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)N1CC[NH+](Cc2ccccn2)CC1 ZINC000408100474 136210506 /nfs/dbraw/zinc/21/05/06/136210506.db2.gz XNZQKHLVSSMQPE-UHFFFAOYSA-N 1 2 220.276 0.278 20 0 BCADLO CC(=O)NC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000602166739 349467040 /nfs/dbraw/zinc/46/70/40/349467040.db2.gz FDGKLWVOZSAXMY-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccnnc1 ZINC000158845436 136214035 /nfs/dbraw/zinc/21/40/35/136214035.db2.gz DHYYWMURAWJKHX-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccnnc1 ZINC000158845436 136214036 /nfs/dbraw/zinc/21/40/36/136214036.db2.gz DHYYWMURAWJKHX-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649867399 398149825 /nfs/dbraw/zinc/14/98/25/398149825.db2.gz IIZUFWZZVCNVJT-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649867399 398149827 /nfs/dbraw/zinc/14/98/27/398149827.db2.gz IIZUFWZZVCNVJT-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)C[C@@H]1C ZINC000649868333 398150884 /nfs/dbraw/zinc/15/08/84/398150884.db2.gz YRIXKHXBPLKGIK-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2(C)CC2)C[C@@H]1C ZINC000649868333 398150886 /nfs/dbraw/zinc/15/08/86/398150886.db2.gz YRIXKHXBPLKGIK-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000649869630 398155316 /nfs/dbraw/zinc/15/53/16/398155316.db2.gz IRBICHWRVOGADV-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000649869630 398155319 /nfs/dbraw/zinc/15/53/19/398155319.db2.gz IRBICHWRVOGADV-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NCc2ccco2)no1 ZINC000357387169 178018994 /nfs/dbraw/zinc/01/89/94/178018994.db2.gz FLTLALGIXGADOF-UHFFFAOYSA-N 1 2 249.270 0.982 20 0 BCADLO Cc1cc(C[NH2+]Cc2cc[nH]n2)n(C)n1 ZINC000336729109 178024466 /nfs/dbraw/zinc/02/44/66/178024466.db2.gz ISZUJEYSPDAUCS-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000649893745 398168686 /nfs/dbraw/zinc/16/86/86/398168686.db2.gz QKQQBFBMGTVAJS-VXNVDRBHSA-N 1 2 210.281 0.631 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000649893745 398168688 /nfs/dbraw/zinc/16/86/88/398168688.db2.gz QKQQBFBMGTVAJS-VXNVDRBHSA-N 1 2 210.281 0.631 20 0 BCADLO CCn1c(C)nnc1C[NH+]1CCC(CO)CC1 ZINC000303261216 136215223 /nfs/dbraw/zinc/21/52/23/136215223.db2.gz OCGVMFWJGOAIKC-UHFFFAOYSA-N 1 2 238.335 0.811 20 0 BCADLO Cc1cc(C[NH2+]Cc2nnn(C)n2)cc(C)c1O ZINC000330821430 178030189 /nfs/dbraw/zinc/03/01/89/178030189.db2.gz DNROJAIOVDGJCJ-UHFFFAOYSA-N 1 2 247.302 0.822 20 0 BCADLO COC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000647955292 398172561 /nfs/dbraw/zinc/17/25/61/398172561.db2.gz MRVSJBXHPAHHDP-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CCCNC2=O)no1 ZINC000336735459 178039601 /nfs/dbraw/zinc/03/96/01/178039601.db2.gz OGHOAIRCMIGHBC-VIFPVBQESA-N 1 2 209.249 0.351 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1nc[nH+]c(N)c1Cl ZINC000308833938 136216799 /nfs/dbraw/zinc/21/67/99/136216799.db2.gz KKTVLRXTIPGONY-PHDIDXHHSA-N 1 2 228.683 0.672 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649906674 398182069 /nfs/dbraw/zinc/18/20/69/398182069.db2.gz ADRIOZKCWIDQCD-QMMMGPOBSA-N 1 2 230.218 0.741 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649906674 398182072 /nfs/dbraw/zinc/18/20/72/398182072.db2.gz ADRIOZKCWIDQCD-QMMMGPOBSA-N 1 2 230.218 0.741 20 0 BCADLO Cc1nc(=NC(=O)C[C@@H](C)n2cc[nH+]c2)n(C)[nH]1 ZINC000649922953 398188717 /nfs/dbraw/zinc/18/87/17/398188717.db2.gz ONOFVRHNMNOIAI-MRVPVSSYSA-N 1 2 248.290 0.332 20 0 BCADLO Cc1cc(N(C)CC2(CO)CC2)nc[nH+]1 ZINC000302495417 178096929 /nfs/dbraw/zinc/09/69/29/178096929.db2.gz LXJOWSDXZJZSLQ-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO Cc1cc(N(C)CCNC(=O)C(C)C)nc[nH+]1 ZINC000301921374 178098332 /nfs/dbraw/zinc/09/83/32/178098332.db2.gz FRQXPUFVKKBMDK-UHFFFAOYSA-N 1 2 236.319 0.993 20 0 BCADLO COCC[N@@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000309245315 136217848 /nfs/dbraw/zinc/21/78/48/136217848.db2.gz BXJCGMRPCIATLI-QMMMGPOBSA-N 1 2 225.296 0.181 20 0 BCADLO COCC[N@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000309245315 136217849 /nfs/dbraw/zinc/21/78/49/136217849.db2.gz BXJCGMRPCIATLI-QMMMGPOBSA-N 1 2 225.296 0.181 20 0 BCADLO Cc1cc(N2CC(NC(=O)C3CC3)C2)nc[nH+]1 ZINC000302395315 178112643 /nfs/dbraw/zinc/11/26/43/178112643.db2.gz IZAOLLLTRWQMNX-UHFFFAOYSA-N 1 2 232.287 0.500 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000558647709 398184790 /nfs/dbraw/zinc/18/47/90/398184790.db2.gz GTJBCQWXQDXGKW-BDAKNGLRSA-N 1 2 209.249 0.177 20 0 BCADLO Cc1cc(N2CC(O)C2)nc(C2CC2)[nH+]1 ZINC000265334821 178113324 /nfs/dbraw/zinc/11/33/24/178113324.db2.gz HEEHJESFSKGAFZ-UHFFFAOYSA-N 1 2 205.261 0.843 20 0 BCADLO CC1(C)CN(Cc2c[nH+]c[nH]2)[C@@H]2COC[C@H]2O1 ZINC000649913228 398185258 /nfs/dbraw/zinc/18/52/58/398185258.db2.gz CIKNSGCSGGNVNV-GHMZBOCLSA-N 1 2 237.303 0.788 20 0 BCADLO CC1(C)CN(Cc2c[nH]c[nH+]2)[C@@H]2COC[C@H]2O1 ZINC000649913228 398185262 /nfs/dbraw/zinc/18/52/62/398185262.db2.gz CIKNSGCSGGNVNV-GHMZBOCLSA-N 1 2 237.303 0.788 20 0 BCADLO CN1CC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000116270823 136218970 /nfs/dbraw/zinc/21/89/70/136218970.db2.gz HWPMTJQIYFAMQW-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO CN1CC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000116270823 136218971 /nfs/dbraw/zinc/21/89/71/136218971.db2.gz HWPMTJQIYFAMQW-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO Cc1cc(N2CC[C@@H](CO)[C@@H]2C)nc[nH+]1 ZINC000362659436 178117711 /nfs/dbraw/zinc/11/77/11/178117711.db2.gz VRDNFPQWSYCHDJ-UWVGGRQHSA-N 1 2 207.277 0.992 20 0 BCADLO C[C@@H](O)[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000162674024 538923944 /nfs/dbraw/zinc/92/39/44/538923944.db2.gz HDCIPZDVKYJXMI-BDAKNGLRSA-N 1 2 247.302 0.570 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO)[C@@H]1CCC[C@@H](OC)C1 ZINC000573093795 398209347 /nfs/dbraw/zinc/20/93/47/398209347.db2.gz IMHIJNUGMBHLHH-GMTAPVOTSA-N 1 2 245.319 0.315 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000051770440 178129599 /nfs/dbraw/zinc/12/95/99/178129599.db2.gz FSSJPHKCMSFPHT-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](O)C2)on1 ZINC000051770440 178129602 /nfs/dbraw/zinc/12/96/02/178129602.db2.gz FSSJPHKCMSFPHT-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)no1 ZINC000106881089 178130209 /nfs/dbraw/zinc/13/02/09/178130209.db2.gz MBXWLPOYKRPKGZ-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCOC2)no1 ZINC000106881089 178130211 /nfs/dbraw/zinc/13/02/11/178130211.db2.gz MBXWLPOYKRPKGZ-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)on1 ZINC000051887955 178130417 /nfs/dbraw/zinc/13/04/17/178130417.db2.gz CLUKUAISEBNYDU-SECBINFHSA-N 1 2 239.275 0.236 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CO)C2)on1 ZINC000051887955 178130420 /nfs/dbraw/zinc/13/04/20/178130420.db2.gz CLUKUAISEBNYDU-SECBINFHSA-N 1 2 239.275 0.236 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000338362785 187327456 /nfs/dbraw/zinc/32/74/56/187327456.db2.gz NHFHNIJYAMRULP-JTQLQIEISA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H](O)C1 ZINC000338362785 187327458 /nfs/dbraw/zinc/32/74/58/187327458.db2.gz NHFHNIJYAMRULP-JTQLQIEISA-N 1 2 238.335 0.990 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)on1 ZINC000340913823 178132442 /nfs/dbraw/zinc/13/24/42/178132442.db2.gz HCVPFZVZDFEODZ-RKDXNWHRSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)on1 ZINC000340913823 178132444 /nfs/dbraw/zinc/13/24/44/178132444.db2.gz HCVPFZVZDFEODZ-RKDXNWHRSA-N 1 2 239.275 0.377 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000338371917 187327674 /nfs/dbraw/zinc/32/76/74/187327674.db2.gz XJESWQJKCJIZHQ-JTQLQIEISA-N 1 2 238.335 0.847 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@H](CO)C1 ZINC000338371917 187327676 /nfs/dbraw/zinc/32/76/76/187327676.db2.gz XJESWQJKCJIZHQ-JTQLQIEISA-N 1 2 238.335 0.847 20 0 BCADLO Cc1cc(NC(=O)N2CC(CC(N)=O)C2)cc[nH+]1 ZINC000281068008 178136130 /nfs/dbraw/zinc/13/61/30/178136130.db2.gz QDXZXUAFYGTJTE-UHFFFAOYSA-N 1 2 248.286 0.729 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161868681 349516983 /nfs/dbraw/zinc/51/69/83/349516983.db2.gz UZXOXIJUACAXKQ-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000119194340 178137454 /nfs/dbraw/zinc/13/74/54/178137454.db2.gz NQCHJLLXCLQTRO-VIFPVBQESA-N 1 2 248.286 0.742 20 0 BCADLO Cc1cc(NC(=O)NCC(=O)NC2CC2)cc[nH+]1 ZINC000119674198 178139392 /nfs/dbraw/zinc/13/93/92/178139392.db2.gz JKZDQWWLCPMVHU-UHFFFAOYSA-N 1 2 248.286 0.790 20 0 BCADLO Cc1cc(NC(=O)NCc2ncn(C)n2)cc[nH+]1 ZINC000092101566 178141327 /nfs/dbraw/zinc/14/13/27/178141327.db2.gz PBAORXQWDILTHP-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCCNC2=O)cc[nH+]1 ZINC000297712210 178141843 /nfs/dbraw/zinc/14/18/43/178141843.db2.gz JBLVZZPCXZXLQY-JTQLQIEISA-N 1 2 248.286 0.790 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCc1c[nH+]c[nH]1 ZINC000331034068 398215444 /nfs/dbraw/zinc/21/54/44/398215444.db2.gz XQLMZBABISHGES-JTQLQIEISA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCc1c[nH]c[nH+]1 ZINC000331034068 398215448 /nfs/dbraw/zinc/21/54/48/398215448.db2.gz XQLMZBABISHGES-JTQLQIEISA-N 1 2 211.265 0.433 20 0 BCADLO CCn1nncc1C[NH+]1CC(C)(C(=O)OC)C1 ZINC000425375984 398219930 /nfs/dbraw/zinc/21/99/30/398219930.db2.gz VPFJIVBDRONASS-UHFFFAOYSA-N 1 2 238.291 0.293 20 0 BCADLO CCCN(CCO)c1nc[nH+]c2c1OCCN2 ZINC000647869274 398218849 /nfs/dbraw/zinc/21/88/49/398218849.db2.gz DUBJOJIBGJJHOJ-UHFFFAOYSA-N 1 2 238.291 0.490 20 0 BCADLO CCCN(CCO)c1[nH+]cnc2c1OCCN2 ZINC000647869274 398218851 /nfs/dbraw/zinc/21/88/51/398218851.db2.gz DUBJOJIBGJJHOJ-UHFFFAOYSA-N 1 2 238.291 0.490 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@H]2CCOC2)nc[nH+]1 ZINC000309701247 178165018 /nfs/dbraw/zinc/16/50/18/178165018.db2.gz MRNJORNCGZNCIS-VHSXEESVSA-N 1 2 223.276 0.594 20 0 BCADLO Cc1cc(NCCNC(=O)N(C)C)nc[nH+]1 ZINC000133329627 178161880 /nfs/dbraw/zinc/16/18/80/178161880.db2.gz BVMXKXVKRDRJBQ-UHFFFAOYSA-N 1 2 223.280 0.468 20 0 BCADLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)ncn1 ZINC000049509205 178185740 /nfs/dbraw/zinc/18/57/40/178185740.db2.gz VEDRWZPGISFHBV-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO C[N@H+](CCO)Cc1nccn1CC(F)(F)F ZINC000264053031 398224134 /nfs/dbraw/zinc/22/41/34/398224134.db2.gz IRUPZRLQATYMHT-UHFFFAOYSA-N 1 2 237.225 0.870 20 0 BCADLO C[N@@H+](CCO)Cc1nccn1CC(F)(F)F ZINC000264053031 398224137 /nfs/dbraw/zinc/22/41/37/398224137.db2.gz IRUPZRLQATYMHT-UHFFFAOYSA-N 1 2 237.225 0.870 20 0 BCADLO Cc1cc(N[C@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040431434 178189816 /nfs/dbraw/zinc/18/98/16/178189816.db2.gz OSHVKSQJEWWQGH-QMMMGPOBSA-N 1 2 227.289 0.384 20 0 BCADLO CC[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492913816 529374888 /nfs/dbraw/zinc/37/48/88/529374888.db2.gz RUZQBGUCHQESHK-WYGGZMRJSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000650051456 398227361 /nfs/dbraw/zinc/22/73/61/398227361.db2.gz GVNAZKCSVSSSGB-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000650051456 398227364 /nfs/dbraw/zinc/22/73/64/398227364.db2.gz GVNAZKCSVSSSGB-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000650051458 398227370 /nfs/dbraw/zinc/22/73/70/398227370.db2.gz GVNAZKCSVSSSGB-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000650051458 398227374 /nfs/dbraw/zinc/22/73/74/398227374.db2.gz GVNAZKCSVSSSGB-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H]1C[N@H+](CCCc2cnn(C)c2)CC(=O)N1 ZINC000650050835 398227381 /nfs/dbraw/zinc/22/73/81/398227381.db2.gz GNJGPCLDENHHNA-SNVBAGLBSA-N 1 2 236.319 0.173 20 0 BCADLO C[C@@H]1C[N@@H+](CCCc2cnn(C)c2)CC(=O)N1 ZINC000650050835 398227385 /nfs/dbraw/zinc/22/73/85/398227385.db2.gz GNJGPCLDENHHNA-SNVBAGLBSA-N 1 2 236.319 0.173 20 0 BCADLO Cn1ccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000334444854 136225662 /nfs/dbraw/zinc/22/56/62/136225662.db2.gz HUEKRJPYGIVTDC-UHFFFAOYSA-N 1 2 217.228 0.800 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)N1CCCC1 ZINC000070819086 361769175 /nfs/dbraw/zinc/76/91/75/361769175.db2.gz VVZQFCNHEQQALD-UHFFFAOYSA-N 1 2 244.320 0.182 20 0 BCADLO CCOCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819093 361769465 /nfs/dbraw/zinc/76/94/65/361769465.db2.gz WCSABEFPNDMTQZ-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276644068 538932887 /nfs/dbraw/zinc/93/28/87/538932887.db2.gz VKQHFLRCRRZJDD-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276644068 538932890 /nfs/dbraw/zinc/93/28/90/538932890.db2.gz VKQHFLRCRRZJDD-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)no1 ZINC000290013364 178231386 /nfs/dbraw/zinc/23/13/86/178231386.db2.gz ZPAFPJHOKFPQJF-RKDXNWHRSA-N 1 2 223.276 0.864 20 0 BCADLO COC[C@@H]([NH2+]Cc1csnn1)[C@@H]1CCCO1 ZINC000336775685 398236736 /nfs/dbraw/zinc/23/67/36/398236736.db2.gz ZQLFBXVBQKOBJE-ZJUUUORDSA-N 1 2 243.332 0.822 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)no1 ZINC000290013361 178258338 /nfs/dbraw/zinc/25/83/38/178258338.db2.gz ZPAFPJHOKFPQJF-IUCAKERBSA-N 1 2 223.276 0.864 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cccn1 ZINC000076420485 398239566 /nfs/dbraw/zinc/23/95/66/398239566.db2.gz BYXMIWBZKHIBRL-SNVBAGLBSA-N 1 2 222.292 0.094 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cccn1 ZINC000076420485 398239570 /nfs/dbraw/zinc/23/95/70/398239570.db2.gz BYXMIWBZKHIBRL-SNVBAGLBSA-N 1 2 222.292 0.094 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCO1 ZINC000281438769 538939187 /nfs/dbraw/zinc/93/91/87/538939187.db2.gz BULAQMBLTYQDRC-UHFFFAOYSA-N 1 2 209.249 0.896 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCO1 ZINC000281438769 538939189 /nfs/dbraw/zinc/93/91/89/538939189.db2.gz BULAQMBLTYQDRC-UHFFFAOYSA-N 1 2 209.249 0.896 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000285647251 538941768 /nfs/dbraw/zinc/94/17/68/538941768.db2.gz MAUUGQIGGOMFTQ-HTQZYQBOSA-N 1 2 210.281 0.585 20 0 BCADLO C[C@H](NCC(F)(F)CO)c1[nH]cc[nH+]1 ZINC000285971098 538942621 /nfs/dbraw/zinc/94/26/21/538942621.db2.gz GCRRBJAUEBOAKG-LURJTMIESA-N 1 2 205.208 0.688 20 0 BCADLO OCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000381539863 398254015 /nfs/dbraw/zinc/25/40/15/398254015.db2.gz HFISGYSLGVQMKZ-UHFFFAOYSA-N 1 2 233.218 0.968 20 0 BCADLO C[C@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)N1C1CC1 ZINC000291199634 538947545 /nfs/dbraw/zinc/94/75/45/538947545.db2.gz UHDMZFYZQLRIAL-QMMMGPOBSA-N 1 2 248.286 0.735 20 0 BCADLO CCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000290083384 538946200 /nfs/dbraw/zinc/94/62/00/538946200.db2.gz DEGYEAMIUDJYGI-UHFFFAOYSA-N 1 2 210.281 0.972 20 0 BCADLO CC(C)CCS(=O)(=O)NCc1c[nH+]cn1C ZINC000290168087 538946230 /nfs/dbraw/zinc/94/62/30/538946230.db2.gz KCFBSGHDKDREQB-UHFFFAOYSA-N 1 2 245.348 0.886 20 0 BCADLO Cn1cnc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291342935 538947637 /nfs/dbraw/zinc/94/76/37/538947637.db2.gz WSGDRGMKZILYQF-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CC(C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000290069439 538946379 /nfs/dbraw/zinc/94/63/79/538946379.db2.gz CKQDKEKXWJDFNH-UHFFFAOYSA-N 1 2 210.281 0.970 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCOC1 ZINC000291268026 538947748 /nfs/dbraw/zinc/94/77/48/538947748.db2.gz PZXGCVYQWPZCEE-VIFPVBQESA-N 1 2 223.276 0.463 20 0 BCADLO COCCCCC(=O)NCc1c[nH+]cn1C ZINC000291351653 538947281 /nfs/dbraw/zinc/94/72/81/538947281.db2.gz XPCXRZGLIJMDMX-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291299169 538947498 /nfs/dbraw/zinc/94/74/98/538947498.db2.gz SFIDMHLRTYAPOH-NXEZZACHSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1[nH]c(=O)ccc1C(=O)NCc1c[nH+]cn1C ZINC000291351717 538947392 /nfs/dbraw/zinc/94/73/92/538947392.db2.gz XPJFFJIRZVFTEZ-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)[nH]n1 ZINC000291509250 538948125 /nfs/dbraw/zinc/94/81/25/538948125.db2.gz TUHZKMIQKYCAAD-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1c(C(=O)NCc2c[nH+]cn2C)cnn1C ZINC000291545969 538948158 /nfs/dbraw/zinc/94/81/58/538948158.db2.gz YDDOXYQAMRZYKV-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCS1 ZINC000291519055 538948171 /nfs/dbraw/zinc/94/81/71/538948171.db2.gz UXECHOCVWDHCNX-SECBINFHSA-N 1 2 225.317 0.932 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626176426 346821397 /nfs/dbraw/zinc/82/13/97/346821397.db2.gz NLJUOVJFLHWFPV-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626176426 346821402 /nfs/dbraw/zinc/82/14/02/346821402.db2.gz NLJUOVJFLHWFPV-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000179333406 538954958 /nfs/dbraw/zinc/95/49/58/538954958.db2.gz BTDMABAXFMPKKJ-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000179333406 538954960 /nfs/dbraw/zinc/95/49/60/538954960.db2.gz BTDMABAXFMPKKJ-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2cnnn2C)CCO1 ZINC000626176989 346836468 /nfs/dbraw/zinc/83/64/68/346836468.db2.gz BTFPRMXNWCQEHT-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2cnnn2C)CCO1 ZINC000626176989 346836472 /nfs/dbraw/zinc/83/64/72/346836472.db2.gz BTFPRMXNWCQEHT-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO Cn1cc(-c2noc(CCn3cc[nH+]c3)n2)cn1 ZINC000074124840 344000539 /nfs/dbraw/zinc/00/05/39/344000539.db2.gz UJJZJFMPLYSTKB-UHFFFAOYSA-N 1 2 244.258 0.909 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473771 398272508 /nfs/dbraw/zinc/27/25/08/398272508.db2.gz DXINSURFKNIPCO-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473771 398272510 /nfs/dbraw/zinc/27/25/10/398272510.db2.gz DXINSURFKNIPCO-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100291 346851485 /nfs/dbraw/zinc/85/14/85/346851485.db2.gz XRUZWKXBKDWCQJ-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172100291 346851487 /nfs/dbraw/zinc/85/14/87/346851487.db2.gz XRUZWKXBKDWCQJ-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO Nc1nc(N)c(CN[C@H]2CCCC2(F)F)c[nH+]1 ZINC000639183785 398271073 /nfs/dbraw/zinc/27/10/73/398271073.db2.gz VPPAJCUCRYTPKC-ZETCQYMHSA-N 1 2 243.261 0.579 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000335330580 136234524 /nfs/dbraw/zinc/23/45/24/136234524.db2.gz DIJFGUWTXIHNJA-VIFPVBQESA-N 1 2 208.261 0.940 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000335330580 136234525 /nfs/dbraw/zinc/23/45/25/136234525.db2.gz DIJFGUWTXIHNJA-VIFPVBQESA-N 1 2 208.261 0.940 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000600116816 342673833 /nfs/dbraw/zinc/67/38/33/342673833.db2.gz DNMPCNZPMNNGJL-VIFPVBQESA-N 1 2 239.275 0.092 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000064030332 349609552 /nfs/dbraw/zinc/60/95/52/349609552.db2.gz WSVHROHXOIJKHX-AOOOYVTPSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000064030332 349609556 /nfs/dbraw/zinc/60/95/56/349609556.db2.gz WSVHROHXOIJKHX-AOOOYVTPSA-N 1 2 226.320 0.716 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000044595767 342690686 /nfs/dbraw/zinc/69/06/86/342690686.db2.gz IAEQCUOYKJLNHP-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO CCNC(=O)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600228993 342715954 /nfs/dbraw/zinc/71/59/54/342715954.db2.gz JOZDPFHTBVHEOH-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000162239338 349616531 /nfs/dbraw/zinc/61/65/31/349616531.db2.gz RSMMSJWFFSRYGW-RKDXNWHRSA-N 1 2 223.276 0.793 20 0 BCADLO CCC[N@H+](CCc1cnccn1)CC(=O)OC ZINC000402610439 342753093 /nfs/dbraw/zinc/75/30/93/342753093.db2.gz OUVLVFYVVYDCHG-UHFFFAOYSA-N 1 2 237.303 0.904 20 0 BCADLO CCC[N@@H+](CCc1cnccn1)CC(=O)OC ZINC000402610439 342753094 /nfs/dbraw/zinc/75/30/94/342753094.db2.gz OUVLVFYVVYDCHG-UHFFFAOYSA-N 1 2 237.303 0.904 20 0 BCADLO CC[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069580 529388630 /nfs/dbraw/zinc/38/86/30/529388630.db2.gz IDTXRTQNDFMCNG-MPJRPATESA-N 1 2 209.249 0.310 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)N1 ZINC000649490599 398287618 /nfs/dbraw/zinc/28/76/18/398287618.db2.gz LCPREWDDWZUTMU-QWRGUYRKSA-N 1 2 248.330 0.868 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)N1 ZINC000649490599 398287621 /nfs/dbraw/zinc/28/76/21/398287621.db2.gz LCPREWDDWZUTMU-QWRGUYRKSA-N 1 2 248.330 0.868 20 0 BCADLO CCc1cc(N(C)CC(=O)NC)nc(C)[nH+]1 ZINC000607722907 342780957 /nfs/dbraw/zinc/78/09/57/342780957.db2.gz DMGVPWUGBJYMCU-UHFFFAOYSA-N 1 2 222.292 0.530 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1nccs1 ZINC000583968263 342782635 /nfs/dbraw/zinc/78/26/35/342782635.db2.gz BEUXXSIEAKTJSU-UHFFFAOYSA-N 1 2 222.273 0.656 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1[nH]cc[nH+]1 ZINC000607732533 342783331 /nfs/dbraw/zinc/78/33/31/342783331.db2.gz LQIPLUSXVJEGCL-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CC(C)OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000576816031 365687520 /nfs/dbraw/zinc/68/75/20/365687520.db2.gz HDYWZTUZRCPXCG-JTQLQIEISA-N 1 2 213.281 0.285 20 0 BCADLO CCc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000624541061 344003109 /nfs/dbraw/zinc/00/31/09/344003109.db2.gz LCIIRIQKNCDENO-XWEPSHTISA-N 1 2 220.276 0.715 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)[C@H](C)C1 ZINC000336273430 342796970 /nfs/dbraw/zinc/79/69/70/342796970.db2.gz MFBOQRGSTZRXPG-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2(C)CC2)[C@H](C)C1 ZINC000336273430 342796971 /nfs/dbraw/zinc/79/69/71/342796971.db2.gz MFBOQRGSTZRXPG-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO CC1(C)C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000336553879 342809553 /nfs/dbraw/zinc/80/95/53/342809553.db2.gz VUCZFGHHFMXAKV-LLVKDONJSA-N 1 2 238.331 0.861 20 0 BCADLO CC1(C)C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000336553879 342809555 /nfs/dbraw/zinc/80/95/55/342809555.db2.gz VUCZFGHHFMXAKV-LLVKDONJSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@H](COC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868517 529392953 /nfs/dbraw/zinc/39/29/53/529392953.db2.gz SQRQXLRFVHOOPF-XRVBUDJMSA-N 1 2 223.276 0.964 20 0 BCADLO C[NH+](C)[C@H](CNS(C)(=O)=O)c1ccco1 ZINC000036078801 342811588 /nfs/dbraw/zinc/81/15/88/342811588.db2.gz INGCRWLAZUFZSA-MRVPVSSYSA-N 1 2 232.305 0.432 20 0 BCADLO CN(C[C@H]1C[C@@H](O)C1)c1[nH+]cnc2c1cnn2C ZINC000624686740 342816229 /nfs/dbraw/zinc/81/62/29/342816229.db2.gz PGBUAQFBPTVUFN-DTORHVGOSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C)CC1 ZINC000348808232 136239312 /nfs/dbraw/zinc/23/93/12/136239312.db2.gz ICVNKGLIIBRISB-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C)CC1 ZINC000348808232 136239313 /nfs/dbraw/zinc/23/93/13/136239313.db2.gz ICVNKGLIIBRISB-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO NC(=O)C[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000624699104 342819883 /nfs/dbraw/zinc/81/98/83/342819883.db2.gz UVYYDDJEOHKQHS-SECBINFHSA-N 1 2 221.260 0.162 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC=CCC1 ZINC000624728494 342823351 /nfs/dbraw/zinc/82/33/51/342823351.db2.gz AFEFMPAFPAIZQA-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC=CCC1 ZINC000624728494 342823353 /nfs/dbraw/zinc/82/33/53/342823353.db2.gz AFEFMPAFPAIZQA-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624739350 342824666 /nfs/dbraw/zinc/82/46/66/342824666.db2.gz PERTUCBFCPIARY-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624739350 342824667 /nfs/dbraw/zinc/82/46/67/342824667.db2.gz PERTUCBFCPIARY-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2ccon2)C1=O ZINC000380206596 538987600 /nfs/dbraw/zinc/98/76/00/538987600.db2.gz WPEVKGLROWXQBA-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO COCc1nsc(NC[C@@H](C)[NH+](C)C)n1 ZINC000380248474 538988016 /nfs/dbraw/zinc/98/80/16/538988016.db2.gz ORRSMPHANRKRMH-SSDOTTSWSA-N 1 2 230.337 0.468 20 0 BCADLO C[N@H+](CC(F)F)C1(CO)CCOCC1 ZINC000190997012 538990725 /nfs/dbraw/zinc/99/07/25/538990725.db2.gz YKDDFENXPYZKBE-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO C[N@@H+](CC(F)F)C1(CO)CCOCC1 ZINC000190997012 538990726 /nfs/dbraw/zinc/99/07/26/538990726.db2.gz YKDDFENXPYZKBE-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO c1cc2c(nc[nH+]c2NCc2c[nH]nn2)[nH]1 ZINC000380735209 538992142 /nfs/dbraw/zinc/99/21/42/538992142.db2.gz CTTCHOMMVMCDAU-UHFFFAOYSA-N 1 2 215.220 0.110 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000634414987 361934303 /nfs/dbraw/zinc/93/43/03/361934303.db2.gz BFEYWSYKSKCQPJ-PEXQALLHSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000634414987 361934312 /nfs/dbraw/zinc/93/43/12/361934312.db2.gz BFEYWSYKSKCQPJ-PEXQALLHSA-N 1 2 249.314 0.544 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2CC2)[nH+]1 ZINC000379930453 538981977 /nfs/dbraw/zinc/98/19/77/538981977.db2.gz OFNVRSTXULAFPM-UHFFFAOYSA-N 1 2 207.281 0.490 20 0 BCADLO Cc1nc(NCC2CC2)nc(N(C)C)[nH+]1 ZINC000379930453 538981979 /nfs/dbraw/zinc/98/19/79/538981979.db2.gz OFNVRSTXULAFPM-UHFFFAOYSA-N 1 2 207.281 0.490 20 0 BCADLO Cn1ccnc1CNc1cc[nH+]cc1F ZINC000379976175 538983410 /nfs/dbraw/zinc/98/34/10/538983410.db2.gz DLZMYWCBRNEJKT-UHFFFAOYSA-N 1 2 206.224 0.988 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1=CCCCC1 ZINC000189538619 538983930 /nfs/dbraw/zinc/98/39/30/538983930.db2.gz HMJIEBGSAQMVRB-ZDUSSCGKSA-N 1 2 249.358 0.603 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2cn(C)cn2)[nH]1 ZINC000381314427 538998095 /nfs/dbraw/zinc/99/80/95/538998095.db2.gz BCZFUUBKIVRJSJ-UHFFFAOYSA-N 1 2 220.280 0.179 20 0 BCADLO COC[C@@H](C[NH2+][C@@H](C)c1nc(C)no1)OC ZINC000381329389 538998127 /nfs/dbraw/zinc/99/81/27/538998127.db2.gz SLBAIALSFFQQGS-IONNQARKSA-N 1 2 229.280 0.690 20 0 BCADLO CCN1CC[N@@H+]([C@@H](C)COC)CC1=O ZINC000348822786 136240842 /nfs/dbraw/zinc/24/08/42/136240842.db2.gz QMACGVYNRFWQKK-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@H+]([C@@H](C)COC)CC1=O ZINC000348822786 136240843 /nfs/dbraw/zinc/24/08/43/136240843.db2.gz QMACGVYNRFWQKK-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO Nc1ccnc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000390299095 539021138 /nfs/dbraw/zinc/02/11/38/539021138.db2.gz BVGVUACZTXWEQS-SSDOTTSWSA-N 1 2 228.246 0.976 20 0 BCADLO Nc1ccnc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000390299095 539021140 /nfs/dbraw/zinc/02/11/40/539021140.db2.gz BVGVUACZTXWEQS-SSDOTTSWSA-N 1 2 228.246 0.976 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000683521112 488183633 /nfs/dbraw/zinc/18/36/33/488183633.db2.gz CPCRAPIXGAASDG-NSHDSACASA-N 1 2 239.319 0.555 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000683521112 488183637 /nfs/dbraw/zinc/18/36/37/488183637.db2.gz CPCRAPIXGAASDG-NSHDSACASA-N 1 2 239.319 0.555 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000683521112 488183640 /nfs/dbraw/zinc/18/36/40/488183640.db2.gz CPCRAPIXGAASDG-NSHDSACASA-N 1 2 239.319 0.555 20 0 BCADLO CCc1nnc([C@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000390656078 539026989 /nfs/dbraw/zinc/02/69/89/539026989.db2.gz QSBNFAUBUDXUQH-ZETCQYMHSA-N 1 2 220.280 0.941 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C23CC(C2)C3)CCO1 ZINC000625025613 342843570 /nfs/dbraw/zinc/84/35/70/342843570.db2.gz KUBXFWAWQYMEMY-ZBOXLXRLSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C23CC(C2)C3)CCO1 ZINC000625025613 342843571 /nfs/dbraw/zinc/84/35/71/342843571.db2.gz KUBXFWAWQYMEMY-ZBOXLXRLSA-N 1 2 238.331 0.623 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)C2)s1 ZINC000391731147 539027736 /nfs/dbraw/zinc/02/77/36/539027736.db2.gz DBQOSOALXXPQCV-QMMMGPOBSA-N 1 2 227.333 0.915 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](CO)C2)s1 ZINC000391731147 539027737 /nfs/dbraw/zinc/02/77/37/539027737.db2.gz DBQOSOALXXPQCV-QMMMGPOBSA-N 1 2 227.333 0.915 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000387718353 539013958 /nfs/dbraw/zinc/01/39/58/539013958.db2.gz AEFWRBXVAKVBTI-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000387718353 539013959 /nfs/dbraw/zinc/01/39/59/539013959.db2.gz AEFWRBXVAKVBTI-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO CCCn1cc(C[NH2+]Cc2cn(C)nn2)cn1 ZINC000389822507 539017616 /nfs/dbraw/zinc/01/76/16/539017616.db2.gz LNDBTVBOFRRWMI-UHFFFAOYSA-N 1 2 234.307 0.711 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2n[nH]c(=O)s2)C1 ZINC000367062211 136242498 /nfs/dbraw/zinc/24/24/98/136242498.db2.gz KWXRGDSYHHGUEA-ZETCQYMHSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2n[nH]c(=O)s2)C1 ZINC000367062211 136242499 /nfs/dbraw/zinc/24/24/99/136242499.db2.gz KWXRGDSYHHGUEA-ZETCQYMHSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@@H]1COCC[N@H+](CC2N=NC(=O)S2)C1 ZINC000367062211 136242500 /nfs/dbraw/zinc/24/25/00/136242500.db2.gz KWXRGDSYHHGUEA-ZETCQYMHSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@@H]1COCC[N@@H+](CC2N=NC(=O)S2)C1 ZINC000367062211 136242501 /nfs/dbraw/zinc/24/25/01/136242501.db2.gz KWXRGDSYHHGUEA-ZETCQYMHSA-N 1 2 229.305 0.712 20 0 BCADLO Cc1cc(C[N@H+](C)CCS(C)(=O)=O)ccn1 ZINC000527533416 262861180 /nfs/dbraw/zinc/86/11/80/262861180.db2.gz JIOCTWQGKATDDD-UHFFFAOYSA-N 1 2 242.344 0.866 20 0 BCADLO Cc1cc(C[N@@H+](C)CCS(C)(=O)=O)ccn1 ZINC000527533416 262861182 /nfs/dbraw/zinc/86/11/82/262861182.db2.gz JIOCTWQGKATDDD-UHFFFAOYSA-N 1 2 242.344 0.866 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000351251412 136244123 /nfs/dbraw/zinc/24/41/23/136244123.db2.gz LMPTYJVZPWJDHT-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000351251412 136244124 /nfs/dbraw/zinc/24/41/24/136244124.db2.gz LMPTYJVZPWJDHT-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1cn[nH]c1C ZINC000091987457 398304783 /nfs/dbraw/zinc/30/47/83/398304783.db2.gz QTCLXCHPSVPJHN-MRVPVSSYSA-N 1 2 225.292 0.959 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cn[nH]c1C ZINC000091987457 398304785 /nfs/dbraw/zinc/30/47/85/398304785.db2.gz QTCLXCHPSVPJHN-MRVPVSSYSA-N 1 2 225.292 0.959 20 0 BCADLO O=C(C[NH+]1CCCCC1)Nc1nncs1 ZINC000014193511 342878101 /nfs/dbraw/zinc/87/81/01/342878101.db2.gz PZUKDMPONQGJST-UHFFFAOYSA-N 1 2 226.305 0.963 20 0 BCADLO CCO[C@@H](C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000625147413 342894317 /nfs/dbraw/zinc/89/43/17/342894317.db2.gz QNYZJGFUZIEVLD-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO CCO[C@@H](C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000625147413 342894318 /nfs/dbraw/zinc/89/43/18/342894318.db2.gz QNYZJGFUZIEVLD-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000331878785 398312761 /nfs/dbraw/zinc/31/27/61/398312761.db2.gz LVHVSYFYRLYIBV-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO C=Cn1cc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000331878785 398312762 /nfs/dbraw/zinc/31/27/62/398312762.db2.gz LVHVSYFYRLYIBV-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO C[C@@H](N(C)C(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000394845162 342887801 /nfs/dbraw/zinc/88/78/01/342887801.db2.gz HZHAPYHWRQSZNG-SNVBAGLBSA-N 1 2 239.319 0.891 20 0 BCADLO C[C@H]1CCCN1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142627 342890298 /nfs/dbraw/zinc/89/02/98/342890298.db2.gz GHXXXNGWXNXPRX-QMMMGPOBSA-N 1 2 244.320 0.228 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H](O)CC1(O)CCC1 ZINC000625187207 342905031 /nfs/dbraw/zinc/90/50/31/342905031.db2.gz YYNWVPAUQRIPAP-NSHDSACASA-N 1 2 240.303 0.772 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H](O)CC1(O)CCC1 ZINC000625187207 342905033 /nfs/dbraw/zinc/90/50/33/342905033.db2.gz YYNWVPAUQRIPAP-NSHDSACASA-N 1 2 240.303 0.772 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCn1cccn1 ZINC000042351624 398323084 /nfs/dbraw/zinc/32/30/84/398323084.db2.gz OFXCRTBPOBYNOO-UHFFFAOYSA-N 1 2 205.265 0.704 20 0 BCADLO c1cn(C2CN(c3ncccn3)C2)c[nH+]1 ZINC000533884158 398323136 /nfs/dbraw/zinc/32/31/36/398323136.db2.gz AOWUWJZFZAKRLT-UHFFFAOYSA-N 1 2 201.233 0.734 20 0 BCADLO CCc1cc(N[C@@H]2C(=O)NCC2(C)C)nc[nH+]1 ZINC000631370040 342900801 /nfs/dbraw/zinc/90/08/01/342900801.db2.gz WRPSYYNWYFBYKA-SNVBAGLBSA-N 1 2 234.303 0.976 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCOC[C@H]1CO ZINC000683526804 488186470 /nfs/dbraw/zinc/18/64/70/488186470.db2.gz GFFCPEUJRMIIJR-LLVKDONJSA-N 1 2 240.303 0.527 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCOC[C@H]1CO ZINC000683526804 488186476 /nfs/dbraw/zinc/18/64/76/488186476.db2.gz GFFCPEUJRMIIJR-LLVKDONJSA-N 1 2 240.303 0.527 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC(=O)N(C)C ZINC000351619723 136247803 /nfs/dbraw/zinc/24/78/03/136247803.db2.gz KXOYVFHDECIQJV-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC(=O)N(C)C ZINC000351619723 136247804 /nfs/dbraw/zinc/24/78/04/136247804.db2.gz KXOYVFHDECIQJV-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO COC[C@@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000602636283 349650655 /nfs/dbraw/zinc/65/06/55/349650655.db2.gz UCWLOINABSIIPJ-SNVBAGLBSA-N 1 2 247.360 0.907 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000602633308 349649757 /nfs/dbraw/zinc/64/97/57/349649757.db2.gz GZECPEOPHGJYKB-LPEHRKFASA-N 1 2 231.292 0.189 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000047953374 342930633 /nfs/dbraw/zinc/93/06/33/342930633.db2.gz FSBIMHYAFMZIMR-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000047953374 342930634 /nfs/dbraw/zinc/93/06/34/342930634.db2.gz FSBIMHYAFMZIMR-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000227790417 536638029 /nfs/dbraw/zinc/63/80/29/536638029.db2.gz YTVSLZVAWYPXIB-DJLDLDEBSA-N 1 2 215.293 0.951 20 0 BCADLO CC(C)(NC(=O)c1cnns1)c1[nH]cc[nH+]1 ZINC000565104653 323020526 /nfs/dbraw/zinc/02/05/26/323020526.db2.gz JNGHUTFVRZBJDO-UHFFFAOYSA-N 1 2 237.288 0.926 20 0 BCADLO COC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000602637395 349651300 /nfs/dbraw/zinc/65/13/00/349651300.db2.gz XOFAXNOZTJRCPD-VLEAKVRGSA-N 1 2 227.304 0.810 20 0 BCADLO COC[C@@H]([NH2+]CCC[C@H]1CCO1)C(=O)OC ZINC000602637740 349651499 /nfs/dbraw/zinc/65/14/99/349651499.db2.gz ZKHMWJIKMGUBPS-VHSXEESVSA-N 1 2 231.292 0.333 20 0 BCADLO COC[C@@H]([NH2+]CCC[C@@H]1CCO1)C(=O)OC ZINC000602637738 349651563 /nfs/dbraw/zinc/65/15/63/349651563.db2.gz ZKHMWJIKMGUBPS-NXEZZACHSA-N 1 2 231.292 0.333 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1ccnn1C ZINC000230886044 349653104 /nfs/dbraw/zinc/65/31/04/349653104.db2.gz NIGBHDWGTGRJNS-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1ccnn1C ZINC000230886044 349653109 /nfs/dbraw/zinc/65/31/09/349653109.db2.gz NIGBHDWGTGRJNS-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CCOC(=O)C1(C)CC([NH2+][C@H](C)C(=O)OC)C1 ZINC000602644908 349656962 /nfs/dbraw/zinc/65/69/62/349656962.db2.gz PENRXRXUGFGCDF-YDNLMGDJSA-N 1 2 243.303 0.869 20 0 BCADLO COC(C)(C)CNC(=O)NCc1c[nH+]cn1C ZINC000357899416 398337714 /nfs/dbraw/zinc/33/77/14/398337714.db2.gz UVWUCCGCPXHEIG-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H](C)O ZINC000493810975 529457072 /nfs/dbraw/zinc/45/70/72/529457072.db2.gz AILPWZHRIUMEEL-HXQNXIEXSA-N 1 2 223.276 0.699 20 0 BCADLO Cc1nc(N(C)C[C@H](O)CO)c(C)c(C)[nH+]1 ZINC000354850770 398330659 /nfs/dbraw/zinc/33/06/59/398330659.db2.gz UBHYCYYIDWUXJU-JTQLQIEISA-N 1 2 225.292 0.191 20 0 BCADLO CC(C)n1cc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355195283 398331742 /nfs/dbraw/zinc/33/17/42/398331742.db2.gz XLRIUAUXWPHSLB-LLVKDONJSA-N 1 2 236.319 0.784 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355195283 398331743 /nfs/dbraw/zinc/33/17/43/398331743.db2.gz XLRIUAUXWPHSLB-LLVKDONJSA-N 1 2 236.319 0.784 20 0 BCADLO C[C@@H]1CC[C@@H]2C(=O)N(CC[NH+](C)C)N=C12 ZINC000634590374 342937632 /nfs/dbraw/zinc/93/76/32/342937632.db2.gz XMOPNRODNLBXLA-BDAKNGLRSA-N 1 2 209.293 0.792 20 0 BCADLO C[C@@H]1CCc2c(=O)n(CC[NH+](C)C)[nH]c21 ZINC000634590374 342937633 /nfs/dbraw/zinc/93/76/33/342937633.db2.gz XMOPNRODNLBXLA-BDAKNGLRSA-N 1 2 209.293 0.792 20 0 BCADLO C[C@H]1CC[C@@H]2C(=O)N(CC[NH+](C)C)N=C12 ZINC000634590376 342937691 /nfs/dbraw/zinc/93/76/91/342937691.db2.gz XMOPNRODNLBXLA-IUCAKERBSA-N 1 2 209.293 0.792 20 0 BCADLO C[C@H]1CCc2c(=O)n(CC[NH+](C)C)[nH]c21 ZINC000634590376 342937693 /nfs/dbraw/zinc/93/76/93/342937693.db2.gz XMOPNRODNLBXLA-IUCAKERBSA-N 1 2 209.293 0.792 20 0 BCADLO CC[C@@H](Sc1nc(N)cc(C)[nH+]1)C(N)=O ZINC000112259298 346887406 /nfs/dbraw/zinc/88/74/06/346887406.db2.gz RCWLZHWPTQZUBJ-ZCFIWIBFSA-N 1 2 226.305 0.723 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](O)C(C)(C)C1 ZINC000279105570 398344555 /nfs/dbraw/zinc/34/45/55/398344555.db2.gz QHVHFSHQOYLUFH-VIFPVBQESA-N 1 2 247.302 0.570 20 0 BCADLO COC(=O)[C@H]1CCCCN1Cc1c[nH+]cn1C ZINC000149142460 398344942 /nfs/dbraw/zinc/34/49/42/398344942.db2.gz XXWVAELTMZUXHY-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351815235 136255123 /nfs/dbraw/zinc/25/51/23/136255123.db2.gz VSIRILQWARKHOO-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351815235 136255124 /nfs/dbraw/zinc/25/51/24/136255124.db2.gz VSIRILQWARKHOO-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCC[C@@H](C)O ZINC000493650978 529553697 /nfs/dbraw/zinc/55/36/97/529553697.db2.gz KLWHSKAYNUCBDZ-ORAHPGNNSA-N 1 2 237.303 0.803 20 0 BCADLO O=C(c1cc(=O)[nH]cn1)N1CC(n2cc[nH+]c2)C1 ZINC000625617361 344020152 /nfs/dbraw/zinc/02/01/52/344020152.db2.gz ZMRBLLGTVPRBPV-UHFFFAOYSA-N 1 2 245.242 0.076 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NOCCCO ZINC000493492792 529555145 /nfs/dbraw/zinc/55/51/45/529555145.db2.gz RVHJTAPUYPBOFQ-SNAWJCMRSA-N 1 2 239.275 0.346 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354438719 187210518 /nfs/dbraw/zinc/21/05/18/187210518.db2.gz PBPDTVIHDPDWSC-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](C1CC1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634597716 342975334 /nfs/dbraw/zinc/97/53/34/342975334.db2.gz RYURLSXTDFONPM-CBAPKCEASA-N 1 2 207.277 0.593 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N=c1nc[nH]n1C ZINC000492540679 529558959 /nfs/dbraw/zinc/55/89/59/529558959.db2.gz WCXIIFVORZFCEM-PLNGDYQASA-N 1 2 246.274 0.105 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC1(CO)CC1 ZINC000493502704 529559036 /nfs/dbraw/zinc/55/90/36/529559036.db2.gz YPBVXUMFNOTEOE-ARJAWSKDSA-N 1 2 235.287 0.557 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000493569599 529561028 /nfs/dbraw/zinc/56/10/28/529561028.db2.gz UUARHKXPTKSHNU-HCKBMEEHSA-N 1 2 249.314 0.946 20 0 BCADLO COC[C@@H]([NH2+]Cc1nnnn1C)c1ccccc1 ZINC000341630220 536722460 /nfs/dbraw/zinc/72/24/60/536722460.db2.gz ARPFRIAAJYMFJZ-LLVKDONJSA-N 1 2 247.302 0.687 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516935806 259336643 /nfs/dbraw/zinc/33/66/43/259336643.db2.gz KBFDUGWLVRJHQN-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516935806 259336645 /nfs/dbraw/zinc/33/66/45/259336645.db2.gz KBFDUGWLVRJHQN-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000493248104 529573421 /nfs/dbraw/zinc/57/34/21/529573421.db2.gz FEAQGGKJSRAXDR-XRVBUDJMSA-N 1 2 237.259 0.491 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCN(C#N)CC ZINC000602796628 349737988 /nfs/dbraw/zinc/73/79/88/349737988.db2.gz DSXVHLLJOFQRGA-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCN(C#N)CC ZINC000602796628 349737989 /nfs/dbraw/zinc/73/79/89/349737989.db2.gz DSXVHLLJOFQRGA-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CC[NH+]1CCC(n2[nH]c(COC)cc2=O)CC1 ZINC000634602032 342997244 /nfs/dbraw/zinc/99/72/44/342997244.db2.gz DSZMTJHVNBTJQA-UHFFFAOYSA-N 1 2 239.319 0.705 20 0 BCADLO CCN(C#N)CCN(C)Cc1[nH+]ccn1C ZINC000602798350 349740119 /nfs/dbraw/zinc/74/01/19/349740119.db2.gz YXSASCRBMAJWHI-UHFFFAOYSA-N 1 2 221.308 0.655 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000602804150 349743751 /nfs/dbraw/zinc/74/37/51/349743751.db2.gz JCBPHTCCCLMOHF-BONVTDFDSA-N 1 2 231.365 0.488 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000602804150 349743753 /nfs/dbraw/zinc/74/37/53/349743753.db2.gz JCBPHTCCCLMOHF-BONVTDFDSA-N 1 2 231.365 0.488 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCc1cnccn1 ZINC000602771437 349725963 /nfs/dbraw/zinc/72/59/63/349725963.db2.gz AJFYNISMKCVQBY-UHFFFAOYSA-N 1 2 223.276 0.560 20 0 BCADLO CCN(C#N)CCN(C)CC[NH+]1CCOCC1 ZINC000602774460 349728457 /nfs/dbraw/zinc/72/84/57/349728457.db2.gz ZTMJJSADVWUIIY-UHFFFAOYSA-N 1 2 240.351 0.053 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000602764373 349734226 /nfs/dbraw/zinc/73/42/26/349734226.db2.gz AMWQLJPPTGKEHT-MNOVXSKESA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000602764373 349734229 /nfs/dbraw/zinc/73/42/29/349734229.db2.gz AMWQLJPPTGKEHT-MNOVXSKESA-N 1 2 211.309 0.899 20 0 BCADLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360821687 187217462 /nfs/dbraw/zinc/21/74/62/187217462.db2.gz ZQFHQXGAAHKGJB-CIUDSAMLSA-N 1 2 248.273 0.261 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000602818417 349759966 /nfs/dbraw/zinc/75/99/66/349759966.db2.gz DHLZSRULJXVCQK-BDJLRTHQSA-N 1 2 243.376 0.490 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000602818417 349759971 /nfs/dbraw/zinc/75/99/71/349759971.db2.gz DHLZSRULJXVCQK-BDJLRTHQSA-N 1 2 243.376 0.490 20 0 BCADLO CC1(C)CO[C@H](C[NH+]2CCS(=O)CC2)C1 ZINC000602782727 349748491 /nfs/dbraw/zinc/74/84/91/349748491.db2.gz HTSDVXROBIZVFA-JTQLQIEISA-N 1 2 231.361 0.866 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCN(C#N)CC ZINC000602784627 349749765 /nfs/dbraw/zinc/74/97/65/349749765.db2.gz USUURMXPTJCFHH-LLVKDONJSA-N 1 2 211.309 0.900 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCN(C#N)CC ZINC000602784627 349749768 /nfs/dbraw/zinc/74/97/68/349749768.db2.gz USUURMXPTJCFHH-LLVKDONJSA-N 1 2 211.309 0.900 20 0 BCADLO O=c1c2c([nH]n1CC(F)F)CC[NH2+]C2 ZINC000634622685 343023237 /nfs/dbraw/zinc/02/32/37/343023237.db2.gz MCQWOOMXNZMOKZ-YFKPBYRVSA-N 1 2 203.192 0.059 20 0 BCADLO CCN(C#N)CC[N@H+](CCO)Cc1cccnc1 ZINC000602788547 349751461 /nfs/dbraw/zinc/75/14/61/349751461.db2.gz SMPFSVJTTXQNTM-UHFFFAOYSA-N 1 2 248.330 0.679 20 0 BCADLO CCN(C#N)CC[N@@H+](CCO)Cc1cccnc1 ZINC000602788547 349751464 /nfs/dbraw/zinc/75/14/64/349751464.db2.gz SMPFSVJTTXQNTM-UHFFFAOYSA-N 1 2 248.330 0.679 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000602814533 349756737 /nfs/dbraw/zinc/75/67/37/349756737.db2.gz DUMBSTHNVWDCJG-RYUDHWBXSA-N 1 2 241.335 0.525 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000602814533 349756740 /nfs/dbraw/zinc/75/67/40/349756740.db2.gz DUMBSTHNVWDCJG-RYUDHWBXSA-N 1 2 241.335 0.525 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000602814648 349756999 /nfs/dbraw/zinc/75/69/99/349756999.db2.gz LPWXJHAERKEXPS-SECBINFHSA-N 1 2 222.296 0.269 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000602814531 349757057 /nfs/dbraw/zinc/75/70/57/349757057.db2.gz DUMBSTHNVWDCJG-NEPJUHHUSA-N 1 2 241.335 0.525 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000602814531 349757058 /nfs/dbraw/zinc/75/70/58/349757058.db2.gz DUMBSTHNVWDCJG-NEPJUHHUSA-N 1 2 241.335 0.525 20 0 BCADLO CC(C)OC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000048561802 343040404 /nfs/dbraw/zinc/04/04/04/343040404.db2.gz DLMFVEVFXBPPKI-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO CC(=O)NCCC[N@@H+](C)Cc1nccn1C ZINC000117886465 187221000 /nfs/dbraw/zinc/22/10/00/187221000.db2.gz FPFMOSUFTGFDTI-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CC(=O)NCCC[N@H+](C)Cc1nccn1C ZINC000117886465 187221001 /nfs/dbraw/zinc/22/10/01/187221001.db2.gz FPFMOSUFTGFDTI-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO C[C@@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(F)(F)F ZINC000634631552 343042046 /nfs/dbraw/zinc/04/20/46/343042046.db2.gz XECASFKHMGGXBR-RITPCOANSA-N 1 2 235.209 0.745 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000602837915 349777852 /nfs/dbraw/zinc/77/78/52/349777852.db2.gz BZURWNVFCNPNIY-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CN(C)C(=O)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000602837915 349777854 /nfs/dbraw/zinc/77/78/54/349777854.db2.gz BZURWNVFCNPNIY-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000335909270 136261672 /nfs/dbraw/zinc/26/16/72/136261672.db2.gz QBHJRWCCYGFDGZ-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO O=c1c2c([nH]n1C[C@@H]1CCSC1)CC[NH2+]C2 ZINC000634628632 343036118 /nfs/dbraw/zinc/03/61/18/343036118.db2.gz BWVCRKYRKGDWCL-DTWKUNHWSA-N 1 2 239.344 0.547 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC1CC1 ZINC000043310452 343046115 /nfs/dbraw/zinc/04/61/15/343046115.db2.gz MQSVFCLRGJXYHF-UHFFFAOYSA-N 1 2 208.265 0.592 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccnn1C ZINC000235508723 343047728 /nfs/dbraw/zinc/04/77/28/343047728.db2.gz ZDQQGDXAEHCRSG-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000375802633 187224643 /nfs/dbraw/zinc/22/46/43/187224643.db2.gz VKFZIONAECVBEZ-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000375802633 187224645 /nfs/dbraw/zinc/22/46/45/187224645.db2.gz VKFZIONAECVBEZ-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000200163579 346922345 /nfs/dbraw/zinc/92/23/45/346922345.db2.gz OKJIZACCHSUYPL-DTWKUNHWSA-N 1 2 200.282 0.217 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000200163579 346922348 /nfs/dbraw/zinc/92/23/48/346922348.db2.gz OKJIZACCHSUYPL-DTWKUNHWSA-N 1 2 200.282 0.217 20 0 BCADLO CCc1cc(N[C@@H](C)CC(N)=O)nc[nH+]1 ZINC000127211803 344026090 /nfs/dbraw/zinc/02/60/90/344026090.db2.gz YNKUNLXUZYNQFK-ZETCQYMHSA-N 1 2 208.265 0.715 20 0 BCADLO CCOC(=O)CCCC[N@@H+]1CCN(C)C(=O)C1 ZINC000119478584 343079018 /nfs/dbraw/zinc/07/90/18/343079018.db2.gz JILVXJVXNBIHKC-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)CCCC[N@H+]1CCN(C)C(=O)C1 ZINC000119478584 343079019 /nfs/dbraw/zinc/07/90/19/343079019.db2.gz JILVXJVXNBIHKC-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CO[C@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618149549 346925673 /nfs/dbraw/zinc/92/56/73/346925673.db2.gz UHRUCQQNBGCMBR-MRVPVSSYSA-N 1 2 225.292 0.838 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1ccncc1F ZINC000576872333 365708744 /nfs/dbraw/zinc/70/87/44/365708744.db2.gz PBGUZXPJHDAJHI-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1ccncc1F ZINC000576872333 365708749 /nfs/dbraw/zinc/70/87/49/365708749.db2.gz PBGUZXPJHDAJHI-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO Cn1ccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)n1 ZINC000634668535 343095710 /nfs/dbraw/zinc/09/57/10/343095710.db2.gz AGDYOBQXGCSWGN-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO Cn1ccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)n1 ZINC000634668535 343095712 /nfs/dbraw/zinc/09/57/12/343095712.db2.gz AGDYOBQXGCSWGN-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000640995804 362104617 /nfs/dbraw/zinc/10/46/17/362104617.db2.gz SBEHHRIJMHAQBT-BQBZGAKWSA-N 1 2 244.245 0.761 20 0 BCADLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000640995805 362105442 /nfs/dbraw/zinc/10/54/42/362105442.db2.gz SBEHHRIJMHAQBT-NKWVEPMBSA-N 1 2 244.245 0.761 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@]12C[C@@H]1CCC2 ZINC000421526699 192353834 /nfs/dbraw/zinc/35/38/34/192353834.db2.gz ONJJNWOBTWCJTJ-SCRDCRAPSA-N 1 2 249.358 0.293 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000193576576 136270947 /nfs/dbraw/zinc/27/09/47/136270947.db2.gz KDIBEIISBQMOOI-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ncccc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000193576576 136270948 /nfs/dbraw/zinc/27/09/48/136270948.db2.gz KDIBEIISBQMOOI-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000677728607 488203757 /nfs/dbraw/zinc/20/37/57/488203757.db2.gz KLOYNZKLELBWJH-JGVFFNPUSA-N 1 2 225.248 0.068 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000677728607 488203761 /nfs/dbraw/zinc/20/37/61/488203761.db2.gz KLOYNZKLELBWJH-JGVFFNPUSA-N 1 2 225.248 0.068 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cn[nH]c1 ZINC000678139168 488204950 /nfs/dbraw/zinc/20/49/50/488204950.db2.gz LCDLMNWKPBZRFM-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cn[nH]c1 ZINC000678139168 488204955 /nfs/dbraw/zinc/20/49/55/488204955.db2.gz LCDLMNWKPBZRFM-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125378920 343172758 /nfs/dbraw/zinc/17/27/58/343172758.db2.gz VKCWBQOXLSJXKS-HTQZYQBOSA-N 1 2 209.249 0.766 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125382458 343172839 /nfs/dbraw/zinc/17/28/39/343172839.db2.gz KXKSWNQLWQMKPX-HTQZYQBOSA-N 1 2 209.249 0.623 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125382937 343173022 /nfs/dbraw/zinc/17/30/22/343173022.db2.gz KXKSWNQLWQMKPX-SFYZADRCSA-N 1 2 209.249 0.623 20 0 BCADLO CCCOCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988744 259356980 /nfs/dbraw/zinc/35/69/80/259356980.db2.gz FLJBLGZOTQNNPR-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(C)(C)OC ZINC000159422895 343202020 /nfs/dbraw/zinc/20/20/20/343202020.db2.gz MWOGYMVQHZQXHM-UHFFFAOYSA-N 1 2 226.280 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(C)(C)OC ZINC000159422895 343202021 /nfs/dbraw/zinc/20/20/21/343202021.db2.gz MWOGYMVQHZQXHM-UHFFFAOYSA-N 1 2 226.280 0.904 20 0 BCADLO Cc1cc(N[C@@H]2C(=O)NCC[C@@H]2C)nc[nH+]1 ZINC000309830543 136275093 /nfs/dbraw/zinc/27/50/93/136275093.db2.gz YLDCUMPLZBOJTQ-XVKPBYJWSA-N 1 2 220.276 0.722 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000625278626 343218163 /nfs/dbraw/zinc/21/81/63/343218163.db2.gz NQPDVEOAOHNJQM-SSDOTTSWSA-N 1 2 231.346 0.448 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1cnns1 ZINC000625278626 343218164 /nfs/dbraw/zinc/21/81/64/343218164.db2.gz NQPDVEOAOHNJQM-SSDOTTSWSA-N 1 2 231.346 0.448 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(C)(C)O ZINC000134907100 343191946 /nfs/dbraw/zinc/19/19/46/343191946.db2.gz JPNDLNNFSVOFRM-UHFFFAOYSA-N 1 2 212.253 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(C)(C)O ZINC000134907100 343191947 /nfs/dbraw/zinc/19/19/47/343191947.db2.gz JPNDLNNFSVOFRM-UHFFFAOYSA-N 1 2 212.253 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](CO)C1 ZINC000134830627 343195286 /nfs/dbraw/zinc/19/52/86/343195286.db2.gz YRILRGSAUQFLKY-MRVPVSSYSA-N 1 2 238.291 0.276 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](CO)C1 ZINC000134830627 343195288 /nfs/dbraw/zinc/19/52/88/343195288.db2.gz YRILRGSAUQFLKY-MRVPVSSYSA-N 1 2 238.291 0.276 20 0 BCADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2OC)CCO1 ZINC000134828089 343195344 /nfs/dbraw/zinc/19/53/44/343195344.db2.gz FTQYOFDVSHLHQW-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2OC)CCO1 ZINC000134828089 343195346 /nfs/dbraw/zinc/19/53/46/343195346.db2.gz FTQYOFDVSHLHQW-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO CC(C)CN(C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625296063 343224745 /nfs/dbraw/zinc/22/47/45/343224745.db2.gz AVPPMEFRFDSSMU-UHFFFAOYSA-N 1 2 246.336 0.332 20 0 BCADLO CC(C)CN(C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625296063 343224747 /nfs/dbraw/zinc/22/47/47/343224747.db2.gz AVPPMEFRFDSSMU-UHFFFAOYSA-N 1 2 246.336 0.332 20 0 BCADLO COCC1(S(=O)(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000625301827 343227667 /nfs/dbraw/zinc/22/76/67/343227667.db2.gz YOOANLQEJAWGSY-UHFFFAOYSA-N 1 2 245.304 0.008 20 0 BCADLO COCC1(S(=O)(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000625301827 343227669 /nfs/dbraw/zinc/22/76/69/343227669.db2.gz YOOANLQEJAWGSY-UHFFFAOYSA-N 1 2 245.304 0.008 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cn(C2CC2)nn1 ZINC000625355856 343247571 /nfs/dbraw/zinc/24/75/71/343247571.db2.gz ICSADUBVWSEAEZ-UHFFFAOYSA-N 1 2 243.270 0.991 20 0 BCADLO Cn1c(Cl)cnc1C[NH2+]CC(=O)NC1CC1 ZINC000035142803 343286578 /nfs/dbraw/zinc/28/65/78/343286578.db2.gz BYTMFBYYRAKLKD-UHFFFAOYSA-N 1 2 242.710 0.442 20 0 BCADLO C[N@H+](Cc1cnns1)CC1(CO)CC1 ZINC000625362252 343258336 /nfs/dbraw/zinc/25/83/36/343258336.db2.gz UEYWWAUWASVPTE-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO C[N@@H+](Cc1cnns1)CC1(CO)CC1 ZINC000625362252 343258338 /nfs/dbraw/zinc/25/83/38/343258338.db2.gz UEYWWAUWASVPTE-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@H](C)C1 ZINC000084092948 136290171 /nfs/dbraw/zinc/29/01/71/136290171.db2.gz NTCUMDRZNWHYOW-SCZZXKLOSA-N 1 2 213.277 0.659 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@H](C)C1 ZINC000084092948 136290172 /nfs/dbraw/zinc/29/01/72/136290172.db2.gz NTCUMDRZNWHYOW-SCZZXKLOSA-N 1 2 213.277 0.659 20 0 BCADLO CCn1ccc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000622702286 343261532 /nfs/dbraw/zinc/26/15/32/343261532.db2.gz MZUYUKHIVCKIAS-UHFFFAOYSA-N 1 2 247.302 0.806 20 0 BCADLO C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000035203997 343289409 /nfs/dbraw/zinc/28/94/09/343289409.db2.gz BJWYISIDHMEHPH-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO CC[C@@](C)(O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035630 362147589 /nfs/dbraw/zinc/14/75/89/362147589.db2.gz RTIXLNNSMOFKDV-LLVKDONJSA-N 1 2 235.291 0.753 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(COCCO)nn1 ZINC000641051636 362161061 /nfs/dbraw/zinc/16/10/61/362161061.db2.gz MCTWVDXSTHKSTP-UHFFFAOYSA-N 1 2 248.286 0.539 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C1CC1 ZINC000402113632 349803240 /nfs/dbraw/zinc/80/32/40/349803240.db2.gz FBRAYTCZTSDGFZ-FXBDTBDDSA-N 1 2 213.277 0.705 20 0 BCADLO C[C@@H](O)CCCc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038227 362150299 /nfs/dbraw/zinc/15/02/99/362150299.db2.gz MTCZBRLSHMZLPV-SNVBAGLBSA-N 1 2 249.318 0.763 20 0 BCADLO Cn1cc[nH+]c1CN1CCCC[C@@]1(C)C(N)=O ZINC000185885546 343326408 /nfs/dbraw/zinc/32/64/08/343326408.db2.gz JATWPIZIUSCVRX-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185885546 343326409 /nfs/dbraw/zinc/32/64/09/343326409.db2.gz JATWPIZIUSCVRX-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccnc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185885546 343326411 /nfs/dbraw/zinc/32/64/11/343326411.db2.gz JATWPIZIUSCVRX-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO CC(C)(C[NH2+]Cc1ccn[nH]1)N1CCOCC1 ZINC000036900116 343326823 /nfs/dbraw/zinc/32/68/23/343326823.db2.gz IKWRIHHULZMQBR-UHFFFAOYSA-N 1 2 238.335 0.610 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069862409 343293534 /nfs/dbraw/zinc/29/35/34/343293534.db2.gz XFZKDLPYZFIETR-VGMNWLOBSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000347659924 136292983 /nfs/dbraw/zinc/29/29/83/136292983.db2.gz RQDFXMCZNWIWRD-RNJXMRFFSA-N 1 2 234.246 0.277 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070008024 343296666 /nfs/dbraw/zinc/29/66/66/343296666.db2.gz SRCDBYGNDBCKOO-JGVFFNPUSA-N 1 2 210.281 0.205 20 0 BCADLO C[C@@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000070153074 343301779 /nfs/dbraw/zinc/30/17/79/343301779.db2.gz FQBBKZYBGGFVFP-ZCFIWIBFSA-N 1 2 204.233 0.271 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)CC(N)=O)[nH+]1 ZINC000348727370 136294942 /nfs/dbraw/zinc/29/49/42/136294942.db2.gz DVJLIEOLMRVPKL-UHFFFAOYSA-N 1 2 219.248 0.188 20 0 BCADLO C[C@H](O)CCCc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053170 362163290 /nfs/dbraw/zinc/16/32/90/362163290.db2.gz BIOUZQRJGDVFTA-JTQLQIEISA-N 1 2 249.318 0.763 20 0 BCADLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599016 343357453 /nfs/dbraw/zinc/35/74/53/343357453.db2.gz APGNNJSIMJDCMW-GFCCVEGCSA-N 1 2 241.379 0.929 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)COCC(F)F ZINC000625371019 343358861 /nfs/dbraw/zinc/35/88/61/343358861.db2.gz JICKDJHGCWXTRN-UHFFFAOYSA-N 1 2 233.218 0.650 20 0 BCADLO COC1CC(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000625371332 343359325 /nfs/dbraw/zinc/35/93/25/343359325.db2.gz LIKDTRREFPHGGJ-UHFFFAOYSA-N 1 2 223.276 0.793 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1CCC1CC1 ZINC000641065691 362172743 /nfs/dbraw/zinc/17/27/43/362172743.db2.gz KFXAWYSZMIKOOO-NSHDSACASA-N 1 2 222.292 0.739 20 0 BCADLO CCCCn1nnnc1C[NH+]1CCC(O)CC1 ZINC000048583048 343372836 /nfs/dbraw/zinc/37/28/36/343372836.db2.gz PKPDNFZBEXIACL-UHFFFAOYSA-N 1 2 239.323 0.430 20 0 BCADLO CCOCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641061508 362170156 /nfs/dbraw/zinc/17/01/56/362170156.db2.gz AMJCDCPIGJMBTF-UHFFFAOYSA-N 1 2 235.291 0.950 20 0 BCADLO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccn[nH]1 ZINC000037782793 343355162 /nfs/dbraw/zinc/35/51/62/343355162.db2.gz PZZAKLVYIWVMDX-VIFPVBQESA-N 1 2 222.292 0.510 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(COC)no2)C[C@@H]1O ZINC000348950920 136310077 /nfs/dbraw/zinc/31/00/77/136310077.db2.gz RLHWKPUDSFTJKN-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(COC)no2)C[C@@H]1O ZINC000348950920 136310078 /nfs/dbraw/zinc/31/00/78/136310078.db2.gz RLHWKPUDSFTJKN-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000335689650 136324540 /nfs/dbraw/zinc/32/45/40/136324540.db2.gz LIPFPINHDCAIAA-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO CC(C)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000349143635 136324919 /nfs/dbraw/zinc/32/49/19/136324919.db2.gz MOIFFBZJOMFIRB-UHFFFAOYSA-N 1 2 249.380 0.066 20 0 BCADLO COCC[N@H+](C)Cc1cn(C[C@@H](C)OC)nn1 ZINC000641083794 362204945 /nfs/dbraw/zinc/20/49/45/362204945.db2.gz WJTMBPVMXPJILR-SNVBAGLBSA-N 1 2 242.323 0.391 20 0 BCADLO COCC[N@@H+](C)Cc1cn(C[C@@H](C)OC)nn1 ZINC000641083794 362204949 /nfs/dbraw/zinc/20/49/49/362204949.db2.gz WJTMBPVMXPJILR-SNVBAGLBSA-N 1 2 242.323 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000335729302 136348110 /nfs/dbraw/zinc/34/81/10/136348110.db2.gz YHDWIGSJGBEHGE-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000335729302 136348111 /nfs/dbraw/zinc/34/81/11/136348111.db2.gz YHDWIGSJGBEHGE-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2nc[nH]c2n1 ZINC000349131592 136329061 /nfs/dbraw/zinc/32/90/61/136329061.db2.gz QCLJMNHOPGJQRJ-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2nc[nH]c2n1 ZINC000349131592 136329062 /nfs/dbraw/zinc/32/90/62/136329062.db2.gz QCLJMNHOPGJQRJ-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)nc(C)n1 ZINC000349182732 136331010 /nfs/dbraw/zinc/33/10/10/136331010.db2.gz FZLDBLRUGHZILY-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO C1=CCC(Cn2cc([C@@H]3COCC[NH2+]3)nn2)C1 ZINC000641080539 362196438 /nfs/dbraw/zinc/19/64/38/362196438.db2.gz VPDIVKKIMGAYAC-LBPRGKRZSA-N 1 2 234.303 0.905 20 0 BCADLO C[C@@H]1C[C@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080963 362197007 /nfs/dbraw/zinc/19/70/07/362197007.db2.gz KBQDKIJNGPLPLX-ZJUUUORDSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@@H]1C[C@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080963 362197011 /nfs/dbraw/zinc/19/70/11/362197011.db2.gz KBQDKIJNGPLPLX-ZJUUUORDSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000349347419 136342744 /nfs/dbraw/zinc/34/27/44/136342744.db2.gz LQTVVSWZYYFXQY-WOPDTQHZSA-N 1 2 238.331 0.718 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](C)C1 ZINC000135015811 343447726 /nfs/dbraw/zinc/44/77/26/343447726.db2.gz LRWIRSGOTFAWAF-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](C)C1 ZINC000135015811 343447728 /nfs/dbraw/zinc/44/77/28/343447728.db2.gz LRWIRSGOTFAWAF-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO C[S@](=O)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000582130431 346940090 /nfs/dbraw/zinc/94/00/90/346940090.db2.gz CRAIHHHYLCCENS-INIZCTEOSA-N 1 2 246.376 0.213 20 0 BCADLO CC(C)[C@H](O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000350551457 136361826 /nfs/dbraw/zinc/36/18/26/136361826.db2.gz BAHCYAKEQRZJKO-NEPJUHHUSA-N 1 2 242.363 0.851 20 0 BCADLO Cc1nc(NC(=O)[C@H](C)[NH+]2CC(C)C2)nn1C ZINC000581438756 346940855 /nfs/dbraw/zinc/94/08/55/346940855.db2.gz ABKCWWYZWYNMAG-QMMMGPOBSA-N 1 2 237.307 0.402 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000013568171 343455638 /nfs/dbraw/zinc/45/56/38/343455638.db2.gz KHKNFZWRKPSDRV-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000013568171 343455639 /nfs/dbraw/zinc/45/56/39/343455639.db2.gz KHKNFZWRKPSDRV-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cccc(OC)n2)C1 ZINC000351181451 136368399 /nfs/dbraw/zinc/36/83/99/136368399.db2.gz HVHLIEDXCUYKCE-UHFFFAOYSA-N 1 2 235.287 0.268 20 0 BCADLO FC1(c2cn(CCn3cc[nH+]c3)nn2)COC1 ZINC000641123742 362231206 /nfs/dbraw/zinc/23/12/06/362231206.db2.gz PQJWOCODRUISNW-UHFFFAOYSA-N 1 2 237.238 0.370 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1C1CC1 ZINC000351786534 136370469 /nfs/dbraw/zinc/37/04/69/136370469.db2.gz XUAZIRRFNFDHQD-GZMMTYOYSA-N 1 2 236.319 0.734 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1C1CC1 ZINC000351786534 136370470 /nfs/dbraw/zinc/37/04/70/136370470.db2.gz XUAZIRRFNFDHQD-GZMMTYOYSA-N 1 2 236.319 0.734 20 0 BCADLO CCOCc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124289 362231427 /nfs/dbraw/zinc/23/14/27/362231427.db2.gz YWMIABMOGUQGKB-UHFFFAOYSA-N 1 2 221.264 0.711 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)C[C@H](C)O ZINC000398584830 488220046 /nfs/dbraw/zinc/22/00/46/488220046.db2.gz VOCMVUBHVKFFAU-YUMQZZPRSA-N 1 2 240.307 0.308 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)C[C@H](C)O ZINC000398584830 488220052 /nfs/dbraw/zinc/22/00/52/488220052.db2.gz VOCMVUBHVKFFAU-YUMQZZPRSA-N 1 2 240.307 0.308 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCOC(C)C ZINC000189567612 136372252 /nfs/dbraw/zinc/37/22/52/136372252.db2.gz OIXHIZOPFYTRJK-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCOC(C)C ZINC000189567612 136372253 /nfs/dbraw/zinc/37/22/53/136372253.db2.gz OIXHIZOPFYTRJK-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO CCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189556003 136372392 /nfs/dbraw/zinc/37/23/92/136372392.db2.gz ZJPZPIYMUCLWTP-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189556003 136372393 /nfs/dbraw/zinc/37/23/93/136372393.db2.gz ZJPZPIYMUCLWTP-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCOC(C)C ZINC000189567629 136372411 /nfs/dbraw/zinc/37/24/11/136372411.db2.gz OIXHIZOPFYTRJK-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCOC(C)C ZINC000189567629 136372412 /nfs/dbraw/zinc/37/24/12/136372412.db2.gz OIXHIZOPFYTRJK-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C)C1 ZINC000577003349 365752506 /nfs/dbraw/zinc/75/25/06/365752506.db2.gz SIAFYDZTPDWHIG-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C)C1 ZINC000577003349 365752523 /nfs/dbraw/zinc/75/25/23/365752523.db2.gz SIAFYDZTPDWHIG-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO FC1(C[NH2+]Cc2nnc3n2CCC3)CC1 ZINC000379947721 365757468 /nfs/dbraw/zinc/75/74/68/365757468.db2.gz RPGWEIIRJFQHIT-UHFFFAOYSA-N 1 2 210.256 0.816 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C(=O)NC(C)C)c[nH+]1 ZINC000622711833 343519596 /nfs/dbraw/zinc/51/95/96/343519596.db2.gz HNASADDVSTUMAW-ZETCQYMHSA-N 1 2 238.291 0.361 20 0 BCADLO C=Cn1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000278321180 187340841 /nfs/dbraw/zinc/34/08/41/187340841.db2.gz XYKCKKICNCKABD-LLVKDONJSA-N 1 2 234.303 0.646 20 0 BCADLO C=Cn1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000278321180 187340842 /nfs/dbraw/zinc/34/08/42/187340842.db2.gz XYKCKKICNCKABD-LLVKDONJSA-N 1 2 234.303 0.646 20 0 BCADLO C[C@H]1OCC[C@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641161140 362246825 /nfs/dbraw/zinc/24/68/25/362246825.db2.gz VILUWUDHEIXDNH-MNOVXSKESA-N 1 2 247.302 0.948 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622720775 343572398 /nfs/dbraw/zinc/57/23/98/343572398.db2.gz NCUVHOPIIPKZTE-DKTWLAJQSA-N 1 2 223.276 0.372 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046884486 343554429 /nfs/dbraw/zinc/55/44/29/343554429.db2.gz MVKBVTLISQJGOY-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000278281651 187341422 /nfs/dbraw/zinc/34/14/22/187341422.db2.gz SZYYXIVDTOHJBE-LLVKDONJSA-N 1 2 223.276 0.177 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000278281651 187341424 /nfs/dbraw/zinc/34/14/24/187341424.db2.gz SZYYXIVDTOHJBE-LLVKDONJSA-N 1 2 223.276 0.177 20 0 BCADLO CN(C)c1ccc(CNC(=O)c2cn[nH]n2)c[nH+]1 ZINC000048891643 343589281 /nfs/dbraw/zinc/58/92/81/343589281.db2.gz UVVGKBDRIPFAIA-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO CC(C)(O)CC(=O)NCCCn1cc[nH+]c1 ZINC000280065418 187342372 /nfs/dbraw/zinc/34/23/72/187342372.db2.gz UUEYYRUBOLCNIU-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)[C@H]2CCNC2=O)cn1 ZINC000281907230 187343250 /nfs/dbraw/zinc/34/32/50/187343250.db2.gz ZTFKXLNXNKBAER-NSHDSACASA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+](CC)[C@H]2CCNC2=O)cn1 ZINC000281907230 187343252 /nfs/dbraw/zinc/34/32/52/187343252.db2.gz ZTFKXLNXNKBAER-NSHDSACASA-N 1 2 234.303 0.694 20 0 BCADLO C[C@@H](O)C1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000620066332 343622885 /nfs/dbraw/zinc/62/28/85/343622885.db2.gz BKUNHNUXIUEIKX-SNVBAGLBSA-N 1 2 237.303 0.693 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)C[C@@H]1CCCO1 ZINC000052102340 343632302 /nfs/dbraw/zinc/63/23/02/343632302.db2.gz JUNKVKRZFCWLAY-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)C[C@@H]1CCCO1 ZINC000052102340 343632304 /nfs/dbraw/zinc/63/23/04/343632304.db2.gz JUNKVKRZFCWLAY-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO O=C([O-])C12CCC(CC1)[N@@H+]2CCn1cc[nH+]c1 ZINC000634696550 343633349 /nfs/dbraw/zinc/63/33/49/343633349.db2.gz BVQAJWFLRUYFBO-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO O=C([O-])C12CCC(CC1)[N@H+]2CCn1cc[nH+]c1 ZINC000634696550 343633351 /nfs/dbraw/zinc/63/33/51/343633351.db2.gz BVQAJWFLRUYFBO-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO COCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077192626 343671683 /nfs/dbraw/zinc/67/16/83/343671683.db2.gz SWGZLUMBRWJFOG-UHFFFAOYSA-N 1 2 233.275 0.745 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580583589 365793509 /nfs/dbraw/zinc/79/35/09/365793509.db2.gz XLRBGBHSKGLJIS-DVVUODLYSA-N 1 2 237.303 0.882 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580583589 365793510 /nfs/dbraw/zinc/79/35/10/365793510.db2.gz XLRBGBHSKGLJIS-DVVUODLYSA-N 1 2 237.303 0.882 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226200 187345433 /nfs/dbraw/zinc/34/54/33/187345433.db2.gz OUPAVUCTZZKKMG-ZJUUUORDSA-N 1 2 241.335 0.062 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226200 187345434 /nfs/dbraw/zinc/34/54/34/187345434.db2.gz OUPAVUCTZZKKMG-ZJUUUORDSA-N 1 2 241.335 0.062 20 0 BCADLO CCOCC[N@H+](C)[C@H](C)C(=O)OCC ZINC000087613343 343654468 /nfs/dbraw/zinc/65/44/68/343654468.db2.gz AWGMVFHCUFWVRH-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO CCOCC[N@@H+](C)[C@H](C)C(=O)OCC ZINC000087613343 343654472 /nfs/dbraw/zinc/65/44/72/343654472.db2.gz AWGMVFHCUFWVRH-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO CCc1cnc(C[NH2+]C2(C(N)=O)CC2)s1 ZINC000309037256 346955358 /nfs/dbraw/zinc/95/53/58/346955358.db2.gz IWRBJOWBJJLQKO-UHFFFAOYSA-N 1 2 225.317 0.813 20 0 BCADLO CCc1nc(C[NH2+][C@H](C)[C@@H](C)CO)no1 ZINC000309036576 346955488 /nfs/dbraw/zinc/95/54/88/346955488.db2.gz IMIHNQCIIDUDHZ-JGVFFNPUSA-N 1 2 213.281 0.739 20 0 BCADLO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000634699911 343685661 /nfs/dbraw/zinc/68/56/61/343685661.db2.gz QJVBHRBKULTXKW-NEPJUHHUSA-N 1 2 239.319 0.411 20 0 BCADLO COCCOCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436951 343734212 /nfs/dbraw/zinc/73/42/12/343734212.db2.gz OQYHXAQIRBUCFC-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO COCCOCC[N@H+]1CCc2nc[nH]c2C1 ZINC000625436951 343734214 /nfs/dbraw/zinc/73/42/14/343734214.db2.gz OQYHXAQIRBUCFC-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO CC(C)(F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290878667 187347791 /nfs/dbraw/zinc/34/77/91/187347791.db2.gz DMINMMFBBULYRF-UHFFFAOYSA-N 1 2 211.240 0.973 20 0 BCADLO COc1ccc[nH+]c1NC[C@@](C)(CO)OC ZINC000624372438 343739573 /nfs/dbraw/zinc/73/95/73/343739573.db2.gz NYTZBNHBZYMWTP-NSHDSACASA-N 1 2 226.276 0.900 20 0 BCADLO Cc1nnc(C[N@H+](CCCO)C2CC2)n1C ZINC000309059303 346958820 /nfs/dbraw/zinc/95/88/20/346958820.db2.gz NPSNHGMWRQQKHI-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@@H+](CCCO)C2CC2)n1C ZINC000309059303 346958821 /nfs/dbraw/zinc/95/88/21/346958821.db2.gz NPSNHGMWRQQKHI-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)c1nccs1 ZINC000624335757 343717799 /nfs/dbraw/zinc/71/77/99/343717799.db2.gz ZWUHMCJWYMCWBA-ZJUUUORDSA-N 1 2 241.360 0.860 20 0 BCADLO C[C@@H](NCC[N@H+]1CC[C@H](O)C1)c1nccs1 ZINC000624335757 343717802 /nfs/dbraw/zinc/71/78/02/343717802.db2.gz ZWUHMCJWYMCWBA-ZJUUUORDSA-N 1 2 241.360 0.860 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC1(C(N)=O)CC1 ZINC000127528287 343726058 /nfs/dbraw/zinc/72/60/58/343726058.db2.gz UVZGTUSPDMSVOU-UHFFFAOYSA-N 1 2 234.259 0.529 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccccn2)CC1 ZINC000061678898 343727779 /nfs/dbraw/zinc/72/77/79/343727779.db2.gz GMSVVMGOAJCZQW-LLVKDONJSA-N 1 2 248.330 0.468 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591825 343753000 /nfs/dbraw/zinc/75/30/00/343753000.db2.gz SFGHFGDTOTYHKK-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591825 343753001 /nfs/dbraw/zinc/75/30/01/343753001.db2.gz SFGHFGDTOTYHKK-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(O)CCSC1 ZINC000336494565 537809850 /nfs/dbraw/zinc/80/98/50/537809850.db2.gz ODCQIOLSDCUAPU-LLVKDONJSA-N 1 2 238.312 0.618 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336441784 537810245 /nfs/dbraw/zinc/81/02/45/537810245.db2.gz BZOJHXGBQWBBMR-YUMQZZPRSA-N 1 2 213.281 0.463 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336441784 537810249 /nfs/dbraw/zinc/81/02/49/537810249.db2.gz BZOJHXGBQWBBMR-YUMQZZPRSA-N 1 2 213.281 0.463 20 0 BCADLO Cc1[nH]c(CN2CCO[C@H]3C[C@H]32)[nH+]c1C ZINC000628290946 346974996 /nfs/dbraw/zinc/97/49/96/346974996.db2.gz GAKLSSAABBCFJK-ZJUUUORDSA-N 1 2 207.277 1.000 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603084987 349864404 /nfs/dbraw/zinc/86/44/04/349864404.db2.gz BDBKBDCWSTZQFT-CPCISQLKSA-N 1 2 238.243 0.028 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603084987 349864406 /nfs/dbraw/zinc/86/44/06/349864406.db2.gz BDBKBDCWSTZQFT-CPCISQLKSA-N 1 2 238.243 0.028 20 0 BCADLO CNC(=O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493728104 529854733 /nfs/dbraw/zinc/85/47/33/529854733.db2.gz SSWCTDDYPYKDCB-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094183 349867336 /nfs/dbraw/zinc/86/73/36/349867336.db2.gz VRMFRXPOAYTLKD-LDYMZIIASA-N 1 2 213.277 0.395 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094183 349867341 /nfs/dbraw/zinc/86/73/41/349867341.db2.gz VRMFRXPOAYTLKD-LDYMZIIASA-N 1 2 213.277 0.395 20 0 BCADLO CCOC(=O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000603161081 349880086 /nfs/dbraw/zinc/88/00/86/349880086.db2.gz KHIKLHWKHULDPK-UHFFFAOYSA-N 1 2 235.247 0.155 20 0 BCADLO CN(CCCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493370638 529892094 /nfs/dbraw/zinc/89/20/94/529892094.db2.gz OUAJOKYRZQSMEU-ONEGZZNKSA-N 1 2 209.249 0.264 20 0 BCADLO CC(C)N1CC[N@H+](CCc2cn[nH]c2)CC1=O ZINC000298582447 187352748 /nfs/dbraw/zinc/35/27/48/187352748.db2.gz XUDKQFHKMMYUOO-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO CC(C)N1CC[N@@H+](CCc2cn[nH]c2)CC1=O ZINC000298582447 187352750 /nfs/dbraw/zinc/35/27/50/187352750.db2.gz XUDKQFHKMMYUOO-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO CC[C@@H](C)Cn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603194810 349882948 /nfs/dbraw/zinc/88/29/48/349882948.db2.gz GMFKQOGIBXIXNU-SCZZXKLOSA-N 1 2 240.307 0.367 20 0 BCADLO CCSCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603195770 349883359 /nfs/dbraw/zinc/88/33/59/349883359.db2.gz BOQYUHPZEBAELO-SNVBAGLBSA-N 1 2 242.348 0.692 20 0 BCADLO COC1CC(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000625488663 343884624 /nfs/dbraw/zinc/88/46/24/343884624.db2.gz HFWCKYQGQBMWQR-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1C[N@H+](CCO)CCN1Cc1cnns1 ZINC000625464817 343871149 /nfs/dbraw/zinc/87/11/49/343871149.db2.gz XBJAFNSEVHDTKP-VIFPVBQESA-N 1 2 242.348 0.037 20 0 BCADLO C[C@H]1C[N@@H+](CCO)CCN1Cc1cnns1 ZINC000625464817 343871152 /nfs/dbraw/zinc/87/11/52/343871152.db2.gz XBJAFNSEVHDTKP-VIFPVBQESA-N 1 2 242.348 0.037 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2COC[C@@H]2OC)s1 ZINC000625467777 343872439 /nfs/dbraw/zinc/87/24/39/343872439.db2.gz BEHICJWGTKMNBA-SFYZADRCSA-N 1 2 243.332 0.604 20 0 BCADLO COc1ccncc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000625472493 343873209 /nfs/dbraw/zinc/87/32/09/343873209.db2.gz VEJOANVFOBEXIF-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO CC[C@H](C(=O)OC)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603192093 349882340 /nfs/dbraw/zinc/88/23/40/349882340.db2.gz LSROSHCHKUTDIJ-SNVBAGLBSA-N 1 2 249.274 0.647 20 0 BCADLO CC(C)OC(=O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000603205572 349887378 /nfs/dbraw/zinc/88/73/78/349887378.db2.gz YJNXWJVIJZAIAC-UHFFFAOYSA-N 1 2 249.274 0.625 20 0 BCADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](O)[C@@H](O)C1 ZINC000624481090 343903368 /nfs/dbraw/zinc/90/33/68/343903368.db2.gz QXZBUZUQUREEGD-RYUDHWBXSA-N 1 2 245.282 0.359 20 0 BCADLO CN(CCn1cccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493480467 529939690 /nfs/dbraw/zinc/93/96/90/529939690.db2.gz KLXOUNVQYLVZFB-ARJAWSKDSA-N 1 2 245.286 0.778 20 0 BCADLO CCNC(=O)CN(C)Cc1[nH+]ccn1CC ZINC000624482248 343906757 /nfs/dbraw/zinc/90/67/57/343906757.db2.gz UOVDFCQKDBQGRX-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000625516371 343915561 /nfs/dbraw/zinc/91/55/61/343915561.db2.gz BYACEYMHPWQZCA-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)C(C)C ZINC000625516371 343915562 /nfs/dbraw/zinc/91/55/62/343915562.db2.gz BYACEYMHPWQZCA-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CCO[C@@H](C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000625518617 343916173 /nfs/dbraw/zinc/91/61/73/343916173.db2.gz XNVKCXBKEUYGFQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CCO[C@@H](C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000625518617 343916175 /nfs/dbraw/zinc/91/61/75/343916175.db2.gz XNVKCXBKEUYGFQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(C)(O)C1)CC2 ZINC000626212635 347016485 /nfs/dbraw/zinc/01/64/85/347016485.db2.gz OLDAHWZQWAYRJL-SNVBAGLBSA-N 1 2 249.314 0.347 20 0 BCADLO CCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641187095 362258349 /nfs/dbraw/zinc/25/83/49/362258349.db2.gz DLKJDWRJLBPHJT-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)CC[S@]1=O ZINC000429561516 192368418 /nfs/dbraw/zinc/36/84/18/192368418.db2.gz RPRYNKACAMSFNQ-KCWFYHRYSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)CC[S@]1=O ZINC000429561516 192368421 /nfs/dbraw/zinc/36/84/21/192368421.db2.gz RPRYNKACAMSFNQ-KCWFYHRYSA-N 1 2 244.360 0.060 20 0 BCADLO Cc1ncoc1C(=O)NCc1[nH]cc[nH+]1 ZINC000093295213 343972542 /nfs/dbraw/zinc/97/25/42/343972542.db2.gz DWBTWCYQEMVDGU-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO [NH3+][C@H](C(=O)N[C@H]1CC12CC2)c1cscn1 ZINC000570624907 323065007 /nfs/dbraw/zinc/06/50/07/323065007.db2.gz UEKCJCMXEJYBGG-YUMQZZPRSA-N 1 2 223.301 0.812 20 0 BCADLO CSCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600417811 343950418 /nfs/dbraw/zinc/95/04/18/343950418.db2.gz BKPOFZZJQDPFRV-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CSCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600417811 343950421 /nfs/dbraw/zinc/95/04/21/343950421.db2.gz BKPOFZZJQDPFRV-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@](C)(O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641217474 362280516 /nfs/dbraw/zinc/28/05/16/362280516.db2.gz SFZIYKSFOFSGCX-GHMZBOCLSA-N 1 2 240.307 0.100 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493682295 529955306 /nfs/dbraw/zinc/95/53/06/529955306.db2.gz HNQCLKCPBHIJAP-PBKGFPTLSA-N 1 2 235.287 0.918 20 0 BCADLO CN(C)C(=O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625724375 344057256 /nfs/dbraw/zinc/05/72/56/344057256.db2.gz HGJCXNCWOPVDRK-UHFFFAOYSA-N 1 2 220.272 0.796 20 0 BCADLO CN(C)C(=O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625724375 344057258 /nfs/dbraw/zinc/05/72/58/344057258.db2.gz HGJCXNCWOPVDRK-UHFFFAOYSA-N 1 2 220.272 0.796 20 0 BCADLO O=C(COCC(F)F)NCc1c[nH+]c[nH]1 ZINC000625742488 344061565 /nfs/dbraw/zinc/06/15/65/344061565.db2.gz MQUSRLRVLYDUGY-UHFFFAOYSA-N 1 2 219.191 0.308 20 0 BCADLO O=C(COCC(F)F)NCc1c[nH]c[nH+]1 ZINC000625742488 344061567 /nfs/dbraw/zinc/06/15/67/344061567.db2.gz MQUSRLRVLYDUGY-UHFFFAOYSA-N 1 2 219.191 0.308 20 0 BCADLO CCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641251451 362329515 /nfs/dbraw/zinc/32/95/15/362329515.db2.gz RASYAAVXNMLOAG-UHFFFAOYSA-N 1 2 231.321 0.603 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330529191 187357411 /nfs/dbraw/zinc/35/74/11/187357411.db2.gz QWSIYVFQGJLVMD-MRVPVSSYSA-N 1 2 243.307 0.485 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330529191 187357413 /nfs/dbraw/zinc/35/74/13/187357413.db2.gz QWSIYVFQGJLVMD-MRVPVSSYSA-N 1 2 243.307 0.485 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ncc(Cl)cn1 ZINC000624619900 344105538 /nfs/dbraw/zinc/10/55/38/344105538.db2.gz PBTCGJJTEAGOTG-SECBINFHSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ncc(Cl)cn1 ZINC000624619900 344105542 /nfs/dbraw/zinc/10/55/42/344105542.db2.gz PBTCGJJTEAGOTG-SECBINFHSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ncc(F)cn1 ZINC000624620437 344107266 /nfs/dbraw/zinc/10/72/66/344107266.db2.gz DAXFPRQSJIGHLZ-SECBINFHSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ncc(F)cn1 ZINC000624620437 344107269 /nfs/dbraw/zinc/10/72/69/344107269.db2.gz DAXFPRQSJIGHLZ-SECBINFHSA-N 1 2 226.255 0.358 20 0 BCADLO CCNC(=O)CN(C)c1cc(CO)cc[nH+]1 ZINC000641300725 362352012 /nfs/dbraw/zinc/35/20/12/362352012.db2.gz HHJDFBHCNWJCBZ-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO CCCN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641306672 362356290 /nfs/dbraw/zinc/35/62/90/362356290.db2.gz LYCBBFLRVUVMTB-UHFFFAOYSA-N 1 2 231.321 0.555 20 0 BCADLO Cc1noc(CCNc2cc(CO)cc[nH+]2)n1 ZINC000641320312 362362216 /nfs/dbraw/zinc/36/22/16/362362216.db2.gz OIOSPLRUFUIWTI-UHFFFAOYSA-N 1 2 234.259 0.920 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)n1C ZINC000221464400 259373600 /nfs/dbraw/zinc/37/36/00/259373600.db2.gz LHJFOKQFSKTYQX-SCZZXKLOSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)n1C ZINC000221464400 259373602 /nfs/dbraw/zinc/37/36/02/259373602.db2.gz LHJFOKQFSKTYQX-SCZZXKLOSA-N 1 2 224.308 0.326 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000085940402 344209907 /nfs/dbraw/zinc/20/99/07/344209907.db2.gz NWOPLFWYXSTIPZ-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000085940402 344209909 /nfs/dbraw/zinc/20/99/09/344209909.db2.gz NWOPLFWYXSTIPZ-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO O=C(C=C1CCC1)NCC[NH+]1CCOCC1 ZINC000086965457 344226054 /nfs/dbraw/zinc/22/60/54/344226054.db2.gz ZDZPHKBVMZINSX-UHFFFAOYSA-N 1 2 224.304 0.545 20 0 BCADLO C[N@H+](CCCCO)Cc1cnns1 ZINC000384869078 344191784 /nfs/dbraw/zinc/19/17/84/344191784.db2.gz SILWCHLKVXNINE-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO C[N@@H+](CCCCO)Cc1cnns1 ZINC000384869078 344191786 /nfs/dbraw/zinc/19/17/86/344191786.db2.gz SILWCHLKVXNINE-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750425 344192365 /nfs/dbraw/zinc/19/23/65/344192365.db2.gz WMPZQFYHTQZGQE-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750425 344192368 /nfs/dbraw/zinc/19/23/68/344192368.db2.gz WMPZQFYHTQZGQE-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750138 344192960 /nfs/dbraw/zinc/19/29/60/344192960.db2.gz OCODXYLBSXQZKL-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750138 344192963 /nfs/dbraw/zinc/19/29/63/344192963.db2.gz OCODXYLBSXQZKL-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628135505 344193951 /nfs/dbraw/zinc/19/39/51/344193951.db2.gz YSLQBMXKDBANKF-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628135505 344193953 /nfs/dbraw/zinc/19/39/53/344193953.db2.gz YSLQBMXKDBANKF-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]cnc2c1cnn2C ZINC000384936800 344270330 /nfs/dbraw/zinc/27/03/30/344270330.db2.gz JWYKTGKMHZUOPV-HTQZYQBOSA-N 1 2 233.275 0.323 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)NCC(C)C ZINC000056508922 344316138 /nfs/dbraw/zinc/31/61/38/344316138.db2.gz DTKUDGUBFLTVEO-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)NCC(C)C ZINC000056508922 344316141 /nfs/dbraw/zinc/31/61/41/344316141.db2.gz DTKUDGUBFLTVEO-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)NC1 ZINC000133711629 344321043 /nfs/dbraw/zinc/32/10/43/344321043.db2.gz AVFFDSFZNJVYRA-DJLDLDEBSA-N 1 2 200.282 0.278 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccnn2C)C1 ZINC000093888001 344323536 /nfs/dbraw/zinc/32/35/36/344323536.db2.gz NGQSVQXMYIMZKH-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccnn2C)C1 ZINC000093888001 344323539 /nfs/dbraw/zinc/32/35/39/344323539.db2.gz NGQSVQXMYIMZKH-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1[nH]cc[nH+]1 ZINC000600618177 344335976 /nfs/dbraw/zinc/33/59/76/344335976.db2.gz BMHIUAOAVXJAAF-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CCCC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000600613247 344336501 /nfs/dbraw/zinc/33/65/01/344336501.db2.gz WKQCRMRKCXLFKL-OPRDCNLKSA-N 1 2 242.319 0.572 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000600614567 344337012 /nfs/dbraw/zinc/33/70/12/344337012.db2.gz KJKMQIMOAIXSAA-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000600614570 344337229 /nfs/dbraw/zinc/33/72/29/344337229.db2.gz KJKMQIMOAIXSAA-IWSPIJDZSA-N 1 2 201.266 0.705 20 0 BCADLO COC[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641370103 362379760 /nfs/dbraw/zinc/37/97/60/362379760.db2.gz ADBVHXFSOMOYIB-LLVKDONJSA-N 1 2 226.276 0.383 20 0 BCADLO CN1C[C@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641384139 362384794 /nfs/dbraw/zinc/38/47/94/362384794.db2.gz FTJFZIXNPQMGRK-SSDOTTSWSA-N 1 2 209.224 0.285 20 0 BCADLO C[C@@H]1CCN(S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000247588237 344352646 /nfs/dbraw/zinc/35/26/46/344352646.db2.gz MIDPSTOTYPCLRY-NXEZZACHSA-N 1 2 243.332 0.726 20 0 BCADLO CCNC(=O)CN(C)c1nc[nH+]c(N)c1Cl ZINC000233479097 537843715 /nfs/dbraw/zinc/84/37/15/537843715.db2.gz FGXOKVGIJADLQZ-UHFFFAOYSA-N 1 2 243.698 0.285 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606964 344357895 /nfs/dbraw/zinc/35/78/95/344357895.db2.gz CENZHEVUPXHXKO-BDAKNGLRSA-N 1 2 225.292 0.758 20 0 BCADLO CCc1cc(NCC(=O)N(C)C)nc[nH+]1 ZINC000040765084 344304357 /nfs/dbraw/zinc/30/43/57/344304357.db2.gz GOWQWWQLWODCRX-UHFFFAOYSA-N 1 2 208.265 0.539 20 0 BCADLO CCc1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000380716644 344434101 /nfs/dbraw/zinc/43/41/01/344434101.db2.gz NXMBPJMIRXDCFD-VIFPVBQESA-N 1 2 220.276 0.682 20 0 BCADLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000048613956 344402441 /nfs/dbraw/zinc/40/24/41/344402441.db2.gz CWBKDMQLTZTZAA-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CN1C[C@H](C[N@H+](C)Cc2cc[nH]n2)OC1=O ZINC000495654421 529982061 /nfs/dbraw/zinc/98/20/61/529982061.db2.gz UGKHOWHVHACGHY-VIFPVBQESA-N 1 2 224.264 0.292 20 0 BCADLO CN1C[C@H](C[N@@H+](C)Cc2cc[nH]n2)OC1=O ZINC000495654421 529982062 /nfs/dbraw/zinc/98/20/62/529982062.db2.gz UGKHOWHVHACGHY-VIFPVBQESA-N 1 2 224.264 0.292 20 0 BCADLO CC(C)(C)OC(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000042122111 344443230 /nfs/dbraw/zinc/44/32/30/344443230.db2.gz IRHHYPKVRGQLMZ-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CC(C)(C)OC(=O)CC[N@H+]1CCNC(=O)C1 ZINC000042122111 344443233 /nfs/dbraw/zinc/44/32/33/344443233.db2.gz IRHHYPKVRGQLMZ-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000042251037 344447564 /nfs/dbraw/zinc/44/75/64/344447564.db2.gz YUTUPBZENFBARU-QMMMGPOBSA-N 1 2 228.292 0.135 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043628826 344529068 /nfs/dbraw/zinc/52/90/68/344529068.db2.gz GMSAELKVBMAZOF-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043628826 344529070 /nfs/dbraw/zinc/52/90/70/344529070.db2.gz GMSAELKVBMAZOF-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1ncnn1CC ZINC000168707938 537847634 /nfs/dbraw/zinc/84/76/34/537847634.db2.gz FSNWSLKPDGDUSH-UHFFFAOYSA-N 1 2 248.334 0.884 20 0 BCADLO CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000220577565 344554320 /nfs/dbraw/zinc/55/43/20/344554320.db2.gz VELMZEVUWJTHGQ-JTQLQIEISA-N 1 2 220.276 0.818 20 0 BCADLO COC(=O)[C@H]([NH2+]CCCNC(C)=O)C(C)(C)C ZINC000127577370 344566978 /nfs/dbraw/zinc/56/69/78/344566978.db2.gz HMHWIVVNIYFCDK-JTQLQIEISA-N 1 2 244.335 0.690 20 0 BCADLO O=S1(=O)CCC[C@H]1CNc1cc[nH+]cc1F ZINC000641444541 362421916 /nfs/dbraw/zinc/42/19/16/362421916.db2.gz SUVQYMFKXKCJMY-QMMMGPOBSA-N 1 2 244.291 0.632 20 0 BCADLO CN(CC(C)(CO)CO)c1cc[nH+]cc1F ZINC000641451925 362426141 /nfs/dbraw/zinc/42/61/41/362426141.db2.gz ZDFLUBWHLUKJMG-UHFFFAOYSA-N 1 2 228.267 0.648 20 0 BCADLO OCC1(CNc2cc[nH+]cc2F)COC1 ZINC000641453724 362426544 /nfs/dbraw/zinc/42/65/44/362426544.db2.gz OQZZGADLSQYCID-UHFFFAOYSA-N 1 2 212.224 0.063 20 0 BCADLO Cn1c[nH+]c(CSc2ncc(CO)n2C)c1 ZINC000641460785 362433826 /nfs/dbraw/zinc/43/38/26/362433826.db2.gz BWMOEARVHNMPDS-UHFFFAOYSA-N 1 2 238.316 0.938 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C1CC(O)C1 ZINC000408215037 344597889 /nfs/dbraw/zinc/59/78/89/344597889.db2.gz NVIADBRZLLKBNJ-UHFFFAOYSA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C1CC(O)C1 ZINC000408215037 344597893 /nfs/dbraw/zinc/59/78/93/344597893.db2.gz NVIADBRZLLKBNJ-UHFFFAOYSA-N 1 2 225.296 0.209 20 0 BCADLO COC[C@H](O)CCNc1cc[nH+]cc1F ZINC000641471367 362440353 /nfs/dbraw/zinc/44/03/53/362440353.db2.gz XLQWGTALENRVFN-MRVPVSSYSA-N 1 2 214.240 0.452 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](CO)O1 ZINC000641545820 362494324 /nfs/dbraw/zinc/49/43/24/362494324.db2.gz ZNBWWJGKXPPPIU-BDAKNGLRSA-N 1 2 226.251 0.807 20 0 BCADLO CS(=O)(=O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000641545628 362492304 /nfs/dbraw/zinc/49/23/04/362492304.db2.gz GXEMGXBAUJUVKR-UHFFFAOYSA-N 1 2 244.291 0.632 20 0 BCADLO CCN1CCN(c2cc[nH+]cc2F)CC1=O ZINC000641487754 362455308 /nfs/dbraw/zinc/45/53/08/362455308.db2.gz COAXHONRJPABLL-UHFFFAOYSA-N 1 2 223.251 0.889 20 0 BCADLO CC[C@@]1(O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641506248 362465357 /nfs/dbraw/zinc/46/53/57/362465357.db2.gz YEIADXVGEZGYQX-GFCCVEGCSA-N 1 2 222.288 0.925 20 0 BCADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1ncn(C)n1 ZINC000641519166 362472885 /nfs/dbraw/zinc/47/28/85/362472885.db2.gz UYJQGZNARIPSKW-MRVPVSSYSA-N 1 2 233.275 0.876 20 0 BCADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@@H](CO)O1 ZINC000641545826 362493307 /nfs/dbraw/zinc/49/33/07/362493307.db2.gz ZNBWWJGKXPPPIU-IUCAKERBSA-N 1 2 226.251 0.807 20 0 BCADLO Cc1[nH]c2ccc(Cn3nnn(C)c3=O)cc2[nH+]1 ZINC000641519580 362475937 /nfs/dbraw/zinc/47/59/37/362475937.db2.gz LBNATAJOCIVZJI-UHFFFAOYSA-N 1 2 244.258 0.210 20 0 BCADLO Cc1[nH]c2cc(Cn3nnn(C)c3=O)ccc2[nH+]1 ZINC000641519580 362475944 /nfs/dbraw/zinc/47/59/44/362475944.db2.gz LBNATAJOCIVZJI-UHFFFAOYSA-N 1 2 244.258 0.210 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H](F)C1 ZINC000641520194 362476971 /nfs/dbraw/zinc/47/69/71/362476971.db2.gz CDQLPRCNYDQNCC-VIFPVBQESA-N 1 2 247.295 0.257 20 0 BCADLO O=C1CCC[C@@H](CNc2cc(CO)cc[nH+]2)N1 ZINC000641542828 362489797 /nfs/dbraw/zinc/48/97/97/362489797.db2.gz ABYHQEFJELOMAN-JTQLQIEISA-N 1 2 235.287 0.655 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000625998911 344660939 /nfs/dbraw/zinc/66/09/39/344660939.db2.gz CAPHOERZCNWGPL-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000625998911 344660941 /nfs/dbraw/zinc/66/09/41/344660941.db2.gz CAPHOERZCNWGPL-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@@H](CCF)C1 ZINC000626002078 344662181 /nfs/dbraw/zinc/66/21/81/344662181.db2.gz FVLKBLWQHIGUNC-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626002405 344663142 /nfs/dbraw/zinc/66/31/42/344663142.db2.gz MIVJHXZAOQVAJB-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626002405 344663146 /nfs/dbraw/zinc/66/31/46/344663146.db2.gz MIVJHXZAOQVAJB-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO FCC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626006076 344664473 /nfs/dbraw/zinc/66/44/73/344664473.db2.gz QFORNRZKOSNQJP-SNVBAGLBSA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626006076 344664475 /nfs/dbraw/zinc/66/44/75/344664475.db2.gz QFORNRZKOSNQJP-SNVBAGLBSA-N 1 2 213.256 0.970 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@@H](CCF)C2)nn1 ZINC000626007120 344665487 /nfs/dbraw/zinc/66/54/87/344665487.db2.gz UXXKWVVBISMGNX-NSHDSACASA-N 1 2 242.298 0.418 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@@H](CCF)C2)nn1 ZINC000626007120 344665489 /nfs/dbraw/zinc/66/54/89/344665489.db2.gz UXXKWVVBISMGNX-NSHDSACASA-N 1 2 242.298 0.418 20 0 BCADLO O=C(C[N@H+]1CCc2c(O)cccc2C1)N1CCC1 ZINC000626026070 344678895 /nfs/dbraw/zinc/67/88/95/344678895.db2.gz VFSKMMSJVLBFEZ-UHFFFAOYSA-N 1 2 246.310 0.983 20 0 BCADLO O=C(C[N@@H+]1CCc2c(O)cccc2C1)N1CCC1 ZINC000626026070 344678898 /nfs/dbraw/zinc/67/88/98/344678898.db2.gz VFSKMMSJVLBFEZ-UHFFFAOYSA-N 1 2 246.310 0.983 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000626078591 344725102 /nfs/dbraw/zinc/72/51/02/344725102.db2.gz KMHAHXTZKKIHOI-VIFPVBQESA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000626078591 344725104 /nfs/dbraw/zinc/72/51/04/344725104.db2.gz KMHAHXTZKKIHOI-VIFPVBQESA-N 1 2 240.328 0.824 20 0 BCADLO COC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000128059649 344728507 /nfs/dbraw/zinc/72/85/07/344728507.db2.gz YBTQQWYJZHBEQM-BDAKNGLRSA-N 1 2 233.308 0.171 20 0 BCADLO COC(=O)CC1([NH2+]CC(F)F)CCOCC1 ZINC000309454359 347068688 /nfs/dbraw/zinc/06/86/88/347068688.db2.gz LYDSPTWCXQQNBM-UHFFFAOYSA-N 1 2 237.246 0.953 20 0 BCADLO CN1C[C@H](C[N@H+](C)Cc2cnccn2)OC1=O ZINC000496195025 530017069 /nfs/dbraw/zinc/01/70/69/530017069.db2.gz JNQXIXADXMJHPN-JTQLQIEISA-N 1 2 236.275 0.359 20 0 BCADLO CN1C[C@H](C[N@@H+](C)Cc2cnccn2)OC1=O ZINC000496195025 530017071 /nfs/dbraw/zinc/01/70/71/530017071.db2.gz JNQXIXADXMJHPN-JTQLQIEISA-N 1 2 236.275 0.359 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103978 344747795 /nfs/dbraw/zinc/74/77/95/344747795.db2.gz ZKVJTUGEINKIQV-ONGXEEELSA-N 1 2 221.308 0.975 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103978 344747797 /nfs/dbraw/zinc/74/77/97/344747797.db2.gz ZKVJTUGEINKIQV-ONGXEEELSA-N 1 2 221.308 0.975 20 0 BCADLO CN1CC2(C[NH+](C[C@H]3CCC=CO3)C2)OC1=O ZINC000496339316 530047342 /nfs/dbraw/zinc/04/73/42/530047342.db2.gz GUWCSECTFPLOEM-SNVBAGLBSA-N 1 2 238.287 0.816 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CCOCC1 ZINC000075848591 344785523 /nfs/dbraw/zinc/78/55/23/344785523.db2.gz AGBXZVUPENCZJG-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291299172 537858054 /nfs/dbraw/zinc/85/80/54/537858054.db2.gz SFIDMHLRTYAPOH-UWVGGRQHSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000076819118 344806921 /nfs/dbraw/zinc/80/69/21/344806921.db2.gz CICBEIZNTAKOOQ-XIZWVBILSA-N 1 2 241.360 0.761 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000076730821 344809133 /nfs/dbraw/zinc/80/91/33/344809133.db2.gz SRBCKFGLXNFWFH-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000076730821 344809134 /nfs/dbraw/zinc/80/91/34/344809134.db2.gz SRBCKFGLXNFWFH-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO CNC(=O)[C@]1(C)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641547594 362495143 /nfs/dbraw/zinc/49/51/43/362495143.db2.gz CIRPADWQWZOWFD-CYBMUJFWSA-N 1 2 249.314 0.536 20 0 BCADLO Cc1nc(N(C)CCN2CCCC2=O)cc[nH+]1 ZINC000078254623 344837985 /nfs/dbraw/zinc/83/79/85/344837985.db2.gz YDKAHONLMLMHOW-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C)n1 ZINC000176191475 178744375 /nfs/dbraw/zinc/74/43/75/178744375.db2.gz GDAHTNHANCURMH-LBPRGKRZSA-N 1 2 249.314 0.968 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)n1 ZINC000176191475 178744377 /nfs/dbraw/zinc/74/43/77/178744377.db2.gz GDAHTNHANCURMH-LBPRGKRZSA-N 1 2 249.314 0.968 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000068407526 349920011 /nfs/dbraw/zinc/92/00/11/349920011.db2.gz VJZNYLWKUSLAAB-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000135684326 344850835 /nfs/dbraw/zinc/85/08/35/344850835.db2.gz UOSPRQAIHPULBW-KWQFWETISA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000135684326 344850836 /nfs/dbraw/zinc/85/08/36/344850836.db2.gz UOSPRQAIHPULBW-KWQFWETISA-N 1 2 243.307 0.071 20 0 BCADLO CCOCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000583375791 344851346 /nfs/dbraw/zinc/85/13/46/344851346.db2.gz FAMMELPCYDHSDT-QMMMGPOBSA-N 1 2 229.305 0.296 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)[C@H]2C)[nH+]1 ZINC000628158102 344852823 /nfs/dbraw/zinc/85/28/23/344852823.db2.gz FEMJBTMUMAMDEM-MRVPVSSYSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)[C@@H]2C)[nH+]1 ZINC000628158103 344852948 /nfs/dbraw/zinc/85/29/48/344852948.db2.gz FEMJBTMUMAMDEM-QMMMGPOBSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000628159769 344855311 /nfs/dbraw/zinc/85/53/11/344855311.db2.gz XBXNYROZOGADNE-MNOVXSKESA-N 1 2 248.330 0.961 20 0 BCADLO Cc1[nH]c(CN2CCN3C(=O)CC[C@H]3C2)[nH+]c1C ZINC000628159665 344855505 /nfs/dbraw/zinc/85/55/05/344855505.db2.gz VIKIHIAZJZVXJN-NSHDSACASA-N 1 2 248.330 0.833 20 0 BCADLO Cc1nc(NC[C@H](O)C2CCOCC2)cc[nH+]1 ZINC000078293660 344842122 /nfs/dbraw/zinc/84/21/22/344842122.db2.gz AAYIHALWITXXSU-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C)c[nH]1 ZINC000628162220 344862599 /nfs/dbraw/zinc/86/25/99/344862599.db2.gz IJMCJAGJUYQTNP-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C)c[nH]1 ZINC000628162220 344862601 /nfs/dbraw/zinc/86/26/01/344862601.db2.gz IJMCJAGJUYQTNP-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)CC2)[nH+]c1C ZINC000628163991 344865404 /nfs/dbraw/zinc/86/54/04/344865404.db2.gz ZZDBONFMMPULPF-UHFFFAOYSA-N 1 2 222.292 0.348 20 0 BCADLO CC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000408241053 344868922 /nfs/dbraw/zinc/86/89/22/344868922.db2.gz SCGHVRNKFNEROR-LLVKDONJSA-N 1 2 234.303 0.890 20 0 BCADLO COCC[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641551927 362496178 /nfs/dbraw/zinc/49/61/78/362496178.db2.gz KTAXMZRXVLBYPF-JTQLQIEISA-N 1 2 226.276 0.383 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000579349280 344953498 /nfs/dbraw/zinc/95/34/98/344953498.db2.gz GUNOFWNLGQLPEO-ZJUUUORDSA-N 1 2 222.292 0.724 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000579349280 344953500 /nfs/dbraw/zinc/95/35/00/344953500.db2.gz GUNOFWNLGQLPEO-ZJUUUORDSA-N 1 2 222.292 0.724 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC1 ZINC000079312880 344955063 /nfs/dbraw/zinc/95/50/63/344955063.db2.gz REFOBVZFJJZDCX-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000079391178 344962158 /nfs/dbraw/zinc/96/21/58/344962158.db2.gz GPELMVOXJBAXIB-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC)CC1 ZINC000079391178 344962159 /nfs/dbraw/zinc/96/21/59/344962159.db2.gz GPELMVOXJBAXIB-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO OCc1cc[nH+]c(N2C[C@@H]3COC[C@@H]3C2)c1 ZINC000641551694 362496504 /nfs/dbraw/zinc/49/65/04/362496504.db2.gz CGIDNAXVTKLIBA-PHIMTYICSA-N 1 2 220.272 0.657 20 0 BCADLO C[N@H+](Cc1cnc(C2CC2)o1)[C@H]1CCNC1=O ZINC000628191347 344945834 /nfs/dbraw/zinc/94/58/34/344945834.db2.gz IALIXWIILJNUIF-JTQLQIEISA-N 1 2 235.287 0.872 20 0 BCADLO C[N@@H+](Cc1cnc(C2CC2)o1)[C@H]1CCNC1=O ZINC000628191347 344945837 /nfs/dbraw/zinc/94/58/37/344945837.db2.gz IALIXWIILJNUIF-JTQLQIEISA-N 1 2 235.287 0.872 20 0 BCADLO COCC[C@H](CO)Nc1cc[nH+]cc1F ZINC000641552964 362497718 /nfs/dbraw/zinc/49/77/18/362497718.db2.gz TWIMIWXPTRCDSF-MRVPVSSYSA-N 1 2 214.240 0.452 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cn1 ZINC000154029650 345008899 /nfs/dbraw/zinc/00/88/99/345008899.db2.gz BEKPZZJKRFVHHC-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cn1 ZINC000154029650 345008900 /nfs/dbraw/zinc/00/89/00/345008900.db2.gz BEKPZZJKRFVHHC-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO OC1(CCNc2cc[nH+]cc2F)CCOCC1 ZINC000641593167 362536107 /nfs/dbraw/zinc/53/61/07/362536107.db2.gz NEKVBAVSSUAPSP-UHFFFAOYSA-N 1 2 240.278 0.986 20 0 BCADLO OC[C@@H]1CC[C@H](CNc2cc[nH+]cc2F)O1 ZINC000641608911 362543128 /nfs/dbraw/zinc/54/31/28/362543128.db2.gz NDQCKTPHZUFGMP-BDAKNGLRSA-N 1 2 226.251 0.594 20 0 BCADLO CC(C)NC(=O)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641636972 362568658 /nfs/dbraw/zinc/56/86/58/362568658.db2.gz VJGXDGHGMVLTRM-VIFPVBQESA-N 1 2 237.303 0.899 20 0 BCADLO CO[C@](C)(CO)CNc1cc[nH+]cc1F ZINC000641655358 362578612 /nfs/dbraw/zinc/57/86/12/362578612.db2.gz IZRPUJADMQWBKU-JTQLQIEISA-N 1 2 214.240 0.452 20 0 BCADLO Cn1nnc2c1CC[C@H](Nc1cc[nH+]cc1F)C2 ZINC000641655058 362578677 /nfs/dbraw/zinc/57/86/77/362578677.db2.gz BPPRRUMWMXMUCF-QMMMGPOBSA-N 1 2 247.277 0.741 20 0 BCADLO C[C@H](CCO)N(C)c1cc(CO)cc[nH+]1 ZINC000641652426 362579017 /nfs/dbraw/zinc/57/90/17/362579017.db2.gz KOXFBKJUEUKQDW-SECBINFHSA-N 1 2 210.277 0.781 20 0 BCADLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360821690 187300520 /nfs/dbraw/zinc/30/05/20/187300520.db2.gz ZQFHQXGAAHKGJB-YIZRAAEISA-N 1 2 248.273 0.261 20 0 BCADLO CC[C@@H](Nc1cc[nH+]cc1F)C(=O)NC ZINC000641625150 362557741 /nfs/dbraw/zinc/55/77/41/362557741.db2.gz OWZWJXZTSOGDJJ-MRVPVSSYSA-N 1 2 211.240 0.579 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)NCC2CC2)[C@H]1C ZINC000156073264 345122875 /nfs/dbraw/zinc/12/28/75/345122875.db2.gz DIINVANSVOBXQB-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)NCC2CC2)[C@H]1C ZINC000156073264 345122877 /nfs/dbraw/zinc/12/28/77/345122877.db2.gz DIINVANSVOBXQB-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641628912 362558982 /nfs/dbraw/zinc/55/89/82/362558982.db2.gz VHJGIXRVFIBPLK-XCBNKYQSSA-N 1 2 212.224 0.010 20 0 BCADLO C/C=C/CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641631737 362562859 /nfs/dbraw/zinc/56/28/59/362562859.db2.gz JXQJOGDBAGKBPJ-NSCUHMNNSA-N 1 2 229.305 0.379 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641633868 362564685 /nfs/dbraw/zinc/56/46/85/362564685.db2.gz UIWHAJJIOJDETP-GHMZBOCLSA-N 1 2 228.267 0.576 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)N(C)CC2CC2)[C@H]1C ZINC000156223638 345140165 /nfs/dbraw/zinc/14/01/65/345140165.db2.gz PFZOOCVEBAZCEF-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)N(C)CC2CC2)[C@H]1C ZINC000156223638 345140166 /nfs/dbraw/zinc/14/01/66/345140166.db2.gz PFZOOCVEBAZCEF-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)NC2CC2)CC[N@H+]1C ZINC000408316960 345141600 /nfs/dbraw/zinc/14/16/00/345141600.db2.gz DWEQGKHGQFVLHQ-BDAKNGLRSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)NC2CC2)CC[N@@H+]1C ZINC000408316960 345141604 /nfs/dbraw/zinc/14/16/04/345141604.db2.gz DWEQGKHGQFVLHQ-BDAKNGLRSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316962 345141635 /nfs/dbraw/zinc/14/16/35/345141635.db2.gz DWEQGKHGQFVLHQ-IUCAKERBSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316962 345141638 /nfs/dbraw/zinc/14/16/38/345141638.db2.gz DWEQGKHGQFVLHQ-IUCAKERBSA-N 1 2 247.364 0.008 20 0 BCADLO CCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000156262513 345142805 /nfs/dbraw/zinc/14/28/05/345142805.db2.gz CLISSXDKORIFOM-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000156262513 345142806 /nfs/dbraw/zinc/14/28/06/345142806.db2.gz CLISSXDKORIFOM-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275520 345143442 /nfs/dbraw/zinc/14/34/42/345143442.db2.gz MXRGFAYUBNYATA-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275520 345143444 /nfs/dbraw/zinc/14/34/44/345143444.db2.gz MXRGFAYUBNYATA-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccon1 ZINC000634976190 345155936 /nfs/dbraw/zinc/15/59/36/345155936.db2.gz PXMOCVIBRPECRE-JTQLQIEISA-N 1 2 244.316 0.732 20 0 BCADLO C[C@@H]([NH2+]Cc1ccon1)C(=O)NCCF ZINC000634980180 345156654 /nfs/dbraw/zinc/15/66/54/345156654.db2.gz YMFVEHPWBJXNBP-SSDOTTSWSA-N 1 2 215.228 0.238 20 0 BCADLO C[C@@H](C[S@@](C)=O)Nc1cc[nH+]cc1F ZINC000603332653 349925785 /nfs/dbraw/zinc/92/57/85/349925785.db2.gz BQUKJRALFFWXIP-JKYUHCHBSA-N 1 2 216.281 0.822 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)COC)[nH+]1 ZINC000635078215 345242005 /nfs/dbraw/zinc/24/20/05/345242005.db2.gz PPBFISNJGDCZSH-QMMMGPOBSA-N 1 2 225.292 0.666 20 0 BCADLO CC(C)N(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528109 534990403 /nfs/dbraw/zinc/99/04/03/534990403.db2.gz IQBYAJNSEKGKJA-SSDOTTSWSA-N 1 2 206.236 0.850 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635134041 345255038 /nfs/dbraw/zinc/25/50/38/345255038.db2.gz AHBUEBROJOOZCL-NXEZZACHSA-N 1 2 228.255 0.969 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635134041 345255040 /nfs/dbraw/zinc/25/50/40/345255040.db2.gz AHBUEBROJOOZCL-NXEZZACHSA-N 1 2 228.255 0.969 20 0 BCADLO C[C@@H](C[S@@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603333100 349925551 /nfs/dbraw/zinc/92/55/51/349925551.db2.gz CZGBJTQRPOJUHR-VXJOIVPMSA-N 1 2 228.317 0.753 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1nnn(C)n1 ZINC000626111509 345271959 /nfs/dbraw/zinc/27/19/59/345271959.db2.gz PXMKGCHMINDJLC-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1nnn(C)n1 ZINC000626111509 345271963 /nfs/dbraw/zinc/27/19/63/345271963.db2.gz PXMKGCHMINDJLC-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2ccnn2C)[nH+]1 ZINC000635247077 345283528 /nfs/dbraw/zinc/28/35/28/345283528.db2.gz RWQZLBLWHLZJAD-UHFFFAOYSA-N 1 2 247.302 0.565 20 0 BCADLO CCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635247676 345283961 /nfs/dbraw/zinc/28/39/61/345283961.db2.gz CPNCEJZBYXGKLQ-NXEZZACHSA-N 1 2 237.303 0.744 20 0 BCADLO CCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635247676 345283964 /nfs/dbraw/zinc/28/39/64/345283964.db2.gz CPNCEJZBYXGKLQ-NXEZZACHSA-N 1 2 237.303 0.744 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1COCC1(C)C ZINC000622580076 345291327 /nfs/dbraw/zinc/29/13/27/345291327.db2.gz DZHFBLCOWCINLQ-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1COCC1(C)C ZINC000622580076 345291330 /nfs/dbraw/zinc/29/13/30/345291330.db2.gz DZHFBLCOWCINLQ-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO C[C@H](CNC(=O)c1cccnn1)Cn1cc[nH+]c1 ZINC000528632049 345300930 /nfs/dbraw/zinc/30/09/30/345300930.db2.gz DDZPGAPRDIYNCA-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(CO)c1 ZINC000635327574 345309407 /nfs/dbraw/zinc/30/94/07/345309407.db2.gz ZWZOJHMTOQFMBU-VIFPVBQESA-N 1 2 249.270 0.787 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635427763 345364217 /nfs/dbraw/zinc/36/42/17/345364217.db2.gz BYVOCXYRLUOOCW-OPRDCNLKSA-N 1 2 237.303 0.912 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635427763 345364219 /nfs/dbraw/zinc/36/42/19/345364219.db2.gz BYVOCXYRLUOOCW-OPRDCNLKSA-N 1 2 237.303 0.912 20 0 BCADLO CCOC(=O)[C@](C)(O)CNc1cc[nH+]cc1F ZINC000603336947 349927128 /nfs/dbraw/zinc/92/71/28/349927128.db2.gz DXCAHKQWSOCIJV-LLVKDONJSA-N 1 2 242.250 0.369 20 0 BCADLO CCOC(=O)[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000603336948 349927440 /nfs/dbraw/zinc/92/74/40/349927440.db2.gz DXCAHKQWSOCIJV-NSHDSACASA-N 1 2 242.250 0.369 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cnccn1 ZINC000080965179 345454993 /nfs/dbraw/zinc/45/49/93/345454993.db2.gz LSJSMADUCXHLGK-UHFFFAOYSA-N 1 2 236.319 0.241 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C(N)=O)C2)[nH+]1 ZINC000080788209 345447224 /nfs/dbraw/zinc/44/72/24/345447224.db2.gz LTVNKQXAEHLCHY-MRVPVSSYSA-N 1 2 245.286 0.578 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000641674809 362593495 /nfs/dbraw/zinc/59/34/95/362593495.db2.gz KLWFJHKFBAVBJS-IVZWLZJFSA-N 1 2 237.303 0.675 20 0 BCADLO c1cn(CCSCCc2nn[nH]n2)c[nH+]1 ZINC000603339625 349930379 /nfs/dbraw/zinc/93/03/79/349930379.db2.gz QGTAEFIUKFYWDL-UHFFFAOYSA-N 1 2 224.293 0.372 20 0 BCADLO CC(C)(N=c1ncnc2[nH][nH]cc1-2)c1[nH]cc[nH+]1 ZINC000641663163 362586185 /nfs/dbraw/zinc/58/61/85/362586185.db2.gz PAWGBDRPISGLHE-UHFFFAOYSA-N 1 2 243.274 0.797 20 0 BCADLO O=C1CC[C@@H](CNc2cc[nH+]cc2F)N1 ZINC000641660793 362587381 /nfs/dbraw/zinc/58/73/81/362587381.db2.gz KXPGDZPOSPNMSV-ZETCQYMHSA-N 1 2 209.224 0.333 20 0 BCADLO CN1CCN(c2cc(CO)cc[nH+]2)CCC1=O ZINC000641660695 362587752 /nfs/dbraw/zinc/58/77/52/362587752.db2.gz JHVUKGJSFWYCCS-UHFFFAOYSA-N 1 2 235.287 0.242 20 0 BCADLO O=C1CC[C@@H](CNc2cc(CO)cc[nH+]2)N1 ZINC000641660918 362587905 /nfs/dbraw/zinc/58/79/05/362587905.db2.gz NMGCVROFDGOSAH-VIFPVBQESA-N 1 2 221.260 0.264 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cn(C)nc1CC ZINC000678817636 488287387 /nfs/dbraw/zinc/28/73/87/488287387.db2.gz IMCABKMAHPHAHV-UHFFFAOYSA-N 1 2 238.335 0.550 20 0 BCADLO C[C@H](Nc1cc(C(N)=O)ncn1)c1[nH+]ccn1C ZINC000641665077 362590168 /nfs/dbraw/zinc/59/01/68/362590168.db2.gz QQXRDSBFFHHLQQ-ZETCQYMHSA-N 1 2 246.274 0.482 20 0 BCADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641674450 362591137 /nfs/dbraw/zinc/59/11/37/362591137.db2.gz LIZNGZDUBORUJQ-SECBINFHSA-N 1 2 223.251 0.675 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635530882 345464573 /nfs/dbraw/zinc/46/45/73/345464573.db2.gz LZADMJOGBCBLGA-OPRDCNLKSA-N 1 2 235.287 0.808 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635530882 345464575 /nfs/dbraw/zinc/46/45/75/345464575.db2.gz LZADMJOGBCBLGA-OPRDCNLKSA-N 1 2 235.287 0.808 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NC1(CO)CC1 ZINC000159849170 345567602 /nfs/dbraw/zinc/56/76/02/345567602.db2.gz JKMNNMWQFLPFNQ-UHFFFAOYSA-N 1 2 245.282 0.518 20 0 BCADLO COC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091515217 345596641 /nfs/dbraw/zinc/59/66/41/345596641.db2.gz UWAPVLAWYNWGCQ-UHFFFAOYSA-N 1 2 212.253 0.121 20 0 BCADLO CC(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091538474 345597243 /nfs/dbraw/zinc/59/72/43/345597243.db2.gz FPSUNWALUGUMBE-UHFFFAOYSA-N 1 2 210.281 0.718 20 0 BCADLO CC(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091538474 345597246 /nfs/dbraw/zinc/59/72/46/345597246.db2.gz FPSUNWALUGUMBE-UHFFFAOYSA-N 1 2 210.281 0.718 20 0 BCADLO CC[NH+](CC)[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587800 345599578 /nfs/dbraw/zinc/59/95/78/345599578.db2.gz ZCXHNYPZQATDJL-SECBINFHSA-N 1 2 239.323 0.014 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000092189306 345605478 /nfs/dbraw/zinc/60/54/78/345605478.db2.gz CIZBOFMPNMTAGP-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092189306 345605479 /nfs/dbraw/zinc/60/54/79/345605479.db2.gz CIZBOFMPNMTAGP-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](C)CO)cc[nH+]1 ZINC000091187216 345585988 /nfs/dbraw/zinc/58/59/88/345585988.db2.gz SMOUWMHMUBNNKN-QMMMGPOBSA-N 1 2 209.249 0.892 20 0 BCADLO COC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000641674043 362597858 /nfs/dbraw/zinc/59/78/58/362597858.db2.gz CRCCXTVLCCVYOI-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622628276 345668600 /nfs/dbraw/zinc/66/86/00/345668600.db2.gz REHNNEKOKHMUPN-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000093706266 345663147 /nfs/dbraw/zinc/66/31/47/345663147.db2.gz OORXCCIJWPUXDN-SNVBAGLBSA-N 1 2 238.287 0.305 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(COC)on1 ZINC000641703250 362612862 /nfs/dbraw/zinc/61/28/62/362612862.db2.gz KWZCLKWZDLKLPW-MRVPVSSYSA-N 1 2 241.291 0.435 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000641711940 362622888 /nfs/dbraw/zinc/62/28/88/362622888.db2.gz MDWKDSMFZGRJBP-UFBFGSQYSA-N 1 2 232.287 0.622 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000641711940 362622892 /nfs/dbraw/zinc/62/28/92/362622892.db2.gz MDWKDSMFZGRJBP-UFBFGSQYSA-N 1 2 232.287 0.622 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCN(C)C2=O)cc[nH+]1 ZINC000635552851 345643945 /nfs/dbraw/zinc/64/39/45/345643945.db2.gz ZCNVZUJRHTVJHX-ZDUSSCGKSA-N 1 2 247.298 0.619 20 0 BCADLO CCOC(=O)C1(C)CC[NH+](CC(=O)OC)CC1 ZINC000092823235 345644344 /nfs/dbraw/zinc/64/43/44/345644344.db2.gz YJANBLULHZNLHJ-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO Nc1[nH+]cnc(N2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000641712986 362625175 /nfs/dbraw/zinc/62/51/75/362625175.db2.gz ROIYDTORYUJAFU-CDUCUWFYSA-N 1 2 226.667 0.283 20 0 BCADLO Nc1nc[nH+]c(N2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000641712986 362625176 /nfs/dbraw/zinc/62/51/76/362625176.db2.gz ROIYDTORYUJAFU-CDUCUWFYSA-N 1 2 226.667 0.283 20 0 BCADLO CC[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000092896616 345647596 /nfs/dbraw/zinc/64/75/96/345647596.db2.gz FIKPDYZGNDXTCY-QMMMGPOBSA-N 1 2 222.248 0.214 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641678297 362600125 /nfs/dbraw/zinc/60/01/25/362600125.db2.gz VITZMPXSYZWZHX-LJGSYFOKSA-N 1 2 209.224 0.318 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093342511 345653452 /nfs/dbraw/zinc/65/34/52/345653452.db2.gz ISXLHDVPMFVSBI-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093342511 345653453 /nfs/dbraw/zinc/65/34/53/345653453.db2.gz ISXLHDVPMFVSBI-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO COCn1ccc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000668419566 537908399 /nfs/dbraw/zinc/90/83/99/537908399.db2.gz GVADRPJSGWYQHT-UHFFFAOYSA-N 1 2 246.270 0.865 20 0 BCADLO NC(=O)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000150251263 345738322 /nfs/dbraw/zinc/73/83/22/345738322.db2.gz BOWOUVGPTUEWQM-VIFPVBQESA-N 1 2 205.261 0.783 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000389711172 537910098 /nfs/dbraw/zinc/91/00/98/537910098.db2.gz VCRXCWXXVGDUSM-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000389711172 537910105 /nfs/dbraw/zinc/91/01/05/537910105.db2.gz VCRXCWXXVGDUSM-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO Cc1nc[nH]c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000635564666 345786742 /nfs/dbraw/zinc/78/67/42/345786742.db2.gz GNGXCDYFCIEOEA-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)Cc2cn[nH]c2)[nH+]1 ZINC000635564884 345787783 /nfs/dbraw/zinc/78/77/83/345787783.db2.gz JLBDFQVCSVZNHS-UHFFFAOYSA-N 1 2 247.302 0.896 20 0 BCADLO CC[C@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000160118882 345801793 /nfs/dbraw/zinc/80/17/93/345801793.db2.gz QKWVAZRMNDVQBH-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CCC[C@](C)(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685792 345801919 /nfs/dbraw/zinc/80/19/19/345801919.db2.gz KQGCZTQTIJKVHJ-LBPRGKRZSA-N 1 2 239.319 0.630 20 0 BCADLO C[C@@H](NC(=O)CN1CCCC1=O)c1[nH]cc[nH+]1 ZINC000141009751 345828515 /nfs/dbraw/zinc/82/85/15/345828515.db2.gz GYFCFSUAOPYVAM-MRVPVSSYSA-N 1 2 236.275 0.209 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000635590238 345884230 /nfs/dbraw/zinc/88/42/30/345884230.db2.gz SXOVHZARZFPVRM-VIFPVBQESA-N 1 2 225.292 0.823 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000635590238 345884233 /nfs/dbraw/zinc/88/42/33/345884233.db2.gz SXOVHZARZFPVRM-VIFPVBQESA-N 1 2 225.292 0.823 20 0 BCADLO O=C(NCC(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635633964 345908605 /nfs/dbraw/zinc/90/86/05/345908605.db2.gz OTBIDGAOKDJIJF-PHDIDXHHSA-N 1 2 215.203 0.895 20 0 BCADLO O=C(NCC(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635633964 345908609 /nfs/dbraw/zinc/90/86/09/345908609.db2.gz OTBIDGAOKDJIJF-PHDIDXHHSA-N 1 2 215.203 0.895 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)O ZINC000635634924 345909460 /nfs/dbraw/zinc/90/94/60/345909460.db2.gz FLWOJZMNBOGOBN-DJLDLDEBSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)O ZINC000635634924 345909463 /nfs/dbraw/zinc/90/94/63/345909463.db2.gz FLWOJZMNBOGOBN-DJLDLDEBSA-N 1 2 237.303 0.789 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC[C@@H](O)C3)cc2[nH+]1 ZINC000635637348 345912034 /nfs/dbraw/zinc/91/20/34/345912034.db2.gz JZLNUXJMMOKRGZ-LLVKDONJSA-N 1 2 245.282 0.850 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635642512 345915674 /nfs/dbraw/zinc/91/56/74/345915674.db2.gz SFNIOAPYWCCIJD-DJLDLDEBSA-N 1 2 223.276 0.352 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635642512 345915676 /nfs/dbraw/zinc/91/56/76/345915676.db2.gz SFNIOAPYWCCIJD-DJLDLDEBSA-N 1 2 223.276 0.352 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635643172 345918627 /nfs/dbraw/zinc/91/86/27/345918627.db2.gz FDPZVORELCOFOS-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635643172 345918630 /nfs/dbraw/zinc/91/86/30/345918630.db2.gz FDPZVORELCOFOS-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000309844512 187311290 /nfs/dbraw/zinc/31/12/90/187311290.db2.gz FWRWXEQQLVUILE-QWRGUYRKSA-N 1 2 225.292 0.348 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635665386 345967459 /nfs/dbraw/zinc/96/74/59/345967459.db2.gz LBHSIKSHHWXMEJ-FOGDFJRCSA-N 1 2 249.314 0.743 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635665386 345967461 /nfs/dbraw/zinc/96/74/61/345967461.db2.gz LBHSIKSHHWXMEJ-FOGDFJRCSA-N 1 2 249.314 0.743 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635693643 345979155 /nfs/dbraw/zinc/97/91/55/345979155.db2.gz KKXAZMLJYFFARJ-KKZNHRDASA-N 1 2 237.303 0.646 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635693643 345979158 /nfs/dbraw/zinc/97/91/58/345979158.db2.gz KKXAZMLJYFFARJ-KKZNHRDASA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635700109 345988613 /nfs/dbraw/zinc/98/86/13/345988613.db2.gz XGRJZHIUKRAHIH-SGIHWFKDSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635700109 345988614 /nfs/dbraw/zinc/98/86/14/345988614.db2.gz XGRJZHIUKRAHIH-SGIHWFKDSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635700108 345988651 /nfs/dbraw/zinc/98/86/51/345988651.db2.gz XGRJZHIUKRAHIH-AXTSPUMRSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635700108 345988653 /nfs/dbraw/zinc/98/86/53/345988653.db2.gz XGRJZHIUKRAHIH-AXTSPUMRSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635754081 346050523 /nfs/dbraw/zinc/05/05/23/346050523.db2.gz QZBIVEKJYVSNJG-DJLDLDEBSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635754081 346050527 /nfs/dbraw/zinc/05/05/27/346050527.db2.gz QZBIVEKJYVSNJG-DJLDLDEBSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC000635742716 346054643 /nfs/dbraw/zinc/05/46/43/346054643.db2.gz HOQUKKGGVOISLM-BTQIBKBOSA-N 1 2 249.314 0.743 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC000635742716 346054645 /nfs/dbraw/zinc/05/46/45/346054645.db2.gz HOQUKKGGVOISLM-BTQIBKBOSA-N 1 2 249.314 0.743 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000635714613 346026124 /nfs/dbraw/zinc/02/61/24/346026124.db2.gz DOODAYQAEBBMIB-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000635714613 346026126 /nfs/dbraw/zinc/02/61/26/346026126.db2.gz DOODAYQAEBBMIB-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO CC[C@H](Cn1cncn1)[NH2+]Cc1ccn[nH]1 ZINC000390421656 259387600 /nfs/dbraw/zinc/38/76/00/259387600.db2.gz KALKLQOJTJRDST-SECBINFHSA-N 1 2 220.280 0.570 20 0 BCADLO Cc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1 ZINC000148574533 346037205 /nfs/dbraw/zinc/03/72/05/346037205.db2.gz YWXZNURRPRGPHV-UHFFFAOYSA-N 1 2 233.315 0.602 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000617866082 346044929 /nfs/dbraw/zinc/04/49/29/346044929.db2.gz HFYGCGSAJBEJFZ-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000617866082 346044931 /nfs/dbraw/zinc/04/49/31/346044931.db2.gz HFYGCGSAJBEJFZ-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO CCc1c[nH]c(CC(=O)NC(C)(C)[C@@H](C)O)[nH+]1 ZINC000635753595 346049643 /nfs/dbraw/zinc/04/96/43/346049643.db2.gz NKFDHVKBUBEEAC-MRVPVSSYSA-N 1 2 239.319 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000635790112 346070346 /nfs/dbraw/zinc/07/03/46/346070346.db2.gz BYTXKJSZJBEVFK-IUCAKERBSA-N 1 2 239.319 0.790 20 0 BCADLO CCCc1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000051821681 346085012 /nfs/dbraw/zinc/08/50/12/346085012.db2.gz JYIFJGPSIFJVTE-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCCc1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000051821681 346085016 /nfs/dbraw/zinc/08/50/16/346085016.db2.gz JYIFJGPSIFJVTE-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1=O ZINC000635832825 346086003 /nfs/dbraw/zinc/08/60/03/346086003.db2.gz XUECGGDNDGOTMH-OPRDCNLKSA-N 1 2 247.298 0.951 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1=O ZINC000635832825 346086005 /nfs/dbraw/zinc/08/60/05/346086005.db2.gz XUECGGDNDGOTMH-OPRDCNLKSA-N 1 2 247.298 0.951 20 0 BCADLO CCN1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC000635869231 346098515 /nfs/dbraw/zinc/09/85/15/346098515.db2.gz YLEDKEZDFDVZAK-RKDXNWHRSA-N 1 2 248.286 0.161 20 0 BCADLO CCN1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC000635869231 346098516 /nfs/dbraw/zinc/09/85/16/346098516.db2.gz YLEDKEZDFDVZAK-RKDXNWHRSA-N 1 2 248.286 0.161 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2nnc(C)n2C)[nH+]1 ZINC000635792043 346063707 /nfs/dbraw/zinc/06/37/07/346063707.db2.gz BAXVVSKQTFPTBI-UHFFFAOYSA-N 1 2 248.290 0.590 20 0 BCADLO CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916968 346064478 /nfs/dbraw/zinc/06/44/78/346064478.db2.gz CVSBKFWMIWXVRV-UHFFFAOYSA-N 1 2 200.282 0.187 20 0 BCADLO O=C(NCC1(CO)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635794141 346064998 /nfs/dbraw/zinc/06/49/98/346064998.db2.gz IOWYAMRPIWJFJY-NXEZZACHSA-N 1 2 249.314 0.792 20 0 BCADLO O=C(NCC1(CO)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635794141 346065000 /nfs/dbraw/zinc/06/50/00/346065000.db2.gz IOWYAMRPIWJFJY-NXEZZACHSA-N 1 2 249.314 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCn3nccc32)[nH+]1 ZINC000635908784 346110862 /nfs/dbraw/zinc/11/08/62/346110862.db2.gz NWXCOSNWEXOXMV-UHFFFAOYSA-N 1 2 245.286 0.758 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCCCN2)[nH+]1 ZINC000635920936 346114854 /nfs/dbraw/zinc/11/48/54/346114854.db2.gz FLIFLPJVTFSIGE-UHFFFAOYSA-N 1 2 222.292 0.642 20 0 BCADLO Cc1nc[nH]c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000635945865 346119446 /nfs/dbraw/zinc/11/94/46/346119446.db2.gz WYDDTOUWTWLTBM-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO CCc1c[nH]c(CC(=O)N2Cc3c[nH]nc3C2)[nH+]1 ZINC000635949676 346120790 /nfs/dbraw/zinc/12/07/90/346120790.db2.gz JMGBVXDNXOKJHX-UHFFFAOYSA-N 1 2 245.286 0.780 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@@H]2C[C@@H]21 ZINC000635956202 346131677 /nfs/dbraw/zinc/13/16/77/346131677.db2.gz VWMODCHROGWMSE-DEKFOEGESA-N 1 2 233.271 0.513 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H]2C[C@@H]21 ZINC000635956202 346131678 /nfs/dbraw/zinc/13/16/78/346131678.db2.gz VWMODCHROGWMSE-DEKFOEGESA-N 1 2 233.271 0.513 20 0 BCADLO COC(=O)C[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577077869 365808168 /nfs/dbraw/zinc/80/81/68/365808168.db2.gz VGKIMOUGLXVHEE-JGVFFNPUSA-N 1 2 239.275 0.786 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](C)C[C@H]2C(N)=O)[nH+]1 ZINC000628241593 346201133 /nfs/dbraw/zinc/20/11/33/346201133.db2.gz BDEMYYYWPCPBMZ-SCZZXKLOSA-N 1 2 236.319 0.804 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000628247434 346215677 /nfs/dbraw/zinc/21/56/77/346215677.db2.gz ANMCOUZVADMFTE-NHCYSSNCSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000628247434 346215679 /nfs/dbraw/zinc/21/56/79/346215679.db2.gz ANMCOUZVADMFTE-NHCYSSNCSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](F)C[C@H]2CO)[nH+]1 ZINC000628243963 346207587 /nfs/dbraw/zinc/20/75/87/346207587.db2.gz NZRWKGNQWOIBBX-BDAKNGLRSA-N 1 2 213.256 0.623 20 0 BCADLO CCOCCOC1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628233939 346187074 /nfs/dbraw/zinc/18/70/74/346187074.db2.gz COCIFJYCKPXAHG-UHFFFAOYSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000628247164 346214354 /nfs/dbraw/zinc/21/43/54/346214354.db2.gz QHGOVGNZWJZALC-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000628247164 346214355 /nfs/dbraw/zinc/21/43/55/346214355.db2.gz QHGOVGNZWJZALC-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636036255 346197945 /nfs/dbraw/zinc/19/79/45/346197945.db2.gz ZOPPIPMAUBRXLA-HNBLOZHYSA-N 1 2 235.287 0.543 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636036255 346197950 /nfs/dbraw/zinc/19/79/50/346197950.db2.gz ZOPPIPMAUBRXLA-HNBLOZHYSA-N 1 2 235.287 0.543 20 0 BCADLO CC(C)(C(N)=O)[NH+]1CCN(CC(F)F)CC1 ZINC000673713535 488305357 /nfs/dbraw/zinc/30/53/57/488305357.db2.gz GMQWNUREHSKQFX-UHFFFAOYSA-N 1 2 235.278 0.133 20 0 BCADLO CCN(CC(N)=O)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628250409 346217106 /nfs/dbraw/zinc/21/71/06/346217106.db2.gz OOYZJGCEHFXJDQ-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)COC(C)(C)C ZINC000121563854 349944161 /nfs/dbraw/zinc/94/41/61/349944161.db2.gz ZXPGUFAMIDPCPK-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000035189103 179010433 /nfs/dbraw/zinc/01/04/33/179010433.db2.gz YEUZMVCJWKFYGB-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N(CC3CC3)C2)[nH+]1 ZINC000628254537 346238476 /nfs/dbraw/zinc/23/84/76/346238476.db2.gz FLIHZVYJCHHQEV-UHFFFAOYSA-N 1 2 234.303 0.730 20 0 BCADLO Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000299422984 179018249 /nfs/dbraw/zinc/01/82/49/179018249.db2.gz FLZQAVOTFQLKCH-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000299422984 179018251 /nfs/dbraw/zinc/01/82/51/179018251.db2.gz FLZQAVOTFQLKCH-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO COCCOCC[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628283165 346295193 /nfs/dbraw/zinc/29/51/93/346295193.db2.gz IKPBSEDRDZJOBZ-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628283165 346295194 /nfs/dbraw/zinc/29/51/94/346295194.db2.gz IKPBSEDRDZJOBZ-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CO)CCF)[nH+]1 ZINC000636127892 346328841 /nfs/dbraw/zinc/32/88/41/346328841.db2.gz IINHQSPPRUMHNJ-VIFPVBQESA-N 1 2 243.282 0.351 20 0 BCADLO Cc1n[nH]cc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000636067498 346307953 /nfs/dbraw/zinc/30/79/53/346307953.db2.gz UCLZISMKTLQLIP-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@H]1CCCCNC1=O)C2 ZINC000363473054 537969360 /nfs/dbraw/zinc/96/93/60/537969360.db2.gz XSFOLLKVWIDMGW-LBPRGKRZSA-N 1 2 248.330 0.447 20 0 BCADLO COc1ncncc1CNc1cc(CO)cc[nH+]1 ZINC000641762276 362697203 /nfs/dbraw/zinc/69/72/03/362697203.db2.gz JSSZBXFFTIRPKH-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO COC[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000684456282 488315450 /nfs/dbraw/zinc/31/54/50/488315450.db2.gz XGLBLHNIGWJHNJ-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO COc1cncc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000636226643 346360385 /nfs/dbraw/zinc/36/03/85/346360385.db2.gz ZEBODDPXMIQNFD-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@]2(C)OC)[nH+]1 ZINC000636228380 346361293 /nfs/dbraw/zinc/36/12/93/346361293.db2.gz BIFNBDNVGQMSFC-SKDRFNHKSA-N 1 2 237.303 0.808 20 0 BCADLO O=C(NCCOCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636239145 346365022 /nfs/dbraw/zinc/36/50/22/346365022.db2.gz ZBRBDECQSLPBCU-RKDXNWHRSA-N 1 2 241.266 0.616 20 0 BCADLO O=C(NCCOCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636239145 346365025 /nfs/dbraw/zinc/36/50/25/346365025.db2.gz ZBRBDECQSLPBCU-RKDXNWHRSA-N 1 2 241.266 0.616 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCOCCF)[nH+]1 ZINC000636238652 346365234 /nfs/dbraw/zinc/36/52/34/346365234.db2.gz QGGYHYPNFUJILO-UHFFFAOYSA-N 1 2 243.282 0.617 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563372112 323121732 /nfs/dbraw/zinc/12/17/32/323121732.db2.gz VJIHOBYMQKJYGV-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563372112 323121733 /nfs/dbraw/zinc/12/17/33/323121733.db2.gz VJIHOBYMQKJYGV-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563371099 323121765 /nfs/dbraw/zinc/12/17/65/323121765.db2.gz JOWVCSNFOHKEHU-VIFPVBQESA-N 1 2 214.309 0.215 20 0 BCADLO CC[C@@H]([NH2+]CCc1nccnc1C)C(=O)OC ZINC000419196203 192101905 /nfs/dbraw/zinc/10/19/05/192101905.db2.gz ZBIUNSUVHYFRRT-SNVBAGLBSA-N 1 2 237.303 0.869 20 0 BCADLO O=C(CCC(F)F)NC[C@H]1C[NH+]2CCN1CC2 ZINC000684464593 488316785 /nfs/dbraw/zinc/31/67/85/488316785.db2.gz AYPQOAPHAPHNOW-VIFPVBQESA-N 1 2 247.289 0.148 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563386482 323122297 /nfs/dbraw/zinc/12/22/97/323122297.db2.gz IRQXYPAUGKNYKG-VHSXEESVSA-N 1 2 228.336 0.868 20 0 BCADLO Cc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000336553944 179068660 /nfs/dbraw/zinc/06/86/60/179068660.db2.gz KGRINPIKVVBALW-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000336553944 179068663 /nfs/dbraw/zinc/06/86/63/179068663.db2.gz KGRINPIKVVBALW-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)Nc2cnns2)C1 ZINC000574925902 346415107 /nfs/dbraw/zinc/41/51/07/346415107.db2.gz OVGDDGCUDYJDPH-ZETCQYMHSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cnns2)C1 ZINC000574925902 346415108 /nfs/dbraw/zinc/41/51/08/346415108.db2.gz OVGDDGCUDYJDPH-ZETCQYMHSA-N 1 2 226.305 0.818 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332598906 346420456 /nfs/dbraw/zinc/42/04/56/346420456.db2.gz ALMCHQZHBBABAS-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332598906 346420459 /nfs/dbraw/zinc/42/04/59/346420459.db2.gz ALMCHQZHBBABAS-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1F ZINC000679219490 488318509 /nfs/dbraw/zinc/31/85/09/488318509.db2.gz CXBJZRZSYKSVEB-WCBMZHEXSA-N 1 2 214.284 0.945 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1F ZINC000679219490 488318512 /nfs/dbraw/zinc/31/85/12/488318512.db2.gz CXBJZRZSYKSVEB-WCBMZHEXSA-N 1 2 214.284 0.945 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCn2nccc21 ZINC000636372469 346422091 /nfs/dbraw/zinc/42/20/91/346422091.db2.gz KFQCKDNKWNTFEX-SNVBAGLBSA-N 1 2 245.286 0.731 20 0 BCADLO CO[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000618137343 346426920 /nfs/dbraw/zinc/42/69/20/346426920.db2.gz RRCJPCZMSYUWEX-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332769763 346435776 /nfs/dbraw/zinc/43/57/76/346435776.db2.gz BSXBOOYKJSDPAQ-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332769763 346435780 /nfs/dbraw/zinc/43/57/80/346435780.db2.gz BSXBOOYKJSDPAQ-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000332849252 346456299 /nfs/dbraw/zinc/45/62/99/346456299.db2.gz SIGVIQBKRJLTIZ-PSASIEDQSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000332849252 346456300 /nfs/dbraw/zinc/45/63/00/346456300.db2.gz SIGVIQBKRJLTIZ-PSASIEDQSA-N 1 2 223.276 0.636 20 0 BCADLO C[N@H+](CC(=O)Nc1nn[nH]n1)C1CC(C)(C)C1 ZINC000574970407 346475846 /nfs/dbraw/zinc/47/58/46/346475846.db2.gz INAIZYPSJMANSB-UHFFFAOYSA-N 1 2 238.295 0.259 20 0 BCADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)C1CC(C)(C)C1 ZINC000574970407 346475849 /nfs/dbraw/zinc/47/58/49/346475849.db2.gz INAIZYPSJMANSB-UHFFFAOYSA-N 1 2 238.295 0.259 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2cn[nH]c2C1 ZINC000332905276 346483889 /nfs/dbraw/zinc/48/38/89/346483889.db2.gz BGDKWZKFLADZKC-JQWIXIFHSA-N 1 2 248.330 0.477 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2cn[nH]c2C1 ZINC000332905276 346483891 /nfs/dbraw/zinc/48/38/91/346483891.db2.gz BGDKWZKFLADZKC-JQWIXIFHSA-N 1 2 248.330 0.477 20 0 BCADLO CC[C@H](C[N@@H+]1CC[S@@](=O)[C@@H](C)C1)OC ZINC000419204790 192103631 /nfs/dbraw/zinc/10/36/31/192103631.db2.gz JKEDDNQBFBOUCA-IMSIIYSGSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@H](C[N@H+]1CC[S@@](=O)[C@@H](C)C1)OC ZINC000419204790 192103633 /nfs/dbraw/zinc/10/36/33/192103633.db2.gz JKEDDNQBFBOUCA-IMSIIYSGSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@H](C[N@@H+]1CC[S@](=O)[C@@H](C)C1)OC ZINC000419204792 192104071 /nfs/dbraw/zinc/10/40/71/192104071.db2.gz JKEDDNQBFBOUCA-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@H](C[N@H+]1CC[S@](=O)[C@@H](C)C1)OC ZINC000419204792 192104072 /nfs/dbraw/zinc/10/40/72/192104072.db2.gz JKEDDNQBFBOUCA-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088372141 179114393 /nfs/dbraw/zinc/11/43/93/179114393.db2.gz XRMCECDDCZPLCF-GFCCVEGCSA-N 1 2 234.299 0.946 20 0 BCADLO CCc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)nc1 ZINC000577121945 365825962 /nfs/dbraw/zinc/82/59/62/365825962.db2.gz KWDPQTIYBPKMDZ-CYBMUJFWSA-N 1 2 249.314 0.378 20 0 BCADLO CC(=O)CCC(=O)NCCCn1cc[nH+]c1 ZINC000201884785 346576931 /nfs/dbraw/zinc/57/69/31/346576931.db2.gz DBSCFYCTKUTQPX-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO COC[C@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636454295 346582110 /nfs/dbraw/zinc/58/21/10/346582110.db2.gz ACWYORGTXBEPIK-DTWKUNHWSA-N 1 2 238.291 0.142 20 0 BCADLO COC[C@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636454296 346582199 /nfs/dbraw/zinc/58/21/99/346582199.db2.gz ACWYORGTXBEPIK-IUCAKERBSA-N 1 2 238.291 0.142 20 0 BCADLO COC[C@](C)([NH2+]CC(C)C)C(=O)OC ZINC000053199318 346596262 /nfs/dbraw/zinc/59/62/62/346596262.db2.gz VVGXIEJOTIQFSR-JTQLQIEISA-N 1 2 203.282 0.810 20 0 BCADLO COC[C@@](C)([NH2+]CC(C)C)C(=O)OC ZINC000053199319 346596357 /nfs/dbraw/zinc/59/63/57/346596357.db2.gz VVGXIEJOTIQFSR-SNVBAGLBSA-N 1 2 203.282 0.810 20 0 BCADLO Cc1[nH]c(CN[C@H]2CC(=O)N(C)C2)[nH+]c1C ZINC000563550478 323129961 /nfs/dbraw/zinc/12/99/61/323129961.db2.gz SDWOAYDUODMAQD-VIFPVBQESA-N 1 2 222.292 0.347 20 0 BCADLO C[C@@H](C[NH2+]Cc1ncccc1F)S(C)(=O)=O ZINC000580185192 346630385 /nfs/dbraw/zinc/63/03/85/346630385.db2.gz BANWRLWQFGCGQH-QMMMGPOBSA-N 1 2 246.307 0.743 20 0 BCADLO C[C@H](C[NH2+]Cc1ncccc1F)S(C)(=O)=O ZINC000580185189 346630602 /nfs/dbraw/zinc/63/06/02/346630602.db2.gz BANWRLWQFGCGQH-MRVPVSSYSA-N 1 2 246.307 0.743 20 0 BCADLO O=C(CC[NH2+]Cc1ccn[nH]1)Nc1ccccn1 ZINC000589645845 346725240 /nfs/dbraw/zinc/72/52/40/346725240.db2.gz BLVNLEDXELHOKN-UHFFFAOYSA-N 1 2 245.286 0.923 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC1CCCC1)C2 ZINC000336602741 187370128 /nfs/dbraw/zinc/37/01/28/187370128.db2.gz IIOIJUUEEHRUES-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC1CCCC1)C2 ZINC000336602741 187370131 /nfs/dbraw/zinc/37/01/31/187370131.db2.gz IIOIJUUEEHRUES-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1N=NC2C[N@H+](CC3CCCC3)CCN12 ZINC000336602741 187370133 /nfs/dbraw/zinc/37/01/33/187370133.db2.gz IIOIJUUEEHRUES-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1N=NC2C[N@@H+](CC3CCCC3)CCN12 ZINC000336602741 187370136 /nfs/dbraw/zinc/37/01/36/187370136.db2.gz IIOIJUUEEHRUES-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626172671 346726914 /nfs/dbraw/zinc/72/69/14/346726914.db2.gz DJDGYMANAHNMQF-GFCCVEGCSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626172671 346726918 /nfs/dbraw/zinc/72/69/18/346726918.db2.gz DJDGYMANAHNMQF-GFCCVEGCSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)CCNC(C)=O ZINC000308124663 346688799 /nfs/dbraw/zinc/68/87/99/346688799.db2.gz XGHVZVQSQDGJEB-SNVBAGLBSA-N 1 2 228.292 0.006 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)CCNC(C)=O ZINC000308124663 346688800 /nfs/dbraw/zinc/68/88/00/346688800.db2.gz XGHVZVQSQDGJEB-SNVBAGLBSA-N 1 2 228.292 0.006 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccn(C)n1 ZINC000589443040 346700773 /nfs/dbraw/zinc/70/07/73/346700773.db2.gz FEAGSCWJNMFBGF-UHFFFAOYSA-N 1 2 233.275 0.426 20 0 BCADLO NC(=O)[C@H](NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000589832480 346741750 /nfs/dbraw/zinc/74/17/50/346741750.db2.gz HBCUJCCSQXYYGY-LLVKDONJSA-N 1 2 230.271 0.726 20 0 BCADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nncn1C ZINC000182647776 346804922 /nfs/dbraw/zinc/80/49/22/346804922.db2.gz AJLXDACMDQUJBC-VIFPVBQESA-N 1 2 240.307 0.589 20 0 BCADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nncn1C ZINC000182647776 346804923 /nfs/dbraw/zinc/80/49/23/346804923.db2.gz AJLXDACMDQUJBC-VIFPVBQESA-N 1 2 240.307 0.589 20 0 BCADLO Cc1cc(N2C[C@@H](O)C(C)(C)C2)nc[nH+]1 ZINC000387871443 347115286 /nfs/dbraw/zinc/11/52/86/347115286.db2.gz KAXYEIROPXYJAB-SECBINFHSA-N 1 2 207.277 0.992 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCn1cccn1 ZINC000193344130 259393980 /nfs/dbraw/zinc/39/39/80/259393980.db2.gz XYOHKOQCBPEZNK-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCn1cccn1 ZINC000193344130 259393981 /nfs/dbraw/zinc/39/39/81/259393981.db2.gz XYOHKOQCBPEZNK-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO CN(CCCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622005644 370657067 /nfs/dbraw/zinc/65/70/67/370657067.db2.gz IYRGTSODTOZHJC-UHFFFAOYSA-N 1 2 225.292 0.528 20 0 BCADLO O=C(C[NH+]1CCOCC1)N1CC=CCC1 ZINC000679326744 488332097 /nfs/dbraw/zinc/33/20/97/488332097.db2.gz SQCPQYUEABNNAI-UHFFFAOYSA-N 1 2 210.277 0.107 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000380709095 347252472 /nfs/dbraw/zinc/25/24/72/347252472.db2.gz MSWNFPJBHBHTEX-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000310199682 347241438 /nfs/dbraw/zinc/24/14/38/347241438.db2.gz APHILBWFVWARSD-JTQLQIEISA-N 1 2 237.303 0.645 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1CCC(O)CC1 ZINC000310346061 347269634 /nfs/dbraw/zinc/26/96/34/347269634.db2.gz GANPKHMEUUOHGV-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO CC(C)=CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000191804699 347360705 /nfs/dbraw/zinc/36/07/05/347360705.db2.gz FOOFJMURFNFAKQ-GFCCVEGCSA-N 1 2 239.363 0.705 20 0 BCADLO Cc1cn(C)nc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921220 347450414 /nfs/dbraw/zinc/45/04/14/347450414.db2.gz JVYQFKZVVAZVRP-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1cn(C)nc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921220 347450416 /nfs/dbraw/zinc/45/04/16/347450416.db2.gz JVYQFKZVVAZVRP-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CCn1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616921687 347451618 /nfs/dbraw/zinc/45/16/18/347451618.db2.gz ZINFAJNXUKYUCS-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616921687 347451619 /nfs/dbraw/zinc/45/16/19/347451619.db2.gz ZINFAJNXUKYUCS-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000616922823 347453220 /nfs/dbraw/zinc/45/32/20/347453220.db2.gz LKJSIEYMXCLOCT-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000616922823 347453223 /nfs/dbraw/zinc/45/32/23/347453223.db2.gz LKJSIEYMXCLOCT-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCn1cccn1 ZINC000616923477 347453330 /nfs/dbraw/zinc/45/33/30/347453330.db2.gz IXPIBRHIWUZBDY-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCn1cccn1 ZINC000616923477 347453332 /nfs/dbraw/zinc/45/33/32/347453332.db2.gz IXPIBRHIWUZBDY-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923593 347454453 /nfs/dbraw/zinc/45/44/53/347454453.db2.gz NGCZRZXFDOVODB-UWVGGRQHSA-N 1 2 223.276 0.793 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923593 347454456 /nfs/dbraw/zinc/45/44/56/347454456.db2.gz NGCZRZXFDOVODB-UWVGGRQHSA-N 1 2 223.276 0.793 20 0 BCADLO CC(C)OCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924229 347454722 /nfs/dbraw/zinc/45/47/22/347454722.db2.gz ARHKEZDVXZFGNS-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO CC(C)OCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924229 347454726 /nfs/dbraw/zinc/45/47/26/347454726.db2.gz ARHKEZDVXZFGNS-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923829 347454994 /nfs/dbraw/zinc/45/49/94/347454994.db2.gz WQYJDWOYXGUQTE-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923829 347454996 /nfs/dbraw/zinc/45/49/96/347454996.db2.gz WQYJDWOYXGUQTE-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000616927707 347455690 /nfs/dbraw/zinc/45/56/90/347455690.db2.gz OXWJWAJUHHXDPZ-DTWKUNHWSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000616927707 347455692 /nfs/dbraw/zinc/45/56/92/347455692.db2.gz OXWJWAJUHHXDPZ-DTWKUNHWSA-N 1 2 223.276 0.793 20 0 BCADLO CC[N@@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000364456402 347435571 /nfs/dbraw/zinc/43/55/71/347435571.db2.gz QQCSCHNZABFZCH-LURJTMIESA-N 1 2 210.237 0.325 20 0 BCADLO CC[N@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000364456402 347435574 /nfs/dbraw/zinc/43/55/74/347435574.db2.gz QQCSCHNZABFZCH-LURJTMIESA-N 1 2 210.237 0.325 20 0 BCADLO O=C(NCc1cc[nH]n1)N1CCn2c[nH+]cc2C1 ZINC000642037814 362832354 /nfs/dbraw/zinc/83/23/54/362832354.db2.gz RCQCXXBNQDUYLZ-UHFFFAOYSA-N 1 2 246.274 0.332 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)c1ccco1 ZINC000493028545 347486316 /nfs/dbraw/zinc/48/63/16/347486316.db2.gz URUFXBSAKGUHKI-XOULXFPDSA-N 1 2 247.254 0.866 20 0 BCADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)C ZINC000011638400 347463160 /nfs/dbraw/zinc/46/31/60/347463160.db2.gz VTKKGQRIJVAXSY-SECBINFHSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)C ZINC000011638400 347463163 /nfs/dbraw/zinc/46/31/63/347463163.db2.gz VTKKGQRIJVAXSY-SECBINFHSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)C ZINC000011638401 347463300 /nfs/dbraw/zinc/46/33/00/347463300.db2.gz VTKKGQRIJVAXSY-VIFPVBQESA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)C ZINC000011638401 347463302 /nfs/dbraw/zinc/46/33/02/347463302.db2.gz VTKKGQRIJVAXSY-VIFPVBQESA-N 1 2 239.275 0.266 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC[C@H](C)O ZINC000590707805 347497950 /nfs/dbraw/zinc/49/79/50/347497950.db2.gz UYXIFDGIIYVBPX-WDEREUQCSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC[C@H](C)O ZINC000590707805 347497953 /nfs/dbraw/zinc/49/79/53/347497953.db2.gz UYXIFDGIIYVBPX-WDEREUQCSA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)[C@@H](COCC)C(=O)OC ZINC000590707817 347498036 /nfs/dbraw/zinc/49/80/36/347498036.db2.gz WHMJZJKOXQTFLF-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)[C@@H](COCC)C(=O)OC ZINC000590707817 347498040 /nfs/dbraw/zinc/49/80/40/347498040.db2.gz WHMJZJKOXQTFLF-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590752762 347504512 /nfs/dbraw/zinc/50/45/12/347504512.db2.gz YCOMUZMFILQDTE-AEJSXWLSSA-N 1 2 243.303 0.869 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577230095 365892520 /nfs/dbraw/zinc/89/25/20/365892520.db2.gz HIEXYKSGKVXDAN-GHMZBOCLSA-N 1 2 242.363 0.851 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1[nH+]ccn1C ZINC000590737490 347501580 /nfs/dbraw/zinc/50/15/80/347501580.db2.gz DTCRHGHCGNXSIY-SECBINFHSA-N 1 2 237.303 0.851 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000616980168 347555650 /nfs/dbraw/zinc/55/56/50/347555650.db2.gz AZJRDCFZLOFXCO-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000616980168 347555653 /nfs/dbraw/zinc/55/56/53/347555653.db2.gz AZJRDCFZLOFXCO-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCCCO)C(C)(C)C ZINC000591019324 347605413 /nfs/dbraw/zinc/60/54/13/347605413.db2.gz VQSXVYUXOMYCAO-SECBINFHSA-N 1 2 217.309 0.936 20 0 BCADLO CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590855465 347575128 /nfs/dbraw/zinc/57/51/28/347575128.db2.gz YZEXZUDGXIIFOW-SECBINFHSA-N 1 2 208.265 0.859 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CCC1 ZINC000364828408 347552065 /nfs/dbraw/zinc/55/20/65/347552065.db2.gz CFKIPSSNAOSXOS-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CCC1 ZINC000364828408 347552066 /nfs/dbraw/zinc/55/20/66/347552066.db2.gz CFKIPSSNAOSXOS-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000636644419 347646434 /nfs/dbraw/zinc/64/64/34/347646434.db2.gz UFUQRXFCJHECAH-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000636644419 347646437 /nfs/dbraw/zinc/64/64/37/347646437.db2.gz UFUQRXFCJHECAH-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](CC)OC ZINC000591376525 347650700 /nfs/dbraw/zinc/65/07/00/347650700.db2.gz GVMWOENXKRDINJ-WDEREUQCSA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](CC)OC ZINC000591376525 347650702 /nfs/dbraw/zinc/65/07/02/347650702.db2.gz GVMWOENXKRDINJ-WDEREUQCSA-N 1 2 247.335 0.921 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(CO)c(F)c1 ZINC000343468557 133685428 /nfs/dbraw/zinc/68/54/28/133685428.db2.gz FGEZOSVXUKURNU-UHFFFAOYSA-N 1 2 249.245 0.971 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H](OC)C1CC1 ZINC000591846075 347706299 /nfs/dbraw/zinc/70/62/99/347706299.db2.gz CRNNDTIQZNTCSW-DCAQKATOSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](OC)C1CC1 ZINC000591846075 347706301 /nfs/dbraw/zinc/70/63/01/347706301.db2.gz CRNNDTIQZNTCSW-DCAQKATOSA-N 1 2 245.294 0.997 20 0 BCADLO CCc1nnc2n1CCN(Cc1[nH+]ccn1C)C2 ZINC000591890919 347712080 /nfs/dbraw/zinc/71/20/80/347712080.db2.gz YLTKBZKJWDYAPF-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000200175964 347800595 /nfs/dbraw/zinc/80/05/95/347800595.db2.gz VRWZCLFNRXTZIR-ZJUUUORDSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000200175964 347800596 /nfs/dbraw/zinc/80/05/96/347800596.db2.gz VRWZCLFNRXTZIR-ZJUUUORDSA-N 1 2 212.293 0.232 20 0 BCADLO CCNC(=O)CN(C)Cc1cc(OC)cc[nH+]1 ZINC000592806908 347818289 /nfs/dbraw/zinc/81/82/89/347818289.db2.gz RYWHWUQHRLRKKN-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000593047655 347843873 /nfs/dbraw/zinc/84/38/73/347843873.db2.gz BOZOMAWZLAHEDM-UHFFFAOYSA-N 1 2 249.261 0.563 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000593047655 347843876 /nfs/dbraw/zinc/84/38/76/347843876.db2.gz BOZOMAWZLAHEDM-UHFFFAOYSA-N 1 2 249.261 0.563 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014235 347844614 /nfs/dbraw/zinc/84/46/14/347844614.db2.gz XPEPVONLUVMHLY-TWTBIMQBSA-N 1 2 244.360 0.106 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014235 347844615 /nfs/dbraw/zinc/84/46/15/347844615.db2.gz XPEPVONLUVMHLY-TWTBIMQBSA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](CC)CO1 ZINC000593057315 347848093 /nfs/dbraw/zinc/84/80/93/347848093.db2.gz FMPWKJFCCZQPGA-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](CC)CO1 ZINC000593057315 347848095 /nfs/dbraw/zinc/84/80/95/347848095.db2.gz FMPWKJFCCZQPGA-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096500 347854373 /nfs/dbraw/zinc/85/43/73/347854373.db2.gz WRTAYZKVIRQLFM-TWTBIMQBSA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096500 347854374 /nfs/dbraw/zinc/85/43/74/347854374.db2.gz WRTAYZKVIRQLFM-TWTBIMQBSA-N 1 2 244.360 0.106 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593099588 347856797 /nfs/dbraw/zinc/85/67/97/347856797.db2.gz JTPSDVNCPFMTMJ-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593099588 347856800 /nfs/dbraw/zinc/85/68/00/347856800.db2.gz JTPSDVNCPFMTMJ-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101505 347858055 /nfs/dbraw/zinc/85/80/55/347858055.db2.gz WEYGZAQTOOVPEA-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101505 347858056 /nfs/dbraw/zinc/85/80/56/347858056.db2.gz WEYGZAQTOOVPEA-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO CC[C@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000200976074 347863303 /nfs/dbraw/zinc/86/33/03/347863303.db2.gz XCRBGBZFRMDSPI-BDAKNGLRSA-N 1 2 203.282 0.953 20 0 BCADLO CC[C@@H]([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000200976109 347863436 /nfs/dbraw/zinc/86/34/36/347863436.db2.gz XCRBGBZFRMDSPI-DTWKUNHWSA-N 1 2 203.282 0.953 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn[nH]c1 ZINC000593689502 347927574 /nfs/dbraw/zinc/92/75/74/347927574.db2.gz VDZRSRYOMVPZSR-UINNMSKDSA-N 1 2 211.290 0.115 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn[nH]c1 ZINC000593689502 347927579 /nfs/dbraw/zinc/92/75/79/347927579.db2.gz VDZRSRYOMVPZSR-UINNMSKDSA-N 1 2 211.290 0.115 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593692491 347928416 /nfs/dbraw/zinc/92/84/16/347928416.db2.gz APGQXJCEECIUAD-MMPTUQATSA-N 1 2 237.328 0.689 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593692491 347928417 /nfs/dbraw/zinc/92/84/17/347928417.db2.gz APGQXJCEECIUAD-MMPTUQATSA-N 1 2 237.328 0.689 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593689878 347928512 /nfs/dbraw/zinc/92/85/12/347928512.db2.gz YFZGZYIDJFPPBT-MMPTUQATSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593689878 347928515 /nfs/dbraw/zinc/92/85/15/347928515.db2.gz YFZGZYIDJFPPBT-MMPTUQATSA-N 1 2 239.344 0.608 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000593678470 347931994 /nfs/dbraw/zinc/93/19/94/347931994.db2.gz MNLNCEIQKWINPS-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000593678470 347931997 /nfs/dbraw/zinc/93/19/97/347931997.db2.gz MNLNCEIQKWINPS-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000401798583 347910028 /nfs/dbraw/zinc/91/00/28/347910028.db2.gz KZIKIAJLHXCYIA-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCN(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000577413310 365949486 /nfs/dbraw/zinc/94/94/86/365949486.db2.gz YQBRWJNRYWEGOH-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO CCCN(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000577413310 365949494 /nfs/dbraw/zinc/94/94/94/365949494.db2.gz YQBRWJNRYWEGOH-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000577443362 365952827 /nfs/dbraw/zinc/95/28/27/365952827.db2.gz VQJWOAMBFYSPGL-SNVBAGLBSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ncccc1O ZINC000577443362 365952829 /nfs/dbraw/zinc/95/28/29/365952829.db2.gz VQJWOAMBFYSPGL-SNVBAGLBSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H](C)O)C1CC1 ZINC000308550474 323175323 /nfs/dbraw/zinc/17/53/23/323175323.db2.gz XIBCRGDIVREDKE-GMSGAONNSA-N 1 2 201.266 0.299 20 0 BCADLO CC[C@H](C[NH2+][C@](CC)(COC)C(=O)OC)OC ZINC000419278197 192111715 /nfs/dbraw/zinc/11/17/15/192111715.db2.gz HQUFPQRIBYKJNP-ZYHUDNBSSA-N 1 2 247.335 0.969 20 0 BCADLO CS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000070227452 323175616 /nfs/dbraw/zinc/17/56/16/323175616.db2.gz SWJTYENBODVEKB-UHFFFAOYSA-N 1 2 217.294 0.213 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)NC(N)=O ZINC000594710946 348104312 /nfs/dbraw/zinc/10/43/12/348104312.db2.gz JZOQZTZQFXCDAS-PHDIDXHHSA-N 1 2 242.304 0.377 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000594927072 348138420 /nfs/dbraw/zinc/13/84/20/348138420.db2.gz UBTYTJABWVAGHX-FKTZTGRPSA-N 1 2 223.276 0.697 20 0 BCADLO CSCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594918282 348153271 /nfs/dbraw/zinc/15/32/71/348153271.db2.gz NDVSTNXEJQHVJQ-UHFFFAOYSA-N 1 2 229.353 0.881 20 0 BCADLO COC[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)OC ZINC000595303356 348221352 /nfs/dbraw/zinc/22/13/52/348221352.db2.gz JNDYCIMGIUCUKP-SNVBAGLBSA-N 1 2 247.335 0.921 20 0 BCADLO COC[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)OC ZINC000595303356 348221354 /nfs/dbraw/zinc/22/13/54/348221354.db2.gz JNDYCIMGIUCUKP-SNVBAGLBSA-N 1 2 247.335 0.921 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000595305681 348222646 /nfs/dbraw/zinc/22/26/46/348222646.db2.gz IWSGDTHSZCBWIU-VHSXEESVSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cccnc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295087362 179373841 /nfs/dbraw/zinc/37/38/41/179373841.db2.gz STGKQFGRTBOCKB-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295087362 179373843 /nfs/dbraw/zinc/37/38/43/179373843.db2.gz STGKQFGRTBOCKB-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@@H+](C)CC(=O)N(C)C ZINC000093158510 179370168 /nfs/dbraw/zinc/37/01/68/179370168.db2.gz BLYBNKBNFJEBBW-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1cccnc1C[N@H+](C)CC(=O)N(C)C ZINC000093158510 179370170 /nfs/dbraw/zinc/37/01/70/179370170.db2.gz BLYBNKBNFJEBBW-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cn(C)c[nH+]1 ZINC000595323578 348226717 /nfs/dbraw/zinc/22/67/17/348226717.db2.gz ZKSJANPVKYOFHK-KCWFYHRYSA-N 1 2 241.360 0.761 20 0 BCADLO COC(=O)C[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000595287892 348212342 /nfs/dbraw/zinc/21/23/42/348212342.db2.gz OTXIJMPEQLQTAF-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)C[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000595287892 348212343 /nfs/dbraw/zinc/21/23/43/348212343.db2.gz OTXIJMPEQLQTAF-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595406463 348240053 /nfs/dbraw/zinc/24/00/53/348240053.db2.gz JMPKCPPALLVXNW-MWLCHTKSSA-N 1 2 233.308 0.579 20 0 BCADLO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000595427142 348247651 /nfs/dbraw/zinc/24/76/51/348247651.db2.gz RHPRYKAIIQYOPU-BCTVWOGZSA-N 1 2 246.332 0.882 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000595427142 348247652 /nfs/dbraw/zinc/24/76/52/348247652.db2.gz RHPRYKAIIQYOPU-BCTVWOGZSA-N 1 2 246.332 0.882 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@H]1CC1(F)F ZINC000595476855 348252268 /nfs/dbraw/zinc/25/22/68/348252268.db2.gz TYNAASKMVBXQQY-YUMQZZPRSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000595476855 348252272 /nfs/dbraw/zinc/25/22/72/348252272.db2.gz TYNAASKMVBXQQY-YUMQZZPRSA-N 1 2 237.246 0.904 20 0 BCADLO COC[C@H](C[N@@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000595452034 348253508 /nfs/dbraw/zinc/25/35/08/348253508.db2.gz GQXUXZOERQQNJA-MGPLVRAMSA-N 1 2 249.376 0.491 20 0 BCADLO COC[C@H](C[N@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000595452034 348253512 /nfs/dbraw/zinc/25/35/12/348253512.db2.gz GQXUXZOERQQNJA-MGPLVRAMSA-N 1 2 249.376 0.491 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1cn(C)c[nH+]1 ZINC000595466037 348257748 /nfs/dbraw/zinc/25/77/48/348257748.db2.gz QEUCMRHRBJIXAV-MRVPVSSYSA-N 1 2 211.265 0.413 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000180466458 179376495 /nfs/dbraw/zinc/37/64/95/179376495.db2.gz IPTRKKMTLUFTMH-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000180466458 179376497 /nfs/dbraw/zinc/37/64/97/179376497.db2.gz IPTRKKMTLUFTMH-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO CC[C@@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526272 348271335 /nfs/dbraw/zinc/27/13/35/348271335.db2.gz JBHJTRTVLCRWHW-SCZZXKLOSA-N 1 2 203.282 0.546 20 0 BCADLO CC[C@@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595526271 348271533 /nfs/dbraw/zinc/27/15/33/348271533.db2.gz JBHJTRTVLCRWHW-PSASIEDQSA-N 1 2 203.282 0.546 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)(C)C ZINC000595528070 348272095 /nfs/dbraw/zinc/27/20/95/348272095.db2.gz UMQWBMJZFXROJJ-LLVKDONJSA-N 1 2 217.309 0.936 20 0 BCADLO COCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000041287635 348272569 /nfs/dbraw/zinc/27/25/69/348272569.db2.gz SUVMGWAHWHBWKP-UHFFFAOYSA-N 1 2 247.298 0.948 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)(C)OC ZINC000595530932 348273281 /nfs/dbraw/zinc/27/32/81/348273281.db2.gz BJXVTDPNTYOKDP-NSHDSACASA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCCF ZINC000595531751 348273742 /nfs/dbraw/zinc/27/37/42/348273742.db2.gz KNQQUDKMLCSOBP-VIFPVBQESA-N 1 2 207.245 0.250 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](O)CCC(C)C ZINC000595531981 348274019 /nfs/dbraw/zinc/27/40/19/348274019.db2.gz NOOXXRVNIXOIMT-ZYHUDNBSSA-N 1 2 247.335 0.297 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1(C)CCC1 ZINC000595532863 348274636 /nfs/dbraw/zinc/27/46/36/348274636.db2.gz VECHGVMUANFXSZ-LLVKDONJSA-N 1 2 215.293 0.690 20 0 BCADLO CCC(CC)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595533840 348275351 /nfs/dbraw/zinc/27/53/51/348275351.db2.gz OPDVCPFPZTXODI-LLVKDONJSA-N 1 2 217.309 0.936 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595590665 348277387 /nfs/dbraw/zinc/27/73/87/348277387.db2.gz ALLFFUFECJAPMB-GFCCVEGCSA-N 1 2 237.299 0.695 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595590665 348277389 /nfs/dbraw/zinc/27/73/89/348277389.db2.gz ALLFFUFECJAPMB-GFCCVEGCSA-N 1 2 237.299 0.695 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000595565044 348283307 /nfs/dbraw/zinc/28/33/07/348283307.db2.gz YQWSFIDPNZRJRT-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000595657959 348298148 /nfs/dbraw/zinc/29/81/48/348298148.db2.gz ATIVCBHYHZHJTG-VHSXEESVSA-N 1 2 240.259 0.403 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nccs1 ZINC000595662660 348300690 /nfs/dbraw/zinc/30/06/90/348300690.db2.gz AMIPRIKFJMSLBF-IONNQARKSA-N 1 2 242.300 0.563 20 0 BCADLO CCC[C@H](O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419326409 192122192 /nfs/dbraw/zinc/12/21/92/192122192.db2.gz CCCHSKKBONMTTE-AVGNSLFASA-N 1 2 244.379 0.534 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2C[C@H]1COCCO1 ZINC000595679677 348311201 /nfs/dbraw/zinc/31/12/01/348311201.db2.gz HGMGTOGTTFNPAR-YZRBJQDESA-N 1 2 241.287 0.039 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2C[C@H]1COCCO1 ZINC000595679677 348311204 /nfs/dbraw/zinc/31/12/04/348311204.db2.gz HGMGTOGTTFNPAR-YZRBJQDESA-N 1 2 241.287 0.039 20 0 BCADLO COC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595682872 348312108 /nfs/dbraw/zinc/31/21/08/348312108.db2.gz TYDDCDAIIWGYGJ-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595682872 348312110 /nfs/dbraw/zinc/31/21/10/348312110.db2.gz TYDDCDAIIWGYGJ-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680040 348325652 /nfs/dbraw/zinc/32/56/52/348325652.db2.gz NVMGJUTXHUUJRG-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680040 348325655 /nfs/dbraw/zinc/32/56/55/348325655.db2.gz NVMGJUTXHUUJRG-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCO ZINC000595768792 348335798 /nfs/dbraw/zinc/33/57/98/348335798.db2.gz GANJNTKAJCZCDB-SECBINFHSA-N 1 2 207.245 0.250 20 0 BCADLO CCOC(=O)CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595773802 348337468 /nfs/dbraw/zinc/33/74/68/348337468.db2.gz FINJZSNYZLBEON-NSHDSACASA-N 1 2 249.282 0.821 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@@H](C)O ZINC000595776038 348338611 /nfs/dbraw/zinc/33/86/11/348338611.db2.gz PZUHNXVDNLIORV-PSASIEDQSA-N 1 2 221.272 0.638 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCc1c[nH+]cn1C ZINC000595777083 348338899 /nfs/dbraw/zinc/33/88/99/348338899.db2.gz UDYKLCJFOJAGGP-LLVKDONJSA-N 1 2 243.282 0.801 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595782614 348344907 /nfs/dbraw/zinc/34/49/07/348344907.db2.gz PJCMQSXPTCCVBB-XHNCKOQMSA-N 1 2 213.277 0.441 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000595785699 348345604 /nfs/dbraw/zinc/34/56/04/348345604.db2.gz YFOGHECMPVRTPZ-OUAUKWLOSA-N 1 2 239.315 0.831 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2nccnc2C1 ZINC000595864758 348384441 /nfs/dbraw/zinc/38/44/41/348384441.db2.gz SEFBQFVDYYNZOY-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2nccnc2C1 ZINC000595864758 348384444 /nfs/dbraw/zinc/38/44/44/348384444.db2.gz SEFBQFVDYYNZOY-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)o2)C1 ZINC000595852577 348356601 /nfs/dbraw/zinc/35/66/01/348356601.db2.gz NQMMJWSHZQFZIP-DTORHVGOSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)o2)C1 ZINC000595852577 348356604 /nfs/dbraw/zinc/35/66/04/348356604.db2.gz NQMMJWSHZQFZIP-DTORHVGOSA-N 1 2 239.275 0.761 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000309098972 349985684 /nfs/dbraw/zinc/98/56/84/349985684.db2.gz DXPWKKWDBQCOMM-CBAPKCEASA-N 1 2 208.265 0.024 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)C ZINC000623496093 362919902 /nfs/dbraw/zinc/91/99/02/362919902.db2.gz HFYBNIFZIDXNNU-JTQLQIEISA-N 1 2 243.351 0.662 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)C ZINC000623496093 362919905 /nfs/dbraw/zinc/91/99/05/362919905.db2.gz HFYBNIFZIDXNNU-JTQLQIEISA-N 1 2 243.351 0.662 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)CO)c1 ZINC000596072158 348437874 /nfs/dbraw/zinc/43/78/74/348437874.db2.gz XWRFNNUJZWEIEX-QMMMGPOBSA-N 1 2 224.260 0.590 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)CCO)c1 ZINC000596134773 348447767 /nfs/dbraw/zinc/44/77/67/348447767.db2.gz PVKIEZHVUSZSEL-VIFPVBQESA-N 1 2 238.287 0.980 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C[C@@H](O)C2)c1 ZINC000596261769 348478868 /nfs/dbraw/zinc/47/88/68/348478868.db2.gz IYVGORBVPNNTTD-AOOOYVTPSA-N 1 2 236.271 0.732 20 0 BCADLO CC[C@H](C(=O)Nc1cc[nH+]cc1O)[C@H](C)O ZINC000419862879 192147243 /nfs/dbraw/zinc/14/72/43/192147243.db2.gz BYGPEACPAZUSMV-YUMQZZPRSA-N 1 2 224.260 0.555 20 0 BCADLO CSCCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000308785425 348590140 /nfs/dbraw/zinc/59/01/40/348590140.db2.gz AUDZIZMXJKONSP-UHFFFAOYSA-N 1 2 227.337 0.952 20 0 BCADLO CSCCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000308785425 348590143 /nfs/dbraw/zinc/59/01/43/348590143.db2.gz AUDZIZMXJKONSP-UHFFFAOYSA-N 1 2 227.337 0.952 20 0 BCADLO CSCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596661473 348601146 /nfs/dbraw/zinc/60/11/46/348601146.db2.gz JPOGCYHJYMACTC-MRVPVSSYSA-N 1 2 239.344 0.994 20 0 BCADLO CSCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596661473 348601149 /nfs/dbraw/zinc/60/11/49/348601149.db2.gz JPOGCYHJYMACTC-MRVPVSSYSA-N 1 2 239.344 0.994 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)CO1 ZINC000597115098 348662279 /nfs/dbraw/zinc/66/22/79/348662279.db2.gz LWBWDOISQWXDHT-DJLDLDEBSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)CO1 ZINC000597117274 348663046 /nfs/dbraw/zinc/66/30/46/348663046.db2.gz LWBWDOISQWXDHT-IWSPIJDZSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)o1 ZINC000193609680 179611141 /nfs/dbraw/zinc/61/11/41/179611141.db2.gz JWTWHGYXPRCJIX-OIBJUYFYSA-N 1 2 223.276 0.597 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000597217873 348690162 /nfs/dbraw/zinc/69/01/62/348690162.db2.gz IHUDFUIAQXHVJD-WAAGHKOSSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000053909432 348763549 /nfs/dbraw/zinc/76/35/49/348763549.db2.gz NCXOWWJTOXLWCO-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](O)C1 ZINC000181263120 179707666 /nfs/dbraw/zinc/70/76/66/179707666.db2.gz LJOMHWNOKASSIQ-SECBINFHSA-N 1 2 221.260 0.989 20 0 BCADLO C[C@]1(F)CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000563895700 323201383 /nfs/dbraw/zinc/20/13/83/323201383.db2.gz XOWSTPAPBXVKOE-XCBNKYQSSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@]1(F)CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000563895700 323201384 /nfs/dbraw/zinc/20/13/84/323201384.db2.gz XOWSTPAPBXVKOE-XCBNKYQSSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC2 ZINC000421762967 192379972 /nfs/dbraw/zinc/37/99/72/192379972.db2.gz OXUNELSRXVZLNI-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC2 ZINC000421762967 192379973 /nfs/dbraw/zinc/37/99/73/192379973.db2.gz OXUNELSRXVZLNI-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC12CC2 ZINC000421760741 192380493 /nfs/dbraw/zinc/38/04/93/192380493.db2.gz HEHZLHGGOUYFJW-LLVKDONJSA-N 1 2 238.331 0.577 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000598674644 349019676 /nfs/dbraw/zinc/01/96/76/349019676.db2.gz RQRVKCRZPIWXMY-PUTJDCORSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000598674644 349019677 /nfs/dbraw/zinc/01/96/77/349019677.db2.gz RQRVKCRZPIWXMY-PUTJDCORSA-N 1 2 237.328 0.490 20 0 BCADLO COC(=O)CCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000598744574 349036700 /nfs/dbraw/zinc/03/67/00/349036700.db2.gz FWZFKLWAKPVQKZ-UHFFFAOYSA-N 1 2 239.275 0.711 20 0 BCADLO COC(=O)CCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000598744574 349036701 /nfs/dbraw/zinc/03/67/01/349036701.db2.gz FWZFKLWAKPVQKZ-UHFFFAOYSA-N 1 2 239.275 0.711 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000598984554 349071277 /nfs/dbraw/zinc/07/12/77/349071277.db2.gz OUXGEQFFONTAOQ-FTLITQJKSA-N 1 2 224.264 0.092 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000598984554 349071282 /nfs/dbraw/zinc/07/12/82/349071282.db2.gz OUXGEQFFONTAOQ-FTLITQJKSA-N 1 2 224.264 0.092 20 0 BCADLO CSC[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943809 349062843 /nfs/dbraw/zinc/06/28/43/349062843.db2.gz HXJXPRUIWNNBGF-IUCAKERBSA-N 1 2 239.344 0.923 20 0 BCADLO CC(C)(C)[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000383583488 349067938 /nfs/dbraw/zinc/06/79/38/349067938.db2.gz MLUHAGJMORLUDC-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO CCOC(=O)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000599338445 349150870 /nfs/dbraw/zinc/15/08/70/349150870.db2.gz RSCKVMWPSRVLGO-VIFPVBQESA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000599338445 349150874 /nfs/dbraw/zinc/15/08/74/349150874.db2.gz RSCKVMWPSRVLGO-VIFPVBQESA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000599338445 349150878 /nfs/dbraw/zinc/15/08/78/349150878.db2.gz RSCKVMWPSRVLGO-VIFPVBQESA-N 1 2 241.291 0.156 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1C[C@H]1C)C(=O)OC ZINC000599342729 349152851 /nfs/dbraw/zinc/15/28/51/349152851.db2.gz UEPXQYHNRZPOBR-KKZNHRDASA-N 1 2 215.293 0.810 20 0 BCADLO CC[C@@H](C(=O)OC)N1CCc2[nH+]c[nH]c2C1 ZINC000599423135 349183319 /nfs/dbraw/zinc/18/33/19/349183319.db2.gz UKAPUVXKQLGAOE-JTQLQIEISA-N 1 2 223.276 0.719 20 0 BCADLO COC(=O)[C@@H](C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599423376 349184271 /nfs/dbraw/zinc/18/42/71/349184271.db2.gz VUBIDWZUAPWTPY-LLVKDONJSA-N 1 2 235.287 0.719 20 0 BCADLO COC(=O)[C@H](C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599423377 349184398 /nfs/dbraw/zinc/18/43/98/349184398.db2.gz VUBIDWZUAPWTPY-NSHDSACASA-N 1 2 235.287 0.719 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC1CCOCC1 ZINC000599390125 349168616 /nfs/dbraw/zinc/16/86/16/349168616.db2.gz FNBZHYOBISAGCA-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC1CCOCC1 ZINC000599390125 349168617 /nfs/dbraw/zinc/16/86/17/349168617.db2.gz FNBZHYOBISAGCA-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCOCC12CC2 ZINC000599402777 349172918 /nfs/dbraw/zinc/17/29/18/349172918.db2.gz FTIHAGUHAHDUMS-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCOCC12CC2 ZINC000599402777 349172922 /nfs/dbraw/zinc/17/29/22/349172922.db2.gz FTIHAGUHAHDUMS-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO COC(=O)c1cnc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000599434022 349174316 /nfs/dbraw/zinc/17/43/16/349174316.db2.gz PBPULOGNJIQGKX-MRVPVSSYSA-N 1 2 239.250 0.807 20 0 BCADLO COC(=O)c1cnc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000599434022 349174319 /nfs/dbraw/zinc/17/43/19/349174319.db2.gz PBPULOGNJIQGKX-MRVPVSSYSA-N 1 2 239.250 0.807 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626226 349231363 /nfs/dbraw/zinc/23/13/63/349231363.db2.gz PSOJOCYIHFBVOB-KBIXCLLPSA-N 1 2 215.293 0.951 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](C)O1 ZINC000599604709 349232603 /nfs/dbraw/zinc/23/26/03/349232603.db2.gz MNLNCEIQKWINPS-SCZZXKLOSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](C)O1 ZINC000599604709 349232605 /nfs/dbraw/zinc/23/26/05/349232605.db2.gz MNLNCEIQKWINPS-SCZZXKLOSA-N 1 2 239.275 0.172 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(N)=O)s1 ZINC000047259439 490248975 /nfs/dbraw/zinc/24/89/75/490248975.db2.gz MGIVMAYRBKTFGP-ZCFIWIBFSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H](C)C(N)=O)s1 ZINC000047259439 490248985 /nfs/dbraw/zinc/24/89/85/490248985.db2.gz MGIVMAYRBKTFGP-ZCFIWIBFSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000628313717 349261315 /nfs/dbraw/zinc/26/13/15/349261315.db2.gz YBVWBAHHMMALOR-SKDRFNHKSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000628313717 349261318 /nfs/dbraw/zinc/26/13/18/349261318.db2.gz YBVWBAHHMMALOR-SKDRFNHKSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](C)CCO)c[nH+]1 ZINC000270158838 179884047 /nfs/dbraw/zinc/88/40/47/179884047.db2.gz YHOZZVQSLLRFJQ-ZETCQYMHSA-N 1 2 211.265 0.466 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cccnc1 ZINC000070981708 490252706 /nfs/dbraw/zinc/25/27/06/490252706.db2.gz CSSIHIWMRHVBLO-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccnc1 ZINC000070981708 490252713 /nfs/dbraw/zinc/25/27/13/490252713.db2.gz CSSIHIWMRHVBLO-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO Cn1cnnc1C[NH+]1CCC(CCO)CC1 ZINC000309060214 323221278 /nfs/dbraw/zinc/22/12/78/323221278.db2.gz YVLNVSQTWRCQCW-UHFFFAOYSA-N 1 2 224.308 0.410 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(C)n1C ZINC000061710976 349392564 /nfs/dbraw/zinc/39/25/64/349392564.db2.gz XSKHEUUIGFZOFG-LLVKDONJSA-N 1 2 236.315 0.891 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)C2)c(C)n1C ZINC000061710976 349392568 /nfs/dbraw/zinc/39/25/68/349392568.db2.gz XSKHEUUIGFZOFG-LLVKDONJSA-N 1 2 236.315 0.891 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC000603782486 350031992 /nfs/dbraw/zinc/03/19/92/350031992.db2.gz JJOQLDHWKQYCAE-SECBINFHSA-N 1 2 221.260 0.408 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC000603782486 350031994 /nfs/dbraw/zinc/03/19/94/350031994.db2.gz JJOQLDHWKQYCAE-SECBINFHSA-N 1 2 221.260 0.408 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977633 349413455 /nfs/dbraw/zinc/41/34/55/349413455.db2.gz VTUXOBBTUVZHQW-YUMQZZPRSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977633 349413458 /nfs/dbraw/zinc/41/34/58/349413458.db2.gz VTUXOBBTUVZHQW-YUMQZZPRSA-N 1 2 237.246 0.904 20 0 BCADLO CSCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602031989 349421241 /nfs/dbraw/zinc/42/12/41/349421241.db2.gz BRSRQHOZVLDXOH-HTQZYQBOSA-N 1 2 225.317 0.992 20 0 BCADLO CSCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602031989 349421243 /nfs/dbraw/zinc/42/12/43/349421243.db2.gz BRSRQHOZVLDXOH-HTQZYQBOSA-N 1 2 225.317 0.992 20 0 BCADLO CC(=O)N(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883253 350047681 /nfs/dbraw/zinc/04/76/81/350047681.db2.gz BQMPYLPSZCDFCW-UHFFFAOYSA-N 1 2 246.270 0.751 20 0 BCADLO CCOC(=O)Cc1cc(=O)n(CC[NH+](C)C)[nH]1 ZINC000603921268 350053717 /nfs/dbraw/zinc/05/37/17/350053717.db2.gz OFZBTPQOUUHJGS-UHFFFAOYSA-N 1 2 241.291 0.090 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291544797 350067032 /nfs/dbraw/zinc/06/70/32/350067032.db2.gz YCKFZGIFNHRATI-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO O=C(NC1CC=CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636928164 350071686 /nfs/dbraw/zinc/07/16/86/350071686.db2.gz SNXADKAOAXHPRE-SNVBAGLBSA-N 1 2 232.287 0.826 20 0 BCADLO O[C@@H](COC[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000302957888 350101449 /nfs/dbraw/zinc/10/14/49/350101449.db2.gz CHVZQBJGGTYWFL-MNOVXSKESA-N 1 2 226.276 0.440 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccoc1C ZINC000621250861 350104545 /nfs/dbraw/zinc/10/45/45/350104545.db2.gz VGDNPMQYYJJAKA-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccoc1C ZINC000621250861 350104548 /nfs/dbraw/zinc/10/45/48/350104548.db2.gz VGDNPMQYYJJAKA-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000342587695 538050216 /nfs/dbraw/zinc/05/02/16/538050216.db2.gz JWESQGGUOBPBEU-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000342587695 538050223 /nfs/dbraw/zinc/05/02/23/538050223.db2.gz JWESQGGUOBPBEU-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C[C@@H]2CO)[nH+]1 ZINC000354883934 180003936 /nfs/dbraw/zinc/00/39/36/180003936.db2.gz KOSFOUBSIISUEZ-BDAKNGLRSA-N 1 2 248.286 0.198 20 0 BCADLO Cc1nc(NC(=O)C[NH+]2CCC(C)CC2)n[nH]1 ZINC000136235263 180006677 /nfs/dbraw/zinc/00/66/77/180006677.db2.gz OCMOYMNRQKXBGC-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2CCC(C)CC2)[nH]1 ZINC000136235263 180006679 /nfs/dbraw/zinc/00/66/79/180006679.db2.gz OCMOYMNRQKXBGC-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000364450480 180010378 /nfs/dbraw/zinc/01/03/78/180010378.db2.gz XRMAQEBDJZXMAC-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC000265000974 180012306 /nfs/dbraw/zinc/01/23/06/180012306.db2.gz WAPVYFXFMSGNGL-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000265000974 180012307 /nfs/dbraw/zinc/01/23/07/180012307.db2.gz WAPVYFXFMSGNGL-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC000265000974 180012309 /nfs/dbraw/zinc/01/23/09/180012309.db2.gz WAPVYFXFMSGNGL-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC000265000974 180012312 /nfs/dbraw/zinc/01/23/12/180012312.db2.gz WAPVYFXFMSGNGL-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nc(N(C)C)nc(NC(C)(C)CO)[nH+]1 ZINC000309528441 180016179 /nfs/dbraw/zinc/01/61/79/180016179.db2.gz CZDCHBXTQYRLHU-UHFFFAOYSA-N 1 2 225.296 0.429 20 0 BCADLO Cc1nc(NC(C)(C)CO)nc(N(C)C)[nH+]1 ZINC000309528441 180016181 /nfs/dbraw/zinc/01/61/81/180016181.db2.gz CZDCHBXTQYRLHU-UHFFFAOYSA-N 1 2 225.296 0.429 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C[C@H]1O ZINC000395848761 323244815 /nfs/dbraw/zinc/24/48/15/323244815.db2.gz LRHMVSKZKGPYME-IVZWLZJFSA-N 1 2 245.319 0.408 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C[C@H]1O ZINC000395848761 323244819 /nfs/dbraw/zinc/24/48/19/323244819.db2.gz LRHMVSKZKGPYME-IVZWLZJFSA-N 1 2 245.319 0.408 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791055 350116330 /nfs/dbraw/zinc/11/63/30/350116330.db2.gz NKKLEEPSSNMSTF-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791055 350116333 /nfs/dbraw/zinc/11/63/33/350116333.db2.gz NKKLEEPSSNMSTF-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nnnn1C ZINC000532340723 323252931 /nfs/dbraw/zinc/25/29/31/323252931.db2.gz ODOWGTIKCYVEGT-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nnnn1C ZINC000532340723 323252936 /nfs/dbraw/zinc/25/29/36/323252936.db2.gz ODOWGTIKCYVEGT-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO Cc1nnc([C@@H]2C[N@@H+]([C@@H]3CCOC3)CCO2)[nH]1 ZINC000328616877 180045105 /nfs/dbraw/zinc/04/51/05/180045105.db2.gz SWBDAYDDLVCOAH-ZJUUUORDSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nnc([C@@H]2C[N@H+]([C@@H]3CCOC3)CCO2)[nH]1 ZINC000328616877 180045108 /nfs/dbraw/zinc/04/51/08/180045108.db2.gz SWBDAYDDLVCOAH-ZJUUUORDSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nnc([C@@H]2C[N@@H+]([C@H]3CCOC3)CCO2)[nH]1 ZINC000328616775 180045956 /nfs/dbraw/zinc/04/59/56/180045956.db2.gz SWBDAYDDLVCOAH-UWVGGRQHSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nnc([C@@H]2C[N@H+]([C@H]3CCOC3)CCO2)[nH]1 ZINC000328616775 180045958 /nfs/dbraw/zinc/04/59/58/180045958.db2.gz SWBDAYDDLVCOAH-UWVGGRQHSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000375755907 180054627 /nfs/dbraw/zinc/05/46/27/180054627.db2.gz GQRABMUJRZAKEU-CBAPKCEASA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000375755907 180054629 /nfs/dbraw/zinc/05/46/29/180054629.db2.gz GQRABMUJRZAKEU-CBAPKCEASA-N 1 2 238.291 0.431 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000132506767 191033063 /nfs/dbraw/zinc/03/30/63/191033063.db2.gz IXYCGDPWWNUKAG-CIUDSAMLSA-N 1 2 228.292 0.182 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](C[C@](C)(O)C(C)C)C2 ZINC000364344739 180112404 /nfs/dbraw/zinc/11/24/04/180112404.db2.gz AWBVRHOLPSKYKX-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](C[C@](C)(O)C(C)C)C2 ZINC000364344739 180112406 /nfs/dbraw/zinc/11/24/06/180112406.db2.gz AWBVRHOLPSKYKX-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cccnc1)C2 ZINC000267063725 180112811 /nfs/dbraw/zinc/11/28/11/180112811.db2.gz MXNNQNQXFUYCBZ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cccnc1)C2 ZINC000267063725 180112812 /nfs/dbraw/zinc/11/28/12/180112812.db2.gz MXNNQNQXFUYCBZ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000340226385 180140171 /nfs/dbraw/zinc/14/01/71/180140171.db2.gz RCRJIGIVNBJTNW-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000340226385 180140173 /nfs/dbraw/zinc/14/01/73/180140173.db2.gz RCRJIGIVNBJTNW-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000336452864 180118627 /nfs/dbraw/zinc/11/86/27/180118627.db2.gz ZTWOICLQDGVKLH-CBAPKCEASA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc[nH]c1 ZINC000336584153 180119861 /nfs/dbraw/zinc/11/98/61/180119861.db2.gz ISPUZZZTLOSKGI-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)COC1 ZINC000335346449 180120015 /nfs/dbraw/zinc/12/00/15/180120015.db2.gz PRTINWRHDBUKRK-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCO[C@H]1C ZINC000335946598 180120395 /nfs/dbraw/zinc/12/03/95/180120395.db2.gz HGUAQWAOWNMVSS-IUCAKERBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CO ZINC000339348991 180120568 /nfs/dbraw/zinc/12/05/68/180120568.db2.gz MPTAZQPPJYBJTQ-SECBINFHSA-N 1 2 223.276 0.244 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn[nH]c1 ZINC000336500499 180121216 /nfs/dbraw/zinc/12/12/16/180121216.db2.gz PVVWGIARGUKOJS-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1ncc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000360817875 180168685 /nfs/dbraw/zinc/16/86/85/180168685.db2.gz NNQCGJCINXZFFL-MRVPVSSYSA-N 1 2 242.229 0.721 20 0 BCADLO Cc1ncc(NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000266802454 180170525 /nfs/dbraw/zinc/17/05/25/180170525.db2.gz FSVQAYWASWBCMM-SNVBAGLBSA-N 1 2 236.275 0.054 20 0 BCADLO Cc1ncc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000266802454 180170528 /nfs/dbraw/zinc/17/05/28/180170528.db2.gz FSVQAYWASWBCMM-SNVBAGLBSA-N 1 2 236.275 0.054 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338371735 180145647 /nfs/dbraw/zinc/14/56/47/180145647.db2.gz OGKUIBAADFJNKT-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338371735 180145650 /nfs/dbraw/zinc/14/56/50/180145650.db2.gz OGKUIBAADFJNKT-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO O=C(N[C@@H]1C[C@H]1C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637115563 350203830 /nfs/dbraw/zinc/20/38/30/350203830.db2.gz TYTFQYKEZZDSJO-ZMLRMANQSA-N 1 2 246.314 0.906 20 0 BCADLO Cc1nc(NCC(=O)NC(C)C)cc[nH+]1 ZINC000054935879 180199339 /nfs/dbraw/zinc/19/93/39/180199339.db2.gz WUZVDSSPGUAMDE-UHFFFAOYSA-N 1 2 208.265 0.722 20 0 BCADLO Cc1nc(NCC2(C)OCCO2)cc[nH+]1 ZINC000179468880 180199453 /nfs/dbraw/zinc/19/94/53/180199453.db2.gz YUGBFPVMRVPYLH-UHFFFAOYSA-N 1 2 209.249 0.960 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@@H](C(N)=O)O2)cc[nH+]1 ZINC000162921159 180201600 /nfs/dbraw/zinc/20/16/00/180201600.db2.gz LHZFVKOYMPRRKM-IUCAKERBSA-N 1 2 236.275 0.230 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccn(C)c1 ZINC000428467851 191078607 /nfs/dbraw/zinc/07/86/07/191078607.db2.gz BJEQYVPZSBKDPH-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccn(C)c1 ZINC000428467851 191078610 /nfs/dbraw/zinc/07/86/10/191078610.db2.gz BJEQYVPZSBKDPH-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO Cc1nc(N[C@@H](C)C(=O)NCCF)cc[nH+]1 ZINC000283601373 180202990 /nfs/dbraw/zinc/20/29/90/180202990.db2.gz SXFOGHKFNCKXPR-ZETCQYMHSA-N 1 2 226.255 0.671 20 0 BCADLO Cc1nc(N[C@@H](C)C[S@](C)=O)cc[nH+]1 ZINC000164219892 180203638 /nfs/dbraw/zinc/20/36/38/180203638.db2.gz PONANIOHRVSNOC-JKYUHCHBSA-N 1 2 213.306 0.964 20 0 BCADLO Cc1nc(N[C@H](C)CS(C)(=O)=O)cc[nH+]1 ZINC000077900047 180205551 /nfs/dbraw/zinc/20/55/51/180205551.db2.gz GKYRJRPHWHVJNK-SSDOTTSWSA-N 1 2 229.305 0.630 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)n1 ZINC000366490269 180186730 /nfs/dbraw/zinc/18/67/30/180186730.db2.gz QQBAUWLXTLJTET-ZYHUDNBSSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)n1 ZINC000366490269 180186731 /nfs/dbraw/zinc/18/67/31/180186731.db2.gz QQBAUWLXTLJTET-ZYHUDNBSSA-N 1 2 247.298 0.922 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000604999135 350235376 /nfs/dbraw/zinc/23/53/76/350235376.db2.gz ONYKEWGWUAMRHH-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cnnc1C[N@H+]1CCCOC(C)(C)C1 ZINC000604999135 350235377 /nfs/dbraw/zinc/23/53/77/350235377.db2.gz ONYKEWGWUAMRHH-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Nc1cnn(C)c1 ZINC000637188196 350246627 /nfs/dbraw/zinc/24/66/27/350246627.db2.gz YLUVHJGYIBEFNN-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO Cc1ncncc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290912647 180293103 /nfs/dbraw/zinc/29/31/03/180293103.db2.gz JEEAKDWVVYMSAB-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO O=C(CCCn1cccn1)NCCn1cc[nH+]c1 ZINC000050292195 350319537 /nfs/dbraw/zinc/31/95/37/350319537.db2.gz JRJRZRNYOKDLQK-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO CNC(=O)CC[NH2+]Cc1n[nH]c2ccccc12 ZINC000606469651 350340946 /nfs/dbraw/zinc/34/09/46/350340946.db2.gz VOSWOZIFZZDKMB-UHFFFAOYSA-N 1 2 232.287 0.789 20 0 BCADLO Cc1ncoc1C(=O)NCCn1cc[nH+]c1 ZINC000353956305 180299170 /nfs/dbraw/zinc/29/91/70/180299170.db2.gz SKEJHCZCRGFIIF-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1CO ZINC000309373299 350362092 /nfs/dbraw/zinc/36/20/92/350362092.db2.gz PSKKZKHLTAADJA-ZJUUUORDSA-N 1 2 223.276 0.112 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)ncn1 ZINC000428378696 191101146 /nfs/dbraw/zinc/10/11/46/191101146.db2.gz AUAMAEYXCLDGBC-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)ncn1 ZINC000428378696 191101147 /nfs/dbraw/zinc/10/11/47/191101147.db2.gz AUAMAEYXCLDGBC-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO CC[N@H+](Cc1ncnn1C)[C@@H]1CCOC1 ZINC000336675212 350437470 /nfs/dbraw/zinc/43/74/70/350437470.db2.gz HLSHPGOGSLBJTI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)[C@@H]1CCOC1 ZINC000336675212 350437472 /nfs/dbraw/zinc/43/74/72/350437472.db2.gz HLSHPGOGSLBJTI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1nn(C)c(N)c1C(=O)Nc1cc[nH+]cc1C ZINC000339938765 180353041 /nfs/dbraw/zinc/35/30/41/180353041.db2.gz YGLRRPMQKPMQTH-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@@H](CO)OC(C)(C)C1 ZINC000163757082 350422059 /nfs/dbraw/zinc/42/20/59/350422059.db2.gz XWGCGMDUPPLWAT-JTQLQIEISA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)O ZINC000606670727 350424531 /nfs/dbraw/zinc/42/45/31/350424531.db2.gz XJTYHSDWYTUQRE-MRVPVSSYSA-N 1 2 240.307 0.379 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc[nH]c1 ZINC000427993829 191104924 /nfs/dbraw/zinc/10/49/24/191104924.db2.gz PSXANZLTVPZCLD-SNVBAGLBSA-N 1 2 230.271 0.956 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282675939 180372687 /nfs/dbraw/zinc/37/26/87/180372687.db2.gz HWSCYKKUVGHGDO-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282675939 180372689 /nfs/dbraw/zinc/37/26/89/180372689.db2.gz HWSCYKKUVGHGDO-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000035270401 358456850 /nfs/dbraw/zinc/45/68/50/358456850.db2.gz PNRSQQCHQHDDKN-SNVBAGLBSA-N 1 2 214.309 0.481 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)CC(=O)NC(C)C ZINC000120237802 180371520 /nfs/dbraw/zinc/37/15/20/180371520.db2.gz UUIHMUWYIYZUJJ-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)CC(=O)NC(C)C ZINC000120237802 180371524 /nfs/dbraw/zinc/37/15/24/180371524.db2.gz UUIHMUWYIYZUJJ-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](CC(N)=O)C(C)C ZINC000161653893 180371712 /nfs/dbraw/zinc/37/17/12/180371712.db2.gz HGIWRHINUHCECP-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1nn(C)cc1C[N@H+](CC(N)=O)C(C)C ZINC000161653893 180371715 /nfs/dbraw/zinc/37/17/15/180371715.db2.gz HGIWRHINUHCECP-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427989940 191104765 /nfs/dbraw/zinc/10/47/65/191104765.db2.gz BTVBLSXYYSQJDP-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CCOC1 ZINC000336686247 350442192 /nfs/dbraw/zinc/44/21/92/350442192.db2.gz KYGVQVQMDQRIFF-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CCOC1 ZINC000336686247 350442194 /nfs/dbraw/zinc/44/21/94/350442194.db2.gz KYGVQVQMDQRIFF-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1nccn1C ZINC000070007682 350489680 /nfs/dbraw/zinc/48/96/80/350489680.db2.gz HDTDDSUEBDHADB-SECBINFHSA-N 1 2 224.308 0.597 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998559 191105921 /nfs/dbraw/zinc/10/59/21/191105921.db2.gz WDPXBPGPKSGESI-SNVBAGLBSA-N 1 2 237.303 0.739 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCCO1 ZINC000637442884 350583336 /nfs/dbraw/zinc/58/33/36/350583336.db2.gz UUZIRLHGLMWBJK-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCCO1 ZINC000637442884 350583339 /nfs/dbraw/zinc/58/33/39/350583339.db2.gz UUZIRLHGLMWBJK-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@H]1C ZINC000637443188 350584146 /nfs/dbraw/zinc/58/41/46/350584146.db2.gz VRPASJZVZDYXBG-VWYCJHECSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@H]1C ZINC000637443188 350584149 /nfs/dbraw/zinc/58/41/49/350584149.db2.gz VRPASJZVZDYXBG-VWYCJHECSA-N 1 2 241.335 0.367 20 0 BCADLO CCC(C)(C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444111 350585045 /nfs/dbraw/zinc/58/50/45/350585045.db2.gz OYDBMJMIRNAHMM-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO CCC(C)(C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444111 350585047 /nfs/dbraw/zinc/58/50/47/350585047.db2.gz OYDBMJMIRNAHMM-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444538 350585852 /nfs/dbraw/zinc/58/58/52/350585852.db2.gz BJYDXZVMAFWACY-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CC[C@H](C)N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444538 350585855 /nfs/dbraw/zinc/58/58/55/350585855.db2.gz BJYDXZVMAFWACY-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1nnc([C@H](C)[N@H+](C)CCOCCO)s1 ZINC000338361330 180443668 /nfs/dbraw/zinc/44/36/68/180443668.db2.gz RJSJSHIDFKPQQF-QMMMGPOBSA-N 1 2 245.348 0.848 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+](C)CCOCCO)s1 ZINC000338361330 180443669 /nfs/dbraw/zinc/44/36/69/180443669.db2.gz RJSJSHIDFKPQQF-QMMMGPOBSA-N 1 2 245.348 0.848 20 0 BCADLO COCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900532 350627177 /nfs/dbraw/zinc/62/71/77/350627177.db2.gz OFGRSDBVLJKKBT-SSDOTTSWSA-N 1 2 213.199 0.896 20 0 BCADLO COCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900532 350627181 /nfs/dbraw/zinc/62/71/81/350627181.db2.gz OFGRSDBVLJKKBT-SSDOTTSWSA-N 1 2 213.199 0.896 20 0 BCADLO COCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900533 350627295 /nfs/dbraw/zinc/62/72/95/350627295.db2.gz OFGRSDBVLJKKBT-ZETCQYMHSA-N 1 2 213.199 0.896 20 0 BCADLO COCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900533 350627297 /nfs/dbraw/zinc/62/72/97/350627297.db2.gz OFGRSDBVLJKKBT-ZETCQYMHSA-N 1 2 213.199 0.896 20 0 BCADLO CCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000013950651 350654948 /nfs/dbraw/zinc/65/49/48/350654948.db2.gz PNYJRPODTFFCBK-UHFFFAOYSA-N 1 2 217.294 0.213 20 0 BCADLO Cc1cnn(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000617280029 350666820 /nfs/dbraw/zinc/66/68/20/350666820.db2.gz BIHFNLGZFHMKFP-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H](CO)C2CCC2)C1 ZINC000617314192 350723599 /nfs/dbraw/zinc/72/35/99/350723599.db2.gz ZINNXGMGWGIRAR-NSHDSACASA-N 1 2 240.347 0.605 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NCCCOC)CCO1 ZINC000051736471 350815180 /nfs/dbraw/zinc/81/51/80/350815180.db2.gz ZLDVAHKTKHKJOB-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NCCCOC)CCO1 ZINC000051736471 350815182 /nfs/dbraw/zinc/81/51/82/350815182.db2.gz ZLDVAHKTKHKJOB-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[N@H+](Cc1noc(CCOC)n1)[C@H](C)CO ZINC000339625833 350768370 /nfs/dbraw/zinc/76/83/70/350768370.db2.gz AXDJHQMFYXXTCJ-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@@H+](Cc1noc(CCOC)n1)[C@H](C)CO ZINC000339625833 350768374 /nfs/dbraw/zinc/76/83/74/350768374.db2.gz AXDJHQMFYXXTCJ-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)[C@@H](C)CO ZINC000339631804 350770212 /nfs/dbraw/zinc/77/02/12/350770212.db2.gz WUATVPDMIARUPY-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)[C@@H](C)CO ZINC000339631804 350770215 /nfs/dbraw/zinc/77/02/15/350770215.db2.gz WUATVPDMIARUPY-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1c(C[N@@H+](C)[C@H](C)C(N)=O)cnn1C ZINC000577596187 366010695 /nfs/dbraw/zinc/01/06/95/366010695.db2.gz SBGDEXKNBSMNEH-MRVPVSSYSA-N 1 2 210.281 0.034 20 0 BCADLO Cc1c(C[N@H+](C)[C@H](C)C(N)=O)cnn1C ZINC000577596187 366010701 /nfs/dbraw/zinc/01/07/01/366010701.db2.gz SBGDEXKNBSMNEH-MRVPVSSYSA-N 1 2 210.281 0.034 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628315316 350877684 /nfs/dbraw/zinc/87/76/84/350877684.db2.gz HERADTUMWCLMDI-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628315316 350877685 /nfs/dbraw/zinc/87/76/85/350877685.db2.gz HERADTUMWCLMDI-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cn(C2CC2)nn1 ZINC000626291208 350892866 /nfs/dbraw/zinc/89/28/66/350892866.db2.gz YRVLNMABYWBYSW-UHFFFAOYSA-N 1 2 245.242 0.388 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396032 350995770 /nfs/dbraw/zinc/99/57/70/350995770.db2.gz WMDPDTDQHVXZHC-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396032 350995774 /nfs/dbraw/zinc/99/57/74/350995774.db2.gz WMDPDTDQHVXZHC-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCN(CCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607145506 350943338 /nfs/dbraw/zinc/94/33/38/350943338.db2.gz ARKQOMFQDLHMOB-UHFFFAOYSA-N 1 2 233.275 0.481 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1cnn[nH]1 ZINC000398336240 351037109 /nfs/dbraw/zinc/03/71/09/351037109.db2.gz IFNNFYFXSDTEHV-UHFFFAOYSA-N 1 2 220.280 0.390 20 0 BCADLO CN(C)c1cc[nH+]cc1CNCc1c[nH]nn1 ZINC000623578497 363011207 /nfs/dbraw/zinc/01/12/07/363011207.db2.gz JZWOLLKYRCICNG-UHFFFAOYSA-N 1 2 232.291 0.556 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@]12CCC[C@H]1OCC2 ZINC000631238875 351265294 /nfs/dbraw/zinc/26/52/94/351265294.db2.gz MDAOFNJXTKZLGL-SKDRFNHKSA-N 1 2 235.287 0.985 20 0 BCADLO Cc1oc(C(=O)NCc2[nH]cc[nH+]2)cc1CO ZINC000631239747 351281831 /nfs/dbraw/zinc/28/18/31/351281831.db2.gz VTFJTFRUPOQABX-UHFFFAOYSA-N 1 2 235.243 0.733 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000628340666 351284493 /nfs/dbraw/zinc/28/44/93/351284493.db2.gz RQSLBAWMDPOORB-GXSJLCMTSA-N 1 2 207.277 0.675 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000628340666 351284495 /nfs/dbraw/zinc/28/44/95/351284495.db2.gz RQSLBAWMDPOORB-GXSJLCMTSA-N 1 2 207.277 0.675 20 0 BCADLO CC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000034989738 351376611 /nfs/dbraw/zinc/37/66/11/351376611.db2.gz XLPRNYYFVHCTRV-UHFFFAOYSA-N 1 2 219.288 0.793 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCC[C@@H]2O)n1 ZINC000631251240 351392195 /nfs/dbraw/zinc/39/21/95/351392195.db2.gz MVFDODNKYMGLDL-IUCAKERBSA-N 1 2 239.323 0.431 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000307042688 351445152 /nfs/dbraw/zinc/44/51/52/351445152.db2.gz BREVSORFRPMYGM-UHFFFAOYSA-N 1 2 209.249 0.359 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCC2(C1)OCCO2 ZINC000307042688 351445155 /nfs/dbraw/zinc/44/51/55/351445155.db2.gz BREVSORFRPMYGM-UHFFFAOYSA-N 1 2 209.249 0.359 20 0 BCADLO CCN1CC[N@H+](Cc2cccn2C)CC1=O ZINC000273347231 351520314 /nfs/dbraw/zinc/52/03/14/351520314.db2.gz AIWDUVFWHLCMIT-UHFFFAOYSA-N 1 2 221.304 0.689 20 0 BCADLO CCN1CC[N@@H+](Cc2cccn2C)CC1=O ZINC000273347231 351520315 /nfs/dbraw/zinc/52/03/15/351520315.db2.gz AIWDUVFWHLCMIT-UHFFFAOYSA-N 1 2 221.304 0.689 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccn1 ZINC000088094459 351597154 /nfs/dbraw/zinc/59/71/54/351597154.db2.gz BGNVQZZAOVSGFD-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccn1 ZINC000088094459 351597159 /nfs/dbraw/zinc/59/71/59/351597159.db2.gz BGNVQZZAOVSGFD-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO Cc1nc(C[NH2+][C@H]2CCCNC2=O)[nH]c1C ZINC000577651246 366032593 /nfs/dbraw/zinc/03/25/93/366032593.db2.gz FEBSLGKMWGSGMD-VIFPVBQESA-N 1 2 222.292 0.395 20 0 BCADLO Cc1[nH]c(CN[C@H]2CCCNC2=O)[nH+]c1C ZINC000577651246 366032600 /nfs/dbraw/zinc/03/26/00/366032600.db2.gz FEBSLGKMWGSGMD-VIFPVBQESA-N 1 2 222.292 0.395 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)Cn1cc[nH+]c1 ZINC000577672077 366033423 /nfs/dbraw/zinc/03/34/23/366033423.db2.gz ZGTVVHMNXMUUKI-JTQLQIEISA-N 1 2 233.275 0.285 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)CO1 ZINC000577671960 366033506 /nfs/dbraw/zinc/03/35/06/366033506.db2.gz COCIBSZUWSMKGX-NXEZZACHSA-N 1 2 223.276 0.519 20 0 BCADLO Cc1cnc(CNC(=O)Cn2cc[nH+]c2)s1 ZINC000577689673 366037139 /nfs/dbraw/zinc/03/71/39/366037139.db2.gz YOGSGRLWKNNOKQ-UHFFFAOYSA-N 1 2 236.300 0.964 20 0 BCADLO [NH3+][C@H]1CC=C(C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000637906742 351776313 /nfs/dbraw/zinc/77/63/13/351776313.db2.gz XTVAPRYLBFBCEY-QMMMGPOBSA-N 1 2 243.270 0.944 20 0 BCADLO CO[C@@]1(C[N@H+](C)CC(F)F)CCOC1 ZINC000637974136 351849575 /nfs/dbraw/zinc/84/95/75/351849575.db2.gz QLLFIVIRTKRFEC-SECBINFHSA-N 1 2 209.236 0.989 20 0 BCADLO CO[C@@]1(C[N@@H+](C)CC(F)F)CCOC1 ZINC000637974136 351849576 /nfs/dbraw/zinc/84/95/76/351849576.db2.gz QLLFIVIRTKRFEC-SECBINFHSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@H]1C(=O)NCCN1[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000637989099 351864349 /nfs/dbraw/zinc/86/43/49/351864349.db2.gz GWQSHFUUUQUJNT-GXSJLCMTSA-N 1 2 248.330 0.692 20 0 BCADLO O=c1ccc(CN2CCn3cc[nH+]c3C2)c[nH]1 ZINC000638011606 351889179 /nfs/dbraw/zinc/88/91/79/351889179.db2.gz CJRYENBVLKHSKG-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cnns1 ZINC000366607876 351906258 /nfs/dbraw/zinc/90/62/58/351906258.db2.gz LOSNUTLPKIIWGJ-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cnns1 ZINC000366607876 351906261 /nfs/dbraw/zinc/90/62/61/351906261.db2.gz LOSNUTLPKIIWGJ-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO CSC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357778750 187552591 /nfs/dbraw/zinc/55/25/91/187552591.db2.gz ITOKZWKWBHDHFO-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO CCn1nccc1C[N@H+](CC)[C@H]1CCNC1=O ZINC000281760575 351908304 /nfs/dbraw/zinc/90/83/04/351908304.db2.gz LIQMJDCDWHYGHA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+](CC)[C@H]1CCNC1=O ZINC000281760575 351908305 /nfs/dbraw/zinc/90/83/05/351908305.db2.gz LIQMJDCDWHYGHA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CN1CC[N@H+](Cc2ccc(=O)[nH]c2)C(C)(C)C1=O ZINC000638115136 351990526 /nfs/dbraw/zinc/99/05/26/351990526.db2.gz AKONSKHRCUKQFD-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(=O)[nH]c2)C(C)(C)C1=O ZINC000638115136 351990529 /nfs/dbraw/zinc/99/05/29/351990529.db2.gz AKONSKHRCUKQFD-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO COc1ncc(C[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000638159550 352023748 /nfs/dbraw/zinc/02/37/48/352023748.db2.gz BZKLZLVFOCUAHI-OCAPTIKFSA-N 1 2 244.316 0.079 20 0 BCADLO COc1ncc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000638159550 352023751 /nfs/dbraw/zinc/02/37/51/352023751.db2.gz BZKLZLVFOCUAHI-OCAPTIKFSA-N 1 2 244.316 0.079 20 0 BCADLO Cc1cc(N(C)CC2N=NC(=O)O2)nc(C)[nH+]1 ZINC000425284677 191150590 /nfs/dbraw/zinc/15/05/90/191150590.db2.gz RBCBAHOHAANZHZ-UHFFFAOYSA-N 1 2 235.247 0.818 20 0 BCADLO COC[C@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000218937784 363132231 /nfs/dbraw/zinc/13/22/31/363132231.db2.gz PJEPARYIQRLIOU-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO CC[NH+]1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000411148975 191164896 /nfs/dbraw/zinc/16/48/96/191164896.db2.gz OPAZAPFGUOEMRI-VIFPVBQESA-N 1 2 223.324 0.812 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613390752 363162619 /nfs/dbraw/zinc/16/26/19/363162619.db2.gz YUYPQBHTUHUBEL-ZYHUDNBSSA-N 1 2 237.299 0.914 20 0 BCADLO Cc1cc(NC(=O)NCc2c[nH+]cn2C)n(C)n1 ZINC000336004475 538102377 /nfs/dbraw/zinc/10/23/77/538102377.db2.gz RDYFBJRZCFZCSI-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1cn(C)c[nH+]1 ZINC000618904185 352330524 /nfs/dbraw/zinc/33/05/24/352330524.db2.gz VPBNODVBBFQHPI-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)C1(NCc2cn(C)c[nH+]2)CCCC1 ZINC000618905483 352346881 /nfs/dbraw/zinc/34/68/81/352346881.db2.gz MCPBNNHBUVLDLN-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO CC[C@@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411437173 191186589 /nfs/dbraw/zinc/18/65/89/191186589.db2.gz HCMHYGDZTVGPAS-WCBMZHEXSA-N 1 2 203.282 0.689 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000411434774 191186607 /nfs/dbraw/zinc/18/66/07/191186607.db2.gz ZRSFERSOKBFUOK-LLVKDONJSA-N 1 2 214.309 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000411434774 191186610 /nfs/dbraw/zinc/18/66/10/191186610.db2.gz ZRSFERSOKBFUOK-LLVKDONJSA-N 1 2 214.309 0.623 20 0 BCADLO C[C@@]1(F)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000434480050 191190781 /nfs/dbraw/zinc/19/07/81/191190781.db2.gz LXPXZVJOEGBXKE-VHSXEESVSA-N 1 2 235.324 0.855 20 0 BCADLO C[C@@]1(F)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000434480050 191190783 /nfs/dbraw/zinc/19/07/83/191190783.db2.gz LXPXZVJOEGBXKE-VHSXEESVSA-N 1 2 235.324 0.855 20 0 BCADLO CCC[N@H+](CC(=O)NCC)[C@@H](C)C(=O)OCC ZINC000411633821 191199206 /nfs/dbraw/zinc/19/92/06/191199206.db2.gz AXFRMZJAWIJFJG-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCC[N@@H+](CC(=O)NCC)[C@@H](C)C(=O)OCC ZINC000411633821 191199209 /nfs/dbraw/zinc/19/92/09/191199209.db2.gz AXFRMZJAWIJFJG-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170019768 187707929 /nfs/dbraw/zinc/70/79/29/187707929.db2.gz DNTBZWOMNAXILB-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO Cn1cc[nH+]c1CS(=O)(=O)CC1CC1 ZINC000359903421 180750454 /nfs/dbraw/zinc/75/04/54/180750454.db2.gz BYGCSZFWIGRKKL-UHFFFAOYSA-N 1 2 214.290 0.745 20 0 BCADLO Cn1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1=O ZINC000352182932 538104201 /nfs/dbraw/zinc/10/42/01/538104201.db2.gz XKJDTGSROXDAKY-UHFFFAOYSA-N 1 2 247.258 0.430 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)c1ccn[nH]1 ZINC000052992684 352587324 /nfs/dbraw/zinc/58/73/24/352587324.db2.gz RDZFWHVWKLSPCO-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CCO[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000608010924 352605766 /nfs/dbraw/zinc/60/57/66/352605766.db2.gz DNJSLWKSVAKTMI-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnsn1 ZINC000053025327 352651575 /nfs/dbraw/zinc/65/15/75/352651575.db2.gz JCVHISRYEJWLQG-ZETCQYMHSA-N 1 2 237.288 0.553 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411882276 191226536 /nfs/dbraw/zinc/22/65/36/191226536.db2.gz YKOPCCILCHYANL-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411882276 191226538 /nfs/dbraw/zinc/22/65/38/191226538.db2.gz YKOPCCILCHYANL-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCO1 ZINC000336744416 352695731 /nfs/dbraw/zinc/69/57/31/352695731.db2.gz UXEZYPUGHMPKAZ-HTQZYQBOSA-N 1 2 226.280 0.558 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OC ZINC000113164394 352677985 /nfs/dbraw/zinc/67/79/85/352677985.db2.gz ZOSUOMLILVXERW-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000412033026 191243962 /nfs/dbraw/zinc/24/39/62/191243962.db2.gz IDVKKGFDAXESRQ-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000412033026 191243963 /nfs/dbraw/zinc/24/39/63/191243963.db2.gz IDVKKGFDAXESRQ-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c[nH+]1 ZINC000617438548 352684895 /nfs/dbraw/zinc/68/48/95/352684895.db2.gz YKUZSZGMIYWXGX-XPUUQOCRSA-N 1 2 246.274 0.745 20 0 BCADLO CCN1CC[N@H+](CCn2cc(C)cn2)CC1=O ZINC000341901257 352733045 /nfs/dbraw/zinc/73/30/45/352733045.db2.gz BTGBEGHTYPCKAK-UHFFFAOYSA-N 1 2 236.319 0.356 20 0 BCADLO CCN1CC[N@@H+](CCn2cc(C)cn2)CC1=O ZINC000341901257 352733048 /nfs/dbraw/zinc/73/30/48/352733048.db2.gz BTGBEGHTYPCKAK-UHFFFAOYSA-N 1 2 236.319 0.356 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000151360867 352755018 /nfs/dbraw/zinc/75/50/18/352755018.db2.gz VLSAFAUILHPFMS-DTWKUNHWSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@](O)(C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000334182393 352770881 /nfs/dbraw/zinc/77/08/81/352770881.db2.gz FWPYKKIHSNVZBS-ZDUSSCGKSA-N 1 2 238.331 0.454 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000412041208 191249078 /nfs/dbraw/zinc/24/90/78/191249078.db2.gz RODVNIAGIUNXTI-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000412041208 191249080 /nfs/dbraw/zinc/24/90/80/191249080.db2.gz RODVNIAGIUNXTI-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412077728 191254136 /nfs/dbraw/zinc/25/41/36/191254136.db2.gz JOCKEUWPOCVIIY-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412077728 191254139 /nfs/dbraw/zinc/25/41/39/191254139.db2.gz JOCKEUWPOCVIIY-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)[nH]1 ZINC000412074093 191251185 /nfs/dbraw/zinc/25/11/85/191251185.db2.gz IMDCCDBHPUIOGF-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)[nH]1 ZINC000412074093 191251188 /nfs/dbraw/zinc/25/11/88/191251188.db2.gz IMDCCDBHPUIOGF-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)n1 ZINC000412073103 191251790 /nfs/dbraw/zinc/25/17/90/191251790.db2.gz HHGZCBDJLDSRKZ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)n1 ZINC000412073103 191251792 /nfs/dbraw/zinc/25/17/92/191251792.db2.gz HHGZCBDJLDSRKZ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H](C)C[N@@H+]1C ZINC000334202570 352796392 /nfs/dbraw/zinc/79/63/92/352796392.db2.gz PUZIMXOZSUEIJU-BDAKNGLRSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H](C)C[N@H+]1C ZINC000334202570 352796394 /nfs/dbraw/zinc/79/63/94/352796394.db2.gz PUZIMXOZSUEIJU-BDAKNGLRSA-N 1 2 222.292 0.574 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000334207134 352802505 /nfs/dbraw/zinc/80/25/05/352802505.db2.gz BVYOYQHPHBNBDA-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000334207134 352802508 /nfs/dbraw/zinc/80/25/08/352802508.db2.gz BVYOYQHPHBNBDA-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000334231539 352849043 /nfs/dbraw/zinc/84/90/43/352849043.db2.gz UQMCQABPLJQUIC-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000334231539 352849045 /nfs/dbraw/zinc/84/90/45/352849045.db2.gz UQMCQABPLJQUIC-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412084498 191255126 /nfs/dbraw/zinc/25/51/26/191255126.db2.gz MMRHKHIRPNFKOK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412084498 191255128 /nfs/dbraw/zinc/25/51/28/191255128.db2.gz MMRHKHIRPNFKOK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]c[nH]2)c(C)o1 ZINC000334255595 352865752 /nfs/dbraw/zinc/86/57/52/352865752.db2.gz OEHGVOVJIBFDMG-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH]c[nH+]2)c(C)o1 ZINC000334255595 352865753 /nfs/dbraw/zinc/86/57/53/352865753.db2.gz OEHGVOVJIBFDMG-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)nc1 ZINC000342845680 352873293 /nfs/dbraw/zinc/87/32/93/352873293.db2.gz KBZWNBSFLULUEI-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO CCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334227574 352844542 /nfs/dbraw/zinc/84/45/42/352844542.db2.gz GBKAVWBSVKPZGV-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334227574 352844543 /nfs/dbraw/zinc/84/45/43/352844543.db2.gz GBKAVWBSVKPZGV-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334269075 352905776 /nfs/dbraw/zinc/90/57/76/352905776.db2.gz CQQVPKMFRGUMPX-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334269080 352905826 /nfs/dbraw/zinc/90/58/26/352905826.db2.gz CQQVPKMFRGUMPX-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000334299165 352919548 /nfs/dbraw/zinc/91/95/48/352919548.db2.gz PYOIKPPIINHNNN-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000334299165 352919549 /nfs/dbraw/zinc/91/95/49/352919549.db2.gz PYOIKPPIINHNNN-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334285944 352925271 /nfs/dbraw/zinc/92/52/71/352925271.db2.gz KMTRLLWMMNLWML-GZMMTYOYSA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334285944 352925273 /nfs/dbraw/zinc/92/52/73/352925273.db2.gz KMTRLLWMMNLWML-GZMMTYOYSA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334285952 352925608 /nfs/dbraw/zinc/92/56/08/352925608.db2.gz KMTRLLWMMNLWML-LDYMZIIASA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334285952 352925612 /nfs/dbraw/zinc/92/56/12/352925612.db2.gz KMTRLLWMMNLWML-LDYMZIIASA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412092656 191259253 /nfs/dbraw/zinc/25/92/53/191259253.db2.gz QPIOLZJEQHAWNN-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412092656 191259255 /nfs/dbraw/zinc/25/92/55/191259255.db2.gz QPIOLZJEQHAWNN-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334269321 352905513 /nfs/dbraw/zinc/90/55/13/352905513.db2.gz CVVJSHGZLBWSBW-AOOOYVTPSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334269321 352905515 /nfs/dbraw/zinc/90/55/15/352905515.db2.gz CVVJSHGZLBWSBW-AOOOYVTPSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412103901 191261562 /nfs/dbraw/zinc/26/15/62/191261562.db2.gz ZORIVQICAVYJBB-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412103901 191261563 /nfs/dbraw/zinc/26/15/63/191261563.db2.gz ZORIVQICAVYJBB-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO C[C@H]1[C@H](C(=O)NCc2[nH+]ccn2C)C1(F)F ZINC000334314624 352945195 /nfs/dbraw/zinc/94/51/95/352945195.db2.gz PNSJSSZPSWYXPH-POYBYMJQSA-N 1 2 229.230 0.938 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)C1(F)F ZINC000334314627 352945360 /nfs/dbraw/zinc/94/53/60/352945360.db2.gz PNSJSSZPSWYXPH-XPUUQOCRSA-N 1 2 229.230 0.938 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412103902 191261457 /nfs/dbraw/zinc/26/14/57/191261457.db2.gz ZORIVQICAVYJBB-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412103902 191261459 /nfs/dbraw/zinc/26/14/59/191261459.db2.gz ZORIVQICAVYJBB-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C2(C(C)=O)CC2)[C@H](C)C1 ZINC000334332437 352969661 /nfs/dbraw/zinc/96/96/61/352969661.db2.gz QRGTZDCIEHBUJZ-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)C2(C(C)=O)CC2)[C@H](C)C1 ZINC000334332437 352969662 /nfs/dbraw/zinc/96/96/62/352969662.db2.gz QRGTZDCIEHBUJZ-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412103903 191262310 /nfs/dbraw/zinc/26/23/10/191262310.db2.gz ZORIVQICAVYJBB-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412103903 191262311 /nfs/dbraw/zinc/26/23/11/191262311.db2.gz ZORIVQICAVYJBB-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1CCOCC1 ZINC000583492833 353021647 /nfs/dbraw/zinc/02/16/47/353021647.db2.gz PVUOUFKXAAUJFN-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cc(C2CC2)no1 ZINC000638848409 353028414 /nfs/dbraw/zinc/02/84/14/353028414.db2.gz XPPQMFPZCQYVFM-UHFFFAOYSA-N 1 2 223.276 0.778 20 0 BCADLO CCOc1ncccc1C[NH2+]Cc1ncnn1C ZINC000638854940 353032121 /nfs/dbraw/zinc/03/21/21/353032121.db2.gz YFSHOMJNUNVDEQ-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000638897758 353060593 /nfs/dbraw/zinc/06/05/93/353060593.db2.gz LTIBPBBWTQTGET-VIFPVBQESA-N 1 2 235.287 0.836 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1F ZINC000638908916 353071440 /nfs/dbraw/zinc/07/14/40/353071440.db2.gz AXQMHZNYCGGMKK-CBAPKCEASA-N 1 2 239.298 0.482 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnc(N)nc2N)C[C@@H]1F ZINC000638908916 353071442 /nfs/dbraw/zinc/07/14/42/353071442.db2.gz AXQMHZNYCGGMKK-CBAPKCEASA-N 1 2 239.298 0.482 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnc(N)nc2N)C[C@@H]1F ZINC000638908916 353071445 /nfs/dbraw/zinc/07/14/45/353071445.db2.gz AXQMHZNYCGGMKK-CBAPKCEASA-N 1 2 239.298 0.482 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1F ZINC000638908915 353071499 /nfs/dbraw/zinc/07/14/99/353071499.db2.gz AXQMHZNYCGGMKK-APPZFPTMSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnc(N)nc2N)C[C@@H]1F ZINC000638908915 353071501 /nfs/dbraw/zinc/07/15/01/353071501.db2.gz AXQMHZNYCGGMKK-APPZFPTMSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)nc2N)C[C@@H]1F ZINC000638908915 353071504 /nfs/dbraw/zinc/07/15/04/353071504.db2.gz AXQMHZNYCGGMKK-APPZFPTMSA-N 1 2 239.298 0.482 20 0 BCADLO NS(=O)(=O)c1ccc(C[N@H+]2CC=CCC2)o1 ZINC000638915071 353073968 /nfs/dbraw/zinc/07/39/68/353073968.db2.gz YTUQQSWUMZUMNZ-UHFFFAOYSA-N 1 2 242.300 0.689 20 0 BCADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC=CCC2)o1 ZINC000638915071 353073970 /nfs/dbraw/zinc/07/39/70/353073970.db2.gz YTUQQSWUMZUMNZ-UHFFFAOYSA-N 1 2 242.300 0.689 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000334425303 353103948 /nfs/dbraw/zinc/10/39/48/353103948.db2.gz ULBZVRHUQVGQJL-SECBINFHSA-N 1 2 221.260 0.481 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000334425303 353103950 /nfs/dbraw/zinc/10/39/50/353103950.db2.gz ULBZVRHUQVGQJL-SECBINFHSA-N 1 2 221.260 0.481 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000334425304 353103969 /nfs/dbraw/zinc/10/39/69/353103969.db2.gz ULBZVRHUQVGQJL-VIFPVBQESA-N 1 2 221.260 0.481 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000334425304 353103970 /nfs/dbraw/zinc/10/39/70/353103970.db2.gz ULBZVRHUQVGQJL-VIFPVBQESA-N 1 2 221.260 0.481 20 0 BCADLO C/C=C\CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000627932133 353108379 /nfs/dbraw/zinc/10/83/79/353108379.db2.gz LHYANFCMKVBFAJ-ARJAWSKDSA-N 1 2 249.270 0.721 20 0 BCADLO CCc1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000092976169 538108319 /nfs/dbraw/zinc/10/83/19/538108319.db2.gz DWGGXZUUXMABRS-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO CCc1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000092976169 538108320 /nfs/dbraw/zinc/10/83/20/538108320.db2.gz DWGGXZUUXMABRS-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356211704 188018535 /nfs/dbraw/zinc/01/85/35/188018535.db2.gz DYDLREIVAPEGLU-ZMWSMAPVSA-N 1 2 237.303 0.786 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccno1 ZINC000264606825 188021267 /nfs/dbraw/zinc/02/12/67/188021267.db2.gz HUUOLVZYOVHEMP-JTQLQIEISA-N 1 2 223.276 0.631 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000264606825 188021269 /nfs/dbraw/zinc/02/12/69/188021269.db2.gz HUUOLVZYOVHEMP-JTQLQIEISA-N 1 2 223.276 0.631 20 0 BCADLO Cc1cccn2cc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)nc12 ZINC000093092995 538108561 /nfs/dbraw/zinc/10/85/61/538108561.db2.gz DIKBOCQMBZRCTA-TXEJJXNPSA-N 1 2 247.298 0.180 20 0 BCADLO Cc1cccn2cc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)nc12 ZINC000093092995 538108562 /nfs/dbraw/zinc/10/85/62/538108562.db2.gz DIKBOCQMBZRCTA-TXEJJXNPSA-N 1 2 247.298 0.180 20 0 BCADLO CNC(=O)C(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269676136 188024238 /nfs/dbraw/zinc/02/42/38/188024238.db2.gz LGUDALXPRXJQCK-UHFFFAOYSA-N 1 2 238.291 0.220 20 0 BCADLO CC(C)N1CCN(Cc2cc[nH+]c(N)c2)CC1=O ZINC000278872058 188030432 /nfs/dbraw/zinc/03/04/32/188030432.db2.gz OFLUGRKCMLJWBH-UHFFFAOYSA-N 1 2 248.330 0.716 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000285008563 188034018 /nfs/dbraw/zinc/03/40/18/188034018.db2.gz CKXWCUUFEXTSEJ-VHSXEESVSA-N 1 2 225.292 0.405 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000286035980 188034388 /nfs/dbraw/zinc/03/43/88/188034388.db2.gz PKEGBRGJSAVNCS-UHFFFAOYSA-N 1 2 249.278 0.165 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](O)CO ZINC000287545460 188035236 /nfs/dbraw/zinc/03/52/36/188035236.db2.gz ONJZKHJUMPIPNN-VIFPVBQESA-N 1 2 239.275 0.173 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000292250258 188037200 /nfs/dbraw/zinc/03/72/00/188037200.db2.gz ULSUHUUZDMFGRU-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO CC(=O)NCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000298279462 188040782 /nfs/dbraw/zinc/04/07/82/188040782.db2.gz QCHDNWDRGNWUBL-UHFFFAOYSA-N 1 2 246.270 0.087 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096642026 188051245 /nfs/dbraw/zinc/05/12/45/188051245.db2.gz WLPNIMWPPFHMHC-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000331580719 188053098 /nfs/dbraw/zinc/05/30/98/188053098.db2.gz VSIOKNAURMAUPU-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO CC[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047576880 353152696 /nfs/dbraw/zinc/15/26/96/353152696.db2.gz OIPOMJRXHPISMR-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CC(=O)C1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000341750144 188044649 /nfs/dbraw/zinc/04/46/49/188044649.db2.gz LCTRAPKXBSHXJR-UHFFFAOYSA-N 1 2 221.260 0.704 20 0 BCADLO Cc1cc(N(C)[C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000343251794 353195368 /nfs/dbraw/zinc/19/53/68/353195368.db2.gz PKHJBVQPACIRJU-SECBINFHSA-N 1 2 220.276 0.452 20 0 BCADLO Cn1cc(C[NH2+]Cc2cccc(F)c2N)nn1 ZINC000638975539 353182308 /nfs/dbraw/zinc/18/23/08/353182308.db2.gz KTJBEIOOSVTMOK-UHFFFAOYSA-N 1 2 235.266 0.826 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCC1CC1 ZINC000288561395 538110553 /nfs/dbraw/zinc/11/05/53/538110553.db2.gz ZJFKVRRSXBVOKQ-JTQLQIEISA-N 1 2 248.286 0.673 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCC1CC1 ZINC000288561395 538110554 /nfs/dbraw/zinc/11/05/54/538110554.db2.gz ZJFKVRRSXBVOKQ-JTQLQIEISA-N 1 2 248.286 0.673 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCO1 ZINC000291185263 538110611 /nfs/dbraw/zinc/11/06/11/538110611.db2.gz CIVOFBVPFIABJN-VIFPVBQESA-N 1 2 209.249 0.215 20 0 BCADLO CC[N@H+](Cc1cccnc1OC)[C@H]1CCNC1=O ZINC000331280541 353234152 /nfs/dbraw/zinc/23/41/52/353234152.db2.gz FHCCIBLJJRWCFR-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cccnc1OC)[C@H]1CCNC1=O ZINC000331280541 353234155 /nfs/dbraw/zinc/23/41/55/353234155.db2.gz FHCCIBLJJRWCFR-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CC(C)N1CC[N@H+](CCCF)CC1=O ZINC000356388460 188238808 /nfs/dbraw/zinc/23/88/08/188238808.db2.gz NWSNRSAWWKAUFL-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO CC(C)N1CC[N@@H+](CCCF)CC1=O ZINC000356388460 188238810 /nfs/dbraw/zinc/23/88/10/188238810.db2.gz NWSNRSAWWKAUFL-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369359072 188246487 /nfs/dbraw/zinc/24/64/87/188246487.db2.gz PVUNFKAOVAPQIC-OTYXRUKQSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369359072 188246488 /nfs/dbraw/zinc/24/64/88/188246488.db2.gz PVUNFKAOVAPQIC-OTYXRUKQSA-N 1 2 217.334 0.808 20 0 BCADLO CC(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000023379470 188249679 /nfs/dbraw/zinc/24/96/79/188249679.db2.gz FYNSNPHKSINVSJ-UHFFFAOYSA-N 1 2 214.309 0.481 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+](C)CCO)s1 ZINC000283655892 188268462 /nfs/dbraw/zinc/26/84/62/188268462.db2.gz UHCRWPSPVXCTOS-ZCFIWIBFSA-N 1 2 201.295 0.832 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+](C)CCO)s1 ZINC000283655892 188268464 /nfs/dbraw/zinc/26/84/64/188268464.db2.gz UHCRWPSPVXCTOS-ZCFIWIBFSA-N 1 2 201.295 0.832 20 0 BCADLO CO[C@H](C[NH+]1CC(F)C1)[C@H]1CCOC1 ZINC000639038078 353310774 /nfs/dbraw/zinc/31/07/74/353310774.db2.gz KXEDABSNHMDZGL-WCBMZHEXSA-N 1 2 203.257 0.692 20 0 BCADLO Cn1cccc1C(=O)C[NH+]1CCC(O)CC1 ZINC000048777352 188326910 /nfs/dbraw/zinc/32/69/10/188326910.db2.gz ZWNZGQWVOWFUNO-UHFFFAOYSA-N 1 2 222.288 0.665 20 0 BCADLO CS[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000343284117 353351924 /nfs/dbraw/zinc/35/19/24/353351924.db2.gz FKCPGVGFFALZJN-ZETCQYMHSA-N 1 2 213.306 0.788 20 0 BCADLO Cc1cnn(CCC(=O)NCc2[nH+]ccn2C)c1 ZINC000343292591 353372437 /nfs/dbraw/zinc/37/24/37/353372437.db2.gz FKTZNHSPGIRFKP-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc[nH]n1 ZINC000336756266 188347328 /nfs/dbraw/zinc/34/73/28/188347328.db2.gz JGVBXTYWQQLXBS-UHFFFAOYSA-N 1 2 231.321 0.323 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@H](COC)C2)cn1 ZINC000193981371 188352212 /nfs/dbraw/zinc/35/22/12/188352212.db2.gz QIPHYNDDBIJMEZ-LBPRGKRZSA-N 1 2 237.303 0.831 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@H](COC)C2)cn1 ZINC000193981371 188352213 /nfs/dbraw/zinc/35/22/13/188352213.db2.gz QIPHYNDDBIJMEZ-LBPRGKRZSA-N 1 2 237.303 0.831 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@]2(C)CCOC2)[nH+]1 ZINC000339357845 188368958 /nfs/dbraw/zinc/36/89/58/188368958.db2.gz MZRMOUPAGBSYPO-LLVKDONJSA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(N[C@]2(C)CCOC2)nc(N(C)C)[nH+]1 ZINC000339357845 188368960 /nfs/dbraw/zinc/36/89/60/188368960.db2.gz MZRMOUPAGBSYPO-LLVKDONJSA-N 1 2 237.307 0.837 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000264704630 188371569 /nfs/dbraw/zinc/37/15/69/188371569.db2.gz DQMJFOXUCMVSLK-LLVKDONJSA-N 1 2 225.336 0.315 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000264704630 188371570 /nfs/dbraw/zinc/37/15/70/188371570.db2.gz DQMJFOXUCMVSLK-LLVKDONJSA-N 1 2 225.336 0.315 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000264675080 188371622 /nfs/dbraw/zinc/37/16/22/188371622.db2.gz BRCJYJWYDOCGNS-ATGJPIOOSA-N 1 2 237.347 0.481 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000264675080 188371624 /nfs/dbraw/zinc/37/16/24/188371624.db2.gz BRCJYJWYDOCGNS-ATGJPIOOSA-N 1 2 237.347 0.481 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2c[nH]nc2C)[C@H](C)C1 ZINC000271185767 188375984 /nfs/dbraw/zinc/37/59/84/188375984.db2.gz NHJWWFJIDSMAKU-SECBINFHSA-N 1 2 236.319 0.771 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2c[nH]nc2C)[C@H](C)C1 ZINC000271185767 188375986 /nfs/dbraw/zinc/37/59/86/188375986.db2.gz NHJWWFJIDSMAKU-SECBINFHSA-N 1 2 236.319 0.771 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCN1 ZINC000655481535 538117167 /nfs/dbraw/zinc/11/71/67/538117167.db2.gz DETOQOZNHBDFFF-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000274539717 188378197 /nfs/dbraw/zinc/37/81/97/188378197.db2.gz DRKGLDCFWGUIFM-VUDBWIFFSA-N 1 2 237.303 0.717 20 0 BCADLO Cc1nc(N2CC(C(C)(C)O)C2)cc[nH+]1 ZINC000275424230 188379499 /nfs/dbraw/zinc/37/94/99/188379499.db2.gz DECBAQOSVNPWCK-UHFFFAOYSA-N 1 2 207.277 0.992 20 0 BCADLO C=Cn1cc(C[N@H+]2CCn3nc(C)nc3C2)cn1 ZINC000278259328 188380933 /nfs/dbraw/zinc/38/09/33/188380933.db2.gz QHVXBOCSRMWFOR-UHFFFAOYSA-N 1 2 244.302 0.899 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCn3nc(C)nc3C2)cn1 ZINC000278259328 188380935 /nfs/dbraw/zinc/38/09/35/188380935.db2.gz QHVXBOCSRMWFOR-UHFFFAOYSA-N 1 2 244.302 0.899 20 0 BCADLO CC(=O)C1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000292578762 188391506 /nfs/dbraw/zinc/39/15/06/188391506.db2.gz DFHYAWJSOQPEPL-UHFFFAOYSA-N 1 2 235.287 0.759 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1cncnc1 ZINC000281500174 188384192 /nfs/dbraw/zinc/38/41/92/188384192.db2.gz HDMMERRRTCTKDT-UHFFFAOYSA-N 1 2 231.259 0.781 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283108762 188385716 /nfs/dbraw/zinc/38/57/16/188385716.db2.gz MIPWPFNXKSFBET-FECJWDPASA-N 1 2 235.287 0.866 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000366745152 188398976 /nfs/dbraw/zinc/39/89/76/188398976.db2.gz LXYNKAKGPKWAFB-LLVKDONJSA-N 1 2 248.286 0.620 20 0 BCADLO C=Cn1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000366745152 188398979 /nfs/dbraw/zinc/39/89/79/188398979.db2.gz LXYNKAKGPKWAFB-LLVKDONJSA-N 1 2 248.286 0.620 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000178862391 538117655 /nfs/dbraw/zinc/11/76/55/538117655.db2.gz WEEWAQBKANXHEB-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000178862391 538117656 /nfs/dbraw/zinc/11/76/56/538117656.db2.gz WEEWAQBKANXHEB-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294800550 188393267 /nfs/dbraw/zinc/39/32/67/188393267.db2.gz MTSZJMGYKJAYLX-LLVKDONJSA-N 1 2 240.278 0.722 20 0 BCADLO Cc1nc(F)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294800550 188393269 /nfs/dbraw/zinc/39/32/69/188393269.db2.gz MTSZJMGYKJAYLX-LLVKDONJSA-N 1 2 240.278 0.722 20 0 BCADLO CCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000343305038 353516411 /nfs/dbraw/zinc/51/64/11/353516411.db2.gz MDEPPTLPOBUTPG-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000343305038 353516412 /nfs/dbraw/zinc/51/64/12/353516412.db2.gz MDEPPTLPOBUTPG-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CC(C)(C)O ZINC000192028150 353533347 /nfs/dbraw/zinc/53/33/47/353533347.db2.gz JQYPCFQBRGKCDA-MRVPVSSYSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CC(C)(C)O ZINC000192028150 353533350 /nfs/dbraw/zinc/53/33/50/353533350.db2.gz JQYPCFQBRGKCDA-MRVPVSSYSA-N 1 2 239.323 0.772 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000334512837 353550095 /nfs/dbraw/zinc/55/00/95/353550095.db2.gz YIJZGZZQZWDIKU-UHFFFAOYSA-N 1 2 244.298 0.883 20 0 BCADLO Cc1cc(N2CC[C@H](O)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000399008755 353587038 /nfs/dbraw/zinc/58/70/38/353587038.db2.gz WAUFQNOUDGRQAD-AAEUAGOBSA-N 1 2 247.298 0.441 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H](C)C(=O)NC ZINC000193369357 353587745 /nfs/dbraw/zinc/58/77/45/353587745.db2.gz MABPSFWBQPTNLH-VIFPVBQESA-N 1 2 239.323 0.112 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000193369357 353587749 /nfs/dbraw/zinc/58/77/49/353587749.db2.gz MABPSFWBQPTNLH-VIFPVBQESA-N 1 2 239.323 0.112 20 0 BCADLO OCC(CO)[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000577884611 366096986 /nfs/dbraw/zinc/09/69/86/366096986.db2.gz SHTCRQTYGNTCIJ-UHFFFAOYSA-N 1 2 249.270 0.179 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412427114 191284487 /nfs/dbraw/zinc/28/44/87/191284487.db2.gz LPNAZKKIDTXXAU-YFKTTZPYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412427114 191284490 /nfs/dbraw/zinc/28/44/90/191284490.db2.gz LPNAZKKIDTXXAU-YFKTTZPYSA-N 1 2 238.331 0.574 20 0 BCADLO O=C(CO)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000152562226 324186292 /nfs/dbraw/zinc/18/62/92/324186292.db2.gz NWYMWPPHZBZDMI-UHFFFAOYSA-N 1 2 240.225 0.075 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194910015 353709730 /nfs/dbraw/zinc/70/97/30/353709730.db2.gz GTOPNGNOIOQMFI-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194910015 353709735 /nfs/dbraw/zinc/70/97/35/353709735.db2.gz GTOPNGNOIOQMFI-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577917251 366101704 /nfs/dbraw/zinc/10/17/04/366101704.db2.gz QEGPFNNHJUEZGN-SNVBAGLBSA-N 1 2 239.319 0.486 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(N)=O ZINC000195518495 353765803 /nfs/dbraw/zinc/76/58/03/353765803.db2.gz SYYIGQAAEVALOD-MRVPVSSYSA-N 1 2 210.281 0.116 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(N)=O ZINC000195518495 353765806 /nfs/dbraw/zinc/76/58/06/353765806.db2.gz SYYIGQAAEVALOD-MRVPVSSYSA-N 1 2 210.281 0.116 20 0 BCADLO COC[C@](C)(O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309487546 491055609 /nfs/dbraw/zinc/05/56/09/491055609.db2.gz VYUGMVVQNRVFSJ-GZMMTYOYSA-N 1 2 227.308 0.766 20 0 BCADLO CC1(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)CC1 ZINC000348578437 366119992 /nfs/dbraw/zinc/11/99/92/366119992.db2.gz WJOZZIJBRGVPLU-VIFPVBQESA-N 1 2 248.286 0.673 20 0 BCADLO CC1(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CC1 ZINC000348578437 366119998 /nfs/dbraw/zinc/11/99/98/366119998.db2.gz WJOZZIJBRGVPLU-VIFPVBQESA-N 1 2 248.286 0.673 20 0 BCADLO OCC[NH+](CCO)Cc1nc(C2CC2)cs1 ZINC000343508099 353922843 /nfs/dbraw/zinc/92/28/43/353922843.db2.gz IMKNRVMDSZSZKZ-UHFFFAOYSA-N 1 2 242.344 0.807 20 0 BCADLO CC(C)c1nc(N(C)[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000343590772 353941889 /nfs/dbraw/zinc/94/18/89/353941889.db2.gz MIOJHJDUELQCQI-NXEZZACHSA-N 1 2 237.303 0.796 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cc(F)c[nH]1 ZINC000334525546 353898108 /nfs/dbraw/zinc/89/81/08/353898108.db2.gz CNWGKNUSGUVULJ-UHFFFAOYSA-N 1 2 222.223 0.817 20 0 BCADLO CCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000343753156 353972805 /nfs/dbraw/zinc/97/28/05/353972805.db2.gz JKJVBUVJCVWLSB-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000343753156 353972808 /nfs/dbraw/zinc/97/28/08/353972808.db2.gz JKJVBUVJCVWLSB-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CCN2CCNC2=O)CCN1C ZINC000343712910 353956538 /nfs/dbraw/zinc/95/65/38/353956538.db2.gz NPRYOLAGEKZOQZ-GHMZBOCLSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CCN2CCNC2=O)CCN1C ZINC000343712910 353956539 /nfs/dbraw/zinc/95/65/39/353956539.db2.gz NPRYOLAGEKZOQZ-GHMZBOCLSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CCN2CCNC2=O)CCN1C ZINC000343712912 353956666 /nfs/dbraw/zinc/95/66/66/353956666.db2.gz NPRYOLAGEKZOQZ-MNOVXSKESA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CCN2CCNC2=O)CCN1C ZINC000343712912 353956667 /nfs/dbraw/zinc/95/66/67/353956667.db2.gz NPRYOLAGEKZOQZ-MNOVXSKESA-N 1 2 240.351 0.036 20 0 BCADLO CO[C@@H](C)CN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000343814926 354012212 /nfs/dbraw/zinc/01/22/12/354012212.db2.gz WFKGURLZSXISHG-QMMMGPOBSA-N 1 2 239.323 0.717 20 0 BCADLO CO[C@@H](C)CN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000343814926 354012215 /nfs/dbraw/zinc/01/22/15/354012215.db2.gz WFKGURLZSXISHG-QMMMGPOBSA-N 1 2 239.323 0.717 20 0 BCADLO Cc1cn2cc(NC(=O)CNC(N)=O)ccc2[nH+]1 ZINC000343841819 354019779 /nfs/dbraw/zinc/01/97/79/354019779.db2.gz WIIRKYMIPKUJMJ-UHFFFAOYSA-N 1 2 247.258 0.250 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1O ZINC000230267466 363301479 /nfs/dbraw/zinc/30/14/79/363301479.db2.gz UTFQJJQCOIJMJJ-ZJUUUORDSA-N 1 2 207.277 0.679 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1O ZINC000230267466 363301483 /nfs/dbraw/zinc/30/14/83/363301483.db2.gz UTFQJJQCOIJMJJ-ZJUUUORDSA-N 1 2 207.277 0.679 20 0 BCADLO CCC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000343948591 354068436 /nfs/dbraw/zinc/06/84/36/354068436.db2.gz IJXKHEZXONTGLL-MRVPVSSYSA-N 1 2 248.290 0.429 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCc1ccncc1 ZINC000344025453 354087401 /nfs/dbraw/zinc/08/74/01/354087401.db2.gz YVVHJUMRDHWGNL-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO CCC(=O)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000344085811 354137323 /nfs/dbraw/zinc/13/73/23/354137323.db2.gz DVYZZFIHEWLRAF-VIFPVBQESA-N 1 2 244.360 0.519 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000334562294 354118186 /nfs/dbraw/zinc/11/81/86/354118186.db2.gz KKLJFHHRUBDDMD-WCBMZHEXSA-N 1 2 240.328 0.602 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000334562294 354118187 /nfs/dbraw/zinc/11/81/87/354118187.db2.gz KKLJFHHRUBDDMD-WCBMZHEXSA-N 1 2 240.328 0.602 20 0 BCADLO Cc1scnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000529549228 324336954 /nfs/dbraw/zinc/33/69/54/324336954.db2.gz NPEXHSOINGZZSM-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1scnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000529549228 324336957 /nfs/dbraw/zinc/33/69/57/324336957.db2.gz NPEXHSOINGZZSM-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127875 354146729 /nfs/dbraw/zinc/14/67/29/354146729.db2.gz WZMKGFUFKIYIBD-IUCAKERBSA-N 1 2 240.307 0.725 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127875 354146732 /nfs/dbraw/zinc/14/67/32/354146732.db2.gz WZMKGFUFKIYIBD-IUCAKERBSA-N 1 2 240.307 0.725 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344126644 354146793 /nfs/dbraw/zinc/14/67/93/354146793.db2.gz JIJNENVVQXERSX-HTQZYQBOSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344126644 354146794 /nfs/dbraw/zinc/14/67/94/354146794.db2.gz JIJNENVVQXERSX-HTQZYQBOSA-N 1 2 226.280 0.103 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cncnc1 ZINC000230895624 363327579 /nfs/dbraw/zinc/32/75/79/363327579.db2.gz IXTAIZRMCCUQAQ-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cncnc1 ZINC000230895624 363327585 /nfs/dbraw/zinc/32/75/85/363327585.db2.gz IXTAIZRMCCUQAQ-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CCn1nncc1C(=O)Nc1cc[nH+]cc1O ZINC000344198966 354161698 /nfs/dbraw/zinc/16/16/98/354161698.db2.gz UYQXAIUAEDAYBJ-UHFFFAOYSA-N 1 2 233.231 0.073 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@@H](O)C1 ZINC000344202233 354162234 /nfs/dbraw/zinc/16/22/34/354162234.db2.gz NPBJRVIZXXEBCA-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccncc1 ZINC000344231872 354185689 /nfs/dbraw/zinc/18/56/89/354185689.db2.gz ZBTYGSAJFDKUPN-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334586566 354211373 /nfs/dbraw/zinc/21/13/73/354211373.db2.gz HAPFSYUILSLPNN-ZJUUUORDSA-N 1 2 227.308 0.121 20 0 BCADLO CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334586566 354211378 /nfs/dbraw/zinc/21/13/78/354211378.db2.gz HAPFSYUILSLPNN-ZJUUUORDSA-N 1 2 227.308 0.121 20 0 BCADLO CC[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000344376623 354255542 /nfs/dbraw/zinc/25/55/42/354255542.db2.gz YKUHNBYTRVKMQW-SNVBAGLBSA-N 1 2 233.271 0.835 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000627143858 363363546 /nfs/dbraw/zinc/36/35/46/363363546.db2.gz WDRVHZWGARHIPD-YZRBJQDESA-N 1 2 249.314 0.739 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccnc(C#N)c1 ZINC000383592999 354263550 /nfs/dbraw/zinc/26/35/50/354263550.db2.gz OISBQEQMJVRQSX-UHFFFAOYSA-N 1 2 232.287 0.651 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccnc(C#N)c1 ZINC000383592999 354263552 /nfs/dbraw/zinc/26/35/52/354263552.db2.gz OISBQEQMJVRQSX-UHFFFAOYSA-N 1 2 232.287 0.651 20 0 BCADLO C[C@@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCO[C@@H]1C1CC1 ZINC000344336620 354231812 /nfs/dbraw/zinc/23/18/12/354231812.db2.gz MUKMMLSXMSTPEC-MWLCHTKSSA-N 1 2 238.291 0.558 20 0 BCADLO Cc1cn2c([nH+]1)[C@H](CN1C(=O)CNC1=O)CCC2 ZINC000348936810 366148582 /nfs/dbraw/zinc/14/85/82/366148582.db2.gz XTXYTEGDGWCFFH-VIFPVBQESA-N 1 2 248.286 0.621 20 0 BCADLO CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334612700 354296574 /nfs/dbraw/zinc/29/65/74/354296574.db2.gz GETSPMUUXGIORH-NXEZZACHSA-N 1 2 227.308 0.121 20 0 BCADLO CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334612701 354296699 /nfs/dbraw/zinc/29/66/99/354296699.db2.gz GETSPMUUXGIORH-UWVGGRQHSA-N 1 2 227.308 0.121 20 0 BCADLO CCN(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000344443815 354274977 /nfs/dbraw/zinc/27/49/77/354274977.db2.gz NQEUKZJFDHUWNT-UHFFFAOYSA-N 1 2 229.324 0.322 20 0 BCADLO Cc1nc(C[NH2+][C@@H](C)C(=O)N(C)C)[nH]c1C ZINC000577964106 366148372 /nfs/dbraw/zinc/14/83/72/366148372.db2.gz YOXNMYAWBJWBRP-VIFPVBQESA-N 1 2 224.308 0.593 20 0 BCADLO Cc1[nH]c(CN[C@@H](C)C(=O)N(C)C)[nH+]c1C ZINC000577964106 366148379 /nfs/dbraw/zinc/14/83/79/366148379.db2.gz YOXNMYAWBJWBRP-VIFPVBQESA-N 1 2 224.308 0.593 20 0 BCADLO COc1nnccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000344614600 354326808 /nfs/dbraw/zinc/32/68/08/354326808.db2.gz LTKANWREFCGEEF-UHFFFAOYSA-N 1 2 248.246 0.530 20 0 BCADLO C[C@H](CF)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000639183367 354350493 /nfs/dbraw/zinc/35/04/93/354350493.db2.gz SHSSMVJAKAZJPL-ZCFIWIBFSA-N 1 2 236.268 0.375 20 0 BCADLO Cn1cnc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000178927530 366184058 /nfs/dbraw/zinc/18/40/58/366184058.db2.gz FNSBIHUALKDWAG-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO Cn1cnc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000179159801 366214253 /nfs/dbraw/zinc/21/42/53/366214253.db2.gz OKQAOQTWDOBWJQ-UHFFFAOYSA-N 1 2 234.303 0.340 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000334663862 354464187 /nfs/dbraw/zinc/46/41/87/354464187.db2.gz RRJFOWNJTDSMAI-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000334663862 354464190 /nfs/dbraw/zinc/46/41/90/354464190.db2.gz RRJFOWNJTDSMAI-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CCN1CC[N@H+](CC2CCC(=O)CC2)CC1=O ZINC000334800016 354555435 /nfs/dbraw/zinc/55/54/35/354555435.db2.gz QPQRSNDPRRBQEA-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCN1CC[N@@H+](CC2CCC(=O)CC2)CC1=O ZINC000334800016 354555437 /nfs/dbraw/zinc/55/54/37/354555437.db2.gz QPQRSNDPRRBQEA-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334803700 354559685 /nfs/dbraw/zinc/55/96/85/354559685.db2.gz LWUUKRCQAOLJFL-ZETCQYMHSA-N 1 2 226.198 0.911 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334803700 354559688 /nfs/dbraw/zinc/55/96/88/354559688.db2.gz LWUUKRCQAOLJFL-ZETCQYMHSA-N 1 2 226.198 0.911 20 0 BCADLO C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)C[C@@H]1F ZINC000335091005 354627204 /nfs/dbraw/zinc/62/72/04/354627204.db2.gz OFGHRLCOLCDLTN-KWQFWETISA-N 1 2 223.251 0.973 20 0 BCADLO c1[nH+]c(CN2CCO[C@H]3C[C@H]32)cc2c1OCCO2 ZINC000639201901 354606294 /nfs/dbraw/zinc/60/62/94/354606294.db2.gz OYOHKRDKMAJVAG-MNOVXSKESA-N 1 2 248.282 0.826 20 0 BCADLO CN1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335087875 354622736 /nfs/dbraw/zinc/62/27/36/354622736.db2.gz RPBXYZNKCLKEIY-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000113385764 354675279 /nfs/dbraw/zinc/67/52/79/354675279.db2.gz WREOYBPYFIBMDI-SECBINFHSA-N 1 2 233.271 0.855 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000345770149 354757104 /nfs/dbraw/zinc/75/71/04/354757104.db2.gz WCFZAHLTIMCOBM-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000345770149 354757106 /nfs/dbraw/zinc/75/71/06/354757106.db2.gz WCFZAHLTIMCOBM-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000345885787 354798064 /nfs/dbraw/zinc/79/80/64/354798064.db2.gz RGIPLXARRQZUHS-LPEHRKFASA-N 1 2 242.319 0.442 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCCO)C(=O)OC ZINC000232692257 363380267 /nfs/dbraw/zinc/38/02/67/363380267.db2.gz YMCOUEWMWPCSAA-DTWKUNHWSA-N 1 2 203.282 0.546 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000232859054 363387078 /nfs/dbraw/zinc/38/70/78/363387078.db2.gz AZZBXLVUDDFUNY-SECBINFHSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000232859054 363387081 /nfs/dbraw/zinc/38/70/81/363387081.db2.gz AZZBXLVUDDFUNY-SECBINFHSA-N 1 2 212.293 0.566 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000345954776 354820016 /nfs/dbraw/zinc/82/00/16/354820016.db2.gz KJHXFMRVFXWGOS-JTQLQIEISA-N 1 2 239.319 0.723 20 0 BCADLO C[C@@H](O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000345968553 354823128 /nfs/dbraw/zinc/82/31/28/354823128.db2.gz SCAHAWCPEXDOCK-SNVBAGLBSA-N 1 2 245.282 0.869 20 0 BCADLO CN(Cc1ccon1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000639214735 354826000 /nfs/dbraw/zinc/82/60/00/354826000.db2.gz RSHRKEWQSNMYCT-RYUDHWBXSA-N 1 2 237.303 0.580 20 0 BCADLO CN(Cc1ccon1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000639214735 354826002 /nfs/dbraw/zinc/82/60/02/354826002.db2.gz RSHRKEWQSNMYCT-RYUDHWBXSA-N 1 2 237.303 0.580 20 0 BCADLO C[N@H+](Cc1ccon1)[C@H]1CCN2CCO[C@H]1C2 ZINC000639214735 354826003 /nfs/dbraw/zinc/82/60/03/354826003.db2.gz RSHRKEWQSNMYCT-RYUDHWBXSA-N 1 2 237.303 0.580 20 0 BCADLO C[N@@H+](Cc1ccon1)[C@H]1CCN2CCO[C@H]1C2 ZINC000639214735 354826007 /nfs/dbraw/zinc/82/60/07/354826007.db2.gz RSHRKEWQSNMYCT-RYUDHWBXSA-N 1 2 237.303 0.580 20 0 BCADLO CN(Cc1ccon1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000639214734 354826142 /nfs/dbraw/zinc/82/61/42/354826142.db2.gz RSHRKEWQSNMYCT-NEPJUHHUSA-N 1 2 237.303 0.580 20 0 BCADLO CN(Cc1ccon1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000639214734 354826145 /nfs/dbraw/zinc/82/61/45/354826145.db2.gz RSHRKEWQSNMYCT-NEPJUHHUSA-N 1 2 237.303 0.580 20 0 BCADLO C[N@H+](Cc1ccon1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000639214734 354826148 /nfs/dbraw/zinc/82/61/48/354826148.db2.gz RSHRKEWQSNMYCT-NEPJUHHUSA-N 1 2 237.303 0.580 20 0 BCADLO C[N@@H+](Cc1ccon1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000639214734 354826151 /nfs/dbraw/zinc/82/61/51/354826151.db2.gz RSHRKEWQSNMYCT-NEPJUHHUSA-N 1 2 237.303 0.580 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233682373 363406104 /nfs/dbraw/zinc/40/61/04/363406104.db2.gz ZYEAUSYIGNHDDZ-LPEHRKFASA-N 1 2 231.292 0.284 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233682373 363406108 /nfs/dbraw/zinc/40/61/08/363406108.db2.gz ZYEAUSYIGNHDDZ-LPEHRKFASA-N 1 2 231.292 0.284 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc[nH]1 ZINC000346373225 354903037 /nfs/dbraw/zinc/90/30/37/354903037.db2.gz NMDROKCZWGULPH-UHFFFAOYSA-N 1 2 218.260 0.905 20 0 BCADLO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)ccn1 ZINC000346397982 354909829 /nfs/dbraw/zinc/90/98/29/354909829.db2.gz JIHFSJDNAZCAFH-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)ccn1 ZINC000346397982 354909831 /nfs/dbraw/zinc/90/98/31/354909831.db2.gz JIHFSJDNAZCAFH-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO CSCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000346409623 354913828 /nfs/dbraw/zinc/91/38/28/354913828.db2.gz YTEXMJPXOPMDMN-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOCC(F)F ZINC000346423044 354925164 /nfs/dbraw/zinc/92/51/64/354925164.db2.gz CFGSYWMMDXXCKZ-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOCC(F)F ZINC000346423044 354925169 /nfs/dbraw/zinc/92/51/69/354925169.db2.gz CFGSYWMMDXXCKZ-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO CC/C=C\CC[N@@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346517710 354973877 /nfs/dbraw/zinc/97/38/77/354973877.db2.gz ZPCJJPIIFGIYCG-WQMVXFAESA-N 1 2 226.320 0.917 20 0 BCADLO CC/C=C\CC[N@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346517710 354973883 /nfs/dbraw/zinc/97/38/83/354973883.db2.gz ZPCJJPIIFGIYCG-WQMVXFAESA-N 1 2 226.320 0.917 20 0 BCADLO O=C1CC[C@H]2C[N@H+](CCOCC(F)F)CCN12 ZINC000346573704 354975673 /nfs/dbraw/zinc/97/56/73/354975673.db2.gz PKWIYAIBMOGHIR-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](CCOCC(F)F)CCN12 ZINC000346573704 354975677 /nfs/dbraw/zinc/97/56/77/354975677.db2.gz PKWIYAIBMOGHIR-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO CCn1ncnc1C[NH2+]C1(CF)CCOCC1 ZINC000639225196 354988514 /nfs/dbraw/zinc/98/85/14/354988514.db2.gz GHXKKTZXRZXHJB-UHFFFAOYSA-N 1 2 242.298 0.906 20 0 BCADLO COC(=O)[C@]1([NH2+]CCC(C)(C)OC)CCOC1 ZINC000346576666 354998972 /nfs/dbraw/zinc/99/89/72/354998972.db2.gz SQXNFCOQRPHVSZ-LBPRGKRZSA-N 1 2 245.319 0.723 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335192515 355025315 /nfs/dbraw/zinc/02/53/15/355025315.db2.gz JGAXJLSCZJNRQV-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335192515 355025319 /nfs/dbraw/zinc/02/53/19/355025319.db2.gz JGAXJLSCZJNRQV-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1c[nH+]c[nH]1 ZINC000335228455 355070668 /nfs/dbraw/zinc/07/06/68/355070668.db2.gz JCBHXOJCINESHR-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1c[nH]c[nH+]1 ZINC000335228455 355070669 /nfs/dbraw/zinc/07/06/69/355070669.db2.gz JCBHXOJCINESHR-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000346859202 355118764 /nfs/dbraw/zinc/11/87/64/355118764.db2.gz WMRKUYCCMCFYOD-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCCO[C@@H](C)C1 ZINC000346859202 355118766 /nfs/dbraw/zinc/11/87/66/355118766.db2.gz WMRKUYCCMCFYOD-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO CC(C)OC[C@H](O)COCc1[nH]cc[nH+]1 ZINC000346712694 355102726 /nfs/dbraw/zinc/10/27/26/355102726.db2.gz BUIIUYXBTUEUOR-SECBINFHSA-N 1 2 214.265 0.712 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@@H](O)C1 ZINC000346842039 355134276 /nfs/dbraw/zinc/13/42/76/355134276.db2.gz VEZLBKBCVOHMAZ-RKDXNWHRSA-N 1 2 210.281 0.333 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@@H](O)C1 ZINC000346842039 355134279 /nfs/dbraw/zinc/13/42/79/355134279.db2.gz VEZLBKBCVOHMAZ-RKDXNWHRSA-N 1 2 210.281 0.333 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)nc1 ZINC000346961865 355170574 /nfs/dbraw/zinc/17/05/74/355170574.db2.gz ABUIXNIARYOIBP-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)nc1 ZINC000346961865 355170576 /nfs/dbraw/zinc/17/05/76/355170576.db2.gz ABUIXNIARYOIBP-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCn1cncn1 ZINC000346970661 355174921 /nfs/dbraw/zinc/17/49/21/355174921.db2.gz AJSKHGNXERDMSW-SECBINFHSA-N 1 2 226.280 0.162 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCn1cncn1 ZINC000346970661 355174922 /nfs/dbraw/zinc/17/49/22/355174922.db2.gz AJSKHGNXERDMSW-SECBINFHSA-N 1 2 226.280 0.162 20 0 BCADLO CCCCNC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348373858 535281321 /nfs/dbraw/zinc/28/13/21/535281321.db2.gz PPEAHGFVFIHHQL-UHFFFAOYSA-N 1 2 238.335 0.768 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348373858 535281327 /nfs/dbraw/zinc/28/13/27/535281327.db2.gz PPEAHGFVFIHHQL-UHFFFAOYSA-N 1 2 238.335 0.768 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H](CO)O1 ZINC000346991007 355190241 /nfs/dbraw/zinc/19/02/41/355190241.db2.gz SMVWCUDEVGIFCF-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H](CO)O1 ZINC000346991007 355190243 /nfs/dbraw/zinc/19/02/43/355190243.db2.gz SMVWCUDEVGIFCF-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCOC[C@H](C)C1 ZINC000346995279 355193500 /nfs/dbraw/zinc/19/35/00/355193500.db2.gz XCSRCOXAOYBKLZ-NXEZZACHSA-N 1 2 224.308 0.844 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCOC[C@H](C)C1 ZINC000346995279 355193501 /nfs/dbraw/zinc/19/35/01/355193501.db2.gz XCSRCOXAOYBKLZ-NXEZZACHSA-N 1 2 224.308 0.844 20 0 BCADLO CC[C@@H](C)[C@H](C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244476 355231411 /nfs/dbraw/zinc/23/14/11/355231411.db2.gz OIYYZPSWAYSKQM-KOLCDFICSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](F)CC[N@H+](C)Cc1nncn1C ZINC000347627789 355239993 /nfs/dbraw/zinc/23/99/93/355239993.db2.gz VCMPPELJZXMTGZ-QMMMGPOBSA-N 1 2 200.261 0.995 20 0 BCADLO C[C@H](F)CC[N@@H+](C)Cc1nncn1C ZINC000347627789 355239997 /nfs/dbraw/zinc/23/99/97/355239997.db2.gz VCMPPELJZXMTGZ-QMMMGPOBSA-N 1 2 200.261 0.995 20 0 BCADLO CCNC(=O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413026244 191343243 /nfs/dbraw/zinc/34/32/43/191343243.db2.gz IYSYHLPPHCDQRP-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO CCNC(=O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413026244 191343245 /nfs/dbraw/zinc/34/32/45/191343245.db2.gz IYSYHLPPHCDQRP-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO CC(=O)NCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413046923 191350197 /nfs/dbraw/zinc/35/01/97/191350197.db2.gz OVQCUODHUFRHEV-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CC(=O)NCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413046923 191350198 /nfs/dbraw/zinc/35/01/98/191350198.db2.gz OVQCUODHUFRHEV-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CS(=O)(=O)C1C[NH+](CCC[C@H]2CCO2)C1 ZINC000639245458 355270444 /nfs/dbraw/zinc/27/04/44/355270444.db2.gz YIJZUOOSSMMEGL-VIFPVBQESA-N 1 2 233.333 0.284 20 0 BCADLO COC[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000347643395 355272592 /nfs/dbraw/zinc/27/25/92/355272592.db2.gz ABJXRDAJWMRWOL-RKDXNWHRSA-N 1 2 248.273 0.525 20 0 BCADLO O=c1[nH]nc(CNc2cc(NC3CC3)[nH+]cn2)[nH]1 ZINC000413190109 191362636 /nfs/dbraw/zinc/36/26/36/191362636.db2.gz WXGQFMMOBHCQFS-UHFFFAOYSA-N 1 2 247.262 0.487 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413457884 191381198 /nfs/dbraw/zinc/38/11/98/191381198.db2.gz VVPSJRIAAWNLJA-VXNVDRBHSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413457884 191381201 /nfs/dbraw/zinc/38/12/01/191381201.db2.gz VVPSJRIAAWNLJA-VXNVDRBHSA-N 1 2 238.291 0.205 20 0 BCADLO CCn1ncnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000639252662 355289609 /nfs/dbraw/zinc/28/96/09/355289609.db2.gz OUJGNWJLZQOTPY-UHFFFAOYSA-N 1 2 224.308 0.501 20 0 BCADLO CCc1nn(C)cc1C[NH+]1CC(C)(O)C1 ZINC000639253419 355290826 /nfs/dbraw/zinc/29/08/26/355290826.db2.gz FUHUMGICKPKHRW-UHFFFAOYSA-N 1 2 209.293 0.549 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000432509148 491077672 /nfs/dbraw/zinc/07/76/72/491077672.db2.gz JGKUEFPPWZJWHS-MWLCHTKSSA-N 1 2 240.303 0.196 20 0 BCADLO CNC(=O)C1C[NH+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000639265701 355326094 /nfs/dbraw/zinc/32/60/94/355326094.db2.gz IZZKLTSVVHUKPK-LLVKDONJSA-N 1 2 248.330 0.549 20 0 BCADLO Cn1ncnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000639253011 355288014 /nfs/dbraw/zinc/28/80/14/355288014.db2.gz ZBCKEVOZEAMOJF-UHFFFAOYSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)S1=O ZINC000335753524 355392781 /nfs/dbraw/zinc/39/27/81/355392781.db2.gz KOCUGEANGAYJBB-UWVGGRQHSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@H](CC(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC000608392827 355423967 /nfs/dbraw/zinc/42/39/67/355423967.db2.gz XECDPNAZANNFAH-SECBINFHSA-N 1 2 238.291 0.043 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)NCc1[nH+]ccn1C ZINC000349734411 355425779 /nfs/dbraw/zinc/42/57/79/355425779.db2.gz LYYKPJVGHIQAKM-IUCAKERBSA-N 1 2 238.291 0.085 20 0 BCADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)O)CCC2 ZINC000335784588 355432837 /nfs/dbraw/zinc/43/28/37/355432837.db2.gz JXGFSMWCBIKCHO-NXEZZACHSA-N 1 2 237.303 0.566 20 0 BCADLO CCN1CCCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000335787114 355436967 /nfs/dbraw/zinc/43/69/67/355436967.db2.gz FRDLZYOAVFDNPY-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO Cc1nc2ccccn2c1C[N@H+](C)CC(N)=O ZINC000349854683 355497536 /nfs/dbraw/zinc/49/75/36/355497536.db2.gz PRUMBIOKLBUMLU-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1nc2ccccn2c1C[N@@H+](C)CC(N)=O ZINC000349854683 355497538 /nfs/dbraw/zinc/49/75/38/355497538.db2.gz PRUMBIOKLBUMLU-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335813520 355501283 /nfs/dbraw/zinc/50/12/83/355501283.db2.gz XMQBJBHNABLCMR-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335813520 355501286 /nfs/dbraw/zinc/50/12/86/355501286.db2.gz XMQBJBHNABLCMR-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)CCOC(C)C ZINC000349873968 355514573 /nfs/dbraw/zinc/51/45/73/355514573.db2.gz FIMOPVJFVISDHH-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)CCOC(C)C ZINC000349873968 355514575 /nfs/dbraw/zinc/51/45/75/355514575.db2.gz FIMOPVJFVISDHH-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CCc1nnc(C[N@H+](C)CCCCO)[nH]1 ZINC000349921296 355527704 /nfs/dbraw/zinc/52/77/04/355527704.db2.gz MJUOCVPCLAIMTM-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCCCO)[nH]1 ZINC000349921296 355527707 /nfs/dbraw/zinc/52/77/07/355527707.db2.gz MJUOCVPCLAIMTM-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO Cc1[nH]c(C(=O)NCCOCC(F)F)c[nH+]1 ZINC000350149323 355615600 /nfs/dbraw/zinc/61/56/00/355615600.db2.gz FFHWBSUXBGNCCC-UHFFFAOYSA-N 1 2 233.218 0.730 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000335839004 355568069 /nfs/dbraw/zinc/56/80/69/355568069.db2.gz FKWVLYJXRRMLGI-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000335839004 355568072 /nfs/dbraw/zinc/56/80/72/355568072.db2.gz FKWVLYJXRRMLGI-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@](C)(C[NH2+]Cc1nnc(COC)[nH]1)OC ZINC000639309450 355665762 /nfs/dbraw/zinc/66/57/62/355665762.db2.gz AVRXSWPWCXVJOG-LLVKDONJSA-N 1 2 242.323 0.856 20 0 BCADLO NC(=O)[C@@H]1COCC[N@@H+]1CCC1(O)CC1 ZINC000332021100 181204128 /nfs/dbraw/zinc/20/41/28/181204128.db2.gz VPDRIASOBLJADX-QMMMGPOBSA-N 1 2 214.265 0.137 20 0 BCADLO NC(=O)[C@@H]1COCC[N@H+]1CCC1(O)CC1 ZINC000332021100 181204130 /nfs/dbraw/zinc/20/41/30/181204130.db2.gz VPDRIASOBLJADX-QMMMGPOBSA-N 1 2 214.265 0.137 20 0 BCADLO CC[NH+](CC)Cc1nc([C@@H](C)NC(N)=O)no1 ZINC000350516002 355716042 /nfs/dbraw/zinc/71/60/42/355716042.db2.gz IKGJGPOVITYEOI-SSDOTTSWSA-N 1 2 241.295 0.641 20 0 BCADLO NC(=O)[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000330490406 181205427 /nfs/dbraw/zinc/20/54/27/181205427.db2.gz MECUGKGJIXOVAY-SECBINFHSA-N 1 2 241.316 0.922 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000330490406 181205428 /nfs/dbraw/zinc/20/54/28/181205428.db2.gz MECUGKGJIXOVAY-SECBINFHSA-N 1 2 241.316 0.922 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335884472 355675321 /nfs/dbraw/zinc/67/53/21/355675321.db2.gz LGXOJEAMKYGRDY-MRVPVSSYSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335884472 355675324 /nfs/dbraw/zinc/67/53/24/355675324.db2.gz LGXOJEAMKYGRDY-MRVPVSSYSA-N 1 2 237.303 0.717 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCCNC1=O ZINC000335885064 355675800 /nfs/dbraw/zinc/67/58/00/355675800.db2.gz FZXCECUSDLMDHZ-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO Cc1cnccc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639333751 355764052 /nfs/dbraw/zinc/76/40/52/355764052.db2.gz KYULTCINFLYZTB-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639333751 355764055 /nfs/dbraw/zinc/76/40/55/355764055.db2.gz KYULTCINFLYZTB-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022385 134056028 /nfs/dbraw/zinc/05/60/28/134056028.db2.gz PYEOQAFXVAUATG-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022385 134056029 /nfs/dbraw/zinc/05/60/29/134056029.db2.gz PYEOQAFXVAUATG-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1cc(C)on1 ZINC000639362557 355818132 /nfs/dbraw/zinc/81/81/32/355818132.db2.gz MNMVBUBSNQOIFA-SNVBAGLBSA-N 1 2 214.265 0.470 20 0 BCADLO N#Cc1cc(C[N@H+]2CCSC[C@@H]2CO)ccn1 ZINC000388594915 355844873 /nfs/dbraw/zinc/84/48/73/355844873.db2.gz IVZAOBNZBQPOIP-LBPRGKRZSA-N 1 2 249.339 0.863 20 0 BCADLO N#Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccn1 ZINC000388594915 355844876 /nfs/dbraw/zinc/84/48/76/355844876.db2.gz IVZAOBNZBQPOIP-LBPRGKRZSA-N 1 2 249.339 0.863 20 0 BCADLO COCc1cnc(C[NH+](CCO)CCO)s1 ZINC000628369750 355876775 /nfs/dbraw/zinc/87/67/75/355876775.db2.gz XVAVVPAUFSWJNW-UHFFFAOYSA-N 1 2 246.332 0.076 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000191774262 355848116 /nfs/dbraw/zinc/84/81/16/355848116.db2.gz RXZFBULASKILEL-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000191774262 355848117 /nfs/dbraw/zinc/84/81/17/355848117.db2.gz RXZFBULASKILEL-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO COc1cccc(C[C@H](C)[NH2+]Cc2c[nH]nn2)n1 ZINC000628363593 355849189 /nfs/dbraw/zinc/84/91/89/355849189.db2.gz PZJCQPRPHRAYQT-VIFPVBQESA-N 1 2 247.302 0.929 20 0 BCADLO COc1cccc(C[C@H](C)[NH2+]Cc2cn[nH]n2)n1 ZINC000628363593 355849191 /nfs/dbraw/zinc/84/91/91/355849191.db2.gz PZJCQPRPHRAYQT-VIFPVBQESA-N 1 2 247.302 0.929 20 0 BCADLO FCC1(CF)CC([NH2+]Cc2c[nH]nn2)C1 ZINC000628364392 355851686 /nfs/dbraw/zinc/85/16/86/355851686.db2.gz YGQVNMUJHVTBJW-UHFFFAOYSA-N 1 2 216.235 0.982 20 0 BCADLO FCC1(CF)CC([NH2+]Cc2cn[nH]n2)C1 ZINC000628364392 355851688 /nfs/dbraw/zinc/85/16/88/355851688.db2.gz YGQVNMUJHVTBJW-UHFFFAOYSA-N 1 2 216.235 0.982 20 0 BCADLO CCOC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623254479 355855085 /nfs/dbraw/zinc/85/50/85/355855085.db2.gz CUVWGTRMFJMLOQ-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO COCC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255830 355862101 /nfs/dbraw/zinc/86/21/01/355862101.db2.gz XHNFYDLOZVRFTM-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1(F)F ZINC000336023969 134065502 /nfs/dbraw/zinc/06/55/02/134065502.db2.gz BHZVAEHCRJQRMY-FSPLSTOPSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1(F)F ZINC000336023969 134065503 /nfs/dbraw/zinc/06/55/03/134065503.db2.gz BHZVAEHCRJQRMY-FSPLSTOPSA-N 1 2 215.203 0.927 20 0 BCADLO COCC1(C2CC2)C[NH+](Cc2cnnn2C)C1 ZINC000639379365 355913991 /nfs/dbraw/zinc/91/39/91/355913991.db2.gz IGHDUMKGCCAYOT-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO NC(=O)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000353774809 181218797 /nfs/dbraw/zinc/21/87/97/181218797.db2.gz CMVJSMOSUIIUPF-UHFFFAOYSA-N 1 2 244.254 0.891 20 0 BCADLO CC1([NH2+]Cc2cc3n(n2)CCC3)COC1 ZINC000639380641 355919192 /nfs/dbraw/zinc/91/91/92/355919192.db2.gz HNUFVVDDMSWDBY-UHFFFAOYSA-N 1 2 207.277 0.708 20 0 BCADLO CCN1CC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329537021 355928919 /nfs/dbraw/zinc/92/89/19/355928919.db2.gz BJIHFSBYWNRQPT-QMMMGPOBSA-N 1 2 248.286 0.551 20 0 BCADLO CCN1CC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329537021 355928923 /nfs/dbraw/zinc/92/89/23/355928923.db2.gz BJIHFSBYWNRQPT-QMMMGPOBSA-N 1 2 248.286 0.551 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256192 355935970 /nfs/dbraw/zinc/93/59/70/355935970.db2.gz AELJXTKDCAGELQ-MRVPVSSYSA-N 1 2 231.259 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](CC)OC)C1 ZINC000425507176 191894895 /nfs/dbraw/zinc/89/48/95/191894895.db2.gz DTLNBIWLNMKRSK-JTQLQIEISA-N 1 2 214.309 0.923 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](CC)OC)C1 ZINC000425507176 191894897 /nfs/dbraw/zinc/89/48/97/191894897.db2.gz DTLNBIWLNMKRSK-JTQLQIEISA-N 1 2 214.309 0.923 20 0 BCADLO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H](O)C(F)(F)F ZINC000639387026 355994148 /nfs/dbraw/zinc/99/41/48/355994148.db2.gz MNWYILVFCZVWGE-IYSWYEEDSA-N 1 2 238.213 0.216 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000336065037 134069936 /nfs/dbraw/zinc/06/99/36/134069936.db2.gz BCHFNYLGFAZEFT-MNOVXSKESA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000336065037 134069937 /nfs/dbraw/zinc/06/99/37/134069937.db2.gz BCHFNYLGFAZEFT-MNOVXSKESA-N 1 2 235.287 0.170 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000351522356 356007608 /nfs/dbraw/zinc/00/76/08/356007608.db2.gz XMNHFSLOMXWGOW-XCBNKYQSSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@](C)(O)C2)no1 ZINC000351522356 356007613 /nfs/dbraw/zinc/00/76/13/356007613.db2.gz XMNHFSLOMXWGOW-XCBNKYQSSA-N 1 2 211.265 0.896 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000351149908 355955047 /nfs/dbraw/zinc/95/50/47/355955047.db2.gz UWQHNJJWXUGLJJ-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000351149908 355955048 /nfs/dbraw/zinc/95/50/48/355955048.db2.gz UWQHNJJWXUGLJJ-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000351148518 355955133 /nfs/dbraw/zinc/95/51/33/355955133.db2.gz SOKMFKDCNHSZRW-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000351148518 355955134 /nfs/dbraw/zinc/95/51/34/355955134.db2.gz SOKMFKDCNHSZRW-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@](C)(CO)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256496 355960056 /nfs/dbraw/zinc/96/00/56/355960056.db2.gz MYIMOEPKNAEDOK-JOYOIKCWSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000351639393 356040440 /nfs/dbraw/zinc/04/04/40/356040440.db2.gz CYKFSRZQAKAEJD-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000351639393 356040442 /nfs/dbraw/zinc/04/04/42/356040442.db2.gz CYKFSRZQAKAEJD-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@@H](CO)COC(C)C)n1 ZINC000351644555 356042232 /nfs/dbraw/zinc/04/22/32/356042232.db2.gz AGMHKEYUUXADCZ-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO Cc1noc(C[N@H+](C)[C@@H](CO)COC(C)C)n1 ZINC000351644555 356042235 /nfs/dbraw/zinc/04/22/35/356042235.db2.gz AGMHKEYUUXADCZ-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)[C@H](C)O1 ZINC000351645740 356043449 /nfs/dbraw/zinc/04/34/49/356043449.db2.gz DWEVRAHYNGCKDD-UTLUCORTSA-N 1 2 224.308 0.813 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)[C@H](C)O1 ZINC000351645740 356043452 /nfs/dbraw/zinc/04/34/52/356043452.db2.gz DWEVRAHYNGCKDD-UTLUCORTSA-N 1 2 224.308 0.813 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304579156 181232373 /nfs/dbraw/zinc/23/23/73/181232373.db2.gz NVXCMIWYTQRYGA-MRVPVSSYSA-N 1 2 240.225 0.251 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304579156 181232376 /nfs/dbraw/zinc/23/23/76/181232376.db2.gz NVXCMIWYTQRYGA-MRVPVSSYSA-N 1 2 240.225 0.251 20 0 BCADLO NC(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000074448096 181232661 /nfs/dbraw/zinc/23/26/61/181232661.db2.gz XEMCGGVGVVFSST-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO NC(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000074448096 181232662 /nfs/dbraw/zinc/23/26/62/181232662.db2.gz XEMCGGVGVVFSST-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H]1C1CC1 ZINC000623257033 356025608 /nfs/dbraw/zinc/02/56/08/356025608.db2.gz AKWBHCSSSJUFGE-JLLWLGSASA-N 1 2 231.299 0.970 20 0 BCADLO C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260417 356120270 /nfs/dbraw/zinc/12/02/70/356120270.db2.gz CRLVVIALNHUCHM-SCVCMEIPSA-N 1 2 249.314 0.597 20 0 BCADLO CC1(C)C[NH+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000639393864 356075886 /nfs/dbraw/zinc/07/58/86/356075886.db2.gz VSDNSSOYBNZRAZ-UHFFFAOYSA-N 1 2 244.316 0.769 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000351795847 356080153 /nfs/dbraw/zinc/08/01/53/356080153.db2.gz QFHXQPWIZAVACL-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@H]2CCNC2=O)n1 ZINC000351795847 356080156 /nfs/dbraw/zinc/08/01/56/356080156.db2.gz QFHXQPWIZAVACL-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO O=C(COC(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623258712 356085890 /nfs/dbraw/zinc/08/58/90/356085890.db2.gz BUAKGGHBNKZOKL-ZCFIWIBFSA-N 1 2 231.202 0.163 20 0 BCADLO O=C(CCC(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259515 356089909 /nfs/dbraw/zinc/08/99/09/356089909.db2.gz BVHXRYJTNHBYBG-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO NC(=O)NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106871740 181252762 /nfs/dbraw/zinc/25/27/62/181252762.db2.gz IKLZGVCDCIGJIN-UHFFFAOYSA-N 1 2 235.234 0.301 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106871740 181252764 /nfs/dbraw/zinc/25/27/64/181252764.db2.gz IKLZGVCDCIGJIN-UHFFFAOYSA-N 1 2 235.234 0.301 20 0 BCADLO COC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623262026 356161689 /nfs/dbraw/zinc/16/16/89/356161689.db2.gz LLBZVQSFWRHSFR-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ncccc1O ZINC000623262226 356162451 /nfs/dbraw/zinc/16/24/51/356162451.db2.gz TVZRLNKIMBWGSV-MRVPVSSYSA-N 1 2 244.254 0.338 20 0 BCADLO COc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)on1 ZINC000623262175 356162876 /nfs/dbraw/zinc/16/28/76/356162876.db2.gz QXQGAJKUNZINEU-ZETCQYMHSA-N 1 2 248.242 0.234 20 0 BCADLO NC(=O)NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180271500 181254943 /nfs/dbraw/zinc/25/49/43/181254943.db2.gz ISZIQUSVXXXACJ-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO NC(=O)NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180271500 181254946 /nfs/dbraw/zinc/25/49/46/181254946.db2.gz ISZIQUSVXXXACJ-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO CCn1ccnc1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000584356150 356175256 /nfs/dbraw/zinc/17/52/56/356175256.db2.gz ANGHAUNRTHNICG-SNVBAGLBSA-N 1 2 247.302 0.977 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@@H]1CO ZINC000639399724 356131504 /nfs/dbraw/zinc/13/15/04/356131504.db2.gz ZFGOJIMJQPAINI-VIFPVBQESA-N 1 2 227.333 0.628 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@@H]1CO ZINC000639399724 356131506 /nfs/dbraw/zinc/13/15/06/356131506.db2.gz ZFGOJIMJQPAINI-VIFPVBQESA-N 1 2 227.333 0.628 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCSC[C@@H]1CO ZINC000639399724 356131507 /nfs/dbraw/zinc/13/15/07/356131507.db2.gz ZFGOJIMJQPAINI-VIFPVBQESA-N 1 2 227.333 0.628 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCSC[C@@H]1CO ZINC000639399724 356131509 /nfs/dbraw/zinc/13/15/09/356131509.db2.gz ZFGOJIMJQPAINI-VIFPVBQESA-N 1 2 227.333 0.628 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261329 356145232 /nfs/dbraw/zinc/14/52/32/356145232.db2.gz LDPIMVOLKCGSJJ-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623261565 356148746 /nfs/dbraw/zinc/14/87/46/356148746.db2.gz XHTFNRGVIUALKA-MWLCHTKSSA-N 1 2 237.303 0.595 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccncn1 ZINC000623261561 356149006 /nfs/dbraw/zinc/14/90/06/356149006.db2.gz XCMVEOBOBMEQHZ-QMMMGPOBSA-N 1 2 229.243 0.028 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305787828 192018735 /nfs/dbraw/zinc/01/87/35/192018735.db2.gz YWUPSRNKFUKXMX-RNFRBKRXSA-N 1 2 242.241 0.318 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305787828 192018738 /nfs/dbraw/zinc/01/87/38/192018738.db2.gz YWUPSRNKFUKXMX-RNFRBKRXSA-N 1 2 242.241 0.318 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CC(F)(F)C1 ZINC000623264646 356236611 /nfs/dbraw/zinc/23/66/11/356236611.db2.gz PVGIRZVLFLLKNZ-MRVPVSSYSA-N 1 2 241.241 0.969 20 0 BCADLO O=C1[C@@H]([NH+]2CCOCC2)CCN1C1CCC1 ZINC000639436293 356213465 /nfs/dbraw/zinc/21/34/65/356213465.db2.gz TUFZHKGLUXBHDA-NSHDSACASA-N 1 2 224.304 0.472 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435149 356214147 /nfs/dbraw/zinc/21/41/47/356214147.db2.gz XFHGUWAOXJZHNI-PWSUYJOCSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435149 356214150 /nfs/dbraw/zinc/21/41/50/356214150.db2.gz XFHGUWAOXJZHNI-PWSUYJOCSA-N 1 2 238.331 0.861 20 0 BCADLO CN1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639445743 356227059 /nfs/dbraw/zinc/22/70/59/356227059.db2.gz MUGBAIUYHPDNAG-LBPRGKRZSA-N 1 2 237.347 0.387 20 0 BCADLO Cn1cccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336102706 134083876 /nfs/dbraw/zinc/08/38/76/134083876.db2.gz LHBIQIRYVCFGLC-JTQLQIEISA-N 1 2 244.298 0.966 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623265007 356231071 /nfs/dbraw/zinc/23/10/71/356231071.db2.gz YTOGZUDPGWLLQP-WCQGTBRESA-N 1 2 249.314 0.882 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623265008 356231196 /nfs/dbraw/zinc/23/11/96/356231196.db2.gz YTOGZUDPGWLLQP-YUSALJHKSA-N 1 2 249.314 0.882 20 0 BCADLO COC[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264990 356231226 /nfs/dbraw/zinc/23/12/26/356231226.db2.gz YHMISZNJVMZNPG-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000336106097 134085112 /nfs/dbraw/zinc/08/51/12/134085112.db2.gz UBWLGRUPCCPLTF-MWLCHTKSSA-N 1 2 237.303 0.587 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263686 356201635 /nfs/dbraw/zinc/20/16/35/356201635.db2.gz UHKUUZSWPIEHCF-MWLCHTKSSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCCO1 ZINC000623263669 356201745 /nfs/dbraw/zinc/20/17/45/356201745.db2.gz TXGJSTGLSNVSNM-KOLCDFICSA-N 1 2 235.287 0.493 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000336106096 134085192 /nfs/dbraw/zinc/08/51/92/134085192.db2.gz UBWLGRUPCCPLTF-KOLCDFICSA-N 1 2 237.303 0.587 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@@H]1c1c[nH+]cn1C ZINC000639428431 356209449 /nfs/dbraw/zinc/20/94/49/356209449.db2.gz VAPKMLBMOZGSIB-VIFPVBQESA-N 1 2 222.292 0.649 20 0 BCADLO Cc1nnc(CCNc2cc[nH+]c(C)n2)n1C ZINC000189965327 356252031 /nfs/dbraw/zinc/25/20/31/356252031.db2.gz MPHGPLKZJLMJRL-UHFFFAOYSA-N 1 2 232.291 0.877 20 0 BCADLO NC(=O)N[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000270632183 181262039 /nfs/dbraw/zinc/26/20/39/181262039.db2.gz FXTLMPMXJMWFIP-VIFPVBQESA-N 1 2 247.302 0.601 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CN(C)C[C@@H]2C)[nH]1 ZINC000333509872 356295384 /nfs/dbraw/zinc/29/53/84/356295384.db2.gz DXYAFQFNIGMFMT-IUCAKERBSA-N 1 2 223.324 0.407 20 0 BCADLO O=C(CC1CCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265617 356299211 /nfs/dbraw/zinc/29/92/11/356299211.db2.gz JZIFKQMKUAXWQL-NSHDSACASA-N 1 2 249.314 0.741 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724984 356301529 /nfs/dbraw/zinc/30/15/29/356301529.db2.gz FPTNBGZBJILIJA-QCNOEVLYSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724984 356301532 /nfs/dbraw/zinc/30/15/32/356301532.db2.gz FPTNBGZBJILIJA-QCNOEVLYSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1Cc2cncn2C1 ZINC000623267187 356319031 /nfs/dbraw/zinc/31/90/31/356319031.db2.gz MGYHEHPIACZARN-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO CC[N@H+](Cc1cnc(C)nc1)[C@@H]1CCNC1=O ZINC000352408752 356340521 /nfs/dbraw/zinc/34/05/21/356340521.db2.gz WYEUZOHKVZUTNJ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cnc(C)nc1)[C@@H]1CCNC1=O ZINC000352408752 356340525 /nfs/dbraw/zinc/34/05/25/356340525.db2.gz WYEUZOHKVZUTNJ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000054638735 181266724 /nfs/dbraw/zinc/26/67/24/181266724.db2.gz GGHLKYYEORDCQY-GFCCVEGCSA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000054638735 181266725 /nfs/dbraw/zinc/26/67/25/181266725.db2.gz GGHLKYYEORDCQY-GFCCVEGCSA-N 1 2 247.298 0.035 20 0 BCADLO CC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000639532212 356381749 /nfs/dbraw/zinc/38/17/49/356381749.db2.gz DEMLEILGHLPQGS-QWRGUYRKSA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000639532212 356381750 /nfs/dbraw/zinc/38/17/50/356381750.db2.gz DEMLEILGHLPQGS-QWRGUYRKSA-N 1 2 247.360 0.863 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)n1cccn1 ZINC000623270656 356385584 /nfs/dbraw/zinc/38/55/84/356385584.db2.gz LLZNVMITKHPLSK-VHSXEESVSA-N 1 2 245.286 0.382 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000355943290 181272399 /nfs/dbraw/zinc/27/23/99/181272399.db2.gz QVMRGYQHRFDWFS-BIOMNHJASA-N 1 2 247.298 0.281 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000355943290 181272400 /nfs/dbraw/zinc/27/24/00/181272400.db2.gz QVMRGYQHRFDWFS-BIOMNHJASA-N 1 2 247.298 0.281 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccn1)Cc1cn[nH]c1 ZINC000639534423 356387173 /nfs/dbraw/zinc/38/71/73/356387173.db2.gz CERYBUXKHRECLH-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccn1)Cc1cn[nH]c1 ZINC000639534423 356387176 /nfs/dbraw/zinc/38/71/76/356387176.db2.gz CERYBUXKHRECLH-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n(C)n1 ZINC000623271624 356389288 /nfs/dbraw/zinc/38/92/88/356389288.db2.gz DIRJRCAPMYWNNL-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO Cc1cnn(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623271804 356390140 /nfs/dbraw/zinc/39/01/40/356390140.db2.gz IAFQSPIZAHOCTK-SNVBAGLBSA-N 1 2 245.286 0.129 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccccn1 ZINC000271552660 181272915 /nfs/dbraw/zinc/27/29/15/181272915.db2.gz LRIIIAWIAYLJBR-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1Cc1ccccn1 ZINC000271552660 181272916 /nfs/dbraw/zinc/27/29/16/181272916.db2.gz LRIIIAWIAYLJBR-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO CC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623276775 356417016 /nfs/dbraw/zinc/41/70/16/356417016.db2.gz KBJQWRRWZGOEHT-QMMMGPOBSA-N 1 2 207.277 0.970 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccon1 ZINC000368962920 181275056 /nfs/dbraw/zinc/27/50/56/181275056.db2.gz FSCRGACEWQAYSZ-LSJOCFKGSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccon1 ZINC000368962920 181275057 /nfs/dbraw/zinc/27/50/57/181275057.db2.gz FSCRGACEWQAYSZ-LSJOCFKGSA-N 1 2 235.287 0.760 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352815902 356422211 /nfs/dbraw/zinc/42/22/11/356422211.db2.gz LROVNAQIASLYGP-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352815902 356422214 /nfs/dbraw/zinc/42/22/14/356422214.db2.gz LROVNAQIASLYGP-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352815709 356422416 /nfs/dbraw/zinc/42/24/16/356422416.db2.gz LROVNAQIASLYGP-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352815709 356422419 /nfs/dbraw/zinc/42/24/19/356422419.db2.gz LROVNAQIASLYGP-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc[nH]1 ZINC000623278470 356426284 /nfs/dbraw/zinc/42/62/84/356426284.db2.gz XGBBWLILECRCJP-MRVPVSSYSA-N 1 2 216.244 0.566 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc[nH]1 ZINC000623278471 356426294 /nfs/dbraw/zinc/42/62/94/356426294.db2.gz XGBBWLILECRCJP-QMMMGPOBSA-N 1 2 216.244 0.566 20 0 BCADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1C ZINC000623278412 356427499 /nfs/dbraw/zinc/42/74/99/356427499.db2.gz VRDRVZOZBOMLRW-JTQLQIEISA-N 1 2 244.298 0.885 20 0 BCADLO CN(CC(=O)Nc1ccccn1)Cc1[nH]cc[nH+]1 ZINC000639550803 356428117 /nfs/dbraw/zinc/42/81/17/356428117.db2.gz ARKDUIPQJROKGX-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO CC(=O)CN1CCN(C)c2[nH+]cccc21 ZINC000639552372 356451180 /nfs/dbraw/zinc/45/11/80/356451180.db2.gz XERAWVCUJCHILZ-UHFFFAOYSA-N 1 2 205.261 0.927 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCc2ncnn21 ZINC000639551621 356436879 /nfs/dbraw/zinc/43/68/79/356436879.db2.gz PJQQBXKWYIUTRM-VIFPVBQESA-N 1 2 232.291 0.621 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCc2ncnn21 ZINC000639551621 356436881 /nfs/dbraw/zinc/43/68/81/356436881.db2.gz PJQQBXKWYIUTRM-VIFPVBQESA-N 1 2 232.291 0.621 20 0 BCADLO CC[N@H+](C[C@H](C)O)[C@@H](C)c1nnnn1C1CC1 ZINC000352222860 134109360 /nfs/dbraw/zinc/10/93/60/134109360.db2.gz SQBDBNZKOBMLNK-IUCAKERBSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1nnnn1C1CC1 ZINC000352222860 134109361 /nfs/dbraw/zinc/10/93/61/134109361.db2.gz SQBDBNZKOBMLNK-IUCAKERBSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@H+](C[C@@H](C)O)[C@H](C)c1nnnn1C1CC1 ZINC000352222861 134109575 /nfs/dbraw/zinc/10/95/75/134109575.db2.gz SQBDBNZKOBMLNK-RKDXNWHRSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1nnnn1C1CC1 ZINC000352222861 134109576 /nfs/dbraw/zinc/10/95/76/134109576.db2.gz SQBDBNZKOBMLNK-RKDXNWHRSA-N 1 2 239.323 0.772 20 0 BCADLO COCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000583666561 356489418 /nfs/dbraw/zinc/48/94/18/356489418.db2.gz FNQHTENULGNJQL-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccccn1 ZINC000623282122 356465525 /nfs/dbraw/zinc/46/55/25/356465525.db2.gz NDWAFZOJVGOWGN-SECBINFHSA-N 1 2 228.255 0.633 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623282435 356467741 /nfs/dbraw/zinc/46/77/41/356467741.db2.gz XVGLGARICPGOGU-SECBINFHSA-N 1 2 205.261 0.724 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000162054309 181279819 /nfs/dbraw/zinc/27/98/19/181279819.db2.gz LRTLWECPHAMMTP-LLVKDONJSA-N 1 2 238.287 0.612 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000162054309 181279820 /nfs/dbraw/zinc/27/98/20/181279820.db2.gz LRTLWECPHAMMTP-LLVKDONJSA-N 1 2 238.287 0.612 20 0 BCADLO NC(=O)[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000126938584 181283750 /nfs/dbraw/zinc/28/37/50/181283750.db2.gz WQHGUCSHIWGFNX-WXJAXGNASA-N 1 2 246.310 0.886 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000126938584 181283751 /nfs/dbraw/zinc/28/37/51/181283751.db2.gz WQHGUCSHIWGFNX-WXJAXGNASA-N 1 2 246.310 0.886 20 0 BCADLO CC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000639574362 356497136 /nfs/dbraw/zinc/49/71/36/356497136.db2.gz LAAOAAQPLKBAFZ-UHFFFAOYSA-N 1 2 222.292 0.563 20 0 BCADLO CC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000639574362 356497137 /nfs/dbraw/zinc/49/71/37/356497137.db2.gz LAAOAAQPLKBAFZ-UHFFFAOYSA-N 1 2 222.292 0.563 20 0 BCADLO COCCO[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000179351346 366247157 /nfs/dbraw/zinc/24/71/57/366247157.db2.gz WWVXCVKOHMHOPI-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000179351346 366247160 /nfs/dbraw/zinc/24/71/60/366247160.db2.gz WWVXCVKOHMHOPI-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000179360155 366247646 /nfs/dbraw/zinc/24/76/46/366247646.db2.gz SDIMRMLSPDOGBJ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000179360155 366247649 /nfs/dbraw/zinc/24/76/49/366247649.db2.gz SDIMRMLSPDOGBJ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@H]1C[N@H+](CC(C)=O)C[C@H](C)O1 ZINC000639604338 356524513 /nfs/dbraw/zinc/52/45/13/356524513.db2.gz NVUHDBGACTXCPG-VHSXEESVSA-N 1 2 201.266 0.311 20 0 BCADLO COC[C@H]1C[N@@H+](CC(C)=O)C[C@H](C)O1 ZINC000639604338 356524515 /nfs/dbraw/zinc/52/45/15/356524515.db2.gz NVUHDBGACTXCPG-VHSXEESVSA-N 1 2 201.266 0.311 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1COCCN1C ZINC000623711175 356525165 /nfs/dbraw/zinc/52/51/65/356525165.db2.gz WRFHYBRWXZSILM-LLVKDONJSA-N 1 2 224.308 0.138 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420946174 192275591 /nfs/dbraw/zinc/27/55/91/192275591.db2.gz UDEDUYRYKUTAHG-ZJUUUORDSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420946174 192275592 /nfs/dbraw/zinc/27/55/92/192275592.db2.gz UDEDUYRYKUTAHG-ZJUUUORDSA-N 1 2 245.319 0.410 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000639621358 356540972 /nfs/dbraw/zinc/54/09/72/356540972.db2.gz JTDONNIWGZBIPE-QWRGUYRKSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000639621358 356540975 /nfs/dbraw/zinc/54/09/75/356540975.db2.gz JTDONNIWGZBIPE-QWRGUYRKSA-N 1 2 213.277 0.455 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C2CC2)O1 ZINC000336191077 134123361 /nfs/dbraw/zinc/12/33/61/134123361.db2.gz KIHWEWAEJGFFGP-KOLCDFICSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C2CC2)O1 ZINC000336191077 134123362 /nfs/dbraw/zinc/12/33/62/134123362.db2.gz KIHWEWAEJGFFGP-KOLCDFICSA-N 1 2 226.320 0.574 20 0 BCADLO Oc1cccnc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000578119622 366276478 /nfs/dbraw/zinc/27/64/78/366276478.db2.gz ILITVZODRUPPOX-VIFPVBQESA-N 1 2 226.251 0.958 20 0 BCADLO Oc1cccnc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000578119622 366276480 /nfs/dbraw/zinc/27/64/80/366276480.db2.gz ILITVZODRUPPOX-VIFPVBQESA-N 1 2 226.251 0.958 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420987496 192292553 /nfs/dbraw/zinc/29/25/53/192292553.db2.gz PWRBLVOYWMIEMZ-LLVKDONJSA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420987496 192292555 /nfs/dbraw/zinc/29/25/55/192292555.db2.gz PWRBLVOYWMIEMZ-LLVKDONJSA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420987497 192292789 /nfs/dbraw/zinc/29/27/89/192292789.db2.gz PWRBLVOYWMIEMZ-NSHDSACASA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420987497 192292792 /nfs/dbraw/zinc/29/27/92/192292792.db2.gz PWRBLVOYWMIEMZ-NSHDSACASA-N 1 2 226.320 0.659 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297554 356549946 /nfs/dbraw/zinc/54/99/46/356549946.db2.gz HNYHAGRBHSTARE-KKZNHRDASA-N 1 2 219.288 0.970 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000336201514 134130940 /nfs/dbraw/zinc/13/09/40/134130940.db2.gz SYSIQJDPMOCAMI-JTQLQIEISA-N 1 2 201.241 0.886 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000336201514 134130941 /nfs/dbraw/zinc/13/09/41/134130941.db2.gz SYSIQJDPMOCAMI-JTQLQIEISA-N 1 2 201.241 0.886 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000623298952 356555551 /nfs/dbraw/zinc/55/55/51/356555551.db2.gz MSXATRIMMHARIU-SNVBAGLBSA-N 1 2 245.286 0.361 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H](O)C1CCC1 ZINC000623299274 356556131 /nfs/dbraw/zinc/55/61/31/356556131.db2.gz VCIGGBRTQOKGRE-JQWIXIFHSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299322 356556357 /nfs/dbraw/zinc/55/63/57/356556357.db2.gz WEDUYTZFGLOQAN-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421024186 192306089 /nfs/dbraw/zinc/30/60/89/192306089.db2.gz CEAZFHLMXMSSDV-JQWIXIFHSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421024186 192306091 /nfs/dbraw/zinc/30/60/91/192306091.db2.gz CEAZFHLMXMSSDV-JQWIXIFHSA-N 1 2 226.320 0.766 20 0 BCADLO C[N@H+](Cc1nc(CC2CC2)no1)C1(CO)CC1 ZINC000639644284 356557543 /nfs/dbraw/zinc/55/75/43/356557543.db2.gz XBCUAPJWPRPMCK-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO C[N@@H+](Cc1nc(CC2CC2)no1)C1(CO)CC1 ZINC000639644284 356557548 /nfs/dbraw/zinc/55/75/48/356557548.db2.gz XBCUAPJWPRPMCK-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO O=C(C[N@@H+]1CC[C@@]12CCOC2)NC1CCCC1 ZINC000421024057 192306622 /nfs/dbraw/zinc/30/66/22/192306622.db2.gz BXNMALONGFOUIO-ZDUSSCGKSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[N@H+]1CC[C@@]12CCOC2)NC1CCCC1 ZINC000421024057 192306624 /nfs/dbraw/zinc/30/66/24/192306624.db2.gz BXNMALONGFOUIO-ZDUSSCGKSA-N 1 2 238.331 0.910 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421024189 192306674 /nfs/dbraw/zinc/30/66/74/192306674.db2.gz CEAZFHLMXMSSDV-PWSUYJOCSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421024189 192306677 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/nfs/dbraw/zinc/49/00/15/363490015.db2.gz WASAGQRSKXJPCZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304461 356591487 /nfs/dbraw/zinc/59/14/87/356591487.db2.gz YXHNWOMZIGPZLC-GXSJLCMTSA-N 1 2 237.303 0.739 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1n[nH]c(=O)o1 ZINC000639674897 356591947 /nfs/dbraw/zinc/59/19/47/356591947.db2.gz CXBUIGZAJSHKOU-UHFFFAOYSA-N 1 2 235.247 0.240 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1n[nH]c(=O)o1 ZINC000639674897 356591950 /nfs/dbraw/zinc/59/19/50/356591950.db2.gz CXBUIGZAJSHKOU-UHFFFAOYSA-N 1 2 235.247 0.240 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000639667201 356574800 /nfs/dbraw/zinc/57/48/00/356574800.db2.gz CDKNLQUXELYDNL-JTQLQIEISA-N 1 2 227.308 0.311 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000639667201 356574805 /nfs/dbraw/zinc/57/48/05/356574805.db2.gz CDKNLQUXELYDNL-JTQLQIEISA-N 1 2 227.308 0.311 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccn[nH]1 ZINC000623301775 356577316 /nfs/dbraw/zinc/57/73/16/356577316.db2.gz SXJUCOZZGAZBLY-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CCO[C@H]2C)C1 ZINC000639664496 356578582 /nfs/dbraw/zinc/57/85/82/356578582.db2.gz RBHIJRDXTNKNBN-VHSXEESVSA-N 1 2 247.360 0.530 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000639666396 356581283 /nfs/dbraw/zinc/58/12/83/356581283.db2.gz QUPWSPAQYCVZAB-JGVFFNPUSA-N 1 2 225.210 0.821 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000639666396 356581287 /nfs/dbraw/zinc/58/12/87/356581287.db2.gz QUPWSPAQYCVZAB-JGVFFNPUSA-N 1 2 225.210 0.821 20 0 BCADLO Cn1cncc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302410 356582546 /nfs/dbraw/zinc/58/25/46/356582546.db2.gz GCNQFHGBAHQNHP-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302815 356583405 /nfs/dbraw/zinc/58/34/05/356583405.db2.gz POJSGLAXCHGXAI-IUCAKERBSA-N 1 2 223.276 0.349 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CO1 ZINC000623303020 356584558 /nfs/dbraw/zinc/58/45/58/356584558.db2.gz UNRDNJKUCZDZJX-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000162786127 202065031 /nfs/dbraw/zinc/06/50/31/202065031.db2.gz JTBXWGFIYRIQNZ-DTWKUNHWSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000162786127 202065034 /nfs/dbraw/zinc/06/50/34/202065034.db2.gz JTBXWGFIYRIQNZ-DTWKUNHWSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC000623307604 356612018 /nfs/dbraw/zinc/61/20/18/356612018.db2.gz KFTPWOYLIIHWJG-ZWNOBZJWSA-N 1 2 249.314 0.883 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305165 356599496 /nfs/dbraw/zinc/59/94/96/356599496.db2.gz MUKDIDNKKALSCZ-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1[C@H](C)N(Cc2c[nH+]c[nH]2)[C@@H](C)C(=O)N1C ZINC000639691513 356605788 /nfs/dbraw/zinc/60/57/88/356605788.db2.gz UQMHXDVSGVMZDJ-UTLUCORTSA-N 1 2 236.319 0.849 20 0 BCADLO CC[C@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000379850730 538461045 /nfs/dbraw/zinc/46/10/45/538461045.db2.gz AMHLZMLCMZQEHX-SNVBAGLBSA-N 1 2 211.265 0.160 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(CO)ccn1 ZINC000630093141 363521929 /nfs/dbraw/zinc/52/19/29/363521929.db2.gz IVAQIWQRWUBOTE-NSHDSACASA-N 1 2 237.303 0.316 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cc(CO)ccn1 ZINC000630093141 363521933 /nfs/dbraw/zinc/52/19/33/363521933.db2.gz IVAQIWQRWUBOTE-NSHDSACASA-N 1 2 237.303 0.316 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@H](O)C(F)(F)C2)c1 ZINC000630095045 363544654 /nfs/dbraw/zinc/54/46/54/363544654.db2.gz QJFQISNINJEKBJ-SECBINFHSA-N 1 2 244.241 0.780 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639746364 356639139 /nfs/dbraw/zinc/63/91/39/356639139.db2.gz FASYPOIWIOOSSF-NXEZZACHSA-N 1 2 227.352 0.522 20 0 BCADLO CCc1cc(N2CCCC[NH2+]2)n2ncnc2n1 ZINC000346114077 538473969 /nfs/dbraw/zinc/47/39/69/538473969.db2.gz GQEWQKWRFSSHNN-UHFFFAOYSA-N 1 2 232.291 0.792 20 0 BCADLO CNc1nc(NC[C@H](C)CO)[nH+]c2ccccc21 ZINC000450272115 202116280 /nfs/dbraw/zinc/11/62/80/202116280.db2.gz AEYDNRXMATZAKT-VIFPVBQESA-N 1 2 246.314 0.556 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(CO)CC2)[nH]1 ZINC000353032522 356652840 /nfs/dbraw/zinc/65/28/40/356652840.db2.gz XBYOVURZRSKLQW-UHFFFAOYSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(CO)CC2)[nH]1 ZINC000353032522 356652843 /nfs/dbraw/zinc/65/28/43/356652843.db2.gz XBYOVURZRSKLQW-UHFFFAOYSA-N 1 2 210.281 0.324 20 0 BCADLO CC(C)[N@@H+]1CCCN(Cc2cnn[nH]2)CC1 ZINC000450350655 202140847 /nfs/dbraw/zinc/14/08/47/202140847.db2.gz RDSZDOBXQARISB-UHFFFAOYSA-N 1 2 223.324 0.721 20 0 BCADLO CC(C)[N@H+]1CCCN(Cc2cnn[nH]2)CC1 ZINC000450350655 202140849 /nfs/dbraw/zinc/14/08/49/202140849.db2.gz RDSZDOBXQARISB-UHFFFAOYSA-N 1 2 223.324 0.721 20 0 BCADLO CC(C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054027238 363559104 /nfs/dbraw/zinc/55/91/04/363559104.db2.gz ZXDOUNSHYUYUNL-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000450372930 202144776 /nfs/dbraw/zinc/14/47/76/202144776.db2.gz BGYREDIWZQVJQV-LSYCYVAJSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000450372930 202144778 /nfs/dbraw/zinc/14/47/78/202144778.db2.gz BGYREDIWZQVJQV-LSYCYVAJSA-N 1 2 246.376 0.306 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)C[C@H](C)O1 ZINC000450384790 202148714 /nfs/dbraw/zinc/14/87/14/202148714.db2.gz BVSAUIBFCHLWRL-GARJFASQSA-N 1 2 249.376 0.919 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)C[C@H](C)O1 ZINC000450384790 202148717 /nfs/dbraw/zinc/14/87/17/202148717.db2.gz BVSAUIBFCHLWRL-GARJFASQSA-N 1 2 249.376 0.919 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000054172577 363563928 /nfs/dbraw/zinc/56/39/28/363563928.db2.gz VMWKCRDRNLEBTO-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000054172577 363563932 /nfs/dbraw/zinc/56/39/32/363563932.db2.gz VMWKCRDRNLEBTO-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000450429918 202155234 /nfs/dbraw/zinc/15/52/34/202155234.db2.gz OBBFNDOLMYMBGV-BFVZDQMLSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000450429918 202155237 /nfs/dbraw/zinc/15/52/37/202155237.db2.gz OBBFNDOLMYMBGV-BFVZDQMLSA-N 1 2 219.350 0.600 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172098 363563358 /nfs/dbraw/zinc/56/33/58/363563358.db2.gz CACBEDUCAPDBEV-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172098 363563363 /nfs/dbraw/zinc/56/33/63/363563363.db2.gz CACBEDUCAPDBEV-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172210 363564347 /nfs/dbraw/zinc/56/43/47/363564347.db2.gz YCBZEAFEKLPYCT-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000054172210 363564349 /nfs/dbraw/zinc/56/43/49/363564349.db2.gz YCBZEAFEKLPYCT-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO COCCCC(=O)NCCc1c[nH+]cn1C ZINC000542480650 325030244 /nfs/dbraw/zinc/03/02/44/325030244.db2.gz JFVDVRRMOHPWAG-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000353456772 134163741 /nfs/dbraw/zinc/16/37/41/134163741.db2.gz DKXKNFBMBXBGKN-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000354862092 356745123 /nfs/dbraw/zinc/74/51/23/356745123.db2.gz WTTHUTIVOQERFN-SECBINFHSA-N 1 2 223.324 0.503 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000354862092 356745125 /nfs/dbraw/zinc/74/51/25/356745125.db2.gz WTTHUTIVOQERFN-SECBINFHSA-N 1 2 223.324 0.503 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000354854320 356745477 /nfs/dbraw/zinc/74/54/77/356745477.db2.gz PDSPSMFFLGFISV-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000354854320 356745479 /nfs/dbraw/zinc/74/54/79/356745479.db2.gz PDSPSMFFLGFISV-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000355050454 356748235 /nfs/dbraw/zinc/74/82/35/356748235.db2.gz MFCVHEJNDWOIIW-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000355050454 356748240 /nfs/dbraw/zinc/74/82/40/356748240.db2.gz MFCVHEJNDWOIIW-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000355050451 356748813 /nfs/dbraw/zinc/74/88/13/356748813.db2.gz MFCVHEJNDWOIIW-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000355050451 356748814 /nfs/dbraw/zinc/74/88/14/356748814.db2.gz MFCVHEJNDWOIIW-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)NCC1CC1 ZINC000054343294 363566603 /nfs/dbraw/zinc/56/66/03/363566603.db2.gz MNLUKKLXCMNCMW-VXGBXAGGSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)NCC1CC1 ZINC000054343294 363566608 /nfs/dbraw/zinc/56/66/08/363566608.db2.gz MNLUKKLXCMNCMW-VXGBXAGGSA-N 1 2 238.331 0.766 20 0 BCADLO CNc1nc(NC[C@@H](C)OC)[nH+]c2ccccc21 ZINC000450468766 202174615 /nfs/dbraw/zinc/17/46/15/202174615.db2.gz MXMMSQZKCDZLBZ-SECBINFHSA-N 1 2 246.314 0.962 20 0 BCADLO CCn1nccc1NC(=O)NCc1c[nH+]cn1C ZINC000350602015 538679872 /nfs/dbraw/zinc/67/98/72/538679872.db2.gz VJUZFZQKOVXCEX-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO CCC(F)(F)C[NH2+]C1(C(N)=O)CCOCC1 ZINC000639815486 356794835 /nfs/dbraw/zinc/79/48/35/356794835.db2.gz ZBFLNIIVEJSPFZ-UHFFFAOYSA-N 1 2 236.262 0.656 20 0 BCADLO COC(=O)C[N@H+](CC[C@H](C)O)C1CC1 ZINC000450472111 202177503 /nfs/dbraw/zinc/17/75/03/202177503.db2.gz DTIFKHMYLZIXSO-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO COC(=O)C[N@@H+](CC[C@H](C)O)C1CC1 ZINC000450472111 202177506 /nfs/dbraw/zinc/17/75/06/202177506.db2.gz DTIFKHMYLZIXSO-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CCCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623362591 356810297 /nfs/dbraw/zinc/81/02/97/356810297.db2.gz ZYAFYCVYFZHOHZ-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CCCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623362591 356810300 /nfs/dbraw/zinc/81/03/00/356810300.db2.gz ZYAFYCVYFZHOHZ-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623362515 356810481 /nfs/dbraw/zinc/81/04/81/356810481.db2.gz WWYKQBRZXVNZGP-VHSXEESVSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623362515 356810483 /nfs/dbraw/zinc/81/04/83/356810483.db2.gz WWYKQBRZXVNZGP-VHSXEESVSA-N 1 2 229.324 0.415 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000639832819 356816161 /nfs/dbraw/zinc/81/61/61/356816161.db2.gz DGDKTAGYWWCNQK-JTQLQIEISA-N 1 2 203.282 0.716 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000639832819 356816166 /nfs/dbraw/zinc/81/61/66/356816166.db2.gz DGDKTAGYWWCNQK-JTQLQIEISA-N 1 2 203.282 0.716 20 0 BCADLO CO[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000639833711 356820243 /nfs/dbraw/zinc/82/02/43/356820243.db2.gz QXMTUDFENUAJLR-SNVBAGLBSA-N 1 2 211.265 0.188 20 0 BCADLO CO[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000639833711 356820246 /nfs/dbraw/zinc/82/02/46/356820246.db2.gz QXMTUDFENUAJLR-SNVBAGLBSA-N 1 2 211.265 0.188 20 0 BCADLO CO[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000639833806 356820477 /nfs/dbraw/zinc/82/04/77/356820477.db2.gz LXGRBMOIPLAPFQ-SNVBAGLBSA-N 1 2 211.265 0.188 20 0 BCADLO CO[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000639837135 356822559 /nfs/dbraw/zinc/82/25/59/356822559.db2.gz LNIOAGGNBGWUBQ-RYUDHWBXSA-N 1 2 245.319 0.834 20 0 BCADLO CO[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000639837135 356822562 /nfs/dbraw/zinc/82/25/62/356822562.db2.gz LNIOAGGNBGWUBQ-RYUDHWBXSA-N 1 2 245.319 0.834 20 0 BCADLO CO[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000639836790 356823922 /nfs/dbraw/zinc/82/39/22/356823922.db2.gz JMALAZNMAXRCLD-JTQLQIEISA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000639834804 356824436 /nfs/dbraw/zinc/82/44/36/356824436.db2.gz CWTXPEYMFATUTE-DTWKUNHWSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000639834804 356824439 /nfs/dbraw/zinc/82/44/39/356824439.db2.gz CWTXPEYMFATUTE-DTWKUNHWSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000639835194 356825519 /nfs/dbraw/zinc/82/55/19/356825519.db2.gz BMXMPLZGEMSGID-RYUDHWBXSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000639835194 356825522 /nfs/dbraw/zinc/82/55/22/356825522.db2.gz BMXMPLZGEMSGID-RYUDHWBXSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000639835151 356825614 /nfs/dbraw/zinc/82/56/14/356825614.db2.gz BHEYWVNMHJQMMX-VIFPVBQESA-N 1 2 225.235 0.573 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000639835151 356825616 /nfs/dbraw/zinc/82/56/16/356825616.db2.gz BHEYWVNMHJQMMX-VIFPVBQESA-N 1 2 225.235 0.573 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000639835992 356825990 /nfs/dbraw/zinc/82/59/90/356825990.db2.gz YSUVCDRMLQYLNU-UWVGGRQHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000639835992 356825995 /nfs/dbraw/zinc/82/59/95/356825995.db2.gz YSUVCDRMLQYLNU-UWVGGRQHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)CCOC(C)C)CCO1 ZINC000639837927 356827627 /nfs/dbraw/zinc/82/76/27/356827627.db2.gz ODAWCWWWMLKCGY-RYUDHWBXSA-N 1 2 247.335 0.467 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CCOC(C)C)CCO1 ZINC000639837927 356827630 /nfs/dbraw/zinc/82/76/30/356827630.db2.gz ODAWCWWWMLKCGY-RYUDHWBXSA-N 1 2 247.335 0.467 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000639838437 356829315 /nfs/dbraw/zinc/82/93/15/356829315.db2.gz PVRPIWPTBQRUHW-YUMQZZPRSA-N 1 2 243.225 0.604 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000639838437 356829317 /nfs/dbraw/zinc/82/93/17/356829317.db2.gz PVRPIWPTBQRUHW-YUMQZZPRSA-N 1 2 243.225 0.604 20 0 BCADLO CO[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000639838455 356829344 /nfs/dbraw/zinc/82/93/44/356829344.db2.gz QBBDRINXFKFKDH-RYUDHWBXSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000639838455 356829345 /nfs/dbraw/zinc/82/93/45/356829345.db2.gz QBBDRINXFKFKDH-RYUDHWBXSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CCO1 ZINC000639837621 356830517 /nfs/dbraw/zinc/83/05/17/356830517.db2.gz NIXHAWNQIDPCIQ-VXGBXAGGSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CCO1 ZINC000639837621 356830520 /nfs/dbraw/zinc/83/05/20/356830520.db2.gz NIXHAWNQIDPCIQ-VXGBXAGGSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@H+]([C@H](C)CN2CCOCC2)CCO1 ZINC000639837621 356830521 /nfs/dbraw/zinc/83/05/21/356830521.db2.gz NIXHAWNQIDPCIQ-VXGBXAGGSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000639840120 356831721 /nfs/dbraw/zinc/83/17/21/356831721.db2.gz WAISSIKXGCUMKL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000639840120 356831725 /nfs/dbraw/zinc/83/17/25/356831725.db2.gz WAISSIKXGCUMKL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO COCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352886960 538728614 /nfs/dbraw/zinc/72/86/14/538728614.db2.gz XWHOGPMGALXLTJ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO COCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352886960 538728620 /nfs/dbraw/zinc/72/86/20/538728620.db2.gz XWHOGPMGALXLTJ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054347013 363569201 /nfs/dbraw/zinc/56/92/01/363569201.db2.gz BLKOXMYLBXPWJA-WDEREUQCSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054347013 363569206 /nfs/dbraw/zinc/56/92/06/363569206.db2.gz BLKOXMYLBXPWJA-WDEREUQCSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]([C@H](C)O)[NH+]1CC(OCC(F)F)C1 ZINC000353017488 538732204 /nfs/dbraw/zinc/73/22/04/538732204.db2.gz XKJAUGDKZSGLSI-RQJHMYQMSA-N 1 2 209.236 0.722 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc[nH]1 ZINC000352051193 538711636 /nfs/dbraw/zinc/71/16/36/538711636.db2.gz AJRMBSYBBFIWEA-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc[nH]1 ZINC000352051193 538711643 /nfs/dbraw/zinc/71/16/43/538711643.db2.gz AJRMBSYBBFIWEA-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CC1 ZINC000623383943 356909251 /nfs/dbraw/zinc/90/92/51/356909251.db2.gz IJTFZWIKRRSCBU-SNVBAGLBSA-N 1 2 227.308 0.026 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CC1 ZINC000623383943 356909254 /nfs/dbraw/zinc/90/92/54/356909254.db2.gz IJTFZWIKRRSCBU-SNVBAGLBSA-N 1 2 227.308 0.026 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CCN1Cc1c[nH+]c[nH]1 ZINC000361332443 356927729 /nfs/dbraw/zinc/92/77/29/356927729.db2.gz SHXSCIJGOIYTPN-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CCN1Cc1c[nH]c[nH+]1 ZINC000361332443 356927730 /nfs/dbraw/zinc/92/77/30/356927730.db2.gz SHXSCIJGOIYTPN-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)C[C@H](C)OC ZINC000361574457 356933852 /nfs/dbraw/zinc/93/38/52/356933852.db2.gz WZLJMZYHWFXPJH-VIFPVBQESA-N 1 2 226.324 0.980 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)C[C@H](C)OC ZINC000361574457 356933855 /nfs/dbraw/zinc/93/38/55/356933855.db2.gz WZLJMZYHWFXPJH-VIFPVBQESA-N 1 2 226.324 0.980 20 0 BCADLO CCn1ncnc1C[N@H+](CC)[C@H]1CCOC1 ZINC000361587908 356934395 /nfs/dbraw/zinc/93/43/95/356934395.db2.gz LCJSYPKWMWRNPE-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)[C@H]1CCOC1 ZINC000361587908 356934397 /nfs/dbraw/zinc/93/43/97/356934397.db2.gz LCJSYPKWMWRNPE-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639866408 356980893 /nfs/dbraw/zinc/98/08/93/356980893.db2.gz JCINNPZXXFOVNK-LLVKDONJSA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639866408 356980895 /nfs/dbraw/zinc/98/08/95/356980895.db2.gz JCINNPZXXFOVNK-LLVKDONJSA-N 1 2 244.302 0.974 20 0 BCADLO COCCCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639867164 356989615 /nfs/dbraw/zinc/98/96/15/356989615.db2.gz KTPIQQCJJCNRNR-LLVKDONJSA-N 1 2 216.325 0.021 20 0 BCADLO COCCCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639867164 356989619 /nfs/dbraw/zinc/98/96/19/356989619.db2.gz KTPIQQCJJCNRNR-LLVKDONJSA-N 1 2 216.325 0.021 20 0 BCADLO CCc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000369976753 357002183 /nfs/dbraw/zinc/00/21/83/357002183.db2.gz WXKVXBXOUBGRME-VIFPVBQESA-N 1 2 224.308 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000369976753 357002187 /nfs/dbraw/zinc/00/21/87/357002187.db2.gz WXKVXBXOUBGRME-VIFPVBQESA-N 1 2 224.308 0.835 20 0 BCADLO C/C=C/CNC(=O)NCC[NH+]1CCOCC1 ZINC000623393837 357004791 /nfs/dbraw/zinc/00/47/91/357004791.db2.gz QMNUCMUZCHQPJJ-NSCUHMNNSA-N 1 2 227.308 0.194 20 0 BCADLO CNC(=O)CC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000390586089 357102237 /nfs/dbraw/zinc/10/22/37/357102237.db2.gz YEZRTIBAIDFBOJ-LLVKDONJSA-N 1 2 228.292 0.054 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000355249041 538792138 /nfs/dbraw/zinc/79/21/38/538792138.db2.gz BCGFWRWZPVTPIE-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H](CO)CNc1[nH+]cnc2c1cnn2C ZINC000053583985 357066068 /nfs/dbraw/zinc/06/60/68/357066068.db2.gz VVCPCDYHTQTWGQ-ZETCQYMHSA-N 1 2 221.264 0.404 20 0 BCADLO C[C@H](CO)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000355437863 538795738 /nfs/dbraw/zinc/79/57/38/538795738.db2.gz YHPKPEUVVJYBLQ-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@H](CO)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000355437863 538795746 /nfs/dbraw/zinc/79/57/46/538795746.db2.gz YHPKPEUVVJYBLQ-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO CC[N@H+](Cc1nc(C2CC2)nn1C)[C@H](C)CO ZINC000582357483 357100835 /nfs/dbraw/zinc/10/08/35/357100835.db2.gz YGBCFJWADLQDDO-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO CC[N@@H+](Cc1nc(C2CC2)nn1C)[C@H](C)CO ZINC000582357483 357100838 /nfs/dbraw/zinc/10/08/38/357100838.db2.gz YGBCFJWADLQDDO-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374701942 357166653 /nfs/dbraw/zinc/16/66/53/357166653.db2.gz QNSVATPGINSMQD-SNVBAGLBSA-N 1 2 209.293 0.778 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374701942 357166657 /nfs/dbraw/zinc/16/66/57/357166657.db2.gz QNSVATPGINSMQD-SNVBAGLBSA-N 1 2 209.293 0.778 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccco1 ZINC000041392459 357128925 /nfs/dbraw/zinc/12/89/25/357128925.db2.gz ZMVPUDCXRMNTMO-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccco1 ZINC000041392459 357128929 /nfs/dbraw/zinc/12/89/29/357128929.db2.gz ZMVPUDCXRMNTMO-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000356754701 538815565 /nfs/dbraw/zinc/81/55/65/538815565.db2.gz MIKNDUQYHOSPTN-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC1(O)CCCC1 ZINC000356774898 538815578 /nfs/dbraw/zinc/81/55/78/538815578.db2.gz HNCWYHWBWFGEEV-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)nn1C ZINC000356773995 538816220 /nfs/dbraw/zinc/81/62/20/538816220.db2.gz XWAPSGSTTXJUFT-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C(=O)c1ccccc1 ZINC000356798924 538817287 /nfs/dbraw/zinc/81/72/87/538817287.db2.gz GTAPXLGJVNFUIH-UHFFFAOYSA-N 1 2 243.266 0.919 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000024941662 357183098 /nfs/dbraw/zinc/18/30/98/357183098.db2.gz KTNDEUXDZCRMBB-UHFFFAOYSA-N 1 2 214.215 0.882 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000024941662 357183102 /nfs/dbraw/zinc/18/31/02/357183102.db2.gz KTNDEUXDZCRMBB-UHFFFAOYSA-N 1 2 214.215 0.882 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356523993 538810829 /nfs/dbraw/zinc/81/08/29/538810829.db2.gz XPBYRUSYNBZXJC-MRVPVSSYSA-N 1 2 223.276 0.826 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356523993 538810840 /nfs/dbraw/zinc/81/08/40/538810840.db2.gz XPBYRUSYNBZXJC-MRVPVSSYSA-N 1 2 223.276 0.826 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2csnn2)C1=O ZINC000393615150 357290129 /nfs/dbraw/zinc/29/01/29/357290129.db2.gz WZLPIDFEFIIYOJ-MRVPVSSYSA-N 1 2 226.305 0.249 20 0 BCADLO Cc1cnn(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000054852449 363580606 /nfs/dbraw/zinc/58/06/06/363580606.db2.gz LERREWWOQPJMNF-UHFFFAOYSA-N 1 2 247.302 0.595 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000393774552 357298617 /nfs/dbraw/zinc/29/86/17/357298617.db2.gz LLGXQYPVPRYGAJ-LLVKDONJSA-N 1 2 225.292 0.406 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCOCC1CC1 ZINC000356801739 538818195 /nfs/dbraw/zinc/81/81/95/538818195.db2.gz LKZRRMUKFZTRNV-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000639900126 357312001 /nfs/dbraw/zinc/31/20/01/357312001.db2.gz PXOBWGVNIZICCP-PHIMTYICSA-N 1 2 247.298 0.922 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394014893 357315025 /nfs/dbraw/zinc/31/50/25/357315025.db2.gz IOVQEMUADQJENZ-SECBINFHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)no1 ZINC000582479301 357316069 /nfs/dbraw/zinc/31/60/69/357316069.db2.gz GEXQHZZFKLRKJQ-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)no1 ZINC000582479301 357316074 /nfs/dbraw/zinc/31/60/74/357316074.db2.gz GEXQHZZFKLRKJQ-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ncccc2O)C1=O ZINC000582513936 357323459 /nfs/dbraw/zinc/32/34/59/357323459.db2.gz SUCXWTBKDFLXGF-SNVBAGLBSA-N 1 2 235.287 0.450 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ncccc2O)C1=O ZINC000582513932 357323868 /nfs/dbraw/zinc/32/38/68/357323868.db2.gz SUCXWTBKDFLXGF-JTQLQIEISA-N 1 2 235.287 0.450 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc(C(N)=O)cn1 ZINC000357595868 538830806 /nfs/dbraw/zinc/83/08/06/538830806.db2.gz NEADEVLVPIMXII-UHFFFAOYSA-N 1 2 231.259 0.526 20 0 BCADLO COCCCCNC(=O)NCc1c[nH+]cn1C ZINC000357672545 538831556 /nfs/dbraw/zinc/83/15/56/538831556.db2.gz CBNAAQPZJZBIQU-UHFFFAOYSA-N 1 2 240.307 0.646 20 0 BCADLO CCn1ccnc(NCc2c[nH+]cn2C)c1=O ZINC000357608298 538831970 /nfs/dbraw/zinc/83/19/70/538831970.db2.gz QXUAHBXQOZSFOT-UHFFFAOYSA-N 1 2 233.275 0.031 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000582613830 357353203 /nfs/dbraw/zinc/35/32/03/357353203.db2.gz HPTTUYCCENVRMN-LLVKDONJSA-N 1 2 242.363 0.851 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000582613835 357353218 /nfs/dbraw/zinc/35/32/18/357353218.db2.gz HPTTUYCCENVRMN-NSHDSACASA-N 1 2 242.363 0.851 20 0 BCADLO Cc1c(C[N@H+](C)Cc2cnnn2C)cnn1C ZINC000582634922 357355937 /nfs/dbraw/zinc/35/59/37/357355937.db2.gz MAOQLQQJAZMXRS-UHFFFAOYSA-N 1 2 234.307 0.489 20 0 BCADLO Cc1c(C[N@@H+](C)Cc2cnnn2C)cnn1C ZINC000582634922 357355939 /nfs/dbraw/zinc/35/59/39/357355939.db2.gz MAOQLQQJAZMXRS-UHFFFAOYSA-N 1 2 234.307 0.489 20 0 BCADLO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(=O)OC ZINC000168368276 134197692 /nfs/dbraw/zinc/19/76/92/134197692.db2.gz ZZMMAFMRCCNWJD-DTWKUNHWSA-N 1 2 228.292 0.148 20 0 BCADLO C[C@H](CCCO)CNC(=O)Cn1cc[nH+]c1 ZINC000394958774 357401522 /nfs/dbraw/zinc/40/15/22/357401522.db2.gz CSBGWSRSPGRCCU-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO C[N@H+](Cc1ccccc1F)[C@@H]1CC(=O)NC1=O ZINC000582913052 357434572 /nfs/dbraw/zinc/43/45/72/357434572.db2.gz RLRUUOGXFYKXLE-SNVBAGLBSA-N 1 2 236.246 0.673 20 0 BCADLO C[N@@H+](Cc1ccccc1F)[C@@H]1CC(=O)NC1=O ZINC000582913052 357434573 /nfs/dbraw/zinc/43/45/73/357434573.db2.gz RLRUUOGXFYKXLE-SNVBAGLBSA-N 1 2 236.246 0.673 20 0 BCADLO O=C([C@H]1CCC(=O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000583026591 357463086 /nfs/dbraw/zinc/46/30/86/357463086.db2.gz HOACNDINNGYVOW-VIFPVBQESA-N 1 2 233.271 0.636 20 0 BCADLO Cc1ccncc1CNC(=O)Cn1cc[nH+]c1 ZINC000583030189 357463296 /nfs/dbraw/zinc/46/32/96/357463296.db2.gz KUAOHJCIIQIXAN-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO O=c1cccnn1Cc1[nH+]ccn1C(F)F ZINC000583064207 357471690 /nfs/dbraw/zinc/47/16/90/357471690.db2.gz HNPXUYCFCHEXFZ-UHFFFAOYSA-N 1 2 226.186 0.883 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCNC(=O)C1 ZINC000583113942 357476366 /nfs/dbraw/zinc/47/63/66/357476366.db2.gz XDARQCBDKWEMJH-UHFFFAOYSA-N 1 2 206.249 0.030 20 0 BCADLO CSC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000188654104 357570043 /nfs/dbraw/zinc/57/00/43/357570043.db2.gz COBHNNZDMNEXEZ-UHFFFAOYSA-N 1 2 244.360 0.019 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCO1 ZINC000188798643 357574571 /nfs/dbraw/zinc/57/45/71/357574571.db2.gz WELBQWFHPVDOJQ-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000188798643 357574573 /nfs/dbraw/zinc/57/45/73/357574573.db2.gz WELBQWFHPVDOJQ-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ncn(C)n2)[nH+]1 ZINC000578199676 366383922 /nfs/dbraw/zinc/38/39/22/366383922.db2.gz RIUBDNVJFRXPPN-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](CCO)C2)[nH]1 ZINC000158302689 538856752 /nfs/dbraw/zinc/85/67/52/538856752.db2.gz KGTZKPYMWGCAGU-SNVBAGLBSA-N 1 2 238.335 0.962 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](CCO)C2)[nH]1 ZINC000158302689 538856756 /nfs/dbraw/zinc/85/67/56/538856756.db2.gz KGTZKPYMWGCAGU-SNVBAGLBSA-N 1 2 238.335 0.962 20 0 BCADLO CCc1cc(N(C)[C@H]2CCNC2=O)nc(C)[nH+]1 ZINC000359735685 538856840 /nfs/dbraw/zinc/85/68/40/538856840.db2.gz PNDNOZXFNUFZLI-JTQLQIEISA-N 1 2 234.303 0.672 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131817853 325185566 /nfs/dbraw/zinc/18/55/66/325185566.db2.gz RVAUQAFQDLRDMP-WCQYABFASA-N 1 2 240.347 0.871 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)NC(C)C)C1CC1 ZINC000231788983 357629973 /nfs/dbraw/zinc/62/99/73/357629973.db2.gz HEPVSSWWKIAHNU-NSHDSACASA-N 1 2 242.319 0.442 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2ccncc12 ZINC000231911930 357639659 /nfs/dbraw/zinc/63/96/59/357639659.db2.gz NCPZGAPVMQZZBU-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2ccncc12 ZINC000231911930 357639663 /nfs/dbraw/zinc/63/96/63/357639663.db2.gz NCPZGAPVMQZZBU-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000189932375 357676396 /nfs/dbraw/zinc/67/63/96/357676396.db2.gz OVOVSDRKLZCXFD-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000189932375 357676399 /nfs/dbraw/zinc/67/63/99/357676399.db2.gz OVOVSDRKLZCXFD-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO COC[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000189396799 357635970 /nfs/dbraw/zinc/63/59/70/357635970.db2.gz AEWJVBVOLANEFF-VIFPVBQESA-N 1 2 239.262 0.615 20 0 BCADLO COC[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000189396799 357635975 /nfs/dbraw/zinc/63/59/75/357635975.db2.gz AEWJVBVOLANEFF-VIFPVBQESA-N 1 2 239.262 0.615 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190171532 357690976 /nfs/dbraw/zinc/69/09/76/357690976.db2.gz SQYJUNIFBOMDPE-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190171532 357690984 /nfs/dbraw/zinc/69/09/84/357690984.db2.gz SQYJUNIFBOMDPE-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CN1C(=O)C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000583243768 357693017 /nfs/dbraw/zinc/69/30/17/357693017.db2.gz KFWUVMSUZIKHFY-GZMMTYOYSA-N 1 2 228.267 0.568 20 0 BCADLO CN1C(=O)C[C@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000583243768 357693020 /nfs/dbraw/zinc/69/30/20/357693020.db2.gz KFWUVMSUZIKHFY-GZMMTYOYSA-N 1 2 228.267 0.568 20 0 BCADLO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000583243771 357693184 /nfs/dbraw/zinc/69/31/84/357693184.db2.gz KFWUVMSUZIKHFY-LDYMZIIASA-N 1 2 228.267 0.568 20 0 BCADLO CN1C(=O)C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000583243771 357693185 /nfs/dbraw/zinc/69/31/85/357693185.db2.gz KFWUVMSUZIKHFY-LDYMZIIASA-N 1 2 228.267 0.568 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCOC(C)(C)C1 ZINC000191383129 357767282 /nfs/dbraw/zinc/76/72/82/357767282.db2.gz LSXUCMPVZZDQQA-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCOC(C)(C)C1 ZINC000191383129 357767285 /nfs/dbraw/zinc/76/72/85/357767285.db2.gz LSXUCMPVZZDQQA-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO COCCC[N@H+](CCOC)Cc1ncccn1 ZINC000191955724 357805874 /nfs/dbraw/zinc/80/58/74/357805874.db2.gz KZKUDDVRHAFKAE-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1ncccn1 ZINC000191955724 357805881 /nfs/dbraw/zinc/80/58/81/357805881.db2.gz KZKUDDVRHAFKAE-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CCCC[C@@H](COC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191961938 357807359 /nfs/dbraw/zinc/80/73/59/357807359.db2.gz FJOIGJRWZGMTAY-VWYCJHECSA-N 1 2 247.335 0.704 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOCC(C)C ZINC000234558988 357811974 /nfs/dbraw/zinc/81/19/74/357811974.db2.gz JWYUKRYCZYNFGN-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOCC(C)C ZINC000234558988 357811979 /nfs/dbraw/zinc/81/19/79/357811979.db2.gz JWYUKRYCZYNFGN-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1ncccn1 ZINC000191990896 357820079 /nfs/dbraw/zinc/82/00/79/357820079.db2.gz LNJGATXBBRFNHP-UHFFFAOYSA-N 1 2 236.319 0.241 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000618703841 357785282 /nfs/dbraw/zinc/78/52/82/357785282.db2.gz HHIVQYHNASSBFE-ZWNOBZJWSA-N 1 2 249.314 0.837 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000234797436 357829308 /nfs/dbraw/zinc/82/93/08/357829308.db2.gz WCCAJLXVFYYJNA-JTQLQIEISA-N 1 2 242.323 0.130 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000193358248 357879422 /nfs/dbraw/zinc/87/94/22/357879422.db2.gz POJJRYOSTCQVMM-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000193358248 357879424 /nfs/dbraw/zinc/87/94/24/357879424.db2.gz POJJRYOSTCQVMM-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H]1CNC(=O)C1 ZINC000398345549 357884621 /nfs/dbraw/zinc/88/46/21/357884621.db2.gz PGUPVOVHJCTUIF-QMMMGPOBSA-N 1 2 221.260 0.638 20 0 BCADLO CC[C@H](O)CCCNC(=O)Cn1cc[nH+]c1 ZINC000398623020 357887976 /nfs/dbraw/zinc/88/79/76/357887976.db2.gz WWCAJBLZPVGVCQ-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H]1C[C@H](CO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000398701671 357889624 /nfs/dbraw/zinc/88/96/24/357889624.db2.gz LXIQEJUQVPJMLE-QWRGUYRKSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@@H]1C[C@@H](CO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000398701668 357889628 /nfs/dbraw/zinc/88/96/28/357889628.db2.gz LXIQEJUQVPJMLE-GHMZBOCLSA-N 1 2 237.303 0.360 20 0 BCADLO CC(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336144863 535374192 /nfs/dbraw/zinc/37/41/92/535374192.db2.gz QYGCWRBHQVHZGD-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H](CO)C1 ZINC000639937619 357939162 /nfs/dbraw/zinc/93/91/62/357939162.db2.gz VJWRKCJZOZQLSK-SFYZADRCSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H](CO)C1 ZINC000639937619 357939165 /nfs/dbraw/zinc/93/91/65/357939165.db2.gz VJWRKCJZOZQLSK-SFYZADRCSA-N 1 2 226.280 0.103 20 0 BCADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCO)CCO1 ZINC000610452331 357943074 /nfs/dbraw/zinc/94/30/74/357943074.db2.gz OPWDJSGZFNMEDT-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCO)CCO1 ZINC000610452331 357943075 /nfs/dbraw/zinc/94/30/75/357943075.db2.gz OPWDJSGZFNMEDT-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@H](O)CNc1nc[nH+]c(N)c1OC ZINC000218558301 357964926 /nfs/dbraw/zinc/96/49/26/357964926.db2.gz FVLYEEUCEMFGOD-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO CCC[C@H](O)CNc1[nH+]cnc(N)c1OC ZINC000218558301 357964930 /nfs/dbraw/zinc/96/49/30/357964930.db2.gz FVLYEEUCEMFGOD-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO C[C@]12C[NH+](CC(F)F)C[C@]1(C)C(=O)NC2=O ZINC000639945241 357970340 /nfs/dbraw/zinc/97/03/40/357970340.db2.gz SQQWNKXVRPPZPN-NXEZZACHSA-N 1 2 232.230 0.236 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nc(C(C)C)no1 ZINC000639950304 357972999 /nfs/dbraw/zinc/97/29/99/357972999.db2.gz WGZUITWZIWYCED-NSHDSACASA-N 1 2 243.307 0.680 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nc(C)c(C)o1 ZINC000639955878 357978204 /nfs/dbraw/zinc/97/82/04/357978204.db2.gz SWDRGPYQVDDYNY-LLVKDONJSA-N 1 2 228.292 0.778 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nnc(C)s1 ZINC000639957273 357981169 /nfs/dbraw/zinc/98/11/69/357981169.db2.gz LSLODUXQKAKWET-VIFPVBQESA-N 1 2 231.321 0.334 20 0 BCADLO O=S1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000610569980 357993989 /nfs/dbraw/zinc/99/39/89/357993989.db2.gz JOBIYSVUDSXCGO-SECBINFHSA-N 1 2 203.307 0.230 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)COC(C)C ZINC000639966847 358020936 /nfs/dbraw/zinc/02/09/36/358020936.db2.gz GWVVKLZODMKPFI-GFCCVEGCSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)COC(C)C ZINC000639966847 358020938 /nfs/dbraw/zinc/02/09/38/358020938.db2.gz GWVVKLZODMKPFI-GFCCVEGCSA-N 1 2 241.335 0.936 20 0 BCADLO CCN1C[C@@H](NCc2[nH]c(C)c(C)[nH+]2)CC1=O ZINC000584540895 358049194 /nfs/dbraw/zinc/04/91/94/358049194.db2.gz OTUWCQANILHPFE-JTQLQIEISA-N 1 2 236.319 0.737 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)[nH]2)[C@@](C)(CO)C1 ZINC000640004881 358051757 /nfs/dbraw/zinc/05/17/57/358051757.db2.gz OPVQQJUSBUYSBF-MWLCHTKSSA-N 1 2 240.307 0.085 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)[C@@](C)(CO)C1 ZINC000640004881 358051761 /nfs/dbraw/zinc/05/17/61/358051761.db2.gz OPVQQJUSBUYSBF-MWLCHTKSSA-N 1 2 240.307 0.085 20 0 BCADLO CCc1cc(N[C@H](C(N)=O)C(C)C)nc[nH+]1 ZINC000229782126 491120083 /nfs/dbraw/zinc/12/00/83/491120083.db2.gz SYYPOFUCRMVAJK-JTQLQIEISA-N 1 2 222.292 0.961 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](O)C(F)(F)C1 ZINC000617805185 358066713 /nfs/dbraw/zinc/06/67/13/358066713.db2.gz QTKJSYKIPYYTOK-QMMMGPOBSA-N 1 2 245.229 0.112 20 0 BCADLO CCN(CC(N)=O)c1[nH+]c(C)nc2[nH]ccc21 ZINC000353041262 535388632 /nfs/dbraw/zinc/38/86/32/535388632.db2.gz APIFUEZXEXZXCN-UHFFFAOYSA-N 1 2 233.275 0.578 20 0 BCADLO O=C(Nc1ccncn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000640012502 358068348 /nfs/dbraw/zinc/06/83/48/358068348.db2.gz GFQMFSNOTTUBET-MRVPVSSYSA-N 1 2 244.258 0.420 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170683533 134253040 /nfs/dbraw/zinc/25/30/40/134253040.db2.gz YZAXQDZQSGIRFK-JTQLQIEISA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170683533 134253041 /nfs/dbraw/zinc/25/30/41/134253041.db2.gz YZAXQDZQSGIRFK-JTQLQIEISA-N 1 2 212.293 0.399 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)COC(C)C)C(C)C ZINC000037887887 358096843 /nfs/dbraw/zinc/09/68/43/358096843.db2.gz TXOXHXSAXDFHGQ-QWRGUYRKSA-N 1 2 247.335 0.560 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000053148063 358106610 /nfs/dbraw/zinc/10/66/10/358106610.db2.gz FSTFVENFHKCIFM-UHFFFAOYSA-N 1 2 243.351 0.310 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000053148063 358106613 /nfs/dbraw/zinc/10/66/13/358106613.db2.gz FSTFVENFHKCIFM-UHFFFAOYSA-N 1 2 243.351 0.310 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nncn3C)C2)c1 ZINC000584689420 358152732 /nfs/dbraw/zinc/15/27/32/358152732.db2.gz MNKUJFXDSVMHQK-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nncn3C)C2)c1 ZINC000584689420 358152736 /nfs/dbraw/zinc/15/27/36/358152736.db2.gz MNKUJFXDSVMHQK-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000121843347 358160688 /nfs/dbraw/zinc/16/06/88/358160688.db2.gz UNXTYHXUNPHUBQ-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC(C)(F)CC2)C1=O ZINC000640071443 358161926 /nfs/dbraw/zinc/16/19/26/358161926.db2.gz NDXQALCJHPCHSP-VIFPVBQESA-N 1 2 230.283 0.973 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(C)(F)CC1 ZINC000640073254 358171726 /nfs/dbraw/zinc/17/17/26/358171726.db2.gz MVGMAUXNZQSBJK-UHFFFAOYSA-N 1 2 213.260 0.534 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1(CF)CCC1 ZINC000584780098 358176003 /nfs/dbraw/zinc/17/60/03/358176003.db2.gz BFNSDUYYRCZNNH-UHFFFAOYSA-N 1 2 244.310 0.575 20 0 BCADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCCF ZINC000640105147 358196044 /nfs/dbraw/zinc/19/60/44/358196044.db2.gz SJIKIIHBJGCSGV-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCCF ZINC000640105147 358196046 /nfs/dbraw/zinc/19/60/46/358196046.db2.gz SJIKIIHBJGCSGV-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO CCOCC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610826439 358207347 /nfs/dbraw/zinc/20/73/47/358207347.db2.gz DECYEDWFTMWYAQ-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO CCOCC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610826439 358207350 /nfs/dbraw/zinc/20/73/50/358207350.db2.gz DECYEDWFTMWYAQ-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100565 134261753 /nfs/dbraw/zinc/26/17/53/134261753.db2.gz JDKQSEYBARSJCS-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172100565 134261754 /nfs/dbraw/zinc/26/17/54/134261754.db2.gz JDKQSEYBARSJCS-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH]cc[nH+]1 ZINC000385476675 358224081 /nfs/dbraw/zinc/22/40/81/358224081.db2.gz ARWSBXBXCLLBSX-HXFLIBJXSA-N 1 2 221.260 0.479 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240236 /nfs/dbraw/zinc/24/02/36/202240236.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240237 /nfs/dbraw/zinc/24/02/37/202240237.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240241 /nfs/dbraw/zinc/24/02/41/202240241.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240243 /nfs/dbraw/zinc/24/02/43/202240243.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240246 /nfs/dbraw/zinc/24/02/46/202240246.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1CCCC[C@H]1O ZINC000450701634 202240249 /nfs/dbraw/zinc/24/02/49/202240249.db2.gz WYZAIUGMLZRSPM-MWLCHTKSSA-N 1 2 224.308 0.788 20 0 BCADLO C/C=C\CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000623425022 358221173 /nfs/dbraw/zinc/22/11/73/358221173.db2.gz NZSDJZHEEVMFNR-BYCRGOAPSA-N 1 2 241.335 0.582 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000172245541 134265388 /nfs/dbraw/zinc/26/53/88/134265388.db2.gz ZHGXDJXCVAFNQJ-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000172245541 134265389 /nfs/dbraw/zinc/26/53/89/134265389.db2.gz ZHGXDJXCVAFNQJ-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000172397756 134265822 /nfs/dbraw/zinc/26/58/22/134265822.db2.gz HTHUMTOFKMKRLP-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000172397756 134265823 /nfs/dbraw/zinc/26/58/23/134265823.db2.gz HTHUMTOFKMKRLP-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866327 535414574 /nfs/dbraw/zinc/41/45/74/535414574.db2.gz AGKAJCNSZSDCKN-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866327 535414583 /nfs/dbraw/zinc/41/45/83/535414583.db2.gz AGKAJCNSZSDCKN-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450725056 202245949 /nfs/dbraw/zinc/24/59/49/202245949.db2.gz PRQPLMFNVMHFNP-AXFHLTTASA-N 1 2 245.319 0.579 20 0 BCADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCO1 ZINC000450726168 202246428 /nfs/dbraw/zinc/24/64/28/202246428.db2.gz KHGJFMHBWKLTRP-NXEZZACHSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)[C@H]1CCCO1 ZINC000450726168 202246432 /nfs/dbraw/zinc/24/64/32/202246432.db2.gz KHGJFMHBWKLTRP-NXEZZACHSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450725058 202246783 /nfs/dbraw/zinc/24/67/83/202246783.db2.gz PRQPLMFNVMHFNP-GARJFASQSA-N 1 2 245.319 0.579 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1nnc2ccccn21 ZINC000172613509 134268711 /nfs/dbraw/zinc/26/87/11/134268711.db2.gz UWDXVUNXYZDPQB-JGVFFNPUSA-N 1 2 233.275 0.254 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000450752681 202256714 /nfs/dbraw/zinc/25/67/14/202256714.db2.gz GOUYKLLRSYBSLD-NEPJUHHUSA-N 1 2 241.331 0.827 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000450752681 202256717 /nfs/dbraw/zinc/25/67/17/202256717.db2.gz GOUYKLLRSYBSLD-NEPJUHHUSA-N 1 2 241.331 0.827 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCO ZINC000041292388 358283077 /nfs/dbraw/zinc/28/30/77/358283077.db2.gz MBZVYIXCYWBYLQ-UHFFFAOYSA-N 1 2 247.298 0.795 20 0 BCADLO CCOCC[N@H+](C)Cc1nc(COC)no1 ZINC000180232220 366399006 /nfs/dbraw/zinc/39/90/06/366399006.db2.gz HXIXAJGNEFZPSJ-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO CCOCC[N@@H+](C)Cc1nc(COC)no1 ZINC000180232220 366399015 /nfs/dbraw/zinc/39/90/15/366399015.db2.gz HXIXAJGNEFZPSJ-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2cnnc2C1 ZINC000227129032 358350635 /nfs/dbraw/zinc/35/06/35/358350635.db2.gz FCBCHMCVBLEXPE-WDEREUQCSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCn2cnnc2C1 ZINC000227129032 358350639 /nfs/dbraw/zinc/35/06/39/358350639.db2.gz FCBCHMCVBLEXPE-WDEREUQCSA-N 1 2 236.319 0.645 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[C@@H](C)CO ZINC000228460563 358375638 /nfs/dbraw/zinc/37/56/38/358375638.db2.gz ZWRLDPGFYQJQCH-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[C@@H](C)CO ZINC000228460563 358375640 /nfs/dbraw/zinc/37/56/40/358375640.db2.gz ZWRLDPGFYQJQCH-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[C@H](C)O ZINC000227851994 358364373 /nfs/dbraw/zinc/36/43/73/358364373.db2.gz JNUJTCUBTJITOB-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[C@H](C)O ZINC000227851994 358364377 /nfs/dbraw/zinc/36/43/77/358364377.db2.gz JNUJTCUBTJITOB-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO CC(C)COC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000228759469 358385445 /nfs/dbraw/zinc/38/54/45/358385445.db2.gz LZXCMCFWAAABGP-VIFPVBQESA-N 1 2 241.278 0.237 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1ccnn1C ZINC000230885942 358412021 /nfs/dbraw/zinc/41/20/21/358412021.db2.gz LMKOZKMHVSDFGC-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1ccnn1C ZINC000230885942 358412023 /nfs/dbraw/zinc/41/20/23/358412023.db2.gz LMKOZKMHVSDFGC-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](OC)C1 ZINC000230381070 358397791 /nfs/dbraw/zinc/39/77/91/358397791.db2.gz CCUQTVQDAKEGCL-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](OC)C1 ZINC000230381070 358397793 /nfs/dbraw/zinc/39/77/93/358397793.db2.gz CCUQTVQDAKEGCL-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000230351039 358397804 /nfs/dbraw/zinc/39/78/04/358397804.db2.gz YDNSGEGXGIJXTP-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000230351039 358397807 /nfs/dbraw/zinc/39/78/07/358397807.db2.gz YDNSGEGXGIJXTP-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[S@](C)=O ZINC000229430206 358403566 /nfs/dbraw/zinc/40/35/66/358403566.db2.gz CXXCXZYCKQAZPP-INIZCTEOSA-N 1 2 244.320 0.248 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[S@](C)=O ZINC000229430206 358403570 /nfs/dbraw/zinc/40/35/70/358403570.db2.gz CXXCXZYCKQAZPP-INIZCTEOSA-N 1 2 244.320 0.248 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCOC(C)C ZINC000610998650 358425178 /nfs/dbraw/zinc/42/51/78/358425178.db2.gz OTMPZANQKAMLCK-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCOC(C)C ZINC000610998650 358425180 /nfs/dbraw/zinc/42/51/80/358425180.db2.gz OTMPZANQKAMLCK-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO COC(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611009052 358431073 /nfs/dbraw/zinc/43/10/73/358431073.db2.gz RGHXPANYYULNBB-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO COC(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611009052 358431076 /nfs/dbraw/zinc/43/10/76/358431076.db2.gz RGHXPANYYULNBB-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO COC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611009052 358431079 /nfs/dbraw/zinc/43/10/79/358431079.db2.gz RGHXPANYYULNBB-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO COC(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000611009052 358431081 /nfs/dbraw/zinc/43/10/81/358431081.db2.gz RGHXPANYYULNBB-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO O=C(NCC(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000640193267 358613511 /nfs/dbraw/zinc/61/35/11/358613511.db2.gz LBJHCKRMDQKEQM-LURJTMIESA-N 1 2 230.218 0.372 20 0 BCADLO Nc1nccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000048411388 358634438 /nfs/dbraw/zinc/63/44/38/358634438.db2.gz SXVRMQQACOVQQO-UHFFFAOYSA-N 1 2 246.274 0.075 20 0 BCADLO C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)C1CC1 ZINC000175298989 134286956 /nfs/dbraw/zinc/28/69/56/134286956.db2.gz NNGYBUCNFJVLHM-NSHDSACASA-N 1 2 240.347 0.823 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)O)n1C ZINC000131126775 358661865 /nfs/dbraw/zinc/66/18/65/358661865.db2.gz YYLAFDKGFUGCDS-MRVPVSSYSA-N 1 2 212.297 0.190 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)O)n1C ZINC000131126775 358661867 /nfs/dbraw/zinc/66/18/67/358661867.db2.gz YYLAFDKGFUGCDS-MRVPVSSYSA-N 1 2 212.297 0.190 20 0 BCADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(N)=O ZINC000049237241 358676781 /nfs/dbraw/zinc/67/67/81/358676781.db2.gz ZNOSVWWYVFUELW-AOOOYVTPSA-N 1 2 241.335 0.193 20 0 BCADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(N)=O ZINC000049237241 358676785 /nfs/dbraw/zinc/67/67/85/358676785.db2.gz ZNOSVWWYVFUELW-AOOOYVTPSA-N 1 2 241.335 0.193 20 0 BCADLO COCC[N@H+](CCCF)CC(=O)OC ZINC000131595784 358684212 /nfs/dbraw/zinc/68/42/12/358684212.db2.gz KKMUHGXEYXYREQ-UHFFFAOYSA-N 1 2 207.245 0.467 20 0 BCADLO COCC[N@@H+](CCCF)CC(=O)OC ZINC000131595784 358684214 /nfs/dbraw/zinc/68/42/14/358684214.db2.gz KKMUHGXEYXYREQ-UHFFFAOYSA-N 1 2 207.245 0.467 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000050048358 358710552 /nfs/dbraw/zinc/71/05/52/358710552.db2.gz CBQYWILMUGVXDC-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC000050048358 358710556 /nfs/dbraw/zinc/71/05/56/358710556.db2.gz CBQYWILMUGVXDC-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000050064793 358711699 /nfs/dbraw/zinc/71/16/99/358711699.db2.gz DFCCBPKJRGHMBV-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000050064793 358711700 /nfs/dbraw/zinc/71/17/00/358711700.db2.gz DFCCBPKJRGHMBV-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000050419563 358729995 /nfs/dbraw/zinc/72/99/95/358729995.db2.gz ROPFFQPOCJMTEE-BDAKNGLRSA-N 1 2 239.323 0.380 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC000135075699 358819852 /nfs/dbraw/zinc/81/98/52/358819852.db2.gz DEHQFWXZJBVPQT-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC000135075699 358819855 /nfs/dbraw/zinc/81/98/55/358819855.db2.gz DEHQFWXZJBVPQT-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO COC(=O)CC1([NH2+]Cc2ccn[nH]2)CCC1 ZINC000134415044 358789355 /nfs/dbraw/zinc/78/93/55/358789355.db2.gz QTXNDENEFJOYCP-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)n(C)n1 ZINC000134498994 358791528 /nfs/dbraw/zinc/79/15/28/358791528.db2.gz ZQXFVWNLUOUBKQ-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO c1c[nH]c(-c2noc([C@H]3CSC[NH2+]3)n2)n1 ZINC000578236190 366465401 /nfs/dbraw/zinc/46/54/01/366465401.db2.gz AYRINPLOFNXQLV-RXMQYKEDSA-N 1 2 223.261 0.795 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCNC(=O)CC1 ZINC000054258944 358857500 /nfs/dbraw/zinc/85/75/00/358857500.db2.gz FKAXJBUWTWAYJU-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCNC(=O)CC1 ZINC000054258944 358857502 /nfs/dbraw/zinc/85/75/02/358857502.db2.gz FKAXJBUWTWAYJU-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO COCCC[N@H+](CCOC)Cc1nnc(C)o1 ZINC000054365193 358859817 /nfs/dbraw/zinc/85/98/17/358859817.db2.gz OSOYOTVDRQIXMF-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1nnc(C)o1 ZINC000054365193 358859819 /nfs/dbraw/zinc/85/98/19/358859819.db2.gz OSOYOTVDRQIXMF-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@H](C)C1)CS(C)(=O)=O ZINC000176956811 134295232 /nfs/dbraw/zinc/29/52/32/134295232.db2.gz HNAQXXZICOVYJI-NXEZZACHSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@H](C)C1)CS(C)(=O)=O ZINC000176956811 134295233 /nfs/dbraw/zinc/29/52/33/134295233.db2.gz HNAQXXZICOVYJI-NXEZZACHSA-N 1 2 235.349 0.388 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1CC(=O)C1)C2 ZINC000136787101 358885815 /nfs/dbraw/zinc/88/58/15/358885815.db2.gz KGCAULBIIOQEJA-JTQLQIEISA-N 1 2 247.298 0.602 20 0 BCADLO CCCCOCC[N@@H+]1CCNC(=O)C1 ZINC000056267638 358897301 /nfs/dbraw/zinc/89/73/01/358897301.db2.gz TVTMERVHRCGTNQ-UHFFFAOYSA-N 1 2 200.282 0.235 20 0 BCADLO CCCCOCC[N@H+]1CCNC(=O)C1 ZINC000056267638 358897303 /nfs/dbraw/zinc/89/73/03/358897303.db2.gz TVTMERVHRCGTNQ-UHFFFAOYSA-N 1 2 200.282 0.235 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)NC(C)(C)C ZINC000056508743 358899424 /nfs/dbraw/zinc/89/94/24/358899424.db2.gz AFEKSVDXTLSZSX-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)NC(C)(C)C ZINC000056508743 358899425 /nfs/dbraw/zinc/89/94/25/358899425.db2.gz AFEKSVDXTLSZSX-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)n1cncn1)c1[nH]cc[nH+]1 ZINC000140512905 358922853 /nfs/dbraw/zinc/92/28/53/358922853.db2.gz IHIUKVINXVAHHD-BDAKNGLRSA-N 1 2 248.290 0.830 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]1C(F)F ZINC000633234615 358958703 /nfs/dbraw/zinc/95/87/03/358958703.db2.gz SSWIHIIZTULSBF-ZETCQYMHSA-N 1 2 215.203 0.749 20 0 BCADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070990359 359070168 /nfs/dbraw/zinc/07/01/68/359070168.db2.gz NBAWGOSRHVAZQV-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2n[nH]nc2c1 ZINC000070991491 359070222 /nfs/dbraw/zinc/07/02/22/359070222.db2.gz NOZDGWVSMDLLHB-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000073167038 359098127 /nfs/dbraw/zinc/09/81/27/359098127.db2.gz BEWQJOJCGDLMEE-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000073167038 359098129 /nfs/dbraw/zinc/09/81/29/359098129.db2.gz BEWQJOJCGDLMEE-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643488 359104198 /nfs/dbraw/zinc/10/41/98/359104198.db2.gz WUBHDLFIHRTVMM-SNVBAGLBSA-N 1 2 243.351 0.263 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643488 359104202 /nfs/dbraw/zinc/10/42/02/359104202.db2.gz WUBHDLFIHRTVMM-SNVBAGLBSA-N 1 2 243.351 0.263 20 0 BCADLO CCC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000308855909 491139033 /nfs/dbraw/zinc/13/90/33/491139033.db2.gz OCDFFQLZCVJBHN-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)CC ZINC000611208835 359112137 /nfs/dbraw/zinc/11/21/37/359112137.db2.gz SQYCHAOLFQOLGJ-ZJUUUORDSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC ZINC000611208835 359112141 /nfs/dbraw/zinc/11/21/41/359112141.db2.gz SQYCHAOLFQOLGJ-ZJUUUORDSA-N 1 2 233.308 0.267 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](CC)CC(=O)N(C)C ZINC000611205044 359112252 /nfs/dbraw/zinc/11/22/52/359112252.db2.gz QIZBLXMBPJMCMB-SECBINFHSA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](CC)CC(=O)N(C)C ZINC000611205044 359112254 /nfs/dbraw/zinc/11/22/54/359112254.db2.gz QIZBLXMBPJMCMB-SECBINFHSA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](CC)CC(=O)N(C)C ZINC000611205045 359112278 /nfs/dbraw/zinc/11/22/78/359112278.db2.gz QIZBLXMBPJMCMB-VIFPVBQESA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](CC)CC(=O)N(C)C ZINC000611205045 359112280 /nfs/dbraw/zinc/11/22/80/359112280.db2.gz QIZBLXMBPJMCMB-VIFPVBQESA-N 1 2 230.308 0.348 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(C)(C)O ZINC000611207837 359115062 /nfs/dbraw/zinc/11/50/62/359115062.db2.gz BEKKHFFMUSJASI-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(C)(C)O ZINC000611207837 359115066 /nfs/dbraw/zinc/11/50/66/359115066.db2.gz BEKKHFFMUSJASI-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO Nc1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000070646764 359060489 /nfs/dbraw/zinc/06/04/89/359060489.db2.gz DEXHKUBSMVJGOP-UHFFFAOYSA-N 1 2 217.232 0.317 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)NC2CCCC2)C1 ZINC000074902129 359133528 /nfs/dbraw/zinc/13/35/28/359133528.db2.gz UVUWBTLMUNDXFD-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)NC2CCCC2)C1 ZINC000074902129 359133532 /nfs/dbraw/zinc/13/35/32/359133532.db2.gz UVUWBTLMUNDXFD-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246663289 359155450 /nfs/dbraw/zinc/15/54/50/359155450.db2.gz PZJVMHYJNJVZJA-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246663295 359155789 /nfs/dbraw/zinc/15/57/89/359155789.db2.gz PZJVMHYJNJVZJA-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000613743129 363632420 /nfs/dbraw/zinc/63/24/20/363632420.db2.gz LZGRQSGMUHXXIR-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000613743129 363632425 /nfs/dbraw/zinc/63/24/25/363632425.db2.gz LZGRQSGMUHXXIR-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000169132564 359317809 /nfs/dbraw/zinc/31/78/09/359317809.db2.gz CWNRJMZMAODPDX-ZJUUUORDSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000169132564 359317815 /nfs/dbraw/zinc/31/78/15/359317815.db2.gz CWNRJMZMAODPDX-ZJUUUORDSA-N 1 2 243.303 0.211 20 0 BCADLO FC1(C[NH2+]Cc2nnnn2C2CC2)CC1 ZINC000308911209 491140178 /nfs/dbraw/zinc/14/01/78/491140178.db2.gz WKONHBZCJUAHTD-UHFFFAOYSA-N 1 2 211.244 0.600 20 0 BCADLO COC[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000308958312 491141022 /nfs/dbraw/zinc/14/10/22/491141022.db2.gz RDNZFQFENOFLML-APPZFPTMSA-N 1 2 213.281 0.376 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnns2)CC[C@@H]1O ZINC000306320933 359606333 /nfs/dbraw/zinc/60/63/33/359606333.db2.gz WWFUSSXWKUEALY-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1O ZINC000306320933 359606339 /nfs/dbraw/zinc/60/63/39/359606339.db2.gz WWFUSSXWKUEALY-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cs1 ZINC000309012843 491142387 /nfs/dbraw/zinc/14/23/87/491142387.db2.gz SNLFMNIXSYLAAN-SSDOTTSWSA-N 1 2 248.373 0.974 20 0 BCADLO CC(C)CN1CC[N@H+](CC[C@@H](C)O)CC1=O ZINC000450792222 202269022 /nfs/dbraw/zinc/26/90/22/202269022.db2.gz NTRNDSAPQCWCMK-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](CC[C@@H](C)O)CC1=O ZINC000450792222 202269026 /nfs/dbraw/zinc/26/90/26/202269026.db2.gz NTRNDSAPQCWCMK-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CC[C@@]1(C)C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450834364 202280542 /nfs/dbraw/zinc/28/05/42/202280542.db2.gz UWQHATYNXJHCAG-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@]1(C)C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450834364 202280546 /nfs/dbraw/zinc/28/05/46/202280546.db2.gz UWQHATYNXJHCAG-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cocn1 ZINC000578470501 366576545 /nfs/dbraw/zinc/57/65/45/366576545.db2.gz HDOVUAHZCFPYQJ-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cocn1 ZINC000578470501 366576550 /nfs/dbraw/zinc/57/65/50/366576550.db2.gz HDOVUAHZCFPYQJ-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCF)CC2 ZINC000626835204 359857345 /nfs/dbraw/zinc/85/73/45/359857345.db2.gz CXUPMSKVKUJTRM-SECBINFHSA-N 1 2 225.267 0.840 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451143439 202364906 /nfs/dbraw/zinc/36/49/06/202364906.db2.gz YHTZQRCUOMFHTJ-SECBINFHSA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451143439 202364909 /nfs/dbraw/zinc/36/49/09/202364909.db2.gz YHTZQRCUOMFHTJ-SECBINFHSA-N 1 2 243.351 0.343 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451179388 202369957 /nfs/dbraw/zinc/36/99/57/202369957.db2.gz AIQBDRXEHCPHBX-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451179388 202369959 /nfs/dbraw/zinc/36/99/59/202369959.db2.gz AIQBDRXEHCPHBX-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612519381 359876077 /nfs/dbraw/zinc/87/60/77/359876077.db2.gz JDGLWWWGWBQOOF-SECBINFHSA-N 1 2 249.314 0.810 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612519381 359876081 /nfs/dbraw/zinc/87/60/81/359876081.db2.gz JDGLWWWGWBQOOF-SECBINFHSA-N 1 2 249.314 0.810 20 0 BCADLO COCC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612519382 359876694 /nfs/dbraw/zinc/87/66/94/359876694.db2.gz JDGLWWWGWBQOOF-VIFPVBQESA-N 1 2 249.314 0.810 20 0 BCADLO COCC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612519382 359876698 /nfs/dbraw/zinc/87/66/98/359876698.db2.gz JDGLWWWGWBQOOF-VIFPVBQESA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@H](C[N@H+](C1CC1)C1COC1)CS(C)(=O)=O ZINC000451124949 202359206 /nfs/dbraw/zinc/35/92/06/202359206.db2.gz HDCYYFMUXTUTKS-VIFPVBQESA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H](C[N@@H+](C1CC1)C1COC1)CS(C)(=O)=O ZINC000451124949 202359208 /nfs/dbraw/zinc/35/92/08/202359208.db2.gz HDCYYFMUXTUTKS-VIFPVBQESA-N 1 2 247.360 0.530 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451123945 202359573 /nfs/dbraw/zinc/35/95/73/202359573.db2.gz WLYHWZNZDYYYGZ-GFCCVEGCSA-N 1 2 246.326 0.963 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451123945 202359576 /nfs/dbraw/zinc/35/95/76/202359576.db2.gz WLYHWZNZDYYYGZ-GFCCVEGCSA-N 1 2 246.326 0.963 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451190393 202372702 /nfs/dbraw/zinc/37/27/02/202372702.db2.gz QGDQJWHBPAXCHB-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451190393 202372704 /nfs/dbraw/zinc/37/27/04/202372704.db2.gz QGDQJWHBPAXCHB-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191938 202376395 /nfs/dbraw/zinc/37/63/95/202376395.db2.gz SHBVUOSIDAUQBD-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191938 202376398 /nfs/dbraw/zinc/37/63/98/202376398.db2.gz SHBVUOSIDAUQBD-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO O=C(NCCCF)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612576814 359889228 /nfs/dbraw/zinc/88/92/28/359889228.db2.gz SSXQDMNKGQBUND-QMMMGPOBSA-N 1 2 225.267 0.990 20 0 BCADLO O=C(NCCCF)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612576814 359889232 /nfs/dbraw/zinc/88/92/32/359889232.db2.gz SSXQDMNKGQBUND-QMMMGPOBSA-N 1 2 225.267 0.990 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000578569553 366599192 /nfs/dbraw/zinc/59/91/92/366599192.db2.gz VZAUVDAMOVNYHH-RKDXNWHRSA-N 1 2 207.277 0.829 20 0 BCADLO COc1ccncc1NC(=O)Cn1cc[nH+]c1 ZINC000578707864 366628207 /nfs/dbraw/zinc/62/82/07/366628207.db2.gz RMOGHVKFWLMDAA-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CCOC(=O)c1nn(C)cc1CNc1c[nH]c[nH+]1 ZINC000578710785 366628342 /nfs/dbraw/zinc/62/83/42/366628342.db2.gz GSWNCFMAAAIFBZ-UHFFFAOYSA-N 1 2 249.274 0.932 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000088077854 359935146 /nfs/dbraw/zinc/93/51/46/359935146.db2.gz YSFGMYGLFUJLLR-UWVGGRQHSA-N 1 2 247.335 0.656 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000088077854 359935148 /nfs/dbraw/zinc/93/51/48/359935148.db2.gz YSFGMYGLFUJLLR-UWVGGRQHSA-N 1 2 247.335 0.656 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cnc(N)s1 ZINC000088094665 359937265 /nfs/dbraw/zinc/93/72/65/359937265.db2.gz FCRAALFBACGKFN-SFYZADRCSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cnc(N)s1 ZINC000088094665 359937270 /nfs/dbraw/zinc/93/72/70/359937270.db2.gz FCRAALFBACGKFN-SFYZADRCSA-N 1 2 243.332 0.307 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)Cc1cnccn1 ZINC000578881611 366666170 /nfs/dbraw/zinc/66/61/70/366666170.db2.gz FGEGTGJRJFRWGW-UHFFFAOYSA-N 1 2 246.274 0.494 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)Cc1cnccn1 ZINC000578881611 366666173 /nfs/dbraw/zinc/66/61/73/366666173.db2.gz FGEGTGJRJFRWGW-UHFFFAOYSA-N 1 2 246.274 0.494 20 0 BCADLO CC[N@H+](CCO)Cc1cc(C(C)=O)no1 ZINC000578949728 366678363 /nfs/dbraw/zinc/67/83/63/366678363.db2.gz ODVSSHVQYWTXBS-UHFFFAOYSA-N 1 2 212.249 0.691 20 0 BCADLO CC[N@@H+](CCO)Cc1cc(C(C)=O)no1 ZINC000578949728 366678365 /nfs/dbraw/zinc/67/83/65/366678365.db2.gz ODVSSHVQYWTXBS-UHFFFAOYSA-N 1 2 212.249 0.691 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000088619482 359970570 /nfs/dbraw/zinc/97/05/70/359970570.db2.gz ZQRORVQAOALOBZ-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000088619482 359970572 /nfs/dbraw/zinc/97/05/72/359970572.db2.gz ZQRORVQAOALOBZ-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628517902 359971585 /nfs/dbraw/zinc/97/15/85/359971585.db2.gz XZBWARMEWDPPKG-GARJFASQSA-N 1 2 231.299 0.924 20 0 BCADLO O=C(COc1ccccc1O)NCc1c[nH+]c[nH]1 ZINC000088753796 359975461 /nfs/dbraw/zinc/97/54/61/359975461.db2.gz FSWZTTUBPJTIDR-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO O=C(COc1ccccc1O)NCc1c[nH]c[nH+]1 ZINC000088753796 359975463 /nfs/dbraw/zinc/97/54/63/359975463.db2.gz FSWZTTUBPJTIDR-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000088759356 359977167 /nfs/dbraw/zinc/97/71/67/359977167.db2.gz FOFVXXUNSDTNEV-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000088759356 359977170 /nfs/dbraw/zinc/97/71/70/359977170.db2.gz FOFVXXUNSDTNEV-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088759318 359977366 /nfs/dbraw/zinc/97/73/66/359977366.db2.gz STHLLPDMBTXESQ-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088759318 359977369 /nfs/dbraw/zinc/97/73/69/359977369.db2.gz STHLLPDMBTXESQ-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612693752 360010256 /nfs/dbraw/zinc/01/02/56/360010256.db2.gz CSAJPBQWJNQMAI-QMMMGPOBSA-N 1 2 235.287 0.108 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612693752 360010259 /nfs/dbraw/zinc/01/02/59/360010259.db2.gz CSAJPBQWJNQMAI-QMMMGPOBSA-N 1 2 235.287 0.108 20 0 BCADLO CCCCNC(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678403 360033485 /nfs/dbraw/zinc/03/34/85/360033485.db2.gz JSBSSZVPVQXVRR-SNVBAGLBSA-N 1 2 240.347 0.748 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154305 359995349 /nfs/dbraw/zinc/99/53/49/359995349.db2.gz FIAKULHCFWVBJS-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154305 359995354 /nfs/dbraw/zinc/99/53/54/359995354.db2.gz FIAKULHCFWVBJS-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO Nc1ncc(C[N@@H+]2CCC3(C2)OCCO3)s1 ZINC000306457698 360047601 /nfs/dbraw/zinc/04/76/01/360047601.db2.gz VZISSDUXECRHNW-UHFFFAOYSA-N 1 2 241.316 0.674 20 0 BCADLO Nc1ncc(C[N@H+]2CCC3(C2)OCCO3)s1 ZINC000306457698 360047608 /nfs/dbraw/zinc/04/76/08/360047608.db2.gz VZISSDUXECRHNW-UHFFFAOYSA-N 1 2 241.316 0.674 20 0 BCADLO O=C(NCC[NH+]1CCC1)[C@@H]1CCCc2n[nH]nc21 ZINC000612841464 360105630 /nfs/dbraw/zinc/10/56/30/360105630.db2.gz ADYOQLYECBWODM-SECBINFHSA-N 1 2 249.318 0.047 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008539 360052867 /nfs/dbraw/zinc/05/28/67/360052867.db2.gz ROGPYGZSQLALIN-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090008539 360052869 /nfs/dbraw/zinc/05/28/69/360052869.db2.gz ROGPYGZSQLALIN-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO COCc1cc(C(=O)NCc2c[nH+]c[nH]2)no1 ZINC000090254166 360067439 /nfs/dbraw/zinc/06/74/39/360067439.db2.gz SOKHQWLEOXYENM-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO COCc1cc(C(=O)NCc2c[nH]c[nH+]2)no1 ZINC000090254166 360067446 /nfs/dbraw/zinc/06/74/46/360067446.db2.gz SOKHQWLEOXYENM-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](CC1CCCC1)C2 ZINC000090656463 360082103 /nfs/dbraw/zinc/08/21/03/360082103.db2.gz IWAJDYRPFXELNQ-UHFFFAOYSA-N 1 2 236.319 0.588 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](CC1CCCC1)C2 ZINC000090656463 360082108 /nfs/dbraw/zinc/08/21/08/360082108.db2.gz IWAJDYRPFXELNQ-UHFFFAOYSA-N 1 2 236.319 0.588 20 0 BCADLO CCC(CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698421 360083712 /nfs/dbraw/zinc/08/37/12/360083712.db2.gz ZRUWWGRBAHWRRB-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CC=CCC1 ZINC000090698846 360084239 /nfs/dbraw/zinc/08/42/39/360084239.db2.gz KABOZMTUIAWHCS-STQMWFEESA-N 1 2 249.358 0.459 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccn1C ZINC000092042554 360147638 /nfs/dbraw/zinc/14/76/38/360147638.db2.gz GEFXHBNRRPDVJG-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccn1C ZINC000092042554 360147642 /nfs/dbraw/zinc/14/76/42/360147642.db2.gz GEFXHBNRRPDVJG-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO COCCN1CC[N@H+](CCCSC)CC1=O ZINC000091830427 360132127 /nfs/dbraw/zinc/13/21/27/360132127.db2.gz SEPRDHVQFAGSLY-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO COCCN1CC[N@@H+](CCCSC)CC1=O ZINC000091830427 360132128 /nfs/dbraw/zinc/13/21/28/360132128.db2.gz SEPRDHVQFAGSLY-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1CO ZINC000613030456 360277566 /nfs/dbraw/zinc/27/75/66/360277566.db2.gz JGYAZHWVAYWKMX-JQWIXIFHSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614053569 363720281 /nfs/dbraw/zinc/72/02/81/363720281.db2.gz IQDUMWBALAAYOQ-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614053569 363720285 /nfs/dbraw/zinc/72/02/85/363720285.db2.gz IQDUMWBALAAYOQ-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000613087136 360348549 /nfs/dbraw/zinc/34/85/49/360348549.db2.gz UOKRHBWXCLMJKQ-DTWKUNHWSA-N 1 2 236.271 0.963 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000613087135 360348661 /nfs/dbraw/zinc/34/86/61/360348661.db2.gz UOKRHBWXCLMJKQ-BDAKNGLRSA-N 1 2 236.271 0.963 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncnn1C(C)C ZINC000631161060 360552696 /nfs/dbraw/zinc/55/26/96/360552696.db2.gz JLUYNUFGSPHGOR-VHSXEESVSA-N 1 2 240.307 0.362 20 0 BCADLO COc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[nH]n1 ZINC000628626948 360582684 /nfs/dbraw/zinc/58/26/84/360582684.db2.gz FWXSHLLZCHZWIK-SSDOTTSWSA-N 1 2 249.274 0.959 20 0 BCADLO COc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[nH]n1 ZINC000628626948 360582688 /nfs/dbraw/zinc/58/26/88/360582688.db2.gz FWXSHLLZCHZWIK-SSDOTTSWSA-N 1 2 249.274 0.959 20 0 BCADLO COc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[nH]n1 ZINC000628626949 360582734 /nfs/dbraw/zinc/58/27/34/360582734.db2.gz FWXSHLLZCHZWIK-ZETCQYMHSA-N 1 2 249.274 0.959 20 0 BCADLO COc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[nH]n1 ZINC000628626949 360582738 /nfs/dbraw/zinc/58/27/38/360582738.db2.gz FWXSHLLZCHZWIK-ZETCQYMHSA-N 1 2 249.274 0.959 20 0 BCADLO COc1cc(NC(=O)C[NH+]2CC(C)(C)C2)[nH]n1 ZINC000628627881 360584754 /nfs/dbraw/zinc/58/47/54/360584754.db2.gz JUQYUVUNDQOWGY-UHFFFAOYSA-N 1 2 238.291 0.699 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000628912377 360744678 /nfs/dbraw/zinc/74/46/78/360744678.db2.gz UHEYZXIYGKQCND-QCNOEVLYSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000628912377 360744680 /nfs/dbraw/zinc/74/46/80/360744680.db2.gz UHEYZXIYGKQCND-QCNOEVLYSA-N 1 2 238.331 0.479 20 0 BCADLO CCC[C@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912129 360744783 /nfs/dbraw/zinc/74/47/83/360744783.db2.gz BJSJQDPQOQTXPK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912129 360744785 /nfs/dbraw/zinc/74/47/85/360744785.db2.gz BJSJQDPQOQTXPK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000628912330 360745122 /nfs/dbraw/zinc/74/51/22/360745122.db2.gz STGHMBDKGXVHSA-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000628912330 360745127 /nfs/dbraw/zinc/74/51/27/360745127.db2.gz STGHMBDKGXVHSA-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CCCCC1 ZINC000628913508 360745896 /nfs/dbraw/zinc/74/58/96/360745896.db2.gz ANHPNEZAMUQKOP-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=CCCCC1 ZINC000628913508 360745899 /nfs/dbraw/zinc/74/58/99/360745899.db2.gz ANHPNEZAMUQKOP-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)co1 ZINC000628914243 360745948 /nfs/dbraw/zinc/74/59/48/360745948.db2.gz HGWXZHKLQSOOPH-NSHDSACASA-N 1 2 238.287 0.648 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)co1 ZINC000628914243 360745951 /nfs/dbraw/zinc/74/59/51/360745951.db2.gz HGWXZHKLQSOOPH-NSHDSACASA-N 1 2 238.287 0.648 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912754 360746088 /nfs/dbraw/zinc/74/60/88/360746088.db2.gz GZBNVMCVROBFRK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912754 360746093 /nfs/dbraw/zinc/74/60/93/360746093.db2.gz GZBNVMCVROBFRK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CCCCC1 ZINC000628913509 360746281 /nfs/dbraw/zinc/74/62/81/360746281.db2.gz ANHPNEZAMUQKOP-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CCCCC1 ZINC000628913509 360746284 /nfs/dbraw/zinc/74/62/84/360746284.db2.gz ANHPNEZAMUQKOP-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000628913884 360746704 /nfs/dbraw/zinc/74/67/04/360746704.db2.gz WKVUGWYWRPCFHA-VHSXEESVSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000628913884 360746711 /nfs/dbraw/zinc/74/67/11/360746711.db2.gz WKVUGWYWRPCFHA-VHSXEESVSA-N 1 2 224.304 0.233 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914318 360747996 /nfs/dbraw/zinc/74/79/96/360747996.db2.gz HZQQDXDIMCNLPE-AEJSXWLSSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914318 360748001 /nfs/dbraw/zinc/74/80/01/360748001.db2.gz HZQQDXDIMCNLPE-AEJSXWLSSA-N 1 2 212.293 0.089 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915400 360749641 /nfs/dbraw/zinc/74/96/41/360749641.db2.gz RVBVCWDIJKRDPP-GRYCIOLGSA-N 1 2 240.347 0.725 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915400 360749643 /nfs/dbraw/zinc/74/96/43/360749643.db2.gz RVBVCWDIJKRDPP-GRYCIOLGSA-N 1 2 240.347 0.725 20 0 BCADLO Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000628915451 360750233 /nfs/dbraw/zinc/75/02/33/360750233.db2.gz BNRVBKIGACLCSI-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000628915451 360750237 /nfs/dbraw/zinc/75/02/37/360750237.db2.gz BNRVBKIGACLCSI-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC(F)F ZINC000628918705 360751382 /nfs/dbraw/zinc/75/13/82/360751382.db2.gz FDFJYXHTFSCURL-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC(F)F ZINC000628918705 360751387 /nfs/dbraw/zinc/75/13/87/360751387.db2.gz FDFJYXHTFSCURL-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCSC1 ZINC000628918599 360751711 /nfs/dbraw/zinc/75/17/11/360751711.db2.gz NNWZZBFFNHYNPB-NXEZZACHSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCSC1 ZINC000628918599 360751716 /nfs/dbraw/zinc/75/17/16/360751716.db2.gz NNWZZBFFNHYNPB-NXEZZACHSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000628917511 360752896 /nfs/dbraw/zinc/75/28/96/360752896.db2.gz JJOCDIAVSVYCIL-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000628917511 360752901 /nfs/dbraw/zinc/75/29/01/360752901.db2.gz JJOCDIAVSVYCIL-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)ccn1 ZINC000628921060 360754422 /nfs/dbraw/zinc/75/44/22/360754422.db2.gz JIVAFAJHMXBNIN-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)ccn1 ZINC000628921060 360754427 /nfs/dbraw/zinc/75/44/27/360754427.db2.gz JIVAFAJHMXBNIN-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO COCCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922683 360755181 /nfs/dbraw/zinc/75/51/81/360755181.db2.gz QIQZUXCVXBMEBY-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO COCCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922683 360755183 /nfs/dbraw/zinc/75/51/83/360755183.db2.gz QIQZUXCVXBMEBY-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(F)(F)F ZINC000628922924 360755186 /nfs/dbraw/zinc/75/51/86/360755186.db2.gz ZTLWAWJRLFTKRQ-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC(F)(F)F ZINC000628922924 360755189 /nfs/dbraw/zinc/75/51/89/360755189.db2.gz ZTLWAWJRLFTKRQ-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC(F)(F)F ZINC000628922923 360755245 /nfs/dbraw/zinc/75/52/45/360755245.db2.gz ZTLWAWJRLFTKRQ-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC(F)(F)F ZINC000628922923 360755247 /nfs/dbraw/zinc/75/52/47/360755247.db2.gz ZTLWAWJRLFTKRQ-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CCO[C@@H](CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922094 360755354 /nfs/dbraw/zinc/75/53/54/360755354.db2.gz VBYCIEDTRREQTB-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922094 360755357 /nfs/dbraw/zinc/75/53/57/360755357.db2.gz VBYCIEDTRREQTB-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC000628926281 360757779 /nfs/dbraw/zinc/75/77/79/360757779.db2.gz PQZWRBOJCNFNRV-SNVBAGLBSA-N 1 2 224.260 0.340 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC000628926281 360757783 /nfs/dbraw/zinc/75/77/83/360757783.db2.gz PQZWRBOJCNFNRV-SNVBAGLBSA-N 1 2 224.260 0.340 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C ZINC000628926836 360759154 /nfs/dbraw/zinc/75/91/54/360759154.db2.gz UGPLYZYOEHGPFL-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C ZINC000628926836 360759158 /nfs/dbraw/zinc/75/91/58/360759158.db2.gz UGPLYZYOEHGPFL-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000631198903 360759294 /nfs/dbraw/zinc/75/92/94/360759294.db2.gz VUIMLWUSKNGNDQ-DTORHVGOSA-N 1 2 239.323 0.289 20 0 BCADLO C/C=C/CNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000629036072 360802738 /nfs/dbraw/zinc/80/27/38/360802738.db2.gz FXNHMYSVUKGYOV-ZWNMCFTASA-N 1 2 225.336 0.315 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000634034167 360780567 /nfs/dbraw/zinc/78/05/67/360780567.db2.gz XQTFMQABNLZWNW-JVUFJMBOSA-N 1 2 237.303 0.943 20 0 BCADLO C/C=C/CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000629033658 360817659 /nfs/dbraw/zinc/81/76/59/360817659.db2.gz CULLCODRRJRVSR-NSCUHMNNSA-N 1 2 238.331 0.934 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629122751 360888423 /nfs/dbraw/zinc/88/84/23/360888423.db2.gz FMSLAKHHKKZGQE-GHMZBOCLSA-N 1 2 235.287 0.567 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629130308 360894828 /nfs/dbraw/zinc/89/48/28/360894828.db2.gz IKFQQLLDDDJGLY-NEPJUHHUSA-N 1 2 249.314 0.957 20 0 BCADLO CNc1[nH+]cnc2c1cnn2[C@H](C)[C@@H](C)O ZINC000309631821 491153266 /nfs/dbraw/zinc/15/32/66/491153266.db2.gz IAKXENRRWGTJJZ-RNFRBKRXSA-N 1 2 221.264 0.810 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@H]2F)c1 ZINC000424891340 200803855 /nfs/dbraw/zinc/80/38/55/200803855.db2.gz JPMXCJYKSIWAMC-KOLCDFICSA-N 1 2 225.267 0.827 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)C1(C)CC1 ZINC000632583463 361069972 /nfs/dbraw/zinc/06/99/72/361069972.db2.gz DKNHGRLWDCLJEP-UHFFFAOYSA-N 1 2 243.332 0.875 20 0 BCADLO CC[C@@H](NC(=O)Cc1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000578992230 366688280 /nfs/dbraw/zinc/68/82/80/366688280.db2.gz QGWATPLMOSORKT-SNVBAGLBSA-N 1 2 247.302 0.953 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474981 361246335 /nfs/dbraw/zinc/24/63/35/361246335.db2.gz DFPBQZHVGRMDBS-MWLCHTKSSA-N 1 2 207.277 0.470 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474981 361246340 /nfs/dbraw/zinc/24/63/40/361246340.db2.gz DFPBQZHVGRMDBS-MWLCHTKSSA-N 1 2 207.277 0.470 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccnnc1 ZINC000158845009 361212877 /nfs/dbraw/zinc/21/28/77/361212877.db2.gz NVVZQXYEOPALEV-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CC(C)Cc1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474388 361239835 /nfs/dbraw/zinc/23/98/35/361239835.db2.gz RXKCUKNTYZVHAL-BXKDBHETSA-N 1 2 237.303 0.835 20 0 BCADLO CC(C)Cc1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474388 361239842 /nfs/dbraw/zinc/23/98/42/361239842.db2.gz RXKCUKNTYZVHAL-BXKDBHETSA-N 1 2 237.303 0.835 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640473437 361242760 /nfs/dbraw/zinc/24/27/60/361242760.db2.gz IDEBUUNCHLTACV-KWQFWETISA-N 1 2 223.276 0.760 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640473437 361242764 /nfs/dbraw/zinc/24/27/64/361242764.db2.gz IDEBUUNCHLTACV-KWQFWETISA-N 1 2 223.276 0.760 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nc1 ZINC000640483965 361273830 /nfs/dbraw/zinc/27/38/30/361273830.db2.gz YSHOZHFVGVXCCK-MWLCHTKSSA-N 1 2 205.261 0.352 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nc1 ZINC000640483965 361273835 /nfs/dbraw/zinc/27/38/35/361273835.db2.gz YSHOZHFVGVXCCK-MWLCHTKSSA-N 1 2 205.261 0.352 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640487751 361280124 /nfs/dbraw/zinc/28/01/24/361280124.db2.gz RWQHAIOVHXGVGQ-SKWCMTHISA-N 1 2 208.265 0.241 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640487751 361280129 /nfs/dbraw/zinc/28/01/29/361280129.db2.gz RWQHAIOVHXGVGQ-SKWCMTHISA-N 1 2 208.265 0.241 20 0 BCADLO CC1(C)C[N@H+](Cc2cnns2)C[C@@H]1O ZINC000306624847 361285157 /nfs/dbraw/zinc/28/51/57/361285157.db2.gz FYHZKGGPEWCMOY-QMMMGPOBSA-N 1 2 213.306 0.741 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnns2)C[C@@H]1O ZINC000306624847 361285159 /nfs/dbraw/zinc/28/51/59/361285159.db2.gz FYHZKGGPEWCMOY-QMMMGPOBSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478694 361255473 /nfs/dbraw/zinc/25/54/73/361255473.db2.gz BLFLSLYHKVQLPS-ZXFLCMHBSA-N 1 2 211.290 0.666 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478694 361255478 /nfs/dbraw/zinc/25/54/78/361255478.db2.gz BLFLSLYHKVQLPS-ZXFLCMHBSA-N 1 2 211.290 0.666 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640478585 361256204 /nfs/dbraw/zinc/25/62/04/361256204.db2.gz WPJKDESUOQKKFW-SKWCMTHISA-N 1 2 209.249 0.506 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640478585 361256207 /nfs/dbraw/zinc/25/62/07/361256207.db2.gz WPJKDESUOQKKFW-SKWCMTHISA-N 1 2 209.249 0.506 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640483395 361258546 /nfs/dbraw/zinc/25/85/46/361258546.db2.gz MYJRZPQXWXZROZ-KWQFWETISA-N 1 2 208.261 0.804 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640483395 361258551 /nfs/dbraw/zinc/25/85/51/361258551.db2.gz MYJRZPQXWXZROZ-KWQFWETISA-N 1 2 208.261 0.804 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483573 361258616 /nfs/dbraw/zinc/25/86/16/361258616.db2.gz WQQWEZJXPYGRAH-SOCHQFKDSA-N 1 2 235.291 0.136 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483573 361258621 /nfs/dbraw/zinc/25/86/21/361258621.db2.gz WQQWEZJXPYGRAH-SOCHQFKDSA-N 1 2 235.291 0.136 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640483313 361259015 /nfs/dbraw/zinc/25/90/15/361259015.db2.gz VVJHFSNKCVBOEL-UFBFGSQYSA-N 1 2 235.287 0.311 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640483313 361259020 /nfs/dbraw/zinc/25/90/20/361259020.db2.gz VVJHFSNKCVBOEL-UFBFGSQYSA-N 1 2 235.287 0.311 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483571 361259202 /nfs/dbraw/zinc/25/92/02/361259202.db2.gz WQQWEZJXPYGRAH-FYBVGQRMSA-N 1 2 235.291 0.136 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483571 361259207 /nfs/dbraw/zinc/25/92/07/361259207.db2.gz WQQWEZJXPYGRAH-FYBVGQRMSA-N 1 2 235.291 0.136 20 0 BCADLO COc1cc(C)[nH+]c(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000640479656 361260519 /nfs/dbraw/zinc/26/05/19/361260519.db2.gz FALQNUNAGXFLBB-GWCFXTLKSA-N 1 2 234.299 0.965 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482361 361267467 /nfs/dbraw/zinc/26/74/67/361267467.db2.gz IUGNEICQQVLHBJ-CABZTGNLSA-N 1 2 220.272 0.274 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482361 361267470 /nfs/dbraw/zinc/26/74/70/361267470.db2.gz IUGNEICQQVLHBJ-CABZTGNLSA-N 1 2 220.272 0.274 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccccn1 ZINC000640486247 361270864 /nfs/dbraw/zinc/27/08/64/361270864.db2.gz LHXZJGGIFVWHAQ-CABZTGNLSA-N 1 2 233.271 0.087 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccccn1 ZINC000640486247 361270865 /nfs/dbraw/zinc/27/08/65/361270865.db2.gz LHXZJGGIFVWHAQ-CABZTGNLSA-N 1 2 233.271 0.087 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2conc2C)C1 ZINC000640486853 361273159 /nfs/dbraw/zinc/27/31/59/361273159.db2.gz UVTXMTZWIGZASU-SNVBAGLBSA-N 1 2 239.275 0.642 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2conc2C)C1 ZINC000640486853 361273161 /nfs/dbraw/zinc/27/31/61/361273161.db2.gz UVTXMTZWIGZASU-SNVBAGLBSA-N 1 2 239.275 0.642 20 0 BCADLO Cc1nccc(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000579055337 366701784 /nfs/dbraw/zinc/70/17/84/366701784.db2.gz MSEQECULLHZCJQ-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000428307384 201007353 /nfs/dbraw/zinc/00/73/53/201007353.db2.gz UKHDGMATGCAZSQ-BDAKNGLRSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000428307384 201007355 /nfs/dbraw/zinc/00/73/55/201007355.db2.gz UKHDGMATGCAZSQ-BDAKNGLRSA-N 1 2 223.324 0.638 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CCC(C)C)[C@H](C)O ZINC000579122085 366716278 /nfs/dbraw/zinc/71/62/78/366716278.db2.gz NPUCNYYLPBPAKH-GARJFASQSA-N 1 2 247.335 0.296 20 0 BCADLO O=C(CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000613215505 361312794 /nfs/dbraw/zinc/31/27/94/361312794.db2.gz VOOZLTKFKJKLSB-JTQLQIEISA-N 1 2 247.298 0.541 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)s1 ZINC000381291941 361316179 /nfs/dbraw/zinc/31/61/79/361316179.db2.gz DLFWIDLUFJAIJY-IMTBSYHQSA-N 1 2 240.332 0.461 20 0 BCADLO CC[C@](C)([NH2+]CCN1CCOCC1)C(=O)OC ZINC000428298331 201007838 /nfs/dbraw/zinc/00/78/38/201007838.db2.gz FMOLOSYJUPAEQR-LBPRGKRZSA-N 1 2 244.335 0.250 20 0 BCADLO Cc1nnc(C[NH2+][C@H](CCO)c2ccco2)[nH]1 ZINC000428417957 201013203 /nfs/dbraw/zinc/01/32/03/201013203.db2.gz ALFZZRFDCIHFCP-SECBINFHSA-N 1 2 236.275 0.919 20 0 BCADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1nccnc1OC ZINC000579194698 366731325 /nfs/dbraw/zinc/73/13/25/366731325.db2.gz KQSDILDVNSDQTK-PSASIEDQSA-N 1 2 223.276 0.752 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428478123 201024045 /nfs/dbraw/zinc/02/40/45/201024045.db2.gz CDXSRMPGTDIQHB-SNVBAGLBSA-N 1 2 240.307 0.350 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428478123 201024048 /nfs/dbraw/zinc/02/40/48/201024048.db2.gz CDXSRMPGTDIQHB-SNVBAGLBSA-N 1 2 240.307 0.350 20 0 BCADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cocn2)CC1=O ZINC000428882183 201047763 /nfs/dbraw/zinc/04/77/63/201047763.db2.gz RCRNFFRMUXLRRR-WCABBAIRSA-N 1 2 235.287 0.774 20 0 BCADLO CCOC1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000428739472 201039143 /nfs/dbraw/zinc/03/91/43/201039143.db2.gz RCJSRWNQJIWRDQ-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cocn2)CC1=O ZINC000428882180 201046976 /nfs/dbraw/zinc/04/69/76/201046976.db2.gz RCRNFFRMUXLRRR-FXPVBKGRSA-N 1 2 235.287 0.774 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(C)n(C)n1 ZINC000429121842 201068720 /nfs/dbraw/zinc/06/87/20/201068720.db2.gz NCIDTHOJCCZQBI-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)n(C)n1 ZINC000429121842 201068723 /nfs/dbraw/zinc/06/87/23/201068723.db2.gz NCIDTHOJCCZQBI-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)NC1CC1 ZINC000614274921 363767369 /nfs/dbraw/zinc/76/73/69/363767369.db2.gz FGFQMHBLNCGPAV-UHFFFAOYSA-N 1 2 244.254 0.551 20 0 BCADLO NC(=O)CCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275699 363767529 /nfs/dbraw/zinc/76/75/29/363767529.db2.gz MZJLCQLHBUQLMH-UHFFFAOYSA-N 1 2 246.270 0.928 20 0 BCADLO COC[C@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276657 363768992 /nfs/dbraw/zinc/76/89/92/363768992.db2.gz VDYIVVVCHFFUSD-LBPRGKRZSA-N 1 2 249.270 0.670 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ncccn1 ZINC000429159172 201073360 /nfs/dbraw/zinc/07/33/60/201073360.db2.gz FGXQEPARPAIXOQ-UWVGGRQHSA-N 1 2 207.277 0.822 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ncccn1 ZINC000429159172 201073363 /nfs/dbraw/zinc/07/33/63/201073363.db2.gz FGXQEPARPAIXOQ-UWVGGRQHSA-N 1 2 207.277 0.822 20 0 BCADLO CCn1ncnc1C[N@H+](C)C1(CO)CCC1 ZINC000429256626 201087255 /nfs/dbraw/zinc/08/72/55/201087255.db2.gz LEPKNQOQQGWTGU-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C1(CO)CCC1 ZINC000429256626 201087260 /nfs/dbraw/zinc/08/72/60/201087260.db2.gz LEPKNQOQQGWTGU-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO COCC[N@H+](C)Cc1nncn1C(C)C ZINC000429276780 201088091 /nfs/dbraw/zinc/08/80/91/201088091.db2.gz UGTQNLSFWLOQAZ-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO COCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429276780 201088094 /nfs/dbraw/zinc/08/80/94/201088094.db2.gz UGTQNLSFWLOQAZ-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnoc1C ZINC000429164113 201077048 /nfs/dbraw/zinc/07/70/48/201077048.db2.gz PPVMDVXUTZTOPQ-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnoc1C ZINC000429164113 201077052 /nfs/dbraw/zinc/07/70/52/201077052.db2.gz PPVMDVXUTZTOPQ-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nnnn1C ZINC000429243258 201082450 /nfs/dbraw/zinc/08/24/50/201082450.db2.gz CYIVFCZVUSXUJJ-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nnnn1C ZINC000429243258 201082451 /nfs/dbraw/zinc/08/24/51/201082451.db2.gz CYIVFCZVUSXUJJ-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cs1 ZINC000579283598 366754178 /nfs/dbraw/zinc/75/41/78/366754178.db2.gz NGIDGZLZJMHUNH-GXSJLCMTSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cs1 ZINC000579283598 366754182 /nfs/dbraw/zinc/75/41/82/366754182.db2.gz NGIDGZLZJMHUNH-GXSJLCMTSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000309858227 491157544 /nfs/dbraw/zinc/15/75/44/491157544.db2.gz LKHPHKLKGUVXIT-SNVBAGLBSA-N 1 2 222.292 0.476 20 0 BCADLO Cc1nnc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1C ZINC000579371669 366772940 /nfs/dbraw/zinc/77/29/40/366772940.db2.gz ULPPDRGJYVAWFL-ZETCQYMHSA-N 1 2 248.290 0.664 20 0 BCADLO Cc1nnc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1C ZINC000579371669 366772944 /nfs/dbraw/zinc/77/29/44/366772944.db2.gz ULPPDRGJYVAWFL-ZETCQYMHSA-N 1 2 248.290 0.664 20 0 BCADLO COCCOCC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429560097 201115265 /nfs/dbraw/zinc/11/52/65/201115265.db2.gz MXCLRRIVVRGOAZ-BZNIZROVSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429560097 201115266 /nfs/dbraw/zinc/11/52/66/201115266.db2.gz MXCLRRIVVRGOAZ-BZNIZROVSA-N 1 2 249.376 0.492 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429636596 201123332 /nfs/dbraw/zinc/12/33/32/201123332.db2.gz UKGVECIBBUSVDH-MWLCHTKSSA-N 1 2 227.304 0.701 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429636596 201123336 /nfs/dbraw/zinc/12/33/36/201123336.db2.gz UKGVECIBBUSVDH-MWLCHTKSSA-N 1 2 227.304 0.701 20 0 BCADLO Cc1nsc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000381454754 361467410 /nfs/dbraw/zinc/46/74/10/361467410.db2.gz HXUCZJUNAOXBHC-QMMMGPOBSA-N 1 2 242.348 0.401 20 0 BCADLO Cc1nsc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000381454754 361467413 /nfs/dbraw/zinc/46/74/13/361467413.db2.gz HXUCZJUNAOXBHC-QMMMGPOBSA-N 1 2 242.348 0.401 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]1c1cccnc1 ZINC000614365646 363795329 /nfs/dbraw/zinc/79/53/29/363795329.db2.gz IOXXOHCIIQSIOR-NEPJUHHUSA-N 1 2 242.282 0.950 20 0 BCADLO CS[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000448545770 201199584 /nfs/dbraw/zinc/19/95/84/201199584.db2.gz LQONOOAGSJZTEK-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO CS[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000448545770 201199587 /nfs/dbraw/zinc/19/95/87/201199587.db2.gz LQONOOAGSJZTEK-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426817 361531665 /nfs/dbraw/zinc/53/16/65/361531665.db2.gz FOGSQDWYWROECK-JGVFFNPUSA-N 1 2 243.307 0.069 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426817 361531670 /nfs/dbraw/zinc/53/16/70/361531670.db2.gz FOGSQDWYWROECK-JGVFFNPUSA-N 1 2 243.307 0.069 20 0 BCADLO C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1O ZINC000433767966 201194581 /nfs/dbraw/zinc/19/45/81/201194581.db2.gz ZTNNKQAOXMYYKV-QWRGUYRKSA-N 1 2 248.330 0.894 20 0 BCADLO C[C@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@@H]1O ZINC000433767966 201194585 /nfs/dbraw/zinc/19/45/85/201194585.db2.gz ZTNNKQAOXMYYKV-QWRGUYRKSA-N 1 2 248.330 0.894 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551625 201227183 /nfs/dbraw/zinc/22/71/83/201227183.db2.gz CQSWMZDUEJFBLX-KXUCPTDWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551625 201227186 /nfs/dbraw/zinc/22/71/86/201227186.db2.gz CQSWMZDUEJFBLX-KXUCPTDWSA-N 1 2 212.293 0.374 20 0 BCADLO CC1(C)C[N@H+](C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000434545574 201227569 /nfs/dbraw/zinc/22/75/69/201227569.db2.gz ZFIZLBHQBWNRPY-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO CC1(C)C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000434545574 201227570 /nfs/dbraw/zinc/22/75/70/201227570.db2.gz ZFIZLBHQBWNRPY-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551626 201227657 /nfs/dbraw/zinc/22/76/57/201227657.db2.gz CQSWMZDUEJFBLX-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551626 201227661 /nfs/dbraw/zinc/22/76/61/201227661.db2.gz CQSWMZDUEJFBLX-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000629685242 361607231 /nfs/dbraw/zinc/60/72/31/361607231.db2.gz JNAWCBGOAWSPPT-MGCOHNPYSA-N 1 2 223.276 0.567 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000629686895 361609521 /nfs/dbraw/zinc/60/95/21/361609521.db2.gz ZDWHSJUIKAINPG-ZKCHVHJHSA-N 1 2 209.249 0.625 20 0 BCADLO C[C@@H]1OCC[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000434482079 201222173 /nfs/dbraw/zinc/22/21/73/201222173.db2.gz RFBQGFCLXRIPCL-GARJFASQSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1OCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000434482079 201222176 /nfs/dbraw/zinc/22/21/76/201222176.db2.gz RFBQGFCLXRIPCL-GARJFASQSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CO2)n1cc[nH+]c1 ZINC000629703082 361637238 /nfs/dbraw/zinc/63/72/38/361637238.db2.gz ZCSHKZUXRYMCMX-DCAQKATOSA-N 1 2 235.287 0.834 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000435970407 201302560 /nfs/dbraw/zinc/30/25/60/201302560.db2.gz WOGPRGDZSLMLRN-ADEWGFFLSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000435970408 201303210 /nfs/dbraw/zinc/30/32/10/201303210.db2.gz WOGPRGDZSLMLRN-ZMLRMANQSA-N 1 2 238.331 0.622 20 0 BCADLO O[C@H]1CCCN(c2ncc(-c3c[nH]c[nH+]3)cn2)C1 ZINC000629760199 361686899 /nfs/dbraw/zinc/68/68/99/361686899.db2.gz FDVLYRYMVPSYIQ-JTQLQIEISA-N 1 2 245.286 0.828 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629767253 361690233 /nfs/dbraw/zinc/69/02/33/361690233.db2.gz JCJSQOHJTOMCQS-UFGOTCBOSA-N 1 2 249.314 0.334 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000436191410 201313175 /nfs/dbraw/zinc/31/31/75/201313175.db2.gz XUSMJXPDPZVYLR-UTUOFQBUSA-N 1 2 240.347 0.822 20 0 BCADLO CCNC(=O)CNc1cc[nH+]c2ccncc12 ZINC000436196425 201314317 /nfs/dbraw/zinc/31/43/17/201314317.db2.gz HHWZZOZDNXHBFS-UHFFFAOYSA-N 1 2 230.271 0.600 20 0 BCADLO FCC[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000437245251 201347429 /nfs/dbraw/zinc/34/74/29/201347429.db2.gz PBFDKKXLMQILIW-UHFFFAOYSA-N 1 2 235.266 0.781 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)[C@@H](O)C(F)(F)F ZINC000631231828 361728820 /nfs/dbraw/zinc/72/88/20/361728820.db2.gz LHGSLZJHIALQBO-IYSWYEEDSA-N 1 2 223.198 0.811 20 0 BCADLO C[C@@H](CO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579482948 366828160 /nfs/dbraw/zinc/82/81/60/366828160.db2.gz LBUPMUGCULQVLY-UWVGGRQHSA-N 1 2 225.292 0.673 20 0 BCADLO CCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000614544726 363841916 /nfs/dbraw/zinc/84/19/16/363841916.db2.gz AOZCYMLKNFVJMN-UHFFFAOYSA-N 1 2 223.276 0.244 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCN1 ZINC000614734623 363943262 /nfs/dbraw/zinc/94/32/62/363943262.db2.gz FZBVVNZRHNHHJF-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCN1 ZINC000614735398 363945178 /nfs/dbraw/zinc/94/51/78/363945178.db2.gz XGYXXJIUESTSDK-JTQLQIEISA-N 1 2 234.303 0.573 20 0 BCADLO COCCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000291359181 541309320 /nfs/dbraw/zinc/30/93/20/541309320.db2.gz YDYQCLOIPQHYFG-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(CO)CC1 ZINC000614763615 363957164 /nfs/dbraw/zinc/95/71/64/363957164.db2.gz PAGFVXMHDKAYDI-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(CO)CC1 ZINC000614763615 363957166 /nfs/dbraw/zinc/95/71/66/363957166.db2.gz PAGFVXMHDKAYDI-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1(CO)CC1 ZINC000614769129 363960117 /nfs/dbraw/zinc/96/01/17/363960117.db2.gz DXHWUOGOJLLGSN-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC=CC1 ZINC000630409130 364141673 /nfs/dbraw/zinc/14/16/73/364141673.db2.gz DNUHOWGIMPOMQI-SNVBAGLBSA-N 1 2 220.276 0.853 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC=CC1 ZINC000630409213 364141989 /nfs/dbraw/zinc/14/19/89/364141989.db2.gz HTANRVAOTKHCGW-UHFFFAOYSA-N 1 2 206.249 0.465 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C ZINC000630396639 364122268 /nfs/dbraw/zinc/12/22/68/364122268.db2.gz PIGQYTRGHLIRLO-SECBINFHSA-N 1 2 229.324 0.415 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C ZINC000630396639 364122270 /nfs/dbraw/zinc/12/22/70/364122270.db2.gz PIGQYTRGHLIRLO-SECBINFHSA-N 1 2 229.324 0.415 20 0 BCADLO Cc1nocc1CNC(=O)NCCn1cc[nH+]c1 ZINC000630400509 364123892 /nfs/dbraw/zinc/12/38/92/364123892.db2.gz HTAFRUDKPUSKMO-UHFFFAOYSA-N 1 2 249.274 0.679 20 0 BCADLO Cc1nc(C)c(C(=O)NCCc2cn(C)c[nH+]2)[nH]1 ZINC000622099877 370708752 /nfs/dbraw/zinc/70/87/52/370708752.db2.gz YUQBQCYDROYYFG-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO CC[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC000622133858 370728714 /nfs/dbraw/zinc/72/87/14/370728714.db2.gz MWUURGFPYJLITQ-PSASIEDQSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H](C)O ZINC000622133858 370728720 /nfs/dbraw/zinc/72/87/20/370728720.db2.gz MWUURGFPYJLITQ-PSASIEDQSA-N 1 2 225.292 0.775 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(F)ccn2)C1 ZINC000622153900 370740918 /nfs/dbraw/zinc/74/09/18/370740918.db2.gz TXAIFMYTCJXVTC-VIFPVBQESA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(F)ccn2)C1 ZINC000622153900 370740925 /nfs/dbraw/zinc/74/09/25/370740925.db2.gz TXAIFMYTCJXVTC-VIFPVBQESA-N 1 2 239.250 0.490 20 0 BCADLO CC1(C)C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000076431006 364390852 /nfs/dbraw/zinc/39/08/52/364390852.db2.gz MXFBHJJYWXCYSF-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000076431006 364390856 /nfs/dbraw/zinc/39/08/56/364390856.db2.gz MXFBHJJYWXCYSF-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO O=C(Cc1cscn1)N1CCn2c[nH+]cc2C1 ZINC000615040071 364408622 /nfs/dbraw/zinc/40/86/22/364408622.db2.gz ZXRSDAGYXKIOSH-UHFFFAOYSA-N 1 2 248.311 0.925 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000134389288 364401745 /nfs/dbraw/zinc/40/17/45/364401745.db2.gz XJELPDCNIHCFRC-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)[C@H](C)O1 ZINC000630735943 364524494 /nfs/dbraw/zinc/52/44/94/364524494.db2.gz XZYFKOWMTSFPDC-VWYCJHECSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](C)O1 ZINC000630735940 364524632 /nfs/dbraw/zinc/52/46/32/364524632.db2.gz XZYFKOWMTSFPDC-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO Cc1nocc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000630747207 364533862 /nfs/dbraw/zinc/53/38/62/364533862.db2.gz MXJACWXJRINCBG-QMMMGPOBSA-N 1 2 234.259 0.998 20 0 BCADLO C[C@@H](NC(=O)C(=O)NCC1CC1)c1[nH]cc[nH+]1 ZINC000615158595 364549315 /nfs/dbraw/zinc/54/93/15/364549315.db2.gz RXECPVCMIIDWIW-SSDOTTSWSA-N 1 2 236.275 0.113 20 0 BCADLO C[C@@H](NC(=O)[C@@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000615159356 364551139 /nfs/dbraw/zinc/55/11/39/364551139.db2.gz ZRMSRGDETAZMJT-APPZFPTMSA-N 1 2 223.276 0.748 20 0 BCADLO CN(C(=O)C1([NH+]2CCOCC2)CC1)C1CC1 ZINC000630834901 364587232 /nfs/dbraw/zinc/58/72/32/364587232.db2.gz WFFJKSGSXPQEHQ-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615296965 364678765 /nfs/dbraw/zinc/67/87/65/364678765.db2.gz ULCQVNGTYNANKD-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615296965 364678770 /nfs/dbraw/zinc/67/87/70/364678770.db2.gz ULCQVNGTYNANKD-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO Cc1ncc(CNC(=O)Cn2cc[nH+]c2)c(=O)[nH]1 ZINC000567543834 364741453 /nfs/dbraw/zinc/74/14/53/364741453.db2.gz KMTRNKSSOMLNBM-UHFFFAOYSA-N 1 2 247.258 0.004 20 0 BCADLO CCc1nc(N2CC(O)(COC)C2)cc(C)[nH+]1 ZINC000295092961 364778669 /nfs/dbraw/zinc/77/86/69/364778669.db2.gz ZKLFMNAJTYBYSB-UHFFFAOYSA-N 1 2 237.303 0.545 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]1C1CC1 ZINC000573499651 364848336 /nfs/dbraw/zinc/84/83/36/364848336.db2.gz KVJYJPDWOKXVLE-JTQLQIEISA-N 1 2 205.261 0.894 20 0 BCADLO CCCN1CCC[N@H+](Cc2cnccn2)CC1=O ZINC000573542072 364856284 /nfs/dbraw/zinc/85/62/84/364856284.db2.gz JPPIXPQUAYQAPP-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO CCCN1CCC[N@@H+](Cc2cnccn2)CC1=O ZINC000573542072 364856288 /nfs/dbraw/zinc/85/62/88/364856288.db2.gz JPPIXPQUAYQAPP-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000573449308 364836540 /nfs/dbraw/zinc/83/65/40/364836540.db2.gz RFCBSRHGQRLVAS-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCC(=O)NC)C1 ZINC000573455617 364837631 /nfs/dbraw/zinc/83/76/31/364837631.db2.gz LCAGNERBDVPYGE-UHFFFAOYSA-N 1 2 227.308 0.024 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCC(=O)NC)C1 ZINC000573455617 364837638 /nfs/dbraw/zinc/83/76/38/364837638.db2.gz LCAGNERBDVPYGE-UHFFFAOYSA-N 1 2 227.308 0.024 20 0 BCADLO Cc1ncc(C[NH2+]CCC[NH+]2CCC2)n1C ZINC000573460570 364840759 /nfs/dbraw/zinc/84/07/59/364840759.db2.gz VVGJMECBOKJYSJ-UHFFFAOYSA-N 1 2 222.336 0.914 20 0 BCADLO CC[C@@](C)(CO)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000573739421 364906437 /nfs/dbraw/zinc/90/64/37/364906437.db2.gz MKSWJYMZLMIYBI-NSHDSACASA-N 1 2 225.292 0.777 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)CC(N)=O)C(=O)OC(C)(C)C ZINC000573749072 364909386 /nfs/dbraw/zinc/90/93/86/364909386.db2.gz NLWWQHKSWICDQE-RKDXNWHRSA-N 1 2 244.335 0.960 20 0 BCADLO CC[C@](C)(NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000573857665 364932227 /nfs/dbraw/zinc/93/22/27/364932227.db2.gz BUZLLYYSAICDTH-NSHDSACASA-N 1 2 239.275 0.341 20 0 BCADLO CC1(C(N)=O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000573916589 364943756 /nfs/dbraw/zinc/94/37/56/364943756.db2.gz RSIDIBMAMCMRHR-UHFFFAOYSA-N 1 2 232.287 0.666 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccn1 ZINC000623259866 541426114 /nfs/dbraw/zinc/42/61/14/541426114.db2.gz MYKXPZPCFJVZFZ-LLVKDONJSA-N 1 2 242.282 0.941 20 0 BCADLO CC(=O)c1cc(C[N@H+](CCO)C2CC2)on1 ZINC000574023480 364969422 /nfs/dbraw/zinc/96/94/22/364969422.db2.gz YIXCKPVRMKVJDH-UHFFFAOYSA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@@H+](CCO)C2CC2)on1 ZINC000574023480 364969428 /nfs/dbraw/zinc/96/94/28/364969428.db2.gz YIXCKPVRMKVJDH-UHFFFAOYSA-N 1 2 224.260 0.834 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCc1[nH]cc[nH+]1 ZINC000574097563 364987670 /nfs/dbraw/zinc/98/76/70/364987670.db2.gz AQXICMCNXFCXFG-JTQLQIEISA-N 1 2 211.265 0.435 20 0 BCADLO C[C@H](CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)n1cc[nH+]c1 ZINC000574212035 365012225 /nfs/dbraw/zinc/01/22/25/365012225.db2.gz GIJPJUDFVLHDIV-SVDPJWKOSA-N 1 2 235.287 0.595 20 0 BCADLO [NH3+]CCCNC(=O)c1cc(F)c(F)c(O)c1F ZINC000019836447 181382341 /nfs/dbraw/zinc/38/23/41/181382341.db2.gz MFPUBGWBASTETO-UHFFFAOYSA-N 1 2 248.204 0.888 20 0 BCADLO OCc1nnn2c1C[N@H+](CCCCF)CC2 ZINC000574330350 365038726 /nfs/dbraw/zinc/03/87/26/365038726.db2.gz SFADLAIXZWFWIO-UHFFFAOYSA-N 1 2 228.271 0.336 20 0 BCADLO OCc1nnn2c1C[N@@H+](CCCCF)CC2 ZINC000574330350 365038734 /nfs/dbraw/zinc/03/87/34/365038734.db2.gz SFADLAIXZWFWIO-UHFFFAOYSA-N 1 2 228.271 0.336 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1(C2CC2)CC1 ZINC000574572625 365093493 /nfs/dbraw/zinc/09/34/93/365093493.db2.gz NHVOIVGPCSCNEW-UHFFFAOYSA-N 1 2 205.261 0.942 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](O)C(C)C ZINC000574651346 365114844 /nfs/dbraw/zinc/11/48/44/365114844.db2.gz PQJKKJVZXZRQJP-SNVBAGLBSA-N 1 2 225.292 0.536 20 0 BCADLO CN(CCCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574693545 365123769 /nfs/dbraw/zinc/12/37/69/365123769.db2.gz HIZKXWVJAQXEDW-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO Cc1cn2c([nH+]1)[C@@H](CNC(N)=O)CCC2 ZINC000443391775 193018867 /nfs/dbraw/zinc/01/88/67/193018867.db2.gz IIZWUMAVTFHRAK-MRVPVSSYSA-N 1 2 208.265 0.737 20 0 BCADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1nc[nH]n1 ZINC000575063987 365183895 /nfs/dbraw/zinc/18/38/95/365183895.db2.gz NBKWNCHPLCPBEM-DTWKUNHWSA-N 1 2 248.290 0.830 20 0 BCADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1nnc[nH]1 ZINC000575063987 365183902 /nfs/dbraw/zinc/18/39/02/365183902.db2.gz NBKWNCHPLCPBEM-DTWKUNHWSA-N 1 2 248.290 0.830 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000443866190 193031222 /nfs/dbraw/zinc/03/12/22/193031222.db2.gz YVEBXWGDDQDNRX-MRVPVSSYSA-N 1 2 247.345 0.006 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000443866190 193031225 /nfs/dbraw/zinc/03/12/25/193031225.db2.gz YVEBXWGDDQDNRX-MRVPVSSYSA-N 1 2 247.345 0.006 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)c1ccccn1 ZINC000443896037 193031953 /nfs/dbraw/zinc/03/19/53/193031953.db2.gz BACADEMAOCULEC-UHFFFAOYSA-N 1 2 237.284 0.789 20 0 BCADLO Cc1cn2c([nH+]1)[C@H](CNC(N)=O)CCC2 ZINC000443391776 193019053 /nfs/dbraw/zinc/01/90/53/193019053.db2.gz IIZWUMAVTFHRAK-QMMMGPOBSA-N 1 2 208.265 0.737 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000157768984 193024153 /nfs/dbraw/zinc/02/41/53/193024153.db2.gz AOGYIPNGIZTNDS-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000157768984 193024154 /nfs/dbraw/zinc/02/41/54/193024154.db2.gz AOGYIPNGIZTNDS-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000171861380 365249037 /nfs/dbraw/zinc/24/90/37/365249037.db2.gz MKKAULOCCHKQFE-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000575244021 365269147 /nfs/dbraw/zinc/26/91/47/365269147.db2.gz KKDGKPRMAUQDJZ-UHFFFAOYSA-N 1 2 210.281 0.386 20 0 BCADLO CCCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000575244021 365269150 /nfs/dbraw/zinc/26/91/50/365269150.db2.gz KKDGKPRMAUQDJZ-UHFFFAOYSA-N 1 2 210.281 0.386 20 0 BCADLO CN1CC[N@H+](Cc2ncccc2O)CC1=O ZINC000575368108 365303517 /nfs/dbraw/zinc/30/35/17/365303517.db2.gz UQUAEBQBLPYRGX-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO CN1CC[N@@H+](Cc2ncccc2O)CC1=O ZINC000575368108 365303521 /nfs/dbraw/zinc/30/35/21/365303521.db2.gz UQUAEBQBLPYRGX-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO CN(C(=O)C[NH+]1CC(C)(C)C1)C(C)(C)C(N)=O ZINC000575760438 365357003 /nfs/dbraw/zinc/35/70/03/365357003.db2.gz OLQANMSNZVQFDA-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccco1 ZINC000575797782 365365173 /nfs/dbraw/zinc/36/51/73/365365173.db2.gz GIZLCVUPMVCZJU-UHFFFAOYSA-N 1 2 219.244 0.835 20 0 BCADLO COCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000575636602 365342113 /nfs/dbraw/zinc/34/21/13/365342113.db2.gz GUPHDWPAVGEHQO-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nncn1C ZINC000172587499 365343477 /nfs/dbraw/zinc/34/34/77/365343477.db2.gz DJPIBBYWJKGNQB-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nncn1C ZINC000172587499 365343481 /nfs/dbraw/zinc/34/34/81/365343481.db2.gz DJPIBBYWJKGNQB-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccncc1 ZINC000576051071 365465026 /nfs/dbraw/zinc/46/50/26/365465026.db2.gz CEDQOXQBPHLAMH-SNVBAGLBSA-N 1 2 232.291 0.846 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccncc1 ZINC000576051070 365465042 /nfs/dbraw/zinc/46/50/42/365465042.db2.gz CEDQOXQBPHLAMH-JTQLQIEISA-N 1 2 232.291 0.846 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cnn(C)c1 ZINC000576170365 365508903 /nfs/dbraw/zinc/50/89/03/365508903.db2.gz HSGVDLDFFZMVTH-VIFPVBQESA-N 1 2 247.302 0.985 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cnn(C)c1 ZINC000576170365 365508905 /nfs/dbraw/zinc/50/89/05/365508905.db2.gz HSGVDLDFFZMVTH-VIFPVBQESA-N 1 2 247.302 0.985 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000579615874 366911031 /nfs/dbraw/zinc/91/10/31/366911031.db2.gz WEEJIJQRANTDTG-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CCCNC(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000579615874 366911034 /nfs/dbraw/zinc/91/10/34/366911034.db2.gz WEEJIJQRANTDTG-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO Cn1cnnc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000579626392 366915489 /nfs/dbraw/zinc/91/54/89/366915489.db2.gz WDZXXBVKMGEWPL-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1nnc2ccccn21 ZINC000182670972 366929073 /nfs/dbraw/zinc/92/90/73/366929073.db2.gz WTPMDWQSUNSAOR-IUCAKERBSA-N 1 2 245.286 0.268 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000440540285 201490254 /nfs/dbraw/zinc/49/02/54/201490254.db2.gz XTYMXVFHCKJBCA-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000440540285 201490257 /nfs/dbraw/zinc/49/02/57/201490257.db2.gz XTYMXVFHCKJBCA-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO CC(C)SCC[N@@H+]1CCN(C)C(=O)C1 ZINC000579862805 367057420 /nfs/dbraw/zinc/05/74/20/367057420.db2.gz JCSHNOKWICCSDI-UHFFFAOYSA-N 1 2 216.350 0.902 20 0 BCADLO CC(C)SCC[N@H+]1CCN(C)C(=O)C1 ZINC000579862805 367057427 /nfs/dbraw/zinc/05/74/27/367057427.db2.gz JCSHNOKWICCSDI-UHFFFAOYSA-N 1 2 216.350 0.902 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579977189 367112686 /nfs/dbraw/zinc/11/26/86/367112686.db2.gz ZULFKAUTPGLDQH-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C[S@@](C)=O)N(C)Cc1[nH+]ccn1C ZINC000185126710 367118985 /nfs/dbraw/zinc/11/89/85/367118985.db2.gz MRASLDKFYXVEFY-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000185167859 367123815 /nfs/dbraw/zinc/12/38/15/367123815.db2.gz FJSWSUQMGSVPHU-SECBINFHSA-N 1 2 224.308 0.571 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000185167859 367123819 /nfs/dbraw/zinc/12/38/19/367123819.db2.gz FJSWSUQMGSVPHU-SECBINFHSA-N 1 2 224.308 0.571 20 0 BCADLO Cc1ccc(NC(=O)NC2(C(N)=O)CC2)c(C)[nH+]1 ZINC000185398690 367130076 /nfs/dbraw/zinc/13/00/76/367130076.db2.gz SQRSGIBVONPASG-UHFFFAOYSA-N 1 2 248.286 0.838 20 0 BCADLO COCC1(O)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000579925068 367083901 /nfs/dbraw/zinc/08/39/01/367083901.db2.gz ZAHDNXTXEBEWAT-UHFFFAOYSA-N 1 2 247.298 0.527 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579964317 367106224 /nfs/dbraw/zinc/10/62/24/367106224.db2.gz CCFXRBLFHJKCFF-IUCAKERBSA-N 1 2 239.275 0.512 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)Cc1c[nH+]cn1C ZINC000580807922 367170421 /nfs/dbraw/zinc/17/04/21/367170421.db2.gz FIRYSDCHTFIEJW-SNVBAGLBSA-N 1 2 239.319 0.846 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)Cc1c[nH+]cn1C ZINC000580807921 367170703 /nfs/dbraw/zinc/17/07/03/367170703.db2.gz FIRYSDCHTFIEJW-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO Cc1ccn(CC(=O)NCCn2cc[nH+]c2)n1 ZINC000622308187 370837234 /nfs/dbraw/zinc/83/72/34/370837234.db2.gz XKLIWLSGGGDWBF-UHFFFAOYSA-N 1 2 233.275 0.204 20 0 BCADLO CC[C@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000622283974 370818710 /nfs/dbraw/zinc/81/87/10/370818710.db2.gz JEYVWKSZJKJMSA-VIFPVBQESA-N 1 2 225.292 0.540 20 0 BCADLO CN(C)[C@H](C(=O)N1CCC1)c1c[nH+]cn1C ZINC000622285281 370821887 /nfs/dbraw/zinc/82/18/87/370821887.db2.gz IWTBRGWFIOIRAI-JTQLQIEISA-N 1 2 222.292 0.255 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H](O)C1CCC1 ZINC000622284045 370822466 /nfs/dbraw/zinc/82/24/66/370822466.db2.gz MKBPJQIVFJLSNR-LLVKDONJSA-N 1 2 237.303 0.540 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000580772611 367158805 /nfs/dbraw/zinc/15/88/05/367158805.db2.gz KKZGLNMIUGVTEG-VXNVDRBHSA-N 1 2 243.332 0.420 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC1 ZINC000622291437 370826079 /nfs/dbraw/zinc/82/60/79/370826079.db2.gz LLLDEYNSSLZSNS-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC1 ZINC000622291437 370826081 /nfs/dbraw/zinc/82/60/81/370826081.db2.gz LLLDEYNSSLZSNS-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000580784665 367159265 /nfs/dbraw/zinc/15/92/65/367159265.db2.gz ZADIIKIMUIISFS-VIFPVBQESA-N 1 2 214.309 0.215 20 0 BCADLO CC(=O)c1cc(CN2CC[NH+](C)CC2)on1 ZINC000580899919 367201774 /nfs/dbraw/zinc/20/17/74/367201774.db2.gz FIERIWYXGNMQEV-UHFFFAOYSA-N 1 2 223.276 0.625 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000580953681 367217238 /nfs/dbraw/zinc/21/72/38/367217238.db2.gz BMCPBODMHZIMQF-JMJZKYOTSA-N 1 2 235.287 0.085 20 0 BCADLO CS[C@@H](CO)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000380697929 367281031 /nfs/dbraw/zinc/28/10/31/367281031.db2.gz KIQKGCKSFFWBBC-IUCAKERBSA-N 1 2 243.332 0.112 20 0 BCADLO C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581016415 367236843 /nfs/dbraw/zinc/23/68/43/367236843.db2.gz RFXPBMNLNDMSDI-IUCAKERBSA-N 1 2 211.265 0.331 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000581188441 367288747 /nfs/dbraw/zinc/28/87/47/367288747.db2.gz PIZWNWNLXMFNJN-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000581188441 367288752 /nfs/dbraw/zinc/28/87/52/367288752.db2.gz PIZWNWNLXMFNJN-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO COC(=O)Cn1cc(C[NH+]2[C@@H](C)C[C@@H]2C)nn1 ZINC000581231532 367301586 /nfs/dbraw/zinc/30/15/86/367301586.db2.gz MMOMTCJHADLLAR-IUCAKERBSA-N 1 2 238.291 0.434 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000581261580 367313955 /nfs/dbraw/zinc/31/39/55/367313955.db2.gz IRQXYPAUGKNYKG-ZJUUUORDSA-N 1 2 228.336 0.868 20 0 BCADLO CCn1ccnc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000381453902 367407601 /nfs/dbraw/zinc/40/76/01/367407601.db2.gz INVGKIUJKRTFEV-SECBINFHSA-N 1 2 245.348 0.426 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC(C)(C)O1 ZINC000581403366 367432274 /nfs/dbraw/zinc/43/22/74/367432274.db2.gz AOQSNBGXJDGWQG-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO CCn1cc[nH+]c1CN1CC(C)(C(=O)OC)C1 ZINC000581485116 367515784 /nfs/dbraw/zinc/51/57/84/367515784.db2.gz SFOKDSWFSVHLBL-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO CCn1nncc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000581615821 367636740 /nfs/dbraw/zinc/63/67/40/367636740.db2.gz UJBPHJMXPUXFLZ-LBPRGKRZSA-N 1 2 249.318 0.153 20 0 BCADLO CCn1nncc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000581615821 367636745 /nfs/dbraw/zinc/63/67/45/367636745.db2.gz UJBPHJMXPUXFLZ-LBPRGKRZSA-N 1 2 249.318 0.153 20 0 BCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000383580673 367640639 /nfs/dbraw/zinc/64/06/39/367640639.db2.gz LUHPZSAYSWSSBT-QWRGUYRKSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581610232 367633040 /nfs/dbraw/zinc/63/30/40/367633040.db2.gz FMDQOXFGIZTCGO-JFGNBEQYSA-N 1 2 249.314 0.427 20 0 BCADLO C[C@H](O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000384026247 367667739 /nfs/dbraw/zinc/66/77/39/367667739.db2.gz RXXJWLVBMDMQSV-JTQLQIEISA-N 1 2 237.303 0.503 20 0 BCADLO CC[C@@H](O)CC(=O)NCc1[nH+]ccn1C ZINC000622353533 370863204 /nfs/dbraw/zinc/86/32/04/370863204.db2.gz ROHRNBIYKZPWIN-MRVPVSSYSA-N 1 2 211.265 0.197 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000440790891 201520266 /nfs/dbraw/zinc/52/02/66/201520266.db2.gz MRMBWVFABFQSLT-VHSXEESVSA-N 1 2 232.299 0.260 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CCCCO ZINC000384985384 367769501 /nfs/dbraw/zinc/76/95/01/367769501.db2.gz WKTIRYYVTSKNLR-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CCCCO ZINC000384985384 367769506 /nfs/dbraw/zinc/76/95/06/367769506.db2.gz WKTIRYYVTSKNLR-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO C[C@H](Cc1cnn(C)c1)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384550 370881646 /nfs/dbraw/zinc/88/16/46/370881646.db2.gz KHKVOIUFHNJCNU-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO C[C@H](Cc1cnn(C)c1)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384550 370881655 /nfs/dbraw/zinc/88/16/55/370881655.db2.gz KHKVOIUFHNJCNU-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H](O)C1CCC1 ZINC000622366891 370872086 /nfs/dbraw/zinc/87/20/86/370872086.db2.gz SXQXNOVCQXFXDZ-SECBINFHSA-N 1 2 209.249 0.187 20 0 BCADLO CC[C@H](O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000622372170 370875574 /nfs/dbraw/zinc/87/55/74/370875574.db2.gz DVMFOMXMOGFDOW-JTQLQIEISA-N 1 2 223.276 0.427 20 0 BCADLO CC1(O)CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000622372264 370876467 /nfs/dbraw/zinc/87/64/67/370876467.db2.gz HAQNOMNQXCSSRS-UHFFFAOYSA-N 1 2 235.287 0.427 20 0 BCADLO OC1C[NH+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000581771751 367825034 /nfs/dbraw/zinc/82/50/34/367825034.db2.gz UIECGOCXLKEUIC-UHFFFAOYSA-N 1 2 248.261 0.583 20 0 BCADLO CNC(=O)NC1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000581836493 367841133 /nfs/dbraw/zinc/84/11/33/367841133.db2.gz VSLSGKOVJOTEGT-UHFFFAOYSA-N 1 2 249.318 0.718 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)CO ZINC000581893960 367884048 /nfs/dbraw/zinc/88/40/48/367884048.db2.gz FCMCLLCQVRGUGP-RKDXNWHRSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)CO ZINC000581893960 367884052 /nfs/dbraw/zinc/88/40/52/367884052.db2.gz FCMCLLCQVRGUGP-RKDXNWHRSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](CC(=O)N1CCOCCN1)n1cc[nH+]c1 ZINC000615483498 368059070 /nfs/dbraw/zinc/05/90/70/368059070.db2.gz NDZBEKSKPYNNIT-SNVBAGLBSA-N 1 2 238.291 0.198 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)O ZINC000387183041 368098379 /nfs/dbraw/zinc/09/83/79/368098379.db2.gz VLUYPVQUTWVUDL-RKDXNWHRSA-N 1 2 211.265 0.159 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCOC1 ZINC000615765804 368291182 /nfs/dbraw/zinc/29/11/82/368291182.db2.gz YNSIUZOGZWGIAE-QMMMGPOBSA-N 1 2 221.260 0.331 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCOC1 ZINC000615765804 368291188 /nfs/dbraw/zinc/29/11/88/368291188.db2.gz YNSIUZOGZWGIAE-QMMMGPOBSA-N 1 2 221.260 0.331 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000046774026 368449488 /nfs/dbraw/zinc/44/94/88/368449488.db2.gz IDEXRFUPWLPYCN-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)N1CCCCC1 ZINC000046774026 368449492 /nfs/dbraw/zinc/44/94/92/368449492.db2.gz IDEXRFUPWLPYCN-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000046774213 368449546 /nfs/dbraw/zinc/44/95/46/368449546.db2.gz CGCSZOQBIHIHAE-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000046774213 368449548 /nfs/dbraw/zinc/44/95/48/368449548.db2.gz CGCSZOQBIHIHAE-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCOCCCC(=O)NCC[NH+]1CCOCC1 ZINC000047056930 368455821 /nfs/dbraw/zinc/45/58/21/368455821.db2.gz SKCZTZXVMTUDSA-UHFFFAOYSA-N 1 2 244.335 0.252 20 0 BCADLO CC(C)CCOCC[N@@H+]1CCNC(=O)C1 ZINC000056267639 368466858 /nfs/dbraw/zinc/46/68/58/368466858.db2.gz WKAOEFYIKXVLMD-UHFFFAOYSA-N 1 2 214.309 0.481 20 0 BCADLO CC(C)CCOCC[N@H+]1CCNC(=O)C1 ZINC000056267639 368466867 /nfs/dbraw/zinc/46/68/67/368466867.db2.gz WKAOEFYIKXVLMD-UHFFFAOYSA-N 1 2 214.309 0.481 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)NCCO)cn2c1 ZINC000057229081 368488155 /nfs/dbraw/zinc/48/81/55/368488155.db2.gz HASXUPDETHZWNL-UHFFFAOYSA-N 1 2 248.286 0.434 20 0 BCADLO Cn1cc[nH+]c1CN1CCN(C(=O)C2CC2)CC1 ZINC000057598875 368496364 /nfs/dbraw/zinc/49/63/64/368496364.db2.gz YOYITYFGLGRUAB-UHFFFAOYSA-N 1 2 248.330 0.474 20 0 BCADLO CCOc1nnc(CN2CC[NH+](C)CC2)s1 ZINC000063481817 368585844 /nfs/dbraw/zinc/58/58/44/368585844.db2.gz DVHMLANSDYQJLU-UHFFFAOYSA-N 1 2 242.348 0.684 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247991 368600650 /nfs/dbraw/zinc/60/06/50/368600650.db2.gz FSDMNSXNJJAGBQ-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064247991 368600652 /nfs/dbraw/zinc/60/06/52/368600652.db2.gz FSDMNSXNJJAGBQ-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)OC ZINC000065297497 368620943 /nfs/dbraw/zinc/62/09/43/368620943.db2.gz XUJININXOFASCC-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)OC ZINC000065297497 368620947 /nfs/dbraw/zinc/62/09/47/368620947.db2.gz XUJININXOFASCC-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC12COC2 ZINC000615920626 368666367 /nfs/dbraw/zinc/66/63/67/368666367.db2.gz DCJBNAUAGMVYOY-JTQLQIEISA-N 1 2 247.298 0.447 20 0 BCADLO C[C@@H](CC(=O)N1CCC12COC2)n1cc[nH+]c1 ZINC000615915934 368655297 /nfs/dbraw/zinc/65/52/97/368655297.db2.gz FGUYNTMKBFWLIP-JTQLQIEISA-N 1 2 235.287 0.836 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000066695507 368658406 /nfs/dbraw/zinc/65/84/06/368658406.db2.gz LVHHYGJIKMBSJR-JTQLQIEISA-N 1 2 243.351 0.167 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000066695507 368658411 /nfs/dbraw/zinc/65/84/11/368658411.db2.gz LVHHYGJIKMBSJR-JTQLQIEISA-N 1 2 243.351 0.167 20 0 BCADLO Cc1cc(C)c(Cn2c(=O)ncn2C)c(C)[nH+]1 ZINC000631016629 370901350 /nfs/dbraw/zinc/90/13/50/370901350.db2.gz QDTUJEXKFFKYIW-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457127563 203009609 /nfs/dbraw/zinc/00/96/09/203009609.db2.gz PLMVRZGNEYTGAN-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457127563 203009612 /nfs/dbraw/zinc/00/96/12/203009612.db2.gz PLMVRZGNEYTGAN-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO Cc1nnc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]1 ZINC000615955468 368775585 /nfs/dbraw/zinc/77/55/85/368775585.db2.gz WOKYTSLXBZSVQU-UHFFFAOYSA-N 1 2 248.290 0.430 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000070754825 368762901 /nfs/dbraw/zinc/76/29/01/368762901.db2.gz RNKNIZLNEOSANW-SNVBAGLBSA-N 1 2 243.351 0.358 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000070754825 368762906 /nfs/dbraw/zinc/76/29/06/368762906.db2.gz RNKNIZLNEOSANW-SNVBAGLBSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@](C)(CO)NC(=O)Cc1c[nH+]cn1C ZINC000622467373 370940048 /nfs/dbraw/zinc/94/00/48/370940048.db2.gz RCFHJDCBAIDDMU-LLVKDONJSA-N 1 2 225.292 0.240 20 0 BCADLO Cc1cc(N)nc(SCc2nncn2C)[nH+]1 ZINC000111365178 368857167 /nfs/dbraw/zinc/85/71/67/368857167.db2.gz WSWSHZQSQVROOK-UHFFFAOYSA-N 1 2 236.304 0.788 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000618926363 368900595 /nfs/dbraw/zinc/90/05/95/368900595.db2.gz YFNASJCABAKOEG-VHSXEESVSA-N 1 2 237.303 0.714 20 0 BCADLO Cc1cc(N[C@H]2CCC(=O)N(C)C2=O)nc[nH+]1 ZINC000090031818 368967104 /nfs/dbraw/zinc/96/71/04/368967104.db2.gz PNIRBMYJEOHPFI-QMMMGPOBSA-N 1 2 234.259 0.344 20 0 BCADLO CCOCCCNC(=O)Cn1cc[nH+]c1 ZINC000567416984 326186704 /nfs/dbraw/zinc/18/67/04/326186704.db2.gz ONZPSNRPCOWSAK-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)C1COC1 ZINC000567455275 326196025 /nfs/dbraw/zinc/19/60/25/326196025.db2.gz SVKBMTKWLKPDFG-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1COC1 ZINC000567455275 326196027 /nfs/dbraw/zinc/19/60/27/326196027.db2.gz SVKBMTKWLKPDFG-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000618577630 369177006 /nfs/dbraw/zinc/17/70/06/369177006.db2.gz SFGFANYCMCZPPJ-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cn(C)cn1 ZINC000618905540 369236938 /nfs/dbraw/zinc/23/69/38/369236938.db2.gz QNZBEHWUUKXUPO-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cn(C)cn1 ZINC000618905540 369236942 /nfs/dbraw/zinc/23/69/42/369236942.db2.gz QNZBEHWUUKXUPO-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000618905540 369236949 /nfs/dbraw/zinc/23/69/49/369236949.db2.gz QNZBEHWUUKXUPO-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000164614102 203216357 /nfs/dbraw/zinc/21/63/57/203216357.db2.gz ZEQQXIPWEUQTAR-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000164614102 203216359 /nfs/dbraw/zinc/21/63/59/203216359.db2.gz ZEQQXIPWEUQTAR-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619076728 369276551 /nfs/dbraw/zinc/27/65/51/369276551.db2.gz YVSVCRPLGLFTJL-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619075055 369274879 /nfs/dbraw/zinc/27/48/79/369274879.db2.gz LLPRTGUQESPBOL-MNOVXSKESA-N 1 2 249.314 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619075055 369274885 /nfs/dbraw/zinc/27/48/85/369274885.db2.gz LLPRTGUQESPBOL-MNOVXSKESA-N 1 2 249.314 0.762 20 0 BCADLO COC1C[NH+](Cc2nc(C)ccc2O)C1 ZINC000459587375 203307494 /nfs/dbraw/zinc/30/74/94/203307494.db2.gz VGFYVFOODSCPNI-UHFFFAOYSA-N 1 2 208.261 0.926 20 0 BCADLO CCC(=O)N1CCC([NH2+][C@@H](C)C(=O)OC)CC1 ZINC000619430897 369349326 /nfs/dbraw/zinc/34/93/26/369349326.db2.gz OSFCGTUIJCJYRD-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@@](COC)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000459553920 203299219 /nfs/dbraw/zinc/29/92/19/203299219.db2.gz CIYSTFNENRZJAR-LBPRGKRZSA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@](COC)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000459565033 203302797 /nfs/dbraw/zinc/30/27/97/203302797.db2.gz XKALHBZNMATSQB-GXSJLCMTSA-N 1 2 233.308 0.579 20 0 BCADLO CNC(=O)NC1C[NH+](C/C=C/c2ccncc2)C1 ZINC000459615176 203317188 /nfs/dbraw/zinc/31/71/88/203317188.db2.gz ORBCROBBOVUAJD-NSCUHMNNSA-N 1 2 246.314 0.708 20 0 BCADLO CCOC(=O)CN(C)Cc1[nH]cc(C)[nH+]1 ZINC000259893488 370953042 /nfs/dbraw/zinc/95/30/42/370953042.db2.gz XQTRZPHGMSGUKW-UHFFFAOYSA-N 1 2 211.265 0.713 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCc2ccncc21 ZINC000622491154 370956979 /nfs/dbraw/zinc/95/69/79/370956979.db2.gz QJBDCHYWFNHJPB-UHFFFAOYSA-N 1 2 242.282 0.947 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC12CC2 ZINC000622504162 370967555 /nfs/dbraw/zinc/96/75/55/370967555.db2.gz QNULBNDWBYWEHM-SNVBAGLBSA-N 1 2 219.288 0.879 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC1=CCCC1 ZINC000620007388 369663822 /nfs/dbraw/zinc/66/38/22/369663822.db2.gz YQYFGQFLYNKAHU-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC1=CCCC1 ZINC000620007388 369663827 /nfs/dbraw/zinc/66/38/27/369663827.db2.gz YQYFGQFLYNKAHU-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000620060462 369691433 /nfs/dbraw/zinc/69/14/33/369691433.db2.gz HHMORGAGGIPJQM-IVZWLZJFSA-N 1 2 249.314 0.553 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620136826 369743664 /nfs/dbraw/zinc/74/36/64/369743664.db2.gz HLGOPEZPDWFNAF-QWRGUYRKSA-N 1 2 249.314 0.458 20 0 BCADLO CC(C)(NC(=O)c1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000568069173 326303687 /nfs/dbraw/zinc/30/36/87/326303687.db2.gz AVAANXXFFNSXHE-UHFFFAOYSA-N 1 2 219.248 0.798 20 0 BCADLO O=C(CCCn1cc[nH+]c1)Nc1c[nH]ccc1=O ZINC000620500340 369897201 /nfs/dbraw/zinc/89/72/01/369897201.db2.gz IREQXGIOUNUNQX-UHFFFAOYSA-N 1 2 246.270 0.990 20 0 BCADLO C[C@H](NC(=O)c1nccnc1N)c1[nH+]ccn1C ZINC000620599005 369949414 /nfs/dbraw/zinc/94/94/14/369949414.db2.gz BLCKOSPOYIAXKE-ZETCQYMHSA-N 1 2 246.274 0.283 20 0 BCADLO C[C@H](NC(=O)c1cnc[nH]1)c1[nH+]ccn1C ZINC000620600498 369950667 /nfs/dbraw/zinc/95/06/67/369950667.db2.gz OFLFVXFAGDPEHL-ZETCQYMHSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@@H](NC(=O)C1(C)COC1)c1[nH+]ccn1C ZINC000620604105 369951432 /nfs/dbraw/zinc/95/14/32/369951432.db2.gz OJDWPVWFANAYPB-MRVPVSSYSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H](NC(=O)c1cncnc1)c1[nH+]ccn1C ZINC000620605188 369952659 /nfs/dbraw/zinc/95/26/59/369952659.db2.gz ZNSJTFCBVRZOTK-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO C[C@@H](NC(=O)[C@@H](O)C1CC1)c1[nH+]ccn1C ZINC000620607237 369955243 /nfs/dbraw/zinc/95/52/43/369955243.db2.gz FOCVUEQRRXIYCE-APPZFPTMSA-N 1 2 223.276 0.368 20 0 BCADLO CCn1nncc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620610503 369957286 /nfs/dbraw/zinc/95/72/86/369957286.db2.gz XCYIRMXDULRTGA-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000620553058 369917416 /nfs/dbraw/zinc/91/74/16/369917416.db2.gz DSXXQSOEESUIGL-NDMJEZRESA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n(C)n1 ZINC000620596607 369947875 /nfs/dbraw/zinc/94/78/75/369947875.db2.gz PLFBAHZRJYRMSV-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000620865801 370016209 /nfs/dbraw/zinc/01/62/09/370016209.db2.gz AXMNVSFEAKHPCY-NQMVMOMDSA-N 1 2 223.276 0.228 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000620865801 370016215 /nfs/dbraw/zinc/01/62/15/370016215.db2.gz AXMNVSFEAKHPCY-NQMVMOMDSA-N 1 2 223.276 0.228 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC(=O)N1 ZINC000074896639 370053858 /nfs/dbraw/zinc/05/38/58/370053858.db2.gz CTJQKGSSUGIFFH-VIFPVBQESA-N 1 2 244.254 0.551 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCOCCF ZINC000621089646 370097601 /nfs/dbraw/zinc/09/76/01/370097601.db2.gz OQROVIILLSHCNZ-UHFFFAOYSA-N 1 2 229.255 0.376 20 0 BCADLO CC(C)OCCC[NH+]1CCS(=O)CC1 ZINC000111691979 370172233 /nfs/dbraw/zinc/17/22/33/370172233.db2.gz TVKCDQHHNPARCK-UHFFFAOYSA-N 1 2 219.350 0.866 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccc(C)o1 ZINC000621245536 370173568 /nfs/dbraw/zinc/17/35/68/370173568.db2.gz JUEYBSQREGJBMW-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccc(C)o1 ZINC000621245536 370173571 /nfs/dbraw/zinc/17/35/71/370173571.db2.gz JUEYBSQREGJBMW-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621299096 370226448 /nfs/dbraw/zinc/22/64/48/370226448.db2.gz TZLJUPWMKLIHNO-NSHDSACASA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621299096 370226450 /nfs/dbraw/zinc/22/64/50/370226450.db2.gz TZLJUPWMKLIHNO-NSHDSACASA-N 1 2 242.706 0.928 20 0 BCADLO CN(CC1(O)CCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568206624 326326153 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ZINC000632170327 372789348 /nfs/dbraw/zinc/78/93/48/372789348.db2.gz TVCQEVFPLRIXHB-MRVPVSSYSA-N 1 2 237.259 0.062 20 0 BCADLO C[C@H]1OCC[C@H]1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143673 372780786 /nfs/dbraw/zinc/78/07/86/372780786.db2.gz ZNJIKCWWVXEVRG-HTQZYQBOSA-N 1 2 245.304 0.007 20 0 BCADLO O=C(COc1cccnc1)NCc1c[nH+]c[nH]1 ZINC000358581220 182004948 /nfs/dbraw/zinc/00/49/48/182004948.db2.gz BBXTYKQVJDCOGH-UHFFFAOYSA-N 1 2 232.243 0.500 20 0 BCADLO O=C(COc1cccnc1)NCc1c[nH]c[nH+]1 ZINC000358581220 182004950 /nfs/dbraw/zinc/00/49/50/182004950.db2.gz BBXTYKQVJDCOGH-UHFFFAOYSA-N 1 2 232.243 0.500 20 0 BCADLO C[C@H](O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000172312265 372939758 /nfs/dbraw/zinc/93/97/58/372939758.db2.gz UUALFIWZKCBUHX-VIFPVBQESA-N 1 2 233.271 0.835 20 0 BCADLO O=C(Cc1ccn[nH]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367408387 182034958 /nfs/dbraw/zinc/03/49/58/182034958.db2.gz SLOJYCJDNGASBT-MRVPVSSYSA-N 1 2 244.245 0.018 20 0 BCADLO O=C(Cc1ccncc1)NCC[NH+]1CCOCC1 ZINC000074724883 182055128 /nfs/dbraw/zinc/05/51/28/182055128.db2.gz FYWYWEJYOAIYDO-UHFFFAOYSA-N 1 2 249.314 0.073 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000632575602 373013481 /nfs/dbraw/zinc/01/34/81/373013481.db2.gz VJUMEVFSQCKPQM-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Cc1cncs1)N1CCn2c[nH+]cc2C1 ZINC000290914555 182060366 /nfs/dbraw/zinc/06/03/66/182060366.db2.gz JLMCPATZSLAVNR-UHFFFAOYSA-N 1 2 248.311 0.925 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@]12CCOC2 ZINC000357328427 182071562 /nfs/dbraw/zinc/07/15/62/182071562.db2.gz AIRCGUUFBJFPNM-GFCCVEGCSA-N 1 2 235.287 0.665 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCSC1 ZINC000266946001 182071274 /nfs/dbraw/zinc/07/12/74/182071274.db2.gz WJFOCHPRDYTAMO-MRVPVSSYSA-N 1 2 211.290 0.505 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)C1CCCC1 ZINC000291578901 182071389 /nfs/dbraw/zinc/07/13/89/182071389.db2.gz YQRQNDJHHAFKNE-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC1 ZINC000360470888 182071147 /nfs/dbraw/zinc/07/11/47/182071147.db2.gz XTVDVQQHXUAMEM-VHSXEESVSA-N 1 2 205.261 0.798 20 0 BCADLO Cc1nocc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000633133840 373300576 /nfs/dbraw/zinc/30/05/76/373300576.db2.gz ZOQCVVZIMXPWAT-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1nocc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000633133840 373300581 /nfs/dbraw/zinc/30/05/81/373300581.db2.gz ZOQCVVZIMXPWAT-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO O=C(NC1CCC1)N1CCn2cc[nH+]c2C1 ZINC000125312012 182103209 /nfs/dbraw/zinc/10/32/09/182103209.db2.gz BKLYMYXQBRSPEU-UHFFFAOYSA-N 1 2 220.276 0.961 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000264726750 182097722 /nfs/dbraw/zinc/09/77/22/182097722.db2.gz QGZJMJWALGWNEW-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000264726750 182097725 /nfs/dbraw/zinc/09/77/25/182097725.db2.gz QGZJMJWALGWNEW-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)N[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000274011809 182097759 /nfs/dbraw/zinc/09/77/59/182097759.db2.gz OHVIRSVJTSJBQR-SNVBAGLBSA-N 1 2 249.318 0.446 20 0 BCADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000273795777 182097823 /nfs/dbraw/zinc/09/78/23/182097823.db2.gz WBHYDCHEIJVJTQ-JTQLQIEISA-N 1 2 249.318 0.446 20 0 BCADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000273795777 182097824 /nfs/dbraw/zinc/09/78/24/182097824.db2.gz WBHYDCHEIJVJTQ-JTQLQIEISA-N 1 2 249.318 0.446 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633179735 373327428 /nfs/dbraw/zinc/32/74/28/373327428.db2.gz HMLTYDMVKIEYAD-DTWKUNHWSA-N 1 2 240.307 0.975 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)CCCCO ZINC000633190172 373334036 /nfs/dbraw/zinc/33/40/36/373334036.db2.gz CZSXVKHPIKUGOU-UHFFFAOYSA-N 1 2 238.287 0.869 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)O ZINC000633288213 373452255 /nfs/dbraw/zinc/45/22/55/373452255.db2.gz JYMGVVZFINYOQJ-HTQZYQBOSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](C)O1 ZINC000633304841 373462874 /nfs/dbraw/zinc/46/28/74/373462874.db2.gz VRGDXOMFKZDYJW-KLBPJQLPSA-N 1 2 249.314 0.738 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000633335428 373482036 /nfs/dbraw/zinc/48/20/36/373482036.db2.gz YCJAZOZGDMQZQA-BDAKNGLRSA-N 1 2 238.291 0.729 20 0 BCADLO O=C(NCCC1CC1)NCCn1cc[nH+]c1 ZINC000080638366 182152499 /nfs/dbraw/zinc/15/24/99/182152499.db2.gz KWNIOPJHSFMSOT-UHFFFAOYSA-N 1 2 222.292 0.982 20 0 BCADLO O=C(NCCCCCO)NCCn1cc[nH+]c1 ZINC000193012710 182159979 /nfs/dbraw/zinc/15/99/79/182159979.db2.gz LXRMRGBVUNDKLO-UHFFFAOYSA-N 1 2 240.307 0.345 20 0 BCADLO O=C(NCCCO)Nc1ccn2cc[nH+]c2c1 ZINC000281134664 182170598 /nfs/dbraw/zinc/17/05/98/182170598.db2.gz YSBGRFZBSLZDCW-UHFFFAOYSA-N 1 2 234.259 0.838 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ccnnc1 ZINC000153540810 182179294 /nfs/dbraw/zinc/17/92/94/182179294.db2.gz QIRYMFQXYAXSIV-UHFFFAOYSA-N 1 2 231.259 0.493 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)c1cc(F)c[nH]1 ZINC000292810269 182186392 /nfs/dbraw/zinc/18/63/92/182186392.db2.gz XCTBQCYPGCMHRR-UHFFFAOYSA-N 1 2 241.266 0.216 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)c1ccoc1 ZINC000049031761 182187335 /nfs/dbraw/zinc/18/73/35/182187335.db2.gz CIDDJSUNPDFIKC-UHFFFAOYSA-N 1 2 224.260 0.342 20 0 BCADLO O=C(NCC[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000066969900 182188627 /nfs/dbraw/zinc/18/86/27/182188627.db2.gz XCYULCXMNZMDCO-UHFFFAOYSA-N 1 2 208.265 0.026 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cncnc1 ZINC000355306892 182188828 /nfs/dbraw/zinc/18/88/28/182188828.db2.gz JYLSIMOXXSFVBD-UHFFFAOYSA-N 1 2 243.270 0.714 20 0 BCADLO COc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000633907948 373842399 /nfs/dbraw/zinc/84/23/99/373842399.db2.gz GXWDXJCSJFEKAU-LURJTMIESA-N 1 2 242.304 0.579 20 0 BCADLO COc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000633907948 373842402 /nfs/dbraw/zinc/84/24/02/373842402.db2.gz GXWDXJCSJFEKAU-LURJTMIESA-N 1 2 242.304 0.579 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1cncs1 ZINC000337579392 182185643 /nfs/dbraw/zinc/18/56/43/182185643.db2.gz HXBAXNLVUOQCBO-UHFFFAOYSA-N 1 2 211.290 0.579 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2CCCC3)C1 ZINC000634082743 373947628 /nfs/dbraw/zinc/94/76/28/373947628.db2.gz AVUKOEOZNCQKOP-NTZNESFSSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2CCCC3)C1 ZINC000634082743 373947631 /nfs/dbraw/zinc/94/76/31/373947631.db2.gz AVUKOEOZNCQKOP-NTZNESFSSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCCn1cc[nH+]c1)OC[C@H]1CCCO1 ZINC000283639224 182215496 /nfs/dbraw/zinc/21/54/96/182215496.db2.gz XJPUSPOWWLAUIY-SNVBAGLBSA-N 1 2 239.275 0.788 20 0 BCADLO CC1(NC(=O)CCn2cc[nH+]c2)COC1 ZINC000634189486 373999200 /nfs/dbraw/zinc/99/92/00/373999200.db2.gz XPDIOMJDAOCDIX-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)COC1 ZINC000634192806 374013452 /nfs/dbraw/zinc/01/34/52/374013452.db2.gz UNOUJZLYJORLAG-MRVPVSSYSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)COC1 ZINC000634192806 374013461 /nfs/dbraw/zinc/01/34/61/374013461.db2.gz UNOUJZLYJORLAG-MRVPVSSYSA-N 1 2 223.276 0.493 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000355297244 182215614 /nfs/dbraw/zinc/21/56/14/182215614.db2.gz GPUSUNPNTSZNAT-AXFHLTTASA-N 1 2 235.287 0.424 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1O ZINC000172507461 182215616 /nfs/dbraw/zinc/21/56/16/182215616.db2.gz XPSXYNLIANESBN-UWVGGRQHSA-N 1 2 238.291 0.096 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)C[C@@H]1C1CC1 ZINC000634171974 373982501 /nfs/dbraw/zinc/98/25/01/373982501.db2.gz FLLOUFHHQCOVHB-NWDGAFQWSA-N 1 2 249.314 0.334 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@]12CCOC2 ZINC000359784199 182212135 /nfs/dbraw/zinc/21/21/35/182212135.db2.gz AMIZYQHJNPZOSL-BXKDBHETSA-N 1 2 235.287 0.495 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCOC)C1 ZINC000425507940 205900528 /nfs/dbraw/zinc/90/05/28/205900528.db2.gz GZASDLYBYFRJAR-UHFFFAOYSA-N 1 2 200.282 0.535 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCOC)C1 ZINC000425507940 205900532 /nfs/dbraw/zinc/90/05/32/205900532.db2.gz GZASDLYBYFRJAR-UHFFFAOYSA-N 1 2 200.282 0.535 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cccc(CO)c1 ZINC000362568803 182216256 /nfs/dbraw/zinc/21/62/56/182216256.db2.gz LVPAOIPGTVCWMV-UHFFFAOYSA-N 1 2 245.282 0.805 20 0 BCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000369901616 182227813 /nfs/dbraw/zinc/22/78/13/182227813.db2.gz WYVQUSSFIKKTOD-LLVKDONJSA-N 1 2 239.319 0.311 20 0 BCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000369901616 182227818 /nfs/dbraw/zinc/22/78/18/182227818.db2.gz WYVQUSSFIKKTOD-LLVKDONJSA-N 1 2 239.319 0.311 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccoc1 ZINC000178627677 182245663 /nfs/dbraw/zinc/24/56/63/182245663.db2.gz UTQNBPMTIKCCHW-NSHDSACASA-N 1 2 235.287 0.009 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C(C)(C)O ZINC000634480334 374270322 /nfs/dbraw/zinc/27/03/22/374270322.db2.gz JLJRQLIMFVHQRV-UHFFFAOYSA-N 1 2 239.319 0.628 20 0 BCADLO CC(C)(C(=O)N[C@H]1CCC[C@@H]1O)c1c[nH]c[nH+]1 ZINC000634414082 374243494 /nfs/dbraw/zinc/24/34/94/374243494.db2.gz HFEDAJIDJGKGGU-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2cccnc12 ZINC000358118932 182273775 /nfs/dbraw/zinc/27/37/75/182273775.db2.gz HYODZAQJOFMHGO-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NN1CCCCC1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368632689 182276345 /nfs/dbraw/zinc/27/63/45/182276345.db2.gz OGEYNMWYEXGUED-ZETCQYMHSA-N 1 2 247.245 0.027 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)C1(O)CCC1 ZINC000119738501 182268163 /nfs/dbraw/zinc/26/81/63/182268163.db2.gz CLOBIXGYVUZLOJ-UHFFFAOYSA-N 1 2 245.282 0.866 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnc2n[nH]nc2c1 ZINC000349133091 182270894 /nfs/dbraw/zinc/27/08/94/182270894.db2.gz UMCAIJVYVOTZRT-UHFFFAOYSA-N 1 2 243.230 0.006 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnc2n[nH]nc2c1 ZINC000349133091 182270897 /nfs/dbraw/zinc/27/08/97/182270897.db2.gz UMCAIJVYVOTZRT-UHFFFAOYSA-N 1 2 243.230 0.006 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2nncn2c1 ZINC000359131127 182270907 /nfs/dbraw/zinc/27/09/07/182270907.db2.gz LZFGJIHAXCHILH-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2nncn2c1 ZINC000359131127 182270910 /nfs/dbraw/zinc/27/09/10/182270910.db2.gz LZFGJIHAXCHILH-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NN1CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364212571 182277193 /nfs/dbraw/zinc/27/71/93/182277193.db2.gz FUUXBJZUHQSECF-LLVKDONJSA-N 1 2 248.330 0.963 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H]1F ZINC000424635323 206043654 /nfs/dbraw/zinc/04/36/54/206043654.db2.gz BTQLRATUOMMOBU-CMPLNLGQSA-N 1 2 244.310 0.525 20 0 BCADLO CC(C)N1CCC[N@@H+]([C@H]2COC[C@H]2O)CC1 ZINC000428237198 206056162 /nfs/dbraw/zinc/05/61/62/206056162.db2.gz ALJKQBRMLWQUAS-NWDGAFQWSA-N 1 2 228.336 0.162 20 0 BCADLO CC(C)N1CCC[N@H+]([C@H]2COC[C@H]2O)CC1 ZINC000428237198 206056166 /nfs/dbraw/zinc/05/61/66/206056166.db2.gz ALJKQBRMLWQUAS-NWDGAFQWSA-N 1 2 228.336 0.162 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC1(CCO)CC1 ZINC000430914186 206061735 /nfs/dbraw/zinc/06/17/35/206061735.db2.gz IEBNYVRUHZZTCO-UHFFFAOYSA-N 1 2 238.291 0.097 20 0 BCADLO CCOCCn1ncc2c1nc[nH+]c2NC ZINC000194422448 206091316 /nfs/dbraw/zinc/09/13/16/206091316.db2.gz WHSCRGPGXDPALB-UHFFFAOYSA-N 1 2 221.264 0.905 20 0 BCADLO CC(C)c1ncc(C[N@H+](C)CC(N)=O)cn1 ZINC000440475037 206077498 /nfs/dbraw/zinc/07/74/98/206077498.db2.gz COGBXXCGIAQNRE-UHFFFAOYSA-N 1 2 222.292 0.517 20 0 BCADLO CC(C)c1ncc(C[N@@H+](C)CC(N)=O)cn1 ZINC000440475037 206077504 /nfs/dbraw/zinc/07/75/04/206077504.db2.gz COGBXXCGIAQNRE-UHFFFAOYSA-N 1 2 222.292 0.517 20 0 BCADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1nnn(C)n1 ZINC000440485140 206078073 /nfs/dbraw/zinc/07/80/73/206078073.db2.gz HYGNNGWHZGRTRW-SECBINFHSA-N 1 2 221.308 0.975 20 0 BCADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1nnn(C)n1 ZINC000440485140 206078075 /nfs/dbraw/zinc/07/80/75/206078075.db2.gz HYGNNGWHZGRTRW-SECBINFHSA-N 1 2 221.308 0.975 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=COCCO1 ZINC000371363172 182311983 /nfs/dbraw/zinc/31/19/83/182311983.db2.gz ZQBDPMMVHZMYEA-MRVPVSSYSA-N 1 2 249.270 0.271 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=COCCO1 ZINC000371363172 182311987 /nfs/dbraw/zinc/31/19/87/182311987.db2.gz ZQBDPMMVHZMYEA-MRVPVSSYSA-N 1 2 249.270 0.271 20 0 BCADLO CC[N@H+](Cc1ccnc(OC)n1)C1COC1 ZINC000449426362 206098461 /nfs/dbraw/zinc/09/84/61/206098461.db2.gz OWRFMGQFOMTHCN-UHFFFAOYSA-N 1 2 223.276 0.706 20 0 BCADLO CC[N@@H+](Cc1ccnc(OC)n1)C1COC1 ZINC000449426362 206098466 /nfs/dbraw/zinc/09/84/66/206098466.db2.gz OWRFMGQFOMTHCN-UHFFFAOYSA-N 1 2 223.276 0.706 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)c1ccc2[nH+]ccn2c1 ZINC000178628908 182331496 /nfs/dbraw/zinc/33/14/96/182331496.db2.gz HNSLDRUBQDLLGQ-QWRGUYRKSA-N 1 2 245.282 0.978 20 0 BCADLO O=C(Nc1ccsc1)[C@H]1COCC[NH2+]1 ZINC000085535112 182389854 /nfs/dbraw/zinc/38/98/54/182389854.db2.gz NDCDNCVPKBSOES-MRVPVSSYSA-N 1 2 212.274 0.675 20 0 BCADLO O=C1CN(Cc2[nH]cc[nH+]2)CCN1C1CC1 ZINC000336332597 182763149 /nfs/dbraw/zinc/76/31/49/182763149.db2.gz PHKGIAUJCBXDFZ-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@@H]2C[C@@H]21)OCC ZINC000367843035 170315895 /nfs/dbraw/zinc/31/58/95/170315895.db2.gz ZRRWEADTMSUTRF-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO CCOC(C[N@H+]1CCO[C@@H]2C[C@@H]21)OCC ZINC000367843035 170315897 /nfs/dbraw/zinc/31/58/97/170315897.db2.gz ZRRWEADTMSUTRF-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO O=c1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)[nH][nH]1 ZINC000288777902 183009103 /nfs/dbraw/zinc/00/91/03/183009103.db2.gz BMNFLPGGTODHAD-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc(CN2CCC(c3[nH]cc[nH+]3)CC2)[nH][nH]1 ZINC000271206286 183009720 /nfs/dbraw/zinc/00/97/20/183009720.db2.gz SFHLMNZTAZMROQ-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329684885 183026570 /nfs/dbraw/zinc/02/65/70/183026570.db2.gz ZRZVAYFPKPVWEB-JTQLQIEISA-N 1 2 249.318 0.776 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329684885 183026572 /nfs/dbraw/zinc/02/65/72/183026572.db2.gz ZRZVAYFPKPVWEB-JTQLQIEISA-N 1 2 249.318 0.776 20 0 BCADLO O=C1NC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328617863 183024826 /nfs/dbraw/zinc/02/48/26/183024826.db2.gz UOXYZQKWJMJMNL-IUCAKERBSA-N 1 2 238.291 0.019 20 0 BCADLO O=C1NC[C@H]2C[N@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328617863 183024828 /nfs/dbraw/zinc/02/48/28/183024828.db2.gz UOXYZQKWJMJMNL-IUCAKERBSA-N 1 2 238.291 0.019 20 0 BCADLO OCC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000331306911 183041537 /nfs/dbraw/zinc/04/15/37/183041537.db2.gz RUPJQGDHRHQYAE-UHFFFAOYSA-N 1 2 242.298 0.452 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCO)C2)[nH]1 ZINC000377595828 183055355 /nfs/dbraw/zinc/05/53/55/183055355.db2.gz VZLRYERWAFTVNY-QMMMGPOBSA-N 1 2 226.280 0.072 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCO)C2)[nH]1 ZINC000377595828 183055356 /nfs/dbraw/zinc/05/53/56/183055356.db2.gz VZLRYERWAFTVNY-QMMMGPOBSA-N 1 2 226.280 0.072 20 0 BCADLO OCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275877171 183060821 /nfs/dbraw/zinc/06/08/21/183060821.db2.gz PMSVXBLNGWYFPV-LLVKDONJSA-N 1 2 232.287 0.866 20 0 BCADLO OCC[NH+](CCO)C/C(Cl)=C/Cl ZINC000086001384 183066082 /nfs/dbraw/zinc/06/60/82/183066082.db2.gz NOKYQKGYGVKIGU-ALCCZGGFSA-N 1 2 214.092 0.592 20 0 BCADLO OCC[N@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000221159030 183072670 /nfs/dbraw/zinc/07/26/70/183072670.db2.gz PLKPHRZSXJODTL-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO OCC[N@@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000221159030 183072672 /nfs/dbraw/zinc/07/26/72/183072672.db2.gz PLKPHRZSXJODTL-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO OCCOCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000305815789 183082321 /nfs/dbraw/zinc/08/23/21/183082321.db2.gz AAKPJADDOQWURZ-JTQLQIEISA-N 1 2 240.307 0.341 20 0 BCADLO OCCOCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000305815789 183082323 /nfs/dbraw/zinc/08/23/23/183082323.db2.gz AAKPJADDOQWURZ-JTQLQIEISA-N 1 2 240.307 0.341 20 0 BCADLO OCCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309528883 183085975 /nfs/dbraw/zinc/08/59/75/183085975.db2.gz BLJNJTLOLYDSJR-JTQLQIEISA-N 1 2 225.292 0.386 20 0 BCADLO OCCN(Cc1[nH]cc[nH+]1)Cc1cccnc1 ZINC000353424360 183069190 /nfs/dbraw/zinc/06/91/90/183069190.db2.gz UOLGUDSPSWDEBN-UHFFFAOYSA-N 1 2 232.287 0.799 20 0 BCADLO OC[C@@]1(F)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000338594596 183134257 /nfs/dbraw/zinc/13/42/57/183134257.db2.gz PUBMIEGSYHPEDE-NKWVEPMBSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000338594596 183134259 /nfs/dbraw/zinc/13/42/59/183134259.db2.gz PUBMIEGSYHPEDE-NKWVEPMBSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2cccnc2)C1 ZINC000336381251 183134868 /nfs/dbraw/zinc/13/48/68/183134868.db2.gz RASAWFQILJJOCY-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2cccnc2)C1 ZINC000336381251 183134869 /nfs/dbraw/zinc/13/48/69/183134869.db2.gz RASAWFQILJJOCY-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1csnn1 ZINC000308877114 183136389 /nfs/dbraw/zinc/13/63/89/183136389.db2.gz NYNWUNZMZIMHMF-YFKPBYRVSA-N 1 2 241.238 0.941 20 0 BCADLO OC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000094268116 183127426 /nfs/dbraw/zinc/12/74/26/183127426.db2.gz LEBRERJBZWEJCY-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000088094136 183128134 /nfs/dbraw/zinc/12/81/34/183128134.db2.gz FQYGIIPOFZFGRK-JTQLQIEISA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000088094136 183128137 /nfs/dbraw/zinc/12/81/37/183128137.db2.gz FQYGIIPOFZFGRK-JTQLQIEISA-N 1 2 213.302 0.941 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](CO)CC2)[nH]1 ZINC000331545164 183150808 /nfs/dbraw/zinc/15/08/08/183150808.db2.gz AWRRFMLIKYYFLW-QMMMGPOBSA-N 1 2 226.280 0.105 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](CO)CC2)[nH]1 ZINC000331545164 183150811 /nfs/dbraw/zinc/15/08/11/183150811.db2.gz AWRRFMLIKYYFLW-QMMMGPOBSA-N 1 2 226.280 0.105 20 0 BCADLO O[C@@H](C[N@@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263108 183177448 /nfs/dbraw/zinc/17/74/48/183177448.db2.gz RTSQFOLENDQIKY-RITPCOANSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@@H](C[N@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263108 183177452 /nfs/dbraw/zinc/17/74/52/183177452.db2.gz RTSQFOLENDQIKY-RITPCOANSA-N 1 2 201.163 0.953 20 0 BCADLO CCCN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356357162 169053405 /nfs/dbraw/zinc/05/34/05/169053405.db2.gz MPFIEAQJOMNUQN-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356357162 169053409 /nfs/dbraw/zinc/05/34/09/169053409.db2.gz MPFIEAQJOMNUQN-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489928 183206857 /nfs/dbraw/zinc/20/68/57/183206857.db2.gz MWKFKMOXZUNMEG-IQJOONFLSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489928 183206860 /nfs/dbraw/zinc/20/68/60/183206860.db2.gz MWKFKMOXZUNMEG-IQJOONFLSA-N 1 2 222.292 0.398 20 0 BCADLO CCCN(CC(=O)OC)C(=O)Cn1cc[nH+]c1 ZINC000266898458 169100195 /nfs/dbraw/zinc/10/01/95/169100195.db2.gz YERDJJVKSNUINS-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc(C)ncn1 ZINC000292137397 169095048 /nfs/dbraw/zinc/09/50/48/169095048.db2.gz HRKOKFHCPKSBMB-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc(C)ncn1 ZINC000292137397 169095050 /nfs/dbraw/zinc/09/50/50/169095050.db2.gz HRKOKFHCPKSBMB-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO O[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000270003168 183216559 /nfs/dbraw/zinc/21/65/59/183216559.db2.gz RZDPLQWYKAPLTP-GFCCVEGCSA-N 1 2 235.287 0.917 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000061708262 183239510 /nfs/dbraw/zinc/23/95/10/183239510.db2.gz HORXQQZWEJWVSF-QMMMGPOBSA-N 1 2 209.249 0.514 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000061708262 183239511 /nfs/dbraw/zinc/23/95/11/183239511.db2.gz HORXQQZWEJWVSF-QMMMGPOBSA-N 1 2 209.249 0.514 20 0 BCADLO O[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077797 183239851 /nfs/dbraw/zinc/23/98/51/183239851.db2.gz HLFVZFGVLVMNGE-QMMMGPOBSA-N 1 2 213.668 0.697 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077797 183239853 /nfs/dbraw/zinc/23/98/53/183239853.db2.gz HLFVZFGVLVMNGE-QMMMGPOBSA-N 1 2 213.668 0.697 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000277589465 183240623 /nfs/dbraw/zinc/24/06/23/183240623.db2.gz DEMFTADFMPEYQP-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000277589465 183240624 /nfs/dbraw/zinc/24/06/24/183240624.db2.gz DEMFTADFMPEYQP-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000086331074 183242033 /nfs/dbraw/zinc/24/20/33/183242033.db2.gz KDMBJRJMDPQSQZ-YWEGNWRLSA-N 1 2 212.076 0.343 20 0 BCADLO O[C@@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000086331074 183242036 /nfs/dbraw/zinc/24/20/36/183242036.db2.gz KDMBJRJMDPQSQZ-YWEGNWRLSA-N 1 2 212.076 0.343 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1O ZINC000086331467 183243099 /nfs/dbraw/zinc/24/30/99/183243099.db2.gz GPPMHBWTRZHXDH-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@@H]1O ZINC000086331467 183243100 /nfs/dbraw/zinc/24/31/00/183243100.db2.gz GPPMHBWTRZHXDH-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000086778067 183243987 /nfs/dbraw/zinc/24/39/87/183243987.db2.gz GYCMWYSIPAYNCY-KNVOCYPGSA-N 1 2 234.708 0.334 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000086778067 183243988 /nfs/dbraw/zinc/24/39/88/183243988.db2.gz GYCMWYSIPAYNCY-KNVOCYPGSA-N 1 2 234.708 0.334 20 0 BCADLO O[C@H]1C[NH+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000236595149 183244131 /nfs/dbraw/zinc/24/41/31/183244131.db2.gz GYCMWYSIPAYNCY-BQBZGAKWSA-N 1 2 234.708 0.334 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccno3)C2)[nH]1 ZINC000377483740 183306202 /nfs/dbraw/zinc/30/62/02/183306202.db2.gz FWDVAKMMUXLAGB-QMMMGPOBSA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccno3)C2)[nH]1 ZINC000377483740 183306205 /nfs/dbraw/zinc/30/62/05/183306205.db2.gz FWDVAKMMUXLAGB-QMMMGPOBSA-N 1 2 249.274 0.878 20 0 BCADLO CCC[N@H+](CCO)[C@H](COC)C(=O)OCC ZINC000361926151 169167395 /nfs/dbraw/zinc/16/73/95/169167395.db2.gz MECWTRDGGSAMRQ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCC[N@@H+](CCO)[C@H](COC)C(=O)OCC ZINC000361926151 169167396 /nfs/dbraw/zinc/16/73/96/169167396.db2.gz MECWTRDGGSAMRQ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C[C@H]1CCCOC1)C2 ZINC000330024389 183310331 /nfs/dbraw/zinc/31/03/31/183310331.db2.gz JTBPRAXERZLXGS-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C[C@H]1CCCOC1)C2 ZINC000330024389 183310334 /nfs/dbraw/zinc/31/03/34/183310334.db2.gz JTBPRAXERZLXGS-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@H+](C[C@H]3CCCOC3)CCN12 ZINC000330024389 183310335 /nfs/dbraw/zinc/31/03/35/183310335.db2.gz JTBPRAXERZLXGS-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@@H+](C[C@H]3CCCOC3)CCN12 ZINC000330024389 183310337 /nfs/dbraw/zinc/31/03/37/183310337.db2.gz JTBPRAXERZLXGS-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)no1 ZINC000375232325 183344213 /nfs/dbraw/zinc/34/42/13/183344213.db2.gz ACKGAVDKKYELEF-NSHDSACASA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)no1 ZINC000375232325 183344216 /nfs/dbraw/zinc/34/42/16/183344216.db2.gz ACKGAVDKKYELEF-NSHDSACASA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)n[nH]1 ZINC000091896255 183345037 /nfs/dbraw/zinc/34/50/37/183345037.db2.gz YINUTEAYUGDTNM-UHFFFAOYSA-N 1 2 237.303 0.791 20 0 BCADLO c1cc(C[N@H+]2CCOC3(CCOCC3)C2)n[nH]1 ZINC000091896255 183345040 /nfs/dbraw/zinc/34/50/40/183345040.db2.gz YINUTEAYUGDTNM-UHFFFAOYSA-N 1 2 237.303 0.791 20 0 BCADLO CCCNC(=O)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000358123025 169215172 /nfs/dbraw/zinc/21/51/72/169215172.db2.gz GWYDPYIVJGOLGV-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000368583400 169222205 /nfs/dbraw/zinc/22/22/05/169222205.db2.gz OAGLIWBPKVIOES-GXSJLCMTSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000368583400 169222206 /nfs/dbraw/zinc/22/22/06/169222206.db2.gz OAGLIWBPKVIOES-GXSJLCMTSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000162018262 169241332 /nfs/dbraw/zinc/24/13/32/169241332.db2.gz PVCASMCWSPPMAK-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO c1cn(C2C[NH+](Cc3ccccn3)C2)nn1 ZINC000370071366 183397645 /nfs/dbraw/zinc/39/76/45/183397645.db2.gz GVHXLEPISNZFLN-UHFFFAOYSA-N 1 2 215.260 0.730 20 0 BCADLO CCC[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000035270412 169350271 /nfs/dbraw/zinc/35/02/71/169350271.db2.gz YLNMQEGHNBRYHW-LLVKDONJSA-N 1 2 228.336 0.871 20 0 BCADLO CCC[C@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000287760549 169558128 /nfs/dbraw/zinc/55/81/28/169558128.db2.gz HHTLKLKTFVTJPW-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccon1 ZINC000185426590 134380355 /nfs/dbraw/zinc/38/03/55/134380355.db2.gz DCTPJRPROZUVCQ-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccon1 ZINC000185426590 134380356 /nfs/dbraw/zinc/38/03/56/134380356.db2.gz DCTPJRPROZUVCQ-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO CC[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035201858 383842136 /nfs/dbraw/zinc/84/21/36/383842136.db2.gz UESUVYZKJSJZHJ-SNVBAGLBSA-N 1 2 247.298 0.764 20 0 BCADLO C[N@H+](CCn1cccn1)[C@H]1CCOC1=O ZINC000111280027 383850533 /nfs/dbraw/zinc/85/05/33/383850533.db2.gz PCAWBLSUPZQYID-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@H]1CCOC1=O ZINC000111280027 383850538 /nfs/dbraw/zinc/85/05/38/383850538.db2.gz PCAWBLSUPZQYID-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)C(=O)NCc1ccco1 ZINC000111399533 383860625 /nfs/dbraw/zinc/86/06/25/383860625.db2.gz PRCBYMWKSHBHLV-SECBINFHSA-N 1 2 248.286 0.797 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOCC1CC1 ZINC000119813595 383868973 /nfs/dbraw/zinc/86/89/73/383868973.db2.gz DBLAOANLMOTGQU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOCC1CC1 ZINC000119813595 383868979 /nfs/dbraw/zinc/86/89/79/383868979.db2.gz DBLAOANLMOTGQU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOCC1CC1 ZINC000119813742 383870465 /nfs/dbraw/zinc/87/04/65/383870465.db2.gz DBLAOANLMOTGQU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOCC1CC1 ZINC000119813742 383870472 /nfs/dbraw/zinc/87/04/72/383870472.db2.gz DBLAOANLMOTGQU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@@H]1CCCO1 ZINC000308647789 383881065 /nfs/dbraw/zinc/88/10/65/383881065.db2.gz IEQLPYLPHFYLSU-SFYZADRCSA-N 1 2 209.236 0.771 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000305151273 383829689 /nfs/dbraw/zinc/82/96/89/383829689.db2.gz AAVHORQLUMTKAV-WCBMZHEXSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000305151273 383829697 /nfs/dbraw/zinc/82/96/97/383829697.db2.gz AAVHORQLUMTKAV-WCBMZHEXSA-N 1 2 225.292 0.971 20 0 BCADLO COC[C@H](C[NH2+]Cc1csnn1)OC ZINC000227717513 134385460 /nfs/dbraw/zinc/38/54/60/134385460.db2.gz VGWGBVGSSXZOIQ-QMMMGPOBSA-N 1 2 217.294 0.289 20 0 BCADLO Cn1ccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000642898856 383890124 /nfs/dbraw/zinc/89/01/24/383890124.db2.gz QZYPGLHFQSVUCC-UHFFFAOYSA-N 1 2 231.259 0.273 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)F ZINC000112021411 383892137 /nfs/dbraw/zinc/89/21/37/383892137.db2.gz NATZABUGWCDHCX-ZCFIWIBFSA-N 1 2 221.182 0.950 20 0 BCADLO CO[C@@H](C[NH2+]CC(F)(F)CO)C1CC1 ZINC000400240574 383977968 /nfs/dbraw/zinc/97/79/68/383977968.db2.gz GCEFUIFYNMNVOM-QMMMGPOBSA-N 1 2 209.236 0.629 20 0 BCADLO c1cnnc(NCC[NH+]2CCOCC2)c1 ZINC000052815934 383994343 /nfs/dbraw/zinc/99/43/43/383994343.db2.gz XAMYSQYGLKJUSC-UHFFFAOYSA-N 1 2 208.265 0.221 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000363410160 383955855 /nfs/dbraw/zinc/95/58/55/383955855.db2.gz CGWBANIFEHABPY-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000363410160 383955858 /nfs/dbraw/zinc/95/58/58/383955858.db2.gz CGWBANIFEHABPY-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO C[C@@H](O)[C@@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000642854603 383966138 /nfs/dbraw/zinc/96/61/38/383966138.db2.gz BBYKUTOBTGDYQP-PRHODGIISA-N 1 2 235.287 0.394 20 0 BCADLO Cc1n[nH]cc1C(=O)NCCn1cc[nH+]c1 ZINC000068117497 383973041 /nfs/dbraw/zinc/97/30/41/383973041.db2.gz ITUDDYYHIIFNST-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO C[C@@H]1OCC[N@H+](C[C@@H]2CN(C)C(=O)O2)[C@H]1C ZINC000497137464 383974927 /nfs/dbraw/zinc/97/49/27/383974927.db2.gz YXIZPYJDVFWTGY-GUBZILKMSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1OCC[N@@H+](C[C@@H]2CN(C)C(=O)O2)[C@H]1C ZINC000497137464 383974931 /nfs/dbraw/zinc/97/49/31/383974931.db2.gz YXIZPYJDVFWTGY-GUBZILKMSA-N 1 2 228.292 0.546 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nc2nncn2C2CC2)C1 ZINC000518560551 384011038 /nfs/dbraw/zinc/01/10/38/384011038.db2.gz BZPBHUKLCFJZCL-UHFFFAOYSA-N 1 2 249.318 0.893 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000255169078 384011098 /nfs/dbraw/zinc/01/10/98/384011098.db2.gz WQHGUCSHIWGFNX-IRBQFCFKSA-N 1 2 246.310 0.886 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000255169078 384011107 /nfs/dbraw/zinc/01/11/07/384011107.db2.gz WQHGUCSHIWGFNX-IRBQFCFKSA-N 1 2 246.310 0.886 20 0 BCADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000090794535 384051732 /nfs/dbraw/zinc/05/17/32/384051732.db2.gz LSHBHXOXYJBENV-SECBINFHSA-N 1 2 221.260 0.784 20 0 BCADLO CCN(C)C(=O)C[N@H+](CC)CC(N)=O ZINC000332491321 384036663 /nfs/dbraw/zinc/03/66/63/384036663.db2.gz QWEKKDZWNDPAKY-UHFFFAOYSA-N 1 2 201.270 0.322 20 0 BCADLO CCN(C)C(=O)C[N@@H+](CC)CC(N)=O ZINC000332491321 384036671 /nfs/dbraw/zinc/03/66/71/384036671.db2.gz QWEKKDZWNDPAKY-UHFFFAOYSA-N 1 2 201.270 0.322 20 0 BCADLO C[N@H+](CCN1CCOCC1)Cc1cc[nH]n1 ZINC000114461091 384037813 /nfs/dbraw/zinc/03/78/13/384037813.db2.gz BQAHYEDMNBQOHH-UHFFFAOYSA-N 1 2 224.308 0.174 20 0 BCADLO C[N@@H+](CCN1CCOCC1)Cc1cc[nH]n1 ZINC000114461091 384037818 /nfs/dbraw/zinc/03/78/18/384037818.db2.gz BQAHYEDMNBQOHH-UHFFFAOYSA-N 1 2 224.308 0.174 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cc[nH]n1 ZINC000114461091 384037826 /nfs/dbraw/zinc/03/78/26/384037826.db2.gz BQAHYEDMNBQOHH-UHFFFAOYSA-N 1 2 224.308 0.174 20 0 BCADLO Cc1nc(C[NH+](CCO)CCO)cs1 ZINC000049753568 384037988 /nfs/dbraw/zinc/03/79/88/384037988.db2.gz RLAUYFWIDVMLML-UHFFFAOYSA-N 1 2 216.306 0.238 20 0 BCADLO Cn1cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000069649912 384054460 /nfs/dbraw/zinc/05/44/60/384054460.db2.gz HMVHRXVRHUDSNO-UHFFFAOYSA-N 1 2 237.303 0.087 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000076346829 384059084 /nfs/dbraw/zinc/05/90/84/384059084.db2.gz IYQSQXGDMZWUIO-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000076346829 384059085 /nfs/dbraw/zinc/05/90/85/384059085.db2.gz IYQSQXGDMZWUIO-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO OC[C@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCO1 ZINC000221199628 384059472 /nfs/dbraw/zinc/05/94/72/384059472.db2.gz OEWDUKDDVDOHLS-VXGBXAGGSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCO1 ZINC000221199628 384059478 /nfs/dbraw/zinc/05/94/78/384059478.db2.gz OEWDUKDDVDOHLS-VXGBXAGGSA-N 1 2 245.319 0.223 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000221212050 384070730 /nfs/dbraw/zinc/07/07/30/384070730.db2.gz SIBRGRODVIXIPO-SCZZXKLOSA-N 1 2 247.302 0.570 20 0 BCADLO CC[N@H+](CCOC(C)C)CC(=O)OC ZINC000049947688 384071110 /nfs/dbraw/zinc/07/11/10/384071110.db2.gz VRUBZNAVIHYNEO-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO CC[N@@H+](CCOC(C)C)CC(=O)OC ZINC000049947688 384071115 /nfs/dbraw/zinc/07/11/15/384071115.db2.gz VRUBZNAVIHYNEO-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000332644582 384098180 /nfs/dbraw/zinc/09/81/80/384098180.db2.gz LARZKKZIJKUCQJ-UWVGGRQHSA-N 1 2 238.335 0.894 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000332644582 384098185 /nfs/dbraw/zinc/09/81/85/384098185.db2.gz LARZKKZIJKUCQJ-UWVGGRQHSA-N 1 2 238.335 0.894 20 0 BCADLO CCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000074755682 384137158 /nfs/dbraw/zinc/13/71/58/384137158.db2.gz IWWHGRJKTYABMB-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000074755682 384137163 /nfs/dbraw/zinc/13/71/63/384137163.db2.gz IWWHGRJKTYABMB-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C1CC1 ZINC000227770385 134393928 /nfs/dbraw/zinc/39/39/28/134393928.db2.gz CMNQAFGYJFOSSI-MWLCHTKSSA-N 1 2 240.303 0.148 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)CO ZINC000517755181 384153057 /nfs/dbraw/zinc/15/30/57/384153057.db2.gz PWGPJNZPIBGGRL-UHFFFAOYSA-N 1 2 225.292 0.397 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)o1 ZINC000092006256 384158396 /nfs/dbraw/zinc/15/83/96/384158396.db2.gz OSWNKVCWDMAHNT-KOLCDFICSA-N 1 2 238.287 0.663 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC000074773177 384142168 /nfs/dbraw/zinc/14/21/68/384142168.db2.gz UDGLFXADODCZOK-VIFPVBQESA-N 1 2 224.260 0.340 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC000074773177 384142170 /nfs/dbraw/zinc/14/21/70/384142170.db2.gz UDGLFXADODCZOK-VIFPVBQESA-N 1 2 224.260 0.340 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C1(CO)CC1 ZINC000560502176 384175097 /nfs/dbraw/zinc/17/50/97/384175097.db2.gz XSYHKANOIHZPEB-UHFFFAOYSA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C1(CO)CC1 ZINC000560502176 384175098 /nfs/dbraw/zinc/17/50/98/384175098.db2.gz XSYHKANOIHZPEB-UHFFFAOYSA-N 1 2 239.323 0.430 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)o1 ZINC000092006256 384158401 /nfs/dbraw/zinc/15/84/01/384158401.db2.gz OSWNKVCWDMAHNT-KOLCDFICSA-N 1 2 238.287 0.663 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCNC1=O ZINC000050212932 384159071 /nfs/dbraw/zinc/15/90/71/384159071.db2.gz CRORKBAENGGYKB-MRVPVSSYSA-N 1 2 246.274 0.054 20 0 BCADLO COC[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000251667257 384163504 /nfs/dbraw/zinc/16/35/04/384163504.db2.gz IHRPPPUFMNQIBI-MNOVXSKESA-N 1 2 239.319 0.656 20 0 BCADLO CSC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000235031732 384177976 /nfs/dbraw/zinc/17/79/76/384177976.db2.gz XFVOJMPGSHVLMT-UHFFFAOYSA-N 1 2 213.310 0.195 20 0 BCADLO CNC(=O)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000323142898 384181901 /nfs/dbraw/zinc/18/19/01/384181901.db2.gz KCWYTJUOIUXPQY-QMMMGPOBSA-N 1 2 208.265 0.722 20 0 BCADLO CC(=O)N1CC[NH+](CCNc2ccccn2)CC1 ZINC000076748466 384204938 /nfs/dbraw/zinc/20/49/38/384204938.db2.gz ABBNXPUBSDZTRF-UHFFFAOYSA-N 1 2 248.330 0.658 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000081563924 384186497 /nfs/dbraw/zinc/18/64/97/384186497.db2.gz VUVGCALQAIBCBS-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO Cc1c[nH]c(CN(C)CC(=O)NC2CC2)[nH+]1 ZINC000628122228 384191390 /nfs/dbraw/zinc/19/13/90/384191390.db2.gz PGWRUPRUDMUDGN-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000082475581 384231069 /nfs/dbraw/zinc/23/10/69/384231069.db2.gz WFWJRFNCPHWYSU-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000082475581 384231074 /nfs/dbraw/zinc/23/10/74/384231074.db2.gz WFWJRFNCPHWYSU-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO O=C(C1CC1)N1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000119070230 384231311 /nfs/dbraw/zinc/23/13/11/384231311.db2.gz VTZPOLDQPLGLPH-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000119070230 384231314 /nfs/dbraw/zinc/23/13/14/384231314.db2.gz VTZPOLDQPLGLPH-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000292643493 384234056 /nfs/dbraw/zinc/23/40/56/384234056.db2.gz KLWSVQVPDLVGIT-NSHDSACASA-N 1 2 225.292 0.587 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCc2n[nH]c(=O)[nH]2)C1 ZINC000566214535 384235405 /nfs/dbraw/zinc/23/54/05/384235405.db2.gz QKEWRXHEIHWIDP-SSDOTTSWSA-N 1 2 244.320 0.074 20 0 BCADLO C[N@H+]1CCO[C@@H](CSCc2n[nH]c(=O)[nH]2)C1 ZINC000566214535 384235408 /nfs/dbraw/zinc/23/54/08/384235408.db2.gz QKEWRXHEIHWIDP-SSDOTTSWSA-N 1 2 244.320 0.074 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1cnccn1 ZINC000402897688 384222019 /nfs/dbraw/zinc/22/20/19/384222019.db2.gz JLUFESHNSBJQPC-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1cnccn1 ZINC000402897688 384222026 /nfs/dbraw/zinc/22/20/26/384222026.db2.gz JLUFESHNSBJQPC-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1cnccn1 ZINC000402897695 384222129 /nfs/dbraw/zinc/22/21/29/384222129.db2.gz JLUFESHNSBJQPC-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1cnccn1 ZINC000402897695 384222134 /nfs/dbraw/zinc/22/21/34/384222134.db2.gz JLUFESHNSBJQPC-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO Cc1nc(N[C@@H](CO)CC(C)C)nc(N)[nH+]1 ZINC000304402957 384277067 /nfs/dbraw/zinc/27/70/67/384277067.db2.gz BAYVZJQVGIYHJP-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)CC(C)C)[nH+]1 ZINC000304402957 384277071 /nfs/dbraw/zinc/27/70/71/384277071.db2.gz BAYVZJQVGIYHJP-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccnn1C ZINC000158568121 384246739 /nfs/dbraw/zinc/24/67/39/384246739.db2.gz ACBIBAANYTUDNH-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccnn1C ZINC000158568121 384246745 /nfs/dbraw/zinc/24/67/45/384246745.db2.gz ACBIBAANYTUDNH-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000093528919 384248543 /nfs/dbraw/zinc/24/85/43/384248543.db2.gz INEJVCPMZFFULL-LBPRGKRZSA-N 1 2 241.287 0.619 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000093528919 384248549 /nfs/dbraw/zinc/24/85/49/384248549.db2.gz INEJVCPMZFFULL-LBPRGKRZSA-N 1 2 241.287 0.619 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000158649391 384252306 /nfs/dbraw/zinc/25/23/06/384252306.db2.gz SHPARTLHFMECJQ-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1csnn1)C(C)C ZINC000133494941 384266275 /nfs/dbraw/zinc/26/62/75/384266275.db2.gz FLVKRYFUIYNSSX-MRVPVSSYSA-N 1 2 228.321 0.398 20 0 BCADLO Cc1nc(NC(=O)CCc2c[nH+]cn2C)nn1C ZINC000560716137 384315865 /nfs/dbraw/zinc/31/58/65/384315865.db2.gz VIWXFPSMVHNUBG-UHFFFAOYSA-N 1 2 248.290 0.428 20 0 BCADLO Cc1nnc(NCC[NH+]2CCOCC2)s1 ZINC000083064863 384281334 /nfs/dbraw/zinc/28/13/34/384281334.db2.gz WKQWYKPBNGLKAY-UHFFFAOYSA-N 1 2 228.321 0.591 20 0 BCADLO Cc1nc(NC[C@H]2CCC[C@@H]2O)nc(N)[nH+]1 ZINC000304437414 384297936 /nfs/dbraw/zinc/29/79/36/384297936.db2.gz HISNNGOVKRNTGF-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000304437414 384297942 /nfs/dbraw/zinc/29/79/42/384297942.db2.gz HISNNGOVKRNTGF-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CO ZINC000120336412 384346591 /nfs/dbraw/zinc/34/65/91/384346591.db2.gz MAQSFUJUWWJZQF-MRVPVSSYSA-N 1 2 209.249 0.892 20 0 BCADLO CO[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[C@H]1C ZINC000302574939 384346808 /nfs/dbraw/zinc/34/68/08/384346808.db2.gz AVRJVUPNAKJFNH-APPZFPTMSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@H]1CN(c2nc(N)nc(C)[nH+]2)CC[C@H]1C ZINC000302574939 384346810 /nfs/dbraw/zinc/34/68/10/384346810.db2.gz AVRJVUPNAKJFNH-APPZFPTMSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1ccc(O)c(C[N@H+](C)CC(=O)NC2CC2)n1 ZINC000120323498 384346882 /nfs/dbraw/zinc/34/68/82/384346882.db2.gz HILNVPQAZVSRBX-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO Cc1ccc(O)c(C[N@@H+](C)CC(=O)NC2CC2)n1 ZINC000120323498 384346885 /nfs/dbraw/zinc/34/68/85/384346885.db2.gz HILNVPQAZVSRBX-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000120377114 384349366 /nfs/dbraw/zinc/34/93/66/384349366.db2.gz IOLMNBNXTAGOKT-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120377114 384349370 /nfs/dbraw/zinc/34/93/70/384349370.db2.gz IOLMNBNXTAGOKT-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCc1cn[nH]c1 ZINC000290655496 384351487 /nfs/dbraw/zinc/35/14/87/384351487.db2.gz XDWHHXRUDUCPPL-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO COc1nccnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000095076449 384352953 /nfs/dbraw/zinc/35/29/53/384352953.db2.gz MUKBXFSYZRXTFN-SECBINFHSA-N 1 2 223.276 0.442 20 0 BCADLO COc1nccnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000095076449 384352957 /nfs/dbraw/zinc/35/29/57/384352957.db2.gz MUKBXFSYZRXTFN-SECBINFHSA-N 1 2 223.276 0.442 20 0 BCADLO C[C@@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000120431684 384353300 /nfs/dbraw/zinc/35/33/00/384353300.db2.gz KBKPFROSYLPLNU-SSDOTTSWSA-N 1 2 234.263 0.037 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000083995460 384353941 /nfs/dbraw/zinc/35/39/41/384353941.db2.gz XLQPREDSSUVKJU-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000083995460 384353946 /nfs/dbraw/zinc/35/39/46/384353946.db2.gz XLQPREDSSUVKJU-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000083995433 384354311 /nfs/dbraw/zinc/35/43/11/384354311.db2.gz VEDVRNKZVVUUBP-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H](O)C1 ZINC000083995433 384354314 /nfs/dbraw/zinc/35/43/14/384354314.db2.gz VEDVRNKZVVUUBP-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO O=C(C[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081723 384360884 /nfs/dbraw/zinc/36/08/84/384360884.db2.gz AXQKOECBFHXUGD-SECBINFHSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(C[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081723 384360893 /nfs/dbraw/zinc/36/08/93/384360893.db2.gz AXQKOECBFHXUGD-SECBINFHSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000084081567 384361796 /nfs/dbraw/zinc/36/17/96/384361796.db2.gz FSXQDIAWBMMWQQ-MRVPVSSYSA-N 1 2 209.249 0.453 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000084081567 384361801 /nfs/dbraw/zinc/36/18/01/384361801.db2.gz FSXQDIAWBMMWQQ-MRVPVSSYSA-N 1 2 209.249 0.453 20 0 BCADLO OCC[NH+](CCO)Cc1ccncc1Cl ZINC000084087733 384363420 /nfs/dbraw/zinc/36/34/20/384363420.db2.gz HQUMYSDPZGZLBM-UHFFFAOYSA-N 1 2 230.695 0.522 20 0 BCADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)C1CC1 ZINC000134552137 384364181 /nfs/dbraw/zinc/36/41/81/384364181.db2.gz CTAXZGCHSLPCSN-UHFFFAOYSA-N 1 2 243.332 0.697 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229913871 384324640 /nfs/dbraw/zinc/32/46/40/384324640.db2.gz CTAOIRGTXPPPFU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229913871 384324643 /nfs/dbraw/zinc/32/46/43/384324643.db2.gz CTAOIRGTXPPPFU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000304484833 384328691 /nfs/dbraw/zinc/32/86/91/384328691.db2.gz OSUCATFVWLGIDC-OCAPTIKFSA-N 1 2 221.264 0.130 20 0 BCADLO Cc1nc(N)nc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000304484833 384328695 /nfs/dbraw/zinc/32/86/95/384328695.db2.gz OSUCATFVWLGIDC-OCAPTIKFSA-N 1 2 221.264 0.130 20 0 BCADLO CCC(O)(CC)CNc1nc(C)[nH+]c(N)n1 ZINC000304489015 384329080 /nfs/dbraw/zinc/32/90/80/384329080.db2.gz PCWRKDHYUTURSS-UHFFFAOYSA-N 1 2 225.296 0.725 20 0 BCADLO CCC(O)(CC)CNc1nc(N)nc(C)[nH+]1 ZINC000304489015 384329082 /nfs/dbraw/zinc/32/90/82/384329082.db2.gz PCWRKDHYUTURSS-UHFFFAOYSA-N 1 2 225.296 0.725 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000304483746 384330055 /nfs/dbraw/zinc/33/00/55/384330055.db2.gz ORSMKWJIIGLXOJ-YUMQZZPRSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CC[C@H](O)C2)[nH+]1 ZINC000304483746 384330061 /nfs/dbraw/zinc/33/00/61/384330061.db2.gz ORSMKWJIIGLXOJ-YUMQZZPRSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331581714 384392602 /nfs/dbraw/zinc/39/26/02/384392602.db2.gz FRTITHOAEVOFKM-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331581714 384392608 /nfs/dbraw/zinc/39/26/08/384392608.db2.gz FRTITHOAEVOFKM-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+](C)CC2CC(O)C2)no1 ZINC000084454041 384396911 /nfs/dbraw/zinc/39/69/11/384396911.db2.gz BPIBKEAQWWUVNW-UHFFFAOYSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+](C)CC2CC(O)C2)no1 ZINC000084454041 384396922 /nfs/dbraw/zinc/39/69/22/384396922.db2.gz BPIBKEAQWWUVNW-UHFFFAOYSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)Cc1c[nH+]cn1C ZINC000568125664 384415024 /nfs/dbraw/zinc/41/50/24/384415024.db2.gz ADVGUSMKVCOHDT-CABZTGNLSA-N 1 2 237.303 0.646 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000175268389 384417298 /nfs/dbraw/zinc/41/72/98/384417298.db2.gz QLWMYHSNYBQGKD-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000175268389 384417306 /nfs/dbraw/zinc/41/73/06/384417306.db2.gz QLWMYHSNYBQGKD-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000121493354 384420573 /nfs/dbraw/zinc/42/05/73/384420573.db2.gz PIIDOFOOLROBFN-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000121493354 384420576 /nfs/dbraw/zinc/42/05/76/384420576.db2.gz PIIDOFOOLROBFN-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO CC[C@@H](NC(=O)[C@H]1COCCO1)c1[nH]cc[nH+]1 ZINC000140725982 384448780 /nfs/dbraw/zinc/44/87/80/384448780.db2.gz BZOQEWIWOZXQPT-RKDXNWHRSA-N 1 2 239.275 0.392 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC12CC2 ZINC000521368403 384428747 /nfs/dbraw/zinc/42/87/47/384428747.db2.gz IYOBCUMFZZGUGN-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC12CC2 ZINC000521368403 384428753 /nfs/dbraw/zinc/42/87/53/384428753.db2.gz IYOBCUMFZZGUGN-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO CCn1ccnc1C(=O)NCc1c[nH+]cn1C ZINC000292849150 384437661 /nfs/dbraw/zinc/43/76/61/384437661.db2.gz XUFIKESCWLCGBF-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCCn1cc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000121853640 384441178 /nfs/dbraw/zinc/44/11/78/384441178.db2.gz LCKSRZUDMJAFJR-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1cc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000121853640 384441186 /nfs/dbraw/zinc/44/11/86/384441186.db2.gz LCKSRZUDMJAFJR-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCN(CCO)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047028608 384441188 /nfs/dbraw/zinc/44/11/88/384441188.db2.gz KMGJNPBFXUQSQN-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCOCCO ZINC000121824937 384442339 /nfs/dbraw/zinc/44/23/39/384442339.db2.gz WYKZPBUHOPJFKS-UHFFFAOYSA-N 1 2 239.275 0.520 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000157434106 384460640 /nfs/dbraw/zinc/46/06/40/384460640.db2.gz JUOUGHKTIDEBPR-SECBINFHSA-N 1 2 225.296 0.068 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000157434106 384460646 /nfs/dbraw/zinc/46/06/46/384460646.db2.gz JUOUGHKTIDEBPR-SECBINFHSA-N 1 2 225.296 0.068 20 0 BCADLO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CC(N)=O ZINC000047629173 384463054 /nfs/dbraw/zinc/46/30/54/384463054.db2.gz WPWKVQBWFCWKCA-JTQLQIEISA-N 1 2 249.314 0.108 20 0 BCADLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CC(N)=O ZINC000047629173 384463066 /nfs/dbraw/zinc/46/30/66/384463066.db2.gz WPWKVQBWFCWKCA-JTQLQIEISA-N 1 2 249.314 0.108 20 0 BCADLO CC[C@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047602360 384458360 /nfs/dbraw/zinc/45/83/60/384458360.db2.gz JDIYMUZMOIGRJE-VHSXEESVSA-N 1 2 240.307 0.342 20 0 BCADLO C[C@@H]1OCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000188655090 384458924 /nfs/dbraw/zinc/45/89/24/384458924.db2.gz KDDPKLZHEIBZQZ-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136011980 384498140 /nfs/dbraw/zinc/49/81/40/384498140.db2.gz JWUKKOKEBIUXAO-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCS(=O)(=O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000097105779 384499607 /nfs/dbraw/zinc/49/96/07/384499607.db2.gz AXYYELVTZUCCQM-UHFFFAOYSA-N 1 2 242.300 0.763 20 0 BCADLO COC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000517793618 384509688 /nfs/dbraw/zinc/50/96/88/384509688.db2.gz HCJCEKLXJVWHBH-SNVBAGLBSA-N 1 2 223.276 0.424 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000647335227 384518033 /nfs/dbraw/zinc/51/80/33/384518033.db2.gz LMJCKNQAVORVJO-AVPPRXQKSA-N 1 2 225.292 0.783 20 0 BCADLO OCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000559080980 384524107 /nfs/dbraw/zinc/52/41/07/384524107.db2.gz PKMPOIOBZNOVSY-TXEJJXNPSA-N 1 2 239.271 0.372 20 0 BCADLO OCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000559080980 384524112 /nfs/dbraw/zinc/52/41/12/384524112.db2.gz PKMPOIOBZNOVSY-TXEJJXNPSA-N 1 2 239.271 0.372 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[C@H](O)C1 ZINC000236560573 384525202 /nfs/dbraw/zinc/52/52/02/384525202.db2.gz VDGQPWKXFUJZQX-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO CC(C)C[C@H]1COCC[N@@H+]1CC(N)=O ZINC000072979074 384531811 /nfs/dbraw/zinc/53/18/11/384531811.db2.gz CLSFPLGFTWEODR-VIFPVBQESA-N 1 2 200.282 0.219 20 0 BCADLO CC(C)C[C@H]1COCC[N@H+]1CC(N)=O ZINC000072979074 384531812 /nfs/dbraw/zinc/53/18/12/384531812.db2.gz CLSFPLGFTWEODR-VIFPVBQESA-N 1 2 200.282 0.219 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000123417158 384557450 /nfs/dbraw/zinc/55/74/50/384557450.db2.gz YRYXFZZMEXZDJZ-VIFPVBQESA-N 1 2 235.287 0.416 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000123417158 384557458 /nfs/dbraw/zinc/55/74/58/384557458.db2.gz YRYXFZZMEXZDJZ-VIFPVBQESA-N 1 2 235.287 0.416 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000162010527 384560214 /nfs/dbraw/zinc/56/02/14/384560214.db2.gz PRWZGDCWPKWBRZ-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO CC(C)=C(F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000151392366 384561948 /nfs/dbraw/zinc/56/19/48/384561948.db2.gz MIXYUYCWVOVTCH-VIFPVBQESA-N 1 2 230.283 0.697 20 0 BCADLO CC(C)=C(F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000151392366 384561956 /nfs/dbraw/zinc/56/19/56/384561956.db2.gz MIXYUYCWVOVTCH-VIFPVBQESA-N 1 2 230.283 0.697 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H]2COCCN2)cs1 ZINC000083874644 384537549 /nfs/dbraw/zinc/53/75/49/384537549.db2.gz UJSJYZYHTHSNRE-SECBINFHSA-N 1 2 227.333 0.530 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CSC[NH2+]1 ZINC000019814133 384540977 /nfs/dbraw/zinc/54/09/77/384540977.db2.gz BKAXULMYILMNTB-SCSAIBSYSA-N 1 2 216.291 0.139 20 0 BCADLO CN1C(=O)C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000184275562 384589076 /nfs/dbraw/zinc/58/90/76/384589076.db2.gz IJRVQRBHIGPYDZ-MRVPVSSYSA-N 1 2 246.270 0.523 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000123502589 384564605 /nfs/dbraw/zinc/56/46/05/384564605.db2.gz JAQHXSGLJJBKPU-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000123502589 384564614 /nfs/dbraw/zinc/56/46/14/384564614.db2.gz JAQHXSGLJJBKPU-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000171206502 384565304 /nfs/dbraw/zinc/56/53/04/384565304.db2.gz MOFQGALVXAZSKK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](OC)C1 ZINC000171206502 384565311 /nfs/dbraw/zinc/56/53/11/384565311.db2.gz MOFQGALVXAZSKK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO Cc1nc(CNC(=O)C[NH+]2CC(C)(C)C2)no1 ZINC000561248236 384590126 /nfs/dbraw/zinc/59/01/26/384590126.db2.gz JJMDRLQPFCAFCC-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000123541959 384567334 /nfs/dbraw/zinc/56/73/34/384567334.db2.gz WWGJATPXCQKUFU-MRVPVSSYSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000123541959 384567342 /nfs/dbraw/zinc/56/73/42/384567342.db2.gz WWGJATPXCQKUFU-MRVPVSSYSA-N 1 2 208.265 0.038 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000084378983 384612277 /nfs/dbraw/zinc/61/22/77/384612277.db2.gz AUIHNWYLPMTAGR-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000084378983 384612287 /nfs/dbraw/zinc/61/22/87/384612287.db2.gz AUIHNWYLPMTAGR-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO CCOCCOC[C@@H](O)CNc1cccc[nH+]1 ZINC000358053508 384613226 /nfs/dbraw/zinc/61/32/26/384613226.db2.gz XXKFWCCJNBRSHN-NSHDSACASA-N 1 2 240.303 0.908 20 0 BCADLO COCCc1noc(C[N@@H+](C)CCOC)n1 ZINC000171631341 384616662 /nfs/dbraw/zinc/61/66/62/384616662.db2.gz APXUJSDVGAORAZ-UHFFFAOYSA-N 1 2 229.280 0.337 20 0 BCADLO COCCc1noc(C[N@H+](C)CCOC)n1 ZINC000171631341 384616673 /nfs/dbraw/zinc/61/66/73/384616673.db2.gz APXUJSDVGAORAZ-UHFFFAOYSA-N 1 2 229.280 0.337 20 0 BCADLO CCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC000037897227 384631090 /nfs/dbraw/zinc/63/10/90/384631090.db2.gz HASRLPXKJDUHPW-UHFFFAOYSA-N 1 2 211.265 0.114 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000050117930 384592136 /nfs/dbraw/zinc/59/21/36/384592136.db2.gz NYPQVYMDVBRFPN-QMMMGPOBSA-N 1 2 249.261 0.717 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000050117930 384592147 /nfs/dbraw/zinc/59/21/47/384592147.db2.gz NYPQVYMDVBRFPN-QMMMGPOBSA-N 1 2 249.261 0.717 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000050117946 384595609 /nfs/dbraw/zinc/59/56/09/384595609.db2.gz DBZLVAXUBILQGY-MRVPVSSYSA-N 1 2 247.726 0.513 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000050117946 384595615 /nfs/dbraw/zinc/59/56/15/384595615.db2.gz DBZLVAXUBILQGY-MRVPVSSYSA-N 1 2 247.726 0.513 20 0 BCADLO OC[C@H]1CCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000047496319 384669434 /nfs/dbraw/zinc/66/94/34/384669434.db2.gz CPVBPFDACPCPBT-SNVBAGLBSA-N 1 2 237.307 0.355 20 0 BCADLO OC[C@H]1CCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000047496319 384669437 /nfs/dbraw/zinc/66/94/37/384669437.db2.gz CPVBPFDACPCPBT-SNVBAGLBSA-N 1 2 237.307 0.355 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ncn1 ZINC000533574769 384671714 /nfs/dbraw/zinc/67/17/14/384671714.db2.gz ZFGJMZMEYISKLD-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000061707967 384671921 /nfs/dbraw/zinc/67/19/21/384671921.db2.gz ACVTZQQTBNBXHU-QMMMGPOBSA-N 1 2 225.292 0.934 20 0 BCADLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000061707967 384671927 /nfs/dbraw/zinc/67/19/27/384671927.db2.gz ACVTZQQTBNBXHU-QMMMGPOBSA-N 1 2 225.292 0.934 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000561309414 384637483 /nfs/dbraw/zinc/63/74/83/384637483.db2.gz IMBGPKNQIJSTOY-NSHDSACASA-N 1 2 242.363 0.851 20 0 BCADLO C[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1nc[nH]n1 ZINC000561309400 384638081 /nfs/dbraw/zinc/63/80/81/384638081.db2.gz HXLLQOIDFZDCEI-IUCAKERBSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1nnc[nH]1 ZINC000561309400 384638089 /nfs/dbraw/zinc/63/80/89/384638089.db2.gz HXLLQOIDFZDCEI-IUCAKERBSA-N 1 2 237.307 0.322 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000184702109 384638306 /nfs/dbraw/zinc/63/83/06/384638306.db2.gz YLDIIQVTUGYPHI-LBPRGKRZSA-N 1 2 249.314 0.281 20 0 BCADLO CC[N@H+](CCO)CC(=O)c1cccn1C ZINC000049136428 384675303 /nfs/dbraw/zinc/67/53/03/384675303.db2.gz NWVXUQGWMMJQKW-UHFFFAOYSA-N 1 2 210.277 0.522 20 0 BCADLO CC[N@@H+](CCO)CC(=O)c1cccn1C ZINC000049136428 384675307 /nfs/dbraw/zinc/67/53/07/384675307.db2.gz NWVXUQGWMMJQKW-UHFFFAOYSA-N 1 2 210.277 0.522 20 0 BCADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(N)=O)o1 ZINC000184787079 384651216 /nfs/dbraw/zinc/65/12/16/384651216.db2.gz YSVLDXRUFZLUTK-PSASIEDQSA-N 1 2 240.303 0.993 20 0 BCADLO Cc1ncc(C(=O)NCCCn2cc[nH+]c2)[nH]1 ZINC000082268199 384656166 /nfs/dbraw/zinc/65/61/66/384656166.db2.gz XMHUUJJNCIQREX-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO COCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082276420 384656260 /nfs/dbraw/zinc/65/62/60/384656260.db2.gz YWIXETMPPSUCED-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO Cc1cnccc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303747 384662590 /nfs/dbraw/zinc/66/25/90/384662590.db2.gz YIZXWOLEDFUQAU-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000124793916 384678264 /nfs/dbraw/zinc/67/82/64/384678264.db2.gz LYISPVVQVOAKRM-LLVKDONJSA-N 1 2 239.271 0.909 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000124793916 384678277 /nfs/dbraw/zinc/67/82/77/384678277.db2.gz LYISPVVQVOAKRM-LLVKDONJSA-N 1 2 239.271 0.909 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086759591 384686750 /nfs/dbraw/zinc/68/67/50/384686750.db2.gz GSJQJXNWPKYZII-JGVFFNPUSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086759589 384687997 /nfs/dbraw/zinc/68/79/97/384687997.db2.gz GSJQJXNWPKYZII-HTQZYQBOSA-N 1 2 209.249 0.451 20 0 BCADLO O=C1O[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]32)CC12CC2 ZINC000368334703 384688632 /nfs/dbraw/zinc/68/86/32/384688632.db2.gz XAMQRGXUMAUUTH-LPEHRKFASA-N 1 2 223.272 0.555 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCO[C@@H]3C[C@@H]32)CC12CC2 ZINC000368334703 384688639 /nfs/dbraw/zinc/68/86/39/384688639.db2.gz XAMQRGXUMAUUTH-LPEHRKFASA-N 1 2 223.272 0.555 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC[C@@H]1CCOC1=O)CC2 ZINC000363685574 384693483 /nfs/dbraw/zinc/69/34/83/384693483.db2.gz BKYRUIFDEZWIKI-LLVKDONJSA-N 1 2 249.314 0.960 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)O ZINC000082605298 384695886 /nfs/dbraw/zinc/69/58/86/384695886.db2.gz DNBUMQATCKONDE-UHFFFAOYSA-N 1 2 221.264 0.546 20 0 BCADLO CSCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363942611 384696042 /nfs/dbraw/zinc/69/60/42/384696042.db2.gz VNWHCNYSBFCODR-SNVBAGLBSA-N 1 2 244.360 0.283 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104595318 384700611 /nfs/dbraw/zinc/70/06/11/384700611.db2.gz PNRPDEIMSNNYKB-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO C[C@@H](NC(=O)N(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000104774470 384707649 /nfs/dbraw/zinc/70/76/49/384707649.db2.gz NAAGNGYJSRSNFW-NXEZZACHSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000102676853 384720862 /nfs/dbraw/zinc/72/08/62/384720862.db2.gz HUCXBFXDAKJZEA-QMMMGPOBSA-N 1 2 244.302 0.887 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000291995851 384778781 /nfs/dbraw/zinc/77/87/81/384778781.db2.gz NNPARXBYDCCGIJ-SNVBAGLBSA-N 1 2 240.307 0.236 20 0 BCADLO COC(=O)CCCN1CCn2cc(C)[nH+]c2C1 ZINC000363715978 384729174 /nfs/dbraw/zinc/72/91/74/384729174.db2.gz WPIUKYKHUOVBFN-UHFFFAOYSA-N 1 2 237.303 0.960 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H](O)C1CCC1 ZINC000316005656 384730646 /nfs/dbraw/zinc/73/06/46/384730646.db2.gz JMOZPROFZQTDKK-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@]1([NH2+]CCn2cccn2)CCOC1=O ZINC000289563310 384736896 /nfs/dbraw/zinc/73/68/96/384736896.db2.gz NWJRGCZZBMQHNL-JTQLQIEISA-N 1 2 209.249 0.178 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)NCC1CC1 ZINC000105102885 384742381 /nfs/dbraw/zinc/74/23/81/384742381.db2.gz KBNZJOCHLVDUQF-UHFFFAOYSA-N 1 2 241.335 0.370 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000379079327 384750639 /nfs/dbraw/zinc/75/06/39/384750639.db2.gz FMRZFZHEKOXXBB-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+](C)C2CCC2)n1 ZINC000083213616 384751908 /nfs/dbraw/zinc/75/19/08/384751908.db2.gz MGCJAZYBABCNFB-UHFFFAOYSA-N 1 2 236.323 0.504 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+](C)C2CCC2)n1 ZINC000083213616 384751921 /nfs/dbraw/zinc/75/19/21/384751921.db2.gz MGCJAZYBABCNFB-UHFFFAOYSA-N 1 2 236.323 0.504 20 0 BCADLO COC(=O)[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000309963861 384752660 /nfs/dbraw/zinc/75/26/60/384752660.db2.gz MNTJDBWAUFJXFR-JTQLQIEISA-N 1 2 225.248 0.121 20 0 BCADLO Cc1csc(C[NH+](CCO)CCO)n1 ZINC000087396271 384781044 /nfs/dbraw/zinc/78/10/44/384781044.db2.gz MDJPSSSNAFVIET-UHFFFAOYSA-N 1 2 216.306 0.238 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCn1cc(C)cn1 ZINC000309979601 384758076 /nfs/dbraw/zinc/75/80/76/384758076.db2.gz VODVGRWBIBSKTA-UHFFFAOYSA-N 1 2 225.292 0.733 20 0 BCADLO C[C@@H](O)CCC[N@H+](CCO)CC(F)F ZINC000308566320 384817014 /nfs/dbraw/zinc/81/70/14/384817014.db2.gz HVPQOVJXCWODJB-MRVPVSSYSA-N 1 2 211.252 0.707 20 0 BCADLO C[C@@H](O)CCC[N@@H+](CCO)CC(F)F ZINC000308566320 384817017 /nfs/dbraw/zinc/81/70/17/384817017.db2.gz HVPQOVJXCWODJB-MRVPVSSYSA-N 1 2 211.252 0.707 20 0 BCADLO COC(C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1)OC ZINC000367589506 384820370 /nfs/dbraw/zinc/82/03/70/384820370.db2.gz ZZNNLYVQSKMJKX-WDEREUQCSA-N 1 2 245.319 0.485 20 0 BCADLO COC(C[N@H+]1CCOC[C@H]1[C@H]1CCCO1)OC ZINC000367589506 384820377 /nfs/dbraw/zinc/82/03/77/384820377.db2.gz ZZNNLYVQSKMJKX-WDEREUQCSA-N 1 2 245.319 0.485 20 0 BCADLO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000087442816 384793952 /nfs/dbraw/zinc/79/39/52/384793952.db2.gz QATMOWNJTSYPGD-MRVPVSSYSA-N 1 2 223.280 0.019 20 0 BCADLO CC[N@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000087442816 384793956 /nfs/dbraw/zinc/79/39/56/384793956.db2.gz QATMOWNJTSYPGD-MRVPVSSYSA-N 1 2 223.280 0.019 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361406886 384801547 /nfs/dbraw/zinc/80/15/47/384801547.db2.gz BGAKBFDWJPDSNX-YUMQZZPRSA-N 1 2 237.246 0.497 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361406886 384801550 /nfs/dbraw/zinc/80/15/50/384801550.db2.gz BGAKBFDWJPDSNX-YUMQZZPRSA-N 1 2 237.246 0.497 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000104134505 384803633 /nfs/dbraw/zinc/80/36/33/384803633.db2.gz PUWAZKZWHUZRAC-JTQLQIEISA-N 1 2 234.303 0.374 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000104134505 384803643 /nfs/dbraw/zinc/80/36/43/384803643.db2.gz PUWAZKZWHUZRAC-JTQLQIEISA-N 1 2 234.303 0.374 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H](C)CO ZINC000518214458 384804001 /nfs/dbraw/zinc/80/40/01/384804001.db2.gz TWWILDONJYLHSD-OPRDCNLKSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@H](C)CO ZINC000518214458 384804005 /nfs/dbraw/zinc/80/40/05/384804005.db2.gz TWWILDONJYLHSD-OPRDCNLKSA-N 1 2 239.319 0.721 20 0 BCADLO Cc1ccncc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000083873695 384806661 /nfs/dbraw/zinc/80/66/61/384806661.db2.gz JKFXDHCGDBKRCK-SNVBAGLBSA-N 1 2 221.260 0.317 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000103148185 384809230 /nfs/dbraw/zinc/80/92/30/384809230.db2.gz XTOFIPGKMYQDKW-SNVBAGLBSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000103148185 384809239 /nfs/dbraw/zinc/80/92/39/384809239.db2.gz XTOFIPGKMYQDKW-SNVBAGLBSA-N 1 2 213.277 0.826 20 0 BCADLO CC(C)(C)[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000306238451 384814630 /nfs/dbraw/zinc/81/46/30/384814630.db2.gz MFFNICAGWJPNBV-VIFPVBQESA-N 1 2 219.350 0.458 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000308622909 384878382 /nfs/dbraw/zinc/87/83/82/384878382.db2.gz UTARDTKMJHYZLO-DTWKUNHWSA-N 1 2 201.266 0.300 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC2(C)C)C1 ZINC000531086515 384878952 /nfs/dbraw/zinc/87/89/52/384878952.db2.gz ISGMEYZBDIHKHR-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC2(C)C)C1 ZINC000531086515 384878957 /nfs/dbraw/zinc/87/89/57/384878957.db2.gz ISGMEYZBDIHKHR-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306332552 384885844 /nfs/dbraw/zinc/88/58/44/384885844.db2.gz QPFSVCOCAZUXBU-MWODSPESSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306332552 384885853 /nfs/dbraw/zinc/88/58/53/384885853.db2.gz QPFSVCOCAZUXBU-MWODSPESSA-N 1 2 205.323 0.210 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186496182 384845916 /nfs/dbraw/zinc/84/59/16/384845916.db2.gz CYFMUPMCSWQMTR-UWVGGRQHSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186496182 384845926 /nfs/dbraw/zinc/84/59/26/384845926.db2.gz CYFMUPMCSWQMTR-UWVGGRQHSA-N 1 2 228.317 0.379 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000163766233 384856073 /nfs/dbraw/zinc/85/60/73/384856073.db2.gz FVVJIEGDMZHUDI-SECBINFHSA-N 1 2 225.292 0.549 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccncc1 ZINC000163753519 384856081 /nfs/dbraw/zinc/85/60/81/384856081.db2.gz WTYFXJRDSNPZIM-WDEREUQCSA-N 1 2 236.271 0.190 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccncc1 ZINC000163753519 384856083 /nfs/dbraw/zinc/85/60/83/384856083.db2.gz WTYFXJRDSNPZIM-WDEREUQCSA-N 1 2 236.271 0.190 20 0 BCADLO Cn1cc([C@@H](CO)Nc2cccc[nH+]2)cn1 ZINC000270201908 384867010 /nfs/dbraw/zinc/86/70/10/384867010.db2.gz JTEICFRZQVXEPK-SNVBAGLBSA-N 1 2 218.260 0.961 20 0 BCADLO CCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000370825261 384949905 /nfs/dbraw/zinc/94/99/05/384949905.db2.gz ZHHSSNHCKQJVQY-LLVKDONJSA-N 1 2 237.347 0.293 20 0 BCADLO C[C@H](O)CC[N@H+](C)CC(=O)c1cccn1C ZINC000128549612 384953179 /nfs/dbraw/zinc/95/31/79/384953179.db2.gz BKGOSUYMEDYIHH-JTQLQIEISA-N 1 2 224.304 0.911 20 0 BCADLO C[C@H](O)CC[N@@H+](C)CC(=O)c1cccn1C ZINC000128549612 384953184 /nfs/dbraw/zinc/95/31/84/384953184.db2.gz BKGOSUYMEDYIHH-JTQLQIEISA-N 1 2 224.304 0.911 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000105934751 384891626 /nfs/dbraw/zinc/89/16/26/384891626.db2.gz UWECGXXVKZJXIS-APPZFPTMSA-N 1 2 238.291 0.052 20 0 BCADLO CCc1cc(N)nc(S[C@@H](C)C(N)=O)[nH+]1 ZINC000279122795 384894405 /nfs/dbraw/zinc/89/44/05/384894405.db2.gz URMCYJPUAGFNKT-YFKPBYRVSA-N 1 2 226.305 0.587 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1COCCN1C ZINC000644471563 384900989 /nfs/dbraw/zinc/90/09/89/384900989.db2.gz LUWIQMCHUZHRNL-LLVKDONJSA-N 1 2 249.314 0.968 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267366 384901805 /nfs/dbraw/zinc/90/18/05/384901805.db2.gz MAXOJGADXQHGSK-XVKPBYJWSA-N 1 2 231.271 0.394 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](C)(F)C1 ZINC000336267366 384901814 /nfs/dbraw/zinc/90/18/14/384901814.db2.gz MAXOJGADXQHGSK-XVKPBYJWSA-N 1 2 231.271 0.394 20 0 BCADLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)co1 ZINC000187005576 384903040 /nfs/dbraw/zinc/90/30/40/384903040.db2.gz UMJPBABTANJOAB-UHFFFAOYSA-N 1 2 238.287 0.650 20 0 BCADLO COCCCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000644490799 384911608 /nfs/dbraw/zinc/91/16/08/384911608.db2.gz SUBIRBBASPOMAM-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COCCCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000644490799 384911613 /nfs/dbraw/zinc/91/16/13/384911613.db2.gz SUBIRBBASPOMAM-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000557347342 384915207 /nfs/dbraw/zinc/91/52/07/384915207.db2.gz DWEBGDBHFSHFBB-UHFFFAOYSA-N 1 2 249.314 0.693 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000557347342 384915217 /nfs/dbraw/zinc/91/52/17/384915217.db2.gz DWEBGDBHFSHFBB-UHFFFAOYSA-N 1 2 249.314 0.693 20 0 BCADLO CC1(C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000531097959 384925153 /nfs/dbraw/zinc/92/51/53/384925153.db2.gz ZKTALSFYQFNSGG-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000149271818 384929183 /nfs/dbraw/zinc/92/91/83/384929183.db2.gz GSUDFERTRXMWIR-JTQLQIEISA-N 1 2 205.261 0.796 20 0 BCADLO O=c1[nH]nc(CNc2cc[nH+]cc2Cl)[nH]1 ZINC000301769510 384932318 /nfs/dbraw/zinc/93/23/18/384932318.db2.gz JCMOBTSAVSBASK-UHFFFAOYSA-N 1 2 225.639 0.759 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291837830 384938411 /nfs/dbraw/zinc/93/84/11/384938411.db2.gz JADVXSZNYWLTNQ-BDAKNGLRSA-N 1 2 240.307 0.643 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000312957796 384943224 /nfs/dbraw/zinc/94/32/24/384943224.db2.gz OFHADTOODQNNAM-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000312957796 384943229 /nfs/dbraw/zinc/94/32/29/384943229.db2.gz OFHADTOODQNNAM-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175950541 384985264 /nfs/dbraw/zinc/98/52/64/384985264.db2.gz VXSZHQNYUSDZTC-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175950541 384985272 /nfs/dbraw/zinc/98/52/72/384985272.db2.gz VXSZHQNYUSDZTC-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)sn1 ZINC000404451664 384999938 /nfs/dbraw/zinc/99/99/38/384999938.db2.gz GXCCIOHBNOZMDR-UHFFFAOYSA-N 1 2 209.278 0.859 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000188395826 385049781 /nfs/dbraw/zinc/04/97/81/385049781.db2.gz RVPNPFPOUGQDIE-MWLCHTKSSA-N 1 2 225.292 0.645 20 0 BCADLO CN(CC(C)(C)O)C(=O)C[NH+]1CC(C)(C)C1 ZINC000557635425 385062144 /nfs/dbraw/zinc/06/21/44/385062144.db2.gz INLKUDNFPOGCDD-UHFFFAOYSA-N 1 2 228.336 0.558 20 0 BCADLO COC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000105980604 385063254 /nfs/dbraw/zinc/06/32/54/385063254.db2.gz DHJTUQURAPQBBJ-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000105980604 385063262 /nfs/dbraw/zinc/06/32/62/385063262.db2.gz DHJTUQURAPQBBJ-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646913955 385065464 /nfs/dbraw/zinc/06/54/64/385065464.db2.gz OXUYKUNZOFZPRW-UWVGGRQHSA-N 1 2 237.303 0.190 20 0 BCADLO Cc1nocc1C(=O)NCc1[nH]c[nH+]c1C ZINC000402640584 385066651 /nfs/dbraw/zinc/06/66/51/385066651.db2.gz CNWWYGIQWWWWKR-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CC(C)=CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000188633503 385070285 /nfs/dbraw/zinc/07/02/85/385070285.db2.gz KRUDJHVBUDTSLM-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)=CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000188633503 385070295 /nfs/dbraw/zinc/07/02/95/385070295.db2.gz KRUDJHVBUDTSLM-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCO[C@H]1C1CC1 ZINC000371213740 385073374 /nfs/dbraw/zinc/07/33/74/385073374.db2.gz BMQUCROCDGAMNU-AAEUAGOBSA-N 1 2 249.314 0.957 20 0 BCADLO CC(C)(C)NC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000157104549 385074870 /nfs/dbraw/zinc/07/48/70/385074870.db2.gz LJVLWEAGZPMXNS-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000371213741 385075094 /nfs/dbraw/zinc/07/50/94/385075094.db2.gz BMQUCROCDGAMNU-DGCLKSJQSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1noc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000644619975 385027373 /nfs/dbraw/zinc/02/73/73/385027373.db2.gz MYKLBPNWDAFDMA-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1noc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000644619975 385027380 /nfs/dbraw/zinc/02/73/80/385027380.db2.gz MYKLBPNWDAFDMA-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO O=C(NCc1ncc[nH]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000557595152 385033431 /nfs/dbraw/zinc/03/34/31/385033431.db2.gz FKMGGWVHTKXNAS-VIFPVBQESA-N 1 2 245.286 0.485 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[C@H]2F)CCO1 ZINC000564851208 385034580 /nfs/dbraw/zinc/03/45/80/385034580.db2.gz HXTAECACOBFWRR-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[C@H]2F)CCO1 ZINC000564851208 385034585 /nfs/dbraw/zinc/03/45/85/385034585.db2.gz HXTAECACOBFWRR-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1csnn1 ZINC000130501864 385037568 /nfs/dbraw/zinc/03/75/68/385037568.db2.gz WRJDMCNRWJPWOI-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1csnn1 ZINC000130501864 385037573 /nfs/dbraw/zinc/03/75/73/385037573.db2.gz WRJDMCNRWJPWOI-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000188390051 385045076 /nfs/dbraw/zinc/04/50/76/385045076.db2.gz STEMRDPTVSZJBE-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000188390051 385045083 /nfs/dbraw/zinc/04/50/83/385045083.db2.gz STEMRDPTVSZJBE-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](C(=O)[O-])[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000310547480 385111787 /nfs/dbraw/zinc/11/17/87/385111787.db2.gz VLWSYGONQSBXHO-SECBINFHSA-N 1 2 238.291 0.000 20 0 BCADLO Nc1[nH+]cnc(N2CCS(=O)CC2)c1Cl ZINC000236389904 385117912 /nfs/dbraw/zinc/11/79/12/385117912.db2.gz QRQNLTYMJQEAHC-UHFFFAOYSA-N 1 2 246.723 0.281 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@H](CCO)C2)c1Cl ZINC000236389936 385118379 /nfs/dbraw/zinc/11/83/79/385118379.db2.gz NEHVYHJWCCSJPZ-ZETCQYMHSA-N 1 2 242.710 0.921 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@H](CCO)C2)c1Cl ZINC000236389936 385118385 /nfs/dbraw/zinc/11/83/85/385118385.db2.gz NEHVYHJWCCSJPZ-ZETCQYMHSA-N 1 2 242.710 0.921 20 0 BCADLO CN(C)c1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000407953592 385118898 /nfs/dbraw/zinc/11/88/98/385118898.db2.gz CHLGEZWKQDJGBG-QMMMGPOBSA-N 1 2 226.280 0.356 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000407953592 385118906 /nfs/dbraw/zinc/11/89/06/385118906.db2.gz CHLGEZWKQDJGBG-QMMMGPOBSA-N 1 2 226.280 0.356 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1ncnn1C ZINC000088582923 385131109 /nfs/dbraw/zinc/13/11/09/385131109.db2.gz CUQXORWZKQJJCA-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ncnn1C ZINC000088582923 385131120 /nfs/dbraw/zinc/13/11/20/385131120.db2.gz CUQXORWZKQJJCA-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO Cc1ccnc(NCC[NH+]2CCOCC2)n1 ZINC000061858892 385142306 /nfs/dbraw/zinc/14/23/06/385142306.db2.gz NFVNGPSODUAMAB-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO CSCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306614932 385131519 /nfs/dbraw/zinc/13/15/19/385131519.db2.gz AUZCNHXPXWGQGM-UFBFGSQYSA-N 1 2 207.364 0.802 20 0 BCADLO CSCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306614932 385131529 /nfs/dbraw/zinc/13/15/29/385131529.db2.gz AUZCNHXPXWGQGM-UFBFGSQYSA-N 1 2 207.364 0.802 20 0 BCADLO CSC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000151820228 385135410 /nfs/dbraw/zinc/13/54/10/385135410.db2.gz SWJBHTPKXFSDHT-VIFPVBQESA-N 1 2 242.348 0.934 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407960091 385139175 /nfs/dbraw/zinc/13/91/75/385139175.db2.gz WPGRBGPARNABOK-NXEZZACHSA-N 1 2 234.303 0.131 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407960091 385139179 /nfs/dbraw/zinc/13/91/79/385139179.db2.gz WPGRBGPARNABOK-NXEZZACHSA-N 1 2 234.303 0.131 20 0 BCADLO Cn1cc[nH+]c1CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407960091 385139183 /nfs/dbraw/zinc/13/91/83/385139183.db2.gz WPGRBGPARNABOK-NXEZZACHSA-N 1 2 234.303 0.131 20 0 BCADLO Cc1noc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000407947796 385085308 /nfs/dbraw/zinc/08/53/08/385085308.db2.gz AUUAVJOLKQCHHI-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1noc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000407947796 385085311 /nfs/dbraw/zinc/08/53/11/385085311.db2.gz AUUAVJOLKQCHHI-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000644671856 385085602 /nfs/dbraw/zinc/08/56/02/385085602.db2.gz KDPGREAYKCGRKN-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000644671856 385085604 /nfs/dbraw/zinc/08/56/04/385085604.db2.gz KDPGREAYKCGRKN-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000644671750 385087595 /nfs/dbraw/zinc/08/75/95/385087595.db2.gz QXZXRKORTNUFKS-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000644671750 385087597 /nfs/dbraw/zinc/08/75/97/385087597.db2.gz QXZXRKORTNUFKS-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO COC1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000648280105 385087580 /nfs/dbraw/zinc/08/75/80/385087580.db2.gz UJKKNIJJFJKAKO-UHFFFAOYSA-N 1 2 206.245 0.929 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)C[S@](C)=O)[NH+]1CC(C)C1 ZINC000557670350 385088427 /nfs/dbraw/zinc/08/84/27/385088427.db2.gz WDDCJVMBGGJICA-IEVXNVSRSA-N 1 2 246.376 0.210 20 0 BCADLO Cc1nnc(C[N@H+]2CCCOC[C@H]2C)[nH]1 ZINC000644678389 385089499 /nfs/dbraw/zinc/08/94/99/385089499.db2.gz DCQUBHHXDIJJBK-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCOC[C@H]2C)[nH]1 ZINC000644678389 385089502 /nfs/dbraw/zinc/08/95/02/385089502.db2.gz DCQUBHHXDIJJBK-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@@H]1O ZINC000340575377 385091760 /nfs/dbraw/zinc/09/17/60/385091760.db2.gz SPDLRTWGTIFDHG-UWVGGRQHSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000407948623 385092688 /nfs/dbraw/zinc/09/26/88/385092688.db2.gz JPKLDFPOUMFMCF-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000407948623 385092697 /nfs/dbraw/zinc/09/26/97/385092697.db2.gz JPKLDFPOUMFMCF-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc(C[N@@H+]2CCSC[C@@H]2CCO)n1 ZINC000407948789 385095294 /nfs/dbraw/zinc/09/52/94/385095294.db2.gz KRPSJKGRAWQAAX-VIFPVBQESA-N 1 2 243.332 0.678 20 0 BCADLO Cc1noc(C[N@H+]2CCSC[C@@H]2CCO)n1 ZINC000407948789 385095300 /nfs/dbraw/zinc/09/53/00/385095300.db2.gz KRPSJKGRAWQAAX-VIFPVBQESA-N 1 2 243.332 0.678 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@@](C)(O)C2)nnc1C1CC1 ZINC000407948953 385097695 /nfs/dbraw/zinc/09/76/95/385097695.db2.gz BOJUPSRPBVALGS-GFCCVEGCSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CC[C@@](C)(O)C2)nnc1C1CC1 ZINC000407948953 385097704 /nfs/dbraw/zinc/09/77/04/385097704.db2.gz BOJUPSRPBVALGS-GFCCVEGCSA-N 1 2 236.319 0.649 20 0 BCADLO Cc1cc(C[N@H+](CCO)CCCO)no1 ZINC000304011138 385098550 /nfs/dbraw/zinc/09/85/50/385098550.db2.gz VAZCJROYIZSFQI-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO Cc1cc(C[N@@H+](CCO)CCCO)no1 ZINC000304011138 385098555 /nfs/dbraw/zinc/09/85/55/385098555.db2.gz VAZCJROYIZSFQI-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177121159 385184433 /nfs/dbraw/zinc/18/44/33/385184433.db2.gz JAZGBEYRADCJLO-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048481 385185116 /nfs/dbraw/zinc/18/51/16/385185116.db2.gz YGSRTAQIHHFARL-VLEAKVRGSA-N 1 2 242.319 0.129 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048481 385185121 /nfs/dbraw/zinc/18/51/21/385185121.db2.gz YGSRTAQIHHFARL-VLEAKVRGSA-N 1 2 242.319 0.129 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC000336376802 385202313 /nfs/dbraw/zinc/20/23/13/385202313.db2.gz VJFLSOTXGXCLMU-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC000336376802 385202317 /nfs/dbraw/zinc/20/23/17/385202317.db2.gz VJFLSOTXGXCLMU-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]([NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000647020551 385149485 /nfs/dbraw/zinc/14/94/85/385149485.db2.gz FDLSXRHCLTWQBH-RXMQYKEDSA-N 1 2 230.214 0.747 20 0 BCADLO COC[C@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000189420223 385154031 /nfs/dbraw/zinc/15/40/31/385154031.db2.gz IHRPPPUFMNQIBI-GHMZBOCLSA-N 1 2 239.319 0.656 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)o1 ZINC000177972767 385154550 /nfs/dbraw/zinc/15/45/50/385154550.db2.gz NTJZUUVNWFBIIW-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@](C)(O)C2)o1 ZINC000177972767 385154560 /nfs/dbraw/zinc/15/45/60/385154560.db2.gz NTJZUUVNWFBIIW-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493416080 533106985 /nfs/dbraw/zinc/10/69/85/533106985.db2.gz HJHYSEDUXXVSRD-HYNBTVFTSA-N 1 2 223.276 0.963 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000106879962 385163703 /nfs/dbraw/zinc/16/37/03/385163703.db2.gz RNSKOVUXTRDFOK-SNVBAGLBSA-N 1 2 222.288 0.929 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106879962 385163706 /nfs/dbraw/zinc/16/37/06/385163706.db2.gz RNSKOVUXTRDFOK-SNVBAGLBSA-N 1 2 222.288 0.929 20 0 BCADLO C[C@]1([NH2+]C[C@@H]2CCC=CO2)CCOC1=O ZINC000291050581 385172989 /nfs/dbraw/zinc/17/29/89/385172989.db2.gz ZUDNHTZJXQKHAA-ONGXEEELSA-N 1 2 211.261 0.974 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000557823267 385178439 /nfs/dbraw/zinc/17/84/39/385178439.db2.gz WTXQGCUVAPIZNU-IUCAKERBSA-N 1 2 223.276 0.636 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)COC)C1CC1 ZINC000069054658 385256203 /nfs/dbraw/zinc/25/62/03/385256203.db2.gz FRUDSLJMAIYPRS-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)COC)C1CC1 ZINC000069054658 385256208 /nfs/dbraw/zinc/25/62/08/385256208.db2.gz FRUDSLJMAIYPRS-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]2CCO)no1 ZINC000308854653 385216761 /nfs/dbraw/zinc/21/67/61/385216761.db2.gz IDDSRTRMLUDAKI-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]2CCO)no1 ZINC000308854653 385216771 /nfs/dbraw/zinc/21/67/71/385216771.db2.gz IDDSRTRMLUDAKI-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO CCc1nc(CN2CC[NH+](C)CC2)n[nH]1 ZINC000157561279 385217441 /nfs/dbraw/zinc/21/74/41/385217441.db2.gz ISPDRGHHZPFRNL-UHFFFAOYSA-N 1 2 209.297 0.115 20 0 BCADLO CCN1CCN(c2cc[nH+]c(C)n2)[C@@H](C)C1=O ZINC000491235018 385223003 /nfs/dbraw/zinc/22/30/03/385223003.db2.gz IMTMKMKDSVFYSS-VIFPVBQESA-N 1 2 234.303 0.842 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1CO ZINC000338307430 385227975 /nfs/dbraw/zinc/22/79/75/385227975.db2.gz OONOVBLCRIDSNY-SNVBAGLBSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1CO ZINC000338307430 385227982 /nfs/dbraw/zinc/22/79/82/385227982.db2.gz OONOVBLCRIDSNY-SNVBAGLBSA-N 1 2 238.335 0.990 20 0 BCADLO Cc1nc(NCc2nccs2)nc(N)[nH+]1 ZINC000308866458 385233315 /nfs/dbraw/zinc/23/33/15/385233315.db2.gz LGWFRKNCFSVJLT-UHFFFAOYSA-N 1 2 222.277 0.831 20 0 BCADLO Cc1nc(N)nc(NCc2nccs2)[nH+]1 ZINC000308866458 385233316 /nfs/dbraw/zinc/23/33/16/385233316.db2.gz LGWFRKNCFSVJLT-UHFFFAOYSA-N 1 2 222.277 0.831 20 0 BCADLO COCC[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000172069839 385205062 /nfs/dbraw/zinc/20/50/62/385205062.db2.gz FHINZVBUUVFESW-SNVBAGLBSA-N 1 2 213.281 0.287 20 0 BCADLO Cc1nc(NC[C@H](O)C2CCC2)nc(N)[nH+]1 ZINC000316610896 385305209 /nfs/dbraw/zinc/30/52/09/385305209.db2.gz QQGSVSBDGRUWDQ-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)C2CCC2)[nH+]1 ZINC000316610896 385305215 /nfs/dbraw/zinc/30/52/15/385305215.db2.gz QQGSVSBDGRUWDQ-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC ZINC000308965641 385318727 /nfs/dbraw/zinc/31/87/27/385318727.db2.gz VKSRUPFREZDKCY-WPRPVWTQSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)cn1 ZINC000168235969 385322183 /nfs/dbraw/zinc/32/21/83/385322183.db2.gz QMIBNWKZMUAVBF-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@H]1c1ccccc1 ZINC000034263500 385275206 /nfs/dbraw/zinc/27/52/06/385275206.db2.gz BYUTUHFMEWRMGB-NSHDSACASA-N 1 2 220.272 0.152 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@H]1c1ccccc1 ZINC000034263500 385275213 /nfs/dbraw/zinc/27/52/13/385275213.db2.gz BYUTUHFMEWRMGB-NSHDSACASA-N 1 2 220.272 0.152 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000364232356 385277186 /nfs/dbraw/zinc/27/71/86/385277186.db2.gz YPHLWQHVOLDXTH-MNOVXSKESA-N 1 2 236.319 0.959 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000364232356 385277192 /nfs/dbraw/zinc/27/71/92/385277192.db2.gz YPHLWQHVOLDXTH-MNOVXSKESA-N 1 2 236.319 0.959 20 0 BCADLO COC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000130701090 385278167 /nfs/dbraw/zinc/27/81/67/385278167.db2.gz YXLUGCUPRFYVHG-GFCCVEGCSA-N 1 2 235.283 0.751 20 0 BCADLO COC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000130701090 385278173 /nfs/dbraw/zinc/27/81/73/385278173.db2.gz YXLUGCUPRFYVHG-GFCCVEGCSA-N 1 2 235.283 0.751 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000364232357 385278338 /nfs/dbraw/zinc/27/83/38/385278338.db2.gz YPHLWQHVOLDXTH-QWRGUYRKSA-N 1 2 236.319 0.959 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000364232357 385278344 /nfs/dbraw/zinc/27/83/44/385278344.db2.gz YPHLWQHVOLDXTH-QWRGUYRKSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc[nH]n1 ZINC000130880897 385292222 /nfs/dbraw/zinc/29/22/22/385292222.db2.gz NNAZVSLYHSKATK-CLAHSXSESA-N 1 2 215.322 0.609 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc[nH]n1 ZINC000130880897 385292226 /nfs/dbraw/zinc/29/22/26/385292226.db2.gz NNAZVSLYHSKATK-CLAHSXSESA-N 1 2 215.322 0.609 20 0 BCADLO COC[C@](C)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000308929958 385294500 /nfs/dbraw/zinc/29/45/00/385294500.db2.gz JGDFGTDHKDFSQY-WPRPVWTQSA-N 1 2 221.272 0.902 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCn1cccn1 ZINC000357978942 385294679 /nfs/dbraw/zinc/29/46/79/385294679.db2.gz TVGFQNRGVBNKTL-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO COCCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000178529831 385295919 /nfs/dbraw/zinc/29/59/19/385295919.db2.gz LVKXGBCMNAXIAE-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CC(C)[N@H+](CCCS(N)(=O)=O)CC(F)F ZINC000178559919 385299348 /nfs/dbraw/zinc/29/93/48/385299348.db2.gz OBLYWTGKKOLXKX-UHFFFAOYSA-N 1 2 244.307 0.641 20 0 BCADLO CC(C)[N@@H+](CCCS(N)(=O)=O)CC(F)F ZINC000178559919 385299354 /nfs/dbraw/zinc/29/93/54/385299354.db2.gz OBLYWTGKKOLXKX-UHFFFAOYSA-N 1 2 244.307 0.641 20 0 BCADLO C[N@H+](CC(=O)NCC(C)(C)C)C(C)(C)C(N)=O ZINC000625449859 385300195 /nfs/dbraw/zinc/30/01/95/385300195.db2.gz BHOADIBCOCCKOT-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO C[N@@H+](CC(=O)NCC(C)(C)C)C(C)(C)C(N)=O ZINC000625449859 385300197 /nfs/dbraw/zinc/30/01/97/385300197.db2.gz BHOADIBCOCCKOT-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)C1CC1 ZINC000359820506 385332892 /nfs/dbraw/zinc/33/28/92/385332892.db2.gz KHSIODPQAZKCJG-JTQLQIEISA-N 1 2 237.303 0.477 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)C1CC1 ZINC000359820506 385332898 /nfs/dbraw/zinc/33/28/98/385332898.db2.gz KHSIODPQAZKCJG-JTQLQIEISA-N 1 2 237.303 0.477 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+](CCO)CCCO ZINC000109798521 385335826 /nfs/dbraw/zinc/33/58/26/385335826.db2.gz MSWTZYAUJXMOTH-UHFFFAOYSA-N 1 2 233.308 0.005 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+](CCO)CCCO ZINC000109798521 385335828 /nfs/dbraw/zinc/33/58/28/385335828.db2.gz MSWTZYAUJXMOTH-UHFFFAOYSA-N 1 2 233.308 0.005 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cn[nH]n1 ZINC000108638644 385337721 /nfs/dbraw/zinc/33/77/21/385337721.db2.gz DXXVJFAFRKGEJR-UHFFFAOYSA-N 1 2 234.263 0.211 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cnn[nH]1 ZINC000108638644 385337725 /nfs/dbraw/zinc/33/77/25/385337725.db2.gz DXXVJFAFRKGEJR-UHFFFAOYSA-N 1 2 234.263 0.211 20 0 BCADLO CC[C@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000131764982 385360491 /nfs/dbraw/zinc/36/04/91/385360491.db2.gz DQCOIZVFWOEXCA-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H](CCO)NC(=O)NCCCn1cc[nH+]c1 ZINC000154841735 385360644 /nfs/dbraw/zinc/36/06/44/385360644.db2.gz XGNJCFOXLVDNSN-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000408002971 385362326 /nfs/dbraw/zinc/36/23/26/385362326.db2.gz VTOLJXQPGIJCLB-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000408002971 385362329 /nfs/dbraw/zinc/36/23/29/385362329.db2.gz VTOLJXQPGIJCLB-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1ncc2c1nc(NCCF)[nH+]c2N ZINC000280787155 385373744 /nfs/dbraw/zinc/37/37/44/385373744.db2.gz QDESSKOHPDYCLG-UHFFFAOYSA-N 1 2 210.216 0.327 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000179357598 385374407 /nfs/dbraw/zinc/37/44/07/385374407.db2.gz FKJHOABBIPUWJG-GFCCVEGCSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000179357598 385374412 /nfs/dbraw/zinc/37/44/12/385374412.db2.gz FKJHOABBIPUWJG-GFCCVEGCSA-N 1 2 238.335 0.953 20 0 BCADLO CCCc1noc(C[N@H+](CCO)CCCO)n1 ZINC000110116138 385383522 /nfs/dbraw/zinc/38/35/22/385383522.db2.gz MKSDZQPAKLGCQJ-UHFFFAOYSA-N 1 2 243.307 0.199 20 0 BCADLO CCCc1noc(C[N@@H+](CCO)CCCO)n1 ZINC000110116138 385383527 /nfs/dbraw/zinc/38/35/27/385383527.db2.gz MKSDZQPAKLGCQJ-UHFFFAOYSA-N 1 2 243.307 0.199 20 0 BCADLO CCN(C)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000408059591 385385191 /nfs/dbraw/zinc/38/51/91/385385191.db2.gz QYXSRULNPZBMKB-UHFFFAOYSA-N 1 2 246.336 0.048 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)s1 ZINC000308983771 385325697 /nfs/dbraw/zinc/32/56/97/385325697.db2.gz JBIFLHUWZMMIQV-ARDNSNSESA-N 1 2 229.305 0.257 20 0 BCADLO C[C@H](CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178587283 385394185 /nfs/dbraw/zinc/39/41/85/385394185.db2.gz JYEMMIIKNILIJO-VIFPVBQESA-N 1 2 233.271 0.693 20 0 BCADLO CCCC[N@H+](CCOC)Cc1nnn(C)n1 ZINC000193368164 385395411 /nfs/dbraw/zinc/39/54/11/385395411.db2.gz VEIIGDLEEORFCS-UHFFFAOYSA-N 1 2 227.312 0.459 20 0 BCADLO CCCC[N@@H+](CCOC)Cc1nnn(C)n1 ZINC000193368164 385395416 /nfs/dbraw/zinc/39/54/16/385395416.db2.gz VEIIGDLEEORFCS-UHFFFAOYSA-N 1 2 227.312 0.459 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC000193479407 385398280 /nfs/dbraw/zinc/39/82/80/385398280.db2.gz VHVHEYFGPAURJF-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC000193479407 385398284 /nfs/dbraw/zinc/39/82/84/385398284.db2.gz VHVHEYFGPAURJF-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO COC(=O)CCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362067338 385414765 /nfs/dbraw/zinc/41/47/65/385414765.db2.gz QFQQQSGNSZMAOZ-NXEZZACHSA-N 1 2 247.360 0.781 20 0 BCADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)nn1C ZINC000301879875 385442513 /nfs/dbraw/zinc/44/25/13/385442513.db2.gz IFVZKLDSSOMEMG-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO C[C@H]1C[C@@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492845547 385448950 /nfs/dbraw/zinc/44/89/50/385448950.db2.gz YYGLFIJUSUWLCD-JJHDRXPHSA-N 1 2 235.287 0.795 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)CCNC(C)=O ZINC000308124662 385458404 /nfs/dbraw/zinc/45/84/04/385458404.db2.gz XGHVZVQSQDGJEB-JTQLQIEISA-N 1 2 228.292 0.006 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)CCNC(C)=O ZINC000308124662 385458409 /nfs/dbraw/zinc/45/84/09/385458409.db2.gz XGHVZVQSQDGJEB-JTQLQIEISA-N 1 2 228.292 0.006 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000309141312 385432319 /nfs/dbraw/zinc/43/23/19/385432319.db2.gz HDWCZUFLUOAVOV-IUCAKERBSA-N 1 2 233.333 0.660 20 0 BCADLO CCOC[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000194439630 385434951 /nfs/dbraw/zinc/43/49/51/385434951.db2.gz IRHJTIQQLLUZAD-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CCOC[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194439630 385434958 /nfs/dbraw/zinc/43/49/58/385434958.db2.gz IRHJTIQQLLUZAD-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CSC[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194440858 385435058 /nfs/dbraw/zinc/43/50/58/385435058.db2.gz FTLPMOOVLCGOKB-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO CSC[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194440858 385435061 /nfs/dbraw/zinc/43/50/61/385435061.db2.gz FTLPMOOVLCGOKB-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO CS[C@@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194441338 385435203 /nfs/dbraw/zinc/43/52/03/385435203.db2.gz HTMWQOCXZPPNAF-SECBINFHSA-N 1 2 241.364 0.928 20 0 BCADLO CS[C@@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194441338 385435206 /nfs/dbraw/zinc/43/52/06/385435206.db2.gz HTMWQOCXZPPNAF-SECBINFHSA-N 1 2 241.364 0.928 20 0 BCADLO CSC[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194440842 385436001 /nfs/dbraw/zinc/43/60/01/385436001.db2.gz FTLPMOOVLCGOKB-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO CSC[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194440842 385436005 /nfs/dbraw/zinc/43/60/05/385436005.db2.gz FTLPMOOVLCGOKB-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000179457981 385468153 /nfs/dbraw/zinc/46/81/53/385468153.db2.gz ZDVIACBZOMCETA-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000179457981 385468156 /nfs/dbraw/zinc/46/81/56/385468156.db2.gz ZDVIACBZOMCETA-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364497583 385473588 /nfs/dbraw/zinc/47/35/88/385473588.db2.gz ZBEBOPCKPFBNPN-LLVKDONJSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364497583 385473592 /nfs/dbraw/zinc/47/35/92/385473592.db2.gz ZBEBOPCKPFBNPN-LLVKDONJSA-N 1 2 222.292 0.426 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccon1 ZINC000171416792 385483922 /nfs/dbraw/zinc/48/39/22/385483922.db2.gz VZHCAKSJTUNCDR-UHFFFAOYSA-N 1 2 239.275 0.079 20 0 BCADLO Cn1ncc2c1nc(N1CCCOCC1)[nH+]c2N ZINC000364614600 385484742 /nfs/dbraw/zinc/48/47/42/385484742.db2.gz FIVRZKBUUVNOLV-UHFFFAOYSA-N 1 2 248.290 0.172 20 0 BCADLO CC[N@H+](CCOCCO)Cc1cscn1 ZINC000281906105 385459066 /nfs/dbraw/zinc/45/90/66/385459066.db2.gz BVJALAZPDUEVEB-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1cscn1 ZINC000281906105 385459069 /nfs/dbraw/zinc/45/90/69/385459069.db2.gz BVJALAZPDUEVEB-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CO)CCCC1 ZINC000492902110 385462580 /nfs/dbraw/zinc/46/25/80/385462580.db2.gz QNSDYVFHINBYFK-ONEGZZNKSA-N 1 2 235.287 0.844 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCN(C)C1=O ZINC000179865783 385496003 /nfs/dbraw/zinc/49/60/03/385496003.db2.gz POPIUECNPGKIOO-JTQLQIEISA-N 1 2 248.286 0.742 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000644125844 385503424 /nfs/dbraw/zinc/50/34/24/385503424.db2.gz NRYUGXMGHZODJK-KOLCDFICSA-N 1 2 237.303 0.331 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(C)(CO)CO)no1 ZINC000157519931 385505419 /nfs/dbraw/zinc/50/54/19/385505419.db2.gz ZXQUUQZZJVHNNV-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1cc(C[N@H+](C)CC(C)(CO)CO)no1 ZINC000157519931 385505424 /nfs/dbraw/zinc/50/54/24/385505424.db2.gz ZXQUUQZZJVHNNV-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(O)CCCC2)[nH]1 ZINC000309279969 385508976 /nfs/dbraw/zinc/50/89/76/385508976.db2.gz FLOUONACYHKWPZ-UHFFFAOYSA-N 1 2 224.308 0.850 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(O)CCCC2)[nH]1 ZINC000309279969 385508978 /nfs/dbraw/zinc/50/89/78/385508978.db2.gz FLOUONACYHKWPZ-UHFFFAOYSA-N 1 2 224.308 0.850 20 0 BCADLO CCN(c1cc(-n2cc[nH+]c2)ncn1)[C@H](C)CO ZINC000644131773 385511207 /nfs/dbraw/zinc/51/12/07/385511207.db2.gz XXTXLDPXXNKJNK-SNVBAGLBSA-N 1 2 247.302 0.869 20 0 BCADLO Cc1nc(N2CCO[C@H]3C[C@H]32)nc(N(C)C)[nH+]1 ZINC000644135438 385516544 /nfs/dbraw/zinc/51/65/44/385516544.db2.gz GBQZZWBHDHBFMU-BDAKNGLRSA-N 1 2 235.291 0.224 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000644135438 385516551 /nfs/dbraw/zinc/51/65/51/385516551.db2.gz GBQZZWBHDHBFMU-BDAKNGLRSA-N 1 2 235.291 0.224 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@H]2CO)no1 ZINC000334291429 385533119 /nfs/dbraw/zinc/53/31/19/385533119.db2.gz DGVQHLKABRPOPU-SNVBAGLBSA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@H]2CO)no1 ZINC000334291429 385533120 /nfs/dbraw/zinc/53/31/20/385533120.db2.gz DGVQHLKABRPOPU-SNVBAGLBSA-N 1 2 228.317 0.893 20 0 BCADLO CN(C)c1ccc(NCc2cnnn2C)c[nH+]1 ZINC000158120392 385548771 /nfs/dbraw/zinc/54/87/71/385548771.db2.gz ZTLXLBOMNNAMRJ-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO Cc1nnc(C[NH2+][C@@](C)(C(N)=O)C(C)C)s1 ZINC000289454300 385543572 /nfs/dbraw/zinc/54/35/72/385543572.db2.gz XPJUMZYUKYBOSL-SNVBAGLBSA-N 1 2 242.348 0.836 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1CO ZINC000364955083 385546692 /nfs/dbraw/zinc/54/66/92/385546692.db2.gz PQUMUCZCUDILPQ-QWRGUYRKSA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(CO)CC[NH+](Cc2nnnn2C)CC1 ZINC000408033216 385520537 /nfs/dbraw/zinc/52/05/37/385520537.db2.gz IXYHTMTYIQDDTH-UHFFFAOYSA-N 1 2 239.323 0.195 20 0 BCADLO C[C@H]1C[C@@H](O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493115572 385522610 /nfs/dbraw/zinc/52/26/10/385522610.db2.gz IOGMYGIKBWMBHF-AQHVTNBVSA-N 1 2 235.287 0.795 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2ccn[nH]2)[C@H]2CCCCN12 ZINC000302443611 385525386 /nfs/dbraw/zinc/52/53/86/385525386.db2.gz NSPCNJLXXYZCRA-WDEREUQCSA-N 1 2 234.303 0.653 20 0 BCADLO COCc1nsc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000643030556 385525518 /nfs/dbraw/zinc/52/55/18/385525518.db2.gz ZDQZEAKNNXVDIX-JGVFFNPUSA-N 1 2 242.348 0.788 20 0 BCADLO COCc1nsc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000643030557 385526307 /nfs/dbraw/zinc/52/63/07/385526307.db2.gz ZDQZEAKNNXVDIX-SFYZADRCSA-N 1 2 242.348 0.788 20 0 BCADLO CO[C@@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000180832832 385549744 /nfs/dbraw/zinc/54/97/44/385549744.db2.gz IJKRLACVTLZVAY-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCCCN1 ZINC000647694035 385551777 /nfs/dbraw/zinc/55/17/77/385551777.db2.gz DBTWQSJKGIPKJD-UHFFFAOYSA-N 1 2 222.292 0.480 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N(C)C ZINC000334501366 385561561 /nfs/dbraw/zinc/56/15/61/385561561.db2.gz QJJJURGEULLFTQ-JTQLQIEISA-N 1 2 229.324 0.321 20 0 BCADLO COC[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000408148562 385565371 /nfs/dbraw/zinc/56/53/71/385565371.db2.gz CBCQWNANGVBUIB-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408148562 385565375 /nfs/dbraw/zinc/56/53/75/385565375.db2.gz CBCQWNANGVBUIB-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)S(C)(=O)=O ZINC000337329780 385598957 /nfs/dbraw/zinc/59/89/57/385598957.db2.gz SUJLAWFERRLVJR-MRVPVSSYSA-N 1 2 242.300 0.184 20 0 BCADLO Cc1ccncc1C[NH+]1CCN(CCO)CC1 ZINC000269503540 385599510 /nfs/dbraw/zinc/59/95/10/385599510.db2.gz FRKNFIJOQWKLKE-UHFFFAOYSA-N 1 2 235.331 0.500 20 0 BCADLO COC[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000280767761 385601682 /nfs/dbraw/zinc/60/16/82/385601682.db2.gz HANABYVPCWKJJP-SNVBAGLBSA-N 1 2 239.275 0.519 20 0 BCADLO COC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309440412 385582779 /nfs/dbraw/zinc/58/27/79/385582779.db2.gz IICMTWUMOAISJQ-ZETCQYMHSA-N 1 2 225.296 0.693 20 0 BCADLO COC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309440412 385582782 /nfs/dbraw/zinc/58/27/82/385582782.db2.gz IICMTWUMOAISJQ-ZETCQYMHSA-N 1 2 225.296 0.693 20 0 BCADLO CC(=O)c1cc(C(=O)NCC[NH+]2CCC2)n(C)c1 ZINC000337300691 385589128 /nfs/dbraw/zinc/58/91/28/385589128.db2.gz WPQIARBVTGQKLV-UHFFFAOYSA-N 1 2 249.314 0.663 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+](C[C@@H]1CNC(=O)O1)C2 ZINC000495584650 385614105 /nfs/dbraw/zinc/61/41/05/385614105.db2.gz JYJAHYHQDSOGMZ-JTQLQIEISA-N 1 2 248.286 0.252 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+](C[C@@H]1CNC(=O)O1)C2 ZINC000495584650 385614114 /nfs/dbraw/zinc/61/41/14/385614114.db2.gz JYJAHYHQDSOGMZ-JTQLQIEISA-N 1 2 248.286 0.252 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)C1(CO)CC1 ZINC000331497940 385615220 /nfs/dbraw/zinc/61/52/20/385615220.db2.gz OADJXHDIVAYPKM-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)C1(CO)CC1 ZINC000331497940 385615224 /nfs/dbraw/zinc/61/52/24/385615224.db2.gz OADJXHDIVAYPKM-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO O=C1CCCN1CCN1CCn2c[nH+]cc2C1 ZINC000647939452 385617056 /nfs/dbraw/zinc/61/70/56/385617056.db2.gz OEVWNDUFGNRLEY-UHFFFAOYSA-N 1 2 234.303 0.321 20 0 BCADLO C[C@H](CO)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000269647730 385618487 /nfs/dbraw/zinc/61/84/87/385618487.db2.gz SUWHOIUNFPNFNJ-QMMMGPOBSA-N 1 2 248.290 0.285 20 0 BCADLO Cn1nncc1CNc1ccc(CO)c[nH+]1 ZINC000309490657 385619564 /nfs/dbraw/zinc/61/95/64/385619564.db2.gz INDNRMFSIJPUKM-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO O=C1CCC[C@H]1[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000365161344 385621503 /nfs/dbraw/zinc/62/15/03/385621503.db2.gz UYZPTYDBMBBJLE-RYUDHWBXSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@H]1[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000365161344 385621506 /nfs/dbraw/zinc/62/15/06/385621506.db2.gz UYZPTYDBMBBJLE-RYUDHWBXSA-N 1 2 249.314 0.980 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000269659808 385621723 /nfs/dbraw/zinc/62/17/23/385621723.db2.gz XGAYJMZVVWLESB-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000269659808 385621728 /nfs/dbraw/zinc/62/17/28/385621728.db2.gz XGAYJMZVVWLESB-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000369337127 385627981 /nfs/dbraw/zinc/62/79/81/385627981.db2.gz AAPCCPBHXGIBED-QFYYESIMSA-N 1 2 247.360 0.640 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000369337127 385627984 /nfs/dbraw/zinc/62/79/84/385627984.db2.gz AAPCCPBHXGIBED-QFYYESIMSA-N 1 2 247.360 0.640 20 0 BCADLO CN(C)c1ccc(NCc2cnn(C)n2)c[nH+]1 ZINC000293533359 385633624 /nfs/dbraw/zinc/63/36/24/385633624.db2.gz JNCGKONFDAPSJE-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CCONC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367756542 385613747 /nfs/dbraw/zinc/61/37/47/385613747.db2.gz GGWQBASDEQDKOL-ZETCQYMHSA-N 1 2 224.264 0.518 20 0 BCADLO CCONC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367756542 385613755 /nfs/dbraw/zinc/61/37/55/385613755.db2.gz GGWQBASDEQDKOL-ZETCQYMHSA-N 1 2 224.264 0.518 20 0 BCADLO Cc1[nH]c(C(=O)N[C@]2(C)CCOC2)c[nH+]1 ZINC000270061419 385664750 /nfs/dbraw/zinc/66/47/50/385664750.db2.gz BFKRSNUWNYIPSG-SNVBAGLBSA-N 1 2 209.249 0.627 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368967306 385641054 /nfs/dbraw/zinc/64/10/54/385641054.db2.gz WQPUZKJLGBXQKU-ZMLRMANQSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368967306 385641060 /nfs/dbraw/zinc/64/10/60/385641060.db2.gz WQPUZKJLGBXQKU-ZMLRMANQSA-N 1 2 248.330 0.804 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270058394 385665112 /nfs/dbraw/zinc/66/51/12/385665112.db2.gz HBDNDBZOKLNVGT-LURJTMIESA-N 1 2 225.248 0.257 20 0 BCADLO COC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493653990 533137734 /nfs/dbraw/zinc/13/77/34/533137734.db2.gz ZEWTXCUFQIICBX-PBKGFPTLSA-N 1 2 235.287 0.918 20 0 BCADLO COC[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493463203 533137881 /nfs/dbraw/zinc/13/78/81/533137881.db2.gz OTKVZCFIOOQWHD-PBKGFPTLSA-N 1 2 235.287 0.918 20 0 BCADLO COC(=O)CCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337421391 385653911 /nfs/dbraw/zinc/65/39/11/385653911.db2.gz UVGKRMZDWWKBNH-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337421391 385653916 /nfs/dbraw/zinc/65/39/16/385653916.db2.gz UVGKRMZDWWKBNH-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CCO)C(C)C)c[nH+]1 ZINC000270036834 385660840 /nfs/dbraw/zinc/66/08/40/385660840.db2.gz CCQAYSFKKCUEPQ-SECBINFHSA-N 1 2 225.292 0.855 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005077 385661618 /nfs/dbraw/zinc/66/16/18/385661618.db2.gz JAOQNXZHNRHGKC-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005077 385661624 /nfs/dbraw/zinc/66/16/24/385661624.db2.gz JAOQNXZHNRHGKC-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000408207645 385661633 /nfs/dbraw/zinc/66/16/33/385661633.db2.gz IOYBNBIZONSIDW-MWLCHTKSSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000408207645 385661638 /nfs/dbraw/zinc/66/16/38/385661638.db2.gz IOYBNBIZONSIDW-MWLCHTKSSA-N 1 2 240.307 0.051 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCO1 ZINC000270113449 385672061 /nfs/dbraw/zinc/67/20/61/385672061.db2.gz KENFIAWCMDGVBQ-SECBINFHSA-N 1 2 223.276 0.558 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000340013551 385673338 /nfs/dbraw/zinc/67/33/38/385673338.db2.gz FYQNGZCATMNWOF-QMMMGPOBSA-N 1 2 249.318 0.974 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000340013551 385673341 /nfs/dbraw/zinc/67/33/41/385673341.db2.gz FYQNGZCATMNWOF-QMMMGPOBSA-N 1 2 249.318 0.974 20 0 BCADLO COC(=O)C1(NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000270157526 385677406 /nfs/dbraw/zinc/67/74/06/385677406.db2.gz XZTTVGIMMHDLLU-UHFFFAOYSA-N 1 2 237.259 0.544 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccon1 ZINC000309553760 385686801 /nfs/dbraw/zinc/68/68/01/385686801.db2.gz JAMWJBASRBAEPX-WCBMZHEXSA-N 1 2 223.276 0.994 20 0 BCADLO COC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493653992 533139091 /nfs/dbraw/zinc/13/90/91/533139091.db2.gz ZEWTXCUFQIICBX-ZMWSMAPVSA-N 1 2 235.287 0.918 20 0 BCADLO COC(=O)C[N@H+](C)CCCc1nc(C)no1 ZINC000270296306 385694768 /nfs/dbraw/zinc/69/47/68/385694768.db2.gz NXVMATKJTVWWBR-UHFFFAOYSA-N 1 2 227.264 0.415 20 0 BCADLO COC(=O)C[N@@H+](C)CCCc1nc(C)no1 ZINC000270296306 385694775 /nfs/dbraw/zinc/69/47/75/385694775.db2.gz NXVMATKJTVWWBR-UHFFFAOYSA-N 1 2 227.264 0.415 20 0 BCADLO C[N@H+](CCOCCO)Cc1cocn1 ZINC000337525636 385695568 /nfs/dbraw/zinc/69/55/68/385695568.db2.gz BJVGYSOWEBHKIB-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO C[N@@H+](CCOCCO)Cc1cocn1 ZINC000337525636 385695572 /nfs/dbraw/zinc/69/55/72/385695572.db2.gz BJVGYSOWEBHKIB-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO C[C@@H](CNC(=O)c1cn(C)cn1)Cn1cc[nH+]c1 ZINC000270338232 385699494 /nfs/dbraw/zinc/69/94/94/385699494.db2.gz PLMUDVSFDNUPCK-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@@](C)(O)C1CC1 ZINC000270098595 385669909 /nfs/dbraw/zinc/66/99/09/385669909.db2.gz YZOIKUKIASSEJW-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO CCCCCN(CC(N)=O)Cc1[nH+]ccn1C ZINC000183059790 385731642 /nfs/dbraw/zinc/73/16/42/385731642.db2.gz NYITTXXIHVQZQA-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO Nc1ccnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000309604755 385737993 /nfs/dbraw/zinc/73/79/93/385737993.db2.gz KXKNOKMDTGHKJT-MRVPVSSYSA-N 1 2 220.276 0.016 20 0 BCADLO Nc1ccnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000309604755 385737996 /nfs/dbraw/zinc/73/79/96/385737996.db2.gz KXKNOKMDTGHKJT-MRVPVSSYSA-N 1 2 220.276 0.016 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@](F)(CO)C2)c1Cl ZINC000309612141 385747506 /nfs/dbraw/zinc/74/75/06/385747506.db2.gz MWCOTTGCULNHJI-VIFPVBQESA-N 1 2 246.673 0.623 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@](F)(CO)C2)c1Cl ZINC000309612141 385747511 /nfs/dbraw/zinc/74/75/11/385747511.db2.gz MWCOTTGCULNHJI-VIFPVBQESA-N 1 2 246.673 0.623 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1CCn1cc[nH+]c1 ZINC000270843281 385751229 /nfs/dbraw/zinc/75/12/29/385751229.db2.gz GIRFCKKXSIRNNI-OHUAYANFSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000270843281 385751230 /nfs/dbraw/zinc/75/12/30/385751230.db2.gz GIRFCKKXSIRNNI-OHUAYANFSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCn1ccnc1 ZINC000270843281 385751234 /nfs/dbraw/zinc/75/12/34/385751234.db2.gz GIRFCKKXSIRNNI-OHUAYANFSA-N 1 2 241.360 0.724 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CC(C)(C)OC2=O)c[nH+]1 ZINC000270857125 385752869 /nfs/dbraw/zinc/75/28/69/385752869.db2.gz MPOXXNCRLQGCGL-SSDOTTSWSA-N 1 2 237.259 0.542 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ncon2)c[nH+]1 ZINC000270910817 385757724 /nfs/dbraw/zinc/75/77/24/385757724.db2.gz BJOKDEPFDRIFSB-YFKPBYRVSA-N 1 2 221.220 0.592 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000270992758 385766744 /nfs/dbraw/zinc/76/67/44/385766744.db2.gz YEJADZVOLISSNL-NSHDSACASA-N 1 2 235.287 0.871 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000270992758 385766750 /nfs/dbraw/zinc/76/67/50/385766750.db2.gz YEJADZVOLISSNL-NSHDSACASA-N 1 2 235.287 0.871 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282716488 385780854 /nfs/dbraw/zinc/78/08/54/385780854.db2.gz LSIDZBTYVQGINB-SNVBAGLBSA-N 1 2 238.335 0.857 20 0 BCADLO CC(C)n1cc(C[N@H+](C)CC(N)=O)cn1 ZINC000271063897 385782133 /nfs/dbraw/zinc/78/21/33/385782133.db2.gz ZHUAETPGFYINSZ-UHFFFAOYSA-N 1 2 210.281 0.381 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)CC(N)=O)cn1 ZINC000271063897 385782139 /nfs/dbraw/zinc/78/21/39/385782139.db2.gz ZHUAETPGFYINSZ-UHFFFAOYSA-N 1 2 210.281 0.381 20 0 BCADLO CC[C@H](COC)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336740687 385720182 /nfs/dbraw/zinc/72/01/82/385720182.db2.gz USSIKZPMSHOJBI-DTWKUNHWSA-N 1 2 212.297 0.891 20 0 BCADLO CC[N@H+](CC(=O)Nc1nc(OC)n[nH]1)C1CC1 ZINC000182998936 385727204 /nfs/dbraw/zinc/72/72/04/385727204.db2.gz PDFPNYBFUKVYEU-UHFFFAOYSA-N 1 2 239.279 0.236 20 0 BCADLO CC[N@@H+](CC(=O)Nc1nc(OC)n[nH]1)C1CC1 ZINC000182998936 385727211 /nfs/dbraw/zinc/72/72/11/385727211.db2.gz PDFPNYBFUKVYEU-UHFFFAOYSA-N 1 2 239.279 0.236 20 0 BCADLO CC(C)n1cc(C[NH2+]CC(=O)NC2CC2)nn1 ZINC000336711210 385800101 /nfs/dbraw/zinc/80/01/01/385800101.db2.gz POHIEBVWKOGHTL-UHFFFAOYSA-N 1 2 237.307 0.227 20 0 BCADLO COCc1noc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000186827174 385802694 /nfs/dbraw/zinc/80/26/94/385802694.db2.gz ARPPSBMDSFWWED-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO COCc1noc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000186827174 385802701 /nfs/dbraw/zinc/80/27/01/385802701.db2.gz ARPPSBMDSFWWED-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCO ZINC000283116535 385810427 /nfs/dbraw/zinc/81/04/27/385810427.db2.gz YBEFWQVDTKINSX-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ncnn2C(C)C)c[nH+]1 ZINC000283123978 385810799 /nfs/dbraw/zinc/81/07/99/385810799.db2.gz IPUGIIAISMLHLT-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)CC[C@@H]1O ZINC000186898625 385812158 /nfs/dbraw/zinc/81/21/58/385812158.db2.gz AGLMTMZZPDOWRD-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)CC[C@@H]1O ZINC000186898625 385812163 /nfs/dbraw/zinc/81/21/63/385812163.db2.gz AGLMTMZZPDOWRD-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]Cc1cn[nH]n1 ZINC000283966455 385812204 /nfs/dbraw/zinc/81/22/04/385812204.db2.gz LUWXLAQVOWLLFX-QMMMGPOBSA-N 1 2 206.253 0.180 20 0 BCADLO Cc1nn(C)cc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283238800 385814580 /nfs/dbraw/zinc/81/45/80/385814580.db2.gz UAWRHFQATDOORE-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCc1cnccn1 ZINC000271294329 385814642 /nfs/dbraw/zinc/81/46/42/385814642.db2.gz CWXGZKRASJHNGD-VIFPVBQESA-N 1 2 223.276 0.512 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCc1cnccn1 ZINC000271294329 385814645 /nfs/dbraw/zinc/81/46/45/385814645.db2.gz CWXGZKRASJHNGD-VIFPVBQESA-N 1 2 223.276 0.512 20 0 BCADLO CC(C)OCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186950172 385816949 /nfs/dbraw/zinc/81/69/49/385816949.db2.gz ZCPUAZJFRUVTAJ-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186950172 385816953 /nfs/dbraw/zinc/81/69/53/385816953.db2.gz ZCPUAZJFRUVTAJ-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO COC(=O)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283556912 385821900 /nfs/dbraw/zinc/82/19/00/385821900.db2.gz UMIHMGXJICVFLM-GKQMSVHHSA-N 1 2 249.270 0.444 20 0 BCADLO COC(=O)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283556915 385822318 /nfs/dbraw/zinc/82/23/18/385822318.db2.gz UMIHMGXJICVFLM-HPOULIHZSA-N 1 2 249.270 0.444 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1c[nH+]cn1C ZINC000186985037 385822727 /nfs/dbraw/zinc/82/27/27/385822727.db2.gz BRLUQEGFSAMUTB-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1CCn1cc[nH+]c1 ZINC000186996018 385824400 /nfs/dbraw/zinc/82/44/00/385824400.db2.gz NYAUSDIKKKECMN-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO CCOc1cc(C(=O)N2CC[NH+](C)CC2)on1 ZINC000294222469 385824544 /nfs/dbraw/zinc/82/45/44/385824544.db2.gz KTGYJGBNRZFDDZ-UHFFFAOYSA-N 1 2 239.275 0.461 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCn2ccnc2)n1 ZINC000336737854 385824851 /nfs/dbraw/zinc/82/48/51/385824851.db2.gz JWHHFHMYTUBFRC-MRVPVSSYSA-N 1 2 221.264 0.925 20 0 BCADLO CCc1nocc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414568699 385825613 /nfs/dbraw/zinc/82/56/13/385825613.db2.gz HUVNLAHKJUWNJP-SKDRFNHKSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414568699 385825616 /nfs/dbraw/zinc/82/56/16/385825616.db2.gz HUVNLAHKJUWNJP-SKDRFNHKSA-N 1 2 240.303 0.819 20 0 BCADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)c1ccc[nH]1 ZINC000294278833 385830852 /nfs/dbraw/zinc/83/08/52/385830852.db2.gz SOOJUMKLAQPKIC-UHFFFAOYSA-N 1 2 247.298 0.504 20 0 BCADLO Cc1ccn2cc(CNC(=O)CO)[nH+]c2c1 ZINC000283814257 385835457 /nfs/dbraw/zinc/83/54/57/385835457.db2.gz XSMCVPQTLFXULQ-UHFFFAOYSA-N 1 2 219.244 0.251 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cnn[nH]2)C1 ZINC000283843090 385836187 /nfs/dbraw/zinc/83/61/87/385836187.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000283843090 385836193 /nfs/dbraw/zinc/83/61/93/385836193.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH]nn2)C1 ZINC000283843090 385836198 /nfs/dbraw/zinc/83/61/98/385836198.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000283843090 385836200 /nfs/dbraw/zinc/83/62/00/385836200.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn[nH]n2)C1 ZINC000283843090 385836204 /nfs/dbraw/zinc/83/62/04/385836204.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000283843090 385836207 /nfs/dbraw/zinc/83/62/07/385836207.db2.gz HIAJFQFUZIYCJM-JTQLQIEISA-N 1 2 224.264 0.190 20 0 BCADLO Cc1cn[nH]c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000283874048 385839740 /nfs/dbraw/zinc/83/97/40/385839740.db2.gz FFUXSYISMDQSMZ-UHFFFAOYSA-N 1 2 236.319 0.806 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC000283944445 385840448 /nfs/dbraw/zinc/84/04/48/385840448.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC000283944445 385840451 /nfs/dbraw/zinc/84/04/51/385840451.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC000283944445 385840452 /nfs/dbraw/zinc/84/04/52/385840452.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC000283944445 385840456 /nfs/dbraw/zinc/84/04/56/385840456.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1cn[nH]n1 ZINC000283944445 385840459 /nfs/dbraw/zinc/84/04/59/385840459.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1cn[nH]n1 ZINC000283944445 385840461 /nfs/dbraw/zinc/84/04/61/385840461.db2.gz KYKNNJIDHRCQLJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc[nH]n1 ZINC000271633560 385840549 /nfs/dbraw/zinc/84/05/49/385840549.db2.gz PRTUWODLRNBZQK-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc[nH]n1 ZINC000271633560 385840554 /nfs/dbraw/zinc/84/05/54/385840554.db2.gz PRTUWODLRNBZQK-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc[nH]n1 ZINC000271633560 385840556 /nfs/dbraw/zinc/84/05/56/385840556.db2.gz PRTUWODLRNBZQK-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[N@H+](CC(=O)Nc1ccncc1)[C@@H]1CCOC1 ZINC000112559351 385845082 /nfs/dbraw/zinc/84/50/82/385845082.db2.gz NYMQQIHDDKOYDM-LLVKDONJSA-N 1 2 235.287 0.741 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccncc1)[C@@H]1CCOC1 ZINC000112559351 385845084 /nfs/dbraw/zinc/84/50/84/385845084.db2.gz NYMQQIHDDKOYDM-LLVKDONJSA-N 1 2 235.287 0.741 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cn1 ZINC000414577511 385846704 /nfs/dbraw/zinc/84/67/04/385846704.db2.gz HHHZDIOGJPMBBF-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cn1 ZINC000414577511 385846708 /nfs/dbraw/zinc/84/67/08/385846708.db2.gz HHHZDIOGJPMBBF-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@H](O)CNc1cc(NCCCO)[nH+]cn1 ZINC000294407647 385846831 /nfs/dbraw/zinc/84/68/31/385846831.db2.gz NPPVALWFQIFHJF-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO C[C@H](O)CNc1cc(NCCCO)nc[nH+]1 ZINC000294407647 385846837 /nfs/dbraw/zinc/84/68/37/385846837.db2.gz NPPVALWFQIFHJF-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCOC1 ZINC000284191235 385855853 /nfs/dbraw/zinc/85/58/53/385855853.db2.gz YYPNZBGHGZGFIH-HMDXOVGESA-N 1 2 221.260 0.718 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C[C@H]1O ZINC000395848762 385788389 /nfs/dbraw/zinc/78/83/89/385788389.db2.gz LRHMVSKZKGPYME-OPRDCNLKSA-N 1 2 245.319 0.408 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C[C@H]1O ZINC000395848762 385788391 /nfs/dbraw/zinc/78/83/91/385788391.db2.gz LRHMVSKZKGPYME-OPRDCNLKSA-N 1 2 245.319 0.408 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCn1cncn1 ZINC000271115171 385788346 /nfs/dbraw/zinc/78/83/46/385788346.db2.gz HLBYFNLJUHJMOV-UHFFFAOYSA-N 1 2 246.274 0.803 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCCO ZINC000282822638 385789308 /nfs/dbraw/zinc/78/93/08/385789308.db2.gz QATFUKGWKNNZGK-SNAWJCMRSA-N 1 2 223.276 0.702 20 0 BCADLO Cn1ccc(C[N@H+](C)CCN2CCOCC2)n1 ZINC000271138134 385791862 /nfs/dbraw/zinc/79/18/62/385791862.db2.gz BELDTVGXBGQAED-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO Cn1ccc(C[N@@H+](C)CCN2CCOCC2)n1 ZINC000271138134 385791868 /nfs/dbraw/zinc/79/18/68/385791868.db2.gz BELDTVGXBGQAED-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1ccn(C)n1 ZINC000271138134 385791875 /nfs/dbraw/zinc/79/18/75/385791875.db2.gz BELDTVGXBGQAED-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nnc[nH]1 ZINC000284838103 385886563 /nfs/dbraw/zinc/88/65/63/385886563.db2.gz BWBXBTXLCWNUQJ-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000284838103 385886569 /nfs/dbraw/zinc/88/65/69/385886569.db2.gz BWBXBTXLCWNUQJ-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+](C)CCC(N)=O ZINC000272220593 385886575 /nfs/dbraw/zinc/88/65/75/385886575.db2.gz CAOKHKFASPTKJE-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(N)=O ZINC000272220593 385886580 /nfs/dbraw/zinc/88/65/80/385886580.db2.gz CAOKHKFASPTKJE-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO CO[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000294764967 385893211 /nfs/dbraw/zinc/89/32/11/385893211.db2.gz ZEEZORIJVYTEBA-ZWNMCFTASA-N 1 2 235.287 0.964 20 0 BCADLO CC(C)CCNc1[nH+]cnc2c1OCCN2 ZINC000647845181 385897470 /nfs/dbraw/zinc/89/74/70/385897470.db2.gz UKTDDHKEVSEWIT-UHFFFAOYSA-N 1 2 222.292 0.851 20 0 BCADLO CC(C)CCNc1nc[nH+]c2c1OCCN2 ZINC000647845181 385897475 /nfs/dbraw/zinc/89/74/75/385897475.db2.gz UKTDDHKEVSEWIT-UHFFFAOYSA-N 1 2 222.292 0.851 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000647852126 385902575 /nfs/dbraw/zinc/90/25/75/385902575.db2.gz YBYRRQODMOHGFI-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000647852126 385902578 /nfs/dbraw/zinc/90/25/78/385902578.db2.gz YBYRRQODMOHGFI-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO CO[C@H](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000308900513 385904497 /nfs/dbraw/zinc/90/44/97/385904497.db2.gz FAXINYCCRJICQZ-ZCFIWIBFSA-N 1 2 211.269 0.599 20 0 BCADLO CO[C@H](C)CCNc1nc(N)nc(C)[nH+]1 ZINC000308900513 385904500 /nfs/dbraw/zinc/90/45/00/385904500.db2.gz FAXINYCCRJICQZ-ZCFIWIBFSA-N 1 2 211.269 0.599 20 0 BCADLO COC[C@H]([NH2+]C[C@H]1CCSC1)C(=O)OC ZINC000336745964 385910947 /nfs/dbraw/zinc/91/09/47/385910947.db2.gz AUVSENVWQJRQHZ-BDAKNGLRSA-N 1 2 233.333 0.517 20 0 BCADLO Cc1ccn2cc(CN=c3nc[nH]n3C)[nH+]c2c1 ZINC000647858410 385914843 /nfs/dbraw/zinc/91/48/43/385914843.db2.gz QUNWLZPBEMHURK-UHFFFAOYSA-N 1 2 242.286 0.805 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CCCOC1 ZINC000272581780 385916133 /nfs/dbraw/zinc/91/61/33/385916133.db2.gz AYVONNQQQNJDQO-LBPRGKRZSA-N 1 2 237.303 0.816 20 0 BCADLO Cn1cc[nH+]c1CS(=O)(=O)C(F)(F)F ZINC000272599781 385917304 /nfs/dbraw/zinc/91/73/04/385917304.db2.gz XGEIDMUFURTYIK-UHFFFAOYSA-N 1 2 228.195 0.855 20 0 BCADLO Cc1cnccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000294932013 385918239 /nfs/dbraw/zinc/91/82/39/385918239.db2.gz UMOUBQVNDVLYDG-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000294932013 385918243 /nfs/dbraw/zinc/91/82/43/385918243.db2.gz UMOUBQVNDVLYDG-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123891695 385921669 /nfs/dbraw/zinc/92/16/69/385921669.db2.gz MILAUBYZWTYSRW-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123891695 385921673 /nfs/dbraw/zinc/92/16/73/385921673.db2.gz MILAUBYZWTYSRW-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CCS1 ZINC000335033902 385923418 /nfs/dbraw/zinc/92/34/18/385923418.db2.gz HVHQNEIQWVRCNW-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CCS1 ZINC000335033902 385923424 /nfs/dbraw/zinc/92/34/24/385923424.db2.gz HVHQNEIQWVRCNW-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342094139 385923946 /nfs/dbraw/zinc/92/39/46/385923946.db2.gz BQHQMJMFNYUFDB-SSDOTTSWSA-N 1 2 210.281 0.495 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342094139 385923955 /nfs/dbraw/zinc/92/39/55/385923955.db2.gz BQHQMJMFNYUFDB-SSDOTTSWSA-N 1 2 210.281 0.495 20 0 BCADLO CC(C)(C(=O)N1CCCCO1)[NH+]1CCOCC1 ZINC000338208721 385925792 /nfs/dbraw/zinc/92/57/92/385925792.db2.gz UODLEZCESWWVMF-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO CO[C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000294503927 385860095 /nfs/dbraw/zinc/86/00/95/385860095.db2.gz JYGZZCMAGAOPRO-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644839216 385860543 /nfs/dbraw/zinc/86/05/43/385860543.db2.gz WYCWXFVGSSQWDI-NEPJUHHUSA-N 1 2 221.304 0.956 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644839216 385860550 /nfs/dbraw/zinc/86/05/50/385860550.db2.gz WYCWXFVGSSQWDI-NEPJUHHUSA-N 1 2 221.304 0.956 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)[C@H](C)O)c[nH+]1 ZINC000272739835 385927597 /nfs/dbraw/zinc/92/75/97/385927597.db2.gz CBNPWYCZYMXEBQ-LURJTMIESA-N 1 2 211.265 0.607 20 0 BCADLO Cc1cnccc1C[NH+]1CCN(CCO)CC1 ZINC000294530281 385863165 /nfs/dbraw/zinc/86/31/65/385863165.db2.gz HEBCKYCTYWZDSY-UHFFFAOYSA-N 1 2 235.331 0.500 20 0 BCADLO CN(C)c1ccc(CN2C(=O)CN(C)C2=O)c[nH+]1 ZINC000272024226 385869968 /nfs/dbraw/zinc/86/99/68/385869968.db2.gz BPFNYWLKUGYTIE-UHFFFAOYSA-N 1 2 248.286 0.542 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H](C)CCO)nc[nH+]1 ZINC000294583208 385870994 /nfs/dbraw/zinc/87/09/94/385870994.db2.gz YUIYTMJPETZPRA-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H](C)CCO)[nH+]cn1 ZINC000294583208 385870999 /nfs/dbraw/zinc/87/09/99/385870999.db2.gz YUIYTMJPETZPRA-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C1CC1 ZINC000284489532 385873228 /nfs/dbraw/zinc/87/32/28/385873228.db2.gz UJBKOHJYBLOOLA-FSIBCCDJSA-N 1 2 221.260 0.310 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCn1ccnc1 ZINC000338002098 385873633 /nfs/dbraw/zinc/87/36/33/385873633.db2.gz HNDIJSPULZBSNE-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO O=C(CCn1ccnc1)NCCn1cc[nH+]c1 ZINC000338002098 385873637 /nfs/dbraw/zinc/87/36/37/385873637.db2.gz HNDIJSPULZBSNE-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO FC1(C[N@@H+]2CCO[C@@H]3CCOC[C@H]32)CC1 ZINC000644841046 385874315 /nfs/dbraw/zinc/87/43/15/385874315.db2.gz MXFNHVOSJZOYFC-NXEZZACHSA-N 1 2 215.268 0.978 20 0 BCADLO FC1(C[N@H+]2CCO[C@@H]3CCOC[C@H]32)CC1 ZINC000644841046 385874318 /nfs/dbraw/zinc/87/43/18/385874318.db2.gz MXFNHVOSJZOYFC-NXEZZACHSA-N 1 2 215.268 0.978 20 0 BCADLO C[C@@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000272126338 385877437 /nfs/dbraw/zinc/87/74/37/385877437.db2.gz KBSMWRSXYIDSGZ-QMMMGPOBSA-N 1 2 244.254 0.775 20 0 BCADLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)nnn1C(C)C ZINC000340193263 385879734 /nfs/dbraw/zinc/87/97/34/385879734.db2.gz XEPVLBOYVVIKPL-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO C[C@H](C(=O)N(C)CC1CC1)[NH+]1CCN(C)CC1 ZINC000338045104 385880643 /nfs/dbraw/zinc/88/06/43/385880643.db2.gz XAVNELICJYGIOM-LLVKDONJSA-N 1 2 239.363 0.491 20 0 BCADLO C[C@@H](O)C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000189266420 385977874 /nfs/dbraw/zinc/97/78/74/385977874.db2.gz CHAAQMKEBGIQLL-DTWKUNHWSA-N 1 2 239.323 0.364 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000340218216 385984053 /nfs/dbraw/zinc/98/40/53/385984053.db2.gz GBBJGANADCUAAV-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000340218216 385984060 /nfs/dbraw/zinc/98/40/60/385984060.db2.gz GBBJGANADCUAAV-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](CCO)C1CC1 ZINC000285995902 385986154 /nfs/dbraw/zinc/98/61/54/385986154.db2.gz NGYZIHGYBMFLMT-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](CCO)C1CC1 ZINC000285995902 385986159 /nfs/dbraw/zinc/98/61/59/385986159.db2.gz NGYZIHGYBMFLMT-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000286016307 385986560 /nfs/dbraw/zinc/98/65/60/385986560.db2.gz NWMQOLAHQVPPKW-AOOOYVTPSA-N 1 2 237.303 0.978 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000342121993 385931552 /nfs/dbraw/zinc/93/15/52/385931552.db2.gz GMTKVHPPNHMJGN-LLVKDONJSA-N 1 2 246.318 0.860 20 0 BCADLO Cc1cnn(CC[N@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000342121993 385931557 /nfs/dbraw/zinc/93/15/57/385931557.db2.gz GMTKVHPPNHMJGN-LLVKDONJSA-N 1 2 246.318 0.860 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)C2)s1 ZINC000338269695 385934683 /nfs/dbraw/zinc/93/46/83/385934683.db2.gz COCQEWITTUMVTN-POYBYMJQSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](O)C2)s1 ZINC000338269695 385934689 /nfs/dbraw/zinc/93/46/89/385934689.db2.gz COCQEWITTUMVTN-POYBYMJQSA-N 1 2 213.306 0.974 20 0 BCADLO CC[C@](C)([NH2+]Cc1nc(C(F)F)no1)C(N)=O ZINC000425417508 385993010 /nfs/dbraw/zinc/99/30/10/385993010.db2.gz MPEHHGUTFMWKKU-VIFPVBQESA-N 1 2 248.233 0.751 20 0 BCADLO Cn1ncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000647862266 385938545 /nfs/dbraw/zinc/93/85/45/385938545.db2.gz FIBDMCHAQGUCGH-UHFFFAOYSA-N 1 2 232.291 0.853 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C1(CO)CC1 ZINC000285541785 385940940 /nfs/dbraw/zinc/94/09/40/385940940.db2.gz PXBLNDAJPURTAI-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C1(CO)CC1 ZINC000285541785 385940945 /nfs/dbraw/zinc/94/09/45/385940945.db2.gz PXBLNDAJPURTAI-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425396727 385945478 /nfs/dbraw/zinc/94/54/78/385945478.db2.gz QDIPUHUXMBHANX-ZCFIWIBFSA-N 1 2 233.218 0.964 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425396727 385945484 /nfs/dbraw/zinc/94/54/84/385945484.db2.gz QDIPUHUXMBHANX-ZCFIWIBFSA-N 1 2 233.218 0.964 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000335050905 385946658 /nfs/dbraw/zinc/94/66/58/385946658.db2.gz AAPYBXYXMBDRNZ-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000335050905 385946664 /nfs/dbraw/zinc/94/66/64/385946664.db2.gz AAPYBXYXMBDRNZ-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)[C@@H]1COC[C@H]1O ZINC000285684153 385955016 /nfs/dbraw/zinc/95/50/16/385955016.db2.gz UZLMCUNXWODJHK-GHMZBOCLSA-N 1 2 239.319 0.656 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297282 385954956 /nfs/dbraw/zinc/95/49/56/385954956.db2.gz VXGIWJRTEAOOCO-GXSJLCMTSA-N 1 2 227.304 0.701 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297282 385954963 /nfs/dbraw/zinc/95/49/63/385954963.db2.gz VXGIWJRTEAOOCO-GXSJLCMTSA-N 1 2 227.304 0.701 20 0 BCADLO C[N@H+](CC(N)=O)Cc1nc2ccc(F)cc2o1 ZINC000342210067 385958642 /nfs/dbraw/zinc/95/86/42/385958642.db2.gz VAQMQUAMDFCOFN-UHFFFAOYSA-N 1 2 237.234 0.884 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1nc2ccc(F)cc2o1 ZINC000342210067 385958649 /nfs/dbraw/zinc/95/86/49/385958649.db2.gz VAQMQUAMDFCOFN-UHFFFAOYSA-N 1 2 237.234 0.884 20 0 BCADLO CN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000335058886 385960663 /nfs/dbraw/zinc/96/06/63/385960663.db2.gz JORFAZKIMGEGRM-SSDOTTSWSA-N 1 2 221.251 0.502 20 0 BCADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)N1CCCC1 ZINC000335060022 385961935 /nfs/dbraw/zinc/96/19/35/385961935.db2.gz WPUCJZKPGWYWTQ-LLVKDONJSA-N 1 2 230.283 0.015 20 0 BCADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)N1CCCC1 ZINC000335060022 385961939 /nfs/dbraw/zinc/96/19/39/385961939.db2.gz WPUCJZKPGWYWTQ-LLVKDONJSA-N 1 2 230.283 0.015 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1nncn1C1CC1 ZINC000285785511 385965359 /nfs/dbraw/zinc/96/53/59/385965359.db2.gz LYMLMNYKAMNXKV-UHFFFAOYSA-N 1 2 246.274 0.838 20 0 BCADLO C[C@@H](CF)NC(=O)NCCCn1cc[nH+]c1 ZINC000644849895 385968891 /nfs/dbraw/zinc/96/88/91/385968891.db2.gz OKDWDRYDCQBLPC-VIFPVBQESA-N 1 2 228.271 0.930 20 0 BCADLO C[C@@](O)(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000285867864 385971868 /nfs/dbraw/zinc/97/18/68/385971868.db2.gz CLIXUYYJWIRQMH-NSHDSACASA-N 1 2 223.276 0.160 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)[nH]1 ZINC000335016538 385973677 /nfs/dbraw/zinc/97/36/77/385973677.db2.gz BIUPQGWAEVTHAC-RKDXNWHRSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH]1 ZINC000335016538 385973679 /nfs/dbraw/zinc/97/36/79/385973679.db2.gz BIUPQGWAEVTHAC-RKDXNWHRSA-N 1 2 236.319 0.883 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000189291007 385973692 /nfs/dbraw/zinc/97/36/92/385973692.db2.gz KQHFLGNRRWOTQP-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000189291007 385973698 /nfs/dbraw/zinc/97/36/98/385973698.db2.gz KQHFLGNRRWOTQP-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124214867 386002880 /nfs/dbraw/zinc/00/28/80/386002880.db2.gz PPADPGOTKKMJMR-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124214867 386002885 /nfs/dbraw/zinc/00/28/85/386002885.db2.gz PPADPGOTKKMJMR-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)CC(N)=O)c[nH+]1 ZINC000273470736 386003735 /nfs/dbraw/zinc/00/37/35/386003735.db2.gz JOZKECPNUKWNDT-UHFFFAOYSA-N 1 2 224.264 0.102 20 0 BCADLO CC(=O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000309345219 386004352 /nfs/dbraw/zinc/00/43/52/386004352.db2.gz YOFALWNHXKCBPM-UHFFFAOYSA-N 1 2 219.248 0.768 20 0 BCADLO Cc1nc(C[NH2+][C@](C)(CO)C(C)C)no1 ZINC000336751518 386011492 /nfs/dbraw/zinc/01/14/92/386011492.db2.gz GKSYDEGNEXPJOW-SNVBAGLBSA-N 1 2 213.281 0.875 20 0 BCADLO Cc1nc(N(C)[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000338485779 386018553 /nfs/dbraw/zinc/01/85/53/386018553.db2.gz WHVUQXVBDAYTSH-SSDOTTSWSA-N 1 2 225.296 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)CO)[nH+]1 ZINC000338485779 386018556 /nfs/dbraw/zinc/01/85/56/386018556.db2.gz WHVUQXVBDAYTSH-SSDOTTSWSA-N 1 2 225.296 0.063 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000286292136 386020596 /nfs/dbraw/zinc/02/05/96/386020596.db2.gz GXDVSPFCLVNCMM-SNVBAGLBSA-N 1 2 239.319 0.846 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226322 386021105 /nfs/dbraw/zinc/02/11/05/386021105.db2.gz PKMIYLSGEJDDRZ-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226322 386021111 /nfs/dbraw/zinc/02/11/11/386021111.db2.gz PKMIYLSGEJDDRZ-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(O)CC1 ZINC000189552882 386026568 /nfs/dbraw/zinc/02/65/68/386026568.db2.gz OIXLVOPNJKUEOZ-MRVPVSSYSA-N 1 2 225.296 0.118 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000340226668 386029620 /nfs/dbraw/zinc/02/96/20/386029620.db2.gz SDPNXYKHDOTASD-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000340226668 386029627 /nfs/dbraw/zinc/02/96/27/386029627.db2.gz SDPNXYKHDOTASD-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000286369601 386030384 /nfs/dbraw/zinc/03/03/84/386030384.db2.gz LJXPNLWEHATDSM-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO Cn1nc(C[N@@H+]2CCSC(C)(C)C2)[nH]c1=O ZINC000334431945 386033457 /nfs/dbraw/zinc/03/34/57/386033457.db2.gz WMUZIGRBAOWNON-UHFFFAOYSA-N 1 2 242.348 0.436 20 0 BCADLO Cn1nc(C[N@H+]2CCSC(C)(C)C2)[nH]c1=O ZINC000334431945 386033460 /nfs/dbraw/zinc/03/34/60/386033460.db2.gz WMUZIGRBAOWNON-UHFFFAOYSA-N 1 2 242.348 0.436 20 0 BCADLO CO[C@@H](C[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000338546149 386039063 /nfs/dbraw/zinc/03/90/63/386039063.db2.gz KIKOFCYJOQPVTM-LBPRGKRZSA-N 1 2 234.299 0.806 20 0 BCADLO CO[C@@H](C[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000338546149 386039066 /nfs/dbraw/zinc/03/90/66/386039066.db2.gz KIKOFCYJOQPVTM-LBPRGKRZSA-N 1 2 234.299 0.806 20 0 BCADLO CO[C@H]1C[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC000286498616 386045958 /nfs/dbraw/zinc/04/59/58/386045958.db2.gz YAWNTMDZRMRNAI-DTORHVGOSA-N 1 2 247.302 0.977 20 0 BCADLO CN(CCC(N)=O)c1cc[nH+]c2ccncc21 ZINC000286565233 386051786 /nfs/dbraw/zinc/05/17/86/386051786.db2.gz PUVYQFAAMPQASM-UHFFFAOYSA-N 1 2 230.271 0.941 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@H]1CCOC1 ZINC000286564577 386053255 /nfs/dbraw/zinc/05/32/55/386053255.db2.gz VOMMEFDUJRQJEB-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@H]1CCOC1 ZINC000286564577 386053260 /nfs/dbraw/zinc/05/32/60/386053260.db2.gz VOMMEFDUJRQJEB-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nc(C(F)F)no1)C(N)=O ZINC000425417507 385995571 /nfs/dbraw/zinc/99/55/71/385995571.db2.gz MPEHHGUTFMWKKU-SECBINFHSA-N 1 2 248.233 0.751 20 0 BCADLO CO[C@@](C)(C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000309216484 385995916 /nfs/dbraw/zinc/99/59/16/385995916.db2.gz FQYSIYADPHJGAT-JTQLQIEISA-N 1 2 225.296 0.115 20 0 BCADLO Cc1nc(N(C)CCOCC2CC2)nc(N)[nH+]1 ZINC000310110509 386102290 /nfs/dbraw/zinc/10/22/90/386102290.db2.gz POSMPDIVFDGAPQ-UHFFFAOYSA-N 1 2 237.307 0.625 20 0 BCADLO Cc1nc(N)nc(N(C)CCOCC2CC2)[nH+]1 ZINC000310110509 386102293 /nfs/dbraw/zinc/10/22/93/386102293.db2.gz POSMPDIVFDGAPQ-UHFFFAOYSA-N 1 2 237.307 0.625 20 0 BCADLO CCn1cc[nH+]c1CN1CCNC(=O)[C@@H]1C ZINC000334456075 386107927 /nfs/dbraw/zinc/10/79/27/386107927.db2.gz XRSBRWXYPGGZHD-VIFPVBQESA-N 1 2 222.292 0.223 20 0 BCADLO NC(=O)NC(=O)CCC[N@@H+]1CCC(F)(F)C1 ZINC000345805779 386112794 /nfs/dbraw/zinc/11/27/94/386112794.db2.gz MMCWFKKWHJJBFB-UHFFFAOYSA-N 1 2 235.234 0.303 20 0 BCADLO NC(=O)NC(=O)CCC[N@H+]1CCC(F)(F)C1 ZINC000345805779 386112798 /nfs/dbraw/zinc/11/27/98/386112798.db2.gz MMCWFKKWHJJBFB-UHFFFAOYSA-N 1 2 235.234 0.303 20 0 BCADLO C[N@H+](Cc1cc(F)ncc1F)[C@@H]1COC[C@H]1O ZINC000296011497 386121257 /nfs/dbraw/zinc/12/12/57/386121257.db2.gz LPXOIRAOQNHVGY-NXEZZACHSA-N 1 2 244.241 0.551 20 0 BCADLO C[N@@H+](Cc1cc(F)ncc1F)[C@@H]1COC[C@H]1O ZINC000296011497 386121264 /nfs/dbraw/zinc/12/12/64/386121264.db2.gz LPXOIRAOQNHVGY-NXEZZACHSA-N 1 2 244.241 0.551 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)[C@H]1C ZINC000334442222 386059518 /nfs/dbraw/zinc/05/95/18/386059518.db2.gz CTQAILCOYRGWCZ-ZJUUUORDSA-N 1 2 219.288 0.782 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccncc2)[C@H]1C ZINC000334442222 386059523 /nfs/dbraw/zinc/05/95/23/386059523.db2.gz CTQAILCOYRGWCZ-ZJUUUORDSA-N 1 2 219.288 0.782 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587601 386063803 /nfs/dbraw/zinc/06/38/03/386063803.db2.gz KBLOOMNNDLWBEE-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587601 386063809 /nfs/dbraw/zinc/06/38/09/386063809.db2.gz KBLOOMNNDLWBEE-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO COC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000224040637 386121990 /nfs/dbraw/zinc/12/19/90/386121990.db2.gz BYUBVWWDESTTAD-VIFPVBQESA-N 1 2 225.292 0.813 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338592980 386065154 /nfs/dbraw/zinc/06/51/54/386065154.db2.gz IEXHNIHPOHCVSK-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338592980 386065157 /nfs/dbraw/zinc/06/51/57/386065157.db2.gz IEXHNIHPOHCVSK-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590084 386065716 /nfs/dbraw/zinc/06/57/16/386065716.db2.gz RMUHYRYCEQEPAS-JQWIXIFHSA-N 1 2 246.326 0.650 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590084 386065725 /nfs/dbraw/zinc/06/57/25/386065725.db2.gz RMUHYRYCEQEPAS-JQWIXIFHSA-N 1 2 246.326 0.650 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590085 386066470 /nfs/dbraw/zinc/06/64/70/386066470.db2.gz RMUHYRYCEQEPAS-PWSUYJOCSA-N 1 2 246.326 0.650 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590085 386066475 /nfs/dbraw/zinc/06/64/75/386066475.db2.gz RMUHYRYCEQEPAS-PWSUYJOCSA-N 1 2 246.326 0.650 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000425431051 386070746 /nfs/dbraw/zinc/07/07/46/386070746.db2.gz GZLNWGPXYNZAGT-MWLCHTKSSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000425431051 386070752 /nfs/dbraw/zinc/07/07/52/386070752.db2.gz GZLNWGPXYNZAGT-MWLCHTKSSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425444737 386076374 /nfs/dbraw/zinc/07/63/74/386076374.db2.gz NZSDRFZTCQRRKU-BDAKNGLRSA-N 1 2 241.291 0.726 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425444737 386076377 /nfs/dbraw/zinc/07/63/77/386076377.db2.gz NZSDRFZTCQRRKU-BDAKNGLRSA-N 1 2 241.291 0.726 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338630402 386078502 /nfs/dbraw/zinc/07/85/02/386078502.db2.gz JCLZQPNLGXLKTA-WPRPVWTQSA-N 1 2 219.256 0.344 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338630402 386078508 /nfs/dbraw/zinc/07/85/08/386078508.db2.gz JCLZQPNLGXLKTA-WPRPVWTQSA-N 1 2 219.256 0.344 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338625181 386083112 /nfs/dbraw/zinc/08/31/12/386083112.db2.gz HYBOIUNKFFWZLX-LBPRGKRZSA-N 1 2 246.326 0.699 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338625181 386083116 /nfs/dbraw/zinc/08/31/16/386083116.db2.gz HYBOIUNKFFWZLX-LBPRGKRZSA-N 1 2 246.326 0.699 20 0 BCADLO Cc1nc(CN(C)Cc2[nH+]ccn2C)no1 ZINC000162324156 386083651 /nfs/dbraw/zinc/08/36/51/386083651.db2.gz SWRGKMTZYWGGLH-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)C[C@@H]1F ZINC000335121819 386087498 /nfs/dbraw/zinc/08/74/98/386087498.db2.gz MHZAOWQVTSXMNN-ONGXEEELSA-N 1 2 223.251 0.973 20 0 BCADLO Cn1nccc1NC(=O)CCn1cc[nH+]c1 ZINC000338669129 386091715 /nfs/dbraw/zinc/09/17/15/386091715.db2.gz MCWUVPKTNAGKMZ-UHFFFAOYSA-N 1 2 219.248 0.645 20 0 BCADLO CCOCC[N@H+](C)Cc1nccc(N)n1 ZINC000093317538 386092120 /nfs/dbraw/zinc/09/21/20/386092120.db2.gz SSGSKMXPVQQVRQ-UHFFFAOYSA-N 1 2 210.281 0.527 20 0 BCADLO CCOCC[N@@H+](C)Cc1nccc(N)n1 ZINC000093317538 386092124 /nfs/dbraw/zinc/09/21/24/386092124.db2.gz SSGSKMXPVQQVRQ-UHFFFAOYSA-N 1 2 210.281 0.527 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000334457908 386097805 /nfs/dbraw/zinc/09/78/05/386097805.db2.gz QDPBZZSCOONOGG-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@H+]1C)C1CC1 ZINC000334457908 386097809 /nfs/dbraw/zinc/09/78/09/386097809.db2.gz QDPBZZSCOONOGG-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1CC ZINC000295870218 386097821 /nfs/dbraw/zinc/09/78/21/386097821.db2.gz XROHYBJNZAWGGR-UWVGGRQHSA-N 1 2 237.303 0.944 20 0 BCADLO O=C1NCCCC[C@@H]1[NH2+]Cc1cocn1 ZINC000336729867 386144624 /nfs/dbraw/zinc/14/46/24/386144624.db2.gz JIQGUHDCGQMCGB-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCC1 ZINC000334472113 386149130 /nfs/dbraw/zinc/14/91/30/386149130.db2.gz HTYDXYXBGLQGDJ-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCC1 ZINC000334472113 386149136 /nfs/dbraw/zinc/14/91/36/386149136.db2.gz HTYDXYXBGLQGDJ-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)C1CCC1 ZINC000617306295 386149760 /nfs/dbraw/zinc/14/97/60/386149760.db2.gz ACOUQELCVBFHON-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCC1 ZINC000334472114 386152274 /nfs/dbraw/zinc/15/22/74/386152274.db2.gz HTYDXYXBGLQGDJ-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCC1 ZINC000334472114 386152279 /nfs/dbraw/zinc/15/22/79/386152279.db2.gz HTYDXYXBGLQGDJ-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncs2)CCN1CCO ZINC000190249295 386156943 /nfs/dbraw/zinc/15/69/43/386156943.db2.gz DCGAWVNZLBWCDN-SNVBAGLBSA-N 1 2 241.360 0.642 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncs2)CCN1CCO ZINC000190249295 386156949 /nfs/dbraw/zinc/15/69/49/386156949.db2.gz DCGAWVNZLBWCDN-SNVBAGLBSA-N 1 2 241.360 0.642 20 0 BCADLO O=C1C[N@H+](Cc2cccc3c2NCC3)CCN1 ZINC000130466369 386165636 /nfs/dbraw/zinc/16/56/36/386165636.db2.gz GDFUXDXGAULCNC-UHFFFAOYSA-N 1 2 231.299 0.586 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3c2NCC3)CCN1 ZINC000130466369 386165642 /nfs/dbraw/zinc/16/56/42/386165642.db2.gz GDFUXDXGAULCNC-UHFFFAOYSA-N 1 2 231.299 0.586 20 0 BCADLO CC(C)[C@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000425487171 386167150 /nfs/dbraw/zinc/16/71/50/386167150.db2.gz VOJAXEYQVVWFRC-SECBINFHSA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000425487171 386167152 /nfs/dbraw/zinc/16/71/52/386167152.db2.gz VOJAXEYQVVWFRC-SECBINFHSA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@@H](NC(=O)c1cnn(C)n1)c1[nH]cc[nH+]1 ZINC000288110147 386168835 /nfs/dbraw/zinc/16/88/35/386168835.db2.gz MVCQPRVBXBMQOE-SECBINFHSA-N 1 2 248.290 0.665 20 0 BCADLO CC[S@@](=O)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000346145641 386169366 /nfs/dbraw/zinc/16/93/66/386169366.db2.gz IDBJDNUXHFUWLU-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccnn1C ZINC000216432681 386169915 /nfs/dbraw/zinc/16/99/15/386169915.db2.gz PWXNPTGNCYEIIC-ARJAWSKDSA-N 1 2 245.286 0.815 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(CCO)nn1 ZINC000310320181 386173031 /nfs/dbraw/zinc/17/30/31/386173031.db2.gz WMPLZPFISDVENK-UHFFFAOYSA-N 1 2 234.259 0.265 20 0 BCADLO Cc1[nH]c(C(=O)NCCC(C)(C)O)c[nH+]1 ZINC000275020905 386173083 /nfs/dbraw/zinc/17/30/83/386173083.db2.gz ZZXSWGPNIJBKIH-UHFFFAOYSA-N 1 2 211.265 0.609 20 0 BCADLO COC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(=O)OC ZINC000336753986 386175562 /nfs/dbraw/zinc/17/55/62/386175562.db2.gz HESDSMRLPCHLCB-QEYWKRMJSA-N 1 2 215.293 0.809 20 0 BCADLO O=C1CC[N@H+](Cc2cncc(F)c2)CCN1 ZINC000275147193 386185876 /nfs/dbraw/zinc/18/58/76/386185876.db2.gz QSYUSNZAJQVONJ-UHFFFAOYSA-N 1 2 223.251 0.543 20 0 BCADLO O=C1CC[N@@H+](Cc2cncc(F)c2)CCN1 ZINC000275147193 386185878 /nfs/dbraw/zinc/18/58/78/386185878.db2.gz QSYUSNZAJQVONJ-UHFFFAOYSA-N 1 2 223.251 0.543 20 0 BCADLO COC(=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000054462316 386126642 /nfs/dbraw/zinc/12/66/42/386126642.db2.gz SHPPWWCVGXUSJG-UHFFFAOYSA-N 1 2 235.287 0.862 20 0 BCADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(CO)CC1 ZINC000189976592 386127746 /nfs/dbraw/zinc/12/77/46/386127746.db2.gz WFJDEPHWZICQEL-VIFPVBQESA-N 1 2 239.323 0.366 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N(C)C)CCN1C ZINC000335131665 386132103 /nfs/dbraw/zinc/13/21/03/386132103.db2.gz KJXBBFWCNZLSCA-NXEZZACHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N(C)C)CCN1C ZINC000335131665 386132104 /nfs/dbraw/zinc/13/21/04/386132104.db2.gz KJXBBFWCNZLSCA-NXEZZACHSA-N 1 2 213.325 0.099 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000345865253 386134043 /nfs/dbraw/zinc/13/40/43/386134043.db2.gz ZLHQSPOQOHZUBK-QWRGUYRKSA-N 1 2 236.319 0.722 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000334464652 386134540 /nfs/dbraw/zinc/13/45/40/386134540.db2.gz BTOVWXCCXHKWIH-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000334464652 386134548 /nfs/dbraw/zinc/13/45/48/386134548.db2.gz BTOVWXCCXHKWIH-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 ZINC000296098804 386136638 /nfs/dbraw/zinc/13/66/38/386136638.db2.gz GKWROOXURHJVPT-UHFFFAOYSA-N 1 2 249.314 0.750 20 0 BCADLO COC[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264018093 386201921 /nfs/dbraw/zinc/20/19/21/386201921.db2.gz FXWDYOYLNNBCJG-UWVGGRQHSA-N 1 2 225.292 0.670 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1[nH+]ccn1C ZINC000264029679 386203415 /nfs/dbraw/zinc/20/34/15/386203415.db2.gz MGJUOWSJTNUMJL-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO CC[C@H](O)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000339011880 386208437 /nfs/dbraw/zinc/20/84/37/386208437.db2.gz VTPPTGFTBQRYBG-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000339011880 386208440 /nfs/dbraw/zinc/20/84/40/386208440.db2.gz VTPPTGFTBQRYBG-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC(C)c1nc(N2CCNC(=O)[C@H]2C)cc[nH+]1 ZINC000408357908 386209650 /nfs/dbraw/zinc/20/96/50/386209650.db2.gz CVEWBMDRDGWFTN-SECBINFHSA-N 1 2 234.303 0.925 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989574 386209837 /nfs/dbraw/zinc/20/98/37/386209837.db2.gz FKRQZEYHVLNNHR-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989574 386209841 /nfs/dbraw/zinc/20/98/41/386209841.db2.gz FKRQZEYHVLNNHR-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000347063116 386211484 /nfs/dbraw/zinc/21/14/84/386211484.db2.gz WPAOVAKZMPJKIL-RKDXNWHRSA-N 1 2 210.281 0.597 20 0 BCADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000347063116 386211486 /nfs/dbraw/zinc/21/14/86/386211486.db2.gz WPAOVAKZMPJKIL-RKDXNWHRSA-N 1 2 210.281 0.597 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000275439254 386213766 /nfs/dbraw/zinc/21/37/66/386213766.db2.gz DGZXDEFJWIGSOX-UHFFFAOYSA-N 1 2 239.275 0.676 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cnn[nH]1 ZINC000340289291 386217484 /nfs/dbraw/zinc/21/74/84/386217484.db2.gz FEIVDDAQNMICFY-WPRPVWTQSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cnn[nH]1 ZINC000340289291 386217487 /nfs/dbraw/zinc/21/74/87/386217487.db2.gz FEIVDDAQNMICFY-WPRPVWTQSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC000340289291 386217493 /nfs/dbraw/zinc/21/74/93/386217493.db2.gz FEIVDDAQNMICFY-WPRPVWTQSA-N 1 2 210.281 0.540 20 0 BCADLO Cc1nnccc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297068675 386223675 /nfs/dbraw/zinc/22/36/75/386223675.db2.gz LJUPHVJZOIBSEA-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)n1C ZINC000264331961 386227111 /nfs/dbraw/zinc/22/71/11/386227111.db2.gz SXFQYZVQZQLADR-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO COc1cc[nH+]cc1CN1CCCS1(=O)=O ZINC000288695833 386227622 /nfs/dbraw/zinc/22/76/22/386227622.db2.gz UENDFLUKESLIRN-UHFFFAOYSA-N 1 2 242.300 0.626 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1cncn1 ZINC000347047314 386229370 /nfs/dbraw/zinc/22/93/70/386229370.db2.gz GYRITNHDDVDCGM-LYGAQUJYSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1cncn1 ZINC000347047314 386229375 /nfs/dbraw/zinc/22/93/75/386229375.db2.gz GYRITNHDDVDCGM-LYGAQUJYSA-N 1 2 242.348 0.119 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccsn2)C1 ZINC000297166748 386230512 /nfs/dbraw/zinc/23/05/12/386230512.db2.gz SUDMLXJRIHZNFS-UHFFFAOYSA-N 1 2 225.317 0.966 20 0 BCADLO CN(CCn1cccn1)C(=O)CCn1cc[nH+]c1 ZINC000347120040 386234237 /nfs/dbraw/zinc/23/42/37/386234237.db2.gz JNPIEMOWPWJZEI-UHFFFAOYSA-N 1 2 247.302 0.628 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccno2)C[C@H](C)O1 ZINC000275786701 386237813 /nfs/dbraw/zinc/23/78/13/386237813.db2.gz DAVKZCDVJGHAGE-GXSJLCMTSA-N 1 2 226.276 0.910 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccno2)C[C@H](C)O1 ZINC000275786701 386237819 /nfs/dbraw/zinc/23/78/19/386237819.db2.gz DAVKZCDVJGHAGE-GXSJLCMTSA-N 1 2 226.276 0.910 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000339080662 386238293 /nfs/dbraw/zinc/23/82/93/386238293.db2.gz JJJPOZRUAGWNBE-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000339080662 386238296 /nfs/dbraw/zinc/23/82/96/386238296.db2.gz JJJPOZRUAGWNBE-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CO[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000275993816 386260558 /nfs/dbraw/zinc/26/05/58/386260558.db2.gz NGUKENFJQMQELO-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CO[C@@H]1C[NH+]([C@H](C)c2nncn2C)C[C@H]1OC ZINC000347132375 386240206 /nfs/dbraw/zinc/24/02/06/386240206.db2.gz PEDNKFZWHCQMQO-OPRDCNLKSA-N 1 2 240.307 0.222 20 0 BCADLO C[C@H](CC[NH2+]Cc1ccn[nH]1)[S@](C)=O ZINC000132590465 386246178 /nfs/dbraw/zinc/24/61/78/386246178.db2.gz OASCXPQAZGUSGQ-XLKFXECMSA-N 1 2 215.322 0.656 20 0 BCADLO CSCC[N@H+](C)Cc1cn(C)nn1 ZINC000336645531 386252073 /nfs/dbraw/zinc/25/20/73/386252073.db2.gz XLAJACZDXDWSAW-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO CSCC[N@@H+](C)Cc1cn(C)nn1 ZINC000336645531 386252081 /nfs/dbraw/zinc/25/20/81/386252081.db2.gz XLAJACZDXDWSAW-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO CCCNC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647932764 386253242 /nfs/dbraw/zinc/25/32/42/386253242.db2.gz PACSLYFCLVVMKF-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000339129321 386253680 /nfs/dbraw/zinc/25/36/80/386253680.db2.gz UFQCQNUFSGUUSP-RKDXNWHRSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000339129321 386253682 /nfs/dbraw/zinc/25/36/82/386253682.db2.gz UFQCQNUFSGUUSP-RKDXNWHRSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@H](O)C2)nc1 ZINC000336646283 386254676 /nfs/dbraw/zinc/25/46/76/386254676.db2.gz KCESIQFHJNDGHG-SNVBAGLBSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@H](O)C2)nc1 ZINC000336646283 386254679 /nfs/dbraw/zinc/25/46/79/386254679.db2.gz KCESIQFHJNDGHG-SNVBAGLBSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1noc(OCCC[NH+]2CCN(C)CC2)n1 ZINC000339114622 386255073 /nfs/dbraw/zinc/25/50/73/386255073.db2.gz PDPWZSJFNUDAGO-UHFFFAOYSA-N 1 2 240.307 0.394 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000336648432 386257706 /nfs/dbraw/zinc/25/77/06/386257706.db2.gz OOXHCKMZICKZFL-SECBINFHSA-N 1 2 228.317 0.856 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000336648432 386257711 /nfs/dbraw/zinc/25/77/11/386257711.db2.gz OOXHCKMZICKZFL-SECBINFHSA-N 1 2 228.317 0.856 20 0 BCADLO CO[C@](C)(CNc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000310539330 386196475 /nfs/dbraw/zinc/19/64/75/386196475.db2.gz QERKMRHAZCKQAB-LLVKDONJSA-N 1 2 237.307 0.989 20 0 BCADLO CO[C@](C)(CNc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000310539330 386196479 /nfs/dbraw/zinc/19/64/79/386196479.db2.gz QERKMRHAZCKQAB-LLVKDONJSA-N 1 2 237.307 0.989 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)CCC1=O ZINC000288422077 386198950 /nfs/dbraw/zinc/19/89/50/386198950.db2.gz CQWVOJIIOIXNGC-UHFFFAOYSA-N 1 2 220.228 0.739 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCSCC1)[C@@H](C)O ZINC000191024102 386199525 /nfs/dbraw/zinc/19/95/25/386199525.db2.gz UUMWTEQIVXUKKI-VXNVDRBHSA-N 1 2 233.333 0.394 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCCCC1)[C@@H](C)O ZINC000191023998 386199805 /nfs/dbraw/zinc/19/98/05/386199805.db2.gz PNNHKXGHZBTMMC-SCZZXKLOSA-N 1 2 215.293 0.831 20 0 BCADLO Cn1ncc(C[NH2+]C2(C(N)=O)CCCCC2)n1 ZINC000289287013 386280807 /nfs/dbraw/zinc/28/08/07/386280807.db2.gz ANWXARWWTGNOAB-UHFFFAOYSA-N 1 2 237.307 0.093 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CCNC(=O)N(C)C ZINC000340583876 386280902 /nfs/dbraw/zinc/28/09/02/386280902.db2.gz VSAIUGSMMRIJSA-UHFFFAOYSA-N 1 2 239.323 0.421 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)CCNC(=O)N(C)C ZINC000340583876 386280908 /nfs/dbraw/zinc/28/09/08/386280908.db2.gz VSAIUGSMMRIJSA-UHFFFAOYSA-N 1 2 239.323 0.421 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000340583876 386280915 /nfs/dbraw/zinc/28/09/15/386280915.db2.gz VSAIUGSMMRIJSA-UHFFFAOYSA-N 1 2 239.323 0.421 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)CCNC(=O)N(C)C ZINC000340583876 386280918 /nfs/dbraw/zinc/28/09/18/386280918.db2.gz VSAIUGSMMRIJSA-UHFFFAOYSA-N 1 2 239.323 0.421 20 0 BCADLO Cn1ncc2c1nc(NC[C@@H]1CCOC1)[nH+]c2N ZINC000276166619 386281465 /nfs/dbraw/zinc/28/14/65/386281465.db2.gz KSVSUWCBOKRSRM-ZETCQYMHSA-N 1 2 248.290 0.394 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCN(C(=O)CC)C1 ZINC000425505502 386283518 /nfs/dbraw/zinc/28/35/18/386283518.db2.gz BKEOIUWYTRKQAD-NSHDSACASA-N 1 2 244.335 0.286 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CCN(C(=O)CC)C1 ZINC000425505502 386283524 /nfs/dbraw/zinc/28/35/24/386283524.db2.gz BKEOIUWYTRKQAD-NSHDSACASA-N 1 2 244.335 0.286 20 0 BCADLO C[C@H](C[N@@H+]1CCOC(C)(C)C1)CS(C)(=O)=O ZINC000336664143 386285566 /nfs/dbraw/zinc/28/55/66/386285566.db2.gz DUUBLZMRYVXTIU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[C@H](C[N@H+]1CCOC(C)(C)C1)CS(C)(=O)=O ZINC000336664143 386285569 /nfs/dbraw/zinc/28/55/69/386285569.db2.gz DUUBLZMRYVXTIU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](C)OC)C1 ZINC000425506073 386286012 /nfs/dbraw/zinc/28/60/12/386286012.db2.gz CQUWZQHWWUEDIY-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](C)OC)C1 ZINC000425506073 386286013 /nfs/dbraw/zinc/28/60/13/386286013.db2.gz CQUWZQHWWUEDIY-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO O=C(COC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000264962294 386289906 /nfs/dbraw/zinc/28/99/06/386289906.db2.gz AWSUIPFQTBAGNO-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198369 386290425 /nfs/dbraw/zinc/29/04/25/386290425.db2.gz ILVPAPHFEVNQMO-SFYZADRCSA-N 1 2 226.280 0.071 20 0 BCADLO C[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198369 386290430 /nfs/dbraw/zinc/29/04/30/386290430.db2.gz ILVPAPHFEVNQMO-SFYZADRCSA-N 1 2 226.280 0.071 20 0 BCADLO Cc1[nH]c(C(=O)NCCOCC2CC2)c[nH+]1 ZINC000264957072 386290797 /nfs/dbraw/zinc/29/07/97/386290797.db2.gz VQYARLAQRJQTFK-UHFFFAOYSA-N 1 2 223.276 0.875 20 0 BCADLO Cn1ncc(C[N@H+](C)C2(C(N)=O)CCCC2)n1 ZINC000289383442 386293117 /nfs/dbraw/zinc/29/31/17/386293117.db2.gz PXRLYYDNTGPBMT-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1ncc(C[N@@H+](C)C2(C(N)=O)CCCC2)n1 ZINC000289383442 386293121 /nfs/dbraw/zinc/29/31/21/386293121.db2.gz PXRLYYDNTGPBMT-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@@H](C)COC)C1 ZINC000425508863 386293628 /nfs/dbraw/zinc/29/36/28/386293628.db2.gz IRYQHQYVIDLWSJ-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@@H](C)COC)C1 ZINC000425508863 386293631 /nfs/dbraw/zinc/29/36/31/386293631.db2.gz IRYQHQYVIDLWSJ-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO CC[C@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276273535 386295419 /nfs/dbraw/zinc/29/54/19/386295419.db2.gz OFHITBLNQBZUDE-ZCFIWIBFSA-N 1 2 236.279 0.128 20 0 BCADLO Cn1ncc(C[N@H+](C)CCc2ccccn2)n1 ZINC000289393271 386295808 /nfs/dbraw/zinc/29/58/08/386295808.db2.gz RGXFNXNUPJLWQN-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCc2ccccn2)n1 ZINC000289393271 386295811 /nfs/dbraw/zinc/29/58/11/386295811.db2.gz RGXFNXNUPJLWQN-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO COCc1nc(C[N@H+](C)CCO)cs1 ZINC000336671478 386298843 /nfs/dbraw/zinc/29/88/43/386298843.db2.gz KODRNLPJVWKBLQ-UHFFFAOYSA-N 1 2 216.306 0.714 20 0 BCADLO COCc1nc(C[N@@H+](C)CCO)cs1 ZINC000336671478 386298848 /nfs/dbraw/zinc/29/88/48/386298848.db2.gz KODRNLPJVWKBLQ-UHFFFAOYSA-N 1 2 216.306 0.714 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000336660686 386299197 /nfs/dbraw/zinc/29/91/97/386299197.db2.gz AZDJXYWDXAZCNR-MNOVXSKESA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000336660686 386299201 /nfs/dbraw/zinc/29/92/01/386299201.db2.gz AZDJXYWDXAZCNR-MNOVXSKESA-N 1 2 249.376 0.778 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H](CO)C2)c[nH+]1 ZINC000298321619 386324764 /nfs/dbraw/zinc/32/47/64/386324764.db2.gz NIZWDYZUKTZVMA-ZJUUUORDSA-N 1 2 237.303 0.999 20 0 BCADLO C[C@@H](O)CNc1cc(NCC(C)(C)O)nc[nH+]1 ZINC000298147914 386303514 /nfs/dbraw/zinc/30/35/14/386303514.db2.gz DELZQQXPGOPUIZ-MRVPVSSYSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CNc1cc(NCC(C)(C)O)[nH+]cn1 ZINC000298147914 386303518 /nfs/dbraw/zinc/30/35/18/386303518.db2.gz DELZQQXPGOPUIZ-MRVPVSSYSA-N 1 2 240.307 0.452 20 0 BCADLO Cc1nonc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000265101129 386304276 /nfs/dbraw/zinc/30/42/76/386304276.db2.gz DWPJQTZUGUKFAX-UHFFFAOYSA-N 1 2 238.291 0.465 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1nnnn1C ZINC000188209492 386306219 /nfs/dbraw/zinc/30/62/19/386306219.db2.gz RWRBUEFGPGPAJQ-QMMMGPOBSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1nnnn1C ZINC000188209492 386306222 /nfs/dbraw/zinc/30/62/22/386306222.db2.gz RWRBUEFGPGPAJQ-QMMMGPOBSA-N 1 2 243.336 0.023 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(=O)N(C)CC)C1 ZINC000425518210 386308782 /nfs/dbraw/zinc/30/87/82/386308782.db2.gz MRBXFKPFVXIWET-UHFFFAOYSA-N 1 2 241.335 0.367 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(=O)N(C)CC)C1 ZINC000425518210 386308785 /nfs/dbraw/zinc/30/87/85/386308785.db2.gz MRBXFKPFVXIWET-UHFFFAOYSA-N 1 2 241.335 0.367 20 0 BCADLO CO[C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347273669 386312644 /nfs/dbraw/zinc/31/26/44/386312644.db2.gz GZWZMWRKRGIJAE-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn(C)nc1C(F)F ZINC000276385398 386314565 /nfs/dbraw/zinc/31/45/65/386314565.db2.gz HIXWDWQQIANVKW-UHFFFAOYSA-N 1 2 246.261 0.665 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn(C)nc1C(F)F ZINC000276385398 386314570 /nfs/dbraw/zinc/31/45/70/386314570.db2.gz HIXWDWQQIANVKW-UHFFFAOYSA-N 1 2 246.261 0.665 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nnnn1C1CC1 ZINC000336678939 386317509 /nfs/dbraw/zinc/31/75/09/386317509.db2.gz WTYRPRLTFHUTKA-MRVPVSSYSA-N 1 2 225.296 0.475 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nnnn1C1CC1 ZINC000336678939 386317512 /nfs/dbraw/zinc/31/75/12/386317512.db2.gz WTYRPRLTFHUTKA-MRVPVSSYSA-N 1 2 225.296 0.475 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H](O)CSC)CCCC1 ZINC000188149735 386263972 /nfs/dbraw/zinc/26/39/72/386263972.db2.gz YNBVSWUDXWMRJM-SECBINFHSA-N 1 2 247.360 0.786 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCOC1 ZINC000289128610 386265036 /nfs/dbraw/zinc/26/50/36/386265036.db2.gz NCZSCENVRBQCOP-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO CC(C)n1ccnc1C[N@H+](CCO)CCCO ZINC000264753121 386266167 /nfs/dbraw/zinc/26/61/67/386266167.db2.gz VWFWPAQBRMIMQQ-UHFFFAOYSA-N 1 2 241.335 0.641 20 0 BCADLO CC(C)n1ccnc1C[N@@H+](CCO)CCCO ZINC000264753121 386266173 /nfs/dbraw/zinc/26/61/73/386266173.db2.gz VWFWPAQBRMIMQQ-UHFFFAOYSA-N 1 2 241.335 0.641 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(=O)N[C@H](C)C1 ZINC000297615352 386266757 /nfs/dbraw/zinc/26/67/57/386266757.db2.gz BHWIVAQMDWHCPZ-SECBINFHSA-N 1 2 248.286 0.742 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000264733269 386267363 /nfs/dbraw/zinc/26/73/63/386267363.db2.gz FIXFMHNFLZMIGH-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO CC[C@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000339136393 386268140 /nfs/dbraw/zinc/26/81/40/386268140.db2.gz NQCAOMCRBONQAC-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO CC[C@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000339136393 386268143 /nfs/dbraw/zinc/26/81/43/386268143.db2.gz NQCAOMCRBONQAC-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO C[C@@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000276083642 386271544 /nfs/dbraw/zinc/27/15/44/386271544.db2.gz GRTGUZBWMYFCNX-RKDXNWHRSA-N 1 2 223.276 0.844 20 0 BCADLO CN(C(=O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000647933049 386272680 /nfs/dbraw/zinc/27/26/80/386272680.db2.gz ZLLLKMYDNXQCPD-UHFFFAOYSA-N 1 2 234.303 0.389 20 0 BCADLO COCc1nc(C[NH+](CCO)CCO)cs1 ZINC000336676311 386323958 /nfs/dbraw/zinc/32/39/58/386323958.db2.gz MZTGTVKUSCPCQF-UHFFFAOYSA-N 1 2 246.332 0.076 20 0 BCADLO CCOCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276142069 386277484 /nfs/dbraw/zinc/27/74/84/386277484.db2.gz IELSVCXMCFBMPO-UHFFFAOYSA-N 1 2 236.279 0.394 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)cnn1C ZINC000289243993 386277855 /nfs/dbraw/zinc/27/78/55/386277855.db2.gz ZYFQEOZAPFZAPQ-SNVBAGLBSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1c(C)cnn1C ZINC000289243993 386277858 /nfs/dbraw/zinc/27/78/58/386277858.db2.gz ZYFQEOZAPFZAPQ-SNVBAGLBSA-N 1 2 237.303 0.866 20 0 BCADLO CCO[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298456290 386345571 /nfs/dbraw/zinc/34/55/71/386345571.db2.gz NNWKQIFTHPARJD-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO C[C@@H](O)C[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276577097 386347518 /nfs/dbraw/zinc/34/75/18/386347518.db2.gz LCRUFBVYCMFVBK-HIHHVFROSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276594669 386349683 /nfs/dbraw/zinc/34/96/83/386349683.db2.gz NNZIMIKANKUKSM-ALWPCLGOSA-N 1 2 237.303 0.946 20 0 BCADLO CO[C@@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298516621 386355744 /nfs/dbraw/zinc/35/57/44/386355744.db2.gz BOBMXMJUCHPEMB-BDAKNGLRSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298516621 386355750 /nfs/dbraw/zinc/35/57/50/386355750.db2.gz BOBMXMJUCHPEMB-BDAKNGLRSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@H]1C[NH+](Cc2ncc(C)cn2)C[C@@H]1OC ZINC000336691086 386360233 /nfs/dbraw/zinc/36/02/33/386360233.db2.gz DNCLCQQADCGFKD-QWRGUYRKSA-N 1 2 237.303 0.631 20 0 BCADLO CC(=O)NCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000298598604 386362795 /nfs/dbraw/zinc/36/27/95/386362795.db2.gz FKMAPFBWJANETJ-UHFFFAOYSA-N 1 2 236.275 0.222 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccnc(N)c1 ZINC000298595176 386364104 /nfs/dbraw/zinc/36/41/04/386364104.db2.gz SABGLFQBMNDXBZ-MRVPVSSYSA-N 1 2 223.276 0.657 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccnc(N)c1 ZINC000298595176 386364109 /nfs/dbraw/zinc/36/41/09/386364109.db2.gz SABGLFQBMNDXBZ-MRVPVSSYSA-N 1 2 223.276 0.657 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000298655481 386364924 /nfs/dbraw/zinc/36/49/24/386364924.db2.gz APDVELCOPOVORW-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000339363588 386387021 /nfs/dbraw/zinc/38/70/21/386387021.db2.gz TZZKTRLGSHIWDB-JTQLQIEISA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000339363588 386387025 /nfs/dbraw/zinc/38/70/25/386387025.db2.gz TZZKTRLGSHIWDB-JTQLQIEISA-N 1 2 241.266 0.153 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347370297 386367527 /nfs/dbraw/zinc/36/75/27/386367527.db2.gz LQWAKOHKRHKCEF-LBPRGKRZSA-N 1 2 246.326 0.650 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347370297 386367535 /nfs/dbraw/zinc/36/75/35/386367535.db2.gz LQWAKOHKRHKCEF-LBPRGKRZSA-N 1 2 246.326 0.650 20 0 BCADLO CC(C)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000339324581 386370226 /nfs/dbraw/zinc/37/02/26/386370226.db2.gz ATHJYVUSCJYPFO-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000265798824 386370522 /nfs/dbraw/zinc/37/05/22/386370522.db2.gz JZWNNWXBBDZVNB-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1ccccc1F ZINC000298721233 386376014 /nfs/dbraw/zinc/37/60/14/386376014.db2.gz ODEYZSDOEFPDQF-SNVBAGLBSA-N 1 2 226.251 0.276 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1ccccc1F ZINC000298721233 386376019 /nfs/dbraw/zinc/37/60/19/386376019.db2.gz ODEYZSDOEFPDQF-SNVBAGLBSA-N 1 2 226.251 0.276 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000347384468 386376750 /nfs/dbraw/zinc/37/67/50/386376750.db2.gz PCKKTJVDBNENNV-NSHDSACASA-N 1 2 214.284 0.947 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000347384468 386376755 /nfs/dbraw/zinc/37/67/55/386376755.db2.gz PCKKTJVDBNENNV-NSHDSACASA-N 1 2 214.284 0.947 20 0 BCADLO C[C@H](O)CNc1cc(N(C)C[C@H](C)O)nc[nH+]1 ZINC000298811988 386387523 /nfs/dbraw/zinc/38/75/23/386387523.db2.gz FYPZZJXSJFAVSU-IUCAKERBSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@H](O)CNc1cc(N(C)C[C@H](C)O)[nH+]cn1 ZINC000298811988 386387526 /nfs/dbraw/zinc/38/75/26/386387526.db2.gz FYPZZJXSJFAVSU-IUCAKERBSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](NC(=O)C[N@H+](C)CC(N)=O)c1ccccc1 ZINC000298741087 386380169 /nfs/dbraw/zinc/38/01/69/386380169.db2.gz XZSMRVKFLZEOLQ-SNVBAGLBSA-N 1 2 249.314 0.281 20 0 BCADLO C[C@@H](NC(=O)C[N@@H+](C)CC(N)=O)c1ccccc1 ZINC000298741087 386380173 /nfs/dbraw/zinc/38/01/73/386380173.db2.gz XZSMRVKFLZEOLQ-SNVBAGLBSA-N 1 2 249.314 0.281 20 0 BCADLO CC(C)[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000336697553 386381741 /nfs/dbraw/zinc/38/17/41/386381741.db2.gz ONTQQPGZMMVMFM-SECBINFHSA-N 1 2 209.297 0.688 20 0 BCADLO CC(C)[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336697553 386381748 /nfs/dbraw/zinc/38/17/48/386381748.db2.gz ONTQQPGZMMVMFM-SECBINFHSA-N 1 2 209.297 0.688 20 0 BCADLO Cc1nnc2ccc(NCCn3cc[nH+]c3)nn12 ZINC000298773822 386384234 /nfs/dbraw/zinc/38/42/34/386384234.db2.gz GQAXOVYWRWGQOA-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO CCC(=O)N1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000425522447 386326141 /nfs/dbraw/zinc/32/61/41/386326141.db2.gz VWSZGHCUFYRKHC-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347326946 386326174 /nfs/dbraw/zinc/32/61/74/386326174.db2.gz FOJABHVYRBDZLI-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347326946 386326179 /nfs/dbraw/zinc/32/61/79/386326179.db2.gz FOJABHVYRBDZLI-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000425522447 386326148 /nfs/dbraw/zinc/32/61/48/386326148.db2.gz VWSZGHCUFYRKHC-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425523501 386326294 /nfs/dbraw/zinc/32/62/94/386326294.db2.gz ZAJAAYLDGUFNJG-UHFFFAOYSA-N 1 2 242.319 0.841 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425523501 386326298 /nfs/dbraw/zinc/32/62/98/386326298.db2.gz ZAJAAYLDGUFNJG-UHFFFAOYSA-N 1 2 242.319 0.841 20 0 BCADLO CC[C@@H](C)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647933233 386335025 /nfs/dbraw/zinc/33/50/25/386335025.db2.gz GXWAPWQGNUIBJJ-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cnns1 ZINC000276504875 386336578 /nfs/dbraw/zinc/33/65/78/386336578.db2.gz IIFICTSIBAWYHM-UHFFFAOYSA-N 1 2 223.261 0.763 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000276511469 386338312 /nfs/dbraw/zinc/33/83/12/386338312.db2.gz BHDWBBAJOCSHKS-XIJCSBCJSA-N 1 2 235.287 0.843 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)nn1C ZINC000336717296 386436975 /nfs/dbraw/zinc/43/69/75/386436975.db2.gz WFSDBFUGLCNLNY-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)nn1C ZINC000336717296 386436982 /nfs/dbraw/zinc/43/69/82/386436982.db2.gz WFSDBFUGLCNLNY-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000347484462 386438171 /nfs/dbraw/zinc/43/81/71/386438171.db2.gz WFTDYBYCIQVPQL-ZETCQYMHSA-N 1 2 214.269 0.103 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000347484462 386438175 /nfs/dbraw/zinc/43/81/75/386438175.db2.gz WFTDYBYCIQVPQL-ZETCQYMHSA-N 1 2 214.269 0.103 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347546780 386447868 /nfs/dbraw/zinc/44/78/68/386447868.db2.gz WFSZJWANRIQSRN-VXNVDRBHSA-N 1 2 222.292 0.495 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347546780 386447870 /nfs/dbraw/zinc/44/78/70/386447870.db2.gz WFSZJWANRIQSRN-VXNVDRBHSA-N 1 2 222.292 0.495 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347546779 386448347 /nfs/dbraw/zinc/44/83/47/386448347.db2.gz WFSZJWANRIQSRN-IONNQARKSA-N 1 2 222.292 0.495 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347546779 386448352 /nfs/dbraw/zinc/44/83/52/386448352.db2.gz WFSZJWANRIQSRN-IONNQARKSA-N 1 2 222.292 0.495 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)CCC(F)(F)F ZINC000339354304 386388554 /nfs/dbraw/zinc/38/85/54/386388554.db2.gz GSZXKPDFAZCZRS-ZCFIWIBFSA-N 1 2 228.214 0.371 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)CCC(F)(F)F ZINC000339354304 386388555 /nfs/dbraw/zinc/38/85/55/386388555.db2.gz GSZXKPDFAZCZRS-ZCFIWIBFSA-N 1 2 228.214 0.371 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCOC)[nH]1 ZINC000347352471 386388862 /nfs/dbraw/zinc/38/88/62/386388862.db2.gz YGYFPXPRWKAUEH-UHFFFAOYSA-N 1 2 212.297 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCOC)[nH]1 ZINC000347352471 386388864 /nfs/dbraw/zinc/38/88/64/386388864.db2.gz YGYFPXPRWKAUEH-UHFFFAOYSA-N 1 2 212.297 0.835 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000334496120 386390075 /nfs/dbraw/zinc/39/00/75/386390075.db2.gz IBEZPCKCBWGUMG-KOLCDFICSA-N 1 2 245.282 0.930 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cnn1C ZINC000336694490 386390975 /nfs/dbraw/zinc/39/09/75/386390975.db2.gz LJLLNNQXIWFAHB-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cnn1C ZINC000336694490 386390977 /nfs/dbraw/zinc/39/09/77/386390977.db2.gz LJLLNNQXIWFAHB-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347352848 386392762 /nfs/dbraw/zinc/39/27/62/386392762.db2.gz OEHOWSXKCLJCGB-KWQFWETISA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347352848 386392765 /nfs/dbraw/zinc/39/27/65/386392765.db2.gz OEHOWSXKCLJCGB-KWQFWETISA-N 1 2 246.282 0.098 20 0 BCADLO CON(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276944931 386394768 /nfs/dbraw/zinc/39/47/68/386394768.db2.gz WLMMQGULKBSSRG-QMMMGPOBSA-N 1 2 212.253 0.474 20 0 BCADLO Cn1ccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000290123976 386394984 /nfs/dbraw/zinc/39/49/84/386394984.db2.gz JANWZTJJKFMGKJ-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1ccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000290123976 386394987 /nfs/dbraw/zinc/39/49/87/386394987.db2.gz JANWZTJJKFMGKJ-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000340613545 386397455 /nfs/dbraw/zinc/39/74/55/386397455.db2.gz DFLROZZFLCHMPM-NMLBEHRDSA-N 1 2 240.303 0.195 20 0 BCADLO Cn1nncc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000290132853 386398461 /nfs/dbraw/zinc/39/84/61/386398461.db2.gz ZSHREVMRJIWMHF-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1nncc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000290132853 386398464 /nfs/dbraw/zinc/39/84/64/386398464.db2.gz ZSHREVMRJIWMHF-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000336700978 386400129 /nfs/dbraw/zinc/40/01/29/386400129.db2.gz JVUUUKNWOCOOBF-VHSXEESVSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000336700978 386400131 /nfs/dbraw/zinc/40/01/31/386400131.db2.gz JVUUUKNWOCOOBF-VHSXEESVSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000336700979 386402318 /nfs/dbraw/zinc/40/23/18/386402318.db2.gz JVUUUKNWOCOOBF-ZJUUUORDSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000336700979 386402320 /nfs/dbraw/zinc/40/23/20/386402320.db2.gz JVUUUKNWOCOOBF-ZJUUUORDSA-N 1 2 237.307 0.069 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1csnn1 ZINC000299002284 386402566 /nfs/dbraw/zinc/40/25/66/386402566.db2.gz JWUINNHFTSXQQC-SSDOTTSWSA-N 1 2 237.288 0.553 20 0 BCADLO Cc1ccn2cc(CN3C(=O)CNC3=O)[nH+]c2c1 ZINC000299058573 386406619 /nfs/dbraw/zinc/40/66/19/386406619.db2.gz SEPWZWVCCSNZMB-UHFFFAOYSA-N 1 2 244.254 0.695 20 0 BCADLO COc1cc(C[N@H+](C)CC(N)=O)cc(OC)c1 ZINC000299149804 386420439 /nfs/dbraw/zinc/42/04/39/386420439.db2.gz YCYWICLDVPANJA-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO COc1cc(C[N@@H+](C)CC(N)=O)cc(OC)c1 ZINC000299149804 386420445 /nfs/dbraw/zinc/42/04/45/386420445.db2.gz YCYWICLDVPANJA-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO Cc1cnn(CCC(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000347490766 386421367 /nfs/dbraw/zinc/42/13/67/386421367.db2.gz FWWFXWSHQGNTSQ-UHFFFAOYSA-N 1 2 247.302 0.963 20 0 BCADLO CC[N@H+](CCCO)Cc1nc([C@H](C)OC)no1 ZINC000336710660 386424203 /nfs/dbraw/zinc/42/42/03/386424203.db2.gz QRIFHTYLKWGJAS-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc([C@H](C)OC)no1 ZINC000336710660 386424205 /nfs/dbraw/zinc/42/42/05/386424205.db2.gz QRIFHTYLKWGJAS-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CCc1n[nH]cc1C(=O)N1CC[NH+](C)CC1 ZINC000299207458 386424533 /nfs/dbraw/zinc/42/45/33/386424533.db2.gz GDDJIMJQHNJDBG-UHFFFAOYSA-N 1 2 222.292 0.360 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)NC1CC1 ZINC000647934013 386427482 /nfs/dbraw/zinc/42/74/82/386427482.db2.gz VTGMSQCWNUKCHL-UHFFFAOYSA-N 1 2 220.276 0.046 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCOC1 ZINC000299289058 386434594 /nfs/dbraw/zinc/43/45/94/386434594.db2.gz ZRLQBCBMJYCIHF-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cnn(C)c1 ZINC000299564872 386467670 /nfs/dbraw/zinc/46/76/70/386467670.db2.gz BGYKMTMETXBPKT-SNVBAGLBSA-N 1 2 247.302 0.364 20 0 BCADLO COC[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000299568806 386468311 /nfs/dbraw/zinc/46/83/11/386468311.db2.gz BGJWYVSEDRIYTI-SNVBAGLBSA-N 1 2 225.292 0.672 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000339577013 386473060 /nfs/dbraw/zinc/47/30/60/386473060.db2.gz WNJLLWRPZYIENI-BDAKNGLRSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000339577013 386473064 /nfs/dbraw/zinc/47/30/64/386473064.db2.gz WNJLLWRPZYIENI-BDAKNGLRSA-N 1 2 232.287 0.863 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399276279 386476620 /nfs/dbraw/zinc/47/66/20/386476620.db2.gz YFYWAMSPRXKVRF-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399276279 386476623 /nfs/dbraw/zinc/47/66/23/386476623.db2.gz YFYWAMSPRXKVRF-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CN(Cc1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000299697794 386480276 /nfs/dbraw/zinc/48/02/76/386480276.db2.gz YMNQLCSCXLQEGB-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO O=S1(=O)CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000068940136 386486193 /nfs/dbraw/zinc/48/61/93/386486193.db2.gz RUWIYZZSWOIWHP-QMMMGPOBSA-N 1 2 246.357 0.810 20 0 BCADLO CC(C)N1CC[C@H]([NH2+]Cc2cocn2)C1=O ZINC000191099198 386491498 /nfs/dbraw/zinc/49/14/98/386491498.db2.gz CKVWZQATZMBQQI-JTQLQIEISA-N 1 2 223.276 0.774 20 0 BCADLO O=C(c1ccncc1)N1CCn2c[nH+]cc2C1 ZINC000290953804 386493149 /nfs/dbraw/zinc/49/31/49/386493149.db2.gz QLMYRIZLXUBQMH-UHFFFAOYSA-N 1 2 228.255 0.934 20 0 BCADLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000290975298 386494019 /nfs/dbraw/zinc/49/40/19/386494019.db2.gz CECYHHOJPDSDHS-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CC(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC000645351656 386495521 /nfs/dbraw/zinc/49/55/21/386495521.db2.gz BWNKXKWWVLHPOB-UHFFFAOYSA-N 1 2 236.319 0.974 20 0 BCADLO Cn1nccc1C[N@@H+]1CCn2cncc2C1 ZINC000291000998 386495957 /nfs/dbraw/zinc/49/59/57/386495957.db2.gz ATOJTKOQIDHSRJ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1nccc1C[N@H+]1CCn2cncc2C1 ZINC000291000998 386495963 /nfs/dbraw/zinc/49/59/63/386495963.db2.gz ATOJTKOQIDHSRJ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267167265 386504077 /nfs/dbraw/zinc/50/40/77/386504077.db2.gz HFCQYSZEXMXTLN-PSASIEDQSA-N 1 2 223.276 0.759 20 0 BCADLO COC[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000191899677 386505433 /nfs/dbraw/zinc/50/54/33/386505433.db2.gz FCUIFSCEWOECRV-SSDOTTSWSA-N 1 2 214.269 0.260 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1n[nH]c2c1CCC2 ZINC000267184823 386506981 /nfs/dbraw/zinc/50/69/81/386506981.db2.gz KOGRXSQKZUWOHI-UHFFFAOYSA-N 1 2 245.286 0.860 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000227982055 386529877 /nfs/dbraw/zinc/52/98/77/386529877.db2.gz MWWMNCXGOITWEJ-KOLCDFICSA-N 1 2 225.292 0.348 20 0 BCADLO C[NH+](C)CC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000267210867 386512909 /nfs/dbraw/zinc/51/29/09/386512909.db2.gz RXENMXVQUPROPR-MRXNPFEDSA-N 1 2 240.328 0.924 20 0 BCADLO C[C@H](CO)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000135456011 386515188 /nfs/dbraw/zinc/51/51/88/386515188.db2.gz LTDNLHXJODSIDJ-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO C[C@@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000278364609 386517793 /nfs/dbraw/zinc/51/77/93/386517793.db2.gz LWVAVHAAMYRFCI-UFUPEUMYSA-N 1 2 209.249 0.168 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518013 /nfs/dbraw/zinc/51/80/13/386518013.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 1 2 208.309 0.887 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](CC3CC3)C2)n1 ZINC000339682751 386519550 /nfs/dbraw/zinc/51/95/50/386519550.db2.gz LKBMDRVXTCEKRU-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](CC3CC3)C2)n1 ZINC000339682751 386519562 /nfs/dbraw/zinc/51/95/62/386519562.db2.gz LKBMDRVXTCEKRU-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](CC3CC3)C2)n1 ZINC000339682750 386520208 /nfs/dbraw/zinc/52/02/08/386520208.db2.gz LKBMDRVXTCEKRU-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](CC3CC3)C2)n1 ZINC000339682750 386520215 /nfs/dbraw/zinc/52/02/15/386520215.db2.gz LKBMDRVXTCEKRU-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1c[nH]nc1C ZINC000291184072 386522407 /nfs/dbraw/zinc/52/24/07/386522407.db2.gz FWCIYPZJEFTHHF-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1c[nH]nc1C ZINC000291184072 386522415 /nfs/dbraw/zinc/52/24/15/386522415.db2.gz FWCIYPZJEFTHHF-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCO1 ZINC000340349862 386459051 /nfs/dbraw/zinc/45/90/51/386459051.db2.gz CYTAWJVOIIJQOL-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO Cc1ocnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290645768 386464342 /nfs/dbraw/zinc/46/43/42/386464342.db2.gz AFMPEKWIBLELHR-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000267725467 386575312 /nfs/dbraw/zinc/57/53/12/386575312.db2.gz ZKKWBIMREONOBH-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000267725467 386575316 /nfs/dbraw/zinc/57/53/16/386575316.db2.gz ZKKWBIMREONOBH-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408424940 386576288 /nfs/dbraw/zinc/57/62/88/386576288.db2.gz YQBGSHNQIFHAOX-IUCAKERBSA-N 1 2 238.328 0.487 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408424940 386576296 /nfs/dbraw/zinc/57/62/96/386576296.db2.gz YQBGSHNQIFHAOX-IUCAKERBSA-N 1 2 238.328 0.487 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336997695 386577080 /nfs/dbraw/zinc/57/70/80/386577080.db2.gz PJSUYPDSQKRSHA-JGVFFNPUSA-N 1 2 237.259 0.177 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c[nH+]1 ZINC000267755231 386580140 /nfs/dbraw/zinc/58/01/40/386580140.db2.gz CRSWVNOPZHCQIJ-QMMMGPOBSA-N 1 2 248.286 0.211 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000335414371 386580834 /nfs/dbraw/zinc/58/08/34/386580834.db2.gz JCVWODYPVPEXFU-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000335414371 386580838 /nfs/dbraw/zinc/58/08/38/386580838.db2.gz JCVWODYPVPEXFU-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426247111 386581522 /nfs/dbraw/zinc/58/15/22/386581522.db2.gz YOZGCTBVYVFMRN-ZJUUUORDSA-N 1 2 241.335 0.051 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426247111 386581526 /nfs/dbraw/zinc/58/15/26/386581526.db2.gz YOZGCTBVYVFMRN-ZJUUUORDSA-N 1 2 241.335 0.051 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365651399 386583417 /nfs/dbraw/zinc/58/34/17/386583417.db2.gz DMMKVXSMXAWPOG-MNOVXSKESA-N 1 2 234.303 0.286 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000365651401 386585018 /nfs/dbraw/zinc/58/50/18/386585018.db2.gz DMMKVXSMXAWPOG-WDEREUQCSA-N 1 2 234.303 0.286 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)CC(=O)OC(C)(C)C ZINC000336644134 386587002 /nfs/dbraw/zinc/58/70/02/386587002.db2.gz BTUBFHBPTYFJQK-SECBINFHSA-N 1 2 233.308 0.003 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)CC(=O)OC(C)(C)C ZINC000336644134 386587007 /nfs/dbraw/zinc/58/70/07/386587007.db2.gz BTUBFHBPTYFJQK-SECBINFHSA-N 1 2 233.308 0.003 20 0 BCADLO NC(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335423252 386596579 /nfs/dbraw/zinc/59/65/79/386596579.db2.gz ZBUGBGNJMCHKPB-SECBINFHSA-N 1 2 216.306 0.730 20 0 BCADLO NC(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335423252 386596582 /nfs/dbraw/zinc/59/65/82/386596582.db2.gz ZBUGBGNJMCHKPB-SECBINFHSA-N 1 2 216.306 0.730 20 0 BCADLO CN(c1nc2c(cnn2C)c(N)[nH+]1)[C@@H]1CCOC1 ZINC000278504593 386536038 /nfs/dbraw/zinc/53/60/38/386536038.db2.gz XPBTZLWOAHBTFP-SSDOTTSWSA-N 1 2 248.290 0.171 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)on1 ZINC000519706039 386538788 /nfs/dbraw/zinc/53/87/88/386538788.db2.gz NSQIUWUYZIJWEH-NSHDSACASA-N 1 2 236.271 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)on1 ZINC000519706039 386538793 /nfs/dbraw/zinc/53/87/93/386538793.db2.gz NSQIUWUYZIJWEH-NSHDSACASA-N 1 2 236.271 0.834 20 0 BCADLO CO[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278526510 386542920 /nfs/dbraw/zinc/54/29/20/386542920.db2.gz ZMYYSXURIANWKX-ZETCQYMHSA-N 1 2 248.290 0.171 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000267544081 386550790 /nfs/dbraw/zinc/55/07/90/386550790.db2.gz WEVAYULEOGRDQA-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000267544081 386550793 /nfs/dbraw/zinc/55/07/93/386550793.db2.gz WEVAYULEOGRDQA-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO CCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000408416180 386555855 /nfs/dbraw/zinc/55/58/55/386555855.db2.gz SCNPSZNCKKZALR-UHFFFAOYSA-N 1 2 241.272 0.190 20 0 BCADLO CC[C@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000291624238 386559912 /nfs/dbraw/zinc/55/99/12/386559912.db2.gz BCBZOFPUPPNPPJ-LURJTMIESA-N 1 2 236.279 0.128 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1c[nH+]cn1C ZINC000267608374 386560174 /nfs/dbraw/zinc/56/01/74/386560174.db2.gz NKDAWGKDJSTRDU-XIZWVBILSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](O)C1 ZINC000519834201 386567130 /nfs/dbraw/zinc/56/71/30/386567130.db2.gz QKXUTVSSYOZQPN-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](O)C1 ZINC000519834201 386567136 /nfs/dbraw/zinc/56/71/36/386567136.db2.gz QKXUTVSSYOZQPN-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO CO[C@](C)(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000291701624 386571093 /nfs/dbraw/zinc/57/10/93/386571093.db2.gz NSHZMPJGCCIGSR-LBPRGKRZSA-N 1 2 237.303 0.851 20 0 BCADLO COC(=O)[C@@]1(F)CCN(Cc2[nH+]ccn2C)C1 ZINC000267684814 386571364 /nfs/dbraw/zinc/57/13/64/386571364.db2.gz RGUCJCDWYNODBT-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292114306 386620747 /nfs/dbraw/zinc/62/07/47/386620747.db2.gz QPZVCBVAZUAGMM-SNVBAGLBSA-N 1 2 223.276 0.242 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CC[C@H](C)O)CC2 ZINC000644929336 386626055 /nfs/dbraw/zinc/62/60/55/386626055.db2.gz XWWKIPPVYFNMNF-JTQLQIEISA-N 1 2 209.293 0.778 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CC[C@H](C)O)CC2 ZINC000644929336 386626058 /nfs/dbraw/zinc/62/60/58/386626058.db2.gz XWWKIPPVYFNMNF-JTQLQIEISA-N 1 2 209.293 0.778 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CCn1ccccc1=O ZINC000644938599 386626185 /nfs/dbraw/zinc/62/61/85/386626185.db2.gz WZSAWVLXPGSWPR-CYBMUJFWSA-N 1 2 249.358 0.874 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CCn1ccccc1=O ZINC000644938599 386626189 /nfs/dbraw/zinc/62/61/89/386626189.db2.gz WZSAWVLXPGSWPR-CYBMUJFWSA-N 1 2 249.358 0.874 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CCn1ccccc1=O ZINC000644938600 386626880 /nfs/dbraw/zinc/62/68/80/386626880.db2.gz WZSAWVLXPGSWPR-ZDUSSCGKSA-N 1 2 249.358 0.874 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CCn1ccccc1=O ZINC000644938600 386626884 /nfs/dbraw/zinc/62/68/84/386626884.db2.gz WZSAWVLXPGSWPR-ZDUSSCGKSA-N 1 2 249.358 0.874 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc[nH]c2)CCO1 ZINC000520249132 386627799 /nfs/dbraw/zinc/62/77/99/386627799.db2.gz ROGOGRDWOMKKLY-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc[nH]c2)CCO1 ZINC000520249132 386627804 /nfs/dbraw/zinc/62/78/04/386627804.db2.gz ROGOGRDWOMKKLY-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H](O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000644931373 386629561 /nfs/dbraw/zinc/62/95/61/386629561.db2.gz RIUPUIQFDOHTLD-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@H](O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000644931373 386629565 /nfs/dbraw/zinc/62/95/65/386629565.db2.gz RIUPUIQFDOHTLD-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329196064 386632400 /nfs/dbraw/zinc/63/24/00/386632400.db2.gz UOCFRJBNWBNVJU-LLVKDONJSA-N 1 2 234.303 0.525 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329196064 386632407 /nfs/dbraw/zinc/63/24/07/386632407.db2.gz UOCFRJBNWBNVJU-LLVKDONJSA-N 1 2 234.303 0.525 20 0 BCADLO O=C1CN(CCn2cc[nH+]c2)CN1CC1CC1 ZINC000279126416 386637788 /nfs/dbraw/zinc/63/77/88/386637788.db2.gz VKXYPTIIXJPWDZ-UHFFFAOYSA-N 1 2 234.303 0.395 20 0 BCADLO C[N@H+]([C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC000328880643 386640628 /nfs/dbraw/zinc/64/06/28/386640628.db2.gz KTWRKMRNTVQUCM-SFYZADRCSA-N 1 2 211.265 0.766 20 0 BCADLO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC000328880643 386640632 /nfs/dbraw/zinc/64/06/32/386640632.db2.gz KTWRKMRNTVQUCM-SFYZADRCSA-N 1 2 211.265 0.766 20 0 BCADLO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC000328880641 386641388 /nfs/dbraw/zinc/64/13/88/386641388.db2.gz KTWRKMRNTVQUCM-JGVFFNPUSA-N 1 2 211.265 0.766 20 0 BCADLO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC000328880641 386641391 /nfs/dbraw/zinc/64/13/91/386641391.db2.gz KTWRKMRNTVQUCM-JGVFFNPUSA-N 1 2 211.265 0.766 20 0 BCADLO CC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000292297363 386646403 /nfs/dbraw/zinc/64/64/03/386646403.db2.gz SBXHAEFWQZIWBP-MRVPVSSYSA-N 1 2 211.265 0.873 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1=O ZINC000337201077 386647533 /nfs/dbraw/zinc/64/75/33/386647533.db2.gz FPPZBXOAVPFWRT-WDEREUQCSA-N 1 2 228.336 0.556 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1=O ZINC000337201077 386647539 /nfs/dbraw/zinc/64/75/39/386647539.db2.gz FPPZBXOAVPFWRT-WDEREUQCSA-N 1 2 228.336 0.556 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1=O ZINC000337201076 386648196 /nfs/dbraw/zinc/64/81/96/386648196.db2.gz FPPZBXOAVPFWRT-QWRGUYRKSA-N 1 2 228.336 0.556 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1=O ZINC000337201076 386648199 /nfs/dbraw/zinc/64/81/99/386648199.db2.gz FPPZBXOAVPFWRT-QWRGUYRKSA-N 1 2 228.336 0.556 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292317844 386649008 /nfs/dbraw/zinc/64/90/08/386649008.db2.gz BFYGXCAWGNORMH-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292317844 386649013 /nfs/dbraw/zinc/64/90/13/386649013.db2.gz BFYGXCAWGNORMH-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO CC[C@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000292316337 386650703 /nfs/dbraw/zinc/65/07/03/386650703.db2.gz ONNAUKLFQDOPLB-QMMMGPOBSA-N 1 2 248.290 0.427 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000328904810 386651190 /nfs/dbraw/zinc/65/11/90/386651190.db2.gz JNXFBYLTFCPJTD-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000328904810 386651193 /nfs/dbraw/zinc/65/11/93/386651193.db2.gz JNXFBYLTFCPJTD-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cn[nH]c1 ZINC000337204307 386651718 /nfs/dbraw/zinc/65/17/18/386651718.db2.gz ITUCLHMOISGGCA-ZETCQYMHSA-N 1 2 236.279 0.710 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCN1CCNC1=O ZINC000328638711 386602539 /nfs/dbraw/zinc/60/25/39/386602539.db2.gz DJMJSNRXFIZFOZ-VIFPVBQESA-N 1 2 240.307 0.267 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCN1CCNC1=O ZINC000328638711 386602544 /nfs/dbraw/zinc/60/25/44/386602544.db2.gz DJMJSNRXFIZFOZ-VIFPVBQESA-N 1 2 240.307 0.267 20 0 BCADLO COC1(C)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000328647441 386604727 /nfs/dbraw/zinc/60/47/27/386604727.db2.gz HWOJPZKFOODGKO-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO [NH3+][C@@H](C(=O)N1CCSCC1)c1cscn1 ZINC000335488418 386604745 /nfs/dbraw/zinc/60/47/45/386604745.db2.gz ZPUNFMVVWGJMEL-MRVPVSSYSA-N 1 2 243.357 0.718 20 0 BCADLO C[N@H+](CCO)CC(=O)Nc1ccc(Cl)cn1 ZINC000267984207 386606427 /nfs/dbraw/zinc/60/64/27/386606427.db2.gz XBRSLSCHLOGFGQ-UHFFFAOYSA-N 1 2 243.694 0.598 20 0 BCADLO C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cn1 ZINC000267984207 386606430 /nfs/dbraw/zinc/60/64/30/386606430.db2.gz XBRSLSCHLOGFGQ-UHFFFAOYSA-N 1 2 243.694 0.598 20 0 BCADLO CN(CCN1CCNC1=O)Cc1[nH+]ccn1C ZINC000328680908 386609580 /nfs/dbraw/zinc/60/95/80/386609580.db2.gz UWNYQLJNFROPNV-UHFFFAOYSA-N 1 2 237.307 0.082 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCN1CCNC1=O ZINC000328680908 386609585 /nfs/dbraw/zinc/60/95/85/386609585.db2.gz UWNYQLJNFROPNV-UHFFFAOYSA-N 1 2 237.307 0.082 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCN1CCNC1=O ZINC000328680908 386609590 /nfs/dbraw/zinc/60/95/90/386609590.db2.gz UWNYQLJNFROPNV-UHFFFAOYSA-N 1 2 237.307 0.082 20 0 BCADLO CCC(O)(CC)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000278961020 386611988 /nfs/dbraw/zinc/61/19/88/386611988.db2.gz WRCDNUXHAUXGTC-UHFFFAOYSA-N 1 2 239.319 0.928 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCC(=O)C2)CC1 ZINC000335494243 386613671 /nfs/dbraw/zinc/61/36/71/386613671.db2.gz LXZJUKSRSWKKSG-SECBINFHSA-N 1 2 210.277 0.130 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(CF)C1 ZINC000335494155 386614221 /nfs/dbraw/zinc/61/42/21/386614221.db2.gz IRIRZKPRMBFKBJ-JTQLQIEISA-N 1 2 230.283 0.135 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(CF)C1 ZINC000335494155 386614222 /nfs/dbraw/zinc/61/42/22/386614222.db2.gz IRIRZKPRMBFKBJ-JTQLQIEISA-N 1 2 230.283 0.135 20 0 BCADLO O=C1C[C@@]2(CCN(c3cccc[nH+]3)C2)CN1 ZINC000278978475 386615343 /nfs/dbraw/zinc/61/53/43/386615343.db2.gz CUDLYWCKYNAJQF-LBPRGKRZSA-N 1 2 217.272 0.798 20 0 BCADLO COC[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000279285685 386659145 /nfs/dbraw/zinc/65/91/45/386659145.db2.gz XIORGYYYXJXUEN-QMMMGPOBSA-N 1 2 225.292 0.754 20 0 BCADLO C[C@H](C(=O)N(C)C(C)(C)C)[NH+]1CCOCC1 ZINC000335522251 386664785 /nfs/dbraw/zinc/66/47/85/386664785.db2.gz SRNOLTWYNVXLKE-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CN1CC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000329394812 386665008 /nfs/dbraw/zinc/66/50/08/386665008.db2.gz WTPHKRGPNZRXGY-UHFFFAOYSA-N 1 2 248.286 0.613 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000279384867 386673162 /nfs/dbraw/zinc/67/31/62/386673162.db2.gz JROVSVQMOARYPE-LBPRGKRZSA-N 1 2 234.303 0.430 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000279384867 386673166 /nfs/dbraw/zinc/67/31/66/386673166.db2.gz JROVSVQMOARYPE-LBPRGKRZSA-N 1 2 234.303 0.430 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000268655668 386674247 /nfs/dbraw/zinc/67/42/47/386674247.db2.gz XEIWKRIHKAVUKV-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH+]cn1C ZINC000330363501 386675368 /nfs/dbraw/zinc/67/53/68/386675368.db2.gz IEZHFHRVOGXBRM-VIFPVBQESA-N 1 2 245.348 0.285 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCO[C@H](CO)C1 ZINC000330364827 386676597 /nfs/dbraw/zinc/67/65/97/386676597.db2.gz YELJKFIHVIUZAA-NSHDSACASA-N 1 2 240.303 0.527 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCO[C@H](CO)C1 ZINC000330364827 386676600 /nfs/dbraw/zinc/67/66/00/386676600.db2.gz YELJKFIHVIUZAA-NSHDSACASA-N 1 2 240.303 0.527 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(=O)N(C)C1 ZINC000329465405 386677770 /nfs/dbraw/zinc/67/77/70/386677770.db2.gz VBVAHRPPQAPNOA-UHFFFAOYSA-N 1 2 234.259 0.075 20 0 BCADLO Cc1[nH]c(C(=O)N[C@]2(C)CCOC2=O)c[nH+]1 ZINC000292475112 386678201 /nfs/dbraw/zinc/67/82/01/386678201.db2.gz MZOJRZVFHNDUNI-SNVBAGLBSA-N 1 2 223.232 0.154 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCOCC2(CC2)C1 ZINC000329479914 386680268 /nfs/dbraw/zinc/68/02/68/386680268.db2.gz CTQGDWZPRZOMPZ-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335532068 386683854 /nfs/dbraw/zinc/68/38/54/386683854.db2.gz VSJOGUAJAJVKHI-ZJUUUORDSA-N 1 2 235.287 0.793 20 0 BCADLO Cn1cc[nH+]c1CN(CCO)Cc1cccnc1 ZINC000268718095 386685770 /nfs/dbraw/zinc/68/57/70/386685770.db2.gz VCDBRVZIFUPMPW-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CCOC1 ZINC000414482111 386690279 /nfs/dbraw/zinc/69/02/79/386690279.db2.gz CTOFMTUYHAZPQU-ZJUUUORDSA-N 1 2 213.277 0.707 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(=O)[nH]c1 ZINC000279502473 386691600 /nfs/dbraw/zinc/69/16/00/386691600.db2.gz SSNGJYRIYBCTMF-UHFFFAOYSA-N 1 2 246.270 0.678 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(=O)[nH]c1 ZINC000279502473 386691606 /nfs/dbraw/zinc/69/16/06/386691606.db2.gz SSNGJYRIYBCTMF-UHFFFAOYSA-N 1 2 246.270 0.678 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)C1CC(O)C1 ZINC000329509067 386692208 /nfs/dbraw/zinc/69/22/08/386692208.db2.gz JOFRJQZKGFDKDK-UHFFFAOYSA-N 1 2 236.319 0.570 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)C1CC(O)C1 ZINC000329509067 386692215 /nfs/dbraw/zinc/69/22/15/386692215.db2.gz JOFRJQZKGFDKDK-UHFFFAOYSA-N 1 2 236.319 0.570 20 0 BCADLO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C(=O)OC ZINC000192859591 386693307 /nfs/dbraw/zinc/69/33/07/386693307.db2.gz YOSBOCMSBOMWPR-MRVPVSSYSA-N 1 2 230.308 0.300 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC=CCC2)C1 ZINC000335473530 386693325 /nfs/dbraw/zinc/69/33/25/386693325.db2.gz BUZZNCHEUCTXNJ-WCQYABFASA-N 1 2 238.331 0.932 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC=CCC2)C1 ZINC000335473530 386693330 /nfs/dbraw/zinc/69/33/30/386693330.db2.gz BUZZNCHEUCTXNJ-WCQYABFASA-N 1 2 238.331 0.932 20 0 BCADLO COC[C@H](C)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414483262 386694996 /nfs/dbraw/zinc/69/49/96/386694996.db2.gz FCJAEWDGWDGVFM-WCBMZHEXSA-N 1 2 215.293 0.953 20 0 BCADLO O=C1NC2(CC2)C(=O)N1[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329537832 386699110 /nfs/dbraw/zinc/69/91/10/386699110.db2.gz BTDRJAXTHYLTKR-SSDOTTSWSA-N 1 2 246.270 0.556 20 0 BCADLO O=C1NC2(CC2)C(=O)N1[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329537832 386699113 /nfs/dbraw/zinc/69/91/13/386699113.db2.gz BTDRJAXTHYLTKR-SSDOTTSWSA-N 1 2 246.270 0.556 20 0 BCADLO O=c1ccc(C[N@@H+]2CCO[C@H](CF)C2)c[nH]1 ZINC000639260797 386712009 /nfs/dbraw/zinc/71/20/09/386712009.db2.gz GFZSHBGIJHGPRP-SNVBAGLBSA-N 1 2 226.251 0.958 20 0 BCADLO O=c1ccc(C[N@H+]2CCO[C@H](CF)C2)c[nH]1 ZINC000639260797 386712018 /nfs/dbraw/zinc/71/20/18/386712018.db2.gz GFZSHBGIJHGPRP-SNVBAGLBSA-N 1 2 226.251 0.958 20 0 BCADLO Cc1noc(C[N@H+](C)CCc2cnccn2)n1 ZINC000357044066 386700656 /nfs/dbraw/zinc/70/06/56/386700656.db2.gz URSPAUCUOLDWEN-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO Cc1noc(C[N@@H+](C)CCc2cnccn2)n1 ZINC000357044066 386700662 /nfs/dbraw/zinc/70/06/62/386700662.db2.gz URSPAUCUOLDWEN-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCCSC1)[C@@H](C)O ZINC000191962033 386731720 /nfs/dbraw/zinc/73/17/20/386731720.db2.gz ZBUMXOXMPWPSBS-IWSPIJDZSA-N 1 2 233.333 0.394 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NC(C)C ZINC000186351201 386731782 /nfs/dbraw/zinc/73/17/82/386731782.db2.gz NHXCYXDAKALXTF-GFCCVEGCSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NC(C)C ZINC000186351201 386731791 /nfs/dbraw/zinc/73/17/91/386731791.db2.gz NHXCYXDAKALXTF-GFCCVEGCSA-N 1 2 242.319 0.539 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N[C@@H](C2CC2)C1=O ZINC000329625609 386734387 /nfs/dbraw/zinc/73/43/87/386734387.db2.gz SWHYZGRVNZDXFT-VIFPVBQESA-N 1 2 234.259 0.455 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)CCN1CCO ZINC000526984633 386717851 /nfs/dbraw/zinc/71/78/51/386717851.db2.gz RLOZMAOFZQHYGU-SNVBAGLBSA-N 1 2 216.300 0.487 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)CCN1CCO ZINC000526984633 386717855 /nfs/dbraw/zinc/71/78/55/386717855.db2.gz RLOZMAOFZQHYGU-SNVBAGLBSA-N 1 2 216.300 0.487 20 0 BCADLO CC[C@@H](O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000645099740 386718031 /nfs/dbraw/zinc/71/80/31/386718031.db2.gz SJSPBELPRMTLAR-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO C[C@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330463117 386721752 /nfs/dbraw/zinc/72/17/52/386721752.db2.gz TXPVLVTZRCDENC-SSDOTTSWSA-N 1 2 211.265 0.184 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000088619505 386769597 /nfs/dbraw/zinc/76/95/97/386769597.db2.gz MDSZIUNJPANCHK-NSHDSACASA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000088619505 386769603 /nfs/dbraw/zinc/76/96/03/386769603.db2.gz MDSZIUNJPANCHK-NSHDSACASA-N 1 2 238.335 0.892 20 0 BCADLO Cc1oncc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334155876 386754732 /nfs/dbraw/zinc/75/47/32/386754732.db2.gz WRNBADLKRVLGCT-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1oncc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334155876 386754735 /nfs/dbraw/zinc/75/47/35/386754735.db2.gz WRNBADLKRVLGCT-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1oncc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334155877 386755995 /nfs/dbraw/zinc/75/59/95/386755995.db2.gz WRNBADLKRVLGCT-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO Cc1oncc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334155877 386755999 /nfs/dbraw/zinc/75/59/99/386755999.db2.gz WRNBADLKRVLGCT-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccc(CO)n1 ZINC000357327888 386761902 /nfs/dbraw/zinc/76/19/02/386761902.db2.gz VHBVDYZXPILKCT-VIFPVBQESA-N 1 2 233.275 0.666 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC(=O)N(C)CC ZINC000330553729 386765638 /nfs/dbraw/zinc/76/56/38/386765638.db2.gz FVGMYZAMQSDHTM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC(=O)N(C)CC ZINC000330553729 386765642 /nfs/dbraw/zinc/76/56/42/386765642.db2.gz FVGMYZAMQSDHTM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1nc(C(=O)NCc2[nH+]ccn2C)c(C)o1 ZINC000293047251 386770111 /nfs/dbraw/zinc/77/01/11/386770111.db2.gz KITHZCULZHYIBU-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340873139 386796731 /nfs/dbraw/zinc/79/67/31/386796731.db2.gz FICGOWUTKYUTBD-GFCCVEGCSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340873139 386796738 /nfs/dbraw/zinc/79/67/38/386796738.db2.gz FICGOWUTKYUTBD-GFCCVEGCSA-N 1 2 228.336 0.966 20 0 BCADLO CO[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280231680 386791339 /nfs/dbraw/zinc/79/13/39/386791339.db2.gz JTGMCQXCYBCTMC-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO Nc1c(NCCF)[nH+]cnc1-n1cccn1 ZINC000336668564 386791402 /nfs/dbraw/zinc/79/14/02/386791402.db2.gz MOCDOWNCLRRLGJ-UHFFFAOYSA-N 1 2 222.227 0.626 20 0 BCADLO C[C@H](CNc1ncc(F)cn1)[NH+]1CCOCC1 ZINC000269458805 386794959 /nfs/dbraw/zinc/79/49/59/386794959.db2.gz GKBQVOVSYSOBJW-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO CC(C)(C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000191181446 386770932 /nfs/dbraw/zinc/77/09/32/386770932.db2.gz NTCSBEKSCUYFCC-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](O)C2)nn1 ZINC000191164041 386771314 /nfs/dbraw/zinc/77/13/14/386771314.db2.gz SIQANOONJUDCNO-NSHDSACASA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](O)C2)nn1 ZINC000191164041 386771317 /nfs/dbraw/zinc/77/13/17/386771317.db2.gz SIQANOONJUDCNO-NSHDSACASA-N 1 2 238.335 0.990 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)[C@@H]1CO ZINC000191182554 386772253 /nfs/dbraw/zinc/77/22/53/386772253.db2.gz HSYQPLRZBADJQG-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)[C@@H]1CO ZINC000191182554 386772260 /nfs/dbraw/zinc/77/22/60/386772260.db2.gz HSYQPLRZBADJQG-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000330927186 386775956 /nfs/dbraw/zinc/77/59/56/386775956.db2.gz JVAREAWJQMXJKE-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000330927186 386775962 /nfs/dbraw/zinc/77/59/62/386775962.db2.gz JVAREAWJQMXJKE-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1cocn1 ZINC000639397330 386796609 /nfs/dbraw/zinc/79/66/09/386796609.db2.gz JVQMTFBBXBXQJM-VIFPVBQESA-N 1 2 214.290 0.584 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)C(C)C ZINC000336667424 386783626 /nfs/dbraw/zinc/78/36/26/386783626.db2.gz WKLWESDHQZEEBE-QMMMGPOBSA-N 1 2 203.282 0.545 20 0 BCADLO CCC[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269381891 386784744 /nfs/dbraw/zinc/78/47/44/386784744.db2.gz VLOXFZPNBOPCRZ-MRVPVSSYSA-N 1 2 211.265 0.609 20 0 BCADLO COc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000344823281 386784887 /nfs/dbraw/zinc/78/48/87/386784887.db2.gz HUZJQTLWYPZUOV-ONGXEEELSA-N 1 2 240.278 0.995 20 0 BCADLO COc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000344823281 386784892 /nfs/dbraw/zinc/78/48/92/386784892.db2.gz HUZJQTLWYPZUOV-ONGXEEELSA-N 1 2 240.278 0.995 20 0 BCADLO COC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000330610150 386786191 /nfs/dbraw/zinc/78/61/91/386786191.db2.gz TWSGNOPNJVIFJQ-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nnnn1C(C)(C)C ZINC000330609036 386787922 /nfs/dbraw/zinc/78/79/22/386787922.db2.gz LQMHPADYWNHCOV-UHFFFAOYSA-N 1 2 240.311 0.785 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nnnn1C(C)(C)C ZINC000330609036 386787927 /nfs/dbraw/zinc/78/79/27/386787927.db2.gz LQMHPADYWNHCOV-UHFFFAOYSA-N 1 2 240.311 0.785 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1cocn1 ZINC000639397330 386796612 /nfs/dbraw/zinc/79/66/12/386796612.db2.gz JVQMTFBBXBXQJM-VIFPVBQESA-N 1 2 214.290 0.584 20 0 BCADLO CC(C)n1cc(C(=O)NCc2[nH+]ccn2C)nn1 ZINC000339911075 386789169 /nfs/dbraw/zinc/78/91/69/386789169.db2.gz BXETYMMLQWBBTK-UHFFFAOYSA-N 1 2 248.290 0.523 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N=C1C=CNCC1=O ZINC000339940551 386818421 /nfs/dbraw/zinc/81/84/21/386818421.db2.gz WFHAYKVKUDJMJW-UHFFFAOYSA-N 1 2 232.243 0.504 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340972303 386818528 /nfs/dbraw/zinc/81/85/28/386818528.db2.gz LLZLEKAJEFVRJG-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340972303 386818534 /nfs/dbraw/zinc/81/85/34/386818534.db2.gz LLZLEKAJEFVRJG-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000645499306 386818821 /nfs/dbraw/zinc/81/88/21/386818821.db2.gz RQYKNUVYBRUEPG-ZXFLCMHBSA-N 1 2 225.317 0.915 20 0 BCADLO C[C@@H](Nc1cc[nH+]c2ccncc12)C(=O)N(C)C ZINC000357648577 386819671 /nfs/dbraw/zinc/81/96/71/386819671.db2.gz DRTTUPHAYSZNTG-SECBINFHSA-N 1 2 244.298 0.940 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnn1C(C)C ZINC000280555633 386820706 /nfs/dbraw/zinc/82/07/06/386820706.db2.gz KMGPWGRSKWHORJ-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnn1C(C)C ZINC000280555633 386820710 /nfs/dbraw/zinc/82/07/10/386820710.db2.gz KMGPWGRSKWHORJ-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO C[C@H]1OCC[C@@]12CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000280309118 386799902 /nfs/dbraw/zinc/79/99/02/386799902.db2.gz FZDLGLYIEZPNLB-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330593569 386805222 /nfs/dbraw/zinc/80/52/22/386805222.db2.gz AOCUHGUSWCUHNH-IVZWLZJFSA-N 1 2 245.319 0.408 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330593569 386805229 /nfs/dbraw/zinc/80/52/29/386805229.db2.gz AOCUHGUSWCUHNH-IVZWLZJFSA-N 1 2 245.319 0.408 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330593570 386805464 /nfs/dbraw/zinc/80/54/64/386805464.db2.gz AOCUHGUSWCUHNH-OPRDCNLKSA-N 1 2 245.319 0.408 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330593570 386805468 /nfs/dbraw/zinc/80/54/68/386805468.db2.gz AOCUHGUSWCUHNH-OPRDCNLKSA-N 1 2 245.319 0.408 20 0 BCADLO C[C@@H](C(=O)NC1CC1)N1CCn2c[nH+]cc2C1 ZINC000647939171 386807132 /nfs/dbraw/zinc/80/71/32/386807132.db2.gz DJCQOCIVZLKTJX-VIFPVBQESA-N 1 2 234.303 0.366 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)c1 ZINC000329823610 386808258 /nfs/dbraw/zinc/80/82/58/386808258.db2.gz HQJJVTBEBMVMQB-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)c1 ZINC000329823610 386808264 /nfs/dbraw/zinc/80/82/64/386808264.db2.gz HQJJVTBEBMVMQB-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO COCC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113260793 386811680 /nfs/dbraw/zinc/81/16/80/386811680.db2.gz HMUXNJGCUNIHKL-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO COCC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113260793 386811681 /nfs/dbraw/zinc/81/16/81/386811681.db2.gz HMUXNJGCUNIHKL-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000280445809 386815233 /nfs/dbraw/zinc/81/52/33/386815233.db2.gz KWPJIRDCGIIKTJ-SNVBAGLBSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000280445809 386815238 /nfs/dbraw/zinc/81/52/38/386815238.db2.gz KWPJIRDCGIIKTJ-SNVBAGLBSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280660530 386830661 /nfs/dbraw/zinc/83/06/61/386830661.db2.gz AJVOCEGYEOKGNX-MWLCHTKSSA-N 1 2 238.335 0.938 20 0 BCADLO COCc1nsc(NC[C@H](C)C[NH+](C)C)n1 ZINC000336673640 386834371 /nfs/dbraw/zinc/83/43/71/386834371.db2.gz HXQQHMAHKJCPKR-QMMMGPOBSA-N 1 2 244.364 0.716 20 0 BCADLO CON(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280717090 386839921 /nfs/dbraw/zinc/83/99/21/386839921.db2.gz HFFQSFXQEUZYOI-SECBINFHSA-N 1 2 226.280 0.043 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000334784378 386842817 /nfs/dbraw/zinc/84/28/17/386842817.db2.gz KLEKOSWLIILUTI-WPRPVWTQSA-N 1 2 212.293 0.232 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000334784378 386842823 /nfs/dbraw/zinc/84/28/23/386842823.db2.gz KLEKOSWLIILUTI-WPRPVWTQSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134791 386846150 /nfs/dbraw/zinc/84/61/50/386846150.db2.gz YETQOLBDGGOQJT-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134791 386846156 /nfs/dbraw/zinc/84/61/56/386846156.db2.gz YETQOLBDGGOQJT-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO CCOC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000323915731 386853651 /nfs/dbraw/zinc/85/36/51/386853651.db2.gz MIBJOIROQMABEO-ZJUUUORDSA-N 1 2 227.304 0.906 20 0 BCADLO CCOC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000323915731 386853659 /nfs/dbraw/zinc/85/36/59/386853659.db2.gz MIBJOIROQMABEO-ZJUUUORDSA-N 1 2 227.304 0.906 20 0 BCADLO CN(C)c1[nH+]cc(CN(C)[C@@H]2CCOC2)n1C ZINC000425336567 386851546 /nfs/dbraw/zinc/85/15/46/386851546.db2.gz LVYPAZADDCOCOA-SNVBAGLBSA-N 1 2 238.335 0.707 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CSC)C1CC1 ZINC000336745086 386893579 /nfs/dbraw/zinc/89/35/79/386893579.db2.gz AEVVLCVQZMPSFG-BDAKNGLRSA-N 1 2 233.333 0.252 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C=O)c[nH]1 ZINC000293667156 386857254 /nfs/dbraw/zinc/85/72/54/386857254.db2.gz ZFFXOXSFADSCMR-SECBINFHSA-N 1 2 246.270 0.842 20 0 BCADLO C[C@](O)(CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331492071 386861040 /nfs/dbraw/zinc/86/10/40/386861040.db2.gz POEICZYZLPLSRJ-NSHDSACASA-N 1 2 223.276 0.577 20 0 BCADLO C[C@](O)(CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331492071 386861045 /nfs/dbraw/zinc/86/10/45/386861045.db2.gz POEICZYZLPLSRJ-NSHDSACASA-N 1 2 223.276 0.577 20 0 BCADLO CO[C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000331502496 386862577 /nfs/dbraw/zinc/86/25/77/386862577.db2.gz RBUYRQLIBNSMHG-JTQLQIEISA-N 1 2 223.276 0.493 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(O)CCC2)c[nH+]1 ZINC000334832711 386870188 /nfs/dbraw/zinc/87/01/88/386870188.db2.gz BBUQYMVINACQRL-UHFFFAOYSA-N 1 2 209.249 0.363 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000357949437 386870580 /nfs/dbraw/zinc/87/05/80/386870580.db2.gz AWTABNWHQRRTIV-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000357949437 386870584 /nfs/dbraw/zinc/87/05/84/386870584.db2.gz AWTABNWHQRRTIV-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO COCCn1cc(C[N@H+](C)CCF)cn1 ZINC000293749452 386871883 /nfs/dbraw/zinc/87/18/83/386871883.db2.gz WRFYZVDLJFMEBR-UHFFFAOYSA-N 1 2 215.272 0.931 20 0 BCADLO COCCn1cc(C[N@@H+](C)CCF)cn1 ZINC000293749452 386871887 /nfs/dbraw/zinc/87/18/87/386871887.db2.gz WRFYZVDLJFMEBR-UHFFFAOYSA-N 1 2 215.272 0.931 20 0 BCADLO C[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000341267917 386872202 /nfs/dbraw/zinc/87/22/02/386872202.db2.gz BJMCCWVUSFOAPT-YUMQZZPRSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@H](O)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000341267917 386872207 /nfs/dbraw/zinc/87/22/07/386872207.db2.gz BJMCCWVUSFOAPT-YUMQZZPRSA-N 1 2 223.276 0.327 20 0 BCADLO CC(C)n1c[nH+]cc1CN(C)[C@H]1CCNC1=O ZINC000425342588 386875756 /nfs/dbraw/zinc/87/57/56/386875756.db2.gz ZLPOLQOIFQLBLJ-NSHDSACASA-N 1 2 236.319 0.784 20 0 BCADLO Cc1occc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000334836349 386878271 /nfs/dbraw/zinc/87/82/71/386878271.db2.gz MVBOGXAFKGLYAQ-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1occc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000334836349 386878275 /nfs/dbraw/zinc/87/82/75/386878275.db2.gz MVBOGXAFKGLYAQ-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO C[C@H](C(N)=O)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330762257 386879316 /nfs/dbraw/zinc/87/93/16/386879316.db2.gz OLLSSFGZJAXJNE-MRVPVSSYSA-N 1 2 237.307 0.898 20 0 BCADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330762257 386879318 /nfs/dbraw/zinc/87/93/18/386879318.db2.gz OLLSSFGZJAXJNE-MRVPVSSYSA-N 1 2 237.307 0.898 20 0 BCADLO CC[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000330754697 386879351 /nfs/dbraw/zinc/87/93/51/386879351.db2.gz FPRBWTJSBVSRRD-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO CCOC[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000330771843 386881396 /nfs/dbraw/zinc/88/13/96/386881396.db2.gz CRTSYFMQQADSSV-SNVBAGLBSA-N 1 2 239.323 0.459 20 0 BCADLO CCOC[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000330771843 386881400 /nfs/dbraw/zinc/88/14/00/386881400.db2.gz CRTSYFMQQADSSV-SNVBAGLBSA-N 1 2 239.323 0.459 20 0 BCADLO CO[C@](C)(C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331691872 386881964 /nfs/dbraw/zinc/88/19/64/386881964.db2.gz SUIZEHRWMRYNMY-NSHDSACASA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@](C)(C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331691872 386881970 /nfs/dbraw/zinc/88/19/70/386881970.db2.gz SUIZEHRWMRYNMY-NSHDSACASA-N 1 2 223.276 0.841 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncc(C)n1C ZINC000341335122 386883191 /nfs/dbraw/zinc/88/31/91/386883191.db2.gz MZVBLLXRTBFAJU-SNVBAGLBSA-N 1 2 238.335 0.685 20 0 BCADLO CCN(C)C(=O)[C@@H](C)NCc1[nH+]cc(C)n1C ZINC000341335122 386883195 /nfs/dbraw/zinc/88/31/95/386883195.db2.gz MZVBLLXRTBFAJU-SNVBAGLBSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH]n1 ZINC000330304244 386884373 /nfs/dbraw/zinc/88/43/73/386884373.db2.gz KFUILSKPHVBKES-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO Cn1ccnc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330794627 386890325 /nfs/dbraw/zinc/89/03/25/386890325.db2.gz DIFQIFRLIAQCJQ-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO Cn1ccnc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000330794627 386890328 /nfs/dbraw/zinc/89/03/28/386890328.db2.gz DIFQIFRLIAQCJQ-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000330901718 386918540 /nfs/dbraw/zinc/91/85/40/386918540.db2.gz RTLZSEQIQZDOSJ-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO Cc1cnc(C(=O)N2CCn3cc[nH+]c3C2)o1 ZINC000331861241 386918778 /nfs/dbraw/zinc/91/87/78/386918778.db2.gz QMZMSWAZKRHYPN-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000331766965 386897080 /nfs/dbraw/zinc/89/70/80/386897080.db2.gz KPCALKRKWSNIOL-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000331766965 386897087 /nfs/dbraw/zinc/89/70/87/386897087.db2.gz KPCALKRKWSNIOL-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CCOCCOCC(=O)NCc1[nH]cc[nH+]1 ZINC000358126187 386897217 /nfs/dbraw/zinc/89/72/17/386897217.db2.gz LLBGEMFABZYZJX-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO Cc1c[nH+]c([C@@H]2NC(=O)[C@@H]3C[C@@H](C)CCN23)n1C ZINC000341382057 386897855 /nfs/dbraw/zinc/89/78/55/386897855.db2.gz CXWWDIGSBFLJHO-PTOFAABTSA-N 1 2 248.330 0.957 20 0 BCADLO Cc1c[nH+]c([C@@H]2NC(=O)[C@@H]3C[C@H](C)CCN23)n1C ZINC000341382081 386898932 /nfs/dbraw/zinc/89/89/32/386898932.db2.gz CXWWDIGSBFLJHO-UBHAPETDSA-N 1 2 248.330 0.957 20 0 BCADLO CN(C)c1noc(CN2CCn3cc[nH+]c3C2)n1 ZINC000331800238 386907749 /nfs/dbraw/zinc/90/77/49/386907749.db2.gz BJVWTIGQZBDLEA-UHFFFAOYSA-N 1 2 248.290 0.348 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1cnns1)C[C@H](C)O ZINC000330874768 386909144 /nfs/dbraw/zinc/90/91/44/386909144.db2.gz VXQPTDSYPDHXIG-SFYZADRCSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](CO)[N@H+](Cc1cnns1)C[C@H](C)O ZINC000330874768 386909146 /nfs/dbraw/zinc/90/91/46/386909146.db2.gz VXQPTDSYPDHXIG-SFYZADRCSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](C(=O)NC1CC(C)(F)C1)[NH+]1CCOCC1 ZINC000334861033 386913042 /nfs/dbraw/zinc/91/30/42/386913042.db2.gz AMLASSUIHIKOOU-BMQDGWLCSA-N 1 2 244.310 0.714 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000334819213 386946913 /nfs/dbraw/zinc/94/69/13/386946913.db2.gz SEYYLEAUPVKZHR-SECBINFHSA-N 1 2 202.273 0.897 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000334819213 386946917 /nfs/dbraw/zinc/94/69/17/386946917.db2.gz SEYYLEAUPVKZHR-SECBINFHSA-N 1 2 202.273 0.897 20 0 BCADLO C[C@@]1(C(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000330899848 386922451 /nfs/dbraw/zinc/92/24/51/386922451.db2.gz QGCVGWYZFUITLF-LLVKDONJSA-N 1 2 236.275 0.657 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000367966615 386923735 /nfs/dbraw/zinc/92/37/35/386923735.db2.gz PAFMQJLTIGMMSQ-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000367966615 386923740 /nfs/dbraw/zinc/92/37/40/386923740.db2.gz PAFMQJLTIGMMSQ-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000367966615 386923744 /nfs/dbraw/zinc/92/37/44/386923744.db2.gz PAFMQJLTIGMMSQ-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000367966615 386923748 /nfs/dbraw/zinc/92/37/48/386923748.db2.gz PAFMQJLTIGMMSQ-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO CC[C@](C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330941315 386925780 /nfs/dbraw/zinc/92/57/80/386925780.db2.gz CZJQFXKDLFVGMV-LBPRGKRZSA-N 1 2 239.319 0.965 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCc1[nH]cc[nH+]1 ZINC000330959507 386929659 /nfs/dbraw/zinc/92/96/59/386929659.db2.gz ACCYBOHCAHJFLW-UHFFFAOYSA-N 1 2 225.292 0.572 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341604049 386931057 /nfs/dbraw/zinc/93/10/57/386931057.db2.gz JPGHKEOGAGRZPW-OPRDCNLKSA-N 1 2 245.298 0.069 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341604049 386931063 /nfs/dbraw/zinc/93/10/63/386931063.db2.gz JPGHKEOGAGRZPW-OPRDCNLKSA-N 1 2 245.298 0.069 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1nnc[nH]1 ZINC000330970623 386931578 /nfs/dbraw/zinc/93/15/78/386931578.db2.gz RURANRCTORZYLU-VIFPVBQESA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1nnc[nH]1 ZINC000330970623 386931584 /nfs/dbraw/zinc/93/15/84/386931584.db2.gz RURANRCTORZYLU-VIFPVBQESA-N 1 2 210.281 0.806 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000335834029 386933722 /nfs/dbraw/zinc/93/37/22/386933722.db2.gz IZINAFAMRYSNAP-ZBEGNZNMSA-N 1 2 241.360 0.644 20 0 BCADLO Cc1cnn(CC[N@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000335834029 386933723 /nfs/dbraw/zinc/93/37/23/386933723.db2.gz IZINAFAMRYSNAP-ZBEGNZNMSA-N 1 2 241.360 0.644 20 0 BCADLO CN(CC(N)=O)c1nc(N)c2ccccc2[nH+]1 ZINC000302757412 386936229 /nfs/dbraw/zinc/93/62/29/386936229.db2.gz WEOXYVWBQSXIDB-UHFFFAOYSA-N 1 2 231.259 0.134 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000331989098 386936534 /nfs/dbraw/zinc/93/65/34/386936534.db2.gz YPASLFGDRXATQQ-YUMQZZPRSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331990959 386936700 /nfs/dbraw/zinc/93/67/00/386936700.db2.gz YWRBBVODFQCZIA-RKDXNWHRSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331990959 386936703 /nfs/dbraw/zinc/93/67/03/386936703.db2.gz YWRBBVODFQCZIA-RKDXNWHRSA-N 1 2 209.249 0.451 20 0 BCADLO COCCc1nsc(-n2cc[nH+]c2)n1 ZINC000302829454 386939414 /nfs/dbraw/zinc/93/94/14/386939414.db2.gz PFASWVXPRMRFIB-UHFFFAOYSA-N 1 2 210.262 0.913 20 0 BCADLO CC(=O)CCCC(=O)N1CCn2cc[nH+]c2C1 ZINC000330987118 386940244 /nfs/dbraw/zinc/94/02/44/386940244.db2.gz GLWDRCGKCBIKTM-UHFFFAOYSA-N 1 2 235.287 0.985 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000367310368 386940706 /nfs/dbraw/zinc/94/07/06/386940706.db2.gz QMBDXEFAPDAXNB-LLVKDONJSA-N 1 2 244.302 0.942 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000367310368 386940712 /nfs/dbraw/zinc/94/07/12/386940712.db2.gz QMBDXEFAPDAXNB-LLVKDONJSA-N 1 2 244.302 0.942 20 0 BCADLO COC(=O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330992182 386943227 /nfs/dbraw/zinc/94/32/27/386943227.db2.gz YRBZGVPYWIBVQA-UHFFFAOYSA-N 1 2 239.275 0.319 20 0 BCADLO CCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC000331070793 386954385 /nfs/dbraw/zinc/95/43/85/386954385.db2.gz RXXBYSMTNWNEPS-UHFFFAOYSA-N 1 2 225.292 0.194 20 0 BCADLO C[C@@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341723718 386954875 /nfs/dbraw/zinc/95/48/75/386954875.db2.gz XWEADEIEJSRWDT-VXNVDRBHSA-N 1 2 223.276 0.368 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1CO ZINC000366745268 386955721 /nfs/dbraw/zinc/95/57/21/386955721.db2.gz LKWQCUNEIREMJR-ZJUUUORDSA-N 1 2 249.314 0.813 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC(C)(C)C1)[C@H](C)O ZINC000336763372 386958062 /nfs/dbraw/zinc/95/80/62/386958062.db2.gz OUBFDKYUMYVZKV-IONNQARKSA-N 1 2 215.293 0.687 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H](C)O ZINC000336763370 386959254 /nfs/dbraw/zinc/95/92/54/386959254.db2.gz OUBFDKYUMYVZKV-APPZFPTMSA-N 1 2 215.293 0.687 20 0 BCADLO COC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000332138427 386963203 /nfs/dbraw/zinc/96/32/03/386963203.db2.gz LNMAJCJHOJZCOU-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000332138427 386963208 /nfs/dbraw/zinc/96/32/08/386963208.db2.gz LNMAJCJHOJZCOU-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)COC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368335772 386963270 /nfs/dbraw/zinc/96/32/70/386963270.db2.gz ZLPZVZTVHBRDNO-UTUOFQBUSA-N 1 2 229.320 0.493 20 0 BCADLO CC(C)COC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368335772 386963275 /nfs/dbraw/zinc/96/32/75/386963275.db2.gz ZLPZVZTVHBRDNO-UTUOFQBUSA-N 1 2 229.320 0.493 20 0 BCADLO Cc1ccncc1C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000331115644 386965558 /nfs/dbraw/zinc/96/55/58/386965558.db2.gz LSNYSUDTWINJEG-UHFFFAOYSA-N 1 2 247.302 0.444 20 0 BCADLO Cc1ccncc1C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000331115644 386965561 /nfs/dbraw/zinc/96/55/61/386965561.db2.gz LSNYSUDTWINJEG-UHFFFAOYSA-N 1 2 247.302 0.444 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000358505092 386968152 /nfs/dbraw/zinc/96/81/52/386968152.db2.gz GWUIHFAAVVZHJC-MRVPVSSYSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000358505092 386968154 /nfs/dbraw/zinc/96/81/54/386968154.db2.gz GWUIHFAAVVZHJC-MRVPVSSYSA-N 1 2 213.306 0.803 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368409449 386970092 /nfs/dbraw/zinc/97/00/92/386970092.db2.gz DTKRCJMBGLQWBS-BDAKNGLRSA-N 1 2 224.264 0.086 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368409449 386970093 /nfs/dbraw/zinc/97/00/93/386970093.db2.gz DTKRCJMBGLQWBS-BDAKNGLRSA-N 1 2 224.264 0.086 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)CO1 ZINC000332329280 386970382 /nfs/dbraw/zinc/97/03/82/386970382.db2.gz PKFIGJOLHJDDCF-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCOC1 ZINC000332346210 386970719 /nfs/dbraw/zinc/97/07/19/386970719.db2.gz UIRXWSFYINYLGH-LBPRGKRZSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2ncnn2C)CCO1 ZINC000191570286 386975062 /nfs/dbraw/zinc/97/50/62/386975062.db2.gz WYXQLTZSLGSHLG-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2ncnn2C)CCO1 ZINC000191570286 386975064 /nfs/dbraw/zinc/97/50/64/386975064.db2.gz WYXQLTZSLGSHLG-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000332395037 386975508 /nfs/dbraw/zinc/97/55/08/386975508.db2.gz SNQDPYSCSAPXSY-DTWKUNHWSA-N 1 2 223.276 0.117 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1=O ZINC000358532772 386975978 /nfs/dbraw/zinc/97/59/78/386975978.db2.gz SRQXEMCLMQUIJE-SNVBAGLBSA-N 1 2 249.314 0.459 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1=O ZINC000358532772 386975986 /nfs/dbraw/zinc/97/59/86/386975986.db2.gz SRQXEMCLMQUIJE-SNVBAGLBSA-N 1 2 249.314 0.459 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)o1 ZINC000331172491 386980782 /nfs/dbraw/zinc/98/07/82/386980782.db2.gz OJWZXUHMOOOXJF-QWRGUYRKSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cnc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)o1 ZINC000331172491 386980787 /nfs/dbraw/zinc/98/07/87/386980787.db2.gz OJWZXUHMOOOXJF-QWRGUYRKSA-N 1 2 240.303 0.955 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352989547 386983742 /nfs/dbraw/zinc/98/37/42/386983742.db2.gz SDYFNHRHBMLBFT-LPEHRKFASA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352989547 386983745 /nfs/dbraw/zinc/98/37/45/386983745.db2.gz SDYFNHRHBMLBFT-LPEHRKFASA-N 1 2 235.324 0.853 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000353000271 386986728 /nfs/dbraw/zinc/98/67/28/386986728.db2.gz LECRXJREMVRRAG-NXEZZACHSA-N 1 2 229.320 0.888 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000353000271 386986730 /nfs/dbraw/zinc/98/67/30/386986730.db2.gz LECRXJREMVRRAG-NXEZZACHSA-N 1 2 229.320 0.888 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331195574 386987126 /nfs/dbraw/zinc/98/71/26/386987126.db2.gz NHVPUXDAVVQNSL-UHFFFAOYSA-N 1 2 226.324 0.916 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331195574 386987129 /nfs/dbraw/zinc/98/71/29/386987129.db2.gz NHVPUXDAVVQNSL-UHFFFAOYSA-N 1 2 226.324 0.916 20 0 BCADLO C[C@@H](CNC(=O)c1cnc[nH]1)Cn1cc[nH+]c1 ZINC000353011797 386990096 /nfs/dbraw/zinc/99/00/96/386990096.db2.gz MTSXNHALRYPLCS-VIFPVBQESA-N 1 2 233.275 0.672 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000334916866 386991858 /nfs/dbraw/zinc/99/18/58/386991858.db2.gz BJTCQHCBNAGQHA-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000334916866 386991860 /nfs/dbraw/zinc/99/18/60/386991860.db2.gz BJTCQHCBNAGQHA-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO CCn1c[nH+]cc1CN[C@H](C(=O)OC)C1CC1 ZINC000418018864 386991936 /nfs/dbraw/zinc/99/19/36/386991936.db2.gz VXJJTPKNBNRKTF-NSHDSACASA-N 1 2 237.303 0.944 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CO[C@H](C)C1 ZINC000331267768 386992047 /nfs/dbraw/zinc/99/20/47/386992047.db2.gz RSMKDSWQKSETHW-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000368618133 386993880 /nfs/dbraw/zinc/99/38/80/386993880.db2.gz JDOJDIXRDDILMO-GFCCVEGCSA-N 1 2 246.326 0.698 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000368618133 386993884 /nfs/dbraw/zinc/99/38/84/386993884.db2.gz JDOJDIXRDDILMO-GFCCVEGCSA-N 1 2 246.326 0.698 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627343 386994488 /nfs/dbraw/zinc/99/44/88/386994488.db2.gz HNJXLTFXIMJQCW-KOLCDFICSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627343 386994492 /nfs/dbraw/zinc/99/44/92/386994492.db2.gz HNJXLTFXIMJQCW-KOLCDFICSA-N 1 2 238.335 0.988 20 0 BCADLO O=C(C[N@@H+]1CCc2ncccc2C1)N1CCC1 ZINC000368629728 386996257 /nfs/dbraw/zinc/99/62/57/386996257.db2.gz BEVQBMIIHBJUQP-UHFFFAOYSA-N 1 2 231.299 0.672 20 0 BCADLO O=C(C[N@H+]1CCc2ncccc2C1)N1CCC1 ZINC000368629728 386996262 /nfs/dbraw/zinc/99/62/62/386996262.db2.gz BEVQBMIIHBJUQP-UHFFFAOYSA-N 1 2 231.299 0.672 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000358756316 387008609 /nfs/dbraw/zinc/00/86/09/387008609.db2.gz XJSRAVMEXPPHOQ-HTRCEHHLSA-N 1 2 213.306 0.659 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000358756316 387008610 /nfs/dbraw/zinc/00/86/10/387008610.db2.gz XJSRAVMEXPPHOQ-HTRCEHHLSA-N 1 2 213.306 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332670762 386997686 /nfs/dbraw/zinc/99/76/86/386997686.db2.gz HWDCREWGBBZRGR-SSDOTTSWSA-N 1 2 237.259 0.102 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332670762 386997690 /nfs/dbraw/zinc/99/76/90/386997690.db2.gz HWDCREWGBBZRGR-SSDOTTSWSA-N 1 2 237.259 0.102 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332645056 386998518 /nfs/dbraw/zinc/99/85/18/386998518.db2.gz JVQLMQQTKBDKSF-RITPCOANSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000332645056 386998519 /nfs/dbraw/zinc/99/85/19/386998519.db2.gz JVQLMQQTKBDKSF-RITPCOANSA-N 1 2 233.218 0.962 20 0 BCADLO CCC[C@]1(CO)CCC[N@@H+]1Cc1nnn(C)n1 ZINC000332685608 387000367 /nfs/dbraw/zinc/00/03/67/387000367.db2.gz UAISIRZAWBTEOL-LLVKDONJSA-N 1 2 239.323 0.337 20 0 BCADLO CCC[C@]1(CO)CCC[N@H+]1Cc1nnn(C)n1 ZINC000332685608 387000370 /nfs/dbraw/zinc/00/03/70/387000370.db2.gz UAISIRZAWBTEOL-LLVKDONJSA-N 1 2 239.323 0.337 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CO1 ZINC000331257939 387000608 /nfs/dbraw/zinc/00/06/08/387000608.db2.gz DUMDBPIQLCPAOK-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@]2(C)CCCO)n1 ZINC000332696416 387004322 /nfs/dbraw/zinc/00/43/22/387004322.db2.gz WIHAVNUARDYWSU-NSHDSACASA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@]2(C)CCCO)n1 ZINC000332696416 387004325 /nfs/dbraw/zinc/00/43/25/387004325.db2.gz WIHAVNUARDYWSU-NSHDSACASA-N 1 2 239.323 0.337 20 0 BCADLO CC[C@H](CSC)[N@H+](C)Cc1nnnn1C ZINC000358733883 387005985 /nfs/dbraw/zinc/00/59/85/387005985.db2.gz DIYZMIFZPCLNNE-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@H](CSC)[N@@H+](C)Cc1nnnn1C ZINC000358733883 387005991 /nfs/dbraw/zinc/00/59/91/387005991.db2.gz DIYZMIFZPCLNNE-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO O=C1NC[C@H]2C[N@H+](CC(F)F)CC[C@@H]12 ZINC000368242875 386951991 /nfs/dbraw/zinc/95/19/91/386951991.db2.gz RICCAOLMAHWXBS-NKWVEPMBSA-N 1 2 204.220 0.319 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](CC(F)F)CC[C@@H]12 ZINC000368242875 386951993 /nfs/dbraw/zinc/95/19/93/386951993.db2.gz RICCAOLMAHWXBS-NKWVEPMBSA-N 1 2 204.220 0.319 20 0 BCADLO CC(C)n1c[nH+]cc1[C@@H]1NC(=O)CN1C ZINC000333372394 387031766 /nfs/dbraw/zinc/03/17/66/387031766.db2.gz FULDGTFOOBFKPG-SNVBAGLBSA-N 1 2 208.265 0.524 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H](O)COCC)C(=O)OC ZINC000118005553 387035067 /nfs/dbraw/zinc/03/50/67/387035067.db2.gz JZRKVXUNWYCUCY-CMPLNLGQSA-N 1 2 247.335 0.705 20 0 BCADLO COC(=O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000188690214 387066952 /nfs/dbraw/zinc/06/69/52/387066952.db2.gz XAJPAGOWRYDPJM-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO C[C@@H]1C[C@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359017597 387045405 /nfs/dbraw/zinc/04/54/05/387045405.db2.gz CKCVZMXWJKSWMK-KHQFGBGNSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@@H]1C[C@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359017597 387045410 /nfs/dbraw/zinc/04/54/10/387045410.db2.gz CKCVZMXWJKSWMK-KHQFGBGNSA-N 1 2 248.286 0.529 20 0 BCADLO CCC1(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000333713965 387052372 /nfs/dbraw/zinc/05/23/72/387052372.db2.gz GXSBIJYMLPHBNO-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO CCC1(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000333713965 387052381 /nfs/dbraw/zinc/05/23/81/387052381.db2.gz GXSBIJYMLPHBNO-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)C ZINC000359085427 387054101 /nfs/dbraw/zinc/05/41/01/387054101.db2.gz IRPRKLYHHMXXAI-NSHDSACASA-N 1 2 241.379 0.785 20 0 BCADLO Cc1cnn(CCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359114737 387056388 /nfs/dbraw/zinc/05/63/88/387056388.db2.gz FVHHCFLLWSLMNB-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO Cc1cnn(CCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359114737 387056391 /nfs/dbraw/zinc/05/63/91/387056391.db2.gz FVHHCFLLWSLMNB-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)C2CC2)C1 ZINC000334971394 387056897 /nfs/dbraw/zinc/05/68/97/387056897.db2.gz UOHGBVAGXIZIAM-VIFPVBQESA-N 1 2 236.312 0.112 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000118534133 387059148 /nfs/dbraw/zinc/05/91/48/387059148.db2.gz LFPITYFQVHVRDD-SFYZADRCSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000118534133 387059149 /nfs/dbraw/zinc/05/91/49/387059149.db2.gz LFPITYFQVHVRDD-SFYZADRCSA-N 1 2 203.307 0.985 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000369689997 387060931 /nfs/dbraw/zinc/06/09/31/387060931.db2.gz CPDSBMYUXBSRDJ-LLVKDONJSA-N 1 2 249.318 0.270 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000369689997 387060933 /nfs/dbraw/zinc/06/09/33/387060933.db2.gz CPDSBMYUXBSRDJ-LLVKDONJSA-N 1 2 249.318 0.270 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(F)F)C2 ZINC000369733252 387064871 /nfs/dbraw/zinc/06/48/71/387064871.db2.gz WLBXFHBUGKEJEZ-ZETCQYMHSA-N 1 2 229.230 0.888 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104796181 387009297 /nfs/dbraw/zinc/00/92/97/387009297.db2.gz AEZARXYURKRZIF-BBBLOLIVSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104796181 387009305 /nfs/dbraw/zinc/00/93/05/387009305.db2.gz AEZARXYURKRZIF-BBBLOLIVSA-N 1 2 227.308 0.025 20 0 BCADLO Cc1ccnc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000331298418 387009370 /nfs/dbraw/zinc/00/93/70/387009370.db2.gz UZTHMJYAYRHIOR-QWRGUYRKSA-N 1 2 239.319 0.349 20 0 BCADLO Cc1ccnc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000331298418 387009374 /nfs/dbraw/zinc/00/93/74/387009374.db2.gz UZTHMJYAYRHIOR-QWRGUYRKSA-N 1 2 239.319 0.349 20 0 BCADLO C[C@@H]1C[C@@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000334934196 387010738 /nfs/dbraw/zinc/01/07/38/387010738.db2.gz HWBOUUIKIVOQOB-HTQZYQBOSA-N 1 2 203.307 0.371 20 0 BCADLO CC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000331296535 387010825 /nfs/dbraw/zinc/01/08/25/387010825.db2.gz NIOLXVDITFCSGU-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000331296535 387010828 /nfs/dbraw/zinc/01/08/28/387010828.db2.gz NIOLXVDITFCSGU-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO COC1(C)CN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000333054172 387013948 /nfs/dbraw/zinc/01/39/48/387013948.db2.gz LVRNOZKMFMHFPL-UHFFFAOYSA-N 1 2 248.290 0.171 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cn[nH]c1)C2 ZINC000368846161 387014593 /nfs/dbraw/zinc/01/45/93/387014593.db2.gz OZSLSKVTBXDPSM-JTQLQIEISA-N 1 2 245.286 0.659 20 0 BCADLO CN(C)C(=O)CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000514611821 387014688 /nfs/dbraw/zinc/01/46/88/387014688.db2.gz GMTAIYLOSPIAFD-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO CN(C)C(=O)CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000514611821 387014692 /nfs/dbraw/zinc/01/46/92/387014692.db2.gz GMTAIYLOSPIAFD-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn[nH]c1)C2 ZINC000368846170 387014910 /nfs/dbraw/zinc/01/49/10/387014910.db2.gz OZSLSKVTBXDPSM-SNVBAGLBSA-N 1 2 245.286 0.659 20 0 BCADLO CCn1nccc1C[NH+]1CC(C)(C(=O)OC)C1 ZINC000425375348 387016838 /nfs/dbraw/zinc/01/68/38/387016838.db2.gz SXLXNERCSOOCAF-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@](F)(CO)C2)CCN1C1CC1 ZINC000334943328 387020412 /nfs/dbraw/zinc/02/04/12/387020412.db2.gz MUKDMJUCNKPPDU-CMPLNLGQSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@](F)(CO)C2)CCN1C1CC1 ZINC000334943328 387020418 /nfs/dbraw/zinc/02/04/18/387020418.db2.gz MUKDMJUCNKPPDU-CMPLNLGQSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@@](F)(CO)C2)CCN1C1CC1 ZINC000334943331 387020747 /nfs/dbraw/zinc/02/07/47/387020747.db2.gz MUKDMJUCNKPPDU-PWSUYJOCSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@@](F)(CO)C2)CCN1C1CC1 ZINC000334943331 387020752 /nfs/dbraw/zinc/02/07/52/387020752.db2.gz MUKDMJUCNKPPDU-PWSUYJOCSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@@](F)(CO)C2)CCN1C1CC1 ZINC000334943330 387020892 /nfs/dbraw/zinc/02/08/92/387020892.db2.gz MUKDMJUCNKPPDU-JQWIXIFHSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@@](F)(CO)C2)CCN1C1CC1 ZINC000334943330 387020896 /nfs/dbraw/zinc/02/08/96/387020896.db2.gz MUKDMJUCNKPPDU-JQWIXIFHSA-N 1 2 242.294 0.156 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368967303 387021523 /nfs/dbraw/zinc/02/15/23/387021523.db2.gz WQPUZKJLGBXQKU-DLOVCJGASA-N 1 2 248.330 0.804 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368967303 387021529 /nfs/dbraw/zinc/02/15/29/387021529.db2.gz WQPUZKJLGBXQKU-DLOVCJGASA-N 1 2 248.330 0.804 20 0 BCADLO CC(C)[N@@H+](Cc1nnnn1C1CC1)C[C@H](C)O ZINC000107043900 387026399 /nfs/dbraw/zinc/02/63/99/387026399.db2.gz UKMJAMRJUHXXTD-VIFPVBQESA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)[N@H+](Cc1nnnn1C1CC1)C[C@H](C)O ZINC000107043900 387026401 /nfs/dbraw/zinc/02/64/01/387026401.db2.gz UKMJAMRJUHXXTD-VIFPVBQESA-N 1 2 239.323 0.599 20 0 BCADLO Cc1ccncc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000359243236 387072337 /nfs/dbraw/zinc/07/23/37/387072337.db2.gz ORUPPEMSPFZXSR-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccncc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000359243236 387072341 /nfs/dbraw/zinc/07/23/41/387072341.db2.gz ORUPPEMSPFZXSR-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1nnc2n1CC[N@@H+](C[C@@](C)(O)C(C)C)C2 ZINC000369963339 387079900 /nfs/dbraw/zinc/07/99/00/387079900.db2.gz DKKHRQJKZVHZFK-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nnc2n1CC[N@H+](C[C@@](C)(O)C(C)C)C2 ZINC000369963339 387079903 /nfs/dbraw/zinc/07/99/03/387079903.db2.gz DKKHRQJKZVHZFK-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066405052 387083465 /nfs/dbraw/zinc/08/34/65/387083465.db2.gz UVWKMIXXDVNSTO-ZJUUUORDSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066405052 387083470 /nfs/dbraw/zinc/08/34/70/387083470.db2.gz UVWKMIXXDVNSTO-ZJUUUORDSA-N 1 2 233.333 0.284 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC2CCOCC2)C1 ZINC000418068805 387083660 /nfs/dbraw/zinc/08/36/60/387083660.db2.gz DLYNLHXXINZBJD-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO Cc1nnc(N(C)Cc2[nH+]ccn2C)nc1C ZINC000359328597 387084715 /nfs/dbraw/zinc/08/47/15/387084715.db2.gz CEZPPYAVTXVBLD-UHFFFAOYSA-N 1 2 232.291 0.858 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC(C)(C)COC)C1 ZINC000418072930 387085891 /nfs/dbraw/zinc/08/58/91/387085891.db2.gz LLJMAYOCSUISHM-UHFFFAOYSA-N 1 2 249.376 0.778 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000066560642 387086969 /nfs/dbraw/zinc/08/69/69/387086969.db2.gz DWKACLWNCCKYND-LLVKDONJSA-N 1 2 244.298 0.784 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000066560642 387086970 /nfs/dbraw/zinc/08/69/70/387086970.db2.gz DWKACLWNCCKYND-LLVKDONJSA-N 1 2 244.298 0.784 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1(F)F ZINC000359345961 387088743 /nfs/dbraw/zinc/08/87/43/387088743.db2.gz WXYJPDMYTCRCLA-HLTSFMKQSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1(F)F ZINC000359345961 387088748 /nfs/dbraw/zinc/08/87/48/387088748.db2.gz WXYJPDMYTCRCLA-HLTSFMKQSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1(F)F ZINC000359345963 387089013 /nfs/dbraw/zinc/08/90/13/387089013.db2.gz WXYJPDMYTCRCLA-HRDYMLBCSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1(F)F ZINC000359345963 387089017 /nfs/dbraw/zinc/08/90/17/387089017.db2.gz WXYJPDMYTCRCLA-HRDYMLBCSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259803 387091055 /nfs/dbraw/zinc/09/10/55/387091055.db2.gz UPGHFJRVFMCPOO-YUMQZZPRSA-N 1 2 243.282 0.407 20 0 BCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](F)C1 ZINC000336259803 387091058 /nfs/dbraw/zinc/09/10/58/387091058.db2.gz UPGHFJRVFMCPOO-YUMQZZPRSA-N 1 2 243.282 0.407 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cncn2CC)C1 ZINC000418090155 387096805 /nfs/dbraw/zinc/09/68/05/387096805.db2.gz NGITVMCYXDYDCC-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO CCOCCOCC(=O)NCc1[nH]c[nH+]c1C ZINC000359511576 387113751 /nfs/dbraw/zinc/11/37/51/387113751.db2.gz BMJHHDGPZKMEBN-UHFFFAOYSA-N 1 2 241.291 0.387 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000336301393 387131998 /nfs/dbraw/zinc/13/19/98/387131998.db2.gz GQOOFURALQMTSM-NXEZZACHSA-N 1 2 237.303 0.919 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000186609014 387117373 /nfs/dbraw/zinc/11/73/73/387117373.db2.gz VCOYNSGNUDJCGW-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000186609014 387117376 /nfs/dbraw/zinc/11/73/76/387117376.db2.gz VCOYNSGNUDJCGW-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO CO[C@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000336285595 387120587 /nfs/dbraw/zinc/12/05/87/387120587.db2.gz HEDNVRUGHJLKEK-NSHDSACASA-N 1 2 237.303 0.896 20 0 BCADLO Cc1cc(CNCC[NH+]2CCC(O)CC2)on1 ZINC000321586049 387122841 /nfs/dbraw/zinc/12/28/41/387122841.db2.gz QXNMGLTUENKDIR-UHFFFAOYSA-N 1 2 239.319 0.529 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370541372 387124720 /nfs/dbraw/zinc/12/47/20/387124720.db2.gz FJCQGNIPDIUTLI-VIFPVBQESA-N 1 2 237.303 0.670 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@]2(CO)CCOC2)nc1 ZINC000359585896 387128757 /nfs/dbraw/zinc/12/87/57/387128757.db2.gz SWWQFPMQQMGFEF-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@]2(CO)CCOC2)nc1 ZINC000359585896 387128761 /nfs/dbraw/zinc/12/87/61/387128761.db2.gz SWWQFPMQQMGFEF-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ncnn3C)C2)c1 ZINC000352390145 387144962 /nfs/dbraw/zinc/14/49/62/387144962.db2.gz BVFPCTDQOVDEFU-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ncnn3C)C2)c1 ZINC000352390145 387144964 /nfs/dbraw/zinc/14/49/64/387144964.db2.gz BVFPCTDQOVDEFU-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ncnn3C)C2)c1 ZINC000352390146 387145392 /nfs/dbraw/zinc/14/53/92/387145392.db2.gz BVFPCTDQOVDEFU-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3ncnn3C)C2)c1 ZINC000352390146 387145395 /nfs/dbraw/zinc/14/53/95/387145395.db2.gz BVFPCTDQOVDEFU-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)c1ccnnc1)C2 ZINC000371116916 387147693 /nfs/dbraw/zinc/14/76/93/387147693.db2.gz CQQRATUBXGQACP-UHFFFAOYSA-N 1 2 243.270 0.409 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571698547 387149643 /nfs/dbraw/zinc/14/96/43/387149643.db2.gz ROEWFQNPZNPPGC-QMMMGPOBSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571698547 387149650 /nfs/dbraw/zinc/14/96/50/387149650.db2.gz ROEWFQNPZNPPGC-QMMMGPOBSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@]2(CO)CCOC2)o1 ZINC000330790944 387152937 /nfs/dbraw/zinc/15/29/37/387152937.db2.gz AHGKZOWMPXKTOL-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@]2(CO)CCOC2)o1 ZINC000330790944 387152941 /nfs/dbraw/zinc/15/29/41/387152941.db2.gz AHGKZOWMPXKTOL-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)F ZINC000571774945 387167388 /nfs/dbraw/zinc/16/73/88/387167388.db2.gz MVENWDJKLOWJGX-ZCFIWIBFSA-N 1 2 217.219 0.970 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)F ZINC000571774945 387167394 /nfs/dbraw/zinc/16/73/94/387167394.db2.gz MVENWDJKLOWJGX-ZCFIWIBFSA-N 1 2 217.219 0.970 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)F ZINC000571774940 387168210 /nfs/dbraw/zinc/16/82/10/387168210.db2.gz MVENWDJKLOWJGX-LURJTMIESA-N 1 2 217.219 0.970 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)F ZINC000571774940 387168214 /nfs/dbraw/zinc/16/82/14/387168214.db2.gz MVENWDJKLOWJGX-LURJTMIESA-N 1 2 217.219 0.970 20 0 BCADLO CCC[C@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000359830517 387171237 /nfs/dbraw/zinc/17/12/37/387171237.db2.gz ISHLIIVFCHFLBA-NWDGAFQWSA-N 1 2 240.347 0.871 20 0 BCADLO CCN1CC[N@H+](Cc2ncccc2O)[C@@H](C)C1=O ZINC000571806713 387174332 /nfs/dbraw/zinc/17/43/32/387174332.db2.gz FIXZGDQANYQVAH-JTQLQIEISA-N 1 2 249.314 0.840 20 0 BCADLO CCN1CC[N@@H+](Cc2ncccc2O)[C@@H](C)C1=O ZINC000571806713 387174336 /nfs/dbraw/zinc/17/43/36/387174336.db2.gz FIXZGDQANYQVAH-JTQLQIEISA-N 1 2 249.314 0.840 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000359618685 387136857 /nfs/dbraw/zinc/13/68/57/387136857.db2.gz HUXTXIPYMZNUDD-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@](C)([NH2+]Cc1ccon1)C(N)=O ZINC000289283366 387212505 /nfs/dbraw/zinc/21/25/05/387212505.db2.gz GJSJPBWTDCLZTH-JTQLQIEISA-N 1 2 211.265 0.664 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)[C@@H]1CCCCNC1=O ZINC000120218442 387212682 /nfs/dbraw/zinc/21/26/82/387212682.db2.gz JYZISXVXRLCSJR-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCCCNC1=O ZINC000120218442 387212689 /nfs/dbraw/zinc/21/26/89/387212689.db2.gz JYZISXVXRLCSJR-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)C1CC(O)C1 ZINC000353492191 387216023 /nfs/dbraw/zinc/21/60/23/387216023.db2.gz UASQYERAXQPCLB-UHFFFAOYSA-N 1 2 222.288 0.663 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)C1CC(O)C1 ZINC000353492191 387216030 /nfs/dbraw/zinc/21/60/30/387216030.db2.gz UASQYERAXQPCLB-UHFFFAOYSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H](C(=O)N(C)C1CCC1)[NH+]1CCN(C)CC1 ZINC000336395458 387222348 /nfs/dbraw/zinc/22/23/48/387222348.db2.gz BSJYGOUBGQTQME-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO CCn1nccc1CC[N@H+](C)Cc1nnnn1C ZINC000572062124 387225209 /nfs/dbraw/zinc/22/52/09/387225209.db2.gz GGWHJKQFLCHCGQ-UHFFFAOYSA-N 1 2 249.322 0.101 20 0 BCADLO CCn1nccc1CC[N@@H+](C)Cc1nnnn1C ZINC000572062124 387225214 /nfs/dbraw/zinc/22/52/14/387225214.db2.gz GGWHJKQFLCHCGQ-UHFFFAOYSA-N 1 2 249.322 0.101 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000371518781 387225678 /nfs/dbraw/zinc/22/56/78/387225678.db2.gz SLXKLWCASCRMOZ-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000371518781 387225682 /nfs/dbraw/zinc/22/56/82/387225682.db2.gz SLXKLWCASCRMOZ-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cn2cccnc2n1 ZINC000572118394 387239363 /nfs/dbraw/zinc/23/93/63/387239363.db2.gz BMAFUAVDFOZJSG-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cn2cccnc2n1 ZINC000572118394 387239366 /nfs/dbraw/zinc/23/93/66/387239366.db2.gz BMAFUAVDFOZJSG-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360200633 387242478 /nfs/dbraw/zinc/24/24/78/387242478.db2.gz XTWVIVFXVRQTGJ-VHSXEESVSA-N 1 2 239.319 0.987 20 0 BCADLO CCCn1cc(C[N@H+](CC)CC(N)=O)cn1 ZINC000188060704 387245960 /nfs/dbraw/zinc/24/59/60/387245960.db2.gz WXBNUEAJDYSZKK-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO CCCn1cc(C[N@@H+](CC)CC(N)=O)cn1 ZINC000188060704 387245966 /nfs/dbraw/zinc/24/59/66/387245966.db2.gz WXBNUEAJDYSZKK-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO COCc1nc(C[N@H+](CCO)CC2CC2)no1 ZINC000352484740 387248316 /nfs/dbraw/zinc/24/83/16/387248316.db2.gz SSRVSTRRHHLLDP-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO COCc1nc(C[N@@H+](CCO)CC2CC2)no1 ZINC000352484740 387248320 /nfs/dbraw/zinc/24/83/20/387248320.db2.gz SSRVSTRRHHLLDP-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C(N)=O)cs1 ZINC000188073261 387248392 /nfs/dbraw/zinc/24/83/92/387248392.db2.gz MVYOKGYKFYNIPP-UHFFFAOYSA-N 1 2 241.316 0.154 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C(N)=O)cs1 ZINC000188073261 387248399 /nfs/dbraw/zinc/24/83/99/387248399.db2.gz MVYOKGYKFYNIPP-UHFFFAOYSA-N 1 2 241.316 0.154 20 0 BCADLO CC[C@H]1[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000187466964 387196509 /nfs/dbraw/zinc/19/65/09/387196509.db2.gz AMQMCRITQNDBNX-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H]1[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000187466964 387196513 /nfs/dbraw/zinc/19/65/13/387196513.db2.gz AMQMCRITQNDBNX-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000187466948 387196589 /nfs/dbraw/zinc/19/65/89/387196589.db2.gz AMQMCRITQNDBNX-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000187466948 387196592 /nfs/dbraw/zinc/19/65/92/387196592.db2.gz AMQMCRITQNDBNX-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000187466977 387198075 /nfs/dbraw/zinc/19/80/75/387198075.db2.gz AMQMCRITQNDBNX-TUAOUCFPSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000187466977 387198079 /nfs/dbraw/zinc/19/80/79/387198079.db2.gz AMQMCRITQNDBNX-TUAOUCFPSA-N 1 2 240.347 0.964 20 0 BCADLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000360578245 387311918 /nfs/dbraw/zinc/31/19/18/387311918.db2.gz CVYCQHCOLNXMLX-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H](C(=O)N[C@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000336485374 387314568 /nfs/dbraw/zinc/31/45/68/387314568.db2.gz XONIIRQSZKJAQP-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@@H](CNC(=O)C[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000352505411 387266807 /nfs/dbraw/zinc/26/68/07/387266807.db2.gz BJPXQUYXGUWYQK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854308 387280343 /nfs/dbraw/zinc/28/03/43/387280343.db2.gz QFGMBBMXAPXIND-YUSALJHKSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854308 387280352 /nfs/dbraw/zinc/28/03/52/387280352.db2.gz QFGMBBMXAPXIND-YUSALJHKSA-N 1 2 238.331 0.622 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC1 ZINC000336458335 387283592 /nfs/dbraw/zinc/28/35/92/387283592.db2.gz UYRLQPBGTQLSKI-AOOOYVTPSA-N 1 2 210.277 0.128 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC1 ZINC000336458335 387283594 /nfs/dbraw/zinc/28/35/94/387283594.db2.gz UYRLQPBGTQLSKI-AOOOYVTPSA-N 1 2 210.277 0.128 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cs1 ZINC000285778144 387285641 /nfs/dbraw/zinc/28/56/41/387285641.db2.gz DUOYOUSOLZCCJM-NXEZZACHSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@H]2O)cs1 ZINC000285778144 387285649 /nfs/dbraw/zinc/28/56/49/387285649.db2.gz DUOYOUSOLZCCJM-NXEZZACHSA-N 1 2 228.317 0.643 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000372349241 387294335 /nfs/dbraw/zinc/29/43/35/387294335.db2.gz SBSRCZKNHKNPAV-KOLCDFICSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000372349241 387294338 /nfs/dbraw/zinc/29/43/38/387294338.db2.gz SBSRCZKNHKNPAV-KOLCDFICSA-N 1 2 235.287 0.558 20 0 BCADLO COC[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354037958 387318455 /nfs/dbraw/zinc/31/84/55/387318455.db2.gz INIYCDXKAVCHGL-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC ZINC000336470208 387300102 /nfs/dbraw/zinc/30/01/02/387300102.db2.gz RQMGIAUFRVBREB-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC ZINC000336470208 387300107 /nfs/dbraw/zinc/30/01/07/387300107.db2.gz RQMGIAUFRVBREB-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC1(O)CCC1 ZINC000514873341 387301244 /nfs/dbraw/zinc/30/12/44/387301244.db2.gz PLCKZXPGNFXAHP-UHFFFAOYSA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC1(O)CCC1 ZINC000514873341 387301251 /nfs/dbraw/zinc/30/12/51/387301251.db2.gz PLCKZXPGNFXAHP-UHFFFAOYSA-N 1 2 238.291 0.419 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000372506248 387307554 /nfs/dbraw/zinc/30/75/54/387307554.db2.gz WBWNNJGZMHWFHF-LBPRGKRZSA-N 1 2 233.271 0.277 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N(C)c2nncs2)C1 ZINC000572376904 387354373 /nfs/dbraw/zinc/35/43/73/387354373.db2.gz XEOCPESXSUQDPE-MRVPVSSYSA-N 1 2 240.332 0.843 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2nncs2)C1 ZINC000572376904 387354375 /nfs/dbraw/zinc/35/43/75/387354375.db2.gz XEOCPESXSUQDPE-MRVPVSSYSA-N 1 2 240.332 0.843 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCO[C@@H]1C)CC2 ZINC000373301430 387356411 /nfs/dbraw/zinc/35/64/11/387356411.db2.gz LAIFFCXYQZLQOL-GHMZBOCLSA-N 1 2 249.314 0.959 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CO1 ZINC000526131681 387359544 /nfs/dbraw/zinc/35/95/44/387359544.db2.gz BAKQNHPUPUGERN-ZJUUUORDSA-N 1 2 235.287 0.691 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000352601532 387360535 /nfs/dbraw/zinc/36/05/35/387360535.db2.gz GWZNDKFHMQLXKS-SNVBAGLBSA-N 1 2 225.292 0.707 20 0 BCADLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH3+])C1=O ZINC000515307978 387362922 /nfs/dbraw/zinc/36/29/22/387362922.db2.gz DFHHXOZTFRQTJN-IONNQARKSA-N 1 2 219.244 0.229 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@H](O)C2)nnc1C1CCC1 ZINC000360909867 387365247 /nfs/dbraw/zinc/36/52/47/387365247.db2.gz MNFOJRYFIPAXKD-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CC[C@H](O)C2)nnc1C1CCC1 ZINC000360909867 387365251 /nfs/dbraw/zinc/36/52/51/387365251.db2.gz MNFOJRYFIPAXKD-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(N)=O)cn1 ZINC000360910469 387365290 /nfs/dbraw/zinc/36/52/90/387365290.db2.gz TVSKGPSUFCGOGG-UHFFFAOYSA-N 1 2 231.259 0.540 20 0 BCADLO Cn1cccc1C[NH+]1CC(n2ccnn2)C1 ZINC000336550338 387370916 /nfs/dbraw/zinc/37/09/16/387370916.db2.gz LBSUQDDRPHFWMO-UHFFFAOYSA-N 1 2 217.276 0.674 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000360965184 387374635 /nfs/dbraw/zinc/37/46/35/387374635.db2.gz CHLSUDJJHRMADU-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000360965184 387374638 /nfs/dbraw/zinc/37/46/38/387374638.db2.gz CHLSUDJJHRMADU-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000360960615 387375199 /nfs/dbraw/zinc/37/51/99/387375199.db2.gz ZJSKGFFBQWSWMD-LBPRGKRZSA-N 1 2 249.314 0.563 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000360960615 387375203 /nfs/dbraw/zinc/37/52/03/387375203.db2.gz ZJSKGFFBQWSWMD-LBPRGKRZSA-N 1 2 249.314 0.563 20 0 BCADLO Cn1cc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000336556115 387380344 /nfs/dbraw/zinc/38/03/44/387380344.db2.gz HKLNYRRDWYRGIX-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1cc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000336556115 387380347 /nfs/dbraw/zinc/38/03/47/387380347.db2.gz HKLNYRRDWYRGIX-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO COC(=O)N1CC([NH2+][C@H](C)c2ncc[nH]2)C1 ZINC000286311749 387324908 /nfs/dbraw/zinc/32/49/08/387324908.db2.gz XNFKYFSYTRMVEW-SSDOTTSWSA-N 1 2 224.264 0.511 20 0 BCADLO CC(C)[N@H+](Cc1nncn1C)[C@H]1CCOC1 ZINC000515025439 387325338 /nfs/dbraw/zinc/32/53/38/387325338.db2.gz JIRDQMPYBAPQEJ-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1nncn1C)[C@H]1CCOC1 ZINC000515025439 387325342 /nfs/dbraw/zinc/32/53/42/387325342.db2.gz JIRDQMPYBAPQEJ-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1C[NH2+]CCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000423485064 387330555 /nfs/dbraw/zinc/33/05/55/387330555.db2.gz TVRKADNZPWVVSO-QMMMGPOBSA-N 1 2 245.286 0.392 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000372858758 387331241 /nfs/dbraw/zinc/33/12/41/387331241.db2.gz PATQGBSPZJUPKZ-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000372858758 387331251 /nfs/dbraw/zinc/33/12/51/387331251.db2.gz PATQGBSPZJUPKZ-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO COC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000572338552 387332393 /nfs/dbraw/zinc/33/23/93/387332393.db2.gz TVRFUSJZCAXSDF-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000372842233 387332534 /nfs/dbraw/zinc/33/25/34/387332534.db2.gz OMRSPWWYNHAKHM-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000372842233 387332539 /nfs/dbraw/zinc/33/25/39/387332539.db2.gz OMRSPWWYNHAKHM-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CNC(=O)C2)c(C)c[nH+]1 ZINC000372931610 387336370 /nfs/dbraw/zinc/33/63/70/387336370.db2.gz YUPINKPNHKNNBJ-ZDUSSCGKSA-N 1 2 247.298 0.585 20 0 BCADLO COC(=O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000354155141 387339045 /nfs/dbraw/zinc/33/90/45/387339045.db2.gz IPDMDORPXMJDNJ-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO C[C@H](CCCO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360815221 387353310 /nfs/dbraw/zinc/35/33/10/387353310.db2.gz BYMVFNWKPVVJSX-HTQZYQBOSA-N 1 2 236.262 0.261 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1nnnn1C ZINC000361275790 387424047 /nfs/dbraw/zinc/42/40/47/387424047.db2.gz AYZXQGNKGDSUSN-SNVBAGLBSA-N 1 2 241.339 0.439 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000361275790 387424051 /nfs/dbraw/zinc/42/40/51/387424051.db2.gz AYZXQGNKGDSUSN-SNVBAGLBSA-N 1 2 241.339 0.439 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cncnc1 ZINC000354762183 387427499 /nfs/dbraw/zinc/42/74/99/387427499.db2.gz NAWRSHYOMQSQFZ-UHFFFAOYSA-N 1 2 214.228 0.854 20 0 BCADLO CN(CCCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000374210183 387431612 /nfs/dbraw/zinc/43/16/12/387431612.db2.gz KATLAJFQYUEQGL-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CCC[C@H]1O ZINC000352669457 387432467 /nfs/dbraw/zinc/43/24/67/387432467.db2.gz ZXTROXDHNQOGFV-VHSXEESVSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CCC[C@H]1O ZINC000352669457 387432473 /nfs/dbraw/zinc/43/24/73/387432473.db2.gz ZXTROXDHNQOGFV-VHSXEESVSA-N 1 2 242.298 0.593 20 0 BCADLO CO[C@@H]1C[NH+](Cc2c[nH]cn2)C[C@H]1OC ZINC000361326973 387438498 /nfs/dbraw/zinc/43/84/98/387438498.db2.gz RCZLKPQMLWGRBS-NXEZZACHSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cnc[nH]2)C[C@H]1OC ZINC000361326973 387438501 /nfs/dbraw/zinc/43/85/01/387438501.db2.gz RCZLKPQMLWGRBS-NXEZZACHSA-N 1 2 211.265 0.255 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1ccncc1 ZINC000354866575 387438676 /nfs/dbraw/zinc/43/86/76/387438676.db2.gz ZYNRRTJUECKEDA-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1ccncc1 ZINC000354866575 387438678 /nfs/dbraw/zinc/43/86/78/387438678.db2.gz ZYNRRTJUECKEDA-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO CO[C@H]1C[NH+](Cc2c[nH]cn2)C[C@@H]1OC ZINC000361326974 387439786 /nfs/dbraw/zinc/43/97/86/387439786.db2.gz RCZLKPQMLWGRBS-UWVGGRQHSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@H]1C[NH+](Cc2cnc[nH]2)C[C@@H]1OC ZINC000361326974 387439790 /nfs/dbraw/zinc/43/97/90/387439790.db2.gz RCZLKPQMLWGRBS-UWVGGRQHSA-N 1 2 211.265 0.255 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)CN1CC1CC1 ZINC000361333170 387441788 /nfs/dbraw/zinc/44/17/88/387441788.db2.gz ZTMFLKJGGHHEHQ-UHFFFAOYSA-N 1 2 220.276 0.421 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)CN1CC1CC1 ZINC000361333170 387441791 /nfs/dbraw/zinc/44/17/91/387441791.db2.gz ZTMFLKJGGHHEHQ-UHFFFAOYSA-N 1 2 220.276 0.421 20 0 BCADLO COCc1nc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352702006 387442001 /nfs/dbraw/zinc/44/20/01/387442001.db2.gz XHGJJBIHWWASLS-BDAKNGLRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352702006 387442006 /nfs/dbraw/zinc/44/20/06/387442006.db2.gz XHGJJBIHWWASLS-BDAKNGLRSA-N 1 2 241.291 0.561 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352698841 387443607 /nfs/dbraw/zinc/44/36/07/387443607.db2.gz NTTBDVVAZSLARU-IUCAKERBSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352698841 387443611 /nfs/dbraw/zinc/44/36/11/387443611.db2.gz NTTBDVVAZSLARU-IUCAKERBSA-N 1 2 228.292 0.101 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000374395770 387448584 /nfs/dbraw/zinc/44/85/84/387448584.db2.gz VQQXQCASANRRIX-KBVBDRTLSA-N 1 2 237.347 0.459 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423922958 387451643 /nfs/dbraw/zinc/45/16/43/387451643.db2.gz KGFBIMZZAJEKCR-FXQIFTODSA-N 1 2 236.262 0.523 20 0 BCADLO C[N@H+](Cc1ncccn1)[C@@]1(CO)CCOC1 ZINC000331132583 387385760 /nfs/dbraw/zinc/38/57/60/387385760.db2.gz BRVADONENBJAMW-LLVKDONJSA-N 1 2 223.276 0.060 20 0 BCADLO C[N@@H+](Cc1ncccn1)[C@@]1(CO)CCOC1 ZINC000331132583 387385767 /nfs/dbraw/zinc/38/57/67/387385767.db2.gz BRVADONENBJAMW-LLVKDONJSA-N 1 2 223.276 0.060 20 0 BCADLO CCN(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336567326 387391626 /nfs/dbraw/zinc/39/16/26/387391626.db2.gz YLFIYVSKZYTTPT-QMMMGPOBSA-N 1 2 222.292 0.928 20 0 BCADLO CCN(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336567326 387391630 /nfs/dbraw/zinc/39/16/30/387391630.db2.gz YLFIYVSKZYTTPT-QMMMGPOBSA-N 1 2 222.292 0.928 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1n[nH]c2c1CCC2 ZINC000336570986 387395635 /nfs/dbraw/zinc/39/56/35/387395635.db2.gz AUGKOGUGTXBTPY-UHFFFAOYSA-N 1 2 245.286 0.894 20 0 BCADLO Cc1n[nH]cc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000354983187 387460358 /nfs/dbraw/zinc/46/03/58/387460358.db2.gz SGNLFESKXCHSTH-UHFFFAOYSA-N 1 2 236.279 0.457 20 0 BCADLO COC[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373838952 387399033 /nfs/dbraw/zinc/39/90/33/387399033.db2.gz IXJQHPIHBPXDCG-MRVPVSSYSA-N 1 2 240.307 0.725 20 0 BCADLO c1cn2c([nH+]1)CN(Cc1ccon1)CC2 ZINC000336579043 387401476 /nfs/dbraw/zinc/40/14/76/387401476.db2.gz RBOGTUQWXCYRRH-UHFFFAOYSA-N 1 2 204.233 0.887 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000373912442 387403208 /nfs/dbraw/zinc/40/32/08/387403208.db2.gz UYHKPXUJCPATFC-LLVKDONJSA-N 1 2 223.276 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000373912442 387403212 /nfs/dbraw/zinc/40/32/12/387403212.db2.gz UYHKPXUJCPATFC-LLVKDONJSA-N 1 2 223.276 0.725 20 0 BCADLO COC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000373973839 387408881 /nfs/dbraw/zinc/40/88/81/387408881.db2.gz UDMDQECLAIMVTK-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCn2nncc2C1 ZINC000515671596 387410574 /nfs/dbraw/zinc/41/05/74/387410574.db2.gz OQYXTRNVYQGKDC-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCn2nncc2C1 ZINC000515671596 387410578 /nfs/dbraw/zinc/41/05/78/387410578.db2.gz OQYXTRNVYQGKDC-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO CC[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194430893 387416171 /nfs/dbraw/zinc/41/61/71/387416171.db2.gz BRCGHEIZCWLXPT-VIFPVBQESA-N 1 2 209.297 0.975 20 0 BCADLO CC[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194430893 387416174 /nfs/dbraw/zinc/41/61/74/387416174.db2.gz BRCGHEIZCWLXPT-VIFPVBQESA-N 1 2 209.297 0.975 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374071206 387416637 /nfs/dbraw/zinc/41/66/37/387416637.db2.gz XQHRWFLGOKISGM-PHIMTYICSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374071206 387416643 /nfs/dbraw/zinc/41/66/43/387416643.db2.gz XQHRWFLGOKISGM-PHIMTYICSA-N 1 2 226.320 0.718 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)CCC(C)C ZINC000361219157 387417946 /nfs/dbraw/zinc/41/79/46/387417946.db2.gz AYBXEAAMGYNSRJ-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000361219157 387417950 /nfs/dbraw/zinc/41/79/50/387417950.db2.gz AYBXEAAMGYNSRJ-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO Cn1nnc(C[N@@H+]2CCCC(C)(C)C2)n1 ZINC000194436660 387418938 /nfs/dbraw/zinc/41/89/38/387418938.db2.gz SULJFSUHNCNFQM-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CCCC(C)(C)C2)n1 ZINC000194436660 387418943 /nfs/dbraw/zinc/41/89/43/387418943.db2.gz SULJFSUHNCNFQM-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000423771801 387420445 /nfs/dbraw/zinc/42/04/45/387420445.db2.gz JVECPVLXZJBBEV-SECBINFHSA-N 1 2 237.259 0.023 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@H]2O)sc1C ZINC000352805900 387497000 /nfs/dbraw/zinc/49/70/00/387497000.db2.gz SVSIRRYVOHENKP-NXEZZACHSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@H]2O)sc1C ZINC000352805900 387497003 /nfs/dbraw/zinc/49/70/03/387497003.db2.gz SVSIRRYVOHENKP-NXEZZACHSA-N 1 2 242.344 0.951 20 0 BCADLO CC(C)(C)n1nnnc1Cn1cc[nH+]c1 ZINC000361587141 387504109 /nfs/dbraw/zinc/50/41/09/387504109.db2.gz IQWOFUWBXZOJTD-UHFFFAOYSA-N 1 2 206.253 0.673 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000648686282 387504536 /nfs/dbraw/zinc/50/45/36/387504536.db2.gz DTIVAJOLAQVYSX-JTQLQIEISA-N 1 2 247.298 0.756 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000648686282 387504540 /nfs/dbraw/zinc/50/45/40/387504540.db2.gz DTIVAJOLAQVYSX-JTQLQIEISA-N 1 2 247.298 0.756 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COC(C)C ZINC000361627255 387513436 /nfs/dbraw/zinc/51/34/36/387513436.db2.gz CZEDMMNEISSDMO-ZJUUUORDSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COC(C)C ZINC000361627255 387513442 /nfs/dbraw/zinc/51/34/42/387513442.db2.gz CZEDMMNEISSDMO-ZJUUUORDSA-N 1 2 233.308 0.266 20 0 BCADLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)n(C)n1 ZINC000516472997 387514543 /nfs/dbraw/zinc/51/45/43/387514543.db2.gz QDGCRPAUTOUUEZ-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352818859 387515276 /nfs/dbraw/zinc/51/52/76/387515276.db2.gz VDBQTGUPENCHEN-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352818859 387515282 /nfs/dbraw/zinc/51/52/82/387515282.db2.gz VDBQTGUPENCHEN-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000516495845 387515609 /nfs/dbraw/zinc/51/56/09/387515609.db2.gz RSANFBNFNQFQGQ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000516495845 387515615 /nfs/dbraw/zinc/51/56/15/387515615.db2.gz RSANFBNFNQFQGQ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)COCC(C)C ZINC000361640045 387515895 /nfs/dbraw/zinc/51/58/95/387515895.db2.gz RQPGBORVPAEAEX-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COCC(C)C ZINC000361640045 387515900 /nfs/dbraw/zinc/51/59/00/387515900.db2.gz RQPGBORVPAEAEX-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)C[C@H]1C ZINC000527182574 387517170 /nfs/dbraw/zinc/51/71/70/387517170.db2.gz BFGDLKHPAGKKGU-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)C[C@H]1C ZINC000527182574 387517175 /nfs/dbraw/zinc/51/71/75/387517175.db2.gz BFGDLKHPAGKKGU-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000355311993 387517831 /nfs/dbraw/zinc/51/78/31/387517831.db2.gz FXHNGWZPISZSKI-WCQGTBRESA-N 1 2 249.314 0.804 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1CO ZINC000527191413 387524851 /nfs/dbraw/zinc/52/48/51/387524851.db2.gz SXLOSOCUMHLZPR-KOLCDFICSA-N 1 2 237.303 0.192 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000304943248 387528649 /nfs/dbraw/zinc/52/86/49/387528649.db2.gz OKYAXKQMRVVDKZ-VHSXEESVSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000527208216 387533988 /nfs/dbraw/zinc/53/39/88/387533988.db2.gz UNYGGUBZARRVIZ-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000527208216 387533991 /nfs/dbraw/zinc/53/39/91/387533991.db2.gz UNYGGUBZARRVIZ-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO Cc1nc(N[C@H](C)[C@@H]2CCCCO2)nc(N)[nH+]1 ZINC000379267946 387536954 /nfs/dbraw/zinc/53/69/54/387536954.db2.gz SRGJPOARUFOJKL-APPZFPTMSA-N 1 2 237.307 0.384 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@@H]2CCCCO2)[nH+]1 ZINC000379267946 387536956 /nfs/dbraw/zinc/53/69/56/387536956.db2.gz SRGJPOARUFOJKL-APPZFPTMSA-N 1 2 237.307 0.384 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](C)O)C(=O)OC ZINC000192797545 387537104 /nfs/dbraw/zinc/53/71/04/387537104.db2.gz OQWMTZBPPIHBSM-YIZRAAEISA-N 1 2 203.282 0.545 20 0 BCADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(CO)CC1 ZINC000375408208 387537444 /nfs/dbraw/zinc/53/74/44/387537444.db2.gz CBRGGGFRUVVFIS-VIFPVBQESA-N 1 2 248.273 0.215 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC(F)(F)F ZINC000355446255 387538016 /nfs/dbraw/zinc/53/80/16/387538016.db2.gz XRXJMFXZDNIROB-YFKPBYRVSA-N 1 2 241.213 0.454 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCC(F)(F)F ZINC000355446255 387538021 /nfs/dbraw/zinc/53/80/21/387538021.db2.gz XRXJMFXZDNIROB-YFKPBYRVSA-N 1 2 241.213 0.454 20 0 BCADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(CO)CC1 ZINC000375408207 387537937 /nfs/dbraw/zinc/53/79/37/387537937.db2.gz CBRGGGFRUVVFIS-SECBINFHSA-N 1 2 248.273 0.215 20 0 BCADLO Cn1nnc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000193485731 387541156 /nfs/dbraw/zinc/54/11/56/387541156.db2.gz IRECJTAWOZCLRB-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO Cn1nnc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000193485731 387541160 /nfs/dbraw/zinc/54/11/60/387541160.db2.gz IRECJTAWOZCLRB-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000355013988 387463215 /nfs/dbraw/zinc/46/32/15/387463215.db2.gz JNTXFMWYCJCHPE-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000355013985 387463296 /nfs/dbraw/zinc/46/32/96/387463296.db2.gz JNTXFMWYCJCHPE-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355038067 387467839 /nfs/dbraw/zinc/46/78/39/387467839.db2.gz ALVXXYWVLRTBPE-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355038067 387467843 /nfs/dbraw/zinc/46/78/43/387467843.db2.gz ALVXXYWVLRTBPE-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO COC[C@H](CC(C)C)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000355048802 387471092 /nfs/dbraw/zinc/47/10/92/387471092.db2.gz FOCPNKHKUJXIGG-GARJFASQSA-N 1 2 247.335 0.560 20 0 BCADLO COC[C@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000355064884 387471752 /nfs/dbraw/zinc/47/17/52/387471752.db2.gz XVQMSNAZIXKXTF-ILDUYXDCSA-N 1 2 245.319 0.722 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1ncnn1CCF ZINC000361513779 387476189 /nfs/dbraw/zinc/47/61/89/387476189.db2.gz HSKZEJXMMFLLQO-QMMMGPOBSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1ncnn1CCF ZINC000361513779 387476193 /nfs/dbraw/zinc/47/61/93/387476193.db2.gz HSKZEJXMMFLLQO-QMMMGPOBSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000361512803 387477961 /nfs/dbraw/zinc/47/79/61/387477961.db2.gz RHRCPLTZWHHVPO-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000361512803 387477966 /nfs/dbraw/zinc/47/79/66/387477966.db2.gz RHRCPLTZWHHVPO-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)N(C)C)CC2 ZINC000374661490 387478203 /nfs/dbraw/zinc/47/82/03/387478203.db2.gz LRPTVGJKYVFARL-UHFFFAOYSA-N 1 2 222.292 0.095 20 0 BCADLO CO[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374663908 387478973 /nfs/dbraw/zinc/47/89/73/387478973.db2.gz QSFIERAWYUPCLF-SECBINFHSA-N 1 2 223.276 0.569 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1(O)CCCC1)CC2 ZINC000374665176 387479290 /nfs/dbraw/zinc/47/92/90/387479290.db2.gz UILWSHWCNNYVGK-UHFFFAOYSA-N 1 2 249.314 0.839 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)N1CCCC1)CC2 ZINC000374691601 387481604 /nfs/dbraw/zinc/48/16/04/387481604.db2.gz DRPOPIFJGNIFGM-UHFFFAOYSA-N 1 2 248.330 0.630 20 0 BCADLO COc1cc[nH+]c(CN2CCN(C)C(=O)[C@H]2C)c1 ZINC000426143860 387542308 /nfs/dbraw/zinc/54/23/08/387542308.db2.gz ALINNHRYBSZIHX-SNVBAGLBSA-N 1 2 249.314 0.753 20 0 BCADLO COC(=O)CN(Cc1c[nH+]cn1C)C1CC1 ZINC000355120999 387482109 /nfs/dbraw/zinc/48/21/09/387482109.db2.gz YQKKVRVATVHSDU-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccnnc1)CC2 ZINC000374695097 387483810 /nfs/dbraw/zinc/48/38/10/387483810.db2.gz RPNVYDJOABVMLN-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO COC1(C[N@H+](C)Cc2nnnn2C)CCCC1 ZINC000361556636 387486509 /nfs/dbraw/zinc/48/65/09/387486509.db2.gz JHLPKOKKKFHJJT-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO COC1(C[N@@H+](C)Cc2nnnn2C)CCCC1 ZINC000361556636 387486516 /nfs/dbraw/zinc/48/65/16/387486516.db2.gz JHLPKOKKKFHJJT-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361555894 387486973 /nfs/dbraw/zinc/48/69/73/387486973.db2.gz UIJCYWCNECTVHZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361555894 387486977 /nfs/dbraw/zinc/48/69/77/387486977.db2.gz UIJCYWCNECTVHZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000355158771 387490344 /nfs/dbraw/zinc/49/03/44/387490344.db2.gz GYBXBUTVANGFNP-LDYMZIIASA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000355158771 387490349 /nfs/dbraw/zinc/49/03/49/387490349.db2.gz GYBXBUTVANGFNP-LDYMZIIASA-N 1 2 225.292 0.300 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)CC1(F)CC1 ZINC000527509900 387587754 /nfs/dbraw/zinc/58/77/54/387587754.db2.gz DFPCKCOZOWEMCG-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)CC1(F)CC1 ZINC000527509900 387587763 /nfs/dbraw/zinc/58/77/63/387587763.db2.gz DFPCKCOZOWEMCG-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(C)c1 ZINC000527534882 387628465 /nfs/dbraw/zinc/62/84/65/387628465.db2.gz RLMZASXFALTXEO-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(C)c1 ZINC000527534882 387628468 /nfs/dbraw/zinc/62/84/68/387628468.db2.gz RLMZASXFALTXEO-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CC(C)[C@@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC000362349204 387598896 /nfs/dbraw/zinc/59/88/96/387598896.db2.gz SJGWYVDCDVQRCN-LLVKDONJSA-N 1 2 239.319 0.654 20 0 BCADLO CC1=C[C@@H](C)C[N@H+](Cc2nnnn2C)C1 ZINC000430267806 387602396 /nfs/dbraw/zinc/60/23/96/387602396.db2.gz LHJUSUDSRDAFPC-MRVPVSSYSA-N 1 2 207.281 0.608 20 0 BCADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnnn2C)C1 ZINC000430267806 387602399 /nfs/dbraw/zinc/60/23/99/387602399.db2.gz LHJUSUDSRDAFPC-MRVPVSSYSA-N 1 2 207.281 0.608 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)ccn1 ZINC000527538057 387605659 /nfs/dbraw/zinc/60/56/59/387605659.db2.gz BCKWLLOHVBIFGN-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)ccn1 ZINC000527538057 387605664 /nfs/dbraw/zinc/60/56/64/387605664.db2.gz BCKWLLOHVBIFGN-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1ccccc1 ZINC000356024796 387608770 /nfs/dbraw/zinc/60/87/70/387608770.db2.gz OAWKBXRQELWVIX-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1ccccc1 ZINC000356024796 387608773 /nfs/dbraw/zinc/60/87/73/387608773.db2.gz OAWKBXRQELWVIX-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)ccn1 ZINC000527539726 387609040 /nfs/dbraw/zinc/60/90/40/387609040.db2.gz MQZWGIIRUMMLFS-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)ccn1 ZINC000527539726 387609044 /nfs/dbraw/zinc/60/90/44/387609044.db2.gz MQZWGIIRUMMLFS-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000527540197 387610501 /nfs/dbraw/zinc/61/05/01/387610501.db2.gz VJBXHPSMPZNXSU-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC=CC1 ZINC000623758256 387629281 /nfs/dbraw/zinc/62/92/81/387629281.db2.gz UQSNPHWIKQJKRW-NSHDSACASA-N 1 2 239.319 0.335 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC=CC1 ZINC000623758256 387629283 /nfs/dbraw/zinc/62/92/83/387629283.db2.gz UQSNPHWIKQJKRW-NSHDSACASA-N 1 2 239.319 0.335 20 0 BCADLO CCN(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376317130 387620974 /nfs/dbraw/zinc/62/09/74/387620974.db2.gz SCRNQJFFGXDCKY-NSHDSACASA-N 1 2 241.335 0.465 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1nncs1 ZINC000527532896 387622741 /nfs/dbraw/zinc/62/27/41/387622741.db2.gz PRPGSMDGAVXVBB-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1nncs1 ZINC000527532896 387622743 /nfs/dbraw/zinc/62/27/43/387622743.db2.gz PRPGSMDGAVXVBB-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)CC(F)F)c[nH+]1 ZINC000430518229 387622857 /nfs/dbraw/zinc/62/28/57/387622857.db2.gz KYNWUWWFOMALIW-ZCFIWIBFSA-N 1 2 233.218 0.464 20 0 BCADLO C[C@H](CCO)CNC(=O)NCCn1cc[nH+]c1 ZINC000361857451 387547492 /nfs/dbraw/zinc/54/74/92/387547492.db2.gz AKTHUQDZQNDEOP-SNVBAGLBSA-N 1 2 240.307 0.201 20 0 BCADLO COCC1(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000527250732 387550365 /nfs/dbraw/zinc/55/03/65/387550365.db2.gz XHDVBDXIXUALIV-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ncncc1Cl ZINC000426262101 387552138 /nfs/dbraw/zinc/55/21/38/387552138.db2.gz UZGKGGBMCBVZNQ-UHFFFAOYSA-N 1 2 237.650 0.783 20 0 BCADLO O=C1OC[C@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000361939934 387553847 /nfs/dbraw/zinc/55/38/47/387553847.db2.gz OWZQLMIHEJULJS-FHKCNRDCSA-N 1 2 216.668 0.875 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000361939934 387553856 /nfs/dbraw/zinc/55/38/56/387553856.db2.gz OWZQLMIHEJULJS-FHKCNRDCSA-N 1 2 216.668 0.875 20 0 BCADLO CC[C@]1(C(=O)NO[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000119576125 387555192 /nfs/dbraw/zinc/55/51/92/387555192.db2.gz FYLCEFDOGHNYSG-PWSUYJOCSA-N 1 2 242.319 0.951 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)ccn1 ZINC000527534429 387627472 /nfs/dbraw/zinc/62/74/72/387627472.db2.gz PZBHGRBGLXWIRP-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)ccn1 ZINC000527534429 387627476 /nfs/dbraw/zinc/62/74/76/387627476.db2.gz PZBHGRBGLXWIRP-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO COCC(C)(C)C[N@H+](C)Cc1nnc[nH]1 ZINC000426393625 387562637 /nfs/dbraw/zinc/56/26/37/387562637.db2.gz GJCBMLUJUCNRRT-UHFFFAOYSA-N 1 2 212.297 0.909 20 0 BCADLO COCC(C)(C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000426393625 387562641 /nfs/dbraw/zinc/56/26/41/387562641.db2.gz GJCBMLUJUCNRRT-UHFFFAOYSA-N 1 2 212.297 0.909 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cncnc1 ZINC000362071638 387567100 /nfs/dbraw/zinc/56/71/00/387567100.db2.gz ZJOXJETUEJWDMR-BJOHPYRUSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cncnc1 ZINC000362071638 387567105 /nfs/dbraw/zinc/56/71/05/387567105.db2.gz ZJOXJETUEJWDMR-BJOHPYRUSA-N 1 2 227.333 0.675 20 0 BCADLO COC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362087919 387570647 /nfs/dbraw/zinc/57/06/47/387570647.db2.gz OHXLEZCCSNEKHR-IUCAKERBSA-N 1 2 233.333 0.391 20 0 BCADLO C[C@H](C(=O)N1[C@H](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000527473255 387571315 /nfs/dbraw/zinc/57/13/15/387571315.db2.gz FHHBBMOOPGTYMI-IJLUTSLNSA-N 1 2 239.363 0.632 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000362085496 387571702 /nfs/dbraw/zinc/57/17/02/387571702.db2.gz HHFNNDCKTUSDJA-MNOVXSKESA-N 1 2 222.292 0.568 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000362085496 387571703 /nfs/dbraw/zinc/57/17/03/387571703.db2.gz HHFNNDCKTUSDJA-MNOVXSKESA-N 1 2 222.292 0.568 20 0 BCADLO COC(=O)[C@H](C)CN1CCc2c([nH+]cn2C)C1 ZINC000375720936 387573161 /nfs/dbraw/zinc/57/31/61/387573161.db2.gz CHLADWYWOMTGFM-SECBINFHSA-N 1 2 237.303 0.587 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000332745118 387573195 /nfs/dbraw/zinc/57/31/95/387573195.db2.gz BZVZTCYQHBWCOP-KOLCDFICSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332813286 387574353 /nfs/dbraw/zinc/57/43/53/387574353.db2.gz PRSCMTAICGHRCP-ZANVPECISA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332813286 387574357 /nfs/dbraw/zinc/57/43/57/387574357.db2.gz PRSCMTAICGHRCP-ZANVPECISA-N 1 2 249.314 0.544 20 0 BCADLO C[C@H](O)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000126807930 387694368 /nfs/dbraw/zinc/69/43/68/387694368.db2.gz ZKNMFDHPLTXNTI-JTQLQIEISA-N 1 2 245.282 0.983 20 0 BCADLO CCN(C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000124850524 387633009 /nfs/dbraw/zinc/63/30/09/387633009.db2.gz VXNZAASXPLMCNZ-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H](COC)C2)no1 ZINC000356260858 387633912 /nfs/dbraw/zinc/63/39/12/387633912.db2.gz ZLUYKXOWHQNDKD-SECBINFHSA-N 1 2 241.291 0.684 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H](COC)C2)no1 ZINC000356260858 387633919 /nfs/dbraw/zinc/63/39/19/387633919.db2.gz ZLUYKXOWHQNDKD-SECBINFHSA-N 1 2 241.291 0.684 20 0 BCADLO CCC[C@H](OCC)C(=O)N1CC[NH+](C)CC1 ZINC000527633650 387645252 /nfs/dbraw/zinc/64/52/52/387645252.db2.gz PMSRWXGMMMCBDS-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOC1CCC1 ZINC000376515662 387647027 /nfs/dbraw/zinc/64/70/27/387647027.db2.gz SVVRCGDLBIMOCL-KOLCDFICSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOC1CCC1 ZINC000376515662 387647029 /nfs/dbraw/zinc/64/70/29/387647029.db2.gz SVVRCGDLBIMOCL-KOLCDFICSA-N 1 2 243.303 0.164 20 0 BCADLO CCN(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356355588 387647848 /nfs/dbraw/zinc/64/78/48/387647848.db2.gz MOZWPUKJVYAQHL-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCN(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356355588 387647852 /nfs/dbraw/zinc/64/78/52/387647852.db2.gz MOZWPUKJVYAQHL-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO Cn1nccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305788322 387653080 /nfs/dbraw/zinc/65/30/80/387653080.db2.gz YZHLSNBYSOIBSH-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO Cn1nccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305788322 387653083 /nfs/dbraw/zinc/65/30/83/387653083.db2.gz YZHLSNBYSOIBSH-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO COCc1noc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000305802662 387655120 /nfs/dbraw/zinc/65/51/20/387655120.db2.gz GNQIQHRQKXDXNB-VIFPVBQESA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000305802662 387655123 /nfs/dbraw/zinc/65/51/23/387655123.db2.gz GNQIQHRQKXDXNB-VIFPVBQESA-N 1 2 241.291 0.563 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000305819660 387657588 /nfs/dbraw/zinc/65/75/88/387657588.db2.gz PZAMRZYWFBZIOD-VIFPVBQESA-N 1 2 237.303 0.648 20 0 BCADLO COC(=O)CC1(C[NH2+]C(C)(C)C(=O)OC)CC1 ZINC000440706496 387674970 /nfs/dbraw/zinc/67/49/70/387674970.db2.gz UIVYWSQJMAKJJD-UHFFFAOYSA-N 1 2 243.303 0.871 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000440713012 387677002 /nfs/dbraw/zinc/67/70/02/387677002.db2.gz NMISWUDTHSBONI-HLTSFMKQSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000440713012 387677005 /nfs/dbraw/zinc/67/70/05/387677005.db2.gz NMISWUDTHSBONI-HLTSFMKQSA-N 1 2 219.256 0.343 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915886 387678979 /nfs/dbraw/zinc/67/89/79/387678979.db2.gz VWKQVSPRMHSFRP-XPUUQOCRSA-N 1 2 241.209 0.405 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915886 387678988 /nfs/dbraw/zinc/67/89/88/387678988.db2.gz VWKQVSPRMHSFRP-XPUUQOCRSA-N 1 2 241.209 0.405 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000440710590 387679238 /nfs/dbraw/zinc/67/92/38/387679238.db2.gz LTZTYYOELGFZDQ-AEJSXWLSSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000440710590 387679243 /nfs/dbraw/zinc/67/92/43/387679243.db2.gz LTZTYYOELGFZDQ-AEJSXWLSSA-N 1 2 233.283 0.997 20 0 BCADLO CC(C)[N@@H+](Cc1ncnn1CCF)C[C@@H](C)O ZINC000440715936 387680503 /nfs/dbraw/zinc/68/05/03/387680503.db2.gz UFZBTADMVANPAK-SNVBAGLBSA-N 1 2 244.314 0.839 20 0 BCADLO CC(C)[N@H+](Cc1ncnn1CCF)C[C@@H](C)O ZINC000440715936 387680510 /nfs/dbraw/zinc/68/05/10/387680510.db2.gz UFZBTADMVANPAK-SNVBAGLBSA-N 1 2 244.314 0.839 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(=O)COC)CC1 ZINC000440717933 387680879 /nfs/dbraw/zinc/68/08/79/387680879.db2.gz WBPNDKPPTSBTMX-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO Cn1ccc(CNc2[nH+]cnc3c2cnn3C)n1 ZINC000212149006 387696327 /nfs/dbraw/zinc/69/63/27/387696327.db2.gz MTXWKDKUJOCWEY-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO CCn1ncc(CNCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000527733893 387682336 /nfs/dbraw/zinc/68/23/36/387682336.db2.gz IAGFMGSOMSQJLS-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000363018063 387686759 /nfs/dbraw/zinc/68/67/59/387686759.db2.gz MZSVVZZLHWVENH-VIFPVBQESA-N 1 2 238.291 0.477 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1nnc[nH]1 ZINC000267741750 387747334 /nfs/dbraw/zinc/74/73/34/387747334.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1nnc[nH]1 ZINC000267741750 387747339 /nfs/dbraw/zinc/74/73/39/387747339.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 1 2 223.280 0.076 20 0 BCADLO CNC(=O)CN(C)c1[nH+]cccc1OC ZINC000527829759 387748308 /nfs/dbraw/zinc/74/83/08/387748308.db2.gz BBJJFFRLPHEORD-UHFFFAOYSA-N 1 2 209.249 0.272 20 0 BCADLO COc1ccc[nH+]c1N(C)CC(=O)N(C)C ZINC000527829045 387748738 /nfs/dbraw/zinc/74/87/38/387748738.db2.gz RMHROXCPIWKDIV-UHFFFAOYSA-N 1 2 223.276 0.615 20 0 BCADLO Cn1cc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000128730121 387754552 /nfs/dbraw/zinc/75/45/52/387754552.db2.gz ZJFDTVVVPLUHRG-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000440779046 387697341 /nfs/dbraw/zinc/69/73/41/387697341.db2.gz FRUQGXLQWZRVDI-GHMZBOCLSA-N 1 2 232.299 0.571 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000440779046 387697342 /nfs/dbraw/zinc/69/73/42/387697342.db2.gz FRUQGXLQWZRVDI-GHMZBOCLSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@H](F)CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000356682285 387698246 /nfs/dbraw/zinc/69/82/46/387698246.db2.gz KSMLJPWOWORTKS-QWRGUYRKSA-N 1 2 245.342 0.487 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527759763 387698579 /nfs/dbraw/zinc/69/85/79/387698579.db2.gz VEOUCGNEUHCETD-MNOVXSKESA-N 1 2 225.292 0.348 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1ncnn1CCF ZINC000440790620 387700553 /nfs/dbraw/zinc/70/05/53/387700553.db2.gz LNRVFQMNEDJTIN-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1ncnn1CCF ZINC000440790620 387700558 /nfs/dbraw/zinc/70/05/58/387700558.db2.gz LNRVFQMNEDJTIN-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000431386940 387704387 /nfs/dbraw/zinc/70/43/87/387704387.db2.gz QESDQVJPLJNEKT-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000431386940 387704389 /nfs/dbraw/zinc/70/43/89/387704389.db2.gz QESDQVJPLJNEKT-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000452038080 387708128 /nfs/dbraw/zinc/70/81/28/387708128.db2.gz XANFGIAKXGVLDG-RKDXNWHRSA-N 1 2 240.307 0.948 20 0 BCADLO COC[C@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000452041049 387711146 /nfs/dbraw/zinc/71/11/46/387711146.db2.gz ROUHXXVDPSRMED-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO COC[C@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000452041049 387711151 /nfs/dbraw/zinc/71/11/51/387711151.db2.gz ROUHXXVDPSRMED-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO COC[C@@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000432109693 387755192 /nfs/dbraw/zinc/75/51/92/387755192.db2.gz UBRZNFQCKIRNOD-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO CN(C)S(=O)(=O)CCCOc1cc[nH+]cc1 ZINC000431513041 387713532 /nfs/dbraw/zinc/71/35/32/387713532.db2.gz JHIBCGQUFHVKLX-UHFFFAOYSA-N 1 2 244.316 0.742 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367478038 387715636 /nfs/dbraw/zinc/71/56/36/387715636.db2.gz XNQCQQZPFJPNJE-HTQZYQBOSA-N 1 2 236.262 0.117 20 0 BCADLO C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377486383 387720538 /nfs/dbraw/zinc/72/05/38/387720538.db2.gz UMCMVMYBONBXCZ-ZETCQYMHSA-N 1 2 226.280 0.071 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000377500865 387723763 /nfs/dbraw/zinc/72/37/63/387723763.db2.gz GFURTWGRHHIBSK-VIFPVBQESA-N 1 2 247.306 0.313 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000377500865 387723766 /nfs/dbraw/zinc/72/37/66/387723766.db2.gz GFURTWGRHHIBSK-VIFPVBQESA-N 1 2 247.306 0.313 20 0 BCADLO CCC[C@@]1(CO)CC[N@H+](Cc2ncnn2C)C1 ZINC000377553758 387727060 /nfs/dbraw/zinc/72/70/60/387727060.db2.gz JUAWINGFPLKISN-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO CCC[C@@]1(CO)CC[N@@H+](Cc2ncnn2C)C1 ZINC000377553758 387727062 /nfs/dbraw/zinc/72/70/62/387727062.db2.gz JUAWINGFPLKISN-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452081433 387727250 /nfs/dbraw/zinc/72/72/50/387727250.db2.gz IOTSDVOGBDLSIN-RKDXNWHRSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452081433 387727253 /nfs/dbraw/zinc/72/72/53/387727253.db2.gz IOTSDVOGBDLSIN-RKDXNWHRSA-N 1 2 218.272 0.311 20 0 BCADLO CN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000431901960 387738727 /nfs/dbraw/zinc/73/87/27/387738727.db2.gz ZDGPMGJFJADRRG-MRVPVSSYSA-N 1 2 223.276 0.280 20 0 BCADLO COC(=O)CCCN1CCc2c([nH+]cn2C)C1 ZINC000377694591 387739924 /nfs/dbraw/zinc/73/99/24/387739924.db2.gz PEPQTNZDFHQOPV-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2c(ncn2C)C1 ZINC000377694591 387739931 /nfs/dbraw/zinc/73/99/31/387739931.db2.gz PEPQTNZDFHQOPV-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2c(ncn2C)C1 ZINC000377694591 387739939 /nfs/dbraw/zinc/73/99/39/387739939.db2.gz PEPQTNZDFHQOPV-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO CCOCC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424145034 387762970 /nfs/dbraw/zinc/76/29/70/387762970.db2.gz YJFYTDBNARUCAL-MRVPVSSYSA-N 1 2 239.262 0.086 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](O)c1cnn(C)c1 ZINC000527907246 387765139 /nfs/dbraw/zinc/76/51/39/387765139.db2.gz VBRAWCXKKOFDFG-JTQLQIEISA-N 1 2 248.286 0.969 20 0 BCADLO Cn1nccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378344717 387779271 /nfs/dbraw/zinc/77/92/71/387779271.db2.gz BXPTWURNDXWBBJ-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO Cn1nccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378344717 387779274 /nfs/dbraw/zinc/77/92/74/387779274.db2.gz BXPTWURNDXWBBJ-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)CC[C@H]2C1 ZINC000527942086 387781886 /nfs/dbraw/zinc/78/18/86/387781886.db2.gz BDHCIRGPLZFPHG-JTQLQIEISA-N 1 2 247.298 0.901 20 0 BCADLO CCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000378480070 387786504 /nfs/dbraw/zinc/78/65/04/387786504.db2.gz DTRMMFDDLGGDAI-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000378480070 387786508 /nfs/dbraw/zinc/78/65/08/387786508.db2.gz DTRMMFDDLGGDAI-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1[nH+]cccc1OC ZINC000527916057 387786797 /nfs/dbraw/zinc/78/67/97/387786797.db2.gz WULCUBRPRSLTOS-VIFPVBQESA-N 1 2 237.303 0.909 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCC(C)=O ZINC000378487680 387787264 /nfs/dbraw/zinc/78/72/64/387787264.db2.gz JEOJIBKMZWSUDZ-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCC(C)=O ZINC000378487680 387787265 /nfs/dbraw/zinc/78/72/65/387787265.db2.gz JEOJIBKMZWSUDZ-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO COCC[N@H+](CCO)Cc1cocn1 ZINC000432746403 387813014 /nfs/dbraw/zinc/81/30/14/387813014.db2.gz HSSJTEGFACCEJO-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO COCC[N@@H+](CCO)Cc1cocn1 ZINC000432746403 387813018 /nfs/dbraw/zinc/81/30/18/387813018.db2.gz HSSJTEGFACCEJO-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@]2(CNC(=O)C2)C1 ZINC000527989226 387804365 /nfs/dbraw/zinc/80/43/65/387804365.db2.gz AOUTYYFVNJTACE-ZDUSSCGKSA-N 1 2 247.298 0.807 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC(C)(C)O ZINC000193758647 387804580 /nfs/dbraw/zinc/80/45/80/387804580.db2.gz ZXSWTBOUQINBRT-UHFFFAOYSA-N 1 2 221.264 0.639 20 0 BCADLO CC[C@@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000193756235 387805108 /nfs/dbraw/zinc/80/51/08/387805108.db2.gz QHCFYHRZCDDKOT-SSDOTTSWSA-N 1 2 221.264 0.639 20 0 BCADLO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)C(=O)OC ZINC000432630326 387806682 /nfs/dbraw/zinc/80/66/82/387806682.db2.gz JTZDETDWSGYGAQ-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000157503969 387808179 /nfs/dbraw/zinc/80/81/79/387808179.db2.gz YSYMSELUFYDLFW-OCAPTIKFSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000157503969 387808185 /nfs/dbraw/zinc/80/81/85/387808185.db2.gz YSYMSELUFYDLFW-OCAPTIKFSA-N 1 2 226.280 0.062 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H](C)O ZINC000194830866 387808866 /nfs/dbraw/zinc/80/88/66/387808866.db2.gz NQTFHLSZVWIXLV-LPEHRKFASA-N 1 2 229.276 0.191 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCn3ncnc32)c[nH+]1 ZINC000267837436 387809193 /nfs/dbraw/zinc/80/91/93/387809193.db2.gz KGRLPGIAPHBXGU-MRVPVSSYSA-N 1 2 246.274 0.575 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](NC(C)=O)C1 ZINC000528038358 387820558 /nfs/dbraw/zinc/82/05/58/387820558.db2.gz SVYNLWNZKCLSEH-SNVBAGLBSA-N 1 2 235.287 0.805 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC000645844848 387824181 /nfs/dbraw/zinc/82/41/81/387824181.db2.gz QLYAULXPGNYCNJ-WCBMZHEXSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC000645844848 387824185 /nfs/dbraw/zinc/82/41/85/387824185.db2.gz QLYAULXPGNYCNJ-WCBMZHEXSA-N 1 2 236.319 0.505 20 0 BCADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cocn1 ZINC000432922121 387841794 /nfs/dbraw/zinc/84/17/94/387841794.db2.gz JXLYPWZKHRQJML-NSHDSACASA-N 1 2 242.275 0.732 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@H](O)C(C)C ZINC000432922954 387841857 /nfs/dbraw/zinc/84/18/57/387841857.db2.gz CDMPTOMAFRMRAM-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@H](O)C(C)C ZINC000432922954 387841860 /nfs/dbraw/zinc/84/18/60/387841860.db2.gz CDMPTOMAFRMRAM-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO C[N@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432942597 387842916 /nfs/dbraw/zinc/84/29/16/387842916.db2.gz BMCVUSRHLGZMKO-UHFFFAOYSA-N 1 2 212.297 0.526 20 0 BCADLO C[N@@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432942597 387842921 /nfs/dbraw/zinc/84/29/21/387842921.db2.gz BMCVUSRHLGZMKO-UHFFFAOYSA-N 1 2 212.297 0.526 20 0 BCADLO CC[C@@H](NC(=O)C1CC(=O)C1)c1[nH]cc[nH+]1 ZINC000442803718 387842889 /nfs/dbraw/zinc/84/28/89/387842889.db2.gz USHZSRCINHHLSK-SECBINFHSA-N 1 2 221.260 0.956 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccn(C)c1=O ZINC000061752042 387845648 /nfs/dbraw/zinc/84/56/48/387845648.db2.gz FPLDBNKOYIGZBP-VIFPVBQESA-N 1 2 233.275 0.477 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000061707768 387845900 /nfs/dbraw/zinc/84/59/00/387845900.db2.gz GKNGLIOGKDQRKL-MRVPVSSYSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000061707768 387845903 /nfs/dbraw/zinc/84/59/03/387845903.db2.gz GKNGLIOGKDQRKL-MRVPVSSYSA-N 1 2 235.243 0.896 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC[S@@](=O)C1 ZINC000433029281 387853473 /nfs/dbraw/zinc/85/34/73/387853473.db2.gz RQPBVVWNDKTFQH-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[S@](=O)C1 ZINC000433034676 387853533 /nfs/dbraw/zinc/85/35/33/387853533.db2.gz ZNTJQWCLABSJQW-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[S@](=O)C1 ZINC000433034676 387853536 /nfs/dbraw/zinc/85/35/36/387853536.db2.gz ZNTJQWCLABSJQW-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[S@@](=O)C1 ZINC000433034677 387853749 /nfs/dbraw/zinc/85/37/49/387853749.db2.gz ZNTJQWCLABSJQW-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[S@@](=O)C1 ZINC000433034677 387853751 /nfs/dbraw/zinc/85/37/51/387853751.db2.gz ZNTJQWCLABSJQW-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[S@](=O)C1 ZINC000433034678 387854361 /nfs/dbraw/zinc/85/43/61/387854361.db2.gz ZNTJQWCLABSJQW-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[S@](=O)C1 ZINC000433034678 387854364 /nfs/dbraw/zinc/85/43/64/387854364.db2.gz ZNTJQWCLABSJQW-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO Cc1cncc(C[N@@H+]2CCn3ncnc3C2)c1 ZINC000442875158 387856003 /nfs/dbraw/zinc/85/60/03/387856003.db2.gz OELUJXNOINRAIP-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cncc(C[N@H+]2CCn3ncnc3C2)c1 ZINC000442875158 387856009 /nfs/dbraw/zinc/85/60/09/387856009.db2.gz OELUJXNOINRAIP-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COc1ccc[nH+]c1N1CCO[C@@H]([C@@H](C)O)C1 ZINC000528035716 387818264 /nfs/dbraw/zinc/81/82/64/387818264.db2.gz JQLDRRXTRCIIIY-MWLCHTKSSA-N 1 2 238.287 0.676 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H](O)C1 ZINC000236546071 387895335 /nfs/dbraw/zinc/89/53/35/387895335.db2.gz VDGQPWKXFUJZQX-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1cc(N2CC(C(C)(C)O)C2)nc[nH+]1 ZINC000443988809 387881252 /nfs/dbraw/zinc/88/12/52/387881252.db2.gz MZFWWJBGKZPZDB-UHFFFAOYSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000194612457 387885923 /nfs/dbraw/zinc/88/59/23/387885923.db2.gz MFHRUUSXRLQAHW-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000194612457 387885927 /nfs/dbraw/zinc/88/59/27/387885927.db2.gz MFHRUUSXRLQAHW-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccncn1 ZINC000548639343 387887135 /nfs/dbraw/zinc/88/71/35/387887135.db2.gz AGEFIVAXOXPCLG-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO Cn1nnc(C[NH2+]C[C@H](O)C2CCCCC2)n1 ZINC000648443531 387910293 /nfs/dbraw/zinc/91/02/93/387910293.db2.gz PAYQWXIUXJSNFF-JTQLQIEISA-N 1 2 239.323 0.241 20 0 BCADLO COc1ccnc(C[NH2+]Cc2c[nH]nc2C)n1 ZINC000424189518 387912978 /nfs/dbraw/zinc/91/29/78/387912978.db2.gz MGPDYJFGPRYNMJ-UHFFFAOYSA-N 1 2 233.275 0.807 20 0 BCADLO O=C(Nc1cnn(C(F)F)c1)[C@@H]1COCC[NH2+]1 ZINC000424196120 387922337 /nfs/dbraw/zinc/92/23/37/387922337.db2.gz UUEZUVRAWLBVGH-ZETCQYMHSA-N 1 2 246.217 0.205 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000438544553 387943173 /nfs/dbraw/zinc/94/31/73/387943173.db2.gz JCTMIFCJFHSZNT-UWVGGRQHSA-N 1 2 234.307 0.751 20 0 BCADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245435008 387944685 /nfs/dbraw/zinc/94/46/85/387944685.db2.gz QDZVVWCDRQRWMW-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245435008 387944689 /nfs/dbraw/zinc/94/46/89/387944689.db2.gz QDZVVWCDRQRWMW-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO COCCCN(CCO)c1cc(C)[nH+]cn1 ZINC000445603132 387950237 /nfs/dbraw/zinc/95/02/37/387950237.db2.gz ATEACOISBBUZKT-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO COC[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000445746800 387963336 /nfs/dbraw/zinc/96/33/36/387963336.db2.gz BKKMNEMLLVZOMF-JTQLQIEISA-N 1 2 225.292 0.672 20 0 BCADLO CCCc1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000158868606 387969017 /nfs/dbraw/zinc/96/90/17/387969017.db2.gz ZOPKIYZQTQUDLB-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCCc1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000158868606 387969020 /nfs/dbraw/zinc/96/90/20/387969020.db2.gz ZOPKIYZQTQUDLB-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000438768410 387957122 /nfs/dbraw/zinc/95/71/22/387957122.db2.gz UNIGBIJRUYFHIH-UHFFFAOYSA-N 1 2 249.314 0.616 20 0 BCADLO CCCOCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000065548921 387978180 /nfs/dbraw/zinc/97/81/80/387978180.db2.gz RHOUWMAQKYBNEU-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2ncsc2C1 ZINC000446066444 387990546 /nfs/dbraw/zinc/99/05/46/387990546.db2.gz KWIMEDUBLAOBAY-MRVPVSSYSA-N 1 2 239.344 0.978 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2ncsc2C1 ZINC000446066444 387990548 /nfs/dbraw/zinc/99/05/48/387990548.db2.gz KWIMEDUBLAOBAY-MRVPVSSYSA-N 1 2 239.344 0.978 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000446068860 387992298 /nfs/dbraw/zinc/99/22/98/387992298.db2.gz GGIYITHMMHYZAJ-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000446068860 387992301 /nfs/dbraw/zinc/99/23/01/387992301.db2.gz GGIYITHMMHYZAJ-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446079964 387997665 /nfs/dbraw/zinc/99/76/65/387997665.db2.gz KPZVIVSOMCKJTP-AXFHLTTASA-N 1 2 228.336 0.962 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446079964 387997668 /nfs/dbraw/zinc/99/76/68/387997668.db2.gz KPZVIVSOMCKJTP-AXFHLTTASA-N 1 2 228.336 0.962 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@H](O)C1 ZINC000439425618 387998036 /nfs/dbraw/zinc/99/80/36/387998036.db2.gz WZLVHKXUBYBYSN-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC[C@@H](O)C1 ZINC000439425622 387998716 /nfs/dbraw/zinc/99/87/16/387998716.db2.gz WZLVHKXUBYBYSN-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO COC(=O)c1sc([C@@H]2COCC[NH2+]2)nc1C ZINC000446145126 388002841 /nfs/dbraw/zinc/00/28/41/388002841.db2.gz FMDBVALZTYEJPD-ZETCQYMHSA-N 1 2 242.300 0.899 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258587 388004002 /nfs/dbraw/zinc/00/40/02/388004002.db2.gz FQVOOGPXXZIEEW-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258587 388004005 /nfs/dbraw/zinc/00/40/05/388004005.db2.gz FQVOOGPXXZIEEW-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO COCCn1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000439524797 388007463 /nfs/dbraw/zinc/00/74/63/388007463.db2.gz YUYPPYYSASNZKG-UHFFFAOYSA-N 1 2 249.274 0.183 20 0 BCADLO COCCn1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000439524797 388007468 /nfs/dbraw/zinc/00/74/68/388007468.db2.gz YUYPPYYSASNZKG-UHFFFAOYSA-N 1 2 249.274 0.183 20 0 BCADLO O=C(C[N@@H+]1CCc2ncsc2C1)NC1CC1 ZINC000446083512 387996445 /nfs/dbraw/zinc/99/64/45/387996445.db2.gz TXYWXQMBPOZBLN-UHFFFAOYSA-N 1 2 237.328 0.780 20 0 BCADLO O=C(C[N@H+]1CCc2ncsc2C1)NC1CC1 ZINC000446083512 387996448 /nfs/dbraw/zinc/99/64/48/387996448.db2.gz TXYWXQMBPOZBLN-UHFFFAOYSA-N 1 2 237.328 0.780 20 0 BCADLO Cc1ncccc1C(=O)N1CC[NH+](C)CC1 ZINC000082303768 388025880 /nfs/dbraw/zinc/02/58/80/388025880.db2.gz ZLSUQBCWRXEAMB-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnccn1 ZINC000082258592 388019377 /nfs/dbraw/zinc/01/93/77/388019377.db2.gz JLBJJLNRPQJUIE-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1cccnc1 ZINC000082269838 388020533 /nfs/dbraw/zinc/02/05/33/388020533.db2.gz ZLNKKEONHXFGPC-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440118558 388032262 /nfs/dbraw/zinc/03/22/62/388032262.db2.gz NGPSSGRDKHVTQP-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000440499443 388044205 /nfs/dbraw/zinc/04/42/05/388044205.db2.gz NMISWUDTHSBONI-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000440499443 388044209 /nfs/dbraw/zinc/04/42/09/388044209.db2.gz NMISWUDTHSBONI-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440118557 388031809 /nfs/dbraw/zinc/03/18/09/388031809.db2.gz NGPSSGRDKHVTQP-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C[C@H]1CCCO1 ZINC000440531223 388052997 /nfs/dbraw/zinc/05/29/97/388052997.db2.gz LWJZHTQLYVVVIH-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C[C@H]1CCCO1 ZINC000440531223 388053001 /nfs/dbraw/zinc/05/30/01/388053001.db2.gz LWJZHTQLYVVVIH-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000440689230 388066794 /nfs/dbraw/zinc/06/67/94/388066794.db2.gz ANTYNJOCBJVXOA-GHMZBOCLSA-N 1 2 242.298 0.727 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000440689230 388066798 /nfs/dbraw/zinc/06/67/98/388066798.db2.gz ANTYNJOCBJVXOA-GHMZBOCLSA-N 1 2 242.298 0.727 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000083995428 388068918 /nfs/dbraw/zinc/06/89/18/388068918.db2.gz JLXYFPJYWHBJSU-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](O)C1 ZINC000083995428 388068921 /nfs/dbraw/zinc/06/89/21/388068921.db2.gz JLXYFPJYWHBJSU-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CN1C(=O)CC[C@@H]([NH2+]Cc2cscn2)C1=O ZINC000084406642 388077706 /nfs/dbraw/zinc/07/77/06/388077706.db2.gz QPTOGJHLRPZJSZ-MRVPVSSYSA-N 1 2 239.300 0.380 20 0 BCADLO CC[C@@](C)(CNc1nc(C)[nH+]c(N)n1)OC ZINC000322890135 388077799 /nfs/dbraw/zinc/07/77/99/388077799.db2.gz XVGLMOIIMJSWPD-JTQLQIEISA-N 1 2 225.296 0.989 20 0 BCADLO CC[C@@](C)(CNc1nc(N)nc(C)[nH+]1)OC ZINC000322890135 388077802 /nfs/dbraw/zinc/07/78/02/388077802.db2.gz XVGLMOIIMJSWPD-JTQLQIEISA-N 1 2 225.296 0.989 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000645925419 388086341 /nfs/dbraw/zinc/08/63/41/388086341.db2.gz QBVCNJIORCOKFW-QMMMGPOBSA-N 1 2 238.291 0.131 20 0 BCADLO Cc1noc(CCC[N@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000645925419 388086344 /nfs/dbraw/zinc/08/63/44/388086344.db2.gz QBVCNJIORCOKFW-QMMMGPOBSA-N 1 2 238.291 0.131 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCC(C)(C)O ZINC000336660357 388093587 /nfs/dbraw/zinc/09/35/87/388093587.db2.gz BVYAFFNXVUKHDD-UHFFFAOYSA-N 1 2 212.297 0.408 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCC(C)(C)O ZINC000336660357 388093589 /nfs/dbraw/zinc/09/35/89/388093589.db2.gz BVYAFFNXVUKHDD-UHFFFAOYSA-N 1 2 212.297 0.408 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)nc1 ZINC000447800411 388094306 /nfs/dbraw/zinc/09/43/06/388094306.db2.gz SJMCVDZXERCGBP-JTQLQIEISA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C(C)(C)C2)nc1 ZINC000447800411 388094308 /nfs/dbraw/zinc/09/43/08/388094308.db2.gz SJMCVDZXERCGBP-JTQLQIEISA-N 1 2 221.304 0.988 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844491 388095010 /nfs/dbraw/zinc/09/50/10/388095010.db2.gz MQQJNKANKXPURW-DTWKUNHWSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844491 388095011 /nfs/dbraw/zinc/09/50/11/388095011.db2.gz MQQJNKANKXPURW-DTWKUNHWSA-N 1 2 240.307 0.636 20 0 BCADLO CC1(C)C[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440497837 388045385 /nfs/dbraw/zinc/04/53/85/388045385.db2.gz ILLXPGLQRZTFLT-SECBINFHSA-N 1 2 242.298 0.450 20 0 BCADLO CC1(C)C[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440497837 388045391 /nfs/dbraw/zinc/04/53/91/388045391.db2.gz ILLXPGLQRZTFLT-SECBINFHSA-N 1 2 242.298 0.450 20 0 BCADLO COC(=O)CC1(C[N@H+](C)[C@H](C)C(=O)OC)CC1 ZINC000440507313 388046949 /nfs/dbraw/zinc/04/69/49/388046949.db2.gz AIPMBENEOWFCIR-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)CC1(C[N@@H+](C)[C@H](C)C(=O)OC)CC1 ZINC000440507313 388046951 /nfs/dbraw/zinc/04/69/51/388046951.db2.gz AIPMBENEOWFCIR-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO OCC[C@@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000440509407 388047144 /nfs/dbraw/zinc/04/71/44/388047144.db2.gz JFFVPDTVEGSJID-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO OCC[C@@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000440509407 388047147 /nfs/dbraw/zinc/04/71/47/388047147.db2.gz JFFVPDTVEGSJID-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO CCOC[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000447014644 388048313 /nfs/dbraw/zinc/04/83/13/388048313.db2.gz DBZGVFIJAGKOEF-QMMMGPOBSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H]1CC[C@@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000440530316 388048526 /nfs/dbraw/zinc/04/85/26/388048526.db2.gz YFTCONLEHHOSQR-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000440530316 388048527 /nfs/dbraw/zinc/04/85/27/388048527.db2.gz YFTCONLEHHOSQR-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO CO[C@H]1C[NH+](Cc2cn[nH]c2C)C[C@@H]1OC ZINC000488557130 388187549 /nfs/dbraw/zinc/18/75/49/388187549.db2.gz KKTGJUVOEVWSSF-QWRGUYRKSA-N 1 2 225.292 0.564 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000449274095 388165395 /nfs/dbraw/zinc/16/53/95/388165395.db2.gz ASMKAJVAAILMOZ-HRDYMLBCSA-N 1 2 233.333 0.516 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccoc1)[C@@H](C)O ZINC000449271799 388165978 /nfs/dbraw/zinc/16/59/78/388165978.db2.gz UQBYJOVTOGSGNN-FXPVBKGRSA-N 1 2 241.287 0.723 20 0 BCADLO O=C(c1ccc[nH]c1=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260245 388171339 /nfs/dbraw/zinc/17/13/39/388171339.db2.gz BZQDJEPWTNBRGD-UHFFFAOYSA-N 1 2 244.254 0.709 20 0 BCADLO O=C(c1ccc[nH]c1=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260245 388171341 /nfs/dbraw/zinc/17/13/41/388171341.db2.gz BZQDJEPWTNBRGD-UHFFFAOYSA-N 1 2 244.254 0.709 20 0 BCADLO Cn1cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152111461 388175604 /nfs/dbraw/zinc/17/56/04/388175604.db2.gz JFAABMUOOJUTFV-NWDGAFQWSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152111461 388175605 /nfs/dbraw/zinc/17/56/05/388175605.db2.gz JFAABMUOOJUTFV-NWDGAFQWSA-N 1 2 249.314 0.180 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171002653 388116699 /nfs/dbraw/zinc/11/66/99/388116699.db2.gz RUCFWFGWUWHWEG-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171002653 388116701 /nfs/dbraw/zinc/11/67/01/388116701.db2.gz RUCFWFGWUWHWEG-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO CN(C[C@H]1CCCO1)c1[nH+]cnc2c1cnn2C ZINC000171069921 388120670 /nfs/dbraw/zinc/12/06/70/388120670.db2.gz RTCXDMGNQQBHHM-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171094300 388121234 /nfs/dbraw/zinc/12/12/34/388121234.db2.gz LUWVBIXIWUNZJX-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171094300 388121235 /nfs/dbraw/zinc/12/12/35/388121235.db2.gz LUWVBIXIWUNZJX-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO CO[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000171132459 388122061 /nfs/dbraw/zinc/12/20/61/388122061.db2.gz GNQIWRGHKAAVIE-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO CC[C@H](C)[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033559 388130168 /nfs/dbraw/zinc/13/01/68/388130168.db2.gz LFBBHZASCXGPFC-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@H](C)[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033559 388130170 /nfs/dbraw/zinc/13/01/70/388130170.db2.gz LFBBHZASCXGPFC-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000646044628 388130680 /nfs/dbraw/zinc/13/06/80/388130680.db2.gz IYHFCZCDNZJAOV-FTLITQJKSA-N 1 2 226.280 0.178 20 0 BCADLO CC(C)(C(N)=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000646046553 388131548 /nfs/dbraw/zinc/13/15/48/388131548.db2.gz AFSJRNZBDCLWMI-UHFFFAOYSA-N 1 2 246.270 0.784 20 0 BCADLO CCn1nnc(C)c1C[N@H+](C)CCNC(C)=O ZINC000646047431 388132505 /nfs/dbraw/zinc/13/25/05/388132505.db2.gz CYHVIEVHAZRQSH-UHFFFAOYSA-N 1 2 239.323 0.174 20 0 BCADLO CCn1nnc(C)c1C[N@@H+](C)CCNC(C)=O ZINC000646047431 388132506 /nfs/dbraw/zinc/13/25/06/388132506.db2.gz CYHVIEVHAZRQSH-UHFFFAOYSA-N 1 2 239.323 0.174 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1COCC1(C)C ZINC000646078859 388139061 /nfs/dbraw/zinc/13/90/61/388139061.db2.gz BOTJMQVTDQXWHV-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1nc(=NC(=O)[C@H]2[NH2+]CC2(C)C)s[nH]1 ZINC000646114076 388144698 /nfs/dbraw/zinc/14/46/98/388144698.db2.gz RPBGAGRMWCUZHM-ZCFIWIBFSA-N 1 2 226.305 0.205 20 0 BCADLO C[C@H]1C(=O)N(C)CN1CCn1cc[nH+]c1 ZINC000646127192 388149095 /nfs/dbraw/zinc/14/90/95/388149095.db2.gz XVVUUTAFVHZQJO-VIFPVBQESA-N 1 2 208.265 0.003 20 0 BCADLO OC[C@H]1CCN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641529165 388150997 /nfs/dbraw/zinc/15/09/97/388150997.db2.gz YSPADCXPCPLMCF-LDYMZIIASA-N 1 2 226.251 0.400 20 0 BCADLO COC(=O)N(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000490732756 388250527 /nfs/dbraw/zinc/25/05/27/388250527.db2.gz BTDKVQDETUZMIS-UHFFFAOYSA-N 1 2 237.259 0.449 20 0 BCADLO COCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490795923 388254740 /nfs/dbraw/zinc/25/47/40/388254740.db2.gz LMAPBVSXKNPRSL-SECBINFHSA-N 1 2 238.291 0.144 20 0 BCADLO CCc1cnc(C[N@@H+]2CCOC[C@H](O)C2)s1 ZINC000449413556 388198362 /nfs/dbraw/zinc/19/83/62/388198362.db2.gz HNTAJTNRJVNGQA-SECBINFHSA-N 1 2 242.344 0.899 20 0 BCADLO CCc1cnc(C[N@H+]2CCOC[C@H](O)C2)s1 ZINC000449413556 388198363 /nfs/dbraw/zinc/19/83/63/388198363.db2.gz HNTAJTNRJVNGQA-SECBINFHSA-N 1 2 242.344 0.899 20 0 BCADLO CCn1ncnc1C[N@H+](CCO)CCCOC ZINC000488990102 388201200 /nfs/dbraw/zinc/20/12/00/388201200.db2.gz XSRJHEVLKFJCFP-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCn1ncnc1C[N@@H+](CCO)CCCOC ZINC000488990102 388201202 /nfs/dbraw/zinc/20/12/02/388201202.db2.gz XSRJHEVLKFJCFP-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C(=O)OC(C)C)c[nH+]1 ZINC000456632660 388212042 /nfs/dbraw/zinc/21/20/42/388212042.db2.gz LZOUWYCOSXJVOK-ZETCQYMHSA-N 1 2 239.275 0.788 20 0 BCADLO Cc1nc(N2CCN(C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000489993110 388230371 /nfs/dbraw/zinc/23/03/71/388230371.db2.gz ZGLGNPDAVSJEDO-QMMMGPOBSA-N 1 2 220.276 0.452 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643006 388287263 /nfs/dbraw/zinc/28/72/63/388287263.db2.gz RPHOPGHZQHVTDR-JQWIXIFHSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643006 388287264 /nfs/dbraw/zinc/28/72/64/388287264.db2.gz RPHOPGHZQHVTDR-JQWIXIFHSA-N 1 2 240.347 0.748 20 0 BCADLO Cn1cc[nH+]c1C[S@@](=O)C[C@@H]1CCCO1 ZINC000491558586 388303923 /nfs/dbraw/zinc/30/39/23/388303923.db2.gz GJLQOFHQSSJXOO-VFZGTOFNSA-N 1 2 228.317 0.848 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)/C=C/C2CC2)CCO1 ZINC000491902576 388326933 /nfs/dbraw/zinc/32/69/33/388326933.db2.gz FJRMCLRQBZMYEI-ZWNMCFTASA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/C2CC2)CCO1 ZINC000491902576 388326934 /nfs/dbraw/zinc/32/69/34/388326934.db2.gz FJRMCLRQBZMYEI-ZWNMCFTASA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)/C=C\C2CC2)CCO1 ZINC000491902575 388327032 /nfs/dbraw/zinc/32/70/32/388327032.db2.gz FJRMCLRQBZMYEI-WYGGZMRJSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)/C=C\C2CC2)CCO1 ZINC000491902575 388327033 /nfs/dbraw/zinc/32/70/33/388327033.db2.gz FJRMCLRQBZMYEI-WYGGZMRJSA-N 1 2 238.331 0.790 20 0 BCADLO O=C(/C=C\c1ccc[nH]1)NCC[NH+]1CCOCC1 ZINC000491978289 388330329 /nfs/dbraw/zinc/33/03/29/388330329.db2.gz QJLMRUGJSMOMQS-ARJAWSKDSA-N 1 2 249.314 0.476 20 0 BCADLO C[N@H+](CC(N)=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000451327619 388261682 /nfs/dbraw/zinc/26/16/82/388261682.db2.gz SMEQQWRAURYEFV-SNVBAGLBSA-N 1 2 242.706 0.791 20 0 BCADLO C[N@@H+](CC(N)=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000451327619 388261684 /nfs/dbraw/zinc/26/16/84/388261684.db2.gz SMEQQWRAURYEFV-SNVBAGLBSA-N 1 2 242.706 0.791 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528982 135155374 /nfs/dbraw/zinc/15/53/74/135155374.db2.gz YNYJZFMASQCHCO-VQVTYTSYSA-N 1 2 204.220 0.508 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451439048 388274174 /nfs/dbraw/zinc/27/41/74/388274174.db2.gz NTRNIEBHGTYIGX-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451439048 388274175 /nfs/dbraw/zinc/27/41/75/388274175.db2.gz NTRNIEBHGTYIGX-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)[C@H]2C)[nH]1 ZINC000451462412 388276077 /nfs/dbraw/zinc/27/60/77/388276077.db2.gz TYXAPZGBEUNZLA-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)[C@H]2C)[nH]1 ZINC000451462412 388276079 /nfs/dbraw/zinc/27/60/79/388276079.db2.gz TYXAPZGBEUNZLA-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO CC[C@@H](CO)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492380994 388343004 /nfs/dbraw/zinc/34/30/04/388343004.db2.gz RSYWLIWWKKLMNN-OMMCCPJFSA-N 1 2 237.303 0.803 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CO1 ZINC000162241884 388348707 /nfs/dbraw/zinc/34/87/07/388348707.db2.gz KKVOWRAFOJKZFR-JGVFFNPUSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CO1 ZINC000162241884 388348708 /nfs/dbraw/zinc/34/87/08/388348708.db2.gz KKVOWRAFOJKZFR-JGVFFNPUSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000276485440 388349379 /nfs/dbraw/zinc/34/93/79/388349379.db2.gz GSNCYARPIINKGI-VIFPVBQESA-N 1 2 223.276 0.381 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524251966 388353240 /nfs/dbraw/zinc/35/32/40/388353240.db2.gz UXAXFLBNVJXRDH-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524251966 388353244 /nfs/dbraw/zinc/35/32/44/388353244.db2.gz UXAXFLBNVJXRDH-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000278405204 388354826 /nfs/dbraw/zinc/35/48/26/388354826.db2.gz LFBLQDCRRDSSKA-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO O=C(c1ccc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000524398532 388358512 /nfs/dbraw/zinc/35/85/12/388358512.db2.gz WYXQBCBDMOGSSX-UHFFFAOYSA-N 1 2 216.244 0.908 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000572706522 388368389 /nfs/dbraw/zinc/36/83/89/388368389.db2.gz QTOPERQCHYIUMK-GJMOJQLCSA-N 1 2 238.295 0.115 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000572706522 388368391 /nfs/dbraw/zinc/36/83/91/388368391.db2.gz QTOPERQCHYIUMK-GJMOJQLCSA-N 1 2 238.295 0.115 20 0 BCADLO C[C@H](C[S@@](C)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235489727 388370997 /nfs/dbraw/zinc/37/09/97/388370997.db2.gz PKRZYNQWNQUKNN-MQWCLQQTSA-N 1 2 248.739 0.891 20 0 BCADLO C[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000227849489 388371802 /nfs/dbraw/zinc/37/18/02/388371802.db2.gz MWMMUVMSZGGROE-BYPYZUCNSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000227849489 388371805 /nfs/dbraw/zinc/37/18/05/388371805.db2.gz MWMMUVMSZGGROE-BYPYZUCNSA-N 1 2 202.645 0.505 20 0 BCADLO CC[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000227840771 388371835 /nfs/dbraw/zinc/37/18/35/388371835.db2.gz MUNNIAUUNFDYDE-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO CC[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000227840771 388371838 /nfs/dbraw/zinc/37/18/38/388371838.db2.gz MUNNIAUUNFDYDE-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO Nc1[nH+]cnc(N2CCOCC2)c1Cl ZINC000227840654 388372131 /nfs/dbraw/zinc/37/21/31/388372131.db2.gz BZEXQAWFSIWPAO-UHFFFAOYSA-N 1 2 214.656 0.549 20 0 BCADLO Nc1nc[nH+]c(N2CCOCC2)c1Cl ZINC000227840654 388372135 /nfs/dbraw/zinc/37/21/35/388372135.db2.gz BZEXQAWFSIWPAO-UHFFFAOYSA-N 1 2 214.656 0.549 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cscn1 ZINC000519562497 256651363 /nfs/dbraw/zinc/65/13/63/256651363.db2.gz WWMLPMNGYVJQSP-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cscn1 ZINC000519562497 256651364 /nfs/dbraw/zinc/65/13/64/256651364.db2.gz WWMLPMNGYVJQSP-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO Nc1[nH+]cnc(NCC(F)(F)CO)c1Cl ZINC000236360826 388379029 /nfs/dbraw/zinc/37/90/29/388379029.db2.gz UNTUAFWWHCABAS-UHFFFAOYSA-N 1 2 238.625 0.752 20 0 BCADLO Nc1nc[nH+]c(NCC(F)(F)CO)c1Cl ZINC000236360826 388379034 /nfs/dbraw/zinc/37/90/34/388379034.db2.gz UNTUAFWWHCABAS-UHFFFAOYSA-N 1 2 238.625 0.752 20 0 BCADLO Nc1[nH+]cnc(N2CCCOCC2)c1Cl ZINC000236389420 388379233 /nfs/dbraw/zinc/37/92/33/388379233.db2.gz AUFHWKVSPOFNJC-UHFFFAOYSA-N 1 2 228.683 0.939 20 0 BCADLO Nc1nc[nH+]c(N2CCCOCC2)c1Cl ZINC000236389420 388379235 /nfs/dbraw/zinc/37/92/35/388379235.db2.gz AUFHWKVSPOFNJC-UHFFFAOYSA-N 1 2 228.683 0.939 20 0 BCADLO [NH3+][C@H](C(=O)N[C@@H]1CCSC1)c1cscn1 ZINC000572833347 388379661 /nfs/dbraw/zinc/37/96/61/388379661.db2.gz SKFDVNOFJRSTEN-SVRRBLITSA-N 1 2 243.357 0.765 20 0 BCADLO [NH3+][C@@H](C(=O)N[C@@H]1CCSC1)c1cscn1 ZINC000572833345 388379730 /nfs/dbraw/zinc/37/97/30/388379730.db2.gz SKFDVNOFJRSTEN-HTRCEHHLSA-N 1 2 243.357 0.765 20 0 BCADLO CCCCN(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000236725614 388382524 /nfs/dbraw/zinc/38/25/24/388382524.db2.gz JHSLCEIDZZQZEL-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C(C)C ZINC000218060057 388386444 /nfs/dbraw/zinc/38/64/44/388386444.db2.gz GISMVJXRWUCFSX-WCBMZHEXSA-N 1 2 228.292 0.052 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)C(=O)OC ZINC000236914825 388386650 /nfs/dbraw/zinc/38/66/50/388386650.db2.gz UHEBDEUTSNXOEN-YIZRAAEISA-N 1 2 230.308 0.428 20 0 BCADLO CC[C@H]([NH3+])C(=O)NCc1nc2ccccc2[nH]1 ZINC000236921491 388386835 /nfs/dbraw/zinc/38/68/35/388386835.db2.gz SHQDYCNIGKSVJQ-QMMMGPOBSA-N 1 2 232.287 0.916 20 0 BCADLO COC[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237159641 388390578 /nfs/dbraw/zinc/39/05/78/388390578.db2.gz MAFYSLFMMHDMCC-SSDOTTSWSA-N 1 2 209.249 0.885 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194904528 388455683 /nfs/dbraw/zinc/45/56/83/388455683.db2.gz RITLJNSVTXLYKB-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194904528 388455685 /nfs/dbraw/zinc/45/56/85/388455685.db2.gz RITLJNSVTXLYKB-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)C2(CF)CCC2)C1 ZINC000515848085 388468002 /nfs/dbraw/zinc/46/80/02/388468002.db2.gz BYBIQCGMXDXJIC-SNVBAGLBSA-N 1 2 244.310 0.573 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)C2(CF)CCC2)C1 ZINC000515848085 388468004 /nfs/dbraw/zinc/46/80/04/388468004.db2.gz BYBIQCGMXDXJIC-SNVBAGLBSA-N 1 2 244.310 0.573 20 0 BCADLO COC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000336726507 388470439 /nfs/dbraw/zinc/47/04/39/388470439.db2.gz CBHPENZIMLCWNR-VIFPVBQESA-N 1 2 221.256 0.622 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000195515153 388477019 /nfs/dbraw/zinc/47/70/19/388477019.db2.gz UWFNYWOZMJJSRQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC000195515153 388477021 /nfs/dbraw/zinc/47/70/21/388477021.db2.gz UWFNYWOZMJJSRQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC000195515153 388477022 /nfs/dbraw/zinc/47/70/22/388477022.db2.gz UWFNYWOZMJJSRQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO CCc1cnc(C[NH+](CCO)CCO)o1 ZINC000524757797 388407644 /nfs/dbraw/zinc/40/76/44/388407644.db2.gz CTKSAKQMOLYQAS-UHFFFAOYSA-N 1 2 214.265 0.024 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](O)CC ZINC000525270397 388423315 /nfs/dbraw/zinc/42/33/15/388423315.db2.gz IWADSSLJZNYWAS-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](O)CC ZINC000525270397 388423319 /nfs/dbraw/zinc/42/33/19/388423319.db2.gz IWADSSLJZNYWAS-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](O)CC ZINC000525270386 388423759 /nfs/dbraw/zinc/42/37/59/388423759.db2.gz IWADSSLJZNYWAS-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](O)CC ZINC000525270386 388423761 /nfs/dbraw/zinc/42/37/61/388423761.db2.gz IWADSSLJZNYWAS-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)[C@@H](CC)CO ZINC000393521207 388432244 /nfs/dbraw/zinc/43/22/44/388432244.db2.gz PYFLCYBLBYPLFA-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)[C@@H](CC)CO ZINC000393521207 388432248 /nfs/dbraw/zinc/43/22/48/388432248.db2.gz PYFLCYBLBYPLFA-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308205424 388434116 /nfs/dbraw/zinc/43/41/16/388434116.db2.gz YKYDYFQXJUYTDA-XLPZGREQSA-N 1 2 203.307 0.889 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC12CC2 ZINC000573239885 388434931 /nfs/dbraw/zinc/43/49/31/388434931.db2.gz QKTNDKUBAZHTAN-SECBINFHSA-N 1 2 220.276 0.772 20 0 BCADLO CCOC(=O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000573262874 388437209 /nfs/dbraw/zinc/43/72/09/388437209.db2.gz XYLHEIIKSPUEKR-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO Cc1nc(C[NH2+][C@@H](C)CS(C)(=O)=O)[nH]c1C ZINC000573267595 388437353 /nfs/dbraw/zinc/43/73/53/388437353.db2.gz MYFLBQYATAGSDI-ZETCQYMHSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1[nH]c(CN[C@@H](C)CS(C)(=O)=O)[nH+]c1C ZINC000573267595 388437357 /nfs/dbraw/zinc/43/73/57/388437357.db2.gz MYFLBQYATAGSDI-ZETCQYMHSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cs1 ZINC000352795726 388539090 /nfs/dbraw/zinc/53/90/90/388539090.db2.gz DUOYOUSOLZCCJM-ZJUUUORDSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cs1 ZINC000352795726 388539092 /nfs/dbraw/zinc/53/90/92/388539092.db2.gz DUOYOUSOLZCCJM-ZJUUUORDSA-N 1 2 228.317 0.643 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1noc(C)n1 ZINC000085903897 256776756 /nfs/dbraw/zinc/77/67/56/256776756.db2.gz GEEPSHMKVMNTFI-SNVBAGLBSA-N 1 2 229.280 0.255 20 0 BCADLO Cc1[nH]nc(C(=O)NCCc2c[nH+]cn2C)c1C ZINC000548460544 388540669 /nfs/dbraw/zinc/54/06/69/388540669.db2.gz CXEFRJCMDGBVTK-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528517597 388541521 /nfs/dbraw/zinc/54/15/21/388541521.db2.gz AVFNTJKCVNQAED-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528517597 388541522 /nfs/dbraw/zinc/54/15/22/388541522.db2.gz AVFNTJKCVNQAED-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1cn(C)nn1 ZINC000517213945 388542499 /nfs/dbraw/zinc/54/24/99/388542499.db2.gz WIQMZXUWYPDDSY-UHFFFAOYSA-N 1 2 244.262 0.045 20 0 BCADLO C[C@H](O)C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000354427755 388543233 /nfs/dbraw/zinc/54/32/33/388543233.db2.gz LKBMWKFCOYFEBH-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO Cn1nccc1CCC(=O)Nc1cc[nH+]cc1O ZINC000548513366 388545334 /nfs/dbraw/zinc/54/53/34/388545334.db2.gz WIOFQXTXLCABDY-UHFFFAOYSA-N 1 2 246.270 0.514 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC000548520684 388545766 /nfs/dbraw/zinc/54/57/66/388545766.db2.gz ZSXBBLHBHMRHLM-UHFFFAOYSA-N 1 2 207.277 0.974 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCOC1 ZINC000548515200 388545778 /nfs/dbraw/zinc/54/57/78/388545778.db2.gz CTRNTQLKLLZYHB-SNVBAGLBSA-N 1 2 237.303 0.505 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC000374075021 388483283 /nfs/dbraw/zinc/48/32/83/388483283.db2.gz PKAYXLVZYZZQDY-KCJUWKMLSA-N 1 2 239.319 0.781 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC000374075021 388483284 /nfs/dbraw/zinc/48/32/84/388483284.db2.gz PKAYXLVZYZZQDY-KCJUWKMLSA-N 1 2 239.319 0.781 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1csnn1 ZINC000547804421 388484501 /nfs/dbraw/zinc/48/45/01/388484501.db2.gz FWKJMBUYJZMXCY-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO Cc1nc(N2C[C@H](O)C3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000547960762 388498813 /nfs/dbraw/zinc/49/88/13/388498813.db2.gz KYSXWVHYBQQASR-VIFPVBQESA-N 1 2 249.318 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H](O)C3(CC3)C2)[nH+]1 ZINC000547960762 388498815 /nfs/dbraw/zinc/49/88/15/388498815.db2.gz KYSXWVHYBQQASR-VIFPVBQESA-N 1 2 249.318 0.207 20 0 BCADLO CC[C@]1(C)C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000135590381 388501317 /nfs/dbraw/zinc/50/13/17/388501317.db2.gz ABAGCXLPFUCACU-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@]1(C)C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000135590381 388501320 /nfs/dbraw/zinc/50/13/20/388501320.db2.gz ABAGCXLPFUCACU-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@H](C)OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000178566707 388501909 /nfs/dbraw/zinc/50/19/09/388501909.db2.gz JGFHNDABQOOXJP-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626185 388549617 /nfs/dbraw/zinc/54/96/17/388549617.db2.gz XGKOVVTWLULKOF-APPZFPTMSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626185 388549618 /nfs/dbraw/zinc/54/96/18/388549618.db2.gz XGKOVVTWLULKOF-APPZFPTMSA-N 1 2 223.276 0.896 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCSC1 ZINC000548132648 388516179 /nfs/dbraw/zinc/51/61/79/388516179.db2.gz FDOFXBVXVGBHHZ-SECBINFHSA-N 1 2 239.344 0.832 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@@H](CC)CO ZINC000345828021 388516805 /nfs/dbraw/zinc/51/68/05/388516805.db2.gz HPBJMZFXMKRXIC-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@@H](CC)CO ZINC000345828021 388516806 /nfs/dbraw/zinc/51/68/06/388516806.db2.gz HPBJMZFXMKRXIC-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000528426599 388523031 /nfs/dbraw/zinc/52/30/31/388523031.db2.gz LUSATAQSXIAZPN-RUIVOMMDSA-N 1 2 238.740 0.492 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000528426599 388523033 /nfs/dbraw/zinc/52/30/33/388523033.db2.gz LUSATAQSXIAZPN-RUIVOMMDSA-N 1 2 238.740 0.492 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000347760938 388523139 /nfs/dbraw/zinc/52/31/39/388523139.db2.gz LIZPHDKSKFDNGF-ZETCQYMHSA-N 1 2 213.281 0.969 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000347760938 388523140 /nfs/dbraw/zinc/52/31/40/388523140.db2.gz LIZPHDKSKFDNGF-ZETCQYMHSA-N 1 2 213.281 0.969 20 0 BCADLO CC(C)(C(=O)N1CCOCC1)c1c[nH+]c[nH]1 ZINC000548408238 388533881 /nfs/dbraw/zinc/53/38/81/388533881.db2.gz MWLSUNHFNZMOTI-UHFFFAOYSA-N 1 2 223.276 0.546 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528493486 388535488 /nfs/dbraw/zinc/53/54/88/388535488.db2.gz QIDXPCRZDOVZFT-QMMMGPOBSA-N 1 2 247.316 0.496 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528493486 388535490 /nfs/dbraw/zinc/53/54/90/388535490.db2.gz QIDXPCRZDOVZFT-QMMMGPOBSA-N 1 2 247.316 0.496 20 0 BCADLO Cn1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000521303115 256839666 /nfs/dbraw/zinc/83/96/66/256839666.db2.gz WNCNWHHYAHKFMM-UHFFFAOYSA-N 1 2 245.286 0.243 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000185570229 388588888 /nfs/dbraw/zinc/58/88/88/388588888.db2.gz ZRHHYSHUSVVZPA-RYUDHWBXSA-N 1 2 240.347 0.415 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC12CC(C1)CO2 ZINC000529867215 388593690 /nfs/dbraw/zinc/59/36/90/388593690.db2.gz BYQCJCNCVTWWOG-JBLZRFIASA-N 1 2 249.314 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC12CC(C1)CO2 ZINC000529867215 388593693 /nfs/dbraw/zinc/59/36/93/388593693.db2.gz BYQCJCNCVTWWOG-JBLZRFIASA-N 1 2 249.314 0.884 20 0 BCADLO CC1(C)C[N@H+](Cc2cnn[nH]2)CCCO1 ZINC000649315999 388605312 /nfs/dbraw/zinc/60/53/12/388605312.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnn[nH]2)CCCO1 ZINC000649315999 388605314 /nfs/dbraw/zinc/60/53/14/388605314.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CC1(C)C[N@H+](Cc2c[nH]nn2)CCCO1 ZINC000649315999 388605315 /nfs/dbraw/zinc/60/53/15/388605315.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CC1(C)C[N@@H+](Cc2c[nH]nn2)CCCO1 ZINC000649315999 388605316 /nfs/dbraw/zinc/60/53/16/388605316.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CC1(C)C[N@H+](Cc2cn[nH]n2)CCCO1 ZINC000649315999 388605317 /nfs/dbraw/zinc/60/53/17/388605317.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn[nH]n2)CCCO1 ZINC000649315999 388605318 /nfs/dbraw/zinc/60/53/18/388605318.db2.gz KDWRZLFXTDGLEW-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CCc1nocc1C[N@H+](C)CCNC(C)=O ZINC000550345238 388606506 /nfs/dbraw/zinc/60/65/06/388606506.db2.gz WCFZCMRNESOZEL-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCc1nocc1C[N@@H+](C)CCNC(C)=O ZINC000550345238 388606509 /nfs/dbraw/zinc/60/65/09/388606509.db2.gz WCFZCMRNESOZEL-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000245872352 388608663 /nfs/dbraw/zinc/60/86/63/388608663.db2.gz WQBIDGOUFQHHOI-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000245872352 388608665 /nfs/dbraw/zinc/60/86/65/388608665.db2.gz WQBIDGOUFQHHOI-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000245917749 388610787 /nfs/dbraw/zinc/61/07/87/388610787.db2.gz SDIMRMLSPDOGBJ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000245917749 388610789 /nfs/dbraw/zinc/61/07/89/388610789.db2.gz SDIMRMLSPDOGBJ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COCCC(=O)NCCCn1cc[nH+]c1 ZINC000082251309 388611498 /nfs/dbraw/zinc/61/14/98/388611498.db2.gz YNQVXTVALHJTOO-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CO[C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548784116 388562065 /nfs/dbraw/zinc/56/20/65/388562065.db2.gz DAGUBKFYMNCQMI-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO CCOC[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000528725035 388562646 /nfs/dbraw/zinc/56/26/46/388562646.db2.gz OHXQWQUQNCOUQU-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000528725035 388562648 /nfs/dbraw/zinc/56/26/48/388562648.db2.gz OHXQWQUQNCOUQU-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000528758468 388567790 /nfs/dbraw/zinc/56/77/90/388567790.db2.gz IZPMWSVNHKTJEJ-QHOPCYEYSA-N 1 2 210.281 0.706 20 0 BCADLO Cc1nsc(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000368624967 388568856 /nfs/dbraw/zinc/56/88/56/388568856.db2.gz PKCUGBCSONCJGV-SSDOTTSWSA-N 1 2 235.316 0.961 20 0 BCADLO Cc1nsc(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000368624967 388568857 /nfs/dbraw/zinc/56/88/57/388568857.db2.gz PKCUGBCSONCJGV-SSDOTTSWSA-N 1 2 235.316 0.961 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(=O)NC)C(C)C)o1 ZINC000183633018 388570833 /nfs/dbraw/zinc/57/08/33/388570833.db2.gz HTJIHKCQTHHLMP-JTQLQIEISA-N 1 2 240.307 0.492 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(N)=O ZINC000528826850 388576925 /nfs/dbraw/zinc/57/69/25/388576925.db2.gz YZOIEMQMCYUJIU-NKWVEPMBSA-N 1 2 211.240 0.745 20 0 BCADLO CNC(=O)C[NH2+][C@@H](C)c1ncccc1F ZINC000528824474 388577165 /nfs/dbraw/zinc/57/71/65/388577165.db2.gz LUPNTBHOSMBGQC-ZETCQYMHSA-N 1 2 211.240 0.617 20 0 BCADLO CCc1nnc(NC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC000528840107 388577950 /nfs/dbraw/zinc/57/79/50/388577950.db2.gz PBTSCNWPFXTPTN-UHFFFAOYSA-N 1 2 234.263 0.511 20 0 BCADLO CCc1nc(NC(=O)Cn2c[nH+]cc2C)n[nH]1 ZINC000528840107 388577953 /nfs/dbraw/zinc/57/79/53/388577953.db2.gz PBTSCNWPFXTPTN-UHFFFAOYSA-N 1 2 234.263 0.511 20 0 BCADLO CCc1n[nH]c(NC(=O)Cn2c[nH+]cc2C)n1 ZINC000528840107 388577957 /nfs/dbraw/zinc/57/79/57/388577957.db2.gz PBTSCNWPFXTPTN-UHFFFAOYSA-N 1 2 234.263 0.511 20 0 BCADLO [NH3+][C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000104669115 388583094 /nfs/dbraw/zinc/58/30/94/388583094.db2.gz TYVUVUQCINMVJD-JTQLQIEISA-N 1 2 236.246 0.454 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOCC12CC2 ZINC000549522082 388583296 /nfs/dbraw/zinc/58/32/96/388583296.db2.gz QIYDCZGWXJWSKJ-UHFFFAOYSA-N 1 2 235.287 0.354 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247557350 388666717 /nfs/dbraw/zinc/66/67/17/388666717.db2.gz RDJAXEWXUIUTLV-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247557350 388666719 /nfs/dbraw/zinc/66/67/19/388666719.db2.gz RDJAXEWXUIUTLV-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1Cc1n[nH]c(C)n1 ZINC000521994626 388672970 /nfs/dbraw/zinc/67/29/70/388672970.db2.gz GTXGENPKYSRHAZ-SNVBAGLBSA-N 1 2 223.324 0.639 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1Cc1n[nH]c(C)n1 ZINC000521994626 388672972 /nfs/dbraw/zinc/67/29/72/388672972.db2.gz GTXGENPKYSRHAZ-SNVBAGLBSA-N 1 2 223.324 0.639 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000552176060 388676819 /nfs/dbraw/zinc/67/68/19/388676819.db2.gz VSGANDGXVBYUQA-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC000192510285 388679025 /nfs/dbraw/zinc/67/90/25/388679025.db2.gz NJGXCYHKOXLOEC-UHFFFAOYSA-N 1 2 203.249 0.962 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000248444890 388679812 /nfs/dbraw/zinc/67/98/12/388679812.db2.gz GFSGQGPGPGWSDT-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000248444890 388679813 /nfs/dbraw/zinc/67/98/13/388679813.db2.gz GFSGQGPGPGWSDT-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)Cn1cccn1 ZINC000192602890 388680649 /nfs/dbraw/zinc/68/06/49/388680649.db2.gz QSWDIQQCPFMBKX-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO COCCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227567 388683481 /nfs/dbraw/zinc/68/34/81/388683481.db2.gz IWRWPUGVMAGYIH-SECBINFHSA-N 1 2 241.291 0.640 20 0 BCADLO O=C(NC1CCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522074804 388683820 /nfs/dbraw/zinc/68/38/20/388683820.db2.gz ZFAACBHORPKVOY-UHFFFAOYSA-N 1 2 243.270 0.945 20 0 BCADLO C[N@@H+]1CCO[C@H](CSc2ncccn2)C1 ZINC000551067952 388620070 /nfs/dbraw/zinc/62/00/70/388620070.db2.gz PVOFOBBZSIVVDK-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@H](CSc2ncccn2)C1 ZINC000551067952 388620072 /nfs/dbraw/zinc/62/00/72/388620072.db2.gz PVOFOBBZSIVVDK-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCS[C@H](C)C1 ZINC000189111129 388622558 /nfs/dbraw/zinc/62/25/58/388622558.db2.gz REOIVAGMXDVQMJ-SFYZADRCSA-N 1 2 227.337 0.708 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCS[C@H](C)C1 ZINC000189111129 388622559 /nfs/dbraw/zinc/62/25/59/388622559.db2.gz REOIVAGMXDVQMJ-SFYZADRCSA-N 1 2 227.337 0.708 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1nncs1 ZINC000530186544 388624827 /nfs/dbraw/zinc/62/48/27/388624827.db2.gz KHKOKXQVCVMXIC-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1nncs1 ZINC000530186544 388624829 /nfs/dbraw/zinc/62/48/29/388624829.db2.gz KHKOKXQVCVMXIC-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO COC[C@](C)([NH2+]CC[C@H]1CCCO1)C(=O)OC ZINC000189800559 388643755 /nfs/dbraw/zinc/64/37/55/388643755.db2.gz BSKPMFXPGUBQCI-PWSUYJOCSA-N 1 2 245.319 0.723 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190047010 388646319 /nfs/dbraw/zinc/64/63/19/388646319.db2.gz BJGKHQKKPOIHDY-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190047010 388646320 /nfs/dbraw/zinc/64/63/20/388646320.db2.gz BJGKHQKKPOIHDY-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1n[nH]c(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000329310764 388650361 /nfs/dbraw/zinc/65/03/61/388650361.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 1 2 237.351 0.728 20 0 BCADLO Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000329310759 388650492 /nfs/dbraw/zinc/65/04/92/388650492.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 1 2 237.351 0.728 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000530340221 388650641 /nfs/dbraw/zinc/65/06/41/388650641.db2.gz XLXUYXNVHJQCDM-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000530340221 388650644 /nfs/dbraw/zinc/65/06/44/388650644.db2.gz XLXUYXNVHJQCDM-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1n[nH]c(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000329310761 388650928 /nfs/dbraw/zinc/65/09/28/388650928.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 1 2 237.351 0.728 20 0 BCADLO COC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000224051259 388660098 /nfs/dbraw/zinc/66/00/98/388660098.db2.gz OSXMWLJLTJVSGS-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191529676 388664949 /nfs/dbraw/zinc/66/49/49/388664949.db2.gz GBJTYIGFQVZTNC-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191529676 388664952 /nfs/dbraw/zinc/66/49/52/388664952.db2.gz GBJTYIGFQVZTNC-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cc[nH]n2)[C@@H](C(N)=O)C1 ZINC000250065600 388735303 /nfs/dbraw/zinc/73/53/03/388735303.db2.gz NKXQXFGSBIUFCC-WCBMZHEXSA-N 1 2 222.292 0.496 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)[C@@H](C(N)=O)C1 ZINC000250065600 388735305 /nfs/dbraw/zinc/73/53/05/388735305.db2.gz NKXQXFGSBIUFCC-WCBMZHEXSA-N 1 2 222.292 0.496 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000552849374 388738287 /nfs/dbraw/zinc/73/82/87/388738287.db2.gz PZXYIQUJXQFCKO-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000552849374 388738289 /nfs/dbraw/zinc/73/82/89/388738289.db2.gz PZXYIQUJXQFCKO-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@H]1CCc2c[nH+]cn2C1 ZINC000552932412 388741164 /nfs/dbraw/zinc/74/11/64/388741164.db2.gz ZTDFYDPYSIFZCN-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc[nH]2)CCO1 ZINC000522267815 388741726 /nfs/dbraw/zinc/74/17/26/388741726.db2.gz NOFMHIAAXTULHS-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc[nH]2)CCO1 ZINC000522267815 388741728 /nfs/dbraw/zinc/74/17/28/388741728.db2.gz NOFMHIAAXTULHS-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cn1cccn1 ZINC000194737354 388742462 /nfs/dbraw/zinc/74/24/62/388742462.db2.gz MGUCVCCNOLLVQI-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090009440 388743949 /nfs/dbraw/zinc/74/39/49/388743949.db2.gz BWBVRIQDJUQXQF-GFCCVEGCSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090009440 388743951 /nfs/dbraw/zinc/74/39/51/388743951.db2.gz BWBVRIQDJUQXQF-GFCCVEGCSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1OCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277331895 388747014 /nfs/dbraw/zinc/74/70/14/388747014.db2.gz VQCNFNLNJBYQDM-DTWKUNHWSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccco2)CCO1 ZINC000522313826 388749786 /nfs/dbraw/zinc/74/97/86/388749786.db2.gz JAHSIHWEXNMTSI-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccco2)CCO1 ZINC000522313826 388749788 /nfs/dbraw/zinc/74/97/88/388749788.db2.gz JAHSIHWEXNMTSI-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H](C)O1 ZINC000251667714 388751843 /nfs/dbraw/zinc/75/18/43/388751843.db2.gz IJZSWJHFPRJFRR-VWYCJHECSA-N 1 2 244.335 0.199 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H](C)O1 ZINC000251667714 388751844 /nfs/dbraw/zinc/75/18/44/388751844.db2.gz IJZSWJHFPRJFRR-VWYCJHECSA-N 1 2 244.335 0.199 20 0 BCADLO COC1(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000648733673 388755525 /nfs/dbraw/zinc/75/55/25/388755525.db2.gz CHOHFCMUZRAKDD-UHFFFAOYSA-N 1 2 249.314 0.943 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC000126160234 388690396 /nfs/dbraw/zinc/69/03/96/388690396.db2.gz FXAAPBJTXFUXEH-JDNHERCYSA-N 1 2 246.376 0.211 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC000126160234 388690399 /nfs/dbraw/zinc/69/03/99/388690399.db2.gz FXAAPBJTXFUXEH-JDNHERCYSA-N 1 2 246.376 0.211 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)no1 ZINC000126443172 388696072 /nfs/dbraw/zinc/69/60/72/388696072.db2.gz RMAKBKXUWLVVAM-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000248967907 388701977 /nfs/dbraw/zinc/70/19/77/388701977.db2.gz SDWAACUVBWACBB-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000248967907 388701980 /nfs/dbraw/zinc/70/19/80/388701980.db2.gz SDWAACUVBWACBB-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000248973624 388702025 /nfs/dbraw/zinc/70/20/25/388702025.db2.gz TZSJAVTWXAWVJK-PSASIEDQSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000248973624 388702027 /nfs/dbraw/zinc/70/20/27/388702027.db2.gz TZSJAVTWXAWVJK-PSASIEDQSA-N 1 2 200.282 0.361 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249494082 388724717 /nfs/dbraw/zinc/72/47/17/388724717.db2.gz VUVAUPLQABCARO-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249494082 388724719 /nfs/dbraw/zinc/72/47/19/388724719.db2.gz VUVAUPLQABCARO-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)CC[C@H]1O ZINC000249527364 388726115 /nfs/dbraw/zinc/72/61/15/388726115.db2.gz AGLMTMZZPDOWRD-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)CC[C@H]1O ZINC000249527364 388726118 /nfs/dbraw/zinc/72/61/18/388726118.db2.gz AGLMTMZZPDOWRD-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)CC[C@H]1O ZINC000249527366 388726185 /nfs/dbraw/zinc/72/61/85/388726185.db2.gz AGLMTMZZPDOWRD-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)CC[C@H]1O ZINC000249527366 388726187 /nfs/dbraw/zinc/72/61/87/388726187.db2.gz AGLMTMZZPDOWRD-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cncn2C)[C@@H](C(N)=O)C1 ZINC000249596280 388729380 /nfs/dbraw/zinc/72/93/80/388729380.db2.gz WXWWDAQEJOLPGV-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cncn2C)[C@@H](C(N)=O)C1 ZINC000249596280 388729384 /nfs/dbraw/zinc/72/93/84/388729384.db2.gz WXWWDAQEJOLPGV-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229573076 388795466 /nfs/dbraw/zinc/79/54/66/388795466.db2.gz GSNHDVRICYZLDC-IUCAKERBSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229573076 388795467 /nfs/dbraw/zinc/79/54/67/388795467.db2.gz GSNHDVRICYZLDC-IUCAKERBSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791774 388800047 /nfs/dbraw/zinc/80/00/47/388800047.db2.gz AMVBDNGUUAEDDI-WCBMZHEXSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791774 388800052 /nfs/dbraw/zinc/80/00/52/388800052.db2.gz AMVBDNGUUAEDDI-WCBMZHEXSA-N 1 2 228.292 0.148 20 0 BCADLO CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523118023 388802203 /nfs/dbraw/zinc/80/22/03/388802203.db2.gz PRTGQVWISIGTQF-UHFFFAOYSA-N 1 2 231.259 0.754 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3COCC[C@H]32)[nH]1 ZINC000540347059 388803392 /nfs/dbraw/zinc/80/33/92/388803392.db2.gz YOSZZEWGDPODAM-DTWKUNHWSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)[nH]1 ZINC000540347058 388804013 /nfs/dbraw/zinc/80/40/13/388804013.db2.gz YOSZZEWGDPODAM-BDAKNGLRSA-N 1 2 238.291 0.511 20 0 BCADLO CCCN(CCO)C(=O)NCCn1cc[nH+]c1 ZINC000193208353 388807849 /nfs/dbraw/zinc/80/78/49/388807849.db2.gz PRRKVCGBJZQEJF-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000230012028 388809456 /nfs/dbraw/zinc/80/94/56/388809456.db2.gz XFBRPXXOJKEFIO-IUCAKERBSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000230012028 388809459 /nfs/dbraw/zinc/80/94/59/388809459.db2.gz XFBRPXXOJKEFIO-IUCAKERBSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227849377 388760075 /nfs/dbraw/zinc/76/00/75/388760075.db2.gz OQMPZMFNTPSSHD-RXMQYKEDSA-N 1 2 232.671 0.131 20 0 BCADLO COC[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227849377 388760079 /nfs/dbraw/zinc/76/00/79/388760079.db2.gz OQMPZMFNTPSSHD-RXMQYKEDSA-N 1 2 232.671 0.131 20 0 BCADLO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000227970673 388763027 /nfs/dbraw/zinc/76/30/27/388763027.db2.gz OOLQLAIZYXHJQC-WPRPVWTQSA-N 1 2 211.265 0.039 20 0 BCADLO O=c1[nH]nc(C[N@H+](C[C@H]2CCOC2)C2CC2)[nH]1 ZINC000092617424 388812741 /nfs/dbraw/zinc/81/27/41/388812741.db2.gz VPIIEMLZVNXXLC-MRVPVSSYSA-N 1 2 238.291 0.099 20 0 BCADLO O=c1[nH]nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)[nH]1 ZINC000092617424 388812744 /nfs/dbraw/zinc/81/27/44/388812744.db2.gz VPIIEMLZVNXXLC-MRVPVSSYSA-N 1 2 238.291 0.099 20 0 BCADLO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCn2nncc2C1 ZINC000564224588 388784993 /nfs/dbraw/zinc/78/49/93/388784993.db2.gz WYGNSVUIZQRVAA-WDEREUQCSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCCC[C@@H]1[N@H+]1CCn2nncc2C1 ZINC000564224588 388784996 /nfs/dbraw/zinc/78/49/96/388784996.db2.gz WYGNSVUIZQRVAA-WDEREUQCSA-N 1 2 222.292 0.397 20 0 BCADLO COC(=O)CCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229510645 388791749 /nfs/dbraw/zinc/79/17/49/388791749.db2.gz BPOSDPLYBOUOFQ-VIFPVBQESA-N 1 2 213.277 0.851 20 0 BCADLO COC(=O)CCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229510645 388791751 /nfs/dbraw/zinc/79/17/51/388791751.db2.gz BPOSDPLYBOUOFQ-VIFPVBQESA-N 1 2 213.277 0.851 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000554485426 388817095 /nfs/dbraw/zinc/81/70/95/388817095.db2.gz BKMZBVMHBJRBMV-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO CCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000074556945 135390700 /nfs/dbraw/zinc/39/07/00/135390700.db2.gz VGDMUUBJEFZEIP-AOOOYVTPSA-N 1 2 234.365 0.751 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2CCCN(C)C2=O)cn1 ZINC000554513725 388819177 /nfs/dbraw/zinc/81/91/77/388819177.db2.gz FRLZJHNYWKJULB-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(C)C2=O)cn1 ZINC000554513725 388819182 /nfs/dbraw/zinc/81/91/82/388819182.db2.gz FRLZJHNYWKJULB-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO COC[C@@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000230907826 388832514 /nfs/dbraw/zinc/83/25/14/388832514.db2.gz BXEDIVMEPZGFPM-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CCSC1 ZINC000231445126 388836222 /nfs/dbraw/zinc/83/62/22/388836222.db2.gz SZXWWCRXFMWMEN-LURJTMIESA-N 1 2 226.305 0.985 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CCSC1 ZINC000231445126 388836226 /nfs/dbraw/zinc/83/62/26/388836226.db2.gz SZXWWCRXFMWMEN-LURJTMIESA-N 1 2 226.305 0.985 20 0 BCADLO CN(C(=O)CCc1c[nH+]cn1C)C1CC(O)C1 ZINC000555522734 388851529 /nfs/dbraw/zinc/85/15/29/388851529.db2.gz YONHEXHNGJJZKE-UHFFFAOYSA-N 1 2 237.303 0.334 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC(n2ccnc2)C1 ZINC000523689130 388852450 /nfs/dbraw/zinc/85/24/50/388852450.db2.gz BPWMUVVRUZUXAH-UHFFFAOYSA-N 1 2 245.286 0.553 20 0 BCADLO CO[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523688869 388852918 /nfs/dbraw/zinc/85/29/18/388852918.db2.gz LRMXDOYYHAFERH-MRVPVSSYSA-N 1 2 209.249 0.301 20 0 BCADLO O=C([C@H]1CCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000523699964 388854021 /nfs/dbraw/zinc/85/40/21/388854021.db2.gz FASFIYKZZIZRFL-VIFPVBQESA-N 1 2 221.260 0.303 20 0 BCADLO COC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000648768208 388854395 /nfs/dbraw/zinc/85/43/95/388854395.db2.gz WFHGCQOEWWUQRT-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO CCCOCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523748815 388858204 /nfs/dbraw/zinc/85/82/04/388858204.db2.gz IRFRGYHMTYYBJO-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCOCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523748815 388858208 /nfs/dbraw/zinc/85/82/08/388858208.db2.gz IRFRGYHMTYYBJO-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COc1ncc(Cl)c(N2CC[NH+](C)CC2)n1 ZINC000268492570 132192428 /nfs/dbraw/zinc/19/24/28/132192428.db2.gz QOJJQMKODYSZRB-UHFFFAOYSA-N 1 2 242.710 0.890 20 0 BCADLO Cc1nc(C[N@H+](C)CC[C@@H]2CCNC2=O)no1 ZINC000564702005 388885564 /nfs/dbraw/zinc/88/55/64/388885564.db2.gz YMGXHQNGIIOTBX-VIFPVBQESA-N 1 2 238.291 0.336 20 0 BCADLO Cc1nc(C[N@@H+](C)CC[C@@H]2CCNC2=O)no1 ZINC000564702005 388885566 /nfs/dbraw/zinc/88/55/66/388885566.db2.gz YMGXHQNGIIOTBX-VIFPVBQESA-N 1 2 238.291 0.336 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H]1C1CCC1 ZINC000565027949 388908716 /nfs/dbraw/zinc/90/87/16/388908716.db2.gz CWLIVOAKPAOSMK-GFCCVEGCSA-N 1 2 249.314 0.911 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H]1C1CCC1 ZINC000565027952 388908732 /nfs/dbraw/zinc/90/87/32/388908732.db2.gz CWLIVOAKPAOSMK-LBPRGKRZSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CO1 ZINC000565030052 388909614 /nfs/dbraw/zinc/90/96/14/388909614.db2.gz RPUCLCVOVQEHJR-UWVGGRQHSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175132 388921430 /nfs/dbraw/zinc/92/14/30/388921430.db2.gz VAFOIHBKOJVIIG-CIUDSAMLSA-N 1 2 240.269 0.792 20 0 BCADLO C[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175132 388921432 /nfs/dbraw/zinc/92/14/32/388921432.db2.gz VAFOIHBKOJVIIG-CIUDSAMLSA-N 1 2 240.269 0.792 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H]([C@@H](C)O)C1 ZINC000163129171 388933267 /nfs/dbraw/zinc/93/32/67/388933267.db2.gz DHQINMVTLXXUAA-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H]([C@@H](C)O)C1 ZINC000163129171 388933264 /nfs/dbraw/zinc/93/32/64/388933264.db2.gz DHQINMVTLXXUAA-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCOC(C)(C)C ZINC000565734648 388966238 /nfs/dbraw/zinc/96/62/38/388966238.db2.gz VDFNCXQVOBNPAW-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000565326008 388939414 /nfs/dbraw/zinc/93/94/14/388939414.db2.gz PKLOHIJHAFHGTP-BDAKNGLRSA-N 1 2 225.267 0.969 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc[nH]n1 ZINC000565389234 388941278 /nfs/dbraw/zinc/94/12/78/388941278.db2.gz BLKAOLVWQGWGIH-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc[nH]n1 ZINC000565389234 388941274 /nfs/dbraw/zinc/94/12/74/388941274.db2.gz BLKAOLVWQGWGIH-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO COc1cnc(C(=O)NCc2[nH]c[nH+]c2C)nc1 ZINC000565530646 388950729 /nfs/dbraw/zinc/95/07/29/388950729.db2.gz KASJKDBOLBXCNL-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO O=C1CN(c2cccc[nH+]2)CCN1C1CC1 ZINC000336438948 132247304 /nfs/dbraw/zinc/24/73/04/132247304.db2.gz JMYXDZHEUOGRPP-UHFFFAOYSA-N 1 2 217.272 0.893 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@H]1O ZINC000300332948 132250770 /nfs/dbraw/zinc/25/07/70/132250770.db2.gz CNEDJRWQRRQBAI-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@H]1O ZINC000300332948 132250773 /nfs/dbraw/zinc/25/07/73/132250773.db2.gz CNEDJRWQRRQBAI-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1cnc(NCC[NH+]2CCOCC2)nc1C ZINC000270731534 389013495 /nfs/dbraw/zinc/01/34/95/389013495.db2.gz URYIZEQGQZQUFK-UHFFFAOYSA-N 1 2 236.319 0.838 20 0 BCADLO CC[C@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000271196967 389018065 /nfs/dbraw/zinc/01/80/65/389018065.db2.gz PAVXHOGUAZZGTK-NSHDSACASA-N 1 2 225.292 0.851 20 0 BCADLO CCC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000274482575 168205856 /nfs/dbraw/zinc/20/58/56/168205856.db2.gz IPCXFEGBQRJYGF-UHFFFAOYSA-N 1 2 209.249 0.369 20 0 BCADLO C[C@@H](CC(=O)NCCOC(N)=O)n1cc[nH+]c1 ZINC000497043226 533431667 /nfs/dbraw/zinc/43/16/67/533431667.db2.gz JHPNQTFBMXNAEU-QMMMGPOBSA-N 1 2 240.263 0.460 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccon1 ZINC000308915153 533435475 /nfs/dbraw/zinc/43/54/75/533435475.db2.gz BBCPXCAYVNICRH-RQJHMYQMSA-N 1 2 211.221 0.434 20 0 BCADLO CO[C@@H]1C[NH+](Cc2nccs2)C[C@H]1OC ZINC000488082375 533480943 /nfs/dbraw/zinc/48/09/43/533480943.db2.gz YBGDPZJTOUGMQV-RKDXNWHRSA-N 1 2 228.317 0.989 20 0 BCADLO C[C@@H](O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111303 533616116 /nfs/dbraw/zinc/61/61/16/533616116.db2.gz BRLJKONKSBLEFP-UFUPEUMYSA-N 1 2 209.249 0.310 20 0 BCADLO Cc1nc(N2CCNC(=O)[C@H]2C(C)C)cc[nH+]1 ZINC000271489943 132199217 /nfs/dbraw/zinc/19/92/17/132199217.db2.gz VRAMCJOLLXBFKM-LLVKDONJSA-N 1 2 234.303 0.746 20 0 BCADLO C[C@@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277313808 132207509 /nfs/dbraw/zinc/20/75/09/132207509.db2.gz CRYPYPJPSVCFGA-SECBINFHSA-N 1 2 238.291 0.106 20 0 BCADLO C[C@@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277313808 132207512 /nfs/dbraw/zinc/20/75/12/132207512.db2.gz CRYPYPJPSVCFGA-SECBINFHSA-N 1 2 238.291 0.106 20 0 BCADLO Cc1cc(N2CCS(=O)(=O)C[C@H]2C)nc[nH+]1 ZINC000301367731 132223337 /nfs/dbraw/zinc/22/33/37/132223337.db2.gz OOTHVNOEUDVYRQ-SECBINFHSA-N 1 2 241.316 0.408 20 0 BCADLO Cc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000040727694 132224279 /nfs/dbraw/zinc/22/42/79/132224279.db2.gz AQVIUAOWYGLARC-SNVBAGLBSA-N 1 2 207.277 0.994 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1c1cc[nH+]c(C2CC2)n1 ZINC000131810038 132236533 /nfs/dbraw/zinc/23/65/33/132236533.db2.gz ZEDHGBIAZQTGCZ-MWLCHTKSSA-N 1 2 249.314 0.940 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1c1cc[nH+]c(C2CC2)n1 ZINC000131809644 132236589 /nfs/dbraw/zinc/23/65/89/132236589.db2.gz ZEDHGBIAZQTGCZ-KOLCDFICSA-N 1 2 249.314 0.940 20 0 BCADLO COC(=O)[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000096474746 132242136 /nfs/dbraw/zinc/24/21/36/132242136.db2.gz ZJGMOCCGZAOEFA-SECBINFHSA-N 1 2 237.259 0.163 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000333980640 132246576 /nfs/dbraw/zinc/24/65/76/132246576.db2.gz BKZGSFUDOWENTR-MRVPVSSYSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000333980640 132246577 /nfs/dbraw/zinc/24/65/77/132246577.db2.gz BKZGSFUDOWENTR-MRVPVSSYSA-N 1 2 247.302 0.376 20 0 BCADLO Cc1cc(N2CCn3cnnc3[C@@H]2C)nc[nH+]1 ZINC000357751631 132274770 /nfs/dbraw/zinc/27/47/70/132274770.db2.gz VLTJIKMUWVJSPJ-VIFPVBQESA-N 1 2 230.275 0.958 20 0 BCADLO Cc1nc(N2CC[S@@](=O)[C@@H](C)C2)cc[nH+]1 ZINC000361057511 132279871 /nfs/dbraw/zinc/27/98/71/132279871.db2.gz AGCFEQUSPKWYIB-VXJOIVPMSA-N 1 2 225.317 0.742 20 0 BCADLO CC[NH+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000036896415 132343097 /nfs/dbraw/zinc/34/30/97/132343097.db2.gz VWGCZAYZEJQKEO-UHFFFAOYSA-N 1 2 235.287 0.922 20 0 BCADLO Cc1nc(N2CCC(CO)CC2)cc[nH+]1 ZINC000054937118 132365112 /nfs/dbraw/zinc/36/51/12/132365112.db2.gz OYMOVIVFQJMJFJ-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000174722244 132446080 /nfs/dbraw/zinc/44/60/80/132446080.db2.gz SLGYMXOPSSKXQL-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)N1CCCC1 ZINC000157115761 133481381 /nfs/dbraw/zinc/48/13/81/133481381.db2.gz LVJWJUKGBMAOMN-SECBINFHSA-N 1 2 222.292 0.510 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000335093439 133762475 /nfs/dbraw/zinc/76/24/75/133762475.db2.gz OWRMYNAYQDSHTP-XVKPBYJWSA-N 1 2 211.240 0.784 20 0 BCADLO C[C@H](C(=O)N1CC(C)C1)[NH+]1CCN(C)CC1 ZINC000335435733 133845332 /nfs/dbraw/zinc/84/53/32/133845332.db2.gz VAUTWLMTGZTNEF-LLVKDONJSA-N 1 2 225.336 0.101 20 0 BCADLO CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335922942 134007951 /nfs/dbraw/zinc/00/79/51/134007951.db2.gz HNJXAEIHOUUTTI-QMMMGPOBSA-N 1 2 208.265 0.517 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)on1 ZINC000335926491 134009141 /nfs/dbraw/zinc/00/91/41/134009141.db2.gz DJFQCQGMJNZSGH-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)on1 ZINC000335926491 134009142 /nfs/dbraw/zinc/00/91/42/134009142.db2.gz DJFQCQGMJNZSGH-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C)C1 ZINC000335970474 134029658 /nfs/dbraw/zinc/02/96/58/134029658.db2.gz MVSINSFGULILJE-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C)C1 ZINC000335970474 134029659 /nfs/dbraw/zinc/02/96/59/134029659.db2.gz MVSINSFGULILJE-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H](CF)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022256 134055782 /nfs/dbraw/zinc/05/57/82/134055782.db2.gz KUVWLBGXPIPBGQ-SFYZADRCSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@H](CF)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022256 134055783 /nfs/dbraw/zinc/05/57/83/134055783.db2.gz KUVWLBGXPIPBGQ-SFYZADRCSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022257 134056149 /nfs/dbraw/zinc/05/61/49/134056149.db2.gz KUVWLBGXPIPBGQ-YUMQZZPRSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022257 134056150 /nfs/dbraw/zinc/05/61/50/134056150.db2.gz KUVWLBGXPIPBGQ-YUMQZZPRSA-N 1 2 240.282 0.924 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336057120 134066847 /nfs/dbraw/zinc/06/68/47/134066847.db2.gz YYIOITAHBCIOPJ-NSHDSACASA-N 1 2 247.298 0.889 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000336057120 134066848 /nfs/dbraw/zinc/06/68/48/134066848.db2.gz YYIOITAHBCIOPJ-NSHDSACASA-N 1 2 247.298 0.889 20 0 BCADLO COC(=O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352108494 134067890 /nfs/dbraw/zinc/06/78/90/134067890.db2.gz YUACBFHDCJPUTF-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO COC(=O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352108494 134067891 /nfs/dbraw/zinc/06/78/91/134067891.db2.gz YUACBFHDCJPUTF-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO CC[N@@H+](Cc1noc(CCOC)n1)C[C@@H](C)O ZINC000352114951 134070892 /nfs/dbraw/zinc/07/08/92/134070892.db2.gz FYEPZNCGODOGDR-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1noc(CCOC)n1)C[C@@H](C)O ZINC000352114951 134070893 /nfs/dbraw/zinc/07/08/93/134070893.db2.gz FYEPZNCGODOGDR-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CC[C@@H](C)O2)CC1=O ZINC000336071139 134071829 /nfs/dbraw/zinc/07/18/29/134071829.db2.gz BPWNNUYACITMIW-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)CC1=O ZINC000336071139 134071830 /nfs/dbraw/zinc/07/18/30/134071830.db2.gz BPWNNUYACITMIW-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1nc([C@@H](C)[N@H+](C)CCC(N)=O)no1 ZINC000352115692 134072517 /nfs/dbraw/zinc/07/25/17/134072517.db2.gz NNVQBHKILCQGJU-ZCFIWIBFSA-N 1 2 212.253 0.246 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+](C)CCC(N)=O)no1 ZINC000352115692 134072518 /nfs/dbraw/zinc/07/25/18/134072518.db2.gz NNVQBHKILCQGJU-ZCFIWIBFSA-N 1 2 212.253 0.246 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cnn(C)c2C)c[nH+]1 ZINC000336114595 134087963 /nfs/dbraw/zinc/08/79/63/134087963.db2.gz VFTWILYETYPIHC-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336118110 134088945 /nfs/dbraw/zinc/08/89/45/134088945.db2.gz HFRJFZRBGBDHLD-RKDXNWHRSA-N 1 2 237.303 0.669 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)O)o1 ZINC000352185865 134099875 /nfs/dbraw/zinc/09/98/75/134099875.db2.gz GXLGPJLJCJBXAW-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)O)o1 ZINC000352185865 134099876 /nfs/dbraw/zinc/09/98/76/134099876.db2.gz GXLGPJLJCJBXAW-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CO ZINC000336152414 134105017 /nfs/dbraw/zinc/10/50/17/134105017.db2.gz PBEGYKGWKXWBAP-SNVBAGLBSA-N 1 2 237.303 0.949 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2CCCOC2)nn1 ZINC000352228964 134110500 /nfs/dbraw/zinc/11/05/00/134110500.db2.gz BOLQMKGVEIWKQI-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2CCCOC2)nn1 ZINC000352228964 134110501 /nfs/dbraw/zinc/11/05/01/134110501.db2.gz BOLQMKGVEIWKQI-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2CCCOC2)nn1 ZINC000352228962 134110816 /nfs/dbraw/zinc/11/08/16/134110816.db2.gz BOLQMKGVEIWKQI-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2CCCOC2)nn1 ZINC000352228962 134110817 /nfs/dbraw/zinc/11/08/17/134110817.db2.gz BOLQMKGVEIWKQI-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)n1 ZINC000168631856 134233781 /nfs/dbraw/zinc/23/37/81/134233781.db2.gz PJZZIXJFQVUBHF-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)n1 ZINC000168631856 134233782 /nfs/dbraw/zinc/23/37/82/134233782.db2.gz PJZZIXJFQVUBHF-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(O)c1 ZINC000168648590 134238119 /nfs/dbraw/zinc/23/81/19/134238119.db2.gz IJCNKCUHBXJOGP-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(O)c1 ZINC000168648590 134238120 /nfs/dbraw/zinc/23/81/20/134238120.db2.gz IJCNKCUHBXJOGP-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO Cn1c[nH+]cc1Cn1nc2ccccn2c1=O ZINC000169067127 134248733 /nfs/dbraw/zinc/24/87/33/134248733.db2.gz ILIIFQURVPNJQJ-UHFFFAOYSA-N 1 2 229.243 0.278 20 0 BCADLO COCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249625 134252457 /nfs/dbraw/zinc/25/24/57/134252457.db2.gz MUFLPGCMNIJIEQ-SECBINFHSA-N 1 2 223.276 0.208 20 0 BCADLO Cc1cc(NC[C@H](O)CO)nc(C(C)C)[nH+]1 ZINC000085245381 134254886 /nfs/dbraw/zinc/25/48/86/134254886.db2.gz LEHOVVGOPJXKNU-VIFPVBQESA-N 1 2 225.292 0.674 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C(C)C)n1C ZINC000176363045 134291040 /nfs/dbraw/zinc/29/10/40/134291040.db2.gz LROWTPAVQYBZQY-UHFFFAOYSA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C(C)C)n1C ZINC000176363045 134291041 /nfs/dbraw/zinc/29/10/41/134291041.db2.gz LROWTPAVQYBZQY-UHFFFAOYSA-N 1 2 226.324 0.580 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cn[nH]n1 ZINC000178381783 134309262 /nfs/dbraw/zinc/30/92/62/134309262.db2.gz IIDPSDSNUCSCSG-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccn[nH]1 ZINC000178389424 134309298 /nfs/dbraw/zinc/30/92/98/134309298.db2.gz QNOCIILCXRGYTC-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178723623 134310602 /nfs/dbraw/zinc/31/06/02/134310602.db2.gz NCWZTQNERPVKQP-JQWIXIFHSA-N 1 2 237.347 0.149 20 0 BCADLO O=C(C[C@@H]1C=CCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178726339 134310683 /nfs/dbraw/zinc/31/06/83/134310683.db2.gz FPCDNJFDGHLJBM-OLZOCXBDSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(C[C@H]1C=CCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178726347 134310698 /nfs/dbraw/zinc/31/06/98/134310698.db2.gz FPCDNJFDGHLJBM-STQMWFEESA-N 1 2 249.358 0.459 20 0 BCADLO CC(C)CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178651916 134312462 /nfs/dbraw/zinc/31/24/62/134312462.db2.gz LIZQPSCOHUCRLU-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO O=C(CC1CCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178649050 134312673 /nfs/dbraw/zinc/31/26/73/134312673.db2.gz KSKBJFPALOKTLM-GFCCVEGCSA-N 1 2 237.347 0.293 20 0 BCADLO CCC[N@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000180409253 134327371 /nfs/dbraw/zinc/32/73/71/134327371.db2.gz JEAMCNFCPKMTCQ-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000180409253 134327372 /nfs/dbraw/zinc/32/73/72/134327372.db2.gz JEAMCNFCPKMTCQ-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO CN1CC[C@@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000181323883 134335694 /nfs/dbraw/zinc/33/56/94/134335694.db2.gz OEGFKPHUEMLOGH-RQJHMYQMSA-N 1 2 240.225 0.072 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000181323883 134335695 /nfs/dbraw/zinc/33/56/95/134335695.db2.gz OEGFKPHUEMLOGH-RQJHMYQMSA-N 1 2 240.225 0.072 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000182270841 134343457 /nfs/dbraw/zinc/34/34/57/134343457.db2.gz VPWGBDCUYVTHQJ-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC000182270841 134343458 /nfs/dbraw/zinc/34/34/58/134343458.db2.gz VPWGBDCUYVTHQJ-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CO[C@H](C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000182961371 134349953 /nfs/dbraw/zinc/34/99/53/134349953.db2.gz OZVSSVXRSKAESK-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757056 134370812 /nfs/dbraw/zinc/37/08/12/134370812.db2.gz RIZRRRJNJUKIEZ-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757056 134370813 /nfs/dbraw/zinc/37/08/13/134370813.db2.gz RIZRRRJNJUKIEZ-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185162031 134372136 /nfs/dbraw/zinc/37/21/36/134372136.db2.gz PXPYEHMKKAUVEE-GFCCVEGCSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185162031 134372137 /nfs/dbraw/zinc/37/21/37/134372137.db2.gz PXPYEHMKKAUVEE-GFCCVEGCSA-N 1 2 242.319 0.002 20 0 BCADLO Cc1nc(N2C[C@@H](CO)OC[C@H]2C)cc[nH+]1 ZINC000227393071 134379200 /nfs/dbraw/zinc/37/92/00/134379200.db2.gz SBVHKMPJQCDVAU-SCZZXKLOSA-N 1 2 223.276 0.371 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccon1 ZINC000185426570 134380247 /nfs/dbraw/zinc/38/02/47/134380247.db2.gz DCTPJRPROZUVCQ-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccon1 ZINC000185426570 134380248 /nfs/dbraw/zinc/38/02/48/134380248.db2.gz DCTPJRPROZUVCQ-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000408085851 134389673 /nfs/dbraw/zinc/38/96/73/134389673.db2.gz DGDNUHATYITPPT-RKDXNWHRSA-N 1 2 238.291 0.787 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000408085851 134389674 /nfs/dbraw/zinc/38/96/74/134389674.db2.gz DGDNUHATYITPPT-RKDXNWHRSA-N 1 2 238.291 0.787 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)Cn1cccn1)C1CC1 ZINC000227770024 134393746 /nfs/dbraw/zinc/39/37/46/134393746.db2.gz IITUMGFEZZTXJU-MWLCHTKSSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[NH+](CCn2cncn2)C[C@@H](C)S1=O ZINC000408124670 134397657 /nfs/dbraw/zinc/39/76/57/134397657.db2.gz RFBRETFJYSNTKX-NXEZZACHSA-N 1 2 242.348 0.119 20 0 BCADLO CCCC[C@@H](CC)C[NH+](CC(N)=O)CC(N)=O ZINC000075827822 134983748 /nfs/dbraw/zinc/98/37/48/134983748.db2.gz MVNVYGHTSLLXIZ-SNVBAGLBSA-N 1 2 243.351 0.475 20 0 BCADLO Cn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070651467 135003274 /nfs/dbraw/zinc/00/32/74/135003274.db2.gz AMYYWJKOWJUTOJ-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248396548 135005116 /nfs/dbraw/zinc/00/51/16/135005116.db2.gz QCYZLSXXOYSWDI-NKWVEPMBSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248396548 135005118 /nfs/dbraw/zinc/00/51/18/135005118.db2.gz QCYZLSXXOYSWDI-NKWVEPMBSA-N 1 2 240.225 0.249 20 0 BCADLO O=C(Cc1cccnc1)NCc1[nH]cc[nH+]1 ZINC000070653787 135005386 /nfs/dbraw/zinc/00/53/86/135005386.db2.gz FOQWPVGTJMQCRN-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO COC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248396853 135005469 /nfs/dbraw/zinc/00/54/69/135005469.db2.gz QTGXFHIKJVKJQB-JGVFFNPUSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248396853 135005473 /nfs/dbraw/zinc/00/54/73/135005473.db2.gz QTGXFHIKJVKJQB-JGVFFNPUSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248639333 135017446 /nfs/dbraw/zinc/01/74/46/135017446.db2.gz XOMBQQJZOQRQGO-GHMZBOCLSA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248639333 135017448 /nfs/dbraw/zinc/01/74/48/135017448.db2.gz XOMBQQJZOQRQGO-GHMZBOCLSA-N 1 2 237.303 0.885 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000248663697 135018203 /nfs/dbraw/zinc/01/82/03/135018203.db2.gz ZZOJSLQMBLFBQQ-PWSUYJOCSA-N 1 2 224.304 0.779 20 0 BCADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000248663697 135018204 /nfs/dbraw/zinc/01/82/04/135018204.db2.gz ZZOJSLQMBLFBQQ-PWSUYJOCSA-N 1 2 224.304 0.779 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000248649996 135018730 /nfs/dbraw/zinc/01/87/30/135018730.db2.gz UPOYZLWSTVYRLB-VHSXEESVSA-N 1 2 247.298 0.490 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000248649996 135018732 /nfs/dbraw/zinc/01/87/32/135018732.db2.gz UPOYZLWSTVYRLB-VHSXEESVSA-N 1 2 247.298 0.490 20 0 BCADLO C[C@@H]1C[N@H+](CCN2C[C@H](C)OC[C@H]2C)CCO1 ZINC000248945407 135027851 /nfs/dbraw/zinc/02/78/51/135027851.db2.gz CHFMMCUOTACPQX-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2C[C@H](C)OC[C@H]2C)CCO1 ZINC000248945407 135027854 /nfs/dbraw/zinc/02/78/54/135027854.db2.gz CHFMMCUOTACPQX-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000249357526 135036734 /nfs/dbraw/zinc/03/67/34/135036734.db2.gz RSGHQFUEZDNSJW-XHNCKOQMSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000249357526 135036736 /nfs/dbraw/zinc/03/67/36/135036736.db2.gz RSGHQFUEZDNSJW-XHNCKOQMSA-N 1 2 241.291 0.121 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@@H](CO)OC[C@H]1C ZINC000250352506 135052234 /nfs/dbraw/zinc/05/22/34/135052234.db2.gz WIMCUQUCKZPAKS-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000076949299 135053970 /nfs/dbraw/zinc/05/39/70/135053970.db2.gz ZTMRCIIFGVULSM-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000076949299 135053974 /nfs/dbraw/zinc/05/39/74/135053974.db2.gz ZTMRCIIFGVULSM-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000077898105 135085079 /nfs/dbraw/zinc/08/50/79/135085079.db2.gz XPUVRJFAZMGRIV-VIFPVBQESA-N 1 2 214.334 0.656 20 0 BCADLO OC[C@@H](O)CSCCCn1cc[nH+]c1 ZINC000086660935 135093227 /nfs/dbraw/zinc/09/32/27/135093227.db2.gz IWBFYIDLKKSPCJ-SECBINFHSA-N 1 2 216.306 0.360 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252859034 135114058 /nfs/dbraw/zinc/11/40/58/135114058.db2.gz JCEVBGJSCHYUGA-SDDRHHMPSA-N 1 2 249.314 0.503 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000252934511 135117983 /nfs/dbraw/zinc/11/79/83/135117983.db2.gz DTPGWDMIWYVNFE-VGMNWLOBSA-N 1 2 203.282 0.951 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253212854 135124905 /nfs/dbraw/zinc/12/49/05/135124905.db2.gz BUPPPOSPAQSUIB-ZJUUUORDSA-N 1 2 226.320 0.812 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253212854 135124907 /nfs/dbraw/zinc/12/49/07/135124907.db2.gz BUPPPOSPAQSUIB-ZJUUUORDSA-N 1 2 226.320 0.812 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263710746 135127788 /nfs/dbraw/zinc/12/77/88/135127788.db2.gz PFWBZBDUOUGISN-ZDUSSCGKSA-N 1 2 248.326 0.978 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263710746 135127790 /nfs/dbraw/zinc/12/77/90/135127790.db2.gz PFWBZBDUOUGISN-ZDUSSCGKSA-N 1 2 248.326 0.978 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000087399929 135128864 /nfs/dbraw/zinc/12/88/64/135128864.db2.gz UYYZREHRAPWMGL-VIFPVBQESA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000087399929 135128866 /nfs/dbraw/zinc/12/88/66/135128866.db2.gz UYYZREHRAPWMGL-VIFPVBQESA-N 1 2 215.293 0.906 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccncc1F ZINC000084081776 135181886 /nfs/dbraw/zinc/18/18/86/135181886.db2.gz VZEJBJSUKXPLDE-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccncc1F ZINC000084081776 135181888 /nfs/dbraw/zinc/18/18/88/135181888.db2.gz VZEJBJSUKXPLDE-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(Nc1nncs1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261552405 135191491 /nfs/dbraw/zinc/19/14/91/135191491.db2.gz RJKVAOATWYMGNF-BYPYZUCNSA-N 1 2 234.231 0.474 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@H](CO)OC(C)(C)C1 ZINC000163855545 135208052 /nfs/dbraw/zinc/20/80/52/135208052.db2.gz IKASLXBGKUKDGC-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO Cn1cc(C[NH+]2CC(O)(C3CC3)C2)cn1 ZINC000084377134 135216031 /nfs/dbraw/zinc/21/60/31/135216031.db2.gz TWIPXOMRWHCRHE-UHFFFAOYSA-N 1 2 207.277 0.377 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)c1cccnc1 ZINC000342274946 135260414 /nfs/dbraw/zinc/26/04/14/135260414.db2.gz IFPUYVJIPZWEBD-NSHDSACASA-N 1 2 232.287 0.670 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CCCO1 ZINC000262694712 135314121 /nfs/dbraw/zinc/31/41/21/135314121.db2.gz BAGFTHZEHFWXNE-XHNCKOQMSA-N 1 2 248.273 0.667 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@@H](O)C2)n1C ZINC000342797180 135320676 /nfs/dbraw/zinc/32/06/76/135320676.db2.gz FCIDIAOTMGJWDZ-SNVBAGLBSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1c[nH+]c(CN2CCO[C@H](C)C2)n1C ZINC000342799484 135321440 /nfs/dbraw/zinc/32/14/40/135321440.db2.gz OJFQSQQDPYOPGP-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nnc2c(NCc3[nH+]ccn3C)nccn12 ZINC000079470300 135322426 /nfs/dbraw/zinc/32/24/26/135322426.db2.gz QVMBQLRUKGDVJX-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CCCCOCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000079482176 135322676 /nfs/dbraw/zinc/32/26/76/135322676.db2.gz RRJIEYTYFCGZEK-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCCOCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000079482176 135322678 /nfs/dbraw/zinc/32/26/78/135322678.db2.gz RRJIEYTYFCGZEK-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCn1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000262908959 135323060 /nfs/dbraw/zinc/32/30/60/135323060.db2.gz FKZXXJLBXHZPOF-MRVPVSSYSA-N 1 2 244.245 0.839 20 0 BCADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000342762100 135325552 /nfs/dbraw/zinc/32/55/52/135325552.db2.gz VVXJWODCBNBDAL-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262991427 135325974 /nfs/dbraw/zinc/32/59/74/135325974.db2.gz NSDSAHKEWGIJQC-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO Cc1c[nH+]c(CN2CCN3C(=O)N=NC3C2)n1C ZINC000342768559 135326061 /nfs/dbraw/zinc/32/60/61/135326061.db2.gz LWMWDHPPHGSOLW-UHFFFAOYSA-N 1 2 248.290 0.041 20 0 BCADLO Cc1c[nH+]c(CN2CCn3c(n[nH]c3=O)C2)n1C ZINC000342768559 135326062 /nfs/dbraw/zinc/32/60/62/135326062.db2.gz LWMWDHPPHGSOLW-UHFFFAOYSA-N 1 2 248.290 0.041 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](F)C[C@H]2CO)n1C ZINC000342770675 135326151 /nfs/dbraw/zinc/32/61/51/135326151.db2.gz YJRCXWVXLKAKJI-ZJUUUORDSA-N 1 2 227.283 0.633 20 0 BCADLO Cn1ccc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000334170711 135326347 /nfs/dbraw/zinc/32/63/47/135326347.db2.gz BHUFASRTGBEDST-UHFFFAOYSA-N 1 2 217.276 0.674 20 0 BCADLO Cc1c[nH+]c(CN2CCN(C)C(=O)[C@H]2C)n1C ZINC000342775986 135327493 /nfs/dbraw/zinc/32/74/93/135327493.db2.gz JOKHFSGQFOJYEZ-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263036673 135327999 /nfs/dbraw/zinc/32/79/99/135327999.db2.gz SIGQAOPCGXVMAX-JGVFFNPUSA-N 1 2 234.246 0.279 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263036684 135328170 /nfs/dbraw/zinc/32/81/70/135328170.db2.gz SIGQAOPCGXVMAX-YUMQZZPRSA-N 1 2 234.246 0.279 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263036678 135328419 /nfs/dbraw/zinc/32/84/19/135328419.db2.gz SIGQAOPCGXVMAX-SFYZADRCSA-N 1 2 234.246 0.279 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CCC1=O ZINC000334222885 135328679 /nfs/dbraw/zinc/32/86/79/135328679.db2.gz ZBVBTRUTROHEEI-SNVBAGLBSA-N 1 2 224.304 0.520 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CCC1=O ZINC000334222885 135328680 /nfs/dbraw/zinc/32/86/80/135328680.db2.gz ZBVBTRUTROHEEI-SNVBAGLBSA-N 1 2 224.304 0.520 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC1CCC1 ZINC000334225411 135329690 /nfs/dbraw/zinc/32/96/90/135329690.db2.gz AVXIKDOVBHLELT-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1CCC1 ZINC000334225411 135329692 /nfs/dbraw/zinc/32/96/92/135329692.db2.gz AVXIKDOVBHLELT-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO O=C(Nc1ncccc1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263060087 135329956 /nfs/dbraw/zinc/32/99/56/135329956.db2.gz VGFPRUALYUWCMF-LURJTMIESA-N 1 2 243.213 0.723 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000334171490 135330782 /nfs/dbraw/zinc/33/07/82/135330782.db2.gz AASULEARBATCQV-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C(F)F ZINC000342911022 135334099 /nfs/dbraw/zinc/33/40/99/135334099.db2.gz JSUSYAFRSSWLPC-JGVFFNPUSA-N 1 2 244.245 0.836 20 0 BCADLO C[C@]1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCCO1 ZINC000263201422 135339491 /nfs/dbraw/zinc/33/94/91/135339491.db2.gz JCPDGEGPDVZJGH-PSASIEDQSA-N 1 2 248.273 0.669 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC000334313541 135351330 /nfs/dbraw/zinc/35/13/30/135351330.db2.gz NOZQWUDAMHNTAQ-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC000334313541 135351332 /nfs/dbraw/zinc/35/13/32/135351332.db2.gz NOZQWUDAMHNTAQ-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334313638 135351509 /nfs/dbraw/zinc/35/15/09/135351509.db2.gz XTAXEFZREPXXKN-JTQLQIEISA-N 1 2 207.277 0.675 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334313638 135351510 /nfs/dbraw/zinc/35/15/10/135351510.db2.gz XTAXEFZREPXXKN-JTQLQIEISA-N 1 2 207.277 0.675 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334334802 135362030 /nfs/dbraw/zinc/36/20/30/135362030.db2.gz YPVYSJUWQNCENU-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334334802 135362031 /nfs/dbraw/zinc/36/20/31/135362031.db2.gz YPVYSJUWQNCENU-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080525931 135379031 /nfs/dbraw/zinc/37/90/31/135379031.db2.gz YYWWZWKRIVCHLY-UHFFFAOYSA-N 1 2 247.302 0.951 20 0 BCADLO Cc1cc(N2CC[C@H](C)[C@H]2CO)nc[nH+]1 ZINC000299906308 135382421 /nfs/dbraw/zinc/38/24/21/135382421.db2.gz FGYAKNRPKFGGDA-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1O ZINC000299917898 135382468 /nfs/dbraw/zinc/38/24/68/135382468.db2.gz UTFQJJQCOIJMJJ-NXEZZACHSA-N 1 2 207.277 0.679 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1O ZINC000299917898 135382470 /nfs/dbraw/zinc/38/24/70/135382470.db2.gz UTFQJJQCOIJMJJ-NXEZZACHSA-N 1 2 207.277 0.679 20 0 BCADLO O=C(Cc1cccc(O)c1)NCc1[nH]cc[nH+]1 ZINC000080587347 135382479 /nfs/dbraw/zinc/38/24/79/135382479.db2.gz GTLLURVUNNXNFX-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)n(C)n1 ZINC000299955478 135383046 /nfs/dbraw/zinc/38/30/46/135383046.db2.gz CJFKMHYJOGNKRU-PWSUYJOCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)n(C)n1 ZINC000299955478 135383047 /nfs/dbraw/zinc/38/30/47/135383047.db2.gz CJFKMHYJOGNKRU-PWSUYJOCSA-N 1 2 239.319 0.310 20 0 BCADLO CCC1(C)CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000334400606 135389324 /nfs/dbraw/zinc/38/93/24/135389324.db2.gz FEKTZGWGGFLGBQ-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000074556945 135390699 /nfs/dbraw/zinc/39/06/99/135390699.db2.gz VGDMUUBJEFZEIP-AOOOYVTPSA-N 1 2 234.365 0.751 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cscn1 ZINC000078639219 135395244 /nfs/dbraw/zinc/39/52/44/135395244.db2.gz UTGHTUHZTBTDHX-ZETCQYMHSA-N 1 2 234.346 0.666 20 0 BCADLO Cc1cc(N[C@H]2CCC(=O)NC2)nc[nH+]1 ZINC000082516859 135439380 /nfs/dbraw/zinc/43/93/80/135439380.db2.gz WYVOPIYGKWHDMM-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000343876877 135706661 /nfs/dbraw/zinc/70/66/61/135706661.db2.gz ZIPIXZFPIQRFLJ-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@@](C)(O)C2)cc[nH+]1 ZINC000334897086 135837166 /nfs/dbraw/zinc/83/71/66/135837166.db2.gz FPUBDZICADJIFQ-KLPPZKSPSA-N 1 2 235.287 0.847 20 0 BCADLO CCN1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)CC1=O ZINC000334901909 135838229 /nfs/dbraw/zinc/83/82/29/135838229.db2.gz YLAWTEOSMNGOFQ-QMMMGPOBSA-N 1 2 236.275 0.069 20 0 BCADLO O=C1CC[N@H+](Cc2ccn(C(F)F)n2)CCN1 ZINC000347715822 136003117 /nfs/dbraw/zinc/00/31/17/136003117.db2.gz HABKIYMBMNZRIS-UHFFFAOYSA-N 1 2 244.245 0.600 20 0 BCADLO O=C1CC[N@@H+](Cc2ccn(C(F)F)n2)CCN1 ZINC000347715822 136003118 /nfs/dbraw/zinc/00/31/18/136003118.db2.gz HABKIYMBMNZRIS-UHFFFAOYSA-N 1 2 244.245 0.600 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cnns1 ZINC000347782021 136009305 /nfs/dbraw/zinc/00/93/05/136009305.db2.gz OYORKFMWHNTCGT-WJWGPLDTSA-N 1 2 233.362 0.737 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cnns1 ZINC000347782021 136009306 /nfs/dbraw/zinc/00/93/06/136009306.db2.gz OYORKFMWHNTCGT-WJWGPLDTSA-N 1 2 233.362 0.737 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000347909460 136016116 /nfs/dbraw/zinc/01/61/16/136016116.db2.gz INPUXQMLXBSOKB-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000347909460 136016117 /nfs/dbraw/zinc/01/61/17/136016117.db2.gz INPUXQMLXBSOKB-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](CO)C1 ZINC000367016280 136018540 /nfs/dbraw/zinc/01/85/40/136018540.db2.gz PFGIMWJBCNOXLN-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348179665 136043214 /nfs/dbraw/zinc/04/32/14/136043214.db2.gz GMHXLLUOPRUMAP-NKWVEPMBSA-N 1 2 223.219 0.909 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCC3(CCC3)C2)nc1=O ZINC000348183939 136043830 /nfs/dbraw/zinc/04/38/30/136043830.db2.gz VVYMGXUPGISYOC-UHFFFAOYSA-N 1 2 236.319 0.875 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCC3(CCC3)C2)nc1=O ZINC000348183939 136043831 /nfs/dbraw/zinc/04/38/31/136043831.db2.gz VVYMGXUPGISYOC-UHFFFAOYSA-N 1 2 236.319 0.875 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cnc[nH]1 ZINC000348243849 136056500 /nfs/dbraw/zinc/05/65/00/136056500.db2.gz VNZMOEOACLEHOW-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1C ZINC000348281974 136059934 /nfs/dbraw/zinc/05/99/34/136059934.db2.gz NTNDEGQNRBBTJB-BQBZGAKWSA-N 1 2 249.240 0.983 20 0 BCADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1C ZINC000348281974 136059935 /nfs/dbraw/zinc/05/99/35/136059935.db2.gz NTNDEGQNRBBTJB-BQBZGAKWSA-N 1 2 249.240 0.983 20 0 BCADLO C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CO1 ZINC000335348405 136067344 /nfs/dbraw/zinc/06/73/44/136067344.db2.gz KNQIKBHXXIHGIM-IUCAKERBSA-N 1 2 238.291 0.397 20 0 BCADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000335351212 136069201 /nfs/dbraw/zinc/06/92/01/136069201.db2.gz CXKXOBMHGCYSHN-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000335351212 136069202 /nfs/dbraw/zinc/06/92/02/136069202.db2.gz CXKXOBMHGCYSHN-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ccn[nH]1 ZINC000348372724 136073495 /nfs/dbraw/zinc/07/34/95/136073495.db2.gz FRYIZKKLYRBCMM-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO CN(Cc1ccnn1C)Cc1c[nH+]cn1C ZINC000348415833 136077411 /nfs/dbraw/zinc/07/74/11/136077411.db2.gz ZOPKNZVIBSQZEL-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000348438493 136078839 /nfs/dbraw/zinc/07/88/39/136078839.db2.gz OPQFSFDXUFOXMF-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000348438493 136078840 /nfs/dbraw/zinc/07/88/40/136078840.db2.gz OPQFSFDXUFOXMF-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H](O)C2)c[nH+]1 ZINC000335400490 136094383 /nfs/dbraw/zinc/09/43/83/136094383.db2.gz JYGVVENGQUUTKN-ZJUUUORDSA-N 1 2 237.303 0.999 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335549242 136097266 /nfs/dbraw/zinc/09/72/66/136097266.db2.gz SVTRECTYWOSAFU-SECBINFHSA-N 1 2 235.287 0.303 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558944 136100618 /nfs/dbraw/zinc/10/06/18/136100618.db2.gz OVGGXERDVILEKF-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@H]1COCC[N@@H+]1CC ZINC000335560037 136100919 /nfs/dbraw/zinc/10/09/19/136100919.db2.gz SGENKZDGGOPSCF-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@H]1COCC[N@H+]1CC ZINC000335560037 136100920 /nfs/dbraw/zinc/10/09/20/136100920.db2.gz SGENKZDGGOPSCF-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1O ZINC000367047438 136112073 /nfs/dbraw/zinc/11/20/73/136112073.db2.gz JEASTKWRMDJNJD-HLTSFMKQSA-N 1 2 248.273 0.213 20 0 BCADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@@H]1COC[C@H]1O ZINC000348646816 136114986 /nfs/dbraw/zinc/11/49/86/136114986.db2.gz QAHVHNJSAVEPFW-RKDXNWHRSA-N 1 2 247.245 0.470 20 0 BCADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@@H]1COC[C@H]1O ZINC000348646816 136114987 /nfs/dbraw/zinc/11/49/87/136114987.db2.gz QAHVHNJSAVEPFW-RKDXNWHRSA-N 1 2 247.245 0.470 20 0 BCADLO O=C(N[C@H](CO)C1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636158778 397748470 /nfs/dbraw/zinc/74/84/70/397748470.db2.gz VATBWLWOLATIKA-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@H](CO)C1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636158778 397748474 /nfs/dbraw/zinc/74/84/74/397748474.db2.gz VATBWLWOLATIKA-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000570627076 397755600 /nfs/dbraw/zinc/75/56/00/397755600.db2.gz DBBDEECTBAUVHW-JTQLQIEISA-N 1 2 238.335 0.673 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000570627076 397755603 /nfs/dbraw/zinc/75/56/03/397755603.db2.gz DBBDEECTBAUVHW-JTQLQIEISA-N 1 2 238.335 0.673 20 0 BCADLO COC(=O)CCCC(=O)NCc1[nH]cc[nH+]1 ZINC000164611834 397793708 /nfs/dbraw/zinc/79/37/08/397793708.db2.gz DIFHWLXWRJYBDD-UHFFFAOYSA-N 1 2 225.248 0.369 20 0 BCADLO Cc1[nH]ncc1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000636067319 397742623 /nfs/dbraw/zinc/74/26/23/397742623.db2.gz QNNUDSYFMUOUHW-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1[nH]ncc1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000636067319 397742625 /nfs/dbraw/zinc/74/26/25/397742625.db2.gz QNNUDSYFMUOUHW-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1CCCCO1 ZINC000408047193 397840585 /nfs/dbraw/zinc/84/05/85/397840585.db2.gz ZOHKBTDKSGHBKJ-BBBLOLIVSA-N 1 2 230.283 0.453 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1CCCCO1 ZINC000408047193 397840588 /nfs/dbraw/zinc/84/05/88/397840588.db2.gz ZOHKBTDKSGHBKJ-BBBLOLIVSA-N 1 2 230.283 0.453 20 0 BCADLO CCN1CCC[N@H+](Cc2c[nH]nc2C)CC1=O ZINC000191541537 397889864 /nfs/dbraw/zinc/88/98/64/397889864.db2.gz WWFOFPQUZHDDSO-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CCN1CCC[N@@H+](Cc2c[nH]nc2C)CC1=O ZINC000191541537 397889865 /nfs/dbraw/zinc/88/98/65/397889865.db2.gz WWFOFPQUZHDDSO-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCOC2)c[nH+]1 ZINC000264833499 397928447 /nfs/dbraw/zinc/92/84/47/397928447.db2.gz JMGUGHWMTBDSDW-MRVPVSSYSA-N 1 2 209.249 0.484 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cnn(C)c2)c[nH+]1 ZINC000266667934 397937882 /nfs/dbraw/zinc/93/78/82/397937882.db2.gz YLXSNJZJDRNNSB-ZETCQYMHSA-N 1 2 233.275 0.943 20 0 BCADLO Cn1ccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000290119710 397937899 /nfs/dbraw/zinc/93/78/99/397937899.db2.gz LYXIFUIYMGBOGC-UHFFFAOYSA-N 1 2 205.265 0.443 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nnc(C)[nH]1 ZINC000292250303 397945372 /nfs/dbraw/zinc/94/53/72/397945372.db2.gz UMIYQYBRKZSMCB-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nnc(C)[nH]1 ZINC000292250303 397945378 /nfs/dbraw/zinc/94/53/78/397945378.db2.gz UMIYQYBRKZSMCB-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(C)c1 ZINC000268715883 397953208 /nfs/dbraw/zinc/95/32/08/397953208.db2.gz YQXDACYZUMSJCA-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H]1CCO ZINC000493547553 397956802 /nfs/dbraw/zinc/95/68/02/397956802.db2.gz FNMYISKKJLXJRX-XOULXFPDSA-N 1 2 235.287 0.796 20 0 BCADLO Cc1nnc(NC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000270026058 397960331 /nfs/dbraw/zinc/96/03/31/397960331.db2.gz GMYIXRWXIJZXLE-UHFFFAOYSA-N 1 2 238.276 0.891 20 0 BCADLO Cc1nc(N2CC(CC(N)=O)C2)c(C)c(C)[nH+]1 ZINC000360070134 397961180 /nfs/dbraw/zinc/96/11/80/397961180.db2.gz CFPVXSZBPRQNMS-UHFFFAOYSA-N 1 2 234.303 0.713 20 0 BCADLO CCOCCCCNc1nc(C)[nH+]c(N)n1 ZINC000388467184 397898093 /nfs/dbraw/zinc/89/80/93/397898093.db2.gz KCVVUQDAIAHHQX-UHFFFAOYSA-N 1 2 225.296 0.243 20 0 BCADLO CCOCCCCNc1nc(N)nc(C)[nH+]1 ZINC000388467184 397898095 /nfs/dbraw/zinc/89/80/95/397898095.db2.gz KCVVUQDAIAHHQX-UHFFFAOYSA-N 1 2 225.296 0.243 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)C ZINC000364693725 397908684 /nfs/dbraw/zinc/90/86/84/397908684.db2.gz DREBKZBUHOLDKO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)N(C)C ZINC000364693725 397908687 /nfs/dbraw/zinc/90/86/87/397908687.db2.gz DREBKZBUHOLDKO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO Cc1nc(NCCC(C)(F)F)nc(N)[nH+]1 ZINC000382216731 397922189 /nfs/dbraw/zinc/92/21/89/397922189.db2.gz XWBYYWUKACDUEM-UHFFFAOYSA-N 1 2 217.223 0.472 20 0 BCADLO Cc1nc(N)nc(NCCC(C)(F)F)[nH+]1 ZINC000382216731 397922195 /nfs/dbraw/zinc/92/21/95/397922195.db2.gz XWBYYWUKACDUEM-UHFFFAOYSA-N 1 2 217.223 0.472 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)CC2)s1 ZINC000271524613 397968697 /nfs/dbraw/zinc/96/86/97/397968697.db2.gz NLCDOEAOOZOTIT-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000271524613 397968699 /nfs/dbraw/zinc/96/86/99/397968699.db2.gz NLCDOEAOOZOTIT-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO COC1(C)CN(c2cc(CO)cc[nH+]2)C1 ZINC000382931304 397990225 /nfs/dbraw/zinc/99/02/25/397990225.db2.gz KSHCSTSSOJAXKS-UHFFFAOYSA-N 1 2 208.261 0.799 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000261077364 397991898 /nfs/dbraw/zinc/99/18/98/397991898.db2.gz QWIGNVFDZJDJNU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000261077364 397991901 /nfs/dbraw/zinc/99/19/01/397991901.db2.gz QWIGNVFDZJDJNU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000372288818 397999732 /nfs/dbraw/zinc/99/97/32/397999732.db2.gz MNDHVUXCPULQIL-MRVPVSSYSA-N 1 2 222.292 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000372288818 397999736 /nfs/dbraw/zinc/99/97/36/397999736.db2.gz MNDHVUXCPULQIL-MRVPVSSYSA-N 1 2 222.292 0.324 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000302748669 398000923 /nfs/dbraw/zinc/00/09/23/398000923.db2.gz UHVHDMZOQXZVFH-JTQLQIEISA-N 1 2 241.335 0.243 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000302748669 398000926 /nfs/dbraw/zinc/00/09/26/398000926.db2.gz UHVHDMZOQXZVFH-JTQLQIEISA-N 1 2 241.335 0.243 20 0 BCADLO CONC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000372492824 398003455 /nfs/dbraw/zinc/00/34/55/398003455.db2.gz SRBNSZKIQBPQEF-UHFFFAOYSA-N 1 2 247.258 0.628 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000372506243 398004189 /nfs/dbraw/zinc/00/41/89/398004189.db2.gz WBWNNJGZMHWFHF-GFCCVEGCSA-N 1 2 233.271 0.277 20 0 BCADLO O=c1ccccn1CC[N@H+](C1CC1)C1COC1 ZINC000649696287 398046185 /nfs/dbraw/zinc/04/61/85/398046185.db2.gz NLWDLQGOGFOKDX-UHFFFAOYSA-N 1 2 234.299 0.712 20 0 BCADLO O=c1ccccn1CC[N@@H+](C1CC1)C1COC1 ZINC000649696287 398046188 /nfs/dbraw/zinc/04/61/88/398046188.db2.gz NLWDLQGOGFOKDX-UHFFFAOYSA-N 1 2 234.299 0.712 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408195169 398020741 /nfs/dbraw/zinc/02/07/41/398020741.db2.gz LSJZNMCSSHCFTP-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408195169 398020746 /nfs/dbraw/zinc/02/07/46/398020746.db2.gz LSJZNMCSSHCFTP-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)O1 ZINC000408195747 398026290 /nfs/dbraw/zinc/02/62/90/398026290.db2.gz UKPJIXAXGUWIDT-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)O1 ZINC000408195747 398026291 /nfs/dbraw/zinc/02/62/91/398026291.db2.gz UKPJIXAXGUWIDT-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO Cc1nc(N[C@H](C)[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000389110077 398026662 /nfs/dbraw/zinc/02/66/62/398026662.db2.gz KLHQNCHOKFCRGR-VXNVDRBHSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@@H]2CCCOC2)[nH+]1 ZINC000389110077 398026664 /nfs/dbraw/zinc/02/66/64/398026664.db2.gz KLHQNCHOKFCRGR-VXNVDRBHSA-N 1 2 237.307 0.241 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccnn1C ZINC000277763792 398033513 /nfs/dbraw/zinc/03/35/13/398033513.db2.gz SLYPMTYWUMRTKV-JTQLQIEISA-N 1 2 247.302 0.364 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)OC[C@H]1C ZINC000278584568 398039768 /nfs/dbraw/zinc/03/97/68/398039768.db2.gz JYHGYVMOKFZGAT-BDAKNGLRSA-N 1 2 237.303 0.896 20 0 BCADLO O=C(C(F)F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000369609750 397984074 /nfs/dbraw/zinc/98/40/74/397984074.db2.gz SLSFWOOCPJKQOG-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO CC1(C(=O)NCCn2cc[nH+]c2)COC1 ZINC000272764750 397986402 /nfs/dbraw/zinc/98/64/02/397986402.db2.gz RGDRTWODUOHNQW-UHFFFAOYSA-N 1 2 209.249 0.036 20 0 BCADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000528428702 397986634 /nfs/dbraw/zinc/98/66/34/397986634.db2.gz DRNXEPHVFWRCSD-BNFOFFDWSA-N 1 2 246.738 0.654 20 0 BCADLO C[N@@H+]1CCC[C@@H]1CN1CC[C@H](S(C)(=O)=O)C1 ZINC000649600348 397987309 /nfs/dbraw/zinc/98/73/09/397987309.db2.gz FOGZWORLIQMRFU-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@@H]1CN1CC[C@H](S(C)(=O)=O)C1 ZINC000649600348 397987313 /nfs/dbraw/zinc/98/73/13/397987313.db2.gz FOGZWORLIQMRFU-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO CC(C)O[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000649702622 398050094 /nfs/dbraw/zinc/05/00/94/398050094.db2.gz ITKQRWPGHHJNBO-SECBINFHSA-N 1 2 240.307 0.900 20 0 BCADLO Cc1cncc(CC[N@@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000649600841 397988375 /nfs/dbraw/zinc/98/83/75/397988375.db2.gz UWRQPQLAXUWLLO-LLVKDONJSA-N 1 2 248.330 0.490 20 0 BCADLO Cc1cncc(CC[N@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000649600841 397988379 /nfs/dbraw/zinc/98/83/79/397988379.db2.gz UWRQPQLAXUWLLO-LLVKDONJSA-N 1 2 248.330 0.490 20 0 BCADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000649702622 398050095 /nfs/dbraw/zinc/05/00/95/398050095.db2.gz ITKQRWPGHHJNBO-SECBINFHSA-N 1 2 240.307 0.900 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000649730584 398069068 /nfs/dbraw/zinc/06/90/68/398069068.db2.gz ULSNYQXILVMANL-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000649730584 398069073 /nfs/dbraw/zinc/06/90/73/398069073.db2.gz ULSNYQXILVMANL-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000283473443 398073981 /nfs/dbraw/zinc/07/39/81/398073981.db2.gz PLYBPNRNIXZZGH-UWVGGRQHSA-N 1 2 237.303 0.896 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000649736494 398077904 /nfs/dbraw/zinc/07/79/04/398077904.db2.gz BRXHVBKZYNUUOF-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000649736494 398077907 /nfs/dbraw/zinc/07/79/07/398077907.db2.gz BRXHVBKZYNUUOF-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccon1 ZINC000649742729 398080529 /nfs/dbraw/zinc/08/05/29/398080529.db2.gz PDTDYGLMGMSXHJ-VHSXEESVSA-N 1 2 212.249 0.256 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccon1 ZINC000649742729 398080531 /nfs/dbraw/zinc/08/05/31/398080531.db2.gz PDTDYGLMGMSXHJ-VHSXEESVSA-N 1 2 212.249 0.256 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186957809 398080717 /nfs/dbraw/zinc/08/07/17/398080717.db2.gz NPNJJCCKURFZCO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186957809 398080718 /nfs/dbraw/zinc/08/07/18/398080718.db2.gz NPNJJCCKURFZCO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649742775 398080745 /nfs/dbraw/zinc/08/07/45/398080745.db2.gz QXBYZLREIIVCFD-WDEREUQCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649742775 398080749 /nfs/dbraw/zinc/08/07/49/398080749.db2.gz QXBYZLREIIVCFD-WDEREUQCSA-N 1 2 239.319 0.485 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccs1 ZINC000649743879 398081353 /nfs/dbraw/zinc/08/13/53/398081353.db2.gz GCRLCGIXOWNSGV-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccs1 ZINC000649743879 398081355 /nfs/dbraw/zinc/08/13/55/398081355.db2.gz GCRLCGIXOWNSGV-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO COc1ccc[nH+]c1NCc1ncnn1C ZINC000389400956 398081679 /nfs/dbraw/zinc/08/16/79/398081679.db2.gz HIQBMOKBKNKTOB-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC000649741402 398081675 /nfs/dbraw/zinc/08/16/75/398081675.db2.gz NPEZDUHQWUPKMN-DTWKUNHWSA-N 1 2 241.291 0.214 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC000649741402 398081678 /nfs/dbraw/zinc/08/16/78/398081678.db2.gz NPEZDUHQWUPKMN-DTWKUNHWSA-N 1 2 241.291 0.214 20 0 BCADLO C[N@H+](Cc1nccs1)[C@H]1COC[C@@H]1O ZINC000307756473 398084195 /nfs/dbraw/zinc/08/41/95/398084195.db2.gz IFDLGVZAZWLMGO-YUMQZZPRSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@H]1COC[C@@H]1O ZINC000307756473 398084198 /nfs/dbraw/zinc/08/41/98/398084198.db2.gz IFDLGVZAZWLMGO-YUMQZZPRSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000290986358 398087780 /nfs/dbraw/zinc/08/77/80/398087780.db2.gz ZFXVCSMJWAOVRO-RFAUZJTJSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000290986358 398087786 /nfs/dbraw/zinc/08/77/86/398087786.db2.gz ZFXVCSMJWAOVRO-RFAUZJTJSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000290986358 398087788 /nfs/dbraw/zinc/08/77/88/398087788.db2.gz ZFXVCSMJWAOVRO-RFAUZJTJSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000290986358 398087791 /nfs/dbraw/zinc/08/77/91/398087791.db2.gz ZFXVCSMJWAOVRO-RFAUZJTJSA-N 1 2 229.349 0.917 20 0 BCADLO CSCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603228807 398089665 /nfs/dbraw/zinc/08/96/65/398089665.db2.gz HRROFXBFGSTPDL-SNVBAGLBSA-N 1 2 242.348 0.692 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(N)n1 ZINC000051072166 398055025 /nfs/dbraw/zinc/05/50/25/398055025.db2.gz CQUIICKUHOVTKQ-SECBINFHSA-N 1 2 245.286 0.679 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC000613400787 398098316 /nfs/dbraw/zinc/09/83/16/398098316.db2.gz AWGARPWDYPYOPR-IAZYJMLFSA-N 1 2 247.298 0.426 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000649799559 398108680 /nfs/dbraw/zinc/10/86/80/398108680.db2.gz ZFSXNGSUGPBAPA-SECBINFHSA-N 1 2 224.308 0.645 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000649799559 398108684 /nfs/dbraw/zinc/10/86/84/398108684.db2.gz ZFSXNGSUGPBAPA-SECBINFHSA-N 1 2 224.308 0.645 20 0 BCADLO COCc1cc(C[NH2+][C@@H]2COC[C@H]2OC)no1 ZINC000569342041 398106674 /nfs/dbraw/zinc/10/66/74/398106674.db2.gz LRVLQYPREUFITM-GHMZBOCLSA-N 1 2 242.275 0.324 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000649799559 398108677 /nfs/dbraw/zinc/10/86/77/398108677.db2.gz ZFSXNGSUGPBAPA-SECBINFHSA-N 1 2 224.308 0.645 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCC[C@H]2C)c[nH+]1 ZINC000293949627 398119082 /nfs/dbraw/zinc/11/90/82/398119082.db2.gz AHDAXCAREZQURI-PRHODGIISA-N 1 2 237.303 0.999 20 0 BCADLO CCCN(CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC000346897551 398115150 /nfs/dbraw/zinc/11/51/50/398115150.db2.gz ZYHSZZOOCQHLMW-UHFFFAOYSA-N 1 2 238.291 0.066 20 0 BCADLO CCCN(CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC000346897551 398115155 /nfs/dbraw/zinc/11/51/55/398115155.db2.gz ZYHSZZOOCQHLMW-UHFFFAOYSA-N 1 2 238.291 0.066 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)s1 ZINC000284650612 398128541 /nfs/dbraw/zinc/12/85/41/398128541.db2.gz WSXSIIASZOAYQT-VDTYLAMSSA-N 1 2 242.304 0.162 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214184 398130387 /nfs/dbraw/zinc/13/03/87/398130387.db2.gz KSUVBTNOSNXIQM-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C2(CCC2)CO1 ZINC000649821651 398122664 /nfs/dbraw/zinc/12/26/64/398122664.db2.gz NBIOISDJYLFERW-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C2(CCC2)CO1 ZINC000649821651 398122665 /nfs/dbraw/zinc/12/26/65/398122665.db2.gz NBIOISDJYLFERW-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO CC(F)(F)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637174172 398123294 /nfs/dbraw/zinc/12/32/94/398123294.db2.gz RIGBGSJINGDUEE-ZETCQYMHSA-N 1 2 244.245 0.762 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000385090661 398132971 /nfs/dbraw/zinc/13/29/71/398132971.db2.gz LCTKVJVKTGIFST-WPRPVWTQSA-N 1 2 208.261 0.533 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368782595 167021286 /nfs/dbraw/zinc/02/12/86/167021286.db2.gz CPLJTGLPWGSIIF-JTQLQIEISA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368782595 167021289 /nfs/dbraw/zinc/02/12/89/167021289.db2.gz CPLJTGLPWGSIIF-JTQLQIEISA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364399653 167051127 /nfs/dbraw/zinc/05/11/27/167051127.db2.gz KGJQTARDVNOKOL-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364399653 167051130 /nfs/dbraw/zinc/05/11/30/167051130.db2.gz KGJQTARDVNOKOL-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CNC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000234342755 173277065 /nfs/dbraw/zinc/27/70/65/173277065.db2.gz FYIUSLRLUQCQEU-UHFFFAOYSA-N 1 2 213.306 0.714 20 0 BCADLO COCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000307106682 174318872 /nfs/dbraw/zinc/31/88/72/174318872.db2.gz FAXPFAFJTHIENI-WOFXILAISA-N 1 2 205.323 0.474 20 0 BCADLO COCCSCCC[N@H+]1CCNC(=O)C1 ZINC000362929101 174374240 /nfs/dbraw/zinc/37/42/40/174374240.db2.gz ZQCQRHSIHUKHSI-UHFFFAOYSA-N 1 2 232.349 0.188 20 0 BCADLO c1nn2c(c1C[NH+]1CCOCC1)CCC2 ZINC000667461912 487560702 /nfs/dbraw/zinc/56/07/02/487560702.db2.gz RKBSECAREZVZSI-UHFFFAOYSA-N 1 2 207.277 0.662 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000685618631 487562894 /nfs/dbraw/zinc/56/28/94/487562894.db2.gz LZAAJLJDEYRCEZ-ZYHUDNBSSA-N 1 2 238.335 0.527 20 0 BCADLO CCN1CC[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1=O ZINC000670170866 487565800 /nfs/dbraw/zinc/56/58/00/487565800.db2.gz ZABBUKIJVHPWPK-MRVPVSSYSA-N 1 2 236.275 0.069 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000141028624 487566253 /nfs/dbraw/zinc/56/62/53/487566253.db2.gz PLIMWMVOJHXZOW-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CC(C)OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000128721194 167187048 /nfs/dbraw/zinc/18/70/48/167187048.db2.gz WAFJOXAAMPTZQO-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO Cn1ccc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000685631655 487568507 /nfs/dbraw/zinc/56/85/07/487568507.db2.gz BNCLHULSDYWWFQ-UHFFFAOYSA-N 1 2 246.274 0.664 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000680343606 487570170 /nfs/dbraw/zinc/57/01/70/487570170.db2.gz IFUPSRJTJHWJTM-SCZZXKLOSA-N 1 2 207.277 0.735 20 0 BCADLO Cc1nc(N2CCC3(CNC(=O)C3)CC2)cc[nH+]1 ZINC000674409682 487570739 /nfs/dbraw/zinc/57/07/39/487570739.db2.gz KURYRYVHLPUSOQ-UHFFFAOYSA-N 1 2 246.314 0.892 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC12CCOCC2 ZINC000530896008 322897747 /nfs/dbraw/zinc/89/77/47/322897747.db2.gz ZEYUZSKVSCBERC-LLVKDONJSA-N 1 2 249.314 0.816 20 0 BCADLO CC(C)OCCC[N@H+](C)Cc1nnnn1C ZINC000336661774 167210718 /nfs/dbraw/zinc/21/07/18/167210718.db2.gz CDQAQEDUSLUZLN-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)OCCC[N@@H+](C)Cc1nnnn1C ZINC000336661774 167210720 /nfs/dbraw/zinc/21/07/20/167210720.db2.gz CDQAQEDUSLUZLN-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO Cc1ccnc(C[NH2+][C@@H](CO)[C@H]2CCCO2)n1 ZINC000447917715 322903832 /nfs/dbraw/zinc/90/38/32/322903832.db2.gz YJYKDZWBFCLOJE-WDEREUQCSA-N 1 2 237.303 0.415 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000674465721 487581258 /nfs/dbraw/zinc/58/12/58/487581258.db2.gz PQNRUIJRBOOKLO-PHIMTYICSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2F)C1 ZINC000674465721 487581262 /nfs/dbraw/zinc/58/12/62/487581262.db2.gz PQNRUIJRBOOKLO-PHIMTYICSA-N 1 2 243.253 0.892 20 0 BCADLO CC(C)OCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358821775 167235389 /nfs/dbraw/zinc/23/53/89/167235389.db2.gz XJOLODBHQLHNEH-SECBINFHSA-N 1 2 232.349 0.314 20 0 BCADLO CC(C)OCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358821775 167235392 /nfs/dbraw/zinc/23/53/92/167235392.db2.gz XJOLODBHQLHNEH-SECBINFHSA-N 1 2 232.349 0.314 20 0 BCADLO CC1(C[NH+]2CC(S(C)(=O)=O)C2)CCC1 ZINC000334935607 487585706 /nfs/dbraw/zinc/58/57/06/487585706.db2.gz NNPKQTREQPLZIY-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672156893 487595408 /nfs/dbraw/zinc/59/54/08/487595408.db2.gz WILLJRVODCVFEC-YWVKMMECSA-N 1 2 219.288 0.970 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530309094 487595828 /nfs/dbraw/zinc/59/58/28/487595828.db2.gz AEMNNJVKDCBLJY-UWVGGRQHSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530309094 487595834 /nfs/dbraw/zinc/59/58/34/487595834.db2.gz AEMNNJVKDCBLJY-UWVGGRQHSA-N 1 2 223.276 0.636 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749854 487604126 /nfs/dbraw/zinc/60/41/26/487604126.db2.gz RKVZTUMJRNJKQM-LBPRGKRZSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749854 487604130 /nfs/dbraw/zinc/60/41/30/487604130.db2.gz RKVZTUMJRNJKQM-LBPRGKRZSA-N 1 2 236.319 0.850 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCOCC1 ZINC000363933843 167317591 /nfs/dbraw/zinc/31/75/91/167317591.db2.gz SLUUHHSVQAYNDX-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@H+]1CCCOCC1 ZINC000363933843 167317595 /nfs/dbraw/zinc/31/75/95/167317595.db2.gz SLUUHHSVQAYNDX-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000674715986 487608227 /nfs/dbraw/zinc/60/82/27/487608227.db2.gz LILAROCZRWULLV-VIFPVBQESA-N 1 2 211.265 0.841 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000674715986 487608231 /nfs/dbraw/zinc/60/82/31/487608231.db2.gz LILAROCZRWULLV-VIFPVBQESA-N 1 2 211.265 0.841 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3cccc(F)c3C2)C(=O)N1 ZINC000653281008 487609076 /nfs/dbraw/zinc/60/90/76/487609076.db2.gz UJHCOLDRCRNGBK-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3cccc(F)c3C2)C(=O)N1 ZINC000653281008 487609084 /nfs/dbraw/zinc/60/90/84/487609084.db2.gz UJHCOLDRCRNGBK-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO Cn1nncc1C[N@H+](C)CC1=CCSC1 ZINC000662267750 409569913 /nfs/dbraw/zinc/56/99/13/409569913.db2.gz YBNFMMRFYSTCOZ-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cn1nncc1C[N@@H+](C)CC1=CCSC1 ZINC000662267750 409569923 /nfs/dbraw/zinc/56/99/23/409569923.db2.gz YBNFMMRFYSTCOZ-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000650106207 409584456 /nfs/dbraw/zinc/58/44/56/409584456.db2.gz NFHHLQQNXUYTCL-WAAGHKOSSA-N 1 2 248.286 0.197 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCCCO)C1 ZINC000660731878 409675471 /nfs/dbraw/zinc/67/54/71/409675471.db2.gz HOECGWAELGDMKV-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2ccn(C)n2)C1=O ZINC000660780671 409737829 /nfs/dbraw/zinc/73/78/29/409737829.db2.gz OIRUHDBNGJIYGU-WPRPVWTQSA-N 1 2 238.291 0.233 20 0 BCADLO Cn1nnnc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660785470 409745466 /nfs/dbraw/zinc/74/54/66/409745466.db2.gz LGYXQKUGAHSTAW-UHFFFAOYSA-N 1 2 237.307 0.090 20 0 BCADLO Cn1nnnc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660785470 409745475 /nfs/dbraw/zinc/74/54/75/409745475.db2.gz LGYXQKUGAHSTAW-UHFFFAOYSA-N 1 2 237.307 0.090 20 0 BCADLO COCC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000655252816 409754329 /nfs/dbraw/zinc/75/43/29/409754329.db2.gz YNKNKOHFTJHJJQ-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COCC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000655252816 409754334 /nfs/dbraw/zinc/75/43/34/409754334.db2.gz YNKNKOHFTJHJJQ-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C[N@H+](CCC(C)(C)O)Cc1n[nH]c(=O)o1 ZINC000660839361 409828691 /nfs/dbraw/zinc/82/86/91/409828691.db2.gz ADFTYYARETZMPA-UHFFFAOYSA-N 1 2 215.253 0.368 20 0 BCADLO C[N@@H+](CCC(C)(C)O)Cc1n[nH]c(=O)o1 ZINC000660839361 409828698 /nfs/dbraw/zinc/82/86/98/409828698.db2.gz ADFTYYARETZMPA-UHFFFAOYSA-N 1 2 215.253 0.368 20 0 BCADLO C[C@@H](O)[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660813417 409783333 /nfs/dbraw/zinc/78/33/33/409783333.db2.gz VEBYILKRCCUGRZ-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCOC1 ZINC000660948077 409986421 /nfs/dbraw/zinc/98/64/21/409986421.db2.gz XBVZQHRRGZSIRC-QMMMGPOBSA-N 1 2 224.264 0.340 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCOC1 ZINC000660948077 409986429 /nfs/dbraw/zinc/98/64/29/409986429.db2.gz XBVZQHRRGZSIRC-QMMMGPOBSA-N 1 2 224.264 0.340 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1C[C@H](O)C1 ZINC000663241570 410086204 /nfs/dbraw/zinc/08/62/04/410086204.db2.gz HXFVRPPWLZLKQW-MGCOHNPYSA-N 1 2 238.291 0.096 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nccc(N)n1 ZINC000661088917 410157405 /nfs/dbraw/zinc/15/74/05/410157405.db2.gz QPFGWUQEWPZSQN-UHFFFAOYSA-N 1 2 218.264 0.414 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nccc(N)n1 ZINC000661088917 410157412 /nfs/dbraw/zinc/15/74/12/410157412.db2.gz QPFGWUQEWPZSQN-UHFFFAOYSA-N 1 2 218.264 0.414 20 0 BCADLO COC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000655402415 410208691 /nfs/dbraw/zinc/20/86/91/410208691.db2.gz GTCWJTLBUOHGKA-SSDOTTSWSA-N 1 2 209.249 0.766 20 0 BCADLO CCCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000655403488 410209064 /nfs/dbraw/zinc/20/90/64/410209064.db2.gz NGBRTHJNEGJYDY-MRVPVSSYSA-N 1 2 248.290 0.902 20 0 BCADLO Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)nn1 ZINC000663544190 410288071 /nfs/dbraw/zinc/28/80/71/410288071.db2.gz DREPPERHSXKURL-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)nn1 ZINC000663544190 410288075 /nfs/dbraw/zinc/28/80/75/410288075.db2.gz DREPPERHSXKURL-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@H](O)CC2)c1 ZINC000393151913 410302010 /nfs/dbraw/zinc/30/20/10/410302010.db2.gz NCNYPRILFQDMOH-NSHDSACASA-N 1 2 222.288 0.925 20 0 BCADLO C[NH+](C)CCNS(=O)(=O)c1ccccc1O ZINC000071559107 410458744 /nfs/dbraw/zinc/45/87/44/410458744.db2.gz KIYIEMZZBZMMMB-UHFFFAOYSA-N 1 2 244.316 0.232 20 0 BCADLO CNC(=O)CN(C)c1cc[nH+]c2ccncc21 ZINC000085653335 410466156 /nfs/dbraw/zinc/46/61/56/410466156.db2.gz CNKPADDAQCSSCO-UHFFFAOYSA-N 1 2 230.271 0.812 20 0 BCADLO CCc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000680580664 487617159 /nfs/dbraw/zinc/61/71/59/487617159.db2.gz BDMHKTBKNYQONR-UHFFFAOYSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000680580664 487617166 /nfs/dbraw/zinc/61/71/66/487617166.db2.gz BDMHKTBKNYQONR-UHFFFAOYSA-N 1 2 211.265 0.587 20 0 BCADLO C/C=C/CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000624656006 410676060 /nfs/dbraw/zinc/67/60/60/410676060.db2.gz CFEWTSVDKBWKTO-ONEGZZNKSA-N 1 2 218.264 0.934 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000680581172 487617922 /nfs/dbraw/zinc/61/79/22/487617922.db2.gz NOMREXXBIVKYCW-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000680581172 487617924 /nfs/dbraw/zinc/61/79/24/487617924.db2.gz NOMREXXBIVKYCW-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1nnc(C)o1 ZINC000661530229 410730002 /nfs/dbraw/zinc/73/00/02/410730002.db2.gz QGDBLBRCWVHBPB-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1nnc(C)o1 ZINC000661530229 410730006 /nfs/dbraw/zinc/73/00/06/410730006.db2.gz QGDBLBRCWVHBPB-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO C[C@@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651085165 410792235 /nfs/dbraw/zinc/79/22/35/410792235.db2.gz DPOXZLUTVJUYPX-VIFPVBQESA-N 1 2 237.303 0.259 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442576 167020596 /nfs/dbraw/zinc/02/05/96/167020596.db2.gz RDYKRBLPULLNHU-URLYPYJESA-N 1 2 227.304 0.356 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442576 167020598 /nfs/dbraw/zinc/02/05/98/167020598.db2.gz RDYKRBLPULLNHU-URLYPYJESA-N 1 2 227.304 0.356 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000120276944 167048074 /nfs/dbraw/zinc/04/80/74/167048074.db2.gz DCXCGGOXUUWJAI-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000120276944 167048077 /nfs/dbraw/zinc/04/80/77/167048077.db2.gz DCXCGGOXUUWJAI-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000271035560 167048776 /nfs/dbraw/zinc/04/87/76/167048776.db2.gz KOCUHTUBAVXOFY-UHFFFAOYSA-N 1 2 240.303 0.728 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000271035560 167048778 /nfs/dbraw/zinc/04/87/78/167048778.db2.gz KOCUHTUBAVXOFY-UHFFFAOYSA-N 1 2 240.303 0.728 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cccn1C ZINC000153290021 167049268 /nfs/dbraw/zinc/04/92/68/167049268.db2.gz JBAWPTKFCBLGAT-UHFFFAOYSA-N 1 2 223.320 0.982 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccn1C ZINC000153290021 167049270 /nfs/dbraw/zinc/04/92/70/167049270.db2.gz JBAWPTKFCBLGAT-UHFFFAOYSA-N 1 2 223.320 0.982 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cccnc1N ZINC000052729346 167049454 /nfs/dbraw/zinc/04/94/54/167049454.db2.gz DTQJTBFRLSSDDI-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccnc1N ZINC000052729346 167049457 /nfs/dbraw/zinc/04/94/57/167049457.db2.gz DTQJTBFRLSSDDI-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO CCCOCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396914142 410908040 /nfs/dbraw/zinc/90/80/40/410908040.db2.gz OKIXMJSRSJVMQD-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCCOCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396914142 410908046 /nfs/dbraw/zinc/90/80/46/410908046.db2.gz OKIXMJSRSJVMQD-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO Cc1nccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000396917552 410909165 /nfs/dbraw/zinc/90/91/65/410909165.db2.gz VMJCECSCAUASNT-SSDOTTSWSA-N 1 2 231.259 0.999 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cc(C)[nH+]cn1 ZINC000651410277 410993426 /nfs/dbraw/zinc/99/34/26/410993426.db2.gz OZWSBLAYLVSDED-VHSXEESVSA-N 1 2 223.276 0.371 20 0 BCADLO CC[C@](C)([NH2+]Cc1nccc(C)n1)C(N)=O ZINC000310013192 410995917 /nfs/dbraw/zinc/99/59/17/410995917.db2.gz JOEGEJPYVVDWTE-NSHDSACASA-N 1 2 222.292 0.529 20 0 BCADLO CN(Cc1cnn(C)c1)c1cc(CO)cc[nH+]1 ZINC000042489214 411008342 /nfs/dbraw/zinc/00/83/42/411008342.db2.gz ZWWLTAHLEFLGMF-UHFFFAOYSA-N 1 2 232.287 0.944 20 0 BCADLO Nc1[nH+]cnc(N[C@@H](CO)CCF)c1Cl ZINC000651463472 411046518 /nfs/dbraw/zinc/04/65/18/411046518.db2.gz UYOKBVLVNKNDRA-RXMQYKEDSA-N 1 2 234.662 0.845 20 0 BCADLO Nc1nc[nH+]c(N[C@@H](CO)CCF)c1Cl ZINC000651463472 411046524 /nfs/dbraw/zinc/04/65/24/411046524.db2.gz UYOKBVLVNKNDRA-RXMQYKEDSA-N 1 2 234.662 0.845 20 0 BCADLO C[C@@H](CCO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000651471425 411051938 /nfs/dbraw/zinc/05/19/38/411051938.db2.gz UFBCKMMILWCOJU-JTQLQIEISA-N 1 2 247.302 0.869 20 0 BCADLO CCN(CCO)C(=O)NCCCn1cc[nH+]c1 ZINC000042898084 411057889 /nfs/dbraw/zinc/05/78/89/411057889.db2.gz KQESPHLWLYAGCQ-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399869501 411067581 /nfs/dbraw/zinc/06/75/81/411067581.db2.gz SYBHDXCSCURHBC-MRVPVSSYSA-N 1 2 229.305 0.040 20 0 BCADLO Cc1nnsc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399869501 411067588 /nfs/dbraw/zinc/06/75/88/411067588.db2.gz SYBHDXCSCURHBC-MRVPVSSYSA-N 1 2 229.305 0.040 20 0 BCADLO C[C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651517812 411077036 /nfs/dbraw/zinc/07/70/36/411077036.db2.gz AZLWNARIOYGROM-UWVGGRQHSA-N 1 2 225.292 0.579 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NCC2CC2)on1 ZINC000044991592 411143106 /nfs/dbraw/zinc/14/31/06/411143106.db2.gz NOYOHMSBFFMAMI-UHFFFAOYSA-N 1 2 223.276 0.599 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cocn1 ZINC000651937803 411151980 /nfs/dbraw/zinc/15/19/80/411151980.db2.gz ZYPNRRUFUQMGLB-VHSXEESVSA-N 1 2 212.249 0.256 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cocn1 ZINC000651937803 411151984 /nfs/dbraw/zinc/15/19/84/411151984.db2.gz ZYPNRRUFUQMGLB-VHSXEESVSA-N 1 2 212.249 0.256 20 0 BCADLO COCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596051055 411113926 /nfs/dbraw/zinc/11/39/26/411113926.db2.gz KGAVRBSNZXCUDF-UHFFFAOYSA-N 1 2 238.287 1.246 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)CC ZINC000048047855 411172487 /nfs/dbraw/zinc/17/24/87/411172487.db2.gz ALDNWGHCXASYEG-JTQLQIEISA-N 1 2 243.351 0.489 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)CC ZINC000048047855 411172490 /nfs/dbraw/zinc/17/24/90/411172490.db2.gz ALDNWGHCXASYEG-JTQLQIEISA-N 1 2 243.351 0.489 20 0 BCADLO C[N@H+](CCO)CC(=O)c1ccccc1F ZINC000048013325 411174017 /nfs/dbraw/zinc/17/40/17/411174017.db2.gz BHEBTWBLRBINBH-UHFFFAOYSA-N 1 2 211.236 0.933 20 0 BCADLO C[N@@H+](CCO)CC(=O)c1ccccc1F ZINC000048013325 411174020 /nfs/dbraw/zinc/17/40/20/411174020.db2.gz BHEBTWBLRBINBH-UHFFFAOYSA-N 1 2 211.236 0.933 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1N ZINC000132356664 411176853 /nfs/dbraw/zinc/17/68/53/411176853.db2.gz BZTQQZBHTBPUHI-VIFPVBQESA-N 1 2 245.286 0.679 20 0 BCADLO CCCNC(=O)CNc1nc[nH+]c(C)c1OC ZINC000656105686 411180042 /nfs/dbraw/zinc/18/00/42/411180042.db2.gz NHQRSIREWXZZOU-UHFFFAOYSA-N 1 2 238.291 0.732 20 0 BCADLO CCn1cc[nH+]c1CN1CCn2nncc2C1 ZINC000653793948 411180319 /nfs/dbraw/zinc/18/03/19/411180319.db2.gz XNFMTNNMVYLIIQ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCN1C(=O)CNC1=O ZINC000656126170 411183146 /nfs/dbraw/zinc/18/31/46/411183146.db2.gz LMEHVAKPFCEVDJ-UHFFFAOYSA-N 1 2 249.274 0.057 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](C)CC(N)=O ZINC000656127908 411183281 /nfs/dbraw/zinc/18/32/81/411183281.db2.gz BDBQBUQAENANPD-ZCFIWIBFSA-N 1 2 224.264 0.469 20 0 BCADLO COc1c(C)[nH+]cnc1NCc1ncn(C)n1 ZINC000656151597 411186978 /nfs/dbraw/zinc/18/69/78/411186978.db2.gz MFQWZLQFZDDMNB-UHFFFAOYSA-N 1 2 234.263 0.534 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC=CCC1 ZINC000656153786 411188140 /nfs/dbraw/zinc/18/81/40/411188140.db2.gz NOCJCEMBAPPAFF-UHFFFAOYSA-N 1 2 230.275 0.712 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCC[C@](O)(CO)C1 ZINC000656199866 411205081 /nfs/dbraw/zinc/20/50/81/411205081.db2.gz AXCXXHNARFDRGS-GFCCVEGCSA-N 1 2 237.303 0.417 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCO1 ZINC000653875217 411206011 /nfs/dbraw/zinc/20/60/11/411206011.db2.gz RQCDGJXKBDNAKU-UWVGGRQHSA-N 1 2 239.323 0.647 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@H]1CNC(=O)C1 ZINC000656201579 411206257 /nfs/dbraw/zinc/20/62/57/411206257.db2.gz CJIVNDCOFPAEPC-MRVPVSSYSA-N 1 2 236.275 0.342 20 0 BCADLO Cc1noc(CN(C)CCn2cc[nH+]c2)n1 ZINC000653888737 411209775 /nfs/dbraw/zinc/20/97/75/411209775.db2.gz FNPCKPVWHBDUSK-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO Cc1noc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000653895985 411213528 /nfs/dbraw/zinc/21/35/28/411213528.db2.gz JRHZSNRGBTZAGX-ZETCQYMHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000653895985 411213530 /nfs/dbraw/zinc/21/35/30/411213530.db2.gz JRHZSNRGBTZAGX-ZETCQYMHSA-N 1 2 211.265 0.723 20 0 BCADLO CCn1ncnc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000653901923 411216203 /nfs/dbraw/zinc/21/62/03/411216203.db2.gz GQKJOHBXRFRFNW-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653901923 411216205 /nfs/dbraw/zinc/21/62/05/411216205.db2.gz GQKJOHBXRFRFNW-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cnns1)C1CC1 ZINC000653902639 411217184 /nfs/dbraw/zinc/21/71/84/411217184.db2.gz YETGTCYKKGEACP-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cnns1)C1CC1 ZINC000653902639 411217185 /nfs/dbraw/zinc/21/71/85/411217185.db2.gz YETGTCYKKGEACP-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)C[N@H+](Cc1ncccn1)C1CC1 ZINC000653902192 411217328 /nfs/dbraw/zinc/21/73/28/411217328.db2.gz MVYDRRGBNUBRSK-VIFPVBQESA-N 1 2 207.277 0.822 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1ncccn1)C1CC1 ZINC000653902192 411217330 /nfs/dbraw/zinc/21/73/30/411217330.db2.gz MVYDRRGBNUBRSK-VIFPVBQESA-N 1 2 207.277 0.822 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655682880 411223661 /nfs/dbraw/zinc/22/36/61/411223661.db2.gz MRBBGANZIUVLNE-SNVBAGLBSA-N 1 2 236.319 0.834 20 0 BCADLO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000655784906 411224880 /nfs/dbraw/zinc/22/48/80/411224880.db2.gz HLLPTMNGZQQABA-LDYMZIIASA-N 1 2 227.308 0.766 20 0 BCADLO Cn1c[nH+]c(CN2CCOC[C@@]23CCOC3)c1 ZINC000660475906 411230627 /nfs/dbraw/zinc/23/06/27/411230627.db2.gz CQQCFQGMPMIRIP-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CC1(O)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000660002142 411166990 /nfs/dbraw/zinc/16/69/90/411166990.db2.gz KEUBOHLOALNDGK-UHFFFAOYSA-N 1 2 210.281 0.194 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C[C@H]2CCSC2)CC1 ZINC000425982494 411167708 /nfs/dbraw/zinc/16/77/08/411167708.db2.gz XEGNJFCHQOERCL-VXGBXAGGSA-N 1 2 244.404 0.738 20 0 BCADLO Cc1nnc(N(C)Cc2ccc(N)[nH+]c2)nc1C ZINC000428184791 411266238 /nfs/dbraw/zinc/26/62/38/411266238.db2.gz PPCWUBVIVSIMNT-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(N)nc1 ZINC000050816389 411266450 /nfs/dbraw/zinc/26/64/50/411266450.db2.gz PSNPVIDSJSAFIA-UHFFFAOYSA-N 1 2 222.292 0.232 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(N)nc1 ZINC000050816389 411266453 /nfs/dbraw/zinc/26/64/53/411266453.db2.gz PSNPVIDSJSAFIA-UHFFFAOYSA-N 1 2 222.292 0.232 20 0 BCADLO Cn1c[nH+]c(CN2CCN3C(=O)CC[C@H]3C2)c1 ZINC000660153676 411267261 /nfs/dbraw/zinc/26/72/61/411267261.db2.gz DWUWAUGDBSCFSF-NSHDSACASA-N 1 2 234.303 0.227 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000599442151 411270250 /nfs/dbraw/zinc/27/02/50/411270250.db2.gz VWQLZEQHKCJQGO-SECBINFHSA-N 1 2 236.319 1.537 20 0 BCADLO Cn1nncc1-n1cc(C[NH+]2CCCCC2)nn1 ZINC000656462176 411270926 /nfs/dbraw/zinc/27/09/26/411270926.db2.gz CHHCJTQSARXSRS-UHFFFAOYSA-N 1 2 247.306 0.382 20 0 BCADLO COCC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658158159 411271302 /nfs/dbraw/zinc/27/13/02/411271302.db2.gz GQFGXPPZFMOTTO-MRVPVSSYSA-N 1 2 228.296 0.466 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](COC)C(C)C)[nH]1 ZINC000658158138 411271448 /nfs/dbraw/zinc/27/14/48/411271448.db2.gz GDLFSWFWVDRKIY-VIFPVBQESA-N 1 2 242.323 0.712 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2CC2)nn1 ZINC000656464511 411271788 /nfs/dbraw/zinc/27/17/88/411271788.db2.gz OJXDCKVAPMUGOY-UHFFFAOYSA-N 1 2 210.281 0.112 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2CC2)nn1 ZINC000656464511 411271790 /nfs/dbraw/zinc/27/17/90/411271790.db2.gz OJXDCKVAPMUGOY-UHFFFAOYSA-N 1 2 210.281 0.112 20 0 BCADLO Cc1nc(NC[C@@H]2CCSC2)nc(N)[nH+]1 ZINC000379773339 411274483 /nfs/dbraw/zinc/27/44/83/411274483.db2.gz BKUARJCPIYNQSJ-ZETCQYMHSA-N 1 2 225.321 0.349 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCSC2)[nH+]1 ZINC000379773339 411274487 /nfs/dbraw/zinc/27/44/87/411274487.db2.gz BKUARJCPIYNQSJ-ZETCQYMHSA-N 1 2 225.321 0.349 20 0 BCADLO Cc1nc(N[C@H](C)c2ccn(C)n2)nc(N)[nH+]1 ZINC000631302330 411277853 /nfs/dbraw/zinc/27/78/53/411277853.db2.gz ZQZNALDZDMKXJA-ZCFIWIBFSA-N 1 2 233.279 0.091 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)c2ccn(C)n2)[nH+]1 ZINC000631302330 411277855 /nfs/dbraw/zinc/27/78/55/411277855.db2.gz ZQZNALDZDMKXJA-ZCFIWIBFSA-N 1 2 233.279 0.091 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncnn1C ZINC000653462642 411278992 /nfs/dbraw/zinc/27/89/92/411278992.db2.gz FRMKLFAVLIHBAA-UHFFFAOYSA-N 1 2 206.253 0.185 20 0 BCADLO Cc1nc(N2CCO[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631212210 411283354 /nfs/dbraw/zinc/28/33/54/411283354.db2.gz DAIPNVSLNYDZTO-SECBINFHSA-N 1 2 235.291 0.377 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000631212210 411283356 /nfs/dbraw/zinc/28/33/56/411283356.db2.gz DAIPNVSLNYDZTO-SECBINFHSA-N 1 2 235.291 0.377 20 0 BCADLO Cc1nc(N2CCC[C@@H]2[C@H](C)O)nc(N)[nH+]1 ZINC000631362076 411283436 /nfs/dbraw/zinc/28/34/36/411283436.db2.gz UBQXNHZMLCUDCG-POYBYMJQSA-N 1 2 223.280 0.112 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2[C@H](C)O)[nH+]1 ZINC000631362076 411283438 /nfs/dbraw/zinc/28/34/38/411283438.db2.gz UBQXNHZMLCUDCG-POYBYMJQSA-N 1 2 223.280 0.112 20 0 BCADLO Cc1nc(N2C[C@H](C)OC3(CCC3)C2)nc(N)[nH+]1 ZINC000631330685 411284851 /nfs/dbraw/zinc/28/48/51/411284851.db2.gz SDPPZSLCNSZPEP-QMMMGPOBSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)OC3(CCC3)C2)[nH+]1 ZINC000631330685 411284853 /nfs/dbraw/zinc/28/48/53/411284853.db2.gz SDPPZSLCNSZPEP-QMMMGPOBSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N2C[C@H](CO)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631312270 411285727 /nfs/dbraw/zinc/28/57/27/411285727.db2.gz BZTFCJMKVAELFS-IONNQARKSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](CO)C[C@H](C)C2)[nH+]1 ZINC000631312270 411285730 /nfs/dbraw/zinc/28/57/30/411285730.db2.gz BZTFCJMKVAELFS-IONNQARKSA-N 1 2 237.307 0.217 20 0 BCADLO Cn1ncnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000653466819 411286442 /nfs/dbraw/zinc/28/64/42/411286442.db2.gz WQTRDCMHPCVJRT-LLVKDONJSA-N 1 2 245.286 0.868 20 0 BCADLO Cc1cc(NC(=O)Cn2cncn2)cc[nH+]1 ZINC000656502719 411289067 /nfs/dbraw/zinc/28/90/67/411289067.db2.gz XPCOMZRXGWRLDG-UHFFFAOYSA-N 1 2 217.232 0.042 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)N1CCCCC1 ZINC000565220340 411293933 /nfs/dbraw/zinc/29/39/33/411293933.db2.gz CVURGVLGLVHWSN-UHFFFAOYSA-N 1 2 248.330 1.518 20 0 BCADLO C[C@@H](NC(=O)NC1CC1)c1[nH+]ccn1C ZINC000660206738 411298050 /nfs/dbraw/zinc/29/80/50/411298050.db2.gz OOPNJYZAONSVCR-SSDOTTSWSA-N 1 2 208.265 0.943 20 0 BCADLO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCOCC1 ZINC000659812950 411299968 /nfs/dbraw/zinc/29/99/68/411299968.db2.gz CVFAJMBRYRLHHH-IJLUTSLNSA-N 1 2 238.331 0.766 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661770345 411309277 /nfs/dbraw/zinc/30/92/77/411309277.db2.gz BSDLIJFYWSPFIK-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661770345 411309281 /nfs/dbraw/zinc/30/92/81/411309281.db2.gz BSDLIJFYWSPFIK-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(OC)no1 ZINC000659836914 411316271 /nfs/dbraw/zinc/31/62/71/411316271.db2.gz CIKMNTFKKPLHGW-UHFFFAOYSA-N 1 2 241.291 0.593 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)no1 ZINC000659836914 411316275 /nfs/dbraw/zinc/31/62/75/411316275.db2.gz CIKMNTFKKPLHGW-UHFFFAOYSA-N 1 2 241.291 0.593 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCO[C@H](CO)C2)n1 ZINC000402884005 411320037 /nfs/dbraw/zinc/32/00/37/411320037.db2.gz AQXNPWLZCZLMKB-LBPRGKRZSA-N 1 2 237.303 0.021 20 0 BCADLO Cc1cncc(CC[N@H+]2CCO[C@H](CO)C2)n1 ZINC000402884005 411320039 /nfs/dbraw/zinc/32/00/39/411320039.db2.gz AQXNPWLZCZLMKB-LBPRGKRZSA-N 1 2 237.303 0.021 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cscn1 ZINC000656682499 411321169 /nfs/dbraw/zinc/32/11/69/411321169.db2.gz SQQDMEIXYIDTFY-RNFRBKRXSA-N 1 2 211.290 0.682 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1=O ZINC000656676592 411321723 /nfs/dbraw/zinc/32/17/23/411321723.db2.gz OVLLIDNXUDSJNW-HTQZYQBOSA-N 1 2 240.332 0.810 20 0 BCADLO CCC[C@]1(CO)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660562402 411322113 /nfs/dbraw/zinc/32/21/13/411322113.db2.gz KKWXINDYMFOYFF-LBPRGKRZSA-N 1 2 238.335 0.832 20 0 BCADLO CCC[C@]1(CO)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660562402 411322115 /nfs/dbraw/zinc/32/21/15/411322115.db2.gz KKWXINDYMFOYFF-LBPRGKRZSA-N 1 2 238.335 0.832 20 0 BCADLO CC1(F)C[NH+](C[C@]2(O)CCCOC2)C1 ZINC000656699056 411324635 /nfs/dbraw/zinc/32/46/35/411324635.db2.gz IAAKOLMNABYIRL-SNVBAGLBSA-N 1 2 203.257 0.572 20 0 BCADLO CCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656443257 411251021 /nfs/dbraw/zinc/25/10/21/411251021.db2.gz ZAXFGSVFUQKYOJ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)nc(C)n1 ZINC000660132882 411251554 /nfs/dbraw/zinc/25/15/54/411251554.db2.gz FORLLOUNIJBMAG-NSHDSACASA-N 1 2 234.303 0.414 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)nc(C)n1 ZINC000660132882 411251557 /nfs/dbraw/zinc/25/15/57/411251557.db2.gz FORLLOUNIJBMAG-NSHDSACASA-N 1 2 234.303 0.414 20 0 BCADLO CSCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886275 411255709 /nfs/dbraw/zinc/25/57/09/411255709.db2.gz PQRNBVKYCKRIBS-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CC(C)NC(=O)NCCN(C)Cc1[nH]cc[nH+]1 ZINC000660141504 411255876 /nfs/dbraw/zinc/25/58/76/411255876.db2.gz GNGAJZWCZGQIEH-UHFFFAOYSA-N 1 2 239.323 0.549 20 0 BCADLO C[C@H](CN(C)Cc1[nH]cc[nH+]1)S(C)(=O)=O ZINC000660142381 411258015 /nfs/dbraw/zinc/25/80/15/411258015.db2.gz WCGFHRBGDYACPU-MRVPVSSYSA-N 1 2 231.321 0.275 20 0 BCADLO Oc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000656440421 411258930 /nfs/dbraw/zinc/25/89/30/411258930.db2.gz HBUYYRMLVNENMG-GFCCVEGCSA-N 1 2 246.270 0.634 20 0 BCADLO CC(C)CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656442101 411260598 /nfs/dbraw/zinc/26/05/98/411260598.db2.gz AKRROFCXESBLRH-LLVKDONJSA-N 1 2 224.308 0.985 20 0 BCADLO CCN1OC[C@@H]([N@H+](CC)C[C@H]2CCCO2)C1=O ZINC000659864347 411353435 /nfs/dbraw/zinc/35/34/35/411353435.db2.gz ZLOLHJDTWLVKOA-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@@H]([N@@H+](CC)C[C@H]2CCCO2)C1=O ZINC000659864347 411353436 /nfs/dbraw/zinc/35/34/36/411353436.db2.gz ZLOLHJDTWLVKOA-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@H]([N@H+](CC)C[C@@H]2CCCO2)C1=O ZINC000659864350 411353903 /nfs/dbraw/zinc/35/39/03/411353903.db2.gz ZLOLHJDTWLVKOA-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@H]([N@@H+](CC)C[C@@H]2CCCO2)C1=O ZINC000659864350 411353906 /nfs/dbraw/zinc/35/39/06/411353906.db2.gz ZLOLHJDTWLVKOA-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](C[C@@H]1COCCO1)C2 ZINC000662118943 411363112 /nfs/dbraw/zinc/36/31/12/411363112.db2.gz IKIYPMODJHMUNZ-SNVBAGLBSA-N 1 2 235.287 0.250 20 0 BCADLO c1cnc2c(n1)CC[N@H+](C[C@@H]1COCCO1)C2 ZINC000662118943 411363115 /nfs/dbraw/zinc/36/31/15/411363115.db2.gz IKIYPMODJHMUNZ-SNVBAGLBSA-N 1 2 235.287 0.250 20 0 BCADLO CN1CCC[C@@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660581801 411334678 /nfs/dbraw/zinc/33/46/78/411334678.db2.gz JSIXMOVTNZOTAC-LLVKDONJSA-N 1 2 234.303 0.320 20 0 BCADLO CCC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582954 411337255 /nfs/dbraw/zinc/33/72/55/411337255.db2.gz CBCWMQHRUKVSMB-NSHDSACASA-N 1 2 209.293 0.860 20 0 BCADLO c1nnsc1CN1CCn2c[nH+]cc2C1 ZINC000660584522 411338977 /nfs/dbraw/zinc/33/89/77/411338977.db2.gz SUUCFEHSGMSVAG-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccon1 ZINC000661971292 411339958 /nfs/dbraw/zinc/33/99/58/411339958.db2.gz BVMVSTRACRXYCA-RKDXNWHRSA-N 1 2 221.260 0.955 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccon1 ZINC000661971292 411339962 /nfs/dbraw/zinc/33/99/62/411339962.db2.gz BVMVSTRACRXYCA-RKDXNWHRSA-N 1 2 221.260 0.955 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283130744 168000905 /nfs/dbraw/zinc/00/09/05/168000905.db2.gz NLZZUJQHWUUUPM-OHINUGQQSA-N 1 2 235.287 0.699 20 0 BCADLO CC[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917625 411381754 /nfs/dbraw/zinc/38/17/54/411381754.db2.gz HPILCHWGEZDLKK-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917625 411381756 /nfs/dbraw/zinc/38/17/56/411381756.db2.gz HPILCHWGEZDLKK-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000656816387 411374586 /nfs/dbraw/zinc/37/45/86/411374586.db2.gz PPZFTNNBAZVWGH-UHFFFAOYSA-N 1 2 247.298 0.756 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000656816387 411374591 /nfs/dbraw/zinc/37/45/91/411374591.db2.gz PPZFTNNBAZVWGH-UHFFFAOYSA-N 1 2 247.298 0.756 20 0 BCADLO CCO[C@@H]1CCC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000659943419 411388520 /nfs/dbraw/zinc/38/85/20/411388520.db2.gz UJRZNBBKRLPCEJ-MNOVXSKESA-N 1 2 242.319 0.650 20 0 BCADLO CCO[C@@H]1CCC[N@H+]([C@H]2CON(CC)C2=O)C1 ZINC000659943419 411388522 /nfs/dbraw/zinc/38/85/22/411388522.db2.gz UJRZNBBKRLPCEJ-MNOVXSKESA-N 1 2 242.319 0.650 20 0 BCADLO CCC(=O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000270998022 168206108 /nfs/dbraw/zinc/20/61/08/168206108.db2.gz XUWYIXSCJRWAAT-UHFFFAOYSA-N 1 2 245.282 0.972 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000660298721 411391129 /nfs/dbraw/zinc/39/11/29/411391129.db2.gz WHGRHPQGMBSSHT-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000309987085 168221658 /nfs/dbraw/zinc/22/16/58/168221658.db2.gz YTPLVWNECKTTER-LLVKDONJSA-N 1 2 219.288 0.965 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000134160447 168237849 /nfs/dbraw/zinc/23/78/49/168237849.db2.gz YXMMEKUZODQRRT-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000134160447 168237851 /nfs/dbraw/zinc/23/78/51/168237851.db2.gz YXMMEKUZODQRRT-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152047077 168263007 /nfs/dbraw/zinc/26/30/07/168263007.db2.gz PAPXAWMGBCTXMN-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152047077 168263009 /nfs/dbraw/zinc/26/30/09/168263009.db2.gz PAPXAWMGBCTXMN-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](F)C1 ZINC000653012173 411394060 /nfs/dbraw/zinc/39/40/60/411394060.db2.gz BOTXOEIZIRYQPJ-VIFPVBQESA-N 1 2 211.240 0.844 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)CCO ZINC000580013314 411395382 /nfs/dbraw/zinc/39/53/82/411395382.db2.gz KREUVUSAJLJIKI-QMMMGPOBSA-N 1 2 209.293 1.524 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CO ZINC000654930489 411464664 /nfs/dbraw/zinc/46/46/64/411464664.db2.gz KKOFMCSQJNXGIB-VIFPVBQESA-N 1 2 239.319 0.723 20 0 BCADLO Cc1nc(N(C)[C@H](C)CS(C)(=O)=O)cc[nH+]1 ZINC000078250845 411399663 /nfs/dbraw/zinc/39/96/63/411399663.db2.gz YTXVWEVLQHFZIN-MRVPVSSYSA-N 1 2 243.332 0.654 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CO ZINC000654930489 411464666 /nfs/dbraw/zinc/46/46/66/411464666.db2.gz KKOFMCSQJNXGIB-VIFPVBQESA-N 1 2 239.319 0.723 20 0 BCADLO CC(=O)c1cc(C[N@H+](CCO)CCCO)on1 ZINC000653554967 411419799 /nfs/dbraw/zinc/41/97/99/411419799.db2.gz CJNNNJXDCKDTAI-UHFFFAOYSA-N 1 2 242.275 0.054 20 0 BCADLO CC(=O)c1cc(C[N@@H+](CCO)CCCO)on1 ZINC000653554967 411419802 /nfs/dbraw/zinc/41/98/02/411419802.db2.gz CJNNNJXDCKDTAI-UHFFFAOYSA-N 1 2 242.275 0.054 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)NCc1[nH+]ccn1C ZINC000352754322 169880874 /nfs/dbraw/zinc/88/08/74/169880874.db2.gz UECZRYVESZPOFK-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000653588299 411428662 /nfs/dbraw/zinc/42/86/62/411428662.db2.gz NWUVWMBCALCMFA-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CNC(=O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000653588299 411428663 /nfs/dbraw/zinc/42/86/63/411428663.db2.gz NWUVWMBCALCMFA-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)on1 ZINC000653595457 411431168 /nfs/dbraw/zinc/43/11/68/411431168.db2.gz JEZOSTSDHFWACT-HQJQHLMTSA-N 1 2 224.260 0.690 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)on1 ZINC000653595457 411431171 /nfs/dbraw/zinc/43/11/71/411431171.db2.gz JEZOSTSDHFWACT-HQJQHLMTSA-N 1 2 224.260 0.690 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654915291 411463284 /nfs/dbraw/zinc/46/32/84/411463284.db2.gz DIHANIVTXGHALO-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654915291 411463285 /nfs/dbraw/zinc/46/32/85/411463285.db2.gz DIHANIVTXGHALO-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654911149 411463331 /nfs/dbraw/zinc/46/33/31/411463331.db2.gz MUDVAUQPAUZNQJ-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654911149 411463333 /nfs/dbraw/zinc/46/33/33/411463333.db2.gz MUDVAUQPAUZNQJ-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCOC1 ZINC000654757008 411440078 /nfs/dbraw/zinc/44/00/78/411440078.db2.gz RIDVQYDIXZUONV-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCOC1 ZINC000654757008 411440080 /nfs/dbraw/zinc/44/00/80/411440080.db2.gz RIDVQYDIXZUONV-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2cocn2)C1 ZINC000654758557 411440089 /nfs/dbraw/zinc/44/00/89/411440089.db2.gz FYUGUOHZJCETTG-UHFFFAOYSA-N 1 2 223.276 0.633 20 0 BCADLO Cc1nn(CCCn2cc[nH+]c2)c(=O)o1 ZINC000657279665 411440045 /nfs/dbraw/zinc/44/00/45/411440045.db2.gz XLVUAYPLKJPMAV-UHFFFAOYSA-N 1 2 208.221 0.432 20 0 BCADLO COCC[N@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000571654774 411440369 /nfs/dbraw/zinc/44/03/69/411440369.db2.gz WBZBWDUUKFKJLZ-QMMMGPOBSA-N 1 2 210.281 0.698 20 0 BCADLO COCC[N@@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000571654774 411440370 /nfs/dbraw/zinc/44/03/70/411440370.db2.gz WBZBWDUUKFKJLZ-QMMMGPOBSA-N 1 2 210.281 0.698 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@H](C)CO ZINC000653615684 411440782 /nfs/dbraw/zinc/44/07/82/411440782.db2.gz UGSLZOKEECHMNM-RKDXNWHRSA-N 1 2 241.339 0.535 20 0 BCADLO Cc1cc(NC(=O)C[C@H](C)NC(N)=O)cc[nH+]1 ZINC000654774916 411443700 /nfs/dbraw/zinc/44/37/00/411443700.db2.gz UQOVMPIONBKJOT-QMMMGPOBSA-N 1 2 236.275 0.197 20 0 BCADLO COC[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000660376370 411445902 /nfs/dbraw/zinc/44/59/02/411445902.db2.gz MWRHIXHOIUPWNG-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)O ZINC000654809477 411448015 /nfs/dbraw/zinc/44/80/15/411448015.db2.gz DLPRYFYHDNZFCR-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)O ZINC000654809477 411448017 /nfs/dbraw/zinc/44/80/17/411448017.db2.gz DLPRYFYHDNZFCR-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO CN(Cc1ccon1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000654823584 411452217 /nfs/dbraw/zinc/45/22/17/411452217.db2.gz OVQJIVCXYZNVKW-UHFFFAOYSA-N 1 2 237.303 0.975 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657292398 411453168 /nfs/dbraw/zinc/45/31/68/411453168.db2.gz NKNYQPPFPLYZRF-UHFFFAOYSA-N 1 2 222.292 0.007 20 0 BCADLO Cc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)ncn1 ZINC000654965748 411468642 /nfs/dbraw/zinc/46/86/42/411468642.db2.gz OVLWYIZMFJNBEX-UHFFFAOYSA-N 1 2 248.330 0.743 20 0 BCADLO Cc1c[nH]c(CNc2cnn(CCO)c2)[nH+]1 ZINC000657344723 411470401 /nfs/dbraw/zinc/47/04/01/411470401.db2.gz XNHRUSPTQRVCJS-UHFFFAOYSA-N 1 2 221.264 0.519 20 0 BCADLO CCN1CC[C@H]([N@H+](CC)CC(=O)N(C)C)C1=O ZINC000659838779 411470417 /nfs/dbraw/zinc/47/04/17/411470417.db2.gz PJXQZMDMSMLEIG-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CC[C@H]([N@@H+](CC)CC(=O)N(C)C)C1=O ZINC000659838779 411470420 /nfs/dbraw/zinc/47/04/20/411470420.db2.gz PJXQZMDMSMLEIG-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000655009075 411475370 /nfs/dbraw/zinc/47/53/70/411475370.db2.gz AGIMREQNDSNKDL-KOLCDFICSA-N 1 2 249.314 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000655009075 411475371 /nfs/dbraw/zinc/47/53/71/411475371.db2.gz AGIMREQNDSNKDL-KOLCDFICSA-N 1 2 249.314 0.572 20 0 BCADLO CC(C)[C@@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657367681 411480180 /nfs/dbraw/zinc/48/01/80/411480180.db2.gz SLCRHIWJRQSZBA-VIFPVBQESA-N 1 2 241.339 0.535 20 0 BCADLO CC[C@H](CCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657372487 411484991 /nfs/dbraw/zinc/48/49/91/411484991.db2.gz GAAIFYGCSZKDSJ-SECBINFHSA-N 1 2 241.339 0.679 20 0 BCADLO Cn1cnc(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000659879220 411488756 /nfs/dbraw/zinc/48/87/56/411488756.db2.gz SHJQMZIORCEFPM-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1cnc(C[N@@H+](CC(N)=O)C2CCCC2)c1 ZINC000659879220 411488760 /nfs/dbraw/zinc/48/87/60/411488760.db2.gz SHJQMZIORCEFPM-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCOC1 ZINC000655069926 411488871 /nfs/dbraw/zinc/48/88/71/411488871.db2.gz HQACWZRTMSJQAC-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCOC1 ZINC000655069926 411488873 /nfs/dbraw/zinc/48/88/73/411488873.db2.gz HQACWZRTMSJQAC-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCOC1 ZINC000655069927 411489270 /nfs/dbraw/zinc/48/92/70/411489270.db2.gz HQACWZRTMSJQAC-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCOC1 ZINC000655069927 411489272 /nfs/dbraw/zinc/48/92/72/411489272.db2.gz HQACWZRTMSJQAC-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CO[C@@H](C[N@@H+]1CCn2cnnc2C1)C1CCC1 ZINC000659897330 411491813 /nfs/dbraw/zinc/49/18/13/411491813.db2.gz ZEAGPQNUWWRDHK-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@H](C[N@H+]1CCn2cnnc2C1)C1CCC1 ZINC000659897330 411491816 /nfs/dbraw/zinc/49/18/16/411491816.db2.gz ZEAGPQNUWWRDHK-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000659900472 411492293 /nfs/dbraw/zinc/49/22/93/411492293.db2.gz RCRHIAGUPIHRSG-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000659900472 411492295 /nfs/dbraw/zinc/49/22/95/411492295.db2.gz RCRHIAGUPIHRSG-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000660420701 411494476 /nfs/dbraw/zinc/49/44/76/411494476.db2.gz UDGRIHCKUSKRSC-GFCCVEGCSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000660420701 411494478 /nfs/dbraw/zinc/49/44/78/411494478.db2.gz UDGRIHCKUSKRSC-GFCCVEGCSA-N 1 2 247.298 0.756 20 0 BCADLO Cc1c[nH]c(CN[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000657402833 411496176 /nfs/dbraw/zinc/49/61/76/411496176.db2.gz JUAKSKLUULIYBI-QWRGUYRKSA-N 1 2 238.335 0.527 20 0 BCADLO Cc1c[nH]c(CN[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000657402833 411496178 /nfs/dbraw/zinc/49/61/78/411496178.db2.gz JUAKSKLUULIYBI-QWRGUYRKSA-N 1 2 238.335 0.527 20 0 BCADLO Cc1c[nH]c(CN[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000657402831 411496225 /nfs/dbraw/zinc/49/62/25/411496225.db2.gz JUAKSKLUULIYBI-GHMZBOCLSA-N 1 2 238.335 0.527 20 0 BCADLO Cc1c[nH]c(CN[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000657402831 411496229 /nfs/dbraw/zinc/49/62/29/411496229.db2.gz JUAKSKLUULIYBI-GHMZBOCLSA-N 1 2 238.335 0.527 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655119990 411498604 /nfs/dbraw/zinc/49/86/04/411498604.db2.gz FJAKQCZEWCCLBN-ONGXEEELSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655119990 411498606 /nfs/dbraw/zinc/49/86/06/411498606.db2.gz FJAKQCZEWCCLBN-ONGXEEELSA-N 1 2 239.319 0.818 20 0 BCADLO Cn1cnc(C[N@H+](C)CCN2CCCC2=O)c1 ZINC000659928375 411502340 /nfs/dbraw/zinc/50/23/40/411502340.db2.gz XLNLAKORBKFPJV-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1cnc(C[N@@H+](C)CCN2CCCC2=O)c1 ZINC000659928375 411502342 /nfs/dbraw/zinc/50/23/42/411502342.db2.gz XLNLAKORBKFPJV-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000659936731 411502978 /nfs/dbraw/zinc/50/29/78/411502978.db2.gz SQWBGCHNBZUEQN-UHFFFAOYSA-N 1 2 224.308 0.848 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000659936731 411502981 /nfs/dbraw/zinc/50/29/81/411502981.db2.gz SQWBGCHNBZUEQN-UHFFFAOYSA-N 1 2 224.308 0.848 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]1O ZINC000655141405 411503939 /nfs/dbraw/zinc/50/39/39/411503939.db2.gz TVZDODCRKNCTQZ-FBIMIBRVSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]1O ZINC000655141405 411503940 /nfs/dbraw/zinc/50/39/40/411503940.db2.gz TVZDODCRKNCTQZ-FBIMIBRVSA-N 1 2 237.303 0.618 20 0 BCADLO CN1CC[N@H+](CCOCc2ccccc2)CC1=O ZINC000659947965 411508061 /nfs/dbraw/zinc/50/80/61/411508061.db2.gz SCZOBRLRFXSKAH-UHFFFAOYSA-N 1 2 248.326 0.977 20 0 BCADLO CN1CC[N@@H+](CCOCc2ccccc2)CC1=O ZINC000659947965 411508064 /nfs/dbraw/zinc/50/80/64/411508064.db2.gz SCZOBRLRFXSKAH-UHFFFAOYSA-N 1 2 248.326 0.977 20 0 BCADLO COC[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659947856 411508258 /nfs/dbraw/zinc/50/82/58/411508258.db2.gz NSOUELXMRYEWEH-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO COC[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659947856 411508261 /nfs/dbraw/zinc/50/82/61/411508261.db2.gz NSOUELXMRYEWEH-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO Cc1[nH+]cc(CNc2n[nH]c(N(C)C)n2)n1C ZINC000657464133 411518391 /nfs/dbraw/zinc/51/83/91/411518391.db2.gz VQGPRTPMRBYKQV-UHFFFAOYSA-N 1 2 235.295 0.525 20 0 BCADLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814112 411524080 /nfs/dbraw/zinc/52/40/80/411524080.db2.gz KCHJRZIJANREQM-IUCAKERBSA-N 1 2 239.323 0.695 20 0 BCADLO CCc1nnc(CNCc2c[nH+]c3n2CCC3)[nH]1 ZINC000657476664 411525143 /nfs/dbraw/zinc/52/51/43/411525143.db2.gz RYFANMQZZHFFPZ-UHFFFAOYSA-N 1 2 246.318 0.800 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)F ZINC000356653192 170001435 /nfs/dbraw/zinc/00/14/35/170001435.db2.gz OHMXPYRBZUNTHN-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)F ZINC000356653192 170001436 /nfs/dbraw/zinc/00/14/36/170001436.db2.gz OHMXPYRBZUNTHN-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2nncs2)C1 ZINC000369944444 170006624 /nfs/dbraw/zinc/00/66/24/170006624.db2.gz WPDZSYKFGXDQLN-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2nncs2)C1 ZINC000369944444 170006625 /nfs/dbraw/zinc/00/66/25/170006625.db2.gz WPDZSYKFGXDQLN-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000309049904 170034714 /nfs/dbraw/zinc/03/47/14/170034714.db2.gz QKRSPYFJUXUEAU-SRVKXCTJSA-N 1 2 212.337 0.953 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H](C)C1 ZINC000358220678 170036061 /nfs/dbraw/zinc/03/60/61/170036061.db2.gz KOONHHOHDRFZAN-RYUDHWBXSA-N 1 2 241.379 0.785 20 0 BCADLO CC(C)n1ccnc1C[NH2+][C@H]1CCNC1=O ZINC000657522116 411540498 /nfs/dbraw/zinc/54/04/98/411540498.db2.gz FXMPVZZVZORIPF-VIFPVBQESA-N 1 2 222.292 0.442 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660122754 411540548 /nfs/dbraw/zinc/54/05/48/411540548.db2.gz CFLYNHFXYFSNHO-KOLCDFICSA-N 1 2 224.308 0.583 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660122754 411540550 /nfs/dbraw/zinc/54/05/50/411540550.db2.gz CFLYNHFXYFSNHO-KOLCDFICSA-N 1 2 224.308 0.583 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660122760 411540595 /nfs/dbraw/zinc/54/05/95/411540595.db2.gz CFLYNHFXYFSNHO-ONGXEEELSA-N 1 2 224.308 0.583 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660122760 411540597 /nfs/dbraw/zinc/54/05/97/411540597.db2.gz CFLYNHFXYFSNHO-ONGXEEELSA-N 1 2 224.308 0.583 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1nccn1C ZINC000271026410 170050113 /nfs/dbraw/zinc/05/01/13/170050113.db2.gz PFNOVIXVJFHAQP-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000271026410 170050115 /nfs/dbraw/zinc/05/01/15/170050115.db2.gz PFNOVIXVJFHAQP-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO Cc1c(Cl)c(C[NH2+][C@H]2CCNC2=O)nn1C ZINC000657524606 411542129 /nfs/dbraw/zinc/54/21/29/411542129.db2.gz USDHNYXIIPMYHJ-ZETCQYMHSA-N 1 2 242.710 0.360 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H](C)c1cnccn1 ZINC000184411303 170056983 /nfs/dbraw/zinc/05/69/83/170056983.db2.gz QPWPBFIWIJCFSN-SNVBAGLBSA-N 1 2 236.319 0.996 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H](C)c1cnccn1 ZINC000184411303 170056985 /nfs/dbraw/zinc/05/69/85/170056985.db2.gz QPWPBFIWIJCFSN-SNVBAGLBSA-N 1 2 236.319 0.996 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000057599752 170057939 /nfs/dbraw/zinc/05/79/39/170057939.db2.gz CVVRZGWUIIVNHJ-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000057599752 170057940 /nfs/dbraw/zinc/05/79/40/170057940.db2.gz CVVRZGWUIIVNHJ-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361405407 170058441 /nfs/dbraw/zinc/05/84/41/170058441.db2.gz XDWYGAVADCNYKV-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361405407 170058443 /nfs/dbraw/zinc/05/84/43/170058443.db2.gz XDWYGAVADCNYKV-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373402281 170060095 /nfs/dbraw/zinc/06/00/95/170060095.db2.gz IDYWXGBZCVUUMA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373402281 170060096 /nfs/dbraw/zinc/06/00/96/170060096.db2.gz IDYWXGBZCVUUMA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360555840 170061104 /nfs/dbraw/zinc/06/11/04/170061104.db2.gz CUTYQTKJQOURQA-UWVGGRQHSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360555840 170061105 /nfs/dbraw/zinc/06/11/05/170061105.db2.gz CUTYQTKJQOURQA-UWVGGRQHSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)CNC(=O)Nc1cc[nH+]cc1C ZINC000120276004 170063236 /nfs/dbraw/zinc/06/32/36/170063236.db2.gz ABCMKNPOOKCTAU-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO CCNC(=O)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000352750686 170064417 /nfs/dbraw/zinc/06/44/17/170064417.db2.gz RDBLFRTWYVJREJ-UHFFFAOYSA-N 1 2 244.241 0.896 20 0 BCADLO CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000337782589 170072034 /nfs/dbraw/zinc/07/20/34/170072034.db2.gz USIHAHCQGXLPTK-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000336259427 170078420 /nfs/dbraw/zinc/07/84/20/170078420.db2.gz ADGVXHIZSMMZPS-YUMQZZPRSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000336259427 170078422 /nfs/dbraw/zinc/07/84/22/170078422.db2.gz ADGVXHIZSMMZPS-YUMQZZPRSA-N 1 2 231.271 0.264 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H](C)C(=O)NC(C)C)n1 ZINC000657496452 411535651 /nfs/dbraw/zinc/53/56/51/411535651.db2.gz PHWUQZDODHLFGD-VIFPVBQESA-N 1 2 224.308 0.721 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000044296578 170088038 /nfs/dbraw/zinc/08/80/38/170088038.db2.gz FBEBYSKDTNZAOJ-MRVPVSSYSA-N 1 2 211.265 0.597 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936211 170089038 /nfs/dbraw/zinc/08/90/38/170089038.db2.gz WYVAODZKYMWJFZ-SSDOTTSWSA-N 1 2 208.265 0.722 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nc(C)no1)C(C)C ZINC000293294483 170092040 /nfs/dbraw/zinc/09/20/40/170092040.db2.gz PBOXPTQVRLJJMG-JTQLQIEISA-N 1 2 240.307 0.628 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1cnn(C)n1)C(C)C ZINC000293382781 170092184 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RBICNKSSOSTHEV-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnns1 ZINC000336705210 170205192 /nfs/dbraw/zinc/20/51/92/170205192.db2.gz RBICNKSSOSTHEV-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@@H]1CCOC1=O ZINC000050067168 170205216 /nfs/dbraw/zinc/20/52/16/170205216.db2.gz UDOKDZRQRTXAGN-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@@H]1CCOC1=O ZINC000050067168 170205217 /nfs/dbraw/zinc/20/52/17/170205217.db2.gz UDOKDZRQRTXAGN-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337413809 170205796 /nfs/dbraw/zinc/20/57/96/170205796.db2.gz QGQFKDFVHCZVIC-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337413809 170205798 /nfs/dbraw/zinc/20/57/98/170205798.db2.gz QGQFKDFVHCZVIC-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000120538488 170205917 /nfs/dbraw/zinc/20/59/17/170205917.db2.gz UIWABTVHYFNZJH-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000120538488 170205919 /nfs/dbraw/zinc/20/59/19/170205919.db2.gz UIWABTVHYFNZJH-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352760812 170206964 /nfs/dbraw/zinc/20/69/64/170206964.db2.gz RBNOUOFHDLNIKZ-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352760812 170206965 /nfs/dbraw/zinc/20/69/65/170206965.db2.gz RBNOUOFHDLNIKZ-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000342171514 170216926 /nfs/dbraw/zinc/21/69/26/170216926.db2.gz QVGFTEHSVGFXBV-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000342171514 170216928 /nfs/dbraw/zinc/21/69/28/170216928.db2.gz QVGFTEHSVGFXBV-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@@H](O)CC ZINC000338920250 170217698 /nfs/dbraw/zinc/21/76/98/170217698.db2.gz KHRVQAWPOMHAOY-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@@H](O)CC ZINC000338920250 170217699 /nfs/dbraw/zinc/21/76/99/170217699.db2.gz KHRVQAWPOMHAOY-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000342118910 170218095 /nfs/dbraw/zinc/21/80/95/170218095.db2.gz CXSIHQRRDCCCIF-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000342118910 170218096 /nfs/dbraw/zinc/21/80/96/170218096.db2.gz CXSIHQRRDCCCIF-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000342127064 170219048 /nfs/dbraw/zinc/21/90/48/170219048.db2.gz LHYMKPFOBUEEGB-UHFFFAOYSA-N 1 2 237.246 0.642 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291257346 170220137 /nfs/dbraw/zinc/22/01/37/170220137.db2.gz MQDYAXFZEVXICC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291257346 170220138 /nfs/dbraw/zinc/22/01/38/170220138.db2.gz MQDYAXFZEVXICC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000134160228 170220584 /nfs/dbraw/zinc/22/05/84/170220584.db2.gz HBEVHPLHYITFOT-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000134160228 170220585 /nfs/dbraw/zinc/22/05/85/170220585.db2.gz HBEVHPLHYITFOT-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340993152 170220683 /nfs/dbraw/zinc/22/06/83/170220683.db2.gz HSIKEMUHMOIAQL-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340993152 170220685 /nfs/dbraw/zinc/22/06/85/170220685.db2.gz HSIKEMUHMOIAQL-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000248956131 170221787 /nfs/dbraw/zinc/22/17/87/170221787.db2.gz ANBKDLZRYWJUPZ-UWVGGRQHSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000248956131 170221788 /nfs/dbraw/zinc/22/17/88/170221788.db2.gz ANBKDLZRYWJUPZ-UWVGGRQHSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264880916 170224812 /nfs/dbraw/zinc/22/48/12/170224812.db2.gz SRZZMANKNWQPBJ-UHFFFAOYSA-N 1 2 211.221 0.011 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000330363543 170226203 /nfs/dbraw/zinc/22/62/03/170226203.db2.gz JJOPSWQQFBLQPG-KOLCDFICSA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000308620254 170227483 /nfs/dbraw/zinc/22/74/83/170227483.db2.gz SWGMVFFBUZETOB-SNVBAGLBSA-N 1 2 203.282 0.546 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H](COC)OC ZINC000660238409 411557410 /nfs/dbraw/zinc/55/74/10/411557410.db2.gz KUXPLANWLCNXPC-LLVKDONJSA-N 1 2 242.323 0.298 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@H](COC)OC ZINC000660238409 411557412 /nfs/dbraw/zinc/55/74/12/411557412.db2.gz KUXPLANWLCNXPC-LLVKDONJSA-N 1 2 242.323 0.298 20 0 BCADLO Cn1cnc(C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000660237436 411557570 /nfs/dbraw/zinc/55/75/70/411557570.db2.gz CUBNUQYYERZWMJ-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO Cn1cnc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000660237436 411557571 /nfs/dbraw/zinc/55/75/71/411557571.db2.gz CUBNUQYYERZWMJ-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1cnccn1 ZINC000271286100 170247460 /nfs/dbraw/zinc/24/74/60/170247460.db2.gz BDUCAOJSBSGSSB-SNVBAGLBSA-N 1 2 237.303 0.903 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1cnccn1 ZINC000271286100 170247461 /nfs/dbraw/zinc/24/74/61/170247461.db2.gz BDUCAOJSBSGSSB-SNVBAGLBSA-N 1 2 237.303 0.903 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C/C=C/CO)n1 ZINC000657593662 411559496 /nfs/dbraw/zinc/55/94/96/411559496.db2.gz JNEAFRZFVUNDIK-SNAWJCMRSA-N 1 2 225.296 0.066 20 0 BCADLO CCOC(=O)[C@@H]1CCCCC[N@@H+]1CC(N)=O ZINC000370567449 170257401 /nfs/dbraw/zinc/25/74/01/170257401.db2.gz CDQRIWCAUBBMES-VIFPVBQESA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)[C@@H]1CCCCC[N@H+]1CC(N)=O ZINC000370567449 170257402 /nfs/dbraw/zinc/25/74/02/170257402.db2.gz CDQRIWCAUBBMES-VIFPVBQESA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267817169 170264875 /nfs/dbraw/zinc/26/48/75/170264875.db2.gz GEEDDEDIPFHFBY-SSDOTTSWSA-N 1 2 239.275 0.647 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(NC(N)=O)CC1 ZINC000081539636 170266574 /nfs/dbraw/zinc/26/65/74/170266574.db2.gz ATWVEVLESUEEDV-QMMMGPOBSA-N 1 2 243.307 0.071 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330509004 170266700 /nfs/dbraw/zinc/26/67/00/170266700.db2.gz CIMWWXWOYQGCQX-JGVFFNPUSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330509004 170266701 /nfs/dbraw/zinc/26/67/01/170266701.db2.gz CIMWWXWOYQGCQX-JGVFFNPUSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587113 170271689 /nfs/dbraw/zinc/27/16/89/170271689.db2.gz KZEQWNXTVVCSGZ-GXSJLCMTSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587113 170271690 /nfs/dbraw/zinc/27/16/90/170271690.db2.gz KZEQWNXTVVCSGZ-GXSJLCMTSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]Cc2nc(COC)n[nH]2)CO1 ZINC000657608952 411562632 /nfs/dbraw/zinc/56/26/32/411562632.db2.gz GLDVWVDBFCASRQ-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]Cc2nnc(COC)[nH]2)CO1 ZINC000657608952 411562634 /nfs/dbraw/zinc/56/26/34/411562634.db2.gz GLDVWVDBFCASRQ-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC000657610325 411562816 /nfs/dbraw/zinc/56/28/16/411562816.db2.gz ZGRBRONQTBDMGD-XHNCKOQMSA-N 1 2 240.307 0.607 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)[nH]1 ZINC000657610325 411562817 /nfs/dbraw/zinc/56/28/17/411562817.db2.gz ZGRBRONQTBDMGD-XHNCKOQMSA-N 1 2 240.307 0.607 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000050064435 170281487 /nfs/dbraw/zinc/28/14/87/170281487.db2.gz SSLQJJVRXPVKPX-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000050064435 170281488 /nfs/dbraw/zinc/28/14/88/170281488.db2.gz SSLQJJVRXPVKPX-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CCN1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660275706 411564188 /nfs/dbraw/zinc/56/41/88/411564188.db2.gz WQPZHTDIHCSYPS-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660275706 411564189 /nfs/dbraw/zinc/56/41/89/411564189.db2.gz WQPZHTDIHCSYPS-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H](O)C[C@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660287602 411565745 /nfs/dbraw/zinc/56/57/45/411565745.db2.gz DEKRSYMWZRUEJP-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO CCOC(=O)c1coc(C[N@H+](C)CC(N)=O)c1 ZINC000353377278 170305056 /nfs/dbraw/zinc/30/50/56/170305056.db2.gz FAUVPMJNSHAMRL-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO CCOC(=O)c1coc(C[N@@H+](C)CC(N)=O)c1 ZINC000353377278 170305057 /nfs/dbraw/zinc/30/50/57/170305057.db2.gz FAUVPMJNSHAMRL-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO CCOC(C[N@@H+]1CCNC(=O)[C@H]1CC)OCC ZINC000104357651 170314285 /nfs/dbraw/zinc/31/42/85/170314285.db2.gz WPSRMTJQJGYTFX-SNVBAGLBSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(C[N@H+]1CCNC(=O)[C@H]1CC)OCC ZINC000104357651 170314286 /nfs/dbraw/zinc/31/42/86/170314286.db2.gz WPSRMTJQJGYTFX-SNVBAGLBSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC1CC(O)(C[NH2+]Cc2cn[nH]c2C)C1 ZINC000277726804 170330002 /nfs/dbraw/zinc/33/00/02/170330002.db2.gz ODPXITGGBRGEHH-UHFFFAOYSA-N 1 2 239.319 0.738 20 0 BCADLO CCOC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000293994866 170336421 /nfs/dbraw/zinc/33/64/21/170336421.db2.gz JDMGBDSVYHVEHZ-UHFFFAOYSA-N 1 2 233.275 0.588 20 0 BCADLO CCOCC(=O)NCCNc1cccc[nH+]1 ZINC000299239074 170343930 /nfs/dbraw/zinc/34/39/30/170343930.db2.gz UTCDCKHZWBRLML-UHFFFAOYSA-N 1 2 223.276 0.646 20 0 BCADLO CCOCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000070254941 170345311 /nfs/dbraw/zinc/34/53/11/170345311.db2.gz MEKWNXMIUHUWBK-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ncn(C)n1 ZINC000660375051 411575384 /nfs/dbraw/zinc/57/53/84/411575384.db2.gz YWUXBYPRZAUVOP-SFYZADRCSA-N 1 2 246.261 0.890 20 0 BCADLO CCOCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368487619 170378182 /nfs/dbraw/zinc/37/81/82/170378182.db2.gz VFEQCLGFJHHBSO-QMMMGPOBSA-N 1 2 236.262 0.526 20 0 BCADLO CCOCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000281185574 170386477 /nfs/dbraw/zinc/38/64/77/170386477.db2.gz MEFAPDMOVXCSJR-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO CCOCC[N@H+](CC)Cc1nccc(N)n1 ZINC000135061969 170396067 /nfs/dbraw/zinc/39/60/67/170396067.db2.gz CTLBTPBALNBAEC-UHFFFAOYSA-N 1 2 224.308 0.917 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nccc(N)n1 ZINC000135061969 170396068 /nfs/dbraw/zinc/39/60/68/170396068.db2.gz CTLBTPBALNBAEC-UHFFFAOYSA-N 1 2 224.308 0.917 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@H](C)C1=O ZINC000663326872 411625036 /nfs/dbraw/zinc/62/50/36/411625036.db2.gz DPRGUVOYOKFIMR-RQJHMYQMSA-N 1 2 222.248 0.421 20 0 BCADLO OCC1([NH2+]Cc2ccn[nH]2)CCSCC1 ZINC000660776863 411625920 /nfs/dbraw/zinc/62/59/20/411625920.db2.gz KPRYFXHUBQHHRU-UHFFFAOYSA-N 1 2 227.333 0.757 20 0 BCADLO CC[C@@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663328065 411626855 /nfs/dbraw/zinc/62/68/55/411626855.db2.gz OCAFQESCGOPDCF-YUMQZZPRSA-N 1 2 236.275 0.812 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CCOCCF)n1 ZINC000663339562 411629820 /nfs/dbraw/zinc/62/98/20/411629820.db2.gz YXEFNAYDBIAWEC-UHFFFAOYSA-N 1 2 245.302 0.504 20 0 BCADLO CC[N@@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000660789497 411632709 /nfs/dbraw/zinc/63/27/09/411632709.db2.gz ZEXWMFRICKTFTG-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO CC[N@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000660789497 411632712 /nfs/dbraw/zinc/63/27/12/411632712.db2.gz ZEXWMFRICKTFTG-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000660818980 411644045 /nfs/dbraw/zinc/64/40/45/411644045.db2.gz GBIWDSNVUZDHHZ-KOLCDFICSA-N 1 2 238.291 0.360 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000660391191 411578152 /nfs/dbraw/zinc/57/81/52/411578152.db2.gz GDDOMZBZOKJCAS-IVZWLZJFSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000660391191 411578154 /nfs/dbraw/zinc/57/81/54/411578154.db2.gz GDDOMZBZOKJCAS-IVZWLZJFSA-N 1 2 235.274 0.992 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@@H]1OC ZINC000660408329 411580484 /nfs/dbraw/zinc/58/04/84/411580484.db2.gz JFWNNDPINNDBJZ-PHIMTYICSA-N 1 2 225.292 0.266 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@@H]1OC ZINC000660408329 411580485 /nfs/dbraw/zinc/58/04/85/411580485.db2.gz JFWNNDPINNDBJZ-PHIMTYICSA-N 1 2 225.292 0.266 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660420970 411582880 /nfs/dbraw/zinc/58/28/80/411582880.db2.gz VIZIYPVSAFUVOA-BDAKNGLRSA-N 1 2 237.246 0.104 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660420970 411582881 /nfs/dbraw/zinc/58/28/81/411582881.db2.gz VIZIYPVSAFUVOA-BDAKNGLRSA-N 1 2 237.246 0.104 20 0 BCADLO C[C@]1(O)CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660442469 411584857 /nfs/dbraw/zinc/58/48/57/411584857.db2.gz AEHWNYAYQXCEOC-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO C[C@]1(O)CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660442469 411584858 /nfs/dbraw/zinc/58/48/58/411584858.db2.gz AEHWNYAYQXCEOC-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO C[C@@]1(O)CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660442468 411585007 /nfs/dbraw/zinc/58/50/07/411585007.db2.gz AEHWNYAYQXCEOC-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660442468 411585008 /nfs/dbraw/zinc/58/50/08/411585008.db2.gz AEHWNYAYQXCEOC-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)CCCO)[nH]1 ZINC000660477267 411591692 /nfs/dbraw/zinc/59/16/92/411591692.db2.gz OKAUMMXNSXMTRN-QMMMGPOBSA-N 1 2 212.297 0.742 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)CCCO)[nH]1 ZINC000660477267 411591693 /nfs/dbraw/zinc/59/16/93/411591693.db2.gz OKAUMMXNSXMTRN-QMMMGPOBSA-N 1 2 212.297 0.742 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660490002 411593366 /nfs/dbraw/zinc/59/33/66/411593366.db2.gz UNHWVGLRBLMULO-IUCAKERBSA-N 1 2 239.237 0.817 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660490002 411593367 /nfs/dbraw/zinc/59/33/67/411593367.db2.gz UNHWVGLRBLMULO-IUCAKERBSA-N 1 2 239.237 0.817 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000660493982 411593576 /nfs/dbraw/zinc/59/35/76/411593576.db2.gz OCCHQHDOGLDVKC-VXGBXAGGSA-N 1 2 236.319 0.991 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000660493982 411593578 /nfs/dbraw/zinc/59/35/78/411593578.db2.gz OCCHQHDOGLDVKC-VXGBXAGGSA-N 1 2 236.319 0.991 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000660496287 411594608 /nfs/dbraw/zinc/59/46/08/411594608.db2.gz NVVXEWRHIFOCIS-LBPRGKRZSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000660496287 411594610 /nfs/dbraw/zinc/59/46/10/411594610.db2.gz NVVXEWRHIFOCIS-LBPRGKRZSA-N 1 2 236.319 0.850 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CCc2c[nH]nn2)n1 ZINC000660548008 411597670 /nfs/dbraw/zinc/59/76/70/411597670.db2.gz HPKQJNFJTBYCCI-JTQLQIEISA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CCc2c[nH]nn2)n1 ZINC000660548008 411597672 /nfs/dbraw/zinc/59/76/72/411597672.db2.gz HPKQJNFJTBYCCI-JTQLQIEISA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CCc2cn[nH]n2)n1 ZINC000660548008 411597674 /nfs/dbraw/zinc/59/76/74/411597674.db2.gz HPKQJNFJTBYCCI-JTQLQIEISA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CCc2cn[nH]n2)n1 ZINC000660548008 411597676 /nfs/dbraw/zinc/59/76/76/411597676.db2.gz HPKQJNFJTBYCCI-JTQLQIEISA-N 1 2 248.290 0.876 20 0 BCADLO c1[nH+]cn2c1CN(Cc1nnnn1C1CC1)CC2 ZINC000660572986 411602061 /nfs/dbraw/zinc/60/20/61/411602061.db2.gz AXWZIWYGUQNCHY-UHFFFAOYSA-N 1 2 245.290 0.220 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660582310 411603203 /nfs/dbraw/zinc/60/32/03/411603203.db2.gz RCUSZBZDJBHFET-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660582310 411603204 /nfs/dbraw/zinc/60/32/04/411603204.db2.gz RCUSZBZDJBHFET-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCOCC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582310 411603206 /nfs/dbraw/zinc/60/32/06/411603206.db2.gz RCUSZBZDJBHFET-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CCn2c[nH+]cc2C1 ZINC000660583002 411603955 /nfs/dbraw/zinc/60/39/55/411603955.db2.gz DCVBOGIHXAXNFD-NSHDSACASA-N 1 2 223.276 0.039 20 0 BCADLO O[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660647700 411612591 /nfs/dbraw/zinc/61/25/91/411612591.db2.gz TYWYLGFRUNQOCI-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO O[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660647700 411612592 /nfs/dbraw/zinc/61/25/92/411612592.db2.gz TYWYLGFRUNQOCI-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660673122 411616878 /nfs/dbraw/zinc/61/68/78/411616878.db2.gz ZZXKIOAJBYYDPK-KOLCDFICSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@H]1[C@@H](CO)CC[N@H+]1CCc1cnn[nH]1 ZINC000660673122 411616879 /nfs/dbraw/zinc/61/68/79/411616879.db2.gz ZZXKIOAJBYYDPK-KOLCDFICSA-N 1 2 224.308 0.440 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC2(O)CCC2)C1 ZINC000660728453 411619495 /nfs/dbraw/zinc/61/94/95/411619495.db2.gz JTASZJVFPHXJJA-UHFFFAOYSA-N 1 2 247.360 0.410 20 0 BCADLO CCS(=O)(=O)C1CN(CCn2cc[nH+]c2)C1 ZINC000660731363 411619680 /nfs/dbraw/zinc/61/96/80/411619680.db2.gz RERTZICXOQYDFG-UHFFFAOYSA-N 1 2 243.332 0.002 20 0 BCADLO C[C@H](O)CN(Cc1cn(C)c[nH+]1)CC(F)F ZINC000660736570 411619771 /nfs/dbraw/zinc/61/97/71/411619771.db2.gz IJRQTXQGRQYAFR-QMMMGPOBSA-N 1 2 233.262 0.868 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)nc(C)n1 ZINC000660736090 411620024 /nfs/dbraw/zinc/62/00/24/411620024.db2.gz DCLDZRWCAOTBFC-LLVKDONJSA-N 1 2 234.303 0.543 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)nc(C)n1 ZINC000660736090 411620025 /nfs/dbraw/zinc/62/00/25/411620025.db2.gz DCLDZRWCAOTBFC-LLVKDONJSA-N 1 2 234.303 0.543 20 0 BCADLO COC[C@@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000660738070 411620351 /nfs/dbraw/zinc/62/03/51/411620351.db2.gz OKEQQKVGPFTGST-RKDXNWHRSA-N 1 2 241.278 0.596 20 0 BCADLO COC[C@@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000660738070 411620352 /nfs/dbraw/zinc/62/03/52/411620352.db2.gz OKEQQKVGPFTGST-RKDXNWHRSA-N 1 2 241.278 0.596 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC000660753324 411620870 /nfs/dbraw/zinc/62/08/70/411620870.db2.gz YAIHZXSJVYLDPM-RKDXNWHRSA-N 1 2 243.332 0.740 20 0 BCADLO COCCn1cc(CNc2cc(C)[nH+]cn2)cn1 ZINC000336922461 411622322 /nfs/dbraw/zinc/62/23/22/411622322.db2.gz IEJDJJPLRCFTIY-UHFFFAOYSA-N 1 2 247.302 1.240 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OC)no1 ZINC000660767386 411622712 /nfs/dbraw/zinc/62/27/12/411622712.db2.gz QTNHVNIECAJRAD-UHFFFAOYSA-N 1 2 241.291 0.688 20 0 BCADLO COc1nccc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661091222 411703545 /nfs/dbraw/zinc/70/35/45/411703545.db2.gz WYSGTMWTVWEZHV-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1nccc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661091222 411703548 /nfs/dbraw/zinc/70/35/48/411703548.db2.gz WYSGTMWTVWEZHV-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO c1ncn(CCCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000599492372 411706665 /nfs/dbraw/zinc/70/66/65/411706665.db2.gz ILFSKRYHSSISRW-UHFFFAOYSA-N 1 2 244.302 1.448 20 0 BCADLO Cc1ccccc1CNc1nc(C)[nH+]c(N)n1 ZINC000383379741 411715710 /nfs/dbraw/zinc/71/57/10/411715710.db2.gz DZHJIRSUKIXENM-UHFFFAOYSA-N 1 2 229.287 1.105 20 0 BCADLO Cc1ccccc1CNc1nc(N)nc(C)[nH+]1 ZINC000383379741 411715712 /nfs/dbraw/zinc/71/57/12/411715712.db2.gz DZHJIRSUKIXENM-UHFFFAOYSA-N 1 2 229.287 1.105 20 0 BCADLO COC[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000584326988 411647765 /nfs/dbraw/zinc/64/77/65/411647765.db2.gz BCZICIXIVTUSEB-MRVPVSSYSA-N 1 2 239.323 0.940 20 0 BCADLO COC[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000584326988 411647769 /nfs/dbraw/zinc/64/77/69/411647769.db2.gz BCZICIXIVTUSEB-MRVPVSSYSA-N 1 2 239.323 0.940 20 0 BCADLO Cc1cc(NCCCCS(C)(=O)=O)nc[nH+]1 ZINC000425264739 411647852 /nfs/dbraw/zinc/64/78/52/411647852.db2.gz QSNQPRMVHCJWLE-UHFFFAOYSA-N 1 2 243.332 1.022 20 0 BCADLO Cc1cc(NCC[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000381538087 411650674 /nfs/dbraw/zinc/65/06/74/411650674.db2.gz GLJVBYYQSOMBFL-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BCADLO Cc1cc(NC[C@H](C)S(C)(=O)=O)nc[nH+]1 ZINC000380140018 411651045 /nfs/dbraw/zinc/65/10/45/411651045.db2.gz VIAVMFFVEYUUNR-QMMMGPOBSA-N 1 2 229.305 0.630 20 0 BCADLO C[N@H+](CCOC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660842260 411652510 /nfs/dbraw/zinc/65/25/10/411652510.db2.gz MSCGWNJFBOXYIT-UHFFFAOYSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@@H+](CCOC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660842260 411652514 /nfs/dbraw/zinc/65/25/14/411652514.db2.gz MSCGWNJFBOXYIT-UHFFFAOYSA-N 1 2 227.264 0.776 20 0 BCADLO Cc1cc(NC[C@H](O)[C@H]2CCCO2)nc[nH+]1 ZINC000528131421 411652878 /nfs/dbraw/zinc/65/28/78/411652878.db2.gz BGECTSGSWGFNJB-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NC[C@H]2CC[C@@H](CO)O2)nc[nH+]1 ZINC000348226091 411653740 /nfs/dbraw/zinc/65/37/40/411653740.db2.gz UAFSMYBWDBJPAP-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccnc1N ZINC000660843082 411653951 /nfs/dbraw/zinc/65/39/51/411653951.db2.gz UGHIJRCUJRSWFW-UHFFFAOYSA-N 1 2 235.247 0.384 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccnc1N ZINC000660843082 411653953 /nfs/dbraw/zinc/65/39/53/411653953.db2.gz UGHIJRCUJRSWFW-UHFFFAOYSA-N 1 2 235.247 0.384 20 0 BCADLO Cc1cc(NCc2cn(C(C)C)nn2)nc[nH+]1 ZINC000582736123 411654591 /nfs/dbraw/zinc/65/45/91/411654591.db2.gz UABLCSRIOUPMEK-UHFFFAOYSA-N 1 2 232.291 1.570 20 0 BCADLO COC[C@](C)(O)CCNc1cc(C)[nH+]cn1 ZINC000450595102 411655426 /nfs/dbraw/zinc/65/54/26/411655426.db2.gz QKHKHQSMPGNVAM-LLVKDONJSA-N 1 2 225.292 0.984 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)[nH]1 ZINC000661139654 411717160 /nfs/dbraw/zinc/71/71/60/411717160.db2.gz JFIDEYUPNQVFHE-SNVBAGLBSA-N 1 2 247.306 0.227 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)[nH]1 ZINC000661139654 411717164 /nfs/dbraw/zinc/71/71/64/411717164.db2.gz JFIDEYUPNQVFHE-SNVBAGLBSA-N 1 2 247.306 0.227 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC000660905066 411667521 /nfs/dbraw/zinc/66/75/21/411667521.db2.gz VLNFJNVMTCLOON-GHMZBOCLSA-N 1 2 226.276 0.795 20 0 BCADLO CO[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000342459490 411669041 /nfs/dbraw/zinc/66/90/41/411669041.db2.gz PKYAVIBSVQGNQR-YUMQZZPRSA-N 1 2 239.323 1.081 20 0 BCADLO CO[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000342459490 411669048 /nfs/dbraw/zinc/66/90/48/411669048.db2.gz PKYAVIBSVQGNQR-YUMQZZPRSA-N 1 2 239.323 1.081 20 0 BCADLO O=C1CCCN1CCCNc1cc(CO)cc[nH+]1 ZINC000641249499 411671487 /nfs/dbraw/zinc/67/14/87/411671487.db2.gz HAWKSBGFJTUOQY-UHFFFAOYSA-N 1 2 249.314 0.998 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000566160273 411671776 /nfs/dbraw/zinc/67/17/76/411671776.db2.gz DJVTYZZXZQZMLR-NXEZZACHSA-N 1 2 237.303 1.426 20 0 BCADLO CC1(C)C[C@H]([N@@H+]2CCn3nncc3C2)CO1 ZINC000660922522 411674314 /nfs/dbraw/zinc/67/43/14/411674314.db2.gz FQMILTNAVDAAMR-VIFPVBQESA-N 1 2 222.292 0.661 20 0 BCADLO CC1(C)C[C@H]([N@H+]2CCn3nncc3C2)CO1 ZINC000660922522 411674320 /nfs/dbraw/zinc/67/43/20/411674320.db2.gz FQMILTNAVDAAMR-VIFPVBQESA-N 1 2 222.292 0.661 20 0 BCADLO Cc1ccc(CCNc2nccc(CO)n2)[nH+]c1 ZINC000413360973 411678592 /nfs/dbraw/zinc/67/85/92/411678592.db2.gz ZQUZFIUBDRWKFR-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H](C)CO ZINC000647853813 411678815 /nfs/dbraw/zinc/67/88/15/411678815.db2.gz KYAFPXVYPLFVLK-SSDOTTSWSA-N 1 2 237.303 1.464 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cnc(C)o1 ZINC000397948811 411682563 /nfs/dbraw/zinc/68/25/63/411682563.db2.gz NTPJXRADMHFNFE-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cnc(C)o1 ZINC000397948811 411682566 /nfs/dbraw/zinc/68/25/66/411682566.db2.gz NTPJXRADMHFNFE-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@@H](C)O1 ZINC000397934761 411682649 /nfs/dbraw/zinc/68/26/49/411682649.db2.gz WPEZUNIKJYLDGT-HTQZYQBOSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@@H](C)O1 ZINC000397934761 411682651 /nfs/dbraw/zinc/68/26/51/411682651.db2.gz WPEZUNIKJYLDGT-HTQZYQBOSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](CO)C(C)C ZINC000394048289 411682754 /nfs/dbraw/zinc/68/27/54/411682754.db2.gz YHQKRIKQXPTEDS-MRVPVSSYSA-N 1 2 240.307 0.744 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](CO)C(C)C ZINC000394048289 411682756 /nfs/dbraw/zinc/68/27/56/411682756.db2.gz YHQKRIKQXPTEDS-MRVPVSSYSA-N 1 2 240.307 0.744 20 0 BCADLO OCCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000365966653 411688484 /nfs/dbraw/zinc/68/84/84/411688484.db2.gz VCTJKJNQYLDLQW-UHFFFAOYSA-N 1 2 232.287 1.452 20 0 BCADLO OC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000447803017 411690447 /nfs/dbraw/zinc/69/04/47/411690447.db2.gz PMSQMURDGQBYMM-QWRGUYRKSA-N 1 2 249.314 1.306 20 0 BCADLO OCc1ccnc(NCCCn2cc[nH+]c2)c1 ZINC000641252708 411692434 /nfs/dbraw/zinc/69/24/34/411692434.db2.gz QWLJRHOWICFKFC-UHFFFAOYSA-N 1 2 232.287 1.273 20 0 BCADLO Cc1ccc(NC[C@@H]2COCC[N@H+]2C)nn1 ZINC000624621874 411693236 /nfs/dbraw/zinc/69/32/36/411693236.db2.gz KPIIOFZOAGCCMF-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)nn1 ZINC000624621874 411693240 /nfs/dbraw/zinc/69/32/40/411693240.db2.gz KPIIOFZOAGCCMF-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661084217 411695751 /nfs/dbraw/zinc/69/57/51/411695751.db2.gz CFOVEWKNRWPCCN-SNVBAGLBSA-N 1 2 213.281 0.239 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661084217 411695753 /nfs/dbraw/zinc/69/57/53/411695753.db2.gz CFOVEWKNRWPCCN-SNVBAGLBSA-N 1 2 213.281 0.239 20 0 BCADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000336693965 411696944 /nfs/dbraw/zinc/69/69/44/411696944.db2.gz YIBVNUIVLMLNNX-SSDOTTSWSA-N 1 2 229.230 1.392 20 0 BCADLO Cc1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)nn1 ZINC000663516860 411697470 /nfs/dbraw/zinc/69/74/70/411697470.db2.gz CBZLLCTYXGDALJ-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccc(NCC[N@H+]2CCO[C@@H](C)C2)nn1 ZINC000663516860 411697475 /nfs/dbraw/zinc/69/74/75/411697475.db2.gz CBZLLCTYXGDALJ-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO c1cc(NC[C@H]2COCCO2)nc(C2CC2)[nH+]1 ZINC000599533789 411701623 /nfs/dbraw/zinc/70/16/23/411701623.db2.gz DAVCEKLKXLLCFK-JTQLQIEISA-N 1 2 235.287 1.181 20 0 BCADLO CN(Cc1csnn1)Cc1c[nH+]c[nH]1 ZINC000661090454 411702864 /nfs/dbraw/zinc/70/28/64/411702864.db2.gz PSJWNJNJPBVKGT-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO CN(Cc1csnn1)Cc1c[nH]c[nH+]1 ZINC000661090454 411702866 /nfs/dbraw/zinc/70/28/66/411702866.db2.gz PSJWNJNJPBVKGT-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO CC[C@@H](CNc1cc[nH+]c(C)n1)C(=O)OC ZINC000591976694 411728907 /nfs/dbraw/zinc/72/89/07/411728907.db2.gz SLZMXIONFJJFTQ-VIFPVBQESA-N 1 2 223.276 1.396 20 0 BCADLO Cn1nnnc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661500365 411791668 /nfs/dbraw/zinc/79/16/68/411791668.db2.gz GEZBPXXONJCKJT-PHIMTYICSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnnc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661500365 411791671 /nfs/dbraw/zinc/79/16/71/411791671.db2.gz GEZBPXXONJCKJT-PHIMTYICSA-N 1 2 237.307 0.069 20 0 BCADLO Cc1cnc(C)nc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000576885793 411734474 /nfs/dbraw/zinc/73/44/74/411734474.db2.gz FYXPXMSGFAIFRH-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)nc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000576885793 411734480 /nfs/dbraw/zinc/73/44/80/411734480.db2.gz FYXPXMSGFAIFRH-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCn1cccn1 ZINC000577509328 411735269 /nfs/dbraw/zinc/73/52/69/411735269.db2.gz DNUJRMUPOCJNLE-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCc1nnc[nH]1 ZINC000578549377 411735847 /nfs/dbraw/zinc/73/58/47/411735847.db2.gz JRJDFOCSSFUNLJ-UHFFFAOYSA-N 1 2 232.291 1.256 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)c1ncn(C)n1 ZINC000566572878 411735983 /nfs/dbraw/zinc/73/59/83/411735983.db2.gz XPMBVHPBLJJQDB-QMMMGPOBSA-N 1 2 232.291 1.395 20 0 BCADLO Cc1cnc(CCNc2cc(C)[nH+]cn2)cn1 ZINC000413344050 411737353 /nfs/dbraw/zinc/73/73/53/411737353.db2.gz CEQANSDMMBFYCH-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO Cc1cnc(NCC[N@H+]2CCOC[C@H]2C)nc1 ZINC000340048658 411737661 /nfs/dbraw/zinc/73/76/61/411737661.db2.gz VWXUNBSKQDFQSH-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnc(NCC[N@@H+]2CCOC[C@H]2C)nc1 ZINC000340048658 411737666 /nfs/dbraw/zinc/73/76/66/411737666.db2.gz VWXUNBSKQDFQSH-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H]1COCCO1 ZINC000576412994 411738116 /nfs/dbraw/zinc/73/81/16/411738116.db2.gz XZLCYWOIGCETOE-JTQLQIEISA-N 1 2 223.276 0.921 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)[C@H](C)CO ZINC000583214135 411738496 /nfs/dbraw/zinc/73/84/96/411738496.db2.gz KYNVLQGPTXVUJY-RKDXNWHRSA-N 1 2 209.293 1.522 20 0 BCADLO CSCCNc1[nH+]cnc2c1OCCN2 ZINC000591137278 411792201 /nfs/dbraw/zinc/79/22/01/411792201.db2.gz LLJFBVYLQMOJEH-UHFFFAOYSA-N 1 2 226.305 1.056 20 0 BCADLO CSCCNc1nc[nH+]c2c1OCCN2 ZINC000591137278 411792205 /nfs/dbraw/zinc/79/22/05/411792205.db2.gz LLJFBVYLQMOJEH-UHFFFAOYSA-N 1 2 226.305 1.056 20 0 BCADLO CC[C@H](Nc1[nH+]c2ccccc2n1C)C(=O)NC ZINC000450939738 411752368 /nfs/dbraw/zinc/75/23/68/411752368.db2.gz KSAUKBJJTMMUHF-VIFPVBQESA-N 1 2 246.314 1.510 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000661349931 411753874 /nfs/dbraw/zinc/75/38/74/411753874.db2.gz YCNFTCAZAOXTSC-RKDXNWHRSA-N 1 2 238.291 0.729 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000661349931 411753877 /nfs/dbraw/zinc/75/38/77/411753877.db2.gz YCNFTCAZAOXTSC-RKDXNWHRSA-N 1 2 238.291 0.729 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2CCOC2)[nH+]1 ZINC000488399727 411765313 /nfs/dbraw/zinc/76/53/13/411765313.db2.gz SSKHLRJFJDKKBA-VIFPVBQESA-N 1 2 237.307 0.694 20 0 BCADLO Cc1nc(NC[C@@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000488399727 411765314 /nfs/dbraw/zinc/76/53/14/411765314.db2.gz SSKHLRJFJDKKBA-VIFPVBQESA-N 1 2 237.307 0.694 20 0 BCADLO Cc1nc(N(C)C)nc(NCCC[C@@H](C)O)[nH+]1 ZINC000432827616 411765340 /nfs/dbraw/zinc/76/53/40/411765340.db2.gz DHRUBIAEANQHLD-MRVPVSSYSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(NCCC[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000432827616 411765342 /nfs/dbraw/zinc/76/53/42/411765342.db2.gz DHRUBIAEANQHLD-MRVPVSSYSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2CC23CC3)[nH+]1 ZINC000566668629 411766132 /nfs/dbraw/zinc/76/61/32/411766132.db2.gz PMRMIIVUSMGJMC-VIFPVBQESA-N 1 2 233.319 1.458 20 0 BCADLO Cc1nc(NC[C@@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000566668629 411766134 /nfs/dbraw/zinc/76/61/34/411766134.db2.gz PMRMIIVUSMGJMC-VIFPVBQESA-N 1 2 233.319 1.458 20 0 BCADLO CCc1cc(NCc2ccc(=O)[nH]n2)nc[nH+]1 ZINC000391552689 411768280 /nfs/dbraw/zinc/76/82/80/411768280.db2.gz OSHSUMIYPRDPKS-UHFFFAOYSA-N 1 2 231.259 1.147 20 0 BCADLO CCc1cc(NC[C@H](O)Cn2ccnn2)nc[nH+]1 ZINC000631298400 411768382 /nfs/dbraw/zinc/76/83/82/411768382.db2.gz IXUPADOWPZGCCH-JTQLQIEISA-N 1 2 248.290 0.104 20 0 BCADLO CCc1cc(NC[C@@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000644879510 411768487 /nfs/dbraw/zinc/76/84/87/411768487.db2.gz RBXSZGULWZHDKW-SNVBAGLBSA-N 1 2 248.330 1.319 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H]2F)[nH+]1 ZINC000338844792 411769109 /nfs/dbraw/zinc/76/91/09/411769109.db2.gz RIXBIJNGAHBECQ-RKDXNWHRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@H]2F)nc(N(C)C)[nH+]1 ZINC000338844792 411769115 /nfs/dbraw/zinc/76/91/15/411769115.db2.gz RIXBIJNGAHBECQ-RKDXNWHRSA-N 1 2 239.298 1.549 20 0 BCADLO CCc1cc(NC[C@@H](O)Cn2ccnn2)nc[nH+]1 ZINC000631298401 411769270 /nfs/dbraw/zinc/76/92/70/411769270.db2.gz IXUPADOWPZGCCH-SNVBAGLBSA-N 1 2 248.290 0.104 20 0 BCADLO CCc1cc(NCCCn2cncn2)nc[nH+]1 ZINC000381320712 411769431 /nfs/dbraw/zinc/76/94/31/411769431.db2.gz WGAJJVNJFHBCSM-UHFFFAOYSA-N 1 2 232.291 1.133 20 0 BCADLO O[C@@H]1CCN(CCn2cc[nH+]c2)CC1(F)F ZINC000661410645 411770905 /nfs/dbraw/zinc/77/09/05/411770905.db2.gz TYWSPUYBGGNMLC-SECBINFHSA-N 1 2 231.246 0.585 20 0 BCADLO Fc1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000663919405 411775181 /nfs/dbraw/zinc/77/51/81/411775181.db2.gz OFZKDUJISLZFJU-UHFFFAOYSA-N 1 2 219.223 0.902 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)C(F)F)[nH+]1 ZINC000433787605 411777386 /nfs/dbraw/zinc/77/73/86/411777386.db2.gz WIOXQVKZZLTGII-SSDOTTSWSA-N 1 2 242.229 1.304 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2nc[nH]n2)[nH+]1 ZINC000349895556 411778443 /nfs/dbraw/zinc/77/84/43/411778443.db2.gz ROUOYRLCQOAHMV-LURJTMIESA-N 1 2 243.274 1.558 20 0 BCADLO CC(C)[C@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000663939150 411782865 /nfs/dbraw/zinc/78/28/65/411782865.db2.gz LVNKPGMWTVNKIG-SECBINFHSA-N 1 2 248.286 0.740 20 0 BCADLO Cc1nc(N[C@H](C)c2nccc(N)n2)cc[nH+]1 ZINC000631348173 411785938 /nfs/dbraw/zinc/78/59/38/411785938.db2.gz PJZQEJMSODWEDZ-SSDOTTSWSA-N 1 2 230.275 0.752 20 0 BCADLO C[C@H]1CCC[N@H+](CCc2cnn[nH]2)[C@H]1CCO ZINC000661497763 411788923 /nfs/dbraw/zinc/78/89/23/411788923.db2.gz KEHOIEKGFPMSII-JQWIXIFHSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H]1CCC[N@@H+](CCc2cnn[nH]2)[C@H]1CCO ZINC000661497763 411788926 /nfs/dbraw/zinc/78/89/26/411788926.db2.gz KEHOIEKGFPMSII-JQWIXIFHSA-N 1 2 238.335 0.830 20 0 BCADLO Cc1cc(N[C@@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000663674158 411719730 /nfs/dbraw/zinc/71/97/30/411719730.db2.gz QENKSQQQOOCQBM-SECBINFHSA-N 1 2 235.291 0.740 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661167153 411727105 /nfs/dbraw/zinc/72/71/05/411727105.db2.gz MMAOANIIOAYEJB-NSHDSACASA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661167153 411727108 /nfs/dbraw/zinc/72/71/08/411727108.db2.gz MMAOANIIOAYEJB-NSHDSACASA-N 1 2 212.293 0.233 20 0 BCADLO COCCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000380007705 411863828 /nfs/dbraw/zinc/86/38/28/411863828.db2.gz LMIPMLKEEOFFDT-UHFFFAOYSA-N 1 2 211.269 0.235 20 0 BCADLO COCCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000380007705 411863831 /nfs/dbraw/zinc/86/38/31/411863831.db2.gz LMIPMLKEEOFFDT-UHFFFAOYSA-N 1 2 211.269 0.235 20 0 BCADLO Cc1cc(N[C@H]2CCNC2=O)nc(C2CC2)[nH+]1 ZINC000664132166 411864627 /nfs/dbraw/zinc/86/46/27/411864627.db2.gz ALICXTDQKVGUOY-VIFPVBQESA-N 1 2 232.287 0.963 20 0 BCADLO c1cn(-c2cc(N3CCC34COC4)ncn2)c[nH+]1 ZINC000663973601 411797147 /nfs/dbraw/zinc/79/71/47/411797147.db2.gz CALVMJPAKHJSRA-UHFFFAOYSA-N 1 2 243.270 0.641 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@H+]2C)s1 ZINC000624620120 411800497 /nfs/dbraw/zinc/80/04/97/411800497.db2.gz VLIVTHAMQLEXGV-QMMMGPOBSA-N 1 2 228.321 0.589 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@@H+]2C)s1 ZINC000624620120 411800500 /nfs/dbraw/zinc/80/05/00/411800500.db2.gz VLIVTHAMQLEXGV-QMMMGPOBSA-N 1 2 228.321 0.589 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661552051 411801012 /nfs/dbraw/zinc/80/10/12/411801012.db2.gz ZJIQGNRSEWDOAV-IWSPIJDZSA-N 1 2 212.293 0.407 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1COCCO1 ZINC000664000575 411809122 /nfs/dbraw/zinc/80/91/22/411809122.db2.gz VFFKYYXAOIKQMJ-MRVPVSSYSA-N 1 2 249.274 0.283 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC[C@@H](C)O ZINC000664000294 411809489 /nfs/dbraw/zinc/80/94/89/411809489.db2.gz RSLTVNSTBDJBCE-SSDOTTSWSA-N 1 2 221.264 0.639 20 0 BCADLO C[C@@H](C(=O)Nc1ccn(C)n1)[NH+]1CC(C)C1 ZINC000574097718 411810424 /nfs/dbraw/zinc/81/04/24/411810424.db2.gz FHDXINPLTRJUJP-VIFPVBQESA-N 1 2 222.292 0.699 20 0 BCADLO CCn1cc[nH+]c1CNc1ccc(OC)nn1 ZINC000579742454 411811998 /nfs/dbraw/zinc/81/19/98/411811998.db2.gz XYFDSCDYJPIDFQ-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BCADLO CCn1c[nH+]cc1CNc1nnc(OC)s1 ZINC000416428343 411816216 /nfs/dbraw/zinc/81/62/16/411816216.db2.gz QGIJBMDLAABLHQ-UHFFFAOYSA-N 1 2 239.304 1.375 20 0 BCADLO Cc1cnc(C[N@H+](C)C[C@@H]2COCCO2)nc1 ZINC000661612272 411816453 /nfs/dbraw/zinc/81/64/53/411816453.db2.gz PQAWPWJFPZYZPS-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO Cc1cnc(C[N@@H+](C)C[C@@H]2COCCO2)nc1 ZINC000661612272 411816455 /nfs/dbraw/zinc/81/64/55/411816455.db2.gz PQAWPWJFPZYZPS-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO C[N@@H+](Cc1cnns1)C[C@@H]1COCCO1 ZINC000661609482 411816504 /nfs/dbraw/zinc/81/65/04/411816504.db2.gz ASFAPJYGKJFHPH-MRVPVSSYSA-N 1 2 229.305 0.385 20 0 BCADLO C[N@H+](Cc1cnns1)C[C@@H]1COCCO1 ZINC000661609482 411816508 /nfs/dbraw/zinc/81/65/08/411816508.db2.gz ASFAPJYGKJFHPH-MRVPVSSYSA-N 1 2 229.305 0.385 20 0 BCADLO Cc1cc(N[C@H](CO)Cc2cnn(C)c2)nc[nH+]1 ZINC000664027153 411817558 /nfs/dbraw/zinc/81/75/58/411817558.db2.gz ZWWOWBNULMCIBK-NSHDSACASA-N 1 2 247.302 0.534 20 0 BCADLO OCC1(O)CC[NH+](Cc2ccncc2F)CC1 ZINC000661619222 411817720 /nfs/dbraw/zinc/81/77/20/411817720.db2.gz HPECICXDSUWQAJ-UHFFFAOYSA-N 1 2 240.278 0.540 20 0 BCADLO C[C@@H](CO)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000361781273 411820727 /nfs/dbraw/zinc/82/07/27/411820727.db2.gz NKGWPVGSIRUUOO-SNVBAGLBSA-N 1 2 232.287 1.308 20 0 BCADLO Cn1c[nH+]cc1CCN1CCCCS1(=O)=O ZINC000664041606 411823890 /nfs/dbraw/zinc/82/38/90/411823890.db2.gz MCCYJBINJCQCJZ-UHFFFAOYSA-N 1 2 243.332 0.388 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)[nH]1 ZINC000661628414 411824527 /nfs/dbraw/zinc/82/45/27/411824527.db2.gz TXBRUSOXPLWGKK-GDGBQDQQSA-N 1 2 238.335 0.816 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)[nH]1 ZINC000661628414 411824528 /nfs/dbraw/zinc/82/45/28/411824528.db2.gz TXBRUSOXPLWGKK-GDGBQDQQSA-N 1 2 238.335 0.816 20 0 BCADLO CCc1nnc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)[nH]1 ZINC000661628415 411824691 /nfs/dbraw/zinc/82/46/91/411824691.db2.gz TXBRUSOXPLWGKK-IUCAKERBSA-N 1 2 238.335 0.816 20 0 BCADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(=O)N(C)C ZINC000357651619 411829947 /nfs/dbraw/zinc/82/99/47/411829947.db2.gz VUHIAVWNZFFBMF-MRVPVSSYSA-N 1 2 234.303 1.243 20 0 BCADLO Cn1cc(C[N@H+](C)CC2=CCCOC2)nn1 ZINC000661656149 411831168 /nfs/dbraw/zinc/83/11/68/411831168.db2.gz VUDXEYBDDVSDOF-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO Cn1cc(C[N@@H+](C)CC2=CCCOC2)nn1 ZINC000661656149 411831172 /nfs/dbraw/zinc/83/11/72/411831172.db2.gz VUDXEYBDDVSDOF-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661694595 411843220 /nfs/dbraw/zinc/84/32/20/411843220.db2.gz ZIXPJFNGFHAQJA-VIFPVBQESA-N 1 2 227.287 0.782 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661694595 411843224 /nfs/dbraw/zinc/84/32/24/411843224.db2.gz ZIXPJFNGFHAQJA-VIFPVBQESA-N 1 2 227.287 0.782 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000567974737 411844501 /nfs/dbraw/zinc/84/45/01/411844501.db2.gz GQLGYPOLUFDERG-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000651412527 411847294 /nfs/dbraw/zinc/84/72/94/411847294.db2.gz XFLQYAAAYGCHIF-MGCOHNPYSA-N 1 2 246.314 0.760 20 0 BCADLO C/C=C\C[C@@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631209963 411849136 /nfs/dbraw/zinc/84/91/36/411849136.db2.gz CPEYESPBFRQFFM-VEMNSZJBSA-N 1 2 223.280 0.501 20 0 BCADLO C/C=C\C[C@@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631209963 411849138 /nfs/dbraw/zinc/84/91/38/411849138.db2.gz CPEYESPBFRQFFM-VEMNSZJBSA-N 1 2 223.280 0.501 20 0 BCADLO COc1ccc(CNc2nc(C)[nH+]c(N)n2)nc1 ZINC000631248568 411851394 /nfs/dbraw/zinc/85/13/94/411851394.db2.gz RSFLLBQTCWROPN-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO COc1ccc(CNc2nc(N)nc(C)[nH+]2)nc1 ZINC000631248568 411851399 /nfs/dbraw/zinc/85/13/99/411851399.db2.gz RSFLLBQTCWROPN-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(C3CC3)no1)CC2 ZINC000661713756 411853174 /nfs/dbraw/zinc/85/31/74/411853174.db2.gz TZZDODRDRIHIQB-JOYOIKCWSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CC3)no1)CC2 ZINC000661713756 411853177 /nfs/dbraw/zinc/85/31/77/411853177.db2.gz TZZDODRDRIHIQB-JOYOIKCWSA-N 1 2 235.287 0.904 20 0 BCADLO CC(=O)NC(C)(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084502 411854930 /nfs/dbraw/zinc/85/49/30/411854930.db2.gz NMUVEDBCWKQLNN-UHFFFAOYSA-N 1 2 236.275 0.517 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722275 411857688 /nfs/dbraw/zinc/85/76/88/411857688.db2.gz YVHWAMFVEIOWPM-GXFFZTMASA-N 1 2 248.330 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722275 411857690 /nfs/dbraw/zinc/85/76/90/411857690.db2.gz YVHWAMFVEIOWPM-GXFFZTMASA-N 1 2 248.330 0.649 20 0 BCADLO COCC[C@H](C)CNc1nc(C)[nH+]c(N)n1 ZINC000631299924 411862430 /nfs/dbraw/zinc/86/24/30/411862430.db2.gz UXDJDBUZJBXFJR-ZETCQYMHSA-N 1 2 225.296 0.269 20 0 BCADLO COCC[C@H](C)CNc1nc(N)nc(C)[nH+]1 ZINC000631299924 411862435 /nfs/dbraw/zinc/86/24/35/411862435.db2.gz UXDJDBUZJBXFJR-ZETCQYMHSA-N 1 2 225.296 0.269 20 0 BCADLO CC[C@H](C)[C@@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117061 411886704 /nfs/dbraw/zinc/88/67/04/411886704.db2.gz IYDRZHVCKOAHAL-XPUUQOCRSA-N 1 2 225.296 0.003 20 0 BCADLO CC[C@H](C)[C@@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117061 411886710 /nfs/dbraw/zinc/88/67/10/411886710.db2.gz IYDRZHVCKOAHAL-XPUUQOCRSA-N 1 2 225.296 0.003 20 0 BCADLO Cn1ccc(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000661805620 411888617 /nfs/dbraw/zinc/88/86/17/411888617.db2.gz NUXAICHAANUPLS-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000661805620 411888619 /nfs/dbraw/zinc/88/86/19/411888619.db2.gz NUXAICHAANUPLS-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@@H](O)CN(Cc1cc[nH+]c(N)c1)CC(F)F ZINC000411797094 411890709 /nfs/dbraw/zinc/89/07/09/411890709.db2.gz SZZRZCXSMSVRDF-MRVPVSSYSA-N 1 2 245.273 1.112 20 0 BCADLO CCc1noc(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000661815500 411891100 /nfs/dbraw/zinc/89/11/00/411891100.db2.gz YTDGGCMHMGTOCA-UHFFFAOYSA-N 1 2 238.291 0.296 20 0 BCADLO CCc1noc(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000661815500 411891105 /nfs/dbraw/zinc/89/11/05/411891105.db2.gz YTDGGCMHMGTOCA-UHFFFAOYSA-N 1 2 238.291 0.296 20 0 BCADLO C[C@@H](O)CNc1cc(NC/C=C\CO)nc[nH+]1 ZINC000664235345 411892147 /nfs/dbraw/zinc/89/21/47/411892147.db2.gz GXYGHYCZWSKNNZ-PKRMOACSSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@@H](O)CNc1cc(NC/C=C\CO)[nH+]cn1 ZINC000664235345 411892150 /nfs/dbraw/zinc/89/21/50/411892150.db2.gz GXYGHYCZWSKNNZ-PKRMOACSSA-N 1 2 238.291 0.230 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084475 411894072 /nfs/dbraw/zinc/89/40/72/411894072.db2.gz AXOQLGDYZNJGRC-SSDOTTSWSA-N 1 2 236.275 0.517 20 0 BCADLO CCC(CC)CNc1nc(C)[nH+]c(N)n1 ZINC000379810858 411894904 /nfs/dbraw/zinc/89/49/04/411894904.db2.gz AEGWMSDEFYJECU-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO CCC(CC)CNc1nc(N)nc(C)[nH+]1 ZINC000379810858 411894910 /nfs/dbraw/zinc/89/49/10/411894910.db2.gz AEGWMSDEFYJECU-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO C[C@@H](CNC(=O)c1ncnn1C)Cn1cc[nH+]c1 ZINC000664250709 411898446 /nfs/dbraw/zinc/89/84/46/411898446.db2.gz RJOPEGOIDASEHW-VIFPVBQESA-N 1 2 248.290 0.078 20 0 BCADLO CNC(=O)[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000575064300 411898634 /nfs/dbraw/zinc/89/86/34/411898634.db2.gz OXSZQLQRYJLHOL-ZETCQYMHSA-N 1 2 245.286 0.180 20 0 BCADLO CO[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631278808 411898746 /nfs/dbraw/zinc/89/87/46/411898746.db2.gz ORCNJDSEMWBCAD-PHDIDXHHSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@H](C)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631278808 411898750 /nfs/dbraw/zinc/89/87/50/411898750.db2.gz ORCNJDSEMWBCAD-PHDIDXHHSA-N 1 2 211.269 0.019 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C[C@H](O)C23CCC3)no1 ZINC000661842197 411899965 /nfs/dbraw/zinc/89/99/65/411899965.db2.gz SQDXQBIGBKOLNL-IUCAKERBSA-N 1 2 223.276 0.771 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccnc(N)c1 ZINC000595680220 411904848 /nfs/dbraw/zinc/90/48/48/411904848.db2.gz OAWAWEDDSZGLBR-UHFFFAOYSA-N 1 2 247.298 0.801 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccnc(N)c1 ZINC000595680220 411904857 /nfs/dbraw/zinc/90/48/57/411904857.db2.gz OAWAWEDDSZGLBR-UHFFFAOYSA-N 1 2 247.298 0.801 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncnn1C ZINC000664274879 411908152 /nfs/dbraw/zinc/90/81/52/411908152.db2.gz DPLPQNVCHVZZLM-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO C[C@@H]1CN(Cc2cc[nH+]c(N)c2)CC[S@]1=O ZINC000393749457 411909882 /nfs/dbraw/zinc/90/98/82/411909882.db2.gz QAXHJVTYPRFFHX-ABKXIKBNSA-N 1 2 239.344 0.617 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000331321082 411911287 /nfs/dbraw/zinc/91/12/87/411911287.db2.gz FCAFJFBSWGGEFA-LLVKDONJSA-N 1 2 248.330 0.764 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000331321082 411911291 /nfs/dbraw/zinc/91/12/91/411911291.db2.gz FCAFJFBSWGGEFA-LLVKDONJSA-N 1 2 248.330 0.764 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ncc[nH]2)c[nH+]1 ZINC000622596896 411915082 /nfs/dbraw/zinc/91/50/82/411915082.db2.gz NLKNEZWROUGBPR-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO CCC[C@H](CCO)CNc1nc(C)[nH+]c(N)n1 ZINC000383613661 411915268 /nfs/dbraw/zinc/91/52/68/411915268.db2.gz TVUHNKJZGOLXFH-SECBINFHSA-N 1 2 239.323 0.395 20 0 BCADLO CCC[C@H](CCO)CNc1nc(N)nc(C)[nH+]1 ZINC000383613661 411915272 /nfs/dbraw/zinc/91/52/72/411915272.db2.gz TVUHNKJZGOLXFH-SECBINFHSA-N 1 2 239.323 0.395 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccco2)c[nH+]1 ZINC000563690446 411915899 /nfs/dbraw/zinc/91/58/99/411915899.db2.gz BGKBYMYYHRYUBI-UHFFFAOYSA-N 1 2 232.243 0.890 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccc(N)nc1 ZINC000647538811 411917316 /nfs/dbraw/zinc/91/73/16/411917316.db2.gz INRYXRPBFRIEBG-SECBINFHSA-N 1 2 244.302 0.832 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccc(N)nc1 ZINC000647538811 411917321 /nfs/dbraw/zinc/91/73/21/411917321.db2.gz INRYXRPBFRIEBG-SECBINFHSA-N 1 2 244.302 0.832 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCOC2)nc(N)[nH+]1 ZINC000398925046 411942998 /nfs/dbraw/zinc/94/29/98/411942998.db2.gz MUJUYJUUSNWWLA-MRVPVSSYSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@H]2CCOC2)[nH+]1 ZINC000398925046 411943002 /nfs/dbraw/zinc/94/30/02/411943002.db2.gz MUJUYJUUSNWWLA-MRVPVSSYSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1cc(N(C)C[C@H]2COCCO2)nc[nH+]1 ZINC000664336421 411924600 /nfs/dbraw/zinc/92/46/00/411924600.db2.gz BIMDXCIGSVUWJK-JTQLQIEISA-N 1 2 223.276 0.637 20 0 BCADLO Cc1nc(NC[C@@H]2CCC(C)(C)O2)nc(N)[nH+]1 ZINC000631223891 411943166 /nfs/dbraw/zinc/94/31/66/411943166.db2.gz YZPHHHYKLVBXIV-QMMMGPOBSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC(C)(C)O2)[nH+]1 ZINC000631223891 411943173 /nfs/dbraw/zinc/94/31/73/411943173.db2.gz YZPHHHYKLVBXIV-QMMMGPOBSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(NCC2=CCCC2)nc(N)[nH+]1 ZINC000631377884 411943282 /nfs/dbraw/zinc/94/32/82/411943282.db2.gz HXIHPNSGEPINEQ-UHFFFAOYSA-N 1 2 205.265 0.706 20 0 BCADLO Cc1nc(N)nc(NCC2=CCCC2)[nH+]1 ZINC000631377884 411943287 /nfs/dbraw/zinc/94/32/87/411943287.db2.gz HXIHPNSGEPINEQ-UHFFFAOYSA-N 1 2 205.265 0.706 20 0 BCADLO O=c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nc2cc[nH]n21 ZINC000661971384 411927769 /nfs/dbraw/zinc/92/77/69/411927769.db2.gz NRWRRHVHSZANSY-NXEZZACHSA-N 1 2 244.298 0.864 20 0 BCADLO O=c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nc2cc[nH]n21 ZINC000661971384 411927771 /nfs/dbraw/zinc/92/77/71/411927771.db2.gz NRWRRHVHSZANSY-NXEZZACHSA-N 1 2 244.298 0.864 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661972685 411928855 /nfs/dbraw/zinc/92/88/55/411928855.db2.gz JUYYFOOQDHYFAW-IUCAKERBSA-N 1 2 248.334 0.362 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661972685 411928859 /nfs/dbraw/zinc/92/88/59/411928859.db2.gz JUYYFOOQDHYFAW-IUCAKERBSA-N 1 2 248.334 0.362 20 0 BCADLO Cc1c(CC(=O)Nc2ccc(N)[nH+]c2)cnn1C ZINC000637829774 411935013 /nfs/dbraw/zinc/93/50/13/411935013.db2.gz PHXVHJBTFZFQON-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO Cc1oncc1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000372589738 411940201 /nfs/dbraw/zinc/94/02/01/411940201.db2.gz DLGVQOKEGDTOKV-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1oncc1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000372589738 411940204 /nfs/dbraw/zinc/94/02/04/411940204.db2.gz DLGVQOKEGDTOKV-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1nc(NC[C@@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631075249 411943768 /nfs/dbraw/zinc/94/37/68/411943768.db2.gz ADVXZADMZZOJJV-SECBINFHSA-N 1 2 219.292 0.952 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC=CCC2)[nH+]1 ZINC000631075249 411943773 /nfs/dbraw/zinc/94/37/73/411943773.db2.gz ADVXZADMZZOJJV-SECBINFHSA-N 1 2 219.292 0.952 20 0 BCADLO CSC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000389363650 411870685 /nfs/dbraw/zinc/87/06/85/411870685.db2.gz RLUDPKSDYIJSID-UHFFFAOYSA-N 1 2 225.321 0.492 20 0 BCADLO CSC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000389363650 411870690 /nfs/dbraw/zinc/87/06/90/411870690.db2.gz RLUDPKSDYIJSID-UHFFFAOYSA-N 1 2 225.321 0.492 20 0 BCADLO CSCC[N@H+](C)Cc1nccc(N)n1 ZINC000336699556 411871424 /nfs/dbraw/zinc/87/14/24/411871424.db2.gz WPMRWZXZNGKYMZ-UHFFFAOYSA-N 1 2 212.322 0.854 20 0 BCADLO CSCC[N@@H+](C)Cc1nccc(N)n1 ZINC000336699556 411871429 /nfs/dbraw/zinc/87/14/29/411871429.db2.gz WPMRWZXZNGKYMZ-UHFFFAOYSA-N 1 2 212.322 0.854 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1nccc(N)n1 ZINC000532745944 411874691 /nfs/dbraw/zinc/87/46/91/411874691.db2.gz RVWNZQNXQLPSPJ-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1nccc(N)n1 ZINC000532745944 411874695 /nfs/dbraw/zinc/87/46/95/411874695.db2.gz RVWNZQNXQLPSPJ-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)c1cnn(C)c1 ZINC000582490686 411877781 /nfs/dbraw/zinc/87/77/81/411877781.db2.gz CFKMMTFCESFWPL-MRVPVSSYSA-N 1 2 245.286 1.140 20 0 BCADLO Cc1nc(N2CC[C@@]3(C2)CCCOC3)nc(N)[nH+]1 ZINC000631266483 411964921 /nfs/dbraw/zinc/96/49/21/411964921.db2.gz KIRZMRRAECBISQ-GFCCVEGCSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@]3(C2)CCCOC3)[nH+]1 ZINC000631266483 411964925 /nfs/dbraw/zinc/96/49/25/411964925.db2.gz KIRZMRRAECBISQ-GFCCVEGCSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N[C@H]2CS[C@H](C)C2)nc(N)[nH+]1 ZINC000397902612 411966927 /nfs/dbraw/zinc/96/69/27/411966927.db2.gz UKHBCOCMYCLNDJ-IYSWYEEDSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CS[C@H](C)C2)[nH+]1 ZINC000397902612 411966931 /nfs/dbraw/zinc/96/69/31/411966931.db2.gz UKHBCOCMYCLNDJ-IYSWYEEDSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N[C@H]2CSC[C@@H]2C)nc(N)[nH+]1 ZINC000397908837 411968423 /nfs/dbraw/zinc/96/84/23/411968423.db2.gz XHULQHGYOFJFNH-FSPLSTOPSA-N 1 2 225.321 0.926 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CSC[C@@H]2C)[nH+]1 ZINC000397908837 411968425 /nfs/dbraw/zinc/96/84/25/411968425.db2.gz XHULQHGYOFJFNH-FSPLSTOPSA-N 1 2 225.321 0.926 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC2(COC2)C1 ZINC000662074033 411975523 /nfs/dbraw/zinc/97/55/23/411975523.db2.gz OOAHEQWJFAVPDA-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CCC2(COC2)C1 ZINC000662074033 411975526 /nfs/dbraw/zinc/97/55/26/411975526.db2.gz OOAHEQWJFAVPDA-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C)nc1N ZINC000611794301 411982113 /nfs/dbraw/zinc/98/21/13/411982113.db2.gz HVGYADWQZNIKEK-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]c[nH]2)c(N)n1 ZINC000622384985 411984248 /nfs/dbraw/zinc/98/42/48/411984248.db2.gz ZEAXGWXDYAOWSK-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH]c[nH+]2)c(N)n1 ZINC000622384985 411984249 /nfs/dbraw/zinc/98/42/49/411984249.db2.gz ZEAXGWXDYAOWSK-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO Cc1nc(N)c(CNC(=O)COC(F)F)c[nH+]1 ZINC000577873877 411984604 /nfs/dbraw/zinc/98/46/04/411984604.db2.gz NQHXJLBFSOYHAJ-UHFFFAOYSA-N 1 2 246.217 0.223 20 0 BCADLO c1nc(N2CCC3(COC3)C2)c2c([nH+]1)NCCO2 ZINC000664572638 411990343 /nfs/dbraw/zinc/99/03/43/411990343.db2.gz MRPSPZQJGXOARL-UHFFFAOYSA-N 1 2 248.286 0.508 20 0 BCADLO c1nc2c(c(N3CCC4(COC4)C3)[nH+]1)OCCN2 ZINC000664572638 411990348 /nfs/dbraw/zinc/99/03/48/411990348.db2.gz MRPSPZQJGXOARL-UHFFFAOYSA-N 1 2 248.286 0.508 20 0 BCADLO c1[nH]c(CN2CCc3nccnc3C2)c[nH+]1 ZINC000662120851 411992082 /nfs/dbraw/zinc/99/20/82/411992082.db2.gz JKTWPSIAEVNMLM-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO c1[nH]cc(CN2CCc3nccnc3C2)[nH+]1 ZINC000662120851 411992083 /nfs/dbraw/zinc/99/20/83/411992083.db2.gz JKTWPSIAEVNMLM-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO COCCOCC[N@@H+]1CCc2nccnc2C1 ZINC000662120336 411992175 /nfs/dbraw/zinc/99/21/75/411992175.db2.gz CGBCRGFTNWTSRO-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO COCCOCC[N@H+]1CCc2nccnc2C1 ZINC000662120336 411992177 /nfs/dbraw/zinc/99/21/77/411992177.db2.gz CGBCRGFTNWTSRO-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO O[C@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000664642374 412003567 /nfs/dbraw/zinc/00/35/67/412003567.db2.gz IJFODSOUOIXPRX-KYZUINATSA-N 1 2 220.276 0.986 20 0 BCADLO O[C@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000664642374 412003570 /nfs/dbraw/zinc/00/35/70/412003570.db2.gz IJFODSOUOIXPRX-KYZUINATSA-N 1 2 220.276 0.986 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@@]1(C)CO ZINC000662142520 412004083 /nfs/dbraw/zinc/00/40/83/412004083.db2.gz KBZBFQBDEGHEOZ-SCZZXKLOSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@@]1(C)CO ZINC000662142520 412004085 /nfs/dbraw/zinc/00/40/85/412004085.db2.gz KBZBFQBDEGHEOZ-SCZZXKLOSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(N)=O ZINC000662160981 412012609 /nfs/dbraw/zinc/01/26/09/412012609.db2.gz KMCADACPLXEAHY-WKEGUHRASA-N 1 2 244.241 0.462 20 0 BCADLO Cc1nc(NC[C@@H](O)CC(C)(C)C)nc(N)[nH+]1 ZINC000383573835 411943970 /nfs/dbraw/zinc/94/39/70/411943970.db2.gz KOGRUMITELBFBM-QMMMGPOBSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)CC(C)(C)C)[nH+]1 ZINC000383573835 411943975 /nfs/dbraw/zinc/94/39/75/411943975.db2.gz KOGRUMITELBFBM-QMMMGPOBSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(NC[C@H](C)CC(F)F)nc(N)[nH+]1 ZINC000631324064 411944062 /nfs/dbraw/zinc/94/40/62/411944062.db2.gz JQWWPXBFWJIEQB-RXMQYKEDSA-N 1 2 231.250 0.887 20 0 BCADLO Cc1nc(N)nc(NC[C@H](C)CC(F)F)[nH+]1 ZINC000631324064 411944065 /nfs/dbraw/zinc/94/40/65/411944065.db2.gz JQWWPXBFWJIEQB-RXMQYKEDSA-N 1 2 231.250 0.887 20 0 BCADLO Cc1nc(NCCC[C@H]2CCOC2)nc(N)[nH+]1 ZINC000401341106 411944399 /nfs/dbraw/zinc/94/43/99/411944399.db2.gz RZDLEZXIHVWMDV-VIFPVBQESA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N)nc(NCCC[C@H]2CCOC2)[nH+]1 ZINC000401341106 411944406 /nfs/dbraw/zinc/94/44/06/411944406.db2.gz RZDLEZXIHVWMDV-VIFPVBQESA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(NC[C@@H]2CCCSC2)nc(N)[nH+]1 ZINC000384095172 411944702 /nfs/dbraw/zinc/94/47/02/411944702.db2.gz CXKGQZSYBRLFSW-QMMMGPOBSA-N 1 2 239.348 0.739 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCSC2)[nH+]1 ZINC000384095172 411944706 /nfs/dbraw/zinc/94/47/06/411944706.db2.gz CXKGQZSYBRLFSW-QMMMGPOBSA-N 1 2 239.348 0.739 20 0 BCADLO Cc1nc(NC[C@H]2CCC[C@H](C)O2)nc(N)[nH+]1 ZINC000631368261 411945210 /nfs/dbraw/zinc/94/52/10/411945210.db2.gz AOXDBKGIDXXIDG-IONNQARKSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC[C@H](C)O2)[nH+]1 ZINC000631368261 411945214 /nfs/dbraw/zinc/94/52/14/411945214.db2.gz AOXDBKGIDXXIDG-IONNQARKSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(NCc2ccccc2CO)nc(N)[nH+]1 ZINC000631070056 411945402 /nfs/dbraw/zinc/94/54/02/411945402.db2.gz LCKIEZIUVVLORC-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO Cc1nc(N)nc(NCc2ccccc2CO)[nH+]1 ZINC000631070056 411945404 /nfs/dbraw/zinc/94/54/04/411945404.db2.gz LCKIEZIUVVLORC-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO Cc1nc(N(C)Cc2ccco2)nc(N)[nH+]1 ZINC000631043737 411945415 /nfs/dbraw/zinc/94/54/15/411945415.db2.gz YCIKJBYUEOGGKW-UHFFFAOYSA-N 1 2 219.248 0.992 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2ccco2)[nH+]1 ZINC000631043737 411945420 /nfs/dbraw/zinc/94/54/20/411945420.db2.gz YCIKJBYUEOGGKW-UHFFFAOYSA-N 1 2 219.248 0.992 20 0 BCADLO Cc1nc(N[C@@H](C)c2ccn(C)n2)nc(N)[nH+]1 ZINC000631302329 411946235 /nfs/dbraw/zinc/94/62/35/411946235.db2.gz ZQZNALDZDMKXJA-LURJTMIESA-N 1 2 233.279 0.091 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2ccn(C)n2)[nH+]1 ZINC000631302329 411946242 /nfs/dbraw/zinc/94/62/42/411946242.db2.gz ZQZNALDZDMKXJA-LURJTMIESA-N 1 2 233.279 0.091 20 0 BCADLO Cc1nc(N[C@@H](C)c2cncc(F)c2)nc(N)[nH+]1 ZINC000631202716 411947784 /nfs/dbraw/zinc/94/77/84/411947784.db2.gz BTJVTCUGWQAOHA-LURJTMIESA-N 1 2 248.265 0.891 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2cncc(F)c2)[nH+]1 ZINC000631202716 411947788 /nfs/dbraw/zinc/94/77/88/411947788.db2.gz BTJVTCUGWQAOHA-LURJTMIESA-N 1 2 248.265 0.891 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033752 411950757 /nfs/dbraw/zinc/95/07/57/411950757.db2.gz LBKFXVHRKGCACM-NXEZZACHSA-N 1 2 222.292 0.316 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033752 411950758 /nfs/dbraw/zinc/95/07/58/411950758.db2.gz LBKFXVHRKGCACM-NXEZZACHSA-N 1 2 222.292 0.316 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662038798 411954795 /nfs/dbraw/zinc/95/47/95/411954795.db2.gz XCJGPIPEQPEPLN-VHSXEESVSA-N 1 2 236.319 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662038798 411954798 /nfs/dbraw/zinc/95/47/98/411954798.db2.gz XCJGPIPEQPEPLN-VHSXEESVSA-N 1 2 236.319 0.835 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000364021577 411956841 /nfs/dbraw/zinc/95/68/41/411956841.db2.gz FVWMCZXLIKQEST-ZETCQYMHSA-N 1 2 242.229 0.600 20 0 BCADLO Cc1cc(N)nc(SC[C@H]2COC(=O)N2)[nH+]1 ZINC000496136566 411958317 /nfs/dbraw/zinc/95/83/17/411958317.db2.gz HMAPKRDBLACEFD-ZCFIWIBFSA-N 1 2 240.288 0.568 20 0 BCADLO Cn1nccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338427070 411960595 /nfs/dbraw/zinc/96/05/95/411960595.db2.gz SNFOARLBRACWDL-UHFFFAOYSA-N 1 2 246.274 0.719 20 0 BCADLO Cc1nc(N2CCC[C@@H]2[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000631266463 411960903 /nfs/dbraw/zinc/96/09/03/411960903.db2.gz JRKZQCAPOZZDLX-ZJUUUORDSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2[C@@H]2CCCO2)[nH+]1 ZINC000631266463 411960909 /nfs/dbraw/zinc/96/09/09/411960909.db2.gz JRKZQCAPOZZDLX-ZJUUUORDSA-N 1 2 249.318 0.910 20 0 BCADLO C[C@@H](NC(=O)c1ncnn1C)c1[nH+]ccn1C ZINC000664454047 411960943 /nfs/dbraw/zinc/96/09/43/411960943.db2.gz AXNPXQDHVUSWKL-SSDOTTSWSA-N 1 2 234.263 0.040 20 0 BCADLO Cc1nc(N2CCC3(CC3)C2)nc(N)[nH+]1 ZINC000400040440 411961717 /nfs/dbraw/zinc/96/17/17/411961717.db2.gz MXRCXWZBFFNYGW-UHFFFAOYSA-N 1 2 205.265 0.753 20 0 BCADLO Cc1nc(N)nc(N2CCC3(CC3)C2)[nH+]1 ZINC000400040440 411961720 /nfs/dbraw/zinc/96/17/20/411961720.db2.gz MXRCXWZBFFNYGW-UHFFFAOYSA-N 1 2 205.265 0.753 20 0 BCADLO CCc1cc(NC[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000664459617 411962955 /nfs/dbraw/zinc/96/29/55/411962955.db2.gz AEIGESPBAFROFY-SECBINFHSA-N 1 2 234.303 0.929 20 0 BCADLO Cc1nc(N2CC[C@H]([C@H]3CCOC3)C2)nc(N)[nH+]1 ZINC000631177201 411963389 /nfs/dbraw/zinc/96/33/89/411963389.db2.gz IENGJULIWUXKIZ-UWVGGRQHSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000631177201 411963392 /nfs/dbraw/zinc/96/33/92/411963392.db2.gz IENGJULIWUXKIZ-UWVGGRQHSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nnc(C[N@H+](C)CCc2cn[nH]n2)s1 ZINC000662257681 412052069 /nfs/dbraw/zinc/05/20/69/412052069.db2.gz ULVVICZEUMCTDG-UHFFFAOYSA-N 1 2 238.320 0.639 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCc2cn[nH]n2)s1 ZINC000662257681 412052072 /nfs/dbraw/zinc/05/20/72/412052072.db2.gz ULVVICZEUMCTDG-UHFFFAOYSA-N 1 2 238.320 0.639 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NC/C=C/CO ZINC000664996104 412057104 /nfs/dbraw/zinc/05/71/04/412057104.db2.gz KUQSRLHKOPKOEE-ONEGZZNKSA-N 1 2 238.291 0.251 20 0 BCADLO CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299558951 171063195 /nfs/dbraw/zinc/06/31/95/171063195.db2.gz FLNSGBMXXUANLM-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CC[C@@H]1C[N@H+](CCNc2ncccn2)CCO1 ZINC000362652642 171080252 /nfs/dbraw/zinc/08/02/52/171080252.db2.gz AIGBTNMYBHJIDE-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNc2ncccn2)CCO1 ZINC000362652642 171080256 /nfs/dbraw/zinc/08/02/56/171080256.db2.gz AIGBTNMYBHJIDE-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2noc(C)n2)C[C@H]1O ZINC000341041164 171094138 /nfs/dbraw/zinc/09/41/38/171094138.db2.gz GCNKOMUKPOULQE-RKDXNWHRSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2noc(C)n2)C[C@H]1O ZINC000341041164 171094142 /nfs/dbraw/zinc/09/41/42/171094142.db2.gz GCNKOMUKPOULQE-RKDXNWHRSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@@H]1C[C@H]1N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359497081 171133349 /nfs/dbraw/zinc/13/33/49/171133349.db2.gz OCJGDCOLEVPVND-SZEHBUNVSA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1C[C@H]1N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359497081 171133352 /nfs/dbraw/zinc/13/33/52/171133352.db2.gz OCJGDCOLEVPVND-SZEHBUNVSA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@](C)([NH2+]CCn1cncn1)C(=O)OC ZINC000293321708 171176281 /nfs/dbraw/zinc/17/62/81/171176281.db2.gz WGIQSTWLGAODAI-SNVBAGLBSA-N 1 2 226.280 0.209 20 0 BCADLO CC[C@@](C)([NH2+]CCc1ccnn1C)C(=O)OC ZINC000293110095 171176597 /nfs/dbraw/zinc/17/65/97/171176597.db2.gz JTTDWACCRJOFDP-GFCCVEGCSA-N 1 2 239.319 0.894 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)COC)CC1 ZINC000330465127 171220189 /nfs/dbraw/zinc/22/01/89/171220189.db2.gz VOOCHUYCOYQDFX-SECBINFHSA-N 1 2 243.307 0.091 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338630400 171241359 /nfs/dbraw/zinc/24/13/59/171241359.db2.gz JCLZQPNLGXLKTA-SCZZXKLOSA-N 1 2 219.256 0.344 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338630400 171241361 /nfs/dbraw/zinc/24/13/61/171241361.db2.gz JCLZQPNLGXLKTA-SCZZXKLOSA-N 1 2 219.256 0.344 20 0 BCADLO CC[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378113669 171248344 /nfs/dbraw/zinc/24/83/44/171248344.db2.gz JMEZPVZDGLYWAQ-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000336747443 171292546 /nfs/dbraw/zinc/29/25/46/171292546.db2.gz SCUYPZMWTBHCNY-ZETCQYMHSA-N 1 2 244.307 0.546 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661925 171324118 /nfs/dbraw/zinc/32/41/18/171324118.db2.gz VQCLCFFABDHFNT-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661925 171324121 /nfs/dbraw/zinc/32/41/21/171324121.db2.gz VQCLCFFABDHFNT-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047576883 171329861 /nfs/dbraw/zinc/32/98/61/171329861.db2.gz OIPOMJRXHPISMR-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338597003 171332283 /nfs/dbraw/zinc/33/22/83/171332283.db2.gz XAUJEPKJMGJICT-HOSYDEDBSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338597003 171332285 /nfs/dbraw/zinc/33/22/85/171332285.db2.gz XAUJEPKJMGJICT-HOSYDEDBSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000112344436 171332545 /nfs/dbraw/zinc/33/25/45/171332545.db2.gz OEARFRIKRUFRKN-VHSXEESVSA-N 1 2 238.335 0.813 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280660525 171333209 /nfs/dbraw/zinc/33/32/09/171333209.db2.gz AJVOCEGYEOKGNX-GXSJLCMTSA-N 1 2 238.335 0.938 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340223814 171333751 /nfs/dbraw/zinc/33/37/51/171333751.db2.gz ZJTLBAVEGACHBI-LPEHRKFASA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340223814 171333753 /nfs/dbraw/zinc/33/37/53/171333753.db2.gz ZJTLBAVEGACHBI-LPEHRKFASA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000112344439 171334705 /nfs/dbraw/zinc/33/47/05/171334705.db2.gz OEARFRIKRUFRKN-UWVGGRQHSA-N 1 2 238.335 0.813 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1[nH]cc[nH+]1 ZINC000131155514 171353789 /nfs/dbraw/zinc/35/37/89/171353789.db2.gz QNMBQSIUWBMUIW-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCOCCO)C(=O)OC ZINC000309993725 171375046 /nfs/dbraw/zinc/37/50/46/171375046.db2.gz BQRGEISTZISNFJ-VHSXEESVSA-N 1 2 233.308 0.173 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000279358742 171376726 /nfs/dbraw/zinc/37/67/26/171376726.db2.gz KCFNQJWGTBERFO-KWQFWETISA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000279358742 171376728 /nfs/dbraw/zinc/37/67/28/171376728.db2.gz KCFNQJWGTBERFO-KWQFWETISA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000305870843 171383770 /nfs/dbraw/zinc/38/37/70/171383770.db2.gz OKNMXMBLLCJCAJ-RYUDHWBXSA-N 1 2 242.363 0.805 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@](C)(C(F)F)O1 ZINC000662362091 412122959 /nfs/dbraw/zinc/12/29/59/412122959.db2.gz FLZRYOPQVJLCLE-XLDPMVHQSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@](C)(C(F)F)O1 ZINC000662362091 412122964 /nfs/dbraw/zinc/12/29/64/412122964.db2.gz FLZRYOPQVJLCLE-XLDPMVHQSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662360824 412123862 /nfs/dbraw/zinc/12/38/62/412123862.db2.gz SPLBNFPTYILQPP-MATHAZKKSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662360824 412123867 /nfs/dbraw/zinc/12/38/67/412123867.db2.gz SPLBNFPTYILQPP-MATHAZKKSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662372682 412129435 /nfs/dbraw/zinc/12/94/35/412129435.db2.gz VUINIXQBXWOJJV-KCJUWKMLSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662372682 412129438 /nfs/dbraw/zinc/12/94/38/412129438.db2.gz VUINIXQBXWOJJV-KCJUWKMLSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662372683 412130372 /nfs/dbraw/zinc/13/03/72/412130372.db2.gz VUINIXQBXWOJJV-KWQFWETISA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662372683 412130375 /nfs/dbraw/zinc/13/03/75/412130375.db2.gz VUINIXQBXWOJJV-KWQFWETISA-N 1 2 248.273 0.621 20 0 BCADLO [NH3+]C1(CC(=O)Nc2ccc3nn[nH]c3c2)CC1 ZINC000662467677 412184404 /nfs/dbraw/zinc/18/44/04/412184404.db2.gz XTJJRQCFLDBLJC-UHFFFAOYSA-N 1 2 231.259 0.778 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000336735949 412197221 /nfs/dbraw/zinc/19/72/21/412197221.db2.gz IKUGTBRBTRNVNB-SSDOTTSWSA-N 1 2 220.276 1.030 20 0 BCADLO C[C@H](CCO)CNc1[nH+]cnc2c1OCCN2 ZINC000647870348 412198006 /nfs/dbraw/zinc/19/80/06/412198006.db2.gz PDHSVEDWUZWKHK-MRVPVSSYSA-N 1 2 238.291 0.711 20 0 BCADLO C[C@H](CCO)CNc1nc[nH+]c2c1OCCN2 ZINC000647870348 412198008 /nfs/dbraw/zinc/19/80/08/412198008.db2.gz PDHSVEDWUZWKHK-MRVPVSSYSA-N 1 2 238.291 0.711 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000645218202 412165802 /nfs/dbraw/zinc/16/58/02/412165802.db2.gz WZLFMPBRUKXDIT-JGVFFNPUSA-N 1 2 209.249 0.953 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccon1 ZINC000645218202 412165806 /nfs/dbraw/zinc/16/58/06/412165806.db2.gz WZLFMPBRUKXDIT-JGVFFNPUSA-N 1 2 209.249 0.953 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)C(=O)OC ZINC000310013042 171548364 /nfs/dbraw/zinc/54/83/64/171548364.db2.gz JMFYNWBNYAVHQZ-UWVGGRQHSA-N 1 2 228.292 0.148 20 0 BCADLO CNC(=O)C(C)(C)CNc1nc(C)[nH+]cc1C ZINC000572060456 412261017 /nfs/dbraw/zinc/26/10/17/412261017.db2.gz WWGIOIPAVKVQHR-UHFFFAOYSA-N 1 2 236.319 1.278 20 0 BCADLO N#Cc1ccc(NCCCCn2cc[nH+]c2)nn1 ZINC000396885602 412271020 /nfs/dbraw/zinc/27/10/20/412271020.db2.gz LNLWJNBIUXYPOA-UHFFFAOYSA-N 1 2 242.286 1.437 20 0 BCADLO CNC(=O)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000488778399 412285763 /nfs/dbraw/zinc/28/57/63/412285763.db2.gz HPYJNXDPSJBSEF-LURJTMIESA-N 1 2 233.275 0.813 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccon1 ZINC000330871670 412236067 /nfs/dbraw/zinc/23/60/67/412236067.db2.gz CDIDKTWADKPIJQ-UHFFFAOYSA-N 1 2 235.247 1.072 20 0 BCADLO C[C@H](O)CNc1cc(NCC[C@H](C)F)[nH+]cn1 ZINC000413290219 412249972 /nfs/dbraw/zinc/24/99/72/412249972.db2.gz BKJOWDFBRVWETF-IUCAKERBSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@H](O)CNc1cc(NCC[C@H](C)F)nc[nH+]1 ZINC000413290219 412249977 /nfs/dbraw/zinc/24/99/77/412249977.db2.gz BKJOWDFBRVWETF-IUCAKERBSA-N 1 2 242.298 1.429 20 0 BCADLO CC(C)c1nc(NCCn2ncnn2)cc[nH+]1 ZINC000433432517 412323267 /nfs/dbraw/zinc/32/32/67/412323267.db2.gz HRZKFVCOWRFZBF-UHFFFAOYSA-N 1 2 233.279 0.699 20 0 BCADLO CC(C)c1nc(NCc2cnnn2C)cc[nH+]1 ZINC000340969673 412323507 /nfs/dbraw/zinc/32/35/07/412323507.db2.gz LYRMSEUYYSAANU-UHFFFAOYSA-N 1 2 232.291 1.341 20 0 BCADLO CC(C)c1nc(N[C@H](C)C(=O)N(C)C)cc[nH+]1 ZINC000357633555 412324364 /nfs/dbraw/zinc/32/43/64/412324364.db2.gz BSOKWYSHTYABBD-SECBINFHSA-N 1 2 236.319 1.489 20 0 BCADLO CC(C)c1nc(N[C@@H](C)CC(N)=O)cc[nH+]1 ZINC000336729835 412324387 /nfs/dbraw/zinc/32/43/87/412324387.db2.gz DHAXAYUSNGHRQV-QMMMGPOBSA-N 1 2 222.292 1.276 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccon1 ZINC000565685138 412326256 /nfs/dbraw/zinc/32/62/56/412326256.db2.gz XLVJSOUOLQDWQK-UHFFFAOYSA-N 1 2 249.274 1.473 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCCOCC2)no1 ZINC000363437486 412346239 /nfs/dbraw/zinc/34/62/39/412346239.db2.gz ZOIQWFDSNBWICL-UHFFFAOYSA-N 1 2 239.275 0.644 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCCOCC2)no1 ZINC000363437486 412346243 /nfs/dbraw/zinc/34/62/43/412346243.db2.gz ZOIQWFDSNBWICL-UHFFFAOYSA-N 1 2 239.275 0.644 20 0 BCADLO Cc1cc(NC(=O)COc2cc[nH+]cc2)no1 ZINC000356092483 412354209 /nfs/dbraw/zinc/35/42/09/412354209.db2.gz JUEPUMMBFKBFQL-UHFFFAOYSA-N 1 2 233.227 1.396 20 0 BCADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000563333983 412359813 /nfs/dbraw/zinc/35/98/13/412359813.db2.gz HTVXHHKTNQXXAH-VIFPVBQESA-N 1 2 233.275 1.504 20 0 BCADLO Cc1c[nH]nc1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000336356995 412299253 /nfs/dbraw/zinc/29/92/53/412299253.db2.gz PVVAYMPPZCQOME-UHFFFAOYSA-N 1 2 231.259 1.487 20 0 BCADLO CCc1nn(C)cc1NC(=O)Cn1cc[nH+]c1 ZINC000359000566 172041215 /nfs/dbraw/zinc/04/12/15/172041215.db2.gz ZZDRMSGGIAIQQN-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO CCc1nnc(C[N@@H+](CC)[C@@H](C)CO)o1 ZINC000339625966 172047862 /nfs/dbraw/zinc/04/78/62/172047862.db2.gz DZDOVUICEFQCRR-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@H+](CC)[C@@H](C)CO)o1 ZINC000339625966 172047863 /nfs/dbraw/zinc/04/78/63/172047863.db2.gz DZDOVUICEFQCRR-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)o1 ZINC000107821213 172049551 /nfs/dbraw/zinc/04/95/51/172049551.db2.gz SZZJMWQTZCTKJG-MRVPVSSYSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C(=O)OC)C2)o1 ZINC000107821213 172049554 /nfs/dbraw/zinc/04/95/54/172049554.db2.gz SZZJMWQTZCTKJG-MRVPVSSYSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000332680367 172049587 /nfs/dbraw/zinc/04/95/87/172049587.db2.gz JRDBCZUFULKVAG-IUCAKERBSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000332680367 172049589 /nfs/dbraw/zinc/04/95/89/172049589.db2.gz JRDBCZUFULKVAG-IUCAKERBSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C(=O)OC)C2)o1 ZINC000107821205 172050498 /nfs/dbraw/zinc/05/04/98/172050498.db2.gz SZZJMWQTZCTKJG-QMMMGPOBSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C(=O)OC)C2)o1 ZINC000107821205 172050499 /nfs/dbraw/zinc/05/04/99/172050499.db2.gz SZZJMWQTZCTKJG-QMMMGPOBSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)C2)o1 ZINC000336653049 172050606 /nfs/dbraw/zinc/05/06/06/172050606.db2.gz XNRNRHIBJVXINK-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)C2)o1 ZINC000336653049 172050608 /nfs/dbraw/zinc/05/06/08/172050608.db2.gz XNRNRHIBJVXINK-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000332680369 172050676 /nfs/dbraw/zinc/05/06/76/172050676.db2.gz JRDBCZUFULKVAG-RKDXNWHRSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000332680369 172050679 /nfs/dbraw/zinc/05/06/79/172050679.db2.gz JRDBCZUFULKVAG-RKDXNWHRSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1noc(C)c1C[N@H+](C)CC(=O)NC ZINC000268139067 172074931 /nfs/dbraw/zinc/07/49/31/172074931.db2.gz DYEZJMDHESNOOK-UHFFFAOYSA-N 1 2 225.292 0.723 20 0 BCADLO CCc1noc(C)c1C[N@@H+](C)CC(=O)NC ZINC000268139067 172074935 /nfs/dbraw/zinc/07/49/35/172074935.db2.gz DYEZJMDHESNOOK-UHFFFAOYSA-N 1 2 225.292 0.723 20 0 BCADLO CCc1noc(C)c1C[N@@H+]1CCNC(=O)CC1 ZINC000163464681 172077570 /nfs/dbraw/zinc/07/75/70/172077570.db2.gz UYIQPRIVSCTFTM-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1noc(C)c1C[N@H+]1CCNC(=O)CC1 ZINC000163464681 172077573 /nfs/dbraw/zinc/07/75/73/172077573.db2.gz UYIQPRIVSCTFTM-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1nocc1C[N@H+](CC)CC(N)=O ZINC000353157787 172094681 /nfs/dbraw/zinc/09/46/81/172094681.db2.gz WOHSSBUGVHWEDD-UHFFFAOYSA-N 1 2 211.265 0.544 20 0 BCADLO CCc1nocc1C[N@@H+](CC)CC(N)=O ZINC000353157787 172094684 /nfs/dbraw/zinc/09/46/84/172094684.db2.gz WOHSSBUGVHWEDD-UHFFFAOYSA-N 1 2 211.265 0.544 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000339609081 172095231 /nfs/dbraw/zinc/09/52/31/172095231.db2.gz VMLAWILUDBKZQQ-MNOVXSKESA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000339609081 172095232 /nfs/dbraw/zinc/09/52/32/172095232.db2.gz VMLAWILUDBKZQQ-MNOVXSKESA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H]1CCCNC1=O ZINC000339608306 172095374 /nfs/dbraw/zinc/09/53/74/172095374.db2.gz GWPZXRGPCSSWJQ-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H]1CCCNC1=O ZINC000339608306 172095377 /nfs/dbraw/zinc/09/53/77/172095377.db2.gz GWPZXRGPCSSWJQ-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000339608305 172096810 /nfs/dbraw/zinc/09/68/10/172096810.db2.gz GWPZXRGPCSSWJQ-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000339608305 172096813 /nfs/dbraw/zinc/09/68/13/172096813.db2.gz GWPZXRGPCSSWJQ-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)C[C@H](C)O ZINC000304271077 172138590 /nfs/dbraw/zinc/13/85/90/172138590.db2.gz FDDXSIRVAGABCP-QMMMGPOBSA-N 1 2 212.297 0.419 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)C[C@H](C)O ZINC000304271077 172138592 /nfs/dbraw/zinc/13/85/92/172138592.db2.gz FDDXSIRVAGABCP-QMMMGPOBSA-N 1 2 212.297 0.419 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332740243 172139066 /nfs/dbraw/zinc/13/90/66/172139066.db2.gz YTJLFWVGSFQGLV-SCZZXKLOSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332740243 172139067 /nfs/dbraw/zinc/13/90/67/172139067.db2.gz YTJLFWVGSFQGLV-SCZZXKLOSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)CC1(CO)CC1 ZINC000186772911 172139935 /nfs/dbraw/zinc/13/99/35/172139935.db2.gz DFFZDUKBKMRPIF-UHFFFAOYSA-N 1 2 238.335 0.811 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186772911 172139937 /nfs/dbraw/zinc/13/99/37/172139937.db2.gz DFFZDUKBKMRPIF-UHFFFAOYSA-N 1 2 238.335 0.811 20 0 BCADLO CCn1cc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000093101549 172164028 /nfs/dbraw/zinc/16/40/28/172164028.db2.gz CCIZSDQUJKRFJB-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCn1cc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000093101549 172164029 /nfs/dbraw/zinc/16/40/29/172164029.db2.gz CCIZSDQUJKRFJB-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3nc(C)nc3C2)cn1 ZINC000271168799 172165682 /nfs/dbraw/zinc/16/56/82/172165682.db2.gz HAKZSKUJAKJGEX-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc(C[N@H+]2CCn3nc(C)nc3C2)cn1 ZINC000271168799 172165683 /nfs/dbraw/zinc/16/56/83/172165683.db2.gz HAKZSKUJAKJGEX-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc(C[NH2+]CN2CCC(=O)CC2)cn1 ZINC000275877930 172169592 /nfs/dbraw/zinc/16/95/92/172169592.db2.gz ZTPSTFIDGQDSDK-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CCn1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000035781306 172182676 /nfs/dbraw/zinc/18/26/76/172182676.db2.gz FHFPYWWIDBOFGB-QMMMGPOBSA-N 1 2 226.305 0.504 20 0 BCADLO CCn1ccnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362438683 172212793 /nfs/dbraw/zinc/21/27/93/172212793.db2.gz HJISYBSSELCAET-UHFFFAOYSA-N 1 2 247.302 0.909 20 0 BCADLO CCn1ccnc1C(=O)N1CC[NH+](C)CC1 ZINC000279304893 172214844 /nfs/dbraw/zinc/21/48/44/172214844.db2.gz ZUAZBXHNBFADSE-UHFFFAOYSA-N 1 2 222.292 0.291 20 0 BCADLO CCn1ccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000279245825 172216778 /nfs/dbraw/zinc/21/67/78/172216778.db2.gz RAUGZRCVHYQFEO-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(C2CC2)C(=O)C1 ZINC000336689009 172220203 /nfs/dbraw/zinc/22/02/03/172220203.db2.gz BIFSMNFZRUNXIO-UHFFFAOYSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1ccnc1C[N@H+](CCO)CCCO ZINC000353611316 172220443 /nfs/dbraw/zinc/22/04/43/172220443.db2.gz CAYGMEGFLQTSGN-UHFFFAOYSA-N 1 2 227.308 0.080 20 0 BCADLO CCn1ccnc1C[N@@H+](CCO)CCCO ZINC000353611316 172220445 /nfs/dbraw/zinc/22/04/45/172220445.db2.gz CAYGMEGFLQTSGN-UHFFFAOYSA-N 1 2 227.308 0.080 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@H]2C[C@H]21 ZINC000368326180 172220504 /nfs/dbraw/zinc/22/05/04/172220504.db2.gz CJKILGUZYNUVJV-ZJUUUORDSA-N 1 2 207.277 0.876 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ncccc1O ZINC000295727523 172222751 /nfs/dbraw/zinc/22/27/51/172222751.db2.gz LERZQGYHPHKBAK-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO CCn1nccc1C[N@H+](C)CC(=O)N1CCC1 ZINC000340201478 172262885 /nfs/dbraw/zinc/26/28/85/172262885.db2.gz IZSZAQNGBKQXLK-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1nccc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000340201478 172262887 /nfs/dbraw/zinc/26/28/87/172262887.db2.gz IZSZAQNGBKQXLK-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1nccc1C[N@H+](C)CC(=O)NC(C)C ZINC000179726216 172263544 /nfs/dbraw/zinc/26/35/44/172263544.db2.gz CXHQQELHZOKMPK-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1nccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000179726216 172263548 /nfs/dbraw/zinc/26/35/48/172263548.db2.gz CXHQQELHZOKMPK-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H](C)C(N)=O ZINC000352342165 172263939 /nfs/dbraw/zinc/26/39/39/172263939.db2.gz OTFPFCSPOSTWSJ-MRVPVSSYSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000352342165 172263940 /nfs/dbraw/zinc/26/39/40/172263940.db2.gz OTFPFCSPOSTWSJ-MRVPVSSYSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1nccc1C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000179354541 172267417 /nfs/dbraw/zinc/26/74/17/172267417.db2.gz IFKDVRAPPRCVNE-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@H+]1CCC[C@H]1C(=O)NC ZINC000179354541 172267418 /nfs/dbraw/zinc/26/74/18/172267418.db2.gz IFKDVRAPPRCVNE-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+]1CCn2ncnc2C1 ZINC000329953588 172269683 /nfs/dbraw/zinc/26/96/83/172269683.db2.gz JMJZHLMZNBPRDZ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1nccc1C[N@H+]1CCn2ncnc2C1 ZINC000329953588 172269686 /nfs/dbraw/zinc/26/96/86/172269686.db2.gz JMJZHLMZNBPRDZ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1nccc1CNCC[N@H+](C)CCOC ZINC000119028704 172271127 /nfs/dbraw/zinc/27/11/27/172271127.db2.gz SUKCPVDPVKZLPU-UHFFFAOYSA-N 1 2 240.351 0.571 20 0 BCADLO CCn1nccc1CNCC[N@@H+](C)CCOC ZINC000119028704 172271130 /nfs/dbraw/zinc/27/11/30/172271130.db2.gz SUKCPVDPVKZLPU-UHFFFAOYSA-N 1 2 240.351 0.571 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000278820959 172280439 /nfs/dbraw/zinc/28/04/39/172280439.db2.gz ILHOMHDJELMRNY-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1ncnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000278820959 172280442 /nfs/dbraw/zinc/28/04/42/172280442.db2.gz ILHOMHDJELMRNY-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336775481 172282145 /nfs/dbraw/zinc/28/21/45/172282145.db2.gz ZEFKGOPRBTUBPE-VHSXEESVSA-N 1 2 223.324 0.338 20 0 BCADLO CCn1nncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000292748335 172288794 /nfs/dbraw/zinc/28/87/94/172288794.db2.gz AWEIEZSMJQAVIK-UHFFFAOYSA-N 1 2 249.318 0.218 20 0 BCADLO CCn1nncc1C(=O)Nc1c[nH+]ccc1OC ZINC000293278756 172290398 /nfs/dbraw/zinc/29/03/98/172290398.db2.gz CKARFVXZXSBUEU-UHFFFAOYSA-N 1 2 247.258 0.954 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000362565249 172309619 /nfs/dbraw/zinc/30/96/19/172309619.db2.gz SIWABBDKFLBCBT-LBPRGKRZSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000362565249 172309620 /nfs/dbraw/zinc/30/96/20/172309620.db2.gz SIWABBDKFLBCBT-LBPRGKRZSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@@](F)(CO)C1)C1CC1 ZINC000338585339 172309960 /nfs/dbraw/zinc/30/99/60/172309960.db2.gz AAQXXDUPRQPZDD-NSHDSACASA-N 1 2 230.283 0.014 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@@](F)(CO)C1)C1CC1 ZINC000338585339 172309962 /nfs/dbraw/zinc/30/99/62/172309962.db2.gz AAQXXDUPRQPZDD-NSHDSACASA-N 1 2 230.283 0.014 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)CCn1cc[nH+]c1 ZINC000674814005 487624392 /nfs/dbraw/zinc/62/43/92/487624392.db2.gz BANMEIZZUQLDRV-LLVKDONJSA-N 1 2 237.303 0.503 20 0 BCADLO CN(C)[C@@H](C(=O)N(C)C1CC1)c1c[nH+]cn1C ZINC000280883884 172324876 /nfs/dbraw/zinc/32/48/76/172324876.db2.gz YXRJNDUXMKIHMB-LLVKDONJSA-N 1 2 236.319 0.644 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000336498321 172357777 /nfs/dbraw/zinc/35/77/77/172357777.db2.gz WKIWZWFTHVPADW-UHFFFAOYSA-N 1 2 206.236 0.806 20 0 BCADLO CN(C)C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000336498321 172357778 /nfs/dbraw/zinc/35/77/78/172357778.db2.gz WKIWZWFTHVPADW-UHFFFAOYSA-N 1 2 206.236 0.806 20 0 BCADLO CN(C)c1ccc(CNC(=O)C2CC(=O)C2)c[nH+]1 ZINC000270738378 172552036 /nfs/dbraw/zinc/55/20/36/172552036.db2.gz FOLPZQKSCLYUHX-UHFFFAOYSA-N 1 2 247.298 0.743 20 0 BCADLO C[N@H+](C[C@](C)(O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000337187522 172836649 /nfs/dbraw/zinc/83/66/49/172836649.db2.gz QETZTEZSVYBABY-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@](C)(O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000337187522 172836652 /nfs/dbraw/zinc/83/66/52/172836652.db2.gz QETZTEZSVYBABY-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+](Cc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000330560143 172880436 /nfs/dbraw/zinc/88/04/36/172880436.db2.gz BAORRCQHVAHCTR-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000330560143 172880439 /nfs/dbraw/zinc/88/04/39/172880439.db2.gz BAORRCQHVAHCTR-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CN(Cc1[nH+]ccn1C)C[C@H](O)C(F)(F)F ZINC000082680323 172930939 /nfs/dbraw/zinc/93/09/39/172930939.db2.gz CBPGESPSBYEWEJ-ZETCQYMHSA-N 1 2 237.225 0.775 20 0 BCADLO CN1CCC[N@H+](Cc2cncs2)CC1=O ZINC000364139171 173017861 /nfs/dbraw/zinc/01/78/61/173017861.db2.gz MYHLMINLWZWLFH-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CN1CCC[N@@H+](Cc2cncs2)CC1=O ZINC000364139171 173017864 /nfs/dbraw/zinc/01/78/64/173017864.db2.gz MYHLMINLWZWLFH-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000333204085 173025785 /nfs/dbraw/zinc/02/57/85/173025785.db2.gz AGPZWTXMXQVRAN-SECBINFHSA-N 1 2 249.318 0.394 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000333204085 173025786 /nfs/dbraw/zinc/02/57/86/173025786.db2.gz AGPZWTXMXQVRAN-SECBINFHSA-N 1 2 249.318 0.394 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccnc2F)CC1 ZINC000229976253 173073871 /nfs/dbraw/zinc/07/38/71/173073871.db2.gz WAZSXDHFGTZGRA-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2ncc(F)cn2)C1 ZINC000227757496 173075364 /nfs/dbraw/zinc/07/53/64/173075364.db2.gz VVTTVXYDGFSPRC-JTQLQIEISA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2ncc(F)cn2)C1 ZINC000227757496 173075365 /nfs/dbraw/zinc/07/53/65/173075365.db2.gz VVTTVXYDGFSPRC-JTQLQIEISA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2ncccn2)C1 ZINC000082669156 173077373 /nfs/dbraw/zinc/07/73/73/173077373.db2.gz DEMJIOMXOFVQAZ-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2ncccn2)C1 ZINC000082669156 173077375 /nfs/dbraw/zinc/07/73/75/173077375.db2.gz DEMJIOMXOFVQAZ-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000182793659 173092846 /nfs/dbraw/zinc/09/28/46/173092846.db2.gz UHKKDMCQBVAWPW-OCCSQVGLSA-N 1 2 246.310 0.419 20 0 BCADLO CN1CC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000182793659 173092848 /nfs/dbraw/zinc/09/28/48/173092848.db2.gz UHKKDMCQBVAWPW-OCCSQVGLSA-N 1 2 246.310 0.419 20 0 BCADLO C[NH+]1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000044116668 173094738 /nfs/dbraw/zinc/09/47/38/173094738.db2.gz NQPHDQYUMVRCGB-UONOGXRCSA-N 1 2 232.327 0.892 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nccs2)C1 ZINC000174465451 173100835 /nfs/dbraw/zinc/10/08/35/173100835.db2.gz UDLHADSIHNXPRV-SSDOTTSWSA-N 1 2 227.289 0.412 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2nccs2)C1 ZINC000174465451 173100839 /nfs/dbraw/zinc/10/08/39/173100839.db2.gz UDLHADSIHNXPRV-SSDOTTSWSA-N 1 2 227.289 0.412 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ncccc2F)C1 ZINC000085791145 173103446 /nfs/dbraw/zinc/10/34/46/173103446.db2.gz JSFDVGMRXQUYTF-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ncccc2F)C1 ZINC000085791145 173103449 /nfs/dbraw/zinc/10/34/49/173103449.db2.gz JSFDVGMRXQUYTF-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2nccs2)C1 ZINC000174465439 173107460 /nfs/dbraw/zinc/10/74/60/173107460.db2.gz UDLHADSIHNXPRV-ZETCQYMHSA-N 1 2 227.289 0.412 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2nccs2)C1 ZINC000174465439 173107462 /nfs/dbraw/zinc/10/74/62/173107462.db2.gz UDLHADSIHNXPRV-ZETCQYMHSA-N 1 2 227.289 0.412 20 0 BCADLO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000268577926 173108442 /nfs/dbraw/zinc/10/84/42/173108442.db2.gz DDOCLUUHTCLTJY-LLVKDONJSA-N 1 2 237.303 0.086 20 0 BCADLO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000268577926 173108443 /nfs/dbraw/zinc/10/84/43/173108443.db2.gz DDOCLUUHTCLTJY-LLVKDONJSA-N 1 2 237.303 0.086 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C2CC2)C1 ZINC000369935918 173108482 /nfs/dbraw/zinc/10/84/82/173108482.db2.gz OICHGKUACXFXQW-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C2CC2)C1 ZINC000369935918 173108484 /nfs/dbraw/zinc/10/84/84/173108484.db2.gz OICHGKUACXFXQW-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCN(C)C1=O ZINC000336643683 173120626 /nfs/dbraw/zinc/12/06/26/173120626.db2.gz DHDDRAWLASIARF-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCc3ncccc3C2)C1=O ZINC000368334156 173121592 /nfs/dbraw/zinc/12/15/92/173121592.db2.gz VNKIWZXKNGRYHJ-GFCCVEGCSA-N 1 2 231.299 0.670 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCc3ncccc3C2)C1=O ZINC000368334156 173121595 /nfs/dbraw/zinc/12/15/95/173121595.db2.gz VNKIWZXKNGRYHJ-GFCCVEGCSA-N 1 2 231.299 0.670 20 0 BCADLO CN1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1=O ZINC000217496851 173127622 /nfs/dbraw/zinc/12/76/22/173127622.db2.gz HZVVTPIWVZUWFY-MRVPVSSYSA-N 1 2 246.274 0.006 20 0 BCADLO CN1CC[C@H]([N@H+](C)C/C=C/Cl)C1=O ZINC000265716691 173148468 /nfs/dbraw/zinc/14/84/68/173148468.db2.gz PRRNMMZSMWCQCT-WGAJWPLOSA-N 1 2 202.685 0.901 20 0 BCADLO CN1CC[C@H]([N@@H+](C)C/C=C/Cl)C1=O ZINC000265716691 173148470 /nfs/dbraw/zinc/14/84/70/173148470.db2.gz PRRNMMZSMWCQCT-WGAJWPLOSA-N 1 2 202.685 0.901 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccc(CO)o2)C1=O ZINC000271221411 173149126 /nfs/dbraw/zinc/14/91/26/173149126.db2.gz ZJAMNCRNSNJAQS-NSHDSACASA-N 1 2 238.287 0.434 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccc(CO)o2)C1=O ZINC000271221411 173149129 /nfs/dbraw/zinc/14/91/29/173149129.db2.gz ZJAMNCRNSNJAQS-NSHDSACASA-N 1 2 238.287 0.434 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000116273553 173150502 /nfs/dbraw/zinc/15/05/02/173150502.db2.gz MGATXTPRSQQVIP-JQWIXIFHSA-N 1 2 248.330 0.820 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000116273553 173150504 /nfs/dbraw/zinc/15/05/04/173150504.db2.gz MGATXTPRSQQVIP-JQWIXIFHSA-N 1 2 248.330 0.820 20 0 BCADLO CN1C[C@H](Nc2[nH+]cnc3c2cnn3C)CC1=O ZINC000264544339 173195739 /nfs/dbraw/zinc/19/57/39/173195739.db2.gz IRNBAQCCNUSKDE-SSDOTTSWSA-N 1 2 246.274 0.006 20 0 BCADLO CNC(=O)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000285224587 173216740 /nfs/dbraw/zinc/21/67/40/173216740.db2.gz MYPPXURGAJAESY-UHFFFAOYSA-N 1 2 246.270 0.005 20 0 BCADLO CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000356560481 173218008 /nfs/dbraw/zinc/21/80/08/173218008.db2.gz GZTBWRDRXGIORH-UHFFFAOYSA-N 1 2 207.233 0.383 20 0 BCADLO CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000336479498 173218797 /nfs/dbraw/zinc/21/87/97/173218797.db2.gz LHGWOZQWZODKCT-UHFFFAOYSA-N 1 2 246.270 0.566 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccnn2C(C)C)C1 ZINC000285056378 173226927 /nfs/dbraw/zinc/22/69/27/173226927.db2.gz OKNFLMZJCLQLFN-UHFFFAOYSA-N 1 2 236.319 0.642 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cccnc2Cl)C1 ZINC000285058509 173228370 /nfs/dbraw/zinc/22/83/70/173228370.db2.gz OMGOSBIBDGVIKZ-UHFFFAOYSA-N 1 2 239.706 0.913 20 0 BCADLO CNC(=O)CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000330449236 173232945 /nfs/dbraw/zinc/23/29/45/173232945.db2.gz ZMLVDBWETYULGC-JTQLQIEISA-N 1 2 238.291 0.359 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000293124149 173238061 /nfs/dbraw/zinc/23/80/61/173238061.db2.gz KSWYZAMVULKJFT-UHFFFAOYSA-N 1 2 225.296 0.071 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000293124149 173238062 /nfs/dbraw/zinc/23/80/62/173238062.db2.gz KSWYZAMVULKJFT-UHFFFAOYSA-N 1 2 225.296 0.071 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000330855026 173249198 /nfs/dbraw/zinc/24/91/98/173249198.db2.gz RSNGQUGOFYWYFL-SSDOTTSWSA-N 1 2 242.348 0.975 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000330855026 173249199 /nfs/dbraw/zinc/24/91/99/173249199.db2.gz RSNGQUGOFYWYFL-SSDOTTSWSA-N 1 2 242.348 0.975 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000356321385 173267535 /nfs/dbraw/zinc/26/75/35/173267535.db2.gz UJVSRBNKJDLQPS-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000356321385 173267537 /nfs/dbraw/zinc/26/75/37/173267537.db2.gz UJVSRBNKJDLQPS-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000270691235 173268869 /nfs/dbraw/zinc/26/88/69/173268869.db2.gz FRGXEMQJDRFQDG-VIFPVBQESA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000270691235 173268873 /nfs/dbraw/zinc/26/88/73/173268873.db2.gz FRGXEMQJDRFQDG-VIFPVBQESA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000267930886 173271426 /nfs/dbraw/zinc/27/14/26/173271426.db2.gz GWBLEQQGIVLLTN-UHFFFAOYSA-N 1 2 248.330 0.846 20 0 BCADLO CNC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000272559045 173273187 /nfs/dbraw/zinc/27/31/87/173273187.db2.gz NKRYGAATTGTHCU-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CNC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000272559045 173273188 /nfs/dbraw/zinc/27/31/88/173273188.db2.gz NKRYGAATTGTHCU-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CNC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281483774 173274156 /nfs/dbraw/zinc/27/41/56/173274156.db2.gz SNCRDAYRLSQJMA-NSHDSACASA-N 1 2 236.319 0.693 20 0 BCADLO CNC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281483774 173274157 /nfs/dbraw/zinc/27/41/57/173274157.db2.gz SNCRDAYRLSQJMA-NSHDSACASA-N 1 2 236.319 0.693 20 0 BCADLO 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BCADLO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000358288763 173282676 /nfs/dbraw/zinc/28/26/76/173282676.db2.gz OHUVEHZWMSBIQW-GRYCIOLGSA-N 1 2 241.379 0.829 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000358288763 173282677 /nfs/dbraw/zinc/28/26/77/173282677.db2.gz OHUVEHZWMSBIQW-GRYCIOLGSA-N 1 2 241.379 0.829 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000336557746 173285700 /nfs/dbraw/zinc/28/57/00/173285700.db2.gz HVLLXNOYGKJCDF-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336267561 173287034 /nfs/dbraw/zinc/28/70/34/173287034.db2.gz XFAQJXWHRXLUCW-SNVBAGLBSA-N 1 2 231.271 0.266 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000336267561 173287035 /nfs/dbraw/zinc/28/70/35/173287035.db2.gz XFAQJXWHRXLUCW-SNVBAGLBSA-N 1 2 231.271 0.266 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cccc[nH+]1 ZINC000301490254 173294012 /nfs/dbraw/zinc/29/40/12/173294012.db2.gz MCZBJBAOLWSHHJ-VIFPVBQESA-N 1 2 207.277 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BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000264759048 173299152 /nfs/dbraw/zinc/29/91/52/173299152.db2.gz YLXMGLFWLWUOLQ-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)OC ZINC000309479758 173299378 /nfs/dbraw/zinc/29/93/78/173299378.db2.gz STYBHMCEOBUGBN-HLTSFMKQSA-N 1 2 228.292 0.052 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000309536959 173299622 /nfs/dbraw/zinc/29/96/22/173299622.db2.gz FEVHOHNYOQDIEQ-NXEZZACHSA-N 1 2 222.292 0.414 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000121372485 173300184 /nfs/dbraw/zinc/30/01/84/173300184.db2.gz LDWACFGPUHDERC-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000121372485 173300185 /nfs/dbraw/zinc/30/01/85/173300185.db2.gz LDWACFGPUHDERC-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1cocn1)C(C)C ZINC000309180890 173305724 /nfs/dbraw/zinc/30/57/24/173305724.db2.gz NVQJKNFRRBTXJV-SECBINFHSA-N 1 2 211.265 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BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000275154060 173306878 /nfs/dbraw/zinc/30/68/78/173306878.db2.gz UJQHMPRSPBDEJV-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000275154060 173306879 /nfs/dbraw/zinc/30/68/79/173306879.db2.gz UJQHMPRSPBDEJV-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccn(C)n1 ZINC000270819646 173307211 /nfs/dbraw/zinc/30/72/11/173307211.db2.gz QXIQPAQYAAGGQS-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC000270819646 173307212 /nfs/dbraw/zinc/30/72/12/173307212.db2.gz QXIQPAQYAAGGQS-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000184088012 173308203 /nfs/dbraw/zinc/30/82/03/173308203.db2.gz MTSPVJGGKAUDJR-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ncccc2C)CCO1 ZINC000184088012 173308204 /nfs/dbraw/zinc/30/82/04/173308204.db2.gz MTSPVJGGKAUDJR-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000272899270 173308398 /nfs/dbraw/zinc/30/83/98/173308398.db2.gz PDUSMDLSLBVLSX-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000272899270 173308399 /nfs/dbraw/zinc/30/83/99/173308399.db2.gz PDUSMDLSLBVLSX-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO COC1(C)CC[NH+](Cc2nnnn2C)CC1 ZINC000342145653 173976536 /nfs/dbraw/zinc/97/65/36/173976536.db2.gz XTDUJDDQORIQBI-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO COC1(CO)CC[NH+](Cc2ccon2)CC1 ZINC000352350389 174007774 /nfs/dbraw/zinc/00/77/74/174007774.db2.gz QLKJJIRRAZBACI-UHFFFAOYSA-N 1 2 226.276 0.648 20 0 BCADLO COC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000336434868 174035305 /nfs/dbraw/zinc/03/53/05/174035305.db2.gz NNBWBTHZXOMZJN-UHFFFAOYSA-N 1 2 231.255 0.805 20 0 BCADLO COC1C[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000336709486 174035776 /nfs/dbraw/zinc/03/57/76/174035776.db2.gz JXGXUBOZCVKYJL-SNVBAGLBSA-N 1 2 241.287 0.488 20 0 BCADLO 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ZINC000336720124 174111150 /nfs/dbraw/zinc/11/11/50/174111150.db2.gz YCQWKNOKCHIFDA-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO COCC1(O)CC[NH+](Cc2nccn2C)CC1 ZINC000336709982 174111560 /nfs/dbraw/zinc/11/15/60/174111560.db2.gz QHZSKRSFYBRTJL-UHFFFAOYSA-N 1 2 239.319 0.393 20 0 BCADLO COCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339652347 174128962 /nfs/dbraw/zinc/12/89/62/174128962.db2.gz UQIDTOLOIJZVEL-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000332015683 174158484 /nfs/dbraw/zinc/15/84/84/174158484.db2.gz SEDQIMQYSMZAEI-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO COCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000330866844 174180122 /nfs/dbraw/zinc/18/01/22/174180122.db2.gz CWDMRZNBXWYKFU-UHFFFAOYSA-N 1 2 240.307 0.616 20 0 BCADLO COCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000330866844 174180124 /nfs/dbraw/zinc/18/01/24/174180124.db2.gz CWDMRZNBXWYKFU-UHFFFAOYSA-N 1 2 240.307 0.616 20 0 BCADLO COCCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364029379 174213177 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ZINC000248079978 174296784 /nfs/dbraw/zinc/29/67/84/174296784.db2.gz AGAXUTFPOLRMSW-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO COCCN(CCOC)Cc1[nH+]ccn1C ZINC000248079978 174296785 /nfs/dbraw/zinc/29/67/85/174296785.db2.gz AGAXUTFPOLRMSW-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO COCC[N@H+](CCn1cccn1)CC(=O)OC ZINC000114476621 174297473 /nfs/dbraw/zinc/29/74/73/174297473.db2.gz HKAKUFDZRAFPKQ-UHFFFAOYSA-N 1 2 241.291 0.005 20 0 BCADLO COCC[N@@H+](CCn1cccn1)CC(=O)OC ZINC000114476621 174297474 /nfs/dbraw/zinc/29/74/74/174297474.db2.gz HKAKUFDZRAFPKQ-UHFFFAOYSA-N 1 2 241.291 0.005 20 0 BCADLO COCC[N@H+](Cc1cnnn1C)[C@@H]1CCOC1 ZINC000352355646 174301048 /nfs/dbraw/zinc/30/10/48/174301048.db2.gz DEZWLYOCFXKZIO-SNVBAGLBSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](Cc1cnnn1C)[C@@H]1CCOC1 ZINC000352355646 174301049 /nfs/dbraw/zinc/30/10/49/174301049.db2.gz DEZWLYOCFXKZIO-SNVBAGLBSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356378161 174308975 /nfs/dbraw/zinc/30/89/75/174308975.db2.gz YOEHFWQLIISLLU-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO COCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356378161 174308976 /nfs/dbraw/zinc/30/89/76/174308976.db2.gz YOEHFWQLIISLLU-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO COCCN1CC[NH+](CCCC(=O)OC)CC1 ZINC000116349162 174309388 /nfs/dbraw/zinc/30/93/88/174309388.db2.gz NLMGUVQWGIWYGX-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO COCC[NH+]1CCN(Cc2cnns2)CC1 ZINC000336663690 174310769 /nfs/dbraw/zinc/31/07/69/174310769.db2.gz KXTWQNNCDVSQTE-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156187756 174311400 /nfs/dbraw/zinc/31/14/00/174311400.db2.gz OKQBBVKERVGTBT-GFCCVEGCSA-N 1 2 234.299 0.806 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156187756 174311402 /nfs/dbraw/zinc/31/14/02/174311402.db2.gz OKQBBVKERVGTBT-GFCCVEGCSA-N 1 2 234.299 0.806 20 0 BCADLO COCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000307106682 174318869 /nfs/dbraw/zinc/31/88/69/174318869.db2.gz FAXPFAFJTHIENI-WOFXILAISA-N 1 2 205.323 0.474 20 0 BCADLO COCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368166309 174324593 /nfs/dbraw/zinc/32/45/93/174324593.db2.gz VBBJDSNRWQQMIU-MRVPVSSYSA-N 1 2 238.291 0.213 20 0 BCADLO COCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368166309 174324596 /nfs/dbraw/zinc/32/45/96/174324596.db2.gz VBBJDSNRWQQMIU-MRVPVSSYSA-N 1 2 238.291 0.213 20 0 BCADLO COCCOCC[N@H+](C)Cc1nccc(N)n1 ZINC000289123767 174352361 /nfs/dbraw/zinc/35/23/61/174352361.db2.gz XEIMILFPYSJWBD-UHFFFAOYSA-N 1 2 240.307 0.154 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nccc(N)n1 ZINC000289123767 174352363 /nfs/dbraw/zinc/35/23/63/174352363.db2.gz XEIMILFPYSJWBD-UHFFFAOYSA-N 1 2 240.307 0.154 20 0 BCADLO COCCOCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362078121 174355350 /nfs/dbraw/zinc/35/53/50/174355350.db2.gz PSBNERMCGRUDEY-GHMZBOCLSA-N 1 2 249.376 0.491 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000188828381 174365520 /nfs/dbraw/zinc/36/55/20/174365520.db2.gz QPCPTAUBPABXIK-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000188828381 174365522 /nfs/dbraw/zinc/36/55/22/174365522.db2.gz QPCPTAUBPABXIK-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000189652363 174366176 /nfs/dbraw/zinc/36/61/76/174366176.db2.gz DRFDDRVAOMYRMT-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000189652363 174366177 /nfs/dbraw/zinc/36/61/77/174366177.db2.gz DRFDDRVAOMYRMT-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO COCCSCCC[N@@H+]1CCNC(=O)C1 ZINC000362929101 174374238 /nfs/dbraw/zinc/37/42/38/174374238.db2.gz ZQCQRHSIHUKHSI-UHFFFAOYSA-N 1 2 232.349 0.188 20 0 BCADLO COCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338101600 174381494 /nfs/dbraw/zinc/38/14/94/174381494.db2.gz VXTAKIXJUAXBPM-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(=O)OC ZINC000336753981 174585414 /nfs/dbraw/zinc/58/54/14/174585414.db2.gz HESDSMRLPCHLCB-JLIMGVALSA-N 1 2 215.293 0.809 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000182216443 174649584 /nfs/dbraw/zinc/64/95/84/174649584.db2.gz MTUAXCUJMSOJSN-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@H](OC)C2)n1 ZINC000182216443 174649586 /nfs/dbraw/zinc/64/95/86/174649586.db2.gz MTUAXCUJMSOJSN-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO CO[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000280571000 174801131 /nfs/dbraw/zinc/80/11/31/174801131.db2.gz CKCUHNINWVHLMX-ONGXEEELSA-N 1 2 237.303 0.813 20 0 BCADLO COc1cc(NC[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC000091673901 175002205 /nfs/dbraw/zinc/00/22/05/175002205.db2.gz UBKWGKARIOWAJR-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC000091673901 175002206 /nfs/dbraw/zinc/00/22/06/175002206.db2.gz UBKWGKARIOWAJR-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)nn1 ZINC000359481136 175060910 /nfs/dbraw/zinc/06/09/10/175060910.db2.gz LBQAWYNRALUHDQ-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO COc1ccc(C(=O)NCc2[nH+]ccn2C)nc1 ZINC000360145070 175061472 /nfs/dbraw/zinc/06/14/72/175061472.db2.gz ZCDKFAAJCPTTHW-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000338275551 175096270 /nfs/dbraw/zinc/09/62/70/175096270.db2.gz NOEIMUPPUROCLD-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000338275551 175096272 /nfs/dbraw/zinc/09/62/72/175096272.db2.gz NOEIMUPPUROCLD-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cccc(C[N@H+](C)C(C)(C)C(N)=O)n1 ZINC000295760868 175253485 /nfs/dbraw/zinc/25/34/85/175253485.db2.gz RNZHHNDNNAIUGR-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cccc(C[N@@H+](C)C(C)(C)C(N)=O)n1 ZINC000295760868 175253486 /nfs/dbraw/zinc/25/34/86/175253486.db2.gz RNZHHNDNNAIUGR-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000172188978 175257381 /nfs/dbraw/zinc/25/73/81/175257381.db2.gz UQWFXFNPUGAHGM-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cccc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000172188978 175257383 /nfs/dbraw/zinc/25/73/83/175257383.db2.gz UQWFXFNPUGAHGM-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cccc(C[N@@H+]2CCOC[C@H](O)C2)n1 ZINC000294909187 175258307 /nfs/dbraw/zinc/25/83/07/175258307.db2.gz XXEUMKOIYHZLSU-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO COc1cccc(C[N@H+]2CCOC[C@H](O)C2)n1 ZINC000294909187 175258308 /nfs/dbraw/zinc/25/83/08/175258308.db2.gz XXEUMKOIYHZLSU-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO COc1ccnc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265647287 175358231 /nfs/dbraw/zinc/35/82/31/175358231.db2.gz MKIZLKKVFOGJHE-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccnc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265647287 175358235 /nfs/dbraw/zinc/35/82/35/175358235.db2.gz MKIZLKKVFOGJHE-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc[nH+]c(CN(C)[C@H]2CCN(C)C2=O)c1 ZINC000265647287 175358237 /nfs/dbraw/zinc/35/82/37/175358237.db2.gz MKIZLKKVFOGJHE-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N[C@H](C)C2)c1 ZINC000296256394 175358924 /nfs/dbraw/zinc/35/89/24/175358924.db2.gz PQQRAIAUSGQDCO-SECBINFHSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)Cn1cccn1 ZINC000294734961 175370146 /nfs/dbraw/zinc/37/01/46/175370146.db2.gz XSIJUBLRXTXGBV-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C1CC(=O)C1 ZINC000294380573 175370222 /nfs/dbraw/zinc/37/02/22/175370222.db2.gz CTHXCGDBPHXJLU-UHFFFAOYSA-N 1 2 234.255 0.686 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)NC1CCC1 ZINC000264526289 175374482 /nfs/dbraw/zinc/37/44/82/175374482.db2.gz MKFZPEBKHAQEAR-UHFFFAOYSA-N 1 2 249.270 0.697 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1ncn(C)n1 ZINC000355255749 175376381 /nfs/dbraw/zinc/37/63/81/175376381.db2.gz QKZBWFKXYHXUPI-UHFFFAOYSA-N 1 2 233.231 0.471 20 0 BCADLO COc1ccsc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000128400378 175378326 /nfs/dbraw/zinc/37/83/26/175378326.db2.gz BLSODVWLFYGXOZ-SECBINFHSA-N 1 2 243.328 0.950 20 0 BCADLO COc1ccsc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000128400378 175378327 /nfs/dbraw/zinc/37/83/27/175378327.db2.gz BLSODVWLFYGXOZ-SECBINFHSA-N 1 2 243.328 0.950 20 0 BCADLO COc1cncc(C[N@@H+]2CCn3ncnc3C2)c1 ZINC000329677923 175385084 /nfs/dbraw/zinc/38/50/84/175385084.db2.gz WUIXCRUFZXVKFB-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cncc(C[N@H+]2CCn3ncnc3C2)c1 ZINC000329677923 175385085 /nfs/dbraw/zinc/38/50/85/175385085.db2.gz WUIXCRUFZXVKFB-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1nc(C)cc(C)c1C[N@H+](C)CC(N)=O ZINC000287287431 175390131 /nfs/dbraw/zinc/39/01/31/175390131.db2.gz MBSPSXRVJKMBQI-UHFFFAOYSA-N 1 2 237.303 0.624 20 0 BCADLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(N)=O ZINC000287287431 175390132 /nfs/dbraw/zinc/39/01/32/175390132.db2.gz MBSPSXRVJKMBQI-UHFFFAOYSA-N 1 2 237.303 0.624 20 0 BCADLO C[C@@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CCCO1 ZINC000309117855 175908498 /nfs/dbraw/zinc/90/84/98/175908498.db2.gz RUAFSFUYZWJTAL-BDAKNGLRSA-N 1 2 210.281 0.472 20 0 BCADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000270757682 176030683 /nfs/dbraw/zinc/03/06/83/176030683.db2.gz DSCZXQWTKWTOMN-NSHDSACASA-N 1 2 249.314 0.279 20 0 BCADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NC(N)=O ZINC000069069987 176031865 /nfs/dbraw/zinc/03/18/65/176031865.db2.gz NYRYHNCEIUPOLN-ZETCQYMHSA-N 1 2 225.248 0.467 20 0 BCADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NC(N)=O ZINC000069069987 176031867 /nfs/dbraw/zinc/03/18/67/176031867.db2.gz NYRYHNCEIUPOLN-ZETCQYMHSA-N 1 2 225.248 0.467 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCCO1 ZINC000329885636 176040580 /nfs/dbraw/zinc/04/05/80/176040580.db2.gz UXRRVCVXZUPJMN-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329885636 176040582 /nfs/dbraw/zinc/04/05/82/176040582.db2.gz UXRRVCVXZUPJMN-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCCCO ZINC000361848407 176041066 /nfs/dbraw/zinc/04/10/66/176041066.db2.gz AOPBCEAPXZHGNW-VIFPVBQESA-N 1 2 239.323 0.773 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCCCO ZINC000361848407 176041068 /nfs/dbraw/zinc/04/10/68/176041068.db2.gz AOPBCEAPXZHGNW-VIFPVBQESA-N 1 2 239.323 0.773 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364591297 176041209 /nfs/dbraw/zinc/04/12/09/176041209.db2.gz RNBUAOKDWUSOCC-WCBMZHEXSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364591297 176041211 /nfs/dbraw/zinc/04/12/11/176041211.db2.gz RNBUAOKDWUSOCC-WCBMZHEXSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)C(=O)N1C ZINC000277252002 176044321 /nfs/dbraw/zinc/04/43/21/176044321.db2.gz HHSXGHAGBJNDCM-SECBINFHSA-N 1 2 236.275 0.556 20 0 BCADLO C[C@@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000267813552 176044729 /nfs/dbraw/zinc/04/47/29/176044729.db2.gz UQEASDNFEPIBGM-YUMQZZPRSA-N 1 2 221.260 0.561 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000123416752 176045904 /nfs/dbraw/zinc/04/59/04/176045904.db2.gz TUXJEMDKMZZZKW-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000123416752 176045905 /nfs/dbraw/zinc/04/59/05/176045905.db2.gz TUXJEMDKMZZZKW-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1[nH]c2ccccc2[nH+]1 ZINC000271625832 176047332 /nfs/dbraw/zinc/04/73/32/176047332.db2.gz MWQJNYLELANFCQ-MRVPVSSYSA-N 1 2 230.271 0.888 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccno1 ZINC000375848798 176050121 /nfs/dbraw/zinc/05/01/21/176050121.db2.gz OTNJORAEQTYHKJ-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccno1 ZINC000375848798 176050123 /nfs/dbraw/zinc/05/01/23/176050123.db2.gz OTNJORAEQTYHKJ-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000371448078 176050578 /nfs/dbraw/zinc/05/05/78/176050578.db2.gz QDLBVEAKJZXEKY-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccnn1C ZINC000371448078 176050580 /nfs/dbraw/zinc/05/05/80/176050580.db2.gz QDLBVEAKJZXEKY-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)CC1(F)F ZINC000336303851 176168903 /nfs/dbraw/zinc/16/89/03/176168903.db2.gz JTPHLWUNEGSNNP-SSDOTTSWSA-N 1 2 249.261 0.549 20 0 BCADLO C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)CC1(F)F ZINC000336303851 176168905 /nfs/dbraw/zinc/16/89/05/176168905.db2.gz JTPHLWUNEGSNNP-SSDOTTSWSA-N 1 2 249.261 0.549 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308413 176193725 /nfs/dbraw/zinc/19/37/25/176193725.db2.gz NZLLZLXZMXUURC-VDDIYKPWSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308413 176193726 /nfs/dbraw/zinc/19/37/26/176193726.db2.gz NZLLZLXZMXUURC-VDDIYKPWSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000131606903 176220440 /nfs/dbraw/zinc/22/04/40/176220440.db2.gz BKOROAGRHCXTOC-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000351857817 176245990 /nfs/dbraw/zinc/24/59/90/176245990.db2.gz UYAKURNWCGICIY-NXEZZACHSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000336259816 176266830 /nfs/dbraw/zinc/26/68/30/176266830.db2.gz VHKAGBAUKXIHGW-SECBINFHSA-N 1 2 232.349 0.505 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000336259816 176266831 /nfs/dbraw/zinc/26/68/31/176266831.db2.gz VHKAGBAUKXIHGW-SECBINFHSA-N 1 2 232.349 0.505 20 0 BCADLO C[C@@H]1C[N@H+](CCN(C)c2ccccc2)CC(=O)N1 ZINC000296216938 176290639 /nfs/dbraw/zinc/29/06/39/176290639.db2.gz NRMFNYIUKJKYNR-GFCCVEGCSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC(=O)N1 ZINC000296216938 176290640 /nfs/dbraw/zinc/29/06/40/176290640.db2.gz NRMFNYIUKJKYNR-GFCCVEGCSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@](F)(CO)C2)CCO1 ZINC000338590066 176291172 /nfs/dbraw/zinc/29/11/72/176291172.db2.gz WNYHZPMFPFJTHC-VXGBXAGGSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@](F)(CO)C2)CCO1 ZINC000338590066 176291174 /nfs/dbraw/zinc/29/11/74/176291174.db2.gz WNYHZPMFPFJTHC-VXGBXAGGSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCOCC2)CCC1=O ZINC000077340186 176291296 /nfs/dbraw/zinc/29/12/96/176291296.db2.gz NURQGYQVVKNULE-LLVKDONJSA-N 1 2 226.320 0.230 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCOCC2)CCC1=O ZINC000077340186 176291297 /nfs/dbraw/zinc/29/12/97/176291297.db2.gz NURQGYQVVKNULE-LLVKDONJSA-N 1 2 226.320 0.230 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC000369407312 176292553 /nfs/dbraw/zinc/29/25/53/176292553.db2.gz GIYKRMYIDZZBCU-KOLCDFICSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC000369407312 176292554 /nfs/dbraw/zinc/29/25/54/176292554.db2.gz GIYKRMYIDZZBCU-KOLCDFICSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(C)(C)C)CC(=O)N1C ZINC000337459111 176293069 /nfs/dbraw/zinc/29/30/69/176293069.db2.gz OJOKNJYMBISKOZ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(C)(C)C)CC(=O)N1C ZINC000337459111 176293070 /nfs/dbraw/zinc/29/30/70/176293070.db2.gz OJOKNJYMBISKOZ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296138034 176294586 /nfs/dbraw/zinc/29/45/86/176294586.db2.gz ITABEZRZPNZBMF-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296138034 176294588 /nfs/dbraw/zinc/29/45/88/176294588.db2.gz ITABEZRZPNZBMF-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)C[C@@H](C)S1=O ZINC000336486654 176296017 /nfs/dbraw/zinc/29/60/17/176296017.db2.gz PUAQZIJWMQISOX-GHMZBOCLSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[NH+](CCn2ccnc2)C[C@@H](C)S1=O ZINC000336486654 176296018 /nfs/dbraw/zinc/29/60/18/176296018.db2.gz PUAQZIJWMQISOX-GHMZBOCLSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CC(=O)N1 ZINC000294972863 176297979 /nfs/dbraw/zinc/29/79/79/176297979.db2.gz JEKQNDCPAFYDCI-ZJUUUORDSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CC(=O)N1 ZINC000294972863 176297981 /nfs/dbraw/zinc/29/79/81/176297981.db2.gz JEKQNDCPAFYDCI-ZJUUUORDSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC000339577019 176301515 /nfs/dbraw/zinc/30/15/15/176301515.db2.gz WNJLLWRPZYIENI-RKDXNWHRSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC000339577019 176301518 /nfs/dbraw/zinc/30/15/18/176301518.db2.gz WNJLLWRPZYIENI-RKDXNWHRSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC(=O)N1 ZINC000294980028 176304590 /nfs/dbraw/zinc/30/45/90/176304590.db2.gz JQNHCTORXRODCF-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC(=O)N1 ZINC000294980028 176304592 /nfs/dbraw/zinc/30/45/92/176304592.db2.gz JQNHCTORXRODCF-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC(=O)N1 ZINC000295138515 176307363 /nfs/dbraw/zinc/30/73/63/176307363.db2.gz ZLKNNQNCWSHADW-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC(=O)N1 ZINC000295138515 176307365 /nfs/dbraw/zinc/30/73/65/176307365.db2.gz ZLKNNQNCWSHADW-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H](C(N)=O)O1 ZINC000122441732 176307666 /nfs/dbraw/zinc/30/76/66/176307666.db2.gz GXWZIFZOYXUWPN-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H](C(N)=O)O1 ZINC000122441732 176307668 /nfs/dbraw/zinc/30/76/68/176307668.db2.gz GXWZIFZOYXUWPN-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000191773719 176310001 /nfs/dbraw/zinc/31/00/01/176310001.db2.gz XFBRPXXOJKEFIO-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000191773719 176310002 /nfs/dbraw/zinc/31/00/02/176310002.db2.gz XFBRPXXOJKEFIO-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCC1=O ZINC000229511268 176310866 /nfs/dbraw/zinc/31/08/66/176310866.db2.gz MVIIXVKOOBBJTR-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCC1=O ZINC000229511268 176310867 /nfs/dbraw/zinc/31/08/67/176310867.db2.gz MVIIXVKOOBBJTR-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)CCCO1 ZINC000179208937 176311353 /nfs/dbraw/zinc/31/13/53/176311353.db2.gz UNPLPZMHFVYLAL-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)CCCO1 ZINC000179208937 176311355 /nfs/dbraw/zinc/31/13/55/176311355.db2.gz UNPLPZMHFVYLAL-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCS1(=O)=O ZINC000353908754 176311765 /nfs/dbraw/zinc/31/17/65/176311765.db2.gz DKEKOORITVLNQK-MRVPVSSYSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@]2(CCOC2)O1 ZINC000280120369 176312008 /nfs/dbraw/zinc/31/20/08/176312008.db2.gz BOSZOKUXICLBQP-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@H]1O ZINC000338278957 176312061 /nfs/dbraw/zinc/31/20/61/176312061.db2.gz IBJSBSNWDKYOLQ-NXEZZACHSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@H]1O ZINC000338278957 176312062 /nfs/dbraw/zinc/31/20/62/176312062.db2.gz IBJSBSNWDKYOLQ-NXEZZACHSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)s2)CCCO1 ZINC000367446389 176313235 /nfs/dbraw/zinc/31/32/35/176313235.db2.gz DRGUHIMTHRGKMA-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)s2)CCCO1 ZINC000367446389 176313237 /nfs/dbraw/zinc/31/32/37/176313237.db2.gz DRGUHIMTHRGKMA-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1C[N@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367446389 176313239 /nfs/dbraw/zinc/31/32/39/176313239.db2.gz DRGUHIMTHRGKMA-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1C[N@@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367446389 176313241 /nfs/dbraw/zinc/31/32/41/176313241.db2.gz DRGUHIMTHRGKMA-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375949774 176316869 /nfs/dbraw/zinc/31/68/69/176316869.db2.gz YQUADZQHXCBTLR-XIZWVBILSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375949774 176316870 /nfs/dbraw/zinc/31/68/70/176316870.db2.gz YQUADZQHXCBTLR-XIZWVBILSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@]2(CCOC2)O1 ZINC000376675536 176317397 /nfs/dbraw/zinc/31/73/97/176317397.db2.gz YRXZTZQQEQUIAZ-SCVCMEIPSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@]2(CCOC2)O1 ZINC000376675536 176317398 /nfs/dbraw/zinc/31/73/98/176317398.db2.gz YRXZTZQQEQUIAZ-SCVCMEIPSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCCO[C@H](C)C1 ZINC000249292172 176317666 /nfs/dbraw/zinc/31/76/66/176317666.db2.gz MMKVFCHYBTZOQM-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCCO[C@H](C)C1 ZINC000249292172 176317667 /nfs/dbraw/zinc/31/76/67/176317667.db2.gz MMKVFCHYBTZOQM-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000337885513 176321432 /nfs/dbraw/zinc/32/14/32/176321432.db2.gz XPQNQLDFLBPMTF-VXNVDRBHSA-N 1 2 233.275 0.180 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000328611854 176332426 /nfs/dbraw/zinc/33/24/26/176332426.db2.gz OVBQULPBGHXOIK-VIFPVBQESA-N 1 2 237.307 0.476 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000328611854 176332428 /nfs/dbraw/zinc/33/24/28/176332428.db2.gz OVBQULPBGHXOIK-VIFPVBQESA-N 1 2 237.307 0.476 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000329878711 176333097 /nfs/dbraw/zinc/33/30/97/176333097.db2.gz LFCANSBNFLYVPW-DTWKUNHWSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCOC[C@@H](C)C1 ZINC000329878711 176333099 /nfs/dbraw/zinc/33/30/99/176333099.db2.gz LFCANSBNFLYVPW-DTWKUNHWSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC1 ZINC000355521422 176335574 /nfs/dbraw/zinc/33/55/74/176335574.db2.gz KWUVHJNQUOVLEQ-SECBINFHSA-N 1 2 227.308 0.169 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC1 ZINC000355521422 176335576 /nfs/dbraw/zinc/33/55/76/176335576.db2.gz KWUVHJNQUOVLEQ-SECBINFHSA-N 1 2 227.308 0.169 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C ZINC000355081574 176336552 /nfs/dbraw/zinc/33/65/52/176336552.db2.gz FGDBQJXPBLUUOQ-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C ZINC000355081574 176336555 /nfs/dbraw/zinc/33/65/55/176336555.db2.gz FGDBQJXPBLUUOQ-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nccc(N)n1 ZINC000179221430 176351199 /nfs/dbraw/zinc/35/11/99/176351199.db2.gz IOXNPILYEGCICB-MRVPVSSYSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nccc(N)n1 ZINC000179221430 176351200 /nfs/dbraw/zinc/35/12/00/176351200.db2.gz IOXNPILYEGCICB-MRVPVSSYSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000337218369 176364923 /nfs/dbraw/zinc/36/49/23/176364923.db2.gz JBPYAMZQHQJBAM-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)NCc1c[nH+]cn1C ZINC000360290006 176381585 /nfs/dbraw/zinc/38/15/85/176381585.db2.gz OLMOCFOLTPSURW-PSASIEDQSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000355034932 176389304 /nfs/dbraw/zinc/38/93/04/176389304.db2.gz LPNAZKKIDTXXAU-WISYIIOYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000355034932 176389305 /nfs/dbraw/zinc/38/93/05/176389305.db2.gz LPNAZKKIDTXXAU-WISYIIOYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H]([NH2+]Cc1ncc(Cl)n1C)C(=O)N(C)C ZINC000042571064 176884336 /nfs/dbraw/zinc/88/43/36/176884336.db2.gz CXJQIFMTPMZTIY-ZETCQYMHSA-N 1 2 244.726 0.640 20 0 BCADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330821957 177049927 /nfs/dbraw/zinc/04/99/27/177049927.db2.gz HMRIMFXINZKGSO-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330821957 177049930 /nfs/dbraw/zinc/04/99/30/177049930.db2.gz HMRIMFXINZKGSO-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341294264 177051262 /nfs/dbraw/zinc/05/12/62/177051262.db2.gz KAWJYLPMVVMIIZ-GHMZBOCLSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341294264 177051263 /nfs/dbraw/zinc/05/12/63/177051263.db2.gz KAWJYLPMVVMIIZ-GHMZBOCLSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCCOCC1 ZINC000372812954 177055109 /nfs/dbraw/zinc/05/51/09/177055109.db2.gz RJDNXGDHPMIANM-SECBINFHSA-N 1 2 237.307 0.791 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCCOCC1 ZINC000372812954 177055111 /nfs/dbraw/zinc/05/51/11/177055111.db2.gz RJDNXGDHPMIANM-SECBINFHSA-N 1 2 237.307 0.791 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCO1 ZINC000249496473 177055220 /nfs/dbraw/zinc/05/52/20/177055220.db2.gz WELBQWFHPVDOJQ-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCO1 ZINC000249496473 177055222 /nfs/dbraw/zinc/05/52/22/177055222.db2.gz WELBQWFHPVDOJQ-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364591292 177055235 /nfs/dbraw/zinc/05/52/35/177055235.db2.gz RNBUAOKDWUSOCC-PSASIEDQSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364591292 177055237 /nfs/dbraw/zinc/05/52/37/177055237.db2.gz RNBUAOKDWUSOCC-PSASIEDQSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cncc(F)c1 ZINC000334483011 177058139 /nfs/dbraw/zinc/05/81/39/177058139.db2.gz YHIFWFOUGXFZIE-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cncc(F)c1 ZINC000334483011 177058140 /nfs/dbraw/zinc/05/81/40/177058140.db2.gz YHIFWFOUGXFZIE-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364286863 177063150 /nfs/dbraw/zinc/06/31/50/177063150.db2.gz ZFRMJTMQXDEMAB-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)cn1 ZINC000364286863 177063151 /nfs/dbraw/zinc/06/31/51/177063151.db2.gz ZFRMJTMQXDEMAB-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000336486156 177093746 /nfs/dbraw/zinc/09/37/46/177093746.db2.gz LTDVHEBZHMIJTI-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000299689872 177159089 /nfs/dbraw/zinc/15/90/89/177159089.db2.gz YOIDWOLXIOTENV-ZETCQYMHSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000299689872 177159090 /nfs/dbraw/zinc/15/90/90/177159090.db2.gz YOIDWOLXIOTENV-ZETCQYMHSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@H]1CC[N@H+](CCn2cccn2)CC[S@]1=O ZINC000277063726 177161806 /nfs/dbraw/zinc/16/18/06/177161806.db2.gz DIKXQQSZCHFNEJ-MEDUHNTESA-N 1 2 241.360 0.726 20 0 BCADLO C[C@H]1CC[N@@H+](CCn2cccn2)CC[S@]1=O ZINC000277063726 177161807 /nfs/dbraw/zinc/16/18/07/177161807.db2.gz DIKXQQSZCHFNEJ-MEDUHNTESA-N 1 2 241.360 0.726 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000407958535 177168079 /nfs/dbraw/zinc/16/80/79/177168079.db2.gz QWFATGXAWOUJCQ-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000407958535 177168080 /nfs/dbraw/zinc/16/80/80/177168080.db2.gz QWFATGXAWOUJCQ-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000407958533 177168382 /nfs/dbraw/zinc/16/83/82/177168382.db2.gz QWFATGXAWOUJCQ-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000407958533 177168384 /nfs/dbraw/zinc/16/83/84/177168384.db2.gz QWFATGXAWOUJCQ-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1csnn1 ZINC000328676394 177172470 /nfs/dbraw/zinc/17/24/70/177172470.db2.gz RQSYXGIISSLZFM-POYBYMJQSA-N 1 2 226.305 0.993 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cocn1 ZINC000336758919 177174229 /nfs/dbraw/zinc/17/42/29/177174229.db2.gz KXWGLKBDQJLGIX-CBAPKCEASA-N 1 2 209.249 0.289 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1ncnn1C ZINC000362232794 177177624 /nfs/dbraw/zinc/17/76/24/177177624.db2.gz CXLGFJILYYBWDJ-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1ncnn1C ZINC000362232794 177177625 /nfs/dbraw/zinc/17/76/25/177177625.db2.gz CXLGFJILYYBWDJ-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000331045175 177182306 /nfs/dbraw/zinc/18/23/06/177182306.db2.gz HKLOIXKRGIHZFG-VWYCJHECSA-N 1 2 237.303 0.955 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)Cc2ccccc2O1 ZINC000292457790 177244947 /nfs/dbraw/zinc/24/49/47/177244947.db2.gz QCHWSJRUGNBBJG-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)Cc2ccccc2O1 ZINC000292457790 177244948 /nfs/dbraw/zinc/24/49/48/177244948.db2.gz QCHWSJRUGNBBJG-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO C[C@H]1C[N@H+](CCN2CC[C@@H](F)C2)CCO1 ZINC000336263013 177250609 /nfs/dbraw/zinc/25/06/09/177250609.db2.gz MNPAWAGXDSJBLV-WDEREUQCSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CC[C@@H](F)C2)CCO1 ZINC000336263013 177250611 /nfs/dbraw/zinc/25/06/11/177250611.db2.gz MNPAWAGXDSJBLV-WDEREUQCSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCC1=O ZINC000338570621 177251094 /nfs/dbraw/zinc/25/10/94/177251094.db2.gz SXUYRWJSANIKKC-VIFPVBQESA-N 1 2 238.287 0.046 20 0 BCADLO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCC1=O ZINC000338570621 177251096 /nfs/dbraw/zinc/25/10/96/177251096.db2.gz SXUYRWJSANIKKC-VIFPVBQESA-N 1 2 238.287 0.046 20 0 BCADLO C[C@H]1C[N@H+](CCN2CC[C@](F)(CO)C2)CCO1 ZINC000338590063 177251539 /nfs/dbraw/zinc/25/15/39/177251539.db2.gz WNYHZPMFPFJTHC-NWDGAFQWSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CC[C@](F)(CO)C2)CCO1 ZINC000338590063 177251541 /nfs/dbraw/zinc/25/15/41/177251541.db2.gz WNYHZPMFPFJTHC-NWDGAFQWSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CC(=O)N1 ZINC000333696443 177252571 /nfs/dbraw/zinc/25/25/71/177252571.db2.gz NFIMGSKBEVYVCO-JQWIXIFHSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C[N@@H+](CCO[C@H]2CCCCO2)CC(=O)N1 ZINC000333696443 177252573 /nfs/dbraw/zinc/25/25/73/177252573.db2.gz NFIMGSKBEVYVCO-JQWIXIFHSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CC2)CC[S@]1=O ZINC000357901679 177253102 /nfs/dbraw/zinc/25/31/02/177253102.db2.gz WUKORQWOKBKFIX-ZUZCIYMTSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CC2)CC[S@]1=O ZINC000357901679 177253103 /nfs/dbraw/zinc/25/31/03/177253103.db2.gz WUKORQWOKBKFIX-ZUZCIYMTSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@H]1C[N@H+](CCn2cncn2)CCC1=O ZINC000283321197 177255433 /nfs/dbraw/zinc/25/54/33/177255433.db2.gz YODXKUUFAIOKGI-VIFPVBQESA-N 1 2 208.265 0.189 20 0 BCADLO C[C@H]1C[N@@H+](CCn2cncn2)CCC1=O ZINC000283321197 177255434 /nfs/dbraw/zinc/25/54/34/177255434.db2.gz YODXKUUFAIOKGI-VIFPVBQESA-N 1 2 208.265 0.189 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CC(=O)N1C ZINC000282451290 177258807 /nfs/dbraw/zinc/25/88/07/177258807.db2.gz ZVKNIISMDCHHSF-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CC(=O)N1C ZINC000282451290 177258808 /nfs/dbraw/zinc/25/88/08/177258808.db2.gz ZVKNIISMDCHHSF-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccn2C)CC(=O)N1C ZINC000282881206 177266302 /nfs/dbraw/zinc/26/63/02/177266302.db2.gz YODCPIXQZBVRMG-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccn2C)CC(=O)N1C ZINC000282881206 177266304 /nfs/dbraw/zinc/26/63/04/177266304.db2.gz YODCPIXQZBVRMG-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccncc2)CC(=O)N1 ZINC000294923780 177267738 /nfs/dbraw/zinc/26/77/38/177267738.db2.gz FVORJEJURDQVQW-VIFPVBQESA-N 1 2 205.261 0.402 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccncc2)CC(=O)N1 ZINC000294923780 177267740 /nfs/dbraw/zinc/26/77/40/177267740.db2.gz FVORJEJURDQVQW-VIFPVBQESA-N 1 2 205.261 0.402 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)CCC1=O ZINC000229511277 177269821 /nfs/dbraw/zinc/26/98/21/177269821.db2.gz MVIIXVKOOBBJTR-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCC1=O ZINC000229511277 177269823 /nfs/dbraw/zinc/26/98/23/177269823.db2.gz MVIIXVKOOBBJTR-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](C)[NH+]1C ZINC000339615599 177270401 /nfs/dbraw/zinc/27/04/01/177270401.db2.gz LGHPTNBDAQBKHX-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000329260580 177270737 /nfs/dbraw/zinc/27/07/37/177270737.db2.gz DTFIDEZTLHVITR-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000329260580 177270739 /nfs/dbraw/zinc/27/07/39/177270739.db2.gz DTFIDEZTLHVITR-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1C[N@H+](Cc2csnn2)C[C@@H]1CO ZINC000361660483 177271078 /nfs/dbraw/zinc/27/10/78/177271078.db2.gz KQEDJRGTBAZYTF-JGVFFNPUSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@H]1C[N@@H+](Cc2csnn2)C[C@@H]1CO ZINC000361660483 177271081 /nfs/dbraw/zinc/27/10/81/177271081.db2.gz KQEDJRGTBAZYTF-JGVFFNPUSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)CCCO1 ZINC000328597868 177272230 /nfs/dbraw/zinc/27/22/30/177272230.db2.gz AQSJOOZIQVFMCY-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)CCCO1 ZINC000328597868 177272231 /nfs/dbraw/zinc/27/22/31/177272231.db2.gz AQSJOOZIQVFMCY-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCC1=O ZINC000125091173 177275270 /nfs/dbraw/zinc/27/52/70/177275270.db2.gz PIPXCNFIDOASPB-DTWKUNHWSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCC1=O ZINC000125091173 177275271 /nfs/dbraw/zinc/27/52/71/177275271.db2.gz PIPXCNFIDOASPB-DTWKUNHWSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CC[C@@H](F)C1 ZINC000336262838 177290443 /nfs/dbraw/zinc/29/04/43/177290443.db2.gz DLQNRBYRCISJLY-WDEREUQCSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CC[C@@H](F)C1 ZINC000336262838 177290445 /nfs/dbraw/zinc/29/04/45/177290445.db2.gz DLQNRBYRCISJLY-WDEREUQCSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000339098305 177290647 /nfs/dbraw/zinc/29/06/47/177290647.db2.gz AZVYNNHRSAZTHF-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1COCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000339098305 177290648 /nfs/dbraw/zinc/29/06/48/177290648.db2.gz AZVYNNHRSAZTHF-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC=CC1 ZINC000354003131 177291213 /nfs/dbraw/zinc/29/12/13/177291213.db2.gz RJFUGCITSKLDJN-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1CC=CC1 ZINC000354003131 177291214 /nfs/dbraw/zinc/29/12/14/177291214.db2.gz RJFUGCITSKLDJN-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN(C)Cc1cc[nH]n1 ZINC000337170828 177291435 /nfs/dbraw/zinc/29/14/35/177291435.db2.gz FKFRDPBALSCQGL-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN(C)Cc1cc[nH]n1 ZINC000337170828 177291436 /nfs/dbraw/zinc/29/14/36/177291436.db2.gz FKFRDPBALSCQGL-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1COCCN1CC[N@H+](C)Cc1cc[nH]n1 ZINC000337170828 177291438 /nfs/dbraw/zinc/29/14/38/177291438.db2.gz FKFRDPBALSCQGL-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1COCCN1CC[N@@H+](C)Cc1cc[nH]n1 ZINC000337170828 177291440 /nfs/dbraw/zinc/29/14/40/177291440.db2.gz FKFRDPBALSCQGL-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc[nH]1 ZINC000330619602 177291831 /nfs/dbraw/zinc/29/18/31/177291831.db2.gz IOHXZBUWQBIQKL-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc[nH]1 ZINC000330619602 177291832 /nfs/dbraw/zinc/29/18/32/177291832.db2.gz IOHXZBUWQBIQKL-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CC1 ZINC000359306725 177292032 /nfs/dbraw/zinc/29/20/32/177292032.db2.gz GGMDJKGUROTAFR-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C1CC1 ZINC000359306725 177292034 /nfs/dbraw/zinc/29/20/34/177292034.db2.gz GGMDJKGUROTAFR-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1cnc2cnccn12 ZINC000091814755 177293874 /nfs/dbraw/zinc/29/38/74/177293874.db2.gz GTSLSUARQFGDCV-JTQLQIEISA-N 1 2 232.287 0.950 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1cnc2cnccn12 ZINC000091814755 177293875 /nfs/dbraw/zinc/29/38/75/177293875.db2.gz GTSLSUARQFGDCV-JTQLQIEISA-N 1 2 232.287 0.950 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nccc(N)n1 ZINC000179221441 177304956 /nfs/dbraw/zinc/30/49/56/177304956.db2.gz IOXNPILYEGCICB-QMMMGPOBSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nccc(N)n1 ZINC000179221441 177304958 /nfs/dbraw/zinc/30/49/58/177304958.db2.gz IOXNPILYEGCICB-QMMMGPOBSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CO1 ZINC000332329283 177308786 /nfs/dbraw/zinc/30/87/86/177308786.db2.gz PKFIGJOLHJDDCF-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330380407 177323081 /nfs/dbraw/zinc/32/30/81/177323081.db2.gz MBZNZOQHJXUQAI-IQJOONFLSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(F)F ZINC000376187022 177328845 /nfs/dbraw/zinc/32/88/45/177328845.db2.gz IVOUTZJRLNMPER-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncccn1 ZINC000286195998 177366493 /nfs/dbraw/zinc/36/64/93/177366493.db2.gz BJWIPYCZQFGDJM-RYUDHWBXSA-N 1 2 248.330 0.776 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338164241 177379488 /nfs/dbraw/zinc/37/94/88/177379488.db2.gz XZEBZHKVZPMDJW-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000076048579 177383295 /nfs/dbraw/zinc/38/32/95/177383295.db2.gz UPYLEFHPUJBCJS-VHSXEESVSA-N 1 2 222.292 0.981 20 0 BCADLO C[C@@H]1Cc2[nH+]cn(Cc3nc(=O)[nH][nH]3)c2C[C@@H]1C ZINC000295185818 177387795 /nfs/dbraw/zinc/38/77/95/177387795.db2.gz QJJXWYHWZJPODA-SFYZADRCSA-N 1 2 247.302 0.714 20 0 BCADLO C[C@H]1Cc2[nH+]cn(Cc3nc(=O)[nH][nH]3)c2C[C@@H]1C ZINC000295185819 177391875 /nfs/dbraw/zinc/39/18/75/177391875.db2.gz QJJXWYHWZJPODA-YUMQZZPRSA-N 1 2 247.302 0.714 20 0 BCADLO C[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000330687273 177392006 /nfs/dbraw/zinc/39/20/06/177392006.db2.gz BTXGNNPGLKQQNC-SSDOTTSWSA-N 1 2 208.221 0.028 20 0 BCADLO C[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330322988 177393407 /nfs/dbraw/zinc/39/34/07/177393407.db2.gz HGKUYJUAEDGXFQ-SFYZADRCSA-N 1 2 234.259 0.343 20 0 BCADLO C[C@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000272242417 177393984 /nfs/dbraw/zinc/39/39/84/177393984.db2.gz JZWDASYENKTPJG-SECBINFHSA-N 1 2 248.286 0.824 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ccncn1 ZINC000488371578 225387285 /nfs/dbraw/zinc/38/72/85/225387285.db2.gz YMCHJKCTRNQSJR-UHFFFAOYSA-N 1 2 214.228 0.854 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000488440166 225398616 /nfs/dbraw/zinc/39/86/16/225398616.db2.gz AMUSLVNRZWAPGV-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](OC)C1 ZINC000488440166 225398621 /nfs/dbraw/zinc/39/86/21/225398621.db2.gz AMUSLVNRZWAPGV-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CO[C@H]1C[NH+](Cc2cscn2)C[C@@H]1OC ZINC000487977570 225339286 /nfs/dbraw/zinc/33/92/86/225339286.db2.gz WAOWBTRKUKJQNE-UWVGGRQHSA-N 1 2 228.317 0.989 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@@H]1O ZINC000488132545 225349153 /nfs/dbraw/zinc/34/91/53/225349153.db2.gz WSHIMRPKRAKKFY-YUMQZZPRSA-N 1 2 246.261 0.356 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@@H]1O ZINC000488132545 225349157 /nfs/dbraw/zinc/34/91/57/225349157.db2.gz WSHIMRPKRAKKFY-YUMQZZPRSA-N 1 2 246.261 0.356 20 0 BCADLO Cc1cc(N2CCC[C@@](O)(CO)C2)nc[nH+]1 ZINC000313640934 487645550 /nfs/dbraw/zinc/64/55/50/487645550.db2.gz YKWYNINEHMPMQW-NSHDSACASA-N 1 2 223.276 0.109 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCc1[nH]cc[nH+]1 ZINC000492775553 226050877 /nfs/dbraw/zinc/05/08/77/226050877.db2.gz YCNOOXOYSOLTHS-OWOJBTEDSA-N 1 2 231.259 0.505 20 0 BCADLO COCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000557043955 322933561 /nfs/dbraw/zinc/93/35/61/322933561.db2.gz AVLBDGFZBRSVCG-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO Cn1cc(CCNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492808706 226056576 /nfs/dbraw/zinc/05/65/76/226056576.db2.gz DHTCOJBXBNUWDP-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1=NCCS1 ZINC000492807134 226057422 /nfs/dbraw/zinc/05/74/22/226057422.db2.gz AVBFHKLOMDCLHQ-UPHRSURJSA-N 1 2 222.273 0.642 20 0 BCADLO O=C(C=Cc1c[nH]cn1)N1CC(n2cc[nH+]c2)C1 ZINC000492810044 226057628 /nfs/dbraw/zinc/05/76/28/226057628.db2.gz HGDCZMWCZHPUMS-OWOJBTEDSA-N 1 2 243.270 0.703 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](O)C1 ZINC000492828911 226061531 /nfs/dbraw/zinc/06/15/31/226061531.db2.gz ZPSZTEJKZCYIMO-IYABHPQVSA-N 1 2 207.233 0.016 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000492869593 226072083 /nfs/dbraw/zinc/07/20/83/226072083.db2.gz UXCWTPIZJHMGJY-YLBDSCSXSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC[C@H]1CCOC1 ZINC000492871296 226072265 /nfs/dbraw/zinc/07/22/65/226072265.db2.gz XGEOHIVMYPWVDM-VWCDRPFISA-N 1 2 237.259 0.507 20 0 BCADLO Cc1noc(CCNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492907135 226081463 /nfs/dbraw/zinc/08/14/63/226081463.db2.gz CRTCEFNUDLFDBO-IHWYPQMZSA-N 1 2 247.258 0.473 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)c1ccco1 ZINC000493028537 226106952 /nfs/dbraw/zinc/10/69/52/226106952.db2.gz URUFXBSAKGUHKI-FSIBCCDJSA-N 1 2 247.254 0.866 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)F ZINC000493080735 226120871 /nfs/dbraw/zinc/12/08/71/226120871.db2.gz HWUGXIBABLFJBX-UPHRSURJSA-N 1 2 201.176 0.804 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(O)(C(F)F)C1 ZINC000493092240 226124651 /nfs/dbraw/zinc/12/46/51/226124651.db2.gz HZNGRFOZKOJJTN-OWOJBTEDSA-N 1 2 243.213 0.261 20 0 BCADLO COC(=O)[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152712 226141115 /nfs/dbraw/zinc/14/11/15/226141115.db2.gz NKLYXELQGYYAPI-GKQMSVHHSA-N 1 2 249.270 0.444 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]1O ZINC000493167730 226144150 /nfs/dbraw/zinc/14/41/50/226144150.db2.gz ASVKLXWSYAVAKK-IADVWXNBSA-N 1 2 207.233 0.062 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@@H]1CCCCO1 ZINC000493194018 226151218 /nfs/dbraw/zinc/15/12/18/226151218.db2.gz SCFNTWHOJPNKRK-SGUJLRQBSA-N 1 2 237.259 0.997 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(C[C@@H]2CCOC2)n1 ZINC000680806653 487648850 /nfs/dbraw/zinc/64/88/50/487648850.db2.gz HFUUOTDJVPNLJG-VIFPVBQESA-N 1 2 248.286 0.973 20 0 BCADLO C[C@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1=O ZINC000493229968 226161866 /nfs/dbraw/zinc/16/18/66/226161866.db2.gz ZTLRALGNVINGBN-VUDBWIFFSA-N 1 2 235.243 0.245 20 0 BCADLO NC(=O)CC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CCC1 ZINC000493261082 226169093 /nfs/dbraw/zinc/16/90/93/226169093.db2.gz JNNGLABZLRHVIL-IHWYPQMZSA-N 1 2 248.286 0.337 20 0 BCADLO NC(=O)CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493261083 226169183 /nfs/dbraw/zinc/16/91/83/226169183.db2.gz JNNGLABZLRHVIL-NSCUHMNNSA-N 1 2 248.286 0.337 20 0 BCADLO Cc1cc(N2CCC3(COC(=O)N3)CC2)nc[nH+]1 ZINC000495250119 226280047 /nfs/dbraw/zinc/28/00/47/226280047.db2.gz GYCPHGTYSGTTPK-UHFFFAOYSA-N 1 2 248.286 0.864 20 0 BCADLO COCOCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493462175 226223504 /nfs/dbraw/zinc/22/35/04/226223504.db2.gz JSEHOOAYALZSCT-ONEGZZNKSA-N 1 2 239.275 0.550 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493465618 226224607 /nfs/dbraw/zinc/22/46/07/226224607.db2.gz ZBTNXUMVSDEDNE-HLKOZVMDSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](O)C1 ZINC000493484155 226229526 /nfs/dbraw/zinc/22/95/26/226229526.db2.gz ATKWIKSINTWQHO-TYRPZCRBSA-N 1 2 221.260 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000493496027 226233244 /nfs/dbraw/zinc/23/32/44/226233244.db2.gz PAHGUZZCBIPNHU-RGFOITJSSA-N 1 2 247.298 0.652 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495663123 226285207 /nfs/dbraw/zinc/28/52/07/226285207.db2.gz ZYWIYAIAFALVNB-BDAKNGLRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495663123 226285208 /nfs/dbraw/zinc/28/52/08/226285208.db2.gz ZYWIYAIAFALVNB-BDAKNGLRSA-N 1 2 214.265 0.158 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000493559309 226243462 /nfs/dbraw/zinc/24/34/62/226243462.db2.gz QFHWNAAKHMGBBG-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nncs1 ZINC000493568926 226243952 /nfs/dbraw/zinc/24/39/52/226243952.db2.gz QOOSSZUOJQBURJ-OWOJBTEDSA-N 1 2 221.245 0.913 20 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C[C@@H](C[NH+]1CCOCC1)NC(=O)OC1CCC1 ZINC000496529418 226307497 /nfs/dbraw/zinc/30/74/97/226307497.db2.gz ONKABUJBHPZDNA-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)[C@H](C)CO1 ZINC000496580115 226308667 /nfs/dbraw/zinc/30/86/67/226308667.db2.gz GBMCIGYCXKGSJI-OPRDCNLKSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)[C@H](C)CO1 ZINC000496580115 226308668 /nfs/dbraw/zinc/30/86/68/226308668.db2.gz GBMCIGYCXKGSJI-OPRDCNLKSA-N 1 2 228.292 0.546 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000505668392 226358509 /nfs/dbraw/zinc/35/85/09/226358509.db2.gz ZIMDDPUGLZXVNY-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000505668392 226358510 /nfs/dbraw/zinc/35/85/10/226358510.db2.gz ZIMDDPUGLZXVNY-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO COC1(CO)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000401775691 226362204 /nfs/dbraw/zinc/36/22/04/226362204.db2.gz SCORBERFRGOOEW-UHFFFAOYSA-N 1 2 225.292 0.383 20 0 BCADLO Cc1nccc(C[N@@H+](CC(N)=O)CC(C)C)n1 ZINC000507357658 226368589 /nfs/dbraw/zinc/36/85/89/226368589.db2.gz JTCOZJYKHUTOJA-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1nccc(C[N@H+](CC(N)=O)CC(C)C)n1 ZINC000507357658 226368590 /nfs/dbraw/zinc/36/85/90/226368590.db2.gz JTCOZJYKHUTOJA-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725801 226287139 /nfs/dbraw/zinc/28/71/39/226287139.db2.gz GFJBQPCYQLLEKS-BDAKNGLRSA-N 1 2 226.276 0.348 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725801 226287140 /nfs/dbraw/zinc/28/71/40/226287140.db2.gz GFJBQPCYQLLEKS-BDAKNGLRSA-N 1 2 226.276 0.348 20 0 BCADLO CCn1cnnc1NC(=O)CCc1c[nH+]cn1C ZINC000557094805 322934156 /nfs/dbraw/zinc/93/41/56/322934156.db2.gz KAMDEEJAUKQLOR-UHFFFAOYSA-N 1 2 248.290 0.603 20 0 BCADLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000678047420 487663939 /nfs/dbraw/zinc/66/39/39/487663939.db2.gz SVPIIJMXETZCSX-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000678047420 487663943 /nfs/dbraw/zinc/66/39/43/487663943.db2.gz SVPIIJMXETZCSX-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897779 487668976 /nfs/dbraw/zinc/66/89/76/487668976.db2.gz GSYAIZLAVYRVMB-GFCCVEGCSA-N 1 2 248.326 0.964 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897779 487668979 /nfs/dbraw/zinc/66/89/79/487668979.db2.gz GSYAIZLAVYRVMB-GFCCVEGCSA-N 1 2 248.326 0.964 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557646436 322940448 /nfs/dbraw/zinc/94/04/48/322940448.db2.gz HMOMCDOPEBOJRH-MRVPVSSYSA-N 1 2 228.292 0.006 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCc2n[nH]cc21 ZINC000675140555 487673974 /nfs/dbraw/zinc/67/39/74/487673974.db2.gz NVVODAUXJSXCNE-SECBINFHSA-N 1 2 245.286 0.869 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCc2n[nH]cc21 ZINC000675140555 487673980 /nfs/dbraw/zinc/67/39/80/487673980.db2.gz NVVODAUXJSXCNE-SECBINFHSA-N 1 2 245.286 0.869 20 0 BCADLO CC[N@H+](CCOCCO)[C@H](C)c1nc(C)no1 ZINC000669695660 487687068 /nfs/dbraw/zinc/68/70/68/487687068.db2.gz CXMDBASOJQRXEW-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@H](C)c1nc(C)no1 ZINC000669695660 487687072 /nfs/dbraw/zinc/68/70/72/487687072.db2.gz CXMDBASOJQRXEW-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO C[N@H+](Cc1nnnn1C(C)(C)C)C(C)(C)CO ZINC000680986752 487687439 /nfs/dbraw/zinc/68/74/39/487687439.db2.gz OTODONIUMMZMRC-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO C[N@@H+](Cc1nnnn1C(C)(C)C)C(C)(C)CO ZINC000680986752 487687443 /nfs/dbraw/zinc/68/74/43/487687443.db2.gz OTODONIUMMZMRC-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000675285967 487688340 /nfs/dbraw/zinc/68/83/40/487688340.db2.gz FIPBLVSKAXCEAW-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000675285967 487688345 /nfs/dbraw/zinc/68/83/45/487688345.db2.gz FIPBLVSKAXCEAW-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1csnn1 ZINC000308900352 487693079 /nfs/dbraw/zinc/69/30/79/487693079.db2.gz BFPRBYWRWZXAPL-VIFPVBQESA-N 1 2 231.321 0.415 20 0 BCADLO O=C([C@@H]1CC12CCC2)N1CC[NH+](CCO)CC1 ZINC000675294011 487693341 /nfs/dbraw/zinc/69/33/41/487693341.db2.gz HFIYGOBXCNRPRC-NSHDSACASA-N 1 2 238.331 0.313 20 0 BCADLO O=C(C[NH2+]Cc1ccon1)NC1CCCC1 ZINC000088053886 487696310 /nfs/dbraw/zinc/69/63/10/487696310.db2.gz BVUDQDCGAUKSHJ-UHFFFAOYSA-N 1 2 223.276 0.823 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000527234567 262834934 /nfs/dbraw/zinc/83/49/34/262834934.db2.gz BCYASBGWVAGRRV-RKDXNWHRSA-N 1 2 203.257 0.570 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000527234567 262834935 /nfs/dbraw/zinc/83/49/35/262834935.db2.gz BCYASBGWVAGRRV-RKDXNWHRSA-N 1 2 203.257 0.570 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](C(N)=O)C1 ZINC000527884065 262890575 /nfs/dbraw/zinc/89/05/75/262890575.db2.gz GLBABYVULYWLNF-MRVPVSSYSA-N 1 2 221.260 0.402 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1CCCC[C@H]1O ZINC000245713571 487708616 /nfs/dbraw/zinc/70/86/16/487708616.db2.gz ZUOMEAOYJAKHID-RKDXNWHRSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1CCCC[C@H]1O ZINC000245713571 487708620 /nfs/dbraw/zinc/70/86/20/487708620.db2.gz ZUOMEAOYJAKHID-RKDXNWHRSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@@]([NH2+]Cc1cn[nH]c1)(C(N)=O)c1ccccc1 ZINC000683899235 487710668 /nfs/dbraw/zinc/71/06/68/487710668.db2.gz XBMJZHZINJXJBW-ZDUSSCGKSA-N 1 2 244.298 0.900 20 0 BCADLO CCc1nnc(C[N@H+](C)CCC(N)=O)s1 ZINC000671734965 487714616 /nfs/dbraw/zinc/71/46/16/487714616.db2.gz AKJZJPOUKMNTKG-UHFFFAOYSA-N 1 2 228.321 0.408 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCC(N)=O)s1 ZINC000671734965 487714622 /nfs/dbraw/zinc/71/46/22/487714622.db2.gz AKJZJPOUKMNTKG-UHFFFAOYSA-N 1 2 228.321 0.408 20 0 BCADLO CC(C)(C)OCCC[N@@H+]1CCNC(=O)C1 ZINC000674901795 487715566 /nfs/dbraw/zinc/71/55/66/487715566.db2.gz HUNIXQYLFKRJEW-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CC(C)(C)OCCC[N@H+]1CCNC(=O)C1 ZINC000674901795 487715571 /nfs/dbraw/zinc/71/55/71/487715571.db2.gz HUNIXQYLFKRJEW-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1nc(N[C@@H]2C=C[C@H](CO)C2)nc(N)[nH+]1 ZINC000631143695 487719977 /nfs/dbraw/zinc/71/99/77/487719977.db2.gz HSVGDUBHWSNBQN-JGVFFNPUSA-N 1 2 221.264 0.111 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000631143695 487719978 /nfs/dbraw/zinc/71/99/78/487719978.db2.gz HSVGDUBHWSNBQN-JGVFFNPUSA-N 1 2 221.264 0.111 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668419407 487720866 /nfs/dbraw/zinc/72/08/66/487720866.db2.gz BWMDXRJALGUKON-JZYVYDRUSA-N 1 2 218.256 0.643 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000669598500 487727072 /nfs/dbraw/zinc/72/70/72/487727072.db2.gz IGNCRURALVREKT-UHFFFAOYSA-N 1 2 234.303 0.638 20 0 BCADLO CCCCCNC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659342 487729078 /nfs/dbraw/zinc/72/90/78/487729078.db2.gz AAIVMWSPWMYHLF-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCCCCNC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659342 487729081 /nfs/dbraw/zinc/72/90/81/487729081.db2.gz AAIVMWSPWMYHLF-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO COC[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665688678 487730436 /nfs/dbraw/zinc/73/04/36/487730436.db2.gz UELQDLXFIBMKSX-SSDOTTSWSA-N 1 2 224.264 0.728 20 0 BCADLO COC[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665688678 487730438 /nfs/dbraw/zinc/73/04/38/487730438.db2.gz UELQDLXFIBMKSX-SSDOTTSWSA-N 1 2 224.264 0.728 20 0 BCADLO CO[C@H](C)CCNc1[nH+]cnc2c1OCCN2 ZINC000665697686 487733212 /nfs/dbraw/zinc/73/32/12/487733212.db2.gz USUKTXVVPCHNFC-MRVPVSSYSA-N 1 2 238.291 0.230 20 0 BCADLO CO[C@H](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697686 487733215 /nfs/dbraw/zinc/73/32/15/487733215.db2.gz USUKTXVVPCHNFC-MRVPVSSYSA-N 1 2 238.291 0.230 20 0 BCADLO COC[C@H](C)CNc1[nH+]cnc2c1OCCN2 ZINC000665695045 487733608 /nfs/dbraw/zinc/73/36/08/487733608.db2.gz UWDXWPSPXCCTKL-MRVPVSSYSA-N 1 2 238.291 0.975 20 0 BCADLO COC[C@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000665695045 487733612 /nfs/dbraw/zinc/73/36/12/487733612.db2.gz UWDXWPSPXCCTKL-MRVPVSSYSA-N 1 2 238.291 0.975 20 0 BCADLO COc1cc(C[NH2+]Cc2ncnn2C)ccn1 ZINC000088572211 487734491 /nfs/dbraw/zinc/73/44/91/487734491.db2.gz MICQVQSAJPFENF-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@@H](CCCO)Nc1nc[nH+]c2c1OCCN2 ZINC000665705924 487736639 /nfs/dbraw/zinc/73/66/39/487736639.db2.gz QVCGFDVVDWWINF-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO C[C@@H](CCCO)Nc1[nH+]cnc2c1OCCN2 ZINC000665705924 487736647 /nfs/dbraw/zinc/73/66/47/487736647.db2.gz QVCGFDVVDWWINF-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1O ZINC000665709723 487737211 /nfs/dbraw/zinc/73/72/11/487737211.db2.gz DTYUZRSNMLYTHV-HTQZYQBOSA-N 1 2 236.275 0.098 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1O ZINC000665709723 487737212 /nfs/dbraw/zinc/73/72/12/487737212.db2.gz DTYUZRSNMLYTHV-HTQZYQBOSA-N 1 2 236.275 0.098 20 0 BCADLO Cn1cc(CNc2nc[nH+]c3c2OCCN3)nn1 ZINC000665711040 487737237 /nfs/dbraw/zinc/73/72/37/487737237.db2.gz CXVCHFWVHWGVIZ-UHFFFAOYSA-N 1 2 247.262 0.022 20 0 BCADLO Cn1cc(CNc2[nH+]cnc3c2OCCN3)nn1 ZINC000665711040 487737238 /nfs/dbraw/zinc/73/72/38/487737238.db2.gz CXVCHFWVHWGVIZ-UHFFFAOYSA-N 1 2 247.262 0.022 20 0 BCADLO CN(CCCCO)c1nc[nH+]c2c1OCCN2 ZINC000665714104 487737303 /nfs/dbraw/zinc/73/73/03/487737303.db2.gz UHDVPMVNAYGZRK-UHFFFAOYSA-N 1 2 238.291 0.490 20 0 BCADLO CN(CCCCO)c1[nH+]cnc2c1OCCN2 ZINC000665714104 487737306 /nfs/dbraw/zinc/73/73/06/487737306.db2.gz UHDVPMVNAYGZRK-UHFFFAOYSA-N 1 2 238.291 0.490 20 0 BCADLO FCCCCNc1[nH+]cnc2c1OCCN2 ZINC000665720368 487739131 /nfs/dbraw/zinc/73/91/31/487739131.db2.gz WIZXBFXZKPIYTF-UHFFFAOYSA-N 1 2 226.255 0.555 20 0 BCADLO FCCCCNc1nc[nH+]c2c1OCCN2 ZINC000665720368 487739135 /nfs/dbraw/zinc/73/91/35/487739135.db2.gz WIZXBFXZKPIYTF-UHFFFAOYSA-N 1 2 226.255 0.555 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1ncnn1C(C)C ZINC000088589422 487738657 /nfs/dbraw/zinc/73/86/57/487738657.db2.gz BRCJOESEJGGCRM-UHFFFAOYSA-N 1 2 239.323 0.473 20 0 BCADLO c1nc(N2CCO[C@H]3C[C@H]32)c2c([nH+]1)NCCO2 ZINC000665720452 487739214 /nfs/dbraw/zinc/73/92/14/487739214.db2.gz FPKPXYASCXHSEM-SFYZADRCSA-N 1 2 234.259 0.258 20 0 BCADLO c1nc2c(c(N3CCO[C@H]4C[C@H]43)[nH+]1)OCCN2 ZINC000665720452 487739218 /nfs/dbraw/zinc/73/92/18/487739218.db2.gz FPKPXYASCXHSEM-SFYZADRCSA-N 1 2 234.259 0.258 20 0 BCADLO F[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665721527 487740036 /nfs/dbraw/zinc/74/00/36/487740036.db2.gz JETWDOKWZZKGGN-SSDOTTSWSA-N 1 2 224.239 0.829 20 0 BCADLO F[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665721527 487740041 /nfs/dbraw/zinc/74/00/41/487740041.db2.gz JETWDOKWZZKGGN-SSDOTTSWSA-N 1 2 224.239 0.829 20 0 BCADLO CC[C@H](Nc1nc[nH+]c2c1OCCN2)[C@@H](C)O ZINC000665722108 487740148 /nfs/dbraw/zinc/74/01/48/487740148.db2.gz RAYJQSWYJPCXQB-SFYZADRCSA-N 1 2 238.291 0.852 20 0 BCADLO CC[C@H](Nc1[nH+]cnc2c1OCCN2)[C@@H](C)O ZINC000665722108 487740151 /nfs/dbraw/zinc/74/01/51/487740151.db2.gz RAYJQSWYJPCXQB-SFYZADRCSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665722552 487740514 /nfs/dbraw/zinc/74/05/14/487740514.db2.gz UMXFDAYYSKTDTK-HTQZYQBOSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1[nH+]cnc2c1OCCN2 ZINC000665722552 487740515 /nfs/dbraw/zinc/74/05/15/487740515.db2.gz UMXFDAYYSKTDTK-HTQZYQBOSA-N 1 2 236.275 0.240 20 0 BCADLO CC[C@H]1C[N@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912825 487743153 /nfs/dbraw/zinc/74/31/53/487743153.db2.gz NJZDNIHNSGLMEK-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912825 487743161 /nfs/dbraw/zinc/74/31/61/487743161.db2.gz NJZDNIHNSGLMEK-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000675518152 487744355 /nfs/dbraw/zinc/74/43/55/487744355.db2.gz QKQDTHKYBBSKEP-QJPTWQEYSA-N 1 2 249.314 0.957 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(COC)o1 ZINC000678192134 487751680 /nfs/dbraw/zinc/75/16/80/487751680.db2.gz AZCFAUFKSWLNBU-UHFFFAOYSA-N 1 2 240.303 0.994 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(COC)o1 ZINC000678192134 487751682 /nfs/dbraw/zinc/75/16/82/487751682.db2.gz AZCFAUFKSWLNBU-UHFFFAOYSA-N 1 2 240.303 0.994 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621130 487753911 /nfs/dbraw/zinc/75/39/11/487753911.db2.gz PRNROZZINZFGBY-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO CCOc1cc(-n2c[nH+]c(CCCO)c2)ncn1 ZINC000681232277 487754071 /nfs/dbraw/zinc/75/40/71/487754071.db2.gz TZXCOLWRKIPSER-UHFFFAOYSA-N 1 2 248.286 0.986 20 0 BCADLO Cc1c[nH]nc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000669605786 487757831 /nfs/dbraw/zinc/75/78/31/487757831.db2.gz PNYQDJFEJRTSFB-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCOC1 ZINC000652079718 487761803 /nfs/dbraw/zinc/76/18/03/487761803.db2.gz OIBOQPSJSHHWJZ-UHFFFAOYSA-N 1 2 249.314 0.968 20 0 BCADLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C1(O)CCC1 ZINC000681260452 487762597 /nfs/dbraw/zinc/76/25/97/487762597.db2.gz VWQXBCMOEFGHEF-UHFFFAOYSA-N 1 2 248.282 0.586 20 0 BCADLO Cc1nc(N(C)CC[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000675720788 487769207 /nfs/dbraw/zinc/76/92/07/487769207.db2.gz LJWSMBHUIDFZEM-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CC[C@@H](C)O)[nH+]1 ZINC000675720788 487769210 /nfs/dbraw/zinc/76/92/10/487769210.db2.gz LJWSMBHUIDFZEM-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)CC[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000675720789 487769489 /nfs/dbraw/zinc/76/94/89/487769489.db2.gz LJWSMBHUIDFZEM-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CC[C@H](C)O)[nH+]1 ZINC000675720789 487769493 /nfs/dbraw/zinc/76/94/93/487769493.db2.gz LJWSMBHUIDFZEM-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(C)COC1)C2 ZINC000364690013 487774515 /nfs/dbraw/zinc/77/45/15/487774515.db2.gz HSEYDBDCXHNRQF-SNVBAGLBSA-N 1 2 249.314 0.659 20 0 BCADLO O=C1C[N@@H+](CCF)[C@@H]2CCCC[C@@H]2N1 ZINC000759370764 585371483 /nfs/dbraw/zinc/37/14/83/585371483.db2.gz HGGFEJYUUANJGJ-DTWKUNHWSA-N 1 2 200.257 0.699 20 0 BCADLO O=C1C[N@H+](CCF)[C@@H]2CCCC[C@@H]2N1 ZINC000759370764 585371484 /nfs/dbraw/zinc/37/14/84/585371484.db2.gz HGGFEJYUUANJGJ-DTWKUNHWSA-N 1 2 200.257 0.699 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000652097628 487778217 /nfs/dbraw/zinc/77/82/17/487778217.db2.gz MVNUMUBOYWTTQE-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)Cn1cccn1 ZINC000681363763 487784765 /nfs/dbraw/zinc/78/47/65/487784765.db2.gz WLLFFOIRCRNCNX-UHFFFAOYSA-N 1 2 245.286 0.405 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)co1 ZINC000670233153 487786377 /nfs/dbraw/zinc/78/63/77/487786377.db2.gz CPNCGCRBFNOZCB-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnn(C)c1C ZINC000675884503 487786132 /nfs/dbraw/zinc/78/61/32/487786132.db2.gz NBWYYONRPPQCMS-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnn(C)c1C ZINC000675884503 487786136 /nfs/dbraw/zinc/78/61/36/487786136.db2.gz NBWYYONRPPQCMS-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CCc1nocc1C(=O)NCCn1cc[nH+]c1 ZINC000666352680 487792003 /nfs/dbraw/zinc/79/20/03/487792003.db2.gz ZQQQVOOMEMYBSU-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO CC(C)NS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000408142618 487799333 /nfs/dbraw/zinc/79/93/33/487799333.db2.gz QQZIWPHULKHFDE-UHFFFAOYSA-N 1 2 247.364 0.009 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](O)C1)n1cc[nH+]c1 ZINC000651632183 487804501 /nfs/dbraw/zinc/80/45/01/487804501.db2.gz GVABJUIKUFFHLC-OUAUKWLOSA-N 1 2 237.303 0.673 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn(C)n1 ZINC000676065924 487807164 /nfs/dbraw/zinc/80/71/64/487807164.db2.gz ONJDLBVZOHJDLI-UHFFFAOYSA-N 1 2 247.302 0.779 20 0 BCADLO Cc1nc(N2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000676078646 487810001 /nfs/dbraw/zinc/81/00/01/487810001.db2.gz KPOQPKWZBCGOHT-SSDOTTSWSA-N 1 2 207.281 0.845 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@H]2C)[nH+]1 ZINC000676078646 487810007 /nfs/dbraw/zinc/81/00/07/487810007.db2.gz KPOQPKWZBCGOHT-SSDOTTSWSA-N 1 2 207.281 0.845 20 0 BCADLO COC[C@@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666449981 487813395 /nfs/dbraw/zinc/81/33/95/487813395.db2.gz KUYLKNWEMJGFMF-VHSXEESVSA-N 1 2 241.291 0.049 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551289 487813438 /nfs/dbraw/zinc/81/34/38/487813438.db2.gz DNXIWYUHAPRYRT-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1CC1 ZINC000083140944 487816388 /nfs/dbraw/zinc/81/63/88/487816388.db2.gz FODXMEGVUYCWAL-UHFFFAOYSA-N 1 2 229.305 0.581 20 0 BCADLO CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681578491 487817343 /nfs/dbraw/zinc/81/73/43/487817343.db2.gz DFEJDVWKXSAMBV-VIFPVBQESA-N 1 2 207.277 0.924 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481754 487818211 /nfs/dbraw/zinc/81/82/11/487818211.db2.gz RANXJUSSPLXTQS-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481754 487818214 /nfs/dbraw/zinc/81/82/14/487818214.db2.gz RANXJUSSPLXTQS-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC000666489195 487820912 /nfs/dbraw/zinc/82/09/12/487820912.db2.gz CJJNDWYWQVEKLN-JTQLQIEISA-N 1 2 248.286 0.212 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681603378 487821274 /nfs/dbraw/zinc/82/12/74/487821274.db2.gz CNEDEBWWAUZFSQ-WCBMZHEXSA-N 1 2 248.290 0.978 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681603378 487821278 /nfs/dbraw/zinc/82/12/78/487821278.db2.gz CNEDEBWWAUZFSQ-WCBMZHEXSA-N 1 2 248.290 0.978 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)nn1C ZINC000681603446 487821633 /nfs/dbraw/zinc/82/16/33/487821633.db2.gz FOJXLCGZPGLPOD-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)nn1C ZINC000681603446 487821627 /nfs/dbraw/zinc/82/16/27/487821627.db2.gz FOJXLCGZPGLPOD-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782584127 585820565 /nfs/dbraw/zinc/82/05/65/585820565.db2.gz ILOGJWNRLLLNSO-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782584127 585820566 /nfs/dbraw/zinc/82/05/66/585820566.db2.gz ILOGJWNRLLLNSO-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO O=c1[nH]nc(SCC[NH+]2CCCC2)[nH]1 ZINC000789965518 585955043 /nfs/dbraw/zinc/95/50/43/585955043.db2.gz AFZUKZCCHMCEOA-UHFFFAOYSA-N 1 2 214.294 0.698 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676262421 487829560 /nfs/dbraw/zinc/82/95/60/487829560.db2.gz YSOTVMKNMAGTSS-QWRGUYRKSA-N 1 2 242.319 0.191 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262421 487829564 /nfs/dbraw/zinc/82/95/64/487829564.db2.gz YSOTVMKNMAGTSS-QWRGUYRKSA-N 1 2 242.319 0.191 20 0 BCADLO Cc1c(C[N@H+](C)CC[S@](C)=O)cnn1C ZINC000828444900 587442806 /nfs/dbraw/zinc/44/28/06/587442806.db2.gz SNVFRBSMOYKPKG-HNNXBMFYSA-N 1 2 229.349 0.539 20 0 BCADLO Cc1c(C[N@@H+](C)CC[S@](C)=O)cnn1C ZINC000828444900 587442807 /nfs/dbraw/zinc/44/28/07/587442807.db2.gz SNVFRBSMOYKPKG-HNNXBMFYSA-N 1 2 229.349 0.539 20 0 BCADLO CCO/C=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000493193125 528525208 /nfs/dbraw/zinc/52/52/08/528525208.db2.gz SCQVRONMONBWTI-ALCCZGGFSA-N 1 2 223.276 0.629 20 0 BCADLO Cc1noc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000666601737 487839531 /nfs/dbraw/zinc/83/95/31/487839531.db2.gz VKAAPHKSRLIGOD-UHFFFAOYSA-N 1 2 236.235 0.765 20 0 BCADLO Cc1noc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000666601737 487839535 /nfs/dbraw/zinc/83/95/35/487839535.db2.gz VKAAPHKSRLIGOD-UHFFFAOYSA-N 1 2 236.235 0.765 20 0 BCADLO OCC[C@@H]1CN(CCF)CC[N@@H+]1CCF ZINC000846925774 588297089 /nfs/dbraw/zinc/29/70/89/588297089.db2.gz PKJSAFOHKBCUKR-SNVBAGLBSA-N 1 2 222.279 0.294 20 0 BCADLO OCC[C@@H]1CN(CCF)CC[N@H+]1CCF ZINC000846925774 588297090 /nfs/dbraw/zinc/29/70/90/588297090.db2.gz PKJSAFOHKBCUKR-SNVBAGLBSA-N 1 2 222.279 0.294 20 0 BCADLO OCC[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000846925774 588297091 /nfs/dbraw/zinc/29/70/91/588297091.db2.gz PKJSAFOHKBCUKR-SNVBAGLBSA-N 1 2 222.279 0.294 20 0 BCADLO OCC[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000846925774 588297092 /nfs/dbraw/zinc/29/70/92/588297092.db2.gz PKJSAFOHKBCUKR-SNVBAGLBSA-N 1 2 222.279 0.294 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cnsn1 ZINC000846992928 588300489 /nfs/dbraw/zinc/30/04/89/588300489.db2.gz OIRBRSNSYMAQMC-JGVFFNPUSA-N 1 2 215.278 0.042 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000371571810 487840623 /nfs/dbraw/zinc/84/06/23/487840623.db2.gz MQZQSJAZCLVMPC-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000371571810 487840629 /nfs/dbraw/zinc/84/06/29/487840629.db2.gz MQZQSJAZCLVMPC-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO CC(C)(C)c1nc(NCCn2ncnn2)cc[nH+]1 ZINC000676353150 487841741 /nfs/dbraw/zinc/84/17/41/487841741.db2.gz WBOCBBOZCSUAGC-UHFFFAOYSA-N 1 2 247.306 0.873 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493819584 528872251 /nfs/dbraw/zinc/87/22/51/528872251.db2.gz JZSFGBNZVRPVAM-RXNFCKPNSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)n1cccn1 ZINC000668994995 487843003 /nfs/dbraw/zinc/84/30/03/487843003.db2.gz DGOKNAUWVWKSOR-UHFFFAOYSA-N 1 2 233.275 0.658 20 0 BCADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)n1cccn1 ZINC000668994995 487843006 /nfs/dbraw/zinc/84/30/06/487843006.db2.gz DGOKNAUWVWKSOR-UHFFFAOYSA-N 1 2 233.275 0.658 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000668995526 487843987 /nfs/dbraw/zinc/84/39/87/487843987.db2.gz NHDHNLQRNFSNJV-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000668995526 487843990 /nfs/dbraw/zinc/84/39/90/487843990.db2.gz NHDHNLQRNFSNJV-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)CC[C@@H]1O ZINC000681708096 487844412 /nfs/dbraw/zinc/84/44/12/487844412.db2.gz RWBAHHUNFIZGQM-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)CC[C@@H]1O ZINC000681708096 487844416 /nfs/dbraw/zinc/84/44/16/487844416.db2.gz RWBAHHUNFIZGQM-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO CC(C)(C)n1nnc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000668995532 487844152 /nfs/dbraw/zinc/84/41/52/487844152.db2.gz NJKKPOPRBUQKQB-UHFFFAOYSA-N 1 2 249.278 0.081 20 0 BCADLO CC(C)(C)n1nnc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000668995532 487844154 /nfs/dbraw/zinc/84/41/54/487844154.db2.gz NJKKPOPRBUQKQB-UHFFFAOYSA-N 1 2 249.278 0.081 20 0 BCADLO CCn1cnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000668996184 487845251 /nfs/dbraw/zinc/84/52/51/487845251.db2.gz WDQMDSYQXNIDNV-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1cnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000668996184 487845259 /nfs/dbraw/zinc/84/52/59/487845259.db2.gz WDQMDSYQXNIDNV-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCOCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666620819 487846349 /nfs/dbraw/zinc/84/63/49/487846349.db2.gz YUTWAPAYUBCDPK-VIFPVBQESA-N 1 2 237.303 0.667 20 0 BCADLO CCOCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666620819 487846354 /nfs/dbraw/zinc/84/63/54/487846354.db2.gz YUTWAPAYUBCDPK-VIFPVBQESA-N 1 2 237.303 0.667 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000674468612 487846701 /nfs/dbraw/zinc/84/67/01/487846701.db2.gz ZFHNXBXEKOJXJN-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000674468612 487846703 /nfs/dbraw/zinc/84/67/03/487846703.db2.gz ZFHNXBXEKOJXJN-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681746711 487851535 /nfs/dbraw/zinc/85/15/35/487851535.db2.gz XLZGYYNSGGTKOX-GUBZILKMSA-N 1 2 219.288 0.970 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCOC1 ZINC000558704504 322954135 /nfs/dbraw/zinc/95/41/35/322954135.db2.gz GXCARCZNEPZNEM-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000681795784 487863312 /nfs/dbraw/zinc/86/33/12/487863312.db2.gz OJVSRWIESPUQPD-CYBMUJFWSA-N 1 2 249.314 0.602 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)c1nc[nH]n1 ZINC000676527950 487866021 /nfs/dbraw/zinc/86/60/21/487866021.db2.gz JMOLMMVDCDVMNR-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000668512397 487871650 /nfs/dbraw/zinc/87/16/50/487871650.db2.gz QKEHOSOHNWHBIV-UHFFFAOYSA-N 1 2 244.726 0.608 20 0 BCADLO Cc1nc(N2CC(F)(F)C[C@@H]2CO)cc[nH+]1 ZINC000681996260 487877233 /nfs/dbraw/zinc/87/72/33/487877233.db2.gz MLILOJWFGSLREF-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO C[C@@H](CNC(=O)[C@H](O)C1CC1)Cn1cc[nH+]c1 ZINC000669019904 487884719 /nfs/dbraw/zinc/88/47/19/487884719.db2.gz ZHTRXOJHBJARHD-GXSJLCMTSA-N 1 2 237.303 0.406 20 0 BCADLO C[C@@H](CF)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000479291698 533700031 /nfs/dbraw/zinc/70/00/31/533700031.db2.gz VDRIOVZWYHEIMC-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)[C@H](CC)CO1 ZINC000403802495 487891333 /nfs/dbraw/zinc/89/13/33/487891333.db2.gz IOGMNUNCITYWEW-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)[C@H](CC)CO1 ZINC000403802495 487891337 /nfs/dbraw/zinc/89/13/37/487891337.db2.gz IOGMNUNCITYWEW-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666884652 487896805 /nfs/dbraw/zinc/89/68/05/487896805.db2.gz RWOUYQMQZVBOMH-SECBINFHSA-N 1 2 237.303 0.619 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666884652 487896809 /nfs/dbraw/zinc/89/68/09/487896809.db2.gz RWOUYQMQZVBOMH-SECBINFHSA-N 1 2 237.303 0.619 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)NCCc1[nH]cc[nH+]1 ZINC000668535565 487898131 /nfs/dbraw/zinc/89/81/31/487898131.db2.gz HZFXMMZLYDJBTQ-ZANVPECISA-N 1 2 249.314 0.884 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1nncn1C ZINC000676710792 487898755 /nfs/dbraw/zinc/89/87/55/487898755.db2.gz KESVUPTYUOSDBF-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1nncn1C ZINC000676710792 487898759 /nfs/dbraw/zinc/89/87/59/487898759.db2.gz KESVUPTYUOSDBF-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000090126753 487905984 /nfs/dbraw/zinc/90/59/84/487905984.db2.gz ISJQNCHMFLCVLI-UHFFFAOYSA-N 1 2 236.319 0.370 20 0 BCADLO CCC[C@@H](O)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000676747760 487915765 /nfs/dbraw/zinc/91/57/65/487915765.db2.gz FJRYPKVCPWYYQE-SECBINFHSA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1c[nH+]c[nH]1 ZINC000676754102 487919809 /nfs/dbraw/zinc/91/98/09/487919809.db2.gz NHMVLDFSUJTGRM-VIFPVBQESA-N 1 2 211.265 0.577 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1c[nH]c[nH+]1 ZINC000676754102 487919813 /nfs/dbraw/zinc/91/98/13/487919813.db2.gz NHMVLDFSUJTGRM-VIFPVBQESA-N 1 2 211.265 0.577 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682164928 487921161 /nfs/dbraw/zinc/92/11/61/487921161.db2.gz DAWNEJDXOBQDKN-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682164928 487921169 /nfs/dbraw/zinc/92/11/69/487921169.db2.gz DAWNEJDXOBQDKN-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H](O)C1CC1 ZINC000667000547 487921633 /nfs/dbraw/zinc/92/16/33/487921633.db2.gz GKEKUSWXNKMGRW-JTQLQIEISA-N 1 2 235.287 0.857 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682164931 487921794 /nfs/dbraw/zinc/92/17/94/487921794.db2.gz DAWNEJDXOBQDKN-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682164931 487921798 /nfs/dbraw/zinc/92/17/98/487921798.db2.gz DAWNEJDXOBQDKN-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCNC1=O ZINC000667000569 487926338 /nfs/dbraw/zinc/92/63/38/487926338.db2.gz HHUIDPJKYRIDSC-MRVPVSSYSA-N 1 2 248.286 0.222 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795325 487931216 /nfs/dbraw/zinc/93/12/16/487931216.db2.gz IOZKGOMOYWEREB-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO O=C1CCCN1CCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676795325 487931221 /nfs/dbraw/zinc/93/12/21/487931221.db2.gz IOZKGOMOYWEREB-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676795325 487931225 /nfs/dbraw/zinc/93/12/25/487931225.db2.gz IOZKGOMOYWEREB-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO O=C1CCCN1CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676795325 487931230 /nfs/dbraw/zinc/93/12/30/487931230.db2.gz IOZKGOMOYWEREB-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676798871 487932795 /nfs/dbraw/zinc/93/27/95/487932795.db2.gz ZISSJXHUDPRGHA-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ncnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000676798871 487932798 /nfs/dbraw/zinc/93/27/98/487932798.db2.gz ZISSJXHUDPRGHA-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCc2ncccc2C1 ZINC000676828052 487934354 /nfs/dbraw/zinc/93/43/54/487934354.db2.gz OMHUQDHCWPJDPG-UHFFFAOYSA-N 1 2 242.282 0.863 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000682245510 487934931 /nfs/dbraw/zinc/93/49/31/487934931.db2.gz AXQWKZWLEODIAR-GXSJLCMTSA-N 1 2 225.292 0.645 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000682245510 487934934 /nfs/dbraw/zinc/93/49/34/487934934.db2.gz AXQWKZWLEODIAR-GXSJLCMTSA-N 1 2 225.292 0.645 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)O1 ZINC000408195834 487936811 /nfs/dbraw/zinc/93/68/11/487936811.db2.gz VJBUDQBBWDJOKV-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)O1 ZINC000408195834 487936815 /nfs/dbraw/zinc/93/68/15/487936815.db2.gz VJBUDQBBWDJOKV-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cncc(C)c1 ZINC000682366345 487940228 /nfs/dbraw/zinc/94/02/28/487940228.db2.gz FKSMJIDBZBNBDK-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cncc(C)c1 ZINC000682366345 487940230 /nfs/dbraw/zinc/94/02/30/487940230.db2.gz FKSMJIDBZBNBDK-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO C[C@@H](CC(=O)N1CC(C)(CO)C1)n1cc[nH+]c1 ZINC000652401782 487944468 /nfs/dbraw/zinc/94/44/68/487944468.db2.gz BFCKFEHFDDITHH-JTQLQIEISA-N 1 2 237.303 0.675 20 0 BCADLO NC(=O)c1cc(C[NH2+]Cc2ccc(O)cc2)on1 ZINC000682407425 487950406 /nfs/dbraw/zinc/95/04/06/487950406.db2.gz PTECBKBUKQMWBR-UHFFFAOYSA-N 1 2 247.254 0.769 20 0 BCADLO COC(=O)COC[C@@H](C)Nc1c[nH]c[nH+]1 ZINC000568718296 322938731 /nfs/dbraw/zinc/93/87/31/322938731.db2.gz VIQOVZHNEQGJEP-SSDOTTSWSA-N 1 2 213.237 0.400 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2cc3n(n2)CCC3)C1 ZINC000569590416 322971622 /nfs/dbraw/zinc/97/16/22/322971622.db2.gz LTXXTGFNRXQWMG-SECBINFHSA-N 1 2 248.330 0.711 20 0 BCADLO [NH3+]CCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000564947121 322976808 /nfs/dbraw/zinc/97/68/08/322976808.db2.gz SZRUPRKZDMBSSB-UHFFFAOYSA-N 1 2 230.214 0.749 20 0 BCADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)n(C)n1 ZINC000126518417 323003847 /nfs/dbraw/zinc/00/38/47/323003847.db2.gz HCUOPLKWAJPGCQ-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO COc1cc(NCc2[nH+]ccn2C)nn1C ZINC000300785896 323004077 /nfs/dbraw/zinc/00/40/77/323004077.db2.gz WVVDVLMAHMGHKY-UHFFFAOYSA-N 1 2 221.264 0.774 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](C(N)=O)C1 ZINC000562120774 323012371 /nfs/dbraw/zinc/01/23/71/323012371.db2.gz VKNFKJLOGPHYDD-SNVBAGLBSA-N 1 2 234.303 0.795 20 0 BCADLO C[C@H]1OCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000562276968 323014574 /nfs/dbraw/zinc/01/45/74/323014574.db2.gz ZHQGYGFMXOBHSU-NXEZZACHSA-N 1 2 223.276 0.519 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000562376762 323018483 /nfs/dbraw/zinc/01/84/83/323018483.db2.gz DUFZMSNLPPPJHZ-PSASIEDQSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000562376762 323018484 /nfs/dbraw/zinc/01/84/84/323018484.db2.gz DUFZMSNLPPPJHZ-PSASIEDQSA-N 1 2 224.308 0.706 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000562681130 323027092 /nfs/dbraw/zinc/02/70/92/323027092.db2.gz YYZZKDYHWNKGEK-LBPRGKRZSA-N 1 2 237.303 0.884 20 0 BCADLO COCc1cc(C[NH+]2CC(C)(C(N)=O)C2)no1 ZINC000569694579 323037262 /nfs/dbraw/zinc/03/72/62/323037262.db2.gz AETVDYZLNWJDRY-UHFFFAOYSA-N 1 2 239.275 0.128 20 0 BCADLO Cc1nsc(C)c1C[N@H+](C)CC(N)=O ZINC000569706348 323037879 /nfs/dbraw/zinc/03/78/79/323037879.db2.gz NEDPFCPDMQZBBU-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO Cc1nsc(C)c1C[N@@H+](C)CC(N)=O ZINC000569706348 323037880 /nfs/dbraw/zinc/03/78/80/323037880.db2.gz NEDPFCPDMQZBBU-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO C[C@@H](O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000569982258 323046385 /nfs/dbraw/zinc/04/63/85/323046385.db2.gz DDRXTOBKBISTMC-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC000570024791 323047570 /nfs/dbraw/zinc/04/75/70/323047570.db2.gz OOCIZPZBWHUEIG-ZETCQYMHSA-N 1 2 246.274 0.597 20 0 BCADLO Cn1cccc1CNC(=O)Cn1cc[nH+]c1 ZINC000570214348 323052692 /nfs/dbraw/zinc/05/26/92/323052692.db2.gz DNGMCGPHOOJDAU-UHFFFAOYSA-N 1 2 218.260 0.538 20 0 BCADLO O=C(Nc1ccc2nncn2c1)[C@H]1CSC[NH2+]1 ZINC000570515523 323061555 /nfs/dbraw/zinc/06/15/55/323061555.db2.gz ZNMRQTUCSYJNNI-MRVPVSSYSA-N 1 2 249.299 0.330 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000570716093 323068436 /nfs/dbraw/zinc/06/84/36/323068436.db2.gz YTOYKHRQFYDYSJ-NXEZZACHSA-N 1 2 226.276 0.795 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCOCC1 ZINC000493457168 323085891 /nfs/dbraw/zinc/08/58/91/323085891.db2.gz PIIVMEDXKWVSHS-NSCUHMNNSA-N 1 2 221.260 0.672 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)no1 ZINC000068940247 323087019 /nfs/dbraw/zinc/08/70/19/323087019.db2.gz TVGFWSFZKFYPOK-VIFPVBQESA-N 1 2 244.316 0.650 20 0 BCADLO CC(C)N(CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000531288277 323087044 /nfs/dbraw/zinc/08/70/44/323087044.db2.gz MTQQSLSWHMGQMA-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)N(CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000531288277 323087045 /nfs/dbraw/zinc/08/70/45/323087045.db2.gz MTQQSLSWHMGQMA-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@@H](CO)O1 ZINC000527303554 323091576 /nfs/dbraw/zinc/09/15/76/323091576.db2.gz WVQAKTDGKTZMQC-SKDRFNHKSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@@H](CO)O1 ZINC000527303554 323091577 /nfs/dbraw/zinc/09/15/77/323091577.db2.gz WVQAKTDGKTZMQC-SKDRFNHKSA-N 1 2 241.287 0.354 20 0 BCADLO COC[C@@H](C)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531493913 323098676 /nfs/dbraw/zinc/09/86/76/323098676.db2.gz FKQIHWLJMSTCOX-SECBINFHSA-N 1 2 224.308 0.691 20 0 BCADLO COC[C@@H](C)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531493913 323098677 /nfs/dbraw/zinc/09/86/77/323098677.db2.gz FKQIHWLJMSTCOX-SECBINFHSA-N 1 2 224.308 0.691 20 0 BCADLO COCC[N@H+](C)Cc1snnc1C ZINC000563215471 323102859 /nfs/dbraw/zinc/10/28/59/323102859.db2.gz CEQDCAAHPRZGMQ-UHFFFAOYSA-N 1 2 201.295 0.925 20 0 BCADLO COCC[N@@H+](C)Cc1snnc1C ZINC000563215471 323102860 /nfs/dbraw/zinc/10/28/60/323102860.db2.gz CEQDCAAHPRZGMQ-UHFFFAOYSA-N 1 2 201.295 0.925 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)CC(N)=O)n1cc[nH+]c1 ZINC000563217071 323103675 /nfs/dbraw/zinc/10/36/75/323103675.db2.gz KWJJFFAJDYQHCW-DTWKUNHWSA-N 1 2 238.291 0.214 20 0 BCADLO COc1ccc[nH+]c1NCc1ncn(C)n1 ZINC000234950752 323105681 /nfs/dbraw/zinc/10/56/81/323105681.db2.gz FQXHZYFEKAVVNQ-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(O)CCCC1 ZINC000565434362 323107032 /nfs/dbraw/zinc/10/70/32/323107032.db2.gz UUNUZKCAPNVJEP-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CCOC[C@H](O)C[N@H+](CC)CC(=O)OCC ZINC000069280135 323111145 /nfs/dbraw/zinc/11/11/45/323111145.db2.gz VMAOQHFEOWWVIZ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOC[C@H](O)C[N@@H+](CC)CC(=O)OCC ZINC000069280135 323111146 /nfs/dbraw/zinc/11/11/46/323111146.db2.gz VMAOQHFEOWWVIZ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000048167257 323116165 /nfs/dbraw/zinc/11/61/65/323116165.db2.gz QBCQGFOPAJPQMK-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO CCC[C@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563390082 323121814 /nfs/dbraw/zinc/12/18/14/323121814.db2.gz MQSAHLRDWKCCJW-CYBMUJFWSA-N 1 2 242.363 0.996 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563386481 323122276 /nfs/dbraw/zinc/12/22/76/323122276.db2.gz IRQXYPAUGKNYKG-UWVGGRQHSA-N 1 2 228.336 0.868 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCc2c[nH]nc21 ZINC000563490598 323127711 /nfs/dbraw/zinc/12/77/11/323127711.db2.gz NNBOOGWHDKPFCT-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO COCC(COC)NCc1[nH]c(C)c(C)[nH+]1 ZINC000563550770 323129889 /nfs/dbraw/zinc/12/98/89/323129889.db2.gz UBHKHKZLPMHEGK-UHFFFAOYSA-N 1 2 227.308 0.778 20 0 BCADLO Cc1cc[nH+]c(N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC000563538919 323130119 /nfs/dbraw/zinc/13/01/19/323130119.db2.gz LDCJWEAZOVYPEZ-NSHDSACASA-N 1 2 249.314 0.843 20 0 BCADLO Cc1cc[nH+]c(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC000563538919 323130120 /nfs/dbraw/zinc/13/01/20/323130120.db2.gz LDCJWEAZOVYPEZ-NSHDSACASA-N 1 2 249.314 0.843 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nn[nH]n2)[C@H](C)C1 ZINC000571279305 323139988 /nfs/dbraw/zinc/13/99/88/323139988.db2.gz JMRDYGAHWYYBHF-HTQZYQBOSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nn[nH]n2)[C@H](C)C1 ZINC000571279305 323139989 /nfs/dbraw/zinc/13/99/89/323139989.db2.gz JMRDYGAHWYYBHF-HTQZYQBOSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C[C@@H]1C ZINC000571415610 323144277 /nfs/dbraw/zinc/14/42/77/323144277.db2.gz BXEBMJGRBFMCDW-WCABBAIRSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)C[C@@H]1C ZINC000571415610 323144278 /nfs/dbraw/zinc/14/42/78/323144278.db2.gz BXEBMJGRBFMCDW-WCABBAIRSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCO ZINC000571417551 323144428 /nfs/dbraw/zinc/14/44/28/323144428.db2.gz RHDURNBLMJYDDI-VIFPVBQESA-N 1 2 225.292 0.429 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCO ZINC000571417551 323144429 /nfs/dbraw/zinc/14/44/29/323144429.db2.gz RHDURNBLMJYDDI-VIFPVBQESA-N 1 2 225.292 0.429 20 0 BCADLO Cc1cc(CNC(=O)NCCn2cc[nH+]c2)no1 ZINC000049371041 323159843 /nfs/dbraw/zinc/15/98/43/323159843.db2.gz CONUOMFAAFFYKD-UHFFFAOYSA-N 1 2 249.274 0.679 20 0 BCADLO Cc1cc(NC(=O)CN2CCCC2=O)c(C)c[nH+]1 ZINC000535036642 323164352 /nfs/dbraw/zinc/16/43/52/323164352.db2.gz YXEVQNBYPBUASG-UHFFFAOYSA-N 1 2 247.298 0.681 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC000050051399 323165158 /nfs/dbraw/zinc/16/51/58/323165158.db2.gz ZXXZLCRHBHLMTR-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCOC(=O)CN(CC)CCn1cc[nH+]c1 ZINC000050051399 323165160 /nfs/dbraw/zinc/16/51/60/323165160.db2.gz ZXXZLCRHBHLMTR-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000563780546 323177613 /nfs/dbraw/zinc/17/76/13/323177613.db2.gz XUZKACDULSHMJL-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000563780546 323177614 /nfs/dbraw/zinc/17/76/14/323177614.db2.gz XUZKACDULSHMJL-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)[C@@H]1CCOC1 ZINC000563848700 323180645 /nfs/dbraw/zinc/18/06/45/323180645.db2.gz CELDKZJJWHFSCS-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)[C@@H]1CCOC1 ZINC000563848700 323180646 /nfs/dbraw/zinc/18/06/46/323180646.db2.gz CELDKZJJWHFSCS-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO COC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000308935549 323182014 /nfs/dbraw/zinc/18/20/14/323182014.db2.gz KSXLKKQSBKENEC-JTQLQIEISA-N 1 2 215.293 0.690 20 0 BCADLO Cc1cc(NC(=O)N(C)CCO)c(C)c[nH+]1 ZINC000535773027 323190860 /nfs/dbraw/zinc/19/08/60/323190860.db2.gz YHDUQPKTDCAEQT-UHFFFAOYSA-N 1 2 223.276 0.576 20 0 BCADLO Cc1ccnc(C[NH2+]C(C)(C)C(=O)N(C)C)n1 ZINC000535964788 323194884 /nfs/dbraw/zinc/19/48/84/323194884.db2.gz VROFAKDOQFQHKH-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO CC[C@H](C(=O)OC)[NH+]1CCSCC1 ZINC000041366724 323207558 /nfs/dbraw/zinc/20/75/58/323207558.db2.gz HUZPZIIIZGTINJ-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N)c1 ZINC000083885764 487957647 /nfs/dbraw/zinc/95/76/47/487957647.db2.gz ICZQVCRYFSOGRR-LBPRGKRZSA-N 1 2 249.314 0.329 20 0 BCADLO CC[N@H+](CCNC(=O)NC(C)C)CC(=O)OC ZINC000571674200 323320679 /nfs/dbraw/zinc/32/06/79/323320679.db2.gz PTETXBVJTYXQBO-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO CC[N@@H+](CCNC(=O)NC(C)C)CC(=O)OC ZINC000571674200 323320681 /nfs/dbraw/zinc/32/06/81/323320681.db2.gz PTETXBVJTYXQBO-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000563921080 323322705 /nfs/dbraw/zinc/32/27/05/323322705.db2.gz XCUZHCIUEYMMGD-ZJUUUORDSA-N 1 2 237.303 0.238 20 0 BCADLO COC(=O)[C@H]([NH2+]CCn1cncn1)C(C)C ZINC000309211624 323329291 /nfs/dbraw/zinc/32/92/91/323329291.db2.gz OCJGUUWIJAXBLY-SECBINFHSA-N 1 2 226.280 0.065 20 0 BCADLO Cc1cc(NCCc2nnc(N)o2)nc[nH+]1 ZINC000309239155 323333848 /nfs/dbraw/zinc/33/38/48/323333848.db2.gz AAKUKIXDGFGTIM-UHFFFAOYSA-N 1 2 220.236 0.405 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2CCC2)c[nH+]1 ZINC000309270234 323337551 /nfs/dbraw/zinc/33/75/51/323337551.db2.gz KSRNAMGAIHEAEO-UHFFFAOYSA-N 1 2 220.276 0.784 20 0 BCADLO Cc1[nH]c(C(=O)NCCCCC(N)=O)c[nH+]1 ZINC000536799223 323385837 /nfs/dbraw/zinc/38/58/37/323385837.db2.gz AMDXDNKCDXSNKF-UHFFFAOYSA-N 1 2 224.264 0.104 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N)c1 ZINC000083885764 487957653 /nfs/dbraw/zinc/95/76/53/487957653.db2.gz ICZQVCRYFSOGRR-LBPRGKRZSA-N 1 2 249.314 0.329 20 0 BCADLO CC[C@](C)(CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC000572376270 323614517 /nfs/dbraw/zinc/61/45/17/323614517.db2.gz FDFIPVKAOIDHFX-GFCCVEGCSA-N 1 2 237.303 0.634 20 0 BCADLO COc1ccnc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000677049598 487960062 /nfs/dbraw/zinc/96/00/62/487960062.db2.gz YOTLTDBFVPAYPL-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO C[C@H](O)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667251088 487961867 /nfs/dbraw/zinc/96/18/67/487961867.db2.gz CILUBMRVXRFSGO-YUMQZZPRSA-N 1 2 226.280 0.161 20 0 BCADLO C[C@@H](NC(=O)N(C)[C@H](C)CO)c1[nH+]ccn1C ZINC000667250836 487961940 /nfs/dbraw/zinc/96/19/40/487961940.db2.gz XQNBKQHFXRBCSJ-RKDXNWHRSA-N 1 2 240.307 0.503 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000122655629 324052276 /nfs/dbraw/zinc/05/22/76/324052276.db2.gz AUIZVSQXBZNYON-IUCAKERBSA-N 1 2 201.266 0.564 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccn1 ZINC000123084281 324081074 /nfs/dbraw/zinc/08/10/74/324081074.db2.gz RPMZUBACDWBMFE-UHFFFAOYSA-N 1 2 216.244 0.777 20 0 BCADLO C[N@H+](Cc1cnc2cnccn12)[C@H]1CCNC1=O ZINC000537698443 324097600 /nfs/dbraw/zinc/09/76/00/324097600.db2.gz SDSWESZVQWPIKW-JTQLQIEISA-N 1 2 245.286 0.050 20 0 BCADLO C[N@@H+](Cc1cnc2cnccn12)[C@H]1CCNC1=O ZINC000537698443 324097603 /nfs/dbraw/zinc/09/76/03/324097603.db2.gz SDSWESZVQWPIKW-JTQLQIEISA-N 1 2 245.286 0.050 20 0 BCADLO C[C@H](O)CN1CC[NH+](CCOCC2CC2)CC1 ZINC000189275497 324193797 /nfs/dbraw/zinc/19/37/97/324193797.db2.gz WVATUZRYNQNGTH-LBPRGKRZSA-N 1 2 242.363 0.411 20 0 BCADLO CC(C)(NC(=O)c1cccnn1)c1[nH]cc[nH+]1 ZINC000529460578 324306017 /nfs/dbraw/zinc/30/60/17/324306017.db2.gz UQWURUUMCWYIEX-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO C[C@@H](NC(=O)c1cccnn1)c1[nH+]ccn1C ZINC000529525176 324324763 /nfs/dbraw/zinc/32/47/63/324324763.db2.gz QFRVTEVCJVCUFK-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCCOC1 ZINC000529604054 324361759 /nfs/dbraw/zinc/36/17/59/324361759.db2.gz OPEKBXWXZUFFQK-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21NC(=O)Cc1[nH]cc[nH+]1 ZINC000529790235 324399032 /nfs/dbraw/zinc/39/90/32/324399032.db2.gz FRTWCLLWVRTHKN-PELKAZGASA-N 1 2 235.287 0.636 20 0 BCADLO Cc1nc(N2CC3(C2)CCCO3)nc(N)[nH+]1 ZINC000631401562 487966608 /nfs/dbraw/zinc/96/66/08/487966608.db2.gz QERYJJLBSFMXPD-UHFFFAOYSA-N 1 2 221.264 0.131 20 0 BCADLO Cc1nc(N)nc(N2CC3(C2)CCCO3)[nH+]1 ZINC000631401562 487966609 /nfs/dbraw/zinc/96/66/09/487966609.db2.gz QERYJJLBSFMXPD-UHFFFAOYSA-N 1 2 221.264 0.131 20 0 BCADLO O=S(=O)(CC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000542053969 325006850 /nfs/dbraw/zinc/00/68/50/325006850.db2.gz AUTSZFNONYCBCC-UHFFFAOYSA-N 1 2 241.316 0.480 20 0 BCADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncnn1C ZINC000542910185 325062344 /nfs/dbraw/zinc/06/23/44/325062344.db2.gz DQFLJJLUYUQXBM-GFCCVEGCSA-N 1 2 246.314 0.947 20 0 BCADLO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)no1 ZINC000130933623 325103138 /nfs/dbraw/zinc/10/31/38/325103138.db2.gz IXTFRKPLDFZXNG-IUCAKERBSA-N 1 2 238.291 0.512 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)n1 ZINC000544476983 325144580 /nfs/dbraw/zinc/14/45/80/325144580.db2.gz MIMMIKFZKAJKNO-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)NC(C)=O ZINC000131392347 325145218 /nfs/dbraw/zinc/14/52/18/325145218.db2.gz VUGYFSLWZNRFHL-SSDOTTSWSA-N 1 2 237.259 0.553 20 0 BCADLO CCCCC[N@H+](CCO)Cc1nncn1C ZINC000304364613 325145862 /nfs/dbraw/zinc/14/58/62/325145862.db2.gz YNWCSXUAFNQXPI-UHFFFAOYSA-N 1 2 226.324 0.800 20 0 BCADLO CCCCC[N@@H+](CCO)Cc1nncn1C ZINC000304364613 325145865 /nfs/dbraw/zinc/14/58/65/325145865.db2.gz YNWCSXUAFNQXPI-UHFFFAOYSA-N 1 2 226.324 0.800 20 0 BCADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCOC1 ZINC000544559729 325148313 /nfs/dbraw/zinc/14/83/13/325148313.db2.gz DQWGLXKHONENCX-GFCCVEGCSA-N 1 2 235.287 0.693 20 0 BCADLO Cc1nnnn1Cc1c(C)[nH+]c2ccccn21 ZINC000131796396 325184881 /nfs/dbraw/zinc/18/48/81/325184881.db2.gz CDJLVWGLXSOXMX-UHFFFAOYSA-N 1 2 228.259 0.986 20 0 BCADLO CCCn1cc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000546029058 325260857 /nfs/dbraw/zinc/26/08/57/325260857.db2.gz IESRMUKQGUSLRB-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1cc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000546029058 325260860 /nfs/dbraw/zinc/26/08/60/325260860.db2.gz IESRMUKQGUSLRB-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000075716068 325307676 /nfs/dbraw/zinc/30/76/76/325307676.db2.gz SSHZVDLRNYOUFF-JTQLQIEISA-N 1 2 243.303 0.966 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)OC(C)C ZINC000075716068 325307678 /nfs/dbraw/zinc/30/76/78/325307678.db2.gz SSHZVDLRNYOUFF-JTQLQIEISA-N 1 2 243.303 0.966 20 0 BCADLO COCc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000547209384 325332440 /nfs/dbraw/zinc/33/24/40/325332440.db2.gz KSNFPEBOBJYGHS-MRVPVSSYSA-N 1 2 226.280 0.134 20 0 BCADLO COCc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000547209384 325332442 /nfs/dbraw/zinc/33/24/42/325332442.db2.gz KSNFPEBOBJYGHS-MRVPVSSYSA-N 1 2 226.280 0.134 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC1(O)CCCC1)C2 ZINC000547468680 325359396 /nfs/dbraw/zinc/35/93/96/325359396.db2.gz DUIZRDVVCLRDSQ-UHFFFAOYSA-N 1 2 238.291 0.104 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC1(O)CCCC1)C2 ZINC000547468680 325359397 /nfs/dbraw/zinc/35/93/97/325359397.db2.gz DUIZRDVVCLRDSQ-UHFFFAOYSA-N 1 2 238.291 0.104 20 0 BCADLO Cn1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1=O ZINC000547730442 325389542 /nfs/dbraw/zinc/38/95/42/325389542.db2.gz PVPKNJWJTGFSHK-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000631236379 487967472 /nfs/dbraw/zinc/96/74/72/487967472.db2.gz NVMMAYSCTYACCD-BIIVOSGPSA-N 1 2 237.307 0.764 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)O[C@H](C)[C@@H]2C)[nH+]1 ZINC000631236379 487967476 /nfs/dbraw/zinc/96/74/76/487967476.db2.gz NVMMAYSCTYACCD-BIIVOSGPSA-N 1 2 237.307 0.764 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1ccc[nH]1 ZINC000547864006 325409835 /nfs/dbraw/zinc/40/98/35/325409835.db2.gz USPFOPCZWHJYGA-UHFFFAOYSA-N 1 2 232.287 0.650 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ncccc1O ZINC000135554069 325417693 /nfs/dbraw/zinc/41/76/93/325417693.db2.gz FNAWEIKPTNENPY-UHFFFAOYSA-N 1 2 232.243 0.483 20 0 BCADLO COCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000548191542 325440391 /nfs/dbraw/zinc/44/03/91/325440391.db2.gz VGLPQNIOTZKOCO-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CCc1cc(CNC(=O)Cc2c[nH+]cn2C)on1 ZINC000548813281 325485969 /nfs/dbraw/zinc/48/59/69/325485969.db2.gz CBANSQJPRPHZCM-UHFFFAOYSA-N 1 2 248.286 0.829 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccoc1 ZINC000549469434 325504191 /nfs/dbraw/zinc/50/41/91/325504191.db2.gz XOBYTLIVUMJMPY-UHFFFAOYSA-N 1 2 205.217 0.793 20 0 BCADLO Cc1cnc(CCNC(=O)Cn2cc[nH+]c2)nc1 ZINC000551193464 325550221 /nfs/dbraw/zinc/55/02/21/325550221.db2.gz ZSPAPOQDCRHJOF-UHFFFAOYSA-N 1 2 245.286 0.340 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000551465278 325558268 /nfs/dbraw/zinc/55/82/68/325558268.db2.gz YJQLLVKHXSMJKC-PWSUYJOCSA-N 1 2 235.287 0.567 20 0 BCADLO Cc1c[nH]c(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000553177308 325680039 /nfs/dbraw/zinc/68/00/39/325680039.db2.gz VOJNUCJFCGZMSS-UHFFFAOYSA-N 1 2 222.292 0.998 20 0 BCADLO CC[C@@H](COC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553478248 325693237 /nfs/dbraw/zinc/69/32/37/325693237.db2.gz KOCYJWJLTKVPAM-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO CCOCCCCNC(=O)Cc1c[nH+]cn1C ZINC000554508352 325722733 /nfs/dbraw/zinc/72/27/33/325722733.db2.gz SWHHQRPPZHZOOR-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000555023394 325743387 /nfs/dbraw/zinc/74/33/87/325743387.db2.gz JGSCHMXJCOGTAR-NSHDSACASA-N 1 2 223.276 0.257 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000555976166 325775008 /nfs/dbraw/zinc/77/50/08/325775008.db2.gz VYGIUFMYRFUHCV-QWRGUYRKSA-N 1 2 247.335 0.561 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCOCC1 ZINC000682481952 487970208 /nfs/dbraw/zinc/97/02/08/487970208.db2.gz ASSCBKQOJVNDOJ-LLVKDONJSA-N 1 2 249.314 0.694 20 0 BCADLO CCC[C@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000565816537 325960168 /nfs/dbraw/zinc/96/01/68/325960168.db2.gz RFFGYUSYGXWKPA-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO C[C@@H](C(=O)Nc1nncn1C1CC1)[NH+]1CC(C)C1 ZINC000566019989 325985561 /nfs/dbraw/zinc/98/55/61/325985561.db2.gz ZIYKMLVNIWGCEE-VIFPVBQESA-N 1 2 249.318 0.892 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]c(C)nc2N)[nH]1 ZINC000560499775 487971293 /nfs/dbraw/zinc/97/12/93/487971293.db2.gz NOTRFWLEXGRTED-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO CCn1cccc(NC(=O)Cn2cc[nH+]c2)c1=O ZINC000566355673 326036287 /nfs/dbraw/zinc/03/62/87/326036287.db2.gz HEQPWZYXUFJHRU-UHFFFAOYSA-N 1 2 246.270 0.703 20 0 BCADLO C[N@H+](CC[C@H]1CCNC1=O)CC(F)F ZINC000566416391 326042422 /nfs/dbraw/zinc/04/24/22/326042422.db2.gz HHRDNVGSZLYJNH-SSDOTTSWSA-N 1 2 206.236 0.710 20 0 BCADLO C[N@@H+](CC[C@H]1CCNC1=O)CC(F)F ZINC000566416391 326042425 /nfs/dbraw/zinc/04/24/25/326042425.db2.gz HHRDNVGSZLYJNH-SSDOTTSWSA-N 1 2 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BCADLO CCn1ccnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000567991729 326293224 /nfs/dbraw/zinc/29/32/24/326293224.db2.gz HPIJCDQRZUCQPI-UHFFFAOYSA-N 1 2 245.286 0.797 20 0 BCADLO C[C@@H](F)CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000567994736 326293683 /nfs/dbraw/zinc/29/36/83/326293683.db2.gz SSULXXZRPLTUGY-MRVPVSSYSA-N 1 2 228.271 0.334 20 0 BCADLO C[C@@H](F)CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000567994736 326293685 /nfs/dbraw/zinc/29/36/85/326293685.db2.gz SSULXXZRPLTUGY-MRVPVSSYSA-N 1 2 228.271 0.334 20 0 BCADLO C[C@@H](CC(=O)NCc1ccnn1C)n1cc[nH+]c1 ZINC000568097230 326307278 /nfs/dbraw/zinc/30/72/78/326307278.db2.gz WJRXJODGRQIHOT-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3sccc3C2)C(=O)N1 ZINC000568162082 326316431 /nfs/dbraw/zinc/31/64/31/326316431.db2.gz NXDAZMIRVOLNFK-MRVPVSSYSA-N 1 2 236.296 0.521 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3sccc3C2)C(=O)N1 ZINC000568162082 326316432 /nfs/dbraw/zinc/31/64/32/326316432.db2.gz NXDAZMIRVOLNFK-MRVPVSSYSA-N 1 2 236.296 0.521 20 0 BCADLO 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Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309598611 487994002 /nfs/dbraw/zinc/99/40/02/487994002.db2.gz WYVNEVYGXAJSCP-APPZFPTMSA-N 1 2 222.292 0.647 20 0 BCADLO CCCn1nccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000668603649 487995711 /nfs/dbraw/zinc/99/57/11/487995711.db2.gz IGJMXVLFDXPGQA-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)n1cccn1 ZINC000668603630 487995779 /nfs/dbraw/zinc/99/57/79/487995779.db2.gz HYHZTRKVHDPOKD-UHFFFAOYSA-N 1 2 233.275 0.658 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000677218291 488002260 /nfs/dbraw/zinc/00/22/60/488002260.db2.gz ZCZSWXRBRUCZPO-SECBINFHSA-N 1 2 236.319 0.884 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000677218291 488002264 /nfs/dbraw/zinc/00/22/64/488002264.db2.gz ZCZSWXRBRUCZPO-SECBINFHSA-N 1 2 236.319 0.884 20 0 BCADLO O=C(NC1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677237791 488003575 /nfs/dbraw/zinc/00/35/75/488003575.db2.gz JLGWWDHDTZYONX-NSHDSACASA-N 1 2 239.319 0.265 20 0 BCADLO COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)sn1 ZINC000401056227 488005298 /nfs/dbraw/zinc/00/52/98/488005298.db2.gz RYAGDFVKMZRIIF-QMMMGPOBSA-N 1 2 244.316 0.345 20 0 BCADLO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)sn1 ZINC000401056227 488005299 /nfs/dbraw/zinc/00/52/99/488005299.db2.gz RYAGDFVKMZRIIF-QMMMGPOBSA-N 1 2 244.316 0.345 20 0 BCADLO O=c1c2c([nH]n1Cc1ccccc1)CC[NH2+]C2 ZINC000140021593 488008173 /nfs/dbraw/zinc/00/81/73/488008173.db2.gz MITREHKJCXKANS-NSHDSACASA-N 1 2 229.283 0.994 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)sn1 ZINC000682672300 488008268 /nfs/dbraw/zinc/00/82/68/488008268.db2.gz ARKVHYADKHKTBV-SECBINFHSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)sn1 ZINC000682672300 488008270 /nfs/dbraw/zinc/00/82/70/488008270.db2.gz ARKVHYADKHKTBV-SECBINFHSA-N 1 2 241.316 0.138 20 0 BCADLO C[C@](O)(CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000677306252 488012472 /nfs/dbraw/zinc/01/24/72/488012472.db2.gz HGTUFFLHEHFSGP-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@H]2CCCCO2)C1=O ZINC000682677957 488012894 /nfs/dbraw/zinc/01/28/94/488012894.db2.gz YLPAJFOPZGGCMR-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@H]2CCCCO2)C1=O ZINC000682677957 488012897 /nfs/dbraw/zinc/01/28/97/488012897.db2.gz YLPAJFOPZGGCMR-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCSCC2)C1=O ZINC000682677719 488013613 /nfs/dbraw/zinc/01/36/13/488013613.db2.gz VPTAJXDXIOSJIT-MRVPVSSYSA-N 1 2 216.306 0.198 20 0 BCADLO CCCn1nccc1C[N@H+](CC(N)=O)C(C)C ZINC000667478189 488021085 /nfs/dbraw/zinc/02/10/85/488021085.db2.gz BDXITVXLIROTIS-UHFFFAOYSA-N 1 2 238.335 0.989 20 0 BCADLO CCCn1nccc1C[N@@H+](CC(N)=O)C(C)C ZINC000667478189 488021086 /nfs/dbraw/zinc/02/10/86/488021086.db2.gz BDXITVXLIROTIS-UHFFFAOYSA-N 1 2 238.335 0.989 20 0 BCADLO Cc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)cnn1C ZINC000647735628 488029621 /nfs/dbraw/zinc/02/96/21/488029621.db2.gz DGFBGUNNNVLHPJ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1c(C(=O)N2CCc3[nH+]c[nH]c3C2)cnn1C ZINC000647735628 488029625 /nfs/dbraw/zinc/02/96/25/488029625.db2.gz DGFBGUNNNVLHPJ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]2CCC(=O)N2C)cc[nH+]1 ZINC000668635614 488034582 /nfs/dbraw/zinc/03/45/82/488034582.db2.gz MAECUUFTTAPWHF-NSHDSACASA-N 1 2 247.298 0.761 20 0 BCADLO Cc1cc(NC(=O)C[C@H]2CCC(=O)N2C)cc[nH+]1 ZINC000668635613 488034686 /nfs/dbraw/zinc/03/46/86/488034686.db2.gz MAECUUFTTAPWHF-LLVKDONJSA-N 1 2 247.298 0.761 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCNC1=O ZINC000668637994 488036894 /nfs/dbraw/zinc/03/68/94/488036894.db2.gz XVTBZKNRFKFZME-VIFPVBQESA-N 1 2 244.254 0.409 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682776442 488037397 /nfs/dbraw/zinc/03/73/97/488037397.db2.gz NILGSRGZBSXJGL-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682776442 488037402 /nfs/dbraw/zinc/03/74/02/488037402.db2.gz NILGSRGZBSXJGL-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000355086696 488039455 /nfs/dbraw/zinc/03/94/55/488039455.db2.gz KKLVUQDLPNUJMQ-NXEZZACHSA-N 1 2 237.351 0.892 20 0 BCADLO CCc1nc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000355086696 488039449 /nfs/dbraw/zinc/03/94/49/488039449.db2.gz KKLVUQDLPNUJMQ-NXEZZACHSA-N 1 2 237.351 0.892 20 0 BCADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000682783650 488040620 /nfs/dbraw/zinc/04/06/20/488040620.db2.gz IERQGFWYRVRFLG-NWDGAFQWSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000682783650 488040624 /nfs/dbraw/zinc/04/06/24/488040624.db2.gz IERQGFWYRVRFLG-NWDGAFQWSA-N 1 2 249.314 0.980 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H](C)C(N)=O)cn1 ZINC000677474131 488044490 /nfs/dbraw/zinc/04/44/90/488044490.db2.gz ZODBNGVAYWDEAV-MRVPVSSYSA-N 1 2 223.276 0.396 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H](C)C(N)=O)cn1 ZINC000677474131 488044494 /nfs/dbraw/zinc/04/44/94/488044494.db2.gz ZODBNGVAYWDEAV-MRVPVSSYSA-N 1 2 223.276 0.396 20 0 BCADLO CCN1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1=O ZINC000670325552 488049661 /nfs/dbraw/zinc/04/96/61/488049661.db2.gz PIUKBWHTZPEDEN-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO Cc1[nH]nc(C(=O)N2CCC[N@@H+](C)CC2)c1O ZINC000677502968 488053955 /nfs/dbraw/zinc/05/39/55/488053955.db2.gz YLGKZLCWSYXOFX-UHFFFAOYSA-N 1 2 238.291 0.201 20 0 BCADLO Cc1[nH]nc(C(=O)N2CCC[N@H+](C)CC2)c1O ZINC000677502968 488053957 /nfs/dbraw/zinc/05/39/57/488053957.db2.gz YLGKZLCWSYXOFX-UHFFFAOYSA-N 1 2 238.291 0.201 20 0 BCADLO O=C(C1CC1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000681507804 488054621 /nfs/dbraw/zinc/05/46/21/488054621.db2.gz ACJSJFNEOJZROX-UHFFFAOYSA-N 1 2 234.303 0.464 20 0 BCADLO O=C(C1CC1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000681507804 488054623 /nfs/dbraw/zinc/05/46/23/488054623.db2.gz ACJSJFNEOJZROX-UHFFFAOYSA-N 1 2 234.303 0.464 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000401772888 488065189 /nfs/dbraw/zinc/06/51/89/488065189.db2.gz KOYFOHKXURFHEC-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000401772888 488065196 /nfs/dbraw/zinc/06/51/96/488065196.db2.gz KOYFOHKXURFHEC-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1c[nH+]cn1C ZINC000515355078 488074233 /nfs/dbraw/zinc/07/42/33/488074233.db2.gz BQYYFSFWUMVFBE-UHFFFAOYSA-N 1 2 239.319 0.835 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667653362 488075599 /nfs/dbraw/zinc/07/55/99/488075599.db2.gz YUIJVAQANZARQL-DTWKUNHWSA-N 1 2 248.286 0.352 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C)ccn1 ZINC000683002864 488084973 /nfs/dbraw/zinc/08/49/73/488084973.db2.gz QYTPZRNVWAPANE-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C)ccn1 ZINC000683002864 488084980 /nfs/dbraw/zinc/08/49/80/488084980.db2.gz QYTPZRNVWAPANE-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO C[N@@H+](Cc1ncccn1)C[C@H](O)C1CC1 ZINC000683010475 488090202 /nfs/dbraw/zinc/09/02/02/488090202.db2.gz CBHQHNTYJHFDEN-JTQLQIEISA-N 1 2 207.277 0.679 20 0 BCADLO C[N@H+](Cc1ncccn1)C[C@H](O)C1CC1 ZINC000683010475 488090208 /nfs/dbraw/zinc/09/02/08/488090208.db2.gz CBHQHNTYJHFDEN-JTQLQIEISA-N 1 2 207.277 0.679 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000683013635 488091923 /nfs/dbraw/zinc/09/19/23/488091923.db2.gz KLWYBAUWSLKCTD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000683013635 488091929 /nfs/dbraw/zinc/09/19/29/488091929.db2.gz KLWYBAUWSLKCTD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO COCC1([N@H+](C)Cc2ncnn2C)CC1 ZINC000677728603 488096569 /nfs/dbraw/zinc/09/65/69/488096569.db2.gz IEOBELVNDVDUAH-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC1([N@@H+](C)Cc2ncnn2C)CC1 ZINC000677728603 488096571 /nfs/dbraw/zinc/09/65/71/488096571.db2.gz IEOBELVNDVDUAH-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000677714799 488097292 /nfs/dbraw/zinc/09/72/92/488097292.db2.gz ISYWWLILQSDWAN-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000677714799 488097298 /nfs/dbraw/zinc/09/72/98/488097298.db2.gz ISYWWLILQSDWAN-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C)ccn1 ZINC000683029873 488101196 /nfs/dbraw/zinc/10/11/96/488101196.db2.gz QRASNEHRECNQHX-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C)ccn1 ZINC000683029873 488101200 /nfs/dbraw/zinc/10/12/00/488101200.db2.gz QRASNEHRECNQHX-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO COCC1([N@H+](C)CC(=O)Nc2ccon2)CC1 ZINC000677727456 488105094 /nfs/dbraw/zinc/10/50/94/488105094.db2.gz ZNYUHMUHVOBZAY-UHFFFAOYSA-N 1 2 239.275 0.724 20 0 BCADLO COCC1([N@@H+](C)CC(=O)Nc2ccon2)CC1 ZINC000677727456 488105100 /nfs/dbraw/zinc/10/51/00/488105100.db2.gz ZNYUHMUHVOBZAY-UHFFFAOYSA-N 1 2 239.275 0.724 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677732290 488109776 /nfs/dbraw/zinc/10/97/76/488109776.db2.gz MTXJZOPVYMGOCY-YFKPBYRVSA-N 1 2 244.249 0.123 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677732290 488109782 /nfs/dbraw/zinc/10/97/82/488109782.db2.gz MTXJZOPVYMGOCY-YFKPBYRVSA-N 1 2 244.249 0.123 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cncc(F)c1 ZINC000681751554 487536653 /nfs/dbraw/zinc/53/66/53/487536653.db2.gz CZJWPYDWDCUBKH-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cncc(F)c1 ZINC000681751554 487536662 /nfs/dbraw/zinc/53/66/62/487536662.db2.gz CZJWPYDWDCUBKH-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO C[C@@H](CO)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546140 488113876 /nfs/dbraw/zinc/11/38/76/488113876.db2.gz JTEGIWKNBLGPOT-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@@H](CO)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546140 488113881 /nfs/dbraw/zinc/11/38/81/488113881.db2.gz JTEGIWKNBLGPOT-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO OCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682549329 488117605 /nfs/dbraw/zinc/11/76/05/488117605.db2.gz XJMYZFPYERJDBC-MRVPVSSYSA-N 1 2 209.236 0.461 20 0 BCADLO OCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682549329 488117612 /nfs/dbraw/zinc/11/76/12/488117612.db2.gz XJMYZFPYERJDBC-MRVPVSSYSA-N 1 2 209.236 0.461 20 0 BCADLO CCCNC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000677801463 488124543 /nfs/dbraw/zinc/12/45/43/488124543.db2.gz AXQVBDQGWKRMBU-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO COC1(CO)CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000685845093 488127195 /nfs/dbraw/zinc/12/71/95/488127195.db2.gz FKFBSPCUSMCRAJ-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1nc(N(C)C)nc(NC(C)(C)[C@H](C)O)[nH+]1 ZINC000677809204 488127519 /nfs/dbraw/zinc/12/75/19/488127519.db2.gz KAJYTHMHPDXIGF-ZETCQYMHSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(NC(C)(C)[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000677809204 488127524 /nfs/dbraw/zinc/12/75/24/488127524.db2.gz KAJYTHMHPDXIGF-ZETCQYMHSA-N 1 2 239.323 0.817 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667425746 487540115 /nfs/dbraw/zinc/54/01/15/487540115.db2.gz MSNOLHMKKKIQOI-SSDOTTSWSA-N 1 2 231.259 0.876 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667425746 487540118 /nfs/dbraw/zinc/54/01/18/487540118.db2.gz MSNOLHMKKKIQOI-SSDOTTSWSA-N 1 2 231.259 0.876 20 0 BCADLO CN1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188685633 487541951 /nfs/dbraw/zinc/54/19/51/487541951.db2.gz DCXRSHDEMFVTSX-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO Cn1cncc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000685548754 487542113 /nfs/dbraw/zinc/54/21/13/487542113.db2.gz IAZFLRXDSMEFKV-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO C[C@H]1C[N@H+](CCn2ccccc2=O)CCC1=O ZINC000168876337 487549285 /nfs/dbraw/zinc/54/92/85/487549285.db2.gz UQKIMBLDLGMVDL-NSHDSACASA-N 1 2 234.299 0.759 20 0 BCADLO C[C@H]1C[N@@H+](CCn2ccccc2=O)CCC1=O ZINC000168876337 487549287 /nfs/dbraw/zinc/54/92/87/487549287.db2.gz UQKIMBLDLGMVDL-NSHDSACASA-N 1 2 234.299 0.759 20 0 BCADLO C[C@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000665839740 487551053 /nfs/dbraw/zinc/55/10/53/487551053.db2.gz QZULWSJLOHEYJM-IUCAKERBSA-N 1 2 240.307 0.409 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(C)(C)CO ZINC000168957794 487553907 /nfs/dbraw/zinc/55/39/07/487553907.db2.gz QYBOJZBZVWLHFP-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(C)(C)CO ZINC000168957794 487553914 /nfs/dbraw/zinc/55/39/14/487553914.db2.gz QYBOJZBZVWLHFP-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO CN(C)c1cc[nH+]c(NC(=O)c2cn(C)nn2)c1 ZINC000685466172 487532072 /nfs/dbraw/zinc/53/20/72/487532072.db2.gz NCAAGXRXQYLPES-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CCCNS(=O)(=O)NCc1[nH+]ccn1CC ZINC000295514353 487474113 /nfs/dbraw/zinc/47/41/13/487474113.db2.gz OUIRBSVBJGPJEK-UHFFFAOYSA-N 1 2 246.336 0.237 20 0 BCADLO CC[C@@H](OC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679894920 487482683 /nfs/dbraw/zinc/48/26/83/487482683.db2.gz SKIGTAOAUPMQQX-SNVBAGLBSA-N 1 2 237.303 0.959 20 0 BCADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000668758620 487491301 /nfs/dbraw/zinc/49/13/01/487491301.db2.gz BVXXXFMSZHFZJU-URLYPYJESA-N 1 2 233.271 0.159 20 0 BCADLO C[C@@H](NC(=O)c1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000231912133 487489493 /nfs/dbraw/zinc/48/94/93/487489493.db2.gz FTLQYKRVTHNLOA-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C[C@@H](O)C1CC1 ZINC000685036927 487493300 /nfs/dbraw/zinc/49/33/00/487493300.db2.gz WBCTVNHYZBMRHZ-SNVBAGLBSA-N 1 2 242.298 0.450 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C[C@@H](O)C1CC1 ZINC000685036927 487493303 /nfs/dbraw/zinc/49/33/03/487493303.db2.gz WBCTVNHYZBMRHZ-SNVBAGLBSA-N 1 2 242.298 0.450 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000685036711 487493576 /nfs/dbraw/zinc/49/35/76/487493576.db2.gz JNHIDXHRSJZPMV-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000685036711 487493581 /nfs/dbraw/zinc/49/35/81/487493581.db2.gz JNHIDXHRSJZPMV-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO Cn1nnc(C[N@H+](CCO)CC(C)(C)C)n1 ZINC000685036664 487493614 /nfs/dbraw/zinc/49/36/14/487493614.db2.gz ZFIJZUWGKLZFEH-UHFFFAOYSA-N 1 2 227.312 0.051 20 0 BCADLO Cn1nnc(C[N@@H+](CCO)CC(C)(C)C)n1 ZINC000685036664 487493617 /nfs/dbraw/zinc/49/36/17/487493617.db2.gz ZFIJZUWGKLZFEH-UHFFFAOYSA-N 1 2 227.312 0.051 20 0 BCADLO CO[C@H]1COCC[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000450697328 487493939 /nfs/dbraw/zinc/49/39/39/487493939.db2.gz UTBZBKDDVWQQOJ-MNOVXSKESA-N 1 2 237.303 1.248 20 0 BCADLO CN(CCCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000685040040 487495035 /nfs/dbraw/zinc/49/50/35/487495035.db2.gz CSVHNYZTSZPMDJ-UHFFFAOYSA-N 1 2 233.275 0.481 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668231613 487497644 /nfs/dbraw/zinc/49/76/44/487497644.db2.gz FXQHTNPVVDZKMZ-UHFFFAOYSA-N 1 2 248.330 0.397 20 0 BCADLO Cn1cc[nH+]c1CNc1cncc2ncnn21 ZINC000679928771 487491711 /nfs/dbraw/zinc/49/17/11/487491711.db2.gz UONWQRREXKAWEM-UHFFFAOYSA-N 1 2 229.247 0.470 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)Cn1cncn1 ZINC000078880994 487499610 /nfs/dbraw/zinc/49/96/10/487499610.db2.gz NYUSWMGLZOHGCE-UHFFFAOYSA-N 1 2 246.274 0.378 20 0 BCADLO C[C@@]1(O)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000673933613 487500789 /nfs/dbraw/zinc/50/07/89/487500789.db2.gz ZAWPEKQJHVULGJ-GFCCVEGCSA-N 1 2 245.286 0.623 20 0 BCADLO CC1(CO)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668233741 487508103 /nfs/dbraw/zinc/50/81/03/487508103.db2.gz KSXJMIGPBIUWKM-UHFFFAOYSA-N 1 2 221.304 0.644 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ncccc1O ZINC000685408215 487516455 /nfs/dbraw/zinc/51/64/55/487516455.db2.gz ZLQWTMXKGHDTDY-UHFFFAOYSA-N 1 2 237.303 0.745 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ncccc1O ZINC000685408215 487516457 /nfs/dbraw/zinc/51/64/57/487516457.db2.gz ZLQWTMXKGHDTDY-UHFFFAOYSA-N 1 2 237.303 0.745 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccncc2F)C1 ZINC000334541559 487521833 /nfs/dbraw/zinc/52/18/33/487521833.db2.gz RPSLTENBKKYSRJ-UHFFFAOYSA-N 1 2 223.251 0.399 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccn[nH]1 ZINC000042386217 487523388 /nfs/dbraw/zinc/52/33/88/487523388.db2.gz ACRXTKWVBASQAC-UHFFFAOYSA-N 1 2 205.221 0.036 20 0 BCADLO CS(=O)(=O)CCCC[N@@H+]1CCCOCC1 ZINC000675289773 487690359 /nfs/dbraw/zinc/69/03/59/487690359.db2.gz FZRRPQSEQQNQAS-UHFFFAOYSA-N 1 2 235.349 0.534 20 0 BCADLO CS(=O)(=O)CCCC[N@H+]1CCCOCC1 ZINC000675289773 487690364 /nfs/dbraw/zinc/69/03/64/487690364.db2.gz FZRRPQSEQQNQAS-UHFFFAOYSA-N 1 2 235.349 0.534 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCOC1 ZINC000682032623 487705443 /nfs/dbraw/zinc/70/54/43/487705443.db2.gz IMWDTKAYVXNASC-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCOC1 ZINC000682032623 487705447 /nfs/dbraw/zinc/70/54/47/487705447.db2.gz IMWDTKAYVXNASC-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)nn1C ZINC000676040347 487802640 /nfs/dbraw/zinc/80/26/40/487802640.db2.gz GEDYROJPSVOMIV-UHFFFAOYSA-N 1 2 238.335 0.814 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)nn1C ZINC000676040347 487802643 /nfs/dbraw/zinc/80/26/43/487802643.db2.gz GEDYROJPSVOMIV-UHFFFAOYSA-N 1 2 238.335 0.814 20 0 BCADLO CC[C@@H]1C[N@H+](CCNc2nnc(C)o2)CCO1 ZINC000343093376 487867138 /nfs/dbraw/zinc/86/71/38/487867138.db2.gz ILUQXACJDZFTLM-SNVBAGLBSA-N 1 2 240.307 0.901 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNc2nnc(C)o2)CCO1 ZINC000343093376 487867143 /nfs/dbraw/zinc/86/71/43/487867143.db2.gz ILUQXACJDZFTLM-SNVBAGLBSA-N 1 2 240.307 0.901 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2n[nH]nc21 ZINC000682161220 487919131 /nfs/dbraw/zinc/91/91/31/487919131.db2.gz MGJVVUJHXPKQIZ-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO c1ncn(-c2ccc(NCc3cn[nH]c3)[nH+]c2)n1 ZINC000682856096 488055069 /nfs/dbraw/zinc/05/50/69/488055069.db2.gz YMMPAFPLOKBHOA-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000222966593 488138377 /nfs/dbraw/zinc/13/83/77/488138377.db2.gz JCABSAWIFIVUQH-VXGBXAGGSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000222966593 488138379 /nfs/dbraw/zinc/13/83/79/488138379.db2.gz JCABSAWIFIVUQH-VXGBXAGGSA-N 1 2 245.319 0.223 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)NC1CC1 ZINC000677884590 488147030 /nfs/dbraw/zinc/14/70/30/488147030.db2.gz RIEDPLSKOZVREA-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)NC1CC1 ZINC000677884590 488147034 /nfs/dbraw/zinc/14/70/34/488147034.db2.gz RIEDPLSKOZVREA-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670406578 488147626 /nfs/dbraw/zinc/14/76/26/488147626.db2.gz XHCQYUBPQMPXRE-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670406578 488147630 /nfs/dbraw/zinc/14/76/30/488147630.db2.gz XHCQYUBPQMPXRE-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO COCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC000667926301 488160145 /nfs/dbraw/zinc/16/01/45/488160145.db2.gz GJONNZKIPUQTQA-UHFFFAOYSA-N 1 2 225.292 0.267 20 0 BCADLO Cc1cccn2c(NC(=O)NCCO)c[nH+]c12 ZINC000667948699 488165856 /nfs/dbraw/zinc/16/58/56/488165856.db2.gz JUBWVLGCIRHKRC-UHFFFAOYSA-N 1 2 234.259 0.757 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1cn(CC)nn1 ZINC000404510921 488165835 /nfs/dbraw/zinc/16/58/35/488165835.db2.gz QNEYGFKBRGWMAY-UHFFFAOYSA-N 1 2 248.334 0.884 20 0 BCADLO CCn1cc(C[NH2+]Cc2c(C)nn(C)c2C)nn1 ZINC000404514038 488166820 /nfs/dbraw/zinc/16/68/20/488166820.db2.gz TYOQSFLIHVKRGZ-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO Cn1ccc(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000677974265 488168071 /nfs/dbraw/zinc/16/80/71/488168071.db2.gz HFSSNSUUITZQHW-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1nccn(C)c1=O ZINC000678063546 488190214 /nfs/dbraw/zinc/19/02/14/488190214.db2.gz USSVNPCTGROIKY-UHFFFAOYSA-N 1 2 233.275 0.150 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044960 488194369 /nfs/dbraw/zinc/19/43/69/488194369.db2.gz DAGZPFJKEOWAJE-CABZTGNLSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044960 488194372 /nfs/dbraw/zinc/19/43/72/488194372.db2.gz DAGZPFJKEOWAJE-CABZTGNLSA-N 1 2 236.319 0.958 20 0 BCADLO CC[N@H+](Cc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000678122384 488200838 /nfs/dbraw/zinc/20/08/38/488200838.db2.gz MWYWSMHXFABGBO-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CC[N@@H+](Cc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000678122384 488200841 /nfs/dbraw/zinc/20/08/41/488200841.db2.gz MWYWSMHXFABGBO-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668089618 488201078 /nfs/dbraw/zinc/20/10/78/488201078.db2.gz YHHQPOZTVPZFPS-GHMZBOCLSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668091096 488201250 /nfs/dbraw/zinc/20/12/50/488201250.db2.gz ZYXQNSGBJVZFFN-IUCAKERBSA-N 1 2 248.286 0.004 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)c[nH+]1 ZINC000678191097 488214920 /nfs/dbraw/zinc/21/49/20/488214920.db2.gz AGOWYIGZLURKSO-SKDRFNHKSA-N 1 2 249.314 0.965 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1c(C)n[nH]c1C ZINC000678192477 488215701 /nfs/dbraw/zinc/21/57/01/488215701.db2.gz KDKISKULKYDUCO-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000678192477 488215704 /nfs/dbraw/zinc/21/57/04/488215704.db2.gz KDKISKULKYDUCO-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CN(CC(=O)NCC1CCC1)Cc1[nH]cc[nH+]1 ZINC000678218142 488216233 /nfs/dbraw/zinc/21/62/33/488216233.db2.gz FQZDOLAIKZGYHK-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668192137 488218278 /nfs/dbraw/zinc/21/82/78/488218278.db2.gz UVHYAJHIWXEWTN-NWDGAFQWSA-N 1 2 249.314 0.818 20 0 BCADLO Cc1nccnc1C(=O)NCc1[nH+]ccn1C ZINC000668193635 488219520 /nfs/dbraw/zinc/21/95/20/488219520.db2.gz KMEIXNFGJNJWGE-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000668194041 488220066 /nfs/dbraw/zinc/22/00/66/488220066.db2.gz YESVJMXUEHIGDP-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO Nc1cc(C[N@@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000683784419 488221186 /nfs/dbraw/zinc/22/11/86/488221186.db2.gz WSKKIUAPPUYECY-UHFFFAOYSA-N 1 2 229.287 0.945 20 0 BCADLO Nc1cc(C[N@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000683784419 488221188 /nfs/dbraw/zinc/22/11/88/488221188.db2.gz WSKKIUAPPUYECY-UHFFFAOYSA-N 1 2 229.287 0.945 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678238072 488222644 /nfs/dbraw/zinc/22/26/44/488222644.db2.gz QKQYYQDIDIXOMO-JTQLQIEISA-N 1 2 222.292 0.366 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678238072 488222645 /nfs/dbraw/zinc/22/26/45/488222645.db2.gz QKQYYQDIDIXOMO-JTQLQIEISA-N 1 2 222.292 0.366 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678238511 488223023 /nfs/dbraw/zinc/22/30/23/488223023.db2.gz ZGXPMVBEFNDTBN-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678238511 488223026 /nfs/dbraw/zinc/22/30/26/488223026.db2.gz ZGXPMVBEFNDTBN-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000399240863 488228751 /nfs/dbraw/zinc/22/87/51/488228751.db2.gz MIXCRUVPSDOJQR-ZJUUUORDSA-N 1 2 223.276 0.255 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678270752 488232878 /nfs/dbraw/zinc/23/28/78/488232878.db2.gz JRSHRZHLCYSTEL-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678270752 488232880 /nfs/dbraw/zinc/23/28/80/488232880.db2.gz JRSHRZHLCYSTEL-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO Cn1nncc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678272861 488233943 /nfs/dbraw/zinc/23/39/43/488233943.db2.gz CKLICJJCBQOPLO-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1nncc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678272861 488233944 /nfs/dbraw/zinc/23/39/44/488233944.db2.gz CKLICJJCBQOPLO-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1nncc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678272861 488233945 /nfs/dbraw/zinc/23/39/45/488233945.db2.gz CKLICJJCBQOPLO-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1nncc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678272861 488233946 /nfs/dbraw/zinc/23/39/46/488233946.db2.gz CKLICJJCBQOPLO-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccn[nH]1 ZINC000672145182 488240758 /nfs/dbraw/zinc/24/07/58/488240758.db2.gz YLYDIDYTFUHUKB-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145646 488240771 /nfs/dbraw/zinc/24/07/71/488240771.db2.gz NPOVZJCFXNMKPC-ZMLRMANQSA-N 1 2 249.314 0.739 20 0 BCADLO Cn1cnc(C[N@H+](CC(N)=O)C(C)(C)C)c1 ZINC000683898879 488241154 /nfs/dbraw/zinc/24/11/54/488241154.db2.gz UKAOMKVTYZBDMK-UHFFFAOYSA-N 1 2 224.308 0.506 20 0 BCADLO Cn1cnc(C[N@@H+](CC(N)=O)C(C)(C)C)c1 ZINC000683898879 488241156 /nfs/dbraw/zinc/24/11/56/488241156.db2.gz UKAOMKVTYZBDMK-UHFFFAOYSA-N 1 2 224.308 0.506 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CO1 ZINC000672149896 488241517 /nfs/dbraw/zinc/24/15/17/488241517.db2.gz ZWFNNGFJZCWPQG-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCCOC1 ZINC000672152426 488241693 /nfs/dbraw/zinc/24/16/93/488241693.db2.gz KBQFRKQJLGHGOB-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152772 488241859 /nfs/dbraw/zinc/24/18/59/488241859.db2.gz NGJQWZNNUZGYNP-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC(=O)C1 ZINC000672149258 488242161 /nfs/dbraw/zinc/24/21/61/488242161.db2.gz JXQRHKATRHLVBD-VIFPVBQESA-N 1 2 233.271 0.293 20 0 BCADLO CCOCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149819 488242166 /nfs/dbraw/zinc/24/21/66/488242166.db2.gz YESOBOBGWNTMFT-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154097 488242374 /nfs/dbraw/zinc/24/23/74/488242374.db2.gz FADFQFXRZLNJEF-NSHDSACASA-N 1 2 249.314 0.741 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000672156412 488242388 /nfs/dbraw/zinc/24/23/88/488242388.db2.gz OGTQQRKFNDUONW-GWCFXTLKSA-N 1 2 249.314 0.741 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155320 488242420 /nfs/dbraw/zinc/24/24/20/488242420.db2.gz VMANREWNSRUDOU-SNVBAGLBSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(Cc1cc[nH]n1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155417 488242449 /nfs/dbraw/zinc/24/24/49/488242449.db2.gz XSIASAUBOMVECY-SNVBAGLBSA-N 1 2 245.286 0.280 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153985 488242472 /nfs/dbraw/zinc/24/24/72/488242472.db2.gz CQPWRENZRPEDNU-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO CC(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155600 488242543 /nfs/dbraw/zinc/24/25/43/488242543.db2.gz CLYXVIMZVSHWFJ-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672400281 488253983 /nfs/dbraw/zinc/25/39/83/488253983.db2.gz KYBXXHRDKQQKKZ-GWCFXTLKSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000684069104 488259626 /nfs/dbraw/zinc/25/96/26/488259626.db2.gz HMDNKKVNUQVDAD-IJLUTSLNSA-N 1 2 240.347 0.822 20 0 BCADLO COC[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672965719 488270663 /nfs/dbraw/zinc/27/06/63/488270663.db2.gz FTBIMGXARXAVPX-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1nnc(CNC(=O)Nc2cc[nH+]cc2C)o1 ZINC000684160376 488270737 /nfs/dbraw/zinc/27/07/37/488270737.db2.gz OZXURTDXNFFOGY-UHFFFAOYSA-N 1 2 247.258 0.825 20 0 BCADLO C[C@H](CO)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678627434 488274373 /nfs/dbraw/zinc/27/43/73/488274373.db2.gz SKBONXYEXKNRDH-RYUDHWBXSA-N 1 2 228.336 0.021 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccnn1 ZINC000678764231 488280684 /nfs/dbraw/zinc/28/06/84/488280684.db2.gz OBAVPXCDVBFCIE-UHFFFAOYSA-N 1 2 246.274 0.874 20 0 BCADLO CC1(F)CN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000684248914 488281480 /nfs/dbraw/zinc/28/14/80/488281480.db2.gz QNJYNSWBTWWTSA-UHFFFAOYSA-N 1 2 245.298 0.072 20 0 BCADLO NC(=O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000678787338 488282922 /nfs/dbraw/zinc/28/29/22/488282922.db2.gz JUFCFIDNCJNHGB-SSDOTTSWSA-N 1 2 209.224 0.532 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cn(C)nc1CC ZINC000678817636 488287385 /nfs/dbraw/zinc/28/73/85/488287385.db2.gz IMCABKMAHPHAHV-UHFFFAOYSA-N 1 2 238.335 0.550 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+]2CC=CCC2)n1 ZINC000679321682 488335774 /nfs/dbraw/zinc/33/57/74/488335774.db2.gz JQDPPUNXCZEZOX-UHFFFAOYSA-N 1 2 234.307 0.282 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+]2CC=CCC2)n1 ZINC000679321682 488335777 /nfs/dbraw/zinc/33/57/77/488335777.db2.gz JQDPPUNXCZEZOX-UHFFFAOYSA-N 1 2 234.307 0.282 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000673656785 488300913 /nfs/dbraw/zinc/30/09/13/488300913.db2.gz SVYZXOMFIYIZDS-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CCc1n[nH]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000673666623 488301772 /nfs/dbraw/zinc/30/17/72/488301772.db2.gz SUVUOHAMRVRAAF-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO COC1(C)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000679005069 488302318 /nfs/dbraw/zinc/30/23/18/488302318.db2.gz XADYFQLBZLYUEU-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000673894180 488311634 /nfs/dbraw/zinc/31/16/34/488311634.db2.gz TVDNNFWLTMXBLP-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000673894180 488311637 /nfs/dbraw/zinc/31/16/37/488311637.db2.gz TVDNNFWLTMXBLP-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO COC[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000684456282 488315449 /nfs/dbraw/zinc/31/54/49/488315449.db2.gz XGLBLHNIGWJHNJ-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000684510054 488323731 /nfs/dbraw/zinc/32/37/31/488323731.db2.gz XAKBDETVJXMVMD-IAZYJMLFSA-N 1 2 235.287 0.424 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000684510565 488324018 /nfs/dbraw/zinc/32/40/18/488324018.db2.gz XJKADGMYIGPBFZ-UXCLJVHYSA-N 1 2 247.298 0.207 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCCCNC1=O ZINC000684607653 488331784 /nfs/dbraw/zinc/33/17/84/488331784.db2.gz WMZYAWYSZGOAAH-SECBINFHSA-N 1 2 237.307 0.056 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCCN(C)C1=O ZINC000679310788 488333775 /nfs/dbraw/zinc/33/37/75/488333775.db2.gz BVIKWSKFBLPXPG-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCCN(C)C1=O ZINC000679310788 488333777 /nfs/dbraw/zinc/33/37/77/488333777.db2.gz BVIKWSKFBLPXPG-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CC(=O)NCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684821093 488346792 /nfs/dbraw/zinc/34/67/92/488346792.db2.gz NGGRBVLUCNCFIT-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO CC1(C)CCCN1C(=O)C[NH+]1CCOCC1 ZINC000679368104 488347508 /nfs/dbraw/zinc/34/75/08/488347508.db2.gz HVZWXNMIMYNWAS-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CC2(C)CCC2)CC1 ZINC000684840568 488348062 /nfs/dbraw/zinc/34/80/62/488348062.db2.gz ASOZGXYSYSSCIU-UHFFFAOYSA-N 1 2 246.376 0.754 20 0 BCADLO CC(C)(C)c1nc(NC[C@@H](O)C(N)=O)cc[nH+]1 ZINC000684839086 488348145 /nfs/dbraw/zinc/34/81/45/488348145.db2.gz YKZLVUPZHRZQIR-SSDOTTSWSA-N 1 2 238.291 0.032 20 0 BCADLO Cc1nc(NC[C@@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000413345070 490101892 /nfs/dbraw/zinc/10/18/92/490101892.db2.gz SWNBOPNJOMGLGF-LLVKDONJSA-N 1 2 220.276 0.866 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000399240860 490092334 /nfs/dbraw/zinc/09/23/34/490092334.db2.gz MIXCRUVPSDOJQR-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@@H]2O)nc(N)[nH+]1 ZINC000323409891 490094829 /nfs/dbraw/zinc/09/48/29/490094829.db2.gz MDVGKBIDCXFQGX-BQBZGAKWSA-N 1 2 209.253 0.088 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000323409891 490094833 /nfs/dbraw/zinc/09/48/33/490094833.db2.gz MDVGKBIDCXFQGX-BQBZGAKWSA-N 1 2 209.253 0.088 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1nc(C(C)(C)C)no1 ZINC000192682415 490100585 /nfs/dbraw/zinc/10/05/85/490100585.db2.gz YLNZDVZHPAFICJ-NKWVEPMBSA-N 1 2 240.307 0.892 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@@H](CO)O2)cc[nH+]1 ZINC000348218526 490102437 /nfs/dbraw/zinc/10/24/37/490102437.db2.gz KYVYTHZMHMDHKO-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000110115885 490103997 /nfs/dbraw/zinc/10/39/97/490103997.db2.gz VBXKDQNWRLAROT-XPUUQOCRSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000110115885 490104002 /nfs/dbraw/zinc/10/40/02/490104002.db2.gz VBXKDQNWRLAROT-XPUUQOCRSA-N 1 2 241.209 0.547 20 0 BCADLO Cc1ccc(NC[C@@H]2CN(C)CC[N@@H+]2C)nn1 ZINC000068806776 490131231 /nfs/dbraw/zinc/13/12/31/490131231.db2.gz XAFPIOOEICZLLW-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1ccc(NC[C@@H]2CN(C)CC[N@H+]2C)nn1 ZINC000068806776 490131235 /nfs/dbraw/zinc/13/12/35/490131235.db2.gz XAFPIOOEICZLLW-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2CCCn3nccc32)[nH]1 ZINC000640219721 490197326 /nfs/dbraw/zinc/19/73/26/490197326.db2.gz HCCRCXAHMGOARI-VIFPVBQESA-N 1 2 232.291 0.934 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC000672149449 490198743 /nfs/dbraw/zinc/19/87/43/490198743.db2.gz OWGAONCXZYEJEX-GWCFXTLKSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000079767539 490200951 /nfs/dbraw/zinc/20/09/51/490200951.db2.gz HNHXTSHZWHZISA-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000079767539 490200957 /nfs/dbraw/zinc/20/09/57/490200957.db2.gz HNHXTSHZWHZISA-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000578334272 490222948 /nfs/dbraw/zinc/22/29/48/490222948.db2.gz GVDUOWJFNYPCJW-VXNVDRBHSA-N 1 2 229.280 0.378 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000578334272 490222954 /nfs/dbraw/zinc/22/29/54/490222954.db2.gz GVDUOWJFNYPCJW-VXNVDRBHSA-N 1 2 229.280 0.378 20 0 BCADLO CCc1cc(NC[C@@H](O)COC)nc[nH+]1 ZINC000070590091 490223955 /nfs/dbraw/zinc/22/39/55/490223955.db2.gz QJDQIKDADJKGDV-SECBINFHSA-N 1 2 211.265 0.458 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413218167 490274082 /nfs/dbraw/zinc/27/40/82/490274082.db2.gz HJUFLIUOFYZWCE-WCBMZHEXSA-N 1 2 234.303 0.868 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413218167 490274087 /nfs/dbraw/zinc/27/40/87/490274087.db2.gz HJUFLIUOFYZWCE-WCBMZHEXSA-N 1 2 234.303 0.868 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413218168 490274286 /nfs/dbraw/zinc/27/42/86/490274286.db2.gz HJUFLIUOFYZWCE-WPRPVWTQSA-N 1 2 234.303 0.868 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413218168 490274293 /nfs/dbraw/zinc/27/42/93/490274293.db2.gz HJUFLIUOFYZWCE-WPRPVWTQSA-N 1 2 234.303 0.868 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N(CCCO)C1CC1 ZINC000404288816 490332266 /nfs/dbraw/zinc/33/22/66/490332266.db2.gz XUSAVAJRDWWGSK-UHFFFAOYSA-N 1 2 247.302 0.715 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cncnc1 ZINC000130583408 490405952 /nfs/dbraw/zinc/40/59/52/490405952.db2.gz DDFDOALSISIZFO-UHFFFAOYSA-N 1 2 222.292 0.435 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cncnc1 ZINC000130583408 490405958 /nfs/dbraw/zinc/40/59/58/490405958.db2.gz DDFDOALSISIZFO-UHFFFAOYSA-N 1 2 222.292 0.435 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000073040872 490417507 /nfs/dbraw/zinc/41/75/07/490417507.db2.gz SUXADYJIJQHYJS-UHFFFAOYSA-N 1 2 234.303 0.539 20 0 BCADLO CCn1ccnc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000218209210 490513139 /nfs/dbraw/zinc/51/31/39/490513139.db2.gz LTTAUAHWWWFJAZ-SSDOTTSWSA-N 1 2 237.225 0.916 20 0 BCADLO Cc1nc(NC[C@@H](C)S(C)(=O)=O)cc[nH+]1 ZINC000309022731 491051684 /nfs/dbraw/zinc/05/16/84/491051684.db2.gz YEWNZRFJKMYULD-SSDOTTSWSA-N 1 2 229.305 0.630 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182667848 491056680 /nfs/dbraw/zinc/05/66/80/491056680.db2.gz SPKWXHSWISKBLQ-YPMHNXCESA-N 1 2 235.283 0.750 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182667848 491056682 /nfs/dbraw/zinc/05/66/82/491056682.db2.gz SPKWXHSWISKBLQ-YPMHNXCESA-N 1 2 235.283 0.750 20 0 BCADLO CCc1cc(NC[C@@]2(O)CCO[C@H]2C)nc[nH+]1 ZINC000228008819 491086865 /nfs/dbraw/zinc/08/68/65/491086865.db2.gz LJHBMASYLOCVPE-CABZTGNLSA-N 1 2 237.303 0.991 20 0 BCADLO Cc1cc(NC[C@]2(O)CCO[C@@H]2C)nc[nH+]1 ZINC000228010082 491086872 /nfs/dbraw/zinc/08/68/72/491086872.db2.gz SMJWVXPRYDQJIW-MWLCHTKSSA-N 1 2 223.276 0.737 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000088591051 491106672 /nfs/dbraw/zinc/10/66/72/491106672.db2.gz GUJCCWKMCIGBMP-JTQLQIEISA-N 1 2 235.335 0.624 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000284121023 491112391 /nfs/dbraw/zinc/11/23/91/491112391.db2.gz UXCWTPIZJHMGJY-AQHVTNBVSA-N 1 2 235.287 0.964 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000090124066 491123280 /nfs/dbraw/zinc/12/32/80/491123280.db2.gz KFGIABHSKLENTE-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000090124066 491123281 /nfs/dbraw/zinc/12/32/81/491123281.db2.gz KFGIABHSKLENTE-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617744576 491123948 /nfs/dbraw/zinc/12/39/48/491123948.db2.gz YOYNHDKCAQOITD-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617744576 491123949 /nfs/dbraw/zinc/12/39/49/491123949.db2.gz YOYNHDKCAQOITD-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000313443217 491124759 /nfs/dbraw/zinc/12/47/59/491124759.db2.gz LQDKKTQLKWFIKE-UHFFFAOYSA-N 1 2 210.281 0.624 20 0 BCADLO Cc1cc(NCc2cn(C)nn2)nc[nH+]1 ZINC000309068356 491143987 /nfs/dbraw/zinc/14/39/87/491143987.db2.gz ANBQDWTXRBNEGK-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cn[nH]c2)C1 ZINC000309316539 491146789 /nfs/dbraw/zinc/14/67/89/491146789.db2.gz NYQOTWTUMGTPGH-QMMMGPOBSA-N 1 2 235.209 0.909 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000309316539 491146790 /nfs/dbraw/zinc/14/67/90/491146790.db2.gz NYQOTWTUMGTPGH-QMMMGPOBSA-N 1 2 235.209 0.909 20 0 BCADLO COCC[C@@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309629280 491153158 /nfs/dbraw/zinc/15/31/58/491153158.db2.gz HFIZHTOVTRZLOX-WPRPVWTQSA-N 1 2 227.308 0.766 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1O ZINC000310384613 491161256 /nfs/dbraw/zinc/16/12/56/491161256.db2.gz JUIZZFHIISMDQN-JTQLQIEISA-N 1 2 237.303 0.503 20 0 BCADLO Cc1n[nH]c(C[N@@H+](C)[C@H]2CCNC2=O)c1C ZINC000894094762 582457300 /nfs/dbraw/zinc/45/73/00/582457300.db2.gz MYMSBDHMOPWGML-JTQLQIEISA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C[N@H+](C)[C@H]2CCNC2=O)c1C ZINC000894094762 582457303 /nfs/dbraw/zinc/45/73/03/582457303.db2.gz MYMSBDHMOPWGML-JTQLQIEISA-N 1 2 222.292 0.347 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493814508 533906212 /nfs/dbraw/zinc/90/62/12/533906212.db2.gz DXTPDXJOKVKJRC-RTSAHYMOSA-N 1 2 235.243 0.243 20 0 BCADLO COC(=O)N1CC([NH2+][C@@H](C)c2ccn(C)n2)C1 ZINC000496736616 533933333 /nfs/dbraw/zinc/93/33/33/533933333.db2.gz SBFSGXQFKVCYBF-QMMMGPOBSA-N 1 2 238.291 0.521 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495599446 533943287 /nfs/dbraw/zinc/94/32/87/533943287.db2.gz ZYWIYAIAFALVNB-IUCAKERBSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495599446 533943298 /nfs/dbraw/zinc/94/32/98/533943298.db2.gz ZYWIYAIAFALVNB-IUCAKERBSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@H](CCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493194245 533964174 /nfs/dbraw/zinc/96/41/74/533964174.db2.gz UHKWSTGFUWTWBC-GKQMSVHHSA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)N1CC[NH+](Cc2cccn2C)CC1 ZINC000494349597 534005042 /nfs/dbraw/zinc/00/50/42/534005042.db2.gz OAFCRTIKLYMZTM-UHFFFAOYSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CCCS(C)(=O)=O ZINC000488183605 534021335 /nfs/dbraw/zinc/02/13/35/534021335.db2.gz XXDPIIPHMHIKRB-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CCCS(C)(=O)=O ZINC000488183605 534021346 /nfs/dbraw/zinc/02/13/46/534021346.db2.gz XXDPIIPHMHIKRB-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774981 534065132 /nfs/dbraw/zinc/06/51/32/534065132.db2.gz XLDQWPCNUVQRGU-SBXYHCFCSA-N 1 2 248.286 0.064 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)OCCCF ZINC000496050479 534065947 /nfs/dbraw/zinc/06/59/47/534065947.db2.gz ZUAISIIMCSSJNI-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO COC(=O)NCCC(=O)NCc1[nH]c[nH+]c1C ZINC000492969227 534068804 /nfs/dbraw/zinc/06/88/04/534068804.db2.gz SKZMGEAWUOQKRB-UHFFFAOYSA-N 1 2 240.263 0.080 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000347775317 535695894 /nfs/dbraw/zinc/69/58/94/535695894.db2.gz FZHFYCMXPHZYHK-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000347775317 535695897 /nfs/dbraw/zinc/69/58/97/535695897.db2.gz FZHFYCMXPHZYHK-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000334172204 535719416 /nfs/dbraw/zinc/71/94/16/535719416.db2.gz BKRQEZHRKIJSBD-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000334172204 535719422 /nfs/dbraw/zinc/71/94/22/535719422.db2.gz BKRQEZHRKIJSBD-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815563 534091441 /nfs/dbraw/zinc/09/14/41/534091441.db2.gz XODTVUSTIFKOFB-ZBIIHGBJSA-N 1 2 248.286 0.206 20 0 BCADLO C[C@H](CO)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493796411 534127130 /nfs/dbraw/zinc/12/71/30/534127130.db2.gz VHGGBTHZLASHDP-TUUFMJSCSA-N 1 2 209.249 0.262 20 0 BCADLO COCCOc1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000891582205 582699236 /nfs/dbraw/zinc/69/92/36/582699236.db2.gz PCQFZPWNCWSXJS-UHFFFAOYSA-N 1 2 242.275 0.222 20 0 BCADLO COCCOc1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000891582205 582699247 /nfs/dbraw/zinc/69/92/47/582699247.db2.gz PCQFZPWNCWSXJS-UHFFFAOYSA-N 1 2 242.275 0.222 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000495755822 534159621 /nfs/dbraw/zinc/15/96/21/534159621.db2.gz QVSFZBJKMCQWRO-RQJHMYQMSA-N 1 2 240.263 0.331 20 0 BCADLO C[C@H]1COCCN1c1cc(N(C)C)[nH+]cn1 ZINC000891755361 582716619 /nfs/dbraw/zinc/71/66/19/582716619.db2.gz VFNUCXFTVMTJBI-VIFPVBQESA-N 1 2 222.292 0.768 20 0 BCADLO C[C@H]1COCCN1c1cc(N(C)C)nc[nH+]1 ZINC000891755361 582716621 /nfs/dbraw/zinc/71/66/21/582716621.db2.gz VFNUCXFTVMTJBI-VIFPVBQESA-N 1 2 222.292 0.768 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497077092 534227590 /nfs/dbraw/zinc/22/75/90/534227590.db2.gz NFUUAMZCEXJOKU-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497077092 534227594 /nfs/dbraw/zinc/22/75/94/534227594.db2.gz NFUUAMZCEXJOKU-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO COCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000891940061 582741937 /nfs/dbraw/zinc/74/19/37/582741937.db2.gz AXMTYKAROPZCSC-UHFFFAOYSA-N 1 2 210.281 0.625 20 0 BCADLO COCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000891940061 582741943 /nfs/dbraw/zinc/74/19/43/582741943.db2.gz AXMTYKAROPZCSC-UHFFFAOYSA-N 1 2 210.281 0.625 20 0 BCADLO COC(=O)[C@@H](CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493330569 534254609 /nfs/dbraw/zinc/25/46/09/534254609.db2.gz YTYFJTMBFZWFLS-YAJNLLPGSA-N 1 2 241.222 0.050 20 0 BCADLO CN(C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174491058 536078547 /nfs/dbraw/zinc/07/85/47/536078547.db2.gz UYKYXOVXRGPKKW-NSHDSACASA-N 1 2 241.335 0.465 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492821977 534269499 /nfs/dbraw/zinc/26/94/99/534269499.db2.gz GGTTWZDTRGRHDE-XOULXFPDSA-N 1 2 245.286 0.824 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000493834189 534276773 /nfs/dbraw/zinc/27/67/73/534276773.db2.gz FRRZZUPPIWVQDO-ZBJFTSOASA-N 1 2 248.286 0.112 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000493298606 534276692 /nfs/dbraw/zinc/27/66/92/534276692.db2.gz VQWVKPVJEPNZFC-PKRMOACSSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC000493518845 534277575 /nfs/dbraw/zinc/27/75/75/534277575.db2.gz GVBOZTWXPPGTOO-XPDWMRMNSA-N 1 2 248.286 0.003 20 0 BCADLO C[C@@H](O)CN(C)c1nccn2c[nH+]cc12 ZINC000892003464 582759083 /nfs/dbraw/zinc/75/90/83/582759083.db2.gz BEDFCWYJUWZWHT-MRVPVSSYSA-N 1 2 206.249 0.546 20 0 BCADLO CN(C(=O)C[N@H+](C)Cc1ccnn1C)C1CC1 ZINC000348361922 536166972 /nfs/dbraw/zinc/16/69/72/536166972.db2.gz BJLQKABGZABKFJ-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO CN(C(=O)C[N@@H+](C)Cc1ccnn1C)C1CC1 ZINC000348361922 536166978 /nfs/dbraw/zinc/16/69/78/536166978.db2.gz BJLQKABGZABKFJ-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@@H]1O ZINC000488132544 534476978 /nfs/dbraw/zinc/47/69/78/534476978.db2.gz WSHIMRPKRAKKFY-SFYZADRCSA-N 1 2 246.261 0.356 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@@H]1O ZINC000488132544 534476985 /nfs/dbraw/zinc/47/69/85/534476985.db2.gz WSHIMRPKRAKKFY-SFYZADRCSA-N 1 2 246.261 0.356 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000892226252 582810547 /nfs/dbraw/zinc/81/05/47/582810547.db2.gz DYEMEAUBAKGQRV-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000892226252 582810549 /nfs/dbraw/zinc/81/05/49/582810549.db2.gz DYEMEAUBAKGQRV-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOCC1 ZINC000493417501 534786618 /nfs/dbraw/zinc/78/66/18/534786618.db2.gz JIVSHWFNHOFQKG-OWOJBTEDSA-N 1 2 207.233 0.282 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC[C@H]1CCOC1 ZINC000492871294 534803667 /nfs/dbraw/zinc/80/36/67/534803667.db2.gz XGEOHIVMYPWVDM-IYABHPQVSA-N 1 2 237.259 0.507 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](O)CC1 ZINC000492856854 534805468 /nfs/dbraw/zinc/80/54/68/534805468.db2.gz CKJCFBZSSXESCJ-NVBWPXJCSA-N 1 2 235.287 0.843 20 0 BCADLO O=C1OCC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000494084475 534812338 /nfs/dbraw/zinc/81/23/38/534812338.db2.gz AOANYDUYQUHGHX-SECBINFHSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ncccc3O)CCN12 ZINC000496962720 534816719 /nfs/dbraw/zinc/81/67/19/534816719.db2.gz MRXIJRNJGNFVEG-VIFPVBQESA-N 1 2 249.270 0.424 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ncccc3O)CCN12 ZINC000496962720 534816722 /nfs/dbraw/zinc/81/67/22/534816722.db2.gz MRXIJRNJGNFVEG-VIFPVBQESA-N 1 2 249.270 0.424 20 0 BCADLO CC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000334348234 534830862 /nfs/dbraw/zinc/83/08/62/534830862.db2.gz YMMKRJWKQPSCAW-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)[nH]1 ZINC000334348234 534830866 /nfs/dbraw/zinc/83/08/66/534830866.db2.gz YMMKRJWKQPSCAW-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO COC[C@](C)(O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892488128 582897462 /nfs/dbraw/zinc/89/74/62/582897462.db2.gz DVWITQOXDSBMTN-JOYOIKCWSA-N 1 2 240.303 0.944 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862357 526447502 /nfs/dbraw/zinc/44/75/02/526447502.db2.gz KMLJXWMMJIYALO-TUUFMJSCSA-N 1 2 221.260 0.907 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1c[nH+]c[nH]1 ZINC000179643792 536510680 /nfs/dbraw/zinc/51/06/80/536510680.db2.gz BUNZNAKNRGYCOT-ZJUUUORDSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1c[nH]c[nH+]1 ZINC000179643792 536510688 /nfs/dbraw/zinc/51/06/88/536510688.db2.gz BUNZNAKNRGYCOT-ZJUUUORDSA-N 1 2 239.275 0.172 20 0 BCADLO CC(C)(CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493084084 527051010 /nfs/dbraw/zinc/05/10/10/527051010.db2.gz KQOOMOCSAMGZNB-ONEGZZNKSA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)(CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493084083 527051123 /nfs/dbraw/zinc/05/11/23/527051123.db2.gz KQOOMOCSAMGZNB-ARJAWSKDSA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493465128 527205956 /nfs/dbraw/zinc/20/59/56/527205956.db2.gz YNDYDUBMIUFSQD-ARJAWSKDSA-N 1 2 209.249 0.310 20 0 BCADLO CC1(C)C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C(=O)O1 ZINC000493823440 527728983 /nfs/dbraw/zinc/72/89/83/527728983.db2.gz NSXBODBOGWXHSY-RTMURIBGSA-N 1 2 249.270 0.633 20 0 BCADLO CC(C)CC[C@@H](O)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000496247728 527812642 /nfs/dbraw/zinc/81/26/42/527812642.db2.gz PNLLOGGBYGBSDN-SNVBAGLBSA-N 1 2 242.319 0.578 20 0 BCADLO CC(C)OC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000496459421 527820270 /nfs/dbraw/zinc/82/02/70/527820270.db2.gz XDDKGDXVXQYSEQ-NXEZZACHSA-N 1 2 228.292 0.546 20 0 BCADLO CC(C)OC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000496459421 527820276 /nfs/dbraw/zinc/82/02/76/527820276.db2.gz XDDKGDXVXQYSEQ-NXEZZACHSA-N 1 2 228.292 0.546 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493325392 527864875 /nfs/dbraw/zinc/86/48/75/527864875.db2.gz SAUQOCLTMPQILG-DXMIZCBPSA-N 1 2 221.260 0.717 20 0 BCADLO CC(C)CN(C(=O)C[N@H+](C)CC(N)=O)C(C)C ZINC000505511173 527892703 /nfs/dbraw/zinc/89/27/03/527892703.db2.gz ARLCVKQSBLUKTB-UHFFFAOYSA-N 1 2 243.351 0.297 20 0 BCADLO CC(C)CN(C(=O)C[N@@H+](C)CC(N)=O)C(C)C ZINC000505511173 527892709 /nfs/dbraw/zinc/89/27/09/527892709.db2.gz ARLCVKQSBLUKTB-UHFFFAOYSA-N 1 2 243.351 0.297 20 0 BCADLO CCCN(CCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493748511 528087337 /nfs/dbraw/zinc/08/73/37/528087337.db2.gz QYBFTNMUAPKFGG-ONEGZZNKSA-N 1 2 223.276 0.654 20 0 BCADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(N)=O ZINC000505512104 528255575 /nfs/dbraw/zinc/25/55/75/528255575.db2.gz IUGZFVFRLZKFKM-SNVBAGLBSA-N 1 2 243.351 0.297 20 0 BCADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(N)=O ZINC000505512104 528255582 /nfs/dbraw/zinc/25/55/82/528255582.db2.gz IUGZFVFRLZKFKM-SNVBAGLBSA-N 1 2 243.351 0.297 20 0 BCADLO CCCNC(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493430903 528392711 /nfs/dbraw/zinc/39/27/11/528392711.db2.gz UVVODDHXKBYTAD-ONEGZZNKSA-N 1 2 236.275 0.065 20 0 BCADLO CCO/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000493428236 528451581 /nfs/dbraw/zinc/45/15/81/528451581.db2.gz WETARXRMKXZJJD-RUDMXATFSA-N 1 2 242.319 0.327 20 0 BCADLO CCO/C=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000493194382 528453224 /nfs/dbraw/zinc/45/32/24/528453224.db2.gz SHZJHXDVLNCGJP-QPJJXVBHSA-N 1 2 209.249 0.918 20 0 BCADLO CCOC(=O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493314891 528731165 /nfs/dbraw/zinc/73/11/65/528731165.db2.gz BRWXADFJADZWPR-ONEGZZNKSA-N 1 2 237.259 0.492 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492766612 528866566 /nfs/dbraw/zinc/86/65/66/528866566.db2.gz NBYJQPQCJDEKEI-ONEGZZNKSA-N 1 2 236.275 0.145 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](CC2(O)CCC2)C1 ZINC000496790527 529139899 /nfs/dbraw/zinc/13/98/99/529139899.db2.gz BXCIXCVHZIDCNZ-UHFFFAOYSA-N 1 2 242.319 0.720 20 0 BCADLO CCN1CC[N@H+](CCOC)[C@@H](C)C1=O ZINC000495198713 529146245 /nfs/dbraw/zinc/14/62/45/529146245.db2.gz DCYIZYWBDCTZNI-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@@H+](CCOC)[C@@H](C)C1=O ZINC000495198713 529146246 /nfs/dbraw/zinc/14/62/46/529146246.db2.gz DCYIZYWBDCTZNI-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@H+](CCn2cccn2)[C@@H](C)C1=O ZINC000495213102 529146250 /nfs/dbraw/zinc/14/62/50/529146250.db2.gz VZITVINBSHYTMN-NSHDSACASA-N 1 2 236.319 0.436 20 0 BCADLO CCN1CC[N@@H+](CCn2cccn2)[C@@H](C)C1=O ZINC000495213102 529146251 /nfs/dbraw/zinc/14/62/51/529146251.db2.gz VZITVINBSHYTMN-NSHDSACASA-N 1 2 236.319 0.436 20 0 BCADLO CCSCC[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000496139780 529179576 /nfs/dbraw/zinc/17/95/76/529179576.db2.gz JBUNXTCOUJCNIH-UHFFFAOYSA-N 1 2 230.333 0.876 20 0 BCADLO CC[C@@H]1C(=O)NCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493195959 529265120 /nfs/dbraw/zinc/26/51/20/529265120.db2.gz WMFDKSXFRPKKHQ-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@@H]1O ZINC000400096698 529298365 /nfs/dbraw/zinc/29/83/65/529298365.db2.gz XQXZDPCYZUJEDA-IUCAKERBSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@@H]1O ZINC000400096698 529298367 /nfs/dbraw/zinc/29/83/67/529298367.db2.gz XQXZDPCYZUJEDA-IUCAKERBSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnnn1C ZINC000505610017 529309973 /nfs/dbraw/zinc/30/99/73/529309973.db2.gz JUPXSWKXRSZDQH-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnnn1C ZINC000505610017 529309976 /nfs/dbraw/zinc/30/99/76/529309976.db2.gz JUPXSWKXRSZDQH-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H](CO)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493836683 529373822 /nfs/dbraw/zinc/37/38/22/529373822.db2.gz MZXIFELQZMFDFO-XNPJLODASA-N 1 2 223.276 0.652 20 0 BCADLO CC(C)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000069688245 534920127 /nfs/dbraw/zinc/92/01/27/534920127.db2.gz LRDSAUDABKAOEF-NSHDSACASA-N 1 2 228.336 0.415 20 0 BCADLO CC(C)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000171956442 534921903 /nfs/dbraw/zinc/92/19/03/534921903.db2.gz RTHYOHCBXXVUQX-NSHDSACASA-N 1 2 228.336 0.727 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178615462 534923160 /nfs/dbraw/zinc/92/31/60/534923160.db2.gz WWCIYYXPXVISFP-NWDGAFQWSA-N 1 2 239.363 0.395 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000177639512 534985195 /nfs/dbraw/zinc/98/51/95/534985195.db2.gz RHTSEUOECZOPAV-JTQLQIEISA-N 1 2 243.351 0.262 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000177639512 534985198 /nfs/dbraw/zinc/98/51/98/534985198.db2.gz RHTSEUOECZOPAV-JTQLQIEISA-N 1 2 243.351 0.262 20 0 BCADLO CCC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000335681257 535235575 /nfs/dbraw/zinc/23/55/75/535235575.db2.gz SBBLBPPCKCVHNT-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO CCC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000335681257 535235576 /nfs/dbraw/zinc/23/55/76/535235576.db2.gz SBBLBPPCKCVHNT-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000184838107 535254006 /nfs/dbraw/zinc/25/40/06/535254006.db2.gz VBQULZUQBBTNBV-NEPJUHHUSA-N 1 2 240.347 0.727 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549704 535311079 /nfs/dbraw/zinc/31/10/79/535311079.db2.gz TUIXTOSCVMKYEO-VIFPVBQESA-N 1 2 237.303 0.333 20 0 BCADLO CCC[N@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319961 535335390 /nfs/dbraw/zinc/33/53/90/535335390.db2.gz FGAAWBMHGUWTKI-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319961 535335396 /nfs/dbraw/zinc/33/53/96/535335396.db2.gz FGAAWBMHGUWTKI-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO CC1(C)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263089848 535342395 /nfs/dbraw/zinc/34/23/95/535342395.db2.gz YIEACUGYZLPVMB-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO CC[N@@H+](Cc1nnc2n1CCCC2)C[C@@H](C)O ZINC000352186451 535395970 /nfs/dbraw/zinc/39/59/70/535395970.db2.gz MBMUOGGEVUQGAU-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CC[N@H+](Cc1nnc2n1CCCC2)C[C@@H](C)O ZINC000352186451 535395972 /nfs/dbraw/zinc/39/59/72/535395972.db2.gz MBMUOGGEVUQGAU-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)OC)CC1 ZINC000049947268 535425820 /nfs/dbraw/zinc/42/58/20/535425820.db2.gz BZSXJDPIRSDMMN-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348098523 535583446 /nfs/dbraw/zinc/58/34/46/535583446.db2.gz UACBTUOYKDLYOT-HTQZYQBOSA-N 1 2 240.307 0.943 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000336114334 535717961 /nfs/dbraw/zinc/71/79/61/535717961.db2.gz OFVMBEYXZXHNJA-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOCC1(C)C ZINC000336114334 535717968 /nfs/dbraw/zinc/71/79/68/535717968.db2.gz OFVMBEYXZXHNJA-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000334317795 535721004 /nfs/dbraw/zinc/72/10/04/535721004.db2.gz RAOACNFLVJCSJE-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000334317795 535721012 /nfs/dbraw/zinc/72/10/12/535721012.db2.gz RAOACNFLVJCSJE-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CCN1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1=O ZINC000336109121 535721984 /nfs/dbraw/zinc/72/19/84/535721984.db2.gz ZIJIZSXNKRQQQJ-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CCN1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336180234 535734655 /nfs/dbraw/zinc/73/46/55/535734655.db2.gz OYIHCOOZXDEQPU-GFCCVEGCSA-N 1 2 237.347 0.387 20 0 BCADLO CCN1CCN(c2cc(C)[nH+]cn2)CC1=O ZINC000347856114 535743175 /nfs/dbraw/zinc/74/31/75/535743175.db2.gz DVBIBIXTJXVYFO-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO CCOC1CC(C[NH+]2CCS(=O)CC2)C1 ZINC000352001505 535754639 /nfs/dbraw/zinc/75/46/39/535754639.db2.gz BPJJBZIUYRYMHT-UHFFFAOYSA-N 1 2 231.361 0.866 20 0 BCADLO CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043468519 535791194 /nfs/dbraw/zinc/79/11/94/535791194.db2.gz JINGSJIZDDAITJ-UHFFFAOYSA-N 1 2 234.303 0.933 20 0 BCADLO CC[C@@H](NC(=O)c1nccnc1N)c1[nH]cc[nH+]1 ZINC000347944150 535802364 /nfs/dbraw/zinc/80/23/64/535802364.db2.gz DMLJHMFXWUQJHX-SSDOTTSWSA-N 1 2 246.274 0.663 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000178441304 535813435 /nfs/dbraw/zinc/81/34/35/535813435.db2.gz RIZRRRJNJUKIEZ-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000178441304 535813436 /nfs/dbraw/zinc/81/34/36/535813436.db2.gz RIZRRRJNJUKIEZ-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000407949248 535974994 /nfs/dbraw/zinc/97/49/94/535974994.db2.gz OAGWZORTIBQVLE-LLVKDONJSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000407949248 535975000 /nfs/dbraw/zinc/97/50/00/535975000.db2.gz OAGWZORTIBQVLE-LLVKDONJSA-N 1 2 224.308 0.563 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000347849779 536177551 /nfs/dbraw/zinc/17/75/51/536177551.db2.gz NEVRCJMRVSNIQY-GFCCVEGCSA-N 1 2 249.314 0.330 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000347849779 536177554 /nfs/dbraw/zinc/17/75/54/536177554.db2.gz NEVRCJMRVSNIQY-GFCCVEGCSA-N 1 2 249.314 0.330 20 0 BCADLO CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335333088 536313755 /nfs/dbraw/zinc/31/37/55/536313755.db2.gz VJUNOEGEXXHQPN-UHFFFAOYSA-N 1 2 208.265 0.929 20 0 BCADLO CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335333088 536313756 /nfs/dbraw/zinc/31/37/56/536313756.db2.gz VJUNOEGEXXHQPN-UHFFFAOYSA-N 1 2 208.265 0.929 20 0 BCADLO CN1CC[N@H+](Cc2cccc(N)c2)CC1=O ZINC000082774533 536416807 /nfs/dbraw/zinc/41/68/07/536416807.db2.gz JWVIRBCNFLPNIY-UHFFFAOYSA-N 1 2 219.288 0.543 20 0 BCADLO CN1CC[N@@H+](Cc2cccc(N)c2)CC1=O ZINC000082774533 536416809 /nfs/dbraw/zinc/41/68/09/536416809.db2.gz JWVIRBCNFLPNIY-UHFFFAOYSA-N 1 2 219.288 0.543 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1CCCC12CCC2 ZINC000335353871 536430292 /nfs/dbraw/zinc/43/02/92/536430292.db2.gz DBVSMWXRFJOYHT-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1CCCC12CCC2 ZINC000335353871 536430296 /nfs/dbraw/zinc/43/02/96/536430296.db2.gz DBVSMWXRFJOYHT-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO COC(=O)CN(Cc1[nH+]cc(C)n1C)C1CC1 ZINC000342774718 536467630 /nfs/dbraw/zinc/46/76/30/536467630.db2.gz GKWINEPYXGSJJT-UHFFFAOYSA-N 1 2 237.303 0.866 20 0 BCADLO COC[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248396850 536584911 /nfs/dbraw/zinc/58/49/11/536584911.db2.gz QTGXFHIKJVKJQB-HTQZYQBOSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248396850 536584916 /nfs/dbraw/zinc/58/49/16/536584916.db2.gz QTGXFHIKJVKJQB-HTQZYQBOSA-N 1 2 243.225 0.257 20 0 BCADLO COC(=O)[C@H](C)NCc1cccc2[nH+]ccn21 ZINC000348866947 536636611 /nfs/dbraw/zinc/63/66/11/536636611.db2.gz OJMNELDDDJSLFS-VIFPVBQESA-N 1 2 233.271 0.985 20 0 BCADLO COc1cc(C)cnc1C(=O)N1CC[NH+](C)CC1 ZINC000351512610 536679414 /nfs/dbraw/zinc/67/94/14/536679414.db2.gz HFBBNBNVZPGQAD-UHFFFAOYSA-N 1 2 249.314 0.786 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1C ZINC000342741876 536732173 /nfs/dbraw/zinc/73/21/73/536732173.db2.gz YMSHXXQJGVXIHB-HTQZYQBOSA-N 1 2 226.280 0.367 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1C ZINC000342741876 536732176 /nfs/dbraw/zinc/73/21/76/536732176.db2.gz YMSHXXQJGVXIHB-HTQZYQBOSA-N 1 2 226.280 0.367 20 0 BCADLO COC(=O)[C@H]([NH2+]CCN1CCCC1=O)C1CC1 ZINC000348204702 536734865 /nfs/dbraw/zinc/73/48/65/536734865.db2.gz TXIQEFOQJWEPIG-LLVKDONJSA-N 1 2 240.303 0.150 20 0 BCADLO COC[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263280391 536768589 /nfs/dbraw/zinc/76/85/89/536768589.db2.gz UENHMYWFECJUAA-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO COCC[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000077409200 536773616 /nfs/dbraw/zinc/77/36/16/536773616.db2.gz BSNCUMKVMWAAMK-UHFFFAOYSA-N 1 2 243.332 0.684 20 0 BCADLO COCC[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000077409200 536773625 /nfs/dbraw/zinc/77/36/25/536773625.db2.gz BSNCUMKVMWAAMK-UHFFFAOYSA-N 1 2 243.332 0.684 20 0 BCADLO COC(=O)[C@H]1CCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342771974 536808431 /nfs/dbraw/zinc/80/84/31/536808431.db2.gz AFNNVIFOXCCRER-JTQLQIEISA-N 1 2 237.303 0.723 20 0 BCADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000336010902 536841736 /nfs/dbraw/zinc/84/17/36/536841736.db2.gz MDIRWKFPIOMYIX-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000351730719 536843105 /nfs/dbraw/zinc/84/31/05/536843105.db2.gz RDFMBPHSQGGSGC-HTQZYQBOSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000351730719 536843113 /nfs/dbraw/zinc/84/31/13/536843113.db2.gz RDFMBPHSQGGSGC-HTQZYQBOSA-N 1 2 240.259 0.416 20 0 BCADLO C[C@@H](O)CCN(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892684439 582954481 /nfs/dbraw/zinc/95/44/81/582954481.db2.gz SAYXQHRKVXLDQZ-SSDOTTSWSA-N 1 2 237.307 0.538 20 0 BCADLO C[C@@H](O)CCN(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892684439 582954485 /nfs/dbraw/zinc/95/44/85/582954485.db2.gz SAYXQHRKVXLDQZ-SSDOTTSWSA-N 1 2 237.307 0.538 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cncnc1 ZINC000188920514 566299103 /nfs/dbraw/zinc/29/91/03/566299103.db2.gz HZFPUAIWEHBVMB-LBPRGKRZSA-N 1 2 248.330 0.823 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000188920514 566299106 /nfs/dbraw/zinc/29/91/06/566299106.db2.gz HZFPUAIWEHBVMB-LBPRGKRZSA-N 1 2 248.330 0.823 20 0 BCADLO CCc1cc(NCC[C@@H](O)COC)nc[nH+]1 ZINC000231563520 566313014 /nfs/dbraw/zinc/31/30/14/566313014.db2.gz VAZMQQYDQYCHOZ-SNVBAGLBSA-N 1 2 225.292 0.848 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332768508 566376628 /nfs/dbraw/zinc/37/66/28/566376628.db2.gz KEOWIXBDMIVPOH-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO CCn1cc(CNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000343166669 566437092 /nfs/dbraw/zinc/43/70/92/566437092.db2.gz TUJKEMYMFQHJIN-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CCn1cc(CNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000343166669 566437100 /nfs/dbraw/zinc/43/71/00/566437100.db2.gz TUJKEMYMFQHJIN-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CN(C)c1cc(N(C)C[C@H](O)C2CC2)nc[nH+]1 ZINC000892850009 582996027 /nfs/dbraw/zinc/99/60/27/582996027.db2.gz CVDJHNCDUWRTKG-JTQLQIEISA-N 1 2 236.319 0.750 20 0 BCADLO CN(C)c1cc(N(C)C[C@H](O)C2CC2)[nH+]cn1 ZINC000892850009 582996029 /nfs/dbraw/zinc/99/60/29/582996029.db2.gz CVDJHNCDUWRTKG-JTQLQIEISA-N 1 2 236.319 0.750 20 0 BCADLO CN(C)c1cc(N2C[C@@H](O)C(C)(C)C2)nc[nH+]1 ZINC000893579720 583166374 /nfs/dbraw/zinc/16/63/74/583166374.db2.gz KJONMAYDHVZAFB-SECBINFHSA-N 1 2 236.319 0.750 20 0 BCADLO CN(C)c1cc(N2C[C@@H](O)C(C)(C)C2)[nH+]cn1 ZINC000893579720 583166375 /nfs/dbraw/zinc/16/63/75/583166375.db2.gz KJONMAYDHVZAFB-SECBINFHSA-N 1 2 236.319 0.750 20 0 BCADLO COCC[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893673693 583192971 /nfs/dbraw/zinc/19/29/71/583192971.db2.gz NOXXMVMNIJXCHS-VHSXEESVSA-N 1 2 240.303 0.944 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCOC[C@@H]2C)C1(F)F ZINC000893963020 583257679 /nfs/dbraw/zinc/25/76/79/583257679.db2.gz XCJKTTFLQUVAEW-YIZRAAEISA-N 1 2 249.257 0.761 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](CO)C2)c1C ZINC000893987716 583269662 /nfs/dbraw/zinc/26/96/62/583269662.db2.gz ZXCMGFQQWQWADL-SNVBAGLBSA-N 1 2 209.293 0.841 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](CO)C2)c1C ZINC000893987716 583269664 /nfs/dbraw/zinc/26/96/64/583269664.db2.gz ZXCMGFQQWQWADL-SNVBAGLBSA-N 1 2 209.293 0.841 20 0 BCADLO COC1C[NH+](C[C@H](O)c2ccccn2)C1 ZINC000853064035 588718409 /nfs/dbraw/zinc/71/84/09/588718409.db2.gz PEUMSZAHZLAKGG-NSHDSACASA-N 1 2 208.261 0.446 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853096761 588719684 /nfs/dbraw/zinc/71/96/84/588719684.db2.gz LJWYNKFXORWQGU-LBPRGKRZSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2cc(F)ncn2)CCO1 ZINC000853250938 588729268 /nfs/dbraw/zinc/72/92/68/588729268.db2.gz HBQJOFCQWRVBFE-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2cc(F)ncn2)CCO1 ZINC000853250938 588729269 /nfs/dbraw/zinc/72/92/69/588729269.db2.gz HBQJOFCQWRVBFE-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2cnc(F)cn2)C1 ZINC000853316275 588732388 /nfs/dbraw/zinc/73/23/88/588732388.db2.gz LZSJRORUVTYECT-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2cnc(F)cn2)C1 ZINC000853316275 588732389 /nfs/dbraw/zinc/73/23/89/588732389.db2.gz LZSJRORUVTYECT-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO Fc1cnc(N2CC(n3cc[nH+]c3)C2)cn1 ZINC000853444715 588743595 /nfs/dbraw/zinc/74/35/95/588743595.db2.gz KJJRSEWHPJVJBO-UHFFFAOYSA-N 1 2 219.223 0.874 20 0 BCADLO Cc1nn(C[N@@H+](C(C)C)C2CC2)c(=O)o1 ZINC000853489567 588745483 /nfs/dbraw/zinc/74/54/83/588745483.db2.gz SNXIDMBWYBKTOO-UHFFFAOYSA-N 1 2 211.265 0.975 20 0 BCADLO Cc1nn(C[N@H+](C(C)C)C2CC2)c(=O)o1 ZINC000853489567 588745484 /nfs/dbraw/zinc/74/54/84/588745484.db2.gz SNXIDMBWYBKTOO-UHFFFAOYSA-N 1 2 211.265 0.975 20 0 BCADLO Cc1nn(C[NH+]2CCC(C)CC2)c(=O)o1 ZINC000853488150 588745491 /nfs/dbraw/zinc/74/54/91/588745491.db2.gz VLJGWBGFDXUOPO-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(=O)o1 ZINC000853503823 588746445 /nfs/dbraw/zinc/74/64/45/588746445.db2.gz KYBQPAFFZXZUQG-SCZZXKLOSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(=O)o1 ZINC000853503823 588746446 /nfs/dbraw/zinc/74/64/46/588746446.db2.gz KYBQPAFFZXZUQG-SCZZXKLOSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c(=O)o1 ZINC000853500306 588746510 /nfs/dbraw/zinc/74/65/10/588746510.db2.gz QDJOJCXYNMLUKW-HTQZYQBOSA-N 1 2 211.265 0.690 20 0 BCADLO C[C@H]1CCN(C[N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853557006 588748817 /nfs/dbraw/zinc/74/88/17/588748817.db2.gz HHMPAKPMPIYUTN-WDEREUQCSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@H]1CCN(C[N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853557006 588748818 /nfs/dbraw/zinc/74/88/18/588748818.db2.gz HHMPAKPMPIYUTN-WDEREUQCSA-N 1 2 242.319 0.160 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)CCC1=O ZINC000853635700 588751124 /nfs/dbraw/zinc/75/11/24/588751124.db2.gz FKWLSNGYJNYDIP-UHFFFAOYSA-N 1 2 207.233 0.112 20 0 BCADLO Fc1cnc(N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000853636719 588751477 /nfs/dbraw/zinc/75/14/77/588751477.db2.gz HPKLOEAAQWHRRV-UHFFFAOYSA-N 1 2 219.223 0.902 20 0 BCADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(C)oc1=O ZINC000853503740 588746409 /nfs/dbraw/zinc/74/64/09/588746409.db2.gz VVTOHDXBZCXMGP-VIFPVBQESA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)oc1=O ZINC000853503740 588746410 /nfs/dbraw/zinc/74/64/10/588746410.db2.gz VVTOHDXBZCXMGP-VIFPVBQESA-N 1 2 243.332 0.930 20 0 BCADLO NC(CCO)=[NH+]OCc1cccnc1N ZINC000853686624 588756007 /nfs/dbraw/zinc/75/60/07/588756007.db2.gz CJKBJNGRXMBJJD-UHFFFAOYSA-N 1 2 210.237 0.045 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1COCO1 ZINC000853686083 588756079 /nfs/dbraw/zinc/75/60/79/588756079.db2.gz FDHXRWSWUMXLAU-ZETCQYMHSA-N 1 2 235.247 0.148 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698415 588757813 /nfs/dbraw/zinc/75/78/13/588757813.db2.gz QOAHERHLCUJVCN-SFYZADRCSA-N 1 2 202.254 0.435 20 0 BCADLO COCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853741304 588760762 /nfs/dbraw/zinc/76/07/62/588760762.db2.gz FLTGHSQPVKNYOD-UHFFFAOYSA-N 1 2 232.280 0.327 20 0 BCADLO CCONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854000961 588770463 /nfs/dbraw/zinc/77/04/63/588770463.db2.gz BIZNPEJEJFKMDQ-ZJUUUORDSA-N 1 2 245.323 0.346 20 0 BCADLO CCONC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854000961 588770464 /nfs/dbraw/zinc/77/04/64/588770464.db2.gz BIZNPEJEJFKMDQ-ZJUUUORDSA-N 1 2 245.323 0.346 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccsc1 ZINC000854114757 588774854 /nfs/dbraw/zinc/77/48/54/588774854.db2.gz LNZGEODCFLAHQX-BDAKNGLRSA-N 1 2 226.301 0.169 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccsc1 ZINC000854114757 588774855 /nfs/dbraw/zinc/77/48/55/588774855.db2.gz LNZGEODCFLAHQX-BDAKNGLRSA-N 1 2 226.301 0.169 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOCC1CC1 ZINC000854090634 588774522 /nfs/dbraw/zinc/77/45/22/588774522.db2.gz ISRSJAPUEXIZRB-UHFFFAOYSA-N 1 2 224.264 0.893 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOCC1CC1 ZINC000854090634 588774523 /nfs/dbraw/zinc/77/45/23/588774523.db2.gz ISRSJAPUEXIZRB-UHFFFAOYSA-N 1 2 224.264 0.893 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NN1CCCC1 ZINC000854326106 588783829 /nfs/dbraw/zinc/78/38/29/588783829.db2.gz GFJIJTAYBICLAZ-UHFFFAOYSA-N 1 2 208.265 0.090 20 0 BCADLO O=C(C=C1CCC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353202 588784779 /nfs/dbraw/zinc/78/47/79/588784779.db2.gz SSIHARBOYFUTGV-ZDUSSCGKSA-N 1 2 249.358 0.603 20 0 BCADLO O=C(C=C1CCC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353202 588784780 /nfs/dbraw/zinc/78/47/80/588784780.db2.gz SSIHARBOYFUTGV-ZDUSSCGKSA-N 1 2 249.358 0.603 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000854419943 588786287 /nfs/dbraw/zinc/78/62/87/588786287.db2.gz ZMDAPZBODZJYPR-MWLCHTKSSA-N 1 2 248.286 0.479 20 0 BCADLO COC(OC)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000854464735 588788385 /nfs/dbraw/zinc/78/83/85/588788385.db2.gz QOUKYCZFNGJXKD-QMMMGPOBSA-N 1 2 241.291 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1NC(=O)O[C@H]1C)c1[nH]cc[nH+]1 ZINC000854594081 588796509 /nfs/dbraw/zinc/79/65/09/588796509.db2.gz CXDJUCJWEFBUSK-DSYKOEDSSA-N 1 2 238.247 0.084 20 0 BCADLO C[C@@H](NC(=O)[C@@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000854594390 588796244 /nfs/dbraw/zinc/79/62/44/588796244.db2.gz KGAPJPFVNIEWFQ-SVRRBLITSA-N 1 2 209.249 0.358 20 0 BCADLO CCCn1nccc1C(=O)NCc1c[nH+]cn1C ZINC000854498873 588789570 /nfs/dbraw/zinc/78/95/70/588789570.db2.gz MSIBFZQDTRWADV-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854498722 588789575 /nfs/dbraw/zinc/78/95/75/588789575.db2.gz KZHFWRKWMSCHHS-SECBINFHSA-N 1 2 222.248 0.201 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000854662550 588799347 /nfs/dbraw/zinc/79/93/47/588799347.db2.gz DVOVSLFAUABZCI-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000854684512 588801178 /nfs/dbraw/zinc/80/11/78/588801178.db2.gz AGWRGTQNDNBTPJ-DTWKUNHWSA-N 1 2 234.259 0.609 20 0 BCADLO C[NH+](C)CCONC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000854690821 588801753 /nfs/dbraw/zinc/80/17/53/588801753.db2.gz MGKJNZJFRWFSLM-BXKDBHETSA-N 1 2 242.319 0.411 20 0 BCADLO CC1(C)OCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854746409 588804976 /nfs/dbraw/zinc/80/49/76/588804976.db2.gz ZDMODXOYTCTZNS-QMMMGPOBSA-N 1 2 223.276 0.636 20 0 BCADLO COC[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854742224 588805008 /nfs/dbraw/zinc/80/50/08/588805008.db2.gz BHQJNKRCQCFQHE-GFCCVEGCSA-N 1 2 237.303 0.837 20 0 BCADLO CC1(C)OCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854746408 588805091 /nfs/dbraw/zinc/80/50/91/588805091.db2.gz ZDMODXOYTCTZNS-MRVPVSSYSA-N 1 2 223.276 0.636 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](O)C(F)F ZINC000854747666 588805212 /nfs/dbraw/zinc/80/52/12/588805212.db2.gz HIOBPCXWUPINAF-IMTBSYHQSA-N 1 2 247.245 0.473 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C1CCC1 ZINC000854888033 588815576 /nfs/dbraw/zinc/81/55/76/588815576.db2.gz NQPGLDDOZDWGFS-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO COC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854892265 588815590 /nfs/dbraw/zinc/81/55/90/588815590.db2.gz SNSJAUFDLZUALN-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000854905223 588816467 /nfs/dbraw/zinc/81/64/67/588816467.db2.gz MEKRNRBLIDHBGZ-IUCAKERBSA-N 1 2 223.276 0.636 20 0 BCADLO CCn1ccc(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000854931862 588816980 /nfs/dbraw/zinc/81/69/80/588816980.db2.gz QQYQUBIJONWUCX-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO C[C@@H](C(=O)NOCC[NH+](C)C)c1ccnn1C ZINC000854947306 588818304 /nfs/dbraw/zinc/81/83/04/588818304.db2.gz PUHDXCHKMFBPQA-SECBINFHSA-N 1 2 240.307 0.133 20 0 BCADLO COCC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000855048836 588821793 /nfs/dbraw/zinc/82/17/93/588821793.db2.gz GVMPRYLLHDQQBX-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO CCO/C=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135072 588822851 /nfs/dbraw/zinc/82/28/51/588822851.db2.gz CUFQMSUGKZKOKJ-PLNGDYQASA-N 1 2 209.249 0.918 20 0 BCADLO CCO/C=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135072 588822852 /nfs/dbraw/zinc/82/28/52/588822852.db2.gz CUFQMSUGKZKOKJ-PLNGDYQASA-N 1 2 209.249 0.918 20 0 BCADLO COC(=O)NCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134785 588822861 /nfs/dbraw/zinc/82/28/61/588822861.db2.gz ZZDHGTYTWFEKEE-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO COC(=O)NCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134785 588822862 /nfs/dbraw/zinc/82/28/62/588822862.db2.gz ZZDHGTYTWFEKEE-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO COc1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000855134158 588822881 /nfs/dbraw/zinc/82/28/81/588822881.db2.gz GZZMPMGMJWTTOA-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO COc1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000855134158 588822882 /nfs/dbraw/zinc/82/28/82/588822882.db2.gz GZZMPMGMJWTTOA-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO CCOC(=O)NCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134350 588823046 /nfs/dbraw/zinc/82/30/46/588823046.db2.gz LJCGSLYRDMJPPE-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO CCOC(=O)NCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134350 588823047 /nfs/dbraw/zinc/82/30/47/588823047.db2.gz LJCGSLYRDMJPPE-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](O)C(C)(C)C ZINC000855135972 588823345 /nfs/dbraw/zinc/82/33/45/588823345.db2.gz KAMDIJGKSQAQDW-SECBINFHSA-N 1 2 225.292 0.775 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](O)C(C)(C)C ZINC000855135972 588823346 /nfs/dbraw/zinc/82/33/46/588823346.db2.gz KAMDIJGKSQAQDW-SECBINFHSA-N 1 2 225.292 0.775 20 0 BCADLO CC1=NO[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000855136316 588823445 /nfs/dbraw/zinc/82/34/45/588823445.db2.gz OPPLBPHFGLAVNJ-VIFPVBQESA-N 1 2 222.248 0.533 20 0 BCADLO CC1=NO[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000855136316 588823446 /nfs/dbraw/zinc/82/34/46/588823446.db2.gz OPPLBPHFGLAVNJ-VIFPVBQESA-N 1 2 222.248 0.533 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CO1 ZINC000855174722 588825363 /nfs/dbraw/zinc/82/53/63/588825363.db2.gz XAAXNVMMWSDSLI-MRVPVSSYSA-N 1 2 223.276 0.636 20 0 BCADLO CC1(C)C[N@H+](CN2CCCC2=O)CCO1 ZINC000113240321 588827765 /nfs/dbraw/zinc/82/77/65/588827765.db2.gz QRIMVRMODWZRBC-UHFFFAOYSA-N 1 2 212.293 0.677 20 0 BCADLO CC1(C)C[N@@H+](CN2CCCC2=O)CCO1 ZINC000113240321 588827766 /nfs/dbraw/zinc/82/77/66/588827766.db2.gz QRIMVRMODWZRBC-UHFFFAOYSA-N 1 2 212.293 0.677 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1CCCC1=O ZINC000113239914 588827867 /nfs/dbraw/zinc/82/78/67/588827867.db2.gz OHSBNZROHBSOPT-ZJUUUORDSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1CCCC1=O ZINC000113239914 588827868 /nfs/dbraw/zinc/82/78/68/588827868.db2.gz OHSBNZROHBSOPT-ZJUUUORDSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(F)F)[C@@H](C)CO1 ZINC000855413533 588831695 /nfs/dbraw/zinc/83/16/95/588831695.db2.gz MUKKGYZWGOWOHA-JGVFFNPUSA-N 1 2 236.262 0.477 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(F)F)[C@@H](C)CO1 ZINC000855413533 588831696 /nfs/dbraw/zinc/83/16/96/588831696.db2.gz MUKKGYZWGOWOHA-JGVFFNPUSA-N 1 2 236.262 0.477 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCC[C@@H](O)C2CC2)c1 ZINC000890710528 582511579 /nfs/dbraw/zinc/51/15/79/582511579.db2.gz MPJFCMWDZKJRFX-ZYOFXKKJSA-N 1 2 249.314 0.711 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](O)C1CC1 ZINC000890720873 582515617 /nfs/dbraw/zinc/51/56/17/582515617.db2.gz UJSJUWPJJPQXOA-LLVKDONJSA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@@H](O)C1CC1 ZINC000890720873 582515620 /nfs/dbraw/zinc/51/56/20/582515620.db2.gz UJSJUWPJJPQXOA-LLVKDONJSA-N 1 2 237.303 0.538 20 0 BCADLO CC[C@H](NCc1cnn(C)n1)c1[nH+]ccn1C ZINC000806167909 582520721 /nfs/dbraw/zinc/52/07/21/582520721.db2.gz BZCKQQZEBOHKAT-JTQLQIEISA-N 1 2 234.307 0.790 20 0 BCADLO CCC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000890733225 582523629 /nfs/dbraw/zinc/52/36/29/582523629.db2.gz GTDGWPFYXKSZLU-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO CCC[C@H](NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000890733225 582523630 /nfs/dbraw/zinc/52/36/30/582523630.db2.gz GTDGWPFYXKSZLU-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000890990160 582594181 /nfs/dbraw/zinc/59/41/81/582594181.db2.gz LLQGVJABARDNQX-WCBMZHEXSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000890990159 582594211 /nfs/dbraw/zinc/59/42/11/582594211.db2.gz LLQGVJABARDNQX-SCZZXKLOSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891041961 582599872 /nfs/dbraw/zinc/59/98/72/582599872.db2.gz LGFAMJCZSIFZHK-UWVGGRQHSA-N 1 2 235.287 0.493 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891048035 582601601 /nfs/dbraw/zinc/60/16/01/582601601.db2.gz IODXWOQDZJDUAN-RYUDHWBXSA-N 1 2 249.314 0.504 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094649 582658379 /nfs/dbraw/zinc/65/83/79/582658379.db2.gz DOIBWVIGCAFHRF-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CN(CC1C[NH+](C)C1)C(=O)[C@H](F)C(F)(F)F ZINC000855641724 588841969 /nfs/dbraw/zinc/84/19/69/588841969.db2.gz PMRMGBARZFWPTQ-ZETCQYMHSA-N 1 2 242.216 0.907 20 0 BCADLO CN(CC1C[NH+](C)C1)C(=O)C(F)C(F)(F)F ZINC000855641724 588841970 /nfs/dbraw/zinc/84/19/70/588841970.db2.gz PMRMGBARZFWPTQ-ZETCQYMHSA-N 1 2 242.216 0.907 20 0 BCADLO CON1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000846983723 582673045 /nfs/dbraw/zinc/67/30/45/582673045.db2.gz LSZQMUXNWAAGEG-UHFFFAOYSA-N 1 2 249.314 0.465 20 0 BCADLO CN(C)c1cc(N2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000891493748 582693240 /nfs/dbraw/zinc/69/32/40/582693240.db2.gz VSXAKFRKLVYUSP-VIFPVBQESA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CCC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000891493748 582693241 /nfs/dbraw/zinc/69/32/41/582693241.db2.gz VSXAKFRKLVYUSP-VIFPVBQESA-N 1 2 249.318 0.244 20 0 BCADLO C[C@H](O)c1cccc(NCC(=O)N(C)C)[nH+]1 ZINC000891546275 582695985 /nfs/dbraw/zinc/69/59/85/582695985.db2.gz TYDFCOAXADPOCW-QMMMGPOBSA-N 1 2 223.276 0.635 20 0 BCADLO Cn1cnc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000891558618 582696603 /nfs/dbraw/zinc/69/66/03/582696603.db2.gz RUJUZMDURYAPLO-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc2[nH]c(=O)oc21 ZINC000891581458 582699022 /nfs/dbraw/zinc/69/90/22/582699022.db2.gz IUXFTSDWJDZBLN-UHFFFAOYSA-N 1 2 235.243 0.451 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc2[nH]c(=O)oc21 ZINC000891581458 582699023 /nfs/dbraw/zinc/69/90/23/582699023.db2.gz IUXFTSDWJDZBLN-UHFFFAOYSA-N 1 2 235.243 0.451 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@](O)(C2CC2)C1 ZINC000855696818 588845403 /nfs/dbraw/zinc/84/54/03/588845403.db2.gz FVEVQWZWQSOEGU-ZDUSSCGKSA-N 1 2 249.314 0.716 20 0 BCADLO CCn1cc(C[N@@H+]2CCCNC(=O)C2)c(C)n1 ZINC000891809849 582724994 /nfs/dbraw/zinc/72/49/94/582724994.db2.gz OXTKFCKMIRSAQT-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO CCn1cc(C[N@H+]2CCCNC(=O)C2)c(C)n1 ZINC000891809849 582724998 /nfs/dbraw/zinc/72/49/98/582724998.db2.gz OXTKFCKMIRSAQT-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO O=C1C[N@H+](Cc2cccc3c2OCC3)CCCN1 ZINC000891810345 582725128 /nfs/dbraw/zinc/72/51/28/582725128.db2.gz UNZATUWDIYJZRF-UHFFFAOYSA-N 1 2 246.310 0.943 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3c2OCC3)CCCN1 ZINC000891810345 582725130 /nfs/dbraw/zinc/72/51/30/582725130.db2.gz UNZATUWDIYJZRF-UHFFFAOYSA-N 1 2 246.310 0.943 20 0 BCADLO CN(C)c1cc(NC[C@H]2COCCO2)[nH+]cn1 ZINC000891916365 582738189 /nfs/dbraw/zinc/73/81/89/582738189.db2.gz ACDHGGPOGYDRAD-VIFPVBQESA-N 1 2 238.291 0.370 20 0 BCADLO CN(C)c1cc(NC[C@H]2COCCO2)nc[nH+]1 ZINC000891916365 582738190 /nfs/dbraw/zinc/73/81/90/582738190.db2.gz ACDHGGPOGYDRAD-VIFPVBQESA-N 1 2 238.291 0.370 20 0 BCADLO CCc1[nH]nc(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000892064571 582782148 /nfs/dbraw/zinc/78/21/48/582782148.db2.gz DBFBBGBTUQQORU-DTORHVGOSA-N 1 2 245.710 0.163 20 0 BCADLO CCc1[nH]nc(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000892064571 582782151 /nfs/dbraw/zinc/78/21/51/582782151.db2.gz DBFBBGBTUQQORU-DTORHVGOSA-N 1 2 245.710 0.163 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@]12C[C@H]1COC2 ZINC000889120458 582803767 /nfs/dbraw/zinc/80/37/67/582803767.db2.gz GVCYFKBGSCJNGQ-SBMIAAHKSA-N 1 2 248.286 0.416 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000892226251 582810925 /nfs/dbraw/zinc/81/09/25/582810925.db2.gz DYEMEAUBAKGQRV-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000892226251 582810927 /nfs/dbraw/zinc/81/09/27/582810927.db2.gz DYEMEAUBAKGQRV-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000214567337 582821299 /nfs/dbraw/zinc/82/12/99/582821299.db2.gz YBRRFDIZJSXRHQ-NAZIUFLLSA-N 1 2 240.303 0.316 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(\C)C(=O)OC ZINC000214567337 582821300 /nfs/dbraw/zinc/82/13/00/582821300.db2.gz YBRRFDIZJSXRHQ-NAZIUFLLSA-N 1 2 240.303 0.316 20 0 BCADLO C[C@@H](O)c1cccc(NCCn2cncn2)[nH+]1 ZINC000892326980 582850264 /nfs/dbraw/zinc/85/02/64/582850264.db2.gz GOGQXPFEBWIVLF-SECBINFHSA-N 1 2 233.275 0.839 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC23CC(O)C3)c[nH+]1 ZINC000888965177 582864762 /nfs/dbraw/zinc/86/47/62/582864762.db2.gz PLOMJLRLYSJRBR-DMGUCSGOSA-N 1 2 221.260 0.361 20 0 BCADLO C[C@H](C1CC1)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000782182384 582870359 /nfs/dbraw/zinc/87/03/59/582870359.db2.gz YWSVHZPYIJTLKK-SNVBAGLBSA-N 1 2 248.330 0.867 20 0 BCADLO C[C@H](C1CC1)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000782182384 582870361 /nfs/dbraw/zinc/87/03/61/582870361.db2.gz YWSVHZPYIJTLKK-SNVBAGLBSA-N 1 2 248.330 0.867 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@H]1CCOC1 ZINC000892404857 582877230 /nfs/dbraw/zinc/87/72/30/582877230.db2.gz KSEMJXXQHJCTCP-VIFPVBQESA-N 1 2 218.260 0.954 20 0 BCADLO CC[S@](=O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000892453726 582890484 /nfs/dbraw/zinc/89/04/84/582890484.db2.gz WBSPMEXDEXDKBQ-INIZCTEOSA-N 1 2 242.348 0.723 20 0 BCADLO COC[C@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000850203196 582906132 /nfs/dbraw/zinc/90/61/32/582906132.db2.gz NVQRJIBYBVOPNQ-VIFPVBQESA-N 1 2 240.259 0.368 20 0 BCADLO Cc1cc(NCCC2CS(=O)(=O)C2)nc[nH+]1 ZINC000393738638 582921194 /nfs/dbraw/zinc/92/11/94/582921194.db2.gz AAPBDBOFQOPBDD-UHFFFAOYSA-N 1 2 241.316 0.054 20 0 BCADLO CCCN(CCO)c1cc(N(C)C)[nH+]cn1 ZINC000892625937 582932890 /nfs/dbraw/zinc/93/28/90/582932890.db2.gz JUIJNMLBXUMCDJ-UHFFFAOYSA-N 1 2 224.308 0.751 20 0 BCADLO CCCN(CCO)c1cc(N(C)C)nc[nH+]1 ZINC000892625937 582932893 /nfs/dbraw/zinc/93/28/93/582932893.db2.gz JUIJNMLBXUMCDJ-UHFFFAOYSA-N 1 2 224.308 0.751 20 0 BCADLO C[C@H](NC(=O)C(F)F)c1[nH+]ccn1C ZINC000856275380 588866309 /nfs/dbraw/zinc/86/63/09/588866309.db2.gz BJYRVBSBFPOUCK-YFKPBYRVSA-N 1 2 203.192 0.862 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000783878383 582968112 /nfs/dbraw/zinc/96/81/12/582968112.db2.gz NRQCAWJAWVCTIB-WDEREUQCSA-N 1 2 238.287 0.977 20 0 BCADLO C[C@H](NC(=O)C1=COCCO1)c1[nH+]ccn1C ZINC000856275394 588866438 /nfs/dbraw/zinc/86/64/38/588866438.db2.gz BRGHISONJJPJMZ-QMMMGPOBSA-N 1 2 237.259 0.486 20 0 BCADLO C[C@@H](NC(=O)c1cnsn1)c1[nH+]ccn1C ZINC000856278019 588866626 /nfs/dbraw/zinc/86/66/26/588866626.db2.gz VSJQVAMOHGLWPM-ZCFIWIBFSA-N 1 2 237.288 0.763 20 0 BCADLO C[C@H](NC(=O)CC1(O)CCC1)c1[nH+]ccn1C ZINC000856280141 588866929 /nfs/dbraw/zinc/86/69/29/588866929.db2.gz JXJDYXKGAKMIMQ-VIFPVBQESA-N 1 2 237.303 0.902 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC/C=C/Cl ZINC000892764932 582977986 /nfs/dbraw/zinc/97/79/86/582977986.db2.gz OXXWCJPVJWFQPF-NSCUHMNNSA-N 1 2 228.683 0.972 20 0 BCADLO C[C@H]1CO[C@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000892775606 582979795 /nfs/dbraw/zinc/97/97/95/582979795.db2.gz GJSMBJZAXHSLEA-SCZZXKLOSA-N 1 2 224.260 0.888 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852439659 583013960 /nfs/dbraw/zinc/01/39/60/583013960.db2.gz DXWQKJLTQJHHKR-VIFPVBQESA-N 1 2 238.247 0.096 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852439659 583013964 /nfs/dbraw/zinc/01/39/64/583013964.db2.gz DXWQKJLTQJHHKR-VIFPVBQESA-N 1 2 238.247 0.096 20 0 BCADLO CN(C)c1cc(NC[C@@]2(O)CCOC2)[nH+]cn1 ZINC000892980477 583024808 /nfs/dbraw/zinc/02/48/08/583024808.db2.gz LTHCXUXSJBISDJ-NSHDSACASA-N 1 2 238.291 0.106 20 0 BCADLO CN(C)c1cc(NC[C@@]2(O)CCOC2)nc[nH+]1 ZINC000892980477 583024810 /nfs/dbraw/zinc/02/48/10/583024810.db2.gz LTHCXUXSJBISDJ-NSHDSACASA-N 1 2 238.291 0.106 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@H]1CCNC1=O ZINC000893018794 583030287 /nfs/dbraw/zinc/03/02/87/583030287.db2.gz LVPZKBMMIRUPAK-QMMMGPOBSA-N 1 2 231.259 0.054 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@@H]1CCNC1=O ZINC000893018793 583030357 /nfs/dbraw/zinc/03/03/57/583030357.db2.gz LVPZKBMMIRUPAK-MRVPVSSYSA-N 1 2 231.259 0.054 20 0 BCADLO CC[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1O ZINC000893030973 583032993 /nfs/dbraw/zinc/03/29/93/583032993.db2.gz VSLWTPKHMLARKA-VHSXEESVSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1O ZINC000893030973 583032995 /nfs/dbraw/zinc/03/29/95/583032995.db2.gz VSLWTPKHMLARKA-VHSXEESVSA-N 1 2 236.319 0.750 20 0 BCADLO COC[C@H](O)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893050190 583037204 /nfs/dbraw/zinc/03/72/04/583037204.db2.gz IIMOWGOAYQONOR-NXEZZACHSA-N 1 2 240.303 0.944 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893080486 583044745 /nfs/dbraw/zinc/04/47/45/583044745.db2.gz PAQPMGUZEDYZMJ-PSASIEDQSA-N 1 2 218.260 0.546 20 0 BCADLO OCC1CN(c2nccn3c[nH+]cc23)C1 ZINC000893142789 583056238 /nfs/dbraw/zinc/05/62/38/583056238.db2.gz UCZMNSCMQAXPFO-UHFFFAOYSA-N 1 2 204.233 0.158 20 0 BCADLO CC[C@H](CCO)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893146880 583057133 /nfs/dbraw/zinc/05/71/33/583057133.db2.gz PTZHEPSZDRNJOO-SECBINFHSA-N 1 2 240.307 0.380 20 0 BCADLO CCN1CCN(c2cc(NC)[nH+]cn2)CC1=O ZINC000893164428 583061064 /nfs/dbraw/zinc/06/10/64/583061064.db2.gz QFRPBIWVYSBBOB-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CCN1CCN(c2cc(NC)nc[nH+]2)CC1=O ZINC000893164428 583061067 /nfs/dbraw/zinc/06/10/67/583061067.db2.gz QFRPBIWVYSBBOB-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CN(CC1(O)CCC1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000893169292 583062879 /nfs/dbraw/zinc/06/28/79/583062879.db2.gz YYEBPSNRVFLQFB-UHFFFAOYSA-N 1 2 249.318 0.682 20 0 BCADLO CN(CC1(O)CCC1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000893169292 583062880 /nfs/dbraw/zinc/06/28/80/583062880.db2.gz YYEBPSNRVFLQFB-UHFFFAOYSA-N 1 2 249.318 0.682 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000856765445 588876243 /nfs/dbraw/zinc/87/62/43/588876243.db2.gz ZTLFLMAMOUEVHC-UHFFFAOYSA-N 1 2 244.726 0.688 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856765124 588876342 /nfs/dbraw/zinc/87/63/42/588876342.db2.gz WGFJPHFGMFDHES-ZETCQYMHSA-N 1 2 244.726 0.688 20 0 BCADLO C[C@H](O)c1cccc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000893274705 583082715 /nfs/dbraw/zinc/08/27/15/583082715.db2.gz QQLASHVBVBNFQP-UWVGGRQHSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@@H](O)c1cccc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000893274709 583082726 /nfs/dbraw/zinc/08/27/26/583082726.db2.gz QQLASHVBVBNFQP-VHSXEESVSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000310048255 583085791 /nfs/dbraw/zinc/08/57/91/583085791.db2.gz CVRWPUROAPTBKR-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000310048255 583085793 /nfs/dbraw/zinc/08/57/93/583085793.db2.gz CVRWPUROAPTBKR-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000854659973 583089122 /nfs/dbraw/zinc/08/91/22/583089122.db2.gz CMZYCQVLVSCHIZ-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)C[C@]2(CCOC2)O1 ZINC000857234717 583136182 /nfs/dbraw/zinc/13/61/82/583136182.db2.gz LXJUWTLHISPISB-PWSUYJOCSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)C[C@]2(CCOC2)O1 ZINC000857234717 583136184 /nfs/dbraw/zinc/13/61/84/583136184.db2.gz LXJUWTLHISPISB-PWSUYJOCSA-N 1 2 240.303 0.056 20 0 BCADLO CN(CCCCO)c1nc(N)[nH+]c(C2CC2)n1 ZINC000893426679 583141663 /nfs/dbraw/zinc/14/16/63/583141663.db2.gz CQSSUYVFLPQRIH-UHFFFAOYSA-N 1 2 237.307 0.540 20 0 BCADLO CN(CCCCO)c1nc(N)nc(C2CC2)[nH+]1 ZINC000893426679 583141666 /nfs/dbraw/zinc/14/16/66/583141666.db2.gz CQSSUYVFLPQRIH-UHFFFAOYSA-N 1 2 237.307 0.540 20 0 BCADLO c1[nH+]cn2ccnc(N3C[C@@H]4COC[C@@H]4C3)c12 ZINC000893680484 583197787 /nfs/dbraw/zinc/19/77/87/583197787.db2.gz UDJKTLFFEZDDBP-AOOOYVTPSA-N 1 2 230.271 0.812 20 0 BCADLO OC[C@]1(F)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893728447 583215511 /nfs/dbraw/zinc/21/55/11/583215511.db2.gz RGYDRGKUSAKFHN-NSHDSACASA-N 1 2 236.250 0.640 20 0 BCADLO CN(C)c1cc(NCc2cnn(C)n2)[nH+]cn1 ZINC000893847922 583232854 /nfs/dbraw/zinc/23/28/54/583232854.db2.gz IBODIYPAKARVOK-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO CN(C)c1cc(NCc2cnn(C)n2)nc[nH+]1 ZINC000893847922 583232858 /nfs/dbraw/zinc/23/28/58/583232858.db2.gz IBODIYPAKARVOK-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)c1cn[nH]c1 ZINC000893858487 583233891 /nfs/dbraw/zinc/23/38/91/583233891.db2.gz ZXJNSBVRNSNLQC-MRVPVSSYSA-N 1 2 248.290 0.704 20 0 BCADLO COCCOC[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000893865709 583235272 /nfs/dbraw/zinc/23/52/72/583235272.db2.gz IVUFQEKBPUORQK-UWVGGRQHSA-N 1 2 242.323 0.517 20 0 BCADLO CC[N@H+](CCO)Cc1ncc(C(=O)OC)s1 ZINC000893871206 583237841 /nfs/dbraw/zinc/23/78/41/583237841.db2.gz IDAVAXMAEICXTI-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO CC[N@@H+](CCO)Cc1ncc(C(=O)OC)s1 ZINC000893871206 583237843 /nfs/dbraw/zinc/23/78/43/583237843.db2.gz IDAVAXMAEICXTI-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1C ZINC000893871804 583237971 /nfs/dbraw/zinc/23/79/71/583237971.db2.gz QSINMSSPKZSIAZ-SECBINFHSA-N 1 2 222.292 0.334 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1C ZINC000893871804 583237974 /nfs/dbraw/zinc/23/79/74/583237974.db2.gz QSINMSSPKZSIAZ-SECBINFHSA-N 1 2 222.292 0.334 20 0 BCADLO C[C@H](O)c1cccc(NCc2cnnn2C)[nH+]1 ZINC000893877738 583240211 /nfs/dbraw/zinc/24/02/11/583240211.db2.gz JVNKPMPHBUSYLL-QMMMGPOBSA-N 1 2 233.275 0.876 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](CC(N)=O)C2)nc[nH+]1 ZINC000893883923 583241232 /nfs/dbraw/zinc/24/12/32/583241232.db2.gz ORYUGMPPGNOWQN-VIFPVBQESA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](CC(N)=O)C2)[nH+]cn1 ZINC000893883923 583241234 /nfs/dbraw/zinc/24/12/34/583241234.db2.gz ORYUGMPPGNOWQN-VIFPVBQESA-N 1 2 249.318 0.244 20 0 BCADLO CC(C)c1c[nH]c(CN2CCNC(=O)C2)[nH+]1 ZINC000893888239 583244095 /nfs/dbraw/zinc/24/40/95/583244095.db2.gz YABWTIOVVDFYNE-UHFFFAOYSA-N 1 2 222.292 0.465 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCO[C@H](C)C2)C1(F)F ZINC000893917473 583247292 /nfs/dbraw/zinc/24/72/92/583247292.db2.gz VWYLUDWLIXPIPD-HLTSFMKQSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCO[C@H](C)C2)C1(F)F ZINC000893917473 583247293 /nfs/dbraw/zinc/24/72/93/583247293.db2.gz VWYLUDWLIXPIPD-HLTSFMKQSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCOC[C@@H]2C)C1(F)F ZINC000893963020 583257676 /nfs/dbraw/zinc/25/76/76/583257676.db2.gz XCJKTTFLQUVAEW-YIZRAAEISA-N 1 2 249.257 0.761 20 0 BCADLO COC[C@H]([NH2+]C1CCC(C)(O)CC1)C(=O)OC ZINC000893953921 583261857 /nfs/dbraw/zinc/26/18/57/583261857.db2.gz AIOTYVNSLFMSQA-YZRBJQDESA-N 1 2 245.319 0.458 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(C)c1C1CC1 ZINC000893965348 583262826 /nfs/dbraw/zinc/26/28/26/583262826.db2.gz NZGPBCYJJFSFRX-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(C)c1C1CC1 ZINC000893965348 583262828 /nfs/dbraw/zinc/26/28/28/583262828.db2.gz NZGPBCYJJFSFRX-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000893974328 583265020 /nfs/dbraw/zinc/26/50/20/583265020.db2.gz UVZQBOAXTGWBQW-NKWVEPMBSA-N 1 2 227.264 0.980 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C(C)C)c[nH]1 ZINC000893996257 583267979 /nfs/dbraw/zinc/26/79/79/583267979.db2.gz XBKXKDSYZINFLI-UHFFFAOYSA-N 1 2 241.335 0.974 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C(C)C)c[nH]1 ZINC000893996257 583267981 /nfs/dbraw/zinc/26/79/81/583267981.db2.gz XBKXKDSYZINFLI-UHFFFAOYSA-N 1 2 241.335 0.974 20 0 BCADLO Cc1cc(N2CC(O)(CO)C2)nc(C2CCC2)[nH+]1 ZINC000894001885 583272458 /nfs/dbraw/zinc/27/24/58/583272458.db2.gz ZCQKQFUSLZQCNB-UHFFFAOYSA-N 1 2 249.314 0.596 20 0 BCADLO CC[C@@H](CO)N(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894016247 583276099 /nfs/dbraw/zinc/27/60/99/583276099.db2.gz PJQFSTCVZNJPMQ-QMMMGPOBSA-N 1 2 237.307 0.538 20 0 BCADLO CC[C@@H](CO)N(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894016247 583276100 /nfs/dbraw/zinc/27/61/00/583276100.db2.gz PJQFSTCVZNJPMQ-QMMMGPOBSA-N 1 2 237.307 0.538 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CC(=O)N1 ZINC000894070788 583296122 /nfs/dbraw/zinc/29/61/22/583296122.db2.gz GPWSLTTUVQTSIA-QMMMGPOBSA-N 1 2 231.259 0.054 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@H]2C)nc[nH+]1 ZINC000894105268 583306316 /nfs/dbraw/zinc/30/63/16/583306316.db2.gz NWBHUVIHDUYCIW-HTQZYQBOSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@H]2C)[nH+]cn1 ZINC000894105268 583306318 /nfs/dbraw/zinc/30/63/18/583306318.db2.gz NWBHUVIHDUYCIW-HTQZYQBOSA-N 1 2 208.265 0.478 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1nccn2c[nH+]cc12 ZINC000894104722 583306389 /nfs/dbraw/zinc/30/63/89/583306389.db2.gz IFNWHDPBEIGSTI-PSASIEDQSA-N 1 2 218.260 0.689 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1cc(N(C)C)[nH+]cn1 ZINC000894105937 583306837 /nfs/dbraw/zinc/30/68/37/583306837.db2.gz VBXSSUSRYXZKQG-RKDXNWHRSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1cc(N(C)C)nc[nH+]1 ZINC000894105937 583306839 /nfs/dbraw/zinc/30/68/39/583306839.db2.gz VBXSSUSRYXZKQG-RKDXNWHRSA-N 1 2 222.292 0.502 20 0 BCADLO CC(C)(C)c1nc(N[C@H]2C[C@@H](O)C2)nc(N)[nH+]1 ZINC000894119939 583310109 /nfs/dbraw/zinc/31/01/09/583310109.db2.gz RPIXTVWBFMOPNC-KNVOCYPGSA-N 1 2 237.307 0.687 20 0 BCADLO CC(C)(C)c1nc(N)nc(N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000894119939 583310114 /nfs/dbraw/zinc/31/01/14/583310114.db2.gz RPIXTVWBFMOPNC-KNVOCYPGSA-N 1 2 237.307 0.687 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726252400 583343651 /nfs/dbraw/zinc/34/36/51/583343651.db2.gz GPWJGWOGOLTOMQ-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726252400 583343654 /nfs/dbraw/zinc/34/36/54/583343654.db2.gz GPWJGWOGOLTOMQ-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO Cn1ncc2c1CCC[N@H+](CN1CCC1=O)C2 ZINC000857237648 588900962 /nfs/dbraw/zinc/90/09/62/588900962.db2.gz YPWJKUKUXJNFPL-UHFFFAOYSA-N 1 2 234.303 0.358 20 0 BCADLO Cn1ncc2c1CCC[N@@H+](CN1CCC1=O)C2 ZINC000857237648 588900964 /nfs/dbraw/zinc/90/09/64/588900964.db2.gz YPWJKUKUXJNFPL-UHFFFAOYSA-N 1 2 234.303 0.358 20 0 BCADLO CC(C)(CO)ONC(=O)CCc1[nH]cc[nH+]1 ZINC000857284389 588902861 /nfs/dbraw/zinc/90/28/61/588902861.db2.gz JIJHQXLKVHPPRY-UHFFFAOYSA-N 1 2 227.264 0.161 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894249959 583391645 /nfs/dbraw/zinc/39/16/45/583391645.db2.gz UIHSQGMFHXAYQS-SECBINFHSA-N 1 2 245.286 0.302 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccon2)C1(F)F ZINC000894323410 583422317 /nfs/dbraw/zinc/42/23/17/583422317.db2.gz GDKQROQMOUPJPD-YUMQZZPRSA-N 1 2 246.213 0.819 20 0 BCADLO C[C@H]1C[N@H+](CN2CCC2=O)C[C@@H](C2CC2)O1 ZINC000857234799 588898709 /nfs/dbraw/zinc/89/87/09/588898709.db2.gz MOUNBANAMSBREF-ONGXEEELSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCC2=O)C[C@@H](C2CC2)O1 ZINC000857234799 588898711 /nfs/dbraw/zinc/89/87/11/588898711.db2.gz MOUNBANAMSBREF-ONGXEEELSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)[C@H](C)[C@H](C)O1 ZINC000857235133 588898826 /nfs/dbraw/zinc/89/88/26/588898826.db2.gz OULAEYRNCBAJFJ-BBBLOLIVSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)[C@H](C)[C@H](C)O1 ZINC000857235133 588898827 /nfs/dbraw/zinc/89/88/27/588898827.db2.gz OULAEYRNCBAJFJ-BBBLOLIVSA-N 1 2 212.293 0.674 20 0 BCADLO O=C1CCN1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000857235059 588899207 /nfs/dbraw/zinc/89/92/07/588899207.db2.gz YFGWAUPDIIYCPC-UHFFFAOYSA-N 1 2 247.289 0.449 20 0 BCADLO O=C1CCN1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000857235059 588899208 /nfs/dbraw/zinc/89/92/08/588899208.db2.gz YFGWAUPDIIYCPC-UHFFFAOYSA-N 1 2 247.289 0.449 20 0 BCADLO Cn1cccc1C[N@H+](C)CN1CCC1=O ZINC000857235420 588899708 /nfs/dbraw/zinc/89/97/08/588899708.db2.gz SIWGDMBLSODQLI-UHFFFAOYSA-N 1 2 207.277 0.647 20 0 BCADLO Cn1cccc1C[N@@H+](C)CN1CCC1=O ZINC000857235420 588899709 /nfs/dbraw/zinc/89/97/09/588899709.db2.gz SIWGDMBLSODQLI-UHFFFAOYSA-N 1 2 207.277 0.647 20 0 BCADLO CN(C)c1cc(N[C@@H](CO)CCF)[nH+]cn1 ZINC000894402954 583450134 /nfs/dbraw/zinc/45/01/34/583450134.db2.gz OFWCOEQCGIBTNM-MRVPVSSYSA-N 1 2 228.271 0.675 20 0 BCADLO CN(C)c1cc(N[C@@H](CO)CCF)nc[nH+]1 ZINC000894402954 583450136 /nfs/dbraw/zinc/45/01/36/583450136.db2.gz OFWCOEQCGIBTNM-MRVPVSSYSA-N 1 2 228.271 0.675 20 0 BCADLO CC(C)[C@H](CO)ONC(=O)CCc1[nH]cc[nH+]1 ZINC000857285644 588904263 /nfs/dbraw/zinc/90/42/63/588904263.db2.gz HXZHKRARSZKAKJ-VIFPVBQESA-N 1 2 241.291 0.407 20 0 BCADLO COC(=O)c1cnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000894450495 583463168 /nfs/dbraw/zinc/46/31/68/583463168.db2.gz JLHPRARZWMWBTK-ZETCQYMHSA-N 1 2 244.316 0.742 20 0 BCADLO COC(=O)c1cnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000894450495 583463170 /nfs/dbraw/zinc/46/31/70/583463170.db2.gz JLHPRARZWMWBTK-ZETCQYMHSA-N 1 2 244.316 0.742 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000894492810 583473207 /nfs/dbraw/zinc/47/32/07/583473207.db2.gz QQKDSTLJCTVUHP-SECBINFHSA-N 1 2 238.287 0.999 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000894492810 583473209 /nfs/dbraw/zinc/47/32/09/583473209.db2.gz QQKDSTLJCTVUHP-SECBINFHSA-N 1 2 238.287 0.999 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000894538459 583479695 /nfs/dbraw/zinc/47/96/95/583479695.db2.gz QOVFRGDVXUBSHG-WCBMZHEXSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000894538459 583479698 /nfs/dbraw/zinc/47/96/98/583479698.db2.gz QOVFRGDVXUBSHG-WCBMZHEXSA-N 1 2 226.276 0.565 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000857312578 588905477 /nfs/dbraw/zinc/90/54/77/588905477.db2.gz UIFSGXHGCQOLTH-LBPRGKRZSA-N 1 2 234.299 0.811 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C ZINC000894539812 583481298 /nfs/dbraw/zinc/48/12/98/583481298.db2.gz WSDQIDYYRGEODC-XVKPBYJWSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C ZINC000894539812 583481300 /nfs/dbraw/zinc/48/13/00/583481300.db2.gz WSDQIDYYRGEODC-XVKPBYJWSA-N 1 2 209.293 0.982 20 0 BCADLO CC[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894552035 583483687 /nfs/dbraw/zinc/48/36/87/583483687.db2.gz YHKCTEINSQIIGN-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CC[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894552035 583483688 /nfs/dbraw/zinc/48/36/88/583483688.db2.gz YHKCTEINSQIIGN-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CN1CCN(c2nccn3c[nH+]cc23)CCC1=O ZINC000894576432 583487483 /nfs/dbraw/zinc/48/74/83/583487483.db2.gz AOPVEUGSIQYBEM-UHFFFAOYSA-N 1 2 245.286 0.398 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1c(F)ccc(O)c1F ZINC000894621221 583493552 /nfs/dbraw/zinc/49/35/52/583493552.db2.gz TXGIMAOGEACZNZ-SSDOTTSWSA-N 1 2 247.241 0.767 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1c(F)ccc(O)c1F ZINC000894621222 583493612 /nfs/dbraw/zinc/49/36/12/583493612.db2.gz TXGIMAOGEACZNZ-ZETCQYMHSA-N 1 2 247.241 0.767 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1C ZINC000894638696 583498393 /nfs/dbraw/zinc/49/83/93/583498393.db2.gz SSEKZHLPLOVUOB-LBPRGKRZSA-N 1 2 236.319 0.724 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1C ZINC000894638696 583498394 /nfs/dbraw/zinc/49/83/94/583498394.db2.gz SSEKZHLPLOVUOB-LBPRGKRZSA-N 1 2 236.319 0.724 20 0 BCADLO CCn1cc(C[NH+]2CC3(C2)CCOC3)nn1 ZINC000894649949 583500264 /nfs/dbraw/zinc/50/02/64/583500264.db2.gz VIJWHGOPNUDKCF-UHFFFAOYSA-N 1 2 222.292 0.520 20 0 BCADLO CC[N@H+](Cc1ocnc1C)[C@H]1CCNC1=O ZINC000894662509 583501333 /nfs/dbraw/zinc/50/13/33/583501333.db2.gz KYAIETIRIWTGQP-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1ocnc1C)[C@H]1CCNC1=O ZINC000894662509 583501336 /nfs/dbraw/zinc/50/13/36/583501336.db2.gz KYAIETIRIWTGQP-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@H+](Cc1[nH]nc(C)c1C)[C@H]1CCNC1=O ZINC000894662216 583501408 /nfs/dbraw/zinc/50/14/08/583501408.db2.gz IRIGACARDUAAAM-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CC[N@@H+](Cc1[nH]nc(C)c1C)[C@H]1CCNC1=O ZINC000894662216 583501410 /nfs/dbraw/zinc/50/14/10/583501410.db2.gz IRIGACARDUAAAM-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CNc1cc(N[C@@H]2CCN(C(C)=O)C2)nc[nH+]1 ZINC000894677538 583504571 /nfs/dbraw/zinc/50/45/71/583504571.db2.gz VXGRBRDPVRYYJI-SECBINFHSA-N 1 2 235.291 0.551 20 0 BCADLO CNc1cc(N[C@@H]2CCN(C(C)=O)C2)[nH+]cn1 ZINC000894677538 583504572 /nfs/dbraw/zinc/50/45/72/583504572.db2.gz VXGRBRDPVRYYJI-SECBINFHSA-N 1 2 235.291 0.551 20 0 BCADLO CCn1nncc1CNc1cc(NC)[nH+]cn1 ZINC000894699001 583510155 /nfs/dbraw/zinc/51/01/55/583510155.db2.gz DOVJZDTXODKIRZ-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO CCn1nncc1CNc1cc(NC)nc[nH+]1 ZINC000894699001 583510158 /nfs/dbraw/zinc/51/01/58/583510158.db2.gz DOVJZDTXODKIRZ-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC(F)CC2)C1=O ZINC000880240290 583515670 /nfs/dbraw/zinc/51/56/70/583515670.db2.gz SYANJZIWBRSSEX-SECBINFHSA-N 1 2 216.256 0.583 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC(F)CC2)C1=O ZINC000880240291 583515694 /nfs/dbraw/zinc/51/56/94/583515694.db2.gz SYANJZIWBRSSEX-VIFPVBQESA-N 1 2 216.256 0.583 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@H]1CCCC13CC3)CC2 ZINC000894810642 583523431 /nfs/dbraw/zinc/52/34/31/583523431.db2.gz VEWBMQBBTWLPMU-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@H]1CCCC13CC3)CC2 ZINC000894810642 583523433 /nfs/dbraw/zinc/52/34/33/583523433.db2.gz VEWBMQBBTWLPMU-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CC1(O)C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000894831179 583528379 /nfs/dbraw/zinc/52/83/79/583528379.db2.gz RVJVHYSJRLBRKB-QMMMGPOBSA-N 1 2 201.266 0.205 20 0 BCADLO COC1C[NH+](Cc2c3c(nn2C)CCC3)C1 ZINC000894820529 583525202 /nfs/dbraw/zinc/52/52/02/583525202.db2.gz WJDCBOGIROSBMV-UHFFFAOYSA-N 1 2 221.304 0.739 20 0 BCADLO CN(C)c1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc[nH+]1 ZINC000894826504 583526501 /nfs/dbraw/zinc/52/65/01/583526501.db2.gz XYPPJTMPUPNGFI-OPQQBVKSSA-N 1 2 248.330 0.892 20 0 BCADLO CN(C)c1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]cn1 ZINC000894826504 583526502 /nfs/dbraw/zinc/52/65/02/583526502.db2.gz XYPPJTMPUPNGFI-OPQQBVKSSA-N 1 2 248.330 0.892 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)[nH+]cn1 ZINC000894825232 583526698 /nfs/dbraw/zinc/52/66/98/583526698.db2.gz JGJODYQAOSLWGJ-RKDXNWHRSA-N 1 2 248.286 0.152 20 0 BCADLO CC1(O)C[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894830580 583527619 /nfs/dbraw/zinc/52/76/19/583527619.db2.gz NDOJLOVJUPPASD-NXEZZACHSA-N 1 2 245.294 0.687 20 0 BCADLO COC(=O)c1ccc(C[N@@H+]2CC=C[C@H]2CO)o1 ZINC000880485098 583544208 /nfs/dbraw/zinc/54/42/08/583544208.db2.gz WROFRDFWENKUDQ-VIFPVBQESA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1ccc(C[N@H+]2CC=C[C@H]2CO)o1 ZINC000880485098 583544210 /nfs/dbraw/zinc/54/42/10/583544210.db2.gz WROFRDFWENKUDQ-VIFPVBQESA-N 1 2 237.255 0.799 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1COCO1)C(=O)OC(C)(C)C ZINC000894889462 583547463 /nfs/dbraw/zinc/54/74/63/583547463.db2.gz PBBKQHJFLPRQBH-DTWKUNHWSA-N 1 2 231.292 0.679 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)CCO ZINC000894896588 583550333 /nfs/dbraw/zinc/55/03/33/583550333.db2.gz FUTRVNNSNOINEK-SCZZXKLOSA-N 1 2 215.293 0.689 20 0 BCADLO COc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000894943491 583557363 /nfs/dbraw/zinc/55/73/63/583557363.db2.gz KYKHIWVEQMWBSO-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000894943491 583557364 /nfs/dbraw/zinc/55/73/64/583557364.db2.gz KYKHIWVEQMWBSO-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@@H]1CCO1 ZINC000894972264 583561079 /nfs/dbraw/zinc/56/10/79/583561079.db2.gz OUGRUBCJQIZPNU-KOLCDFICSA-N 1 2 231.292 0.069 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000894972674 583561442 /nfs/dbraw/zinc/56/14/42/583561442.db2.gz DJBAYHBAMLSQEY-LLVKDONJSA-N 1 2 248.330 0.928 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000894972674 583561444 /nfs/dbraw/zinc/56/14/44/583561444.db2.gz DJBAYHBAMLSQEY-LLVKDONJSA-N 1 2 248.330 0.928 20 0 BCADLO CN(C)c1cc(N[C@H]2CCC[C@@H]2O)[nH+]cn1 ZINC000894984710 583564315 /nfs/dbraw/zinc/56/43/15/583564315.db2.gz FNUCUCIBEYEXKV-IUCAKERBSA-N 1 2 222.292 0.868 20 0 BCADLO CN(C)c1cc(N[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000894984710 583564317 /nfs/dbraw/zinc/56/43/17/583564317.db2.gz FNUCUCIBEYEXKV-IUCAKERBSA-N 1 2 222.292 0.868 20 0 BCADLO CCc1cc(NC[C@H](O)[C@@H](C)O)nc(CC)[nH+]1 ZINC000894988356 583565107 /nfs/dbraw/zinc/56/51/07/583565107.db2.gz DKNMWGILSCTRBD-SCZZXKLOSA-N 1 2 239.319 0.755 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000895046533 583572345 /nfs/dbraw/zinc/57/23/45/583572345.db2.gz JTDJJHPGUADJNP-UHFFFAOYSA-N 1 2 246.698 0.183 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1[nH+]ccn1C1CC1 ZINC000895126800 583598215 /nfs/dbraw/zinc/59/82/15/583598215.db2.gz ZHKDDXUZMNMDGW-VIFPVBQESA-N 1 2 234.303 0.838 20 0 BCADLO C[C@@H]([NH2+]Cc1ccns1)C1N=NC(=O)N1C ZINC000895172816 583613152 /nfs/dbraw/zinc/61/31/52/583613152.db2.gz SFVZEGLTUFGUHV-ZCFIWIBFSA-N 1 2 239.304 0.828 20 0 BCADLO CCOC1CC([NH2+][C@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895177359 583616387 /nfs/dbraw/zinc/61/63/87/583616387.db2.gz RDJMXPDUJSIPJL-AFPNSQJFSA-N 1 2 240.307 0.739 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000895251127 583633043 /nfs/dbraw/zinc/63/30/43/583633043.db2.gz HBAUDZAHNXOFEY-QMMMGPOBSA-N 1 2 240.307 0.466 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2COCC2(C)C)[nH]1 ZINC000895251127 583633044 /nfs/dbraw/zinc/63/30/44/583633044.db2.gz HBAUDZAHNXOFEY-QMMMGPOBSA-N 1 2 240.307 0.466 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000727399856 583640201 /nfs/dbraw/zinc/64/02/01/583640201.db2.gz LKBJMPHOMCUVSF-SECBINFHSA-N 1 2 249.270 0.950 20 0 BCADLO CCn1nc(C)c(C[NH2+]C[C@H]2CC(C)=NO2)n1 ZINC000895305234 583643066 /nfs/dbraw/zinc/64/30/66/583643066.db2.gz PYTWFEZJUZHTMK-SNVBAGLBSA-N 1 2 237.307 0.861 20 0 BCADLO COc1nccnc1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895303720 583645620 /nfs/dbraw/zinc/64/56/20/583645620.db2.gz BYXPUYQGQYQVKI-VIFPVBQESA-N 1 2 236.275 0.740 20 0 BCADLO CC1=NO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC000895308638 583646331 /nfs/dbraw/zinc/64/63/31/583646331.db2.gz NZEHYEBMUGVJML-MRVPVSSYSA-N 1 2 212.278 0.793 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1nccs1 ZINC000895315352 583648080 /nfs/dbraw/zinc/64/80/80/583648080.db2.gz FOOVUXRUBJBFIZ-MRVPVSSYSA-N 1 2 225.317 0.757 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)no1 ZINC000895321022 583649450 /nfs/dbraw/zinc/64/94/50/583649450.db2.gz JQKAUOFXHSSQJY-SECBINFHSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)nn1C ZINC000895319538 583649634 /nfs/dbraw/zinc/64/96/34/583649634.db2.gz CZQRCKYFVSBSKR-SNVBAGLBSA-N 1 2 236.319 0.343 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1[nH]nc(C)c1C ZINC000895350696 583656602 /nfs/dbraw/zinc/65/66/02/583656602.db2.gz FZQHDJOBBYZXKH-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1[nH]nc(C)c1C ZINC000895350696 583656603 /nfs/dbraw/zinc/65/66/03/583656603.db2.gz FZQHDJOBBYZXKH-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO CCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895368528 583660873 /nfs/dbraw/zinc/66/08/73/583660873.db2.gz RGZQYPFUFFDBRF-KCJUWKMLSA-N 1 2 238.287 0.263 20 0 BCADLO CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895368528 583660875 /nfs/dbraw/zinc/66/08/75/583660875.db2.gz RGZQYPFUFFDBRF-KCJUWKMLSA-N 1 2 238.287 0.263 20 0 BCADLO CSC1(C[N@H+](C)C2CS(=O)(=O)C2)CC1 ZINC000895396863 583664869 /nfs/dbraw/zinc/66/48/69/583664869.db2.gz CSQCGFLOUDAGRE-UHFFFAOYSA-N 1 2 235.374 0.611 20 0 BCADLO CSC1(C[N@@H+](C)C2CS(=O)(=O)C2)CC1 ZINC000895396863 583664870 /nfs/dbraw/zinc/66/48/70/583664870.db2.gz CSQCGFLOUDAGRE-UHFFFAOYSA-N 1 2 235.374 0.611 20 0 BCADLO C[N@H+](CC1CCCC1)C1CS(=O)(=O)C1 ZINC000895398724 583665302 /nfs/dbraw/zinc/66/53/02/583665302.db2.gz YNKSOVBKUPYXNL-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[N@@H+](CC1CCCC1)C1CS(=O)(=O)C1 ZINC000895398724 583665305 /nfs/dbraw/zinc/66/53/05/583665305.db2.gz YNKSOVBKUPYXNL-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[N@H+](CC1CCOCC1)C1CS(=O)(=O)C1 ZINC000895398509 583665590 /nfs/dbraw/zinc/66/55/90/583665590.db2.gz SMGIQMGAXHIPAQ-UHFFFAOYSA-N 1 2 233.333 0.142 20 0 BCADLO C[N@@H+](CC1CCOCC1)C1CS(=O)(=O)C1 ZINC000895398509 583665593 /nfs/dbraw/zinc/66/55/93/583665593.db2.gz SMGIQMGAXHIPAQ-UHFFFAOYSA-N 1 2 233.333 0.142 20 0 BCADLO CC[C@@](C)(C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398986 583666063 /nfs/dbraw/zinc/66/60/63/583666063.db2.gz HCJXUVWUDRCLSJ-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CC[C@@](C)(C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398986 583666065 /nfs/dbraw/zinc/66/60/65/583666065.db2.gz HCJXUVWUDRCLSJ-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CC(=O)c1cncc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000895427787 583668589 /nfs/dbraw/zinc/66/85/89/583668589.db2.gz KKMNUPPNIMPHMZ-UHFFFAOYSA-N 1 2 247.298 0.672 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884818 588920399 /nfs/dbraw/zinc/92/03/99/588920399.db2.gz GCJFDPPWFBHBPO-WCBMZHEXSA-N 1 2 234.259 0.089 20 0 BCADLO CCO/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885283 588920527 /nfs/dbraw/zinc/92/05/27/588920527.db2.gz NJYLQFJLJZHTGS-CDAZIORVSA-N 1 2 221.260 0.474 20 0 BCADLO CC(F)(F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884787 588920747 /nfs/dbraw/zinc/92/07/47/588920747.db2.gz FBLAAGMZDFEJKW-ZCFIWIBFSA-N 1 2 215.203 0.579 20 0 BCADLO O=C(CSC(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884397 588920896 /nfs/dbraw/zinc/92/08/96/588920896.db2.gz AQRZUJFCRHREKQ-ZCFIWIBFSA-N 1 2 247.270 0.880 20 0 BCADLO C/C=C(/C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890554 588920981 /nfs/dbraw/zinc/92/09/81/588920981.db2.gz XQHZFDRKUXKJTL-CHDHTGKKSA-N 1 2 205.261 0.890 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890669 588921013 /nfs/dbraw/zinc/92/10/13/588921013.db2.gz YGSJSBKKEVMLPT-QMMMGPOBSA-N 1 2 235.287 0.539 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000895474271 583679834 /nfs/dbraw/zinc/67/98/34/583679834.db2.gz UHTFOJGZYBKIOP-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000895474271 583679835 /nfs/dbraw/zinc/67/98/35/583679835.db2.gz UHTFOJGZYBKIOP-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO CCCONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000895513219 583682458 /nfs/dbraw/zinc/68/24/58/583682458.db2.gz HJUPIMKUEFZVKA-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO CCCONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000895513219 583682460 /nfs/dbraw/zinc/68/24/60/583682460.db2.gz HJUPIMKUEFZVKA-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO O=Cc1c[nH]c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000857885994 588921236 /nfs/dbraw/zinc/92/12/36/588921236.db2.gz RMZSLIYQIPMXGF-SECBINFHSA-N 1 2 244.254 0.378 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=COCC1 ZINC000857890167 588921303 /nfs/dbraw/zinc/92/13/03/588921303.db2.gz RDUXBKIVMFOSHK-SECBINFHSA-N 1 2 219.244 0.228 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000857886152 588921321 /nfs/dbraw/zinc/92/13/21/588921321.db2.gz UROLOHLFLHOHCC-GXFFZTMASA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=CCCCO1 ZINC000857889183 588921366 /nfs/dbraw/zinc/92/13/66/588921366.db2.gz ILXHCNVMGZEXRJ-VIFPVBQESA-N 1 2 233.271 0.618 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000857886150 588921370 /nfs/dbraw/zinc/92/13/70/588921370.db2.gz UROLOHLFLHOHCC-GWCFXTLKSA-N 1 2 249.314 0.475 20 0 BCADLO CCc1onc(C)c1C[NH2+]Cc1cnn[nH]1 ZINC000895531943 583685814 /nfs/dbraw/zinc/68/58/14/583685814.db2.gz NEDKRXUGVAGDHD-UHFFFAOYSA-N 1 2 221.264 0.953 20 0 BCADLO Cn1ncnc1C1(O)C[NH+](CC2(C)CC2)C1 ZINC000895618203 583697215 /nfs/dbraw/zinc/69/72/15/583697215.db2.gz DANQUMAHQDNOKF-UHFFFAOYSA-N 1 2 222.292 0.118 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000895654837 583701290 /nfs/dbraw/zinc/70/12/90/583701290.db2.gz UEFIOTBOLWEFJA-CABZTGNLSA-N 1 2 234.303 0.570 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000895654837 583701292 /nfs/dbraw/zinc/70/12/92/583701292.db2.gz UEFIOTBOLWEFJA-CABZTGNLSA-N 1 2 234.303 0.570 20 0 BCADLO COc1nccnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895655639 583701885 /nfs/dbraw/zinc/70/18/85/583701885.db2.gz WHIPTFTZONXXNM-KWQFWETISA-N 1 2 221.260 0.052 20 0 BCADLO COc1nccnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895655639 583701886 /nfs/dbraw/zinc/70/18/86/583701886.db2.gz WHIPTFTZONXXNM-KWQFWETISA-N 1 2 221.260 0.052 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000895651648 583703301 /nfs/dbraw/zinc/70/33/01/583703301.db2.gz AUANALZVKCMCNJ-HZGVNTEJSA-N 1 2 247.220 0.995 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000895651648 583703303 /nfs/dbraw/zinc/70/33/03/583703303.db2.gz AUANALZVKCMCNJ-HZGVNTEJSA-N 1 2 247.220 0.995 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@@H](C)O ZINC000895743845 583715889 /nfs/dbraw/zinc/71/58/89/583715889.db2.gz NQTFHLSZVWIXLV-BBBLOLIVSA-N 1 2 229.276 0.191 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCSC1)[C@@H](C)O ZINC000895743812 583715986 /nfs/dbraw/zinc/71/59/86/583715986.db2.gz MRBXRMTVLILBTQ-HLTSFMKQSA-N 1 2 233.333 0.252 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CC=C(C)CC1)[C@@H](C)O ZINC000895743889 583716066 /nfs/dbraw/zinc/71/60/66/583716066.db2.gz OTKJQADSVJWZFQ-VWYCJHECSA-N 1 2 227.304 0.997 20 0 BCADLO CC[C@@H](C)[C@H](C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895743720 583716234 /nfs/dbraw/zinc/71/62/34/583716234.db2.gz LUNSVQAEVSPPMC-ZNSHCXBVSA-N 1 2 247.335 0.560 20 0 BCADLO OCc1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895756331 583720474 /nfs/dbraw/zinc/72/04/74/583720474.db2.gz IIKPSFVUYUSYRH-UHFFFAOYSA-N 1 2 248.286 0.769 20 0 BCADLO OCc1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895756331 583720476 /nfs/dbraw/zinc/72/04/76/583720476.db2.gz IIKPSFVUYUSYRH-UHFFFAOYSA-N 1 2 248.286 0.769 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(F)CC1 ZINC000857939769 588924249 /nfs/dbraw/zinc/92/42/49/588924249.db2.gz QLLJIMMDYOLLDU-QMMMGPOBSA-N 1 2 223.251 0.816 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ncccn1 ZINC000857945049 588924779 /nfs/dbraw/zinc/92/47/79/588924779.db2.gz NOISURRRPPXJOP-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000895808699 583729278 /nfs/dbraw/zinc/72/92/78/583729278.db2.gz RWQSOYHGMALLOG-NAKRPEOUSA-N 1 2 237.299 0.849 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808584 583729646 /nfs/dbraw/zinc/72/96/46/583729646.db2.gz KTDIXTDNBHPYAL-AEJSXWLSSA-N 1 2 213.277 0.849 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857947510 588924912 /nfs/dbraw/zinc/92/49/12/588924912.db2.gz SVXFFIJXILEHKC-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895809399 583730542 /nfs/dbraw/zinc/73/05/42/583730542.db2.gz UPTHIVHBJBZKJD-FXQIFTODSA-N 1 2 201.291 0.786 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)Nc1nnc(C)o1 ZINC000895800552 583730784 /nfs/dbraw/zinc/73/07/84/583730784.db2.gz ADHVKEWWMDEVEP-JTQLQIEISA-N 1 2 240.307 0.901 20 0 BCADLO CC[C@@](C)(C[NH2+][C@H]1CCOC1=O)OC ZINC000895808355 583732709 /nfs/dbraw/zinc/73/27/09/583732709.db2.gz GMKOHQLMJAQOFK-WPRPVWTQSA-N 1 2 201.266 0.707 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857947492 588925124 /nfs/dbraw/zinc/92/51/24/588925124.db2.gz SNTBBZNWSWYAID-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C(F)F ZINC000857963569 588925738 /nfs/dbraw/zinc/92/57/38/588925738.db2.gz WKMDZTJHQCXVIT-ZCFIWIBFSA-N 1 2 215.203 0.579 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cnsn1 ZINC000857985717 588925997 /nfs/dbraw/zinc/92/59/97/588925997.db2.gz MBOOHVUOVREXFF-ZCFIWIBFSA-N 1 2 235.272 0.609 20 0 BCADLO Cc1nc(N(C)[C@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000895953877 583752075 /nfs/dbraw/zinc/75/20/75/583752075.db2.gz RTKWDUDLAGIFGY-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO O=Cc1c[nH]c(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857977955 588926586 /nfs/dbraw/zinc/92/65/86/588926586.db2.gz JUXAFCUQYKPQRZ-SECBINFHSA-N 1 2 244.254 0.899 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H](O)C1CC1 ZINC000857978023 588926707 /nfs/dbraw/zinc/92/67/07/588926707.db2.gz AUTAGMWARZZONE-SCZZXKLOSA-N 1 2 221.260 0.215 20 0 BCADLO CC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[C@H](C)O ZINC000857978234 588926745 /nfs/dbraw/zinc/92/67/45/588926745.db2.gz CUXAOCZFNMLPNZ-LPEHRKFASA-N 1 2 237.303 0.851 20 0 BCADLO CC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[C@H](C)O ZINC000857978232 588926769 /nfs/dbraw/zinc/92/67/69/588926769.db2.gz CUXAOCZFNMLPNZ-GUBZILKMSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857979179 588927310 /nfs/dbraw/zinc/92/73/10/588927310.db2.gz NVZVDDAMCZQFCB-JOYOIKCWSA-N 1 2 235.287 0.605 20 0 BCADLO C[C@@](O)(CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857980946 588927403 /nfs/dbraw/zinc/92/74/03/588927403.db2.gz TUDQVKPORRTJRK-GXFFZTMASA-N 1 2 249.314 0.995 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978987 588927636 /nfs/dbraw/zinc/92/76/36/588927636.db2.gz RSPXPCKFZLXMBH-WCBMZHEXSA-N 1 2 234.259 0.609 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@]12CCOC2 ZINC000857981554 588927934 /nfs/dbraw/zinc/92/79/34/588927934.db2.gz GVZJFLRLZZCVDQ-GIPNMCIBSA-N 1 2 247.298 0.871 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)n1cccn1 ZINC000857985028 588928385 /nfs/dbraw/zinc/92/83/85/588928385.db2.gz GUBSXUNNQFYOPD-VHSXEESVSA-N 1 2 245.286 0.902 20 0 BCADLO O=Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857983717 588928635 /nfs/dbraw/zinc/92/86/35/588928635.db2.gz CNHYHTVRJRHNAA-SECBINFHSA-N 1 2 244.254 0.899 20 0 BCADLO COCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985681 588929054 /nfs/dbraw/zinc/92/90/54/588929054.db2.gz LIXAETJGESTXNA-VIFPVBQESA-N 1 2 223.276 0.871 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987534 588929116 /nfs/dbraw/zinc/92/91/16/588929116.db2.gz VDNCDVPUWWHJHH-CABZTGNLSA-N 1 2 237.303 0.995 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857985732 588929252 /nfs/dbraw/zinc/92/92/52/588929252.db2.gz MGNVLPKCYMHFED-JTQLQIEISA-N 1 2 235.287 0.871 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987175 588929355 /nfs/dbraw/zinc/92/93/55/588929355.db2.gz VOUVUHSOBVNOTG-DTWKUNHWSA-N 1 2 223.276 0.869 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985543 588929358 /nfs/dbraw/zinc/92/93/58/588929358.db2.gz IEPHYDPGWWYCPD-SECBINFHSA-N 1 2 231.259 0.789 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857986983 588929521 /nfs/dbraw/zinc/92/95/21/588929521.db2.gz QMOZZVNABYKESF-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO CCc1cc(C(=O)NCCc2[nH]cc[nH+]2)no1 ZINC000896286247 583789307 /nfs/dbraw/zinc/78/93/07/583789307.db2.gz JFFTXEUEDYDOHW-UHFFFAOYSA-N 1 2 234.259 0.933 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(=O)[nH]c1 ZINC000857989739 588929700 /nfs/dbraw/zinc/92/97/00/588929700.db2.gz JZUIVVXXFAYPFH-VIFPVBQESA-N 1 2 244.254 0.859 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000335916768 583794223 /nfs/dbraw/zinc/79/42/23/583794223.db2.gz YUTNDIMCAOAKGE-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000335916768 583794224 /nfs/dbraw/zinc/79/42/24/583794224.db2.gz YUTNDIMCAOAKGE-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000896358397 583796322 /nfs/dbraw/zinc/79/63/22/583796322.db2.gz UWBZOQUTKCVQAP-ONGXEEELSA-N 1 2 235.287 0.691 20 0 BCADLO OCc1cc[nH+]c(NCCO[C@@H]2CCOC2)c1 ZINC000896475011 583805365 /nfs/dbraw/zinc/80/53/65/583805365.db2.gz ZBMZHOFRRZBRTK-LLVKDONJSA-N 1 2 238.287 0.791 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[nH]1 ZINC000896531050 583808238 /nfs/dbraw/zinc/80/82/38/583808238.db2.gz WLQSQXJHFZBGCK-QMMMGPOBSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[nH]1 ZINC000896531050 583808239 /nfs/dbraw/zinc/80/82/39/583808239.db2.gz WLQSQXJHFZBGCK-QMMMGPOBSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n[nH]1 ZINC000896531050 583808241 /nfs/dbraw/zinc/80/82/41/583808241.db2.gz WLQSQXJHFZBGCK-QMMMGPOBSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n[nH]1 ZINC000896531050 583808242 /nfs/dbraw/zinc/80/82/42/583808242.db2.gz WLQSQXJHFZBGCK-QMMMGPOBSA-N 1 2 237.307 0.924 20 0 BCADLO CC[N@@H+]1CCO[C@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896548986 583810091 /nfs/dbraw/zinc/81/00/91/583810091.db2.gz PLRZBUAVPWGZBD-VIFPVBQESA-N 1 2 249.274 0.853 20 0 BCADLO CC[N@H+]1CCO[C@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896548986 583810092 /nfs/dbraw/zinc/81/00/92/583810092.db2.gz PLRZBUAVPWGZBD-VIFPVBQESA-N 1 2 249.274 0.853 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896581207 583814747 /nfs/dbraw/zinc/81/47/47/583814747.db2.gz QENCJBMPZWUPIW-MWLCHTKSSA-N 1 2 225.336 0.147 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896581207 583814749 /nfs/dbraw/zinc/81/47/49/583814749.db2.gz QENCJBMPZWUPIW-MWLCHTKSSA-N 1 2 225.336 0.147 20 0 BCADLO Cn1nnc2c1C[C@H](Nc1cc[nH+]cc1F)CC2 ZINC000896674776 583822540 /nfs/dbraw/zinc/82/25/40/583822540.db2.gz RCJIBECZTZPXRM-MRVPVSSYSA-N 1 2 247.277 0.741 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2C[C@H](CO)C2)c1Cl ZINC000896691534 583823327 /nfs/dbraw/zinc/82/33/27/583823327.db2.gz YOCFECBUFCCOGK-IZLXSQMJSA-N 1 2 228.683 0.895 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2C[C@H](CO)C2)c1Cl ZINC000896691534 583823330 /nfs/dbraw/zinc/82/33/30/583823330.db2.gz YOCFECBUFCCOGK-IZLXSQMJSA-N 1 2 228.683 0.895 20 0 BCADLO CC[N@H+](Cc1nc(Cn2ccnn2)no1)C1CC1 ZINC000896694646 583824520 /nfs/dbraw/zinc/82/45/20/583824520.db2.gz OPAYXHLTECCFAV-UHFFFAOYSA-N 1 2 248.290 0.694 20 0 BCADLO CC[N@@H+](Cc1nc(Cn2ccnn2)no1)C1CC1 ZINC000896694646 583824521 /nfs/dbraw/zinc/82/45/21/583824521.db2.gz OPAYXHLTECCFAV-UHFFFAOYSA-N 1 2 248.290 0.694 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](CO)C2)[nH+]cn1 ZINC000896695048 583824598 /nfs/dbraw/zinc/82/45/98/583824598.db2.gz LQKVGTLIPUMCJD-KYZUINATSA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](CO)C2)nc[nH+]1 ZINC000896695048 583824599 /nfs/dbraw/zinc/82/45/99/583824599.db2.gz LQKVGTLIPUMCJD-KYZUINATSA-N 1 2 222.292 0.725 20 0 BCADLO CONC(=O)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000896927681 583859701 /nfs/dbraw/zinc/85/97/01/583859701.db2.gz UEOXBNCZURTAMF-UHFFFAOYSA-N 1 2 230.308 0.600 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cccnn2)[nH+]c1C ZINC000896906439 583851321 /nfs/dbraw/zinc/85/13/21/583851321.db2.gz STKUXKSCSFQFDP-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728229841 583851816 /nfs/dbraw/zinc/85/18/16/583851816.db2.gz SQMAUAFBNKKDIC-UHFFFAOYSA-N 1 2 245.392 0.581 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728229841 583851818 /nfs/dbraw/zinc/85/18/18/583851818.db2.gz SQMAUAFBNKKDIC-UHFFFAOYSA-N 1 2 245.392 0.581 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cn(C)nn2)[nH+]c1C ZINC000896909945 583852506 /nfs/dbraw/zinc/85/25/06/583852506.db2.gz DYUBGIXGUFJSJL-UHFFFAOYSA-N 1 2 234.263 0.085 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ccnnc2)[nH+]c1C ZINC000896916639 583854955 /nfs/dbraw/zinc/85/49/55/583854955.db2.gz GBKWANRSQYOORL-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920822 583856434 /nfs/dbraw/zinc/85/64/34/583856434.db2.gz SREASEXJROKKNY-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO CONC(=O)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000896923729 583858495 /nfs/dbraw/zinc/85/84/95/583858495.db2.gz HARHKJNXZCJEEG-UHFFFAOYSA-N 1 2 242.319 0.601 20 0 BCADLO Cc1[nH]c(CNC(=O)Cn2cccn2)[nH+]c1C ZINC000896926923 583858886 /nfs/dbraw/zinc/85/88/86/583858886.db2.gz CRBPBKWTAOURBJ-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000896928244 583859385 /nfs/dbraw/zinc/85/93/85/583859385.db2.gz YJWNLNNWAHUGHB-BDAKNGLRSA-N 1 2 232.349 0.784 20 0 BCADLO Cc1c[nH]c(-c2noc([C@H]3C[N@H+](C)CCO3)n2)n1 ZINC000896935867 583861711 /nfs/dbraw/zinc/86/17/11/583861711.db2.gz JUZLSSWYMXTSKS-MRVPVSSYSA-N 1 2 249.274 0.771 20 0 BCADLO Cc1c[nH]c(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)n1 ZINC000896935867 583861713 /nfs/dbraw/zinc/86/17/13/583861713.db2.gz JUZLSSWYMXTSKS-MRVPVSSYSA-N 1 2 249.274 0.771 20 0 BCADLO Cc1c[nH]c(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)n1 ZINC000896935868 583861951 /nfs/dbraw/zinc/86/19/51/583861951.db2.gz JUZLSSWYMXTSKS-QMMMGPOBSA-N 1 2 249.274 0.771 20 0 BCADLO Cc1c[nH]c(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)n1 ZINC000896935868 583861952 /nfs/dbraw/zinc/86/19/52/583861952.db2.gz JUZLSSWYMXTSKS-QMMMGPOBSA-N 1 2 249.274 0.771 20 0 BCADLO CCc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000896970177 583866350 /nfs/dbraw/zinc/86/63/50/583866350.db2.gz QJGUTZLAFSHLIZ-AEJSXWLSSA-N 1 2 237.303 0.725 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)O)c[nH+]1 ZINC000897056557 583874628 /nfs/dbraw/zinc/87/46/28/583874628.db2.gz KWOFFCSDFNPBRX-SNVBAGLBSA-N 1 2 239.319 0.814 20 0 BCADLO Cc1cc(NCCCc2nnnn2C)nc[nH+]1 ZINC000897249180 583902579 /nfs/dbraw/zinc/90/25/79/583902579.db2.gz ORUPKRPDIJFVTF-UHFFFAOYSA-N 1 2 233.279 0.353 20 0 BCADLO Cc1[nH+]cnc(NCCCc2nnnn2C)c1C ZINC000897250814 583903206 /nfs/dbraw/zinc/90/32/06/583903206.db2.gz CTGBVNDXIDREKU-UHFFFAOYSA-N 1 2 247.306 0.662 20 0 BCADLO CC1(C)C[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000751799549 583933557 /nfs/dbraw/zinc/93/35/57/583933557.db2.gz ZESXNJSEKGDFSM-SNVBAGLBSA-N 1 2 227.304 0.908 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cc[nH]n1 ZINC000858219258 588938877 /nfs/dbraw/zinc/93/88/77/588938877.db2.gz FVIPMOTVLWIGNT-UHFFFAOYSA-N 1 2 226.280 0.299 20 0 BCADLO CCNC(=S)NCCNc1cccc[nH+]1 ZINC000007442797 583969325 /nfs/dbraw/zinc/96/93/25/583969325.db2.gz JNDLWJGOZYLYTL-UHFFFAOYSA-N 1 2 224.333 0.978 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cocn1 ZINC000858220089 588939335 /nfs/dbraw/zinc/93/93/35/588939335.db2.gz LDWWFIYQHZOOPS-UHFFFAOYSA-N 1 2 227.264 0.564 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)C(=O)OC ZINC000863381863 583990553 /nfs/dbraw/zinc/99/05/53/583990553.db2.gz SCSMSHLVICVUPY-ZJUUUORDSA-N 1 2 241.287 0.789 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729649318 584021035 /nfs/dbraw/zinc/02/10/35/584021035.db2.gz XGVFINORANZBBL-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@@](C)(CO)COC)n1 ZINC000865672115 584025557 /nfs/dbraw/zinc/02/55/57/584025557.db2.gz NNKHFOSMXWNCIZ-NSHDSACASA-N 1 2 242.323 0.093 20 0 BCADLO CCC[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000897833634 584052534 /nfs/dbraw/zinc/05/25/34/584052534.db2.gz RITOGFAVMRFWNM-DTWKUNHWSA-N 1 2 203.282 0.689 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000897681270 584039140 /nfs/dbraw/zinc/03/91/40/584039140.db2.gz ZUYHJQFKLWUITM-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000897681270 584039142 /nfs/dbraw/zinc/03/91/42/584039142.db2.gz ZUYHJQFKLWUITM-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO O=C1CCCN1C1C[NH+](Cc2cn[nH]c2)C1 ZINC000897785251 584047958 /nfs/dbraw/zinc/04/79/58/584047958.db2.gz ZSIGUKQZYWASTI-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO Cc1c[nH]c(CN2CC(N3CCCC3=O)C2)[nH+]1 ZINC000897785067 584048368 /nfs/dbraw/zinc/04/83/68/584048368.db2.gz SHIZUXTZKZZLJQ-UHFFFAOYSA-N 1 2 234.303 0.525 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000897838064 584053561 /nfs/dbraw/zinc/05/35/61/584053561.db2.gz QDDGCVGUVRDQBI-QMMMGPOBSA-N 1 2 237.307 0.626 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000897838064 584053564 /nfs/dbraw/zinc/05/35/64/584053564.db2.gz QDDGCVGUVRDQBI-QMMMGPOBSA-N 1 2 237.307 0.626 20 0 BCADLO C[C@]1([NH2+]Cc2cc3n(n2)CCC3)CCNC1=O ZINC000897867799 584055080 /nfs/dbraw/zinc/05/50/80/584055080.db2.gz BGRZUMXSPZJYNP-LBPRGKRZSA-N 1 2 234.303 0.198 20 0 BCADLO Cc1cnc(C[NH2+][C@]2(C)CCNC2=O)o1 ZINC000897868316 584055229 /nfs/dbraw/zinc/05/52/29/584055229.db2.gz IASCVSPETVWXNX-SNVBAGLBSA-N 1 2 209.249 0.351 20 0 BCADLO CCc1nnc(C[NH2+][C@@]2(C)CCNC2=O)s1 ZINC000897866962 584055395 /nfs/dbraw/zinc/05/53/95/584055395.db2.gz KIIFHFUFMBWNQO-JTQLQIEISA-N 1 2 240.332 0.469 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+][C@]2(C)CCNC2=O)n1 ZINC000897866752 584055548 /nfs/dbraw/zinc/05/55/48/584055548.db2.gz GHMRJUGFVPFUKW-GFCCVEGCSA-N 1 2 236.319 0.901 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206590 584091743 /nfs/dbraw/zinc/09/17/43/584091743.db2.gz QRZHHMXAPMXIFO-LLVKDONJSA-N 1 2 209.293 0.969 20 0 BCADLO O=c1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c[nH]1 ZINC000898188942 584094631 /nfs/dbraw/zinc/09/46/31/584094631.db2.gz PZVQPAIHIIHGGD-UWVGGRQHSA-N 1 2 226.251 0.692 20 0 BCADLO O=c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c[nH]1 ZINC000898188942 584094632 /nfs/dbraw/zinc/09/46/32/584094632.db2.gz PZVQPAIHIIHGGD-UWVGGRQHSA-N 1 2 226.251 0.692 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC000898189095 584095060 /nfs/dbraw/zinc/09/50/60/584095060.db2.gz WUWKALXOKOSJLE-WDEREUQCSA-N 1 2 225.267 0.888 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC000898189095 584095062 /nfs/dbraw/zinc/09/50/62/584095062.db2.gz WUWKALXOKOSJLE-WDEREUQCSA-N 1 2 225.267 0.888 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cn1 ZINC000898189094 584095146 /nfs/dbraw/zinc/09/51/46/584095146.db2.gz WUWKALXOKOSJLE-QWRGUYRKSA-N 1 2 225.267 0.888 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cn1 ZINC000898189094 584095148 /nfs/dbraw/zinc/09/51/48/584095148.db2.gz WUWKALXOKOSJLE-QWRGUYRKSA-N 1 2 225.267 0.888 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898193405 584096393 /nfs/dbraw/zinc/09/63/93/584096393.db2.gz PJHYIYRDMXQEJC-GHMZBOCLSA-N 1 2 212.268 0.930 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898193405 584096394 /nfs/dbraw/zinc/09/63/94/584096394.db2.gz PJHYIYRDMXQEJC-GHMZBOCLSA-N 1 2 212.268 0.930 20 0 BCADLO C/C=C/C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000730034953 584100765 /nfs/dbraw/zinc/10/07/65/584100765.db2.gz IIDRAGWLTZOLKO-ONEGZZNKSA-N 1 2 248.330 0.640 20 0 BCADLO CSCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898486120 584139080 /nfs/dbraw/zinc/13/90/80/584139080.db2.gz QXRVCCCEOAEGBE-VIFPVBQESA-N 1 2 234.340 0.900 20 0 BCADLO CSCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898486120 584139082 /nfs/dbraw/zinc/13/90/82/584139082.db2.gz QXRVCCCEOAEGBE-VIFPVBQESA-N 1 2 234.340 0.900 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488832 584140219 /nfs/dbraw/zinc/14/02/19/584140219.db2.gz JEYPGMKRSRWFRR-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488832 584140220 /nfs/dbraw/zinc/14/02/20/584140220.db2.gz JEYPGMKRSRWFRR-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H]2C[C@]2(CO)C1 ZINC000858505932 588961495 /nfs/dbraw/zinc/96/14/95/588961495.db2.gz RAGSKOJJSQTQCS-JOYOIKCWSA-N 1 2 220.272 0.909 20 0 BCADLO C[C@H](NC(=O)NCc1cn(C)c[nH+]1)C(C)(C)O ZINC000898612483 584146155 /nfs/dbraw/zinc/14/61/55/584146155.db2.gz NKVFYSQPTQSUKT-QMMMGPOBSA-N 1 2 240.307 0.379 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC(C)(C)CO)c1 ZINC000898627809 584146855 /nfs/dbraw/zinc/14/68/55/584146855.db2.gz NVIZDXDBVRMEGI-UHFFFAOYSA-N 1 2 240.307 0.238 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@@H]2CO)c1 ZINC000898629794 584146956 /nfs/dbraw/zinc/14/69/56/584146956.db2.gz SOPURLXHJFOVMD-SNVBAGLBSA-N 1 2 238.291 0.086 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628036 584147364 /nfs/dbraw/zinc/14/73/64/584147364.db2.gz PKYNOCYNSGBKSR-SNVBAGLBSA-N 1 2 240.307 0.236 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC=CCC2)c1 ZINC000898626286 584147619 /nfs/dbraw/zinc/14/76/19/584147619.db2.gz FMQLYZPRTYINFW-UHFFFAOYSA-N 1 2 220.276 0.892 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC(C)(F)C2)c1 ZINC000898621945 584148004 /nfs/dbraw/zinc/14/80/04/584148004.db2.gz PMNCSDPQUYHLPA-UHFFFAOYSA-N 1 2 226.255 0.674 20 0 BCADLO Nc1cccnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810034 584160252 /nfs/dbraw/zinc/16/02/52/584160252.db2.gz HNQHCUNBVNVDCD-SECBINFHSA-N 1 2 243.270 0.735 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CCCC1 ZINC000898880230 584162565 /nfs/dbraw/zinc/16/25/65/584162565.db2.gz ADWNFALXTUGMEH-JTQLQIEISA-N 1 2 237.303 0.760 20 0 BCADLO CSCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884672 584163811 /nfs/dbraw/zinc/16/38/11/584163811.db2.gz RPYRYOCILRDFBX-QMMMGPOBSA-N 1 2 243.332 0.323 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(C)(C)C ZINC000898884114 584163944 /nfs/dbraw/zinc/16/39/44/584163944.db2.gz OTDJVGSBXLQBKJ-QMMMGPOBSA-N 1 2 225.292 0.616 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccnc1 ZINC000898881276 584164725 /nfs/dbraw/zinc/16/47/25/584164725.db2.gz JWTWSRZKTCBJTL-JTQLQIEISA-N 1 2 246.270 0.279 20 0 BCADLO CC/C=C(\C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898896515 584164942 /nfs/dbraw/zinc/16/49/42/584164942.db2.gz VIGVEKNHULIAGA-NAZIUFLLSA-N 1 2 237.303 0.926 20 0 BCADLO CC(C)(CNC(=O)Cn1cccn1)n1cc[nH+]c1 ZINC000898899581 584165061 /nfs/dbraw/zinc/16/50/61/584165061.db2.gz LYQSQHFFCRZIQQ-UHFFFAOYSA-N 1 2 247.302 0.631 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CC2(CC2)C1 ZINC000898896477 584165223 /nfs/dbraw/zinc/16/52/23/584165223.db2.gz QFIPBOWLCFAOPJ-SNVBAGLBSA-N 1 2 249.314 0.760 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CC(C)(F)F ZINC000898895965 584165295 /nfs/dbraw/zinc/16/52/95/584165295.db2.gz RWJLQNFPFFMWFW-ZETCQYMHSA-N 1 2 247.245 0.615 20 0 BCADLO Cc1ccoc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882483 584165312 /nfs/dbraw/zinc/16/53/12/584165312.db2.gz XYFKGDUCXWJFFM-VIFPVBQESA-N 1 2 249.270 0.785 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000898896427 584165372 /nfs/dbraw/zinc/16/53/72/584165372.db2.gz OXVJFKKVHKYOKG-ZDCRXTMVSA-N 1 2 249.314 0.616 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@]3(O)C2)c[nH+]1 ZINC000899220493 584183628 /nfs/dbraw/zinc/18/36/28/584183628.db2.gz CYHNNSMMQUKRSQ-GWCFXTLKSA-N 1 2 249.314 0.520 20 0 BCADLO C[C@@H]1NC(=S)N(Cc2cn(C)c[nH+]2)C1=O ZINC000899223715 584183870 /nfs/dbraw/zinc/18/38/70/584183870.db2.gz MTYWRVGAGRORBQ-LURJTMIESA-N 1 2 224.289 0.025 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899245431 584186164 /nfs/dbraw/zinc/18/61/64/584186164.db2.gz BEZPAUWNJTZAAN-NRUUGDAUSA-N 1 2 247.298 0.351 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@]12C[C@H]1COC2 ZINC000899245652 584186198 /nfs/dbraw/zinc/18/61/98/584186198.db2.gz FCXYZCIDJOCLJO-KWQFWETISA-N 1 2 221.260 0.247 20 0 BCADLO CON(CC(C)(C)C)c1nc(N)[nH+]c(N)n1 ZINC000858542831 588964202 /nfs/dbraw/zinc/96/42/02/588964202.db2.gz CFEWMMXNXICSMS-UHFFFAOYSA-N 1 2 226.284 0.450 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000899245540 584186976 /nfs/dbraw/zinc/18/69/76/584186976.db2.gz CXUZGISSLWSMSK-KWBADKCTSA-N 1 2 247.298 0.351 20 0 BCADLO Fc1nccnc1N1CCn2c[nH+]cc2C1 ZINC000858550842 588964525 /nfs/dbraw/zinc/96/45/25/588964525.db2.gz WHCSFMZDDBAPCH-UHFFFAOYSA-N 1 2 219.223 0.832 20 0 BCADLO O=C1CC(c2ccoc2)=NN1C1CC[NH2+]CC1 ZINC000899364522 584205529 /nfs/dbraw/zinc/20/55/29/584205529.db2.gz YNSQWFOQENPYMD-UHFFFAOYSA-N 1 2 233.271 0.968 20 0 BCADLO O=c1cc(-c2ccoc2)[nH]n1C1CC[NH2+]CC1 ZINC000899364522 584205530 /nfs/dbraw/zinc/20/55/30/584205530.db2.gz YNSQWFOQENPYMD-UHFFFAOYSA-N 1 2 233.271 0.968 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000899365379 584206133 /nfs/dbraw/zinc/20/61/33/584206133.db2.gz ZGHKBMOQAKEAAN-JMJZKYOTSA-N 1 2 237.303 0.098 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000899473791 584217457 /nfs/dbraw/zinc/21/74/57/584217457.db2.gz YRYUDQDJKAGJHM-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000899473791 584217458 /nfs/dbraw/zinc/21/74/58/584217458.db2.gz YRYUDQDJKAGJHM-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H]2COC)nn1 ZINC000899868182 584243554 /nfs/dbraw/zinc/24/35/54/584243554.db2.gz DFHLHKCJVZTNTJ-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H]2COC)nn1 ZINC000899868182 584243556 /nfs/dbraw/zinc/24/35/56/584243556.db2.gz DFHLHKCJVZTNTJ-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000858580434 588968902 /nfs/dbraw/zinc/96/89/02/588968902.db2.gz OJVSVUDACCHBEI-SFYZADRCSA-N 1 2 226.280 0.469 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccn3nccc3n2)CC1 ZINC000899905336 584251379 /nfs/dbraw/zinc/25/13/79/584251379.db2.gz WJOUNQLABGLABK-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO CC[C@@H](O)C[NH+]1CC(n2cc(C(C)=O)nn2)C1 ZINC000899912899 584253907 /nfs/dbraw/zinc/25/39/07/584253907.db2.gz SSZDKNULNIZKFL-SNVBAGLBSA-N 1 2 238.291 0.108 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)no1 ZINC000900011074 584266273 /nfs/dbraw/zinc/26/62/73/584266273.db2.gz ITUPSSNQJVIDCX-KWQFWETISA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)no1 ZINC000900011074 584266275 /nfs/dbraw/zinc/26/62/75/584266275.db2.gz ITUPSSNQJVIDCX-KWQFWETISA-N 1 2 239.275 0.377 20 0 BCADLO CCOC(=O)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900100925 584270808 /nfs/dbraw/zinc/27/08/08/584270808.db2.gz MUCGFCRABIKIHE-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCOC(=O)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900100925 584270810 /nfs/dbraw/zinc/27/08/10/584270810.db2.gz MUCGFCRABIKIHE-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1cccnc1 ZINC000900100334 584273508 /nfs/dbraw/zinc/27/35/08/584273508.db2.gz BDIMIBLRNDFDCA-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCc1cccnc1 ZINC000900100334 584273510 /nfs/dbraw/zinc/27/35/10/584273510.db2.gz BDIMIBLRNDFDCA-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO CC(C)[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c32)C1=O ZINC000900112878 584274386 /nfs/dbraw/zinc/27/43/86/584274386.db2.gz OUOMUWFCDPRTLN-BDAKNGLRSA-N 1 2 248.286 0.904 20 0 BCADLO CCN(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900143638 584277150 /nfs/dbraw/zinc/27/71/50/584277150.db2.gz KZHYFZVYJBHXHD-PKNBQFBNSA-N 1 2 226.320 0.743 20 0 BCADLO CCC[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157853 584280619 /nfs/dbraw/zinc/28/06/19/584280619.db2.gz NCZOJSRBIYUQMM-SECBINFHSA-N 1 2 236.275 0.641 20 0 BCADLO CC(C)[C@@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157347 584280643 /nfs/dbraw/zinc/28/06/43/584280643.db2.gz JKJUXRKMKCVNQJ-VIFPVBQESA-N 1 2 236.275 0.497 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000900158136 584280669 /nfs/dbraw/zinc/28/06/69/584280669.db2.gz PTYVAMUZFZLVAG-UHFFFAOYSA-N 1 2 248.286 0.785 20 0 BCADLO C[C@@H](CNC(=O)c1[nH]ncc1F)[NH+](C)C ZINC000900163395 584281257 /nfs/dbraw/zinc/28/12/57/584281257.db2.gz OSPYOWYXRJXGBW-LURJTMIESA-N 1 2 214.244 0.229 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCCn1cccn1 ZINC000900153806 584282986 /nfs/dbraw/zinc/28/29/86/584282986.db2.gz YFGKEKPIJHEKII-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCCn1cccn1 ZINC000900153806 584282987 /nfs/dbraw/zinc/28/29/87/584282987.db2.gz YFGKEKPIJHEKII-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000900197119 584285126 /nfs/dbraw/zinc/28/51/26/584285126.db2.gz NIOBBRAPVAMGSD-VLWUPBBWSA-N 1 2 249.314 0.701 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000900197118 584285428 /nfs/dbraw/zinc/28/54/28/584285428.db2.gz NIOBBRAPVAMGSD-QZPNVGJNSA-N 1 2 249.314 0.701 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCn1cccn1 ZINC000900361303 584295950 /nfs/dbraw/zinc/29/59/50/584295950.db2.gz HLJUXKYQWVCMAX-UHFFFAOYSA-N 1 2 245.286 0.506 20 0 BCADLO COC[C@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000900387787 584298189 /nfs/dbraw/zinc/29/81/89/584298189.db2.gz GBHWOLBOCLMUSG-SNVBAGLBSA-N 1 2 237.303 0.892 20 0 BCADLO O=C(c1n[nH]cc1F)N1CC[NH+](C2CC2)CC1 ZINC000900404513 584303890 /nfs/dbraw/zinc/30/38/90/584303890.db2.gz JLEASAUPFLIFBF-UHFFFAOYSA-N 1 2 238.266 0.469 20 0 BCADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cnoc1 ZINC000900473472 584317431 /nfs/dbraw/zinc/31/74/31/584317431.db2.gz FGFWVMQCOUFJRK-PSASIEDQSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cnoc1 ZINC000900473472 584317432 /nfs/dbraw/zinc/31/74/32/584317432.db2.gz FGFWVMQCOUFJRK-PSASIEDQSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cnoc1 ZINC000900473474 584317564 /nfs/dbraw/zinc/31/75/64/584317564.db2.gz FGFWVMQCOUFJRK-WCBMZHEXSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cnoc1 ZINC000900473474 584317566 /nfs/dbraw/zinc/31/75/66/584317566.db2.gz FGFWVMQCOUFJRK-WCBMZHEXSA-N 1 2 225.248 0.068 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900548053 584321289 /nfs/dbraw/zinc/32/12/89/584321289.db2.gz NXKHPGVGFKQVCX-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CC1COC1 ZINC000900616962 584332245 /nfs/dbraw/zinc/33/22/45/584332245.db2.gz MVLYFGHEDIFCID-UHFFFAOYSA-N 1 2 206.245 0.787 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900615538 584332577 /nfs/dbraw/zinc/33/25/77/584332577.db2.gz BAAXQJKDRPTCQP-FSIBCCDJSA-N 1 2 206.245 0.687 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646693 584335443 /nfs/dbraw/zinc/33/54/43/584335443.db2.gz HZMWZWLJIYPHQB-SGJFDWMWSA-N 1 2 209.249 0.005 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900667096 584337432 /nfs/dbraw/zinc/33/74/32/584337432.db2.gz YOKWQRRVZCKQRF-YUMQZZPRSA-N 1 2 211.265 0.433 20 0 BCADLO C[C@@H](CNC(=O)CCF)[NH+]1CCN(C)CC1 ZINC000900694606 584338828 /nfs/dbraw/zinc/33/88/28/584338828.db2.gz DZOPYZHLGBIMIP-JTQLQIEISA-N 1 2 231.315 0.098 20 0 BCADLO CN(Cc1cn[nH]c1)C(=O)CNc1cccc[nH+]1 ZINC000900714469 584344349 /nfs/dbraw/zinc/34/43/49/584344349.db2.gz RHNYMUGYHZBAPD-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900719847 584344408 /nfs/dbraw/zinc/34/44/08/584344408.db2.gz YHIPGZBOZJIAJU-ONGXEEELSA-N 1 2 237.303 0.673 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716250 584344654 /nfs/dbraw/zinc/34/46/54/584344654.db2.gz GLCGMRZXSOCBJE-ZMWSMAPVSA-N 1 2 221.260 0.203 20 0 BCADLO Cc1nonc1CNC(=O)CNc1cccc[nH+]1 ZINC000900743313 584348279 /nfs/dbraw/zinc/34/82/79/584348279.db2.gz QCDQKHKJPPRNEY-UHFFFAOYSA-N 1 2 247.258 0.501 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900779840 584350273 /nfs/dbraw/zinc/35/02/73/584350273.db2.gz GAPBMOJTCONOAQ-APPZFPTMSA-N 1 2 211.265 0.433 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900779840 584350274 /nfs/dbraw/zinc/35/02/74/584350274.db2.gz GAPBMOJTCONOAQ-APPZFPTMSA-N 1 2 211.265 0.433 20 0 BCADLO C[C@H]1CSCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900783087 584351225 /nfs/dbraw/zinc/35/12/25/584351225.db2.gz LOTCLDVBLKQPRX-QMMMGPOBSA-N 1 2 225.317 0.916 20 0 BCADLO C/C=C/[C@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900786776 584351616 /nfs/dbraw/zinc/35/16/16/584351616.db2.gz MZEGUNZRUIBAFZ-SEUFLZDSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](CNC(=O)CCF)Cn1cc[nH+]c1 ZINC000900788457 584352248 /nfs/dbraw/zinc/35/22/48/584352248.db2.gz VZYZLAHLORXRBP-VIFPVBQESA-N 1 2 213.256 0.995 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900898250 584362341 /nfs/dbraw/zinc/36/23/41/584362341.db2.gz HFMQBUHJGUUSSA-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900898250 584362344 /nfs/dbraw/zinc/36/23/44/584362344.db2.gz HFMQBUHJGUUSSA-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900900511 584364068 /nfs/dbraw/zinc/36/40/68/584364068.db2.gz WDGKKHQRHGCLKM-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900900511 584364072 /nfs/dbraw/zinc/36/40/72/584364072.db2.gz WDGKKHQRHGCLKM-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CON(C)C(=O)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000858834279 588978042 /nfs/dbraw/zinc/97/80/42/588978042.db2.gz RXROZEPFLDASHP-QMMMGPOBSA-N 1 2 224.264 0.605 20 0 BCADLO CCOC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900938950 584367948 /nfs/dbraw/zinc/36/79/48/584367948.db2.gz GKSIHFULKKAPMK-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000900987528 584372986 /nfs/dbraw/zinc/37/29/86/584372986.db2.gz TVJMPEWBYTXFGM-QMMMGPOBSA-N 1 2 225.248 0.020 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000900987528 584372988 /nfs/dbraw/zinc/37/29/88/584372988.db2.gz TVJMPEWBYTXFGM-QMMMGPOBSA-N 1 2 225.248 0.020 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CCOC2)C1 ZINC000901017699 584376861 /nfs/dbraw/zinc/37/68/61/584376861.db2.gz JHUMBOCCCFHMFB-GFCCVEGCSA-N 1 2 235.287 0.591 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NCC1(CO)CC1 ZINC000901052811 584379311 /nfs/dbraw/zinc/37/93/11/584379311.db2.gz SYSFAJLFQXIYAN-UHFFFAOYSA-N 1 2 249.314 0.934 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901092785 584384145 /nfs/dbraw/zinc/38/41/45/584384145.db2.gz ZLNWZSQGKHPXAW-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901092785 584384146 /nfs/dbraw/zinc/38/41/46/584384146.db2.gz ZLNWZSQGKHPXAW-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CCO)C1CC1 ZINC000901094378 584384389 /nfs/dbraw/zinc/38/43/89/584384389.db2.gz OQJQIGZPSRQQLE-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H](CCO)C1CC1 ZINC000901094378 584384391 /nfs/dbraw/zinc/38/43/91/584384391.db2.gz OQJQIGZPSRQQLE-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO C[C@](CO)(NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000901098893 584385188 /nfs/dbraw/zinc/38/51/88/584385188.db2.gz IRHMAZVFTQTKTH-CYBMUJFWSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)cn(C)c1=O ZINC000901122452 584387114 /nfs/dbraw/zinc/38/71/14/584387114.db2.gz DQSNCRLTUGPUGM-UHFFFAOYSA-N 1 2 246.270 0.598 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]c[nH]2)cn(C)c1=O ZINC000901122452 584387116 /nfs/dbraw/zinc/38/71/16/584387116.db2.gz DQSNCRLTUGPUGM-UHFFFAOYSA-N 1 2 246.270 0.598 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(CCO)CC1CC1 ZINC000901153436 584391644 /nfs/dbraw/zinc/39/16/44/584391644.db2.gz XFZPFWNIZZUEQI-UHFFFAOYSA-N 1 2 223.276 0.183 20 0 BCADLO CCC(CC)(CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901190848 584394748 /nfs/dbraw/zinc/39/47/48/584394748.db2.gz NLZQIRQWBYHLON-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CCC(CC)(CO)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901190848 584394749 /nfs/dbraw/zinc/39/47/49/584394749.db2.gz NLZQIRQWBYHLON-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCc1ccon1 ZINC000901199266 584398035 /nfs/dbraw/zinc/39/80/35/584398035.db2.gz RVAUJRBGETZABR-UHFFFAOYSA-N 1 2 246.270 0.840 20 0 BCADLO C[C@H]1COCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901200755 584398703 /nfs/dbraw/zinc/39/87/03/584398703.db2.gz JCTKRVIEVBRIJJ-SECBINFHSA-N 1 2 223.276 0.447 20 0 BCADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000901207126 584400162 /nfs/dbraw/zinc/40/01/62/584400162.db2.gz MVHHIIHTHQDMMT-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1O ZINC000901240550 584407039 /nfs/dbraw/zinc/40/70/39/584407039.db2.gz JCVZWFCKCHCCMY-WDEREUQCSA-N 1 2 249.314 0.723 20 0 BCADLO CC(C)(C)C(=O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901240434 584407048 /nfs/dbraw/zinc/40/70/48/584407048.db2.gz FMYGFLTVNDHZPG-UHFFFAOYSA-N 1 2 223.276 0.684 20 0 BCADLO CC(C)(C)C(=O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901240434 584407049 /nfs/dbraw/zinc/40/70/49/584407049.db2.gz FMYGFLTVNDHZPG-UHFFFAOYSA-N 1 2 223.276 0.684 20 0 BCADLO CC(=O)CCN(C)C(=O)CNc1cccc[nH+]1 ZINC000901245577 584407951 /nfs/dbraw/zinc/40/79/51/584407951.db2.gz GBKNPTCVEZTERE-UHFFFAOYSA-N 1 2 235.287 0.931 20 0 BCADLO O=C(NCCn1cc[nH+]c1)OCCF ZINC000858881129 588981329 /nfs/dbraw/zinc/98/13/29/588981329.db2.gz MZATXKLEQXAFND-UHFFFAOYSA-N 1 2 201.201 0.579 20 0 BCADLO CN(CC1CCOCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901278534 584413863 /nfs/dbraw/zinc/41/38/63/584413863.db2.gz CRFTYBDMWXWCSS-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO CO[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901330175 584424700 /nfs/dbraw/zinc/42/47/00/584424700.db2.gz POOZCTPVSGASRD-ONGXEEELSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901330175 584424702 /nfs/dbraw/zinc/42/47/02/584424702.db2.gz POOZCTPVSGASRD-ONGXEEELSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(F)(F)C1 ZINC000901337481 584426884 /nfs/dbraw/zinc/42/68/84/584426884.db2.gz WPDQSHPOHNAZEE-UHFFFAOYSA-N 1 2 215.203 0.820 20 0 BCADLO CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901355964 584432176 /nfs/dbraw/zinc/43/21/76/584432176.db2.gz WKLTUSAEEHMQFK-NSHDSACASA-N 1 2 237.303 0.836 20 0 BCADLO CCC[C@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901356224 584432187 /nfs/dbraw/zinc/43/21/87/584432187.db2.gz DXSZXCDUJDNTGN-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@](C)(CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901356224 584432189 /nfs/dbraw/zinc/43/21/89/584432189.db2.gz DXSZXCDUJDNTGN-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)C(=O)OC ZINC000901594533 584465589 /nfs/dbraw/zinc/46/55/89/584465589.db2.gz CJKVTDFQGLCRQM-DTWKUNHWSA-N 1 2 228.292 0.054 20 0 BCADLO CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)C(=O)OC ZINC000901594536 584465906 /nfs/dbraw/zinc/46/59/06/584465906.db2.gz CJKVTDFQGLCRQM-RKDXNWHRSA-N 1 2 228.292 0.054 20 0 BCADLO C[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902047993 584516622 /nfs/dbraw/zinc/51/66/22/584516622.db2.gz AVZQKRNFAOOTIG-NAKRPEOUSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902047993 584516623 /nfs/dbraw/zinc/51/66/23/584516623.db2.gz AVZQKRNFAOOTIG-NAKRPEOUSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902047999 584516660 /nfs/dbraw/zinc/51/66/60/584516660.db2.gz AVZQKRNFAOOTIG-ZNSHCXBVSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902047999 584516661 /nfs/dbraw/zinc/51/66/61/584516661.db2.gz AVZQKRNFAOOTIG-ZNSHCXBVSA-N 1 2 224.304 0.531 20 0 BCADLO COCC[N@H+](C)CN1C[C@@]2(CCCOC2)C1=O ZINC000902076908 584520760 /nfs/dbraw/zinc/52/07/60/584520760.db2.gz CCCPZCWCQVNMGZ-GFCCVEGCSA-N 1 2 242.319 0.161 20 0 BCADLO COCC[N@@H+](C)CN1C[C@@]2(CCCOC2)C1=O ZINC000902076908 584520762 /nfs/dbraw/zinc/52/07/62/584520762.db2.gz CCCPZCWCQVNMGZ-GFCCVEGCSA-N 1 2 242.319 0.161 20 0 BCADLO Cn1cnc(NCc2[nH+]ccn2C2CC2)n1 ZINC000902096547 584525008 /nfs/dbraw/zinc/52/50/08/584525008.db2.gz KJRHATNHMUQTOO-UHFFFAOYSA-N 1 2 218.264 0.959 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)C[C@@H](C)O1 ZINC000902127808 584529028 /nfs/dbraw/zinc/52/90/28/584529028.db2.gz XJTGFLOZXMVYKK-NXEZZACHSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)C[C@@H](C)O1 ZINC000902127808 584529029 /nfs/dbraw/zinc/52/90/29/584529029.db2.gz XJTGFLOZXMVYKK-NXEZZACHSA-N 1 2 228.292 0.895 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)NC[C@H](C)C1=O ZINC000902154029 584531628 /nfs/dbraw/zinc/53/16/28/584531628.db2.gz DILRSHPJCPBTEX-QMMMGPOBSA-N 1 2 249.270 0.778 20 0 BCADLO COCCCOCC[N@H+](C)CN1CCOC1=O ZINC000902210117 584539045 /nfs/dbraw/zinc/53/90/45/584539045.db2.gz LZGZPJBOVLLFEA-UHFFFAOYSA-N 1 2 246.307 0.381 20 0 BCADLO COCCCOCC[N@@H+](C)CN1CCOC1=O ZINC000902210117 584539046 /nfs/dbraw/zinc/53/90/46/584539046.db2.gz LZGZPJBOVLLFEA-UHFFFAOYSA-N 1 2 246.307 0.381 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@H]1CNC(=O)C1 ZINC000902220823 584540134 /nfs/dbraw/zinc/54/01/34/584540134.db2.gz LLUQRFOINOTWRY-MRVPVSSYSA-N 1 2 229.280 0.046 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)[C@H](C)O1 ZINC000902232451 584542430 /nfs/dbraw/zinc/54/24/30/584542430.db2.gz ACRMVDHKFRMTPP-DGORSVRFSA-N 1 2 238.331 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)[C@H](C)O1 ZINC000902232451 584542432 /nfs/dbraw/zinc/54/24/32/584542432.db2.gz ACRMVDHKFRMTPP-DGORSVRFSA-N 1 2 238.331 0.920 20 0 BCADLO CN(Cc1ccc(N)[nH+]c1)S(C)(=O)=O ZINC000902242029 584545641 /nfs/dbraw/zinc/54/56/41/584545641.db2.gz WUACRCJHGFQQLG-UHFFFAOYSA-N 1 2 215.278 0.055 20 0 BCADLO C[C@H]1C(=O)N(CCCc2c[nH+]cn2C)C(=O)[C@@H]1C ZINC000902274100 584550321 /nfs/dbraw/zinc/55/03/21/584550321.db2.gz SOFQTGGSCXEKLN-NXEZZACHSA-N 1 2 249.314 0.994 20 0 BCADLO CC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902302428 584553699 /nfs/dbraw/zinc/55/36/99/584553699.db2.gz OXEHAHRTMAWBQL-YFKTTZPYSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902302428 584553701 /nfs/dbraw/zinc/55/37/01/584553701.db2.gz OXEHAHRTMAWBQL-YFKTTZPYSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCOC2=O)[C@@H](C)CO1 ZINC000902301425 584553770 /nfs/dbraw/zinc/55/37/70/584553770.db2.gz CZBISJAKVHSLLP-UWVGGRQHSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCOC2=O)[C@@H](C)CO1 ZINC000902301425 584553772 /nfs/dbraw/zinc/55/37/72/584553772.db2.gz CZBISJAKVHSLLP-UWVGGRQHSA-N 1 2 228.292 0.895 20 0 BCADLO Nc1ccc(Cn2ncc3c2C[C@H](O)CC3)c[nH+]1 ZINC000902328836 584561866 /nfs/dbraw/zinc/56/18/66/584561866.db2.gz GQYYDYXLFNLCMS-LLVKDONJSA-N 1 2 244.298 0.758 20 0 BCADLO NC(=[NH+]OCCOC1CC1)[C@H]1CCCO1 ZINC000902381721 584576584 /nfs/dbraw/zinc/57/65/84/584576584.db2.gz NOOBQJHJVIIUHX-SECBINFHSA-N 1 2 214.265 0.843 20 0 BCADLO C[C@H]1CC[N@H+](CN2CCOC2=O)CCO1 ZINC000902384431 584577288 /nfs/dbraw/zinc/57/72/88/584577288.db2.gz QRZLXIKBLZMWAL-VIFPVBQESA-N 1 2 214.265 0.507 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CCOC2=O)CCO1 ZINC000902384431 584577290 /nfs/dbraw/zinc/57/72/90/584577290.db2.gz QRZLXIKBLZMWAL-VIFPVBQESA-N 1 2 214.265 0.507 20 0 BCADLO Nc1ccc(Cn2cc3c(n2)CC[C@@H](O)C3)c[nH+]1 ZINC000902506124 584621826 /nfs/dbraw/zinc/62/18/26/584621826.db2.gz OLLDXFHNOAFCRO-LLVKDONJSA-N 1 2 244.298 0.758 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536345 584627974 /nfs/dbraw/zinc/62/79/74/584627974.db2.gz IDHBQYPGTSMRKB-NSHDSACASA-N 1 2 240.303 0.897 20 0 BCADLO O=C1OCCN1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536345 584627976 /nfs/dbraw/zinc/62/79/76/584627976.db2.gz IDHBQYPGTSMRKB-NSHDSACASA-N 1 2 240.303 0.897 20 0 BCADLO CN(C)C(=O)NOCc1ccc(N)[nH+]c1 ZINC000902602631 584641654 /nfs/dbraw/zinc/64/16/54/584641654.db2.gz SDBLLPSYCRUNRX-UHFFFAOYSA-N 1 2 210.237 0.367 20 0 BCADLO CCn1cnc(C[NH2+][C@@H](C)C(=O)N(C)OC)c1 ZINC000902626621 584646452 /nfs/dbraw/zinc/64/64/52/584646452.db2.gz IQAUALGSHZYHPW-VIFPVBQESA-N 1 2 240.307 0.401 20 0 BCADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@H]2CO)[C@@H]1C1CC1 ZINC000902631838 584646765 /nfs/dbraw/zinc/64/67/65/584646765.db2.gz JTIKNICEKPMJSI-GHMZBOCLSA-N 1 2 238.331 0.658 20 0 BCADLO CC1(C)C(=O)N(C[N@H+]2CC[C@@H]2CO)[C@@H]1C1CC1 ZINC000902631838 584646767 /nfs/dbraw/zinc/64/67/67/584646767.db2.gz JTIKNICEKPMJSI-GHMZBOCLSA-N 1 2 238.331 0.658 20 0 BCADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@H]2CO)[C@@H]1C1CC1 ZINC000902631843 584646846 /nfs/dbraw/zinc/64/68/46/584646846.db2.gz JTIKNICEKPMJSI-WDEREUQCSA-N 1 2 238.331 0.658 20 0 BCADLO CC1(C)C(=O)N(C[N@H+]2CC[C@H]2CO)[C@@H]1C1CC1 ZINC000902631843 584646847 /nfs/dbraw/zinc/64/68/47/584646847.db2.gz JTIKNICEKPMJSI-WDEREUQCSA-N 1 2 238.331 0.658 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1cccnc1=S ZINC000902631165 584646954 /nfs/dbraw/zinc/64/69/54/584646954.db2.gz UKRXNZVVWBTRBK-MRVPVSSYSA-N 1 2 211.290 0.637 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1cccnc1=S ZINC000902631165 584646955 /nfs/dbraw/zinc/64/69/55/584646955.db2.gz UKRXNZVVWBTRBK-MRVPVSSYSA-N 1 2 211.290 0.637 20 0 BCADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CC[C@H]1CO ZINC000902630925 584647044 /nfs/dbraw/zinc/64/70/44/584647044.db2.gz SMHOAKJESMAAQS-QWHCGFSZSA-N 1 2 246.310 0.984 20 0 BCADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CC[C@H]1CO ZINC000902630925 584647045 /nfs/dbraw/zinc/64/70/45/584647045.db2.gz SMHOAKJESMAAQS-QWHCGFSZSA-N 1 2 246.310 0.984 20 0 BCADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@@H]1CO ZINC000902631129 584647226 /nfs/dbraw/zinc/64/72/26/584647226.db2.gz GDXRODSOUVVWIV-IJLUTSLNSA-N 1 2 238.331 0.802 20 0 BCADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@@H]1CO ZINC000902631129 584647228 /nfs/dbraw/zinc/64/72/28/584647228.db2.gz GDXRODSOUVVWIV-IJLUTSLNSA-N 1 2 238.331 0.802 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000902630802 584647253 /nfs/dbraw/zinc/64/72/53/584647253.db2.gz DDIPFMZRZBSVMQ-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000902630802 584647255 /nfs/dbraw/zinc/64/72/55/584647255.db2.gz DDIPFMZRZBSVMQ-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@@H]1CO ZINC000902634473 584648398 /nfs/dbraw/zinc/64/83/98/584648398.db2.gz KGAWMHBTEZOVHH-GMTAPVOTSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@@H]1CO ZINC000902634473 584648400 /nfs/dbraw/zinc/64/84/00/584648400.db2.gz KGAWMHBTEZOVHH-GMTAPVOTSA-N 1 2 224.304 0.269 20 0 BCADLO C[C@@H]1CN(C[N@@H+]2CC[C@@H]2CO)C(=O)[C@H]1C ZINC000902634234 584648456 /nfs/dbraw/zinc/64/84/56/584648456.db2.gz CWEYZDGCRAODFR-KXUCPTDWSA-N 1 2 212.293 0.125 20 0 BCADLO C[C@@H]1CN(C[N@H+]2CC[C@@H]2CO)C(=O)[C@H]1C ZINC000902634234 584648458 /nfs/dbraw/zinc/64/84/58/584648458.db2.gz CWEYZDGCRAODFR-KXUCPTDWSA-N 1 2 212.293 0.125 20 0 BCADLO CCc1noc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000902697935 584654919 /nfs/dbraw/zinc/65/49/19/584654919.db2.gz DLPWJNMWUHGTLD-SSDOTTSWSA-N 1 2 249.274 0.857 20 0 BCADLO Cc1cc(C)[nH+]c(Cn2nnnc2[C@H](C)O)c1 ZINC000902734939 584662670 /nfs/dbraw/zinc/66/26/70/584662670.db2.gz QHXQVQNYFFIHTH-VIFPVBQESA-N 1 2 233.275 0.787 20 0 BCADLO CN1CC(=O)N(CCOc2cc[nH+]cc2)C1=O ZINC000902734633 584662773 /nfs/dbraw/zinc/66/27/73/584662773.db2.gz WVJKWHHHJYUWOZ-UHFFFAOYSA-N 1 2 235.243 0.354 20 0 BCADLO CC(C)(C)c1nc(CO[NH+]=C(N)CO)co1 ZINC000902763950 584665266 /nfs/dbraw/zinc/66/52/66/584665266.db2.gz PARQDUGKINEWIB-UHFFFAOYSA-N 1 2 227.264 0.963 20 0 BCADLO CCNC(=O)NOCc1ccc(N(C)C)[nH+]c1 ZINC000902769392 584667367 /nfs/dbraw/zinc/66/73/67/584667367.db2.gz FTRZJNPBUOAAJD-UHFFFAOYSA-N 1 2 238.291 0.898 20 0 BCADLO O=C(NCCn1cc[nH+]c1)OC1COC1 ZINC000902780554 584669668 /nfs/dbraw/zinc/66/96/68/584669668.db2.gz ZKLPSDREBBNWBO-UHFFFAOYSA-N 1 2 211.221 0.008 20 0 BCADLO O=C(CCO)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000902791187 584672581 /nfs/dbraw/zinc/67/25/81/584672581.db2.gz SCZHOOCSPBNRFS-UHFFFAOYSA-N 1 2 246.270 0.266 20 0 BCADLO O=C(CCO)N1CC[NH+](Cc2ccncc2)CC1 ZINC000902787679 584672879 /nfs/dbraw/zinc/67/28/79/584672879.db2.gz BELZRKQSCHMUOK-UHFFFAOYSA-N 1 2 249.314 0.108 20 0 BCADLO C[C@H]1CCN(C(=O)CCO)C[C@H]1n1cc[nH+]c1 ZINC000902901121 584693242 /nfs/dbraw/zinc/69/32/42/584693242.db2.gz PQCMPYGZXVEJRH-WDEREUQCSA-N 1 2 237.303 0.675 20 0 BCADLO O=C(CCO)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000902967332 584702250 /nfs/dbraw/zinc/70/22/50/584702250.db2.gz GJRUVBMLZDGLGH-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)NC1CC1 ZINC000903002520 584716222 /nfs/dbraw/zinc/71/62/22/584716222.db2.gz CBAPNPACSILGTF-QMMMGPOBSA-N 1 2 200.257 0.699 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NC1CC1 ZINC000903002520 584716223 /nfs/dbraw/zinc/71/62/23/584716223.db2.gz CBAPNPACSILGTF-QMMMGPOBSA-N 1 2 200.257 0.699 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](F)C1 ZINC000903001957 584716363 /nfs/dbraw/zinc/71/63/63/584716363.db2.gz SKOCIYXKNATAJZ-BQBZGAKWSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](F)C1 ZINC000903001957 584716365 /nfs/dbraw/zinc/71/63/65/584716365.db2.gz SKOCIYXKNATAJZ-BQBZGAKWSA-N 1 2 217.244 0.004 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903014478 584718261 /nfs/dbraw/zinc/71/82/61/584718261.db2.gz UCNBZCVKSJCDFF-JMJZKYOTSA-N 1 2 240.307 0.270 20 0 BCADLO Cc1nc(C(=O)NCc2cn(C)c[nH+]2)no1 ZINC000903036952 584719528 /nfs/dbraw/zinc/71/95/28/584719528.db2.gz WDFVWZOXGOGVHB-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO CC1(C)C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557318 584783309 /nfs/dbraw/zinc/78/33/09/584783309.db2.gz NORLXDQPGZVJNM-GHMZBOCLSA-N 1 2 239.363 0.177 20 0 BCADLO O=C([O-])[C@@H]1C[C@H](F)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000903617814 584787279 /nfs/dbraw/zinc/78/72/79/584787279.db2.gz TYEPCXVRDMPXFT-UWVGGRQHSA-N 1 2 241.266 0.770 20 0 BCADLO O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCCn1cc[nH+]c1 ZINC000903617814 584787281 /nfs/dbraw/zinc/78/72/81/584787281.db2.gz TYEPCXVRDMPXFT-UWVGGRQHSA-N 1 2 241.266 0.770 20 0 BCADLO C[C@H](O)CC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903897018 584819935 /nfs/dbraw/zinc/81/99/35/584819935.db2.gz XUULQEGQHJCRRV-JGVFFNPUSA-N 1 2 210.268 0.672 20 0 BCADLO C[C@H](O)CC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903897018 584819936 /nfs/dbraw/zinc/81/99/36/584819936.db2.gz XUULQEGQHJCRRV-JGVFFNPUSA-N 1 2 210.268 0.672 20 0 BCADLO Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936006 584825985 /nfs/dbraw/zinc/82/59/85/584825985.db2.gz CTNYUYPTPWHQIZ-SKDRFNHKSA-N 1 2 235.287 0.859 20 0 BCADLO Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936006 584825986 /nfs/dbraw/zinc/82/59/86/584825986.db2.gz CTNYUYPTPWHQIZ-SKDRFNHKSA-N 1 2 235.287 0.859 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nn1 ZINC000904315382 584863473 /nfs/dbraw/zinc/86/34/73/584863473.db2.gz AYSGVSKCAWJPEK-NSHDSACASA-N 1 2 249.318 0.015 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nn1 ZINC000904315382 584863474 /nfs/dbraw/zinc/86/34/74/584863474.db2.gz AYSGVSKCAWJPEK-NSHDSACASA-N 1 2 249.318 0.015 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccc(N)nn2)[C@H](C)C1 ZINC000904321827 584864563 /nfs/dbraw/zinc/86/45/63/584864563.db2.gz HNXSKGVPLQXEFP-SECBINFHSA-N 1 2 249.318 0.111 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccc(N)nn2)[C@H](C)C1 ZINC000904321827 584864564 /nfs/dbraw/zinc/86/45/64/584864564.db2.gz HNXSKGVPLQXEFP-SECBINFHSA-N 1 2 249.318 0.111 20 0 BCADLO CC(C)(C)n1cc(C[NH2+][C@H]2CNOC2)nn1 ZINC000904424737 584880950 /nfs/dbraw/zinc/88/09/50/584880950.db2.gz XNLVCUNEHMYKEE-VIFPVBQESA-N 1 2 225.296 0.026 20 0 BCADLO c1nn(-c2ccccc2)nc1C[NH2+][C@H]1CNOC1 ZINC000904426588 584881755 /nfs/dbraw/zinc/88/17/55/584881755.db2.gz CNCJKMNAHWPVKW-NSHDSACASA-N 1 2 245.286 0.260 20 0 BCADLO CCONC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875504943 584884221 /nfs/dbraw/zinc/88/42/21/584884221.db2.gz JIDKUVDBDCETHG-ZETCQYMHSA-N 1 2 210.237 0.059 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](CC[S@@](C)=O)C2)n[nH]1 ZINC000828626660 584904026 /nfs/dbraw/zinc/90/40/26/584904026.db2.gz JQRHCFKLZACXRU-JDNHERCYSA-N 1 2 242.348 0.281 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](CC[S@@](C)=O)C2)n[nH]1 ZINC000828626660 584904028 /nfs/dbraw/zinc/90/40/28/584904028.db2.gz JQRHCFKLZACXRU-JDNHERCYSA-N 1 2 242.348 0.281 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccon1 ZINC000761085772 584909370 /nfs/dbraw/zinc/90/93/70/584909370.db2.gz CXQHABIPRCHUFK-SFYZADRCSA-N 1 2 207.233 0.707 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1ccon1 ZINC000761085772 584909371 /nfs/dbraw/zinc/90/93/71/584909371.db2.gz CXQHABIPRCHUFK-SFYZADRCSA-N 1 2 207.233 0.707 20 0 BCADLO C[C@H]1C(=O)N(Cc2[nH+]ccn2C)C(=O)N1C1CC1 ZINC000761228283 584911097 /nfs/dbraw/zinc/91/10/97/584911097.db2.gz AAZXIKUOLHTSAQ-QMMMGPOBSA-N 1 2 248.286 0.735 20 0 BCADLO CC1(C)CO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832797164 584912571 /nfs/dbraw/zinc/91/25/71/584912571.db2.gz JHTMCLAOPXAOAY-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CCOC1=O ZINC000731104126 584922347 /nfs/dbraw/zinc/92/23/47/584922347.db2.gz CJDXRKZTWNWEQI-VIFPVBQESA-N 1 2 214.265 0.159 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CCOC1=O ZINC000731104126 584922348 /nfs/dbraw/zinc/92/23/48/584922348.db2.gz CJDXRKZTWNWEQI-VIFPVBQESA-N 1 2 214.265 0.159 20 0 BCADLO Cc1[nH]c(C(=O)NCc2nc(C3CC3)no2)c[nH+]1 ZINC000731871001 584930191 /nfs/dbraw/zinc/93/01/91/584930191.db2.gz CBLZWMPGEWIGMY-UHFFFAOYSA-N 1 2 247.258 0.909 20 0 BCADLO Cc1cc(NC(=O)[C@H](O)c2cccnc2)cc[nH+]1 ZINC000732262626 584935022 /nfs/dbraw/zinc/93/50/22/584935022.db2.gz VTGDTEORLUDBBA-GFCCVEGCSA-N 1 2 243.266 0.879 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H](O)c1cccnc1 ZINC000732271517 584935199 /nfs/dbraw/zinc/93/51/99/584935199.db2.gz ZYFQFQPCNSDPDM-LLVKDONJSA-N 1 2 246.270 0.128 20 0 BCADLO CO[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000788046792 584939010 /nfs/dbraw/zinc/93/90/10/584939010.db2.gz KKRCQAUGDGBDDJ-QMMMGPOBSA-N 1 2 212.249 0.541 20 0 BCADLO CCc1cc(N(C)CCS(C)(=O)=O)nc[nH+]1 ZINC000733189702 584945236 /nfs/dbraw/zinc/94/52/36/584945236.db2.gz GWMNVLUDGHRCRE-UHFFFAOYSA-N 1 2 243.332 0.520 20 0 BCADLO CCc1nc(NCC(=O)NCC(F)F)cc[nH+]1 ZINC000884495392 584954670 /nfs/dbraw/zinc/95/46/70/584954670.db2.gz UBUROEJSIZWJIR-UHFFFAOYSA-N 1 2 244.245 0.832 20 0 BCADLO COc1ncc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000733955588 584955455 /nfs/dbraw/zinc/95/54/55/584955455.db2.gz KEAXGCZMWMIESU-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO Cc1nonc1CN1CCn2cc[nH+]c2C1 ZINC000734146734 584957249 /nfs/dbraw/zinc/95/72/49/584957249.db2.gz HYUXDCWZOANOOX-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO CCc1nc(N2C[C@H](CO)[C@H](CO)C2)cc[nH+]1 ZINC000884574463 584959010 /nfs/dbraw/zinc/95/90/10/584959010.db2.gz LXUOJHAWWYAXKB-AOOOYVTPSA-N 1 2 237.303 0.076 20 0 BCADLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1cn[nH]n1 ZINC000734403379 584961402 /nfs/dbraw/zinc/96/14/02/584961402.db2.gz JBQRZFOHUKLFNC-UHFFFAOYSA-N 1 2 248.290 0.443 20 0 BCADLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1c[nH]nn1 ZINC000734403379 584961403 /nfs/dbraw/zinc/96/14/03/584961403.db2.gz JBQRZFOHUKLFNC-UHFFFAOYSA-N 1 2 248.290 0.443 20 0 BCADLO Cn1ccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000735925790 584984469 /nfs/dbraw/zinc/98/44/69/584984469.db2.gz RKWDSYLJEDCPLT-UHFFFAOYSA-N 1 2 234.303 0.340 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H](CO)C1CC1 ZINC000771012447 584992908 /nfs/dbraw/zinc/99/29/08/584992908.db2.gz NKORIZQZTQLHIR-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000755923494 585002959 /nfs/dbraw/zinc/00/29/59/585002959.db2.gz RGSUFALMCREANO-NSHDSACASA-N 1 2 226.320 0.925 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000755923494 585002960 /nfs/dbraw/zinc/00/29/60/585002960.db2.gz RGSUFALMCREANO-NSHDSACASA-N 1 2 226.320 0.925 20 0 BCADLO COCC[C@H](C)O[NH+]=C(N)[C@H](C)OC ZINC000755945163 585004580 /nfs/dbraw/zinc/00/45/80/585004580.db2.gz MNACRQFLCQVLRA-YUMQZZPRSA-N 1 2 204.270 0.945 20 0 BCADLO C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000820149565 585010887 /nfs/dbraw/zinc/01/08/87/585010887.db2.gz YXVXJDCXTHQJOG-MRVPVSSYSA-N 1 2 219.244 0.897 20 0 BCADLO Cc1nc(NC(=O)/C=C\c2cn(C)c[nH+]2)nn1C ZINC000820302619 585012059 /nfs/dbraw/zinc/01/20/59/585012059.db2.gz ANTOCIFFRAUDKO-PLNGDYQASA-N 1 2 246.274 0.509 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1nc[nH]n1 ZINC000772784022 585016703 /nfs/dbraw/zinc/01/67/03/585016703.db2.gz PHNUNRSGEGPCPZ-UHFFFAOYSA-N 1 2 219.204 0.461 20 0 BCADLO Cc1nnccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109211 585023777 /nfs/dbraw/zinc/02/37/77/585023777.db2.gz GKOONBMKYVVSTQ-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2=COCC2)c1 ZINC000890113891 585024130 /nfs/dbraw/zinc/02/41/30/585024130.db2.gz BQPPXVDGHWEICT-UHFFFAOYSA-N 1 2 207.233 0.341 20 0 BCADLO CO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788081424 585027265 /nfs/dbraw/zinc/02/72/65/585027265.db2.gz QCWCMSNZCQYCES-DTWKUNHWSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788081424 585027266 /nfs/dbraw/zinc/02/72/66/585027266.db2.gz QCWCMSNZCQYCES-DTWKUNHWSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788081419 585027281 /nfs/dbraw/zinc/02/72/81/585027281.db2.gz QCWCMSNZCQYCES-BDAKNGLRSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788081419 585027282 /nfs/dbraw/zinc/02/72/82/585027282.db2.gz QCWCMSNZCQYCES-BDAKNGLRSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000889319595 585037731 /nfs/dbraw/zinc/03/77/31/585037731.db2.gz ZEQDRTLOGUZSGG-UWVGGRQHSA-N 1 2 223.276 0.588 20 0 BCADLO COC/C=C/C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000866981737 585046945 /nfs/dbraw/zinc/04/69/45/585046945.db2.gz LYHDTLUXTBDBGB-UFFNRZRYSA-N 1 2 249.314 0.939 20 0 BCADLO CC[C@@](C)(CO)C(=O)OCCn1cc[nH+]c1 ZINC000838208165 585048058 /nfs/dbraw/zinc/04/80/58/585048058.db2.gz HVWPLDBBTDCLIK-NSHDSACASA-N 1 2 226.276 0.835 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@H](O)C1CCC1 ZINC000838310544 585052590 /nfs/dbraw/zinc/05/25/90/585052590.db2.gz HSOWGRPFDHUDDD-NSHDSACASA-N 1 2 238.287 0.667 20 0 BCADLO Nc1cc(COC(=O)[C@H](O)C2CCC2)cc[nH+]1 ZINC000838312776 585052903 /nfs/dbraw/zinc/05/29/03/585052903.db2.gz VONAQTWJSIZERB-LLVKDONJSA-N 1 2 236.271 0.868 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@H](C)C(=O)OC)n1 ZINC000838800164 585069160 /nfs/dbraw/zinc/06/91/60/585069160.db2.gz RBJYXHDLAFKIQM-VIFPVBQESA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@H](C)C(=O)OC)n1 ZINC000838800164 585069161 /nfs/dbraw/zinc/06/91/61/585069161.db2.gz RBJYXHDLAFKIQM-VIFPVBQESA-N 1 2 240.307 0.539 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)C1CC1 ZINC000838817580 585071729 /nfs/dbraw/zinc/07/17/29/585071729.db2.gz QEEUPPFUFRYXQP-VIFPVBQESA-N 1 2 215.293 0.689 20 0 BCADLO CCn1ncc(C[N@H+](C)CC(C)(C)O)n1 ZINC000838838538 585073860 /nfs/dbraw/zinc/07/38/60/585073860.db2.gz MEFMJDYFLIKFQF-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000838838538 585073861 /nfs/dbraw/zinc/07/38/61/585073861.db2.gz MEFMJDYFLIKFQF-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)C1CC1 ZINC000838898848 585079589 /nfs/dbraw/zinc/07/95/89/585079589.db2.gz XZSAVAYFSWENEV-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000838898848 585079590 /nfs/dbraw/zinc/07/95/90/585079590.db2.gz XZSAVAYFSWENEV-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H](O)C2CC2)CC1=O ZINC000838938819 585081980 /nfs/dbraw/zinc/08/19/80/585081980.db2.gz CUBRQRXLAWCKJR-GFCCVEGCSA-N 1 2 240.347 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H](O)C2CC2)CC1=O ZINC000838938819 585081981 /nfs/dbraw/zinc/08/19/81/585081981.db2.gz CUBRQRXLAWCKJR-GFCCVEGCSA-N 1 2 240.347 0.558 20 0 BCADLO O[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000838967480 585082945 /nfs/dbraw/zinc/08/29/45/585082945.db2.gz WITMFLMMZJWQEI-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000838967480 585082946 /nfs/dbraw/zinc/08/29/46/585082946.db2.gz WITMFLMMZJWQEI-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000838976603 585083617 /nfs/dbraw/zinc/08/36/17/585083617.db2.gz BZXFDVCZMULUCG-QMMMGPOBSA-N 1 2 209.236 0.317 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000838976603 585083618 /nfs/dbraw/zinc/08/36/18/585083618.db2.gz BZXFDVCZMULUCG-QMMMGPOBSA-N 1 2 209.236 0.317 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000838981403 585083907 /nfs/dbraw/zinc/08/39/07/585083907.db2.gz PWNCEHSKPWWIGB-GXFFZTMASA-N 1 2 249.362 0.870 20 0 BCADLO Cc1cnn(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133488 585093915 /nfs/dbraw/zinc/09/39/15/585093915.db2.gz PSVKTDXFVSHMCV-UHFFFAOYSA-N 1 2 223.320 0.931 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2=O)C12CCC2 ZINC000839191031 585097637 /nfs/dbraw/zinc/09/76/37/585097637.db2.gz NDVJFDJXYKLSJW-KXUCPTDWSA-N 1 2 225.288 0.849 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@@H]1CCOC1=O ZINC000839466958 585104706 /nfs/dbraw/zinc/10/47/06/585104706.db2.gz KZBKVCIZYPBFQS-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@@H]1CCOC1=O ZINC000839466958 585104707 /nfs/dbraw/zinc/10/47/07/585104707.db2.gz KZBKVCIZYPBFQS-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccn[nH]1 ZINC000886229131 585115839 /nfs/dbraw/zinc/11/58/39/585115839.db2.gz LOKVMZIFUCYPAN-MNOVXSKESA-N 1 2 225.292 0.429 20 0 BCADLO Cc1[nH]c(C(=O)NCC2OCCCO2)c[nH+]1 ZINC000788161288 585117268 /nfs/dbraw/zinc/11/72/68/585117268.db2.gz HJRNSUBUFQBLHI-UHFFFAOYSA-N 1 2 225.248 0.211 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+]C1(CO)CCOCC1 ZINC000741785058 585119085 /nfs/dbraw/zinc/11/90/85/585119085.db2.gz OBQULKHKOKDSEQ-SNVBAGLBSA-N 1 2 245.319 0.459 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+]C1(CO)CCOCC1 ZINC000741785056 585119162 /nfs/dbraw/zinc/11/91/62/585119162.db2.gz OBQULKHKOKDSEQ-JTQLQIEISA-N 1 2 245.319 0.459 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCO)CCOC ZINC000741797289 585119343 /nfs/dbraw/zinc/11/93/43/585119343.db2.gz QZSOWELFJFMPRT-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCO)CCOC ZINC000741797289 585119344 /nfs/dbraw/zinc/11/93/44/585119344.db2.gz QZSOWELFJFMPRT-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195065 585122792 /nfs/dbraw/zinc/12/27/92/585122792.db2.gz FDMVRNHERMXGMX-IUCAKERBSA-N 1 2 216.350 0.900 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195065 585122793 /nfs/dbraw/zinc/12/27/93/585122793.db2.gz FDMVRNHERMXGMX-IUCAKERBSA-N 1 2 216.350 0.900 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)on1 ZINC000742197931 585123072 /nfs/dbraw/zinc/12/30/72/585123072.db2.gz WXVUIKZIWXAYBQ-SECBINFHSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000742197931 585123073 /nfs/dbraw/zinc/12/30/73/585123073.db2.gz WXVUIKZIWXAYBQ-SECBINFHSA-N 1 2 223.276 0.759 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000743273969 585134531 /nfs/dbraw/zinc/13/45/31/585134531.db2.gz ZOBIMYWVFTUVGQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000743273969 585134532 /nfs/dbraw/zinc/13/45/32/585134532.db2.gz ZOBIMYWVFTUVGQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000743273969 585134533 /nfs/dbraw/zinc/13/45/33/585134533.db2.gz ZOBIMYWVFTUVGQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000743273969 585134534 /nfs/dbraw/zinc/13/45/34/585134534.db2.gz ZOBIMYWVFTUVGQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO C[C@H]1C[N@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743349455 585135560 /nfs/dbraw/zinc/13/55/60/585135560.db2.gz SWMCCQKVXLCRCM-JTQLQIEISA-N 1 2 224.304 0.820 20 0 BCADLO C[C@H]1C[N@@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743349455 585135561 /nfs/dbraw/zinc/13/55/61/585135561.db2.gz SWMCCQKVXLCRCM-JTQLQIEISA-N 1 2 224.304 0.820 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ncco1 ZINC000886528933 585141597 /nfs/dbraw/zinc/14/15/97/585141597.db2.gz TZMRYBATBAUFKS-RKDXNWHRSA-N 1 2 223.276 0.994 20 0 BCADLO COC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000744609374 585151819 /nfs/dbraw/zinc/15/18/19/585151819.db2.gz QPCFEWJHEZEHIH-MRVPVSSYSA-N 1 2 243.332 0.862 20 0 BCADLO CCOC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082351 585156172 /nfs/dbraw/zinc/15/61/72/585156172.db2.gz NXSDRTPAJORWGS-NXEZZACHSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082351 585156173 /nfs/dbraw/zinc/15/61/73/585156173.db2.gz NXSDRTPAJORWGS-NXEZZACHSA-N 1 2 243.303 0.966 20 0 BCADLO CN1CC[C@H](OC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC000745082908 585156301 /nfs/dbraw/zinc/15/63/01/585156301.db2.gz RTZMPSASZWDYNR-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[C@H](OC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC000745082908 585156302 /nfs/dbraw/zinc/15/63/02/585156302.db2.gz RTZMPSASZWDYNR-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO CCN(C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745079969 585156346 /nfs/dbraw/zinc/15/63/46/585156346.db2.gz OCLBNUVTBNHKRH-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745079969 585156347 /nfs/dbraw/zinc/15/63/47/585156347.db2.gz OCLBNUVTBNHKRH-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1=O ZINC000745084352 585156439 /nfs/dbraw/zinc/15/64/39/585156439.db2.gz SQSRBKOMORKWLA-ZJUUUORDSA-N 1 2 241.287 0.720 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1=O ZINC000745084352 585156440 /nfs/dbraw/zinc/15/64/40/585156440.db2.gz SQSRBKOMORKWLA-ZJUUUORDSA-N 1 2 241.287 0.720 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745085922 585156493 /nfs/dbraw/zinc/15/64/93/585156493.db2.gz PFOOFEFNYYRYCA-DTWKUNHWSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745085922 585156494 /nfs/dbraw/zinc/15/64/94/585156494.db2.gz PFOOFEFNYYRYCA-DTWKUNHWSA-N 1 2 227.260 0.329 20 0 BCADLO CC(C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470880 585168391 /nfs/dbraw/zinc/16/83/91/585168391.db2.gz SZLXTLGQNDZVSX-AWEZNQCLSA-N 1 2 218.366 0.391 20 0 BCADLO CCC[N@H+](CCF)[C@@H]1CCS(=O)(=O)C1 ZINC000746503120 585169209 /nfs/dbraw/zinc/16/92/09/585169209.db2.gz OTWJVQKHHYYHMZ-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CCC[N@@H+](CCF)[C@@H]1CCS(=O)(=O)C1 ZINC000746503120 585169210 /nfs/dbraw/zinc/16/92/10/585169210.db2.gz OTWJVQKHHYYHMZ-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO O=c1sccn1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000746615930 585170753 /nfs/dbraw/zinc/17/07/53/585170753.db2.gz RHZZFJWBDFEHMX-LLVKDONJSA-N 1 2 240.328 0.980 20 0 BCADLO O=c1sccn1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000746615930 585170754 /nfs/dbraw/zinc/17/07/54/585170754.db2.gz RHZZFJWBDFEHMX-LLVKDONJSA-N 1 2 240.328 0.980 20 0 BCADLO CO[C@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746612865 585170946 /nfs/dbraw/zinc/17/09/46/585170946.db2.gz COXXQSTZFFXETQ-QMMMGPOBSA-N 1 2 214.290 0.588 20 0 BCADLO CO[C@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746612865 585170947 /nfs/dbraw/zinc/17/09/47/585170947.db2.gz COXXQSTZFFXETQ-QMMMGPOBSA-N 1 2 214.290 0.588 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1ccc(C(N)=O)o1 ZINC000747249686 585177303 /nfs/dbraw/zinc/17/73/03/585177303.db2.gz QGMQTRUADXJSPF-UHFFFAOYSA-N 1 2 249.226 0.469 20 0 BCADLO CCN(C)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789628403 585178333 /nfs/dbraw/zinc/17/83/33/585178333.db2.gz WCIYEYLKCLAEIO-QMMMGPOBSA-N 1 2 229.280 0.142 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)c2ccccn2)c[nH+]1 ZINC000747635404 585181753 /nfs/dbraw/zinc/18/17/53/585181753.db2.gz NPVRAPXVQHLANS-LLVKDONJSA-N 1 2 246.270 0.577 20 0 BCADLO O=C(C[C@@H]1CCOC1)OCC[NH+]1CCOCC1 ZINC000747704049 585182392 /nfs/dbraw/zinc/18/23/92/585182392.db2.gz NUWKGEJZMKDUAV-NSHDSACASA-N 1 2 243.303 0.288 20 0 BCADLO Cc1cc(C(=O)OCC[NH+]2CCOCC2)n[nH]1 ZINC000747695144 585182423 /nfs/dbraw/zinc/18/24/23/585182423.db2.gz SZMOAAHCNNVSTI-UHFFFAOYSA-N 1 2 239.275 0.207 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@H]1CCOC1 ZINC000747835552 585185062 /nfs/dbraw/zinc/18/50/62/585185062.db2.gz JCGFUEVHKUSFQT-VIFPVBQESA-N 1 2 243.307 0.436 20 0 BCADLO CO[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000748313192 585190677 /nfs/dbraw/zinc/19/06/77/585190677.db2.gz ZNLSJGUDYROJBC-SSDOTTSWSA-N 1 2 210.233 0.573 20 0 BCADLO C[C@H]1CN(C(=O)c2cncs2)CC[N@@H+]1C ZINC000748356910 585191559 /nfs/dbraw/zinc/19/15/59/585191559.db2.gz YUGLPLBADBOKQP-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@H]1CN(C(=O)c2cncs2)CC[N@H+]1C ZINC000748356910 585191560 /nfs/dbraw/zinc/19/15/60/585191560.db2.gz YUGLPLBADBOKQP-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO CO[C@@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000748405376 585192358 /nfs/dbraw/zinc/19/23/58/585192358.db2.gz JRZOOQGCVYUACU-ZETCQYMHSA-N 1 2 211.265 0.759 20 0 BCADLO C[N@H+](CCS(N)(=O)=O)Cc1cccc(O)c1 ZINC000748816067 585196485 /nfs/dbraw/zinc/19/64/85/585196485.db2.gz CNHRMJPZIBMKBY-UHFFFAOYSA-N 1 2 244.316 0.113 20 0 BCADLO C[N@@H+](CCS(N)(=O)=O)Cc1cccc(O)c1 ZINC000748816067 585196486 /nfs/dbraw/zinc/19/64/86/585196486.db2.gz CNHRMJPZIBMKBY-UHFFFAOYSA-N 1 2 244.316 0.113 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H]1C(=O)OC ZINC000748816967 585196517 /nfs/dbraw/zinc/19/65/17/585196517.db2.gz XEJDEGHBWTVCAZ-MBACFSSFSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000748816967 585196518 /nfs/dbraw/zinc/19/65/18/585196518.db2.gz XEJDEGHBWTVCAZ-MBACFSSFSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)C(C)(C)C(=O)OC ZINC000748818299 585196793 /nfs/dbraw/zinc/19/67/93/585196793.db2.gz UBIGSSNCTHXCQV-VQHVLOKHSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)C(C)(C)C(=O)OC ZINC000748818299 585196794 /nfs/dbraw/zinc/19/67/94/585196794.db2.gz UBIGSSNCTHXCQV-VQHVLOKHSA-N 1 2 243.303 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCCOC[C@@H]1C ZINC000749508203 585202957 /nfs/dbraw/zinc/20/29/57/585202957.db2.gz BVNOBGIRGYIXAP-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@@H+]1CCCOC[C@@H]1C ZINC000749508203 585202958 /nfs/dbraw/zinc/20/29/58/585202958.db2.gz BVNOBGIRGYIXAP-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1[nH]ccc1C(=O)OCC[NH+]1CCOCC1 ZINC000750525052 585216489 /nfs/dbraw/zinc/21/64/89/585216489.db2.gz HCPHIFHNMHFSIL-UHFFFAOYSA-N 1 2 238.287 0.812 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)N[C@H](C)C1=O ZINC000750535268 585217099 /nfs/dbraw/zinc/21/70/99/585217099.db2.gz YLEXOSLNYBZVQZ-SSDOTTSWSA-N 1 2 222.248 0.343 20 0 BCADLO O=C1OCC[C@H]1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000750720408 585218678 /nfs/dbraw/zinc/21/86/78/585218678.db2.gz OGTRJDULJYTCGC-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@H]1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000750720408 585218679 /nfs/dbraw/zinc/21/86/79/585218679.db2.gz OGTRJDULJYTCGC-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@H]1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000750720408 585218680 /nfs/dbraw/zinc/21/86/80/585218680.db2.gz OGTRJDULJYTCGC-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@H]1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000750720408 585218681 /nfs/dbraw/zinc/21/86/81/585218681.db2.gz OGTRJDULJYTCGC-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO C/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750747285 585219497 /nfs/dbraw/zinc/21/94/97/585219497.db2.gz QWNILJGXLBIXOJ-UMBAGQNISA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750747285 585219498 /nfs/dbraw/zinc/21/94/98/585219498.db2.gz QWNILJGXLBIXOJ-UMBAGQNISA-N 1 2 212.293 0.399 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)OCCF ZINC000859217734 589020157 /nfs/dbraw/zinc/02/01/57/589020157.db2.gz SVIIAVSKHYIFTE-UHFFFAOYSA-N 1 2 201.201 0.948 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)OCCF ZINC000859217734 589020159 /nfs/dbraw/zinc/02/01/59/589020159.db2.gz SVIIAVSKHYIFTE-UHFFFAOYSA-N 1 2 201.201 0.948 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000751375461 585228141 /nfs/dbraw/zinc/22/81/41/585228141.db2.gz IKVXVNNLPFJOAJ-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000751375461 585228142 /nfs/dbraw/zinc/22/81/42/585228142.db2.gz IKVXVNNLPFJOAJ-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO CS/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000751459309 585230542 /nfs/dbraw/zinc/23/05/42/585230542.db2.gz XELKJZUJHDHONI-XNWCZRBMSA-N 1 2 230.333 0.312 20 0 BCADLO CS/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751572726 585232993 /nfs/dbraw/zinc/23/29/93/585232993.db2.gz UCIMSOOXXUDFBG-GJQXAKHRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751572726 585232994 /nfs/dbraw/zinc/23/29/94/585232994.db2.gz UCIMSOOXXUDFBG-GJQXAKHRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000751576369 585233249 /nfs/dbraw/zinc/23/32/49/585233249.db2.gz ALBGMYHSXBBVRS-ANRVEHPFSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000751576369 585233250 /nfs/dbraw/zinc/23/32/50/585233250.db2.gz ALBGMYHSXBBVRS-ANRVEHPFSA-N 1 2 244.360 0.700 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000752086878 585242211 /nfs/dbraw/zinc/24/22/11/585242211.db2.gz BHNSTTTXSAJKHM-MRVPVSSYSA-N 1 2 225.248 0.334 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000752086878 585242212 /nfs/dbraw/zinc/24/22/12/585242212.db2.gz BHNSTTTXSAJKHM-MRVPVSSYSA-N 1 2 225.248 0.334 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000752096333 585242537 /nfs/dbraw/zinc/24/25/37/585242537.db2.gz XWOPZIYXRKBJAC-LDYMZIIASA-N 1 2 246.282 0.050 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000752096333 585242538 /nfs/dbraw/zinc/24/25/38/585242538.db2.gz XWOPZIYXRKBJAC-LDYMZIIASA-N 1 2 246.282 0.050 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)c1cccc2[nH+]ccn21 ZINC000752625734 585248415 /nfs/dbraw/zinc/24/84/15/585248415.db2.gz JJGDUIYUXLUSEA-LLVKDONJSA-N 1 2 245.282 0.835 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC=CO1 ZINC000752950633 585251606 /nfs/dbraw/zinc/25/16/06/585251606.db2.gz IJEOJXHCXNQFKJ-JTQLQIEISA-N 1 2 221.260 0.729 20 0 BCADLO Cc1noc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000752957649 585251931 /nfs/dbraw/zinc/25/19/31/585251931.db2.gz YNKCMBNQNPMVMT-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO CC(C)OCC(N)=NOCc1c[nH+]cn1C ZINC000753119020 585253844 /nfs/dbraw/zinc/25/38/44/585253844.db2.gz WXJUMFMHJYHRJA-UHFFFAOYSA-N 1 2 226.280 0.844 20 0 BCADLO CON(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000753655032 585265692 /nfs/dbraw/zinc/26/56/92/585265692.db2.gz VOEMONINEXQJKT-MRVPVSSYSA-N 1 2 224.264 0.401 20 0 BCADLO CNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753678413 585266013 /nfs/dbraw/zinc/26/60/13/585266013.db2.gz XSTBMLYDRYDMSW-SECBINFHSA-N 1 2 236.344 0.754 20 0 BCADLO CO[C@@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000753678077 585266266 /nfs/dbraw/zinc/26/62/66/585266266.db2.gz GKEKDENGQUKTIS-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO CCC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000753722178 585266967 /nfs/dbraw/zinc/26/69/67/585266967.db2.gz IBXFHNTWNTVLFO-JTQLQIEISA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC ZINC000753722178 585266968 /nfs/dbraw/zinc/26/69/68/585266968.db2.gz IBXFHNTWNTVLFO-JTQLQIEISA-N 1 2 212.293 0.566 20 0 BCADLO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000753711210 585267235 /nfs/dbraw/zinc/26/72/35/585267235.db2.gz ZXKJLVRAGYIOCU-VIFPVBQESA-N 1 2 242.319 0.178 20 0 BCADLO CC(C)(C)C(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000753711210 585267236 /nfs/dbraw/zinc/26/72/36/585267236.db2.gz ZXKJLVRAGYIOCU-VIFPVBQESA-N 1 2 242.319 0.178 20 0 BCADLO Cc1nonc1C(=O)NCCc1c[nH+]cn1C ZINC000753970356 585273856 /nfs/dbraw/zinc/27/38/56/585273856.db2.gz CLPWFSQGFYNCKP-UHFFFAOYSA-N 1 2 235.247 0.084 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C[C@H]1C ZINC000754226862 585280593 /nfs/dbraw/zinc/28/05/93/585280593.db2.gz UZILIZKUAMIMNK-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C[C@H]1C ZINC000754226862 585280594 /nfs/dbraw/zinc/28/05/94/585280594.db2.gz UZILIZKUAMIMNK-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C[C@@H]1C ZINC000754226861 585280737 /nfs/dbraw/zinc/28/07/37/585280737.db2.gz UZILIZKUAMIMNK-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C[C@@H]1C ZINC000754226861 585280738 /nfs/dbraw/zinc/28/07/38/585280738.db2.gz UZILIZKUAMIMNK-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO C/C=C/C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754300616 585282240 /nfs/dbraw/zinc/28/22/40/585282240.db2.gz WDKOEZCYLXHLSB-CWDCEQMOSA-N 1 2 244.360 0.085 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1nnc(C2CC2)o1 ZINC000754296886 585282439 /nfs/dbraw/zinc/28/24/39/585282439.db2.gz YHKIFMPVAJLLDT-LURJTMIESA-N 1 2 240.263 0.980 20 0 BCADLO CC(=O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000754666061 585288992 /nfs/dbraw/zinc/28/89/92/585288992.db2.gz ICZSBZGJIXKDLA-UHFFFAOYSA-N 1 2 222.292 0.635 20 0 BCADLO CC(=O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000754666061 585288993 /nfs/dbraw/zinc/28/89/93/585288993.db2.gz ICZSBZGJIXKDLA-UHFFFAOYSA-N 1 2 222.292 0.635 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CCOC1 ZINC000754685742 585289464 /nfs/dbraw/zinc/28/94/64/585289464.db2.gz PZMLFCYLZMGDKI-VIFPVBQESA-N 1 2 224.260 0.890 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)OCCF)[C@@H](C)CO1 ZINC000859219837 589020733 /nfs/dbraw/zinc/02/07/33/589020733.db2.gz JFUPDJNDXGJXKG-UWVGGRQHSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)OCCF)[C@@H](C)CO1 ZINC000859219837 589020735 /nfs/dbraw/zinc/02/07/35/589020735.db2.gz JFUPDJNDXGJXKG-UWVGGRQHSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000755229316 585296595 /nfs/dbraw/zinc/29/65/95/585296595.db2.gz NRSUTQQGFRDOTD-QMMMGPOBSA-N 1 2 219.244 0.445 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C=C2CCC2)CCO1 ZINC000755282780 585297251 /nfs/dbraw/zinc/29/72/51/585297251.db2.gz QFSRMDDDZAIKCN-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C=C2CCC2)CCO1 ZINC000755282780 585297252 /nfs/dbraw/zinc/29/72/52/585297252.db2.gz QFSRMDDDZAIKCN-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C=C1CCC1 ZINC000755323293 585297751 /nfs/dbraw/zinc/29/77/51/585297751.db2.gz JXJFSGZRDINWDV-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C=C1CCC1 ZINC000755323293 585297752 /nfs/dbraw/zinc/29/77/52/585297752.db2.gz JXJFSGZRDINWDV-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO CNC(=S)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755398783 585298997 /nfs/dbraw/zinc/29/89/97/585298997.db2.gz SNMIDOQKCXSANC-QMMMGPOBSA-N 1 2 224.333 0.714 20 0 BCADLO CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC000755467759 585300197 /nfs/dbraw/zinc/30/01/97/585300197.db2.gz MOPWLMRXUHRIOS-UHFFFAOYSA-N 1 2 233.271 0.789 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000756095852 585314245 /nfs/dbraw/zinc/31/42/45/585314245.db2.gz VSLVOEFTPMKJJS-ONRRBMGISA-N 1 2 241.287 0.743 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000756095852 585314246 /nfs/dbraw/zinc/31/42/46/585314246.db2.gz VSLVOEFTPMKJJS-ONRRBMGISA-N 1 2 241.287 0.743 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cncs1 ZINC000839574003 585330471 /nfs/dbraw/zinc/33/04/71/585330471.db2.gz ITRROFRFHRXJNZ-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cncs1 ZINC000839574003 585330472 /nfs/dbraw/zinc/33/04/72/585330472.db2.gz ITRROFRFHRXJNZ-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839670564 585336318 /nfs/dbraw/zinc/33/63/18/585336318.db2.gz HSXSCPSRYDOZHI-KOLCDFICSA-N 1 2 215.293 0.437 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839670564 585336319 /nfs/dbraw/zinc/33/63/19/585336319.db2.gz HSXSCPSRYDOZHI-KOLCDFICSA-N 1 2 215.293 0.437 20 0 BCADLO O=c1n(C[NH+]2C3CCC2CC3)nc2n1CCCC2 ZINC000758291032 585353355 /nfs/dbraw/zinc/35/33/55/585353355.db2.gz SAQGYCJHMOXOHR-UHFFFAOYSA-N 1 2 248.330 0.965 20 0 BCADLO C[C@H]1C[NH+](Cn2nc3cnccn3c2=O)C[C@@H]1C ZINC000758341758 585354081 /nfs/dbraw/zinc/35/40/81/585354081.db2.gz SYSUTMMNJFFONX-UWVGGRQHSA-N 1 2 247.302 0.436 20 0 BCADLO CC[C@]1(C)CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758350169 585354410 /nfs/dbraw/zinc/35/44/10/585354410.db2.gz AZSPNNHVNRMNDI-LLVKDONJSA-N 1 2 224.308 0.661 20 0 BCADLO CC[C@]1(C)CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758350169 585354411 /nfs/dbraw/zinc/35/44/11/585354411.db2.gz AZSPNNHVNRMNDI-LLVKDONJSA-N 1 2 224.308 0.661 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cn1nc2n(c1=O)CCCC2 ZINC000758345119 585354431 /nfs/dbraw/zinc/35/44/31/585354431.db2.gz ICHSBTWTSIGUJO-SNVBAGLBSA-N 1 2 236.319 0.823 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cn1nc2n(c1=O)CCCC2 ZINC000758345119 585354432 /nfs/dbraw/zinc/35/44/32/585354432.db2.gz ICHSBTWTSIGUJO-SNVBAGLBSA-N 1 2 236.319 0.823 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC2(C1)CCOCC2 ZINC000759070307 585364041 /nfs/dbraw/zinc/36/40/41/585364041.db2.gz GBYWFXHZYMWKPF-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CCS(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000759331231 585367039 /nfs/dbraw/zinc/36/70/39/585367039.db2.gz XLRCHRCDUDBRDO-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000759331231 585367038 /nfs/dbraw/zinc/36/70/38/585367038.db2.gz XLRCHRCDUDBRDO-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCF ZINC000759326811 585367597 /nfs/dbraw/zinc/36/75/97/585367597.db2.gz HMYZZXNVKPGSPM-VIFPVBQESA-N 1 2 200.257 0.699 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCF ZINC000759326811 585367598 /nfs/dbraw/zinc/36/75/98/585367598.db2.gz HMYZZXNVKPGSPM-VIFPVBQESA-N 1 2 200.257 0.699 20 0 BCADLO FCC[NH+]1CCN(c2cccnn2)CC1 ZINC000759339398 585368538 /nfs/dbraw/zinc/36/85/38/585368538.db2.gz OKPNPDODBPNBKS-UHFFFAOYSA-N 1 2 210.256 0.568 20 0 BCADLO Cn1ccnc1CN1CC[NH+](CCF)CC1 ZINC000759344240 585369528 /nfs/dbraw/zinc/36/95/28/585369528.db2.gz BSRFLLRYDHZPAQ-UHFFFAOYSA-N 1 2 226.299 0.507 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000759367426 585371288 /nfs/dbraw/zinc/37/12/88/585371288.db2.gz YQOBKASCICCFMG-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000759367426 585371289 /nfs/dbraw/zinc/37/12/89/585371289.db2.gz YQOBKASCICCFMG-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO FCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000759371410 585371499 /nfs/dbraw/zinc/37/14/99/585371499.db2.gz BJWFPWKTUIKZJK-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000759371410 585371500 /nfs/dbraw/zinc/37/15/00/585371500.db2.gz BJWFPWKTUIKZJK-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO COCc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=O)o1 ZINC000759733612 585379555 /nfs/dbraw/zinc/37/95/55/585379555.db2.gz NRNYCQLRZDSGPG-IUCAKERBSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=O)o1 ZINC000759733612 585379556 /nfs/dbraw/zinc/37/95/56/585379556.db2.gz NRNYCQLRZDSGPG-IUCAKERBSA-N 1 2 241.291 0.671 20 0 BCADLO CCC[N@H+](CC)Cn1nc(COC)oc1=O ZINC000759730222 585379651 /nfs/dbraw/zinc/37/96/51/585379651.db2.gz ITJXXJVXPGMUOJ-UHFFFAOYSA-N 1 2 229.280 0.672 20 0 BCADLO CCC[N@@H+](CC)Cn1nc(COC)oc1=O ZINC000759730222 585379652 /nfs/dbraw/zinc/37/96/52/585379652.db2.gz ITJXXJVXPGMUOJ-UHFFFAOYSA-N 1 2 229.280 0.672 20 0 BCADLO COC(=O)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000759812688 585380799 /nfs/dbraw/zinc/38/07/99/585380799.db2.gz YDGQUQYPNOWUEL-MRVPVSSYSA-N 1 2 247.316 0.140 20 0 BCADLO COC(C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1)OC ZINC000759876139 585381988 /nfs/dbraw/zinc/38/19/88/585381988.db2.gz RIZSYXJTOKTMCP-PSLIRLAXSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[C@@H](C)[S@@](=O)CC1)OC ZINC000759876139 585381989 /nfs/dbraw/zinc/38/19/89/585381989.db2.gz RIZSYXJTOKTMCP-PSLIRLAXSA-N 1 2 235.349 0.448 20 0 BCADLO C[C@@H](C[N@@H+]1CCN(C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077110 585404136 /nfs/dbraw/zinc/40/41/36/585404136.db2.gz KMQRGKGVWNMKRB-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C[N@H+]1CCN(C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077110 585404137 /nfs/dbraw/zinc/40/41/37/585404137.db2.gz KMQRGKGVWNMKRB-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@H+](C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077110 585404138 /nfs/dbraw/zinc/40/41/38/585404138.db2.gz KMQRGKGVWNMKRB-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@@H+](C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077110 585404139 /nfs/dbraw/zinc/40/41/39/585404139.db2.gz KMQRGKGVWNMKRB-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000761054560 585404374 /nfs/dbraw/zinc/40/43/74/585404374.db2.gz HBNAQPCIHDOQAW-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000761054560 585404375 /nfs/dbraw/zinc/40/43/75/585404375.db2.gz HBNAQPCIHDOQAW-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ccnc(C[N@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000761062060 585405092 /nfs/dbraw/zinc/40/50/92/585405092.db2.gz XVMCGWWCWUUZDH-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000761062060 585405093 /nfs/dbraw/zinc/40/50/93/585405093.db2.gz XVMCGWWCWUUZDH-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000761069379 585405628 /nfs/dbraw/zinc/40/56/28/585405628.db2.gz LBNFVQPAJDIWEM-NEPJUHHUSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000761069379 585405629 /nfs/dbraw/zinc/40/56/29/585405629.db2.gz LBNFVQPAJDIWEM-NEPJUHHUSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761075658 585406345 /nfs/dbraw/zinc/40/63/45/585406345.db2.gz KIGWQJHDRNWHMQ-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761075658 585406346 /nfs/dbraw/zinc/40/63/46/585406346.db2.gz KIGWQJHDRNWHMQ-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO C/C=C(\C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000761302710 585413413 /nfs/dbraw/zinc/41/34/13/585413413.db2.gz FRWLWQSZZDMKAF-HSHPDBBSSA-N 1 2 224.304 0.494 20 0 BCADLO C/C=C(\C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000761302710 585413414 /nfs/dbraw/zinc/41/34/14/585413414.db2.gz FRWLWQSZZDMKAF-HSHPDBBSSA-N 1 2 224.304 0.494 20 0 BCADLO C/C=C(\C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000761302708 585413481 /nfs/dbraw/zinc/41/34/81/585413481.db2.gz FRWLWQSZZDMKAF-BDMRALOESA-N 1 2 224.304 0.494 20 0 BCADLO C/C=C(\C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000761302708 585413482 /nfs/dbraw/zinc/41/34/82/585413482.db2.gz FRWLWQSZZDMKAF-BDMRALOESA-N 1 2 224.304 0.494 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CCCOCC1 ZINC000762487776 585433175 /nfs/dbraw/zinc/43/31/75/585433175.db2.gz GFNAYQIXSCRQDJ-GFCCVEGCSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CCCOCC1 ZINC000762487776 585433176 /nfs/dbraw/zinc/43/31/76/585433176.db2.gz GFNAYQIXSCRQDJ-GFCCVEGCSA-N 1 2 238.331 0.925 20 0 BCADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CCF ZINC000762636324 585434684 /nfs/dbraw/zinc/43/46/84/585434684.db2.gz XGMHUMHUGUGYTJ-MRVPVSSYSA-N 1 2 221.297 0.936 20 0 BCADLO COC(=O)C[C@@H]1CSCC[N@H+]1CCF ZINC000762636324 585434685 /nfs/dbraw/zinc/43/46/85/585434685.db2.gz XGMHUMHUGUGYTJ-MRVPVSSYSA-N 1 2 221.297 0.936 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cnsn1 ZINC000763118506 585443169 /nfs/dbraw/zinc/44/31/69/585443169.db2.gz MPBZPSOMBOEAFH-UHFFFAOYSA-N 1 2 224.245 0.592 20 0 BCADLO CC[C@@H](O[NH+]=C(N)COC(C)C)C(N)=O ZINC000763425828 585448110 /nfs/dbraw/zinc/44/81/10/585448110.db2.gz HQKSMXKNTKRYLH-SSDOTTSWSA-N 1 2 217.269 0.174 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763692230 585452703 /nfs/dbraw/zinc/45/27/03/585452703.db2.gz SXBNFQREBDMJHI-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763692230 585452704 /nfs/dbraw/zinc/45/27/04/585452704.db2.gz SXBNFQREBDMJHI-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763743069 585453506 /nfs/dbraw/zinc/45/35/06/585453506.db2.gz XUWKWRSJUFVLOO-SNVBAGLBSA-N 1 2 249.314 0.948 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763743069 585453507 /nfs/dbraw/zinc/45/35/07/585453507.db2.gz XUWKWRSJUFVLOO-SNVBAGLBSA-N 1 2 249.314 0.948 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000763803362 585454879 /nfs/dbraw/zinc/45/48/79/585454879.db2.gz RVGAJNZMFNZKCZ-JTQLQIEISA-N 1 2 229.276 0.041 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)C[C@@H](C)C1)OC ZINC000763877495 585455884 /nfs/dbraw/zinc/45/58/84/585455884.db2.gz JMASWBKEJOEQIV-VFZGTOFNSA-N 1 2 235.349 0.306 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)C[C@@H](C)C1)OC ZINC000763877495 585455885 /nfs/dbraw/zinc/45/58/85/585455885.db2.gz JMASWBKEJOEQIV-VFZGTOFNSA-N 1 2 235.349 0.306 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H]1COC(=O)O1 ZINC000763983057 585458153 /nfs/dbraw/zinc/45/81/53/585458153.db2.gz SSNYLQPROBQCID-BDAKNGLRSA-N 1 2 243.259 0.549 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@@H]1COC(=O)O1 ZINC000763983057 585458154 /nfs/dbraw/zinc/45/81/54/585458154.db2.gz SSNYLQPROBQCID-BDAKNGLRSA-N 1 2 243.259 0.549 20 0 BCADLO C[C@H](CO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000765220199 585482898 /nfs/dbraw/zinc/48/28/98/585482898.db2.gz XRJPPLNNPUJRLQ-SECBINFHSA-N 1 2 233.271 0.787 20 0 BCADLO O=C(NN1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000765241734 585483255 /nfs/dbraw/zinc/48/32/55/585483255.db2.gz ZODQSWVIUYIHSE-NSHDSACASA-N 1 2 248.330 0.963 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnn(C)c1C ZINC000766018631 585495951 /nfs/dbraw/zinc/49/59/51/585495951.db2.gz NDGGPKCFMIIBGK-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnn(C)c1C ZINC000766018631 585495952 /nfs/dbraw/zinc/49/59/52/585495952.db2.gz NDGGPKCFMIIBGK-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO C[C@@H](CO)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000766730637 585506861 /nfs/dbraw/zinc/50/68/61/585506861.db2.gz NKCMHQVXHXDUDN-UWVGGRQHSA-N 1 2 247.360 0.595 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCNC1=O ZINC000767349221 585517168 /nfs/dbraw/zinc/51/71/68/585517168.db2.gz JZCQEHOEUDDPMH-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCNC1=O ZINC000767349221 585517169 /nfs/dbraw/zinc/51/71/69/585517169.db2.gz JZCQEHOEUDDPMH-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)C1CC1 ZINC000767373751 585518630 /nfs/dbraw/zinc/51/86/30/585518630.db2.gz BHPVNCIALARISW-SECBINFHSA-N 1 2 247.360 0.721 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)C1CC1 ZINC000767373751 585518631 /nfs/dbraw/zinc/51/86/31/585518631.db2.gz BHPVNCIALARISW-SECBINFHSA-N 1 2 247.360 0.721 20 0 BCADLO CCOCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767429362 585520196 /nfs/dbraw/zinc/52/01/96/585520196.db2.gz LOCHLTWHXIREKC-PHIMTYICSA-N 1 2 243.303 0.429 20 0 BCADLO CCOCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767429362 585520197 /nfs/dbraw/zinc/52/01/97/585520197.db2.gz LOCHLTWHXIREKC-PHIMTYICSA-N 1 2 243.303 0.429 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000768343278 585536272 /nfs/dbraw/zinc/53/62/72/585536272.db2.gz OKMNQXYVZPVBMB-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO CC(=O)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC000768342433 585536299 /nfs/dbraw/zinc/53/62/99/585536299.db2.gz GZPZWFGTVXZOGX-UHFFFAOYSA-N 1 2 242.319 0.146 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)F)CCO1 ZINC000768381869 585537374 /nfs/dbraw/zinc/53/73/74/585537374.db2.gz IZSHITBJUPNSSI-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)F)CCO1 ZINC000768381869 585537375 /nfs/dbraw/zinc/53/73/75/585537375.db2.gz IZSHITBJUPNSSI-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000768765941 585542653 /nfs/dbraw/zinc/54/26/53/585542653.db2.gz WSMRWICYLNVQIM-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000768765941 585542654 /nfs/dbraw/zinc/54/26/54/585542654.db2.gz WSMRWICYLNVQIM-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000768765941 585542655 /nfs/dbraw/zinc/54/26/55/585542655.db2.gz WSMRWICYLNVQIM-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768765941 585542656 /nfs/dbraw/zinc/54/26/56/585542656.db2.gz WSMRWICYLNVQIM-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO Cn1cc(CO[NH+]=C(N)COC(C)(C)C)nn1 ZINC000768931252 585546110 /nfs/dbraw/zinc/54/61/10/585546110.db2.gz JMNGOPPFNVYHRA-UHFFFAOYSA-N 1 2 241.295 0.629 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769025217 585547680 /nfs/dbraw/zinc/54/76/80/585547680.db2.gz JKYDHFGPVLKOPC-ZYHUDNBSSA-N 1 2 248.330 0.710 20 0 BCADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cn[nH]c1 ZINC000769505367 585558307 /nfs/dbraw/zinc/55/83/07/585558307.db2.gz JAQPGJOTPAUFRZ-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cn[nH]c1 ZINC000769505367 585558308 /nfs/dbraw/zinc/55/83/08/585558308.db2.gz JAQPGJOTPAUFRZ-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000769835377 585564900 /nfs/dbraw/zinc/56/49/00/585564900.db2.gz RCLVOOBNDQBNHT-MRVPVSSYSA-N 1 2 242.348 0.743 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000769835377 585564901 /nfs/dbraw/zinc/56/49/01/585564901.db2.gz RCLVOOBNDQBNHT-MRVPVSSYSA-N 1 2 242.348 0.743 20 0 BCADLO CN(C)c1noc(CCCn2cc[nH+]c2)n1 ZINC000769866212 585565576 /nfs/dbraw/zinc/56/55/76/585565576.db2.gz ORYOTFHBIDKGCV-UHFFFAOYSA-N 1 2 221.264 0.965 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000769903649 585566047 /nfs/dbraw/zinc/56/60/47/585566047.db2.gz NVUCUYZTTPBODV-HTQZYQBOSA-N 1 2 240.130 0.873 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000769903649 585566048 /nfs/dbraw/zinc/56/60/48/585566048.db2.gz NVUCUYZTTPBODV-HTQZYQBOSA-N 1 2 240.130 0.873 20 0 BCADLO CCOC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770413821 585573695 /nfs/dbraw/zinc/57/36/95/585573695.db2.gz WFANDFNNHLARET-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H](O)C1 ZINC000770401820 585573727 /nfs/dbraw/zinc/57/37/27/585573727.db2.gz XJEMIFJDWUAASF-SNVBAGLBSA-N 1 2 245.282 0.931 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000770556239 585576407 /nfs/dbraw/zinc/57/64/07/585576407.db2.gz KIMJOPQGVIKOCV-LLVKDONJSA-N 1 2 226.276 0.833 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CCS(C)(=O)=O)CCN1C ZINC000771459908 585594938 /nfs/dbraw/zinc/59/49/38/585594938.db2.gz MWHZQBWAZPQJEP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CCS(C)(=O)=O)CCN1C ZINC000771459908 585594939 /nfs/dbraw/zinc/59/49/39/585594939.db2.gz MWHZQBWAZPQJEP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)N(CCS(C)(=O)=O)CC[N@H+]1C ZINC000771459908 585594940 /nfs/dbraw/zinc/59/49/40/585594940.db2.gz MWHZQBWAZPQJEP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)N(CCS(C)(=O)=O)CC[N@@H+]1C ZINC000771459908 585594941 /nfs/dbraw/zinc/59/49/41/585594941.db2.gz MWHZQBWAZPQJEP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO COc1cc[nH+]cc1COC(=O)[C@H](O)C1CC1 ZINC000805448463 585599256 /nfs/dbraw/zinc/59/92/56/585599256.db2.gz NWUOTTCFXRPCNY-LLVKDONJSA-N 1 2 237.255 0.904 20 0 BCADLO COC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000771763563 585599889 /nfs/dbraw/zinc/59/98/89/585599889.db2.gz IXBQTRWVRUGXAX-YUMQZZPRSA-N 1 2 202.254 0.062 20 0 BCADLO COC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000771763563 585599890 /nfs/dbraw/zinc/59/98/90/585599890.db2.gz IXBQTRWVRUGXAX-YUMQZZPRSA-N 1 2 202.254 0.062 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000771763134 585600010 /nfs/dbraw/zinc/60/00/10/585600010.db2.gz BLACYGJOTAAHOX-VIFPVBQESA-N 1 2 223.324 0.503 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000771763134 585600011 /nfs/dbraw/zinc/60/00/11/585600011.db2.gz BLACYGJOTAAHOX-VIFPVBQESA-N 1 2 223.324 0.503 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cnccn1 ZINC000771863060 585603095 /nfs/dbraw/zinc/60/30/95/585603095.db2.gz AHEJGXIMECCGBT-UHFFFAOYSA-N 1 2 218.216 0.530 20 0 BCADLO Cc1cnn(CC(=O)OCCn2cc[nH+]c2)c1 ZINC000771924303 585604737 /nfs/dbraw/zinc/60/47/37/585604737.db2.gz ACPJYEXESLVRBJ-UHFFFAOYSA-N 1 2 234.259 0.631 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000771973748 585605700 /nfs/dbraw/zinc/60/57/00/585605700.db2.gz MZLWJTZSLFQYDO-ZJUUUORDSA-N 1 2 224.260 0.587 20 0 BCADLO CCC[C@H](O)CC(=O)OCCn1cc[nH+]c1 ZINC000771971338 585605773 /nfs/dbraw/zinc/60/57/73/585605773.db2.gz WNQQPRZUIUYBKD-JTQLQIEISA-N 1 2 226.276 0.977 20 0 BCADLO NC(=O)c1c[nH]c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771991350 585606038 /nfs/dbraw/zinc/60/60/38/585606038.db2.gz COEWTUFWPCVVEX-UHFFFAOYSA-N 1 2 248.242 0.167 20 0 BCADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CCCO1 ZINC000771994705 585606330 /nfs/dbraw/zinc/60/63/30/585606330.db2.gz PVLMZVSLIVFUDS-NSHDSACASA-N 1 2 224.260 0.995 20 0 BCADLO Cc1[nH+]ccn1CCOC(=O)CCc1nc[nH]n1 ZINC000771999693 585606593 /nfs/dbraw/zinc/60/65/93/585606593.db2.gz FZXNWVPMBNPZTM-UHFFFAOYSA-N 1 2 249.274 0.486 20 0 BCADLO CC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772046632 585607443 /nfs/dbraw/zinc/60/74/43/585607443.db2.gz KUDIVZHGBBCJLD-VHSXEESVSA-N 1 2 245.344 0.944 20 0 BCADLO CC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772046632 585607444 /nfs/dbraw/zinc/60/74/44/585607444.db2.gz KUDIVZHGBBCJLD-VHSXEESVSA-N 1 2 245.344 0.944 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772056472 585607706 /nfs/dbraw/zinc/60/77/06/585607706.db2.gz XVJNKIFCENNPIM-UWVGGRQHSA-N 1 2 224.260 0.851 20 0 BCADLO Cc1ccc(COC(=O)[C@H]2CNC(=O)N2)c(C)[nH+]1 ZINC000772114962 585608780 /nfs/dbraw/zinc/60/87/80/585608780.db2.gz NDIAHNHRWCCMOA-SNVBAGLBSA-N 1 2 249.270 0.423 20 0 BCADLO CON(C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000772580058 585618382 /nfs/dbraw/zinc/61/83/82/585618382.db2.gz VDSSNLTVUUKYMT-UHFFFAOYSA-N 1 2 240.311 0.151 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccon2)C1 ZINC000805469830 585621906 /nfs/dbraw/zinc/62/19/06/585621906.db2.gz JJPBGFSUGOEYCG-JTQLQIEISA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccon2)C1 ZINC000805469830 585621907 /nfs/dbraw/zinc/62/19/07/585621907.db2.gz JJPBGFSUGOEYCG-JTQLQIEISA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)C2CC2)C1 ZINC000805470929 585623414 /nfs/dbraw/zinc/62/34/14/585623414.db2.gz ZLPZHUMHRSZBHE-LLVKDONJSA-N 1 2 241.287 0.229 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)C2CC2)C1 ZINC000805470929 585623415 /nfs/dbraw/zinc/62/34/15/585623415.db2.gz ZLPZHUMHRSZBHE-LLVKDONJSA-N 1 2 241.287 0.229 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)CCOC)C1 ZINC000805471595 585624066 /nfs/dbraw/zinc/62/40/66/585624066.db2.gz ORSFDHKDDWVMBD-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)CCOC)C1 ZINC000805471595 585624067 /nfs/dbraw/zinc/62/40/67/585624067.db2.gz ORSFDHKDDWVMBD-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772814595 585624790 /nfs/dbraw/zinc/62/47/90/585624790.db2.gz RWHPEMOCTTUHSC-MRVPVSSYSA-N 1 2 249.314 0.998 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772814595 585624791 /nfs/dbraw/zinc/62/47/91/585624791.db2.gz RWHPEMOCTTUHSC-MRVPVSSYSA-N 1 2 249.314 0.998 20 0 BCADLO CCCC(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805474327 585626951 /nfs/dbraw/zinc/62/69/51/585626951.db2.gz AIJNLLCJJCXFLK-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCCC(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805474327 585626952 /nfs/dbraw/zinc/62/69/52/585626952.db2.gz AIJNLLCJJCXFLK-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCc1nnc(CO[NH+]=C(N)[C@H](C)OC)o1 ZINC000772899052 585626963 /nfs/dbraw/zinc/62/69/63/585626963.db2.gz SBVSIDKHDWCCJM-LURJTMIESA-N 1 2 228.252 0.665 20 0 BCADLO C/C=C\COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805474954 585627579 /nfs/dbraw/zinc/62/75/79/585627579.db2.gz VOUYMDOHEGEOOL-TZGMSPROSA-N 1 2 213.277 0.826 20 0 BCADLO C/C=C\COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805474954 585627580 /nfs/dbraw/zinc/62/75/80/585627580.db2.gz VOUYMDOHEGEOOL-TZGMSPROSA-N 1 2 213.277 0.826 20 0 BCADLO O=C(NCCOCCO)c1cccc2[nH+]ccn21 ZINC000773277746 585634642 /nfs/dbraw/zinc/63/46/42/585634642.db2.gz AXZKMTQUEVRKGH-UHFFFAOYSA-N 1 2 249.270 0.073 20 0 BCADLO CSCC(=O)NOC1CC[NH+](C)CC1 ZINC000773540279 585639979 /nfs/dbraw/zinc/63/99/79/585639979.db2.gz IBGPRMGZRLKBEG-UHFFFAOYSA-N 1 2 218.322 0.491 20 0 BCADLO C[NH+]1CCC(ONC(=O)C2=COCCO2)CC1 ZINC000773543017 585640253 /nfs/dbraw/zinc/64/02/53/585640253.db2.gz RWGRIZAJHZUQTK-UHFFFAOYSA-N 1 2 242.275 0.017 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cn(C)nn1)C(C)C ZINC000859248212 589024043 /nfs/dbraw/zinc/02/40/43/589024043.db2.gz BEIFBMJRCWZTSL-JTQLQIEISA-N 1 2 240.307 0.145 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773895231 585646155 /nfs/dbraw/zinc/64/61/55/585646155.db2.gz HEXCERKHRBVNCN-NSHDSACASA-N 1 2 242.363 0.944 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cn(C)nn1)C(C)C ZINC000859248213 589024137 /nfs/dbraw/zinc/02/41/37/589024137.db2.gz BEIFBMJRCWZTSL-SNVBAGLBSA-N 1 2 240.307 0.145 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000774855982 585667579 /nfs/dbraw/zinc/66/75/79/585667579.db2.gz CSPOSCQOSCOIBO-UHFFFAOYSA-N 1 2 220.276 0.306 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000774855982 585667580 /nfs/dbraw/zinc/66/75/80/585667580.db2.gz CSPOSCQOSCOIBO-UHFFFAOYSA-N 1 2 220.276 0.306 20 0 BCADLO Cc1n[nH]nc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000805545877 585678689 /nfs/dbraw/zinc/67/86/89/585678689.db2.gz ATLBRSBUVBCOGF-UHFFFAOYSA-N 1 2 233.231 0.447 20 0 BCADLO OCC[C@@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000775681137 585683173 /nfs/dbraw/zinc/68/31/73/585683173.db2.gz AZXSUHRRQRGNCI-LLVKDONJSA-N 1 2 249.314 0.942 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000776357281 585696351 /nfs/dbraw/zinc/69/63/51/585696351.db2.gz LTHPJJFCBQBLRT-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1cccc1C[N@H+](C)Cn1cnnc1 ZINC000776765224 585705151 /nfs/dbraw/zinc/70/51/51/585705151.db2.gz YJQMTWDEUIGVRS-UHFFFAOYSA-N 1 2 205.265 0.706 20 0 BCADLO Cn1cccc1C[N@@H+](C)Cn1cnnc1 ZINC000776765224 585705152 /nfs/dbraw/zinc/70/51/52/585705152.db2.gz YJQMTWDEUIGVRS-UHFFFAOYSA-N 1 2 205.265 0.706 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776774074 585705173 /nfs/dbraw/zinc/70/51/73/585705173.db2.gz YVMIEXINONNDHV-SNVBAGLBSA-N 1 2 208.265 0.346 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776774074 585705174 /nfs/dbraw/zinc/70/51/74/585705174.db2.gz YVMIEXINONNDHV-SNVBAGLBSA-N 1 2 208.265 0.346 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000776773691 585705273 /nfs/dbraw/zinc/70/52/73/585705273.db2.gz UYOCPKCVWLIZHU-PWSUYJOCSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000776773691 585705274 /nfs/dbraw/zinc/70/52/74/585705274.db2.gz UYOCPKCVWLIZHU-PWSUYJOCSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC1OCCO1 ZINC000776857818 585706160 /nfs/dbraw/zinc/70/61/60/585706160.db2.gz NKUHUDFCTNPOIT-VIFPVBQESA-N 1 2 244.335 0.594 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1OCCO1 ZINC000776857818 585706161 /nfs/dbraw/zinc/70/61/61/585706161.db2.gz NKUHUDFCTNPOIT-VIFPVBQESA-N 1 2 244.335 0.594 20 0 BCADLO C[C@@H](CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC000777013093 585707249 /nfs/dbraw/zinc/70/72/49/585707249.db2.gz STTZTUHEQHXKJR-QMMMGPOBSA-N 1 2 246.270 0.328 20 0 BCADLO CC1(C)C[N@H+](CC2OCCO2)CCO1 ZINC000777534963 585714287 /nfs/dbraw/zinc/71/42/87/585714287.db2.gz GPNJLAFHUFPCER-UHFFFAOYSA-N 1 2 201.266 0.470 20 0 BCADLO CC1(C)C[N@@H+](CC2OCCO2)CCO1 ZINC000777534963 585714288 /nfs/dbraw/zinc/71/42/88/585714288.db2.gz GPNJLAFHUFPCER-UHFFFAOYSA-N 1 2 201.266 0.470 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000777552371 585714484 /nfs/dbraw/zinc/71/44/84/585714484.db2.gz ADKAPJAGCFVFIB-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CC1OCCO1 ZINC000777552371 585714485 /nfs/dbraw/zinc/71/44/85/585714485.db2.gz ADKAPJAGCFVFIB-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO C[N@H+](C[C@@H](O)C(F)(F)F)CC1OCCO1 ZINC000777725570 585719280 /nfs/dbraw/zinc/71/92/80/585719280.db2.gz USAVVLBESZABEO-ZCFIWIBFSA-N 1 2 229.198 0.214 20 0 BCADLO C[N@@H+](C[C@@H](O)C(F)(F)F)CC1OCCO1 ZINC000777725570 585719281 /nfs/dbraw/zinc/71/92/81/585719281.db2.gz USAVVLBESZABEO-ZCFIWIBFSA-N 1 2 229.198 0.214 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC=CO1 ZINC000777859325 585721680 /nfs/dbraw/zinc/72/16/80/585721680.db2.gz BRWRSKVQRQXWPW-QMMMGPOBSA-N 1 2 207.233 0.719 20 0 BCADLO Cc1[nH+]ccn1CCCOC(=O)c1cn[nH]n1 ZINC000805603087 585727667 /nfs/dbraw/zinc/72/76/67/585727667.db2.gz GLBGBJWBFNUKDA-UHFFFAOYSA-N 1 2 235.247 0.557 20 0 BCADLO CON(C)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778226938 585728337 /nfs/dbraw/zinc/72/83/37/585728337.db2.gz UTJONXWUZLCESW-VIFPVBQESA-N 1 2 238.291 0.566 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778240086 585728771 /nfs/dbraw/zinc/72/87/71/585728771.db2.gz XBOLWRZPZQJVPL-DTWKUNHWSA-N 1 2 218.272 0.686 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778240086 585728772 /nfs/dbraw/zinc/72/87/72/585728772.db2.gz XBOLWRZPZQJVPL-DTWKUNHWSA-N 1 2 218.272 0.686 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778240087 585728959 /nfs/dbraw/zinc/72/89/59/585728959.db2.gz XBOLWRZPZQJVPL-IUCAKERBSA-N 1 2 218.272 0.686 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778240087 585728960 /nfs/dbraw/zinc/72/89/60/585728960.db2.gz XBOLWRZPZQJVPL-IUCAKERBSA-N 1 2 218.272 0.686 20 0 BCADLO CCN1CC[N@H+](CC2OCCO2)C(C)(C)C1=O ZINC000778241323 585729141 /nfs/dbraw/zinc/72/91/41/585729141.db2.gz NBNSQHOAGATUHK-UHFFFAOYSA-N 1 2 242.319 0.302 20 0 BCADLO CCN1CC[N@@H+](CC2OCCO2)C(C)(C)C1=O ZINC000778241323 585729142 /nfs/dbraw/zinc/72/91/42/585729142.db2.gz NBNSQHOAGATUHK-UHFFFAOYSA-N 1 2 242.319 0.302 20 0 BCADLO COC(=O)c1cn(C[N@H+]2CC=CCC2)nn1 ZINC000778577271 585737389 /nfs/dbraw/zinc/73/73/89/585737389.db2.gz PZCWNULJQLSGSW-UHFFFAOYSA-N 1 2 222.248 0.284 20 0 BCADLO COC(=O)c1cn(C[N@@H+]2CC=CCC2)nn1 ZINC000778577271 585737390 /nfs/dbraw/zinc/73/73/90/585737390.db2.gz PZCWNULJQLSGSW-UHFFFAOYSA-N 1 2 222.248 0.284 20 0 BCADLO C[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577727 585737811 /nfs/dbraw/zinc/73/78/11/585737811.db2.gz XESSXYZOBGMTLZ-ZDUSSCGKSA-N 1 2 249.314 0.926 20 0 BCADLO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577727 585737812 /nfs/dbraw/zinc/73/78/12/585737812.db2.gz XESSXYZOBGMTLZ-ZDUSSCGKSA-N 1 2 249.314 0.926 20 0 BCADLO C[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577725 585737859 /nfs/dbraw/zinc/73/78/59/585737859.db2.gz XESSXYZOBGMTLZ-CYBMUJFWSA-N 1 2 249.314 0.926 20 0 BCADLO C[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577725 585737860 /nfs/dbraw/zinc/73/78/60/585737860.db2.gz XESSXYZOBGMTLZ-CYBMUJFWSA-N 1 2 249.314 0.926 20 0 BCADLO COCC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805615979 585740796 /nfs/dbraw/zinc/74/07/96/585740796.db2.gz MZCMKZQOEJMTOJ-UHFFFAOYSA-N 1 2 243.303 0.620 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=COCC1 ZINC000779096155 585745170 /nfs/dbraw/zinc/74/51/70/585745170.db2.gz OPIWLRSNHLNEEW-SNVBAGLBSA-N 1 2 233.271 0.618 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@]12CCOC2=O ZINC000779257922 585748655 /nfs/dbraw/zinc/74/86/55/585748655.db2.gz PLZKWRBCSHVVQO-GFCCVEGCSA-N 1 2 249.270 0.191 20 0 BCADLO CC[C@H](CO)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000779722996 585759696 /nfs/dbraw/zinc/75/96/96/585759696.db2.gz AVNKHGDVUBKPCB-SNVBAGLBSA-N 1 2 247.298 0.969 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccnc(F)c2)C1 ZINC000859255928 589025474 /nfs/dbraw/zinc/02/54/74/589025474.db2.gz SLRPBAONUCRRBZ-UHFFFAOYSA-N 1 2 223.251 0.399 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000779814231 585766690 /nfs/dbraw/zinc/76/66/90/585766690.db2.gz XRAWVHHVANMOFU-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000779814231 585766691 /nfs/dbraw/zinc/76/66/91/585766691.db2.gz XRAWVHHVANMOFU-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](CO)C(=O)NCCc1c[nH+]cn1C ZINC000779835904 585768245 /nfs/dbraw/zinc/76/82/45/585768245.db2.gz VCQYSWREBFGYPO-SECBINFHSA-N 1 2 225.292 0.097 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780120749 585772558 /nfs/dbraw/zinc/77/25/58/585772558.db2.gz HKRFXCOCTARNQN-GMTAPVOTSA-N 1 2 236.271 0.851 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC=CO1 ZINC000781487831 585797571 /nfs/dbraw/zinc/79/75/71/585797571.db2.gz NLUSMSZVSVHGLX-NSHDSACASA-N 1 2 235.287 0.772 20 0 BCADLO Cn1c[nH+]cc1COC(=O)/C=C/c1ccncn1 ZINC000781497913 585797634 /nfs/dbraw/zinc/79/76/34/585797634.db2.gz QTBLIXFRFDAMFL-NSCUHMNNSA-N 1 2 244.254 0.967 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)O ZINC000782264559 585813154 /nfs/dbraw/zinc/81/31/54/585813154.db2.gz DQEXPYGOGOFOOR-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC000782479488 585818678 /nfs/dbraw/zinc/81/86/78/585818678.db2.gz VQYWSPDMBCOVGU-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC000782479488 585818679 /nfs/dbraw/zinc/81/86/79/585818679.db2.gz VQYWSPDMBCOVGU-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cccnc1 ZINC000782584641 585820276 /nfs/dbraw/zinc/82/02/76/585820276.db2.gz KKTQLEUZGNDSMH-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cccnc1 ZINC000782584641 585820277 /nfs/dbraw/zinc/82/02/77/585820277.db2.gz KKTQLEUZGNDSMH-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO COC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583370 585820403 /nfs/dbraw/zinc/82/04/03/585820403.db2.gz IIPNXVSUCSWXNS-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583370 585820404 /nfs/dbraw/zinc/82/04/04/585820404.db2.gz IIPNXVSUCSWXNS-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C)C[C@H]1C ZINC000782583343 585820533 /nfs/dbraw/zinc/82/05/33/585820533.db2.gz DICPOBNNWIMODN-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO COC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583371 585820720 /nfs/dbraw/zinc/82/07/20/585820720.db2.gz IIPNXVSUCSWXNS-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583371 585820721 /nfs/dbraw/zinc/82/07/21/585820721.db2.gz IIPNXVSUCSWXNS-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO Cc1c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cnn1C ZINC000782597014 585821355 /nfs/dbraw/zinc/82/13/55/585821355.db2.gz UOHYDBRMNNEOEJ-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cnn1C ZINC000782597014 585821356 /nfs/dbraw/zinc/82/13/56/585821356.db2.gz UOHYDBRMNNEOEJ-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000782610630 585821863 /nfs/dbraw/zinc/82/18/63/585821863.db2.gz YNORHGMTTMUAHI-SCZZXKLOSA-N 1 2 210.302 0.957 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000782610630 585821864 /nfs/dbraw/zinc/82/18/64/585821864.db2.gz YNORHGMTTMUAHI-SCZZXKLOSA-N 1 2 210.302 0.957 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000782609923 585821935 /nfs/dbraw/zinc/82/19/35/585821935.db2.gz TURQFEIGHCIFOB-KCJUWKMLSA-N 1 2 239.344 0.915 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000782609923 585821936 /nfs/dbraw/zinc/82/19/36/585821936.db2.gz TURQFEIGHCIFOB-KCJUWKMLSA-N 1 2 239.344 0.915 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000782609922 585821977 /nfs/dbraw/zinc/82/19/77/585821977.db2.gz TURQFEIGHCIFOB-GZMMTYOYSA-N 1 2 239.344 0.915 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000782609922 585821978 /nfs/dbraw/zinc/82/19/78/585821978.db2.gz TURQFEIGHCIFOB-GZMMTYOYSA-N 1 2 239.344 0.915 20 0 BCADLO Cn1ccc(CC(=O)OCc2c[nH+]cn2C)n1 ZINC000782609538 585822047 /nfs/dbraw/zinc/82/20/47/585822047.db2.gz VJSBSUQDDHYWRZ-UHFFFAOYSA-N 1 2 234.259 0.440 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782628436 585823342 /nfs/dbraw/zinc/82/33/42/585823342.db2.gz NECAWEUCGVMSLG-IVZWLZJFSA-N 1 2 230.308 0.504 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782628436 585823343 /nfs/dbraw/zinc/82/33/43/585823343.db2.gz NECAWEUCGVMSLG-IVZWLZJFSA-N 1 2 230.308 0.504 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631915 585823446 /nfs/dbraw/zinc/82/34/46/585823446.db2.gz IDFFNVQVSGUUDY-JBLDHEPKSA-N 1 2 227.304 0.642 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631915 585823447 /nfs/dbraw/zinc/82/34/47/585823447.db2.gz IDFFNVQVSGUUDY-JBLDHEPKSA-N 1 2 227.304 0.642 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)C1(O)CCC1 ZINC000783092115 585827713 /nfs/dbraw/zinc/82/77/13/585827713.db2.gz BHPOQZVJSBNNEN-UHFFFAOYSA-N 1 2 224.260 0.731 20 0 BCADLO C=CC(=O)N(C)CC(=O)Nc1cc[nH+]cc1C ZINC000859268937 589025943 /nfs/dbraw/zinc/02/59/43/589025943.db2.gz QSCPIHIYAQNOEP-UHFFFAOYSA-N 1 2 233.271 0.395 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1cnns1)C2 ZINC000859269660 589025955 /nfs/dbraw/zinc/02/59/55/589025955.db2.gz FMAZNBJDYDUJPR-IONNQARKSA-N 1 2 211.290 0.352 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cnns1)C2 ZINC000859269660 589025957 /nfs/dbraw/zinc/02/59/57/589025957.db2.gz FMAZNBJDYDUJPR-IONNQARKSA-N 1 2 211.290 0.352 20 0 BCADLO C[N@H+](CCOC1CCC1)CCS(C)(=O)=O ZINC000805740769 585828501 /nfs/dbraw/zinc/82/85/01/585828501.db2.gz PCKNUZIPXXGTGQ-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO C[N@@H+](CCOC1CCC1)CCS(C)(=O)=O ZINC000805740769 585828502 /nfs/dbraw/zinc/82/85/02/585828502.db2.gz PCKNUZIPXXGTGQ-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC1=CCCOC1 ZINC000783733484 585841366 /nfs/dbraw/zinc/84/13/66/585841366.db2.gz LXXHEYPAQRQFLU-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC1=CCCOC1 ZINC000783733484 585841367 /nfs/dbraw/zinc/84/13/67/585841367.db2.gz LXXHEYPAQRQFLU-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOC1CCC1 ZINC000805752142 585843353 /nfs/dbraw/zinc/84/33/53/585843353.db2.gz ZCGBYTQQAUPATR-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOC1CCC1 ZINC000805752142 585843354 /nfs/dbraw/zinc/84/33/54/585843354.db2.gz ZCGBYTQQAUPATR-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)N2C)c(C)c[nH+]1 ZINC000784099090 585849469 /nfs/dbraw/zinc/84/94/69/585849469.db2.gz XNOWPIOAWUSWCW-NSHDSACASA-N 1 2 247.298 0.680 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)CO1 ZINC000784523078 585862253 /nfs/dbraw/zinc/86/22/53/585862253.db2.gz FMVZFICHZNMVLE-RKDXNWHRSA-N 1 2 224.260 0.888 20 0 BCADLO C[C@H](NC(=O)OCC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000785129832 585870951 /nfs/dbraw/zinc/87/09/51/585870951.db2.gz IDEDMPMGPCUJEV-GXSJLCMTSA-N 1 2 242.319 0.842 20 0 BCADLO C[C@H](NC(=O)OCC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000785129832 585870952 /nfs/dbraw/zinc/87/09/52/585870952.db2.gz IDEDMPMGPCUJEV-GXSJLCMTSA-N 1 2 242.319 0.842 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCC1(O)CC1 ZINC000785517060 585874750 /nfs/dbraw/zinc/87/47/50/585874750.db2.gz HRVNOHJHJOOHGF-ZETCQYMHSA-N 1 2 202.254 0.435 20 0 BCADLO CO[C@H]1CC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785505610 585874804 /nfs/dbraw/zinc/87/48/04/585874804.db2.gz HNFZOLRMWCBZRE-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO CO[C@H]1CC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785505610 585874805 /nfs/dbraw/zinc/87/48/05/585874805.db2.gz HNFZOLRMWCBZRE-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO C[C@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000786738191 585896858 /nfs/dbraw/zinc/89/68/58/585896858.db2.gz JURHQPHQVFXKDX-QMMMGPOBSA-N 1 2 232.243 0.587 20 0 BCADLO COC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000786956439 585899154 /nfs/dbraw/zinc/89/91/54/585899154.db2.gz DVDSXNFXFUNSJG-VIFPVBQESA-N 1 2 235.287 0.303 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787206108 585903225 /nfs/dbraw/zinc/90/32/25/585903225.db2.gz WYPGJOCSAOKQAF-MNOVXSKESA-N 1 2 249.314 0.333 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787350153 585907441 /nfs/dbraw/zinc/90/74/41/585907441.db2.gz XNEVVUKBZWPNEY-UHFFFAOYSA-N 1 2 222.235 0.042 20 0 BCADLO Cn1cc(C(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000787592916 585912653 /nfs/dbraw/zinc/91/26/53/585912653.db2.gz VUAXGMTZWACXJS-UHFFFAOYSA-N 1 2 232.243 0.754 20 0 BCADLO CC(C)(O)CONC(=O)c1cccc2[nH+]ccn21 ZINC000788219791 585919752 /nfs/dbraw/zinc/91/97/52/585919752.db2.gz HIJRKQWJHZPYTA-UHFFFAOYSA-N 1 2 249.270 0.767 20 0 BCADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1ncc[nH]1 ZINC000788454979 585924433 /nfs/dbraw/zinc/92/44/33/585924433.db2.gz LIDBBZXVIXTMBP-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ncc[nH]1 ZINC000788454979 585924434 /nfs/dbraw/zinc/92/44/34/585924434.db2.gz LIDBBZXVIXTMBP-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO COC[C@@H]([NH2+]Cc1nonc1C)[C@H]1CCCO1 ZINC000789382145 585941964 /nfs/dbraw/zinc/94/19/64/585941964.db2.gz JTWKYJUTNZAHCZ-GHMZBOCLSA-N 1 2 241.291 0.662 20 0 BCADLO NC(=[NH+]OCCOCC(F)F)[C@@H]1CCCO1 ZINC000789609382 585946272 /nfs/dbraw/zinc/94/62/72/585946272.db2.gz NEURGFHHKDNPAM-ZETCQYMHSA-N 1 2 238.234 0.946 20 0 BCADLO NC(=[NH+]OC[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000789607896 585946284 /nfs/dbraw/zinc/94/62/84/585946284.db2.gz JJQWJJHTWQSKDT-BDAKNGLRSA-N 1 2 214.265 0.700 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789608891 585946435 /nfs/dbraw/zinc/94/64/35/585946435.db2.gz FZAODZKYJZUQRR-YUMQZZPRSA-N 1 2 202.254 0.699 20 0 BCADLO CCc1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789609825 585946544 /nfs/dbraw/zinc/94/65/44/585946544.db2.gz HMWXRYYPDMYLAR-SSDOTTSWSA-N 1 2 240.263 0.809 20 0 BCADLO NC(=[NH+]OCc1ccon1)[C@H]1CCCO1 ZINC000789626041 585947316 /nfs/dbraw/zinc/94/73/16/585947316.db2.gz CUEYYEOXFQQIAG-MRVPVSSYSA-N 1 2 211.221 0.852 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000790013039 585956361 /nfs/dbraw/zinc/95/63/61/585956361.db2.gz UMKVHRNYPXZUND-BDAKNGLRSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000790013039 585956362 /nfs/dbraw/zinc/95/63/62/585956362.db2.gz UMKVHRNYPXZUND-BDAKNGLRSA-N 1 2 237.307 0.278 20 0 BCADLO COC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790129644 585958206 /nfs/dbraw/zinc/95/82/06/585958206.db2.gz YHNPGIIWASVSJE-VIFPVBQESA-N 1 2 216.281 0.405 20 0 BCADLO C/C=C/C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790130964 585958527 /nfs/dbraw/zinc/95/85/27/585958527.db2.gz CBUFBBQDSPKSBQ-ZWNMCFTASA-N 1 2 226.320 0.742 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](CC1OCCO1)CCO2 ZINC000791587622 585984876 /nfs/dbraw/zinc/98/48/76/585984876.db2.gz ICDMOMLGQDEXCE-ZYHUDNBSSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](CC1OCCO1)CCO2 ZINC000791587622 585984877 /nfs/dbraw/zinc/98/48/77/585984877.db2.gz ICDMOMLGQDEXCE-ZYHUDNBSSA-N 1 2 243.303 0.239 20 0 BCADLO Cc1c(C(=O)OCc2cc[nH+]c(N)c2)nnn1C ZINC000791945316 585992183 /nfs/dbraw/zinc/99/21/83/585992183.db2.gz RSIRELADMBSXLQ-UHFFFAOYSA-N 1 2 247.258 0.458 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(C)ccn1 ZINC000792209493 585998152 /nfs/dbraw/zinc/99/81/52/585998152.db2.gz WKHSOJSXLMDJQR-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)ccn1 ZINC000792209493 585998153 /nfs/dbraw/zinc/99/81/53/585998153.db2.gz WKHSOJSXLMDJQR-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000792297573 585999326 /nfs/dbraw/zinc/99/93/26/585999326.db2.gz QEOVHWZTFRHWNJ-VDDIYKPWSA-N 1 2 249.318 0.383 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000792297573 585999327 /nfs/dbraw/zinc/99/93/27/585999327.db2.gz QEOVHWZTFRHWNJ-VDDIYKPWSA-N 1 2 249.318 0.383 20 0 BCADLO COC(C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1)OC ZINC000792389627 586000299 /nfs/dbraw/zinc/00/02/99/586000299.db2.gz UZWGMYLIQSTVIJ-ZZCKJEPUSA-N 1 2 235.349 0.447 20 0 BCADLO COC(C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1)OC ZINC000792389627 586000300 /nfs/dbraw/zinc/00/03/00/586000300.db2.gz UZWGMYLIQSTVIJ-ZZCKJEPUSA-N 1 2 235.349 0.447 20 0 BCADLO C=CC(=O)N(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000859278741 589027288 /nfs/dbraw/zinc/02/72/88/589027288.db2.gz VCCKJPJUGXSUCX-UHFFFAOYSA-N 1 2 236.275 0.013 20 0 BCADLO C[C@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792873394 586005980 /nfs/dbraw/zinc/00/59/80/586005980.db2.gz AFULASYNDOBIGW-VIFPVBQESA-N 1 2 225.263 0.710 20 0 BCADLO C[C@]12CC[N@H+](CC(N)=O)C[C@H]1C2(Cl)Cl ZINC000792915628 586006794 /nfs/dbraw/zinc/00/67/94/586006794.db2.gz YWVOEJAGMFKJIY-SVRRBLITSA-N 1 2 237.130 0.987 20 0 BCADLO C[C@]12CC[N@@H+](CC(N)=O)C[C@H]1C2(Cl)Cl ZINC000792915628 586006795 /nfs/dbraw/zinc/00/67/95/586006795.db2.gz YWVOEJAGMFKJIY-SVRRBLITSA-N 1 2 237.130 0.987 20 0 BCADLO Cc1ccnn1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000859278124 589027426 /nfs/dbraw/zinc/02/74/26/589027426.db2.gz KTXPJLIVFHTTJV-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO CC(C)OCC(=O)OCCc1c[nH+]cn1C ZINC000793237810 586014638 /nfs/dbraw/zinc/01/46/38/586014638.db2.gz IJSBHONOPANMOT-UHFFFAOYSA-N 1 2 226.276 0.931 20 0 BCADLO CCOCCC(=O)OCCc1c[nH+]cn1C ZINC000793249363 586015166 /nfs/dbraw/zinc/01/51/66/586015166.db2.gz HQKFWEXKWOIMIN-UHFFFAOYSA-N 1 2 226.276 0.932 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)OCCc2c[nH+]cn2C)CO1 ZINC000793254824 586015408 /nfs/dbraw/zinc/01/54/08/586015408.db2.gz WYFBRIYUXMWQTO-NXEZZACHSA-N 1 2 238.287 0.931 20 0 BCADLO CO[C@H](C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793259203 586015416 /nfs/dbraw/zinc/01/54/16/586015416.db2.gz RAPLQZOZZVWTGS-NSHDSACASA-N 1 2 238.287 0.931 20 0 BCADLO C[C@@H]1C[C@H](C(=O)OCCc2c[nH+]cn2C)CO1 ZINC000793254847 586015429 /nfs/dbraw/zinc/01/54/29/586015429.db2.gz WYFBRIYUXMWQTO-ZJUUUORDSA-N 1 2 238.287 0.931 20 0 BCADLO Cn1ncc(C(=O)O[C@H]2CC[N@H+](CCF)C2)n1 ZINC000793306486 586016641 /nfs/dbraw/zinc/01/66/41/586016641.db2.gz UFBLPFDKAQCJJB-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1ncc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)n1 ZINC000793306486 586016642 /nfs/dbraw/zinc/01/66/42/586016642.db2.gz UFBLPFDKAQCJJB-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO O=C(C[C@@H]1CCCOC1)NCc1c[nH+]c[nH]1 ZINC000793537801 586022217 /nfs/dbraw/zinc/02/22/17/586022217.db2.gz NTINWCIGXNGZFD-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO O=C(C[C@@H]1CCCOC1)NCc1c[nH]c[nH+]1 ZINC000793537801 586022218 /nfs/dbraw/zinc/02/22/18/586022218.db2.gz NTINWCIGXNGZFD-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO CCOCCONC(=O)CCc1c[nH+]cn1C ZINC000793845507 586027676 /nfs/dbraw/zinc/02/76/76/586027676.db2.gz VXAFELOSTCAZTE-UHFFFAOYSA-N 1 2 241.291 0.437 20 0 BCADLO CSCCONC(=O)Cc1c[nH+]cn1C ZINC000794191029 586033698 /nfs/dbraw/zinc/03/36/98/586033698.db2.gz PFXYLZLYXGECIG-UHFFFAOYSA-N 1 2 229.305 0.373 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OCC1OCCO1 ZINC000794721704 586047244 /nfs/dbraw/zinc/04/72/44/586047244.db2.gz FJSXWKPEQAHZJQ-UHFFFAOYSA-N 1 2 232.280 0.673 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000794966340 586058912 /nfs/dbraw/zinc/05/89/12/586058912.db2.gz DQWDNYXZKKFXNL-MBTKJCJQSA-N 1 2 238.312 0.994 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000794966340 586058914 /nfs/dbraw/zinc/05/89/14/586058914.db2.gz DQWDNYXZKKFXNL-MBTKJCJQSA-N 1 2 238.312 0.994 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000794986129 586061712 /nfs/dbraw/zinc/06/17/12/586061712.db2.gz VAIJIJPEUXFVIA-MBTKJCJQSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ncc[nH]3)C[C@@H]21 ZINC000794986129 586061713 /nfs/dbraw/zinc/06/17/13/586061713.db2.gz VAIJIJPEUXFVIA-MBTKJCJQSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ncc[nH]3)C[C@@H]21 ZINC000794986129 586061714 /nfs/dbraw/zinc/06/17/14/586061714.db2.gz VAIJIJPEUXFVIA-MBTKJCJQSA-N 1 2 221.260 0.261 20 0 BCADLO CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795127520 586069328 /nfs/dbraw/zinc/06/93/28/586069328.db2.gz BZVHSWXBJLERSS-NXEZZACHSA-N 1 2 243.376 0.286 20 0 BCADLO CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795127523 586069500 /nfs/dbraw/zinc/06/95/00/586069500.db2.gz BZVHSWXBJLERSS-VHSXEESVSA-N 1 2 243.376 0.286 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1cnn(C)n1 ZINC000795191292 586070572 /nfs/dbraw/zinc/07/05/72/586070572.db2.gz BFHGGXWNVLMLEH-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1cnn(C)n1 ZINC000795191292 586070574 /nfs/dbraw/zinc/07/05/74/586070574.db2.gz BFHGGXWNVLMLEH-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CCCOCC1 ZINC000795413750 586077864 /nfs/dbraw/zinc/07/78/64/586077864.db2.gz KXNOTVWIDZYLND-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CCCOCC1 ZINC000795413750 586077865 /nfs/dbraw/zinc/07/78/65/586077865.db2.gz KXNOTVWIDZYLND-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO CC(C)COC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000859308550 589029813 /nfs/dbraw/zinc/02/98/13/589029813.db2.gz WCUCVOKMYPWUSU-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO COCC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000795629026 586089387 /nfs/dbraw/zinc/08/93/87/586089387.db2.gz DHDANTGACWSYNQ-UWVGGRQHSA-N 1 2 243.303 0.618 20 0 BCADLO CN(CCn1cc[nH+]c1)[C@H]1CC(C)(C)OC1=O ZINC000795677996 586090678 /nfs/dbraw/zinc/09/06/78/586090678.db2.gz ZFVLIKIWIYBYJJ-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO C[N@H+](CCn1ccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795677996 586090679 /nfs/dbraw/zinc/09/06/79/586090679.db2.gz ZFVLIKIWIYBYJJ-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO C[N@@H+](CCn1ccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795677996 586090680 /nfs/dbraw/zinc/09/06/80/586090680.db2.gz ZFVLIKIWIYBYJJ-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000795744996 586091762 /nfs/dbraw/zinc/09/17/62/586091762.db2.gz BSLSQMOXZPPUIJ-SNVBAGLBSA-N 1 2 249.314 0.962 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000795744996 586091763 /nfs/dbraw/zinc/09/17/63/586091763.db2.gz BSLSQMOXZPPUIJ-SNVBAGLBSA-N 1 2 249.314 0.962 20 0 BCADLO CO[C@H](C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000795830181 586092758 /nfs/dbraw/zinc/09/27/58/586092758.db2.gz IUKOBPXBQGKZKI-NSHDSACASA-N 1 2 243.303 0.287 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796080522 586097351 /nfs/dbraw/zinc/09/73/51/586097351.db2.gz OHHDWIFSKAZTTJ-LBPRGKRZSA-N 1 2 243.303 0.241 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796080522 586097352 /nfs/dbraw/zinc/09/73/52/586097352.db2.gz OHHDWIFSKAZTTJ-LBPRGKRZSA-N 1 2 243.303 0.241 20 0 BCADLO CC[C@@H]1C[N@H+](CC(OC)OC)C[C@@H](C)[S@]1=O ZINC000796368735 586101609 /nfs/dbraw/zinc/10/16/09/586101609.db2.gz WQIRXYDWMCCAFZ-XIZWVBILSA-N 1 2 249.376 0.837 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(OC)OC)C[C@@H](C)[S@]1=O ZINC000796368735 586101610 /nfs/dbraw/zinc/10/16/10/586101610.db2.gz WQIRXYDWMCCAFZ-XIZWVBILSA-N 1 2 249.376 0.837 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1c[nH]c[nH+]1 ZINC000796448309 586103334 /nfs/dbraw/zinc/10/33/34/586103334.db2.gz IEDWOLADNGWLTO-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1c[nH+]c[nH]1 ZINC000796448309 586103333 /nfs/dbraw/zinc/10/33/33/586103333.db2.gz IEDWOLADNGWLTO-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1c[nH]cn1 ZINC000796456176 586104168 /nfs/dbraw/zinc/10/41/68/586104168.db2.gz KMNMUPNDHWCCFD-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1c[nH]cn1 ZINC000796456176 586104169 /nfs/dbraw/zinc/10/41/69/586104169.db2.gz KMNMUPNDHWCCFD-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cnc[nH]1 ZINC000796456176 586104170 /nfs/dbraw/zinc/10/41/70/586104170.db2.gz KMNMUPNDHWCCFD-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cnc[nH]1 ZINC000796456176 586104171 /nfs/dbraw/zinc/10/41/71/586104171.db2.gz KMNMUPNDHWCCFD-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO Cc1nonc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796580766 586107354 /nfs/dbraw/zinc/10/73/54/586107354.db2.gz SIKWPXFIBXHLGL-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1nonc1C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796580766 586107355 /nfs/dbraw/zinc/10/73/55/586107355.db2.gz SIKWPXFIBXHLGL-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nnc(C(C)(C)C)o1 ZINC000796596722 586108399 /nfs/dbraw/zinc/10/83/99/586108399.db2.gz XJBDKELFHVDAPV-UHFFFAOYSA-N 1 2 240.307 0.674 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nnc(C(C)(C)C)o1 ZINC000796596722 586108400 /nfs/dbraw/zinc/10/84/00/586108400.db2.gz XJBDKELFHVDAPV-UHFFFAOYSA-N 1 2 240.307 0.674 20 0 BCADLO CC(C)n1cc(C(=O)OCc2c[nH+]cn2C)nn1 ZINC000796941674 586117671 /nfs/dbraw/zinc/11/76/71/586117671.db2.gz CZQMDBAJLAIHGD-UHFFFAOYSA-N 1 2 249.274 0.950 20 0 BCADLO CC(=O)COC(=O)CCCC[NH+]1CCOCC1 ZINC000798193412 586139710 /nfs/dbraw/zinc/13/97/10/586139710.db2.gz ZISGWOVBQOMDPZ-UHFFFAOYSA-N 1 2 243.303 0.621 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799146026 586161427 /nfs/dbraw/zinc/16/14/27/586161427.db2.gz VUJDZMLIFLGKHZ-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799146026 586161430 /nfs/dbraw/zinc/16/14/30/586161430.db2.gz VUJDZMLIFLGKHZ-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859321579 589031702 /nfs/dbraw/zinc/03/17/02/589031702.db2.gz LPUZIJGWXOJGFN-JTQLQIEISA-N 1 2 226.251 0.414 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859321579 589031704 /nfs/dbraw/zinc/03/17/04/589031704.db2.gz LPUZIJGWXOJGFN-JTQLQIEISA-N 1 2 226.251 0.414 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c(=S)[nH]1 ZINC000800691222 586226452 /nfs/dbraw/zinc/22/64/52/586226452.db2.gz KMOUSZKABQFGDR-UHFFFAOYSA-N 1 2 223.261 0.352 20 0 BCADLO COCCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564758 586263510 /nfs/dbraw/zinc/26/35/10/586263510.db2.gz TYLIWGJDUFCLRX-SECBINFHSA-N 1 2 239.262 0.615 20 0 BCADLO COCCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564758 586263513 /nfs/dbraw/zinc/26/35/13/586263513.db2.gz TYLIWGJDUFCLRX-SECBINFHSA-N 1 2 239.262 0.615 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801563907 586263779 /nfs/dbraw/zinc/26/37/79/586263779.db2.gz VBKMVYGYXHFRQA-YUMQZZPRSA-N 1 2 241.303 0.676 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801563907 586263780 /nfs/dbraw/zinc/26/37/80/586263780.db2.gz VBKMVYGYXHFRQA-YUMQZZPRSA-N 1 2 241.303 0.676 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@H](C(F)F)C2)cn1 ZINC000801564945 586263795 /nfs/dbraw/zinc/26/37/95/586263795.db2.gz VCZZQBYFDJGAOR-JTQLQIEISA-N 1 2 245.273 0.929 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@H](C(F)F)C2)cn1 ZINC000801564945 586263796 /nfs/dbraw/zinc/26/37/96/586263796.db2.gz VCZZQBYFDJGAOR-JTQLQIEISA-N 1 2 245.273 0.929 20 0 BCADLO FC(F)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000801567249 586264225 /nfs/dbraw/zinc/26/42/25/586264225.db2.gz SEGDGESKLOMHSM-SSDOTTSWSA-N 1 2 217.219 0.876 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cocn1 ZINC000802229314 586295433 /nfs/dbraw/zinc/29/54/33/586295433.db2.gz ZGPXUQQAEKXNDS-UHFFFAOYSA-N 1 2 207.189 0.728 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802237008 586297528 /nfs/dbraw/zinc/29/75/28/586297528.db2.gz WECXXAQIZLATNQ-GMTAPVOTSA-N 1 2 245.294 0.998 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802237008 586297531 /nfs/dbraw/zinc/29/75/31/586297531.db2.gz WECXXAQIZLATNQ-GMTAPVOTSA-N 1 2 245.294 0.998 20 0 BCADLO CC(=O)CCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802230984 586298077 /nfs/dbraw/zinc/29/80/77/586298077.db2.gz UVHWDWRBNRTDRR-SNVBAGLBSA-N 1 2 231.267 0.943 20 0 BCADLO CC(=O)CCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802230984 586298080 /nfs/dbraw/zinc/29/80/80/586298080.db2.gz UVHWDWRBNRTDRR-SNVBAGLBSA-N 1 2 231.267 0.943 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000839960632 586300884 /nfs/dbraw/zinc/30/08/84/586300884.db2.gz QYFRINCVWFDINN-OUAUKWLOSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000839960632 586300886 /nfs/dbraw/zinc/30/08/86/586300886.db2.gz QYFRINCVWFDINN-OUAUKWLOSA-N 1 2 226.320 0.922 20 0 BCADLO COCC[N@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839976324 586310342 /nfs/dbraw/zinc/31/03/42/586310342.db2.gz WWWAULFAUDCBGQ-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO COCC[N@@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839976324 586310345 /nfs/dbraw/zinc/31/03/45/586310345.db2.gz WWWAULFAUDCBGQ-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@@H](CC)OC)C1 ZINC000802774070 586313234 /nfs/dbraw/zinc/31/32/34/586313234.db2.gz CMJTXCWZLYLUAR-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)c1cncnc1 ZINC000802785343 586314492 /nfs/dbraw/zinc/31/44/92/586314492.db2.gz PRLCDSOSGDMYAH-UHFFFAOYSA-N 1 2 246.270 1.000 20 0 BCADLO O=C(COC(F)F)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802820866 586316397 /nfs/dbraw/zinc/31/63/97/586316397.db2.gz FXZHDBJCAVUCHS-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO O=C(COC(F)F)O[C@H]1CC[N@H+](CCF)C1 ZINC000802820866 586316399 /nfs/dbraw/zinc/31/63/99/586316399.db2.gz FXZHDBJCAVUCHS-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO O=C1[C@H]2CCC[C@H]2CN1C[N@@H+]1CCCOCC1 ZINC000839984879 586326292 /nfs/dbraw/zinc/32/62/92/586326292.db2.gz YRKQNDBONGAUIJ-RYUDHWBXSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1[C@H]2CCC[C@H]2CN1C[N@H+]1CCCOCC1 ZINC000839984879 586326294 /nfs/dbraw/zinc/32/62/94/586326294.db2.gz YRKQNDBONGAUIJ-RYUDHWBXSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@@H+]1CCCOCC1 ZINC000839984881 586326348 /nfs/dbraw/zinc/32/63/48/586326348.db2.gz YRKQNDBONGAUIJ-VXGBXAGGSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@H+]1CCCOCC1 ZINC000839984881 586326350 /nfs/dbraw/zinc/32/63/50/586326350.db2.gz YRKQNDBONGAUIJ-VXGBXAGGSA-N 1 2 238.331 0.925 20 0 BCADLO C[C@H]1CCN(C[N@H+](C)CCn2cccn2)C1=O ZINC000839995529 586337769 /nfs/dbraw/zinc/33/77/69/586337769.db2.gz JWWBCWNMHUBLBH-NSHDSACASA-N 1 2 236.319 0.641 20 0 BCADLO C[C@H]1CCN(C[N@@H+](C)CCn2cccn2)C1=O ZINC000839995529 586337771 /nfs/dbraw/zinc/33/77/71/586337771.db2.gz JWWBCWNMHUBLBH-NSHDSACASA-N 1 2 236.319 0.641 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cn[nH]c1 ZINC000803362093 586347632 /nfs/dbraw/zinc/34/76/32/586347632.db2.gz UZUMEJAIDWQSLH-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cn[nH]c1 ZINC000803362093 586347634 /nfs/dbraw/zinc/34/76/34/586347634.db2.gz UZUMEJAIDWQSLH-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO Cn1ncc(C[N@H+](C)CC2(C)COC2)n1 ZINC000859572063 589045744 /nfs/dbraw/zinc/04/57/44/589045744.db2.gz MOFBCNZTTIOHJL-UHFFFAOYSA-N 1 2 210.281 0.283 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000859572063 589045746 /nfs/dbraw/zinc/04/57/46/589045746.db2.gz MOFBCNZTTIOHJL-UHFFFAOYSA-N 1 2 210.281 0.283 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H]2C[C@@H]2C)C1 ZINC000859571059 589045915 /nfs/dbraw/zinc/04/59/15/589045915.db2.gz MVPYFAZGKWZGME-AXFHLTTASA-N 1 2 227.304 0.906 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H]2C[C@@H]2C)C1 ZINC000859571059 589045917 /nfs/dbraw/zinc/04/59/17/589045917.db2.gz MVPYFAZGKWZGME-AXFHLTTASA-N 1 2 227.304 0.906 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H]2C[C@@H]2C)C1 ZINC000859571060 589046023 /nfs/dbraw/zinc/04/60/23/589046023.db2.gz MVPYFAZGKWZGME-DCAQKATOSA-N 1 2 227.304 0.906 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H]2C[C@@H]2C)C1 ZINC000859571060 589046025 /nfs/dbraw/zinc/04/60/25/589046025.db2.gz MVPYFAZGKWZGME-DCAQKATOSA-N 1 2 227.304 0.906 20 0 BCADLO CCn1ncc(C[N@H+](C)CC2(C)COC2)n1 ZINC000859573429 589046609 /nfs/dbraw/zinc/04/66/09/589046609.db2.gz YGFFTFFDIQFCPP-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000859573429 589046611 /nfs/dbraw/zinc/04/66/11/589046611.db2.gz YGFFTFFDIQFCPP-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CC[S@@](=O)CC(=O)OCCCn1cc[nH+]c1 ZINC000803479557 586360434 /nfs/dbraw/zinc/36/04/34/586360434.db2.gz XZRNIBJFVWTDDT-MRXNPFEDSA-N 1 2 244.316 0.585 20 0 BCADLO C[C@H]1C(=O)N(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000840016681 586375770 /nfs/dbraw/zinc/37/57/70/586375770.db2.gz WJDXOMOMUOMQTB-KKOKHZNYSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1C(=O)N(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000840016681 586375772 /nfs/dbraw/zinc/37/57/72/586375772.db2.gz WJDXOMOMUOMQTB-KKOKHZNYSA-N 1 2 238.331 0.922 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336941 586390355 /nfs/dbraw/zinc/39/03/55/586390355.db2.gz RVMMLHASEBSIPB-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335759 586391464 /nfs/dbraw/zinc/39/14/64/586391464.db2.gz DOAIVLLZNNSAKT-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C(F)F ZINC000804337340 586392392 /nfs/dbraw/zinc/39/23/92/586392392.db2.gz XUYCKAPEHQWXCC-LURJTMIESA-N 1 2 215.203 0.579 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2[nH]nnc2C)[C@@H](C)C1 ZINC000804378871 586393641 /nfs/dbraw/zinc/39/36/41/586393641.db2.gz CQZWJORFLUHQIC-QMMMGPOBSA-N 1 2 237.307 0.279 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2[nH]nnc2C)[C@@H](C)C1 ZINC000804378871 586393643 /nfs/dbraw/zinc/39/36/43/586393643.db2.gz CQZWJORFLUHQIC-QMMMGPOBSA-N 1 2 237.307 0.279 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCCNC(=O)[C@@H]2C)C1=O ZINC000840057007 586407489 /nfs/dbraw/zinc/40/74/89/586407489.db2.gz YTKNOYVEXZITEW-ZJUUUORDSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCCNC(=O)[C@@H]2C)C1=O ZINC000840057007 586407490 /nfs/dbraw/zinc/40/74/90/586407490.db2.gz YTKNOYVEXZITEW-ZJUUUORDSA-N 1 2 239.319 0.023 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cccnc1F ZINC000806819444 586418968 /nfs/dbraw/zinc/41/89/68/586418968.db2.gz DBINLGASCDCXHR-UHFFFAOYSA-N 1 2 233.202 0.996 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@H](F)C1 ZINC000840103829 586447050 /nfs/dbraw/zinc/44/70/50/586447050.db2.gz OZLAXNZZJJHZJK-CMPLNLGQSA-N 1 2 242.294 0.627 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840103829 586447052 /nfs/dbraw/zinc/44/70/52/586447052.db2.gz OZLAXNZZJJHZJK-CMPLNLGQSA-N 1 2 242.294 0.627 20 0 BCADLO CN(C)c1cc[nH+]cc1C(=O)NN1CCCC1 ZINC000808009949 586459173 /nfs/dbraw/zinc/45/91/73/586459173.db2.gz CZIUCWDSHNOCLO-UHFFFAOYSA-N 1 2 234.303 0.888 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808151057 586464711 /nfs/dbraw/zinc/46/47/11/586464711.db2.gz CSIPAEFNVUHGMC-MRVPVSSYSA-N 1 2 223.280 0.074 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808151057 586464713 /nfs/dbraw/zinc/46/47/13/586464713.db2.gz CSIPAEFNVUHGMC-MRVPVSSYSA-N 1 2 223.280 0.074 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)[C@H]1C ZINC000808165443 586465832 /nfs/dbraw/zinc/46/58/32/586465832.db2.gz DDQIFPBQTWLLPI-IUCAKERBSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)[C@H]1C ZINC000808165443 586465834 /nfs/dbraw/zinc/46/58/34/586465834.db2.gz DDQIFPBQTWLLPI-IUCAKERBSA-N 1 2 237.307 0.463 20 0 BCADLO C[N@H+](CN1C(=O)CCC1(C)C)[C@@H]1CCNC1=O ZINC000808174045 586466583 /nfs/dbraw/zinc/46/65/83/586466583.db2.gz HJSHNDUEZUWQJR-SECBINFHSA-N 1 2 239.319 0.165 20 0 BCADLO C[N@@H+](CN1C(=O)CCC1(C)C)[C@@H]1CCNC1=O ZINC000808174045 586466585 /nfs/dbraw/zinc/46/65/85/586466585.db2.gz HJSHNDUEZUWQJR-SECBINFHSA-N 1 2 239.319 0.165 20 0 BCADLO O=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nnn1C1CC1 ZINC000808174028 586466632 /nfs/dbraw/zinc/46/66/32/586466632.db2.gz HJFDCLLTWFJQJU-SNVBAGLBSA-N 1 2 249.318 0.464 20 0 BCADLO O=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nnn1C1CC1 ZINC000808174028 586466633 /nfs/dbraw/zinc/46/66/33/586466633.db2.gz HJFDCLLTWFJQJU-SNVBAGLBSA-N 1 2 249.318 0.464 20 0 BCADLO C[N@H+](CN1CC(C)(C)CC1=O)[C@H]1CCNC1=O ZINC000808174802 586466708 /nfs/dbraw/zinc/46/67/08/586466708.db2.gz UYSPJFLLWVETDL-VIFPVBQESA-N 1 2 239.319 0.023 20 0 BCADLO C[N@@H+](CN1CC(C)(C)CC1=O)[C@H]1CCNC1=O ZINC000808174802 586466709 /nfs/dbraw/zinc/46/67/09/586466709.db2.gz UYSPJFLLWVETDL-VIFPVBQESA-N 1 2 239.319 0.023 20 0 BCADLO Cn1cnc(C[NH2+]CC(=O)NC2CCCC2)c1 ZINC000808388762 586470335 /nfs/dbraw/zinc/47/03/35/586470335.db2.gz MQWIXFQNTKZDJH-UHFFFAOYSA-N 1 2 236.319 0.569 20 0 BCADLO CC(F)(F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000808466139 586474744 /nfs/dbraw/zinc/47/47/44/586474744.db2.gz SJJKKNFPCHAVDW-UHFFFAOYSA-N 1 2 215.203 0.922 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000808706348 586483081 /nfs/dbraw/zinc/48/30/81/586483081.db2.gz HTFNTONHGSYGDP-JTQLQIEISA-N 1 2 247.360 0.721 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000808706348 586483083 /nfs/dbraw/zinc/48/30/83/586483083.db2.gz HTFNTONHGSYGDP-JTQLQIEISA-N 1 2 247.360 0.721 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000808741543 586486551 /nfs/dbraw/zinc/48/65/51/586486551.db2.gz IWHTVDIWWMWNDU-VIFPVBQESA-N 1 2 244.360 0.504 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000808741543 586486552 /nfs/dbraw/zinc/48/65/52/586486552.db2.gz IWHTVDIWWMWNDU-VIFPVBQESA-N 1 2 244.360 0.504 20 0 BCADLO CC[N@H+](CCC(=O)C(C)C)CCS(C)(=O)=O ZINC000808740572 586486595 /nfs/dbraw/zinc/48/65/95/586486595.db2.gz SNZZBHIUFWXVTL-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO CC[N@@H+](CCC(=O)C(C)C)CCS(C)(=O)=O ZINC000808740572 586486597 /nfs/dbraw/zinc/48/65/97/586486597.db2.gz SNZZBHIUFWXVTL-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)s1 ZINC000808751786 586487963 /nfs/dbraw/zinc/48/79/63/586487963.db2.gz KRVFDXBCBPUCRQ-UWVGGRQHSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)s1 ZINC000808751786 586487965 /nfs/dbraw/zinc/48/79/65/586487965.db2.gz KRVFDXBCBPUCRQ-UWVGGRQHSA-N 1 2 242.344 0.627 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000808750041 586488316 /nfs/dbraw/zinc/48/83/16/586488316.db2.gz FTGILLDMLALHKE-PSASIEDQSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000808750041 586488317 /nfs/dbraw/zinc/48/83/17/586488317.db2.gz FTGILLDMLALHKE-PSASIEDQSA-N 1 2 228.317 0.318 20 0 BCADLO C[C@H]1CC(C)(C)C[N@@H+]1Cn1ncn(C)c1=O ZINC000840180760 586506308 /nfs/dbraw/zinc/50/63/08/586506308.db2.gz JUXYMNGEGDMABV-VIFPVBQESA-N 1 2 224.308 0.660 20 0 BCADLO C[C@H]1CC(C)(C)C[N@H+]1Cn1ncn(C)c1=O ZINC000840180760 586506310 /nfs/dbraw/zinc/50/63/10/586506310.db2.gz JUXYMNGEGDMABV-VIFPVBQESA-N 1 2 224.308 0.660 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CCS1 ZINC000809942690 586525106 /nfs/dbraw/zinc/52/51/06/586525106.db2.gz MJBCUZIKVVZRCA-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCS1 ZINC000809942690 586525108 /nfs/dbraw/zinc/52/51/08/586525108.db2.gz MJBCUZIKVVZRCA-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809948056 586525172 /nfs/dbraw/zinc/52/51/72/586525172.db2.gz RTRYTIGBAWIPPR-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809948056 586525173 /nfs/dbraw/zinc/52/51/73/586525173.db2.gz RTRYTIGBAWIPPR-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1cnn(C)n1 ZINC000809947256 586525290 /nfs/dbraw/zinc/52/52/90/586525290.db2.gz BJDOFVDFYKPVTL-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1cnn(C)n1 ZINC000809947256 586525292 /nfs/dbraw/zinc/52/52/92/586525292.db2.gz BJDOFVDFYKPVTL-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncc(C[N@H+](CCCCO)C2CC2)n1 ZINC000809948941 586525762 /nfs/dbraw/zinc/52/57/62/586525762.db2.gz SCTSNLNZTYYOTA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1ncc(C[N@@H+](CCCCO)C2CC2)n1 ZINC000809948941 586525764 /nfs/dbraw/zinc/52/57/64/586525764.db2.gz SCTSNLNZTYYOTA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000809966063 586526899 /nfs/dbraw/zinc/52/68/99/586526899.db2.gz SIJSPEIFJRNHEU-VIFPVBQESA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000809966063 586526901 /nfs/dbraw/zinc/52/69/01/586526901.db2.gz SIJSPEIFJRNHEU-VIFPVBQESA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncc(C[NH2+][C@@H](CCO)c2ccco2)n1 ZINC000809978781 586527901 /nfs/dbraw/zinc/52/79/01/586527901.db2.gz HCWGAJIKNHIMLD-JTQLQIEISA-N 1 2 236.275 0.621 20 0 BCADLO Cn1cc(C(C)(C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000809977221 586528062 /nfs/dbraw/zinc/52/80/62/586528062.db2.gz TZECQNNUEJUQFB-UHFFFAOYSA-N 1 2 234.307 0.574 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809981991 586528658 /nfs/dbraw/zinc/52/86/58/586528658.db2.gz DHPPLQHFDIAZRT-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809981991 586528660 /nfs/dbraw/zinc/52/86/60/586528660.db2.gz DHPPLQHFDIAZRT-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809986139 586528687 /nfs/dbraw/zinc/52/86/87/586528687.db2.gz ZOGTYDUVIQYUNO-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809986139 586528688 /nfs/dbraw/zinc/52/86/88/586528688.db2.gz ZOGTYDUVIQYUNO-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1nc(N(C)C)no1 ZINC000809996670 586529858 /nfs/dbraw/zinc/52/98/58/586529858.db2.gz LFSHLSHDOQHGGE-LURJTMIESA-N 1 2 243.267 0.169 20 0 BCADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N(C)C ZINC000809996909 586530148 /nfs/dbraw/zinc/53/01/48/586530148.db2.gz MVFDAFVWRQTEBR-SECBINFHSA-N 1 2 245.323 0.634 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000810001829 586530520 /nfs/dbraw/zinc/53/05/20/586530520.db2.gz MSTYPUGSWWYGNB-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000810001829 586530521 /nfs/dbraw/zinc/53/05/21/586530521.db2.gz MSTYPUGSWWYGNB-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)OCC[C@@H](O)C[NH2+][C@@]1(C)CCOC1=O ZINC000810096434 586533634 /nfs/dbraw/zinc/53/36/34/586533634.db2.gz NAQYZCTZPCXUBE-PWSUYJOCSA-N 1 2 245.319 0.458 20 0 BCADLO C[C@]1([NH2+]C[C@H]2CC3(CC3)C(=O)O2)CCOC1=O ZINC000810096865 586533884 /nfs/dbraw/zinc/53/38/84/586533884.db2.gz YEYIEPCBMIUQEH-KCJUWKMLSA-N 1 2 239.271 0.377 20 0 BCADLO O=C(Cc1cncnc1)OCCn1cc[nH+]c1 ZINC000811327633 586558452 /nfs/dbraw/zinc/55/84/52/586558452.db2.gz CIRYTXRPGIHBGN-UHFFFAOYSA-N 1 2 232.243 0.459 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1=CCCCO1 ZINC000811588201 586561443 /nfs/dbraw/zinc/56/14/43/586561443.db2.gz BJFJGAIVLWFLMA-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1c[nH+]cn1C ZINC000811589348 586561768 /nfs/dbraw/zinc/56/17/68/586561768.db2.gz SREBWJALUSVEFA-VIFPVBQESA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnco1 ZINC000811588378 586561844 /nfs/dbraw/zinc/56/18/44/586561844.db2.gz IPCUDIYPRHOPAT-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO COc1cccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000811588862 586561882 /nfs/dbraw/zinc/56/18/82/586561882.db2.gz ABURSVVJDKBZEH-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO C[C@@H]1NC(=S)N(Cc2c[nH+]cn2C)C1=O ZINC000811623768 586562145 /nfs/dbraw/zinc/56/21/45/586562145.db2.gz FQXYJAVWUSJQOW-LURJTMIESA-N 1 2 224.289 0.025 20 0 BCADLO CNC(=S)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811713251 586566058 /nfs/dbraw/zinc/56/60/58/586566058.db2.gz WSFWJFMWUDTBIW-ZCFIWIBFSA-N 1 2 210.306 0.361 20 0 BCADLO CNC(=S)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811713251 586566059 /nfs/dbraw/zinc/56/60/59/586566059.db2.gz WSFWJFMWUDTBIW-ZCFIWIBFSA-N 1 2 210.306 0.361 20 0 BCADLO CCNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712190 586566183 /nfs/dbraw/zinc/56/61/83/586566183.db2.gz KWROFILYBOXJPC-UHFFFAOYSA-N 1 2 210.306 0.593 20 0 BCADLO O=C1CC2(CCC2)N1CN1CCn2c[nH+]cc2C1 ZINC000811787526 586566569 /nfs/dbraw/zinc/56/65/69/586566569.db2.gz NIKXABHZLFGAGJ-UHFFFAOYSA-N 1 2 246.314 0.811 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC=CCC1 ZINC000811925326 586568684 /nfs/dbraw/zinc/56/86/84/586568684.db2.gz KDGUVAZOLDMREV-UHFFFAOYSA-N 1 2 220.276 0.892 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)NOC1CCC1 ZINC000812317545 586573354 /nfs/dbraw/zinc/57/33/54/586573354.db2.gz JORCKLSBGDRHSO-UHFFFAOYSA-N 1 2 243.307 0.102 20 0 BCADLO CON(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000812555794 586579290 /nfs/dbraw/zinc/57/92/90/586579290.db2.gz KKDRNLADXQNZAC-ZETCQYMHSA-N 1 2 224.264 0.470 20 0 BCADLO CON(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000812555794 586579291 /nfs/dbraw/zinc/57/92/91/586579291.db2.gz KKDRNLADXQNZAC-ZETCQYMHSA-N 1 2 224.264 0.470 20 0 BCADLO C[C@](O)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000813454821 586602214 /nfs/dbraw/zinc/60/22/14/586602214.db2.gz WWUNTFRQRJXIMO-CYBMUJFWSA-N 1 2 249.314 0.818 20 0 BCADLO CCn1ncc(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000814795562 586634696 /nfs/dbraw/zinc/63/46/96/586634696.db2.gz BEMVCOJXBQJHET-UHFFFAOYSA-N 1 2 248.290 0.304 20 0 BCADLO O=Cc1c[nH]c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000815251381 586675742 /nfs/dbraw/zinc/67/57/42/586675742.db2.gz IHYDMGPSGPHJRH-UHFFFAOYSA-N 1 2 233.227 0.881 20 0 BCADLO CCn1nncc1C(=O)OCCn1cc[nH+]c1 ZINC000815527045 586686860 /nfs/dbraw/zinc/68/68/60/586686860.db2.gz PCZQZYZNIGETIV-UHFFFAOYSA-N 1 2 235.247 0.352 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000815667095 586691104 /nfs/dbraw/zinc/69/11/04/586691104.db2.gz VQJMXOFQEQGUEU-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000815667095 586691106 /nfs/dbraw/zinc/69/11/06/586691106.db2.gz VQJMXOFQEQGUEU-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C[C@H]1C ZINC000815871090 586695496 /nfs/dbraw/zinc/69/54/96/586695496.db2.gz AMVNJHVKDKJHLB-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C[C@H]1C ZINC000815871090 586695498 /nfs/dbraw/zinc/69/54/98/586695498.db2.gz AMVNJHVKDKJHLB-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCNC(=O)CC1 ZINC000815881489 586695935 /nfs/dbraw/zinc/69/59/35/586695935.db2.gz PPKBRLRUSXCOOY-MRVPVSSYSA-N 1 2 249.270 0.064 20 0 BCADLO O=C(c1cnsn1)N1CCc2[nH]c[nH+]c2C1 ZINC000816651609 586752351 /nfs/dbraw/zinc/75/23/51/586752351.db2.gz LDSYJVQDLCAWDU-UHFFFAOYSA-N 1 2 235.272 0.460 20 0 BCADLO O=C(c1cnsn1)N1CCc2[nH+]c[nH]c2C1 ZINC000816651609 586752353 /nfs/dbraw/zinc/75/23/53/586752353.db2.gz LDSYJVQDLCAWDU-UHFFFAOYSA-N 1 2 235.272 0.460 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCOC1=O ZINC000859824623 589063781 /nfs/dbraw/zinc/06/37/81/589063781.db2.gz CENWQIFXSVKYEY-MQIGXGKASA-N 1 2 213.277 0.703 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCO1 ZINC000816810074 586764843 /nfs/dbraw/zinc/76/48/43/586764843.db2.gz WIHGYIXQAXPKDC-MRVPVSSYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1cccnc1 ZINC000816816230 586765967 /nfs/dbraw/zinc/76/59/67/586765967.db2.gz QIEVXONKDVNEMN-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO C[C@@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816860201 586769061 /nfs/dbraw/zinc/76/90/61/586769061.db2.gz ARHLCPBOIRFMBB-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO COC(=O)[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816871240 586769098 /nfs/dbraw/zinc/76/90/98/586769098.db2.gz DTIBGGGTFPVUPQ-MRVPVSSYSA-N 1 2 239.275 0.220 20 0 BCADLO CCOC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816943363 586772805 /nfs/dbraw/zinc/77/28/05/586772805.db2.gz WMVYFOCFWCDPHX-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO CCc1ncc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816952335 586773430 /nfs/dbraw/zinc/77/34/30/586773430.db2.gz IHOGMURCTHEJRD-UHFFFAOYSA-N 1 2 231.259 0.943 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816958013 586774521 /nfs/dbraw/zinc/77/45/21/586774521.db2.gz ZSSGSRFPAMOGRK-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCN1C ZINC000817291247 586793447 /nfs/dbraw/zinc/79/34/47/586793447.db2.gz MXAUREFCSSBLGC-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCN1C ZINC000817291247 586793448 /nfs/dbraw/zinc/79/34/48/586793448.db2.gz MXAUREFCSSBLGC-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCONC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840350987 586831975 /nfs/dbraw/zinc/83/19/75/586831975.db2.gz SKKNWMQUWVVEDK-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859908862 589070339 /nfs/dbraw/zinc/07/03/39/589070339.db2.gz QIXHEMCMRDEZDC-OTYXRUKQSA-N 1 2 223.313 0.425 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@H](CCF)C1 ZINC000859908862 589070341 /nfs/dbraw/zinc/07/03/41/589070341.db2.gz QIXHEMCMRDEZDC-OTYXRUKQSA-N 1 2 223.313 0.425 20 0 BCADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)[O-] ZINC000818113973 586875244 /nfs/dbraw/zinc/87/52/44/586875244.db2.gz VMLVBFOFWDNJPX-GXSJLCMTSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)[O-] ZINC000818113973 586875246 /nfs/dbraw/zinc/87/52/46/586875246.db2.gz VMLVBFOFWDNJPX-GXSJLCMTSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)[O-] ZINC000818113974 586875544 /nfs/dbraw/zinc/87/55/44/586875544.db2.gz VMLVBFOFWDNJPX-KOLCDFICSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)[O-] ZINC000818113974 586875545 /nfs/dbraw/zinc/87/55/45/586875545.db2.gz VMLVBFOFWDNJPX-KOLCDFICSA-N 1 2 226.320 0.924 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cn(C)nc2C)n1 ZINC000818220551 586879053 /nfs/dbraw/zinc/87/90/53/586879053.db2.gz IOTHJJAXKBDUSA-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cnn(C)c2)n1 ZINC000818222182 586879647 /nfs/dbraw/zinc/87/96/47/586879647.db2.gz XBTFMVPMRPPGMB-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO CCn1nc(C)c(CNCc2cn(C)c[nH+]2)n1 ZINC000818223028 586879966 /nfs/dbraw/zinc/87/99/66/586879966.db2.gz MMRHSOWISAMWPR-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000860016807 589075802 /nfs/dbraw/zinc/07/58/02/589075802.db2.gz OBFKGEAFLFEPSU-FHKCNRDCSA-N 1 2 218.684 0.315 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000860016807 589075804 /nfs/dbraw/zinc/07/58/04/589075804.db2.gz OBFKGEAFLFEPSU-FHKCNRDCSA-N 1 2 218.684 0.315 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000860016808 589076012 /nfs/dbraw/zinc/07/60/12/589076012.db2.gz OBFKGEAFLFEPSU-JQSQLHRZSA-N 1 2 218.684 0.315 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000860016808 589076014 /nfs/dbraw/zinc/07/60/14/589076014.db2.gz OBFKGEAFLFEPSU-JQSQLHRZSA-N 1 2 218.684 0.315 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C/[C@H]1CCCO1 ZINC000819239477 586941648 /nfs/dbraw/zinc/94/16/48/586941648.db2.gz TUUJQJWUJLDRJN-ORAHPGNNSA-N 1 2 235.287 0.772 20 0 BCADLO O=C(/C=C/[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000819303547 586949177 /nfs/dbraw/zinc/94/91/77/586949177.db2.gz ZABKYRRKZXTNEU-HMDXOVGESA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000819303547 586949178 /nfs/dbraw/zinc/94/91/78/586949178.db2.gz ZABKYRRKZXTNEU-HMDXOVGESA-N 1 2 221.260 0.761 20 0 BCADLO O=C(/C=C\[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000819303548 586949198 /nfs/dbraw/zinc/94/91/98/586949198.db2.gz ZABKYRRKZXTNEU-UMBAGQNISA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000819303548 586949199 /nfs/dbraw/zinc/94/91/99/586949199.db2.gz ZABKYRRKZXTNEU-UMBAGQNISA-N 1 2 221.260 0.761 20 0 BCADLO CCn1ccnc1[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000819353935 586954392 /nfs/dbraw/zinc/95/43/92/586954392.db2.gz OWLQAPWGHMPHPT-VIFPVBQESA-N 1 2 245.348 0.598 20 0 BCADLO CCn1ccnc1[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000819353933 586955759 /nfs/dbraw/zinc/95/57/59/586955759.db2.gz OWLQAPWGHMPHPT-SECBINFHSA-N 1 2 245.348 0.598 20 0 BCADLO COc1cccnc1C[NH2+]CCS(C)(=O)=O ZINC000819360752 586956819 /nfs/dbraw/zinc/95/68/19/586956819.db2.gz KPOWNIZXRFWMRT-UHFFFAOYSA-N 1 2 244.316 0.224 20 0 BCADLO NC(=O)NC(=O)CC[NH2+]c1ccc2c(c1)CCO2 ZINC000819403073 586961404 /nfs/dbraw/zinc/96/14/04/586961404.db2.gz FIKILMUWXHQDEU-UHFFFAOYSA-N 1 2 249.270 0.618 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000819535629 586974867 /nfs/dbraw/zinc/97/48/67/586974867.db2.gz ZLNIKKRWBASLBH-DOGVGXBMSA-N 1 2 235.287 0.772 20 0 BCADLO C[C@@H]1CN=C(NC(=O)Cc2c[nH+]cn2C)S1 ZINC000819781080 586994040 /nfs/dbraw/zinc/99/40/40/586994040.db2.gz IZTKSTUQZYNOEZ-SSDOTTSWSA-N 1 2 238.316 0.570 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(=O)O1 ZINC000819836853 586999162 /nfs/dbraw/zinc/99/91/62/586999162.db2.gz DUPAIOWAWBUIAG-RKDXNWHRSA-N 1 2 237.259 0.093 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000820079766 587019032 /nfs/dbraw/zinc/01/90/32/587019032.db2.gz VFMNTUAUEJSKJE-DTWKUNHWSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000820079766 587019033 /nfs/dbraw/zinc/01/90/33/587019033.db2.gz VFMNTUAUEJSKJE-DTWKUNHWSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000820080077 587019145 /nfs/dbraw/zinc/01/91/45/587019145.db2.gz XDVQKEMMLJXKHK-GXSJLCMTSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000820080077 587019146 /nfs/dbraw/zinc/01/91/46/587019146.db2.gz XDVQKEMMLJXKHK-GXSJLCMTSA-N 1 2 226.320 0.924 20 0 BCADLO COC(OC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000820176816 587032183 /nfs/dbraw/zinc/03/21/83/587032183.db2.gz JYQJKCISKSAZAB-SECBINFHSA-N 1 2 241.291 0.254 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000820238012 587037763 /nfs/dbraw/zinc/03/77/63/587037763.db2.gz GWEZKJDJQIITFO-NXEZZACHSA-N 1 2 214.309 0.781 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000820238012 587037765 /nfs/dbraw/zinc/03/77/65/587037765.db2.gz GWEZKJDJQIITFO-NXEZZACHSA-N 1 2 214.309 0.781 20 0 BCADLO CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820348404 587044515 /nfs/dbraw/zinc/04/45/15/587044515.db2.gz TUDMKROVXAROJY-NXEZZACHSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820348404 587044516 /nfs/dbraw/zinc/04/45/16/587044516.db2.gz TUDMKROVXAROJY-NXEZZACHSA-N 1 2 214.309 0.924 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NOCC2CC2)c1 ZINC000820484973 587051270 /nfs/dbraw/zinc/05/12/70/587051270.db2.gz SOIFYBLDZMLEIA-SNAWJCMRSA-N 1 2 221.260 0.891 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)c2cn[nH]c2)[nH+]1 ZINC000820491720 587051530 /nfs/dbraw/zinc/05/15/30/587051530.db2.gz XSZUGDIMTCEABC-UHFFFAOYSA-N 1 2 233.275 0.901 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860156393 589082794 /nfs/dbraw/zinc/08/27/94/589082794.db2.gz MRHPZOOJKZTNPD-HTQZYQBOSA-N 1 2 237.259 0.237 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860156393 589082796 /nfs/dbraw/zinc/08/27/96/589082796.db2.gz MRHPZOOJKZTNPD-HTQZYQBOSA-N 1 2 237.259 0.237 20 0 BCADLO OCc1cnc(NCCNc2cccc[nH+]2)cn1 ZINC000820611117 587058752 /nfs/dbraw/zinc/05/87/52/587058752.db2.gz UCIDZPARZMXVDL-UHFFFAOYSA-N 1 2 245.286 0.888 20 0 BCADLO Cc1cnc(N(C)CC[NH+]2CCOCC2)o1 ZINC000820651642 587062214 /nfs/dbraw/zinc/06/22/14/587062214.db2.gz ILUIBGZZMURVCG-UHFFFAOYSA-N 1 2 225.292 0.751 20 0 BCADLO O=S(=O)(NCCn1cc[nH+]c1)C1CCC1 ZINC000820774159 587071903 /nfs/dbraw/zinc/07/19/03/587071903.db2.gz VYIHNKAUMXTESU-UHFFFAOYSA-N 1 2 229.305 0.355 20 0 BCADLO C[NH+](C)CCONC(=O)[C@H]1CCc2cccnc21 ZINC000821006649 587088100 /nfs/dbraw/zinc/08/81/00/587088100.db2.gz UMMYTVHQBOGCFQ-NSHDSACASA-N 1 2 249.314 0.721 20 0 BCADLO O=C(C[NH+]1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000821024995 587089548 /nfs/dbraw/zinc/08/95/48/587089548.db2.gz FAWGSDPDFIELAE-LLVKDONJSA-N 1 2 248.330 0.999 20 0 BCADLO CCn1cc(C(=O)NCc2[nH+]ccn2CC)nn1 ZINC000821239706 587103136 /nfs/dbraw/zinc/10/31/36/587103136.db2.gz VAGQQCFGMUHDIU-UHFFFAOYSA-N 1 2 248.290 0.444 20 0 BCADLO CC(C)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821347013 587110740 /nfs/dbraw/zinc/11/07/40/587110740.db2.gz AYCZHPJYKQHQTD-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)COC1 ZINC000821385393 587115027 /nfs/dbraw/zinc/11/50/27/587115027.db2.gz KOIAPEQEXABOJV-JTQLQIEISA-N 1 2 249.314 0.597 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CO)C2CC2)[nH+]1 ZINC000821497051 587122738 /nfs/dbraw/zinc/12/27/38/587122738.db2.gz IFCWOOJPSZRLRO-JTQLQIEISA-N 1 2 237.303 0.402 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000821515883 587124650 /nfs/dbraw/zinc/12/46/50/587124650.db2.gz JPQPHUPSRGOMDM-KXUCPTDWSA-N 1 2 235.287 0.844 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(O)C1 ZINC000821925923 587147241 /nfs/dbraw/zinc/14/72/41/587147241.db2.gz KVYOGQAYFMOXAL-YDYPAMBWSA-N 1 2 235.287 0.495 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(O)C1 ZINC000821925923 587147243 /nfs/dbraw/zinc/14/72/43/587147243.db2.gz KVYOGQAYFMOXAL-YDYPAMBWSA-N 1 2 235.287 0.495 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@H](O)C2CCC2)c1 ZINC000822031474 587149477 /nfs/dbraw/zinc/14/94/77/587149477.db2.gz CGVKZBWRKNYGEV-FYJFLYSWSA-N 1 2 249.314 0.711 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000822109882 587153763 /nfs/dbraw/zinc/15/37/63/587153763.db2.gz QUVSSLRIYIAJMO-YGEYTSGZSA-N 1 2 249.314 0.663 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000860181757 589088147 /nfs/dbraw/zinc/08/81/47/589088147.db2.gz UIQRBXKHQOTQLK-NSHDSACASA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnon1 ZINC000860181757 589088149 /nfs/dbraw/zinc/08/81/49/589088149.db2.gz UIQRBXKHQOTQLK-NSHDSACASA-N 1 2 238.291 0.560 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000822156657 587157352 /nfs/dbraw/zinc/15/73/52/587157352.db2.gz VPNYYYYXDMMBAD-UWVGGRQHSA-N 1 2 236.275 0.553 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000822156656 587157365 /nfs/dbraw/zinc/15/73/65/587157365.db2.gz VPNYYYYXDMMBAD-NXEZZACHSA-N 1 2 236.275 0.553 20 0 BCADLO O=C(C[NH+]1CCCC1)NC1(c2nnc[nH]2)CCC1 ZINC000822329437 587162852 /nfs/dbraw/zinc/16/28/52/587162852.db2.gz FPANQIIEXFKGHP-UHFFFAOYSA-N 1 2 249.318 0.396 20 0 BCADLO Cn1ncc(C[NH+]2CC(CC(F)F)C2)n1 ZINC000822520613 587172811 /nfs/dbraw/zinc/17/28/11/587172811.db2.gz IZFOKFBGGDFLJZ-UHFFFAOYSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC=CC2)c1 ZINC000822548236 587174512 /nfs/dbraw/zinc/17/45/12/587174512.db2.gz YSPFHKHTPOSDHK-SNAWJCMRSA-N 1 2 203.245 0.832 20 0 BCADLO CCOCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000822683985 587180904 /nfs/dbraw/zinc/18/09/04/587180904.db2.gz RCAXVRCKXLRKKX-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000822918914 587192860 /nfs/dbraw/zinc/19/28/60/587192860.db2.gz FZIATPFXSIMMMO-ZETCQYMHSA-N 1 2 247.258 0.845 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000822918914 587192861 /nfs/dbraw/zinc/19/28/61/587192861.db2.gz FZIATPFXSIMMMO-ZETCQYMHSA-N 1 2 247.258 0.845 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CCS(=O)(=O)CC ZINC000823200204 587208243 /nfs/dbraw/zinc/20/82/43/587208243.db2.gz RSNKMICSMUXKBD-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CCS(=O)(=O)CC ZINC000823200204 587208244 /nfs/dbraw/zinc/20/82/44/587208244.db2.gz RSNKMICSMUXKBD-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)CC ZINC000823200204 587208245 /nfs/dbraw/zinc/20/82/45/587208245.db2.gz RSNKMICSMUXKBD-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1CCS(=O)(=O)CC ZINC000823200204 587208246 /nfs/dbraw/zinc/20/82/46/587208246.db2.gz RSNKMICSMUXKBD-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC1=NO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000823335531 587217189 /nfs/dbraw/zinc/21/71/89/587217189.db2.gz YSSRFYAMQGALML-IVZWLZJFSA-N 1 2 248.286 0.794 20 0 BCADLO CC1=NO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000823335531 587217190 /nfs/dbraw/zinc/21/71/90/587217190.db2.gz YSSRFYAMQGALML-IVZWLZJFSA-N 1 2 248.286 0.794 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000823379391 587218721 /nfs/dbraw/zinc/21/87/21/587218721.db2.gz GFDSLXAJOYWWRY-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000823379391 587218723 /nfs/dbraw/zinc/21/87/23/587218723.db2.gz GFDSLXAJOYWWRY-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@H+](CCCO)C2CC2)n1 ZINC000823446955 587222558 /nfs/dbraw/zinc/22/25/58/587222558.db2.gz AMEQBUDWPFPTIZ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CCCO)C2CC2)n1 ZINC000823446955 587222559 /nfs/dbraw/zinc/22/25/59/587222559.db2.gz AMEQBUDWPFPTIZ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000824308314 587265494 /nfs/dbraw/zinc/26/54/94/587265494.db2.gz YJFGGDOQXOITND-LLVKDONJSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000824308314 587265495 /nfs/dbraw/zinc/26/54/95/587265495.db2.gz YJFGGDOQXOITND-LLVKDONJSA-N 1 2 238.335 0.809 20 0 BCADLO CON(C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000824531966 587273532 /nfs/dbraw/zinc/27/35/32/587273532.db2.gz UNLDBPNIDJZCSO-UHFFFAOYSA-N 1 2 240.307 0.273 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnn2c1CCC2 ZINC000824560689 587276448 /nfs/dbraw/zinc/27/64/48/587276448.db2.gz JYGLYDLRXUQRGK-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnn2c1CCC2 ZINC000824560689 587276449 /nfs/dbraw/zinc/27/64/49/587276449.db2.gz JYGLYDLRXUQRGK-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCCNC(=O)C1 ZINC000824626963 587280125 /nfs/dbraw/zinc/28/01/25/587280125.db2.gz FGUMMVJUSSTPRK-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CCCn1nccc1C[N@H+]1CCCNC(=O)C1 ZINC000824626963 587280127 /nfs/dbraw/zinc/28/01/27/587280127.db2.gz FGUMMVJUSSTPRK-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629446 587280242 /nfs/dbraw/zinc/28/02/42/587280242.db2.gz TVTWSFDECWGDMM-RKDXNWHRSA-N 1 2 209.249 0.403 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629446 587280243 /nfs/dbraw/zinc/28/02/43/587280243.db2.gz TVTWSFDECWGDMM-RKDXNWHRSA-N 1 2 209.249 0.403 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000824629556 587280353 /nfs/dbraw/zinc/28/03/53/587280353.db2.gz WJVZNCMMLSGYGI-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000824629556 587280354 /nfs/dbraw/zinc/28/03/54/587280354.db2.gz WJVZNCMMLSGYGI-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CCCO2)c1 ZINC000824785566 587287212 /nfs/dbraw/zinc/28/72/12/587287212.db2.gz BXFAYQSMSJCVCT-ZWNMCFTASA-N 1 2 235.287 0.729 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000824895192 587291974 /nfs/dbraw/zinc/29/19/74/587291974.db2.gz SELIPKMZUGKVOP-QMMMGPOBSA-N 1 2 249.270 0.697 20 0 BCADLO CO[C@@H](C)CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825139916 587306474 /nfs/dbraw/zinc/30/64/74/587306474.db2.gz GJLQBCKENQNVFS-WBSSQXGSSA-N 1 2 223.276 0.584 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(OC(C)C)C1 ZINC000825314660 587314250 /nfs/dbraw/zinc/31/42/50/587314250.db2.gz PWMKOSYHNDJSFG-UHFFFAOYSA-N 1 2 237.303 0.896 20 0 BCADLO CCN(CCO)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825425054 587318711 /nfs/dbraw/zinc/31/87/11/587318711.db2.gz ZBAJWHZNNYQUIZ-UHFFFAOYSA-N 1 2 248.290 0.389 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@]12C[C@H]1CCC2 ZINC000825526427 587323494 /nfs/dbraw/zinc/32/34/94/587323494.db2.gz GALKRKDVSMSOEM-GBIKHYSHSA-N 1 2 249.314 0.760 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825540586 587324052 /nfs/dbraw/zinc/32/40/52/587324052.db2.gz VGHVXQRVZNXUJR-IWSPIJDZSA-N 1 2 223.276 0.632 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000825543583 587324410 /nfs/dbraw/zinc/32/44/10/587324410.db2.gz YWOQTBZXYVKDMF-RKDXNWHRSA-N 1 2 240.307 0.793 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000825544914 587324686 /nfs/dbraw/zinc/32/46/86/587324686.db2.gz POEUCHTZAOIVGK-GZMMTYOYSA-N 1 2 225.292 0.758 20 0 BCADLO C[C@H](O)C1(NC(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000825677166 587331222 /nfs/dbraw/zinc/33/12/22/587331222.db2.gz AYGSERBLSZPNIV-NWALNABHSA-N 1 2 235.287 0.463 20 0 BCADLO C[C@@H]1C[C@H]([NH+](C)CCNC(=O)[O-])CC[N@@H+]1C ZINC000825790134 587339305 /nfs/dbraw/zinc/33/93/05/587339305.db2.gz TXXZDYNFZZWHMY-NXEZZACHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@H]([NH+](C)CCNC(=O)[O-])CC[N@H+]1C ZINC000825790134 587339307 /nfs/dbraw/zinc/33/93/07/587339307.db2.gz TXXZDYNFZZWHMY-NXEZZACHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@H]([N@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790134 587339308 /nfs/dbraw/zinc/33/93/08/587339308.db2.gz TXXZDYNFZZWHMY-NXEZZACHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790134 587339310 /nfs/dbraw/zinc/33/93/10/587339310.db2.gz TXXZDYNFZZWHMY-NXEZZACHSA-N 1 2 229.324 0.669 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(Cc3c[nH+]c(C)n3C)C[C@@H]21 ZINC000825968602 587347391 /nfs/dbraw/zinc/34/73/91/587347391.db2.gz WWIDCIGEARPCQR-GDNZZTSVSA-N 1 2 249.314 0.579 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048380 587349487 /nfs/dbraw/zinc/34/94/87/587349487.db2.gz HSKLRHPMLIIJJO-IUCAKERBSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050105 587349225 /nfs/dbraw/zinc/34/92/25/587349225.db2.gz RUOHITZMABFFBG-BDAKNGLRSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050105 587349226 /nfs/dbraw/zinc/34/92/26/587349226.db2.gz RUOHITZMABFFBG-BDAKNGLRSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048381 587349320 /nfs/dbraw/zinc/34/93/20/587349320.db2.gz HSKLRHPMLIIJJO-RKDXNWHRSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048381 587349321 /nfs/dbraw/zinc/34/93/21/587349321.db2.gz HSKLRHPMLIIJJO-RKDXNWHRSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048380 587349488 /nfs/dbraw/zinc/34/94/88/587349488.db2.gz HSKLRHPMLIIJJO-IUCAKERBSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049920 587349371 /nfs/dbraw/zinc/34/93/71/587349371.db2.gz PGRRYBHEVZBSQA-ONGXEEELSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049920 587349372 /nfs/dbraw/zinc/34/93/72/587349372.db2.gz PGRRYBHEVZBSQA-ONGXEEELSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826050088 587349595 /nfs/dbraw/zinc/34/95/95/587349595.db2.gz RNZRUWFNMYLTST-UTLUCORTSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826050088 587349596 /nfs/dbraw/zinc/34/95/96/587349596.db2.gz RNZRUWFNMYLTST-UTLUCORTSA-N 1 2 227.308 0.278 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCOC2)[nH+]1 ZINC000826275516 587351502 /nfs/dbraw/zinc/35/15/02/587351502.db2.gz BQKFPZUWZRCQJO-MRVPVSSYSA-N 1 2 246.274 0.771 20 0 BCADLO Cc1cc[nH+]c(N[C@H]2CCOC2)c1-c1nn[nH]n1 ZINC000826312673 587352461 /nfs/dbraw/zinc/35/24/61/587352461.db2.gz LGYHOKFGAVRNKU-QMMMGPOBSA-N 1 2 246.274 0.771 20 0 BCADLO C[C@H](O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826704019 587359503 /nfs/dbraw/zinc/35/95/03/587359503.db2.gz OWWLLUJZTIMXLN-JOYOIKCWSA-N 1 2 234.299 0.670 20 0 BCADLO C[C@H](O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826704019 587359504 /nfs/dbraw/zinc/35/95/04/587359504.db2.gz OWWLLUJZTIMXLN-JOYOIKCWSA-N 1 2 234.299 0.670 20 0 BCADLO CCCCOC(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000826719867 587359982 /nfs/dbraw/zinc/35/99/82/587359982.db2.gz XOWOKJJDTKAKCZ-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCCOC(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000826725936 587360262 /nfs/dbraw/zinc/36/02/62/587360262.db2.gz XZTCNLMLNZTUIC-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO COCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826735652 587360655 /nfs/dbraw/zinc/36/06/55/587360655.db2.gz DZAJJROFIUFDFK-GFCCVEGCSA-N 1 2 234.299 0.936 20 0 BCADLO COCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826735652 587360656 /nfs/dbraw/zinc/36/06/56/587360656.db2.gz DZAJJROFIUFDFK-GFCCVEGCSA-N 1 2 234.299 0.936 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCCOCCF)c1 ZINC000826746294 587361031 /nfs/dbraw/zinc/36/10/31/587361031.db2.gz VFKQZKZEJAXSNY-NSCUHMNNSA-N 1 2 241.266 0.536 20 0 BCADLO CCc1cc(NCC(=O)N(CC)OC)nc[nH+]1 ZINC000826756731 587361180 /nfs/dbraw/zinc/36/11/80/587361180.db2.gz XWZSIFUNDMNRSN-UHFFFAOYSA-N 1 2 238.291 0.861 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)C1CSC1 ZINC000867042880 587361574 /nfs/dbraw/zinc/36/15/74/587361574.db2.gz RNHXLOBJQCMSHI-UHFFFAOYSA-N 1 2 210.258 0.511 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1nc(N(C)C)cc[nH+]1 ZINC000826798397 587362836 /nfs/dbraw/zinc/36/28/36/587362836.db2.gz WLLXGRYDQGMNCU-QMMMGPOBSA-N 1 2 235.291 0.167 20 0 BCADLO CC1=NO[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000826834620 587363607 /nfs/dbraw/zinc/36/36/07/587363607.db2.gz UYNKGRGAMOCQDI-QMMMGPOBSA-N 1 2 222.248 0.533 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOCC1CC1 ZINC000826852777 587364266 /nfs/dbraw/zinc/36/42/66/587364266.db2.gz OAKXFQMPJKSSMN-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO CCN(CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827130391 587370868 /nfs/dbraw/zinc/37/08/68/587370868.db2.gz VPLVTFIFFNOUMF-GHMZBOCLSA-N 1 2 243.351 0.916 20 0 BCADLO CCN(CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827130391 587370869 /nfs/dbraw/zinc/37/08/69/587370869.db2.gz VPLVTFIFFNOUMF-GHMZBOCLSA-N 1 2 243.351 0.916 20 0 BCADLO CCN(CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827150566 587371311 /nfs/dbraw/zinc/37/13/11/587371311.db2.gz IEBBDVHDLOLWQM-VHSXEESVSA-N 1 2 229.324 0.526 20 0 BCADLO CCN(CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827150566 587371312 /nfs/dbraw/zinc/37/13/12/587371312.db2.gz IEBBDVHDLOLWQM-VHSXEESVSA-N 1 2 229.324 0.526 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)[C@@H](C)C1 ZINC000827198105 587372585 /nfs/dbraw/zinc/37/25/85/587372585.db2.gz FMFWTIYOVMQMFL-AXFHLTTASA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)[C@@H](C)C1 ZINC000827198105 587372586 /nfs/dbraw/zinc/37/25/86/587372586.db2.gz FMFWTIYOVMQMFL-AXFHLTTASA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+]CCCNC(=O)[O-])[C@@H](C)C1 ZINC000827198534 587372597 /nfs/dbraw/zinc/37/25/97/587372597.db2.gz JAQXZDSVCWMAMZ-UWVGGRQHSA-N 1 2 229.324 0.574 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCNC(=O)[O-])[C@@H](C)C1 ZINC000827198534 587372598 /nfs/dbraw/zinc/37/25/98/587372598.db2.gz JAQXZDSVCWMAMZ-UWVGGRQHSA-N 1 2 229.324 0.574 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC000827428691 587380816 /nfs/dbraw/zinc/38/08/16/587380816.db2.gz MFKMCDJTKJVEQG-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC000827428691 587380817 /nfs/dbraw/zinc/38/08/17/587380817.db2.gz MFKMCDJTKJVEQG-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)CC[S@@](C)=O ZINC000827442935 587381770 /nfs/dbraw/zinc/38/17/70/587381770.db2.gz VCXLPYWTNMCIKV-MRXNPFEDSA-N 1 2 248.392 0.603 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)CC[S@@](C)=O ZINC000827442935 587381771 /nfs/dbraw/zinc/38/17/71/587381771.db2.gz VCXLPYWTNMCIKV-MRXNPFEDSA-N 1 2 248.392 0.603 20 0 BCADLO Cc1c[nH]c(CNC(=O)c2cc(C=O)n(C)c2)[nH+]1 ZINC000827582379 587390032 /nfs/dbraw/zinc/39/00/32/587390032.db2.gz IFDCOKNEVHDFKX-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000827612393 587392367 /nfs/dbraw/zinc/39/23/67/587392367.db2.gz FLNGJHNAISTMAB-NSHDSACASA-N 1 2 223.276 0.495 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCCC2)nn1 ZINC000827627012 587393240 /nfs/dbraw/zinc/39/32/40/587393240.db2.gz LVXFFRDJNTWVDR-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCCC2)nn1 ZINC000827627012 587393242 /nfs/dbraw/zinc/39/32/42/587393242.db2.gz LVXFFRDJNTWVDR-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(C)CC(=O)CCN1CC[NH+](CCO)CC1 ZINC000827719849 587398985 /nfs/dbraw/zinc/39/89/85/587398985.db2.gz RMSAOGUTEQUFLF-UHFFFAOYSA-N 1 2 242.363 0.602 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC000827872556 587406563 /nfs/dbraw/zinc/40/65/63/587406563.db2.gz YJXKKAWUVFWTQT-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccc(F)nc2)CC1 ZINC000827872556 587406565 /nfs/dbraw/zinc/40/65/65/587406565.db2.gz YJXKKAWUVFWTQT-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO C1=CO[C@H](C[N@@H+]2CCc3nn[nH]c3C2)CC1 ZINC000827885079 587407435 /nfs/dbraw/zinc/40/74/35/587407435.db2.gz PTQJMFOZKIUKHV-VIFPVBQESA-N 1 2 220.276 0.856 20 0 BCADLO C1=CO[C@H](C[N@H+]2CCc3nn[nH]c3C2)CC1 ZINC000827885079 587407437 /nfs/dbraw/zinc/40/74/37/587407437.db2.gz PTQJMFOZKIUKHV-VIFPVBQESA-N 1 2 220.276 0.856 20 0 BCADLO CCc1cc(NC(=O)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000827986617 587415339 /nfs/dbraw/zinc/41/53/39/587415339.db2.gz QSVPPERLGWWYTM-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO C[NH+](C)[C@@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827993130 587415567 /nfs/dbraw/zinc/41/55/67/587415567.db2.gz ABCGZXJVVSYHPH-MNOVXSKESA-N 1 2 241.335 0.669 20 0 BCADLO CC[C@@](C)([NH2+]CC[S@@](C)=O)C(=O)OC ZINC000828122410 587419998 /nfs/dbraw/zinc/41/99/98/587419998.db2.gz LMJNUPSIVNKJFF-YMTOWFKASA-N 1 2 221.322 0.296 20 0 BCADLO CSCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000828202801 587423502 /nfs/dbraw/zinc/42/35/02/587423502.db2.gz KNFHBQCCYAHXHW-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)C[C@H](C)[S@@]1=O ZINC000828419454 587441424 /nfs/dbraw/zinc/44/14/24/587441424.db2.gz COBLGBSFGNECAN-WAYYCVMKSA-N 1 2 237.390 0.206 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@](C)=O)C[C@H](C)[S@@]1=O ZINC000828419454 587441425 /nfs/dbraw/zinc/44/14/25/587441425.db2.gz COBLGBSFGNECAN-WAYYCVMKSA-N 1 2 237.390 0.206 20 0 BCADLO C[NH+]1CCC([NH2+]C2CN(C(=O)[O-])C2)CC1 ZINC000828473159 587444502 /nfs/dbraw/zinc/44/45/02/587444502.db2.gz UDYWNJULQVKPSO-UHFFFAOYSA-N 1 2 213.281 0.032 20 0 BCADLO C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)[O-])CC2)C1 ZINC000828471034 587444631 /nfs/dbraw/zinc/44/46/31/587444631.db2.gz HSPNHJDWVFQLAW-ILDUYXDCSA-N 1 2 241.335 0.859 20 0 BCADLO C[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)[O-])CC2)C1 ZINC000828471034 587444632 /nfs/dbraw/zinc/44/46/32/587444632.db2.gz HSPNHJDWVFQLAW-ILDUYXDCSA-N 1 2 241.335 0.859 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000828532520 587447120 /nfs/dbraw/zinc/44/71/20/587447120.db2.gz WZLVMHVCBKOQKJ-ANRSDYALSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000828532520 587447121 /nfs/dbraw/zinc/44/71/21/587447121.db2.gz WZLVMHVCBKOQKJ-ANRSDYALSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000828532522 587447343 /nfs/dbraw/zinc/44/73/43/587447343.db2.gz WZLVMHVCBKOQKJ-GLEZIHRCSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000828532522 587447344 /nfs/dbraw/zinc/44/73/44/587447344.db2.gz WZLVMHVCBKOQKJ-GLEZIHRCSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000828525112 587447500 /nfs/dbraw/zinc/44/75/00/587447500.db2.gz KIDRLUNNUMIVAS-UVWXRNBGSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000828525112 587447502 /nfs/dbraw/zinc/44/75/02/587447502.db2.gz KIDRLUNNUMIVAS-UVWXRNBGSA-N 1 2 247.360 0.245 20 0 BCADLO COCCOC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828733078 587458944 /nfs/dbraw/zinc/45/89/44/587458944.db2.gz ZFXWXEIVTDVLED-SECBINFHSA-N 1 2 241.291 0.120 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CC[S@](C)=O)C(=O)OC ZINC000828816221 587463922 /nfs/dbraw/zinc/46/39/22/587463922.db2.gz NIJFKGNOAJHUPN-UTEYVOQOSA-N 1 2 235.349 0.542 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2C[C@H](O)C2)c1 ZINC000828844806 587465879 /nfs/dbraw/zinc/46/58/79/587465879.db2.gz SKYLVCKVUZGDSK-OJKFRZQCSA-N 1 2 235.287 0.320 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000828846812 587466443 /nfs/dbraw/zinc/46/64/43/587466443.db2.gz UEFNRXRIOIBROH-NXEZZACHSA-N 1 2 217.309 0.792 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000828846815 587466565 /nfs/dbraw/zinc/46/65/65/587466565.db2.gz UEFNRXRIOIBROH-ZJUUUORDSA-N 1 2 217.309 0.792 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2nc3ccccc3[nH]2)C1 ZINC000829045372 587480759 /nfs/dbraw/zinc/48/07/59/587480759.db2.gz LUDMNFPQSXLXFO-UHFFFAOYSA-N 1 2 244.298 0.870 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](CC[S@@](C)=O)C1CCC1 ZINC000829166196 587485855 /nfs/dbraw/zinc/48/58/55/587485855.db2.gz PSYWBHKHMODZPZ-JDNHERCYSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](CC[S@@](C)=O)C1CCC1 ZINC000829166196 587485857 /nfs/dbraw/zinc/48/58/57/587485857.db2.gz PSYWBHKHMODZPZ-JDNHERCYSA-N 1 2 247.360 0.781 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3c[nH]cn3)cc2C1 ZINC000829446151 587497315 /nfs/dbraw/zinc/49/73/15/587497315.db2.gz LWEVQWJBIQKSNU-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3c[nH]cn3)cc2C1 ZINC000829446151 587497317 /nfs/dbraw/zinc/49/73/17/587497317.db2.gz LWEVQWJBIQKSNU-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC=C[C@@H]2CO)c1 ZINC000829471796 587499186 /nfs/dbraw/zinc/49/91/86/587499186.db2.gz SZQJBRQCFXJWIX-SGUJLRQBSA-N 1 2 233.271 0.193 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000829505322 587500880 /nfs/dbraw/zinc/50/08/80/587500880.db2.gz JMGIGERGTXNFCN-WPRPVWTQSA-N 1 2 237.246 0.292 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000829505322 587500881 /nfs/dbraw/zinc/50/08/81/587500881.db2.gz JMGIGERGTXNFCN-WPRPVWTQSA-N 1 2 237.246 0.292 20 0 BCADLO COC(=O)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000829784566 587516332 /nfs/dbraw/zinc/51/63/32/587516332.db2.gz NEENUIQPQNATSD-UHFFFAOYSA-N 1 2 237.259 0.116 20 0 BCADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000829911878 587527650 /nfs/dbraw/zinc/52/76/50/587527650.db2.gz BCSWLBKJKOQZKR-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC000830124923 587537537 /nfs/dbraw/zinc/53/75/37/587537537.db2.gz FHXFBLGKPIGWMZ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC000830124923 587537539 /nfs/dbraw/zinc/53/75/39/587537539.db2.gz FHXFBLGKPIGWMZ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cncc(C=O)c1 ZINC000830134169 587537776 /nfs/dbraw/zinc/53/77/76/587537776.db2.gz BIDCPMDNOXYOLU-NSHDSACASA-N 1 2 233.271 0.328 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1cncc(C=O)c1 ZINC000830134169 587537778 /nfs/dbraw/zinc/53/77/78/587537778.db2.gz BIDCPMDNOXYOLU-NSHDSACASA-N 1 2 233.271 0.328 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C=O)cn1 ZINC000830135080 587537984 /nfs/dbraw/zinc/53/79/84/587537984.db2.gz JZDJMWFSEBYNRD-JTQLQIEISA-N 1 2 233.271 0.328 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C=O)cn1 ZINC000830135080 587537986 /nfs/dbraw/zinc/53/79/86/587537986.db2.gz JZDJMWFSEBYNRD-JTQLQIEISA-N 1 2 233.271 0.328 20 0 BCADLO Cc1oc(C=O)cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830135596 587538094 /nfs/dbraw/zinc/53/80/94/587538094.db2.gz PUEPWHKQMJOIQO-SECBINFHSA-N 1 2 236.271 0.834 20 0 BCADLO Cc1oc(C=O)cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830135596 587538095 /nfs/dbraw/zinc/53/80/95/587538095.db2.gz PUEPWHKQMJOIQO-SECBINFHSA-N 1 2 236.271 0.834 20 0 BCADLO Cc1cccc(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000830134147 587538145 /nfs/dbraw/zinc/53/81/45/587538145.db2.gz BDXGVORQZAJJOX-GFCCVEGCSA-N 1 2 246.310 0.998 20 0 BCADLO Cc1cccc(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000830134147 587538147 /nfs/dbraw/zinc/53/81/47/587538147.db2.gz BDXGVORQZAJJOX-GFCCVEGCSA-N 1 2 246.310 0.998 20 0 BCADLO CCOC(=O)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830174977 587540052 /nfs/dbraw/zinc/54/00/52/587540052.db2.gz RTYZYHYKJCIIHB-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000830223082 587542235 /nfs/dbraw/zinc/54/22/35/587542235.db2.gz NHFAMQZLOFTJIB-ZVECUQNESA-N 1 2 235.287 0.584 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](CO)CC1 ZINC000830372935 587548269 /nfs/dbraw/zinc/54/82/69/587548269.db2.gz LWVZGHZYPJYYED-AOOOYVTPSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CCO)C1CC1 ZINC000830373194 587548460 /nfs/dbraw/zinc/54/84/60/587548460.db2.gz RYKUFZQJMWAVHU-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000830397330 587549359 /nfs/dbraw/zinc/54/93/59/587549359.db2.gz SELZZZOAMASBEB-ZETCQYMHSA-N 1 2 239.279 0.236 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000830397330 587549360 /nfs/dbraw/zinc/54/93/60/587549360.db2.gz SELZZZOAMASBEB-ZETCQYMHSA-N 1 2 239.279 0.236 20 0 BCADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)c(=O)n(C)c1 ZINC000830437573 587551423 /nfs/dbraw/zinc/55/14/23/587551423.db2.gz NMRRZYUAWYRBSP-UHFFFAOYSA-N 1 2 246.270 0.598 20 0 BCADLO CC(C)(C)OC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830517843 587555502 /nfs/dbraw/zinc/55/55/02/587555502.db2.gz BEIAEYWBQVKFPI-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO COC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000830889367 587575039 /nfs/dbraw/zinc/57/50/39/587575039.db2.gz HPQCMFGDXJYIPP-SECBINFHSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](NC(=O)OC1CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000830908579 587576908 /nfs/dbraw/zinc/57/69/08/587576908.db2.gz LLDDBSKBZAKSDH-ONGXEEELSA-N 1 2 242.319 0.984 20 0 BCADLO C[C@H](NC(=O)OC1CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000830908579 587576909 /nfs/dbraw/zinc/57/69/09/587576909.db2.gz LLDDBSKBZAKSDH-ONGXEEELSA-N 1 2 242.319 0.984 20 0 BCADLO C[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830935277 587577888 /nfs/dbraw/zinc/57/78/88/587577888.db2.gz UQGYVSNCRXNISQ-SNVBAGLBSA-N 1 2 237.303 0.897 20 0 BCADLO C[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830935277 587577889 /nfs/dbraw/zinc/57/78/89/587577889.db2.gz UQGYVSNCRXNISQ-SNVBAGLBSA-N 1 2 237.303 0.897 20 0 BCADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000831193113 587590844 /nfs/dbraw/zinc/59/08/44/587590844.db2.gz CVVSMUULTGYYPU-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO CCc1nnc([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000831442605 587607378 /nfs/dbraw/zinc/60/73/78/587607378.db2.gz AOVPXEXJLIOMGX-ZETCQYMHSA-N 1 2 248.290 0.510 20 0 BCADLO CC[C@]1(C)COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831614032 587624165 /nfs/dbraw/zinc/62/41/65/587624165.db2.gz VGXJGJGEPVYSDB-GFCCVEGCSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCCCCCO ZINC000831716312 587629141 /nfs/dbraw/zinc/62/91/41/587629141.db2.gz FUNMPIVQEOBPGD-UHFFFAOYSA-N 1 2 225.292 0.621 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832345946 587655438 /nfs/dbraw/zinc/65/54/38/587655438.db2.gz OMCGUGNFFIFSNA-GKQMSVHHSA-N 1 2 223.276 0.396 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832345947 587655541 /nfs/dbraw/zinc/65/55/41/587655541.db2.gz OMCGUGNFFIFSNA-HPOULIHZSA-N 1 2 223.276 0.396 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000832486424 587662975 /nfs/dbraw/zinc/66/29/75/587662975.db2.gz STXYULYLCWEBCF-DTORHVGOSA-N 1 2 233.271 0.675 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000832521779 587664666 /nfs/dbraw/zinc/66/46/66/587664666.db2.gz GMDOENVKGDEHIA-JGVFFNPUSA-N 1 2 223.276 0.228 20 0 BCADLO CCOC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832532129 587664843 /nfs/dbraw/zinc/66/48/43/587664843.db2.gz MIRWSBZFCIGTAR-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CN(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000832551110 587665928 /nfs/dbraw/zinc/66/59/28/587665928.db2.gz YZEHYUSAIZRUIM-VIFPVBQESA-N 1 2 217.288 0.692 20 0 BCADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000832551110 587665930 /nfs/dbraw/zinc/66/59/30/587665930.db2.gz YZEHYUSAIZRUIM-VIFPVBQESA-N 1 2 217.288 0.692 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)c2cnn(C)c2)c[nH+]1 ZINC000832589593 587668197 /nfs/dbraw/zinc/66/81/97/587668197.db2.gz MKEBMWRRXWEHCE-UHFFFAOYSA-N 1 2 247.258 0.064 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC=CO1 ZINC000832644516 587672802 /nfs/dbraw/zinc/67/28/02/587672802.db2.gz CQFNIROSNVUBRO-VIFPVBQESA-N 1 2 221.260 0.761 20 0 BCADLO CCC[C@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000832642903 587672822 /nfs/dbraw/zinc/67/28/22/587672822.db2.gz LTEAIWHVUDWJKC-VIFPVBQESA-N 1 2 225.292 0.999 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ncsc2C1 ZINC000832712304 587678454 /nfs/dbraw/zinc/67/84/54/587678454.db2.gz JEWGUSDGSHNGDT-UHFFFAOYSA-N 1 2 248.311 0.994 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1c[nH+]cn1C ZINC000832850942 587693573 /nfs/dbraw/zinc/69/35/73/587693573.db2.gz SUGYGIITKYZXGJ-LLVKDONJSA-N 1 2 239.319 0.978 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C2CC2)C1 ZINC000867105375 587745713 /nfs/dbraw/zinc/74/57/13/587745713.db2.gz NFMTWEUUJCUBCC-GXSJLCMTSA-N 1 2 235.287 0.702 20 0 BCADLO O=C([O-])N[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834180626 587748253 /nfs/dbraw/zinc/74/82/53/587748253.db2.gz FUXYIIQDZUTPKE-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834180626 587748254 /nfs/dbraw/zinc/74/82/54/587748254.db2.gz FUXYIIQDZUTPKE-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])NC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834226625 587749072 /nfs/dbraw/zinc/74/90/72/587749072.db2.gz ZNMQZJAQKNOWRA-JTQLQIEISA-N 1 2 238.291 0.473 20 0 BCADLO O=C([O-])NC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834226625 587749073 /nfs/dbraw/zinc/74/90/73/587749073.db2.gz ZNMQZJAQKNOWRA-JTQLQIEISA-N 1 2 238.291 0.473 20 0 BCADLO O=C([O-])NCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000834240179 587749755 /nfs/dbraw/zinc/74/97/55/587749755.db2.gz SJHGRVJAVROKDU-SECBINFHSA-N 1 2 238.291 0.857 20 0 BCADLO O=C([O-])NCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000834240179 587749756 /nfs/dbraw/zinc/74/97/56/587749756.db2.gz SJHGRVJAVROKDU-SECBINFHSA-N 1 2 238.291 0.857 20 0 BCADLO CC[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000834356159 587753063 /nfs/dbraw/zinc/75/30/63/587753063.db2.gz UBUGMRQYMIBPBZ-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000834374118 587753419 /nfs/dbraw/zinc/75/34/19/587753419.db2.gz YHFWROSRZZHKCB-SRVKXCTJSA-N 1 2 249.314 0.957 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@H]2CC2(F)F)C1 ZINC000835319357 587796275 /nfs/dbraw/zinc/79/62/75/587796275.db2.gz JHWHZQNAMHZYRD-SECBINFHSA-N 1 2 249.257 0.906 20 0 BCADLO CC(C)[C@@H]1CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867231085 587875315 /nfs/dbraw/zinc/87/53/15/587875315.db2.gz ZICJXAKHHBXFTG-UWVGGRQHSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cc(C=O)c[nH]2)C1 ZINC000837540299 587880274 /nfs/dbraw/zinc/88/02/74/587880274.db2.gz AVVNRVSLVLXYOT-UHFFFAOYSA-N 1 2 235.287 0.650 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCOC2)C1 ZINC000837545403 587880715 /nfs/dbraw/zinc/88/07/15/587880715.db2.gz FPRZKMWOSBBJQE-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCOC2)C1 ZINC000837545403 587880718 /nfs/dbraw/zinc/88/07/18/587880718.db2.gz FPRZKMWOSBBJQE-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C(=O)C(C)(C)C)C1 ZINC000837545973 587880858 /nfs/dbraw/zinc/88/08/58/587880858.db2.gz CWYCTEFCPVSGNC-UHFFFAOYSA-N 1 2 226.320 0.810 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCOC2)C1 ZINC000837545398 587881027 /nfs/dbraw/zinc/88/10/27/587881027.db2.gz FPRZKMWOSBBJQE-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCOC2)C1 ZINC000837545398 587881028 /nfs/dbraw/zinc/88/10/28/587881028.db2.gz FPRZKMWOSBBJQE-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO CCn1ncc(C(=O)NC2C[NH+](C(C)C)C2)n1 ZINC000837541716 587881045 /nfs/dbraw/zinc/88/10/45/587881045.db2.gz KQZMLHUBGNAOML-UHFFFAOYSA-N 1 2 237.307 0.120 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC(F)(F)C1 ZINC000867238962 587898936 /nfs/dbraw/zinc/89/89/36/587898936.db2.gz GILJMOLGSSIETM-ZETCQYMHSA-N 1 2 231.202 0.311 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC=CCC1 ZINC000867263725 587956991 /nfs/dbraw/zinc/95/69/91/587956991.db2.gz SVWLXIIQWUYQBS-PLNGDYQASA-N 1 2 236.315 0.663 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC[C@@H](C)O ZINC000842025922 587989935 /nfs/dbraw/zinc/98/99/35/587989935.db2.gz ZBZZTYGVVHXEHK-MRVPVSSYSA-N 1 2 204.270 0.681 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC[C@H](C)O ZINC000842025923 587990047 /nfs/dbraw/zinc/99/00/47/587990047.db2.gz ZBZZTYGVVHXEHK-QMMMGPOBSA-N 1 2 204.270 0.681 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)N(C)C(C)C ZINC000842036992 587992089 /nfs/dbraw/zinc/99/20/89/587992089.db2.gz SLBQAQMYHITSIS-DTWKUNHWSA-N 1 2 245.323 0.775 20 0 BCADLO CC[C@@H](COC(=O)[C@@H]1C[N@H+](CC)CCO1)OC ZINC000842081374 587996913 /nfs/dbraw/zinc/99/69/13/587996913.db2.gz UXSUOTHNXFVCPC-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](COC(=O)[C@@H]1C[N@@H+](CC)CCO1)OC ZINC000842081374 587996915 /nfs/dbraw/zinc/99/69/15/587996915.db2.gz UXSUOTHNXFVCPC-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC(F)(F)C1 ZINC000867284939 587999582 /nfs/dbraw/zinc/99/95/82/587999582.db2.gz VPXNGHKMEWCBJT-OWOJBTEDSA-N 1 2 246.257 0.352 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000842634855 588045472 /nfs/dbraw/zinc/04/54/72/588045472.db2.gz HXXSHLBTWACWPW-ZJUUUORDSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000842634855 588045473 /nfs/dbraw/zinc/04/54/73/588045473.db2.gz HXXSHLBTWACWPW-ZJUUUORDSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1CCSC1=O ZINC000842631592 588046849 /nfs/dbraw/zinc/04/68/49/588046849.db2.gz PDHIGJFCPSMUGD-UHFFFAOYSA-N 1 2 231.321 0.181 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1CCSC1=O ZINC000842631592 588046851 /nfs/dbraw/zinc/04/68/51/588046851.db2.gz PDHIGJFCPSMUGD-UHFFFAOYSA-N 1 2 231.321 0.181 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000842634408 588047628 /nfs/dbraw/zinc/04/76/28/588047628.db2.gz CXYZTOMILWNQBV-MNOVXSKESA-N 1 2 239.319 0.023 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000842634408 588047630 /nfs/dbraw/zinc/04/76/30/588047630.db2.gz CXYZTOMILWNQBV-MNOVXSKESA-N 1 2 239.319 0.023 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842654954 588049950 /nfs/dbraw/zinc/04/99/50/588049950.db2.gz AGLDCFQPJNBYKC-ZJUUUORDSA-N 1 2 246.307 0.715 20 0 BCADLO CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842656086 588050087 /nfs/dbraw/zinc/05/00/87/588050087.db2.gz JFCZPVWZUFBZGI-MRVPVSSYSA-N 1 2 202.254 0.700 20 0 BCADLO CCOCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842662565 588050921 /nfs/dbraw/zinc/05/09/21/588050921.db2.gz UKJVHSQLOITXHX-JTQLQIEISA-N 1 2 246.307 0.574 20 0 BCADLO CC[NH2+]Cc1noc(COCCCOC)n1 ZINC000843144639 588086018 /nfs/dbraw/zinc/08/60/18/588086018.db2.gz FORTWVQXQJRRGS-UHFFFAOYSA-N 1 2 229.280 0.732 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000843402335 588106513 /nfs/dbraw/zinc/10/65/13/588106513.db2.gz BVXYUGBWRSWFTF-SFYZADRCSA-N 1 2 226.280 0.403 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(F)CC1 ZINC000843767286 588138761 /nfs/dbraw/zinc/13/87/61/588138761.db2.gz DGRIIAQHQTVTPN-MRVPVSSYSA-N 1 2 211.240 0.890 20 0 BCADLO C[C@@H](NC(=O)C1(F)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000843791162 588140164 /nfs/dbraw/zinc/14/01/64/588140164.db2.gz OSKUDPBXQZYDPR-NXEZZACHSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)C2)CC[N@@H+]1C ZINC000843806035 588141631 /nfs/dbraw/zinc/14/16/31/588141631.db2.gz LMGDQEXWZQSZMP-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)C2)CC[N@H+]1C ZINC000843806035 588141633 /nfs/dbraw/zinc/14/16/33/588141633.db2.gz LMGDQEXWZQSZMP-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO COC/C(C)=C\C(=O)N(C)Cc1[nH+]ccn1C ZINC000844302300 588182581 /nfs/dbraw/zinc/18/25/81/588182581.db2.gz HKIIYSUWPDIPQL-YFHOEESVSA-N 1 2 237.303 0.971 20 0 BCADLO C[C@H]1CC[C@@H]([N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333202 588185677 /nfs/dbraw/zinc/18/56/77/588185677.db2.gz GNJJBQSLGMPFNK-VHSXEESVSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@H]1CC[C@@H]([N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333202 588185679 /nfs/dbraw/zinc/18/56/79/588185679.db2.gz GNJJBQSLGMPFNK-VHSXEESVSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@@H]1CC[C@@H]([N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333200 588185903 /nfs/dbraw/zinc/18/59/03/588185903.db2.gz GNJJBQSLGMPFNK-NXEZZACHSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@@H]1CC[C@@H]([N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333200 588185904 /nfs/dbraw/zinc/18/59/04/588185904.db2.gz GNJJBQSLGMPFNK-NXEZZACHSA-N 1 2 236.319 0.775 20 0 BCADLO Cn1ncc(C[NH+]2CCC(C3(O)CC3)CC2)n1 ZINC000844362894 588187820 /nfs/dbraw/zinc/18/78/20/588187820.db2.gz LVIOQWXKNYEFBR-UHFFFAOYSA-N 1 2 236.319 0.552 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844392909 588189402 /nfs/dbraw/zinc/18/94/02/588189402.db2.gz GWYSUMWXBGYPOI-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844392909 588189404 /nfs/dbraw/zinc/18/94/04/588189404.db2.gz GWYSUMWXBGYPOI-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC000844431881 588192198 /nfs/dbraw/zinc/19/21/98/588192198.db2.gz YDSSXTFIZUTXRB-HXBVLWIHSA-N 1 2 205.710 0.944 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC000844431881 588192197 /nfs/dbraw/zinc/19/21/97/588192197.db2.gz YDSSXTFIZUTXRB-HXBVLWIHSA-N 1 2 205.710 0.944 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844431808 588192189 /nfs/dbraw/zinc/19/21/89/588192189.db2.gz WLIVBOFGNGZCIA-QXQOWCCISA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844431808 588192191 /nfs/dbraw/zinc/19/21/91/588192191.db2.gz WLIVBOFGNGZCIA-QXQOWCCISA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431807 588192202 /nfs/dbraw/zinc/19/22/02/588192202.db2.gz WLIVBOFGNGZCIA-VWBAKQOVSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431807 588192204 /nfs/dbraw/zinc/19/22/04/588192204.db2.gz WLIVBOFGNGZCIA-VWBAKQOVSA-N 1 2 243.328 0.311 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000844466315 588197621 /nfs/dbraw/zinc/19/76/21/588197621.db2.gz RAUIMSGGMJCRJZ-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000844466315 588197622 /nfs/dbraw/zinc/19/76/22/588197622.db2.gz RAUIMSGGMJCRJZ-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO COC/C(C)=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000844561867 588202814 /nfs/dbraw/zinc/20/28/14/588202814.db2.gz AHJWEUKPFWSUAL-POHAHGRESA-N 1 2 237.303 0.672 20 0 BCADLO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC(C)(C)C ZINC000844631693 588211413 /nfs/dbraw/zinc/21/14/13/588211413.db2.gz JYWNRKOJYRRXDL-HLTSFMKQSA-N 1 2 242.319 0.570 20 0 BCADLO Cc1nn(C[N@@H+](CC(C)C)C2CC2)c(=O)n1C ZINC000844684201 588213643 /nfs/dbraw/zinc/21/36/43/588213643.db2.gz HEMISZKAEOXOMH-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@H+](CC(C)C)C2CC2)c(=O)n1C ZINC000844684201 588213645 /nfs/dbraw/zinc/21/36/45/588213645.db2.gz HEMISZKAEOXOMH-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@@H+]2CC(C)=C[C@H](C)C2)c(=O)n1C ZINC000844705132 588214243 /nfs/dbraw/zinc/21/42/43/588214243.db2.gz QMXUKIHIHYGGLV-VIFPVBQESA-N 1 2 236.319 0.746 20 0 BCADLO Cc1nn(C[N@H+]2CC(C)=C[C@H](C)C2)c(=O)n1C ZINC000844705132 588214244 /nfs/dbraw/zinc/21/42/44/588214244.db2.gz QMXUKIHIHYGGLV-VIFPVBQESA-N 1 2 236.319 0.746 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=O)n1C ZINC000844697941 588214426 /nfs/dbraw/zinc/21/44/26/588214426.db2.gz ILHNXFCSTVFPDT-BDAKNGLRSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=O)n1C ZINC000844697941 588214428 /nfs/dbraw/zinc/21/44/28/588214428.db2.gz ILHNXFCSTVFPDT-BDAKNGLRSA-N 1 2 224.308 0.578 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000845206880 588223579 /nfs/dbraw/zinc/22/35/79/588223579.db2.gz AWNLSQSKVDUIQK-CDCCAWJDSA-N 1 2 237.303 0.981 20 0 BCADLO CCNC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278334 588225144 /nfs/dbraw/zinc/22/51/44/588225144.db2.gz UGDBJKZTFFHWSP-VIFPVBQESA-N 1 2 239.275 0.514 20 0 BCADLO COC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845275075 588225286 /nfs/dbraw/zinc/22/52/86/588225286.db2.gz CKDQAFYJTJYTKW-QMMMGPOBSA-N 1 2 226.232 0.550 20 0 BCADLO COC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280151 588225572 /nfs/dbraw/zinc/22/55/72/588225572.db2.gz SLVXERVQHFCSJX-BDAKNGLRSA-N 1 2 240.259 0.939 20 0 BCADLO COCC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284851 588225888 /nfs/dbraw/zinc/22/58/88/588225888.db2.gz OSKAVZUELINPTA-SECBINFHSA-N 1 2 240.259 0.593 20 0 BCADLO COC/C(C)=C/C(=O)NCc1[nH+]ccn1C ZINC000845434592 588229466 /nfs/dbraw/zinc/22/94/66/588229466.db2.gz QPUFBNYXQQUVJT-RMKNXTFCSA-N 1 2 223.276 0.629 20 0 BCADLO CON(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000867396560 588245872 /nfs/dbraw/zinc/24/58/72/588245872.db2.gz YUYCBRHSZJUVJC-SNVBAGLBSA-N 1 2 239.275 0.776 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000845849036 588247343 /nfs/dbraw/zinc/24/73/43/588247343.db2.gz XGVWRDXJJBLLBT-NAZIUFLLSA-N 1 2 249.314 0.976 20 0 BCADLO COCC(C)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000845849036 588247344 /nfs/dbraw/zinc/24/73/44/588247344.db2.gz XGVWRDXJJBLLBT-NAZIUFLLSA-N 1 2 249.314 0.976 20 0 BCADLO C[C@@H](CC(=O)N[C@H](CO)C1CC1)n1cc[nH+]c1 ZINC000845908432 588249993 /nfs/dbraw/zinc/24/99/93/588249993.db2.gz KRNVDRNVNSRTNX-GXSJLCMTSA-N 1 2 237.303 0.721 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1[nH]ncc1C ZINC000846063386 588255084 /nfs/dbraw/zinc/25/50/84/588255084.db2.gz NMNJZKWBUPJQIC-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000846063386 588255085 /nfs/dbraw/zinc/25/50/85/588255085.db2.gz NMNJZKWBUPJQIC-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCO[N-]C(=O)C[NH2+]Cc1c[nH+]cn1CC ZINC000846081119 588255601 /nfs/dbraw/zinc/25/56/01/588255601.db2.gz KOPQWQWBVVHDPE-UHFFFAOYSA-N 1 2 226.280 0.060 20 0 BCADLO CCONC(=O)C[NH2+]CC(C)(C)COC ZINC000846087810 588255851 /nfs/dbraw/zinc/25/58/51/588255851.db2.gz UEBYOFKGVCGOJN-UHFFFAOYSA-N 1 2 218.297 0.316 20 0 BCADLO CCONC(=O)C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000846087883 588255894 /nfs/dbraw/zinc/25/58/94/588255894.db2.gz UZOGVKHWYRJJTO-QWRGUYRKSA-N 1 2 244.335 0.849 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000846082986 588255900 /nfs/dbraw/zinc/25/59/00/588255900.db2.gz QMQHSRPXRLKKLW-ILWJIGKKSA-N 1 2 230.308 0.600 20 0 BCADLO CCO[N-]C(=O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000846086238 588256083 /nfs/dbraw/zinc/25/60/83/588256083.db2.gz MVGUGTFNJXXZOU-UHFFFAOYSA-N 1 2 248.286 0.492 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000846089851 588256202 /nfs/dbraw/zinc/25/62/02/588256202.db2.gz YFIRLUPDDFSWKB-DTWKUNHWSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)CC1CC1 ZINC000846091131 588256439 /nfs/dbraw/zinc/25/64/39/588256439.db2.gz IIWZOYYEOFOJCU-QMMMGPOBSA-N 1 2 200.282 0.832 20 0 BCADLO COC/C(C)=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000846186982 588259570 /nfs/dbraw/zinc/25/95/70/588259570.db2.gz IRICWNZQEVWCIN-YHYXMXQVSA-N 1 2 235.287 0.818 20 0 BCADLO CCc1cc(NC(=O)Cn2cc[nH+]c2)nn1C ZINC000846268234 588263280 /nfs/dbraw/zinc/26/32/80/588263280.db2.gz YOLQTBLGLMOPNM-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@H](C)OC[C@@H]2C)OC1=O ZINC000846766051 588286615 /nfs/dbraw/zinc/28/66/15/588286615.db2.gz KJRLLQLJATURKE-GARJFASQSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@H](C)OC[C@@H]2C)OC1=O ZINC000846766051 588286616 /nfs/dbraw/zinc/28/66/16/588286616.db2.gz KJRLLQLJATURKE-GARJFASQSA-N 1 2 242.319 0.936 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769795 588287072 /nfs/dbraw/zinc/28/70/72/588287072.db2.gz POPYOQQCQGWLMU-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769795 588287073 /nfs/dbraw/zinc/28/70/73/588287073.db2.gz POPYOQQCQGWLMU-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1cnsn1 ZINC000846812411 588288462 /nfs/dbraw/zinc/28/84/62/588288462.db2.gz AJWQRZJNNUMZHO-SECBINFHSA-N 1 2 231.321 0.415 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1cnsn1 ZINC000846812413 588288504 /nfs/dbraw/zinc/28/85/04/588288504.db2.gz AJWQRZJNNUMZHO-VIFPVBQESA-N 1 2 231.321 0.415 20 0 BCADLO O=C1C[N@H+](Cc2ccc3nonc3c2)CCCN1 ZINC000846795413 588288993 /nfs/dbraw/zinc/28/89/93/588288993.db2.gz NRYSGDGECAWQGF-UHFFFAOYSA-N 1 2 246.270 0.545 20 0 BCADLO O=C1C[N@@H+](Cc2ccc3nonc3c2)CCCN1 ZINC000846795413 588288994 /nfs/dbraw/zinc/28/89/94/588288994.db2.gz NRYSGDGECAWQGF-UHFFFAOYSA-N 1 2 246.270 0.545 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846805601 588289539 /nfs/dbraw/zinc/28/95/39/588289539.db2.gz ZDWBTFLFFGFIQV-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846805601 588289540 /nfs/dbraw/zinc/28/95/40/588289540.db2.gz ZDWBTFLFFGFIQV-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CN(Cc1cnsn1)Cc1[nH+]ccn1C ZINC000846836817 588291910 /nfs/dbraw/zinc/29/19/10/588291910.db2.gz SIKJSTFIKUGFQP-UHFFFAOYSA-N 1 2 223.305 0.904 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)on1 ZINC000846866982 588294204 /nfs/dbraw/zinc/29/42/04/588294204.db2.gz KBWOKBNHTZZZLJ-JOYOIKCWSA-N 1 2 236.271 0.691 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)on1 ZINC000846866982 588294205 /nfs/dbraw/zinc/29/42/05/588294205.db2.gz KBWOKBNHTZZZLJ-JOYOIKCWSA-N 1 2 236.271 0.691 20 0 BCADLO CC[N@H+](CC(N)=O)CC1(Br)CC1 ZINC000846870096 588294562 /nfs/dbraw/zinc/29/45/62/588294562.db2.gz AXNIYEMTHJYFIL-UHFFFAOYSA-N 1 2 235.125 0.721 20 0 BCADLO CC[N@@H+](CC(N)=O)CC1(Br)CC1 ZINC000846870096 588294563 /nfs/dbraw/zinc/29/45/63/588294563.db2.gz AXNIYEMTHJYFIL-UHFFFAOYSA-N 1 2 235.125 0.721 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCOC[C@H]2C)OC1=O ZINC000846877863 588294742 /nfs/dbraw/zinc/29/47/42/588294742.db2.gz CYBCCYHEGSEWOX-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCOC[C@H]2C)OC1=O ZINC000846877863 588294743 /nfs/dbraw/zinc/29/47/43/588294743.db2.gz CYBCCYHEGSEWOX-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)OC)OC1=O ZINC000846888446 588295529 /nfs/dbraw/zinc/29/55/29/588295529.db2.gz OXABCJBBIWCDJY-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)OC)OC1=O ZINC000846888446 588295530 /nfs/dbraw/zinc/29/55/30/588295530.db2.gz OXABCJBBIWCDJY-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CC[C@](F)(CO)C2)OC1=O ZINC000846896282 588296182 /nfs/dbraw/zinc/29/61/82/588296182.db2.gz WAZHTVHNCDQHOB-MWLCHTKSSA-N 1 2 246.282 0.233 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CC[C@](F)(CO)C2)OC1=O ZINC000846896282 588296183 /nfs/dbraw/zinc/29/61/83/588296183.db2.gz WAZHTVHNCDQHOB-MWLCHTKSSA-N 1 2 246.282 0.233 20 0 BCADLO CC(=O)C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000846939921 588297866 /nfs/dbraw/zinc/29/78/66/588297866.db2.gz GHCHZKBEQFEDCK-QMMMGPOBSA-N 1 2 237.307 0.572 20 0 BCADLO COC(=O)[C@H](CC(C)C)[NH+]1CCN(OC)CC1 ZINC000846972873 588298538 /nfs/dbraw/zinc/29/85/38/588298538.db2.gz SWJCEQZOTDEGII-NSHDSACASA-N 1 2 244.335 0.753 20 0 BCADLO CON1CC[NH+](Cc2cccnc2N)CC1 ZINC000846970419 588298973 /nfs/dbraw/zinc/29/89/73/588298973.db2.gz FNADTDKSWFXOMQ-UHFFFAOYSA-N 1 2 222.292 0.343 20 0 BCADLO CON1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000846970255 588299149 /nfs/dbraw/zinc/29/91/49/588299149.db2.gz CEQHASHMODYERG-UHFFFAOYSA-N 1 2 222.292 0.343 20 0 BCADLO CON1CC[NH+](CCOCC(F)F)CC1 ZINC000846973456 588299455 /nfs/dbraw/zinc/29/94/55/588299455.db2.gz ZXIKGNWTCXRKGS-UHFFFAOYSA-N 1 2 224.251 0.447 20 0 BCADLO CON1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000846974812 588299595 /nfs/dbraw/zinc/29/95/95/588299595.db2.gz DNWRAKJOWBBDCJ-SNVBAGLBSA-N 1 2 222.292 0.717 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846976888 588300030 /nfs/dbraw/zinc/30/00/30/588300030.db2.gz KIMSUIYGCNKLPA-QWRGUYRKSA-N 1 2 243.351 0.469 20 0 BCADLO Cc1cnc(C[NH2+][C@]2(C(N)=O)CCOC2)s1 ZINC000847053893 588305286 /nfs/dbraw/zinc/30/52/86/588305286.db2.gz NNTIPJSYXVELDB-SNVBAGLBSA-N 1 2 241.316 0.186 20 0 BCADLO Cc1nonc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000847504981 588314565 /nfs/dbraw/zinc/31/45/65/588314565.db2.gz QPIUZJPNNRRQGK-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C1CC1 ZINC000847643891 588321510 /nfs/dbraw/zinc/32/15/10/588321510.db2.gz IOTARWGKIQVVNG-GZMMTYOYSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C1CC1 ZINC000847643891 588321512 /nfs/dbraw/zinc/32/15/12/588321512.db2.gz IOTARWGKIQVVNG-GZMMTYOYSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C1CC1 ZINC000847643893 588321792 /nfs/dbraw/zinc/32/17/92/588321792.db2.gz IOTARWGKIQVVNG-KWQFWETISA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C1CC1 ZINC000847643893 588321794 /nfs/dbraw/zinc/32/17/94/588321794.db2.gz IOTARWGKIQVVNG-KWQFWETISA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](CC(=O)O[C@H]1CNOC1)n1cc[nH+]c1 ZINC000848057501 588350586 /nfs/dbraw/zinc/35/05/86/588350586.db2.gz VJTPHCRPBMKZHU-IUCAKERBSA-N 1 2 225.248 0.281 20 0 BCADLO C=C=CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000848114083 588357155 /nfs/dbraw/zinc/35/71/55/588357155.db2.gz FDRRAEXPNDZAMB-NSHDSACASA-N 1 2 234.303 0.480 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000848114002 588357166 /nfs/dbraw/zinc/35/71/66/588357166.db2.gz OHUBPJOFZYLARE-JTQLQIEISA-N 1 2 217.272 0.903 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1=COCCO1 ZINC000848174011 588364575 /nfs/dbraw/zinc/36/45/75/588364575.db2.gz AZMBMIMUOTYYPX-UHFFFAOYSA-N 1 2 237.259 0.407 20 0 BCADLO C[C@@H]1CN=C(NC(=O)C[NH+]2CC(C)(C)C2)S1 ZINC000848232356 588366282 /nfs/dbraw/zinc/36/62/82/588366282.db2.gz DEZWANCTBOYOJQ-MRVPVSSYSA-N 1 2 241.360 0.936 20 0 BCADLO COc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000848387576 588376117 /nfs/dbraw/zinc/37/61/17/588376117.db2.gz XXQHOTIBKCRRCR-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO CC[S@@](=O)CCNc1nc[nH+]c(C)c1OC ZINC000848664200 588404188 /nfs/dbraw/zinc/40/41/88/588404188.db2.gz RYOFVZAXLGKEEA-MRXNPFEDSA-N 1 2 243.332 0.974 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@H]2C[C@@]2(CO)C1 ZINC000848687149 588405936 /nfs/dbraw/zinc/40/59/36/588405936.db2.gz UQZYTMFNCMRRCA-SKDRFNHKSA-N 1 2 235.287 0.612 20 0 BCADLO O=C1C[C@H](Nc2nc[nH+]c3c2CCC3)CO1 ZINC000848709672 588407437 /nfs/dbraw/zinc/40/74/37/588407437.db2.gz SXMCEBRZCGFANK-ZETCQYMHSA-N 1 2 219.244 0.693 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000849134866 588453499 /nfs/dbraw/zinc/45/34/99/588453499.db2.gz SXLUYMZPMJWAIN-LLVKDONJSA-N 1 2 246.270 0.310 20 0 BCADLO CC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000108353004 588460995 /nfs/dbraw/zinc/46/09/95/588460995.db2.gz LTFFAJXTENDPBR-UHFFFAOYSA-N 1 2 210.277 0.272 20 0 BCADLO CC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000108353004 588460997 /nfs/dbraw/zinc/46/09/97/588460997.db2.gz LTFFAJXTENDPBR-UHFFFAOYSA-N 1 2 210.277 0.272 20 0 BCADLO CCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849289892 588470062 /nfs/dbraw/zinc/47/00/62/588470062.db2.gz RNYVBNQEJVATLS-JTQLQIEISA-N 1 2 243.376 0.287 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC(CCOC)C1 ZINC000849328521 588473015 /nfs/dbraw/zinc/47/30/15/588473015.db2.gz LZJQDTRJHXKKMY-UHFFFAOYSA-N 1 2 235.349 0.389 20 0 BCADLO Cc1nn(Cc2[nH+]cc(Cl)n2C)c(=O)o1 ZINC000849983749 588511652 /nfs/dbraw/zinc/51/16/52/588511652.db2.gz HQOMOYNLFUTGJE-UHFFFAOYSA-N 1 2 228.639 0.580 20 0 BCADLO Cc1nn(Cc2cc[nH+]c(N(C)C)c2)c(=O)o1 ZINC000849985579 588512143 /nfs/dbraw/zinc/51/21/43/588512143.db2.gz KNPHIFBCCVSNQS-UHFFFAOYSA-N 1 2 234.259 0.654 20 0 BCADLO CCn1cnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000850183431 588524907 /nfs/dbraw/zinc/52/49/07/588524907.db2.gz OPNGDJLUSJLHDP-UHFFFAOYSA-N 1 2 234.259 0.957 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850259380 588532427 /nfs/dbraw/zinc/53/24/27/588532427.db2.gz FKLRUKQRSZYSSY-URLYPYJESA-N 1 2 236.271 0.709 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850260666 588532778 /nfs/dbraw/zinc/53/27/78/588532778.db2.gz WPDLYVAUMNMSBO-URLYPYJESA-N 1 2 236.271 0.398 20 0 BCADLO CCN(OC)C(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000850338026 588537159 /nfs/dbraw/zinc/53/71/59/588537159.db2.gz DAHZEICLFZZZPR-UHFFFAOYSA-N 1 2 240.307 0.526 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000850338026 588537161 /nfs/dbraw/zinc/53/71/61/588537161.db2.gz DAHZEICLFZZZPR-UHFFFAOYSA-N 1 2 240.307 0.526 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000851718012 588616249 /nfs/dbraw/zinc/61/62/49/588616249.db2.gz BFPCSVNTEHCTFU-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000851718012 588616250 /nfs/dbraw/zinc/61/62/50/588616250.db2.gz BFPCSVNTEHCTFU-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO c1nonc1C[NH+]1CCC2(CC1)OCCO2 ZINC000851727732 588618418 /nfs/dbraw/zinc/61/84/18/588618418.db2.gz VZMUAFYGUNXRLD-UHFFFAOYSA-N 1 2 225.248 0.409 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(F)n1 ZINC000851730614 588619018 /nfs/dbraw/zinc/61/90/18/588619018.db2.gz FHJNKLFEQUNTSQ-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(F)n1 ZINC000851730614 588619019 /nfs/dbraw/zinc/61/90/19/588619019.db2.gz FHJNKLFEQUNTSQ-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CCNC(=O)C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851731421 588619584 /nfs/dbraw/zinc/61/95/84/588619584.db2.gz PSWXKMPUFJTULA-LLVKDONJSA-N 1 2 237.303 0.183 20 0 BCADLO CCNC(=O)C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851731421 588619585 /nfs/dbraw/zinc/61/95/85/588619585.db2.gz PSWXKMPUFJTULA-LLVKDONJSA-N 1 2 237.303 0.183 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOC(F)F ZINC000851741096 588621187 /nfs/dbraw/zinc/62/11/87/588621187.db2.gz FEDGVJZLXNHZKP-UHFFFAOYSA-N 1 2 211.208 0.721 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOC(F)F ZINC000851741096 588621188 /nfs/dbraw/zinc/62/11/88/588621188.db2.gz FEDGVJZLXNHZKP-UHFFFAOYSA-N 1 2 211.208 0.721 20 0 BCADLO CCOC(=O)C[N@H+](CCc1c[nH]nn1)C(C)C ZINC000851744383 588621389 /nfs/dbraw/zinc/62/13/89/588621389.db2.gz DEJUNKKYGHECEZ-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CCOC(=O)C[N@@H+](CCc1c[nH]nn1)C(C)C ZINC000851744383 588621390 /nfs/dbraw/zinc/62/13/90/588621390.db2.gz DEJUNKKYGHECEZ-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CCOC(=O)C[N@H+](CCc1cn[nH]n1)C(C)C ZINC000851744383 588621391 /nfs/dbraw/zinc/62/13/91/588621391.db2.gz DEJUNKKYGHECEZ-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CCOC(=O)C[N@@H+](CCc1cn[nH]n1)C(C)C ZINC000851744383 588621392 /nfs/dbraw/zinc/62/13/92/588621392.db2.gz DEJUNKKYGHECEZ-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1COC(C)(C)O1 ZINC000851749995 588623328 /nfs/dbraw/zinc/62/33/28/588623328.db2.gz TVVXJJNCXLIXQT-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1COC(C)(C)O1 ZINC000851749995 588623329 /nfs/dbraw/zinc/62/33/29/588623329.db2.gz TVVXJJNCXLIXQT-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO O=C1C[N@@H+](CCOC(F)F)[C@@H]2CCCC[C@@H]2N1 ZINC000851808800 588632198 /nfs/dbraw/zinc/63/21/98/588632198.db2.gz QBEPGYWUNJUSMY-DTWKUNHWSA-N 1 2 248.273 0.969 20 0 BCADLO O=C1C[N@H+](CCOC(F)F)[C@@H]2CCCC[C@@H]2N1 ZINC000851808800 588632199 /nfs/dbraw/zinc/63/21/99/588632199.db2.gz QBEPGYWUNJUSMY-DTWKUNHWSA-N 1 2 248.273 0.969 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOC(F)F ZINC000851812556 588632767 /nfs/dbraw/zinc/63/27/67/588632767.db2.gz KJKUFNRSSSGJTR-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOC(F)F ZINC000851812556 588632768 /nfs/dbraw/zinc/63/27/68/588632768.db2.gz KJKUFNRSSSGJTR-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO c1nonc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000851816458 588633017 /nfs/dbraw/zinc/63/30/17/588633017.db2.gz HEHHMTYGKJQHSR-UWVGGRQHSA-N 1 2 241.316 0.776 20 0 BCADLO c1nonc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000851816458 588633018 /nfs/dbraw/zinc/63/30/18/588633018.db2.gz HEHHMTYGKJQHSR-UWVGGRQHSA-N 1 2 241.316 0.776 20 0 BCADLO CC(=O)N1CC[N@H+](CCOC(F)F)[C@@H](C)C1 ZINC000851814538 588633102 /nfs/dbraw/zinc/63/31/02/588633102.db2.gz SXAYWXVOGCXCDH-QMMMGPOBSA-N 1 2 236.262 0.778 20 0 BCADLO CC(=O)N1CC[N@@H+](CCOC(F)F)[C@@H](C)C1 ZINC000851814538 588633103 /nfs/dbraw/zinc/63/31/03/588633103.db2.gz SXAYWXVOGCXCDH-QMMMGPOBSA-N 1 2 236.262 0.778 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC(=O)O1)C(C)(C)C ZINC000851853212 588635306 /nfs/dbraw/zinc/63/53/06/588635306.db2.gz GFPDSNAQWVNCFS-SCZZXKLOSA-N 1 2 243.303 0.869 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2cnon2)CC1 ZINC000851864709 588636300 /nfs/dbraw/zinc/63/63/00/588636300.db2.gz IQGLIGLOWSARKY-UHFFFAOYSA-N 1 2 225.248 0.597 20 0 BCADLO CC[N@H+](CCOC(F)F)CCS(C)(=O)=O ZINC000851867154 588636896 /nfs/dbraw/zinc/63/68/96/588636896.db2.gz ZDVOLGJDBCSBQX-UHFFFAOYSA-N 1 2 245.291 0.592 20 0 BCADLO CC[N@@H+](CCOC(F)F)CCS(C)(=O)=O ZINC000851867154 588636897 /nfs/dbraw/zinc/63/68/97/588636897.db2.gz ZDVOLGJDBCSBQX-UHFFFAOYSA-N 1 2 245.291 0.592 20 0 BCADLO COCC1(O)CC[NH+](Cc2cnon2)CC1 ZINC000851870246 588637136 /nfs/dbraw/zinc/63/71/36/588637136.db2.gz BHHFPTPTXNFZBE-UHFFFAOYSA-N 1 2 227.264 0.043 20 0 BCADLO COC(CC[N@H+](C)Cc1ncc[nH]1)OC ZINC000851873976 588637951 /nfs/dbraw/zinc/63/79/51/588637951.db2.gz WGVISLHYSPLCGC-UHFFFAOYSA-N 1 2 213.281 0.851 20 0 BCADLO COC(CC[N@@H+](C)Cc1ncc[nH]1)OC ZINC000851873976 588637952 /nfs/dbraw/zinc/63/79/52/588637952.db2.gz WGVISLHYSPLCGC-UHFFFAOYSA-N 1 2 213.281 0.851 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1CCOC(F)F ZINC000851883460 588639574 /nfs/dbraw/zinc/63/95/74/588639574.db2.gz FSCULXDEKBSUCP-ZCFIWIBFSA-N 1 2 240.275 0.128 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1CCOC(F)F ZINC000851883460 588639575 /nfs/dbraw/zinc/63/95/75/588639575.db2.gz FSCULXDEKBSUCP-ZCFIWIBFSA-N 1 2 240.275 0.128 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](C[C@@H]1CCC(=O)O1)CC2 ZINC000851919532 588643448 /nfs/dbraw/zinc/64/34/48/588643448.db2.gz LCPHOJWAVLPADS-JTQLQIEISA-N 1 2 235.287 0.713 20 0 BCADLO Cc1cn2c(n1)C[N@H+](C[C@@H]1CCC(=O)O1)CC2 ZINC000851919532 588643449 /nfs/dbraw/zinc/64/34/49/588643449.db2.gz LCPHOJWAVLPADS-JTQLQIEISA-N 1 2 235.287 0.713 20 0 BCADLO CCn1ncc(CN2CCn3cc(C)[nH+]c3C2)n1 ZINC000851919887 588643674 /nfs/dbraw/zinc/64/36/74/588643674.db2.gz QDCMBDJPOUCMEP-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CC1(CO)CC[NH+](Cc2cnon2)CC1 ZINC000851938003 588646047 /nfs/dbraw/zinc/64/60/47/588646047.db2.gz GZJIMTKWNMKNOU-UHFFFAOYSA-N 1 2 211.265 0.664 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851940702 588646410 /nfs/dbraw/zinc/64/64/10/588646410.db2.gz DGCQTJPELDBBTP-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851940702 588646411 /nfs/dbraw/zinc/64/64/11/588646411.db2.gz DGCQTJPELDBBTP-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCC1=O ZINC000851951368 588647325 /nfs/dbraw/zinc/64/73/25/588647325.db2.gz DAPWBYXRJQRZCB-RKDXNWHRSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CCC1=O ZINC000851951368 588647326 /nfs/dbraw/zinc/64/73/26/588647326.db2.gz DAPWBYXRJQRZCB-RKDXNWHRSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851957236 588647915 /nfs/dbraw/zinc/64/79/15/588647915.db2.gz MZRZAUHTSCNSCK-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851957236 588647916 /nfs/dbraw/zinc/64/79/16/588647916.db2.gz MZRZAUHTSCNSCK-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851958112 588648171 /nfs/dbraw/zinc/64/81/71/588648171.db2.gz XKPCMVHUJFYRAA-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851958112 588648172 /nfs/dbraw/zinc/64/81/72/588648172.db2.gz XKPCMVHUJFYRAA-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ncn(C)n1 ZINC000851964566 588648204 /nfs/dbraw/zinc/64/82/04/588648204.db2.gz CSEQFXRMNGWHNC-RKDXNWHRSA-N 1 2 240.307 0.617 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCO[C@H]1CC1(F)F ZINC000851968914 588649194 /nfs/dbraw/zinc/64/91/94/588649194.db2.gz VAZXWHUZPPFZJV-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCO[C@H]1CC1(F)F ZINC000851968914 588649195 /nfs/dbraw/zinc/64/91/95/588649195.db2.gz VAZXWHUZPPFZJV-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1C ZINC000851970475 588649570 /nfs/dbraw/zinc/64/95/70/588649570.db2.gz GGXJFLRGOYMGPH-SCZZXKLOSA-N 1 2 211.265 0.926 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1C ZINC000851970475 588649571 /nfs/dbraw/zinc/64/95/71/588649571.db2.gz GGXJFLRGOYMGPH-SCZZXKLOSA-N 1 2 211.265 0.926 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnon1 ZINC000851975307 588650118 /nfs/dbraw/zinc/65/01/18/588650118.db2.gz PGDCZDTYKGZKFE-QNSHHTMESA-N 1 2 236.275 0.155 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnon1 ZINC000851975307 588650119 /nfs/dbraw/zinc/65/01/19/588650119.db2.gz PGDCZDTYKGZKFE-QNSHHTMESA-N 1 2 236.275 0.155 20 0 BCADLO O=c1[nH]ccc2c1C[N@H+](Cc1cnon1)CC2 ZINC000851984514 588651418 /nfs/dbraw/zinc/65/14/18/588651418.db2.gz MVEBRVHRTZRGBY-UHFFFAOYSA-N 1 2 232.243 0.729 20 0 BCADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cnon1)CC2 ZINC000851984514 588651419 /nfs/dbraw/zinc/65/14/19/588651419.db2.gz MVEBRVHRTZRGBY-UHFFFAOYSA-N 1 2 232.243 0.729 20 0 BCADLO COC1(CO)CC[NH+](Cc2cnon2)CC1 ZINC000851992254 588652941 /nfs/dbraw/zinc/65/29/41/588652941.db2.gz JZPZAJDCHNCFOX-UHFFFAOYSA-N 1 2 227.264 0.043 20 0 BCADLO CC(C)C1(O)C[NH+](C[C@H](O)c2ccccn2)C1 ZINC000851991573 588653204 /nfs/dbraw/zinc/65/32/04/588653204.db2.gz QZYWCTDVTMVTIJ-LBPRGKRZSA-N 1 2 236.315 0.818 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000852003660 588654494 /nfs/dbraw/zinc/65/44/94/588654494.db2.gz AJHIIVFREOZQER-HTQZYQBOSA-N 1 2 215.249 0.185 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000852003660 588654495 /nfs/dbraw/zinc/65/44/95/588654495.db2.gz AJHIIVFREOZQER-HTQZYQBOSA-N 1 2 215.249 0.185 20 0 BCADLO FC(F)OCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000852014130 588655494 /nfs/dbraw/zinc/65/54/94/588655494.db2.gz ZMUNBIDKBBQQLP-JTQLQIEISA-N 1 2 237.246 0.717 20 0 BCADLO FC(F)OCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000852014130 588655495 /nfs/dbraw/zinc/65/54/95/588655495.db2.gz ZMUNBIDKBBQQLP-JTQLQIEISA-N 1 2 237.246 0.717 20 0 BCADLO CC1(C)OC[C@H](CC[NH2+][C@]2(C)CCOC2=O)O1 ZINC000852062939 588658470 /nfs/dbraw/zinc/65/84/70/588658470.db2.gz MNRHMFCCEHDPGN-JOYOIKCWSA-N 1 2 243.303 0.823 20 0 BCADLO CO[C@H](C[NH2+][C@]1(C)CCOC1=O)[C@@H]1CCOC1 ZINC000852062407 588658516 /nfs/dbraw/zinc/65/85/16/588658516.db2.gz DQBZKDOEAJGGHO-CKYFFXLPSA-N 1 2 243.303 0.333 20 0 BCADLO Cc1nc(C[N@@H+]2CCCN(C=O)CC2)co1 ZINC000852072791 588659178 /nfs/dbraw/zinc/65/91/78/588659178.db2.gz JCSPAPXIIYXKOP-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1nc(C[N@H+]2CCCN(C=O)CC2)co1 ZINC000852072791 588659179 /nfs/dbraw/zinc/65/91/79/588659179.db2.gz JCSPAPXIIYXKOP-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1nc(C[N@@H+]2CCCN(C=O)CC2)c(C)o1 ZINC000852072886 588659260 /nfs/dbraw/zinc/65/92/60/588659260.db2.gz LQEPHPKREBBCNH-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCCN(C=O)CC2)c(C)o1 ZINC000852072886 588659261 /nfs/dbraw/zinc/65/92/61/588659261.db2.gz LQEPHPKREBBCNH-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000852078487 588660315 /nfs/dbraw/zinc/66/03/15/588660315.db2.gz CONBDSCSMHSUOU-ZJUUUORDSA-N 1 2 245.319 0.674 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000852078487 588660316 /nfs/dbraw/zinc/66/03/16/588660316.db2.gz CONBDSCSMHSUOU-ZJUUUORDSA-N 1 2 245.319 0.674 20 0 BCADLO CON1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000852144213 588666901 /nfs/dbraw/zinc/66/69/01/588666901.db2.gz MSMXBITZZPSTSG-UHFFFAOYSA-N 1 2 225.267 0.900 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000852142441 588666953 /nfs/dbraw/zinc/66/69/53/588666953.db2.gz ZBUBHMUERZHHQH-PSASIEDQSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000852142441 588666954 /nfs/dbraw/zinc/66/69/54/588666954.db2.gz ZBUBHMUERZHHQH-PSASIEDQSA-N 1 2 210.281 0.253 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1cnn(CC)n1 ZINC000852155314 588667895 /nfs/dbraw/zinc/66/78/95/588667895.db2.gz DNCKCZPPHYOSLB-UHFFFAOYSA-N 1 2 239.323 0.302 20 0 BCADLO COC(CC[N@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000852186372 588670320 /nfs/dbraw/zinc/67/03/20/588670320.db2.gz DZSGXGKMQQKDTA-UHFFFAOYSA-N 1 2 231.252 0.216 20 0 BCADLO COC(CC[N@@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000852186372 588670321 /nfs/dbraw/zinc/67/03/21/588670321.db2.gz DZSGXGKMQQKDTA-UHFFFAOYSA-N 1 2 231.252 0.216 20 0 BCADLO CN(Cc1cnsn1)Cc1c[nH+]c[nH]1 ZINC000852288198 588675703 /nfs/dbraw/zinc/67/57/03/588675703.db2.gz LGWYLXNEUPTOEJ-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO CN(Cc1cnsn1)Cc1c[nH]c[nH+]1 ZINC000852288198 588675704 /nfs/dbraw/zinc/67/57/04/588675704.db2.gz LGWYLXNEUPTOEJ-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO C[C@@H](NC(=O)NOCC(F)F)c1[nH+]ccn1C ZINC000852290479 588676223 /nfs/dbraw/zinc/67/62/23/588676223.db2.gz IZYZVKIIBHWKPI-ZCFIWIBFSA-N 1 2 248.233 0.977 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295176 588676887 /nfs/dbraw/zinc/67/68/87/588676887.db2.gz AFBJEEGFXUZHKW-UHFFFAOYSA-N 1 2 238.287 0.419 20 0 BCADLO CCOC(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295176 588676888 /nfs/dbraw/zinc/67/68/88/588676888.db2.gz AFBJEEGFXUZHKW-UHFFFAOYSA-N 1 2 238.287 0.419 20 0 BCADLO COC(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296518 588677092 /nfs/dbraw/zinc/67/70/92/588677092.db2.gz VOYJIBXVJASTSU-UHFFFAOYSA-N 1 2 224.260 0.029 20 0 BCADLO COC(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296518 588677093 /nfs/dbraw/zinc/67/70/93/588677093.db2.gz VOYJIBXVJASTSU-UHFFFAOYSA-N 1 2 224.260 0.029 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298443 588677345 /nfs/dbraw/zinc/67/73/45/588677345.db2.gz ALIKUCZYIIGIOO-MRVPVSSYSA-N 1 2 238.287 0.418 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298443 588677346 /nfs/dbraw/zinc/67/73/46/588677346.db2.gz ALIKUCZYIIGIOO-MRVPVSSYSA-N 1 2 238.287 0.418 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000852344468 588678994 /nfs/dbraw/zinc/67/89/94/588678994.db2.gz TXVXJKWWFYQVDP-UWVGGRQHSA-N 1 2 234.303 0.972 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000852344466 588679154 /nfs/dbraw/zinc/67/91/54/588679154.db2.gz TXVXJKWWFYQVDP-NXEZZACHSA-N 1 2 234.303 0.972 20 0 BCADLO CSCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000852361222 588680075 /nfs/dbraw/zinc/68/00/75/588680075.db2.gz VUIOBFZKGVXQAR-QMMMGPOBSA-N 1 2 240.332 0.990 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2C[C@H]1CCC(=O)O1 ZINC000852443456 588682746 /nfs/dbraw/zinc/68/27/46/588682746.db2.gz LIBWPTAXCDARCO-NBBOBHDQSA-N 1 2 239.271 0.329 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2C[C@H]1CCC(=O)O1 ZINC000852443456 588682747 /nfs/dbraw/zinc/68/27/47/588682747.db2.gz LIBWPTAXCDARCO-NBBOBHDQSA-N 1 2 239.271 0.329 20 0 BCADLO CON(C)C(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852474298 588683414 /nfs/dbraw/zinc/68/34/14/588683414.db2.gz ONBPAEMPTJIAAY-RKDXNWHRSA-N 1 2 228.292 0.163 20 0 BCADLO COCC[N@H+](CCF)CC(=O)N1CCCC1 ZINC000852480751 588684315 /nfs/dbraw/zinc/68/43/15/588684315.db2.gz BHICSMGQFFHORT-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)N1CCCC1 ZINC000852480751 588684316 /nfs/dbraw/zinc/68/43/16/588684316.db2.gz BHICSMGQFFHORT-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COCC[N@H+](CCF)[C@H](C)C(=O)NC1CC1 ZINC000852485526 588684895 /nfs/dbraw/zinc/68/48/95/588684895.db2.gz VKKHYRRKILQRFJ-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO COCC[N@@H+](CCF)[C@H](C)C(=O)NC1CC1 ZINC000852485526 588684896 /nfs/dbraw/zinc/68/48/96/588684896.db2.gz VKKHYRRKILQRFJ-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](CCF)CCOC ZINC000852484932 588685174 /nfs/dbraw/zinc/68/51/74/588685174.db2.gz OFHZMOAIDQMMLS-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](CCF)CCOC ZINC000852484932 588685175 /nfs/dbraw/zinc/68/51/75/588685175.db2.gz OFHZMOAIDQMMLS-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000852499273 588685686 /nfs/dbraw/zinc/68/56/86/588685686.db2.gz FRJBUICRPLXQGF-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852539163 588689201 /nfs/dbraw/zinc/68/92/01/588689201.db2.gz PACOEYYNMLEPGL-WCBMZHEXSA-N 1 2 209.249 0.335 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852539163 588689202 /nfs/dbraw/zinc/68/92/02/588689202.db2.gz PACOEYYNMLEPGL-WCBMZHEXSA-N 1 2 209.249 0.335 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC000852570746 588690967 /nfs/dbraw/zinc/69/09/67/588690967.db2.gz YITJVCBWAUAVHE-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC000852570746 588690968 /nfs/dbraw/zinc/69/09/68/588690968.db2.gz YITJVCBWAUAVHE-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852568603 588691123 /nfs/dbraw/zinc/69/11/23/588691123.db2.gz KZVBTUILTKYNOQ-UHFFFAOYSA-N 1 2 245.323 0.143 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852568603 588691124 /nfs/dbraw/zinc/69/11/24/588691124.db2.gz KZVBTUILTKYNOQ-UHFFFAOYSA-N 1 2 245.323 0.143 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000852577236 588691468 /nfs/dbraw/zinc/69/14/68/588691468.db2.gz APDORRDDYDBQNK-UHFFFAOYSA-N 1 2 224.264 0.042 20 0 BCADLO Cc1nonc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000852577236 588691469 /nfs/dbraw/zinc/69/14/69/588691469.db2.gz APDORRDDYDBQNK-UHFFFAOYSA-N 1 2 224.264 0.042 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)C1CC1 ZINC000852578464 588691561 /nfs/dbraw/zinc/69/15/61/588691561.db2.gz NIUZDWWOXAWZCQ-ONGXEEELSA-N 1 2 233.283 0.638 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000852630780 588692707 /nfs/dbraw/zinc/69/27/07/588692707.db2.gz YFUCULCPINDSPG-JTQLQIEISA-N 1 2 245.319 0.005 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000852630780 588692708 /nfs/dbraw/zinc/69/27/08/588692708.db2.gz YFUCULCPINDSPG-JTQLQIEISA-N 1 2 245.319 0.005 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCc2nccnc2C1 ZINC000852699411 588696810 /nfs/dbraw/zinc/69/68/10/588696810.db2.gz LRVLFURMKYBQFC-UHFFFAOYSA-N 1 2 248.286 0.287 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCc2nccnc2C1 ZINC000852699411 588696811 /nfs/dbraw/zinc/69/68/11/588696811.db2.gz LRVLFURMKYBQFC-UHFFFAOYSA-N 1 2 248.286 0.287 20 0 BCADLO Cn1ncc(C[N@H+](C)CC2=CCSC2)n1 ZINC000852747253 588699362 /nfs/dbraw/zinc/69/93/62/588699362.db2.gz AZJGIPAZFYLUCO-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000852747253 588699363 /nfs/dbraw/zinc/69/93/63/588699363.db2.gz AZJGIPAZFYLUCO-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2cnon2)CC1 ZINC000852763280 588700821 /nfs/dbraw/zinc/70/08/21/588700821.db2.gz NAXRABUBUCCSJV-UHFFFAOYSA-N 1 2 240.263 0.390 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cccnn1 ZINC000860717759 589116136 /nfs/dbraw/zinc/11/61/36/589116136.db2.gz FBAQEMCFWYLRDO-VIFPVBQESA-N 1 2 239.250 0.677 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cccnn1 ZINC000860717759 589116137 /nfs/dbraw/zinc/11/61/37/589116137.db2.gz FBAQEMCFWYLRDO-VIFPVBQESA-N 1 2 239.250 0.677 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCO1)CC2 ZINC000860714303 589116201 /nfs/dbraw/zinc/11/62/01/589116201.db2.gz YMYPHIQHYQTZSP-SNVBAGLBSA-N 1 2 235.287 0.918 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1COC(=O)N1)c1[nH]cc[nH+]1 ZINC000860888104 589126225 /nfs/dbraw/zinc/12/62/25/589126225.db2.gz BAHWJYRWAYRQSE-RQJHMYQMSA-N 1 2 238.247 0.085 20 0 BCADLO O=C(OCC[NH+]1CCC1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000861390769 589164371 /nfs/dbraw/zinc/16/43/71/589164371.db2.gz LHPILVFUTSIZJW-HBNTYKKESA-N 1 2 237.299 0.851 20 0 BCADLO CC[C@H]1C[N@H+](CCS(=O)(=O)CC)C[C@H](C)O1 ZINC000118399409 589170044 /nfs/dbraw/zinc/17/00/44/589170044.db2.gz GFRLLQFOWDPVRZ-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1C[N@@H+](CCS(=O)(=O)CC)C[C@H](C)O1 ZINC000118399409 589170045 /nfs/dbraw/zinc/17/00/45/589170045.db2.gz GFRLLQFOWDPVRZ-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCO[C@@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000861752223 589176615 /nfs/dbraw/zinc/17/66/15/589176615.db2.gz BUTXGNQFBBSUJB-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(C1=COCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861760344 589177098 /nfs/dbraw/zinc/17/70/98/589177098.db2.gz BDCYMFJZAKZNCQ-UHFFFAOYSA-N 1 2 219.244 0.599 20 0 BCADLO O=C(C1=COCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861760344 589177100 /nfs/dbraw/zinc/17/71/00/589177100.db2.gz BDCYMFJZAKZNCQ-UHFFFAOYSA-N 1 2 219.244 0.599 20 0 BCADLO CC1=NO[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000861763678 589177263 /nfs/dbraw/zinc/17/72/63/589177263.db2.gz WURDZPJFLSVFBS-SNVBAGLBSA-N 1 2 234.259 0.459 20 0 BCADLO CC1=NO[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861763678 589177264 /nfs/dbraw/zinc/17/72/64/589177264.db2.gz WURDZPJFLSVFBS-SNVBAGLBSA-N 1 2 234.259 0.459 20 0 BCADLO CC(C)[C@H](NC=O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000861800106 589178988 /nfs/dbraw/zinc/17/89/88/589178988.db2.gz QFFFWFQHTCAYMH-BDAKNGLRSA-N 1 2 238.291 0.358 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1cccnn1 ZINC000861852747 589180317 /nfs/dbraw/zinc/18/03/17/589180317.db2.gz KIGACMVPJUGEAP-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO Cc1c(F)nccc1C[N@H+](C)CC(N)=O ZINC000862216701 589194840 /nfs/dbraw/zinc/19/48/40/589194840.db2.gz QLNAVZFQURFHGD-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO Cc1c(F)nccc1C[N@@H+](C)CC(N)=O ZINC000862216701 589194842 /nfs/dbraw/zinc/19/48/42/589194842.db2.gz QLNAVZFQURFHGD-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000862230032 589195878 /nfs/dbraw/zinc/19/58/78/589195878.db2.gz XBQCMBLOKHAPGE-SNVBAGLBSA-N 1 2 247.302 0.802 20 0 BCADLO Cc1c[nH]c(CN2CCC3(C2)OCCO3)[nH+]1 ZINC000862238881 589196402 /nfs/dbraw/zinc/19/64/02/589196402.db2.gz NKGWIOHUTBVVBO-UHFFFAOYSA-N 1 2 223.276 0.667 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1[nH]cc(C)[nH+]1 ZINC000862248853 589197504 /nfs/dbraw/zinc/19/75/04/589197504.db2.gz STWUFZVOQMVWEC-UHFFFAOYSA-N 1 2 245.348 0.585 20 0 BCADLO CCONC(=O)C[NH2+]C[C@]1(C)CCCS1 ZINC000862403449 589209722 /nfs/dbraw/zinc/20/97/22/589209722.db2.gz PRIFBUGQYFBDBT-JTQLQIEISA-N 1 2 232.349 0.929 20 0 BCADLO Cc1c[nH]c(CN2CCCN(C=O)CC2)[nH+]1 ZINC000862417583 589211919 /nfs/dbraw/zinc/21/19/19/589211919.db2.gz DWLQAASAQGGCOP-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCCN(C=O)CC2)n1 ZINC000862417583 589211920 /nfs/dbraw/zinc/21/19/20/589211920.db2.gz DWLQAASAQGGCOP-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCCN(C=O)CC2)n1 ZINC000862417583 589211921 /nfs/dbraw/zinc/21/19/21/589211921.db2.gz DWLQAASAQGGCOP-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO COC(=O)C1=CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000862466884 589216641 /nfs/dbraw/zinc/21/66/41/589216641.db2.gz RYFPFCKGHHRAQB-VIFPVBQESA-N 1 2 221.260 0.761 20 0 BCADLO CC(C)(C(=O)Nn1cccn1)c1c[nH+]c[nH]1 ZINC000862767408 589238861 /nfs/dbraw/zinc/23/88/61/589238861.db2.gz DUSMPTGQRHHAOG-UHFFFAOYSA-N 1 2 219.248 0.654 20 0 BCADLO CC(C)(C(=O)Nn1cccn1)c1c[nH]c[nH+]1 ZINC000862767408 589238863 /nfs/dbraw/zinc/23/88/63/589238863.db2.gz DUSMPTGQRHHAOG-UHFFFAOYSA-N 1 2 219.248 0.654 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H]1CCOC1=O)C(C)C ZINC000119195644 589247949 /nfs/dbraw/zinc/24/79/49/589247949.db2.gz DDYWMONWRAJIQS-ZJUUUORDSA-N 1 2 243.303 0.727 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862972409 589249066 /nfs/dbraw/zinc/24/90/66/589249066.db2.gz DFIFLCVAUAFWGD-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862972409 589249067 /nfs/dbraw/zinc/24/90/67/589249067.db2.gz DFIFLCVAUAFWGD-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969185 589249450 /nfs/dbraw/zinc/24/94/50/589249450.db2.gz BKRYGFRDOYZBBZ-FWAPLPHYSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(/C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969185 589249451 /nfs/dbraw/zinc/24/94/51/589249451.db2.gz BKRYGFRDOYZBBZ-FWAPLPHYSA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969715 589250097 /nfs/dbraw/zinc/25/00/97/589250097.db2.gz IBBLBUQFBWZORS-NXEZZACHSA-N 1 2 232.299 0.427 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969715 589250095 /nfs/dbraw/zinc/25/00/95/589250095.db2.gz IBBLBUQFBWZORS-NXEZZACHSA-N 1 2 232.299 0.427 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000862969229 589250391 /nfs/dbraw/zinc/25/03/91/589250391.db2.gz JZNWKWILCPZPCR-CIUDSAMLSA-N 1 2 248.273 0.334 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000862969229 589250392 /nfs/dbraw/zinc/25/03/92/589250392.db2.gz JZNWKWILCPZPCR-CIUDSAMLSA-N 1 2 248.273 0.334 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](CCF)C1 ZINC000863073836 589254423 /nfs/dbraw/zinc/25/44/23/589254423.db2.gz MFQXYHKVNKYUIA-SECBINFHSA-N 1 2 241.266 0.539 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000863283388 589275976 /nfs/dbraw/zinc/27/59/76/589275976.db2.gz MNMZVIKAFOWUOH-UWVGGRQHSA-N 1 2 235.287 0.636 20 0 BCADLO Cn1cnn(C[N@@H+]2CCCC3(CC3)CC2)c1=O ZINC000863331736 589280753 /nfs/dbraw/zinc/28/07/53/589280753.db2.gz UHEUHEXHOMAGHM-UHFFFAOYSA-N 1 2 236.319 0.805 20 0 BCADLO Cn1cnn(C[N@H+]2CCCC3(CC3)CC2)c1=O ZINC000863331736 589280755 /nfs/dbraw/zinc/28/07/55/589280755.db2.gz UHEUHEXHOMAGHM-UHFFFAOYSA-N 1 2 236.319 0.805 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cn3cc(Cl)cn3)C[C@@H]12 ZINC000863338531 589281105 /nfs/dbraw/zinc/28/11/05/589281105.db2.gz NUYBTYSJSVWOIH-VXNVDRBHSA-N 1 2 241.678 0.599 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cn3cc(Cl)cn3)C[C@@H]12 ZINC000863338531 589281107 /nfs/dbraw/zinc/28/11/07/589281107.db2.gz NUYBTYSJSVWOIH-VXNVDRBHSA-N 1 2 241.678 0.599 20 0 BCADLO COc1cncc(CO[NH+]=C(N)[C@@H](C)OC)n1 ZINC000863459840 589289970 /nfs/dbraw/zinc/28/99/70/589289970.db2.gz SSPUBLDTRHOGLM-SSDOTTSWSA-N 1 2 240.263 0.519 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCOC1CCOCC1 ZINC000863459100 589290144 /nfs/dbraw/zinc/29/01/44/589290144.db2.gz KUHGRGXOVQAECV-VIFPVBQESA-N 1 2 246.307 0.715 20 0 BCADLO CC(C)(C)CNC(=O)CO[NH+]=C(N)CCO ZINC000863467596 589290726 /nfs/dbraw/zinc/29/07/26/589290726.db2.gz CGUOJXFAUKJCRB-UHFFFAOYSA-N 1 2 231.296 0.030 20 0 BCADLO CC[C@H](C)C[N@H+](C)Cn1nc(COC)oc1=O ZINC000119688259 589324367 /nfs/dbraw/zinc/32/43/67/589324367.db2.gz PWYFWPLSJGXFQC-VIFPVBQESA-N 1 2 243.307 0.918 20 0 BCADLO CC[C@H](C)C[N@@H+](C)Cn1nc(COC)oc1=O ZINC000119688259 589324368 /nfs/dbraw/zinc/32/43/68/589324368.db2.gz PWYFWPLSJGXFQC-VIFPVBQESA-N 1 2 243.307 0.918 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000864053588 589335788 /nfs/dbraw/zinc/33/57/88/589335788.db2.gz MPXZDNLOUJURNJ-MRVPVSSYSA-N 1 2 227.264 0.481 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000864060786 589337124 /nfs/dbraw/zinc/33/71/24/589337124.db2.gz NIVYVJKPKVTFRH-BXKDBHETSA-N 1 2 235.287 0.447 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@](O)(C2CC2)C1 ZINC000864066784 589338635 /nfs/dbraw/zinc/33/86/35/589338635.db2.gz CWWCZWBMKSLEGN-CYBMUJFWSA-N 1 2 249.314 0.716 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864080540 589341114 /nfs/dbraw/zinc/34/11/14/589341114.db2.gz HJXDLEYYWMRLMV-BZJXQOFCSA-N 1 2 232.711 0.576 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864080540 589341116 /nfs/dbraw/zinc/34/11/16/589341116.db2.gz HJXDLEYYWMRLMV-BZJXQOFCSA-N 1 2 232.711 0.576 20 0 BCADLO CO[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864080375 589341538 /nfs/dbraw/zinc/34/15/38/589341538.db2.gz IECOOTITMHNFSD-GXSJLCMTSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)Cc2c[nH]nc21 ZINC000864091430 589343328 /nfs/dbraw/zinc/34/33/28/589343328.db2.gz UWRWNPGANFPNCI-QMMMGPOBSA-N 1 2 223.276 0.702 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)Cc2c[nH]nc21 ZINC000864091430 589343331 /nfs/dbraw/zinc/34/33/31/589343331.db2.gz UWRWNPGANFPNCI-QMMMGPOBSA-N 1 2 223.276 0.702 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCC1 ZINC000864394140 589358175 /nfs/dbraw/zinc/35/81/75/589358175.db2.gz YIBSWLYZYLUMRR-ONEGZZNKSA-N 1 2 224.304 0.497 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCC1 ZINC000864394139 589358305 /nfs/dbraw/zinc/35/83/05/589358305.db2.gz YIBSWLYZYLUMRR-ARJAWSKDSA-N 1 2 224.304 0.497 20 0 BCADLO CC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864437465 589363030 /nfs/dbraw/zinc/36/30/30/589363030.db2.gz JTVSWFPNJCZANY-SNVBAGLBSA-N 1 2 223.276 0.702 20 0 BCADLO CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864494424 589374206 /nfs/dbraw/zinc/37/42/06/589374206.db2.gz GQMYIFWIZNHARZ-UHFFFAOYSA-N 1 2 205.261 0.880 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864761110 589392742 /nfs/dbraw/zinc/39/27/42/589392742.db2.gz GWILUSYIWSGABR-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC[C@@H]1CCOC1=O ZINC000120226660 589393316 /nfs/dbraw/zinc/39/33/16/589393316.db2.gz JMRNQKCHRBMPKA-MRVPVSSYSA-N 1 2 229.276 0.481 20 0 BCADLO CC(C)[C@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864773618 589393372 /nfs/dbraw/zinc/39/33/72/589393372.db2.gz MMXFSFAHJILHCF-WCBMZHEXSA-N 1 2 225.292 0.946 20 0 BCADLO CCN(CC(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864813216 589395533 /nfs/dbraw/zinc/39/55/33/589395533.db2.gz PLXRXVSIGNTFMR-SNVBAGLBSA-N 1 2 225.292 0.948 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1(F)CCOCC1 ZINC000864867992 589398754 /nfs/dbraw/zinc/39/87/54/589398754.db2.gz QWAXBCGENAYIRY-UHFFFAOYSA-N 1 2 241.266 0.518 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864875720 589398924 /nfs/dbraw/zinc/39/89/24/589398924.db2.gz SFLJUDKFJSSTNH-DQOJRVPBSA-N 1 2 238.331 0.647 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865081682 589406050 /nfs/dbraw/zinc/40/60/50/589406050.db2.gz CWAWYYUSLUIQLF-IONNQARKSA-N 1 2 211.265 0.700 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cnoc1 ZINC000865084461 589408192 /nfs/dbraw/zinc/40/81/92/589408192.db2.gz CAVBNGNJQNRGEV-OWOJBTEDSA-N 1 2 237.259 0.502 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000205238487 589410178 /nfs/dbraw/zinc/41/01/78/589410178.db2.gz NZBRDFGPYXBGIV-UHFFFAOYSA-N 1 2 247.342 0.863 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C1CC1 ZINC000865156166 589411338 /nfs/dbraw/zinc/41/13/38/589411338.db2.gz CCFJBDMHNUNFRT-MNOVXSKESA-N 1 2 235.287 0.844 20 0 BCADLO CN(CC(F)F)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865163597 589412021 /nfs/dbraw/zinc/41/20/21/589412021.db2.gz OQRNAQYKLSESCY-IHWYPQMZSA-N 1 2 248.273 0.598 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000865204019 589414414 /nfs/dbraw/zinc/41/44/14/589414414.db2.gz YTXCOXYVXFZAJI-PHIMTYICSA-N 1 2 249.314 0.391 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ccc(F)nn2)C1 ZINC000865483134 589440656 /nfs/dbraw/zinc/44/06/56/589440656.db2.gz FHWGURVCGNIKAE-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ccc(F)nn2)C1 ZINC000865483134 589440658 /nfs/dbraw/zinc/44/06/58/589440658.db2.gz FHWGURVCGNIKAE-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO C[C@H]1C[N@H+](CCNc2ccc(F)nn2)CCO1 ZINC000865495031 589440964 /nfs/dbraw/zinc/44/09/64/589440964.db2.gz GGXDPIKRWACTKB-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2ccc(F)nn2)CCO1 ZINC000865495031 589440965 /nfs/dbraw/zinc/44/09/65/589440965.db2.gz GGXDPIKRWACTKB-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1ccc(F)nn1 ZINC000865509027 589442211 /nfs/dbraw/zinc/44/22/11/589442211.db2.gz JGWWOPVQEPGQCR-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1ccc(F)nn1 ZINC000865509027 589442212 /nfs/dbraw/zinc/44/22/12/589442212.db2.gz JGWWOPVQEPGQCR-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cc(C)no1 ZINC000865617909 589449995 /nfs/dbraw/zinc/44/99/95/589449995.db2.gz WEIVPEIDDOSVHM-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cc(C)no1 ZINC000865611098 589450755 /nfs/dbraw/zinc/45/07/55/589450755.db2.gz CMWXSZJTSBFATP-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H]1CCOC1=O ZINC000120645738 589451601 /nfs/dbraw/zinc/45/16/01/589451601.db2.gz NJONTSLQNSNOAP-SECBINFHSA-N 1 2 243.303 0.871 20 0 BCADLO Cc1nc(NC2COC(C)(C)OC2)nc(N)[nH+]1 ZINC000865677949 589455860 /nfs/dbraw/zinc/45/58/60/589455860.db2.gz QIRSTOUXDIFPDM-UHFFFAOYSA-N 1 2 239.279 0.326 20 0 BCADLO Cc1nc(N)nc(NC2COC(C)(C)OC2)[nH+]1 ZINC000865677949 589455861 /nfs/dbraw/zinc/45/58/61/589455861.db2.gz QIRSTOUXDIFPDM-UHFFFAOYSA-N 1 2 239.279 0.326 20 0 BCADLO C[C@H](O)c1ccc(N2CCN(C)C(=O)[C@@H]2C)[nH+]c1 ZINC000865689440 589456123 /nfs/dbraw/zinc/45/61/23/589456123.db2.gz GZADKWLMAQGLAM-UWVGGRQHSA-N 1 2 249.314 0.802 20 0 BCADLO c1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)[nH]n1 ZINC000865691679 589456405 /nfs/dbraw/zinc/45/64/05/589456405.db2.gz DERGOEQXQQRVLD-QATXWYEKSA-N 1 2 219.288 0.923 20 0 BCADLO c1nc2nc3c(c(N4CCCC[NH2+]4)n2n1)CCC3 ZINC000865798973 589462370 /nfs/dbraw/zinc/46/23/70/589462370.db2.gz CZAYHMLTMDPAHS-UHFFFAOYSA-N 1 2 244.302 0.718 20 0 BCADLO O[C@H]1C[C@H](Nc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865956482 589470236 /nfs/dbraw/zinc/47/02/36/589470236.db2.gz WEZSMVFOZUZEAU-IZLXSQMJSA-N 1 2 238.678 0.968 20 0 BCADLO C[C@H](O)c1ccc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]c1 ZINC000865968346 589470840 /nfs/dbraw/zinc/47/08/40/589470840.db2.gz CMNRPQGQDQCEBI-HGNGGELXSA-N 1 2 235.287 0.811 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865995162 589471630 /nfs/dbraw/zinc/47/16/30/589471630.db2.gz WAQWANYVMWNHIB-IONNQARKSA-N 1 2 241.316 0.407 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1nc(C2CC2)no1 ZINC000865996327 589472029 /nfs/dbraw/zinc/47/20/29/589472029.db2.gz FPLKMNPBZSPCHX-UHFFFAOYSA-N 1 2 247.258 0.611 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866020450 589472801 /nfs/dbraw/zinc/47/28/01/589472801.db2.gz MJIHMEHALCBQEV-NQMVMOMDSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@H](O)[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000866110950 589476937 /nfs/dbraw/zinc/47/69/37/589476937.db2.gz SUQTXAYNVXQZCO-IUCAKERBSA-N 1 2 239.319 0.928 20 0 BCADLO Cn1ccnc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000866124817 589477803 /nfs/dbraw/zinc/47/78/03/589477803.db2.gz PYXJOLCISXSHAK-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC(C(F)(F)F)C1 ZINC000866177628 589478998 /nfs/dbraw/zinc/47/89/98/589478998.db2.gz IUJIYRIVGPZZJC-SSDOTTSWSA-N 1 2 249.192 0.464 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@@H](O)C1 ZINC000866223715 589481502 /nfs/dbraw/zinc/48/15/02/589481502.db2.gz PMHDFPYNYJLYDI-BDAKNGLRSA-N 1 2 224.260 0.022 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CC=CC1 ZINC000866592288 589502228 /nfs/dbraw/zinc/50/22/28/589502228.db2.gz PPUFGSMDSOVGHY-ZZXKWVIFSA-N 1 2 236.315 0.710 20 0 BCADLO CC(C)N(CC(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866747609 589517135 /nfs/dbraw/zinc/51/71/35/589517135.db2.gz XIBSZVKORDQEEU-SECBINFHSA-N 1 2 247.245 0.945 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCC2(CC2)C1 ZINC000867479913 589521960 /nfs/dbraw/zinc/52/19/60/589521960.db2.gz WPUGBCSHMMQIGN-JTQLQIEISA-N 1 2 235.287 0.846 20 0 BCADLO C[N@@H+]1CCN(C(=O)OCC2CC2)[C@H](CO)C1 ZINC000867538711 589524776 /nfs/dbraw/zinc/52/47/76/589524776.db2.gz USAXWONUTUVZLU-JTQLQIEISA-N 1 2 228.292 0.141 20 0 BCADLO C[N@H+]1CCN(C(=O)OCC2CC2)[C@H](CO)C1 ZINC000867538711 589524778 /nfs/dbraw/zinc/52/47/78/589524778.db2.gz USAXWONUTUVZLU-JTQLQIEISA-N 1 2 228.292 0.141 20 0 BCADLO COC[C@@H](C)OC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000867561649 589525681 /nfs/dbraw/zinc/52/56/81/589525681.db2.gz DBGDLIAQPSCHMN-NXEZZACHSA-N 1 2 246.307 0.078 20 0 BCADLO COC[C@@H](C)OC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000867561649 589525682 /nfs/dbraw/zinc/52/56/82/589525682.db2.gz DBGDLIAQPSCHMN-NXEZZACHSA-N 1 2 246.307 0.078 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC ZINC000121754820 589529808 /nfs/dbraw/zinc/52/98/08/589529808.db2.gz UODRPPOXSQOEGJ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC ZINC000121754820 589529810 /nfs/dbraw/zinc/52/98/10/589529810.db2.gz UODRPPOXSQOEGJ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCCCO1 ZINC000867710936 589531626 /nfs/dbraw/zinc/53/16/26/589531626.db2.gz LDDFMDHDOJWFHU-VIFPVBQESA-N 1 2 225.248 0.387 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)OCCF ZINC000867757128 589533548 /nfs/dbraw/zinc/53/35/48/589533548.db2.gz XLDMULRDLMGBNW-UHFFFAOYSA-N 1 2 201.201 0.948 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867938098 589540731 /nfs/dbraw/zinc/54/07/31/589540731.db2.gz DIHVDIFSBQIBJC-OOZYFLPDSA-N 1 2 209.249 0.452 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867938095 589540766 /nfs/dbraw/zinc/54/07/66/589540766.db2.gz DIHVDIFSBQIBJC-BHNWBGBOSA-N 1 2 209.249 0.452 20 0 BCADLO CSCCCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868035130 589545437 /nfs/dbraw/zinc/54/54/37/589545437.db2.gz HYUUPVLDURRESJ-SECBINFHSA-N 1 2 243.332 0.655 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868261290 589552970 /nfs/dbraw/zinc/55/29/70/589552970.db2.gz PYAPXEHPUGOPDX-XKSSXDPKSA-N 1 2 239.275 0.079 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1CSC1 ZINC000868412819 589557596 /nfs/dbraw/zinc/55/75/96/589557596.db2.gz IWBUTEFJLVAUDG-UHFFFAOYSA-N 1 2 211.290 0.399 20 0 BCADLO CC(F)(F)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868571500 589564855 /nfs/dbraw/zinc/56/48/55/589564855.db2.gz BXLMULKUWZTGBI-NSCUHMNNSA-N 1 2 248.273 0.646 20 0 BCADLO Nc1cccnc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620204 589568393 /nfs/dbraw/zinc/56/83/93/589568393.db2.gz PJKQELOFNLAPLA-VIFPVBQESA-N 1 2 243.270 0.735 20 0 BCADLO C[NH+](C)CCONC(=O)[C@]12CCC[C@H]1OCC2 ZINC000868628260 589569081 /nfs/dbraw/zinc/56/90/81/589569081.db2.gz PJWPCUUYFGGOJC-PWSUYJOCSA-N 1 2 242.319 0.555 20 0 BCADLO CC(C)ONC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868659486 589571081 /nfs/dbraw/zinc/57/10/81/589571081.db2.gz XWAVLBVQFQLDDY-ARJAWSKDSA-N 1 2 228.292 0.331 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOC1CCC1 ZINC000868667045 589571898 /nfs/dbraw/zinc/57/18/98/589571898.db2.gz XNSPEWNZKOTCFQ-UHFFFAOYSA-N 1 2 224.264 0.703 20 0 BCADLO O=C(N[C@H]1CCOC1=O)c1cccc2[nH+]ccn21 ZINC000869093908 589587263 /nfs/dbraw/zinc/58/72/63/589587263.db2.gz UNYVQNYIVDJCKD-QMMMGPOBSA-N 1 2 245.238 0.380 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](F)C1 ZINC000869169525 589591615 /nfs/dbraw/zinc/59/16/15/589591615.db2.gz QFLVRVIRMMHKIS-APPZFPTMSA-N 1 2 227.239 0.404 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C=CCC1 ZINC000869243253 589593669 /nfs/dbraw/zinc/59/36/69/589593669.db2.gz PPKIQLYSASPQBA-GCLPIYDQSA-N 1 2 236.315 0.710 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1(F)CCOCC1 ZINC000869728156 589625141 /nfs/dbraw/zinc/62/51/41/589625141.db2.gz ICLIJCSBEYMNOH-UHFFFAOYSA-N 1 2 242.250 0.945 20 0 BCADLO COCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122892563 589643182 /nfs/dbraw/zinc/64/31/82/589643182.db2.gz IUPAMWAYVRTORS-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COC/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000870028954 589643145 /nfs/dbraw/zinc/64/31/45/589643145.db2.gz BKVFQXQFRPGFTQ-ARJAWSKDSA-N 1 2 224.260 0.708 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)OCc1c[nH+]cn1C ZINC000870219996 589650067 /nfs/dbraw/zinc/65/00/67/589650067.db2.gz KZNUEXLHIARTFN-JTQLQIEISA-N 1 2 239.275 0.378 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)c[nH+]1 ZINC000123090390 589661674 /nfs/dbraw/zinc/66/16/74/589661674.db2.gz JVFAZWDIMBSGOS-SSDOTTSWSA-N 1 2 234.259 0.129 20 0 BCADLO CC[C@@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870679108 589683174 /nfs/dbraw/zinc/68/31/74/589683174.db2.gz FXTYLCCLKZEVJC-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO COC(C)(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000871254724 589749868 /nfs/dbraw/zinc/74/98/68/589749868.db2.gz UAOIMJJBDQQAQH-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO COC(C)(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000871259721 589752492 /nfs/dbraw/zinc/75/24/92/589752492.db2.gz WDCCPUHXPZUHJY-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCO[C@@H]1C ZINC000871735928 589801103 /nfs/dbraw/zinc/80/11/03/589801103.db2.gz ZZQFROSXEIEBLC-HLTSFMKQSA-N 1 2 216.281 0.945 20 0 BCADLO CCCNC(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871774730 589812826 /nfs/dbraw/zinc/81/28/26/589812826.db2.gz FDXYUADBGHHRDL-UHFFFAOYSA-N 1 2 243.307 0.580 20 0 BCADLO CS(=O)(=O)CC[NH+]1CC(Cc2ccco2)C1 ZINC000871987052 589853875 /nfs/dbraw/zinc/85/38/75/589853875.db2.gz MXWHRXGPKQHJAW-UHFFFAOYSA-N 1 2 243.328 0.799 20 0 BCADLO c1nsnc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320204 589909062 /nfs/dbraw/zinc/90/90/62/589909062.db2.gz MYOBUHXDIXXJCM-OCAPTIKFSA-N 1 2 211.290 0.616 20 0 BCADLO c1nsnc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320204 589909064 /nfs/dbraw/zinc/90/90/64/589909064.db2.gz MYOBUHXDIXXJCM-OCAPTIKFSA-N 1 2 211.290 0.616 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC ZINC000872644054 589958026 /nfs/dbraw/zinc/95/80/26/589958026.db2.gz GKANSSHUGKZVCE-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC ZINC000872644054 589958028 /nfs/dbraw/zinc/95/80/28/589958028.db2.gz GKANSSHUGKZVCE-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)Cn2cnnc2)C1=O ZINC000872673576 589960496 /nfs/dbraw/zinc/96/04/96/589960496.db2.gz CJCATRBPVRBBKY-SNVBAGLBSA-N 1 2 237.307 0.178 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)Cn2cnnc2)C1=O ZINC000872673576 589960497 /nfs/dbraw/zinc/96/04/97/589960497.db2.gz CJCATRBPVRBBKY-SNVBAGLBSA-N 1 2 237.307 0.178 20 0 BCADLO OCC1(CO)CCN(c2cccc[nH+]2)CC1 ZINC000872680032 589960826 /nfs/dbraw/zinc/96/08/26/589960826.db2.gz ZQOKEMZARGCKCV-UHFFFAOYSA-N 1 2 222.288 0.653 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1ccon1 ZINC000873133802 589985652 /nfs/dbraw/zinc/98/56/52/589985652.db2.gz KLUXISXFBXQBEI-UHFFFAOYSA-N 1 2 213.237 0.174 20 0 BCADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000124556128 590050718 /nfs/dbraw/zinc/05/07/18/590050718.db2.gz RIKVLHINOANLPR-UHFFFAOYSA-N 1 2 207.193 0.031 20 0 BCADLO C[C@@H](C(=O)O[C@H]1CCOC1)[NH+]1CCSCC1 ZINC000124588141 590060075 /nfs/dbraw/zinc/06/00/75/590060075.db2.gz VTWFZXRQUKOVTN-UWVGGRQHSA-N 1 2 245.344 0.756 20 0 BCADLO COC(OC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000873818719 590072849 /nfs/dbraw/zinc/07/28/49/590072849.db2.gz FBLWFYUWRFOARQ-UHFFFAOYSA-N 1 2 249.270 0.569 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000874443011 590110994 /nfs/dbraw/zinc/11/09/94/590110994.db2.gz YGWUTJSCPVKANA-LBPRGKRZSA-N 1 2 233.271 0.419 20 0 BCADLO O=C(C[C@@H]1COC(=O)C1)Nc1cc[nH+]cc1O ZINC000125123175 590125141 /nfs/dbraw/zinc/12/51/41/590125141.db2.gz GPYDHWYURRBWBF-ZETCQYMHSA-N 1 2 236.227 0.679 20 0 BCADLO CC(C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000874977052 590158515 /nfs/dbraw/zinc/15/85/15/590158515.db2.gz OHOHGGFEGMTXGI-QMMMGPOBSA-N 1 2 208.265 0.515 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CSC(=O)N1)c1[nH]cc[nH+]1 ZINC000125405135 590163787 /nfs/dbraw/zinc/16/37/87/590163787.db2.gz JCTKXNDEJSCIGJ-PHDIDXHHSA-N 1 2 240.288 0.412 20 0 BCADLO CCONC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875505374 590164565 /nfs/dbraw/zinc/16/45/65/590164565.db2.gz NIIZGGMVYYFNPK-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO CCONC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875505374 590164566 /nfs/dbraw/zinc/16/45/66/590164566.db2.gz NIIZGGMVYYFNPK-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@@H]1O ZINC000875591207 590166177 /nfs/dbraw/zinc/16/61/77/590166177.db2.gz HXIDARQCVOPZNE-UWVGGRQHSA-N 1 2 238.291 0.133 20 0 BCADLO O=C(Nc1ncccn1)N[C@H]1CCn2cc[nH+]c21 ZINC000888702645 590189052 /nfs/dbraw/zinc/18/90/52/590189052.db2.gz VNIAVXZUWYXNOS-QMMMGPOBSA-N 1 2 244.258 0.940 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@@H]1C ZINC000876305473 590194193 /nfs/dbraw/zinc/19/41/93/590194193.db2.gz KEWWYZWVYBVKNL-RKDXNWHRSA-N 1 2 222.292 0.970 20 0 BCADLO CCCn1cc(C[N@H+](CC)CCO)nn1 ZINC000876527217 590209326 /nfs/dbraw/zinc/20/93/26/590209326.db2.gz WLRZQNOFNFUUJQ-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCn1cc(C[N@@H+](CC)CCO)nn1 ZINC000876527217 590209327 /nfs/dbraw/zinc/20/93/27/590209327.db2.gz WLRZQNOFNFUUJQ-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCC[C@@H](C[N@H+](C)CCS(C)(=O)=O)OC ZINC000876585155 590218391 /nfs/dbraw/zinc/21/83/91/590218391.db2.gz BDUWDIVUQYKHSK-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO CCC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)OC ZINC000876585155 590218392 /nfs/dbraw/zinc/21/83/92/590218392.db2.gz BDUWDIVUQYKHSK-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@@H]2CCOC2)nn1 ZINC000876691054 590231141 /nfs/dbraw/zinc/23/11/41/590231141.db2.gz YWSHUDMGTDFUHD-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1 ZINC000876691054 590231142 /nfs/dbraw/zinc/23/11/42/590231142.db2.gz YWSHUDMGTDFUHD-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO COc1cncc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000877131828 590290741 /nfs/dbraw/zinc/29/07/41/590290741.db2.gz LXPKVXUDUHCSJT-VIFPVBQESA-N 1 2 239.300 0.691 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000877150628 590292873 /nfs/dbraw/zinc/29/28/73/590292873.db2.gz XSFJXHOZJWEOSK-UHFFFAOYSA-N 1 2 233.724 0.974 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@@H]2COC)nn1 ZINC000877550902 590354423 /nfs/dbraw/zinc/35/44/23/590354423.db2.gz TVOGQBVJVSHJJX-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@@H]2COC)nn1 ZINC000877550902 590354426 /nfs/dbraw/zinc/35/44/26/590354426.db2.gz TVOGQBVJVSHJJX-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CO[C@](C)(C[NH+]1CC2(C1)CNC(=O)O2)C1CC1 ZINC000877596970 590369717 /nfs/dbraw/zinc/36/97/17/590369717.db2.gz WFBXRQXUZBFHHE-LLVKDONJSA-N 1 2 240.303 0.596 20 0 BCADLO CC[C@@](C)(C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596993 590370083 /nfs/dbraw/zinc/37/00/83/590370083.db2.gz WVLIOQQKYDBZMI-JTQLQIEISA-N 1 2 228.292 0.596 20 0 BCADLO CCC[C@H](C[NH+]1CC2(C1)CN(C)C(=O)O2)OC ZINC000877595546 590370172 /nfs/dbraw/zinc/37/01/72/590370172.db2.gz DNDFVWQQADUIBJ-SNVBAGLBSA-N 1 2 242.319 0.938 20 0 BCADLO CCONC(=O)C[NH2+]CC1CC(OCC)C1 ZINC000877613848 590373563 /nfs/dbraw/zinc/37/35/63/590373563.db2.gz RHOIPWRLPNBRKW-UHFFFAOYSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC12CCC2 ZINC000877613650 590373682 /nfs/dbraw/zinc/37/36/82/590373682.db2.gz OMWJDNMKDZDTQR-SECBINFHSA-N 1 2 212.293 0.976 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877641878 590382184 /nfs/dbraw/zinc/38/21/84/590382184.db2.gz CRONHHUMEBJYSZ-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877641878 590382185 /nfs/dbraw/zinc/38/21/85/590382185.db2.gz CRONHHUMEBJYSZ-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccns2)CC1 ZINC000877641752 590382934 /nfs/dbraw/zinc/38/29/34/590382934.db2.gz HVHXEKFLMDZZQQ-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccns2)CC1 ZINC000877641752 590382937 /nfs/dbraw/zinc/38/29/37/590382937.db2.gz HVHXEKFLMDZZQQ-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CCn1ncc(C[NH2+]Cc2snnc2C)n1 ZINC000877647513 590383999 /nfs/dbraw/zinc/38/39/99/590383999.db2.gz DNAYZPJHPRRGQZ-UHFFFAOYSA-N 1 2 238.320 0.748 20 0 BCADLO COc1cnc(F)c(C[NH+](CCO)CCO)c1 ZINC000877649372 590384098 /nfs/dbraw/zinc/38/40/98/590384098.db2.gz VOOIEHFTMKYNGB-UHFFFAOYSA-N 1 2 244.266 0.016 20 0 BCADLO COC(=O)C1CC([NH2+]Cc2cn[nH]c2C)C1 ZINC000877720880 590401077 /nfs/dbraw/zinc/40/10/77/590401077.db2.gz IHUDFUIAQXHVJD-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000877726540 590403244 /nfs/dbraw/zinc/40/32/44/590403244.db2.gz CVNNKTWWZNIBCG-PSASIEDQSA-N 1 2 239.275 0.077 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@@H]1O ZINC000877748455 590413458 /nfs/dbraw/zinc/41/34/58/590413458.db2.gz BSLPROONSBHESJ-MNOVXSKESA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@@H]1O ZINC000877748455 590413460 /nfs/dbraw/zinc/41/34/60/590413460.db2.gz BSLPROONSBHESJ-MNOVXSKESA-N 1 2 243.253 0.892 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000877751283 590415688 /nfs/dbraw/zinc/41/56/88/590415688.db2.gz AOEOLXAWMMOHMX-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000877751283 590415691 /nfs/dbraw/zinc/41/56/91/590415691.db2.gz AOEOLXAWMMOHMX-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@](C)(OC)C2CC2)C1 ZINC000877770278 590421250 /nfs/dbraw/zinc/42/12/50/590421250.db2.gz FACRCXCAKMNVCE-NSHDSACASA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2(SC)CC2)C1 ZINC000877770998 590422555 /nfs/dbraw/zinc/42/25/55/590422555.db2.gz MOTNZTGBEMFGDH-UHFFFAOYSA-N 1 2 231.317 0.102 20 0 BCADLO C[S@](=N)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000877790949 590424223 /nfs/dbraw/zinc/42/42/23/590424223.db2.gz AHXJEUIGSGLBQP-MRXNPFEDSA-N 1 2 243.336 0.119 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCC3(CCC3)O2)CCN1 ZINC000877905848 590444302 /nfs/dbraw/zinc/44/43/02/590444302.db2.gz CKIZOOALPKUNQA-SNVBAGLBSA-N 1 2 224.304 0.520 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCN1 ZINC000877905848 590444304 /nfs/dbraw/zinc/44/43/04/590444304.db2.gz CKIZOOALPKUNQA-SNVBAGLBSA-N 1 2 224.304 0.520 20 0 BCADLO CC[NH+](CC)Cc1nnc2c(=O)[nH]ccn12 ZINC000877929886 590450054 /nfs/dbraw/zinc/45/00/54/590450054.db2.gz PSPKVHVSDIRAGE-UHFFFAOYSA-N 1 2 221.264 0.259 20 0 BCADLO CNC(=O)CN(C)Cc1[nH+]ccn1CC(F)F ZINC000877957283 590457498 /nfs/dbraw/zinc/45/74/98/590457498.db2.gz IORQQLDTTRMPAH-UHFFFAOYSA-N 1 2 246.261 0.326 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(N)=O)nc1Cl ZINC000877960695 590458426 /nfs/dbraw/zinc/45/84/26/590458426.db2.gz YYGAERSAZIBYCS-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(N)=O)nc1Cl ZINC000877960695 590458427 /nfs/dbraw/zinc/45/84/27/590458427.db2.gz YYGAERSAZIBYCS-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO Cc1conc1CN(C)CC[NH+]1CCOCC1 ZINC000878048059 590481228 /nfs/dbraw/zinc/48/12/28/590481228.db2.gz NTGOEGHKOXCXHG-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1conc1C[N@H+](C)CCN1CCOCC1 ZINC000878048059 590481231 /nfs/dbraw/zinc/48/12/31/590481231.db2.gz NTGOEGHKOXCXHG-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1conc1C[N@@H+](C)CCN1CCOCC1 ZINC000878048059 590481232 /nfs/dbraw/zinc/48/12/32/590481232.db2.gz NTGOEGHKOXCXHG-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCC(C)(C)CO2)CC1=O ZINC000878127069 590501867 /nfs/dbraw/zinc/50/18/67/590501867.db2.gz XXLDTWOFDCUFBY-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)CC1=O ZINC000878127069 590501871 /nfs/dbraw/zinc/50/18/71/590501871.db2.gz XXLDTWOFDCUFBY-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000878156566 590509097 /nfs/dbraw/zinc/50/90/97/590509097.db2.gz TTWGEPHAPSMKTB-NSHDSACASA-N 1 2 243.282 0.376 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000878156566 590509099 /nfs/dbraw/zinc/50/90/99/590509099.db2.gz TTWGEPHAPSMKTB-NSHDSACASA-N 1 2 243.282 0.376 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@@H]1O ZINC000878160893 590510443 /nfs/dbraw/zinc/51/04/43/590510443.db2.gz VZMMNCKVUVRTJK-AOOOYVTPSA-N 1 2 238.287 0.091 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@@H]1O ZINC000878160893 590510446 /nfs/dbraw/zinc/51/04/46/590510446.db2.gz VZMMNCKVUVRTJK-AOOOYVTPSA-N 1 2 238.287 0.091 20 0 BCADLO c1coc([C@@H]2C[N@H+](CCn3cnnn3)CCO2)c1 ZINC000878180402 590517041 /nfs/dbraw/zinc/51/70/41/590517041.db2.gz BDWCBUBBLVVJDI-NSHDSACASA-N 1 2 249.274 0.340 20 0 BCADLO c1coc([C@@H]2C[N@@H+](CCn3cnnn3)CCO2)c1 ZINC000878180402 590517042 /nfs/dbraw/zinc/51/70/42/590517042.db2.gz BDWCBUBBLVVJDI-NSHDSACASA-N 1 2 249.274 0.340 20 0 BCADLO CS(C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000878208175 590524552 /nfs/dbraw/zinc/52/45/52/590524552.db2.gz RLQNYUFUXSJKDQ-UHFFFAOYSA-N 1 2 201.251 0.137 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)COC1CC1 ZINC000878224956 590526646 /nfs/dbraw/zinc/52/66/46/590526646.db2.gz PLBMSASXQXXVLI-UHFFFAOYSA-N 1 2 249.314 0.943 20 0 BCADLO CC[C@H](C)[N@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878234029 590527086 /nfs/dbraw/zinc/52/70/86/590527086.db2.gz QYCUGFPQZAQQPM-XXFAHNHDSA-N 1 2 249.380 0.818 20 0 BCADLO CC[C@H](C)[N@@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878234029 590527088 /nfs/dbraw/zinc/52/70/88/590527088.db2.gz QYCUGFPQZAQQPM-XXFAHNHDSA-N 1 2 249.380 0.818 20 0 BCADLO Cc1conc1C[NH2+]C1(C(N)=O)CCCC1 ZINC000878255259 590530025 /nfs/dbraw/zinc/53/00/25/590530025.db2.gz GGGIQFJNDGLMRW-UHFFFAOYSA-N 1 2 223.276 0.871 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nccn1CC(F)F ZINC000878298254 590537497 /nfs/dbraw/zinc/53/74/97/590537497.db2.gz VTQFPAQJLDZYSW-MRVPVSSYSA-N 1 2 233.262 0.961 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nccn1CC(F)F ZINC000878298254 590537498 /nfs/dbraw/zinc/53/74/98/590537498.db2.gz VTQFPAQJLDZYSW-MRVPVSSYSA-N 1 2 233.262 0.961 20 0 BCADLO Cc1conc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000878316417 590542986 /nfs/dbraw/zinc/54/29/86/590542986.db2.gz HEVSYSQLACRART-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1conc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000878316417 590542987 /nfs/dbraw/zinc/54/29/87/590542987.db2.gz HEVSYSQLACRART-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO COC[C@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878333390 590548499 /nfs/dbraw/zinc/54/84/99/590548499.db2.gz SLAJNOSEJAVPBC-JQWIXIFHSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@H]1C[N@H+](Cc2nccn2CC(F)F)C[C@H]1O ZINC000878335726 590549569 /nfs/dbraw/zinc/54/95/69/590549569.db2.gz QHHVZLNGTOULOR-DTWKUNHWSA-N 1 2 245.273 0.961 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nccn2CC(F)F)C[C@H]1O ZINC000878335726 590549571 /nfs/dbraw/zinc/54/95/71/590549571.db2.gz QHHVZLNGTOULOR-DTWKUNHWSA-N 1 2 245.273 0.961 20 0 BCADLO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878509946 590584076 /nfs/dbraw/zinc/58/40/76/590584076.db2.gz ZDIYQAPDRHVTHI-SCZZXKLOSA-N 1 2 248.348 0.398 20 0 BCADLO CC[S@](=O)CCNc1cc[nH+]c(C)n1 ZINC000127188302 590589531 /nfs/dbraw/zinc/58/95/31/590589531.db2.gz NXZWOIRUSGMQGR-CQSZACIVSA-N 1 2 213.306 0.966 20 0 BCADLO FC(F)C[C@@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000878612287 590596345 /nfs/dbraw/zinc/59/63/45/590596345.db2.gz ZAYGRJNQJMEJII-MRVPVSSYSA-N 1 2 247.249 0.029 20 0 BCADLO FC(F)C[C@@H]1COCC[N@H+]1CCn1cnnn1 ZINC000878612287 590596346 /nfs/dbraw/zinc/59/63/46/590596346.db2.gz ZAYGRJNQJMEJII-MRVPVSSYSA-N 1 2 247.249 0.029 20 0 BCADLO CS(=O)(=O)CCCC[N@@H+]1CC[C@@H](F)C1 ZINC000878663777 590604987 /nfs/dbraw/zinc/60/49/87/590604987.db2.gz PUQSFYLMSHOWMN-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)CCCC[N@H+]1CC[C@@H](F)C1 ZINC000878663777 590604989 /nfs/dbraw/zinc/60/49/89/590604989.db2.gz PUQSFYLMSHOWMN-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CC1(C)OCC[C@@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878664529 590606208 /nfs/dbraw/zinc/60/62/08/590606208.db2.gz KMRWVIJMQQIYCR-QMMMGPOBSA-N 1 2 248.348 0.398 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878681299 590608513 /nfs/dbraw/zinc/60/85/13/590608513.db2.gz MHDCZTKRXXLOSV-AOOOYVTPSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC(=O)N1 ZINC000878679988 590608592 /nfs/dbraw/zinc/60/85/92/590608592.db2.gz OZOPTYCUPGCCNA-NOOOWODRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC(=O)N1 ZINC000878679988 590608594 /nfs/dbraw/zinc/60/85/94/590608594.db2.gz OZOPTYCUPGCCNA-NOOOWODRSA-N 1 2 238.331 0.764 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)n[nH]1 ZINC000878712015 590613665 /nfs/dbraw/zinc/61/36/65/590613665.db2.gz ULZUEZCECRVNQU-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)n[nH]1 ZINC000878712015 590613666 /nfs/dbraw/zinc/61/36/66/590613666.db2.gz ULZUEZCECRVNQU-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC000878720584 590615873 /nfs/dbraw/zinc/61/58/73/590615873.db2.gz NKNWSJGAGVVDRP-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC000878720584 590615875 /nfs/dbraw/zinc/61/58/75/590615875.db2.gz NKNWSJGAGVVDRP-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@H](O)C(C)C)C1 ZINC000878727272 590617285 /nfs/dbraw/zinc/61/72/85/590617285.db2.gz RLCHXJHKYRQBJX-NSHDSACASA-N 1 2 228.336 0.905 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878727272 590617287 /nfs/dbraw/zinc/61/72/87/590617287.db2.gz RLCHXJHKYRQBJX-NSHDSACASA-N 1 2 228.336 0.905 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CCF)[C@@H](C)C(=O)N1C ZINC000878751582 590618396 /nfs/dbraw/zinc/61/83/96/590618396.db2.gz BGZUXIUEQLPZFA-HLTSFMKQSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CCF)[C@@H](C)C(=O)N1C ZINC000878751582 590618397 /nfs/dbraw/zinc/61/83/97/590618397.db2.gz BGZUXIUEQLPZFA-HLTSFMKQSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC[S@@](C)=O ZINC000878751612 590618407 /nfs/dbraw/zinc/61/84/07/590618407.db2.gz BIXVUGWXVCNISE-MQPMOYQSSA-N 1 2 246.376 0.304 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC[S@@](C)=O ZINC000878751612 590618408 /nfs/dbraw/zinc/61/84/08/590618408.db2.gz BIXVUGWXVCNISE-MQPMOYQSSA-N 1 2 246.376 0.304 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CCF)[C@@H](C)C(=O)N1C ZINC000878751591 590618472 /nfs/dbraw/zinc/61/84/72/590618472.db2.gz BGZUXIUEQLPZFA-VGMNWLOBSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CCF)[C@@H](C)C(=O)N1C ZINC000878751591 590618473 /nfs/dbraw/zinc/61/84/73/590618473.db2.gz BGZUXIUEQLPZFA-VGMNWLOBSA-N 1 2 202.273 0.895 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCNC1=O ZINC000878770494 590620394 /nfs/dbraw/zinc/62/03/94/590620394.db2.gz YGIRUOOIEMMBNW-SECBINFHSA-N 1 2 233.271 0.277 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCC=C(Cl)C1 ZINC000878790811 590622390 /nfs/dbraw/zinc/62/23/90/590622390.db2.gz WCSJLNPIMKFGSC-UHFFFAOYSA-N 1 2 229.711 0.840 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878790811 590622391 /nfs/dbraw/zinc/62/23/91/590622391.db2.gz WCSJLNPIMKFGSC-UHFFFAOYSA-N 1 2 229.711 0.840 20 0 BCADLO CS(=O)(=O)NCC[N@@H+]1CCC=C(Cl)C1 ZINC000878794017 590624442 /nfs/dbraw/zinc/62/44/42/590624442.db2.gz QCVFMEXCOQMMSE-UHFFFAOYSA-N 1 2 238.740 0.364 20 0 BCADLO CS(=O)(=O)NCC[N@H+]1CCC=C(Cl)C1 ZINC000878794017 590624443 /nfs/dbraw/zinc/62/44/43/590624443.db2.gz QCVFMEXCOQMMSE-UHFFFAOYSA-N 1 2 238.740 0.364 20 0 BCADLO FC(F)OCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878824940 590628876 /nfs/dbraw/zinc/62/88/76/590628876.db2.gz SOCURIYWXSVYRF-UHFFFAOYSA-N 1 2 247.249 0.166 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H](O)CC(C)(C)O)n1 ZINC000878848228 590632474 /nfs/dbraw/zinc/63/24/74/590632474.db2.gz LCZIUOLVINYDSR-VIFPVBQESA-N 1 2 243.307 0.332 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H](O)CC(C)(C)O)n1 ZINC000878848228 590632477 /nfs/dbraw/zinc/63/24/77/590632477.db2.gz LCZIUOLVINYDSR-VIFPVBQESA-N 1 2 243.307 0.332 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccon2)CC1 ZINC000879043175 590685873 /nfs/dbraw/zinc/68/58/73/590685873.db2.gz FYXPPPBTNBLTSL-JTQLQIEISA-N 1 2 241.266 0.710 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H]2COCO2)cc[nH+]1 ZINC000879068812 590692493 /nfs/dbraw/zinc/69/24/93/590692493.db2.gz DDOZAZNASJFBGT-SNVBAGLBSA-N 1 2 237.259 0.306 20 0 BCADLO Cc1cc(NC(=O)N2CC=C[C@H]2CO)c(C)c[nH+]1 ZINC000879075386 590693367 /nfs/dbraw/zinc/69/33/67/590693367.db2.gz JNWKJTDJECBNGG-NSHDSACASA-N 1 2 247.298 0.885 20 0 BCADLO Cc1noc(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000879130219 590698839 /nfs/dbraw/zinc/69/88/39/590698839.db2.gz BUBDQPMKXJPWRF-UHFFFAOYSA-N 1 2 236.235 0.433 20 0 BCADLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCC(C)=O ZINC000879153593 590705176 /nfs/dbraw/zinc/70/51/76/590705176.db2.gz IBKYPWVZAUTTGN-CMPLNLGQSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCC(C)=O ZINC000879153593 590705181 /nfs/dbraw/zinc/70/51/81/590705181.db2.gz IBKYPWVZAUTTGN-CMPLNLGQSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cn[nH]c1C ZINC000879188867 590710750 /nfs/dbraw/zinc/71/07/50/590710750.db2.gz RLNSDOQUWYRMLJ-NSHDSACASA-N 1 2 241.291 0.074 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000879188867 590710751 /nfs/dbraw/zinc/71/07/51/590710751.db2.gz RLNSDOQUWYRMLJ-NSHDSACASA-N 1 2 241.291 0.074 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnsn2)[C@](C)(CO)C1 ZINC000879262428 590724616 /nfs/dbraw/zinc/72/46/16/590724616.db2.gz WLXDMHUVDSFWKL-UWVGGRQHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnsn2)[C@](C)(CO)C1 ZINC000879262428 590724621 /nfs/dbraw/zinc/72/46/21/590724621.db2.gz WLXDMHUVDSFWKL-UWVGGRQHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](CCc2cnn[nH]2)C1 ZINC000879327554 590748368 /nfs/dbraw/zinc/74/83/68/590748368.db2.gz WMELWGVFUNZLAM-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](CCc2cnn[nH]2)C1 ZINC000879327554 590748371 /nfs/dbraw/zinc/74/83/71/590748371.db2.gz WMELWGVFUNZLAM-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CC(C)([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCCO1 ZINC000879406069 590761811 /nfs/dbraw/zinc/76/18/11/590761811.db2.gz LDBWWWVGMDQTMS-MRVPVSSYSA-N 1 2 240.307 0.948 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000879616473 590824589 /nfs/dbraw/zinc/82/45/89/590824589.db2.gz BXJIQRSTBSIHFT-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cc1noc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000879616473 590824590 /nfs/dbraw/zinc/82/45/90/590824590.db2.gz BXJIQRSTBSIHFT-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO O[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000879608753 590828682 /nfs/dbraw/zinc/82/86/82/590828682.db2.gz XHIXQNKIHXBILE-RQJHMYQMSA-N 1 2 226.103 0.733 20 0 BCADLO O[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000879608753 590828684 /nfs/dbraw/zinc/82/86/84/590828684.db2.gz XHIXQNKIHXBILE-RQJHMYQMSA-N 1 2 226.103 0.733 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879612846 590830594 /nfs/dbraw/zinc/83/05/94/590830594.db2.gz QJHQSPUVXMTQKK-YIZRAAEISA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879612846 590830596 /nfs/dbraw/zinc/83/05/96/590830596.db2.gz QJHQSPUVXMTQKK-YIZRAAEISA-N 1 2 241.291 0.121 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879623687 590836984 /nfs/dbraw/zinc/83/69/84/590836984.db2.gz XTDOVSYVCUTVDA-VIFPVBQESA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879623687 590836986 /nfs/dbraw/zinc/83/69/86/590836986.db2.gz XTDOVSYVCUTVDA-VIFPVBQESA-N 1 2 238.335 0.960 20 0 BCADLO C[C@@H]([NH2+]Cc1cnon1)c1ccnn1C ZINC000879687940 590848797 /nfs/dbraw/zinc/84/87/97/590848797.db2.gz YPLULZBTKDMIEB-SSDOTTSWSA-N 1 2 207.237 0.654 20 0 BCADLO CCC(=O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879948616 590894814 /nfs/dbraw/zinc/89/48/14/590894814.db2.gz LMWQIUXYQPJBRG-INIZCTEOSA-N 1 2 247.364 0.565 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](C)O ZINC000879981431 590903311 /nfs/dbraw/zinc/90/33/11/590903311.db2.gz PRYVRYNIRIIHNM-SCZZXKLOSA-N 1 2 215.293 0.689 20 0 BCADLO O=C1C[N@H+](CC2CC=CC2)C2(COC2)CN1 ZINC000880163241 590947786 /nfs/dbraw/zinc/94/77/86/590947786.db2.gz LRRCNIZSQJVLKA-UHFFFAOYSA-N 1 2 222.288 0.153 20 0 BCADLO O=C1C[N@@H+](CC2CC=CC2)C2(COC2)CN1 ZINC000880163241 590947787 /nfs/dbraw/zinc/94/77/87/590947787.db2.gz LRRCNIZSQJVLKA-UHFFFAOYSA-N 1 2 222.288 0.153 20 0 BCADLO Cn1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)n1 ZINC000880168247 590949031 /nfs/dbraw/zinc/94/90/31/590949031.db2.gz FXRDQGIVPUDZPA-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO Cn1ccc(C[N@H+]2CCNC(=O)CC23CCC3)n1 ZINC000880168247 590949032 /nfs/dbraw/zinc/94/90/32/590949032.db2.gz FXRDQGIVPUDZPA-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880235214 590967161 /nfs/dbraw/zinc/96/71/61/590967161.db2.gz ZHGLSEAYCWBCDV-SECBINFHSA-N 1 2 212.272 0.997 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880235214 590967162 /nfs/dbraw/zinc/96/71/62/590967162.db2.gz ZHGLSEAYCWBCDV-SECBINFHSA-N 1 2 212.272 0.997 20 0 BCADLO Nc1ccnc(C[NH+]2CCC(F)CC2)n1 ZINC000880239548 590972305 /nfs/dbraw/zinc/97/23/05/590972305.db2.gz KZATZEHSXKQVDC-UHFFFAOYSA-N 1 2 210.256 0.993 20 0 BCADLO C[C@@H](c1nnnn1C)[NH+]1CCC(F)CC1 ZINC000880240054 590974212 /nfs/dbraw/zinc/97/42/12/590974212.db2.gz LAOCPXCDHFXWPH-ZETCQYMHSA-N 1 2 213.260 0.705 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000880305868 590998600 /nfs/dbraw/zinc/99/86/00/590998600.db2.gz ZTCDIXRLSOQOIX-HTRCEHHLSA-N 1 2 240.225 0.513 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000880305868 590998602 /nfs/dbraw/zinc/99/86/02/590998602.db2.gz ZTCDIXRLSOQOIX-HTRCEHHLSA-N 1 2 240.225 0.513 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880340831 591007598 /nfs/dbraw/zinc/00/75/98/591007598.db2.gz MCTBDKGADCETAT-QWRGUYRKSA-N 1 2 245.319 0.315 20 0 BCADLO C[S@@](=O)CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880366334 591012241 /nfs/dbraw/zinc/01/22/41/591012241.db2.gz GVNLCZCPDXTDCY-MRXNPFEDSA-N 1 2 239.344 0.824 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000880419210 591027649 /nfs/dbraw/zinc/02/76/49/591027649.db2.gz VFDVXHUBHPTIQG-ONGXEEELSA-N 1 2 205.261 0.352 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000880419210 591027653 /nfs/dbraw/zinc/02/76/53/591027653.db2.gz VFDVXHUBHPTIQG-ONGXEEELSA-N 1 2 205.261 0.352 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1csnn1 ZINC000880437659 591039591 /nfs/dbraw/zinc/03/95/91/591039591.db2.gz OUYXKPJDZHCNEI-NXEZZACHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1csnn1 ZINC000880437659 591039595 /nfs/dbraw/zinc/03/95/95/591039595.db2.gz OUYXKPJDZHCNEI-NXEZZACHSA-N 1 2 243.332 0.774 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1csnn1 ZINC000880444851 591046210 /nfs/dbraw/zinc/04/62/10/591046210.db2.gz ZJWDBSTZFSVEHT-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1csnn1 ZINC000880444851 591046215 /nfs/dbraw/zinc/04/62/15/591046215.db2.gz ZJWDBSTZFSVEHT-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880483109 591050615 /nfs/dbraw/zinc/05/06/15/591050615.db2.gz AYONGZRPODBJBB-VIFPVBQESA-N 1 2 213.277 0.561 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880483109 591050618 /nfs/dbraw/zinc/05/06/18/591050618.db2.gz AYONGZRPODBJBB-VIFPVBQESA-N 1 2 213.277 0.561 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000880470608 591052106 /nfs/dbraw/zinc/05/21/06/591052106.db2.gz PHUAHNJUACDLNT-DTWKUNHWSA-N 1 2 240.307 0.805 20 0 BCADLO O=C(C[N@H+]1CC=C[C@H]1CO)NCc1ccco1 ZINC000880484574 591059542 /nfs/dbraw/zinc/05/95/42/591059542.db2.gz QDLKAVWFINHXLK-JTQLQIEISA-N 1 2 236.271 0.129 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@H]1CO)NCc1ccco1 ZINC000880484574 591059546 /nfs/dbraw/zinc/05/95/46/591059546.db2.gz QDLKAVWFINHXLK-JTQLQIEISA-N 1 2 236.271 0.129 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880493097 591071993 /nfs/dbraw/zinc/07/19/93/591071993.db2.gz YXUUGURNPOCLMM-SECBINFHSA-N 1 2 208.265 0.031 20 0 BCADLO CCn1ncnc1C[N@H+]1CC=C[C@@H]1CO ZINC000880493097 591071995 /nfs/dbraw/zinc/07/19/95/591071995.db2.gz YXUUGURNPOCLMM-SECBINFHSA-N 1 2 208.265 0.031 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880506301 591079334 /nfs/dbraw/zinc/07/93/34/591079334.db2.gz BORRHGVGVXMQCU-UMNHJUIQSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC000880565099 591093491 /nfs/dbraw/zinc/09/34/91/591093491.db2.gz WMFRPCSYYGRMNV-JTQLQIEISA-N 1 2 242.300 0.253 20 0 BCADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC000880565099 591093493 /nfs/dbraw/zinc/09/34/93/591093493.db2.gz WMFRPCSYYGRMNV-JTQLQIEISA-N 1 2 242.300 0.253 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2ncncc2C1 ZINC000880595669 591105399 /nfs/dbraw/zinc/10/53/99/591105399.db2.gz UHGRRKYXAPRXJY-SNVBAGLBSA-N 1 2 220.276 0.099 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2ncncc2C1 ZINC000880595669 591105402 /nfs/dbraw/zinc/10/54/02/591105402.db2.gz UHGRRKYXAPRXJY-SNVBAGLBSA-N 1 2 220.276 0.099 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCc2ncncc2C1 ZINC000880599558 591108031 /nfs/dbraw/zinc/10/80/31/591108031.db2.gz MDASRTHOAHWZGF-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCn1ncnc1C[N@H+]1CCc2ncncc2C1 ZINC000880599558 591108033 /nfs/dbraw/zinc/10/80/33/591108033.db2.gz MDASRTHOAHWZGF-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CON(C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000880643036 591114927 /nfs/dbraw/zinc/11/49/27/591114927.db2.gz ZHTQHFYWORFBQM-UHFFFAOYSA-N 1 2 248.286 0.557 20 0 BCADLO CON(C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000880647139 591117802 /nfs/dbraw/zinc/11/78/02/591117802.db2.gz MOAYMBCEUFOZJP-SECBINFHSA-N 1 2 240.307 0.198 20 0 BCADLO CON(C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000880647139 591117806 /nfs/dbraw/zinc/11/78/06/591117806.db2.gz MOAYMBCEUFOZJP-SECBINFHSA-N 1 2 240.307 0.198 20 0 BCADLO CON(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000880647143 591117942 /nfs/dbraw/zinc/11/79/42/591117942.db2.gz MTPQCRMLIVWGHV-JTQLQIEISA-N 1 2 240.307 0.444 20 0 BCADLO C[C@@H](NC(=O)COC1CC1)c1[nH+]ccn1C ZINC000880721779 591126153 /nfs/dbraw/zinc/12/61/53/591126153.db2.gz GBBJPUZKPHBZOT-MRVPVSSYSA-N 1 2 223.276 0.776 20 0 BCADLO CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880809645 591140943 /nfs/dbraw/zinc/14/09/43/591140943.db2.gz CSQBGWAGLURHTO-UHFFFAOYSA-N 1 2 223.280 0.470 20 0 BCADLO CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880809645 591140947 /nfs/dbraw/zinc/14/09/47/591140947.db2.gz CSQBGWAGLURHTO-UHFFFAOYSA-N 1 2 223.280 0.470 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888848739 591152808 /nfs/dbraw/zinc/15/28/08/591152808.db2.gz GYCCBIDJXXMVNE-OQEOFVATSA-N 1 2 247.298 0.565 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCCC2CC2)nn1 ZINC000881322945 591190121 /nfs/dbraw/zinc/19/01/21/591190121.db2.gz UOEADUIXLUKQEA-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCCC2CC2)nn1 ZINC000881322945 591190124 /nfs/dbraw/zinc/19/01/24/591190124.db2.gz UOEADUIXLUKQEA-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO COC(=O)Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000881324690 591191657 /nfs/dbraw/zinc/19/16/57/591191657.db2.gz ZBCRCKSQGUYMMM-UHFFFAOYSA-N 1 2 246.270 0.745 20 0 BCADLO CC[C@H](C(=O)NCc1c[nH+]cn1C)[C@H](C)O ZINC000881450074 591205260 /nfs/dbraw/zinc/20/52/60/591205260.db2.gz QQRXSBHLDNFCGJ-WPRPVWTQSA-N 1 2 225.292 0.443 20 0 BCADLO C[C@@H](C(=O)N1CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000881480377 591208869 /nfs/dbraw/zinc/20/88/69/591208869.db2.gz SILPXJKPFJSEAM-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO C=C/C=C\CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000881569029 591243801 /nfs/dbraw/zinc/24/38/01/591243801.db2.gz ZYCCYXZRABHDKC-FOQNGQEVSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C=C\CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000881569029 591243804 /nfs/dbraw/zinc/24/38/04/591243804.db2.gz ZYCCYXZRABHDKC-FOQNGQEVSA-N 1 2 238.331 0.956 20 0 BCADLO CCCNc1cc(N(C)CC(=O)NC)nc[nH+]1 ZINC000129139076 591259593 /nfs/dbraw/zinc/25/95/93/591259593.db2.gz RNAGYLCQIBTHSN-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CCCNc1cc(N(C)CC(=O)NC)[nH+]cn1 ZINC000129139076 591259594 /nfs/dbraw/zinc/25/95/94/591259594.db2.gz RNAGYLCQIBTHSN-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO O=C1NCCCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000881838228 591273563 /nfs/dbraw/zinc/27/35/63/591273563.db2.gz KEKZCEIPOOZRBL-SNVBAGLBSA-N 1 2 235.287 0.655 20 0 BCADLO Cc1[nH+]cnc(NCCCS(N)(=O)=O)c1C ZINC000881834059 591273872 /nfs/dbraw/zinc/27/38/72/591273872.db2.gz JEYFTVWUNMBQSO-UHFFFAOYSA-N 1 2 244.320 0.184 20 0 BCADLO CCS(=O)(=O)CCNc1nc[nH+]c(C)c1C ZINC000881911932 591278258 /nfs/dbraw/zinc/27/82/58/591278258.db2.gz MILAFXUCKQQQRB-UHFFFAOYSA-N 1 2 243.332 0.940 20 0 BCADLO Cn1cc([C@H](O)CNc2cc[nH+]cc2F)cn1 ZINC000882018954 591288032 /nfs/dbraw/zinc/28/80/32/591288032.db2.gz INYABQXCSSCUGG-LLVKDONJSA-N 1 2 236.250 0.522 20 0 BCADLO O=C1OC[C@@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000882099379 591298209 /nfs/dbraw/zinc/29/82/09/591298209.db2.gz MZTJVRLBYHHNOT-QMMMGPOBSA-N 1 2 237.234 0.862 20 0 BCADLO Cc1[nH+]cnc(NCCNC(=O)N(C)C)c1C ZINC000882152416 591306623 /nfs/dbraw/zinc/30/66/23/591306623.db2.gz HDCBJASXXRITOY-UHFFFAOYSA-N 1 2 237.307 0.777 20 0 BCADLO Cc1[nH+]cnc(N(C)C[C@@H](C)c2nn[nH]n2)c1C ZINC000882181799 591312496 /nfs/dbraw/zinc/31/24/96/591312496.db2.gz KSUIYDJBGLAFRG-SSDOTTSWSA-N 1 2 247.306 0.846 20 0 BCADLO CCN(C)C(=O)CNc1nc[nH+]c(C)c1C ZINC000882204030 591315890 /nfs/dbraw/zinc/31/58/90/591315890.db2.gz FJQQNRIRJKHQOI-UHFFFAOYSA-N 1 2 222.292 0.984 20 0 BCADLO CCOC(=O)c1cnn(Cc2[nH+]ccn2C)n1 ZINC000882209918 591316386 /nfs/dbraw/zinc/31/63/86/591316386.db2.gz RMQYKEGULCZFNZ-UHFFFAOYSA-N 1 2 235.247 0.237 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C1CCC1 ZINC000882382776 591340076 /nfs/dbraw/zinc/34/00/76/591340076.db2.gz IRMNJIGYWBYZNO-UHFFFAOYSA-N 1 2 229.305 0.724 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C1CCC1 ZINC000882382776 591340079 /nfs/dbraw/zinc/34/00/79/591340079.db2.gz IRMNJIGYWBYZNO-UHFFFAOYSA-N 1 2 229.305 0.724 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](O)Cn2ccnn2)c1C ZINC000882442037 591350248 /nfs/dbraw/zinc/35/02/48/591350248.db2.gz BEMBPNZJPNFAJJ-JTQLQIEISA-N 1 2 248.290 0.158 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H]2CNC(=O)C2)c1C ZINC000882452667 591350769 /nfs/dbraw/zinc/35/07/69/591350769.db2.gz POPVPTPUCUXCQG-VIFPVBQESA-N 1 2 220.276 0.641 20 0 BCADLO Cc1[nH+]cnc(NC[C@H]2COCO2)c1C ZINC000882448893 591351048 /nfs/dbraw/zinc/35/10/48/591351048.db2.gz SMMVGVLLWOPEBJ-VIFPVBQESA-N 1 2 209.249 0.878 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882471754 591354062 /nfs/dbraw/zinc/35/40/62/591354062.db2.gz BYOOCANTAUKCCL-SNVBAGLBSA-N 1 2 234.303 0.666 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000882485926 591362023 /nfs/dbraw/zinc/36/20/23/591362023.db2.gz GKFBLNODHXSWDZ-JTQLQIEISA-N 1 2 236.319 0.851 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000882485926 591362024 /nfs/dbraw/zinc/36/20/24/591362024.db2.gz GKFBLNODHXSWDZ-JTQLQIEISA-N 1 2 236.319 0.851 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000882485929 591362195 /nfs/dbraw/zinc/36/21/95/591362195.db2.gz GKFBLNODHXSWDZ-SNVBAGLBSA-N 1 2 236.319 0.851 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000882485929 591362199 /nfs/dbraw/zinc/36/21/99/591362199.db2.gz GKFBLNODHXSWDZ-SNVBAGLBSA-N 1 2 236.319 0.851 20 0 BCADLO CON(C)CCNc1nc[nH+]c(C)c1C ZINC000882562738 591391924 /nfs/dbraw/zinc/39/19/24/591391924.db2.gz ILPKJHGSEBVCIR-UHFFFAOYSA-N 1 2 210.281 0.999 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2C[C@H](C(N)=O)C2)c1C ZINC000882651717 591406952 /nfs/dbraw/zinc/40/69/52/591406952.db2.gz IHFWCNVANYXQDX-KYZUINATSA-N 1 2 220.276 0.769 20 0 BCADLO Cc1ncnc(NC[C@H]2COCC[N@H+]2C)c1C ZINC000882659041 591407936 /nfs/dbraw/zinc/40/79/36/591407936.db2.gz NSUMTLAZVWAXBM-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1ncnc(NC[C@H]2COCC[N@@H+]2C)c1C ZINC000882659041 591407938 /nfs/dbraw/zinc/40/79/38/591407938.db2.gz NSUMTLAZVWAXBM-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000882708817 591416996 /nfs/dbraw/zinc/41/69/96/591416996.db2.gz BWJWZGGXYJDVFG-KOLCDFICSA-N 1 2 237.303 0.334 20 0 BCADLO C[C@H](O)c1ccc(N(C)CC(=O)N(C)C)[nH+]c1 ZINC000213224942 591456469 /nfs/dbraw/zinc/45/64/69/591456469.db2.gz XYPPVEZDOLKGCA-VIFPVBQESA-N 1 2 237.303 0.659 20 0 BCADLO CCN(CC(=O)NC)c1ccc([C@H](C)O)c[nH+]1 ZINC000213252910 591456833 /nfs/dbraw/zinc/45/68/33/591456833.db2.gz ARTXQBMYUXEATH-VIFPVBQESA-N 1 2 237.303 0.707 20 0 BCADLO NC(=[NH+]OCCN1CCOC1=O)[C@@H]1CCCO1 ZINC000882990708 591498269 /nfs/dbraw/zinc/49/82/69/591498269.db2.gz WKXGSVLLQMPMBX-QMMMGPOBSA-N 1 2 243.263 0.116 20 0 BCADLO C[C@H]1CCC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000130688988 591500067 /nfs/dbraw/zinc/50/00/67/591500067.db2.gz DDPZEVLWWDXMOH-JTQLQIEISA-N 1 2 247.302 0.580 20 0 BCADLO C[C@H]1CCC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000130688988 591500072 /nfs/dbraw/zinc/50/00/72/591500072.db2.gz DDPZEVLWWDXMOH-JTQLQIEISA-N 1 2 247.302 0.580 20 0 BCADLO C[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000130689693 591500362 /nfs/dbraw/zinc/50/03/62/591500362.db2.gz ZAASQAATIKGJJQ-SECBINFHSA-N 1 2 210.281 0.271 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000130689693 591500365 /nfs/dbraw/zinc/50/03/65/591500365.db2.gz ZAASQAATIKGJJQ-SECBINFHSA-N 1 2 210.281 0.271 20 0 BCADLO Cn1cnn(C[NH+]2CCCCCCC2)c1=O ZINC000130715655 591504705 /nfs/dbraw/zinc/50/47/05/591504705.db2.gz VGYVZTCMEYCCIR-UHFFFAOYSA-N 1 2 224.308 0.805 20 0 BCADLO CN(C(=O)CO[NH+]=C(N)CO)C1CCCCC1 ZINC000883009454 591509642 /nfs/dbraw/zinc/50/96/42/591509642.db2.gz IJEQHWWLMDIBBS-UHFFFAOYSA-N 1 2 243.307 0.268 20 0 BCADLO NC(CO)=[NH+]OC1CC(CF)(CF)C1 ZINC000883013625 591514259 /nfs/dbraw/zinc/51/42/59/591514259.db2.gz UTGBWCISGRSPNX-UHFFFAOYSA-N 1 2 208.208 0.565 20 0 BCADLO CO[C@H](CO[NH+]=C(N)CO)C1CCCC1 ZINC000883013555 591514426 /nfs/dbraw/zinc/51/44/26/591514426.db2.gz RUZVZNCUCNNXQE-SECBINFHSA-N 1 2 216.281 0.682 20 0 BCADLO COc1cc(CO[NH+]=C(N)CO)ccc1C ZINC000883013473 591514433 /nfs/dbraw/zinc/51/44/33/591514433.db2.gz PHACSQHXMDZLFO-UHFFFAOYSA-N 1 2 224.260 0.994 20 0 BCADLO CC(C)c1c[nH]c(CNCc2cnn(C)n2)[nH+]1 ZINC000883119639 591542613 /nfs/dbraw/zinc/54/26/13/591542613.db2.gz FPWDIXAVLLJCCR-UHFFFAOYSA-N 1 2 234.307 0.951 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CC(N)=O)C(C)(C)C ZINC000131297920 591586875 /nfs/dbraw/zinc/58/68/75/591586875.db2.gz ZRNSASVWRJHZRN-VIFPVBQESA-N 1 2 244.335 0.914 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CC(N)=O)C(C)(C)C ZINC000131297920 591586879 /nfs/dbraw/zinc/58/68/79/591586879.db2.gz ZRNSASVWRJHZRN-VIFPVBQESA-N 1 2 244.335 0.914 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccoc1 ZINC000883269834 591603321 /nfs/dbraw/zinc/60/33/21/591603321.db2.gz XYEAHEOGGWXLSJ-LLVKDONJSA-N 1 2 235.287 0.944 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000214567391 591635291 /nfs/dbraw/zinc/63/52/91/591635291.db2.gz YBRRFDIZJSXRHQ-CYNRKNSPSA-N 1 2 240.303 0.316 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C(\C)C(=O)OC ZINC000214567391 591635294 /nfs/dbraw/zinc/63/52/94/591635294.db2.gz YBRRFDIZJSXRHQ-CYNRKNSPSA-N 1 2 240.303 0.316 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1C[C@@H]2C[C@]2(O)C1 ZINC000883717750 591726372 /nfs/dbraw/zinc/72/63/72/591726372.db2.gz PXYLHUFKHREFPF-SBMIAAHKSA-N 1 2 248.286 0.104 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000889330415 591765361 /nfs/dbraw/zinc/76/53/61/591765361.db2.gz ADICNBALUPWNKE-IUCAKERBSA-N 1 2 223.276 0.588 20 0 BCADLO COc1nn(C)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000883961184 591782773 /nfs/dbraw/zinc/78/27/73/591782773.db2.gz WVIFNZQSMUVQCE-UHFFFAOYSA-N 1 2 246.270 0.806 20 0 BCADLO COc1nn(C)cc1C(=O)Nc1cc[nH+]cc1C ZINC000883961178 591783388 /nfs/dbraw/zinc/78/33/88/591783388.db2.gz WSMPKJZLYOHWKN-UHFFFAOYSA-N 1 2 246.270 0.806 20 0 BCADLO CCn1cc(C[NH+]2CCC(CO)CC2)nn1 ZINC000883998330 591790086 /nfs/dbraw/zinc/79/00/86/591790086.db2.gz HUFYFJRFNHSBTC-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1ncn(C)c1=O ZINC000133421479 591792105 /nfs/dbraw/zinc/79/21/05/591792105.db2.gz IVBDSYPXXZMTHV-DTWKUNHWSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1ncn(C)c1=O ZINC000133421479 591792109 /nfs/dbraw/zinc/79/21/09/591792109.db2.gz IVBDSYPXXZMTHV-DTWKUNHWSA-N 1 2 210.281 0.270 20 0 BCADLO CC(=O)CCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800093506 591821316 /nfs/dbraw/zinc/82/13/16/591821316.db2.gz PENWVGKQSAWLBF-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC(=O)CCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800093506 591821319 /nfs/dbraw/zinc/82/13/19/591821319.db2.gz PENWVGKQSAWLBF-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096900 591821892 /nfs/dbraw/zinc/82/18/92/591821892.db2.gz IWYNGPYRXHGBAV-GMTAPVOTSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096900 591821896 /nfs/dbraw/zinc/82/18/96/591821896.db2.gz IWYNGPYRXHGBAV-GMTAPVOTSA-N 1 2 227.304 0.906 20 0 BCADLO CC(=O)CCC(=O)OCCC[NH+]1CCOCC1 ZINC000800097453 591822124 /nfs/dbraw/zinc/82/21/24/591822124.db2.gz UWOQUKPXOHQCKC-UHFFFAOYSA-N 1 2 243.303 0.621 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096898 591822102 /nfs/dbraw/zinc/82/21/02/591822102.db2.gz IWYNGPYRXHGBAV-AXFHLTTASA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096898 591822105 /nfs/dbraw/zinc/82/21/05/591822105.db2.gz IWYNGPYRXHGBAV-AXFHLTTASA-N 1 2 227.304 0.906 20 0 BCADLO CCOCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800099340 591822388 /nfs/dbraw/zinc/82/23/88/591822388.db2.gz IOFQEKZASYSBAD-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800099340 591822391 /nfs/dbraw/zinc/82/23/91/591822391.db2.gz IOFQEKZASYSBAD-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CCOC2)CCO1 ZINC000800152110 591828592 /nfs/dbraw/zinc/82/85/92/591828592.db2.gz SVPPKMZQZPSWSW-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CCOC2)CCO1 ZINC000800152110 591828594 /nfs/dbraw/zinc/82/85/94/591828594.db2.gz SVPPKMZQZPSWSW-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C(C)(C)O)CCO1 ZINC000800157228 591829135 /nfs/dbraw/zinc/82/91/35/591829135.db2.gz DCCSRMHUFULFKW-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C(C)(C)O)CCO1 ZINC000800157228 591829138 /nfs/dbraw/zinc/82/91/38/591829138.db2.gz DCCSRMHUFULFKW-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CO[C@@H](C)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800155867 591829256 /nfs/dbraw/zinc/82/92/56/591829256.db2.gz ZDQYCDOXJFTOJL-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@@H](C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800155867 591829260 /nfs/dbraw/zinc/82/92/60/591829260.db2.gz ZDQYCDOXJFTOJL-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H](O)C2CC2)CCO1 ZINC000800163836 591830611 /nfs/dbraw/zinc/83/06/11/591830611.db2.gz AUCIOXDOUVHHDJ-MWLCHTKSSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H](O)C2CC2)CCO1 ZINC000800163836 591830612 /nfs/dbraw/zinc/83/06/12/591830612.db2.gz AUCIOXDOUVHHDJ-MWLCHTKSSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800202880 591837153 /nfs/dbraw/zinc/83/71/53/591837153.db2.gz IWYNGPYRXHGBAV-DCAQKATOSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800202880 591837157 /nfs/dbraw/zinc/83/71/57/591837157.db2.gz IWYNGPYRXHGBAV-DCAQKATOSA-N 1 2 227.304 0.906 20 0 BCADLO CSC[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000133834732 591861573 /nfs/dbraw/zinc/86/15/73/591861573.db2.gz WSCYUCYXNAJAAU-SECBINFHSA-N 1 2 242.348 0.367 20 0 BCADLO CSC[C@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000133834732 591861575 /nfs/dbraw/zinc/86/15/75/591861575.db2.gz WSCYUCYXNAJAAU-SECBINFHSA-N 1 2 242.348 0.367 20 0 BCADLO CN(CCCF)C(=O)NCCc1cn(C)c[nH+]1 ZINC000884406191 591926457 /nfs/dbraw/zinc/92/64/57/591926457.db2.gz OBCCHTHPQWBQSI-UHFFFAOYSA-N 1 2 242.298 0.964 20 0 BCADLO CCc1nc(N[C@H](CO)CCOC)cc[nH+]1 ZINC000884495984 591956959 /nfs/dbraw/zinc/95/69/59/591956959.db2.gz IWKBWDJENGAPGI-VIFPVBQESA-N 1 2 225.292 0.848 20 0 BCADLO CCc1nc(N2CC[C@H](CC(N)=O)C2)cc[nH+]1 ZINC000884509809 591961161 /nfs/dbraw/zinc/96/11/61/591961161.db2.gz QAUKGCXPJWOQEA-SECBINFHSA-N 1 2 234.303 0.741 20 0 BCADLO CCc1nc(NCC(C)(CO)CO)cc[nH+]1 ZINC000884515838 591963249 /nfs/dbraw/zinc/96/32/49/591963249.db2.gz UAKIIFJVXAOMIB-UHFFFAOYSA-N 1 2 225.292 0.442 20 0 BCADLO CCc1nc(NCCn2cnnc2)cc[nH+]1 ZINC000884518420 591964155 /nfs/dbraw/zinc/96/41/55/591964155.db2.gz OMOIEPFAMSGJIM-UHFFFAOYSA-N 1 2 218.264 0.743 20 0 BCADLO CCc1nc(N[C@H]2CCCNC2=O)cc[nH+]1 ZINC000884519299 591964349 /nfs/dbraw/zinc/96/43/49/591964349.db2.gz OZKVRSPGOPDLDA-QMMMGPOBSA-N 1 2 220.276 0.730 20 0 BCADLO CCc1nc(N2C[C@@H](O)[C@H](OC)C2)cc[nH+]1 ZINC000884522598 591965837 /nfs/dbraw/zinc/96/58/37/591965837.db2.gz CAKRMOJWZWYWIT-RKDXNWHRSA-N 1 2 223.276 0.235 20 0 BCADLO CCc1nc(N2CC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000884524124 591966023 /nfs/dbraw/zinc/96/60/23/591966023.db2.gz PGKAMAMVZCATNZ-RKDXNWHRSA-N 1 2 207.277 0.999 20 0 BCADLO CCc1nc(NC[C@H]2COCO2)cc[nH+]1 ZINC000884529023 591967652 /nfs/dbraw/zinc/96/76/52/591967652.db2.gz CYLSCNISMMMIIU-QMMMGPOBSA-N 1 2 209.249 0.824 20 0 BCADLO CCc1nc(N2CC[C@@H](O)[C@H](CO)C2)cc[nH+]1 ZINC000884532565 591969334 /nfs/dbraw/zinc/96/93/34/591969334.db2.gz MDPNLCMULBLYDD-VHSXEESVSA-N 1 2 237.303 0.219 20 0 BCADLO CCc1nc(NCC(=O)N(CC)OC)cc[nH+]1 ZINC000884543398 591973699 /nfs/dbraw/zinc/97/36/99/591973699.db2.gz CXDFJBCFFXFLFQ-UHFFFAOYSA-N 1 2 238.291 0.861 20 0 BCADLO Cn1nccc1CC[NH2+]Cc1ccn[nH]1 ZINC000135033657 591974034 /nfs/dbraw/zinc/97/40/34/591974034.db2.gz XNSFWLNPIFFGFH-UHFFFAOYSA-N 1 2 205.265 0.476 20 0 BCADLO CCc1nc(N2C[C@@H]3COC(=O)[C@@H]3C2)cc[nH+]1 ZINC000884567226 591983354 /nfs/dbraw/zinc/98/33/54/591983354.db2.gz FHFCIBURZKPBBY-RKDXNWHRSA-N 1 2 233.271 0.648 20 0 BCADLO CCc1nc(N[C@@H]2COCC[C@H]2O)cc[nH+]1 ZINC000884572958 591984572 /nfs/dbraw/zinc/98/45/72/591984572.db2.gz ZUIULLAMYFAGAC-RKDXNWHRSA-N 1 2 223.276 0.601 20 0 BCADLO Cc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000884621115 591995097 /nfs/dbraw/zinc/99/50/97/591995097.db2.gz XTEKFOILXKVNBY-RTCCRHLQSA-N 1 2 249.314 0.959 20 0 BCADLO C[C@H](O)c1ccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]c1 ZINC000884622778 591995535 /nfs/dbraw/zinc/99/55/35/591995535.db2.gz ZKOBMUSVYIHPKD-DMLMCSCLSA-N 1 2 238.287 0.431 20 0 BCADLO CCc1nc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884622171 591995920 /nfs/dbraw/zinc/99/59/20/591995920.db2.gz HFAYQXUDUBJJTI-PSVAKVPMSA-N 1 2 223.276 0.335 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COC1CC1 ZINC000884658081 592005333 /nfs/dbraw/zinc/00/53/33/592005333.db2.gz WZZVJVZSEBGSDI-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)COC1CC1 ZINC000884659426 592006575 /nfs/dbraw/zinc/00/65/75/592006575.db2.gz RUACOJRCJVFCDF-UHFFFAOYSA-N 1 2 224.260 0.685 20 0 BCADLO Cc1nc(N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc[nH+]1 ZINC000884864026 592025890 /nfs/dbraw/zinc/02/58/90/592025890.db2.gz ONOILLINYUWQSS-MNOVXSKESA-N 1 2 246.314 0.985 20 0 BCADLO COCCOC(=O)N1CC[NH+](CCOC)CC1 ZINC000884902226 592027895 /nfs/dbraw/zinc/02/78/95/592027895.db2.gz SOSPGCWIXBKWRJ-UHFFFAOYSA-N 1 2 246.307 0.033 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000885056862 592041731 /nfs/dbraw/zinc/04/17/31/592041731.db2.gz VCICWKSZJPGZTR-MRVPVSSYSA-N 1 2 221.260 0.532 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccns1 ZINC000885069419 592045133 /nfs/dbraw/zinc/04/51/33/592045133.db2.gz STGGUUQRMDYGTC-UHFFFAOYSA-N 1 2 247.345 0.127 20 0 BCADLO COCCOC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000885123755 592054219 /nfs/dbraw/zinc/05/42/19/592054219.db2.gz RLGSULCHKYYQMK-JTQLQIEISA-N 1 2 246.307 0.080 20 0 BCADLO COCCOC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000885123755 592054220 /nfs/dbraw/zinc/05/42/20/592054220.db2.gz RLGSULCHKYYQMK-JTQLQIEISA-N 1 2 246.307 0.080 20 0 BCADLO Cc1ccc(COC(=O)c2nnn(C)n2)c(C)[nH+]1 ZINC000885321048 592065507 /nfs/dbraw/zinc/06/55/07/592065507.db2.gz WEOKYVXYEWKSCE-UHFFFAOYSA-N 1 2 247.258 0.579 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1=O ZINC000886018687 592132176 /nfs/dbraw/zinc/13/21/76/592132176.db2.gz GKCXARZSFADJCP-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1=O ZINC000886018687 592132179 /nfs/dbraw/zinc/13/21/79/592132179.db2.gz GKCXARZSFADJCP-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC1=O ZINC000886018686 592132405 /nfs/dbraw/zinc/13/24/05/592132405.db2.gz GKCXARZSFADJCP-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC1=O ZINC000886018686 592132406 /nfs/dbraw/zinc/13/24/06/592132406.db2.gz GKCXARZSFADJCP-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@](O)(C[N@@H+]1CCN(C2CC2)C(=O)C1)C(F)F ZINC000886032736 592135264 /nfs/dbraw/zinc/13/52/64/592135264.db2.gz MTQDBYWHNRSVMW-NSHDSACASA-N 1 2 248.273 0.309 20 0 BCADLO C[C@](O)(C[N@H+]1CCN(C2CC2)C(=O)C1)C(F)F ZINC000886032736 592135265 /nfs/dbraw/zinc/13/52/65/592135265.db2.gz MTQDBYWHNRSVMW-NSHDSACASA-N 1 2 248.273 0.309 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@](C)(O)C(F)F ZINC000886091449 592146665 /nfs/dbraw/zinc/14/66/65/592146665.db2.gz AEYSFTBOIDNHJR-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@](C)(O)C(F)F ZINC000886091449 592146666 /nfs/dbraw/zinc/14/66/66/592146666.db2.gz AEYSFTBOIDNHJR-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@](C)(O)C(F)F ZINC000886091449 592146667 /nfs/dbraw/zinc/14/66/67/592146667.db2.gz AEYSFTBOIDNHJR-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO CC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)C ZINC000137064569 592153630 /nfs/dbraw/zinc/15/36/30/592153630.db2.gz JPAAHWDNOZDCTG-UHFFFAOYSA-N 1 2 235.349 0.721 20 0 BCADLO CC(=O)CC[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000137064569 592153631 /nfs/dbraw/zinc/15/36/31/592153631.db2.gz JPAAHWDNOZDCTG-UHFFFAOYSA-N 1 2 235.349 0.721 20 0 BCADLO CC[N@H+](CC[NH2+][C@H](C)CC(=O)[O-])C1CC1 ZINC000218418361 592154078 /nfs/dbraw/zinc/15/40/78/592154078.db2.gz OOUJUYJHLWUQJT-SECBINFHSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@@H+](CC[NH2+][C@H](C)CC(=O)[O-])C1CC1 ZINC000218418361 592154079 /nfs/dbraw/zinc/15/40/79/592154079.db2.gz OOUJUYJHLWUQJT-SECBINFHSA-N 1 2 214.309 0.924 20 0 BCADLO CCN1CC[N@@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886134440 592160611 /nfs/dbraw/zinc/16/06/11/592160611.db2.gz RZLHYJAQKOLASV-JTQLQIEISA-N 1 2 236.262 0.167 20 0 BCADLO CCN1CC[N@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886134440 592160609 /nfs/dbraw/zinc/16/06/09/592160609.db2.gz RZLHYJAQKOLASV-JTQLQIEISA-N 1 2 236.262 0.167 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000886181553 592170788 /nfs/dbraw/zinc/17/07/88/592170788.db2.gz OBLBTBWQQORNBI-KOLCDFICSA-N 1 2 235.274 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000886181553 592170790 /nfs/dbraw/zinc/17/07/90/592170790.db2.gz OBLBTBWQQORNBI-KOLCDFICSA-N 1 2 235.274 0.972 20 0 BCADLO COCc1cc(C[NH2+][C@]23C[C@H]2COC3)no1 ZINC000886200277 592174998 /nfs/dbraw/zinc/17/49/98/592174998.db2.gz FZFICLITVYXMBA-KWQFWETISA-N 1 2 224.260 0.700 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)on1 ZINC000886329844 592210285 /nfs/dbraw/zinc/21/02/85/592210285.db2.gz JYVVQKXSQJKNIM-DTORHVGOSA-N 1 2 221.260 0.873 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)on1 ZINC000886329844 592210287 /nfs/dbraw/zinc/21/02/87/592210287.db2.gz JYVVQKXSQJKNIM-DTORHVGOSA-N 1 2 221.260 0.873 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886462793 592227534 /nfs/dbraw/zinc/22/75/34/592227534.db2.gz DQVFCTLQOVXKSS-NSHDSACASA-N 1 2 249.318 0.105 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886462793 592227537 /nfs/dbraw/zinc/22/75/37/592227537.db2.gz DQVFCTLQOVXKSS-NSHDSACASA-N 1 2 249.318 0.105 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H]1CC1CC1 ZINC000886464376 592228587 /nfs/dbraw/zinc/22/85/87/592228587.db2.gz USNIJACSLIJSJX-GFCCVEGCSA-N 1 2 249.314 0.911 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886466708 592229076 /nfs/dbraw/zinc/22/90/76/592229076.db2.gz HAEHZGDAJPHFSL-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO CCn1ncc(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886466708 592229079 /nfs/dbraw/zinc/22/90/79/592229079.db2.gz HAEHZGDAJPHFSL-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000886470754 592229609 /nfs/dbraw/zinc/22/96/09/592229609.db2.gz ZPWZRKCKWZWAKD-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000886470754 592229610 /nfs/dbraw/zinc/22/96/10/592229610.db2.gz ZPWZRKCKWZWAKD-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886529042 592246995 /nfs/dbraw/zinc/24/69/95/592246995.db2.gz VUNRTVDPCDWRKV-JGVFFNPUSA-N 1 2 211.265 0.850 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ncco1 ZINC000886528931 592247936 /nfs/dbraw/zinc/24/79/36/592247936.db2.gz TZMRYBATBAUFKS-DTWKUNHWSA-N 1 2 223.276 0.994 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ncco1 ZINC000886537383 592251198 /nfs/dbraw/zinc/25/11/98/592251198.db2.gz ZMMKYBSOFLUGRI-SFYZADRCSA-N 1 2 209.249 0.604 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]12 ZINC000886574155 592266576 /nfs/dbraw/zinc/26/65/76/592266576.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]12 ZINC000886574155 592266579 /nfs/dbraw/zinc/26/65/79/592266579.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]12 ZINC000886574155 592266583 /nfs/dbraw/zinc/26/65/83/592266583.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]12 ZINC000886574155 592266584 /nfs/dbraw/zinc/26/65/84/592266584.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]12 ZINC000886574155 592266587 /nfs/dbraw/zinc/26/65/87/592266587.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]12 ZINC000886574155 592266590 /nfs/dbraw/zinc/26/65/90/592266590.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 1 2 208.265 0.007 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H](C)OC)C2 ZINC000886623004 592279671 /nfs/dbraw/zinc/27/96/71/592279671.db2.gz ODPCZOVYMMRDFE-SECBINFHSA-N 1 2 237.303 0.823 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813235 592335653 /nfs/dbraw/zinc/33/56/53/592335653.db2.gz GZKXEGOMUOXZTO-MRVPVSSYSA-N 1 2 225.210 0.822 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813235 592335651 /nfs/dbraw/zinc/33/56/51/592335651.db2.gz GZKXEGOMUOXZTO-MRVPVSSYSA-N 1 2 225.210 0.822 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000886848887 592364504 /nfs/dbraw/zinc/36/45/04/592364504.db2.gz SCDPSKFEFWWZGZ-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000886848887 592364510 /nfs/dbraw/zinc/36/45/10/592364510.db2.gz SCDPSKFEFWWZGZ-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000886850716 592366768 /nfs/dbraw/zinc/36/67/68/592366768.db2.gz QCMBANKUIKQYEC-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000886850716 592366772 /nfs/dbraw/zinc/36/67/72/592366772.db2.gz QCMBANKUIKQYEC-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000886852519 592366925 /nfs/dbraw/zinc/36/69/25/592366925.db2.gz NDJGJPONOOUOAD-QMMMGPOBSA-N 1 2 240.263 0.308 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000886852519 592366930 /nfs/dbraw/zinc/36/69/30/592366930.db2.gz NDJGJPONOOUOAD-QMMMGPOBSA-N 1 2 240.263 0.308 20 0 BCADLO O=C(N[C@H]1C[C@H](CO)C1)c1ccc2[nH+]ccn2c1 ZINC000886894931 592391069 /nfs/dbraw/zinc/39/10/69/592391069.db2.gz NIHDRNZZEUNCRC-HOMQSWHASA-N 1 2 245.282 0.835 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCOC1=O)[C@H]1CCCOC1 ZINC000886908587 592395393 /nfs/dbraw/zinc/39/53/93/592395393.db2.gz VPSXAFCABAZKIU-AXFHLTTASA-N 1 2 243.303 0.333 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CC[C@@H](C)O ZINC000886941654 592399286 /nfs/dbraw/zinc/39/92/86/592399286.db2.gz IKHAVPMQEFCOPB-MXWKQRLJSA-N 1 2 245.319 0.458 20 0 BCADLO CCOCC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886947240 592401441 /nfs/dbraw/zinc/40/14/41/592401441.db2.gz ZBPZDJBGRUHDRS-WDEREUQCSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCO ZINC000886959190 592402479 /nfs/dbraw/zinc/40/24/79/592402479.db2.gz LRYZFDWICQZPCA-MNOVXSKESA-N 1 2 245.319 0.459 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(N)=O)[C@@H](C)CC)[nH]1 ZINC000887057654 592434060 /nfs/dbraw/zinc/43/40/60/592434060.db2.gz PWRFXNBNEGNVSQ-XVKPBYJWSA-N 1 2 239.323 0.357 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887077170 592436071 /nfs/dbraw/zinc/43/60/71/592436071.db2.gz GCZIWHKEHUPLFZ-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887077170 592436073 /nfs/dbraw/zinc/43/60/73/592436073.db2.gz GCZIWHKEHUPLFZ-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO NC(=O)NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887099227 592441210 /nfs/dbraw/zinc/44/12/10/592441210.db2.gz WAIJFIFJQGLLSN-UHFFFAOYSA-N 1 2 249.261 0.691 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887099227 592441215 /nfs/dbraw/zinc/44/12/15/592441215.db2.gz WAIJFIFJQGLLSN-UHFFFAOYSA-N 1 2 249.261 0.691 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)Nn1nnc2c1CCCC2 ZINC000887216360 592466134 /nfs/dbraw/zinc/46/61/34/592466134.db2.gz SOLZXUPSFIZCKZ-UHFFFAOYSA-N 1 2 246.274 0.193 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nn1nnc2c1CCCC2 ZINC000887216360 592466135 /nfs/dbraw/zinc/46/61/35/592466135.db2.gz SOLZXUPSFIZCKZ-UHFFFAOYSA-N 1 2 246.274 0.193 20 0 BCADLO O=c1c2c([nH]n1[C@H]1CCCSC1)CC[NH2+]C2 ZINC000887299376 592478954 /nfs/dbraw/zinc/47/89/54/592478954.db2.gz YAYPWVWOEQSIAB-IUCAKERBSA-N 1 2 239.344 0.690 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000300390782 592509957 /nfs/dbraw/zinc/50/99/57/592509957.db2.gz XACAOQVWLJXUGH-BDAKNGLRSA-N 1 2 223.276 0.841 20 0 BCADLO Cc1nc(NCCc2ccncc2)nc(N)[nH+]1 ZINC000302629230 592550568 /nfs/dbraw/zinc/55/05/68/592550568.db2.gz PYXBZWDIJZGBRE-UHFFFAOYSA-N 1 2 230.275 0.812 20 0 BCADLO Cc1nc(N)nc(NCCc2ccncc2)[nH+]1 ZINC000302629230 592550570 /nfs/dbraw/zinc/55/05/70/592550570.db2.gz PYXBZWDIJZGBRE-UHFFFAOYSA-N 1 2 230.275 0.812 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000889219286 592589731 /nfs/dbraw/zinc/58/97/31/592589731.db2.gz IAWLMDFLOQQVOP-AOOOYVTPSA-N 1 2 234.303 0.624 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2nnc(C)[nH]2)[nH+]1 ZINC000889700451 592647744 /nfs/dbraw/zinc/64/77/44/592647744.db2.gz ZCAYHWNGMAISMX-UHFFFAOYSA-N 1 2 248.290 0.258 20 0 BCADLO Cc1nc(CNC(=O)[C@@H]2CCCC[N@H+]2C)n[nH]1 ZINC000889705892 592649591 /nfs/dbraw/zinc/64/95/91/592649591.db2.gz NEKUTHOPYCKFNS-VIFPVBQESA-N 1 2 237.307 0.214 20 0 BCADLO Cc1nc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000889705892 592649592 /nfs/dbraw/zinc/64/95/92/592649592.db2.gz NEKUTHOPYCKFNS-VIFPVBQESA-N 1 2 237.307 0.214 20 0 BCADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)[C@@H]1CCCO1 ZINC000890100357 592678838 /nfs/dbraw/zinc/67/88/38/592678838.db2.gz SYCPMTONKREVRT-ONGXEEELSA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CCCCO2)c1 ZINC000890103819 592679904 /nfs/dbraw/zinc/67/99/04/592679904.db2.gz DKCVJUZVRWWKEF-LBPRGKRZSA-N 1 2 237.303 0.996 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103838 592679962 /nfs/dbraw/zinc/67/99/62/592679962.db2.gz DRRUAOFRPBEODM-NSHDSACASA-N 1 2 239.319 0.978 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2cn(C)c[nH+]2)[C@H](C)O1 ZINC000890102879 592680065 /nfs/dbraw/zinc/68/00/65/592680065.db2.gz BZYKQCAMOWQRGZ-WCABBAIRSA-N 1 2 237.303 0.850 20 0 BCADLO CCO[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890103468 592680110 /nfs/dbraw/zinc/68/01/10/592680110.db2.gz LTECFTBCSKFNOH-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO Cc1ccncc1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890104018 592680606 /nfs/dbraw/zinc/68/06/06/592680606.db2.gz TVHHCLTVJYYQSV-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cc(C=O)cn2C)c1 ZINC000890104913 592681201 /nfs/dbraw/zinc/68/12/01/592681201.db2.gz TXHBAXGGWPNEGW-UHFFFAOYSA-N 1 2 246.270 0.501 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCC(C)(C)O2)c1 ZINC000890107038 592681686 /nfs/dbraw/zinc/68/16/86/592681686.db2.gz GYKQYWAHYXDNQE-SNVBAGLBSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1 ZINC000890104877 592681841 /nfs/dbraw/zinc/68/18/41/592681841.db2.gz SBIVIHPUWURZII-JMJZKYOTSA-N 1 2 247.298 0.652 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCOCC(F)F)c1 ZINC000890107644 592682813 /nfs/dbraw/zinc/68/28/13/592682813.db2.gz OJBHYJCKSSAWIK-UHFFFAOYSA-N 1 2 247.245 0.708 20 0 BCADLO Cc1cnc(C(=O)NCc2cn(C)c[nH+]2)c(O)c1 ZINC000890109798 592683909 /nfs/dbraw/zinc/68/39/09/592683909.db2.gz SXSMPNVBQLBUSD-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)n(C)n1 ZINC000890113881 592684174 /nfs/dbraw/zinc/68/41/74/592684174.db2.gz BEAQHVVSLWPNOG-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO COc1ncccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890116711 592685634 /nfs/dbraw/zinc/68/56/34/592685634.db2.gz BNGUZHFDHPFMMY-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO CS[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890117201 592685984 /nfs/dbraw/zinc/68/59/84/592685984.db2.gz MXDSTYKAYYUXMS-SSDOTTSWSA-N 1 2 213.306 0.788 20 0 BCADLO CC(C)[NH2+][C@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000308541693 596996168 /nfs/dbraw/zinc/99/61/68/596996168.db2.gz UVJZLZBFGQMFLJ-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO CC(C)[NH2+][C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000308541693 596996170 /nfs/dbraw/zinc/99/61/70/596996170.db2.gz UVJZLZBFGQMFLJ-VIFPVBQESA-N 1 2 200.282 0.533 20 0 BCADLO CC(C)[NH2+][C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000308541691 596996685 /nfs/dbraw/zinc/99/66/85/596996685.db2.gz UVJZLZBFGQMFLJ-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO CC(C)[NH2+][C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000308541691 596996689 /nfs/dbraw/zinc/99/66/89/596996689.db2.gz UVJZLZBFGQMFLJ-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)[O-])CC1 ZINC000049331162 598075719 /nfs/dbraw/zinc/07/57/19/598075719.db2.gz OUMNAWHBDQAZED-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000049474829 598214665 /nfs/dbraw/zinc/21/46/65/598214665.db2.gz CZQWUJMLWTVFBZ-VIFPVBQESA-N 1 2 211.265 0.726 20 0 BCADLO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)[O-])C1)[NH+](C)C ZINC000738938087 603273626 /nfs/dbraw/zinc/27/36/26/603273626.db2.gz GQZSZBIULYIHOD-GHMZBOCLSA-N 1 2 243.351 0.916 20 0 BCADLO CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000395826612 605141603 /nfs/dbraw/zinc/14/16/03/605141603.db2.gz XOMCFCIBXMRVNI-VIFPVBQESA-N 1 2 225.292 0.972 20 0 BCADLO CCN1CC[C@H]([N@H+]2Cc3c[nH]nc3[C@@H](C)C2)C1=O ZINC000931468122 634469385 /nfs/dbraw/zinc/46/93/85/634469385.db2.gz VKVLMTRYQVSROT-ONGXEEELSA-N 1 2 248.330 0.950 20 0 BCADLO CCN1CC[C@H]([N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)C1=O ZINC000931468122 634469391 /nfs/dbraw/zinc/46/93/91/634469391.db2.gz VKVLMTRYQVSROT-ONGXEEELSA-N 1 2 248.330 0.950 20 0 BCADLO CCC(=O)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000909354978 634478920 /nfs/dbraw/zinc/47/89/20/634478920.db2.gz FUPLPVFCKFCCQO-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)no1 ZINC000335556930 634491274 /nfs/dbraw/zinc/49/12/74/634491274.db2.gz FXRYFIJZVUKLOY-SECBINFHSA-N 1 2 246.270 0.803 20 0 BCADLO C[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000259084217 635242594 /nfs/dbraw/zinc/24/25/94/635242594.db2.gz YICLSAXZBAFPDS-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000107823244 635485257 /nfs/dbraw/zinc/48/52/57/635485257.db2.gz DXRJWYLJUFLQRR-JTQLQIEISA-N 1 2 243.303 0.825 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000107823244 635485260 /nfs/dbraw/zinc/48/52/60/635485260.db2.gz DXRJWYLJUFLQRR-JTQLQIEISA-N 1 2 243.303 0.825 20 0 BCADLO CN(CCOCCO)c1nccn2c[nH+]cc12 ZINC000893702557 635511143 /nfs/dbraw/zinc/51/11/43/635511143.db2.gz FRWIHIQDTYRZNJ-UHFFFAOYSA-N 1 2 236.275 0.174 20 0 BCADLO Cn1ccnc1[C@@H]([NH2+][C@H]1CNOC1)C1CC1 ZINC000925871458 635588013 /nfs/dbraw/zinc/58/80/13/635588013.db2.gz WRMQPJYXSCBXAB-UWVGGRQHSA-N 1 2 222.292 0.364 20 0 BCADLO O=C1OCC[C@@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000075609527 631270055 /nfs/dbraw/zinc/27/00/55/631270055.db2.gz WPOCVAHBBGUTHR-VIFPVBQESA-N 1 2 227.260 0.141 20 0 BCADLO COC[C@H]1COCCN1Cc1c[nH+]cn1C ZINC000933337407 631281608 /nfs/dbraw/zinc/28/16/08/631281608.db2.gz VELYGJOQZYFYGR-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC000933337406 631282432 /nfs/dbraw/zinc/28/24/32/631282432.db2.gz VELYGJOQZYFYGR-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO CN(C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1)C1CC1 ZINC000933396307 631359891 /nfs/dbraw/zinc/35/98/91/631359891.db2.gz UYMYEOZMJHZIRR-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CN(C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1)C1CC1 ZINC000933396307 631359895 /nfs/dbraw/zinc/35/98/95/631359895.db2.gz UYMYEOZMJHZIRR-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO Cc1cc(N2CCNC(=O)C2)nc(C2CCC2)[nH+]1 ZINC000891471789 631373536 /nfs/dbraw/zinc/37/35/36/631373536.db2.gz NQWPXXPYWGZYDJ-UHFFFAOYSA-N 1 2 246.314 0.989 20 0 BCADLO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCOC1=O ZINC000308500892 631401342 /nfs/dbraw/zinc/40/13/42/631401342.db2.gz GMAREXVJQLSCIC-RKDXNWHRSA-N 1 2 201.266 0.299 20 0 BCADLO C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)C1 ZINC000082277860 631403859 /nfs/dbraw/zinc/40/38/59/631403859.db2.gz YMLLLLOZLVTXME-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)C1 ZINC000082277860 631403861 /nfs/dbraw/zinc/40/38/61/631403861.db2.gz YMLLLLOZLVTXME-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000178213002 631422289 /nfs/dbraw/zinc/42/22/89/631422289.db2.gz KRQJMDQKYPEJFS-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000178213002 631422286 /nfs/dbraw/zinc/42/22/86/631422286.db2.gz KRQJMDQKYPEJFS-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000308626267 631444204 /nfs/dbraw/zinc/44/42/04/631444204.db2.gz WNTCOTNJWNECFY-WCBMZHEXSA-N 1 2 203.282 0.689 20 0 BCADLO CCN(C(=O)c1ccccc1)C1C[NH+](CCO)C1 ZINC000949584860 631542331 /nfs/dbraw/zinc/54/23/31/631542331.db2.gz AEBAOJKLZBGXSN-UHFFFAOYSA-N 1 2 248.326 0.825 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1ccon1 ZINC000093297732 631566647 /nfs/dbraw/zinc/56/66/47/631566647.db2.gz LMSMJBCHZINYCY-UHFFFAOYSA-N 1 2 230.231 0.963 20 0 BCADLO CN(C)c1cc(N2CC[C@@](F)(CO)C2)nc[nH+]1 ZINC000893725702 635626912 /nfs/dbraw/zinc/62/69/12/635626912.db2.gz AAHCETSQHUCOHA-NSHDSACASA-N 1 2 240.282 0.453 20 0 BCADLO CN(C)c1cc(N2CC[C@@](F)(CO)C2)[nH+]cn1 ZINC000893725702 635626916 /nfs/dbraw/zinc/62/69/16/635626916.db2.gz AAHCETSQHUCOHA-NSHDSACASA-N 1 2 240.282 0.453 20 0 BCADLO CN(C)c1cc(N2CC[C@](F)(CO)C2)nc[nH+]1 ZINC000893725701 635627198 /nfs/dbraw/zinc/62/71/98/635627198.db2.gz AAHCETSQHUCOHA-LLVKDONJSA-N 1 2 240.282 0.453 20 0 BCADLO CN(C)c1cc(N2CC[C@](F)(CO)C2)[nH+]cn1 ZINC000893725701 635627203 /nfs/dbraw/zinc/62/72/03/635627203.db2.gz AAHCETSQHUCOHA-LLVKDONJSA-N 1 2 240.282 0.453 20 0 BCADLO COCc1nc(NCc2c[nH+]cn2C)cc(=O)[nH]1 ZINC000893899172 635634148 /nfs/dbraw/zinc/63/41/48/635634148.db2.gz VGXBWGYBTJFGTM-UHFFFAOYSA-N 1 2 249.274 0.674 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@@H]2CO)CCN1c1ccccc1 ZINC000934024769 631599174 /nfs/dbraw/zinc/59/91/74/631599174.db2.gz WQPGMWJUOPLJMR-CHWSQXEVSA-N 1 2 246.310 0.859 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@@H]2CO)CCN1c1ccccc1 ZINC000934024769 631599191 /nfs/dbraw/zinc/59/91/91/631599191.db2.gz WQPGMWJUOPLJMR-CHWSQXEVSA-N 1 2 246.310 0.859 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)N1CCc2ccccc21 ZINC000934027165 631606328 /nfs/dbraw/zinc/60/63/28/631606328.db2.gz SCYVUEGOBDNSBI-GFCCVEGCSA-N 1 2 246.310 0.642 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)N1CCc2ccccc21 ZINC000934027165 631606335 /nfs/dbraw/zinc/60/63/35/631606335.db2.gz SCYVUEGOBDNSBI-GFCCVEGCSA-N 1 2 246.310 0.642 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@H]1CO ZINC000934019567 631618283 /nfs/dbraw/zinc/61/82/83/631618283.db2.gz QGNUMBTVZLPWLG-SFYZADRCSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@H]1CO ZINC000934019567 631618288 /nfs/dbraw/zinc/61/82/88/631618288.db2.gz QGNUMBTVZLPWLG-SFYZADRCSA-N 1 2 208.265 0.186 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000934027347 631619988 /nfs/dbraw/zinc/61/99/88/631619988.db2.gz JYCRPDAESLWBQC-JTQLQIEISA-N 1 2 218.260 0.296 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cc1cn2cccnc2n1 ZINC000934027347 631619990 /nfs/dbraw/zinc/61/99/90/631619990.db2.gz JYCRPDAESLWBQC-JTQLQIEISA-N 1 2 218.260 0.296 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]1CO ZINC000934023191 631620003 /nfs/dbraw/zinc/62/00/03/631620003.db2.gz CXEBRMFCJDMTFA-BDAKNGLRSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]1CO ZINC000934023191 631620005 /nfs/dbraw/zinc/62/00/05/631620005.db2.gz CXEBRMFCJDMTFA-BDAKNGLRSA-N 1 2 201.266 0.395 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NCC1CCCCC1 ZINC000934028844 631629054 /nfs/dbraw/zinc/62/90/54/631629054.db2.gz CPTFSGGAQOBQMG-GFCCVEGCSA-N 1 2 240.347 0.750 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NCC1CCCCC1 ZINC000934028844 631629056 /nfs/dbraw/zinc/62/90/56/631629056.db2.gz CPTFSGGAQOBQMG-GFCCVEGCSA-N 1 2 240.347 0.750 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CC[C@H]2OC)nn1 ZINC000934111527 631686470 /nfs/dbraw/zinc/68/64/70/631686470.db2.gz SKPNEEFUCHUDAB-WDEREUQCSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)nn1 ZINC000934111527 631686474 /nfs/dbraw/zinc/68/64/74/631686474.db2.gz SKPNEEFUCHUDAB-WDEREUQCSA-N 1 2 224.308 0.907 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934132667 631707516 /nfs/dbraw/zinc/70/75/16/631707516.db2.gz VFYQMRRJJXOGNK-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934132667 631707517 /nfs/dbraw/zinc/70/75/17/631707517.db2.gz VFYQMRRJJXOGNK-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C[C@@H]1F ZINC000934559883 631920641 /nfs/dbraw/zinc/92/06/41/631920641.db2.gz FPAVOBSPIAPCMT-OUAUKWLOSA-N 1 2 233.283 0.197 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C[C@@H]1F ZINC000934559883 631920644 /nfs/dbraw/zinc/92/06/44/631920644.db2.gz FPAVOBSPIAPCMT-OUAUKWLOSA-N 1 2 233.283 0.197 20 0 BCADLO Cc1nc(NCc2cnn(C)n2)cc[nH+]1 ZINC000309169527 631924290 /nfs/dbraw/zinc/92/42/90/631924290.db2.gz KRXPANRRASHERT-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934568418 631936431 /nfs/dbraw/zinc/93/64/31/631936431.db2.gz WALAOZYJEAHIQD-VHSXEESVSA-N 1 2 243.282 0.715 20 0 BCADLO Cc1noc(CCC[N@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934568418 631936433 /nfs/dbraw/zinc/93/64/33/631936433.db2.gz WALAOZYJEAHIQD-VHSXEESVSA-N 1 2 243.282 0.715 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@@H](O)[C@@H](F)C2)CCO1 ZINC000934570266 631939898 /nfs/dbraw/zinc/93/98/98/631939898.db2.gz CUWYVEJLQYXMTM-GRYCIOLGSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H](O)[C@@H](F)C2)CCO1 ZINC000934570266 631939901 /nfs/dbraw/zinc/93/99/01/631939901.db2.gz CUWYVEJLQYXMTM-GRYCIOLGSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CCO1 ZINC000934570266 631939908 /nfs/dbraw/zinc/93/99/08/631939908.db2.gz CUWYVEJLQYXMTM-GRYCIOLGSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)CCO1 ZINC000934570266 631939913 /nfs/dbraw/zinc/93/99/13/631939913.db2.gz CUWYVEJLQYXMTM-GRYCIOLGSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@@H](O)[C@H](F)C2)CCO1 ZINC000934570268 631940710 /nfs/dbraw/zinc/94/07/10/631940710.db2.gz CUWYVEJLQYXMTM-IJLUTSLNSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H](O)[C@H](F)C2)CCO1 ZINC000934570268 631940714 /nfs/dbraw/zinc/94/07/14/631940714.db2.gz CUWYVEJLQYXMTM-IJLUTSLNSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)CCO1 ZINC000934570268 631940718 /nfs/dbraw/zinc/94/07/18/631940718.db2.gz CUWYVEJLQYXMTM-IJLUTSLNSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CC[C@@H](O)[C@H](F)C2)CCO1 ZINC000934570268 631940724 /nfs/dbraw/zinc/94/07/24/631940724.db2.gz CUWYVEJLQYXMTM-IJLUTSLNSA-N 1 2 246.326 0.112 20 0 BCADLO O=c1ccccn1CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934570609 631945196 /nfs/dbraw/zinc/94/51/96/631945196.db2.gz MASARLVOWZZSTO-GHMZBOCLSA-N 1 2 240.278 0.253 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934570609 631945197 /nfs/dbraw/zinc/94/51/97/631945197.db2.gz MASARLVOWZZSTO-GHMZBOCLSA-N 1 2 240.278 0.253 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1cc(F)ccc1F ZINC000051827647 631953367 /nfs/dbraw/zinc/95/33/67/631953367.db2.gz PZSCFDAGFIBLIH-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1cc(F)ccc1F ZINC000051827647 631953371 /nfs/dbraw/zinc/95/33/71/631953371.db2.gz PZSCFDAGFIBLIH-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO Nc1ccc(CN2C(=O)CCC2=O)c[nH+]1 ZINC000050818588 632061359 /nfs/dbraw/zinc/06/13/59/632061359.db2.gz QYDJRCUTGCUUEU-UHFFFAOYSA-N 1 2 205.217 0.313 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000924466462 632114577 /nfs/dbraw/zinc/11/45/77/632114577.db2.gz UHHHDGXOFKKSPF-PWSUYJOCSA-N 1 2 249.314 0.980 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2C(=O)NCC2(C)C)co1 ZINC000926537426 632458464 /nfs/dbraw/zinc/45/84/64/632458464.db2.gz JFKRLJLNZLWZQM-SNVBAGLBSA-N 1 2 237.303 0.851 20 0 BCADLO CCn1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1 ZINC000926579375 632581792 /nfs/dbraw/zinc/58/17/92/632581792.db2.gz WAHVLJPIUOXQEW-SNVBAGLBSA-N 1 2 236.319 0.517 20 0 BCADLO CC1(C[NH2+]Cc2cocn2)OCCCO1 ZINC000309112266 632640082 /nfs/dbraw/zinc/64/00/82/632640082.db2.gz KBJJGCVOZJQSTG-UHFFFAOYSA-N 1 2 212.249 0.917 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000309683037 632650404 /nfs/dbraw/zinc/65/04/04/632650404.db2.gz NRIDFFDVVQNWEZ-LLVKDONJSA-N 1 2 229.320 0.936 20 0 BCADLO Cc1nonc1C(=O)NCc1c[nH+]cn1C ZINC000291344537 632652241 /nfs/dbraw/zinc/65/22/41/632652241.db2.gz WWEGHAAQOMZHPJ-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCN1C ZINC000309744427 632662440 /nfs/dbraw/zinc/66/24/40/632662440.db2.gz IRDXLSPGAXGBFF-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCN1C ZINC000309744427 632662444 /nfs/dbraw/zinc/66/24/44/632662444.db2.gz IRDXLSPGAXGBFF-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nnc(C)s1)C(N)=O ZINC000310041319 632697341 /nfs/dbraw/zinc/69/73/41/632697341.db2.gz YMJOGLYKXJGZNQ-RCOVLWMOSA-N 1 2 242.348 0.836 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000153521496 632820243 /nfs/dbraw/zinc/82/02/43/632820243.db2.gz AQHWSUZCHKNNQV-UHFFFAOYSA-N 1 2 239.275 0.906 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cn[nH]n1 ZINC000935596010 632850157 /nfs/dbraw/zinc/85/01/57/632850157.db2.gz AOULOCRWQXYBBV-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cn[nH]n1 ZINC000935596010 632850159 /nfs/dbraw/zinc/85/01/59/632850159.db2.gz AOULOCRWQXYBBV-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]nn1 ZINC000935596010 632850160 /nfs/dbraw/zinc/85/01/60/632850160.db2.gz AOULOCRWQXYBBV-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]nn1 ZINC000935596010 632850164 /nfs/dbraw/zinc/85/01/64/632850164.db2.gz AOULOCRWQXYBBV-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO Cn1cnc(C[NH2+]C[C@H](O)c2ccccc2)n1 ZINC000236132721 632885553 /nfs/dbraw/zinc/88/55/53/632885553.db2.gz OWWBPAXCKHOVAN-NSHDSACASA-N 1 2 232.287 0.638 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000309299767 632906376 /nfs/dbraw/zinc/90/63/76/632906376.db2.gz XYIBPECERXXLRT-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCN1CCOC1=O ZINC000066495695 632923411 /nfs/dbraw/zinc/92/34/11/632923411.db2.gz FXTISTASQLESHE-UHFFFAOYSA-N 1 2 244.291 0.370 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000924574101 632940233 /nfs/dbraw/zinc/94/02/33/632940233.db2.gz GBJRZDFZBDYWEC-IUCAKERBSA-N 1 2 237.307 0.398 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1C1CC1 ZINC000782604311 632987920 /nfs/dbraw/zinc/98/79/20/632987920.db2.gz AVVHKZNYIRQKQV-MFKMUULPSA-N 1 2 248.330 0.736 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1C1CC1 ZINC000782604311 632987930 /nfs/dbraw/zinc/98/79/30/632987930.db2.gz AVVHKZNYIRQKQV-MFKMUULPSA-N 1 2 248.330 0.736 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000181950463 633168333 /nfs/dbraw/zinc/16/83/33/633168333.db2.gz FTFLJWFRBNANFH-LDYMZIIASA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000181950463 633168341 /nfs/dbraw/zinc/16/83/41/633168341.db2.gz FTFLJWFRBNANFH-LDYMZIIASA-N 1 2 241.291 0.734 20 0 BCADLO CCN(C(=O)[C@H]1CC1(C)C)C1C[NH+](CCO)C1 ZINC000949905578 633228708 /nfs/dbraw/zinc/22/87/08/633228708.db2.gz KOUHJHPUJWRVAC-LLVKDONJSA-N 1 2 240.347 0.558 20 0 BCADLO CONC(=O)NCCCNc1cccc[nH+]1 ZINC000048851423 635934740 /nfs/dbraw/zinc/93/47/40/635934740.db2.gz WHKNIWHHOAWRHF-UHFFFAOYSA-N 1 2 224.264 0.744 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cnnn3C)C2)[nH]1 ZINC000895006942 636014577 /nfs/dbraw/zinc/01/45/77/636014577.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cnnn3C)C2)[nH]1 ZINC000895006942 636014579 /nfs/dbraw/zinc/01/45/79/636014579.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC000895006942 636014581 /nfs/dbraw/zinc/01/45/81/636014581.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cnnn3C)C2)n1 ZINC000895006942 636014584 /nfs/dbraw/zinc/01/45/84/636014584.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2COC[C@@H]21 ZINC000909435261 636039496 /nfs/dbraw/zinc/03/94/96/636039496.db2.gz NZYQANCWNXYIDG-WDEREUQCSA-N 1 2 249.314 0.836 20 0 BCADLO Cc1cnc(C(=O)NC[C@H]2CC[N@H+]2C)c(O)c1 ZINC000928556545 636094603 /nfs/dbraw/zinc/09/46/03/636094603.db2.gz ATGKMALPPNYKLN-SECBINFHSA-N 1 2 235.287 0.530 20 0 BCADLO Cc1cnc(C(=O)NC[C@H]2CC[N@@H+]2C)c(O)c1 ZINC000928556545 636094607 /nfs/dbraw/zinc/09/46/07/636094607.db2.gz ATGKMALPPNYKLN-SECBINFHSA-N 1 2 235.287 0.530 20 0 BCADLO COC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308724407 633808683 /nfs/dbraw/zinc/80/86/83/633808683.db2.gz SOKYWKJRMIMZRB-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO CNc1cc(N2C[C@H](CO)OC[C@@H]2C)nc[nH+]1 ZINC000122754676 633854100 /nfs/dbraw/zinc/85/41/00/633854100.db2.gz QIGNCVIZFIXSHE-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](CO)OC[C@@H]2C)[nH+]cn1 ZINC000122754676 633854104 /nfs/dbraw/zinc/85/41/04/633854104.db2.gz QIGNCVIZFIXSHE-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CNC(=O)CC[N@H+](C)CC(=O)OCC(C)C ZINC000181447316 633916269 /nfs/dbraw/zinc/91/62/69/633916269.db2.gz JFPZWBJAUUICLW-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CNC(=O)CC[N@@H+](C)CC(=O)OCC(C)C ZINC000181447316 633916275 /nfs/dbraw/zinc/91/62/75/633916275.db2.gz JFPZWBJAUUICLW-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CC[C@@](C)([NH2+]CCC1OCCO1)C(=O)OC ZINC000309938932 633966271 /nfs/dbraw/zinc/96/62/71/633966271.db2.gz ATMMIHVWXODCFB-LLVKDONJSA-N 1 2 231.292 0.681 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCCNC(C)=O ZINC000309637400 633978380 /nfs/dbraw/zinc/97/83/80/633978380.db2.gz JVRKXFIIYNRHPC-UHFFFAOYSA-N 1 2 230.308 0.444 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000186938245 634089703 /nfs/dbraw/zinc/08/97/03/634089703.db2.gz XXVDVKUZSDQNAC-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000186938245 634089706 /nfs/dbraw/zinc/08/97/06/634089706.db2.gz XXVDVKUZSDQNAC-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000924126699 634105615 /nfs/dbraw/zinc/10/56/15/634105615.db2.gz APTXUGWLNQPWJQ-NXEZZACHSA-N 1 2 224.260 0.541 20 0 BCADLO Cn1cc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000310592487 634168160 /nfs/dbraw/zinc/16/81/60/634168160.db2.gz IXPZGJNHSSSWMZ-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO CC[C@H](C)[NH+]1CCN(CCS(C)(=O)=O)CC1 ZINC000192776038 634250069 /nfs/dbraw/zinc/25/00/69/634250069.db2.gz PJCZTFLZZRLFQB-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)OC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000312704711 634268206 /nfs/dbraw/zinc/26/82/06/634268206.db2.gz WCHRGSCLJNHVDC-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC001027710702 635121349 /nfs/dbraw/zinc/12/13/49/635121349.db2.gz ZJOKTMAAHAETBD-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC001027710702 635121353 /nfs/dbraw/zinc/12/13/53/635121353.db2.gz ZJOKTMAAHAETBD-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1c[nH+]cc1CCCn1ccncc1=O ZINC000314217892 635150320 /nfs/dbraw/zinc/15/03/20/635150320.db2.gz SQOHSBIDFUUMLR-UHFFFAOYSA-N 1 2 218.260 0.610 20 0 BCADLO CN(C)c1cc(NC[C@@H]2CCCNC2=O)[nH+]cn1 ZINC000894171778 635737678 /nfs/dbraw/zinc/73/76/78/635737678.db2.gz MZZRIJBCBZBTKT-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO CN(C)c1cc(NC[C@@H]2CCCNC2=O)nc[nH+]1 ZINC000894171778 635737686 /nfs/dbraw/zinc/73/76/86/635737686.db2.gz MZZRIJBCBZBTKT-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO C[C@@H](O)[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894225277 635757570 /nfs/dbraw/zinc/75/75/70/635757570.db2.gz XANCSUNRLOTYGP-MWLCHTKSSA-N 1 2 248.286 0.315 20 0 BCADLO CCCNC(=S)NCCn1cc[nH+]c1 ZINC000048041060 635800610 /nfs/dbraw/zinc/80/06/10/635800610.db2.gz ANKRVMVVSDDFOS-UHFFFAOYSA-N 1 2 212.322 0.757 20 0 BCADLO CNc1cc(N(C)[C@@H](C)CCO)nc[nH+]1 ZINC000894406387 635891570 /nfs/dbraw/zinc/89/15/70/635891570.db2.gz LCUHJZXIBNOLQP-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO CNc1cc(N(C)[C@@H](C)CCO)[nH+]cn1 ZINC000894406387 635891573 /nfs/dbraw/zinc/89/15/73/635891573.db2.gz LCUHJZXIBNOLQP-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469099 636147016 /nfs/dbraw/zinc/14/70/16/636147016.db2.gz CZUNGJIPJFIJDM-JTQLQIEISA-N 1 2 222.292 0.926 20 0 BCADLO CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469099 636147020 /nfs/dbraw/zinc/14/70/20/636147020.db2.gz CZUNGJIPJFIJDM-JTQLQIEISA-N 1 2 222.292 0.926 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000895464657 636147190 /nfs/dbraw/zinc/14/71/90/636147190.db2.gz JKKRHALJSPDCKV-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO COC(C)(C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000928599001 636171728 /nfs/dbraw/zinc/17/17/28/636171728.db2.gz XLKZPYJVBCDXGL-SECBINFHSA-N 1 2 225.292 0.813 20 0 BCADLO C[C@H]1COC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000895907362 636182340 /nfs/dbraw/zinc/18/23/40/636182340.db2.gz CKSHJUMLVSDGRK-IUCAKERBSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@H]1COC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000895907362 636182343 /nfs/dbraw/zinc/18/23/43/636182343.db2.gz CKSHJUMLVSDGRK-IUCAKERBSA-N 1 2 222.292 0.989 20 0 BCADLO COCC1C[NH+](Cc2cn3cccnc3n2)C1 ZINC000895970428 636185012 /nfs/dbraw/zinc/18/50/12/636185012.db2.gz YBZAVMRWQYSGLF-UHFFFAOYSA-N 1 2 232.287 0.808 20 0 BCADLO Cn1nccc1[C@@H](O)CNc1cccc[nH+]1 ZINC000896631527 636209062 /nfs/dbraw/zinc/20/90/62/636209062.db2.gz ZLOUYYNNBWPDKM-JTQLQIEISA-N 1 2 218.260 0.961 20 0 BCADLO Cc1cc(C[N@H+](C)CC(N)=O)cc(Cl)n1 ZINC000320553908 636267211 /nfs/dbraw/zinc/26/72/11/636267211.db2.gz DLMSNGMAGVUQPU-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(N)=O)cc(Cl)n1 ZINC000320553908 636267219 /nfs/dbraw/zinc/26/72/19/636267219.db2.gz DLMSNGMAGVUQPU-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1CC(CCO)C1 ZINC000897231716 636278503 /nfs/dbraw/zinc/27/85/03/636278503.db2.gz FHXMSWPLBFEPDM-UHFFFAOYSA-N 1 2 247.302 0.936 20 0 BCADLO C[C@H]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000909577690 636282658 /nfs/dbraw/zinc/28/26/58/636282658.db2.gz ATZDFQABAMYDCR-WPRPVWTQSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(CO)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000305735779 636329630 /nfs/dbraw/zinc/32/96/30/636329630.db2.gz XLMPTWJHSLUCRN-UHFFFAOYSA-N 1 2 231.255 0.481 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC000985831434 636423557 /nfs/dbraw/zinc/42/35/57/636423557.db2.gz HIOLPLSZFYSCBA-OIBJUYFYSA-N 1 2 238.291 0.477 20 0 BCADLO CC(C)NC(=O)Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000350761977 636439400 /nfs/dbraw/zinc/43/94/00/636439400.db2.gz SQDGNEPLULMUSL-QMMMGPOBSA-N 1 2 240.307 0.759 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000928911912 636503041 /nfs/dbraw/zinc/50/30/41/636503041.db2.gz QBZZBHFJYCFPPO-SCZZXKLOSA-N 1 2 223.276 0.114 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000928917033 636512465 /nfs/dbraw/zinc/51/24/65/636512465.db2.gz MTXKGSKWBHSATI-VHSXEESVSA-N 1 2 235.287 0.645 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CCOCN2)c[nH+]1 ZINC000928945570 636596460 /nfs/dbraw/zinc/59/64/60/636596460.db2.gz YLUPMKKHXSZYNT-UHFFFAOYSA-N 1 2 238.291 0.248 20 0 BCADLO CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C[C@@H]1C ZINC000987633365 636656104 /nfs/dbraw/zinc/65/61/04/636656104.db2.gz QFIVYIHUXTVQCE-CBAPKCEASA-N 1 2 240.332 0.637 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000924631251 636947854 /nfs/dbraw/zinc/94/78/54/636947854.db2.gz FQKODWGNXARWHW-IONNQARKSA-N 1 2 238.291 0.697 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ncc[nH]1 ZINC000898502901 637045992 /nfs/dbraw/zinc/04/59/92/637045992.db2.gz IQMSNJSIOVYLEH-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ncc[nH]1 ZINC000898502901 637045995 /nfs/dbraw/zinc/04/59/95/637045995.db2.gz IQMSNJSIOVYLEH-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO Cn1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC000898887544 637062213 /nfs/dbraw/zinc/06/22/13/637062213.db2.gz LQMFTQQGYCHTJA-SNVBAGLBSA-N 1 2 248.286 0.222 20 0 BCADLO C/C(=C\C(=O)NCC(F)F)C[NH+]1CCOCC1 ZINC000900906556 637202079 /nfs/dbraw/zinc/20/20/79/637202079.db2.gz NJCLTGQBMYWHAB-RMKNXTFCSA-N 1 2 248.273 0.646 20 0 BCADLO C[C@H](O)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900929312 637212300 /nfs/dbraw/zinc/21/23/00/637212300.db2.gz BXSMVXYUEPHWHH-VIFPVBQESA-N 1 2 223.276 0.333 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC[C@H](O)C1 ZINC000900931241 637215301 /nfs/dbraw/zinc/21/53/01/637215301.db2.gz MUEYWNYQZCUOMH-VIFPVBQESA-N 1 2 221.260 0.087 20 0 BCADLO C[C@@]1(NC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000901210749 637231751 /nfs/dbraw/zinc/23/17/51/637231751.db2.gz GNVKLQLFGYCKRS-GFCCVEGCSA-N 1 2 235.287 0.789 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903122159 637344482 /nfs/dbraw/zinc/34/44/82/637344482.db2.gz WKXQBBYBNBFNKU-NWDGAFQWSA-N 1 2 237.303 0.756 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(-c3cnccn3)no2)C1 ZINC000904648368 637449424 /nfs/dbraw/zinc/44/94/24/637449424.db2.gz DLMIZILKNQGIKY-VIFPVBQESA-N 1 2 247.258 0.530 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(-c3cnccn3)no2)C1 ZINC000904648368 637449430 /nfs/dbraw/zinc/44/94/30/637449430.db2.gz DLMIZILKNQGIKY-VIFPVBQESA-N 1 2 247.258 0.530 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC1 ZINC000905019964 637545996 /nfs/dbraw/zinc/54/59/96/637545996.db2.gz RNIXFJKRSKKSIL-ZMLRMANQSA-N 1 2 236.315 0.376 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000905151824 637661643 /nfs/dbraw/zinc/66/16/43/637661643.db2.gz OKPYLLCAROPJHX-UWVGGRQHSA-N 1 2 238.291 0.217 20 0 BCADLO C[C@H]1CC[N@H+](CN2CC(F)(F)CC2=O)CCO1 ZINC000905743447 637904427 /nfs/dbraw/zinc/90/44/27/637904427.db2.gz RERDODCEYNPDIG-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CC(F)(F)CC2=O)CCO1 ZINC000905743447 637904430 /nfs/dbraw/zinc/90/44/30/637904430.db2.gz RERDODCEYNPDIG-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO CON1CC[C@@H]([NH2+][C@@H](C)c2cscn2)C1=O ZINC000905777522 637909001 /nfs/dbraw/zinc/90/90/01/637909001.db2.gz FYKREPUZEGWHMD-JGVFFNPUSA-N 1 2 241.316 0.956 20 0 BCADLO O=S1(=O)CC2(C[NH+](CC3(O)CCCC3)C2)C1 ZINC000905972623 637988569 /nfs/dbraw/zinc/98/85/69/637988569.db2.gz RSXVBSRGEUPSJF-UHFFFAOYSA-N 1 2 245.344 0.022 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cn(C4CC4)nn3)C[C@H]12 ZINC000906319542 638143481 /nfs/dbraw/zinc/14/34/81/638143481.db2.gz CVTZIVAPHKBZMN-KWQFWETISA-N 1 2 248.286 0.218 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cn(C4CC4)nn3)C[C@H]12 ZINC000906319542 638143483 /nfs/dbraw/zinc/14/34/83/638143483.db2.gz CVTZIVAPHKBZMN-KWQFWETISA-N 1 2 248.286 0.218 20 0 BCADLO COC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000907260025 638334404 /nfs/dbraw/zinc/33/44/04/638334404.db2.gz FXIZGUYXHJNHQU-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907311767 638337755 /nfs/dbraw/zinc/33/77/55/638337755.db2.gz DZFLHFLXOAFVJH-UWVGGRQHSA-N 1 2 237.303 0.769 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907312941 638339028 /nfs/dbraw/zinc/33/90/28/638339028.db2.gz MWKHLFHPEHVZRV-SFYZADRCSA-N 1 2 211.265 0.228 20 0 BCADLO C/C(=C/C(=O)N1CC(F)C1)C[NH+]1CCOCC1 ZINC000907324997 638354050 /nfs/dbraw/zinc/35/40/50/638354050.db2.gz BHRWZONCRAWJPY-POHAHGRESA-N 1 2 242.294 0.445 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907327195 638356711 /nfs/dbraw/zinc/35/67/11/638356711.db2.gz PWOJBAGZBIGZHL-KWQFWETISA-N 1 2 223.276 0.636 20 0 BCADLO CC1(CO)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907387692 638368644 /nfs/dbraw/zinc/36/86/44/638368644.db2.gz NOVQDQKHNCMFLT-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907452231 638387685 /nfs/dbraw/zinc/38/76/85/638387685.db2.gz PGHBKZJJQWXHBG-VUDBWIFFSA-N 1 2 249.314 0.937 20 0 BCADLO CC(C)(O)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000907530103 638396249 /nfs/dbraw/zinc/39/62/49/638396249.db2.gz XDYMJGLYVQMKSS-UHFFFAOYSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(F)(F)C[C@@H]1CO ZINC000907590554 638412554 /nfs/dbraw/zinc/41/25/54/638412554.db2.gz VKQAPOLTVHSSPA-MRVPVSSYSA-N 1 2 245.229 0.181 20 0 BCADLO CC[C@]1(CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907624521 638422167 /nfs/dbraw/zinc/42/21/67/638422167.db2.gz SCUDWRHOPHJCCP-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(CCO)C1CCC1 ZINC000907620691 638422543 /nfs/dbraw/zinc/42/25/43/638422543.db2.gz OFANNFNUSUOWNO-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@H]1CO ZINC000907632239 638425655 /nfs/dbraw/zinc/42/56/55/638425655.db2.gz NKAAJJWWAQMDMH-MNOVXSKESA-N 1 2 249.314 0.723 20 0 BCADLO CO[C@@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000907637501 638429879 /nfs/dbraw/zinc/42/98/79/638429879.db2.gz ZVVBPHLMPZAHAZ-VIFPVBQESA-N 1 2 223.276 0.645 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1CC[C@@H](O)C1 ZINC000907674901 638442315 /nfs/dbraw/zinc/44/23/15/638442315.db2.gz HIJSGRGQZNCDPC-GHMZBOCLSA-N 1 2 249.314 0.771 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCC1CC(O)C1 ZINC000907754552 638462945 /nfs/dbraw/zinc/46/29/45/638462945.db2.gz VAECFFWMLFVZFY-UHFFFAOYSA-N 1 2 249.314 0.771 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCc1c[nH+]cn1C ZINC000908260426 638627050 /nfs/dbraw/zinc/62/70/50/638627050.db2.gz KNNLNXPINXYOTE-MVIFTORASA-N 1 2 237.303 0.754 20 0 BCADLO C[C@H](C(=O)NCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000908261992 638627263 /nfs/dbraw/zinc/62/72/63/638627263.db2.gz UHQKVHKVMRKFKB-ONGXEEELSA-N 1 2 237.303 0.851 20 0 BCADLO COCC[C@@H](COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908292350 638646259 /nfs/dbraw/zinc/64/62/59/638646259.db2.gz ZAHKHPLNUUUSIV-VIFPVBQESA-N 1 2 241.291 0.120 20 0 BCADLO CCN(CC(C)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC000908386916 638686532 /nfs/dbraw/zinc/68/65/32/638686532.db2.gz GZYFDGDVRFRHNN-UHFFFAOYSA-N 1 2 209.249 0.390 20 0 BCADLO CC(F)(F)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908424227 638704718 /nfs/dbraw/zinc/70/47/18/638704718.db2.gz UKQPLXCJFWSHIA-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO CCC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908522329 638996277 /nfs/dbraw/zinc/99/62/77/638996277.db2.gz MOPQSPAWIMLXPL-JTQLQIEISA-N 1 2 225.292 0.884 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NOCC[NH+](C)C ZINC000908527470 638997400 /nfs/dbraw/zinc/99/74/00/638997400.db2.gz FUHKWNCOFHYMLK-OPRDCNLKSA-N 1 2 230.308 0.267 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NOCC[NH+](C)C)[C@@H]1C ZINC000908527467 638997742 /nfs/dbraw/zinc/99/77/42/638997742.db2.gz FUHKWNCOFHYMLK-IVZWLZJFSA-N 1 2 230.308 0.267 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]1C1CC1 ZINC000908558343 639014107 /nfs/dbraw/zinc/01/41/07/639014107.db2.gz XIKZNJHNWMKQQB-SNVBAGLBSA-N 1 2 205.261 0.963 20 0 BCADLO CC[C@H]1[C@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908561454 639016117 /nfs/dbraw/zinc/01/61/17/639016117.db2.gz SYFOKPHDDVUGPT-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000908758374 639061766 /nfs/dbraw/zinc/06/17/66/639061766.db2.gz JLZMAOGYTLIKQK-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757909 639062322 /nfs/dbraw/zinc/06/23/22/639062322.db2.gz FOUZMWBMAYGCPU-NGZCFLSTSA-N 1 2 237.303 0.331 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908761415 639063579 /nfs/dbraw/zinc/06/35/79/639063579.db2.gz SHRZCPCEIUFATN-PRANIUCASA-N 1 2 249.314 0.641 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000908963363 639105827 /nfs/dbraw/zinc/10/58/27/639105827.db2.gz WRBDPBFGMITFCM-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909857600 639232704 /nfs/dbraw/zinc/23/27/04/639232704.db2.gz WWMBRTHXBVEFPH-KOLCDFICSA-N 1 2 239.319 0.486 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909857605 639233350 /nfs/dbraw/zinc/23/33/50/639233350.db2.gz WWMBRTHXBVEFPH-ONGXEEELSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]c(CCN2C(=O)[C@@H]3CCCN3C2=O)c1 ZINC000927528737 639407966 /nfs/dbraw/zinc/40/79/66/639407966.db2.gz VMCDHHGUWPBEHK-JTQLQIEISA-N 1 2 248.286 0.389 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC000034745188 711469369 /nfs/dbraw/zinc/46/93/69/711469369.db2.gz FIVIEZGCEHPSNN-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000034745188 711469370 /nfs/dbraw/zinc/46/93/70/711469370.db2.gz FIVIEZGCEHPSNN-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO COCC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000910407719 639450816 /nfs/dbraw/zinc/45/08/16/639450816.db2.gz DWHMYOGWGIKMHO-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](CO)C1 ZINC000910559101 639480443 /nfs/dbraw/zinc/48/04/43/639480443.db2.gz HYLCDEUUIOQPOO-VHSXEESVSA-N 1 2 237.303 0.620 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(CC2(C)COC2)n1 ZINC000923961850 639509815 /nfs/dbraw/zinc/50/98/15/639509815.db2.gz KSDNHNIQYAZQFJ-UHFFFAOYSA-N 1 2 248.286 0.973 20 0 BCADLO CCC1(CC(=O)NCCn2cc[nH+]c2)COC1 ZINC000930223336 639640697 /nfs/dbraw/zinc/64/06/97/639640697.db2.gz UZGGVUXEWIBWBT-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000930243259 639653977 /nfs/dbraw/zinc/65/39/77/639653977.db2.gz CGNKXSDQFXOZCU-AEJSXWLSSA-N 1 2 230.283 0.829 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000930243259 639653980 /nfs/dbraw/zinc/65/39/80/639653980.db2.gz CGNKXSDQFXOZCU-AEJSXWLSSA-N 1 2 230.283 0.829 20 0 BCADLO CCCONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911552739 639664806 /nfs/dbraw/zinc/66/48/06/639664806.db2.gz KYGYLXVLQLENMC-LUAWRHEFSA-N 1 2 242.319 0.723 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000911600559 639673111 /nfs/dbraw/zinc/67/31/11/639673111.db2.gz ZZTZKMLHMQJGOM-CBAPKCEASA-N 1 2 209.249 0.246 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC1CC1 ZINC000930304455 639691392 /nfs/dbraw/zinc/69/13/92/639691392.db2.gz ZSZYQDLMLJEIFH-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC1CC1 ZINC000930304455 639691397 /nfs/dbraw/zinc/69/13/97/639691397.db2.gz ZSZYQDLMLJEIFH-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COCC(COC)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000930342415 639715186 /nfs/dbraw/zinc/71/51/86/639715186.db2.gz JOYJPBUHXBICDL-VIFPVBQESA-N 1 2 239.262 0.614 20 0 BCADLO COCC(COC)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000930342415 639715189 /nfs/dbraw/zinc/71/51/89/639715189.db2.gz JOYJPBUHXBICDL-VIFPVBQESA-N 1 2 239.262 0.614 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCOCC23CC3)o1 ZINC000930360933 639726937 /nfs/dbraw/zinc/72/69/37/639726937.db2.gz SEVDTMNHURUQRH-UHFFFAOYSA-N 1 2 223.276 0.785 20 0 BCADLO Cc1nnc(CC[N@H+]2CCOCC23CC3)o1 ZINC000930360933 639726946 /nfs/dbraw/zinc/72/69/46/639726946.db2.gz SEVDTMNHURUQRH-UHFFFAOYSA-N 1 2 223.276 0.785 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000930363029 639732465 /nfs/dbraw/zinc/73/24/65/639732465.db2.gz DKRBPWIJGYICRO-LLVKDONJSA-N 1 2 245.273 0.759 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000930363029 639732468 /nfs/dbraw/zinc/73/24/68/639732468.db2.gz DKRBPWIJGYICRO-LLVKDONJSA-N 1 2 245.273 0.759 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000930363030 639732518 /nfs/dbraw/zinc/73/25/18/639732518.db2.gz DKRBPWIJGYICRO-NSHDSACASA-N 1 2 245.273 0.759 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000930363030 639732523 /nfs/dbraw/zinc/73/25/23/639732523.db2.gz DKRBPWIJGYICRO-NSHDSACASA-N 1 2 245.273 0.759 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000930462064 639765104 /nfs/dbraw/zinc/76/51/04/639765104.db2.gz FEHKTZLXFIHKFT-GZMMTYOYSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000930462064 639765111 /nfs/dbraw/zinc/76/51/11/639765111.db2.gz FEHKTZLXFIHKFT-GZMMTYOYSA-N 1 2 208.261 0.139 20 0 BCADLO C[N@H+](Cc1noc2c1COCC2)C1(CO)CC1 ZINC000930466312 639767605 /nfs/dbraw/zinc/76/76/05/639767605.db2.gz VQGVROAZVQIHNY-UHFFFAOYSA-N 1 2 238.287 0.704 20 0 BCADLO C[N@@H+](Cc1noc2c1COCC2)C1(CO)CC1 ZINC000930466312 639767610 /nfs/dbraw/zinc/76/76/10/639767610.db2.gz VQGVROAZVQIHNY-UHFFFAOYSA-N 1 2 238.287 0.704 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930468600 639768274 /nfs/dbraw/zinc/76/82/74/639768274.db2.gz FTFBOJOVUMLFLO-CIUDSAMLSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930468600 639768281 /nfs/dbraw/zinc/76/82/81/639768281.db2.gz FTFBOJOVUMLFLO-CIUDSAMLSA-N 1 2 239.262 0.084 20 0 BCADLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)CO)n1 ZINC000930474919 639770611 /nfs/dbraw/zinc/77/06/11/639770611.db2.gz BZFWJPDMIFONGR-VHSXEESVSA-N 1 2 241.291 0.258 20 0 BCADLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)CO)n1 ZINC000930474919 639770623 /nfs/dbraw/zinc/77/06/23/639770623.db2.gz BZFWJPDMIFONGR-VHSXEESVSA-N 1 2 241.291 0.258 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(C)nnc1C ZINC000930559742 639811344 /nfs/dbraw/zinc/81/13/44/639811344.db2.gz JXPJCBWZIWXIKS-UHFFFAOYSA-N 1 2 236.319 0.791 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)nnc1C ZINC000930559742 639811345 /nfs/dbraw/zinc/81/13/45/639811345.db2.gz JXPJCBWZIWXIKS-UHFFFAOYSA-N 1 2 236.319 0.791 20 0 BCADLO C[N@H+](C[C@@H]1COCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000930562097 639811520 /nfs/dbraw/zinc/81/15/20/639811520.db2.gz LASUQJHBFXJGCA-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO C[N@@H+](C[C@@H]1COCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000930562097 639811521 /nfs/dbraw/zinc/81/15/21/639811521.db2.gz LASUQJHBFXJGCA-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000930593709 639815170 /nfs/dbraw/zinc/81/51/70/639815170.db2.gz CMIDHNBTTOAWBZ-KOLCDFICSA-N 1 2 230.283 0.973 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000930593709 639815171 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ZINC000930867199 639958550 /nfs/dbraw/zinc/95/85/50/639958550.db2.gz OFONDHFLMLQDFK-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)CO ZINC000930867200 639959160 /nfs/dbraw/zinc/95/91/60/639959160.db2.gz OFONDHFLMLQDFK-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)CO ZINC000930867200 639959163 /nfs/dbraw/zinc/95/91/63/639959163.db2.gz OFONDHFLMLQDFK-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO CC1(C)C[C@](C)([NH2+]CCC2OCCO2)C(=O)O1 ZINC000930874772 639964273 /nfs/dbraw/zinc/96/42/73/639964273.db2.gz IQYTWSMGCSZLQM-LBPRGKRZSA-N 1 2 243.303 0.823 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC2(COC2)O1 ZINC000930914004 639985158 /nfs/dbraw/zinc/98/51/58/639985158.db2.gz CGLSNKNCFVRJHU-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC2(COC2)O1 ZINC000930914004 639985162 /nfs/dbraw/zinc/98/51/62/639985162.db2.gz CGLSNKNCFVRJHU-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCC2(COC2)O1 ZINC000930914004 639985166 /nfs/dbraw/zinc/98/51/66/639985166.db2.gz CGLSNKNCFVRJHU-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCC2(COC2)O1 ZINC000930914004 639985174 /nfs/dbraw/zinc/98/51/74/639985174.db2.gz CGLSNKNCFVRJHU-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930915612 639987348 /nfs/dbraw/zinc/98/73/48/639987348.db2.gz KCBUWQPPQSPUSD-ZMLRMANQSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930915612 639987358 /nfs/dbraw/zinc/98/73/58/639987358.db2.gz KCBUWQPPQSPUSD-ZMLRMANQSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930915612 639987363 /nfs/dbraw/zinc/98/73/63/639987363.db2.gz KCBUWQPPQSPUSD-ZMLRMANQSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930915612 639987368 /nfs/dbraw/zinc/98/73/68/639987368.db2.gz 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/nfs/dbraw/zinc/07/61/58/640076158.db2.gz RKDIQYQEYODMGV-VHSXEESVSA-N 1 2 224.308 0.959 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140631 640077111 /nfs/dbraw/zinc/07/71/11/640077111.db2.gz RKDIQYQEYODMGV-UWVGGRQHSA-N 1 2 224.308 0.959 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140631 640077113 /nfs/dbraw/zinc/07/71/13/640077113.db2.gz RKDIQYQEYODMGV-UWVGGRQHSA-N 1 2 224.308 0.959 20 0 BCADLO c1nnc([C@@H]2CCC[N@H+]2CCc2cn[nH]c2)[nH]1 ZINC000931140298 640077129 /nfs/dbraw/zinc/07/71/29/640077129.db2.gz KNHIUIGYAMCXAS-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO c1nnc([C@@H]2CCC[N@@H+]2CCc2cn[nH]c2)[nH]1 ZINC000931140298 640077132 /nfs/dbraw/zinc/07/71/32/640077132.db2.gz KNHIUIGYAMCXAS-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCO[C@@H]1CC1(F)F ZINC000912450073 640080483 /nfs/dbraw/zinc/08/04/83/640080483.db2.gz GJUZHJWJHZBCKN-MRVPVSSYSA-N 1 2 245.229 0.493 20 0 BCADLO CON1CC[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O 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ZINC000931234195 640108052 /nfs/dbraw/zinc/10/80/52/640108052.db2.gz MYWUMHGRQVNWSR-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235711 640108153 /nfs/dbraw/zinc/10/81/53/640108153.db2.gz GAQVUERDFQFQMX-SCZZXKLOSA-N 1 2 233.333 0.283 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235711 640108156 /nfs/dbraw/zinc/10/81/56/640108156.db2.gz GAQVUERDFQFQMX-SCZZXKLOSA-N 1 2 233.333 0.283 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584694 640122205 /nfs/dbraw/zinc/12/22/05/640122205.db2.gz SDIAREWMUATMTA-AARLMMRRSA-N 1 2 221.260 0.381 20 0 BCADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)c1nn[nH]n1 ZINC000912617549 640124405 /nfs/dbraw/zinc/12/44/05/640124405.db2.gz FYRMCCXQAKUMBH-YUMQZZPRSA-N 1 2 238.295 0.035 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CSC1 ZINC000912630543 640146253 /nfs/dbraw/zinc/14/62/53/640146253.db2.gz MMPONIPUNMJWLV-OWOJBTEDSA-N 1 2 242.344 0.106 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)[C@H](CO)C2)c(C)n1 ZINC000931402682 640183661 /nfs/dbraw/zinc/18/36/61/640183661.db2.gz WVGQEOGGARWNBZ-AWEZNQCLSA-N 1 2 249.358 0.807 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)[C@H](CO)C2)c(C)n1 ZINC000931402682 640183666 /nfs/dbraw/zinc/18/36/66/640183666.db2.gz WVGQEOGGARWNBZ-AWEZNQCLSA-N 1 2 249.358 0.807 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(CCF)CC2)[C@H](CO)C1 ZINC000912737139 640186280 /nfs/dbraw/zinc/18/62/80/640186280.db2.gz GTPPJWRRHPMYKO-JTQLQIEISA-N 1 2 244.310 0.261 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(CCF)CC2)[C@H](CO)C1 ZINC000912737139 640186288 /nfs/dbraw/zinc/18/62/88/640186288.db2.gz GTPPJWRRHPMYKO-JTQLQIEISA-N 1 2 244.310 0.261 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739705 640191285 /nfs/dbraw/zinc/19/12/85/640191285.db2.gz FMCBFAHOWUZVSF-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739705 640191287 /nfs/dbraw/zinc/19/12/87/640191287.db2.gz FMCBFAHOWUZVSF-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452123 640211846 /nfs/dbraw/zinc/21/18/46/640211846.db2.gz IKXSXQXHQLBZPF-NKWVEPMBSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452123 640211853 /nfs/dbraw/zinc/21/18/53/640211853.db2.gz IKXSXQXHQLBZPF-NKWVEPMBSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)Cc2c[nH]nc21 ZINC000931455886 640213450 /nfs/dbraw/zinc/21/34/50/640213450.db2.gz PURSYWOZUWXERA-QMMMGPOBSA-N 1 2 222.292 0.417 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)Cc2c[nH]nc21 ZINC000931455886 640213454 /nfs/dbraw/zinc/21/34/54/640213454.db2.gz PURSYWOZUWXERA-QMMMGPOBSA-N 1 2 222.292 0.417 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456701 640214077 /nfs/dbraw/zinc/21/40/77/640214077.db2.gz WXSDOIJLLBRECA-BDAKNGLRSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456701 640214086 /nfs/dbraw/zinc/21/40/86/640214086.db2.gz WXSDOIJLLBRECA-BDAKNGLRSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457919 640215576 /nfs/dbraw/zinc/21/55/76/640215576.db2.gz CVGQAFYMEKXJKU-PSASIEDQSA-N 1 2 234.303 0.560 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457919 640215587 /nfs/dbraw/zinc/21/55/87/640215587.db2.gz CVGQAFYMEKXJKU-PSASIEDQSA-N 1 2 234.303 0.560 20 0 BCADLO COc1cncc(NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000912834223 640222052 /nfs/dbraw/zinc/22/20/52/640222052.db2.gz SMZSXSDBBNVOCM-UHFFFAOYSA-N 1 2 247.258 0.698 20 0 BCADLO Cn1nnc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000912835227 640223824 /nfs/dbraw/zinc/22/38/24/640223824.db2.gz OYWADUBIBZQXQP-SSDOTTSWSA-N 1 2 238.295 0.021 20 0 BCADLO Cn1nnc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000912835227 640223829 /nfs/dbraw/zinc/22/38/29/640223829.db2.gz OYWADUBIBZQXQP-SSDOTTSWSA-N 1 2 238.295 0.021 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC2(C1)CCCO2 ZINC000913008209 640273672 /nfs/dbraw/zinc/27/36/72/640273672.db2.gz HMUMKDWHHJWULI-UHFFFAOYSA-N 1 2 247.298 0.885 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1[nH]nc2c1COCC2 ZINC000931699803 640322184 /nfs/dbraw/zinc/32/21/84/640322184.db2.gz HRIMGGIYIAXBRK-SECBINFHSA-N 1 2 235.287 0.215 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1[nH]nc2c1COCC2 ZINC000931699803 640322189 /nfs/dbraw/zinc/32/21/89/640322189.db2.gz HRIMGGIYIAXBRK-SECBINFHSA-N 1 2 235.287 0.215 20 0 BCADLO CC[C@H](CO)[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000931756635 640352155 /nfs/dbraw/zinc/35/21/55/640352155.db2.gz LAWVKEZARIVNGE-VWYCJHECSA-N 1 2 245.319 0.458 20 0 BCADLO CCCc1nc(C[NH2+][C@@H](CC)CO)no1 ZINC000931767782 640361207 /nfs/dbraw/zinc/36/12/07/640361207.db2.gz WRFRTGLMIGGQPG-QMMMGPOBSA-N 1 2 213.281 0.883 20 0 BCADLO CC(C)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441886 640369523 /nfs/dbraw/zinc/36/95/23/640369523.db2.gz ULZAVMDXYDUHHJ-NSHDSACASA-N 1 2 236.319 0.929 20 0 BCADLO CC1(C)C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913449808 640372856 /nfs/dbraw/zinc/37/28/56/640372856.db2.gz PWPUHFQTYXLNAD-MNOVXSKESA-N 1 2 248.330 0.929 20 0 BCADLO O=C(/C=C\C1CC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447727 640373225 /nfs/dbraw/zinc/37/32/25/640373225.db2.gz SRCQQWKJXBWPBQ-VSQXVHSFSA-N 1 2 246.314 0.849 20 0 BCADLO O=C(c1cc[nH]c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448788 640373739 /nfs/dbraw/zinc/37/37/39/640373739.db2.gz ZQFWPYFJANLURZ-NSHDSACASA-N 1 2 245.286 0.525 20 0 BCADLO O=C(C1=CCCC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448089 640373766 /nfs/dbraw/zinc/37/37/66/640373766.db2.gz YCJZFQMVZAQADE-GFCCVEGCSA-N 1 2 246.314 0.993 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C=O)c[nH]1 ZINC000913534191 640388681 /nfs/dbraw/zinc/38/86/81/640388681.db2.gz QDTJTYPGOOWLEB-PHIMTYICSA-N 1 2 247.298 0.746 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C=O)c[nH]1 ZINC000913534191 640388686 /nfs/dbraw/zinc/38/86/86/640388686.db2.gz QDTJTYPGOOWLEB-PHIMTYICSA-N 1 2 247.298 0.746 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913546259 640389000 /nfs/dbraw/zinc/38/90/00/640389000.db2.gz LAYYDHATRGSATP-WOPDTQHZSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913546259 640389006 /nfs/dbraw/zinc/38/90/06/640389006.db2.gz LAYYDHATRGSATP-WOPDTQHZSA-N 1 2 240.347 0.558 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547366 640389334 /nfs/dbraw/zinc/38/93/34/640389334.db2.gz MOMRTIGQAOVLEF-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547366 640389342 /nfs/dbraw/zinc/38/93/42/640389342.db2.gz MOMRTIGQAOVLEF-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@H]1CO ZINC000913542660 640393031 /nfs/dbraw/zinc/39/30/31/640393031.db2.gz OPOXLRRXBNBMMI-TUAOUCFPSA-N 1 2 238.331 0.167 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@H]1CO ZINC000913542660 640393036 /nfs/dbraw/zinc/39/30/36/640393036.db2.gz OPOXLRRXBNBMMI-TUAOUCFPSA-N 1 2 238.331 0.167 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931949006 640402573 /nfs/dbraw/zinc/40/25/73/640402573.db2.gz JMBODMMZYVKGJT-VIFPVBQESA-N 1 2 238.291 0.303 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931949006 640402575 /nfs/dbraw/zinc/40/25/75/640402575.db2.gz JMBODMMZYVKGJT-VIFPVBQESA-N 1 2 238.291 0.303 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102509 640423706 /nfs/dbraw/zinc/42/37/06/640423706.db2.gz DWAKMAWPKNHTKZ-NXEZZACHSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102509 640423710 /nfs/dbraw/zinc/42/37/10/640423710.db2.gz DWAKMAWPKNHTKZ-NXEZZACHSA-N 1 2 243.303 0.681 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cc(C)on1 ZINC000044724882 640461993 /nfs/dbraw/zinc/46/19/93/640461993.db2.gz BDXRIMBJGNWGIK-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932272332 640470441 /nfs/dbraw/zinc/47/04/41/640470441.db2.gz CWBXKEYXGMFJJJ-LLVKDONJSA-N 1 2 236.319 0.693 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932272332 640470445 /nfs/dbraw/zinc/47/04/45/640470445.db2.gz CWBXKEYXGMFJJJ-LLVKDONJSA-N 1 2 236.319 0.693 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nccc(N)n2)CCO1 ZINC000932338378 640480647 /nfs/dbraw/zinc/48/06/47/640480647.db2.gz ABPGJIOMASCTBC-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nccc(N)n2)CCO1 ZINC000932338378 640480650 /nfs/dbraw/zinc/48/06/50/640480650.db2.gz ABPGJIOMASCTBC-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO O=C1NCCC[C@H]1[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358116 640497791 /nfs/dbraw/zinc/49/77/91/640497791.db2.gz VJESWHQUUFPIJF-GHMZBOCLSA-N 1 2 246.314 0.796 20 0 BCADLO CC[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(N)=O ZINC000932360356 640499268 /nfs/dbraw/zinc/49/92/68/640499268.db2.gz LOWUGXQENPRLII-UWVGGRQHSA-N 1 2 234.303 0.781 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358119 640499454 /nfs/dbraw/zinc/49/94/54/640499454.db2.gz VJESWHQUUFPIJF-WDEREUQCSA-N 1 2 246.314 0.796 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1(n2cccn2)CC1 ZINC000932479219 640546038 /nfs/dbraw/zinc/54/60/38/640546038.db2.gz WWJMUSXRJMXVLX-UHFFFAOYSA-N 1 2 245.286 0.454 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(=O)[nH]cn1 ZINC000165232731 640550650 /nfs/dbraw/zinc/55/06/50/640550650.db2.gz RJNUUNKUBBBMKW-QMMMGPOBSA-N 1 2 219.248 0.467 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030052341 640551348 /nfs/dbraw/zinc/55/13/48/640551348.db2.gz LIYSMPPESQVQGV-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000932489747 640554561 /nfs/dbraw/zinc/55/45/61/640554561.db2.gz SDYHMIICIIJAHR-SCZZXKLOSA-N 1 2 248.286 0.147 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030058147 640554840 /nfs/dbraw/zinc/55/48/40/640554840.db2.gz YAKFDVIVGNZOAM-VIFPVBQESA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CCCCC2)C1 ZINC001030062080 640562008 /nfs/dbraw/zinc/56/20/08/640562008.db2.gz WCJCQHQJZLWBJO-SNVBAGLBSA-N 1 2 240.347 0.748 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCn2cccc2C1 ZINC000932529503 640569011 /nfs/dbraw/zinc/56/90/11/640569011.db2.gz RDJAFZQGGCBTSO-JTQLQIEISA-N 1 2 207.277 0.568 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCn2cccc2C1 ZINC000932529503 640569020 /nfs/dbraw/zinc/56/90/20/640569020.db2.gz RDJAFZQGGCBTSO-JTQLQIEISA-N 1 2 207.277 0.568 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCn2cccc2C1 ZINC000932527531 640570331 /nfs/dbraw/zinc/57/03/31/640570331.db2.gz YMGRTRLQDRFEBR-UHFFFAOYSA-N 1 2 234.303 0.329 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCn2cccc2C1 ZINC000932527531 640570340 /nfs/dbraw/zinc/57/03/40/640570340.db2.gz YMGRTRLQDRFEBR-UHFFFAOYSA-N 1 2 234.303 0.329 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCn2cccc2C1 ZINC000932527538 640570932 /nfs/dbraw/zinc/57/09/32/640570932.db2.gz YOAXQBRSXVMCSP-UHFFFAOYSA-N 1 2 235.287 0.756 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCn2cccc2C1 ZINC000932527538 640570940 /nfs/dbraw/zinc/57/09/40/640570940.db2.gz YOAXQBRSXVMCSP-UHFFFAOYSA-N 1 2 235.287 0.756 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)C1=COCCO1 ZINC001030071808 640575711 /nfs/dbraw/zinc/57/57/11/640575711.db2.gz SDGZIYUMFQMIEH-UHFFFAOYSA-N 1 2 244.266 0.035 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030073706 640578348 /nfs/dbraw/zinc/57/83/48/640578348.db2.gz LAIPPONQDKNPLW-WPRPVWTQSA-N 1 2 212.293 0.089 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000932606715 640584164 /nfs/dbraw/zinc/58/41/64/640584164.db2.gz YYWYYTOBQKBQDT-GHMZBOCLSA-N 1 2 248.282 0.950 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)c1ccsc1 ZINC001030086283 640584557 /nfs/dbraw/zinc/58/45/57/640584557.db2.gz WHBACRPPGYZRJF-UHFFFAOYSA-N 1 2 240.328 0.545 20 0 BCADLO CC(C)C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030108606 640596165 /nfs/dbraw/zinc/59/61/65/640596165.db2.gz IWLPZCBDASGGPG-UHFFFAOYSA-N 1 2 236.319 0.340 20 0 BCADLO Cc1ccoc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030106109 640597783 /nfs/dbraw/zinc/59/77/83/640597783.db2.gz YGVOXJHFDQRMIB-VIFPVBQESA-N 1 2 238.287 0.383 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030112610 640603508 /nfs/dbraw/zinc/60/35/08/640603508.db2.gz LKOYQNNLJADBPG-UHFFFAOYSA-N 1 2 207.277 0.459 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030131339 640624459 /nfs/dbraw/zinc/62/44/59/640624459.db2.gz QOSJRKHWEMFYGE-VHSXEESVSA-N 1 2 212.293 0.232 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CCOC1 ZINC001030145415 640632724 /nfs/dbraw/zinc/63/27/24/640632724.db2.gz IVPUUVJENNDXER-VIFPVBQESA-N 1 2 230.283 0.183 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2ccon2)C1 ZINC001030166689 640650067 /nfs/dbraw/zinc/65/00/67/640650067.db2.gz HPQTZHDNBRNPBR-UHFFFAOYSA-N 1 2 249.314 0.984 20 0 BCADLO Cc1ncoc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030188374 640666480 /nfs/dbraw/zinc/66/64/80/640666480.db2.gz XVTUVHCMNJBCKB-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CC(OC)OC ZINC000933163190 640672493 /nfs/dbraw/zinc/67/24/93/640672493.db2.gz VCSXCPSQTLPWEA-SKDRFNHKSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CC(OC)OC ZINC000933163190 640672495 /nfs/dbraw/zinc/67/24/95/640672495.db2.gz VCSXCPSQTLPWEA-SKDRFNHKSA-N 1 2 243.303 0.633 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1CC1CC1)N1CCC1 ZINC000933212838 640683443 /nfs/dbraw/zinc/68/34/43/640683443.db2.gz JCQCDTQUKRLTFB-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1CC1CC1)N1CCC1 ZINC000933212838 640683448 /nfs/dbraw/zinc/68/34/48/640683448.db2.gz JCQCDTQUKRLTFB-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cncn1C ZINC000933221917 640684743 /nfs/dbraw/zinc/68/47/43/640684743.db2.gz MBCONCGINNKWSJ-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cncn1C ZINC000933221917 640684745 /nfs/dbraw/zinc/68/47/45/640684745.db2.gz MBCONCGINNKWSJ-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)nc1 ZINC000933228304 640688547 /nfs/dbraw/zinc/68/85/47/640688547.db2.gz UNEKFGBEZDYNCX-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)nc1 ZINC000933228304 640688549 /nfs/dbraw/zinc/68/85/49/640688549.db2.gz UNEKFGBEZDYNCX-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCNC(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933263036 640691529 /nfs/dbraw/zinc/69/15/29/640691529.db2.gz GZHDRFQLFKGVMH-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)OC)C2 ZINC000933258882 640692246 /nfs/dbraw/zinc/69/22/46/640692246.db2.gz JDOMVOVMQUUTDX-SECBINFHSA-N 1 2 237.303 0.823 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cc(OC)no2)C1 ZINC001030237301 640700284 /nfs/dbraw/zinc/70/02/84/640700284.db2.gz ZUHBFZCKIRBZED-UHFFFAOYSA-N 1 2 239.275 0.507 20 0 BCADLO CC[C@](C)(O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933299753 640703011 /nfs/dbraw/zinc/70/30/11/640703011.db2.gz WJIDLCZGMBJEFE-JQWIXIFHSA-N 1 2 239.319 0.796 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCOC[C@@H]1COC ZINC000933328484 640703899 /nfs/dbraw/zinc/70/38/99/640703899.db2.gz FNALKFYRLVRCLV-MCWZUMHDSA-N 1 2 229.320 0.926 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCOC[C@@H]1COC ZINC000933328484 640703892 /nfs/dbraw/zinc/70/38/92/640703892.db2.gz FNALKFYRLVRCLV-MCWZUMHDSA-N 1 2 229.320 0.926 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933321685 640704265 /nfs/dbraw/zinc/70/42/65/640704265.db2.gz CBFCEMRFFAQNPN-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933321685 640704270 /nfs/dbraw/zinc/70/42/70/640704270.db2.gz CBFCEMRFFAQNPN-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001030253805 640709584 /nfs/dbraw/zinc/70/95/84/640709584.db2.gz VPGKHMJVXRWUKC-KOLCDFICSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538330 640723586 /nfs/dbraw/zinc/72/35/86/640723586.db2.gz HPOMMCHIRLZRCF-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538330 640723589 /nfs/dbraw/zinc/72/35/89/640723589.db2.gz HPOMMCHIRLZRCF-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(=O)cc[nH]2)CC[N@@H+]1C ZINC000933558809 640725609 /nfs/dbraw/zinc/72/56/09/640725609.db2.gz LPTDSYLGXSIXKK-SECBINFHSA-N 1 2 235.287 0.151 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(=O)cc[nH]2)CC[N@H+]1C ZINC000933558809 640725614 /nfs/dbraw/zinc/72/56/14/640725614.db2.gz LPTDSYLGXSIXKK-SECBINFHSA-N 1 2 235.287 0.151 20 0 BCADLO Cc1c[nH]nc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030289974 640734043 /nfs/dbraw/zinc/73/40/43/640734043.db2.gz PPWSRJLJUFXYST-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nn(C)cc2C)C1 ZINC001030294133 640736913 /nfs/dbraw/zinc/73/69/13/640736913.db2.gz XUMSDFDWAZMZKN-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO CCn1ncnc1C[N@H+](CC)CCC(=O)NC ZINC000933861935 640774370 /nfs/dbraw/zinc/77/43/70/640774370.db2.gz FCFIHVOVCXRNCB-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)CCC(=O)NC ZINC000933861935 640774373 /nfs/dbraw/zinc/77/43/73/640774373.db2.gz FCFIHVOVCXRNCB-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CC[N@H+](CCC(=O)NC)Cc1nnc(C)[nH]1 ZINC000933861612 640774609 /nfs/dbraw/zinc/77/46/09/640774609.db2.gz DKJSJZCADZTEID-UHFFFAOYSA-N 1 2 225.296 0.071 20 0 BCADLO CC[N@@H+](CCC(=O)NC)Cc1nnc(C)[nH]1 ZINC000933861612 640774613 /nfs/dbraw/zinc/77/46/13/640774613.db2.gz DKJSJZCADZTEID-UHFFFAOYSA-N 1 2 225.296 0.071 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900425 640785824 /nfs/dbraw/zinc/78/58/24/640785824.db2.gz JRDVQGDEBMCGED-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900425 640785829 /nfs/dbraw/zinc/78/58/29/640785829.db2.gz JRDVQGDEBMCGED-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C(F)(F)C(F)F ZINC000226642844 640786073 /nfs/dbraw/zinc/78/60/73/640786073.db2.gz IMNCDVPGMOQDIM-UHFFFAOYSA-N 1 2 239.172 0.969 20 0 BCADLO Cc1oncc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967934 640797100 /nfs/dbraw/zinc/79/71/00/640797100.db2.gz VKVYEWOESLWLHU-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO Cc1oncc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967934 640797104 /nfs/dbraw/zinc/79/71/04/640797104.db2.gz VKVYEWOESLWLHU-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO COc1nccc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000933990108 640798867 /nfs/dbraw/zinc/79/88/67/640798867.db2.gz BWLXCCBXUKDNPD-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934024737 640800755 /nfs/dbraw/zinc/80/07/55/640800755.db2.gz BCUVLVCAZNTMKN-UWVGGRQHSA-N 1 2 214.309 0.214 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934024737 640800758 /nfs/dbraw/zinc/80/07/58/640800758.db2.gz BCUVLVCAZNTMKN-UWVGGRQHSA-N 1 2 214.309 0.214 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934024739 640801599 /nfs/dbraw/zinc/80/15/99/640801599.db2.gz BCUVLVCAZNTMKN-ZJUUUORDSA-N 1 2 214.309 0.214 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934024739 640801604 /nfs/dbraw/zinc/80/16/04/640801604.db2.gz BCUVLVCAZNTMKN-ZJUUUORDSA-N 1 2 214.309 0.214 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc(COC)c2)C1 ZINC001030462531 640867645 /nfs/dbraw/zinc/86/76/45/640867645.db2.gz CVVIKFXTSUFFOJ-UHFFFAOYSA-N 1 2 249.314 0.662 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001030483090 640876229 /nfs/dbraw/zinc/87/62/29/640876229.db2.gz ZSADGHFRLDWDLN-UHFFFAOYSA-N 1 2 244.298 0.948 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001030494258 640881432 /nfs/dbraw/zinc/88/14/32/640881432.db2.gz RPRBHFCIWFZPDV-UHFFFAOYSA-N 1 2 248.330 0.653 20 0 BCADLO CNc1cc(N(CCO)C2CCC2)nc[nH+]1 ZINC000228590226 640883199 /nfs/dbraw/zinc/88/31/99/640883199.db2.gz ZECHNRDZUPLHFN-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N(CCO)C2CCC2)[nH+]cn1 ZINC000228590226 640883203 /nfs/dbraw/zinc/88/32/03/640883203.db2.gz ZECHNRDZUPLHFN-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC1(F)F ZINC001030500756 640887256 /nfs/dbraw/zinc/88/72/56/640887256.db2.gz LVOKJHRSIKPKCR-VIFPVBQESA-N 1 2 248.273 0.215 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001030506202 640889318 /nfs/dbraw/zinc/88/93/18/640889318.db2.gz FCXOLGURONXJLT-UWVGGRQHSA-N 1 2 240.347 0.604 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001030554790 640909231 /nfs/dbraw/zinc/90/92/31/640909231.db2.gz OABSNDSWXDAREJ-JTQLQIEISA-N 1 2 248.330 0.266 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1cscn1 ZINC000229130176 640925185 /nfs/dbraw/zinc/92/51/85/640925185.db2.gz QXDAKUJWNDJUIO-NKWVEPMBSA-N 1 2 239.300 0.599 20 0 BCADLO CCCNc1cc(NC(CO)CO)nc[nH+]1 ZINC000087836741 641065254 /nfs/dbraw/zinc/06/52/54/641065254.db2.gz OESWWBHJKGKMKZ-UHFFFAOYSA-N 1 2 226.280 0.064 20 0 BCADLO CCCNc1cc(NC(CO)CO)[nH+]cn1 ZINC000087836741 641065258 /nfs/dbraw/zinc/06/52/58/641065258.db2.gz OESWWBHJKGKMKZ-UHFFFAOYSA-N 1 2 226.280 0.064 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000934111760 641074897 /nfs/dbraw/zinc/07/48/97/641074897.db2.gz OPLBOQABPPQAGB-UWVGGRQHSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000934111760 641074899 /nfs/dbraw/zinc/07/48/99/641074899.db2.gz OPLBOQABPPQAGB-UWVGGRQHSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H](Cc1cccnc1)[NH2+]Cc1c[nH]nn1 ZINC000934231427 641110349 /nfs/dbraw/zinc/11/03/49/641110349.db2.gz RUGYLEDEYVEKQH-SECBINFHSA-N 1 2 217.276 0.921 20 0 BCADLO C[C@H](Cc1cccnc1)[NH2+]Cc1cn[nH]n1 ZINC000934231427 641110354 /nfs/dbraw/zinc/11/03/54/641110354.db2.gz RUGYLEDEYVEKQH-SECBINFHSA-N 1 2 217.276 0.921 20 0 BCADLO OCC[C@@H]1COCC[N@@H+]1CCc1cscn1 ZINC000934284813 641118319 /nfs/dbraw/zinc/11/83/19/641118319.db2.gz JTYCUPUIOQOXNX-LLVKDONJSA-N 1 2 242.344 0.769 20 0 BCADLO OCC[C@@H]1COCC[N@H+]1CCc1cscn1 ZINC000934284813 641118323 /nfs/dbraw/zinc/11/83/23/641118323.db2.gz JTYCUPUIOQOXNX-LLVKDONJSA-N 1 2 242.344 0.769 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)CCN1c1ccccc1 ZINC000934324966 641126254 /nfs/dbraw/zinc/12/62/54/641126254.db2.gz MLUHHSFXMGHMSE-LLVKDONJSA-N 1 2 233.315 0.682 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)CCN1c1ccccc1 ZINC000934324966 641126260 /nfs/dbraw/zinc/12/62/60/641126260.db2.gz MLUHHSFXMGHMSE-LLVKDONJSA-N 1 2 233.315 0.682 20 0 BCADLO c1[nH]nnc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934391052 641138143 /nfs/dbraw/zinc/13/81/43/641138143.db2.gz MFRQDLGLCOXCTK-JTQLQIEISA-N 1 2 222.292 0.996 20 0 BCADLO c1n[nH]nc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934391052 641138148 /nfs/dbraw/zinc/13/81/48/641138148.db2.gz MFRQDLGLCOXCTK-JTQLQIEISA-N 1 2 222.292 0.996 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC12CCOCC2 ZINC000934405094 641140238 /nfs/dbraw/zinc/14/02/38/641140238.db2.gz GYUPUOVLBFTFGS-UWVGGRQHSA-N 1 2 243.303 0.476 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc(Cl)n2C)C1 ZINC001030677529 641173442 /nfs/dbraw/zinc/17/34/42/641173442.db2.gz VGKUNPXBCNPNDQ-UHFFFAOYSA-N 1 2 242.710 0.507 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160658490 641176236 /nfs/dbraw/zinc/17/62/36/641176236.db2.gz NESFLSCBDIANNN-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160658490 641176244 /nfs/dbraw/zinc/17/62/44/641176244.db2.gz NESFLSCBDIANNN-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO O[C@H]1CC[N@@H+](CCOC(F)F)C[C@H]1F ZINC000934561724 641193683 /nfs/dbraw/zinc/19/36/83/641193683.db2.gz TUPXFDZSVBSUFN-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CC[C@H](C)O ZINC000231697715 641191616 /nfs/dbraw/zinc/19/16/16/641191616.db2.gz SKEYEMKHVUDHSL-JTQLQIEISA-N 1 2 237.365 0.514 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000231697715 641191621 /nfs/dbraw/zinc/19/16/21/641191621.db2.gz SKEYEMKHVUDHSL-JTQLQIEISA-N 1 2 237.365 0.514 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCN1C ZINC000307937696 641193210 /nfs/dbraw/zinc/19/32/10/641193210.db2.gz PNIWBOWVVFEPOC-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCN1C ZINC000307937696 641193215 /nfs/dbraw/zinc/19/32/15/641193215.db2.gz PNIWBOWVVFEPOC-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO O[C@H]1CC[N@H+](CCOC(F)F)C[C@H]1F ZINC000934561724 641193678 /nfs/dbraw/zinc/19/36/78/641193678.db2.gz TUPXFDZSVBSUFN-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO CC[C@H](CO)N1CC[NH+](CCC(C)=O)CC1 ZINC000173738881 641196515 /nfs/dbraw/zinc/19/65/15/641196515.db2.gz WYXZUJIMCDYECB-GFCCVEGCSA-N 1 2 228.336 0.354 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934571252 641200189 /nfs/dbraw/zinc/20/01/89/641200189.db2.gz QMVNUWXFHXBIRD-DTWKUNHWSA-N 1 2 219.256 0.344 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934571252 641200198 /nfs/dbraw/zinc/20/01/98/641200198.db2.gz QMVNUWXFHXBIRD-DTWKUNHWSA-N 1 2 219.256 0.344 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C[C@H]1F ZINC000934575428 641207968 /nfs/dbraw/zinc/20/79/68/641207968.db2.gz NJSFSBPJCDAHOX-IJLUTSLNSA-N 1 2 247.310 0.587 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1F ZINC000934575428 641207974 /nfs/dbraw/zinc/20/79/74/641207974.db2.gz NJSFSBPJCDAHOX-IJLUTSLNSA-N 1 2 247.310 0.587 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2cscn2)no1 ZINC000088001270 641226454 /nfs/dbraw/zinc/22/64/54/641226454.db2.gz VDWNDLXLTCYCPO-YFKPBYRVSA-N 1 2 226.261 0.839 20 0 BCADLO Cn1nnnc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934689671 641247265 /nfs/dbraw/zinc/24/72/65/641247265.db2.gz YPGLGOYQDFIWNY-GFCCVEGCSA-N 1 2 244.302 0.846 20 0 BCADLO CC[C@](C)(O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000934911950 641300986 /nfs/dbraw/zinc/30/09/86/641300986.db2.gz FIJCUQAQFILUAA-LBPRGKRZSA-N 1 2 239.319 0.893 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1cccc(F)c1O ZINC000935045359 641324427 /nfs/dbraw/zinc/32/44/27/641324427.db2.gz IIOLUGGEHUUKEO-UHFFFAOYSA-N 1 2 238.262 0.967 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cnco2)C1 ZINC001030760633 641339140 /nfs/dbraw/zinc/33/91/40/641339140.db2.gz LBRDSWLRMBHJGF-QMMMGPOBSA-N 1 2 241.266 0.837 20 0 BCADLO O=C(C[C@@H]1CC=CCC1)NC1C[NH+](CCO)C1 ZINC001030796855 641356883 /nfs/dbraw/zinc/35/68/83/641356883.db2.gz HPNDHUILABCBNQ-LLVKDONJSA-N 1 2 238.331 0.526 20 0 BCADLO C[C@H]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001030808932 641362628 /nfs/dbraw/zinc/36/26/28/641362628.db2.gz CASYZPCDLUSFMP-WDEREUQCSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1CC2(CCC2)C1 ZINC001030809698 641363355 /nfs/dbraw/zinc/36/33/55/641363355.db2.gz GTZRENNCCHAUBS-UHFFFAOYSA-N 1 2 238.331 0.359 20 0 BCADLO Cc1coc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001030812941 641364326 /nfs/dbraw/zinc/36/43/26/641364326.db2.gz DXLNNDLVNPEDCB-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO CC1(C)CC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030815164 641365356 /nfs/dbraw/zinc/36/53/56/641365356.db2.gz HTSDJRVBXWMTOK-SNVBAGLBSA-N 1 2 226.320 0.215 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001030816721 641366077 /nfs/dbraw/zinc/36/60/77/641366077.db2.gz IMSSGJQXIODPEW-VIFPVBQESA-N 1 2 240.347 0.604 20 0 BCADLO COCC[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001030816610 641366942 /nfs/dbraw/zinc/36/69/42/641366942.db2.gz DMZIQJTXNKLUCG-UHFFFAOYSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[NH+]1CC(NC(=O)[C@@]2(F)CCOC2)C1 ZINC001030840618 641377045 /nfs/dbraw/zinc/37/70/45/641377045.db2.gz LOPWXIRTTZWDTD-LLVKDONJSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@@H](F)C1 ZINC001030854971 641384157 /nfs/dbraw/zinc/38/41/57/641384157.db2.gz FHIRRLBCVUACDL-NXEZZACHSA-N 1 2 244.310 0.307 20 0 BCADLO CC[C@@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000935328791 641386834 /nfs/dbraw/zinc/38/68/34/641386834.db2.gz BYGFKNJOMKOCLS-LLVKDONJSA-N 1 2 225.292 0.240 20 0 BCADLO C[C@@H]1CCCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030872155 641393984 /nfs/dbraw/zinc/39/39/84/641393984.db2.gz LKCWBNVOWLPEJI-ZYHUDNBSSA-N 1 2 240.347 0.605 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1ccns1 ZINC000929682165 641395267 /nfs/dbraw/zinc/39/52/67/641395267.db2.gz CTXWDFQQQZRQCL-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1ccns1 ZINC000929682165 641395270 /nfs/dbraw/zinc/39/52/70/641395270.db2.gz CTXWDFQQQZRQCL-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO Cc1ncccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030874715 641395366 /nfs/dbraw/zinc/39/53/66/641395366.db2.gz AIINTNCGXOYZFZ-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO Cc1ncccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030874981 641395620 /nfs/dbraw/zinc/39/56/20/641395620.db2.gz KWVMUVAANOMMQW-VIFPVBQESA-N 1 2 249.314 0.185 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccnc2OC)C1 ZINC001030890948 641404493 /nfs/dbraw/zinc/40/44/93/641404493.db2.gz HROIHTPQKCEYFZ-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2conc2C)C1 ZINC001030888319 641405405 /nfs/dbraw/zinc/40/54/05/641405405.db2.gz VTQOPPFAESDKHP-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030898789 641409207 /nfs/dbraw/zinc/40/92/07/641409207.db2.gz WTRHBJMDAGBBJP-VHSXEESVSA-N 1 2 226.320 0.215 20 0 BCADLO C[N@@H+]1CC[C@@H](C(=O)N=S(C)(C)=O)C1 ZINC000913641345 641437180 /nfs/dbraw/zinc/43/71/80/641437180.db2.gz ROMVWZOJKQMCQZ-SSDOTTSWSA-N 1 2 204.295 0.192 20 0 BCADLO C[N@H+]1CC[C@@H](C(=O)N=S(C)(C)=O)C1 ZINC000913641345 641437184 /nfs/dbraw/zinc/43/71/84/641437184.db2.gz ROMVWZOJKQMCQZ-SSDOTTSWSA-N 1 2 204.295 0.192 20 0 BCADLO CS(C)(=O)=NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000913641349 641437859 /nfs/dbraw/zinc/43/78/59/641437859.db2.gz RPGJHHBGIPSQDN-QMMMGPOBSA-N 1 2 241.316 0.700 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2ccnc21 ZINC000913670974 641454346 /nfs/dbraw/zinc/45/43/46/641454346.db2.gz LMPFONRYIURYDK-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2ccnc21 ZINC000913670974 641454352 /nfs/dbraw/zinc/45/43/52/641454352.db2.gz LMPFONRYIURYDK-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000913775775 641472043 /nfs/dbraw/zinc/47/20/43/641472043.db2.gz RRZVNTIFXFPSHI-NWDGAFQWSA-N 1 2 249.314 0.884 20 0 BCADLO C[C@H]1C[C@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913783827 641474116 /nfs/dbraw/zinc/47/41/16/641474116.db2.gz ULEQKOJIQYGYHZ-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1C[C@@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913783826 641474355 /nfs/dbraw/zinc/47/43/55/641474355.db2.gz ULEQKOJIQYGYHZ-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO COc1nccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000936023894 641520315 /nfs/dbraw/zinc/52/03/15/641520315.db2.gz APOWOKKBJYBTMU-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO CCc1cnc(C[N@H+](C)C[C@@H](O)CO)s1 ZINC000929773859 641527777 /nfs/dbraw/zinc/52/77/77/641527777.db2.gz JRFUJYPNTUVKPM-MRVPVSSYSA-N 1 2 230.333 0.491 20 0 BCADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)CO)s1 ZINC000929773859 641527780 /nfs/dbraw/zinc/52/77/80/641527780.db2.gz JRFUJYPNTUVKPM-MRVPVSSYSA-N 1 2 230.333 0.491 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030978125 641555238 /nfs/dbraw/zinc/55/52/38/641555238.db2.gz ACZBSRVDGYEAKX-IQJOONFLSA-N 1 2 226.320 0.214 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC12CC2 ZINC001031005971 641582917 /nfs/dbraw/zinc/58/29/17/641582917.db2.gz JFRIMMIQOSIFAL-JTQLQIEISA-N 1 2 226.295 0.947 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006595 641584044 /nfs/dbraw/zinc/58/40/44/641584044.db2.gz UKCJDDONTUBXNV-JTQLQIEISA-N 1 2 224.304 0.233 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](CCO)C1CC1 ZINC000226753856 641601737 /nfs/dbraw/zinc/60/17/37/641601737.db2.gz AEEBRHWNDBKQFK-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](CCO)C1CC1 ZINC000226753856 641601741 /nfs/dbraw/zinc/60/17/41/641601741.db2.gz AEEBRHWNDBKQFK-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031043857 641640727 /nfs/dbraw/zinc/64/07/27/641640727.db2.gz KHNWPJPLBFOLBD-VHSXEESVSA-N 1 2 226.320 0.215 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1=COCCO1 ZINC000047465674 641648894 /nfs/dbraw/zinc/64/88/94/641648894.db2.gz OQCNQSJIGNYHRD-UHFFFAOYSA-N 1 2 237.259 0.278 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(F)CC1 ZINC000914429668 641670260 /nfs/dbraw/zinc/67/02/60/641670260.db2.gz AZRQOQGHQJZOIT-UHFFFAOYSA-N 1 2 211.240 0.913 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001031080883 641684605 /nfs/dbraw/zinc/68/46/05/641684605.db2.gz TVCAFLMDVQVETB-KPXOXKRLSA-N 1 2 238.331 0.214 20 0 BCADLO Cc1c[nH]c(C(=O)NC2C[NH+](CCCF)C2)n1 ZINC001031078460 641684710 /nfs/dbraw/zinc/68/47/10/641684710.db2.gz LLFGMADVRWXECO-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO c1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)[nH]n1 ZINC000914433107 641702670 /nfs/dbraw/zinc/70/26/70/641702670.db2.gz KDZIAEZNRDDMOZ-GHMZBOCLSA-N 1 2 207.277 0.924 20 0 BCADLO C[C@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000049392769 641716053 /nfs/dbraw/zinc/71/60/53/641716053.db2.gz PKMGCHJJCVPDAP-MRVPVSSYSA-N 1 2 237.259 0.900 20 0 BCADLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000049392769 641716060 /nfs/dbraw/zinc/71/60/60/641716060.db2.gz PKMGCHJJCVPDAP-MRVPVSSYSA-N 1 2 237.259 0.900 20 0 BCADLO O=C(NC1C[NH+](CCC2CC2)C1)c1nnc[nH]1 ZINC001031122162 641717337 /nfs/dbraw/zinc/71/73/37/641717337.db2.gz YVXPZRHKFZMZNO-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO O=C(NC1C[NH+](CCC2CC2)C1)c1ncn[nH]1 ZINC001031122162 641717345 /nfs/dbraw/zinc/71/73/45/641717345.db2.gz YVXPZRHKFZMZNO-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO CC[C@@H](C)C[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC001031121902 641717633 /nfs/dbraw/zinc/71/76/33/641717633.db2.gz QRYMBOQDQFPGNW-MRVPVSSYSA-N 1 2 237.307 0.265 20 0 BCADLO CC[C@@H](C)C[NH+]1CC(NC(=O)c2ncn[nH]2)C1 ZINC001031121902 641717638 /nfs/dbraw/zinc/71/76/38/641717638.db2.gz QRYMBOQDQFPGNW-MRVPVSSYSA-N 1 2 237.307 0.265 20 0 BCADLO O=C(NC1C[NH+](CC2CCC2)C1)c1nnc[nH]1 ZINC001031122400 641720374 /nfs/dbraw/zinc/72/03/74/641720374.db2.gz HRPGTWIVNUNIPQ-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO O=C(NC1C[NH+](CC2CCC2)C1)c1ncn[nH]1 ZINC001031122400 641720381 /nfs/dbraw/zinc/72/03/81/641720381.db2.gz HRPGTWIVNUNIPQ-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001031150286 641738531 /nfs/dbraw/zinc/73/85/31/641738531.db2.gz JPSKWOSUFSTPCT-WPRPVWTQSA-N 1 2 212.293 0.232 20 0 BCADLO CCNC(=S)NC[C@H](C)[NH+]1CCOCC1 ZINC000914704557 641754176 /nfs/dbraw/zinc/75/41/76/641754176.db2.gz BAMIVHFNROUXEO-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@H](C)O1 ZINC000188591252 641763084 /nfs/dbraw/zinc/76/30/84/641763084.db2.gz MFRVYAAXFJIAQH-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@H](C)O1 ZINC000188591252 641763086 /nfs/dbraw/zinc/76/30/86/641763086.db2.gz MFRVYAAXFJIAQH-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001031168266 641763470 /nfs/dbraw/zinc/76/34/70/641763470.db2.gz MQWSWXYRSGDUEF-RYUDHWBXSA-N 1 2 240.347 0.725 20 0 BCADLO CCCCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000075827834 641773330 /nfs/dbraw/zinc/77/33/30/641773330.db2.gz LESGOVYSRAJTBR-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031176476 641775323 /nfs/dbraw/zinc/77/53/23/641775323.db2.gz AFDWTNBFSKQXOQ-DGCLKSJQSA-N 1 2 240.347 0.461 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccc(OC)n2)C1 ZINC001031189651 641792794 /nfs/dbraw/zinc/79/27/94/641792794.db2.gz IHEDZDQTTWSCTG-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC12CCCC2 ZINC001031205768 641811146 /nfs/dbraw/zinc/81/11/46/641811146.db2.gz RNECULSAKSSZJA-NSHDSACASA-N 1 2 238.331 0.359 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn3c2CCCC3)C1 ZINC001031206704 641813087 /nfs/dbraw/zinc/81/30/87/641813087.db2.gz WREXMYDNEOZBQR-UHFFFAOYSA-N 1 2 248.330 0.653 20 0 BCADLO Cc1conc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031211517 641820362 /nfs/dbraw/zinc/82/03/62/641820362.db2.gz XOIGJSRZLYYFIA-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO CCN(C(=O)c1cccnc1)C1C[NH+](CCO)C1 ZINC000949576432 641844647 /nfs/dbraw/zinc/84/46/47/641844647.db2.gz VEWKYUKADGNZRH-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO CCN(C(=O)c1cnccn1)C1C[NH+](CC)C1 ZINC000949594042 641845761 /nfs/dbraw/zinc/84/57/61/641845761.db2.gz CDMISHWOYTUITD-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1n[nH]cc1F ZINC001015664910 641870402 /nfs/dbraw/zinc/87/04/02/641870402.db2.gz DMBQWYUALQNXHE-ZETCQYMHSA-N 1 2 244.245 0.322 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1n[nH]cc1F ZINC001015664910 641870406 /nfs/dbraw/zinc/87/04/06/641870406.db2.gz DMBQWYUALQNXHE-ZETCQYMHSA-N 1 2 244.245 0.322 20 0 BCADLO O=C([C@H]1CC[C@@H](F)C1)N1CC[NH+](CCO)CC1 ZINC000949887923 641871719 /nfs/dbraw/zinc/87/17/19/641871719.db2.gz CBDOMLRNBUHJHX-WDEREUQCSA-N 1 2 244.310 0.261 20 0 BCADLO O=C([C@H]1CC[C@H](F)C1)N1CC[NH+](CCO)CC1 ZINC000949887922 641871967 /nfs/dbraw/zinc/87/19/67/641871967.db2.gz CBDOMLRNBUHJHX-QWRGUYRKSA-N 1 2 244.310 0.261 20 0 BCADLO CCNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000916126721 641911433 /nfs/dbraw/zinc/91/14/33/641911433.db2.gz KZDPSYANLPEVAD-UHFFFAOYSA-N 1 2 245.392 0.581 20 0 BCADLO CC[C@@H](C)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960432 641952965 /nfs/dbraw/zinc/95/29/65/641952965.db2.gz SUIMZZMMOKKCQT-HLTSFMKQSA-N 1 2 203.282 0.545 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncnc2C2CC2)C1 ZINC001031329758 641969017 /nfs/dbraw/zinc/96/90/17/641969017.db2.gz NOJNUGLGBKYKPQ-UHFFFAOYSA-N 1 2 246.314 0.788 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCCCO1 ZINC000154192101 641979098 /nfs/dbraw/zinc/97/90/98/641979098.db2.gz USMWJTHQXLFZFW-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCCCO1 ZINC000154192101 641979102 /nfs/dbraw/zinc/97/91/02/641979102.db2.gz USMWJTHQXLFZFW-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CO ZINC000923831947 642069784 /nfs/dbraw/zinc/06/97/84/642069784.db2.gz QOAVQUNSAXNIQI-BDAKNGLRSA-N 1 2 223.276 0.039 20 0 BCADLO CC[N@H+](CCOC(C)C)CCS(C)(=O)=O ZINC000154471660 642101135 /nfs/dbraw/zinc/10/11/35/642101135.db2.gz CVPFSFOQQPAUHL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CC[N@@H+](CCOC(C)C)CCS(C)(=O)=O ZINC000154471660 642101139 /nfs/dbraw/zinc/10/11/39/642101139.db2.gz CVPFSFOQQPAUHL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001031417529 642112214 /nfs/dbraw/zinc/11/22/14/642112214.db2.gz KMOLURZLUAGQPA-VIFPVBQESA-N 1 2 248.330 0.335 20 0 BCADLO CCCOC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000918275933 642182564 /nfs/dbraw/zinc/18/25/64/642182564.db2.gz DJKBFELXMXFVCU-UHFFFAOYSA-N 1 2 242.319 0.986 20 0 BCADLO Cc1ocnc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031570461 642320964 /nfs/dbraw/zinc/32/09/64/642320964.db2.gz BYLBLFCAHBOZGZ-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H]1CC1(Cl)Cl ZINC000307988529 642330424 /nfs/dbraw/zinc/33/04/24/642330424.db2.gz SCZDNKHPWDRWGF-RXMQYKEDSA-N 1 2 211.092 0.597 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H]1CC1(Cl)Cl ZINC000307988529 642330429 /nfs/dbraw/zinc/33/04/29/642330429.db2.gz SCZDNKHPWDRWGF-RXMQYKEDSA-N 1 2 211.092 0.597 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CCOC ZINC000919674531 642374433 /nfs/dbraw/zinc/37/44/33/642374433.db2.gz ZDBIUJBBWINZFJ-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CCOC ZINC000919674531 642374440 /nfs/dbraw/zinc/37/44/40/642374440.db2.gz ZDBIUJBBWINZFJ-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000155064898 642378850 /nfs/dbraw/zinc/37/88/50/642378850.db2.gz BDTIKYPSSWWSPX-UWVGGRQHSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000155064898 642378858 /nfs/dbraw/zinc/37/88/58/642378858.db2.gz BDTIKYPSSWWSPX-UWVGGRQHSA-N 1 2 241.287 0.577 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919981495 642417811 /nfs/dbraw/zinc/41/78/11/642417811.db2.gz MVIHOKNMHDBOHF-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919981495 642417816 /nfs/dbraw/zinc/41/78/16/642417816.db2.gz MVIHOKNMHDBOHF-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)OC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919989123 642420343 /nfs/dbraw/zinc/42/03/43/642420343.db2.gz ISBNFSTZINMORB-QWRGUYRKSA-N 1 2 243.351 0.755 20 0 BCADLO CC(C)OC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919989123 642420347 /nfs/dbraw/zinc/42/03/47/642420347.db2.gz ISBNFSTZINMORB-QWRGUYRKSA-N 1 2 243.351 0.755 20 0 BCADLO CCOC(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933253111 642421763 /nfs/dbraw/zinc/42/17/63/642421763.db2.gz BXJCYQQZQTWYSG-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(=O)NC)C2 ZINC000933254593 642426668 /nfs/dbraw/zinc/42/66/68/642426668.db2.gz CXPBFZMXEUMROJ-UHFFFAOYSA-N 1 2 222.292 0.007 20 0 BCADLO c1cn(CCSc2nnc3[nH]cnn32)c[nH+]1 ZINC000920161068 642442092 /nfs/dbraw/zinc/44/20/92/642442092.db2.gz COCCWYAWKRDLJA-UHFFFAOYSA-N 1 2 235.276 0.441 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ncc[nH]1 ZINC001031658770 642493783 /nfs/dbraw/zinc/49/37/83/642493783.db2.gz WKYOKWBUTAKJIH-UHFFFAOYSA-N 1 2 226.255 0.041 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1 ZINC000921412800 642613939 /nfs/dbraw/zinc/61/39/39/642613939.db2.gz VXMDCENAJVIDNB-QMMMGPOBSA-N 1 2 246.357 0.731 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1 ZINC000921412800 642613953 /nfs/dbraw/zinc/61/39/53/642613953.db2.gz VXMDCENAJVIDNB-QMMMGPOBSA-N 1 2 246.357 0.731 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)OCCF ZINC000921432998 642624424 /nfs/dbraw/zinc/62/44/24/642624424.db2.gz GGFIDUVVZIGXLR-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO CCn1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)n1 ZINC001009803832 642837409 /nfs/dbraw/zinc/83/74/09/642837409.db2.gz PXPLSYGRFAKMIA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)n1 ZINC001009803832 642837411 /nfs/dbraw/zinc/83/74/11/642837411.db2.gz PXPLSYGRFAKMIA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cnccn1 ZINC001009973331 642848193 /nfs/dbraw/zinc/84/81/93/642848193.db2.gz ZJYWKLDWBJADSV-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cnccn1 ZINC001009973331 642848196 /nfs/dbraw/zinc/84/81/96/642848196.db2.gz ZJYWKLDWBJADSV-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)[nH]n1 ZINC001010343440 642861100 /nfs/dbraw/zinc/86/11/00/642861100.db2.gz VTQYJOYAQDOCLO-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)[nH]n1 ZINC001010343440 642861104 /nfs/dbraw/zinc/86/11/04/642861104.db2.gz VTQYJOYAQDOCLO-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)OCC(C)C ZINC000181434666 642872105 /nfs/dbraw/zinc/87/21/05/642872105.db2.gz BWLISRBOFGPDMY-SNVBAGLBSA-N 1 2 245.319 0.927 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)OCC(C)C ZINC000181434666 642872110 /nfs/dbraw/zinc/87/21/10/642872110.db2.gz BWLISRBOFGPDMY-SNVBAGLBSA-N 1 2 245.319 0.927 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1CC1 ZINC000181634210 642888615 /nfs/dbraw/zinc/88/86/15/642888615.db2.gz DNNNVPFSORRQOR-VIFPVBQESA-N 1 2 213.277 0.660 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001014366301 642888841 /nfs/dbraw/zinc/88/88/41/642888841.db2.gz BEGLTVLPQBIRFR-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001014366301 642888846 /nfs/dbraw/zinc/88/88/46/642888846.db2.gz BEGLTVLPQBIRFR-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO CO[C@@H](C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181657585 642891523 /nfs/dbraw/zinc/89/15/23/642891523.db2.gz NYVYVVYXFKOEDJ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCF)C2)O1 ZINC001015729106 642924118 /nfs/dbraw/zinc/92/41/18/642924118.db2.gz OHCJSKJQRTVUON-GMTAPVOTSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCF)C2)O1 ZINC001015729106 642924134 /nfs/dbraw/zinc/92/41/34/642924134.db2.gz OHCJSKJQRTVUON-GMTAPVOTSA-N 1 2 244.310 0.714 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001015870897 642935235 /nfs/dbraw/zinc/93/52/35/642935235.db2.gz CHBKARPXBXMEJB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001015870897 642935240 /nfs/dbraw/zinc/93/52/40/642935240.db2.gz CHBKARPXBXMEJB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015937581 642943303 /nfs/dbraw/zinc/94/33/03/642943303.db2.gz FDYUTLXQMQJJKF-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015937581 642943309 /nfs/dbraw/zinc/94/33/09/642943309.db2.gz FDYUTLXQMQJJKF-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)CC1OCCO1 ZINC000182070828 642950492 /nfs/dbraw/zinc/95/04/92/642950492.db2.gz QXGIZDGTEWQQQY-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)CC1OCCO1 ZINC000182070828 642950499 /nfs/dbraw/zinc/95/04/99/642950499.db2.gz QXGIZDGTEWQQQY-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO C[C@@H]1C[N@H+](CN2CC(=O)N(C)C2=O)CCS1 ZINC000182278367 642986311 /nfs/dbraw/zinc/98/63/11/642986311.db2.gz WSSWAIONHWNDKC-MRVPVSSYSA-N 1 2 243.332 0.275 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CC(=O)N(C)C2=O)CCS1 ZINC000182278367 642986320 /nfs/dbraw/zinc/98/63/20/642986320.db2.gz WSSWAIONHWNDKC-MRVPVSSYSA-N 1 2 243.332 0.275 20 0 BCADLO CC(C)CCOC(=O)N1CC[NH+](CCO)CC1 ZINC000243292722 643014247 /nfs/dbraw/zinc/01/42/47/643014247.db2.gz LEFNXACJJOBSDP-UHFFFAOYSA-N 1 2 244.335 0.779 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000286214990 643115633 /nfs/dbraw/zinc/11/56/33/643115633.db2.gz SEAOZOFFCXMIOI-NTSWFWBYSA-N 1 2 223.198 0.984 20 0 BCADLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010461514 643119314 /nfs/dbraw/zinc/11/93/14/643119314.db2.gz JHEPYCGIQQQHNG-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010461514 643119319 /nfs/dbraw/zinc/11/93/19/643119319.db2.gz JHEPYCGIQQQHNG-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010461507 643119482 /nfs/dbraw/zinc/11/94/82/643119482.db2.gz JHEPYCGIQQQHNG-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010461507 643119486 /nfs/dbraw/zinc/11/94/86/643119486.db2.gz JHEPYCGIQQQHNG-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)C[C@H]1C ZINC000941701073 643120131 /nfs/dbraw/zinc/12/01/31/643120131.db2.gz XXGDDRASPYPPIO-KCJUWKMLSA-N 1 2 238.291 0.416 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)C[C@H]1C ZINC000941701073 643120138 /nfs/dbraw/zinc/12/01/38/643120138.db2.gz XXGDDRASPYPPIO-KCJUWKMLSA-N 1 2 238.291 0.416 20 0 BCADLO C[C@H](NC(=O)c1ccon1)C1C[NH+](CCF)C1 ZINC000969350440 643149637 /nfs/dbraw/zinc/14/96/37/643149637.db2.gz ANFVLYHUEQIPGF-QMMMGPOBSA-N 1 2 241.266 0.694 20 0 BCADLO Cc1nn(C)c(Cl)c1C[NH2+]C1(C(N)=O)CC1 ZINC000183842739 643173736 /nfs/dbraw/zinc/17/37/36/643173736.db2.gz COLQREBPXHZGCU-UHFFFAOYSA-N 1 2 242.710 0.489 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC12CC2 ZINC001032006655 643180983 /nfs/dbraw/zinc/18/09/83/643180983.db2.gz JGMXVSQOUSHEOL-JTQLQIEISA-N 1 2 226.295 0.804 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032240294 643392116 /nfs/dbraw/zinc/39/21/16/643392116.db2.gz LYIPMHMVQGVQAS-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032240294 643392120 /nfs/dbraw/zinc/39/21/20/643392120.db2.gz LYIPMHMVQGVQAS-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC000926054151 643450371 /nfs/dbraw/zinc/45/03/71/643450371.db2.gz KGUFEZNMGTWTIO-OAHLLOKOSA-N 1 2 229.305 0.985 20 0 BCADLO CN(C(=O)[C@@H]1CSC[NH2+]1)c1cn[nH]c1 ZINC000307371994 643456855 /nfs/dbraw/zinc/45/68/55/643456855.db2.gz UQFPTRIILRLSJD-ZETCQYMHSA-N 1 2 212.278 0.035 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(=O)n1C ZINC000844699667 643471814 /nfs/dbraw/zinc/47/18/14/643471814.db2.gz VLYYQBADBIKZLZ-NXEZZACHSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(=O)n1C ZINC000844699667 643471818 /nfs/dbraw/zinc/47/18/18/643471818.db2.gz VLYYQBADBIKZLZ-NXEZZACHSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000734485899 643498815 /nfs/dbraw/zinc/49/88/15/643498815.db2.gz ULDZHZUNSGJCPF-SNVBAGLBSA-N 1 2 241.291 0.351 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000734485899 643498821 /nfs/dbraw/zinc/49/88/21/643498821.db2.gz ULDZHZUNSGJCPF-SNVBAGLBSA-N 1 2 241.291 0.351 20 0 BCADLO Cc1ccccc1CC(N)=[NH+]O[C@H]1CCNC1=O ZINC000769878793 643523220 /nfs/dbraw/zinc/52/32/20/643523220.db2.gz QETJLQVMFCSQHY-NSHDSACASA-N 1 2 247.298 0.924 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000735363926 643539278 /nfs/dbraw/zinc/53/92/78/643539278.db2.gz UXLOGOPFVSPKQA-SECBINFHSA-N 1 2 238.291 0.390 20 0 BCADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000735363926 643539286 /nfs/dbraw/zinc/53/92/86/643539286.db2.gz UXLOGOPFVSPKQA-SECBINFHSA-N 1 2 238.291 0.390 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000735363926 643539293 /nfs/dbraw/zinc/53/92/93/643539293.db2.gz UXLOGOPFVSPKQA-SECBINFHSA-N 1 2 238.291 0.390 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000735363926 643539298 /nfs/dbraw/zinc/53/92/98/643539298.db2.gz UXLOGOPFVSPKQA-SECBINFHSA-N 1 2 238.291 0.390 20 0 BCADLO CC[NH2+]Cc1noc(C[C@H]2CCCO2)n1 ZINC000083525227 643585536 /nfs/dbraw/zinc/58/55/36/643585536.db2.gz JBLFYUMHTSLKSC-MRVPVSSYSA-N 1 2 211.265 0.901 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000307719393 643594592 /nfs/dbraw/zinc/59/45/92/643594592.db2.gz NARPHGGKKAHVBV-RMKMGNDCSA-N 1 2 224.713 0.102 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000307719393 643594595 /nfs/dbraw/zinc/59/45/95/643594595.db2.gz NARPHGGKKAHVBV-RMKMGNDCSA-N 1 2 224.713 0.102 20 0 BCADLO CCOC(=O)[C@H](C)NCc1c[nH+]cn1C ZINC000085169432 643689674 /nfs/dbraw/zinc/68/96/74/643689674.db2.gz OSWKNGOCHVPTBL-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO Cn1nc2c(c1C[NH2+]Cc1cc[nH]n1)CCC2 ZINC000921705081 643758178 /nfs/dbraw/zinc/75/81/78/643758178.db2.gz QWAWGLVDMRESJK-UHFFFAOYSA-N 1 2 231.303 0.922 20 0 BCADLO CC(=O)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001000345851 643778238 /nfs/dbraw/zinc/77/82/38/643778238.db2.gz OVTXDODQJXCIEU-UHFFFAOYSA-N 1 2 235.287 0.943 20 0 BCADLO CC(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001000345851 643778242 /nfs/dbraw/zinc/77/82/42/643778242.db2.gz OVTXDODQJXCIEU-UHFFFAOYSA-N 1 2 235.287 0.943 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000922012806 643845170 /nfs/dbraw/zinc/84/51/70/643845170.db2.gz XXZDFFPNVKVQLS-RKDXNWHRSA-N 1 2 223.276 0.324 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=C[C@H]1CO ZINC000922281227 643951277 /nfs/dbraw/zinc/95/12/77/643951277.db2.gz SXABXJFTRYFZAK-JQWIXIFHSA-N 1 2 247.298 0.205 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C)C(OC)OC)n1 ZINC000922313559 643968412 /nfs/dbraw/zinc/96/84/12/643968412.db2.gz NRTORFYUWCVJCY-MRVPVSSYSA-N 1 2 228.296 0.395 20 0 BCADLO CC(=O)N(C)CC(=O)OCc1ccc[nH+]c1N ZINC000922324286 643969268 /nfs/dbraw/zinc/96/92/68/643969268.db2.gz MDWUKLHNDMTKHO-UHFFFAOYSA-N 1 2 237.259 0.185 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2COCCO2)c[nH+]1 ZINC000922334257 643972785 /nfs/dbraw/zinc/97/27/85/643972785.db2.gz HPAYZCKNTIHMIY-SECBINFHSA-N 1 2 238.243 0.122 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCC(=O)NC2)c[nH+]1 ZINC000922358763 643979579 /nfs/dbraw/zinc/97/95/79/643979579.db2.gz ZKWJYSADLXMIFE-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO COCCOCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922353081 643980441 /nfs/dbraw/zinc/98/04/41/643980441.db2.gz PLGQBIKPIYUQNB-UHFFFAOYSA-N 1 2 240.259 0.370 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC1CSC1 ZINC000922514997 644011134 /nfs/dbraw/zinc/01/11/34/644011134.db2.gz SLLFNDPWVQKQOX-UHFFFAOYSA-N 1 2 240.332 0.582 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCC(=O)O2)c[nH+]1 ZINC000922541992 644019677 /nfs/dbraw/zinc/01/96/77/644019677.db2.gz NRLSRUPGDURHRG-MRVPVSSYSA-N 1 2 236.227 0.413 20 0 BCADLO CN1C(=O)CC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922601828 644039302 /nfs/dbraw/zinc/03/93/02/644039302.db2.gz CYNAYIJPFKDKAT-VIFPVBQESA-N 1 2 249.270 0.328 20 0 BCADLO CC1(C(=O)OCc2ccc[nH+]c2N)COC1 ZINC000922598693 644039484 /nfs/dbraw/zinc/03/94/84/644039484.db2.gz GGHUHLKZKQZUAB-UHFFFAOYSA-N 1 2 222.244 0.744 20 0 BCADLO CCNC(=O)CC(=O)OCc1ccc[nH+]c1N ZINC000922630104 644046341 /nfs/dbraw/zinc/04/63/41/644046341.db2.gz ZWWVMZPABQOFJW-UHFFFAOYSA-N 1 2 237.259 0.233 20 0 BCADLO CN1C(=O)CC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922667494 644063963 /nfs/dbraw/zinc/06/39/63/644063963.db2.gz NOLFUMBYVIDAHQ-SECBINFHSA-N 1 2 249.270 0.328 20 0 BCADLO Cc1ccn(CC(=O)OCc2ccc(N)[nH+]c2)n1 ZINC000922767010 644090725 /nfs/dbraw/zinc/09/07/25/644090725.db2.gz AEVRUCFKQRBPJA-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO C[N@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000192564345 644165980 /nfs/dbraw/zinc/16/59/80/644165980.db2.gz YOMWRBXMVWMTSQ-GFCCVEGCSA-N 1 2 237.303 0.759 20 0 BCADLO C[N@@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000192564345 644165982 /nfs/dbraw/zinc/16/59/82/644165982.db2.gz YOMWRBXMVWMTSQ-GFCCVEGCSA-N 1 2 237.303 0.759 20 0 BCADLO C[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CCC(=O)N1 ZINC000922925647 644188939 /nfs/dbraw/zinc/18/89/39/644188939.db2.gz MNEILXDBYVFUDY-LBPRGKRZSA-N 1 2 249.270 0.376 20 0 BCADLO CC[C@@H]([NH2+]CCC1(C)OCCO1)C(=O)OC ZINC000192864241 644192002 /nfs/dbraw/zinc/19/20/02/644192002.db2.gz QDIZCAOGOURLMV-SECBINFHSA-N 1 2 231.292 0.681 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000923005844 644224901 /nfs/dbraw/zinc/22/49/01/644224901.db2.gz VUIMLWUSKNGNDQ-KYZUINATSA-N 1 2 239.323 0.289 20 0 BCADLO C[N@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000193591046 644256452 /nfs/dbraw/zinc/25/64/52/644256452.db2.gz JSTQCFYUERDQCD-GHMZBOCLSA-N 1 2 245.344 0.798 20 0 BCADLO C[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000193591046 644256459 /nfs/dbraw/zinc/25/64/59/644256459.db2.gz JSTQCFYUERDQCD-GHMZBOCLSA-N 1 2 245.344 0.798 20 0 BCADLO C[N@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000193591024 644257563 /nfs/dbraw/zinc/25/75/63/644257563.db2.gz JSTQCFYUERDQCD-MNOVXSKESA-N 1 2 245.344 0.798 20 0 BCADLO C[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000193591024 644257567 /nfs/dbraw/zinc/25/75/67/644257567.db2.gz JSTQCFYUERDQCD-MNOVXSKESA-N 1 2 245.344 0.798 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nc3cnccn3c2=O)[C@H]1C ZINC000245583277 644531748 /nfs/dbraw/zinc/53/17/48/644531748.db2.gz DEIVKUHXONCRFM-UWVGGRQHSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)[C@H]1C ZINC000245583277 644531754 /nfs/dbraw/zinc/53/17/54/644531754.db2.gz DEIVKUHXONCRFM-UWVGGRQHSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc3cnccn3c2=O)[C@H]1C ZINC000245583281 644532223 /nfs/dbraw/zinc/53/22/23/644532223.db2.gz DEIVKUHXONCRFM-ZJUUUORDSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)[C@H]1C ZINC000245583281 644532224 /nfs/dbraw/zinc/53/22/24/644532224.db2.gz DEIVKUHXONCRFM-ZJUUUORDSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000245747091 644538517 /nfs/dbraw/zinc/53/85/17/644538517.db2.gz NBDQHFHMIYMTGV-VHSXEESVSA-N 1 2 224.308 0.517 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000245747091 644538521 /nfs/dbraw/zinc/53/85/21/644538521.db2.gz NBDQHFHMIYMTGV-VHSXEESVSA-N 1 2 224.308 0.517 20 0 BCADLO COCCO[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000245990344 644558696 /nfs/dbraw/zinc/55/86/96/644558696.db2.gz WUVFMMFJSUQMDW-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COCCO[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000245990344 644558699 /nfs/dbraw/zinc/55/86/99/644558699.db2.gz WUVFMMFJSUQMDW-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CC(C)C1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000089661680 644559458 /nfs/dbraw/zinc/55/94/58/644559458.db2.gz FOVGNTNWKWEJDA-UHFFFAOYSA-N 1 2 237.303 0.503 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000091577740 644631278 /nfs/dbraw/zinc/63/12/78/644631278.db2.gz DGGQRRDAMSOFAD-LLVKDONJSA-N 1 2 244.335 0.753 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000091577740 644631283 /nfs/dbraw/zinc/63/12/83/644631283.db2.gz DGGQRRDAMSOFAD-LLVKDONJSA-N 1 2 244.335 0.753 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000247304040 644631753 /nfs/dbraw/zinc/63/17/53/644631753.db2.gz VMHNVOZPNOIBTD-DTWKUNHWSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000247304040 644631758 /nfs/dbraw/zinc/63/17/58/644631758.db2.gz VMHNVOZPNOIBTD-DTWKUNHWSA-N 1 2 201.266 0.469 20 0 BCADLO Cn1c[nH+]cc1CN1CC(n2ccnn2)C1 ZINC000956939734 644669347 /nfs/dbraw/zinc/66/93/47/644669347.db2.gz ZHBQDIFDAVEAKO-UHFFFAOYSA-N 1 2 218.264 0.069 20 0 BCADLO O=C1C[N@H+](Cc2cnn3ccccc23)CCCN1 ZINC000769113106 644679006 /nfs/dbraw/zinc/67/90/06/644679006.db2.gz AQYKDJRJFZEBPA-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1C[N@@H+](Cc2cnn3ccccc23)CCCN1 ZINC000769113106 644679011 /nfs/dbraw/zinc/67/90/11/644679011.db2.gz AQYKDJRJFZEBPA-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCCNC(=O)C1 ZINC000769115029 644679055 /nfs/dbraw/zinc/67/90/55/644679055.db2.gz MSNLOXVRSIYJJQ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO Cc1ccoc1C[N@H+]1CCCNC(=O)C1 ZINC000769115029 644679059 /nfs/dbraw/zinc/67/90/59/644679059.db2.gz MSNLOXVRSIYJJQ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO CN(C)c1ccc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000769113318 644679495 /nfs/dbraw/zinc/67/94/95/644679495.db2.gz CZSROOVXKROFLH-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO CN(C)c1ccc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000769113318 644679500 /nfs/dbraw/zinc/67/95/00/644679500.db2.gz CZSROOVXKROFLH-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO COCC[N@H+](Cc1ccoc1)[C@@H](C)C(N)=O ZINC000093139241 644680261 /nfs/dbraw/zinc/68/02/61/644680261.db2.gz QLZDLOQNQPJLKM-VIFPVBQESA-N 1 2 226.276 0.602 20 0 BCADLO COCC[N@@H+](Cc1ccoc1)[C@@H](C)C(N)=O ZINC000093139241 644680266 /nfs/dbraw/zinc/68/02/66/644680266.db2.gz QLZDLOQNQPJLKM-VIFPVBQESA-N 1 2 226.276 0.602 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)nc1 ZINC000782603802 644741961 /nfs/dbraw/zinc/74/19/61/644741961.db2.gz ITZDNFRKSUONQL-PWSUYJOCSA-N 1 2 219.288 0.599 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)nc1 ZINC000782603802 644741970 /nfs/dbraw/zinc/74/19/70/644741970.db2.gz ITZDNFRKSUONQL-PWSUYJOCSA-N 1 2 219.288 0.599 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cnn(C)c1 ZINC000782597639 644742283 /nfs/dbraw/zinc/74/22/83/644742283.db2.gz YQRBGQVRGISKBJ-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cnn(C)c1 ZINC000782597639 644742289 /nfs/dbraw/zinc/74/22/89/644742289.db2.gz YQRBGQVRGISKBJ-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO COCCOCC(=O)OCCCn1cc[nH+]c1 ZINC000782988169 644749188 /nfs/dbraw/zinc/74/91/88/644749188.db2.gz UDJZTKZKGVWSTI-UHFFFAOYSA-N 1 2 242.275 0.479 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC000957967430 644763092 /nfs/dbraw/zinc/76/30/92/644763092.db2.gz HDQKDFDITGXIBH-PJXYFTJBSA-N 1 2 249.314 0.939 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC000957967430 644763099 /nfs/dbraw/zinc/76/30/99/644763099.db2.gz HDQKDFDITGXIBH-PJXYFTJBSA-N 1 2 249.314 0.939 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC000957967926 644763157 /nfs/dbraw/zinc/76/31/57/644763157.db2.gz SSHVSCQIOJGHGB-IWIIMEHWSA-N 1 2 248.330 0.377 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC000957967926 644763161 /nfs/dbraw/zinc/76/31/61/644763161.db2.gz SSHVSCQIOJGHGB-IWIIMEHWSA-N 1 2 248.330 0.377 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)CCn1ccnn1 ZINC000793241405 644802150 /nfs/dbraw/zinc/80/21/50/644802150.db2.gz KXTPWEXNRWAOPT-UHFFFAOYSA-N 1 2 249.274 0.188 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1cccc(F)n1 ZINC000807131211 644858832 /nfs/dbraw/zinc/85/88/32/644858832.db2.gz RQMRWJHFWCTGSS-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084096 644859010 /nfs/dbraw/zinc/85/90/10/644859010.db2.gz PYBSMSAASDOVDD-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084096 644859014 /nfs/dbraw/zinc/85/90/14/644859014.db2.gz PYBSMSAASDOVDD-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO CC(F)(F)C(=O)NCC[NH+]1CCSCC1 ZINC000808463454 644882261 /nfs/dbraw/zinc/88/22/61/644882261.db2.gz IHWZSVHTDPWJFL-UHFFFAOYSA-N 1 2 238.303 0.807 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1Cc2ccncc2C1 ZINC000809563856 644891780 /nfs/dbraw/zinc/89/17/80/644891780.db2.gz TZLQDJWHWKSYBV-ZDUSSCGKSA-N 1 2 244.298 0.655 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1Cc2ccncc2C1 ZINC000809563856 644891783 /nfs/dbraw/zinc/89/17/83/644891783.db2.gz TZLQDJWHWKSYBV-ZDUSSCGKSA-N 1 2 244.298 0.655 20 0 BCADLO O=C(N[C@@H]1COC[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC000821807783 645037335 /nfs/dbraw/zinc/03/73/35/645037335.db2.gz AXWUVDUZZITZNJ-GHMZBOCLSA-N 1 2 247.254 0.052 20 0 BCADLO CC1=NO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000827124594 645073517 /nfs/dbraw/zinc/07/35/17/645073517.db2.gz CJEPLTCARZHOCL-MRVPVSSYSA-N 1 2 222.248 0.233 20 0 BCADLO CC(C)(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828083938 645095550 /nfs/dbraw/zinc/09/55/50/645095550.db2.gz VRFIHHRPPFUVKO-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CCO)c1ccco1 ZINC000832297087 645133525 /nfs/dbraw/zinc/13/35/25/645133525.db2.gz PULYLURJYLMTER-VIFPVBQESA-N 1 2 249.270 0.785 20 0 BCADLO CCN1C[C@H]([NH2+][C@H]2C[C@H](C)n3ncnc32)CC1=O ZINC000926524359 645255078 /nfs/dbraw/zinc/25/50/78/645255078.db2.gz DRBJXOQZZDHUML-AEJSXWLSSA-N 1 2 249.318 0.494 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)c1ncco1)C(=O)NC ZINC000926548802 645270275 /nfs/dbraw/zinc/27/02/75/645270275.db2.gz CRDQGZILIOXPQS-HTQZYQBOSA-N 1 2 211.265 0.850 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(CO)on1 ZINC000926577468 645294863 /nfs/dbraw/zinc/29/48/63/645294863.db2.gz YPBDDFJTGBKGNS-PPKCKEKNSA-N 1 2 242.275 0.231 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@H](C)c2cnn(C)n2)C1 ZINC000926593610 645295304 /nfs/dbraw/zinc/29/53/04/645295304.db2.gz CSMMHUCDLGXZCX-NXEZZACHSA-N 1 2 223.324 0.560 20 0 BCADLO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ncco1 ZINC000926615737 645316691 /nfs/dbraw/zinc/31/66/91/645316691.db2.gz NJWWEDYVHNAGFW-YUMQZZPRSA-N 1 2 237.259 0.473 20 0 BCADLO CNC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844369622 645322421 /nfs/dbraw/zinc/32/24/21/645322421.db2.gz ZDCDWNTWTSDWGS-QMMMGPOBSA-N 1 2 225.248 0.123 20 0 BCADLO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCNC2=O)nn1 ZINC000926671541 645347346 /nfs/dbraw/zinc/34/73/46/645347346.db2.gz IWDOGQISLPLJBE-BDAKNGLRSA-N 1 2 237.307 0.398 20 0 BCADLO CC[C@H]1COC[C@H]1[NH2+]Cc1nc(COC)n[nH]1 ZINC000926693155 645361965 /nfs/dbraw/zinc/36/19/65/645361965.db2.gz JOZDFXPSCYKKEF-DTWKUNHWSA-N 1 2 240.307 0.466 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)n1 ZINC000926693230 645363458 /nfs/dbraw/zinc/36/34/58/645363458.db2.gz KVOXQWJOUCCHPB-IWSPIJDZSA-N 1 2 240.307 0.464 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)n1 ZINC000926693229 645363681 /nfs/dbraw/zinc/36/36/81/645363681.db2.gz KVOXQWJOUCCHPB-HRDYMLBCSA-N 1 2 240.307 0.464 20 0 BCADLO CON1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000846970157 645408896 /nfs/dbraw/zinc/40/88/96/645408896.db2.gz BIKNZZNYKXMXGU-UHFFFAOYSA-N 1 2 225.292 0.970 20 0 BCADLO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ncco1 ZINC000926767245 645413568 /nfs/dbraw/zinc/41/35/68/645413568.db2.gz LVFKXDFJMSABKU-NXEZZACHSA-N 1 2 225.292 0.392 20 0 BCADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000926779006 645425637 /nfs/dbraw/zinc/42/56/37/645425637.db2.gz OBDBAWITQJMGPN-IEBDPFPHSA-N 1 2 240.307 0.269 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2COC[C@@H]2C)n1 ZINC000926878231 645472229 /nfs/dbraw/zinc/47/22/29/645472229.db2.gz PTGCJFNBJYRPFC-JGVFFNPUSA-N 1 2 242.348 0.792 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000852494702 645484111 /nfs/dbraw/zinc/48/41/11/645484111.db2.gz FDUJIXIJEJCUKA-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000852494702 645484123 /nfs/dbraw/zinc/48/41/23/645484123.db2.gz FDUJIXIJEJCUKA-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COc1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000115404363 645642621 /nfs/dbraw/zinc/64/26/21/645642621.db2.gz QUIGTAHHWXZZLS-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COc1ccc(C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000115404363 645642630 /nfs/dbraw/zinc/64/26/30/645642630.db2.gz QUIGTAHHWXZZLS-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COC(=O)/C(C)=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC000927974788 645668060 /nfs/dbraw/zinc/66/80/60/645668060.db2.gz MUVNHRDBMXCGJI-FPYGCLRLSA-N 1 2 237.259 0.188 20 0 BCADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000928536613 645795188 /nfs/dbraw/zinc/79/51/88/645795188.db2.gz YAISJRGHBHUNQC-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000930141710 645873843 /nfs/dbraw/zinc/87/38/43/645873843.db2.gz CDAHCBLAUXDKOE-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000930141710 645873846 /nfs/dbraw/zinc/87/38/46/645873846.db2.gz CDAHCBLAUXDKOE-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000930141709 645873863 /nfs/dbraw/zinc/87/38/63/645873863.db2.gz CDAHCBLAUXDKOE-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO CON1CC[C@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000930141709 645873869 /nfs/dbraw/zinc/87/38/69/645873869.db2.gz CDAHCBLAUXDKOE-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC[C@H]1C ZINC000928908872 645888908 /nfs/dbraw/zinc/88/89/08/645888908.db2.gz JDZAWQFGECKPPH-GMSGAONNSA-N 1 2 223.276 0.412 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ncn(C)n2)C1 ZINC000886559938 645889223 /nfs/dbraw/zinc/88/92/23/645889223.db2.gz JLSLCHLVVRPVFU-DTWKUNHWSA-N 1 2 238.291 0.246 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944671 645892215 /nfs/dbraw/zinc/89/22/15/645892215.db2.gz UNLZLBXZGVEOKB-AXFHLTTASA-N 1 2 245.319 0.458 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886944673 645892616 /nfs/dbraw/zinc/89/26/16/645892616.db2.gz UNLZLBXZGVEOKB-GARJFASQSA-N 1 2 245.319 0.458 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000928921338 645895817 /nfs/dbraw/zinc/89/58/17/645895817.db2.gz XFDKIGKLIQMPGW-TURQNECASA-N 1 2 235.287 0.664 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000928921338 645895820 /nfs/dbraw/zinc/89/58/20/645895820.db2.gz XFDKIGKLIQMPGW-TURQNECASA-N 1 2 235.287 0.664 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)CCC1(O)CCC1 ZINC000929176827 645988463 /nfs/dbraw/zinc/98/84/63/645988463.db2.gz KAYMIUWNWODOOQ-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)CCC1(O)CCC1 ZINC000929176827 645988467 /nfs/dbraw/zinc/98/84/67/645988467.db2.gz KAYMIUWNWODOOQ-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000929176886 645988494 /nfs/dbraw/zinc/98/84/94/645988494.db2.gz LMLJKBKCUCVZAW-SECBINFHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000929176886 645988498 /nfs/dbraw/zinc/98/84/98/645988498.db2.gz LMLJKBKCUCVZAW-SECBINFHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000929231239 646025014 /nfs/dbraw/zinc/02/50/14/646025014.db2.gz GZIKWVVIDBUZRY-UJICNMFASA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000929231239 646025017 /nfs/dbraw/zinc/02/50/17/646025017.db2.gz GZIKWVVIDBUZRY-UJICNMFASA-N 1 2 240.303 0.446 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000035179235 646036299 /nfs/dbraw/zinc/03/62/99/646036299.db2.gz YTTWBZNMUVLGEV-SECBINFHSA-N 1 2 219.306 0.084 20 0 BCADLO CC(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000035179235 646036304 /nfs/dbraw/zinc/03/63/04/646036304.db2.gz YTTWBZNMUVLGEV-SECBINFHSA-N 1 2 219.306 0.084 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000035179237 646037273 /nfs/dbraw/zinc/03/72/73/646037273.db2.gz YTTWBZNMUVLGEV-VIFPVBQESA-N 1 2 219.306 0.084 20 0 BCADLO CC(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000035179237 646037276 /nfs/dbraw/zinc/03/72/76/646037276.db2.gz YTTWBZNMUVLGEV-VIFPVBQESA-N 1 2 219.306 0.084 20 0 BCADLO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ncco1 ZINC000924555434 646065762 /nfs/dbraw/zinc/06/57/62/646065762.db2.gz WFOPSNASYYMXMJ-MRVPVSSYSA-N 1 2 223.276 0.851 20 0 BCADLO C[N@@H+](Cc1cscn1)C[C@H](O)C1(O)CCC1 ZINC000929344101 646087652 /nfs/dbraw/zinc/08/76/52/646087652.db2.gz PGDNWSHDYBRYIA-JTQLQIEISA-N 1 2 242.344 0.851 20 0 BCADLO C[N@H+](Cc1cscn1)C[C@H](O)C1(O)CCC1 ZINC000929344101 646087655 /nfs/dbraw/zinc/08/76/55/646087655.db2.gz PGDNWSHDYBRYIA-JTQLQIEISA-N 1 2 242.344 0.851 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCc1nnc(C)o1 ZINC000929520352 646171205 /nfs/dbraw/zinc/17/12/05/646171205.db2.gz BLBGVVARZVURIZ-SECBINFHSA-N 1 2 239.275 0.558 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1nnc(C)o1 ZINC000929520352 646171203 /nfs/dbraw/zinc/17/12/03/646171203.db2.gz BLBGVVARZVURIZ-SECBINFHSA-N 1 2 239.275 0.558 20 0 BCADLO COC/C(C)=C\C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000929604895 646195438 /nfs/dbraw/zinc/19/54/38/646195438.db2.gz VDIKRFSXSNKGAV-BMMYIHMSSA-N 1 2 243.303 0.187 20 0 BCADLO COC/C(C)=C\C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000929604895 646195441 /nfs/dbraw/zinc/19/54/41/646195441.db2.gz VDIKRFSXSNKGAV-BMMYIHMSSA-N 1 2 243.303 0.187 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(OC)C2=O)C[C@@H](C)O1 ZINC000929620696 646207202 /nfs/dbraw/zinc/20/72/02/646207202.db2.gz UZJFIMGQDRYDIQ-MXWKQRLJSA-N 1 2 242.319 0.648 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCN(OC)C2=O)C[C@@H](C)O1 ZINC000929620696 646207207 /nfs/dbraw/zinc/20/72/07/646207207.db2.gz UZJFIMGQDRYDIQ-MXWKQRLJSA-N 1 2 242.319 0.648 20 0 BCADLO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)on1 ZINC000925499202 646303266 /nfs/dbraw/zinc/30/32/66/646303266.db2.gz MXYHBVMOMDEURP-JGVFFNPUSA-N 1 2 241.291 0.811 20 0 BCADLO CCc1cnc(C[N@H+](C)C[C@@H](O)[C@@H](C)O)s1 ZINC000929773848 646303470 /nfs/dbraw/zinc/30/34/70/646303470.db2.gz JLFRAJUMMCPXCL-PSASIEDQSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)[C@@H](C)O)s1 ZINC000929773848 646303474 /nfs/dbraw/zinc/30/34/74/646303474.db2.gz JLFRAJUMMCPXCL-PSASIEDQSA-N 1 2 244.360 0.879 20 0 BCADLO COC(=O)N1CC([NH2+][C@H](C)c2cn(C)cn2)C1 ZINC000925570375 646340410 /nfs/dbraw/zinc/34/04/10/646340410.db2.gz WOJZPUPKJGXQHE-MRVPVSSYSA-N 1 2 238.291 0.521 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833550 646348534 /nfs/dbraw/zinc/34/85/34/646348534.db2.gz KFZYFHZAGQZJNP-NXEZZACHSA-N 1 2 243.328 0.475 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833550 646348539 /nfs/dbraw/zinc/34/85/39/646348539.db2.gz KFZYFHZAGQZJNP-NXEZZACHSA-N 1 2 243.328 0.475 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000929836727 646352013 /nfs/dbraw/zinc/35/20/13/646352013.db2.gz RNPSWNHRDIQCTE-LPEHRKFASA-N 1 2 233.308 0.000 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000929836727 646352019 /nfs/dbraw/zinc/35/20/19/646352019.db2.gz RNPSWNHRDIQCTE-LPEHRKFASA-N 1 2 233.308 0.000 20 0 BCADLO Cc1nonc1[C@H](C)NCC[NH+]1CCC1 ZINC000925604649 646355559 /nfs/dbraw/zinc/35/55/59/646355559.db2.gz MNWUYDKZXFIRSC-QMMMGPOBSA-N 1 2 210.281 0.734 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000929851195 646360725 /nfs/dbraw/zinc/36/07/25/646360725.db2.gz BLINLOMGHKZTRO-SECBINFHSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000929851195 646360729 /nfs/dbraw/zinc/36/07/29/646360729.db2.gz BLINLOMGHKZTRO-SECBINFHSA-N 1 2 243.253 0.676 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1nnc(C)o1 ZINC000929973712 646381628 /nfs/dbraw/zinc/38/16/28/646381628.db2.gz LGIGGJONWHDTKB-QMMMGPOBSA-N 1 2 241.291 0.804 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1nnc(C)o1 ZINC000929973712 646381632 /nfs/dbraw/zinc/38/16/32/646381632.db2.gz LGIGGJONWHDTKB-QMMMGPOBSA-N 1 2 241.291 0.804 20 0 BCADLO CNC(=O)N1CC[NH+](C/C=C(/C)COC)CC1 ZINC000930012321 646394611 /nfs/dbraw/zinc/39/46/11/646394611.db2.gz HXDDZCNOVNMDNQ-WCIBSUBMSA-N 1 2 241.335 0.536 20 0 BCADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)C=CCC1 ZINC000930036770 646406009 /nfs/dbraw/zinc/40/60/09/646406009.db2.gz ZKXBPEYYOPDGPE-CYBMUJFWSA-N 1 2 238.331 0.479 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](CCOC1CC1)C2 ZINC000930070230 646419368 /nfs/dbraw/zinc/41/93/68/646419368.db2.gz WFOVPFHEEWLTNQ-UHFFFAOYSA-N 1 2 207.277 0.947 20 0 BCADLO c1[nH]nc2c1CC[N@H+](CCOC1CC1)C2 ZINC000930070230 646419371 /nfs/dbraw/zinc/41/93/71/646419371.db2.gz WFOVPFHEEWLTNQ-UHFFFAOYSA-N 1 2 207.277 0.947 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)c(C)nn1 ZINC000930104729 646437702 /nfs/dbraw/zinc/43/77/02/646437702.db2.gz HAAGGOSRMLAIAY-LLVKDONJSA-N 1 2 234.303 0.414 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)c(C)nn1 ZINC000930104729 646437706 /nfs/dbraw/zinc/43/77/06/646437706.db2.gz HAAGGOSRMLAIAY-LLVKDONJSA-N 1 2 234.303 0.414 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1cccnn1 ZINC000930177506 646480853 /nfs/dbraw/zinc/48/08/53/646480853.db2.gz NDBUNHNFYVBXIG-UHFFFAOYSA-N 1 2 238.291 0.383 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1cccnn1 ZINC000930177506 646480857 /nfs/dbraw/zinc/48/08/57/646480857.db2.gz NDBUNHNFYVBXIG-UHFFFAOYSA-N 1 2 238.291 0.383 20 0 BCADLO CCn1ccnc1[C@H](C)[NH2+][C@H]1CNOC1 ZINC000925867006 646517922 /nfs/dbraw/zinc/51/79/22/646517922.db2.gz OXCZTOAVHDTTOT-IUCAKERBSA-N 1 2 210.281 0.457 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CNOC1 ZINC000926042739 646564017 /nfs/dbraw/zinc/56/40/17/646564017.db2.gz NFQLHYDSVLLKOC-VIFPVBQESA-N 1 2 247.258 0.359 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000926056763 646566961 /nfs/dbraw/zinc/56/69/61/646566961.db2.gz WVMPGDFZKUHAJZ-BJOHPYRUSA-N 1 2 232.349 0.971 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000926056763 646566964 /nfs/dbraw/zinc/56/69/64/646566964.db2.gz WVMPGDFZKUHAJZ-BJOHPYRUSA-N 1 2 232.349 0.971 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000926056766 646567141 /nfs/dbraw/zinc/56/71/41/646567141.db2.gz WVMPGDFZKUHAJZ-RFAUZJTJSA-N 1 2 232.349 0.971 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000926056766 646567145 /nfs/dbraw/zinc/56/71/45/646567145.db2.gz WVMPGDFZKUHAJZ-RFAUZJTJSA-N 1 2 232.349 0.971 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CNOC1 ZINC000926106469 646573856 /nfs/dbraw/zinc/57/38/56/646573856.db2.gz SZGHRQYZGPCAMI-SECBINFHSA-N 1 2 247.258 0.359 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926210455 646595057 /nfs/dbraw/zinc/59/50/57/646595057.db2.gz QDKVWAXDNSKKNH-RKDXNWHRSA-N 1 2 237.307 0.352 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nonc1C ZINC000926263905 646608930 /nfs/dbraw/zinc/60/89/30/646608930.db2.gz YDZIXOPUPAKQDF-VXNVDRBHSA-N 1 2 240.307 0.895 20 0 BCADLO C[C@@H]1COC[C@@H]1[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000926497946 646662544 /nfs/dbraw/zinc/66/25/44/646662544.db2.gz BYLMMKNCBOGOKR-MIMYLULJSA-N 1 2 235.287 0.233 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C[C@H](C)O ZINC000051821741 711595384 /nfs/dbraw/zinc/59/53/84/711595384.db2.gz LRDVFNXSIFCNRQ-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C[C@H](C)O ZINC000051821741 711595387 /nfs/dbraw/zinc/59/53/87/711595387.db2.gz LRDVFNXSIFCNRQ-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO C[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000724726962 711609951 /nfs/dbraw/zinc/60/99/51/711609951.db2.gz JFJGBHNTEHQQIY-NKWVEPMBSA-N 1 2 222.235 0.216 20 0 BCADLO [NH3+][C@H](CC(=O)N1CCSCC1)C(F)F ZINC000724730766 711610088 /nfs/dbraw/zinc/61/00/88/711610088.db2.gz VQBHESKZICIKEM-ZCFIWIBFSA-N 1 2 224.276 0.544 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC001042605001 711787841 /nfs/dbraw/zinc/78/78/41/711787841.db2.gz FBNXTOWMWJQTCS-UHFFFAOYSA-N 1 2 237.278 0.997 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000379999713 711816464 /nfs/dbraw/zinc/81/64/64/711816464.db2.gz MADWLKJERUBCBR-QMMMGPOBSA-N 1 2 231.321 0.495 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030183764 711827623 /nfs/dbraw/zinc/82/76/23/711827623.db2.gz LDTJOWMSPYCWJU-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ocnc2C)C1 ZINC001030191907 711827755 /nfs/dbraw/zinc/82/77/55/711827755.db2.gz RUODKGGZZRGYQF-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(C)nn2)C1 ZINC001030290934 711830301 /nfs/dbraw/zinc/83/03/01/711830301.db2.gz DBJOOGAESUGMAJ-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO COCC[NH+]1CC(NC(=O)Cc2ccoc2)C1 ZINC001030236464 711829176 /nfs/dbraw/zinc/82/91/76/711829176.db2.gz NGMOUHKECWOIOB-UHFFFAOYSA-N 1 2 238.287 0.269 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702999252 712064184 /nfs/dbraw/zinc/06/41/84/712064184.db2.gz ZWDBCEUIOQGPCV-FKTRJACZSA-N 1 2 215.293 0.831 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ccsc2)[C@H](CO)C1 ZINC000703800833 712088303 /nfs/dbraw/zinc/08/83/03/712088303.db2.gz VCGHIDKFABWSBP-JTQLQIEISA-N 1 2 240.328 0.497 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ccsc2)[C@H](CO)C1 ZINC000703800833 712088305 /nfs/dbraw/zinc/08/83/05/712088305.db2.gz VCGHIDKFABWSBP-JTQLQIEISA-N 1 2 240.328 0.497 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ccsc2)[C@@H](CO)C1 ZINC000703800834 712088355 /nfs/dbraw/zinc/08/83/55/712088355.db2.gz VCGHIDKFABWSBP-SNVBAGLBSA-N 1 2 240.328 0.497 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ccsc2)[C@@H](CO)C1 ZINC000703800834 712088356 /nfs/dbraw/zinc/08/83/56/712088356.db2.gz VCGHIDKFABWSBP-SNVBAGLBSA-N 1 2 240.328 0.497 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706174924 712141659 /nfs/dbraw/zinc/14/16/59/712141659.db2.gz HJQANRSEUNFZJU-VXNVDRBHSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706174924 712141660 /nfs/dbraw/zinc/14/16/60/712141660.db2.gz HJQANRSEUNFZJU-VXNVDRBHSA-N 1 2 229.711 0.886 20 0 BCADLO CC[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC ZINC000379593420 712389977 /nfs/dbraw/zinc/38/99/77/712389977.db2.gz BRWNNMAAYOXNNR-BDAKNGLRSA-N 1 2 201.266 0.299 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000036933294 712521404 /nfs/dbraw/zinc/52/14/04/712521404.db2.gz PYVFSKJIMSUHRJ-SNVBAGLBSA-N 1 2 238.335 0.528 20 0 BCADLO Cc1nc(C[NH2+]CC2OCCCO2)[nH]c1C ZINC000716342046 712555398 /nfs/dbraw/zinc/55/53/98/712555398.db2.gz OGPMIAZNVYKDSG-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC000716954731 712599736 /nfs/dbraw/zinc/59/97/36/712599736.db2.gz BRIOVHBQVQZAPX-NXEZZACHSA-N 1 2 225.292 0.549 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](F)C1 ZINC000855036596 712614898 /nfs/dbraw/zinc/61/48/98/712614898.db2.gz MDHGFLFBNREPDF-QMMMGPOBSA-N 1 2 211.240 0.913 20 0 BCADLO OC/C=C\C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000717439198 712658067 /nfs/dbraw/zinc/65/80/67/712658067.db2.gz ZRTFNBJDJAXHKO-SYBPUXJVSA-N 1 2 207.277 0.925 20 0 BCADLO c1snnc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719086270 712796515 /nfs/dbraw/zinc/79/65/15/712796515.db2.gz VZYBNQPIGXWOBX-QMMMGPOBSA-N 1 2 241.316 0.733 20 0 BCADLO c1snnc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719086270 712796516 /nfs/dbraw/zinc/79/65/16/712796516.db2.gz VZYBNQPIGXWOBX-QMMMGPOBSA-N 1 2 241.316 0.733 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000719637446 712815042 /nfs/dbraw/zinc/81/50/42/712815042.db2.gz SIARHZBKWTUAKJ-NXEZZACHSA-N 1 2 223.324 0.480 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1ccns1 ZINC000719854396 712826013 /nfs/dbraw/zinc/82/60/13/712826013.db2.gz PJEBZRGIITXDHK-ZJUUUORDSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1ccns1 ZINC000719854396 712826015 /nfs/dbraw/zinc/82/60/15/712826015.db2.gz PJEBZRGIITXDHK-ZJUUUORDSA-N 1 2 242.344 0.767 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nocc1C ZINC000720363908 712835779 /nfs/dbraw/zinc/83/57/79/712835779.db2.gz RBRLACQHXLVZQC-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nocc1C ZINC000720363908 712835780 /nfs/dbraw/zinc/83/57/80/712835780.db2.gz RBRLACQHXLVZQC-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)no1 ZINC000720401450 712839615 /nfs/dbraw/zinc/83/96/15/712839615.db2.gz ZIXUGWIYJWCOIQ-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720427649 712841854 /nfs/dbraw/zinc/84/18/54/712841854.db2.gz UCRHZAUQMBEBBZ-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720427649 712841857 /nfs/dbraw/zinc/84/18/57/712841857.db2.gz UCRHZAUQMBEBBZ-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1scnc1Cl ZINC000721952671 710694312 /nfs/dbraw/zinc/69/43/12/710694312.db2.gz AGSHIDAIMOCHGG-NKWVEPMBSA-N 1 2 248.735 0.724 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1scnc1Cl ZINC000721952671 710694316 /nfs/dbraw/zinc/69/43/16/710694316.db2.gz AGSHIDAIMOCHGG-NKWVEPMBSA-N 1 2 248.735 0.724 20 0 BCADLO CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038841701 710711192 /nfs/dbraw/zinc/71/11/92/710711192.db2.gz OAXGLLZTICKXNE-SECBINFHSA-N 1 2 237.307 0.409 20 0 BCADLO CCCC[N@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038841701 710711193 /nfs/dbraw/zinc/71/11/93/710711193.db2.gz OAXGLLZTICKXNE-SECBINFHSA-N 1 2 237.307 0.409 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H](C)CO1 ZINC000724771374 710746186 /nfs/dbraw/zinc/74/61/86/710746186.db2.gz KJMQMKYUEVIDOR-RNJXMRFFSA-N 1 2 236.262 0.605 20 0 BCADLO CN(C(=O)C1CC1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042394778 710779498 /nfs/dbraw/zinc/77/94/98/710779498.db2.gz BGUGLCCCRAHOKX-UHFFFAOYSA-N 1 2 248.330 0.473 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394811 710780074 /nfs/dbraw/zinc/78/00/74/710780074.db2.gz CYLMUAFSMIIIDJ-UHFFFAOYSA-N 1 2 206.236 0.804 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccccn2)C1 ZINC001042411290 710781646 /nfs/dbraw/zinc/78/16/46/710781646.db2.gz BWIDJRSWPYTZHG-SNVBAGLBSA-N 1 2 249.314 0.219 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042424283 710783116 /nfs/dbraw/zinc/78/31/16/710783116.db2.gz UTKAJCBSJRWXKX-NSHDSACASA-N 1 2 248.326 0.824 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001042471867 710785846 /nfs/dbraw/zinc/78/58/46/710785846.db2.gz HAGZMOGZIZCAMH-VIFPVBQESA-N 1 2 237.303 0.152 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001042471866 710786179 /nfs/dbraw/zinc/78/61/79/710786179.db2.gz HAGZMOGZIZCAMH-SECBINFHSA-N 1 2 237.303 0.152 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001042516300 710790167 /nfs/dbraw/zinc/79/01/67/710790167.db2.gz KQWCTZTXDKWSNR-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC001042516300 710790172 /nfs/dbraw/zinc/79/01/72/710790172.db2.gz KQWCTZTXDKWSNR-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001042555353 710791320 /nfs/dbraw/zinc/79/13/20/710791320.db2.gz XGRIALLSQMSNCD-UHFFFAOYSA-N 1 2 236.319 0.803 20 0 BCADLO CN(C(=O)C1=CCCC1)C1C[NH+](CCO)C1 ZINC001042607768 710794404 /nfs/dbraw/zinc/79/44/04/710794404.db2.gz ROPCJVCXFMJJQT-UHFFFAOYSA-N 1 2 224.304 0.232 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cn3c(n2)CCC3)C1 ZINC001042744377 710797848 /nfs/dbraw/zinc/79/78/48/710797848.db2.gz YSYSSIJEFKNUQZ-UHFFFAOYSA-N 1 2 248.330 0.605 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001043762358 710812642 /nfs/dbraw/zinc/81/26/42/710812642.db2.gz XSZXGQKYIKPHMW-UWVGGRQHSA-N 1 2 226.320 0.167 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(CCF)C1 ZINC001044090415 710818976 /nfs/dbraw/zinc/81/89/76/710818976.db2.gz KXNHZULOLIWXQQ-UHFFFAOYSA-N 1 2 240.282 0.064 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044111155 710819700 /nfs/dbraw/zinc/81/97/00/710819700.db2.gz DMLBWSHFEYOOQE-RYUDHWBXSA-N 1 2 240.347 0.413 20 0 BCADLO Cc1nonc1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044368514 710824097 /nfs/dbraw/zinc/82/40/97/710824097.db2.gz ULAQFNZLGBBLKY-UHFFFAOYSA-N 1 2 238.291 0.543 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2nccn2C)C1 ZINC001046085833 710845493 /nfs/dbraw/zinc/84/54/93/710845493.db2.gz FBKSPFOBPGXJCJ-GFCCVEGCSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2nccn2C)C1 ZINC001046085833 710845497 /nfs/dbraw/zinc/84/54/97/710845497.db2.gz FBKSPFOBPGXJCJ-GFCCVEGCSA-N 1 2 236.319 0.521 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C(F)F)CCO2 ZINC001053115493 710919706 /nfs/dbraw/zinc/91/97/06/710919706.db2.gz LJFDUNAAOHFMIU-UHFFFAOYSA-N 1 2 234.246 0.185 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C(C)C)CCO2 ZINC001053165223 710919872 /nfs/dbraw/zinc/91/98/72/710919872.db2.gz NWBJSIKLTAFVEM-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC1)CO2 ZINC001053713372 710920535 /nfs/dbraw/zinc/92/05/35/710920535.db2.gz JNKXXKGJNHUFKB-SNVBAGLBSA-N 1 2 224.304 0.376 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)CO2 ZINC001053711652 710920557 /nfs/dbraw/zinc/92/05/57/710920557.db2.gz PNCWUGCADNZMHP-ZETCQYMHSA-N 1 2 234.246 0.231 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC001054300446 710926056 /nfs/dbraw/zinc/92/60/56/710926056.db2.gz FJBVQFHCSFHFOZ-XVKPBYJWSA-N 1 2 238.291 0.334 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050786213 710954563 /nfs/dbraw/zinc/95/45/63/710954563.db2.gz WKFVKPDNPKBKIS-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050786213 710954565 /nfs/dbraw/zinc/95/45/65/710954565.db2.gz WKFVKPDNPKBKIS-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@H+]1CC[C@@H](C)F ZINC001050782541 710955055 /nfs/dbraw/zinc/95/50/55/710955055.db2.gz PMYGWFQPXXKOCZ-KOLCDFICSA-N 1 2 232.299 0.571 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@@H+]1CC[C@@H](C)F ZINC001050782541 710955058 /nfs/dbraw/zinc/95/50/58/710955058.db2.gz PMYGWFQPXXKOCZ-KOLCDFICSA-N 1 2 232.299 0.571 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@H+]1CC[C@H](C)F ZINC001050782540 710955133 /nfs/dbraw/zinc/95/51/33/710955133.db2.gz PMYGWFQPXXKOCZ-GXSJLCMTSA-N 1 2 232.299 0.571 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@H](C)F ZINC001050782540 710955134 /nfs/dbraw/zinc/95/51/34/710955134.db2.gz PMYGWFQPXXKOCZ-GXSJLCMTSA-N 1 2 232.299 0.571 20 0 BCADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051066113 710955507 /nfs/dbraw/zinc/95/55/07/710955507.db2.gz MBJVUHUNGAIJPK-SRVKXCTJSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051066113 710955509 /nfs/dbraw/zinc/95/55/09/710955509.db2.gz MBJVUHUNGAIJPK-SRVKXCTJSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001050818765 710955992 /nfs/dbraw/zinc/95/59/92/710955992.db2.gz ULLVEFWYEUFCIY-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001050818765 710955994 /nfs/dbraw/zinc/95/59/94/710955994.db2.gz ULLVEFWYEUFCIY-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051070568 710956110 /nfs/dbraw/zinc/95/61/10/710956110.db2.gz TXEQHIWRXFSPPU-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051070568 710956113 /nfs/dbraw/zinc/95/61/13/710956113.db2.gz TXEQHIWRXFSPPU-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(C)C1 ZINC001050865611 710956192 /nfs/dbraw/zinc/95/61/92/710956192.db2.gz MRGFXSIHYVEALB-HTAVTVPLSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(C)C1 ZINC001050865611 710956194 /nfs/dbraw/zinc/95/61/94/710956194.db2.gz MRGFXSIHYVEALB-HTAVTVPLSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1cnn(C)n1 ZINC000384054311 710988438 /nfs/dbraw/zinc/98/84/38/710988438.db2.gz XDKZVSMKZKMYAW-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1cnn(C)n1 ZINC000384054311 710988443 /nfs/dbraw/zinc/98/84/43/710988443.db2.gz XDKZVSMKZKMYAW-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO CNc1cc(NCc2snnc2C)nc[nH+]1 ZINC000384109523 710989341 /nfs/dbraw/zinc/98/93/41/710989341.db2.gz HBALAHCTVXBMQH-UHFFFAOYSA-N 1 2 236.304 0.712 20 0 BCADLO CNc1cc(NCc2snnc2C)[nH+]cn1 ZINC000384109523 710989344 /nfs/dbraw/zinc/98/93/44/710989344.db2.gz HBALAHCTVXBMQH-UHFFFAOYSA-N 1 2 236.304 0.712 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000380674202 712902174 /nfs/dbraw/zinc/90/21/74/712902174.db2.gz CLVMSRUXYYLKGF-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO CCCNc1cc(N2CC(=O)N[C@H](C)C2)nc[nH+]1 ZINC000386844065 711037286 /nfs/dbraw/zinc/03/72/86/711037286.db2.gz BOODTCCMRCOFCM-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N2CC(=O)N[C@H](C)C2)[nH+]cn1 ZINC000386844065 711037287 /nfs/dbraw/zinc/03/72/87/711037287.db2.gz BOODTCCMRCOFCM-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CCn1cc([C@H](C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000389808727 711089237 /nfs/dbraw/zinc/08/92/37/711089237.db2.gz DWBWLPWGMKCIKK-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO COCCN1CC[C@@H]([NH2+][C@@H](C)C(F)F)C1 ZINC000389914776 711097332 /nfs/dbraw/zinc/09/73/32/711097332.db2.gz MHWSRKBZSJLPHU-DTWKUNHWSA-N 1 2 222.279 0.950 20 0 BCADLO CC1(C(=O)OCc2cc[nH+]c(N)c2)COC1 ZINC000390374471 711113962 /nfs/dbraw/zinc/11/39/62/711113962.db2.gz XANHJWCIJHPUQH-UHFFFAOYSA-N 1 2 222.244 0.574 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000390413357 711115170 /nfs/dbraw/zinc/11/51/70/711115170.db2.gz FYPLVNHRAXOKAX-VIFPVBQESA-N 1 2 245.348 0.333 20 0 BCADLO CCCCOC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000390467236 711118863 /nfs/dbraw/zinc/11/88/63/711118863.db2.gz AVEVUSAWQCZWCJ-JTQLQIEISA-N 1 2 233.308 0.005 20 0 BCADLO CCCCOC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000390467236 711118865 /nfs/dbraw/zinc/11/88/65/711118865.db2.gz AVEVUSAWQCZWCJ-JTQLQIEISA-N 1 2 233.308 0.005 20 0 BCADLO COC(OC)[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000391871906 711141852 /nfs/dbraw/zinc/14/18/52/711141852.db2.gz JWYIZITWQLASPB-LURJTMIESA-N 1 2 231.321 0.944 20 0 BCADLO CCC[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC000393597037 711165733 /nfs/dbraw/zinc/16/57/33/711165733.db2.gz ILKWINFTSMTMTA-UHFFFAOYSA-N 1 2 202.273 0.945 20 0 BCADLO CC[NH2+]Cc1noc([C@]2(C)CCOC2)n1 ZINC000393749415 711172301 /nfs/dbraw/zinc/17/23/01/711172301.db2.gz AXVXUNUIYFANCZ-SNVBAGLBSA-N 1 2 211.265 0.857 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]1CO ZINC000393843083 711177479 /nfs/dbraw/zinc/17/74/79/711177479.db2.gz KOALKVHHGZMPDX-NSHDSACASA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000399214348 711423997 /nfs/dbraw/zinc/42/39/97/711423997.db2.gz SUUZFPVFBRRIRR-SCZZXKLOSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000399214348 711424000 /nfs/dbraw/zinc/42/40/00/711424000.db2.gz SUUZFPVFBRRIRR-SCZZXKLOSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000399200413 711424085 /nfs/dbraw/zinc/42/40/85/711424085.db2.gz NCEYQDWZEKAOAW-MNOVXSKESA-N 1 2 237.303 0.645 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000399273368 711425196 /nfs/dbraw/zinc/42/51/96/711425196.db2.gz XFLWAZWXKYNCIR-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000399273368 711425201 /nfs/dbraw/zinc/42/52/01/711425201.db2.gz XFLWAZWXKYNCIR-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cnn(C)n1 ZINC000399341008 711429004 /nfs/dbraw/zinc/42/90/04/711429004.db2.gz SONZUJRRCMKSGQ-SCZZXKLOSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cnn(C)n1 ZINC000399341008 711429007 /nfs/dbraw/zinc/42/90/07/711429007.db2.gz SONZUJRRCMKSGQ-SCZZXKLOSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1ncc(Cl)n1C ZINC000380960519 710596331 /nfs/dbraw/zinc/59/63/31/710596331.db2.gz APRHAOFWNCXIHS-MRVPVSSYSA-N 1 2 247.726 0.249 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1ncc(Cl)n1C ZINC000380960519 710596334 /nfs/dbraw/zinc/59/63/34/710596334.db2.gz APRHAOFWNCXIHS-MRVPVSSYSA-N 1 2 247.726 0.249 20 0 BCADLO CCc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000381198324 710608631 /nfs/dbraw/zinc/60/86/31/710608631.db2.gz BQDATJLGWSJIQN-UHFFFAOYSA-N 1 2 217.276 0.807 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000722013791 710697241 /nfs/dbraw/zinc/69/72/41/710697241.db2.gz KTBYXVSKIDWFQW-DTORHVGOSA-N 1 2 223.263 0.971 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000722013791 710697243 /nfs/dbraw/zinc/69/72/43/710697243.db2.gz KTBYXVSKIDWFQW-DTORHVGOSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042402708 710780614 /nfs/dbraw/zinc/78/06/14/710780614.db2.gz PPLZRHWSMIXDLR-QMMMGPOBSA-N 1 2 232.299 0.258 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042402433 710781437 /nfs/dbraw/zinc/78/14/37/710781437.db2.gz DIAATNWJOOZOOC-UHFFFAOYSA-N 1 2 232.299 0.524 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2nccn2C)C1 ZINC001046085835 710845008 /nfs/dbraw/zinc/84/50/08/710845008.db2.gz FBKSPFOBPGXJCJ-LBPRGKRZSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2nccn2C)C1 ZINC001046085835 710845015 /nfs/dbraw/zinc/84/50/15/710845015.db2.gz FBKSPFOBPGXJCJ-LBPRGKRZSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001046089398 710845236 /nfs/dbraw/zinc/84/52/36/710845236.db2.gz CPFRVOQYZNRPJE-ZDUSSCGKSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001046089398 710845240 /nfs/dbraw/zinc/84/52/40/710845240.db2.gz CPFRVOQYZNRPJE-ZDUSSCGKSA-N 1 2 248.330 0.886 20 0 BCADLO c1cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)[nH]n1 ZINC000903092501 710890643 /nfs/dbraw/zinc/89/06/43/710890643.db2.gz KSVJMGMPBQOBRM-GHMZBOCLSA-N 1 2 223.276 0.447 20 0 BCADLO CC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056827482 710948465 /nfs/dbraw/zinc/94/84/65/710948465.db2.gz PJQILIUVWPVPCW-LLVKDONJSA-N 1 2 234.303 0.842 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000388299758 711057435 /nfs/dbraw/zinc/05/74/35/711057435.db2.gz NARPHGGKKAHVBV-BYXPXVBTSA-N 1 2 224.713 0.102 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000388299758 711057437 /nfs/dbraw/zinc/05/74/37/711057437.db2.gz NARPHGGKKAHVBV-BYXPXVBTSA-N 1 2 224.713 0.102 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2cnn(C)n2)[nH]1 ZINC000389815953 711091363 /nfs/dbraw/zinc/09/13/63/711091363.db2.gz PGRISTCOJAKIQN-UHFFFAOYSA-N 1 2 249.274 0.220 20 0 BCADLO CON(C)C(=O)C[NH2+][C@H](C)c1cnccn1 ZINC000397532330 711385839 /nfs/dbraw/zinc/38/58/39/711385839.db2.gz LOEIVCWPZIJMQB-MRVPVSSYSA-N 1 2 224.264 0.147 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nccs1 ZINC000397540194 711386822 /nfs/dbraw/zinc/38/68/22/711386822.db2.gz VBINAKJVUNHLLU-UHFFFAOYSA-N 1 2 215.278 0.253 20 0 BCADLO CNc1cc(NC[C@@H]2CC[C@H](C)O2)[nH+]cn1 ZINC000397904208 711395181 /nfs/dbraw/zinc/39/51/81/711395181.db2.gz DDQLJHFCFQSSGS-IUCAKERBSA-N 1 2 222.292 0.920 20 0 BCADLO CNc1cc(NC[C@H]2CC[C@H](C)O2)[nH+]cn1 ZINC000397904206 711395749 /nfs/dbraw/zinc/39/57/49/711395749.db2.gz DDQLJHFCFQSSGS-DTWKUNHWSA-N 1 2 222.292 0.920 20 0 BCADLO Cc1nc(N2CCOC[C@H](C)C2)nc(N)[nH+]1 ZINC000399544026 711431753 /nfs/dbraw/zinc/43/17/53/711431753.db2.gz RNSJAFLFCHIEPL-SSDOTTSWSA-N 1 2 223.280 0.065 20 0 BCADLO Cc1nc(N2CCOC[C@@H](C)C2)nc(N)[nH+]1 ZINC000399544029 711432259 /nfs/dbraw/zinc/43/22/59/711432259.db2.gz RNSJAFLFCHIEPL-ZETCQYMHSA-N 1 2 223.280 0.065 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)c1nc(C)[nH+]c(N)n1 ZINC000724182729 711566345 /nfs/dbraw/zinc/56/63/45/711566345.db2.gz KFKBHOHQBLPUFJ-HTQZYQBOSA-N 1 2 223.280 0.376 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](CO)COC)n1 ZINC000926337297 711572958 /nfs/dbraw/zinc/57/29/58/711572958.db2.gz KPWYSKTULFXYHE-SCZZXKLOSA-N 1 2 242.323 0.264 20 0 BCADLO c1csc(C[NH2+]CC2OCCCO2)n1 ZINC000716369985 711573227 /nfs/dbraw/zinc/57/32/27/711573227.db2.gz MOEDGRDVOHHZSA-UHFFFAOYSA-N 1 2 214.290 0.996 20 0 BCADLO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)OC ZINC000724611872 711598295 /nfs/dbraw/zinc/59/82/95/711598295.db2.gz YXKLHMCJPNEMKU-RCWTZXSCSA-N 1 2 243.303 0.332 20 0 BCADLO CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)OC ZINC000724654977 711606412 /nfs/dbraw/zinc/60/64/12/711606412.db2.gz YXKLHMCJPNEMKU-DBIOUOCHSA-N 1 2 243.303 0.332 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](NC(N)=O)C2)c(C)[nH+]1 ZINC000724774911 711611746 /nfs/dbraw/zinc/61/17/46/711611746.db2.gz QFPSZJSVKFPOKK-VIFPVBQESA-N 1 2 237.307 0.269 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724962003 711637687 /nfs/dbraw/zinc/63/76/87/711637687.db2.gz UQADZKUCIUVRRQ-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724962003 711637689 /nfs/dbraw/zinc/63/76/89/711637689.db2.gz UQADZKUCIUVRRQ-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC12CC(O)C2 ZINC000724984311 711640286 /nfs/dbraw/zinc/64/02/86/711640286.db2.gz BIEWTURCFWTNBA-QAHKDPLZSA-N 1 2 245.286 0.689 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000924564625 711671036 /nfs/dbraw/zinc/67/10/36/711671036.db2.gz PCPFFGBTJWDRAX-CIUDSAMLSA-N 1 2 237.307 0.398 20 0 BCADLO Cn1ccnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782619486 711677893 /nfs/dbraw/zinc/67/78/93/711677893.db2.gz PEXKKPOWYHYPOU-KOLCDFICSA-N 1 2 207.277 0.234 20 0 BCADLO Cn1ccnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782619486 711677894 /nfs/dbraw/zinc/67/78/94/711677894.db2.gz PEXKKPOWYHYPOU-KOLCDFICSA-N 1 2 207.277 0.234 20 0 BCADLO COC(OC)[C@@H](C)[NH2+]Cc1cocn1 ZINC000395164208 711692798 /nfs/dbraw/zinc/69/27/98/711692798.db2.gz OEZXFOGTXRGNCU-SSDOTTSWSA-N 1 2 200.238 0.772 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCc1cnccn1 ZINC000930843630 711705015 /nfs/dbraw/zinc/70/50/15/711705015.db2.gz STWAMMHVOGFUGL-GARJFASQSA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCc1cnccn1 ZINC000930843630 711705016 /nfs/dbraw/zinc/70/50/16/711705016.db2.gz STWAMMHVOGFUGL-GARJFASQSA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000334595914 711717748 /nfs/dbraw/zinc/71/77/48/711717748.db2.gz PHLYMXYHTMFQQL-BDAKNGLRSA-N 1 2 248.330 0.926 20 0 BCADLO CCN1CCCN(c2cc(NC)[nH+]cn2)CC1=O ZINC000893419422 711721490 /nfs/dbraw/zinc/72/14/90/711721490.db2.gz FADPGMLEZXCSQD-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CCN1CCCN(c2cc(NC)nc[nH+]2)CC1=O ZINC000893419422 711721493 /nfs/dbraw/zinc/72/14/93/711721493.db2.gz FADPGMLEZXCSQD-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H]2CCO)nc[nH+]1 ZINC000258629327 711739011 /nfs/dbraw/zinc/73/90/11/711739011.db2.gz DPNQWUMTMWYYCZ-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H]2CCO)[nH+]cn1 ZINC000258629327 711739013 /nfs/dbraw/zinc/73/90/13/711739013.db2.gz DPNQWUMTMWYYCZ-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038841763 711750497 /nfs/dbraw/zinc/75/04/97/711750497.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038841763 711750493 /nfs/dbraw/zinc/75/04/93/711750493.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038841763 711750495 /nfs/dbraw/zinc/75/04/95/711750495.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038841763 711750498 /nfs/dbraw/zinc/75/04/98/711750498.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1c(C)ccnc1N ZINC000894853874 711772711 /nfs/dbraw/zinc/77/27/11/711772711.db2.gz ZWBWUCXSRKJSAI-UHFFFAOYSA-N 1 2 236.319 0.670 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1c(C)ccnc1N ZINC000894853874 711772712 /nfs/dbraw/zinc/77/27/12/711772712.db2.gz ZWBWUCXSRKJSAI-UHFFFAOYSA-N 1 2 236.319 0.670 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC12CC2 ZINC000868960327 711784009 /nfs/dbraw/zinc/78/40/09/711784009.db2.gz UPXMENLUAVLFDH-RFMOXSJOSA-N 1 2 236.315 0.544 20 0 BCADLO Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343404117 711796480 /nfs/dbraw/zinc/79/64/80/711796480.db2.gz QDZJDTOTOLBVBL-SECBINFHSA-N 1 2 245.286 0.538 20 0 BCADLO CC1(C)[C@H](NC(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000907535224 711815788 /nfs/dbraw/zinc/81/57/88/711815788.db2.gz SAJUVFHAUFHOTI-ZJUUUORDSA-N 1 2 249.314 0.769 20 0 BCADLO Cn1cc([C@H]2CN(C(=O)C3CC3)CC[NH2+]2)cn1 ZINC000913474505 711822496 /nfs/dbraw/zinc/82/24/96/711822496.db2.gz CEWSTXWVGURNFB-LLVKDONJSA-N 1 2 234.303 0.303 20 0 BCADLO CCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913476368 711822608 /nfs/dbraw/zinc/82/26/08/711822608.db2.gz XGMLMDOBQLLPCV-LLVKDONJSA-N 1 2 236.319 0.693 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030056893 711825709 /nfs/dbraw/zinc/82/57/09/711825709.db2.gz XESCNGOSVHXKGR-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H](C)COC ZINC000045695478 711827154 /nfs/dbraw/zinc/82/71/54/711827154.db2.gz OUIWDDXQDGNDKD-DTWKUNHWSA-N 1 2 203.282 0.810 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001030421313 711832864 /nfs/dbraw/zinc/83/28/64/711832864.db2.gz BZSSCGIXXIHOCM-NWDGAFQWSA-N 1 2 240.347 0.868 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001030421315 711832878 /nfs/dbraw/zinc/83/28/78/711832878.db2.gz BZSSCGIXXIHOCM-VXGBXAGGSA-N 1 2 240.347 0.868 20 0 BCADLO CCn1nnc(C)c1C(=O)NC1C[NH+](CC)C1 ZINC001030430627 711833201 /nfs/dbraw/zinc/83/32/01/711833201.db2.gz PBUOLSXVSAKWHV-UHFFFAOYSA-N 1 2 237.307 0.040 20 0 BCADLO CCOCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000170617263 711836945 /nfs/dbraw/zinc/83/69/45/711836945.db2.gz YVIZASFOFAKELT-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO CCOCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000170617263 711836946 /nfs/dbraw/zinc/83/69/46/711836946.db2.gz YVIZASFOFAKELT-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001030568005 711837346 /nfs/dbraw/zinc/83/73/46/711837346.db2.gz SUWATTIBEWLEBE-GMTAPVOTSA-N 1 2 238.331 0.215 20 0 BCADLO CCOC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171297482 711838786 /nfs/dbraw/zinc/83/87/86/711838786.db2.gz LWQXLQLOBYVQTC-UHFFFAOYSA-N 1 2 243.303 0.634 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2nonc2C)C1 ZINC001046086870 711844884 /nfs/dbraw/zinc/84/48/84/711844884.db2.gz LVBAOCLFKUIEMS-NSHDSACASA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2nonc2C)C1 ZINC001046086870 711844886 /nfs/dbraw/zinc/84/48/86/711844886.db2.gz LVBAOCLFKUIEMS-NSHDSACASA-N 1 2 238.291 0.479 20 0 BCADLO C/C=C/C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914736878 711865458 /nfs/dbraw/zinc/86/54/58/711865458.db2.gz QSZIZLQRNBCXOH-HMDXOVGESA-N 1 2 212.293 0.399 20 0 BCADLO CCc1nc(C)c(C(=O)NC2C[NH+](CC)C2)o1 ZINC001031202374 711868172 /nfs/dbraw/zinc/86/81/72/711868172.db2.gz NCRPURHYECBZJM-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO CNc1nc(N[C@@H](C)[C@H](C)O)[nH+]c2ccccc21 ZINC000450535251 711937999 /nfs/dbraw/zinc/93/79/99/711937999.db2.gz LKYAUWMCWPKRTQ-IUCAKERBSA-N 1 2 246.314 0.697 20 0 BCADLO CN(C(=O)C(C)(C)C)C1C[NH+](CCCO)C1 ZINC001044214710 711960368 /nfs/dbraw/zinc/96/03/68/711960368.db2.gz AIGYKIQUXWXYRD-UHFFFAOYSA-N 1 2 228.336 0.558 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001032844561 711962085 /nfs/dbraw/zinc/96/20/85/711962085.db2.gz CNEDVAQPKXESKM-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001032844561 711962086 /nfs/dbraw/zinc/96/20/86/711962086.db2.gz CNEDVAQPKXESKM-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](CCF)C1 ZINC001032932574 711968631 /nfs/dbraw/zinc/96/86/31/711968631.db2.gz SPHYLBIBSGFUEO-VIFPVBQESA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](CCF)C1 ZINC001032932574 711968633 /nfs/dbraw/zinc/96/86/33/711968633.db2.gz SPHYLBIBSGFUEO-VIFPVBQESA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](CCF)C1 ZINC001032932574 711968635 /nfs/dbraw/zinc/96/86/35/711968635.db2.gz SPHYLBIBSGFUEO-VIFPVBQESA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](CCF)C1 ZINC001032932574 711968636 /nfs/dbraw/zinc/96/86/36/711968636.db2.gz SPHYLBIBSGFUEO-VIFPVBQESA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](CCF)C1 ZINC001032932572 711969223 /nfs/dbraw/zinc/96/92/23/711969223.db2.gz SPHYLBIBSGFUEO-SECBINFHSA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032932572 711969224 /nfs/dbraw/zinc/96/92/24/711969224.db2.gz SPHYLBIBSGFUEO-SECBINFHSA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](CCF)C1 ZINC001032932572 711969226 /nfs/dbraw/zinc/96/92/26/711969226.db2.gz SPHYLBIBSGFUEO-SECBINFHSA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032932572 711969227 /nfs/dbraw/zinc/96/92/27/711969227.db2.gz SPHYLBIBSGFUEO-SECBINFHSA-N 1 2 240.282 0.526 20 0 BCADLO CN1C(=O)CC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922666461 711975274 /nfs/dbraw/zinc/97/52/74/711975274.db2.gz CYNAYIJPFKDKAT-SECBINFHSA-N 1 2 249.270 0.328 20 0 BCADLO COC(C[N@@H+]1CCO[C@@H](CCF)C1)OC ZINC000700589519 711999107 /nfs/dbraw/zinc/99/91/07/711999107.db2.gz FPLOMEWZRYJIIP-VIFPVBQESA-N 1 2 221.272 0.666 20 0 BCADLO COC(C[N@H+]1CCO[C@@H](CCF)C1)OC ZINC000700589519 711999110 /nfs/dbraw/zinc/99/91/10/711999110.db2.gz FPLOMEWZRYJIIP-VIFPVBQESA-N 1 2 221.272 0.666 20 0 BCADLO CCc1nnc(C[NH2+][C@@]2(CO)CCOC2)s1 ZINC000702705480 712059987 /nfs/dbraw/zinc/05/99/87/712059987.db2.gz GQELZMLOVGOVGF-SNVBAGLBSA-N 1 2 243.332 0.342 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CC(=O)N(C)C2)s1 ZINC000702694722 712060121 /nfs/dbraw/zinc/06/01/21/712060121.db2.gz REQSSPYHZJHGOL-SSDOTTSWSA-N 1 2 240.332 0.421 20 0 BCADLO CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034833004 712095028 /nfs/dbraw/zinc/09/50/28/712095028.db2.gz BSCSADVGZOLLRG-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)n1 ZINC000708707534 712197782 /nfs/dbraw/zinc/19/77/82/712197782.db2.gz MRDPGYQPVGQRTP-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@H]2C)nc[nH+]1 ZINC000710901057 712261823 /nfs/dbraw/zinc/26/18/23/712261823.db2.gz KOHZXCCJBBJVMU-HTQZYQBOSA-N 1 2 208.265 0.965 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@H]2C)[nH+]cn1 ZINC000710901057 712261824 /nfs/dbraw/zinc/26/18/24/712261824.db2.gz KOHZXCCJBBJVMU-HTQZYQBOSA-N 1 2 208.265 0.965 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1COC[C@H]1C)C1CC1 ZINC000711031937 712275738 /nfs/dbraw/zinc/27/57/38/712275738.db2.gz FRDGLVFMDPFOPD-FKTZTGRPSA-N 1 2 213.277 0.563 20 0 BCADLO C[C@@H]1COC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000711082552 712278688 /nfs/dbraw/zinc/27/86/88/712278688.db2.gz NECGAOHTVPKAAW-APPZFPTMSA-N 1 2 233.275 0.810 20 0 BCADLO O[C@@H](CNc1cc[nH+]cc1F)C(F)(F)F ZINC000711079284 712279147 /nfs/dbraw/zinc/27/91/47/712279147.db2.gz LSHIYRWVUSHRPS-ZETCQYMHSA-N 1 2 224.157 0.978 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2nccn2C2CC2)[nH]1 ZINC000711782441 712329677 /nfs/dbraw/zinc/32/96/77/712329677.db2.gz FFCGNASTELIGHY-UHFFFAOYSA-N 1 2 246.318 0.977 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712253775 712342874 /nfs/dbraw/zinc/34/28/74/712342874.db2.gz JCEVBGJSCHYUGA-GRYCIOLGSA-N 1 2 249.314 0.503 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001079322928 712346405 /nfs/dbraw/zinc/34/64/05/712346405.db2.gz DOPGMDQRQHVZKE-BXKDBHETSA-N 1 2 236.319 0.377 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001079322928 712346406 /nfs/dbraw/zinc/34/64/06/712346406.db2.gz DOPGMDQRQHVZKE-BXKDBHETSA-N 1 2 236.319 0.377 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000712299532 712395511 /nfs/dbraw/zinc/39/55/11/712395511.db2.gz OCYXJYJBNVSHNH-SNVBAGLBSA-N 1 2 240.328 0.669 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000712299532 712395513 /nfs/dbraw/zinc/39/55/13/712395513.db2.gz OCYXJYJBNVSHNH-SNVBAGLBSA-N 1 2 240.328 0.669 20 0 BCADLO CCCn1cc(C[NH2+]CCn2ccnc2C)nn1 ZINC000714502389 712492808 /nfs/dbraw/zinc/49/28/08/712492808.db2.gz UTONVBILNLQSLI-UHFFFAOYSA-N 1 2 248.334 0.983 20 0 BCADLO CCCn1cc(CNCCn2cc[nH+]c2C)nn1 ZINC000714502389 712492809 /nfs/dbraw/zinc/49/28/09/712492809.db2.gz UTONVBILNLQSLI-UHFFFAOYSA-N 1 2 248.334 0.983 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cn(CC)nn1 ZINC000714935691 712500230 /nfs/dbraw/zinc/50/02/30/712500230.db2.gz NLWCYHAYNCMEDS-VIFPVBQESA-N 1 2 239.323 0.254 20 0 BCADLO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ncn(C)n1 ZINC000715064857 712505104 /nfs/dbraw/zinc/50/51/04/712505104.db2.gz CSEQFXRMNGWHNC-IUCAKERBSA-N 1 2 240.307 0.617 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cn(C)nn1 ZINC000715839800 712535550 /nfs/dbraw/zinc/53/55/50/712535550.db2.gz VXPHKZYKZKONNL-CAHLUQPWSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cn(C)nn1 ZINC000715899698 712541055 /nfs/dbraw/zinc/54/10/55/712541055.db2.gz BOTJBHHRQLSGLI-MRVPVSSYSA-N 1 2 239.323 0.380 20 0 BCADLO COC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716349330 712555706 /nfs/dbraw/zinc/55/57/06/712555706.db2.gz LEQXQQJFZHVZLO-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](CCOC(F)F)C1 ZINC000851794521 712612256 /nfs/dbraw/zinc/61/22/56/712612256.db2.gz AVLBLEGMSZHMAP-SECBINFHSA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](CCOC(F)F)C1 ZINC000851794521 712612258 /nfs/dbraw/zinc/61/22/58/712612258.db2.gz AVLBLEGMSZHMAP-SECBINFHSA-N 1 2 241.209 0.813 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000380013867 712669955 /nfs/dbraw/zinc/66/99/55/712669955.db2.gz SOUUPOGIYNMREA-PSASIEDQSA-N 1 2 215.293 0.689 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000380190111 712709251 /nfs/dbraw/zinc/70/92/51/712709251.db2.gz OPFDBENEOKSBAG-SCZZXKLOSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000718406882 712759458 /nfs/dbraw/zinc/75/94/58/712759458.db2.gz RUXVLOJKYJFYCZ-ZJUUUORDSA-N 1 2 212.293 0.185 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000718476237 712766693 /nfs/dbraw/zinc/76/66/93/712766693.db2.gz CRQJAUAZEBJGOF-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000720581246 712854223 /nfs/dbraw/zinc/85/42/23/712854223.db2.gz GYMQWDGRBNNMQT-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C ZINC001037979490 712894573 /nfs/dbraw/zinc/89/45/73/712894573.db2.gz DBKAZHVJYXDDDW-LLVKDONJSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1conc1C ZINC001037979490 712894574 /nfs/dbraw/zinc/89/45/74/712894574.db2.gz DBKAZHVJYXDDDW-LLVKDONJSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ncn1 ZINC001037984772 712895150 /nfs/dbraw/zinc/89/51/50/712895150.db2.gz GUTPDUNDXPLNHI-LBPRGKRZSA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ncn1 ZINC001037984772 712895153 /nfs/dbraw/zinc/89/51/53/712895153.db2.gz GUTPDUNDXPLNHI-LBPRGKRZSA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ncn1 ZINC001037984771 712895537 /nfs/dbraw/zinc/89/55/37/712895537.db2.gz GUTPDUNDXPLNHI-GFCCVEGCSA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ncn1 ZINC001037984771 712895539 /nfs/dbraw/zinc/89/55/39/712895539.db2.gz GUTPDUNDXPLNHI-GFCCVEGCSA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1nccnc1C ZINC001037980392 712896427 /nfs/dbraw/zinc/89/64/27/712896427.db2.gz KXRPFUVCMBCAKK-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1nccnc1C ZINC001037980392 712896428 /nfs/dbraw/zinc/89/64/28/712896428.db2.gz KXRPFUVCMBCAKK-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000407965552 136208615 /nfs/dbraw/zinc/20/86/15/136208615.db2.gz WBFPHSFNOGNRSX-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000234527724 343975844 /nfs/dbraw/zinc/97/58/44/343975844.db2.gz WFDACVXQUGGPFD-ZJUUUORDSA-N 1 2 213.277 0.707 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C(=O)OC)[nH+]1 ZINC000602063001 349436830 /nfs/dbraw/zinc/43/68/30/349436830.db2.gz OILHAMSGGHCIJJ-ZETCQYMHSA-N 1 2 239.275 0.192 20 0 BCADLO Cc1cc(C)n(CC[NH2+][C@@H](C)c2ncn(C)n2)n1 ZINC000275461296 177928573 /nfs/dbraw/zinc/92/85/73/177928573.db2.gz BWRFYGJVLXXQNH-NSHDSACASA-N 1 2 248.334 0.979 20 0 BCADLO C[C@H](CNC(=O)Cc1cc[nH]n1)Cn1cc[nH+]c1 ZINC000267107237 538914746 /nfs/dbraw/zinc/91/47/46/538914746.db2.gz MKZLGZDZUJLCEI-SNVBAGLBSA-N 1 2 247.302 0.601 20 0 BCADLO COCC[NH+]1CCN(C(C)(C)CO)CC1 ZINC000605420819 343976571 /nfs/dbraw/zinc/97/65/71/343976571.db2.gz CKQLQAKUJCVFHB-UHFFFAOYSA-N 1 2 216.325 0.021 20 0 BCADLO COc1ncc(C[NH2+]Cc2cn(C)nn2)s1 ZINC000389821849 398140655 /nfs/dbraw/zinc/14/06/55/398140655.db2.gz KTNDCOKEYJSRHS-UHFFFAOYSA-N 1 2 239.304 0.570 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602125166 349456632 /nfs/dbraw/zinc/45/66/32/349456632.db2.gz ZONIKYFNJOOTMU-BWZBUEFSSA-N 1 2 237.259 0.191 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602125166 349456635 /nfs/dbraw/zinc/45/66/35/349456635.db2.gz ZONIKYFNJOOTMU-BWZBUEFSSA-N 1 2 237.259 0.191 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)[C@H](C)CCO ZINC000649863698 398147241 /nfs/dbraw/zinc/14/72/41/398147241.db2.gz MJNDCFRLSPPLHD-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)[C@H](C)CCO ZINC000649863698 398147245 /nfs/dbraw/zinc/14/72/45/398147245.db2.gz MJNDCFRLSPPLHD-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCC(CC)([NH2+]C[C@H](O)COC)C(=O)OC ZINC000309704460 168331460 /nfs/dbraw/zinc/33/14/60/168331460.db2.gz NXUPHIJGGPUIGI-VIFPVBQESA-N 1 2 233.308 0.315 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)n(C)n1 ZINC000356017259 178013298 /nfs/dbraw/zinc/01/32/98/178013298.db2.gz UDEJLBUBWDYRLA-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NC(C)(C)C)no1 ZINC000044296670 178018788 /nfs/dbraw/zinc/01/87/88/178018788.db2.gz LPYNKEBUIBAWCK-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000649893632 398168486 /nfs/dbraw/zinc/16/84/86/398168486.db2.gz MLSZILWPLSRJIQ-GFCCVEGCSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000649893632 398168490 /nfs/dbraw/zinc/16/84/90/398168490.db2.gz MLSZILWPLSRJIQ-GFCCVEGCSA-N 1 2 236.319 0.645 20 0 BCADLO CCCn1c(C)nnc1C[NH+]1CCC(O)CC1 ZINC000305739933 136215410 /nfs/dbraw/zinc/21/54/10/136215410.db2.gz NAJQLZHXLAWDHJ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000527537596 398172064 /nfs/dbraw/zinc/17/20/64/398172064.db2.gz DREGINKGKYASCQ-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000527537596 398172074 /nfs/dbraw/zinc/17/20/74/398172074.db2.gz DREGINKGKYASCQ-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO COc1cc(C[NH+]2CCOCC2)ccn1 ZINC000339865956 398176912 /nfs/dbraw/zinc/17/69/12/398176912.db2.gz MDYZMJBVRXRVDK-UHFFFAOYSA-N 1 2 208.261 0.922 20 0 BCADLO COCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882686 398160513 /nfs/dbraw/zinc/16/05/13/398160513.db2.gz ZKDVIZXQQYVIIH-GFCCVEGCSA-N 1 2 239.319 0.830 20 0 BCADLO COCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882686 398160519 /nfs/dbraw/zinc/16/05/19/398160519.db2.gz ZKDVIZXQQYVIIH-GFCCVEGCSA-N 1 2 239.319 0.830 20 0 BCADLO CCC(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000023379460 168337093 /nfs/dbraw/zinc/33/70/93/168337093.db2.gz RNHHKVOJGIZFBB-UHFFFAOYSA-N 1 2 228.336 0.871 20 0 BCADLO CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000558656239 398187749 /nfs/dbraw/zinc/18/77/49/398187749.db2.gz UYLTXBLIBAYKAI-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC(F)(F)C1 ZINC000313297255 398190106 /nfs/dbraw/zinc/19/01/06/398190106.db2.gz QQDAWRWPZISXSG-UHFFFAOYSA-N 1 2 230.218 0.913 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC(F)(F)C1 ZINC000313297255 398190109 /nfs/dbraw/zinc/19/01/09/398190109.db2.gz QQDAWRWPZISXSG-UHFFFAOYSA-N 1 2 230.218 0.913 20 0 BCADLO Cc1cc(N)nc(SCC2OCCO2)[nH+]1 ZINC000133370202 178108827 /nfs/dbraw/zinc/10/88/27/178108827.db2.gz KYKOEHBYEUEWNW-UHFFFAOYSA-N 1 2 227.289 0.832 20 0 BCADLO Cc1cc(N)nc(S[C@@H]2CCCNC2=O)[nH+]1 ZINC000309242578 178109111 /nfs/dbraw/zinc/10/91/11/178109111.db2.gz BBTQUPGQJOFMEL-SSDOTTSWSA-N 1 2 238.316 0.738 20 0 BCADLO Cc1cc(N)nc(SCCC(N)=O)[nH+]1 ZINC000026512914 178110273 /nfs/dbraw/zinc/11/02/73/178110273.db2.gz DKRTUKRLCBXIPZ-UHFFFAOYSA-N 1 2 212.278 0.335 20 0 BCADLO Cc1cc(N2CCCNC(=O)[C@H]2C)nc[nH+]1 ZINC000302748507 178114059 /nfs/dbraw/zinc/11/40/59/178114059.db2.gz GEADMHNMBVTWFE-SECBINFHSA-N 1 2 220.276 0.500 20 0 BCADLO Cc1cc(N2CCOC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000295899819 178116297 /nfs/dbraw/zinc/11/62/97/178116297.db2.gz CLVWKFYNKOVROM-NSHDSACASA-N 1 2 249.314 0.860 20 0 BCADLO CN1CC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000116270820 136219042 /nfs/dbraw/zinc/21/90/42/136219042.db2.gz HWPMTJQIYFAMQW-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000116270820 136219043 /nfs/dbraw/zinc/21/90/43/136219043.db2.gz HWPMTJQIYFAMQW-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO Cc1cc(N2CC[C@@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000264627186 178118273 /nfs/dbraw/zinc/11/82/73/178118273.db2.gz JZGDJDSOQJMBOD-SNVBAGLBSA-N 1 2 246.314 0.974 20 0 BCADLO Cc1cc(N2C[C@H](O)C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000364299316 178122312 /nfs/dbraw/zinc/12/23/12/178122312.db2.gz IXKVZVCNOGVPFU-WDEREUQCSA-N 1 2 249.314 0.594 20 0 BCADLO Cc1cc(C[N@@H+](CCO)C[C@@H](C)O)no1 ZINC000336706107 398204576 /nfs/dbraw/zinc/20/45/76/398204576.db2.gz RDRGPPWXOWBLFR-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cc(C[N@H+](CCO)C[C@@H](C)O)no1 ZINC000336706107 398204583 /nfs/dbraw/zinc/20/45/83/398204583.db2.gz RDRGPPWXOWBLFR-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](CCO)C2CC2)on1 ZINC000048347576 178130726 /nfs/dbraw/zinc/13/07/26/178130726.db2.gz IDZTZMVHVPDOLN-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](CCO)C2CC2)on1 ZINC000048347576 178130727 /nfs/dbraw/zinc/13/07/27/178130727.db2.gz IDZTZMVHVPDOLN-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2n[nH]cc2C)C1 ZINC000425375926 398219812 /nfs/dbraw/zinc/21/98/12/398219812.db2.gz VCXIFOAITKLOFM-UHFFFAOYSA-N 1 2 223.276 0.713 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCCC(=O)N2)cc[nH+]1 ZINC000270398957 178146120 /nfs/dbraw/zinc/14/61/20/178146120.db2.gz DSHMBENEJISXAO-JTQLQIEISA-N 1 2 233.271 0.997 20 0 BCADLO CC(C)(O)C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000426733173 398219920 /nfs/dbraw/zinc/21/99/20/398219920.db2.gz WXBRFAWURYWKCC-UHFFFAOYSA-N 1 2 226.280 0.246 20 0 BCADLO CC(C)(O)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000426733173 398219922 /nfs/dbraw/zinc/21/99/22/398219922.db2.gz WXBRFAWURYWKCC-UHFFFAOYSA-N 1 2 226.280 0.246 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000339177573 187328632 /nfs/dbraw/zinc/32/86/32/187328632.db2.gz VGBSATKVMWNILB-TXEJJXNPSA-N 1 2 249.314 0.743 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1ncccn1 ZINC000192141941 136220945 /nfs/dbraw/zinc/22/09/45/136220945.db2.gz OFDICVDPKLCVDI-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ncccn1 ZINC000192141941 136220946 /nfs/dbraw/zinc/22/09/46/136220946.db2.gz OFDICVDPKLCVDI-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2CCOC2(C)C)n1 ZINC000336895571 398218922 /nfs/dbraw/zinc/21/89/22/398218922.db2.gz NBWOOTPTYPDNMQ-MRVPVSSYSA-N 1 2 210.281 0.472 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000331310930 398218966 /nfs/dbraw/zinc/21/89/66/398218966.db2.gz UUYQHGKRDDSPGJ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000331310930 398218970 /nfs/dbraw/zinc/21/89/70/398218970.db2.gz UUYQHGKRDDSPGJ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1 ZINC000004728851 343984652 /nfs/dbraw/zinc/98/46/52/343984652.db2.gz IUYMYABRIOMGTD-SECBINFHSA-N 1 2 204.229 0.586 20 0 BCADLO Cc1cc(NCC(=O)NC(C)C)nc[nH+]1 ZINC000040727226 178154299 /nfs/dbraw/zinc/15/42/99/178154299.db2.gz FULRKEOASJJFSH-UHFFFAOYSA-N 1 2 208.265 0.722 20 0 BCADLO Cc1cc(NCC(=O)NC2CC2)nc[nH+]1 ZINC000040727228 178155369 /nfs/dbraw/zinc/15/53/69/178155369.db2.gz YUHNZBXOEBORCY-UHFFFAOYSA-N 1 2 206.249 0.476 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)C ZINC000336767378 136221357 /nfs/dbraw/zinc/22/13/57/136221357.db2.gz SZHWPVDLKAVIBQ-YUMQZZPRSA-N 1 2 211.265 0.802 20 0 BCADLO Cc1cc(NCCNC(=O)C2CC2)nc[nH+]1 ZINC000123121670 178161145 /nfs/dbraw/zinc/16/11/45/178161145.db2.gz HISDBVFDKLYHGB-UHFFFAOYSA-N 1 2 220.276 0.723 20 0 BCADLO Cc1cc(NC[C@H](O)[C@H]2CCOC2)nc[nH+]1 ZINC000309701246 178168487 /nfs/dbraw/zinc/16/84/87/178168487.db2.gz MRNJORNCGZNCIS-UWVGGRQHSA-N 1 2 223.276 0.594 20 0 BCADLO Cc1nc(N[C@H]2CC23CCOCC3)nc(N)[nH+]1 ZINC000386863442 398220891 /nfs/dbraw/zinc/22/08/91/398220891.db2.gz FVTPSSLJHVMXSQ-QMMMGPOBSA-N 1 2 235.291 0.574 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CC23CCOCC3)[nH+]1 ZINC000386863442 398220892 /nfs/dbraw/zinc/22/08/92/398220892.db2.gz FVTPSSLJHVMXSQ-QMMMGPOBSA-N 1 2 235.291 0.574 20 0 BCADLO Cc1cc(NCc2[nH+]ccn2C)n2ncnc2n1 ZINC000071140342 178176581 /nfs/dbraw/zinc/17/65/81/178176581.db2.gz IZZBMSPLFPLAMY-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO Cc1cc(N[C@H]2CCCNC2=O)nc[nH+]1 ZINC000050396562 178188663 /nfs/dbraw/zinc/18/86/63/178188663.db2.gz OPNAUGPPLGZAJK-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2ccn(C)n2)C1 ZINC000576411391 365590814 /nfs/dbraw/zinc/59/08/14/365590814.db2.gz FACMJBQHANHIIY-QMMMGPOBSA-N 1 2 222.292 0.301 20 0 BCADLO Cc1cc(N[C@@H](CO)[C@@H]2CCCO2)nc[nH+]1 ZINC000309858312 178181152 /nfs/dbraw/zinc/18/11/52/178181152.db2.gz LLJAUJUHCAEABZ-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000264059627 398223833 /nfs/dbraw/zinc/22/38/33/398223833.db2.gz AUDCLSBMBHPEIY-HTQZYQBOSA-N 1 2 208.265 0.628 20 0 BCADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@H](C)O ZINC000387316061 398229729 /nfs/dbraw/zinc/22/97/29/398229729.db2.gz BWUWJYAQEAFVNW-FSPLSTOPSA-N 1 2 211.269 0.164 20 0 BCADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)[C@H](C)O ZINC000387316061 398229731 /nfs/dbraw/zinc/22/97/31/398229731.db2.gz BWUWJYAQEAFVNW-FSPLSTOPSA-N 1 2 211.269 0.164 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276475609 538932175 /nfs/dbraw/zinc/93/21/75/538932175.db2.gz RDQYAIHDXRBLRM-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276475609 538932176 /nfs/dbraw/zinc/93/21/76/538932176.db2.gz RDQYAIHDXRBLRM-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000276522431 538932986 /nfs/dbraw/zinc/93/29/86/538932986.db2.gz CGQSLWYAONRXCI-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000276522431 538932987 /nfs/dbraw/zinc/93/29/87/538932987.db2.gz CGQSLWYAONRXCI-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H](F)C[C@H]1CO ZINC000334234066 136224596 /nfs/dbraw/zinc/22/45/96/136224596.db2.gz YXDGLHUYFLQSPJ-IUCAKERBSA-N 1 2 213.256 0.325 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C)[C@H](O)C(F)(F)F ZINC000631234029 361778077 /nfs/dbraw/zinc/77/80/77/361778077.db2.gz CMQWVFGASLHQGD-SVRRBLITSA-N 1 2 237.225 0.821 20 0 BCADLO Cc1cc(NC(=O)C(C)(C)C(N)=O)cc[nH+]1 ZINC000683484796 488174366 /nfs/dbraw/zinc/17/43/66/488174366.db2.gz VTTWATMFWPBONA-UHFFFAOYSA-N 1 2 221.260 0.262 20 0 BCADLO NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000605434265 343989194 /nfs/dbraw/zinc/98/91/94/343989194.db2.gz UVNVYCYQIUBFNF-UHFFFAOYSA-N 1 2 217.228 0.736 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H](O)C(F)(F)F ZINC000631233509 361765785 /nfs/dbraw/zinc/76/57/85/361765785.db2.gz APLISXNCLSGOKZ-XPUUQOCRSA-N 1 2 237.225 0.821 20 0 BCADLO COC[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280486136 538937364 /nfs/dbraw/zinc/93/73/64/538937364.db2.gz FAGIEKWFCZJPKM-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO COC[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280486136 538937365 /nfs/dbraw/zinc/93/73/65/538937365.db2.gz FAGIEKWFCZJPKM-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO O=C(CCc1cn[nH]c1)NCCCn1cc[nH+]c1 ZINC000629943697 361789524 /nfs/dbraw/zinc/78/95/24/361789524.db2.gz XFEVSXBLDOFGAV-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CCC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279726425 538935959 /nfs/dbraw/zinc/93/59/59/538935959.db2.gz CFMJLEYYQIKWRY-JTQLQIEISA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279726425 538935960 /nfs/dbraw/zinc/93/59/60/538935960.db2.gz CFMJLEYYQIKWRY-JTQLQIEISA-N 1 2 225.292 0.620 20 0 BCADLO CC(C)OCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000281719624 538939351 /nfs/dbraw/zinc/93/93/51/538939351.db2.gz XATGBDUFJIIJBZ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC(C)OCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000281719624 538939354 /nfs/dbraw/zinc/93/93/54/538939354.db2.gz XATGBDUFJIIJBZ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000281089694 538938325 /nfs/dbraw/zinc/93/83/25/538938325.db2.gz FTKNPEURMHVERO-NSHDSACASA-N 1 2 237.303 0.884 20 0 BCADLO COC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000281089694 538938326 /nfs/dbraw/zinc/93/83/26/538938326.db2.gz FTKNPEURMHVERO-NSHDSACASA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1ccncc1 ZINC000076417338 398239513 /nfs/dbraw/zinc/23/95/13/398239513.db2.gz ZALNLFPZZNIKKH-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1ccncc1 ZINC000076417338 398239515 /nfs/dbraw/zinc/23/95/15/398239515.db2.gz ZALNLFPZZNIKKH-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1ccccn1 ZINC000076417316 398239636 /nfs/dbraw/zinc/23/96/36/398239636.db2.gz XKVWVBXMOXXJHW-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1ccccn1 ZINC000076417316 398239640 /nfs/dbraw/zinc/23/96/40/398239640.db2.gz XKVWVBXMOXXJHW-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000286057083 538943314 /nfs/dbraw/zinc/94/33/14/538943314.db2.gz QVWRULKXWRRPKC-PHIMTYICSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000286057083 538943316 /nfs/dbraw/zinc/94/33/16/538943316.db2.gz QVWRULKXWRRPKC-PHIMTYICSA-N 1 2 237.303 0.978 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285647255 538941935 /nfs/dbraw/zinc/94/19/35/538941935.db2.gz MAUUGQIGGOMFTQ-JGVFFNPUSA-N 1 2 210.281 0.585 20 0 BCADLO C[C@@H](C(=O)N1CCC1(C)C)[NH+]1CCOCC1 ZINC000576646646 365649018 /nfs/dbraw/zinc/64/90/18/365649018.db2.gz GAFXBYCOXAMKGT-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cc(NCc2c[nH+]cn2C)n2ncnc2n1 ZINC000291110589 538947596 /nfs/dbraw/zinc/94/75/96/538947596.db2.gz LKHQOPFJPSGGDS-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CCCN(C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000290279269 538945933 /nfs/dbraw/zinc/94/59/33/538945933.db2.gz VIIJMAVDWZBREV-UHFFFAOYSA-N 1 2 246.336 0.096 20 0 BCADLO CNC(=O)c1cccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000428133675 398258410 /nfs/dbraw/zinc/25/84/10/398258410.db2.gz YPNPPAWXRBOSNX-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO Cn1cc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291138739 538947183 /nfs/dbraw/zinc/94/71/83/538947183.db2.gz FSIGYCDSWTUPOH-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000291183865 538947525 /nfs/dbraw/zinc/94/75/25/538947525.db2.gz CGODUNRMDQUSLM-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CCC[C@@H](C[NH+]1CCS(=O)CC1)OC ZINC000602462217 349556535 /nfs/dbraw/zinc/55/65/35/349556535.db2.gz AXYOWCMELLGNNR-JTQLQIEISA-N 1 2 219.350 0.866 20 0 BCADLO Cc1nc2ccc(NCc3c[nH+]cn3C)nn2n1 ZINC000291190146 538947842 /nfs/dbraw/zinc/94/78/42/538947842.db2.gz SRQAWRFZZHVIDB-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CC(C)OCCC(=O)NCc1c[nH+]cn1C ZINC000291272071 538947850 /nfs/dbraw/zinc/94/78/50/538947850.db2.gz QFSFUAAXPDYLGL-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000180585564 538958108 /nfs/dbraw/zinc/95/81/08/538958108.db2.gz YYBFXWXGLKWRAT-SCZZXKLOSA-N 1 2 236.319 0.990 20 0 BCADLO CCC[C@@H]([NH2+]CCOC)C(=O)OCC ZINC000053257663 346849428 /nfs/dbraw/zinc/84/94/28/346849428.db2.gz NKIKIWBGLHHUDS-SECBINFHSA-N 1 2 203.282 0.954 20 0 BCADLO CCC[C@H]([NH2+]CCOC)C(=O)OCC ZINC000053257662 346849488 /nfs/dbraw/zinc/84/94/88/346849488.db2.gz NKIKIWBGLHHUDS-VIFPVBQESA-N 1 2 203.282 0.954 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1nccn1C ZINC000181287906 538960534 /nfs/dbraw/zinc/96/05/34/538960534.db2.gz PTFWZVBYTGPSHL-SECBINFHSA-N 1 2 236.319 0.597 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189087591 346857155 /nfs/dbraw/zinc/85/71/55/346857155.db2.gz DUFYCFMFAXJDHC-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189087591 346857158 /nfs/dbraw/zinc/85/71/58/346857158.db2.gz DUFYCFMFAXJDHC-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO COC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC000600157377 342692618 /nfs/dbraw/zinc/69/26/18/342692618.db2.gz VWYVTIBIUNDPJS-SECBINFHSA-N 1 2 241.291 0.304 20 0 BCADLO COC[C@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC000600157378 342692852 /nfs/dbraw/zinc/69/28/52/342692852.db2.gz VWYVTIBIUNDPJS-VIFPVBQESA-N 1 2 241.291 0.304 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)[nH+]1 ZINC000600173876 342695653 /nfs/dbraw/zinc/69/56/53/342695653.db2.gz QESSWYHBEZJATB-UTEYVOQOSA-N 1 2 225.317 0.423 20 0 BCADLO C[C@H]1C(=O)NCCCN1Cc1[nH+]ccn1C ZINC000189105209 346859197 /nfs/dbraw/zinc/85/91/97/346859197.db2.gz OJCKBHVWATUTLQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000335065408 398276494 /nfs/dbraw/zinc/27/64/94/398276494.db2.gz QVFBOIZXUYFFDL-JTQLQIEISA-N 1 2 213.256 0.624 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000335065408 398276497 /nfs/dbraw/zinc/27/64/97/398276497.db2.gz QVFBOIZXUYFFDL-JTQLQIEISA-N 1 2 213.256 0.624 20 0 BCADLO COC(=O)C[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000348734288 136235516 /nfs/dbraw/zinc/23/55/16/136235516.db2.gz IAYLRESYSQRORS-MRVPVSSYSA-N 1 2 239.275 0.615 20 0 BCADLO COC(=O)C[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000348734288 136235517 /nfs/dbraw/zinc/23/55/17/136235517.db2.gz IAYLRESYSQRORS-MRVPVSSYSA-N 1 2 239.275 0.615 20 0 BCADLO COCc1nc(C[NH2+][C@@H](COC)C2CC2)no1 ZINC000183442928 538966954 /nfs/dbraw/zinc/96/69/54/538966954.db2.gz LMJWVJGTGOZBTP-VIFPVBQESA-N 1 2 241.291 0.731 20 0 BCADLO Cc1cc(CNC(=O)[C@H]2CCNC2=O)cc(C)[nH+]1 ZINC000616363357 342721580 /nfs/dbraw/zinc/72/15/80/342721580.db2.gz QEUDFKYDMDJBAR-NSHDSACASA-N 1 2 247.298 0.451 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1cncc(C)n1 ZINC000402599411 342731485 /nfs/dbraw/zinc/73/14/85/342731485.db2.gz JVPUKPCCSQMPHN-UHFFFAOYSA-N 1 2 237.303 0.822 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1cncc(C)n1 ZINC000402599411 342731486 /nfs/dbraw/zinc/73/14/86/342731486.db2.gz JVPUKPCCSQMPHN-UHFFFAOYSA-N 1 2 237.303 0.822 20 0 BCADLO CC(C)SCC(=O)N1CC[NH+](CCO)CC1 ZINC000035200374 342734229 /nfs/dbraw/zinc/73/42/29/342734229.db2.gz KUNVUCSXQUKFHO-UHFFFAOYSA-N 1 2 246.376 0.265 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC1CSC1 ZINC000616395211 342762802 /nfs/dbraw/zinc/76/28/02/342762802.db2.gz MMMWKPWRCQWVLQ-UHFFFAOYSA-N 1 2 225.317 0.752 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@](O)(CC)C2)[nH]1 ZINC000332736405 342774482 /nfs/dbraw/zinc/77/44/82/342774482.db2.gz WKOFUETZVHXJBF-NSHDSACASA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@](O)(CC)C2)[nH]1 ZINC000332736405 342774484 /nfs/dbraw/zinc/77/44/84/342774484.db2.gz WKOFUETZVHXJBF-NSHDSACASA-N 1 2 224.308 0.714 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751396 398286851 /nfs/dbraw/zinc/28/68/51/398286851.db2.gz QCCVQVCYDBYIMN-BQBZGAKWSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751396 398286852 /nfs/dbraw/zinc/28/68/52/398286852.db2.gz QCCVQVCYDBYIMN-BQBZGAKWSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751399 398286877 /nfs/dbraw/zinc/28/68/77/398286877.db2.gz QCCVQVCYDBYIMN-RQJHMYQMSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751399 398286879 /nfs/dbraw/zinc/28/68/79/398286879.db2.gz QCCVQVCYDBYIMN-RQJHMYQMSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@H](NC(=O)CCc1cn[nH]c1)c1[nH+]ccn1C ZINC000630015606 361902750 /nfs/dbraw/zinc/90/27/50/361902750.db2.gz BIJUBWIUADOPAM-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO Cn1nnc2cc(C[NH+]3CC(C)(O)C3)ccc21 ZINC000639254117 398285757 /nfs/dbraw/zinc/28/57/57/398285757.db2.gz LAWRMKASBXFSFY-UHFFFAOYSA-N 1 2 232.287 0.535 20 0 BCADLO C[C@@](O)(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000630034111 361909322 /nfs/dbraw/zinc/90/93/22/361909322.db2.gz ONXFGXZJUZCSCU-NWDGAFQWSA-N 1 2 229.320 0.231 20 0 BCADLO CCN1CC[N@H+](CCOCC2CC2)CC1=O ZINC000348813240 136239019 /nfs/dbraw/zinc/23/90/19/136239019.db2.gz FZBOGONKALFSPG-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO CCN1CC[N@@H+](CCOCC2CC2)CC1=O ZINC000348813240 136239020 /nfs/dbraw/zinc/23/90/20/136239020.db2.gz FZBOGONKALFSPG-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000581834532 342810663 /nfs/dbraw/zinc/81/06/63/342810663.db2.gz RZHNJTNIAFLAKM-LDYMZIIASA-N 1 2 234.303 0.709 20 0 BCADLO COCC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649492113 398290547 /nfs/dbraw/zinc/29/05/47/398290547.db2.gz LJJAEZTUVVYROC-UHFFFAOYSA-N 1 2 209.293 0.908 20 0 BCADLO COCC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649492113 398290550 /nfs/dbraw/zinc/29/05/50/398290550.db2.gz LJJAEZTUVVYROC-UHFFFAOYSA-N 1 2 209.293 0.908 20 0 BCADLO COC1(C)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000308861130 536592275 /nfs/dbraw/zinc/59/22/75/536592275.db2.gz VHTPXCOXIGSFGZ-UHFFFAOYSA-N 1 2 228.683 0.937 20 0 BCADLO Cc1nc(N[C@@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000189963167 538986199 /nfs/dbraw/zinc/98/61/99/538986199.db2.gz MSCDPNNOHVOXDZ-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO C[C@@H]1OCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000191552493 538992570 /nfs/dbraw/zinc/99/25/70/538992570.db2.gz XUKDDRFPMIRGBZ-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1O ZINC000400096699 529398226 /nfs/dbraw/zinc/39/82/26/529398226.db2.gz XQXZDPCYZUJEDA-RKDXNWHRSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1O ZINC000400096699 529398227 /nfs/dbraw/zinc/39/82/27/529398227.db2.gz XQXZDPCYZUJEDA-RKDXNWHRSA-N 1 2 210.281 0.316 20 0 BCADLO COCCN1CC[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000383050084 539011149 /nfs/dbraw/zinc/01/11/49/539011149.db2.gz KIXRNXZJZGBVGQ-LLVKDONJSA-N 1 2 239.319 0.793 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000051821511 539011675 /nfs/dbraw/zinc/01/16/75/539011675.db2.gz HPQOOBAMIHTBLH-SECBINFHSA-N 1 2 247.298 0.736 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000051821511 539011677 /nfs/dbraw/zinc/01/16/77/539011677.db2.gz HPQOOBAMIHTBLH-SECBINFHSA-N 1 2 247.298 0.736 20 0 BCADLO C[C@H]1OCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000562276970 323014582 /nfs/dbraw/zinc/01/45/82/323014582.db2.gz ZHQGYGFMXOBHSU-VHSXEESVSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1C ZINC000046887014 538997534 /nfs/dbraw/zinc/99/75/34/538997534.db2.gz LMWIAPUWNBGVKM-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000390160898 539020181 /nfs/dbraw/zinc/02/01/81/539020181.db2.gz ZPPPVQBIPIOPJY-IMTBSYHQSA-N 1 2 220.276 0.470 20 0 BCADLO O=c1[nH]nc(C[NH2+]C2(CO)CCCCC2)[nH]1 ZINC000390782071 539027285 /nfs/dbraw/zinc/02/72/85/539027285.db2.gz KSFOZNFVIHKAOH-UHFFFAOYSA-N 1 2 226.280 0.295 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387796768 539014183 /nfs/dbraw/zinc/01/41/83/539014183.db2.gz NBCFGRIIDDWXAE-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387796768 539014184 /nfs/dbraw/zinc/01/41/84/539014184.db2.gz NBCFGRIIDDWXAE-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388028931 539014285 /nfs/dbraw/zinc/01/42/85/539014285.db2.gz KOBVJUXUCRXWCB-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388028931 539014286 /nfs/dbraw/zinc/01/42/86/539014286.db2.gz KOBVJUXUCRXWCB-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@@H](O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754861 361992342 /nfs/dbraw/zinc/99/23/42/361992342.db2.gz QJGFHQINSHDMHN-JTQLQIEISA-N 1 2 249.318 0.999 20 0 BCADLO CC(=O)Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000640754349 361992575 /nfs/dbraw/zinc/99/25/75/361992575.db2.gz WLCPDHZTYHCJSN-UHFFFAOYSA-N 1 2 222.292 0.853 20 0 BCADLO CCO[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000042423243 361996953 /nfs/dbraw/zinc/99/69/53/361996953.db2.gz GYJCDKQGBXYWER-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000042423243 361996958 /nfs/dbraw/zinc/99/69/58/361996958.db2.gz GYJCDKQGBXYWER-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO OCC[NH+](CCO)Cc1cc2n(n1)CCCC2 ZINC000649508885 398301707 /nfs/dbraw/zinc/30/17/07/398301707.db2.gz IHSPKXVTRJXVAU-UHFFFAOYSA-N 1 2 239.319 0.006 20 0 BCADLO C[N@H+]1CC=C(CNc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000392262703 398316930 /nfs/dbraw/zinc/31/69/30/398316930.db2.gz JJRKAFPSQSLETL-UHFFFAOYSA-N 1 2 247.298 0.876 20 0 BCADLO C[N@@H+]1CC=C(CNc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000392262703 398316931 /nfs/dbraw/zinc/31/69/31/398316931.db2.gz JJRKAFPSQSLETL-UHFFFAOYSA-N 1 2 247.298 0.876 20 0 BCADLO OCCC[N@H+](CCO)Cc1ncccc1Cl ZINC000625158968 342897176 /nfs/dbraw/zinc/89/71/76/342897176.db2.gz SAJLKWIDQMRPIP-UHFFFAOYSA-N 1 2 244.722 0.912 20 0 BCADLO OCCC[N@@H+](CCO)Cc1ncccc1Cl ZINC000625158968 342897178 /nfs/dbraw/zinc/89/71/78/342897178.db2.gz SAJLKWIDQMRPIP-UHFFFAOYSA-N 1 2 244.722 0.912 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625166511 342899023 /nfs/dbraw/zinc/89/90/23/342899023.db2.gz GQSOUFIMCUOLDE-VIFPVBQESA-N 1 2 243.332 0.511 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625166511 342899024 /nfs/dbraw/zinc/89/90/24/342899024.db2.gz GQSOUFIMCUOLDE-VIFPVBQESA-N 1 2 243.332 0.511 20 0 BCADLO NC(=O)C[N@H+](Cc1cnns1)C1CCCC1 ZINC000625135013 342885994 /nfs/dbraw/zinc/88/59/94/342885994.db2.gz BHOIOBGLQZISFU-UHFFFAOYSA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[N@@H+](Cc1cnns1)C1CCCC1 ZINC000625135013 342885995 /nfs/dbraw/zinc/88/59/95/342885995.db2.gz BHOIOBGLQZISFU-UHFFFAOYSA-N 1 2 240.332 0.768 20 0 BCADLO CC1CCC(O)(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000232837923 342886363 /nfs/dbraw/zinc/88/63/63/342886363.db2.gz IEUWYKNJNRAAFF-UHFFFAOYSA-N 1 2 239.323 0.241 20 0 BCADLO COC[C@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142643 342891719 /nfs/dbraw/zinc/89/17/19/342891719.db2.gz GNNGPSCJKRLKMC-QMMMGPOBSA-N 1 2 247.320 0.112 20 0 BCADLO CC(C)C(=O)NCC[NH2+]Cc1ccn[nH]1 ZINC000036900146 342913047 /nfs/dbraw/zinc/91/30/47/342913047.db2.gz HJDSQOHZNQMJJG-UHFFFAOYSA-N 1 2 210.281 0.272 20 0 BCADLO CC[C@H]([NH2+]CCCc1cnn(C)c1)C(=O)OC ZINC000192844372 398323855 /nfs/dbraw/zinc/32/38/55/398323855.db2.gz CIYKQCHQQJUDHC-NSHDSACASA-N 1 2 239.319 0.894 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000037187539 342925362 /nfs/dbraw/zinc/92/53/62/342925362.db2.gz PXCIRGBRSYDCRK-IUCAKERBSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H]1CO ZINC000088619573 534926935 /nfs/dbraw/zinc/92/69/35/534926935.db2.gz FWKSDGDJGGEGHP-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H]1CO ZINC000088619573 534926938 /nfs/dbraw/zinc/92/69/38/534926938.db2.gz FWKSDGDJGGEGHP-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602631426 349648395 /nfs/dbraw/zinc/64/83/95/349648395.db2.gz DMMKJWAXMULBAX-UWVGGRQHSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602632610 349649337 /nfs/dbraw/zinc/64/93/37/349649337.db2.gz CUMOILMWEPHALY-UTLUCORTSA-N 1 2 242.319 0.585 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000602633306 349649890 /nfs/dbraw/zinc/64/98/90/349649890.db2.gz GZECPEOPHGJYKB-GUBZILKMSA-N 1 2 231.292 0.189 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2noc(COC)n2)C1 ZINC000495253175 529443156 /nfs/dbraw/zinc/44/31/56/529443156.db2.gz YYBCSMDWBSZCPO-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000495253175 529443160 /nfs/dbraw/zinc/44/31/60/529443160.db2.gz YYBCSMDWBSZCPO-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO Cn1cc(C[NH+]2CC3(C2)CCOC3)nn1 ZINC000354764725 398329653 /nfs/dbraw/zinc/32/96/53/398329653.db2.gz RKWJICBFBLJZGY-UHFFFAOYSA-N 1 2 208.265 0.037 20 0 BCADLO C[NH+](C)CCn1[nH]c(=O)c2c(c1=O)CCCC2 ZINC000634589049 342935255 /nfs/dbraw/zinc/93/52/55/342935255.db2.gz MNUQZLKKUPXYSL-UHFFFAOYSA-N 1 2 237.303 0.389 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)n1 ZINC000351687136 136249524 /nfs/dbraw/zinc/24/95/24/136249524.db2.gz MFFYAELVAGIOCW-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351687136 136249525 /nfs/dbraw/zinc/24/95/25/136249525.db2.gz MFFYAELVAGIOCW-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nc(NC[C@@H](O)C(F)(F)F)nc(N)[nH+]1 ZINC000304455069 398336408 /nfs/dbraw/zinc/33/64/08/398336408.db2.gz KWRQKPQMSVADHK-SCSAIBSYSA-N 1 2 237.185 0.097 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)C(F)(F)F)[nH+]1 ZINC000304455069 398336409 /nfs/dbraw/zinc/33/64/09/398336409.db2.gz KWRQKPQMSVADHK-SCSAIBSYSA-N 1 2 237.185 0.097 20 0 BCADLO CCCc1noc(C[N@H+](C)CCOCCO)n1 ZINC000310069170 398332026 /nfs/dbraw/zinc/33/20/26/398332026.db2.gz YIJUALRJMSQUBG-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCCc1noc(C[N@@H+](C)CCOCCO)n1 ZINC000310069170 398332027 /nfs/dbraw/zinc/33/20/27/398332027.db2.gz YIJUALRJMSQUBG-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CC[C@@H](CCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493222533 529463780 /nfs/dbraw/zinc/46/37/80/529463780.db2.gz BLSIPZGLVZEPHE-FSIBCCDJSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(C)(O)C2)cn1C ZINC000602688604 349679173 /nfs/dbraw/zinc/67/91/73/349679173.db2.gz LPXJVEOCRDXAMK-UHFFFAOYSA-N 1 2 238.287 0.378 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](O)C(F)F ZINC000234788261 342942371 /nfs/dbraw/zinc/94/23/71/342942371.db2.gz KKQJHPYRKRICSZ-BYPYZUCNSA-N 1 2 234.206 0.105 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](O)C(F)F ZINC000234788261 342942373 /nfs/dbraw/zinc/94/23/73/342942373.db2.gz KKQJHPYRKRICSZ-BYPYZUCNSA-N 1 2 234.206 0.105 20 0 BCADLO O=c1c2c([nH]n1-c1ccncc1)CC[NH2+]C2 ZINC000634591586 342942459 /nfs/dbraw/zinc/94/24/59/342942459.db2.gz HPZRTHYMAFWQQT-VIFPVBQESA-N 1 2 216.244 0.394 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC=CC1 ZINC000636746360 349678632 /nfs/dbraw/zinc/67/86/32/349678632.db2.gz INIJASDZAUFFOE-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CC=CC1 ZINC000636746360 349678636 /nfs/dbraw/zinc/67/86/36/349678636.db2.gz INIJASDZAUFFOE-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO COC(=O)[C@@H]1CCCCN1Cc1c[nH+]cn1C ZINC000149142652 398345082 /nfs/dbraw/zinc/34/50/82/398345082.db2.gz XXWVAELTMZUXHY-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000351795308 136253250 /nfs/dbraw/zinc/25/32/50/136253250.db2.gz KZQOGULUSSWRIO-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@H]1CCNC1=O ZINC000351795308 136253251 /nfs/dbraw/zinc/25/32/51/136253251.db2.gz KZQOGULUSSWRIO-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000351817415 136255427 /nfs/dbraw/zinc/25/54/27/136255427.db2.gz ALJYKHYNRAOVBB-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000351817415 136255428 /nfs/dbraw/zinc/25/54/28/136255428.db2.gz ALJYKHYNRAOVBB-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cn1cccc1C(=O)C(=O)Nc1cc[nH+]cc1O ZINC000353435974 187209344 /nfs/dbraw/zinc/20/93/44/187209344.db2.gz UPIJGRZMKMHFFW-UHFFFAOYSA-N 1 2 245.238 0.369 20 0 BCADLO C[C@@H](C1CC1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634597717 342975146 /nfs/dbraw/zinc/97/51/46/342975146.db2.gz RYURLSXTDFONPM-IONNQARKSA-N 1 2 207.277 0.593 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169291 536733172 /nfs/dbraw/zinc/73/31/72/536733172.db2.gz IWIGSRXJSVBOKB-JGVFFNPUSA-N 1 2 209.236 0.723 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353169291 536733180 /nfs/dbraw/zinc/73/31/80/536733180.db2.gz IWIGSRXJSVBOKB-JGVFFNPUSA-N 1 2 209.236 0.723 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@](C)(O)C1 ZINC000493321508 529558275 /nfs/dbraw/zinc/55/82/75/529558275.db2.gz MFOHKEVGIIBJFE-DSYXLKISSA-N 1 2 249.314 0.900 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627369402 346908472 /nfs/dbraw/zinc/90/84/72/346908472.db2.gz SDRNHRSBPLDOEL-GFCCVEGCSA-N 1 2 237.303 0.846 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627369402 346908474 /nfs/dbraw/zinc/90/84/74/346908474.db2.gz SDRNHRSBPLDOEL-GFCCVEGCSA-N 1 2 237.303 0.846 20 0 BCADLO CSCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000608790630 342976126 /nfs/dbraw/zinc/97/61/26/342976126.db2.gz BGVGWQPNPJVMNA-VIFPVBQESA-N 1 2 242.348 0.934 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CC[C@H]1O ZINC000493270026 529560322 /nfs/dbraw/zinc/56/03/22/529560322.db2.gz ZIXBXFWGUQNUEJ-KWMOZEJZSA-N 1 2 235.287 0.556 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516935808 259336784 /nfs/dbraw/zinc/33/67/84/259336784.db2.gz KBFDUGWLVRJHQN-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516935808 259336785 /nfs/dbraw/zinc/33/67/85/259336785.db2.gz KBFDUGWLVRJHQN-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)C[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000602767598 349722573 /nfs/dbraw/zinc/72/25/73/349722573.db2.gz ROEKKHDFEFXGPY-UHFFFAOYSA-N 1 2 210.233 0.392 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000602767598 349722575 /nfs/dbraw/zinc/72/25/75/349722575.db2.gz ROEKKHDFEFXGPY-UHFFFAOYSA-N 1 2 210.233 0.392 20 0 BCADLO CCN(C#N)CC[NH+]1CCN(CC(F)F)CC1 ZINC000602766392 349722963 /nfs/dbraw/zinc/72/29/63/349722963.db2.gz RLXRLGSETOSOJZ-UHFFFAOYSA-N 1 2 246.305 0.672 20 0 BCADLO CCN(C#N)CC[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000602798068 349738536 /nfs/dbraw/zinc/73/85/36/349738536.db2.gz FYUWACCZCPJPAT-MRVPVSSYSA-N 1 2 239.241 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000602798068 349738539 /nfs/dbraw/zinc/73/85/39/349738539.db2.gz FYUWACCZCPJPAT-MRVPVSSYSA-N 1 2 239.241 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000602797869 349738650 /nfs/dbraw/zinc/73/86/50/349738650.db2.gz KTDVGKVSORLGTL-GFCCVEGCSA-N 1 2 223.320 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000602797869 349738653 /nfs/dbraw/zinc/73/86/53/349738653.db2.gz KTDVGKVSORLGTL-GFCCVEGCSA-N 1 2 223.320 0.900 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000308172758 259339047 /nfs/dbraw/zinc/33/90/47/259339047.db2.gz WYNUJGKUEYYBDS-VIFPVBQESA-N 1 2 244.335 0.785 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000308172758 259339048 /nfs/dbraw/zinc/33/90/48/259339048.db2.gz WYNUJGKUEYYBDS-VIFPVBQESA-N 1 2 244.335 0.785 20 0 BCADLO CCN(C#N)CCN1CCn2cc(C)[nH+]c2C1 ZINC000602801488 349741961 /nfs/dbraw/zinc/74/19/61/349741961.db2.gz DTTUDMDQXRCKQW-UHFFFAOYSA-N 1 2 233.319 0.810 20 0 BCADLO Cc1cnccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634605963 343001228 /nfs/dbraw/zinc/00/12/28/343001228.db2.gz COTYLCLTWHEDFA-VIFPVBQESA-N 1 2 230.271 0.702 20 0 BCADLO COC(=O)CCN1CC[N@H+](CC(C)=O)[C@@H](C)C1 ZINC000602805041 349743792 /nfs/dbraw/zinc/74/37/92/349743792.db2.gz KSSRHLJMTQYQNE-JTQLQIEISA-N 1 2 242.319 0.145 20 0 BCADLO COC(=O)CCN1CC[N@@H+](CC(C)=O)[C@@H](C)C1 ZINC000602805041 349743794 /nfs/dbraw/zinc/74/37/94/349743794.db2.gz KSSRHLJMTQYQNE-JTQLQIEISA-N 1 2 242.319 0.145 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000602771826 349725865 /nfs/dbraw/zinc/72/58/65/349725865.db2.gz GNYDNHJHBLSODJ-HTQZYQBOSA-N 1 2 240.259 0.589 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000602771826 349725867 /nfs/dbraw/zinc/72/58/67/349725867.db2.gz GNYDNHJHBLSODJ-HTQZYQBOSA-N 1 2 240.259 0.589 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000602818424 349759423 /nfs/dbraw/zinc/75/94/23/349759423.db2.gz DHLZSRULJXVCQK-ZBEGNZNMSA-N 1 2 243.376 0.490 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000602818424 349759427 /nfs/dbraw/zinc/75/94/27/349759427.db2.gz DHLZSRULJXVCQK-ZBEGNZNMSA-N 1 2 243.376 0.490 20 0 BCADLO Cc1cc(=O)n(CCC[NH+]2CCOCC2)[nH]1 ZINC000634616568 343014572 /nfs/dbraw/zinc/01/45/72/343014572.db2.gz QJXZFZFHHXUQHA-UHFFFAOYSA-N 1 2 225.292 0.317 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000602821170 349762070 /nfs/dbraw/zinc/76/20/70/349762070.db2.gz LZVZVEZAQFEYEA-RKDXNWHRSA-N 1 2 238.291 0.259 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000602821170 349762075 /nfs/dbraw/zinc/76/20/75/349762075.db2.gz LZVZVEZAQFEYEA-RKDXNWHRSA-N 1 2 238.291 0.259 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)NC(C)C ZINC000048334976 343016147 /nfs/dbraw/zinc/01/61/47/343016147.db2.gz GBTBVSNOIFPUPV-UHFFFAOYSA-N 1 2 216.281 0.006 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)NC(C)C ZINC000048334976 343016149 /nfs/dbraw/zinc/01/61/49/343016149.db2.gz GBTBVSNOIFPUPV-UHFFFAOYSA-N 1 2 216.281 0.006 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000602823528 349762787 /nfs/dbraw/zinc/76/27/87/349762787.db2.gz UYQVSYYZZCAHKB-MEDUHNTESA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000602823528 349762789 /nfs/dbraw/zinc/76/27/89/349762789.db2.gz UYQVSYYZZCAHKB-MEDUHNTESA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000602828826 349766188 /nfs/dbraw/zinc/76/61/88/349766188.db2.gz VDWDCUFTJPTFPY-JTQLQIEISA-N 1 2 215.272 0.196 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000602828826 349766191 /nfs/dbraw/zinc/76/61/91/349766191.db2.gz VDWDCUFTJPTFPY-JTQLQIEISA-N 1 2 215.272 0.196 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000602785921 349750524 /nfs/dbraw/zinc/75/05/24/349750524.db2.gz MFGBRSUYMKJPKH-NSHDSACASA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000602785921 349750526 /nfs/dbraw/zinc/75/05/26/349750526.db2.gz MFGBRSUYMKJPKH-NSHDSACASA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000602811169 349754890 /nfs/dbraw/zinc/75/48/90/349754890.db2.gz NKPCSXGCKNASPZ-QMMMGPOBSA-N 1 2 223.280 0.832 20 0 BCADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(C)=O ZINC000602817061 349758775 /nfs/dbraw/zinc/75/87/75/349758775.db2.gz RZRDVXKLCNNUTQ-VWYCJHECSA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(C)=O ZINC000602817061 349758778 /nfs/dbraw/zinc/75/87/78/349758778.db2.gz RZRDVXKLCNNUTQ-VWYCJHECSA-N 1 2 225.288 0.849 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(OC)n1 ZINC000602862340 349773280 /nfs/dbraw/zinc/77/32/80/349773280.db2.gz CJPCVCRJPHTBCX-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(OC)n1 ZINC000602862340 349773282 /nfs/dbraw/zinc/77/32/82/349773282.db2.gz CJPCVCRJPHTBCX-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCn1cccn1 ZINC000048561700 343040431 /nfs/dbraw/zinc/04/04/31/343040431.db2.gz MRVVLOAKQREEBG-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368394300 187221221 /nfs/dbraw/zinc/22/12/21/187221221.db2.gz UMDFUGKLZWEUNV-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368394300 187221223 /nfs/dbraw/zinc/22/12/23/187221223.db2.gz UMDFUGKLZWEUNV-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000367462790 187221467 /nfs/dbraw/zinc/22/14/67/187221467.db2.gz HVBZTIZIQSDDME-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000367462790 187221469 /nfs/dbraw/zinc/22/14/69/187221469.db2.gz HVBZTIZIQSDDME-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCC[C@H]3COC[C@H]32)S1 ZINC000367462790 187221471 /nfs/dbraw/zinc/22/14/71/187221471.db2.gz HVBZTIZIQSDDME-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO O=C1N=NC(C[N@H+]2CCC[C@H]3COC[C@H]32)S1 ZINC000367462790 187221472 /nfs/dbraw/zinc/22/14/72/187221472.db2.gz HVBZTIZIQSDDME-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO O=c1c2c([nH]n1C[C@H]1CCSC1)CC[NH2+]C2 ZINC000634628634 343036016 /nfs/dbraw/zinc/03/60/16/343036016.db2.gz BWVCRKYRKGDWCL-RKDXNWHRSA-N 1 2 239.344 0.547 20 0 BCADLO O=c1c2c([nH]n1C[C@H]1CCSC1)CC[NH2+]C2 ZINC000634628631 343036127 /nfs/dbraw/zinc/03/61/27/343036127.db2.gz BWVCRKYRKGDWCL-BDAKNGLRSA-N 1 2 239.344 0.547 20 0 BCADLO O=c1c2c([n-]n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000634633728 343046583 /nfs/dbraw/zinc/04/65/83/343046583.db2.gz DTRQAWUXUWSRMX-SNVBAGLBSA-N 1 2 247.302 0.081 20 0 BCADLO O=c1c2c([nH]n1-c1ccncc1F)CC[NH2+]C2 ZINC000634633741 343046928 /nfs/dbraw/zinc/04/69/28/343046928.db2.gz FIABCQZYPFDAGY-SSDOTTSWSA-N 1 2 234.234 0.533 20 0 BCADLO COC(=O)[C@H]1COCC[N@@H+]1CCC(C)C ZINC000135536572 343063807 /nfs/dbraw/zinc/06/38/07/343063807.db2.gz VZDPTWZEBGISEK-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@H]1COCC[N@H+]1CCC(C)C ZINC000135536572 343063809 /nfs/dbraw/zinc/06/38/09/343063809.db2.gz VZDPTWZEBGISEK-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1[nH]cc[nH+]1 ZINC000576835649 365699354 /nfs/dbraw/zinc/69/93/54/365699354.db2.gz IWSODKMYGQFPFJ-UHFFFAOYSA-N 1 2 225.292 0.825 20 0 BCADLO CCN(C#N)CCN(C)Cc1c[nH+]c[nH]1 ZINC000602884624 349793095 /nfs/dbraw/zinc/79/30/95/349793095.db2.gz PQMJWMKKEJNRRF-UHFFFAOYSA-N 1 2 207.281 0.644 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)no1 ZINC000235943140 343067452 /nfs/dbraw/zinc/06/74/52/343067452.db2.gz UZRJTGNBCZNPRT-JGVFFNPUSA-N 1 2 211.265 0.627 20 0 BCADLO COCc1noc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000182208717 536827348 /nfs/dbraw/zinc/82/73/48/536827348.db2.gz CUHTWUNVIZEPJV-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000182208717 536827355 /nfs/dbraw/zinc/82/73/55/536827355.db2.gz CUHTWUNVIZEPJV-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO Cn1cc[nH+]c1CSc1nc(N)nc(N)n1 ZINC000171067636 187227499 /nfs/dbraw/zinc/22/74/99/187227499.db2.gz MUHNUCBYZHOPKY-UHFFFAOYSA-N 1 2 237.292 0.062 20 0 BCADLO CC[N@H+](Cc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC000678122383 488200190 /nfs/dbraw/zinc/20/01/90/488200190.db2.gz MWYWSMHXFABGBO-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CC[N@@H+](Cc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC000678122383 488200195 /nfs/dbraw/zinc/20/01/95/488200195.db2.gz MWYWSMHXFABGBO-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO Cn1c(N)nnc1SCCCn1cc[nH+]c1 ZINC000049328371 343103725 /nfs/dbraw/zinc/10/37/25/343103725.db2.gz TVFMABMGVDLFBB-UHFFFAOYSA-N 1 2 238.320 0.776 20 0 BCADLO O=C(CCn1cccn1)NCCn1cc[nH+]c1 ZINC000042720892 346926630 /nfs/dbraw/zinc/92/66/30/346926630.db2.gz KYBIXUBKTXIDIQ-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO CC(C)=CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640846240 362065112 /nfs/dbraw/zinc/06/51/12/362065112.db2.gz LVAASIVUSQMLIR-LLVKDONJSA-N 1 2 222.292 0.905 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@]12C[C@H]1CCC2 ZINC000421526700 192353955 /nfs/dbraw/zinc/35/39/55/192353955.db2.gz ONJJNWOBTWCJTJ-YRGRVCCFSA-N 1 2 249.358 0.293 20 0 BCADLO CCN(C)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640956054 362098944 /nfs/dbraw/zinc/09/89/44/362098944.db2.gz LQPAWVTZTJKZME-UHFFFAOYSA-N 1 2 248.290 0.001 20 0 BCADLO CC[C@H](C)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939487 362078420 /nfs/dbraw/zinc/07/84/20/362078420.db2.gz AXMSXKLFLJUIBF-GXSJLCMTSA-N 1 2 224.308 0.985 20 0 BCADLO CC[C@@H](C)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939488 362078996 /nfs/dbraw/zinc/07/89/96/362078996.db2.gz AXMSXKLFLJUIBF-KOLCDFICSA-N 1 2 224.308 0.985 20 0 BCADLO FCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000640937619 362079609 /nfs/dbraw/zinc/07/96/09/362079609.db2.gz HIDPGZPUOWJCCJ-UHFFFAOYSA-N 1 2 242.298 0.512 20 0 BCADLO CC[C@@H](C)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000640942658 362085458 /nfs/dbraw/zinc/08/54/58/362085458.db2.gz UHSHTFDQJKOUGM-SNVBAGLBSA-N 1 2 226.324 0.748 20 0 BCADLO CC[C@@H](C)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000640942658 362085467 /nfs/dbraw/zinc/08/54/67/362085467.db2.gz UHSHTFDQJKOUGM-SNVBAGLBSA-N 1 2 226.324 0.748 20 0 BCADLO C[N@H+](CCO)Cc1cn([C@H]2C=CCCC2)nn1 ZINC000640947008 362093259 /nfs/dbraw/zinc/09/32/59/362093259.db2.gz AXKCFCWPIUWGLQ-LBPRGKRZSA-N 1 2 236.319 0.983 20 0 BCADLO C[N@@H+](CCO)Cc1cn([C@H]2C=CCCC2)nn1 ZINC000640947008 362093264 /nfs/dbraw/zinc/09/32/64/362093264.db2.gz AXKCFCWPIUWGLQ-LBPRGKRZSA-N 1 2 236.319 0.983 20 0 BCADLO C[C@@H](CF)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631137250 343146137 /nfs/dbraw/zinc/14/61/37/343146137.db2.gz YDVQUZJETJGBGD-UWVGGRQHSA-N 1 2 242.298 0.762 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000193575552 136270950 /nfs/dbraw/zinc/27/09/50/136270950.db2.gz VFIRXKJGZAIPKO-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ncccc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000193575552 136270951 /nfs/dbraw/zinc/27/09/51/136270951.db2.gz VFIRXKJGZAIPKO-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000027926274 343125635 /nfs/dbraw/zinc/12/56/35/343125635.db2.gz FQKRBFREEORIIV-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000027926274 343125637 /nfs/dbraw/zinc/12/56/37/343125637.db2.gz FQKRBFREEORIIV-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000576955427 365732732 /nfs/dbraw/zinc/73/27/32/365732732.db2.gz CVYWPPBXFGNVPT-UTLUCORTSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000576955427 365732737 /nfs/dbraw/zinc/73/27/37/365732737.db2.gz CVYWPPBXFGNVPT-UTLUCORTSA-N 1 2 239.319 0.864 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125349531 343173106 /nfs/dbraw/zinc/17/31/06/343173106.db2.gz KVLYDIOCSDGMJJ-SSDOTTSWSA-N 1 2 219.248 0.932 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCn1ccnn1 ZINC000128371545 343174319 /nfs/dbraw/zinc/17/43/19/343174319.db2.gz OUZUNIKTBOAXCT-UHFFFAOYSA-N 1 2 249.278 0.161 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCn1ccnn1 ZINC000128371545 343174322 /nfs/dbraw/zinc/17/43/22/343174322.db2.gz OUZUNIKTBOAXCT-UHFFFAOYSA-N 1 2 249.278 0.161 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C1([NH3+])CCC1 ZINC000148207906 343196008 /nfs/dbraw/zinc/19/60/08/343196008.db2.gz VBRASDNFQDVWDR-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000332849772 343216751 /nfs/dbraw/zinc/21/67/51/343216751.db2.gz SNPKGQUDEVTWDI-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCCOC1 ZINC000134867566 343191732 /nfs/dbraw/zinc/19/17/32/343191732.db2.gz LJMSIQZUROKJQR-QMMMGPOBSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCCOC1 ZINC000134867566 343191734 /nfs/dbraw/zinc/19/17/34/343191734.db2.gz LJMSIQZUROKJQR-QMMMGPOBSA-N 1 2 238.291 0.906 20 0 BCADLO CC[C@@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000134907247 343191866 /nfs/dbraw/zinc/19/18/66/343191866.db2.gz AUQSMBMYLJJJJT-SNVBAGLBSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000134907247 343191868 /nfs/dbraw/zinc/19/18/68/343191868.db2.gz AUQSMBMYLJJJJT-SNVBAGLBSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000134966400 343192329 /nfs/dbraw/zinc/19/23/29/343192329.db2.gz NGDSCLJFZOBBPC-QMMMGPOBSA-N 1 2 235.291 0.936 20 0 BCADLO CC[C@H](CCO)CNc1nc[nH+]c(N)c1OC ZINC000134923244 343192465 /nfs/dbraw/zinc/19/24/65/343192465.db2.gz OQWHYQGRUMIAIK-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO CC[C@H](CCO)CNc1[nH+]cnc(N)c1OC ZINC000134923244 343192467 /nfs/dbraw/zinc/19/24/67/343192467.db2.gz OQWHYQGRUMIAIK-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO C[C@@H]1CCCN1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625300731 343227154 /nfs/dbraw/zinc/22/71/54/343227154.db2.gz PCKQMWIIVRVOEO-MRVPVSSYSA-N 1 2 244.320 0.228 20 0 BCADLO C[C@@H]1CCCN1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625300731 343227157 /nfs/dbraw/zinc/22/71/57/343227157.db2.gz PCKQMWIIVRVOEO-MRVPVSSYSA-N 1 2 244.320 0.228 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cnccn1 ZINC000558891730 344029251 /nfs/dbraw/zinc/02/92/51/344029251.db2.gz DUAILYGVVZXNKS-VFZGTOFNSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cnccn1 ZINC000558891730 344029253 /nfs/dbraw/zinc/02/92/53/344029253.db2.gz DUAILYGVVZXNKS-VFZGTOFNSA-N 1 2 227.333 0.675 20 0 BCADLO COc1cc[nH+]c(Cn2cc(C(C)=O)nn2)c1 ZINC000641030818 362145279 /nfs/dbraw/zinc/14/52/79/362145279.db2.gz LDDRZVBMQJMGJX-UHFFFAOYSA-N 1 2 232.243 0.933 20 0 BCADLO C/C=C\c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032148 362145322 /nfs/dbraw/zinc/14/53/22/362145322.db2.gz CBFWCRWWRJEVKA-IHWYPQMZSA-N 1 2 222.292 0.643 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cnccn1 ZINC000558891726 344029178 /nfs/dbraw/zinc/02/91/78/344029178.db2.gz DUAILYGVVZXNKS-PSLIRLAXSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cnccn1 ZINC000558891726 344029181 /nfs/dbraw/zinc/02/91/81/344029181.db2.gz DUAILYGVVZXNKS-PSLIRLAXSA-N 1 2 227.333 0.675 20 0 BCADLO COCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641024248 362140554 /nfs/dbraw/zinc/14/05/54/362140554.db2.gz PDTKIKVJVPXEOK-UHFFFAOYSA-N 1 2 221.264 0.559 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cnccn1 ZINC000558891728 344029394 /nfs/dbraw/zinc/02/93/94/344029394.db2.gz DUAILYGVVZXNKS-RFAUZJTJSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cnccn1 ZINC000558891728 344029396 /nfs/dbraw/zinc/02/93/96/344029396.db2.gz DUAILYGVVZXNKS-RFAUZJTJSA-N 1 2 227.333 0.675 20 0 BCADLO c1c(C2CC2)nnn1CC[NH+]1CCOCC1 ZINC000641034166 362146681 /nfs/dbraw/zinc/14/66/81/362146681.db2.gz YSCWALZFBTYBIE-UHFFFAOYSA-N 1 2 222.292 0.488 20 0 BCADLO CCOCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035749 362147484 /nfs/dbraw/zinc/14/74/84/362147484.db2.gz YHEWAESKAXEHIA-UHFFFAOYSA-N 1 2 207.237 0.586 20 0 BCADLO CCOCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033266 362147782 /nfs/dbraw/zinc/14/77/82/362147782.db2.gz LWYWARVVUUWSSY-UHFFFAOYSA-N 1 2 240.307 0.147 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036299 362148640 /nfs/dbraw/zinc/14/86/40/362148640.db2.gz OWLLAGSUZFROKX-NSHDSACASA-N 1 2 235.291 0.609 20 0 BCADLO COC(=O)c1ncn(Cc2ccc[nH+]c2C)n1 ZINC000310104438 343279528 /nfs/dbraw/zinc/27/95/28/343279528.db2.gz OPKDFYKOKRFJEF-UHFFFAOYSA-N 1 2 232.243 0.816 20 0 BCADLO C[C@@H](O)CCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054821 362166465 /nfs/dbraw/zinc/16/64/65/362166465.db2.gz ISTWXNVKZIMPHV-LLVKDONJSA-N 1 2 249.318 0.878 20 0 BCADLO C[C@H](O)CCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054822 362166699 /nfs/dbraw/zinc/16/66/99/362166699.db2.gz ISTWXNVKZIMPHV-NSHDSACASA-N 1 2 249.318 0.878 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069862404 343293582 /nfs/dbraw/zinc/29/35/82/343293582.db2.gz XFZKDLPYZFIETR-HRDYMLBCSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000348734131 136295176 /nfs/dbraw/zinc/29/51/76/136295176.db2.gz HFOSTSQBDNISPR-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cncn1C ZINC000584063245 343312092 /nfs/dbraw/zinc/31/20/92/343312092.db2.gz LSOTXSFFFGXBLF-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COC(C)C ZINC000070197546 343312270 /nfs/dbraw/zinc/31/22/70/343312270.db2.gz JCPHHHFQRICHRF-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)COC(C)C ZINC000070197546 343312271 /nfs/dbraw/zinc/31/22/71/343312271.db2.gz JCPHHHFQRICHRF-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)[nH]1 ZINC000621373764 343315723 /nfs/dbraw/zinc/31/57/23/343315723.db2.gz OHIPIPUWQTWARW-WPRPVWTQSA-N 1 2 224.308 0.563 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)[nH]1 ZINC000621373764 343315725 /nfs/dbraw/zinc/31/57/25/343315725.db2.gz OHIPIPUWQTWARW-WPRPVWTQSA-N 1 2 224.308 0.563 20 0 BCADLO CCN1CC[N@H+](CCCOC(C)C)CC1=O ZINC000348816272 136298808 /nfs/dbraw/zinc/29/88/08/136298808.db2.gz LCDAXUBYRCBKHB-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCN1CC[N@@H+](CCCOC(C)C)CC1=O ZINC000348816272 136298809 /nfs/dbraw/zinc/29/88/09/136298809.db2.gz LCDAXUBYRCBKHB-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000348869361 136302611 /nfs/dbraw/zinc/30/26/11/136302611.db2.gz MUUACWFNLDYCHA-VHSXEESVSA-N 1 2 247.298 0.665 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000113751553 136317705 /nfs/dbraw/zinc/31/77/05/136317705.db2.gz RGHOSMQMEOANCD-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299907049 349806046 /nfs/dbraw/zinc/80/60/46/349806046.db2.gz HUUGSECJHQUNEH-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299907049 349806049 /nfs/dbraw/zinc/80/60/49/349806049.db2.gz HUUGSECJHQUNEH-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1cc[nH+]cc1Cn1cc(C(=O)N(C)C)nn1 ZINC000641070348 362179871 /nfs/dbraw/zinc/17/98/71/362179871.db2.gz BQLSECLEELXHGB-UHFFFAOYSA-N 1 2 245.286 0.732 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@@H]1O ZINC000348950918 136310207 /nfs/dbraw/zinc/31/02/07/136310207.db2.gz RLHWKPUDSFTJKN-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@@H]1O ZINC000348950918 136310208 /nfs/dbraw/zinc/31/02/08/136310208.db2.gz RLHWKPUDSFTJKN-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000348959591 136310589 /nfs/dbraw/zinc/31/05/89/136310589.db2.gz WVOTYLCQHHJQPT-HTQZYQBOSA-N 1 2 227.264 0.029 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000348959591 136310590 /nfs/dbraw/zinc/31/05/90/136310590.db2.gz WVOTYLCQHHJQPT-HTQZYQBOSA-N 1 2 227.264 0.029 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602907327 349806817 /nfs/dbraw/zinc/80/68/17/349806817.db2.gz MHOACPUFNOFFFB-BXKDBHETSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602907327 349806819 /nfs/dbraw/zinc/80/68/19/349806819.db2.gz MHOACPUFNOFFFB-BXKDBHETSA-N 1 2 245.319 0.146 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nncs1 ZINC000039988319 343394929 /nfs/dbraw/zinc/39/49/29/343394929.db2.gz JHQBTGZHASTUJD-UHFFFAOYSA-N 1 2 209.234 0.373 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000625401596 343414127 /nfs/dbraw/zinc/41/41/27/343414127.db2.gz XPCSERHZPLVANU-LBPRGKRZSA-N 1 2 246.326 0.555 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000625401596 343414129 /nfs/dbraw/zinc/41/41/29/343414129.db2.gz XPCSERHZPLVANU-LBPRGKRZSA-N 1 2 246.326 0.555 20 0 BCADLO CC[C@H](Cn1cc([C@H]2COCC[NH2+]2)nn1)OC ZINC000641079569 362192456 /nfs/dbraw/zinc/19/24/56/362192456.db2.gz FCYKMKGQIHYOJW-MWLCHTKSSA-N 1 2 240.307 0.364 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335726123 136347307 /nfs/dbraw/zinc/34/73/07/136347307.db2.gz KMTRLLWMMNLWML-KWQFWETISA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335726123 136347308 /nfs/dbraw/zinc/34/73/08/136347308.db2.gz KMTRLLWMMNLWML-KWQFWETISA-N 1 2 237.303 0.400 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCC(F)(F)C1 ZINC000335733360 136349561 /nfs/dbraw/zinc/34/95/61/136349561.db2.gz FSWOKSAXMPNXEE-UHFFFAOYSA-N 1 2 244.245 0.971 20 0 BCADLO Cc1cc(Cn2cc(CO)nn2)cc[nH+]1 ZINC000641088341 362211693 /nfs/dbraw/zinc/21/16/93/362211693.db2.gz HBNFZMANUGEFBO-UHFFFAOYSA-N 1 2 204.233 0.522 20 0 BCADLO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349244774 136332556 /nfs/dbraw/zinc/33/25/56/136332556.db2.gz QPMSXESXXBGJPR-VIFPVBQESA-N 1 2 241.291 0.478 20 0 BCADLO COCC[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641086823 362215567 /nfs/dbraw/zinc/21/55/67/362215567.db2.gz TUYOWXYAKFXHSJ-JTQLQIEISA-N 1 2 242.323 0.300 20 0 BCADLO COCC[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641086823 362215569 /nfs/dbraw/zinc/21/55/69/362215569.db2.gz TUYOWXYAKFXHSJ-JTQLQIEISA-N 1 2 242.323 0.300 20 0 BCADLO Cc1ccnc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000349285061 136335521 /nfs/dbraw/zinc/33/55/21/136335521.db2.gz QAGGBLVZZAUSGA-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000350278020 136357569 /nfs/dbraw/zinc/35/75/69/136357569.db2.gz JQRYHGDDDBZPKW-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccc(C[N@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000350278020 136357570 /nfs/dbraw/zinc/35/75/70/136357570.db2.gz JQRYHGDDDBZPKW-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO CCN1CCN(C(C)=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000335885531 136357959 /nfs/dbraw/zinc/35/79/59/136357959.db2.gz YMCXXNATMWGNHP-JTQLQIEISA-N 1 2 222.292 0.635 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000353993559 136363961 /nfs/dbraw/zinc/36/39/61/136363961.db2.gz CKMSTFGCJHRXKH-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO c1cnn(CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000351608200 136369835 /nfs/dbraw/zinc/36/98/35/136369835.db2.gz MTXILTNQKGAHDD-UHFFFAOYSA-N 1 2 218.264 0.060 20 0 BCADLO c1cnn(CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000351608200 136369836 /nfs/dbraw/zinc/36/98/36/136369836.db2.gz MTXILTNQKGAHDD-UHFFFAOYSA-N 1 2 218.264 0.060 20 0 BCADLO C[C@@H](O)CCCc1cn(CCn2cc[nH+]c2)nn1 ZINC000641122887 362231003 /nfs/dbraw/zinc/23/10/03/362231003.db2.gz DHDCLYXQWJUCLN-LLVKDONJSA-N 1 2 249.318 0.878 20 0 BCADLO OC1(Cc2cn(CCn3cc[nH+]c3)nn2)CCC1 ZINC000641122855 362231474 /nfs/dbraw/zinc/23/14/74/362231474.db2.gz CBGXFAGFXLOROS-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO Cn1ccc(-c2cn(CCn3cc[nH+]c3)nn2)n1 ZINC000641123740 362231585 /nfs/dbraw/zinc/23/15/85/362231585.db2.gz PPRAISVNDCTBNJ-UHFFFAOYSA-N 1 2 243.274 0.575 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335907602 136371086 /nfs/dbraw/zinc/37/10/86/136371086.db2.gz GYPBKGGBBWYABB-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335907602 136371087 /nfs/dbraw/zinc/37/10/87/136371087.db2.gz GYPBKGGBBWYABB-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)CSC)C1CC1 ZINC000187806859 259362875 /nfs/dbraw/zinc/36/28/75/259362875.db2.gz LUFIWFRCLJLMJD-JTQLQIEISA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)CSC)C1CC1 ZINC000187806859 259362877 /nfs/dbraw/zinc/36/28/77/259362877.db2.gz LUFIWFRCLJLMJD-JTQLQIEISA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)CSC)C1CC1 ZINC000187806880 259362905 /nfs/dbraw/zinc/36/29/05/259362905.db2.gz LUFIWFRCLJLMJD-SNVBAGLBSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)CSC)C1CC1 ZINC000187806880 259362907 /nfs/dbraw/zinc/36/29/07/259362907.db2.gz LUFIWFRCLJLMJD-SNVBAGLBSA-N 1 2 247.360 0.738 20 0 BCADLO C[C@H](CO)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000683783348 488220908 /nfs/dbraw/zinc/22/09/08/488220908.db2.gz VJXMQSSXXSUFJC-QMMMGPOBSA-N 1 2 248.277 0.603 20 0 BCADLO C[C@H](CO)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000683783348 488220912 /nfs/dbraw/zinc/22/09/12/488220912.db2.gz VJXMQSSXXSUFJC-QMMMGPOBSA-N 1 2 248.277 0.603 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000083975285 343512160 /nfs/dbraw/zinc/51/21/60/343512160.db2.gz ZVRHOIJOTFKBKY-SECBINFHSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCC[C@@H]1CO ZINC000083975285 343512163 /nfs/dbraw/zinc/51/21/63/343512163.db2.gz ZVRHOIJOTFKBKY-SECBINFHSA-N 1 2 210.281 0.162 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)CCO ZINC000083995462 343513389 /nfs/dbraw/zinc/51/33/89/343513389.db2.gz MWWIRDHKLDROFE-UHFFFAOYSA-N 1 2 212.297 0.358 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)CCO ZINC000083995462 343513390 /nfs/dbraw/zinc/51/33/90/343513390.db2.gz MWWIRDHKLDROFE-UHFFFAOYSA-N 1 2 212.297 0.358 20 0 BCADLO CCc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000234162521 343533402 /nfs/dbraw/zinc/53/34/02/343533402.db2.gz XGQCSYJOLHKICC-IUCAKERBSA-N 1 2 228.317 0.243 20 0 BCADLO COCC[N@H+](CC(=O)N(C)C)Cc1ccco1 ZINC000046600925 343547342 /nfs/dbraw/zinc/54/73/42/343547342.db2.gz NUNWZMOELUIJNH-UHFFFAOYSA-N 1 2 240.303 0.816 20 0 BCADLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccco1 ZINC000046600925 343547344 /nfs/dbraw/zinc/54/73/44/343547344.db2.gz NUNWZMOELUIJNH-UHFFFAOYSA-N 1 2 240.303 0.816 20 0 BCADLO OCCC[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000379572633 343576767 /nfs/dbraw/zinc/57/67/67/343576767.db2.gz TWAQPLRSZPJMKB-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO OCCC[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000379572633 343576769 /nfs/dbraw/zinc/57/67/69/343576769.db2.gz TWAQPLRSZPJMKB-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccncc1 ZINC000046886609 343554352 /nfs/dbraw/zinc/55/43/52/343554352.db2.gz ADOAMENVJJTSCZ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2cc[nH]n2)CCN1C1CCC1 ZINC000623841053 343565525 /nfs/dbraw/zinc/56/55/25/343565525.db2.gz MXTAOMXBMUGFSA-NSHDSACASA-N 1 2 234.303 0.653 20 0 BCADLO CCc1nnc(CNC(=O)C=Cc2[nH]cc[nH+]2)[nH]1 ZINC000493075751 529737532 /nfs/dbraw/zinc/73/75/32/529737532.db2.gz WYCMRLCYVLGOJF-ARJAWSKDSA-N 1 2 246.274 0.420 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000280459675 187341800 /nfs/dbraw/zinc/34/18/00/187341800.db2.gz LTPSGOSBEPMXPX-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000280459675 187341801 /nfs/dbraw/zinc/34/18/01/187341801.db2.gz LTPSGOSBEPMXPX-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC000479171872 529744106 /nfs/dbraw/zinc/74/41/06/529744106.db2.gz XQBRVMBCMUYEOJ-SSDOTTSWSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC000479171872 529744107 /nfs/dbraw/zinc/74/41/07/529744107.db2.gz XQBRVMBCMUYEOJ-SSDOTTSWSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nc(NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000479171872 529744108 /nfs/dbraw/zinc/74/41/08/529744108.db2.gz XQBRVMBCMUYEOJ-SSDOTTSWSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nc(NC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC000479171872 529744109 /nfs/dbraw/zinc/74/41/09/529744109.db2.gz XQBRVMBCMUYEOJ-SSDOTTSWSA-N 1 2 223.280 0.400 20 0 BCADLO CONC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000048851901 343589041 /nfs/dbraw/zinc/58/90/41/343589041.db2.gz UUBKOYOQKVQBHI-UHFFFAOYSA-N 1 2 224.264 0.508 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1O ZINC000049237713 343594695 /nfs/dbraw/zinc/59/46/95/343594695.db2.gz IMRRRVHMLFBOSO-SECBINFHSA-N 1 2 246.270 0.802 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000570179124 323052206 /nfs/dbraw/zinc/05/22/06/323052206.db2.gz GACXDKAXASYHTN-GHMZBOCLSA-N 1 2 226.320 0.751 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000570179124 323052207 /nfs/dbraw/zinc/05/22/07/323052207.db2.gz GACXDKAXASYHTN-GHMZBOCLSA-N 1 2 226.320 0.751 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000620060622 343617098 /nfs/dbraw/zinc/61/70/98/343617098.db2.gz IHGGCMJKAFILRF-ZJUUUORDSA-N 1 2 249.314 0.475 20 0 BCADLO CCc1nc(C[NH2+][C@@H](C)C(=O)NC)cs1 ZINC000049591334 343603864 /nfs/dbraw/zinc/60/38/64/343603864.db2.gz VJKBNINAOWUGNY-ZETCQYMHSA-N 1 2 227.333 0.930 20 0 BCADLO COC[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000087263121 343642409 /nfs/dbraw/zinc/64/24/09/343642409.db2.gz VKYNBGSMPXIGIK-MRVPVSSYSA-N 1 2 211.265 0.699 20 0 BCADLO COC[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000087263121 343642410 /nfs/dbraw/zinc/64/24/10/343642410.db2.gz VKYNBGSMPXIGIK-MRVPVSSYSA-N 1 2 211.265 0.699 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000087263120 343642451 /nfs/dbraw/zinc/64/24/51/343642451.db2.gz VKYNBGSMPXIGIK-QMMMGPOBSA-N 1 2 211.265 0.699 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000087263120 343642452 /nfs/dbraw/zinc/64/24/52/343642452.db2.gz VKYNBGSMPXIGIK-QMMMGPOBSA-N 1 2 211.265 0.699 20 0 BCADLO C[C@](O)(C[NH2+]CC(F)(F)CO)C(F)(F)F ZINC000379789649 343626359 /nfs/dbraw/zinc/62/63/59/343626359.db2.gz IWRZCLFPKQVNAM-YFKPBYRVSA-N 1 2 237.168 0.517 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580583591 365793556 /nfs/dbraw/zinc/79/35/56/365793556.db2.gz XLRBGBHSKGLJIS-INTQDDNPSA-N 1 2 237.303 0.882 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580583591 365793558 /nfs/dbraw/zinc/79/35/58/365793558.db2.gz XLRBGBHSKGLJIS-INTQDDNPSA-N 1 2 237.303 0.882 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000194443299 537800982 /nfs/dbraw/zinc/80/09/82/537800982.db2.gz NSOLYDQGKDAGEO-VIFPVBQESA-N 1 2 247.306 0.313 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000194443299 537800993 /nfs/dbraw/zinc/80/09/93/537800993.db2.gz NSOLYDQGKDAGEO-VIFPVBQESA-N 1 2 247.306 0.313 20 0 BCADLO CC[C@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570284572 323055051 /nfs/dbraw/zinc/05/50/51/323055051.db2.gz LMHHQDWTMRCAJO-NXEZZACHSA-N 1 2 225.292 0.721 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC(C)C ZINC000087782687 343660960 /nfs/dbraw/zinc/66/09/60/343660960.db2.gz JANVGCNEHLCCJN-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC(C)C ZINC000087782687 343660963 /nfs/dbraw/zinc/66/09/63/343660963.db2.gz JANVGCNEHLCCJN-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624056259 343666323 /nfs/dbraw/zinc/66/63/23/343666323.db2.gz ZEPGTKWXFYDULQ-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624056259 343666325 /nfs/dbraw/zinc/66/63/25/343666325.db2.gz ZEPGTKWXFYDULQ-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO COCC[N@H+](Cc1nnc(C)o1)C1CC1 ZINC000048023113 343701113 /nfs/dbraw/zinc/70/11/13/343701113.db2.gz PTJQQOJQXWHHKV-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COCC[N@@H+](Cc1nnc(C)o1)C1CC1 ZINC000048023113 343701114 /nfs/dbraw/zinc/70/11/14/343701114.db2.gz PTJQQOJQXWHHKV-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO Cn1nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678266069 488230383 /nfs/dbraw/zinc/23/03/83/488230383.db2.gz LDPMMLNKRUKACI-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cn1nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678266069 488230386 /nfs/dbraw/zinc/23/03/86/488230386.db2.gz LDPMMLNKRUKACI-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1c1cccc[nH+]1 ZINC000088093950 343704765 /nfs/dbraw/zinc/70/47/65/343704765.db2.gz ATIXAKJWOQRMOF-ZJUUUORDSA-N 1 2 208.261 0.668 20 0 BCADLO CN1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1=O ZINC000493562006 529819333 /nfs/dbraw/zinc/81/93/33/529819333.db2.gz UFWNNGOODXFTST-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO COc1cc(CN2CCc3[nH+]c[nH]c3C2)on1 ZINC000625434571 343735126 /nfs/dbraw/zinc/73/51/26/343735126.db2.gz BLWHQYPGFGNKLD-UHFFFAOYSA-N 1 2 234.259 0.965 20 0 BCADLO COc1ccc[nH+]c1NC[C@](C)(CO)OC ZINC000624372437 343739416 /nfs/dbraw/zinc/73/94/16/343739416.db2.gz NYTZBNHBZYMWTP-LLVKDONJSA-N 1 2 226.276 0.900 20 0 BCADLO COc1cncc(CN2CCn3c[nH+]cc3C2)n1 ZINC000625440821 343741316 /nfs/dbraw/zinc/74/13/16/343741316.db2.gz QQYXRIHAOTXTLM-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COC(=O)[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000380226730 343710502 /nfs/dbraw/zinc/71/05/02/343710502.db2.gz OQCYCURIXMEELA-SECBINFHSA-N 1 2 239.275 0.151 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCC=C(F)C2)OC1=O ZINC000496127623 529816995 /nfs/dbraw/zinc/81/69/95/529816995.db2.gz IUSHSWBNFKDOHP-VIFPVBQESA-N 1 2 214.240 0.996 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCC=C(F)C2)OC1=O ZINC000496127623 529816996 /nfs/dbraw/zinc/81/69/96/529816996.db2.gz IUSHSWBNFKDOHP-VIFPVBQESA-N 1 2 214.240 0.996 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH+]ccn2C)o1 ZINC000291881249 187348988 /nfs/dbraw/zinc/34/89/88/187348988.db2.gz XLSFXHXCGKWPSC-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO C[C@H](C[NH2+]CC(C)(F)F)S(C)(=O)=O ZINC000584227155 343775325 /nfs/dbraw/zinc/77/53/25/343775325.db2.gz HHPDHKCHYIAHMD-ZCFIWIBFSA-N 1 2 215.265 0.664 20 0 BCADLO C[C@@H](C[NH2+]CC(C)(F)F)S(C)(=O)=O ZINC000584227154 343775593 /nfs/dbraw/zinc/77/55/93/343775593.db2.gz HHPDHKCHYIAHMD-LURJTMIESA-N 1 2 215.265 0.664 20 0 BCADLO COc1ccc[nH+]c1N1CCC(CO)(CO)C1 ZINC000624405284 343756186 /nfs/dbraw/zinc/75/61/86/343756186.db2.gz HMHILUNHNUBHSZ-UHFFFAOYSA-N 1 2 238.287 0.271 20 0 BCADLO COC1CC(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000625450950 343777793 /nfs/dbraw/zinc/77/77/93/343777793.db2.gz UGNXUGUBBHMMCG-UHFFFAOYSA-N 1 2 223.276 0.493 20 0 BCADLO CC[N@H+](Cc1cnns1)[C@H](C)CO ZINC000625444155 343762626 /nfs/dbraw/zinc/76/26/26/343762626.db2.gz WLEBXBDWBLHJMU-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1cnns1)[C@H](C)CO ZINC000625444155 343762629 /nfs/dbraw/zinc/76/26/29/343762629.db2.gz WLEBXBDWBLHJMU-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO Cc1[nH]c(CN2CCO[C@@H]3C[C@@H]32)[nH+]c1C ZINC000628290945 346974773 /nfs/dbraw/zinc/97/47/73/346974773.db2.gz GAKLSSAABBCFJK-VHSXEESVSA-N 1 2 207.277 1.000 20 0 BCADLO CN(CC1(O)CCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493121270 529854777 /nfs/dbraw/zinc/85/47/77/529854777.db2.gz KIHSZAWZBKLCCH-ARJAWSKDSA-N 1 2 235.287 0.796 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090522 349866457 /nfs/dbraw/zinc/86/64/57/349866457.db2.gz VIHCUNVCSPYLAF-OBJOEFQTSA-N 1 2 247.294 0.967 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090522 349866462 /nfs/dbraw/zinc/86/64/62/349866462.db2.gz VIHCUNVCSPYLAF-OBJOEFQTSA-N 1 2 247.294 0.967 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179437443 346984777 /nfs/dbraw/zinc/98/47/77/346984777.db2.gz VUOSMZSPGOQNTG-UHFFFAOYSA-N 1 2 222.292 0.497 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678285647 488236824 /nfs/dbraw/zinc/23/68/24/488236824.db2.gz SRWOCJYMWDSHMP-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CSCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000603159156 349879115 /nfs/dbraw/zinc/87/91/15/349879115.db2.gz BBWFAYZGPBUFIC-UHFFFAOYSA-N 1 2 209.278 0.913 20 0 BCADLO CN(CCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492767661 529892219 /nfs/dbraw/zinc/89/22/19/529892219.db2.gz NVAVMAJFCXLAHL-ARJAWSKDSA-N 1 2 209.249 0.264 20 0 BCADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)OC ZINC000495836705 529892339 /nfs/dbraw/zinc/89/23/39/529892339.db2.gz KUPUJFWACGSTIT-VIFPVBQESA-N 1 2 244.291 0.370 20 0 BCADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)OC ZINC000495836705 529892341 /nfs/dbraw/zinc/89/23/41/529892341.db2.gz KUPUJFWACGSTIT-VIFPVBQESA-N 1 2 244.291 0.370 20 0 BCADLO CC[C@@H](C)Cn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603194809 349883333 /nfs/dbraw/zinc/88/33/33/349883333.db2.gz GMFKQOGIBXIXNU-PSASIEDQSA-N 1 2 240.307 0.367 20 0 BCADLO C[C@@H]1C[N@H+](CCOC2CCOCC2)CC(=O)N1 ZINC000625459864 343862944 /nfs/dbraw/zinc/86/29/44/343862944.db2.gz TUCPQZQMNMLPSB-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC2CCOCC2)CC(=O)N1 ZINC000625459864 343862945 /nfs/dbraw/zinc/86/29/45/343862945.db2.gz TUCPQZQMNMLPSB-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1O ZINC000625460415 343862953 /nfs/dbraw/zinc/86/29/53/343862953.db2.gz CWWWTLFXNQKJDH-RKDXNWHRSA-N 1 2 212.249 0.175 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1O ZINC000625460415 343862955 /nfs/dbraw/zinc/86/29/55/343862955.db2.gz CWWWTLFXNQKJDH-RKDXNWHRSA-N 1 2 212.249 0.175 20 0 BCADLO CC[C@@H](C(=O)OC)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603192078 349882469 /nfs/dbraw/zinc/88/24/69/349882469.db2.gz LSROSHCHKUTDIJ-JTQLQIEISA-N 1 2 249.274 0.647 20 0 BCADLO CC(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698416 343937893 /nfs/dbraw/zinc/93/78/93/343937893.db2.gz USFHFXIYSORADB-JTQLQIEISA-N 1 2 225.336 0.149 20 0 BCADLO CC(C)(C)C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000128799723 343917700 /nfs/dbraw/zinc/91/77/00/343917700.db2.gz VRSSDQSPUWKMHF-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)CC1(O)CCC1 ZINC000625528785 343918928 /nfs/dbraw/zinc/91/89/28/343918928.db2.gz LFRVCRUISXYDLD-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)CC1(O)CCC1 ZINC000625528785 343918930 /nfs/dbraw/zinc/91/89/30/343918930.db2.gz LFRVCRUISXYDLD-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO Cn1c[nH+]cc1CSc1n[nH]c(CO)n1 ZINC000570629859 323065169 /nfs/dbraw/zinc/06/51/69/323065169.db2.gz BJEPVVKRCCRZIU-UHFFFAOYSA-N 1 2 225.277 0.323 20 0 BCADLO CSC[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600417726 343950314 /nfs/dbraw/zinc/95/03/14/343950314.db2.gz AKCUAXKLJYRHFB-ZJUUUORDSA-N 1 2 246.376 0.432 20 0 BCADLO CSC[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600417726 343950316 /nfs/dbraw/zinc/95/03/16/343950316.db2.gz AKCUAXKLJYRHFB-ZJUUUORDSA-N 1 2 246.376 0.432 20 0 BCADLO C[C@](O)(C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000341942221 187356241 /nfs/dbraw/zinc/35/62/41/187356241.db2.gz ZBCHMCXWFUVSNF-SNVBAGLBSA-N 1 2 209.249 0.187 20 0 BCADLO C[C@](O)(C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000341942221 187356243 /nfs/dbraw/zinc/35/62/43/187356243.db2.gz ZBCHMCXWFUVSNF-SNVBAGLBSA-N 1 2 209.249 0.187 20 0 BCADLO CC[C@](C)(O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641217479 362280386 /nfs/dbraw/zinc/28/03/86/362280386.db2.gz SFZIYKSFOFSGCX-QWRGUYRKSA-N 1 2 240.307 0.100 20 0 BCADLO FC(F)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641235115 362288512 /nfs/dbraw/zinc/28/85/12/362288512.db2.gz YJLNSZFAVGJILD-UHFFFAOYSA-N 1 2 246.261 0.418 20 0 BCADLO COCC[N@H+](C)Cc1cn(CC(F)F)nn1 ZINC000641235131 362289001 /nfs/dbraw/zinc/28/90/01/362289001.db2.gz YUBBXKKOQBVOPL-UHFFFAOYSA-N 1 2 234.250 0.621 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CC(F)F)nn1 ZINC000641235131 362289007 /nfs/dbraw/zinc/28/90/07/362289007.db2.gz YUBBXKKOQBVOPL-UHFFFAOYSA-N 1 2 234.250 0.621 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)CC2CC2)c[nH+]1 ZINC000678389190 488250610 /nfs/dbraw/zinc/25/06/10/488250610.db2.gz HGISACOOGHNLJF-SECBINFHSA-N 1 2 223.276 0.609 20 0 BCADLO OCCOCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727514 344058521 /nfs/dbraw/zinc/05/85/21/344058521.db2.gz YHDFBYPETQKFPV-UHFFFAOYSA-N 1 2 223.272 0.717 20 0 BCADLO OCCOCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727514 344058524 /nfs/dbraw/zinc/05/85/24/344058524.db2.gz YHDFBYPETQKFPV-UHFFFAOYSA-N 1 2 223.272 0.717 20 0 BCADLO CC(C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641251512 362328975 /nfs/dbraw/zinc/32/89/75/362328975.db2.gz SUNFDPHKUZKRML-UHFFFAOYSA-N 1 2 245.348 0.849 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)[nH]1 ZINC000625776903 344071762 /nfs/dbraw/zinc/07/17/62/344071762.db2.gz UCFGCGPMHBJNQG-SFYZADRCSA-N 1 2 240.332 0.980 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)[nH]1 ZINC000625776903 344071766 /nfs/dbraw/zinc/07/17/66/344071766.db2.gz UCFGCGPMHBJNQG-SFYZADRCSA-N 1 2 240.332 0.980 20 0 BCADLO CCNC(=O)CNc1cc(CO)cc[nH+]1 ZINC000641262382 362337460 /nfs/dbraw/zinc/33/74/60/362337460.db2.gz GSTAPSOCHLVRLC-UHFFFAOYSA-N 1 2 209.249 0.122 20 0 BCADLO Fc1c[nH+]ccc1NCc1nnc2n1CCC2 ZINC000641272792 362339777 /nfs/dbraw/zinc/33/97/77/362339777.db2.gz GMMBYGPNPWKEOZ-UHFFFAOYSA-N 1 2 233.250 0.792 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)C(C)C)nn1 ZINC000603259847 349901940 /nfs/dbraw/zinc/90/19/40/349901940.db2.gz KDSMHMUSELHFNB-WPRPVWTQSA-N 1 2 240.307 0.538 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)CN1c1cc(CO)cc[nH+]1 ZINC000641298416 362352242 /nfs/dbraw/zinc/35/22/42/362352242.db2.gz CKFBOOGKJPYDIZ-KOLCDFICSA-N 1 2 249.314 0.664 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn([C@H](C)C(C)C)nn1 ZINC000603259844 349902057 /nfs/dbraw/zinc/90/20/57/349902057.db2.gz KDSMHMUSELHFNB-PSASIEDQSA-N 1 2 240.307 0.538 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000078332776 344096163 /nfs/dbraw/zinc/09/61/63/344096163.db2.gz OUJSIHKHRXWNBH-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000078332776 344096164 /nfs/dbraw/zinc/09/61/64/344096164.db2.gz OUJSIHKHRXWNBH-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000221430059 259373278 /nfs/dbraw/zinc/37/32/78/259373278.db2.gz OZYZHJCZAMJENY-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000221430059 259373279 /nfs/dbraw/zinc/37/32/79/259373279.db2.gz OZYZHJCZAMJENY-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO CC[N@H+](Cc1nc(N)nc(N(C)C)n1)C1CC1 ZINC000083168336 344171877 /nfs/dbraw/zinc/17/18/77/344171877.db2.gz FFCFXISYMWLQSG-UHFFFAOYSA-N 1 2 236.323 0.504 20 0 BCADLO CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)C1CC1 ZINC000083168336 344171879 /nfs/dbraw/zinc/17/18/79/344171879.db2.gz FFCFXISYMWLQSG-UHFFFAOYSA-N 1 2 236.323 0.504 20 0 BCADLO CNc1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000230108122 344127825 /nfs/dbraw/zinc/12/78/25/344127825.db2.gz NQIRPGHPFODXRK-UHFFFAOYSA-N 1 2 246.274 0.514 20 0 BCADLO C[C@H](Cn1cncn1)Nc1cc[nH+]cc1F ZINC000641321901 362362834 /nfs/dbraw/zinc/36/28/34/362362834.db2.gz SUWNRAJKWQPRFY-MRVPVSSYSA-N 1 2 221.239 0.735 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634759510 344233159 /nfs/dbraw/zinc/23/31/59/344233159.db2.gz KWMMZENYEMJCLX-QMMMGPOBSA-N 1 2 207.220 0.931 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634759510 344233160 /nfs/dbraw/zinc/23/31/60/344233160.db2.gz KWMMZENYEMJCLX-QMMMGPOBSA-N 1 2 207.220 0.931 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(C)o1 ZINC000628134128 344188092 /nfs/dbraw/zinc/18/80/92/344188092.db2.gz GARUORXKNRRDGE-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(C)o1 ZINC000628134128 344188094 /nfs/dbraw/zinc/18/80/94/344188094.db2.gz GARUORXKNRRDGE-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO O[C@@H](CNc1cc[nH+]cc1F)COCC1CC1 ZINC000641322828 362364206 /nfs/dbraw/zinc/36/42/06/362364206.db2.gz ADSFDEZKPONFMQ-JTQLQIEISA-N 1 2 240.278 0.842 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000588899936 344197941 /nfs/dbraw/zinc/19/79/41/344197941.db2.gz MPCNQLLVYROASR-NSHDSACASA-N 1 2 234.303 0.407 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2nc(C)ncc2C1 ZINC000588899936 344197943 /nfs/dbraw/zinc/19/79/43/344197943.db2.gz MPCNQLLVYROASR-NSHDSACASA-N 1 2 234.303 0.407 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)CC1(CO)COC1 ZINC000089123353 344244610 /nfs/dbraw/zinc/24/46/10/344244610.db2.gz QZWQCZRIQHPMCP-UHFFFAOYSA-N 1 2 245.319 0.269 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)CC1(CO)COC1 ZINC000089123353 344244612 /nfs/dbraw/zinc/24/46/12/344244612.db2.gz QZWQCZRIQHPMCP-UHFFFAOYSA-N 1 2 245.319 0.269 20 0 BCADLO CCc1nnc(C[N@H+](C)C2CC(O)C2)n1C ZINC000408216300 344252821 /nfs/dbraw/zinc/25/28/21/344252821.db2.gz TWROJZPXYNYMMG-UHFFFAOYSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2CC(O)C2)n1C ZINC000408216300 344252822 /nfs/dbraw/zinc/25/28/22/344252822.db2.gz TWROJZPXYNYMMG-UHFFFAOYSA-N 1 2 224.308 0.333 20 0 BCADLO Cc1cc(N2CCC(NC(N)=O)CC2)nc[nH+]1 ZINC000408217814 344253603 /nfs/dbraw/zinc/25/36/03/344253603.db2.gz FWXFVNDQGCCLHP-UHFFFAOYSA-N 1 2 235.291 0.422 20 0 BCADLO CCOC(=O)C[C@@H](O)COCc1[nH]cc[nH+]1 ZINC000600530620 344258863 /nfs/dbraw/zinc/25/88/63/344258863.db2.gz BRGHBKSMGYJVMJ-MRVPVSSYSA-N 1 2 228.248 0.240 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1[nH+]cnc2c1cnn2C ZINC000384936802 344270595 /nfs/dbraw/zinc/27/05/95/344270595.db2.gz JWYKTGKMHZUOPV-SFYZADRCSA-N 1 2 233.275 0.323 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769668 344284091 /nfs/dbraw/zinc/28/40/91/344284091.db2.gz JUHFSEKCCJSGHS-MFKMUULPSA-N 1 2 248.330 0.519 20 0 BCADLO CC(C)(C(=O)N1C[C@@H]2COC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000634775394 344298061 /nfs/dbraw/zinc/29/80/61/344298061.db2.gz GLOXMBWWSJUKTE-AOOOYVTPSA-N 1 2 249.314 0.792 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H]2COC[C@@H]2C1)n1cc[nH+]c1 ZINC000634773031 344290576 /nfs/dbraw/zinc/29/05/76/344290576.db2.gz MNLCKYJRUDMHMM-UTUOFQBUSA-N 1 2 249.314 0.939 20 0 BCADLO CC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133606844 344320266 /nfs/dbraw/zinc/32/02/66/344320266.db2.gz LDTXZOQFMIDQFS-VIFPVBQESA-N 1 2 215.293 0.833 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000300010020 344365262 /nfs/dbraw/zinc/36/52/62/344365262.db2.gz BVUNMXQPSCYHBU-LPEHRKFASA-N 1 2 227.304 0.687 20 0 BCADLO Cn1nnnc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000600648065 344351798 /nfs/dbraw/zinc/35/17/98/344351798.db2.gz XVSCWTPIKGBNJT-LBPRGKRZSA-N 1 2 247.302 0.207 20 0 BCADLO CC[C@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606966 344357550 /nfs/dbraw/zinc/35/75/50/344357550.db2.gz CENZHEVUPXHXKO-IUCAKERBSA-N 1 2 225.292 0.758 20 0 BCADLO CCN1CCN(c2nc(C)[nH+]cc2C)CC1=O ZINC000517041266 259375161 /nfs/dbraw/zinc/37/51/61/259375161.db2.gz LHQBYDPAEKUGSV-UHFFFAOYSA-N 1 2 234.303 0.762 20 0 BCADLO CCc1nsc(N2CC[N@H+](C)C[C@H]2CO)n1 ZINC000634802170 344385320 /nfs/dbraw/zinc/38/53/20/344385320.db2.gz ZHVZMNAPSBIZAD-QMMMGPOBSA-N 1 2 242.348 0.213 20 0 BCADLO CCc1nsc(N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC000634802170 344385322 /nfs/dbraw/zinc/38/53/22/344385322.db2.gz ZHVZMNAPSBIZAD-QMMMGPOBSA-N 1 2 242.348 0.213 20 0 BCADLO Cn1nccc1CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000385324771 344394324 /nfs/dbraw/zinc/39/43/24/344394324.db2.gz JHCOTPUVQGMSRH-UHFFFAOYSA-N 1 2 222.336 0.776 20 0 BCADLO Cc1cc(NC(=O)C2(C(N)=O)CC2)cc[nH+]1 ZINC000600929931 344399041 /nfs/dbraw/zinc/39/90/41/344399041.db2.gz BHRUXWYXGJXRIK-UHFFFAOYSA-N 1 2 219.244 0.016 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C)c1cccc(C#N)c1 ZINC000389298072 344411925 /nfs/dbraw/zinc/41/19/25/344411925.db2.gz AQFHPWZZEXKVPG-VIFPVBQESA-N 1 2 242.286 0.933 20 0 BCADLO CCCN(CC(=O)NC)c1cc(CO)cc[nH+]1 ZINC000641393151 362391173 /nfs/dbraw/zinc/39/11/73/362391173.db2.gz IYHSATUZMNOIBR-UHFFFAOYSA-N 1 2 237.303 0.536 20 0 BCADLO CC(=O)c1ccnc(N2CC[NH+](CCO)CC2)c1 ZINC000094727819 537845779 /nfs/dbraw/zinc/84/57/79/537845779.db2.gz KLRFLOPYPGHPJB-UHFFFAOYSA-N 1 2 249.314 0.399 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCCO1 ZINC000042469183 344455998 /nfs/dbraw/zinc/45/59/98/344455998.db2.gz YHYUDFUZQCIEMT-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCCO1 ZINC000042469183 344456000 /nfs/dbraw/zinc/45/60/00/344456000.db2.gz YHYUDFUZQCIEMT-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000152035459 344475840 /nfs/dbraw/zinc/47/58/40/344475840.db2.gz CAMJQIDPGWJOFU-UHFFFAOYSA-N 1 2 244.316 0.884 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(CO)cc[nH+]1 ZINC000641395902 362394552 /nfs/dbraw/zinc/39/45/52/362394552.db2.gz ZZQPWWPIDOWECU-ZETCQYMHSA-N 1 2 209.249 0.250 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000622309437 344490527 /nfs/dbraw/zinc/49/05/27/344490527.db2.gz QSLFSJSHZSKQNT-VHSXEESVSA-N 1 2 225.292 0.549 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(CO)cc[nH+]1 ZINC000641395893 362394742 /nfs/dbraw/zinc/39/47/42/362394742.db2.gz ZZQPWWPIDOWECU-SSDOTTSWSA-N 1 2 209.249 0.250 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1cc(CO)cc[nH+]1 ZINC000641422012 362406788 /nfs/dbraw/zinc/40/67/88/362406788.db2.gz UBZMSHVEVFOPFQ-LLVKDONJSA-N 1 2 222.288 0.781 20 0 BCADLO CCOC(=O)CCN(C)c1cc(CO)cc[nH+]1 ZINC000603316041 349912254 /nfs/dbraw/zinc/91/22/54/349912254.db2.gz CHFMOMSZSTWREJ-UHFFFAOYSA-N 1 2 238.287 0.963 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220524685 344544632 /nfs/dbraw/zinc/54/46/32/344544632.db2.gz IUJPLBUONZJVSF-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220524685 344544635 /nfs/dbraw/zinc/54/46/35/344544635.db2.gz IUJPLBUONZJVSF-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO OCc1cc[nH+]c(NCc2nnnn2C2CC2)c1 ZINC000641405206 362397543 /nfs/dbraw/zinc/39/75/43/362397543.db2.gz SFBJEMOICIAXAD-UHFFFAOYSA-N 1 2 246.274 0.507 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCCNC(C)=O)C(C)(C)C ZINC000127577691 344567000 /nfs/dbraw/zinc/56/70/00/344567000.db2.gz HMHWIVVNIYFCDK-SNVBAGLBSA-N 1 2 244.335 0.690 20 0 BCADLO CC(=O)N1CCN(c2cc(CO)cc[nH+]2)[C@H](C)C1 ZINC000641437952 362419062 /nfs/dbraw/zinc/41/90/62/362419062.db2.gz AIIVLGYPPRJTBD-SNVBAGLBSA-N 1 2 249.314 0.631 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1c1cc[nH+]cc1F ZINC000641438606 362419207 /nfs/dbraw/zinc/41/92/07/362419207.db2.gz DXVZEQMVLRMZMQ-DTWKUNHWSA-N 1 2 226.251 0.807 20 0 BCADLO CN1CCC[C@@H](Nc2cc[nH+]cc2F)C1=O ZINC000641441109 362420763 /nfs/dbraw/zinc/42/07/63/362420763.db2.gz OHOQRGFEOXVKKZ-SNVBAGLBSA-N 1 2 223.251 0.675 20 0 BCADLO C[C@H](CCS(C)(=O)=O)Nc1cc[nH+]cc1F ZINC000641441075 362421065 /nfs/dbraw/zinc/42/10/65/362421065.db2.gz LDGNMMYFVIWMRP-MRVPVSSYSA-N 1 2 246.307 0.878 20 0 BCADLO Cn1c[nH+]c(CSc2n[nH]c(CO)n2)c1 ZINC000641475820 362445336 /nfs/dbraw/zinc/44/53/36/362445336.db2.gz CQYYYHAAXUAKGO-UHFFFAOYSA-N 1 2 225.277 0.323 20 0 BCADLO Cn1c[nH+]cc1CCSc1n[nH]c(=O)[nH]1 ZINC000641475665 362445357 /nfs/dbraw/zinc/44/53/57/362445357.db2.gz AJTYLZJNFLPCNL-UHFFFAOYSA-N 1 2 225.277 0.579 20 0 BCADLO OCc1cc[nH+]c(NC[C@]2(O)CCOC2)c1 ZINC000641462032 362436423 /nfs/dbraw/zinc/43/64/23/362436423.db2.gz OJTPIRARJYPONX-LLVKDONJSA-N 1 2 224.260 0.137 20 0 BCADLO NC(=O)N[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641467273 362440331 /nfs/dbraw/zinc/44/03/31/362440331.db2.gz BYOLBOORYMEOMH-ZETCQYMHSA-N 1 2 224.239 0.468 20 0 BCADLO CCCCc1noc(C[N@H+](C)CCO)n1 ZINC000047953339 344581428 /nfs/dbraw/zinc/58/14/28/344581428.db2.gz ZINVTIFDXFSXKW-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCCCc1noc(C[N@@H+](C)CCO)n1 ZINC000047953339 344581429 /nfs/dbraw/zinc/58/14/29/344581429.db2.gz ZINVTIFDXFSXKW-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nc(C)no1 ZINC000048336098 344586570 /nfs/dbraw/zinc/58/65/70/344586570.db2.gz DKLARRDDNNNJOM-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nc(C)no1 ZINC000048336098 344586572 /nfs/dbraw/zinc/58/65/72/344586572.db2.gz DKLARRDDNNNJOM-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CO)no1 ZINC000048346799 344586713 /nfs/dbraw/zinc/58/67/13/344586713.db2.gz SGYSFYKFUUPYHQ-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CO)no1 ZINC000048346799 344586715 /nfs/dbraw/zinc/58/67/15/344586715.db2.gz SGYSFYKFUUPYHQ-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641548818 362491417 /nfs/dbraw/zinc/49/14/17/362491417.db2.gz PVDXHNXLDQXYEF-VIFPVBQESA-N 1 2 237.303 0.853 20 0 BCADLO O=C(CNc1cc[nH+]cc1F)NCC1CC1 ZINC000641483499 362450932 /nfs/dbraw/zinc/45/09/32/362450932.db2.gz QPALNVSBUBOBIG-UHFFFAOYSA-N 1 2 223.251 0.581 20 0 BCADLO CC(C)N1CCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641484223 362452303 /nfs/dbraw/zinc/45/23/03/362452303.db2.gz LNOKONDKRBKVDH-UHFFFAOYSA-N 1 2 249.314 0.631 20 0 BCADLO OCC(F)(F)CNc1cc[nH+]cc1F ZINC000641493725 362459472 /nfs/dbraw/zinc/45/94/72/362459472.db2.gz KZJKHXPXTIZENK-UHFFFAOYSA-N 1 2 206.167 0.682 20 0 BCADLO C[C@H](F)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641514351 362471051 /nfs/dbraw/zinc/47/10/51/362471051.db2.gz LDWQKVFAZRGGLU-VIFPVBQESA-N 1 2 249.311 0.551 20 0 BCADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1ncn(C)n1 ZINC000641519167 362473421 /nfs/dbraw/zinc/47/34/21/362473421.db2.gz UYJQGZNARIPSKW-QMMMGPOBSA-N 1 2 233.275 0.876 20 0 BCADLO C[C@H](CNc1cc[nH+]cc1F)c1nncn1C ZINC000641525621 362479643 /nfs/dbraw/zinc/47/96/43/362479643.db2.gz NZVYYXPEYNAVTF-MRVPVSSYSA-N 1 2 235.266 0.987 20 0 BCADLO O=C1C[C@]2(CCN(c3cc(CO)cc[nH+]3)C2)CN1 ZINC000641544307 362490923 /nfs/dbraw/zinc/49/09/23/362490923.db2.gz UVFKONFMFAWEAH-CYBMUJFWSA-N 1 2 247.298 0.290 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625999421 344660879 /nfs/dbraw/zinc/66/08/79/344660879.db2.gz RUSALICWQZVPLJ-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000625999421 344660881 /nfs/dbraw/zinc/66/08/81/344660881.db2.gz RUSALICWQZVPLJ-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625999329 344661208 /nfs/dbraw/zinc/66/12/08/344661208.db2.gz PMMPKEWQWMLHDD-ZJUUUORDSA-N 1 2 232.299 0.524 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000625999329 344661210 /nfs/dbraw/zinc/66/12/10/344661210.db2.gz PMMPKEWQWMLHDD-ZJUUUORDSA-N 1 2 232.299 0.524 20 0 BCADLO FCC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000626005088 344666814 /nfs/dbraw/zinc/66/68/14/344666814.db2.gz VERSGYTVXZIRQA-JTQLQIEISA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000626005088 344666815 /nfs/dbraw/zinc/66/68/15/344666815.db2.gz VERSGYTVXZIRQA-JTQLQIEISA-N 1 2 213.256 0.970 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@@H](CCF)C2)c1 ZINC000626005377 344667691 /nfs/dbraw/zinc/66/76/91/344667691.db2.gz BLMRZKSRGYQUEW-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005812 344668083 /nfs/dbraw/zinc/66/80/83/344668083.db2.gz KYEFMRWATQPDRT-JTQLQIEISA-N 1 2 245.298 0.072 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005812 344668084 /nfs/dbraw/zinc/66/80/84/344668084.db2.gz KYEFMRWATQPDRT-JTQLQIEISA-N 1 2 245.298 0.072 20 0 BCADLO Cc1csc(NC(=O)C[N@H+](C)CCO)n1 ZINC000049634128 344671178 /nfs/dbraw/zinc/67/11/78/344671178.db2.gz BXOKXFGZRYRGBG-UHFFFAOYSA-N 1 2 229.305 0.314 20 0 BCADLO Cc1csc(NC(=O)C[N@@H+](C)CCO)n1 ZINC000049634128 344671180 /nfs/dbraw/zinc/67/11/80/344671180.db2.gz BXOKXFGZRYRGBG-UHFFFAOYSA-N 1 2 229.305 0.314 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N[C@@H](CC2CC2)C1=O ZINC000349014972 344672741 /nfs/dbraw/zinc/67/27/41/344672741.db2.gz LUHVVXLTNYOORA-JTQLQIEISA-N 1 2 248.286 0.641 20 0 BCADLO CN1C[C@@H](C[N@H+](C)Cc2ccon2)OC1=O ZINC000496953680 530013572 /nfs/dbraw/zinc/01/35/72/530013572.db2.gz FVWHTQGSGZQRMR-SECBINFHSA-N 1 2 225.248 0.557 20 0 BCADLO CN1C[C@@H](C[N@@H+](C)Cc2ccon2)OC1=O ZINC000496953680 530013573 /nfs/dbraw/zinc/01/35/73/530013573.db2.gz FVWHTQGSGZQRMR-SECBINFHSA-N 1 2 225.248 0.557 20 0 BCADLO CN1C[C@H](C[N@H+](C)Cc2ccon2)OC1=O ZINC000496953682 530013695 /nfs/dbraw/zinc/01/36/95/530013695.db2.gz FVWHTQGSGZQRMR-VIFPVBQESA-N 1 2 225.248 0.557 20 0 BCADLO CN1C[C@H](C[N@@H+](C)Cc2ccon2)OC1=O ZINC000496953682 530013696 /nfs/dbraw/zinc/01/36/96/530013696.db2.gz FVWHTQGSGZQRMR-VIFPVBQESA-N 1 2 225.248 0.557 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)OC ZINC000050067368 344719463 /nfs/dbraw/zinc/71/94/63/344719463.db2.gz VPZKIJODCAJOIS-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC ZINC000050067368 344719464 /nfs/dbraw/zinc/71/94/64/344719464.db2.gz VPZKIJODCAJOIS-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H]2CO)o1 ZINC000050113625 344721247 /nfs/dbraw/zinc/72/12/47/344721247.db2.gz YXKAMIBEHOONEO-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H]2CO)o1 ZINC000050113625 344721249 /nfs/dbraw/zinc/72/12/49/344721249.db2.gz YXKAMIBEHOONEO-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077578 344722641 /nfs/dbraw/zinc/72/26/41/344722641.db2.gz MPXVIYLMTZZNMN-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccncc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077578 344722642 /nfs/dbraw/zinc/72/26/42/344722642.db2.gz MPXVIYLMTZZNMN-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000049751958 344686057 /nfs/dbraw/zinc/68/60/57/344686057.db2.gz NMMBWUBOMZXQBD-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@@H]2CO)o1 ZINC000049751958 344686059 /nfs/dbraw/zinc/68/60/59/344686059.db2.gz NMMBWUBOMZXQBD-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO C[N@H+](Cc1csnn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039849 344690405 /nfs/dbraw/zinc/69/04/05/344690405.db2.gz QEICHFCBHHMYDT-WRXNHJIOSA-N 1 2 226.305 0.234 20 0 BCADLO C[N@@H+](Cc1csnn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039849 344690408 /nfs/dbraw/zinc/69/04/08/344690408.db2.gz QEICHFCBHHMYDT-WRXNHJIOSA-N 1 2 226.305 0.234 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046655 344697730 /nfs/dbraw/zinc/69/77/30/344697730.db2.gz MWVIFUOJNLYVQX-AOOOYVTPSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046655 344697731 /nfs/dbraw/zinc/69/77/31/344697731.db2.gz MWVIFUOJNLYVQX-AOOOYVTPSA-N 1 2 224.308 0.501 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000049932680 344703003 /nfs/dbraw/zinc/70/30/03/344703003.db2.gz YGCSRXPMNGLJCL-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000049932680 344703004 /nfs/dbraw/zinc/70/30/04/344703004.db2.gz YGCSRXPMNGLJCL-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO COCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082276436 344713453 /nfs/dbraw/zinc/71/34/53/344713453.db2.gz BIEBFWOGQODIFY-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO C[C@H](NC(=O)c1cnn(C)c1)c1[nH+]ccn1C ZINC000082279310 344713985 /nfs/dbraw/zinc/71/39/85/344713985.db2.gz LUYCVOAVZAWRID-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)on1 ZINC000408231794 344754439 /nfs/dbraw/zinc/75/44/39/344754439.db2.gz JWVOWBVLHNNEOS-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)on1 ZINC000408231794 344754442 /nfs/dbraw/zinc/75/44/42/344754442.db2.gz JWVOWBVLHNNEOS-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075637115 344782522 /nfs/dbraw/zinc/78/25/22/344782522.db2.gz FREUIOPDMRWBPU-SECBINFHSA-N 1 2 247.298 0.106 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075637115 344782524 /nfs/dbraw/zinc/78/25/24/344782524.db2.gz FREUIOPDMRWBPU-SECBINFHSA-N 1 2 247.298 0.106 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1ccnn1 ZINC000075848808 344785547 /nfs/dbraw/zinc/78/55/47/344785547.db2.gz YTCXDPSOKOOWNM-JTQLQIEISA-N 1 2 248.290 0.070 20 0 BCADLO C[C@]1(C(N)=O)CCN(c2cc[nH+]cc2F)C1 ZINC000641547792 362495336 /nfs/dbraw/zinc/49/53/36/362495336.db2.gz VHLDSCWJRSGYIR-NSHDSACASA-N 1 2 223.251 0.922 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335941005 534968870 /nfs/dbraw/zinc/96/88/70/534968870.db2.gz MKTNCYLUEJBJLW-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335941005 534968871 /nfs/dbraw/zinc/96/88/71/534968871.db2.gz MKTNCYLUEJBJLW-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO Cc1[nH]c(CN(CC(N)=O)CC(C)C)[nH+]c1C ZINC000628140415 344805537 /nfs/dbraw/zinc/80/55/37/344805537.db2.gz JTGKHRANTGGUIR-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1ncc(C[N@@H+](CC(N)=O)CC(C)C)o1 ZINC000628140531 344805664 /nfs/dbraw/zinc/80/56/64/344805664.db2.gz OAZGOXRLVCUGOQ-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1ncc(C[N@H+](CC(N)=O)CC(C)C)o1 ZINC000628140531 344805666 /nfs/dbraw/zinc/80/56/66/344805666.db2.gz OAZGOXRLVCUGOQ-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO COCC[N@H+](CCC(F)(F)F)[C@@H](C)C(N)=O ZINC000077283053 344814999 /nfs/dbraw/zinc/81/49/99/344814999.db2.gz POLNOWQBZONSRA-ZETCQYMHSA-N 1 2 242.241 0.761 20 0 BCADLO COCC[N@@H+](CCC(F)(F)F)[C@@H](C)C(N)=O ZINC000077283053 344815002 /nfs/dbraw/zinc/81/50/02/344815002.db2.gz POLNOWQBZONSRA-ZETCQYMHSA-N 1 2 242.241 0.761 20 0 BCADLO COCC[N@H+](CCC(F)(F)F)[C@H](C)C(N)=O ZINC000077283057 344815253 /nfs/dbraw/zinc/81/52/53/344815253.db2.gz POLNOWQBZONSRA-SSDOTTSWSA-N 1 2 242.241 0.761 20 0 BCADLO COCC[N@@H+](CCC(F)(F)F)[C@H](C)C(N)=O ZINC000077283057 344815254 /nfs/dbraw/zinc/81/52/54/344815254.db2.gz POLNOWQBZONSRA-SSDOTTSWSA-N 1 2 242.241 0.761 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnc(C)o1 ZINC000628152490 344841200 /nfs/dbraw/zinc/84/12/00/344841200.db2.gz CYUTUVXRGGUIFR-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(C)o1 ZINC000628152490 344841201 /nfs/dbraw/zinc/84/12/01/344841201.db2.gz CYUTUVXRGGUIFR-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO COCC[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000077408884 344823659 /nfs/dbraw/zinc/82/36/59/344823659.db2.gz QTQOPPSBDOIFKD-LLVKDONJSA-N 1 2 240.278 0.930 20 0 BCADLO COCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000077408884 344823661 /nfs/dbraw/zinc/82/36/61/344823661.db2.gz QTQOPPSBDOIFKD-LLVKDONJSA-N 1 2 240.278 0.930 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853152 344828792 /nfs/dbraw/zinc/82/87/92/344828792.db2.gz WYCIFOKWQGHMDX-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853152 344828794 /nfs/dbraw/zinc/82/87/94/344828794.db2.gz WYCIFOKWQGHMDX-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628147916 344833123 /nfs/dbraw/zinc/83/31/23/344833123.db2.gz ADTMDBNIYXVGOX-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1[nH]c(CN2CCN3C(=O)CC[C@@H]3C2)[nH+]c1C ZINC000628159664 344855300 /nfs/dbraw/zinc/85/53/00/344855300.db2.gz VIKIHIAZJZVXJN-LLVKDONJSA-N 1 2 248.330 0.833 20 0 BCADLO OC[C@H](Nc1cc[nH+]cc1F)C1CCOCC1 ZINC000641548371 362496062 /nfs/dbraw/zinc/49/60/62/362496062.db2.gz KFAOPCRQRBNDRX-LBPRGKRZSA-N 1 2 240.278 0.842 20 0 BCADLO CC(C)OCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000078535188 344881735 /nfs/dbraw/zinc/88/17/35/344881735.db2.gz LGTILTJIPWHJAL-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)OCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000078535188 344881737 /nfs/dbraw/zinc/88/17/37/344881737.db2.gz LGTILTJIPWHJAL-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CCn1cc[nH+]c1CN(C)CCNC(C)=O ZINC000579116622 344937867 /nfs/dbraw/zinc/93/78/67/344937867.db2.gz AAGGYPCAGIDPSD-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1ccnc1C[N@H+](C)CCNC(C)=O ZINC000579116622 344937870 /nfs/dbraw/zinc/93/78/70/344937870.db2.gz AAGGYPCAGIDPSD-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1ccnc1C[N@@H+](C)CCNC(C)=O ZINC000579116622 344937871 /nfs/dbraw/zinc/93/78/71/344937871.db2.gz AAGGYPCAGIDPSD-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnn1C ZINC000070248616 344953452 /nfs/dbraw/zinc/95/34/52/344953452.db2.gz JQCJHSLSNZIIGM-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO C[C@H](Nc1cc(CO)cc[nH+]1)C(=O)NCCF ZINC000641555936 362500498 /nfs/dbraw/zinc/50/04/98/362500498.db2.gz SLSKWXJPSULHJN-QMMMGPOBSA-N 1 2 241.266 0.460 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@]2(O)C1 ZINC000641576718 362511830 /nfs/dbraw/zinc/51/18/30/362511830.db2.gz VLQGXFKICCCGOG-NRUUGDAUSA-N 1 2 247.298 0.039 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCO1 ZINC000154818636 345052838 /nfs/dbraw/zinc/05/28/38/345052838.db2.gz JIQXEHLTMMEJAS-VIFPVBQESA-N 1 2 221.260 0.609 20 0 BCADLO CCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000155335887 345077893 /nfs/dbraw/zinc/07/78/93/345077893.db2.gz HRDALLAMIPUDIW-UHFFFAOYSA-N 1 2 237.259 0.555 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)CC2CC2)CC1(C)C ZINC000641592712 362534286 /nfs/dbraw/zinc/53/42/86/362534286.db2.gz PEKGZVKTDAYDFD-UHFFFAOYSA-N 1 2 246.376 0.752 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)CC2CC2)CC1(C)C ZINC000641592712 362534290 /nfs/dbraw/zinc/53/42/90/362534290.db2.gz PEKGZVKTDAYDFD-UHFFFAOYSA-N 1 2 246.376 0.752 20 0 BCADLO Cn1nncc1CNc1cc(CO)cc[nH+]1 ZINC000641597749 362538500 /nfs/dbraw/zinc/53/85/00/362538500.db2.gz FSSYJDXZHAMBDR-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1ncnc2c1C[N@H+](C)CC2 ZINC000408292583 345063311 /nfs/dbraw/zinc/06/33/11/345063311.db2.gz UGTXXANSSNTWEQ-UWVGGRQHSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000408292583 345063313 /nfs/dbraw/zinc/06/33/13/345063313.db2.gz UGTXXANSSNTWEQ-UWVGGRQHSA-N 1 2 248.330 0.424 20 0 BCADLO CS(=O)(=O)CCCCNc1cc[nH+]cc1F ZINC000641642356 362568398 /nfs/dbraw/zinc/56/83/98/362568398.db2.gz VSQHXRKYHTXJKJ-UHFFFAOYSA-N 1 2 246.307 0.879 20 0 BCADLO O[C@@]1(CCNc2cc[nH+]cc2F)CCOC1 ZINC000641650880 362576447 /nfs/dbraw/zinc/57/64/47/362576447.db2.gz WJGOMROVEKNPOF-NSHDSACASA-N 1 2 226.251 0.596 20 0 BCADLO Cn1nnc2c1CC[C@@H](Nc1cc[nH+]cc1F)C2 ZINC000641655057 362578482 /nfs/dbraw/zinc/57/84/82/362578482.db2.gz BPPRRUMWMXMUCF-MRVPVSSYSA-N 1 2 247.277 0.741 20 0 BCADLO C[C@]1(CNc2cc[nH+]cc2F)CCC(=O)N1 ZINC000641625976 362555426 /nfs/dbraw/zinc/55/54/26/362555426.db2.gz YHCSRIIGXALCIS-LLVKDONJSA-N 1 2 223.251 0.723 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2ccon2)CC1=O ZINC000634983547 345166547 /nfs/dbraw/zinc/16/65/47/345166547.db2.gz RCUNFHYOSSTPKK-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO c1cc(C[NH2+]C2CN(c3ccncn3)C2)no1 ZINC000634988783 345171619 /nfs/dbraw/zinc/17/16/19/345171619.db2.gz HSSKKNVKHYTADL-UHFFFAOYSA-N 1 2 231.259 0.443 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156119388 345129397 /nfs/dbraw/zinc/12/93/97/345129397.db2.gz IOIWTKLWOJKCJW-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156119388 345129402 /nfs/dbraw/zinc/12/94/02/345129402.db2.gz IOIWTKLWOJKCJW-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO c1cc(CNCC[NH+]2CCSCC2)no1 ZINC000634961349 345135732 /nfs/dbraw/zinc/13/57/32/345135732.db2.gz RZPJSERWJDAQJD-UHFFFAOYSA-N 1 2 227.333 0.813 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000156223545 345140111 /nfs/dbraw/zinc/14/01/11/345140111.db2.gz PFZOOCVEBAZCEF-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000156223545 345140113 /nfs/dbraw/zinc/14/01/13/345140113.db2.gz PFZOOCVEBAZCEF-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccon2)CC1=O ZINC000634965403 345141220 /nfs/dbraw/zinc/14/12/20/345141220.db2.gz JQJVWCRIDBMQBW-IEBDPFPHSA-N 1 2 235.287 0.774 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316961 345141303 /nfs/dbraw/zinc/14/13/03/345141303.db2.gz DWEQGKHGQFVLHQ-DTWKUNHWSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316961 345141305 /nfs/dbraw/zinc/14/13/05/345141305.db2.gz DWEQGKHGQFVLHQ-DTWKUNHWSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccon2)CC1=O ZINC000634965402 345141373 /nfs/dbraw/zinc/14/13/73/345141373.db2.gz JQJVWCRIDBMQBW-FBIMIBRVSA-N 1 2 235.287 0.774 20 0 BCADLO C[NH+]1CCN(C(=O)c2coc(CO)c2)CC1 ZINC000635056957 345230978 /nfs/dbraw/zinc/23/09/78/345230978.db2.gz NGLUPNNYGPOBDA-UHFFFAOYSA-N 1 2 224.260 0.160 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCCOC)[nH+]1 ZINC000635067657 345236569 /nfs/dbraw/zinc/23/65/69/345236569.db2.gz ZHWAIUAQARAYCG-UHFFFAOYSA-N 1 2 225.292 0.667 20 0 BCADLO C[C@H](C[S@](C)=O)Nc1cc[nH+]cc1F ZINC000603332655 349925835 /nfs/dbraw/zinc/92/58/35/349925835.db2.gz BQUKJRALFFWXIP-UOWDBTKRSA-N 1 2 216.281 0.822 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCO[C@H](C)C2)[nH+]1 ZINC000635163607 345262178 /nfs/dbraw/zinc/26/21/78/345262178.db2.gz HXORIINAVDWFHO-SECBINFHSA-N 1 2 237.303 0.762 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000408468765 345320965 /nfs/dbraw/zinc/32/09/65/345320965.db2.gz RIXOQWLHIJPKEM-WEDXCCLWSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000408468765 345320968 /nfs/dbraw/zinc/32/09/68/345320968.db2.gz RIXOQWLHIJPKEM-WEDXCCLWSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635224325 345278118 /nfs/dbraw/zinc/27/81/18/345278118.db2.gz MZROUUMUHORRMZ-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635224325 345278119 /nfs/dbraw/zinc/27/81/19/345278119.db2.gz MZROUUMUHORRMZ-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO CC(C)C[C@H](C(=O)N(C)CCO)n1cc[nH+]c1 ZINC000635249745 345286982 /nfs/dbraw/zinc/28/69/82/345286982.db2.gz YJMJRKWEVGNBHE-LLVKDONJSA-N 1 2 239.319 0.921 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000635326851 345308699 /nfs/dbraw/zinc/30/86/99/345308699.db2.gz MBAOBBPERGRYBF-MRVPVSSYSA-N 1 2 233.275 0.733 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000158253292 345311861 /nfs/dbraw/zinc/31/18/61/345311861.db2.gz BUOPPHICSOXQJY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000158253292 345311862 /nfs/dbraw/zinc/31/18/62/345311862.db2.gz BUOPPHICSOXQJY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO COCCCC[N@H+](C)Cc1ncnn1C ZINC000080658405 345404814 /nfs/dbraw/zinc/40/48/14/345404814.db2.gz WJQSWKVWEODCPI-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO COCCCC[N@@H+](C)Cc1ncnn1C ZINC000080658405 345404816 /nfs/dbraw/zinc/40/48/16/345404816.db2.gz WJQSWKVWEODCPI-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CN(c1cccc[nH+]1)[C@@H]1CCN(C)C1=O ZINC000080693732 345436858 /nfs/dbraw/zinc/43/68/58/345436858.db2.gz QYVYEGVQGZVZIM-SECBINFHSA-N 1 2 205.261 0.749 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)[C@H](C)CO ZINC000159458786 345437564 /nfs/dbraw/zinc/43/75/64/345437564.db2.gz OOYGGGSBSHNYNW-SNVBAGLBSA-N 1 2 226.324 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@H](C)CO ZINC000159458786 345437567 /nfs/dbraw/zinc/43/75/67/345437567.db2.gz OOYGGGSBSHNYNW-SNVBAGLBSA-N 1 2 226.324 0.747 20 0 BCADLO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)C(=O)OC ZINC000158979569 345396342 /nfs/dbraw/zinc/39/63/42/345396342.db2.gz BOJKIDTUVUKNRA-GXSJLCMTSA-N 1 2 231.292 0.333 20 0 BCADLO O=C(CC1CC1)NCC[NH+]1CCOCC1 ZINC000082268446 345499467 /nfs/dbraw/zinc/49/94/67/345499467.db2.gz AIMHFFFFZUKBCW-UHFFFAOYSA-N 1 2 212.293 0.235 20 0 BCADLO CC(=O)N1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641674416 362591242 /nfs/dbraw/zinc/59/12/42/362591242.db2.gz HNCJQASJFGPERF-LLVKDONJSA-N 1 2 235.287 0.607 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC(=O)NC2)[nH+]1 ZINC000080973184 345456827 /nfs/dbraw/zinc/45/68/27/345456827.db2.gz RRTCXKRVARIFMH-MRVPVSSYSA-N 1 2 245.286 0.957 20 0 BCADLO CC(=O)c1cnc(NC(=O)C[NH+](C)C)s1 ZINC000173658351 187305100 /nfs/dbraw/zinc/30/51/00/187305100.db2.gz PXDDHJAKISQEOZ-UHFFFAOYSA-N 1 2 227.289 0.846 20 0 BCADLO Cc1nc2[nH]ccc2c(NC(CO)CO)[nH+]1 ZINC000081005201 345460843 /nfs/dbraw/zinc/46/08/43/345460843.db2.gz DNIXRTSLEURAIS-UHFFFAOYSA-N 1 2 222.248 0.031 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCCOC2)[nH+]1 ZINC000635530422 345461101 /nfs/dbraw/zinc/46/11/01/345461101.db2.gz APOKLOYAWNCMMN-SNVBAGLBSA-N 1 2 237.303 0.810 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCn1cccn1)C1CC1 ZINC000081154120 345463517 /nfs/dbraw/zinc/46/35/17/345463517.db2.gz YGRQSNXUYONBEM-GFCCVEGCSA-N 1 2 237.303 0.814 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635530881 345464878 /nfs/dbraw/zinc/46/48/78/345464878.db2.gz LZADMJOGBCBLGA-IVZWLZJFSA-N 1 2 235.287 0.808 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635530881 345464880 /nfs/dbraw/zinc/46/48/80/345464880.db2.gz LZADMJOGBCBLGA-IVZWLZJFSA-N 1 2 235.287 0.808 20 0 BCADLO CC(C)[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081292459 345469076 /nfs/dbraw/zinc/46/90/76/345469076.db2.gz JSPOXLAARWTILT-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081292459 345469077 /nfs/dbraw/zinc/46/90/77/345469077.db2.gz JSPOXLAARWTILT-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081419273 345473629 /nfs/dbraw/zinc/47/36/29/345473629.db2.gz BLOXKMXSHPLSRZ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081419273 345473631 /nfs/dbraw/zinc/47/36/31/345473631.db2.gz BLOXKMXSHPLSRZ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CNC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000084715528 345520836 /nfs/dbraw/zinc/52/08/36/345520836.db2.gz CVEQGLAXKQNBMF-UHFFFAOYSA-N 1 2 239.241 0.896 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000221470988 345539792 /nfs/dbraw/zinc/53/97/92/345539792.db2.gz UFOSCOAEGNVTLL-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO Cn1c[nH+]cc1CN(CCO)CC(F)F ZINC000194861921 192089316 /nfs/dbraw/zinc/08/93/16/192089316.db2.gz UHSSELNKTAVJMF-UHFFFAOYSA-N 1 2 219.235 0.480 20 0 BCADLO NC(=O)c1cncc(NCCCn2cc[nH+]c2)n1 ZINC000091424817 345592468 /nfs/dbraw/zinc/59/24/68/345592468.db2.gz JFQVRBFSNWAQGP-UHFFFAOYSA-N 1 2 246.274 0.274 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580149 345597976 /nfs/dbraw/zinc/59/79/76/345597976.db2.gz NRYZMZBJHLTQNZ-DTWKUNHWSA-N 1 2 240.307 0.223 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580149 345597982 /nfs/dbraw/zinc/59/79/82/345597982.db2.gz NRYZMZBJHLTQNZ-DTWKUNHWSA-N 1 2 240.307 0.223 20 0 BCADLO C[N@H+](CCc1cccs1)Cc1n[nH]c(=O)[nH]1 ZINC000091584080 345599165 /nfs/dbraw/zinc/59/91/65/345599165.db2.gz WAXOHKAQLWVDRB-UHFFFAOYSA-N 1 2 238.316 0.834 20 0 BCADLO C[N@@H+](CCc1cccs1)Cc1n[nH]c(=O)[nH]1 ZINC000091584080 345599167 /nfs/dbraw/zinc/59/91/67/345599167.db2.gz WAXOHKAQLWVDRB-UHFFFAOYSA-N 1 2 238.316 0.834 20 0 BCADLO COC(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000092217288 345608179 /nfs/dbraw/zinc/60/81/79/345608179.db2.gz OPRMENLHVUVWQI-UHFFFAOYSA-N 1 2 223.276 0.899 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000635550472 345609869 /nfs/dbraw/zinc/60/98/69/345609869.db2.gz FYYQIJCFWLDKJM-WAAGHKOSSA-N 1 2 206.245 0.521 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865208 345612173 /nfs/dbraw/zinc/61/21/73/345612173.db2.gz XEQZRAFEGFBCKS-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO Cc1ccoc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865208 345612174 /nfs/dbraw/zinc/61/21/74/345612174.db2.gz XEQZRAFEGFBCKS-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCNC2=O)cc[nH+]1 ZINC000635550345 345616702 /nfs/dbraw/zinc/61/67/02/345616702.db2.gz BXQFDHOMPMWBPH-GFCCVEGCSA-N 1 2 233.271 0.277 20 0 BCADLO OCc1cc[nH+]c(NCCOCCF)c1 ZINC000641673195 362597955 /nfs/dbraw/zinc/59/79/55/362597955.db2.gz NSRGVTQHTJCIRV-UHFFFAOYSA-N 1 2 214.240 0.972 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)NCC1CCC1 ZINC000091077807 345582058 /nfs/dbraw/zinc/58/20/58/345582058.db2.gz NRFSACLVGWHVNW-UHFFFAOYSA-N 1 2 248.330 0.684 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)NCC1CCC1 ZINC000091077807 345582059 /nfs/dbraw/zinc/58/20/59/345582059.db2.gz NRFSACLVGWHVNW-UHFFFAOYSA-N 1 2 248.330 0.684 20 0 BCADLO C[S@@](=O)C1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000603367845 349934314 /nfs/dbraw/zinc/93/43/14/349934314.db2.gz BVWJORKQIFOYQY-MRXNPFEDSA-N 1 2 240.328 0.897 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CCN(C)C2=O)cc[nH+]1 ZINC000635552850 345644163 /nfs/dbraw/zinc/64/41/63/345644163.db2.gz ZCNVZUJRHTVJHX-CYBMUJFWSA-N 1 2 247.298 0.619 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H]2C[C@]2(O)C1 ZINC000641712227 362623585 /nfs/dbraw/zinc/62/35/85/362623585.db2.gz MTGJAWXYVACANA-KWQFWETISA-N 1 2 206.245 0.661 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000622628415 345668489 /nfs/dbraw/zinc/66/84/89/345668489.db2.gz WGKXQXGYGWRAMI-JTQLQIEISA-N 1 2 239.319 0.582 20 0 BCADLO OCc1cc[nH+]c(N[C@H]2CCC[C@@H]2O)c1 ZINC000641683566 362603033 /nfs/dbraw/zinc/60/30/33/362603033.db2.gz LFABMZNSKGYWLO-UWVGGRQHSA-N 1 2 208.261 0.899 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000093344976 345655611 /nfs/dbraw/zinc/65/56/11/345655611.db2.gz MJOBXVZYUSZRLE-BDAKNGLRSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000093344976 345655614 /nfs/dbraw/zinc/65/56/14/345655614.db2.gz MJOBXVZYUSZRLE-BDAKNGLRSA-N 1 2 222.292 0.262 20 0 BCADLO CC[C@H](CO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622628275 345668772 /nfs/dbraw/zinc/66/87/72/345668772.db2.gz REHNNEKOKHMUPN-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO COCc1cc(C[NH2+][C@H](C)C(=O)N(C)C)no1 ZINC000641733686 362654407 /nfs/dbraw/zinc/65/44/07/362654407.db2.gz SWPTULSEZOFKMQ-MRVPVSSYSA-N 1 2 241.291 0.387 20 0 BCADLO COCCn1cc[nH+]c1CN1CCOCC1 ZINC000641723233 362639525 /nfs/dbraw/zinc/63/95/25/362639525.db2.gz ZPBARIBVZCHXCM-UHFFFAOYSA-N 1 2 225.292 0.362 20 0 BCADLO COc1ccc[nH+]c1NCCNC(=O)N(C)C ZINC000128242685 345739642 /nfs/dbraw/zinc/73/96/42/345739642.db2.gz YBBUFNSVTLNWLL-UHFFFAOYSA-N 1 2 238.291 0.773 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000144198850 345708866 /nfs/dbraw/zinc/70/88/66/345708866.db2.gz PUVRJBULKCYKIR-UHFFFAOYSA-N 1 2 234.365 0.610 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000145944517 345712733 /nfs/dbraw/zinc/71/27/33/345712733.db2.gz POLUNRNNBFZBBC-VIFPVBQESA-N 1 2 200.282 0.089 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000145944517 345712736 /nfs/dbraw/zinc/71/27/36/345712736.db2.gz POLUNRNNBFZBBC-VIFPVBQESA-N 1 2 200.282 0.089 20 0 BCADLO Cc1[nH]c(C(=O)NCCO[C@H]2CC2(F)F)c[nH+]1 ZINC000618128382 345851877 /nfs/dbraw/zinc/85/18/77/345851877.db2.gz AYYNJFVFIPIBIK-QMMMGPOBSA-N 1 2 245.229 0.872 20 0 BCADLO CCc1cc(NCCNc2cnccn2)nc[nH+]1 ZINC000603380298 349939231 /nfs/dbraw/zinc/93/92/31/349939231.db2.gz AIDDRUAKSVRUSB-UHFFFAOYSA-N 1 2 244.302 0.197 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)c2cnn(C)c2)[nH+]1 ZINC000635599017 345887064 /nfs/dbraw/zinc/88/70/64/345887064.db2.gz HTPKDVDZNQGWHF-UHFFFAOYSA-N 1 2 247.302 0.911 20 0 BCADLO Cc1cn2ccc(C(=O)NCCC(N)=O)cc2[nH+]1 ZINC000635599495 345887497 /nfs/dbraw/zinc/88/74/97/345887497.db2.gz FMFALSQEJHHSPV-UHFFFAOYSA-N 1 2 246.270 0.248 20 0 BCADLO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635617504 345895537 /nfs/dbraw/zinc/89/55/37/345895537.db2.gz HTDMOVVXUZOUFR-BFLSOPEQSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635617504 345895541 /nfs/dbraw/zinc/89/55/41/345895541.db2.gz HTDMOVVXUZOUFR-BFLSOPEQSA-N 1 2 249.314 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC[C@@H](C)O)[nH+]1 ZINC000635581115 345877199 /nfs/dbraw/zinc/87/71/99/345877199.db2.gz QIUZDEZLMFPHIU-MRVPVSSYSA-N 1 2 225.292 0.402 20 0 BCADLO Cc1nc[nH]c1C(=O)NCc1[nH]c[nH+]c1C ZINC000635638454 345912104 /nfs/dbraw/zinc/91/21/04/345912104.db2.gz SQYXGJJCIIVCTG-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620878123 345921930 /nfs/dbraw/zinc/92/19/30/345921930.db2.gz NDBKKSBWUXPGDM-IWSPIJDZSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620878123 345921931 /nfs/dbraw/zinc/92/19/31/345921931.db2.gz NDBKKSBWUXPGDM-IWSPIJDZSA-N 1 2 235.287 0.154 20 0 BCADLO COc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cn1 ZINC000364144770 187312342 /nfs/dbraw/zinc/31/23/42/187312342.db2.gz PRDBIUKUMAZPGN-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cn1 ZINC000364144770 187312344 /nfs/dbraw/zinc/31/23/44/187312344.db2.gz PRDBIUKUMAZPGN-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO Cc1ccnc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000605570161 345967013 /nfs/dbraw/zinc/96/70/13/345967013.db2.gz YGNWLBNCKGMDKF-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000605570161 345967014 /nfs/dbraw/zinc/96/70/14/345967014.db2.gz YGNWLBNCKGMDKF-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000605570743 345968553 /nfs/dbraw/zinc/96/85/53/345968553.db2.gz CLCMYKOFWXZDMH-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000605570743 345968555 /nfs/dbraw/zinc/96/85/55/345968555.db2.gz CLCMYKOFWXZDMH-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)C1CC1 ZINC000635693453 345979239 /nfs/dbraw/zinc/97/92/39/345979239.db2.gz CMUJDLRHGLTIFD-NXEZZACHSA-N 1 2 235.287 0.497 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)C1CC1 ZINC000635693453 345979240 /nfs/dbraw/zinc/97/92/40/345979240.db2.gz CMUJDLRHGLTIFD-NXEZZACHSA-N 1 2 235.287 0.497 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC[C@H](O)CC)[nH+]1 ZINC000635696999 345985406 /nfs/dbraw/zinc/98/54/06/345985406.db2.gz PFYWMDODQUXEKH-SNVBAGLBSA-N 1 2 239.319 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)CCO)[nH+]1 ZINC000635699472 345987652 /nfs/dbraw/zinc/98/76/52/345987652.db2.gz RGDKZNAHZVMDLE-VIFPVBQESA-N 1 2 239.319 0.792 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635755038 346050730 /nfs/dbraw/zinc/05/07/30/346050730.db2.gz SIDCZMKJVLZZCE-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635755038 346050732 /nfs/dbraw/zinc/05/07/32/346050732.db2.gz SIDCZMKJVLZZCE-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(C)(OC)C2)[nH+]1 ZINC000635754126 346050769 /nfs/dbraw/zinc/05/07/69/346050769.db2.gz UUVIFNGALSENFC-UHFFFAOYSA-N 1 2 237.303 0.762 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000635756773 346051389 /nfs/dbraw/zinc/05/13/89/346051389.db2.gz JGHPYJVJHUJETM-WPRPVWTQSA-N 1 2 237.303 0.354 20 0 BCADLO O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635760532 346053423 /nfs/dbraw/zinc/05/34/23/346053423.db2.gz TUDOIJWDYLQPIO-GMTAPVOTSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635760532 346053426 /nfs/dbraw/zinc/05/34/26/346053426.db2.gz TUDOIJWDYLQPIO-GMTAPVOTSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635715700 346026197 /nfs/dbraw/zinc/02/61/97/346026197.db2.gz KXFRGFJGIXOOJV-XHNCKOQMSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635715700 346026198 /nfs/dbraw/zinc/02/61/98/346026198.db2.gz KXFRGFJGIXOOJV-XHNCKOQMSA-N 1 2 235.287 0.154 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000617866080 346044702 /nfs/dbraw/zinc/04/47/02/346044702.db2.gz HFYGCGSAJBEJFZ-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000617866080 346044703 /nfs/dbraw/zinc/04/47/03/346044703.db2.gz HFYGCGSAJBEJFZ-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO CC(C)(CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635745315 346045866 /nfs/dbraw/zinc/04/58/66/346045866.db2.gz SXSNTSPLVBAUTJ-RKDXNWHRSA-N 1 2 237.303 0.790 20 0 BCADLO CC(C)(CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635745315 346045868 /nfs/dbraw/zinc/04/58/68/346045868.db2.gz SXSNTSPLVBAUTJ-RKDXNWHRSA-N 1 2 237.303 0.790 20 0 BCADLO O=C(NC1(CO)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635738767 346046079 /nfs/dbraw/zinc/04/60/79/346046079.db2.gz BYBOXCARDUNXKF-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO O=C(NC1(CO)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635738767 346046082 /nfs/dbraw/zinc/04/60/82/346046082.db2.gz BYBOXCARDUNXKF-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(C)C2)[nH+]1 ZINC000635859429 346087215 /nfs/dbraw/zinc/08/72/15/346087215.db2.gz ROKHJJSEHMHVKX-UHFFFAOYSA-N 1 2 207.277 0.993 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC000635852094 346090742 /nfs/dbraw/zinc/09/07/42/346090742.db2.gz IJSSQMFYWFNWRV-SCZZXKLOSA-N 1 2 237.303 0.496 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCC[C@H](C)O)[nH+]1 ZINC000635869444 346098544 /nfs/dbraw/zinc/09/85/44/346098544.db2.gz QNEXUODFOWXTGL-VIFPVBQESA-N 1 2 239.319 0.792 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000193619750 187315388 /nfs/dbraw/zinc/31/53/88/187315388.db2.gz LSVBWNOSGKJLHL-NSHDSACASA-N 1 2 234.303 0.823 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000193619750 187315389 /nfs/dbraw/zinc/31/53/89/187315389.db2.gz LSVBWNOSGKJLHL-NSHDSACASA-N 1 2 234.303 0.823 20 0 BCADLO CCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916970 346064427 /nfs/dbraw/zinc/06/44/27/346064427.db2.gz QYKOPCOCVWVZAM-UHFFFAOYSA-N 1 2 214.309 0.577 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635991159 346142153 /nfs/dbraw/zinc/14/21/53/346142153.db2.gz WGOVBSVVCXDOOY-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635991159 346142155 /nfs/dbraw/zinc/14/21/55/346142155.db2.gz WGOVBSVVCXDOOY-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO COCc1nsc(NCC2([NH+](C)C)CC2)n1 ZINC000419002564 192097436 /nfs/dbraw/zinc/09/74/36/192097436.db2.gz CAMGTGZXCVRIAX-UHFFFAOYSA-N 1 2 242.348 0.613 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCOC[C@@H]2C)[nH+]1 ZINC000635974428 346129252 /nfs/dbraw/zinc/12/92/52/346129252.db2.gz AUYJOUPCOWIZBK-VIFPVBQESA-N 1 2 237.303 0.762 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563281595 323107983 /nfs/dbraw/zinc/10/79/83/323107983.db2.gz ABRDUZMNDARPCU-ZETCQYMHSA-N 1 2 238.291 0.286 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)c2[nH+]ccn21 ZINC000635994944 346144777 /nfs/dbraw/zinc/14/47/77/346144777.db2.gz KBHZNCYNEVJGPF-AXTSPUMRSA-N 1 2 235.287 0.776 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@]3(CCOC3)C2)o1 ZINC000628240183 346200369 /nfs/dbraw/zinc/20/03/69/346200369.db2.gz TWTUAYNGUAWWTQ-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@]3(CCOC3)C2)o1 ZINC000628240183 346200372 /nfs/dbraw/zinc/20/03/72/346200372.db2.gz TWTUAYNGUAWWTQ-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](C)C[C@@H]2C(N)=O)[nH+]1 ZINC000628241592 346201000 /nfs/dbraw/zinc/20/10/00/346201000.db2.gz BDEMYYYWPCPBMZ-PSASIEDQSA-N 1 2 236.319 0.804 20 0 BCADLO CCc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC000673677303 488303040 /nfs/dbraw/zinc/30/30/40/488303040.db2.gz BNJBZSDZIVBVRM-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000151090683 346214718 /nfs/dbraw/zinc/21/47/18/346214718.db2.gz XDEMWNKFHZJHON-MPJRPATESA-N 1 2 202.685 0.949 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000151090683 346214720 /nfs/dbraw/zinc/21/47/20/346214720.db2.gz XDEMWNKFHZJHON-MPJRPATESA-N 1 2 202.685 0.949 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](C)O[C@@H](CO)C2)[nH+]c1C ZINC000628247225 346214770 /nfs/dbraw/zinc/21/47/70/346214770.db2.gz SLXVMJSVOXMNSY-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000151084054 346214926 /nfs/dbraw/zinc/21/49/26/346214926.db2.gz NRMZLFAZQMWOSE-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000151084054 346214930 /nfs/dbraw/zinc/21/49/30/346214930.db2.gz NRMZLFAZQMWOSE-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO Cc1c[nH]c(CN2CC(F)(F)C[C@H]2CO)[nH+]1 ZINC000628243827 346207760 /nfs/dbraw/zinc/20/77/60/346207760.db2.gz IQSOWLSSQLRWEW-QMMMGPOBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000628243985 346208212 /nfs/dbraw/zinc/20/82/12/346208212.db2.gz OQPGIXSQFKKAGR-BDAKNGLRSA-N 1 2 214.240 0.888 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000628243985 346208214 /nfs/dbraw/zinc/20/82/14/346208214.db2.gz OQPGIXSQFKKAGR-BDAKNGLRSA-N 1 2 214.240 0.888 20 0 BCADLO Cc1c[nH]c(CN2CCOC[C@@H]2c2ncon2)[nH+]1 ZINC000628235577 346189106 /nfs/dbraw/zinc/18/91/06/346189106.db2.gz SWPLCRYHDNKJMM-SECBINFHSA-N 1 2 249.274 0.675 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@@H](CO)C2)[nH+]1 ZINC000628246780 346213967 /nfs/dbraw/zinc/21/39/67/346213967.db2.gz CKDMVWKBVSEERW-NXEZZACHSA-N 1 2 225.292 0.300 20 0 BCADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](O)C1 ZINC000074313780 537955259 /nfs/dbraw/zinc/95/52/59/537955259.db2.gz IZWIPAQXLCZNLT-SFYZADRCSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](O)C1 ZINC000074313780 537955267 /nfs/dbraw/zinc/95/52/67/537955267.db2.gz IZWIPAQXLCZNLT-SFYZADRCSA-N 1 2 241.316 0.537 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000628238134 346194884 /nfs/dbraw/zinc/19/48/84/346194884.db2.gz MKNTXBIQSFYGRF-NSHDSACASA-N 1 2 236.319 0.235 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000628238134 346194886 /nfs/dbraw/zinc/19/48/86/346194886.db2.gz MKNTXBIQSFYGRF-NSHDSACASA-N 1 2 236.319 0.235 20 0 BCADLO CCc1cc(N2CCS(=O)(=O)CC2)nc[nH+]1 ZINC000603391454 349943555 /nfs/dbraw/zinc/94/35/55/349943555.db2.gz ZXZZAYHCHDHDFR-UHFFFAOYSA-N 1 2 241.316 0.274 20 0 BCADLO COCC[N@H+](Cc1nc(C)c[nH]1)[C@H]1CCOC1 ZINC000628254324 346234869 /nfs/dbraw/zinc/23/48/69/346234869.db2.gz XFVTYHWWCXOGKZ-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+](Cc1nc(C)c[nH]1)[C@H]1CCOC1 ZINC000628254324 346234872 /nfs/dbraw/zinc/23/48/72/346234872.db2.gz XFVTYHWWCXOGKZ-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO Cc1c[nH]c(CN2CCn3cnnc3[C@H]2C)[nH+]1 ZINC000628251478 346222118 /nfs/dbraw/zinc/22/21/18/346222118.db2.gz ILBVXSBTLUZJOP-SECBINFHSA-N 1 2 232.291 0.886 20 0 BCADLO CC[N@H+](Cc1cnc(C)o1)[C@@H]1CCNC1=O ZINC000628261746 346260920 /nfs/dbraw/zinc/26/09/20/346260920.db2.gz JKYDMFCYYZTCJC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1cnc(C)o1)[C@@H]1CCNC1=O ZINC000628261746 346260925 /nfs/dbraw/zinc/26/09/25/346260925.db2.gz JKYDMFCYYZTCJC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC000628264649 346264767 /nfs/dbraw/zinc/26/47/67/346264767.db2.gz WPBNDRJZYVVESE-AOOOYVTPSA-N 1 2 223.276 0.318 20 0 BCADLO Cc1cccc(C(=O)NCC[NH+]2CCOCC2)n1 ZINC000043586089 179017396 /nfs/dbraw/zinc/01/73/96/179017396.db2.gz SLPZXGDARNRFQO-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307943122 346296731 /nfs/dbraw/zinc/29/67/31/346296731.db2.gz FBLGBSJRZBHYFK-RXMQYKEDSA-N 1 2 237.168 0.517 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636053084 346300306 /nfs/dbraw/zinc/30/03/06/346300306.db2.gz NYFVIQQELXMAMK-LMLFDSFASA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636053084 346300307 /nfs/dbraw/zinc/30/03/07/346300307.db2.gz NYFVIQQELXMAMK-LMLFDSFASA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636126715 346327348 /nfs/dbraw/zinc/32/73/48/346327348.db2.gz HAMFELHRBZWWPF-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636126715 346327351 /nfs/dbraw/zinc/32/73/51/346327351.db2.gz HAMFELHRBZWWPF-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000636077791 346312916 /nfs/dbraw/zinc/31/29/16/346312916.db2.gz ZBYOHYCGBSPDDI-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636121466 346325028 /nfs/dbraw/zinc/32/50/28/346325028.db2.gz KMFJPZBDRCNIHV-CDPPZIPSSA-N 1 2 247.298 0.949 20 0 BCADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636121466 346325032 /nfs/dbraw/zinc/32/50/32/346325032.db2.gz KMFJPZBDRCNIHV-CDPPZIPSSA-N 1 2 247.298 0.949 20 0 BCADLO COCc1noc(C[N@@H+](C)C2(COC)CC2)n1 ZINC000679152585 488313677 /nfs/dbraw/zinc/31/36/77/488313677.db2.gz ZANGLFVJDMRZFT-UHFFFAOYSA-N 1 2 241.291 0.827 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636201499 346351496 /nfs/dbraw/zinc/35/14/96/346351496.db2.gz LWRREAVFSPJMKN-BTQIBKBOSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636201499 346351499 /nfs/dbraw/zinc/35/14/99/346351499.db2.gz LWRREAVFSPJMKN-BTQIBKBOSA-N 1 2 249.314 0.885 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC3(COC3)C2)[nH+]1 ZINC000636243854 346367381 /nfs/dbraw/zinc/36/73/81/346367381.db2.gz STLFNUWBGAVINZ-UHFFFAOYSA-N 1 2 249.314 0.764 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2([C@H](C)O)CC2)[nH+]1 ZINC000636227117 346360360 /nfs/dbraw/zinc/36/03/60/346360360.db2.gz OIZISVXAJLFEBV-QMMMGPOBSA-N 1 2 237.303 0.544 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@H]3C[C@H](O)C3)cc2[nH+]1 ZINC000636230441 346362476 /nfs/dbraw/zinc/36/24/76/346362476.db2.gz AVALCYGGQYZZTP-XYPYZODXSA-N 1 2 245.282 0.896 20 0 BCADLO CC(C)(CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000684463789 488316815 /nfs/dbraw/zinc/31/68/15/488316815.db2.gz FGNCHQRJIVLBFM-UHFFFAOYSA-N 1 2 225.292 0.477 20 0 BCADLO CC(C)(CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000684463789 488316817 /nfs/dbraw/zinc/31/68/17/488316817.db2.gz FGNCHQRJIVLBFM-UHFFFAOYSA-N 1 2 225.292 0.477 20 0 BCADLO CO[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000618136564 346370873 /nfs/dbraw/zinc/37/08/73/346370873.db2.gz NXKNJSQZWJQMJQ-ZETCQYMHSA-N 1 2 211.265 0.412 20 0 BCADLO CO[C@@H](C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000618136564 346370875 /nfs/dbraw/zinc/37/08/75/346370875.db2.gz NXKNJSQZWJQMJQ-ZETCQYMHSA-N 1 2 211.265 0.412 20 0 BCADLO CN(Cc1cn[nH]c1)Cc1[nH+]ccn1C ZINC000085825483 537971835 /nfs/dbraw/zinc/97/18/35/537971835.db2.gz VMWXPRCPVNNXJN-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cc1nccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000396897889 349956977 /nfs/dbraw/zinc/95/69/77/349956977.db2.gz AIGKRAIZLNPYIC-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000156420111 346368683 /nfs/dbraw/zinc/36/86/83/346368683.db2.gz QWDXGOAWXWLQJJ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000173194704 346390838 /nfs/dbraw/zinc/39/08/38/346390838.db2.gz UINWZUUNRCGGBP-UHFFFAOYSA-N 1 2 208.269 0.020 20 0 BCADLO CC[N@@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000173194704 346390841 /nfs/dbraw/zinc/39/08/41/346390841.db2.gz UINWZUUNRCGGBP-UHFFFAOYSA-N 1 2 208.269 0.020 20 0 BCADLO CC(C)OC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000636323416 346395096 /nfs/dbraw/zinc/39/50/96/346395096.db2.gz JBALMHTYSLTXNE-UHFFFAOYSA-N 1 2 223.276 0.519 20 0 BCADLO Cc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000007017397 179077077 /nfs/dbraw/zinc/07/70/77/179077077.db2.gz XHSSDKLUOSSKBN-UHFFFAOYSA-N 1 2 204.273 0.927 20 0 BCADLO Cc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000007017397 179077081 /nfs/dbraw/zinc/07/70/81/179077081.db2.gz XHSSDKLUOSSKBN-UHFFFAOYSA-N 1 2 204.273 0.927 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332598869 346420465 /nfs/dbraw/zinc/42/04/65/346420465.db2.gz ALMCHQZHBBABAS-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332598869 346420468 /nfs/dbraw/zinc/42/04/68/346420468.db2.gz ALMCHQZHBBABAS-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO COCCc1noc(C[N@H+](C)[C@@H](C)COC)n1 ZINC000171629509 346428724 /nfs/dbraw/zinc/42/87/24/346428724.db2.gz NCVRCXNZDGRAPE-VIFPVBQESA-N 1 2 243.307 0.725 20 0 BCADLO COCCc1noc(C[N@@H+](C)[C@@H](C)COC)n1 ZINC000171629509 346428727 /nfs/dbraw/zinc/42/87/27/346428727.db2.gz NCVRCXNZDGRAPE-VIFPVBQESA-N 1 2 243.307 0.725 20 0 BCADLO CC[C@@](O)(C[NH+]1CCN(C)CC1)C(F)(F)F ZINC000669379441 537979122 /nfs/dbraw/zinc/97/91/22/537979122.db2.gz BQCDXECYJLOELX-SECBINFHSA-N 1 2 240.269 0.937 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@@H+]1CC(F)F ZINC000603412452 349961463 /nfs/dbraw/zinc/96/14/63/349961463.db2.gz OOBLBKSXIVCHQP-SSDOTTSWSA-N 1 2 206.236 0.981 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@H+]1CC(F)F ZINC000603412452 349961465 /nfs/dbraw/zinc/96/14/65/349961465.db2.gz OOBLBKSXIVCHQP-SSDOTTSWSA-N 1 2 206.236 0.981 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000332764179 346434781 /nfs/dbraw/zinc/43/47/81/346434781.db2.gz WTXANKAHVNSBLP-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO CC(C)C[C@H](CO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000580609266 365810553 /nfs/dbraw/zinc/81/05/53/365810553.db2.gz PMCNSWBAJFVFNF-LLVKDONJSA-N 1 2 239.319 0.749 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575063697 346487248 /nfs/dbraw/zinc/48/72/48/346487248.db2.gz BNWDHSCFKNLSCE-GHMZBOCLSA-N 1 2 239.319 0.967 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1OC2CCC1CC2 ZINC000636404390 346476668 /nfs/dbraw/zinc/47/66/68/346476668.db2.gz JVKMLDPGQMPIAE-UHFFFAOYSA-N 1 2 221.260 0.968 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2OC3CCC2CC3)C1 ZINC000636406841 346481450 /nfs/dbraw/zinc/48/14/50/346481450.db2.gz HGVYRJHWNKEBOP-ILDUYXDCSA-N 1 2 240.303 0.402 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2OC3CCC2CC3)C1 ZINC000636406841 346481452 /nfs/dbraw/zinc/48/14/52/346481452.db2.gz HGVYRJHWNKEBOP-ILDUYXDCSA-N 1 2 240.303 0.402 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2OC3CCC2CC3)C1 ZINC000636406842 346481525 /nfs/dbraw/zinc/48/15/25/346481525.db2.gz HGVYRJHWNKEBOP-VQXHTEKXSA-N 1 2 240.303 0.402 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2OC3CCC2CC3)C1 ZINC000636406842 346481527 /nfs/dbraw/zinc/48/15/27/346481527.db2.gz HGVYRJHWNKEBOP-VQXHTEKXSA-N 1 2 240.303 0.402 20 0 BCADLO c1cnc(SCC[NH+]2CCOCC2)nc1 ZINC000148793701 346504757 /nfs/dbraw/zinc/50/47/57/346504757.db2.gz DZVKMKGIVYYNDA-UHFFFAOYSA-N 1 2 225.317 0.901 20 0 BCADLO CC(C)(CO)C(=O)NCCCCn1cc[nH+]c1 ZINC000580092699 346519265 /nfs/dbraw/zinc/51/92/65/346519265.db2.gz NWWNZFJFCFRFLD-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)[nH]1 ZINC000249276348 346490326 /nfs/dbraw/zinc/49/03/26/346490326.db2.gz DCOIVCQTFBHQRP-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H]([C@H](C)O)C2)[nH]1 ZINC000249276348 346490327 /nfs/dbraw/zinc/49/03/27/346490327.db2.gz DCOIVCQTFBHQRP-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CC[C@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000380040645 365823604 /nfs/dbraw/zinc/82/36/04/365823604.db2.gz UHDAMLJGHQLASW-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CSCCC(=O)NCC[NH+]1CCOCC1 ZINC000203282372 346529516 /nfs/dbraw/zinc/52/95/16/346529516.db2.gz GHENGLZGRXLFCE-UHFFFAOYSA-N 1 2 232.349 0.188 20 0 BCADLO CC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000577114038 365821947 /nfs/dbraw/zinc/82/19/47/365821947.db2.gz BTJRBEFMEPNOLX-RKDXNWHRSA-N 1 2 238.291 0.214 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000618138458 346548530 /nfs/dbraw/zinc/54/85/30/346548530.db2.gz KYAWPFHDEMWIJL-BDAKNGLRSA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000618138458 346548531 /nfs/dbraw/zinc/54/85/31/346548531.db2.gz KYAWPFHDEMWIJL-BDAKNGLRSA-N 1 2 225.292 0.739 20 0 BCADLO Cc1cc(N(C)CCOCCO)nc[nH+]1 ZINC000301021569 346569286 /nfs/dbraw/zinc/56/92/86/346569286.db2.gz KJFYANNGEVKBFU-UHFFFAOYSA-N 1 2 211.265 0.230 20 0 BCADLO COC[C@H]([NH2+]Cc1ccn[nH]1)C1CCOCC1 ZINC000187981050 346665782 /nfs/dbraw/zinc/66/57/82/346665782.db2.gz TWLUQQHAKUTRHO-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)[C@H]1CCCOC1 ZINC000401421500 346703700 /nfs/dbraw/zinc/70/37/00/346703700.db2.gz MORAHBBBOITWCU-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)[C@H]1CCCOC1 ZINC000401421500 346703703 /nfs/dbraw/zinc/70/37/03/346703703.db2.gz MORAHBBBOITWCU-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(C)n1 ZINC000589465274 346705129 /nfs/dbraw/zinc/70/51/29/346705129.db2.gz SDAAWTUZMAJPPT-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCNC(C)=O ZINC000308164751 346712046 /nfs/dbraw/zinc/71/20/46/346712046.db2.gz PQCMXLRQQZHMSP-QMMMGPOBSA-N 1 2 216.281 0.006 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCNC(C)=O ZINC000308164751 346712047 /nfs/dbraw/zinc/71/20/47/346712047.db2.gz PQCMXLRQQZHMSP-QMMMGPOBSA-N 1 2 216.281 0.006 20 0 BCADLO C[C@H](CC(=O)NCc1cncn1C)n1cc[nH+]c1 ZINC000580648132 365843410 /nfs/dbraw/zinc/84/34/10/365843410.db2.gz BXGHFXRZLJTLHA-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2ccno2)CCO1 ZINC000626172114 346714781 /nfs/dbraw/zinc/71/47/81/346714781.db2.gz QTHJNKFOPTVEOW-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2ccno2)CCO1 ZINC000626172114 346714782 /nfs/dbraw/zinc/71/47/82/346714782.db2.gz QTHJNKFOPTVEOW-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO CN1C[C@@H]([NH2+]Cc2n[nH]c3ccccc32)CC1=O ZINC000589649859 346723482 /nfs/dbraw/zinc/72/34/82/346723482.db2.gz ULCDREFQCCGECV-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO CN1C[C@H]([NH2+]Cc2n[nH]c3ccccc32)CC1=O ZINC000589649858 346723944 /nfs/dbraw/zinc/72/39/44/346723944.db2.gz ULCDREFQCCGECV-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO Cn1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000589289071 346683735 /nfs/dbraw/zinc/68/37/35/346683735.db2.gz YSNKPUODCWISLT-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000166767139 346689585 /nfs/dbraw/zinc/68/95/85/346689585.db2.gz JMEADQUQDNPZOT-ZETCQYMHSA-N 1 2 226.305 0.879 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000166767139 346689589 /nfs/dbraw/zinc/68/95/89/346689589.db2.gz JMEADQUQDNPZOT-ZETCQYMHSA-N 1 2 226.305 0.879 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](O)C2)n1 ZINC000181528411 346755863 /nfs/dbraw/zinc/75/58/63/346755863.db2.gz AGIOGCVGOVKBIJ-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CCC[C@H](O)C2)n1 ZINC000181528411 346755866 /nfs/dbraw/zinc/75/58/66/346755866.db2.gz AGIOGCVGOVKBIJ-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000299891117 347150715 /nfs/dbraw/zinc/15/07/15/347150715.db2.gz HFBDZSYQBHNPRT-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000299891117 347150719 /nfs/dbraw/zinc/15/07/19/347150719.db2.gz HFBDZSYQBHNPRT-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H](C(=O)Nc1cnccc1CO)[NH+]1CC(C)C1 ZINC000580326376 347131515 /nfs/dbraw/zinc/13/15/15/347131515.db2.gz GXMWZAYZGUUFAE-JTQLQIEISA-N 1 2 249.314 0.853 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](C)C(=O)OC)[nH]1 ZINC000185188395 347193451 /nfs/dbraw/zinc/19/34/51/347193451.db2.gz YZMNDMXBVFYDTK-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](C)C(=O)OC)[nH]1 ZINC000185188395 347193457 /nfs/dbraw/zinc/19/34/57/347193457.db2.gz YZMNDMXBVFYDTK-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO CSCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185271438 347195088 /nfs/dbraw/zinc/19/50/88/347195088.db2.gz XGZUTIIPRDTYMU-UHFFFAOYSA-N 1 2 230.337 0.930 20 0 BCADLO CSCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185271438 347195091 /nfs/dbraw/zinc/19/50/91/347195091.db2.gz XGZUTIIPRDTYMU-UHFFFAOYSA-N 1 2 230.337 0.930 20 0 BCADLO Cc1noc(C[NH2+]C[C@@](C)(O)C(F)(F)F)n1 ZINC000309808135 347173120 /nfs/dbraw/zinc/17/31/20/347173120.db2.gz YFPRLOHJTUULSO-SSDOTTSWSA-N 1 2 239.197 0.781 20 0 BCADLO COC[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000641829018 362777235 /nfs/dbraw/zinc/77/72/35/362777235.db2.gz AMNDNNJZIJWHJW-VIFPVBQESA-N 1 2 240.307 0.297 20 0 BCADLO CC(C)(CF)NC(=O)NCCn1cc[nH+]c1 ZINC000349045007 535059898 /nfs/dbraw/zinc/05/98/98/535059898.db2.gz HRWAISNIWQCACB-UHFFFAOYSA-N 1 2 228.271 0.930 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000487401520 362811900 /nfs/dbraw/zinc/81/19/00/362811900.db2.gz RVAADXOMLSMEFA-JTQLQIEISA-N 1 2 222.292 0.178 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000487401520 362811906 /nfs/dbraw/zinc/81/19/06/362811906.db2.gz RVAADXOMLSMEFA-JTQLQIEISA-N 1 2 222.292 0.178 20 0 BCADLO CCN1CCCN(Cc2c[nH+]cn2C)CC1=O ZINC000190230581 347324202 /nfs/dbraw/zinc/32/42/02/347324202.db2.gz KCPXAUSBGIUTQJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1ccncn1 ZINC000190691440 347334924 /nfs/dbraw/zinc/33/49/24/347334924.db2.gz GBFUHVLCCVJTLI-UHFFFAOYSA-N 1 2 232.247 0.495 20 0 BCADLO CCOCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636530444 347314491 /nfs/dbraw/zinc/31/44/91/347314491.db2.gz DXDAVIWHZLFWCV-VIFPVBQESA-N 1 2 238.291 0.144 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)F ZINC000618409214 347409105 /nfs/dbraw/zinc/40/91/05/347409105.db2.gz GJJUZXIYACQLPM-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)F ZINC000618409214 347409106 /nfs/dbraw/zinc/40/91/06/347409106.db2.gz GJJUZXIYACQLPM-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cocn1 ZINC000191929150 347363180 /nfs/dbraw/zinc/36/31/80/347363180.db2.gz NHPOJZSFIANMMQ-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cocn1 ZINC000191929150 347363182 /nfs/dbraw/zinc/36/31/82/347363182.db2.gz NHPOJZSFIANMMQ-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO COCC(COC)Nc1nc[nH+]c(N)c1OC ZINC000388452720 347415167 /nfs/dbraw/zinc/41/51/67/347415167.db2.gz TZHODUWTJODHCU-UHFFFAOYSA-N 1 2 242.279 0.141 20 0 BCADLO COCC(COC)Nc1[nH+]cnc(N)c1OC ZINC000388452720 347415169 /nfs/dbraw/zinc/41/51/69/347415169.db2.gz TZHODUWTJODHCU-UHFFFAOYSA-N 1 2 242.279 0.141 20 0 BCADLO Cc1cccc2[nH+]c(C[S@](=O)CCO)cn21 ZINC000182100429 179230066 /nfs/dbraw/zinc/23/00/66/179230066.db2.gz GDUQCCJPLGNVEF-MRXNPFEDSA-N 1 2 238.312 0.884 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)no1 ZINC000333335764 537989776 /nfs/dbraw/zinc/98/97/76/537989776.db2.gz RVQFVEGMQVFYNT-HTQZYQBOSA-N 1 2 238.291 0.389 20 0 BCADLO COC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925460 347457175 /nfs/dbraw/zinc/45/71/75/347457175.db2.gz IIFULRNCCBLWRO-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925460 347457177 /nfs/dbraw/zinc/45/71/77/347457177.db2.gz IIFULRNCCBLWRO-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO Cc1cccc2[nH+]c(CN3CCNC(=O)C3)cn21 ZINC000051260995 179229307 /nfs/dbraw/zinc/22/93/07/179229307.db2.gz GMYOIRKXJFHWNG-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)C[C@H]1COCCO1 ZINC000590710771 347498817 /nfs/dbraw/zinc/49/88/17/347498817.db2.gz MQPPTLZDHRPQJC-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)C[C@H]1COCCO1 ZINC000590710771 347498818 /nfs/dbraw/zinc/49/88/18/347498818.db2.gz MQPPTLZDHRPQJC-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CC[C@H](C)O ZINC000590700865 347489543 /nfs/dbraw/zinc/48/95/43/347489543.db2.gz PODPJBLSSKFDPL-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CC[C@H](C)O ZINC000590700865 347489546 /nfs/dbraw/zinc/48/95/46/347489546.db2.gz PODPJBLSSKFDPL-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)C1(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000590723220 347493478 /nfs/dbraw/zinc/49/34/78/347493478.db2.gz XSBPAQLVAQZKJR-MRVPVSSYSA-N 1 2 249.257 0.642 20 0 BCADLO COC(=O)C1(C[N@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000590723220 347493482 /nfs/dbraw/zinc/49/34/82/347493482.db2.gz XSBPAQLVAQZKJR-MRVPVSSYSA-N 1 2 249.257 0.642 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@](C)(O)C1CC1 ZINC000616928608 347494578 /nfs/dbraw/zinc/49/45/78/347494578.db2.gz GQOKMACQAAJKOX-NSHDSACASA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@](C)(O)C1CC1 ZINC000616928608 347494579 /nfs/dbraw/zinc/49/45/79/347494579.db2.gz GQOKMACQAAJKOX-NSHDSACASA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(O)CCSC1 ZINC000616926791 347460017 /nfs/dbraw/zinc/46/00/17/347460017.db2.gz QDTSNDGTIGVJNV-JTQLQIEISA-N 1 2 241.316 0.236 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(O)CCSC1 ZINC000616926791 347460018 /nfs/dbraw/zinc/46/00/18/347460018.db2.gz QDTSNDGTIGVJNV-JTQLQIEISA-N 1 2 241.316 0.236 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1COCCO1)C(C)(C)C ZINC000590706158 347498074 /nfs/dbraw/zinc/49/80/74/347498074.db2.gz JIFZQEMCOABAII-UWVGGRQHSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)C1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000590553186 347470978 /nfs/dbraw/zinc/47/09/78/347470978.db2.gz ZIXRAWAGDBZARA-UHFFFAOYSA-N 1 2 249.270 0.248 20 0 BCADLO COC(=O)C1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000590553186 347470980 /nfs/dbraw/zinc/47/09/80/347470980.db2.gz ZIXRAWAGDBZARA-UHFFFAOYSA-N 1 2 249.270 0.248 20 0 BCADLO CCC[C@H](O)C[N@H+](C)[C@@H](COCC)C(=O)OC ZINC000590707818 347498209 /nfs/dbraw/zinc/49/82/09/347498209.db2.gz WHMJZJKOXQTFLF-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)[C@@H](COCC)C(=O)OC ZINC000590707818 347498210 /nfs/dbraw/zinc/49/82/10/347498210.db2.gz WHMJZJKOXQTFLF-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@@](C)([NH2+]CCc1cn[nH]n1)C(=O)OC ZINC000590602409 347476047 /nfs/dbraw/zinc/47/60/47/347476047.db2.gz MTLNEFRGFQLFJY-LLVKDONJSA-N 1 2 240.307 0.669 20 0 BCADLO CCOC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000590598963 347479521 /nfs/dbraw/zinc/47/95/21/347479521.db2.gz ADGHJQYZULHVKK-SECBINFHSA-N 1 2 223.276 0.650 20 0 BCADLO CCOC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000590598965 347479791 /nfs/dbraw/zinc/47/97/91/347479791.db2.gz ADGHJQYZULHVKK-VIFPVBQESA-N 1 2 223.276 0.650 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000590752881 347504437 /nfs/dbraw/zinc/50/44/37/347504437.db2.gz AFFGIOAFRQYEQO-UTLUCORTSA-N 1 2 243.303 0.869 20 0 BCADLO CC1(CO)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000401662622 347507516 /nfs/dbraw/zinc/50/75/16/347507516.db2.gz FSSSOPCHZUPINY-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO Cc1nc(C[NH2+]CCNS(C)(=O)=O)cs1 ZINC000020253437 347517450 /nfs/dbraw/zinc/51/74/50/347517450.db2.gz YKKAMJHXPJZMLV-UHFFFAOYSA-N 1 2 249.361 0.090 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636595170 347533905 /nfs/dbraw/zinc/53/39/05/347533905.db2.gz KAZDKUANNYADAM-BBBLOLIVSA-N 1 2 234.303 0.763 20 0 BCADLO CCc1ncncc1C(=O)NCc1[nH+]ccn1C ZINC000590737591 347502276 /nfs/dbraw/zinc/50/22/76/347502276.db2.gz WAWHUAKHQMIQAS-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO Cn1ccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000590737512 347502303 /nfs/dbraw/zinc/50/23/03/347502303.db2.gz QCYMMVBGYADBQK-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000616980167 347555627 /nfs/dbraw/zinc/55/56/27/347555627.db2.gz AZJRDCFZLOFXCO-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616980167 347555629 /nfs/dbraw/zinc/55/56/29/347555629.db2.gz AZJRDCFZLOFXCO-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000617011367 347580971 /nfs/dbraw/zinc/58/09/71/347580971.db2.gz CSDPZDGNFAEIHI-MRVPVSSYSA-N 1 2 237.307 0.407 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000617011367 347580975 /nfs/dbraw/zinc/58/09/75/347580975.db2.gz CSDPZDGNFAEIHI-MRVPVSSYSA-N 1 2 237.307 0.407 20 0 BCADLO CC1(C)C[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636625756 347583603 /nfs/dbraw/zinc/58/36/03/347583603.db2.gz YBAGNLHSSSYKHR-PSASIEDQSA-N 1 2 234.303 0.906 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972200 347598423 /nfs/dbraw/zinc/59/84/23/347598423.db2.gz WFTQBTRELGFLLT-ZJUUUORDSA-N 1 2 213.277 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972200 347598428 /nfs/dbraw/zinc/59/84/28/347598428.db2.gz WFTQBTRELGFLLT-ZJUUUORDSA-N 1 2 213.277 0.660 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cocn1 ZINC000591202240 347630146 /nfs/dbraw/zinc/63/01/46/347630146.db2.gz LPBTYJLQTOYBNZ-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO O=C(NCc1ccoc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636642325 347642941 /nfs/dbraw/zinc/64/29/41/347642941.db2.gz PSQNHJBNURGZLO-JTQLQIEISA-N 1 2 246.270 0.900 20 0 BCADLO CC(C)CCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000679629714 488360521 /nfs/dbraw/zinc/36/05/21/488360521.db2.gz ORSRSFVXCTWSNE-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)CCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000679629714 488360523 /nfs/dbraw/zinc/36/05/23/488360523.db2.gz ORSRSFVXCTWSNE-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](OC)C1CC1 ZINC000591846076 347706445 /nfs/dbraw/zinc/70/64/45/347706445.db2.gz CRNNDTIQZNTCSW-GARJFASQSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](OC)C1CC1 ZINC000591846076 347706448 /nfs/dbraw/zinc/70/64/48/347706448.db2.gz CRNNDTIQZNTCSW-GARJFASQSA-N 1 2 245.294 0.997 20 0 BCADLO O=C1C[N@H+](CCOCC2CCC2)CCN1 ZINC000419188442 192108241 /nfs/dbraw/zinc/10/82/41/192108241.db2.gz GSQGQQNSPAUVEV-UHFFFAOYSA-N 1 2 212.293 0.235 20 0 BCADLO O=C1C[N@@H+](CCOCC2CCC2)CCN1 ZINC000419188442 192108243 /nfs/dbraw/zinc/10/82/43/192108243.db2.gz GSQGQQNSPAUVEV-UHFFFAOYSA-N 1 2 212.293 0.235 20 0 BCADLO CC[C@H]([NH2+][C@H](C)CC(N)=O)C(=O)OC(C)(C)C ZINC000592400147 347777088 /nfs/dbraw/zinc/77/70/88/347777088.db2.gz NLWWQHKSWICDQE-BDAKNGLRSA-N 1 2 244.335 0.960 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)OC)[C@@H]1SC ZINC000592169152 347746892 /nfs/dbraw/zinc/74/68/92/347746892.db2.gz LVNOEYUFUGMJFO-MRTMQBJTSA-N 1 2 233.333 0.658 20 0 BCADLO C[C@@H](CC(N)=O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000577285592 365917579 /nfs/dbraw/zinc/91/75/79/365917579.db2.gz KBJFAOKTSLKLHM-ZETCQYMHSA-N 1 2 238.291 0.273 20 0 BCADLO C[C@H](CC(N)=O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000577285591 365917968 /nfs/dbraw/zinc/91/79/68/365917968.db2.gz KBJFAOKTSLKLHM-SSDOTTSWSA-N 1 2 238.291 0.273 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1C ZINC000592791655 347816074 /nfs/dbraw/zinc/81/60/74/347816074.db2.gz RCOJQPTVBGJFOT-TUAOUCFPSA-N 1 2 239.363 0.395 20 0 BCADLO CCC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000577296071 365920666 /nfs/dbraw/zinc/92/06/66/365920666.db2.gz UHFMMUYYBUDQGG-VIFPVBQESA-N 1 2 241.335 0.098 20 0 BCADLO Cn1nnnc1C[N@H+](CCO)CC(C)(C)C ZINC000592896034 347829545 /nfs/dbraw/zinc/82/95/45/347829545.db2.gz OKRHWUKEGBBJDG-UHFFFAOYSA-N 1 2 227.312 0.051 20 0 BCADLO Cn1nnnc1C[N@@H+](CCO)CC(C)(C)C ZINC000592896034 347829546 /nfs/dbraw/zinc/82/95/46/347829546.db2.gz OKRHWUKEGBBJDG-UHFFFAOYSA-N 1 2 227.312 0.051 20 0 BCADLO COC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593043983 347843982 /nfs/dbraw/zinc/84/39/82/347843982.db2.gz CCVHZVKXRSTBKF-UHFFFAOYSA-N 1 2 213.277 0.396 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC(N)=O ZINC000593046509 347844048 /nfs/dbraw/zinc/84/40/48/347844048.db2.gz IZDUAKWBUJUXLD-RKDXNWHRSA-N 1 2 242.319 0.666 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC(N)=O ZINC000593046509 347844051 /nfs/dbraw/zinc/84/40/51/347844051.db2.gz IZDUAKWBUJUXLD-RKDXNWHRSA-N 1 2 242.319 0.666 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014240 347844632 /nfs/dbraw/zinc/84/46/32/347844632.db2.gz XPEPVONLUVMHLY-PXTZTZFBSA-N 1 2 244.360 0.106 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014240 347844634 /nfs/dbraw/zinc/84/46/34/347844634.db2.gz XPEPVONLUVMHLY-PXTZTZFBSA-N 1 2 244.360 0.106 20 0 BCADLO C[C@@H]1CC[N@H+](C[C@H]2CCCN2C)CC[S@]1=O ZINC000593027716 347847502 /nfs/dbraw/zinc/84/75/02/347847502.db2.gz XJFHRXROLWKRCR-XHBSWPGZSA-N 1 2 244.404 0.924 20 0 BCADLO C[C@@H]1CC[N@@H+](C[C@H]2CCCN2C)CC[S@]1=O ZINC000593027716 347847504 /nfs/dbraw/zinc/84/75/04/347847504.db2.gz XJFHRXROLWKRCR-XHBSWPGZSA-N 1 2 244.404 0.924 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](CC)CO1 ZINC000593057314 347847930 /nfs/dbraw/zinc/84/79/30/347847930.db2.gz FMPWKJFCCZQPGA-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](CC)CO1 ZINC000593057314 347847932 /nfs/dbraw/zinc/84/79/32/347847932.db2.gz FMPWKJFCCZQPGA-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO OCC1(CSCCn2cc[nH+]c2)COC1 ZINC000534997649 323162542 /nfs/dbraw/zinc/16/25/42/323162542.db2.gz PWPKQGNIOTYTTG-UHFFFAOYSA-N 1 2 228.317 0.625 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096502 347854463 /nfs/dbraw/zinc/85/44/63/347854463.db2.gz WRTAYZKVIRQLFM-KUEQOTSFSA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096502 347854464 /nfs/dbraw/zinc/85/44/64/347854464.db2.gz WRTAYZKVIRQLFM-KUEQOTSFSA-N 1 2 244.360 0.106 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098635 347856125 /nfs/dbraw/zinc/85/61/25/347856125.db2.gz YMTXDNPKUKWZSF-PUTJDCORSA-N 1 2 239.344 0.608 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099291 347856234 /nfs/dbraw/zinc/85/62/34/347856234.db2.gz HJBLYYQOCAKBBA-BEPCFFQHSA-N 1 2 244.360 0.106 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099291 347856235 /nfs/dbraw/zinc/85/62/35/347856235.db2.gz HJBLYYQOCAKBBA-BEPCFFQHSA-N 1 2 244.360 0.106 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C(F)(F)F ZINC000593100883 347857877 /nfs/dbraw/zinc/85/78/77/347857877.db2.gz PTGMWVBMGINCAL-PAVJWGBOSA-N 1 2 243.250 0.115 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C(F)(F)F ZINC000593100883 347857878 /nfs/dbraw/zinc/85/78/78/347857878.db2.gz PTGMWVBMGINCAL-PAVJWGBOSA-N 1 2 243.250 0.115 20 0 BCADLO CC1(C)C[C@@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000577388847 365943131 /nfs/dbraw/zinc/94/31/31/365943131.db2.gz OHKMJRCRTKKGHX-MWLCHTKSSA-N 1 2 249.314 0.765 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306416191 323172771 /nfs/dbraw/zinc/17/27/71/323172771.db2.gz QPFSVCOCAZUXBU-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cocn1 ZINC000594104291 348014785 /nfs/dbraw/zinc/01/47/85/348014785.db2.gz CKICDAYZCMRNRX-VIFPVBQESA-N 1 2 249.274 0.759 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594351232 348038016 /nfs/dbraw/zinc/03/80/16/348038016.db2.gz LMSZGYSIJOFWQX-VIFPVBQESA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)C(=O)OC ZINC000594721166 348107765 /nfs/dbraw/zinc/10/77/65/348107765.db2.gz MHDKUGKDQCGHJX-YUMQZZPRSA-N 1 2 237.246 0.952 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCCC2)nn1 ZINC000594656935 348093152 /nfs/dbraw/zinc/09/31/52/348093152.db2.gz JYWCFBJHQWXMQO-SNVBAGLBSA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(C2CCCC2)nn1 ZINC000594656934 348093225 /nfs/dbraw/zinc/09/32/25/348093225.db2.gz JYWCFBJHQWXMQO-JTQLQIEISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ncn(C)n1 ZINC000594933667 348140860 /nfs/dbraw/zinc/14/08/60/348140860.db2.gz AKZDQALZAXNQHP-XHNCKOQMSA-N 1 2 238.291 0.102 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H](COC)OC ZINC000595294933 348214836 /nfs/dbraw/zinc/21/48/36/348214836.db2.gz UURQPTHKVBXNPL-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H](COC)OC ZINC000595294933 348214840 /nfs/dbraw/zinc/21/48/40/348214840.db2.gz UURQPTHKVBXNPL-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](COC)OC ZINC000595299416 348217661 /nfs/dbraw/zinc/21/76/61/348217661.db2.gz YZNZGAGKLXJLRD-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](COC)OC ZINC000595299416 348217663 /nfs/dbraw/zinc/21/76/63/348217663.db2.gz YZNZGAGKLXJLRD-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO CC1(C)C[C@@H]([NH+]2CCS(=O)CC2)CO1 ZINC000595313735 348223705 /nfs/dbraw/zinc/22/37/05/348223705.db2.gz CEFRZIDPJWHNJC-SECBINFHSA-N 1 2 217.334 0.618 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595319936 348226035 /nfs/dbraw/zinc/22/60/35/348226035.db2.gz UKASDTMVBUXHOT-CMPLNLGQSA-N 1 2 247.335 0.969 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC=CCC1 ZINC000595428191 348247655 /nfs/dbraw/zinc/24/76/55/348247655.db2.gz NKKGNQLVFHLJQM-JTQLQIEISA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC=CCC1 ZINC000595428191 348247657 /nfs/dbraw/zinc/24/76/57/348247657.db2.gz NKKGNQLVFHLJQM-JTQLQIEISA-N 1 2 241.287 0.743 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595429971 348248400 /nfs/dbraw/zinc/24/84/00/348248400.db2.gz QSGXDRWQNYGAAQ-DCAQKATOSA-N 1 2 247.335 0.825 20 0 BCADLO CCC(CC)([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595435776 348250275 /nfs/dbraw/zinc/25/02/75/348250275.db2.gz ITDBQJIJXPFZTB-SNVBAGLBSA-N 1 2 247.335 0.969 20 0 BCADLO Cn1c[nH+]c(CN2CC[S@@](=O)CC2(C)C)c1 ZINC000595450808 348253424 /nfs/dbraw/zinc/25/34/24/348253424.db2.gz DGJFMJFNICUHIW-MRXNPFEDSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1C[NH+](CCc2cn[nH]n2)C[C@H](C)S1=O ZINC000595452534 348253946 /nfs/dbraw/zinc/25/39/46/348253946.db2.gz AVFGBGXTBGIZCV-IUCAKERBSA-N 1 2 242.348 0.189 20 0 BCADLO Cc1cccnc1C[NH+]1CCN(CCO)CC1 ZINC000093158415 179374894 /nfs/dbraw/zinc/37/48/94/179374894.db2.gz BOMVDJBTOWFGKT-UHFFFAOYSA-N 1 2 235.331 0.500 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000180466481 179375317 /nfs/dbraw/zinc/37/53/17/179375317.db2.gz IPTRKKMTLUFTMH-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000180466481 179375319 /nfs/dbraw/zinc/37/53/19/179375319.db2.gz IPTRKKMTLUFTMH-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000093169128 179377291 /nfs/dbraw/zinc/37/72/91/179377291.db2.gz QZDFFURKONZIDC-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cccnc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000093169128 179377295 /nfs/dbraw/zinc/37/72/95/179377295.db2.gz QZDFFURKONZIDC-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO COC(=O)CN(Cc1cn(C)c[nH+]1)C1CC1 ZINC000595347326 348236123 /nfs/dbraw/zinc/23/61/23/348236123.db2.gz SONWPMVRRVTOQM-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO CC[C@H](C(=O)OC)N1CCn2c[nH+]cc2C1 ZINC000595493248 348261956 /nfs/dbraw/zinc/26/19/56/348261956.db2.gz FEWLYCOLXXHUNJ-SNVBAGLBSA-N 1 2 223.276 0.650 20 0 BCADLO CS[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000595511451 348265579 /nfs/dbraw/zinc/26/55/79/348265579.db2.gz QHJRIVUDTWTUAA-VIFPVBQESA-N 1 2 212.322 0.785 20 0 BCADLO CS[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000595511451 348265582 /nfs/dbraw/zinc/26/55/82/348265582.db2.gz QHJRIVUDTWTUAA-VIFPVBQESA-N 1 2 212.322 0.785 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCc1ccccc1 ZINC000595527582 348272152 /nfs/dbraw/zinc/27/21/52/348272152.db2.gz OOLMXBPYZOUCDE-ZDUSSCGKSA-N 1 2 237.299 0.743 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@H]1CCCO1 ZINC000595531135 348273170 /nfs/dbraw/zinc/27/31/70/348273170.db2.gz CRWNGBGFMKDIDO-KOLCDFICSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1(C)CCC1 ZINC000595532864 348274706 /nfs/dbraw/zinc/27/47/06/348274706.db2.gz VECHGVMUANFXSZ-NSHDSACASA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC1CCC1 ZINC000595533755 348275403 /nfs/dbraw/zinc/27/54/03/348275403.db2.gz NJJZXLLKXKGGLM-NSHDSACASA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595632420 348294138 /nfs/dbraw/zinc/29/41/38/348294138.db2.gz OAMJTJXQFXZAOL-OUAUKWLOSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1cnc[nH]1 ZINC000595596853 348295114 /nfs/dbraw/zinc/29/51/14/348295114.db2.gz PEJZLJMZKYLSRW-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1cnc[nH]1 ZINC000595596853 348295116 /nfs/dbraw/zinc/29/51/16/348295116.db2.gz PEJZLJMZKYLSRW-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COC(=O)CCC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595676121 348310168 /nfs/dbraw/zinc/31/01/68/348310168.db2.gz YJUYZTXMFYBRPO-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)CCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595676121 348310171 /nfs/dbraw/zinc/31/01/71/348310171.db2.gz YJUYZTXMFYBRPO-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1COCCO1 ZINC000595679676 348311526 /nfs/dbraw/zinc/31/15/26/348311526.db2.gz HGMGTOGTTFNPAR-SQLBVSGCSA-N 1 2 241.287 0.039 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1COCCO1 ZINC000595679676 348311530 /nfs/dbraw/zinc/31/15/30/348311530.db2.gz HGMGTOGTTFNPAR-SQLBVSGCSA-N 1 2 241.287 0.039 20 0 BCADLO COC(=O)C12CC(C1)CN2Cc1c[nH+]c[nH]1 ZINC000595680850 348312447 /nfs/dbraw/zinc/31/24/47/348312447.db2.gz YRQAGBVTRQAGEB-UHFFFAOYSA-N 1 2 221.260 0.547 20 0 BCADLO COC(=O)C12CC(C1)CN2Cc1c[nH]c[nH+]1 ZINC000595680850 348312450 /nfs/dbraw/zinc/31/24/50/348312450.db2.gz YRQAGBVTRQAGEB-UHFFFAOYSA-N 1 2 221.260 0.547 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCCO ZINC000595768793 348335935 /nfs/dbraw/zinc/33/59/35/348335935.db2.gz GANJNTKAJCZCDB-VIFPVBQESA-N 1 2 207.245 0.250 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCO ZINC000595769097 348336043 /nfs/dbraw/zinc/33/60/43/348336043.db2.gz IVJNKMJRBVANPG-SNVBAGLBSA-N 1 2 221.272 0.640 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](C)O ZINC000595773647 348337341 /nfs/dbraw/zinc/33/73/41/348337341.db2.gz ROKOFOBZGBGSBF-APPZFPTMSA-N 1 2 207.245 0.248 20 0 BCADLO COC(=O)[C@](C)(CCF)NCc1cn(C)c[nH+]1 ZINC000595777264 348338805 /nfs/dbraw/zinc/33/88/05/348338805.db2.gz XPPDZLOTPWNCND-NSHDSACASA-N 1 2 243.282 0.801 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCOCCO ZINC000595860591 348383020 /nfs/dbraw/zinc/38/30/20/348383020.db2.gz URXOEWCEPWOTEH-UHFFFAOYSA-N 1 2 243.303 0.023 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CCOCCO ZINC000595860591 348383023 /nfs/dbraw/zinc/38/30/23/348383023.db2.gz URXOEWCEPWOTEH-UHFFFAOYSA-N 1 2 243.303 0.023 20 0 BCADLO Cc1nnsc1C(=O)NCC[NH+]1CCC1 ZINC000527313275 323185504 /nfs/dbraw/zinc/18/55/04/323185504.db2.gz ORJJHFOALJCDNQ-UHFFFAOYSA-N 1 2 226.305 0.282 20 0 BCADLO CCCN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419332019 192124047 /nfs/dbraw/zinc/12/40/47/192124047.db2.gz SIAYXKFRBHCIOB-MNOVXSKESA-N 1 2 200.326 0.783 20 0 BCADLO COC(=O)C[N@H+](C)CC1=CCSC1 ZINC000595889056 348390110 /nfs/dbraw/zinc/39/01/10/348390110.db2.gz RITLUHVYIVJXHU-UHFFFAOYSA-N 1 2 201.291 0.764 20 0 BCADLO COC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000595889056 348390112 /nfs/dbraw/zinc/39/01/12/348390112.db2.gz RITLUHVYIVJXHU-UHFFFAOYSA-N 1 2 201.291 0.764 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000595909526 348398107 /nfs/dbraw/zinc/39/81/07/348398107.db2.gz AFFGIOAFRQYEQO-IVZWLZJFSA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000595917042 348400606 /nfs/dbraw/zinc/40/06/06/348400606.db2.gz AAXZCKBTCMGEHY-BDAKNGLRSA-N 1 2 239.275 0.809 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N(C)CCO)c1 ZINC000596050177 348432657 /nfs/dbraw/zinc/43/26/57/348432657.db2.gz BRRQJYQTVOGSAI-UHFFFAOYSA-N 1 2 224.260 0.226 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)CO)c1 ZINC000596072157 348438047 /nfs/dbraw/zinc/43/80/47/348438047.db2.gz XWRFNNUJZWEIEX-MRVPVSSYSA-N 1 2 224.260 0.590 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215363 348441128 /nfs/dbraw/zinc/44/11/28/348441128.db2.gz AVSQRMWGAVFIBP-QWKFWESOSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215363 348441130 /nfs/dbraw/zinc/44/11/30/348441130.db2.gz AVSQRMWGAVFIBP-QWKFWESOSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C(=O)OC ZINC000396913908 349989841 /nfs/dbraw/zinc/98/98/41/349989841.db2.gz FIUKNFDWRKRBAP-QXEWZRGKSA-N 1 2 242.319 0.442 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N(C)[C@H](C)CO)c1 ZINC000596173311 348461439 /nfs/dbraw/zinc/46/14/39/348461439.db2.gz SLCRCLSZRSEKQZ-SECBINFHSA-N 1 2 238.287 0.614 20 0 BCADLO CC[C@@H](C(=O)Nc1cc[nH+]cc1O)[C@H](C)O ZINC000419862876 192147763 /nfs/dbraw/zinc/14/77/63/192147763.db2.gz BYGPEACPAZUSMV-JGVFFNPUSA-N 1 2 224.260 0.555 20 0 BCADLO Cc1nnc(C[NH+]2CCSCC2)n1C ZINC000052441527 323193208 /nfs/dbraw/zinc/19/32/08/323193208.db2.gz VBGWKMSKYZLHPT-UHFFFAOYSA-N 1 2 212.322 0.672 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)n1C ZINC000597084485 348655916 /nfs/dbraw/zinc/65/59/16/348655916.db2.gz ZTMKKEQPKUPFGR-FVMDXXJSSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@](C)=O)n1C ZINC000597084485 348655917 /nfs/dbraw/zinc/65/59/17/348655917.db2.gz ZTMKKEQPKUPFGR-FVMDXXJSSA-N 1 2 243.376 0.927 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)CO1 ZINC000597117273 348663184 /nfs/dbraw/zinc/66/31/84/348663184.db2.gz LWBWDOISQWXDHT-HRDYMLBCSA-N 1 2 201.266 0.705 20 0 BCADLO O=C([C@H]1CC=CCC1)N1CC[NH+](CCO)CC1 ZINC000035187885 358454918 /nfs/dbraw/zinc/45/49/18/358454918.db2.gz MXVSXKGPFXCEOJ-LBPRGKRZSA-N 1 2 238.331 0.479 20 0 BCADLO CCOC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398863469 323194229 /nfs/dbraw/zinc/19/42/29/323194229.db2.gz ZQXARYZVGHEFPS-SSDOTTSWSA-N 1 2 225.235 0.307 20 0 BCADLO COC(=O)CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598458965 348976658 /nfs/dbraw/zinc/97/66/58/348976658.db2.gz ARIUZUOYGMJSBL-MRVPVSSYSA-N 1 2 239.275 0.551 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC12CC2 ZINC000421747152 192378936 /nfs/dbraw/zinc/37/89/36/192378936.db2.gz BFGHMWPGZZWCKC-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000308895450 349055312 /nfs/dbraw/zinc/05/53/12/349055312.db2.gz ZDKOSWIINCEGMI-GZMMTYOYSA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000598984553 349071761 /nfs/dbraw/zinc/07/17/61/349071761.db2.gz OUXGEQFFONTAOQ-CNUIFLNQSA-N 1 2 224.264 0.092 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000598984553 349071762 /nfs/dbraw/zinc/07/17/62/349071762.db2.gz OUXGEQFFONTAOQ-CNUIFLNQSA-N 1 2 224.264 0.092 20 0 BCADLO CSCC[C@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000599135085 349097160 /nfs/dbraw/zinc/09/71/60/349097160.db2.gz GFELWCIPOHBYBX-QMMMGPOBSA-N 1 2 240.332 0.804 20 0 BCADLO CSCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598940880 349061946 /nfs/dbraw/zinc/06/19/46/349061946.db2.gz BJSGLLMOJQTNFR-ZETCQYMHSA-N 1 2 211.290 0.287 20 0 BCADLO CS[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944773 349062664 /nfs/dbraw/zinc/06/26/64/349062664.db2.gz VIDNRHBTPARSBK-JGVFFNPUSA-N 1 2 225.317 0.676 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248481738 349133660 /nfs/dbraw/zinc/13/36/60/349133660.db2.gz IGOKTVGYBIJBLB-BJOHPYRUSA-N 1 2 234.365 0.210 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248481738 349133662 /nfs/dbraw/zinc/13/36/62/349133662.db2.gz IGOKTVGYBIJBLB-BJOHPYRUSA-N 1 2 234.365 0.210 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1C[C@@H]1C ZINC000599438392 349177077 /nfs/dbraw/zinc/17/70/77/349177077.db2.gz VSXPBRVGHPSOBE-NRPADANISA-N 1 2 201.266 0.156 20 0 BCADLO OCCCc1cn(-c2ncccn2)c[nH+]1 ZINC000599426351 349185331 /nfs/dbraw/zinc/18/53/31/349185331.db2.gz JNSFDOWIEOPZCB-UHFFFAOYSA-N 1 2 204.233 0.587 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cn(C)nn1 ZINC000599325164 349155620 /nfs/dbraw/zinc/15/56/20/349155620.db2.gz ARCKINPTMBOAJE-VIFPVBQESA-N 1 2 240.307 0.241 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cn(C)nn1 ZINC000599325164 349155623 /nfs/dbraw/zinc/15/56/23/349155623.db2.gz ARCKINPTMBOAJE-VIFPVBQESA-N 1 2 240.307 0.241 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625021 349230888 /nfs/dbraw/zinc/23/08/88/349230888.db2.gz KYQWGCTXQXJGRY-ODXREFDESA-N 1 2 201.266 0.561 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631933 349236854 /nfs/dbraw/zinc/23/68/54/349236854.db2.gz IQHHGYUWBDAPEG-LSYCYVAJSA-N 1 2 245.344 0.535 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631933 349236856 /nfs/dbraw/zinc/23/68/56/349236856.db2.gz IQHHGYUWBDAPEG-LSYCYVAJSA-N 1 2 245.344 0.535 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000178220596 535092945 /nfs/dbraw/zinc/09/29/45/535092945.db2.gz FJJOYCIDCSHVLM-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000178220596 535092951 /nfs/dbraw/zinc/09/29/51/535092951.db2.gz FJJOYCIDCSHVLM-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO Cc1[nH]c(CN2CC(S(C)(=O)=O)C2)[nH+]c1C ZINC000628304278 349281322 /nfs/dbraw/zinc/28/13/22/349281322.db2.gz OOHVZNBANCIUCG-UHFFFAOYSA-N 1 2 243.332 0.255 20 0 BCADLO Cc1nc(C(=O)NCCc2[nH]cc[nH+]2)c(C)o1 ZINC000340146031 179885193 /nfs/dbraw/zinc/88/51/93/179885193.db2.gz LVNHXDFQKPZZAF-UHFFFAOYSA-N 1 2 234.259 0.987 20 0 BCADLO CC(=O)NCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068230727 191002439 /nfs/dbraw/zinc/00/24/39/191002439.db2.gz ZVRNYSUFPXQKJB-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813844 350037248 /nfs/dbraw/zinc/03/72/48/350037248.db2.gz SKHCEHTUKNSUSW-PSASIEDQSA-N 1 2 205.261 0.922 20 0 BCADLO O[C@H](COC[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000302957891 350101283 /nfs/dbraw/zinc/10/12/83/350101283.db2.gz CHVZQBJGGTYWFL-QWRGUYRKSA-N 1 2 226.276 0.440 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(=O)N(C)C2)[nH+]1 ZINC000359089912 180001559 /nfs/dbraw/zinc/00/15/59/180001559.db2.gz FBGHARYHCJBIJZ-UHFFFAOYSA-N 1 2 231.259 0.502 20 0 BCADLO Cc1[nH]c(=O)ccc1C(=O)NCCn1cc[nH+]c1 ZINC000269616510 180026813 /nfs/dbraw/zinc/02/68/13/180026813.db2.gz BZSHDWIHTUNZBZ-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCNC2=O)cs1 ZINC000336475192 180038356 /nfs/dbraw/zinc/03/83/56/180038356.db2.gz PAGSZZVGYQXSSY-SVRRBLITSA-N 1 2 225.317 0.991 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791051 350115854 /nfs/dbraw/zinc/11/58/54/350115854.db2.gz HAAPYPQZFUNAOW-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791051 350115857 /nfs/dbraw/zinc/11/58/57/350115857.db2.gz HAAPYPQZFUNAOW-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC000269259807 180041471 /nfs/dbraw/zinc/04/14/71/180041471.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC000269259807 180041473 /nfs/dbraw/zinc/04/14/73/180041473.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC000269259807 180041478 /nfs/dbraw/zinc/04/14/78/180041478.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC000269259807 180041481 /nfs/dbraw/zinc/04/14/81/180041481.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n[nH]1 ZINC000269259807 180041484 /nfs/dbraw/zinc/04/14/84/180041484.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n[nH]1 ZINC000269259807 180041485 /nfs/dbraw/zinc/04/14/85/180041485.db2.gz CWDZWUHTFCVJBW-NXEZZACHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434549 180046820 /nfs/dbraw/zinc/04/68/20/180046820.db2.gz VCXWGNRKMUHSKD-IONNQARKSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434549 180046822 /nfs/dbraw/zinc/04/68/22/180046822.db2.gz VCXWGNRKMUHSKD-IONNQARKSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000367667854 180047044 /nfs/dbraw/zinc/04/70/44/180047044.db2.gz FOBNBWNRWRMQRL-CBAPKCEASA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000367667854 180047045 /nfs/dbraw/zinc/04/70/45/180047045.db2.gz FOBNBWNRWRMQRL-CBAPKCEASA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nnc([C@H]2C[N@@H+]([C@@H]3CCOC3)CCO2)[nH]1 ZINC000328616774 180057368 /nfs/dbraw/zinc/05/73/68/180057368.db2.gz SWBDAYDDLVCOAH-NXEZZACHSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nnc([C@H]2C[N@H+]([C@@H]3CCOC3)CCO2)[nH]1 ZINC000328616774 180057371 /nfs/dbraw/zinc/05/73/71/180057371.db2.gz SWBDAYDDLVCOAH-NXEZZACHSA-N 1 2 238.291 0.275 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C ZINC000132219443 191027338 /nfs/dbraw/zinc/02/73/38/191027338.db2.gz UQVSOCZAMYVXHI-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO Cn1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000637008288 350138461 /nfs/dbraw/zinc/13/84/61/350138461.db2.gz FFLXETNUUDHLBN-QMMMGPOBSA-N 1 2 246.274 0.363 20 0 BCADLO Cc1nc2ccc(NCc3[nH+]ccn3C)nn2n1 ZINC000287915374 180095831 /nfs/dbraw/zinc/09/58/31/180095831.db2.gz OQUZBXCOXVWKJT-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000132386904 191031688 /nfs/dbraw/zinc/03/16/88/191031688.db2.gz VZEPMLZIVAQTTJ-BDAKNGLRSA-N 1 2 203.282 0.545 20 0 BCADLO Cc1[nH+]c2ccccn2c1Cn1cnn(C)c1=O ZINC000358264947 180107565 /nfs/dbraw/zinc/10/75/65/180107565.db2.gz PQABJKYNFXSACH-UHFFFAOYSA-N 1 2 243.270 0.586 20 0 BCADLO CC[C@@](C)([NH2+]Cc1ncc(C)o1)C(N)=O ZINC000133233453 191037560 /nfs/dbraw/zinc/03/75/60/191037560.db2.gz SMJCVAJQUALLAZ-SNVBAGLBSA-N 1 2 211.265 0.727 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000371195846 180112876 /nfs/dbraw/zinc/11/28/76/180112876.db2.gz ANJDAWUAJWDMDN-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nc2n(n1)CC[N@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000371195846 180112879 /nfs/dbraw/zinc/11/28/79/180112879.db2.gz ANJDAWUAJWDMDN-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000371195844 180113338 /nfs/dbraw/zinc/11/33/38/180113338.db2.gz ANJDAWUAJWDMDN-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nc2n(n1)CC[N@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000371195844 180113339 /nfs/dbraw/zinc/11/33/39/180113339.db2.gz ANJDAWUAJWDMDN-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO CS[C@H](CO)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304523860 350161901 /nfs/dbraw/zinc/16/19/01/350161901.db2.gz SLBMIFOUIZBYJT-CAHLUQPWSA-N 1 2 243.336 0.287 20 0 BCADLO CS[C@H](CO)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304523860 350161904 /nfs/dbraw/zinc/16/19/04/350161904.db2.gz SLBMIFOUIZBYJT-CAHLUQPWSA-N 1 2 243.336 0.287 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CO ZINC000178617563 180104677 /nfs/dbraw/zinc/10/46/77/180104677.db2.gz AIOAYXWWDQIZMP-VIFPVBQESA-N 1 2 247.298 0.842 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000329086977 180143549 /nfs/dbraw/zinc/14/35/49/180143549.db2.gz VAPYWTIBGDWUOA-LLVKDONJSA-N 1 2 247.302 0.199 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000329086977 180143551 /nfs/dbraw/zinc/14/35/51/180143551.db2.gz VAPYWTIBGDWUOA-LLVKDONJSA-N 1 2 247.302 0.199 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000151944909 538064505 /nfs/dbraw/zinc/06/45/05/538064505.db2.gz CFHMFFNNHSKFSR-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@@H](NC(=O)CCCC(N)=O)c1[nH]cc[nH+]1 ZINC000427197912 191056430 /nfs/dbraw/zinc/05/64/30/191056430.db2.gz RVQOGZQFHFVSRF-MRVPVSSYSA-N 1 2 238.291 0.633 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cn1cccn1 ZINC000359480681 180118954 /nfs/dbraw/zinc/11/89/54/180118954.db2.gz KTIVFDVGSNNLLV-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCO[C@@H]1C ZINC000335946596 180119029 /nfs/dbraw/zinc/11/90/29/180119029.db2.gz HGUAQWAOWNMVSS-BDAKNGLRSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC1CC1 ZINC000359246614 180119422 /nfs/dbraw/zinc/11/94/22/180119422.db2.gz SBQZESROIXNRCK-UHFFFAOYSA-N 1 2 237.303 0.492 20 0 BCADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637100896 350200405 /nfs/dbraw/zinc/20/04/05/350200405.db2.gz VMOLFCIRIPWWFF-YJQGPUDQSA-N 1 2 246.314 0.906 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637143671 350216686 /nfs/dbraw/zinc/21/66/86/350216686.db2.gz IUCUPANKFTYSIG-KKZNHRDASA-N 1 2 234.303 0.906 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc[nH+]1 ZINC000364430969 180194467 /nfs/dbraw/zinc/19/44/67/180194467.db2.gz RRVJUWWKFLKDGN-HOSYDEDBSA-N 1 2 246.314 0.875 20 0 BCADLO Cc1nc(N2CC[S@](=O)C[C@H](C)C2)cc[nH+]1 ZINC000277915182 180194790 /nfs/dbraw/zinc/19/47/90/180194790.db2.gz GQEORVBWTSWSKX-ABKXIKBNSA-N 1 2 239.344 0.990 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@H](C(N)=O)C2)cc[nH+]1 ZINC000284749307 180194989 /nfs/dbraw/zinc/19/49/89/180194989.db2.gz XJGGCIBGQGAFGX-VXNVDRBHSA-N 1 2 220.276 0.343 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000299891093 180195315 /nfs/dbraw/zinc/19/53/15/180195315.db2.gz GQSHIMHEMYPNQX-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(NCC(=O)NCC2CC2)cc[nH+]1 ZINC000272254354 180197400 /nfs/dbraw/zinc/19/74/00/180197400.db2.gz TZLOHTPCDRUODH-UHFFFAOYSA-N 1 2 220.276 0.723 20 0 BCADLO Cc1nc(NCCc2nnc[nH]2)cc[nH+]1 ZINC000070646474 180200970 /nfs/dbraw/zinc/20/09/70/180200970.db2.gz FICLRRIFJGLMPQ-UHFFFAOYSA-N 1 2 204.237 0.558 20 0 BCADLO Cc1nc(NC[C@@H]2COCCO2)cc[nH+]1 ZINC000054936020 180201433 /nfs/dbraw/zinc/20/14/33/180201433.db2.gz WFCYYUIUPSRGCP-SECBINFHSA-N 1 2 209.249 0.612 20 0 BCADLO Cc1nc(N[C@@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000281580265 180202187 /nfs/dbraw/zinc/20/21/87/180202187.db2.gz FSVYCBNIZPHDEB-IONNQARKSA-N 1 2 220.276 0.864 20 0 BCADLO Cc1nc(N[C@@H]2CCCCNC2=O)cc[nH+]1 ZINC000266342451 180203671 /nfs/dbraw/zinc/20/36/71/180203671.db2.gz IIGOFEQRMFWVFO-SECBINFHSA-N 1 2 220.276 0.866 20 0 BCADLO Cc1nc(N[C@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000193535084 180204753 /nfs/dbraw/zinc/20/47/53/180204753.db2.gz RJLUFXCHNZZROY-GMSGAONNSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1nccc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072351178 180206926 /nfs/dbraw/zinc/20/69/26/180206926.db2.gz KGRJNGBFLRDFHP-SNVBAGLBSA-N 1 2 234.303 0.450 20 0 BCADLO Cc1nccc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072351178 180206928 /nfs/dbraw/zinc/20/69/28/180206928.db2.gz KGRJNGBFLRDFHP-SNVBAGLBSA-N 1 2 234.303 0.450 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)n1 ZINC000373644667 180183156 /nfs/dbraw/zinc/18/31/56/180183156.db2.gz OKAZXEZVIFWSFJ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@@H]2CCCCNC2=O)n1 ZINC000373644667 180183164 /nfs/dbraw/zinc/18/31/64/180183164.db2.gz OKAZXEZVIFWSFJ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)n1 ZINC000377085658 180183457 /nfs/dbraw/zinc/18/34/57/180183457.db2.gz BWVLWTYZGSPRLK-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)n1 ZINC000377085658 180183459 /nfs/dbraw/zinc/18/34/59/180183459.db2.gz BWVLWTYZGSPRLK-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000123521533 180221506 /nfs/dbraw/zinc/22/15/06/180221506.db2.gz KQOCBUGJLDLSBV-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ncccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000123521533 180221508 /nfs/dbraw/zinc/22/15/08/180221508.db2.gz KQOCBUGJLDLSBV-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO C[C@@H](F)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637174086 350233501 /nfs/dbraw/zinc/23/35/01/350233501.db2.gz PXTZJGKEMPZPLI-RKDXNWHRSA-N 1 2 240.282 0.855 20 0 BCADLO CC(=O)NCCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000605153057 350257011 /nfs/dbraw/zinc/25/70/11/350257011.db2.gz RSSHVKUERZCMTN-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CC(=O)NCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000605153057 350257014 /nfs/dbraw/zinc/25/70/14/350257014.db2.gz RSSHVKUERZCMTN-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO Cc1[nH+]ccn1CCNC(=O)c1cncc(O)c1 ZINC000336793943 180257748 /nfs/dbraw/zinc/25/77/48/180257748.db2.gz ZBUUTFOFRRGUJR-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000334847253 538078383 /nfs/dbraw/zinc/07/83/83/538078383.db2.gz ZNXUQEXKHUTTNA-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000334847253 538078386 /nfs/dbraw/zinc/07/83/86/538078386.db2.gz ZNXUQEXKHUTTNA-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000617956352 350271546 /nfs/dbraw/zinc/27/15/46/350271546.db2.gz VHWFOPRWHFZTQQ-HOMQSWHASA-N 1 2 237.303 0.646 20 0 BCADLO CC[C@H](O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000305085970 490431879 /nfs/dbraw/zinc/43/18/79/490431879.db2.gz UHQCDPBDCIWKLC-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO Cc1ncncc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000296971482 180292904 /nfs/dbraw/zinc/29/29/04/180292904.db2.gz DPHALMZDNKYONK-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO COCC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000617188833 350309070 /nfs/dbraw/zinc/30/90/70/350309070.db2.gz JMRVBVPZJAVFIH-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000637237018 350322867 /nfs/dbraw/zinc/32/28/67/350322867.db2.gz RTYQZMONIKOGSU-VLEAKVRGSA-N 1 2 246.314 0.906 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@]12C[C@H]1CCC2 ZINC000617207643 350360563 /nfs/dbraw/zinc/36/05/63/350360563.db2.gz XLXKEQDERWHSMA-MWLCHTKSSA-N 1 2 205.261 0.942 20 0 BCADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1CO ZINC000309373293 350361987 /nfs/dbraw/zinc/36/19/87/350361987.db2.gz PSKKZKHLTAADJA-UWVGGRQHSA-N 1 2 223.276 0.112 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)ncn1 ZINC000428378692 191101382 /nfs/dbraw/zinc/10/13/82/191101382.db2.gz AUAMAEYXCLDGBC-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)ncn1 ZINC000428378692 191101385 /nfs/dbraw/zinc/10/13/85/191101385.db2.gz AUAMAEYXCLDGBC-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000069637875 180334028 /nfs/dbraw/zinc/33/40/28/180334028.db2.gz UEIYIQKWFWJCLD-UHFFFAOYSA-N 1 2 247.302 0.663 20 0 BCADLO Cc1nc(NCCc2nnc(N)o2)cc[nH+]1 ZINC000309243294 323334406 /nfs/dbraw/zinc/33/44/06/323334406.db2.gz BJJNNPKSKXRGJH-UHFFFAOYSA-N 1 2 220.236 0.405 20 0 BCADLO CCc1cc(N[C@@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040765038 350394630 /nfs/dbraw/zinc/39/46/30/350394630.db2.gz YSFNEXKZZWBYKA-SECBINFHSA-N 1 2 241.316 0.638 20 0 BCADLO CCc1cc(NCC(=O)NC2CC2)nc[nH+]1 ZINC000040765134 350395214 /nfs/dbraw/zinc/39/52/14/350395214.db2.gz DIGHKPMNUMVSNW-UHFFFAOYSA-N 1 2 220.276 0.730 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)[C@@H]1CCOC1 ZINC000336650868 350419291 /nfs/dbraw/zinc/41/92/91/350419291.db2.gz HSHQJIHBJPDYMN-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)[C@@H]1CCOC1 ZINC000336650868 350419292 /nfs/dbraw/zinc/41/92/92/350419292.db2.gz HSHQJIHBJPDYMN-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nn(C)cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000113142298 180366444 /nfs/dbraw/zinc/36/64/44/180366444.db2.gz UKGYBUXZTXSHGX-UHFFFAOYSA-N 1 2 247.302 0.734 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000224927759 180370616 /nfs/dbraw/zinc/37/06/16/180370616.db2.gz MVHCOFANAFSHJN-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000224927759 180370618 /nfs/dbraw/zinc/37/06/18/180370618.db2.gz MVHCOFANAFSHJN-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CC(C)(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000035270394 358456858 /nfs/dbraw/zinc/45/68/58/358456858.db2.gz FDJRQJAPQHMCDB-UHFFFAOYSA-N 1 2 228.336 0.871 20 0 BCADLO COC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908714 350441174 /nfs/dbraw/zinc/44/11/74/350441174.db2.gz IABMBMPDDZEVIA-HTQZYQBOSA-N 1 2 203.307 0.985 20 0 BCADLO CC[N@H+](Cc1nc(C)no1)[C@H]1CCOC1 ZINC000336686840 350443125 /nfs/dbraw/zinc/44/31/25/350443125.db2.gz LCCNWMKIKSYVJF-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nc(C)no1)[C@H]1CCOC1 ZINC000336686840 350443131 /nfs/dbraw/zinc/44/31/31/350443131.db2.gz LCCNWMKIKSYVJF-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCOCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428002454 191105074 /nfs/dbraw/zinc/10/50/74/191105074.db2.gz XKWJYHTVYCKOCV-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427998133 191105205 /nfs/dbraw/zinc/10/52/05/191105205.db2.gz UXAJDVGZIXBRAL-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189685512 350472200 /nfs/dbraw/zinc/47/22/00/350472200.db2.gz SBXMKOOIKGPIBZ-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](OCCOC)C1 ZINC000189685512 350472201 /nfs/dbraw/zinc/47/22/01/350472201.db2.gz SBXMKOOIKGPIBZ-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCc1cc(NCCCC(=O)NC)nc[nH+]1 ZINC000309459727 350513959 /nfs/dbraw/zinc/51/39/59/350513959.db2.gz NOJVSMHLRRCWQG-UHFFFAOYSA-N 1 2 222.292 0.977 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CCC2)o1 ZINC000221202002 180405263 /nfs/dbraw/zinc/40/52/63/180405263.db2.gz FMOBWUIUYGVMTE-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CCC2)o1 ZINC000221202002 180405266 /nfs/dbraw/zinc/40/52/66/180405266.db2.gz FMOBWUIUYGVMTE-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnsc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000577495926 365969165 /nfs/dbraw/zinc/96/91/65/365969165.db2.gz BMYDCNGTHSYVPL-SNVBAGLBSA-N 1 2 243.332 0.430 20 0 BCADLO Cc1nnsc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000577495926 365969170 /nfs/dbraw/zinc/96/91/70/365969170.db2.gz BMYDCNGTHSYVPL-SNVBAGLBSA-N 1 2 243.332 0.430 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000628307456 350603873 /nfs/dbraw/zinc/60/38/73/350603873.db2.gz KRVKOPQCGKGULS-UHFFFAOYSA-N 1 2 235.287 0.730 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000051130750 350604558 /nfs/dbraw/zinc/60/45/58/350604558.db2.gz COIQIDIVGSAHFV-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000051130750 350604560 /nfs/dbraw/zinc/60/45/60/350604560.db2.gz COIQIDIVGSAHFV-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](F)C1 ZINC000637441703 350582956 /nfs/dbraw/zinc/58/29/56/350582956.db2.gz NHDBVSXUNYQNFQ-ZJUUUORDSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](F)C1 ZINC000637441703 350582959 /nfs/dbraw/zinc/58/29/59/350582959.db2.gz NHDBVSXUNYQNFQ-ZJUUUORDSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000637444471 350586263 /nfs/dbraw/zinc/58/62/63/350586263.db2.gz RXRHASOIWPJUAE-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000637444471 350586264 /nfs/dbraw/zinc/58/62/64/350586264.db2.gz RXRHASOIWPJUAE-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO COc1ccc[nH+]c1NCCCOCCO ZINC000230772667 350607677 /nfs/dbraw/zinc/60/76/77/350607677.db2.gz PCTWNRAAFDCHCU-UHFFFAOYSA-N 1 2 226.276 0.901 20 0 BCADLO C/C=C\CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637481956 350634551 /nfs/dbraw/zinc/63/45/51/350634551.db2.gz DBJFSWGQVVVDBH-PKRMOACSSA-N 1 2 220.276 0.683 20 0 BCADLO c1cn(-c2ncccc2-c2nn[nH]n2)c[nH+]1 ZINC000095220298 350656679 /nfs/dbraw/zinc/65/66/79/350656679.db2.gz QFLNYVLXBIHSAQ-UHFFFAOYSA-N 1 2 213.204 0.447 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@](O)(CO)C2)[nH]c1C ZINC000628307993 350707289 /nfs/dbraw/zinc/70/72/89/350707289.db2.gz PCKLWZRECNZNMJ-LBPRGKRZSA-N 1 2 239.319 0.346 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@](O)(CO)C2)[nH]c1C ZINC000628307993 350707292 /nfs/dbraw/zinc/70/72/92/350707292.db2.gz PCKLWZRECNZNMJ-LBPRGKRZSA-N 1 2 239.319 0.346 20 0 BCADLO Cc1[nH]c(CN2CCC[C@@](O)(CO)C2)[nH+]c1C ZINC000628307993 350707293 /nfs/dbraw/zinc/70/72/93/350707293.db2.gz PCKLWZRECNZNMJ-LBPRGKRZSA-N 1 2 239.319 0.346 20 0 BCADLO CCc1nc(C[N@H+](CCO)C[C@H](C)O)cs1 ZINC000289899518 350678089 /nfs/dbraw/zinc/67/80/89/350678089.db2.gz SJFQJCLHKSBSDN-VIFPVBQESA-N 1 2 244.360 0.881 20 0 BCADLO CCc1nc(C[N@@H+](CCO)C[C@H](C)O)cs1 ZINC000289899518 350678094 /nfs/dbraw/zinc/67/80/94/350678094.db2.gz SJFQJCLHKSBSDN-VIFPVBQESA-N 1 2 244.360 0.881 20 0 BCADLO COC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000177240176 365989220 /nfs/dbraw/zinc/98/92/20/365989220.db2.gz QRVQLHJHDKIJRO-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CCOCCO ZINC000096832878 350682736 /nfs/dbraw/zinc/68/27/36/350682736.db2.gz NDHQDVAXMPJSBC-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CCOCCO ZINC000096832878 350682741 /nfs/dbraw/zinc/68/27/41/350682741.db2.gz NDHQDVAXMPJSBC-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccon1 ZINC000309504410 323419595 /nfs/dbraw/zinc/41/95/95/323419595.db2.gz BOPREEODNBOEBQ-SCZZXKLOSA-N 1 2 223.276 0.946 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000577583451 366003614 /nfs/dbraw/zinc/00/36/14/366003614.db2.gz XJZIGEBOBJZQID-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000577583451 366003620 /nfs/dbraw/zinc/00/36/20/366003620.db2.gz XJZIGEBOBJZQID-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000051736256 350814952 /nfs/dbraw/zinc/81/49/52/350814952.db2.gz URMKAJQNXWZOJH-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000051736256 350814954 /nfs/dbraw/zinc/81/49/54/350814954.db2.gz URMKAJQNXWZOJH-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)[C@H](C)CO ZINC000339627432 350769284 /nfs/dbraw/zinc/76/92/84/350769284.db2.gz NYJHQVZKXPGMLG-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)[C@H](C)CO ZINC000339627432 350769287 /nfs/dbraw/zinc/76/92/87/350769287.db2.gz NYJHQVZKXPGMLG-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@H+](Cc1nc(CCOC)no1)[C@@H](C)CO ZINC000339629332 350769663 /nfs/dbraw/zinc/76/96/63/350769663.db2.gz ZTEGXJLBYBHGSV-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@@H+](Cc1nc(CCOC)no1)[C@@H](C)CO ZINC000339629332 350769667 /nfs/dbraw/zinc/76/96/67/350769667.db2.gz ZTEGXJLBYBHGSV-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000334628919 350783702 /nfs/dbraw/zinc/78/37/02/350783702.db2.gz CTTYKWWVOPMJCP-NEPJUHHUSA-N 1 2 236.315 0.494 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000334628919 350783708 /nfs/dbraw/zinc/78/37/08/350783708.db2.gz CTTYKWWVOPMJCP-NEPJUHHUSA-N 1 2 236.315 0.494 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000334628920 350783979 /nfs/dbraw/zinc/78/39/79/350783979.db2.gz CTTYKWWVOPMJCP-VXGBXAGGSA-N 1 2 236.315 0.494 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000334628920 350783985 /nfs/dbraw/zinc/78/39/85/350783985.db2.gz CTTYKWWVOPMJCP-VXGBXAGGSA-N 1 2 236.315 0.494 20 0 BCADLO C[C@@H](O)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607143836 350944006 /nfs/dbraw/zinc/94/40/06/350944006.db2.gz LBZLGKLQYILLKG-SECBINFHSA-N 1 2 233.275 0.479 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000052635312 351063223 /nfs/dbraw/zinc/06/32/23/351063223.db2.gz ORQOKXFTRJVPAH-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659296 351064899 /nfs/dbraw/zinc/06/48/99/351064899.db2.gz QTDBVHSATVOVGF-UHFFFAOYSA-N 1 2 229.324 0.049 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659296 351064902 /nfs/dbraw/zinc/06/49/02/351064902.db2.gz QTDBVHSATVOVGF-UHFFFAOYSA-N 1 2 229.324 0.049 20 0 BCADLO Cc1nc(C[N@@H+]2CCC(=O)N(C)CC2)[nH]c1C ZINC000628341366 351285548 /nfs/dbraw/zinc/28/55/48/351285548.db2.gz KCTXLQIUGXNIQR-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO Cc1nc(C[N@H+]2CCC(=O)N(C)CC2)[nH]c1C ZINC000628341366 351285550 /nfs/dbraw/zinc/28/55/50/351285550.db2.gz KCTXLQIUGXNIQR-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO Cc1[nH]c(CN2CCC(=O)N(C)CC2)[nH+]c1C ZINC000628341366 351285553 /nfs/dbraw/zinc/28/55/53/351285553.db2.gz KCTXLQIUGXNIQR-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1cc(OC)cc[nH+]1 ZINC000265838768 351275949 /nfs/dbraw/zinc/27/59/49/351275949.db2.gz WOOPLIPEUZNSBG-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@H+](CCOCCO)Cc1cnns1 ZINC000380129101 351361956 /nfs/dbraw/zinc/36/19/56/351361956.db2.gz WHJVAEMJSZUIJT-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1cnns1 ZINC000380129101 351361958 /nfs/dbraw/zinc/36/19/58/351361958.db2.gz WHJVAEMJSZUIJT-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000061679060 191135589 /nfs/dbraw/zinc/13/55/89/191135589.db2.gz GXPHGCMEXLNZFQ-IUCAKERBSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000061679060 191135590 /nfs/dbraw/zinc/13/55/90/191135590.db2.gz GXPHGCMEXLNZFQ-IUCAKERBSA-N 1 2 200.282 0.361 20 0 BCADLO CCN1CC[N@H+](CCc2cccnc2)CC1=O ZINC000273543069 351535170 /nfs/dbraw/zinc/53/51/70/351535170.db2.gz TYVLMYALLRKDIX-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CCN1CC[N@@H+](CCc2cccnc2)CC1=O ZINC000273543069 351535171 /nfs/dbraw/zinc/53/51/71/351535171.db2.gz TYVLMYALLRKDIX-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CC(C)CN1CCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000275111365 351593616 /nfs/dbraw/zinc/59/36/16/351593616.db2.gz MZQKOCYEGQYARE-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccn1 ZINC000088094460 351597927 /nfs/dbraw/zinc/59/79/27/351597927.db2.gz BGNVQZZAOVSGFD-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccccn1 ZINC000088094460 351597930 /nfs/dbraw/zinc/59/79/30/351597930.db2.gz BGNVQZZAOVSGFD-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO CCn1nccc1C[N@H+](C)CCNC(C)=O ZINC000577665540 366033278 /nfs/dbraw/zinc/03/32/78/366033278.db2.gz XCMYMWPUGJRWPV-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1nccc1C[N@@H+](C)CCNC(C)=O ZINC000577665540 366033286 /nfs/dbraw/zinc/03/32/86/366033286.db2.gz XCMYMWPUGJRWPV-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO c1nn[nH]c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000577658512 366034202 /nfs/dbraw/zinc/03/42/02/366034202.db2.gz NGVPNKGRISUEQP-NSHDSACASA-N 1 2 221.308 0.475 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCC1(O)CC1 ZINC000577691977 366036449 /nfs/dbraw/zinc/03/64/49/366036449.db2.gz KXHYOHMJGLHHEY-UHFFFAOYSA-N 1 2 233.275 0.783 20 0 BCADLO CC1(C)C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276548074 351631870 /nfs/dbraw/zinc/63/18/70/351631870.db2.gz HEMVDHPRJVDHOV-ONEGZZNKSA-N 1 2 248.286 0.160 20 0 BCADLO CC[N@H+](Cc1ccc(CO)o1)C1COC1 ZINC000577705635 366039550 /nfs/dbraw/zinc/03/95/50/366039550.db2.gz DXRZAPDPGYXHSI-UHFFFAOYSA-N 1 2 211.261 0.993 20 0 BCADLO CC[N@@H+](Cc1ccc(CO)o1)C1COC1 ZINC000577705635 366039556 /nfs/dbraw/zinc/03/95/56/366039556.db2.gz DXRZAPDPGYXHSI-UHFFFAOYSA-N 1 2 211.261 0.993 20 0 BCADLO CC1(C)CC[C@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000278552313 351769739 /nfs/dbraw/zinc/76/97/39/351769739.db2.gz OMEKHUIQLZBTGW-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO CC[C@@](C)(C[N@@H+]1CCn2cnnc2C1)OC ZINC000638048435 351928511 /nfs/dbraw/zinc/92/85/11/351928511.db2.gz DDHOCWHKFCNLFN-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@](C)(C[N@H+]1CCn2cnnc2C1)OC ZINC000638048435 351928514 /nfs/dbraw/zinc/92/85/14/351928514.db2.gz DDHOCWHKFCNLFN-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO OC[C@H]1C[N@H+](Cc2c[nH]c3ncncc23)CCO1 ZINC000638068432 351939737 /nfs/dbraw/zinc/93/97/37/351939737.db2.gz XJNTXPKTSQWHSW-SNVBAGLBSA-N 1 2 248.286 0.103 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CCO1 ZINC000638068432 351939740 /nfs/dbraw/zinc/93/97/40/351939740.db2.gz XJNTXPKTSQWHSW-SNVBAGLBSA-N 1 2 248.286 0.103 20 0 BCADLO CC(C)c1nc(N(C)[C@H]2CCNC2=O)cc[nH+]1 ZINC000340084080 351884550 /nfs/dbraw/zinc/88/45/50/351884550.db2.gz YPMQFXBRUUEUQB-VIFPVBQESA-N 1 2 234.303 0.925 20 0 BCADLO CCN(c1cc[nH+]c(C)n1)[C@H]1CCNC1=O ZINC000281745565 351907256 /nfs/dbraw/zinc/90/72/56/351907256.db2.gz QQOOXVAXZROEEO-VIFPVBQESA-N 1 2 220.276 0.500 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@]1(N)CC1(F)F ZINC000638091931 351969860 /nfs/dbraw/zinc/96/98/60/351969860.db2.gz ZTSXQPOZHJGCOO-SECBINFHSA-N 1 2 243.213 0.765 20 0 BCADLO CO[C@]1(C[N@H+](C)Cc2nnc[nH]2)CCOC1 ZINC000638096520 351977256 /nfs/dbraw/zinc/97/72/56/351977256.db2.gz JAEDNVCXSBEINC-JTQLQIEISA-N 1 2 226.280 0.042 20 0 BCADLO CO[C@]1(C[N@@H+](C)Cc2nnc[nH]2)CCOC1 ZINC000638096520 351977258 /nfs/dbraw/zinc/97/72/58/351977258.db2.gz JAEDNVCXSBEINC-JTQLQIEISA-N 1 2 226.280 0.042 20 0 BCADLO CCc1nc(N(C)[C@@H]2COC[C@H]2O)cc(C)[nH+]1 ZINC000286400216 352087972 /nfs/dbraw/zinc/08/79/72/352087972.db2.gz PMJJOMXBAANRCQ-NXEZZACHSA-N 1 2 237.303 0.543 20 0 BCADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)C1CCOCC1 ZINC000638328875 352146770 /nfs/dbraw/zinc/14/67/70/352146770.db2.gz LXQDYLZONAJQEC-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cncc(O)c2)[C@H](C)C1 ZINC000288397279 352147943 /nfs/dbraw/zinc/14/79/43/352147943.db2.gz LAUVTXHHRIGSLX-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cncc(O)c2)[C@H](C)C1 ZINC000288397279 352147945 /nfs/dbraw/zinc/14/79/45/352147945.db2.gz LAUVTXHHRIGSLX-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366681007 352277700 /nfs/dbraw/zinc/27/77/00/352277700.db2.gz NXGXEQNJNIACIK-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366681007 352277703 /nfs/dbraw/zinc/27/77/03/352277703.db2.gz NXGXEQNJNIACIK-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO Cc1cc(NC(=O)[C@H](CC(C)C)C(N)=O)cc[nH+]1 ZINC000411201977 191170900 /nfs/dbraw/zinc/17/09/00/191170900.db2.gz TYFAMJUINFDUOS-LLVKDONJSA-N 1 2 249.314 0.898 20 0 BCADLO CCn1ncc(C(=O)N2CC[NH+](CC)CC2)n1 ZINC000292555388 352325198 /nfs/dbraw/zinc/32/51/98/352325198.db2.gz BHLZBMDTRHXFNT-UHFFFAOYSA-N 1 2 237.307 0.076 20 0 BCADLO CC[N@H+](Cc1cc(C)ncn1)[C@@H]1CCNC1=O ZINC000292855181 352331592 /nfs/dbraw/zinc/33/15/92/352331592.db2.gz OCBVFHFNDXRSKH-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cc(C)ncn1)[C@@H]1CCNC1=O ZINC000292855181 352331597 /nfs/dbraw/zinc/33/15/97/352331597.db2.gz OCBVFHFNDXRSKH-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[C@](C)([NH2+]CCC(=O)OC)C(=O)OC ZINC000411435700 191186178 /nfs/dbraw/zinc/18/61/78/191186178.db2.gz CKZSXIYMGSDGOR-JTQLQIEISA-N 1 2 217.265 0.481 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276533050 187687768 /nfs/dbraw/zinc/68/77/68/187687768.db2.gz DYMIVGZPYDQCJB-UFFNRZRYSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000411666406 191203568 /nfs/dbraw/zinc/20/35/68/191203568.db2.gz HVNCVMXKTNMYRQ-CBAPKCEASA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000411666406 191203571 /nfs/dbraw/zinc/20/35/71/191203571.db2.gz HVNCVMXKTNMYRQ-CBAPKCEASA-N 1 2 224.308 0.877 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411528519 191191799 /nfs/dbraw/zinc/19/17/99/191191799.db2.gz HCVYEFFZAHJESL-LPEHRKFASA-N 1 2 217.309 0.935 20 0 BCADLO COC[C@H](CCO)[NH2+]Cc1ncc(C)o1 ZINC000638649052 352492067 /nfs/dbraw/zinc/49/20/67/352492067.db2.gz OJDODSODVHSRBQ-VIFPVBQESA-N 1 2 214.265 0.470 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCOC1 ZINC000264345507 180745581 /nfs/dbraw/zinc/74/55/81/180745581.db2.gz DFCHKORNAOWKNK-SECBINFHSA-N 1 2 238.291 0.398 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000617411036 352555144 /nfs/dbraw/zinc/55/51/44/352555144.db2.gz SKTSSUMCWNJZOM-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO CCN(C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC000608011133 352605404 /nfs/dbraw/zinc/60/54/04/352605404.db2.gz PBZUDZBHACMIBN-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO Cn1cccc1C[NH2+]Cc1nnnn1C1CC1 ZINC000608068682 352664981 /nfs/dbraw/zinc/66/49/81/352664981.db2.gz WSDKKKFPXQYPRB-UHFFFAOYSA-N 1 2 232.291 0.636 20 0 BCADLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)OC(C)(C)C ZINC000411926655 191232201 /nfs/dbraw/zinc/23/22/01/191232201.db2.gz WLBJSVDWRGRESZ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)OC(C)(C)C ZINC000411926655 191232204 /nfs/dbraw/zinc/23/22/04/191232204.db2.gz WLBJSVDWRGRESZ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO COCC1(N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000617469214 352716212 /nfs/dbraw/zinc/71/62/12/352716212.db2.gz AWAZTEJYCSTMPV-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)CCS(C)(=O)=O)o1 ZINC000638747998 352682909 /nfs/dbraw/zinc/68/29/09/352682909.db2.gz GBSMMWNWFJVWHU-MRVPVSSYSA-N 1 2 246.332 0.896 20 0 BCADLO Cn1nnnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608083203 352755770 /nfs/dbraw/zinc/75/57/70/352755770.db2.gz YKXZGQKBPSVBGP-VIFPVBQESA-N 1 2 233.279 0.248 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202573 352796421 /nfs/dbraw/zinc/79/64/21/352796421.db2.gz PUZIMXOZSUEIJU-RKDXNWHRSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202573 352796424 /nfs/dbraw/zinc/79/64/24/352796424.db2.gz PUZIMXOZSUEIJU-RKDXNWHRSA-N 1 2 222.292 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C)CC1 ZINC000334205143 352800426 /nfs/dbraw/zinc/80/04/26/352800426.db2.gz UDIHYIHCHMFULB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C)CC1 ZINC000334205143 352800429 /nfs/dbraw/zinc/80/04/29/352800429.db2.gz UDIHYIHCHMFULB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccn1 ZINC000342858561 352877407 /nfs/dbraw/zinc/87/74/07/352877407.db2.gz AUBOJAVPVYUBPI-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccn1 ZINC000342858561 352877409 /nfs/dbraw/zinc/87/74/09/352877409.db2.gz AUBOJAVPVYUBPI-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)N1CCC1 ZINC000334239126 352858330 /nfs/dbraw/zinc/85/83/30/352858330.db2.gz NIVRTTOODQJLFR-QWRGUYRKSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)N1CCC1 ZINC000334239126 352858333 /nfs/dbraw/zinc/85/83/33/352858333.db2.gz NIVRTTOODQJLFR-QWRGUYRKSA-N 1 2 224.304 0.472 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412065472 191257073 /nfs/dbraw/zinc/25/70/73/191257073.db2.gz FSDAPWPFUYVSGW-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412065472 191257076 /nfs/dbraw/zinc/25/70/76/191257076.db2.gz FSDAPWPFUYVSGW-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1c[nH+]c(CN2CC(=O)N(CC3CC3)C2)n1C ZINC000342852524 352875448 /nfs/dbraw/zinc/87/54/48/352875448.db2.gz DOOGRDVHSRUSLI-UHFFFAOYSA-N 1 2 248.330 0.740 20 0 BCADLO CO[C@@H]1CN(Cc2[nH+]cc(C)n2C)C[C@H]1OC ZINC000342854822 352876283 /nfs/dbraw/zinc/87/62/83/352876283.db2.gz UHZGMGZNHKVGBP-GHMZBOCLSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ncc(C)n2C)C[C@H]1OC ZINC000342854822 352876286 /nfs/dbraw/zinc/87/62/86/352876286.db2.gz UHZGMGZNHKVGBP-GHMZBOCLSA-N 1 2 239.319 0.574 20 0 BCADLO COc1cc(C[N@H+](C)CC(N)=O)ccn1 ZINC000342861025 352879196 /nfs/dbraw/zinc/87/91/96/352879196.db2.gz UXZWCMQKWOMWMM-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1cc(C[N@@H+](C)CC(N)=O)ccn1 ZINC000342861025 352879199 /nfs/dbraw/zinc/87/91/99/352879199.db2.gz UXZWCMQKWOMWMM-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO Cn1ncc(CN2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000367711077 180815767 /nfs/dbraw/zinc/81/57/67/180815767.db2.gz XIICHBUURQNLAS-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2ccccn2)C1 ZINC000334253940 352891379 /nfs/dbraw/zinc/89/13/79/352891379.db2.gz KJAXKSZPSYPYEJ-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2ccccn2)C1 ZINC000334253940 352891382 /nfs/dbraw/zinc/89/13/82/352891382.db2.gz KJAXKSZPSYPYEJ-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334254374 352892286 /nfs/dbraw/zinc/89/22/86/352892286.db2.gz MXXIGKUTFBCMNV-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334254374 352892291 /nfs/dbraw/zinc/89/22/91/352892291.db2.gz MXXIGKUTFBCMNV-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO O=C1[C@H]([NH+]2CCOCC2)CCN1C1CC1 ZINC000334337467 352973259 /nfs/dbraw/zinc/97/32/59/352973259.db2.gz VWCQKSNWZYVIDJ-SNVBAGLBSA-N 1 2 210.277 0.082 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412096836 191260442 /nfs/dbraw/zinc/26/04/42/191260442.db2.gz SUBUSYIDCZCFCF-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412096836 191260445 /nfs/dbraw/zinc/26/04/45/191260445.db2.gz SUBUSYIDCZCFCF-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412097018 191260604 /nfs/dbraw/zinc/26/06/04/191260604.db2.gz SUBUSYIDCZCFCF-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412097018 191260607 /nfs/dbraw/zinc/26/06/07/191260607.db2.gz SUBUSYIDCZCFCF-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000334318412 352948902 /nfs/dbraw/zinc/94/89/02/352948902.db2.gz WKGWZRJQEXYSNY-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000334318412 352948905 /nfs/dbraw/zinc/94/89/05/352948905.db2.gz WKGWZRJQEXYSNY-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO Cn1ncc2c1nc(NCc1cc[nH]n1)[nH+]c2N ZINC000302719302 180821751 /nfs/dbraw/zinc/82/17/51/180821751.db2.gz ZHEWXIHHVRNDMZ-UHFFFAOYSA-N 1 2 244.262 0.281 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412102964 191262566 /nfs/dbraw/zinc/26/25/66/191262566.db2.gz YJSRKZKTXKDAPV-PWSUYJOCSA-N 1 2 229.320 0.827 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412102964 191262572 /nfs/dbraw/zinc/26/25/72/191262572.db2.gz YJSRKZKTXKDAPV-PWSUYJOCSA-N 1 2 229.320 0.827 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000638897757 353060578 /nfs/dbraw/zinc/06/05/78/353060578.db2.gz LTIBPBBWTQTGET-SECBINFHSA-N 1 2 235.287 0.836 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334414123 353097022 /nfs/dbraw/zinc/09/70/22/353097022.db2.gz MFRQOANEWXFGHR-KCJUWKMLSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000334414123 353097024 /nfs/dbraw/zinc/09/70/24/353097024.db2.gz MFRQOANEWXFGHR-KCJUWKMLSA-N 1 2 245.298 0.655 20 0 BCADLO C[C@H](CCCCO)NC(=O)Cn1cc[nH+]c1 ZINC000398645220 353122919 /nfs/dbraw/zinc/12/29/19/353122919.db2.gz ZKLCVBIXXNQGMT-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CCCOCC1 ZINC000059950922 188012492 /nfs/dbraw/zinc/01/24/92/188012492.db2.gz NIYHKCNUTSVYRC-UHFFFAOYSA-N 1 2 222.288 0.930 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CCCOCC1 ZINC000059950922 188012494 /nfs/dbraw/zinc/01/24/94/188012494.db2.gz NIYHKCNUTSVYRC-UHFFFAOYSA-N 1 2 222.288 0.930 20 0 BCADLO CC(=O)NCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263721982 188020849 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QNBAGHCOAVZJSK-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000192709285 353563837 /nfs/dbraw/zinc/56/38/37/353563837.db2.gz CLUKUUPBKKBEND-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC2CC(O)C2)n1 ZINC000192816012 353570099 /nfs/dbraw/zinc/57/00/99/353570099.db2.gz XAEAYUMGEHHWPG-UHFFFAOYSA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC2CC(O)C2)n1 ZINC000192816012 353570102 /nfs/dbraw/zinc/57/01/02/353570102.db2.gz XAEAYUMGEHHWPG-UHFFFAOYSA-N 1 2 240.307 0.338 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCCn1cccn1 ZINC000343313810 353624392 /nfs/dbraw/zinc/62/43/92/353624392.db2.gz TUNMBTQOPOHULN-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000343313360 353627502 /nfs/dbraw/zinc/62/75/02/353627502.db2.gz RWKNIILBMFHRBL-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)C(N)=O ZINC000639107750 353639605 /nfs/dbraw/zinc/63/96/05/353639605.db2.gz CRZOTSZQZXQMPX-ZCFIWIBFSA-N 1 2 209.249 0.515 20 0 BCADLO C[NH+]1CCN(C(=O)C2(O)CCCC2)CC1 ZINC000334515331 353609659 /nfs/dbraw/zinc/60/96/59/353609659.db2.gz CAUXLQDCLNIHSE-UHFFFAOYSA-N 1 2 212.293 0.066 20 0 BCADLO Cc1cnc(C[NH2+][C@]2(CCO)CCOC2)o1 ZINC000639109144 353662276 /nfs/dbraw/zinc/66/22/76/353662276.db2.gz QPQKUHGUAOOKRS-LLVKDONJSA-N 1 2 226.276 0.614 20 0 BCADLO Cn1nnc(C[N@H+](C)CCC2CCOCC2)n1 ZINC000194440554 353662849 /nfs/dbraw/zinc/66/28/49/353662849.db2.gz HMOISLSGJLZMOL-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO Cn1nnc(C[N@@H+](C)CCC2CCOCC2)n1 ZINC000194440554 353662852 /nfs/dbraw/zinc/66/28/52/353662852.db2.gz HMOISLSGJLZMOL-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1cnn(C)c1 ZINC000227635406 363245699 /nfs/dbraw/zinc/24/56/99/363245699.db2.gz IWWSNDZCKSLVFJ-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1cnn(C)c1 ZINC000227635406 363245703 /nfs/dbraw/zinc/24/57/03/363245703.db2.gz IWWSNDZCKSLVFJ-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO Fc1cccc(NCC[NH+]2CCOCC2)n1 ZINC000040711953 181002201 /nfs/dbraw/zinc/00/22/01/181002201.db2.gz JFSSFDJZRBIXPZ-UHFFFAOYSA-N 1 2 225.267 0.965 20 0 BCADLO CO[C@@]1(C[N@H+](CCO)CC(F)F)CCOC1 ZINC000639123033 353781685 /nfs/dbraw/zinc/78/16/85/353781685.db2.gz IFRVPRPWUJYHBW-SNVBAGLBSA-N 1 2 239.262 0.351 20 0 BCADLO CO[C@@]1(C[N@@H+](CCO)CC(F)F)CCOC1 ZINC000639123033 353781688 /nfs/dbraw/zinc/78/16/88/353781688.db2.gz IFRVPRPWUJYHBW-SNVBAGLBSA-N 1 2 239.262 0.351 20 0 BCADLO Cc1nc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000343339361 353796256 /nfs/dbraw/zinc/79/62/56/353796256.db2.gz CQCHKFPYZJDSEV-APPZFPTMSA-N 1 2 237.307 0.385 20 0 BCADLO Cc1nc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000343339361 353796259 /nfs/dbraw/zinc/79/62/59/353796259.db2.gz CQCHKFPYZJDSEV-APPZFPTMSA-N 1 2 237.307 0.385 20 0 BCADLO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000391950879 353813849 /nfs/dbraw/zinc/81/38/49/353813849.db2.gz HJUWTKWRMHFVJL-VIFPVBQESA-N 1 2 239.323 0.380 20 0 BCADLO COc1ccnc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000343427924 353883092 /nfs/dbraw/zinc/88/30/92/353883092.db2.gz KXHPMCUVOKWRDJ-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1CN(CC(F)F)C1 ZINC000343432013 353884692 /nfs/dbraw/zinc/88/46/92/353884692.db2.gz RZILXVYDUPLVLO-UHFFFAOYSA-N 1 2 244.245 0.223 20 0 BCADLO Cc1cc(NC(=O)N2CC(O)(C3CC3)C2)cc[nH+]1 ZINC000334521061 353884987 /nfs/dbraw/zinc/88/49/87/353884987.db2.gz LKCCRHRTFIUODA-UHFFFAOYSA-N 1 2 247.298 0.801 20 0 BCADLO CCn1ncnc1CNc1ccc(CO)c[nH+]1 ZINC000639133110 353842837 /nfs/dbraw/zinc/84/28/37/353842837.db2.gz YDROFUKGNPVKJX-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000639139286 353855439 /nfs/dbraw/zinc/85/54/39/353855439.db2.gz HYNVNQVVSFZWMP-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000639139286 353855440 /nfs/dbraw/zinc/85/54/40/353855440.db2.gz HYNVNQVVSFZWMP-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CCN(CC1CC1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000343486121 353906926 /nfs/dbraw/zinc/90/69/26/353906926.db2.gz GFFIIOGXYQTFKI-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CC[C@H](OC)C2)n1 ZINC000343542015 353917392 /nfs/dbraw/zinc/91/73/92/353917392.db2.gz TYBWEIZWNPFKGA-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CC[C@H](OC)C2)n1 ZINC000343542015 353917395 /nfs/dbraw/zinc/91/73/95/353917395.db2.gz TYBWEIZWNPFKGA-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000343593205 353942385 /nfs/dbraw/zinc/94/23/85/353942385.db2.gz VKFMQAVAAXSZKD-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000343593205 353942387 /nfs/dbraw/zinc/94/23/87/353942387.db2.gz VKFMQAVAAXSZKD-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCSC[C@H]1CO ZINC000343771797 353984512 /nfs/dbraw/zinc/98/45/12/353984512.db2.gz RSPMDSTUFYDKQR-SNVBAGLBSA-N 1 2 241.360 0.813 20 0 BCADLO CCn1ccnc1C[N@H+]1CCSC[C@H]1CO ZINC000343771797 353984513 /nfs/dbraw/zinc/98/45/13/353984513.db2.gz RSPMDSTUFYDKQR-SNVBAGLBSA-N 1 2 241.360 0.813 20 0 BCADLO CCn1cc[nH+]c1CN1CCSC[C@H]1CO ZINC000343771797 353984515 /nfs/dbraw/zinc/98/45/15/353984515.db2.gz RSPMDSTUFYDKQR-SNVBAGLBSA-N 1 2 241.360 0.813 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334551945 353992675 /nfs/dbraw/zinc/99/26/75/353992675.db2.gz CBIWMHHURMSSBB-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334551945 353992677 /nfs/dbraw/zinc/99/26/77/353992677.db2.gz CBIWMHHURMSSBB-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)oc1C ZINC000053441759 363291840 /nfs/dbraw/zinc/29/18/40/363291840.db2.gz AGKHYMPIPSEZSN-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)oc1C ZINC000053441759 363291846 /nfs/dbraw/zinc/29/18/46/363291846.db2.gz AGKHYMPIPSEZSN-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@H](C)OC ZINC000343858667 354023996 /nfs/dbraw/zinc/02/39/96/354023996.db2.gz BKWPRBGJWYUARM-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@H](C)OC ZINC000343858667 354023999 /nfs/dbraw/zinc/02/39/99/354023999.db2.gz BKWPRBGJWYUARM-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@H]1Cc1ccccc1 ZINC000343905726 354035886 /nfs/dbraw/zinc/03/58/86/354035886.db2.gz KLNNZKSDGVFNKW-ZDUSSCGKSA-N 1 2 248.326 0.412 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@H]1Cc1ccccc1 ZINC000343905726 354035890 /nfs/dbraw/zinc/03/58/90/354035890.db2.gz KLNNZKSDGVFNKW-ZDUSSCGKSA-N 1 2 248.326 0.412 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000343948398 354068691 /nfs/dbraw/zinc/06/86/91/354068691.db2.gz VGAQWQOTQNIEPV-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000343948398 354068693 /nfs/dbraw/zinc/06/86/93/354068693.db2.gz VGAQWQOTQNIEPV-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)O ZINC000334566987 354088902 /nfs/dbraw/zinc/08/89/02/354088902.db2.gz RWABDYATIRCYBE-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)O ZINC000334566987 354088905 /nfs/dbraw/zinc/08/89/05/354088905.db2.gz RWABDYATIRCYBE-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cncc(OC)c1 ZINC000343942851 354050191 /nfs/dbraw/zinc/05/01/91/354050191.db2.gz WYFCFWNYCYIRJU-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cncc(OC)c1 ZINC000343942851 354050193 /nfs/dbraw/zinc/05/01/93/354050193.db2.gz WYFCFWNYCYIRJU-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344076934 354134407 /nfs/dbraw/zinc/13/44/07/354134407.db2.gz WHEWZJUPVKHRNL-MRVPVSSYSA-N 1 2 240.307 0.461 20 0 BCADLO Cc1nc(N2CC[C@@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000230651455 363316208 /nfs/dbraw/zinc/31/62/08/363316208.db2.gz DOFDOKQNQCPKBU-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000344083913 354136254 /nfs/dbraw/zinc/13/62/54/354136254.db2.gz CDMIQSIRCZXFJS-SECBINFHSA-N 1 2 235.287 0.541 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCn1cccn1 ZINC000344163990 354169018 /nfs/dbraw/zinc/16/90/18/354169018.db2.gz CNNDKEHNRZAGMR-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CSC1 ZINC000630087120 363335939 /nfs/dbraw/zinc/33/59/39/363335939.db2.gz AUPWXUVTABTARV-JTQLQIEISA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1CSC1 ZINC000630087120 363335943 /nfs/dbraw/zinc/33/59/43/363335943.db2.gz AUPWXUVTABTARV-JTQLQIEISA-N 1 2 244.360 0.186 20 0 BCADLO CCOCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000344178431 354174887 /nfs/dbraw/zinc/17/48/87/354174887.db2.gz LSKYUDJJYVLDBE-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127256 354146546 /nfs/dbraw/zinc/14/65/46/354146546.db2.gz JIJNENVVQXERSX-JGVFFNPUSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127256 354146549 /nfs/dbraw/zinc/14/65/49/354146549.db2.gz JIJNENVVQXERSX-JGVFFNPUSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ncnn1C ZINC000344189567 354178917 /nfs/dbraw/zinc/17/89/17/354178917.db2.gz XFRZHODDIYLZCH-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ncnn1C ZINC000344189567 354178919 /nfs/dbraw/zinc/17/89/19/354178919.db2.gz XFRZHODDIYLZCH-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000366862631 354243620 /nfs/dbraw/zinc/24/36/20/354243620.db2.gz HCOYJYMREBIGCZ-LLVKDONJSA-N 1 2 248.330 0.604 20 0 BCADLO Cc1cc(NC(=O)c2ccc(C(N)=O)o2)cc[nH+]1 ZINC000334592913 354248355 /nfs/dbraw/zinc/24/83/55/354248355.db2.gz CMFFBFHWLBEBPL-UHFFFAOYSA-N 1 2 245.238 0.756 20 0 BCADLO Cc1[nH]c2ccc(NC(=O)CC(N)=O)cc2[nH+]1 ZINC000344332068 354228579 /nfs/dbraw/zinc/22/85/79/354228579.db2.gz RMBAPNGPABOWQB-UHFFFAOYSA-N 1 2 232.243 0.685 20 0 BCADLO CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000334596581 354229938 /nfs/dbraw/zinc/22/99/38/354229938.db2.gz IOHFKSAVLHWEJG-ZCFIWIBFSA-N 1 2 207.224 0.160 20 0 BCADLO CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334612702 354296822 /nfs/dbraw/zinc/29/68/22/354296822.db2.gz GETSPMUUXGIORH-VHSXEESVSA-N 1 2 227.308 0.121 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000577961100 366145040 /nfs/dbraw/zinc/14/50/40/366145040.db2.gz JPQKNVLATKSHDU-UHFFFAOYSA-N 1 2 224.304 0.710 20 0 BCADLO CCNC(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000577961100 366145045 /nfs/dbraw/zinc/14/50/45/366145045.db2.gz JPQKNVLATKSHDU-UHFFFAOYSA-N 1 2 224.304 0.710 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000344444563 354275208 /nfs/dbraw/zinc/27/52/08/354275208.db2.gz YUTCKGCEVYAITL-NSHDSACASA-N 1 2 225.292 0.999 20 0 BCADLO Cc1cn2c([nH+]1)[C@@H](CN1C(=O)CNC1=O)CCC2 ZINC000348936809 366148315 /nfs/dbraw/zinc/14/83/15/366148315.db2.gz XTXYTEGDGWCFFH-SECBINFHSA-N 1 2 248.286 0.621 20 0 BCADLO Cc1nc(C)c(C(=O)NCCn2cc[nH+]c2)o1 ZINC000344594665 354322850 /nfs/dbraw/zinc/32/28/50/354322850.db2.gz DEYDAYVKXJZIIU-UHFFFAOYSA-N 1 2 234.259 0.918 20 0 BCADLO CCO[C@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344769576 354358638 /nfs/dbraw/zinc/35/86/38/354358638.db2.gz DRZYIRMRRBQPCX-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCCC[N@H+](CCOC)Cc1nnnn1C ZINC000344921644 354387038 /nfs/dbraw/zinc/38/70/38/354387038.db2.gz BOVSZULGLBRCIP-UHFFFAOYSA-N 1 2 227.312 0.459 20 0 BCADLO CCCC[N@@H+](CCOC)Cc1nnnn1C ZINC000344921644 354387041 /nfs/dbraw/zinc/38/70/41/354387041.db2.gz BOVSZULGLBRCIP-UHFFFAOYSA-N 1 2 227.312 0.459 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000334624902 354364158 /nfs/dbraw/zinc/36/41/58/354364158.db2.gz PMEUBYCLLZXMEG-LLVKDONJSA-N 1 2 245.298 0.656 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000334624902 354364161 /nfs/dbraw/zinc/36/41/61/354364161.db2.gz PMEUBYCLLZXMEG-LLVKDONJSA-N 1 2 245.298 0.656 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCC1(F)F ZINC000334669668 354410201 /nfs/dbraw/zinc/41/02/01/354410201.db2.gz QHJFBRNILRJBBN-SSDOTTSWSA-N 1 2 246.261 0.586 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCC1(F)F ZINC000334669668 354410205 /nfs/dbraw/zinc/41/02/05/354410205.db2.gz QHJFBRNILRJBBN-SSDOTTSWSA-N 1 2 246.261 0.586 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335921705 134007324 /nfs/dbraw/zinc/00/73/24/134007324.db2.gz QHJMRJAGOKNYBZ-QMMMGPOBSA-N 1 2 236.319 0.689 20 0 BCADLO C[C@@H](O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000345031347 354439405 /nfs/dbraw/zinc/43/94/05/354439405.db2.gz ATKSDIUJVXHTCI-SNVBAGLBSA-N 1 2 249.314 0.547 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335921705 134007325 /nfs/dbraw/zinc/00/73/25/134007325.db2.gz QHJMRJAGOKNYBZ-QMMMGPOBSA-N 1 2 236.319 0.689 20 0 BCADLO CN(C)c1cccnc1C[NH2+]Cc1ncnn1C ZINC000639191144 354494181 /nfs/dbraw/zinc/49/41/81/354494181.db2.gz SZAHHEOPOSIGDQ-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CC(C)OC1CC([N@@H+]2CCN(C)C(=O)C2)C1 ZINC000334705618 354499257 /nfs/dbraw/zinc/49/92/57/354499257.db2.gz NKCJWWDVDHCWQV-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)OC1CC([N@H+]2CCN(C)C(=O)C2)C1 ZINC000334705618 354499260 /nfs/dbraw/zinc/49/92/60/354499260.db2.gz NKCJWWDVDHCWQV-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CCn1nccc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334711142 354507619 /nfs/dbraw/zinc/50/76/19/354507619.db2.gz XEJDSLLCUIXWEF-NSHDSACASA-N 1 2 248.330 0.710 20 0 BCADLO CCn1nccc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334711142 354507622 /nfs/dbraw/zinc/50/76/22/354507622.db2.gz XEJDSLLCUIXWEF-NSHDSACASA-N 1 2 248.330 0.710 20 0 BCADLO C[C@@H]1[N@H+](CC(=O)N2CCC2)CCOC1(C)C ZINC000334799310 354554852 /nfs/dbraw/zinc/55/48/52/354554852.db2.gz VFHFKROELDRAPX-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1[N@@H+](CC(=O)N2CCC2)CCOC1(C)C ZINC000334799310 354554855 /nfs/dbraw/zinc/55/48/55/354554855.db2.gz VFHFKROELDRAPX-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@@H](F)C2)CCN1C1CC1 ZINC000334806848 354563175 /nfs/dbraw/zinc/56/31/75/354563175.db2.gz BEVBEZRUUWBXAH-PSASIEDQSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@@H](F)C2)CCN1C1CC1 ZINC000334806848 354563176 /nfs/dbraw/zinc/56/31/76/354563176.db2.gz BEVBEZRUUWBXAH-PSASIEDQSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334815361 354573084 /nfs/dbraw/zinc/57/30/84/354573084.db2.gz XQJDJLWXTWLVTH-NEPJUHHUSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334815361 354573090 /nfs/dbraw/zinc/57/30/90/354573090.db2.gz XQJDJLWXTWLVTH-NEPJUHHUSA-N 1 2 238.331 0.766 20 0 BCADLO O=S(=O)(CC1CC1)N1CC[NH+](C2CC2)CC1 ZINC000334768853 354590279 /nfs/dbraw/zinc/59/02/79/354590279.db2.gz IRUGHYGAAVNQQV-UHFFFAOYSA-N 1 2 244.360 0.506 20 0 BCADLO Cc1cnn(CCC(=O)Nc2cc[nH+]cc2O)c1 ZINC000345357289 354629662 /nfs/dbraw/zinc/62/96/62/354629662.db2.gz DRMCOVNMOQRZPP-UHFFFAOYSA-N 1 2 246.270 0.743 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@H]1F ZINC000335093436 354630002 /nfs/dbraw/zinc/63/00/02/354630002.db2.gz OWRMYNAYQDSHTP-GMSGAONNSA-N 1 2 211.240 0.784 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCOC1 ZINC000345377953 354645716 /nfs/dbraw/zinc/64/57/16/354645716.db2.gz JFJGGIGQDGRIAT-MRVPVSSYSA-N 1 2 222.244 0.574 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccns1 ZINC000639204621 354647221 /nfs/dbraw/zinc/64/72/21/354647221.db2.gz UKSRZIXQEDWDOL-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccns1 ZINC000639204621 354647224 /nfs/dbraw/zinc/64/72/24/354647224.db2.gz UKSRZIXQEDWDOL-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO CCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345420545 354653237 /nfs/dbraw/zinc/65/32/37/354653237.db2.gz WQSYYMCTCAHMTK-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO COCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345418493 354653443 /nfs/dbraw/zinc/65/34/43/354653443.db2.gz SNSPREIJTQBTGD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnns1 ZINC000345374631 354656389 /nfs/dbraw/zinc/65/63/89/354656389.db2.gz KUOOSFADAPQSEL-UHFFFAOYSA-N 1 2 222.229 0.313 20 0 BCADLO CCC1CN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000335113297 354701049 /nfs/dbraw/zinc/70/10/49/354701049.db2.gz MMKDKQXDGXZXHJ-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CCC1CN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000335113297 354701050 /nfs/dbraw/zinc/70/10/50/354701050.db2.gz MMKDKQXDGXZXHJ-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)CCc1[nH]cc[nH+]1 ZINC000345612392 354714730 /nfs/dbraw/zinc/71/47/30/354714730.db2.gz OPBBZBLUHWFTNF-UHFFFAOYSA-N 1 2 238.291 0.065 20 0 BCADLO CC(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345633148 354719326 /nfs/dbraw/zinc/71/93/26/354719326.db2.gz BSWZHRMCDZDXPV-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](COC)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345746070 354750472 /nfs/dbraw/zinc/75/04/72/354750472.db2.gz VEUNOOGJFCOTOJ-SFYZADRCSA-N 1 2 236.262 0.525 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345770150 354757223 /nfs/dbraw/zinc/75/72/23/354757223.db2.gz WCFZAHLTIMCOBM-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000345770150 354757224 /nfs/dbraw/zinc/75/72/24/354757224.db2.gz WCFZAHLTIMCOBM-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCOCC(F)F ZINC000345775755 354759514 /nfs/dbraw/zinc/75/95/14/354759514.db2.gz REPQSZUSDWAMOV-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@H]1COCC[N@H+]1CCOCC(F)F ZINC000345775755 354759515 /nfs/dbraw/zinc/75/95/15/354759515.db2.gz REPQSZUSDWAMOV-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)[nH]1 ZINC000335122475 354761712 /nfs/dbraw/zinc/76/17/12/354761712.db2.gz FMDSOAKMLSYELW-RKDXNWHRSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)[nH]1 ZINC000335122475 354761715 /nfs/dbraw/zinc/76/17/15/354761715.db2.gz FMDSOAKMLSYELW-RKDXNWHRSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)cnn1 ZINC000345781204 354763079 /nfs/dbraw/zinc/76/30/79/354763079.db2.gz YRWTZXXVIGRXEM-UHFFFAOYSA-N 1 2 230.227 0.560 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CC1(C)CC1 ZINC000345795896 354772000 /nfs/dbraw/zinc/77/20/00/354772000.db2.gz VVHWPBHCQQEELJ-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000345885783 354797787 /nfs/dbraw/zinc/79/77/87/354797787.db2.gz RGIPLXARRQZUHS-AEJSXWLSSA-N 1 2 242.319 0.442 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000345895698 354801262 /nfs/dbraw/zinc/80/12/62/354801262.db2.gz YYSAMBDVSCCWRA-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000345895698 354801264 /nfs/dbraw/zinc/80/12/64/354801264.db2.gz YYSAMBDVSCCWRA-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@@H](NCc1c[nH+]c(N)nc1N)C(F)F ZINC000639214995 354810721 /nfs/dbraw/zinc/81/07/21/354810721.db2.gz UWVPITICYUKXNV-ZCFIWIBFSA-N 1 2 231.250 0.435 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCCN1)CC2 ZINC000627169147 363416186 /nfs/dbraw/zinc/41/61/86/363416186.db2.gz DWUQSURTZDUEME-LLVKDONJSA-N 1 2 248.330 0.881 20 0 BCADLO O[C@H]1C[N@H+](Cc2ncnn2CCF)CC12CC2 ZINC000366924979 354835557 /nfs/dbraw/zinc/83/55/57/354835557.db2.gz ZILMBRMYJLNLJD-VIFPVBQESA-N 1 2 240.282 0.204 20 0 BCADLO O[C@H]1C[N@@H+](Cc2ncnn2CCF)CC12CC2 ZINC000366924979 354835558 /nfs/dbraw/zinc/83/55/58/354835558.db2.gz ZILMBRMYJLNLJD-VIFPVBQESA-N 1 2 240.282 0.204 20 0 BCADLO CNC(=O)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000234344135 363419749 /nfs/dbraw/zinc/41/97/49/363419749.db2.gz IFEJONFVJRFLAG-SCSAIBSYSA-N 1 2 229.671 0.259 20 0 BCADLO CNC(=O)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000234344135 363419754 /nfs/dbraw/zinc/41/97/54/363419754.db2.gz IFEJONFVJRFLAG-SCSAIBSYSA-N 1 2 229.671 0.259 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)C)C1CC1 ZINC000234559163 363423572 /nfs/dbraw/zinc/42/35/72/363423572.db2.gz ZSMUCCOYCAJDFZ-SNVBAGLBSA-N 1 2 228.292 0.006 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000233655494 363404867 /nfs/dbraw/zinc/40/48/67/363404867.db2.gz XKQDYTXECGHHNQ-KOLCDFICSA-N 1 2 213.277 0.707 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000233658144 363405074 /nfs/dbraw/zinc/40/50/74/363405074.db2.gz XKQDYTXECGHHNQ-ONGXEEELSA-N 1 2 213.277 0.707 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CCNC(=O)[C@@H]1C ZINC000335145603 354855335 /nfs/dbraw/zinc/85/53/35/354855335.db2.gz DPUOSTQRBDSJHO-JTQLQIEISA-N 1 2 236.319 0.784 20 0 BCADLO CCONC(=O)C1(COC)CC[NH2+]CC1 ZINC000233767055 363407305 /nfs/dbraw/zinc/40/73/05/363407305.db2.gz GVFFVZCGMYXGAN-UHFFFAOYSA-N 1 2 216.281 0.070 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nncs1 ZINC000530185286 324516549 /nfs/dbraw/zinc/51/65/49/324516549.db2.gz WJCQGPRXJUSTRP-ZETCQYMHSA-N 1 2 237.288 0.553 20 0 BCADLO CC(C)(C(=O)NC[C@@H]1CCOC1)c1c[nH]c[nH+]1 ZINC000346329744 354898338 /nfs/dbraw/zinc/89/83/38/354898338.db2.gz LCNKESMIPYIXDC-VIFPVBQESA-N 1 2 237.303 0.840 20 0 BCADLO O=C(NC[C@H]1CCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346332861 354899085 /nfs/dbraw/zinc/89/90/85/354899085.db2.gz NGWMLBNMEIYQHQ-NXEZZACHSA-N 1 2 249.314 0.982 20 0 BCADLO O=C(NC[C@H]1CCOC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000346332861 354899087 /nfs/dbraw/zinc/89/90/87/354899087.db2.gz NGWMLBNMEIYQHQ-NXEZZACHSA-N 1 2 249.314 0.982 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)O ZINC000346392839 354908527 /nfs/dbraw/zinc/90/85/27/354908527.db2.gz UWNLTVXSWAEMAA-UHFFFAOYSA-N 1 2 211.265 0.148 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)O ZINC000346392839 354908528 /nfs/dbraw/zinc/90/85/28/354908528.db2.gz UWNLTVXSWAEMAA-UHFFFAOYSA-N 1 2 211.265 0.148 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+][C@H]1[C@@H]1CCOC1 ZINC000335162165 354914372 /nfs/dbraw/zinc/91/43/72/354914372.db2.gz PLJITBSUAZJDKA-RKDXNWHRSA-N 1 2 212.293 0.579 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)c1cnn(C)c1 ZINC000346438547 354936815 /nfs/dbraw/zinc/93/68/15/354936815.db2.gz QOZBGADBNRYTRP-UHFFFAOYSA-N 1 2 233.275 0.657 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335207542 355043674 /nfs/dbraw/zinc/04/36/74/355043674.db2.gz WDIXIOMLOXQTJG-IUCAKERBSA-N 1 2 215.272 0.444 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335207542 355043678 /nfs/dbraw/zinc/04/36/78/355043678.db2.gz WDIXIOMLOXQTJG-IUCAKERBSA-N 1 2 215.272 0.444 20 0 BCADLO Cc1cc[nH+]cc1N1CCN(C(N)=O)CC1 ZINC000335191055 355023640 /nfs/dbraw/zinc/02/36/40/355023640.db2.gz OCJPWLNREPSJOB-UHFFFAOYSA-N 1 2 220.276 0.591 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335192519 355025431 /nfs/dbraw/zinc/02/54/31/355025431.db2.gz JGAXJLSCZJNRQV-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335192519 355025433 /nfs/dbraw/zinc/02/54/33/355025433.db2.gz JGAXJLSCZJNRQV-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO CC[NH+](CC)Cc1nc(CCNC(C)=O)no1 ZINC000346787524 355116636 /nfs/dbraw/zinc/11/66/36/355116636.db2.gz FQWYCTGVJWZCCT-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000352000797 134034159 /nfs/dbraw/zinc/03/41/59/134034159.db2.gz ABOJCXUZZMOLQD-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000352000797 134034160 /nfs/dbraw/zinc/03/41/60/134034160.db2.gz ABOJCXUZZMOLQD-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC(=O)C1CC1 ZINC000346832982 355129405 /nfs/dbraw/zinc/12/94/05/355129405.db2.gz UFQIBSYSWIILCZ-UHFFFAOYSA-N 1 2 221.260 0.438 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000346842000 355133252 /nfs/dbraw/zinc/13/32/52/355133252.db2.gz USTUTKDIQZPFHI-DTWKUNHWSA-N 1 2 238.291 0.371 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000346842000 355133255 /nfs/dbraw/zinc/13/32/55/355133255.db2.gz USTUTKDIQZPFHI-DTWKUNHWSA-N 1 2 238.291 0.371 20 0 BCADLO O=C(COc1ccc(O)cc1)NCc1[nH]cc[nH+]1 ZINC000346916952 355153492 /nfs/dbraw/zinc/15/34/92/355153492.db2.gz MYDNCDAUHKCGAT-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)OC)CCO1 ZINC000347612298 355234836 /nfs/dbraw/zinc/23/48/36/355234836.db2.gz QIPVLYWMIKEPGQ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)OC)CCO1 ZINC000347612298 355234840 /nfs/dbraw/zinc/23/48/40/355234840.db2.gz QIPVLYWMIKEPGQ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@](C)(C[NH+]1CC(S(C)(=O)=O)C1)C1CC1 ZINC000639244580 355239228 /nfs/dbraw/zinc/23/92/28/355239228.db2.gz PEWACCISWOBUPL-LLVKDONJSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413024065 191343443 /nfs/dbraw/zinc/34/34/43/191343443.db2.gz LKNPVQVBHBJNFE-ZETCQYMHSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413024065 191343445 /nfs/dbraw/zinc/34/34/45/191343445.db2.gz LKNPVQVBHBJNFE-ZETCQYMHSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@@H](C(=O)N(C)[C@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000335289333 355260919 /nfs/dbraw/zinc/26/09/19/355260919.db2.gz ARLULHNGTSOWKH-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000413492056 191389061 /nfs/dbraw/zinc/38/90/61/191389061.db2.gz JCPMQSJDXZZZFX-NXEZZACHSA-N 1 2 225.292 0.719 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000413491997 191389488 /nfs/dbraw/zinc/38/94/88/191389488.db2.gz IRBCLJMKSVFWRV-UWVGGRQHSA-N 1 2 225.292 0.719 20 0 BCADLO COc1ncc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)s1 ZINC000639245999 355274243 /nfs/dbraw/zinc/27/42/43/355274243.db2.gz CPDPMKCBZBEVOQ-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO COc1ncc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)s1 ZINC000639245999 355274245 /nfs/dbraw/zinc/27/42/45/355274245.db2.gz CPDPMKCBZBEVOQ-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO C[C@H](O)CNc1cc(N[C@H]2CCOC2)nc[nH+]1 ZINC000413213079 191364354 /nfs/dbraw/zinc/36/43/54/191364354.db2.gz ZEGUHMXFVFLICP-IUCAKERBSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@H](O)CNc1cc(N[C@H]2CCOC2)[nH+]cn1 ZINC000413213079 191364357 /nfs/dbraw/zinc/36/43/57/191364357.db2.gz ZEGUHMXFVFLICP-IUCAKERBSA-N 1 2 238.291 0.470 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)[C@H]1CCCOC1 ZINC000347603557 355253792 /nfs/dbraw/zinc/25/37/92/355253792.db2.gz DKKGJJALQCVBNE-QWRGUYRKSA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)C)CCO1 ZINC000347666463 355256667 /nfs/dbraw/zinc/25/66/67/355256667.db2.gz YQJUMDSLYSNEKV-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)C)CCO1 ZINC000347666463 355256670 /nfs/dbraw/zinc/25/66/70/355256670.db2.gz YQJUMDSLYSNEKV-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H]([NH2+]Cc1nn(C)c(=O)[nH]1)c1cccc(O)c1 ZINC000347668053 355257249 /nfs/dbraw/zinc/25/72/49/355257249.db2.gz FGYSPWBYSSWIEI-QMMMGPOBSA-N 1 2 248.286 0.665 20 0 BCADLO C[C@@H]([NH2+]Cc1nn(C)c(=O)[nH]1)c1cccc(O)c1 ZINC000347668051 355257689 /nfs/dbraw/zinc/25/76/89/355257689.db2.gz FGYSPWBYSSWIEI-MRVPVSSYSA-N 1 2 248.286 0.665 20 0 BCADLO CCn1ncnc1C[NH+]1CC2(C1)CCCOC2 ZINC000639252636 355289698 /nfs/dbraw/zinc/28/96/98/355289698.db2.gz NRRODAAMVDIRJY-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COCc1ccc(C[NH+]2CC(C)(O)C2)o1 ZINC000639253768 355293223 /nfs/dbraw/zinc/29/32/23/355293223.db2.gz QPMDKCHVMHKOGD-UHFFFAOYSA-N 1 2 211.261 0.993 20 0 BCADLO Cn1ncnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639258176 355304876 /nfs/dbraw/zinc/30/48/76/355304876.db2.gz AWBGJZCZPHGCIM-YUMQZZPRSA-N 1 2 210.306 0.505 20 0 BCADLO Cn1ncnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639258176 355304877 /nfs/dbraw/zinc/30/48/77/355304877.db2.gz AWBGJZCZPHGCIM-YUMQZZPRSA-N 1 2 210.306 0.505 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2snnc2C)C1 ZINC000639251230 355284060 /nfs/dbraw/zinc/28/40/60/355284060.db2.gz KTFBONVTQDDBDW-UHFFFAOYSA-N 1 2 240.332 0.414 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(O)(C(F)F)C1 ZINC000583510144 355347551 /nfs/dbraw/zinc/34/75/51/355347551.db2.gz IHYGGXSEPWIGEN-UHFFFAOYSA-N 1 2 229.230 0.910 20 0 BCADLO COC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000623239093 355390908 /nfs/dbraw/zinc/39/09/08/355390908.db2.gz PGTGZZFIGPSAGK-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO COC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000623239094 355390912 /nfs/dbraw/zinc/39/09/12/355390912.db2.gz PGTGZZFIGPSAGK-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639289002 355407549 /nfs/dbraw/zinc/40/75/49/355407549.db2.gz VJTHWYZWGSRWBM-MWLCHTKSSA-N 1 2 248.330 0.991 20 0 BCADLO C[C@H]1CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000349680962 355410016 /nfs/dbraw/zinc/41/00/16/355410016.db2.gz TURGEAXTMIBKNS-QWRGUYRKSA-N 1 2 241.335 0.416 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)NCc1[nH+]ccn1C ZINC000349734409 355425917 /nfs/dbraw/zinc/42/59/17/355425917.db2.gz LYYKPJVGHIQAKM-BDAKNGLRSA-N 1 2 238.291 0.085 20 0 BCADLO CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000335812924 355500250 /nfs/dbraw/zinc/50/02/50/355500250.db2.gz GHTCZRNHLPKEKK-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000335812924 355500254 /nfs/dbraw/zinc/50/02/54/355500254.db2.gz GHTCZRNHLPKEKK-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000335808764 355481886 /nfs/dbraw/zinc/48/18/86/355481886.db2.gz XUBVQWZQZXDNGC-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)NCC2CC2)n1 ZINC000349952988 355535198 /nfs/dbraw/zinc/53/51/98/355535198.db2.gz SJZIPPDJQFYSHT-ZETCQYMHSA-N 1 2 238.291 0.555 20 0 BCADLO c1cn(CCc2nc(-c3ncccn3)no2)c[nH+]1 ZINC000349862226 355511905 /nfs/dbraw/zinc/51/19/05/355511905.db2.gz XQCQNZOPSKSYBY-UHFFFAOYSA-N 1 2 242.242 0.966 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COC(F)F ZINC000349888357 355519421 /nfs/dbraw/zinc/51/94/21/355519421.db2.gz GVQSHRXSYXIKDM-ZETCQYMHSA-N 1 2 233.218 0.627 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CCOC(C)C ZINC000349899895 355522070 /nfs/dbraw/zinc/52/20/70/355522070.db2.gz WUMKHWJGJIJBLS-JTQLQIEISA-N 1 2 247.335 0.704 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)nn1C ZINC000349923641 355528430 /nfs/dbraw/zinc/52/84/30/355528430.db2.gz YKORNURXTOCGCD-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)nn1C ZINC000349923641 355528433 /nfs/dbraw/zinc/52/84/33/355528433.db2.gz YKORNURXTOCGCD-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO CO[C@@]1(C[N@H+](C)Cc2nc(C)no2)CCOC1 ZINC000639302055 355645241 /nfs/dbraw/zinc/64/52/41/355645241.db2.gz KAHGQXXOPRTHNX-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@@]1(C[N@@H+](C)Cc2nc(C)no2)CCOC1 ZINC000639302055 355645245 /nfs/dbraw/zinc/64/52/45/355645245.db2.gz KAHGQXXOPRTHNX-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000639302667 355647113 /nfs/dbraw/zinc/64/71/13/355647113.db2.gz HTKGCYXGHHSMRY-VIFPVBQESA-N 1 2 221.260 0.530 20 0 BCADLO Cc1nccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000350219021 355650799 /nfs/dbraw/zinc/65/07/99/355650799.db2.gz KQFBVLIAGUAGPU-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO Cc1nccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000350219021 355650803 /nfs/dbraw/zinc/65/08/03/355650803.db2.gz KQFBVLIAGUAGPU-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO CCC[C@@H](C[NH2+]Cc1nc(COC)n[nH]1)OC ZINC000639308999 355664813 /nfs/dbraw/zinc/66/48/13/355664813.db2.gz JDMATSKMWSXTGD-VIFPVBQESA-N 1 2 242.323 0.856 20 0 BCADLO CCC[C@@H](C[NH2+]Cc1nnc(COC)[nH]1)OC ZINC000639308999 355664816 /nfs/dbraw/zinc/66/48/16/355664816.db2.gz JDMATSKMWSXTGD-VIFPVBQESA-N 1 2 242.323 0.856 20 0 BCADLO CCc1nocc1C[N@@H+]1CCNC(=O)CC1 ZINC000335866442 355630798 /nfs/dbraw/zinc/63/07/98/355630798.db2.gz MDWZLVVNKZTTHT-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO CCc1nocc1C[N@H+]1CCNC(=O)CC1 ZINC000335866442 355630801 /nfs/dbraw/zinc/63/08/01/355630801.db2.gz MDWZLVVNKZTTHT-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO Cc1ncsc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639336962 355772981 /nfs/dbraw/zinc/77/29/81/355772981.db2.gz NMLUHOVIDNYRJB-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639336962 355772983 /nfs/dbraw/zinc/77/29/83/355772983.db2.gz NMLUHOVIDNYRJB-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639333420 355762122 /nfs/dbraw/zinc/76/21/22/355762122.db2.gz XBZBWOXZXRUZTI-VIFPVBQESA-N 1 2 236.319 0.832 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639333420 355762123 /nfs/dbraw/zinc/76/21/23/355762123.db2.gz XBZBWOXZXRUZTI-VIFPVBQESA-N 1 2 236.319 0.832 20 0 BCADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CO)sn1 ZINC000639333295 355762255 /nfs/dbraw/zinc/76/22/55/355762255.db2.gz HHVDJUWAQGWHCS-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)sn1 ZINC000639333295 355762257 /nfs/dbraw/zinc/76/22/57/355762257.db2.gz HHVDJUWAQGWHCS-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CO)ccn1 ZINC000639334679 355764826 /nfs/dbraw/zinc/76/48/26/355764826.db2.gz UMPFXIPNAVCNOE-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)ccn1 ZINC000639334679 355764830 /nfs/dbraw/zinc/76/48/30/355764830.db2.gz UMPFXIPNAVCNOE-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639335960 355768345 /nfs/dbraw/zinc/76/83/45/355768345.db2.gz CMQUPJOELBDJGR-GFCCVEGCSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639335960 355768349 /nfs/dbraw/zinc/76/83/49/355768349.db2.gz CMQUPJOELBDJGR-GFCCVEGCSA-N 1 2 235.331 0.498 20 0 BCADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CCOC1 ZINC000583601093 355732403 /nfs/dbraw/zinc/73/24/03/355732403.db2.gz FNBZOKGFEQAJGM-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO COc1cc(C[NH2+]Cc2cn[nH]c2)on1 ZINC000639326845 355732979 /nfs/dbraw/zinc/73/29/79/355732979.db2.gz WBNJLCFJMUZICM-UHFFFAOYSA-N 1 2 208.221 0.696 20 0 BCADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336039838 134061131 /nfs/dbraw/zinc/06/11/31/134061131.db2.gz QNBQVEAVOJAEHY-JQWIXIFHSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C12CC(C1)C2 ZINC000623254084 355852942 /nfs/dbraw/zinc/85/29/42/355852942.db2.gz GVZXTDHYEQXMIF-XEVUQIKYSA-N 1 2 217.272 0.724 20 0 BCADLO O=C(CCCF)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254514 355855042 /nfs/dbraw/zinc/85/50/42/355855042.db2.gz FOELWZQBAYSSDJ-QMMMGPOBSA-N 1 2 211.240 0.674 20 0 BCADLO CO[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623254813 355855897 /nfs/dbraw/zinc/85/58/97/355855897.db2.gz ZNDLEMXSBYLNEZ-JQWIXIFHSA-N 1 2 249.314 0.739 20 0 BCADLO COC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255873 355861488 /nfs/dbraw/zinc/86/14/88/355861488.db2.gz ZAOQNIKYVPWJLM-QMMMGPOBSA-N 1 2 221.260 0.103 20 0 BCADLO Cc1[nH]c(CN(C)[C@]2(CO)CCOC2)[nH+]c1C ZINC000628368039 355862245 /nfs/dbraw/zinc/86/22/45/355862245.db2.gz INLHYDYDUKNEOH-LBPRGKRZSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CCOC2)[nH]c1C ZINC000628368039 355862250 /nfs/dbraw/zinc/86/22/50/355862250.db2.gz INLHYDYDUKNEOH-LBPRGKRZSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1nc(C[N@H+](C)[C@]2(CO)CCOC2)[nH]c1C ZINC000628368039 355862252 /nfs/dbraw/zinc/86/22/52/355862252.db2.gz INLHYDYDUKNEOH-LBPRGKRZSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000628367687 355862425 /nfs/dbraw/zinc/86/24/25/355862425.db2.gz NEWKOEVPDBEQJK-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000628367687 355862428 /nfs/dbraw/zinc/86/24/28/355862428.db2.gz NEWKOEVPDBEQJK-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000628367687 355862430 /nfs/dbraw/zinc/86/24/30/355862430.db2.gz NEWKOEVPDBEQJK-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000628367687 355862433 /nfs/dbraw/zinc/86/24/33/355862433.db2.gz NEWKOEVPDBEQJK-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO C[C@H]1OCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000191901997 355863388 /nfs/dbraw/zinc/86/33/88/355863388.db2.gz OIJWOYQENMTDLM-HTQZYQBOSA-N 1 2 226.280 0.403 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000350896598 355868943 /nfs/dbraw/zinc/86/89/43/355868943.db2.gz NKJNLGWUIIOVJL-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000350896598 355868946 /nfs/dbraw/zinc/86/89/46/355868946.db2.gz NKJNLGWUIIOVJL-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cnn(C)c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256834 355981406 /nfs/dbraw/zinc/98/14/06/355981406.db2.gz WZEZFPPEBPFVIK-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO COCCc1nc(C[N@H+](CCO)C(C)C)no1 ZINC000351449139 355993563 /nfs/dbraw/zinc/99/35/63/355993563.db2.gz XKVRYHBNBVBGHL-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000351449139 355993564 /nfs/dbraw/zinc/99/35/64/355993564.db2.gz XKVRYHBNBVBGHL-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[NH2+]C(C)(C)COC)no1 ZINC000351496387 356002402 /nfs/dbraw/zinc/00/24/02/356002402.db2.gz RMDDOUGUCPYIHM-UHFFFAOYSA-N 1 2 243.307 0.773 20 0 BCADLO C[C@@H]([NH2+]Cc1csnn1)[C@H](O)C(F)(F)F ZINC000639387689 356003722 /nfs/dbraw/zinc/00/37/22/356003722.db2.gz RLRPKWUNIALONX-XINAWCOVSA-N 1 2 241.238 0.939 20 0 BCADLO C[C@H](C(=O)Nc1cn(C)nn1)[NH+]1CC(C)C1 ZINC000583640902 355946916 /nfs/dbraw/zinc/94/69/16/355946916.db2.gz YDYRXTXKMSHKOV-MRVPVSSYSA-N 1 2 223.280 0.094 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000623256361 355948056 /nfs/dbraw/zinc/94/80/56/355948056.db2.gz IRSGDCSZJILBAP-HKWIRBFKSA-N 1 2 247.298 0.492 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257438 356037886 /nfs/dbraw/zinc/03/78/86/356037886.db2.gz KCIZFAUJRPVSMK-PSASIEDQSA-N 1 2 223.276 0.085 20 0 BCADLO CC(C)OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351647460 356044609 /nfs/dbraw/zinc/04/46/09/356044609.db2.gz RGPODAHJSKMIDL-UHFFFAOYSA-N 1 2 210.281 0.588 20 0 BCADLO CC(C)OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351647460 356044613 /nfs/dbraw/zinc/04/46/13/356044613.db2.gz RGPODAHJSKMIDL-UHFFFAOYSA-N 1 2 210.281 0.588 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000351659516 356047387 /nfs/dbraw/zinc/04/73/87/356047387.db2.gz RNQSTQPLNJMWFQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC000351659516 356047388 /nfs/dbraw/zinc/04/73/88/356047388.db2.gz RNQSTQPLNJMWFQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(Cc3ccon3)C[C@H]21 ZINC000351530259 356009571 /nfs/dbraw/zinc/00/95/71/356009571.db2.gz AJCNIVOWRNKGNA-MNOVXSKESA-N 1 2 223.276 0.189 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(Cc3ccon3)C[C@H]21 ZINC000351530259 356009576 /nfs/dbraw/zinc/00/95/76/356009576.db2.gz AJCNIVOWRNKGNA-MNOVXSKESA-N 1 2 223.276 0.189 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CCN(C)C2=O)[nH+]1 ZINC000351544831 356013231 /nfs/dbraw/zinc/01/32/31/356013231.db2.gz NISBTBBCYHUYNM-VIFPVBQESA-N 1 2 245.286 0.909 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000049000758 181229247 /nfs/dbraw/zinc/22/92/47/181229247.db2.gz UOMLYDYATYRGAC-NSHDSACASA-N 1 2 238.287 0.746 20 0 BCADLO NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000049000758 181229248 /nfs/dbraw/zinc/22/92/48/181229248.db2.gz UOMLYDYATYRGAC-NSHDSACASA-N 1 2 238.287 0.746 20 0 BCADLO NC(=O)CCn1cc[nH+]c1-c1ccncc1 ZINC000360505587 181229950 /nfs/dbraw/zinc/22/99/50/181229950.db2.gz AHMNLRAYNLVZQX-UHFFFAOYSA-N 1 2 216.244 0.821 20 0 BCADLO CO[C@@](C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258235 356065172 /nfs/dbraw/zinc/06/51/72/356065172.db2.gz LEOIFZGUXVZNRC-GXFFZTMASA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289356287 181231507 /nfs/dbraw/zinc/23/15/07/181231507.db2.gz NOKRYHQJWSFRFN-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289356287 181231510 /nfs/dbraw/zinc/23/15/10/181231510.db2.gz NOKRYHQJWSFRFN-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO CCn1nncc1C[N@@H+]1CCSC[C@@H]1CO ZINC000639398193 356109092 /nfs/dbraw/zinc/10/90/92/356109092.db2.gz WPAXBCXYIFZWBL-JTQLQIEISA-N 1 2 242.348 0.208 20 0 BCADLO CCn1nncc1C[N@H+]1CCSC[C@@H]1CO ZINC000639398193 356109097 /nfs/dbraw/zinc/10/90/97/356109097.db2.gz WPAXBCXYIFZWBL-JTQLQIEISA-N 1 2 242.348 0.208 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1nccs1 ZINC000623260387 356116581 /nfs/dbraw/zinc/11/65/81/356116581.db2.gz BDIFZBDDQNCVLS-SSDOTTSWSA-N 1 2 234.284 0.694 20 0 BCADLO COC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623261046 356128894 /nfs/dbraw/zinc/12/88/94/356128894.db2.gz ZZFJHKFJDUGSBL-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO CCOC1CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258405 356071157 /nfs/dbraw/zinc/07/11/57/356071157.db2.gz SEXKSFUEAIDCSS-YZRBJQDESA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623259585 356089715 /nfs/dbraw/zinc/08/97/15/356089715.db2.gz DUQAINOPMDSWBE-ONGXEEELSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@](C)(OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259691 356090411 /nfs/dbraw/zinc/09/04/11/356090411.db2.gz IJLLQONGYVIYIJ-CABZTGNLSA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)(O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259907 356092408 /nfs/dbraw/zinc/09/24/08/356092408.db2.gz NVNSOHSATGBYDC-QMMMGPOBSA-N 1 2 223.276 0.085 20 0 BCADLO CN(CCO)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000351842050 356094872 /nfs/dbraw/zinc/09/48/72/356094872.db2.gz IIDYKAZBFSIGDC-UHFFFAOYSA-N 1 2 246.270 0.332 20 0 BCADLO NC(=O)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106304585 181254073 /nfs/dbraw/zinc/25/40/73/181254073.db2.gz QUBNFICFNFICQX-UHFFFAOYSA-N 1 2 219.244 0.197 20 0 BCADLO COCC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000351897519 356169602 /nfs/dbraw/zinc/16/96/02/356169602.db2.gz PCWMHSKZANGZMR-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262749 356172222 /nfs/dbraw/zinc/17/22/22/356172222.db2.gz NPUDRQKKIOQHNV-QXEWZRGKSA-N 1 2 235.287 0.349 20 0 BCADLO CCn1ccnc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000584356149 356175709 /nfs/dbraw/zinc/17/57/09/356175709.db2.gz ANGHAUNRTHNICG-JTQLQIEISA-N 1 2 247.302 0.977 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000602772269 491087878 /nfs/dbraw/zinc/08/78/78/491087878.db2.gz LWEDNRJXGWPPHN-SNVBAGLBSA-N 1 2 225.292 0.427 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000602772269 491087879 /nfs/dbraw/zinc/08/78/79/491087879.db2.gz LWEDNRJXGWPPHN-SNVBAGLBSA-N 1 2 225.292 0.427 20 0 BCADLO CCn1nccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261201 356144560 /nfs/dbraw/zinc/14/45/60/356144560.db2.gz DZHSKLIBVRQEON-SECBINFHSA-N 1 2 245.286 0.454 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000332638556 356224075 /nfs/dbraw/zinc/22/40/75/356224075.db2.gz JSPJEWQVUXCEBX-YUMQZZPRSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000332638556 356224078 /nfs/dbraw/zinc/22/40/78/356224078.db2.gz JSPJEWQVUXCEBX-YUMQZZPRSA-N 1 2 210.281 0.322 20 0 BCADLO O=C(CC[C@H]1CCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264427 356235999 /nfs/dbraw/zinc/23/59/99/356235999.db2.gz LHFZMYSDQFRIPQ-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1cccnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263989 356227710 /nfs/dbraw/zinc/22/77/10/356227710.db2.gz CHCRYRAZRWSAJC-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCS1 ZINC000623263996 356228191 /nfs/dbraw/zinc/22/81/91/356228191.db2.gz CKEFLYXOZJYGHN-SCZZXKLOSA-N 1 2 237.328 0.820 20 0 BCADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264110 356228927 /nfs/dbraw/zinc/22/89/27/356228927.db2.gz GGWGPYXFQZTYBI-MRVPVSSYSA-N 1 2 205.261 0.724 20 0 BCADLO COC[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264988 356230872 /nfs/dbraw/zinc/23/08/72/356230872.db2.gz YHMISZNJVMZNPG-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cncc(F)c1 ZINC000623264605 356236343 /nfs/dbraw/zinc/23/63/43/356236343.db2.gz PFNKQHXKOHAKEM-JTQLQIEISA-N 1 2 246.245 0.772 20 0 BCADLO C[C@@](O)(CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263113 356198314 /nfs/dbraw/zinc/19/83/14/356198314.db2.gz CCEKKQOSTYPUPV-GXFFZTMASA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnco1 ZINC000623263860 356205001 /nfs/dbraw/zinc/20/50/01/356205001.db2.gz ZRASQCHHSMFYNU-SSDOTTSWSA-N 1 2 218.216 0.226 20 0 BCADLO NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152462123 181261647 /nfs/dbraw/zinc/26/16/47/181261647.db2.gz WVNSKMPAPYNMDZ-QMMMGPOBSA-N 1 2 206.249 0.329 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)Nc1ccccn1 ZINC000639466422 356252828 /nfs/dbraw/zinc/25/28/28/356252828.db2.gz VVGPBOQPTHZMLU-UHFFFAOYSA-N 1 2 235.287 0.742 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)Nc1ccccn1 ZINC000639466422 356252831 /nfs/dbraw/zinc/25/28/31/356252831.db2.gz VVGPBOQPTHZMLU-UHFFFAOYSA-N 1 2 235.287 0.742 20 0 BCADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2COC[C@@H]21 ZINC000333095642 356261917 /nfs/dbraw/zinc/26/19/17/356261917.db2.gz PCQSGKCMYLWNIU-JGVFFNPUSA-N 1 2 238.291 0.367 20 0 BCADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2COC[C@@H]21 ZINC000333095642 356261923 /nfs/dbraw/zinc/26/19/23/356261923.db2.gz PCQSGKCMYLWNIU-JGVFFNPUSA-N 1 2 238.291 0.367 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639476577 356271639 /nfs/dbraw/zinc/27/16/39/356271639.db2.gz OWWPEBCXNYCRHT-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639476577 356271641 /nfs/dbraw/zinc/27/16/41/356271641.db2.gz OWWPEBCXNYCRHT-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO CCC(=O)N1CCC[N@H+](CC(C)=O)CC1 ZINC000639458369 356243732 /nfs/dbraw/zinc/24/37/32/356243732.db2.gz XTLVSIWYUJEMIB-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CCC(=O)N1CCC[N@@H+](CC(C)=O)CC1 ZINC000639458369 356243734 /nfs/dbraw/zinc/24/37/34/356243734.db2.gz XTLVSIWYUJEMIB-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cocn1 ZINC000623267070 356324271 /nfs/dbraw/zinc/32/42/71/356324271.db2.gz JYWAAMSJDYUWLV-ZETCQYMHSA-N 1 2 218.216 0.226 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cocn1 ZINC000623267069 356324346 /nfs/dbraw/zinc/32/43/46/356324346.db2.gz JYWAAMSJDYUWLV-SSDOTTSWSA-N 1 2 218.216 0.226 20 0 BCADLO CCN1CC[N@H+](Cc2c[nH]nc2C)[C@@H](C)C1=O ZINC000336269248 356327847 /nfs/dbraw/zinc/32/78/47/356327847.db2.gz ZSNFYFZCXUVYBW-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO CCN1CC[N@@H+](Cc2c[nH]nc2C)[C@@H](C)C1=O ZINC000336269248 356327850 /nfs/dbraw/zinc/32/78/50/356327850.db2.gz ZSNFYFZCXUVYBW-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724981 356300992 /nfs/dbraw/zinc/30/09/92/356300992.db2.gz FPTNBGZBJILIJA-BJDJZHNGSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724981 356300997 /nfs/dbraw/zinc/30/09/97/356300997.db2.gz FPTNBGZBJILIJA-BJDJZHNGSA-N 1 2 240.347 0.868 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617736992 356304089 /nfs/dbraw/zinc/30/40/89/356304089.db2.gz BMCGSWAFEHFIHB-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617736992 356304093 /nfs/dbraw/zinc/30/40/93/356304093.db2.gz BMCGSWAFEHFIHB-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266171 356304737 /nfs/dbraw/zinc/30/47/37/356304737.db2.gz UDTLYULNXBLKBQ-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617743068 356305123 /nfs/dbraw/zinc/30/51/23/356305123.db2.gz FPTNBGZBJILIJA-NNYUYHANSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617743068 356305126 /nfs/dbraw/zinc/30/51/26/356305126.db2.gz FPTNBGZBJILIJA-NNYUYHANSA-N 1 2 240.347 0.868 20 0 BCADLO COC[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639499767 356328769 /nfs/dbraw/zinc/32/87/69/356328769.db2.gz LWGABGZXFHWFDX-GFCCVEGCSA-N 1 2 237.303 0.366 20 0 BCADLO COC[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639499767 356328774 /nfs/dbraw/zinc/32/87/74/356328774.db2.gz LWGABGZXFHWFDX-GFCCVEGCSA-N 1 2 237.303 0.366 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000639493554 356315399 /nfs/dbraw/zinc/31/53/99/356315399.db2.gz NEEKRYNLYHCQIK-NSHDSACASA-N 1 2 248.330 0.993 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000639493554 356315401 /nfs/dbraw/zinc/31/54/01/356315401.db2.gz NEEKRYNLYHCQIK-NSHDSACASA-N 1 2 248.330 0.993 20 0 BCADLO NC(=O)[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276533187 181266718 /nfs/dbraw/zinc/26/67/18/181266718.db2.gz DZTLXRHGLNJVCU-YEZKRMTDSA-N 1 2 248.286 0.289 20 0 BCADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCOCC1 ZINC000623268615 356342977 /nfs/dbraw/zinc/34/29/77/356342977.db2.gz RPXNIJNGBLEFCV-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512153 356343804 /nfs/dbraw/zinc/34/38/04/356343804.db2.gz VHRVOGVGTKZFTC-LBPRGKRZSA-N 1 2 237.303 0.979 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512153 356343806 /nfs/dbraw/zinc/34/38/06/356343806.db2.gz VHRVOGVGTKZFTC-LBPRGKRZSA-N 1 2 237.303 0.979 20 0 BCADLO Cc1ncc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000639522452 356368803 /nfs/dbraw/zinc/36/88/03/356368803.db2.gz IIUOGNMJVKTNAE-VIFPVBQESA-N 1 2 248.286 0.927 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1nnc[nH]1 ZINC000639515132 356356279 /nfs/dbraw/zinc/35/62/79/356356279.db2.gz QGICAEUCLSEVLK-BDAKNGLRSA-N 1 2 210.281 0.662 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@@H+](C)Cc1nnc[nH]1 ZINC000639515132 356356282 /nfs/dbraw/zinc/35/62/82/356356282.db2.gz QGICAEUCLSEVLK-BDAKNGLRSA-N 1 2 210.281 0.662 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000352668783 356399835 /nfs/dbraw/zinc/39/98/35/356399835.db2.gz UWMNMBILHLBPLN-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000352668783 356399839 /nfs/dbraw/zinc/39/98/39/356399839.db2.gz UWMNMBILHLBPLN-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO NC(=O)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110541389 181270896 /nfs/dbraw/zinc/27/08/96/181270896.db2.gz JUFVXFRHDAYNAJ-SECBINFHSA-N 1 2 232.287 0.666 20 0 BCADLO NC(=O)[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227849211 181270959 /nfs/dbraw/zinc/27/09/59/181270959.db2.gz IHBZKXJMJBFCMT-RXMQYKEDSA-N 1 2 241.682 0.024 20 0 BCADLO NC(=O)[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227849211 181270960 /nfs/dbraw/zinc/27/09/60/181270960.db2.gz IHBZKXJMJBFCMT-RXMQYKEDSA-N 1 2 241.682 0.024 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000092735781 181271640 /nfs/dbraw/zinc/27/16/40/181271640.db2.gz ABWYHEDBUWIUND-VIFPVBQESA-N 1 2 226.301 0.434 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000092735781 181271644 /nfs/dbraw/zinc/27/16/44/181271644.db2.gz ABWYHEDBUWIUND-VIFPVBQESA-N 1 2 226.301 0.434 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000092735790 181271951 /nfs/dbraw/zinc/27/19/51/181271951.db2.gz OQBZAQYBRKPDII-VIFPVBQESA-N 1 2 226.301 0.434 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000092735790 181271955 /nfs/dbraw/zinc/27/19/55/181271955.db2.gz OQBZAQYBRKPDII-VIFPVBQESA-N 1 2 226.301 0.434 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270990 356385895 /nfs/dbraw/zinc/38/58/95/356385895.db2.gz PXHVTXRZKAAKJL-KOLCDFICSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1Cc1cccnc1 ZINC000271503457 181272375 /nfs/dbraw/zinc/27/23/75/181272375.db2.gz DIMVVPNXZRIBIM-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1Cc1cccnc1 ZINC000271503457 181272377 /nfs/dbraw/zinc/27/23/77/181272377.db2.gz DIMVVPNXZRIBIM-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO C[C@H](OCC1CC1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270989 356385950 /nfs/dbraw/zinc/38/59/50/356385950.db2.gz PXHVTXRZKAAKJL-GXSJLCMTSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccncc1 ZINC000271597675 181272496 /nfs/dbraw/zinc/27/24/96/181272496.db2.gz SNFOIJSUSCGVIK-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1Cc1ccncc1 ZINC000271597675 181272497 /nfs/dbraw/zinc/27/24/97/181272497.db2.gz SNFOIJSUSCGVIK-JTQLQIEISA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000065353557 181272651 /nfs/dbraw/zinc/27/26/51/181272651.db2.gz WQHGUCSHIWGFNX-LVDDQXARSA-N 1 2 246.310 0.886 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000065353557 181272652 /nfs/dbraw/zinc/27/26/52/181272652.db2.gz WQHGUCSHIWGFNX-LVDDQXARSA-N 1 2 246.310 0.886 20 0 BCADLO CCC[C@@H]1CN(CC(C)=O)CC[N@@H+]1CC(C)=O ZINC000639538729 356390508 /nfs/dbraw/zinc/39/05/08/356390508.db2.gz RQEZPKGMKBFISE-CYBMUJFWSA-N 1 2 240.347 0.951 20 0 BCADLO CCC[C@@H]1CN(CC(C)=O)CC[N@H+]1CC(C)=O ZINC000639538729 356390512 /nfs/dbraw/zinc/39/05/12/356390512.db2.gz RQEZPKGMKBFISE-CYBMUJFWSA-N 1 2 240.347 0.951 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccon1 ZINC000623272226 356391919 /nfs/dbraw/zinc/39/19/19/356391919.db2.gz RCYMUIMRNVTGJH-SSDOTTSWSA-N 1 2 218.216 0.226 20 0 BCADLO CC(=O)CN(C)[C@H]1CCC[N@H+](CC(C)=O)CC1 ZINC000639547076 356410971 /nfs/dbraw/zinc/41/09/71/356410971.db2.gz PVDPPJPGSJGBSU-ZDUSSCGKSA-N 1 2 240.347 0.951 20 0 BCADLO CC(=O)CN(C)[C@H]1CCC[N@@H+](CC(C)=O)CC1 ZINC000639547076 356410972 /nfs/dbraw/zinc/41/09/72/356410972.db2.gz PVDPPJPGSJGBSU-ZDUSSCGKSA-N 1 2 240.347 0.951 20 0 BCADLO Cc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623275790 356411017 /nfs/dbraw/zinc/41/10/17/356411017.db2.gz MMNSATMZPQVGCF-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO Cc1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623275791 356411060 /nfs/dbraw/zinc/41/10/60/356411060.db2.gz MMNSATMZPQVGCF-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639548197 356411404 /nfs/dbraw/zinc/41/14/04/356411404.db2.gz DPVQUPHOZBZEDI-JTQLQIEISA-N 1 2 246.318 0.631 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639548197 356411406 /nfs/dbraw/zinc/41/14/06/356411406.db2.gz DPVQUPHOZBZEDI-JTQLQIEISA-N 1 2 246.318 0.631 20 0 BCADLO O=C(CCn1cccn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623276071 356413101 /nfs/dbraw/zinc/41/31/01/356413101.db2.gz TYIDQIYBUVVGAO-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH]cn1 ZINC000375492335 181275096 /nfs/dbraw/zinc/27/50/96/181275096.db2.gz DIXHZLZVNUMNDX-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c[nH]cn1 ZINC000375492335 181275097 /nfs/dbraw/zinc/27/50/97/181275097.db2.gz DIXHZLZVNUMNDX-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnc[nH]1 ZINC000375492335 181275099 /nfs/dbraw/zinc/27/50/99/181275099.db2.gz DIXHZLZVNUMNDX-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc[nH]1 ZINC000375492335 181275101 /nfs/dbraw/zinc/27/51/01/181275101.db2.gz DIXHZLZVNUMNDX-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000368966159 181275113 /nfs/dbraw/zinc/27/51/13/181275113.db2.gz NHYBNIZGLVSSOT-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000368966159 181275114 /nfs/dbraw/zinc/27/51/14/181275114.db2.gz NHYBNIZGLVSSOT-GDPRMGEGSA-N 1 2 234.303 0.496 20 0 BCADLO CC(=O)CCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278396 356427218 /nfs/dbraw/zinc/42/72/18/356427218.db2.gz VCZWKGZEHNRPMU-SNVBAGLBSA-N 1 2 235.287 0.683 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2CCC[C@@H]2O)[nH]1 ZINC000352688606 356403665 /nfs/dbraw/zinc/40/36/65/356403665.db2.gz BQRONEPDENZOGK-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)[nH]1 ZINC000352688606 356403668 /nfs/dbraw/zinc/40/36/68/356403668.db2.gz BQRONEPDENZOGK-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000368966160 181274287 /nfs/dbraw/zinc/27/42/87/181274287.db2.gz NHYBNIZGLVSSOT-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000368966160 181274289 /nfs/dbraw/zinc/27/42/89/181274289.db2.gz NHYBNIZGLVSSOT-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639557728 356462308 /nfs/dbraw/zinc/46/23/08/356462308.db2.gz OABZCCYYAQCLCR-WPRPVWTQSA-N 1 2 237.303 0.835 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639557728 356462310 /nfs/dbraw/zinc/46/23/10/356462310.db2.gz OABZCCYYAQCLCR-WPRPVWTQSA-N 1 2 237.303 0.835 20 0 BCADLO CC[C@@H](O)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000420621606 192250060 /nfs/dbraw/zinc/25/00/60/192250060.db2.gz DLDRZSOPGTXQHM-SECBINFHSA-N 1 2 246.314 0.698 20 0 BCADLO O=S1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190537297 356447450 /nfs/dbraw/zinc/44/74/50/356447450.db2.gz HZNJLTWFYRWZCE-GFCCVEGCSA-N 1 2 245.388 0.992 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)no1 ZINC000623280031 356448656 /nfs/dbraw/zinc/44/86/56/356448656.db2.gz KWHRFZGGYJEUDU-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CCCOC1 ZINC000352230703 134111272 /nfs/dbraw/zinc/11/12/72/134111272.db2.gz MAPACFJLIYRFGU-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CCCOC1 ZINC000352230703 134111273 /nfs/dbraw/zinc/11/12/73/134111273.db2.gz MAPACFJLIYRFGU-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO NC(=O)NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352230831 134111397 /nfs/dbraw/zinc/11/13/97/134111397.db2.gz MIEWDFKQTGRVQW-UHFFFAOYSA-N 1 2 249.261 0.739 20 0 BCADLO Cc1cc(NCc2cn(C)nn2)c(C#N)c[nH+]1 ZINC000399385205 356487847 /nfs/dbraw/zinc/48/78/47/356487847.db2.gz KXQDLGANJAHXAP-UHFFFAOYSA-N 1 2 228.259 0.424 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276632241 356466047 /nfs/dbraw/zinc/46/60/47/356466047.db2.gz SXGVLAJEJLGTBX-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276632241 356466049 /nfs/dbraw/zinc/46/60/49/356466049.db2.gz SXGVLAJEJLGTBX-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(=O)[nH]c1 ZINC000623282206 356467637 /nfs/dbraw/zinc/46/76/37/356467637.db2.gz PKLXZTSQIXXGKD-SECBINFHSA-N 1 2 244.254 0.338 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1cccnc1 ZINC000271503458 181284621 /nfs/dbraw/zinc/28/46/21/181284621.db2.gz DIMVVPNXZRIBIM-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1Cc1cccnc1 ZINC000271503458 181284622 /nfs/dbraw/zinc/28/46/22/181284622.db2.gz DIMVVPNXZRIBIM-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270561275 181283579 /nfs/dbraw/zinc/28/35/79/181283579.db2.gz JQVIEGXHUQSWNW-QMMMGPOBSA-N 1 2 230.271 0.875 20 0 BCADLO CC[N@@H+](CC(C)=O)C[C@@H](O)C(F)(F)F ZINC000639595426 356514438 /nfs/dbraw/zinc/51/44/38/356514438.db2.gz IGJKTSOHYKHKSP-SSDOTTSWSA-N 1 2 213.199 0.821 20 0 BCADLO CC[N@H+](CC(C)=O)C[C@@H](O)C(F)(F)F ZINC000639595426 356514441 /nfs/dbraw/zinc/51/44/41/356514441.db2.gz IGJKTSOHYKHKSP-SSDOTTSWSA-N 1 2 213.199 0.821 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000639586483 356504875 /nfs/dbraw/zinc/50/48/75/356504875.db2.gz MADGKUCYCDYSLQ-SNVBAGLBSA-N 1 2 225.292 0.111 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000639586483 356504882 /nfs/dbraw/zinc/50/48/82/356504882.db2.gz MADGKUCYCDYSLQ-SNVBAGLBSA-N 1 2 225.292 0.111 20 0 BCADLO CC(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000639585558 356508126 /nfs/dbraw/zinc/50/81/26/356508126.db2.gz KRWSEVUQXMVQMG-UHFFFAOYSA-N 1 2 234.303 0.496 20 0 BCADLO CCCN1CCC[N@H+](CC(C)=O)CC1=O ZINC000639607106 356528567 /nfs/dbraw/zinc/52/85/67/356528567.db2.gz QMLJTGYXCNESIQ-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CCCN1CCC[N@@H+](CC(C)=O)CC1=O ZINC000639607106 356528568 /nfs/dbraw/zinc/52/85/68/356528568.db2.gz QMLJTGYXCNESIQ-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO Cn1cccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623295662 356532175 /nfs/dbraw/zinc/53/21/75/356532175.db2.gz PAFOKUVWJZXKCR-JTQLQIEISA-N 1 2 244.298 0.966 20 0 BCADLO CC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000639596561 356515736 /nfs/dbraw/zinc/51/57/36/356515736.db2.gz UYZGUNHJLSGWJD-SECBINFHSA-N 1 2 214.309 0.810 20 0 BCADLO CC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000639596561 356515740 /nfs/dbraw/zinc/51/57/40/356515740.db2.gz UYZGUNHJLSGWJD-SECBINFHSA-N 1 2 214.309 0.810 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCOC1 ZINC000336179827 134117947 /nfs/dbraw/zinc/11/79/47/134117947.db2.gz DDZSIODOPSVEBW-NSHDSACASA-N 1 2 223.276 0.795 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCCOCC1 ZINC000623292766 356519195 /nfs/dbraw/zinc/51/91/95/356519195.db2.gz SLQGAHIVXHGKPN-UHFFFAOYSA-N 1 2 237.303 0.912 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)CC(=O)N1C ZINC000639628869 356544102 /nfs/dbraw/zinc/54/41/02/356544102.db2.gz QGKGREHQCJNGTB-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)CC(=O)N1C ZINC000639628869 356544105 /nfs/dbraw/zinc/54/41/05/356544105.db2.gz QGKGREHQCJNGTB-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO CCC(F)(F)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000639630166 356545586 /nfs/dbraw/zinc/54/55/86/356545586.db2.gz RYJICKNZJXWQPV-UHFFFAOYSA-N 1 2 236.262 0.344 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000179578063 366271050 /nfs/dbraw/zinc/27/10/50/366271050.db2.gz SDZAFMLWTPVLJD-MRVPVSSYSA-N 1 2 211.290 0.593 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000179578063 366271057 /nfs/dbraw/zinc/27/10/57/366271057.db2.gz SDZAFMLWTPVLJD-MRVPVSSYSA-N 1 2 211.290 0.593 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420937611 192289246 /nfs/dbraw/zinc/28/92/46/192289246.db2.gz OLYFSHCNKOEZKD-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420937611 192289247 /nfs/dbraw/zinc/28/92/47/192289247.db2.gz OLYFSHCNKOEZKD-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420937613 192289469 /nfs/dbraw/zinc/28/94/69/192289469.db2.gz OLYFSHCNKOEZKD-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420937613 192289471 /nfs/dbraw/zinc/28/94/71/192289471.db2.gz OLYFSHCNKOEZKD-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO Cc1cccn2c(CN3CCNC(=O)C3)c[nH+]c12 ZINC000179594105 366273119 /nfs/dbraw/zinc/27/31/19/366273119.db2.gz YTQFBBCMDZVTJH-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000639621625 356540623 /nfs/dbraw/zinc/54/06/23/356540623.db2.gz BKOAIWIRWYEODT-QMMMGPOBSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000639621625 356540630 /nfs/dbraw/zinc/54/06/30/356540630.db2.gz BKOAIWIRWYEODT-QMMMGPOBSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000639621625 356540633 /nfs/dbraw/zinc/54/06/33/356540633.db2.gz BKOAIWIRWYEODT-QMMMGPOBSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000639621625 356540637 /nfs/dbraw/zinc/54/06/37/356540637.db2.gz BKOAIWIRWYEODT-QMMMGPOBSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000639620957 356540981 /nfs/dbraw/zinc/54/09/81/356540981.db2.gz QMMIVTLKUGOEHN-UHFFFAOYSA-N 1 2 211.261 0.971 20 0 BCADLO CC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000639620957 356540984 /nfs/dbraw/zinc/54/09/84/356540984.db2.gz QMMIVTLKUGOEHN-UHFFFAOYSA-N 1 2 211.261 0.971 20 0 BCADLO CC[C@H]1C[N@H+](CC(C)=O)C[C@]2(CCOC2)O1 ZINC000639620810 356541438 /nfs/dbraw/zinc/54/14/38/356541438.db2.gz OHJRNVZOINTUAK-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO CC[C@H]1C[N@@H+](CC(C)=O)C[C@]2(CCOC2)O1 ZINC000639620810 356541440 /nfs/dbraw/zinc/54/14/40/356541440.db2.gz OHJRNVZOINTUAK-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297556 356549578 /nfs/dbraw/zinc/54/95/78/356549578.db2.gz HNYHAGRBHSTARE-YWVKMMECSA-N 1 2 219.288 0.970 20 0 BCADLO CC(=O)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000639639260 356551870 /nfs/dbraw/zinc/55/18/70/356551870.db2.gz UJOBXSQKPSXZMF-VIFPVBQESA-N 1 2 210.281 0.691 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H](O)C1CCC1 ZINC000623299273 356556083 /nfs/dbraw/zinc/55/60/83/356556083.db2.gz VCIGGBRTQOKGRE-CMPLNLGQSA-N 1 2 249.314 0.475 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421024185 192305659 /nfs/dbraw/zinc/30/56/59/192305659.db2.gz CEAZFHLMXMSSDV-CMPLNLGQSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421024185 192305661 /nfs/dbraw/zinc/30/56/61/192305661.db2.gz CEAZFHLMXMSSDV-CMPLNLGQSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299746 356559781 /nfs/dbraw/zinc/55/97/81/356559781.db2.gz CCNKMRJREAUSCD-GXSJLCMTSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(C[N@@H+]1CC[C@@]12CCOC2)NCC1CCC1 ZINC000421028673 192309953 /nfs/dbraw/zinc/30/99/53/192309953.db2.gz WPVCZDKSYWEIQX-ZDUSSCGKSA-N 1 2 238.331 0.768 20 0 BCADLO O=C(C[N@H+]1CC[C@@]12CCOC2)NCC1CCC1 ZINC000421028673 192309955 /nfs/dbraw/zinc/30/99/55/192309955.db2.gz WPVCZDKSYWEIQX-ZDUSSCGKSA-N 1 2 238.331 0.768 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613538427 363479173 /nfs/dbraw/zinc/47/91/73/363479173.db2.gz MQJKHZVOQGDQPH-SSDOTTSWSA-N 1 2 246.274 0.282 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613538427 363479177 /nfs/dbraw/zinc/47/91/77/363479177.db2.gz MQJKHZVOQGDQPH-SSDOTTSWSA-N 1 2 246.274 0.282 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H](O)C1CC1 ZINC000623299732 356565987 /nfs/dbraw/zinc/56/59/87/356565987.db2.gz BSXBDMOCHQWBAY-MWLCHTKSSA-N 1 2 235.287 0.085 20 0 BCADLO CC[C@@H](CS(=O)(=O)Nc1cc[nH+]cc1)OC ZINC000421224995 192315737 /nfs/dbraw/zinc/31/57/37/192315737.db2.gz JPHUAHPMBYXZQI-JTQLQIEISA-N 1 2 244.316 0.670 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674788 356591771 /nfs/dbraw/zinc/59/17/71/356591771.db2.gz AFSGHJOAOLWXAU-YUMQZZPRSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674788 356591779 /nfs/dbraw/zinc/59/17/79/356591779.db2.gz AFSGHJOAOLWXAU-YUMQZZPRSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[S@]1=O ZINC000352294730 134139169 /nfs/dbraw/zinc/13/91/69/134139169.db2.gz RIHCPLRHUXAQQA-KCWFYHRYSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[S@]1=O ZINC000352294730 134139170 /nfs/dbraw/zinc/13/91/70/134139170.db2.gz RIHCPLRHUXAQQA-KCWFYHRYSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@H](C[N@@H+]1CCOC[C@H]1C)CS(C)(=O)=O ZINC000162768279 202058465 /nfs/dbraw/zinc/05/84/65/202058465.db2.gz MJXDLRVKQSPYCM-NXEZZACHSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@H](C[N@H+]1CCOC[C@H]1C)CS(C)(=O)=O ZINC000162768279 202058467 /nfs/dbraw/zinc/05/84/67/202058467.db2.gz MJXDLRVKQSPYCM-NXEZZACHSA-N 1 2 235.349 0.388 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302816 356583041 /nfs/dbraw/zinc/58/30/41/356583041.db2.gz POJSGLAXCHGXAI-RKDXNWHRSA-N 1 2 223.276 0.349 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CC(=O)C1 ZINC000623306553 356607803 /nfs/dbraw/zinc/60/78/03/356607803.db2.gz POQSWZSXAVRDJZ-SECBINFHSA-N 1 2 233.271 0.293 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000450132528 202085281 /nfs/dbraw/zinc/08/52/81/202085281.db2.gz QAMQQJFJBSJWBD-DDHJBXDOSA-N 1 2 238.331 0.574 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000450132528 202085285 /nfs/dbraw/zinc/08/52/85/202085285.db2.gz QAMQQJFJBSJWBD-DDHJBXDOSA-N 1 2 238.331 0.574 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cocn1 ZINC000623304813 356598312 /nfs/dbraw/zinc/59/83/12/356598312.db2.gz FPOMUXBWJGDRRL-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000623304927 356598392 /nfs/dbraw/zinc/59/83/92/356598392.db2.gz IHNQQBBNVCDSME-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO COCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623304764 356598702 /nfs/dbraw/zinc/59/87/02/356598702.db2.gz DVEHEJUCJLBJQQ-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000623304924 356598715 /nfs/dbraw/zinc/59/87/15/356598715.db2.gz IHNQQBBNVCDSME-GWCFXTLKSA-N 1 2 249.314 0.741 20 0 BCADLO CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639689269 356598792 /nfs/dbraw/zinc/59/87/92/356598792.db2.gz YQLCPVDVIDCVNV-IVZWLZJFSA-N 1 2 241.335 0.062 20 0 BCADLO CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639689269 356598794 /nfs/dbraw/zinc/59/87/94/356598794.db2.gz YQLCPVDVIDCVNV-IVZWLZJFSA-N 1 2 241.335 0.062 20 0 BCADLO OCc1cc[nH+]c(NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000630094650 363538402 /nfs/dbraw/zinc/53/84/02/363538402.db2.gz JRASNTCDILOUOH-GHMZBOCLSA-N 1 2 238.287 0.526 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@H]1COCCO1 ZINC000450269678 202116472 /nfs/dbraw/zinc/11/64/72/202116472.db2.gz NQDBTUMTLVTVLQ-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@H]1COCCO1 ZINC000450269678 202116474 /nfs/dbraw/zinc/11/64/74/202116474.db2.gz NQDBTUMTLVTVLQ-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COCC[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450291413 202120610 /nfs/dbraw/zinc/12/06/10/202120610.db2.gz VHMXPOCSVMTRLL-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450291413 202120614 /nfs/dbraw/zinc/12/06/14/202120614.db2.gz VHMXPOCSVMTRLL-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO C[C@H](CC(=O)N1CCC[C@H](O)C1)n1cc[nH+]c1 ZINC000578137232 366311388 /nfs/dbraw/zinc/31/13/88/366311388.db2.gz YTXVPFZIQWVLFZ-MNOVXSKESA-N 1 2 237.303 0.818 20 0 BCADLO CC[N@@H+](Cc1cnn[nH]1)C[C@@H]1CCCO1 ZINC000450323116 202128103 /nfs/dbraw/zinc/12/81/03/202128103.db2.gz FJEIBUGGDNICMT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@H+](Cc1cnn[nH]1)C[C@@H]1CCCO1 ZINC000450323116 202128105 /nfs/dbraw/zinc/12/81/05/202128105.db2.gz FJEIBUGGDNICMT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@@H+](Cc1c[nH]nn1)C[C@@H]1CCCO1 ZINC000450323116 202128107 /nfs/dbraw/zinc/12/81/07/202128107.db2.gz FJEIBUGGDNICMT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@H+](Cc1c[nH]nn1)C[C@@H]1CCCO1 ZINC000450323116 202128109 /nfs/dbraw/zinc/12/81/09/202128109.db2.gz FJEIBUGGDNICMT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H]1COCCO1)C1CC1 ZINC000450342185 202134788 /nfs/dbraw/zinc/13/47/88/202134788.db2.gz QQKJAJGRQCKCNM-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H]1COCCO1)C1CC1 ZINC000450342185 202134790 /nfs/dbraw/zinc/13/47/90/202134790.db2.gz QQKJAJGRQCKCNM-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000582241099 356671634 /nfs/dbraw/zinc/67/16/34/356671634.db2.gz BULOPRDNZSPXIJ-NSHDSACASA-N 1 2 245.269 0.807 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CC(C)(C(N)=O)C1 ZINC000582239153 356668999 /nfs/dbraw/zinc/66/89/99/356668999.db2.gz OTNUIYAJKOATAJ-MRVPVSSYSA-N 1 2 242.319 0.524 20 0 BCADLO CCC[C@H](O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000450365664 202144507 /nfs/dbraw/zinc/14/45/07/202144507.db2.gz RCOUWEMXMHDVNM-STQMWFEESA-N 1 2 244.379 0.800 20 0 BCADLO CCC[C@H](O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000450365664 202144510 /nfs/dbraw/zinc/14/45/10/202144510.db2.gz RCOUWEMXMHDVNM-STQMWFEESA-N 1 2 244.379 0.800 20 0 BCADLO CNC(=O)NCCNc1cc(C)[nH+]cc1C#N ZINC000399453996 356701353 /nfs/dbraw/zinc/70/13/53/356701353.db2.gz SGHFRVDVMVVMLU-UHFFFAOYSA-N 1 2 233.275 0.025 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778758 356725333 /nfs/dbraw/zinc/72/53/33/356725333.db2.gz SYSXQWMRVCKWDX-LLVKDONJSA-N 1 2 232.291 0.907 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778758 356725338 /nfs/dbraw/zinc/72/53/38/356725338.db2.gz SYSXQWMRVCKWDX-LLVKDONJSA-N 1 2 232.291 0.907 20 0 BCADLO COCC[C@H](C)[NH+]1CCS(=O)CC1 ZINC000088506426 356726961 /nfs/dbraw/zinc/72/69/61/356726961.db2.gz FEKYEQCOZLCTBT-VIFPVBQESA-N 1 2 205.323 0.476 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCc2ncnn21 ZINC000639783730 356735612 /nfs/dbraw/zinc/73/56/12/356735612.db2.gz MESVDTXFMVCWDB-JTQLQIEISA-N 1 2 232.291 0.621 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCc2ncnn21 ZINC000639783730 356735614 /nfs/dbraw/zinc/73/56/14/356735614.db2.gz MESVDTXFMVCWDB-JTQLQIEISA-N 1 2 232.291 0.621 20 0 BCADLO CNC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639794422 356747926 /nfs/dbraw/zinc/74/79/26/356747926.db2.gz QAJGACRBCNRZJV-UHFFFAOYSA-N 1 2 234.303 0.255 20 0 BCADLO CNC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639794422 356747928 /nfs/dbraw/zinc/74/79/28/356747928.db2.gz QAJGACRBCNRZJV-UHFFFAOYSA-N 1 2 234.303 0.255 20 0 BCADLO CCO[C@@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000623344464 356748027 /nfs/dbraw/zinc/74/80/27/356748027.db2.gz NVRQDPSFLWUSOB-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO COCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345095 356748807 /nfs/dbraw/zinc/74/88/07/356748807.db2.gz QPJSGAHRFQJZCZ-JTQLQIEISA-N 1 2 237.303 0.517 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)[nH]1 ZINC000355085135 356750374 /nfs/dbraw/zinc/75/03/74/356750374.db2.gz YUIGSWZCEHLDDT-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@H](CC)C2)[nH]1 ZINC000355085135 356750375 /nfs/dbraw/zinc/75/03/75/356750375.db2.gz YUIGSWZCEHLDDT-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000355338513 356756468 /nfs/dbraw/zinc/75/64/68/356756468.db2.gz DVTBDZGRXIWOAM-UHFFFAOYSA-N 1 2 248.392 1.000 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1ccnn1C ZINC000350598675 538679977 /nfs/dbraw/zinc/67/99/77/538679977.db2.gz NLAQIQWQVRVCSJ-UHFFFAOYSA-N 1 2 234.263 0.475 20 0 BCADLO CC[N@H+](Cc1n[nH]cc1C)[C@H]1CCNC1=O ZINC000356317819 356793204 /nfs/dbraw/zinc/79/32/04/356793204.db2.gz LDBGRPZLPHQBKZ-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC[N@@H+](Cc1n[nH]cc1C)[C@H]1CCNC1=O ZINC000356317819 356793206 /nfs/dbraw/zinc/79/32/06/356793206.db2.gz LDBGRPZLPHQBKZ-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@@H](OC)C1 ZINC000639832487 356818006 /nfs/dbraw/zinc/81/80/06/356818006.db2.gz HSULCEXZNAIEKT-LLVKDONJSA-N 1 2 225.292 0.708 20 0 BCADLO CO[C@H]1C[N@H+](CCC(=O)NC(C)C)CCO1 ZINC000639834011 356821374 /nfs/dbraw/zinc/82/13/74/356821374.db2.gz TXODTDDSHZAWCT-LLVKDONJSA-N 1 2 230.308 0.206 20 0 BCADLO CO[C@H]1C[N@@H+](CCC(=O)NC(C)C)CCO1 ZINC000639834011 356821376 /nfs/dbraw/zinc/82/13/76/356821376.db2.gz TXODTDDSHZAWCT-LLVKDONJSA-N 1 2 230.308 0.206 20 0 BCADLO CO[C@@H]1C[N@H+](CCC(=O)NC(C)C)CCO1 ZINC000639834012 356821534 /nfs/dbraw/zinc/82/15/34/356821534.db2.gz TXODTDDSHZAWCT-NSHDSACASA-N 1 2 230.308 0.206 20 0 BCADLO CO[C@@H]1C[N@@H+](CCC(=O)NC(C)C)CCO1 ZINC000639834012 356821535 /nfs/dbraw/zinc/82/15/35/356821535.db2.gz TXODTDDSHZAWCT-NSHDSACASA-N 1 2 230.308 0.206 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000639836637 356822168 /nfs/dbraw/zinc/82/21/68/356822168.db2.gz LUFSOOQNEULFTG-KOLCDFICSA-N 1 2 238.291 0.070 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000639836637 356822173 /nfs/dbraw/zinc/82/21/73/356822173.db2.gz LUFSOOQNEULFTG-KOLCDFICSA-N 1 2 238.291 0.070 20 0 BCADLO CCn1cc(CC[N@@H+]2CCO[C@@H](OC)C2)cn1 ZINC000639836454 356822589 /nfs/dbraw/zinc/82/25/89/356822589.db2.gz HCSOXKHJLLHESY-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(CC[N@H+]2CCO[C@@H](OC)C2)cn1 ZINC000639836454 356822592 /nfs/dbraw/zinc/82/25/92/356822592.db2.gz HCSOXKHJLLHESY-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000639836808 356823290 /nfs/dbraw/zinc/82/32/90/356823290.db2.gz JNQUKHPMIDFXSZ-VWYCJHECSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000639836808 356823293 /nfs/dbraw/zinc/82/32/93/356823293.db2.gz JNQUKHPMIDFXSZ-VWYCJHECSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000639834797 356824658 /nfs/dbraw/zinc/82/46/58/356824658.db2.gz CWTXPEYMFATUTE-BDAKNGLRSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000639834797 356824661 /nfs/dbraw/zinc/82/46/61/356824661.db2.gz CWTXPEYMFATUTE-BDAKNGLRSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@@H]1C[N@H+](CCn2cc(C)cn2)CCO1 ZINC000639834891 356824712 /nfs/dbraw/zinc/82/47/12/356824712.db2.gz YZSPGAAUUWAWAH-NSHDSACASA-N 1 2 225.292 0.496 20 0 BCADLO CO[C@@H]1C[N@@H+](CCn2cc(C)cn2)CCO1 ZINC000639834891 356824716 /nfs/dbraw/zinc/82/47/16/356824716.db2.gz YZSPGAAUUWAWAH-NSHDSACASA-N 1 2 225.292 0.496 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639837858 356827977 /nfs/dbraw/zinc/82/79/77/356827977.db2.gz CBGDIQNXZIXQPF-SNVBAGLBSA-N 1 2 234.303 0.750 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639837858 356827979 /nfs/dbraw/zinc/82/79/79/356827979.db2.gz CBGDIQNXZIXQPF-SNVBAGLBSA-N 1 2 234.303 0.750 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000639840122 356831713 /nfs/dbraw/zinc/83/17/13/356831713.db2.gz WAISSIKXGCUMKL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000639840122 356831716 /nfs/dbraw/zinc/83/17/16/356831716.db2.gz WAISSIKXGCUMKL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623368603 356868985 /nfs/dbraw/zinc/86/89/85/356868985.db2.gz QQIHXFGZJICMOY-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623368603 356868989 /nfs/dbraw/zinc/86/89/89/356868989.db2.gz QQIHXFGZJICMOY-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)NC1CC1 ZINC000054345794 363569320 /nfs/dbraw/zinc/56/93/20/363569320.db2.gz YVSPFHQJEYEQHG-QWRGUYRKSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)NC1CC1 ZINC000054345794 363569323 /nfs/dbraw/zinc/56/93/23/363569323.db2.gz YVSPFHQJEYEQHG-QWRGUYRKSA-N 1 2 224.304 0.518 20 0 BCADLO CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623371656 356880816 /nfs/dbraw/zinc/88/08/16/356880816.db2.gz MNFJNSYGPBLMGB-SECBINFHSA-N 1 2 207.277 0.890 20 0 BCADLO c1ncn(CC[N@@H+]2CCC[C@H]2c2ncccn2)n1 ZINC000639842372 356836545 /nfs/dbraw/zinc/83/65/45/356836545.db2.gz DEYWUJYJTCLLTR-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO c1ncn(CC[N@H+]2CCC[C@H]2c2ncccn2)n1 ZINC000639842372 356836548 /nfs/dbraw/zinc/83/65/48/356836548.db2.gz DEYWUJYJTCLLTR-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC000352044204 538713516 /nfs/dbraw/zinc/71/35/16/538713516.db2.gz GBAYQUYZSGWOQA-UHFFFAOYSA-N 1 2 225.292 0.572 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC000352044204 538713525 /nfs/dbraw/zinc/71/35/25/538713525.db2.gz GBAYQUYZSGWOQA-UHFFFAOYSA-N 1 2 225.292 0.572 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NC1CC1 ZINC000054345792 363569489 /nfs/dbraw/zinc/56/94/89/363569489.db2.gz YVSPFHQJEYEQHG-MNOVXSKESA-N 1 2 224.304 0.518 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NC1CC1 ZINC000054345792 363569491 /nfs/dbraw/zinc/56/94/91/363569491.db2.gz YVSPFHQJEYEQHG-MNOVXSKESA-N 1 2 224.304 0.518 20 0 BCADLO CCC[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623367759 356852044 /nfs/dbraw/zinc/85/20/44/356852044.db2.gz RQNZINBMCKXFHX-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CCC[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623367759 356852046 /nfs/dbraw/zinc/85/20/46/356852046.db2.gz RQNZINBMCKXFHX-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)nc1 ZINC000639850429 356853183 /nfs/dbraw/zinc/85/31/83/356853183.db2.gz VMPPGVANYIABLL-ZYHUDNBSSA-N 1 2 237.303 0.103 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)nc1 ZINC000639850429 356853185 /nfs/dbraw/zinc/85/31/85/356853185.db2.gz VMPPGVANYIABLL-ZYHUDNBSSA-N 1 2 237.303 0.103 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000450554278 202196178 /nfs/dbraw/zinc/19/61/78/202196178.db2.gz LNJCKVIOPPKFOF-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000450554278 202196182 /nfs/dbraw/zinc/19/61/82/202196182.db2.gz LNJCKVIOPPKFOF-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cncnc2)C1=O ZINC000353714222 538764991 /nfs/dbraw/zinc/76/49/91/538764991.db2.gz QDXRIGSFVKRKMS-JTQLQIEISA-N 1 2 220.276 0.139 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cncnc2)C1=O ZINC000353714222 538764999 /nfs/dbraw/zinc/76/49/99/538764999.db2.gz QDXRIGSFVKRKMS-JTQLQIEISA-N 1 2 220.276 0.139 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000399483919 356955291 /nfs/dbraw/zinc/95/52/91/356955291.db2.gz BNFPXNQYVVPXBO-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000399483919 356955295 /nfs/dbraw/zinc/95/52/95/356955295.db2.gz BNFPXNQYVVPXBO-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399507791 356960509 /nfs/dbraw/zinc/96/05/09/356960509.db2.gz MLXPTOSSZJBCJI-JTQLQIEISA-N 1 2 244.298 0.834 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)c(C)n1 ZINC000639871564 357036746 /nfs/dbraw/zinc/03/67/46/357036746.db2.gz LIHGKIVBIMGYEH-AWEZNQCLSA-N 1 2 249.358 0.807 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)c(C)n1 ZINC000639871564 357036750 /nfs/dbraw/zinc/03/67/50/357036750.db2.gz LIHGKIVBIMGYEH-AWEZNQCLSA-N 1 2 249.358 0.807 20 0 BCADLO CC[C@H](NC(=O)c1cc(=O)[nH]cn1)c1[nH]cc[nH+]1 ZINC000626483544 357046989 /nfs/dbraw/zinc/04/69/89/357046989.db2.gz FAFKGECFSBHVCI-ZETCQYMHSA-N 1 2 247.258 0.786 20 0 BCADLO O=C(Nc1cnns1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582362435 357102611 /nfs/dbraw/zinc/10/26/11/357102611.db2.gz HJGDMVMVJWBJSI-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cn[nH]c1)C(C)C ZINC000390589399 357106730 /nfs/dbraw/zinc/10/67/30/357106730.db2.gz RVADYRIFBLEFOS-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000355255799 538790435 /nfs/dbraw/zinc/79/04/35/538790435.db2.gz MSLSIGJYRVJZGC-WPRPVWTQSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000355255796 538791857 /nfs/dbraw/zinc/79/18/57/538791857.db2.gz MSLSIGJYRVJZGC-PSASIEDQSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000355274641 538793809 /nfs/dbraw/zinc/79/38/09/538793809.db2.gz XJEKJSMKKLCECT-FXPVBKGRSA-N 1 2 237.303 0.850 20 0 BCADLO CC(C)(CCO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000354928914 538787128 /nfs/dbraw/zinc/78/71/28/538787128.db2.gz GPBLXUOZZGTDPN-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)(CCO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000354928914 538787132 /nfs/dbraw/zinc/78/71/32/538787132.db2.gz GPBLXUOZZGTDPN-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO COC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000392366360 357147901 /nfs/dbraw/zinc/14/79/01/357147901.db2.gz HDCWOWDZAXLHLP-SSDOTTSWSA-N 1 2 214.269 0.271 20 0 BCADLO c1coc(C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000628387515 357158532 /nfs/dbraw/zinc/15/85/32/357158532.db2.gz UXCWWBSAHXFOMH-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000583689584 357120638 /nfs/dbraw/zinc/12/06/38/357120638.db2.gz AKJWKUKFJWNXKT-DTWKUNHWSA-N 1 2 211.265 0.977 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000583689584 357120641 /nfs/dbraw/zinc/12/06/41/357120641.db2.gz AKJWKUKFJWNXKT-DTWKUNHWSA-N 1 2 211.265 0.977 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000583691301 357121450 /nfs/dbraw/zinc/12/14/50/357121450.db2.gz KIVYRVYTQVLBSC-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000583691301 357121453 /nfs/dbraw/zinc/12/14/53/357121453.db2.gz KIVYRVYTQVLBSC-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO CN1C[C@@H](Nc2cc[nH+]c3ccncc23)CC1=O ZINC000582395642 357128009 /nfs/dbraw/zinc/12/80/09/357128009.db2.gz FMJICAAYGWMINZ-VIFPVBQESA-N 1 2 242.282 0.694 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1cnns1 ZINC000356762106 538815051 /nfs/dbraw/zinc/81/50/51/538815051.db2.gz GKYMQFYAOBGYOE-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1cnns1 ZINC000356762106 538815054 /nfs/dbraw/zinc/81/50/54/538815054.db2.gz GKYMQFYAOBGYOE-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000639894386 357230314 /nfs/dbraw/zinc/23/03/14/357230314.db2.gz OWLGVQHPVHMPQC-SNVBAGLBSA-N 1 2 221.260 0.908 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000639894386 357230315 /nfs/dbraw/zinc/23/03/15/357230315.db2.gz OWLGVQHPVHMPQC-SNVBAGLBSA-N 1 2 221.260 0.908 20 0 BCADLO O[C@H]1C[NH+](Cc2nc3c(s2)CCC3)C[C@@H]1O ZINC000628414686 357231695 /nfs/dbraw/zinc/23/16/95/357231695.db2.gz DWHXTFFKDYNYSC-IUCAKERBSA-N 1 2 240.328 0.169 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc[nH]c1=O ZINC000356752967 538816570 /nfs/dbraw/zinc/81/65/70/538816570.db2.gz DNLXMWYPCFHOHL-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000356800130 538818028 /nfs/dbraw/zinc/81/80/28/538818028.db2.gz JAUXDEDCSSYZFM-JTQLQIEISA-N 1 2 225.292 0.707 20 0 BCADLO Cn1c[nH+]cc1CNc1ncnc2ccncc21 ZINC000356959496 538820819 /nfs/dbraw/zinc/82/08/19/538820819.db2.gz FHUMIYAEZPAAPL-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000393774558 357298593 /nfs/dbraw/zinc/29/85/93/357298593.db2.gz LLGXQYPVPRYGAJ-NSHDSACASA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394014894 357315082 /nfs/dbraw/zinc/31/50/82/357315082.db2.gz IOVQEMUADQJENZ-VIFPVBQESA-N 1 2 225.292 0.549 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1ccn(C)n1 ZINC000582556169 357343069 /nfs/dbraw/zinc/34/30/69/357343069.db2.gz ULIXQKBXUHTDKG-VIFPVBQESA-N 1 2 247.302 0.985 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1ccn(C)n1 ZINC000582556169 357343075 /nfs/dbraw/zinc/34/30/75/357343075.db2.gz ULIXQKBXUHTDKG-VIFPVBQESA-N 1 2 247.302 0.985 20 0 BCADLO CC(C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000582674223 357361531 /nfs/dbraw/zinc/36/15/31/357361531.db2.gz GXZMUNKOPKZIBP-UHFFFAOYSA-N 1 2 214.309 0.215 20 0 BCADLO CC[N@H+](CC(=O)NC(=O)NC)Cc1ccoc1 ZINC000102409199 357388827 /nfs/dbraw/zinc/38/88/27/357388827.db2.gz IVMYTRRZJXAWMR-UHFFFAOYSA-N 1 2 239.275 0.557 20 0 BCADLO CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccoc1 ZINC000102409199 357388831 /nfs/dbraw/zinc/38/88/31/357388831.db2.gz IVMYTRRZJXAWMR-UHFFFAOYSA-N 1 2 239.275 0.557 20 0 BCADLO CCOCC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582899746 357425219 /nfs/dbraw/zinc/42/52/19/357425219.db2.gz FMHZLSRUVBAXBH-SNVBAGLBSA-N 1 2 213.281 0.287 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000583138532 357499358 /nfs/dbraw/zinc/49/93/58/357499358.db2.gz WPWRHRUXUVZBDK-LKEWCRSYSA-N 1 2 243.332 0.683 20 0 BCADLO Cc1nc(C[N@@H+](C)CCCC(=O)N(C)C)no1 ZINC000583180322 357505777 /nfs/dbraw/zinc/50/57/77/357505777.db2.gz YFRBFCQHQWCTHX-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO Cc1nc(C[N@H+](C)CCCC(=O)N(C)C)no1 ZINC000583180322 357505780 /nfs/dbraw/zinc/50/57/80/357505780.db2.gz YFRBFCQHQWCTHX-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000073387694 357513138 /nfs/dbraw/zinc/51/31/38/357513138.db2.gz FQUPKZPMCKDJIT-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO OCc1nnn2c1C[N@H+](CC1CCCC1)CC2 ZINC000583063152 357472112 /nfs/dbraw/zinc/47/21/12/357472112.db2.gz ZCDKYFUTSWATKG-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO OCc1nnn2c1C[N@@H+](CC1CCCC1)CC2 ZINC000583063152 357472116 /nfs/dbraw/zinc/47/21/16/357472116.db2.gz ZCDKYFUTSWATKG-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO CCc1cc(NCCc2nc(C)n[nH]2)nc(C)[nH+]1 ZINC000359710668 538857134 /nfs/dbraw/zinc/85/71/34/538857134.db2.gz YYBGFCSAZKCTIB-UHFFFAOYSA-N 1 2 246.318 0.850 20 0 BCADLO CCc1cc(NCCc2n[nH]c(C)n2)nc(C)[nH+]1 ZINC000359710668 538857136 /nfs/dbraw/zinc/85/71/36/538857136.db2.gz YYBGFCSAZKCTIB-UHFFFAOYSA-N 1 2 246.318 0.850 20 0 BCADLO Cc1cnn(CC(=O)NCCn2cc[nH+]c2)c1 ZINC000055009990 363583603 /nfs/dbraw/zinc/58/36/03/363583603.db2.gz AVCZYAGKXAFFOE-UHFFFAOYSA-N 1 2 233.275 0.204 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599008 325205877 /nfs/dbraw/zinc/20/58/77/325205877.db2.gz KCVHXYRNZQGLEF-GHMZBOCLSA-N 1 2 227.352 0.537 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cnn(C)c1 ZINC000189074424 357602974 /nfs/dbraw/zinc/60/29/74/357602974.db2.gz QLCKDGZGAZVFFE-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cnn(C)c1 ZINC000189074424 357602980 /nfs/dbraw/zinc/60/29/80/357602980.db2.gz QLCKDGZGAZVFFE-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000189650173 357655001 /nfs/dbraw/zinc/65/50/01/357655001.db2.gz FVFRNGLAEFHHEZ-NWDGAFQWSA-N 1 2 239.363 0.539 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCO)C1 ZINC000189349303 357633972 /nfs/dbraw/zinc/63/39/72/357633972.db2.gz CMCWUVFWPNTPNP-VHSXEESVSA-N 1 2 241.291 0.522 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCO)C1 ZINC000189349303 357633976 /nfs/dbraw/zinc/63/39/76/357633976.db2.gz CMCWUVFWPNTPNP-VHSXEESVSA-N 1 2 241.291 0.522 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nnc(C)o1 ZINC000190259043 357698333 /nfs/dbraw/zinc/69/83/33/357698333.db2.gz IQWFKZYZTOAPTL-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nnc(C)o1 ZINC000190259043 357698335 /nfs/dbraw/zinc/69/83/35/357698335.db2.gz IQWFKZYZTOAPTL-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO CC[C@@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000190385406 357705230 /nfs/dbraw/zinc/70/52/30/357705230.db2.gz VWIKANJBQUUMPC-LLVKDONJSA-N 1 2 228.336 0.871 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191156747 357738700 /nfs/dbraw/zinc/73/87/00/357738700.db2.gz DKRITAJHTWFPMW-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CCCN(C)C(=O)C1 ZINC000191156747 357738701 /nfs/dbraw/zinc/73/87/01/357738701.db2.gz DKRITAJHTWFPMW-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191109711 357750913 /nfs/dbraw/zinc/75/09/13/357750913.db2.gz DRYZGGJKZSFAHI-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191109711 357750916 /nfs/dbraw/zinc/75/09/16/357750916.db2.gz DRYZGGJKZSFAHI-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191109728 357751051 /nfs/dbraw/zinc/75/10/51/357751051.db2.gz DRYZGGJKZSFAHI-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191109728 357751052 /nfs/dbraw/zinc/75/10/52/357751052.db2.gz DRYZGGJKZSFAHI-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCC(OC)CC1)[C@@H](C)O ZINC000191964738 357807263 /nfs/dbraw/zinc/80/72/63/357807263.db2.gz FNKWOXONXGBKNT-AGVGLQIMSA-N 1 2 245.319 0.456 20 0 BCADLO COCc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000234723465 357820434 /nfs/dbraw/zinc/82/04/34/357820434.db2.gz RDGNTENULLATSM-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000583296785 357868468 /nfs/dbraw/zinc/86/84/68/357868468.db2.gz WLEODAINNCGYAG-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2COCC2(C)C)C1 ZINC000584420313 357917583 /nfs/dbraw/zinc/91/75/83/357917583.db2.gz FJNDSMLRRUYEPB-JTQLQIEISA-N 1 2 240.347 0.869 20 0 BCADLO COCC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448918 357942569 /nfs/dbraw/zinc/94/25/69/357942569.db2.gz NQEGFDFGEWYJTO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448918 357942572 /nfs/dbraw/zinc/94/25/72/357942572.db2.gz NQEGFDFGEWYJTO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000610486659 357951837 /nfs/dbraw/zinc/95/18/37/357951837.db2.gz SCHHHBKLPBRSTJ-XIZWVBILSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000610486659 357951840 /nfs/dbraw/zinc/95/18/40/357951840.db2.gz SCHHHBKLPBRSTJ-XIZWVBILSA-N 1 2 244.360 0.108 20 0 BCADLO CCc1cnc(C[NH2+][C@](C)(CO)COC)o1 ZINC000639956141 357978295 /nfs/dbraw/zinc/97/82/95/357978295.db2.gz UWMUJKINCSGDHL-LLVKDONJSA-N 1 2 228.292 0.724 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nc(C)c(C)o1 ZINC000639955879 357978467 /nfs/dbraw/zinc/97/84/67/357978467.db2.gz SWDRGPYQVDDYNY-NSHDSACASA-N 1 2 228.292 0.778 20 0 BCADLO O=S1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000610569981 357993713 /nfs/dbraw/zinc/99/37/13/357993713.db2.gz JOBIYSVUDSXCGO-VIFPVBQESA-N 1 2 203.307 0.230 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccnn1C ZINC000639967669 358021013 /nfs/dbraw/zinc/02/10/13/358021013.db2.gz KIQHJNBGJWKUAG-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000639969131 358021938 /nfs/dbraw/zinc/02/19/38/358021938.db2.gz UYYRAMJSFLPIQI-SECBINFHSA-N 1 2 224.308 0.627 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000639969131 358021940 /nfs/dbraw/zinc/02/19/40/358021940.db2.gz UYYRAMJSFLPIQI-SECBINFHSA-N 1 2 224.308 0.627 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC[C@H](C)O ZINC000220096025 358024264 /nfs/dbraw/zinc/02/42/64/358024264.db2.gz ICPCFCFNOLNPMD-ZETCQYMHSA-N 1 2 226.280 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC[C@H](C)O ZINC000220096025 358024267 /nfs/dbraw/zinc/02/42/67/358024267.db2.gz ICPCFCFNOLNPMD-ZETCQYMHSA-N 1 2 226.280 0.275 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639971747 358031236 /nfs/dbraw/zinc/03/12/36/358031236.db2.gz HEDKTJKJVQIBMB-NSHDSACASA-N 1 2 246.318 0.929 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639971747 358031240 /nfs/dbraw/zinc/03/12/40/358031240.db2.gz HEDKTJKJVQIBMB-NSHDSACASA-N 1 2 246.318 0.929 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)[C@@](C)(CO)C1 ZINC000640004879 358051777 /nfs/dbraw/zinc/05/17/77/358051777.db2.gz OPVQQJUSBUYSBF-GXSJLCMTSA-N 1 2 240.307 0.085 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)[C@@](C)(CO)C1 ZINC000640004879 358051780 /nfs/dbraw/zinc/05/17/80/358051780.db2.gz OPVQQJUSBUYSBF-GXSJLCMTSA-N 1 2 240.307 0.085 20 0 BCADLO CO[C@H]1C[N@H+](CC(F)F)[C@](C)(CO)C1 ZINC000640004547 358054738 /nfs/dbraw/zinc/05/47/38/358054738.db2.gz SHFUXPBORXFJLR-APPZFPTMSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H]1C[N@@H+](CC(F)F)[C@](C)(CO)C1 ZINC000640004547 358054742 /nfs/dbraw/zinc/05/47/42/358054742.db2.gz SHFUXPBORXFJLR-APPZFPTMSA-N 1 2 209.236 0.723 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051887780 358090313 /nfs/dbraw/zinc/09/03/13/358090313.db2.gz PGUJDLSFIWJSRV-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051887780 358090317 /nfs/dbraw/zinc/09/03/17/358090317.db2.gz PGUJDLSFIWJSRV-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO CCn1ccnc1C[N@H+](C)CCC(=O)NC ZINC000170781094 134254057 /nfs/dbraw/zinc/25/40/57/134254057.db2.gz ZUMWPJQBSJRRAE-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1ccnc1C[N@@H+](C)CCC(=O)NC ZINC000170781094 134254058 /nfs/dbraw/zinc/25/40/58/134254058.db2.gz ZUMWPJQBSJRRAE-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nccn1CC ZINC000051921532 358101359 /nfs/dbraw/zinc/10/13/59/358101359.db2.gz RYXBBJZBFFRRFL-SECBINFHSA-N 1 2 224.308 0.517 20 0 BCADLO COC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000171429997 134258272 /nfs/dbraw/zinc/25/82/72/134258272.db2.gz VRQFSMOTKJXNLP-VIFPVBQESA-N 1 2 211.265 0.282 20 0 BCADLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368328617 181295469 /nfs/dbraw/zinc/29/54/69/181295469.db2.gz ISNLJTKMYUEGKJ-NWDGAFQWSA-N 1 2 232.283 0.759 20 0 BCADLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368328617 181295470 /nfs/dbraw/zinc/29/54/70/181295470.db2.gz ISNLJTKMYUEGKJ-NWDGAFQWSA-N 1 2 232.283 0.759 20 0 BCADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csnn1)C2 ZINC000640074518 358172717 /nfs/dbraw/zinc/17/27/17/358172717.db2.gz CKEYDMJCCQWUDB-JEZHCXPESA-N 1 2 225.317 0.883 20 0 BCADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csnn1)C2 ZINC000640074518 358172720 /nfs/dbraw/zinc/17/27/20/358172720.db2.gz CKEYDMJCCQWUDB-JEZHCXPESA-N 1 2 225.317 0.883 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584722772 358158825 /nfs/dbraw/zinc/15/88/25/358158825.db2.gz QKRZFLXOTVPVTR-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450656546 202227981 /nfs/dbraw/zinc/22/79/81/202227981.db2.gz KBEWUFBNJRNXQT-GXSJLCMTSA-N 1 2 231.292 0.333 20 0 BCADLO CC(C)c1nc(N2CCOC[C@H](O)C2)cc[nH+]1 ZINC000450654618 202229116 /nfs/dbraw/zinc/22/91/16/202229116.db2.gz XLIAMHXCXWEBKU-SNVBAGLBSA-N 1 2 237.303 0.798 20 0 BCADLO CC[C@H](O)C[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829185 358211313 /nfs/dbraw/zinc/21/13/13/358211313.db2.gz VRLQBXCFKQQHHN-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@H](O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829185 358211316 /nfs/dbraw/zinc/21/13/16/358211316.db2.gz VRLQBXCFKQQHHN-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623423815 358218003 /nfs/dbraw/zinc/21/80/03/358218003.db2.gz SSWDGQYFRGLBNR-MXWKQRLJSA-N 1 2 241.335 0.272 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623423815 358218007 /nfs/dbraw/zinc/21/80/07/358218007.db2.gz SSWDGQYFRGLBNR-MXWKQRLJSA-N 1 2 241.335 0.272 20 0 BCADLO CC(C)[C@@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450692312 202233544 /nfs/dbraw/zinc/23/35/44/202233544.db2.gz ABXLWCJSYSZQFI-MNOVXSKESA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450692312 202233547 /nfs/dbraw/zinc/23/35/47/202233547.db2.gz ABXLWCJSYSZQFI-MNOVXSKESA-N 1 2 249.376 0.776 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)CCOC1 ZINC000547482172 325361380 /nfs/dbraw/zinc/36/13/80/325361380.db2.gz ZLQJCDZUXAMSDG-GFCCVEGCSA-N 1 2 237.303 0.505 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1cccn1 ZINC000069867435 491125820 /nfs/dbraw/zinc/12/58/20/491125820.db2.gz UHHMWYMUZGQSTB-JTQLQIEISA-N 1 2 245.348 0.248 20 0 BCADLO CC1(O)C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000084356697 491126761 /nfs/dbraw/zinc/12/67/61/491126761.db2.gz NFQLTQBBONSKGO-UHFFFAOYSA-N 1 2 220.272 0.352 20 0 BCADLO CC[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCO1 ZINC000450726169 202246971 /nfs/dbraw/zinc/24/69/71/202246971.db2.gz KHGJFMHBWKLTRP-UWVGGRQHSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CCCO1 ZINC000450726169 202246973 /nfs/dbraw/zinc/24/69/73/202246973.db2.gz KHGJFMHBWKLTRP-UWVGGRQHSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCO1 ZINC000450726171 202247072 /nfs/dbraw/zinc/24/70/72/202247072.db2.gz KHGJFMHBWKLTRP-ZJUUUORDSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CCCO1 ZINC000450726171 202247073 /nfs/dbraw/zinc/24/70/73/202247073.db2.gz KHGJFMHBWKLTRP-ZJUUUORDSA-N 1 2 210.281 0.852 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000173453092 134274183 /nfs/dbraw/zinc/27/41/83/134274183.db2.gz XCLZDGOTFFANOP-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000173453092 134274184 /nfs/dbraw/zinc/27/41/84/134274184.db2.gz XCLZDGOTFFANOP-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177321 491128760 /nfs/dbraw/zinc/12/87/60/491128760.db2.gz FOGSQDWYWROECK-YUMQZZPRSA-N 1 2 243.307 0.069 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177321 491128761 /nfs/dbraw/zinc/12/87/61/491128761.db2.gz FOGSQDWYWROECK-YUMQZZPRSA-N 1 2 243.307 0.069 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)[C@@H](C)CO ZINC000228680632 358382467 /nfs/dbraw/zinc/38/24/67/358382467.db2.gz MMOLOIWJLAFABY-BQBZGAKWSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)[C@@H](C)CO ZINC000228680632 358382470 /nfs/dbraw/zinc/38/24/70/358382470.db2.gz MMOLOIWJLAFABY-BQBZGAKWSA-N 1 2 226.280 0.496 20 0 BCADLO Cc1ncc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1 ZINC000180369145 366435960 /nfs/dbraw/zinc/43/59/60/366435960.db2.gz JSBHLINXEIUVFS-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174477091 134281765 /nfs/dbraw/zinc/28/17/65/134281765.db2.gz GOKOSNXWTDWJIU-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH]cc[nH+]1 ZINC000385503704 358575684 /nfs/dbraw/zinc/57/56/84/358575684.db2.gz FQNLVTYFVVDBOX-RGOKHQFPSA-N 1 2 235.287 0.869 20 0 BCADLO CCOC(=O)C[N@H+](CC(=O)N(C)C)C(C)(C)C ZINC000130792877 358644375 /nfs/dbraw/zinc/64/43/75/358644375.db2.gz AVCLGTREQKHMSD-UHFFFAOYSA-N 1 2 244.335 0.738 20 0 BCADLO CCOC(=O)C[N@@H+](CC(=O)N(C)C)C(C)(C)C ZINC000130792877 358644378 /nfs/dbraw/zinc/64/43/78/358644378.db2.gz AVCLGTREQKHMSD-UHFFFAOYSA-N 1 2 244.335 0.738 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000081570937 491135393 /nfs/dbraw/zinc/13/53/93/491135393.db2.gz CSRIPQPCQYDLDG-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000081570937 491135394 /nfs/dbraw/zinc/13/53/94/491135394.db2.gz CSRIPQPCQYDLDG-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2ccn(C)n2)[nH]1 ZINC000213157655 358670730 /nfs/dbraw/zinc/67/07/30/358670730.db2.gz XDZPFUMPXPBYKZ-UHFFFAOYSA-N 1 2 248.286 0.825 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nccn1C ZINC000132120549 358708911 /nfs/dbraw/zinc/70/89/11/358708911.db2.gz VOVRKVQMMNRMIN-RNFRBKRXSA-N 1 2 237.225 0.994 20 0 BCADLO CCCCNC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000050418382 358729760 /nfs/dbraw/zinc/72/97/60/358729760.db2.gz HYZFSVGZOGZPIT-SECBINFHSA-N 1 2 239.323 0.382 20 0 BCADLO C[C@@H](CC(N)=O)Nc1[nH+]cnc2c1cnn2C ZINC000135018978 358816580 /nfs/dbraw/zinc/81/65/80/358816580.db2.gz YASKRNBQKRSVFO-LURJTMIESA-N 1 2 234.263 0.039 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCO2)n1C ZINC000052441932 358782569 /nfs/dbraw/zinc/78/25/69/358782569.db2.gz MKHJLSCDRLNBRW-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)n1C ZINC000052441932 358782572 /nfs/dbraw/zinc/78/25/72/358782572.db2.gz MKHJLSCDRLNBRW-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO CCC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000054403704 358863226 /nfs/dbraw/zinc/86/32/26/358863226.db2.gz QAYWNYGNMMBPBA-UHFFFAOYSA-N 1 2 228.336 0.559 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135506612 358841062 /nfs/dbraw/zinc/84/10/62/358841062.db2.gz QYLHBHZVKVDJGC-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135506612 358841064 /nfs/dbraw/zinc/84/10/64/358841064.db2.gz QYLHBHZVKVDJGC-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cncc(O)c1 ZINC000135554510 358844293 /nfs/dbraw/zinc/84/42/93/358844293.db2.gz SQVRUEYYESAWGW-UHFFFAOYSA-N 1 2 232.243 0.483 20 0 BCADLO COC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135559890 358844520 /nfs/dbraw/zinc/84/45/20/358844520.db2.gz BRXXNCRLEUBVRD-JTQLQIEISA-N 1 2 237.303 0.902 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135559890 358844522 /nfs/dbraw/zinc/84/45/22/358844522.db2.gz BRXXNCRLEUBVRD-JTQLQIEISA-N 1 2 237.303 0.902 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000135939898 358856957 /nfs/dbraw/zinc/85/69/57/358856957.db2.gz UKSVPWXBBPXDFG-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO CC[C@H](NC(=O)COCCOC)c1[nH]cc[nH+]1 ZINC000140622072 358923387 /nfs/dbraw/zinc/92/33/87/358923387.db2.gz SSWGZMMDOLLRIO-VIFPVBQESA-N 1 2 241.291 0.640 20 0 BCADLO CC[C@H](NC(=O)CCn1cncn1)c1[nH]cc[nH+]1 ZINC000140537462 358923494 /nfs/dbraw/zinc/92/34/94/358923494.db2.gz KYCQYUDSZCPLLB-VIFPVBQESA-N 1 2 248.290 0.659 20 0 BCADLO Cc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cnn1C ZINC000070979506 359068994 /nfs/dbraw/zinc/06/89/94/359068994.db2.gz GLDRYUGBVJZMNV-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO COc1ncccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990179 359069666 /nfs/dbraw/zinc/06/96/66/359069666.db2.gz PFAZFPBINUUXFJ-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO CC1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000054104246 359107151 /nfs/dbraw/zinc/10/71/51/359107151.db2.gz OXDGBOCANISTLF-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC1CCN(C(=O)C[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000054104246 359107154 /nfs/dbraw/zinc/10/71/54/359107154.db2.gz OXDGBOCANISTLF-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCO1 ZINC000611208801 359111917 /nfs/dbraw/zinc/11/19/17/359111917.db2.gz SBTFXCJSQOQQNW-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000611208801 359111923 /nfs/dbraw/zinc/11/19/23/359111923.db2.gz SBTFXCJSQOQQNW-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)on1 ZINC000070650738 359061939 /nfs/dbraw/zinc/06/19/39/359061939.db2.gz KVWIIBOWUIXHNA-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)C ZINC000074916994 359135064 /nfs/dbraw/zinc/13/50/64/359135064.db2.gz ZWCPWBPNLLALOD-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246490300 359143497 /nfs/dbraw/zinc/14/34/97/359143497.db2.gz HCTBUWLLMWDWNK-KXUCPTDWSA-N 1 2 219.288 0.970 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246599499 359149707 /nfs/dbraw/zinc/14/97/07/359149707.db2.gz ZMJIMVYSVCQWJA-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246599499 359149710 /nfs/dbraw/zinc/14/97/10/359149710.db2.gz ZMJIMVYSVCQWJA-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCO1 ZINC000246658067 359154950 /nfs/dbraw/zinc/15/49/50/359154950.db2.gz RRKFXLNPVRRAED-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCO1 ZINC000246658067 359154955 /nfs/dbraw/zinc/15/49/55/359154955.db2.gz RRKFXLNPVRRAED-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246734275 359159926 /nfs/dbraw/zinc/15/99/26/359159926.db2.gz LNZGSHVBRFFPGM-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246734275 359159929 /nfs/dbraw/zinc/15/99/29/359159929.db2.gz LNZGSHVBRFFPGM-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246759359 359162976 /nfs/dbraw/zinc/16/29/76/359162976.db2.gz KCFYSGHVAFUIPV-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246759359 359162983 /nfs/dbraw/zinc/16/29/83/359162983.db2.gz KCFYSGHVAFUIPV-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000247926780 359249298 /nfs/dbraw/zinc/24/92/98/359249298.db2.gz BBZZJRNCYRMUFD-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000247926780 359249303 /nfs/dbraw/zinc/24/93/03/359249303.db2.gz BBZZJRNCYRMUFD-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO COCC[NH+](CCOC)Cc1nc(C)no1 ZINC000248010845 359251028 /nfs/dbraw/zinc/25/10/28/359251028.db2.gz IZESXSVTUIRVGR-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000248179008 359257459 /nfs/dbraw/zinc/25/74/59/359257459.db2.gz XJNUXQKZLZBLFP-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000248179008 359257466 /nfs/dbraw/zinc/25/74/66/359257466.db2.gz XJNUXQKZLZBLFP-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000308889662 491139757 /nfs/dbraw/zinc/13/97/57/491139757.db2.gz XSSIOMNDZMCGQH-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H]2COC[C@H]2O)cs1 ZINC000285979661 359348201 /nfs/dbraw/zinc/34/82/01/359348201.db2.gz NYHGZCZGUPJKRV-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cs1 ZINC000285979661 359348208 /nfs/dbraw/zinc/34/82/08/359348208.db2.gz NYHGZCZGUPJKRV-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](O)C1CC1 ZINC000611794746 359452671 /nfs/dbraw/zinc/45/26/71/359452671.db2.gz KQBYAXDJEKOXPJ-SECBINFHSA-N 1 2 209.249 0.105 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)n1cccn1 ZINC000611794881 359452766 /nfs/dbraw/zinc/45/27/66/359452766.db2.gz LZWJNOVJOPTNJZ-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611853060 359460099 /nfs/dbraw/zinc/46/00/99/359460099.db2.gz NCNDFQWPBWESGG-DTWKUNHWSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611853060 359460104 /nfs/dbraw/zinc/46/01/04/359460104.db2.gz NCNDFQWPBWESGG-DTWKUNHWSA-N 1 2 237.303 0.354 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000332972132 359534109 /nfs/dbraw/zinc/53/41/09/359534109.db2.gz MHRWYSQAQBEOEC-ZYHUDNBSSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000332972130 359534155 /nfs/dbraw/zinc/53/41/55/359534155.db2.gz MHRWYSQAQBEOEC-CMPLNLGQSA-N 1 2 249.314 0.739 20 0 BCADLO CC(C)c1nc(N2CC(=O)N[C@H](C)C2)cc[nH+]1 ZINC000450783640 202265982 /nfs/dbraw/zinc/26/59/82/202265982.db2.gz DLNJPCAXRMCCIO-SECBINFHSA-N 1 2 234.303 0.925 20 0 BCADLO CCOCCO[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000057394577 359687607 /nfs/dbraw/zinc/68/76/07/359687607.db2.gz KEKOZJHGLPUFPE-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO Cc1nc(N2CC(=O)N[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000450783497 202266900 /nfs/dbraw/zinc/26/69/00/202266900.db2.gz CYZLCRGZGWJLBE-SSDOTTSWSA-N 1 2 234.303 0.727 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N2)c(C)[nH+]1 ZINC000612226944 359740520 /nfs/dbraw/zinc/74/05/20/359740520.db2.gz OWVNPTXEKIDJGW-VIFPVBQESA-N 1 2 219.244 0.525 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CCNC2=O)c(C)[nH+]1 ZINC000612227845 359740708 /nfs/dbraw/zinc/74/07/08/359740708.db2.gz YIDYOOHCMZXYOM-VIFPVBQESA-N 1 2 233.271 0.773 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000450890162 202300761 /nfs/dbraw/zinc/30/07/61/202300761.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450890162 202300763 /nfs/dbraw/zinc/30/07/63/202300763.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000450890162 202300766 /nfs/dbraw/zinc/30/07/66/202300766.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450890162 202300770 /nfs/dbraw/zinc/30/07/70/202300770.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450890162 202300774 /nfs/dbraw/zinc/30/07/74/202300774.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450890162 202300778 /nfs/dbraw/zinc/30/07/78/202300778.db2.gz UJNVUKJFPRHTIP-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)nc1 ZINC000578376353 366543950 /nfs/dbraw/zinc/54/39/50/366543950.db2.gz ZDNVWUIGMIBGPO-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)nc1 ZINC000578376353 366543957 /nfs/dbraw/zinc/54/39/57/366543957.db2.gz ZDNVWUIGMIBGPO-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO CNc1nc(N[C@H]2C[C@@H](O)C2)[nH+]c2ccccc21 ZINC000450920876 202310069 /nfs/dbraw/zinc/31/00/69/202310069.db2.gz BQMGJTSLBNVCIK-DTORHVGOSA-N 1 2 244.298 0.451 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000450921203 202310755 /nfs/dbraw/zinc/31/07/55/202310755.db2.gz FKYCOGOSTDLACG-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000450921203 202310759 /nfs/dbraw/zinc/31/07/59/202310759.db2.gz FKYCOGOSTDLACG-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CCC(CC)([NH2+]CC1(CO)COC1)C(=O)OC ZINC000578382517 366547827 /nfs/dbraw/zinc/54/78/27/366547827.db2.gz GDCZRSMLUOPYPR-UHFFFAOYSA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@H](Nc1nc[nH+]c(N)c1Cl)C(=O)NC ZINC000450936876 202315349 /nfs/dbraw/zinc/31/53/49/202315349.db2.gz GKOQPLTUEUSSKO-YFKPBYRVSA-N 1 2 243.698 0.649 20 0 BCADLO CC[C@H](Nc1[nH+]cnc(N)c1Cl)C(=O)NC ZINC000450936876 202315352 /nfs/dbraw/zinc/31/53/52/202315352.db2.gz GKOQPLTUEUSSKO-YFKPBYRVSA-N 1 2 243.698 0.649 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1CC(=O)C1 ZINC000578378391 366543730 /nfs/dbraw/zinc/54/37/30/366543730.db2.gz BNRIYYNFCQHBBP-UHFFFAOYSA-N 1 2 221.260 0.498 20 0 BCADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)O ZINC000578452926 366573812 /nfs/dbraw/zinc/57/38/12/366573812.db2.gz YOBPHGUESXXLIB-JTQLQIEISA-N 1 2 242.363 0.994 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612459334 359850613 /nfs/dbraw/zinc/85/06/13/359850613.db2.gz QLWQGFKWNQAIPC-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612459334 359850617 /nfs/dbraw/zinc/85/06/17/359850617.db2.gz QLWQGFKWNQAIPC-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060948 202344488 /nfs/dbraw/zinc/34/44/88/202344488.db2.gz KMBHUKZNHGQMFU-NQBHXWOUSA-N 1 2 249.362 0.967 20 0 BCADLO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060948 202344492 /nfs/dbraw/zinc/34/44/92/202344492.db2.gz KMBHUKZNHGQMFU-NQBHXWOUSA-N 1 2 249.362 0.967 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451143440 202366325 /nfs/dbraw/zinc/36/63/25/202366325.db2.gz YHTZQRCUOMFHTJ-VIFPVBQESA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451143440 202366327 /nfs/dbraw/zinc/36/63/27/202366327.db2.gz YHTZQRCUOMFHTJ-VIFPVBQESA-N 1 2 243.351 0.343 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000451156876 202367151 /nfs/dbraw/zinc/36/71/51/202367151.db2.gz GLTRBPYRZWLKAQ-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000451156876 202367153 /nfs/dbraw/zinc/36/71/53/202367153.db2.gz GLTRBPYRZWLKAQ-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NCc1ccco1 ZINC000451181375 202370190 /nfs/dbraw/zinc/37/01/90/202370190.db2.gz FHGVSXGMMVRGEN-VIFPVBQESA-N 1 2 226.251 0.940 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NCc1ccco1 ZINC000451181375 202370193 /nfs/dbraw/zinc/37/01/93/202370193.db2.gz FHGVSXGMMVRGEN-VIFPVBQESA-N 1 2 226.251 0.940 20 0 BCADLO CCN(C)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451118496 202356111 /nfs/dbraw/zinc/35/61/11/202356111.db2.gz ABGMXGYSGDPURQ-UHFFFAOYSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451118496 202356115 /nfs/dbraw/zinc/35/61/15/202356115.db2.gz ABGMXGYSGDPURQ-UHFFFAOYSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)[N@H+](CC(=O)N1CCCC1)C1COC1 ZINC000451119318 202358574 /nfs/dbraw/zinc/35/85/74/202358574.db2.gz CLWQRJXOEQMMHM-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)[N@@H+](CC(=O)N1CCCC1)C1COC1 ZINC000451119318 202358576 /nfs/dbraw/zinc/35/85/76/202358576.db2.gz CLWQRJXOEQMMHM-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO COCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000612518886 359876779 /nfs/dbraw/zinc/87/67/79/359876779.db2.gz DWCSOGUGULNUAA-NXEZZACHSA-N 1 2 249.314 0.819 20 0 BCADLO C(C[NH+]1CCOCC1)N(C1CC1)C1COC1 ZINC000451124137 202359507 /nfs/dbraw/zinc/35/95/07/202359507.db2.gz CVFKMHFSXIVGFF-UHFFFAOYSA-N 1 2 226.320 0.182 20 0 BCADLO O[C@H](C[N@H+](C1CC1)C1COC1)C(F)(F)F ZINC000451124037 202361539 /nfs/dbraw/zinc/36/15/39/202361539.db2.gz GEOBVXDAUUIJAV-MRVPVSSYSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](C[N@@H+](C1CC1)C1COC1)C(F)(F)F ZINC000451124037 202361543 /nfs/dbraw/zinc/36/15/43/202361543.db2.gz GEOBVXDAUUIJAV-MRVPVSSYSA-N 1 2 225.210 0.773 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)N1CCCCC1 ZINC000451131119 202363651 /nfs/dbraw/zinc/36/36/51/202363651.db2.gz PPERZBRAVPQCOM-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)N1CCCCC1 ZINC000451131119 202363653 /nfs/dbraw/zinc/36/36/53/202363653.db2.gz PPERZBRAVPQCOM-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451190394 202372232 /nfs/dbraw/zinc/37/22/32/202372232.db2.gz QGDQJWHBPAXCHB-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451190394 202372236 /nfs/dbraw/zinc/37/22/36/202372236.db2.gz QGDQJWHBPAXCHB-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NCC1CCC1 ZINC000451189838 202373131 /nfs/dbraw/zinc/37/31/31/202373131.db2.gz PXEUBCRFMFNRBX-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NCC1CCC1 ZINC000451189838 202373133 /nfs/dbraw/zinc/37/31/33/202373133.db2.gz PXEUBCRFMFNRBX-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000451187176 202374021 /nfs/dbraw/zinc/37/40/21/202374021.db2.gz CPAILWFNYQEOJP-BDAKNGLRSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000451187176 202374023 /nfs/dbraw/zinc/37/40/23/202374023.db2.gz CPAILWFNYQEOJP-BDAKNGLRSA-N 1 2 201.241 0.982 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613989741 363703063 /nfs/dbraw/zinc/70/30/63/363703063.db2.gz LOTYTIWETBVBQM-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613989741 363703066 /nfs/dbraw/zinc/70/30/66/363703066.db2.gz LOTYTIWETBVBQM-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CC[N@H+](CC(=O)N(C)CC1CC1)C1COC1 ZINC000451289406 202396504 /nfs/dbraw/zinc/39/65/04/202396504.db2.gz VYARKOTWJUJVOB-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@@H+](CC(=O)N(C)CC1CC1)C1COC1 ZINC000451289406 202396507 /nfs/dbraw/zinc/39/65/07/202396507.db2.gz VYARKOTWJUJVOB-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1COC1 ZINC000451288906 202397414 /nfs/dbraw/zinc/39/74/14/202397414.db2.gz UQJHTEZAJYHLHV-JTQLQIEISA-N 1 2 228.336 0.868 20 0 BCADLO CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1COC1 ZINC000451288906 202397416 /nfs/dbraw/zinc/39/74/16/202397416.db2.gz UQJHTEZAJYHLHV-JTQLQIEISA-N 1 2 228.336 0.868 20 0 BCADLO Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cn1 ZINC000578585512 366601472 /nfs/dbraw/zinc/60/14/72/366601472.db2.gz JWXRZAGXKOPZFQ-UHFFFAOYSA-N 1 2 238.272 0.914 20 0 BCADLO CCc1nnc(C[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000451258322 202388962 /nfs/dbraw/zinc/38/89/62/202388962.db2.gz WPQOGWFGHDZKGN-UHFFFAOYSA-N 1 2 226.324 0.817 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000451258322 202388964 /nfs/dbraw/zinc/38/89/64/202388964.db2.gz WPQOGWFGHDZKGN-UHFFFAOYSA-N 1 2 226.324 0.817 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnnc(C)c1 ZINC000578667062 366624651 /nfs/dbraw/zinc/62/46/51/366624651.db2.gz FNPUGTIEEVEGCT-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnccn1 ZINC000578710922 366629379 /nfs/dbraw/zinc/62/93/79/366629379.db2.gz ORXMOYNZGURKEY-UHFFFAOYSA-N 1 2 208.265 0.172 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnccn1 ZINC000578710922 366629385 /nfs/dbraw/zinc/62/93/85/366629385.db2.gz ORXMOYNZGURKEY-UHFFFAOYSA-N 1 2 208.265 0.172 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cnc(N)s1 ZINC000088094667 359937397 /nfs/dbraw/zinc/93/73/97/359937397.db2.gz FCRAALFBACGKFN-HTQZYQBOSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cnc(N)s1 ZINC000088094667 359937400 /nfs/dbraw/zinc/93/74/00/359937400.db2.gz FCRAALFBACGKFN-HTQZYQBOSA-N 1 2 243.332 0.307 20 0 BCADLO O=C(Nc1ccc2n[nH]cc2c1)[C@H]1COCC[NH2+]1 ZINC000088358568 359948238 /nfs/dbraw/zinc/94/82/38/359948238.db2.gz CZBITRAUHVWQLY-LLVKDONJSA-N 1 2 246.270 0.490 20 0 BCADLO COCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000578784335 366649047 /nfs/dbraw/zinc/64/90/47/366649047.db2.gz IEQRYZURMZVHAQ-VIFPVBQESA-N 1 2 225.292 0.693 20 0 BCADLO COCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000578784335 366649054 /nfs/dbraw/zinc/64/90/54/366649054.db2.gz IEQRYZURMZVHAQ-VIFPVBQESA-N 1 2 225.292 0.693 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC12CC2 ZINC000578879350 366666113 /nfs/dbraw/zinc/66/61/13/366666113.db2.gz NKUBVPLQQJPBQO-SNVBAGLBSA-N 1 2 239.319 0.170 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CC12CC2 ZINC000578879349 366666307 /nfs/dbraw/zinc/66/63/07/366666307.db2.gz NKUBVPLQQJPBQO-JTQLQIEISA-N 1 2 239.319 0.170 20 0 BCADLO CCn1ncnc1C[N@H+](CC)CCC(=O)OC ZINC000088619362 359970409 /nfs/dbraw/zinc/97/04/09/359970409.db2.gz KYCQQGRVWAIUFW-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)CCC(=O)OC ZINC000088619362 359970412 /nfs/dbraw/zinc/97/04/12/359970412.db2.gz KYCQQGRVWAIUFW-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO COC(=O)[C@H](C1CC1)N(C)Cc1[nH+]ccn1C ZINC000088796506 359979369 /nfs/dbraw/zinc/97/93/69/359979369.db2.gz BYJGJVLYPOYROT-NSHDSACASA-N 1 2 237.303 0.804 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H](C(=O)OC)C1CC1 ZINC000088796057 359979602 /nfs/dbraw/zinc/97/96/02/359979602.db2.gz QAOMTEVQUPTVTH-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H](C(=O)OC)C1CC1 ZINC000088796057 359979604 /nfs/dbraw/zinc/97/96/04/359979604.db2.gz QAOMTEVQUPTVTH-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](O)C1CC1 ZINC000612697688 360014392 /nfs/dbraw/zinc/01/43/92/360014392.db2.gz XYFDOJIWASSVAW-LDYMZIIASA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](O)C1CC1 ZINC000612697688 360014394 /nfs/dbraw/zinc/01/43/94/360014394.db2.gz XYFDOJIWASSVAW-LDYMZIIASA-N 1 2 235.287 0.154 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678741 360033818 /nfs/dbraw/zinc/03/38/18/360033818.db2.gz WMSBWFJWIYLKAS-SNVBAGLBSA-N 1 2 240.347 0.700 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084877 360100907 /nfs/dbraw/zinc/10/09/07/360100907.db2.gz HSYIVTXMOCONOE-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084877 360100913 /nfs/dbraw/zinc/10/09/13/360100913.db2.gz HSYIVTXMOCONOE-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)NC1CC1 ZINC000090007441 360052816 /nfs/dbraw/zinc/05/28/16/360052816.db2.gz FHZHIXKDDPFSGA-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)NC1CC1 ZINC000090007441 360052819 /nfs/dbraw/zinc/05/28/19/360052819.db2.gz FHZHIXKDDPFSGA-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO CCOC(=O)[C@@H]1CCCN1Cc1c[nH+]cn1C ZINC000090233457 360066946 /nfs/dbraw/zinc/06/69/46/360066946.db2.gz NSCZMPAEPCSDHO-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678612 360083037 /nfs/dbraw/zinc/08/30/37/360083037.db2.gz CHEZRIGTNUDCRH-VIFPVBQESA-N 1 2 224.308 0.444 20 0 BCADLO CC[C@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678612 360083039 /nfs/dbraw/zinc/08/30/39/360083039.db2.gz CHEZRIGTNUDCRH-VIFPVBQESA-N 1 2 224.308 0.444 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698417 360084184 /nfs/dbraw/zinc/08/41/84/360084184.db2.gz MEGDTPLSZMDVHT-LLVKDONJSA-N 1 2 225.336 0.149 20 0 BCADLO COCCN1CC[N@@H+]([C@@H]2C=CCCC2)CC1=O ZINC000091813269 360132088 /nfs/dbraw/zinc/13/20/88/360132088.db2.gz AJMRIZRMRUPVEX-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO COCCN1CC[N@H+]([C@@H]2C=CCCC2)CC1=O ZINC000091813269 360132090 /nfs/dbraw/zinc/13/20/90/360132090.db2.gz AJMRIZRMRUPVEX-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CCOCCC[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000091833551 360132136 /nfs/dbraw/zinc/13/21/36/360132136.db2.gz QRGXJIROJMOPEV-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCOCCC[N@H+]1CCN(CCOC)C(=O)C1 ZINC000091833551 360132138 /nfs/dbraw/zinc/13/21/38/360132138.db2.gz QRGXJIROJMOPEV-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612921797 360182781 /nfs/dbraw/zinc/18/27/81/360182781.db2.gz WOXMFLFVPIKYTH-OPRDCNLKSA-N 1 2 237.303 0.363 20 0 BCADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617142 360185522 /nfs/dbraw/zinc/18/55/22/360185522.db2.gz NNGSNPBJDFZLJX-HTQZYQBOSA-N 1 2 210.281 0.576 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000093082180 360215369 /nfs/dbraw/zinc/21/53/69/360215369.db2.gz HJLPTHOLBJQPNT-NSHDSACASA-N 1 2 238.287 0.399 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000093082180 360215373 /nfs/dbraw/zinc/21/53/73/360215373.db2.gz HJLPTHOLBJQPNT-NSHDSACASA-N 1 2 238.287 0.399 20 0 BCADLO COCCN(CC(=O)OC)Cc1c[nH+]c[nH]1 ZINC000093416232 360241776 /nfs/dbraw/zinc/24/17/76/360241776.db2.gz MHARDYYIJAOCDY-UHFFFAOYSA-N 1 2 227.264 0.031 20 0 BCADLO COCCN(CC(=O)OC)Cc1c[nH]c[nH+]1 ZINC000093416232 360241778 /nfs/dbraw/zinc/24/17/78/360241778.db2.gz MHARDYYIJAOCDY-UHFFFAOYSA-N 1 2 227.264 0.031 20 0 BCADLO CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785830 360354406 /nfs/dbraw/zinc/35/44/06/360354406.db2.gz OMGLCIQPZOCMPG-VIFPVBQESA-N 1 2 207.277 0.972 20 0 BCADLO CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785663 360354346 /nfs/dbraw/zinc/35/43/46/360354346.db2.gz VIHQXAJXEPFZNP-SECBINFHSA-N 1 2 207.277 0.972 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614054341 363719758 /nfs/dbraw/zinc/71/97/58/363719758.db2.gz PTWPYDNYQYBDJT-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO CCN(CC[NH3+])C(=O)NCc1cn[nH]c1C ZINC000626939263 360521965 /nfs/dbraw/zinc/52/19/65/360521965.db2.gz XQTQZSQHGVSQKC-UHFFFAOYSA-N 1 2 225.296 0.208 20 0 BCADLO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309487550 491149653 /nfs/dbraw/zinc/14/96/53/491149653.db2.gz VYUGMVVQNRVFSJ-KWQFWETISA-N 1 2 227.308 0.766 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC000628912017 360744792 /nfs/dbraw/zinc/74/47/92/360744792.db2.gz AEXCUTNYEVOBRO-QMMMGPOBSA-N 1 2 241.316 0.204 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC000628912017 360744793 /nfs/dbraw/zinc/74/47/93/360744793.db2.gz AEXCUTNYEVOBRO-QMMMGPOBSA-N 1 2 241.316 0.204 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)O1 ZINC000628913127 360745904 /nfs/dbraw/zinc/74/59/04/360745904.db2.gz JPGXUNLEDZDAJU-OUAUKWLOSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)O1 ZINC000628913127 360745906 /nfs/dbraw/zinc/74/59/06/360745906.db2.gz JPGXUNLEDZDAJU-OUAUKWLOSA-N 1 2 242.319 0.001 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000628913706 360746141 /nfs/dbraw/zinc/74/61/41/360746141.db2.gz VNPDPVDZGWXIHA-NTZNESFSSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000628913706 360746151 /nfs/dbraw/zinc/74/61/51/360746151.db2.gz VNPDPVDZGWXIHA-NTZNESFSSA-N 1 2 238.331 0.623 20 0 BCADLO COC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC1 ZINC000628913809 360746610 /nfs/dbraw/zinc/74/66/10/360746610.db2.gz DMTYMOWITCJLFZ-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC1 ZINC000628913809 360746617 /nfs/dbraw/zinc/74/66/17/360746617.db2.gz DMTYMOWITCJLFZ-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000628917059 360748343 /nfs/dbraw/zinc/74/83/43/360748343.db2.gz HVHQPUGKRGZNDQ-NNYUYHANSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000628917059 360748348 /nfs/dbraw/zinc/74/83/48/360748348.db2.gz HVHQPUGKRGZNDQ-NNYUYHANSA-N 1 2 238.331 0.479 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914592 360748456 /nfs/dbraw/zinc/74/84/56/360748456.db2.gz KBWGFEJSZBGJMM-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914592 360748460 /nfs/dbraw/zinc/74/84/60/360748460.db2.gz KBWGFEJSZBGJMM-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000628914756 360748864 /nfs/dbraw/zinc/74/88/64/360748864.db2.gz PVQFOYSBRMYUML-TUAOUCFPSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000628914756 360748868 /nfs/dbraw/zinc/74/88/68/360748868.db2.gz PVQFOYSBRMYUML-TUAOUCFPSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000628915900 360749788 /nfs/dbraw/zinc/74/97/88/360749788.db2.gz AHTNPFRLZKWCBA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000628915900 360749793 /nfs/dbraw/zinc/74/97/93/360749793.db2.gz AHTNPFRLZKWCBA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000628915452 360749802 /nfs/dbraw/zinc/74/98/02/360749802.db2.gz BNRVBKIGACLCSI-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628915452 360749805 /nfs/dbraw/zinc/74/98/05/360749805.db2.gz BNRVBKIGACLCSI-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCCO1 ZINC000628915898 360750302 /nfs/dbraw/zinc/75/03/02/360750302.db2.gz AHTNPFRLZKWCBA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCCO1 ZINC000628915898 360750305 /nfs/dbraw/zinc/75/03/05/360750305.db2.gz AHTNPFRLZKWCBA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915403 360750501 /nfs/dbraw/zinc/75/05/01/360750501.db2.gz RVBVCWDIJKRDPP-SDDRHHMPSA-N 1 2 240.347 0.725 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915403 360750505 /nfs/dbraw/zinc/75/05/05/360750505.db2.gz RVBVCWDIJKRDPP-SDDRHHMPSA-N 1 2 240.347 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCSC1 ZINC000628918601 360751088 /nfs/dbraw/zinc/75/10/88/360751088.db2.gz NNWZZBFFNHYNPB-VHSXEESVSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCSC1 ZINC000628918601 360751092 /nfs/dbraw/zinc/75/10/92/360751092.db2.gz NNWZZBFFNHYNPB-VHSXEESVSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628916591 360751295 /nfs/dbraw/zinc/75/12/95/360751295.db2.gz FQFFRJWDCQROEL-WOPDTQHZSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628916591 360751300 /nfs/dbraw/zinc/75/13/00/360751300.db2.gz FQFFRJWDCQROEL-WOPDTQHZSA-N 1 2 240.347 0.869 20 0 BCADLO COC(C)(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918816 360751398 /nfs/dbraw/zinc/75/13/98/360751398.db2.gz GQWHZRYBKGUSDG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918816 360751402 /nfs/dbraw/zinc/75/14/02/360751402.db2.gz GQWHZRYBKGUSDG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918817 360751799 /nfs/dbraw/zinc/75/17/99/360751799.db2.gz GQWHZRYBKGUSDG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918817 360751803 /nfs/dbraw/zinc/75/18/03/360751803.db2.gz GQWHZRYBKGUSDG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000628921460 360753851 /nfs/dbraw/zinc/75/38/51/360753851.db2.gz ZTDVIAFSJKDCPY-ONGXEEELSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000628921460 360753856 /nfs/dbraw/zinc/75/38/56/360753856.db2.gz ZTDVIAFSJKDCPY-ONGXEEELSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC1 ZINC000628923432 360755513 /nfs/dbraw/zinc/75/55/13/360755513.db2.gz SZXZARAYRXHMBE-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC1 ZINC000628923432 360755516 /nfs/dbraw/zinc/75/55/16/360755516.db2.gz SZXZARAYRXHMBE-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CC[C@](C)(OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923648 360756331 /nfs/dbraw/zinc/75/63/31/360756331.db2.gz RNQLPQOIFPXMMU-PWSUYJOCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@](C)(OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923648 360756335 /nfs/dbraw/zinc/75/63/35/360756335.db2.gz RNQLPQOIFPXMMU-PWSUYJOCSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC000628926280 360757579 /nfs/dbraw/zinc/75/75/79/360757579.db2.gz PQZWRBOJCNFNRV-JTQLQIEISA-N 1 2 224.260 0.340 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC000628926280 360757583 /nfs/dbraw/zinc/75/75/83/360757583.db2.gz PQZWRBOJCNFNRV-JTQLQIEISA-N 1 2 224.260 0.340 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccncc1 ZINC000628925690 360758238 /nfs/dbraw/zinc/75/82/38/360758238.db2.gz KXTOERPIDLJVID-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccncc1 ZINC000628925690 360758241 /nfs/dbraw/zinc/75/82/41/360758241.db2.gz KXTOERPIDLJVID-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC000628925083 360758662 /nfs/dbraw/zinc/75/86/62/360758662.db2.gz FPAAIQAADSUXSD-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC000628925083 360758668 /nfs/dbraw/zinc/75/86/68/360758668.db2.gz FPAAIQAADSUXSD-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1 ZINC000628927035 360759653 /nfs/dbraw/zinc/75/96/53/360759653.db2.gz WPSUPKOZEZGONS-JTQLQIEISA-N 1 2 240.328 0.809 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1 ZINC000628927035 360759655 /nfs/dbraw/zinc/75/96/55/360759655.db2.gz WPSUPKOZEZGONS-JTQLQIEISA-N 1 2 240.328 0.809 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(=O)C1CCCC1 ZINC000628992253 360785551 /nfs/dbraw/zinc/78/55/51/360785551.db2.gz GGQPGIRGGHBDNC-UHFFFAOYSA-N 1 2 249.314 0.838 20 0 BCADLO C/C=C\CNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000629036071 360802827 /nfs/dbraw/zinc/80/28/27/360802827.db2.gz FXNHMYSVUKGYOV-WYGGZMRJSA-N 1 2 225.336 0.315 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629122783 360888790 /nfs/dbraw/zinc/88/87/90/360888790.db2.gz FMSLAKHHKKZGQE-WDEREUQCSA-N 1 2 235.287 0.567 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629122998 360888810 /nfs/dbraw/zinc/88/88/10/360888810.db2.gz AFOXTUBEPMWDFM-ZYHUDNBSSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629122998 360888815 /nfs/dbraw/zinc/88/88/15/360888815.db2.gz AFOXTUBEPMWDFM-ZYHUDNBSSA-N 1 2 249.314 0.944 20 0 BCADLO COCC[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309629279 491153093 /nfs/dbraw/zinc/15/30/93/491153093.db2.gz HFIZHTOVTRZLOX-WCBMZHEXSA-N 1 2 227.308 0.766 20 0 BCADLO CC(C)N(C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578330 361036952 /nfs/dbraw/zinc/03/69/52/361036952.db2.gz SMOQIXQVTFMCCO-JTQLQIEISA-N 1 2 229.324 0.055 20 0 BCADLO CC(C)N(C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578330 361036958 /nfs/dbraw/zinc/03/69/58/361036958.db2.gz SMOQIXQVTFMCCO-JTQLQIEISA-N 1 2 229.324 0.055 20 0 BCADLO CCCCc1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474928 361246471 /nfs/dbraw/zinc/24/64/71/361246471.db2.gz VQLBXMAZGPROMX-CABZTGNLSA-N 1 2 237.303 0.979 20 0 BCADLO CCCCc1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474928 361246475 /nfs/dbraw/zinc/24/64/75/361246475.db2.gz VQLBXMAZGPROMX-CABZTGNLSA-N 1 2 237.303 0.979 20 0 BCADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)n1cccn1 ZINC000424662163 200948374 /nfs/dbraw/zinc/94/83/74/200948374.db2.gz IZTKQRXITUJHJN-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CC[C@H]([NH2+]CC(C)(C)OC)C(=O)OC ZINC000158955742 361216631 /nfs/dbraw/zinc/21/66/31/361216631.db2.gz USWMBWLKQVHCFS-QMMMGPOBSA-N 1 2 203.282 0.953 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC(=O)N(C)C ZINC000066496184 361294937 /nfs/dbraw/zinc/29/49/37/361294937.db2.gz OCADSUUARCLEIR-UHFFFAOYSA-N 1 2 216.281 0.006 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483015 361258100 /nfs/dbraw/zinc/25/81/00/361258100.db2.gz UPSWKNBUFDKUGH-JQWIXIFHSA-N 1 2 236.319 0.563 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483015 361258102 /nfs/dbraw/zinc/25/81/02/361258102.db2.gz UPSWKNBUFDKUGH-JQWIXIFHSA-N 1 2 236.319 0.563 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(C)[nH]1 ZINC000640482754 361268873 /nfs/dbraw/zinc/26/88/73/361268873.db2.gz SQYUQVUDHXQCDT-ZWNOBZJWSA-N 1 2 234.299 0.881 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(C)[nH]1 ZINC000640482754 361268878 /nfs/dbraw/zinc/26/88/78/361268878.db2.gz SQYUQVUDHXQCDT-ZWNOBZJWSA-N 1 2 234.299 0.881 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000640486653 361272353 /nfs/dbraw/zinc/27/23/53/361272353.db2.gz NABBHWGMLVTCCX-CABZTGNLSA-N 1 2 236.319 0.600 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000640486653 361272357 /nfs/dbraw/zinc/27/23/57/361272357.db2.gz NABBHWGMLVTCCX-CABZTGNLSA-N 1 2 236.319 0.600 20 0 BCADLO COCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000579053813 366701465 /nfs/dbraw/zinc/70/14/65/366701465.db2.gz SMFZNUKVSNDYGW-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)nn1 ZINC000428299217 201006930 /nfs/dbraw/zinc/00/69/30/201006930.db2.gz DPAOJXRMWOEAEL-ONGXEEELSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)nn1 ZINC000428299217 201006932 /nfs/dbraw/zinc/00/69/32/201006932.db2.gz DPAOJXRMWOEAEL-ONGXEEELSA-N 1 2 224.308 0.672 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)n1cc[nH+]c1 ZINC000579239388 366744156 /nfs/dbraw/zinc/74/41/56/366744156.db2.gz TUTRFHKVOZZHKY-WDEREUQCSA-N 1 2 249.314 0.818 20 0 BCADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1nccnc1OC ZINC000579194700 366731559 /nfs/dbraw/zinc/73/15/59/366731559.db2.gz KQSDILDVNSDQTK-WCBMZHEXSA-N 1 2 223.276 0.752 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332997308 361328618 /nfs/dbraw/zinc/32/86/18/361328618.db2.gz FDJHIQNWARCRLX-WDEREUQCSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1nnc(C[NH+]2CCC(CC(N)=O)CC2)[nH]1 ZINC000428450516 201018811 /nfs/dbraw/zinc/01/88/11/201018811.db2.gz XFQDQHCRAKVCJO-UHFFFAOYSA-N 1 2 237.307 0.201 20 0 BCADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)nc1 ZINC000579234828 366740631 /nfs/dbraw/zinc/74/06/31/366740631.db2.gz PGXJIVNMEKWONA-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)ncn1 ZINC000428494730 201026894 /nfs/dbraw/zinc/02/68/94/201026894.db2.gz ONADXBBGVUKFBE-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)ncn1 ZINC000428494730 201026897 /nfs/dbraw/zinc/02/68/97/201026897.db2.gz ONADXBBGVUKFBE-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CCC1 ZINC000448449882 201041034 /nfs/dbraw/zinc/04/10/34/201041034.db2.gz XZZNNYFVQPPBOK-LLVKDONJSA-N 1 2 238.331 0.886 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cccc(OC)n1 ZINC000429112464 201069150 /nfs/dbraw/zinc/06/91/50/201069150.db2.gz GMRSYQSUINHMEU-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cccc(OC)n1 ZINC000429112464 201069154 /nfs/dbraw/zinc/06/91/54/201069154.db2.gz GMRSYQSUINHMEU-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1 ZINC000429123275 201070228 /nfs/dbraw/zinc/07/02/28/201070228.db2.gz TYRHSVAKLXUDKI-UHFFFAOYSA-N 1 2 249.314 0.822 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1 ZINC000429123275 201070229 /nfs/dbraw/zinc/07/02/29/201070229.db2.gz TYRHSVAKLXUDKI-UHFFFAOYSA-N 1 2 249.314 0.822 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N(CC)CC ZINC000429121993 201071381 /nfs/dbraw/zinc/07/13/81/201071381.db2.gz NLKIJGIEZUMAFM-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N(CC)CC ZINC000429121993 201071385 /nfs/dbraw/zinc/07/13/85/201071385.db2.gz NLKIJGIEZUMAFM-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO O=C(C[C@@H]1CC(=O)N1)Nc1ccn2cc[nH+]c2c1 ZINC000614275666 363767664 /nfs/dbraw/zinc/76/76/64/363767664.db2.gz KVVSOAOKBVUMMM-SECBINFHSA-N 1 2 244.254 0.551 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)[nH]1 ZINC000428958588 201051786 /nfs/dbraw/zinc/05/17/86/201051786.db2.gz DDQQIYLPESTIHS-UHFFFAOYSA-N 1 2 245.286 0.772 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)[nH]1 ZINC000428958588 201051789 /nfs/dbraw/zinc/05/17/89/201051789.db2.gz DDQQIYLPESTIHS-UHFFFAOYSA-N 1 2 245.286 0.772 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614281146 363769507 /nfs/dbraw/zinc/76/95/07/363769507.db2.gz GPPOKAXTIYJAFY-XBWDGYHZSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614281146 363769512 /nfs/dbraw/zinc/76/95/12/363769512.db2.gz GPPOKAXTIYJAFY-XBWDGYHZSA-N 1 2 247.298 0.276 20 0 BCADLO C[C@@H]([NH2+]Cc1cocn1)[C@@H]1CN(C)CCO1 ZINC000309813888 491157196 /nfs/dbraw/zinc/15/71/96/491157196.db2.gz UXQNLUYTABORAB-KOLCDFICSA-N 1 2 225.292 0.483 20 0 BCADLO C[C@H]([NH2+]Cc1cocn1)[C@@H]1CN(C)CCO1 ZINC000309813890 491157200 /nfs/dbraw/zinc/15/72/00/491157200.db2.gz UXQNLUYTABORAB-ONGXEEELSA-N 1 2 225.292 0.483 20 0 BCADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@H]1CCOC1 ZINC000428984631 201055231 /nfs/dbraw/zinc/05/52/31/201055231.db2.gz YAOXAGQERWKDLB-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@H]1CCOC1 ZINC000428984631 201055234 /nfs/dbraw/zinc/05/52/34/201055234.db2.gz YAOXAGQERWKDLB-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CC[N@@H+](Cc1nnc(C)[nH]1)C[C@H](C)OC ZINC000428982407 201055311 /nfs/dbraw/zinc/05/53/11/201055311.db2.gz MZVZXNWYJHOVCM-QMMMGPOBSA-N 1 2 212.297 0.970 20 0 BCADLO CC[N@H+](Cc1nnc(C)[nH]1)C[C@H](C)OC ZINC000428982407 201055314 /nfs/dbraw/zinc/05/53/14/201055314.db2.gz MZVZXNWYJHOVCM-QMMMGPOBSA-N 1 2 212.297 0.970 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc(C)nc1 ZINC000614341117 363788421 /nfs/dbraw/zinc/78/84/21/363788421.db2.gz NZLVJOMQOQOBCJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc(C)nc1 ZINC000614341117 363788425 /nfs/dbraw/zinc/78/84/25/363788425.db2.gz NZLVJOMQOQOBCJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000614344162 363789543 /nfs/dbraw/zinc/78/95/43/363789543.db2.gz VSENACGHFBVLDD-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000614344162 363789548 /nfs/dbraw/zinc/78/95/48/363789548.db2.gz VSENACGHFBVLDD-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CCCN(CC(N)=O)Cc1[nH+]ccn1CC ZINC000429152040 201074685 /nfs/dbraw/zinc/07/46/85/201074685.db2.gz PYRIVSSTYBNJOZ-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nnc(C)n1C ZINC000429231595 201081384 /nfs/dbraw/zinc/08/13/84/201081384.db2.gz HGFABBZALIWWRR-UHFFFAOYSA-N 1 2 226.324 0.980 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C)n1C ZINC000429231595 201081387 /nfs/dbraw/zinc/08/13/87/201081387.db2.gz HGFABBZALIWWRR-UHFFFAOYSA-N 1 2 226.324 0.980 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429284228 201092419 /nfs/dbraw/zinc/09/24/19/201092419.db2.gz JPPHISPUGALEOS-UHFFFAOYSA-N 1 2 224.264 0.116 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429284228 201092421 /nfs/dbraw/zinc/09/24/21/201092421.db2.gz JPPHISPUGALEOS-UHFFFAOYSA-N 1 2 224.264 0.116 20 0 BCADLO CC[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000579365233 366771209 /nfs/dbraw/zinc/77/12/09/366771209.db2.gz SHGCLYHRQAJBRS-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO COC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429566257 201114859 /nfs/dbraw/zinc/11/48/59/201114859.db2.gz COGATKZPLPUWBU-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429566257 201114864 /nfs/dbraw/zinc/11/48/64/201114864.db2.gz COGATKZPLPUWBU-VFZGTOFNSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429557158 201116105 /nfs/dbraw/zinc/11/61/05/201116105.db2.gz BQINKOXVGWQMGL-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429557158 201116108 /nfs/dbraw/zinc/11/61/08/201116108.db2.gz BQINKOXVGWQMGL-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO [NH3+][C@@H]1CCCCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629543426 361412092 /nfs/dbraw/zinc/41/20/92/361412092.db2.gz BECVGFBLDWRCDW-UPJWGTAASA-N 1 2 241.379 0.303 20 0 BCADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)CC[S@@]1=O ZINC000429585260 201121773 /nfs/dbraw/zinc/12/17/73/201121773.db2.gz IRKVMBZLCXPRHO-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)CC[S@]1=O ZINC000429585257 201122443 /nfs/dbraw/zinc/12/24/43/201122443.db2.gz IRKVMBZLCXPRHO-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO CC(C)n1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC000429836971 201132967 /nfs/dbraw/zinc/13/29/67/201132967.db2.gz BCZOGYORUJYLHZ-UHFFFAOYSA-N 1 2 248.290 0.486 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccnn1CC ZINC000430137884 201146885 /nfs/dbraw/zinc/14/68/85/201146885.db2.gz MGOJWOLGMHHSKC-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccnn1CC ZINC000430137884 201146888 /nfs/dbraw/zinc/14/68/88/201146888.db2.gz MGOJWOLGMHHSKC-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccccn2)c1 ZINC000170214514 361497199 /nfs/dbraw/zinc/49/71/99/361497199.db2.gz TWQGJTVCUDEFIN-UHFFFAOYSA-N 1 2 230.271 0.788 20 0 BCADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000152573869 201201236 /nfs/dbraw/zinc/20/12/36/201201236.db2.gz DBAOLDUVXPVCDI-SNVBAGLBSA-N 1 2 220.276 0.818 20 0 BCADLO C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1O ZINC000433767964 201193000 /nfs/dbraw/zinc/19/30/00/201193000.db2.gz ZTNNKQAOXMYYKV-GHMZBOCLSA-N 1 2 248.330 0.894 20 0 BCADLO C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H]1O ZINC000433767964 201193003 /nfs/dbraw/zinc/19/30/03/201193003.db2.gz ZTNNKQAOXMYYKV-GHMZBOCLSA-N 1 2 248.330 0.894 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCNC(=O)CC2)[nH+]1 ZINC000433796237 201193724 /nfs/dbraw/zinc/19/37/24/201193724.db2.gz KKPOPVIMVXBGKD-UHFFFAOYSA-N 1 2 245.286 0.593 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000629685732 361607634 /nfs/dbraw/zinc/60/76/34/361607634.db2.gz YFMDYCBBBGZZLU-XYPYZODXSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1CSC1 ZINC000631594619 361581265 /nfs/dbraw/zinc/58/12/65/361581265.db2.gz NGCINPWKYSNHIV-UHFFFAOYSA-N 1 2 211.290 0.697 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000629688839 361621510 /nfs/dbraw/zinc/62/15/10/361621510.db2.gz PMOHWYPHWQSTPL-HOMQSWHASA-N 1 2 237.303 0.646 20 0 BCADLO CCC[C@@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000448553618 201253611 /nfs/dbraw/zinc/25/36/11/201253611.db2.gz CPWVLJWKTDSESO-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)O ZINC000436839111 201339130 /nfs/dbraw/zinc/33/91/30/201339130.db2.gz OLHJITNTKICMCI-SSDOTTSWSA-N 1 2 211.265 0.100 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC(OC(F)F)C1 ZINC000437557605 201354997 /nfs/dbraw/zinc/35/49/97/201354997.db2.gz KZRPPSHJAWADLQ-UHFFFAOYSA-N 1 2 245.229 0.723 20 0 BCADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCOC1 ZINC000552531005 325649471 /nfs/dbraw/zinc/64/94/71/325649471.db2.gz FBDUBYQPHHCMMK-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO C[C@H]1OCC[N@H+](CCCS(C)(=O)=O)[C@H]1C ZINC000156031697 201383167 /nfs/dbraw/zinc/38/31/67/201383167.db2.gz NNCAZNYCRLDXIE-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1OCC[N@@H+](CCCS(C)(=O)=O)[C@H]1C ZINC000156031697 201383171 /nfs/dbraw/zinc/38/31/71/201383171.db2.gz NNCAZNYCRLDXIE-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)OC ZINC000452012617 202511151 /nfs/dbraw/zinc/51/11/51/202511151.db2.gz FLHGRZSBZIEKPZ-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO COc1cc(NCc2c[nH+]cn2C)[nH]n1 ZINC000623627674 363845465 /nfs/dbraw/zinc/84/54/65/363845465.db2.gz JFVNFROQYSLWOG-UHFFFAOYSA-N 1 2 207.237 0.764 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H]2COC[C@@H]2O)cs1 ZINC000328354926 363885276 /nfs/dbraw/zinc/88/52/76/363885276.db2.gz NYHGZCZGUPJKRV-UWVGGRQHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cs1 ZINC000328354926 363885280 /nfs/dbraw/zinc/88/52/80/363885280.db2.gz NYHGZCZGUPJKRV-UWVGGRQHSA-N 1 2 242.344 0.897 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619076077 363904195 /nfs/dbraw/zinc/90/41/95/363904195.db2.gz UGWZDWHQNQSXMJ-GHMZBOCLSA-N 1 2 249.314 0.382 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCOC1 ZINC000614656734 363916459 /nfs/dbraw/zinc/91/64/59/363916459.db2.gz FKYZRASPEAVRDQ-NXEZZACHSA-N 1 2 235.287 0.730 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619080618 363952588 /nfs/dbraw/zinc/95/25/88/363952588.db2.gz FVIXHJPKUAMZBQ-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1(CO)CC1 ZINC000614774356 363969988 /nfs/dbraw/zinc/96/99/88/363969988.db2.gz WFQAJSBTLLMXIC-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1(CO)CC1 ZINC000614774356 363969991 /nfs/dbraw/zinc/96/99/91/363969991.db2.gz WFQAJSBTLLMXIC-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCCO1 ZINC000630409659 364142873 /nfs/dbraw/zinc/14/28/73/364142873.db2.gz WVQAZQHOLQRWOJ-VIFPVBQESA-N 1 2 238.291 0.730 20 0 BCADLO CC[C@@H](C(=O)OC)N(C)Cc1[nH]cc[nH+]1 ZINC000614918452 364086414 /nfs/dbraw/zinc/08/64/14/364086414.db2.gz YWMDSITTZCRUSF-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000630388272 364104050 /nfs/dbraw/zinc/10/40/50/364104050.db2.gz FEXASJXRKFBMJF-UHFFFAOYSA-N 1 2 248.330 0.681 20 0 BCADLO COc1ccnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000116199007 370744235 /nfs/dbraw/zinc/74/42/35/370744235.db2.gz MBJNNFOVCBPYPP-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000068288348 370770052 /nfs/dbraw/zinc/77/00/52/370770052.db2.gz JFHAJHIMEDJWKN-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000134583477 541358277 /nfs/dbraw/zinc/35/82/77/541358277.db2.gz AUBUZGKVGYNWSX-RQJHMYQMSA-N 1 2 210.281 0.633 20 0 BCADLO CCOCC[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000135148334 364429983 /nfs/dbraw/zinc/42/99/83/364429983.db2.gz DLIFTXGEXAHZGW-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000135148334 364429987 /nfs/dbraw/zinc/42/99/87/364429987.db2.gz DLIFTXGEXAHZGW-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCO1 ZINC000579540636 366849860 /nfs/dbraw/zinc/84/98/60/366849860.db2.gz ZJBVHENLRDIDDH-JTQLQIEISA-N 1 2 223.276 0.568 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000181737240 366844719 /nfs/dbraw/zinc/84/47/19/366844719.db2.gz YCGOXPOEIBCQOO-JTQLQIEISA-N 1 2 236.275 0.192 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000181737240 366844725 /nfs/dbraw/zinc/84/47/25/366844725.db2.gz YCGOXPOEIBCQOO-JTQLQIEISA-N 1 2 236.275 0.192 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(=O)n1C ZINC000630747498 364533482 /nfs/dbraw/zinc/53/34/82/364533482.db2.gz SJOTVAXHEUMITP-QMMMGPOBSA-N 1 2 249.274 0.141 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865936 364545832 /nfs/dbraw/zinc/54/58/32/364545832.db2.gz QUXZUFGJOZOQAD-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865936 364545838 /nfs/dbraw/zinc/54/58/38/364545838.db2.gz QUXZUFGJOZOQAD-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ncc[nH]1 ZINC000615158480 364549082 /nfs/dbraw/zinc/54/90/82/364549082.db2.gz QBPNTLFUKCGFBL-SECBINFHSA-N 1 2 236.319 0.929 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158091 364549922 /nfs/dbraw/zinc/54/99/22/364549922.db2.gz JGCXLRVOYARGGP-SFYZADRCSA-N 1 2 211.265 0.604 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158209 364550905 /nfs/dbraw/zinc/55/09/05/364550905.db2.gz KOPAJABGWMJHKZ-LDYMZIIASA-N 1 2 225.292 0.994 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2Cc3c[nH]nc3C2)C1 ZINC000615134162 364513937 /nfs/dbraw/zinc/51/39/37/364513937.db2.gz VFXNJVWTXKSCKH-UHFFFAOYSA-N 1 2 234.303 0.594 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000630858254 364617357 /nfs/dbraw/zinc/61/73/57/364617357.db2.gz CFGUMIRZKZXXPF-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000630858254 364617364 /nfs/dbraw/zinc/61/73/64/364617364.db2.gz CFGUMIRZKZXXPF-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000573449304 364836403 /nfs/dbraw/zinc/83/64/03/364836403.db2.gz RFCBSRHGQRLVAS-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cccnc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000573575599 364866199 /nfs/dbraw/zinc/86/61/99/364866199.db2.gz HETXBAKZGRVEAA-GFCCVEGCSA-N 1 2 235.287 0.124 20 0 BCADLO COC[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413217777 541402106 /nfs/dbraw/zinc/40/21/06/541402106.db2.gz DPOXGAZJSLUXHC-BDAKNGLRSA-N 1 2 240.307 0.716 20 0 BCADLO COC[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413217777 541402111 /nfs/dbraw/zinc/40/21/11/541402111.db2.gz DPOXGAZJSLUXHC-BDAKNGLRSA-N 1 2 240.307 0.716 20 0 BCADLO O=C(NCCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC000573923571 364946625 /nfs/dbraw/zinc/94/66/25/364946625.db2.gz LVVHHODYGHZJCH-VIFPVBQESA-N 1 2 225.267 0.921 20 0 BCADLO CC(C)(C)OC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000574036118 364971878 /nfs/dbraw/zinc/97/18/78/364971878.db2.gz ILHFZZMPCLNWAI-UHFFFAOYSA-N 1 2 228.292 0.135 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574200557 365009765 /nfs/dbraw/zinc/00/97/65/365009765.db2.gz MTGRIOPWZJKMSC-SVRRBLITSA-N 1 2 229.305 0.294 20 0 BCADLO CC(C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000574257059 365019825 /nfs/dbraw/zinc/01/98/25/365019825.db2.gz HVLJOPBYKAMSBP-UHFFFAOYSA-N 1 2 209.249 0.037 20 0 BCADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCOC1 ZINC000574305742 365033666 /nfs/dbraw/zinc/03/36/66/365033666.db2.gz DROLNNMSXCUDOD-QMMMGPOBSA-N 1 2 226.280 0.510 20 0 BCADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCOC1 ZINC000574305742 365033674 /nfs/dbraw/zinc/03/36/74/365033674.db2.gz DROLNNMSXCUDOD-QMMMGPOBSA-N 1 2 226.280 0.510 20 0 BCADLO CCN(Cc1cnn(C)c1)C(=O)Cn1cc[nH+]c1 ZINC000574566629 365090312 /nfs/dbraw/zinc/09/03/12/365090312.db2.gz WPUBKFPFZKRLIR-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)[nH]1 ZINC000574650395 365113572 /nfs/dbraw/zinc/11/35/72/365113572.db2.gz YHTUZEGHTMOSBZ-SNVBAGLBSA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](c3ccncc3)C2)[nH]1 ZINC000574650395 365113578 /nfs/dbraw/zinc/11/35/78/365113578.db2.gz YHTUZEGHTMOSBZ-SNVBAGLBSA-N 1 2 245.286 0.895 20 0 BCADLO CCc1cnc(C[N@H+](C)CCOCCO)o1 ZINC000574704952 365127771 /nfs/dbraw/zinc/12/77/71/365127771.db2.gz AQHALGOJCLDXIV-UHFFFAOYSA-N 1 2 228.292 0.678 20 0 BCADLO CCc1cnc(C[N@@H+](C)CCOCCO)o1 ZINC000574704952 365127775 /nfs/dbraw/zinc/12/77/75/365127775.db2.gz AQHALGOJCLDXIV-UHFFFAOYSA-N 1 2 228.292 0.678 20 0 BCADLO C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000574714559 365129273 /nfs/dbraw/zinc/12/92/73/365129273.db2.gz PUHBZSXLSCBMLY-SECBINFHSA-N 1 2 207.277 0.974 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@](C)(O)C1 ZINC000574742748 365133087 /nfs/dbraw/zinc/13/30/87/365133087.db2.gz VGSBSOGTULHDKJ-DGFRNANFSA-N 1 2 233.275 0.689 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CCn1cccn1 ZINC000574824167 365155708 /nfs/dbraw/zinc/15/57/08/365155708.db2.gz YRAPBYQRBFQZOW-UHFFFAOYSA-N 1 2 248.290 0.400 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CCn1cccn1 ZINC000574824167 365155713 /nfs/dbraw/zinc/15/57/13/365155713.db2.gz YRAPBYQRBFQZOW-UHFFFAOYSA-N 1 2 248.290 0.400 20 0 BCADLO C[C@@H](CC(=O)Nc1ncn(C)n1)n1cc[nH+]c1 ZINC000574881687 365168141 /nfs/dbraw/zinc/16/81/41/365168141.db2.gz WZHPOIIWHMQLBE-QMMMGPOBSA-N 1 2 234.263 0.601 20 0 BCADLO C[C@H](CNC(=O)C1CC1)[NH+]1CCN(C)CC1 ZINC000171136639 365171236 /nfs/dbraw/zinc/17/12/36/365171236.db2.gz JMJBIDVFOZHPPM-SNVBAGLBSA-N 1 2 225.336 0.149 20 0 BCADLO CNC(=O)C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000443056215 193012133 /nfs/dbraw/zinc/01/21/33/193012133.db2.gz GQLRDBPXJMGQSD-INIZCTEOSA-N 1 2 240.328 0.693 20 0 BCADLO O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1CC[NH2+]1 ZINC000444154788 193038154 /nfs/dbraw/zinc/03/81/54/193038154.db2.gz XQENWOKFTMVLLX-GSVOUGTGSA-N 1 2 235.169 0.124 20 0 BCADLO Oc1cccnc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000575218035 365248973 /nfs/dbraw/zinc/24/89/73/365248973.db2.gz OCJNWIOOEDSOBX-AOOOYVTPSA-N 1 2 236.271 0.387 20 0 BCADLO Oc1cccnc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000575218035 365248976 /nfs/dbraw/zinc/24/89/76/365248976.db2.gz OCJNWIOOEDSOBX-AOOOYVTPSA-N 1 2 236.271 0.387 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC000622272232 370811705 /nfs/dbraw/zinc/81/17/05/370811705.db2.gz NKNPDPYNBQMEPJ-UHFFFAOYSA-N 1 2 234.303 0.217 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000444251306 193042965 /nfs/dbraw/zinc/04/29/65/193042965.db2.gz UHOXNTJVQGPNNY-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000444251306 193042966 /nfs/dbraw/zinc/04/29/66/193042966.db2.gz UHOXNTJVQGPNNY-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC1(F)F ZINC000622275472 370816561 /nfs/dbraw/zinc/81/65/61/370816561.db2.gz FOHMRSVNWVBIQC-QMMMGPOBSA-N 1 2 234.246 0.090 20 0 BCADLO COC(=O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575751805 365353571 /nfs/dbraw/zinc/35/35/71/365353571.db2.gz AQESNUHKDSCEKQ-SECBINFHSA-N 1 2 239.275 0.466 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nncn1C ZINC000172587494 365342885 /nfs/dbraw/zinc/34/28/85/365342885.db2.gz DJPIBBYWJKGNQB-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nncn1C ZINC000172587494 365342891 /nfs/dbraw/zinc/34/28/91/365342891.db2.gz DJPIBBYWJKGNQB-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC2(C)C)C1 ZINC000174590057 365499083 /nfs/dbraw/zinc/49/90/83/365499083.db2.gz IRXSOOLYLIMFAB-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCCC2(C)C)C1 ZINC000174590057 365499089 /nfs/dbraw/zinc/49/90/89/365499089.db2.gz IRXSOOLYLIMFAB-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO FC[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000579684523 366976718 /nfs/dbraw/zinc/97/67/18/366976718.db2.gz WZRRFPZZKNLYNF-NWDGAFQWSA-N 1 2 247.310 0.852 20 0 BCADLO FC[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000579684523 366976721 /nfs/dbraw/zinc/97/67/21/366976721.db2.gz WZRRFPZZKNLYNF-NWDGAFQWSA-N 1 2 247.310 0.852 20 0 BCADLO COC(=O)c1coc(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000183842910 367053174 /nfs/dbraw/zinc/05/31/74/367053174.db2.gz HLSQFONRAWCPBQ-UHFFFAOYSA-N 1 2 238.243 0.174 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000579871925 367059630 /nfs/dbraw/zinc/05/96/30/367059630.db2.gz JAHVTUKSNVJOKL-SECBINFHSA-N 1 2 223.276 0.210 20 0 BCADLO C[C@H](C[S@@](C)=O)N(C)Cc1[nH+]ccn1C ZINC000185126727 367119000 /nfs/dbraw/zinc/11/90/00/367119000.db2.gz MRASLDKFYXVEFY-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185099103 367119165 /nfs/dbraw/zinc/11/91/65/367119165.db2.gz COVNSZWOBUKCAM-QFYYESIMSA-N 1 2 248.392 0.602 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185099103 367119169 /nfs/dbraw/zinc/11/91/69/367119169.db2.gz COVNSZWOBUKCAM-QFYYESIMSA-N 1 2 248.392 0.602 20 0 BCADLO CCCC[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000185187330 367125051 /nfs/dbraw/zinc/12/50/51/367125051.db2.gz OTNRTJDEKUOYOO-SSDOTTSWSA-N 1 2 242.241 0.497 20 0 BCADLO CCCC[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000185187330 367125057 /nfs/dbraw/zinc/12/50/57/367125057.db2.gz OTNRTJDEKUOYOO-SSDOTTSWSA-N 1 2 242.241 0.497 20 0 BCADLO CC[C@@H](O)CC(=O)NCCn1cc[nH+]c1 ZINC000622307532 370835590 /nfs/dbraw/zinc/83/55/90/370835590.db2.gz CVIFETHVZPHOLF-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000622307616 370836115 /nfs/dbraw/zinc/83/61/15/370836115.db2.gz GLBIUJCVXZAFAA-ZETCQYMHSA-N 1 2 215.203 0.655 20 0 BCADLO Cc1cn(C)nc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000622283993 370821901 /nfs/dbraw/zinc/82/19/01/370821901.db2.gz KAFLTCHRAXRQLJ-UHFFFAOYSA-N 1 2 247.302 0.734 20 0 BCADLO Cc1ccn(CC(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000622284117 370822393 /nfs/dbraw/zinc/82/23/93/370822393.db2.gz PKFQTHVDCGHECW-UHFFFAOYSA-N 1 2 247.302 0.584 20 0 BCADLO CCOC(=O)C[N@H+](C)CCn1nc(C)cc1C ZINC000068815332 370851280 /nfs/dbraw/zinc/85/12/80/370851280.db2.gz RHECLPWHAHFEML-UHFFFAOYSA-N 1 2 239.319 0.995 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCn1nc(C)cc1C ZINC000068815332 370851283 /nfs/dbraw/zinc/85/12/83/370851283.db2.gz RHECLPWHAHFEML-UHFFFAOYSA-N 1 2 239.319 0.995 20 0 BCADLO COCCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000580863095 367189633 /nfs/dbraw/zinc/18/96/33/367189633.db2.gz FLCJTQBXUPHWNZ-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(=O)N1CCCC1 ZINC000580948482 367214469 /nfs/dbraw/zinc/21/44/69/367214469.db2.gz HLFGZABEZZNNAE-GFCCVEGCSA-N 1 2 239.363 0.635 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC(=O)N1CCCC1 ZINC000580948482 367214474 /nfs/dbraw/zinc/21/44/74/367214474.db2.gz HLFGZABEZZNNAE-GFCCVEGCSA-N 1 2 239.363 0.635 20 0 BCADLO Cc1nc(N2CC3(C2)CCOC3)nc(N(C)C)[nH+]1 ZINC000581323265 367348474 /nfs/dbraw/zinc/34/84/74/367348474.db2.gz ZVFADKQRURILPI-UHFFFAOYSA-N 1 2 249.318 0.473 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC3(C2)CCOC3)[nH+]1 ZINC000581323265 367348481 /nfs/dbraw/zinc/34/84/81/367348481.db2.gz ZVFADKQRURILPI-UHFFFAOYSA-N 1 2 249.318 0.473 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000581188701 367288241 /nfs/dbraw/zinc/28/82/41/367288241.db2.gz WMQDKMZSODAHNF-RKDXNWHRSA-N 1 2 249.274 0.189 20 0 BCADLO Cc1n[nH]cc1CNC(=O)Cn1cc[nH+]c1 ZINC000380770166 367300571 /nfs/dbraw/zinc/30/05/71/367300571.db2.gz YPYOGZMDFWUGBA-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N(CCO)CC1CC1 ZINC000581238427 367303199 /nfs/dbraw/zinc/30/31/99/367303199.db2.gz SEJLOWBSYRLZTP-UHFFFAOYSA-N 1 2 247.302 0.572 20 0 BCADLO C[C@@H]1CCC[C@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000383024700 367587622 /nfs/dbraw/zinc/58/76/22/367587622.db2.gz UYUBLWDOOCXZLD-PWSUYJOCSA-N 1 2 237.303 0.550 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000581660653 367661528 /nfs/dbraw/zinc/66/15/28/367661528.db2.gz NEIZPLOTKINNTL-GARJFASQSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)nc[nH+]1 ZINC000068941903 370862854 /nfs/dbraw/zinc/86/28/54/370862854.db2.gz SSJSSULTGTYNDK-SECBINFHSA-N 1 2 241.316 0.774 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1CC(C)(O)C1 ZINC000622353637 370863004 /nfs/dbraw/zinc/86/30/04/370863004.db2.gz WXYZRVYHRNPGTP-UHFFFAOYSA-N 1 2 223.276 0.197 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000622364511 370869432 /nfs/dbraw/zinc/86/94/32/370869432.db2.gz YEWSEINLQIKQSE-UHFFFAOYSA-N 1 2 205.221 0.105 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC1(F)F ZINC000622364123 370870090 /nfs/dbraw/zinc/87/00/90/370870090.db2.gz LNQMKNBPFVWOCK-LURJTMIESA-N 1 2 215.203 0.724 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)n1 ZINC000581723852 367786179 /nfs/dbraw/zinc/78/61/79/367786179.db2.gz BMHXIKARSOJAEI-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](c3cccnc3)C2)n1 ZINC000581723852 367786185 /nfs/dbraw/zinc/78/61/85/367786185.db2.gz BMHXIKARSOJAEI-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO CC[C@](C)(CO)C(=O)NCCn1cc[nH+]c1 ZINC000581735225 367799807 /nfs/dbraw/zinc/79/98/07/367799807.db2.gz KDVHQRBTMUSPQQ-LLVKDONJSA-N 1 2 225.292 0.408 20 0 BCADLO CC[C@@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000386141530 367920253 /nfs/dbraw/zinc/92/02/53/367920253.db2.gz QNUQQSHDSCNEPZ-QMMMGPOBSA-N 1 2 203.282 0.953 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399201558 367903326 /nfs/dbraw/zinc/90/33/26/367903326.db2.gz CIYXDJGRDWNKPV-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399201558 367903332 /nfs/dbraw/zinc/90/33/32/367903332.db2.gz CIYXDJGRDWNKPV-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc2c(c1)OCO2 ZINC000015369743 367940601 /nfs/dbraw/zinc/94/06/01/367940601.db2.gz UMUNFAVTOARGJS-UHFFFAOYSA-N 1 2 222.244 0.332 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc2c(c1)OCO2 ZINC000015369743 367940606 /nfs/dbraw/zinc/94/06/06/367940606.db2.gz UMUNFAVTOARGJS-UHFFFAOYSA-N 1 2 222.244 0.332 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2[nH+]ccn2C)[C@H](C)O1 ZINC000630921609 367952435 /nfs/dbraw/zinc/95/24/35/367952435.db2.gz GCUAYDTYCPVZKG-UTLUCORTSA-N 1 2 237.303 0.850 20 0 BCADLO CCOC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000630923064 367957987 /nfs/dbraw/zinc/95/79/87/367957987.db2.gz RMGXAZDICBKQIV-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000386939293 368036421 /nfs/dbraw/zinc/03/64/21/368036421.db2.gz TYHPRKACHHEVFJ-VIFPVBQESA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000386939293 368036426 /nfs/dbraw/zinc/03/64/26/368036426.db2.gz TYHPRKACHHEVFJ-VIFPVBQESA-N 1 2 212.293 0.566 20 0 BCADLO CNC(=O)CCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000581952084 368018654 /nfs/dbraw/zinc/01/86/54/368018654.db2.gz YHQXVBDSXWLENZ-QMMMGPOBSA-N 1 2 238.278 0.461 20 0 BCADLO CNC(=O)CCC[N@H+](CC(F)F)C[C@H](C)O ZINC000581952084 368018661 /nfs/dbraw/zinc/01/86/61/368018661.db2.gz YHQXVBDSXWLENZ-QMMMGPOBSA-N 1 2 238.278 0.461 20 0 BCADLO Cc1ncc(NCc2c[nH+]cn2C)cc1C(N)=O ZINC000630960041 368156675 /nfs/dbraw/zinc/15/66/75/368156675.db2.gz MGUMRCBRGBCHBQ-UHFFFAOYSA-N 1 2 245.286 0.835 20 0 BCADLO CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041419821 368282271 /nfs/dbraw/zinc/28/22/71/368282271.db2.gz BZPKIWGFTWFADA-LLVKDONJSA-N 1 2 244.360 0.330 20 0 BCADLO O=C(C1CC[NH+](CC(F)F)CC1)N1CCOC1 ZINC000615766768 368296250 /nfs/dbraw/zinc/29/62/50/368296250.db2.gz YZDHCYMDGTUQSI-UHFFFAOYSA-N 1 2 248.273 0.780 20 0 BCADLO CCO[C@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000566468363 326052259 /nfs/dbraw/zinc/05/22/59/326052259.db2.gz KZXDYBIZRXEXIO-SECBINFHSA-N 1 2 225.292 0.944 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(CC)CC)CCO1 ZINC000045752127 368430842 /nfs/dbraw/zinc/43/08/42/368430842.db2.gz VBPOZTXPMWEECR-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)CCO1 ZINC000045752127 368430851 /nfs/dbraw/zinc/43/08/51/368430851.db2.gz VBPOZTXPMWEECR-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000045784663 368431840 /nfs/dbraw/zinc/43/18/40/368431840.db2.gz LBJUGWINCJFCFQ-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000045784663 368431843 /nfs/dbraw/zinc/43/18/43/368431843.db2.gz LBJUGWINCJFCFQ-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C ZINC000045784666 368432731 /nfs/dbraw/zinc/43/27/31/368432731.db2.gz LBJUGWINCJFCFQ-BDAKNGLRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C ZINC000045784666 368432736 /nfs/dbraw/zinc/43/27/36/368432736.db2.gz LBJUGWINCJFCFQ-BDAKNGLRSA-N 1 2 200.282 0.184 20 0 BCADLO CC[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046884480 368453660 /nfs/dbraw/zinc/45/36/60/368453660.db2.gz MVKBVTLISQJGOY-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CCO[C@@H](CC)C(=O)NCC[NH+]1CCOCC1 ZINC000057191244 368486580 /nfs/dbraw/zinc/48/65/80/368486580.db2.gz WBIOTJCXEWIILR-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCc1c(C(=O)NCCn2cc[nH+]c2)cnn1C ZINC000642566100 368494500 /nfs/dbraw/zinc/49/45/00/368494500.db2.gz WHQNMRPMVFDXRR-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)C1CC1 ZINC000566948061 326096008 /nfs/dbraw/zinc/09/60/08/326096008.db2.gz ZXTQGFWKMSRAKK-SNVBAGLBSA-N 1 2 237.303 0.097 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCO1 ZINC000061512802 368564051 /nfs/dbraw/zinc/56/40/51/368564051.db2.gz KENFIAWCMDGVBQ-VIFPVBQESA-N 1 2 223.276 0.558 20 0 BCADLO CCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC000566982845 326100377 /nfs/dbraw/zinc/10/03/77/326100377.db2.gz OLFBLFQBTRBASQ-MRVPVSSYSA-N 1 2 237.307 0.647 20 0 BCADLO CCc1nnc(NC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC000566982845 326100379 /nfs/dbraw/zinc/10/03/79/326100379.db2.gz OLFBLFQBTRBASQ-MRVPVSSYSA-N 1 2 237.307 0.647 20 0 BCADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)n[nH]1 ZINC000566982845 326100380 /nfs/dbraw/zinc/10/03/80/326100380.db2.gz OLFBLFQBTRBASQ-MRVPVSSYSA-N 1 2 237.307 0.647 20 0 BCADLO CCc1nc(NC(=O)C[N@H+]2CC[C@@H](C)C2)n[nH]1 ZINC000566982845 326100382 /nfs/dbraw/zinc/10/03/82/326100382.db2.gz OLFBLFQBTRBASQ-MRVPVSSYSA-N 1 2 237.307 0.647 20 0 BCADLO CCCCn1nnnc1Cn1cc[nH+]c1 ZINC000063483859 368585512 /nfs/dbraw/zinc/58/55/12/368585512.db2.gz XTIMNNKXAMXXMP-UHFFFAOYSA-N 1 2 206.253 0.718 20 0 BCADLO CNC(=O)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635329 368609968 /nfs/dbraw/zinc/60/99/68/368609968.db2.gz YQLVURXHBLNVDN-UHFFFAOYSA-N 1 2 241.213 0.326 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635329 368609971 /nfs/dbraw/zinc/60/99/71/368609971.db2.gz YQLVURXHBLNVDN-UHFFFAOYSA-N 1 2 241.213 0.326 20 0 BCADLO CC[C@@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000065836480 368631336 /nfs/dbraw/zinc/63/13/36/368631336.db2.gz HQRQILHGKLCGNT-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067661539 368694418 /nfs/dbraw/zinc/69/44/18/368694418.db2.gz MATHQPCLKGBDBD-LLVKDONJSA-N 1 2 242.319 0.398 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067661539 368694423 /nfs/dbraw/zinc/69/44/23/368694423.db2.gz MATHQPCLKGBDBD-LLVKDONJSA-N 1 2 242.319 0.398 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000069324466 368751490 /nfs/dbraw/zinc/75/14/90/368751490.db2.gz VAUYUCOZYZTFES-VIFPVBQESA-N 1 2 209.249 0.036 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000073165346 368796671 /nfs/dbraw/zinc/79/66/71/368796671.db2.gz POOGOZPTGGPQRA-UHFFFAOYSA-N 1 2 249.314 0.224 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000073165346 368796673 /nfs/dbraw/zinc/79/66/73/368796673.db2.gz POOGOZPTGGPQRA-UHFFFAOYSA-N 1 2 249.314 0.224 20 0 BCADLO [NH3+][C@H](C(=O)N1CCOCC1)c1cscn1 ZINC000567344595 326168702 /nfs/dbraw/zinc/16/87/02/326168702.db2.gz LJEPQQNWCJIGJK-QMMMGPOBSA-N 1 2 227.289 0.002 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccoc1 ZINC000618474045 369151728 /nfs/dbraw/zinc/15/17/28/369151728.db2.gz QKOYJXWRVPQRNS-UHFFFAOYSA-N 1 2 219.244 0.835 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457850927 203111333 /nfs/dbraw/zinc/11/13/33/203111333.db2.gz RKFJCZSTYHZVNT-NXEZZACHSA-N 1 2 236.319 0.918 20 0 BCADLO CCO[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000457890056 203118976 /nfs/dbraw/zinc/11/89/76/203118976.db2.gz UINQWRJIVBAMLP-PHIMTYICSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618703247 369201563 /nfs/dbraw/zinc/20/15/63/369201563.db2.gz CHSQNGURMCQDCH-GXFFZTMASA-N 1 2 249.314 0.756 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000618704665 369201618 /nfs/dbraw/zinc/20/16/18/369201618.db2.gz BLQUKTUAYHBTGB-AAEUAGOBSA-N 1 2 249.314 0.768 20 0 BCADLO CCc1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000106884448 369214457 /nfs/dbraw/zinc/21/44/57/369214457.db2.gz AXRHRNFVWAVJNE-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000106884448 369214461 /nfs/dbraw/zinc/21/44/61/369214461.db2.gz AXRHRNFVWAVJNE-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458328855 203160880 /nfs/dbraw/zinc/16/08/80/203160880.db2.gz XSDGXOQTGRTRBA-LPEHRKFASA-N 1 2 242.344 0.033 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458328855 203160882 /nfs/dbraw/zinc/16/08/82/203160882.db2.gz XSDGXOQTGRTRBA-LPEHRKFASA-N 1 2 242.344 0.033 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C)CC1 ZINC000156228665 326223106 /nfs/dbraw/zinc/22/31/06/326223106.db2.gz RLVXLGBISRFXDI-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](O)C23CCC3)c[nH+]1 ZINC000619082582 369278473 /nfs/dbraw/zinc/27/84/73/369278473.db2.gz GZYJAZAXHJEJTM-UWVGGRQHSA-N 1 2 235.287 0.751 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000459281330 203245473 /nfs/dbraw/zinc/24/54/73/203245473.db2.gz CFLWNXQVFYCASS-VHSXEESVSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000459281330 203245476 /nfs/dbraw/zinc/24/54/76/203245476.db2.gz CFLWNXQVFYCASS-VHSXEESVSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000459281329 203246304 /nfs/dbraw/zinc/24/63/04/203246304.db2.gz CFLWNXQVFYCASS-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000459281329 203246306 /nfs/dbraw/zinc/24/63/06/203246306.db2.gz CFLWNXQVFYCASS-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000459309714 203253795 /nfs/dbraw/zinc/25/37/95/203253795.db2.gz ZHUSIRUBHWPHIH-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619075054 369274457 /nfs/dbraw/zinc/27/44/57/369274457.db2.gz LLPRTGUQESPBOL-GHMZBOCLSA-N 1 2 249.314 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619075054 369274461 /nfs/dbraw/zinc/27/44/61/369274461.db2.gz LLPRTGUQESPBOL-GHMZBOCLSA-N 1 2 249.314 0.762 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619075598 369274503 /nfs/dbraw/zinc/27/45/03/369274503.db2.gz ORBKKZDXMZMDLO-GHMZBOCLSA-N 1 2 249.314 0.680 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](O)C12CCC2 ZINC000619075056 369274781 /nfs/dbraw/zinc/27/47/81/369274781.db2.gz LLPRTGUQESPBOL-QWRGUYRKSA-N 1 2 249.314 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](O)C12CCC2 ZINC000619075056 369274785 /nfs/dbraw/zinc/27/47/85/369274785.db2.gz LLPRTGUQESPBOL-QWRGUYRKSA-N 1 2 249.314 0.762 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619075602 369274950 /nfs/dbraw/zinc/27/49/50/369274950.db2.gz ORBKKZDXMZMDLO-MNOVXSKESA-N 1 2 249.314 0.680 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619075027 369275278 /nfs/dbraw/zinc/27/52/78/369275278.db2.gz XMSGDYMPLCFESN-ZJUUUORDSA-N 1 2 235.287 0.303 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000459356213 203266811 /nfs/dbraw/zinc/26/68/11/203266811.db2.gz CCZASAAUDUZDOL-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000459356213 203266815 /nfs/dbraw/zinc/26/68/15/203266815.db2.gz CCZASAAUDUZDOL-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000459385338 203270686 /nfs/dbraw/zinc/27/06/86/203270686.db2.gz HCKKSTDGQIKXBQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000459385338 203270690 /nfs/dbraw/zinc/27/06/90/203270690.db2.gz HCKKSTDGQIKXBQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CC[C@@](COC)([NH2+]CCSC)C(=O)OC ZINC000459554348 203294802 /nfs/dbraw/zinc/29/48/02/203294802.db2.gz DUIJAQAOXHRVHB-JTQLQIEISA-N 1 2 235.349 0.907 20 0 BCADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCO ZINC000201187960 369382671 /nfs/dbraw/zinc/38/26/71/369382671.db2.gz SSXPZBSTURJBDE-LLVKDONJSA-N 1 2 223.272 0.353 20 0 BCADLO COCCCOC1C[NH+](Cc2cnn(C)c2)C1 ZINC000459589239 203310035 /nfs/dbraw/zinc/31/00/35/203310035.db2.gz HPDMHJUADDEPHL-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000400282377 369347012 /nfs/dbraw/zinc/34/70/12/369347012.db2.gz JUAJYNSBLQYNJH-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000400282377 369347015 /nfs/dbraw/zinc/34/70/15/369347015.db2.gz JUAJYNSBLQYNJH-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCOC1(C)CN(c2nc[nH+]c(N)c2OC)C1 ZINC000400430919 369349619 /nfs/dbraw/zinc/34/96/19/369349619.db2.gz BSIMWYAMYJIHRW-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO CCOC1(C)CN(c2[nH+]cnc(N)c2OC)C1 ZINC000400430919 369349622 /nfs/dbraw/zinc/34/96/22/369349622.db2.gz BSIMWYAMYJIHRW-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@H](C(=O)OC)C2)n1 ZINC000107819694 369361094 /nfs/dbraw/zinc/36/10/94/369361094.db2.gz LDYDIOJQMHRWAF-QMMMGPOBSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@H](C(=O)OC)C2)n1 ZINC000107819694 369361097 /nfs/dbraw/zinc/36/10/97/369361097.db2.gz LDYDIOJQMHRWAF-QMMMGPOBSA-N 1 2 239.275 0.627 20 0 BCADLO CC[C@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511307 369454871 /nfs/dbraw/zinc/45/48/71/369454871.db2.gz RYHNRAHIANNQLJ-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511307 369454875 /nfs/dbraw/zinc/45/48/75/369454875.db2.gz RYHNRAHIANNQLJ-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCOC1 ZINC000619513104 369455846 /nfs/dbraw/zinc/45/58/46/369455846.db2.gz FMLPFKFZPHDBPM-UTLUCORTSA-N 1 2 231.267 0.608 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCOC1 ZINC000619513104 369455851 /nfs/dbraw/zinc/45/58/51/369455851.db2.gz FMLPFKFZPHDBPM-UTLUCORTSA-N 1 2 231.267 0.608 20 0 BCADLO CCOC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000459719068 203342952 /nfs/dbraw/zinc/34/29/52/203342952.db2.gz RSZSMUUGOKXXHI-SECBINFHSA-N 1 2 240.307 0.901 20 0 BCADLO CCOC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000459719068 203342954 /nfs/dbraw/zinc/34/29/54/203342954.db2.gz RSZSMUUGOKXXHI-SECBINFHSA-N 1 2 240.307 0.901 20 0 BCADLO Cc1ccn(CC(=O)NCCCn2cc[nH+]c2)n1 ZINC000082171125 370965585 /nfs/dbraw/zinc/96/55/85/370965585.db2.gz UBCQDTQLMVBFKU-UHFFFAOYSA-N 1 2 247.302 0.595 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]1C ZINC000619661366 369513420 /nfs/dbraw/zinc/51/34/20/369513420.db2.gz XJUQUVZBWUVTPM-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]1C ZINC000619661368 369513945 /nfs/dbraw/zinc/51/39/45/369513945.db2.gz XJUQUVZBWUVTPM-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459781024 203367456 /nfs/dbraw/zinc/36/74/56/203367456.db2.gz GRIWUYNBFKEXES-JTQLQIEISA-N 1 2 238.335 0.939 20 0 BCADLO CN(C)c1noc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459798136 203371998 /nfs/dbraw/zinc/37/19/98/203371998.db2.gz UPVJZDRTYRUQFV-YUMQZZPRSA-N 1 2 240.332 0.825 20 0 BCADLO CN(C)c1noc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459798136 203372002 /nfs/dbraw/zinc/37/20/02/203372002.db2.gz UPVJZDRTYRUQFV-YUMQZZPRSA-N 1 2 240.332 0.825 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000620060720 369692317 /nfs/dbraw/zinc/69/23/17/369692317.db2.gz JPKKYHDVUFGLRX-IUCAKERBSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000620060720 369692320 /nfs/dbraw/zinc/69/23/20/369692320.db2.gz JPKKYHDVUFGLRX-IUCAKERBSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1([C@H](C)O)CC1 ZINC000620074533 369707454 /nfs/dbraw/zinc/70/74/54/369707454.db2.gz IGRNLRMWYOCXCP-BDAKNGLRSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1([C@H](C)O)CC1 ZINC000620074533 369707455 /nfs/dbraw/zinc/70/74/55/369707455.db2.gz IGRNLRMWYOCXCP-BDAKNGLRSA-N 1 2 237.303 0.618 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000620167873 369756039 /nfs/dbraw/zinc/75/60/39/369756039.db2.gz YRQUGLZPOIDZFP-VIFPVBQESA-N 1 2 235.287 0.665 20 0 BCADLO C[C@H](CC(N)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000620316912 369830320 /nfs/dbraw/zinc/83/03/20/369830320.db2.gz KXJQIIKDZJMTDZ-MRVPVSSYSA-N 1 2 246.270 0.784 20 0 BCADLO COCCNC(=O)CCCn1cc[nH+]c1 ZINC000620411856 369867832 /nfs/dbraw/zinc/86/78/32/369867832.db2.gz YSAOTDCBAANMQK-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@]1(C)CO ZINC000620454933 369884459 /nfs/dbraw/zinc/88/44/59/369884459.db2.gz FUWWSZRQELQINT-CMPLNLGQSA-N 1 2 237.303 0.360 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620599970 369949475 /nfs/dbraw/zinc/94/94/75/369949475.db2.gz KTQKFJSCCAYQMR-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO COCCOCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620600976 369950658 /nfs/dbraw/zinc/95/06/58/369950658.db2.gz SNQPEAMDZJAYLG-VIFPVBQESA-N 1 2 241.291 0.260 20 0 BCADLO COCCOCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620600973 369950691 /nfs/dbraw/zinc/95/06/91/369950691.db2.gz SNQPEAMDZJAYLG-SECBINFHSA-N 1 2 241.291 0.260 20 0 BCADLO C[C@@H](NC(=O)C1(O)CCC1)c1[nH+]ccn1C ZINC000620604046 369951855 /nfs/dbraw/zinc/95/18/55/369951855.db2.gz NOMRQKSIYLUXJL-MRVPVSSYSA-N 1 2 223.276 0.512 20 0 BCADLO Cc1cn2ccc(NC(=O)[C@@H](C)O)cc2[nH+]1 ZINC000620650087 369972412 /nfs/dbraw/zinc/97/24/12/369972412.db2.gz LKPLWFOEOBCECU-MRVPVSSYSA-N 1 2 219.244 0.962 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000620547959 369913225 /nfs/dbraw/zinc/91/32/25/369913225.db2.gz JPSPYCBRIVGYJI-CWSCBRNRSA-N 1 2 249.314 0.739 20 0 BCADLO CCn1nccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000621117925 370113262 /nfs/dbraw/zinc/11/32/62/370113262.db2.gz BPQRUXZEQAKHKP-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CCn1nccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000621117925 370113265 /nfs/dbraw/zinc/11/32/65/370113265.db2.gz BPQRUXZEQAKHKP-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](O)CC(F)(F)F)no1 ZINC000307949500 370069238 /nfs/dbraw/zinc/06/92/38/370069238.db2.gz QNSDIGBNBRNTJP-LURJTMIESA-N 1 2 239.197 0.781 20 0 BCADLO CCCCOCC[NH+]1CCS(=O)CC1 ZINC000111691867 370172412 /nfs/dbraw/zinc/17/24/12/370172412.db2.gz RMXKNJHXGICVTG-UHFFFAOYSA-N 1 2 219.350 0.867 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccco1 ZINC000621243134 370176344 /nfs/dbraw/zinc/17/63/44/370176344.db2.gz MHPCEXMUFVIIQZ-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccco1 ZINC000621243134 370176348 /nfs/dbraw/zinc/17/63/48/370176348.db2.gz MHPCEXMUFVIIQZ-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO CC[N@H+](CCS(=O)(=O)NC)Cc1ccoc1 ZINC000621254247 370186096 /nfs/dbraw/zinc/18/60/96/370186096.db2.gz MXFKWWXOPUMXNC-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CC[N@@H+](CCS(=O)(=O)NC)Cc1ccoc1 ZINC000621254247 370186099 /nfs/dbraw/zinc/18/60/99/370186099.db2.gz MXFKWWXOPUMXNC-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC3CC2(C)C3)C1 ZINC000621213827 370157037 /nfs/dbraw/zinc/15/70/37/370157037.db2.gz CHEJSRXIXVHJGK-YZRBJQDESA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC3CC2(C)C3)C1 ZINC000621213827 370157040 /nfs/dbraw/zinc/15/70/40/370157040.db2.gz CHEJSRXIXVHJGK-YZRBJQDESA-N 1 2 224.304 0.328 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccnc(C)c1 ZINC000621297961 370226031 /nfs/dbraw/zinc/22/60/31/370226031.db2.gz DVYMEFGEBSBKMC-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccnc(C)c1 ZINC000621297961 370226032 /nfs/dbraw/zinc/22/60/32/370226032.db2.gz DVYMEFGEBSBKMC-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000112019929 370206237 /nfs/dbraw/zinc/20/62/37/370206237.db2.gz BMXVADZATOLHLC-UHFFFAOYSA-N 1 2 203.205 0.022 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](C)OC ZINC000309817262 370264866 /nfs/dbraw/zinc/26/48/66/370264866.db2.gz BUWIIXPBRBQNEX-SSDOTTSWSA-N 1 2 226.280 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](C)OC ZINC000309817262 370264869 /nfs/dbraw/zinc/26/48/69/370264869.db2.gz BUWIIXPBRBQNEX-SSDOTTSWSA-N 1 2 226.280 0.904 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621379332 370323102 /nfs/dbraw/zinc/32/31/02/370323102.db2.gz RSIRWLAHJAMUMK-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621379332 370323104 /nfs/dbraw/zinc/32/31/04/370323104.db2.gz RSIRWLAHJAMUMK-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H](CO)C1 ZINC000310392484 370342727 /nfs/dbraw/zinc/34/27/27/370342727.db2.gz LGBJDPPJFZVDHN-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cccc(CO)c1 ZINC000311230974 370396081 /nfs/dbraw/zinc/39/60/81/370396081.db2.gz RCAKBJOOEDWPJL-UHFFFAOYSA-N 1 2 245.282 0.692 20 0 BCADLO CCc1noc(C[N@@H+]2CCCOCC2)n1 ZINC000621625549 370407818 /nfs/dbraw/zinc/40/78/18/370407818.db2.gz YKSZWRXRPGMDEI-UHFFFAOYSA-N 1 2 211.265 0.854 20 0 BCADLO CCc1noc(C[N@H+]2CCCOCC2)n1 ZINC000621625549 370407825 /nfs/dbraw/zinc/40/78/25/370407825.db2.gz YKSZWRXRPGMDEI-UHFFFAOYSA-N 1 2 211.265 0.854 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CC)CC ZINC000077377327 370414048 /nfs/dbraw/zinc/41/40/48/370414048.db2.gz VOXCPXNXTNIJPY-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CC)CC ZINC000077377327 370414056 /nfs/dbraw/zinc/41/40/56/370414056.db2.gz VOXCPXNXTNIJPY-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000621724919 370477517 /nfs/dbraw/zinc/47/75/17/370477517.db2.gz YCZOLTQKLYGRPX-UWVGGRQHSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000621724919 370477521 /nfs/dbraw/zinc/47/75/21/370477521.db2.gz YCZOLTQKLYGRPX-UWVGGRQHSA-N 1 2 225.267 0.690 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000621712666 370459185 /nfs/dbraw/zinc/45/91/85/370459185.db2.gz KUZUHKHLBAZLMS-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC000621712666 370459186 /nfs/dbraw/zinc/45/91/86/370459186.db2.gz KUZUHKHLBAZLMS-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO COCc1cc(C[NH2+]C2CN(C(C)=O)C2)no1 ZINC000568295095 326342431 /nfs/dbraw/zinc/34/24/31/326342431.db2.gz PLUYQHXMNGQMDU-UHFFFAOYSA-N 1 2 239.275 0.141 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000621717568 370468017 /nfs/dbraw/zinc/46/80/17/370468017.db2.gz HWIFGWJEOHSLHM-UHFFFAOYSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000621717568 370468020 /nfs/dbraw/zinc/46/80/20/370468020.db2.gz HWIFGWJEOHSLHM-UHFFFAOYSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1nccnc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000621718915 370469192 /nfs/dbraw/zinc/46/91/92/370469192.db2.gz WPPRCCWFXCCGAY-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO Cc1nccnc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000621718915 370469195 /nfs/dbraw/zinc/46/91/95/370469195.db2.gz WPPRCCWFXCCGAY-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO CCOc1cncc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000621720280 370470583 /nfs/dbraw/zinc/47/05/83/370470583.db2.gz RQZMJBMUTAKFGE-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1cncc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000621720280 370470586 /nfs/dbraw/zinc/47/05/86/370470586.db2.gz RQZMJBMUTAKFGE-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000621720329 370471214 /nfs/dbraw/zinc/47/12/14/370471214.db2.gz UOEQUNUJTXDCAJ-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000621720329 370471216 /nfs/dbraw/zinc/47/12/16/370471216.db2.gz UOEQUNUJTXDCAJ-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000621725982 370478950 /nfs/dbraw/zinc/47/89/50/370478950.db2.gz GFMUAJJMHLRXBJ-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000621725982 370478954 /nfs/dbraw/zinc/47/89/54/370478954.db2.gz GFMUAJJMHLRXBJ-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000621725981 370479146 /nfs/dbraw/zinc/47/91/46/370479146.db2.gz GFMUAJJMHLRXBJ-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000621725981 370479149 /nfs/dbraw/zinc/47/91/49/370479149.db2.gz GFMUAJJMHLRXBJ-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1nccnc1C ZINC000621724497 370476815 /nfs/dbraw/zinc/47/68/15/370476815.db2.gz KNDYIEUDRDUWNX-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1nccnc1C ZINC000621724497 370476821 /nfs/dbraw/zinc/47/68/21/370476821.db2.gz KNDYIEUDRDUWNX-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CCOc1cncc(C[N@H+](CC)CC(N)=O)c1 ZINC000621724840 370476875 /nfs/dbraw/zinc/47/68/75/370476875.db2.gz VJUPUQQJNOMEET-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCOc1cncc(C[N@@H+](CC)CC(N)=O)c1 ZINC000621724840 370476879 /nfs/dbraw/zinc/47/68/79/370476879.db2.gz VJUPUQQJNOMEET-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCc1nnc(C[NH2+]C(C)(C)C(=O)N(C)C)[nH]1 ZINC000159146493 326348760 /nfs/dbraw/zinc/34/87/60/326348760.db2.gz KDOJLCAVHZEFAI-UHFFFAOYSA-N 1 2 239.323 0.324 20 0 BCADLO CCc1cc(N[C@@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000078637766 370582402 /nfs/dbraw/zinc/58/24/02/370582402.db2.gz OTSHTBOZSCPMIB-QMMMGPOBSA-N 1 2 243.332 0.884 20 0 BCADLO CC(C)(O)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621959195 370621406 /nfs/dbraw/zinc/62/14/06/370621406.db2.gz MTKIUBLLCVPPEZ-UHFFFAOYSA-N 1 2 239.319 0.965 20 0 BCADLO CC(C)(C(=O)N1CCC[C@H](O)C1)c1c[nH+]c[nH]1 ZINC000621978992 370637218 /nfs/dbraw/zinc/63/72/18/370637218.db2.gz JZYMPEDVGRZJMK-VIFPVBQESA-N 1 2 237.303 0.671 20 0 BCADLO COC(=O)C(C)(C)[NH2+][C@H]1CCCOC1 ZINC000070013204 371002473 /nfs/dbraw/zinc/00/24/73/371002473.db2.gz MCLMDMDYBDZYIN-QMMMGPOBSA-N 1 2 201.266 0.707 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cnns2)c1 ZINC000622685652 371062907 /nfs/dbraw/zinc/06/29/07/371062907.db2.gz DCGDRADUUZJAAU-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO CC[C@H](O)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622686521 371064355 /nfs/dbraw/zinc/06/43/55/371064355.db2.gz LIMQHCUDYLSVIJ-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC000623809021 371103965 /nfs/dbraw/zinc/10/39/65/371103965.db2.gz MYRCQNUAOLABRW-KYZUINATSA-N 1 2 239.323 0.695 20 0 BCADLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000276534815 371145060 /nfs/dbraw/zinc/14/50/60/371145060.db2.gz FJTQRJUQODNMCZ-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000276534815 371145063 /nfs/dbraw/zinc/14/50/63/371145063.db2.gz FJTQRJUQODNMCZ-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(O)CCC2)C1 ZINC000569016552 326387099 /nfs/dbraw/zinc/38/70/99/326387099.db2.gz AKEGGGANOHITNU-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO C[C@@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CCCCO1 ZINC000623927589 371158810 /nfs/dbraw/zinc/15/88/10/371158810.db2.gz NHZITYULJJFVRK-ZJUUUORDSA-N 1 2 224.308 0.862 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000124926039 371258388 /nfs/dbraw/zinc/25/83/88/371258388.db2.gz XDPBUCPIVNFZSY-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C12CC(C1)C2 ZINC000624139983 371336998 /nfs/dbraw/zinc/33/69/98/371336998.db2.gz YZPSJMNBKFYJSW-XSRFYTQQSA-N 1 2 238.331 0.623 20 0 BCADLO NC(=O)[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000624213177 371399561 /nfs/dbraw/zinc/39/95/61/371399561.db2.gz PAHYEVJCTLCJKW-LLVKDONJSA-N 1 2 230.271 0.726 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252652 371439367 /nfs/dbraw/zinc/43/93/67/371439367.db2.gz KTLXTKGUJWMBAU-QWRGUYRKSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252652 371439371 /nfs/dbraw/zinc/43/93/71/371439371.db2.gz KTLXTKGUJWMBAU-QWRGUYRKSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252651 371439418 /nfs/dbraw/zinc/43/94/18/371439418.db2.gz KTLXTKGUJWMBAU-MNOVXSKESA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252651 371439420 /nfs/dbraw/zinc/43/94/20/371439420.db2.gz KTLXTKGUJWMBAU-MNOVXSKESA-N 1 2 249.314 0.719 20 0 BCADLO C1=CCN(c2cc3c(n[nH+]2)CCC3)NC1 ZINC000624417019 371504540 /nfs/dbraw/zinc/50/45/40/371504540.db2.gz OENSUNGGIZWLDY-UHFFFAOYSA-N 1 2 202.261 0.846 20 0 BCADLO Cn1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000627367390 371586114 /nfs/dbraw/zinc/58/61/14/371586114.db2.gz SFTNWMKJBXNMFO-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO Cn1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000627367390 371586115 /nfs/dbraw/zinc/58/61/15/371586115.db2.gz SFTNWMKJBXNMFO-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO COC[C@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627369451 371588734 /nfs/dbraw/zinc/58/87/34/371588734.db2.gz UCSOTZAFMBJHKW-SECBINFHSA-N 1 2 237.303 0.967 20 0 BCADLO COC[C@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627369451 371588742 /nfs/dbraw/zinc/58/87/42/371588742.db2.gz UCSOTZAFMBJHKW-SECBINFHSA-N 1 2 237.303 0.967 20 0 BCADLO CO[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627371564 371590112 /nfs/dbraw/zinc/59/01/12/371590112.db2.gz JOHPBFQWDNSZJB-NSHDSACASA-N 1 2 235.287 0.719 20 0 BCADLO CO[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627371564 371590117 /nfs/dbraw/zinc/59/01/17/371590117.db2.gz JOHPBFQWDNSZJB-NSHDSACASA-N 1 2 235.287 0.719 20 0 BCADLO CO[C@H]1C[NH+](Cc2nnc(C)o2)C[C@@H]1OC ZINC000351645849 371650397 /nfs/dbraw/zinc/65/03/97/371650397.db2.gz FMOQOXUAQWMPNZ-IUCAKERBSA-N 1 2 227.264 0.224 20 0 BCADLO Cn1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000226955105 371760266 /nfs/dbraw/zinc/76/02/66/371760266.db2.gz MIZIEBLSJXULEI-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@@H]1CCC(=O)N1 ZINC000227112253 371787084 /nfs/dbraw/zinc/78/70/84/371787084.db2.gz OXHVBDLPAVCRAN-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@@H]1CCC(=O)N1 ZINC000227112253 371787092 /nfs/dbraw/zinc/78/70/92/371787092.db2.gz OXHVBDLPAVCRAN-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1O ZINC000276511455 181834714 /nfs/dbraw/zinc/83/47/14/181834714.db2.gz BHDWBBAJOCSHKS-PFDYWKIBSA-N 1 2 235.287 0.843 20 0 BCADLO Cc1nc(CNc2[nH+]cnc3c2cnn3C)no1 ZINC000227633174 371911939 /nfs/dbraw/zinc/91/19/39/371911939.db2.gz HWJPSFXZNVVQCT-UHFFFAOYSA-N 1 2 245.246 0.667 20 0 BCADLO Cc1cc(NCC2(C)OCCO2)nc[nH+]1 ZINC000307282331 372107368 /nfs/dbraw/zinc/10/73/68/372107368.db2.gz IKHTYIUSVKZJRZ-UHFFFAOYSA-N 1 2 209.249 0.960 20 0 BCADLO O=C(c1ccn[nH]1)N1CC[NH+](CCCF)CC1 ZINC000627955834 372154265 /nfs/dbraw/zinc/15/42/65/372154265.db2.gz DULQRNCBNMVUBD-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO O=C(c1cc[nH]n1)N1CC[NH+](CCCF)CC1 ZINC000627955834 372154268 /nfs/dbraw/zinc/15/42/68/372154268.db2.gz DULQRNCBNMVUBD-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO O[C@H](CC[NH2+]Cc1ccn[nH]1)C(F)F ZINC000631216412 372238613 /nfs/dbraw/zinc/23/86/13/372238613.db2.gz JNTOHZSZWLHJEM-SSDOTTSWSA-N 1 2 205.208 0.515 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1nnc(C2CC2)o1 ZINC000631314104 372290314 /nfs/dbraw/zinc/29/03/14/372290314.db2.gz FLBPXXDXPZIXOB-UHFFFAOYSA-N 1 2 247.258 0.574 20 0 BCADLO O=C(Cc1ncn[nH]1)N1CC[NH+](C2CCC2)CC1 ZINC000631288583 372278711 /nfs/dbraw/zinc/27/87/11/372278711.db2.gz XPLDXEOPJDFAPL-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO O=C(CCC1(O)CCC1)NCc1c[nH+]c[nH]1 ZINC000631414271 372348521 /nfs/dbraw/zinc/34/85/21/372348521.db2.gz QTKIZVJTBGCCEC-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO O=C(CCC1(O)CCC1)NCc1c[nH]c[nH+]1 ZINC000631414271 372348528 /nfs/dbraw/zinc/34/85/28/372348528.db2.gz QTKIZVJTBGCCEC-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418762 372575212 /nfs/dbraw/zinc/57/52/12/372575212.db2.gz XWIVGUPWTOOXOL-MNOVXSKESA-N 1 2 226.320 0.433 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)Nc1cc(C)[nH+]cc1C ZINC000632023378 372729389 /nfs/dbraw/zinc/72/93/89/372729389.db2.gz LHKZVIMJZQXSII-NSHDSACASA-N 1 2 249.314 0.974 20 0 BCADLO C[NH+](C)C1(CS(=O)(=O)NCC(F)F)CC1 ZINC000632053764 372740798 /nfs/dbraw/zinc/74/07/98/372740798.db2.gz BOZJGCHSSASYAM-UHFFFAOYSA-N 1 2 242.291 0.265 20 0 BCADLO CC(C)(NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000521886671 259556697 /nfs/dbraw/zinc/55/66/97/259556697.db2.gz GULUOXDCYMFPGK-QMMMGPOBSA-N 1 2 223.276 0.798 20 0 BCADLO CCn1ncc(C(=O)Nc2cc[nH+]cc2O)c1C ZINC000632169854 372790053 /nfs/dbraw/zinc/79/00/53/372790053.db2.gz HYLHJRQMCCPDMS-UHFFFAOYSA-N 1 2 246.270 0.986 20 0 BCADLO O=C(COc1cccnc1)NCc1[nH]cc[nH+]1 ZINC000358165910 182005036 /nfs/dbraw/zinc/00/50/36/182005036.db2.gz WZIWANWEBXYXBV-UHFFFAOYSA-N 1 2 232.243 0.500 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)C ZINC000632405088 372923122 /nfs/dbraw/zinc/92/31/22/372923122.db2.gz IIDXPMFRCTYCEQ-QMMMGPOBSA-N 1 2 246.336 0.360 20 0 BCADLO O=C(C[C@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000368189255 182029863 /nfs/dbraw/zinc/02/98/63/182029863.db2.gz HAAKZWAZOBCRTD-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO Cc1conc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000632565107 373002988 /nfs/dbraw/zinc/00/29/88/373002988.db2.gz UORCSVDUZHMYJM-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO O=C(Cc1ccncc1)N1CCn2cc[nH+]c2C1 ZINC000332609873 182053601 /nfs/dbraw/zinc/05/36/01/182053601.db2.gz FRNZRXTUYPACRV-UHFFFAOYSA-N 1 2 242.282 0.863 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC(O)C1 ZINC000062808845 182058793 /nfs/dbraw/zinc/05/87/93/182058793.db2.gz NVJJUVPKXBMRKO-UHFFFAOYSA-N 1 2 231.255 0.080 20 0 BCADLO O=C(Cc1cncs1)N1CCn2cc[nH+]c2C1 ZINC000332200828 182060379 /nfs/dbraw/zinc/06/03/79/182060379.db2.gz CVLPTCBQYAGORV-UHFFFAOYSA-N 1 2 248.311 0.925 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCc2n[nH]cc21 ZINC000330184213 182070664 /nfs/dbraw/zinc/07/06/64/182070664.db2.gz QNEZDOSSGOYGEJ-UHFFFAOYSA-N 1 2 231.259 0.586 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)C1CCCC1 ZINC000291578899 182071737 /nfs/dbraw/zinc/07/17/37/182071737.db2.gz YQRQNDJHHAFKNE-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCSC1 ZINC000266946002 182071074 /nfs/dbraw/zinc/07/10/74/182071074.db2.gz WJFOCHPRDYTAMO-QMMMGPOBSA-N 1 2 211.290 0.505 20 0 BCADLO CCN(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632749657 373120329 /nfs/dbraw/zinc/12/03/29/373120329.db2.gz DUTVDVDTLFFESQ-UHFFFAOYSA-N 1 2 232.309 0.038 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](n2cccn2)C1 ZINC000361197622 182071905 /nfs/dbraw/zinc/07/19/05/182071905.db2.gz INZSLHSTJSUMTM-LLVKDONJSA-N 1 2 245.286 0.553 20 0 BCADLO CO[C@H](C)CS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755277 373128285 /nfs/dbraw/zinc/12/82/85/373128285.db2.gz AJHUCNHHOIGBJL-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccncc1F ZINC000358345084 182084900 /nfs/dbraw/zinc/08/49/00/182084900.db2.gz XZJFIJJGAMURKS-UHFFFAOYSA-N 1 2 233.202 0.996 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cc[nH]c1 ZINC000334254566 182085016 /nfs/dbraw/zinc/08/50/16/182085016.db2.gz KTRTZEYYUTYMGE-UHFFFAOYSA-N 1 2 203.201 0.790 20 0 BCADLO COCCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632871736 373200900 /nfs/dbraw/zinc/20/09/00/373200900.db2.gz IFTCXNCBLZRIEQ-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO O=C(N1CCOCC1)N1CCn2c[nH+]cc2C1 ZINC000329523411 182082487 /nfs/dbraw/zinc/08/24/87/182082487.db2.gz PWQKROQMPBKHMU-UHFFFAOYSA-N 1 2 236.275 0.151 20 0 BCADLO O=C(N1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000336490532 182083300 /nfs/dbraw/zinc/08/33/00/182083300.db2.gz RXYKDMCEEIPNBK-UHFFFAOYSA-N 1 2 221.260 0.140 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1cc[nH]n1 ZINC000040436301 373263712 /nfs/dbraw/zinc/26/37/12/373263712.db2.gz QLWPEKBIOHTDIG-UHFFFAOYSA-N 1 2 229.247 0.699 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363097177 182099138 /nfs/dbraw/zinc/09/91/38/182099138.db2.gz OAIPYHGNLPOGCP-MRVPVSSYSA-N 1 2 205.261 0.724 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)Cc1nc[nH]n1 ZINC000633191854 373334160 /nfs/dbraw/zinc/33/41/60/373334160.db2.gz XJYHTELFGPGPCX-UHFFFAOYSA-N 1 2 247.258 0.067 20 0 BCADLO CC(=O)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000633223050 373368917 /nfs/dbraw/zinc/36/89/17/373368917.db2.gz KGCJZFVEWJGOQY-NSHDSACASA-N 1 2 242.319 0.143 20 0 BCADLO CC(=O)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000633223050 373368918 /nfs/dbraw/zinc/36/89/18/373368918.db2.gz KGCJZFVEWJGOQY-NSHDSACASA-N 1 2 242.319 0.143 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](C)O1 ZINC000633304843 373461524 /nfs/dbraw/zinc/46/15/24/373461524.db2.gz VRGDXOMFKZDYJW-WDCWCFNPSA-N 1 2 249.314 0.738 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364425938 182131110 /nfs/dbraw/zinc/13/11/10/182131110.db2.gz PTDPEOLHPQDBEU-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO CCOC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000633394274 373522303 /nfs/dbraw/zinc/52/23/03/373522303.db2.gz XTVNSUVLMSRNTB-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H](NC(=O)c1c[nH]c(=O)n1C)c1[nH+]ccn1C ZINC000633649723 373659273 /nfs/dbraw/zinc/65/92/73/373659273.db2.gz OXUCVIIDUGSXDU-ZETCQYMHSA-N 1 2 249.274 0.350 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCCSC1)[C@H](C)O ZINC000191962026 205697254 /nfs/dbraw/zinc/69/72/54/205697254.db2.gz ZBUMXOXMPWPSBS-DJLDLDEBSA-N 1 2 233.333 0.394 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)c1nnc[nH]1 ZINC000269500843 182168236 /nfs/dbraw/zinc/16/82/36/182168236.db2.gz DTEUUIOPETXMOO-UHFFFAOYSA-N 1 2 246.274 0.432 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000633824795 373775240 /nfs/dbraw/zinc/77/52/40/373775240.db2.gz JVHFESLSQBKYPQ-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO O=C(NCCCF)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370681259 182167774 /nfs/dbraw/zinc/16/77/74/182167774.db2.gz AYZAPFZRIQPXMD-MRVPVSSYSA-N 1 2 240.282 0.926 20 0 BCADLO O=C(NCCCF)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370681259 182167775 /nfs/dbraw/zinc/16/77/75/182167775.db2.gz AYZAPFZRIQPXMD-MRVPVSSYSA-N 1 2 240.282 0.926 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@]12CCOC2 ZINC000364081163 182178922 /nfs/dbraw/zinc/17/89/22/182178922.db2.gz LMOOPZUMZNFFRP-YPMHNXCESA-N 1 2 249.314 0.816 20 0 BCADLO O=C(NCCF)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366475500 182180746 /nfs/dbraw/zinc/18/07/46/182180746.db2.gz QEWZQJBTDFPLBL-SNVBAGLBSA-N 1 2 245.298 0.118 20 0 BCADLO O=C(NCCF)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366475500 182180747 /nfs/dbraw/zinc/18/07/47/182180747.db2.gz QEWZQJBTDFPLBL-SNVBAGLBSA-N 1 2 245.298 0.118 20 0 BCADLO O=C(NCC[N@H+]1CC=CCC1)c1cnns1 ZINC000280269905 182181893 /nfs/dbraw/zinc/18/18/93/182181893.db2.gz PFMQNRZFKJENJO-UHFFFAOYSA-N 1 2 238.316 0.530 20 0 BCADLO O=C(NCC[N@@H+]1CC=CCC1)c1cnns1 ZINC000280269905 182181894 /nfs/dbraw/zinc/18/18/94/182181894.db2.gz PFMQNRZFKJENJO-UHFFFAOYSA-N 1 2 238.316 0.530 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)c1ccsc1 ZINC000049031777 182187397 /nfs/dbraw/zinc/18/73/97/182187397.db2.gz VFDPDPIRFIAMQY-UHFFFAOYSA-N 1 2 240.328 0.810 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000247407991 182188821 /nfs/dbraw/zinc/18/88/21/182188821.db2.gz OVPUHDMDGUGILZ-JTQLQIEISA-N 1 2 235.287 0.646 20 0 BCADLO CCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000060894849 168851624 /nfs/dbraw/zinc/85/16/24/168851624.db2.gz LLEBNTOBPRCOEM-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)O1 ZINC000634033453 373923107 /nfs/dbraw/zinc/92/31/07/373923107.db2.gz VEHNDBLPJPEWLB-KKZNHRDASA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)O1 ZINC000634033458 373923838 /nfs/dbraw/zinc/92/38/38/373923838.db2.gz VEHNDBLPJPEWLB-YWVKMMECSA-N 1 2 237.303 0.645 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H](F)C(F)(F)F ZINC000289723553 182215523 /nfs/dbraw/zinc/21/55/23/182215523.db2.gz ZGHORIPWTHUIHR-ZCFIWIBFSA-N 1 2 239.172 0.900 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C(F)C(F)(F)F ZINC000289723553 182215524 /nfs/dbraw/zinc/21/55/24/182215524.db2.gz ZGHORIPWTHUIHR-ZCFIWIBFSA-N 1 2 239.172 0.900 20 0 BCADLO CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)COC1 ZINC000634190977 374004235 /nfs/dbraw/zinc/00/42/35/374004235.db2.gz TUOYMUDZXHKLGU-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C(F)F ZINC000337743643 182214928 /nfs/dbraw/zinc/21/49/28/182214928.db2.gz FEOFNGFCGROKLZ-HTQZYQBOSA-N 1 2 229.230 0.901 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@@H]2C[C@@H]21 ZINC000366121548 182215579 /nfs/dbraw/zinc/21/55/79/182215579.db2.gz ARRJDXRNSSFFJA-VHSXEESVSA-N 1 2 236.275 0.066 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)C[C@H]1C1CC1 ZINC000634171975 373982354 /nfs/dbraw/zinc/98/23/54/373982354.db2.gz FLLOUFHHQCOVHB-RYUDHWBXSA-N 1 2 249.314 0.334 20 0 BCADLO N[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC1(F)F ZINC000634250633 374051187 /nfs/dbraw/zinc/05/11/87/374051187.db2.gz SMFLEDHMWVJSOF-SECBINFHSA-N 1 2 244.245 0.126 20 0 BCADLO O=C(NC1COC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000634258220 374066659 /nfs/dbraw/zinc/06/66/59/374066659.db2.gz HCWVKUVGZTVYEG-SSDOTTSWSA-N 1 2 221.260 0.030 20 0 BCADLO O=C(NC1COC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000634258220 374066663 /nfs/dbraw/zinc/06/66/63/374066663.db2.gz HCWVKUVGZTVYEG-SSDOTTSWSA-N 1 2 221.260 0.030 20 0 BCADLO C[C@@H](CC(=O)NC1COC1)n1cc[nH+]c1 ZINC000634260364 374074648 /nfs/dbraw/zinc/07/46/48/374074648.db2.gz MHCXNKKHRSZLQX-QMMMGPOBSA-N 1 2 209.249 0.349 20 0 BCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000114858081 182245604 /nfs/dbraw/zinc/24/56/04/182245604.db2.gz RAUKPERGJMYTOZ-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000114858081 182245606 /nfs/dbraw/zinc/24/56/06/182245606.db2.gz RAUKPERGJMYTOZ-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cnc[nH]1 ZINC000354634803 182264663 /nfs/dbraw/zinc/26/46/63/182264663.db2.gz PUKCVFHWSRXRCT-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CC(C)N1CC[C@@H]([NH+]2CCN(C)CC2)C1=O ZINC000175068670 374286033 /nfs/dbraw/zinc/28/60/33/374286033.db2.gz CXLUFHOTLNHERC-LLVKDONJSA-N 1 2 225.336 0.243 20 0 BCADLO CC(C)N1CC[C@H]([NH+]2CCN(C)CC2)C1=O ZINC000175068653 374286048 /nfs/dbraw/zinc/28/60/48/374286048.db2.gz CXLUFHOTLNHERC-NSHDSACASA-N 1 2 225.336 0.243 20 0 BCADLO O=C(NCc1ccoc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375409082 182266454 /nfs/dbraw/zinc/26/64/54/182266454.db2.gz PGJBKSCZUPFTGR-MRVPVSSYSA-N 1 2 230.214 0.893 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccn[nH]1 ZINC000045015418 182269047 /nfs/dbraw/zinc/26/90/47/182269047.db2.gz LRYVEKMXCCXFFV-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H]1F ZINC000424635331 206044483 /nfs/dbraw/zinc/04/44/83/206044483.db2.gz BTQLRATUOMMOBU-ZYHUDNBSSA-N 1 2 244.310 0.525 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)c1ccc2[nH+]ccn2c1 ZINC000178628918 182300260 /nfs/dbraw/zinc/30/02/60/182300260.db2.gz HNSLDRUBQDLLGQ-GHMZBOCLSA-N 1 2 245.282 0.978 20 0 BCADLO Cn1nnc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000440499659 206078754 /nfs/dbraw/zinc/07/87/54/206078754.db2.gz ACPSZSANKLUFNP-WDEREUQCSA-N 1 2 237.307 0.257 20 0 BCADLO O=C(N[C@H]1CC[N@H+](Cc2cc[nH]n2)C1)C1CCC1 ZINC000378352994 182333954 /nfs/dbraw/zinc/33/39/54/182333954.db2.gz WODWMRHCCAUAFJ-NSHDSACASA-N 1 2 248.330 0.900 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C1CCC1 ZINC000378352994 182333957 /nfs/dbraw/zinc/33/39/57/182333957.db2.gz WODWMRHCCAUAFJ-NSHDSACASA-N 1 2 248.330 0.900 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000459426540 206126159 /nfs/dbraw/zinc/12/61/59/206126159.db2.gz LZDHRHSASOTIDE-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000459426540 206126162 /nfs/dbraw/zinc/12/61/62/206126162.db2.gz LZDHRHSASOTIDE-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCOC1 ZINC000332871122 182342739 /nfs/dbraw/zinc/34/27/39/182342739.db2.gz WKEGQIVCHSHVDN-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCOC1 ZINC000332871122 182342742 /nfs/dbraw/zinc/34/27/42/182342742.db2.gz WKEGQIVCHSHVDN-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(Nc1cccc(F)c1)[C@@H]1COCC[NH2+]1 ZINC000083872040 182369323 /nfs/dbraw/zinc/36/93/23/182369323.db2.gz CRVURLPRBBCAHT-JTQLQIEISA-N 1 2 224.235 0.753 20 0 BCADLO O=C(Nc1cccc2[nH]cnc21)[C@@H]1COCC[NH2+]1 ZINC000237907716 182372586 /nfs/dbraw/zinc/37/25/86/182372586.db2.gz URLALODOVBLRJI-JTQLQIEISA-N 1 2 246.270 0.490 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000135948915 182391440 /nfs/dbraw/zinc/39/14/40/182391440.db2.gz MWEAYARTNTWJAS-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H](O)C1 ZINC000281147243 182385186 /nfs/dbraw/zinc/38/51/86/182385186.db2.gz ZOBKAKUIGZFTFU-SNVBAGLBSA-N 1 2 246.270 0.933 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCO1 ZINC000109890681 182388034 /nfs/dbraw/zinc/38/80/34/182388034.db2.gz JNDHILMIXXXSID-VIFPVBQESA-N 1 2 208.217 0.905 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000090624476 182603756 /nfs/dbraw/zinc/60/37/56/182603756.db2.gz JACYKSKHCJKNSS-VIFPVBQESA-N 1 2 210.233 0.605 20 0 BCADLO O=c1sccn1CCC[NH+]1CCOCC1 ZINC000269125791 183013405 /nfs/dbraw/zinc/01/34/05/183013405.db2.gz DDKRHSYYRCRFNT-UHFFFAOYSA-N 1 2 228.317 0.632 20 0 BCADLO OC1CN(c2cc[nH+]c3ccncc32)C1 ZINC000267270293 183031138 /nfs/dbraw/zinc/03/11/38/183031138.db2.gz ZMTINAYOLKNIKG-UHFFFAOYSA-N 1 2 201.229 0.811 20 0 BCADLO OC1CN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000265413951 183030978 /nfs/dbraw/zinc/03/09/78/183030978.db2.gz GBMNNYMBUXOERV-UHFFFAOYSA-N 1 2 220.276 0.479 20 0 BCADLO OC1CN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000265413951 183030983 /nfs/dbraw/zinc/03/09/83/183030983.db2.gz GBMNNYMBUXOERV-UHFFFAOYSA-N 1 2 220.276 0.479 20 0 BCADLO O=C1NCCC[C@@H]1N1CCn2cc[nH+]c2C1 ZINC000328667000 183024770 /nfs/dbraw/zinc/02/47/70/183024770.db2.gz KPBRYJXSHFLSKG-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328730703 183024861 /nfs/dbraw/zinc/02/48/61/183024861.db2.gz GEUXLYVUKJMSAC-AEJSXWLSSA-N 1 2 226.276 0.205 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328730703 183024862 /nfs/dbraw/zinc/02/48/62/183024862.db2.gz GEUXLYVUKJMSAC-AEJSXWLSSA-N 1 2 226.276 0.205 20 0 BCADLO OCC1CC[NH+](Cc2ncccn2)CC1 ZINC000054462418 183041433 /nfs/dbraw/zinc/04/14/33/183041433.db2.gz KXZJQZJDUGZCFO-UHFFFAOYSA-N 1 2 207.277 0.681 20 0 BCADLO OCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366658932 183045880 /nfs/dbraw/zinc/04/58/80/183045880.db2.gz HNHJFMHBSFAXCI-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366658932 183045883 /nfs/dbraw/zinc/04/58/83/183045883.db2.gz HNHJFMHBSFAXCI-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO OCC[NH+](CCO)Cc1cnc(Cl)s1 ZINC000086776569 183065579 /nfs/dbraw/zinc/06/55/79/183065579.db2.gz HLJSNTVPAIOMRL-UHFFFAOYSA-N 1 2 236.724 0.583 20 0 BCADLO OCCN(CCn1cc[nH+]c1)CC(F)F ZINC000194860138 183067749 /nfs/dbraw/zinc/06/77/49/183067749.db2.gz HPSADLJDGBVWPE-UHFFFAOYSA-N 1 2 219.235 0.443 20 0 BCADLO OCCN(Cc1c[nH+]c[nH]1)CC(F)F ZINC000193028725 183068158 /nfs/dbraw/zinc/06/81/58/183068158.db2.gz ROXIBZMNBMLSEP-UHFFFAOYSA-N 1 2 205.208 0.469 20 0 BCADLO OCCN(Cc1c[nH]c[nH+]1)CC(F)F ZINC000193028725 183068160 /nfs/dbraw/zinc/06/81/60/183068160.db2.gz ROXIBZMNBMLSEP-UHFFFAOYSA-N 1 2 205.208 0.469 20 0 BCADLO OCC[NH+]1CCN(Cc2nccs2)CC1 ZINC000087396274 183075036 /nfs/dbraw/zinc/07/50/36/183075036.db2.gz GNMIHUOMAKZUND-UHFFFAOYSA-N 1 2 227.333 0.253 20 0 BCADLO OCC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366602316 183076327 /nfs/dbraw/zinc/07/63/27/183076327.db2.gz MWFQXFVDZFWMAM-UHFFFAOYSA-N 1 2 244.298 0.618 20 0 BCADLO OCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366602316 183076328 /nfs/dbraw/zinc/07/63/28/183076328.db2.gz MWFQXFVDZFWMAM-UHFFFAOYSA-N 1 2 244.298 0.618 20 0 BCADLO OCCOCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353283762 183085209 /nfs/dbraw/zinc/08/52/09/183085209.db2.gz RNZWWEDQQIIDPA-VIFPVBQESA-N 1 2 239.262 0.351 20 0 BCADLO OCCOCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353283762 183085214 /nfs/dbraw/zinc/08/52/14/183085214.db2.gz RNZWWEDQQIIDPA-VIFPVBQESA-N 1 2 239.262 0.351 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000278209415 183088470 /nfs/dbraw/zinc/08/84/70/183088470.db2.gz REVJBTMSBQDBHL-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000278209415 183088471 /nfs/dbraw/zinc/08/84/71/183088471.db2.gz REVJBTMSBQDBHL-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@H]2CCO)[nH]1 ZINC000336672855 183095501 /nfs/dbraw/zinc/09/55/01/183095501.db2.gz JHQVGXFHNAUBLK-JGVFFNPUSA-N 1 2 226.280 0.151 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000331293505 183118898 /nfs/dbraw/zinc/11/88/98/183118898.db2.gz LSADLFMJPSIVHI-SNVBAGLBSA-N 1 2 242.298 0.452 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000331293505 183118900 /nfs/dbraw/zinc/11/89/00/183118900.db2.gz LSADLFMJPSIVHI-SNVBAGLBSA-N 1 2 242.298 0.452 20 0 BCADLO OC[C@@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000133473848 183110801 /nfs/dbraw/zinc/11/08/01/183110801.db2.gz XOYFPPIAKVKGAE-VIFPVBQESA-N 1 2 238.291 0.064 20 0 BCADLO OC[C@@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000133473848 183110804 /nfs/dbraw/zinc/11/08/04/183110804.db2.gz XOYFPPIAKVKGAE-VIFPVBQESA-N 1 2 238.291 0.064 20 0 BCADLO OC[C@H]([NH2+]Cc1ccn[nH]1)C1CCOCC1 ZINC000309603071 183140940 /nfs/dbraw/zinc/14/09/40/183140940.db2.gz XDNJKHQTVHTEQH-NSHDSACASA-N 1 2 225.292 0.287 20 0 BCADLO OC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000336662855 183141460 /nfs/dbraw/zinc/14/14/60/183141460.db2.gz CIQWNFAIXFCIAE-VHSXEESVSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486189 183144173 /nfs/dbraw/zinc/14/41/73/183144173.db2.gz ZPKLXDMTGXVISZ-SSDOTTSWSA-N 1 2 236.193 0.866 20 0 BCADLO OC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000332056405 183128034 /nfs/dbraw/zinc/12/80/34/183128034.db2.gz ZLIWGQSULWVKHL-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000088094112 183128402 /nfs/dbraw/zinc/12/84/02/183128402.db2.gz OTRRPXDSWCCJSA-VIFPVBQESA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000088094112 183128403 /nfs/dbraw/zinc/12/84/03/183128403.db2.gz OTRRPXDSWCCJSA-VIFPVBQESA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cccc1F ZINC000274218161 183130149 /nfs/dbraw/zinc/13/01/49/183130149.db2.gz YGBCAXSTOMJFJC-IUCAKERBSA-N 1 2 243.253 0.892 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cccc1F ZINC000274218161 183130152 /nfs/dbraw/zinc/13/01/52/183130152.db2.gz YGBCAXSTOMJFJC-IUCAKERBSA-N 1 2 243.253 0.892 20 0 BCADLO OC[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258648800 183153610 /nfs/dbraw/zinc/15/36/10/183153610.db2.gz GGAKYINMQWIDKM-NSHDSACASA-N 1 2 248.330 0.895 20 0 BCADLO OC[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258648800 183153613 /nfs/dbraw/zinc/15/36/13/183153613.db2.gz GGAKYINMQWIDKM-NSHDSACASA-N 1 2 248.330 0.895 20 0 BCADLO OC[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000094268117 183155710 /nfs/dbraw/zinc/15/57/10/183155710.db2.gz LEBRERJBZWEJCY-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCOCC(F)F)C1 ZINC000338622417 183157905 /nfs/dbraw/zinc/15/79/05/183157905.db2.gz CLIKCIIMOAHBAG-VIFPVBQESA-N 1 2 227.226 0.674 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCOCC(F)F)C1 ZINC000338622417 183157907 /nfs/dbraw/zinc/15/79/07/183157907.db2.gz CLIKCIIMOAHBAG-VIFPVBQESA-N 1 2 227.226 0.674 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2ccncc2)C1 ZINC000335057849 183159531 /nfs/dbraw/zinc/15/95/31/183159531.db2.gz NZURGBGMLFLLKQ-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2ccncc2)C1 ZINC000335057849 183159533 /nfs/dbraw/zinc/15/95/33/183159533.db2.gz NZURGBGMLFLLKQ-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO O[C@@H](C[NH+]1CCOCC1)CC(F)(F)F ZINC000082719715 183177328 /nfs/dbraw/zinc/17/73/28/183177328.db2.gz QXXAMMPFFHABSD-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000265147229 183200869 /nfs/dbraw/zinc/20/08/69/183200869.db2.gz NJRRTIKPVUWNRR-CYBMUJFWSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000265147229 183200870 /nfs/dbraw/zinc/20/08/70/183200870.db2.gz NJRRTIKPVUWNRR-CYBMUJFWSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1C[NH+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000236530550 183205712 /nfs/dbraw/zinc/20/57/12/183205712.db2.gz GYCMWYSIPAYNCY-RNFRBKRXSA-N 1 2 234.708 0.334 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353166908 183222312 /nfs/dbraw/zinc/22/23/12/183222312.db2.gz DUYBDRLMQIZAHP-ZJUUUORDSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@H]1C(F)F ZINC000353166908 183222314 /nfs/dbraw/zinc/22/23/14/183222314.db2.gz DUYBDRLMQIZAHP-ZJUUUORDSA-N 1 2 245.273 0.974 20 0 BCADLO CCCN(C)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000119369081 169084459 /nfs/dbraw/zinc/08/44/59/169084459.db2.gz VVIXOCRIKCXDFT-UHFFFAOYSA-N 1 2 246.336 0.059 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCc2ncsc2C1 ZINC000361388194 183211015 /nfs/dbraw/zinc/21/10/15/183211015.db2.gz CZLRSVFBLSZIGV-DTWKUNHWSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@H+]1CCc2ncsc2C1 ZINC000361388194 183211018 /nfs/dbraw/zinc/21/10/18/183211018.db2.gz CZLRSVFBLSZIGV-DTWKUNHWSA-N 1 2 226.301 0.261 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccnn1C ZINC000092381842 169094061 /nfs/dbraw/zinc/09/40/61/169094061.db2.gz ASDWEQYBXJKFAH-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccnn1C ZINC000092381842 169094062 /nfs/dbraw/zinc/09/40/62/169094062.db2.gz ASDWEQYBXJKFAH-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1n[nH]cc1C ZINC000290447267 169094258 /nfs/dbraw/zinc/09/42/58/169094258.db2.gz OFZBINHQHOHFGF-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1n[nH]cc1C ZINC000290447267 169094262 /nfs/dbraw/zinc/09/42/62/169094262.db2.gz OFZBINHQHOHFGF-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1c(C)cnn1C ZINC000288955797 169095398 /nfs/dbraw/zinc/09/53/98/169095398.db2.gz ANTGNBUDAPGOES-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1c(C)cnn1C ZINC000288955797 169095400 /nfs/dbraw/zinc/09/54/00/169095400.db2.gz ANTGNBUDAPGOES-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCC[N@H+](CC(=O)NC)[C@@H](C)C(=O)OCC ZINC000043638801 169096097 /nfs/dbraw/zinc/09/60/97/169096097.db2.gz XFRKMDCLTUUAJE-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)OCC ZINC000043638801 169096099 /nfs/dbraw/zinc/09/60/99/169096099.db2.gz XFRKMDCLTUUAJE-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCC[N@H+](CC(=O)NC1CC1)CC(=O)N(C)C ZINC000056511034 169096227 /nfs/dbraw/zinc/09/62/27/169096227.db2.gz PDBRYDWHTKHVHP-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[N@@H+](CC(=O)NC1CC1)CC(=O)N(C)C ZINC000056511034 169096229 /nfs/dbraw/zinc/09/62/29/169096229.db2.gz PDBRYDWHTKHVHP-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000332199694 183238916 /nfs/dbraw/zinc/23/89/16/183238916.db2.gz ZSOUZCWTTQFUIU-ZDUSSCGKSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000332199694 183238919 /nfs/dbraw/zinc/23/89/19/183238919.db2.gz ZSOUZCWTTQFUIU-ZDUSSCGKSA-N 1 2 244.298 0.834 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000337492361 169110472 /nfs/dbraw/zinc/11/04/72/169110472.db2.gz GBJJWUVCWDCFKX-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000337492361 169110473 /nfs/dbraw/zinc/11/04/73/169110473.db2.gz GBJJWUVCWDCFKX-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000361911229 183240091 /nfs/dbraw/zinc/24/00/91/183240091.db2.gz QSQANSCMGKYCIR-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000361911229 183240093 /nfs/dbraw/zinc/24/00/93/183240093.db2.gz QSQANSCMGKYCIR-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1O ZINC000278439688 183243428 /nfs/dbraw/zinc/24/34/28/183243428.db2.gz VSTLEGCUXFMEPU-AOOOYVTPSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1O ZINC000278439688 183243431 /nfs/dbraw/zinc/24/34/31/183243431.db2.gz VSTLEGCUXFMEPU-AOOOYVTPSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000236593138 183243580 /nfs/dbraw/zinc/24/35/80/183243580.db2.gz RETPHOQNUACJMH-QWRGUYRKSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1O ZINC000236607011 183243720 /nfs/dbraw/zinc/24/37/20/183243720.db2.gz BTMBCNDMLGYYFA-YUMQZZPRSA-N 1 2 248.204 0.642 20 0 BCADLO O[C@H]1C[NH+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1O ZINC000278439692 183243993 /nfs/dbraw/zinc/24/39/93/183243993.db2.gz VSTLEGCUXFMEPU-UWVGGRQHSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@H]1C[NH+](Cc2csc(C3CC3)n2)C[C@@H]1O ZINC000278908987 183244145 /nfs/dbraw/zinc/24/41/45/183244145.db2.gz VUUMUJFCHVYZKG-UWVGGRQHSA-N 1 2 240.328 0.558 20 0 BCADLO CCCN(CC(=O)OC)Cc1[nH+]ccn1C ZINC000050065869 169102163 /nfs/dbraw/zinc/10/21/63/169102163.db2.gz HDXITOWMTKEUBW-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCC[N@H+](CCn1cncn1)CC(=O)OCC ZINC000264088187 169171867 /nfs/dbraw/zinc/17/18/67/169171867.db2.gz NFTPBJLPWFYFRF-UHFFFAOYSA-N 1 2 240.307 0.553 20 0 BCADLO CCC[N@@H+](CCn1cncn1)CC(=O)OCC ZINC000264088187 169171868 /nfs/dbraw/zinc/17/18/68/169171868.db2.gz NFTPBJLPWFYFRF-UHFFFAOYSA-N 1 2 240.307 0.553 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)[nH]1 ZINC000341969177 183306078 /nfs/dbraw/zinc/30/60/78/183306078.db2.gz BJMBNMGKYDSZHD-LLVKDONJSA-N 1 2 238.291 0.513 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@]3(C2)CCCOC3)[nH]1 ZINC000341969177 183306081 /nfs/dbraw/zinc/30/60/81/183306081.db2.gz BJMBNMGKYDSZHD-LLVKDONJSA-N 1 2 238.291 0.513 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)[nH]1 ZINC000328871889 183306426 /nfs/dbraw/zinc/30/64/26/183306426.db2.gz DQMJOQIURHFUTD-BDAKNGLRSA-N 1 2 238.291 0.654 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)[nH]1 ZINC000328871889 183306428 /nfs/dbraw/zinc/30/64/28/183306428.db2.gz DQMJOQIURHFUTD-BDAKNGLRSA-N 1 2 238.291 0.654 20 0 BCADLO CCC[N@H+](CCO)[C@@H](COC)C(=O)OCC ZINC000361926143 169167128 /nfs/dbraw/zinc/16/71/28/169167128.db2.gz MECWTRDGGSAMRQ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCC[N@@H+](CCO)[C@@H](COC)C(=O)OCC ZINC000361926143 169167129 /nfs/dbraw/zinc/16/71/29/169167129.db2.gz MECWTRDGGSAMRQ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO c1c[nH+]c(CN2CCN(Cc3cc[nH]n3)CC2)[nH]1 ZINC000353920776 183325066 /nfs/dbraw/zinc/32/50/66/183325066.db2.gz AKKSJBJUGMKKAZ-UHFFFAOYSA-N 1 2 246.318 0.451 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375327366 169222940 /nfs/dbraw/zinc/22/29/40/169222940.db2.gz ITFLQZAQUBKXGO-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375327366 169222941 /nfs/dbraw/zinc/22/29/41/169222941.db2.gz ITFLQZAQUBKXGO-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)n[nH]1 ZINC000187548319 183345555 /nfs/dbraw/zinc/34/55/55/183345555.db2.gz ULBYBYMLXDTCNA-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)n[nH]1 ZINC000187548319 183345556 /nfs/dbraw/zinc/34/55/56/183345556.db2.gz ULBYBYMLXDTCNA-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000338379022 183348138 /nfs/dbraw/zinc/34/81/38/183348138.db2.gz MAZREUDVKWNAFS-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000338379022 183348141 /nfs/dbraw/zinc/34/81/41/183348141.db2.gz MAZREUDVKWNAFS-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO c1cc(C[NH2+]CC2(N3CCOCC3)CC2)[nH]n1 ZINC000277451304 183350073 /nfs/dbraw/zinc/35/00/73/183350073.db2.gz GLOXQQZXSJJWMX-UHFFFAOYSA-N 1 2 236.319 0.364 20 0 BCADLO c1c[nH+]c(CNc2cccc(-n3cnnn3)c2)[nH]1 ZINC000049714984 183358633 /nfs/dbraw/zinc/35/86/33/183358633.db2.gz WNFSRVWTGBVPIS-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853883 169222101 /nfs/dbraw/zinc/22/21/01/169222101.db2.gz ITBASLKELURMHV-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CCCNC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853883 169222104 /nfs/dbraw/zinc/22/21/04/169222104.db2.gz ITBASLKELURMHV-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363187880 169222420 /nfs/dbraw/zinc/22/24/20/169222420.db2.gz FNCPKPXQFYUAGO-GHMZBOCLSA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363187880 169222422 /nfs/dbraw/zinc/22/24/22/169222422.db2.gz FNCPKPXQFYUAGO-GHMZBOCLSA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000365847587 169222546 /nfs/dbraw/zinc/22/25/46/169222546.db2.gz NFCVAFPEKWODIF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000365847587 169222548 /nfs/dbraw/zinc/22/25/48/169222548.db2.gz NFCVAFPEKWODIF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853031 169241229 /nfs/dbraw/zinc/24/12/29/169241229.db2.gz GYXRFQPJDCNWNN-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000118853031 169241230 /nfs/dbraw/zinc/24/12/30/169241230.db2.gz GYXRFQPJDCNWNN-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622169 169242003 /nfs/dbraw/zinc/24/20/03/169242003.db2.gz LGLFVGXXWZXNAE-GRYCIOLGSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622169 169242004 /nfs/dbraw/zinc/24/20/04/169242004.db2.gz LGLFVGXXWZXNAE-GRYCIOLGSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000371338601 169244416 /nfs/dbraw/zinc/24/44/16/169244416.db2.gz FLZLONHMQROYFA-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000371338601 169244418 /nfs/dbraw/zinc/24/44/18/169244418.db2.gz FLZLONHMQROYFA-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342184216 169245840 /nfs/dbraw/zinc/24/58/40/169245840.db2.gz QZVFWVPWRAEEMK-GARJFASQSA-N 1 2 226.320 0.764 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342184216 169245841 /nfs/dbraw/zinc/24/58/41/169245841.db2.gz QZVFWVPWRAEEMK-GARJFASQSA-N 1 2 226.320 0.764 20 0 BCADLO CCCOCC(=O)NCc1[nH+]ccn1C ZINC000221015118 169305866 /nfs/dbraw/zinc/30/58/66/169305866.db2.gz BICCJEVZDORJHL-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCC[C@@H](C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365760065 169352486 /nfs/dbraw/zinc/35/24/86/169352486.db2.gz XEJJXEFAFZYBFK-KXUCPTDWSA-N 1 2 242.319 0.442 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000279911068 169405713 /nfs/dbraw/zinc/40/57/13/169405713.db2.gz NDMGKYYHPUSSKA-LLVKDONJSA-N 1 2 239.319 0.630 20 0 BCADLO COC(=O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182236275 134343619 /nfs/dbraw/zinc/34/36/19/134343619.db2.gz BVHWIQHRPSOXIO-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO COC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492866938 532977019 /nfs/dbraw/zinc/97/70/19/532977019.db2.gz QVZDGBJAVNTPQQ-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291069472 383825928 /nfs/dbraw/zinc/82/59/28/383825928.db2.gz QNKSFDITZMOQHD-BDAKNGLRSA-N 1 2 240.307 0.236 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000112344434 383919942 /nfs/dbraw/zinc/91/99/42/383919942.db2.gz OEARFRIKRUFRKN-NXEZZACHSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(C)n1)C(=O)NC(C)(C)C ZINC000112344102 383920687 /nfs/dbraw/zinc/92/06/87/383920687.db2.gz NRZSINKTGHSXAI-SECBINFHSA-N 1 2 238.335 0.813 20 0 BCADLO CC(C)[C@@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000088446010 383902020 /nfs/dbraw/zinc/90/20/20/383902020.db2.gz DBLJTFSVUCYWCA-SNVBAGLBSA-N 1 2 232.287 0.907 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nonc1C ZINC000070269534 383902925 /nfs/dbraw/zinc/90/29/25/383902925.db2.gz ZYTVLAOGGRCYMN-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nonc1C ZINC000070269534 383902930 /nfs/dbraw/zinc/90/29/30/383902930.db2.gz ZYTVLAOGGRCYMN-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO CCN(C)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000332448777 383981233 /nfs/dbraw/zinc/98/12/33/383981233.db2.gz GFRWLPAYGXWREK-UHFFFAOYSA-N 1 2 215.297 0.710 20 0 BCADLO CCN(C)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000332448777 383981241 /nfs/dbraw/zinc/98/12/41/383981241.db2.gz GFRWLPAYGXWREK-UHFFFAOYSA-N 1 2 215.297 0.710 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000558352191 383940716 /nfs/dbraw/zinc/94/07/16/383940716.db2.gz KXWQETMWLJFZFF-ZETCQYMHSA-N 1 2 246.274 0.597 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C(F)(F)F ZINC000112825678 383953978 /nfs/dbraw/zinc/95/39/78/383953978.db2.gz ZKFJGJHQJLSDQB-UHFFFAOYSA-N 1 2 221.182 0.941 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000518562284 384019557 /nfs/dbraw/zinc/01/95/57/384019557.db2.gz DTPQUSUGQBNWOS-UISBYWKRSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000518562284 384019564 /nfs/dbraw/zinc/01/95/64/384019564.db2.gz DTPQUSUGQBNWOS-UISBYWKRSA-N 1 2 237.303 0.618 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1nccn1C ZINC000186807710 384019993 /nfs/dbraw/zinc/01/99/93/384019993.db2.gz MOPFZJGZLVQWNX-SECBINFHSA-N 1 2 224.308 0.549 20 0 BCADLO CO[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234795217 384026248 /nfs/dbraw/zinc/02/62/48/384026248.db2.gz SPRBOKCGJDHUHK-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO CO[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234795217 384026250 /nfs/dbraw/zinc/02/62/50/384026250.db2.gz SPRBOKCGJDHUHK-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO COCc1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000090254163 384039194 /nfs/dbraw/zinc/03/91/94/384039194.db2.gz ZROSNEXARKSNOX-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000408082436 134389485 /nfs/dbraw/zinc/38/94/85/134389485.db2.gz GRHQJSRJLVGDQM-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000078605161 384074722 /nfs/dbraw/zinc/07/47/22/384074722.db2.gz KDCMSOQKPINWPZ-NEPJUHHUSA-N 1 2 241.379 0.927 20 0 BCADLO C[C@@H](CC(=O)N(C)CCO)n1cc[nH+]c1 ZINC000569464008 384076959 /nfs/dbraw/zinc/07/69/59/384076959.db2.gz TUWWJZLJBNBORG-VIFPVBQESA-N 1 2 211.265 0.285 20 0 BCADLO COC(=O)C1CC[NH+](Cc2nonc2C)CC1 ZINC000070269491 384096909 /nfs/dbraw/zinc/09/69/09/384096909.db2.gz NETSWPAYAHWTQY-UHFFFAOYSA-N 1 2 239.275 0.763 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000332656056 384097463 /nfs/dbraw/zinc/09/74/63/384097463.db2.gz NNEYHRPHFASKLW-JTQLQIEISA-N 1 2 210.281 0.460 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000332656056 384097464 /nfs/dbraw/zinc/09/74/64/384097464.db2.gz NNEYHRPHFASKLW-JTQLQIEISA-N 1 2 210.281 0.460 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nc(C)no1 ZINC000050053813 384105313 /nfs/dbraw/zinc/10/53/13/384105313.db2.gz AUASZGTZMJXTTC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nc(C)no1 ZINC000050053813 384105318 /nfs/dbraw/zinc/10/53/18/384105318.db2.gz AUASZGTZMJXTTC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CCc1cnc(C[NH+]2C[C@@H](O)[C@H](O)C2)s1 ZINC000332662810 384106901 /nfs/dbraw/zinc/10/69/01/384106901.db2.gz OZBKKXULVPRRCS-RKDXNWHRSA-N 1 2 228.317 0.243 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CC[C@@](C)(O)C2)nn1 ZINC000332675262 384109020 /nfs/dbraw/zinc/10/90/20/384109020.db2.gz RQHCUVVPFLOYJF-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2CC[C@@](C)(O)C2)nn1 ZINC000332675262 384109023 /nfs/dbraw/zinc/10/90/23/384109023.db2.gz RQHCUVVPFLOYJF-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CC[C@](C)(O)C2)nn1 ZINC000332675269 384109319 /nfs/dbraw/zinc/10/93/19/384109319.db2.gz RQHCUVVPFLOYJF-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2CC[C@](C)(O)C2)nn1 ZINC000332675269 384109323 /nfs/dbraw/zinc/10/93/23/384109323.db2.gz RQHCUVVPFLOYJF-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104327 384109325 /nfs/dbraw/zinc/10/93/25/384109325.db2.gz KSVGZSYPADJKGY-SECBINFHSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104327 384109330 /nfs/dbraw/zinc/10/93/30/384109330.db2.gz KSVGZSYPADJKGY-SECBINFHSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1cc(CC(=O)N2CC(n3cc[nH+]c3)C2)on1 ZINC000569491206 384109757 /nfs/dbraw/zinc/10/97/57/384109757.db2.gz PGZOPPONXCJXES-UHFFFAOYSA-N 1 2 246.270 0.806 20 0 BCADLO COC(=O)[C@@](C)(NCc1c[nH+]cn1C)C1CC1 ZINC000560402873 384117095 /nfs/dbraw/zinc/11/70/95/384117095.db2.gz WOEUZTGMXNHMNH-LBPRGKRZSA-N 1 2 237.303 0.851 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)NC(C)=O)c1[nH]cc[nH+]1 ZINC000140597661 384150506 /nfs/dbraw/zinc/15/05/06/384150506.db2.gz CKLNWOSDHBIFTA-CBAPKCEASA-N 1 2 238.291 0.502 20 0 BCADLO Cn1cc[nH+]c1CN1CCCC[C@@H]1C(N)=O ZINC000071089332 384151146 /nfs/dbraw/zinc/15/11/46/384151146.db2.gz SGCBMUJRHXCGBW-SECBINFHSA-N 1 2 222.292 0.260 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCc2cncnc2C1 ZINC000357661858 384152419 /nfs/dbraw/zinc/15/24/19/384152419.db2.gz GIGGKJRRJHPIOQ-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCc2cncnc2C1 ZINC000357661858 384152429 /nfs/dbraw/zinc/15/24/29/384152429.db2.gz GIGGKJRRJHPIOQ-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000091950638 384157458 /nfs/dbraw/zinc/15/74/58/384157458.db2.gz RZMRQCCZTAZLAU-UHFFFAOYSA-N 1 2 210.281 0.497 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000091950638 384157459 /nfs/dbraw/zinc/15/74/59/384157459.db2.gz RZMRQCCZTAZLAU-UHFFFAOYSA-N 1 2 210.281 0.497 20 0 BCADLO COC(=O)[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000092013493 384160357 /nfs/dbraw/zinc/16/03/57/384160357.db2.gz MPNRFYYQBKFBPF-PSASIEDQSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000092013493 384160360 /nfs/dbraw/zinc/16/03/60/384160360.db2.gz MPNRFYYQBKFBPF-PSASIEDQSA-N 1 2 239.275 0.172 20 0 BCADLO O=C1C[N@H+](CCn2cncn2)[C@@H]2CCCC[C@H]2N1 ZINC000268297554 384167451 /nfs/dbraw/zinc/16/74/51/384167451.db2.gz UBWKWTZCDLTIBP-GHMZBOCLSA-N 1 2 249.318 0.021 20 0 BCADLO O=C1C[N@@H+](CCn2cncn2)[C@@H]2CCCC[C@H]2N1 ZINC000268297554 384167456 /nfs/dbraw/zinc/16/74/56/384167456.db2.gz UBWKWTZCDLTIBP-GHMZBOCLSA-N 1 2 249.318 0.021 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093049565 384208146 /nfs/dbraw/zinc/20/81/46/384208146.db2.gz MNUSNDFVVYJDNF-JTQLQIEISA-N 1 2 208.261 0.990 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093049565 384208150 /nfs/dbraw/zinc/20/81/50/384208150.db2.gz MNUSNDFVVYJDNF-JTQLQIEISA-N 1 2 208.261 0.990 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093055537 384207703 /nfs/dbraw/zinc/20/77/03/384207703.db2.gz BTMLFQDBDCCCDA-GFCCVEGCSA-N 1 2 235.331 0.982 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093055537 384207708 /nfs/dbraw/zinc/20/77/08/384207708.db2.gz BTMLFQDBDCCCDA-GFCCVEGCSA-N 1 2 235.331 0.982 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647160415 384196317 /nfs/dbraw/zinc/19/63/17/384196317.db2.gz QAIMATYBYLXHGD-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000304186547 384231704 /nfs/dbraw/zinc/23/17/04/384231704.db2.gz SBTZVZKXCROOJJ-SECBINFHSA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cccnc1C[N@H+]1CC[C@@H](O)C1 ZINC000304186547 384231707 /nfs/dbraw/zinc/23/17/07/384231707.db2.gz SBTZVZKXCROOJJ-SECBINFHSA-N 1 2 236.271 0.435 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000367864147 384234549 /nfs/dbraw/zinc/23/45/49/384234549.db2.gz IYPZQVZCFROBFE-GFCCVEGCSA-N 1 2 246.326 0.651 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000367864147 384234556 /nfs/dbraw/zinc/23/45/56/384234556.db2.gz IYPZQVZCFROBFE-GFCCVEGCSA-N 1 2 246.326 0.651 20 0 BCADLO Cc1cnccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000082523264 384234579 /nfs/dbraw/zinc/23/45/79/384234579.db2.gz ZRTZRRFPRCMXJY-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@H]1CCOC1=O ZINC000132562195 384236678 /nfs/dbraw/zinc/23/66/78/384236678.db2.gz UWHWLAZHMNTXMK-JTQLQIEISA-N 1 2 206.245 0.829 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@H]1CCOC1=O ZINC000132562195 384236686 /nfs/dbraw/zinc/23/66/86/384236686.db2.gz UWHWLAZHMNTXMK-JTQLQIEISA-N 1 2 206.245 0.829 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccsc1 ZINC000093441571 384239668 /nfs/dbraw/zinc/23/96/68/384239668.db2.gz PYTKEDVWDHMHGL-UWVGGRQHSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccsc1 ZINC000093441571 384239677 /nfs/dbraw/zinc/23/96/77/384239677.db2.gz PYTKEDVWDHMHGL-UWVGGRQHSA-N 1 2 241.312 0.856 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)NCC ZINC000187320947 384212494 /nfs/dbraw/zinc/21/24/94/384212494.db2.gz GHBBFIKKLCZCCT-GFCCVEGCSA-N 1 2 241.335 0.113 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)NCC ZINC000187320947 384212498 /nfs/dbraw/zinc/21/24/98/384212498.db2.gz GHBBFIKKLCZCCT-GFCCVEGCSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854414 384213482 /nfs/dbraw/zinc/21/34/82/384213482.db2.gz RRAFDVKEMRSVFP-UHFFFAOYSA-N 1 2 236.319 0.684 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000118854414 384213489 /nfs/dbraw/zinc/21/34/89/384213489.db2.gz RRAFDVKEMRSVFP-UHFFFAOYSA-N 1 2 236.319 0.684 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)NC1CC1 ZINC000118852849 384215718 /nfs/dbraw/zinc/21/57/18/384215718.db2.gz SJXSSMDTGOOFBS-UHFFFAOYSA-N 1 2 220.276 0.046 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)NC1CC1 ZINC000118852849 384215723 /nfs/dbraw/zinc/21/57/23/384215723.db2.gz SJXSSMDTGOOFBS-UHFFFAOYSA-N 1 2 220.276 0.046 20 0 BCADLO CC(C)[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000292716178 384276967 /nfs/dbraw/zinc/27/69/67/384276967.db2.gz ONTXEOLJMWWLPI-VIFPVBQESA-N 1 2 211.265 0.053 20 0 BCADLO COC[C@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000093529633 384248644 /nfs/dbraw/zinc/24/86/44/384248644.db2.gz GSENKTXNJIZYFS-LLVKDONJSA-N 1 2 225.292 0.565 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000093529633 384248648 /nfs/dbraw/zinc/24/86/48/384248648.db2.gz GSENKTXNJIZYFS-LLVKDONJSA-N 1 2 225.292 0.565 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000093529198 384248793 /nfs/dbraw/zinc/24/87/93/384248793.db2.gz IDIQHDJIKUXMEW-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000093529198 384248794 /nfs/dbraw/zinc/24/87/94/384248794.db2.gz IDIQHDJIKUXMEW-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO C[C@@H]1[C@H](C)N(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000093559779 384251028 /nfs/dbraw/zinc/25/10/28/384251028.db2.gz WWIODXITPOWQBH-DTWKUNHWSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1[C@H](C)N(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000093559779 384251033 /nfs/dbraw/zinc/25/10/33/384251033.db2.gz WWIODXITPOWQBH-DTWKUNHWSA-N 1 2 243.332 0.417 20 0 BCADLO Cc1cncc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000074893306 384308853 /nfs/dbraw/zinc/30/88/53/384308853.db2.gz CBNRYZDFGCUINS-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H](O)C2(C)C)nc(N)[nH+]1 ZINC000304444148 384311981 /nfs/dbraw/zinc/31/19/81/384311981.db2.gz IMPUHMXPOHKPQE-RNFRBKRXSA-N 1 2 223.280 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@@H](O)C2(C)C)[nH+]1 ZINC000304444148 384311984 /nfs/dbraw/zinc/31/19/84/384311984.db2.gz IMPUHMXPOHKPQE-RNFRBKRXSA-N 1 2 223.280 0.334 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000289530746 384279374 /nfs/dbraw/zinc/27/93/74/384279374.db2.gz BTLATDKHWITQHO-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000289530746 384279381 /nfs/dbraw/zinc/27/93/81/384279381.db2.gz BTLATDKHWITQHO-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CCONC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000083116631 384281868 /nfs/dbraw/zinc/28/18/68/384281868.db2.gz OJDMNIOUNHLHRP-JTQLQIEISA-N 1 2 208.261 0.797 20 0 BCADLO CCONC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000083116632 384282476 /nfs/dbraw/zinc/28/24/76/384282476.db2.gz OJDMNIOUNHLHRP-SNVBAGLBSA-N 1 2 208.261 0.797 20 0 BCADLO CC(C)(C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313360487 384289882 /nfs/dbraw/zinc/28/98/82/384289882.db2.gz SARKZDMFHAVIJL-JTQLQIEISA-N 1 2 228.336 0.999 20 0 BCADLO CC(C)(C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313360488 384290272 /nfs/dbraw/zinc/29/02/72/384290272.db2.gz SARKZDMFHAVIJL-SNVBAGLBSA-N 1 2 228.336 0.999 20 0 BCADLO Cc1nc(NCCOCC2CC2)nc(N)[nH+]1 ZINC000304500458 384335329 /nfs/dbraw/zinc/33/53/29/384335329.db2.gz QDLYNKVGBCFLRS-UHFFFAOYSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NCCOCC2CC2)[nH+]1 ZINC000304500458 384335340 /nfs/dbraw/zinc/33/53/40/384335340.db2.gz QDLYNKVGBCFLRS-UHFFFAOYSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@H](OCCO)C2)o1 ZINC000075745335 384336354 /nfs/dbraw/zinc/33/63/54/384336354.db2.gz YAJZLVLGHXXSDR-LLVKDONJSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@H](OCCO)C2)o1 ZINC000075745335 384336360 /nfs/dbraw/zinc/33/63/60/384336360.db2.gz YAJZLVLGHXXSDR-LLVKDONJSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1cnc(NC(=O)[C@H]2COCC[NH2+]2)s1 ZINC000083872050 384338272 /nfs/dbraw/zinc/33/82/72/384338272.db2.gz OGMKQYKJDVQALG-SSDOTTSWSA-N 1 2 227.289 0.378 20 0 BCADLO CC(C)n1ncnc1C[NH+]1CCC(O)CC1 ZINC000083995440 384355306 /nfs/dbraw/zinc/35/53/06/384355306.db2.gz YLAGXMYWVPWUNN-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CCn1ncnc1C[N@H+](CCO)C1CC1 ZINC000083995452 384356064 /nfs/dbraw/zinc/35/60/64/384356064.db2.gz BVYUFQNGEUKLQS-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@@H+](CCO)C1CC1 ZINC000083995452 384356069 /nfs/dbraw/zinc/35/60/69/384356069.db2.gz BVYUFQNGEUKLQS-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000134547393 384364263 /nfs/dbraw/zinc/36/42/63/384364263.db2.gz PESKJNGDZKICTF-QMMMGPOBSA-N 1 2 235.291 0.936 20 0 BCADLO CCCn1cc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000179658599 384326065 /nfs/dbraw/zinc/32/60/65/384326065.db2.gz NIWUZMQYTYGMDG-UHFFFAOYSA-N 1 2 238.335 0.989 20 0 BCADLO CCCn1cc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000179658599 384326068 /nfs/dbraw/zinc/32/60/68/384326068.db2.gz NIWUZMQYTYGMDG-UHFFFAOYSA-N 1 2 238.335 0.989 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000304483738 384328509 /nfs/dbraw/zinc/32/85/09/384328509.db2.gz ORSMKWJIIGLXOJ-HTQZYQBOSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC[C@@H](O)C2)[nH+]1 ZINC000304483738 384328513 /nfs/dbraw/zinc/32/85/13/384328513.db2.gz ORSMKWJIIGLXOJ-HTQZYQBOSA-N 1 2 223.280 0.335 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCNC(=O)C(C)C ZINC000179674784 384328760 /nfs/dbraw/zinc/32/87/60/384328760.db2.gz IMZUEQKEUPZYEO-SNVBAGLBSA-N 1 2 244.335 0.642 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCNC(=O)C(C)C ZINC000179674784 384328763 /nfs/dbraw/zinc/32/87/63/384328763.db2.gz IMZUEQKEUPZYEO-SNVBAGLBSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1cnc(C[N@@H+](CC(N)=O)CC(C)C)o1 ZINC000075624209 384332905 /nfs/dbraw/zinc/33/29/05/384332905.db2.gz ZFOCALVBNVBPND-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1cnc(C[N@H+](CC(N)=O)CC(C)C)o1 ZINC000075624209 384332909 /nfs/dbraw/zinc/33/29/09/384332909.db2.gz ZFOCALVBNVBPND-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO CC(C)c1noc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000625712523 384391762 /nfs/dbraw/zinc/39/17/62/384391762.db2.gz XNZINRNIZGIHLV-VGMNWLOBSA-N 1 2 241.291 0.291 20 0 BCADLO CC(C)n1cncc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000331592427 384393529 /nfs/dbraw/zinc/39/35/29/384393529.db2.gz GRYYNHUNLCGPNR-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1cncc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000331592427 384393534 /nfs/dbraw/zinc/39/35/34/384393534.db2.gz GRYYNHUNLCGPNR-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712070 384393580 /nfs/dbraw/zinc/39/35/80/384393580.db2.gz CMLVJSMCJHLZPV-XVYDVKMFSA-N 1 2 239.275 0.045 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000175091030 384395967 /nfs/dbraw/zinc/39/59/67/384395967.db2.gz BQYMZRRIRVQQLO-MRVPVSSYSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000175091030 384395973 /nfs/dbraw/zinc/39/59/73/384395973.db2.gz BQYMZRRIRVQQLO-MRVPVSSYSA-N 1 2 241.291 0.734 20 0 BCADLO Cc1nc(N[C@H]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000304555339 384399167 /nfs/dbraw/zinc/39/91/67/384399167.db2.gz XZAGIKUQGFYJPB-SVRRBLITSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCO[C@H](C)C2)[nH+]1 ZINC000304555339 384399170 /nfs/dbraw/zinc/39/91/70/384399170.db2.gz XZAGIKUQGFYJPB-SVRRBLITSA-N 1 2 223.280 0.742 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nccc(N)n1 ZINC000135012191 384407500 /nfs/dbraw/zinc/40/75/00/384407500.db2.gz XPKZMEXWBCKMKJ-UHFFFAOYSA-N 1 2 238.291 0.444 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nccc(N)n1 ZINC000135012191 384407508 /nfs/dbraw/zinc/40/75/08/384407508.db2.gz XPKZMEXWBCKMKJ-UHFFFAOYSA-N 1 2 238.291 0.444 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ncccc2O)c1 ZINC000313475034 384413611 /nfs/dbraw/zinc/41/36/11/384413611.db2.gz SNDVEAURCCVGQB-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ncc[nH]1 ZINC000330364419 384376216 /nfs/dbraw/zinc/37/62/16/384376216.db2.gz NBFKLLXNIWYINL-QMMMGPOBSA-N 1 2 224.308 0.975 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H](C)O1 ZINC000247581842 384377965 /nfs/dbraw/zinc/37/79/65/384377965.db2.gz LPMPYYQJEWSEDH-HRDYMLBCSA-N 1 2 200.282 0.360 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H](C)O1 ZINC000247581842 384377968 /nfs/dbraw/zinc/37/79/68/384377968.db2.gz LPMPYYQJEWSEDH-HRDYMLBCSA-N 1 2 200.282 0.360 20 0 BCADLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000147937413 384456623 /nfs/dbraw/zinc/45/66/23/384456623.db2.gz OSAFWTGNIQMKPH-JTQLQIEISA-N 1 2 226.320 0.169 20 0 BCADLO CCN(CCCO)c1[nH+]cnc2c1cnn2C ZINC000135264993 384428768 /nfs/dbraw/zinc/42/87/68/384428768.db2.gz SSMNPOVWYZZJMB-UHFFFAOYSA-N 1 2 235.291 0.572 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC12CC2 ZINC000521368404 384429011 /nfs/dbraw/zinc/42/90/11/384429011.db2.gz IYOBCUMFZZGUGN-SNVBAGLBSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC12CC2 ZINC000521368404 384429018 /nfs/dbraw/zinc/42/90/18/384429018.db2.gz IYOBCUMFZZGUGN-SNVBAGLBSA-N 1 2 249.314 0.980 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000308927761 384438341 /nfs/dbraw/zinc/43/83/41/384438341.db2.gz IQPKPCYLBMOKLN-NGZCFLSTSA-N 1 2 215.293 0.689 20 0 BCADLO CCc1cnc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000556623781 384438615 /nfs/dbraw/zinc/43/86/15/384438615.db2.gz XILPGTZJYTVHBR-MRVPVSSYSA-N 1 2 238.291 0.480 20 0 BCADLO CCc1cnc(C[N@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000556623781 384438618 /nfs/dbraw/zinc/43/86/18/384438618.db2.gz XILPGTZJYTVHBR-MRVPVSSYSA-N 1 2 238.291 0.480 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(F)cn1 ZINC000135391026 384439734 /nfs/dbraw/zinc/43/97/34/384439734.db2.gz GUGHNSXPKLLRQB-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2CCOC2)c1Cl ZINC000236393877 384440718 /nfs/dbraw/zinc/44/07/18/384440718.db2.gz HYHXGBOLAZHBES-YFKPBYRVSA-N 1 2 214.656 0.913 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2CCOC2)c1Cl ZINC000236393877 384440724 /nfs/dbraw/zinc/44/07/24/384440724.db2.gz HYHXGBOLAZHBES-YFKPBYRVSA-N 1 2 214.656 0.913 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000157433962 384460207 /nfs/dbraw/zinc/46/02/07/384460207.db2.gz JUOUGHKTIDEBPR-VIFPVBQESA-N 1 2 225.296 0.068 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](CO)C1 ZINC000157433962 384460212 /nfs/dbraw/zinc/46/02/12/384460212.db2.gz JUOUGHKTIDEBPR-VIFPVBQESA-N 1 2 225.296 0.068 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000148836143 384474982 /nfs/dbraw/zinc/47/49/82/384474982.db2.gz ULMUIHLPTZRDQN-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000148836143 384474986 /nfs/dbraw/zinc/47/49/86/384474986.db2.gz ULMUIHLPTZRDQN-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC(F)(F)F ZINC000122423373 384483364 /nfs/dbraw/zinc/48/33/64/384483364.db2.gz WSDZLYVZJHPPBC-UHFFFAOYSA-N 1 2 236.197 0.782 20 0 BCADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000235635681 384486815 /nfs/dbraw/zinc/48/68/15/384486815.db2.gz NGPFRERNQGLJMT-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000235635681 384486817 /nfs/dbraw/zinc/48/68/17/384486817.db2.gz NGPFRERNQGLJMT-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO O[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000085540926 384534266 /nfs/dbraw/zinc/53/42/66/384534266.db2.gz IDVUPWMZKYHWLC-RNJXMRFFSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000085540926 384534272 /nfs/dbraw/zinc/53/42/72/384534272.db2.gz IDVUPWMZKYHWLC-RNJXMRFFSA-N 1 2 225.210 0.773 20 0 BCADLO Cc1nc(N(C)CC(C)(CO)CO)cc[nH+]1 ZINC000161851724 384534435 /nfs/dbraw/zinc/53/44/35/384534435.db2.gz SNDNZACLNGLHQW-UHFFFAOYSA-N 1 2 225.292 0.212 20 0 BCADLO Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)nc[nH+]1 ZINC000150853667 384515014 /nfs/dbraw/zinc/51/50/14/384515014.db2.gz CSGRCICMNVWQGK-SECBINFHSA-N 1 2 241.316 0.408 20 0 BCADLO COC(CN(C)Cc1[nH+]ccn1C)OC ZINC000085351511 384518294 /nfs/dbraw/zinc/51/82/94/384518294.db2.gz YZLRKTXSHXXERP-UHFFFAOYSA-N 1 2 213.281 0.471 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@H](C)C2)n1C ZINC000170764726 384522175 /nfs/dbraw/zinc/52/21/75/384522175.db2.gz RVEVYAJWDYTSCN-SECBINFHSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@H](C)C2)n1C ZINC000170764726 384522179 /nfs/dbraw/zinc/52/21/79/384522179.db2.gz RVEVYAJWDYTSCN-SECBINFHSA-N 1 2 224.308 0.734 20 0 BCADLO COC(=O)c1cccc(C[N@H+](C)CC(N)=O)c1 ZINC000049237263 384524725 /nfs/dbraw/zinc/52/47/25/384524725.db2.gz MBSPHVCRUZTYIO-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO COC(=O)c1cccc(C[N@@H+](C)CC(N)=O)c1 ZINC000049237263 384524732 /nfs/dbraw/zinc/52/47/32/384524732.db2.gz MBSPHVCRUZTYIO-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO C[C@H](CCO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000123282795 384548516 /nfs/dbraw/zinc/54/85/16/384548516.db2.gz UMRDCGPTQXLGJR-SNVBAGLBSA-N 1 2 247.298 0.764 20 0 BCADLO O=C([C@H]1CCCS1)N1CC[NH+](CCO)CC1 ZINC000069985800 384569063 /nfs/dbraw/zinc/56/90/63/384569063.db2.gz BOCGYFZGWHAVPB-SNVBAGLBSA-N 1 2 244.360 0.019 20 0 BCADLO Cc1nc(NC[C@@H]2CCC[C@@H](O)C2)nc(N)[nH+]1 ZINC000306069411 384569129 /nfs/dbraw/zinc/56/91/29/384569129.db2.gz BMKYGGNDMZIKBO-RKDXNWHRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H](O)C2)[nH+]1 ZINC000306069411 384569137 /nfs/dbraw/zinc/56/91/37/384569137.db2.gz BMKYGGNDMZIKBO-RKDXNWHRSA-N 1 2 237.307 0.725 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000162074233 384569530 /nfs/dbraw/zinc/56/95/30/384569530.db2.gz NYWPMWKRPRPHIP-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1nccc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000162074233 384569539 /nfs/dbraw/zinc/56/95/39/384569539.db2.gz NYWPMWKRPRPHIP-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cc1nc(N[C@H](C)c2cnn(C)c2)nc(N)[nH+]1 ZINC000306119849 384571459 /nfs/dbraw/zinc/57/14/59/384571459.db2.gz ZHZIKXGMNGWGAT-ZCFIWIBFSA-N 1 2 233.279 0.669 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)c2cnn(C)c2)[nH+]1 ZINC000306119849 384571466 /nfs/dbraw/zinc/57/14/66/384571466.db2.gz ZHZIKXGMNGWGAT-ZCFIWIBFSA-N 1 2 233.279 0.669 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000618399918 384585824 /nfs/dbraw/zinc/58/58/24/384585824.db2.gz QNPJHYYNCMFERA-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@](C)(CO)Nc1[nH+]cnc2c1cnn2C ZINC000080882577 384588316 /nfs/dbraw/zinc/58/83/16/384588316.db2.gz JKXQFLAANTXWKH-LLVKDONJSA-N 1 2 235.291 0.936 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC(F)(F)CO ZINC000184094606 384565289 /nfs/dbraw/zinc/56/52/89/384565289.db2.gz ITABOCLRBNMAES-UHFFFAOYSA-N 1 2 243.217 0.403 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1c(O)cccc1O ZINC000220244061 384567285 /nfs/dbraw/zinc/56/72/85/384567285.db2.gz KOKMTIHPGWQOLC-UHFFFAOYSA-N 1 2 233.227 0.751 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1c(O)cccc1O ZINC000220244061 384567292 /nfs/dbraw/zinc/56/72/92/384567292.db2.gz KOKMTIHPGWQOLC-UHFFFAOYSA-N 1 2 233.227 0.751 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N(CCO)C1CC1 ZINC000360105750 384624003 /nfs/dbraw/zinc/62/40/03/384624003.db2.gz UMCFKFUSJOYCBY-UHFFFAOYSA-N 1 2 238.291 0.086 20 0 BCADLO CNC(=O)CC[N@H+](C)CC(=O)c1cccn1C ZINC000171670805 384625330 /nfs/dbraw/zinc/62/53/30/384625330.db2.gz OXBKWEWVMLODQI-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CNC(=O)CC[N@@H+](C)CC(=O)c1cccn1C ZINC000171670805 384625334 /nfs/dbraw/zinc/62/53/34/384625334.db2.gz OXBKWEWVMLODQI-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO Cc1nc(N2CCO[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000184347776 384594362 /nfs/dbraw/zinc/59/43/62/384594362.db2.gz SNRWAJLUCJMYHM-LBPRGKRZSA-N 1 2 235.287 0.781 20 0 BCADLO CCC[C@@](C)([NH2+]CCC(=O)NC)C(=O)OC ZINC000111246807 384594525 /nfs/dbraw/zinc/59/45/25/384594525.db2.gz FIJWVPHJQZWBHA-LLVKDONJSA-N 1 2 230.308 0.444 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000520913899 384631975 /nfs/dbraw/zinc/63/19/75/384631975.db2.gz WYZOCUQCMIUHBY-VHSXEESVSA-N 1 2 225.292 0.406 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000517956546 384597973 /nfs/dbraw/zinc/59/79/73/384597973.db2.gz CZKNZNZPJMGYHJ-KOLCDFICSA-N 1 2 222.292 0.661 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000517956546 384597983 /nfs/dbraw/zinc/59/79/83/384597983.db2.gz CZKNZNZPJMGYHJ-KOLCDFICSA-N 1 2 222.292 0.661 20 0 BCADLO COC[C@](C)(O)C(=O)Nc1c[nH+]ccc1OC ZINC000531020058 384667501 /nfs/dbraw/zinc/66/75/01/384667501.db2.gz UYJAWWMQTXBGLK-NSHDSACASA-N 1 2 240.259 0.426 20 0 BCADLO OC[C@@H]1CCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000047496318 384670068 /nfs/dbraw/zinc/67/00/68/384670068.db2.gz CPVBPFDACPCPBT-JTQLQIEISA-N 1 2 237.307 0.355 20 0 BCADLO OC[C@@H]1CCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000047496318 384670071 /nfs/dbraw/zinc/67/00/71/384670071.db2.gz CPVBPFDACPCPBT-JTQLQIEISA-N 1 2 237.307 0.355 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCc1cn[nH]c1 ZINC000358122466 384655951 /nfs/dbraw/zinc/65/59/51/384655951.db2.gz ULFQBPHRKMVSCZ-UHFFFAOYSA-N 1 2 248.290 0.185 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)[nH]n1 ZINC000171758585 384660135 /nfs/dbraw/zinc/66/01/35/384660135.db2.gz XTHLWFUXTRSWPA-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(C2CC2)n[nH]1 ZINC000171758441 384661454 /nfs/dbraw/zinc/66/14/54/384661454.db2.gz MVBMQLYINVDCJH-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO C[C@@](O)(C(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000427508456 384677250 /nfs/dbraw/zinc/67/72/50/384677250.db2.gz BGCNRPYEZMJDSX-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO COC(=O)C[N@H+](C)CCOC[C@H]1CCCO1 ZINC000533835076 384682537 /nfs/dbraw/zinc/68/25/37/384682537.db2.gz OLOKWEXFBJYINS-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)C[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000533835076 384682541 /nfs/dbraw/zinc/68/25/41/384682541.db2.gz OLOKWEXFBJYINS-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCCC(=O)OC ZINC000050051786 384692168 /nfs/dbraw/zinc/69/21/68/384692168.db2.gz GXGXBDKRFSWVKV-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCCC(=O)OC ZINC000050051786 384692175 /nfs/dbraw/zinc/69/21/75/384692175.db2.gz GXGXBDKRFSWVKV-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000050373114 384694441 /nfs/dbraw/zinc/69/44/41/384694441.db2.gz UAKCLAVYKYVZMK-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944402 384694783 /nfs/dbraw/zinc/69/47/83/384694783.db2.gz ZUGPJKCIEMRPLU-IJLUTSLNSA-N 1 2 238.331 0.576 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000308510950 384774751 /nfs/dbraw/zinc/77/47/51/384774751.db2.gz KUQWATPYFFJPMJ-IUCAKERBSA-N 1 2 203.282 0.809 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCCCCO ZINC000448144829 384777067 /nfs/dbraw/zinc/77/70/67/384777067.db2.gz GZUWTXKEJGAZGB-UHFFFAOYSA-N 1 2 240.307 0.382 20 0 BCADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(N)=O)s1 ZINC000126099359 384730689 /nfs/dbraw/zinc/73/06/89/384730689.db2.gz YKIUAXKTEOGZCU-RNFRBKRXSA-N 1 2 213.306 0.976 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2csnn2)[C@H]1OC ZINC000309958312 384740807 /nfs/dbraw/zinc/74/08/07/384740807.db2.gz JSNBWOIGUUOUPB-OPRDCNLKSA-N 1 2 243.332 0.820 20 0 BCADLO Cc1cncc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000143831314 384742649 /nfs/dbraw/zinc/74/26/49/384742649.db2.gz ZKHKRVWLABGKLF-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccnc(N)c1 ZINC000052720255 384743166 /nfs/dbraw/zinc/74/31/66/384743166.db2.gz DQIULJLFQATETJ-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccnc(N)c1 ZINC000052720255 384743175 /nfs/dbraw/zinc/74/31/75/384743175.db2.gz DQIULJLFQATETJ-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO CCc1cc(N)nc(SCC(=O)OC)[nH+]1 ZINC000279025746 384746036 /nfs/dbraw/zinc/74/60/36/384746036.db2.gz CQLAZXUGWOWHPE-UHFFFAOYSA-N 1 2 227.289 0.886 20 0 BCADLO CC(C)(CCO)NC(=O)CCn1cc[nH+]c1 ZINC000163125652 384747992 /nfs/dbraw/zinc/74/79/92/384747992.db2.gz JGPVYILJMXBQPV-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000103283292 384759681 /nfs/dbraw/zinc/75/96/81/384759681.db2.gz FGRHSVVKAAREAX-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000103283292 384759688 /nfs/dbraw/zinc/75/96/88/384759688.db2.gz FGRHSVVKAAREAX-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO O=C1C[C@H](Nc2cc[nH+]c3ccncc23)CN1 ZINC000362644600 384761202 /nfs/dbraw/zinc/76/12/02/384761202.db2.gz TUEBEKWHEFUSLQ-QMMMGPOBSA-N 1 2 228.255 0.352 20 0 BCADLO COC(C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1)OC ZINC000367589499 384821229 /nfs/dbraw/zinc/82/12/29/384821229.db2.gz ZZNNLYVQSKMJKX-GHMZBOCLSA-N 1 2 245.319 0.485 20 0 BCADLO COC(C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1)OC ZINC000367589499 384821234 /nfs/dbraw/zinc/82/12/34/384821234.db2.gz ZZNNLYVQSKMJKX-GHMZBOCLSA-N 1 2 245.319 0.485 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)NCc1c[nH+]cn1C ZINC000360296525 384825796 /nfs/dbraw/zinc/82/57/96/384825796.db2.gz PPLGBOPKGJXUFR-BDAKNGLRSA-N 1 2 240.307 0.379 20 0 BCADLO CCCc1nc(C[NH2+]C(C)(C)CC(N)=O)no1 ZINC000186235331 384828494 /nfs/dbraw/zinc/82/84/94/384828494.db2.gz CBIWLEXXTOEICQ-UHFFFAOYSA-N 1 2 240.307 0.766 20 0 BCADLO C[C@@H](O)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256722 384835717 /nfs/dbraw/zinc/83/57/17/384835717.db2.gz QPPBMUWNCZCMDN-MRVPVSSYSA-N 1 2 222.244 0.052 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@](C)(O)C1CC1 ZINC000292628585 384781338 /nfs/dbraw/zinc/78/13/38/384781338.db2.gz JQKFMVDUFJZILU-LLVKDONJSA-N 1 2 223.276 0.197 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@](C)(O)C1CC1 ZINC000292628590 384781940 /nfs/dbraw/zinc/78/19/40/384781940.db2.gz JQKFMVDUFJZILU-NSHDSACASA-N 1 2 223.276 0.197 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)C(=O)OC ZINC000310013044 384783819 /nfs/dbraw/zinc/78/38/19/384783819.db2.gz JMFYNWBNYAVHQZ-ZJUUUORDSA-N 1 2 228.292 0.148 20 0 BCADLO CN1C[C@@H](C[NH+]2CC(C(F)(F)F)C2)OC1=O ZINC000497148762 384797594 /nfs/dbraw/zinc/79/75/94/384797594.db2.gz OLSINMLPPQSSQW-ZETCQYMHSA-N 1 2 238.209 0.931 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H](C)CO ZINC000518214457 384804304 /nfs/dbraw/zinc/80/43/04/384804304.db2.gz TWWILDONJYLHSD-KXUCPTDWSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@@H](C)CO ZINC000518214457 384804310 /nfs/dbraw/zinc/80/43/10/384804310.db2.gz TWWILDONJYLHSD-KXUCPTDWSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000518214459 384805750 /nfs/dbraw/zinc/80/57/50/384805750.db2.gz TWWILDONJYLHSD-UTLUCORTSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000518214459 384805757 /nfs/dbraw/zinc/80/57/57/384805757.db2.gz TWWILDONJYLHSD-UTLUCORTSA-N 1 2 239.319 0.721 20 0 BCADLO CC1(C)C[N@H+](Cc2csnn2)C[C@H]1O ZINC000306841692 384837092 /nfs/dbraw/zinc/83/70/92/384837092.db2.gz ATIJVMZMLMQAIU-MRVPVSSYSA-N 1 2 213.306 0.741 20 0 BCADLO CC1(C)C[N@@H+](Cc2csnn2)C[C@H]1O ZINC000306841692 384837102 /nfs/dbraw/zinc/83/71/02/384837102.db2.gz ATIJVMZMLMQAIU-MRVPVSSYSA-N 1 2 213.306 0.741 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)[C@H](C)O ZINC000308611760 384871530 /nfs/dbraw/zinc/87/15/30/384871530.db2.gz QWNWMJVOLWBQIV-XSPKLOCKSA-N 1 2 201.266 0.154 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000398275448 384881657 /nfs/dbraw/zinc/88/16/57/384881657.db2.gz SEBBLSXEJRWPAB-ZETCQYMHSA-N 1 2 228.321 0.713 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306332553 384886600 /nfs/dbraw/zinc/88/66/00/384886600.db2.gz QPFSVCOCAZUXBU-RVBZMBCESA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306332553 384886606 /nfs/dbraw/zinc/88/66/06/384886606.db2.gz QPFSVCOCAZUXBU-RVBZMBCESA-N 1 2 205.323 0.210 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CO1 ZINC000335428302 384838884 /nfs/dbraw/zinc/83/88/84/384838884.db2.gz CBDCIRXQKWBDBI-BDAKNGLRSA-N 1 2 238.291 0.397 20 0 BCADLO CN(C[C@@H]1CCOC1)c1[nH+]cnc2c1cnn2C ZINC000174920541 384851325 /nfs/dbraw/zinc/85/13/25/384851325.db2.gz JTAXLNFLDDVLAJ-VIFPVBQESA-N 1 2 247.302 0.836 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156368043 384854295 /nfs/dbraw/zinc/85/42/95/384854295.db2.gz JJUUWMCXZLIDQJ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156368043 384854302 /nfs/dbraw/zinc/85/43/02/384854302.db2.gz JJUUWMCXZLIDQJ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000112342440 384855884 /nfs/dbraw/zinc/85/58/84/384855884.db2.gz UKLVCYZJKWZQBZ-SSDOTTSWSA-N 1 2 223.198 0.433 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000112345316 384856051 /nfs/dbraw/zinc/85/60/51/384856051.db2.gz HYBBRTSBKMSZKG-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000112345316 384856054 /nfs/dbraw/zinc/85/60/54/384856054.db2.gz HYBBRTSBKMSZKG-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1csnn1 ZINC000398227983 384859124 /nfs/dbraw/zinc/85/91/24/384859124.db2.gz GKISTXFDQRKXDJ-SSDOTTSWSA-N 1 2 240.332 0.715 20 0 BCADLO C[C@H](C(=O)NC1CC1)[NH+]1CC(O)(C2CC2)C1 ZINC000084377170 384862993 /nfs/dbraw/zinc/86/29/93/384862993.db2.gz XGXSHMBRZMBFKA-MRVPVSSYSA-N 1 2 224.304 0.110 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC[C@H](C)O)n1C ZINC000128441886 384950026 /nfs/dbraw/zinc/95/00/26/384950026.db2.gz SHZFTKVCVCWLRN-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@H+](C)CC[C@H](C)O)n1C ZINC000128441886 384950031 /nfs/dbraw/zinc/95/00/31/384950031.db2.gz SHZFTKVCVCWLRN-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cnccn1 ZINC000175782228 384957971 /nfs/dbraw/zinc/95/79/71/384957971.db2.gz FQSYOSYSOSGIOV-VIFPVBQESA-N 1 2 222.292 0.385 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cnccn1 ZINC000175782228 384957976 /nfs/dbraw/zinc/95/79/76/384957976.db2.gz FQSYOSYSOSGIOV-VIFPVBQESA-N 1 2 222.292 0.385 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(F)C1 ZINC000335554535 384898978 /nfs/dbraw/zinc/89/89/78/384898978.db2.gz WNLKXXJSFUWWOM-QMMMGPOBSA-N 1 2 223.251 0.626 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364045668 384902918 /nfs/dbraw/zinc/90/29/18/384902918.db2.gz WALJVDZQWNFHBB-UWVGGRQHSA-N 1 2 237.303 0.190 20 0 BCADLO CO[C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000056150855 384905530 /nfs/dbraw/zinc/90/55/30/384905530.db2.gz NTRLJBCMHNBJHO-VIFPVBQESA-N 1 2 237.303 0.799 20 0 BCADLO COCCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000644490800 384910706 /nfs/dbraw/zinc/91/07/06/384910706.db2.gz SUBIRBBASPOMAM-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COCCCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000644490800 384910709 /nfs/dbraw/zinc/91/07/09/384910709.db2.gz SUBIRBBASPOMAM-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@](O)(C[NH+]1CCOCC1)C(F)(F)F ZINC000306379445 384912197 /nfs/dbraw/zinc/91/21/97/384912197.db2.gz PXFDPTVQSNAWCH-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336495733 384912474 /nfs/dbraw/zinc/91/24/74/384912474.db2.gz FHYSKXDPNPVDCY-VDTYLAMSSA-N 1 2 226.198 0.909 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336495733 384912478 /nfs/dbraw/zinc/91/24/78/384912478.db2.gz FHYSKXDPNPVDCY-VDTYLAMSSA-N 1 2 226.198 0.909 20 0 BCADLO CC(C)(C)c1nc(NC[C@@H](O)CO)cc[nH+]1 ZINC000301718147 384913556 /nfs/dbraw/zinc/91/35/56/384913556.db2.gz LGXDLQNOJGFLSF-MRVPVSSYSA-N 1 2 225.292 0.539 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000149462740 384930383 /nfs/dbraw/zinc/93/03/83/384930383.db2.gz OBYXAOZYKKSLLI-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000149462740 384930385 /nfs/dbraw/zinc/93/03/85/384930385.db2.gz OBYXAOZYKKSLLI-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO O=C(OCCCF)N1CC[NH+](CCO)CC1 ZINC000497268376 384930685 /nfs/dbraw/zinc/93/06/85/384930685.db2.gz ZTSPNINKFGGFDT-UHFFFAOYSA-N 1 2 234.271 0.093 20 0 BCADLO COC[C@H](CCO)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367615138 384935227 /nfs/dbraw/zinc/93/52/27/384935227.db2.gz KAKFWODXTHZLNA-GXSJLCMTSA-N 1 2 239.319 0.774 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000557420201 384935793 /nfs/dbraw/zinc/93/57/93/384935793.db2.gz ADDBIJGZQRUIDW-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C1=NN(C)C(=O)CC1 ZINC000107294387 384960502 /nfs/dbraw/zinc/96/05/02/384960502.db2.gz ZIENBWQURJYNBE-UHFFFAOYSA-N 1 2 246.270 0.937 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000175913141 384982304 /nfs/dbraw/zinc/98/23/04/384982304.db2.gz BDBLIDNMIITRBD-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000175913141 384982308 /nfs/dbraw/zinc/98/23/08/384982308.db2.gz BDBLIDNMIITRBD-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000226402406 385010984 /nfs/dbraw/zinc/01/09/84/385010984.db2.gz NMVHNYRBZNYCNS-DTWKUNHWSA-N 1 2 239.323 0.503 20 0 BCADLO CO[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CC1 ZINC000400169402 385048591 /nfs/dbraw/zinc/04/85/91/385048591.db2.gz KONFUPGPJDYRFH-SCZZXKLOSA-N 1 2 224.308 0.891 20 0 BCADLO CN(CC1(CO)CC1)c1[nH+]cnc2c1cnn2C ZINC000188464047 385056342 /nfs/dbraw/zinc/05/63/42/385056342.db2.gz LHOLQTOBOOOGPG-UHFFFAOYSA-N 1 2 247.302 0.572 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@@H](O)C2CC2)C1 ZINC000646916774 385058091 /nfs/dbraw/zinc/05/80/91/385058091.db2.gz QGFXUKOIZGNBNP-SNVBAGLBSA-N 1 2 226.320 0.215 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000105979706 385063922 /nfs/dbraw/zinc/06/39/22/385063922.db2.gz ZIFZSQHLWHQLKS-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000105979706 385063928 /nfs/dbraw/zinc/06/39/28/385063928.db2.gz ZIFZSQHLWHQLKS-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046349 385065412 /nfs/dbraw/zinc/06/54/12/385065412.db2.gz WENQLRPOBSLAGE-JXUBOQSCSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046349 385065419 /nfs/dbraw/zinc/06/54/19/385065419.db2.gz WENQLRPOBSLAGE-JXUBOQSCSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046346 385065912 /nfs/dbraw/zinc/06/59/12/385065912.db2.gz WENQLRPOBSLAGE-JLIMGVALSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046346 385065918 /nfs/dbraw/zinc/06/59/18/385065918.db2.gz WENQLRPOBSLAGE-JLIMGVALSA-N 1 2 230.283 0.452 20 0 BCADLO CC(=O)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000203584174 385069700 /nfs/dbraw/zinc/06/97/00/385069700.db2.gz YBAUSSYISUGQOV-UHFFFAOYSA-N 1 2 209.249 0.737 20 0 BCADLO Cc1nc(CN2CCn3cc[nH+]c3C2)no1 ZINC000407947316 385076695 /nfs/dbraw/zinc/07/66/95/385076695.db2.gz AGYVZBKHMGFYGY-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO C[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000341267914 385081566 /nfs/dbraw/zinc/08/15/66/385081566.db2.gz BJMCCWVUSFOAPT-HTQZYQBOSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000341267914 385081572 /nfs/dbraw/zinc/08/15/72/385081572.db2.gz BJMCCWVUSFOAPT-HTQZYQBOSA-N 1 2 223.276 0.327 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](C)CC[S@](C)=O ZINC000130148809 385023625 /nfs/dbraw/zinc/02/36/25/385023625.db2.gz INFWNXJSYHMBNY-ANRSDYALSA-N 1 2 229.349 0.965 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1nccn1C(F)F ZINC000310390635 385029572 /nfs/dbraw/zinc/02/95/72/385029572.db2.gz DMKYSHXDJITSFP-QMMMGPOBSA-N 1 2 249.261 0.453 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1nccn1C(F)F ZINC000310390635 385029578 /nfs/dbraw/zinc/02/95/78/385029578.db2.gz DMKYSHXDJITSFP-QMMMGPOBSA-N 1 2 249.261 0.453 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCCOCC1 ZINC000364132314 385032088 /nfs/dbraw/zinc/03/20/88/385032088.db2.gz VCABKKJAXOKSFD-UHFFFAOYSA-N 1 2 224.308 0.910 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCCOCC1 ZINC000364132314 385032097 /nfs/dbraw/zinc/03/20/97/385032097.db2.gz VCABKKJAXOKSFD-UHFFFAOYSA-N 1 2 224.308 0.910 20 0 BCADLO C[C@H](O)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340161226 385038833 /nfs/dbraw/zinc/03/88/33/385038833.db2.gz CUVABMCRPQSLRF-CBAPKCEASA-N 1 2 238.316 0.926 20 0 BCADLO C[C@@H](O)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340161225 385040323 /nfs/dbraw/zinc/04/03/23/385040323.db2.gz CUVABMCRPQSLRF-APPZFPTMSA-N 1 2 238.316 0.926 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC000310412559 385045250 /nfs/dbraw/zinc/04/52/50/385045250.db2.gz MPBSCFMZKXJBJU-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC000310412559 385045255 /nfs/dbraw/zinc/04/52/55/385045255.db2.gz MPBSCFMZKXJBJU-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@H](C(=O)N1CCC1(C)C)[NH+]1CCN(C)CC1 ZINC000530849264 385111850 /nfs/dbraw/zinc/11/18/50/385111850.db2.gz LGGHHHJEPJRJAP-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516662339 385116023 /nfs/dbraw/zinc/11/60/23/385116023.db2.gz ZTTRKCYFHKLGKI-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516662339 385116028 /nfs/dbraw/zinc/11/60/28/385116028.db2.gz ZTTRKCYFHKLGKI-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1cc(N2C[C@@H](CO)OC[C@H]2C)nc[nH+]1 ZINC000227393797 385137875 /nfs/dbraw/zinc/13/78/75/385137875.db2.gz JRJPELULDCZOBR-ZJUUUORDSA-N 1 2 223.276 0.371 20 0 BCADLO C[C@H](O)CN1CC[NH+](CCc2cccnc2)CC1 ZINC000189295397 385140024 /nfs/dbraw/zinc/14/00/24/385140024.db2.gz YMBWUTYXICHRAB-ZDUSSCGKSA-N 1 2 249.358 0.623 20 0 BCADLO Cc1noc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000407948071 385088101 /nfs/dbraw/zinc/08/81/01/385088101.db2.gz SMBZMFDTIYSQGZ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000407948071 385088108 /nfs/dbraw/zinc/08/81/08/385088108.db2.gz SMBZMFDTIYSQGZ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189291883 385140478 /nfs/dbraw/zinc/14/04/78/385140478.db2.gz SGOVVVSKFBPWLI-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189291883 385140481 /nfs/dbraw/zinc/14/04/81/385140481.db2.gz SGOVVVSKFBPWLI-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@H+](Cc1cscn1)[C@H]1COC[C@H]1O ZINC000306578300 385096590 /nfs/dbraw/zinc/09/65/90/385096590.db2.gz VUWFTWSGSLFTFS-DTWKUNHWSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@H]1COC[C@H]1O ZINC000306578300 385096595 /nfs/dbraw/zinc/09/65/95/385096595.db2.gz VUWFTWSGSLFTFS-DTWKUNHWSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1nnc(C[NH2+]C(C)(C)c2cnn(C)c2)[nH]1 ZINC000644684394 385098775 /nfs/dbraw/zinc/09/87/75/385098775.db2.gz DLOLTBUCHFZKFY-UHFFFAOYSA-N 1 2 234.307 0.872 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000407949308 385101171 /nfs/dbraw/zinc/10/11/71/385101171.db2.gz GGANGGLPLZLQNZ-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000407949308 385101178 /nfs/dbraw/zinc/10/11/78/385101178.db2.gz GGANGGLPLZLQNZ-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)n1C ZINC000407949837 385104780 /nfs/dbraw/zinc/10/47/80/385104780.db2.gz WCVRMHRVWJWQTM-LLVKDONJSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@](C)(O)C2)n1C ZINC000407949837 385104787 /nfs/dbraw/zinc/10/47/87/385104787.db2.gz WCVRMHRVWJWQTM-LLVKDONJSA-N 1 2 224.308 0.334 20 0 BCADLO CC[C@@H](O)CCNc1nc(C)[nH+]c(N)n1 ZINC000308788592 385105190 /nfs/dbraw/zinc/10/51/90/385105190.db2.gz CFTAUMLFBAZMPH-SSDOTTSWSA-N 1 2 211.269 0.335 20 0 BCADLO CC[C@@H](O)CCNc1nc(N)nc(C)[nH+]1 ZINC000308788592 385105199 /nfs/dbraw/zinc/10/51/99/385105199.db2.gz CFTAUMLFBAZMPH-SSDOTTSWSA-N 1 2 211.269 0.335 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](O)C2)[nH]1 ZINC000408397193 385106302 /nfs/dbraw/zinc/10/63/02/385106302.db2.gz SAYNQCUUMLYGKO-QMMMGPOBSA-N 1 2 224.308 0.669 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](O)C2)[nH]1 ZINC000408397193 385106309 /nfs/dbraw/zinc/10/63/09/385106309.db2.gz SAYNQCUUMLYGKO-QMMMGPOBSA-N 1 2 224.308 0.669 20 0 BCADLO C[C@@H](O)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176523654 385107166 /nfs/dbraw/zinc/10/71/66/385107166.db2.gz XGQCRUNOLBIOHX-SECBINFHSA-N 1 2 233.271 0.787 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000152552928 385191465 /nfs/dbraw/zinc/19/14/65/385191465.db2.gz WXTOFUXICGYRME-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)n1C ZINC000177968628 385146081 /nfs/dbraw/zinc/14/60/81/385146081.db2.gz XAHYKSYURHQMSU-LBPRGKRZSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)n1C ZINC000177968628 385146086 /nfs/dbraw/zinc/14/60/86/385146086.db2.gz XAHYKSYURHQMSU-LBPRGKRZSA-N 1 2 238.335 0.895 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)nc1 ZINC000157309323 385148369 /nfs/dbraw/zinc/14/83/69/385148369.db2.gz IEYBKCKVMBDDKA-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)nc1 ZINC000157309323 385148376 /nfs/dbraw/zinc/14/83/76/385148376.db2.gz IEYBKCKVMBDDKA-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO CCc1noc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000644783080 385149810 /nfs/dbraw/zinc/14/98/10/385149810.db2.gz JLSTWVSALFICRO-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000644783080 385149812 /nfs/dbraw/zinc/14/98/12/385149812.db2.gz JLSTWVSALFICRO-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000189427797 385153538 /nfs/dbraw/zinc/15/35/38/385153538.db2.gz QIFBESDHADSITA-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000189427797 385153540 /nfs/dbraw/zinc/15/35/40/385153540.db2.gz QIFBESDHADSITA-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000189461909 385158830 /nfs/dbraw/zinc/15/88/30/385158830.db2.gz XUKCIKDVKOFUHV-VHSXEESVSA-N 1 2 225.292 0.645 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246381368 385161898 /nfs/dbraw/zinc/16/18/98/385161898.db2.gz ACRPCQWYWPAOAS-GHMZBOCLSA-N 1 2 248.330 0.663 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000178002500 385168518 /nfs/dbraw/zinc/16/85/18/385168518.db2.gz TYWVCYNGHQEFCJ-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000178002500 385168525 /nfs/dbraw/zinc/16/85/25/385168525.db2.gz TYWVCYNGHQEFCJ-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO O=C1OCC[C@@]12CCCN2Cc1c[nH+]c[nH]1 ZINC000190041635 385207092 /nfs/dbraw/zinc/20/70/92/385207092.db2.gz VENLVDFKAPTQFA-NSHDSACASA-N 1 2 221.260 0.691 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969573 385211518 /nfs/dbraw/zinc/21/15/18/385211518.db2.gz SNMAVSAOCHDIDY-ZCFIWIBFSA-N 1 2 240.225 0.249 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313029194 385211724 /nfs/dbraw/zinc/21/17/24/385211724.db2.gz HRXRQVAOHGPJJD-UWVGGRQHSA-N 1 2 227.304 0.953 20 0 BCADLO C[C@H](O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166042863 385215065 /nfs/dbraw/zinc/21/50/65/385215065.db2.gz KZXSYURDBIATNP-ONGXEEELSA-N 1 2 222.288 0.781 20 0 BCADLO CN(CCO)c1cc(N2CCCCC2)nc[nH+]1 ZINC000152864391 385219270 /nfs/dbraw/zinc/21/92/70/385219270.db2.gz RDTFBKIWCZANCE-UHFFFAOYSA-N 1 2 236.319 0.895 20 0 BCADLO CN(CCO)c1cc(N2CCCCC2)[nH+]cn1 ZINC000152864391 385219283 /nfs/dbraw/zinc/21/92/83/385219283.db2.gz RDTFBKIWCZANCE-UHFFFAOYSA-N 1 2 236.319 0.895 20 0 BCADLO CO[C@H](C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000292108405 385223950 /nfs/dbraw/zinc/22/39/50/385223950.db2.gz WBTIKLLXTGZXTR-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO CC(=O)CCC(=O)N1CC[NH+](CCCF)CC1 ZINC000402766504 385256743 /nfs/dbraw/zinc/25/67/43/385256743.db2.gz GZXBBKJMHHGHIX-UHFFFAOYSA-N 1 2 244.310 0.859 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000308881323 385234887 /nfs/dbraw/zinc/23/48/87/385234887.db2.gz DCYVTRMMUCZXPW-SECBINFHSA-N 1 2 210.281 0.317 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000308881323 385234890 /nfs/dbraw/zinc/23/48/90/385234890.db2.gz DCYVTRMMUCZXPW-SECBINFHSA-N 1 2 210.281 0.317 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000308881325 385234971 /nfs/dbraw/zinc/23/49/71/385234971.db2.gz DCYVTRMMUCZXPW-VIFPVBQESA-N 1 2 210.281 0.317 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000308881325 385234975 /nfs/dbraw/zinc/23/49/75/385234975.db2.gz DCYVTRMMUCZXPW-VIFPVBQESA-N 1 2 210.281 0.317 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000557967150 385251845 /nfs/dbraw/zinc/25/18/45/385251845.db2.gz AKNGKEHGFXLUAG-CIUDSAMLSA-N 1 2 248.273 0.477 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000557967150 385251853 /nfs/dbraw/zinc/25/18/53/385251853.db2.gz AKNGKEHGFXLUAG-CIUDSAMLSA-N 1 2 248.273 0.477 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000280092541 385253131 /nfs/dbraw/zinc/25/31/31/385253131.db2.gz ZGAKTUUPQOMLEB-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000449773680 385202961 /nfs/dbraw/zinc/20/29/61/385202961.db2.gz NJAKBLYJDSYURQ-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccoc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000449773680 385202965 /nfs/dbraw/zinc/20/29/65/385202965.db2.gz NJAKBLYJDSYURQ-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO CC(C)N(CC(N)=O)Cc1c[nH+]cn1C ZINC000177237048 385203547 /nfs/dbraw/zinc/20/35/47/385203547.db2.gz MEKXLBRQMZEDGK-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO O=C1OCC[C@]12CCCN2Cc1c[nH+]c[nH]1 ZINC000190041653 385205339 /nfs/dbraw/zinc/20/53/39/385205339.db2.gz VENLVDFKAPTQFA-LLVKDONJSA-N 1 2 221.260 0.691 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000152697834 385205340 /nfs/dbraw/zinc/20/53/40/385205340.db2.gz PRQYHKCAUIVZGG-ZJUUUORDSA-N 1 2 240.307 0.199 20 0 BCADLO Cc1csc(C[NH2+]CC(=O)NCC(F)F)n1 ZINC000280413206 385304740 /nfs/dbraw/zinc/30/47/40/385304740.db2.gz YSQKCFBULRVDBH-UHFFFAOYSA-N 1 2 249.286 0.922 20 0 BCADLO CC[N@H+](CCn1cccn1)CCS(C)(=O)=O ZINC000154206455 385310262 /nfs/dbraw/zinc/31/02/62/385310262.db2.gz LGGHNGFREZPSAK-UHFFFAOYSA-N 1 2 245.348 0.250 20 0 BCADLO CC[N@@H+](CCn1cccn1)CCS(C)(=O)=O ZINC000154206455 385310267 /nfs/dbraw/zinc/31/02/67/385310267.db2.gz LGGHNGFREZPSAK-UHFFFAOYSA-N 1 2 245.348 0.250 20 0 BCADLO CC[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC ZINC000313060534 385312349 /nfs/dbraw/zinc/31/23/49/385312349.db2.gz WBYVGLDURFRDMZ-BDAKNGLRSA-N 1 2 215.293 0.953 20 0 BCADLO CCN(CC(N)=O)Cc1cn2cc(C)ccc2[nH+]1 ZINC000191712935 385319114 /nfs/dbraw/zinc/31/91/14/385319114.db2.gz IKTKJWOMFMNULV-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C(=O)OC)co1 ZINC000191710042 385319919 /nfs/dbraw/zinc/31/99/19/385319919.db2.gz HWRUBXHILNHRAS-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C(=O)OC)co1 ZINC000191710042 385319923 /nfs/dbraw/zinc/31/99/23/385319923.db2.gz HWRUBXHILNHRAS-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000191751916 385321060 /nfs/dbraw/zinc/32/10/60/385321060.db2.gz SJMUNFAENNNBCR-VHSXEESVSA-N 1 2 240.307 0.606 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccon1 ZINC000408056750 385321836 /nfs/dbraw/zinc/32/18/36/385321836.db2.gz LAICCKLUBMORSS-WCBMZHEXSA-N 1 2 239.275 0.182 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccon1 ZINC000408056750 385321841 /nfs/dbraw/zinc/32/18/41/385321841.db2.gz LAICCKLUBMORSS-WCBMZHEXSA-N 1 2 239.275 0.182 20 0 BCADLO CCN(CC(N)=O)Cc1[nH+]ccn1C(C)C ZINC000191732098 385322577 /nfs/dbraw/zinc/32/25/77/385322577.db2.gz IFNILTBPQNODHO-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000308927751 385289390 /nfs/dbraw/zinc/28/93/90/385289390.db2.gz IQPKPCYLBMOKLN-ATZCPNFKSA-N 1 2 215.293 0.689 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](O)C1 ZINC000408059416 385388777 /nfs/dbraw/zinc/38/87/77/385388777.db2.gz GTYWOINNOJKAGU-SECBINFHSA-N 1 2 238.291 0.086 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccon1 ZINC000308997590 385338074 /nfs/dbraw/zinc/33/80/74/385338074.db2.gz NBNSJNSZKRICRW-IONNQARKSA-N 1 2 209.249 0.556 20 0 BCADLO C[C@@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000227849347 385343966 /nfs/dbraw/zinc/34/39/66/385343966.db2.gz JSZGUIKPLRCNIR-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO C[C@@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000227849347 385343972 /nfs/dbraw/zinc/34/39/72/385343972.db2.gz JSZGUIKPLRCNIR-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO Cn1c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)nnc1C1CC1 ZINC000364314011 385344991 /nfs/dbraw/zinc/34/49/91/385344991.db2.gz GKXARIREEJVJQT-SNVBAGLBSA-N 1 2 248.330 0.649 20 0 BCADLO Cn1c(C[N@H+]2C[C@@H](O)C3(CC3)C2)nnc1C1CC1 ZINC000364314011 385344995 /nfs/dbraw/zinc/34/49/95/385344995.db2.gz GKXARIREEJVJQT-SNVBAGLBSA-N 1 2 248.330 0.649 20 0 BCADLO C[C@@H](CCO)NC(=O)NCCCn1cc[nH+]c1 ZINC000154841631 385359918 /nfs/dbraw/zinc/35/99/18/385359918.db2.gz XGNJCFOXLVDNSN-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CC(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000110113540 385380343 /nfs/dbraw/zinc/38/03/43/385380343.db2.gz XBSAJYQNMFWTBW-UHFFFAOYSA-N 1 2 220.276 0.902 20 0 BCADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000193009223 385381146 /nfs/dbraw/zinc/38/11/46/385381146.db2.gz ZZOJSLQMBLFBQQ-CMPLNLGQSA-N 1 2 224.304 0.779 20 0 BCADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000193009223 385381150 /nfs/dbraw/zinc/38/11/50/385381150.db2.gz ZZOJSLQMBLFBQQ-CMPLNLGQSA-N 1 2 224.304 0.779 20 0 BCADLO C[C@@H]([NH2+]Cc1ncn(C)n1)[C@H]1CCCO1 ZINC000309117862 385424082 /nfs/dbraw/zinc/42/40/82/385424082.db2.gz RUAFSFUYZWJTAL-RKDXNWHRSA-N 1 2 210.281 0.472 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000309069671 385394063 /nfs/dbraw/zinc/39/40/63/385394063.db2.gz AXYWESODKJHYFB-KWQFWETISA-N 1 2 215.293 0.953 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000364378585 385396621 /nfs/dbraw/zinc/39/66/21/385396621.db2.gz DWSQYRFRFRSJBK-MRVPVSSYSA-N 1 2 247.258 0.198 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC000309108502 385425969 /nfs/dbraw/zinc/42/59/69/385425969.db2.gz NDQIRDVVFCJSCI-SECBINFHSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)CCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362067339 385415750 /nfs/dbraw/zinc/41/57/50/385415750.db2.gz QFQQQSGNSZMAOZ-ORMTXKICSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)CCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362067339 385415754 /nfs/dbraw/zinc/41/57/54/385415754.db2.gz QFQQQSGNSZMAOZ-ORMTXKICSA-N 1 2 247.360 0.781 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000362069840 385416951 /nfs/dbraw/zinc/41/69/51/385416951.db2.gz FRLQJDYLDMGQMB-IUCAKERBSA-N 1 2 210.281 0.690 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000362069840 385416954 /nfs/dbraw/zinc/41/69/54/385416954.db2.gz FRLQJDYLDMGQMB-IUCAKERBSA-N 1 2 210.281 0.690 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000193882248 385417435 /nfs/dbraw/zinc/41/74/35/385417435.db2.gz DWLIVXCQYQTFSX-UHFFFAOYSA-N 1 2 220.276 0.306 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000193882248 385417438 /nfs/dbraw/zinc/41/74/38/385417438.db2.gz DWLIVXCQYQTFSX-UHFFFAOYSA-N 1 2 220.276 0.306 20 0 BCADLO COC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029251 385440442 /nfs/dbraw/zinc/44/04/42/385440442.db2.gz HHWNTZBPKVDNPA-ZJUUUORDSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@H+]([C@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029251 385440446 /nfs/dbraw/zinc/44/04/46/385440446.db2.gz HHWNTZBPKVDNPA-ZJUUUORDSA-N 1 2 242.319 0.001 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000408062576 385441919 /nfs/dbraw/zinc/44/19/19/385441919.db2.gz NBTWSUXBJSRQLZ-SNVBAGLBSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000408062576 385441921 /nfs/dbraw/zinc/44/19/21/385441921.db2.gz NBTWSUXBJSRQLZ-SNVBAGLBSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1C1CC1 ZINC000364438656 385442871 /nfs/dbraw/zinc/44/28/71/385442871.db2.gz FCSRKNGWHVYYAF-LLVKDONJSA-N 1 2 248.330 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1C1CC1 ZINC000364438656 385442876 /nfs/dbraw/zinc/44/28/76/385442876.db2.gz FCSRKNGWHVYYAF-LLVKDONJSA-N 1 2 248.330 0.878 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@H]1CCNC1=O ZINC000179169638 385447651 /nfs/dbraw/zinc/44/76/51/385447651.db2.gz RLIHUOSAXLOWDZ-JTQLQIEISA-N 1 2 205.261 0.402 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@H]1CCNC1=O ZINC000179169638 385447654 /nfs/dbraw/zinc/44/76/54/385447654.db2.gz RLIHUOSAXLOWDZ-JTQLQIEISA-N 1 2 205.261 0.402 20 0 BCADLO C[C@H]1C[C@@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492845546 385449130 /nfs/dbraw/zinc/44/91/30/385449130.db2.gz YYGLFIJUSUWLCD-IKSRRIRTSA-N 1 2 235.287 0.795 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H](C)O ZINC000194830853 385450032 /nfs/dbraw/zinc/45/00/32/385450032.db2.gz NQTFHLSZVWIXLV-UTLUCORTSA-N 1 2 229.276 0.191 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000364457661 385451007 /nfs/dbraw/zinc/45/10/07/385451007.db2.gz FYVJPDIBKUEZOB-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000364457661 385451011 /nfs/dbraw/zinc/45/10/11/385451011.db2.gz FYVJPDIBKUEZOB-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000194951251 385453772 /nfs/dbraw/zinc/45/37/72/385453772.db2.gz YRWNGBBRKYWXMN-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000194951251 385453774 /nfs/dbraw/zinc/45/37/74/385453774.db2.gz YRWNGBBRKYWXMN-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ccccn1 ZINC000170928112 385455839 /nfs/dbraw/zinc/45/58/39/385455839.db2.gz AOMBHLNYCHAREA-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccccn1 ZINC000170928112 385455841 /nfs/dbraw/zinc/45/58/41/385455841.db2.gz AOMBHLNYCHAREA-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO CCN(CCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179277621 385456928 /nfs/dbraw/zinc/45/69/28/385456928.db2.gz XWJZRYCOZFAKTN-UHFFFAOYSA-N 1 2 233.271 0.789 20 0 BCADLO CC[N@H+](C/C=C/Cl)[C@H]1CCNC1=O ZINC000281514026 385435573 /nfs/dbraw/zinc/43/55/73/385435573.db2.gz AHANQPBXNIOYOA-WGAJWPLOSA-N 1 2 202.685 0.949 20 0 BCADLO CC[N@@H+](C/C=C/Cl)[C@H]1CCNC1=O ZINC000281514026 385435575 /nfs/dbraw/zinc/43/55/75/385435575.db2.gz AHANQPBXNIOYOA-WGAJWPLOSA-N 1 2 202.685 0.949 20 0 BCADLO c1[nH]c(CN2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000179524084 385472351 /nfs/dbraw/zinc/47/23/51/385472351.db2.gz URRDCPJMHQEIDB-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CC(F)F ZINC000309200174 385473866 /nfs/dbraw/zinc/47/38/66/385473866.db2.gz REELJAXIERDVBJ-MRVPVSSYSA-N 1 2 219.235 0.824 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)on1 ZINC000156911900 385474097 /nfs/dbraw/zinc/47/40/97/385474097.db2.gz YIWFQBKCUOCPBW-GHMZBOCLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)on1 ZINC000156911900 385474101 /nfs/dbraw/zinc/47/41/01/385474101.db2.gz YIWFQBKCUOCPBW-GHMZBOCLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179580824 385475623 /nfs/dbraw/zinc/47/56/23/385475623.db2.gz WBIGDIUXHXPOLH-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000179580824 385475625 /nfs/dbraw/zinc/47/56/25/385475625.db2.gz WBIGDIUXHXPOLH-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1ccc2[nH+]cc(CN3CCNC(=O)C3)n2c1 ZINC000179595638 385477423 /nfs/dbraw/zinc/47/74/23/385477423.db2.gz ARFUQMSUZJAUSU-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO COC(=O)[C@@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000179806159 385492249 /nfs/dbraw/zinc/49/22/49/385492249.db2.gz PZHURHDWKZZUHD-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000179806159 385492252 /nfs/dbraw/zinc/49/22/52/385492252.db2.gz PZHURHDWKZZUHD-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO COC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000171664301 385505814 /nfs/dbraw/zinc/50/58/14/385505814.db2.gz ICLAJNZMABNLMI-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO C[N@H+](Cc1ccon1)CC(C)(CO)CO ZINC000157498614 385506424 /nfs/dbraw/zinc/50/64/24/385506424.db2.gz SZOWKVCJIIBWRP-UHFFFAOYSA-N 1 2 214.265 0.097 20 0 BCADLO C[N@@H+](Cc1ccon1)CC(C)(CO)CO ZINC000157498614 385506427 /nfs/dbraw/zinc/50/64/27/385506427.db2.gz SZOWKVCJIIBWRP-UHFFFAOYSA-N 1 2 214.265 0.097 20 0 BCADLO CCOCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000106386511 385507392 /nfs/dbraw/zinc/50/73/92/385507392.db2.gz NXTAKSBTZSWFHK-LBPRGKRZSA-N 1 2 230.352 0.411 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@@H](C)O)oc1C ZINC000309278226 385508058 /nfs/dbraw/zinc/50/80/58/385508058.db2.gz FZECNONQORIEDL-MRVPVSSYSA-N 1 2 228.292 0.467 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@@H](C)O)oc1C ZINC000309278226 385508059 /nfs/dbraw/zinc/50/80/59/385508059.db2.gz FZECNONQORIEDL-MRVPVSSYSA-N 1 2 228.292 0.467 20 0 BCADLO CCN(CCS(C)(=O)=O)c1cc[nH+]c(C)n1 ZINC000157635036 385511235 /nfs/dbraw/zinc/51/12/35/385511235.db2.gz MUSAGKATSZMRIF-UHFFFAOYSA-N 1 2 243.332 0.656 20 0 BCADLO Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc[nH+]1 ZINC000644134725 385514975 /nfs/dbraw/zinc/51/49/75/385514975.db2.gz ZNWJTEDLEGIIEE-MYJAWHEDSA-N 1 2 205.261 0.460 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](CO)C1 ZINC000408063651 385517222 /nfs/dbraw/zinc/51/72/22/385517222.db2.gz RIGJZUUNUIUSRW-JTQLQIEISA-N 1 2 235.287 0.658 20 0 BCADLO CC(C)CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000334282760 385530299 /nfs/dbraw/zinc/53/02/99/385530299.db2.gz IIVHSVUULADSGV-LLVKDONJSA-N 1 2 248.392 0.998 20 0 BCADLO CC(C)CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000334282760 385530303 /nfs/dbraw/zinc/53/03/03/385530303.db2.gz IIVHSVUULADSGV-LLVKDONJSA-N 1 2 248.392 0.998 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cscn1 ZINC000171920871 385532392 /nfs/dbraw/zinc/53/23/92/385532392.db2.gz OIZUZSIGHQWDSG-UHFFFAOYSA-N 1 2 241.360 0.907 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493143854 385535117 /nfs/dbraw/zinc/53/51/17/385535117.db2.gz AEIIDXGMIHILSW-WTSVBCDHSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338870 385537958 /nfs/dbraw/zinc/53/79/58/385537958.db2.gz ZOPIUSQAYLAGPG-RKDXNWHRSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338870 385537963 /nfs/dbraw/zinc/53/79/63/385537963.db2.gz ZOPIUSQAYLAGPG-RKDXNWHRSA-N 1 2 232.349 0.503 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368801061 385545620 /nfs/dbraw/zinc/54/56/20/385545620.db2.gz VNWAAZNKYOWGQN-SECBINFHSA-N 1 2 237.303 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368801061 385545623 /nfs/dbraw/zinc/54/56/23/385545623.db2.gz VNWAAZNKYOWGQN-SECBINFHSA-N 1 2 237.303 0.979 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000364957231 385546927 /nfs/dbraw/zinc/54/69/27/385546927.db2.gz VSGGQCADDXGBMK-DLOVCJGASA-N 1 2 248.330 0.506 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000364957231 385546932 /nfs/dbraw/zinc/54/69/32/385546932.db2.gz VSGGQCADDXGBMK-DLOVCJGASA-N 1 2 248.330 0.506 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000180802310 385548122 /nfs/dbraw/zinc/54/81/22/385548122.db2.gz PNOYZRHASVKROG-UHFFFAOYSA-N 1 2 224.308 0.887 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000180802310 385548124 /nfs/dbraw/zinc/54/81/24/385548124.db2.gz PNOYZRHASVKROG-UHFFFAOYSA-N 1 2 224.308 0.887 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000408155259 385574177 /nfs/dbraw/zinc/57/41/77/385574177.db2.gz QCJRBYCSQVCUCA-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OC ZINC000309413238 385574178 /nfs/dbraw/zinc/57/41/78/385574178.db2.gz CCVCUTCFPBPCIP-UTLUCORTSA-N 1 2 231.292 0.332 20 0 BCADLO COC(=O)[C@](C)([NH2+]CC[C@H](C)O)C1CC1 ZINC000591022508 385551230 /nfs/dbraw/zinc/55/12/30/385551230.db2.gz ITEVJFZFMYSZBT-GZMMTYOYSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CC[C@@H](C)O)C1CC1 ZINC000591022509 385552043 /nfs/dbraw/zinc/55/20/43/385552043.db2.gz ITEVJFZFMYSZBT-KCJUWKMLSA-N 1 2 215.293 0.689 20 0 BCADLO CC(C)n1ccnc1C[NH2+]C1(C(N)=O)CC1 ZINC000309372243 385554306 /nfs/dbraw/zinc/55/43/06/385554306.db2.gz QRQAYUVIQNWQPQ-UHFFFAOYSA-N 1 2 222.292 0.572 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cscn1 ZINC000334459653 385555046 /nfs/dbraw/zinc/55/50/46/385555046.db2.gz MADYTDVPNZASCG-NXEZZACHSA-N 1 2 237.328 0.854 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cscn1 ZINC000334459653 385555049 /nfs/dbraw/zinc/55/50/49/385555049.db2.gz MADYTDVPNZASCG-NXEZZACHSA-N 1 2 237.328 0.854 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334455164 385555559 /nfs/dbraw/zinc/55/55/59/385555559.db2.gz NUBNRMQJQFXEQK-HZGVNTEJSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(F)C1 ZINC000334455164 385555564 /nfs/dbraw/zinc/55/55/64/385555564.db2.gz NUBNRMQJQFXEQK-HZGVNTEJSA-N 1 2 217.244 0.004 20 0 BCADLO CCC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000309463311 385593333 /nfs/dbraw/zinc/59/33/33/385593333.db2.gz VEKNPMXLRCKQPV-UHFFFAOYSA-N 1 2 226.320 0.313 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ncc(F)cn1 ZINC000269531593 385604870 /nfs/dbraw/zinc/60/48/70/385604870.db2.gz YUTWSLPDBVHAJR-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309436859 385578807 /nfs/dbraw/zinc/57/88/07/385578807.db2.gz HLDBGEQJVPXZAG-HTQZYQBOSA-N 1 2 228.292 0.195 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CC(=O)N1 ZINC000408161523 385580590 /nfs/dbraw/zinc/58/05/90/385580590.db2.gz NCEMGDPFYIHPPR-HTQZYQBOSA-N 1 2 249.270 0.062 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181555216 385584056 /nfs/dbraw/zinc/58/40/56/385584056.db2.gz SBCNRBJGOOKHHY-WCQYABFASA-N 1 2 248.326 0.804 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181555216 385584057 /nfs/dbraw/zinc/58/40/57/385584057.db2.gz SBCNRBJGOOKHHY-WCQYABFASA-N 1 2 248.326 0.804 20 0 BCADLO Nc1c(NCCCO)[nH+]cnc1-n1cccn1 ZINC000269606043 385614080 /nfs/dbraw/zinc/61/40/80/385614080.db2.gz IYZSBKKMDOEGPW-UHFFFAOYSA-N 1 2 234.263 0.039 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280897267 385614643 /nfs/dbraw/zinc/61/46/43/385614643.db2.gz HHQDUYBVBCHCDY-WCABBAIRSA-N 1 2 236.319 0.547 20 0 BCADLO O=C1CCC[C@H]1[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000365161342 385621345 /nfs/dbraw/zinc/62/13/45/385621345.db2.gz UYZPTYDBMBBJLE-NWDGAFQWSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@H]1[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000365161342 385621351 /nfs/dbraw/zinc/62/13/51/385621351.db2.gz UYZPTYDBMBBJLE-NWDGAFQWSA-N 1 2 249.314 0.980 20 0 BCADLO c1ccc(N2CC[NH+](CC3OCCO3)CC2)nc1 ZINC000182014057 385631068 /nfs/dbraw/zinc/63/10/68/385631068.db2.gz JNDPOIFFAZASQT-UHFFFAOYSA-N 1 2 249.314 0.577 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000595505280 385631623 /nfs/dbraw/zinc/63/16/23/385631623.db2.gz PQCINGUPOKFKTI-KXUCPTDWSA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000595505280 385631626 /nfs/dbraw/zinc/63/16/26/385631626.db2.gz PQCINGUPOKFKTI-KXUCPTDWSA-N 1 2 243.303 0.821 20 0 BCADLO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000647711191 385607315 /nfs/dbraw/zinc/60/73/15/385607315.db2.gz WOFWRXGIHIDDKL-VHSXEESVSA-N 1 2 248.330 0.650 20 0 BCADLO Cn1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)nn1 ZINC000309482967 385607636 /nfs/dbraw/zinc/60/76/36/385607636.db2.gz FFBIRBBCMKBAQQ-ZETCQYMHSA-N 1 2 238.213 0.218 20 0 BCADLO Cc1nnccc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000269903356 385645157 /nfs/dbraw/zinc/64/51/57/385645157.db2.gz IAZGPVPUNSMBHN-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO C[N@H+](Cc1cncs1)[C@@H]1COC[C@@H]1O ZINC000307000331 385649754 /nfs/dbraw/zinc/64/97/54/385649754.db2.gz AGKNKQAZJVXGLI-BDAKNGLRSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@@H]1COC[C@@H]1O ZINC000307000331 385649757 /nfs/dbraw/zinc/64/97/57/385649757.db2.gz AGKNKQAZJVXGLI-BDAKNGLRSA-N 1 2 214.290 0.335 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000337432712 385657586 /nfs/dbraw/zinc/65/75/86/385657586.db2.gz ZRLMPNXQBYCVAK-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000337432712 385657590 /nfs/dbraw/zinc/65/75/90/385657590.db2.gz ZRLMPNXQBYCVAK-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293580785 385658957 /nfs/dbraw/zinc/65/89/57/385658957.db2.gz ASADJTWUCHXGEI-VHSXEESVSA-N 1 2 236.319 0.957 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000337445304 385663463 /nfs/dbraw/zinc/66/34/63/385663463.db2.gz BWTCPSCLQDUNTC-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000337445304 385663467 /nfs/dbraw/zinc/66/34/67/385663467.db2.gz BWTCPSCLQDUNTC-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000337445304 385663471 /nfs/dbraw/zinc/66/34/71/385663471.db2.gz BWTCPSCLQDUNTC-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCO[C@H](C)C1 ZINC000337445304 385663473 /nfs/dbraw/zinc/66/34/73/385663473.db2.gz BWTCPSCLQDUNTC-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@](C)(O)C1CC1 ZINC000270149441 385675425 /nfs/dbraw/zinc/67/54/25/385675425.db2.gz HNVRZNKNURXAED-GFCCVEGCSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2nncn2C)c[nH+]1 ZINC000270133176 385676075 /nfs/dbraw/zinc/67/60/75/385676075.db2.gz TUGYTCFEFSSFRA-LURJTMIESA-N 1 2 234.263 0.338 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337472986 385677411 /nfs/dbraw/zinc/67/74/11/385677411.db2.gz WQFAUCWXOKDSQW-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@H](F)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337472986 385677421 /nfs/dbraw/zinc/67/74/21/385677421.db2.gz WQFAUCWXOKDSQW-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000337470818 385677813 /nfs/dbraw/zinc/67/78/13/385677813.db2.gz VGAVEHOSHUQAQW-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000337470818 385677819 /nfs/dbraw/zinc/67/78/19/385677819.db2.gz VGAVEHOSHUQAQW-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCOC1 ZINC000337480194 385679646 /nfs/dbraw/zinc/67/96/46/385679646.db2.gz WFQMMMGWOJYUDQ-VIFPVBQESA-N 1 2 209.249 0.178 20 0 BCADLO C[N@H+](CCCO)Cc1nnnn1-c1ccccc1 ZINC000281605503 385686581 /nfs/dbraw/zinc/68/65/81/385686581.db2.gz GODVHSCVZDHJFE-UHFFFAOYSA-N 1 2 247.302 0.477 20 0 BCADLO C[N@@H+](CCCO)Cc1nnnn1-c1ccccc1 ZINC000281605503 385686585 /nfs/dbraw/zinc/68/65/85/385686585.db2.gz GODVHSCVZDHJFE-UHFFFAOYSA-N 1 2 247.302 0.477 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccon1 ZINC000309553761 385686713 /nfs/dbraw/zinc/68/67/13/385686713.db2.gz JAMWJBASRBAEPX-WPRPVWTQSA-N 1 2 223.276 0.994 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1O ZINC000281651336 385690636 /nfs/dbraw/zinc/69/06/36/385690636.db2.gz RMGKOFLIBHDBCP-GHMZBOCLSA-N 1 2 237.303 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000281651336 385690643 /nfs/dbraw/zinc/69/06/43/385690643.db2.gz RMGKOFLIBHDBCP-GHMZBOCLSA-N 1 2 237.303 0.762 20 0 BCADLO C[C@@H]([NH2+]Cc1nsc(N(C)C)n1)[C@H](C)CO ZINC000309563550 385693989 /nfs/dbraw/zinc/69/39/89/385693989.db2.gz LSLMRVZJGNSELM-HTQZYQBOSA-N 1 2 244.364 0.711 20 0 BCADLO C[C@H](CO)[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC000309563552 385695281 /nfs/dbraw/zinc/69/52/81/385695281.db2.gz LSLMRVZJGNSELM-SFYZADRCSA-N 1 2 244.364 0.711 20 0 BCADLO C[C@H](CNC(=O)c1cn(C)cn1)Cn1cc[nH+]c1 ZINC000270338234 385698855 /nfs/dbraw/zinc/69/88/55/385698855.db2.gz PLMUDVSFDNUPCK-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@]1(C)CCOC1 ZINC000270352203 385700806 /nfs/dbraw/zinc/70/08/06/385700806.db2.gz PZNRBCALEBLPGB-LLVKDONJSA-N 1 2 238.291 0.398 20 0 BCADLO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCOCC2)C1 ZINC000270373618 385701439 /nfs/dbraw/zinc/70/14/39/385701439.db2.gz BZMKKYKEZBGZSM-SNVBAGLBSA-N 1 2 241.287 0.555 20 0 BCADLO CCc1ccc([C@H](COC)[NH2+]CC(N)=O)o1 ZINC000184812399 385713457 /nfs/dbraw/zinc/71/34/57/385713457.db2.gz PCZYWKZZUNCUKA-VIFPVBQESA-N 1 2 226.276 0.604 20 0 BCADLO COC[C@H](C)[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307212885 385667723 /nfs/dbraw/zinc/66/77/23/385667723.db2.gz WHYSUQJTEHCDHH-IGJMFERPSA-N 1 2 205.323 0.474 20 0 BCADLO COC[C@H](C)[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307212885 385667727 /nfs/dbraw/zinc/66/77/27/385667727.db2.gz WHYSUQJTEHCDHH-IGJMFERPSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2nncn2C)CCO1 ZINC000188207673 385668495 /nfs/dbraw/zinc/66/84/95/385668495.db2.gz MIALLAHGNFRQSU-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2nncn2C)CCO1 ZINC000188207673 385668501 /nfs/dbraw/zinc/66/85/01/385668501.db2.gz MIALLAHGNFRQSU-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1nncn1C ZINC000188207489 385669746 /nfs/dbraw/zinc/66/97/46/385669746.db2.gz VUPBKOVFRZTKKD-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1nncn1C ZINC000188207489 385669753 /nfs/dbraw/zinc/66/97/53/385669753.db2.gz VUPBKOVFRZTKKD-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO COCc1nc(C[N@H+](C)CCC(N)=O)cs1 ZINC000353195613 385670251 /nfs/dbraw/zinc/67/02/51/385670251.db2.gz RJRLKSNGHSEUCQ-UHFFFAOYSA-N 1 2 243.332 0.597 20 0 BCADLO COCc1nc(C[N@@H+](C)CCC(N)=O)cs1 ZINC000353195613 385670253 /nfs/dbraw/zinc/67/02/53/385670253.db2.gz RJRLKSNGHSEUCQ-UHFFFAOYSA-N 1 2 243.332 0.597 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@](C)(O)C1CC1 ZINC000270098599 385670329 /nfs/dbraw/zinc/67/03/29/385670329.db2.gz YZOIKUKIASSEJW-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000270735475 385736175 /nfs/dbraw/zinc/73/61/75/385736175.db2.gz OSAMGEDHMJFJTI-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ncc(C)o1 ZINC000282207486 385741249 /nfs/dbraw/zinc/74/12/49/385741249.db2.gz XUDLRPMNFPDWFT-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ncc(C)o1 ZINC000282207486 385741252 /nfs/dbraw/zinc/74/12/52/385741252.db2.gz XUDLRPMNFPDWFT-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000282251244 385745140 /nfs/dbraw/zinc/74/51/40/385745140.db2.gz BELVMXNCMDCDJO-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000282251244 385745145 /nfs/dbraw/zinc/74/51/45/385745145.db2.gz BELVMXNCMDCDJO-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCOCCO)no1 ZINC000309620020 385751210 /nfs/dbraw/zinc/75/12/10/385751210.db2.gz CZNFBJOAZMZCRS-UHFFFAOYSA-N 1 2 229.280 0.212 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)CC(C)C)C[NH2+]1 ZINC000365776908 385762553 /nfs/dbraw/zinc/76/25/53/385762553.db2.gz DWFLZZFCWIYMBH-DTWKUNHWSA-N 1 2 228.292 0.052 20 0 BCADLO Cn1cc(CC[N@@H+]2CC(=O)NCC2(C)C)cn1 ZINC000282459527 385764312 /nfs/dbraw/zinc/76/43/12/385764312.db2.gz FVNUMVVAFVGWBO-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO Cn1cc(CC[N@H+]2CC(=O)NCC2(C)C)cn1 ZINC000282459527 385764315 /nfs/dbraw/zinc/76/43/15/385764315.db2.gz FVNUMVVAFVGWBO-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO COCC[C@@]1([NH2+]Cc2csnn2)CCOC1 ZINC000309644642 385768541 /nfs/dbraw/zinc/76/85/41/385768541.db2.gz LWYPFXULVOLLID-SNVBAGLBSA-N 1 2 243.332 0.823 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC(CO)CC1 ZINC000271028205 385772445 /nfs/dbraw/zinc/77/24/45/385772445.db2.gz FQODVDJSNJVYMC-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO CC[N@H+](C[C@H](O)C(F)(F)F)C1COC1 ZINC000451288935 385773741 /nfs/dbraw/zinc/77/37/41/385773741.db2.gz UKZDLYJLUYZXKL-ZETCQYMHSA-N 1 2 213.199 0.630 20 0 BCADLO CC[N@@H+](C[C@H](O)C(F)(F)F)C1COC1 ZINC000451288935 385773744 /nfs/dbraw/zinc/77/37/44/385773744.db2.gz UKZDLYJLUYZXKL-ZETCQYMHSA-N 1 2 213.199 0.630 20 0 BCADLO COCC[C@@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000309663200 385773873 /nfs/dbraw/zinc/77/38/73/385773873.db2.gz SDKJUMZIIXNXIK-LLVKDONJSA-N 1 2 225.292 0.695 20 0 BCADLO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccon1 ZINC000309663531 385774237 /nfs/dbraw/zinc/77/42/37/385774237.db2.gz SGGLGFBPHAVFLA-XCBNKYQSSA-N 1 2 228.248 0.249 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(CO)o1 ZINC000271033989 385774349 /nfs/dbraw/zinc/77/43/49/385774349.db2.gz JCRHEEVLUZTSBQ-UHFFFAOYSA-N 1 2 238.287 0.482 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(CO)o1 ZINC000271033989 385774356 /nfs/dbraw/zinc/77/43/56/385774356.db2.gz JCRHEEVLUZTSBQ-UHFFFAOYSA-N 1 2 238.287 0.482 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)CC2CCC2)C[NH2+]1 ZINC000365787611 385778305 /nfs/dbraw/zinc/77/83/05/385778305.db2.gz QMPZHRJSTYCVCQ-VHSXEESVSA-N 1 2 240.303 0.196 20 0 BCADLO CC(C)c1nc([C@@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000270599116 385722383 /nfs/dbraw/zinc/72/23/83/385722383.db2.gz CTTQPKGWVKYNDE-MRVPVSSYSA-N 1 2 239.323 0.667 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000185241843 385726954 /nfs/dbraw/zinc/72/69/54/385726954.db2.gz LIDREZIYNJDERG-SECBINFHSA-N 1 2 240.307 0.340 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000185241843 385726957 /nfs/dbraw/zinc/72/69/57/385726957.db2.gz LIDREZIYNJDERG-SECBINFHSA-N 1 2 240.307 0.340 20 0 BCADLO CC[N@H+](CCOCCO)Cc1cc(C)on1 ZINC000282051048 385726874 /nfs/dbraw/zinc/72/68/74/385726874.db2.gz LZWJXSPWFRSPAJ-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1cc(C)on1 ZINC000282051048 385726877 /nfs/dbraw/zinc/72/68/77/385726877.db2.gz LZWJXSPWFRSPAJ-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO Cc1nc(N2CCC(=O)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000408383508 385799285 /nfs/dbraw/zinc/79/92/85/385799285.db2.gz BRZPJEONQNQEDY-MRVPVSSYSA-N 1 2 249.318 0.661 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC(=O)[C@H](C)C2)[nH+]1 ZINC000408383508 385799292 /nfs/dbraw/zinc/79/92/92/385799292.db2.gz BRZPJEONQNQEDY-MRVPVSSYSA-N 1 2 249.318 0.661 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccon1 ZINC000336740216 385799906 /nfs/dbraw/zinc/79/99/06/385799906.db2.gz MFIOEVGYLUCMDQ-QMMMGPOBSA-N 1 2 223.276 0.946 20 0 BCADLO C[NH+](C)[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331640613 385806122 /nfs/dbraw/zinc/80/61/22/385806122.db2.gz NBMUAODBBYNKOT-VIFPVBQESA-N 1 2 239.323 0.426 20 0 BCADLO C[C@H]1C[N@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000186889464 385808620 /nfs/dbraw/zinc/80/86/20/385808620.db2.gz XIXTVJQPLJLUMN-IUCAKERBSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000186889464 385808622 /nfs/dbraw/zinc/80/86/22/385808622.db2.gz XIXTVJQPLJLUMN-IUCAKERBSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000186889452 385808744 /nfs/dbraw/zinc/80/87/44/385808744.db2.gz XIXTVJQPLJLUMN-BDAKNGLRSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000186889452 385808752 /nfs/dbraw/zinc/80/87/52/385808752.db2.gz XIXTVJQPLJLUMN-BDAKNGLRSA-N 1 2 222.292 0.262 20 0 BCADLO CCOCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186954456 385818025 /nfs/dbraw/zinc/81/80/25/385818025.db2.gz FMDRIQYBWPKJGL-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186954456 385818028 /nfs/dbraw/zinc/81/80/28/385818028.db2.gz FMDRIQYBWPKJGL-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCOC1 ZINC000644835135 385822446 /nfs/dbraw/zinc/82/24/46/385822446.db2.gz YQVWNPOWNVDMNF-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1[nH+]ccn1C ZINC000187027371 385825664 /nfs/dbraw/zinc/82/56/64/385825664.db2.gz LJQLXMZMCCCBJZ-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO CCN(CC(=O)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283649039 385826850 /nfs/dbraw/zinc/82/68/50/385826850.db2.gz CWAPJBWRERQSMF-SNAWJCMRSA-N 1 2 237.259 0.444 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000365878291 385829166 /nfs/dbraw/zinc/82/91/66/385829166.db2.gz BUMLUBRKWYAFDK-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000365878291 385829174 /nfs/dbraw/zinc/82/91/74/385829174.db2.gz BUMLUBRKWYAFDK-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000052709595 385830656 /nfs/dbraw/zinc/83/06/56/385830656.db2.gz ZQJDMHQUSJGEAB-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414569994 385833933 /nfs/dbraw/zinc/83/39/33/385833933.db2.gz IXXHTSAEMQUFBQ-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414569994 385833938 /nfs/dbraw/zinc/83/39/38/385833938.db2.gz IXXHTSAEMQUFBQ-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc[nH]n1 ZINC000271633563 385841155 /nfs/dbraw/zinc/84/11/55/385841155.db2.gz PRTUWODLRNBZQK-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc[nH]n1 ZINC000271633563 385841159 /nfs/dbraw/zinc/84/11/59/385841159.db2.gz PRTUWODLRNBZQK-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc[nH]n1 ZINC000271633563 385841161 /nfs/dbraw/zinc/84/11/61/385841161.db2.gz PRTUWODLRNBZQK-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283965665 385843778 /nfs/dbraw/zinc/84/37/78/385843778.db2.gz MAIFOCKGELIEAE-MPJRPATESA-N 1 2 237.259 0.348 20 0 BCADLO C[C@@H](O)CNc1cc(NCCCO)[nH+]cn1 ZINC000294407642 385846640 /nfs/dbraw/zinc/84/66/40/385846640.db2.gz NPPVALWFQIFHJF-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO C[C@@H](O)CNc1cc(NCCCO)nc[nH+]1 ZINC000294407642 385846643 /nfs/dbraw/zinc/84/66/43/385846643.db2.gz NPPVALWFQIFHJF-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000284040997 385847205 /nfs/dbraw/zinc/84/72/05/385847205.db2.gz PVSFQXDNNHEQGT-ALWPCLGOSA-N 1 2 235.287 0.700 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000260177326 385790584 /nfs/dbraw/zinc/79/05/84/385790584.db2.gz UCTFYISKCFDNGK-MRVPVSSYSA-N 1 2 210.233 0.670 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000260177326 385790587 /nfs/dbraw/zinc/79/05/87/385790587.db2.gz UCTFYISKCFDNGK-MRVPVSSYSA-N 1 2 210.233 0.670 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CC=C(C)CC1)[C@H](C)O ZINC000294711709 385885787 /nfs/dbraw/zinc/88/57/87/385885787.db2.gz OTKJQADSVJWZFQ-GARJFASQSA-N 1 2 227.304 0.997 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000284812313 385887521 /nfs/dbraw/zinc/88/75/21/385887521.db2.gz XDKGQATVVGAWRW-NEPJUHHUSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000284812313 385887526 /nfs/dbraw/zinc/88/75/26/385887526.db2.gz XDKGQATVVGAWRW-NEPJUHHUSA-N 1 2 249.314 0.560 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc[nH]1 ZINC000284838104 385887809 /nfs/dbraw/zinc/88/78/09/385887809.db2.gz BWBXBTXLCWNUQJ-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000284838104 385887813 /nfs/dbraw/zinc/88/78/13/385887813.db2.gz BWBXBTXLCWNUQJ-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO CN(Cc1[nH+]ccn1C)CC1OCCO1 ZINC000272317517 385893568 /nfs/dbraw/zinc/89/35/68/385893568.db2.gz XVYLXAKZCHUKJQ-UHFFFAOYSA-N 1 2 211.265 0.225 20 0 BCADLO CC(C)CCS(=O)(=O)NCc1[nH+]ccn1C ZINC000272323976 385893636 /nfs/dbraw/zinc/89/36/36/385893636.db2.gz BOFSUAHDNKPDAG-UHFFFAOYSA-N 1 2 245.348 0.886 20 0 BCADLO c1nc(N2CCCC2)c2c([nH+]1)NCCO2 ZINC000647844658 385894662 /nfs/dbraw/zinc/89/46/62/385894662.db2.gz PVIYJKMVOOEFAY-UHFFFAOYSA-N 1 2 206.249 0.881 20 0 BCADLO c1nc2c(c(N3CCCC3)[nH+]1)OCCN2 ZINC000647844658 385894664 /nfs/dbraw/zinc/89/46/64/385894664.db2.gz PVIYJKMVOOEFAY-UHFFFAOYSA-N 1 2 206.249 0.881 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C(F)F ZINC000338121075 385900034 /nfs/dbraw/zinc/90/00/34/385900034.db2.gz OYILVOKMUOQJAL-RQJHMYQMSA-N 1 2 229.230 0.938 20 0 BCADLO CC[C@@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000308868978 385902296 /nfs/dbraw/zinc/90/22/96/385902296.db2.gz MCRWSJLDDOSOMM-ZETCQYMHSA-N 1 2 211.269 0.599 20 0 BCADLO CC[C@@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000308868978 385902298 /nfs/dbraw/zinc/90/22/98/385902298.db2.gz MCRWSJLDDOSOMM-ZETCQYMHSA-N 1 2 211.269 0.599 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000366640585 385902649 /nfs/dbraw/zinc/90/26/49/385902649.db2.gz LCFJWMLBXUGNRD-QMMMGPOBSA-N 1 2 225.317 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000366640585 385902654 /nfs/dbraw/zinc/90/26/54/385902654.db2.gz LCFJWMLBXUGNRD-QMMMGPOBSA-N 1 2 225.317 0.803 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@@H](C)CO ZINC000285179548 385904562 /nfs/dbraw/zinc/90/45/62/385904562.db2.gz DBNRWVJPXROJFO-ZETCQYMHSA-N 1 2 228.248 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@@H](C)CO ZINC000285179548 385904568 /nfs/dbraw/zinc/90/45/68/385904568.db2.gz DBNRWVJPXROJFO-ZETCQYMHSA-N 1 2 228.248 0.274 20 0 BCADLO Cn1[nH]cnc1=NCCc1cn2ccccc2[nH+]1 ZINC000647853416 385905056 /nfs/dbraw/zinc/90/50/56/385905056.db2.gz SQLBNRWLUUKRJG-UHFFFAOYSA-N 1 2 242.286 0.539 20 0 BCADLO C[C@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000647854085 385908241 /nfs/dbraw/zinc/90/82/41/385908241.db2.gz YCZKLGKOPDFCAK-ZCFIWIBFSA-N 1 2 210.237 0.074 20 0 BCADLO C[C@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000647854085 385908245 /nfs/dbraw/zinc/90/82/45/385908245.db2.gz YCZKLGKOPDFCAK-ZCFIWIBFSA-N 1 2 210.237 0.074 20 0 BCADLO Cc1nc(NC[C@H]2CCCO2)nc(N)[nH+]1 ZINC000308907483 385908608 /nfs/dbraw/zinc/90/86/08/385908608.db2.gz VVMTYIROTKMKRV-SSDOTTSWSA-N 1 2 209.253 0.353 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCO2)[nH+]1 ZINC000308907483 385908611 /nfs/dbraw/zinc/90/86/11/385908611.db2.gz VVMTYIROTKMKRV-SSDOTTSWSA-N 1 2 209.253 0.353 20 0 BCADLO OC[C@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000647860066 385914676 /nfs/dbraw/zinc/91/46/76/385914676.db2.gz NICFRKJHQKEEFG-MRVPVSSYSA-N 1 2 236.275 0.242 20 0 BCADLO OC[C@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000647860066 385914684 /nfs/dbraw/zinc/91/46/84/385914684.db2.gz NICFRKJHQKEEFG-MRVPVSSYSA-N 1 2 236.275 0.242 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1C ZINC000272595252 385915129 /nfs/dbraw/zinc/91/51/29/385915129.db2.gz PZGQYPBXEVCNLK-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336767809 385929855 /nfs/dbraw/zinc/92/98/55/385929855.db2.gz SRZSFXJTSISISG-HRDYMLBCSA-N 1 2 212.297 0.889 20 0 BCADLO COC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000272651326 385920104 /nfs/dbraw/zinc/92/01/04/385920104.db2.gz FBTSWKJWENDSRV-QMMMGPOBSA-N 1 2 227.264 0.109 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1ccnn1C ZINC000284280162 385859475 /nfs/dbraw/zinc/85/94/75/385859475.db2.gz FHYGXVIBHSHIBW-NSHDSACASA-N 1 2 236.319 0.173 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1ccnn1C ZINC000284280162 385859482 /nfs/dbraw/zinc/85/94/82/385859482.db2.gz FHYGXVIBHSHIBW-NSHDSACASA-N 1 2 236.319 0.173 20 0 BCADLO CCN(CCO)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294511879 385860545 /nfs/dbraw/zinc/86/05/45/385860545.db2.gz UDQDUOWHKMIYPY-SECBINFHSA-N 1 2 240.307 0.088 20 0 BCADLO CCN(CCO)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294511879 385860551 /nfs/dbraw/zinc/86/05/51/385860551.db2.gz UDQDUOWHKMIYPY-SECBINFHSA-N 1 2 240.307 0.088 20 0 BCADLO C[C@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284358236 385864398 /nfs/dbraw/zinc/86/43/98/385864398.db2.gz KNCDNWOYNJDOAU-UFUPEUMYSA-N 1 2 209.249 0.310 20 0 BCADLO COC(=O)C[N@H+](CCc1ccnn1C)C1CC1 ZINC000284424617 385867915 /nfs/dbraw/zinc/86/79/15/385867915.db2.gz OWOPDNAGYCUISN-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO COC(=O)C[N@@H+](CCc1ccnn1C)C1CC1 ZINC000284424617 385867917 /nfs/dbraw/zinc/86/79/17/385867917.db2.gz OWOPDNAGYCUISN-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000340191931 385872743 /nfs/dbraw/zinc/87/27/43/385872743.db2.gz JVJQRVPIQSDFKE-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO CCC[C@@](C)([NH2+]CCC(=O)OC)C(=O)OC ZINC000336738418 385875602 /nfs/dbraw/zinc/87/56/02/385875602.db2.gz OFWVBIMGTGFQAJ-LLVKDONJSA-N 1 2 231.292 0.871 20 0 BCADLO C[C@@H](CO)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284554378 385875738 /nfs/dbraw/zinc/87/57/38/385875738.db2.gz XWEYEVBJCHVGHP-ORAHPGNNSA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)(C)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647940600 385877345 /nfs/dbraw/zinc/87/73/45/385877345.db2.gz JQLSDCXUXYESHV-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285459834 385928172 /nfs/dbraw/zinc/92/81/72/385928172.db2.gz JRZHASDAGVMAAP-MRVPVSSYSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285459834 385928178 /nfs/dbraw/zinc/92/81/78/385928178.db2.gz JRZHASDAGVMAAP-MRVPVSSYSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@@H](C(=O)N(C)CC1CC1)[NH+]1CCN(C)CC1 ZINC000338045106 385880874 /nfs/dbraw/zinc/88/08/74/385880874.db2.gz XAVNELICJYGIOM-NSHDSACASA-N 1 2 239.363 0.491 20 0 BCADLO C[C@H](O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000272176325 385881768 /nfs/dbraw/zinc/88/17/68/385881768.db2.gz HIAXQRZIVUWUHE-QMMMGPOBSA-N 1 2 219.244 0.331 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000338031692 385882803 /nfs/dbraw/zinc/88/28/03/385882803.db2.gz WPUDFLWIOQBKEX-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000338031692 385882807 /nfs/dbraw/zinc/88/28/07/385882807.db2.gz WPUDFLWIOQBKEX-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000285892006 385975197 /nfs/dbraw/zinc/97/51/97/385975197.db2.gz DCMKNTWXEYTTER-AOOOYVTPSA-N 1 2 223.276 0.519 20 0 BCADLO CNS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285895249 385976347 /nfs/dbraw/zinc/97/63/47/385976347.db2.gz GLVOOWGOINPNNO-QMMMGPOBSA-N 1 2 244.320 0.401 20 0 BCADLO CCOC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000338355376 385976701 /nfs/dbraw/zinc/97/67/01/385976701.db2.gz VOEADMGCJSMTAJ-SNVBAGLBSA-N 1 2 247.335 0.705 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCC(C)(C)O)CCOC1 ZINC000336769466 385982261 /nfs/dbraw/zinc/98/22/61/385982261.db2.gz SBXGZIAQUDXGQH-LLVKDONJSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373444 385982789 /nfs/dbraw/zinc/98/27/89/385982789.db2.gz XJBJBDGRGIGZCI-OUAUKWLOSA-N 1 2 241.287 0.038 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373444 385982792 /nfs/dbraw/zinc/98/27/92/385982792.db2.gz XJBJBDGRGIGZCI-OUAUKWLOSA-N 1 2 241.287 0.038 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnnn1C1CC1 ZINC000128416311 385983004 /nfs/dbraw/zinc/98/30/04/385983004.db2.gz CWBWKACBRWYGEP-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000128416311 385983012 /nfs/dbraw/zinc/98/30/12/385983012.db2.gz CWBWKACBRWYGEP-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000340218215 385983527 /nfs/dbraw/zinc/98/35/27/385983527.db2.gz GBBJGANADCUAAV-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000340218215 385983534 /nfs/dbraw/zinc/98/35/34/385983534.db2.gz GBBJGANADCUAAV-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO COC(=O)[C@]1([NH2+]CCCSC)CCOC1 ZINC000336748398 385984636 /nfs/dbraw/zinc/98/46/36/385984636.db2.gz CMVPPTLRHAGILF-JTQLQIEISA-N 1 2 233.333 0.661 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1C ZINC000189363889 385987875 /nfs/dbraw/zinc/98/78/75/385987875.db2.gz YFXWPRARBOPWQV-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1C ZINC000189363889 385987884 /nfs/dbraw/zinc/98/78/84/385987884.db2.gz YFXWPRARBOPWQV-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@H]1CO ZINC000286058277 385990268 /nfs/dbraw/zinc/99/02/68/385990268.db2.gz RNTWHRSQEXCYNW-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@H]1CO ZINC000286058277 385990274 /nfs/dbraw/zinc/99/02/74/385990274.db2.gz RNTWHRSQEXCYNW-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nccn1C(F)F ZINC000338391307 385991307 /nfs/dbraw/zinc/99/13/07/385991307.db2.gz DGWXHHHIHRDARP-UHFFFAOYSA-N 1 2 232.234 0.585 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nccn1C(F)F ZINC000338391307 385991313 /nfs/dbraw/zinc/99/13/13/385991313.db2.gz DGWXHHHIHRDARP-UHFFFAOYSA-N 1 2 232.234 0.585 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000286057019 385991265 /nfs/dbraw/zinc/99/12/65/385991265.db2.gz RIIXIRZLEZYSIR-JGVFFNPUSA-N 1 2 237.259 0.225 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cc(C)cn1 ZINC000342121496 385931572 /nfs/dbraw/zinc/93/15/72/385931572.db2.gz FOGHQVRNRUMWBX-SNVBAGLBSA-N 1 2 225.292 0.685 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1cc(C)cn1 ZINC000342121496 385931578 /nfs/dbraw/zinc/93/15/78/385931578.db2.gz FOGHQVRNRUMWBX-SNVBAGLBSA-N 1 2 225.292 0.685 20 0 BCADLO Cc1[nH]c(C(=O)NCCOC(C)C)c[nH+]1 ZINC000273354947 385993093 /nfs/dbraw/zinc/99/30/93/385993093.db2.gz ZETCDLXHHLTLCD-UHFFFAOYSA-N 1 2 211.265 0.873 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](O)C2)s1 ZINC000338269697 385935774 /nfs/dbraw/zinc/93/57/74/385935774.db2.gz COCQEWITTUMVTN-XPUUQOCRSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](O)C2)s1 ZINC000338269697 385935779 /nfs/dbraw/zinc/93/57/79/385935779.db2.gz COCQEWITTUMVTN-XPUUQOCRSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000294991724 385938237 /nfs/dbraw/zinc/93/82/37/385938237.db2.gz YDSGKSULAMHRML-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cnccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000294991724 385938245 /nfs/dbraw/zinc/93/82/45/385938245.db2.gz YDSGKSULAMHRML-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO O=C(C1CC1)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000338286998 385941905 /nfs/dbraw/zinc/94/19/05/385941905.db2.gz ZVXOYBZFLVYFST-NSHDSACASA-N 1 2 235.287 0.590 20 0 BCADLO O=C(C1CC1)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000338286998 385941916 /nfs/dbraw/zinc/94/19/16/385941916.db2.gz ZVXOYBZFLVYFST-NSHDSACASA-N 1 2 235.287 0.590 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000425417221 385993284 /nfs/dbraw/zinc/99/32/84/385993284.db2.gz JTTRZBAQZMMYBZ-RVBZMBCESA-N 1 2 205.323 0.210 20 0 BCADLO C[C@H](O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000425417221 385993290 /nfs/dbraw/zinc/99/32/90/385993290.db2.gz JTTRZBAQZMMYBZ-RVBZMBCESA-N 1 2 205.323 0.210 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@@H]2O)nc[nH+]1 ZINC000309035924 385942933 /nfs/dbraw/zinc/94/29/33/385942933.db2.gz IBWGPUKQTLDPRQ-BDAKNGLRSA-N 1 2 209.249 0.211 20 0 BCADLO O=C(C1CC1)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000338286997 385942943 /nfs/dbraw/zinc/94/29/43/385942943.db2.gz ZVXOYBZFLVYFST-LLVKDONJSA-N 1 2 235.287 0.590 20 0 BCADLO O=C(C1CC1)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000338286997 385942947 /nfs/dbraw/zinc/94/29/47/385942947.db2.gz ZVXOYBZFLVYFST-LLVKDONJSA-N 1 2 235.287 0.590 20 0 BCADLO COC1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000342142947 385944930 /nfs/dbraw/zinc/94/49/30/385944930.db2.gz VCVSTMJMDZVQED-UHFFFAOYSA-N 1 2 226.280 0.511 20 0 BCADLO CC(C)c1nc(N2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000408396564 385945888 /nfs/dbraw/zinc/94/58/88/385945888.db2.gz ZNWRLBPLCFFQMB-DTORHVGOSA-N 1 2 223.276 0.142 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CN1C ZINC000335051883 385949849 /nfs/dbraw/zinc/94/98/49/385949849.db2.gz LPZGRDBXCBYXLC-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CN1C ZINC000335051883 385949855 /nfs/dbraw/zinc/94/98/55/385949855.db2.gz LPZGRDBXCBYXLC-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000285663643 385953230 /nfs/dbraw/zinc/95/32/30/385953230.db2.gz PWVDHRBDKSJGBM-SECBINFHSA-N 1 2 211.265 0.053 20 0 BCADLO CC/C=C\CC[N@H+](C)Cc1nnnn1C ZINC000342202999 385956202 /nfs/dbraw/zinc/95/62/02/385956202.db2.gz DSVUNYIBHJEWDI-WAYWQWQTSA-N 1 2 209.297 0.998 20 0 BCADLO CC/C=C\CC[N@@H+](C)Cc1nnnn1C ZINC000342202999 385956207 /nfs/dbraw/zinc/95/62/07/385956207.db2.gz DSVUNYIBHJEWDI-WAYWQWQTSA-N 1 2 209.297 0.998 20 0 BCADLO C[N@@H+](Cc1ccccn1)CC1OCCO1 ZINC000295068748 385956226 /nfs/dbraw/zinc/95/62/26/385956226.db2.gz CJAJRVOFXMHMDD-UHFFFAOYSA-N 1 2 208.261 0.886 20 0 BCADLO C[N@H+](Cc1ccccn1)CC1OCCO1 ZINC000295068748 385956235 /nfs/dbraw/zinc/95/62/35/385956235.db2.gz CJAJRVOFXMHMDD-UHFFFAOYSA-N 1 2 208.261 0.886 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000338297884 385958908 /nfs/dbraw/zinc/95/89/08/385958908.db2.gz YZAAQQMAZGDGQD-NEPJUHHUSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000338297884 385958910 /nfs/dbraw/zinc/95/89/10/385958910.db2.gz YZAAQQMAZGDGQD-NEPJUHHUSA-N 1 2 239.315 0.845 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1c(F)cncc1F ZINC000285742807 385959911 /nfs/dbraw/zinc/95/99/11/385959911.db2.gz QLXHITZVOXGQDE-MUWHJKNJSA-N 1 2 241.241 0.899 20 0 BCADLO CC1(C(=O)NCc2ccn3cc[nH+]c3c2)COC1 ZINC000273109944 385968123 /nfs/dbraw/zinc/96/81/23/385968123.db2.gz WDBRRWABPOKCOW-UHFFFAOYSA-N 1 2 245.282 0.987 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C[S@@](C)=O)c[nH+]1 ZINC000273115568 385968733 /nfs/dbraw/zinc/96/87/33/385968733.db2.gz FFJGPPFBMUKILY-WDDATRMLSA-N 1 2 229.305 0.215 20 0 BCADLO COc1ccc(C[N@H+](C)Cc2ccnn2C)nn1 ZINC000338360278 385970287 /nfs/dbraw/zinc/97/02/87/385970287.db2.gz QFADUBQUWVZBLY-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COc1ccc(C[N@@H+](C)Cc2ccnn2C)nn1 ZINC000338360278 385970297 /nfs/dbraw/zinc/97/02/97/385970297.db2.gz QFADUBQUWVZBLY-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO CC(=O)C1(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000335067511 386009154 /nfs/dbraw/zinc/00/91/54/386009154.db2.gz BNQKORRFHOYLOY-UHFFFAOYSA-N 1 2 210.277 0.130 20 0 BCADLO Cc1nc(N2CCSC[C@H]2CO)cc[nH+]1 ZINC000345146083 386011359 /nfs/dbraw/zinc/01/13/59/386011359.db2.gz GVGRCCUIZHEOFC-SECBINFHSA-N 1 2 225.317 0.699 20 0 BCADLO C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976083 386015940 /nfs/dbraw/zinc/01/59/40/386015940.db2.gz NJNYYCCDTHKHHK-AGIUHOORSA-N 1 2 240.395 0.010 20 0 BCADLO CNS(=O)(=O)[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128814104 386027600 /nfs/dbraw/zinc/02/76/00/386027600.db2.gz XTJDMQMRRNRJSJ-SECBINFHSA-N 1 2 241.316 0.210 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@](C)(O)C1CC1 ZINC000286358186 386030126 /nfs/dbraw/zinc/03/01/26/386030126.db2.gz JHNPZFSGRCAWCG-CABZTGNLSA-N 1 2 237.303 0.549 20 0 BCADLO CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1COC[C@H]1O ZINC000286382162 386031641 /nfs/dbraw/zinc/03/16/41/386031641.db2.gz OMHVMZACRPXGFH-GHMZBOCLSA-N 1 2 233.271 0.759 20 0 BCADLO CO[C@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000286393408 386034873 /nfs/dbraw/zinc/03/48/73/386034873.db2.gz MTRMFGLFQDXJSL-XNPJLODASA-N 1 2 223.276 0.916 20 0 BCADLO Cc1[nH]ccc1C(=O)NCC[NH+]1CCOCC1 ZINC000074716759 386035722 /nfs/dbraw/zinc/03/57/22/386035722.db2.gz HLSBLTKLGSZTJF-UHFFFAOYSA-N 1 2 237.303 0.385 20 0 BCADLO CCCc1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000286434919 386038331 /nfs/dbraw/zinc/03/83/31/386038331.db2.gz LHYUFHIGVTYNOF-UHFFFAOYSA-N 1 2 226.280 0.329 20 0 BCADLO CCCc1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000286434919 386038336 /nfs/dbraw/zinc/03/83/36/386038336.db2.gz LHYUFHIGVTYNOF-UHFFFAOYSA-N 1 2 226.280 0.329 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000286471661 386043490 /nfs/dbraw/zinc/04/34/90/386043490.db2.gz PHRQADYLCQOKNV-NSHDSACASA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@](C)(O)C1 ZINC000286471661 386043493 /nfs/dbraw/zinc/04/34/93/386043493.db2.gz PHRQADYLCQOKNV-NSHDSACASA-N 1 2 240.259 0.418 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCC[C@H]1O ZINC000286501475 386045332 /nfs/dbraw/zinc/04/53/32/386045332.db2.gz YGTVUJSCCRMUDI-NXEZZACHSA-N 1 2 247.302 0.713 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@@H]1CCOC1 ZINC000286564566 386051557 /nfs/dbraw/zinc/05/15/57/386051557.db2.gz VOMMEFDUJRQJEB-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000286564566 386051563 /nfs/dbraw/zinc/05/15/63/386051563.db2.gz VOMMEFDUJRQJEB-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO CC(C)c1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000286597595 386057695 /nfs/dbraw/zinc/05/76/95/386057695.db2.gz WHZDAXVGMCYHNF-UHFFFAOYSA-N 1 2 226.280 0.500 20 0 BCADLO CC(C)c1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000286597595 386057700 /nfs/dbraw/zinc/05/77/00/386057700.db2.gz WHZDAXVGMCYHNF-UHFFFAOYSA-N 1 2 226.280 0.500 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)C1CC(O)C1 ZINC000334433347 386053687 /nfs/dbraw/zinc/05/36/87/386053687.db2.gz XNEURIWZYZKUFJ-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1ccnc(OC)n1 ZINC000295582939 386054128 /nfs/dbraw/zinc/05/41/28/386054128.db2.gz BPAIMCMFZSUPLU-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1ccnc(OC)n1 ZINC000295582939 386054133 /nfs/dbraw/zinc/05/41/33/386054133.db2.gz BPAIMCMFZSUPLU-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO OC[C@H]1C=C[C@@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000647871101 386101506 /nfs/dbraw/zinc/10/15/06/386101506.db2.gz QABWDRYDVJMQFD-DTWKUNHWSA-N 1 2 248.286 0.630 20 0 BCADLO OC[C@H]1C=C[C@@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000647871101 386101513 /nfs/dbraw/zinc/10/15/13/386101513.db2.gz QABWDRYDVJMQFD-DTWKUNHWSA-N 1 2 248.286 0.630 20 0 BCADLO COC[C@@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000234798985 386101777 /nfs/dbraw/zinc/10/17/77/386101777.db2.gz GUHDFTHUDOKXDC-ZCFIWIBFSA-N 1 2 246.698 0.786 20 0 BCADLO COC[C@@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000234798985 386101781 /nfs/dbraw/zinc/10/17/81/386101781.db2.gz GUHDFTHUDOKXDC-ZCFIWIBFSA-N 1 2 246.698 0.786 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(F)C1 ZINC000334455169 386105736 /nfs/dbraw/zinc/10/57/36/386105736.db2.gz NUBNRMQJQFXEQK-MUWHJKNJSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(F)C1 ZINC000334455169 386105742 /nfs/dbraw/zinc/10/57/42/386105742.db2.gz NUBNRMQJQFXEQK-MUWHJKNJSA-N 1 2 217.244 0.004 20 0 BCADLO CO[C@H](C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000287377113 386116334 /nfs/dbraw/zinc/11/63/34/386116334.db2.gz JFSAXRLNXQDUQR-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000334461380 386117539 /nfs/dbraw/zinc/11/75/39/386117539.db2.gz OUFSOWJUBKSYMH-NSHDSACASA-N 1 2 243.282 0.409 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000334461380 386117549 /nfs/dbraw/zinc/11/75/49/386117549.db2.gz OUFSOWJUBKSYMH-NSHDSACASA-N 1 2 243.282 0.409 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2ccncc2)[C@H]1C ZINC000334442216 386059660 /nfs/dbraw/zinc/05/96/60/386059660.db2.gz CTQAILCOYRGWCZ-UWVGGRQHSA-N 1 2 219.288 0.782 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccncc2)[C@H]1C ZINC000334442216 386059667 /nfs/dbraw/zinc/05/96/67/386059667.db2.gz CTQAILCOYRGWCZ-UWVGGRQHSA-N 1 2 219.288 0.782 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)CCCCO)c[nH+]1 ZINC000295635166 386062759 /nfs/dbraw/zinc/06/27/59/386062759.db2.gz COEPZJIPHFLDAL-QMMMGPOBSA-N 1 2 225.292 0.999 20 0 BCADLO COC(=O)[C@@H](CF)NCc1[nH+]ccn1C ZINC000336772175 386065735 /nfs/dbraw/zinc/06/57/35/386065735.db2.gz XQGGRPWMDAGGOA-SSDOTTSWSA-N 1 2 215.228 0.021 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1ncnn1CC(F)F ZINC000338598140 386069868 /nfs/dbraw/zinc/06/98/68/386069868.db2.gz OVOAZJJMYWUEOY-SSDOTTSWSA-N 1 2 234.250 0.356 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000338598140 386069872 /nfs/dbraw/zinc/06/98/72/386069872.db2.gz OVOAZJJMYWUEOY-SSDOTTSWSA-N 1 2 234.250 0.356 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOCC12CC2 ZINC000338593912 386070097 /nfs/dbraw/zinc/07/00/97/386070097.db2.gz UTIUCYWFJFPJOR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOCC12CC2 ZINC000338593912 386070114 /nfs/dbraw/zinc/07/01/14/386070114.db2.gz UTIUCYWFJFPJOR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623333 386074677 /nfs/dbraw/zinc/07/46/77/386074677.db2.gz FPVZTGOAUMTIGU-MWLCHTKSSA-N 1 2 231.267 0.344 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338623333 386074681 /nfs/dbraw/zinc/07/46/81/386074681.db2.gz FPVZTGOAUMTIGU-MWLCHTKSSA-N 1 2 231.267 0.344 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425444740 386075730 /nfs/dbraw/zinc/07/57/30/386075730.db2.gz NZSDRFZTCQRRKU-IUCAKERBSA-N 1 2 241.291 0.726 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425444740 386075738 /nfs/dbraw/zinc/07/57/38/386075738.db2.gz NZSDRFZTCQRRKU-IUCAKERBSA-N 1 2 241.291 0.726 20 0 BCADLO COc1nccnc1C[NH2+]CC1(C)OCCO1 ZINC000295730890 386079054 /nfs/dbraw/zinc/07/90/54/386079054.db2.gz ODKKJGWSKNQCEN-UHFFFAOYSA-N 1 2 239.275 0.338 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C2CC2)C1 ZINC000643293253 386079990 /nfs/dbraw/zinc/07/99/90/386079990.db2.gz XIHLVCHUYWODCV-GFCCVEGCSA-N 1 2 238.331 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C2CC2)C1 ZINC000643293253 386079997 /nfs/dbraw/zinc/07/99/97/386079997.db2.gz XIHLVCHUYWODCV-GFCCVEGCSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627221 386082492 /nfs/dbraw/zinc/08/24/92/386082492.db2.gz QHBSOYVUAJYIGA-KWQFWETISA-N 1 2 230.283 0.060 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627221 386082498 /nfs/dbraw/zinc/08/24/98/386082498.db2.gz QHBSOYVUAJYIGA-KWQFWETISA-N 1 2 230.283 0.060 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCO[C@@H]2C[C@@H]21 ZINC000366112288 386088237 /nfs/dbraw/zinc/08/82/37/386088237.db2.gz OYLUQHPGAKENAQ-DTWKUNHWSA-N 1 2 231.259 0.341 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000286988567 386088664 /nfs/dbraw/zinc/08/86/64/386088664.db2.gz QFBLAYVZKDJFAX-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000286988567 386088667 /nfs/dbraw/zinc/08/86/67/386088667.db2.gz QFBLAYVZKDJFAX-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000425453463 386093681 /nfs/dbraw/zinc/09/36/81/386093681.db2.gz ZAVHRNYVJCIZCE-RKDXNWHRSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000425453463 386093685 /nfs/dbraw/zinc/09/36/85/386093685.db2.gz ZAVHRNYVJCIZCE-RKDXNWHRSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1OCCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408331515 386098993 /nfs/dbraw/zinc/09/89/93/386098993.db2.gz NVCQQEUXLZMMPZ-RKDXNWHRSA-N 1 2 236.271 0.963 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)CC1(CO)CC1 ZINC000190011180 386144665 /nfs/dbraw/zinc/14/46/65/386144665.db2.gz KNVZOGRKIKFTPA-UHFFFAOYSA-N 1 2 222.292 0.263 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)CC1(CO)CC1 ZINC000190011180 386144671 /nfs/dbraw/zinc/14/46/71/386144671.db2.gz KNVZOGRKIKFTPA-UHFFFAOYSA-N 1 2 222.292 0.263 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)C(C)(C)C)C[NH2+]1 ZINC000366151376 386145594 /nfs/dbraw/zinc/14/55/94/386145594.db2.gz KDEQYNMZNHALRC-JGVFFNPUSA-N 1 2 228.292 0.052 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccn1C ZINC000190084721 386146738 /nfs/dbraw/zinc/14/67/38/386146738.db2.gz QPLHICBDCODPLL-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccn1C ZINC000190084721 386146741 /nfs/dbraw/zinc/14/67/41/386146741.db2.gz QPLHICBDCODPLL-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccco1 ZINC000190084630 386147243 /nfs/dbraw/zinc/14/72/43/386147243.db2.gz GQFSNSHZTTZIPE-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccco1 ZINC000190084630 386147246 /nfs/dbraw/zinc/14/72/46/386147246.db2.gz GQFSNSHZTTZIPE-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO COC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000130212982 386148424 /nfs/dbraw/zinc/14/84/24/386148424.db2.gz VZVIMCRELAFQML-QMMMGPOBSA-N 1 2 236.275 0.266 20 0 BCADLO CNS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000296202060 386148754 /nfs/dbraw/zinc/14/87/54/386148754.db2.gz WBRQORLBWIWBLE-SSDOTTSWSA-N 1 2 232.309 0.161 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000334472195 386152128 /nfs/dbraw/zinc/15/21/28/386152128.db2.gz KFDBGIKIQRFJEE-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000334472195 386152136 /nfs/dbraw/zinc/15/21/36/386152136.db2.gz KFDBGIKIQRFJEE-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCOC1 ZINC000263904758 386190193 /nfs/dbraw/zinc/19/01/93/386190193.db2.gz HDJPJVOBFSAAGW-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346153142 386167673 /nfs/dbraw/zinc/16/76/73/386167673.db2.gz DVQJQYYXUZKSKW-UHFFFAOYSA-N 1 2 239.275 0.328 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346153142 386167677 /nfs/dbraw/zinc/16/76/77/386167677.db2.gz DVQJQYYXUZKSKW-UHFFFAOYSA-N 1 2 239.275 0.328 20 0 BCADLO C[C@@H]([NH2+]CCOCC1CC1)c1ncn(C)n1 ZINC000336754113 386169439 /nfs/dbraw/zinc/16/94/39/386169439.db2.gz WTVJNRCHJNGDAZ-SECBINFHSA-N 1 2 224.308 0.892 20 0 BCADLO CC(=O)C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000338892651 386170147 /nfs/dbraw/zinc/17/01/47/386170147.db2.gz RAWVJTVTZQJPPU-UHFFFAOYSA-N 1 2 221.260 0.369 20 0 BCADLO Cc1nc(N2CC[C@@H](O)C(C)(C)C2)nc(N)[nH+]1 ZINC000310292499 386170329 /nfs/dbraw/zinc/17/03/29/386170329.db2.gz ZNJBBADVBWOCER-MRVPVSSYSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](O)C(C)(C)C2)[nH+]1 ZINC000310292499 386170336 /nfs/dbraw/zinc/17/03/36/386170336.db2.gz ZNJBBADVBWOCER-MRVPVSSYSA-N 1 2 237.307 0.359 20 0 BCADLO O=C(C1CC1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000335320813 386175154 /nfs/dbraw/zinc/17/51/54/386175154.db2.gz DPHAUJPMSADBKK-LBPRGKRZSA-N 1 2 231.299 0.965 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425502927 386186582 /nfs/dbraw/zinc/18/65/82/386186582.db2.gz RHVUYXKTJUOXAK-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425502927 386186584 /nfs/dbraw/zinc/18/65/84/386186584.db2.gz RHVUYXKTJUOXAK-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@H](CO)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000287499736 386129333 /nfs/dbraw/zinc/12/93/33/386129333.db2.gz JDAPTDHQQPGNMZ-VHSXEESVSA-N 1 2 240.307 0.294 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCn2ccnc2C1 ZINC000334467024 386129518 /nfs/dbraw/zinc/12/95/18/386129518.db2.gz WBNCBKXEIAXEED-UHFFFAOYSA-N 1 2 217.276 0.930 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCn2ccnc2C1 ZINC000334467024 386129524 /nfs/dbraw/zinc/12/95/24/386129524.db2.gz WBNCBKXEIAXEED-UHFFFAOYSA-N 1 2 217.276 0.930 20 0 BCADLO C[C@H](CF)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000287696871 386142898 /nfs/dbraw/zinc/14/28/98/386142898.db2.gz UFIOFFYYAISDHU-BDAKNGLRSA-N 1 2 228.271 0.929 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cncn1C ZINC000335150980 386143145 /nfs/dbraw/zinc/14/31/45/386143145.db2.gz DPNGQIWQELPMQE-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](C)OC2=O)c[nH+]1 ZINC000288451864 386201152 /nfs/dbraw/zinc/20/11/52/386201152.db2.gz FUNIJMGLHWRMDY-CAHLUQPWSA-N 1 2 223.232 0.152 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344834642 386204478 /nfs/dbraw/zinc/20/44/78/386204478.db2.gz RVCRGCCTVCVOAP-QWRGUYRKSA-N 1 2 227.283 0.808 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344834642 386204480 /nfs/dbraw/zinc/20/44/80/386204480.db2.gz RVCRGCCTVCVOAP-QWRGUYRKSA-N 1 2 227.283 0.808 20 0 BCADLO COC(C[N@H+](C)Cc1ccon1)OC ZINC000275414022 386208005 /nfs/dbraw/zinc/20/80/05/386208005.db2.gz FDFNRLCMDFUJSR-UHFFFAOYSA-N 1 2 200.238 0.725 20 0 BCADLO COC(C[N@@H+](C)Cc1ccon1)OC ZINC000275414022 386208011 /nfs/dbraw/zinc/20/80/11/386208011.db2.gz FDFNRLCMDFUJSR-UHFFFAOYSA-N 1 2 200.238 0.725 20 0 BCADLO CC[C@H](O)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000339011882 386209462 /nfs/dbraw/zinc/20/94/62/386209462.db2.gz VTPPTGFTBQRYBG-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](O)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000339011882 386209468 /nfs/dbraw/zinc/20/94/68/386209468.db2.gz VTPPTGFTBQRYBG-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CSCCC(=O)NCc1[nH+]ccn1C ZINC000264186304 386216012 /nfs/dbraw/zinc/21/60/12/386216012.db2.gz AGEMPAPNIQFUKB-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347024418 386217079 /nfs/dbraw/zinc/21/70/79/386217079.db2.gz RAZYDTRIBLLRAB-IUCAKERBSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347024418 386217082 /nfs/dbraw/zinc/21/70/82/386217082.db2.gz RAZYDTRIBLLRAB-IUCAKERBSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cncn1C ZINC000289079670 386259851 /nfs/dbraw/zinc/25/98/51/386259851.db2.gz DDECYORVUYXYKF-VIFPVBQESA-N 1 2 233.275 0.435 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347027979 386221455 /nfs/dbraw/zinc/22/14/55/386221455.db2.gz VMDDWYHMOTVBHG-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347027979 386221457 /nfs/dbraw/zinc/22/14/57/386221457.db2.gz VMDDWYHMOTVBHG-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000264278457 386223150 /nfs/dbraw/zinc/22/31/50/386223150.db2.gz HWVHUMDOPFQHLS-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264290839 386224930 /nfs/dbraw/zinc/22/49/30/386224930.db2.gz KCJNGODXQHTORD-UHFFFAOYSA-N 1 2 238.291 0.174 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000414381330 386226375 /nfs/dbraw/zinc/22/63/75/386226375.db2.gz LJSWDZUKEGHSIN-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000414381330 386226377 /nfs/dbraw/zinc/22/63/77/386226377.db2.gz LJSWDZUKEGHSIN-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO C[C@]([NH2+]Cc1cc[nH]n1)(C(N)=O)c1ccccc1 ZINC000340292687 386228405 /nfs/dbraw/zinc/22/84/05/386228405.db2.gz QCJAMXAVCKTVOE-CYBMUJFWSA-N 1 2 244.298 0.900 20 0 BCADLO C[C@]1(O)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647969720 386233511 /nfs/dbraw/zinc/23/35/11/386233511.db2.gz MNFSPYORJSIUFK-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO C[C@]1(O)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647969720 386233512 /nfs/dbraw/zinc/23/35/12/386233512.db2.gz MNFSPYORJSIUFK-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC1CC(O)C1 ZINC000190140862 386237470 /nfs/dbraw/zinc/23/74/70/386237470.db2.gz GVFXJQGYYGCHTF-UHFFFAOYSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC1CC(O)C1 ZINC000190140862 386237475 /nfs/dbraw/zinc/23/74/75/386237475.db2.gz GVFXJQGYYGCHTF-UHFFFAOYSA-N 1 2 239.323 0.457 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000339077269 386237658 /nfs/dbraw/zinc/23/76/58/386237658.db2.gz IOJZMIXQTNLXPR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000339077269 386237664 /nfs/dbraw/zinc/23/76/64/386237664.db2.gz IOJZMIXQTNLXPR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccno2)C[C@H](C)O1 ZINC000275786714 386238111 /nfs/dbraw/zinc/23/81/11/386238111.db2.gz DAVKZCDVJGHAGE-ONGXEEELSA-N 1 2 226.276 0.910 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](C)O1 ZINC000275786714 386238113 /nfs/dbraw/zinc/23/81/13/386238113.db2.gz DAVKZCDVJGHAGE-ONGXEEELSA-N 1 2 226.276 0.910 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000288979637 386245998 /nfs/dbraw/zinc/24/59/98/386245998.db2.gz CGWYADUPVFUBGC-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000288979637 386246002 /nfs/dbraw/zinc/24/60/02/386246002.db2.gz CGWYADUPVFUBGC-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccno1 ZINC000264606828 386253238 /nfs/dbraw/zinc/25/32/38/386253238.db2.gz HUUOLVZYOVHEMP-SNVBAGLBSA-N 1 2 223.276 0.631 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000264606828 386253249 /nfs/dbraw/zinc/25/32/49/386253249.db2.gz HUUOLVZYOVHEMP-SNVBAGLBSA-N 1 2 223.276 0.631 20 0 BCADLO Cc1ccnc(C[N@H+](CCO)C2CC2)n1 ZINC000336648441 386256565 /nfs/dbraw/zinc/25/65/65/386256565.db2.gz OPPPNMXJNYIVPG-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1ccnc(C[N@@H+](CCO)C2CC2)n1 ZINC000336648441 386256570 /nfs/dbraw/zinc/25/65/70/386256570.db2.gz OPPPNMXJNYIVPG-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCn1cncn1)C(=O)OC ZINC000347192802 386256965 /nfs/dbraw/zinc/25/69/65/386256965.db2.gz IATJOMKANRYSNT-NXEZZACHSA-N 1 2 240.307 0.455 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000336647331 386257459 /nfs/dbraw/zinc/25/74/59/386257459.db2.gz MCCDYOHYRIILFU-SNVBAGLBSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000336647331 386257463 /nfs/dbraw/zinc/25/74/63/386257463.db2.gz MCCDYOHYRIILFU-SNVBAGLBSA-N 1 2 207.277 0.742 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192606 /nfs/dbraw/zinc/19/26/06/386192606.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 1 2 208.265 0.417 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192609 /nfs/dbraw/zinc/19/26/09/386192609.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 1 2 208.265 0.417 20 0 BCADLO c1[nH]nnc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192618 /nfs/dbraw/zinc/19/26/18/386192618.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 1 2 208.265 0.417 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192619 /nfs/dbraw/zinc/19/26/19/386192619.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 1 2 208.265 0.417 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192623 /nfs/dbraw/zinc/19/26/23/386192623.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 1 2 208.265 0.417 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c[nH+]1 ZINC000275228133 386193787 /nfs/dbraw/zinc/19/37/87/386193787.db2.gz ITRAOJZCQXVJCH-DTWKUNHWSA-N 1 2 223.276 0.607 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000336648436 386259012 /nfs/dbraw/zinc/25/90/12/386259012.db2.gz OOXHCKMZICKZFL-VIFPVBQESA-N 1 2 228.317 0.856 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000336648436 386259016 /nfs/dbraw/zinc/25/90/16/386259016.db2.gz OOXHCKMZICKZFL-VIFPVBQESA-N 1 2 228.317 0.856 20 0 BCADLO COc1ncccc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275240527 386196275 /nfs/dbraw/zinc/19/62/75/386196275.db2.gz OCASBYXACZBEME-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H](CC)C(N)=O)CCO1 ZINC000131250915 386199682 /nfs/dbraw/zinc/19/96/82/386199682.db2.gz LBSXOGVXGIAZNV-UWVGGRQHSA-N 1 2 214.309 0.751 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H](CC)C(N)=O)CCO1 ZINC000131250915 386199687 /nfs/dbraw/zinc/19/96/87/386199687.db2.gz LBSXOGVXGIAZNV-UWVGGRQHSA-N 1 2 214.309 0.751 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2noc(C)n2)[C@@H]1C ZINC000347202114 386280975 /nfs/dbraw/zinc/28/09/75/386280975.db2.gz KAMPNUXXKWDEPH-VXNVDRBHSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2noc(C)n2)[C@@H]1C ZINC000347202114 386280979 /nfs/dbraw/zinc/28/09/79/386280979.db2.gz KAMPNUXXKWDEPH-VXNVDRBHSA-N 1 2 239.275 0.761 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000639075181 386281220 /nfs/dbraw/zinc/28/12/20/386281220.db2.gz YZXWOXBVDRDHMF-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000639075181 386281225 /nfs/dbraw/zinc/28/12/25/386281225.db2.gz YZXWOXBVDRDHMF-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO COC1(C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000339168475 386281295 /nfs/dbraw/zinc/28/12/95/386281295.db2.gz DZXIBDCNOYKXJV-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO Cn1cc[nH+]c1CN1CC(OCC(F)F)C1 ZINC000336665009 386287656 /nfs/dbraw/zinc/28/76/56/386287656.db2.gz FDWPSNMNMYTDAL-UHFFFAOYSA-N 1 2 231.246 0.886 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCNC(=O)CC1 ZINC000289352164 386288014 /nfs/dbraw/zinc/28/80/14/386288014.db2.gz NCFKRYBTURMUMY-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCNC(=O)CC1 ZINC000289352164 386288022 /nfs/dbraw/zinc/28/80/22/386288022.db2.gz NCFKRYBTURMUMY-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ncc(C)o2)C[C@H]1OC ZINC000336664836 386288100 /nfs/dbraw/zinc/28/81/00/386288100.db2.gz HNBCJPQMNBWYNO-NXEZZACHSA-N 1 2 226.276 0.829 20 0 BCADLO CCC(=O)N1CC[N@H+](CCc2ccnn2C)C1 ZINC000425514375 386291455 /nfs/dbraw/zinc/29/14/55/386291455.db2.gz QFEFIEJHBIPXOK-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCc2ccnn2C)C1 ZINC000425514375 386291458 /nfs/dbraw/zinc/29/14/58/386291458.db2.gz QFEFIEJHBIPXOK-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000347290616 386291777 /nfs/dbraw/zinc/29/17/77/386291777.db2.gz VKTPKUWUMMTXOB-UHFFFAOYSA-N 1 2 224.304 0.377 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347292005 386294883 /nfs/dbraw/zinc/29/48/83/386294883.db2.gz UYAQMCHJDZAANO-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347292005 386294886 /nfs/dbraw/zinc/29/48/86/386294886.db2.gz UYAQMCHJDZAANO-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000276313280 386301682 /nfs/dbraw/zinc/30/16/82/386301682.db2.gz UQOGSFPSTHUWSU-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@@](=O)CC)[C@H](C)C1 ZINC000451680643 386306028 /nfs/dbraw/zinc/30/60/28/386306028.db2.gz TWROQXZYFFTASO-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@@](=O)CC)[C@H](C)C1 ZINC000451680643 386306034 /nfs/dbraw/zinc/30/60/34/386306034.db2.gz TWROQXZYFFTASO-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](C)O ZINC000339221189 386309268 /nfs/dbraw/zinc/30/92/68/386309268.db2.gz XDPIYEXNZQWSGM-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](C)O ZINC000339221189 386309270 /nfs/dbraw/zinc/30/92/70/386309270.db2.gz XDPIYEXNZQWSGM-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO Cn1ncc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000289467655 386309715 /nfs/dbraw/zinc/30/97/15/386309715.db2.gz GYRWFHCAKGLGPF-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO Cn1ncc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000289467655 386309720 /nfs/dbraw/zinc/30/97/20/386309720.db2.gz GYRWFHCAKGLGPF-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO CO[C@@H](C)C[N@H+](Cc1nnn(C)n1)C(C)C ZINC000336670845 386316179 /nfs/dbraw/zinc/31/61/79/386316179.db2.gz XYJISPUTAXQZKZ-VIFPVBQESA-N 1 2 227.312 0.455 20 0 BCADLO CO[C@@H](C)C[N@@H+](Cc1nnn(C)n1)C(C)C ZINC000336670845 386316183 /nfs/dbraw/zinc/31/61/83/386316183.db2.gz XYJISPUTAXQZKZ-VIFPVBQESA-N 1 2 227.312 0.455 20 0 BCADLO CO[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276400266 386317210 /nfs/dbraw/zinc/31/72/10/386317210.db2.gz HCTFMXAYIDGOMU-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CO[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276400266 386317215 /nfs/dbraw/zinc/31/72/15/386317215.db2.gz HCTFMXAYIDGOMU-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276416462 386319234 /nfs/dbraw/zinc/31/92/34/386319234.db2.gz WJUJBBHKDLGIRJ-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276416462 386319239 /nfs/dbraw/zinc/31/92/39/386319239.db2.gz WJUJBBHKDLGIRJ-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000336650841 386263756 /nfs/dbraw/zinc/26/37/56/386263756.db2.gz TYXJNMJAIUGMEM-MRVPVSSYSA-N 1 2 211.265 0.760 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC000336650841 386263758 /nfs/dbraw/zinc/26/37/58/386263758.db2.gz TYXJNMJAIUGMEM-MRVPVSSYSA-N 1 2 211.265 0.760 20 0 BCADLO CCN(CCO)c1ncnc2c1C[N@H+](C)CC2 ZINC000264733645 386265955 /nfs/dbraw/zinc/26/59/55/386265955.db2.gz JJADVLCGRMZURG-UHFFFAOYSA-N 1 2 236.319 0.283 20 0 BCADLO CCN(CCO)c1ncnc2c1C[N@@H+](C)CC2 ZINC000264733645 386265960 /nfs/dbraw/zinc/26/59/60/386265960.db2.gz JJADVLCGRMZURG-UHFFFAOYSA-N 1 2 236.319 0.283 20 0 BCADLO Cc1cnc(C[NH+]2CCC(O)CC2)nc1 ZINC000336652025 386266832 /nfs/dbraw/zinc/26/68/32/386266832.db2.gz WAIKXOROSCBBCW-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000336652992 386268492 /nfs/dbraw/zinc/26/84/92/386268492.db2.gz XLJIGYRGWPIFQY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000336652992 386268494 /nfs/dbraw/zinc/26/84/94/386268494.db2.gz XLJIGYRGWPIFQY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO FC1(F)COCCN(CCn2cc[nH+]c2)C1 ZINC000289161558 386268592 /nfs/dbraw/zinc/26/85/92/386268592.db2.gz DQVHGQNSQOXSKX-UHFFFAOYSA-N 1 2 231.246 0.851 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOC1CCC1 ZINC000347177450 386269077 /nfs/dbraw/zinc/26/90/77/386269077.db2.gz XHFGJEZCGNRHPY-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOC1CCC1 ZINC000347177450 386269083 /nfs/dbraw/zinc/26/90/83/386269083.db2.gz XHFGJEZCGNRHPY-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CCOCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187060618 386274530 /nfs/dbraw/zinc/27/45/30/386274530.db2.gz AJUGWHGYDZNQLM-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CCOCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187060618 386274536 /nfs/dbraw/zinc/27/45/36/386274536.db2.gz AJUGWHGYDZNQLM-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO C[C@H](C(=O)N1CCC12CCC2)[NH+]1CCOCC1 ZINC000335277169 386340202 /nfs/dbraw/zinc/34/02/02/386340202.db2.gz CZQLTIWBGNUIIF-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000347346414 386340931 /nfs/dbraw/zinc/34/09/31/386340931.db2.gz HAJNRWDXMFESOZ-PWSUYJOCSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000347346414 386340937 /nfs/dbraw/zinc/34/09/37/386340937.db2.gz HAJNRWDXMFESOZ-PWSUYJOCSA-N 1 2 244.310 0.716 20 0 BCADLO Cn1ncc(CN2CCC(n3cc[nH+]c3)CC2)n1 ZINC000289722797 386348198 /nfs/dbraw/zinc/34/81/98/386348198.db2.gz GYOKMEWOUFNGLR-UHFFFAOYSA-N 1 2 246.318 0.849 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cn1 ZINC000336688464 386350332 /nfs/dbraw/zinc/35/03/32/386350332.db2.gz AJUMUPSLPQAVMI-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cn1 ZINC000336688464 386350335 /nfs/dbraw/zinc/35/03/35/386350335.db2.gz AJUMUPSLPQAVMI-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1cnc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cn1 ZINC000336688464 386350340 /nfs/dbraw/zinc/35/03/40/386350340.db2.gz AJUMUPSLPQAVMI-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000347310741 386350302 /nfs/dbraw/zinc/35/03/02/386350302.db2.gz WYKXYDSZAYESHE-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000347310741 386350306 /nfs/dbraw/zinc/35/03/06/386350306.db2.gz WYKXYDSZAYESHE-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1ccccc1Cl ZINC000298472913 386350372 /nfs/dbraw/zinc/35/03/72/386350372.db2.gz CWBMLKGECHRLDT-JTQLQIEISA-N 1 2 242.706 0.791 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1ccccc1Cl ZINC000298472913 386350376 /nfs/dbraw/zinc/35/03/76/386350376.db2.gz CWBMLKGECHRLDT-JTQLQIEISA-N 1 2 242.706 0.791 20 0 BCADLO Cc1cnc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cn1 ZINC000336688464 386350345 /nfs/dbraw/zinc/35/03/45/386350345.db2.gz AJUMUPSLPQAVMI-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(F)(F)C(F)F ZINC000226640252 386351309 /nfs/dbraw/zinc/35/13/09/386351309.db2.gz RXDWWQFPVLUJTE-UHFFFAOYSA-N 1 2 239.172 0.937 20 0 BCADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000347310733 386351371 /nfs/dbraw/zinc/35/13/71/386351371.db2.gz WYKXYDSZAYESHE-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000347310733 386351373 /nfs/dbraw/zinc/35/13/73/386351373.db2.gz WYKXYDSZAYESHE-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000298502801 386354585 /nfs/dbraw/zinc/35/45/85/386354585.db2.gz JRRLHELVRRAWBT-VIFPVBQESA-N 1 2 236.275 0.460 20 0 BCADLO COC(=O)[C@]1([NH2+]CCCCCO)CCOC1 ZINC000336774614 386354768 /nfs/dbraw/zinc/35/47/68/386354768.db2.gz WZMRBPBKLZDFOF-NSHDSACASA-N 1 2 231.292 0.071 20 0 BCADLO CO[C@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298516636 386354716 /nfs/dbraw/zinc/35/47/16/386354716.db2.gz BOBMXMJUCHPEMB-RKDXNWHRSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298516636 386354719 /nfs/dbraw/zinc/35/47/19/386354719.db2.gz BOBMXMJUCHPEMB-RKDXNWHRSA-N 1 2 240.307 0.716 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347321572 386360141 /nfs/dbraw/zinc/36/01/41/386360141.db2.gz NNSXRTRUGHQCEB-LSYCYVAJSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347321572 386360147 /nfs/dbraw/zinc/36/01/47/386360147.db2.gz NNSXRTRUGHQCEB-LSYCYVAJSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289863106 386365357 /nfs/dbraw/zinc/36/53/57/386365357.db2.gz LIEPNWIXRSLQSH-SNVBAGLBSA-N 1 2 223.276 0.611 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289863106 386365362 /nfs/dbraw/zinc/36/53/62/386365362.db2.gz LIEPNWIXRSLQSH-SNVBAGLBSA-N 1 2 223.276 0.611 20 0 BCADLO CCC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000336692816 386366352 /nfs/dbraw/zinc/36/63/52/386366352.db2.gz AAJAKKRNKMEELQ-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000339326565 386367980 /nfs/dbraw/zinc/36/79/80/386367980.db2.gz JEUUOPRMCXYOLE-NEPJUHHUSA-N 1 2 241.379 0.785 20 0 BCADLO Cc1n[nH]cc1CNC(=O)NCCn1cc[nH+]c1 ZINC000298673359 386368471 /nfs/dbraw/zinc/36/84/71/386368471.db2.gz WNYWULZFUAHPKM-UHFFFAOYSA-N 1 2 248.290 0.414 20 0 BCADLO CC[N@H+](CCOC)Cc1nc(COC)no1 ZINC000347367739 386368758 /nfs/dbraw/zinc/36/87/58/386368758.db2.gz JISFXKSKZLZJHU-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO CC[N@@H+](CCOC)Cc1nc(COC)no1 ZINC000347367739 386368766 /nfs/dbraw/zinc/36/87/66/386368766.db2.gz JISFXKSKZLZJHU-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)CCOCCO)o1 ZINC000336693928 386369425 /nfs/dbraw/zinc/36/94/25/386369425.db2.gz IEMKWVUZVUUCBC-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)CCOCCO)o1 ZINC000336693928 386369427 /nfs/dbraw/zinc/36/94/27/386369427.db2.gz IEMKWVUZVUUCBC-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCCn1cc[nH+]c1 ZINC000276748051 386371717 /nfs/dbraw/zinc/37/17/17/386371717.db2.gz VQRVHSMKAWUHLE-NSCUHMNNSA-N 1 2 245.286 0.826 20 0 BCADLO CSCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265808332 386372796 /nfs/dbraw/zinc/37/27/96/386372796.db2.gz ZACZZVOFMFXHLJ-SECBINFHSA-N 1 2 227.333 0.998 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc[nH]2)C[C@@H]1OC ZINC000276779757 386374972 /nfs/dbraw/zinc/37/49/72/386374972.db2.gz AIWZUQHCOCJLDR-DTORHVGOSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc[nH]2)C[C@@H]1OC ZINC000276779757 386374976 /nfs/dbraw/zinc/37/49/76/386374976.db2.gz AIWZUQHCOCJLDR-DTORHVGOSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1OC ZINC000276779757 386374979 /nfs/dbraw/zinc/37/49/79/386374979.db2.gz AIWZUQHCOCJLDR-DTORHVGOSA-N 1 2 211.265 0.255 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347384032 386375673 /nfs/dbraw/zinc/37/56/73/386375673.db2.gz WHUKQQKSZNFUHI-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347384032 386375680 /nfs/dbraw/zinc/37/56/80/386375680.db2.gz WHUKQQKSZNFUHI-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347387667 386376915 /nfs/dbraw/zinc/37/69/15/386376915.db2.gz YVQVYZWCLJFUNX-GXSJLCMTSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347387667 386376921 /nfs/dbraw/zinc/37/69/21/386376921.db2.gz YVQVYZWCLJFUNX-GXSJLCMTSA-N 1 2 233.283 0.734 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@H](O)C2)c[nH+]1 ZINC000276816698 386380105 /nfs/dbraw/zinc/38/01/05/386380105.db2.gz CTWUGGRUBQEJAJ-IUCAKERBSA-N 1 2 223.276 0.609 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347392548 386380127 /nfs/dbraw/zinc/38/01/27/386380127.db2.gz PYLYANILIGEZJJ-LLVKDONJSA-N 1 2 232.299 0.573 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347392548 386380129 /nfs/dbraw/zinc/38/01/29/386380129.db2.gz PYLYANILIGEZJJ-LLVKDONJSA-N 1 2 232.299 0.573 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000336698480 386380915 /nfs/dbraw/zinc/38/09/15/386380915.db2.gz RJJQFMGDLNTPFL-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336698480 386380921 /nfs/dbraw/zinc/38/09/21/386380921.db2.gz RJJQFMGDLNTPFL-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@@H]1OC ZINC000276839449 386381777 /nfs/dbraw/zinc/38/17/77/386381777.db2.gz HNBCJPQMNBWYNO-AOOOYVTPSA-N 1 2 226.276 0.829 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@@H]1OC ZINC000276839449 386381781 /nfs/dbraw/zinc/38/17/81/386381781.db2.gz HNBCJPQMNBWYNO-AOOOYVTPSA-N 1 2 226.276 0.829 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)c1 ZINC000289996246 386382756 /nfs/dbraw/zinc/38/27/56/386382756.db2.gz SSRPLUGZSFWNPQ-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)c1 ZINC000289996246 386382759 /nfs/dbraw/zinc/38/27/59/386382759.db2.gz SSRPLUGZSFWNPQ-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000265938084 386383088 /nfs/dbraw/zinc/38/30/88/386383088.db2.gz GQWPOHHGBAYKJM-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265944156 386383370 /nfs/dbraw/zinc/38/33/70/386383370.db2.gz LWKHTESRORPSOE-BDAKNGLRSA-N 1 2 240.307 0.236 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1scnc1C ZINC000339361571 386383392 /nfs/dbraw/zinc/38/33/92/386383392.db2.gz QLWHHIGNZWVEFV-QMMMGPOBSA-N 1 2 243.332 0.384 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1scnc1C ZINC000339361571 386383396 /nfs/dbraw/zinc/38/33/96/386383396.db2.gz QLWHHIGNZWVEFV-QMMMGPOBSA-N 1 2 243.332 0.384 20 0 BCADLO CN(C(=O)C[N@@H+]1CCC[C@](F)(CO)C1)C1CC1 ZINC000347337567 386333998 /nfs/dbraw/zinc/33/39/98/386333998.db2.gz LZVLLHOVXUHUEN-GFCCVEGCSA-N 1 2 244.310 0.404 20 0 BCADLO CN(C(=O)C[N@H+]1CCC[C@](F)(CO)C1)C1CC1 ZINC000347337567 386334000 /nfs/dbraw/zinc/33/40/00/386334000.db2.gz LZVLLHOVXUHUEN-GFCCVEGCSA-N 1 2 244.310 0.404 20 0 BCADLO CC[N@H+](CCO)Cc1nc(CCOC)no1 ZINC000336680416 386334961 /nfs/dbraw/zinc/33/49/61/386334961.db2.gz PZESOTDNZKMJEJ-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(CCOC)no1 ZINC000336680416 386334966 /nfs/dbraw/zinc/33/49/66/386334966.db2.gz PZESOTDNZKMJEJ-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276509889 386335259 /nfs/dbraw/zinc/33/52/59/386335259.db2.gz AYOHRWIGKKMEKM-ONEGZZNKSA-N 1 2 209.249 0.576 20 0 BCADLO Cc1nonc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000265416977 386336603 /nfs/dbraw/zinc/33/66/03/386336603.db2.gz OWUQXAWTLFFWPG-UHFFFAOYSA-N 1 2 236.275 0.298 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290436748 386436678 /nfs/dbraw/zinc/43/66/78/386436678.db2.gz SAMLKAWTOJVVDD-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290436748 386436682 /nfs/dbraw/zinc/43/66/82/386436682.db2.gz SAMLKAWTOJVVDD-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO CCOCC[NH+]1CCN(CC2(C)COC2)CC1 ZINC000336718223 386438650 /nfs/dbraw/zinc/43/86/50/386438650.db2.gz WWZUODAWTPBIIG-UHFFFAOYSA-N 1 2 242.363 0.677 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299313274 386439506 /nfs/dbraw/zinc/43/95/06/386439506.db2.gz XRAHTIMCCBEVMY-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO CCOCCOCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347489038 386440522 /nfs/dbraw/zinc/44/05/22/386440522.db2.gz COGJSKHYVUTHFX-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000339472483 386442554 /nfs/dbraw/zinc/44/25/54/386442554.db2.gz HXWDUDLLYIOGGN-WDEREUQCSA-N 1 2 249.314 0.773 20 0 BCADLO Nc1ccc(NC(=O)CN2CCCCC2=O)c[nH+]1 ZINC000238139673 386445328 /nfs/dbraw/zinc/44/53/28/386445328.db2.gz FVZQUWHCVVUEGK-UHFFFAOYSA-N 1 2 248.286 0.615 20 0 BCADLO CC[C@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000299382779 386446921 /nfs/dbraw/zinc/44/69/21/386446921.db2.gz HQRQILHGKLCGNT-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccon1 ZINC000299396434 386448573 /nfs/dbraw/zinc/44/85/73/386448573.db2.gz BXKDJVURGUFPSL-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)[C@@H]2CCOC2)c[nH+]1 ZINC000266545961 386450121 /nfs/dbraw/zinc/45/01/21/386450121.db2.gz KUVBSYDUDGOMJE-VXNVDRBHSA-N 1 2 223.276 0.873 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000266012330 386388676 /nfs/dbraw/zinc/38/86/76/386388676.db2.gz SJCCRJMKBFOMOQ-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000266012330 386388678 /nfs/dbraw/zinc/38/86/78/386388678.db2.gz SJCCRJMKBFOMOQ-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000266013337 386391938 /nfs/dbraw/zinc/39/19/38/386391938.db2.gz SWRQRFMTOZNDOE-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000266013337 386391940 /nfs/dbraw/zinc/39/19/40/386391940.db2.gz SWRQRFMTOZNDOE-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334497681 386392675 /nfs/dbraw/zinc/39/26/75/386392675.db2.gz IJEAVKDAKXNZDA-SECBINFHSA-N 1 2 235.287 0.360 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334497681 386392681 /nfs/dbraw/zinc/39/26/81/386392681.db2.gz IJEAVKDAKXNZDA-SECBINFHSA-N 1 2 235.287 0.360 20 0 BCADLO C[C@@H](O)CNc1cc(NCCF)[nH+]cn1 ZINC000298880385 386394117 /nfs/dbraw/zinc/39/41/17/386394117.db2.gz KVUSRHOVRYMDLF-SSDOTTSWSA-N 1 2 214.244 0.651 20 0 BCADLO C[C@@H](O)CNc1cc(NCCF)nc[nH+]1 ZINC000298880385 386394123 /nfs/dbraw/zinc/39/41/23/386394123.db2.gz KVUSRHOVRYMDLF-SSDOTTSWSA-N 1 2 214.244 0.651 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000290156617 386402168 /nfs/dbraw/zinc/40/21/68/386402168.db2.gz XCZZUMYBZWXVEW-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000290156617 386402172 /nfs/dbraw/zinc/40/21/72/386402172.db2.gz XCZZUMYBZWXVEW-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO CCOC1CC([N@H+](C)CC(=O)OC)C1 ZINC000347443689 386406404 /nfs/dbraw/zinc/40/64/04/386406404.db2.gz GDPKPNPHNUVHNF-UHFFFAOYSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC1CC([N@@H+](C)CC(=O)OC)C1 ZINC000347443689 386406411 /nfs/dbraw/zinc/40/64/11/386406411.db2.gz GDPKPNPHNUVHNF-UHFFFAOYSA-N 1 2 201.266 0.659 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000347448153 386406932 /nfs/dbraw/zinc/40/69/32/386406932.db2.gz WCBMNFUUVRWBNU-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000347448153 386406933 /nfs/dbraw/zinc/40/69/33/386406933.db2.gz WCBMNFUUVRWBNU-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO C[C@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000299071180 386408846 /nfs/dbraw/zinc/40/88/46/386408846.db2.gz WFHXYONYYPWVQS-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000336708039 386413659 /nfs/dbraw/zinc/41/36/59/386413659.db2.gz JIOHKUDQDGEUCX-LLVKDONJSA-N 1 2 249.318 0.110 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000336708039 386413668 /nfs/dbraw/zinc/41/36/68/386413668.db2.gz JIOHKUDQDGEUCX-LLVKDONJSA-N 1 2 249.318 0.110 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1cncnc1OC ZINC000648038592 386451812 /nfs/dbraw/zinc/45/18/12/386451812.db2.gz BOSZWMZPLIVQEQ-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1cncnc1OC ZINC000648038592 386451815 /nfs/dbraw/zinc/45/18/15/386451815.db2.gz BOSZWMZPLIVQEQ-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO CC(C)N1CC[C@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000647933910 386419120 /nfs/dbraw/zinc/41/91/20/386419120.db2.gz NGTUSVVAGUWMLP-LBPRGKRZSA-N 1 2 248.330 0.777 20 0 BCADLO COc1ccc(CC(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000339424668 386427217 /nfs/dbraw/zinc/42/72/17/386427217.db2.gz SOXBVFKAZBUNGG-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134385698 386428307 /nfs/dbraw/zinc/42/83/07/386428307.db2.gz UPONKWPVSRYWDU-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134385698 386428310 /nfs/dbraw/zinc/42/83/10/386428310.db2.gz UPONKWPVSRYWDU-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO COC[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000277405216 386432004 /nfs/dbraw/zinc/43/20/04/386432004.db2.gz LGMBYBFYQZCLSQ-MOVJSRMASA-N 1 2 223.276 0.916 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)CCCCO)n1 ZINC000336715154 386434122 /nfs/dbraw/zinc/43/41/22/386434122.db2.gz UITBZGSPGASNRA-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCCO)n1 ZINC000336715154 386434129 /nfs/dbraw/zinc/43/41/29/386434129.db2.gz UITBZGSPGASNRA-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCO)n1 ZINC000336712039 386436270 /nfs/dbraw/zinc/43/62/70/386436270.db2.gz QJPUPHYSSUPAFI-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000336712039 386436273 /nfs/dbraw/zinc/43/62/73/386436273.db2.gz QJPUPHYSSUPAFI-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(C)n1 ZINC000299569640 386467942 /nfs/dbraw/zinc/46/79/42/386467942.db2.gz AOKROOMVYWKHSH-VIFPVBQESA-N 1 2 248.290 0.827 20 0 BCADLO CCCn1cc(C[NH+]2CC(C)(O)C2)cn1 ZINC000639254411 386469991 /nfs/dbraw/zinc/46/99/91/386469991.db2.gz SEYAQWBYEBDASQ-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO C[C@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290771143 386473117 /nfs/dbraw/zinc/47/31/17/386473117.db2.gz SHMPLHLRXGBQFL-QMMMGPOBSA-N 1 2 234.259 0.837 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399276275 386475110 /nfs/dbraw/zinc/47/51/10/386475110.db2.gz YFYWAMSPRXKVRF-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399276275 386475116 /nfs/dbraw/zinc/47/51/16/386475116.db2.gz YFYWAMSPRXKVRF-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1nccn1C ZINC000135027528 386478391 /nfs/dbraw/zinc/47/83/91/386478391.db2.gz VTPRNGWCSHXHLA-SECBINFHSA-N 1 2 238.335 0.985 20 0 BCADLO Cn1cc(CNC(=O)CCn2cc[nH+]c2)cn1 ZINC000299693622 386481175 /nfs/dbraw/zinc/48/11/75/386481175.db2.gz XDAWXZQKVGFQAJ-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO Cn1nccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290879805 386482922 /nfs/dbraw/zinc/48/29/22/386482922.db2.gz DMSHPBJKISANCQ-UHFFFAOYSA-N 1 2 231.259 0.273 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000340642599 386484873 /nfs/dbraw/zinc/48/48/73/386484873.db2.gz LEEYFEARDWRYKI-OPRDCNLKSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@@H](C(=O)N[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000340642600 386484960 /nfs/dbraw/zinc/48/49/60/386484960.db2.gz LEEYFEARDWRYKI-UTLUCORTSA-N 1 2 212.293 0.232 20 0 BCADLO CCO[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266987181 386485066 /nfs/dbraw/zinc/48/50/66/386485066.db2.gz SXPZITFEMGUNFV-MRVPVSSYSA-N 1 2 211.265 0.759 20 0 BCADLO CC(C)CONC(=O)N1CCn2c[nH+]cc2C1 ZINC000290900586 386486166 /nfs/dbraw/zinc/48/61/66/386486166.db2.gz CIGVDUUFQCXTPI-UHFFFAOYSA-N 1 2 238.291 0.996 20 0 BCADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)n1cccn1 ZINC000290927580 386488788 /nfs/dbraw/zinc/48/87/88/386488788.db2.gz LSSYNOSXKSWRSX-SNVBAGLBSA-N 1 2 245.286 0.683 20 0 BCADLO O=C([C@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290937223 386489041 /nfs/dbraw/zinc/48/90/41/386489041.db2.gz NRBHIVIYADYBDO-SNVBAGLBSA-N 1 2 221.260 0.404 20 0 BCADLO Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)n1 ZINC000062330552 386507001 /nfs/dbraw/zinc/50/70/01/386507001.db2.gz MODRTZPGQXFLFN-UHFFFAOYSA-N 1 2 243.270 0.516 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn[nH]1 ZINC000647971778 386508839 /nfs/dbraw/zinc/50/88/39/386508839.db2.gz XUAVDBGMYUXMBZ-AOOOYVTPSA-N 1 2 220.276 0.543 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cnn[nH]1 ZINC000647971778 386508847 /nfs/dbraw/zinc/50/88/47/386508847.db2.gz XUAVDBGMYUXMBZ-AOOOYVTPSA-N 1 2 220.276 0.543 20 0 BCADLO Cc1cnc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000267207945 386508954 /nfs/dbraw/zinc/50/89/54/386508954.db2.gz MKJITTNTLVYGGZ-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)CC ZINC000519622652 386509455 /nfs/dbraw/zinc/50/94/55/386509455.db2.gz IWADSSLJZNYWAS-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)CC ZINC000519622652 386509459 /nfs/dbraw/zinc/50/94/59/386509459.db2.gz IWADSSLJZNYWAS-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO C[C@H](CNC(=O)Cn1cccn1)Cn1cc[nH+]c1 ZINC000267211286 386513111 /nfs/dbraw/zinc/51/31/11/386513111.db2.gz ZBJPDNYQCDLDFH-LLVKDONJSA-N 1 2 247.302 0.532 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)n1 ZINC000336733289 386513713 /nfs/dbraw/zinc/51/37/13/386513713.db2.gz GNUJAEXOXFDQHG-RQJHMYQMSA-N 1 2 226.280 0.505 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517396 /nfs/dbraw/zinc/51/73/96/386517396.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 1 2 208.309 0.887 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000227982070 386530293 /nfs/dbraw/zinc/53/02/93/386530293.db2.gz MWWMNCXGOITWEJ-ONGXEEELSA-N 1 2 225.292 0.348 20 0 BCADLO CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000339692215 386520974 /nfs/dbraw/zinc/52/09/74/386520974.db2.gz YPGDIHBZPPUDOB-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO COC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339693801 386522759 /nfs/dbraw/zinc/52/27/59/386522759.db2.gz DJQXIXSCDIHAMF-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339693804 386524472 /nfs/dbraw/zinc/52/44/72/386524472.db2.gz DJQXIXSCDIHAMF-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CC(O)(C2CC2)C1 ZINC000366403375 386455019 /nfs/dbraw/zinc/45/50/19/386455019.db2.gz VUYBMJJUZGHYMZ-UHFFFAOYSA-N 1 2 249.314 0.336 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)OC ZINC000336778579 386465342 /nfs/dbraw/zinc/46/53/42/386465342.db2.gz LSQFNYQIADJCTF-KXUCPTDWSA-N 1 2 231.292 0.332 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)C(C)(C)C)c[nH+]1 ZINC000278736614 386575574 /nfs/dbraw/zinc/57/55/74/386575574.db2.gz LLIZFDMRAKNSQL-VIFPVBQESA-N 1 2 225.292 0.855 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408424939 386576511 /nfs/dbraw/zinc/57/65/11/386576511.db2.gz YQBGSHNQIFHAOX-DTWKUNHWSA-N 1 2 238.328 0.487 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408424939 386576517 /nfs/dbraw/zinc/57/65/17/386576517.db2.gz YQBGSHNQIFHAOX-DTWKUNHWSA-N 1 2 238.328 0.487 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000267735670 386578227 /nfs/dbraw/zinc/57/82/27/386578227.db2.gz DVOAWZSIFOZKSI-PHIMTYICSA-N 1 2 245.282 0.871 20 0 BCADLO C[C@@H](O)CCC[NH+]1CCS(=O)CC1 ZINC000336643908 386579519 /nfs/dbraw/zinc/57/95/19/386579519.db2.gz LGNDXVDSASSVKN-SECBINFHSA-N 1 2 205.323 0.212 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000048921862 386582119 /nfs/dbraw/zinc/58/21/19/386582119.db2.gz GIDKXIDLWJZSES-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000048921862 386582127 /nfs/dbraw/zinc/58/21/27/386582127.db2.gz GIDKXIDLWJZSES-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267786357 386583569 /nfs/dbraw/zinc/58/35/69/386583569.db2.gz OQDJWFMNXITUCD-MRVPVSSYSA-N 1 2 222.248 0.251 20 0 BCADLO COC(=O)[C@@]1(F)CCN(Cc2c[nH+]cn2C)C1 ZINC000267786051 386584023 /nfs/dbraw/zinc/58/40/23/386584023.db2.gz IRYBWLJEGZESOD-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO Cn1c[nH+]cc1Cn1nnnc1C(C)(C)C ZINC000267824265 386588699 /nfs/dbraw/zinc/58/86/99/386588699.db2.gz YOOIQOONPPKJMM-UHFFFAOYSA-N 1 2 220.280 0.752 20 0 BCADLO Cc1nc(N(C)Cc2nc[nH]n2)cc[nH+]1 ZINC000267823089 386588827 /nfs/dbraw/zinc/58/88/27/386588827.db2.gz XZWNSZDIQTYWJN-UHFFFAOYSA-N 1 2 204.237 0.540 20 0 BCADLO COC[C@H](CNc1cc(CO)cc[nH+]1)OC ZINC000300367706 386592803 /nfs/dbraw/zinc/59/28/03/386592803.db2.gz AKWAMCAKQHPJBK-JTQLQIEISA-N 1 2 226.276 0.647 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+](CCO)C1CC1 ZINC000331444767 386595367 /nfs/dbraw/zinc/59/53/67/386595367.db2.gz FSTWKOFHXLYJQD-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+](CCO)C1CC1 ZINC000331444767 386595370 /nfs/dbraw/zinc/59/53/70/386595370.db2.gz FSTWKOFHXLYJQD-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)CC2(CCC2)O1 ZINC000335455030 386531401 /nfs/dbraw/zinc/53/14/01/386531401.db2.gz MKKVGVTUGPVZAU-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC2(CCC2)O1 ZINC000335455030 386531406 /nfs/dbraw/zinc/53/14/06/386531406.db2.gz MKKVGVTUGPVZAU-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCF ZINC000267352562 386532801 /nfs/dbraw/zinc/53/28/01/386532801.db2.gz AQNGXGUHXMNFST-SECBINFHSA-N 1 2 249.311 0.551 20 0 BCADLO O=C1CC[N@H+](Cc2cc(F)ncc2F)CCN1 ZINC000291392478 386539511 /nfs/dbraw/zinc/53/95/11/386539511.db2.gz CTLUTINYYRBCGY-UHFFFAOYSA-N 1 2 241.241 0.682 20 0 BCADLO O=C1CC[N@@H+](Cc2cc(F)ncc2F)CCN1 ZINC000291392478 386539517 /nfs/dbraw/zinc/53/95/17/386539517.db2.gz CTLUTINYYRBCGY-UHFFFAOYSA-N 1 2 241.241 0.682 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291389364 386539883 /nfs/dbraw/zinc/53/98/83/386539883.db2.gz BHBAOPCHHKSDBK-ZJUUUORDSA-N 1 2 221.260 0.445 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291389364 386539890 /nfs/dbraw/zinc/53/98/90/386539890.db2.gz BHBAOPCHHKSDBK-ZJUUUORDSA-N 1 2 221.260 0.445 20 0 BCADLO O=C(Nc1nnc2ccccn21)[C@H]1CSC[NH2+]1 ZINC000262637524 386539997 /nfs/dbraw/zinc/53/99/97/386539997.db2.gz HDJIHTQEDTTZDO-SSDOTTSWSA-N 1 2 249.299 0.330 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)nn1C ZINC000417685137 386549698 /nfs/dbraw/zinc/54/96/98/386549698.db2.gz QXKPXTTXNNHVRT-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)nn1C ZINC000417685137 386549702 /nfs/dbraw/zinc/54/97/02/386549702.db2.gz QXKPXTTXNNHVRT-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000267544083 386550771 /nfs/dbraw/zinc/55/07/71/386550771.db2.gz WEVAYULEOGRDQA-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000267544083 386550777 /nfs/dbraw/zinc/55/07/77/386550777.db2.gz WEVAYULEOGRDQA-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335464940 386550802 /nfs/dbraw/zinc/55/08/02/386550802.db2.gz YBNGAYFQJBEHFV-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335464940 386550806 /nfs/dbraw/zinc/55/08/06/386550806.db2.gz YBNGAYFQJBEHFV-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000047577341 386553076 /nfs/dbraw/zinc/55/30/76/386553076.db2.gz PYWUEDBAIUXLBI-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(CC)nc1 ZINC000414454441 386554605 /nfs/dbraw/zinc/55/46/05/386554605.db2.gz QRFACORWIYZPRD-UHFFFAOYSA-N 1 2 236.319 0.736 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(CC)nc1 ZINC000414454441 386554608 /nfs/dbraw/zinc/55/46/08/386554608.db2.gz QRFACORWIYZPRD-UHFFFAOYSA-N 1 2 236.319 0.736 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000267585370 386556001 /nfs/dbraw/zinc/55/60/01/386556001.db2.gz MGULAPPNTDCQPW-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000267585370 386556005 /nfs/dbraw/zinc/55/60/05/386556005.db2.gz MGULAPPNTDCQPW-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO CCN1C[C@H](Nc2cc(C)[nH+]cn2)CC1=O ZINC000391651665 386558623 /nfs/dbraw/zinc/55/86/23/386558623.db2.gz XKRCPGHRBFPCIH-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO Cc1cc(N2CCN(C3CC3)C(=O)C2)nc[nH+]1 ZINC000336937697 386559412 /nfs/dbraw/zinc/55/94/12/386559412.db2.gz VNURZFNQUYLVGI-UHFFFAOYSA-N 1 2 232.287 0.596 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(CCO)CC1CC1 ZINC000339762962 386597574 /nfs/dbraw/zinc/59/75/74/386597574.db2.gz MXMUDLXBEMDPFY-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO C=Cn1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000193607867 386562087 /nfs/dbraw/zinc/56/20/87/386562087.db2.gz VHJPWVJSLWTXTG-SNVBAGLBSA-N 1 2 220.276 0.433 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000193607867 386562097 /nfs/dbraw/zinc/56/20/97/386562097.db2.gz VHJPWVJSLWTXTG-SNVBAGLBSA-N 1 2 220.276 0.433 20 0 BCADLO CO[C@](C)(C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000291648595 386563419 /nfs/dbraw/zinc/56/34/19/386563419.db2.gz IARUYFBTLXMXQS-NSHDSACASA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1C[N@H+](C/C=C/c2ccncc2)CC(=O)N1 ZINC000335407812 386569742 /nfs/dbraw/zinc/56/97/42/386569742.db2.gz VTLOTUWUWPQINC-VUDBWIFFSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@H]1C[N@@H+](C/C=C/c2ccncc2)CC(=O)N1 ZINC000335407812 386569747 /nfs/dbraw/zinc/56/97/47/386569747.db2.gz VTLOTUWUWPQINC-VUDBWIFFSA-N 1 2 231.299 0.915 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cnn(C)c2)C1 ZINC000267675656 386572863 /nfs/dbraw/zinc/57/28/63/386572863.db2.gz PRKBHOUTPRDWFA-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000267675656 386572870 /nfs/dbraw/zinc/57/28/70/386572870.db2.gz PRKBHOUTPRDWFA-LLVKDONJSA-N 1 2 241.266 0.507 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CSC[NH2+]2)s1 ZINC000136314509 386573630 /nfs/dbraw/zinc/57/36/30/386573630.db2.gz TVPZVIDCDUASJD-YFKPBYRVSA-N 1 2 230.318 0.448 20 0 BCADLO CN(C)[C@H](C(=O)N1CCCO1)c1c[nH+]cn1C ZINC000328768200 386619759 /nfs/dbraw/zinc/61/97/59/386619759.db2.gz HXQXFPBGGLABBA-JTQLQIEISA-N 1 2 238.291 0.187 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cnc(CC)nc2)C1 ZINC000414465367 386622916 /nfs/dbraw/zinc/62/29/16/386622916.db2.gz XFAAKEFOGHACMD-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccno1 ZINC000268474456 386655491 /nfs/dbraw/zinc/65/54/91/386655491.db2.gz IZPKMFOKJPZSAS-UHFFFAOYSA-N 1 2 211.265 0.760 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccno1 ZINC000268474456 386655494 /nfs/dbraw/zinc/65/54/94/386655494.db2.gz IZPKMFOKJPZSAS-UHFFFAOYSA-N 1 2 211.265 0.760 20 0 BCADLO CNC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000644933869 386623531 /nfs/dbraw/zinc/62/35/31/386623531.db2.gz XTTVKMRZXMGLEJ-UHFFFAOYSA-N 1 2 205.261 0.533 20 0 BCADLO CNC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000644933869 386623536 /nfs/dbraw/zinc/62/35/36/386623536.db2.gz XTTVKMRZXMGLEJ-UHFFFAOYSA-N 1 2 205.261 0.533 20 0 BCADLO CC(C)(C)c1nc(=NC(=O)NCC[NH3+])s[nH]1 ZINC000415137971 386632028 /nfs/dbraw/zinc/63/20/28/386632028.db2.gz UORWQBVQTPTRAK-UHFFFAOYSA-N 1 2 243.336 0.338 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1CF)N1CCNC1=O ZINC000328871616 386637317 /nfs/dbraw/zinc/63/73/17/386637317.db2.gz QCIPFFAZRFZAOA-MRVPVSSYSA-N 1 2 229.255 0.177 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N1CCNC1=O ZINC000328871616 386637327 /nfs/dbraw/zinc/63/73/27/386637327.db2.gz QCIPFFAZRFZAOA-MRVPVSSYSA-N 1 2 229.255 0.177 20 0 BCADLO CO[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000279180066 386642060 /nfs/dbraw/zinc/64/20/60/386642060.db2.gz BIKVLZNXZJCMCX-NSHDSACASA-N 1 2 237.303 0.804 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000119855064 386647763 /nfs/dbraw/zinc/64/77/63/386647763.db2.gz GCRUQHJTKMHBBJ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000119855064 386647771 /nfs/dbraw/zinc/64/77/71/386647771.db2.gz GCRUQHJTKMHBBJ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1=O ZINC000337201074 386649929 /nfs/dbraw/zinc/64/99/29/386649929.db2.gz FPPZBXOAVPFWRT-GHMZBOCLSA-N 1 2 228.336 0.556 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1=O ZINC000337201074 386649935 /nfs/dbraw/zinc/64/99/35/386649935.db2.gz FPPZBXOAVPFWRT-GHMZBOCLSA-N 1 2 228.336 0.556 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000279219366 386650014 /nfs/dbraw/zinc/65/00/14/386650014.db2.gz OVCVEYGDZSKKFI-MWLCHTKSSA-N 1 2 237.303 0.680 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000279219366 386650018 /nfs/dbraw/zinc/65/00/18/386650018.db2.gz OVCVEYGDZSKKFI-MWLCHTKSSA-N 1 2 237.303 0.680 20 0 BCADLO CCn1ccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000335513714 386650079 /nfs/dbraw/zinc/65/00/79/386650079.db2.gz IIJKEOXQHJSVEW-UHFFFAOYSA-N 1 2 248.330 0.823 20 0 BCADLO Cn1c[nH+]cc1[C@H]1NC(=O)[C@@H]2CSCCN21 ZINC000328933785 386650089 /nfs/dbraw/zinc/65/00/89/386650089.db2.gz BYLNATCKQBOVDX-IUCAKERBSA-N 1 2 238.316 0.806 20 0 BCADLO CC[C@H](COC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279210830 386650624 /nfs/dbraw/zinc/65/06/24/386650624.db2.gz NVXNDFDRVKDWPT-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO [NH3+][C@H](C(=O)N1CCSCC1)c1cscn1 ZINC000335488419 386605604 /nfs/dbraw/zinc/60/56/04/386605604.db2.gz ZPUNFMVVWGJMEL-QMMMGPOBSA-N 1 2 243.357 0.718 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c(C)[nH+]1 ZINC000268000578 386606438 /nfs/dbraw/zinc/60/64/38/386606438.db2.gz MNQVDFSXYJFNKR-JTQLQIEISA-N 1 2 233.271 0.916 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCSCC1 ZINC000278959211 386611068 /nfs/dbraw/zinc/61/10/68/386611068.db2.gz WMXBMJCTPABHKQ-UHFFFAOYSA-N 1 2 225.317 0.836 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCC1 ZINC000329131236 386613771 /nfs/dbraw/zinc/61/37/71/386613771.db2.gz AECLLXNFKGJKJI-UHFFFAOYSA-N 1 2 220.276 0.000 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCC1 ZINC000329131236 386613775 /nfs/dbraw/zinc/61/37/75/386613775.db2.gz AECLLXNFKGJKJI-UHFFFAOYSA-N 1 2 220.276 0.000 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493908 386613741 /nfs/dbraw/zinc/61/37/41/386613741.db2.gz ZUMNSFHQXFZKLO-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005587 386682054 /nfs/dbraw/zinc/68/20/54/386682054.db2.gz RGLDGEFMTUXRCV-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005587 386682060 /nfs/dbraw/zinc/68/20/60/386682060.db2.gz RGLDGEFMTUXRCV-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1cncc2nncn21 ZINC000428121331 386660976 /nfs/dbraw/zinc/66/09/76/386660976.db2.gz OESMYGNOJILANR-UHFFFAOYSA-N 1 2 229.247 0.484 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCc3occc3C2)nc1=O ZINC000329405889 386664503 /nfs/dbraw/zinc/66/45/03/386664503.db2.gz BXLIKUZVLNXSES-UHFFFAOYSA-N 1 2 248.286 0.650 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCc3occc3C2)nc1=O ZINC000329405889 386664509 /nfs/dbraw/zinc/66/45/09/386664509.db2.gz BXLIKUZVLNXSES-UHFFFAOYSA-N 1 2 248.286 0.650 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)ncn1 ZINC000292405959 386664738 /nfs/dbraw/zinc/66/47/38/386664738.db2.gz JWOJJQVCEIXRRX-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)ncn1 ZINC000292405959 386664744 /nfs/dbraw/zinc/66/47/44/386664744.db2.gz JWOJJQVCEIXRRX-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000279358740 386671360 /nfs/dbraw/zinc/67/13/60/386671360.db2.gz KCFNQJWGTBERFO-GZMMTYOYSA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000279358740 386671366 /nfs/dbraw/zinc/67/13/66/386671366.db2.gz KCFNQJWGTBERFO-GZMMTYOYSA-N 1 2 239.319 0.784 20 0 BCADLO CN(CCC[NH+]1CCCC1)Cc1n[nH]c(=O)[nH]1 ZINC000337241995 386672411 /nfs/dbraw/zinc/67/24/11/386672411.db2.gz GXEYFPVQUUOQJO-UHFFFAOYSA-N 1 2 239.323 0.428 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1cc(C)cn1 ZINC000330364019 386673200 /nfs/dbraw/zinc/67/32/00/386673200.db2.gz BYGBLPRKRILLIJ-NSHDSACASA-N 1 2 236.319 0.402 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1cc(C)cn1 ZINC000330364019 386673208 /nfs/dbraw/zinc/67/32/08/386673208.db2.gz BYGBLPRKRILLIJ-NSHDSACASA-N 1 2 236.319 0.402 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000268655671 386675563 /nfs/dbraw/zinc/67/55/63/386675563.db2.gz XEIWKRIHKAVUKV-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO COC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC[C@H]1C ZINC000337231516 386681825 /nfs/dbraw/zinc/68/18/25/386681825.db2.gz IYEAFFVWMKPEDA-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)N(C)CC[N@H+]1CCOC[C@H]1C ZINC000337231516 386681832 /nfs/dbraw/zinc/68/18/32/386681832.db2.gz IYEAFFVWMKPEDA-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCOC[C@H]1C ZINC000337231516 386681838 /nfs/dbraw/zinc/68/18/38/386681838.db2.gz IYEAFFVWMKPEDA-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCOC[C@H]1C ZINC000337231516 386681844 /nfs/dbraw/zinc/68/18/44/386681844.db2.gz IYEAFFVWMKPEDA-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)Cn1cnnn1 ZINC000425587963 386658255 /nfs/dbraw/zinc/65/82/55/386658255.db2.gz PFCAXLAVQYLZMP-UHFFFAOYSA-N 1 2 232.247 0.324 20 0 BCADLO Cn1cc[nH+]c1CN1CCN(CC(N)=O)CC1 ZINC000330418262 386710874 /nfs/dbraw/zinc/71/08/74/386710874.db2.gz FFFCZZXUMIDPOF-UHFFFAOYSA-N 1 2 237.307 0.073 20 0 BCADLO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)C(=O)OC ZINC000192857110 386687255 /nfs/dbraw/zinc/68/72/55/386687255.db2.gz RROHCFYIMVTZRR-MNOVXSKESA-N 1 2 245.319 0.723 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)C(=O)OC ZINC000192856343 386688976 /nfs/dbraw/zinc/68/89/76/386688976.db2.gz ZMHFQEMMBAKAPF-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000330435225 386695700 /nfs/dbraw/zinc/69/57/00/386695700.db2.gz ASDSRNHRRZJLQV-VHSXEESVSA-N 1 2 239.319 0.628 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000292651495 386705283 /nfs/dbraw/zinc/70/52/83/386705283.db2.gz UQOGSFPSTHUWSU-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ncn1 ZINC000292665502 386706272 /nfs/dbraw/zinc/70/62/72/386706272.db2.gz BHHFJDFOUXSUQC-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ncn1 ZINC000292665502 386706278 /nfs/dbraw/zinc/70/62/78/386706278.db2.gz BHHFJDFOUXSUQC-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO c1[nH]nnc1CCN1CC[NH+](C2CC2)CC1 ZINC000647960740 386730454 /nfs/dbraw/zinc/73/04/54/386730454.db2.gz GJEAVQZIUDFCIR-UHFFFAOYSA-N 1 2 221.308 0.127 20 0 BCADLO CCO[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330478533 386730909 /nfs/dbraw/zinc/73/09/09/386730909.db2.gz XZIUNKIVMZUHFL-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N(CCO)CC(F)F ZINC000527016573 386733668 /nfs/dbraw/zinc/73/36/68/386733668.db2.gz HYVYFVIZTGKKNR-UHFFFAOYSA-N 1 2 247.245 0.049 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(C)c1C ZINC000269007363 386734082 /nfs/dbraw/zinc/73/40/82/386734082.db2.gz LQBXHOXVUFOHDY-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnn(C)c1C ZINC000269007363 386734085 /nfs/dbraw/zinc/73/40/85/386734085.db2.gz LQBXHOXVUFOHDY-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000330489692 386736875 /nfs/dbraw/zinc/73/68/75/386736875.db2.gz KZACKILAWDCMPG-SKDRFNHKSA-N 1 2 243.303 0.871 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000279641783 386713141 /nfs/dbraw/zinc/71/31/41/386713141.db2.gz JJWVFWVWNSNTIJ-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000279641783 386713147 /nfs/dbraw/zinc/71/31/47/386713147.db2.gz JJWVFWVWNSNTIJ-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191927440 386717421 /nfs/dbraw/zinc/71/74/21/386717421.db2.gz CZDKDWDKCQPTQH-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191927440 386717426 /nfs/dbraw/zinc/71/74/26/386717426.db2.gz CZDKDWDKCQPTQH-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000639261277 386719310 /nfs/dbraw/zinc/71/93/10/386719310.db2.gz MIKSAUBCWFVDFQ-UHFFFAOYSA-N 1 2 246.318 0.497 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000639261277 386719319 /nfs/dbraw/zinc/71/93/19/386719319.db2.gz MIKSAUBCWFVDFQ-UHFFFAOYSA-N 1 2 246.318 0.497 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000248007698 386740153 /nfs/dbraw/zinc/74/01/53/386740153.db2.gz OWMOXCSNJDKMAU-SECBINFHSA-N 1 2 224.308 0.329 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000248007698 386740156 /nfs/dbraw/zinc/74/01/56/386740156.db2.gz OWMOXCSNJDKMAU-SECBINFHSA-N 1 2 224.308 0.329 20 0 BCADLO C[C@@H]1OCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000268916344 386721275 /nfs/dbraw/zinc/72/12/75/386721275.db2.gz UXOQQJANEJULQW-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000248443973 386722208 /nfs/dbraw/zinc/72/22/08/386722208.db2.gz FTFLJWFRBNANFH-KWQFWETISA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CC[C@](C)(O)C2)n1 ZINC000248443973 386722214 /nfs/dbraw/zinc/72/22/14/386722214.db2.gz FTFLJWFRBNANFH-KWQFWETISA-N 1 2 241.291 0.734 20 0 BCADLO COC(=O)[C@@H](CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000292793368 386726676 /nfs/dbraw/zinc/72/66/76/386726676.db2.gz YTYFJTMBFZWFLS-UFUPEUMYSA-N 1 2 241.222 0.050 20 0 BCADLO c1cn2c([nH+]1)CN(C[C@@H]1CCCO1)CC2 ZINC000334148548 386745125 /nfs/dbraw/zinc/74/51/25/386745125.db2.gz YUEIATSHNKTSEO-JTQLQIEISA-N 1 2 207.277 0.878 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)cnn1 ZINC000329643304 386752258 /nfs/dbraw/zinc/75/22/58/386752258.db2.gz IFKSVZSAAKNPRD-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CS[C@@H](CO)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000269156256 386758372 /nfs/dbraw/zinc/75/83/72/386758372.db2.gz NAXHAGALWXDEBJ-RCOVLWMOSA-N 1 2 243.332 0.560 20 0 BCADLO O=C(CC1CCOCC1)Nc1cc[nH+]cc1O ZINC000330547543 386761960 /nfs/dbraw/zinc/76/19/60/386761960.db2.gz LHBSVBGWYBONKL-UHFFFAOYSA-N 1 2 236.271 0.964 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000293051105 386770208 /nfs/dbraw/zinc/77/02/08/386770208.db2.gz FUYRVRONXZQUPQ-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2cocn2)CN1C1CC1 ZINC000192322449 386763927 /nfs/dbraw/zinc/76/39/27/386763927.db2.gz QBDXBZUYWYKWAU-MRVPVSSYSA-N 1 2 221.260 0.528 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000293051105 386770204 /nfs/dbraw/zinc/77/02/04/386770204.db2.gz FUYRVRONXZQUPQ-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCNC(=O)N(C)C ZINC000348925385 386767852 /nfs/dbraw/zinc/76/78/52/386767852.db2.gz CRHGSLLDJHUHKW-VIFPVBQESA-N 1 2 245.323 0.141 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCNC(=O)N(C)C ZINC000348925385 386767856 /nfs/dbraw/zinc/76/78/56/386767856.db2.gz CRHGSLLDJHUHKW-VIFPVBQESA-N 1 2 245.323 0.141 20 0 BCADLO C[N@H+](Cc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000330560142 386768922 /nfs/dbraw/zinc/76/89/22/386768922.db2.gz BAORRCQHVAHCTR-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000330560142 386768929 /nfs/dbraw/zinc/76/89/29/386768929.db2.gz BAORRCQHVAHCTR-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CCC2)[nH]1 ZINC000336665293 386769235 /nfs/dbraw/zinc/76/92/35/386769235.db2.gz DEWBBQDVBDDYDS-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CCC2)[nH]1 ZINC000336665293 386769237 /nfs/dbraw/zinc/76/92/37/386769237.db2.gz DEWBBQDVBDDYDS-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000122273333 386743472 /nfs/dbraw/zinc/74/34/72/386743472.db2.gz RCEWZBSQFAAHSN-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000122273333 386743479 /nfs/dbraw/zinc/74/34/79/386743479.db2.gz RCEWZBSQFAAHSN-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO Cc1ccncc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000330509580 386744449 /nfs/dbraw/zinc/74/44/49/386744449.db2.gz DAHURQUIJBLKTM-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO CC(C)(C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000331261259 386791272 /nfs/dbraw/zinc/79/12/72/386791272.db2.gz CDJIPIJVDWZIJJ-UHFFFAOYSA-N 1 2 245.348 0.849 20 0 BCADLO O[C@@H]1C[NH+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000408443894 386774794 /nfs/dbraw/zinc/77/47/94/386774794.db2.gz RBELZGLKDSZJEJ-RKDXNWHRSA-N 1 2 224.260 0.089 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n(C)n1 ZINC000330527733 386775138 /nfs/dbraw/zinc/77/51/38/386775138.db2.gz XUQDZIDPGOYLDQ-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000639273694 386776590 /nfs/dbraw/zinc/77/65/90/386776590.db2.gz NEUCHBCHSHLMHY-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000639273694 386776592 /nfs/dbraw/zinc/77/65/92/386776592.db2.gz NEUCHBCHSHLMHY-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)CC2CCCC2)CCN1 ZINC000191226091 386778674 /nfs/dbraw/zinc/77/86/74/386778674.db2.gz UESXLXWRLHQVIE-NSHDSACASA-N 1 2 226.320 0.359 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)CC2CCCC2)CCN1 ZINC000191226091 386778679 /nfs/dbraw/zinc/77/86/79/386778679.db2.gz UESXLXWRLHQVIE-NSHDSACASA-N 1 2 226.320 0.359 20 0 BCADLO C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000357425013 386780587 /nfs/dbraw/zinc/78/05/87/386780587.db2.gz NWEVMKJQUNFBFB-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000357425013 386780592 /nfs/dbraw/zinc/78/05/92/386780592.db2.gz NWEVMKJQUNFBFB-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330541481 386784232 /nfs/dbraw/zinc/78/42/32/386784232.db2.gz ZZAFBORWOXNQLE-VIFPVBQESA-N 1 2 242.323 0.059 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330541481 386784237 /nfs/dbraw/zinc/78/42/37/386784237.db2.gz ZZAFBORWOXNQLE-VIFPVBQESA-N 1 2 242.323 0.059 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344873104 386787352 /nfs/dbraw/zinc/78/73/52/386787352.db2.gz JKDFOFJWEIADIZ-ONGXEEELSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344873104 386787358 /nfs/dbraw/zinc/78/73/58/386787358.db2.gz JKDFOFJWEIADIZ-ONGXEEELSA-N 1 2 225.267 0.690 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1O ZINC000395345164 386819655 /nfs/dbraw/zinc/81/96/55/386819655.db2.gz DKACPRZMPNREJD-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1O ZINC000395345164 386819659 /nfs/dbraw/zinc/81/96/59/386819659.db2.gz DKACPRZMPNREJD-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO C[C@H](CO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330624614 386823044 /nfs/dbraw/zinc/82/30/44/386823044.db2.gz GMMGGBHDXIVTNU-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366587120 386823042 /nfs/dbraw/zinc/82/30/42/386823042.db2.gz IHZWKUVUJMXCPT-SCVCMEIPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366587120 386823049 /nfs/dbraw/zinc/82/30/49/386823049.db2.gz IHZWKUVUJMXCPT-SCVCMEIPSA-N 1 2 242.319 0.130 20 0 BCADLO Cc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)no1 ZINC000330578785 386797558 /nfs/dbraw/zinc/79/75/58/386797558.db2.gz SLFUVNVXSNLIKY-SSDOTTSWSA-N 1 2 235.247 0.393 20 0 BCADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894622 386797841 /nfs/dbraw/zinc/79/78/41/386797841.db2.gz FBMWTXCNTIYSAI-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894622 386797847 /nfs/dbraw/zinc/79/78/47/386797847.db2.gz FBMWTXCNTIYSAI-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](C(=O)N1C[C@@H](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000357542965 386802880 /nfs/dbraw/zinc/80/28/80/386802880.db2.gz VMRCVSMSCHGHST-GRYCIOLGSA-N 1 2 239.363 0.489 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344862454 386804837 /nfs/dbraw/zinc/80/48/37/386804837.db2.gz HKYDJCDSHIAGIE-MNOVXSKESA-N 1 2 225.267 0.690 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344862454 386804843 /nfs/dbraw/zinc/80/48/43/386804843.db2.gz HKYDJCDSHIAGIE-MNOVXSKESA-N 1 2 225.267 0.690 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344862455 386805481 /nfs/dbraw/zinc/80/54/81/386805481.db2.gz HKYDJCDSHIAGIE-QWRGUYRKSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344862455 386805482 /nfs/dbraw/zinc/80/54/82/386805482.db2.gz HKYDJCDSHIAGIE-QWRGUYRKSA-N 1 2 225.267 0.690 20 0 BCADLO COc1ncccc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330593541 386805957 /nfs/dbraw/zinc/80/59/57/386805957.db2.gz AMLWMZYIBRDUQK-GHMZBOCLSA-N 1 2 238.287 0.282 20 0 BCADLO COc1ncccc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330593541 386805966 /nfs/dbraw/zinc/80/59/66/386805966.db2.gz AMLWMZYIBRDUQK-GHMZBOCLSA-N 1 2 238.287 0.282 20 0 BCADLO COC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330643478 386809020 /nfs/dbraw/zinc/80/90/20/386809020.db2.gz GSJPSAVZLIRIKZ-ZETCQYMHSA-N 1 2 232.305 0.502 20 0 BCADLO COC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000330643478 386809028 /nfs/dbraw/zinc/80/90/28/386809028.db2.gz GSJPSAVZLIRIKZ-ZETCQYMHSA-N 1 2 232.305 0.502 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(O)CCCC1 ZINC000330645512 386811055 /nfs/dbraw/zinc/81/10/55/386811055.db2.gz GIAFTUUVSNWAOP-SNVBAGLBSA-N 1 2 237.303 0.693 20 0 BCADLO CCCC[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000340921416 386811184 /nfs/dbraw/zinc/81/11/84/386811184.db2.gz VVMJECOSJWJKCC-UHFFFAOYSA-N 1 2 214.269 0.105 20 0 BCADLO CCCC[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000340921416 386811186 /nfs/dbraw/zinc/81/11/86/386811186.db2.gz VVMJECOSJWJKCC-UHFFFAOYSA-N 1 2 214.269 0.105 20 0 BCADLO c1cc(C[N@@H+]2CCn3ncnc3C2)n[nH]1 ZINC000329941622 386812632 /nfs/dbraw/zinc/81/26/32/386812632.db2.gz CHZDTQZITKFTPT-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO c1cc(C[N@H+]2CCn3ncnc3C2)n[nH]1 ZINC000329941622 386812636 /nfs/dbraw/zinc/81/26/36/386812636.db2.gz CHZDTQZITKFTPT-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO COC(=O)CCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330658344 386813118 /nfs/dbraw/zinc/81/31/18/386813118.db2.gz SEPGCPVEUPGBBK-MRVPVSSYSA-N 1 2 246.332 0.892 20 0 BCADLO COC(=O)CCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330658344 386813122 /nfs/dbraw/zinc/81/31/22/386813122.db2.gz SEPGCPVEUPGBBK-MRVPVSSYSA-N 1 2 246.332 0.892 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330654127 386814597 /nfs/dbraw/zinc/81/45/97/386814597.db2.gz ONELJPFLNMACNQ-DTWKUNHWSA-N 1 2 248.348 0.336 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330654127 386814604 /nfs/dbraw/zinc/81/46/04/386814604.db2.gz ONELJPFLNMACNQ-DTWKUNHWSA-N 1 2 248.348 0.336 20 0 BCADLO CC[C@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330680995 386828332 /nfs/dbraw/zinc/82/83/32/386828332.db2.gz ZDTLDGZJEBAZCZ-QMMMGPOBSA-N 1 2 225.292 0.574 20 0 BCADLO COc1ncncc1C[N@H+](C)[C@@H]1CCOC1 ZINC000648006725 386837078 /nfs/dbraw/zinc/83/70/78/386837078.db2.gz WYASHEHYZZUGHU-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO COc1ncncc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000648006725 386837086 /nfs/dbraw/zinc/83/70/86/386837086.db2.gz WYASHEHYZZUGHU-SNVBAGLBSA-N 1 2 223.276 0.706 20 0 BCADLO CO[C@]1(C)C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000330206003 386837340 /nfs/dbraw/zinc/83/73/40/386837340.db2.gz CWNFCIJWSQXRNO-GZMMTYOYSA-N 1 2 239.323 0.503 20 0 BCADLO CN(C)[C@H](C(=O)NCC1CC1)c1c[nH+]cn1C ZINC000280739037 386841431 /nfs/dbraw/zinc/84/14/31/386841431.db2.gz JGUFUDWVPRDTNB-NSHDSACASA-N 1 2 236.319 0.549 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ncn1 ZINC000330266796 386841672 /nfs/dbraw/zinc/84/16/72/386841672.db2.gz AGXIXUIRHLGBLT-LLVKDONJSA-N 1 2 247.302 0.199 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ncn1 ZINC000330266796 386841676 /nfs/dbraw/zinc/84/16/76/386841676.db2.gz AGXIXUIRHLGBLT-LLVKDONJSA-N 1 2 247.302 0.199 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000334784376 386842138 /nfs/dbraw/zinc/84/21/38/386842138.db2.gz KLEKOSWLIILUTI-SCZZXKLOSA-N 1 2 212.293 0.232 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000334784376 386842149 /nfs/dbraw/zinc/84/21/49/386842149.db2.gz KLEKOSWLIILUTI-SCZZXKLOSA-N 1 2 212.293 0.232 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1O ZINC000395482933 386844160 /nfs/dbraw/zinc/84/41/60/386844160.db2.gz LQDRJWRHTCPAGL-NXEZZACHSA-N 1 2 228.317 0.643 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1O ZINC000395482933 386844162 /nfs/dbraw/zinc/84/41/62/386844162.db2.gz LQDRJWRHTCPAGL-NXEZZACHSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(N2CC[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000301451406 386844365 /nfs/dbraw/zinc/84/43/65/386844365.db2.gz TZZFKTBVLSLARQ-SNVBAGLBSA-N 1 2 207.277 0.973 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1(CO)CCC1 ZINC000331406855 386847538 /nfs/dbraw/zinc/84/75/38/386847538.db2.gz UJXOWIGEBSBGDL-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO c1coc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331383693 386848173 /nfs/dbraw/zinc/84/81/73/386848173.db2.gz JVBVCJYFQCURLX-LBPRGKRZSA-N 1 2 248.286 0.772 20 0 BCADLO c1coc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331383693 386848177 /nfs/dbraw/zinc/84/81/77/386848177.db2.gz JVBVCJYFQCURLX-LBPRGKRZSA-N 1 2 248.286 0.772 20 0 BCADLO CC(C)N(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000341165544 386850377 /nfs/dbraw/zinc/85/03/77/386850377.db2.gz CQWZGSSLVSODAI-NSHDSACASA-N 1 2 238.335 0.890 20 0 BCADLO CN(CC1(O)CCC1)C(=O)CCn1cc[nH+]c1 ZINC000331409771 386852032 /nfs/dbraw/zinc/85/20/32/386852032.db2.gz UXIIDXKBGAPTNJ-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H](C(=O)NC1CC1)N(C)Cc1[nH+]ccn1C ZINC000331438321 386852776 /nfs/dbraw/zinc/85/27/76/386852776.db2.gz GZHFAEYZFRLFEN-VIFPVBQESA-N 1 2 236.319 0.519 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000331752156 386892343 /nfs/dbraw/zinc/89/23/43/386892343.db2.gz GFIJWYHDAJDSHO-AFPNSQJFSA-N 1 2 241.291 0.732 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000331752156 386892347 /nfs/dbraw/zinc/89/23/47/386892347.db2.gz GFIJWYHDAJDSHO-AFPNSQJFSA-N 1 2 241.291 0.732 20 0 BCADLO C[C@H](C(=O)NC1CC1)N(C)Cc1[nH+]ccn1C ZINC000331438320 386854725 /nfs/dbraw/zinc/85/47/25/386854725.db2.gz GZHFAEYZFRLFEN-SECBINFHSA-N 1 2 236.319 0.519 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331482262 386860135 /nfs/dbraw/zinc/86/01/35/386860135.db2.gz LXCFJNXQJFCAIV-MRVPVSSYSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331482262 386860138 /nfs/dbraw/zinc/86/01/38/386860138.db2.gz LXCFJNXQJFCAIV-MRVPVSSYSA-N 1 2 241.291 0.734 20 0 BCADLO CC(C)c1nnc(C[N@H+](CCO)C2CC2)[nH]1 ZINC000331505304 386862865 /nfs/dbraw/zinc/86/28/65/386862865.db2.gz OVFCFNGUVALMBP-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@@H+](CCO)C2CC2)[nH]1 ZINC000331505304 386862869 /nfs/dbraw/zinc/86/28/69/386862869.db2.gz OVFCFNGUVALMBP-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO Cc1nc(N2CC[C@@](C)(O)C2)nc(N(C)C)[nH+]1 ZINC000357930387 386866665 /nfs/dbraw/zinc/86/66/65/386866665.db2.gz NPRKHCIUFVQVRT-LLVKDONJSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@@](C)(O)C2)[nH+]1 ZINC000357930387 386866666 /nfs/dbraw/zinc/86/66/66/386866666.db2.gz NPRKHCIUFVQVRT-LLVKDONJSA-N 1 2 237.307 0.207 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335745897 386866960 /nfs/dbraw/zinc/86/69/60/386866960.db2.gz DNOSDYUDOJJFGS-CYBMUJFWSA-N 1 2 240.347 0.700 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425350675 386869734 /nfs/dbraw/zinc/86/97/34/386869734.db2.gz MIBZRJLUQUDGIU-SNVBAGLBSA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425350675 386869739 /nfs/dbraw/zinc/86/97/39/386869739.db2.gz MIBZRJLUQUDGIU-SNVBAGLBSA-N 1 2 238.291 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000335747566 386871197 /nfs/dbraw/zinc/87/11/97/386871197.db2.gz JKEGQGIFGZPXHG-UHFFFAOYSA-N 1 2 237.303 0.073 20 0 BCADLO C[NH+]1CCN(C(=O)CC2CCC(=O)CC2)CC1 ZINC000335749118 386872536 /nfs/dbraw/zinc/87/25/36/386872536.db2.gz QTDCBSKURLQVST-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCCc1nc(C[N@@H+]2CC[C@H](CO)C2)no1 ZINC000051887328 386872617 /nfs/dbraw/zinc/87/26/17/386872617.db2.gz FFHDEAROSSADOW-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCCc1nc(C[N@H+]2CC[C@H](CO)C2)no1 ZINC000051887328 386872623 /nfs/dbraw/zinc/87/26/23/386872623.db2.gz FFHDEAROSSADOW-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2CC(=O)N(C3CC3)C2)n1C ZINC000341267050 386873198 /nfs/dbraw/zinc/87/31/98/386873198.db2.gz XGKPZBYMJBWIOB-JTQLQIEISA-N 1 2 248.330 0.581 20 0 BCADLO CCN(C[C@@H](C)O)c1nc(C)[nH+]c(N(C)C)n1 ZINC000343250828 386876113 /nfs/dbraw/zinc/87/61/13/386876113.db2.gz NOUOYWLNFDJTTH-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO CCN(C[C@@H](C)O)c1nc(N(C)C)nc(C)[nH+]1 ZINC000343250828 386876118 /nfs/dbraw/zinc/87/61/18/386876118.db2.gz NOUOYWLNFDJTTH-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO CC[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293773680 386877222 /nfs/dbraw/zinc/87/72/22/386877222.db2.gz VOJCNVZIAZKYKN-NWALNABHSA-N 1 2 209.249 0.310 20 0 BCADLO Nc1nc(N2CC[C@@H](O)C2)[nH+]c2ccccc12 ZINC000301780334 386877970 /nfs/dbraw/zinc/87/79/70/386877970.db2.gz MUWCMWJQIXEYKG-MRVPVSSYSA-N 1 2 230.271 0.783 20 0 BCADLO Cc1occc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000334836343 386879386 /nfs/dbraw/zinc/87/93/86/386879386.db2.gz MVBOGXAFKGLYAQ-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO Cc1occc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000334836343 386879390 /nfs/dbraw/zinc/87/93/90/386879390.db2.gz MVBOGXAFKGLYAQ-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO CO[C@@](C)(C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331691871 386881506 /nfs/dbraw/zinc/88/15/06/386881506.db2.gz SUIZEHRWMRYNMY-LLVKDONJSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@@](C)(C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331691871 386881512 /nfs/dbraw/zinc/88/15/12/386881512.db2.gz SUIZEHRWMRYNMY-LLVKDONJSA-N 1 2 223.276 0.841 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)[nH]1 ZINC000330305761 386885907 /nfs/dbraw/zinc/88/59/07/386885907.db2.gz KYYUDJYAHDWUJA-SNVBAGLBSA-N 1 2 249.318 0.310 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)[nH]1 ZINC000330305761 386885913 /nfs/dbraw/zinc/88/59/13/386885913.db2.gz KYYUDJYAHDWUJA-SNVBAGLBSA-N 1 2 249.318 0.310 20 0 BCADLO CCOCCOC[C@H](O)CNc1cccc[nH+]1 ZINC000358053507 386886426 /nfs/dbraw/zinc/88/64/26/386886426.db2.gz XXKFWCCJNBRSHN-LLVKDONJSA-N 1 2 240.303 0.908 20 0 BCADLO Cc1noc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)n1 ZINC000330796854 386890545 /nfs/dbraw/zinc/89/05/45/386890545.db2.gz AIEBIPZLNSBNAL-SCZZXKLOSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1noc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)n1 ZINC000330796854 386890549 /nfs/dbraw/zinc/89/05/49/386890549.db2.gz AIEBIPZLNSBNAL-SCZZXKLOSA-N 1 2 241.291 0.350 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccnn1C ZINC000331833447 386913528 /nfs/dbraw/zinc/91/35/28/386913528.db2.gz KTIMJIUJMXKPLT-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccnn1C ZINC000331833447 386913531 /nfs/dbraw/zinc/91/35/31/386913531.db2.gz KTIMJIUJMXKPLT-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO O=C(COC(F)F)N1CCn2c[nH+]cc2C1 ZINC000358200191 386914206 /nfs/dbraw/zinc/91/42/06/386914206.db2.gz ZAVXTENQMANLKY-UHFFFAOYSA-N 1 2 231.202 0.465 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000367864208 386916492 /nfs/dbraw/zinc/91/64/92/386916492.db2.gz JSRZCARDZSBPRF-NSHDSACASA-N 1 2 232.299 0.261 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000367864208 386916499 /nfs/dbraw/zinc/91/64/99/386916499.db2.gz JSRZCARDZSBPRF-NSHDSACASA-N 1 2 232.299 0.261 20 0 BCADLO COC[C@H]([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000336762356 386918414 /nfs/dbraw/zinc/91/84/14/386918414.db2.gz LFDUUWYYJCRWCM-ZJUUUORDSA-N 1 2 231.292 0.191 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC1(O)CCCC1 ZINC000330902488 386920147 /nfs/dbraw/zinc/92/01/47/386920147.db2.gz SLAPOJFUAXAXKY-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO CC(C)c1nc(N2C[C@@H](O)C[C@H]2CO)cc[nH+]1 ZINC000302302170 386919000 /nfs/dbraw/zinc/91/90/00/386919000.db2.gz NIPKDGUZJATQBF-UWVGGRQHSA-N 1 2 237.303 0.532 20 0 BCADLO C[C@H]1OCC[C@@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000330817573 386896415 /nfs/dbraw/zinc/89/64/15/386896415.db2.gz DRPUNMBDTDCSQJ-ZYHUDNBSSA-N 1 2 237.303 0.957 20 0 BCADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331778657 386902275 /nfs/dbraw/zinc/90/22/75/386902275.db2.gz NGMBYEGDNQKARD-HQJQHLMTSA-N 1 2 240.307 0.804 20 0 BCADLO O=C([C@@H]1C[C@]12CCOC2)N1CCn2c[nH+]cc2C1 ZINC000358160383 386902930 /nfs/dbraw/zinc/90/29/30/386902930.db2.gz DIHLXCJJGAZREE-AAEUAGOBSA-N 1 2 247.298 0.652 20 0 BCADLO O=C([C@H]1C[C@@]12CCOC2)N1CCn2c[nH+]cc2C1 ZINC000358160387 386903471 /nfs/dbraw/zinc/90/34/71/386903471.db2.gz DIHLXCJJGAZREE-DGCLKSJQSA-N 1 2 247.298 0.652 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2C(=O)NCC[C@H]2C)n1C ZINC000341398919 386904048 /nfs/dbraw/zinc/90/40/48/386904048.db2.gz FAXNHQNDSGZOGB-KCJUWKMLSA-N 1 2 236.319 0.343 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C1CC(O)C1 ZINC000331794477 386906346 /nfs/dbraw/zinc/90/63/46/386906346.db2.gz QMTFEUJVDHLJAG-UHFFFAOYSA-N 1 2 228.271 0.203 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C1CC(O)C1 ZINC000331794477 386906351 /nfs/dbraw/zinc/90/63/51/386906351.db2.gz QMTFEUJVDHLJAG-UHFFFAOYSA-N 1 2 228.271 0.203 20 0 BCADLO Cn1nnc(CN2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000331862702 386919814 /nfs/dbraw/zinc/91/98/14/386919814.db2.gz CUHVTBXWYFFSGV-UHFFFAOYSA-N 1 2 247.306 0.313 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2(CO)CCC2)o1 ZINC000331797560 386907845 /nfs/dbraw/zinc/90/78/45/386907845.db2.gz REWRMKXERZFQLQ-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@H+](C)C2(CO)CCC2)o1 ZINC000331797560 386907848 /nfs/dbraw/zinc/90/78/48/386907848.db2.gz REWRMKXERZFQLQ-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO CCN(C[C@H](C)O)C(=O)CCc1c[nH+]cn1C ZINC000341409964 386908012 /nfs/dbraw/zinc/90/80/12/386908012.db2.gz UEYJCXBZZGWBBD-JTQLQIEISA-N 1 2 239.319 0.582 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000335766559 386908812 /nfs/dbraw/zinc/90/88/12/386908812.db2.gz SHXFJFFNUABJNT-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000335766559 386908816 /nfs/dbraw/zinc/90/88/16/386908816.db2.gz SHXFJFFNUABJNT-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331807082 386910810 /nfs/dbraw/zinc/91/08/10/386910810.db2.gz UAPXOWWZRUSUAY-UEJVZZJDSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331807082 386910813 /nfs/dbraw/zinc/91/08/13/386910813.db2.gz UAPXOWWZRUSUAY-UEJVZZJDSA-N 1 2 241.291 0.732 20 0 BCADLO Cc1cncc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000358242732 386920183 /nfs/dbraw/zinc/92/01/83/386920183.db2.gz BXODUJOIPSYCEL-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cncc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000358242732 386920187 /nfs/dbraw/zinc/92/01/87/386920187.db2.gz BXODUJOIPSYCEL-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000367960420 386921779 /nfs/dbraw/zinc/92/17/79/386921779.db2.gz ZIANSPCBQQDPCW-ZMLRMANQSA-N 1 2 249.314 0.851 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)NC(C)=O ZINC000358264895 386922912 /nfs/dbraw/zinc/92/29/12/386922912.db2.gz LJQRSNYVCKFMIM-MRVPVSSYSA-N 1 2 235.287 0.529 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000330896067 386923089 /nfs/dbraw/zinc/92/30/89/386923089.db2.gz LEPGVYUOZUCJSY-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000330896067 386923092 /nfs/dbraw/zinc/92/30/92/386923092.db2.gz LEPGVYUOZUCJSY-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000367976384 386923868 /nfs/dbraw/zinc/92/38/68/386923868.db2.gz KKESOCICPVRFIW-JFGNBEQYSA-N 1 2 249.314 0.851 20 0 BCADLO O=C(CC1(O)CCCC1)NCc1[nH]cc[nH+]1 ZINC000330969133 386931706 /nfs/dbraw/zinc/93/17/06/386931706.db2.gz MAQKLUKMLCBSGM-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000330967435 386932052 /nfs/dbraw/zinc/93/20/52/386932052.db2.gz BIASQSKCSOZKBT-LBPRGKRZSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nc(N2CCCN(C)C(=O)C2)cc[nH+]1 ZINC000302725701 386933769 /nfs/dbraw/zinc/93/37/69/386933769.db2.gz RVWNKNNYCYWBHM-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000330922341 386934094 /nfs/dbraw/zinc/93/40/94/386934094.db2.gz BFSAYWVSIRXWTB-VHSXEESVSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000330922341 386934099 /nfs/dbraw/zinc/93/40/99/386934099.db2.gz BFSAYWVSIRXWTB-VHSXEESVSA-N 1 2 223.276 0.984 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000331020160 386936341 /nfs/dbraw/zinc/93/63/41/386936341.db2.gz OLTRKJKWMKXENA-NSHDSACASA-N 1 2 225.292 0.406 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331986714 386937574 /nfs/dbraw/zinc/93/75/74/386937574.db2.gz GMQMCFLQAQMYQU-RKDXNWHRSA-N 1 2 237.259 0.225 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331986714 386937579 /nfs/dbraw/zinc/93/75/79/386937579.db2.gz GMQMCFLQAQMYQU-RKDXNWHRSA-N 1 2 237.259 0.225 20 0 BCADLO O=C(CCCn1cccn1)Nc1cc[nH+]cc1O ZINC000358349731 386938434 /nfs/dbraw/zinc/93/84/34/386938434.db2.gz HOYDDOIJPUOZSG-UHFFFAOYSA-N 1 2 246.270 0.825 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000331045173 386947889 /nfs/dbraw/zinc/94/78/89/386947889.db2.gz HKLOIXKRGIHZFG-MXWKQRLJSA-N 1 2 237.303 0.955 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000330988901 386940048 /nfs/dbraw/zinc/94/00/48/386940048.db2.gz MJIPJQPTRILGDO-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO c1[nH]nnc1SCCC[NH+]1CCOCC1 ZINC000330986346 386940672 /nfs/dbraw/zinc/94/06/72/386940672.db2.gz QDPRGGASVBPSBQ-UHFFFAOYSA-N 1 2 228.321 0.619 20 0 BCADLO c1n[nH]nc1SCCC[NH+]1CCOCC1 ZINC000330986346 386940677 /nfs/dbraw/zinc/94/06/77/386940677.db2.gz QDPRGGASVBPSBQ-UHFFFAOYSA-N 1 2 228.321 0.619 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000330988900 386941357 /nfs/dbraw/zinc/94/13/57/386941357.db2.gz MJIPJQPTRILGDO-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000367310369 386941518 /nfs/dbraw/zinc/94/15/18/386941518.db2.gz QMBDXEFAPDAXNB-NSHDSACASA-N 1 2 244.302 0.942 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000367310369 386941523 /nfs/dbraw/zinc/94/15/23/386941523.db2.gz QMBDXEFAPDAXNB-NSHDSACASA-N 1 2 244.302 0.942 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471447 386952365 /nfs/dbraw/zinc/95/23/65/386952365.db2.gz RAZZREHKELQJCO-GDPRMGEGSA-N 1 2 239.319 0.909 20 0 BCADLO CCC[N@@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000334824954 386956455 /nfs/dbraw/zinc/95/64/55/386956455.db2.gz JOHADMZZRUZSTE-GXSJLCMTSA-N 1 2 212.293 0.723 20 0 BCADLO CCC[N@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000334824954 386956457 /nfs/dbraw/zinc/95/64/57/386956457.db2.gz JOHADMZZRUZSTE-GXSJLCMTSA-N 1 2 212.293 0.723 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331080499 386957478 /nfs/dbraw/zinc/95/74/78/386957478.db2.gz XHEZJMDAOUAJPC-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331080499 386957481 /nfs/dbraw/zinc/95/74/81/386957481.db2.gz XHEZJMDAOUAJPC-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000332116426 386961407 /nfs/dbraw/zinc/96/14/07/386961407.db2.gz GHTCZZNZSWWWAY-CABZTGNLSA-N 1 2 244.310 0.450 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000332116426 386961409 /nfs/dbraw/zinc/96/14/09/386961409.db2.gz GHTCZZNZSWWWAY-CABZTGNLSA-N 1 2 244.310 0.450 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000368342229 386963452 /nfs/dbraw/zinc/96/34/52/386963452.db2.gz XYQACQUQLMDUKQ-URLYPYJESA-N 1 2 249.314 0.415 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000368342229 386963456 /nfs/dbraw/zinc/96/34/56/386963456.db2.gz XYQACQUQLMDUKQ-URLYPYJESA-N 1 2 249.314 0.415 20 0 BCADLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000332138423 386963890 /nfs/dbraw/zinc/96/38/90/386963890.db2.gz LNMAJCJHOJZCOU-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000332138423 386963896 /nfs/dbraw/zinc/96/38/96/386963896.db2.gz LNMAJCJHOJZCOU-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccnn1C ZINC000331106459 386964349 /nfs/dbraw/zinc/96/43/49/386964349.db2.gz GPXOOJXDQAASFK-UHFFFAOYSA-N 1 2 248.290 0.818 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCn3cnnc3C2)c1 ZINC000332254208 386967733 /nfs/dbraw/zinc/96/77/33/386967733.db2.gz SXARUROIHHYGSH-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1cnn(CC[N@H+]2CCn3cnnc3C2)c1 ZINC000332254208 386967737 /nfs/dbraw/zinc/96/77/37/386967737.db2.gz SXARUROIHHYGSH-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368409450 386968466 /nfs/dbraw/zinc/96/84/66/386968466.db2.gz DTKRCJMBGLQWBS-DTWKUNHWSA-N 1 2 224.264 0.086 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368409450 386968470 /nfs/dbraw/zinc/96/84/70/386968470.db2.gz DTKRCJMBGLQWBS-DTWKUNHWSA-N 1 2 224.264 0.086 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)on1 ZINC000330332889 386970695 /nfs/dbraw/zinc/97/06/95/386970695.db2.gz YERPDWCMAKPBNQ-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](O)C23CCCC3)n1 ZINC000330336167 386972186 /nfs/dbraw/zinc/97/21/86/386972186.db2.gz SETQNXVCLKDOEQ-VIFPVBQESA-N 1 2 237.307 0.090 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](O)C23CCCC3)n1 ZINC000330336167 386972191 /nfs/dbraw/zinc/97/21/91/386972191.db2.gz SETQNXVCLKDOEQ-VIFPVBQESA-N 1 2 237.307 0.090 20 0 BCADLO CO[C@@H](C)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332404106 386976200 /nfs/dbraw/zinc/97/62/00/386976200.db2.gz LFKCPGYJKIDOTI-AEJSXWLSSA-N 1 2 240.307 0.601 20 0 BCADLO CO[C@@H](C)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332404106 386976204 /nfs/dbraw/zinc/97/62/04/386976204.db2.gz LFKCPGYJKIDOTI-AEJSXWLSSA-N 1 2 240.307 0.601 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332408312 386976862 /nfs/dbraw/zinc/97/68/62/386976862.db2.gz MPOCRDJZENQDNE-QMMMGPOBSA-N 1 2 225.248 0.340 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332408312 386976867 /nfs/dbraw/zinc/97/68/67/386976867.db2.gz MPOCRDJZENQDNE-QMMMGPOBSA-N 1 2 225.248 0.340 20 0 BCADLO Cc1ccnc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000353022370 386977950 /nfs/dbraw/zinc/97/79/50/386977950.db2.gz LMYAOHZCQRJTNQ-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1ccnc(C[N@H+](C)C2(CO)CC2)n1 ZINC000353022370 386977953 /nfs/dbraw/zinc/97/79/53/386977953.db2.gz LMYAOHZCQRJTNQ-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(CO)C1 ZINC000332422816 386980134 /nfs/dbraw/zinc/98/01/34/386980134.db2.gz DDWQJHDWWPLVNI-UHFFFAOYSA-N 1 2 221.260 0.268 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000395203297 386985623 /nfs/dbraw/zinc/98/56/23/386985623.db2.gz SKJNKRHMZSGHLU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000395203297 386985629 /nfs/dbraw/zinc/98/56/29/386985629.db2.gz SKJNKRHMZSGHLU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)C1(C)COC1 ZINC000332495444 386985850 /nfs/dbraw/zinc/98/58/50/386985850.db2.gz USTBVZJHEVPOAE-UHFFFAOYSA-N 1 2 249.314 0.800 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528386448 386991121 /nfs/dbraw/zinc/99/11/21/386991121.db2.gz ICMYDRPIZZWVEE-IMAIQDNJSA-N 1 2 246.738 0.966 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528386448 386991126 /nfs/dbraw/zinc/99/11/26/386991126.db2.gz ICMYDRPIZZWVEE-IMAIQDNJSA-N 1 2 246.738 0.966 20 0 BCADLO CC[C@H](NC(=O)CC(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000331266897 386992618 /nfs/dbraw/zinc/99/26/18/386992618.db2.gz ICVIDYJZFBNVPR-QMMMGPOBSA-N 1 2 238.291 0.455 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000331274760 386994707 /nfs/dbraw/zinc/99/47/07/386994707.db2.gz BVUQBQUHLGNNCQ-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000331274760 386994710 /nfs/dbraw/zinc/99/47/10/386994710.db2.gz BVUQBQUHLGNNCQ-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO Cc1ccnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)n1 ZINC000331278644 386994775 /nfs/dbraw/zinc/99/47/75/386994775.db2.gz SJJRCRVESDJPOK-KWQFWETISA-N 1 2 234.303 0.399 20 0 BCADLO C[C@]1(C(N)=O)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332630461 386996570 /nfs/dbraw/zinc/99/65/70/386996570.db2.gz IAFQSSMSILXFPI-VIFPVBQESA-N 1 2 225.252 0.258 20 0 BCADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332630461 386996574 /nfs/dbraw/zinc/99/65/74/386996574.db2.gz IAFQSSMSILXFPI-VIFPVBQESA-N 1 2 225.252 0.258 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)nn1 ZINC000332619262 386996751 /nfs/dbraw/zinc/99/67/51/386996751.db2.gz DRCDNPBOYIOZTO-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)nn1 ZINC000332619262 386996754 /nfs/dbraw/zinc/99/67/54/386996754.db2.gz DRCDNPBOYIOZTO-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332670763 386998853 /nfs/dbraw/zinc/99/88/53/386998853.db2.gz HWDCREWGBBZRGR-ZETCQYMHSA-N 1 2 237.259 0.102 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332670763 386998858 /nfs/dbraw/zinc/99/88/58/386998858.db2.gz HWDCREWGBBZRGR-ZETCQYMHSA-N 1 2 237.259 0.102 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000332691948 387000313 /nfs/dbraw/zinc/00/03/13/387000313.db2.gz VDPPSRCPYYSIJK-SECBINFHSA-N 1 2 233.218 0.964 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000332691948 387000323 /nfs/dbraw/zinc/00/03/23/387000323.db2.gz VDPPSRCPYYSIJK-SECBINFHSA-N 1 2 233.218 0.964 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000332707601 387004478 /nfs/dbraw/zinc/00/44/78/387004478.db2.gz YJMWAXGQEVPJIW-BDAKNGLRSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000332707601 387004481 /nfs/dbraw/zinc/00/44/81/387004481.db2.gz YJMWAXGQEVPJIW-BDAKNGLRSA-N 1 2 239.323 0.383 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)C(C)(C)C ZINC000330363440 387006266 /nfs/dbraw/zinc/00/62/66/387006266.db2.gz DLUAMRZZNWBZKG-MRVPVSSYSA-N 1 2 212.297 0.644 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)C(C)(C)C ZINC000330363440 387006269 /nfs/dbraw/zinc/00/62/69/387006269.db2.gz DLUAMRZZNWBZKG-MRVPVSSYSA-N 1 2 212.297 0.644 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000332739998 387006539 /nfs/dbraw/zinc/00/65/39/387006539.db2.gz YQFSSGYBGBOOBO-JGVFFNPUSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000332739998 387006541 /nfs/dbraw/zinc/00/65/41/387006541.db2.gz YQFSSGYBGBOOBO-JGVFFNPUSA-N 1 2 227.264 0.171 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](CC(F)F)CC[C@H]12 ZINC000368242877 386949300 /nfs/dbraw/zinc/94/93/00/386949300.db2.gz RICCAOLMAHWXBS-RQJHMYQMSA-N 1 2 204.220 0.319 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](CC(F)F)CC[C@H]12 ZINC000368242877 386949305 /nfs/dbraw/zinc/94/93/05/386949305.db2.gz RICCAOLMAHWXBS-RQJHMYQMSA-N 1 2 204.220 0.319 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000331056138 386950250 /nfs/dbraw/zinc/95/02/50/386950250.db2.gz PPCXWZVRMURXFQ-ZJUUUORDSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000368214187 386950376 /nfs/dbraw/zinc/95/03/76/386950376.db2.gz DRKLGWOXFSYPDH-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000368214187 386950382 /nfs/dbraw/zinc/95/03/82/386950382.db2.gz DRKLGWOXFSYPDH-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000368214187 386950386 /nfs/dbraw/zinc/95/03/86/386950386.db2.gz DRKLGWOXFSYPDH-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000368214187 386950390 /nfs/dbraw/zinc/95/03/90/386950390.db2.gz DRKLGWOXFSYPDH-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)n(C)n1 ZINC000334962133 387042839 /nfs/dbraw/zinc/04/28/39/387042839.db2.gz QODNOHNQDHKROZ-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)n(C)n1 ZINC000334962133 387042840 /nfs/dbraw/zinc/04/28/40/387042840.db2.gz QODNOHNQDHKROZ-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO O=c1cc(C[NH+]2CCCC2)nc2cc[nH]n21 ZINC000108850217 387045110 /nfs/dbraw/zinc/04/51/10/387045110.db2.gz PFQACBBBNKJANW-UHFFFAOYSA-N 1 2 218.260 0.618 20 0 BCADLO CC[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000359097448 387055134 /nfs/dbraw/zinc/05/51/34/387055134.db2.gz YMCFJCWSQTXZNP-NEPJUHHUSA-N 1 2 241.379 0.785 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000359103052 387056193 /nfs/dbraw/zinc/05/61/93/387056193.db2.gz MTKDZIWYHMONHP-ZWNOBZJWSA-N 1 2 249.314 0.805 20 0 BCADLO CC1(C(=O)Nc2ccc3nn[nH]c3c2)C[NH2+]C1 ZINC000333811981 387058655 /nfs/dbraw/zinc/05/86/55/387058655.db2.gz JMQCFJGJNLAVBB-UHFFFAOYSA-N 1 2 231.259 0.506 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368785678 387010379 /nfs/dbraw/zinc/01/03/79/387010379.db2.gz CIBDMURSJQWSFW-JTQLQIEISA-N 1 2 227.304 0.786 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368785678 387010385 /nfs/dbraw/zinc/01/03/85/387010385.db2.gz CIBDMURSJQWSFW-JTQLQIEISA-N 1 2 227.304 0.786 20 0 BCADLO C[C@@H]1C[C@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000334934208 387010937 /nfs/dbraw/zinc/01/09/37/387010937.db2.gz HWBOUUIKIVOQOB-SFYZADRCSA-N 1 2 203.307 0.371 20 0 BCADLO COC(=O)C1(C)CN(Cc2[nH+]ccn2C)C1 ZINC000425371487 387011622 /nfs/dbraw/zinc/01/16/22/387011622.db2.gz GRQIOZJMSQZMPM-UHFFFAOYSA-N 1 2 223.276 0.415 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368794358 387011998 /nfs/dbraw/zinc/01/19/98/387011998.db2.gz BDMMEXCHZZAICO-SFYZADRCSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368794358 387012001 /nfs/dbraw/zinc/01/20/01/387012001.db2.gz BDMMEXCHZZAICO-SFYZADRCSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368794359 387012411 /nfs/dbraw/zinc/01/24/11/387012411.db2.gz BDMMEXCHZZAICO-YUMQZZPRSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368794359 387012417 /nfs/dbraw/zinc/01/24/17/387012417.db2.gz BDMMEXCHZZAICO-YUMQZZPRSA-N 1 2 209.236 0.723 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@]3(C2)CCCOC3)n1 ZINC000341994025 387012603 /nfs/dbraw/zinc/01/26/03/387012603.db2.gz RRYZIXSJOFISHT-NSHDSACASA-N 1 2 237.307 0.213 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@]3(C2)CCCOC3)n1 ZINC000341994025 387012608 /nfs/dbraw/zinc/01/26/08/387012608.db2.gz RRYZIXSJOFISHT-NSHDSACASA-N 1 2 237.307 0.213 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H](C2CC2)C1 ZINC000368886352 387017274 /nfs/dbraw/zinc/01/72/74/387017274.db2.gz BPNQVXGQNCIVGG-LBPRGKRZSA-N 1 2 249.314 0.911 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368967305 387021278 /nfs/dbraw/zinc/02/12/78/387021278.db2.gz WQPUZKJLGBXQKU-WCQGTBRESA-N 1 2 248.330 0.804 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368967305 387021279 /nfs/dbraw/zinc/02/12/79/387021279.db2.gz WQPUZKJLGBXQKU-WCQGTBRESA-N 1 2 248.330 0.804 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000369035241 387027291 /nfs/dbraw/zinc/02/72/91/387027291.db2.gz DMEQBHBXISLBTM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000369035241 387027294 /nfs/dbraw/zinc/02/72/94/387027294.db2.gz DMEQBHBXISLBTM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO COc1ncncc1C[NH2+]Cc1ccno1 ZINC000648023463 387028395 /nfs/dbraw/zinc/02/83/95/387028395.db2.gz FAMAVLJOTFPFQS-UHFFFAOYSA-N 1 2 220.232 0.763 20 0 BCADLO C[C@H]1[C@H](C(=O)NCC[NH+]2CCOCC2)C1(F)F ZINC000359261780 387075488 /nfs/dbraw/zinc/07/54/88/387075488.db2.gz AWHDXVVZUGLPFG-DTWKUNHWSA-N 1 2 248.273 0.336 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(O)CCCC1 ZINC000334988516 387076660 /nfs/dbraw/zinc/07/66/60/387076660.db2.gz QKMPPPHBCUYUIZ-UHFFFAOYSA-N 1 2 223.276 0.673 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H]1CCCCNC1=O)CC2 ZINC000369997693 387082770 /nfs/dbraw/zinc/08/27/70/387082770.db2.gz PRDLVEVYCCDLST-NSHDSACASA-N 1 2 248.330 0.676 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000066421296 387083543 /nfs/dbraw/zinc/08/35/43/387083543.db2.gz IDBHYJKBZVXYLG-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000066421296 387083549 /nfs/dbraw/zinc/08/35/49/387083549.db2.gz IDBHYJKBZVXYLG-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000066473605 387084652 /nfs/dbraw/zinc/08/46/52/387084652.db2.gz RGQFJMYDNZSPSX-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000066473605 387084659 /nfs/dbraw/zinc/08/46/59/387084659.db2.gz RGQFJMYDNZSPSX-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@H]2CCOC2)C1 ZINC000418074611 387087234 /nfs/dbraw/zinc/08/72/34/387087234.db2.gz NVFIDUHXHQAWNU-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2C[C@@H]2C)C1 ZINC000418080616 387089102 /nfs/dbraw/zinc/08/91/02/387089102.db2.gz ZZNNXGGVLOFEGS-DTWKUNHWSA-N 1 2 217.334 0.761 20 0 BCADLO O=C(C1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000020356162 387089234 /nfs/dbraw/zinc/08/92/34/387089234.db2.gz HZDVTSZDJDFRSI-UHFFFAOYSA-N 1 2 240.347 0.703 20 0 BCADLO CSC1(C[NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC000418081498 387089447 /nfs/dbraw/zinc/08/94/47/387089447.db2.gz GOSJUAOEDZDCAS-UHFFFAOYSA-N 1 2 235.374 0.611 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000334998660 387090396 /nfs/dbraw/zinc/09/03/96/387090396.db2.gz ICFQFQHUQCUHDE-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000334998660 387090402 /nfs/dbraw/zinc/09/04/02/387090402.db2.gz ICFQFQHUQCUHDE-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000067457113 387094426 /nfs/dbraw/zinc/09/44/26/387094426.db2.gz NYTWFVPSRKPGCE-SECBINFHSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000067457113 387094433 /nfs/dbraw/zinc/09/44/33/387094433.db2.gz NYTWFVPSRKPGCE-SECBINFHSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1ncccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267658 387098713 /nfs/dbraw/zinc/09/87/13/387098713.db2.gz XKJFAINCHQAITQ-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000336301394 387131353 /nfs/dbraw/zinc/13/13/53/387131353.db2.gz GQOOFURALQMTSM-UWVGGRQHSA-N 1 2 237.303 0.919 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186500163 387099914 /nfs/dbraw/zinc/09/99/14/387099914.db2.gz IDRKYPVRCALZKL-DCAQKATOSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186500163 387099917 /nfs/dbraw/zinc/09/99/17/387099917.db2.gz IDRKYPVRCALZKL-DCAQKATOSA-N 1 2 245.319 0.146 20 0 BCADLO O=C1CC[C@H]([NH2+]Cc2ccn[nH]2)[C@@H](C2CC2)N1 ZINC000370280423 387106008 /nfs/dbraw/zinc/10/60/08/387106008.db2.gz VPQSMHQSPGLWGC-CMPLNLGQSA-N 1 2 234.303 0.557 20 0 BCADLO C[C@H](F)CC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000352360297 387110783 /nfs/dbraw/zinc/11/07/83/387110783.db2.gz FONUXJZYJRZHHI-FXQIFTODSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@H](F)CC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000352360297 387110789 /nfs/dbraw/zinc/11/07/89/387110789.db2.gz FONUXJZYJRZHHI-FXQIFTODSA-N 1 2 206.236 0.632 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370490134 387118116 /nfs/dbraw/zinc/11/81/16/387118116.db2.gz GBEZRFCLEVRMQP-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000370490134 387118119 /nfs/dbraw/zinc/11/81/19/387118119.db2.gz GBEZRFCLEVRMQP-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@]12CCOC2=O)NC1CC1 ZINC000186668521 387120034 /nfs/dbraw/zinc/12/00/34/387120034.db2.gz OSTHUVCPFYDMKX-LBPRGKRZSA-N 1 2 238.287 0.047 20 0 BCADLO O=C(C[N@H+]1CCC[C@@]12CCOC2=O)NC1CC1 ZINC000186668521 387120041 /nfs/dbraw/zinc/12/00/41/387120041.db2.gz OSTHUVCPFYDMKX-LBPRGKRZSA-N 1 2 238.287 0.047 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H](O)C1 ZINC000370491369 387122530 /nfs/dbraw/zinc/12/25/30/387122530.db2.gz LMNNCOANDHWDJK-NXEZZACHSA-N 1 2 249.314 0.813 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191820150 387146874 /nfs/dbraw/zinc/14/68/74/387146874.db2.gz KSQGMNYMUPCIDO-UTLUCORTSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191820150 387146877 /nfs/dbraw/zinc/14/68/77/387146877.db2.gz KSQGMNYMUPCIDO-UTLUCORTSA-N 1 2 243.303 0.679 20 0 BCADLO C[C@H](CNC(=O)[C@]1(C)C[C@@H]1F)[NH+]1CCOCC1 ZINC000424585253 387193087 /nfs/dbraw/zinc/19/30/87/387193087.db2.gz QVKDLZRFLFMDHY-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO CCN1CC[N@H+](Cc2ncccc2O)[C@H](C)C1=O ZINC000571806720 387174652 /nfs/dbraw/zinc/17/46/52/387174652.db2.gz FIXZGDQANYQVAH-SNVBAGLBSA-N 1 2 249.314 0.840 20 0 BCADLO CCN1CC[N@@H+](Cc2ncccc2O)[C@H](C)C1=O ZINC000571806720 387174661 /nfs/dbraw/zinc/17/46/61/387174661.db2.gz FIXZGDQANYQVAH-SNVBAGLBSA-N 1 2 249.314 0.840 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)[C@@H]1CCOC1)C2 ZINC000370744973 387137811 /nfs/dbraw/zinc/13/78/11/387137811.db2.gz LTVNIUDMPFDKGP-SECBINFHSA-N 1 2 235.287 0.341 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000187563771 387205393 /nfs/dbraw/zinc/20/53/93/387205393.db2.gz UPOYZLWSTVYRLB-UWVGGRQHSA-N 1 2 247.298 0.490 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000187563771 387205397 /nfs/dbraw/zinc/20/53/97/387205397.db2.gz UPOYZLWSTVYRLB-UWVGGRQHSA-N 1 2 247.298 0.490 20 0 BCADLO Cn1[nH]c(C[N@H+](C)CCC(F)(F)F)nc1=O ZINC000353503690 387218280 /nfs/dbraw/zinc/21/82/80/387218280.db2.gz SSUWKHXXSBVPFZ-UHFFFAOYSA-N 1 2 238.213 0.493 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)CCC(F)(F)F)nc1=O ZINC000353503690 387218284 /nfs/dbraw/zinc/21/82/84/387218284.db2.gz SSUWKHXXSBVPFZ-UHFFFAOYSA-N 1 2 238.213 0.493 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C1CC(O)C1 ZINC000353516862 387219597 /nfs/dbraw/zinc/21/95/97/387219597.db2.gz MJHBBMSRYFQNIY-UHFFFAOYSA-N 1 2 215.293 0.783 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C1CC(O)C1 ZINC000353516862 387219600 /nfs/dbraw/zinc/21/96/00/387219600.db2.gz MJHBBMSRYFQNIY-UHFFFAOYSA-N 1 2 215.293 0.783 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H]2F)C1 ZINC000424625830 387225127 /nfs/dbraw/zinc/22/51/27/387225127.db2.gz LJVCANAJRFPEDR-KKZNHRDASA-N 1 2 230.283 0.181 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H]2F)C1 ZINC000424625830 387225130 /nfs/dbraw/zinc/22/51/30/387225130.db2.gz LJVCANAJRFPEDR-KKZNHRDASA-N 1 2 230.283 0.181 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H](CO)O1 ZINC000230009354 387226271 /nfs/dbraw/zinc/22/62/71/387226271.db2.gz SQVAKLWDAYLTOV-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H](CO)O1 ZINC000230009354 387226275 /nfs/dbraw/zinc/22/62/75/387226275.db2.gz SQVAKLWDAYLTOV-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1nc(N(C)C[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000360105534 387226460 /nfs/dbraw/zinc/22/64/60/387226460.db2.gz SJGWGBZZYYDROD-SSDOTTSWSA-N 1 2 225.296 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)C[C@@H](C)O)[nH+]1 ZINC000360105534 387226465 /nfs/dbraw/zinc/22/64/65/387226465.db2.gz SJGWGBZZYYDROD-SSDOTTSWSA-N 1 2 225.296 0.063 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012876 387226578 /nfs/dbraw/zinc/22/65/78/387226578.db2.gz SQFSMWINYMCWBI-VXGBXAGGSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012876 387226584 /nfs/dbraw/zinc/22/65/84/387226584.db2.gz SQFSMWINYMCWBI-VXGBXAGGSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)n1 ZINC000230013961 387226612 /nfs/dbraw/zinc/22/66/12/387226612.db2.gz ZABOMIOWXCHSAD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)n1 ZINC000230013961 387226619 /nfs/dbraw/zinc/22/66/19/387226619.db2.gz ZABOMIOWXCHSAD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)n(C)n1 ZINC000230010857 387227280 /nfs/dbraw/zinc/22/72/80/387227280.db2.gz CJFKMHYJOGNKRU-CMPLNLGQSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)n(C)n1 ZINC000230010857 387227286 /nfs/dbraw/zinc/22/72/86/387227286.db2.gz CJFKMHYJOGNKRU-CMPLNLGQSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H](CO)O1 ZINC000230012005 387227917 /nfs/dbraw/zinc/22/79/17/387227917.db2.gz CLJSDUXZONPGEP-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H](CO)O1 ZINC000230012005 387227923 /nfs/dbraw/zinc/22/79/23/387227923.db2.gz CLJSDUXZONPGEP-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cccn1 ZINC000424667352 387242341 /nfs/dbraw/zinc/24/23/41/387242341.db2.gz QUQKAKSYONTKSL-JTQLQIEISA-N 1 2 247.302 0.916 20 0 BCADLO CC(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000639520889 387243079 /nfs/dbraw/zinc/24/30/79/387243079.db2.gz WLZUHTJJPKYQQT-UHFFFAOYSA-N 1 2 213.277 0.457 20 0 BCADLO CC(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000639520889 387243084 /nfs/dbraw/zinc/24/30/84/387243084.db2.gz WLZUHTJJPKYQQT-UHFFFAOYSA-N 1 2 213.277 0.457 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000360200282 387243580 /nfs/dbraw/zinc/24/35/80/387243580.db2.gz VXJWSCMVBGPAEU-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000360200282 387243582 /nfs/dbraw/zinc/24/35/82/387243582.db2.gz VXJWSCMVBGPAEU-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2cc(C)ccn12 ZINC000188073183 387248739 /nfs/dbraw/zinc/24/87/39/387248739.db2.gz FFMGRJYXXNRUIQ-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2cc(C)ccn12 ZINC000188073183 387248745 /nfs/dbraw/zinc/24/87/45/387248745.db2.gz FFMGRJYXXNRUIQ-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000336420472 387249710 /nfs/dbraw/zinc/24/97/10/387249710.db2.gz URYJAMFHUUWGLS-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000336420472 387249714 /nfs/dbraw/zinc/24/97/14/387249714.db2.gz URYJAMFHUUWGLS-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000336420473 387250449 /nfs/dbraw/zinc/25/04/49/387250449.db2.gz URYJAMFHUUWGLS-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000336420473 387250454 /nfs/dbraw/zinc/25/04/54/387250454.db2.gz URYJAMFHUUWGLS-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)(C)n1cnc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000360261905 387251726 /nfs/dbraw/zinc/25/17/26/387251726.db2.gz OXSUXLNOJQKIJZ-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO CC(C)(C)n1cnc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000360261905 387251732 /nfs/dbraw/zinc/25/17/32/387251732.db2.gz OXSUXLNOJQKIJZ-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2cc(C)on2)C1 ZINC000571894338 387195998 /nfs/dbraw/zinc/19/59/98/387195998.db2.gz GTXZDVCFCGCOKC-UHFFFAOYSA-N 1 2 209.249 0.303 20 0 BCADLO C[N@H+](Cc1cnn2ccccc12)[C@@H]1CCNC1=O ZINC000336370001 387200991 /nfs/dbraw/zinc/20/09/91/387200991.db2.gz JEIRLSJVZWZUBB-GFCCVEGCSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cnn2ccccc12)[C@@H]1CCNC1=O ZINC000336370001 387200995 /nfs/dbraw/zinc/20/09/95/387200995.db2.gz JEIRLSJVZWZUBB-GFCCVEGCSA-N 1 2 244.298 0.655 20 0 BCADLO Cn1cncc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000371923399 387257906 /nfs/dbraw/zinc/25/79/06/387257906.db2.gz PZQVQMMPIJQGID-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO Cn1cncc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000371923399 387257911 /nfs/dbraw/zinc/25/79/11/387257911.db2.gz PZQVQMMPIJQGID-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(O)CCC1 ZINC000336433236 387260782 /nfs/dbraw/zinc/26/07/82/387260782.db2.gz ZZKXPDZENPRVMN-UHFFFAOYSA-N 1 2 209.249 0.283 20 0 BCADLO COCc1nc(SCc2[nH+]ccn2C)n[nH]1 ZINC000353817051 387280566 /nfs/dbraw/zinc/28/05/66/387280566.db2.gz QEVLTGADEHQUCJ-UHFFFAOYSA-N 1 2 239.304 0.977 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000353824353 387280654 /nfs/dbraw/zinc/28/06/54/387280654.db2.gz BGCOVUAZNUZHLD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000353824353 387280659 /nfs/dbraw/zinc/28/06/59/387280659.db2.gz BGCOVUAZNUZHLD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CN(Cc1[nH+]ccn1C)Cc1cc(=O)c(O)co1 ZINC000161979959 387291288 /nfs/dbraw/zinc/29/12/88/387291288.db2.gz DNAPFELHFHPBPE-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000353982967 387303997 /nfs/dbraw/zinc/30/39/97/387303997.db2.gz JFBJAIJFQCFYEV-NEPJUHHUSA-N 1 2 240.347 0.823 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1cnn(C)n1 ZINC000290065968 387306590 /nfs/dbraw/zinc/30/65/90/387306590.db2.gz SZMWEGRDNPNLBS-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cnn(C)n1 ZINC000290065968 387306595 /nfs/dbraw/zinc/30/65/95/387306595.db2.gz SZMWEGRDNPNLBS-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000514870298 387306802 /nfs/dbraw/zinc/30/68/02/387306802.db2.gz HOSKEQYFNJKRQQ-BXKDBHETSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000514870298 387306806 /nfs/dbraw/zinc/30/68/06/387306806.db2.gz HOSKEQYFNJKRQQ-BXKDBHETSA-N 1 2 238.287 0.369 20 0 BCADLO CSC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000572300357 387308840 /nfs/dbraw/zinc/30/88/40/387308840.db2.gz SYPYXSXDMKREND-MRVPVSSYSA-N 1 2 213.306 0.751 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360836546 387356272 /nfs/dbraw/zinc/35/62/72/387356272.db2.gz XCLHURXEMNHLEZ-JGVFFNPUSA-N 1 2 236.262 0.261 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCOCC1 ZINC000373336540 387358304 /nfs/dbraw/zinc/35/83/04/387358304.db2.gz GOKCTJFYIRXODT-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000572896513 387362649 /nfs/dbraw/zinc/36/26/49/387362649.db2.gz UMGXKCILJDZGNJ-UHFFFAOYSA-N 1 2 237.351 0.893 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000373402152 387363515 /nfs/dbraw/zinc/36/35/15/387363515.db2.gz GZGMWAJIJQKUJJ-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000373402152 387363520 /nfs/dbraw/zinc/36/35/20/387363520.db2.gz GZGMWAJIJQKUJJ-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000336541366 387363513 /nfs/dbraw/zinc/36/35/13/387363513.db2.gz HHVHODBZEQSYOL-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000336541366 387363518 /nfs/dbraw/zinc/36/35/18/387363518.db2.gz HHVHODBZEQSYOL-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO COCc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000162465502 387378811 /nfs/dbraw/zinc/37/88/11/387378811.db2.gz MHNGNYNKMZXTOX-UHFFFAOYSA-N 1 2 240.303 0.946 20 0 BCADLO COCc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000162465502 387378819 /nfs/dbraw/zinc/37/88/19/387378819.db2.gz MHNGNYNKMZXTOX-UHFFFAOYSA-N 1 2 240.303 0.946 20 0 BCADLO Cn1ncc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000287172834 387379679 /nfs/dbraw/zinc/37/96/79/387379679.db2.gz UQQNXBJWEQNVOD-LBPRGKRZSA-N 1 2 232.287 0.638 20 0 BCADLO CC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000287178317 387381357 /nfs/dbraw/zinc/38/13/57/387381357.db2.gz JZNXDDAYMTUIKK-SNVBAGLBSA-N 1 2 213.277 0.874 20 0 BCADLO Cc1nsc(N(C)CC[NH+]2CCOCC2)n1 ZINC000360987436 387381857 /nfs/dbraw/zinc/38/18/57/387381857.db2.gz PHROAJSUWKVQFH-UHFFFAOYSA-N 1 2 242.348 0.615 20 0 BCADLO C[C@H](CF)NC(=O)CCc1c[nH+]cn1C ZINC000360606631 387321202 /nfs/dbraw/zinc/32/12/02/387321202.db2.gz FNOZCGUMSVRROT-MRVPVSSYSA-N 1 2 213.256 0.827 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000360608624 387323094 /nfs/dbraw/zinc/32/30/94/387323094.db2.gz VWWQTNNZBNTUKT-IUCAKERBSA-N 1 2 225.267 0.920 20 0 BCADLO CN(CCC(N)=O)c1nc[nH+]c(N)c1Cl ZINC000286611740 387334147 /nfs/dbraw/zinc/33/41/47/387334147.db2.gz TYNATHOJUKRXOO-UHFFFAOYSA-N 1 2 229.671 0.024 20 0 BCADLO CN(CCC(N)=O)c1[nH+]cnc(N)c1Cl ZINC000286611740 387334154 /nfs/dbraw/zinc/33/41/54/387334154.db2.gz TYNATHOJUKRXOO-UHFFFAOYSA-N 1 2 229.671 0.024 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cc[nH]c(=O)c1 ZINC000515083029 387335355 /nfs/dbraw/zinc/33/53/55/387335355.db2.gz XRYYZTCLXZDVAB-VIFPVBQESA-N 1 2 246.270 0.861 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000336514128 387337671 /nfs/dbraw/zinc/33/76/71/387337671.db2.gz HAPMUBWLCZDNLW-PHIMTYICSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000336514128 387337677 /nfs/dbraw/zinc/33/76/77/387337677.db2.gz HAPMUBWLCZDNLW-PHIMTYICSA-N 1 2 228.336 0.962 20 0 BCADLO O=C1C[N@H+](CCc2ccccc2F)CCN1 ZINC000121303517 387338765 /nfs/dbraw/zinc/33/87/65/387338765.db2.gz KHPIZXLHBOKZKF-UHFFFAOYSA-N 1 2 222.263 0.800 20 0 BCADLO O=C1C[N@@H+](CCc2ccccc2F)CCN1 ZINC000121303517 387338770 /nfs/dbraw/zinc/33/87/70/387338770.db2.gz KHPIZXLHBOKZKF-UHFFFAOYSA-N 1 2 222.263 0.800 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000515123572 387339183 /nfs/dbraw/zinc/33/91/83/387339183.db2.gz FHYMHOKIYBMLOO-VIFPVBQESA-N 1 2 248.330 0.620 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000515123572 387339188 /nfs/dbraw/zinc/33/91/88/387339188.db2.gz FHYMHOKIYBMLOO-VIFPVBQESA-N 1 2 248.330 0.620 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000354211835 387347094 /nfs/dbraw/zinc/34/70/94/387347094.db2.gz YIGCQWKZUCHBIR-WOPDTQHZSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000354211835 387347098 /nfs/dbraw/zinc/34/70/98/387347098.db2.gz YIGCQWKZUCHBIR-WOPDTQHZSA-N 1 2 239.363 0.395 20 0 BCADLO COC(=O)[C@H](CNc1cc[nH+]c(C)n1)OC ZINC000292150714 387350187 /nfs/dbraw/zinc/35/01/87/387350187.db2.gz CGXBOHLEGPYQLQ-QMMMGPOBSA-N 1 2 225.248 0.385 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCn1cccn1 ZINC000336599911 387424207 /nfs/dbraw/zinc/42/42/07/387424207.db2.gz VNWHQFWWAYMROL-INIZCTEOSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1CCn1cccn1 ZINC000336599911 387424210 /nfs/dbraw/zinc/42/42/10/387424210.db2.gz VNWHQFWWAYMROL-INIZCTEOSA-N 1 2 241.360 0.726 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352667028 387430011 /nfs/dbraw/zinc/43/00/11/387430011.db2.gz JEHMNHXOWYMOGR-RKDXNWHRSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352667028 387430016 /nfs/dbraw/zinc/43/00/16/387430016.db2.gz JEHMNHXOWYMOGR-RKDXNWHRSA-N 1 2 211.265 0.723 20 0 BCADLO CSCC[C@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000194450074 387432451 /nfs/dbraw/zinc/43/24/51/387432451.db2.gz XOKITTSGFJDMOD-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CSCC[C@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000194450074 387432458 /nfs/dbraw/zinc/43/24/58/387432458.db2.gz XOKITTSGFJDMOD-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@H]1C(=O)N(CC)CCN1Cc1c[nH+]c[nH]1 ZINC000361332444 387441458 /nfs/dbraw/zinc/44/14/58/387441458.db2.gz SHXSCIJGOIYTPN-NSHDSACASA-N 1 2 236.319 0.852 20 0 BCADLO CC[C@H]1C(=O)N(CC)CCN1Cc1c[nH]c[nH+]1 ZINC000361332444 387441463 /nfs/dbraw/zinc/44/14/63/387441463.db2.gz SHXSCIJGOIYTPN-NSHDSACASA-N 1 2 236.319 0.852 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352701994 387442986 /nfs/dbraw/zinc/44/29/86/387442986.db2.gz XCJWWNHPOTVCEU-DTWKUNHWSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352701994 387442988 /nfs/dbraw/zinc/44/29/88/387442988.db2.gz XCJWWNHPOTVCEU-DTWKUNHWSA-N 1 2 210.281 0.160 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000361349948 387443851 /nfs/dbraw/zinc/44/38/51/387443851.db2.gz AGIMYGFBNPQBEQ-SNVBAGLBSA-N 1 2 248.286 0.243 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000361349948 387443854 /nfs/dbraw/zinc/44/38/54/387443854.db2.gz AGIMYGFBNPQBEQ-SNVBAGLBSA-N 1 2 248.286 0.243 20 0 BCADLO COCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000516048668 387451943 /nfs/dbraw/zinc/45/19/43/387451943.db2.gz SKVINTRHZKQYAN-MRVPVSSYSA-N 1 2 229.305 0.248 20 0 BCADLO CC(C)[N@H+](Cc1nnnn1C)[C@@H]1CCOC1 ZINC000361426469 387462402 /nfs/dbraw/zinc/46/24/02/387462402.db2.gz OALNEPSENOHJBB-SECBINFHSA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)[N@@H+](Cc1nnnn1C)[C@@H]1CCOC1 ZINC000361426469 387462409 /nfs/dbraw/zinc/46/24/09/387462409.db2.gz OALNEPSENOHJBB-SECBINFHSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000374040421 387413868 /nfs/dbraw/zinc/41/38/68/387413868.db2.gz ROAJSCBQFUBXNX-TVQRCGJNSA-N 1 2 249.314 0.813 20 0 BCADLO Cc1cnccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000274842637 387494916 /nfs/dbraw/zinc/49/49/16/387494916.db2.gz UPYWCFFRJYZNHC-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(O)CCC1)C2 ZINC000374929113 387499735 /nfs/dbraw/zinc/49/97/35/387499735.db2.gz PGLZAVHBBOMWNC-SNVBAGLBSA-N 1 2 249.314 0.538 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC1(O)CCC1 ZINC000396894706 387509069 /nfs/dbraw/zinc/50/90/69/387509069.db2.gz YQLUBCJUXNABIH-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC1(O)CCC1 ZINC000396894706 387509073 /nfs/dbraw/zinc/50/90/73/387509073.db2.gz YQLUBCJUXNABIH-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COC(C)C ZINC000361627252 387512389 /nfs/dbraw/zinc/51/23/89/387512389.db2.gz CZEDMMNEISSDMO-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COC(C)C ZINC000361627252 387512392 /nfs/dbraw/zinc/51/23/92/387512392.db2.gz CZEDMMNEISSDMO-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000361639263 387515069 /nfs/dbraw/zinc/51/50/69/387515069.db2.gz NYLHGKFZSGKAJC-NXEZZACHSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000361639263 387515072 /nfs/dbraw/zinc/51/50/72/387515072.db2.gz NYLHGKFZSGKAJC-NXEZZACHSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCCN1CCOCC1 ZINC000361641233 387516758 /nfs/dbraw/zinc/51/67/58/387516758.db2.gz XWKOCIWPONSKHW-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCCN1CCOCC1 ZINC000361641233 387516761 /nfs/dbraw/zinc/51/67/61/387516761.db2.gz XWKOCIWPONSKHW-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CONC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375259745 387519471 /nfs/dbraw/zinc/51/94/71/387519471.db2.gz YXMWIJNEHFZJCV-NXEZZACHSA-N 1 2 235.287 0.832 20 0 BCADLO CC(C)[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104779222 387524339 /nfs/dbraw/zinc/52/43/39/387524339.db2.gz QHJHTIHRWSJHKR-QWRGUYRKSA-N 1 2 243.351 0.661 20 0 BCADLO CC(C)[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104779222 387524342 /nfs/dbraw/zinc/52/43/42/387524342.db2.gz QHJHTIHRWSJHKR-QWRGUYRKSA-N 1 2 243.351 0.661 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000375316119 387526186 /nfs/dbraw/zinc/52/61/86/387526186.db2.gz VYSURIWSTHGIDY-IUCAKERBSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000375316119 387526189 /nfs/dbraw/zinc/52/61/89/387526189.db2.gz VYSURIWSTHGIDY-IUCAKERBSA-N 1 2 243.332 0.930 20 0 BCADLO CCOCC[N@H+](CC)Cc1nc(N(C)C)no1 ZINC000192715981 387526702 /nfs/dbraw/zinc/52/67/02/387526702.db2.gz MMOQWLNDEUVIPX-UHFFFAOYSA-N 1 2 242.323 0.994 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nc(N(C)C)no1 ZINC000192715981 387526705 /nfs/dbraw/zinc/52/67/05/387526705.db2.gz MMOQWLNDEUVIPX-UHFFFAOYSA-N 1 2 242.323 0.994 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2cccc(C)n12 ZINC000355376053 387527325 /nfs/dbraw/zinc/52/73/25/387527325.db2.gz YYAVPIBEAOMZPN-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2cccc(C)n12 ZINC000355376053 387527328 /nfs/dbraw/zinc/52/73/28/387527328.db2.gz YYAVPIBEAOMZPN-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCCO1 ZINC000527192663 387529488 /nfs/dbraw/zinc/52/94/88/387529488.db2.gz SYAQRAYONVWKLE-UHFFFAOYSA-N 1 2 209.249 0.517 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2nnc[nH]2)c[nH+]1 ZINC000397017853 387531498 /nfs/dbraw/zinc/53/14/98/387531498.db2.gz BCQJCEGGLXVDHN-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1C ZINC000310152256 387534017 /nfs/dbraw/zinc/53/40/17/387534017.db2.gz HXWGBMHPAAFHSW-JTQLQIEISA-N 1 2 238.335 0.716 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1C ZINC000310152256 387534021 /nfs/dbraw/zinc/53/40/21/387534021.db2.gz HXWGBMHPAAFHSW-JTQLQIEISA-N 1 2 238.335 0.716 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)O)[C@@H](C)CC ZINC000192788653 387535245 /nfs/dbraw/zinc/53/52/45/387535245.db2.gz PEHORVPUBHCBME-IVZWLZJFSA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)O)[C@H](C)CC ZINC000192788614 387535255 /nfs/dbraw/zinc/53/52/55/387535255.db2.gz PEHORVPUBHCBME-BBBLOLIVSA-N 1 2 217.309 0.935 20 0 BCADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834869 387540267 /nfs/dbraw/zinc/54/02/67/387540267.db2.gz XNHUOZCHWKZHKM-WCBMZHEXSA-N 1 2 237.307 0.790 20 0 BCADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834869 387540272 /nfs/dbraw/zinc/54/02/72/387540272.db2.gz XNHUOZCHWKZHKM-WCBMZHEXSA-N 1 2 237.307 0.790 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@H]1CCSC1 ZINC000162654078 387462767 /nfs/dbraw/zinc/46/27/67/387462767.db2.gz QPYNFMUZHNLOAU-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000162654078 387462770 /nfs/dbraw/zinc/46/27/70/387462770.db2.gz QPYNFMUZHNLOAU-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO COC[C@H](CC(C)C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000355048807 387469705 /nfs/dbraw/zinc/46/97/05/387469705.db2.gz FOCPNKHKUJXIGG-VWYCJHECSA-N 1 2 247.335 0.560 20 0 BCADLO Cc1cn2c([nH+]1)CN(CCN1CCCC1=O)CC2 ZINC000374642991 387476444 /nfs/dbraw/zinc/47/64/44/387476444.db2.gz DACRNMRYKLWJDU-UHFFFAOYSA-N 1 2 248.330 0.630 20 0 BCADLO CCN(CC)S(=O)(=O)NCc1[nH+]ccn1C ZINC000355088333 387478324 /nfs/dbraw/zinc/47/83/24/387478324.db2.gz BHRPVCWTQLQBIP-UHFFFAOYSA-N 1 2 246.336 0.096 20 0 BCADLO CSCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355078708 387478382 /nfs/dbraw/zinc/47/83/82/387478382.db2.gz XMWFIFSOLLWNIG-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CSCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355078708 387478386 /nfs/dbraw/zinc/47/83/86/387478386.db2.gz XMWFIFSOLLWNIG-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO Cc1cn2c(n1)C[N@H+](Cc1ccnn1C)CC2 ZINC000374701700 387481946 /nfs/dbraw/zinc/48/19/46/387481946.db2.gz YTULRHRKGVMIBS-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](Cc1ccnn1C)CC2 ZINC000374701700 387481951 /nfs/dbraw/zinc/48/19/51/387481951.db2.gz YTULRHRKGVMIBS-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCOC1)CC2 ZINC000374695973 387482282 /nfs/dbraw/zinc/48/22/82/387482282.db2.gz IAIMMCYPVTWURG-SNVBAGLBSA-N 1 2 235.287 0.570 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000355127121 387483513 /nfs/dbraw/zinc/48/35/13/387483513.db2.gz SFXHZARHQZFYMJ-GXSJLCMTSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC ZINC000355127123 387483570 /nfs/dbraw/zinc/48/35/70/387483570.db2.gz SFXHZARHQZFYMJ-MWLCHTKSSA-N 1 2 245.319 0.579 20 0 BCADLO CSCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355126592 387483577 /nfs/dbraw/zinc/48/35/77/387483577.db2.gz FSTYSRLCIVXLKL-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000361555895 387486413 /nfs/dbraw/zinc/48/64/13/387486413.db2.gz UIJCYWCNECTVHZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000361555895 387486417 /nfs/dbraw/zinc/48/64/17/387486417.db2.gz UIJCYWCNECTVHZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H](C)OC ZINC000361559845 387490758 /nfs/dbraw/zinc/49/07/58/387490758.db2.gz XOVIOMVVCXVNND-ZETCQYMHSA-N 1 2 214.269 0.367 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H](C)OC ZINC000361559845 387490765 /nfs/dbraw/zinc/49/07/65/387490765.db2.gz XOVIOMVVCXVNND-ZETCQYMHSA-N 1 2 214.269 0.367 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000516311053 387492295 /nfs/dbraw/zinc/49/22/95/387492295.db2.gz RHKMRRWQOCSQNA-SFYZADRCSA-N 1 2 249.270 0.540 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[NH+](CCO)CC1 ZINC000305217111 387580031 /nfs/dbraw/zinc/58/00/31/387580031.db2.gz RQZTWUVBZIVFKQ-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000193499427 387587703 /nfs/dbraw/zinc/58/77/03/387587703.db2.gz UCOYPRKZIDQWNH-DTWKUNHWSA-N 1 2 223.276 0.841 20 0 BCADLO CC[N@H+](CCCO)Cc1nnnn1C(C)(C)C ZINC000362329314 387597311 /nfs/dbraw/zinc/59/73/11/387597311.db2.gz YPAMELWMXCKDDU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO CC[N@@H+](CCCO)Cc1nnnn1C(C)(C)C ZINC000362329314 387597314 /nfs/dbraw/zinc/59/73/14/387597314.db2.gz YPAMELWMXCKDDU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)ccn1 ZINC000527538058 387606884 /nfs/dbraw/zinc/60/68/84/387606884.db2.gz BCKWLLOHVBIFGN-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)ccn1 ZINC000527538058 387606888 /nfs/dbraw/zinc/60/68/88/387606888.db2.gz BCKWLLOHVBIFGN-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ccn1 ZINC000527539053 387607875 /nfs/dbraw/zinc/60/78/75/387607875.db2.gz OPUOACYJTDWOSV-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ccn1 ZINC000527539053 387607879 /nfs/dbraw/zinc/60/78/79/387607879.db2.gz OPUOACYJTDWOSV-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356124242 387618261 /nfs/dbraw/zinc/61/82/61/387618261.db2.gz KXWAWIPUXRCUBH-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356124242 387618267 /nfs/dbraw/zinc/61/82/67/387618267.db2.gz KXWAWIPUXRCUBH-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC1=O ZINC000527257234 387551745 /nfs/dbraw/zinc/55/17/45/387551745.db2.gz DFHOUOBMPGHZGT-VIFPVBQESA-N 1 2 235.287 0.448 20 0 BCADLO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193488717 387556065 /nfs/dbraw/zinc/55/60/65/387556065.db2.gz HSRJUUUYPQRYCI-ONGXEEELSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193488717 387556069 /nfs/dbraw/zinc/55/60/69/387556069.db2.gz HSRJUUUYPQRYCI-ONGXEEELSA-N 1 2 239.323 0.193 20 0 BCADLO CC(=O)NCCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362073769 387567349 /nfs/dbraw/zinc/56/73/49/387567349.db2.gz ZFLLIHLFPULGGM-ORMTXKICSA-N 1 2 246.376 0.354 20 0 BCADLO CC(=O)NCCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362073769 387567353 /nfs/dbraw/zinc/56/73/53/387567353.db2.gz ZFLLIHLFPULGGM-ORMTXKICSA-N 1 2 246.376 0.354 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362092786 387571953 /nfs/dbraw/zinc/57/19/53/387571953.db2.gz BGQRIBLNTOOLNP-IONNQARKSA-N 1 2 211.265 0.438 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362092786 387571958 /nfs/dbraw/zinc/57/19/58/387571958.db2.gz BGQRIBLNTOOLNP-IONNQARKSA-N 1 2 211.265 0.438 20 0 BCADLO CC[C@@H](NC(=O)c1ncn(C)n1)c1[nH]cc[nH+]1 ZINC000355745996 387574588 /nfs/dbraw/zinc/57/45/88/387574588.db2.gz GYHSMJAMFOHNAW-SSDOTTSWSA-N 1 2 234.263 0.419 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332791981 387574721 /nfs/dbraw/zinc/57/47/21/387574721.db2.gz AVYMJNUOBWTWMH-LPEHRKFASA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332791981 387574726 /nfs/dbraw/zinc/57/47/26/387574726.db2.gz AVYMJNUOBWTWMH-LPEHRKFASA-N 1 2 249.314 0.808 20 0 BCADLO Cc1nsc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000266949185 387574961 /nfs/dbraw/zinc/57/49/61/387574961.db2.gz XCLJFPYFYASMIT-ZETCQYMHSA-N 1 2 242.304 0.116 20 0 BCADLO Cc1nsc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000266949185 387574966 /nfs/dbraw/zinc/57/49/66/387574966.db2.gz XCLJFPYFYASMIT-ZETCQYMHSA-N 1 2 242.304 0.116 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ncc[nH]1 ZINC000527484903 387578467 /nfs/dbraw/zinc/57/84/67/387578467.db2.gz AUPPCFFUQQJNGB-JTQLQIEISA-N 1 2 247.302 0.953 20 0 BCADLO c1[nH]c(CN2CCOC[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000375748831 387578393 /nfs/dbraw/zinc/57/83/93/387578393.db2.gz AEIRHMNJHHAHIC-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO c1[nH]cc(CN2CCOC[C@H]2[C@H]2CCCO2)[nH+]1 ZINC000375748831 387578396 /nfs/dbraw/zinc/57/83/96/387578396.db2.gz AEIRHMNJHHAHIC-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO O=C(CO)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000305712543 387633025 /nfs/dbraw/zinc/63/30/25/387633025.db2.gz KOMALFWWPFEBJZ-UHFFFAOYSA-N 1 2 235.218 0.942 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376494112 387641939 /nfs/dbraw/zinc/64/19/39/387641939.db2.gz CVGMTYFYPYFFMF-AOOOYVTPSA-N 1 2 208.265 0.178 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376494112 387641941 /nfs/dbraw/zinc/64/19/41/387641941.db2.gz CVGMTYFYPYFFMF-AOOOYVTPSA-N 1 2 208.265 0.178 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356337938 387646159 /nfs/dbraw/zinc/64/61/59/387646159.db2.gz KMCYNTDLYASVEA-DDHJBXDOSA-N 1 2 249.314 0.813 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000343709168 387649034 /nfs/dbraw/zinc/64/90/34/387649034.db2.gz CVKAJEWLUULZSV-JTQLQIEISA-N 1 2 217.240 0.470 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000343709168 387649037 /nfs/dbraw/zinc/64/90/37/387649037.db2.gz CVKAJEWLUULZSV-JTQLQIEISA-N 1 2 217.240 0.470 20 0 BCADLO C[C@@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000125314265 387651677 /nfs/dbraw/zinc/65/16/77/387651677.db2.gz AJWOHBBRTOETHS-JTQLQIEISA-N 1 2 245.282 0.983 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356397108 387653110 /nfs/dbraw/zinc/65/31/10/387653110.db2.gz VUOBZAXJTHSJPP-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO COC[C@@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356397108 387653112 /nfs/dbraw/zinc/65/31/12/387653112.db2.gz VUOBZAXJTHSJPP-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000376603069 387654992 /nfs/dbraw/zinc/65/49/92/387654992.db2.gz WOMVWALLFZRCLC-RTCCRHLQSA-N 1 2 247.298 0.826 20 0 BCADLO CC(C)CC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000628712829 387658021 /nfs/dbraw/zinc/65/80/21/387658021.db2.gz VJJWNYUBLJYWDF-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000305870844 387666138 /nfs/dbraw/zinc/66/61/38/387666138.db2.gz OKNMXMBLLCJCAJ-VXGBXAGGSA-N 1 2 242.363 0.805 20 0 BCADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000356518710 387666839 /nfs/dbraw/zinc/66/68/39/387666839.db2.gz ZNZXUSLIGJOEHB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000356518710 387666842 /nfs/dbraw/zinc/66/68/42/387666842.db2.gz ZNZXUSLIGJOEHB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000305913984 387667382 /nfs/dbraw/zinc/66/73/82/387667382.db2.gz ANMXPRBRQYSXHQ-NWDGAFQWSA-N 1 2 248.330 0.961 20 0 BCADLO CCOC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356530528 387669110 /nfs/dbraw/zinc/66/91/10/387669110.db2.gz QDRLXPMZSLUFMW-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CCOC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356530527 387669563 /nfs/dbraw/zinc/66/95/63/387669563.db2.gz QDRLXPMZSLUFMW-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000376827591 387674544 /nfs/dbraw/zinc/67/45/44/387674544.db2.gz JIUBLNXAXGNIDW-VIFPVBQESA-N 1 2 247.298 0.715 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440708370 387675503 /nfs/dbraw/zinc/67/55/03/387675503.db2.gz DFULUZHQTBCJBG-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440708370 387675508 /nfs/dbraw/zinc/67/55/08/387675508.db2.gz DFULUZHQTBCJBG-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO Cn1nnc(C[NH2+]Cc2ccc3c[nH]nc3c2)n1 ZINC000362955500 387679498 /nfs/dbraw/zinc/67/94/98/387679498.db2.gz RJRODDQHEMEHQQ-UHFFFAOYSA-N 1 2 243.274 0.376 20 0 BCADLO CCn1ncc(C[NH2+]Cc2c[nH]nc2C)n1 ZINC000527734151 387682242 /nfs/dbraw/zinc/68/22/42/387682242.db2.gz KZYFRDUWXZXTIE-UHFFFAOYSA-N 1 2 220.280 0.619 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cc[nH]c2)n1 ZINC000527736147 387684776 /nfs/dbraw/zinc/68/47/76/387684776.db2.gz QQAKUIUNNQUKHS-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO C[N@H+](Cc1ccno1)[C@H]1CCCCNC1=O ZINC000362996228 387686298 /nfs/dbraw/zinc/68/62/98/387686298.db2.gz BJQASEIPSHYGQM-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO C[N@@H+](Cc1ccno1)[C@H]1CCCCNC1=O ZINC000362996228 387686308 /nfs/dbraw/zinc/68/63/08/387686308.db2.gz BJQASEIPSHYGQM-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528771047 387687125 /nfs/dbraw/zinc/68/71/25/387687125.db2.gz VNTCMGSUHYBHKH-SSDOTTSWSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528771047 387687131 /nfs/dbraw/zinc/68/71/31/387687131.db2.gz VNTCMGSUHYBHKH-SSDOTTSWSA-N 1 2 249.261 0.562 20 0 BCADLO CSC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424139903 387688588 /nfs/dbraw/zinc/68/85/88/387688588.db2.gz RTEKWAWQZLMLLL-LURJTMIESA-N 1 2 227.276 0.022 20 0 BCADLO c1c(C[N@@H+]2CCCOCC2)nc2ncccn12 ZINC000363153313 387693721 /nfs/dbraw/zinc/69/37/21/387693721.db2.gz OAIOPMDKFFVLAN-UHFFFAOYSA-N 1 2 232.287 0.952 20 0 BCADLO c1c(C[N@H+]2CCCOCC2)nc2ncccn12 ZINC000363153313 387693726 /nfs/dbraw/zinc/69/37/26/387693726.db2.gz OAIOPMDKFFVLAN-UHFFFAOYSA-N 1 2 232.287 0.952 20 0 BCADLO CC(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000432009347 387743797 /nfs/dbraw/zinc/74/37/97/387743797.db2.gz ZXZZFNHQQPTSHL-UHFFFAOYSA-N 1 2 246.270 0.844 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000432016484 387746239 /nfs/dbraw/zinc/74/62/39/387746239.db2.gz WWFGPNPMQSOLRX-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO COc1ccc[nH+]c1N(C)CC(=O)NC1CC1 ZINC000527829367 387748300 /nfs/dbraw/zinc/74/83/00/387748300.db2.gz JLMRRVRTIYAUOI-UHFFFAOYSA-N 1 2 235.287 0.805 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000440778939 387697399 /nfs/dbraw/zinc/69/73/99/387697399.db2.gz MBWBRUDXVWBVEA-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000440778939 387697403 /nfs/dbraw/zinc/69/74/03/387697403.db2.gz MBWBRUDXVWBVEA-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527759762 387697522 /nfs/dbraw/zinc/69/75/22/387697522.db2.gz VEOUCGNEUHCETD-GHMZBOCLSA-N 1 2 225.292 0.348 20 0 BCADLO CC[C@H]1C[N@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440787949 387699235 /nfs/dbraw/zinc/69/92/35/387699235.db2.gz TZBQQZUSNXZLNZ-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440787949 387699241 /nfs/dbraw/zinc/69/92/41/387699241.db2.gz TZBQQZUSNXZLNZ-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000440792879 387703035 /nfs/dbraw/zinc/70/30/35/387703035.db2.gz ULKLCSOEHKIURJ-SECBINFHSA-N 1 2 207.281 0.442 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000440792879 387703040 /nfs/dbraw/zinc/70/30/40/387703040.db2.gz ULKLCSOEHKIURJ-SECBINFHSA-N 1 2 207.281 0.442 20 0 BCADLO C[C@H](F)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356733166 387710703 /nfs/dbraw/zinc/71/07/03/387710703.db2.gz UBZJBCVFYWNHCQ-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)CCCO)n1 ZINC000440949557 387717369 /nfs/dbraw/zinc/71/73/69/387717369.db2.gz PMZHADHLRBVJKD-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)CCCO)n1 ZINC000440949557 387717375 /nfs/dbraw/zinc/71/73/75/387717375.db2.gz PMZHADHLRBVJKD-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CC(F)(F)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000377405743 387717431 /nfs/dbraw/zinc/71/74/31/387717431.db2.gz UOOOSOMKCFZCRA-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO CC(F)(F)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000377405743 387717437 /nfs/dbraw/zinc/71/74/37/387717437.db2.gz UOOOSOMKCFZCRA-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000377465986 387720220 /nfs/dbraw/zinc/72/02/20/387720220.db2.gz UOKLCEXDUZTLER-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000377878544 387755513 /nfs/dbraw/zinc/75/55/13/387755513.db2.gz JUHBXIMFNJMLGI-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000377878544 387755517 /nfs/dbraw/zinc/75/55/17/387755517.db2.gz JUHBXIMFNJMLGI-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452068788 387722482 /nfs/dbraw/zinc/72/24/82/387722482.db2.gz OWCPAHPKOGSDMQ-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452068788 387722485 /nfs/dbraw/zinc/72/24/85/387722485.db2.gz OWCPAHPKOGSDMQ-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CCCS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000431600911 387723069 /nfs/dbraw/zinc/72/30/69/387723069.db2.gz RAUYZNVABCGUDK-UHFFFAOYSA-N 1 2 244.316 0.920 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000367655587 387740742 /nfs/dbraw/zinc/74/07/42/387740742.db2.gz ZXQUXBSMPXEBKY-ZJUUUORDSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378057634 387763930 /nfs/dbraw/zinc/76/39/30/387763930.db2.gz MLNVECVHLNUPRY-MWLCHTKSSA-N 1 2 235.287 0.650 20 0 BCADLO COc1ccc[nH+]c1N1CCN(C2CC2)C(=O)C1 ZINC000527909978 387764289 /nfs/dbraw/zinc/76/42/89/387764289.db2.gz DKLAGAIMZYVBMQ-UHFFFAOYSA-N 1 2 247.298 0.901 20 0 BCADLO C[C@H]1C[N@H+](CC2(C)COC2)CC[S@@]1=O ZINC000441488852 387764770 /nfs/dbraw/zinc/76/47/70/387764770.db2.gz RODKLKVGEJXRNM-XPTSAGLGSA-N 1 2 217.334 0.476 20 0 BCADLO C[C@H]1C[N@@H+](CC2(C)COC2)CC[S@@]1=O ZINC000441488852 387764774 /nfs/dbraw/zinc/76/47/74/387764774.db2.gz RODKLKVGEJXRNM-XPTSAGLGSA-N 1 2 217.334 0.476 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000378134170 387767948 /nfs/dbraw/zinc/76/79/48/387767948.db2.gz ZXOUMZCTYHMNBH-JTQLQIEISA-N 1 2 249.318 0.270 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000378134170 387767951 /nfs/dbraw/zinc/76/79/51/387767951.db2.gz ZXOUMZCTYHMNBH-JTQLQIEISA-N 1 2 249.318 0.270 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378318996 387776138 /nfs/dbraw/zinc/77/61/38/387776138.db2.gz VDVDBAMRTBCHHL-SNVBAGLBSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378318996 387776142 /nfs/dbraw/zinc/77/61/42/387776142.db2.gz VDVDBAMRTBCHHL-SNVBAGLBSA-N 1 2 249.314 0.810 20 0 BCADLO CCn1ncc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000527922286 387789429 /nfs/dbraw/zinc/78/94/29/387789429.db2.gz DOQUPOKWWRNDOW-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000527922279 387789600 /nfs/dbraw/zinc/78/96/00/387789600.db2.gz DOQUPOKWWRNDOW-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000432437610 387790468 /nfs/dbraw/zinc/79/04/68/387790468.db2.gz RTUBOOQBLJKELV-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO Cc1nc(N(C)CCOCCO)c(C)c(C)[nH+]1 ZINC000425264866 387797893 /nfs/dbraw/zinc/79/78/93/387797893.db2.gz XXERMNZGYYEEHR-UHFFFAOYSA-N 1 2 239.319 0.847 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](CO)[C@H](O)C1 ZINC000527981665 387798312 /nfs/dbraw/zinc/79/83/12/387798312.db2.gz GFGNFKQRRXAPRQ-VHSXEESVSA-N 1 2 238.287 0.270 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](CO)[C@@H](O)C1 ZINC000527981666 387798596 /nfs/dbraw/zinc/79/85/96/387798596.db2.gz GFGNFKQRRXAPRQ-ZJUUUORDSA-N 1 2 238.287 0.270 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](CO)[C@H](O)C1 ZINC000527981640 387798761 /nfs/dbraw/zinc/79/87/61/387798761.db2.gz GFGNFKQRRXAPRQ-NXEZZACHSA-N 1 2 238.287 0.270 20 0 BCADLO Cc1c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cnn1C ZINC000367838377 387756899 /nfs/dbraw/zinc/75/68/99/387756899.db2.gz DAYBEPFEYLTPBO-WDEREUQCSA-N 1 2 207.277 0.702 20 0 BCADLO Cc1c(C[N@H+]2CCO[C@@H]3C[C@@H]32)cnn1C ZINC000367838377 387756904 /nfs/dbraw/zinc/75/69/04/387756904.db2.gz DAYBEPFEYLTPBO-WDEREUQCSA-N 1 2 207.277 0.702 20 0 BCADLO CSc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000356976880 387757171 /nfs/dbraw/zinc/75/71/71/387757171.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N 1 2 241.320 0.559 20 0 BCADLO CSc1nc(NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000356976880 387757176 /nfs/dbraw/zinc/75/71/76/387757176.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N 1 2 241.320 0.559 20 0 BCADLO CSc1n[nH]c(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000356976880 387757182 /nfs/dbraw/zinc/75/71/82/387757182.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N 1 2 241.320 0.559 20 0 BCADLO CSc1n[nH]c(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000356976880 387757187 /nfs/dbraw/zinc/75/71/87/387757187.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N 1 2 241.320 0.559 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)NC1CC1)CC2 ZINC000367824080 387757641 /nfs/dbraw/zinc/75/76/41/387757641.db2.gz WNXKZDPMNGRYCP-UHFFFAOYSA-N 1 2 220.276 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000356980941 387760721 /nfs/dbraw/zinc/76/07/21/387760721.db2.gz FIACVOVXRJUDBY-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000356980941 387760725 /nfs/dbraw/zinc/76/07/25/387760725.db2.gz FIACVOVXRJUDBY-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO Cn1cc(CNC[C@@H](c2ccco2)[NH+](C)C)nn1 ZINC000054858758 387830538 /nfs/dbraw/zinc/83/05/38/387830538.db2.gz AVAZZHZDBKYPOB-NSHDSACASA-N 1 2 249.318 0.801 20 0 BCADLO COc1ccc[nH+]c1N1CCn2nncc2C1 ZINC000528046505 387837390 /nfs/dbraw/zinc/83/73/90/387837390.db2.gz KANVMMNULOAEEJ-UHFFFAOYSA-N 1 2 231.259 0.702 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC[S@@](=O)C1 ZINC000433020046 387851087 /nfs/dbraw/zinc/85/10/87/387851087.db2.gz AXMJQDLSEJAXJS-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CC[S@@](=O)C1 ZINC000433026304 387851806 /nfs/dbraw/zinc/85/18/06/387851806.db2.gz PBHDWTQKWDDRAH-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[S@@](=O)C1 ZINC000433026304 387851828 /nfs/dbraw/zinc/85/18/28/387851828.db2.gz PBHDWTQKWDDRAH-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193853930 387866344 /nfs/dbraw/zinc/86/63/44/387866344.db2.gz FHDZJNNKIWVHCY-BDAKNGLRSA-N 1 2 222.292 0.463 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193853930 387866348 /nfs/dbraw/zinc/86/63/48/387866348.db2.gz FHDZJNNKIWVHCY-BDAKNGLRSA-N 1 2 222.292 0.463 20 0 BCADLO CC/C=C/CNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000452604472 387869783 /nfs/dbraw/zinc/86/97/83/387869783.db2.gz BBTILTXVMIDBER-ZWNMCFTASA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C\CNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000452604468 387870409 /nfs/dbraw/zinc/87/04/09/387870409.db2.gz BBTILTXVMIDBER-DOGVGXBMSA-N 1 2 226.320 0.790 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](NC(C)=O)C1 ZINC000528038356 387819698 /nfs/dbraw/zinc/81/96/98/387819698.db2.gz SVYNLWNZKCLSEH-JTQLQIEISA-N 1 2 235.287 0.805 20 0 BCADLO COCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180140 387891073 /nfs/dbraw/zinc/89/10/73/387891073.db2.gz UTPPWOLIQUBQEO-MRVPVSSYSA-N 1 2 236.262 0.384 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000444643414 387898937 /nfs/dbraw/zinc/89/89/37/387898937.db2.gz VTSIMIIOZFGUKZ-OHUAYANFSA-N 1 2 249.376 0.227 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000444643414 387898940 /nfs/dbraw/zinc/89/89/40/387898940.db2.gz VTSIMIIOZFGUKZ-OHUAYANFSA-N 1 2 249.376 0.227 20 0 BCADLO CSCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424182583 387897615 /nfs/dbraw/zinc/89/76/15/387897615.db2.gz ZSQOIQKHBAMOMF-SSDOTTSWSA-N 1 2 238.303 0.710 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@H](O)C1 ZINC000236573093 387898025 /nfs/dbraw/zinc/89/80/25/387898025.db2.gz VDGQPWKXFUJZQX-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO CSCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424182588 387898000 /nfs/dbraw/zinc/89/80/00/387898000.db2.gz ZSQOIQKHBAMOMF-ZETCQYMHSA-N 1 2 238.303 0.710 20 0 BCADLO COCCCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194599915 387886319 /nfs/dbraw/zinc/88/63/19/387886319.db2.gz YEFQNVPFAXSHLG-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO COCCCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194599915 387886322 /nfs/dbraw/zinc/88/63/22/387886322.db2.gz YEFQNVPFAXSHLG-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO [NH3+][C@@H]1CCC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000423100270 387887984 /nfs/dbraw/zinc/88/79/84/387887984.db2.gz UZHYGJWXIURFPS-VXGBXAGGSA-N 1 2 209.337 0.718 20 0 BCADLO [NH3+][C@@H]1CCC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000423100270 387887988 /nfs/dbraw/zinc/88/79/88/387887988.db2.gz UZHYGJWXIURFPS-VXGBXAGGSA-N 1 2 209.337 0.718 20 0 BCADLO CCn1cc(C[NH2+]Cc2nccc(OC)n2)cn1 ZINC000424194794 387918345 /nfs/dbraw/zinc/91/83/45/387918345.db2.gz WYBKFYMLCJAPOL-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292205896 387908172 /nfs/dbraw/zinc/90/81/72/387908172.db2.gz PDRQZPPROXVGMA-QMMMGPOBSA-N 1 2 224.264 0.108 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292205896 387908177 /nfs/dbraw/zinc/90/81/77/387908177.db2.gz PDRQZPPROXVGMA-QMMMGPOBSA-N 1 2 224.264 0.108 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444694457 387909913 /nfs/dbraw/zinc/90/99/13/387909913.db2.gz ASSOGFJDWDPULM-SSDOTTSWSA-N 1 2 249.240 0.984 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444694457 387909917 /nfs/dbraw/zinc/90/99/17/387909917.db2.gz ASSOGFJDWDPULM-SSDOTTSWSA-N 1 2 249.240 0.984 20 0 BCADLO OC[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCO1 ZINC000168586258 387912381 /nfs/dbraw/zinc/91/23/81/387912381.db2.gz OEWDUKDDVDOHLS-NWDGAFQWSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCO1 ZINC000168586258 387912385 /nfs/dbraw/zinc/91/23/85/387912385.db2.gz OEWDUKDDVDOHLS-NWDGAFQWSA-N 1 2 245.319 0.223 20 0 BCADLO COc1ccnc(C[NH2+]Cc2cnc(C)nc2)n1 ZINC000424190430 387913206 /nfs/dbraw/zinc/91/32/06/387913206.db2.gz OPDBACGKNVKCGO-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO Cn1cncc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177124941 387915688 /nfs/dbraw/zinc/91/56/88/387915688.db2.gz MPOUARDWBPQCIA-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cncc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177124941 387915691 /nfs/dbraw/zinc/91/56/91/387915691.db2.gz MPOUARDWBPQCIA-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO CCC[C@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000444772570 387927982 /nfs/dbraw/zinc/92/79/82/387927982.db2.gz OEBJEULHOXMSTM-LLVKDONJSA-N 1 2 240.307 0.637 20 0 BCADLO CCC[C@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000444772570 387927985 /nfs/dbraw/zinc/92/79/85/387927985.db2.gz OEBJEULHOXMSTM-LLVKDONJSA-N 1 2 240.307 0.637 20 0 BCADLO CC(C)NC(=O)NCC[N@H+](C)Cc1ccon1 ZINC000645807587 387953260 /nfs/dbraw/zinc/95/32/60/387953260.db2.gz PAAJLSVKPGUZHT-UHFFFAOYSA-N 1 2 240.307 0.814 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+](C)Cc1ccon1 ZINC000645807587 387953266 /nfs/dbraw/zinc/95/32/66/387953266.db2.gz PAAJLSVKPGUZHT-UHFFFAOYSA-N 1 2 240.307 0.814 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000438555996 387943318 /nfs/dbraw/zinc/94/33/18/387943318.db2.gz UNZDSOIPFKTQKB-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000438555996 387943324 /nfs/dbraw/zinc/94/33/24/387943324.db2.gz UNZDSOIPFKTQKB-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245637879 387969007 /nfs/dbraw/zinc/96/90/07/387969007.db2.gz CNVNSIKQMVUMGI-DGCLKSJQSA-N 1 2 244.298 0.895 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245637879 387969011 /nfs/dbraw/zinc/96/90/11/387969011.db2.gz CNVNSIKQMVUMGI-DGCLKSJQSA-N 1 2 244.298 0.895 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC000245686495 387972343 /nfs/dbraw/zinc/97/23/43/387972343.db2.gz KVIZCQNUMPHCDF-VHSXEESVSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)nc1 ZINC000245686495 387972347 /nfs/dbraw/zinc/97/23/47/387972347.db2.gz KVIZCQNUMPHCDF-VHSXEESVSA-N 1 2 242.706 0.663 20 0 BCADLO Cn1nncc1CNc1nc[nH+]c(N)c1Cl ZINC000288361010 387980674 /nfs/dbraw/zinc/98/06/74/387980674.db2.gz XQYREPATTHYCDJ-UHFFFAOYSA-N 1 2 239.670 0.453 20 0 BCADLO Cn1nncc1CNc1[nH+]cnc(N)c1Cl ZINC000288361010 387980678 /nfs/dbraw/zinc/98/06/78/387980678.db2.gz XQYREPATTHYCDJ-UHFFFAOYSA-N 1 2 239.670 0.453 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCc2ncsc2C1 ZINC000445839975 387972700 /nfs/dbraw/zinc/97/27/00/387972700.db2.gz NBNWPMRBHVEALL-MRVPVSSYSA-N 1 2 223.301 0.390 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCc2ncsc2C1 ZINC000445839975 387972705 /nfs/dbraw/zinc/97/27/05/387972705.db2.gz NBNWPMRBHVEALL-MRVPVSSYSA-N 1 2 223.301 0.390 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000245688944 387972812 /nfs/dbraw/zinc/97/28/12/387972812.db2.gz OHZGLGWEMHBUGG-QWHCGFSZSA-N 1 2 246.310 0.948 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000245688944 387972816 /nfs/dbraw/zinc/97/28/16/387972816.db2.gz OHZGLGWEMHBUGG-QWHCGFSZSA-N 1 2 246.310 0.948 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC(C)(C)OCCO ZINC000288339182 387974198 /nfs/dbraw/zinc/97/41/98/387974198.db2.gz BGPGNPOJRZAZRV-UHFFFAOYSA-N 1 2 227.308 0.595 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000245869118 387988738 /nfs/dbraw/zinc/98/87/38/387988738.db2.gz VFGCSKGOOZHKIO-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000245869118 387988740 /nfs/dbraw/zinc/98/87/40/387988740.db2.gz VFGCSKGOOZHKIO-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439279497 387988939 /nfs/dbraw/zinc/98/89/39/387988939.db2.gz ANDFXPJTGYVMSQ-GMTAPVOTSA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439279497 387988940 /nfs/dbraw/zinc/98/89/40/387988940.db2.gz ANDFXPJTGYVMSQ-GMTAPVOTSA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439279498 387990205 /nfs/dbraw/zinc/99/02/05/387990205.db2.gz ANDFXPJTGYVMSQ-HBNTYKKESA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439279498 387990207 /nfs/dbraw/zinc/99/02/07/387990207.db2.gz ANDFXPJTGYVMSQ-HBNTYKKESA-N 1 2 245.319 0.674 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000446068873 387992882 /nfs/dbraw/zinc/99/28/82/387992882.db2.gz GGIYITHMMHYZAJ-MXWKQRLJSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000446068873 387992885 /nfs/dbraw/zinc/99/28/85/387992885.db2.gz GGIYITHMMHYZAJ-MXWKQRLJSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)[C@@H](C)O1 ZINC000446083359 387997728 /nfs/dbraw/zinc/99/77/28/387997728.db2.gz RDXVHLOXYOQDCS-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)[C@@H](C)O1 ZINC000446083359 387997737 /nfs/dbraw/zinc/99/77/37/387997737.db2.gz RDXVHLOXYOQDCS-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000252748516 135107780 /nfs/dbraw/zinc/10/77/80/135107780.db2.gz TYOLXFURXQKTDR-UWVGGRQHSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@H](C)C[N@H+]1CCOC[C@H]1C(=O)OC ZINC000252748516 135107782 /nfs/dbraw/zinc/10/77/82/135107782.db2.gz TYOLXFURXQKTDR-UWVGGRQHSA-N 1 2 215.293 0.906 20 0 BCADLO NC(=O)c1cccc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955098 388010487 /nfs/dbraw/zinc/01/04/87/388010487.db2.gz RFMSQNJFNCQQMS-UHFFFAOYSA-N 1 2 247.298 0.107 20 0 BCADLO NC(=O)c1cccc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000065955098 388010489 /nfs/dbraw/zinc/01/04/89/388010489.db2.gz RFMSQNJFNCQQMS-UHFFFAOYSA-N 1 2 247.298 0.107 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000065955205 388010900 /nfs/dbraw/zinc/01/09/00/388010900.db2.gz ZGQZNODVCSTLKO-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000065955205 388010903 /nfs/dbraw/zinc/01/09/03/388010903.db2.gz ZGQZNODVCSTLKO-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO C[N@H+](CC(F)F)CC1(O)CCOCC1 ZINC000156688166 388023968 /nfs/dbraw/zinc/02/39/68/388023968.db2.gz ZNFDOTLNCJXDQD-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO C[N@@H+](CC(F)F)CC1(O)CCOCC1 ZINC000156688166 388023970 /nfs/dbraw/zinc/02/39/70/388023970.db2.gz ZNFDOTLNCJXDQD-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO C[NH+](C)[C@H](CNC(=O)c1cn[nH]n1)c1ccco1 ZINC000108285545 388024274 /nfs/dbraw/zinc/02/42/74/388024274.db2.gz BUHFNGLPXJDDTM-SECBINFHSA-N 1 2 249.274 0.430 20 0 BCADLO C[NH+](C)[C@H](CNC(=O)c1cnn[nH]1)c1ccco1 ZINC000108285545 388024279 /nfs/dbraw/zinc/02/42/79/388024279.db2.gz BUHFNGLPXJDDTM-SECBINFHSA-N 1 2 249.274 0.430 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439905338 388025171 /nfs/dbraw/zinc/02/51/71/388025171.db2.gz UAWNVRVUGYJYFP-SECBINFHSA-N 1 2 207.277 0.924 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000082303290 388026181 /nfs/dbraw/zinc/02/61/81/388026181.db2.gz FILWHFFGVTYYOE-LLVKDONJSA-N 1 2 242.319 0.004 20 0 BCADLO COC[C@@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000440496001 388044510 /nfs/dbraw/zinc/04/45/10/388044510.db2.gz MZATWHYXFUDVOE-SNVBAGLBSA-N 1 2 239.323 0.459 20 0 BCADLO COC[C@@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000440496001 388044514 /nfs/dbraw/zinc/04/45/14/388044514.db2.gz MZATWHYXFUDVOE-SNVBAGLBSA-N 1 2 239.323 0.459 20 0 BCADLO CCOCCNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000440362802 388041069 /nfs/dbraw/zinc/04/10/69/388041069.db2.gz ZRPGDUATPDTCLC-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO CCOCCNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000440362802 388041072 /nfs/dbraw/zinc/04/10/72/388041072.db2.gz ZRPGDUATPDTCLC-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cccnc1 ZINC000082308603 388027339 /nfs/dbraw/zinc/02/73/39/388027339.db2.gz SNZWRSYAIGKMQB-UHFFFAOYSA-N 1 2 216.244 0.595 20 0 BCADLO OCC[NH+]1CCN(CC[C@@H]2CCCO2)CC1 ZINC000083530542 388055541 /nfs/dbraw/zinc/05/55/41/388055541.db2.gz IIOQPXFTHWWLKA-LBPRGKRZSA-N 1 2 228.336 0.165 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(CCOC)CC1 ZINC000440707140 388064423 /nfs/dbraw/zinc/06/44/23/388064423.db2.gz WTKYGFHUJARZMJ-NSHDSACASA-N 1 2 218.316 0.999 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000440689232 388066614 /nfs/dbraw/zinc/06/66/14/388066614.db2.gz ANTYNJOCBJVXOA-MNOVXSKESA-N 1 2 242.298 0.727 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000440689232 388066617 /nfs/dbraw/zinc/06/66/17/388066617.db2.gz ANTYNJOCBJVXOA-MNOVXSKESA-N 1 2 242.298 0.727 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(=O)[nH]c1 ZINC000084081367 388069651 /nfs/dbraw/zinc/06/96/51/388069651.db2.gz MFZZMQVWNIMHOO-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(=O)[nH]c1 ZINC000084081367 388069655 /nfs/dbraw/zinc/06/96/55/388069655.db2.gz MFZZMQVWNIMHOO-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2ncn(C)n2)c[nH+]1 ZINC000440704353 388071398 /nfs/dbraw/zinc/07/13/98/388071398.db2.gz VERFVICZDACQJQ-ZCFIWIBFSA-N 1 2 234.263 0.338 20 0 BCADLO COC[C@H]([NH2+]C1CC(C)C1)C(=O)OC ZINC000336658398 388074545 /nfs/dbraw/zinc/07/45/45/388074545.db2.gz QIIKIAVDFPYJDF-HACHORDNSA-N 1 2 201.266 0.563 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000447731464 388088861 /nfs/dbraw/zinc/08/88/61/388088861.db2.gz UVCKSWCJRJHHLF-ZYHUDNBSSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000447731464 388088863 /nfs/dbraw/zinc/08/88/63/388088863.db2.gz UVCKSWCJRJHHLF-ZYHUDNBSSA-N 1 2 237.303 0.565 20 0 BCADLO NC(=O)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117751409 388091421 /nfs/dbraw/zinc/09/14/21/388091421.db2.gz HGTCVSAVNJDSQV-UHFFFAOYSA-N 1 2 244.254 0.087 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447827041 388095540 /nfs/dbraw/zinc/09/55/40/388095540.db2.gz ANDGLHLKDMNQEL-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447827041 388095543 /nfs/dbraw/zinc/09/55/43/388095543.db2.gz ANDGLHLKDMNQEL-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO CO[C@@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000163942075 388106098 /nfs/dbraw/zinc/10/60/98/388106098.db2.gz FWLUZCFPENWOQS-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cnc(N)s1 ZINC000086766014 388107398 /nfs/dbraw/zinc/10/73/98/388107398.db2.gz XMKIRMDQRKSDTO-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cnc(N)s1 ZINC000086766014 388107401 /nfs/dbraw/zinc/10/74/01/388107401.db2.gz XMKIRMDQRKSDTO-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000086765960 388107808 /nfs/dbraw/zinc/10/78/08/388107808.db2.gz LRAHZYIOLUJIRC-UHFFFAOYSA-N 1 2 242.348 0.813 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000086765960 388107810 /nfs/dbraw/zinc/10/78/10/388107810.db2.gz LRAHZYIOLUJIRC-UHFFFAOYSA-N 1 2 242.348 0.813 20 0 BCADLO Cn1nnc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000440499650 388044903 /nfs/dbraw/zinc/04/49/03/388044903.db2.gz ACPSZSANKLUFNP-GHMZBOCLSA-N 1 2 237.307 0.257 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000440499444 388045108 /nfs/dbraw/zinc/04/51/08/388045108.db2.gz NMISWUDTHSBONI-DJLDLDEBSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000440499444 388045112 /nfs/dbraw/zinc/04/51/12/388045112.db2.gz NMISWUDTHSBONI-DJLDLDEBSA-N 1 2 219.256 0.343 20 0 BCADLO CCCc1csc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000446977373 388045742 /nfs/dbraw/zinc/04/57/42/388045742.db2.gz NKMPPCBEZSJXEB-NXEZZACHSA-N 1 2 242.344 0.633 20 0 BCADLO CCOCCOC1C[NH+](C[C@H](O)COCC)C1 ZINC000446995749 388048532 /nfs/dbraw/zinc/04/85/32/388048532.db2.gz FXCVZGBXNILAPH-NSHDSACASA-N 1 2 247.335 0.121 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ncnn1CCF ZINC000646144764 388156544 /nfs/dbraw/zinc/15/65/44/388156544.db2.gz NSODSSNPGNXWDG-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ncnn1CCF ZINC000646144764 388156547 /nfs/dbraw/zinc/15/65/47/388156547.db2.gz NSODSSNPGNXWDG-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC000151907462 388170320 /nfs/dbraw/zinc/17/03/20/388170320.db2.gz CJQXVPWZELUGID-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC000151907462 388170322 /nfs/dbraw/zinc/17/03/22/388170322.db2.gz CJQXVPWZELUGID-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO COCC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259477 388171311 /nfs/dbraw/zinc/17/13/11/388171311.db2.gz GGMPGWSILOJTBD-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO COCC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259477 388171314 /nfs/dbraw/zinc/17/13/14/388171314.db2.gz GGMPGWSILOJTBD-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO COC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000646261288 388171819 /nfs/dbraw/zinc/17/18/19/388171819.db2.gz AFEPIHWQFVBCLE-UHFFFAOYSA-N 1 2 235.287 0.864 20 0 BCADLO COC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000646261288 388171820 /nfs/dbraw/zinc/17/18/20/388171820.db2.gz AFEPIHWQFVBCLE-UHFFFAOYSA-N 1 2 235.287 0.864 20 0 BCADLO CCO[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260977 388172984 /nfs/dbraw/zinc/17/29/84/388172984.db2.gz VRCQDHWVLSJKRZ-QMMMGPOBSA-N 1 2 223.276 0.719 20 0 BCADLO CCO[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260977 388172986 /nfs/dbraw/zinc/17/29/86/388172986.db2.gz VRCQDHWVLSJKRZ-QMMMGPOBSA-N 1 2 223.276 0.719 20 0 BCADLO CSC[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164254614 388183456 /nfs/dbraw/zinc/18/34/56/388183456.db2.gz KOTDLHMJMNZSFR-VIFPVBQESA-N 1 2 215.322 0.613 20 0 BCADLO CC/C=C\CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000454446742 388118389 /nfs/dbraw/zinc/11/83/89/388118389.db2.gz UWPRCFJPBPRSFH-WYGGZMRJSA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C\CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000454446742 388118391 /nfs/dbraw/zinc/11/83/91/388118391.db2.gz UWPRCFJPBPRSFH-WYGGZMRJSA-N 1 2 241.335 0.582 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000454443406 388118495 /nfs/dbraw/zinc/11/84/95/388118495.db2.gz RHCAUGJCTRICAU-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000454443406 388118497 /nfs/dbraw/zinc/11/84/97/388118497.db2.gz RHCAUGJCTRICAU-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)[nH]1 ZINC000645989313 388118607 /nfs/dbraw/zinc/11/86/07/388118607.db2.gz CDIXDAGDGMOJRI-SFYZADRCSA-N 1 2 224.264 0.121 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)[nH]1 ZINC000645989313 388118608 /nfs/dbraw/zinc/11/86/08/388118608.db2.gz CDIXDAGDGMOJRI-SFYZADRCSA-N 1 2 224.264 0.121 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC000171402156 388124848 /nfs/dbraw/zinc/12/48/48/388124848.db2.gz AIHVKAYCMXHOGF-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC000171402156 388124849 /nfs/dbraw/zinc/12/48/49/388124849.db2.gz AIHVKAYCMXHOGF-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO CCC[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036423 388130298 /nfs/dbraw/zinc/13/02/98/388130298.db2.gz CQTPJJOIKOUBOK-SNVBAGLBSA-N 1 2 233.333 0.286 20 0 BCADLO CCC[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036423 388130300 /nfs/dbraw/zinc/13/03/00/388130300.db2.gz CQTPJJOIKOUBOK-SNVBAGLBSA-N 1 2 233.333 0.286 20 0 BCADLO O=S1(=O)CC[C@]2(C1)C[N@H+](CC1CC1)CCO2 ZINC000646035346 388130403 /nfs/dbraw/zinc/13/04/03/388130403.db2.gz HOURCKCIKTYSID-LLVKDONJSA-N 1 2 245.344 0.286 20 0 BCADLO O=S1(=O)CC[C@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000646035346 388130405 /nfs/dbraw/zinc/13/04/05/388130405.db2.gz HOURCKCIKTYSID-LLVKDONJSA-N 1 2 245.344 0.286 20 0 BCADLO O=S1(=O)CC[C@@]2(C1)C[N@H+](CC1CC1)CCO2 ZINC000646035347 388130428 /nfs/dbraw/zinc/13/04/28/388130428.db2.gz HOURCKCIKTYSID-NSHDSACASA-N 1 2 245.344 0.286 20 0 BCADLO O=S1(=O)CC[C@@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000646035347 388130429 /nfs/dbraw/zinc/13/04/29/388130429.db2.gz HOURCKCIKTYSID-NSHDSACASA-N 1 2 245.344 0.286 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)n1 ZINC000249631343 388132229 /nfs/dbraw/zinc/13/22/29/388132229.db2.gz VHVHEYFGPAURJF-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)n1 ZINC000249631343 388132232 /nfs/dbraw/zinc/13/22/32/388132232.db2.gz VHVHEYFGPAURJF-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO COc1ncccc1C[N@H+](C)CCNC(C)=O ZINC000646047360 388132301 /nfs/dbraw/zinc/13/23/01/388132301.db2.gz QTZDLLDIGBZGHA-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO COc1ncccc1C[N@@H+](C)CCNC(C)=O ZINC000646047360 388132303 /nfs/dbraw/zinc/13/23/03/388132303.db2.gz QTZDLLDIGBZGHA-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1conc1C ZINC000646053768 388133061 /nfs/dbraw/zinc/13/30/61/388133061.db2.gz PKNLFUHEIQLRFW-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1conc1C ZINC000646053768 388133063 /nfs/dbraw/zinc/13/30/63/388133063.db2.gz PKNLFUHEIQLRFW-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000646059208 388134246 /nfs/dbraw/zinc/13/42/46/388134246.db2.gz MBSXLJRVJZDPQN-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000646059208 388134249 /nfs/dbraw/zinc/13/42/49/388134249.db2.gz MBSXLJRVJZDPQN-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cn[nH]c2C)C[C@H]1OC ZINC000488557128 388186934 /nfs/dbraw/zinc/18/69/34/388186934.db2.gz KKTGJUVOEVWSSF-GHMZBOCLSA-N 1 2 225.292 0.564 20 0 BCADLO C[C@H]1C(=O)N(C)CN1CCCn1cc[nH+]c1 ZINC000646127229 388148961 /nfs/dbraw/zinc/14/89/61/388148961.db2.gz YDDDWOSLMSNENK-JTQLQIEISA-N 1 2 222.292 0.393 20 0 BCADLO OCc1cc[nH+]c(NC[C@@H](O)C(F)(F)F)c1 ZINC000641530674 388151507 /nfs/dbraw/zinc/15/15/07/388151507.db2.gz QZPVOMJVXOPXAI-SSDOTTSWSA-N 1 2 236.193 0.909 20 0 BCADLO CCOC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000087781264 256531614 /nfs/dbraw/zinc/53/16/14/256531614.db2.gz FDLFIVICQOHUOT-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO CCCN(CC(N)=O)c1[nH+]cnc2c1cnn2C ZINC000488761278 388194921 /nfs/dbraw/zinc/19/49/21/388194921.db2.gz NVRRFBKBGJZSJM-UHFFFAOYSA-N 1 2 248.290 0.065 20 0 BCADLO CCOC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000488963596 388199593 /nfs/dbraw/zinc/19/95/93/388199593.db2.gz WPTKRCMGVHXQLE-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449502449 388219521 /nfs/dbraw/zinc/21/95/21/388219521.db2.gz GRCRAJWQGZXRBW-WCQYABFASA-N 1 2 241.331 0.936 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc(CO)cc1 ZINC000163408865 388282262 /nfs/dbraw/zinc/28/22/62/388282262.db2.gz NMVONBAHSDRNPE-UHFFFAOYSA-N 1 2 223.272 0.784 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000163408865 388282263 /nfs/dbraw/zinc/28/22/63/388282263.db2.gz NMVONBAHSDRNPE-UHFFFAOYSA-N 1 2 223.272 0.784 20 0 BCADLO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)OC ZINC000451772602 388294670 /nfs/dbraw/zinc/29/46/70/388294670.db2.gz KNOAKFHSLWHENM-BDAKNGLRSA-N 1 2 229.276 0.481 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\C2CC2)C1 ZINC000491948622 388329238 /nfs/dbraw/zinc/32/92/38/388329238.db2.gz KJICWZVYUBEGDG-FOQNGQEVSA-N 1 2 237.347 0.315 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\C2CC2)C1 ZINC000491948622 388329239 /nfs/dbraw/zinc/32/92/39/388329239.db2.gz KJICWZVYUBEGDG-FOQNGQEVSA-N 1 2 237.347 0.315 20 0 BCADLO C[N@H+](CC(N)=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451327618 388263340 /nfs/dbraw/zinc/26/33/40/388263340.db2.gz SMEQQWRAURYEFV-JTQLQIEISA-N 1 2 242.706 0.791 20 0 BCADLO C[N@@H+](CC(N)=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451327618 388263341 /nfs/dbraw/zinc/26/33/41/388263341.db2.gz SMEQQWRAURYEFV-JTQLQIEISA-N 1 2 242.706 0.791 20 0 BCADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CF)CC1 ZINC000451392879 388269332 /nfs/dbraw/zinc/26/93/32/388269332.db2.gz KKLRSBXQAYIMJF-QMMMGPOBSA-N 1 2 227.287 0.953 20 0 BCADLO C[C@H](c1nnnn1C)[NH+]1CCC(CF)CC1 ZINC000451392878 388269502 /nfs/dbraw/zinc/26/95/02/388269502.db2.gz KKLRSBXQAYIMJF-MRVPVSSYSA-N 1 2 227.287 0.953 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436745 388273346 /nfs/dbraw/zinc/27/33/46/388273346.db2.gz SEBDARAVJSSODE-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436745 388273348 /nfs/dbraw/zinc/27/33/48/388273348.db2.gz SEBDARAVJSSODE-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](C)O ZINC000492318802 388341398 /nfs/dbraw/zinc/34/13/98/388341398.db2.gz JOQFMAFBDRUIRC-XNPJLODASA-N 1 2 223.276 0.413 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C(N)=O)CC1 ZINC000492407442 388343777 /nfs/dbraw/zinc/34/37/77/388343777.db2.gz JZVDEYSHMGWVHS-ONEGZZNKSA-N 1 2 248.286 0.050 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CO1 ZINC000162241641 388348839 /nfs/dbraw/zinc/34/88/39/388348839.db2.gz KKVOWRAFOJKZFR-YUMQZZPRSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CO1 ZINC000162241641 388348841 /nfs/dbraw/zinc/34/88/41/388348841.db2.gz KKVOWRAFOJKZFR-YUMQZZPRSA-N 1 2 209.249 0.451 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1=CCCOC1)C1CC1 ZINC000276483817 388349978 /nfs/dbraw/zinc/34/99/78/388349978.db2.gz OVSCCXWWQPOGIU-LLVKDONJSA-N 1 2 225.288 0.874 20 0 BCADLO COC(=O)[C@H](NCc1c[nH+]cn1C)C1CC1 ZINC000276500114 388350131 /nfs/dbraw/zinc/35/01/31/388350131.db2.gz ROQGTVAEXRUIRR-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO CC[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000277284013 388353701 /nfs/dbraw/zinc/35/37/01/388353701.db2.gz AUJOVMOTVHQAAO-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000277284013 388353703 /nfs/dbraw/zinc/35/37/03/388353703.db2.gz AUJOVMOTVHQAAO-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](CC(=O)N[C@H]1C[C@@](C)(O)C1)n1cc[nH+]c1 ZINC000516576545 388354383 /nfs/dbraw/zinc/35/43/83/388354383.db2.gz VXDYLSBHARIOSG-FOGDFJRCSA-N 1 2 237.303 0.864 20 0 BCADLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nn[nH]n1 ZINC000648788513 388356757 /nfs/dbraw/zinc/35/67/57/388356757.db2.gz KCKRRHFLKOMHPK-ZETCQYMHSA-N 1 2 249.278 0.548 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1cscn1 ZINC000234875076 388361603 /nfs/dbraw/zinc/36/16/03/388361603.db2.gz KIMAQZXWUYEOEZ-MRVPVSSYSA-N 1 2 202.279 0.240 20 0 BCADLO CC[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000227840768 388371315 /nfs/dbraw/zinc/37/13/15/388371315.db2.gz MUNNIAUUNFDYDE-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000227840768 388371317 /nfs/dbraw/zinc/37/13/17/388371317.db2.gz MUNNIAUUNFDYDE-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000291196085 388373099 /nfs/dbraw/zinc/37/30/99/388373099.db2.gz JJBLEQRDTGFHNI-LURJTMIESA-N 1 2 201.295 0.659 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000291196085 388373102 /nfs/dbraw/zinc/37/31/02/388373102.db2.gz JJBLEQRDTGFHNI-LURJTMIESA-N 1 2 201.295 0.659 20 0 BCADLO Cc1nc(C[NH2+]CC2(O)CCCC2)no1 ZINC000235928535 388376069 /nfs/dbraw/zinc/37/60/69/388376069.db2.gz PDKQQWXEDUKXOB-UHFFFAOYSA-N 1 2 211.265 0.773 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000355548217 388378710 /nfs/dbraw/zinc/37/87/10/388378710.db2.gz NDYUSPROLIQELU-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000355548217 388378711 /nfs/dbraw/zinc/37/87/11/388378711.db2.gz NDYUSPROLIQELU-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133265375 388381662 /nfs/dbraw/zinc/38/16/62/388381662.db2.gz ACRPCQWYWPAOAS-MNOVXSKESA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133265151 388381684 /nfs/dbraw/zinc/38/16/84/388381684.db2.gz ACRPCQWYWPAOAS-QWRGUYRKSA-N 1 2 248.330 0.663 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000519799280 256660140 /nfs/dbraw/zinc/66/01/40/256660140.db2.gz QNTPEGXDQUOKSY-AXFHLTTASA-N 1 2 235.287 0.567 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236912485 388386882 /nfs/dbraw/zinc/38/68/82/388386882.db2.gz AOCULHASCZAJAE-KOLCDFICSA-N 1 2 216.325 0.901 20 0 BCADLO CC[C@](C)(NC(=O)C[NH3+])c1nccs1 ZINC000236917723 388386941 /nfs/dbraw/zinc/38/69/41/388386941.db2.gz HURVTIIQDAMCEX-VIFPVBQESA-N 1 2 213.306 0.843 20 0 BCADLO COC[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237234678 388391489 /nfs/dbraw/zinc/39/14/89/388391489.db2.gz MAFYSLFMMHDMCC-ZETCQYMHSA-N 1 2 209.249 0.885 20 0 BCADLO c1[nH]c2nccnc2c1C[NH+]1CCOCC1 ZINC000238007099 388400591 /nfs/dbraw/zinc/40/05/91/388400591.db2.gz DQJRUBRCUXTDRM-UHFFFAOYSA-N 1 2 218.260 0.790 20 0 BCADLO CCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000243091824 388403062 /nfs/dbraw/zinc/40/30/62/388403062.db2.gz IWWHGRJKTYABMB-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000243091824 388403066 /nfs/dbraw/zinc/40/30/66/388403066.db2.gz IWWHGRJKTYABMB-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CSC ZINC000492112329 388335392 /nfs/dbraw/zinc/33/53/92/388335392.db2.gz WQNUYKIRQCFHMC-DTWKUNHWSA-N 1 2 235.349 0.594 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CSC ZINC000492112329 388335393 /nfs/dbraw/zinc/33/53/93/388335393.db2.gz WQNUYKIRQCFHMC-DTWKUNHWSA-N 1 2 235.349 0.594 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[C@@H]21 ZINC000646732737 388440636 /nfs/dbraw/zinc/44/06/36/388440636.db2.gz BRWJMWARLLDTRJ-VHSXEESVSA-N 1 2 221.260 0.273 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCC1=O ZINC000526018386 388454591 /nfs/dbraw/zinc/45/45/91/388454591.db2.gz FMHQRXULMRALIN-SECBINFHSA-N 1 2 235.287 0.400 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194904513 388455282 /nfs/dbraw/zinc/45/52/82/388455282.db2.gz RITLJNSVTXLYKB-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194904513 388455283 /nfs/dbraw/zinc/45/52/83/388455283.db2.gz RITLJNSVTXLYKB-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC000649215638 388459260 /nfs/dbraw/zinc/45/92/60/388459260.db2.gz QPZNDQHDSXWDBJ-SCVCMEIPSA-N 1 2 249.314 0.285 20 0 BCADLO Cn1cc(CNc2ccc(CO)c[nH+]2)nn1 ZINC000336657356 388459278 /nfs/dbraw/zinc/45/92/78/388459278.db2.gz AXKGNYMAWALNSE-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1CC1 ZINC000074916974 388462431 /nfs/dbraw/zinc/46/24/31/388462431.db2.gz YYNHAXFTSCGPMK-UHFFFAOYSA-N 1 2 212.293 0.187 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226405 388462507 /nfs/dbraw/zinc/46/25/07/388462507.db2.gz QVMORAMTRGXDJT-JFGNBEQYSA-N 1 2 249.314 0.427 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226404 388462610 /nfs/dbraw/zinc/46/26/10/388462610.db2.gz QVMORAMTRGXDJT-CKYFFXLPSA-N 1 2 249.314 0.427 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000649224662 388462686 /nfs/dbraw/zinc/46/26/86/388462686.db2.gz CCHANIMNKHYOLJ-ADEWGFFLSA-N 1 2 247.298 0.445 20 0 BCADLO Cc1c[nH]nc1C[NH2+]C(C)(C)CS(C)(=O)=O ZINC000336713480 388467036 /nfs/dbraw/zinc/46/70/36/388467036.db2.gz UHRBOMROVRDHDL-UHFFFAOYSA-N 1 2 245.348 0.631 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)c1cn[nH]n1 ZINC000194180971 388481713 /nfs/dbraw/zinc/48/17/13/388481713.db2.gz ASEVKHNFFQHYOB-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405481085 388475616 /nfs/dbraw/zinc/47/56/16/388475616.db2.gz NBVUVACIIJHTDN-GHMZBOCLSA-N 1 2 222.336 0.678 20 0 BCADLO C[C@@H](O)[C@H](C)[NH2+]Cc1nc(-c2ccncc2)n[nH]1 ZINC000516454440 388477104 /nfs/dbraw/zinc/47/71/04/388477104.db2.gz QANNVWYOMAZLPL-DTWKUNHWSA-N 1 2 247.302 0.726 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)nc1 ZINC000339014443 388478270 /nfs/dbraw/zinc/47/82/70/388478270.db2.gz SSQXFGHVQMOYRD-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@@H](CO)C2)nc1 ZINC000339014443 388478273 /nfs/dbraw/zinc/47/82/73/388478273.db2.gz SSQXFGHVQMOYRD-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000245454919 388418802 /nfs/dbraw/zinc/41/88/02/388418802.db2.gz AIFYCMJWPHXICM-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000245454919 388418804 /nfs/dbraw/zinc/41/88/04/388418804.db2.gz AIFYCMJWPHXICM-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000400018629 388423376 /nfs/dbraw/zinc/42/33/76/388423376.db2.gz AWXNRNNHHCMEDT-ZJUUUORDSA-N 1 2 223.276 0.112 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000648835544 388428270 /nfs/dbraw/zinc/42/82/70/388428270.db2.gz WOWAVIBDQCVYHQ-QMMMGPOBSA-N 1 2 235.287 0.562 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000648835544 388428271 /nfs/dbraw/zinc/42/82/71/388428271.db2.gz WOWAVIBDQCVYHQ-QMMMGPOBSA-N 1 2 235.287 0.562 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnn2c1CCC2 ZINC000573195696 388430959 /nfs/dbraw/zinc/43/09/59/388430959.db2.gz WPNPUHUHRJKSLH-UHFFFAOYSA-N 1 2 244.254 0.604 20 0 BCADLO CC[N@H+](CCc1cn[nH]c1)CC(=O)OC ZINC000297975027 388432696 /nfs/dbraw/zinc/43/26/96/388432696.db2.gz XPXUVFBHDPNDLP-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO CC[N@@H+](CCc1cn[nH]c1)CC(=O)OC ZINC000297975027 388432700 /nfs/dbraw/zinc/43/27/00/388432700.db2.gz XPXUVFBHDPNDLP-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO C[C@H](CO)CNC(=O)NCCCn1cc[nH+]c1 ZINC000193790267 388434078 /nfs/dbraw/zinc/43/40/78/388434078.db2.gz SQBJUCQTTNQXEI-JTQLQIEISA-N 1 2 240.307 0.201 20 0 BCADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)cc1 ZINC000026207640 388434238 /nfs/dbraw/zinc/43/42/38/388434238.db2.gz SLGYLEILBQQNAP-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)cc1 ZINC000026207640 388434240 /nfs/dbraw/zinc/43/42/40/388434240.db2.gz SLGYLEILBQQNAP-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO COC(=O)NCCNc1nc[nH+]c(N)c1Cl ZINC000308373638 388437299 /nfs/dbraw/zinc/43/72/99/388437299.db2.gz REMFTJJGYNOLAN-UHFFFAOYSA-N 1 2 245.670 0.480 20 0 BCADLO COC(=O)NCCNc1[nH+]cnc(N)c1Cl ZINC000308373638 388437302 /nfs/dbraw/zinc/43/73/02/388437302.db2.gz REMFTJJGYNOLAN-UHFFFAOYSA-N 1 2 245.670 0.480 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000528515433 388540250 /nfs/dbraw/zinc/54/02/50/388540250.db2.gz GOQMWZBYKTYQGY-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cnccc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000528515433 388540251 /nfs/dbraw/zinc/54/02/51/388540251.db2.gz GOQMWZBYKTYQGY-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO COCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517239353 388544319 /nfs/dbraw/zinc/54/43/19/388544319.db2.gz SDAUVQCWRKBNIE-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CCN1CCC[N@H+](Cc2ncccc2O)CC1=O ZINC000517348494 388546633 /nfs/dbraw/zinc/54/66/33/388546633.db2.gz INIVHAWGUDGJBY-UHFFFAOYSA-N 1 2 249.314 0.841 20 0 BCADLO CCN1CCC[N@@H+](Cc2ncccc2O)CC1=O ZINC000517348494 388546635 /nfs/dbraw/zinc/54/66/35/388546635.db2.gz INIVHAWGUDGJBY-UHFFFAOYSA-N 1 2 249.314 0.841 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C)c1cccc(O)c1 ZINC000341813258 388496782 /nfs/dbraw/zinc/49/67/82/388496782.db2.gz VNRYQRUKIIYAOL-MRVPVSSYSA-N 1 2 233.275 0.767 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](CC(F)F)C(C)C ZINC000343819006 388503589 /nfs/dbraw/zinc/50/35/89/388503589.db2.gz PPESMBMVCPBNFV-JTQLQIEISA-N 1 2 239.262 0.886 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](CC(F)F)C(C)C ZINC000343819006 388503590 /nfs/dbraw/zinc/50/35/90/388503590.db2.gz PPESMBMVCPBNFV-JTQLQIEISA-N 1 2 239.262 0.886 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1ncnn1CC ZINC000345825802 388515771 /nfs/dbraw/zinc/51/57/71/388515771.db2.gz DZXPJJJEAGMFNW-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1ncnn1CC ZINC000345825802 388515773 /nfs/dbraw/zinc/51/57/73/388515773.db2.gz DZXPJJJEAGMFNW-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)n1cccn1 ZINC000548132011 388516190 /nfs/dbraw/zinc/51/61/90/388516190.db2.gz MDNSNEHPSXPLEK-JTQLQIEISA-N 1 2 247.302 0.537 20 0 BCADLO CCC[C@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000378840114 388519265 /nfs/dbraw/zinc/51/92/65/388519265.db2.gz XNKCIUGTKVSTDP-MRVPVSSYSA-N 1 2 213.285 0.115 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCCO1 ZINC000548191140 388521048 /nfs/dbraw/zinc/52/10/48/388521048.db2.gz AYUKKUQFRUIBDP-GFCCVEGCSA-N 1 2 237.303 0.648 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000347760915 388523242 /nfs/dbraw/zinc/52/32/42/388523242.db2.gz LIZPHDKSKFDNGF-SSDOTTSWSA-N 1 2 213.281 0.969 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000347760915 388523245 /nfs/dbraw/zinc/52/32/45/388523245.db2.gz LIZPHDKSKFDNGF-SSDOTTSWSA-N 1 2 213.281 0.969 20 0 BCADLO C/C(Cl)=C/C[N@@H+](C)[C@@H]1CCNC1=O ZINC000528427435 388524018 /nfs/dbraw/zinc/52/40/18/388524018.db2.gz WURJIQZNCZQFIR-RBMBQVQZSA-N 1 2 202.685 0.949 20 0 BCADLO C/C(Cl)=C/C[N@H+](C)[C@@H]1CCNC1=O ZINC000528427435 388524021 /nfs/dbraw/zinc/52/40/21/388524021.db2.gz WURJIQZNCZQFIR-RBMBQVQZSA-N 1 2 202.685 0.949 20 0 BCADLO CCOCCNC(=O)NCCn1cc[nH+]c1 ZINC000079254249 388528402 /nfs/dbraw/zinc/52/84/02/388528402.db2.gz PLKFOWJGHUGQBC-UHFFFAOYSA-N 1 2 226.280 0.219 20 0 BCADLO Cn1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1=O ZINC000548386155 388532681 /nfs/dbraw/zinc/53/26/81/388532681.db2.gz HCBADRQJEWOJBJ-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351809559 388534363 /nfs/dbraw/zinc/53/43/63/388534363.db2.gz LUTLMKWMEIIWQL-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351809559 388534366 /nfs/dbraw/zinc/53/43/66/388534366.db2.gz LUTLMKWMEIIWQL-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCn2cnnc2C1 ZINC000517040705 388534593 /nfs/dbraw/zinc/53/45/93/388534593.db2.gz WWOKXBCLDLMDTD-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000352350414 388535380 /nfs/dbraw/zinc/53/53/80/388535380.db2.gz QVZNRZWRRBLTQX-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000352350414 388535382 /nfs/dbraw/zinc/53/53/82/388535382.db2.gz QVZNRZWRRBLTQX-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1ncccc1Cl ZINC000528503994 388535981 /nfs/dbraw/zinc/53/59/81/388535981.db2.gz LTDSHRLKOZJXNO-SECBINFHSA-N 1 2 244.722 0.910 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1ncccc1Cl ZINC000528503994 388535984 /nfs/dbraw/zinc/53/59/84/388535984.db2.gz LTDSHRLKOZJXNO-SECBINFHSA-N 1 2 244.722 0.910 20 0 BCADLO COC[C@H](CCO)[NH2+]Cc1cn[nH]c1C ZINC000219136160 388588611 /nfs/dbraw/zinc/58/86/11/388588611.db2.gz MTJTVMGKRBIMLG-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000529792882 388589552 /nfs/dbraw/zinc/58/95/52/388589552.db2.gz HGJJTGYOXMDMIQ-RNCFNFMXSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000529792882 388589555 /nfs/dbraw/zinc/58/95/55/388589555.db2.gz HGJJTGYOXMDMIQ-RNCFNFMXSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cncnc2)c[nH+]1 ZINC000529934007 388599447 /nfs/dbraw/zinc/59/94/47/388599447.db2.gz KTJARTHJVLOYBV-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000550187178 388601349 /nfs/dbraw/zinc/60/13/49/388601349.db2.gz AFDHHGMHFFQRPP-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000550187178 388601351 /nfs/dbraw/zinc/60/13/51/388601351.db2.gz AFDHHGMHFFQRPP-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000245917743 388610402 /nfs/dbraw/zinc/61/04/02/388610402.db2.gz SDIMRMLSPDOGBJ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000245917743 388610404 /nfs/dbraw/zinc/61/04/04/388610404.db2.gz SDIMRMLSPDOGBJ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000285713300 388550850 /nfs/dbraw/zinc/55/08/50/388550850.db2.gz WNKBVKLGVRKADZ-RKDXNWHRSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000285713300 388550854 /nfs/dbraw/zinc/55/08/54/388550854.db2.gz WNKBVKLGVRKADZ-RKDXNWHRSA-N 1 2 212.249 0.175 20 0 BCADLO CO[C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000517452029 388551559 /nfs/dbraw/zinc/55/15/59/388551559.db2.gz LRYQEALASMAUIV-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000548655204 388551744 /nfs/dbraw/zinc/55/17/44/388551744.db2.gz CSERZBSEIPSVCA-UWVGGRQHSA-N 1 2 237.303 0.598 20 0 BCADLO CNC(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000528618327 388551826 /nfs/dbraw/zinc/55/18/26/388551826.db2.gz DXRGPLFLOTYYEF-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CNC(=O)NC[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000528618327 388551829 /nfs/dbraw/zinc/55/18/29/388551829.db2.gz DXRGPLFLOTYYEF-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](OC)C1 ZINC000517497723 388552461 /nfs/dbraw/zinc/55/24/61/388552461.db2.gz ULBBXMOXBQOMEH-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](OC)C1 ZINC000517497723 388552462 /nfs/dbraw/zinc/55/24/62/388552462.db2.gz ULBBXMOXBQOMEH-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCOC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000528713993 388559191 /nfs/dbraw/zinc/55/91/91/388559191.db2.gz AEJBIQITSHTAOF-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000528713993 388559193 /nfs/dbraw/zinc/55/91/93/388559193.db2.gz AEJBIQITSHTAOF-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000528717874 388560338 /nfs/dbraw/zinc/56/03/38/388560338.db2.gz JFMIHOPVNCPUPR-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO CCOC[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000528717874 388560342 /nfs/dbraw/zinc/56/03/42/388560342.db2.gz JFMIHOPVNCPUPR-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO CCOC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000528723991 388561993 /nfs/dbraw/zinc/56/19/93/388561993.db2.gz VGJCZZSWQJOCLN-SNVBAGLBSA-N 1 2 225.292 0.647 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000362970011 388562053 /nfs/dbraw/zinc/56/20/53/388562053.db2.gz QVVAOGDUSUXLNR-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO CCOC[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000528722632 388562487 /nfs/dbraw/zinc/56/24/87/388562487.db2.gz IDNORMAKJBKVLJ-JTQLQIEISA-N 1 2 231.292 0.097 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000528722632 388562489 /nfs/dbraw/zinc/56/24/89/388562489.db2.gz IDNORMAKJBKVLJ-JTQLQIEISA-N 1 2 231.292 0.097 20 0 BCADLO CCOC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000528732400 388563073 /nfs/dbraw/zinc/56/30/73/388563073.db2.gz PWLKCSXRLDCOJK-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO CCOC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000528732400 388563077 /nfs/dbraw/zinc/56/30/77/388563077.db2.gz PWLKCSXRLDCOJK-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO Cc1nsc(N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000368624974 388569003 /nfs/dbraw/zinc/56/90/03/388569003.db2.gz PKCUGBCSONCJGV-ZETCQYMHSA-N 1 2 235.316 0.961 20 0 BCADLO Cc1nsc(N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000368624974 388569006 /nfs/dbraw/zinc/56/90/06/388569006.db2.gz PKCUGBCSONCJGV-ZETCQYMHSA-N 1 2 235.316 0.961 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000528764917 388569310 /nfs/dbraw/zinc/56/93/10/388569310.db2.gz PBIHHOPEBCYOPN-AYHNYZOXSA-N 1 2 226.280 0.412 20 0 BCADLO CSCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368651540 388570032 /nfs/dbraw/zinc/57/00/32/388570032.db2.gz VDISOROEOCXQIY-SSDOTTSWSA-N 1 2 238.303 0.853 20 0 BCADLO O=C(OCC1CC1)N1CC[NH+](CCO)CC1 ZINC000184306861 388575727 /nfs/dbraw/zinc/57/57/27/388575727.db2.gz JSKZEGAUPDURMH-UHFFFAOYSA-N 1 2 228.292 0.143 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000245437040 388578736 /nfs/dbraw/zinc/57/87/36/388578736.db2.gz RGWSIYBHLAXRMT-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000245437040 388578739 /nfs/dbraw/zinc/57/87/39/388578739.db2.gz RGWSIYBHLAXRMT-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191528486 388665234 /nfs/dbraw/zinc/66/52/34/388665234.db2.gz CWDJVDXWHVLPGY-KCJUWKMLSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191528486 388665236 /nfs/dbraw/zinc/66/52/36/388665236.db2.gz CWDJVDXWHVLPGY-KCJUWKMLSA-N 1 2 225.292 0.300 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000248131962 388674620 /nfs/dbraw/zinc/67/46/20/388674620.db2.gz WPUHYMZKOOSSJY-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000248131962 388674622 /nfs/dbraw/zinc/67/46/22/388674622.db2.gz WPUHYMZKOOSSJY-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCc1nnc(NC(=O)C[NH+](CC)CC)[nH]1 ZINC000125756071 388676416 /nfs/dbraw/zinc/67/64/16/388676416.db2.gz ZVUZOOUJHGLXIM-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCc1n[nH]c(NC(=O)C[NH+](CC)CC)n1 ZINC000125756071 388676419 /nfs/dbraw/zinc/67/64/19/388676419.db2.gz ZVUZOOUJHGLXIM-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCc1nc(NC(=O)C[NH+](CC)CC)n[nH]1 ZINC000125756071 388676422 /nfs/dbraw/zinc/67/64/22/388676422.db2.gz ZVUZOOUJHGLXIM-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000248395165 388677859 /nfs/dbraw/zinc/67/78/59/388677859.db2.gz IXYCGDPWWNUKAG-DJLDLDEBSA-N 1 2 228.292 0.182 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000009531954 388678554 /nfs/dbraw/zinc/67/85/54/388678554.db2.gz ZCGWTNGHYVYWDW-ZETCQYMHSA-N 1 2 221.264 0.546 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CNC(=O)C1CC1 ZINC000522075780 388683865 /nfs/dbraw/zinc/68/38/65/388683865.db2.gz WVMIGGCFULDYRW-UHFFFAOYSA-N 1 2 233.271 0.277 20 0 BCADLO CC[C@H]1COCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000192741657 388683956 /nfs/dbraw/zinc/68/39/56/388683956.db2.gz WDXQRUDXBIRBHZ-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1COCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000192741657 388683958 /nfs/dbraw/zinc/68/39/58/388683958.db2.gz WDXQRUDXBIRBHZ-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1Cc2cccnc2C1 ZINC000551046361 388619854 /nfs/dbraw/zinc/61/98/54/388619854.db2.gz FRJLAUMSFKLZEX-LBPRGKRZSA-N 1 2 244.298 0.655 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1Cc2cccnc2C1 ZINC000551046361 388619855 /nfs/dbraw/zinc/61/98/55/388619855.db2.gz FRJLAUMSFKLZEX-LBPRGKRZSA-N 1 2 244.298 0.655 20 0 BCADLO CN1CC[N@H+](CC(=O)N2CCC2)CC1(C)C ZINC000551047161 388620278 /nfs/dbraw/zinc/62/02/78/388620278.db2.gz WIJOOBGABIINSX-UHFFFAOYSA-N 1 2 225.336 0.245 20 0 BCADLO CN1CC[N@@H+](CC(=O)N2CCC2)CC1(C)C ZINC000551047161 388620281 /nfs/dbraw/zinc/62/02/81/388620281.db2.gz WIJOOBGABIINSX-UHFFFAOYSA-N 1 2 225.336 0.245 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000551064516 388621550 /nfs/dbraw/zinc/62/15/50/388621550.db2.gz ACSFBFBERMKRRH-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000551064516 388621554 /nfs/dbraw/zinc/62/15/54/388621554.db2.gz ACSFBFBERMKRRH-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO CC(=O)C1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000521644094 388621708 /nfs/dbraw/zinc/62/17/08/388621708.db2.gz XKQPPHIJQGMXES-SSDOTTSWSA-N 1 2 221.260 0.956 20 0 BCADLO O=C1N[C@H](c2c[nH]c[nH+]2)N2CCCC[C@H]12 ZINC000078757084 388684201 /nfs/dbraw/zinc/68/42/01/388684201.db2.gz XWCHBBDVTDEKKC-BDAKNGLRSA-N 1 2 206.249 0.393 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2nncs2)[C@@H](C)C1 ZINC000530186312 388625071 /nfs/dbraw/zinc/62/50/71/388625071.db2.gz GGBWNXWSYBVQFB-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2nncs2)[C@@H](C)C1 ZINC000530186312 388625073 /nfs/dbraw/zinc/62/50/73/388625073.db2.gz GGBWNXWSYBVQFB-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C(=O)OC ZINC000228702619 388626865 /nfs/dbraw/zinc/62/68/65/388626865.db2.gz YGPALDNCGORISY-CIUDSAMLSA-N 1 2 203.282 0.545 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCOCC(F)F ZINC000189366004 388632106 /nfs/dbraw/zinc/63/21/06/388632106.db2.gz KYCGXVLXBSKZEM-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOCC(F)F ZINC000189366004 388632108 /nfs/dbraw/zinc/63/21/08/388632108.db2.gz KYCGXVLXBSKZEM-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CCn1ncc(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000530236676 388638367 /nfs/dbraw/zinc/63/83/67/388638367.db2.gz WGIFKUDVOTURHZ-SSDOTTSWSA-N 1 2 238.213 0.311 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC)C(C)C ZINC000083399602 388638629 /nfs/dbraw/zinc/63/86/29/388638629.db2.gz RTFGEGAAMUBXLA-DTWKUNHWSA-N 1 2 203.282 0.809 20 0 BCADLO O=C(C[N@@H+]1CCC(=O)CC12CCC2)NC1CC1 ZINC000521894971 388639379 /nfs/dbraw/zinc/63/93/79/388639379.db2.gz YSTZLMSYWRJDRN-UHFFFAOYSA-N 1 2 236.315 0.853 20 0 BCADLO O=C(C[N@H+]1CCC(=O)CC12CCC2)NC1CC1 ZINC000521894971 388639382 /nfs/dbraw/zinc/63/93/82/388639382.db2.gz YSTZLMSYWRJDRN-UHFFFAOYSA-N 1 2 236.315 0.853 20 0 BCADLO O=C(NCc1c[nH+]c2n1CCCC2)c1cn[nH]n1 ZINC000551780765 388639962 /nfs/dbraw/zinc/63/99/62/388639962.db2.gz GVADQLGQLWAOCX-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO O=C(NCc1c[nH+]c2n1CCCC2)c1cnn[nH]1 ZINC000551780765 388639965 /nfs/dbraw/zinc/63/99/65/388639965.db2.gz GVADQLGQLWAOCX-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000190141833 388647536 /nfs/dbraw/zinc/64/75/36/388647536.db2.gz VUVAUPLQABCARO-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000190141833 388647538 /nfs/dbraw/zinc/64/75/38/388647538.db2.gz VUVAUPLQABCARO-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@H](C[N@@H+]1C[C@@H](C)OC[C@@H]1C)CS(C)(=O)=O ZINC000246697867 388648872 /nfs/dbraw/zinc/64/88/72/388648872.db2.gz ZBQFUIPOUYUKSL-OUAUKWLOSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1C[C@@H](C)OC[C@@H]1C)CS(C)(=O)=O ZINC000246697867 388648875 /nfs/dbraw/zinc/64/88/75/388648875.db2.gz ZBQFUIPOUYUKSL-OUAUKWLOSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC[C@H]1CCCO1 ZINC000530340218 388651017 /nfs/dbraw/zinc/65/10/17/388651017.db2.gz XLXUYXNVHJQCDM-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000530340218 388651018 /nfs/dbraw/zinc/65/10/18/388651018.db2.gz XLXUYXNVHJQCDM-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)COC)C1CC1 ZINC000190834612 388656907 /nfs/dbraw/zinc/65/69/07/388656907.db2.gz HASNTLIRXMSTQZ-MWLCHTKSSA-N 1 2 245.319 0.410 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)COC)C1CC1 ZINC000190834612 388656911 /nfs/dbraw/zinc/65/69/11/388656911.db2.gz HASNTLIRXMSTQZ-MWLCHTKSSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000191433595 388663496 /nfs/dbraw/zinc/66/34/96/388663496.db2.gz HORYHRKWJCJQTN-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000191433595 388663497 /nfs/dbraw/zinc/66/34/97/388663497.db2.gz HORYHRKWJCJQTN-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000067457207 388734225 /nfs/dbraw/zinc/73/42/25/388734225.db2.gz BVAILGGZKOWCLB-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000067457207 388734226 /nfs/dbraw/zinc/73/42/26/388734226.db2.gz BVAILGGZKOWCLB-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000067457206 388734400 /nfs/dbraw/zinc/73/44/00/388734400.db2.gz IUFJRNYWENSABA-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000067457206 388734402 /nfs/dbraw/zinc/73/44/02/388734402.db2.gz IUFJRNYWENSABA-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000067457243 388734474 /nfs/dbraw/zinc/73/44/74/388734474.db2.gz YBUVFQHUKHVYDT-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000067457243 388734477 /nfs/dbraw/zinc/73/44/77/388734477.db2.gz YBUVFQHUKHVYDT-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC000194611713 388736853 /nfs/dbraw/zinc/73/68/53/388736853.db2.gz BLFTXLAKAVAZGT-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC000194611713 388736856 /nfs/dbraw/zinc/73/68/56/388736856.db2.gz BLFTXLAKAVAZGT-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CCc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)[nH]n1 ZINC000522258412 388737698 /nfs/dbraw/zinc/73/76/98/388737698.db2.gz UDKUJOAJPUVDDW-UHFFFAOYSA-N 1 2 245.286 0.866 20 0 BCADLO CCc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)n[nH]1 ZINC000522258412 388737701 /nfs/dbraw/zinc/73/77/01/388737701.db2.gz UDKUJOAJPUVDDW-UHFFFAOYSA-N 1 2 245.286 0.866 20 0 BCADLO C[C@@H](C(=O)Nc1ccncc1)[NH+]1CC(C)C1 ZINC000552882802 388739402 /nfs/dbraw/zinc/73/94/02/388739402.db2.gz AKAAEDWRZLLYLS-JTQLQIEISA-N 1 2 219.288 0.782 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000553095141 388747517 /nfs/dbraw/zinc/74/75/17/388747517.db2.gz HWRNCOFQGUACFM-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CC(C)OC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000539249103 388751589 /nfs/dbraw/zinc/75/15/89/388751589.db2.gz GIQWEWNFLOQIBQ-UHFFFAOYSA-N 1 2 240.307 0.900 20 0 BCADLO C[C@@H](NCc1nnnn1CC1CC1)c1[nH]cc[nH+]1 ZINC000552283091 388689438 /nfs/dbraw/zinc/68/94/38/388689438.db2.gz YAHAXKDLHDLNCQ-MRVPVSSYSA-N 1 2 247.306 0.657 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000248939100 388699766 /nfs/dbraw/zinc/69/97/66/388699766.db2.gz NQDXTVHDXZFHCX-GXSJLCMTSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000248939100 388699769 /nfs/dbraw/zinc/69/97/69/388699769.db2.gz NQDXTVHDXZFHCX-GXSJLCMTSA-N 1 2 212.293 0.376 20 0 BCADLO O=C([O-])[C@@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000126711368 388701130 /nfs/dbraw/zinc/70/11/30/388701130.db2.gz JJXAFCBPUXTNBV-VIFPVBQESA-N 1 2 241.316 0.385 20 0 BCADLO O=C([O-])[C@@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000126711368 388701132 /nfs/dbraw/zinc/70/11/32/388701132.db2.gz JJXAFCBPUXTNBV-VIFPVBQESA-N 1 2 241.316 0.385 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)[C@@H](C)O ZINC000249030060 388704180 /nfs/dbraw/zinc/70/41/80/388704180.db2.gz LNGUIGRBUPCTKZ-SGIHWFKDSA-N 1 2 215.293 0.687 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CCCN(C)C1=O ZINC000538712099 388707940 /nfs/dbraw/zinc/70/79/40/388707940.db2.gz UATLQALPTLDXHO-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnn(C)c1 ZINC000195431012 388708581 /nfs/dbraw/zinc/70/85/81/388708581.db2.gz FONRUZZGZSZESR-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnn(C)c1 ZINC000195431012 388708585 /nfs/dbraw/zinc/70/85/85/388708585.db2.gz FONRUZZGZSZESR-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000126928479 388709319 /nfs/dbraw/zinc/70/93/19/388709319.db2.gz OTLSGZMUPBIOJO-MWLCHTKSSA-N 1 2 233.308 0.315 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000126928264 388709775 /nfs/dbraw/zinc/70/97/75/388709775.db2.gz OTLSGZMUPBIOJO-KOLCDFICSA-N 1 2 233.308 0.315 20 0 BCADLO CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193937608 388719971 /nfs/dbraw/zinc/71/99/71/388719971.db2.gz QKJOZGGGFNDOOK-UHFFFAOYSA-N 1 2 244.254 0.557 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000249408078 388720351 /nfs/dbraw/zinc/72/03/51/388720351.db2.gz CPTFVYCFEQGWFH-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1CC[N@H+]1CCOC[C@@H]1C ZINC000249408078 388720353 /nfs/dbraw/zinc/72/03/53/388720353.db2.gz CPTFVYCFEQGWFH-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@H]1O ZINC000249504855 388723710 /nfs/dbraw/zinc/72/37/10/388723710.db2.gz HOGJWPMAHQCEKW-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)CC[C@H]1O ZINC000249504855 388723712 /nfs/dbraw/zinc/72/37/12/388723712.db2.gz HOGJWPMAHQCEKW-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C(=O)c1ccccc1 ZINC000194109259 388723752 /nfs/dbraw/zinc/72/37/52/388723752.db2.gz ICOCOAFGRSNCMG-UHFFFAOYSA-N 1 2 243.266 0.882 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000067126276 388729490 /nfs/dbraw/zinc/72/94/90/388729490.db2.gz RPPJZQYPPLAXOL-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000067126276 388729492 /nfs/dbraw/zinc/72/94/92/388729492.db2.gz RPPJZQYPPLAXOL-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H]1COCCN1CC[N@@H+]1CCOC[C@H]1C ZINC000249630841 388731316 /nfs/dbraw/zinc/73/13/16/388731316.db2.gz VENOGXOEJQZNQK-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1COCCN1CC[N@H+]1CCOC[C@H]1C ZINC000249630841 388731317 /nfs/dbraw/zinc/73/13/17/388731317.db2.gz VENOGXOEJQZNQK-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507908 388792395 /nfs/dbraw/zinc/79/23/95/388792395.db2.gz BUPPPOSPAQSUIB-VHSXEESVSA-N 1 2 226.320 0.812 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507908 388792398 /nfs/dbraw/zinc/79/23/98/388792398.db2.gz BUPPPOSPAQSUIB-VHSXEESVSA-N 1 2 226.320 0.812 20 0 BCADLO Cc1cc(N2CCOC[C@H]2CCO)nc[nH+]1 ZINC000095986691 388799560 /nfs/dbraw/zinc/79/95/60/388799560.db2.gz HTMVJBQVEZYYBP-SNVBAGLBSA-N 1 2 223.276 0.373 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(O)cc2)CC(=O)N1 ZINC000648751797 388806930 /nfs/dbraw/zinc/80/69/30/388806930.db2.gz HAUHANQWRHAWIN-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC(=O)N1 ZINC000648751797 388806935 /nfs/dbraw/zinc/80/69/35/388806935.db2.gz HAUHANQWRHAWIN-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO O=C(c1ccon1)N1CC[NH+](C2CC2)CC1 ZINC000128972525 388808707 /nfs/dbraw/zinc/80/87/07/388808707.db2.gz GRTVRLKXEJBDPD-UHFFFAOYSA-N 1 2 221.260 0.595 20 0 BCADLO COC1(C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000554312375 388808888 /nfs/dbraw/zinc/80/88/88/388808888.db2.gz HZEDOJSJNHPSMF-UHFFFAOYSA-N 1 2 209.249 0.130 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000230012251 388810202 /nfs/dbraw/zinc/81/02/02/388810202.db2.gz RXZFBULASKILEL-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000230012251 388810206 /nfs/dbraw/zinc/81/02/06/388810206.db2.gz RXZFBULASKILEL-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)CCN(C)c1nc[nH+]c(N)c1Cl ZINC000227849449 388759750 /nfs/dbraw/zinc/75/97/50/388759750.db2.gz NXGNNBAPBMJEHU-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO C[C@H](O)CCN(C)c1[nH+]cnc(N)c1Cl ZINC000227849449 388759752 /nfs/dbraw/zinc/75/97/52/388759752.db2.gz NXGNNBAPBMJEHU-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO CCOC(=O)N1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000227872728 388761166 /nfs/dbraw/zinc/76/11/66/388761166.db2.gz YAPATQFDFGAZQV-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000227970653 388762920 /nfs/dbraw/zinc/76/29/20/388762920.db2.gz OOLQLAIZYXHJQC-WCBMZHEXSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(C2CC2)CC1 ZINC000128485110 388764427 /nfs/dbraw/zinc/76/44/27/388764427.db2.gz KJHWFBBDJSUESO-JTQLQIEISA-N 1 2 225.336 0.243 20 0 BCADLO COCC[N@H+](Cc1cnoc1C)[C@H](C)C(N)=O ZINC000128566469 388771944 /nfs/dbraw/zinc/77/19/44/388771944.db2.gz NGIUAHBRYDQSMI-MRVPVSSYSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cnoc1C)[C@H](C)C(N)=O ZINC000128566469 388771947 /nfs/dbraw/zinc/77/19/47/388771947.db2.gz NGIUAHBRYDQSMI-MRVPVSSYSA-N 1 2 241.291 0.305 20 0 BCADLO Cc1oncc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000128594512 388774888 /nfs/dbraw/zinc/77/48/88/388774888.db2.gz SCHJTCMOFOXFAG-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1oncc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000128594512 388774890 /nfs/dbraw/zinc/77/48/90/388774890.db2.gz SCHJTCMOFOXFAG-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2CCCN(C)C2=O)cn1 ZINC000554513726 388818474 /nfs/dbraw/zinc/81/84/74/388818474.db2.gz FRLZJHNYWKJULB-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2CCCN(C)C2=O)cn1 ZINC000554513726 388818476 /nfs/dbraw/zinc/81/84/76/388818476.db2.gz FRLZJHNYWKJULB-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO COCc1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000554639039 388825680 /nfs/dbraw/zinc/82/56/80/388825680.db2.gz MZSRBZFFCMWPJW-UHFFFAOYSA-N 1 2 245.286 0.881 20 0 BCADLO COC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000648759501 388841030 /nfs/dbraw/zinc/84/10/30/388841030.db2.gz GWBZQLNWEDZTGB-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000648759501 388841035 /nfs/dbraw/zinc/84/10/35/388841035.db2.gz GWBZQLNWEDZTGB-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO Cn1ccc(C[NH2+]CC(F)(F)CO)c1 ZINC000231776336 388842844 /nfs/dbraw/zinc/84/28/44/388842844.db2.gz OZOOJTBENBNKJX-UHFFFAOYSA-N 1 2 204.220 0.742 20 0 BCADLO Cc1nn(C)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689929 388852568 /nfs/dbraw/zinc/85/25/68/388852568.db2.gz BUZJKQTWZZOTEI-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523699896 388855099 /nfs/dbraw/zinc/85/50/99/388855099.db2.gz VMYPEEDYUYCFPY-UHFFFAOYSA-N 1 2 231.259 0.802 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CS1 ZINC000567510058 388855336 /nfs/dbraw/zinc/85/53/36/388855336.db2.gz UAONZNYIRAJSRJ-BDAKNGLRSA-N 1 2 225.317 0.893 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000555669763 388858465 /nfs/dbraw/zinc/85/84/65/388858465.db2.gz KURVXIVOBSDAKZ-NXEZZACHSA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000555669763 388858466 /nfs/dbraw/zinc/85/84/66/388858466.db2.gz KURVXIVOBSDAKZ-NXEZZACHSA-N 1 2 245.319 0.003 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000555880365 388861887 /nfs/dbraw/zinc/86/18/87/388861887.db2.gz LETWNKOOXWPGIP-VHSXEESVSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000555880365 388861889 /nfs/dbraw/zinc/86/18/89/388861889.db2.gz LETWNKOOXWPGIP-VHSXEESVSA-N 1 2 224.308 0.788 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000555976167 388864075 /nfs/dbraw/zinc/86/40/75/388864075.db2.gz VYGIUFMYRFUHCV-WDEREUQCSA-N 1 2 247.335 0.561 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CC1(CO)COC1 ZINC000129698321 388865658 /nfs/dbraw/zinc/86/56/58/388865658.db2.gz ANCLDYRULQSSOV-JTQLQIEISA-N 1 2 245.319 0.267 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CC1(CO)COC1 ZINC000129698321 388865661 /nfs/dbraw/zinc/86/56/61/388865661.db2.gz ANCLDYRULQSSOV-JTQLQIEISA-N 1 2 245.319 0.267 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1CCC1(C)C ZINC000541889124 388873850 /nfs/dbraw/zinc/87/38/50/388873850.db2.gz JTQLEPFFBKBBCB-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1CCC1(C)C ZINC000541889124 388873852 /nfs/dbraw/zinc/87/38/52/388873852.db2.gz JTQLEPFFBKBBCB-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO Cn1ncc2c1nc(NC[C@@H]1CCCO1)[nH+]c2N ZINC000302581682 388848099 /nfs/dbraw/zinc/84/80/99/388848099.db2.gz UBZYKKPZQCTYHZ-ZETCQYMHSA-N 1 2 248.290 0.536 20 0 BCADLO Cc1c([C@H](C)NC(=O)Cn2cc[nH+]c2)cnn1C ZINC000564639844 388882093 /nfs/dbraw/zinc/88/20/93/388882093.db2.gz HYZNKWQHHUDETP-VIFPVBQESA-N 1 2 247.302 0.802 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)OCC)CC1 ZINC000070928430 388884751 /nfs/dbraw/zinc/88/47/51/388884751.db2.gz IJYYEWLUDOOJOE-UHFFFAOYSA-N 1 2 230.308 0.797 20 0 BCADLO C[C@@H]1SCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000649172187 388889425 /nfs/dbraw/zinc/88/94/25/388889425.db2.gz CFACBWYRHAHGIG-WCBMZHEXSA-N 1 2 239.344 0.973 20 0 BCADLO CC(C)OC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000564799006 388890551 /nfs/dbraw/zinc/89/05/51/388890551.db2.gz FIXKYLSMXNKOKX-DTWKUNHWSA-N 1 2 241.278 0.378 20 0 BCADLO COC[C@@H](C)N(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000564835221 388892675 /nfs/dbraw/zinc/89/26/75/388892675.db2.gz FXUDLBPQYKARGZ-VXNVDRBHSA-N 1 2 243.332 0.636 20 0 BCADLO Cc1cnn(C)c1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000564563027 388878628 /nfs/dbraw/zinc/87/86/28/388878628.db2.gz OEIULVHQBWGAEM-UHFFFAOYSA-N 1 2 241.276 0.252 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000565171114 388920758 /nfs/dbraw/zinc/92/07/58/388920758.db2.gz KPTMPYUHIGHLTD-UHFFFAOYSA-N 1 2 230.275 0.392 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000565171114 388920760 /nfs/dbraw/zinc/92/07/60/388920760.db2.gz KPTMPYUHIGHLTD-UHFFFAOYSA-N 1 2 230.275 0.392 20 0 BCADLO COCC1(O)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000270329798 132196475 /nfs/dbraw/zinc/19/64/75/132196475.db2.gz WYMLSVCWSDXKQE-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H]([C@@H](C)O)C1 ZINC000163129418 388932910 /nfs/dbraw/zinc/93/29/10/388932910.db2.gz DHQINMVTLXXUAA-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H]([C@@H](C)O)C1 ZINC000163129418 388932906 /nfs/dbraw/zinc/93/29/06/388932906.db2.gz DHQINMVTLXXUAA-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCN1CC(F)F ZINC000153389298 388967223 /nfs/dbraw/zinc/96/72/23/388967223.db2.gz SJQDMOVKMPEFPS-IUCAKERBSA-N 1 2 249.305 0.522 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCN1CC(F)F ZINC000153389298 388967226 /nfs/dbraw/zinc/96/72/26/388967226.db2.gz SJQDMOVKMPEFPS-IUCAKERBSA-N 1 2 249.305 0.522 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000565402895 388942074 /nfs/dbraw/zinc/94/20/74/388942074.db2.gz FSYJXAJVXCHSAI-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000565402895 388942076 /nfs/dbraw/zinc/94/20/76/388942076.db2.gz FSYJXAJVXCHSAI-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cccc[nH+]1 ZINC000290493335 132216947 /nfs/dbraw/zinc/21/69/47/132216947.db2.gz ACQRZQKFHZWWND-SECBINFHSA-N 1 2 205.261 0.796 20 0 BCADLO CCOCCN(CC)C(=O)Cc1c[nH+]cn1C ZINC000565851905 388974190 /nfs/dbraw/zinc/97/41/90/388974190.db2.gz LADFYLIJILYZOM-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COC(C)C ZINC000267217329 388999214 /nfs/dbraw/zinc/99/92/14/388999214.db2.gz NQJRLYFSWSRHLQ-UHFFFAOYSA-N 1 2 211.265 0.759 20 0 BCADLO Cc1ccnc(NC[C@H]2CN3CC[NH+]2CC3)n1 ZINC000269468749 389009818 /nfs/dbraw/zinc/00/98/18/389009818.db2.gz ISHOPPJFVGNTDW-NSHDSACASA-N 1 2 233.319 0.197 20 0 BCADLO Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000269468749 389009816 /nfs/dbraw/zinc/00/98/16/389009816.db2.gz ISHOPPJFVGNTDW-NSHDSACASA-N 1 2 233.319 0.197 20 0 BCADLO CCn1ccnc(N2CCCC[NH2+]2)c1=O ZINC000289132219 132307194 /nfs/dbraw/zinc/30/71/94/132307194.db2.gz NJVGDQYCXHEHJU-UHFFFAOYSA-N 1 2 208.265 0.368 20 0 BCADLO COC(=O)CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493425029 533308330 /nfs/dbraw/zinc/30/83/30/533308330.db2.gz CSWKQQURAXUHNH-IHWYPQMZSA-N 1 2 249.270 0.635 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)C(C)C ZINC000496201645 533340863 /nfs/dbraw/zinc/34/08/63/533340863.db2.gz XCVRJCKQQFRPOG-DTWKUNHWSA-N 1 2 244.291 0.224 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495725380 533394472 /nfs/dbraw/zinc/39/44/72/533394472.db2.gz FAIDJFPZFVWQIB-DTWKUNHWSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495725380 533394473 /nfs/dbraw/zinc/39/44/73/533394473.db2.gz FAIDJFPZFVWQIB-DTWKUNHWSA-N 1 2 242.275 0.074 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ncc[nH]2)C[C@H]1OC ZINC000488058702 533480656 /nfs/dbraw/zinc/48/06/56/533480656.db2.gz AIWZUQHCOCJLDR-RKDXNWHRSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1OC ZINC000488058702 533480659 /nfs/dbraw/zinc/48/06/59/533480659.db2.gz AIWZUQHCOCJLDR-RKDXNWHRSA-N 1 2 211.265 0.255 20 0 BCADLO C[C@@H](O)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493396812 533639537 /nfs/dbraw/zinc/63/95/37/533639537.db2.gz FNFXIKHOGAHPDC-MPJRPATESA-N 1 2 209.249 0.262 20 0 BCADLO C[C@@H](O)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493396814 533640327 /nfs/dbraw/zinc/64/03/27/533640327.db2.gz FNFXIKHOGAHPDC-TUUFMJSCSA-N 1 2 209.249 0.262 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265975358 132183710 /nfs/dbraw/zinc/18/37/10/132183710.db2.gz XBPWAPKKNKICBV-SNVBAGLBSA-N 1 2 249.314 0.388 20 0 BCADLO Cc1nc(N2CCS(=O)(=O)C[C@@H]2C)cc[nH+]1 ZINC000266196449 132185384 /nfs/dbraw/zinc/18/53/84/132185384.db2.gz CLGRRYCJYFEKIN-QMMMGPOBSA-N 1 2 241.316 0.408 20 0 BCADLO CCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267275290 132189254 /nfs/dbraw/zinc/18/92/54/132189254.db2.gz NLYHETZDKBGBAP-UHFFFAOYSA-N 1 2 241.316 0.688 20 0 BCADLO C[C@H]1OCCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC000268801635 132192894 /nfs/dbraw/zinc/19/28/94/132192894.db2.gz JLXKBSDUPQOPBE-RKDXNWHRSA-N 1 2 247.302 0.977 20 0 BCADLO O=C(CO)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000270767106 132197657 /nfs/dbraw/zinc/19/76/57/132197657.db2.gz OSIBWSKLFLWHEL-UHFFFAOYSA-N 1 2 249.314 0.680 20 0 BCADLO CN1CCN(C[C@H]2CNC(=O)O2)c2ccc[nH+]c21 ZINC000272214497 132200089 /nfs/dbraw/zinc/20/00/89/132200089.db2.gz DWFGEVFSLQWJEC-SECBINFHSA-N 1 2 248.286 0.446 20 0 BCADLO C[C@@H]1COCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000277960737 132207852 /nfs/dbraw/zinc/20/78/52/132207852.db2.gz KRTKQCYSSNQCTA-SSDOTTSWSA-N 1 2 248.290 0.171 20 0 BCADLO Cc1nc(N2CC(=O)N(C)[C@@H](C)C2)cc[nH+]1 ZINC000283415035 132212709 /nfs/dbraw/zinc/21/27/09/132212709.db2.gz GIEQTIVKWJWZPJ-QMMMGPOBSA-N 1 2 220.276 0.452 20 0 BCADLO COC(=O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000340515403 132221137 /nfs/dbraw/zinc/22/11/37/132221137.db2.gz CXRLMJORBYFOPG-UHFFFAOYSA-N 1 2 249.314 0.685 20 0 BCADLO Cc1cc(N2CCC(CO)CC2)nc[nH+]1 ZINC000040727698 132224409 /nfs/dbraw/zinc/22/44/09/132224409.db2.gz WKUFZUUUCJZZHV-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO CCc1nc(N2CCO[C@@H](CO)C2)cc(C)[nH+]1 ZINC000283765262 132238671 /nfs/dbraw/zinc/23/86/71/132238671.db2.gz NQWDKWJMIVMYMP-SNVBAGLBSA-N 1 2 237.303 0.545 20 0 BCADLO CCn1ccnc(N2CCn3c[nH+]cc3C2)c1=O ZINC000329742941 132244649 /nfs/dbraw/zinc/24/46/49/132244649.db2.gz WXNKPQQVWAGOEO-UHFFFAOYSA-N 1 2 245.286 0.480 20 0 BCADLO Cc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)nc[nH+]1 ZINC000301247573 132252229 /nfs/dbraw/zinc/25/22/29/132252229.db2.gz QQCNSLMMIHGHBR-UWVGGRQHSA-N 1 2 234.303 0.875 20 0 BCADLO Cc1cc(N2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301275955 132252580 /nfs/dbraw/zinc/25/25/80/132252580.db2.gz WNVBGBOQOVREOC-VIFPVBQESA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N2C[C@@H](C(N)=O)CC[C@H]2C)cc[nH+]1 ZINC000301335878 132253222 /nfs/dbraw/zinc/25/32/22/132253222.db2.gz CVQKOYBNESDNMX-SCZZXKLOSA-N 1 2 234.303 0.875 20 0 BCADLO OC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000302793137 132266609 /nfs/dbraw/zinc/26/66/09/132266609.db2.gz NBMQFEINMUOBTQ-WDEREUQCSA-N 1 2 249.314 0.534 20 0 BCADLO CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000030634532 132267723 /nfs/dbraw/zinc/26/77/23/132267723.db2.gz XMSOPRMOHXYTMZ-UHFFFAOYSA-N 1 2 235.287 0.554 20 0 BCADLO COC[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000361093867 132279869 /nfs/dbraw/zinc/27/98/69/132279869.db2.gz CYJWPKDYHGZIPT-SNVBAGLBSA-N 1 2 223.276 0.637 20 0 BCADLO Cc1nc(N2CC[C@H](O)[C@H](C)C2)cc[nH+]1 ZINC000127154802 132298638 /nfs/dbraw/zinc/29/86/38/132298638.db2.gz DOFDOKQNQCPKBU-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031326981 132334765 /nfs/dbraw/zinc/33/47/65/132334765.db2.gz AGNDIMYSPQYCIL-UHFFFAOYSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@H](CO)C2)cc[nH+]1 ZINC000299918770 132362064 /nfs/dbraw/zinc/36/20/64/132362064.db2.gz VNNMAEAMSSQLHH-WPRPVWTQSA-N 1 2 223.276 0.371 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CCC(=O)C2)CC1 ZINC000335494244 133866047 /nfs/dbraw/zinc/86/60/47/133866047.db2.gz LXZJUKSRSWKKSG-VIFPVBQESA-N 1 2 210.277 0.130 20 0 BCADLO c1nc2n(n1)CC[N@@H+](Cc1cccnc1)C2 ZINC000351914788 134001547 /nfs/dbraw/zinc/00/15/47/134001547.db2.gz DZMNRDHCPVKWKN-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1nc2n(n1)CC[N@H+](Cc1cccnc1)C2 ZINC000351914788 134001548 /nfs/dbraw/zinc/00/15/48/134001548.db2.gz DZMNRDHCPVKWKN-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccnn2C)CC[S@@]1=O ZINC000335925558 134008561 /nfs/dbraw/zinc/00/85/61/134008561.db2.gz DHPHMOYIODXQEO-QFYYESIMSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccnn2C)CC[S@@]1=O ZINC000335925558 134008562 /nfs/dbraw/zinc/00/85/62/134008562.db2.gz DHPHMOYIODXQEO-QFYYESIMSA-N 1 2 241.360 0.415 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C)C1 ZINC000335926769 134009137 /nfs/dbraw/zinc/00/91/37/134009137.db2.gz TWYTVODQBZZTMJ-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C)C1 ZINC000335926769 134009138 /nfs/dbraw/zinc/00/91/38/134009138.db2.gz TWYTVODQBZZTMJ-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC1 ZINC000335949432 134021371 /nfs/dbraw/zinc/02/13/71/134021371.db2.gz SVWNVWSFRFNIRX-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC1 ZINC000335949432 134021372 /nfs/dbraw/zinc/02/13/72/134021372.db2.gz SVWNVWSFRFNIRX-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335958976 134023932 /nfs/dbraw/zinc/02/39/32/134023932.db2.gz MCPJAELLKMULMF-APPZFPTMSA-N 1 2 204.245 0.707 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335958976 134023933 /nfs/dbraw/zinc/02/39/33/134023933.db2.gz MCPJAELLKMULMF-APPZFPTMSA-N 1 2 204.245 0.707 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335959201 134024301 /nfs/dbraw/zinc/02/43/01/134024301.db2.gz QSGGBRKXJGPGBV-MWLCHTKSSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000335959201 134024302 /nfs/dbraw/zinc/02/43/02/134024302.db2.gz QSGGBRKXJGPGBV-MWLCHTKSSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000335964266 134027712 /nfs/dbraw/zinc/02/77/12/134027712.db2.gz WECUUYRMEPANGC-GWCFXTLKSA-N 1 2 249.314 0.741 20 0 BCADLO COC[C@@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000336020658 134055220 /nfs/dbraw/zinc/05/52/20/134055220.db2.gz SINZZLCDYITFMC-SECBINFHSA-N 1 2 238.291 0.443 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCC3)C[C@H]21 ZINC000336051162 134064686 /nfs/dbraw/zinc/06/46/86/134064686.db2.gz MHYZDPZSOREEHC-GHMZBOCLSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCC3)C[C@H]21 ZINC000336051162 134064687 /nfs/dbraw/zinc/06/46/87/134064687.db2.gz MHYZDPZSOREEHC-GHMZBOCLSA-N 1 2 239.319 0.263 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(O)CCC2)C1 ZINC000336069580 134071360 /nfs/dbraw/zinc/07/13/60/134071360.db2.gz MRCBTFXBBPRRRG-SNVBAGLBSA-N 1 2 249.314 0.651 20 0 BCADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC000336089280 134077820 /nfs/dbraw/zinc/07/78/20/134077820.db2.gz WAQFLGXPALREQW-VIFPVBQESA-N 1 2 247.298 0.894 20 0 BCADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC000336089280 134077821 /nfs/dbraw/zinc/07/78/21/134077821.db2.gz WAQFLGXPALREQW-VIFPVBQESA-N 1 2 247.298 0.894 20 0 BCADLO O=C([C@H]1CCC[C@H](O)C1)N1CCn2c[nH+]cc2C1 ZINC000336104380 134084392 /nfs/dbraw/zinc/08/43/92/134084392.db2.gz BVMUBSBKGLZVGN-JQWIXIFHSA-N 1 2 249.314 0.776 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccoc1 ZINC000352172014 134090866 /nfs/dbraw/zinc/09/08/66/134090866.db2.gz PNKKHKKFWQUQGC-UHFFFAOYSA-N 1 2 230.289 0.264 20 0 BCADLO Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000336128083 134093882 /nfs/dbraw/zinc/09/38/82/134093882.db2.gz IUANZQQYXIDBBF-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000336128083 134093883 /nfs/dbraw/zinc/09/38/83/134093883.db2.gz IUANZQQYXIDBBF-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO O=C(NC1CC1)C1([NH+]2CCOCC2)CCC1 ZINC000336139293 134097379 /nfs/dbraw/zinc/09/73/79/134097379.db2.gz KRISXEITFLMSHS-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000352185708 134098958 /nfs/dbraw/zinc/09/89/58/134098958.db2.gz FRTMDBWVJADQGE-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000352185708 134098959 /nfs/dbraw/zinc/09/89/59/134098959.db2.gz FRTMDBWVJADQGE-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)N1CCC1 ZINC000336147192 134102838 /nfs/dbraw/zinc/10/28/38/134102838.db2.gz WBFWTEWPAOMIAU-SNVBAGLBSA-N 1 2 234.303 0.779 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000352209473 134107432 /nfs/dbraw/zinc/10/74/32/134107432.db2.gz BSCFCCGZPKDOOL-ONGXEEELSA-N 1 2 235.287 0.656 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000352209471 134107743 /nfs/dbraw/zinc/10/77/43/134107743.db2.gz BSCFCCGZPKDOOL-KOLCDFICSA-N 1 2 235.287 0.656 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccoc1 ZINC000336175077 134116618 /nfs/dbraw/zinc/11/66/18/134116618.db2.gz QSIXTBAMHYEOIV-SECBINFHSA-N 1 2 244.316 0.604 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccoc1 ZINC000336175077 134116619 /nfs/dbraw/zinc/11/66/19/134116619.db2.gz QSIXTBAMHYEOIV-SECBINFHSA-N 1 2 244.316 0.604 20 0 BCADLO Cc1cc(N2CC[S@](=O)[C@H](C)C2)nc[nH+]1 ZINC000352265289 134128787 /nfs/dbraw/zinc/12/87/87/134128787.db2.gz KPDNINIKJAPTPP-PSLIRLAXSA-N 1 2 225.317 0.742 20 0 BCADLO Cc1cc(NC(=O)[C@@H](O)C2CCC2)cc[nH+]1 ZINC000336213718 134135634 /nfs/dbraw/zinc/13/56/34/134135634.db2.gz WVIGVXSRMVHNQD-NSHDSACASA-N 1 2 220.272 0.911 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC(=O)N1 ZINC000336218256 134138100 /nfs/dbraw/zinc/13/81/00/134138100.db2.gz SFGJQVKMTGEGBO-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC(=O)N1 ZINC000336218256 134138101 /nfs/dbraw/zinc/13/81/01/134138101.db2.gz SFGJQVKMTGEGBO-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO CC[C@@H]([NH2+]CCNC(=O)C(C)C)C(=O)OC ZINC000168238467 134160630 /nfs/dbraw/zinc/16/06/30/134160630.db2.gz DLJAZNJDINFKDW-SECBINFHSA-N 1 2 230.308 0.300 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)n1 ZINC000168631766 134233495 /nfs/dbraw/zinc/23/34/95/134233495.db2.gz PJZZIXJFQVUBHF-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)n1 ZINC000168631766 134233496 /nfs/dbraw/zinc/23/34/96/134233496.db2.gz PJZZIXJFQVUBHF-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218043906 134251528 /nfs/dbraw/zinc/25/15/28/134251528.db2.gz DOUQSLSEYREUFJ-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218043906 134251529 /nfs/dbraw/zinc/25/15/29/134251529.db2.gz DOUQSLSEYREUFJ-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO COCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250331 134252597 /nfs/dbraw/zinc/25/25/97/134252597.db2.gz QYZLTCKNGSEFIL-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO C[C@H]([C@H](C)NC(=O)NC1CC1)[NH+]1CCOCC1 ZINC000170918642 134255685 /nfs/dbraw/zinc/25/56/85/134255685.db2.gz GCFAAJFHLSYFLL-VHSXEESVSA-N 1 2 241.335 0.557 20 0 BCADLO COC[C@@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000218937730 134268954 /nfs/dbraw/zinc/26/89/54/134268954.db2.gz PJEPARYIQRLIOU-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CC1CCC1 ZINC000173004111 134271707 /nfs/dbraw/zinc/27/17/07/134271707.db2.gz JRAQSZFFZVOVAI-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO c1c[nH]c(CN2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173987784 134277438 /nfs/dbraw/zinc/27/74/38/134277438.db2.gz HIRMIAGVGUFUDB-NSHDSACASA-N 1 2 236.319 0.316 20 0 BCADLO C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000174036543 134278342 /nfs/dbraw/zinc/27/83/42/134278342.db2.gz UBBFIEDTMFIUGT-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C=C[C@H](CO)C1 ZINC000175049214 134284407 /nfs/dbraw/zinc/28/44/07/134284407.db2.gz MHHKJIUIVSYWME-DTWKUNHWSA-N 1 2 245.286 0.712 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000175132569 134284802 /nfs/dbraw/zinc/28/48/02/134284802.db2.gz PDHIPWNSDMRXNT-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000175132569 134284803 /nfs/dbraw/zinc/28/48/03/134284803.db2.gz PDHIPWNSDMRXNT-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO C[C@H](O)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176523637 134292511 /nfs/dbraw/zinc/29/25/11/134292511.db2.gz XGQCRUNOLBIOHX-VIFPVBQESA-N 1 2 233.271 0.787 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000178208959 134304844 /nfs/dbraw/zinc/30/48/44/134304844.db2.gz LATFLFGARKHINK-UHFFFAOYSA-N 1 2 225.296 0.105 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000178208959 134304845 /nfs/dbraw/zinc/30/48/45/134304845.db2.gz LATFLFGARKHINK-UHFFFAOYSA-N 1 2 225.296 0.105 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000178726175 134310441 /nfs/dbraw/zinc/31/04/41/134310441.db2.gz BUQVFOVPXBJMKI-ZETCQYMHSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000178726175 134310442 /nfs/dbraw/zinc/31/04/42/134310442.db2.gz BUQVFOVPXBJMKI-ZETCQYMHSA-N 1 2 239.275 0.603 20 0 BCADLO CCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178652306 134312404 /nfs/dbraw/zinc/31/24/04/134312404.db2.gz CPAMMSPIYFEKJX-LBPRGKRZSA-N 1 2 239.363 0.683 20 0 BCADLO CC(C)[C@@H]([NH2+]CCO)C(=O)OC(C)(C)C ZINC000180045399 134325688 /nfs/dbraw/zinc/32/56/88/134325688.db2.gz REWITDUDPMIUPG-SECBINFHSA-N 1 2 217.309 0.935 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@@H](C)OC ZINC000182171511 134342569 /nfs/dbraw/zinc/34/25/69/134342569.db2.gz FPFBAXOBMAKWNX-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@@H](C)OC ZINC000182171511 134342570 /nfs/dbraw/zinc/34/25/70/134342570.db2.gz FPFBAXOBMAKWNX-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO CC(C)C[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000184527801 134363265 /nfs/dbraw/zinc/36/32/65/134363265.db2.gz OROBUILMSGWKJP-GFCCVEGCSA-N 1 2 242.363 0.805 20 0 BCADLO O=C([C@H]1CNC(=O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408091213 134390810 /nfs/dbraw/zinc/39/08/10/134390810.db2.gz UJOJALFIHSFNMW-BDAKNGLRSA-N 1 2 248.286 0.209 20 0 BCADLO CCOCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227768803 134392801 /nfs/dbraw/zinc/39/28/01/134392801.db2.gz XCNJIXIIYXEOOP-VIFPVBQESA-N 1 2 201.266 0.564 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOCC1CC1)C1CC1 ZINC000227769952 134393720 /nfs/dbraw/zinc/39/37/20/134393720.db2.gz UTJWSQNLAUOENE-LLVKDONJSA-N 1 2 227.304 0.954 20 0 BCADLO C[C@H]1C[NH+](CCn2cncn2)C[C@H](C)S1=O ZINC000408124672 134398053 /nfs/dbraw/zinc/39/80/53/134398053.db2.gz RFBRETFJYSNTKX-UWVGGRQHSA-N 1 2 242.348 0.119 20 0 BCADLO Cc1nc(N2CCCS(=O)(=O)CC2)cc[nH+]1 ZINC000408239945 134531415 /nfs/dbraw/zinc/53/14/15/134531415.db2.gz HOHFQOAZAFMNKU-UHFFFAOYSA-N 1 2 241.316 0.410 20 0 BCADLO C[C@H]1C(=O)NCCCN1Cc1c[nH+]cn1C ZINC000189076627 134540433 /nfs/dbraw/zinc/54/04/33/134540433.db2.gz TYBJMTLBEOAJNN-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000408285371 134674146 /nfs/dbraw/zinc/67/41/46/134674146.db2.gz GNBVZACTXOBVTP-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cnc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000408285371 134674148 /nfs/dbraw/zinc/67/41/48/134674148.db2.gz GNBVZACTXOBVTP-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO COc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000134491826 134710469 /nfs/dbraw/zinc/71/04/69/134710469.db2.gz GMMFDJZMLFEDIV-UHFFFAOYSA-N 1 2 246.270 0.786 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnccn1 ZINC000070651481 135005796 /nfs/dbraw/zinc/00/57/96/135005796.db2.gz ZXBUAIFUNKPFIS-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CC[C@@](COC)([NH2+]CC1CC1)C(=O)OC ZINC000070657065 135005891 /nfs/dbraw/zinc/00/58/91/135005891.db2.gz ONTJKYNSGRPOGU-NSHDSACASA-N 1 2 215.293 0.954 20 0 BCADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000248420937 135008137 /nfs/dbraw/zinc/00/81/37/135008137.db2.gz AMQMCRITQNDBNX-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000248420937 135008139 /nfs/dbraw/zinc/00/81/39/135008139.db2.gz AMQMCRITQNDBNX-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ncccc1O ZINC000070819792 135013054 /nfs/dbraw/zinc/01/30/54/135013054.db2.gz MFVSSXXHVXSSOA-UHFFFAOYSA-N 1 2 218.216 0.440 20 0 BCADLO CC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248589315 135016292 /nfs/dbraw/zinc/01/62/92/135016292.db2.gz RKAUESGVSCWRQX-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248589315 135016293 /nfs/dbraw/zinc/01/62/93/135016293.db2.gz RKAUESGVSCWRQX-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000248912321 135026111 /nfs/dbraw/zinc/02/61/11/135026111.db2.gz NHYOBMHENULEFY-MXWKQRLJSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000248912321 135026113 /nfs/dbraw/zinc/02/61/13/135026113.db2.gz NHYOBMHENULEFY-MXWKQRLJSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)[C@H](C)CO1 ZINC000249082066 135032122 /nfs/dbraw/zinc/03/21/22/135032122.db2.gz SPQXAXLYZCLHQV-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)[C@H](C)CO1 ZINC000249082066 135032123 /nfs/dbraw/zinc/03/21/23/135032123.db2.gz SPQXAXLYZCLHQV-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO CCOCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249432640 135038502 /nfs/dbraw/zinc/03/85/02/135038502.db2.gz ZJPZPIYMUCLWTP-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249432640 135038505 /nfs/dbraw/zinc/03/85/05/135038505.db2.gz ZJPZPIYMUCLWTP-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1csnn1 ZINC000249559164 135041485 /nfs/dbraw/zinc/04/14/85/135041485.db2.gz MMNAGRMCSVBESJ-DLGSQSEFSA-N 1 2 237.328 0.739 20 0 BCADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1csnn1 ZINC000249559164 135041486 /nfs/dbraw/zinc/04/14/86/135041486.db2.gz MMNAGRMCSVBESJ-DLGSQSEFSA-N 1 2 237.328 0.739 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@H](CO)OC[C@H]1C ZINC000250352509 135052676 /nfs/dbraw/zinc/05/26/76/135052676.db2.gz WIMCUQUCKZPAKS-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250466059 135054768 /nfs/dbraw/zinc/05/47/68/135054768.db2.gz DVFPUERBRIUESX-JMJZKYOTSA-N 1 2 227.304 0.953 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCCO1 ZINC000087230613 135113371 /nfs/dbraw/zinc/11/33/71/135113371.db2.gz TWJZBOFJICCWDT-NSHDSACASA-N 1 2 223.276 0.937 20 0 BCADLO CCCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000078312182 135118777 /nfs/dbraw/zinc/11/87/77/135118777.db2.gz JWJCINKXWIQIND-UHFFFAOYSA-N 1 2 243.351 0.760 20 0 BCADLO CCOC(=O)C[NH2+][C@H](COC)C1CC1 ZINC000087478924 135143803 /nfs/dbraw/zinc/14/38/03/135143803.db2.gz LWZTWTOSBSDYDU-SECBINFHSA-N 1 2 201.266 0.564 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1ccn(C)n1 ZINC000270817807 135172665 /nfs/dbraw/zinc/17/26/65/135172665.db2.gz QPTDKVALNIQZRO-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccn(C)n1 ZINC000270817807 135172667 /nfs/dbraw/zinc/17/26/67/135172667.db2.gz QPTDKVALNIQZRO-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261548653 135187653 /nfs/dbraw/zinc/18/76/53/135187653.db2.gz NTOFTSIPJYARIV-HTQZYQBOSA-N 1 2 218.247 0.995 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cnc(N)s1 ZINC000261568142 135210504 /nfs/dbraw/zinc/21/05/04/135210504.db2.gz FJLJDNQHVZLMBX-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1cnc(N)s1 ZINC000261568142 135210506 /nfs/dbraw/zinc/21/05/06/135210506.db2.gz FJLJDNQHVZLMBX-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO CC[C@H](C)NC(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377239 135215722 /nfs/dbraw/zinc/21/57/22/135215722.db2.gz AKSZMBHAAZDDMQ-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO Cn1nnnc1C[N@H+](C)Cc1cccc(N)c1 ZINC000261688758 135245780 /nfs/dbraw/zinc/24/57/80/135245780.db2.gz MQNFFWOHMJMYHO-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO Cn1nnnc1C[N@@H+](C)Cc1cccc(N)c1 ZINC000261688758 135245782 /nfs/dbraw/zinc/24/57/82/135245782.db2.gz MQNFFWOHMJMYHO-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)O1 ZINC000261856706 135257636 /nfs/dbraw/zinc/25/76/36/135257636.db2.gz ACGITWPFFYKMPW-IWSPIJDZSA-N 1 2 248.273 0.619 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCc2n[nH]cc21 ZINC000342633368 135298136 /nfs/dbraw/zinc/29/81/36/135298136.db2.gz NHAJLOUYNKNPSX-QMMMGPOBSA-N 1 2 245.286 0.869 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)nc1 ZINC000342633012 135298376 /nfs/dbraw/zinc/29/83/76/135298376.db2.gz HTBUYUFGGRKCCK-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@](C)=O)nc1 ZINC000342633012 135298377 /nfs/dbraw/zinc/29/83/77/135298377.db2.gz HTBUYUFGGRKCCK-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)nn1C ZINC000342651581 135307227 /nfs/dbraw/zinc/30/72/27/135307227.db2.gz YJFIBFUKSFYFJJ-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)nn1C ZINC000342651581 135307228 /nfs/dbraw/zinc/30/72/28/135307228.db2.gz YJFIBFUKSFYFJJ-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366785559 135311878 /nfs/dbraw/zinc/31/18/78/135311878.db2.gz HHIDLQSCVGBFSV-CKYFFXLPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366785559 135311879 /nfs/dbraw/zinc/31/18/79/135311879.db2.gz HHIDLQSCVGBFSV-CKYFFXLPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CCCO1 ZINC000262694717 135315034 /nfs/dbraw/zinc/31/50/34/135315034.db2.gz BAGFTHZEHFWXNE-YIZRAAEISA-N 1 2 248.273 0.667 20 0 BCADLO Cc1c[nH+]c(CN2CCn3ccnc3C2)n1C ZINC000342781050 135317904 /nfs/dbraw/zinc/31/79/04/135317904.db2.gz MUNWPNJOJQZTOX-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@@H]2CCN(C)C2=O)n1C ZINC000342794615 135320092 /nfs/dbraw/zinc/32/00/92/135320092.db2.gz URLPTFSMECHUTL-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262894908 135323156 /nfs/dbraw/zinc/32/31/56/135323156.db2.gz CXWWFCUZFPAPAZ-BDAKNGLRSA-N 1 2 248.273 0.621 20 0 BCADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CCOC1 ZINC000263012120 135326910 /nfs/dbraw/zinc/32/69/10/135326910.db2.gz PUIJQVLNXGJCCL-HTQZYQBOSA-N 1 2 234.246 0.231 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)s1 ZINC000263038544 135328096 /nfs/dbraw/zinc/32/80/96/135328096.db2.gz SNDMPRAMYFIGKO-RXMQYKEDSA-N 1 2 248.258 0.782 20 0 BCADLO COC[C@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342778058 135328425 /nfs/dbraw/zinc/32/84/25/135328425.db2.gz AZOAYIIOBMHJQB-VIFPVBQESA-N 1 2 241.291 0.006 20 0 BCADLO O=C(Nc1ncccc1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263060089 135329843 /nfs/dbraw/zinc/32/98/43/135329843.db2.gz VGFPRUALYUWCMF-ZCFIWIBFSA-N 1 2 243.213 0.723 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263203986 135339274 /nfs/dbraw/zinc/33/92/74/135339274.db2.gz JMFHRSLISYCQEL-VGMNWLOBSA-N 1 2 248.273 0.667 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263269596 135343399 /nfs/dbraw/zinc/34/33/99/135343399.db2.gz RZHXWQBEDGKSIF-BDAKNGLRSA-N 1 2 248.273 0.621 20 0 BCADLO CSCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334346311 135363161 /nfs/dbraw/zinc/36/31/61/135363161.db2.gz VWBSSIQDGXUQQY-UWVGGRQHSA-N 1 2 244.360 0.281 20 0 BCADLO CSCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334346311 135363162 /nfs/dbraw/zinc/36/31/62/135363162.db2.gz VWBSSIQDGXUQQY-UWVGGRQHSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[S@@]1=O ZINC000334344882 135366060 /nfs/dbraw/zinc/36/60/60/135366060.db2.gz OFZRNPFYPWDWGI-HWPZZCPQSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[S@@]1=O ZINC000334344882 135366061 /nfs/dbraw/zinc/36/60/61/135366061.db2.gz OFZRNPFYPWDWGI-HWPZZCPQSA-N 1 2 241.360 0.415 20 0 BCADLO O=C1CC[N@H+](C[C@H]2CCCOC2)CCN1 ZINC000334354044 135369956 /nfs/dbraw/zinc/36/99/56/135369956.db2.gz YWLUYMMUMDZYGJ-SNVBAGLBSA-N 1 2 212.293 0.235 20 0 BCADLO O=C1CC[N@@H+](C[C@H]2CCCOC2)CCN1 ZINC000334354044 135369958 /nfs/dbraw/zinc/36/99/58/135369958.db2.gz YWLUYMMUMDZYGJ-SNVBAGLBSA-N 1 2 212.293 0.235 20 0 BCADLO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCOCC2)C1 ZINC000334357759 135369977 /nfs/dbraw/zinc/36/99/77/135369977.db2.gz QTQSFMJWBTWDDA-QWRGUYRKSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCOCC2)C1 ZINC000334357759 135369979 /nfs/dbraw/zinc/36/99/79/135369979.db2.gz QTQSFMJWBTWDDA-QWRGUYRKSA-N 1 2 226.320 0.623 20 0 BCADLO CSCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000306614929 135375665 /nfs/dbraw/zinc/37/56/65/135375665.db2.gz AUZCNHXPXWGQGM-PELKAZGASA-N 1 2 207.364 0.802 20 0 BCADLO CSCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000306614929 135375666 /nfs/dbraw/zinc/37/56/66/135375666.db2.gz AUZCNHXPXWGQGM-PELKAZGASA-N 1 2 207.364 0.802 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334373487 135376315 /nfs/dbraw/zinc/37/63/15/135376315.db2.gz CHDQZZMWOMGNER-JQWIXIFHSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)n1 ZINC000299974732 135383850 /nfs/dbraw/zinc/38/38/50/135383850.db2.gz ZABOMIOWXCHSAD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)n1 ZINC000299974732 135383852 /nfs/dbraw/zinc/38/38/52/135383852.db2.gz ZABOMIOWXCHSAD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO O=C(C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080920076 135384467 /nfs/dbraw/zinc/38/44/67/135384467.db2.gz KCEQDDAHHHEDCY-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cscn1 ZINC000078639221 135394768 /nfs/dbraw/zinc/39/47/68/135394768.db2.gz UTGHTUHZTBTDHX-SSDOTTSWSA-N 1 2 234.346 0.666 20 0 BCADLO O=C(NC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334411911 135395893 /nfs/dbraw/zinc/39/58/93/135395893.db2.gz UTRDHHVECSKKLZ-QMMMGPOBSA-N 1 2 205.261 0.724 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000334427843 135398427 /nfs/dbraw/zinc/39/84/27/135398427.db2.gz HMEMGJWYMKOODQ-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000334419366 135399539 /nfs/dbraw/zinc/39/95/39/135399539.db2.gz QBSVAJBDBTWYNW-VIFPVBQESA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000334419366 135399540 /nfs/dbraw/zinc/39/95/40/135399540.db2.gz QBSVAJBDBTWYNW-VIFPVBQESA-N 1 2 213.277 0.660 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCO1 ZINC000334477275 135428572 /nfs/dbraw/zinc/42/85/72/135428572.db2.gz PWFSFEJVWNQAIT-JTQLQIEISA-N 1 2 235.287 1.000 20 0 BCADLO COC[C@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000193204170 135586717 /nfs/dbraw/zinc/58/67/17/135586717.db2.gz HELBBJZYLOGEFI-JTQLQIEISA-N 1 2 240.307 0.559 20 0 BCADLO Cc1n[nH]cc1CNC(=O)NCc1[nH+]ccn1C ZINC000343968327 135721753 /nfs/dbraw/zinc/72/17/53/135721753.db2.gz LCUPOIFKWYSJHP-UHFFFAOYSA-N 1 2 248.290 0.451 20 0 BCADLO Cc1cnn(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000344363267 135766808 /nfs/dbraw/zinc/76/68/08/135766808.db2.gz RJVBYTCSQFOOCE-NSHDSACASA-N 1 2 247.302 0.593 20 0 BCADLO Cc1nc(N2CC(C)C2)nc(N(C)C)[nH+]1 ZINC000344535011 135776599 /nfs/dbraw/zinc/77/65/99/135776599.db2.gz GXRLBMDVGVGHPG-UHFFFAOYSA-N 1 2 207.281 0.702 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(C)C2)[nH+]1 ZINC000344535011 135776600 /nfs/dbraw/zinc/77/66/00/135776600.db2.gz GXRLBMDVGVGHPG-UHFFFAOYSA-N 1 2 207.281 0.702 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)N1CCC1)c1ccco1 ZINC000347639689 135993653 /nfs/dbraw/zinc/99/36/53/135993653.db2.gz RLEOQUSKWYTHIG-SNVBAGLBSA-N 1 2 238.287 0.789 20 0 BCADLO COc1cc[nH+]c(CN(C)Cc2nncn2C)c1 ZINC000347645992 136000385 /nfs/dbraw/zinc/00/03/85/136000385.db2.gz MXSYOULZZXWMSU-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COCC[NH+](CCOC)Cc1cnns1 ZINC000347733121 136004441 /nfs/dbraw/zinc/00/44/41/136004441.db2.gz NZDYJUBNTCZXHX-UHFFFAOYSA-N 1 2 231.321 0.633 20 0 BCADLO CC(C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000347687654 136004913 /nfs/dbraw/zinc/00/49/13/136004913.db2.gz TXECOARAFIWMRI-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccc(OC)nc2)C1 ZINC000347704289 136007526 /nfs/dbraw/zinc/00/75/26/136007526.db2.gz KZSRCNAANTXLPB-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cnns1 ZINC000347780643 136009141 /nfs/dbraw/zinc/00/91/41/136009141.db2.gz OYORKFMWHNTCGT-NXSYQRQQSA-N 1 2 233.362 0.737 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cnns1 ZINC000347780643 136009142 /nfs/dbraw/zinc/00/91/42/136009142.db2.gz OYORKFMWHNTCGT-NXSYQRQQSA-N 1 2 233.362 0.737 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cnns1 ZINC000347780624 136009187 /nfs/dbraw/zinc/00/91/87/136009187.db2.gz OYORKFMWHNTCGT-JKYUHCHBSA-N 1 2 233.362 0.737 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cnns1 ZINC000347780624 136009188 /nfs/dbraw/zinc/00/91/88/136009188.db2.gz OYORKFMWHNTCGT-JKYUHCHBSA-N 1 2 233.362 0.737 20 0 BCADLO CC(C)n1cc(C[N@H+](CCO)CCCO)nn1 ZINC000347785438 136010024 /nfs/dbraw/zinc/01/00/24/136010024.db2.gz PUXMLUXOPZYRMJ-UHFFFAOYSA-N 1 2 242.323 0.036 20 0 BCADLO CC(C)n1cc(C[N@@H+](CCO)CCCO)nn1 ZINC000347785438 136010025 /nfs/dbraw/zinc/01/00/25/136010025.db2.gz PUXMLUXOPZYRMJ-UHFFFAOYSA-N 1 2 242.323 0.036 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCC(=O)NC)[C@@H](C)CC ZINC000347803738 136013369 /nfs/dbraw/zinc/01/33/69/136013369.db2.gz YRCPVJDOURNPLO-GXSJLCMTSA-N 1 2 244.335 0.690 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000347998658 136019662 /nfs/dbraw/zinc/01/96/62/136019662.db2.gz IWQVJVLCDROIBW-HBNTYKKESA-N 1 2 247.335 0.561 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOCC12CC2)C1CC1 ZINC000335318513 136026011 /nfs/dbraw/zinc/02/60/11/136026011.db2.gz OPUGSFVSJHACAM-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO CN(C(=O)C[N@H+]1CCOCC12CC2)C1CC1 ZINC000335318513 136026012 /nfs/dbraw/zinc/02/60/12/136026012.db2.gz OPUGSFVSJHACAM-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCOCC12CC2 ZINC000335318687 136026329 /nfs/dbraw/zinc/02/63/29/136026329.db2.gz RSLOHBCTRBGVFM-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO CC1(C)NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000335306228 136026389 /nfs/dbraw/zinc/02/63/89/136026389.db2.gz KTDYJSNQDRISQP-SSDOTTSWSA-N 1 2 248.286 0.597 20 0 BCADLO CC1(C)NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000335306228 136026390 /nfs/dbraw/zinc/02/63/90/136026390.db2.gz KTDYJSNQDRISQP-SSDOTTSWSA-N 1 2 248.286 0.597 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000348126901 136033024 /nfs/dbraw/zinc/03/30/24/136033024.db2.gz QNAMHWASWKHHRZ-VIFPVBQESA-N 1 2 200.238 0.114 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000348126901 136033025 /nfs/dbraw/zinc/03/30/25/136033025.db2.gz QNAMHWASWKHHRZ-VIFPVBQESA-N 1 2 200.238 0.114 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000348126899 136033178 /nfs/dbraw/zinc/03/31/78/136033178.db2.gz QNAMHWASWKHHRZ-SECBINFHSA-N 1 2 200.238 0.114 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000348126899 136033179 /nfs/dbraw/zinc/03/31/79/136033179.db2.gz QNAMHWASWKHHRZ-SECBINFHSA-N 1 2 200.238 0.114 20 0 BCADLO COCCCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000348111756 136037197 /nfs/dbraw/zinc/03/71/97/136037197.db2.gz PRLGJUJGLRUXEM-GFCCVEGCSA-N 1 2 245.319 0.725 20 0 BCADLO CC[N@H+](CCCO)Cc1nc(COC)no1 ZINC000348150840 136039699 /nfs/dbraw/zinc/03/96/99/136039699.db2.gz GXTSHGUMWOBGOM-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc(COC)no1 ZINC000348150840 136039700 /nfs/dbraw/zinc/03/97/00/136039700.db2.gz GXTSHGUMWOBGOM-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348185670 136044749 /nfs/dbraw/zinc/04/47/49/136044749.db2.gz CANNPLZWARZKOQ-QLJPJBMISA-N 1 2 249.376 0.227 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348185670 136044750 /nfs/dbraw/zinc/04/47/50/136044750.db2.gz CANNPLZWARZKOQ-QLJPJBMISA-N 1 2 249.376 0.227 20 0 BCADLO OC[C@H]1CC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000348216728 136046447 /nfs/dbraw/zinc/04/64/47/136046447.db2.gz IAQZZPMFPVKWNE-VHSXEESVSA-N 1 2 211.265 0.039 20 0 BCADLO CCN(CCOC)C(=O)NCc1[nH+]ccn1C ZINC000348217911 136046802 /nfs/dbraw/zinc/04/68/02/136046802.db2.gz VYPZQKHOCKMRTQ-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCOC2)C[C@@H](C)S1=O ZINC000348224359 136047576 /nfs/dbraw/zinc/04/75/76/136047576.db2.gz RPSWZWMCSSYBPM-BBBLOLIVSA-N 1 2 217.334 0.617 20 0 BCADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1C ZINC000348281976 136060011 /nfs/dbraw/zinc/06/00/11/136060011.db2.gz NTNDEGQNRBBTJB-RNFRBKRXSA-N 1 2 249.240 0.983 20 0 BCADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1C ZINC000348281976 136060012 /nfs/dbraw/zinc/06/00/12/136060012.db2.gz NTNDEGQNRBBTJB-RNFRBKRXSA-N 1 2 249.240 0.983 20 0 BCADLO CCOCC[C@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000348231161 136061029 /nfs/dbraw/zinc/06/10/29/136061029.db2.gz NYMJIFFQDZVIMD-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000348231161 136061030 /nfs/dbraw/zinc/06/10/30/136061030.db2.gz NYMJIFFQDZVIMD-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[N@H+](CCC(=O)N(C)C)C1CC1 ZINC000348234997 136061541 /nfs/dbraw/zinc/06/15/41/136061541.db2.gz SWVKCAMPQZDCHG-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)C[N@@H+](CCC(=O)N(C)C)C1CC1 ZINC000348234997 136061542 /nfs/dbraw/zinc/06/15/42/136061542.db2.gz SWVKCAMPQZDCHG-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cnn(C)c1 ZINC000348296206 136062717 /nfs/dbraw/zinc/06/27/17/136062717.db2.gz RAHDOMQCOMAVMV-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cnn(C)c1 ZINC000348296206 136062718 /nfs/dbraw/zinc/06/27/18/136062718.db2.gz RAHDOMQCOMAVMV-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCC1 ZINC000335340618 136064059 /nfs/dbraw/zinc/06/40/59/136064059.db2.gz FQTDJDKMUSXGBO-NSHDSACASA-N 1 2 237.347 0.293 20 0 BCADLO CN(CC(=O)N1CCC1)Cc1[nH+]ccn1C ZINC000348320017 136069099 /nfs/dbraw/zinc/06/90/99/136069099.db2.gz PZGKMOIBBPYLRR-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC12CCC2 ZINC000335353870 136070557 /nfs/dbraw/zinc/07/05/57/136070557.db2.gz DBVSMWXRFJOYHT-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1CCCC12CCC2 ZINC000335353870 136070558 /nfs/dbraw/zinc/07/05/58/136070558.db2.gz DBVSMWXRFJOYHT-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1ncccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000335400841 136094190 /nfs/dbraw/zinc/09/41/90/136094190.db2.gz QHJMZAUJQUVTKR-VIFPVBQESA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ncccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000335400841 136094191 /nfs/dbraw/zinc/09/41/91/136094191.db2.gz QHJMZAUJQUVTKR-VIFPVBQESA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348547957 136096130 /nfs/dbraw/zinc/09/61/30/136096130.db2.gz PCPUGEBPHOIFTM-NSHDSACASA-N 1 2 242.367 0.187 20 0 BCADLO CC(C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348547957 136096131 /nfs/dbraw/zinc/09/61/31/136096131.db2.gz PCPUGEBPHOIFTM-NSHDSACASA-N 1 2 242.367 0.187 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547008 136096996 /nfs/dbraw/zinc/09/69/96/136096996.db2.gz BNABWGOARUSSDK-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000348570805 136098892 /nfs/dbraw/zinc/09/88/92/136098892.db2.gz NBLWNZLXFLVGBB-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO CCCNC(=O)C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000348570805 136098893 /nfs/dbraw/zinc/09/88/93/136098893.db2.gz NBLWNZLXFLVGBB-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC(F)C1 ZINC000335554533 136099142 /nfs/dbraw/zinc/09/91/42/136099142.db2.gz WNLKXXJSFUWWOM-MRVPVSSYSA-N 1 2 223.251 0.626 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000335591690 136103619 /nfs/dbraw/zinc/10/36/19/136103619.db2.gz QAFXJCLKRHZPPS-JTQLQIEISA-N 1 2 222.292 0.012 20 0 BCADLO Cc1cnn(CC[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000335591690 136103620 /nfs/dbraw/zinc/10/36/20/136103620.db2.gz QAFXJCLKRHZPPS-JTQLQIEISA-N 1 2 222.292 0.012 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335565050 136107615 /nfs/dbraw/zinc/10/76/15/136107615.db2.gz OIHPKFCJDJCDAC-UWVGGRQHSA-N 1 2 237.303 0.285 20 0 BCADLO CC(C)[C@H](O)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000570627077 397755496 /nfs/dbraw/zinc/75/54/96/397755496.db2.gz DBBDEECTBAUVHW-SNVBAGLBSA-N 1 2 238.335 0.673 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000570627077 397755502 /nfs/dbraw/zinc/75/55/02/397755502.db2.gz DBBDEECTBAUVHW-SNVBAGLBSA-N 1 2 238.335 0.673 20 0 BCADLO C[C@@H]1[C@@H]([NH2+]Cc2cscn2)CCS1(=O)=O ZINC000309101764 397851124 /nfs/dbraw/zinc/85/11/24/397851124.db2.gz GCTWHMZSRQMMIO-APPZFPTMSA-N 1 2 246.357 0.808 20 0 BCADLO C[C@@H]1[C@H]([NH2+]Cc2cscn2)CCS1(=O)=O ZINC000309101767 397851235 /nfs/dbraw/zinc/85/12/35/397851235.db2.gz GCTWHMZSRQMMIO-VXNVDRBHSA-N 1 2 246.357 0.808 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)n1 ZINC000408130696 397930639 /nfs/dbraw/zinc/93/06/39/397930639.db2.gz FAVKCOPHXSNBNS-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@H](C)[C@H](O)C2)n1 ZINC000408130696 397930643 /nfs/dbraw/zinc/93/06/43/397930643.db2.gz FAVKCOPHXSNBNS-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C1(O)CCOCC1 ZINC000356631774 397934682 /nfs/dbraw/zinc/93/46/82/397934682.db2.gz YVJMADNBIAYNHA-UHFFFAOYSA-N 1 2 236.271 0.292 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cnn(C)c1 ZINC000267310952 397946713 /nfs/dbraw/zinc/94/67/13/397946713.db2.gz DCVABJNFZXZXFG-UHFFFAOYSA-N 1 2 205.265 0.790 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](CO)C1 ZINC000267694600 397949081 /nfs/dbraw/zinc/94/90/81/397949081.db2.gz YVHNDNHSHHONHC-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCO1 ZINC000382186796 397918760 /nfs/dbraw/zinc/91/87/60/397918760.db2.gz QAABZGKQYSSRJQ-BDAKNGLRSA-N 1 2 225.296 0.257 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364913523 397919121 /nfs/dbraw/zinc/91/91/21/397919121.db2.gz GLZULPNETMKQRJ-KXUCPTDWSA-N 1 2 219.288 0.970 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364913524 397919432 /nfs/dbraw/zinc/91/94/32/397919432.db2.gz GLZULPNETMKQRJ-OPRDCNLKSA-N 1 2 219.288 0.970 20 0 BCADLO CC[N@H+](Cc1cc2n(n1)CCC2)[C@@H]1CCNC1=O ZINC000649599607 397990787 /nfs/dbraw/zinc/99/07/87/397990787.db2.gz GSSARUVPCOCPMK-GFCCVEGCSA-N 1 2 248.330 0.540 20 0 BCADLO CC[N@@H+](Cc1cc2n(n1)CCC2)[C@@H]1CCNC1=O ZINC000649599607 397990789 /nfs/dbraw/zinc/99/07/89/397990789.db2.gz GSSARUVPCOCPMK-GFCCVEGCSA-N 1 2 248.330 0.540 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCO1 ZINC000279292912 398044524 /nfs/dbraw/zinc/04/45/24/398044524.db2.gz YHTGYQXCAMDGGQ-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCCCO1 ZINC000279292912 398044528 /nfs/dbraw/zinc/04/45/28/398044528.db2.gz YHTGYQXCAMDGGQ-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1nc(NC[C@@H]2CCCS2(=O)=O)cc[nH+]1 ZINC000087972029 397993571 /nfs/dbraw/zinc/99/35/71/397993571.db2.gz VTTGXXQLFKSRFH-VIFPVBQESA-N 1 2 241.316 0.774 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408187324 397997197 /nfs/dbraw/zinc/99/71/97/397997197.db2.gz MHSMKLGLXDATHW-JBLDHEPKSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408187324 397997202 /nfs/dbraw/zinc/99/72/02/397997202.db2.gz MHSMKLGLXDATHW-JBLDHEPKSA-N 1 2 242.319 0.001 20 0 BCADLO COCc1cc[nH+]c(NCc2cnnn2C)c1 ZINC000650243959 398006698 /nfs/dbraw/zinc/00/66/98/398006698.db2.gz WXTXMFFHDWUABS-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194442 398017898 /nfs/dbraw/zinc/01/78/98/398017898.db2.gz IEDCGBHGVRPDIX-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194442 398017901 /nfs/dbraw/zinc/01/79/01/398017901.db2.gz IEDCGBHGVRPDIX-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO OC[C@H](Nc1cc[nH+]cc1F)[C@H]1CCCOC1 ZINC000641634392 398021337 /nfs/dbraw/zinc/02/13/37/398021337.db2.gz MUTDYZRIBAYVBC-CABZTGNLSA-N 1 2 240.278 0.842 20 0 BCADLO CC[C@](C)(CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279464658 398048010 /nfs/dbraw/zinc/04/80/10/398048010.db2.gz MJJLUNZWFUJWMI-GFCCVEGCSA-N 1 2 239.319 0.928 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CCOC1 ZINC000583702270 398037772 /nfs/dbraw/zinc/03/77/72/398037772.db2.gz OIIKRLACQITMMG-SKDRFNHKSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CCOC1 ZINC000583702270 398037774 /nfs/dbraw/zinc/03/77/74/398037774.db2.gz OIIKRLACQITMMG-SKDRFNHKSA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)Cc1c[nH+]cn1C ZINC000582624727 398041175 /nfs/dbraw/zinc/04/11/75/398041175.db2.gz KJLFUOXQVDTWAD-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1cn2c([nH+]1)CN(C[C@@H]1CCC(=O)N1)CC2 ZINC000649582168 397969322 /nfs/dbraw/zinc/96/93/22/397969322.db2.gz ZMYXMWHJLVMQNN-JTQLQIEISA-N 1 2 234.303 0.286 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000361032384 397969549 /nfs/dbraw/zinc/96/95/49/397969549.db2.gz OXDAJZTWHIOZPM-SECBINFHSA-N 1 2 225.292 0.192 20 0 BCADLO NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000408170630 397972943 /nfs/dbraw/zinc/97/29/43/397972943.db2.gz VIQQJTXUJRHREF-UHFFFAOYSA-N 1 2 220.276 0.672 20 0 BCADLO CN(C)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408173386 397975631 /nfs/dbraw/zinc/97/56/31/397975631.db2.gz KIXXDJPYSZKQAG-QMMMGPOBSA-N 1 2 244.320 0.353 20 0 BCADLO CN(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408173385 397975682 /nfs/dbraw/zinc/97/56/82/397975682.db2.gz KIXXDJPYSZKQAG-MRVPVSSYSA-N 1 2 244.320 0.353 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc(O)cc1O ZINC000388448193 397978522 /nfs/dbraw/zinc/97/85/22/397978522.db2.gz NISMVNAYPCNARS-UHFFFAOYSA-N 1 2 247.254 0.761 20 0 BCADLO c1c(C[N@@H+]2CCc3nn[nH]c3C2)nn2c1CCC2 ZINC000649591943 397981392 /nfs/dbraw/zinc/98/13/92/397981392.db2.gz PGFTYAGGZUKWSY-UHFFFAOYSA-N 1 2 244.302 0.506 20 0 BCADLO c1c(C[N@H+]2CCc3nn[nH]c3C2)nn2c1CCC2 ZINC000649591943 397981394 /nfs/dbraw/zinc/98/13/94/397981394.db2.gz PGFTYAGGZUKWSY-UHFFFAOYSA-N 1 2 244.302 0.506 20 0 BCADLO Cc1cc(CNC(=O)/C=C/c2[nH]cc[nH+]2)n(C)n1 ZINC000493787862 397981638 /nfs/dbraw/zinc/98/16/38/397981638.db2.gz MIQSSRHFHXEDPK-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO COC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC000272658638 397982367 /nfs/dbraw/zinc/98/23/67/397982367.db2.gz ICCUTUKTKKVIEF-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2Cc3cccnc3C2)N1 ZINC000649596683 397984751 /nfs/dbraw/zinc/98/47/51/397984751.db2.gz BINBEHGOJZOZMV-JTQLQIEISA-N 1 2 217.272 0.676 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2Cc3cccnc3C2)N1 ZINC000649596683 397984756 /nfs/dbraw/zinc/98/47/56/397984756.db2.gz BINBEHGOJZOZMV-JTQLQIEISA-N 1 2 217.272 0.676 20 0 BCADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000528428714 397986519 /nfs/dbraw/zinc/98/65/19/397986519.db2.gz DRNXEPHVFWRCSD-RZCNENHTSA-N 1 2 246.738 0.654 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000272900309 397988362 /nfs/dbraw/zinc/98/83/62/397988362.db2.gz BLTXEUZWDUQVGE-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCn1ccccc1=O ZINC000649737452 398075941 /nfs/dbraw/zinc/07/59/41/398075941.db2.gz FSCCXDGFGAHDFT-NSHDSACASA-N 1 2 222.288 0.569 20 0 BCADLO C[C@H]1COCC[N@H+]1CCn1ccccc1=O ZINC000649737452 398075942 /nfs/dbraw/zinc/07/59/42/398075942.db2.gz FSCCXDGFGAHDFT-NSHDSACASA-N 1 2 222.288 0.569 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000284133791 398077309 /nfs/dbraw/zinc/07/73/09/398077309.db2.gz PUPPPDSHQOKKBO-JTQLQIEISA-N 1 2 222.292 0.558 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000284133791 398077311 /nfs/dbraw/zinc/07/73/11/398077311.db2.gz PUPPPDSHQOKKBO-JTQLQIEISA-N 1 2 222.292 0.558 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000291563182 398094900 /nfs/dbraw/zinc/09/49/00/398094900.db2.gz XASBXOCXLSFIDQ-BDAKNGLRSA-N 1 2 211.265 0.423 20 0 BCADLO CC[C@H](O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000582825787 398051181 /nfs/dbraw/zinc/05/11/81/398051181.db2.gz GUXURQYCMSGXPD-JTQLQIEISA-N 1 2 208.261 0.911 20 0 BCADLO CSCCONC(=O)CCc1c[nH+]cn1C ZINC000279939813 398053679 /nfs/dbraw/zinc/05/36/79/398053679.db2.gz IKYGJBJQLZWAEQ-UHFFFAOYSA-N 1 2 243.332 0.764 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000649799495 398109170 /nfs/dbraw/zinc/10/91/70/398109170.db2.gz YGTQSEJTIRAIDG-MRVPVSSYSA-N 1 2 240.307 0.351 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523436090 398113401 /nfs/dbraw/zinc/11/34/01/398113401.db2.gz UBOFBSGPAATSOA-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523436090 398113405 /nfs/dbraw/zinc/11/34/05/398113405.db2.gz UBOFBSGPAATSOA-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523438359 398113622 /nfs/dbraw/zinc/11/36/22/398113622.db2.gz BOWDZRCFAHAIPO-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523438359 398113627 /nfs/dbraw/zinc/11/36/27/398113627.db2.gz BOWDZRCFAHAIPO-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO O=C(C[NH+]1CCSCC1)NCC1CCC1 ZINC000066494712 398123854 /nfs/dbraw/zinc/12/38/54/398123854.db2.gz MCRRQKPEOPFYNI-UHFFFAOYSA-N 1 2 228.361 0.952 20 0 BCADLO COCCCCNC(=O)Cn1cc[nH+]c1 ZINC000567007118 398124576 /nfs/dbraw/zinc/12/45/76/398124576.db2.gz RZEXUEFLGPBEEN-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CC(C)O[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000571685996 398125909 /nfs/dbraw/zinc/12/59/09/398125909.db2.gz VGINQIKXRGRDQR-LLVKDONJSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C2(CCC2)CO1 ZINC000649824613 398126992 /nfs/dbraw/zinc/12/69/92/398126992.db2.gz HAERLVVRYUNRFE-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C2(CCC2)CO1 ZINC000649824613 398126994 /nfs/dbraw/zinc/12/69/94/398126994.db2.gz HAERLVVRYUNRFE-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649825900 398127992 /nfs/dbraw/zinc/12/79/92/398127992.db2.gz JDBOASJJBZASEN-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649825900 398127994 /nfs/dbraw/zinc/12/79/94/398127994.db2.gz JDBOASJJBZASEN-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CO[C@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)C1(C)C ZINC000310287886 398130399 /nfs/dbraw/zinc/13/03/99/398130399.db2.gz YFPLJRJKJWOUNO-SFYZADRCSA-N 1 2 237.307 0.988 20 0 BCADLO CO[C@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)C1(C)C ZINC000310287886 398130402 /nfs/dbraw/zinc/13/04/02/398130402.db2.gz YFPLJRJKJWOUNO-SFYZADRCSA-N 1 2 237.307 0.988 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C2(CCC2)CO1 ZINC000649821411 398122660 /nfs/dbraw/zinc/12/26/60/398122660.db2.gz GXXVXDROXVMOHK-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C2(CCC2)CO1 ZINC000649821411 398122662 /nfs/dbraw/zinc/12/26/62/398122662.db2.gz GXXVXDROXVMOHK-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000376539481 167053695 /nfs/dbraw/zinc/05/36/95/167053695.db2.gz HVVHQCFKAJOJGP-GXSJLCMTSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000376539481 167053700 /nfs/dbraw/zinc/05/37/00/167053700.db2.gz HVVHQCFKAJOJGP-GXSJLCMTSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1ccn(C)n1 ZINC000112339243 167058036 /nfs/dbraw/zinc/05/80/36/167058036.db2.gz XUYNGHQJVKEGRB-UHFFFAOYSA-N 1 2 210.281 0.034 20 0 BCADLO COCCN1CC[C@@H]([NH2+]CC(F)F)C1 ZINC000328199394 174313270 /nfs/dbraw/zinc/31/32/70/174313270.db2.gz ROSFJTBQOFHDPJ-MRVPVSSYSA-N 1 2 208.252 0.562 20 0 BCADLO O=C1C[N@@H+]([C@@H]2CCCOC2)CCN1C1CC1 ZINC000674303848 487558143 /nfs/dbraw/zinc/55/81/43/487558143.db2.gz YXRRESBIDGQCFC-LLVKDONJSA-N 1 2 224.304 0.472 20 0 BCADLO O=C1C[N@H+]([C@@H]2CCCOC2)CCN1C1CC1 ZINC000674303848 487558148 /nfs/dbraw/zinc/55/81/48/487558148.db2.gz YXRRESBIDGQCFC-LLVKDONJSA-N 1 2 224.304 0.472 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCF ZINC000668254141 487558992 /nfs/dbraw/zinc/55/89/92/487558992.db2.gz QKQKGWRMIHKNSN-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCF ZINC000668254141 487558998 /nfs/dbraw/zinc/55/89/98/487558998.db2.gz QKQKGWRMIHKNSN-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CN1CC[N@H+](Cc2ccc(N)nc2)C(C)(C)C1=O ZINC000094866799 487560170 /nfs/dbraw/zinc/56/01/70/487560170.db2.gz XIYZKHUIAABTPG-UHFFFAOYSA-N 1 2 248.330 0.716 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(N)nc2)C(C)(C)C1=O ZINC000094866799 487560176 /nfs/dbraw/zinc/56/01/76/487560176.db2.gz XIYZKHUIAABTPG-UHFFFAOYSA-N 1 2 248.330 0.716 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@H](O)C1 ZINC000227848160 487561839 /nfs/dbraw/zinc/56/18/39/487561839.db2.gz LNBVCGVLPMEFQI-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@H](O)C1 ZINC000227848160 487561845 /nfs/dbraw/zinc/56/18/45/487561845.db2.gz LNBVCGVLPMEFQI-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000685618628 487565714 /nfs/dbraw/zinc/56/57/14/487565714.db2.gz LZAAJLJDEYRCEZ-CMPLNLGQSA-N 1 2 238.335 0.527 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000680343608 487570038 /nfs/dbraw/zinc/57/00/38/487570038.db2.gz IFUPSRJTJHWJTM-WCBMZHEXSA-N 1 2 207.277 0.735 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000669717260 487570894 /nfs/dbraw/zinc/57/08/94/487570894.db2.gz BKCNNUVLYREJRW-SECBINFHSA-N 1 2 229.305 0.029 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000669717260 487570901 /nfs/dbraw/zinc/57/09/01/487570901.db2.gz BKCNNUVLYREJRW-SECBINFHSA-N 1 2 229.305 0.029 20 0 BCADLO CCc1cc(N(C)CCOCCO)nc[nH+]1 ZINC000301051008 487572394 /nfs/dbraw/zinc/57/23/94/487572394.db2.gz TVBNLGFEKLTQGN-UHFFFAOYSA-N 1 2 225.292 0.484 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1F ZINC000680388424 487583216 /nfs/dbraw/zinc/58/32/16/487583216.db2.gz UCWGQSFKHAFBDA-HTQZYQBOSA-N 1 2 228.271 0.288 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1=O ZINC000670991419 487583217 /nfs/dbraw/zinc/58/32/17/487583217.db2.gz CJFFXFNKWPXUHV-WCBMZHEXSA-N 1 2 238.291 0.233 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1F ZINC000680388424 487583220 /nfs/dbraw/zinc/58/32/20/487583220.db2.gz UCWGQSFKHAFBDA-HTQZYQBOSA-N 1 2 228.271 0.288 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1=O ZINC000670991421 487583545 /nfs/dbraw/zinc/58/35/45/487583545.db2.gz CJFFXFNKWPXUHV-WPRPVWTQSA-N 1 2 238.291 0.233 20 0 BCADLO Cc1ccc([C@H]([NH3+])C(=O)NCc2nnc[nH]2)cc1 ZINC000228092845 487586395 /nfs/dbraw/zinc/58/63/95/487586395.db2.gz VXXXNHJJPSVUEY-NSHDSACASA-N 1 2 245.286 0.429 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000070100266 167258314 /nfs/dbraw/zinc/25/83/14/167258314.db2.gz NAGWAMFZWPCUCC-NSHDSACASA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000070100266 167258318 /nfs/dbraw/zinc/25/83/18/167258318.db2.gz NAGWAMFZWPCUCC-NSHDSACASA-N 1 2 241.335 0.638 20 0 BCADLO COC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000674525242 487593049 /nfs/dbraw/zinc/59/30/49/487593049.db2.gz AMWAGNWDRGYLMW-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCN1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC000680436212 487594271 /nfs/dbraw/zinc/59/42/71/487594271.db2.gz MZWPXKPZPNANOH-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CCN1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC000680436212 487594275 /nfs/dbraw/zinc/59/42/75/487594275.db2.gz MZWPXKPZPNANOH-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[N@@H+](Cc1ccsc1)[C@@H]1CC(=O)NC1=O ZINC000653279132 487598228 /nfs/dbraw/zinc/59/82/28/487598228.db2.gz HDAUHNHRIXIRFW-MRVPVSSYSA-N 1 2 224.285 0.595 20 0 BCADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cc[nH]n1 ZINC000290279730 167317075 /nfs/dbraw/zinc/31/70/75/167317075.db2.gz YYPGZSGREFXXKC-UHFFFAOYSA-N 1 2 231.321 0.323 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)C(=O)N1 ZINC000653281046 487609419 /nfs/dbraw/zinc/60/94/19/487609419.db2.gz VSIOXIZIXAFKEW-RQJHMYQMSA-N 1 2 248.229 0.105 20 0 BCADLO O=C1C[C@H]([N@H+]2CCC[C@@H](OC(F)F)C2)C(=O)N1 ZINC000653281046 487609424 /nfs/dbraw/zinc/60/94/24/487609424.db2.gz VSIOXIZIXAFKEW-RQJHMYQMSA-N 1 2 248.229 0.105 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC000660729219 409670368 /nfs/dbraw/zinc/67/03/68/409670368.db2.gz WYVGPTKCNLAXSZ-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC(C)(C)OC)C1 ZINC000660729568 409670831 /nfs/dbraw/zinc/67/08/31/409670831.db2.gz ZVJCTHNRPSXREC-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@](C)(C(F)F)C2)C1=O ZINC000662370689 409680176 /nfs/dbraw/zinc/68/01/76/409680176.db2.gz GXJZPYZFKICMSR-KWQFWETISA-N 1 2 248.273 0.573 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@](C)(C(F)F)C2)C1=O ZINC000662370689 409680184 /nfs/dbraw/zinc/68/01/84/409680184.db2.gz GXJZPYZFKICMSR-KWQFWETISA-N 1 2 248.273 0.573 20 0 BCADLO COCC1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000655252079 409755868 /nfs/dbraw/zinc/75/58/68/409755868.db2.gz FQQBZZGRZJZACR-UHFFFAOYSA-N 1 2 240.347 0.871 20 0 BCADLO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)OC ZINC000151655963 409827052 /nfs/dbraw/zinc/82/70/52/409827052.db2.gz YQRHPZXAAPOPBM-JTQLQIEISA-N 1 2 217.265 0.481 20 0 BCADLO CC[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000660844171 409838534 /nfs/dbraw/zinc/83/85/34/409838534.db2.gz KSYOHKLJNKKSHY-SSDOTTSWSA-N 1 2 215.253 0.632 20 0 BCADLO CC[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000660844171 409838541 /nfs/dbraw/zinc/83/85/41/409838541.db2.gz KSYOHKLJNKKSHY-SSDOTTSWSA-N 1 2 215.253 0.632 20 0 BCADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1n[nH]c(=O)o1 ZINC000660844551 409843792 /nfs/dbraw/zinc/84/37/92/409843792.db2.gz OYWQNQUOEGFNFT-ZCFIWIBFSA-N 1 2 249.217 0.631 20 0 BCADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1n[nH]c(=O)o1 ZINC000660844551 409843799 /nfs/dbraw/zinc/84/37/99/409843799.db2.gz OYWQNQUOEGFNFT-ZCFIWIBFSA-N 1 2 249.217 0.631 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCn1cccn1 ZINC000660833051 409814176 /nfs/dbraw/zinc/81/41/76/409814176.db2.gz JSZWGZKUIAKSIW-UHFFFAOYSA-N 1 2 248.290 0.448 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCn1cccn1 ZINC000660833051 409814183 /nfs/dbraw/zinc/81/41/83/409814183.db2.gz JSZWGZKUIAKSIW-UHFFFAOYSA-N 1 2 248.290 0.448 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)cn2)C1 ZINC000660834447 409817143 /nfs/dbraw/zinc/81/71/43/409817143.db2.gz XRZKYYILWZROKQ-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)cn2)C1 ZINC000660834447 409817152 /nfs/dbraw/zinc/81/71/52/409817152.db2.gz XRZKYYILWZROKQ-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)NC(=O)NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047575149 409895854 /nfs/dbraw/zinc/89/58/54/409895854.db2.gz WBKIUCNMOPVUDD-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO O=C1C[C@@H](C[N@H+]2CCCC(F)(F)C2)CN1 ZINC000660911899 409960427 /nfs/dbraw/zinc/96/04/27/409960427.db2.gz KTFZKPTWTMJVAN-MRVPVSSYSA-N 1 2 218.247 0.854 20 0 BCADLO O=C1C[C@@H](C[N@@H+]2CCCC(F)(F)C2)CN1 ZINC000660911899 409960432 /nfs/dbraw/zinc/96/04/32/409960432.db2.gz KTFZKPTWTMJVAN-MRVPVSSYSA-N 1 2 218.247 0.854 20 0 BCADLO CSCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600426881 410042985 /nfs/dbraw/zinc/04/29/85/410042985.db2.gz VOQKFYJWSMEEKP-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CSCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600426881 410042990 /nfs/dbraw/zinc/04/29/90/410042990.db2.gz VOQKFYJWSMEEKP-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CN(C(=O)C[N@H+](C)Cc1cn[nH]c1)C1CC1 ZINC000674753410 487612969 /nfs/dbraw/zinc/61/29/69/487612969.db2.gz LQHSGWVEKWZBKG-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CN(C(=O)C[N@@H+](C)Cc1cn[nH]c1)C1CC1 ZINC000674753410 487612970 /nfs/dbraw/zinc/61/29/70/487612970.db2.gz LQHSGWVEKWZBKG-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO Cc1c(NC[C@H](C)O)nc[nH+]c1NC[C@H](C)O ZINC000663315548 410108475 /nfs/dbraw/zinc/10/84/75/410108475.db2.gz LANNPKJEJMXIBB-YUMQZZPRSA-N 1 2 240.307 0.370 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000661123394 410278772 /nfs/dbraw/zinc/27/87/72/410278772.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000661123394 410278779 /nfs/dbraw/zinc/27/87/79/410278779.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000661123394 410278784 /nfs/dbraw/zinc/27/87/84/410278784.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000661123394 410278791 /nfs/dbraw/zinc/27/87/91/410278791.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000661123394 410278794 /nfs/dbraw/zinc/27/87/94/410278794.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000661123394 410278801 /nfs/dbraw/zinc/27/88/01/410278801.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO O=C([O-])c1cc(N2CCn3c[nH+]cc3C2)cc[nH+]1 ZINC000650771086 410421861 /nfs/dbraw/zinc/42/18/61/410421861.db2.gz MQSSPYCJCHAHCS-UHFFFAOYSA-N 1 2 244.254 0.997 20 0 BCADLO Cc1cc(N(C)Cc2c[nH+]c[nH]2)n2ncnc2n1 ZINC000664127770 410461402 /nfs/dbraw/zinc/46/14/02/410461402.db2.gz RIYFXBAMWWUTLH-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO Cc1cc(N(C)Cc2c[nH]c[nH+]2)n2ncnc2n1 ZINC000664127770 410461411 /nfs/dbraw/zinc/46/14/11/410461411.db2.gz RIYFXBAMWWUTLH-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000635455651 410439402 /nfs/dbraw/zinc/43/94/02/410439402.db2.gz GPRKLDFZAYSBFT-PHIMTYICSA-N 1 2 249.314 0.887 20 0 BCADLO CC[C@@H](CO)N(C)c1[nH+]cnc2c1cnn2C ZINC000294254059 410522343 /nfs/dbraw/zinc/52/23/43/410522343.db2.gz WVDOCELPOZEMCX-QMMMGPOBSA-N 1 2 235.291 0.570 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@]2(C)CO)no1 ZINC000680583488 487617551 /nfs/dbraw/zinc/61/75/51/487617551.db2.gz ZDOIMBZVOQWBKU-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@]2(C)CO)no1 ZINC000680583488 487617561 /nfs/dbraw/zinc/61/75/61/487617561.db2.gz ZDOIMBZVOQWBKU-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO C[C@H](NC(=O)c1ncnn1C)c1[nH+]ccn1C ZINC000664454048 410585189 /nfs/dbraw/zinc/58/51/89/410585189.db2.gz AXNPXQDHVUSWKL-ZETCQYMHSA-N 1 2 234.263 0.040 20 0 BCADLO Cc1nc(N(C)C[C@H]2COCCO2)cc[nH+]1 ZINC000664337741 410557500 /nfs/dbraw/zinc/55/75/00/410557500.db2.gz QDAWFYUUFIANGF-JTQLQIEISA-N 1 2 223.276 0.637 20 0 BCADLO COCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650982691 410670920 /nfs/dbraw/zinc/67/09/20/410670920.db2.gz DCRXSMNMQNVSMF-UHFFFAOYSA-N 1 2 237.303 0.525 20 0 BCADLO O[C@H]1CC[N@H+](CC2(O)CCCC2)CC1(F)F ZINC000661401887 410615614 /nfs/dbraw/zinc/61/56/14/410615614.db2.gz RRYHULFISRCBIV-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO O[C@H]1CC[N@@H+](CC2(O)CCCC2)CC1(F)F ZINC000661401887 410615618 /nfs/dbraw/zinc/61/56/18/410615618.db2.gz RRYHULFISRCBIV-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000680582368 487617928 /nfs/dbraw/zinc/61/79/28/487617928.db2.gz BBNYSZUSVFJMJS-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccon1 ZINC000680582368 487617929 /nfs/dbraw/zinc/61/79/29/487617929.db2.gz BBNYSZUSVFJMJS-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@]2(C)CO)no1 ZINC000680583487 487617993 /nfs/dbraw/zinc/61/79/93/487617993.db2.gz ZDOIMBZVOQWBKU-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@]2(C)CO)no1 ZINC000680583487 487617995 /nfs/dbraw/zinc/61/79/95/487617995.db2.gz ZDOIMBZVOQWBKU-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1CCO ZINC000661499642 410712657 /nfs/dbraw/zinc/71/26/57/410712657.db2.gz QPDNHWNYTIOTHK-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1CCO ZINC000661499642 410712660 /nfs/dbraw/zinc/71/26/60/410712660.db2.gz QPDNHWNYTIOTHK-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO Cc1n[nH]cc1CCCNC(=O)Cn1cc[nH+]c1 ZINC000394115606 410776149 /nfs/dbraw/zinc/77/61/49/410776149.db2.gz VVPRKKRMZGAOIM-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(CCCO)nn1 ZINC000394132374 410778823 /nfs/dbraw/zinc/77/88/23/410778823.db2.gz NLTDYTPMRQUZHU-UHFFFAOYSA-N 1 2 248.286 0.655 20 0 BCADLO CC1(C)C[N@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309320804 410824491 /nfs/dbraw/zinc/82/44/91/410824491.db2.gz PDYRSIYASKTXEN-SNVBAGLBSA-N 1 2 225.292 0.381 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309320804 410824495 /nfs/dbraw/zinc/82/44/95/410824495.db2.gz PDYRSIYASKTXEN-SNVBAGLBSA-N 1 2 225.292 0.381 20 0 BCADLO CC(C)C[NH2+]N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377008036 167010293 /nfs/dbraw/zinc/01/02/93/167010293.db2.gz SEMZRPKRGFBUAJ-VHSXEESVSA-N 1 2 232.349 0.266 20 0 BCADLO CC(C)[N@@H+]1CC[C@H](N(C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000333065201 167025786 /nfs/dbraw/zinc/02/57/86/167025786.db2.gz JBDAGIMFTRDJGT-VIFPVBQESA-N 1 2 239.323 0.425 20 0 BCADLO CC(C)[N@H+]1CC[C@H](N(C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000333065201 167025789 /nfs/dbraw/zinc/02/57/89/167025789.db2.gz JBDAGIMFTRDJGT-VIFPVBQESA-N 1 2 239.323 0.425 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000009975874 167048111 /nfs/dbraw/zinc/04/81/11/167048111.db2.gz LEZPBXXUPHEUJL-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000009975874 167048114 /nfs/dbraw/zinc/04/81/14/167048114.db2.gz LEZPBXXUPHEUJL-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000376539482 167054324 /nfs/dbraw/zinc/05/43/24/167054324.db2.gz HVVHQCFKAJOJGP-KOLCDFICSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000376539482 167054326 /nfs/dbraw/zinc/05/43/26/167054326.db2.gz HVVHQCFKAJOJGP-KOLCDFICSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cscn1 ZINC000040421232 167059639 /nfs/dbraw/zinc/05/96/39/167059639.db2.gz IGRIDIXFTSOLJR-UHFFFAOYSA-N 1 2 213.306 0.757 20 0 BCADLO CC(C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280811145 167083731 /nfs/dbraw/zinc/08/37/31/167083731.db2.gz RETUJKKVVWMPLX-JTQLQIEISA-N 1 2 224.308 0.547 20 0 BCADLO CC(=O)NCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000651310090 410916531 /nfs/dbraw/zinc/91/65/31/410916531.db2.gz HSLAXULLZXWFBO-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337440399 167233149 /nfs/dbraw/zinc/23/31/49/167233149.db2.gz FOZSUZXWXKPFFD-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337440399 167233150 /nfs/dbraw/zinc/23/31/50/167233150.db2.gz FOZSUZXWXKPFFD-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCCNC(=O)NCc1[nH+]ccn1C ZINC000273290365 167239333 /nfs/dbraw/zinc/23/93/33/167239333.db2.gz MPBVDDHTBBWRND-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO CC(C)[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104779219 167377376 /nfs/dbraw/zinc/37/73/76/167377376.db2.gz QHJHTIHRWSJHKR-GHMZBOCLSA-N 1 2 243.351 0.661 20 0 BCADLO CC(C)[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104779219 167377377 /nfs/dbraw/zinc/37/73/77/167377377.db2.gz QHJHTIHRWSJHKR-GHMZBOCLSA-N 1 2 243.351 0.661 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651411854 410994341 /nfs/dbraw/zinc/99/43/41/410994341.db2.gz CWCSORODTKQFIO-KNVOCYPGSA-N 1 2 246.274 0.039 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000651413738 410995142 /nfs/dbraw/zinc/99/51/42/410995142.db2.gz KWSGSFWSUUQYBH-OTSSQURYSA-N 1 2 247.302 0.727 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000651413738 410995148 /nfs/dbraw/zinc/99/51/48/410995148.db2.gz KWSGSFWSUUQYBH-OTSSQURYSA-N 1 2 247.302 0.727 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cc[nH+]c(C)n1 ZINC000651417991 410998179 /nfs/dbraw/zinc/99/81/79/410998179.db2.gz NNMDIZQPBSRKGX-NXEZZACHSA-N 1 2 223.276 0.371 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cccc[nH+]1 ZINC000651417890 410999410 /nfs/dbraw/zinc/99/94/10/410999410.db2.gz IZZVPBOOIGBTDN-NXEZZACHSA-N 1 2 208.261 0.668 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@H](O)C2)c1 ZINC000042470057 411005328 /nfs/dbraw/zinc/00/53/28/411005328.db2.gz RAFMATDDLJPAHK-JTQLQIEISA-N 1 2 208.261 0.535 20 0 BCADLO COCCN(CCOC)c1cc(CO)cc[nH+]1 ZINC000042442882 411006005 /nfs/dbraw/zinc/00/60/05/411006005.db2.gz RAJIWRURMYRVCU-UHFFFAOYSA-N 1 2 240.303 0.673 20 0 BCADLO C[C@@H]1C[NH+](Cc2c[nH]nn2)C[C@@H](C)C1O ZINC000661620331 411070993 /nfs/dbraw/zinc/07/09/93/411070993.db2.gz JAHFFLYSIVHDBF-HTQZYQBOSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[NH+](Cc2cnn[nH]2)C[C@@H](C)C1O ZINC000661620331 411070998 /nfs/dbraw/zinc/07/09/98/411070998.db2.gz JAHFFLYSIVHDBF-HTQZYQBOSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[NH+](Cc2cn[nH]n2)C[C@@H](C)C1O ZINC000661620331 411071003 /nfs/dbraw/zinc/07/10/03/411071003.db2.gz JAHFFLYSIVHDBF-HTQZYQBOSA-N 1 2 210.281 0.253 20 0 BCADLO CCc1cc(N[C@@H](C)C(=O)NC)nc[nH+]1 ZINC000042571469 411016424 /nfs/dbraw/zinc/01/64/24/411016424.db2.gz GQFCSFVVGXVUKM-ZETCQYMHSA-N 1 2 208.265 0.585 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399236221 411027081 /nfs/dbraw/zinc/02/70/81/411027081.db2.gz KXSHJASWMPRMCP-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399236221 411027087 /nfs/dbraw/zinc/02/70/87/411027087.db2.gz KXSHJASWMPRMCP-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@@H]1C[C@@H]1c1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000643183365 411147504 /nfs/dbraw/zinc/14/75/04/411147504.db2.gz YBXSZBWOGABUMX-BDAKNGLRSA-N 1 2 245.286 1.368 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636506 411153352 /nfs/dbraw/zinc/15/33/52/411153352.db2.gz AVHTWKVDKFTLLS-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636506 411153354 /nfs/dbraw/zinc/15/33/54/411153354.db2.gz AVHTWKVDKFTLLS-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO CC1(O)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651546317 411118048 /nfs/dbraw/zinc/11/80/48/411118048.db2.gz PSVOXUBAUSPUFX-UHFFFAOYSA-N 1 2 249.314 0.355 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOC1 ZINC000651565650 411124031 /nfs/dbraw/zinc/12/40/31/411124031.db2.gz WSWWYVCQEJNVSK-SNVBAGLBSA-N 1 2 249.314 0.667 20 0 BCADLO CC(=O)N1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660008245 411170848 /nfs/dbraw/zinc/17/08/48/411170848.db2.gz ZIHGWQLUEXUODR-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO Cn1cnc(C[N@H+](C)CCN2CCOCC2)c1 ZINC000659878354 411171797 /nfs/dbraw/zinc/17/17/97/411171797.db2.gz YKKAWFJMIAQKDF-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO Cn1cnc(C[N@@H+](C)CCN2CCOCC2)c1 ZINC000659878354 411171801 /nfs/dbraw/zinc/17/18/01/411171801.db2.gz YKKAWFJMIAQKDF-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cn(C)cn1 ZINC000659878354 411171802 /nfs/dbraw/zinc/17/18/02/411171802.db2.gz YKKAWFJMIAQKDF-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO CNC(=O)CN(C)c1nc(C)[nH+]cc1C ZINC000656106578 411179919 /nfs/dbraw/zinc/17/99/19/411179919.db2.gz OLPKATOXORLWRA-UHFFFAOYSA-N 1 2 208.265 0.276 20 0 BCADLO CC1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000123691148 411182558 /nfs/dbraw/zinc/18/25/58/411182558.db2.gz LDALMISHJNEJJN-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO CC1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000123691148 411182559 /nfs/dbraw/zinc/18/25/59/411182559.db2.gz LDALMISHJNEJJN-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO COC[C@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656125431 411183243 /nfs/dbraw/zinc/18/32/43/411183243.db2.gz KZCDNDQYKSFXKE-LLVKDONJSA-N 1 2 241.291 0.603 20 0 BCADLO COc1c(C)[nH+]cnc1NCC1(CO)CC1 ZINC000656135198 411184947 /nfs/dbraw/zinc/18/49/47/411184947.db2.gz VECDCMRQDKQVAX-UHFFFAOYSA-N 1 2 223.276 0.978 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)C2CC2)n1 ZINC000656155667 411186123 /nfs/dbraw/zinc/18/61/23/411186123.db2.gz ZWVWWPFEHXIHGZ-VIFPVBQESA-N 1 2 239.323 0.289 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@@H](C)[C@H](O)C1 ZINC000656151590 411187067 /nfs/dbraw/zinc/18/70/67/411187067.db2.gz LTLPFUOJECERNG-VXNVDRBHSA-N 1 2 223.276 0.611 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H]1CNC(=O)C1 ZINC000656153315 411188715 /nfs/dbraw/zinc/18/87/15/411188715.db2.gz OSBAHVMRURHRDU-ZETCQYMHSA-N 1 2 222.248 0.094 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H]1CNC(=O)C1 ZINC000656153353 411188826 /nfs/dbraw/zinc/18/88/26/411188826.db2.gz PMLBIKROYNLWHD-MRVPVSSYSA-N 1 2 206.249 0.394 20 0 BCADLO CCN(C)C(=O)CNc1nc[nH+]c(C)c1OC ZINC000656164483 411189311 /nfs/dbraw/zinc/18/93/11/411189311.db2.gz JAHCRWYLSAXCGU-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)C1CC(O)C1 ZINC000656159362 411190627 /nfs/dbraw/zinc/19/06/27/411190627.db2.gz QWQQFYDLBVTZLR-UHFFFAOYSA-N 1 2 223.276 0.753 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H]2C[C@@H]21 ZINC000656187925 411196604 /nfs/dbraw/zinc/19/66/04/411196604.db2.gz NMPDEDMURSWWCX-APPZFPTMSA-N 1 2 244.302 0.934 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653869496 411201749 /nfs/dbraw/zinc/20/17/49/411201749.db2.gz RROXSZQJOJIXFR-WYUUTHIRSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653869496 411201752 /nfs/dbraw/zinc/20/17/52/411201752.db2.gz RROXSZQJOJIXFR-WYUUTHIRSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863434 411201796 /nfs/dbraw/zinc/20/17/96/411201796.db2.gz RROXSZQJOJIXFR-WISYIIOYSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863434 411201799 /nfs/dbraw/zinc/20/17/99/411201799.db2.gz RROXSZQJOJIXFR-WISYIIOYSA-N 1 2 238.331 0.622 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC(C)(CO)C1 ZINC000656196792 411202103 /nfs/dbraw/zinc/20/21/03/411202103.db2.gz JCVYVFQRQMCFFF-UHFFFAOYSA-N 1 2 223.276 0.612 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCC[C@@](O)(CO)C1 ZINC000656199868 411204672 /nfs/dbraw/zinc/20/46/72/411204672.db2.gz AXCXXHNARFDRGS-LBPRGKRZSA-N 1 2 237.303 0.417 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCCO1 ZINC000653875687 411205566 /nfs/dbraw/zinc/20/55/66/411205566.db2.gz YIFROCNYFJAFEH-IUCAKERBSA-N 1 2 240.307 0.948 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@H]1CNC(=O)C1 ZINC000656201583 411206282 /nfs/dbraw/zinc/20/62/82/411206282.db2.gz CJIVNDCOFPAEPC-QMMMGPOBSA-N 1 2 236.275 0.342 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](CO)CCF ZINC000656202883 411206658 /nfs/dbraw/zinc/20/66/58/411206658.db2.gz BGIRTTMJSREYPM-LURJTMIESA-N 1 2 230.243 0.200 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](CO)CCF ZINC000656202883 411206660 /nfs/dbraw/zinc/20/66/60/411206660.db2.gz BGIRTTMJSREYPM-LURJTMIESA-N 1 2 230.243 0.200 20 0 BCADLO CO[C@](C)(CO)CNc1cc(C)[nH+]cn1 ZINC000656205805 411207977 /nfs/dbraw/zinc/20/79/77/411207977.db2.gz LUJPEYNHLRXIEA-JTQLQIEISA-N 1 2 211.265 0.594 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653889309 411209593 /nfs/dbraw/zinc/20/95/93/411209593.db2.gz YYRKFNGJLPXROO-SNVBAGLBSA-N 1 2 243.307 0.597 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653889309 411209596 /nfs/dbraw/zinc/20/95/96/411209596.db2.gz YYRKFNGJLPXROO-SNVBAGLBSA-N 1 2 243.307 0.597 20 0 BCADLO Cc1nccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000048780863 411214016 /nfs/dbraw/zinc/21/40/16/411214016.db2.gz PILDVCWIRZGHJO-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)o1 ZINC000653898078 411214392 /nfs/dbraw/zinc/21/43/92/411214392.db2.gz UYHXLXRVXIZQLC-ZETCQYMHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](C)O)C2CC2)o1 ZINC000653898078 411214394 /nfs/dbraw/zinc/21/43/94/411214394.db2.gz UYHXLXRVXIZQLC-ZETCQYMHSA-N 1 2 211.265 0.723 20 0 BCADLO O[C@@H]1CCC[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000656434147 411246318 /nfs/dbraw/zinc/24/63/18/411246318.db2.gz POUITLVIJZJGEL-WDEREUQCSA-N 1 2 233.275 0.609 20 0 BCADLO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC000658053713 411220810 /nfs/dbraw/zinc/22/08/10/411220810.db2.gz YMFLABNIHBCYGX-BDAKNGLRSA-N 1 2 222.292 0.442 20 0 BCADLO CCCNC(=O)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655682879 411224390 /nfs/dbraw/zinc/22/43/90/411224390.db2.gz MRBBGANZIUVLNE-JTQLQIEISA-N 1 2 236.319 0.834 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653712528 411228179 /nfs/dbraw/zinc/22/81/79/411228179.db2.gz KRKJTBGLSIBUFD-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653712528 411228182 /nfs/dbraw/zinc/22/81/82/411228182.db2.gz KRKJTBGLSIBUFD-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC12CCOCC2 ZINC000652401496 411228874 /nfs/dbraw/zinc/22/88/74/411228874.db2.gz JQRVMPWMGNVMRO-JTQLQIEISA-N 1 2 235.287 0.568 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCCO)c1 ZINC000656368929 411235992 /nfs/dbraw/zinc/23/59/92/411235992.db2.gz GXDXGAZUWLHVDK-ZDUSSCGKSA-N 1 2 248.326 0.850 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCCO)c1 ZINC000656368929 411235998 /nfs/dbraw/zinc/23/59/98/411235998.db2.gz GXDXGAZUWLHVDK-ZDUSSCGKSA-N 1 2 248.326 0.850 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@@H](O)[C@H]1C)n1cc[nH+]c1 ZINC000652417750 411236772 /nfs/dbraw/zinc/23/67/72/411236772.db2.gz ZXCAZUKUWWMWPI-HBNTYKKESA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660118421 411237370 /nfs/dbraw/zinc/23/73/70/411237370.db2.gz UVHQRZKSJMEASJ-UWVGGRQHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660118421 411237373 /nfs/dbraw/zinc/23/73/73/411237373.db2.gz UVHQRZKSJMEASJ-UWVGGRQHSA-N 1 2 224.308 0.440 20 0 BCADLO CC(C)n1cc(C[NH2+]C2COCCOC2)nn1 ZINC000310468567 411237937 /nfs/dbraw/zinc/23/79/37/411237937.db2.gz HQLNQXSISDXSJV-UHFFFAOYSA-N 1 2 240.307 0.364 20 0 BCADLO Cc1nc(NC[C@H](CO)C2CC2)cc[nH+]1 ZINC000336735430 411166353 /nfs/dbraw/zinc/16/63/53/411166353.db2.gz OEKDQBCWIKDHLL-SNVBAGLBSA-N 1 2 207.277 1.215 20 0 BCADLO C[C@@H]([NH3+])CNC(=O)c1cc(F)c(F)c(O)c1F ZINC000111302060 411166794 /nfs/dbraw/zinc/16/67/94/411166794.db2.gz QKAYLIMBWASAQT-SCSAIBSYSA-N 1 2 248.204 0.887 20 0 BCADLO CC[C@H]([NH2+]CCCNC(C)=O)C(=O)OC ZINC000192831675 411261997 /nfs/dbraw/zinc/26/19/97/411261997.db2.gz VCCUSOQLBPSXDX-VIFPVBQESA-N 1 2 216.281 0.054 20 0 BCADLO CC(C)(C)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656454118 411262294 /nfs/dbraw/zinc/26/22/94/411262294.db2.gz HBNTVJFZDWFGSJ-JTQLQIEISA-N 1 2 224.308 0.985 20 0 BCADLO COCC[N@H+](C)Cc1cn(CCF)nn1 ZINC000656454870 411263134 /nfs/dbraw/zinc/26/31/34/411263134.db2.gz PAWQBGMSDSEJCE-UHFFFAOYSA-N 1 2 216.260 0.326 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CCF)nn1 ZINC000656454870 411263135 /nfs/dbraw/zinc/26/31/35/411263135.db2.gz PAWQBGMSDSEJCE-UHFFFAOYSA-N 1 2 216.260 0.326 20 0 BCADLO FCCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656457568 411266425 /nfs/dbraw/zinc/26/64/25/411266425.db2.gz OIJXVJRDXYTUDA-SNVBAGLBSA-N 1 2 228.271 0.689 20 0 BCADLO Cn1cnc(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000660153829 411267300 /nfs/dbraw/zinc/26/73/00/411267300.db2.gz HVTSCXSPPDBKLJ-SNVBAGLBSA-N 1 2 227.333 0.330 20 0 BCADLO Cn1cnc(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000660153829 411267301 /nfs/dbraw/zinc/26/73/01/411267301.db2.gz HVTSCXSPPDBKLJ-SNVBAGLBSA-N 1 2 227.333 0.330 20 0 BCADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)nn1C ZINC000092094073 411268908 /nfs/dbraw/zinc/26/89/08/411268908.db2.gz XDWVKYCYXWWAOU-UHFFFAOYSA-N 1 2 234.263 0.773 20 0 BCADLO CCc1ccncc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000652896578 411271246 /nfs/dbraw/zinc/27/12/46/411271246.db2.gz RQESIQGKXAUHEB-LBPRGKRZSA-N 1 2 249.314 0.913 20 0 BCADLO CCc1ccncc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000652896578 411271248 /nfs/dbraw/zinc/27/12/48/411271248.db2.gz RQESIQGKXAUHEB-LBPRGKRZSA-N 1 2 249.314 0.913 20 0 BCADLO Cc1nc(NC[C@H](C)Cn2cccn2)nc(N)[nH+]1 ZINC000631062249 411274744 /nfs/dbraw/zinc/27/47/44/411274744.db2.gz JGMVWQIGBKNASZ-QMMMGPOBSA-N 1 2 247.306 0.129 20 0 BCADLO Cc1nc(N)nc(NC[C@H](C)Cn2cccn2)[nH+]1 ZINC000631062249 411274749 /nfs/dbraw/zinc/27/47/49/411274749.db2.gz JGMVWQIGBKNASZ-QMMMGPOBSA-N 1 2 247.306 0.129 20 0 BCADLO Cc1nc(N[C@H](C)C[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000631164903 411277653 /nfs/dbraw/zinc/27/76/53/411277653.db2.gz DNFHZBZGMXHMMC-APPZFPTMSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C[C@@H]2CCOC2)[nH+]1 ZINC000631164903 411277654 /nfs/dbraw/zinc/27/76/54/411277654.db2.gz DNFHZBZGMXHMMC-APPZFPTMSA-N 1 2 237.307 0.411 20 0 BCADLO [NH3+]CC1(CCNC(=O)N=c2cccn[nH]2)CC1 ZINC000652583278 411281599 /nfs/dbraw/zinc/28/15/99/411281599.db2.gz WDUVZMNTEWDZOJ-UHFFFAOYSA-N 1 2 235.291 0.149 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000660485243 411282674 /nfs/dbraw/zinc/28/26/74/411282674.db2.gz DNALMZAGZJGWKH-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO Cc1nc(N2CC=C(C)CC2)nc(N)[nH+]1 ZINC000631184779 411283307 /nfs/dbraw/zinc/28/33/07/411283307.db2.gz YRIXMGSHQYCJHW-UHFFFAOYSA-N 1 2 205.265 0.919 20 0 BCADLO Cc1nc(N)nc(N2CC=C(C)CC2)[nH+]1 ZINC000631184779 411283309 /nfs/dbraw/zinc/28/33/09/411283309.db2.gz YRIXMGSHQYCJHW-UHFFFAOYSA-N 1 2 205.265 0.919 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1nc(N(C)C)no1 ZINC000565227829 411294042 /nfs/dbraw/zinc/29/40/42/411294042.db2.gz BLIFIMYEPFBINA-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BCADLO CCc1nc(CN2CCn3c[nH+]cc3C2)no1 ZINC000660577582 411330033 /nfs/dbraw/zinc/33/00/33/411330033.db2.gz HATQRJKVNBLLDU-UHFFFAOYSA-N 1 2 233.275 0.844 20 0 BCADLO CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000656544375 411299492 /nfs/dbraw/zinc/29/94/92/411299492.db2.gz YZANWKJESDMWHX-BDAKNGLRSA-N 1 2 215.297 0.025 20 0 BCADLO CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000656544375 411299493 /nfs/dbraw/zinc/29/94/93/411299493.db2.gz YZANWKJESDMWHX-BDAKNGLRSA-N 1 2 215.297 0.025 20 0 BCADLO O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCOCC1 ZINC000659812952 411299898 /nfs/dbraw/zinc/29/98/98/411299898.db2.gz CVFAJMBRYRLHHH-TUAOUCFPSA-N 1 2 238.331 0.766 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC000659828679 411311748 /nfs/dbraw/zinc/31/17/48/411311748.db2.gz IVKDBOUCBOJOCI-BDAKNGLRSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC000659828679 411311750 /nfs/dbraw/zinc/31/17/50/411311750.db2.gz IVKDBOUCBOJOCI-BDAKNGLRSA-N 1 2 224.308 0.885 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000359910434 411314393 /nfs/dbraw/zinc/31/43/93/411314393.db2.gz ZUBZXTNBHRNEAR-VXGBXAGGSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@H](CC(=O)N[C@H](CO)CCF)n1cc[nH+]c1 ZINC000652908500 411322885 /nfs/dbraw/zinc/32/28/85/411322885.db2.gz DVIGHKQMDFYZFK-ZJUUUORDSA-N 1 2 243.282 0.671 20 0 BCADLO CO[C@@H]1C[C@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2)C1 ZINC000652477281 411251987 /nfs/dbraw/zinc/25/19/87/411251987.db2.gz NUKSMCZUSPEBNL-NXEZZACHSA-N 1 2 239.275 0.057 20 0 BCADLO CO[C@@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2)C1 ZINC000652477281 411251990 /nfs/dbraw/zinc/25/19/90/411251990.db2.gz NUKSMCZUSPEBNL-NXEZZACHSA-N 1 2 239.275 0.057 20 0 BCADLO CCn1ncnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660141453 411256347 /nfs/dbraw/zinc/25/63/47/411256347.db2.gz DCVWKEOMQWKZEO-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO C[N@H+](CCO)Cc1cn(-c2nccs2)nn1 ZINC000656440365 411257431 /nfs/dbraw/zinc/25/74/31/411257431.db2.gz SROPRTOJGSEADY-UHFFFAOYSA-N 1 2 239.304 0.148 20 0 BCADLO C[N@@H+](CCO)Cc1cn(-c2nccs2)nn1 ZINC000656440365 411257433 /nfs/dbraw/zinc/25/74/33/411257433.db2.gz SROPRTOJGSEADY-UHFFFAOYSA-N 1 2 239.304 0.148 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2(C)CC2)c[nH+]1 ZINC000583456799 411258348 /nfs/dbraw/zinc/25/83/48/411258348.db2.gz YWDUGENNNUJDFR-UHFFFAOYSA-N 1 2 220.276 0.784 20 0 BCADLO CCN(C)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660143500 411258433 /nfs/dbraw/zinc/25/84/33/411258433.db2.gz DDSWYTVYMIOENO-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CN(Cc1cn(C)cn1)Cc1[nH]cc[nH+]1 ZINC000660143165 411258493 /nfs/dbraw/zinc/25/84/93/411258493.db2.gz RAMSGCRPQIVTHJ-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CC1(C)C[N@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000279798652 167962697 /nfs/dbraw/zinc/96/26/97/167962697.db2.gz OXOYSGHBDJEZHD-MRVPVSSYSA-N 1 2 222.292 0.262 20 0 BCADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000279798652 167962698 /nfs/dbraw/zinc/96/26/98/167962698.db2.gz OXOYSGHBDJEZHD-MRVPVSSYSA-N 1 2 222.292 0.262 20 0 BCADLO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1cnccn1 ZINC000662075168 411358573 /nfs/dbraw/zinc/35/85/73/411358573.db2.gz ZFAHXKJRIFJITO-UHFFFAOYSA-N 1 2 248.286 0.137 20 0 BCADLO O=C(C[N@H+]1CCC2(COC2)C1)Nc1cnccn1 ZINC000662075168 411358581 /nfs/dbraw/zinc/35/85/81/411358581.db2.gz ZFAHXKJRIFJITO-UHFFFAOYSA-N 1 2 248.286 0.137 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1 ZINC000660277911 411364400 /nfs/dbraw/zinc/36/44/00/411364400.db2.gz WQZITWDYRMZSNT-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1cnc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1 ZINC000660277911 411364401 /nfs/dbraw/zinc/36/44/01/411364401.db2.gz WQZITWDYRMZSNT-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO CCN1CC[C@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660584165 411337861 /nfs/dbraw/zinc/33/78/61/411337861.db2.gz QCWPGXRVIFINFS-NSHDSACASA-N 1 2 234.303 0.320 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cc(OC)no1 ZINC000659844469 411339002 /nfs/dbraw/zinc/33/90/02/411339002.db2.gz MBUUSVRDLQWKHL-UHFFFAOYSA-N 1 2 241.291 0.771 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cc(OC)no1 ZINC000659844469 411339003 /nfs/dbraw/zinc/33/90/03/411339003.db2.gz MBUUSVRDLQWKHL-UHFFFAOYSA-N 1 2 241.291 0.771 20 0 BCADLO CC1(C)[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000129632534 168001040 /nfs/dbraw/zinc/00/10/40/168001040.db2.gz CHVGGSYEFCRCMC-ZJUUUORDSA-N 1 2 237.303 0.549 20 0 BCADLO CC1(C)[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000283130745 168001244 /nfs/dbraw/zinc/00/12/44/168001244.db2.gz NLZZUJQHWUUUPM-OKWQPMOJSA-N 1 2 235.287 0.699 20 0 BCADLO O=C1C[C@@H](C[N@@H+](CC(F)F)C2CC2)CN1 ZINC000659906840 411379516 /nfs/dbraw/zinc/37/95/16/411379516.db2.gz RGAYTPGIAJSEQT-SSDOTTSWSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1C[C@@H](C[N@H+](CC(F)F)C2CC2)CN1 ZINC000659906840 411379520 /nfs/dbraw/zinc/37/95/20/411379520.db2.gz RGAYTPGIAJSEQT-SSDOTTSWSA-N 1 2 218.247 0.852 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404193696 411381982 /nfs/dbraw/zinc/38/19/82/411381982.db2.gz LXSZZVWKJRVOHD-LLVKDONJSA-N 1 2 225.292 0.349 20 0 BCADLO CC1CC[NH+](CC(=O)NCc2nnc[nH]2)CC1 ZINC000268568943 168177912 /nfs/dbraw/zinc/17/79/12/168177912.db2.gz QXIQSXISTWRWTG-UHFFFAOYSA-N 1 2 237.307 0.153 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000092705853 168240214 /nfs/dbraw/zinc/24/02/14/168240214.db2.gz FZZSQJNPPMMFSP-JTQLQIEISA-N 1 2 236.319 0.900 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092705853 168240215 /nfs/dbraw/zinc/24/02/15/168240215.db2.gz FZZSQJNPPMMFSP-JTQLQIEISA-N 1 2 236.319 0.900 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)nc(C)n1 ZINC000660491109 411386726 /nfs/dbraw/zinc/38/67/26/411386726.db2.gz FABDXUYQVFZMLA-GFCCVEGCSA-N 1 2 239.294 1.000 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)nc(C)n1 ZINC000660491109 411386729 /nfs/dbraw/zinc/38/67/29/411386729.db2.gz FABDXUYQVFZMLA-GFCCVEGCSA-N 1 2 239.294 1.000 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)O ZINC000654853709 411455707 /nfs/dbraw/zinc/45/57/07/411455707.db2.gz INKWDCIUQOHECE-BDAKNGLRSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)O ZINC000654853709 411455708 /nfs/dbraw/zinc/45/57/08/411455708.db2.gz INKWDCIUQOHECE-BDAKNGLRSA-N 1 2 225.292 0.428 20 0 BCADLO CCc1nc(N(C)CC(=O)N(C)C)cc(C)[nH+]1 ZINC000285780868 411457164 /nfs/dbraw/zinc/45/71/64/411457164.db2.gz WTHUIGNPPKBGRZ-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000659812139 411460031 /nfs/dbraw/zinc/46/00/31/411460031.db2.gz PGCIYVLODLNURQ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000659812139 411460035 /nfs/dbraw/zinc/46/00/35/411460035.db2.gz PGCIYVLODLNURQ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO O=C(CCn1cccn1)NCCCn1cc[nH+]c1 ZINC000126878787 411460948 /nfs/dbraw/zinc/46/09/48/411460948.db2.gz BXAKZQKGBKAEDO-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H](O)C1(C)C ZINC000131083666 411405677 /nfs/dbraw/zinc/40/56/77/411405677.db2.gz LJCXOSYKZQTSBE-RQJHMYQMSA-N 1 2 238.291 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H](O)C1(C)C ZINC000131083666 411405680 /nfs/dbraw/zinc/40/56/80/411405680.db2.gz LJCXOSYKZQTSBE-RQJHMYQMSA-N 1 2 238.291 0.639 20 0 BCADLO CC(C)(C)n1nnc(CC[NH+]2CCOCC2)n1 ZINC000659814790 411462128 /nfs/dbraw/zinc/46/21/28/411462128.db2.gz VOPDYMLZBUATEX-UHFFFAOYSA-N 1 2 239.323 0.303 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654908989 411462408 /nfs/dbraw/zinc/46/24/08/411462408.db2.gz QSAYDRQVXSSFSC-BDAKNGLRSA-N 1 2 225.292 0.333 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654908989 411462411 /nfs/dbraw/zinc/46/24/11/411462411.db2.gz QSAYDRQVXSSFSC-BDAKNGLRSA-N 1 2 225.292 0.333 20 0 BCADLO O[C@@H]1C[C@H]2C[N@@H+]([C@H]3C=CCCC3)CCN2C1 ZINC000405268282 411422600 /nfs/dbraw/zinc/42/26/00/411422600.db2.gz QKYMGKCPZQAFQR-RWMBFGLXSA-N 1 2 222.332 0.846 20 0 BCADLO O[C@@H]1C[C@H]2C[N@H+]([C@H]3C=CCCC3)CCN2C1 ZINC000405268282 411422602 /nfs/dbraw/zinc/42/26/02/411422602.db2.gz QKYMGKCPZQAFQR-RWMBFGLXSA-N 1 2 222.332 0.846 20 0 BCADLO C[C@@H](CNC(=O)c1ccnnc1)Cn1cc[nH+]c1 ZINC000270682498 411428022 /nfs/dbraw/zinc/42/80/22/411428022.db2.gz SLOUUTRTWBZULF-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)on1 ZINC000653595456 411431429 /nfs/dbraw/zinc/43/14/29/411431429.db2.gz JEZOSTSDHFWACT-CPCISQLKSA-N 1 2 224.260 0.690 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)on1 ZINC000653595456 411431431 /nfs/dbraw/zinc/43/14/31/411431431.db2.gz JEZOSTSDHFWACT-CPCISQLKSA-N 1 2 224.260 0.690 20 0 BCADLO Cc1nn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)o1 ZINC000657278871 411439207 /nfs/dbraw/zinc/43/92/07/411439207.db2.gz IXUCXRVQOFUYCM-DTORHVGOSA-N 1 2 241.291 0.254 20 0 BCADLO Cc1nn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)o1 ZINC000657278871 411439209 /nfs/dbraw/zinc/43/92/09/411439209.db2.gz IXUCXRVQOFUYCM-DTORHVGOSA-N 1 2 241.291 0.254 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC000657489829 411532544 /nfs/dbraw/zinc/53/25/44/411532544.db2.gz YGXKUCSZRSUVGN-QWRGUYRKSA-N 1 2 248.330 0.961 20 0 BCADLO NS(=O)(=O)c1cc(C[NH+]2CCCCC2)co1 ZINC000659834313 411469099 /nfs/dbraw/zinc/46/90/99/411469099.db2.gz UIFIOUZNAXNBOI-UHFFFAOYSA-N 1 2 244.316 0.913 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)no1 ZINC000659850719 411477410 /nfs/dbraw/zinc/47/74/10/411477410.db2.gz BTLOYVZBSXAAAD-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC000659850719 411477411 /nfs/dbraw/zinc/47/74/11/411477411.db2.gz BTLOYVZBSXAAAD-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC000307651398 411483514 /nfs/dbraw/zinc/48/35/14/411483514.db2.gz LUICKZFJKZQALI-IUCAKERBSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC000307651398 411483515 /nfs/dbraw/zinc/48/35/15/411483515.db2.gz LUICKZFJKZQALI-IUCAKERBSA-N 1 2 210.277 0.176 20 0 BCADLO CO[C@H](C[N@@H+]1CCn2cnnc2C1)C1CCC1 ZINC000659897328 411491754 /nfs/dbraw/zinc/49/17/54/411491754.db2.gz ZEAGPQNUWWRDHK-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@H](C[N@H+]1CCn2cnnc2C1)C1CCC1 ZINC000659897328 411491756 /nfs/dbraw/zinc/49/17/56/411491756.db2.gz ZEAGPQNUWWRDHK-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cn(C)nn2)c1C ZINC000307980283 411492478 /nfs/dbraw/zinc/49/24/78/411492478.db2.gz JOEOKFDRZRIOCE-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnco1 ZINC000655128103 411500612 /nfs/dbraw/zinc/50/06/12/411500612.db2.gz SEKPVNWBOVKTKW-UHFFFAOYSA-N 1 2 220.232 0.821 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000659932886 411502697 /nfs/dbraw/zinc/50/26/97/411502697.db2.gz PNLUGTQPOANMQP-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000659932886 411502698 /nfs/dbraw/zinc/50/26/98/411502698.db2.gz PNLUGTQPOANMQP-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000659932886 411502701 /nfs/dbraw/zinc/50/27/01/411502701.db2.gz PNLUGTQPOANMQP-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000659932886 411502704 /nfs/dbraw/zinc/50/27/04/411502704.db2.gz PNLUGTQPOANMQP-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000659943446 411506127 /nfs/dbraw/zinc/50/61/27/411506127.db2.gz VAQGOXSVPUQQPT-RKDXNWHRSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659943446 411506130 /nfs/dbraw/zinc/50/61/30/411506130.db2.gz VAQGOXSVPUQQPT-RKDXNWHRSA-N 1 2 248.273 0.621 20 0 BCADLO CCO[C@@H]1CCC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000659943418 411506316 /nfs/dbraw/zinc/50/63/16/411506316.db2.gz UJRZNBBKRLPCEJ-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCO[C@@H]1CCC[N@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000659943418 411506318 /nfs/dbraw/zinc/50/63/18/411506318.db2.gz UJRZNBBKRLPCEJ-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000657439816 411507948 /nfs/dbraw/zinc/50/79/48/411507948.db2.gz NJTSUIUBDPVQHD-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H](C)O)[nH]1 ZINC000659953764 411509988 /nfs/dbraw/zinc/50/99/88/411509988.db2.gz UNYQHLGMIQXECH-YUMQZZPRSA-N 1 2 212.297 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H](C)O)[nH]1 ZINC000659953764 411509989 /nfs/dbraw/zinc/50/99/89/411509989.db2.gz UNYQHLGMIQXECH-YUMQZZPRSA-N 1 2 212.297 0.741 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657447060 411513340 /nfs/dbraw/zinc/51/33/40/411513340.db2.gz VPEKJGKPIOXMHG-SECBINFHSA-N 1 2 224.308 0.675 20 0 BCADLO c1[nH]nnc1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659969015 411513913 /nfs/dbraw/zinc/51/39/13/411513913.db2.gz DXFDFAZEAXCVKJ-AOOOYVTPSA-N 1 2 208.265 0.210 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659969015 411513916 /nfs/dbraw/zinc/51/39/16/411513916.db2.gz DXFDFAZEAXCVKJ-AOOOYVTPSA-N 1 2 208.265 0.210 20 0 BCADLO c1n[nH]nc1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659969015 411513920 /nfs/dbraw/zinc/51/39/20/411513920.db2.gz DXFDFAZEAXCVKJ-AOOOYVTPSA-N 1 2 208.265 0.210 20 0 BCADLO c1n[nH]nc1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659969015 411513921 /nfs/dbraw/zinc/51/39/21/411513921.db2.gz DXFDFAZEAXCVKJ-AOOOYVTPSA-N 1 2 208.265 0.210 20 0 BCADLO Cc1[nH]c(CNC2COCCOC2)[nH+]c1C ZINC000657472464 411523396 /nfs/dbraw/zinc/52/33/96/411523396.db2.gz SSAHACYOWAZOEL-UHFFFAOYSA-N 1 2 225.292 0.532 20 0 BCADLO C[C@H](CCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814137 411523639 /nfs/dbraw/zinc/52/36/39/411523639.db2.gz LAHLKCWLBIWBTO-MRVPVSSYSA-N 1 2 227.312 0.289 20 0 BCADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814627 411524013 /nfs/dbraw/zinc/52/40/13/411524013.db2.gz NTLDICCXNDZXKC-IUCAKERBSA-N 1 2 241.339 0.941 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000657477755 411526933 /nfs/dbraw/zinc/52/69/33/411526933.db2.gz YXFLJRAZSXGBTR-HOSYDEDBSA-N 1 2 249.314 0.765 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1Cc1cn(C)c[nH+]1 ZINC000660008615 411527220 /nfs/dbraw/zinc/52/72/20/411527220.db2.gz DJBNCPABRJNKHO-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1Cc1cn(C)c[nH+]1 ZINC000660008616 411527693 /nfs/dbraw/zinc/52/76/93/411527693.db2.gz DJBNCPABRJNKHO-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO CC(C)(C)n1nnc(CNCc2[nH]cc[nH+]2)n1 ZINC000655835476 411531373 /nfs/dbraw/zinc/53/13/73/411531373.db2.gz YQCCYCPFAJBDLV-UHFFFAOYSA-N 1 2 235.295 0.441 20 0 BCADLO CCN1CCOC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000368589173 170001447 /nfs/dbraw/zinc/00/14/47/170001447.db2.gz HXGQGDCCRRISBX-LBPRGKRZSA-N 1 2 249.314 0.471 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H]1C ZINC000357469960 170002090 /nfs/dbraw/zinc/00/20/90/170002090.db2.gz DHIWPPDYRSTRQN-HBNTYKKESA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H]1C ZINC000357469960 170002091 /nfs/dbraw/zinc/00/20/91/170002091.db2.gz DHIWPPDYRSTRQN-HBNTYKKESA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCOC1 ZINC000654947995 411466768 /nfs/dbraw/zinc/46/67/68/411466768.db2.gz XHFOSJVLHAFWJZ-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCOC1 ZINC000654947995 411466770 /nfs/dbraw/zinc/46/67/70/411466770.db2.gz XHFOSJVLHAFWJZ-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H](CO)CCF)n1 ZINC000657502517 411538373 /nfs/dbraw/zinc/53/83/73/411538373.db2.gz MANNWVWKCUIDDH-MRVPVSSYSA-N 1 2 245.302 0.238 20 0 BCADLO CCN1CN(Cc2cc(OC)cc[nH+]2)CC1=O ZINC000362243831 170026369 /nfs/dbraw/zinc/02/63/69/170026369.db2.gz FTKBPCVUDWDXEP-UHFFFAOYSA-N 1 2 235.287 0.712 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000336669165 170035422 /nfs/dbraw/zinc/03/54/22/170035422.db2.gz XGSBUMAYMBNEFI-QWRGUYRKSA-N 1 2 200.326 0.689 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000308537447 170035488 /nfs/dbraw/zinc/03/54/88/170035488.db2.gz SXEVONCYGYLIAU-AXFHLTTASA-N 1 2 200.326 0.687 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000660126677 411541257 /nfs/dbraw/zinc/54/12/57/411541257.db2.gz SYFIUBDKVLPALE-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000660126677 411541258 /nfs/dbraw/zinc/54/12/58/411541258.db2.gz SYFIUBDKVLPALE-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC=C(C)CC1 ZINC000660128396 411542487 /nfs/dbraw/zinc/54/24/87/411542487.db2.gz VHATWNNNQQDANA-WDEREUQCSA-N 1 2 245.344 0.450 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC=C(C)CC1 ZINC000660128396 411542489 /nfs/dbraw/zinc/54/24/89/411542489.db2.gz VHATWNNNQQDANA-WDEREUQCSA-N 1 2 245.344 0.450 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)NC(C)(C)C ZINC000042976251 170056710 /nfs/dbraw/zinc/05/67/10/170056710.db2.gz QSSDZZITPBYQRF-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)NC(C)(C)C ZINC000042976251 170056711 /nfs/dbraw/zinc/05/67/11/170056711.db2.gz QSSDZZITPBYQRF-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[NH2+]Cc1ccoc1C(=O)OC ZINC000037262505 170065050 /nfs/dbraw/zinc/06/50/50/170065050.db2.gz NENPMDFPJSLILU-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO CCC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660134738 411543215 /nfs/dbraw/zinc/54/32/15/411543215.db2.gz RVPSJPIOUGCBOQ-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CCC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660134738 411543216 /nfs/dbraw/zinc/54/32/16/411543216.db2.gz RVPSJPIOUGCBOQ-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CCC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000660134738 411543218 /nfs/dbraw/zinc/54/32/18/411543218.db2.gz RVPSJPIOUGCBOQ-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CCC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000660134738 411543219 /nfs/dbraw/zinc/54/32/19/411543219.db2.gz RVPSJPIOUGCBOQ-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)sn1 ZINC000660134828 411543383 /nfs/dbraw/zinc/54/33/83/411543383.db2.gz TYCURUVETQKUAC-QMMMGPOBSA-N 1 2 241.316 0.472 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)sn1 ZINC000660134828 411543385 /nfs/dbraw/zinc/54/33/85/411543385.db2.gz TYCURUVETQKUAC-QMMMGPOBSA-N 1 2 241.316 0.472 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1ncc[nH]1 ZINC000660141448 411544094 /nfs/dbraw/zinc/54/40/94/411544094.db2.gz FQVCFLSWGKMIIW-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1ncc[nH]1 ZINC000660141448 411544096 /nfs/dbraw/zinc/54/40/96/411544096.db2.gz FQVCFLSWGKMIIW-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H](C)C(=O)NC(C)C)n1 ZINC000657496450 411535557 /nfs/dbraw/zinc/53/55/57/411535557.db2.gz PHWUQZDODHLFGD-SECBINFHSA-N 1 2 224.308 0.721 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000275435444 170088509 /nfs/dbraw/zinc/08/85/09/170088509.db2.gz DJOYAFUOPJUPNX-SSDOTTSWSA-N 1 2 244.726 0.688 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000014266128 170090259 /nfs/dbraw/zinc/09/02/59/170090259.db2.gz RBGSKTKTCCIHEM-SSDOTTSWSA-N 1 2 248.290 0.300 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nnc(C)[nH]1)C(C)C ZINC000293399829 170091777 /nfs/dbraw/zinc/09/17/77/170091777.db2.gz XXIOYDIYGNHFIG-JTQLQIEISA-N 1 2 239.323 0.363 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1ncnn1C)C(C)C ZINC000339336134 170091789 /nfs/dbraw/zinc/09/17/89/170091789.db2.gz NBQHPVBBVFIASD-JTQLQIEISA-N 1 2 239.323 0.065 20 0 BCADLO CCNC(=O)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000014266129 170096891 /nfs/dbraw/zinc/09/68/91/170096891.db2.gz RBGSKTKTCCIHEM-ZETCQYMHSA-N 1 2 248.290 0.300 20 0 BCADLO Cn1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)nn1 ZINC000655846362 411537276 /nfs/dbraw/zinc/53/72/76/411537276.db2.gz QBDPRCVPBAHMNV-STQMWFEESA-N 1 2 244.298 0.563 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1csnn1)C(C)C ZINC000354067833 170098732 /nfs/dbraw/zinc/09/87/32/170098732.db2.gz GYQCROCGJAWSSJ-SECBINFHSA-N 1 2 242.348 0.788 20 0 BCADLO COCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660103870 411537655 /nfs/dbraw/zinc/53/76/55/411537655.db2.gz JJDASOBMISBGLT-QMMMGPOBSA-N 1 2 247.320 0.047 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000660222622 411555759 /nfs/dbraw/zinc/55/57/59/411555759.db2.gz WSSUSPVHBBVFSX-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000660222622 411555760 /nfs/dbraw/zinc/55/57/60/411555760.db2.gz WSSUSPVHBBVFSX-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)cn1 ZINC000660145409 411545413 /nfs/dbraw/zinc/54/54/13/411545413.db2.gz RBWDBWXLJUCGON-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cn(C)cn1 ZINC000660145409 411545414 /nfs/dbraw/zinc/54/54/14/411545414.db2.gz RBWDBWXLJUCGON-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000660149217 411546020 /nfs/dbraw/zinc/54/60/20/411546020.db2.gz VPMDHTKOPSSBLV-GFCCVEGCSA-N 1 2 248.330 0.617 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000660149217 411546021 /nfs/dbraw/zinc/54/60/21/411546021.db2.gz VPMDHTKOPSSBLV-GFCCVEGCSA-N 1 2 248.330 0.617 20 0 BCADLO CCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000285829039 170176736 /nfs/dbraw/zinc/17/67/36/170176736.db2.gz ZUKKNFIBLXZDJX-UHFFFAOYSA-N 1 2 240.311 0.528 20 0 BCADLO CCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000285829039 170176739 /nfs/dbraw/zinc/17/67/39/170176739.db2.gz ZUKKNFIBLXZDJX-UHFFFAOYSA-N 1 2 240.311 0.528 20 0 BCADLO CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000285829039 170176740 /nfs/dbraw/zinc/17/67/40/170176740.db2.gz ZUKKNFIBLXZDJX-UHFFFAOYSA-N 1 2 240.311 0.528 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660150921 411547570 /nfs/dbraw/zinc/54/75/70/411547570.db2.gz MXRQQQKTKIMXES-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660150921 411547571 /nfs/dbraw/zinc/54/75/71/411547571.db2.gz MXRQQQKTKIMXES-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO COc1cc(C[N@@H+]2CCSC[C@@H]2CO)on1 ZINC000660158387 411548508 /nfs/dbraw/zinc/54/85/08/411548508.db2.gz XXQHNQPIAYOWBT-QMMMGPOBSA-N 1 2 244.316 0.593 20 0 BCADLO COc1cc(C[N@H+]2CCSC[C@@H]2CO)on1 ZINC000660158387 411548510 /nfs/dbraw/zinc/54/85/10/411548510.db2.gz XXQHNQPIAYOWBT-QMMMGPOBSA-N 1 2 244.316 0.593 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)NC(C)C ZINC000121519128 170187361 /nfs/dbraw/zinc/18/73/61/170187361.db2.gz YITSFMFSZRCGSE-UHFFFAOYSA-N 1 2 244.335 0.832 20 0 BCADLO CCOC(=O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000299592262 170193776 /nfs/dbraw/zinc/19/37/76/170193776.db2.gz LFVCKMHKFUSGBU-UHFFFAOYSA-N 1 2 239.275 0.332 20 0 BCADLO CN1CC(=O)N(CC[N@@H+]2CCC=C(F)C2)C1=O ZINC000660167621 411550230 /nfs/dbraw/zinc/55/02/30/411550230.db2.gz XUXHKSCYGXNFCZ-UHFFFAOYSA-N 1 2 241.266 0.440 20 0 BCADLO CN1CC(=O)N(CC[N@H+]2CCC=C(F)C2)C1=O ZINC000660167621 411550232 /nfs/dbraw/zinc/55/02/32/411550232.db2.gz XUXHKSCYGXNFCZ-UHFFFAOYSA-N 1 2 241.266 0.440 20 0 BCADLO CCOC(=O)CC(=O)Nc1c[nH+]ccc1OC ZINC000170627400 170197247 /nfs/dbraw/zinc/19/72/47/170197247.db2.gz FUKKKYIIUFESSV-UHFFFAOYSA-N 1 2 238.243 0.982 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337430597 170200763 /nfs/dbraw/zinc/20/07/63/170200763.db2.gz YTDVIRGCMHESPJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337430597 170200764 /nfs/dbraw/zinc/20/07/64/170200764.db2.gz YTDVIRGCMHESPJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000376648992 170207482 /nfs/dbraw/zinc/20/74/82/170207482.db2.gz OMMOEBMTXLWGGT-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000376648992 170207483 /nfs/dbraw/zinc/20/74/83/170207483.db2.gz OMMOEBMTXLWGGT-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279277984 170207580 /nfs/dbraw/zinc/20/75/80/170207580.db2.gz XEGCYRIPFORKMF-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCOC(=O)CN(C)Cc1[nH+]ccn1C ZINC000049900019 170215523 /nfs/dbraw/zinc/21/55/23/170215523.db2.gz RPXNTMSMMHCGMV-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCOC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000042429929 170217232 /nfs/dbraw/zinc/21/72/32/170217232.db2.gz DVSFNIJUWCUZSN-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000042429929 170217233 /nfs/dbraw/zinc/21/72/33/170217233.db2.gz DVSFNIJUWCUZSN-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@H+](CCn1cccn1)C1CC1 ZINC000049574186 170217862 /nfs/dbraw/zinc/21/78/62/170217862.db2.gz SRURQFUSMFNRSV-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO CCOC(=O)C[N@@H+](CCn1cccn1)C1CC1 ZINC000049574186 170217864 /nfs/dbraw/zinc/21/78/64/170217864.db2.gz SRURQFUSMFNRSV-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@@H]1CCCO1 ZINC000338921974 170218116 /nfs/dbraw/zinc/21/81/16/170218116.db2.gz VCEBDARXGHSMQF-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@@H]1CCCO1 ZINC000338921974 170218117 /nfs/dbraw/zinc/21/81/17/170218117.db2.gz VCEBDARXGHSMQF-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@H]1CCOC1 ZINC000342118616 170218221 /nfs/dbraw/zinc/21/82/21/170218221.db2.gz BQZPBSZKNMMDGX-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@H]1CCOC1 ZINC000342118616 170218222 /nfs/dbraw/zinc/21/82/22/170218222.db2.gz BQZPBSZKNMMDGX-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)CN1CCc2c([nH+]cn2C)C1 ZINC000364092183 170221766 /nfs/dbraw/zinc/22/17/66/170221766.db2.gz HICDLAOENKQCLV-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO CCOC(=O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000346215871 170222482 /nfs/dbraw/zinc/22/24/82/170222482.db2.gz GQIRIAHYSNAZTM-UHFFFAOYSA-N 1 2 239.275 0.367 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)CS1(=O)=O ZINC000657636533 411567639 /nfs/dbraw/zinc/56/76/39/411567639.db2.gz GZXIJBQBQKFLAX-RKDXNWHRSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068288211 170224770 /nfs/dbraw/zinc/22/47/70/170224770.db2.gz KXDHCFCKYNODOC-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO CCOC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000308620253 170226066 /nfs/dbraw/zinc/22/60/66/170226066.db2.gz SWGMVFFBUZETOB-JTQLQIEISA-N 1 2 203.282 0.546 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000309675730 170226816 /nfs/dbraw/zinc/22/68/16/170226816.db2.gz XRLBHAYDVYFNOW-VIFPVBQESA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)N1CC[NH+](CCOC)CC1 ZINC000053398360 170240091 /nfs/dbraw/zinc/24/00/91/170240091.db2.gz ORDKGPQVKNOHBA-UHFFFAOYSA-N 1 2 216.281 0.407 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccon1 ZINC000354932818 170262279 /nfs/dbraw/zinc/26/22/79/170262279.db2.gz TZOYPSKZLPEOGW-KCJUWKMLSA-N 1 2 242.275 0.639 20 0 BCADLO CCOC(=O)[C@@](C)(O)CNc1cccc[nH+]1 ZINC000336780495 170262741 /nfs/dbraw/zinc/26/27/41/170262741.db2.gz RMTCWTQTGDOSRI-NSHDSACASA-N 1 2 224.260 0.808 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000353505357 170265659 /nfs/dbraw/zinc/26/56/59/170265659.db2.gz CZIWBGZSFYECQK-UEJVZZJDSA-N 1 2 201.266 0.393 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C1CC(O)C1 ZINC000353505357 170265661 /nfs/dbraw/zinc/26/56/61/170265661.db2.gz CZIWBGZSFYECQK-UEJVZZJDSA-N 1 2 201.266 0.393 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000330364570 170266597 /nfs/dbraw/zinc/26/65/97/170266597.db2.gz RKDLJYXVTUYYFV-QMMMGPOBSA-N 1 2 244.291 0.300 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105872399 170268212 /nfs/dbraw/zinc/26/82/12/170268212.db2.gz IFTZIQGOJOAUBA-IUCAKERBSA-N 1 2 238.291 0.134 20 0 BCADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OC ZINC000309671760 170270561 /nfs/dbraw/zinc/27/05/61/170270561.db2.gz WGRGPFPYAJRWDZ-HRDYMLBCSA-N 1 2 231.292 0.725 20 0 BCADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000309671762 170270804 /nfs/dbraw/zinc/27/08/04/170270804.db2.gz WGRGPFPYAJRWDZ-VGMNWLOBSA-N 1 2 231.292 0.725 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587116 170271347 /nfs/dbraw/zinc/27/13/47/170271347.db2.gz KZEQWNXTVVCSGZ-ONGXEEELSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587116 170271350 /nfs/dbraw/zinc/27/13/50/170271350.db2.gz KZEQWNXTVVCSGZ-ONGXEEELSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]Cc2nc(COC)n[nH]2)CO1 ZINC000657608954 411562793 /nfs/dbraw/zinc/56/27/93/411562793.db2.gz GLDVWVDBFCASRQ-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]Cc2nnc(COC)[nH]2)CO1 ZINC000657608954 411562794 /nfs/dbraw/zinc/56/27/94/411562794.db2.gz GLDVWVDBFCASRQ-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)C1=O ZINC000660274040 411562861 /nfs/dbraw/zinc/56/28/61/411562861.db2.gz MDPDUSFUKBGJEP-CBAPKCEASA-N 1 2 224.264 0.223 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1ccon1 ZINC000274664808 170283736 /nfs/dbraw/zinc/28/37/36/170283736.db2.gz QRRQXGVTGZZPPO-LLVKDONJSA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccon1 ZINC000274664808 170283738 /nfs/dbraw/zinc/28/37/38/170283738.db2.gz QRRQXGVTGZZPPO-LLVKDONJSA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000330438018 170284188 /nfs/dbraw/zinc/28/41/88/170284188.db2.gz NLRLZPJSIWLSBE-BXKDBHETSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000330438018 170284191 /nfs/dbraw/zinc/28/41/91/170284191.db2.gz NLRLZPJSIWLSBE-BXKDBHETSA-N 1 2 243.303 0.211 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCc1cnn[nH]1 ZINC000660367412 411572886 /nfs/dbraw/zinc/57/28/86/411572886.db2.gz IEJLWOQVLIKHQF-DOFRTFSJSA-N 1 2 224.308 0.581 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCc1cnn[nH]1 ZINC000660367412 411572887 /nfs/dbraw/zinc/57/28/87/411572887.db2.gz IEJLWOQVLIKHQF-DOFRTFSJSA-N 1 2 224.308 0.581 20 0 BCADLO CCOC1C[NH+](Cc2cnn(C)c2C)C1 ZINC000297375139 170336570 /nfs/dbraw/zinc/33/65/70/170336570.db2.gz HZXMMIFLDALMLJ-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CCOCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000266105939 170344072 /nfs/dbraw/zinc/34/40/72/170344072.db2.gz RJFOHMWBYWOALE-SNVBAGLBSA-N 1 2 225.292 0.672 20 0 BCADLO CCOCC(C)(C)[NH2+]Cc1nnn(C)n1 ZINC000339368850 170355820 /nfs/dbraw/zinc/35/58/20/170355820.db2.gz ZIKORBYLVXIYNI-UHFFFAOYSA-N 1 2 213.285 0.115 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000660322951 411568572 /nfs/dbraw/zinc/56/85/72/411568572.db2.gz OYQTVIAXSKWUQU-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000660322951 411568573 /nfs/dbraw/zinc/56/85/73/411568573.db2.gz OYQTVIAXSKWUQU-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CCOCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000357495005 170386485 /nfs/dbraw/zinc/38/64/85/170386485.db2.gz QYJAZPHVZIUZKF-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660331621 411570192 /nfs/dbraw/zinc/57/01/92/411570192.db2.gz VGWPYANMNHCOES-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660331621 411570194 /nfs/dbraw/zinc/57/01/94/411570194.db2.gz VGWPYANMNHCOES-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)[C@@H](C)N(C)C1=O ZINC000663326653 411625722 /nfs/dbraw/zinc/62/57/22/411625722.db2.gz DGGRUVJXZFBNCN-JGVFFNPUSA-N 1 2 236.275 0.764 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)NC2(CCC2)C1=O ZINC000663328415 411626911 /nfs/dbraw/zinc/62/69/11/411626911.db2.gz QVYTXEMZTCRXKD-QMMMGPOBSA-N 1 2 248.286 0.956 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n[nH]1 ZINC000375421364 411633268 /nfs/dbraw/zinc/63/32/68/411633268.db2.gz GPQXDJKGSDQLTO-ZCFIWIBFSA-N 1 2 230.218 0.654 20 0 BCADLO Cn1[nH]cnc1=NCCc1[nH]c2ccccc2[nH+]1 ZINC000663349396 411634127 /nfs/dbraw/zinc/63/41/27/411634127.db2.gz IQWJUHOCUHWHFY-UHFFFAOYSA-N 1 2 242.286 0.768 20 0 BCADLO Cc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)nc(C)n1 ZINC000660801919 411638295 /nfs/dbraw/zinc/63/82/95/411638295.db2.gz VACHXXJBCUJEOJ-UHFFFAOYSA-N 1 2 248.330 0.804 20 0 BCADLO COC[C@@H](O)CCNc1nc(C)[nH+]cc1C ZINC000565668445 411641311 /nfs/dbraw/zinc/64/13/11/411641311.db2.gz ZVXJXQGSXGNECD-JTQLQIEISA-N 1 2 225.292 0.903 20 0 BCADLO COC[C@@](C)(O)CCNc1cc(C)[nH+]cn1 ZINC000450595103 411644695 /nfs/dbraw/zinc/64/46/95/411644695.db2.gz QKHKHQSMPGNVAM-NSHDSACASA-N 1 2 225.292 0.984 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000660387910 411577420 /nfs/dbraw/zinc/57/74/20/411577420.db2.gz NORJHSUPNVYONQ-UHFFFAOYSA-N 1 2 204.237 0.086 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000660387910 411577421 /nfs/dbraw/zinc/57/74/21/411577421.db2.gz NORJHSUPNVYONQ-UHFFFAOYSA-N 1 2 204.237 0.086 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](CO)O1 ZINC000660387281 411577646 /nfs/dbraw/zinc/57/76/46/411577646.db2.gz ALSBZHJJELFHAF-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)co1 ZINC000660396122 411579041 /nfs/dbraw/zinc/57/90/41/411579041.db2.gz NNPGXLROWCITEX-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)co1 ZINC000660396122 411579042 /nfs/dbraw/zinc/57/90/42/411579042.db2.gz NNPGXLROWCITEX-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660449791 411586616 /nfs/dbraw/zinc/58/66/16/411586616.db2.gz ZVRXFBSLJWIGSG-YUMQZZPRSA-N 1 2 244.316 0.910 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1cnccn1 ZINC000660447764 411586788 /nfs/dbraw/zinc/58/67/88/411586788.db2.gz PXRCNBQNEYYXAM-RKDXNWHRSA-N 1 2 220.276 0.898 20 0 BCADLO Cn1c[nH+]c(CN(CCO)CC(F)F)c1 ZINC000660452306 411587297 /nfs/dbraw/zinc/58/72/97/411587297.db2.gz RPZJKTJTKKARNF-UHFFFAOYSA-N 1 2 219.235 0.480 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(C)o1 ZINC000660475571 411590234 /nfs/dbraw/zinc/59/02/34/411590234.db2.gz BRGZROFHHLQVPZ-HQJQHLMTSA-N 1 2 237.303 0.906 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000660471196 411590363 /nfs/dbraw/zinc/59/03/63/411590363.db2.gz ZXHMYISWHDYYTN-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000660471196 411590364 /nfs/dbraw/zinc/59/03/64/411590364.db2.gz ZXHMYISWHDYYTN-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CON(CC)C2=O)CCCO1 ZINC000660469005 411590548 /nfs/dbraw/zinc/59/05/48/411590548.db2.gz MLWWBPPLCBWGGY-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CON(CC)C2=O)CCCO1 ZINC000660469005 411590549 /nfs/dbraw/zinc/59/05/49/411590549.db2.gz MLWWBPPLCBWGGY-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(C)o1 ZINC000660475573 411590785 /nfs/dbraw/zinc/59/07/85/411590785.db2.gz BRGZROFHHLQVPZ-WRWORJQWSA-N 1 2 237.303 0.906 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)CCOCCO)[nH]1 ZINC000660488014 411593085 /nfs/dbraw/zinc/59/30/85/411593085.db2.gz YBLAZCZYSFRVEP-VIFPVBQESA-N 1 2 242.323 0.369 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)CCOCCO)[nH]1 ZINC000660488014 411593087 /nfs/dbraw/zinc/59/30/87/411593087.db2.gz YBLAZCZYSFRVEP-VIFPVBQESA-N 1 2 242.323 0.369 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CCc2c[nH]nn2)n1 ZINC000660548009 411598415 /nfs/dbraw/zinc/59/84/15/411598415.db2.gz HPKQJNFJTBYCCI-SNVBAGLBSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CCc2c[nH]nn2)n1 ZINC000660548009 411598417 /nfs/dbraw/zinc/59/84/17/411598417.db2.gz HPKQJNFJTBYCCI-SNVBAGLBSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CCc2cn[nH]n2)n1 ZINC000660548009 411598419 /nfs/dbraw/zinc/59/84/19/411598419.db2.gz HPKQJNFJTBYCCI-SNVBAGLBSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CCc2cn[nH]n2)n1 ZINC000660548009 411598421 /nfs/dbraw/zinc/59/84/21/411598421.db2.gz HPKQJNFJTBYCCI-SNVBAGLBSA-N 1 2 248.290 0.876 20 0 BCADLO CCN1OC[C@H]([N@H+](C)C[C@H](C)OC)C1=O ZINC000660552015 411598632 /nfs/dbraw/zinc/59/86/32/411598632.db2.gz OYNSKHDWVHWWBU-IUCAKERBSA-N 1 2 216.281 0.115 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)C[C@H](C)OC)C1=O ZINC000660552015 411598633 /nfs/dbraw/zinc/59/86/33/411598633.db2.gz OYNSKHDWVHWWBU-IUCAKERBSA-N 1 2 216.281 0.115 20 0 BCADLO Cc1noc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660580931 411603411 /nfs/dbraw/zinc/60/34/11/411603411.db2.gz XDRISDXQHAHMND-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO COc1nccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660583038 411603863 /nfs/dbraw/zinc/60/38/63/411603863.db2.gz FERYKCRUFVWIQA-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COCC[C@@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660596699 411605400 /nfs/dbraw/zinc/60/54/00/411605400.db2.gz NZXBEFPGGSDDFI-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@@H]1C[N@H+](Cc2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000660639236 411610242 /nfs/dbraw/zinc/61/02/42/411610242.db2.gz HNRUDMTYTZBFIQ-SFYZADRCSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000660639236 411610244 /nfs/dbraw/zinc/61/02/44/411610244.db2.gz HNRUDMTYTZBFIQ-SFYZADRCSA-N 1 2 244.316 0.767 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000660639732 411611387 /nfs/dbraw/zinc/61/13/87/411611387.db2.gz JZEGTFFAJNPUFH-XFWSIPNHSA-N 1 2 233.333 0.139 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H](C)[C@@H]1C ZINC000660639732 411611389 /nfs/dbraw/zinc/61/13/89/411611389.db2.gz JZEGTFFAJNPUFH-XFWSIPNHSA-N 1 2 233.333 0.139 20 0 BCADLO C[N@H+](Cc1cncs1)C(C)(C)C(N)=O ZINC000660648658 411612457 /nfs/dbraw/zinc/61/24/57/411612457.db2.gz VTGDQYKOBCWCFW-UHFFFAOYSA-N 1 2 213.306 0.839 20 0 BCADLO C[N@@H+](Cc1cncs1)C(C)(C)C(N)=O ZINC000660648658 411612458 /nfs/dbraw/zinc/61/24/58/411612458.db2.gz VTGDQYKOBCWCFW-UHFFFAOYSA-N 1 2 213.306 0.839 20 0 BCADLO CC[C@H](COC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660715637 411618505 /nfs/dbraw/zinc/61/85/05/411618505.db2.gz ODQXIKXWMDNCII-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@H](COC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660715637 411618506 /nfs/dbraw/zinc/61/85/06/411618506.db2.gz ODQXIKXWMDNCII-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728415 411619668 /nfs/dbraw/zinc/61/96/68/411619668.db2.gz SFYNETBNRUGBPL-MRVPVSSYSA-N 1 2 205.323 0.904 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)[nH]1 ZINC000660737222 411620078 /nfs/dbraw/zinc/62/00/78/411620078.db2.gz VEADBRJWDWHQGO-IWSPIJDZSA-N 1 2 240.307 0.120 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)[nH]1 ZINC000660737222 411620079 /nfs/dbraw/zinc/62/00/79/411620079.db2.gz VEADBRJWDWHQGO-IWSPIJDZSA-N 1 2 240.307 0.120 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC000660759544 411621824 /nfs/dbraw/zinc/62/18/24/411621824.db2.gz DBOHIUNIYLIGSK-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC000660759544 411621827 /nfs/dbraw/zinc/62/18/27/411621827.db2.gz DBOHIUNIYLIGSK-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO Cc1ccc(-n2c[nH+]c(CCCO)c2)nn1 ZINC000663571381 411704152 /nfs/dbraw/zinc/70/41/52/411704152.db2.gz AOFARWIJTZNOGW-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO OCCCc1cn(-c2cnccn2)c[nH+]1 ZINC000663571971 411704345 /nfs/dbraw/zinc/70/43/45/411704345.db2.gz QVYPLDIMYFTRPH-UHFFFAOYSA-N 1 2 204.233 0.587 20 0 BCADLO CCOCc1nnc(NCc2c[nH+]cn2C)o1 ZINC000347883196 411710864 /nfs/dbraw/zinc/71/08/64/411710864.db2.gz CGXLGVHVTJHVRW-UHFFFAOYSA-N 1 2 237.263 0.952 20 0 BCADLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)ncn1 ZINC000599885034 411648067 /nfs/dbraw/zinc/64/80/67/411648067.db2.gz UNNHMELELCFMPB-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)ncn1 ZINC000599885034 411648072 /nfs/dbraw/zinc/64/80/72/411648072.db2.gz UNNHMELELCFMPB-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO C[C@H](NC(=O)NCc1cc[nH]n1)c1[nH+]ccn1C ZINC000660829622 411649205 /nfs/dbraw/zinc/64/92/05/411649205.db2.gz SESZHTJOLLFKKO-QMMMGPOBSA-N 1 2 248.290 0.704 20 0 BCADLO Cc1cc(NC[C@@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000413333931 411649361 /nfs/dbraw/zinc/64/93/61/411649361.db2.gz DQYBOUNVNVLVKA-LLVKDONJSA-N 1 2 220.276 0.866 20 0 BCADLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)ncn1 ZINC000624619675 411649475 /nfs/dbraw/zinc/64/94/75/411649475.db2.gz IHZCHPOIQHUSIC-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)ncn1 ZINC000624619675 411649482 /nfs/dbraw/zinc/64/94/82/411649482.db2.gz IHZCHPOIQHUSIC-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cc(NCCn2ncnn2)nc(C(C)C)[nH+]1 ZINC000380098758 411649665 /nfs/dbraw/zinc/64/96/65/411649665.db2.gz WUXWYVNOOKRQSX-UHFFFAOYSA-N 1 2 247.306 1.007 20 0 BCADLO Cc1cc(NC[C@H](C)c2nncn2C)nc[nH+]1 ZINC000354473438 411650193 /nfs/dbraw/zinc/65/01/93/411650193.db2.gz WNUSCPOIYBWJSW-QMMMGPOBSA-N 1 2 232.291 1.129 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000660833805 411650564 /nfs/dbraw/zinc/65/05/64/411650564.db2.gz QSFJGNCWMVJSRS-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000660833805 411650569 /nfs/dbraw/zinc/65/05/69/411650569.db2.gz QSFJGNCWMVJSRS-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO O[C@H]1CC[N@H+](CCc2cnn[nH]2)C2(CCC2)C1 ZINC000660836070 411650593 /nfs/dbraw/zinc/65/05/93/411650593.db2.gz QCRWVAXMXVFCJK-NSHDSACASA-N 1 2 236.319 0.727 20 0 BCADLO O[C@H]1CC[N@@H+](CCc2cnn[nH]2)C2(CCC2)C1 ZINC000660836070 411650595 /nfs/dbraw/zinc/65/05/95/411650595.db2.gz QCRWVAXMXVFCJK-NSHDSACASA-N 1 2 236.319 0.727 20 0 BCADLO CN(Cc1n[nH]c(=O)o1)Cc1[nH+]ccn1C ZINC000660842741 411652703 /nfs/dbraw/zinc/65/27/03/411652703.db2.gz QPUJNOSGXDUJRZ-UHFFFAOYSA-N 1 2 223.236 0.141 20 0 BCADLO C[N@H+](CCCCF)Cc1n[nH]c(=O)o1 ZINC000660842765 411653061 /nfs/dbraw/zinc/65/30/61/411653061.db2.gz QYZPBRWYHRUSDG-UHFFFAOYSA-N 1 2 203.217 0.957 20 0 BCADLO C[N@@H+](CCCCF)Cc1n[nH]c(=O)o1 ZINC000660842765 411653063 /nfs/dbraw/zinc/65/30/63/411653063.db2.gz QYZPBRWYHRUSDG-UHFFFAOYSA-N 1 2 203.217 0.957 20 0 BCADLO COC[C@H](O)CCNc1nc(C)[nH+]cc1C ZINC000565668446 411653270 /nfs/dbraw/zinc/65/32/70/411653270.db2.gz ZVXJXQGSXGNECD-SNVBAGLBSA-N 1 2 225.292 0.903 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844050 411653357 /nfs/dbraw/zinc/65/33/57/411653357.db2.gz FWMMUJBNJWDBCP-ZETCQYMHSA-N 1 2 235.247 0.758 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844050 411653361 /nfs/dbraw/zinc/65/33/61/411653361.db2.gz FWMMUJBNJWDBCP-ZETCQYMHSA-N 1 2 235.247 0.758 20 0 BCADLO Cc1cc(NCc2ccnc(N(C)C)n2)nc[nH+]1 ZINC000342818044 411655239 /nfs/dbraw/zinc/65/52/39/411655239.db2.gz TVIUOQYZYSUIFB-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BCADLO CCc1nnc([C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)[nH]1 ZINC000660900314 411665136 /nfs/dbraw/zinc/66/51/36/411665136.db2.gz GUHKYRJVTZBTCI-IWSPIJDZSA-N 1 2 240.307 0.432 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912823 411668266 /nfs/dbraw/zinc/66/82/66/411668266.db2.gz NJZDNIHNSGLMEK-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912823 411668270 /nfs/dbraw/zinc/66/82/70/411668270.db2.gz NJZDNIHNSGLMEK-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO O=C1CCc2ccc(NCCn3cc[nH+]c3)nc21 ZINC000641277595 411671036 /nfs/dbraw/zinc/67/10/36/411671036.db2.gz KGDRPMFASCLELK-UHFFFAOYSA-N 1 2 242.282 1.519 20 0 BCADLO CO[C@@H]1COCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000450696657 411672209 /nfs/dbraw/zinc/67/22/09/411672209.db2.gz TWCLDXUCMFNZJP-GHMZBOCLSA-N 1 2 237.303 1.248 20 0 BCADLO CO[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000359238872 411673375 /nfs/dbraw/zinc/67/33/75/411673375.db2.gz HJTJHSLRDYQCLQ-CYBMUJFWSA-N 1 2 249.314 1.571 20 0 BCADLO OC[C@H]1CCCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660923753 411674136 /nfs/dbraw/zinc/67/41/36/411674136.db2.gz QYLWEXUEJIKSNE-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO OC[C@H]1CCCCC[N@H+]1CCc1cnn[nH]1 ZINC000660923753 411674140 /nfs/dbraw/zinc/67/41/40/411674140.db2.gz QYLWEXUEJIKSNE-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO COc1c(C)[nH+]cnc1NCCSC ZINC000594539450 411679063 /nfs/dbraw/zinc/67/90/63/411679063.db2.gz QRCVXETXLIJVHM-UHFFFAOYSA-N 1 2 213.306 1.569 20 0 BCADLO C[C@H](NC(=O)N[C@H]1CCOC1)c1[nH+]ccn1C ZINC000660945734 411685553 /nfs/dbraw/zinc/68/55/53/411685553.db2.gz NCCXFUWDCUYZKT-IUCAKERBSA-N 1 2 238.291 0.569 20 0 BCADLO OCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000376819263 411688515 /nfs/dbraw/zinc/68/85/15/411688515.db2.gz QHKPGBMNCMZFAW-UHFFFAOYSA-N 1 2 218.260 1.062 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689573 /nfs/dbraw/zinc/68/95/73/411689573.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO c1[nH]nnc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689577 /nfs/dbraw/zinc/68/95/77/411689577.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689581 /nfs/dbraw/zinc/68/95/81/411689581.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689584 /nfs/dbraw/zinc/68/95/84/411689584.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689587 /nfs/dbraw/zinc/68/95/87/411689587.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689590 /nfs/dbraw/zinc/68/95/90/411689590.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 1 2 222.292 0.807 20 0 BCADLO CCCCn1nnnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661083494 411697527 /nfs/dbraw/zinc/69/75/27/411697527.db2.gz DHWLBBBMZWPERL-UHFFFAOYSA-N 1 2 249.322 0.828 20 0 BCADLO CCCCn1nnnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661083494 411697532 /nfs/dbraw/zinc/69/75/32/411697532.db2.gz DHWLBBBMZWPERL-UHFFFAOYSA-N 1 2 249.322 0.828 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)Cn1cccn1 ZINC000661087637 411698800 /nfs/dbraw/zinc/69/88/00/411698800.db2.gz WLOIYDLUOYYWHY-NSHDSACASA-N 1 2 235.291 0.099 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)Cn1cccn1 ZINC000661087637 411698802 /nfs/dbraw/zinc/69/88/02/411698802.db2.gz WLOIYDLUOYYWHY-NSHDSACASA-N 1 2 235.291 0.099 20 0 BCADLO C[C@@H](c1nnnn1C)N(C)Cc1c[nH+]c[nH]1 ZINC000661090818 411702600 /nfs/dbraw/zinc/70/26/00/411702600.db2.gz SKXYUSQBYZZRBN-ZETCQYMHSA-N 1 2 221.268 0.126 20 0 BCADLO C[C@@H](c1nnnn1C)N(C)Cc1c[nH]c[nH+]1 ZINC000661090818 411702603 /nfs/dbraw/zinc/70/26/03/411702603.db2.gz SKXYUSQBYZZRBN-ZETCQYMHSA-N 1 2 221.268 0.126 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1COCCO1 ZINC000661089681 411702893 /nfs/dbraw/zinc/70/28/93/411702893.db2.gz FNEPUXFZGWIPTL-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1COCCO1 ZINC000661089681 411702896 /nfs/dbraw/zinc/70/28/96/411702896.db2.gz FNEPUXFZGWIPTL-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1COCCO1 ZINC000661089681 411702899 /nfs/dbraw/zinc/70/28/99/411702899.db2.gz FNEPUXFZGWIPTL-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1COCCO1 ZINC000661089681 411702900 /nfs/dbraw/zinc/70/29/00/411702900.db2.gz FNEPUXFZGWIPTL-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO CC[C@@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000390275309 411729253 /nfs/dbraw/zinc/72/92/53/411729253.db2.gz SVKXAENGCSWPHB-ZETCQYMHSA-N 1 2 226.280 0.904 20 0 BCADLO CC[C@@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000390275309 411729259 /nfs/dbraw/zinc/72/92/59/411729259.db2.gz SVKXAENGCSWPHB-ZETCQYMHSA-N 1 2 226.280 0.904 20 0 BCADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(=O)NC ZINC000450947226 411730978 /nfs/dbraw/zinc/73/09/78/411730978.db2.gz YGSOGTAUEMYULU-SECBINFHSA-N 1 2 234.303 1.291 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)C(F)F ZINC000565230388 411734296 /nfs/dbraw/zinc/73/42/96/411734296.db2.gz RRIAARQPMJCZMN-SSDOTTSWSA-N 1 2 217.219 1.131 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@]1(C)CCC(=O)N1 ZINC000583274199 411734549 /nfs/dbraw/zinc/73/45/49/411734549.db2.gz QYAQZOCINYCIFU-LBPRGKRZSA-N 1 2 234.303 1.174 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](O)C(C)C ZINC000583704036 411735283 /nfs/dbraw/zinc/73/52/83/411735283.db2.gz SNAKUJKPKLMNMX-JTQLQIEISA-N 1 2 209.293 1.522 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1(C(N)=O)CCCC1 ZINC000581559240 411735302 /nfs/dbraw/zinc/73/53/02/411735302.db2.gz RLLVREDISXLURE-UHFFFAOYSA-N 1 2 248.330 1.551 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)[C@H]1CCOC1 ZINC000567521288 411735829 /nfs/dbraw/zinc/73/58/29/411735829.db2.gz XXGNVNGNRWCDNX-WDEREUQCSA-N 1 2 237.303 0.903 20 0 BCADLO Cc1cnc(CCNc2cc[nH+]c(C)n2)cn1 ZINC000413347663 411739056 /nfs/dbraw/zinc/73/90/56/411739056.db2.gz LUSPTHQVCIFNEF-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO CC[C@@H]1C[N@H+](CCNc2cnccn2)CCO1 ZINC000362678486 411739375 /nfs/dbraw/zinc/73/93/75/411739375.db2.gz BTEMTYXHVPTQHT-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNc2cnccn2)CCO1 ZINC000362678486 411739381 /nfs/dbraw/zinc/73/93/81/411739381.db2.gz BTEMTYXHVPTQHT-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO Cn1[nH]cnc1=NCCCCn1cc[nH+]c1 ZINC000663771702 411743826 /nfs/dbraw/zinc/74/38/26/411743826.db2.gz PMZDHJAVXZTOBZ-UHFFFAOYSA-N 1 2 220.280 0.326 20 0 BCADLO Cc1cn2ccc(C(=O)N(C)CCO)cc2[nH+]1 ZINC000071552009 411746407 /nfs/dbraw/zinc/74/64/07/411746407.db2.gz DAOHSUNLOQXDRD-UHFFFAOYSA-N 1 2 233.271 0.707 20 0 BCADLO CC[C@H](O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000490078603 411752901 /nfs/dbraw/zinc/75/29/01/411752901.db2.gz VQCPJXVPYZIZFA-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@H](O)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000490078603 411752903 /nfs/dbraw/zinc/75/29/03/411752903.db2.gz VQCPJXVPYZIZFA-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@H](C)O ZINC000450786422 411752943 /nfs/dbraw/zinc/75/29/43/411752943.db2.gz AJVRYYWXULESSN-CBAPKCEASA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@H](C)O ZINC000450786422 411752948 /nfs/dbraw/zinc/75/29/48/411752948.db2.gz AJVRYYWXULESSN-CBAPKCEASA-N 1 2 239.323 0.817 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)NC2(CCC2)C1=O ZINC000663963342 411792619 /nfs/dbraw/zinc/79/26/19/411792619.db2.gz ODGVTELZCRRVNX-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H](O)C(F)F)[nH+]1 ZINC000490082503 411765411 /nfs/dbraw/zinc/76/54/11/411765411.db2.gz VNWJSWRPSJIZSD-ZCFIWIBFSA-N 1 2 247.249 0.284 20 0 BCADLO Cc1nc(NC[C@@H](O)C(F)F)nc(N(C)C)[nH+]1 ZINC000490082503 411765414 /nfs/dbraw/zinc/76/54/14/411765414.db2.gz VNWJSWRPSJIZSD-ZCFIWIBFSA-N 1 2 247.249 0.284 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2ccon2)C1 ZINC000661389679 411765850 /nfs/dbraw/zinc/76/58/50/411765850.db2.gz NADWCEWQEDZYTA-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ccon2)C1 ZINC000661389679 411765854 /nfs/dbraw/zinc/76/58/54/411765854.db2.gz NADWCEWQEDZYTA-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO CCc1cc(NCc2n[nH]c(=O)n2C)nc[nH+]1 ZINC000631348975 411767666 /nfs/dbraw/zinc/76/76/66/411767666.db2.gz YTBRSSYGHZBXPC-UHFFFAOYSA-N 1 2 234.263 0.485 20 0 BCADLO CCc1cc(NC[C@@H](O)[C@@H]2CCCO2)nc[nH+]1 ZINC000624513568 411768126 /nfs/dbraw/zinc/76/81/26/411768126.db2.gz BPFAGNLLOUUXMW-MNOVXSKESA-N 1 2 237.303 0.991 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2cc[nH]n2)[nH+]1 ZINC000532626761 411768258 /nfs/dbraw/zinc/76/82/58/411768258.db2.gz ULBSQYXYCSMSSD-UHFFFAOYSA-N 1 2 233.279 0.581 20 0 BCADLO Cc1nc(NCc2cc[nH]n2)nc(N(C)C)[nH+]1 ZINC000532626761 411768262 /nfs/dbraw/zinc/76/82/62/411768262.db2.gz ULBSQYXYCSMSSD-UHFFFAOYSA-N 1 2 233.279 0.581 20 0 BCADLO COCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402068 411768732 /nfs/dbraw/zinc/76/87/32/411768732.db2.gz ZXXGRSIQFYKCKJ-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402068 411768735 /nfs/dbraw/zinc/76/87/35/411768735.db2.gz ZXXGRSIQFYKCKJ-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO O[C@@H]1CCN(Cc2[nH]cc[nH+]2)CC1(F)F ZINC000661402112 411768936 /nfs/dbraw/zinc/76/89/36/411768936.db2.gz TUXLODLXPIEYGU-SSDOTTSWSA-N 1 2 217.219 0.612 20 0 BCADLO CCc1cc(NC[C@@H]2CCN(C(N)=O)C2)nc[nH+]1 ZINC000663904359 411770422 /nfs/dbraw/zinc/77/04/22/411770422.db2.gz BVGOUNVBKXFDIH-VIFPVBQESA-N 1 2 249.318 0.852 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C(C)C)nn1C ZINC000567687194 411774707 /nfs/dbraw/zinc/77/47/07/411774707.db2.gz UKLWVNUPUSCUJX-UHFFFAOYSA-N 1 2 234.307 1.513 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2cncn2)[nH+]1 ZINC000433770598 411777279 /nfs/dbraw/zinc/77/72/79/411777279.db2.gz HCHGDBRGCSCFQC-UHFFFAOYSA-N 1 2 243.274 0.970 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@H]2COCCO2)[nH+]1 ZINC000433773002 411777879 /nfs/dbraw/zinc/77/78/79/411777879.db2.gz CYPSPTFRJBYHLT-SECBINFHSA-N 1 2 248.286 1.094 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443155 411778694 /nfs/dbraw/zinc/77/86/94/411778694.db2.gz LYZWJDMRDFZBQR-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443155 411778696 /nfs/dbraw/zinc/77/86/96/411778696.db2.gz LYZWJDMRDFZBQR-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2cccn2)[nH+]1 ZINC000433775857 411779006 /nfs/dbraw/zinc/77/90/06/411779006.db2.gz WASXLLAMEMDWJT-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BCADLO Cc1ncc(CNc2nc(N(C)C)nc(C)[nH+]2)o1 ZINC000574020144 411782605 /nfs/dbraw/zinc/78/26/05/411782605.db2.gz LSNYDHMETWDVLU-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BCADLO Cc1ncc(CNc2nc(C)[nH+]c(N(C)C)n2)o1 ZINC000574020144 411782608 /nfs/dbraw/zinc/78/26/08/411782608.db2.gz LSNYDHMETWDVLU-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)[C@@H]2CCCN2C1=O ZINC000663939757 411783155 /nfs/dbraw/zinc/78/31/55/411783155.db2.gz QMSHTYPMAOZGET-VIFPVBQESA-N 1 2 246.270 0.590 20 0 BCADLO Cc1nc(NCc2cccc(C(N)=O)c2)cc[nH+]1 ZINC000348457594 411786145 /nfs/dbraw/zinc/78/61/45/411786145.db2.gz RLKOYSODCCOBCV-UHFFFAOYSA-N 1 2 242.282 1.496 20 0 BCADLO CCc1nnc(CNc2cc(C)[nH+]cn2)[nH]1 ZINC000392560861 411786723 /nfs/dbraw/zinc/78/67/23/411786723.db2.gz MHGOJELZVRPIDK-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BCADLO Cc1nc(N[C@@H](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000450846594 411787177 /nfs/dbraw/zinc/78/71/77/411787177.db2.gz UERYOHXQVJQDQR-VIFPVBQESA-N 1 2 231.303 1.562 20 0 BCADLO Nc1cccc2c1cc[nH+]c2N1C[C@@H](O)[C@@H](O)C1 ZINC000663680459 411721194 /nfs/dbraw/zinc/72/11/94/411721194.db2.gz QXZBUZUQUREEGD-TXEJJXNPSA-N 1 2 245.282 0.359 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNc1nc[nH+]c(N)c1OC ZINC000571179186 411721532 /nfs/dbraw/zinc/72/15/32/411721532.db2.gz WVRMINVHCHGZDA-SFYZADRCSA-N 1 2 240.307 0.886 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]cnc(N)c1OC ZINC000571179186 411721533 /nfs/dbraw/zinc/72/15/33/411721533.db2.gz WVRMINVHCHGZDA-SFYZADRCSA-N 1 2 240.307 0.886 20 0 BCADLO Cc1nc(C[NH2+][C@@H](CO)C2CCC2)no1 ZINC000661157445 411723031 /nfs/dbraw/zinc/72/30/31/411723031.db2.gz ZNPJXRWAFMEULD-VIFPVBQESA-N 1 2 211.265 0.629 20 0 BCADLO COc1cc[nH+]c(CN(C)Cc2cn(C)nn2)c1 ZINC000661747144 411864017 /nfs/dbraw/zinc/86/40/17/411864017.db2.gz MAOHAXUEOZYOKW-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746251 411864438 /nfs/dbraw/zinc/86/44/38/411864438.db2.gz YBRVEXQDBSAGCQ-NSHDSACASA-N 1 2 242.323 0.034 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746251 411864441 /nfs/dbraw/zinc/86/44/41/411864441.db2.gz YBRVEXQDBSAGCQ-NSHDSACASA-N 1 2 242.323 0.034 20 0 BCADLO Cc1nc(N[C@H]2CCNC2=O)c2c([nH+]1)CCCC2 ZINC000664132952 411864426 /nfs/dbraw/zinc/86/44/26/411864426.db2.gz CCTRIURDSRBTMU-NSHDSACASA-N 1 2 246.314 0.964 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCOC[C@@H]2C)s1 ZINC000336722163 411796365 /nfs/dbraw/zinc/79/63/65/411796365.db2.gz APBCONWDUOEQBP-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCOC[C@@H]2C)s1 ZINC000336722163 411796372 /nfs/dbraw/zinc/79/63/72/411796372.db2.gz APBCONWDUOEQBP-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nnc(NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000339970476 411796418 /nfs/dbraw/zinc/79/64/18/411796418.db2.gz VWKKVNHJWTVIBM-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@H+]2C)s1 ZINC000624620119 411796869 /nfs/dbraw/zinc/79/68/69/411796869.db2.gz VLIVTHAMQLEXGV-MRVPVSSYSA-N 1 2 228.321 0.589 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@@H+]2C)s1 ZINC000624620119 411796873 /nfs/dbraw/zinc/79/68/73/411796873.db2.gz VLIVTHAMQLEXGV-MRVPVSSYSA-N 1 2 228.321 0.589 20 0 BCADLO Cc1nnc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)o1 ZINC000342015449 411799946 /nfs/dbraw/zinc/79/99/46/411799946.db2.gz VOBMTDNGHWQJSY-BDAKNGLRSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@H+]2C)o1 ZINC000624620969 411800419 /nfs/dbraw/zinc/80/04/19/411800419.db2.gz QMGSKZPRYUSKGJ-QMMMGPOBSA-N 1 2 212.253 0.121 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@@H+]2C)o1 ZINC000624620969 411800422 /nfs/dbraw/zinc/80/04/22/411800422.db2.gz QMGSKZPRYUSKGJ-QMMMGPOBSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1C(=O)N(CCc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000663985789 411802272 /nfs/dbraw/zinc/80/22/72/411802272.db2.gz ZSQPEVLVQSKMAL-IUCAKERBSA-N 1 2 235.287 0.604 20 0 BCADLO CC[C@H]1NC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663985365 411802618 /nfs/dbraw/zinc/80/26/18/411802618.db2.gz HIJCFCOTLHAJMA-SECBINFHSA-N 1 2 236.275 0.293 20 0 BCADLO C[C@H]1CC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663987004 411803940 /nfs/dbraw/zinc/80/39/40/411803940.db2.gz PGZYZGAGDXKLML-QMMMGPOBSA-N 1 2 221.260 0.358 20 0 BCADLO CCn1cc[nH+]c1CNc1nccn(C)c1=O ZINC000395442727 411812706 /nfs/dbraw/zinc/81/27/06/411812706.db2.gz KZXVGUALHUBDLM-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO CCn1cc[nH+]c1CNc1nccn2nnnc12 ZINC000621322716 411813352 /nfs/dbraw/zinc/81/33/52/411813352.db2.gz FHRJNVRZKRFAMN-UHFFFAOYSA-N 1 2 244.262 0.348 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H]2COCCO2)no1 ZINC000661605911 411813883 /nfs/dbraw/zinc/81/38/83/411813883.db2.gz MCMSBMKEGIQUEK-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H]2COCCO2)no1 ZINC000661605911 411813886 /nfs/dbraw/zinc/81/38/86/411813886.db2.gz MCMSBMKEGIQUEK-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO CCn1c[nH+]cc1CNc1nc2ccccn2n1 ZINC000584579318 411814826 /nfs/dbraw/zinc/81/48/26/411814826.db2.gz CUDGSWNNBWNYFN-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H]2COCCO2)co1 ZINC000661613313 411816173 /nfs/dbraw/zinc/81/61/73/411816173.db2.gz IMGUNQWGOUDLKK-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H]2COCCO2)co1 ZINC000661613313 411816174 /nfs/dbraw/zinc/81/61/74/411816174.db2.gz IMGUNQWGOUDLKK-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661613265 411816249 /nfs/dbraw/zinc/81/62/49/411816249.db2.gz HSYIFHUXXBJRDT-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661613265 411816250 /nfs/dbraw/zinc/81/62/50/411816250.db2.gz HSYIFHUXXBJRDT-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO CNC(=O)NCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000664022192 411816735 /nfs/dbraw/zinc/81/67/35/411816735.db2.gz NBCUGMBTOMEVOR-UHFFFAOYSA-N 1 2 248.290 0.607 20 0 BCADLO Cn1ccc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000661613601 411818028 /nfs/dbraw/zinc/81/80/28/411818028.db2.gz ZJMJZCRXGMXTCL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO Cn1ccc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000661613601 411818032 /nfs/dbraw/zinc/81/80/32/411818032.db2.gz ZJMJZCRXGMXTCL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000664028404 411819279 /nfs/dbraw/zinc/81/92/79/411819279.db2.gz PORUEVMPEYLOGR-JTQLQIEISA-N 1 2 220.276 0.500 20 0 BCADLO C[C@@H](CNc1nncs1)C[NH+]1CCOCC1 ZINC000450346027 411819455 /nfs/dbraw/zinc/81/94/55/411819455.db2.gz MKZRQPFCWJFILX-VIFPVBQESA-N 1 2 242.348 0.918 20 0 BCADLO C[C@@H](CNc1nccn(C)c1=O)Cn1cc[nH+]c1 ZINC000360967056 411820102 /nfs/dbraw/zinc/82/01/02/411820102.db2.gz USKPAOAMZXVWBZ-JTQLQIEISA-N 1 2 247.302 0.725 20 0 BCADLO Cc1nc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)no1 ZINC000661621726 411821045 /nfs/dbraw/zinc/82/10/45/411821045.db2.gz DIQGUUXMHDGJGU-HTQZYQBOSA-N 1 2 225.292 0.827 20 0 BCADLO CCn1ncnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000360106759 411825529 /nfs/dbraw/zinc/82/55/29/411825529.db2.gz FFZAPDFOQULVEK-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BCADLO O[C@]1(C2CC2)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661633595 411826580 /nfs/dbraw/zinc/82/65/80/411826580.db2.gz VZZRQCMIAPWIFQ-GFCCVEGCSA-N 1 2 236.319 0.584 20 0 BCADLO O[C@]1(C2CC2)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661633595 411826584 /nfs/dbraw/zinc/82/65/84/411826584.db2.gz VZZRQCMIAPWIFQ-GFCCVEGCSA-N 1 2 236.319 0.584 20 0 BCADLO Nc1[nH+]cccc1COCCc1cn[nH]n1 ZINC000664047224 411826776 /nfs/dbraw/zinc/82/67/76/411826776.db2.gz ZHTPMWGIASHURJ-UHFFFAOYSA-N 1 2 219.248 0.541 20 0 BCADLO C[C@@H](O)CNc1cc(NCCCCF)[nH+]cn1 ZINC000413315253 411831737 /nfs/dbraw/zinc/83/17/37/411831737.db2.gz VIBMVKOKFSAUHS-SECBINFHSA-N 1 2 242.298 1.431 20 0 BCADLO C[C@@H](O)CNc1cc(NCCCCF)nc[nH+]1 ZINC000413315253 411831741 /nfs/dbraw/zinc/83/17/41/411831741.db2.gz VIBMVKOKFSAUHS-SECBINFHSA-N 1 2 242.298 1.431 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC1=CCCOC1 ZINC000661654849 411831800 /nfs/dbraw/zinc/83/18/00/411831800.db2.gz NPXLFGJJIOXTTR-VIFPVBQESA-N 1 2 237.307 0.550 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC1=CCCOC1 ZINC000661654849 411831804 /nfs/dbraw/zinc/83/18/04/411831804.db2.gz NPXLFGJJIOXTTR-VIFPVBQESA-N 1 2 237.307 0.550 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000349422762 411846061 /nfs/dbraw/zinc/84/60/61/411846061.db2.gz BLJPTDIOMSPGIZ-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccc(N)nc2)[C@@H](C)C1 ZINC000647516802 411854768 /nfs/dbraw/zinc/85/47/68/411854768.db2.gz OSXZPMXLGPKPMC-JTQLQIEISA-N 1 2 248.330 0.716 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccc(N)nc2)[C@@H](C)C1 ZINC000647516802 411854771 /nfs/dbraw/zinc/85/47/71/411854771.db2.gz OSXZPMXLGPKPMC-JTQLQIEISA-N 1 2 248.330 0.716 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nccc(N)n2)C1 ZINC000565171972 411857659 /nfs/dbraw/zinc/85/76/59/411857659.db2.gz JRPLUSIQFIWKAD-WPRPVWTQSA-N 1 2 249.318 0.330 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2nccc(N)n2)C1 ZINC000565171972 411857660 /nfs/dbraw/zinc/85/76/60/411857660.db2.gz JRPLUSIQFIWKAD-WPRPVWTQSA-N 1 2 249.318 0.330 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661720880 411859359 /nfs/dbraw/zinc/85/93/59/411859359.db2.gz FFXBTDAROPXYPN-TVQRCGJNSA-N 1 2 249.314 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661720880 411859362 /nfs/dbraw/zinc/85/93/62/411859362.db2.gz FFXBTDAROPXYPN-TVQRCGJNSA-N 1 2 249.314 0.701 20 0 BCADLO Cc1cc(C)n(CC[N@@H+](C)Cc2cn(C)nn2)n1 ZINC000661743323 411863343 /nfs/dbraw/zinc/86/33/43/411863343.db2.gz GDQLXRBYDXNXBY-UHFFFAOYSA-N 1 2 248.334 0.760 20 0 BCADLO Cc1cc(C)n(CC[N@H+](C)Cc2cn(C)nn2)n1 ZINC000661743323 411863349 /nfs/dbraw/zinc/86/33/49/411863349.db2.gz GDQLXRBYDXNXBY-UHFFFAOYSA-N 1 2 248.334 0.760 20 0 BCADLO COCCCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000397352141 411863553 /nfs/dbraw/zinc/86/35/53/411863553.db2.gz ORSRGBJSKSPABU-UHFFFAOYSA-N 1 2 225.296 0.625 20 0 BCADLO COCCCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000397352141 411863556 /nfs/dbraw/zinc/86/35/56/411863556.db2.gz ORSRGBJSKSPABU-UHFFFAOYSA-N 1 2 225.296 0.625 20 0 BCADLO Cc1nc(N(C)CCc2cnccn2)nc(N)[nH+]1 ZINC000631189517 411941896 /nfs/dbraw/zinc/94/18/96/411941896.db2.gz BXPQWRYJWVSXCU-UHFFFAOYSA-N 1 2 245.290 0.231 20 0 BCADLO Cc1nc(N)nc(N(C)CCc2cnccn2)[nH+]1 ZINC000631189517 411941900 /nfs/dbraw/zinc/94/19/00/411941900.db2.gz BXPQWRYJWVSXCU-UHFFFAOYSA-N 1 2 245.290 0.231 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661804630 411887556 /nfs/dbraw/zinc/88/75/56/411887556.db2.gz IAFUAYKERURONP-MRVPVSSYSA-N 1 2 240.332 0.763 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661804630 411887559 /nfs/dbraw/zinc/88/75/59/411887559.db2.gz IAFUAYKERURONP-MRVPVSSYSA-N 1 2 240.332 0.763 20 0 BCADLO CN1CC[N@H+](Cc2nccs2)CCC1=O ZINC000661809396 411888679 /nfs/dbraw/zinc/88/86/79/411888679.db2.gz UWTOEUXIMXJXQS-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CN1CC[N@@H+](Cc2nccs2)CCC1=O ZINC000661809396 411888681 /nfs/dbraw/zinc/88/86/81/411888681.db2.gz UWTOEUXIMXJXQS-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000661811803 411891536 /nfs/dbraw/zinc/89/15/36/411891536.db2.gz ZLEPVZKMIDJKQC-MRVPVSSYSA-N 1 2 238.291 0.603 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000661811803 411891541 /nfs/dbraw/zinc/89/15/41/411891541.db2.gz ZLEPVZKMIDJKQC-MRVPVSSYSA-N 1 2 238.291 0.603 20 0 BCADLO CN1C(=O)CC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000647756551 411894386 /nfs/dbraw/zinc/89/43/86/411894386.db2.gz RZZFZWRGBHZAOO-QMMMGPOBSA-N 1 2 234.259 0.223 20 0 BCADLO CO[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631294789 411894512 /nfs/dbraw/zinc/89/45/12/411894512.db2.gz RYHPGONJSCHODD-APPZFPTMSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C[C@H]1C ZINC000631294789 411894515 /nfs/dbraw/zinc/89/45/15/411894515.db2.gz RYHPGONJSCHODD-APPZFPTMSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1noc(C[NH2+][C@H]2C[C@H](O)C23CCC3)n1 ZINC000661831480 411894790 /nfs/dbraw/zinc/89/47/90/411894790.db2.gz OVDDXTOPMKBVTJ-IUCAKERBSA-N 1 2 223.276 0.771 20 0 BCADLO CO[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631294792 411896294 /nfs/dbraw/zinc/89/62/94/411896294.db2.gz RYHPGONJSCHODD-IONNQARKSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C[C@@H]1C ZINC000631294792 411896298 /nfs/dbraw/zinc/89/62/98/411896298.db2.gz RYHPGONJSCHODD-IONNQARKSA-N 1 2 237.307 0.623 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+](C)CCOCCO ZINC000520248319 411901661 /nfs/dbraw/zinc/90/16/61/411901661.db2.gz YWASFKTUCOSSCD-VIFPVBQESA-N 1 2 240.307 0.061 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCOCCO ZINC000520248319 411901667 /nfs/dbraw/zinc/90/16/67/411901667.db2.gz YWASFKTUCOSSCD-VIFPVBQESA-N 1 2 240.307 0.061 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)C[C@H](C)O1 ZINC000661852773 411902320 /nfs/dbraw/zinc/90/23/20/411902320.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H](C)O1 ZINC000661852773 411902322 /nfs/dbraw/zinc/90/23/22/411902322.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H](C)O1 ZINC000661852773 411902325 /nfs/dbraw/zinc/90/23/25/411902325.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H](C)O1 ZINC000661852773 411902329 /nfs/dbraw/zinc/90/23/29/411902329.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H](C)O1 ZINC000661852773 411902332 /nfs/dbraw/zinc/90/23/32/411902332.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H](C)O1 ZINC000661852773 411902336 /nfs/dbraw/zinc/90/23/36/411902336.db2.gz GLIGXBCOZCRLTP-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1cc[nH+]c(N)c1 ZINC000646126172 411903635 /nfs/dbraw/zinc/90/36/35/411903635.db2.gz FJPZSCQHOZVWLL-MRVPVSSYSA-N 1 2 220.276 0.284 20 0 BCADLO CCn1cc([C@H](C)Nc2nc(C)[nH+]c(N)n2)cn1 ZINC000631296047 411903655 /nfs/dbraw/zinc/90/36/55/411903655.db2.gz YXRDCRJTRXVDKM-ZETCQYMHSA-N 1 2 247.306 0.574 20 0 BCADLO CCn1cc([C@H](C)Nc2nc(N)nc(C)[nH+]2)cn1 ZINC000631296047 411903658 /nfs/dbraw/zinc/90/36/58/411903658.db2.gz YXRDCRJTRXVDKM-ZETCQYMHSA-N 1 2 247.306 0.574 20 0 BCADLO Cc1nc(NC[C@@H](C)c2ccccn2)nc(N)[nH+]1 ZINC000631349896 411942833 /nfs/dbraw/zinc/94/28/33/411942833.db2.gz OUSGYNUZSIVHJE-MRVPVSSYSA-N 1 2 244.302 0.795 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)c2ccccn2)[nH+]1 ZINC000631349896 411942836 /nfs/dbraw/zinc/94/28/36/411942836.db2.gz OUSGYNUZSIVHJE-MRVPVSSYSA-N 1 2 244.302 0.795 20 0 BCADLO CCC[C@H](CCO)Nc1nc(C)[nH+]c(N)n1 ZINC000631425689 411914916 /nfs/dbraw/zinc/91/49/16/411914916.db2.gz GNLMNKLVSYAVNX-MRVPVSSYSA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@H](CCO)Nc1nc(N)nc(C)[nH+]1 ZINC000631425689 411914920 /nfs/dbraw/zinc/91/49/20/411914920.db2.gz GNLMNKLVSYAVNX-MRVPVSSYSA-N 1 2 225.296 0.725 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000514722497 411916788 /nfs/dbraw/zinc/91/67/88/411916788.db2.gz CDTIUVSNUKBMEZ-KTLJEJPDSA-N 1 2 244.298 0.959 20 0 BCADLO Cc1nocc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292520 411921977 /nfs/dbraw/zinc/92/19/77/411921977.db2.gz QZSKIIOPMZMLFB-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1nocc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292520 411921980 /nfs/dbraw/zinc/92/19/80/411921980.db2.gz QZSKIIOPMZMLFB-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc[nH+]1 ZINC000664340447 411925638 /nfs/dbraw/zinc/92/56/38/411925638.db2.gz ZIJPUXCNIICYAZ-MNOVXSKESA-N 1 2 246.314 0.890 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+](C)C1CC(O)C1 ZINC000565783385 411926513 /nfs/dbraw/zinc/92/65/13/411926513.db2.gz OFKJBENUCNOGGO-AFPNSQJFSA-N 1 2 222.292 0.575 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+](C)C1CC(O)C1 ZINC000565783385 411926516 /nfs/dbraw/zinc/92/65/16/411926516.db2.gz OFKJBENUCNOGGO-AFPNSQJFSA-N 1 2 222.292 0.575 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662035701 411943243 /nfs/dbraw/zinc/94/32/43/411943243.db2.gz HBZZIVSBOUGCRC-VHSXEESVSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662035701 411943247 /nfs/dbraw/zinc/94/32/47/411943247.db2.gz HBZZIVSBOUGCRC-VHSXEESVSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1cnc(C)nc1NCc1ccc(N)[nH+]c1 ZINC000568453146 411934956 /nfs/dbraw/zinc/93/49/56/411934956.db2.gz GBVOTEANLOZPAK-UHFFFAOYSA-N 1 2 229.287 1.105 20 0 BCADLO Cc1cc(NC(=O)c2cnc(C)nc2N)cc[nH+]1 ZINC000622368394 411936360 /nfs/dbraw/zinc/93/63/60/411936360.db2.gz VOVYZFCSRRXGQA-UHFFFAOYSA-N 1 2 243.270 0.745 20 0 BCADLO Cc1nc(N(C)Cc2cnccn2)nc(N)[nH+]1 ZINC000631120075 411938647 /nfs/dbraw/zinc/93/86/47/411938647.db2.gz HBAZCSWBLRLKGY-UHFFFAOYSA-N 1 2 231.263 0.189 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2cnccn2)[nH+]1 ZINC000631120075 411938652 /nfs/dbraw/zinc/93/86/52/411938652.db2.gz HBAZCSWBLRLKGY-UHFFFAOYSA-N 1 2 231.263 0.189 20 0 BCADLO CCO[C@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000631297456 411869583 /nfs/dbraw/zinc/86/95/83/411869583.db2.gz AOVZWLCGPYALNR-ZKCHVHJHSA-N 1 2 223.280 0.742 20 0 BCADLO CCO[C@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000631297456 411869586 /nfs/dbraw/zinc/86/95/86/411869586.db2.gz AOVZWLCGPYALNR-ZKCHVHJHSA-N 1 2 223.280 0.742 20 0 BCADLO CCOC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000383763230 411869782 /nfs/dbraw/zinc/86/97/82/411869782.db2.gz GGHCLOVQWFQAPC-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO CCOC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000383763230 411869788 /nfs/dbraw/zinc/86/97/88/411869788.db2.gz GGHCLOVQWFQAPC-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO CCOCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000383250536 411870109 /nfs/dbraw/zinc/87/01/09/411870109.db2.gz GADWIEOFTPVZRF-UHFFFAOYSA-N 1 2 239.323 0.659 20 0 BCADLO CCOCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000383250536 411870112 /nfs/dbraw/zinc/87/01/12/411870112.db2.gz GADWIEOFTPVZRF-UHFFFAOYSA-N 1 2 239.323 0.659 20 0 BCADLO CCSC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000601196010 411873596 /nfs/dbraw/zinc/87/35/96/411873596.db2.gz CUSDQKPMFGWFJQ-UHFFFAOYSA-N 1 2 239.348 0.882 20 0 BCADLO CCSC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000601196010 411873601 /nfs/dbraw/zinc/87/36/01/411873601.db2.gz CUSDQKPMFGWFJQ-UHFFFAOYSA-N 1 2 239.348 0.882 20 0 BCADLO Cc1cc(N2CC[C@H](Cn3ccnn3)C2)nc[nH+]1 ZINC000664167316 411878055 /nfs/dbraw/zinc/87/80/55/411878055.db2.gz AJPXKWLXMQEPOO-NSHDSACASA-N 1 2 244.302 0.903 20 0 BCADLO C[N@H+](Cc1cc[nH+]c(N)c1)C(C)(C)C(=O)[O-] ZINC000573379963 411879526 /nfs/dbraw/zinc/87/95/26/411879526.db2.gz YHSQMOAXSWUSDV-UHFFFAOYSA-N 1 2 223.276 0.959 20 0 BCADLO C[N@@H+](Cc1cc[nH+]c(N)c1)C(C)(C)C(=O)[O-] ZINC000573379963 411879531 /nfs/dbraw/zinc/87/95/31/411879531.db2.gz YHSQMOAXSWUSDV-UHFFFAOYSA-N 1 2 223.276 0.959 20 0 BCADLO CC[C@@]1(C)CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631241864 411884176 /nfs/dbraw/zinc/88/41/76/411884176.db2.gz WWTDVZIEPMUHSQ-NSHDSACASA-N 1 2 237.307 0.768 20 0 BCADLO CC[C@@]1(C)CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631241864 411884179 /nfs/dbraw/zinc/88/41/79/411884179.db2.gz WWTDVZIEPMUHSQ-NSHDSACASA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(N2CC[C@@H]3C[C@@H]3C2)nc(N)[nH+]1 ZINC000631378573 411964155 /nfs/dbraw/zinc/96/41/55/411964155.db2.gz OOFFLPKFJRWYKE-HTQZYQBOSA-N 1 2 205.265 0.608 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000631378573 411964161 /nfs/dbraw/zinc/96/41/61/411964161.db2.gz OOFFLPKFJRWYKE-HTQZYQBOSA-N 1 2 205.265 0.608 20 0 BCADLO Cc1nc(N2CCC[C@@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631175321 411964933 /nfs/dbraw/zinc/96/49/33/411964933.db2.gz MPJSAJGQGWQOLV-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000631175321 411964936 /nfs/dbraw/zinc/96/49/36/411964936.db2.gz MPJSAJGQGWQOLV-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N2CC[C@H]3COC[C@@H]3C2)nc(N)[nH+]1 ZINC000631371017 411966007 /nfs/dbraw/zinc/96/60/07/411966007.db2.gz FDPUAWTWYPTPPM-IUCAKERBSA-N 1 2 235.291 0.235 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]3COC[C@@H]3C2)[nH+]1 ZINC000631371017 411966012 /nfs/dbraw/zinc/96/60/12/411966012.db2.gz FDPUAWTWYPTPPM-IUCAKERBSA-N 1 2 235.291 0.235 20 0 BCADLO Cc1nc(N2CC[C@]3(C2)CCCOC3)nc(N)[nH+]1 ZINC000631266484 411966293 /nfs/dbraw/zinc/96/62/93/411966293.db2.gz KIRZMRRAECBISQ-LBPRGKRZSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CC[C@]3(C2)CCCOC3)[nH+]1 ZINC000631266484 411966299 /nfs/dbraw/zinc/96/62/99/411966299.db2.gz KIRZMRRAECBISQ-LBPRGKRZSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N[C@H]2COC(C)(C)C2)nc(N)[nH+]1 ZINC000396461661 411967680 /nfs/dbraw/zinc/96/76/80/411967680.db2.gz JPHRNBOAKIFEDW-SSDOTTSWSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2COC(C)(C)C2)[nH+]1 ZINC000396461661 411967687 /nfs/dbraw/zinc/96/76/87/411967687.db2.gz JPHRNBOAKIFEDW-SSDOTTSWSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc(N)[nH+]1 ZINC000384664226 411967743 /nfs/dbraw/zinc/96/77/43/411967743.db2.gz WOTGFZWMZMFAJZ-ATRFCDNQSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@@H](C)O[C@@H]2C)[nH+]1 ZINC000384664226 411967750 /nfs/dbraw/zinc/96/77/50/411967750.db2.gz WOTGFZWMZMFAJZ-ATRFCDNQSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631390997 411967818 /nfs/dbraw/zinc/96/78/18/411967818.db2.gz BORVBKRRWMYGJL-DTWKUNHWSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CO[C@@H](C3CC3)C2)[nH+]1 ZINC000631390997 411967823 /nfs/dbraw/zinc/96/78/23/411967823.db2.gz BORVBKRRWMYGJL-DTWKUNHWSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N[C@H]2CO[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631390996 411968961 /nfs/dbraw/zinc/96/89/61/411968961.db2.gz BORVBKRRWMYGJL-BDAKNGLRSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CO[C@H](C3CC3)C2)[nH+]1 ZINC000631390996 411968965 /nfs/dbraw/zinc/96/89/65/411968965.db2.gz BORVBKRRWMYGJL-BDAKNGLRSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(N)[nH+]1 ZINC000397797267 411969401 /nfs/dbraw/zinc/96/94/01/411969401.db2.gz DCFFAEXNBKXDAL-RNLVFQAGSA-N 1 2 205.265 0.973 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000397797267 411969408 /nfs/dbraw/zinc/96/94/08/411969408.db2.gz DCFFAEXNBKXDAL-RNLVFQAGSA-N 1 2 205.265 0.973 20 0 BCADLO Nc1ccnc(CN2CCn3cc[nH+]c3C2)n1 ZINC000329859782 411969889 /nfs/dbraw/zinc/96/98/89/411969889.db2.gz WWYZMKRMKBWKNZ-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331163167 411974426 /nfs/dbraw/zinc/97/44/26/411974426.db2.gz FXMVFUJKOHDFMU-MRVPVSSYSA-N 1 2 235.291 0.773 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331163167 411974428 /nfs/dbraw/zinc/97/44/28/411974428.db2.gz FXMVFUJKOHDFMU-MRVPVSSYSA-N 1 2 235.291 0.773 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2C[C@H]2C1 ZINC000664525840 411977348 /nfs/dbraw/zinc/97/73/48/411977348.db2.gz SDYKJAJAQRBFLK-YUMQZZPRSA-N 1 2 244.302 0.792 20 0 BCADLO Cn1ncc2c1nc(N1CC[C@@H]3C[C@@H]3C1)[nH+]c2N ZINC000664526180 411977591 /nfs/dbraw/zinc/97/75/91/411977591.db2.gz TYWVNOKJVGXPFN-HTQZYQBOSA-N 1 2 244.302 0.792 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2=CCCC2)c[nH+]1 ZINC000580554914 411984809 /nfs/dbraw/zinc/98/48/09/411984809.db2.gz FRUKBZOMKVLTSL-UHFFFAOYSA-N 1 2 232.287 1.094 20 0 BCADLO Cc1nc(N)c(CNC(=O)C[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000582609684 411985084 /nfs/dbraw/zinc/98/50/84/411985084.db2.gz LCJSEYYMWDQFOS-CBAPKCEASA-N 1 2 234.303 1.030 20 0 BCADLO C[C@H](NC(=O)N1CC(F)C1)c1[nH+]ccn1C ZINC000662091601 411985974 /nfs/dbraw/zinc/98/59/74/411985974.db2.gz LMHBKFBEGWNSIC-ZETCQYMHSA-N 1 2 226.255 0.844 20 0 BCADLO Nc1[nH+]cnc(N2CCC3(COC3)C2)c1Cl ZINC000664569000 411989132 /nfs/dbraw/zinc/98/91/32/411989132.db2.gz CCSRTLCTIOVGCG-UHFFFAOYSA-N 1 2 240.694 0.939 20 0 BCADLO Nc1nc[nH+]c(N2CCC3(COC3)C2)c1Cl ZINC000664569000 411989134 /nfs/dbraw/zinc/98/91/34/411989134.db2.gz CCSRTLCTIOVGCG-UHFFFAOYSA-N 1 2 240.694 0.939 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](CCN1CCOCC1)C2 ZINC000662123680 411994248 /nfs/dbraw/zinc/99/42/48/411994248.db2.gz CIIPCFRPGCBCII-UHFFFAOYSA-N 1 2 248.330 0.167 20 0 BCADLO c1cnc2c(n1)CC[N@H+](CCN1CCOCC1)C2 ZINC000662123680 411994251 /nfs/dbraw/zinc/99/42/51/411994251.db2.gz CIIPCFRPGCBCII-UHFFFAOYSA-N 1 2 248.330 0.167 20 0 BCADLO c1cnc2c(n1)CCN(CC[NH+]1CCOCC1)C2 ZINC000662123680 411994256 /nfs/dbraw/zinc/99/42/56/411994256.db2.gz CIIPCFRPGCBCII-UHFFFAOYSA-N 1 2 248.330 0.167 20 0 BCADLO C[C@@H](Nc1nccn2nnnc12)c1[nH+]ccn1C ZINC000664608497 411998585 /nfs/dbraw/zinc/99/85/85/411998585.db2.gz FOOXNQQWTVLCLY-SSDOTTSWSA-N 1 2 244.262 0.426 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662137682 411999713 /nfs/dbraw/zinc/99/97/13/411999713.db2.gz ZDCKSXRHVNOYOI-KCJUWKMLSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662137682 411999715 /nfs/dbraw/zinc/99/97/15/411999715.db2.gz ZDCKSXRHVNOYOI-KCJUWKMLSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(N(C)C)nc(NCCOCCF)[nH+]1 ZINC000664674665 412009192 /nfs/dbraw/zinc/00/91/92/412009192.db2.gz LVFQTYCXQLZWRU-UHFFFAOYSA-N 1 2 243.286 0.644 20 0 BCADLO Cc1nc(NCCOCCF)nc(N(C)C)[nH+]1 ZINC000664674665 412009195 /nfs/dbraw/zinc/00/91/95/412009195.db2.gz LVFQTYCXQLZWRU-UHFFFAOYSA-N 1 2 243.286 0.644 20 0 BCADLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(N)=O ZINC000662160980 412013179 /nfs/dbraw/zinc/01/31/79/412013179.db2.gz KMCADACPLXEAHY-QUBYGPBYSA-N 1 2 244.241 0.462 20 0 BCADLO Cc1nc(NCc2ccn(C(C)C)n2)nc(N)[nH+]1 ZINC000631124319 411944125 /nfs/dbraw/zinc/94/41/25/411944125.db2.gz JNHFYFYLOCZKEU-UHFFFAOYSA-N 1 2 247.306 0.574 20 0 BCADLO Cc1nc(N)nc(NCc2ccn(C(C)C)n2)[nH+]1 ZINC000631124319 411944129 /nfs/dbraw/zinc/94/41/29/411944129.db2.gz JNHFYFYLOCZKEU-UHFFFAOYSA-N 1 2 247.306 0.574 20 0 BCADLO Cc1nc(NCC2CC(F)(F)C2)nc(N)[nH+]1 ZINC000383219246 411945152 /nfs/dbraw/zinc/94/51/52/411945152.db2.gz RFZYJEOGQRSQCR-UHFFFAOYSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NCC2CC(F)(F)C2)[nH+]1 ZINC000383219246 411945156 /nfs/dbraw/zinc/94/51/56/411945156.db2.gz RFZYJEOGQRSQCR-UHFFFAOYSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c(C)nc2N)no1 ZINC000570113276 411946395 /nfs/dbraw/zinc/94/63/95/411946395.db2.gz KYMZEHYDDBLARL-UHFFFAOYSA-N 1 2 247.258 0.594 20 0 BCADLO Nc1cc2c(nn1)CC[N@H+](Cc1ccccn1)C2 ZINC000361944298 411948922 /nfs/dbraw/zinc/94/89/22/411948922.db2.gz OTGAKKCYKFCFGF-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BCADLO Nc1cc2c(nn1)CC[N@@H+](Cc1ccccn1)C2 ZINC000361944298 411948925 /nfs/dbraw/zinc/94/89/25/411948925.db2.gz OTGAKKCYKFCFGF-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BCADLO Cn1c[nH+]cc1CN1CCc2cnc(N)nc2C1 ZINC000623294220 411951652 /nfs/dbraw/zinc/95/16/52/411951652.db2.gz XCRVSXQELPSDNW-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO Cc1cc(N(C)Cc2cn(C)nn2)nc[nH+]1 ZINC000664431585 411954409 /nfs/dbraw/zinc/95/44/09/411954409.db2.gz MCBXPXSQXZKGBG-UHFFFAOYSA-N 1 2 218.264 0.550 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCCF ZINC000574339655 411956688 /nfs/dbraw/zinc/95/66/88/411956688.db2.gz LCEGJEYRPIKLQU-UHFFFAOYSA-N 1 2 210.216 0.327 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2CCCCC(=O)N2)c[nH+]1 ZINC000564837030 411958216 /nfs/dbraw/zinc/95/82/16/411958216.db2.gz AWVIGLWMQUTBOC-VIFPVBQESA-N 1 2 248.286 0.661 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000637830490 411958845 /nfs/dbraw/zinc/95/88/45/411958845.db2.gz XDMWXZGRCHRQFH-RKDXNWHRSA-N 1 2 243.270 1.129 20 0 BCADLO Cc1nc(N2CCC(C)CC2)nc(N)[nH+]1 ZINC000380060651 411961921 /nfs/dbraw/zinc/96/19/21/411961921.db2.gz ZLNDLVWYILFGBX-UHFFFAOYSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N)nc(N2CCC(C)CC2)[nH+]1 ZINC000380060651 411961927 /nfs/dbraw/zinc/96/19/27/411961927.db2.gz ZLNDLVWYILFGBX-UHFFFAOYSA-N 1 2 207.281 0.999 20 0 BCADLO C[C@H](NC(=O)C(=O)c1ccc[nH]1)c1[nH+]ccn1C ZINC000664455333 411962645 /nfs/dbraw/zinc/96/26/45/411962645.db2.gz YROZCXTWFCMORG-QMMMGPOBSA-N 1 2 246.270 0.808 20 0 BCADLO Cc1nc(NC[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000664459461 411963632 /nfs/dbraw/zinc/96/36/32/411963632.db2.gz YVWMICVNJYVZKA-SECBINFHSA-N 1 2 220.276 0.675 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662231914 412032626 /nfs/dbraw/zinc/03/26/26/412032626.db2.gz UEYWVSITKUYRCG-QWRGUYRKSA-N 1 2 244.335 0.502 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662231914 412032627 /nfs/dbraw/zinc/03/26/27/412032627.db2.gz UEYWVSITKUYRCG-QWRGUYRKSA-N 1 2 244.335 0.502 20 0 BCADLO C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245118 412041241 /nfs/dbraw/zinc/04/12/41/412041241.db2.gz KOEIUCSQBFPCBY-VXGBXAGGSA-N 1 2 239.363 0.191 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000330761660 171064445 /nfs/dbraw/zinc/06/44/45/171064445.db2.gz NJAMDWDXARSVHJ-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000330761660 171064446 /nfs/dbraw/zinc/06/44/46/171064446.db2.gz NJAMDWDXARSVHJ-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1C[N@H+](CCOC)C[C@H](C)[S@@]1=O ZINC000352894510 171080041 /nfs/dbraw/zinc/08/00/41/171080041.db2.gz SYIUNYBDCRYPNU-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOC)C[C@H](C)[S@@]1=O ZINC000352894510 171080043 /nfs/dbraw/zinc/08/00/43/171080043.db2.gz SYIUNYBDCRYPNU-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CCCO1 ZINC000333373425 171093686 /nfs/dbraw/zinc/09/36/86/171093686.db2.gz ZNSLHZWYERIPSF-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)CCCO1 ZINC000333373425 171093687 /nfs/dbraw/zinc/09/36/87/171093687.db2.gz ZNSLHZWYERIPSF-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H](C)O1 ZINC000336648249 171095831 /nfs/dbraw/zinc/09/58/31/171095831.db2.gz OIPONOMBCPOJNN-AEJSXWLSSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H](C)O1 ZINC000336648249 171095833 /nfs/dbraw/zinc/09/58/33/171095833.db2.gz OIPONOMBCPOJNN-AEJSXWLSSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000115741387 171105423 /nfs/dbraw/zinc/10/54/23/171105423.db2.gz VLZHMBWXHHYUKR-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCCC1 ZINC000115741387 171105424 /nfs/dbraw/zinc/10/54/24/171105424.db2.gz VLZHMBWXHHYUKR-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000115574322 171106741 /nfs/dbraw/zinc/10/67/41/171106741.db2.gz SDWKAVYJVJZECO-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000115574322 171106743 /nfs/dbraw/zinc/10/67/43/171106743.db2.gz SDWKAVYJVJZECO-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC ZINC000336470209 171108825 /nfs/dbraw/zinc/10/88/25/171108825.db2.gz RQMGIAUFRVBREB-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC ZINC000336470209 171108827 /nfs/dbraw/zinc/10/88/27/171108827.db2.gz RQMGIAUFRVBREB-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[C@@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359497079 171121495 /nfs/dbraw/zinc/12/14/95/171121495.db2.gz OCJGDCOLEVPVND-JEZHCXPESA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1C[C@@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359497079 171121496 /nfs/dbraw/zinc/12/14/96/171121496.db2.gz OCJGDCOLEVPVND-JEZHCXPESA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1C[C@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286327131 171132755 /nfs/dbraw/zinc/13/27/55/171132755.db2.gz OCJGDCOLEVPVND-FKTZTGRPSA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1C[C@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286327131 171132757 /nfs/dbraw/zinc/13/27/57/171132757.db2.gz OCJGDCOLEVPVND-FKTZTGRPSA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@](C)([NH2+]CCC(=O)NC)C(=O)OC ZINC000308933421 171174844 /nfs/dbraw/zinc/17/48/44/171174844.db2.gz KFVDNZBVLAXNSY-SNVBAGLBSA-N 1 2 216.281 0.054 20 0 BCADLO CC[C@@]1(C(=O)NO[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000119576260 171196324 /nfs/dbraw/zinc/19/63/24/171196324.db2.gz FYLCEFDOGHNYSG-ZYHUDNBSSA-N 1 2 242.319 0.951 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332737977 171212366 /nfs/dbraw/zinc/21/23/66/171212366.db2.gz XIQMYHUZIOTGBN-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332737977 171212368 /nfs/dbraw/zinc/21/23/68/171212368.db2.gz XIQMYHUZIOTGBN-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356597289 171213246 /nfs/dbraw/zinc/21/32/46/171213246.db2.gz OSVHJWYZIMBMJJ-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@H](C(=O)NCc1c[nH+]c[nH]1)C(=O)OC ZINC000338788938 171230862 /nfs/dbraw/zinc/23/08/62/171230862.db2.gz PQBCVLLRSKMTTA-MRVPVSSYSA-N 1 2 225.248 0.225 20 0 BCADLO CC[C@H](C(=O)NCc1c[nH]c[nH+]1)C(=O)OC ZINC000338788938 171230865 /nfs/dbraw/zinc/23/08/65/171230865.db2.gz PQBCVLLRSKMTTA-MRVPVSSYSA-N 1 2 225.248 0.225 20 0 BCADLO CC[C@H](C(=O)Nc1n[nH]c(SC)n1)[NH+](C)C ZINC000298822007 171235431 /nfs/dbraw/zinc/23/54/31/171235431.db2.gz GSYCQHIOMVSRBY-ZCFIWIBFSA-N 1 2 243.336 0.805 20 0 BCADLO CC[C@H](C(=O)Nc1nc(SC)n[nH]1)[NH+](C)C ZINC000298822007 171235432 /nfs/dbraw/zinc/23/54/32/171235432.db2.gz GSYCQHIOMVSRBY-ZCFIWIBFSA-N 1 2 243.336 0.805 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342149609 171241542 /nfs/dbraw/zinc/24/15/42/171241542.db2.gz NDZDYRKWXKMNPV-KXUCPTDWSA-N 1 2 213.277 0.801 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342149609 171241545 /nfs/dbraw/zinc/24/15/45/171241545.db2.gz NDZDYRKWXKMNPV-KXUCPTDWSA-N 1 2 213.277 0.801 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N1CCC1 ZINC000337239068 171310715 /nfs/dbraw/zinc/31/07/15/171310715.db2.gz MQOWFIHFBXOFBK-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N1CCC1 ZINC000337239068 171310716 /nfs/dbraw/zinc/31/07/16/171310716.db2.gz MQOWFIHFBXOFBK-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C)N(CCO)c1[nH+]cnc2c1cnn2C ZINC000288462621 171315050 /nfs/dbraw/zinc/31/50/50/171315050.db2.gz KCARUJNCDQKCTO-VIFPVBQESA-N 1 2 249.318 0.961 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000345834906 171444007 /nfs/dbraw/zinc/44/40/07/171444007.db2.gz MPGVBKYMKXEXGT-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000345834906 171444009 /nfs/dbraw/zinc/44/40/09/171444009.db2.gz MPGVBKYMKXEXGT-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662360822 412122853 /nfs/dbraw/zinc/12/28/53/412122853.db2.gz SPLBNFPTYILQPP-FWWHASMVSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662360822 412122855 /nfs/dbraw/zinc/12/28/55/412122855.db2.gz SPLBNFPTYILQPP-FWWHASMVSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@](C)(C(F)F)O1 ZINC000662362089 412124438 /nfs/dbraw/zinc/12/44/38/412124438.db2.gz FLZRYOPQVJLCLE-SOCHQFKDSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@](C)(C(F)F)O1 ZINC000662362089 412124445 /nfs/dbraw/zinc/12/44/45/412124445.db2.gz FLZRYOPQVJLCLE-SOCHQFKDSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000662367063 412125256 /nfs/dbraw/zinc/12/52/56/412125256.db2.gz CVFLSWKTJVSBOJ-KWQFWETISA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000662367063 412125257 /nfs/dbraw/zinc/12/52/57/412125257.db2.gz CVFLSWKTJVSBOJ-KWQFWETISA-N 1 2 248.273 0.621 20 0 BCADLO C[C@]1(C(F)F)C[N@H+](CCn2cncn2)CCO1 ZINC000662368882 412126998 /nfs/dbraw/zinc/12/69/98/412126998.db2.gz HAWYNAVPAPMYJJ-SNVBAGLBSA-N 1 2 246.261 0.634 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+](CCn2cncn2)CCO1 ZINC000662368882 412127000 /nfs/dbraw/zinc/12/70/00/412127000.db2.gz HAWYNAVPAPMYJJ-SNVBAGLBSA-N 1 2 246.261 0.634 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662375312 412129084 /nfs/dbraw/zinc/12/90/84/412129084.db2.gz OJDFCZUXRPKFHZ-XVKPBYJWSA-N 1 2 236.262 0.606 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662375312 412129088 /nfs/dbraw/zinc/12/90/88/412129088.db2.gz OJDFCZUXRPKFHZ-XVKPBYJWSA-N 1 2 236.262 0.606 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662375310 412130291 /nfs/dbraw/zinc/13/02/91/412130291.db2.gz OJDFCZUXRPKFHZ-XCBNKYQSSA-N 1 2 236.262 0.606 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662375310 412130294 /nfs/dbraw/zinc/13/02/94/412130294.db2.gz OJDFCZUXRPKFHZ-XCBNKYQSSA-N 1 2 236.262 0.606 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)[C@@H]1C ZINC000645218201 412134859 /nfs/dbraw/zinc/13/48/59/412134859.db2.gz WZLFMPBRUKXDIT-HTQZYQBOSA-N 1 2 209.249 0.953 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)[C@@H]1C ZINC000645218201 412134863 /nfs/dbraw/zinc/13/48/63/412134863.db2.gz WZLFMPBRUKXDIT-HTQZYQBOSA-N 1 2 209.249 0.953 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1COCCO1)c1[nH]cc[nH+]1 ZINC000140725464 171506392 /nfs/dbraw/zinc/50/63/92/171506392.db2.gz BZOQEWIWOZXQPT-IUCAKERBSA-N 1 2 239.275 0.392 20 0 BCADLO FC(F)c1nnc(NCC[NH+]2CCOCC2)o1 ZINC000429336975 412212031 /nfs/dbraw/zinc/21/20/31/412212031.db2.gz RYHFCSBRKUBCRY-UHFFFAOYSA-N 1 2 248.233 0.751 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1nccn2nnnc12 ZINC000536986084 412213100 /nfs/dbraw/zinc/21/31/00/412213100.db2.gz MVKOTMHRZDNRME-MRVPVSSYSA-N 1 2 244.262 0.216 20 0 BCADLO COCCn1cc(-c2c[nH+]cn2C)cn1 ZINC000665226842 412165280 /nfs/dbraw/zinc/16/52/80/412165280.db2.gz QQDQXZMJDKKVLX-UHFFFAOYSA-N 1 2 206.249 0.930 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2nnc(C3CC3)o2)C1 ZINC000329363144 412256771 /nfs/dbraw/zinc/25/67/71/412256771.db2.gz HMZHHQJHAIGUQM-SECBINFHSA-N 1 2 238.291 0.690 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2nnc(C3CC3)o2)C1 ZINC000329363144 412256773 /nfs/dbraw/zinc/25/67/73/412256773.db2.gz HMZHHQJHAIGUQM-SECBINFHSA-N 1 2 238.291 0.690 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)[C@H]1C ZINC000645218204 412265823 /nfs/dbraw/zinc/26/58/23/412265823.db2.gz WZLFMPBRUKXDIT-YUMQZZPRSA-N 1 2 209.249 0.953 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)[C@H]1C ZINC000645218204 412265825 /nfs/dbraw/zinc/26/58/25/412265825.db2.gz WZLFMPBRUKXDIT-YUMQZZPRSA-N 1 2 209.249 0.953 20 0 BCADLO C[C@H]1C[N@H+](CCNc2nncs2)CCO1 ZINC000572711160 412266232 /nfs/dbraw/zinc/26/62/32/412266232.db2.gz UPPQMQCGOFDBRG-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2nncs2)CCO1 ZINC000572711160 412266236 /nfs/dbraw/zinc/26/62/36/412266236.db2.gz UPPQMQCGOFDBRG-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@H]1C[C@@H]1c1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000643183367 412268656 /nfs/dbraw/zinc/26/86/56/412268656.db2.gz YBXSZBWOGABUMX-IUCAKERBSA-N 1 2 245.286 1.368 20 0 BCADLO Cc1c(NC(=O)[C@H](C)[NH3+])[nH]nc1-c1ccncc1 ZINC000370778906 412287283 /nfs/dbraw/zinc/28/72/83/412287283.db2.gz IFWUNNHRDKCZMC-QMMMGPOBSA-N 1 2 245.286 1.066 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](N)C(F)(F)F ZINC000662586190 412227321 /nfs/dbraw/zinc/22/73/21/412227321.db2.gz QGJMKMIHWOKOHM-ZCFIWIBFSA-N 1 2 236.197 0.258 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](N)C(F)(F)F ZINC000662586190 412227324 /nfs/dbraw/zinc/22/73/24/412227324.db2.gz QGJMKMIHWOKOHM-ZCFIWIBFSA-N 1 2 236.197 0.258 20 0 BCADLO CNc1ccc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000354524645 412308029 /nfs/dbraw/zinc/30/80/29/412308029.db2.gz XZLFFVJZSUSCFI-UHFFFAOYSA-N 1 2 244.254 0.898 20 0 BCADLO CC(C)[C@H](CO)CNc1nc[nH+]c(N)c1Cl ZINC000336673838 412315560 /nfs/dbraw/zinc/31/55/60/412315560.db2.gz OSYHXEIWONKAGZ-ZETCQYMHSA-N 1 2 244.726 1.389 20 0 BCADLO CC(C)[C@H](CO)CNc1[nH+]cnc(N)c1Cl ZINC000336673838 412315562 /nfs/dbraw/zinc/31/55/62/412315562.db2.gz OSYHXEIWONKAGZ-ZETCQYMHSA-N 1 2 244.726 1.389 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCC[C@@H](C)O)c1 ZINC000596130154 412330853 /nfs/dbraw/zinc/33/08/53/412330853.db2.gz WBGNRLYDWMVJAY-SECBINFHSA-N 1 2 238.287 0.980 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCC[C@H](C)O)c1 ZINC000596130155 412330975 /nfs/dbraw/zinc/33/09/75/412330975.db2.gz WBGNRLYDWMVJAY-VIFPVBQESA-N 1 2 238.287 0.980 20 0 BCADLO COC(=O)[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000579494647 412335353 /nfs/dbraw/zinc/33/53/53/412335353.db2.gz VMWHBGZVOCMRGI-SECBINFHSA-N 1 2 239.275 0.693 20 0 BCADLO Cc1cc(NC(=O)CC[NH2+]CC(C)(F)F)no1 ZINC000573083774 412341179 /nfs/dbraw/zinc/34/11/79/412341179.db2.gz INEJSWWHGVKEJL-UHFFFAOYSA-N 1 2 247.245 1.556 20 0 BCADLO CC[C@](C)(NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000270029475 171697755 /nfs/dbraw/zinc/69/77/55/171697755.db2.gz AUAHYCKFZIVTRV-NSHDSACASA-N 1 2 239.275 0.790 20 0 BCADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)nn1C ZINC000439608069 412344150 /nfs/dbraw/zinc/34/41/50/412344150.db2.gz TWLIEFCIAVKDCR-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO CCCCc1cc(NC[C@H](O)CO)nc[nH+]1 ZINC000631171701 412346864 /nfs/dbraw/zinc/34/68/64/412346864.db2.gz ZOWVYZHMPPCHQR-JTQLQIEISA-N 1 2 225.292 0.584 20 0 BCADLO COCC(COC)Nc1cc[nH+]c(C2CC2)n1 ZINC000450795180 412356218 /nfs/dbraw/zinc/35/62/18/412356218.db2.gz TUKCASITXWOCJK-UHFFFAOYSA-N 1 2 237.303 1.427 20 0 BCADLO COCCCn1c2ccccc2[nH+]c1NCCO ZINC000352332813 412360603 /nfs/dbraw/zinc/36/06/03/412360603.db2.gz IJHGWZQNOZSPPB-UHFFFAOYSA-N 1 2 249.314 1.477 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@H]1COCC[N@@H+]1C ZINC000663217908 412393840 /nfs/dbraw/zinc/39/38/40/412393840.db2.gz OOORMOGMAFJBTO-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@H]1COCC[N@H+]1C ZINC000663217908 412393844 /nfs/dbraw/zinc/39/38/44/412393844.db2.gz OOORMOGMAFJBTO-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H]2CO)[nH]1 ZINC000181684943 171976168 /nfs/dbraw/zinc/97/61/68/171976168.db2.gz ZQQJDRYXSJXRLP-QMMMGPOBSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H]2CO)[nH]1 ZINC000181684943 171976172 /nfs/dbraw/zinc/97/61/72/171976172.db2.gz ZQQJDRYXSJXRLP-QMMMGPOBSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nc([C@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000270803280 172005976 /nfs/dbraw/zinc/00/59/76/172005976.db2.gz WWLOFIWXEHLOFD-ZETCQYMHSA-N 1 2 225.296 0.106 20 0 BCADLO CCc1nc([C@H](C)[NH2+]CC(N)=O)cs1 ZINC000184703217 172006114 /nfs/dbraw/zinc/00/61/14/172006114.db2.gz LZJFEHFMDCTESR-LURJTMIESA-N 1 2 213.306 0.841 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCO)n1C ZINC000303262421 172048357 /nfs/dbraw/zinc/04/83/57/172048357.db2.gz PRPYFTYDSSKRBB-UHFFFAOYSA-N 1 2 212.297 0.192 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCO)n1C ZINC000303262421 172048361 /nfs/dbraw/zinc/04/83/61/172048361.db2.gz PRPYFTYDSSKRBB-UHFFFAOYSA-N 1 2 212.297 0.192 20 0 BCADLO CCc1nnc([C@@H]2C[N@H+](CCOC)CCO2)o1 ZINC000331343016 172066473 /nfs/dbraw/zinc/06/64/73/172066473.db2.gz ZBSSTNXUTFCRAF-VIFPVBQESA-N 1 2 241.291 0.652 20 0 BCADLO CCc1nnc([C@@H]2C[N@@H+](CCOC)CCO2)o1 ZINC000331343016 172066474 /nfs/dbraw/zinc/06/64/74/172066474.db2.gz ZBSSTNXUTFCRAF-VIFPVBQESA-N 1 2 241.291 0.652 20 0 BCADLO CCc1noc(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000340217382 172076084 /nfs/dbraw/zinc/07/60/84/172076084.db2.gz BTLJUKFIGGOATP-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO CCc1noc(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340217382 172076087 /nfs/dbraw/zinc/07/60/87/172076087.db2.gz BTLJUKFIGGOATP-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO CCc1noc([C@H](C)[N@H+](C)CCC(=O)NC)n1 ZINC000170793120 172090980 /nfs/dbraw/zinc/09/09/80/172090980.db2.gz DTLCWUWOGYYVEY-QMMMGPOBSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1noc([C@H](C)[N@@H+](C)CCC(=O)NC)n1 ZINC000170793120 172090983 /nfs/dbraw/zinc/09/09/83/172090983.db2.gz DTLCWUWOGYYVEY-QMMMGPOBSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H]1CCNC1=O ZINC000293467905 172094917 /nfs/dbraw/zinc/09/49/17/172094917.db2.gz QREIHVHJDHWJDF-JTQLQIEISA-N 1 2 223.276 0.557 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000293467905 172094919 /nfs/dbraw/zinc/09/49/19/172094919.db2.gz QREIHVHJDHWJDF-JTQLQIEISA-N 1 2 223.276 0.557 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)C1(CO)CC1 ZINC000331492956 172139731 /nfs/dbraw/zinc/13/97/31/172139731.db2.gz NEAWIFOEONSKGD-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)C1(CO)CC1 ZINC000331492956 172139732 /nfs/dbraw/zinc/13/97/32/172139732.db2.gz NEAWIFOEONSKGD-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1cc(CC[N@H+](C)[C@@H](C)C(=O)OC)cn1 ZINC000284824961 172159309 /nfs/dbraw/zinc/15/93/09/172159309.db2.gz AISICTPSPDOUTF-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO CCn1cc(CC[N@@H+](C)[C@@H](C)C(=O)OC)cn1 ZINC000284824961 172159311 /nfs/dbraw/zinc/15/93/11/172159311.db2.gz AISICTPSPDOUTF-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000172161437 172160886 /nfs/dbraw/zinc/16/08/86/172160886.db2.gz DEMLQEUYTBMGPA-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000172161437 172160888 /nfs/dbraw/zinc/16/08/88/172160888.db2.gz DEMLQEUYTBMGPA-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000191781520 172167603 /nfs/dbraw/zinc/16/76/03/172167603.db2.gz LANDJIYBMRJLAX-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000191781520 172167605 /nfs/dbraw/zinc/16/76/05/172167605.db2.gz LANDJIYBMRJLAX-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000362820513 172215798 /nfs/dbraw/zinc/21/57/98/172215798.db2.gz OKOLYLSUKOYHSC-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1ccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000362820513 172215800 /nfs/dbraw/zinc/21/58/00/172215800.db2.gz OKOLYLSUKOYHSC-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1ccnc1C(=O)NCCn1cc[nH+]c1 ZINC000291553399 172216279 /nfs/dbraw/zinc/21/62/79/172216279.db2.gz WWFYGHRKLXPFAE-UHFFFAOYSA-N 1 2 233.275 0.530 20 0 BCADLO CCn1cc[nH+]c1CN1CC[C@@](F)(CO)C1 ZINC000338584513 172220766 /nfs/dbraw/zinc/22/07/66/172220766.db2.gz CXGWHHCOOZYYSK-NSHDSACASA-N 1 2 227.283 0.809 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)n[nH]1 ZINC000295751313 172222423 /nfs/dbraw/zinc/22/24/23/172222423.db2.gz NIPBNOGUDYWFIA-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(N)=O ZINC000280701236 172230015 /nfs/dbraw/zinc/23/00/15/172230015.db2.gz ANHZJOWASGARGY-JTQLQIEISA-N 1 2 236.319 0.915 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000293144336 172243966 /nfs/dbraw/zinc/24/39/66/172243966.db2.gz GZQDNZZWKZLZKW-UHFFFAOYSA-N 1 2 248.290 0.568 20 0 BCADLO CCn1nccc1CC[NH2+]C(C)(C)C(=O)OC ZINC000284317126 172261783 /nfs/dbraw/zinc/26/17/83/172261783.db2.gz HRJYZPUABJOGPZ-UHFFFAOYSA-N 1 2 239.319 0.987 20 0 BCADLO CCn1nccc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000162041321 172267606 /nfs/dbraw/zinc/26/76/06/172267606.db2.gz MFURUSDINWMRFW-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO CCn1nccc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000162041321 172267607 /nfs/dbraw/zinc/26/76/07/172267607.db2.gz MFURUSDINWMRFW-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000339001130 172269598 /nfs/dbraw/zinc/26/95/98/172269598.db2.gz ZWFLJTLPLOGUCB-LLVKDONJSA-N 1 2 227.283 0.809 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000339001130 172269601 /nfs/dbraw/zinc/26/96/01/172269601.db2.gz ZWFLJTLPLOGUCB-LLVKDONJSA-N 1 2 227.283 0.809 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC1(CO)CC1 ZINC000331989154 172278193 /nfs/dbraw/zinc/27/81/93/172278193.db2.gz YPJFKBBKJGHUNB-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC1(CO)CC1 ZINC000331989154 172278195 /nfs/dbraw/zinc/27/81/95/172278195.db2.gz YPJFKBBKJGHUNB-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H](C)OC ZINC000353253844 172279057 /nfs/dbraw/zinc/27/90/57/172279057.db2.gz MPPURLQKKIHIJT-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H](C)OC ZINC000353253844 172279059 /nfs/dbraw/zinc/27/90/59/172279059.db2.gz MPPURLQKKIHIJT-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332741836 172280123 /nfs/dbraw/zinc/28/01/23/172280123.db2.gz ZRJCNPLSEXXXHY-BDAKNGLRSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332741836 172280127 /nfs/dbraw/zinc/28/01/27/172280127.db2.gz ZRJCNPLSEXXXHY-BDAKNGLRSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000193425571 172281491 /nfs/dbraw/zinc/28/14/91/172281491.db2.gz QGDMLTOCEUZIIG-VIFPVBQESA-N 1 2 239.323 0.288 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000284145454 172293682 /nfs/dbraw/zinc/29/36/82/172293682.db2.gz WGJVEQIDIVCCMG-VMZHVLLKSA-N 1 2 221.260 0.670 20 0 BCADLO CN(C(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000336536712 172297160 /nfs/dbraw/zinc/29/71/60/172297160.db2.gz IXGOPONJPRFVGJ-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CN(C)[C@H](C(=O)N(C)C1CC1)c1c[nH+]cn1C ZINC000280883886 172331701 /nfs/dbraw/zinc/33/17/01/172331701.db2.gz YXRJNDUXMKIHMB-NSHDSACASA-N 1 2 236.319 0.644 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCOC1 ZINC000364948204 172334301 /nfs/dbraw/zinc/33/43/01/172334301.db2.gz JWNUBHGLIDJNLU-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C)C(=O)CCNc1[nH+]cnc2c1cnn2C ZINC000037752237 172361220 /nfs/dbraw/zinc/36/12/20/172361220.db2.gz NIKIRIDXVUYLHU-UHFFFAOYSA-N 1 2 248.290 0.254 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1nccn1C ZINC000378371651 172366227 /nfs/dbraw/zinc/36/62/27/172366227.db2.gz SLHRQUKBFJKHMM-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1nccn1C ZINC000378371651 172366228 /nfs/dbraw/zinc/36/62/28/172366228.db2.gz SLHRQUKBFJKHMM-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000293647747 172370473 /nfs/dbraw/zinc/37/04/73/172370473.db2.gz OOAZGOGWNSDNKB-UHFFFAOYSA-N 1 2 244.241 0.848 20 0 BCADLO CN(C)c1cccnc1C[NH2+]Cc1cnn(C)n1 ZINC000292881169 172572757 /nfs/dbraw/zinc/57/27/57/172572757.db2.gz DYHZEXBXQCYOQQ-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO C[N@@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000080153389 173014218 /nfs/dbraw/zinc/01/42/18/173014218.db2.gz IYLCPBHCKVTBLZ-UHFFFAOYSA-N 1 2 226.305 0.316 20 0 BCADLO C[N@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000080153389 173014220 /nfs/dbraw/zinc/01/42/20/173014220.db2.gz IYLCPBHCKVTBLZ-UHFFFAOYSA-N 1 2 226.305 0.316 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268934253 173025367 /nfs/dbraw/zinc/02/53/67/173025367.db2.gz FUQNQGAORNGIJH-GHMZBOCLSA-N 1 2 248.330 0.998 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268934253 173025372 /nfs/dbraw/zinc/02/53/72/173025372.db2.gz FUQNQGAORNGIJH-GHMZBOCLSA-N 1 2 248.330 0.998 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000333299603 173071712 /nfs/dbraw/zinc/07/17/12/173071712.db2.gz LQMPPCNUHHJUSW-UHFFFAOYSA-N 1 2 244.298 0.902 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000292603374 173072162 /nfs/dbraw/zinc/07/21/62/173072162.db2.gz GGDZYDKIEVQQJF-UHFFFAOYSA-N 1 2 211.240 0.541 20 0 BCADLO C[NH+]1CCN(C(=O)c2cncs2)CC1 ZINC000082303359 173072723 /nfs/dbraw/zinc/07/27/23/173072723.db2.gz XLXPJCKCWGTZRH-UHFFFAOYSA-N 1 2 211.290 0.531 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc(F)n2)CC1 ZINC000122937087 173073045 /nfs/dbraw/zinc/07/30/45/173073045.db2.gz RDBXWGYGQCINNX-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC000288180702 173074230 /nfs/dbraw/zinc/07/42/30/173074230.db2.gz DAOZYPPOPBCBER-UHFFFAOYSA-N 1 2 240.282 0.240 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000292679634 173074354 /nfs/dbraw/zinc/07/43/54/173074354.db2.gz MFLMBFXEKGFORT-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO CN(CC[N@@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000131857554 173082860 /nfs/dbraw/zinc/08/28/60/173082860.db2.gz JRDZKKZRIFYQBX-UHFFFAOYSA-N 1 2 247.342 0.897 20 0 BCADLO CN(CC[N@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000131857554 173082862 /nfs/dbraw/zinc/08/28/62/173082862.db2.gz JRDZKKZRIFYQBX-UHFFFAOYSA-N 1 2 247.342 0.897 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000193972970 173085232 /nfs/dbraw/zinc/08/52/32/173085232.db2.gz SSJNXGAYIKCBOH-JTQLQIEISA-N 1 2 210.277 0.453 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000193972970 173085237 /nfs/dbraw/zinc/08/52/37/173085237.db2.gz SSJNXGAYIKCBOH-JTQLQIEISA-N 1 2 210.277 0.453 20 0 BCADLO CN1CC[N@H+](Cc2ccc3c(c2)CCO3)CC1=O ZINC000119427602 173086982 /nfs/dbraw/zinc/08/69/82/173086982.db2.gz IDKJZRXJNQOHRL-UHFFFAOYSA-N 1 2 246.310 0.896 20 0 BCADLO CN1CC[N@@H+](Cc2ccc3c(c2)CCO3)CC1=O ZINC000119427602 173086984 /nfs/dbraw/zinc/08/69/84/173086984.db2.gz IDKJZRXJNQOHRL-UHFFFAOYSA-N 1 2 246.310 0.896 20 0 BCADLO CN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000058083013 173090785 /nfs/dbraw/zinc/09/07/85/173090785.db2.gz WFQDTXSKFZKYDD-UHFFFAOYSA-N 1 2 212.322 0.473 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000335558256 173092487 /nfs/dbraw/zinc/09/24/87/173092487.db2.gz RTYOGHLRJSPPEM-UHFFFAOYSA-N 1 2 246.376 0.754 20 0 BCADLO CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1=O ZINC000134994054 173096264 /nfs/dbraw/zinc/09/62/64/173096264.db2.gz KXUQTCAVBREMHF-UHFFFAOYSA-N 1 2 230.271 0.841 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccn2)C1 ZINC000173789566 173101083 /nfs/dbraw/zinc/10/10/83/173101083.db2.gz FFOSOWLTQAADAE-SECBINFHSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccccn2)C1 ZINC000173789566 173101086 /nfs/dbraw/zinc/10/10/86/173101086.db2.gz FFOSOWLTQAADAE-SECBINFHSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC000331179977 173102031 /nfs/dbraw/zinc/10/20/31/173102031.db2.gz RCHXAEDMVKCYCA-VIFPVBQESA-N 1 2 243.307 0.139 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC000331179977 173102032 /nfs/dbraw/zinc/10/20/32/173102032.db2.gz RCHXAEDMVKCYCA-VIFPVBQESA-N 1 2 243.307 0.139 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000151424717 173103400 /nfs/dbraw/zinc/10/34/00/173103400.db2.gz UPBWORRUULXIOT-NSHDSACASA-N 1 2 224.304 0.399 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000151424717 173103402 /nfs/dbraw/zinc/10/34/02/173103402.db2.gz UPBWORRUULXIOT-NSHDSACASA-N 1 2 224.304 0.399 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC2(C)C)C1 ZINC000332789752 173103638 /nfs/dbraw/zinc/10/36/38/173103638.db2.gz UJULQZLRWKVEOP-UWVGGRQHSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC2(C)C)C1 ZINC000332789752 173103640 /nfs/dbraw/zinc/10/36/40/173103640.db2.gz UJULQZLRWKVEOP-UWVGGRQHSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccncc2)C1 ZINC000272342207 173107594 /nfs/dbraw/zinc/10/75/94/173107594.db2.gz AQTROTALULHFJS-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccncc2)C1 ZINC000272342207 173107597 /nfs/dbraw/zinc/10/75/97/173107597.db2.gz AQTROTALULHFJS-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ncccn2)C1 ZINC000082643952 173108763 /nfs/dbraw/zinc/10/87/63/173108763.db2.gz XKUCEFFQTGISBL-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ncccn2)C1 ZINC000082643952 173108764 /nfs/dbraw/zinc/10/87/64/173108764.db2.gz XKUCEFFQTGISBL-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000172574045 173119487 /nfs/dbraw/zinc/11/94/87/173119487.db2.gz IYIQJDHOAZXOHG-LLVKDONJSA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000172574045 173119489 /nfs/dbraw/zinc/11/94/89/173119489.db2.gz IYIQJDHOAZXOHG-LLVKDONJSA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000336274759 173119841 /nfs/dbraw/zinc/11/98/41/173119841.db2.gz WVCGCYRAMYDWJS-GHMZBOCLSA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000336274759 173119843 /nfs/dbraw/zinc/11/98/43/173119843.db2.gz WVCGCYRAMYDWJS-GHMZBOCLSA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000172574043 173148605 /nfs/dbraw/zinc/14/86/05/173148605.db2.gz IYIQJDHOAZXOHG-NSHDSACASA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000172574043 173148608 /nfs/dbraw/zinc/14/86/08/173148608.db2.gz IYIQJDHOAZXOHG-NSHDSACASA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328639185 173148772 /nfs/dbraw/zinc/14/87/72/173148772.db2.gz DPTWBWDDXQWWCL-BDAKNGLRSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328639185 173148774 /nfs/dbraw/zinc/14/87/74/173148774.db2.gz DPTWBWDDXQWWCL-BDAKNGLRSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@H]([N@H+](CCO)Cc2cccnc2)C1=O ZINC000268725427 173149519 /nfs/dbraw/zinc/14/95/19/173149519.db2.gz WMTMOOVNJKEPIL-LBPRGKRZSA-N 1 2 249.314 0.107 20 0 BCADLO CN1CC[C@H]([N@@H+](CCO)Cc2cccnc2)C1=O ZINC000268725427 173149522 /nfs/dbraw/zinc/14/95/22/173149522.db2.gz WMTMOOVNJKEPIL-LBPRGKRZSA-N 1 2 249.314 0.107 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000336274761 173150157 /nfs/dbraw/zinc/15/01/57/173150157.db2.gz WVCGCYRAMYDWJS-QWRGUYRKSA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000336274761 173150159 /nfs/dbraw/zinc/15/01/59/173150159.db2.gz WVCGCYRAMYDWJS-QWRGUYRKSA-N 1 2 224.304 0.328 20 0 BCADLO CNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285249260 173216037 /nfs/dbraw/zinc/21/60/37/173216037.db2.gz OHSKMRZACRIQKY-UHFFFAOYSA-N 1 2 246.270 0.005 20 0 BCADLO CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000375081216 173217095 /nfs/dbraw/zinc/21/70/95/173217095.db2.gz PASUDWFZKSWPEL-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375081216 173217097 /nfs/dbraw/zinc/21/70/97/173217097.db2.gz PASUDWFZKSWPEL-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO CNC(=O)C1C[NH+](Cc2nccn2C(C)C)C1 ZINC000285025060 173227949 /nfs/dbraw/zinc/22/79/49/173227949.db2.gz MRETUMXFRULYSJ-UHFFFAOYSA-N 1 2 236.319 0.642 20 0 BCADLO CNC(=O)C1CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000285025060 173227952 /nfs/dbraw/zinc/22/79/52/173227952.db2.gz MRETUMXFRULYSJ-UHFFFAOYSA-N 1 2 236.319 0.642 20 0 BCADLO CNC(=O)C1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000302206104 173228276 /nfs/dbraw/zinc/22/82/76/173228276.db2.gz KEWSEYSKRMFJTR-UHFFFAOYSA-N 1 2 234.303 0.584 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000330855028 173248957 /nfs/dbraw/zinc/24/89/57/173248957.db2.gz RSNGQUGOFYWYFL-ZETCQYMHSA-N 1 2 242.348 0.975 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000330855028 173248958 /nfs/dbraw/zinc/24/89/58/173248958.db2.gz RSNGQUGOFYWYFL-ZETCQYMHSA-N 1 2 242.348 0.975 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cnns1 ZINC000330802486 173250849 /nfs/dbraw/zinc/25/08/49/173250849.db2.gz ATOXNELBXZTQHD-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cnns1 ZINC000330802486 173250851 /nfs/dbraw/zinc/25/08/51/173250851.db2.gz ATOXNELBXZTQHD-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000133493260 173267192 /nfs/dbraw/zinc/26/71/92/173267192.db2.gz UBNRUTJLTGDWTN-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000133493260 173267194 /nfs/dbraw/zinc/26/71/94/173267194.db2.gz UBNRUTJLTGDWTN-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180434377 173269718 /nfs/dbraw/zinc/26/97/18/173269718.db2.gz FJDGVJCWLRKTCG-QMMMGPOBSA-N 1 2 210.281 0.159 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180434377 173269720 /nfs/dbraw/zinc/26/97/20/173269720.db2.gz FJDGVJCWLRKTCG-QMMMGPOBSA-N 1 2 210.281 0.159 20 0 BCADLO CNC(=O)CN(C)Cc1[nH+]ccn1C(C)C ZINC000267728553 173269786 /nfs/dbraw/zinc/26/97/86/173269786.db2.gz ZTLOORZPNHASNL-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(C)nc1C ZINC000359847928 173269935 /nfs/dbraw/zinc/26/99/35/173269935.db2.gz RSTRGAJFYWEEOY-UHFFFAOYSA-N 1 2 221.304 0.876 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)nc1C ZINC000359847928 173269940 /nfs/dbraw/zinc/26/99/40/173269940.db2.gz RSTRGAJFYWEEOY-UHFFFAOYSA-N 1 2 221.304 0.876 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(Cl)n1 ZINC000085696738 173270189 /nfs/dbraw/zinc/27/01/89/173270189.db2.gz JNONDVGYOSHEEF-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(Cl)n1 ZINC000085696738 173270191 /nfs/dbraw/zinc/27/01/91/173270191.db2.gz JNONDVGYOSHEEF-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000270780982 173270688 /nfs/dbraw/zinc/27/06/88/173270688.db2.gz OUHJFAPVLKRLKV-SECBINFHSA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000270780982 173270691 /nfs/dbraw/zinc/27/06/91/173270691.db2.gz OUHJFAPVLKRLKV-SECBINFHSA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)CN(C)c1[nH+]c2ccccc2n1C ZINC000269117269 173271535 /nfs/dbraw/zinc/27/15/35/173271535.db2.gz DHEKOBLPVJVIAQ-UHFFFAOYSA-N 1 2 232.287 0.756 20 0 BCADLO CNC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000361511076 173273402 /nfs/dbraw/zinc/27/34/02/173273402.db2.gz ODPIHSKOUTVODP-UHFFFAOYSA-N 1 2 226.276 0.128 20 0 BCADLO CNC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000361511076 173273403 /nfs/dbraw/zinc/27/34/03/173273403.db2.gz ODPIHSKOUTVODP-UHFFFAOYSA-N 1 2 226.276 0.128 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000131418956 173274847 /nfs/dbraw/zinc/27/48/47/173274847.db2.gz WVYGNTONMRRCRC-UHFFFAOYSA-N 1 2 239.344 0.616 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369282714 173275164 /nfs/dbraw/zinc/27/51/64/173275164.db2.gz IPGHCGIQBGIZEN-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369282714 173275165 /nfs/dbraw/zinc/27/51/65/173275165.db2.gz IPGHCGIQBGIZEN-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336329668 173275201 /nfs/dbraw/zinc/27/52/01/173275201.db2.gz WDYCABIELAMATJ-UHFFFAOYSA-N 1 2 220.272 0.496 20 0 BCADLO CNC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000336329668 173275202 /nfs/dbraw/zinc/27/52/02/173275202.db2.gz WDYCABIELAMATJ-UHFFFAOYSA-N 1 2 220.272 0.496 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366582512 173275417 /nfs/dbraw/zinc/27/54/17/173275417.db2.gz BRKMQKNOPYMCTC-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366582512 173275418 /nfs/dbraw/zinc/27/54/18/173275418.db2.gz BRKMQKNOPYMCTC-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[NH2+]Cc1cccc(O)c1Cl ZINC000293952351 173277663 /nfs/dbraw/zinc/27/76/63/173277663.db2.gz BUMWEUZSRAIVNV-UHFFFAOYSA-N 1 2 228.679 0.881 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000271418912 173285542 /nfs/dbraw/zinc/28/55/42/173285542.db2.gz XUCZDZVETFNUCZ-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308723423 173288612 /nfs/dbraw/zinc/28/86/12/173288612.db2.gz RVXOXLPFJVDKGZ-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000309225364 173295062 /nfs/dbraw/zinc/29/50/62/173295062.db2.gz RRIJEIBJEDPZRH-MRVPVSSYSA-N 1 2 225.296 0.083 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000092097151 173298507 /nfs/dbraw/zinc/29/85/07/173298507.db2.gz JDRCSWCXDPGBTG-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000092097151 173298508 /nfs/dbraw/zinc/29/85/08/173298508.db2.gz JDRCSWCXDPGBTG-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000272739283 173300053 /nfs/dbraw/zinc/30/00/53/173300053.db2.gz KNDSEFWZJDTXDU-NSHDSACASA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000272739283 173300054 /nfs/dbraw/zinc/30/00/54/173300054.db2.gz KNDSEFWZJDTXDU-NSHDSACASA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000184087992 173300095 /nfs/dbraw/zinc/30/00/95/173300095.db2.gz MTSPVJGGKAUDJR-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO 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/nfs/dbraw/zinc/35/18/78/174351878.db2.gz MIRIYVXSYZOQJS-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO COCCOCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000336690689 174351879 /nfs/dbraw/zinc/35/18/79/174351879.db2.gz MIRIYVXSYZOQJS-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO COCCOCC[N@H+](C)Cc1nccc(C)n1 ZINC000336688956 174352542 /nfs/dbraw/zinc/35/25/42/174352542.db2.gz HCCJIQSQLLNWRK-UHFFFAOYSA-N 1 2 239.319 0.880 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nccc(C)n1 ZINC000336688956 174352543 /nfs/dbraw/zinc/35/25/43/174352543.db2.gz HCCJIQSQLLNWRK-UHFFFAOYSA-N 1 2 239.319 0.880 20 0 BCADLO COCCOCC[N@H+](C)Cc1cn[nH]c1C ZINC000290074154 174352744 /nfs/dbraw/zinc/35/27/44/174352744.db2.gz GASFMWZTIBHETR-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@@H+](C)Cc1cn[nH]c1C ZINC000290074154 174352746 /nfs/dbraw/zinc/35/27/46/174352746.db2.gz GASFMWZTIBHETR-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368334370 174355416 /nfs/dbraw/zinc/35/54/16/174355416.db2.gz WCUPMGMJSVBRSR-ZJUUUORDSA-N 1 2 201.266 0.123 20 0 BCADLO COCCOCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368334370 174355418 /nfs/dbraw/zinc/35/54/18/174355418.db2.gz WCUPMGMJSVBRSR-ZJUUUORDSA-N 1 2 201.266 0.123 20 0 BCADLO COCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283507836 174355486 /nfs/dbraw/zinc/35/54/86/174355486.db2.gz PNUAOCOLFFPBMW-NSCUHMNNSA-N 1 2 239.275 0.202 20 0 BCADLO COCCOCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362078120 174355624 /nfs/dbraw/zinc/35/56/24/174355624.db2.gz PSBNERMCGRUDEY-CDMJZVDBSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362078120 174355627 /nfs/dbraw/zinc/35/56/27/174355627.db2.gz PSBNERMCGRUDEY-CDMJZVDBSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCCNc1nc[nH+]c(N)c1Cl ZINC000234680031 174359765 /nfs/dbraw/zinc/35/97/65/174359765.db2.gz FRDHURWCWCWUMB-UHFFFAOYSA-N 1 2 246.698 0.787 20 0 BCADLO COCCOCCNc1[nH+]cnc(N)c1Cl ZINC000234680031 174359766 /nfs/dbraw/zinc/35/97/66/174359766.db2.gz FRDHURWCWCWUMB-UHFFFAOYSA-N 1 2 246.698 0.787 20 0 BCADLO COCCOC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000358812682 174361980 /nfs/dbraw/zinc/36/19/80/174361980.db2.gz LGBWSPQATNNEHS-KOLCDFICSA-N 1 2 245.319 0.579 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000332681927 174365323 /nfs/dbraw/zinc/36/53/23/174365323.db2.gz TVLUWKFZNLNDMW-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000332681927 174365324 /nfs/dbraw/zinc/36/53/24/174365324.db2.gz TVLUWKFZNLNDMW-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000188812643 174365630 /nfs/dbraw/zinc/36/56/30/174365630.db2.gz HUOOGITYLJYREN-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000188812643 174365631 /nfs/dbraw/zinc/36/56/31/174365631.db2.gz HUOOGITYLJYREN-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[C@@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000336775413 174395393 /nfs/dbraw/zinc/39/53/93/174395393.db2.gz YYGZWIPBTKZHQC-MRVPVSSYSA-N 1 2 224.264 0.087 20 0 BCADLO COCC[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000230905037 174420861 /nfs/dbraw/zinc/42/08/61/174420861.db2.gz AOFQWNPLBZZAMB-NSHDSACASA-N 1 2 225.292 0.984 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364386871 174455324 /nfs/dbraw/zinc/45/53/24/174455324.db2.gz FRIYGRPWPLRZFF-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C1CC1)C(=O)OC ZINC000336667095 174488001 /nfs/dbraw/zinc/48/80/01/174488001.db2.gz VYFJVYCWPFYKKV-VXNVDRBHSA-N 1 2 201.266 0.563 20 0 BCADLO COC[C@@](C)([NH2+]C[C@@H]1CCOC1)C(=O)OC ZINC000336775143 174522713 /nfs/dbraw/zinc/52/27/13/174522713.db2.gz YEWTVINUOQRFFL-GXSJLCMTSA-N 1 2 231.292 0.191 20 0 BCADLO COc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000085485007 175002214 /nfs/dbraw/zinc/00/22/14/175002214.db2.gz RALHJJRDPDJINU-UHFFFAOYSA-N 1 2 219.248 0.794 20 0 BCADLO COc1ccc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000336889987 175057929 /nfs/dbraw/zinc/05/79/29/175057929.db2.gz GXXSGGLVBRCIFO-UHFFFAOYSA-N 1 2 245.238 0.865 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000338313057 175096153 /nfs/dbraw/zinc/09/61/53/175096153.db2.gz HIRVQBHBBWPHAT-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000338313057 175096155 /nfs/dbraw/zinc/09/61/55/175096155.db2.gz HIRVQBHBBWPHAT-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)nc1 ZINC000272124001 175099357 /nfs/dbraw/zinc/09/93/57/175099357.db2.gz QQKJMRNSHNNNBT-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000338263399 175100076 /nfs/dbraw/zinc/10/00/76/175100076.db2.gz LBGAUAIRTXGIPS-NSHDSACASA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000338263399 175100078 /nfs/dbraw/zinc/10/00/78/175100078.db2.gz LBGAUAIRTXGIPS-NSHDSACASA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccccc1C[N@H+](C)CC(N)=O ZINC000015296229 175324735 /nfs/dbraw/zinc/32/47/35/175324735.db2.gz AOLGRICHTGTGKG-UHFFFAOYSA-N 1 2 208.261 0.612 20 0 BCADLO COc1ccccc1C[N@@H+](C)CC(N)=O ZINC000015296229 175324738 /nfs/dbraw/zinc/32/47/38/175324738.db2.gz AOLGRICHTGTGKG-UHFFFAOYSA-N 1 2 208.261 0.612 20 0 BCADLO COc1ccnc(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000264370761 175358981 /nfs/dbraw/zinc/35/89/81/175358981.db2.gz AJJFYYZNGYXQCW-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ccnc(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000264370761 175358984 /nfs/dbraw/zinc/35/89/84/175358984.db2.gz AJJFYYZNGYXQCW-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cc[nH+]c(CN(CC(N)=O)C(C)C)c1 ZINC000264370761 175358986 /nfs/dbraw/zinc/35/89/86/175358986.db2.gz AJJFYYZNGYXQCW-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cc[nH+]c(CN2CCCC[C@H]2C(N)=O)c1 ZINC000113499410 175359298 /nfs/dbraw/zinc/35/92/98/175359298.db2.gz ZWYDSQYTDAETBD-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccnc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000113499410 175359300 /nfs/dbraw/zinc/35/93/00/175359300.db2.gz ZWYDSQYTDAETBD-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccnc(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000113499410 175359302 /nfs/dbraw/zinc/35/93/02/175359302.db2.gz ZWYDSQYTDAETBD-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)O ZINC000293638143 175372364 /nfs/dbraw/zinc/37/23/64/175372364.db2.gz ADTMZMVHIHZQFM-SSDOTTSWSA-N 1 2 210.233 0.087 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H](C)CC(N)=O ZINC000282900972 175374312 /nfs/dbraw/zinc/37/43/12/175374312.db2.gz CQUXUBIBXVQJHF-SSDOTTSWSA-N 1 2 237.259 0.540 20 0 BCADLO COc1ccncc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000237115267 175374910 /nfs/dbraw/zinc/37/49/10/175374910.db2.gz MBTBXTLUMNZORO-MRVPVSSYSA-N 1 2 239.300 0.691 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1nnn(C)c1C ZINC000265876002 175376286 /nfs/dbraw/zinc/37/62/86/175376286.db2.gz IAYBMDKRTOPSNY-UHFFFAOYSA-N 1 2 247.258 0.779 20 0 BCADLO COc1cnc(NCc2c[nH+]cn2C)nc1 ZINC000283710312 175382065 /nfs/dbraw/zinc/38/20/65/175382065.db2.gz AAAXZHYLDQZZJA-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO COc1cncc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000277357394 175383526 /nfs/dbraw/zinc/38/35/26/175383526.db2.gz XYYQADJPVIFHBA-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cncc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000290354775 175383832 /nfs/dbraw/zinc/38/38/32/175383832.db2.gz QIVARHAVCDHSDG-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000290354775 175383834 /nfs/dbraw/zinc/38/38/34/175383834.db2.gz QIVARHAVCDHSDG-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cncc(C[N@H+](C)CC(=O)NC2CC2)c1 ZINC000289855271 175384145 /nfs/dbraw/zinc/38/41/45/175384145.db2.gz BJXOBGGVDNWWLT-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cncc(C[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000289855271 175384148 /nfs/dbraw/zinc/38/41/48/175384148.db2.gz BJXOBGGVDNWWLT-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@H](CCCO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360815224 175667608 /nfs/dbraw/zinc/66/76/08/175667608.db2.gz BYMVFNWKPVVJSX-YUMQZZPRSA-N 1 2 236.262 0.261 20 0 BCADLO C[C@@H](NC(=O)NCCF)[C@@H](C)[NH+]1CCOCC1 ZINC000334086682 175839190 /nfs/dbraw/zinc/83/91/90/175839190.db2.gz GHLGVKSCROEWLR-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000128249914 175952543 /nfs/dbraw/zinc/95/25/43/175952543.db2.gz HRRBJOOTKNBEPC-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000355126987 176011122 /nfs/dbraw/zinc/01/11/22/176011122.db2.gz AGTFQXRICCFIGM-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330867031 176026923 /nfs/dbraw/zinc/02/69/23/176026923.db2.gz XUAHLDPRQJKJTD-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330867031 176026924 /nfs/dbraw/zinc/02/69/24/176026924.db2.gz XUAHLDPRQJKJTD-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cscn1 ZINC000283899572 176045960 /nfs/dbraw/zinc/04/59/60/176045960.db2.gz FPGPASPWSALXPZ-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cscn1 ZINC000283899572 176045961 /nfs/dbraw/zinc/04/59/61/176045961.db2.gz FPGPASPWSALXPZ-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000112690941 176046128 /nfs/dbraw/zinc/04/61/28/176046128.db2.gz NNFWOCBQCBXQFK-SECBINFHSA-N 1 2 205.261 0.402 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000112690941 176046129 /nfs/dbraw/zinc/04/61/29/176046129.db2.gz NNFWOCBQCBXQFK-SECBINFHSA-N 1 2 205.261 0.402 20 0 BCADLO C[C@@H]1CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000336646200 176048875 /nfs/dbraw/zinc/04/88/75/176048875.db2.gz JRWBCPCRTUWCFA-SSDOTTSWSA-N 1 2 207.233 0.315 20 0 BCADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CO ZINC000226335856 176155124 /nfs/dbraw/zinc/15/51/24/176155124.db2.gz QNENWONVKBKXJF-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341114674 176178482 /nfs/dbraw/zinc/17/84/82/176178482.db2.gz CGWLBOIOJHTULO-SFYZADRCSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341114674 176178483 /nfs/dbraw/zinc/17/84/83/176178483.db2.gz CGWLBOIOJHTULO-SFYZADRCSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1csnn1 ZINC000328676393 176183209 /nfs/dbraw/zinc/18/32/09/176183209.db2.gz RQSYXGIISSLZFM-HTRCEHHLSA-N 1 2 226.305 0.993 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000373932715 176191420 /nfs/dbraw/zinc/19/14/20/176191420.db2.gz ZJOVZLLNEOQAJV-SCVCMEIPSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2nnnn2C)O1 ZINC000336668696 176202181 /nfs/dbraw/zinc/20/21/81/176202181.db2.gz QEOQZXPOSKZSIZ-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)O1 ZINC000336668696 176202182 /nfs/dbraw/zinc/20/21/82/176202182.db2.gz QEOQZXPOSKZSIZ-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000336591814 176219739 /nfs/dbraw/zinc/21/97/39/176219739.db2.gz UGYODXQURFJHIR-MWLCHTKSSA-N 1 2 235.287 0.793 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)O1 ZINC000122117667 176220660 /nfs/dbraw/zinc/22/06/60/176220660.db2.gz AUYDTNPOMTWKTA-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1CO ZINC000282955959 176241316 /nfs/dbraw/zinc/24/13/16/176241316.db2.gz DICRKTJSXRDENN-NBYFHADBSA-N 1 2 235.287 0.510 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C2CC2)O1 ZINC000279529485 176249645 /nfs/dbraw/zinc/24/96/45/176249645.db2.gz ADWSGVWWPPQELU-PWSUYJOCSA-N 1 2 249.314 0.909 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000371482863 176255293 /nfs/dbraw/zinc/25/52/93/176255293.db2.gz LCCXXIKDHUNUMG-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000357804020 176258144 /nfs/dbraw/zinc/25/81/44/176258144.db2.gz LZGBVSNRUGUTRQ-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CC[NH2+]1 ZINC000189005172 176261385 /nfs/dbraw/zinc/26/13/85/176261385.db2.gz QFWCDEZHDVJXOR-MRVPVSSYSA-N 1 2 245.286 0.392 20 0 BCADLO C[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000337210019 176290531 /nfs/dbraw/zinc/29/05/31/176290531.db2.gz BTWBZVONOSZINA-UPJWGTAASA-N 1 2 240.347 0.570 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000337210019 176290533 /nfs/dbraw/zinc/29/05/33/176290533.db2.gz BTWBZVONOSZINA-UPJWGTAASA-N 1 2 240.347 0.570 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2c[nH]nn2)CCO1 ZINC000331336336 176293017 /nfs/dbraw/zinc/29/30/17/176293017.db2.gz IVUQCSWEHVRJFE-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2c[nH]nn2)CCO1 ZINC000331336336 176293019 /nfs/dbraw/zinc/29/30/19/176293019.db2.gz IVUQCSWEHVRJFE-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2cn[nH]n2)CCO1 ZINC000331336336 176293020 /nfs/dbraw/zinc/29/30/20/176293020.db2.gz IVUQCSWEHVRJFE-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2cn[nH]n2)CCO1 ZINC000331336336 176293022 /nfs/dbraw/zinc/29/30/22/176293022.db2.gz IVUQCSWEHVRJFE-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccnn2C)CC(=O)N1C ZINC000282997403 176293848 /nfs/dbraw/zinc/29/38/48/176293848.db2.gz GJVWWRPDBJXMIJ-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccnn2C)CC(=O)N1C ZINC000282997403 176293849 /nfs/dbraw/zinc/29/38/49/176293849.db2.gz GJVWWRPDBJXMIJ-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cncn2)CCC1=O ZINC000283321193 176296116 /nfs/dbraw/zinc/29/61/16/176296116.db2.gz YODXKUUFAIOKGI-SECBINFHSA-N 1 2 208.265 0.189 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cncn2)CCC1=O ZINC000283321193 176296117 /nfs/dbraw/zinc/29/61/17/176296117.db2.gz YODXKUUFAIOKGI-SECBINFHSA-N 1 2 208.265 0.189 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[S@@]1=O ZINC000339004037 176297860 /nfs/dbraw/zinc/29/78/60/176297860.db2.gz PRMYRQNSEILFER-BFVZDQMLSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[S@@]1=O ZINC000339004037 176297861 /nfs/dbraw/zinc/29/78/61/176297861.db2.gz PRMYRQNSEILFER-BFVZDQMLSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236694 176299802 /nfs/dbraw/zinc/29/98/02/176299802.db2.gz SUYPAWQCWQYNCG-NXEZZACHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236694 176299805 /nfs/dbraw/zinc/29/98/05/176299805.db2.gz SUYPAWQCWQYNCG-NXEZZACHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@]2(CCOC2)O1 ZINC000280389042 176303329 /nfs/dbraw/zinc/30/33/29/176303329.db2.gz WUXPNKQPCACNRX-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@]2(CCOC2)O1 ZINC000280389042 176303331 /nfs/dbraw/zinc/30/33/31/176303331.db2.gz WUXPNKQPCACNRX-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CCO1 ZINC000340918948 176309000 /nfs/dbraw/zinc/30/90/00/176309000.db2.gz PDSZTRDQAFYUIM-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CCO1 ZINC000340918948 176309002 /nfs/dbraw/zinc/30/90/02/176309002.db2.gz PDSZTRDQAFYUIM-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H](C(N)=O)O1 ZINC000132098069 176309317 /nfs/dbraw/zinc/30/93/17/176309317.db2.gz RCJKBIQECLTVSJ-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H](C(N)=O)O1 ZINC000132098069 176309318 /nfs/dbraw/zinc/30/93/18/176309318.db2.gz RCJKBIQECLTVSJ-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)[C@H]1C ZINC000332602758 176311384 /nfs/dbraw/zinc/31/13/84/176311384.db2.gz BCZHAAPAZFSDNQ-CSMHCCOUSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)[C@H]1C ZINC000332602758 176311385 /nfs/dbraw/zinc/31/13/85/176311385.db2.gz BCZHAAPAZFSDNQ-CSMHCCOUSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)[C@@H]1C ZINC000339580807 176311422 /nfs/dbraw/zinc/31/14/22/176311422.db2.gz HGNNGMCQHFFMGH-HTQZYQBOSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)[C@@H]1C ZINC000339580807 176311424 /nfs/dbraw/zinc/31/14/24/176311424.db2.gz HGNNGMCQHFFMGH-HTQZYQBOSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)S1(=O)=O ZINC000289481321 176312708 /nfs/dbraw/zinc/31/27/08/176312708.db2.gz IVCZZBVIGLJLFY-RKDXNWHRSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1O ZINC000351775103 176312926 /nfs/dbraw/zinc/31/29/26/176312926.db2.gz QLVCPKDEFPRLNT-NXEZZACHSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1O ZINC000351775103 176312927 /nfs/dbraw/zinc/31/29/27/176312927.db2.gz QLVCPKDEFPRLNT-NXEZZACHSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@]2(CCOC2)O1 ZINC000376675534 176314929 /nfs/dbraw/zinc/31/49/29/176314929.db2.gz YRXZTZQQEQUIAZ-FOGDFJRCSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@]2(CCOC2)O1 ZINC000376675534 176314931 /nfs/dbraw/zinc/31/49/31/176314931.db2.gz YRXZTZQQEQUIAZ-FOGDFJRCSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@@]2(CCOC2)O1 ZINC000376675535 176318567 /nfs/dbraw/zinc/31/85/67/176318567.db2.gz YRXZTZQQEQUIAZ-JFGNBEQYSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@@]2(CCOC2)O1 ZINC000376675535 176318568 /nfs/dbraw/zinc/31/85/68/176318568.db2.gz YRXZTZQQEQUIAZ-JFGNBEQYSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2)CC[S@]1=O ZINC000307751619 176318600 /nfs/dbraw/zinc/31/86/00/176318600.db2.gz OQXWGXNPRPOPDO-VYUIOLGVSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2)CC[S@]1=O ZINC000307751619 176318601 /nfs/dbraw/zinc/31/86/01/176318601.db2.gz OQXWGXNPRPOPDO-VYUIOLGVSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccccc21 ZINC000054369782 176326826 /nfs/dbraw/zinc/32/68/26/176326826.db2.gz FEFUODWMZGTVLT-SECBINFHSA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000179105963 176327315 /nfs/dbraw/zinc/32/73/15/176327315.db2.gz MPLPLPILOXKDSG-MRVPVSSYSA-N 1 2 234.303 0.721 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2ncccn2)C1 ZINC000361861883 176333472 /nfs/dbraw/zinc/33/34/72/176333472.db2.gz IVIUHCPPWGRZBW-JTQLQIEISA-N 1 2 207.277 0.945 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2ncccn2)C1 ZINC000361861883 176333473 /nfs/dbraw/zinc/33/34/73/176333473.db2.gz IVIUHCPPWGRZBW-JTQLQIEISA-N 1 2 207.277 0.945 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329488111 176333782 /nfs/dbraw/zinc/33/37/82/176333782.db2.gz GXTOBSOETXPOKN-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329488111 176333784 /nfs/dbraw/zinc/33/37/84/176333784.db2.gz GXTOBSOETXPOKN-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1c[nH]nn1 ZINC000331354736 176336102 /nfs/dbraw/zinc/33/61/02/176336102.db2.gz PTILYGGQPBUIRB-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1c[nH]nn1 ZINC000331354736 176336104 /nfs/dbraw/zinc/33/61/04/176336104.db2.gz PTILYGGQPBUIRB-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1cn[nH]n1 ZINC000331354736 176336106 /nfs/dbraw/zinc/33/61/06/176336106.db2.gz PTILYGGQPBUIRB-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1cn[nH]n1 ZINC000331354736 176336108 /nfs/dbraw/zinc/33/61/08/176336108.db2.gz PTILYGGQPBUIRB-MRVPVSSYSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN(C)Cc1ccon1 ZINC000337174582 176336815 /nfs/dbraw/zinc/33/68/15/176336815.db2.gz ICDKHIFROZMHAP-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN(C)Cc1ccon1 ZINC000337174582 176336818 /nfs/dbraw/zinc/33/68/18/176336818.db2.gz ICDKHIFROZMHAP-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1COCCN1CC[N@H+](C)Cc1ccon1 ZINC000337174582 176336821 /nfs/dbraw/zinc/33/68/21/176336821.db2.gz ICDKHIFROZMHAP-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1COCCN1CC[N@@H+](C)Cc1ccon1 ZINC000337174582 176336822 /nfs/dbraw/zinc/33/68/22/176336822.db2.gz ICDKHIFROZMHAP-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN(C)Cc1cc[nH]n1 ZINC000337170827 176336883 /nfs/dbraw/zinc/33/68/83/176336883.db2.gz FKFRDPBALSCQGL-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN(C)Cc1cc[nH]n1 ZINC000337170827 176336885 /nfs/dbraw/zinc/33/68/85/176336885.db2.gz FKFRDPBALSCQGL-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1COCCN1CC[N@H+](C)Cc1cc[nH]n1 ZINC000337170827 176336886 /nfs/dbraw/zinc/33/68/86/176336886.db2.gz FKFRDPBALSCQGL-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1COCCN1CC[N@@H+](C)Cc1cc[nH]n1 ZINC000337170827 176336887 /nfs/dbraw/zinc/33/68/87/176336887.db2.gz FKFRDPBALSCQGL-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1COCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328639156 176341326 /nfs/dbraw/zinc/34/13/26/176341326.db2.gz DORMAJVVPXWOJO-RQJHMYQMSA-N 1 2 212.253 0.025 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CO1 ZINC000331257936 176358611 /nfs/dbraw/zinc/35/86/11/176358611.db2.gz DUMDBPIQLCPAOK-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(C)C1CC1 ZINC000367562895 176372318 /nfs/dbraw/zinc/37/23/18/176372318.db2.gz LRXUWQWCUUHYDG-DGCLKSJQSA-N 1 2 239.363 0.791 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N(C)C ZINC000336336303 176372349 /nfs/dbraw/zinc/37/23/49/176372349.db2.gz ROYROPURFHPISS-GHMZBOCLSA-N 1 2 241.335 0.463 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1CCF ZINC000332673224 176383433 /nfs/dbraw/zinc/38/34/33/176383433.db2.gz RKHXRYWASFTGLF-RKDXNWHRSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1CCF ZINC000332673224 176383435 /nfs/dbraw/zinc/38/34/35/176383435.db2.gz RKHXRYWASFTGLF-RKDXNWHRSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000332310602 176531789 /nfs/dbraw/zinc/53/17/89/176531789.db2.gz LCVXNQCBDLIUFC-LBPRGKRZSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H](c1cnccn1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668302 177051230 /nfs/dbraw/zinc/05/12/30/177051230.db2.gz QYRLFVXNSUBZAS-MWLCHTKSSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668302 177051233 /nfs/dbraw/zinc/05/12/33/177051233.db2.gz QYRLFVXNSUBZAS-MWLCHTKSSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC1CC1 ZINC000180356159 177052461 /nfs/dbraw/zinc/05/24/61/177052461.db2.gz AVDKDNCTNQAUHB-SECBINFHSA-N 1 2 236.319 0.692 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC1CC1 ZINC000180356159 177052462 /nfs/dbraw/zinc/05/24/62/177052462.db2.gz AVDKDNCTNQAUHB-SECBINFHSA-N 1 2 236.319 0.692 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCC(N)=O ZINC000331807677 177055867 /nfs/dbraw/zinc/05/58/67/177055867.db2.gz WWYQQHSUTKCCAY-SSDOTTSWSA-N 1 2 238.295 0.926 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCC(N)=O ZINC000331807677 177055868 /nfs/dbraw/zinc/05/58/68/177055868.db2.gz WWYQQHSUTKCCAY-SSDOTTSWSA-N 1 2 238.295 0.926 20 0 BCADLO C[C@H]1C(=O)CC[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000336525822 177056694 /nfs/dbraw/zinc/05/66/94/177056694.db2.gz CKGYHGXFGSMLSF-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1C ZINC000329622907 177057906 /nfs/dbraw/zinc/05/79/06/177057906.db2.gz RYIJRQFFFCLMJY-JGVFFNPUSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@H]1C(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1C ZINC000329622907 177057907 /nfs/dbraw/zinc/05/79/07/177057907.db2.gz RYIJRQFFFCLMJY-JGVFFNPUSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccncc1F ZINC000336225919 177058759 /nfs/dbraw/zinc/05/87/59/177058759.db2.gz CPQNKERAFNHVSA-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccncc1F ZINC000336225919 177058761 /nfs/dbraw/zinc/05/87/61/177058761.db2.gz CPQNKERAFNHVSA-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCCO1 ZINC000104692685 177059587 /nfs/dbraw/zinc/05/95/87/177059587.db2.gz NUGRMRJRNPABAR-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000104692685 177059589 /nfs/dbraw/zinc/05/95/89/177059589.db2.gz NUGRMRJRNPABAR-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1Cc2ccccc2O1 ZINC000366181187 177059764 /nfs/dbraw/zinc/05/97/64/177059764.db2.gz XBSYBMULSIJHHL-CMPLNLGQSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1Cc2ccccc2O1 ZINC000366181187 177059765 /nfs/dbraw/zinc/05/97/65/177059765.db2.gz XBSYBMULSIJHHL-CMPLNLGQSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@H]1C(=O)NCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329246671 177060096 /nfs/dbraw/zinc/06/00/96/177060096.db2.gz RFRWGYNCKUVWGH-QMMMGPOBSA-N 1 2 236.275 0.530 20 0 BCADLO C[C@H]1C(=O)NCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329246671 177060098 /nfs/dbraw/zinc/06/00/98/177060098.db2.gz RFRWGYNCKUVWGH-QMMMGPOBSA-N 1 2 236.275 0.530 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000112690943 177060178 /nfs/dbraw/zinc/06/01/78/177060178.db2.gz NNFWOCBQCBXQFK-VIFPVBQESA-N 1 2 205.261 0.402 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000112690943 177060179 /nfs/dbraw/zinc/06/01/79/177060179.db2.gz NNFWOCBQCBXQFK-VIFPVBQESA-N 1 2 205.261 0.402 20 0 BCADLO C[C@@H]1[C@@H](C)CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188669818 177153010 /nfs/dbraw/zinc/15/30/10/177153010.db2.gz DMCCPVKSUUHYJX-DTWKUNHWSA-N 1 2 248.330 0.926 20 0 BCADLO C[C@H]1CCO[C@@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370708837 177178547 /nfs/dbraw/zinc/17/85/47/177178547.db2.gz PQJFUJNAJCLHCP-CABZTGNLSA-N 1 2 249.314 0.730 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000131607535 177181224 /nfs/dbraw/zinc/18/12/24/177181224.db2.gz BKOROAGRHCXTOC-IUCAKERBSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2nncn2C)O1 ZINC000336679809 177189363 /nfs/dbraw/zinc/18/93/63/177189363.db2.gz XDRWZMJFSZKHLP-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2nncn2C)O1 ZINC000336679809 177189364 /nfs/dbraw/zinc/18/93/64/177189364.db2.gz XDRWZMJFSZKHLP-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000283162361 177210932 /nfs/dbraw/zinc/21/09/32/177210932.db2.gz OZKPJLPHPUNIAT-HPOULIHZSA-N 1 2 233.271 0.860 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000357853160 177215584 /nfs/dbraw/zinc/21/55/84/177215584.db2.gz OMHRDHHBQWEYJG-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000279190154 177215884 /nfs/dbraw/zinc/21/58/84/177215884.db2.gz LKLIOVKBCNVGIY-AOOOYVTPSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C2CC2)O1 ZINC000279529483 177219412 /nfs/dbraw/zinc/21/94/12/177219412.db2.gz ADWSGVWWPPQELU-JQWIXIFHSA-N 1 2 249.314 0.909 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)C[C@H](C)[N@H+]1C ZINC000293937558 177225767 /nfs/dbraw/zinc/22/57/67/177225767.db2.gz IQPBSWHZQPKMFI-AOOOYVTPSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)C[C@H](C)[N@@H+]1C ZINC000293937558 177225769 /nfs/dbraw/zinc/22/57/69/177225769.db2.gz IQPBSWHZQPKMFI-AOOOYVTPSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605721 177237692 /nfs/dbraw/zinc/23/76/92/177237692.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 1 2 223.364 0.788 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C2CC2)O1 ZINC000336623404 177243607 /nfs/dbraw/zinc/24/36/07/177243607.db2.gz GNQWNHUZYLNFKF-JQWIXIFHSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C2CC2)O1 ZINC000336623404 177243608 /nfs/dbraw/zinc/24/36/08/177243608.db2.gz GNQWNHUZYLNFKF-JQWIXIFHSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C2CC2)O1 ZINC000336623403 177244490 /nfs/dbraw/zinc/24/44/90/177244490.db2.gz GNQWNHUZYLNFKF-CMPLNLGQSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C2CC2)O1 ZINC000336623403 177244493 /nfs/dbraw/zinc/24/44/93/177244493.db2.gz GNQWNHUZYLNFKF-CMPLNLGQSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C[N@H+](CCN(C)c2ccccc2)CC(=O)N1 ZINC000296216941 177250945 /nfs/dbraw/zinc/25/09/45/177250945.db2.gz NRMFNYIUKJKYNR-LBPRGKRZSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC(=O)N1 ZINC000296216941 177250946 /nfs/dbraw/zinc/25/09/46/177250946.db2.gz NRMFNYIUKJKYNR-LBPRGKRZSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC000369407314 177252394 /nfs/dbraw/zinc/25/23/94/177252394.db2.gz GIYKRMYIDZZBCU-ONGXEEELSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC000369407314 177252395 /nfs/dbraw/zinc/25/23/95/177252395.db2.gz GIYKRMYIDZZBCU-ONGXEEELSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@H+](CCOCC(F)F)CC(=O)N1C ZINC000337475664 177252729 /nfs/dbraw/zinc/25/27/29/177252729.db2.gz YHOPZKIMVFHJAG-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC(F)F)CC(=O)N1C ZINC000337475664 177252731 /nfs/dbraw/zinc/25/27/31/177252731.db2.gz YHOPZKIMVFHJAG-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CC2)CC[S@@]1=O ZINC000357901683 177253099 /nfs/dbraw/zinc/25/30/99/177253099.db2.gz WUKORQWOKBKFIX-BONVTDFDSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CC2)CC[S@@]1=O ZINC000357901683 177253100 /nfs/dbraw/zinc/25/31/00/177253100.db2.gz WUKORQWOKBKFIX-BONVTDFDSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)CC[S@@]1=O ZINC000346273888 177256734 /nfs/dbraw/zinc/25/67/34/177256734.db2.gz IWRUDDRRPOXJKL-BONVTDFDSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC(=O)N1 ZINC000295068116 177260832 /nfs/dbraw/zinc/26/08/32/177260832.db2.gz QTILEJYAKXXMGH-QMMMGPOBSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC(=O)N1 ZINC000295068116 177260833 /nfs/dbraw/zinc/26/08/33/177260833.db2.gz QTILEJYAKXXMGH-QMMMGPOBSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CCCO1 ZINC000336698823 177269178 /nfs/dbraw/zinc/26/91/78/177269178.db2.gz UGYIQLAUPWFQCI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CCCO1 ZINC000336698823 177269180 /nfs/dbraw/zinc/26/91/80/177269180.db2.gz UGYIQLAUPWFQCI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1C[N@H+](Cc2csnn2)CC[C@@H]1O ZINC000306193816 177270370 /nfs/dbraw/zinc/27/03/70/177270370.db2.gz UZSWSQNULUEESN-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1O ZINC000306193816 177270372 /nfs/dbraw/zinc/27/03/72/177270372.db2.gz UZSWSQNULUEESN-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@@H]1O ZINC000351775104 177272227 /nfs/dbraw/zinc/27/22/27/177272227.db2.gz QLVCPKDEFPRLNT-UWVGGRQHSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@@H]1O ZINC000351775104 177272228 /nfs/dbraw/zinc/27/22/28/177272228.db2.gz QLVCPKDEFPRLNT-UWVGGRQHSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254785 177272690 /nfs/dbraw/zinc/27/26/90/177272690.db2.gz NZKNDXWZKNWRLU-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254785 177272691 /nfs/dbraw/zinc/27/26/91/177272691.db2.gz NZKNDXWZKNWRLU-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@H](C)[N@H+]1C ZINC000336612348 177272786 /nfs/dbraw/zinc/27/27/86/177272786.db2.gz LPRNCTSAQWXYBP-AOOOYVTPSA-N 1 2 246.376 0.751 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@H](C)[N@@H+]1C ZINC000336612348 177272787 /nfs/dbraw/zinc/27/27/87/177272787.db2.gz LPRNCTSAQWXYBP-AOOOYVTPSA-N 1 2 246.376 0.751 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295146974 177276180 /nfs/dbraw/zinc/27/61/80/177276180.db2.gz ALLWYGCUAYAAIA-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295146974 177276182 /nfs/dbraw/zinc/27/61/82/177276182.db2.gz ALLWYGCUAYAAIA-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CC(O)(C2CC2)C1 ZINC000369069781 177290611 /nfs/dbraw/zinc/29/06/11/177290611.db2.gz CLHISGTVTVYODD-NSHDSACASA-N 1 2 240.347 0.164 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CC(O)(C2CC2)C1 ZINC000369069781 177290612 /nfs/dbraw/zinc/29/06/12/177290612.db2.gz CLHISGTVTVYODD-NSHDSACASA-N 1 2 240.347 0.164 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)CCC1=O ZINC000338572731 177290823 /nfs/dbraw/zinc/29/08/23/177290823.db2.gz QDIZMONHTGLOFN-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CCC1=O ZINC000338572731 177290825 /nfs/dbraw/zinc/29/08/25/177290825.db2.gz QDIZMONHTGLOFN-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCC1=O ZINC000338572731 177290827 /nfs/dbraw/zinc/29/08/27/177290827.db2.gz QDIZMONHTGLOFN-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCC1=O ZINC000338572731 177290828 /nfs/dbraw/zinc/29/08/28/177290828.db2.gz QDIZMONHTGLOFN-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1ccnc(N)c1 ZINC000052720606 177292630 /nfs/dbraw/zinc/29/26/30/177292630.db2.gz CXCTVSGCTPOTLV-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1ccnc(N)c1 ZINC000052720606 177292632 /nfs/dbraw/zinc/29/26/32/177292632.db2.gz CXCTVSGCTPOTLV-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225427609 177292964 /nfs/dbraw/zinc/29/29/64/177292964.db2.gz FWDIBVOXGNKLJU-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225427609 177292965 /nfs/dbraw/zinc/29/29/65/177292965.db2.gz FWDIBVOXGNKLJU-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1COCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328639154 177297154 /nfs/dbraw/zinc/29/71/54/177297154.db2.gz DORMAJVVPXWOJO-NKWVEPMBSA-N 1 2 212.253 0.025 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000299690692 177300674 /nfs/dbraw/zinc/30/06/74/177300674.db2.gz WEAAWMDCZYCFJK-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000220334066 177301965 /nfs/dbraw/zinc/30/19/65/177301965.db2.gz PLLHPAKUUAKEFX-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000220334066 177301967 /nfs/dbraw/zinc/30/19/67/177301967.db2.gz PLLHPAKUUAKEFX-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000332662979 177337510 /nfs/dbraw/zinc/33/75/10/177337510.db2.gz GICVMUWDVZLWPE-JGVFFNPUSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000332662979 177337512 /nfs/dbraw/zinc/33/75/12/177337512.db2.gz GICVMUWDVZLWPE-JGVFFNPUSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1CCF ZINC000332673218 177338400 /nfs/dbraw/zinc/33/84/00/177338400.db2.gz RKHXRYWASFTGLF-DTWKUNHWSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1CCF ZINC000332673218 177338402 /nfs/dbraw/zinc/33/84/02/177338402.db2.gz RKHXRYWASFTGLF-DTWKUNHWSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@H]1C[C@H](NCC[NH+]2CCC2)CC[N@H+]1C ZINC000309098291 177369153 /nfs/dbraw/zinc/36/91/53/177369153.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 1 2 211.353 0.764 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000264114610 177380596 /nfs/dbraw/zinc/38/05/96/177380596.db2.gz GSLOVEQPQMREQA-IUCAKERBSA-N 1 2 222.292 0.875 20 0 BCADLO C[C@@H]1Cc2c([nH+]cn2Cc2nc(=O)[nH][nH]2)C[C@@H]1C ZINC000295185817 177391695 /nfs/dbraw/zinc/39/16/95/177391695.db2.gz QJJXWYHWZJPODA-JGVFFNPUSA-N 1 2 247.302 0.714 20 0 BCADLO Cc1[nH]ccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000154854572 177520835 /nfs/dbraw/zinc/52/08/35/177520835.db2.gz WCLNAKFJJPJGEU-UHFFFAOYSA-N 1 2 237.303 0.073 20 0 BCADLO C[C@H](CF)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000479291701 225180091 /nfs/dbraw/zinc/18/00/91/225180091.db2.gz VDRIOVZWYHEIMC-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO Cc1cc(NC(=O)c2cc(C(N)=O)c[nH]2)cc[nH+]1 ZINC000487614958 225318827 /nfs/dbraw/zinc/31/88/27/225318827.db2.gz CWHYKWWKJOCWGV-UHFFFAOYSA-N 1 2 244.254 0.491 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC1(O)CCC1 ZINC000488315554 225369841 /nfs/dbraw/zinc/36/98/41/225369841.db2.gz FFYCBDINSCPWAD-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC1(O)CCC1 ZINC000488315554 225369844 /nfs/dbraw/zinc/36/98/44/225369844.db2.gz FFYCBDINSCPWAD-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](OC)C1 ZINC000488442738 225399358 /nfs/dbraw/zinc/39/93/58/225399358.db2.gz AMUSLVNRZWAPGV-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](OC)C1 ZINC000488442738 225399363 /nfs/dbraw/zinc/39/93/63/225399363.db2.gz AMUSLVNRZWAPGV-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[NH2+][C@H](C(=O)NC)C(C)C ZINC000488171513 225353237 /nfs/dbraw/zinc/35/32/37/225353237.db2.gz SSSHGSDIMNZCKE-JTQLQIEISA-N 1 2 239.323 0.158 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC12CC2 ZINC000492759382 226047623 /nfs/dbraw/zinc/04/76/23/226047623.db2.gz CEHHAMZEYZOAJA-OWOJBTEDSA-N 1 2 233.271 0.814 20 0 BCADLO COc1n[nH]c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492807152 226057362 /nfs/dbraw/zinc/05/73/62/226057362.db2.gz AVBKEJDFHXWAIS-NSCUHMNNSA-N 1 2 234.219 0.188 20 0 BCADLO COC(=O)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492814536 226058161 /nfs/dbraw/zinc/05/81/61/226058161.db2.gz UMIHMGXJICVFLM-PKRMOACSSA-N 1 2 249.270 0.444 20 0 BCADLO Cc1nnc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492812766 226058427 /nfs/dbraw/zinc/05/84/27/226058427.db2.gz NSXNPBLSLGYRKF-IHWYPQMZSA-N 1 2 249.299 0.899 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1(O)CCC1 ZINC000492842306 226064482 /nfs/dbraw/zinc/06/44/82/226064482.db2.gz ZISUVUHBHRCURX-IHWYPQMZSA-N 1 2 235.287 0.844 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)CC1CC1 ZINC000492858729 226068620 /nfs/dbraw/zinc/06/86/20/226068620.db2.gz FYYXTTGWCDRVOX-ONEGZZNKSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCOCC1 ZINC000492871682 226072300 /nfs/dbraw/zinc/07/23/00/226072300.db2.gz XSZBBJNDWUSKOK-UPHRSURJSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC(F)F ZINC000492891404 226076066 /nfs/dbraw/zinc/07/60/66/226076066.db2.gz CWHIKUDEUOAFRS-OWOJBTEDSA-N 1 2 217.175 0.736 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000492900200 226079329 /nfs/dbraw/zinc/07/93/29/226079329.db2.gz NKIXVAQGNPBDGC-GOHLFLMTSA-N 1 2 249.270 0.049 20 0 BCADLO C[C@H](Cn1cncn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903472 226079454 /nfs/dbraw/zinc/07/94/54/226079454.db2.gz TUODHRGXOMIGQK-GKQMSVHHSA-N 1 2 246.274 0.219 20 0 BCADLO Cc1noc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492900214 226079865 /nfs/dbraw/zinc/07/98/65/226079865.db2.gz NOAFTMIXFLMVNQ-NSCUHMNNSA-N 1 2 233.231 0.431 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000492904264 226081230 /nfs/dbraw/zinc/08/12/30/226081230.db2.gz WGJVEQIDIVCCMG-ZMWSMAPVSA-N 1 2 221.260 0.670 20 0 BCADLO COCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493071454 226118176 /nfs/dbraw/zinc/11/81/76/226118176.db2.gz OSCCNZSEKRVMHF-ONEGZZNKSA-N 1 2 209.249 0.528 20 0 BCADLO COCOCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493181557 226146706 /nfs/dbraw/zinc/14/67/06/226146706.db2.gz CFEHWNFWSXKTLY-ARJAWSKDSA-N 1 2 239.275 0.550 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N(C1CC1)C1COC1 ZINC000493246158 226165221 /nfs/dbraw/zinc/16/52/21/226165221.db2.gz AAYOGCJWJNLOLF-ONEGZZNKSA-N 1 2 233.271 0.813 20 0 BCADLO CO[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493251955 226166583 /nfs/dbraw/zinc/16/65/83/226166583.db2.gz JPWPOBHYEGJSMH-RTMURIBGSA-N 1 2 209.249 0.574 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493416079 226209303 /nfs/dbraw/zinc/20/93/03/226209303.db2.gz HJHYSEDUXXVSRD-HXQNXIEXSA-N 1 2 223.276 0.963 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000493463663 226224460 /nfs/dbraw/zinc/22/44/60/226224460.db2.gz VQWVKPVJEPNZFC-XADBCAIWSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@]1(C(N)=O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493531552 226240339 /nfs/dbraw/zinc/24/03/39/226240339.db2.gz VJUPMHKVOZOYJE-JDGPPOGSSA-N 1 2 248.286 0.147 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1CCO ZINC000493547551 226242283 /nfs/dbraw/zinc/24/22/83/226242283.db2.gz FNMYISKKJLXJRX-HMDXOVGESA-N 1 2 235.287 0.796 20 0 BCADLO COC[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493661344 226248215 /nfs/dbraw/zinc/24/82/15/226248215.db2.gz OAAPVNCHLNSQJO-ZBJFTSOASA-N 1 2 223.276 0.822 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H](CO)CC(F)F ZINC000493676976 226248996 /nfs/dbraw/zinc/24/89/96/226248996.db2.gz UEPNWGXWPODDOH-HIXXPVPXSA-N 1 2 245.229 0.555 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1=CCOCC1 ZINC000493714004 226250592 /nfs/dbraw/zinc/25/05/92/226250592.db2.gz HWNQCMGKMNZFTR-OWOJBTEDSA-N 1 2 233.271 0.886 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](CO)C1 ZINC000493738036 226251934 /nfs/dbraw/zinc/25/19/34/226251934.db2.gz IJAVRUNFZQQOPO-HMDXOVGESA-N 1 2 235.287 0.654 20 0 BCADLO COC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493753516 226252548 /nfs/dbraw/zinc/25/25/48/226252548.db2.gz MAYUORWYLDKDMJ-ORAHPGNNSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC(=O)C1CC1 ZINC000493762474 226252975 /nfs/dbraw/zinc/25/29/75/226252975.db2.gz WYPPPPZANMYCOO-ONEGZZNKSA-N 1 2 249.270 0.492 20 0 BCADLO COC[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834556 226256489 /nfs/dbraw/zinc/25/64/89/226256489.db2.gz GJUDATATQZYSSA-CDAZIORVSA-N 1 2 223.276 0.822 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)C1 ZINC000493840994 226256718 /nfs/dbraw/zinc/25/67/18/226256718.db2.gz DULIBFKHOIYMTB-XOULXFPDSA-N 1 2 221.260 0.406 20 0 BCADLO Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)nc[nH+]1 ZINC000494086458 226260900 /nfs/dbraw/zinc/26/09/00/226260900.db2.gz PCLCCAPYOGLGSO-JTQLQIEISA-N 1 2 248.286 0.816 20 0 BCADLO COC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494221215 226262492 /nfs/dbraw/zinc/26/24/92/226262492.db2.gz WBHYPAUEJPQNRP-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494221215 226262493 /nfs/dbraw/zinc/26/24/93/226262493.db2.gz WBHYPAUEJPQNRP-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000494685492 226268038 /nfs/dbraw/zinc/26/80/38/226268038.db2.gz NQOSZBIIQZXFLO-SNVBAGLBSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000494685492 226268039 /nfs/dbraw/zinc/26/80/39/226268039.db2.gz NQOSZBIIQZXFLO-SNVBAGLBSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H]2CN(C)C(=O)O2)no1 ZINC000496629808 226310138 /nfs/dbraw/zinc/31/01/38/226310138.db2.gz XPMSGHHDYLZJJH-SNVBAGLBSA-N 1 2 239.275 0.865 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H]2CN(C)C(=O)O2)no1 ZINC000496629808 226310139 /nfs/dbraw/zinc/31/01/39/226310139.db2.gz XPMSGHHDYLZJJH-SNVBAGLBSA-N 1 2 239.275 0.865 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496704615 226312201 /nfs/dbraw/zinc/31/22/01/226312201.db2.gz ZDELJAJCHXSEAN-ZJUUUORDSA-N 1 2 227.308 0.073 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496704615 226312202 /nfs/dbraw/zinc/31/22/02/226312202.db2.gz ZDELJAJCHXSEAN-ZJUUUORDSA-N 1 2 227.308 0.073 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496704612 226312337 /nfs/dbraw/zinc/31/23/37/226312337.db2.gz ZDELJAJCHXSEAN-NXEZZACHSA-N 1 2 227.308 0.073 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496704612 226312338 /nfs/dbraw/zinc/31/23/38/226312338.db2.gz ZDELJAJCHXSEAN-NXEZZACHSA-N 1 2 227.308 0.073 20 0 BCADLO Cc1nnc(C[NH+]2CCC(C)(CO)CC2)[nH]1 ZINC000401817171 226362401 /nfs/dbraw/zinc/36/24/01/226362401.db2.gz XWCHKFCGRNLQTD-UHFFFAOYSA-N 1 2 224.308 0.708 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OCC2CC2)CCO1 ZINC000496074868 226296278 /nfs/dbraw/zinc/29/62/78/226296278.db2.gz ZZMYWJXIIXTOGX-SNVBAGLBSA-N 1 2 242.319 0.843 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OCC2CC2)CCO1 ZINC000496074868 226296279 /nfs/dbraw/zinc/29/62/79/226296279.db2.gz ZZMYWJXIIXTOGX-SNVBAGLBSA-N 1 2 242.319 0.843 20 0 BCADLO CCc1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000653737968 487656098 /nfs/dbraw/zinc/65/60/98/487656098.db2.gz DGMFOBXEIQEQBV-YUMQZZPRSA-N 1 2 225.292 0.881 20 0 BCADLO Cn1cnnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000653463027 487657810 /nfs/dbraw/zinc/65/78/10/487657810.db2.gz YAOIICWRAUBHON-UHFFFAOYSA-N 1 2 247.302 0.730 20 0 BCADLO CC(C)COCC[N@@H+]1CCN(C)C(=O)C1 ZINC000669690184 487658396 /nfs/dbraw/zinc/65/83/96/487658396.db2.gz FOQOAHUCODCXKL-UHFFFAOYSA-N 1 2 214.309 0.433 20 0 BCADLO CC(C)COCC[N@H+]1CCN(C)C(=O)C1 ZINC000669690184 487658397 /nfs/dbraw/zinc/65/83/97/487658397.db2.gz FOQOAHUCODCXKL-UHFFFAOYSA-N 1 2 214.309 0.433 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCS1 ZINC000674937045 487659470 /nfs/dbraw/zinc/65/94/70/487659470.db2.gz SHGXYFFGFFLKFB-SECBINFHSA-N 1 2 225.317 0.895 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000680864043 487660480 /nfs/dbraw/zinc/66/04/80/487660480.db2.gz CFUWFBLOJIEMDZ-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000680864043 487660484 /nfs/dbraw/zinc/66/04/84/487660484.db2.gz CFUWFBLOJIEMDZ-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO Cc1cn2c([nH+]1)CN(C[C@@H](O)C(F)(F)F)CC2 ZINC000680865348 487660660 /nfs/dbraw/zinc/66/06/60/487660660.db2.gz PAHNOCDMPVZERL-MRVPVSSYSA-N 1 2 249.236 0.930 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1CC(F)F ZINC000488099210 533682646 /nfs/dbraw/zinc/68/26/46/533682646.db2.gz DFCNUJKDUZFMIN-HTQZYQBOSA-N 1 2 246.261 0.498 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1CC(F)F ZINC000488099210 533682652 /nfs/dbraw/zinc/68/26/52/533682652.db2.gz DFCNUJKDUZFMIN-HTQZYQBOSA-N 1 2 246.261 0.498 20 0 BCADLO CCn1nccc1C[N@H+](C)C[C@@](C)(O)C(C)=O ZINC000450867617 229166487 /nfs/dbraw/zinc/16/64/87/229166487.db2.gz HKHWAPDTNIHWRX-GFCCVEGCSA-N 1 2 239.319 0.675 20 0 BCADLO CCn1nccc1C[N@@H+](C)C[C@@](C)(O)C(C)=O ZINC000450867617 229166489 /nfs/dbraw/zinc/16/64/89/229166489.db2.gz HKHWAPDTNIHWRX-GFCCVEGCSA-N 1 2 239.319 0.675 20 0 BCADLO Nc1cc(CSc2n[nH]c(=O)[nH]2)cc[nH+]1 ZINC000195502520 229168177 /nfs/dbraw/zinc/16/81/77/229168177.db2.gz UPDCIGYZASTHOL-UHFFFAOYSA-N 1 2 223.261 0.780 20 0 BCADLO CO[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493479307 229213849 /nfs/dbraw/zinc/21/38/49/229213849.db2.gz IMNUCZLHRSBDMG-LWTINBJPSA-N 1 2 235.287 0.964 20 0 BCADLO COCc1cncc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000680928451 487672467 /nfs/dbraw/zinc/67/24/67/487672467.db2.gz CJJRCJASZKYGDL-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000305202148 229370083 /nfs/dbraw/zinc/37/00/83/229370083.db2.gz FQSKELMTRMRURR-VIFPVBQESA-N 1 2 236.319 0.652 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCOC[C@H]2C)c[nH+]1 ZINC000278394852 487683389 /nfs/dbraw/zinc/68/33/89/487683389.db2.gz DBWOYDPATSCULZ-APPZFPTMSA-N 1 2 223.276 0.873 20 0 BCADLO CNC(=O)CCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433785592 487683524 /nfs/dbraw/zinc/68/35/24/487683524.db2.gz SIJHVVZSMRAVDD-UHFFFAOYSA-N 1 2 233.275 0.814 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1ncc[nH]1)[C@@H]1CCOC1 ZINC000660142140 487685454 /nfs/dbraw/zinc/68/54/54/487685454.db2.gz OTFCNUVQKUJDQM-MNOVXSKESA-N 1 2 239.319 0.893 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1ncc[nH]1)[C@@H]1CCOC1 ZINC000660142140 487685458 /nfs/dbraw/zinc/68/54/58/487685458.db2.gz OTFCNUVQKUJDQM-MNOVXSKESA-N 1 2 239.319 0.893 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC12CCC2 ZINC000675284776 487687079 /nfs/dbraw/zinc/68/70/79/487687079.db2.gz LSVFAMUBGJJWCM-NSHDSACASA-N 1 2 238.331 0.625 20 0 BCADLO CO[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000395974592 262795418 /nfs/dbraw/zinc/79/54/18/262795418.db2.gz RSPRRONIALQVHA-GHMZBOCLSA-N 1 2 233.271 0.759 20 0 BCADLO Nc1[nH+]cnc(N2CCO[C@H](CF)C2)c1Cl ZINC000665742652 487714760 /nfs/dbraw/zinc/71/47/60/487714760.db2.gz XXZLRCUMDVDIBE-ZCFIWIBFSA-N 1 2 246.673 0.887 20 0 BCADLO Nc1nc[nH+]c(N2CCO[C@H](CF)C2)c1Cl ZINC000665742652 487714762 /nfs/dbraw/zinc/71/47/62/487714762.db2.gz XXZLRCUMDVDIBE-ZCFIWIBFSA-N 1 2 246.673 0.887 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000669596157 487718454 /nfs/dbraw/zinc/71/84/54/487718454.db2.gz JPIQCTJFXHEXLQ-VIFPVBQESA-N 1 2 233.275 0.733 20 0 BCADLO Cc1nc(N[C@@H]2CCCn3nccc32)nc(N)[nH+]1 ZINC000631593657 487719965 /nfs/dbraw/zinc/71/99/65/487719965.db2.gz DZMMKKLKRPHHAS-MRVPVSSYSA-N 1 2 245.290 0.906 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCn3nccc32)[nH+]1 ZINC000631593657 487719966 /nfs/dbraw/zinc/71/99/66/487719966.db2.gz DZMMKKLKRPHHAS-MRVPVSSYSA-N 1 2 245.290 0.906 20 0 BCADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000681102303 487723533 /nfs/dbraw/zinc/72/35/33/487723533.db2.gz JAIHKYVNEJUVLY-TUAOUCFPSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000681105184 487724827 /nfs/dbraw/zinc/72/48/27/487724827.db2.gz QHHWONYPMZPZNT-USZNOCQGSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)[C@@H](O)C1CC1 ZINC000668896665 487728119 /nfs/dbraw/zinc/72/81/19/487728119.db2.gz YXNJQWMLQLPYFF-LBPRGKRZSA-N 1 2 249.314 0.771 20 0 BCADLO c1nc2c(c(NCCCC3CC3)[nH+]1)OCCN2 ZINC000665701834 487734233 /nfs/dbraw/zinc/73/42/33/487734233.db2.gz YLLKLGITXBPIFS-UHFFFAOYSA-N 1 2 234.303 0.996 20 0 BCADLO c1nc(NCCCC2CC2)c2c([nH+]1)NCCO2 ZINC000665701834 487734235 /nfs/dbraw/zinc/73/42/35/487734235.db2.gz YLLKLGITXBPIFS-UHFFFAOYSA-N 1 2 234.303 0.996 20 0 BCADLO C[C@H](CO)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665702135 487734294 /nfs/dbraw/zinc/73/42/94/487734294.db2.gz CDCCNLAQYARCHO-SFYZADRCSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@H](CO)[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665702135 487734302 /nfs/dbraw/zinc/73/43/02/487734302.db2.gz CDCCNLAQYARCHO-SFYZADRCSA-N 1 2 238.291 0.710 20 0 BCADLO CN(c1nc[nH+]c2c1OCCN2)[C@H]1CCOC1 ZINC000665700148 487735161 /nfs/dbraw/zinc/73/51/61/487735161.db2.gz NJBLZQZKUZBLIF-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO CN(c1[nH+]cnc2c1OCCN2)[C@H]1CCOC1 ZINC000665700148 487735165 /nfs/dbraw/zinc/73/51/65/487735165.db2.gz NJBLZQZKUZBLIF-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@@]1(O)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665704859 487735757 /nfs/dbraw/zinc/73/57/57/487735757.db2.gz LAMDOTYMMRGEOL-LLVKDONJSA-N 1 2 236.275 0.242 20 0 BCADLO C[C@@]1(O)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665704859 487735760 /nfs/dbraw/zinc/73/57/60/487735760.db2.gz LAMDOTYMMRGEOL-LLVKDONJSA-N 1 2 236.275 0.242 20 0 BCADLO CC(C)[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665705096 487736224 /nfs/dbraw/zinc/73/62/24/487736224.db2.gz CRTXYMASXGUWDS-MRVPVSSYSA-N 1 2 238.291 0.710 20 0 BCADLO CC(C)[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665705096 487736225 /nfs/dbraw/zinc/73/62/25/487736225.db2.gz CRTXYMASXGUWDS-MRVPVSSYSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@@H]1COCCN1c1nc[nH+]c2c1OCCN2 ZINC000665715152 487738036 /nfs/dbraw/zinc/73/80/36/487738036.db2.gz SKHWLRDZBOZQKM-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@@H]1COCCN1c1[nH+]cnc2c1OCCN2 ZINC000665715152 487738041 /nfs/dbraw/zinc/73/80/41/487738041.db2.gz SKHWLRDZBOZQKM-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO CC(C)n1ncnc1C[NH2+]CC(=O)NC1CC1 ZINC000088589427 487738830 /nfs/dbraw/zinc/73/88/30/487738830.db2.gz SSCGSDKTPHRCND-UHFFFAOYSA-N 1 2 237.307 0.227 20 0 BCADLO CCOCC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000675505091 487743639 /nfs/dbraw/zinc/74/36/39/487743639.db2.gz UVLVVFBYVDDSTQ-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO C[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621388 487753849 /nfs/dbraw/zinc/75/38/49/487753849.db2.gz OEVPZSOVTKNEEK-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC(F)(F)C1 ZINC000679639485 487756204 /nfs/dbraw/zinc/75/62/04/487756204.db2.gz YCLANWGCRBELQF-MRVPVSSYSA-N 1 2 241.241 0.923 20 0 BCADLO CCn1nccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000681266089 487764877 /nfs/dbraw/zinc/76/48/77/487764877.db2.gz RKIXHELEZPKDPP-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1=O ZINC000659816816 487767076 /nfs/dbraw/zinc/76/70/76/487767076.db2.gz FHOOJOGRXJJNHL-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C)c2)C1=O ZINC000659816816 487767078 /nfs/dbraw/zinc/76/70/78/487767078.db2.gz FHOOJOGRXJJNHL-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)n1cccn1 ZINC000668447812 487769481 /nfs/dbraw/zinc/76/94/81/487769481.db2.gz BCGQVPIWIHDADQ-UHFFFAOYSA-N 1 2 247.302 1.000 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)OCCCF ZINC000867013837 585329930 /nfs/dbraw/zinc/32/99/30/585329930.db2.gz WQSLWYAWQKBGHM-UHFFFAOYSA-N 1 2 201.201 0.996 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000681326152 487776687 /nfs/dbraw/zinc/77/66/87/487776687.db2.gz VUNDTQUCPYBZCL-QMMMGPOBSA-N 1 2 235.287 0.298 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(O)CCC1 ZINC000681326152 487776694 /nfs/dbraw/zinc/77/66/94/487776694.db2.gz VUNDTQUCPYBZCL-QMMMGPOBSA-N 1 2 235.287 0.298 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cscc2Cl)C[C@@H]1O ZINC000678269815 487789764 /nfs/dbraw/zinc/78/97/64/487789764.db2.gz IREFMLIGXJNFPB-DTORHVGOSA-N 1 2 233.720 0.939 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@@H]1O ZINC000678269815 487789768 /nfs/dbraw/zinc/78/97/68/487789768.db2.gz IREFMLIGXJNFPB-DTORHVGOSA-N 1 2 233.720 0.939 20 0 BCADLO Cc1ccncc1CC(=O)NCCn1cc[nH+]c1 ZINC000666352479 487791912 /nfs/dbraw/zinc/79/19/12/487791912.db2.gz UMEZKLVSRPGYBX-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO CCCn1nccc1C(=O)NCCn1cc[nH+]c1 ZINC000666353207 487792257 /nfs/dbraw/zinc/79/22/57/487792257.db2.gz PPFXYCJFOMWBED-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H](O)C1CC1 ZINC000666365820 487793913 /nfs/dbraw/zinc/79/39/13/487793913.db2.gz DBDOHCPQEHTNFM-NSHDSACASA-N 1 2 249.314 0.535 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000047618355 487794095 /nfs/dbraw/zinc/79/40/95/487794095.db2.gz HHVNBBSYOOFIIY-QWRGUYRKSA-N 1 2 241.335 0.274 20 0 BCADLO COCCC1C[NH+](Cc2nccn2C)C1 ZINC000668473079 487797790 /nfs/dbraw/zinc/79/77/90/487797790.db2.gz XLBQBDNWVMOVDY-UHFFFAOYSA-N 1 2 209.293 0.888 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@H]1CCCOC1)C2 ZINC000674302381 487800053 /nfs/dbraw/zinc/80/00/53/487800053.db2.gz MFAMQCVSXCIVOJ-JTQLQIEISA-N 1 2 221.304 0.957 20 0 BCADLO COCc1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000681476700 487802525 /nfs/dbraw/zinc/80/25/25/487802525.db2.gz SDGSSHWYQCOLAS-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO COCc1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000681476700 487802526 /nfs/dbraw/zinc/80/25/26/487802526.db2.gz SDGSSHWYQCOLAS-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000678273549 487811073 /nfs/dbraw/zinc/81/10/73/487811073.db2.gz SCKRDDJCMHQJPW-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000678273549 487811075 /nfs/dbraw/zinc/81/10/75/487811075.db2.gz SCKRDDJCMHQJPW-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3cn[nH]c3C2)n1 ZINC000678273549 487811080 /nfs/dbraw/zinc/81/10/80/487811080.db2.gz SCKRDDJCMHQJPW-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3cn[nH]c3C2)n1 ZINC000678273549 487811082 /nfs/dbraw/zinc/81/10/82/487811082.db2.gz SCKRDDJCMHQJPW-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000676080583 487811697 /nfs/dbraw/zinc/81/16/97/487811697.db2.gz TUULMCKOMAYQCZ-SFYZADRCSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N[C@@H](C)[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000676080583 487811700 /nfs/dbraw/zinc/81/17/00/487811700.db2.gz TUULMCKOMAYQCZ-SFYZADRCSA-N 1 2 239.323 0.675 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](O)C1 ZINC000681554222 487812271 /nfs/dbraw/zinc/81/22/71/487812271.db2.gz NQZGAAWXBVRHCW-VHSXEESVSA-N 1 2 235.287 0.039 20 0 BCADLO CCn1cnc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000666449976 487812559 /nfs/dbraw/zinc/81/25/59/487812559.db2.gz KUKCEAQYODTCFR-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO COC[C@@H](OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666449977 487813125 /nfs/dbraw/zinc/81/31/25/487813125.db2.gz KUYLKNWEMJGFMF-NXEZZACHSA-N 1 2 241.291 0.049 20 0 BCADLO COC[C@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666449979 487813201 /nfs/dbraw/zinc/81/32/01/487813201.db2.gz KUYLKNWEMJGFMF-UWVGGRQHSA-N 1 2 241.291 0.049 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000265156202 487815681 /nfs/dbraw/zinc/81/56/81/487815681.db2.gz HXDBNODYVVJIQX-MXWKQRLJSA-N 1 2 235.287 0.709 20 0 BCADLO Cc1cc(N2CC[C@@H](n3cncn3)C2)nc[nH+]1 ZINC000681597033 487819619 /nfs/dbraw/zinc/81/96/19/487819619.db2.gz LNTURPLBXCFFQK-SNVBAGLBSA-N 1 2 230.275 0.828 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681600723 487820394 /nfs/dbraw/zinc/82/03/94/487820394.db2.gz AZFHEXXLRDNWHQ-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681600723 487820400 /nfs/dbraw/zinc/82/04/00/487820400.db2.gz AZFHEXXLRDNWHQ-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC/C=C/CO ZINC000666493569 487820928 /nfs/dbraw/zinc/82/09/28/487820928.db2.gz ITDHJKGZKZBJSY-NSCUHMNNSA-N 1 2 221.260 0.482 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000557823268 322942938 /nfs/dbraw/zinc/94/29/38/322942938.db2.gz WTXQGCUVAPIZNU-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)no1 ZINC000681605069 487822601 /nfs/dbraw/zinc/82/26/01/487822601.db2.gz PCIXKKRLVPWCAC-SNVBAGLBSA-N 1 2 219.248 0.713 20 0 BCADLO c1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)no1 ZINC000681605069 487822605 /nfs/dbraw/zinc/82/26/05/487822605.db2.gz PCIXKKRLVPWCAC-SNVBAGLBSA-N 1 2 219.248 0.713 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000782538211 585819783 /nfs/dbraw/zinc/81/97/83/585819783.db2.gz CJLAYYPSTWCSKG-UHFFFAOYSA-N 1 2 233.333 0.143 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOCC2(CC2)C1 ZINC000782538211 585819784 /nfs/dbraw/zinc/81/97/84/585819784.db2.gz CJLAYYPSTWCSKG-UHFFFAOYSA-N 1 2 233.333 0.143 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)[C@H](C)CO1 ZINC000798192321 586139052 /nfs/dbraw/zinc/13/90/52/586139052.db2.gz BZWAQHBKJMYDMT-JRKPZEMJSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)[C@H](C)CO1 ZINC000798192321 586139053 /nfs/dbraw/zinc/13/90/53/586139053.db2.gz BZWAQHBKJMYDMT-JRKPZEMJSA-N 1 2 205.323 0.474 20 0 BCADLO CC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000798194170 586139730 /nfs/dbraw/zinc/13/97/30/586139730.db2.gz WCWUVUBVASHWPT-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000798194170 586139731 /nfs/dbraw/zinc/13/97/31/586139731.db2.gz WCWUVUBVASHWPT-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO CC(C)OC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000496371197 527821698 /nfs/dbraw/zinc/82/16/98/527821698.db2.gz XTGCEUVPNQRXMA-JTQLQIEISA-N 1 2 230.308 0.842 20 0 BCADLO CC(C)OC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000496371197 527821707 /nfs/dbraw/zinc/82/17/07/527821707.db2.gz XTGCEUVPNQRXMA-JTQLQIEISA-N 1 2 230.308 0.842 20 0 BCADLO Cc1nc(N2CC(C(F)F)C2)nc(N(C)C)[nH+]1 ZINC000676306557 487836251 /nfs/dbraw/zinc/83/62/51/487836251.db2.gz UMOYPHGDCXWVIN-UHFFFAOYSA-N 1 2 243.261 0.947 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(C(F)F)C2)[nH+]1 ZINC000676306557 487836255 /nfs/dbraw/zinc/83/62/55/487836255.db2.gz UMOYPHGDCXWVIN-UHFFFAOYSA-N 1 2 243.261 0.947 20 0 BCADLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)CC(N)=O ZINC000505512102 528464739 /nfs/dbraw/zinc/46/47/39/528464739.db2.gz IUGZFVFRLZKFKM-JTQLQIEISA-N 1 2 243.351 0.297 20 0 BCADLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(N)=O ZINC000505512102 528464745 /nfs/dbraw/zinc/46/47/45/528464745.db2.gz IUGZFVFRLZKFKM-JTQLQIEISA-N 1 2 243.351 0.297 20 0 BCADLO CCO/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000493428237 528503885 /nfs/dbraw/zinc/50/38/85/528503885.db2.gz WETARXRMKXZJJD-WTKPLQERSA-N 1 2 242.319 0.327 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000371571811 487840423 /nfs/dbraw/zinc/84/04/23/487840423.db2.gz MQZQSJAZCLVMPC-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000371571811 487840426 /nfs/dbraw/zinc/84/04/26/487840426.db2.gz MQZQSJAZCLVMPC-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO COc1cc(CC(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000668994214 487841285 /nfs/dbraw/zinc/84/12/85/487841285.db2.gz JZPYMJLBPIBCIK-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1cc(CC(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000668994214 487841287 /nfs/dbraw/zinc/84/12/87/487841287.db2.gz JZPYMJLBPIBCIK-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO C[C@]1([NH2+]CCOC(F)F)CCOC1=O ZINC000852065903 588659087 /nfs/dbraw/zinc/65/90/87/588659087.db2.gz LFJSUCDEMLTZFV-QMMMGPOBSA-N 1 2 209.192 0.521 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CN(C)C(=O)O1 ZINC000496494934 528797787 /nfs/dbraw/zinc/79/77/87/528797787.db2.gz XBHOALWQCRXDPX-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000681709941 487842614 /nfs/dbraw/zinc/84/26/14/487842614.db2.gz MXGDNLJVYGXECH-YUMQZZPRSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000681709941 487842618 /nfs/dbraw/zinc/84/26/18/487842618.db2.gz MXGDNLJVYGXECH-YUMQZZPRSA-N 1 2 208.265 0.885 20 0 BCADLO C[N@H+](CC1=CCSC1)[C@H]1CCOC1=O ZINC000852747474 588699717 /nfs/dbraw/zinc/69/97/17/588699717.db2.gz JXRBVLDROWQNNU-VIFPVBQESA-N 1 2 213.302 0.907 20 0 BCADLO C[N@@H+](CC1=CCSC1)[C@H]1CCOC1=O ZINC000852747474 588699718 /nfs/dbraw/zinc/69/97/18/588699718.db2.gz JXRBVLDROWQNNU-VIFPVBQESA-N 1 2 213.302 0.907 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)[nH]1 ZINC000681709939 487846825 /nfs/dbraw/zinc/84/68/25/487846825.db2.gz MXGDNLJVYGXECH-JGVFFNPUSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CCC[C@H]32)[nH]1 ZINC000681709939 487846831 /nfs/dbraw/zinc/84/68/31/487846831.db2.gz MXGDNLJVYGXECH-JGVFFNPUSA-N 1 2 208.265 0.885 20 0 BCADLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000681710097 487846522 /nfs/dbraw/zinc/84/65/22/487846522.db2.gz SVHJYDGAMFRGRE-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000681710097 487846526 /nfs/dbraw/zinc/84/65/26/487846526.db2.gz SVHJYDGAMFRGRE-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO CCOc1cnc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000681732462 487849196 /nfs/dbraw/zinc/84/91/96/487849196.db2.gz BFLGPBBLGUJRCG-UHFFFAOYSA-N 1 2 247.258 0.528 20 0 BCADLO CCOc1cnc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000681732462 487849198 /nfs/dbraw/zinc/84/91/98/487849198.db2.gz BFLGPBBLGUJRCG-UHFFFAOYSA-N 1 2 247.258 0.528 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000681754881 487854829 /nfs/dbraw/zinc/85/48/29/487854829.db2.gz KGUKRSGUEKXZOK-SECBINFHSA-N 1 2 235.287 0.229 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2[nH]ncc2C)C1 ZINC000668498468 487856146 /nfs/dbraw/zinc/85/61/46/487856146.db2.gz KPOJBQGNLHPKTC-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000668498468 487856152 /nfs/dbraw/zinc/85/61/52/487856152.db2.gz KPOJBQGNLHPKTC-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H]1CC(=O)NCCN1Cc1c[nH+]c2n1CCC2 ZINC000668171897 487861780 /nfs/dbraw/zinc/86/17/80/487861780.db2.gz XZTVXBKUNSTRTH-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668171897 487861787 /nfs/dbraw/zinc/86/17/87/487861787.db2.gz XZTVXBKUNSTRTH-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cnc2n1CCC2 ZINC000668171897 487861794 /nfs/dbraw/zinc/86/17/94/487861794.db2.gz XZTVXBKUNSTRTH-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H](CCF)C2)n1 ZINC000661688400 487867797 /nfs/dbraw/zinc/86/77/97/487867797.db2.gz GSKZRJGBHUORQU-SECBINFHSA-N 1 2 227.287 0.782 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H](CCF)C2)n1 ZINC000661688400 487867812 /nfs/dbraw/zinc/86/78/12/487867812.db2.gz GSKZRJGBHUORQU-SECBINFHSA-N 1 2 227.287 0.782 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000676560668 487872503 /nfs/dbraw/zinc/87/25/03/487872503.db2.gz JNKKASJVJYAMBE-UJNFCWOMSA-N 1 2 241.291 0.114 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000676560668 487872510 /nfs/dbraw/zinc/87/25/10/487872510.db2.gz JNKKASJVJYAMBE-UJNFCWOMSA-N 1 2 241.291 0.114 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000676560666 487872695 /nfs/dbraw/zinc/87/26/95/487872695.db2.gz JNKKASJVJYAMBE-HGNGGELXSA-N 1 2 241.291 0.114 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000676560666 487872697 /nfs/dbraw/zinc/87/26/97/487872697.db2.gz JNKKASJVJYAMBE-HGNGGELXSA-N 1 2 241.291 0.114 20 0 BCADLO CC[C@H]1C[N@H+](CC(N)=O)[C@@H](CC)CO1 ZINC000403802491 487891829 /nfs/dbraw/zinc/89/18/29/487891829.db2.gz IOGMNUNCITYWEW-IUCAKERBSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@H]1C[N@@H+](CC(N)=O)[C@@H](CC)CO1 ZINC000403802491 487891837 /nfs/dbraw/zinc/89/18/37/487891837.db2.gz IOGMNUNCITYWEW-IUCAKERBSA-N 1 2 200.282 0.361 20 0 BCADLO Nc1[nH+]cccc1CN1CCCCS1(=O)=O ZINC000396055489 487893439 /nfs/dbraw/zinc/89/34/39/487893439.db2.gz ZOMDHMLCMSTINL-UHFFFAOYSA-N 1 2 241.316 0.589 20 0 BCADLO CO[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1OC ZINC000234958001 487896507 /nfs/dbraw/zinc/89/65/07/487896507.db2.gz KXVIFKMQTOKIEA-PHIMTYICSA-N 1 2 238.287 0.424 20 0 BCADLO Cc1nnc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000668535261 487898032 /nfs/dbraw/zinc/89/80/32/487898032.db2.gz DTGOHQRURJUZFN-UHFFFAOYSA-N 1 2 237.288 0.542 20 0 BCADLO Cn1cccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000668537534 487902270 /nfs/dbraw/zinc/90/22/70/487902270.db2.gz ODZZNMVNXJCNRX-AWEZNQCLSA-N 1 2 249.358 0.932 20 0 BCADLO NC(=O)C[N@H+](Cc1nccc(N)n1)C1CCCC1 ZINC000676715412 487903559 /nfs/dbraw/zinc/90/35/59/487903559.db2.gz WHVSIVRAYPJCDK-UHFFFAOYSA-N 1 2 249.318 0.289 20 0 BCADLO NC(=O)C[N@@H+](Cc1nccc(N)n1)C1CCCC1 ZINC000676715412 487903565 /nfs/dbraw/zinc/90/35/65/487903565.db2.gz WHVSIVRAYPJCDK-UHFFFAOYSA-N 1 2 249.318 0.289 20 0 BCADLO CCC[C@@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000676747577 487915146 /nfs/dbraw/zinc/91/51/46/487915146.db2.gz IHRWFUDPXCOQRA-SNVBAGLBSA-N 1 2 239.319 0.930 20 0 BCADLO CCC[C@H](O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000676750799 487918064 /nfs/dbraw/zinc/91/80/64/487918064.db2.gz TZRUGOKOQHXKMQ-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1c[nH+]c[nH]1 ZINC000676754101 487919271 /nfs/dbraw/zinc/91/92/71/487919271.db2.gz NHMVLDFSUJTGRM-SECBINFHSA-N 1 2 211.265 0.577 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1c[nH]c[nH+]1 ZINC000676754101 487919277 /nfs/dbraw/zinc/91/92/77/487919277.db2.gz NHMVLDFSUJTGRM-SECBINFHSA-N 1 2 211.265 0.577 20 0 BCADLO CC(C)(C(=O)N1CC(C)(F)C1)[NH+]1CCOCC1 ZINC000669911782 487921254 /nfs/dbraw/zinc/92/12/54/487921254.db2.gz KBZBRMXAWPNKMW-UHFFFAOYSA-N 1 2 244.310 0.668 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCNC1=O ZINC000667000570 487926105 /nfs/dbraw/zinc/92/61/05/487926105.db2.gz HHUIDPJKYRIDSC-QMMMGPOBSA-N 1 2 248.286 0.222 20 0 BCADLO c1n[nH]c2c1CC[N@@H+]([C@@H]1CCCOC1)C2 ZINC000676794723 487926873 /nfs/dbraw/zinc/92/68/73/487926873.db2.gz ZINXYFSZPKNDHM-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@H+]([C@@H]1CCCOC1)C2 ZINC000676794723 487926875 /nfs/dbraw/zinc/92/68/75/487926875.db2.gz ZINXYFSZPKNDHM-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000676792007 487929280 /nfs/dbraw/zinc/92/92/80/487929280.db2.gz HQJXAXUFJDFCSQ-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1c[nH]c(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000676792007 487929282 /nfs/dbraw/zinc/92/92/82/487929282.db2.gz HQJXAXUFJDFCSQ-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000676793957 487931447 /nfs/dbraw/zinc/93/14/47/487931447.db2.gz RYQZJHYHIPAMJN-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO c1[nH]nc2c1CC[N@H+](Cc1nnnn1C1CC1)C2 ZINC000676793957 487931448 /nfs/dbraw/zinc/93/14/48/487931448.db2.gz RYQZJHYHIPAMJN-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO Nc1[nH+]cccc1CN1CCCS1(=O)=O ZINC000052733460 487934579 /nfs/dbraw/zinc/93/45/79/487934579.db2.gz QMYDVXAIKITZLX-UHFFFAOYSA-N 1 2 227.289 0.199 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000669933960 487938269 /nfs/dbraw/zinc/93/82/69/487938269.db2.gz LEPNBUBVPWQJDY-RYUDHWBXSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000669933960 487938273 /nfs/dbraw/zinc/93/82/73/487938273.db2.gz LEPNBUBVPWQJDY-RYUDHWBXSA-N 1 2 239.315 0.845 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C1([NH3+])CC1 ZINC000083835760 487941305 /nfs/dbraw/zinc/94/13/05/487941305.db2.gz REQNWAQREBDDBO-UHFFFAOYSA-N 1 2 222.292 0.258 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672144630 487942893 /nfs/dbraw/zinc/94/28/93/487942893.db2.gz BLUWWDDLUCATHC-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCOC1 ZINC000676990546 487951862 /nfs/dbraw/zinc/95/18/62/487951862.db2.gz YQVWNPOWNVDMNF-JTQLQIEISA-N 1 2 223.276 0.568 20 0 BCADLO Cc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)co1 ZINC000669945323 487953344 /nfs/dbraw/zinc/95/33/44/487953344.db2.gz DZYJFYAYTMFJOQ-MRVPVSSYSA-N 1 2 234.259 0.998 20 0 BCADLO Cc1nc(C(=O)NCCn2cc[nH+]c2)co1 ZINC000669945411 487954057 /nfs/dbraw/zinc/95/40/57/487954057.db2.gz HMFPAOWQJHMKEF-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145347 487954155 /nfs/dbraw/zinc/95/41/55/487954155.db2.gz FXICMRIFDFNQHL-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@](O)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000557529173 322938749 /nfs/dbraw/zinc/93/87/49/322938749.db2.gz GVNPZFNYBXJPND-GFCCVEGCSA-N 1 2 235.287 0.427 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCC1CC(O)C1 ZINC000558690209 322953712 /nfs/dbraw/zinc/95/37/12/322953712.db2.gz LZMTXULTFDRAJV-UHFFFAOYSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cn(C(C)C)nn2)c[nH+]1 ZINC000560680972 322991438 /nfs/dbraw/zinc/99/14/38/322991438.db2.gz BZGBJYBAVOPIQY-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1C[C@@H](O)C1)n1cc[nH+]c1 ZINC000566402349 322992421 /nfs/dbraw/zinc/99/24/21/322992421.db2.gz FCBULXHIWXOZJN-LPEHRKFASA-N 1 2 223.276 0.474 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000561347891 323000124 /nfs/dbraw/zinc/00/01/24/323000124.db2.gz KOMWRKJWBPZQOH-RKDXNWHRSA-N 1 2 222.292 0.333 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000561347891 323000125 /nfs/dbraw/zinc/00/01/25/323000125.db2.gz KOMWRKJWBPZQOH-RKDXNWHRSA-N 1 2 222.292 0.333 20 0 BCADLO CCN(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000561529175 323003434 /nfs/dbraw/zinc/00/34/34/323003434.db2.gz YRHXYLHVLBRHCM-UHFFFAOYSA-N 1 2 208.265 0.812 20 0 BCADLO CCOC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000561708236 323005695 /nfs/dbraw/zinc/00/56/95/323005695.db2.gz UTWIZZYRGSNRNA-UHFFFAOYSA-N 1 2 209.249 0.130 20 0 BCADLO CC(C)N1CC[N@H+](Cc2ncccc2O)CC1=O ZINC000561956873 323009428 /nfs/dbraw/zinc/00/94/28/323009428.db2.gz LMKSMHMQJUAKOQ-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CC(C)N1CC[N@@H+](Cc2ncccc2O)CC1=O ZINC000561956873 323009429 /nfs/dbraw/zinc/00/94/29/323009429.db2.gz LMKSMHMQJUAKOQ-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2cnc[nH]2)CCC1=O ZINC000566686671 323010701 /nfs/dbraw/zinc/01/07/01/323010701.db2.gz DYMQLCJHOSFZCS-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2cnc[nH]2)CCC1=O ZINC000566686671 323010702 /nfs/dbraw/zinc/01/07/02/323010702.db2.gz DYMQLCJHOSFZCS-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000131235937 323012743 /nfs/dbraw/zinc/01/27/43/323012743.db2.gz IHAFSTZCDDFBKU-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000131235937 323012744 /nfs/dbraw/zinc/01/27/44/323012744.db2.gz IHAFSTZCDDFBKU-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(=O)N(CC)CC ZINC000562477141 323021350 /nfs/dbraw/zinc/02/13/50/323021350.db2.gz FXARGTJCDHTTRZ-GFCCVEGCSA-N 1 2 241.379 0.881 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC(=O)N(CC)CC ZINC000562477141 323021351 /nfs/dbraw/zinc/02/13/51/323021351.db2.gz FXARGTJCDHTTRZ-GFCCVEGCSA-N 1 2 241.379 0.881 20 0 BCADLO COCC[C@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000562587913 323025112 /nfs/dbraw/zinc/02/51/12/323025112.db2.gz GULTWBDJJJBYGS-NSHDSACASA-N 1 2 241.291 0.663 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000522024298 323032271 /nfs/dbraw/zinc/03/22/71/323032271.db2.gz ALHMJXWKHVSHHC-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000567044599 323032858 /nfs/dbraw/zinc/03/28/58/323032858.db2.gz DDJABUBDADVTBE-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000567044599 323032859 /nfs/dbraw/zinc/03/28/59/323032859.db2.gz DDJABUBDADVTBE-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CC(=O)N1C ZINC000562901081 323033096 /nfs/dbraw/zinc/03/30/96/323033096.db2.gz LMSHVCIOJZLQRW-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CC(=O)N1C ZINC000562901081 323033097 /nfs/dbraw/zinc/03/30/97/323033097.db2.gz LMSHVCIOJZLQRW-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000569716591 323038531 /nfs/dbraw/zinc/03/85/31/323038531.db2.gz CJOYCWSQPOAPIZ-ILWJIGKKSA-N 1 2 205.261 0.798 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CNC(=O)C2)c(C)c[nH+]1 ZINC000569768188 323040085 /nfs/dbraw/zinc/04/00/85/323040085.db2.gz BXHIJFLPLVPCEX-SECBINFHSA-N 1 2 248.286 0.130 20 0 BCADLO CN1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)CC1=O ZINC000569907665 323044213 /nfs/dbraw/zinc/04/42/13/323044213.db2.gz DMTPFFNQNZJVOZ-VIFPVBQESA-N 1 2 247.302 0.694 20 0 BCADLO CN1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)CC1=O ZINC000569907665 323044214 /nfs/dbraw/zinc/04/42/14/323044214.db2.gz DMTPFFNQNZJVOZ-VIFPVBQESA-N 1 2 247.302 0.694 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000569950335 323045537 /nfs/dbraw/zinc/04/55/37/323045537.db2.gz AWPDVVBZVRJZNZ-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CCc1nnc([C@H](C)NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000569948045 323045557 /nfs/dbraw/zinc/04/55/57/323045557.db2.gz NSHHFQAWFRQGMD-QMMMGPOBSA-N 1 2 248.290 0.441 20 0 BCADLO CCc1nc([C@H](C)NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000569948045 323045558 /nfs/dbraw/zinc/04/55/58/323045558.db2.gz NSHHFQAWFRQGMD-QMMMGPOBSA-N 1 2 248.290 0.441 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1CCCC1=O)[NH+]1CC(C)C1 ZINC000570105072 323050051 /nfs/dbraw/zinc/05/00/51/323050051.db2.gz UORIWDZIXPEDJF-QWRGUYRKSA-N 1 2 238.331 0.812 20 0 BCADLO CCn1cc([C@@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC000570730601 323068640 /nfs/dbraw/zinc/06/86/40/323068640.db2.gz XFCJPVWWDAUDSS-SNVBAGLBSA-N 1 2 247.302 0.977 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000157445135 323069638 /nfs/dbraw/zinc/06/96/38/323069638.db2.gz PALGBSDWOWZWRU-SECBINFHSA-N 1 2 230.308 0.252 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000157445135 323069639 /nfs/dbraw/zinc/06/96/39/323069639.db2.gz PALGBSDWOWZWRU-SECBINFHSA-N 1 2 230.308 0.252 20 0 BCADLO O=C1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)CN1 ZINC000570790252 323070306 /nfs/dbraw/zinc/07/03/06/323070306.db2.gz MEZUZCZIUWAKQV-VIFPVBQESA-N 1 2 247.302 0.599 20 0 BCADLO O=C1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)CN1 ZINC000570790252 323070307 /nfs/dbraw/zinc/07/03/07/323070307.db2.gz MEZUZCZIUWAKQV-VIFPVBQESA-N 1 2 247.302 0.599 20 0 BCADLO CCCC[C@H](C(=O)OC)[NH+]1CC(C)(C(N)=O)C1 ZINC000563069253 323084540 /nfs/dbraw/zinc/08/45/40/323084540.db2.gz SQUGTTBGTAPREN-SECBINFHSA-N 1 2 242.319 0.525 20 0 BCADLO CCc1nnc(NC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC000182256867 323084906 /nfs/dbraw/zinc/08/49/06/323084906.db2.gz HWBXTRYNWWJZGO-SSDOTTSWSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1n[nH]c(NC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC000182256867 323084907 /nfs/dbraw/zinc/08/49/07/323084907.db2.gz HWBXTRYNWWJZGO-SSDOTTSWSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1nc(NC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC000182256867 323084908 /nfs/dbraw/zinc/08/49/08/323084908.db2.gz HWBXTRYNWWJZGO-SSDOTTSWSA-N 1 2 225.296 0.646 20 0 BCADLO CN(C)C(=O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493186843 323085511 /nfs/dbraw/zinc/08/55/11/323085511.db2.gz JQFYGJUXDLAYRI-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000046742964 323096933 /nfs/dbraw/zinc/09/69/33/323096933.db2.gz OYWUWTYPHNOMRR-NSHDSACASA-N 1 2 242.319 0.004 20 0 BCADLO C[C@H](CC(N)=O)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563217064 323103609 /nfs/dbraw/zinc/10/36/09/323103609.db2.gz KWJJFFAJDYQHCW-BDAKNGLRSA-N 1 2 238.291 0.214 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000571035395 323104200 /nfs/dbraw/zinc/10/42/00/323104200.db2.gz LPNAZKKIDTXXAU-FIQHERPVSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000571035395 323104201 /nfs/dbraw/zinc/10/42/01/323104201.db2.gz LPNAZKKIDTXXAU-FIQHERPVSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000571035397 323104310 /nfs/dbraw/zinc/10/43/10/323104310.db2.gz LPNAZKKIDTXXAU-WHOHXGKFSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000571035397 323104311 /nfs/dbraw/zinc/10/43/11/323104311.db2.gz LPNAZKKIDTXXAU-WHOHXGKFSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H](CC(=O)N1C[C@H](O)C[C@H]1C)n1cc[nH+]c1 ZINC000563255848 323106993 /nfs/dbraw/zinc/10/69/93/323106993.db2.gz NUBYJBLXBJCUIA-GMTAPVOTSA-N 1 2 237.303 0.816 20 0 BCADLO O=C([C@@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000534269137 323115403 /nfs/dbraw/zinc/11/54/03/323115403.db2.gz FEUIDUUEQQHNJW-JTQLQIEISA-N 1 2 221.260 0.445 20 0 BCADLO O=C(NCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC000534276126 323115458 /nfs/dbraw/zinc/11/54/58/323115458.db2.gz JAFQPCJAYXOJCQ-SECBINFHSA-N 1 2 225.267 0.921 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000531866890 323118423 /nfs/dbraw/zinc/11/84/23/323118423.db2.gz LGSOQUSBFAXPOQ-JTQLQIEISA-N 1 2 224.304 0.376 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000531866890 323118424 /nfs/dbraw/zinc/11/84/24/323118424.db2.gz LGSOQUSBFAXPOQ-JTQLQIEISA-N 1 2 224.304 0.376 20 0 BCADLO CCn1nnc(C)c1C[N@@H+]1CCn2nncc2C1 ZINC000563365979 323121340 /nfs/dbraw/zinc/12/13/40/323121340.db2.gz HGDXMCGDROPOMT-UHFFFAOYSA-N 1 2 247.306 0.214 20 0 BCADLO CCn1nnc(C)c1C[N@H+]1CCn2nncc2C1 ZINC000563365979 323121341 /nfs/dbraw/zinc/12/13/41/323121341.db2.gz HGDXMCGDROPOMT-UHFFFAOYSA-N 1 2 247.306 0.214 20 0 BCADLO CC(C)(CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000563383784 323122049 /nfs/dbraw/zinc/12/20/49/323122049.db2.gz JGBYYAOKSOBXBO-UHFFFAOYSA-N 1 2 223.276 0.285 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000563383270 323122068 /nfs/dbraw/zinc/12/20/68/323122068.db2.gz LQTVVSWZYYFXQY-SDDRHHMPSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)NC(C)C)[nH]c1C ZINC000563440513 323125848 /nfs/dbraw/zinc/12/58/48/323125848.db2.gz LYXZIKVJOYFJAE-UHFFFAOYSA-N 1 2 224.308 0.641 20 0 BCADLO Cc1[nH]c(CNCC(=O)NC(C)C)[nH+]c1C ZINC000563440513 323125849 /nfs/dbraw/zinc/12/58/49/323125849.db2.gz LYXZIKVJOYFJAE-UHFFFAOYSA-N 1 2 224.308 0.641 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCC1=O ZINC000563468525 323127594 /nfs/dbraw/zinc/12/75/94/323127594.db2.gz UYOKGBXTVFAQRU-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCC1=O ZINC000563468525 323127595 /nfs/dbraw/zinc/12/75/95/323127595.db2.gz UYOKGBXTVFAQRU-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nncn1C1CC1 ZINC000563631561 323132701 /nfs/dbraw/zinc/13/27/01/323132701.db2.gz OREGOMUUSBZEDH-UHFFFAOYSA-N 1 2 232.247 0.448 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000571078201 323134906 /nfs/dbraw/zinc/13/49/06/323134906.db2.gz IUALTMKAIJMHEG-IONNQARKSA-N 1 2 243.332 0.542 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571105383 323135658 /nfs/dbraw/zinc/13/56/58/323135658.db2.gz COONRETTXFPOJN-SNVBAGLBSA-N 1 2 234.303 0.666 20 0 BCADLO CC(C)(NC(=O)c1csnn1)c1[nH]cc[nH+]1 ZINC000571336406 323141825 /nfs/dbraw/zinc/14/18/25/323141825.db2.gz HXBUPBQGHSSKQP-UHFFFAOYSA-N 1 2 237.288 0.926 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2nccn2C)C1 ZINC000571346093 323142246 /nfs/dbraw/zinc/14/22/46/323142246.db2.gz ZSPPJIGNIPPXSQ-MRVPVSSYSA-N 1 2 222.292 0.301 20 0 BCADLO C[C@@H](C(=O)N1CCc2[nH]nnc2C1)[NH+]1CC(C)C1 ZINC000571654451 323151312 /nfs/dbraw/zinc/15/13/12/323151312.db2.gz NNTVLVFSIBHPGE-VIFPVBQESA-N 1 2 249.318 0.030 20 0 BCADLO C[C@H](C(=O)N1CCc2[nH]nnc2C1)[NH+]1CC(C)C1 ZINC000571654448 323151318 /nfs/dbraw/zinc/15/13/18/323151318.db2.gz NNTVLVFSIBHPGE-SECBINFHSA-N 1 2 249.318 0.030 20 0 BCADLO C[N@H+](CC(=O)N1CCNC1=O)Cc1ccoc1 ZINC000048839390 323156054 /nfs/dbraw/zinc/15/60/54/323156054.db2.gz LHIWWGYGVUBFHN-UHFFFAOYSA-N 1 2 237.259 0.263 20 0 BCADLO C[N@@H+](CC(=O)N1CCNC1=O)Cc1ccoc1 ZINC000048839390 323156055 /nfs/dbraw/zinc/15/60/55/323156055.db2.gz LHIWWGYGVUBFHN-UHFFFAOYSA-N 1 2 237.259 0.263 20 0 BCADLO COC(=O)[C@@](C)(NCc1[nH+]ccn1C)C1CC1 ZINC000535051512 323164589 /nfs/dbraw/zinc/16/45/89/323164589.db2.gz PDBQQHPDWUDSMH-LBPRGKRZSA-N 1 2 237.303 0.851 20 0 BCADLO COC(=O)[C@](C)(NCc1[nH+]ccn1C)C1CC1 ZINC000535051510 323164650 /nfs/dbraw/zinc/16/46/50/323164650.db2.gz PDBQQHPDWUDSMH-GFCCVEGCSA-N 1 2 237.303 0.851 20 0 BCADLO COCC1(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000531999540 323166181 /nfs/dbraw/zinc/16/61/81/323166181.db2.gz LFJLKVPYBVRICG-UHFFFAOYSA-N 1 2 238.291 0.361 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000112683860 323171597 /nfs/dbraw/zinc/17/15/97/323171597.db2.gz FEGNLEVHZJXOMZ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000112683860 323171598 /nfs/dbraw/zinc/17/15/98/323171598.db2.gz FEGNLEVHZJXOMZ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000306416191 323172770 /nfs/dbraw/zinc/17/27/70/323172770.db2.gz QPFSVCOCAZUXBU-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO COc1ccnc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000532088839 323174770 /nfs/dbraw/zinc/17/47/70/323174770.db2.gz FUUISHGLOQVDPA-UHFFFAOYSA-N 1 2 231.259 0.743 20 0 BCADLO CO[C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000563739595 323176448 /nfs/dbraw/zinc/17/64/48/323176448.db2.gz MLRCWFXLPHEJMK-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCn1cc[nH+]c1 ZINC000529788950 323188637 /nfs/dbraw/zinc/18/86/37/323188637.db2.gz ZBPBBSKEMNDYRO-GXFFZTMASA-N 1 2 249.314 0.957 20 0 BCADLO Cc1nnc(CC(=O)Nc2cc(C)[nH+]cc2C)o1 ZINC000535748762 323190351 /nfs/dbraw/zinc/19/03/51/323190351.db2.gz XSWROGVXHFLTCT-UHFFFAOYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cc(NC(=O)Cn2cccn2)c(C)c[nH+]1 ZINC000536574570 323197964 /nfs/dbraw/zinc/19/79/64/323197964.db2.gz FYKICLMCUBIMPG-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767520 323198447 /nfs/dbraw/zinc/19/84/47/323198447.db2.gz IQFYPBVESZICLS-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767520 323198448 /nfs/dbraw/zinc/19/84/48/323198448.db2.gz IQFYPBVESZICLS-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO COC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000563900341 323221661 /nfs/dbraw/zinc/22/16/61/323221661.db2.gz SGNPGSYBCQATFZ-MRVPVSSYSA-N 1 2 211.265 0.114 20 0 BCADLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245340 323244947 /nfs/dbraw/zinc/24/49/47/323244947.db2.gz OVCIIMWOCCFSSK-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO COCC1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000532525185 323274212 /nfs/dbraw/zinc/27/42/12/323274212.db2.gz DXMYRQXJPZQTOQ-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCF ZINC000532618126 323279047 /nfs/dbraw/zinc/27/90/47/323279047.db2.gz HKZZIIKNMNFVNV-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCCF ZINC000532618126 323279052 /nfs/dbraw/zinc/27/90/52/323279052.db2.gz HKZZIIKNMNFVNV-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1cncc(O)c1 ZINC000532790604 323298171 /nfs/dbraw/zinc/29/81/71/323298171.db2.gz ACAVLYBATQITDT-UHFFFAOYSA-N 1 2 221.260 0.223 20 0 BCADLO C[C@H](CO)CCCNC(=O)Cn1cc[nH+]c1 ZINC000309265790 323337240 /nfs/dbraw/zinc/33/72/40/323337240.db2.gz CSBNZUAPBPUAOW-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO CCOC(=O)CC(=O)NCc1[nH+]ccn1CC ZINC000571896161 323501354 /nfs/dbraw/zinc/50/13/54/323501354.db2.gz YFULEWSKWBOQSE-UHFFFAOYSA-N 1 2 239.275 0.472 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(=O)[nH]c1 ZINC000572332882 323599183 /nfs/dbraw/zinc/59/91/83/323599183.db2.gz ZRHQIROHHSPNEG-UHFFFAOYSA-N 1 2 232.243 0.702 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](O)Cn1ccnn1 ZINC000528034487 323742440 /nfs/dbraw/zinc/74/24/40/323742440.db2.gz YNUPCWIHUORKOG-VIFPVBQESA-N 1 2 249.274 0.155 20 0 BCADLO C[C@H](O)CN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667252245 487961537 /nfs/dbraw/zinc/96/15/37/487961537.db2.gz DBAVLXMWZXKSQA-IUCAKERBSA-N 1 2 240.307 0.503 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccncc1 ZINC000123078484 324080035 /nfs/dbraw/zinc/08/00/35/324080035.db2.gz BFBMCBNQPNBRHM-UHFFFAOYSA-N 1 2 216.244 0.777 20 0 BCADLO C[N@H+](Cc1cnc2cnccn12)[C@@H]1CCNC1=O ZINC000537698451 324097777 /nfs/dbraw/zinc/09/77/77/324097777.db2.gz SDSWESZVQWPIKW-SNVBAGLBSA-N 1 2 245.286 0.050 20 0 BCADLO C[N@@H+](Cc1cnc2cnccn12)[C@@H]1CCNC1=O ZINC000537698451 324097779 /nfs/dbraw/zinc/09/77/79/324097779.db2.gz SDSWESZVQWPIKW-SNVBAGLBSA-N 1 2 245.286 0.050 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccncc2)CCO1 ZINC000523440074 324206941 /nfs/dbraw/zinc/20/69/41/324206941.db2.gz BPNIFWIZTXTADJ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccncc2)CCO1 ZINC000523440074 324206944 /nfs/dbraw/zinc/20/69/44/324206944.db2.gz BPNIFWIZTXTADJ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC000529071126 324243227 /nfs/dbraw/zinc/24/32/27/324243227.db2.gz STLCQGBRSXCDBU-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO CCc1nc(CNC(=O)Cn2c[nH+]cc2C)n[nH]1 ZINC000529431529 324295921 /nfs/dbraw/zinc/29/59/21/324295921.db2.gz DXOVFTRBVYAYTC-UHFFFAOYSA-N 1 2 248.290 0.188 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CCCOC1 ZINC000529604663 324361682 /nfs/dbraw/zinc/36/16/82/324361682.db2.gz FTLHKBABLUMHEJ-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)co1 ZINC000669956939 487963345 /nfs/dbraw/zinc/96/33/45/487963345.db2.gz HAJRXXSBNZMTDL-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)co1 ZINC000669956939 487963348 /nfs/dbraw/zinc/96/33/48/487963348.db2.gz HAJRXXSBNZMTDL-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO C[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667254493 487963431 /nfs/dbraw/zinc/96/34/31/487963431.db2.gz SKFHQHXYJUFZQX-SFYZADRCSA-N 1 2 226.280 0.161 20 0 BCADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000660377025 487964552 /nfs/dbraw/zinc/96/45/52/487964552.db2.gz AOOYRRJTMCIRNB-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000660377025 487964555 /nfs/dbraw/zinc/96/45/55/487964555.db2.gz AOOYRRJTMCIRNB-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538932176 324814330 /nfs/dbraw/zinc/81/43/30/324814330.db2.gz OXHFZAAFZHVSLS-MWLCHTKSSA-N 1 2 235.287 0.691 20 0 BCADLO Cc1nc(N2CC3CC2(C)C3)nc(N)[nH+]1 ZINC000631385882 487966803 /nfs/dbraw/zinc/96/68/03/487966803.db2.gz PWDKMLHSJOECSP-UHFFFAOYSA-N 1 2 205.265 0.751 20 0 BCADLO Cc1nc(N)nc(N2CC3CC2(C)C3)[nH+]1 ZINC000631385882 487966807 /nfs/dbraw/zinc/96/68/07/487966807.db2.gz PWDKMLHSJOECSP-UHFFFAOYSA-N 1 2 205.265 0.751 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CS1 ZINC000567510061 324962610 /nfs/dbraw/zinc/96/26/10/324962610.db2.gz UAONZNYIRAJSRJ-RKDXNWHRSA-N 1 2 225.317 0.893 20 0 BCADLO COC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000130078125 325010606 /nfs/dbraw/zinc/01/06/06/325010606.db2.gz MQNIEUPUDOTFOP-VIFPVBQESA-N 1 2 231.292 0.821 20 0 BCADLO COC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000130078125 325010607 /nfs/dbraw/zinc/01/06/07/325010607.db2.gz MQNIEUPUDOTFOP-VIFPVBQESA-N 1 2 231.292 0.821 20 0 BCADLO Cn1cc(C[NH+](C)Cc2cnn(C)c2)cn1 ZINC000071090442 325053733 /nfs/dbraw/zinc/05/37/33/325053733.db2.gz ZPQJEDTULFUEIV-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cnns1 ZINC000543409532 325086982 /nfs/dbraw/zinc/08/69/82/325086982.db2.gz UKTRYIMMPCRAMV-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO Cc1nn(C)cc1C(=O)NCCc1c[nH+]cn1C ZINC000544365750 325139071 /nfs/dbraw/zinc/13/90/71/325139071.db2.gz QDNVIBXAYRJTGK-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO Cn1cccc1C(=O)NCCc1c[nH+]cn1C ZINC000544368792 325140025 /nfs/dbraw/zinc/14/00/25/325140025.db2.gz ZIRFASLIJYSBMH-UHFFFAOYSA-N 1 2 232.287 0.731 20 0 BCADLO CCCCNC(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000544513397 325145203 /nfs/dbraw/zinc/14/52/03/325145203.db2.gz QEMWXHBQOXTGSC-MRVPVSSYSA-N 1 2 240.307 0.945 20 0 BCADLO COCCOCC(=O)Nc1c[nH+]ccc1OC ZINC000131418005 325147818 /nfs/dbraw/zinc/14/78/18/325147818.db2.gz DMULPBHZICSEEJ-UHFFFAOYSA-N 1 2 240.259 0.692 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@]2(C)CO)no1 ZINC000544759807 325158210 /nfs/dbraw/zinc/15/82/10/325158210.db2.gz CHQSDADKHAOQMN-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@]2(C)CO)no1 ZINC000544759807 325158213 /nfs/dbraw/zinc/15/82/13/325158213.db2.gz CHQSDADKHAOQMN-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ncccc1F ZINC000132330395 325211813 /nfs/dbraw/zinc/21/18/13/325211813.db2.gz UORZZSCTABCPIZ-QMMMGPOBSA-N 1 2 246.307 0.743 20 0 BCADLO COC(=O)[C@H]([NH2+]CCN1CCCC1=O)C(C)C ZINC000132398603 325213572 /nfs/dbraw/zinc/21/35/72/325213572.db2.gz LOPYIWWRJOZHIA-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO O=C([C@H]1C[C@@]12CCOC2)N1CC(n2cc[nH+]c2)C1 ZINC000545895024 325243685 /nfs/dbraw/zinc/24/36/85/325243685.db2.gz LXOQSEWSAPWLOZ-DGCLKSJQSA-N 1 2 247.298 0.693 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CCn1cncn1 ZINC000132862967 325249977 /nfs/dbraw/zinc/24/99/77/325249977.db2.gz FIEVKAMXAFSTJT-UHFFFAOYSA-N 1 2 247.258 0.711 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1ncccc1O ZINC000564298082 325255774 /nfs/dbraw/zinc/25/57/74/325255774.db2.gz DFJIMFZOPGAXGT-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1ncccc1O ZINC000564298082 325255778 /nfs/dbraw/zinc/25/57/78/325255778.db2.gz DFJIMFZOPGAXGT-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CC[C@H](C)O ZINC000075781051 325311963 /nfs/dbraw/zinc/31/19/63/325311963.db2.gz HKLLVVRCFRJFLL-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CC[C@H](C)O ZINC000075781051 325311962 /nfs/dbraw/zinc/31/19/62/325311962.db2.gz HKLLVVRCFRJFLL-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO C[C@H](CNC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000133831129 325323156 /nfs/dbraw/zinc/32/31/56/325323156.db2.gz WLPBQZMFRHALSI-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO Cc1cnc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000134496015 325361458 /nfs/dbraw/zinc/36/14/58/325361458.db2.gz UKJQZXFAFVURTO-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000547482066 325361583 /nfs/dbraw/zinc/36/15/83/325361583.db2.gz LDZIKSGLAUEMTK-IJLUTSLNSA-N 1 2 249.314 0.504 20 0 BCADLO C[C@H]1C[N@H+](CCNc2ccncc2C#N)CCO1 ZINC000547501935 325365109 /nfs/dbraw/zinc/36/51/09/325365109.db2.gz HCCHVPXCPFNWGX-NSHDSACASA-N 1 2 246.314 0.508 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2ccncc2C#N)CCO1 ZINC000547501935 325365111 /nfs/dbraw/zinc/36/51/11/325365111.db2.gz HCCHVPXCPFNWGX-NSHDSACASA-N 1 2 246.314 0.508 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2ccncc2C#N)CCO1 ZINC000547501934 325365398 /nfs/dbraw/zinc/36/53/98/325365398.db2.gz HCCHVPXCPFNWGX-LLVKDONJSA-N 1 2 246.314 0.508 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2ccncc2C#N)CCO1 ZINC000547501934 325365400 /nfs/dbraw/zinc/36/54/00/325365400.db2.gz HCCHVPXCPFNWGX-LLVKDONJSA-N 1 2 246.314 0.508 20 0 BCADLO O=C(NCCCF)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547627583 325376041 /nfs/dbraw/zinc/37/60/41/325376041.db2.gz UKLRBJKOZJAJHU-SECBINFHSA-N 1 2 240.282 0.857 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCCO1 ZINC000134817954 325378065 /nfs/dbraw/zinc/37/80/65/325378065.db2.gz GUHRNTSIIMCZKQ-ZETCQYMHSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCCO1 ZINC000134817954 325378067 /nfs/dbraw/zinc/37/80/67/325378067.db2.gz GUHRNTSIIMCZKQ-ZETCQYMHSA-N 1 2 224.264 0.658 20 0 BCADLO C[C@H]1[C@H](C(=O)NCCc2c[nH+]cn2C)C1(F)F ZINC000547804145 325400375 /nfs/dbraw/zinc/40/03/75/325400375.db2.gz TZDJAAGNBCVBIK-IONNQARKSA-N 1 2 243.257 0.980 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000547863485 325409985 /nfs/dbraw/zinc/40/99/85/325409985.db2.gz GYYVKEFFAITUDG-DTWKUNHWSA-N 1 2 207.277 0.735 20 0 BCADLO O=C(c1ncccc1O)N1CC(n2cc[nH+]c2)C1 ZINC000547979124 325417640 /nfs/dbraw/zinc/41/76/40/325417640.db2.gz XZIJIGOTNSVMCE-UHFFFAOYSA-N 1 2 244.254 0.681 20 0 BCADLO Cc1cc(N2CCc3n[nH]c(=O)cc3C2)nc[nH+]1 ZINC000548118740 325432151 /nfs/dbraw/zinc/43/21/51/325432151.db2.gz NZFRFHFRUHNYRZ-UHFFFAOYSA-N 1 2 243.270 0.843 20 0 BCADLO CC[C@@H](C)OCC(=O)NCCc1c[nH+]cn1C ZINC000548460210 325460205 /nfs/dbraw/zinc/46/02/05/325460205.db2.gz MLMHQTGRGAKKHJ-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000549110034 325497527 /nfs/dbraw/zinc/49/75/27/325497527.db2.gz PUIBELBWVNQCIZ-UHFFFAOYSA-N 1 2 243.270 0.754 20 0 BCADLO Cc1nc(N2C[C@@H](C)O[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631253561 487968398 /nfs/dbraw/zinc/96/83/98/487968398.db2.gz HUBZWMUJMUTNMJ-XCBNKYQSSA-N 1 2 249.318 0.766 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)O[C@H](C3CC3)C2)[nH+]1 ZINC000631253561 487968404 /nfs/dbraw/zinc/96/84/04/487968404.db2.gz HUBZWMUJMUTNMJ-XCBNKYQSSA-N 1 2 249.318 0.766 20 0 BCADLO Cc1cncc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000551661051 325563825 /nfs/dbraw/zinc/56/38/25/325563825.db2.gz CQTLRZMDRQTUNX-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO Cc1nc(N2C[C@@H]3C[C@H]2CS3)nc(N)[nH+]1 ZINC000631299101 487968117 /nfs/dbraw/zinc/96/81/17/487968117.db2.gz PGNZVOQZWGYTFW-BQBZGAKWSA-N 1 2 223.305 0.456 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000631299101 487968129 /nfs/dbraw/zinc/96/81/29/487968129.db2.gz PGNZVOQZWGYTFW-BQBZGAKWSA-N 1 2 223.305 0.456 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC2(CC(F)C2)C1 ZINC000677109563 487968984 /nfs/dbraw/zinc/96/89/84/487968984.db2.gz ZZBHEQOICPHCFR-UHFFFAOYSA-N 1 2 223.251 0.844 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@H]1O ZINC000249150838 325639372 /nfs/dbraw/zinc/63/93/72/325639372.db2.gz WVUXGPBHBCPMSI-PSASIEDQSA-N 1 2 247.302 0.570 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000553095140 325676816 /nfs/dbraw/zinc/67/68/16/325676816.db2.gz HWRNCOFQGUACFM-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000553095142 325676830 /nfs/dbraw/zinc/67/68/30/325676830.db2.gz HWRNCOFQGUACFM-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC000554090909 325706051 /nfs/dbraw/zinc/70/60/51/325706051.db2.gz BMYRMFCOPZBJDO-JTQLQIEISA-N 1 2 239.319 0.343 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1(C(F)F)CC1 ZINC000554593295 325730287 /nfs/dbraw/zinc/73/02/87/325730287.db2.gz XYMJZOXOAQYBHE-UHFFFAOYSA-N 1 2 229.230 0.877 20 0 BCADLO C[C@@]1(O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000235475353 487969313 /nfs/dbraw/zinc/96/93/13/487969313.db2.gz VTNKOHHIDQWGIM-LLVKDONJSA-N 1 2 208.261 0.535 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000555023392 325743409 /nfs/dbraw/zinc/74/34/09/325743409.db2.gz JGSCHMXJCOGTAR-LLVKDONJSA-N 1 2 223.276 0.257 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccccn1 ZINC000555950653 325774374 /nfs/dbraw/zinc/77/43/74/325774374.db2.gz VHNCALVZMFNIHW-UHFFFAOYSA-N 1 2 241.316 0.066 20 0 BCADLO CC(C)OC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000564799007 325810229 /nfs/dbraw/zinc/81/02/29/325810229.db2.gz FIXKYLSMXNKOKX-IUCAKERBSA-N 1 2 241.278 0.378 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@@]2(C)CCOC2)C1 ZINC000565372633 325903281 /nfs/dbraw/zinc/90/32/81/325903281.db2.gz MDZORLCBTVHGMH-CYBMUJFWSA-N 1 2 240.347 0.871 20 0 BCADLO CC(C)CC[C@H](O)C[NH2+]Cc1ncn(C)n1 ZINC000566113039 325997622 /nfs/dbraw/zinc/99/76/22/325997622.db2.gz CHGOJEUYQMQFIQ-JTQLQIEISA-N 1 2 226.324 0.702 20 0 BCADLO O=C(NCc1ccno1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566293120 326029705 /nfs/dbraw/zinc/02/97/05/326029705.db2.gz ZKQKMZXEGLHIIM-SECBINFHSA-N 1 2 246.270 0.750 20 0 BCADLO C[C@H](CC(=O)NC[C@H](O)C1CC1)n1cc[nH+]c1 ZINC000566331368 326034269 /nfs/dbraw/zinc/03/42/69/326034269.db2.gz LEVINXNCNRIHTK-KOLCDFICSA-N 1 2 237.303 0.721 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cccn1 ZINC000566435519 326046832 /nfs/dbraw/zinc/04/68/32/326046832.db2.gz KEHCNBFAHPGTIO-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCn1cccn1 ZINC000566435519 326046834 /nfs/dbraw/zinc/04/68/34/326046834.db2.gz KEHCNBFAHPGTIO-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1c(C)cnn1C ZINC000566465210 326051786 /nfs/dbraw/zinc/05/17/86/326051786.db2.gz GKSCTCIOXKJDLC-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO COCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566688300 326074477 /nfs/dbraw/zinc/07/44/77/326074477.db2.gz YNQZVFVGVPFUJO-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO COCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566688300 326074479 /nfs/dbraw/zinc/07/44/79/326074479.db2.gz YNQZVFVGVPFUJO-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CCn1nncc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566802682 326084358 /nfs/dbraw/zinc/08/43/58/326084358.db2.gz PVBBTVUIYVUUEU-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO CC(C)c1nc(N2CC(O)(CO)C2)cc[nH+]1 ZINC000566867334 326090718 /nfs/dbraw/zinc/09/07/18/326090718.db2.gz XKXWQWDCUHWSCD-UHFFFAOYSA-N 1 2 223.276 0.143 20 0 BCADLO CCC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566918559 326094587 /nfs/dbraw/zinc/09/45/87/326094587.db2.gz NDKPRNIENRVXFP-VIFPVBQESA-N 1 2 223.276 0.930 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)CCN1CC(F)F ZINC000153554433 326102106 /nfs/dbraw/zinc/10/21/06/326102106.db2.gz YTVWOYPSSUIPSB-VIFPVBQESA-N 1 2 249.305 0.394 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)CCN1CC(F)F ZINC000153554433 326102108 /nfs/dbraw/zinc/10/21/08/326102108.db2.gz YTVWOYPSSUIPSB-VIFPVBQESA-N 1 2 249.305 0.394 20 0 BCADLO Cc1[nH]c(CN[C@@H]2CCCCNC2=O)[nH+]c1C ZINC000567063277 326109480 /nfs/dbraw/zinc/10/94/80/326109480.db2.gz UJNSGJYDFVGHGA-SNVBAGLBSA-N 1 2 236.319 0.785 20 0 BCADLO CCC(=O)N1CCC[N@H+](Cc2ncccn2)CC1 ZINC000567098333 326114872 /nfs/dbraw/zinc/11/48/72/326114872.db2.gz XZVPWZVPIAQTRL-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO CCC(=O)N1CCC[N@@H+](Cc2ncccn2)CC1 ZINC000567098333 326114875 /nfs/dbraw/zinc/11/48/75/326114875.db2.gz XZVPWZVPIAQTRL-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC1(C(=O)OC)CC1)C(C)C ZINC000567190521 326132911 /nfs/dbraw/zinc/13/29/11/326132911.db2.gz XDIIUDRZKJVZKS-VIFPVBQESA-N 1 2 243.303 0.727 20 0 BCADLO Cn1cccc1C[N@@H+]1CCn2nncc2C1 ZINC000567249356 326150689 /nfs/dbraw/zinc/15/06/89/326150689.db2.gz ADAIPALKFUPWDJ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1cccc1C[N@H+]1CCn2nncc2C1 ZINC000567249356 326150693 /nfs/dbraw/zinc/15/06/93/326150693.db2.gz ADAIPALKFUPWDJ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CCNC(N)=O ZINC000154605817 326152867 /nfs/dbraw/zinc/15/28/67/326152867.db2.gz CYAJZNKXGSSXIR-UHFFFAOYSA-N 1 2 238.247 0.087 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000567288309 326156421 /nfs/dbraw/zinc/15/64/21/326156421.db2.gz LYOBZEFGPOCWOX-SECBINFHSA-N 1 2 228.336 0.604 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2ncccn2)CCO1 ZINC000309788023 326168666 /nfs/dbraw/zinc/16/86/66/326168666.db2.gz ONLBEJZRBGMSIZ-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2ncccn2)CCO1 ZINC000309788023 326168668 /nfs/dbraw/zinc/16/86/68/326168668.db2.gz ONLBEJZRBGMSIZ-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1COCCO1)C2 ZINC000567380399 326179470 /nfs/dbraw/zinc/17/94/70/326179470.db2.gz ZZJJYXYHUFJJMC-LLVKDONJSA-N 1 2 220.272 0.813 20 0 BCADLO c1cnc2c(c1)C[N@H+](C[C@@H]1COCCO1)C2 ZINC000567380399 326179474 /nfs/dbraw/zinc/17/94/74/326179474.db2.gz ZZJJYXYHUFJJMC-LLVKDONJSA-N 1 2 220.272 0.813 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@H]2O)C1 ZINC000567407013 326185118 /nfs/dbraw/zinc/18/51/18/326185118.db2.gz ZOGDQNFRYDTEQK-NXEZZACHSA-N 1 2 226.320 0.358 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC1CC1 ZINC000156020065 326216994 /nfs/dbraw/zinc/21/69/94/326216994.db2.gz YNRISEJJXFEENF-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC1CC1 ZINC000156020065 326216996 /nfs/dbraw/zinc/21/69/96/326216996.db2.gz YNRISEJJXFEENF-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO O=S(=O)(CCOCC1CC1)Nc1c[nH+]c[nH]1 ZINC000567661901 326239696 /nfs/dbraw/zinc/23/96/96/326239696.db2.gz OPEUWUPTCYZFRG-UHFFFAOYSA-N 1 2 245.304 0.578 20 0 BCADLO CCc1noc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000567791546 326259313 /nfs/dbraw/zinc/25/93/13/326259313.db2.gz VSLOSFQLMMBJOI-ZETCQYMHSA-N 1 2 238.291 0.500 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000567911178 326281778 /nfs/dbraw/zinc/28/17/78/326281778.db2.gz OHJYTFUBNNXDES-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000567911178 326281780 /nfs/dbraw/zinc/28/17/80/326281780.db2.gz OHJYTFUBNNXDES-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CO[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000567946638 326287249 /nfs/dbraw/zinc/28/72/49/326287249.db2.gz INHFVYIVXLGRLY-JTQLQIEISA-N 1 2 223.276 0.424 20 0 BCADLO Cn1nncc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568069640 326302616 /nfs/dbraw/zinc/30/26/16/326302616.db2.gz KKEYKDVHPPMHLO-UHFFFAOYSA-N 1 2 234.263 0.203 20 0 BCADLO Cc1ccc(CCNC(=O)Cn2cc[nH+]c2)nc1 ZINC000568069418 326303668 /nfs/dbraw/zinc/30/36/68/326303668.db2.gz GMIWBYCRWLDRTG-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NC3(CO)CC3)ccn12 ZINC000568105089 326309197 /nfs/dbraw/zinc/30/91/97/326309197.db2.gz OCHZSALTUQRYJU-UHFFFAOYSA-N 1 2 245.282 0.897 20 0 BCADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@@H](C)CO ZINC000568127508 326311431 /nfs/dbraw/zinc/31/14/31/326311431.db2.gz VWZXLSNTIORLGO-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1cc[nH]n1 ZINC000568176762 326320624 /nfs/dbraw/zinc/32/06/24/326320624.db2.gz DQMZJVWEDIXRDT-NSHDSACASA-N 1 2 220.276 0.264 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1cc[nH]n1 ZINC000568176762 326320626 /nfs/dbraw/zinc/32/06/26/326320626.db2.gz DQMZJVWEDIXRDT-NSHDSACASA-N 1 2 220.276 0.264 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnoc1C ZINC000158604432 326331478 /nfs/dbraw/zinc/33/14/78/326331478.db2.gz SEZSLPHZQBUICQ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnoc1C ZINC000158604432 326331479 /nfs/dbraw/zinc/33/14/79/326331479.db2.gz SEZSLPHZQBUICQ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCc1nc(N2CCn3nncc3C2)cc(C)[nH+]1 ZINC000568246455 326333929 /nfs/dbraw/zinc/33/39/29/326333929.db2.gz OIRUGMYWTQPJMU-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO CC(=O)NC1CN(c2nc(C)[nH+]cc2C)C1 ZINC000568250034 326335105 /nfs/dbraw/zinc/33/51/05/326335105.db2.gz DAYMEEQHEQDGOS-UHFFFAOYSA-N 1 2 220.276 0.418 20 0 BCADLO Cc1c[nH]c(C(C)(C)NC(=O)Cn2cc[nH+]c2)n1 ZINC000568638803 326370232 /nfs/dbraw/zinc/37/02/32/326370232.db2.gz GIVUQUVUNPUPJT-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568644574 326370560 /nfs/dbraw/zinc/37/05/60/326370560.db2.gz NGWNOOVVUNWXET-SFYZADRCSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568644574 326370561 /nfs/dbraw/zinc/37/05/61/326370561.db2.gz NGWNOOVVUNWXET-SFYZADRCSA-N 1 2 239.275 0.266 20 0 BCADLO C[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569007948 326386410 /nfs/dbraw/zinc/38/64/10/326386410.db2.gz DYTAFWYAKUVPIH-IUCAKERBSA-N 1 2 211.265 0.331 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1CCC1 ZINC000569020900 326387357 /nfs/dbraw/zinc/38/73/57/326387357.db2.gz JUIJGTJOESLVRT-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1CCC1 ZINC000569020900 326387359 /nfs/dbraw/zinc/38/73/59/326387359.db2.gz JUIJGTJOESLVRT-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2ncccn2)no1 ZINC000569097888 326389739 /nfs/dbraw/zinc/38/97/39/326389739.db2.gz FOZISXRZPIALAG-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2ncccn2)no1 ZINC000569097888 326389741 /nfs/dbraw/zinc/38/97/41/326389741.db2.gz FOZISXRZPIALAG-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)nc1 ZINC000569107041 326390394 /nfs/dbraw/zinc/39/03/94/326390394.db2.gz LSOWVCFEFGYQDV-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000569157110 326393080 /nfs/dbraw/zinc/39/30/80/326393080.db2.gz SVYGGQBQALALSH-SECBINFHSA-N 1 2 223.276 0.210 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000572638026 326401958 /nfs/dbraw/zinc/40/19/58/326401958.db2.gz KLUAHZGZAGPSKN-HTQZYQBOSA-N 1 2 247.245 0.782 20 0 BCADLO CC(C)n1ncnc1C[NH2+]CC(=O)N(C)C ZINC000083977532 487978245 /nfs/dbraw/zinc/97/82/45/487978245.db2.gz HMBIFYSCAMGCCU-UHFFFAOYSA-N 1 2 225.296 0.037 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC(O)C1 ZINC000682531207 487977341 /nfs/dbraw/zinc/97/73/41/487977341.db2.gz VILHKBKHFWIKPF-KPPDAEKUSA-N 1 2 249.314 0.427 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccon1 ZINC000672147850 487979987 /nfs/dbraw/zinc/97/99/87/487979987.db2.gz XLBYSVPVQRDMHF-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO O[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682543949 487981978 /nfs/dbraw/zinc/98/19/78/487981978.db2.gz MAXMJPVASCRDKY-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682543949 487981983 /nfs/dbraw/zinc/98/19/83/487981983.db2.gz MAXMJPVASCRDKY-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@H]1CN(CCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682542401 487982089 /nfs/dbraw/zinc/98/20/89/487982089.db2.gz FSBIBRRQPMDYPR-SECBINFHSA-N 1 2 231.246 0.585 20 0 BCADLO O[C@H]1C[N@H+](C[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682543947 487982238 /nfs/dbraw/zinc/98/22/38/487982238.db2.gz MAXMJPVASCRDKY-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@H]1C[N@@H+](C[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682543947 487982241 /nfs/dbraw/zinc/98/22/41/487982241.db2.gz MAXMJPVASCRDKY-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000677147503 487982992 /nfs/dbraw/zinc/98/29/92/487982992.db2.gz DOABDJIZUMPTJH-JTQLQIEISA-N 1 2 249.380 0.209 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677147503 487982998 /nfs/dbraw/zinc/98/29/98/487982998.db2.gz DOABDJIZUMPTJH-JTQLQIEISA-N 1 2 249.380 0.209 20 0 BCADLO O[C@H]1CN(Cc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000682546710 487984839 /nfs/dbraw/zinc/98/48/39/487984839.db2.gz MVVJDJCEWHZYEJ-SSDOTTSWSA-N 1 2 217.219 0.612 20 0 BCADLO Cc1nc(N[C@@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000396637376 487992073 /nfs/dbraw/zinc/99/20/73/487992073.db2.gz GYDHZQCEWJRUSW-VIFPVBQESA-N 1 2 220.276 0.866 20 0 BCADLO CCN1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000677197247 488000911 /nfs/dbraw/zinc/00/09/11/488000911.db2.gz YERSEMIBXDVRIM-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CCN1CC[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000677197247 488000916 /nfs/dbraw/zinc/00/09/16/488000916.db2.gz YERSEMIBXDVRIM-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CSC1CC[NH+](Cc2nnnn2C)CC1 ZINC000602923075 488001244 /nfs/dbraw/zinc/00/12/44/488001244.db2.gz ZFOFXGHNSOQPRI-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO O=C(NC1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677237789 488003640 /nfs/dbraw/zinc/00/36/40/488003640.db2.gz JLGWWDHDTZYONX-LLVKDONJSA-N 1 2 239.319 0.265 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC(C)(C)O ZINC000134918549 488005697 /nfs/dbraw/zinc/00/56/97/488005697.db2.gz UFRHUVYBYRIPLR-UHFFFAOYSA-N 1 2 226.280 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC(C)(C)O ZINC000134918549 488005707 /nfs/dbraw/zinc/00/57/07/488005707.db2.gz UFRHUVYBYRIPLR-UHFFFAOYSA-N 1 2 226.280 0.275 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000682688560 488017186 /nfs/dbraw/zinc/01/71/86/488017186.db2.gz YODLKUZZUNMTCK-WDEREUQCSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682688442 488017476 /nfs/dbraw/zinc/01/74/76/488017476.db2.gz ZDDYUPWBCGLGEB-GMTAPVOTSA-N 1 2 249.314 0.427 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667495703 488028097 /nfs/dbraw/zinc/02/80/97/488028097.db2.gz VNJFWQOLKUJCII-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667495703 488028099 /nfs/dbraw/zinc/02/80/99/488028099.db2.gz VNJFWQOLKUJCII-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+](C)CC(N)=O ZINC000667495901 488028922 /nfs/dbraw/zinc/02/89/22/488028922.db2.gz AVYZOAQQKSAYBW-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+](C)CC(N)=O ZINC000667495901 488028924 /nfs/dbraw/zinc/02/89/24/488028924.db2.gz AVYZOAQQKSAYBW-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO Cc1cc(NC(=O)Cc2cnnn2C)cc[nH+]1 ZINC000668635131 488034697 /nfs/dbraw/zinc/03/46/97/488034697.db2.gz IMNOTPKEWJUGCF-UHFFFAOYSA-N 1 2 231.259 0.122 20 0 BCADLO O=C(C[C@H]1CC(=O)N1)Nc1ccc2[nH+]ccn2c1 ZINC000668637959 488036144 /nfs/dbraw/zinc/03/61/44/488036144.db2.gz WSPFEKWHIDLJGP-VIFPVBQESA-N 1 2 244.254 0.551 20 0 BCADLO CCCn1nccc1C[N@H+](C)CC(=O)NCC ZINC000667533865 488040260 /nfs/dbraw/zinc/04/02/60/488040260.db2.gz DHZYOHMBURCOBC-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCn1nccc1C[N@@H+](C)CC(=O)NCC ZINC000667533865 488040263 /nfs/dbraw/zinc/04/02/63/488040263.db2.gz DHZYOHMBURCOBC-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC000677497761 488052947 /nfs/dbraw/zinc/05/29/47/488052947.db2.gz JJAHXECFQYVCTP-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1cnc(-n2c[nH+]c(CCCO)c2)nc1 ZINC000677505879 488056624 /nfs/dbraw/zinc/05/66/24/488056624.db2.gz BAHVLNUJPRAQPS-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO COCC1(O)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000677509530 488060025 /nfs/dbraw/zinc/06/00/25/488060025.db2.gz CISYLMKANNGKMN-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO Cc1cc(N(C)[C@H]2CCNC2=O)nc[nH+]1 ZINC000677510897 488060912 /nfs/dbraw/zinc/06/09/12/488060912.db2.gz LSMUSUDQMJGTME-QMMMGPOBSA-N 1 2 206.249 0.110 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@](F)(CO)C1 ZINC000656185824 488063048 /nfs/dbraw/zinc/06/30/48/488063048.db2.gz NQVBZUQUOHKVIV-LLVKDONJSA-N 1 2 241.266 0.704 20 0 BCADLO C[C@H](CO)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080215 488064770 /nfs/dbraw/zinc/06/47/70/488064770.db2.gz YVTOWOLDVLPEKU-MRVPVSSYSA-N 1 2 238.291 0.072 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC1=CCCOC1 ZINC000678285744 488067875 /nfs/dbraw/zinc/06/78/75/488067875.db2.gz AEAPSOJEDBPQFC-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC1=CCCOC1 ZINC000678285744 488067882 /nfs/dbraw/zinc/06/78/82/488067882.db2.gz AEAPSOJEDBPQFC-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO C([NH2+]C1CSC1)c1nc([C@H]2CCCO2)n[nH]1 ZINC000656268802 488073466 /nfs/dbraw/zinc/07/34/66/488073466.db2.gz GUJPKRQKJTYCRB-MRVPVSSYSA-N 1 2 240.332 0.861 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2CSC[NH2+]2)n[nH]1 ZINC000129116809 488075416 /nfs/dbraw/zinc/07/54/16/488075416.db2.gz YSJIQRBGWICDDH-ZETCQYMHSA-N 1 2 226.305 0.573 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1CO ZINC000677588194 488081848 /nfs/dbraw/zinc/08/18/48/488081848.db2.gz HZBORRSIPTWJFH-LLVKDONJSA-N 1 2 237.303 0.647 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000683003701 488084374 /nfs/dbraw/zinc/08/43/74/488084374.db2.gz RXOURMKITYMGFT-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1ccnc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000683003701 488084378 /nfs/dbraw/zinc/08/43/78/488084378.db2.gz RXOURMKITYMGFT-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cc1nnc(C)[nH]1 ZINC000667679649 488084270 /nfs/dbraw/zinc/08/42/70/488084270.db2.gz KYHMJZYZYHYWSJ-UHFFFAOYSA-N 1 2 247.258 0.698 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000661164474 488087260 /nfs/dbraw/zinc/08/72/60/488087260.db2.gz LEFFXOCBMADMJN-ZDUSSCGKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000661164474 488087263 /nfs/dbraw/zinc/08/72/63/488087263.db2.gz LEFFXOCBMADMJN-ZDUSSCGKSA-N 1 2 238.331 0.766 20 0 BCADLO CCc1cc(N[C@@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000677420546 488087676 /nfs/dbraw/zinc/08/76/76/488087676.db2.gz KNRPOPCDBOJNPS-NSHDSACASA-N 1 2 247.302 0.918 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000682531556 488095960 /nfs/dbraw/zinc/09/59/60/488095960.db2.gz OHIYVHMFYVBACH-RNFRBKRXSA-N 1 2 231.250 0.858 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000682531556 488095965 /nfs/dbraw/zinc/09/59/65/488095965.db2.gz OHIYVHMFYVBACH-RNFRBKRXSA-N 1 2 231.250 0.858 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000683029837 488098927 /nfs/dbraw/zinc/09/89/27/488098927.db2.gz OXCJHFPJOQOACP-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000683029837 488098932 /nfs/dbraw/zinc/09/89/32/488098932.db2.gz OXCJHFPJOQOACP-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000683029838 488099297 /nfs/dbraw/zinc/09/92/97/488099297.db2.gz OXCJHFPJOQOACP-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000683029838 488099299 /nfs/dbraw/zinc/09/92/99/488099299.db2.gz OXCJHFPJOQOACP-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC(CO)C1 ZINC000683074551 488105135 /nfs/dbraw/zinc/10/51/35/488105135.db2.gz CRBVHYYKDKOBAZ-UHFFFAOYSA-N 1 2 246.270 0.790 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677730198 488108341 /nfs/dbraw/zinc/10/83/41/488108341.db2.gz DIHKXXKBWVIMGL-LURJTMIESA-N 1 2 204.220 0.591 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000674250927 487537154 /nfs/dbraw/zinc/53/71/54/487537154.db2.gz JISPRMIRCDWENV-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000674250927 487537156 /nfs/dbraw/zinc/53/71/56/487537156.db2.gz JISPRMIRCDWENV-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cnnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677735180 488113669 /nfs/dbraw/zinc/11/36/69/488113669.db2.gz PYRWOTZTARCBHV-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1cnnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000677735180 488113672 /nfs/dbraw/zinc/11/36/72/488113672.db2.gz PYRWOTZTARCBHV-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO C[C@H](CO)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546142 488114056 /nfs/dbraw/zinc/11/40/56/488114056.db2.gz JTEGIWKNBLGPOT-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546142 488114058 /nfs/dbraw/zinc/11/40/58/488114058.db2.gz JTEGIWKNBLGPOT-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO OCC1(C[N@@H+]2CCC[C@H]2C(F)F)COC1 ZINC000677737086 488115190 /nfs/dbraw/zinc/11/51/90/488115190.db2.gz QKIADGQETYXCJS-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO OCC1(C[N@H+]2CCC[C@H]2C(F)F)COC1 ZINC000677737086 488115193 /nfs/dbraw/zinc/11/51/93/488115193.db2.gz QKIADGQETYXCJS-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1 ZINC000677765800 488119973 /nfs/dbraw/zinc/11/99/73/488119973.db2.gz QBADRZWOJZWRHQ-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1 ZINC000677765800 488119978 /nfs/dbraw/zinc/11/99/78/488119978.db2.gz QBADRZWOJZWRHQ-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1nnnn1C1CC1 ZINC000677801813 488124299 /nfs/dbraw/zinc/12/42/99/488124299.db2.gz GJCIIPWFUJQZTP-UHFFFAOYSA-N 1 2 233.279 0.363 20 0 BCADLO CCc1nc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000677801889 488125003 /nfs/dbraw/zinc/12/50/03/488125003.db2.gz LGXQLOFRTXMDLW-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N)nc1 ZINC000168679232 487537445 /nfs/dbraw/zinc/53/74/45/487537445.db2.gz OCVQQRBIRMSIOO-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N)nc1 ZINC000168679232 487537448 /nfs/dbraw/zinc/53/74/48/487537448.db2.gz OCVQQRBIRMSIOO-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO C[N@H+](CCn1ccccc1=O)Cc1cnccn1 ZINC000674252420 487538037 /nfs/dbraw/zinc/53/80/37/487538037.db2.gz XUVXFIGSPZRUAK-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO C[N@@H+](CCn1ccccc1=O)Cc1cnccn1 ZINC000674252420 487538040 /nfs/dbraw/zinc/53/80/40/487538040.db2.gz XUVXFIGSPZRUAK-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N)nc1 ZINC000168679519 487538072 /nfs/dbraw/zinc/53/80/72/487538072.db2.gz OCVQQRBIRMSIOO-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N)nc1 ZINC000168679519 487538077 /nfs/dbraw/zinc/53/80/77/487538077.db2.gz OCVQQRBIRMSIOO-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO CCCn1cc(C[N@H+](C)CC(=O)NC)cn1 ZINC000668790023 487541357 /nfs/dbraw/zinc/54/13/57/487541357.db2.gz FKUPITIZVLUEQW-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC(=O)NC)cn1 ZINC000668790023 487541360 /nfs/dbraw/zinc/54/13/60/487541360.db2.gz FKUPITIZVLUEQW-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO c1nn2c(c1C[N@@H+]1CCc3n[nH]nc3C1)CCC2 ZINC000668789932 487541620 /nfs/dbraw/zinc/54/16/20/487541620.db2.gz HDHYDFKHOKHLTO-UHFFFAOYSA-N 1 2 244.302 0.506 20 0 BCADLO c1nn2c(c1C[N@H+]1CCc3n[nH]nc3C1)CCC2 ZINC000668789932 487541623 /nfs/dbraw/zinc/54/16/23/487541623.db2.gz HDHYDFKHOKHLTO-UHFFFAOYSA-N 1 2 244.302 0.506 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CC(=O)NC)c1C ZINC000668791123 487544320 /nfs/dbraw/zinc/54/43/20/487544320.db2.gz XTVBRZXJZPUQJV-UHFFFAOYSA-N 1 2 238.335 0.698 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CC(=O)NC)c1C ZINC000668791123 487544325 /nfs/dbraw/zinc/54/43/25/487544325.db2.gz XTVBRZXJZPUQJV-UHFFFAOYSA-N 1 2 238.335 0.698 20 0 BCADLO CNC(=O)CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000668791122 487544665 /nfs/dbraw/zinc/54/46/65/487544665.db2.gz XTNDFSBYOSVTHD-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668791746 487546070 /nfs/dbraw/zinc/54/60/70/487546070.db2.gz XURJZOPCZTTWCB-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668791746 487546076 /nfs/dbraw/zinc/54/60/76/487546076.db2.gz XURJZOPCZTTWCB-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000668791645 487546210 /nfs/dbraw/zinc/54/62/10/487546210.db2.gz TXVRFJNIWYJGFM-UHFFFAOYSA-N 1 2 245.286 0.772 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000668791645 487546212 /nfs/dbraw/zinc/54/62/12/487546212.db2.gz TXVRFJNIWYJGFM-UHFFFAOYSA-N 1 2 245.286 0.772 20 0 BCADLO COc1cccc(C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000168847768 487546404 /nfs/dbraw/zinc/54/64/04/487546404.db2.gz JBWFKVKRAHZACQ-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cccc(C[N@H+]2CCOC[C@H]2CO)c1 ZINC000168847768 487546408 /nfs/dbraw/zinc/54/64/08/487546408.db2.gz JBWFKVKRAHZACQ-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COc1ccc[nH+]c1N1CCS(=O)CC1 ZINC000527531946 487549982 /nfs/dbraw/zinc/54/99/82/487549982.db2.gz FGEYNBWLUQPPBV-UHFFFAOYSA-N 1 2 226.301 0.659 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000685574886 487555422 /nfs/dbraw/zinc/55/54/22/487555422.db2.gz NLUCHAPCQUPNTG-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000685574886 487555428 /nfs/dbraw/zinc/55/54/28/487555428.db2.gz NLUCHAPCQUPNTG-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO CCc1cc(N(C)C[C@H](C)C(=O)NC)nc[nH+]1 ZINC000673931332 487483164 /nfs/dbraw/zinc/48/31/64/487483164.db2.gz CWEAIHQIIQXFNB-VIFPVBQESA-N 1 2 236.319 0.857 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H]1CCCN(C)C1=O)CC2 ZINC000679868442 487477055 /nfs/dbraw/zinc/47/70/55/487477055.db2.gz YALNLGFYCHVQRU-LLVKDONJSA-N 1 2 248.330 0.628 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H]1CCCN(C)C1=O)CC2 ZINC000679868443 487477176 /nfs/dbraw/zinc/47/71/76/487477176.db2.gz YALNLGFYCHVQRU-NSHDSACASA-N 1 2 248.330 0.628 20 0 BCADLO CCOC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000673913486 487477886 /nfs/dbraw/zinc/47/78/86/487477886.db2.gz MMOVTVRPQKOXSA-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO Cn1nc(C(=O)NCc2c[nH+]c[nH]2)cc1C1CC1 ZINC000673935154 487485402 /nfs/dbraw/zinc/48/54/02/487485402.db2.gz KWYDKSCQRKHPBN-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1nc(C(=O)NCc2c[nH]c[nH+]2)cc1C1CC1 ZINC000673935154 487485407 /nfs/dbraw/zinc/48/54/07/487485407.db2.gz KWYDKSCQRKHPBN-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000685002102 487489331 /nfs/dbraw/zinc/48/93/31/487489331.db2.gz VCJOFAVWVMRYRS-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000685002102 487489337 /nfs/dbraw/zinc/48/93/37/487489337.db2.gz VCJOFAVWVMRYRS-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394831579 487491847 /nfs/dbraw/zinc/49/18/47/487491847.db2.gz XZLVDNZCEDSLJM-NSHDSACASA-N 1 2 225.336 0.293 20 0 BCADLO CCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394831579 487491852 /nfs/dbraw/zinc/49/18/52/487491852.db2.gz XZLVDNZCEDSLJM-NSHDSACASA-N 1 2 225.336 0.293 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000563391744 487491964 /nfs/dbraw/zinc/49/19/64/487491964.db2.gz ABIDZKVVDMRQFU-CPOMMVLXSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000563391744 487491968 /nfs/dbraw/zinc/49/19/68/487491968.db2.gz ABIDZKVVDMRQFU-CPOMMVLXSA-N 1 2 235.287 0.349 20 0 BCADLO CCc1cc(N[C@H]2C(=O)NCC[C@H]2C)nc[nH+]1 ZINC000685039853 487494704 /nfs/dbraw/zinc/49/47/04/487494704.db2.gz LTEZEZGCYSYLCK-LDYMZIIASA-N 1 2 234.303 0.976 20 0 BCADLO Cn1cc(C[NH2+]Cc2cccc3nccn32)nn1 ZINC000679931742 487494796 /nfs/dbraw/zinc/49/47/96/487494796.db2.gz AVFKWMMWZLBMRS-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)no1 ZINC000399868459 487495329 /nfs/dbraw/zinc/49/53/29/487495329.db2.gz SJJSFTWVVYMTJJ-SNVBAGLBSA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H](O)C2)no1 ZINC000399868459 487495335 /nfs/dbraw/zinc/49/53/35/487495335.db2.gz SJJSFTWVVYMTJJ-SNVBAGLBSA-N 1 2 212.249 0.176 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)n1 ZINC000685043977 487496039 /nfs/dbraw/zinc/49/60/39/487496039.db2.gz GZWJGVQXKWZAKC-XCBNKYQSSA-N 1 2 238.291 0.246 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000679932322 487496044 /nfs/dbraw/zinc/49/60/44/487496044.db2.gz ASVPWWSZGMIRMD-SFYZADRCSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@H](C)C[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000679932322 487496046 /nfs/dbraw/zinc/49/60/46/487496046.db2.gz ASVPWWSZGMIRMD-SFYZADRCSA-N 1 2 239.323 0.817 20 0 BCADLO C[C@H]1C[N@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000674007601 487496289 /nfs/dbraw/zinc/49/62/89/487496289.db2.gz MTSWOPPPJIGDOZ-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1C[N@@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000674007601 487496292 /nfs/dbraw/zinc/49/62/92/487496292.db2.gz MTSWOPPPJIGDOZ-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO CN(CC(C)(C)O)c1cc(CO)cc[nH+]1 ZINC000086274548 487496369 /nfs/dbraw/zinc/49/63/69/487496369.db2.gz SOHQXWCCHWGLHT-UHFFFAOYSA-N 1 2 210.277 0.781 20 0 BCADLO CCOc1cccc(C[NH2+]Cc2cn(C)nn2)n1 ZINC000679932993 487496539 /nfs/dbraw/zinc/49/65/39/487496539.db2.gz UVVNMNONVCSRRX-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@@H](O)C2)co1 ZINC000399892930 487496693 /nfs/dbraw/zinc/49/66/93/487496693.db2.gz KFLCDUGEKLEIPM-JTQLQIEISA-N 1 2 212.249 0.176 20 0 BCADLO C[C@@H]1C[N@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000674007603 487496681 /nfs/dbraw/zinc/49/66/81/487496681.db2.gz MTSWOPPPJIGDOZ-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000674007603 487496688 /nfs/dbraw/zinc/49/66/88/487496688.db2.gz MTSWOPPPJIGDOZ-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@@H](O)C2)co1 ZINC000399892930 487496697 /nfs/dbraw/zinc/49/66/97/487496697.db2.gz KFLCDUGEKLEIPM-JTQLQIEISA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cc(NC(=O)NCc2cn(C)nn2)cc[nH+]1 ZINC000679962855 487506158 /nfs/dbraw/zinc/50/61/58/487506158.db2.gz GNSKSLOFDDQDMN-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO OCCC1C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000668232035 487498975 /nfs/dbraw/zinc/49/89/75/487498975.db2.gz ZCDNRPMFAKGHKA-UHFFFAOYSA-N 1 2 236.319 0.817 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152773 487510559 /nfs/dbraw/zinc/51/05/59/487510559.db2.gz NGJQWZNNUZGYNP-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000680004829 487515958 /nfs/dbraw/zinc/51/59/58/487515958.db2.gz GPHJIWHYVYLDDM-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC[NH2+]1 ZINC000275814449 487517264 /nfs/dbraw/zinc/51/72/64/487517264.db2.gz VMOXKKBJIACMKL-VHSXEESVSA-N 1 2 248.330 0.650 20 0 BCADLO Cc1nc(N2CC[C@@H](S(C)(=O)=O)C2)cc[nH+]1 ZINC000669662711 487518209 /nfs/dbraw/zinc/51/82/09/487518209.db2.gz XXEOUIWQCNXDOP-SECBINFHSA-N 1 2 241.316 0.408 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000685441556 487522958 /nfs/dbraw/zinc/52/29/58/487522958.db2.gz MQCJPYXEWMGHSW-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000685441556 487522962 /nfs/dbraw/zinc/52/29/62/487522962.db2.gz MQCJPYXEWMGHSW-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO COCCCC(=O)NCCn1cc[nH+]c1 ZINC000042386219 487523939 /nfs/dbraw/zinc/52/39/39/487523939.db2.gz ULVNULGXFNNHMI-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cccnc1 ZINC000339356067 488154215 /nfs/dbraw/zinc/15/42/15/488154215.db2.gz IMHXDKLSCRKKIQ-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO C[N@H+](Cc1ccsc1)[C@@H]1CC(=O)NC1=O ZINC000653279132 487598224 /nfs/dbraw/zinc/59/82/24/487598224.db2.gz HDAUHNHRIXIRFW-MRVPVSSYSA-N 1 2 224.285 0.595 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)on1 ZINC000674753167 487610611 /nfs/dbraw/zinc/61/06/11/487610611.db2.gz WUFDVTSAXXHLMB-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)Cc2cn[nH]c2)on1 ZINC000674753167 487610617 /nfs/dbraw/zinc/61/06/17/487610617.db2.gz WUFDVTSAXXHLMB-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000373246515 487863935 /nfs/dbraw/zinc/86/39/35/487863935.db2.gz VQZVZNVBGBODDK-KHVHVRLGSA-N 1 2 238.740 0.492 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000373246515 487863939 /nfs/dbraw/zinc/86/39/39/487863939.db2.gz VQZVZNVBGBODDK-KHVHVRLGSA-N 1 2 238.740 0.492 20 0 BCADLO Cn1ncc2c1nc(N1CCC[C@H]3C[C@H]31)[nH+]c2N ZINC000672322810 487892856 /nfs/dbraw/zinc/89/28/56/487892856.db2.gz NXHOVWBMKGFBDM-IONNQARKSA-N 1 2 244.302 0.934 20 0 BCADLO Nc1ccc(CN=c2ncnc3[nH][nH]cc2-3)c[nH+]1 ZINC000357846667 487966231 /nfs/dbraw/zinc/96/62/31/487966231.db2.gz TVDRXFXKUHGUBF-UHFFFAOYSA-N 1 2 241.258 0.316 20 0 BCADLO OCc1nnc(NCc2c[nH+]c3ccccn23)o1 ZINC000671159176 487981867 /nfs/dbraw/zinc/98/18/67/487981867.db2.gz GWXXUTBOCYBMNP-UHFFFAOYSA-N 1 2 245.242 0.822 20 0 BCADLO CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000682663198 488008351 /nfs/dbraw/zinc/00/83/51/488008351.db2.gz PHONUOIAXRILSR-VIFPVBQESA-N 1 2 249.274 0.172 20 0 BCADLO Cc1nc(N(C)C)nc(NC(C)(C)[C@@H](C)O)[nH+]1 ZINC000677809202 488127414 /nfs/dbraw/zinc/12/74/14/488127414.db2.gz KAJYTHMHPDXIGF-SSDOTTSWSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(NC(C)(C)[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000677809202 488127419 /nfs/dbraw/zinc/12/74/19/488127419.db2.gz KAJYTHMHPDXIGF-SSDOTTSWSA-N 1 2 239.323 0.817 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1c(C)noc1C ZINC000339355844 488154086 /nfs/dbraw/zinc/15/40/86/488154086.db2.gz HAVWPDUVYUCMJV-SNVBAGLBSA-N 1 2 241.291 0.224 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1c(C)noc1C ZINC000339355844 488154090 /nfs/dbraw/zinc/15/40/90/488154090.db2.gz HAVWPDUVYUCMJV-SNVBAGLBSA-N 1 2 241.291 0.224 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cccnc1 ZINC000339356067 488154210 /nfs/dbraw/zinc/15/42/10/488154210.db2.gz IMHXDKLSCRKKIQ-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2cn(CC)nn2)cn1 ZINC000404433138 488159471 /nfs/dbraw/zinc/15/94/71/488159471.db2.gz JLIQOASERVZWPZ-UHFFFAOYSA-N 1 2 232.291 0.885 20 0 BCADLO CCc1cc(NCc2cn(CC)nn2)nc[nH+]1 ZINC000404513308 488166072 /nfs/dbraw/zinc/16/60/72/488166072.db2.gz SRZYRMWYSQRQER-UHFFFAOYSA-N 1 2 232.291 0.684 20 0 BCADLO Cn1ncc2c1nc(N1CC=CCC1)[nH+]c2N ZINC000683459569 488166977 /nfs/dbraw/zinc/16/69/77/488166977.db2.gz LOCXYZCVUHJOKM-UHFFFAOYSA-N 1 2 230.275 0.712 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1nccs1 ZINC000683548603 488192886 /nfs/dbraw/zinc/19/28/86/488192886.db2.gz OZISHBYJILHALN-UHFFFAOYSA-N 1 2 222.273 0.839 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H](CO)O1 ZINC000299964774 488195557 /nfs/dbraw/zinc/19/55/57/488195557.db2.gz NTLFKELRAYIODZ-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H](CO)O1 ZINC000299964774 488195559 /nfs/dbraw/zinc/19/55/59/488195559.db2.gz NTLFKELRAYIODZ-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H](CO)O1 ZINC000299964777 488195629 /nfs/dbraw/zinc/19/56/29/488195629.db2.gz NTLFKELRAYIODZ-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H](CO)O1 ZINC000299964777 488195631 /nfs/dbraw/zinc/19/56/31/488195631.db2.gz NTLFKELRAYIODZ-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668091097 488201355 /nfs/dbraw/zinc/20/13/55/488201355.db2.gz ZYXQNSGBJVZFFN-RKDXNWHRSA-N 1 2 248.286 0.004 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C12CCC2 ZINC000308424603 488203332 /nfs/dbraw/zinc/20/33/32/488203332.db2.gz QZEUNHIOTZGSCB-JGVFFNPUSA-N 1 2 238.291 0.145 20 0 BCADLO Cn1ccc(C[N@H+](CC(N)=O)C2CCCC2)n1 ZINC000678135988 488204061 /nfs/dbraw/zinc/20/40/61/488204061.db2.gz MAURKWNGHSFROB-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccc(C[N@@H+](CC(N)=O)C2CCCC2)n1 ZINC000678135988 488204064 /nfs/dbraw/zinc/20/40/64/488204064.db2.gz MAURKWNGHSFROB-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](O)[C@@H](C)C2)c(C)c[nH+]1 ZINC000678191095 488215104 /nfs/dbraw/zinc/21/51/04/488215104.db2.gz AGOWYIGZLURKSO-CABZTGNLSA-N 1 2 249.314 0.965 20 0 BCADLO Nc1cc(CN2C[C@@H](O)CC(F)(F)C2)cc[nH+]1 ZINC000683787899 488218516 /nfs/dbraw/zinc/21/85/16/488218516.db2.gz ZMGDUEWPTOKZPI-VIFPVBQESA-N 1 2 243.257 0.866 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000668193615 488219975 /nfs/dbraw/zinc/21/99/75/488219975.db2.gz KALBDKRNDKXYKE-ZANVPECISA-N 1 2 249.314 0.851 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1ncc(C)o1 ZINC000231652433 488219961 /nfs/dbraw/zinc/21/99/61/488219961.db2.gz PAZICCVETVYDTI-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)C(=O)NC(C)C)o1 ZINC000231652355 488220012 /nfs/dbraw/zinc/22/00/12/488220012.db2.gz CBWNMZFOMCIIJV-SECBINFHSA-N 1 2 225.292 0.986 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N1CCOCC1 ZINC000085963393 488220950 /nfs/dbraw/zinc/22/09/50/488220950.db2.gz QORBCCAGQIVXNB-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO OCC[N@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000678239512 488224518 /nfs/dbraw/zinc/22/45/18/488224518.db2.gz HDAKXUJEVRKIOY-UHFFFAOYSA-N 1 2 232.287 0.799 20 0 BCADLO OCC[N@@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000678239512 488224520 /nfs/dbraw/zinc/22/45/20/488224520.db2.gz HDAKXUJEVRKIOY-UHFFFAOYSA-N 1 2 232.287 0.799 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)CCC(C)(C)O ZINC000683815164 488224949 /nfs/dbraw/zinc/22/49/49/488224949.db2.gz WZMRJQCDPYFBQN-UHFFFAOYSA-N 1 2 239.319 0.930 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000678266797 488230175 /nfs/dbraw/zinc/23/01/75/488230175.db2.gz KYBKWVSHPUWDHL-IUCAKERBSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000678266797 488230177 /nfs/dbraw/zinc/23/01/77/488230177.db2.gz KYBKWVSHPUWDHL-IUCAKERBSA-N 1 2 245.348 0.663 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678285647 488236823 /nfs/dbraw/zinc/23/68/23/488236823.db2.gz SRWOCJYMWDSHMP-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO COc1cc(C)[nH+]c(CN2C(=O)[C@@H]3C[C@@H]3C2=O)c1 ZINC000678298513 488238665 /nfs/dbraw/zinc/23/86/65/488238665.db2.gz UFJZEWQHVRZJDW-PHIMTYICSA-N 1 2 246.266 0.904 20 0 BCADLO O=C(COC(F)F)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147011 488240748 /nfs/dbraw/zinc/24/07/48/488240748.db2.gz WVMSDXZDFRMWKT-ZETCQYMHSA-N 1 2 245.229 0.553 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000672146231 488240796 /nfs/dbraw/zinc/24/07/96/488240796.db2.gz GCFWNQSETRCVLD-MWLCHTKSSA-N 1 2 235.287 0.493 20 0 BCADLO CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)COC1 ZINC000672151476 488241726 /nfs/dbraw/zinc/24/17/26/488241726.db2.gz TUWMAZGMUNCTDG-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO Cc1ncoc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148982 488241829 /nfs/dbraw/zinc/24/18/29/488241829.db2.gz BRUUWOGZLJADRT-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153986 488242858 /nfs/dbraw/zinc/24/28/58/488242858.db2.gz CQPWRENZRPEDNU-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157954 488243145 /nfs/dbraw/zinc/24/31/45/488243145.db2.gz LGWSPCQFROXKKD-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO CC1(C)C[N@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000684107803 488267244 /nfs/dbraw/zinc/26/72/44/488267244.db2.gz SOMBVCSLRKBEAP-QMMMGPOBSA-N 1 2 239.275 0.316 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000684107803 488267246 /nfs/dbraw/zinc/26/72/46/488267246.db2.gz SOMBVCSLRKBEAP-QMMMGPOBSA-N 1 2 239.275 0.316 20 0 BCADLO Cc1nnc(CNC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000684159820 488270744 /nfs/dbraw/zinc/27/07/44/488270744.db2.gz JZZITSZZFHQWMQ-UHFFFAOYSA-N 1 2 247.258 0.825 20 0 BCADLO C[C@H]1OCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000673009314 488271306 /nfs/dbraw/zinc/27/13/06/488271306.db2.gz WMZQAVOAOQUMKA-VHSXEESVSA-N 1 2 237.303 0.598 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC3(CCOC3)CC2)[nH]1 ZINC000678721889 488278518 /nfs/dbraw/zinc/27/85/18/488278518.db2.gz NNEXCLOYSYDBGE-UHFFFAOYSA-N 1 2 238.291 0.513 20 0 BCADLO CCNC(=O)CN(C)Cc1cccc2[nH+]ccn21 ZINC000678817749 488287171 /nfs/dbraw/zinc/28/71/71/488287171.db2.gz KTALSFPINGOVFU-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCn2cnnc2C1 ZINC000678827455 488288153 /nfs/dbraw/zinc/28/81/53/488288153.db2.gz OAIMLEFXJMRTTI-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCn2cnnc2C1 ZINC000678827455 488288156 /nfs/dbraw/zinc/28/81/56/488288156.db2.gz OAIMLEFXJMRTTI-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO COCc1noc(C[N@H+]2CC=CCC2)n1 ZINC000679321720 488335758 /nfs/dbraw/zinc/33/57/58/488335758.db2.gz LOFZFLSBBMNNAG-UHFFFAOYSA-N 1 2 209.249 0.978 20 0 BCADLO COCc1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679321720 488335759 /nfs/dbraw/zinc/33/57/59/488335759.db2.gz LOFZFLSBBMNNAG-UHFFFAOYSA-N 1 2 209.249 0.978 20 0 BCADLO CCc1cc(N[C@H](CCOC)C(N)=O)nc[nH+]1 ZINC000678831738 488289003 /nfs/dbraw/zinc/28/90/03/488289003.db2.gz VQGDTAZOZUZLCR-SECBINFHSA-N 1 2 238.291 0.341 20 0 BCADLO CN(C(=O)c1ccc2[nH+]ccn2c1)C1(CO)CC1 ZINC000673495201 488291100 /nfs/dbraw/zinc/29/11/00/488291100.db2.gz YZBKRGNZESYDRZ-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO Cc1nc(CN2CC[NH+](CCCF)CC2)n[nH]1 ZINC000678890011 488294127 /nfs/dbraw/zinc/29/41/27/488294127.db2.gz DJIFMFSTAZCECD-UHFFFAOYSA-N 1 2 241.314 0.590 20 0 BCADLO CN(C)c1ncccc1C[NH2+]Cc1ncnn1C ZINC000673603276 488297059 /nfs/dbraw/zinc/29/70/59/488297059.db2.gz WJVYZKRYCDRFLI-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CS(=O)(=O)C1CC[NH+](CC2(F)CC2)CC1 ZINC000684361518 488300754 /nfs/dbraw/zinc/30/07/54/488300754.db2.gz SOHIWIMKHPUGFA-UHFFFAOYSA-N 1 2 235.324 0.998 20 0 BCADLO c1c[nH+]c(COCc2nnnn2C2CC2)[nH]1 ZINC000679009294 488302664 /nfs/dbraw/zinc/30/26/64/488302664.db2.gz YTIDFXRYBCVDOA-UHFFFAOYSA-N 1 2 220.236 0.448 20 0 BCADLO CNC(=O)[C@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000684655286 488336676 /nfs/dbraw/zinc/33/66/76/488336676.db2.gz FCMOAQJTOAJLMO-GFCCVEGCSA-N 1 2 234.303 0.747 20 0 BCADLO CCc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC000673677303 488303038 /nfs/dbraw/zinc/30/30/38/488303038.db2.gz BNJBZSDZIVBVRM-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO C[C@H](Nc1cnn(CCO)c1)c1[nH+]ccn1C ZINC000679084496 488307298 /nfs/dbraw/zinc/30/72/98/488307298.db2.gz WHEFAFVGJWMXJT-VIFPVBQESA-N 1 2 235.291 0.782 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000679122313 488309165 /nfs/dbraw/zinc/30/91/65/488309165.db2.gz SIJQQSZSVRRUGX-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO COCc1noc(C[N@H+](C)C2(COC)CC2)n1 ZINC000679152585 488313674 /nfs/dbraw/zinc/31/36/74/488313674.db2.gz ZANGLFVJDMRZFT-UHFFFAOYSA-N 1 2 241.291 0.827 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H]1F ZINC000679184597 488315168 /nfs/dbraw/zinc/31/51/68/488315168.db2.gz ZYNYRFCXGMRXKO-HLTSFMKQSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H]1F ZINC000679184597 488315169 /nfs/dbraw/zinc/31/51/69/488315169.db2.gz ZYNYRFCXGMRXKO-HLTSFMKQSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1F ZINC000679217385 488317420 /nfs/dbraw/zinc/31/74/20/488317420.db2.gz CBJZLUOIJIACLA-IUCAKERBSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1F ZINC000679217385 488317421 /nfs/dbraw/zinc/31/74/21/488317421.db2.gz CBJZLUOIJIACLA-IUCAKERBSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1F ZINC000679219487 488318538 /nfs/dbraw/zinc/31/85/38/488318538.db2.gz CXBJZRZSYKSVEB-SCZZXKLOSA-N 1 2 214.284 0.945 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1F ZINC000679219487 488318540 /nfs/dbraw/zinc/31/85/40/488318540.db2.gz CXBJZRZSYKSVEB-SCZZXKLOSA-N 1 2 214.284 0.945 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1F ZINC000679224763 488321188 /nfs/dbraw/zinc/32/11/88/488321188.db2.gz PILODKOSEXJOKM-WDEREUQCSA-N 1 2 244.310 0.525 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1F ZINC000679224763 488321192 /nfs/dbraw/zinc/32/11/92/488321192.db2.gz PILODKOSEXJOKM-WDEREUQCSA-N 1 2 244.310 0.525 20 0 BCADLO Cc1nc(N2CC(C)(F)C2)nc(N(C)C)[nH+]1 ZINC000684593080 488328314 /nfs/dbraw/zinc/32/83/14/488328314.db2.gz UWZGFEHSMMGXSK-UHFFFAOYSA-N 1 2 225.271 0.794 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(C)(F)C2)[nH+]1 ZINC000684593080 488328317 /nfs/dbraw/zinc/32/83/17/488328317.db2.gz UWZGFEHSMMGXSK-UHFFFAOYSA-N 1 2 225.271 0.794 20 0 BCADLO Cc1nc([C@@H]2COCCN2Cc2c[nH+]c[nH]2)no1 ZINC000684619884 488334287 /nfs/dbraw/zinc/33/42/87/488334287.db2.gz UFNFOASCVGBPFE-JTQLQIEISA-N 1 2 249.274 0.675 20 0 BCADLO Cc1nc([C@@H]2COCCN2Cc2c[nH]c[nH+]2)no1 ZINC000684619884 488334288 /nfs/dbraw/zinc/33/42/88/488334288.db2.gz UFNFOASCVGBPFE-JTQLQIEISA-N 1 2 249.274 0.675 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@H+](CC(F)F)C1 ZINC000684668179 488337463 /nfs/dbraw/zinc/33/74/63/488337463.db2.gz FRLHJGHRPWVPKR-SECBINFHSA-N 1 2 206.236 0.710 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(F)F)C1 ZINC000684668179 488337464 /nfs/dbraw/zinc/33/74/64/488337464.db2.gz FRLHJGHRPWVPKR-SECBINFHSA-N 1 2 206.236 0.710 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@H+](CC(F)F)C1 ZINC000684668180 488337493 /nfs/dbraw/zinc/33/74/93/488337493.db2.gz FRLHJGHRPWVPKR-VIFPVBQESA-N 1 2 206.236 0.710 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@@H+](CC(F)F)C1 ZINC000684668180 488337494 /nfs/dbraw/zinc/33/74/94/488337494.db2.gz FRLHJGHRPWVPKR-VIFPVBQESA-N 1 2 206.236 0.710 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000679345254 488342483 /nfs/dbraw/zinc/34/24/83/488342483.db2.gz QERVEAWLYOWINS-LDYMZIIASA-N 1 2 236.319 0.990 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCc1nnnn1C ZINC000679350347 488342901 /nfs/dbraw/zinc/34/29/01/488342901.db2.gz DQNSCXSRUSBHIT-ZETCQYMHSA-N 1 2 235.295 0.135 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1nnnn1C ZINC000679350346 488343056 /nfs/dbraw/zinc/34/30/56/488343056.db2.gz DQNSCXSRUSBHIT-SSDOTTSWSA-N 1 2 235.295 0.135 20 0 BCADLO CC(C)COC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000684836761 488347793 /nfs/dbraw/zinc/34/77/93/488347793.db2.gz VBDHFWAUNUPCOE-NSHDSACASA-N 1 2 241.335 0.875 20 0 BCADLO CC(C)COC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000684836761 488347796 /nfs/dbraw/zinc/34/77/96/488347796.db2.gz VBDHFWAUNUPCOE-NSHDSACASA-N 1 2 241.335 0.875 20 0 BCADLO CC(C)c1nc(N(C)C[C@H](O)CO)cc[nH+]1 ZINC000679425311 488351967 /nfs/dbraw/zinc/35/19/67/488351967.db2.gz UKFLYZNMKYFGJK-VIFPVBQESA-N 1 2 225.292 0.389 20 0 BCADLO C[C@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000679539688 488357395 /nfs/dbraw/zinc/35/73/95/488357395.db2.gz FNPMHWZKYNHMOF-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000679539688 488357397 /nfs/dbraw/zinc/35/73/97/488357397.db2.gz FNPMHWZKYNHMOF-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000679539686 488357469 /nfs/dbraw/zinc/35/74/69/488357469.db2.gz FNPMHWZKYNHMOF-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000679539686 488357471 /nfs/dbraw/zinc/35/74/71/488357471.db2.gz FNPMHWZKYNHMOF-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cn[nH]c1 ZINC000679582105 488359569 /nfs/dbraw/zinc/35/95/69/488359569.db2.gz AOUWITAWGHEYAC-UHFFFAOYSA-N 1 2 224.308 0.887 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cn[nH]c1 ZINC000679582105 488359571 /nfs/dbraw/zinc/35/95/71/488359571.db2.gz AOUWITAWGHEYAC-UHFFFAOYSA-N 1 2 224.308 0.887 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000679834384 488367386 /nfs/dbraw/zinc/36/73/86/488367386.db2.gz BMTUNKGUEIXTJR-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000679834384 488367387 /nfs/dbraw/zinc/36/73/87/488367387.db2.gz BMTUNKGUEIXTJR-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO Cc1nc(NCc2nn[nH]n2)c2c([nH+]1)CCCC2 ZINC000679838310 488367568 /nfs/dbraw/zinc/36/75/68/488367568.db2.gz CXVKNYKVDKVJPU-UHFFFAOYSA-N 1 2 245.290 0.789 20 0 BCADLO CN(CCCS(C)(=O)=O)Cc1[nH]cc[nH+]1 ZINC000119809789 490052489 /nfs/dbraw/zinc/05/24/89/490052489.db2.gz DARCNMFRYJFYQC-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO Cc1nc(NC[C@@H](O)[C@@H]2CCOC2)cc[nH+]1 ZINC000336729145 490101660 /nfs/dbraw/zinc/10/16/60/490101660.db2.gz HLXOQJHYWSBVRV-NXEZZACHSA-N 1 2 223.276 0.594 20 0 BCADLO Cc1nc(NC[C@](C)(O)C2CC2)cc[nH+]1 ZINC000389626918 490102642 /nfs/dbraw/zinc/10/26/42/490102642.db2.gz KVUODDFJMAWAIN-NSHDSACASA-N 1 2 207.277 1.358 20 0 BCADLO Cc1nc(NC[C@@H](O)COCC2CC2)cc[nH+]1 ZINC000360224151 490101945 /nfs/dbraw/zinc/10/19/45/490101945.db2.gz GFOPDZOZHSNWHI-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659851421 490093471 /nfs/dbraw/zinc/09/34/71/490093471.db2.gz GNLRJPJFRWMBBQ-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659851421 490093475 /nfs/dbraw/zinc/09/34/75/490093475.db2.gz GNLRJPJFRWMBBQ-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1nc(N)c(CNC(=O)CC(C)(F)F)c[nH+]1 ZINC000580555583 490203041 /nfs/dbraw/zinc/20/30/41/490203041.db2.gz QWKFFLBCPSJPCN-UHFFFAOYSA-N 1 2 244.245 1.029 20 0 BCADLO Cc1nc(NC[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC000070628530 490230831 /nfs/dbraw/zinc/23/08/31/490230831.db2.gz ILLZPZWVEJYGSB-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000070820064 490238479 /nfs/dbraw/zinc/23/84/79/490238479.db2.gz ULMUYRNIBKKCTR-UHFFFAOYSA-N 1 2 238.272 0.283 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CO1 ZINC000655812492 490259157 /nfs/dbraw/zinc/25/91/57/490259157.db2.gz PVPACFWONGKABV-RKDXNWHRSA-N 1 2 239.323 0.695 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc1 ZINC000068806850 490262830 /nfs/dbraw/zinc/26/28/30/490262830.db2.gz ZCCDVUQPGRJQDT-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@H+]2C)nc1 ZINC000068806850 490262835 /nfs/dbraw/zinc/26/28/35/490262835.db2.gz ZCCDVUQPGRJQDT-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619358479 490265757 /nfs/dbraw/zinc/26/57/57/490265757.db2.gz IJAMAQFONHPKCW-SDDRHHMPSA-N 1 2 238.331 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619358479 490265758 /nfs/dbraw/zinc/26/57/58/490265758.db2.gz IJAMAQFONHPKCW-SDDRHHMPSA-N 1 2 238.331 0.576 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000082266825 490340242 /nfs/dbraw/zinc/34/02/42/490340242.db2.gz ZOKPALIWQNOERY-UHFFFAOYSA-N 1 2 219.248 0.426 20 0 BCADLO C[C@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000526047578 490360612 /nfs/dbraw/zinc/36/06/12/490360612.db2.gz HNCWWGYSESNOGF-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO C[C@H](NCc1ncc[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000124861200 490405778 /nfs/dbraw/zinc/40/57/78/490405778.db2.gz WFCPUAWFXHVWKP-VHSXEESVSA-N 1 2 224.308 0.218 20 0 BCADLO C[C@H](NCc1ncc[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000124861200 490405783 /nfs/dbraw/zinc/40/57/83/490405783.db2.gz WFCPUAWFXHVWKP-VHSXEESVSA-N 1 2 224.308 0.218 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCCn1cc[nH+]c1 ZINC000125314122 490427786 /nfs/dbraw/zinc/42/77/86/490427786.db2.gz YVSHCESDZDEXAO-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000079767653 490460652 /nfs/dbraw/zinc/46/06/52/490460652.db2.gz NSOAFXSMHPSEQT-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000079767653 490460661 /nfs/dbraw/zinc/46/06/61/490460661.db2.gz NSOAFXSMHPSEQT-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)N2C)cc[nH+]1 ZINC000074689444 490496576 /nfs/dbraw/zinc/49/65/76/490496576.db2.gz OCQZOXRONUXLDZ-SNVBAGLBSA-N 1 2 233.271 0.949 20 0 BCADLO CCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000074828060 490505341 /nfs/dbraw/zinc/50/53/41/490505341.db2.gz OLUWMHPGDQYGGH-UHFFFAOYSA-N 1 2 203.267 0.239 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000128241373 490575192 /nfs/dbraw/zinc/57/51/92/490575192.db2.gz WVDJWDJFVSBBTM-UHFFFAOYSA-N 1 2 226.276 0.340 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000128241373 490575193 /nfs/dbraw/zinc/57/51/93/490575193.db2.gz WVDJWDJFVSBBTM-UHFFFAOYSA-N 1 2 226.276 0.340 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccnnc1 ZINC000131597464 490647833 /nfs/dbraw/zinc/64/78/33/490647833.db2.gz RKOICSTYBIDILL-UHFFFAOYSA-N 1 2 216.200 0.830 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@H](C)O1 ZINC000062339204 491083572 /nfs/dbraw/zinc/08/35/72/491083572.db2.gz YIZSLTNSQFBUHH-YUMQZZPRSA-N 1 2 237.307 0.250 20 0 BCADLO Cc1nccc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000525193371 491108594 /nfs/dbraw/zinc/10/85/94/491108594.db2.gz QHGFLLLVOQQMBZ-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000525193371 491108595 /nfs/dbraw/zinc/10/85/95/491108595.db2.gz QHGFLLLVOQQMBZ-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(NCCCOc2ncccn2)cc[nH+]1 ZINC000641654139 491108623 /nfs/dbraw/zinc/10/86/23/491108623.db2.gz ZQPKHVWINWZJLF-UHFFFAOYSA-N 1 2 245.286 1.456 20 0 BCADLO CS(=O)(=O)C1C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639245363 491122473 /nfs/dbraw/zinc/12/24/73/491122473.db2.gz XOGGPMJNCTXLIQ-ILWJIGKKSA-N 1 2 229.345 0.761 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1cccn1 ZINC000069867435 491125819 /nfs/dbraw/zinc/12/58/19/491125819.db2.gz UHHMWYMUZGQSTB-JTQLQIEISA-N 1 2 245.348 0.248 20 0 BCADLO COCC[N@H+](C)Cc1nnc2ccccn21 ZINC000081009961 491133766 /nfs/dbraw/zinc/13/37/66/491133766.db2.gz OAHBGHLXDLUTKT-UHFFFAOYSA-N 1 2 220.276 0.808 20 0 BCADLO COCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000081009961 491133767 /nfs/dbraw/zinc/13/37/67/491133767.db2.gz OAHBGHLXDLUTKT-UHFFFAOYSA-N 1 2 220.276 0.808 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccc[nH]c1=O ZINC000081306537 491134956 /nfs/dbraw/zinc/13/49/56/491134956.db2.gz OATINRDRXLSBDA-UHFFFAOYSA-N 1 2 218.216 0.210 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)NCCF ZINC000309556600 491151395 /nfs/dbraw/zinc/15/13/95/491151395.db2.gz JWZIILADHSQLAY-YUMQZZPRSA-N 1 2 228.271 0.535 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000224927877 491161335 /nfs/dbraw/zinc/16/13/35/491161335.db2.gz JRIRCWXLMHININ-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000224927877 491161336 /nfs/dbraw/zinc/16/13/36/491161336.db2.gz JRIRCWXLMHININ-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H](O)C2CC2)c[nH+]1 ZINC000890724548 582517342 /nfs/dbraw/zinc/51/73/42/582517342.db2.gz BQMVMPCGMOBLHQ-SNVBAGLBSA-N 1 2 223.276 0.609 20 0 BCADLO O=C(NC/C=C/Cl)C1([NH+]2CCOCC2)CC1 ZINC000891199632 582625545 /nfs/dbraw/zinc/62/55/45/582625545.db2.gz CKSORWGIOSOJQW-DAFODLJHSA-N 1 2 244.722 0.720 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC/C=C/Cl ZINC000891204363 582630218 /nfs/dbraw/zinc/63/02/18/582630218.db2.gz DYIFRNGQMUFFPQ-CDAZIORVSA-N 1 2 232.711 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC/C=C/Cl ZINC000891204363 582630219 /nfs/dbraw/zinc/63/02/19/582630219.db2.gz DYIFRNGQMUFFPQ-CDAZIORVSA-N 1 2 232.711 0.576 20 0 BCADLO CCN1CCN(C(=O)NC)C[C@H]1c1[nH]cc[nH+]1 ZINC000335736647 535622962 /nfs/dbraw/zinc/62/29/62/535622962.db2.gz OLTBOXFMUDEPEX-VIFPVBQESA-N 1 2 237.307 0.428 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492767646 534044855 /nfs/dbraw/zinc/04/48/55/534044855.db2.gz NSRBFPMHQOYMGB-LGYSABEFSA-N 1 2 223.276 0.699 20 0 BCADLO CCN(CCO)c1nccn2c[nH+]cc12 ZINC000891427481 582682425 /nfs/dbraw/zinc/68/24/25/582682425.db2.gz SVVNFZHMGDOACZ-UHFFFAOYSA-N 1 2 206.249 0.548 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000348098405 535710774 /nfs/dbraw/zinc/71/07/74/535710774.db2.gz ZHGASTZBEPNGKA-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000336113471 535719382 /nfs/dbraw/zinc/71/93/82/535719382.db2.gz UCXMWBWWOVMUAB-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000336113471 535719390 /nfs/dbraw/zinc/71/93/90/535719390.db2.gz UCXMWBWWOVMUAB-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCOc1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000891581002 582699521 /nfs/dbraw/zinc/69/95/21/582699521.db2.gz FEUDIXUANVELEY-UHFFFAOYSA-N 1 2 212.249 0.595 20 0 BCADLO CCOc1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000891581002 582699522 /nfs/dbraw/zinc/69/95/22/582699522.db2.gz FEUDIXUANVELEY-UHFFFAOYSA-N 1 2 212.249 0.595 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc2c1OCC2 ZINC000891580937 582699637 /nfs/dbraw/zinc/69/96/37/582699637.db2.gz DBEJHEDAKMIXCV-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO C[C@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867524 534184397 /nfs/dbraw/zinc/18/43/97/534184397.db2.gz RQWAFLIBIKYXOE-MVZIDQBPSA-N 1 2 235.287 0.796 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493450527 534213150 /nfs/dbraw/zinc/21/31/50/534213150.db2.gz JPIWOPDUIWEUMT-RTMURIBGSA-N 1 2 237.259 0.348 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493666047 534228103 /nfs/dbraw/zinc/22/81/03/534228103.db2.gz VDCCKYOZEHDCRT-KGGZQZJCSA-N 1 2 223.232 0.101 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493642974 534268543 /nfs/dbraw/zinc/26/85/43/534268543.db2.gz DKCJVIOLNRZIFW-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@@H](F)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000510597925 534277055 /nfs/dbraw/zinc/27/70/55/534277055.db2.gz FONUXJZYJRZHHI-PRJMDXOYSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@@H](F)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000510597925 534277057 /nfs/dbraw/zinc/27/70/57/534277057.db2.gz FONUXJZYJRZHHI-PRJMDXOYSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493834651 534272910 /nfs/dbraw/zinc/27/29/10/534272910.db2.gz GXFFKCUDWKHZIT-KXMPLOMGSA-N 1 2 221.260 0.718 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)C(C)C ZINC000496201644 534279057 /nfs/dbraw/zinc/27/90/57/534279057.db2.gz XCVRJCKQQFRPOG-BDAKNGLRSA-N 1 2 244.291 0.224 20 0 BCADLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1 ZINC000118185479 582757248 /nfs/dbraw/zinc/75/72/48/582757248.db2.gz XZYXIWRAMFFBFZ-VIFPVBQESA-N 1 2 230.308 0.530 20 0 BCADLO C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1 ZINC000118185479 582757254 /nfs/dbraw/zinc/75/72/54/582757254.db2.gz XZYXIWRAMFFBFZ-VIFPVBQESA-N 1 2 230.308 0.530 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NOCC1CC1 ZINC000868553474 582760992 /nfs/dbraw/zinc/76/09/92/582760992.db2.gz HWHRAHAIKIMWTC-UPHRSURJSA-N 1 2 240.303 0.333 20 0 BCADLO Cc1nnc(CCNC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000492809849 534329696 /nfs/dbraw/zinc/32/96/96/534329696.db2.gz GWGKUGLYAUKFCQ-NSCUHMNNSA-N 1 2 246.274 0.208 20 0 BCADLO NC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493067452 534428265 /nfs/dbraw/zinc/42/82/65/534428265.db2.gz ASVQYWWMCFGLLB-KHTCFXRASA-N 1 2 248.286 0.193 20 0 BCADLO Cc1noc([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492866127 534439974 /nfs/dbraw/zinc/43/99/74/534439974.db2.gz PTINVLOXCWWGLF-KFOINNEUSA-N 1 2 247.258 0.992 20 0 BCADLO Cc1nc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000492920845 534453639 /nfs/dbraw/zinc/45/36/39/534453639.db2.gz KFRHOVHPATYUEA-ONEGZZNKSA-N 1 2 232.247 0.499 20 0 BCADLO Cc1noc([C@H](C)NC(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000493319661 534470048 /nfs/dbraw/zinc/47/00/48/534470048.db2.gz LHMBZMCROFIHRA-SDLBARTOSA-N 1 2 247.258 0.992 20 0 BCADLO CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301226523 534583175 /nfs/dbraw/zinc/58/31/75/534583175.db2.gz GGVDGQKTCQTEQW-LLVKDONJSA-N 1 2 234.303 0.890 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)OCCCF ZINC000496475944 534601342 /nfs/dbraw/zinc/60/13/42/534601342.db2.gz UDWSQNNRDJZYNK-SNVBAGLBSA-N 1 2 245.298 0.072 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CC23CC(O)C3)c[nH+]1 ZINC000888965178 582865024 /nfs/dbraw/zinc/86/50/24/582865024.db2.gz PLOMJLRLYSJRBR-PUDKOPFASA-N 1 2 221.260 0.361 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000343805690 534734524 /nfs/dbraw/zinc/73/45/24/534734524.db2.gz IVFVFXWZMAHJQW-SSDOTTSWSA-N 1 2 223.276 0.744 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000343805690 534734528 /nfs/dbraw/zinc/73/45/28/534734528.db2.gz IVFVFXWZMAHJQW-SSDOTTSWSA-N 1 2 223.276 0.744 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000492773078 534801601 /nfs/dbraw/zinc/80/16/01/534801601.db2.gz UTWISHANFWRJKR-RJRFIUFISA-N 1 2 246.270 0.214 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@@H]1CCCCO1 ZINC000493194016 534802769 /nfs/dbraw/zinc/80/27/69/534802769.db2.gz SCFNTWHOJPNKRK-DOGVGXBMSA-N 1 2 237.259 0.997 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C=C[C@H](CO)C1 ZINC000493778734 534803286 /nfs/dbraw/zinc/80/32/86/534803286.db2.gz CBMPUWDISVOLIX-RWCMCFKCSA-N 1 2 233.271 0.476 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCCNC1=O ZINC000493676507 534803531 /nfs/dbraw/zinc/80/35/31/534803531.db2.gz SWDITYZOTLVMHS-UMCURTJPSA-N 1 2 248.286 0.208 20 0 BCADLO CC[NH2+][C@@](C)(Cn1cccn1)C(=O)OC ZINC000045435088 582879443 /nfs/dbraw/zinc/87/94/43/582879443.db2.gz QAGGEUDVNNSTPD-JTQLQIEISA-N 1 2 211.265 0.424 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000492905277 534804539 /nfs/dbraw/zinc/80/45/39/534804539.db2.gz ZMARFSDTPQRVHM-GLHWXHGPSA-N 1 2 219.244 0.184 20 0 BCADLO O=C1OCC[C@H]2C[N@H+](CCF)CCN12 ZINC000494136653 534814549 /nfs/dbraw/zinc/81/45/49/534814549.db2.gz ZIDURRNDFDSNBA-QMMMGPOBSA-N 1 2 202.229 0.482 20 0 BCADLO O=C1OCC[C@H]2C[N@@H+](CCF)CCN12 ZINC000494136653 534814553 /nfs/dbraw/zinc/81/45/53/534814553.db2.gz ZIDURRNDFDSNBA-QMMMGPOBSA-N 1 2 202.229 0.482 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000493670306 534815468 /nfs/dbraw/zinc/81/54/68/534815468.db2.gz OWZQLMIHEJULJS-JQSQLHRZSA-N 1 2 216.668 0.875 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000493670306 534815470 /nfs/dbraw/zinc/81/54/70/534815470.db2.gz OWZQLMIHEJULJS-JQSQLHRZSA-N 1 2 216.668 0.875 20 0 BCADLO O=C1OCC[C@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000494031843 534815625 /nfs/dbraw/zinc/81/56/25/534815625.db2.gz GHEMVJAKWOQDKE-VIFPVBQESA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000494031843 534815628 /nfs/dbraw/zinc/81/56/28/534815628.db2.gz GHEMVJAKWOQDKE-VIFPVBQESA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OC[C@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000493670307 534816729 /nfs/dbraw/zinc/81/67/29/534816729.db2.gz OWZQLMIHEJULJS-SLYZXXNYSA-N 1 2 216.668 0.875 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000493670307 534816732 /nfs/dbraw/zinc/81/67/32/534816732.db2.gz OWZQLMIHEJULJS-SLYZXXNYSA-N 1 2 216.668 0.875 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)s1 ZINC000308983773 534871882 /nfs/dbraw/zinc/87/18/82/534871882.db2.gz JBIFLHUWZMMIQV-LPBLVHEISA-N 1 2 229.305 0.257 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000505309152 526631292 /nfs/dbraw/zinc/63/12/92/526631292.db2.gz ZACKQSHYRFHAOL-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CC(C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493104959 527206289 /nfs/dbraw/zinc/20/62/89/527206289.db2.gz KVPDRYZEAIPMGA-ONEGZZNKSA-N 1 2 209.249 0.310 20 0 BCADLO C/C=C/C=C\C(=O)NCC[NH+]1CCOCC1 ZINC000491061367 527602997 /nfs/dbraw/zinc/60/29/97/527602997.db2.gz OQBMNROMEKVALT-IAROGAJJSA-N 1 2 224.304 0.567 20 0 BCADLO CC(C)[C@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493236388 527734256 /nfs/dbraw/zinc/73/42/56/527734256.db2.gz HCROKMSLBFWREX-CDAZIORVSA-N 1 2 223.276 0.556 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493817089 527831864 /nfs/dbraw/zinc/83/18/64/527831864.db2.gz HOEQNYZWAJKHDP-FSIBCCDJSA-N 1 2 235.287 0.795 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@@H]1CN(C)C(=O)O1 ZINC000495796221 527905047 /nfs/dbraw/zinc/90/50/47/527905047.db2.gz UHPXKCKYIBBBNW-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@@H]1CN(C)C(=O)O1 ZINC000495796221 527905051 /nfs/dbraw/zinc/90/50/51/527905051.db2.gz UHPXKCKYIBBBNW-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC(C)C ZINC000493883571 527955361 /nfs/dbraw/zinc/95/53/61/527955361.db2.gz PUHWQRIQLCLFIG-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC(C)C ZINC000493883571 527955362 /nfs/dbraw/zinc/95/53/62/527955362.db2.gz PUHWQRIQLCLFIG-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CCNC(=O)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492769985 528045077 /nfs/dbraw/zinc/04/50/77/528045077.db2.gz QHZBOWSAUGAYEF-ONEGZZNKSA-N 1 2 248.286 0.017 20 0 BCADLO CCC[C@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495792473 528399277 /nfs/dbraw/zinc/39/92/77/528399277.db2.gz FVEXMXZVXRQEQW-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO CCC[C@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495792473 528399273 /nfs/dbraw/zinc/39/92/73/528399273.db2.gz FVEXMXZVXRQEQW-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO CCO/C=C/C(=O)N(C)Cc1[nH+]ccn1C ZINC000493417216 528452880 /nfs/dbraw/zinc/45/28/80/528452880.db2.gz FWCNPOKLZSYKCR-VMPITWQZSA-N 1 2 223.276 0.929 20 0 BCADLO CCN(CCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493384563 528461172 /nfs/dbraw/zinc/46/11/72/528461172.db2.gz IZSJDCIDPYIYIX-PLNGDYQASA-N 1 2 223.276 0.654 20 0 BCADLO CC(C)[C@@H](CO)ONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493620766 528483816 /nfs/dbraw/zinc/48/38/16/528483816.db2.gz XQSRWQXZSLPGHH-CDAZIORVSA-N 1 2 239.275 0.488 20 0 BCADLO CCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904508 528520985 /nfs/dbraw/zinc/52/09/85/528520985.db2.gz XCYZBXNQRANRRL-ARJAWSKDSA-N 1 2 209.249 0.264 20 0 BCADLO CCO/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000493552137 528525088 /nfs/dbraw/zinc/52/50/88/528525088.db2.gz KIDYHRWSYPQCRC-YWEYNIOJSA-N 1 2 209.249 0.619 20 0 BCADLO CCO/C=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000493640615 528528355 /nfs/dbraw/zinc/52/83/55/528528355.db2.gz IEVYLBDJIGWDJA-PLNGDYQASA-N 1 2 209.249 0.885 20 0 BCADLO CCO/C=C\C(=O)NCc1c[nH+]cn1C ZINC000493682300 528529379 /nfs/dbraw/zinc/52/93/79/528529379.db2.gz HPJKULPMRCORKA-PLNGDYQASA-N 1 2 209.249 0.587 20 0 BCADLO CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493444223 528758958 /nfs/dbraw/zinc/75/89/58/528758958.db2.gz AYOHRWIGKKMEKM-ARJAWSKDSA-N 1 2 209.249 0.576 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)C1CC1 ZINC000400236926 528788628 /nfs/dbraw/zinc/78/86/28/528788628.db2.gz IVXSASHBAMLLIS-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)C1CC1 ZINC000400236926 528788632 /nfs/dbraw/zinc/78/86/32/528788632.db2.gz IVXSASHBAMLLIS-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CN(C)C(=O)O1 ZINC000496494934 528797782 /nfs/dbraw/zinc/79/77/82/528797782.db2.gz XBHOALWQCRXDPX-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO CCOCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492770470 528816050 /nfs/dbraw/zinc/81/60/50/528816050.db2.gz QTRGFKWYNYQNQE-ARJAWSKDSA-N 1 2 225.248 0.507 20 0 BCADLO CCOCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492770480 528816389 /nfs/dbraw/zinc/81/63/89/528816389.db2.gz QTRGFKWYNYQNQE-ONEGZZNKSA-N 1 2 225.248 0.507 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474450 528896720 /nfs/dbraw/zinc/89/67/20/528896720.db2.gz PPJUMGFQXGVJLW-BDAKNGLRSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474450 528896722 /nfs/dbraw/zinc/89/67/22/528896722.db2.gz PPJUMGFQXGVJLW-BDAKNGLRSA-N 1 2 229.324 0.097 20 0 BCADLO CC(C)[C@H](CO)ONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493620769 529024937 /nfs/dbraw/zinc/02/49/37/529024937.db2.gz XQSRWQXZSLPGHH-NWALNABHSA-N 1 2 239.275 0.488 20 0 BCADLO CCN1CC[N@H+](CCOC)[C@H](C)C1=O ZINC000495198708 529146272 /nfs/dbraw/zinc/14/62/72/529146272.db2.gz DCYIZYWBDCTZNI-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@@H+](CCOC)[C@H](C)C1=O ZINC000495198708 529146273 /nfs/dbraw/zinc/14/62/73/529146273.db2.gz DCYIZYWBDCTZNI-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493554316 529221309 /nfs/dbraw/zinc/22/13/09/529221309.db2.gz LXISYVNHLXJLMQ-UMBAGQNISA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H]1CC[N@@H+]1CN1C[C@@H](C(=O)OC)OC1=O ZINC000496321145 529244952 /nfs/dbraw/zinc/24/49/52/529244952.db2.gz FQNKFMMSSXENMG-IUCAKERBSA-N 1 2 242.275 0.422 20 0 BCADLO CC[C@H]1CC[N@H+]1CN1C[C@@H](C(=O)OC)OC1=O ZINC000496321145 529244957 /nfs/dbraw/zinc/24/49/57/529244957.db2.gz FQNKFMMSSXENMG-IUCAKERBSA-N 1 2 242.275 0.422 20 0 BCADLO CC[C@H]1CN(CC[NH2+]Cc2ccn[nH]2)CCO1 ZINC000487166769 529294239 /nfs/dbraw/zinc/29/42/39/529294239.db2.gz YQAWIWYAXNUAEC-LBPRGKRZSA-N 1 2 238.335 0.610 20 0 BCADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1O ZINC000493687778 529346782 /nfs/dbraw/zinc/34/67/82/529346782.db2.gz OZMFHLAGPPSJKM-OKWQPMOJSA-N 1 2 235.287 0.652 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000353993554 536553176 /nfs/dbraw/zinc/55/31/76/536553176.db2.gz CKMSTFGCJHRXKH-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)NC(C)C ZINC000183062080 535018188 /nfs/dbraw/zinc/01/81/88/535018188.db2.gz AOELCOCYXNWJDG-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NC(C)C ZINC000183062080 535018194 /nfs/dbraw/zinc/01/81/94/535018194.db2.gz AOELCOCYXNWJDG-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC[C@H](C)O ZINC000173822007 535165685 /nfs/dbraw/zinc/16/56/85/535165685.db2.gz NPOMZLOQZUVBKT-VIFPVBQESA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC[C@H](C)O ZINC000173822007 535165691 /nfs/dbraw/zinc/16/56/91/535165691.db2.gz NPOMZLOQZUVBKT-VIFPVBQESA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@H]1CCOC1 ZINC000178340570 535165757 /nfs/dbraw/zinc/16/57/57/535165757.db2.gz PPPQXUBVFTTZLR-SNVBAGLBSA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000178340570 535165761 /nfs/dbraw/zinc/16/57/61/535165761.db2.gz PPPQXUBVFTTZLR-SNVBAGLBSA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)(O)CC[N@H+](CCO)CC(F)F ZINC000231339034 535283974 /nfs/dbraw/zinc/28/39/74/535283974.db2.gz UXCXBNDAQAMPMM-UHFFFAOYSA-N 1 2 211.252 0.707 20 0 BCADLO CC(C)(O)CC[N@@H+](CCO)CC(F)F ZINC000231339034 535283976 /nfs/dbraw/zinc/28/39/76/535283976.db2.gz UXCXBNDAQAMPMM-UHFFFAOYSA-N 1 2 211.252 0.707 20 0 BCADLO CC1(C)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263089844 535346258 /nfs/dbraw/zinc/34/62/58/535346258.db2.gz YIEACUGYZLPVMB-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)C)C[C@@H](C)O ZINC000352219082 535395730 /nfs/dbraw/zinc/39/57/30/535395730.db2.gz BOVAGJVMBKXRIO-SECBINFHSA-N 1 2 227.312 0.457 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)C)C[C@@H](C)O ZINC000352219082 535395731 /nfs/dbraw/zinc/39/57/31/535395731.db2.gz BOVAGJVMBKXRIO-SECBINFHSA-N 1 2 227.312 0.457 20 0 BCADLO CCN(CC)C(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084376987 535428367 /nfs/dbraw/zinc/42/83/67/535428367.db2.gz NRRSYCAFYLLWPV-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171078840 535452592 /nfs/dbraw/zinc/45/25/92/535452592.db2.gz VQARGKNNGFVFKE-ONGXEEELSA-N 1 2 236.319 0.853 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171078840 535452596 /nfs/dbraw/zinc/45/25/96/535452596.db2.gz VQARGKNNGFVFKE-ONGXEEELSA-N 1 2 236.319 0.853 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCn1cncn1 ZINC000266005719 535554325 /nfs/dbraw/zinc/55/43/25/535554325.db2.gz PYQXJZPFUTWAJV-UHFFFAOYSA-N 1 2 226.280 0.209 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249079595 535579065 /nfs/dbraw/zinc/57/90/65/535579065.db2.gz SGOVVVSKFBPWLI-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000249079595 535579070 /nfs/dbraw/zinc/57/90/70/535579070.db2.gz SGOVVVSKFBPWLI-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335697388 535720092 /nfs/dbraw/zinc/72/00/92/535720092.db2.gz OVBUCJWRSXFYKK-HWPZZCPQSA-N 1 2 246.376 0.165 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335697388 535720099 /nfs/dbraw/zinc/72/00/99/535720099.db2.gz OVBUCJWRSXFYKK-HWPZZCPQSA-N 1 2 246.376 0.165 20 0 BCADLO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1nnnn1C1CC1 ZINC000352222855 535765590 /nfs/dbraw/zinc/76/55/90/535765590.db2.gz SQBDBNZKOBMLNK-BDAKNGLRSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1nnnn1C1CC1 ZINC000352222855 535765591 /nfs/dbraw/zinc/76/55/91/535765591.db2.gz SQBDBNZKOBMLNK-BDAKNGLRSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@@](C)(O)C[N@@H+]1CCn2cnnc2C1 ZINC000119423990 536004476 /nfs/dbraw/zinc/00/44/76/536004476.db2.gz VVPGCCUFHNZEIT-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@@](C)(O)C[N@H+]1CCn2cnnc2C1 ZINC000119423990 536004480 /nfs/dbraw/zinc/00/44/80/536004480.db2.gz VVPGCCUFHNZEIT-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCc1nc(C2([NH2+]CCO)CCCC2)no1 ZINC000177822717 536127246 /nfs/dbraw/zinc/12/72/46/536127246.db2.gz DCPGQXYHBWIJOU-UHFFFAOYSA-N 1 2 225.292 0.983 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000347719026 536161287 /nfs/dbraw/zinc/16/12/87/536161287.db2.gz GMQHREZFPYEPDK-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000347719026 536161291 /nfs/dbraw/zinc/16/12/91/536161291.db2.gz GMQHREZFPYEPDK-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000342352284 536338081 /nfs/dbraw/zinc/33/80/81/536338081.db2.gz HNXRYHGVIAICQM-SNVBAGLBSA-N 1 2 249.318 0.288 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000342352284 536338085 /nfs/dbraw/zinc/33/80/85/536338085.db2.gz HNXRYHGVIAICQM-SNVBAGLBSA-N 1 2 249.318 0.288 20 0 BCADLO CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000336060343 536368936 /nfs/dbraw/zinc/36/89/36/536368936.db2.gz BJWVEMKSKIXMMT-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000336060343 536368939 /nfs/dbraw/zinc/36/89/39/536368939.db2.gz BJWVEMKSKIXMMT-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000273212529 536401168 /nfs/dbraw/zinc/40/11/68/536401168.db2.gz PODRHHZMYIUFNH-SECBINFHSA-N 1 2 221.260 0.033 20 0 BCADLO CN1CCN(C[C@@H]2CNC(=O)O2)c2ccc[nH+]c21 ZINC000272214498 536414859 /nfs/dbraw/zinc/41/48/59/536414859.db2.gz DWFGEVFSLQWJEC-VIFPVBQESA-N 1 2 248.286 0.446 20 0 BCADLO CN1CCN(c2cc[nH+]c(C3CC3)n2)CC1=O ZINC000156622101 536424415 /nfs/dbraw/zinc/42/44/15/536424415.db2.gz IEZOVBMWNWZRFS-UHFFFAOYSA-N 1 2 232.287 0.632 20 0 BCADLO CN1CCN(c2cc[nH+]c3ccncc32)CC1=O ZINC000267931787 536424973 /nfs/dbraw/zinc/42/49/73/536424973.db2.gz FRRPNJUZUYXJIB-UHFFFAOYSA-N 1 2 242.282 0.908 20 0 BCADLO COC1(C(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000334412554 536520193 /nfs/dbraw/zinc/52/01/93/536520193.db2.gz LYEUODWTNBSOCU-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892616215 582930834 /nfs/dbraw/zinc/93/08/34/582930834.db2.gz KMZYISOGIVKEID-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892616215 582930839 /nfs/dbraw/zinc/93/08/39/582930839.db2.gz KMZYISOGIVKEID-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000342741877 536732971 /nfs/dbraw/zinc/73/29/71/536732971.db2.gz YMSHXXQJGVXIHB-JGVFFNPUSA-N 1 2 226.280 0.367 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000342741877 536732976 /nfs/dbraw/zinc/73/29/76/536732976.db2.gz YMSHXXQJGVXIHB-JGVFFNPUSA-N 1 2 226.280 0.367 20 0 BCADLO COCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408088796 536765541 /nfs/dbraw/zinc/76/55/41/536765541.db2.gz KPWIAWCVVCVPGO-QMMMGPOBSA-N 1 2 209.249 0.720 20 0 BCADLO COCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539154 536770672 /nfs/dbraw/zinc/77/06/72/536770672.db2.gz BSVBLDIGGRCXNJ-SSDOTTSWSA-N 1 2 222.235 0.088 20 0 BCADLO CC=CC[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349011467 538066135 /nfs/dbraw/zinc/06/61/35/538066135.db2.gz IOKNCKSXHXSTIL-FSIBCCDJSA-N 1 2 248.286 0.807 20 0 BCADLO Cc1cc(NCCOC[C@H]2CCOC2)nc[nH+]1 ZINC000599926341 566360355 /nfs/dbraw/zinc/36/03/55/566360355.db2.gz RGZABCPUMQFXMC-NSHDSACASA-N 1 2 237.303 1.250 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000339582652 566373590 /nfs/dbraw/zinc/37/35/90/566373590.db2.gz CACBEDUCAPDBEV-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000339582652 566373595 /nfs/dbraw/zinc/37/35/95/566373595.db2.gz CACBEDUCAPDBEV-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO COC[C@H](O)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000893050194 583036854 /nfs/dbraw/zinc/03/68/54/583036854.db2.gz IIMOWGOAYQONOR-VHSXEESVSA-N 1 2 240.303 0.944 20 0 BCADLO CCO/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000840590004 583094315 /nfs/dbraw/zinc/09/43/15/583094315.db2.gz SAQCFSZEAAHCBO-IBHLPDHGSA-N 1 2 243.303 0.801 20 0 BCADLO CCO/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000840590004 583094317 /nfs/dbraw/zinc/09/43/17/583094317.db2.gz SAQCFSZEAAHCBO-IBHLPDHGSA-N 1 2 243.303 0.801 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000840978807 583214707 /nfs/dbraw/zinc/21/47/07/583214707.db2.gz PMUMIKRZUPXRLZ-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000840978807 583214712 /nfs/dbraw/zinc/21/47/12/583214712.db2.gz PMUMIKRZUPXRLZ-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCc2n[nH]cc2C1 ZINC000852977097 588714679 /nfs/dbraw/zinc/71/46/79/588714679.db2.gz LYADQLYCJBOJKN-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1cc(F)ncn1 ZINC000853271056 588730278 /nfs/dbraw/zinc/73/02/78/588730278.db2.gz XAFYDECABTZNLD-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1cc(F)ncn1 ZINC000853271056 588730279 /nfs/dbraw/zinc/73/02/79/588730279.db2.gz XAFYDECABTZNLD-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2cnc(F)cn2)C1 ZINC000853316276 588732273 /nfs/dbraw/zinc/73/22/73/588732273.db2.gz LZSJRORUVTYECT-VIFPVBQESA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2cnc(F)cn2)C1 ZINC000853316276 588732274 /nfs/dbraw/zinc/73/22/74/588732274.db2.gz LZSJRORUVTYECT-VIFPVBQESA-N 1 2 239.298 0.273 20 0 BCADLO Cc1cccc(NCCN=c2nc[nH]n2C)[nH+]1 ZINC000853328834 588733476 /nfs/dbraw/zinc/73/34/76/588733476.db2.gz YKMYNRZHDCRXGW-UHFFFAOYSA-N 1 2 232.291 0.464 20 0 BCADLO C[C@@H](C[NH3+])NC(=O)c1cc(F)c(F)c(O)c1F ZINC000111303069 588741628 /nfs/dbraw/zinc/74/16/28/588741628.db2.gz VMGGACCMICQXHM-BYPYZUCNSA-N 1 2 248.204 0.887 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@H]2CCCOC2)c(=O)o1 ZINC000853495402 588745802 /nfs/dbraw/zinc/74/58/02/588745802.db2.gz TXJIYNLMLUPFRQ-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@H]2CCCOC2)c(=O)o1 ZINC000853495402 588745803 /nfs/dbraw/zinc/74/58/03/588745803.db2.gz TXJIYNLMLUPFRQ-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@@](C)(C(F)F)O1 ZINC000853630250 588751021 /nfs/dbraw/zinc/75/10/21/588751021.db2.gz FHSAWPFJEYPKSB-WPRPVWTQSA-N 1 2 246.261 0.980 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@@](C)(C(F)F)O1 ZINC000853630250 588751022 /nfs/dbraw/zinc/75/10/22/588751022.db2.gz FHSAWPFJEYPKSB-WPRPVWTQSA-N 1 2 246.261 0.980 20 0 BCADLO NC(=[NH+]OC[C@@H]1COCCO1)c1ccccc1 ZINC000853637227 588751383 /nfs/dbraw/zinc/75/13/83/588751383.db2.gz QZWVAYNCNCSJOJ-NSHDSACASA-N 1 2 236.271 0.949 20 0 BCADLO CCN1CC[C@@H](O[NH+]=C(N)COC(C)C)C1=O ZINC000853657780 588753145 /nfs/dbraw/zinc/75/31/45/588753145.db2.gz GLPSTYZWQQRDNF-SECBINFHSA-N 1 2 243.307 0.531 20 0 BCADLO CON1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000853671527 588754452 /nfs/dbraw/zinc/75/44/52/588754452.db2.gz WZWXHZWPBFLXTL-UHFFFAOYSA-N 1 2 233.275 0.641 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCO[C@@H]1CC1(F)F ZINC000853673935 588754805 /nfs/dbraw/zinc/75/48/05/588754805.db2.gz MVYLGJPTXYSCPO-NKWVEPMBSA-N 1 2 238.234 0.944 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)[C@H](C)OC)OC ZINC000853674075 588754984 /nfs/dbraw/zinc/75/49/84/588754984.db2.gz QEPKMCDOCKAXHL-YUMQZZPRSA-N 1 2 220.269 0.181 20 0 BCADLO NC(CCO)=[NH+]OCc1cncs1 ZINC000853686561 588756204 /nfs/dbraw/zinc/75/62/04/588756204.db2.gz ANDRERQMOMHBEK-UHFFFAOYSA-N 1 2 201.251 0.524 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)COC(C)(C)C)OC ZINC000853688524 588756571 /nfs/dbraw/zinc/75/65/71/588756571.db2.gz POWKZSDLCXVGQM-VIFPVBQESA-N 1 2 248.323 0.961 20 0 BCADLO Cc1cc(N2CC3(C2)CNC(=O)O3)nc[nH+]1 ZINC000853697758 588757347 /nfs/dbraw/zinc/75/73/47/588757347.db2.gz UDUZYQPCGXHBIQ-UHFFFAOYSA-N 1 2 220.232 0.084 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698413 588757800 /nfs/dbraw/zinc/75/78/00/588757800.db2.gz QOAHERHLCUJVCN-HTQZYQBOSA-N 1 2 202.254 0.435 20 0 BCADLO Cn1c[nH+]cc1CCn1c(Cl)cncc1=O ZINC000853706031 588758085 /nfs/dbraw/zinc/75/80/85/588758085.db2.gz SSLHSVRPXUFLLK-UHFFFAOYSA-N 1 2 238.678 0.873 20 0 BCADLO COCCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742345 588760891 /nfs/dbraw/zinc/76/08/91/588760891.db2.gz KJLROSDMWOKANI-UHFFFAOYSA-N 1 2 246.307 0.717 20 0 BCADLO CCONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000854000958 588770416 /nfs/dbraw/zinc/77/04/16/588770416.db2.gz BIZNPEJEJFKMDQ-UWVGGRQHSA-N 1 2 245.323 0.346 20 0 BCADLO CCONC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000854000958 588770417 /nfs/dbraw/zinc/77/04/17/588770417.db2.gz BIZNPEJEJFKMDQ-UWVGGRQHSA-N 1 2 245.323 0.346 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854097010 588774554 /nfs/dbraw/zinc/77/45/54/588774554.db2.gz YDVFUGFLJJPFNP-BDAKNGLRSA-N 1 2 238.291 0.398 20 0 BCADLO CC1=NO[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000854275268 588782449 /nfs/dbraw/zinc/78/24/49/588782449.db2.gz JVRKNRMFBDBYGQ-SECBINFHSA-N 1 2 236.275 0.543 20 0 BCADLO O=C(NN1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854327364 588784202 /nfs/dbraw/zinc/78/42/02/588784202.db2.gz LDXGLAJDXPKWHP-VIFPVBQESA-N 1 2 234.303 0.642 20 0 BCADLO O=C(NN1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854327364 588784203 /nfs/dbraw/zinc/78/42/03/588784203.db2.gz LDXGLAJDXPKWHP-VIFPVBQESA-N 1 2 234.303 0.642 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353591 588784744 /nfs/dbraw/zinc/78/47/44/588784744.db2.gz ATLXDXMTQWHSKH-SFYABAPRSA-N 1 2 249.358 0.625 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353591 588784745 /nfs/dbraw/zinc/78/47/45/588784745.db2.gz ATLXDXMTQWHSKH-SFYABAPRSA-N 1 2 249.358 0.625 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000854461939 588788146 /nfs/dbraw/zinc/78/81/46/588788146.db2.gz DKNZOENKMWMULL-MRVPVSSYSA-N 1 2 241.291 0.466 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000854461939 588788147 /nfs/dbraw/zinc/78/81/47/588788147.db2.gz DKNZOENKMWMULL-MRVPVSSYSA-N 1 2 241.291 0.466 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854499051 588789536 /nfs/dbraw/zinc/78/95/36/588789536.db2.gz QSBNXHWHMQNPSW-ONGXEEELSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H](NC(=O)[C@H]1NC(=O)O[C@H]1C)c1[nH]cc[nH+]1 ZINC000854594085 588796446 /nfs/dbraw/zinc/79/64/46/588796446.db2.gz CXDJUCJWEFBUSK-VQVTYTSYSA-N 1 2 238.247 0.084 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CO)CC1 ZINC000854669867 588800327 /nfs/dbraw/zinc/80/03/27/588800327.db2.gz RXTKKUFJXMZKAT-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO C[C@H](O)CN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000854852008 588813282 /nfs/dbraw/zinc/81/32/82/588813282.db2.gz NNVMWEXCLAHDDO-ZETCQYMHSA-N 1 2 247.245 0.427 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)O ZINC000854830363 588812697 /nfs/dbraw/zinc/81/26/97/588812697.db2.gz VZHSTGUNIUYXJN-YUMQZZPRSA-N 1 2 211.265 0.228 20 0 BCADLO CC[C@@H]1OCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854918287 588816910 /nfs/dbraw/zinc/81/69/10/588816910.db2.gz QQMWHCBZGOLJTI-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H](C(=O)NOCC[NH+](C)C)c1ccnn1C ZINC000854947307 588818234 /nfs/dbraw/zinc/81/82/34/588818234.db2.gz PUHDXCHKMFBPQA-VIFPVBQESA-N 1 2 240.307 0.133 20 0 BCADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854949654 588818540 /nfs/dbraw/zinc/81/85/40/588818540.db2.gz FVKCPGRHDHTERL-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H](CO)C1 ZINC000854951256 588818633 /nfs/dbraw/zinc/81/86/33/588818633.db2.gz SJVGRSIIVSTJGZ-VHSXEESVSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCCC1(O)CCC1 ZINC000854961199 588818975 /nfs/dbraw/zinc/81/89/75/588818975.db2.gz NFAVJXIMKDQTFO-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CCC[C@H](C)[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855014007 588820513 /nfs/dbraw/zinc/82/05/13/588820513.db2.gz GKBJYYKCKZXVCU-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO COC/C(C)=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135656 588822996 /nfs/dbraw/zinc/82/29/96/588822996.db2.gz RTGRNFCXSPTELN-RUDMXATFSA-N 1 2 223.276 0.961 20 0 BCADLO COC/C(C)=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135656 588822997 /nfs/dbraw/zinc/82/29/97/588822997.db2.gz RTGRNFCXSPTELN-RUDMXATFSA-N 1 2 223.276 0.961 20 0 BCADLO CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)COC1 ZINC000855134449 588823000 /nfs/dbraw/zinc/82/30/00/588823000.db2.gz OQXDQLCPMNYFDK-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)COC1 ZINC000855134449 588823001 /nfs/dbraw/zinc/82/30/01/588823001.db2.gz OQXDQLCPMNYFDK-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135724 588823063 /nfs/dbraw/zinc/82/30/63/588823063.db2.gz UTAMSUIDMZXUPD-UHFFFAOYSA-N 1 2 235.247 0.419 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135724 588823064 /nfs/dbraw/zinc/82/30/64/588823064.db2.gz UTAMSUIDMZXUPD-UHFFFAOYSA-N 1 2 235.247 0.419 20 0 BCADLO Cn1cc(C[N@H+](C)CN2CCCC2=O)cn1 ZINC000113240155 588827678 /nfs/dbraw/zinc/82/76/78/588827678.db2.gz XJXFYIIMLKCONF-UHFFFAOYSA-N 1 2 222.292 0.432 20 0 BCADLO Cn1cc(C[N@@H+](C)CN2CCCC2=O)cn1 ZINC000113240155 588827679 /nfs/dbraw/zinc/82/76/79/588827679.db2.gz XJXFYIIMLKCONF-UHFFFAOYSA-N 1 2 222.292 0.432 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCC[C@@H]1C ZINC000890528781 582468330 /nfs/dbraw/zinc/46/83/30/582468330.db2.gz UPJMNGMXCKPDJG-VIFPVBQESA-N 1 2 237.303 0.898 20 0 BCADLO C[C@@]1(C2CC2)COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000890588457 582484901 /nfs/dbraw/zinc/48/49/01/582484901.db2.gz FABTVCXKGGBLBT-ZDUSSCGKSA-N 1 2 249.314 0.980 20 0 BCADLO COC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855413219 588831870 /nfs/dbraw/zinc/83/18/70/588831870.db2.gz IKBIFUBDAUNQCV-DTWKUNHWSA-N 1 2 216.281 0.452 20 0 BCADLO COC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855413219 588831871 /nfs/dbraw/zinc/83/18/71/588831871.db2.gz IKBIFUBDAUNQCV-DTWKUNHWSA-N 1 2 216.281 0.452 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@@H](O)C1CC1 ZINC000890718427 582514660 /nfs/dbraw/zinc/51/46/60/582514660.db2.gz RQWMJMIKWJZOAB-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO CN(C)[C@H](C(=O)N[C@@H]1C=CCC1)c1c[nH+]cn1C ZINC000855432855 588835689 /nfs/dbraw/zinc/83/56/89/588835689.db2.gz MOZPUCSQQLUQTA-PWSUYJOCSA-N 1 2 248.330 0.858 20 0 BCADLO CC(C)CNC(=O)NCc1c[nH+]cn1C ZINC000290639702 582568663 /nfs/dbraw/zinc/56/86/63/582568663.db2.gz LXNPHIPMQAZOGO-UHFFFAOYSA-N 1 2 210.281 0.875 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@@H](C)O ZINC000890851732 582580676 /nfs/dbraw/zinc/58/06/76/582580676.db2.gz DEMZTPBGWOYVOC-SECBINFHSA-N 1 2 233.271 0.640 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH+]cn2C)no1 ZINC000890989714 582594726 /nfs/dbraw/zinc/59/47/26/582594726.db2.gz JHYRNSXCXODQLV-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891041960 582599857 /nfs/dbraw/zinc/59/98/57/582599857.db2.gz LGFAMJCZSIFZHK-NXEZZACHSA-N 1 2 235.287 0.493 20 0 BCADLO CCc1cc(NCCn2cnnn2)nc[nH+]1 ZINC000845575390 582614568 /nfs/dbraw/zinc/61/45/68/582614568.db2.gz UXRICGZXKPOMFR-UHFFFAOYSA-N 1 2 219.252 0.138 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000891257446 582642289 /nfs/dbraw/zinc/64/22/89/582642289.db2.gz PKZNWGUHUJPTDF-LPEHRKFASA-N 1 2 235.287 0.869 20 0 BCADLO COCCN(CCF)C(=O)C[NH+]1CC(C)(C)C1 ZINC000855595999 588841200 /nfs/dbraw/zinc/84/12/00/588841200.db2.gz PKMNSEDJPUKQLY-UHFFFAOYSA-N 1 2 246.326 0.773 20 0 BCADLO CN1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846772279 582665771 /nfs/dbraw/zinc/66/57/71/582665771.db2.gz QWCHVNFIQZBQHT-UHFFFAOYSA-N 1 2 232.287 0.970 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CC=CC1 ZINC000348578234 582673501 /nfs/dbraw/zinc/67/35/01/582673501.db2.gz VSMMCCKMGXWFJW-JTQLQIEISA-N 1 2 246.270 0.591 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C1CC=CC1 ZINC000348578234 582673505 /nfs/dbraw/zinc/67/35/05/582673505.db2.gz VSMMCCKMGXWFJW-JTQLQIEISA-N 1 2 246.270 0.591 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCCO)[nH+]cn1 ZINC000891410999 582680760 /nfs/dbraw/zinc/68/07/60/582680760.db2.gz XDGRWNFFVWCOHV-VIFPVBQESA-N 1 2 240.307 0.454 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCCO)nc[nH+]1 ZINC000891410999 582680762 /nfs/dbraw/zinc/68/07/62/582680762.db2.gz XDGRWNFFVWCOHV-VIFPVBQESA-N 1 2 240.307 0.454 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COC2(CCC2)C1 ZINC000855658996 588843992 /nfs/dbraw/zinc/84/39/92/588843992.db2.gz GUKJCALVDRTYNT-SNVBAGLBSA-N 1 2 249.314 0.790 20 0 BCADLO COCc1nccc(NCCn2cc[nH+]c2)n1 ZINC000891515232 582694304 /nfs/dbraw/zinc/69/43/04/582694304.db2.gz CEBRLPUOIURKIR-UHFFFAOYSA-N 1 2 233.275 0.932 20 0 BCADLO O=C(NC/C=C/Cl)NCCn1cc[nH+]c1 ZINC000891558199 582697500 /nfs/dbraw/zinc/69/75/00/582697500.db2.gz AJRFUMDRUGMCKA-OWOJBTEDSA-N 1 2 228.683 0.935 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc2c1OCC2 ZINC000891580937 582699636 /nfs/dbraw/zinc/69/96/36/582699636.db2.gz DBEJHEDAKMIXCV-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000086503478 582716247 /nfs/dbraw/zinc/71/62/47/582716247.db2.gz OTADOBHRWVBWDN-UHFFFAOYSA-N 1 2 245.348 0.631 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cnc(CO)cn1 ZINC000891783354 582720477 /nfs/dbraw/zinc/72/04/77/582720477.db2.gz FJTLBCMJUWVPDY-SECBINFHSA-N 1 2 233.275 0.666 20 0 BCADLO CCOCCNc1cc(N(C)C)nc[nH+]1 ZINC000891885954 582734743 /nfs/dbraw/zinc/73/47/43/582734743.db2.gz YWPWXYFOESAJRD-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO CCOCCNc1cc(N(C)C)[nH+]cn1 ZINC000891885954 582734745 /nfs/dbraw/zinc/73/47/45/582734745.db2.gz YWPWXYFOESAJRD-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@@H]2COCCO2)[nH+]1 ZINC000891919247 582737990 /nfs/dbraw/zinc/73/79/90/582737990.db2.gz WVEBUPWHBTXPSP-NXEZZACHSA-N 1 2 238.287 0.962 20 0 BCADLO CN(C)c1cc(NC[C@@H]2COCCO2)[nH+]cn1 ZINC000891916364 582738139 /nfs/dbraw/zinc/73/81/39/582738139.db2.gz ACDHGGPOGYDRAD-SECBINFHSA-N 1 2 238.291 0.370 20 0 BCADLO CN(C)c1cc(NC[C@@H]2COCCO2)nc[nH+]1 ZINC000891916364 582738142 /nfs/dbraw/zinc/73/81/42/582738142.db2.gz ACDHGGPOGYDRAD-SECBINFHSA-N 1 2 238.291 0.370 20 0 BCADLO CN(CCC1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866857785 582762892 /nfs/dbraw/zinc/76/28/92/582762892.db2.gz QOJGDFYDHYUPFL-SNVBAGLBSA-N 1 2 223.276 0.702 20 0 BCADLO CN1CCN(Cc2[nH+]ccn2C2CC2)CC1=O ZINC000892059216 582779012 /nfs/dbraw/zinc/77/90/12/582779012.db2.gz ZJSAPWDVLJOCCF-UHFFFAOYSA-N 1 2 234.303 0.492 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000892060821 582781318 /nfs/dbraw/zinc/78/13/18/582781318.db2.gz NERRXZNSSDGAJS-DTWKUNHWSA-N 1 2 222.292 0.875 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000892080330 582787070 /nfs/dbraw/zinc/78/70/70/582787070.db2.gz FQRJSJNCMMHCLD-SNVBAGLBSA-N 1 2 238.287 0.951 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000892080330 582787074 /nfs/dbraw/zinc/78/70/74/582787074.db2.gz FQRJSJNCMMHCLD-SNVBAGLBSA-N 1 2 238.287 0.951 20 0 BCADLO Cn1nc2c(c1C[N@H+](C)[C@@H]1CCNC1=O)CCC2 ZINC000892241586 582811938 /nfs/dbraw/zinc/81/19/38/582811938.db2.gz LUDUTRPOJLBQMP-LLVKDONJSA-N 1 2 248.330 0.229 20 0 BCADLO Cn1nc2c(c1C[N@@H+](C)[C@@H]1CCNC1=O)CCC2 ZINC000892241586 582811942 /nfs/dbraw/zinc/81/19/42/582811942.db2.gz LUDUTRPOJLBQMP-LLVKDONJSA-N 1 2 248.330 0.229 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000855923628 588854187 /nfs/dbraw/zinc/85/41/87/588854187.db2.gz RJEAQCPVULMEKU-DTWKUNHWSA-N 1 2 235.287 0.372 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]1CO ZINC000889142811 582843102 /nfs/dbraw/zinc/84/31/02/582843102.db2.gz RSCCVJKJEZCPKJ-SECBINFHSA-N 1 2 231.255 0.541 20 0 BCADLO C[N@H+](Cc1cn(C2CCC2)nn1)C1(CO)CC1 ZINC000668798994 582905679 /nfs/dbraw/zinc/90/56/79/582905679.db2.gz UMZVLHHXFQGOAY-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO C[N@@H+](Cc1cn(C2CCC2)nn1)C1(CO)CC1 ZINC000668798994 582905680 /nfs/dbraw/zinc/90/56/80/582905680.db2.gz UMZVLHHXFQGOAY-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2COC[C@H]2C1 ZINC000856148677 588862911 /nfs/dbraw/zinc/86/29/11/588862911.db2.gz WKJDNLSILWVLHX-NXEZZACHSA-N 1 2 235.287 0.447 20 0 BCADLO OC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892637790 582935036 /nfs/dbraw/zinc/93/50/36/582935036.db2.gz RCXKDRNYQSWOBC-VIFPVBQESA-N 1 2 218.260 0.548 20 0 BCADLO COC[C@@H](C)[NH+]1CCN(c2ncns2)CC1 ZINC000134789788 582947932 /nfs/dbraw/zinc/94/79/32/582947932.db2.gz ZYJRKMLGDNGNFH-SECBINFHSA-N 1 2 242.348 0.695 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@]1(C)CO ZINC000856247901 588865305 /nfs/dbraw/zinc/86/53/05/588865305.db2.gz HKOMDTYCHFBYJL-JOYOIKCWSA-N 1 2 237.303 0.429 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000856269351 588866065 /nfs/dbraw/zinc/86/60/65/588866065.db2.gz QQPPESHUARMBMT-XCBNKYQSSA-N 1 2 209.249 0.246 20 0 BCADLO COC/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281369 588866963 /nfs/dbraw/zinc/86/69/63/588866963.db2.gz NRPMGTYLXVCANY-XRVBUDJMSA-N 1 2 223.276 0.800 20 0 BCADLO CO[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892808530 582986163 /nfs/dbraw/zinc/98/61/63/582986163.db2.gz AMWDRHHWKLOOLV-SECBINFHSA-N 1 2 222.292 0.768 20 0 BCADLO CO[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892808530 582986166 /nfs/dbraw/zinc/98/61/66/582986166.db2.gz AMWDRHHWKLOOLV-SECBINFHSA-N 1 2 222.292 0.768 20 0 BCADLO C[C@@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000892807915 582986193 /nfs/dbraw/zinc/98/61/93/582986193.db2.gz YYFHTHYISITQSH-LLVKDONJSA-N 1 2 218.260 0.690 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000851968662 582987492 /nfs/dbraw/zinc/98/74/92/582987492.db2.gz PEEHMHZNCCUQQG-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000851968662 582987494 /nfs/dbraw/zinc/98/74/94/582987494.db2.gz PEEHMHZNCCUQQG-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO CN(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000892907753 583007832 /nfs/dbraw/zinc/00/78/32/583007832.db2.gz ANMFOQAYRMPZOB-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000892907753 583007837 /nfs/dbraw/zinc/00/78/37/583007837.db2.gz ANMFOQAYRMPZOB-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CCC(=O)N1CC[C@@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000892928558 583011167 /nfs/dbraw/zinc/01/11/67/583011167.db2.gz ISZBGLBARPMWLD-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CCC(=O)N1CC[C@@H](Nc2cc(NC)nc[nH+]2)C1 ZINC000892928558 583011168 /nfs/dbraw/zinc/01/11/68/583011168.db2.gz ISZBGLBARPMWLD-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCOC2)[nH+]cn1 ZINC000892954105 583018448 /nfs/dbraw/zinc/01/84/48/583018448.db2.gz SFQTUYQDWVHBTR-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCOC2)nc[nH+]1 ZINC000892954105 583018451 /nfs/dbraw/zinc/01/84/51/583018451.db2.gz SFQTUYQDWVHBTR-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000893054161 583038490 /nfs/dbraw/zinc/03/84/90/583038490.db2.gz VBYNGKBPSZKFEF-DTWKUNHWSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000893054161 583038491 /nfs/dbraw/zinc/03/84/91/583038491.db2.gz VBYNGKBPSZKFEF-DTWKUNHWSA-N 1 2 249.318 0.845 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1O ZINC000893078187 583043319 /nfs/dbraw/zinc/04/33/19/583043319.db2.gz CEIXKGXDWXJJTJ-BDAKNGLRSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1O ZINC000893078187 583043321 /nfs/dbraw/zinc/04/33/21/583043321.db2.gz CEIXKGXDWXJJTJ-BDAKNGLRSA-N 1 2 222.292 0.360 20 0 BCADLO CCN1CCN(c2cccc([C@@H](C)O)[nH+]2)CC1=O ZINC000893164388 583061091 /nfs/dbraw/zinc/06/10/91/583061091.db2.gz OOWFKEOHQUQWQT-SNVBAGLBSA-N 1 2 249.314 0.803 20 0 BCADLO Cn1ccnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c1=O ZINC000856739630 588875787 /nfs/dbraw/zinc/87/57/87/588875787.db2.gz DCFJVEFLYMMQGW-SECBINFHSA-N 1 2 245.286 0.845 20 0 BCADLO CN(C)c1cc(NCC(F)(F)CO)[nH+]cn1 ZINC000893214256 583072377 /nfs/dbraw/zinc/07/23/77/583072377.db2.gz QPRWDAZZQJRXMW-UHFFFAOYSA-N 1 2 232.234 0.582 20 0 BCADLO CN(C)c1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000893214256 583072379 /nfs/dbraw/zinc/07/23/79/583072379.db2.gz QPRWDAZZQJRXMW-UHFFFAOYSA-N 1 2 232.234 0.582 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000856744846 588875867 /nfs/dbraw/zinc/87/58/67/588875867.db2.gz JFZFBQNSIBXVIJ-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000856744846 588875868 /nfs/dbraw/zinc/87/58/68/588875868.db2.gz JFZFBQNSIBXVIJ-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO C[C@@H](O)c1cccc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000893274700 583082265 /nfs/dbraw/zinc/08/22/65/583082265.db2.gz QQLASHVBVBNFQP-NXEZZACHSA-N 1 2 249.314 0.802 20 0 BCADLO Nc1nc(N2CCC[C@H]2CCO)nc(C2CC2)[nH+]1 ZINC000893275902 583082763 /nfs/dbraw/zinc/08/27/63/583082763.db2.gz WKMKXYRSYQXRLA-VIFPVBQESA-N 1 2 249.318 0.682 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCC[C@H]2CCO)n1 ZINC000893275902 583082764 /nfs/dbraw/zinc/08/27/64/583082764.db2.gz WKMKXYRSYQXRLA-VIFPVBQESA-N 1 2 249.318 0.682 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH+]ccn1C ZINC000856280755 583118063 /nfs/dbraw/zinc/11/80/63/583118063.db2.gz WBZFKCYYYQXTMA-DTWKUNHWSA-N 1 2 235.287 0.967 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH+]ccn1C ZINC000856280756 583118446 /nfs/dbraw/zinc/11/84/46/583118446.db2.gz WBZFKCYYYQXTMA-IUCAKERBSA-N 1 2 235.287 0.967 20 0 BCADLO CCOc1cncc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000856789028 588877714 /nfs/dbraw/zinc/87/77/14/588877714.db2.gz ZAGCNOHFVAZEMC-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO CCn1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000893361262 583124454 /nfs/dbraw/zinc/12/44/54/583124454.db2.gz JUVRQFCBDIZQBZ-VIFPVBQESA-N 1 2 249.318 0.151 20 0 BCADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1nnn(C)n1 ZINC000893533623 583158367 /nfs/dbraw/zinc/15/83/67/583158367.db2.gz KJBOJRDIROIAAD-SSDOTTSWSA-N 1 2 248.246 0.017 20 0 BCADLO C[C@H](O)c1cccc(NC[C@@](C)(O)CO)[nH+]1 ZINC000893627017 583176831 /nfs/dbraw/zinc/17/68/31/583176831.db2.gz ZZMHEUFGGNIDKU-GZMMTYOYSA-N 1 2 226.276 0.290 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000857015386 588882296 /nfs/dbraw/zinc/88/22/96/588882296.db2.gz ZQIYJBIIGSQICK-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000857015386 588882297 /nfs/dbraw/zinc/88/22/97/588882297.db2.gz ZQIYJBIIGSQICK-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NC2CC=CC2)c1 ZINC000893660674 583189531 /nfs/dbraw/zinc/18/95/31/583189531.db2.gz CLDFRCZCYWMUHD-UHFFFAOYSA-N 1 2 220.276 0.938 20 0 BCADLO c1cn(C2CC2)c(CN2CCn3ncnc3C2)[nH+]1 ZINC000893660780 583189733 /nfs/dbraw/zinc/18/97/33/583189733.db2.gz JSEVLYYXQIGWLT-UHFFFAOYSA-N 1 2 244.302 0.825 20 0 BCADLO CNc1cc(N2CC[C@](F)(CO)C2)nc[nH+]1 ZINC000893727971 583215653 /nfs/dbraw/zinc/21/56/53/583215653.db2.gz MWLUOCUSAYPAMI-SNVBAGLBSA-N 1 2 226.255 0.429 20 0 BCADLO CNc1cc(N2CC[C@](F)(CO)C2)[nH+]cn1 ZINC000893727971 583215654 /nfs/dbraw/zinc/21/56/54/583215654.db2.gz MWLUOCUSAYPAMI-SNVBAGLBSA-N 1 2 226.255 0.429 20 0 BCADLO C[C@H](CO)N(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000893739338 583216245 /nfs/dbraw/zinc/21/62/45/583216245.db2.gz CULSORVQJVYVNL-ZCFIWIBFSA-N 1 2 223.280 0.148 20 0 BCADLO C[C@H](CO)N(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000893739338 583216248 /nfs/dbraw/zinc/21/62/48/583216248.db2.gz CULSORVQJVYVNL-ZCFIWIBFSA-N 1 2 223.280 0.148 20 0 BCADLO COCCOC[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000893865707 583234976 /nfs/dbraw/zinc/23/49/76/583234976.db2.gz IVUFQEKBPUORQK-NXEZZACHSA-N 1 2 242.323 0.517 20 0 BCADLO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000893865712 583235116 /nfs/dbraw/zinc/23/51/16/583235116.db2.gz IVUFQEKBPUORQK-ZJUUUORDSA-N 1 2 242.323 0.517 20 0 BCADLO CCCN(CC(N)=O)c1nccn2c[nH+]cc12 ZINC000893963718 583258141 /nfs/dbraw/zinc/25/81/41/583258141.db2.gz DWIWGIYMLNRSHF-UHFFFAOYSA-N 1 2 233.275 0.431 20 0 BCADLO Cc1n[nH]c(C[N@@H+](CC(N)=O)CC(C)C)c1C ZINC000893952816 583261516 /nfs/dbraw/zinc/26/15/16/583261516.db2.gz MFEZDESLFMBOAJ-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1n[nH]c(C[N@H+](CC(N)=O)CC(C)C)c1C ZINC000893952816 583261517 /nfs/dbraw/zinc/26/15/17/583261517.db2.gz MFEZDESLFMBOAJ-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]nc(C)c1C ZINC000893967270 583264041 /nfs/dbraw/zinc/26/40/41/583264041.db2.gz ZDONFNGACIGYSX-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000893967270 583264043 /nfs/dbraw/zinc/26/40/43/583264043.db2.gz ZDONFNGACIGYSX-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000893974330 583264958 /nfs/dbraw/zinc/26/49/58/583264958.db2.gz UVZQBOAXTGWBQW-RNFRBKRXSA-N 1 2 227.264 0.980 20 0 BCADLO CNC(=O)[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893964712 583265836 /nfs/dbraw/zinc/26/58/36/583265836.db2.gz PROFLCXTYCIMAC-JGVFFNPUSA-N 1 2 223.276 0.681 20 0 BCADLO Cc1coc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000893987573 583269904 /nfs/dbraw/zinc/26/99/04/583269904.db2.gz UPKDYJYFAKTEIQ-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO Cc1coc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000893987573 583269907 /nfs/dbraw/zinc/26/99/07/583269907.db2.gz UPKDYJYFAKTEIQ-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](CO)C2)c1C ZINC000893987715 583270529 /nfs/dbraw/zinc/27/05/29/583270529.db2.gz ZXCMGFQQWQWADL-JTQLQIEISA-N 1 2 209.293 0.841 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@H](CO)C2)c1C ZINC000893987715 583270530 /nfs/dbraw/zinc/27/05/30/583270530.db2.gz ZXCMGFQQWQWADL-JTQLQIEISA-N 1 2 209.293 0.841 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000894000584 583271613 /nfs/dbraw/zinc/27/16/13/583271613.db2.gz GWASWDWLQVFHQW-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1ncoc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000894000584 583271615 /nfs/dbraw/zinc/27/16/15/583271615.db2.gz GWASWDWLQVFHQW-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO CC[C@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000894016774 583275991 /nfs/dbraw/zinc/27/59/91/583275991.db2.gz WJNNBKCOMSPELT-SECBINFHSA-N 1 2 220.276 0.936 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000894035046 583278101 /nfs/dbraw/zinc/27/81/01/583278101.db2.gz XDMCAJWNGJLBCY-AOOOYVTPSA-N 1 2 225.292 0.071 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000894035046 583278104 /nfs/dbraw/zinc/27/81/04/583278104.db2.gz XDMCAJWNGJLBCY-AOOOYVTPSA-N 1 2 225.292 0.071 20 0 BCADLO Cc1cc[nH+]c(N)c1CN(C)Cc1nc[nH]n1 ZINC000894035903 583279256 /nfs/dbraw/zinc/27/92/56/583279256.db2.gz NZSCHWJPYRGQMR-UHFFFAOYSA-N 1 2 232.291 0.722 20 0 BCADLO Cc1nonc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857129281 588890657 /nfs/dbraw/zinc/89/06/57/588890657.db2.gz WHBNWOAKBBOAKG-UHFFFAOYSA-N 1 2 249.274 0.695 20 0 BCADLO Cc1n[nH]c(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1C ZINC000894094214 583300041 /nfs/dbraw/zinc/30/00/41/583300041.db2.gz JWYKVQUAKHNRNF-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1C ZINC000894094214 583300042 /nfs/dbraw/zinc/30/00/42/583300042.db2.gz JWYKVQUAKHNRNF-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO CNc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000894120221 583310061 /nfs/dbraw/zinc/31/00/61/583310061.db2.gz OOKAZAMYBWJJQX-JGVFFNPUSA-N 1 2 235.291 0.584 20 0 BCADLO CNc1cc(NC[C@@]2(C)CCC(=O)N2)[nH+]cn1 ZINC000894139560 583316327 /nfs/dbraw/zinc/31/63/27/583316327.db2.gz MOYLAUWPCLNIHE-LLVKDONJSA-N 1 2 235.291 0.599 20 0 BCADLO CNc1cc(N2CCO[C@H](CF)C2)nc[nH+]1 ZINC000894180884 583330799 /nfs/dbraw/zinc/33/07/99/583330799.db2.gz GRNMMJBKYIMUPW-MRVPVSSYSA-N 1 2 226.255 0.693 20 0 BCADLO CNc1cc(N2CCO[C@H](CF)C2)[nH+]cn1 ZINC000894180884 583330802 /nfs/dbraw/zinc/33/08/02/583330802.db2.gz GRNMMJBKYIMUPW-MRVPVSSYSA-N 1 2 226.255 0.693 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894191518 583334269 /nfs/dbraw/zinc/33/42/69/583334269.db2.gz YOKSFELJHNZXDM-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894191518 583334271 /nfs/dbraw/zinc/33/42/71/583334271.db2.gz YOKSFELJHNZXDM-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CCCn1cc(C[NH+]2CC(C(C)(C)O)C2)nn1 ZINC000877581087 583337496 /nfs/dbraw/zinc/33/74/96/583337496.db2.gz MYYSAXFIYPUGPI-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC2)CCO1 ZINC000726253911 583343400 /nfs/dbraw/zinc/34/34/00/583343400.db2.gz DYQGMBOYXXGQJJ-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC2)CCO1 ZINC000726253911 583343401 /nfs/dbraw/zinc/34/34/01/583343401.db2.gz DYQGMBOYXXGQJJ-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC2)CCO1 ZINC000726253916 583344140 /nfs/dbraw/zinc/34/41/40/583344140.db2.gz DYQGMBOYXXGQJJ-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC2)CCO1 ZINC000726253916 583344141 /nfs/dbraw/zinc/34/41/41/583344141.db2.gz DYQGMBOYXXGQJJ-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCNC(=O)CC2)[nH+]cn1 ZINC000894207053 583351589 /nfs/dbraw/zinc/35/15/89/583351589.db2.gz RFUICPNWOVPRCY-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000894207053 583351591 /nfs/dbraw/zinc/35/15/91/583351591.db2.gz RFUICPNWOVPRCY-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000726789958 583374915 /nfs/dbraw/zinc/37/49/15/583374915.db2.gz LMCBILOJNGPVHO-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1cnc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000726789958 583374916 /nfs/dbraw/zinc/37/49/16/583374916.db2.gz LMCBILOJNGPVHO-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894244521 583389224 /nfs/dbraw/zinc/38/92/24/583389224.db2.gz SENQGJQEODAOHN-JTQLQIEISA-N 1 2 249.318 0.257 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894244521 583389226 /nfs/dbraw/zinc/38/92/26/583389226.db2.gz SENQGJQEODAOHN-JTQLQIEISA-N 1 2 249.318 0.257 20 0 BCADLO CON(C)C(=O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894248361 583390301 /nfs/dbraw/zinc/39/03/01/583390301.db2.gz LRXNPSIAIVFBJK-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO CNC(=O)[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894249961 583391235 /nfs/dbraw/zinc/39/12/35/583391235.db2.gz UIHSQGMFHXAYQS-VIFPVBQESA-N 1 2 245.286 0.302 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)CCS1 ZINC000857232246 588897682 /nfs/dbraw/zinc/89/76/82/588897682.db2.gz TZANPEBTHICDNF-MRVPVSSYSA-N 1 2 200.307 0.614 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)CCS1 ZINC000857232246 588897683 /nfs/dbraw/zinc/89/76/83/588897683.db2.gz TZANPEBTHICDNF-MRVPVSSYSA-N 1 2 200.307 0.614 20 0 BCADLO Cc1ncoc1CN[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000894345224 583430504 /nfs/dbraw/zinc/43/05/04/583430504.db2.gz FLZLMHBJAICYJD-PWSUYJOCSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncoc1CN[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000894345224 583430507 /nfs/dbraw/zinc/43/05/07/583430507.db2.gz FLZLMHBJAICYJD-PWSUYJOCSA-N 1 2 239.319 0.792 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894350221 583432743 /nfs/dbraw/zinc/43/27/43/583432743.db2.gz YRWKRQXUUCZGNP-DTWKUNHWSA-N 1 2 240.307 0.643 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894350222 583432914 /nfs/dbraw/zinc/43/29/14/583432914.db2.gz YRWKRQXUUCZGNP-IUCAKERBSA-N 1 2 240.307 0.643 20 0 BCADLO CC(=O)NCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000894354516 583434311 /nfs/dbraw/zinc/43/43/11/583434311.db2.gz NCBMNKAPAGNMAX-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO CC(=O)NCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000894354516 583434312 /nfs/dbraw/zinc/43/43/12/583434312.db2.gz NCBMNKAPAGNMAX-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)C[C@H](C2CC2)O1 ZINC000857234798 588898954 /nfs/dbraw/zinc/89/89/54/588898954.db2.gz MOUNBANAMSBREF-MWLCHTKSSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)C[C@H](C2CC2)O1 ZINC000857234798 588898955 /nfs/dbraw/zinc/89/89/55/588898955.db2.gz MOUNBANAMSBREF-MWLCHTKSSA-N 1 2 224.304 0.676 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000879743709 583445252 /nfs/dbraw/zinc/44/52/52/583445252.db2.gz CIFQTOBNIPNTQE-LNFKQOIKSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H]1CC[C@H](C)O1 ZINC000879743709 583445254 /nfs/dbraw/zinc/44/52/54/583445254.db2.gz CIFQTOBNIPNTQE-LNFKQOIKSA-N 1 2 243.303 0.162 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](CN1CCC1=O)CCO2 ZINC000857234805 588899369 /nfs/dbraw/zinc/89/93/69/588899369.db2.gz MPMXCTDEVOKCNH-ZYHUDNBSSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](CN1CCC1=O)CCO2 ZINC000857234805 588899370 /nfs/dbraw/zinc/89/93/70/588899370.db2.gz MPMXCTDEVOKCNH-ZYHUDNBSSA-N 1 2 240.303 0.056 20 0 BCADLO O=C1CCN1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000857234834 588899486 /nfs/dbraw/zinc/89/94/86/588899486.db2.gz NFGOFYFLYBUVRD-UHFFFAOYSA-N 1 2 234.246 0.268 20 0 BCADLO CNc1cc(N[C@@H](CO)CCF)nc[nH+]1 ZINC000894404380 583450438 /nfs/dbraw/zinc/45/04/38/583450438.db2.gz UPTZFCKWZXVVCA-SSDOTTSWSA-N 1 2 214.244 0.651 20 0 BCADLO CNc1cc(N[C@@H](CO)CCF)[nH+]cn1 ZINC000894404380 583450440 /nfs/dbraw/zinc/45/04/40/583450440.db2.gz UPTZFCKWZXVVCA-SSDOTTSWSA-N 1 2 214.244 0.651 20 0 BCADLO Nc1nc(N[C@H](CO)CCF)nc(C2CC2)[nH+]1 ZINC000894402441 583450684 /nfs/dbraw/zinc/45/06/84/583450684.db2.gz JCWVCNWXKLVZPO-ZETCQYMHSA-N 1 2 241.270 0.464 20 0 BCADLO Nc1nc(N[C@H](CO)CCF)[nH+]c(C2CC2)n1 ZINC000894402441 583450687 /nfs/dbraw/zinc/45/06/87/583450687.db2.gz JCWVCNWXKLVZPO-ZETCQYMHSA-N 1 2 241.270 0.464 20 0 BCADLO CO[C@](C)(CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000894423286 583455651 /nfs/dbraw/zinc/45/56/51/583455651.db2.gz QRCLVVAAQGBPLL-NSHDSACASA-N 1 2 240.307 0.352 20 0 BCADLO CO[C@](C)(CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000894423286 583455654 /nfs/dbraw/zinc/45/56/54/583455654.db2.gz QRCLVVAAQGBPLL-NSHDSACASA-N 1 2 240.307 0.352 20 0 BCADLO CN(C)C(=O)Cn1cc(NCc2c[nH+]c[nH]2)cn1 ZINC000894424231 583455820 /nfs/dbraw/zinc/45/58/20/583455820.db2.gz YFVNBZYUVYUCAO-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BCADLO CN(C)C(=O)Cn1cc(NCc2c[nH]c[nH+]2)cn1 ZINC000894424231 583455821 /nfs/dbraw/zinc/45/58/21/583455821.db2.gz YFVNBZYUVYUCAO-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BCADLO CO[C@@](C)(CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000894423285 583455876 /nfs/dbraw/zinc/45/58/76/583455876.db2.gz QRCLVVAAQGBPLL-LLVKDONJSA-N 1 2 240.307 0.352 20 0 BCADLO CO[C@@](C)(CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000894423285 583455879 /nfs/dbraw/zinc/45/58/79/583455879.db2.gz QRCLVVAAQGBPLL-LLVKDONJSA-N 1 2 240.307 0.352 20 0 BCADLO CO[C@@](C)(CO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894421833 583457627 /nfs/dbraw/zinc/45/76/27/583457627.db2.gz GEWGDXJYINXJHW-JOYOIKCWSA-N 1 2 240.303 0.944 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+]Cc1nonc1C ZINC000894465523 583467724 /nfs/dbraw/zinc/46/77/24/583467724.db2.gz YNLLXSIYJOVNKK-ZCFIWIBFSA-N 1 2 213.237 0.419 20 0 BCADLO COCc1nccc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000894469712 583468889 /nfs/dbraw/zinc/46/88/89/583468889.db2.gz BHHVNEKCYUUGDS-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO COCc1nccc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000894469712 583468891 /nfs/dbraw/zinc/46/88/91/583468891.db2.gz BHHVNEKCYUUGDS-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000894503838 583474141 /nfs/dbraw/zinc/47/41/41/583474141.db2.gz MAZCQURIYIHJGQ-JTQLQIEISA-N 1 2 239.319 0.481 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000894503838 583474142 /nfs/dbraw/zinc/47/41/42/583474142.db2.gz MAZCQURIYIHJGQ-JTQLQIEISA-N 1 2 239.319 0.481 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000748355427 583477900 /nfs/dbraw/zinc/47/79/00/583477900.db2.gz RTJFJVHWXRIELO-QMMMGPOBSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000748355427 583477901 /nfs/dbraw/zinc/47/79/01/583477901.db2.gz RTJFJVHWXRIELO-QMMMGPOBSA-N 1 2 222.292 0.494 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC000894573480 583486682 /nfs/dbraw/zinc/48/66/82/583486682.db2.gz ZBMXBOFNISGMIK-VHSXEESVSA-N 1 2 236.319 0.892 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC000894573480 583486683 /nfs/dbraw/zinc/48/66/83/583486683.db2.gz ZBMXBOFNISGMIK-VHSXEESVSA-N 1 2 236.319 0.892 20 0 BCADLO CN(C)c1cc(N2CCC(=O)N(C)CC2)nc[nH+]1 ZINC000894577199 583487765 /nfs/dbraw/zinc/48/77/65/583487765.db2.gz SJLGOCJYQXMDOT-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO CN(C)c1cc(N2CCC(=O)N(C)CC2)[nH+]cn1 ZINC000894577199 583487767 /nfs/dbraw/zinc/48/77/67/583487767.db2.gz SJLGOCJYQXMDOT-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO CCCN(CC(N)=O)Cc1[nH+]ccn1C1CC1 ZINC000894592004 583492170 /nfs/dbraw/zinc/49/21/70/583492170.db2.gz KCQPBJCINWJBTG-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1c(C)cc[nH+]c1N ZINC000894621556 583496223 /nfs/dbraw/zinc/49/62/23/583496223.db2.gz WABKAWWSDKOBDO-SECBINFHSA-N 1 2 237.303 0.966 20 0 BCADLO CCn1ncc(CNc2cc(N(C)C)nc[nH+]2)n1 ZINC000894697930 583510500 /nfs/dbraw/zinc/51/05/00/583510500.db2.gz SECQSJKNSJNHOD-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CCn1ncc(CNc2cc(N(C)C)[nH+]cn2)n1 ZINC000894697930 583510503 /nfs/dbraw/zinc/51/05/03/583510503.db2.gz SECQSJKNSJNHOD-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCOC[C@H]2O)[nH+]cn1 ZINC000894783068 583521328 /nfs/dbraw/zinc/52/13/28/583521328.db2.gz PMVINYQTOFNYRD-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCOC[C@H]2O)nc[nH+]1 ZINC000894783068 583521331 /nfs/dbraw/zinc/52/13/31/583521331.db2.gz PMVINYQTOFNYRD-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@@H]1CC[C@H]1C1CC1)CC2 ZINC000894811201 583523262 /nfs/dbraw/zinc/52/32/62/583523262.db2.gz WIHVTHWEIKRXHQ-CMPLNLGQSA-N 1 2 248.330 0.775 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@@H]1CC[C@H]1C1CC1)CC2 ZINC000894811201 583523263 /nfs/dbraw/zinc/52/32/63/583523263.db2.gz WIHVTHWEIKRXHQ-CMPLNLGQSA-N 1 2 248.330 0.775 20 0 BCADLO COC1C[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000894819748 583525155 /nfs/dbraw/zinc/52/51/55/583525155.db2.gz PYPDDOMNRQYQRS-QWRGUYRKSA-N 1 2 245.294 0.951 20 0 BCADLO CNc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc[nH+]1 ZINC000894822486 583525476 /nfs/dbraw/zinc/52/54/76/583525476.db2.gz SKKXKOUOKXAHAM-YGOYTEALSA-N 1 2 234.303 0.868 20 0 BCADLO CNc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]cn1 ZINC000894822486 583525478 /nfs/dbraw/zinc/52/54/78/583525478.db2.gz SKKXKOUOKXAHAM-YGOYTEALSA-N 1 2 234.303 0.868 20 0 BCADLO CC1(O)C[NH+](Cc2cnn(CCF)c2)C1 ZINC000894831178 583528069 /nfs/dbraw/zinc/52/80/69/583528069.db2.gz RSCPRDJXWDWDST-UHFFFAOYSA-N 1 2 213.256 0.419 20 0 BCADLO CCc1onc(C)c1C[NH+]1CC(O)(COC)C1 ZINC000894840984 583529763 /nfs/dbraw/zinc/52/97/63/583529763.db2.gz UFFFCBYRBYNJQA-UHFFFAOYSA-N 1 2 240.303 0.739 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](CO)C2)[nH+]cn1 ZINC000894867357 583538274 /nfs/dbraw/zinc/53/82/74/583538274.db2.gz LQKVGTLIPUMCJD-DTORHVGOSA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 ZINC000894867357 583538275 /nfs/dbraw/zinc/53/82/75/583538275.db2.gz LQKVGTLIPUMCJD-DTORHVGOSA-N 1 2 222.292 0.725 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2ncncc2C1 ZINC000880593783 583548038 /nfs/dbraw/zinc/54/80/38/583548038.db2.gz IQUHXLAUUOKBPL-VIFPVBQESA-N 1 2 234.303 0.311 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2ncncc2C1 ZINC000880593783 583548039 /nfs/dbraw/zinc/54/80/39/583548039.db2.gz IQUHXLAUUOKBPL-VIFPVBQESA-N 1 2 234.303 0.311 20 0 BCADLO CC(C)c1c[nH]c(CN2CCC[C@@H]2C(N)=O)[nH+]1 ZINC000894907555 583554101 /nfs/dbraw/zinc/55/41/01/583554101.db2.gz URPQQBOMEZMVPA-SNVBAGLBSA-N 1 2 236.319 0.983 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCSCC1 ZINC000894971741 583561263 /nfs/dbraw/zinc/56/12/63/583561263.db2.gz GHHYDRBRDPUGLA-NSHDSACASA-N 1 2 247.360 0.643 20 0 BCADLO CCC[C@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000894975171 583561821 /nfs/dbraw/zinc/56/18/21/583561821.db2.gz LPQKQVUFLFJXRQ-GXSJLCMTSA-N 1 2 217.309 0.936 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)[nH]1 ZINC000895008403 583569535 /nfs/dbraw/zinc/56/95/35/583569535.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)[nH]1 ZINC000895008403 583569536 /nfs/dbraw/zinc/56/95/36/583569536.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)n1 ZINC000895008403 583569537 /nfs/dbraw/zinc/56/95/37/583569537.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)n1 ZINC000895008403 583569538 /nfs/dbraw/zinc/56/95/38/583569538.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)n[nH]1 ZINC000895008403 583569539 /nfs/dbraw/zinc/56/95/39/583569539.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)n[nH]1 ZINC000895008403 583569540 /nfs/dbraw/zinc/56/95/40/583569540.db2.gz XBAOJCFCFBHQIW-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)[nH]1 ZINC000895008402 583569899 /nfs/dbraw/zinc/56/98/99/583569899.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)[nH]1 ZINC000895008402 583569900 /nfs/dbraw/zinc/56/99/00/583569900.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)n1 ZINC000895008402 583569901 /nfs/dbraw/zinc/56/99/01/583569901.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)n1 ZINC000895008402 583569902 /nfs/dbraw/zinc/56/99/02/583569902.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)n[nH]1 ZINC000895008402 583569903 /nfs/dbraw/zinc/56/99/03/583569903.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)n[nH]1 ZINC000895008402 583569904 /nfs/dbraw/zinc/56/99/04/583569904.db2.gz XBAOJCFCFBHQIW-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cnn(C)c1 ZINC000895113288 583591242 /nfs/dbraw/zinc/59/12/42/583591242.db2.gz IGVOTZAGCOOEQI-IVZWLZJFSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cnn(C)c1 ZINC000895113288 583591244 /nfs/dbraw/zinc/59/12/44/583591244.db2.gz IGVOTZAGCOOEQI-IVZWLZJFSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cnn(C)c1 ZINC000895113290 583591308 /nfs/dbraw/zinc/59/13/08/583591308.db2.gz IGVOTZAGCOOEQI-LPEHRKFASA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cnn(C)c1 ZINC000895113290 583591310 /nfs/dbraw/zinc/59/13/10/583591310.db2.gz IGVOTZAGCOOEQI-LPEHRKFASA-N 1 2 236.319 0.517 20 0 BCADLO CCON(C)C(=O)C[NH2+][C@@H](C)c1cnccn1 ZINC000895142641 583603510 /nfs/dbraw/zinc/60/35/10/583603510.db2.gz SVAPBYOKGOQLNB-VIFPVBQESA-N 1 2 238.291 0.537 20 0 BCADLO CCO[N-]C(=O)C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000895148473 583605615 /nfs/dbraw/zinc/60/56/15/583605615.db2.gz IWHTUEHNEYSLCS-UHFFFAOYSA-N 1 2 238.291 0.130 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3C[C@]3(O)C2)nc[nH+]1 ZINC000895151408 583606654 /nfs/dbraw/zinc/60/66/54/583606654.db2.gz GFRYCJWVSNBUBA-KWQFWETISA-N 1 2 220.276 0.114 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3C[C@]3(O)C2)[nH+]cn1 ZINC000895151408 583606656 /nfs/dbraw/zinc/60/66/56/583606656.db2.gz GFRYCJWVSNBUBA-KWQFWETISA-N 1 2 220.276 0.114 20 0 BCADLO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1n[nH]c(=O)n1C ZINC000895177762 583616214 /nfs/dbraw/zinc/61/62/14/583616214.db2.gz XJCBMCWCEZNMRS-FXQIFTODSA-N 1 2 242.348 0.923 20 0 BCADLO C[C@H]([NH2+]Cc1ccncc1)C1N=NC(=O)N1C ZINC000895185282 583618916 /nfs/dbraw/zinc/61/89/16/583618916.db2.gz YJZFSCSERLWXEM-QMMMGPOBSA-N 1 2 233.275 0.767 20 0 BCADLO C[C@H](O)c1cccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000895200530 583624192 /nfs/dbraw/zinc/62/41/92/583624192.db2.gz RIYZDBUNQYNJBN-MPKXCIJOSA-N 1 2 238.287 0.431 20 0 BCADLO C[C@@H](O)c1cccc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000895200528 583624196 /nfs/dbraw/zinc/62/41/96/583624196.db2.gz RIYZDBUNQYNJBN-DEKFOEGESA-N 1 2 238.287 0.431 20 0 BCADLO COC/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942596 588924284 /nfs/dbraw/zinc/92/42/84/588924284.db2.gz CPETVFDQGOOCRH-PBKGFPTLSA-N 1 2 235.287 0.517 20 0 BCADLO Cn1ccnc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895315436 583648191 /nfs/dbraw/zinc/64/81/91/583648191.db2.gz HCMZKYATCXKZDD-VIFPVBQESA-N 1 2 222.292 0.034 20 0 BCADLO OCC1(C[N@@H+]2Cc3ccncc3C2)COC1 ZINC000857876163 588919082 /nfs/dbraw/zinc/91/90/82/588919082.db2.gz MARNJIJJQYXLHB-UHFFFAOYSA-N 1 2 220.272 0.406 20 0 BCADLO OCC1(C[N@H+]2Cc3ccncc3C2)COC1 ZINC000857876163 588919084 /nfs/dbraw/zinc/91/90/84/588919084.db2.gz MARNJIJJQYXLHB-UHFFFAOYSA-N 1 2 220.272 0.406 20 0 BCADLO CNC(=O)CN(C)Cc1c(C)cc[nH+]c1N ZINC000895353592 583657443 /nfs/dbraw/zinc/65/74/43/583657443.db2.gz WHWFVNIGMQBXDT-UHFFFAOYSA-N 1 2 222.292 0.150 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cnc[nH]1 ZINC000895391556 583664050 /nfs/dbraw/zinc/66/40/50/583664050.db2.gz ZDBMXIXKVREBBB-UHFFFAOYSA-N 1 2 226.280 0.299 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895397108 583664539 /nfs/dbraw/zinc/66/45/39/583664539.db2.gz DNNRWXRNTFQYNV-JGVFFNPUSA-N 1 2 203.307 0.371 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895397108 583664540 /nfs/dbraw/zinc/66/45/40/583664540.db2.gz DNNRWXRNTFQYNV-JGVFFNPUSA-N 1 2 203.307 0.371 20 0 BCADLO C[N@H+](C[C@H]1CCCOC1)C1CS(=O)(=O)C1 ZINC000895397422 583664739 /nfs/dbraw/zinc/66/47/39/583664739.db2.gz HVRXUHGERXJSDB-SECBINFHSA-N 1 2 233.333 0.142 20 0 BCADLO C[N@@H+](C[C@H]1CCCOC1)C1CS(=O)(=O)C1 ZINC000895397422 583664741 /nfs/dbraw/zinc/66/47/41/583664741.db2.gz HVRXUHGERXJSDB-SECBINFHSA-N 1 2 233.333 0.142 20 0 BCADLO C[C@@H]([NH2+]Cc1c[nH]cn1)[C@@H](O)C(F)(F)F ZINC000895444555 583674645 /nfs/dbraw/zinc/67/46/45/583674645.db2.gz NJKQAINRLNSLPU-IYSWYEEDSA-N 1 2 223.198 0.811 20 0 BCADLO CS/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888781 588921200 /nfs/dbraw/zinc/92/12/00/588921200.db2.gz DBGFIXUVIOYNLN-SGJFDWMWSA-N 1 2 223.301 0.801 20 0 BCADLO O=C(/C=C\C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890442 588921216 /nfs/dbraw/zinc/92/12/16/588921216.db2.gz VMTGPYXDIBUARL-XOULXFPDSA-N 1 2 217.272 0.890 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(F)nc1 ZINC000857889217 588921234 /nfs/dbraw/zinc/92/12/34/588921234.db2.gz IPJPFPALPHAQOJ-SECBINFHSA-N 1 2 246.245 0.772 20 0 BCADLO O=C(C[C@@H]1CCCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890288 588921274 /nfs/dbraw/zinc/92/12/74/588921274.db2.gz SUJYBWFOFZZETQ-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1cc[nH]c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886010 588921377 /nfs/dbraw/zinc/92/13/77/588921377.db2.gz RQKWNHZMMDIAEN-SECBINFHSA-N 1 2 230.271 0.874 20 0 BCADLO CCn1cc(C[NH2+]Cc2cnn[nH]2)c(C)n1 ZINC000895534043 583686109 /nfs/dbraw/zinc/68/61/09/583686109.db2.gz VVJSSEFYVRMVHD-UHFFFAOYSA-N 1 2 220.280 0.619 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)nc1 ZINC000895534532 583686147 /nfs/dbraw/zinc/68/61/47/583686147.db2.gz VFUOXEVXQAXOFJ-UHFFFAOYSA-N 1 2 219.248 0.498 20 0 BCADLO CC(C)=CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857892731 588921860 /nfs/dbraw/zinc/92/18/60/588921860.db2.gz FHXMQLPUEIHVBM-VIFPVBQESA-N 1 2 205.261 0.890 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000895654835 583701406 /nfs/dbraw/zinc/70/14/06/583701406.db2.gz UEFIOTBOLWEFJA-BXKDBHETSA-N 1 2 234.303 0.570 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000895654835 583701407 /nfs/dbraw/zinc/70/14/07/583701407.db2.gz UEFIOTBOLWEFJA-BXKDBHETSA-N 1 2 234.303 0.570 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000895656086 583701710 /nfs/dbraw/zinc/70/17/10/583701710.db2.gz YBMMFBNMVZSACL-KWQFWETISA-N 1 2 224.260 0.388 20 0 BCADLO COCc1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000895656086 583701712 /nfs/dbraw/zinc/70/17/12/583701712.db2.gz YBMMFBNMVZSACL-KWQFWETISA-N 1 2 224.260 0.388 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ccc(Cl)nn1)C2 ZINC000895655633 583701723 /nfs/dbraw/zinc/70/17/23/583701723.db2.gz WGGTZFHMDPCSMK-GMSGAONNSA-N 1 2 225.679 0.697 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Cl)nn1)C2 ZINC000895655633 583701724 /nfs/dbraw/zinc/70/17/24/583701724.db2.gz WGGTZFHMDPCSMK-GMSGAONNSA-N 1 2 225.679 0.697 20 0 BCADLO CCN(CCO)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895664348 583702771 /nfs/dbraw/zinc/70/27/71/583702771.db2.gz XSOITSUWZZQWSM-UHFFFAOYSA-N 1 2 239.319 0.767 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(F)ncc1F)C2 ZINC000895651628 583703122 /nfs/dbraw/zinc/70/31/22/583703122.db2.gz AQUNWVWDYNFWQO-KWQFWETISA-N 1 2 226.226 0.926 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(F)ncc1F)C2 ZINC000895651628 583703124 /nfs/dbraw/zinc/70/31/24/583703124.db2.gz AQUNWVWDYNFWQO-KWQFWETISA-N 1 2 226.226 0.926 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CSC[C@H]1C)[C@@H](C)O ZINC000895743635 583715658 /nfs/dbraw/zinc/71/56/58/583715658.db2.gz JCXXMOLJCCRYQN-BGZDPUMWSA-N 1 2 233.333 0.250 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CS[C@@H](C)C1)[C@@H](C)O ZINC000895743309 583715780 /nfs/dbraw/zinc/71/57/80/583715780.db2.gz FXSPJQXFZAHVCE-KDXUFGMBSA-N 1 2 233.333 0.392 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000895758988 583721210 /nfs/dbraw/zinc/72/12/10/583721210.db2.gz RYQWUGDYJPYDTK-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO CC(F)(F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946589 588924702 /nfs/dbraw/zinc/92/47/02/588924702.db2.gz YGCSDQNJBYEICN-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO CC[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808595 583729359 /nfs/dbraw/zinc/72/93/59/583729359.db2.gz KTDIXTDNBHPYAL-UTLUCORTSA-N 1 2 213.277 0.849 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857947493 588925032 /nfs/dbraw/zinc/92/50/32/588925032.db2.gz SNTBBZNWSWYAID-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO CO[C@@H](C[NH2+][C@H]1CCOC1=O)C1CCOCC1 ZINC000895807486 583732634 /nfs/dbraw/zinc/73/26/34/583732634.db2.gz POTRZYDLGRRUCU-QWRGUYRKSA-N 1 2 243.303 0.333 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000895811902 583733459 /nfs/dbraw/zinc/73/34/59/583733459.db2.gz KMIZGUQXVPSOIE-BDAKNGLRSA-N 1 2 211.261 0.603 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983433 588925573 /nfs/dbraw/zinc/92/55/73/588925573.db2.gz RRRBXCONMJCLTJ-WCBMZHEXSA-N 1 2 237.303 0.851 20 0 BCADLO C/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965151 588925590 /nfs/dbraw/zinc/92/55/90/588925590.db2.gz GBGMPFJVAJINLE-HPOULIHZSA-N 1 2 205.261 0.890 20 0 BCADLO C[C@H]1C[C@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000727701994 583740338 /nfs/dbraw/zinc/74/03/38/583740338.db2.gz NQXVXDJYMJZIKH-VHSXEESVSA-N 1 2 243.376 0.191 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NOCC2CCC2)c1 ZINC000895898209 583740964 /nfs/dbraw/zinc/74/09/64/583740964.db2.gz XPVQAYHBEJFEDD-UHFFFAOYSA-N 1 2 238.291 0.951 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857974039 588926174 /nfs/dbraw/zinc/92/61/74/588926174.db2.gz DTKLFWUZSKDETJ-RTBKNWGFSA-N 1 2 235.287 0.869 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCNC(=O)CC23CCC3)n1 ZINC000895927379 583748862 /nfs/dbraw/zinc/74/88/62/583748862.db2.gz QDASDAPFWBBLPT-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCNC(=O)CC23CCC3)n1 ZINC000895927379 583748863 /nfs/dbraw/zinc/74/88/63/583748863.db2.gz QDASDAPFWBBLPT-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO Cc1nc(C)c(C)c(N2CCOCN2)[nH+]1 ZINC000895921154 583749315 /nfs/dbraw/zinc/74/93/15/583749315.db2.gz BVNQYTKJTTZETB-UHFFFAOYSA-N 1 2 208.265 0.701 20 0 BCADLO O=C(CC1(O)CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857976742 588926288 /nfs/dbraw/zinc/92/62/88/588926288.db2.gz KWPQMBCEWDCLQG-VIFPVBQESA-N 1 2 235.287 0.749 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976652 588926322 /nfs/dbraw/zinc/92/63/22/588926322.db2.gz IYTVQKSSHOMOGX-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976984 588926622 /nfs/dbraw/zinc/92/66/22/588926622.db2.gz PRVXKZCWVLFPDL-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000895969263 583755346 /nfs/dbraw/zinc/75/53/46/583755346.db2.gz JSPVTHCIHJQZHT-LLVKDONJSA-N 1 2 210.277 0.830 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000895969263 583755348 /nfs/dbraw/zinc/75/53/48/583755348.db2.gz JSPVTHCIHJQZHT-LLVKDONJSA-N 1 2 210.277 0.830 20 0 BCADLO Cc1ccnc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857978218 588926826 /nfs/dbraw/zinc/92/68/26/588926826.db2.gz CQYDXKPGYXEHJZ-SECBINFHSA-N 1 2 243.270 0.856 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976983 588926857 /nfs/dbraw/zinc/92/68/57/588926857.db2.gz PRVXKZCWVLFPDL-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO CC(C)(O)CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980032 588927378 /nfs/dbraw/zinc/92/73/78/588927378.db2.gz IHPOJNQLBASGFK-SECBINFHSA-N 1 2 237.303 0.995 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979151 588927389 /nfs/dbraw/zinc/92/73/89/588927389.db2.gz NMJUZZAEXFBAFV-WCBMZHEXSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979861 588927447 /nfs/dbraw/zinc/92/74/47/588927447.db2.gz GEDZQUSWTHHANV-AEJSXWLSSA-N 1 2 235.287 0.869 20 0 BCADLO Cn1cc(Cc2noc(C3([NH+](C)C)CC3)n2)cn1 ZINC000896048081 583765651 /nfs/dbraw/zinc/76/56/51/583765651.db2.gz GGPOSULOTOZTQM-UHFFFAOYSA-N 1 2 247.302 0.945 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857978889 588927562 /nfs/dbraw/zinc/92/75/62/588927562.db2.gz RNYAYHPJUVUQDG-GWCFXTLKSA-N 1 2 249.314 0.995 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978984 588927634 /nfs/dbraw/zinc/92/76/34/588927634.db2.gz RSPXPCKFZLXMBH-PSASIEDQSA-N 1 2 234.259 0.609 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccnnc1 ZINC000857981712 588927778 /nfs/dbraw/zinc/92/77/78/588927778.db2.gz ATUDZYMLXGZLJE-SECBINFHSA-N 1 2 229.243 0.548 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983049 588927989 /nfs/dbraw/zinc/92/79/89/588927989.db2.gz VJVPBBXQAJEPIV-DTWKUNHWSA-N 1 2 223.276 0.463 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983716 588928377 /nfs/dbraw/zinc/92/83/77/588928377.db2.gz CLYBMQRSKOSCEK-VIFPVBQESA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCOC1 ZINC000857983911 588928515 /nfs/dbraw/zinc/92/85/15/588928515.db2.gz FMCIPYGSMMHKDR-VHSXEESVSA-N 1 2 235.287 0.871 20 0 BCADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)n1cccn1 ZINC000857985030 588928765 /nfs/dbraw/zinc/92/87/65/588928765.db2.gz GUBSXUNNQFYOPD-ZJUUUORDSA-N 1 2 245.286 0.902 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984205 588928901 /nfs/dbraw/zinc/92/89/01/588928901.db2.gz HOZMYQUTJZTRKQ-SCZZXKLOSA-N 1 2 223.276 0.869 20 0 BCADLO O=Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857983718 588928932 /nfs/dbraw/zinc/92/89/32/588928932.db2.gz CNHYHTVRJRHNAA-VIFPVBQESA-N 1 2 244.254 0.899 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985272 588928936 /nfs/dbraw/zinc/92/89/36/588928936.db2.gz OGNNIBGVCYZMMR-SFYZADRCSA-N 1 2 209.249 0.479 20 0 BCADLO CONC(=O)CNc1cc[nH+]c(C)c1Cl ZINC000896195056 583783112 /nfs/dbraw/zinc/78/31/12/583783112.db2.gz WCHGERSGLBUJHU-UHFFFAOYSA-N 1 2 229.667 0.555 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857986984 588929120 /nfs/dbraw/zinc/92/91/20/588929120.db2.gz QMOZZVNABYKESF-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=COCC1 ZINC000857987396 588929149 /nfs/dbraw/zinc/92/91/49/588929149.db2.gz XYLSRKRRKHIUFB-VIFPVBQESA-N 1 2 219.244 0.748 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=COCC1 ZINC000857987395 588929248 /nfs/dbraw/zinc/92/92/48/588929248.db2.gz XYLSRKRRKHIUFB-SECBINFHSA-N 1 2 219.244 0.748 20 0 BCADLO CO[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCSC1 ZINC000896306241 583789867 /nfs/dbraw/zinc/78/98/67/583789867.db2.gz VCEXJTQXZAJDCD-SNVBAGLBSA-N 1 2 241.316 0.548 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCn2c[nH+]cc21 ZINC000857989701 588929762 /nfs/dbraw/zinc/92/97/62/588929762.db2.gz SWYAJXAHOYPWOS-VIFPVBQESA-N 1 2 231.259 0.341 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000335916767 583794158 /nfs/dbraw/zinc/79/41/58/583794158.db2.gz YUTNDIMCAOAKGE-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000335916767 583794160 /nfs/dbraw/zinc/79/41/60/583794160.db2.gz YUTNDIMCAOAKGE-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO Cc1cc(N2C3CCC2(C(N)=O)CC3)nc[nH+]1 ZINC000896387908 583798887 /nfs/dbraw/zinc/79/88/87/583798887.db2.gz LQWROSANJCTWQH-UHFFFAOYSA-N 1 2 232.287 0.772 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857943520 588924563 /nfs/dbraw/zinc/92/45/63/588924563.db2.gz FDYYXYCWTNKXPO-QMMMGPOBSA-N 1 2 247.258 0.319 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582169 583816367 /nfs/dbraw/zinc/81/63/67/583816367.db2.gz UYBLZXWQGHQEBB-GHMZBOCLSA-N 1 2 227.352 0.393 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896582169 583816369 /nfs/dbraw/zinc/81/63/69/583816369.db2.gz UYBLZXWQGHQEBB-GHMZBOCLSA-N 1 2 227.352 0.393 20 0 BCADLO CCn1ncc(CNCc2[nH]cc(C)[nH+]2)n1 ZINC000858206053 588938475 /nfs/dbraw/zinc/93/84/75/588938475.db2.gz GGBJNVMGTHIYOV-UHFFFAOYSA-N 1 2 220.280 0.619 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000896638441 583819626 /nfs/dbraw/zinc/81/96/26/583819626.db2.gz BPBRIZXSCXNFHR-SCZZXKLOSA-N 1 2 238.291 0.254 20 0 BCADLO Cn1nnc2c1C[C@@H](Nc1cc[nH+]cc1F)CC2 ZINC000896674777 583822599 /nfs/dbraw/zinc/82/25/99/583822599.db2.gz RCJIBECZTZPXRM-QMMMGPOBSA-N 1 2 247.277 0.741 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(-c2ccnn2C)no1 ZINC000896853082 583839826 /nfs/dbraw/zinc/83/98/26/583839826.db2.gz KMGJMIWTNXDHFN-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CCC1CC1 ZINC000896927904 583859430 /nfs/dbraw/zinc/85/94/30/583859430.db2.gz VIIJVQJWMWCYOL-MRVPVSSYSA-N 1 2 200.282 0.832 20 0 BCADLO Cc1[nH+]ccn1CCCC(=O)Nc1nn[nH]n1 ZINC000728207413 583851490 /nfs/dbraw/zinc/85/14/90/583851490.db2.gz PVOKYIALQLUZBE-UHFFFAOYSA-N 1 2 235.251 0.124 20 0 BCADLO CONC(=O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000896923023 583856810 /nfs/dbraw/zinc/85/68/10/583856810.db2.gz AJUHCMUOBJEEEG-LSJOCFKGSA-N 1 2 240.303 0.211 20 0 BCADLO Cc1nc(F)ccc1C[NH2+]Cc1cnn[nH]1 ZINC000858196982 588938615 /nfs/dbraw/zinc/93/86/15/588938615.db2.gz BHDHSOFMSLUEHY-UHFFFAOYSA-N 1 2 221.239 0.937 20 0 BCADLO CONC(=O)C[NH2+]CC1(C(C)C)CC1 ZINC000896924625 583857546 /nfs/dbraw/zinc/85/75/46/583857546.db2.gz NWUVKWYUGLKDSV-UHFFFAOYSA-N 1 2 200.282 0.690 20 0 BCADLO Cc1nc(CNC(=O)CCn2cc[nH+]c2)[nH]c1C ZINC000896924483 583857822 /nfs/dbraw/zinc/85/78/22/583857822.db2.gz YTBDISLZKZGXGG-UHFFFAOYSA-N 1 2 247.302 0.930 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000896925090 583857993 /nfs/dbraw/zinc/85/79/93/583857993.db2.gz UALBAPQMLGLFSH-ILWJIGKKSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000896925795 583858118 /nfs/dbraw/zinc/85/81/18/583858118.db2.gz ADCDLCQWHQJDMW-NKWVEPMBSA-N 1 2 204.295 0.148 20 0 BCADLO CONC(=O)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000896927706 583859120 /nfs/dbraw/zinc/85/91/20/583859120.db2.gz UXYKBLZCPXYIAQ-MRVPVSSYSA-N 1 2 202.298 0.936 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000896927889 583859285 /nfs/dbraw/zinc/85/92/85/583859285.db2.gz UYACKFAWZMCMMI-QMMMGPOBSA-N 1 2 200.282 0.832 20 0 BCADLO CCOCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896927578 583859437 /nfs/dbraw/zinc/85/94/37/583859437.db2.gz KOQSVCJKLUTCRD-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000896928250 583859461 /nfs/dbraw/zinc/85/94/61/583859461.db2.gz YJWNLNNWAHUGHB-DTWKUNHWSA-N 1 2 232.349 0.784 20 0 BCADLO CCc1nc(N2CC3(C2)CCNC(=O)O3)cc[nH+]1 ZINC000897000433 583869075 /nfs/dbraw/zinc/86/90/75/583869075.db2.gz XWZAFWLCFYNMED-UHFFFAOYSA-N 1 2 248.286 0.728 20 0 BCADLO OC[C@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000897119500 583882641 /nfs/dbraw/zinc/88/26/41/583882641.db2.gz AWDDZAUYRQPWBO-SECBINFHSA-N 1 2 231.259 0.233 20 0 BCADLO CO[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000728544288 583896527 /nfs/dbraw/zinc/89/65/27/583896527.db2.gz BLXSGTDTPPKNGG-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)O)c[nH+]1 ZINC000897309119 583913967 /nfs/dbraw/zinc/91/39/67/583913967.db2.gz VQOODGQWFKODNL-SNVBAGLBSA-N 1 2 239.319 0.766 20 0 BCADLO COCC[NH+]1CCN(c2nccnc2F)CC1 ZINC000858331236 588946202 /nfs/dbraw/zinc/94/62/02/588946202.db2.gz TUZHSWIARNXTDP-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO CC(C)C1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866935141 583940449 /nfs/dbraw/zinc/94/04/49/583940449.db2.gz TZKJXMBCSVKHFM-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000897363050 583941484 /nfs/dbraw/zinc/94/14/84/583941484.db2.gz GWFFXGQJECZJRV-ONGXEEELSA-N 1 2 237.303 0.504 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@H](O)[C@H](F)C2)c1Cl ZINC000897377345 583946214 /nfs/dbraw/zinc/94/62/14/583946214.db2.gz DYUSJSGOLQLGMN-RITPCOANSA-N 1 2 246.673 0.621 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@H](O)[C@H](F)C2)c1Cl ZINC000897377345 583946215 /nfs/dbraw/zinc/94/62/15/583946215.db2.gz DYUSJSGOLQLGMN-RITPCOANSA-N 1 2 246.673 0.621 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000858319612 588945104 /nfs/dbraw/zinc/94/51/04/588945104.db2.gz NZPVZWKOWFPOOK-QMMMGPOBSA-N 1 2 226.280 0.216 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1[nH]ncc1C ZINC000858322900 588945359 /nfs/dbraw/zinc/94/53/59/588945359.db2.gz NLGXRPUTKPMRNH-MRVPVSSYSA-N 1 2 226.280 0.216 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000858322900 588945360 /nfs/dbraw/zinc/94/53/60/588945360.db2.gz NLGXRPUTKPMRNH-MRVPVSSYSA-N 1 2 226.280 0.216 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cnccn1 ZINC000858223710 588939242 /nfs/dbraw/zinc/93/92/42/588939242.db2.gz YKDBFJFYIGKOEU-UHFFFAOYSA-N 1 2 238.291 0.366 20 0 BCADLO Cc1nc(N[C@H]2COC[C@H]2C2CC2)nc(N)[nH+]1 ZINC000897450400 583985362 /nfs/dbraw/zinc/98/53/62/583985362.db2.gz IWMHKTRKSKYBBI-IUCAKERBSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H]2COC[C@H]2C2CC2)[nH+]1 ZINC000897450400 583985364 /nfs/dbraw/zinc/98/53/64/583985364.db2.gz IWMHKTRKSKYBBI-IUCAKERBSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nc(N[C@@H]2COC[C@H]2C2CC2)nc(N)[nH+]1 ZINC000897450399 583985400 /nfs/dbraw/zinc/98/54/00/583985400.db2.gz IWMHKTRKSKYBBI-DTWKUNHWSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2COC[C@H]2C2CC2)[nH+]1 ZINC000897450399 583985402 /nfs/dbraw/zinc/98/54/02/583985402.db2.gz IWMHKTRKSKYBBI-DTWKUNHWSA-N 1 2 235.291 0.599 20 0 BCADLO COC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729445049 584014429 /nfs/dbraw/zinc/01/44/29/584014429.db2.gz MWKABKILMAZLKT-BDAKNGLRSA-N 1 2 216.281 0.452 20 0 BCADLO COC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729445052 584014439 /nfs/dbraw/zinc/01/44/39/584014439.db2.gz MWKABKILMAZLKT-IUCAKERBSA-N 1 2 216.281 0.452 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C ZINC000897676730 584036217 /nfs/dbraw/zinc/03/62/17/584036217.db2.gz WUZTYEZWHBGDRL-RDDDGLTNSA-N 1 2 209.293 0.839 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C ZINC000897676730 584036218 /nfs/dbraw/zinc/03/62/18/584036218.db2.gz WUZTYEZWHBGDRL-RDDDGLTNSA-N 1 2 209.293 0.839 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000897729839 584045814 /nfs/dbraw/zinc/04/58/14/584045814.db2.gz GBXRTKQGIWYQQN-UMNHJUIQSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ncoc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897785186 584047946 /nfs/dbraw/zinc/04/79/46/584047946.db2.gz YHGBQJODSJTHCK-UHFFFAOYSA-N 1 2 235.287 0.790 20 0 BCADLO O=C1CCCN1C1C[NH+](CC2(F)CC2)C1 ZINC000897784203 584048028 /nfs/dbraw/zinc/04/80/28/584048028.db2.gz QVNZROSDPIVSJK-UHFFFAOYSA-N 1 2 212.268 0.795 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000897795475 584049356 /nfs/dbraw/zinc/04/93/56/584049356.db2.gz GRYBHZOIZWQOIR-KWQFWETISA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000897795475 584049358 /nfs/dbraw/zinc/04/93/58/584049358.db2.gz GRYBHZOIZWQOIR-KWQFWETISA-N 1 2 235.287 0.719 20 0 BCADLO CCC[C@@H]([NH2+]C1CCS(=O)CC1)C(=O)OC ZINC000897833249 584052255 /nfs/dbraw/zinc/05/22/55/584052255.db2.gz BQSLUOVYIRUWEU-IAZHFHGHSA-N 1 2 247.360 0.829 20 0 BCADLO CCC[C@@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000897833635 584052464 /nfs/dbraw/zinc/05/24/64/584052464.db2.gz RITOGFAVMRFWNM-RKDXNWHRSA-N 1 2 203.282 0.689 20 0 BCADLO C[C@]1([NH2+]Cc2nccn2C2CC2)CCNC1=O ZINC000897866607 584055226 /nfs/dbraw/zinc/05/52/26/584055226.db2.gz DNPGWLITTFVPBW-LBPRGKRZSA-N 1 2 234.303 0.586 20 0 BCADLO O=C1NC(=O)C2(C[NH+](Cc3ccccc3F)C2)N1 ZINC000897907516 584059666 /nfs/dbraw/zinc/05/96/66/584059666.db2.gz DZHDYFWKABGTMN-UHFFFAOYSA-N 1 2 249.245 0.220 20 0 BCADLO Cc1ccc(C[NH+]2CC3(C2)NC(=O)NC3=O)cc1 ZINC000897908479 584060166 /nfs/dbraw/zinc/06/01/66/584060166.db2.gz VSKNNMBVOTZBRT-UHFFFAOYSA-N 1 2 245.282 0.389 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1cc[nH]n1 ZINC000898028595 584076405 /nfs/dbraw/zinc/07/64/05/584076405.db2.gz SPTAHJARGPGXRO-UHFFFAOYSA-N 1 2 221.264 0.442 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1ccn(C)n1 ZINC000898027914 584076915 /nfs/dbraw/zinc/07/69/15/584076915.db2.gz CZCMOFYRBXGTJQ-UHFFFAOYSA-N 1 2 235.291 0.452 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000898025769 584076961 /nfs/dbraw/zinc/07/69/61/584076961.db2.gz PSMUQURRAVKDRJ-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO COc1nn(C)cc1CNCc1[nH]cc(C)[nH+]1 ZINC000898025769 584076962 /nfs/dbraw/zinc/07/69/62/584076962.db2.gz PSMUQURRAVKDRJ-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC000898188157 584094075 /nfs/dbraw/zinc/09/40/75/584094075.db2.gz KQLTUKKJZZOGSH-DTWKUNHWSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898188587 584094464 /nfs/dbraw/zinc/09/44/64/584094464.db2.gz NYTMKPYCIWMKPU-ONGXEEELSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898188587 584094465 /nfs/dbraw/zinc/09/44/65/584094465.db2.gz NYTMKPYCIWMKPU-ONGXEEELSA-N 1 2 227.283 0.633 20 0 BCADLO O=c1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c[nH]1 ZINC000898188946 584094661 /nfs/dbraw/zinc/09/46/61/584094661.db2.gz PZVQPAIHIIHGGD-ZJUUUORDSA-N 1 2 226.251 0.692 20 0 BCADLO O=c1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c[nH]1 ZINC000898188946 584094662 /nfs/dbraw/zinc/09/46/62/584094662.db2.gz PZVQPAIHIIHGGD-ZJUUUORDSA-N 1 2 226.251 0.692 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cnn3c2CCC3)C[C@@H]1F ZINC000898188746 584094716 /nfs/dbraw/zinc/09/47/16/584094716.db2.gz ORRCTFCSRWFYRJ-CMPLNLGQSA-N 1 2 239.294 0.734 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cnn3c2CCC3)C[C@@H]1F ZINC000898188746 584094718 /nfs/dbraw/zinc/09/47/18/584094718.db2.gz ORRCTFCSRWFYRJ-CMPLNLGQSA-N 1 2 239.294 0.734 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898194448 584096320 /nfs/dbraw/zinc/09/63/20/584096320.db2.gz ZGMKJUUQUGIKNV-QWRGUYRKSA-N 1 2 229.251 0.677 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898194448 584096321 /nfs/dbraw/zinc/09/63/21/584096321.db2.gz ZGMKJUUQUGIKNV-QWRGUYRKSA-N 1 2 229.251 0.677 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000252885565 584124446 /nfs/dbraw/zinc/12/44/46/584124446.db2.gz YCCWHXFYBWACAY-GUBZILKMSA-N 1 2 223.276 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000252885565 584124447 /nfs/dbraw/zinc/12/44/47/584124447.db2.gz YCCWHXFYBWACAY-GUBZILKMSA-N 1 2 223.276 0.581 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898492576 584139756 /nfs/dbraw/zinc/13/97/56/584139756.db2.gz WEHYMAORUAQPHC-LLVKDONJSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898492576 584139759 /nfs/dbraw/zinc/13/97/59/584139759.db2.gz WEHYMAORUAQPHC-LLVKDONJSA-N 1 2 246.326 0.962 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccn[nH]1 ZINC000898490911 584139764 /nfs/dbraw/zinc/13/97/64/584139764.db2.gz WFJZISGVGBRWST-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccn[nH]1 ZINC000898490911 584139766 /nfs/dbraw/zinc/13/97/66/584139766.db2.gz WFJZISGVGBRWST-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494479 584139940 /nfs/dbraw/zinc/13/99/40/584139940.db2.gz LNRVSLPCOMUCGL-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494479 584139941 /nfs/dbraw/zinc/13/99/41/584139941.db2.gz LNRVSLPCOMUCGL-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000898615182 584146830 /nfs/dbraw/zinc/14/68/30/584146830.db2.gz CHFHXMHNSUKFCN-NXEZZACHSA-N 1 2 234.303 0.972 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@H](CF)C2)c1 ZINC000898615612 584147058 /nfs/dbraw/zinc/14/70/58/584147058.db2.gz NKUBRAJXCPWDIY-SECBINFHSA-N 1 2 240.282 0.921 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCCF)c1 ZINC000898628659 584147130 /nfs/dbraw/zinc/14/71/30/584147130.db2.gz VIHQCSIAETXJPL-UHFFFAOYSA-N 1 2 214.244 0.579 20 0 BCADLO CCC[C@H](O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629450 584147272 /nfs/dbraw/zinc/14/72/72/584147272.db2.gz KZIJTCSJLFAMTI-JTQLQIEISA-N 1 2 240.307 0.380 20 0 BCADLO CCOCCN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898626030 584147865 /nfs/dbraw/zinc/14/78/65/584147865.db2.gz BUYRMRZVDGWDIA-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CC23CC3)c1 ZINC000898619892 584147977 /nfs/dbraw/zinc/14/79/77/584147977.db2.gz RFLITDOIBSEQHR-SECBINFHSA-N 1 2 220.276 0.772 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NOC1CCC1 ZINC000858510126 588961686 /nfs/dbraw/zinc/96/16/86/588961686.db2.gz ZYTHHZIRZGQVRZ-SECBINFHSA-N 1 2 243.307 0.100 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NOC1CCC1 ZINC000858510126 588961687 /nfs/dbraw/zinc/96/16/87/588961687.db2.gz ZYTHHZIRZGQVRZ-SECBINFHSA-N 1 2 243.307 0.100 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000898747282 584156580 /nfs/dbraw/zinc/15/65/80/584156580.db2.gz PVAFXESPNSVCMW-VIFPVBQESA-N 1 2 235.291 0.678 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000898747282 584156582 /nfs/dbraw/zinc/15/65/82/584156582.db2.gz PVAFXESPNSVCMW-VIFPVBQESA-N 1 2 235.291 0.678 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000898790349 584160009 /nfs/dbraw/zinc/16/00/09/584160009.db2.gz DJAWIYNCXNFLLY-ONGXEEELSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000898790349 584160010 /nfs/dbraw/zinc/16/00/10/584160010.db2.gz DJAWIYNCXNFLLY-ONGXEEELSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)=CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884376 584163756 /nfs/dbraw/zinc/16/37/56/584163756.db2.gz PYAFBDWALJZSBQ-VIFPVBQESA-N 1 2 223.276 0.536 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCC1CC1 ZINC000898883768 584163942 /nfs/dbraw/zinc/16/39/42/584163942.db2.gz KPMSNBDUZGQJQI-SNVBAGLBSA-N 1 2 237.303 0.760 20 0 BCADLO Cc1occc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882009 584164567 /nfs/dbraw/zinc/16/45/67/584164567.db2.gz RWCLHIJCIJQYAE-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898881287 584164692 /nfs/dbraw/zinc/16/46/92/584164692.db2.gz KBRACGMWITZYRI-HRDYMLBCSA-N 1 2 223.276 0.226 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(C)(F)F ZINC000898891748 584164732 /nfs/dbraw/zinc/16/47/32/584164732.db2.gz LAHHOQWPZMXSET-ZCFIWIBFSA-N 1 2 233.218 0.225 20 0 BCADLO Cc1cc[nH]c1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898895558 584165031 /nfs/dbraw/zinc/16/50/31/584165031.db2.gz PTQBKDCIBSHEHY-VIFPVBQESA-N 1 2 248.286 0.520 20 0 BCADLO CC(C)(CNC(=O)c1ccncn1)n1cc[nH+]c1 ZINC000898906267 584165329 /nfs/dbraw/zinc/16/53/29/584165329.db2.gz KPXBWRVGSCVLPP-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C2CC2)CC1 ZINC000898896484 584165548 /nfs/dbraw/zinc/16/55/48/584165548.db2.gz QIJYCCFJUPARLL-JTQLQIEISA-N 1 2 249.314 0.760 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898893052 584165555 /nfs/dbraw/zinc/16/55/55/584165555.db2.gz XWHJURAFZPVVCF-OPRDCNLKSA-N 1 2 237.303 0.616 20 0 BCADLO O=C(NC/C=C/Cl)N[C@H]1Cc2c[nH+]cn2C1 ZINC000899033158 584171377 /nfs/dbraw/zinc/17/13/77/584171377.db2.gz SIGZTIOSHCQZOA-CMLYIYFCSA-N 1 2 240.694 0.860 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC000899138597 584177407 /nfs/dbraw/zinc/17/74/07/584177407.db2.gz BZECYMVODIMUGI-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC000899138597 584177409 /nfs/dbraw/zinc/17/74/09/584177409.db2.gz BZECYMVODIMUGI-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000899246864 584187917 /nfs/dbraw/zinc/18/79/17/584187917.db2.gz ZUGABRDIFUDAHE-NRUUGDAUSA-N 1 2 247.298 0.351 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000858578793 588968277 /nfs/dbraw/zinc/96/82/77/588968277.db2.gz LWQOZMCAPPXSDK-BDAKNGLRSA-N 1 2 240.307 0.479 20 0 BCADLO COCC[N@H+](C)Cc1cn(-c2ncccn2)nn1 ZINC000899745770 584235668 /nfs/dbraw/zinc/23/56/68/584235668.db2.gz VDLHJBFSOWWEKH-UHFFFAOYSA-N 1 2 248.290 0.136 20 0 BCADLO COCC[N@@H+](C)Cc1cn(-c2ncccn2)nn1 ZINC000899745770 584235670 /nfs/dbraw/zinc/23/56/70/584235670.db2.gz VDLHJBFSOWWEKH-UHFFFAOYSA-N 1 2 248.290 0.136 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000899744252 584237071 /nfs/dbraw/zinc/23/70/71/584237071.db2.gz KOBOKQRNGQUMJF-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000899744252 584237072 /nfs/dbraw/zinc/23/70/72/584237072.db2.gz KOBOKQRNGQUMJF-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO CCn1cc(C[N@H+](C)C[C@H]2COCCO2)nn1 ZINC000899882323 584246415 /nfs/dbraw/zinc/24/64/15/584246415.db2.gz IUEDVXYWRQZPSX-NSHDSACASA-N 1 2 240.307 0.145 20 0 BCADLO CCn1cc(C[N@@H+](C)C[C@H]2COCCO2)nn1 ZINC000899882323 584246418 /nfs/dbraw/zinc/24/64/18/584246418.db2.gz IUEDVXYWRQZPSX-NSHDSACASA-N 1 2 240.307 0.145 20 0 BCADLO O[C@@H](C[NH+]1CC(OC(F)F)C1)C1(O)CCC1 ZINC000899883522 584247016 /nfs/dbraw/zinc/24/70/16/584247016.db2.gz OJYZYIDNVQQEDU-QMMMGPOBSA-N 1 2 237.246 0.186 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](C)CC2)n1C ZINC000899903935 584250884 /nfs/dbraw/zinc/25/08/84/584250884.db2.gz DHSPXRDUUYAWCK-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO COCCN(CCOC)C(=O)Cc1c[nH+]c[nH]1 ZINC000899922105 584256592 /nfs/dbraw/zinc/25/65/92/584256592.db2.gz LKWUDHGESBAUPT-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NCC(=O)OC ZINC000899935324 584257590 /nfs/dbraw/zinc/25/75/90/584257590.db2.gz IXBBVGPIQINESI-UHFFFAOYSA-N 1 2 237.259 0.335 20 0 BCADLO COC[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000899934619 584257755 /nfs/dbraw/zinc/25/77/55/584257755.db2.gz BXFBHOIWLDPKOI-SECBINFHSA-N 1 2 223.276 0.645 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000858586866 588969734 /nfs/dbraw/zinc/96/97/34/588969734.db2.gz LWQOZMCAPPXSDK-DTWKUNHWSA-N 1 2 240.307 0.479 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000900048444 584268457 /nfs/dbraw/zinc/26/84/57/584268457.db2.gz FGNUIMBNZMTVMJ-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000900048443 584268725 /nfs/dbraw/zinc/26/87/25/584268725.db2.gz FGNUIMBNZMTVMJ-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO CC[C@@H](CO)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900144133 584277509 /nfs/dbraw/zinc/27/75/09/584277509.db2.gz AUMMWMHSOIYSGC-VIFPVBQESA-N 1 2 237.303 0.932 20 0 BCADLO CC[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000900147470 584279177 /nfs/dbraw/zinc/27/91/77/584279177.db2.gz NZVDLQBRLKUBLV-SECBINFHSA-N 1 2 223.276 0.381 20 0 BCADLO CC[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000900147471 584279199 /nfs/dbraw/zinc/27/91/99/584279199.db2.gz NZVDLQBRLKUBLV-VIFPVBQESA-N 1 2 223.276 0.381 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)NC3(CCC3)C2=O)c1 ZINC000900158552 584280295 /nfs/dbraw/zinc/28/02/95/584280295.db2.gz VNHICYWWKLIEKG-UHFFFAOYSA-N 1 2 234.259 0.395 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C=CCC1 ZINC000858609642 588971110 /nfs/dbraw/zinc/97/11/10/588971110.db2.gz ZVKDWEZNRQCFNE-GHMZBOCLSA-N 1 2 239.319 0.335 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C=CCC1 ZINC000858609642 588971111 /nfs/dbraw/zinc/97/11/11/588971111.db2.gz ZVKDWEZNRQCFNE-GHMZBOCLSA-N 1 2 239.319 0.335 20 0 BCADLO CCN1CC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158172 584280699 /nfs/dbraw/zinc/28/06/99/584280699.db2.gz QMEXKCQAXIOHNX-UHFFFAOYSA-N 1 2 222.248 0.204 20 0 BCADLO CCONC(=O)CNc1cc[nH+]c(CO)c1 ZINC000858607334 588971138 /nfs/dbraw/zinc/97/11/38/588971138.db2.gz ZBLLQRXHAQMLFJ-UHFFFAOYSA-N 1 2 225.248 0.054 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C=CCC1 ZINC000858609646 588971197 /nfs/dbraw/zinc/97/11/97/588971197.db2.gz ZVKDWEZNRQCFNE-WDEREUQCSA-N 1 2 239.319 0.335 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C=CCC1 ZINC000858609646 588971198 /nfs/dbraw/zinc/97/11/98/588971198.db2.gz ZVKDWEZNRQCFNE-WDEREUQCSA-N 1 2 239.319 0.335 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000900216386 584286502 /nfs/dbraw/zinc/28/65/02/584286502.db2.gz UNSBMEKPOIVJES-VWYCJHECSA-N 1 2 239.319 0.795 20 0 BCADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Cn1cccn1 ZINC000900224899 584288938 /nfs/dbraw/zinc/28/89/38/584288938.db2.gz IWNJUWWWZUCTSJ-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)Cn1cccn1 ZINC000900224899 584288939 /nfs/dbraw/zinc/28/89/39/584288939.db2.gz IWNJUWWWZUCTSJ-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1CCOCC1 ZINC000900281083 584291351 /nfs/dbraw/zinc/29/13/51/584291351.db2.gz FRJZXJUBSPGUBV-UHFFFAOYSA-N 1 2 235.287 0.789 20 0 BCADLO Cc1nnc(NC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900310436 584293943 /nfs/dbraw/zinc/29/39/43/584293943.db2.gz PJNKWHIEEOULLX-UHFFFAOYSA-N 1 2 223.261 0.751 20 0 BCADLO Cc1nnc(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900310436 584293945 /nfs/dbraw/zinc/29/39/45/584293945.db2.gz PJNKWHIEEOULLX-UHFFFAOYSA-N 1 2 223.261 0.751 20 0 BCADLO COC[C@@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000900387786 584298206 /nfs/dbraw/zinc/29/82/06/584298206.db2.gz GBHWOLBOCLMUSG-JTQLQIEISA-N 1 2 237.303 0.892 20 0 BCADLO CCN(C[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900375295 584299104 /nfs/dbraw/zinc/29/91/04/584299104.db2.gz VZLYUFLPSUPKQR-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO COC(=O)CCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900398170 584302317 /nfs/dbraw/zinc/30/23/17/584302317.db2.gz WMHVMLPXHVEVRN-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO COC(=O)CCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900398170 584302319 /nfs/dbraw/zinc/30/23/19/584302319.db2.gz WMHVMLPXHVEVRN-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CC(C)(C)OCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900430479 584308502 /nfs/dbraw/zinc/30/85/02/584308502.db2.gz AZDONSBPHCTCPC-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC(C)(C)OCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900430479 584308504 /nfs/dbraw/zinc/30/85/04/584308504.db2.gz AZDONSBPHCTCPC-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900433067 584309584 /nfs/dbraw/zinc/30/95/84/584309584.db2.gz VJUSBKHLSZAILP-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO COCCCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900433067 584309586 /nfs/dbraw/zinc/30/95/86/584309586.db2.gz VJUSBKHLSZAILP-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO C/C(Cl)=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000900485646 584316520 /nfs/dbraw/zinc/31/65/20/584316520.db2.gz RSMVTJLLCKBHTC-PCYYEKQGSA-N 1 2 246.738 0.966 20 0 BCADLO C/C(Cl)=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000900485646 584316523 /nfs/dbraw/zinc/31/65/23/584316523.db2.gz RSMVTJLLCKBHTC-PCYYEKQGSA-N 1 2 246.738 0.966 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900543933 584324430 /nfs/dbraw/zinc/32/44/30/584324430.db2.gz ZDJFUYSIRXXKFG-MRVPVSSYSA-N 1 2 247.302 0.872 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900543933 584324431 /nfs/dbraw/zinc/32/44/31/584324431.db2.gz ZDJFUYSIRXXKFG-MRVPVSSYSA-N 1 2 247.302 0.872 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900563074 584324859 /nfs/dbraw/zinc/32/48/59/584324859.db2.gz ONYQCHHWYVZBMN-WWQCOOJYSA-N 1 2 237.303 0.754 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCOC1 ZINC000900602352 584330270 /nfs/dbraw/zinc/33/02/70/584330270.db2.gz QHGXFOZTEUHQKX-MRVPVSSYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCCOC1 ZINC000900602352 584330272 /nfs/dbraw/zinc/33/02/72/584330272.db2.gz QHGXFOZTEUHQKX-MRVPVSSYSA-N 1 2 209.249 0.247 20 0 BCADLO C/C(=C/C(=O)NC1CCC1)C[NH+]1CCOCC1 ZINC000900615591 584332346 /nfs/dbraw/zinc/33/23/46/584332346.db2.gz BMKKGQDAWADROQ-LUAWRHEFSA-N 1 2 238.331 0.934 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900647833 584335211 /nfs/dbraw/zinc/33/52/11/584335211.db2.gz SYKNKYHFFSAVBH-LWTINBJPSA-N 1 2 237.303 0.786 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646696 584335263 /nfs/dbraw/zinc/33/52/63/584335263.db2.gz HZMWZWLJIYPHQB-UFUPEUMYSA-N 1 2 209.249 0.005 20 0 BCADLO CC1CC(Cn2cc([C@H]3COCC[NH2+]3)nn2)C1 ZINC000900654062 584336195 /nfs/dbraw/zinc/33/61/95/584336195.db2.gz WSTMGVZYPCLSQY-RTYFJBAXSA-N 1 2 236.319 0.985 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000900658658 584337087 /nfs/dbraw/zinc/33/70/87/584337087.db2.gz IJDJHBSOZSURNF-OLKPEBQYSA-N 1 2 245.754 0.491 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000900658658 584337088 /nfs/dbraw/zinc/33/70/88/584337088.db2.gz IJDJHBSOZSURNF-OLKPEBQYSA-N 1 2 245.754 0.491 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000900658625 584337095 /nfs/dbraw/zinc/33/70/95/584337095.db2.gz IJDJHBSOZSURNF-ABRRARGCSA-N 1 2 245.754 0.491 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000900658625 584337096 /nfs/dbraw/zinc/33/70/96/584337096.db2.gz IJDJHBSOZSURNF-ABRRARGCSA-N 1 2 245.754 0.491 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000900664182 584337808 /nfs/dbraw/zinc/33/78/08/584337808.db2.gz BHHKPONZVMSIGX-WBSSQXGSSA-N 1 2 223.276 0.743 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000900695096 584338791 /nfs/dbraw/zinc/33/87/91/584338791.db2.gz LFDCPAVPTHGGGT-SRMRHOMVSA-N 1 2 237.303 0.717 20 0 BCADLO COC(=O)[C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900696518 584339087 /nfs/dbraw/zinc/33/90/87/584339087.db2.gz TWWLJRRRJFBAPQ-MRVPVSSYSA-N 1 2 239.275 0.220 20 0 BCADLO CC[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900730293 584346711 /nfs/dbraw/zinc/34/67/11/584346711.db2.gz FKRHALZWSXHTAN-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781519 584350236 /nfs/dbraw/zinc/35/02/36/584350236.db2.gz SGXUBFFGKMWOBR-ORAHPGNNSA-N 1 2 223.276 0.743 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781519 584350238 /nfs/dbraw/zinc/35/02/38/584350238.db2.gz SGXUBFFGKMWOBR-ORAHPGNNSA-N 1 2 223.276 0.743 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]2CCO[C@@H]21 ZINC000900817378 584354108 /nfs/dbraw/zinc/35/41/08/584354108.db2.gz MZOMVURVXYOPAM-WCQGTBRESA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H]2CCO[C@@H]21 ZINC000900817378 584354110 /nfs/dbraw/zinc/35/41/10/584354110.db2.gz MZOMVURVXYOPAM-WCQGTBRESA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]2CCO[C@H]21 ZINC000900817379 584354281 /nfs/dbraw/zinc/35/42/81/584354281.db2.gz MZOMVURVXYOPAM-YUSALJHKSA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H]2CCO[C@H]21 ZINC000900817379 584354282 /nfs/dbraw/zinc/35/42/82/584354282.db2.gz MZOMVURVXYOPAM-YUSALJHKSA-N 1 2 249.314 0.882 20 0 BCADLO CCC(O)(CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900856634 584358014 /nfs/dbraw/zinc/35/80/14/584358014.db2.gz PMJYCKFUYQIQBB-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CCC(O)(CC)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900856634 584358016 /nfs/dbraw/zinc/35/80/16/584358016.db2.gz PMJYCKFUYQIQBB-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)OCCF ZINC000858883500 588981881 /nfs/dbraw/zinc/98/18/81/588981881.db2.gz PKARSNJARCXJJV-UHFFFAOYSA-N 1 2 215.228 0.958 20 0 BCADLO CON(C)C(=O)[C@@H](C)Nc1cccc[nH+]1 ZINC000858842003 588978012 /nfs/dbraw/zinc/97/80/12/588978012.db2.gz LUCSISLDWSYKAH-MRVPVSSYSA-N 1 2 209.249 0.902 20 0 BCADLO CO[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900955795 584370596 /nfs/dbraw/zinc/37/05/96/584370596.db2.gz STBNVCGMWUVXDU-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H](O)C(C)C)[nH+]c1C ZINC000901001502 584373264 /nfs/dbraw/zinc/37/32/64/584373264.db2.gz XAWRYDLAIUEPIT-JTQLQIEISA-N 1 2 225.292 0.660 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H](O)C(C)C)[nH+]c1C ZINC000901001503 584373285 /nfs/dbraw/zinc/37/32/85/584373285.db2.gz XAWRYDLAIUEPIT-SNVBAGLBSA-N 1 2 225.292 0.660 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2COCC[C@@H]21 ZINC000901016367 584374271 /nfs/dbraw/zinc/37/42/71/584374271.db2.gz CHFULICQRQHMQT-JQWIXIFHSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000901016368 584374496 /nfs/dbraw/zinc/37/44/96/584374496.db2.gz CHFULICQRQHMQT-PWSUYJOCSA-N 1 2 249.314 0.980 20 0 BCADLO CC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000900993255 584375061 /nfs/dbraw/zinc/37/50/61/584375061.db2.gz FUUDZRLVXCMVSW-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CC1(CNC(=O)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000900993255 584375062 /nfs/dbraw/zinc/37/50/62/584375062.db2.gz FUUDZRLVXCMVSW-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COCCOCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999198 584375118 /nfs/dbraw/zinc/37/51/18/584375118.db2.gz YRWVNDFKJFCQGD-UHFFFAOYSA-N 1 2 241.291 0.306 20 0 BCADLO Cc1[nH]c(CNC(=O)C2=COCC2)[nH+]c1C ZINC000900998014 584375128 /nfs/dbraw/zinc/37/51/28/584375128.db2.gz QRUVXBAEBHQWHP-UHFFFAOYSA-N 1 2 221.260 0.947 20 0 BCADLO CO[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000900995164 584375401 /nfs/dbraw/zinc/37/54/01/584375401.db2.gz VKIFAFXATOZSHX-NXEZZACHSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1(C)C ZINC000900995164 584375402 /nfs/dbraw/zinc/37/54/02/584375402.db2.gz VKIFAFXATOZSHX-NXEZZACHSA-N 1 2 237.303 0.882 20 0 BCADLO CS[C@@H](CO)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901094286 584384350 /nfs/dbraw/zinc/38/43/50/584384350.db2.gz CKEPZVOWHZHZJJ-CBAPKCEASA-N 1 2 243.332 0.181 20 0 BCADLO CS[C@@H](CO)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901094286 584384352 /nfs/dbraw/zinc/38/43/52/584384352.db2.gz CKEPZVOWHZHZJJ-CBAPKCEASA-N 1 2 243.332 0.181 20 0 BCADLO CC[C@H](C[C@@H](C)CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901103812 584388848 /nfs/dbraw/zinc/38/88/48/584388848.db2.gz WHXQNMQXTPRVBU-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C[C@@H](C)CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901103812 584388849 /nfs/dbraw/zinc/38/88/49/584388849.db2.gz WHXQNMQXTPRVBU-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000901131141 584388860 /nfs/dbraw/zinc/38/88/60/584388860.db2.gz KETVBHJKZPKVPF-DTORHVGOSA-N 1 2 235.287 0.685 20 0 BCADLO C[C@H](O)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901191082 584392841 /nfs/dbraw/zinc/39/28/41/584392841.db2.gz ZFCFBHMMOREZIP-GXSJLCMTSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901191085 584392987 /nfs/dbraw/zinc/39/29/87/584392987.db2.gz ZFCFBHMMOREZIP-ONGXEEELSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC12CCC2 ZINC000901171478 584395011 /nfs/dbraw/zinc/39/50/11/584395011.db2.gz ITNOFXQVGYCJMS-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC[C@H](O)CC1 ZINC000901191327 584396358 /nfs/dbraw/zinc/39/63/58/584396358.db2.gz QNXQPCPPKZPYNL-XYPYZODXSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)OCCF ZINC000858874854 588980555 /nfs/dbraw/zinc/98/05/55/588980555.db2.gz AUXVGFNRYLBIQX-UHFFFAOYSA-N 1 2 215.228 0.969 20 0 BCADLO CCC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901235382 584404759 /nfs/dbraw/zinc/40/47/59/584404759.db2.gz DAZWLIDWUXKETN-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000901284644 584421348 /nfs/dbraw/zinc/42/13/48/584421348.db2.gz HDDCJDRBGNZZRT-ZJUUUORDSA-N 1 2 235.287 0.333 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H](CO)C1CC1 ZINC000901293811 584423371 /nfs/dbraw/zinc/42/33/71/584423371.db2.gz ANLPJDIIRYUXFC-JTQLQIEISA-N 1 2 235.287 0.381 20 0 BCADLO C[C@H](O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901338575 584426971 /nfs/dbraw/zinc/42/69/71/584426971.db2.gz XAGLRSXSMIEZGS-GXSJLCMTSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2ccncc21 ZINC000901348191 584430943 /nfs/dbraw/zinc/43/09/43/584430943.db2.gz LIUGHGZLGRIPOH-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N1CCc2ccncc21 ZINC000901348191 584430945 /nfs/dbraw/zinc/43/09/45/584430945.db2.gz LIUGHGZLGRIPOH-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO c1snnc1-c1cc([C@@H]2COCC[NH2+]2)on1 ZINC000901404228 584439696 /nfs/dbraw/zinc/43/96/96/584439696.db2.gz FDWARVKVXXLIIX-ZETCQYMHSA-N 1 2 238.272 0.854 20 0 BCADLO O=C1OCCN1C[NH+]1CCSCC1 ZINC000902054661 584518594 /nfs/dbraw/zinc/51/85/94/584518594.db2.gz ADSGCLWIZYPSBJ-UHFFFAOYSA-N 1 2 202.279 0.445 20 0 BCADLO Cc1nc(=NCc2[nH]c(C)c(C)[nH+]2)n(C)[nH]1 ZINC000902065364 584522328 /nfs/dbraw/zinc/52/23/28/584522328.db2.gz GIKRCROBKLOSPX-UHFFFAOYSA-N 1 2 220.280 0.497 20 0 BCADLO CCn1c[nH+]cc1CNc1cncc(CO)n1 ZINC000902101917 584523348 /nfs/dbraw/zinc/52/33/48/584523348.db2.gz AUGGNMGYZVXPJT-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCOC2=O)C[C@H](C)O1 ZINC000902127809 584528924 /nfs/dbraw/zinc/52/89/24/584528924.db2.gz XJTGFLOZXMVYKK-UWVGGRQHSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCOC2=O)C[C@H](C)O1 ZINC000902127809 584528926 /nfs/dbraw/zinc/52/89/26/584528926.db2.gz XJTGFLOZXMVYKK-UWVGGRQHSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCOC2=O)C[C@@H](C)O1 ZINC000902127812 584528942 /nfs/dbraw/zinc/52/89/42/584528942.db2.gz XJTGFLOZXMVYKK-ZJUUUORDSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCOC2=O)C[C@@H](C)O1 ZINC000902127812 584528944 /nfs/dbraw/zinc/52/89/44/584528944.db2.gz XJTGFLOZXMVYKK-ZJUUUORDSA-N 1 2 228.292 0.895 20 0 BCADLO CCn1cc(C[N@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cn1 ZINC000902130485 584529637 /nfs/dbraw/zinc/52/96/37/584529637.db2.gz HNPJTCPAPUAXGV-RYUDHWBXSA-N 1 2 248.330 0.771 20 0 BCADLO CCn1cc(C[N@@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cn1 ZINC000902130485 584529638 /nfs/dbraw/zinc/52/96/38/584529638.db2.gz HNPJTCPAPUAXGV-RYUDHWBXSA-N 1 2 248.330 0.771 20 0 BCADLO C[C@@H]1CNC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000902155804 584532025 /nfs/dbraw/zinc/53/20/25/584532025.db2.gz ZXJRYMPAYVAPSI-MRVPVSSYSA-N 1 2 236.275 0.151 20 0 BCADLO CCOCC[N@H+](C)CN1CCOC1=O ZINC000902211590 584535083 /nfs/dbraw/zinc/53/50/83/584535083.db2.gz YWRKCEOVZJWRPC-UHFFFAOYSA-N 1 2 202.254 0.364 20 0 BCADLO CCOCC[N@@H+](C)CN1CCOC1=O ZINC000902211590 584535086 /nfs/dbraw/zinc/53/50/86/584535086.db2.gz YWRKCEOVZJWRPC-UHFFFAOYSA-N 1 2 202.254 0.364 20 0 BCADLO C[N@H+](CCc1cnccn1)CN1CCOC1=O ZINC000902210488 584538867 /nfs/dbraw/zinc/53/88/67/584538867.db2.gz VREKEIHIOPEJRU-UHFFFAOYSA-N 1 2 236.275 0.361 20 0 BCADLO C[N@@H+](CCc1cnccn1)CN1CCOC1=O ZINC000902210488 584538868 /nfs/dbraw/zinc/53/88/68/584538868.db2.gz VREKEIHIOPEJRU-UHFFFAOYSA-N 1 2 236.275 0.361 20 0 BCADLO Cc1[nH]c(CNc2cnc(CO)cn2)[nH+]c1C ZINC000902216045 584538976 /nfs/dbraw/zinc/53/89/76/584538976.db2.gz BUEMCMKNXDFVKJ-UHFFFAOYSA-N 1 2 233.275 0.921 20 0 BCADLO CN(C)c1ccc(Cn2cncn2)c[nH+]1 ZINC000902256486 584544397 /nfs/dbraw/zinc/54/43/97/584544397.db2.gz QKJQMZFLGHUXNV-UHFFFAOYSA-N 1 2 203.249 0.787 20 0 BCADLO C[C@H]1C(=O)N(CCCc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000902274077 584550180 /nfs/dbraw/zinc/55/01/80/584550180.db2.gz SOFQTGGSCXEKLN-AOOOYVTPSA-N 1 2 249.314 0.994 20 0 BCADLO COCC[C@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000902277240 584550587 /nfs/dbraw/zinc/55/05/87/584550587.db2.gz JGWPUGXNNCYICY-MNOVXSKESA-N 1 2 244.310 0.873 20 0 BCADLO COCC[C@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000902277240 584550589 /nfs/dbraw/zinc/55/05/89/584550589.db2.gz JGWPUGXNNCYICY-MNOVXSKESA-N 1 2 244.310 0.873 20 0 BCADLO CC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902302427 584553869 /nfs/dbraw/zinc/55/38/69/584553869.db2.gz OXEHAHRTMAWBQL-RHYQMDGZSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902302427 584553871 /nfs/dbraw/zinc/55/38/71/584553871.db2.gz OXEHAHRTMAWBQL-RHYQMDGZSA-N 1 2 238.331 0.922 20 0 BCADLO CCn1cnc(C[NH2+]C2CN(C(=O)OC)C2)c1 ZINC000902344480 584557590 /nfs/dbraw/zinc/55/75/90/584557590.db2.gz DIEXZDQPEICZCI-UHFFFAOYSA-N 1 2 238.291 0.443 20 0 BCADLO Nc1ccc(Cn2cc(CCO)cn2)c[nH+]1 ZINC000902330493 584562449 /nfs/dbraw/zinc/56/24/49/584562449.db2.gz SHTXUWVYUHMAIM-UHFFFAOYSA-N 1 2 218.260 0.443 20 0 BCADLO O=C1NCC[C@@H]1CCOc1cc[nH+]cc1 ZINC000902356884 584570148 /nfs/dbraw/zinc/57/01/48/584570148.db2.gz OVDMUFUNVJNJIY-SECBINFHSA-N 1 2 206.245 0.987 20 0 BCADLO CCn1c[nH+]c(CNCC(F)(F)CO)c1 ZINC000902485930 584625471 /nfs/dbraw/zinc/62/54/71/584625471.db2.gz BWQNWZJLCWTCAR-UHFFFAOYSA-N 1 2 219.235 0.620 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536260 584627877 /nfs/dbraw/zinc/62/78/77/584627877.db2.gz GNFIRVOQUWXFOH-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO O=C1CCN1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536260 584627880 /nfs/dbraw/zinc/62/78/80/584627880.db2.gz GNFIRVOQUWXFOH-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO NC(CO)=[NH+]OCCSC(F)(F)F ZINC000902534670 584634022 /nfs/dbraw/zinc/63/40/22/584634022.db2.gz FOQHBTZEBQZHEA-UHFFFAOYSA-N 1 2 218.200 0.730 20 0 BCADLO CCn1c[nH+]c2c1CCN(CN1CCCC1=O)C2 ZINC000902550914 584635342 /nfs/dbraw/zinc/63/53/42/584635342.db2.gz LYZJHRUVSLQQCH-UHFFFAOYSA-N 1 2 248.330 0.841 20 0 BCADLO O=C1c2ccccc2CN1C[N@H+]1CC[C@@H]1CO ZINC000902629693 584646496 /nfs/dbraw/zinc/64/64/96/584646496.db2.gz HXYRAHBJTIBPHO-LLVKDONJSA-N 1 2 232.283 0.667 20 0 BCADLO O=C1c2ccccc2CN1C[N@@H+]1CC[C@@H]1CO ZINC000902629693 584646497 /nfs/dbraw/zinc/64/64/97/584646497.db2.gz HXYRAHBJTIBPHO-LLVKDONJSA-N 1 2 232.283 0.667 20 0 BCADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CC[C@@H]1CO ZINC000902630924 584646941 /nfs/dbraw/zinc/64/69/41/584646941.db2.gz SMHOAKJESMAAQS-OLZOCXBDSA-N 1 2 246.310 0.984 20 0 BCADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CC[C@@H]1CO ZINC000902630924 584646942 /nfs/dbraw/zinc/64/69/42/584646942.db2.gz SMHOAKJESMAAQS-OLZOCXBDSA-N 1 2 246.310 0.984 20 0 BCADLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631687 584647196 /nfs/dbraw/zinc/64/71/96/584647196.db2.gz IJGOELRISDOQAU-WDEREUQCSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631687 584647198 /nfs/dbraw/zinc/64/71/98/584647198.db2.gz IJGOELRISDOQAU-WDEREUQCSA-N 1 2 226.320 0.515 20 0 BCADLO CC1(C)CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902632727 584647617 /nfs/dbraw/zinc/64/76/17/584647617.db2.gz OJRNWTOKNBYTNM-VIFPVBQESA-N 1 2 212.293 0.269 20 0 BCADLO CC1(C)CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902632727 584647618 /nfs/dbraw/zinc/64/76/18/584647618.db2.gz OJRNWTOKNBYTNM-VIFPVBQESA-N 1 2 212.293 0.269 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1cc(-c2ccncn2)cn1 ZINC000902633150 584647748 /nfs/dbraw/zinc/64/77/48/584647748.db2.gz SCNMKCBMYNKMKG-LLVKDONJSA-N 1 2 245.286 0.364 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1cc(-c2ccncn2)cn1 ZINC000902633150 584647750 /nfs/dbraw/zinc/64/77/50/584647750.db2.gz SCNMKCBMYNKMKG-LLVKDONJSA-N 1 2 245.286 0.364 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902632446 584647778 /nfs/dbraw/zinc/64/77/78/584647778.db2.gz NGYSUONFIQKOCD-ZJUUUORDSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902632446 584647780 /nfs/dbraw/zinc/64/77/80/584647780.db2.gz NGYSUONFIQKOCD-ZJUUUORDSA-N 1 2 212.293 0.269 20 0 BCADLO Cc1ccc2oc(=O)n(C[N@@H+]3CC[C@@H]3CO)c2c1 ZINC000902633379 584647806 /nfs/dbraw/zinc/64/78/06/584647806.db2.gz UODKWJVAYMKXJD-SNVBAGLBSA-N 1 2 248.282 0.927 20 0 BCADLO Cc1ccc2oc(=O)n(C[N@H+]3CC[C@@H]3CO)c2c1 ZINC000902633379 584647807 /nfs/dbraw/zinc/64/78/07/584647807.db2.gz UODKWJVAYMKXJD-SNVBAGLBSA-N 1 2 248.282 0.927 20 0 BCADLO Cc1ccc2oc(=O)n(C[N@@H+]3CC[C@H]3CO)c2c1 ZINC000902633378 584647915 /nfs/dbraw/zinc/64/79/15/584647915.db2.gz UODKWJVAYMKXJD-JTQLQIEISA-N 1 2 248.282 0.927 20 0 BCADLO Cc1ccc2oc(=O)n(C[N@H+]3CC[C@H]3CO)c2c1 ZINC000902633378 584647916 /nfs/dbraw/zinc/64/79/16/584647916.db2.gz UODKWJVAYMKXJD-JTQLQIEISA-N 1 2 248.282 0.927 20 0 BCADLO CC1(C)CCN(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902634874 584648217 /nfs/dbraw/zinc/64/82/17/584648217.db2.gz UODNELLKFVDGGJ-SECBINFHSA-N 1 2 212.293 0.269 20 0 BCADLO CC1(C)CCN(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902634874 584648218 /nfs/dbraw/zinc/64/82/18/584648218.db2.gz UODNELLKFVDGGJ-SECBINFHSA-N 1 2 212.293 0.269 20 0 BCADLO CCc1noc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000902661610 584651046 /nfs/dbraw/zinc/65/10/46/584651046.db2.gz PGCUYQYOENSICT-UHFFFAOYSA-N 1 2 247.258 0.526 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1cn(C)c[nH+]1 ZINC000902664065 584653009 /nfs/dbraw/zinc/65/30/09/584653009.db2.gz GWYAKPNUZRPNJR-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO CC(F)(F)C(=O)NCc1ccc[nH+]c1N ZINC000902687175 584656233 /nfs/dbraw/zinc/65/62/33/584656233.db2.gz WUDPXORPOZTLEC-UHFFFAOYSA-N 1 2 215.203 0.935 20 0 BCADLO Nc1[nH+]cccc1CNC(=O)N1CCCC1 ZINC000902689114 584656335 /nfs/dbraw/zinc/65/63/35/584656335.db2.gz RJNQNIAKNHGASG-UHFFFAOYSA-N 1 2 220.276 0.969 20 0 BCADLO CCn1cc(CO[NH+]=C(N)[C@@H]2CCCO2)nn1 ZINC000902738450 584662469 /nfs/dbraw/zinc/66/24/69/584662469.db2.gz GFOXEBWKUISETB-VIFPVBQESA-N 1 2 239.279 0.475 20 0 BCADLO O=C(CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000902778043 584669092 /nfs/dbraw/zinc/66/90/92/584669092.db2.gz ZECHLLINCPHJLI-UHFFFAOYSA-N 1 2 235.287 0.113 20 0 BCADLO O=C(CCO)NCCc1cn2ccccc2[nH+]1 ZINC000902791659 584672623 /nfs/dbraw/zinc/67/26/23/584672623.db2.gz ZFVOYOBMQDVVMC-UHFFFAOYSA-N 1 2 233.271 0.375 20 0 BCADLO O=C(CCO)NCc1cccnc1-n1cc[nH+]c1 ZINC000902812938 584677792 /nfs/dbraw/zinc/67/77/92/584677792.db2.gz LEMVZPSSORULJQ-UHFFFAOYSA-N 1 2 246.270 0.266 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)OC1COC1 ZINC000902923770 584697170 /nfs/dbraw/zinc/69/71/70/584697170.db2.gz OHLNHXCUIKUPHG-QMMMGPOBSA-N 1 2 237.259 0.323 20 0 BCADLO Cc1ccc(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000902934942 584700014 /nfs/dbraw/zinc/70/00/14/584700014.db2.gz SNGSWPRASOPBDH-LBPRGKRZSA-N 1 2 246.310 0.998 20 0 BCADLO Cc1ccc(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000902934942 584700015 /nfs/dbraw/zinc/70/00/15/584700015.db2.gz SNGSWPRASOPBDH-LBPRGKRZSA-N 1 2 246.310 0.998 20 0 BCADLO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902996483 584714505 /nfs/dbraw/zinc/71/45/05/584714505.db2.gz SFTPVXATFZLYSF-NXEZZACHSA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902996483 584714506 /nfs/dbraw/zinc/71/45/06/584714506.db2.gz SFTPVXATFZLYSF-NXEZZACHSA-N 1 2 235.324 0.855 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002944 584716159 /nfs/dbraw/zinc/71/61/59/584716159.db2.gz ILDHGQQBPUSWBR-VIFPVBQESA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002944 584716160 /nfs/dbraw/zinc/71/61/60/584716160.db2.gz ILDHGQQBPUSWBR-VIFPVBQESA-N 1 2 202.273 0.945 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)NC[C@@H]1CCCO1 ZINC000903002660 584716442 /nfs/dbraw/zinc/71/64/42/584716442.db2.gz DTJLQTIDGOWVOK-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NC[C@@H]1CCCO1 ZINC000903002660 584716444 /nfs/dbraw/zinc/71/64/44/584716444.db2.gz DTJLQTIDGOWVOK-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003126 584716492 /nfs/dbraw/zinc/71/64/92/584716492.db2.gz JVFWPMGQKBPBEC-SECBINFHSA-N 1 2 245.298 0.656 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003126 584716494 /nfs/dbraw/zinc/71/64/94/584716494.db2.gz JVFWPMGQKBPBEC-SECBINFHSA-N 1 2 245.298 0.656 20 0 BCADLO CCS(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC000903008596 584717248 /nfs/dbraw/zinc/71/72/48/584717248.db2.gz MGVBYCXGHDLSBF-UHFFFAOYSA-N 1 2 238.328 0.360 20 0 BCADLO Cn1c[nH+]c(CNC(=O)OC2COC2)c1 ZINC000903036413 584719511 /nfs/dbraw/zinc/71/95/11/584719511.db2.gz GVLAFFZJZHRSKW-UHFFFAOYSA-N 1 2 211.221 0.045 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000903297743 584743153 /nfs/dbraw/zinc/74/31/53/584743153.db2.gz WTOAJVOOBIGLPO-SZEHBUNVSA-N 1 2 241.291 0.833 20 0 BCADLO Nc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000904322339 584864509 /nfs/dbraw/zinc/86/45/09/584864509.db2.gz AOGOSZZKZHDCBE-NSHDSACASA-N 1 2 234.303 0.670 20 0 BCADLO Nc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000904322339 584864510 /nfs/dbraw/zinc/86/45/10/584864510.db2.gz AOGOSZZKZHDCBE-NSHDSACASA-N 1 2 234.303 0.670 20 0 BCADLO CCN1CCC[N@H+](Cc2ccc(N)nn2)CC1=O ZINC000904346261 584868542 /nfs/dbraw/zinc/86/85/42/584868542.db2.gz SESZLRIZIXKNQD-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccc(N)nn2)CC1=O ZINC000904346261 584868543 /nfs/dbraw/zinc/86/85/43/584868543.db2.gz SESZLRIZIXKNQD-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO c1cn(-c2ccccc2)c(C[NH2+][C@@H]2CNOC2)n1 ZINC000904423532 584880465 /nfs/dbraw/zinc/88/04/65/584880465.db2.gz BEHOHZCGYAOMFM-LLVKDONJSA-N 1 2 244.298 0.865 20 0 BCADLO c1cn(C2CC2)c(C[NH2+][C@H]2CNOC2)n1 ZINC000904423535 584880586 /nfs/dbraw/zinc/88/05/86/584880586.db2.gz BEXUZFRXMDQRGM-QMMMGPOBSA-N 1 2 208.265 0.211 20 0 BCADLO CCOC(=O)c1ccc(C[NH2+][C@@H]2CNOC2)o1 ZINC000904424922 584881051 /nfs/dbraw/zinc/88/10/51/584881051.db2.gz QNTBTXTWJCBERL-MRVPVSSYSA-N 1 2 240.259 0.449 20 0 BCADLO COC(=O)c1coc(C[NH2+][C@H]2CNOC2)c1 ZINC000904425603 584881377 /nfs/dbraw/zinc/88/13/77/584881377.db2.gz SOZXSECYTKZKHR-QMMMGPOBSA-N 1 2 226.232 0.059 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000826050344 584894264 /nfs/dbraw/zinc/89/42/64/584894264.db2.gz WBUQZNJAVPBQHW-VWYCJHECSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000826050344 584894266 /nfs/dbraw/zinc/89/42/66/584894266.db2.gz WBUQZNJAVPBQHW-VWYCJHECSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1C(=O)[O-] ZINC000826050342 584894269 /nfs/dbraw/zinc/89/42/69/584894269.db2.gz WBUQZNJAVPBQHW-MXWKQRLJSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1C(=O)[O-] ZINC000826050342 584894271 /nfs/dbraw/zinc/89/42/71/584894271.db2.gz WBUQZNJAVPBQHW-MXWKQRLJSA-N 1 2 241.335 0.669 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](CC[S@](C)=O)C2)n[nH]1 ZINC000828626654 584903749 /nfs/dbraw/zinc/90/37/49/584903749.db2.gz JQRHCFKLZACXRU-FVMDXXJSSA-N 1 2 242.348 0.281 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](CC[S@](C)=O)C2)n[nH]1 ZINC000828626654 584903750 /nfs/dbraw/zinc/90/37/50/584903750.db2.gz JQRHCFKLZACXRU-FVMDXXJSSA-N 1 2 242.348 0.281 20 0 BCADLO CCC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000753746418 584905916 /nfs/dbraw/zinc/90/59/16/584905916.db2.gz QKHBHVBVTLCBIL-SECBINFHSA-N 1 2 230.333 0.258 20 0 BCADLO CCC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000753746418 584905917 /nfs/dbraw/zinc/90/59/17/584905917.db2.gz QKHBHVBVTLCBIL-SECBINFHSA-N 1 2 230.333 0.258 20 0 BCADLO C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831732717 584910928 /nfs/dbraw/zinc/91/09/28/584910928.db2.gz NNMPRZUUXRMSKS-ZJUUUORDSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1C(=O)N(Cc2[nH+]ccn2C)C(=O)N1C1CC1 ZINC000761228281 584911237 /nfs/dbraw/zinc/91/12/37/584911237.db2.gz AAZXIKUOLHTSAQ-MRVPVSSYSA-N 1 2 248.286 0.735 20 0 BCADLO CCC[C@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000832643065 584911872 /nfs/dbraw/zinc/91/18/72/584911872.db2.gz NGHSVPRNLGJLDZ-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CN(C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741145685 584911921 /nfs/dbraw/zinc/91/19/21/584911921.db2.gz ZOYVHBKQIPDPAG-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CN(C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741145685 584911922 /nfs/dbraw/zinc/91/19/22/584911922.db2.gz ZOYVHBKQIPDPAG-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)[C@H]1CCN(C2CC2)C1 ZINC000732213786 584934781 /nfs/dbraw/zinc/93/47/81/584934781.db2.gz HPTIESLNDQDAEY-NSHDSACASA-N 1 2 246.376 0.200 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)[C@H]1CCN(C2CC2)C1 ZINC000732213786 584934782 /nfs/dbraw/zinc/93/47/82/584934782.db2.gz HPTIESLNDQDAEY-NSHDSACASA-N 1 2 246.376 0.200 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000768342398 584949848 /nfs/dbraw/zinc/94/98/48/584949848.db2.gz FKHXLMVDIICHCS-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO O=C(C1=COCC1)N1CC(n2cc[nH+]c2)C1 ZINC000734129603 584959040 /nfs/dbraw/zinc/95/90/40/584959040.db2.gz XNVHSTGQLZVUBH-UHFFFAOYSA-N 1 2 219.244 0.571 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C2CC2)CCO1 ZINC000734271798 584959684 /nfs/dbraw/zinc/95/96/84/584959684.db2.gz MJLMAEHBHFNNBE-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C2CC2)CCO1 ZINC000734271798 584959685 /nfs/dbraw/zinc/95/96/85/584959685.db2.gz MJLMAEHBHFNNBE-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](C[C@@H](C)O)C1 ZINC000840767256 584966581 /nfs/dbraw/zinc/96/65/81/584966581.db2.gz SZVDMKWKCYNIAL-MRVPVSSYSA-N 1 2 216.281 0.186 20 0 BCADLO Cc1cc(N2CCCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000734835371 584969125 /nfs/dbraw/zinc/96/91/25/584969125.db2.gz UPTBAGULQWOKKH-UHFFFAOYSA-N 1 2 246.314 0.989 20 0 BCADLO CCn1nncc1C(=O)OCc1c[nH+]cn1C ZINC000815968246 584975074 /nfs/dbraw/zinc/97/50/74/584975074.db2.gz ZTZZVEGGZPCWDJ-UHFFFAOYSA-N 1 2 235.247 0.389 20 0 BCADLO CC1(NC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000735629425 584980219 /nfs/dbraw/zinc/98/02/19/584980219.db2.gz LFUJBHLWUJCYAT-UHFFFAOYSA-N 1 2 243.376 0.335 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCS(=O)(=O)CC ZINC000735671196 584980600 /nfs/dbraw/zinc/98/06/00/584980600.db2.gz BFPAQOGKCBTTGM-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CCS(=O)(=O)CC ZINC000735671196 584980601 /nfs/dbraw/zinc/98/06/01/584980601.db2.gz BFPAQOGKCBTTGM-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)CCS(N)(=O)=O ZINC000735882898 584983437 /nfs/dbraw/zinc/98/34/37/584983437.db2.gz AJUFSEXQQRUHBC-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)CCS(N)(=O)=O ZINC000735882898 584983438 /nfs/dbraw/zinc/98/34/38/584983438.db2.gz AJUFSEXQQRUHBC-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736220186 584992244 /nfs/dbraw/zinc/99/22/44/584992244.db2.gz ZFLIWHVWHCILCT-QWRGUYRKSA-N 1 2 242.319 0.114 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736220186 584992245 /nfs/dbraw/zinc/99/22/45/584992245.db2.gz ZFLIWHVWHCILCT-QWRGUYRKSA-N 1 2 242.319 0.114 20 0 BCADLO Cc1nonc1C(=O)NCCCCn1cc[nH+]c1 ZINC000736671712 585009334 /nfs/dbraw/zinc/00/93/34/585009334.db2.gz CCORZMQJKYJXOU-UHFFFAOYSA-N 1 2 249.274 0.785 20 0 BCADLO C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000820149567 585010783 /nfs/dbraw/zinc/01/07/83/585010783.db2.gz YXVXJDCXTHQJOG-QMMMGPOBSA-N 1 2 219.244 0.897 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2ccncc2)c1 ZINC000890116881 585024191 /nfs/dbraw/zinc/02/41/91/585024191.db2.gz CGWWDBVJLZMHFH-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO CCn1ncc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000838839526 585073735 /nfs/dbraw/zinc/07/37/35/585073735.db2.gz FJMIFKROILIPAW-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000838839526 585073736 /nfs/dbraw/zinc/07/37/36/585073736.db2.gz FJMIFKROILIPAW-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncc(C[N@H+](C)CCn2cccn2)n1 ZINC000838837208 585073822 /nfs/dbraw/zinc/07/38/22/585073822.db2.gz NYUYFOLYEIVQDS-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO CCn1ncc(C[N@@H+](C)CCn2cccn2)n1 ZINC000838837208 585073823 /nfs/dbraw/zinc/07/38/23/585073823.db2.gz NYUYFOLYEIVQDS-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000838910093 585077815 /nfs/dbraw/zinc/07/78/15/585077815.db2.gz ZQBUUBFOMCHIOW-ZYHUDNBSSA-N 1 2 227.304 0.689 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cn[nH]n1 ZINC000838897799 585079666 /nfs/dbraw/zinc/07/96/66/585079666.db2.gz MYYAHAJQQDJRTK-SNVBAGLBSA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cn[nH]n1 ZINC000838897799 585079667 /nfs/dbraw/zinc/07/96/67/585079667.db2.gz MYYAHAJQQDJRTK-SNVBAGLBSA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838897799 585079668 /nfs/dbraw/zinc/07/96/68/585079668.db2.gz MYYAHAJQQDJRTK-SNVBAGLBSA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838897799 585079669 /nfs/dbraw/zinc/07/96/69/585079669.db2.gz MYYAHAJQQDJRTK-SNVBAGLBSA-N 1 2 238.291 0.722 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@@H](O)C1CC1 ZINC000838958359 585080710 /nfs/dbraw/zinc/08/07/10/585080710.db2.gz JNHXGHFNNRWHCZ-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@@H](O)C1CC1 ZINC000838958359 585080711 /nfs/dbraw/zinc/08/07/11/585080711.db2.gz JNHXGHFNNRWHCZ-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO COC[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000739869396 585082924 /nfs/dbraw/zinc/08/29/24/585082924.db2.gz HWPUDGBJMRJUHJ-SECBINFHSA-N 1 2 242.348 0.877 20 0 BCADLO COC[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000739869396 585082925 /nfs/dbraw/zinc/08/29/25/585082925.db2.gz HWPUDGBJMRJUHJ-SECBINFHSA-N 1 2 242.348 0.877 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000838976602 585083713 /nfs/dbraw/zinc/08/37/13/585083713.db2.gz BZXFDVCZMULUCG-MRVPVSSYSA-N 1 2 209.236 0.317 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000838976602 585083714 /nfs/dbraw/zinc/08/37/14/585083714.db2.gz BZXFDVCZMULUCG-MRVPVSSYSA-N 1 2 209.236 0.317 20 0 BCADLO FC(F)[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000838982197 585084446 /nfs/dbraw/zinc/08/44/46/585084446.db2.gz MIBCDOJSISDSED-SECBINFHSA-N 1 2 231.246 0.918 20 0 BCADLO FC(F)[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000838982197 585084447 /nfs/dbraw/zinc/08/44/47/585084447.db2.gz MIBCDOJSISDSED-SECBINFHSA-N 1 2 231.246 0.918 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000838988651 585084546 /nfs/dbraw/zinc/08/45/46/585084546.db2.gz BYVDBNYTTJAUSG-VIFPVBQESA-N 1 2 249.318 0.151 20 0 BCADLO CCn1ncc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000839031781 585088394 /nfs/dbraw/zinc/08/83/94/585088394.db2.gz VPKOKWJIRWCNOS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000839031781 585088395 /nfs/dbraw/zinc/08/83/95/585088395.db2.gz VPKOKWJIRWCNOS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000839094243 585090879 /nfs/dbraw/zinc/09/08/79/585090879.db2.gz WOMSFVQIEQEBOC-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000839094243 585090880 /nfs/dbraw/zinc/09/08/80/585090880.db2.gz WOMSFVQIEQEBOC-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CC[C@](COC)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000839113141 585091771 /nfs/dbraw/zinc/09/17/71/585091771.db2.gz ZEQVDKHRMXXOBS-ZYHUDNBSSA-N 1 2 245.319 0.315 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839148678 585092365 /nfs/dbraw/zinc/09/23/65/585092365.db2.gz LSDWRDXJCPBQPM-JQWIXIFHSA-N 1 2 245.319 0.147 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839148678 585092366 /nfs/dbraw/zinc/09/23/66/585092366.db2.gz LSDWRDXJCPBQPM-JQWIXIFHSA-N 1 2 245.319 0.147 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000839128527 585093592 /nfs/dbraw/zinc/09/35/92/585093592.db2.gz CXHNMGXESCWMCF-GXSJLCMTSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000839128527 585093593 /nfs/dbraw/zinc/09/35/93/585093593.db2.gz CXHNMGXESCWMCF-GXSJLCMTSA-N 1 2 224.308 0.501 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000839189607 585097201 /nfs/dbraw/zinc/09/72/01/585097201.db2.gz AXCCNOXTVMJBAI-BDAKNGLRSA-N 1 2 228.292 0.211 20 0 BCADLO CNC(=S)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000839431395 585103816 /nfs/dbraw/zinc/10/38/16/585103816.db2.gz CPQZMSYZPURAGI-UHFFFAOYSA-N 1 2 247.327 0.861 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCCCO)CCO1 ZINC000741248077 585111650 /nfs/dbraw/zinc/11/16/50/585111650.db2.gz OELLFNXRRDJBPK-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCCCO)CCO1 ZINC000741248077 585111651 /nfs/dbraw/zinc/11/16/51/585111651.db2.gz OELLFNXRRDJBPK-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCSC)CCO1 ZINC000741386793 585113068 /nfs/dbraw/zinc/11/30/68/585113068.db2.gz HARYGSXSHPIPEL-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCSC)CCO1 ZINC000741386793 585113069 /nfs/dbraw/zinc/11/30/69/585113069.db2.gz HARYGSXSHPIPEL-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC)CCO1 ZINC000741388640 585113208 /nfs/dbraw/zinc/11/32/08/585113208.db2.gz PUVDLKFUVDIHIK-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC)CCO1 ZINC000741388640 585113209 /nfs/dbraw/zinc/11/32/09/585113209.db2.gz PUVDLKFUVDIHIK-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)CCOC ZINC000741783303 585118800 /nfs/dbraw/zinc/11/88/00/585118800.db2.gz YRBTXCRNGBDAKI-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCOC ZINC000741783303 585118801 /nfs/dbraw/zinc/11/88/01/585118801.db2.gz YRBTXCRNGBDAKI-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ncccn1 ZINC000742252007 585123344 /nfs/dbraw/zinc/12/33/44/585123344.db2.gz LTVJFIHOSKXONZ-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H](O)c1ccccc1 ZINC000742252330 585124386 /nfs/dbraw/zinc/12/43/86/585124386.db2.gz WFUKPSKDEUKZQH-GFCCVEGCSA-N 1 2 245.282 0.770 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(N)=O ZINC000745082783 585156220 /nfs/dbraw/zinc/15/62/20/585156220.db2.gz IKPINMFZFLDVQX-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(N)=O ZINC000745082783 585156221 /nfs/dbraw/zinc/15/62/21/585156221.db2.gz IKPINMFZFLDVQX-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO CCOC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082354 585156349 /nfs/dbraw/zinc/15/63/49/585156349.db2.gz NXSDRTPAJORWGS-VHSXEESVSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082354 585156350 /nfs/dbraw/zinc/15/63/50/585156350.db2.gz NXSDRTPAJORWGS-VHSXEESVSA-N 1 2 243.303 0.966 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC000745084605 585156475 /nfs/dbraw/zinc/15/64/75/585156475.db2.gz WNIYWOORWJXNGT-VHSXEESVSA-N 1 2 242.319 0.668 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC000745084605 585156476 /nfs/dbraw/zinc/15/64/76/585156476.db2.gz WNIYWOORWJXNGT-VHSXEESVSA-N 1 2 242.319 0.668 20 0 BCADLO CC[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745087227 585156778 /nfs/dbraw/zinc/15/67/78/585156778.db2.gz XRUJHLNJDLMZGA-BDAKNGLRSA-N 1 2 228.292 0.278 20 0 BCADLO CC[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC000745087227 585156779 /nfs/dbraw/zinc/15/67/79/585156779.db2.gz XRUJHLNJDLMZGA-BDAKNGLRSA-N 1 2 228.292 0.278 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COC1(C)CCC1 ZINC000746161967 585164087 /nfs/dbraw/zinc/16/40/87/585164087.db2.gz UTAUXLRATDBGHB-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO CC1(OCC(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000746192125 585164815 /nfs/dbraw/zinc/16/48/15/585164815.db2.gz MEIISBMIGGBZID-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CC1(OCC(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000746192125 585164816 /nfs/dbraw/zinc/16/48/16/585164816.db2.gz MEIISBMIGGBZID-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470003 585168196 /nfs/dbraw/zinc/16/81/96/585168196.db2.gz PKLODSNIDRYUNP-CQSZACIVSA-N 1 2 218.366 0.393 20 0 BCADLO CCC(=O)N1CCC[N@H+](CCF)CC1 ZINC000746503454 585168337 /nfs/dbraw/zinc/16/83/37/585168337.db2.gz NZGHRWCPPFNXTM-UHFFFAOYSA-N 1 2 202.273 0.900 20 0 BCADLO CCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000746503454 585168338 /nfs/dbraw/zinc/16/83/38/585168338.db2.gz NZGHRWCPPFNXTM-UHFFFAOYSA-N 1 2 202.273 0.900 20 0 BCADLO O=C(C[NH+]1CCN(CCF)CC1)N1CCCC1 ZINC000746494192 585168704 /nfs/dbraw/zinc/16/87/04/585168704.db2.gz QPRRYLKEUYXPCV-UHFFFAOYSA-N 1 2 243.326 0.196 20 0 BCADLO CC(C)(C)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789627086 585178183 /nfs/dbraw/zinc/17/81/83/585178183.db2.gz LLFIASRHRQBRFU-MRVPVSSYSA-N 1 2 243.307 0.579 20 0 BCADLO COCC[NH+](CCOC)CN1C[C@@H](C)CC1=O ZINC000747449556 585179141 /nfs/dbraw/zinc/17/91/41/585179141.db2.gz MPSSIEOEDQCFCG-NSHDSACASA-N 1 2 244.335 0.407 20 0 BCADLO COCC[NH+](CCOC)CN1C[C@H](C)CC1=O ZINC000747449555 585179276 /nfs/dbraw/zinc/17/92/76/585179276.db2.gz MPSSIEOEDQCFCG-LLVKDONJSA-N 1 2 244.335 0.407 20 0 BCADLO CCONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000747648889 585181609 /nfs/dbraw/zinc/18/16/09/585181609.db2.gz NRBYXAVSVJBHCI-MRVPVSSYSA-N 1 2 209.249 0.513 20 0 BCADLO CC[C@@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000747693828 585182474 /nfs/dbraw/zinc/18/24/74/585182474.db2.gz KQVGPVPIVQXUDL-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCC[C@H]1O ZINC000747710105 585182667 /nfs/dbraw/zinc/18/26/67/585182667.db2.gz LBUYHUFLTMBZPC-WDEREUQCSA-N 1 2 243.303 0.023 20 0 BCADLO Cn1cc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000747780672 585184131 /nfs/dbraw/zinc/18/41/31/585184131.db2.gz GFZSGDCXRFVUAI-UHFFFAOYSA-N 1 2 220.232 0.511 20 0 BCADLO S=C1SCCN1C[N@@H+]1CCCOCC1 ZINC000748072257 585186867 /nfs/dbraw/zinc/18/68/67/585186867.db2.gz FMWRBFOJPWJRKY-UHFFFAOYSA-N 1 2 232.374 1.000 20 0 BCADLO S=C1SCCN1C[N@H+]1CCCOCC1 ZINC000748072257 585186868 /nfs/dbraw/zinc/18/68/68/585186868.db2.gz FMWRBFOJPWJRKY-UHFFFAOYSA-N 1 2 232.374 1.000 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ncccn1 ZINC000748312482 585190605 /nfs/dbraw/zinc/19/06/05/585190605.db2.gz MQIZJZATNHUXFT-UHFFFAOYSA-N 1 2 216.200 0.251 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccc[n+]([O-])c1 ZINC000748312861 585190780 /nfs/dbraw/zinc/19/07/80/585190780.db2.gz PJLBYGBRRZYGNT-UHFFFAOYSA-N 1 2 231.211 0.095 20 0 BCADLO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748346405 585191369 /nfs/dbraw/zinc/19/13/69/585191369.db2.gz BOJMLMPRPUWQJN-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ocnc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748346405 585191370 /nfs/dbraw/zinc/19/13/70/585191370.db2.gz BOJMLMPRPUWQJN-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)c1cn[nH]c1 ZINC000748397684 585192362 /nfs/dbraw/zinc/19/23/62/585192362.db2.gz SITCOPXDSMQNNX-UHFFFAOYSA-N 1 2 219.248 0.659 20 0 BCADLO CO[C@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000748405375 585192444 /nfs/dbraw/zinc/19/24/44/585192444.db2.gz JRZOOQGCVYUACU-SSDOTTSWSA-N 1 2 211.265 0.759 20 0 BCADLO CCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748456606 585192935 /nfs/dbraw/zinc/19/29/35/585192935.db2.gz JGFZNPYYPHVLHZ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748456606 585192936 /nfs/dbraw/zinc/19/29/36/585192936.db2.gz JGFZNPYYPHVLHZ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(C)C)C1 ZINC000748457186 585192942 /nfs/dbraw/zinc/19/29/42/585192942.db2.gz KEORKVFPFLFFFF-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(C)C)C1 ZINC000748457186 585192943 /nfs/dbraw/zinc/19/29/43/585192943.db2.gz KEORKVFPFLFFFF-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CC[N@H+](CCOC)CN1C(=O)CC(C)(C)C1=O ZINC000748790467 585196080 /nfs/dbraw/zinc/19/60/80/585196080.db2.gz SCSGMXZFWNCELI-UHFFFAOYSA-N 1 2 242.319 0.697 20 0 BCADLO CC[N@@H+](CCOC)CN1C(=O)CC(C)(C)C1=O ZINC000748790467 585196081 /nfs/dbraw/zinc/19/60/81/585196081.db2.gz SCSGMXZFWNCELI-UHFFFAOYSA-N 1 2 242.319 0.697 20 0 BCADLO CCOC(=O)C[N@H+](CC)C/C=C(/C)C(=O)OC ZINC000748814956 585196523 /nfs/dbraw/zinc/19/65/23/585196523.db2.gz IULODRCNMNFIPK-YFHOEESVSA-N 1 2 243.303 0.991 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C/C=C(/C)C(=O)OC ZINC000748814956 585196524 /nfs/dbraw/zinc/19/65/24/585196524.db2.gz IULODRCNMNFIPK-YFHOEESVSA-N 1 2 243.303 0.991 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)C(C)(C)C(=O)OC ZINC000748818296 585196765 /nfs/dbraw/zinc/19/67/65/585196765.db2.gz UBIGSSNCTHXCQV-CLFYSBASSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)C(C)(C)C(=O)OC ZINC000748818296 585196766 /nfs/dbraw/zinc/19/67/66/585196766.db2.gz UBIGSSNCTHXCQV-CLFYSBASSA-N 1 2 243.303 0.989 20 0 BCADLO COCCONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000749000586 585198066 /nfs/dbraw/zinc/19/80/66/585198066.db2.gz PTAKPSLDERMJDR-VIFPVBQESA-N 1 2 242.279 0.149 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cccc(F)n1 ZINC000749085478 585199241 /nfs/dbraw/zinc/19/92/41/585199241.db2.gz JRRLVIORWQSZSC-UHFFFAOYSA-N 1 2 234.234 0.734 20 0 BCADLO COCCONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000749257652 585200829 /nfs/dbraw/zinc/20/08/29/585200829.db2.gz KVVHGHRHXRANLA-VIFPVBQESA-N 1 2 239.275 0.140 20 0 BCADLO Cc1nonc1C[N@H+]1CCCOC[C@H]1C ZINC000749508201 585202908 /nfs/dbraw/zinc/20/29/08/585202908.db2.gz BVNOBGIRGYIXAP-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@@H+]1CCCOC[C@H]1C ZINC000749508201 585202909 /nfs/dbraw/zinc/20/29/09/585202909.db2.gz BVNOBGIRGYIXAP-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCOC[C@@H]1C ZINC000749510917 585203071 /nfs/dbraw/zinc/20/30/71/585203071.db2.gz MALMVRMFZVIQPX-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCOC[C@@H]1C ZINC000749510917 585203072 /nfs/dbraw/zinc/20/30/72/585203072.db2.gz MALMVRMFZVIQPX-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1COCCC[N@@H+]1CCS(C)(=O)=O ZINC000749514275 585203481 /nfs/dbraw/zinc/20/34/81/585203481.db2.gz HTDDBWNPESCUCF-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1COCCC[N@H+]1CCS(C)(=O)=O ZINC000749514275 585203482 /nfs/dbraw/zinc/20/34/82/585203482.db2.gz HTDDBWNPESCUCF-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccc(C=O)[nH]1 ZINC000749981861 585209064 /nfs/dbraw/zinc/20/90/64/585209064.db2.gz UUXACSFLHOQQRH-UHFFFAOYSA-N 1 2 232.243 0.491 20 0 BCADLO O=Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000749988616 585209271 /nfs/dbraw/zinc/20/92/71/585209271.db2.gz FONIMVRJSUZDMH-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO COCC[NH+]1CCN(CCCCCCO)CC1 ZINC000750184545 585211805 /nfs/dbraw/zinc/21/18/05/585211805.db2.gz LLAFECBBEGOWJD-UHFFFAOYSA-N 1 2 244.379 0.803 20 0 BCADLO C/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747279 585219494 /nfs/dbraw/zinc/21/94/94/585219494.db2.gz QWNILJGXLBIXOJ-FSIBCCDJSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747279 585219495 /nfs/dbraw/zinc/21/94/95/585219495.db2.gz QWNILJGXLBIXOJ-FSIBCCDJSA-N 1 2 212.293 0.399 20 0 BCADLO COCC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886945868 585223383 /nfs/dbraw/zinc/22/33/83/585223383.db2.gz CJJDYSKOFZHBBZ-VHSXEESVSA-N 1 2 231.292 0.333 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CSCCS1 ZINC000751068516 585223855 /nfs/dbraw/zinc/22/38/55/585223855.db2.gz WREUWPNVZLCEIP-MRVPVSSYSA-N 1 2 243.357 0.875 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CSCCS1 ZINC000751068516 585223856 /nfs/dbraw/zinc/22/38/56/585223856.db2.gz WREUWPNVZLCEIP-MRVPVSSYSA-N 1 2 243.357 0.875 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751367484 585227683 /nfs/dbraw/zinc/22/76/83/585227683.db2.gz NNWPXJQQYKZGDW-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751367484 585227684 /nfs/dbraw/zinc/22/76/84/585227684.db2.gz NNWPXJQQYKZGDW-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000751375463 585228183 /nfs/dbraw/zinc/22/81/83/585228183.db2.gz IKVXVNNLPFJOAJ-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000751375463 585228184 /nfs/dbraw/zinc/22/81/84/585228184.db2.gz IKVXVNNLPFJOAJ-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO Nc1ccc(CCC(=O)O[C@@H]2CCNC2=O)c[nH+]1 ZINC000751455763 585230334 /nfs/dbraw/zinc/23/03/34/585230334.db2.gz KXFQHBGTGCPDCR-SECBINFHSA-N 1 2 249.270 0.028 20 0 BCADLO CS/C=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000751576372 585233311 /nfs/dbraw/zinc/23/33/11/585233311.db2.gz ALBGMYHSXBBVRS-SIUBYYJGSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000751576372 585233312 /nfs/dbraw/zinc/23/33/12/585233312.db2.gz ALBGMYHSXBBVRS-SIUBYYJGSA-N 1 2 244.360 0.700 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC000751747515 585236141 /nfs/dbraw/zinc/23/61/41/585236141.db2.gz VLLDAUORBREBSG-NWDGAFQWSA-N 1 2 239.315 0.908 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000752096331 585242346 /nfs/dbraw/zinc/24/23/46/585242346.db2.gz XWOPZIYXRKBJAC-KWQFWETISA-N 1 2 246.282 0.050 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000752096331 585242347 /nfs/dbraw/zinc/24/23/47/585242347.db2.gz XWOPZIYXRKBJAC-KWQFWETISA-N 1 2 246.282 0.050 20 0 BCADLO COc1cccc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000752800130 585250418 /nfs/dbraw/zinc/25/04/18/585250418.db2.gz SCYQFLLUJZCEAW-UHFFFAOYSA-N 1 2 245.238 0.865 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N2CC(F)C2)CCO1 ZINC000753147701 585254413 /nfs/dbraw/zinc/25/44/13/585254413.db2.gz MEVMLTRTKGQLGW-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CC(F)C2)CCO1 ZINC000753147701 585254414 /nfs/dbraw/zinc/25/44/14/585254414.db2.gz MEVMLTRTKGQLGW-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO Cc1nc(C(=O)NCCc2c[nH+]cn2C)no1 ZINC000753873425 585271490 /nfs/dbraw/zinc/27/14/90/585271490.db2.gz GQHYSIKICBGUIG-UHFFFAOYSA-N 1 2 235.247 0.084 20 0 BCADLO CCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753895351 585271842 /nfs/dbraw/zinc/27/18/42/585271842.db2.gz LTCVDTPYEYUODL-AOOOYVTPSA-N 1 2 213.277 0.803 20 0 BCADLO CCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753895351 585271843 /nfs/dbraw/zinc/27/18/43/585271843.db2.gz LTCVDTPYEYUODL-AOOOYVTPSA-N 1 2 213.277 0.803 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000754001942 585274940 /nfs/dbraw/zinc/27/49/40/585274940.db2.gz RWQSOYHGMALLOG-MMWGEVLESA-N 1 2 237.299 0.849 20 0 BCADLO CN(C)c1cc(C[N@H+](C)CC(N)=O)ccn1 ZINC000754010546 585275080 /nfs/dbraw/zinc/27/50/80/585275080.db2.gz QXLJCWNDTVBHFI-UHFFFAOYSA-N 1 2 222.292 0.065 20 0 BCADLO CN(C)c1cc(C[N@@H+](C)CC(N)=O)ccn1 ZINC000754010546 585275081 /nfs/dbraw/zinc/27/50/81/585275081.db2.gz QXLJCWNDTVBHFI-UHFFFAOYSA-N 1 2 222.292 0.065 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1=CCCCO1 ZINC000754303852 585282132 /nfs/dbraw/zinc/28/21/32/585282132.db2.gz VYZGPEMZEHGDCZ-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1=CCCCO1 ZINC000754303852 585282133 /nfs/dbraw/zinc/28/21/33/585282133.db2.gz VYZGPEMZEHGDCZ-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1nnc(C2CC2)o1 ZINC000754296887 585282197 /nfs/dbraw/zinc/28/21/97/585282197.db2.gz YHKIFMPVAJLLDT-ZCFIWIBFSA-N 1 2 240.263 0.980 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@H](C)c1nnc(C)o1 ZINC000754296090 585282253 /nfs/dbraw/zinc/28/22/53/585282253.db2.gz KFFRUPBAHPXIDD-PHDIDXHHSA-N 1 2 228.252 0.972 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)c1nnc(C)o1 ZINC000754296089 585282324 /nfs/dbraw/zinc/28/23/24/585282324.db2.gz KFFRUPBAHPXIDD-NTSWFWBYSA-N 1 2 228.252 0.972 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)c1cn[nH]c1 ZINC000754338554 585282896 /nfs/dbraw/zinc/28/28/96/585282896.db2.gz UPNXXAIHEGZVOC-UHFFFAOYSA-N 1 2 205.221 0.269 20 0 BCADLO CO[C@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000754687490 585289399 /nfs/dbraw/zinc/28/93/99/585289399.db2.gz NMZYPRVKCZCXRG-MRVPVSSYSA-N 1 2 212.249 0.888 20 0 BCADLO COc1ncc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000754683616 585289516 /nfs/dbraw/zinc/28/95/16/585289516.db2.gz ALTDIFGXUCDFLC-UHFFFAOYSA-N 1 2 248.242 0.576 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)C=C2CCC2)C1 ZINC000755359647 585298455 /nfs/dbraw/zinc/29/84/55/585298455.db2.gz BZNFMFCRCWFHGD-GFCCVEGCSA-N 1 2 237.347 0.459 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)C=C2CCC2)C1 ZINC000755359647 585298456 /nfs/dbraw/zinc/29/84/56/585298456.db2.gz BZNFMFCRCWFHGD-GFCCVEGCSA-N 1 2 237.347 0.459 20 0 BCADLO O=C(CCc1ccncn1)OCCn1cc[nH+]c1 ZINC000755633041 585302840 /nfs/dbraw/zinc/30/28/40/585302840.db2.gz MGBZTYQQIRKYKO-UHFFFAOYSA-N 1 2 246.270 0.849 20 0 BCADLO C[S@](=O)CC[NH+]1CCN(CCC2CC2)CC1 ZINC000755949075 585311376 /nfs/dbraw/zinc/31/13/76/585311376.db2.gz FWVPCGHEGIKROP-INIZCTEOSA-N 1 2 244.404 0.783 20 0 BCADLO COC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756130919 585314787 /nfs/dbraw/zinc/31/47/87/585314787.db2.gz LTGCFQFKRZIFRM-QMMMGPOBSA-N 1 2 209.249 0.976 20 0 BCADLO CCC1(C(=O)OCc2c[nH+]cn2C)COC1 ZINC000756296021 585317094 /nfs/dbraw/zinc/31/70/94/585317094.db2.gz RVVWPPLUJKTWJC-UHFFFAOYSA-N 1 2 224.260 0.890 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000839534467 585329355 /nfs/dbraw/zinc/32/93/55/585329355.db2.gz SOGGWEDQRWTULO-HLTSFMKQSA-N 1 2 248.334 0.675 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000839534467 585329356 /nfs/dbraw/zinc/32/93/56/585329356.db2.gz SOGGWEDQRWTULO-HLTSFMKQSA-N 1 2 248.334 0.675 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccnc(N)c1 ZINC000839575125 585330478 /nfs/dbraw/zinc/33/04/78/585330478.db2.gz QWYGDLSYVPUKIX-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccnc(N)c1 ZINC000839575125 585330479 /nfs/dbraw/zinc/33/04/79/585330479.db2.gz QWYGDLSYVPUKIX-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO CCCCCNC(=O)C[NH+]1CC(O)(C(C)C)C1 ZINC000839584137 585331039 /nfs/dbraw/zinc/33/10/39/585331039.db2.gz RCLKDKBXEUMOSE-UHFFFAOYSA-N 1 2 242.363 0.996 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000839670775 585336247 /nfs/dbraw/zinc/33/62/47/585336247.db2.gz HSXSCPSRYDOZHI-MWLCHTKSSA-N 1 2 215.293 0.437 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000839670775 585336248 /nfs/dbraw/zinc/33/62/48/585336248.db2.gz HSXSCPSRYDOZHI-MWLCHTKSSA-N 1 2 215.293 0.437 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000839675683 585336903 /nfs/dbraw/zinc/33/69/03/585336903.db2.gz QYWOZIUSFFHQAQ-JKRGSOBMSA-N 1 2 205.685 0.821 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000839675683 585336904 /nfs/dbraw/zinc/33/69/04/585336904.db2.gz QYWOZIUSFFHQAQ-JKRGSOBMSA-N 1 2 205.685 0.821 20 0 BCADLO CC[N@H+](CCS(N)(=O)=O)Cc1ccccn1 ZINC000757838854 585345923 /nfs/dbraw/zinc/34/59/23/585345923.db2.gz GCEWSXJYQKMOFZ-UHFFFAOYSA-N 1 2 243.332 0.192 20 0 BCADLO CC[N@@H+](CCS(N)(=O)=O)Cc1ccccn1 ZINC000757838854 585345924 /nfs/dbraw/zinc/34/59/24/585345924.db2.gz GCEWSXJYQKMOFZ-UHFFFAOYSA-N 1 2 243.332 0.192 20 0 BCADLO CC(C)[N@H+](Cn1nc2cnccn2c1=O)C1CC1 ZINC000758293255 585353525 /nfs/dbraw/zinc/35/35/25/585353525.db2.gz UOJFIZNZEPZROT-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO CC(C)[N@@H+](Cn1nc2cnccn2c1=O)C1CC1 ZINC000758293255 585353526 /nfs/dbraw/zinc/35/35/26/585353526.db2.gz UOJFIZNZEPZROT-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO CC[N@H+](Cn1ncn(C)c1=O)[C@H](C)C(C)C ZINC000758305875 585353628 /nfs/dbraw/zinc/35/36/28/585353628.db2.gz WHQFGABZFYRSEU-SNVBAGLBSA-N 1 2 226.324 0.906 20 0 BCADLO CC[N@@H+](Cn1ncn(C)c1=O)[C@H](C)C(C)C ZINC000758305875 585353629 /nfs/dbraw/zinc/35/36/29/585353629.db2.gz WHQFGABZFYRSEU-SNVBAGLBSA-N 1 2 226.324 0.906 20 0 BCADLO CC[C@H]1CCC[N@@H+]1Cn1nc2cnccn2c1=O ZINC000758320007 585353692 /nfs/dbraw/zinc/35/36/92/585353692.db2.gz NBJRGWVQOJCJIC-JTQLQIEISA-N 1 2 247.302 0.723 20 0 BCADLO CC[C@H]1CCC[N@H+]1Cn1nc2cnccn2c1=O ZINC000758320007 585353693 /nfs/dbraw/zinc/35/36/93/585353693.db2.gz NBJRGWVQOJCJIC-JTQLQIEISA-N 1 2 247.302 0.723 20 0 BCADLO C[N@H+](CC1CC1)Cn1nc2n(c1=O)CCCC2 ZINC000758306173 585353700 /nfs/dbraw/zinc/35/37/00/585353700.db2.gz LOXODAXDARKCKW-UHFFFAOYSA-N 1 2 236.319 0.680 20 0 BCADLO C[N@@H+](CC1CC1)Cn1nc2n(c1=O)CCCC2 ZINC000758306173 585353701 /nfs/dbraw/zinc/35/37/01/585353701.db2.gz LOXODAXDARKCKW-UHFFFAOYSA-N 1 2 236.319 0.680 20 0 BCADLO CCC[N@H+](CC)Cn1nc2cnccn2c1=O ZINC000758307196 585353786 /nfs/dbraw/zinc/35/37/86/585353786.db2.gz PMPCCNUJWBROBB-UHFFFAOYSA-N 1 2 235.291 0.580 20 0 BCADLO CCC[N@@H+](CC)Cn1nc2cnccn2c1=O ZINC000758307196 585353787 /nfs/dbraw/zinc/35/37/87/585353787.db2.gz PMPCCNUJWBROBB-UHFFFAOYSA-N 1 2 235.291 0.580 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC(C)(C)C2)c1=O ZINC000758340706 585354054 /nfs/dbraw/zinc/35/40/54/585354054.db2.gz OFJMRPXFXFGMPP-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO Cn1cnn(C[N@H+]2CCC(C)(C)C2)c1=O ZINC000758340706 585354055 /nfs/dbraw/zinc/35/40/55/585354055.db2.gz OFJMRPXFXFGMPP-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000758496062 585356507 /nfs/dbraw/zinc/35/65/07/585356507.db2.gz YBICLFYIWVWZDR-VIFPVBQESA-N 1 2 233.271 0.787 20 0 BCADLO CC[C@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808169224 585365145 /nfs/dbraw/zinc/36/51/45/585365145.db2.gz XGTLASWMRFMEST-VIFPVBQESA-N 1 2 237.307 0.464 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808169224 585365146 /nfs/dbraw/zinc/36/51/46/585365146.db2.gz XGTLASWMRFMEST-VIFPVBQESA-N 1 2 237.307 0.464 20 0 BCADLO O=C1CN(Cc2c[nH+]c3ccccn23)CCCN1 ZINC000759339327 585368555 /nfs/dbraw/zinc/36/85/55/585368555.db2.gz MODSIJRROHJRIR-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1C[N@H+](Cc2cnc3ccccn23)CCCN1 ZINC000759339327 585368556 /nfs/dbraw/zinc/36/85/56/585368556.db2.gz MODSIJRROHJRIR-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1C[N@@H+](Cc2cnc3ccccn23)CCCN1 ZINC000759339327 585368557 /nfs/dbraw/zinc/36/85/57/585368557.db2.gz MODSIJRROHJRIR-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc2ccccn12 ZINC000759341048 585368933 /nfs/dbraw/zinc/36/89/33/585368933.db2.gz AJRMAWXDXWMDKI-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc2ccccn12 ZINC000759341048 585368934 /nfs/dbraw/zinc/36/89/34/585368934.db2.gz AJRMAWXDXWMDKI-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1[nH+]ccn1C ZINC000759367194 585371382 /nfs/dbraw/zinc/37/13/82/585371382.db2.gz XRUXZLCUKJSDNR-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@](C)(CO)C2CC2)c[nH+]1 ZINC000759533969 585374920 /nfs/dbraw/zinc/37/49/20/585374920.db2.gz HICXUPWVBXOOQV-NSHDSACASA-N 1 2 223.276 0.609 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000759710290 585379209 /nfs/dbraw/zinc/37/92/09/585379209.db2.gz DZXIEUHUFTUUJX-GXSJLCMTSA-N 1 2 233.267 0.765 20 0 BCADLO COCc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c(=O)o1 ZINC000759738046 585379601 /nfs/dbraw/zinc/37/96/01/585379601.db2.gz XPNLWAZELOIAOA-IUCAKERBSA-N 1 2 241.291 0.528 20 0 BCADLO C[C@H](C[N@@H+]1CCN(C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077106 585404044 /nfs/dbraw/zinc/40/40/44/585404044.db2.gz KMQRGKGVWNMKRB-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](C[N@H+]1CCN(C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077106 585404045 /nfs/dbraw/zinc/40/40/45/585404045.db2.gz KMQRGKGVWNMKRB-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@H+](C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077106 585404046 /nfs/dbraw/zinc/40/40/46/585404046.db2.gz KMQRGKGVWNMKRB-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@@H+](C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077106 585404047 /nfs/dbraw/zinc/40/40/47/585404047.db2.gz KMQRGKGVWNMKRB-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761067460 585405079 /nfs/dbraw/zinc/40/50/79/585405079.db2.gz DYDJPQCQWTVQLX-QWRGUYRKSA-N 1 2 241.379 0.926 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761067460 585405080 /nfs/dbraw/zinc/40/50/80/585405080.db2.gz DYDJPQCQWTVQLX-QWRGUYRKSA-N 1 2 241.379 0.926 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761080978 585406593 /nfs/dbraw/zinc/40/65/93/585406593.db2.gz KWHMQIVLQYIFHX-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761080978 585406594 /nfs/dbraw/zinc/40/65/94/585406594.db2.gz KWHMQIVLQYIFHX-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761078744 585406728 /nfs/dbraw/zinc/40/67/28/585406728.db2.gz XTVRNPKBIWBTCL-VXGBXAGGSA-N 1 2 241.379 0.927 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761078744 585406729 /nfs/dbraw/zinc/40/67/29/585406729.db2.gz XTVRNPKBIWBTCL-VXGBXAGGSA-N 1 2 241.379 0.927 20 0 BCADLO O=c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)nc2cc[nH]n21 ZINC000761086274 585407315 /nfs/dbraw/zinc/40/73/15/585407315.db2.gz NMRAPFRLAAPTQX-WCBMZHEXSA-N 1 2 230.271 0.617 20 0 BCADLO O=c1cc(C[N@H+]2CC[C@H]3C[C@H]32)nc2cc[nH]n21 ZINC000761086274 585407316 /nfs/dbraw/zinc/40/73/16/585407316.db2.gz NMRAPFRLAAPTQX-WCBMZHEXSA-N 1 2 230.271 0.617 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)N[C@@H](C2CC2)C1=O ZINC000761232340 585412650 /nfs/dbraw/zinc/41/26/50/585412650.db2.gz MZFMFUIMFMMLJD-VIFPVBQESA-N 1 2 234.259 0.251 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](Cn2cnnc2)C1 ZINC000762185089 585428722 /nfs/dbraw/zinc/42/87/22/585428722.db2.gz QRGVGPVZSSGAPU-SSDOTTSWSA-N 1 2 236.197 0.235 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cn2cnnc2)C1 ZINC000762185089 585428723 /nfs/dbraw/zinc/42/87/23/585428723.db2.gz QRGVGPVZSSGAPU-SSDOTTSWSA-N 1 2 236.197 0.235 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nc2cc[nH]cc-2n1 ZINC000762202508 585428828 /nfs/dbraw/zinc/42/88/28/585428828.db2.gz PTMLTVPPKRSERU-UHFFFAOYSA-N 1 2 242.242 0.793 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1 ZINC000762211068 585429008 /nfs/dbraw/zinc/42/90/08/585429008.db2.gz SYMOBLMOXUZFBA-YUMQZZPRSA-N 1 2 242.275 0.615 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CC2(CC2)C(=O)O1 ZINC000762211065 585429017 /nfs/dbraw/zinc/42/90/17/585429017.db2.gz SYMOBLMOXUZFBA-HTQZYQBOSA-N 1 2 242.275 0.615 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)c1ccco1 ZINC000762313046 585430734 /nfs/dbraw/zinc/43/07/34/585430734.db2.gz NPQHAGVWWTWOOI-SECBINFHSA-N 1 2 235.243 0.326 20 0 BCADLO O=C1CN(c2[nH]c3ccccc3[nH+]2)CCCN1 ZINC000762525959 585433640 /nfs/dbraw/zinc/43/36/40/585433640.db2.gz YOMULRPKMGWAFD-UHFFFAOYSA-N 1 2 230.271 0.889 20 0 BCADLO Cc1nsc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000763256840 585445154 /nfs/dbraw/zinc/44/51/54/585445154.db2.gz JAAIFXWQHICFCX-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000763874556 585455731 /nfs/dbraw/zinc/45/57/31/585455731.db2.gz IKCPJCDITCOHFF-LURJTMIESA-N 1 2 228.189 0.661 20 0 BCADLO C[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763874556 585455732 /nfs/dbraw/zinc/45/57/32/585455732.db2.gz IKCPJCDITCOHFF-LURJTMIESA-N 1 2 228.189 0.661 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NCC(C)C ZINC000764202288 585461141 /nfs/dbraw/zinc/46/11/41/585461141.db2.gz FWSMLGGMILWPIE-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NCC(C)C ZINC000764202288 585461142 /nfs/dbraw/zinc/46/11/42/585461142.db2.gz FWSMLGGMILWPIE-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000764832505 585475212 /nfs/dbraw/zinc/47/52/12/585475212.db2.gz QXDBROGVDXVJKE-VIFPVBQESA-N 1 2 225.292 0.406 20 0 BCADLO C/C=C(/C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765121754 585481590 /nfs/dbraw/zinc/48/15/90/585481590.db2.gz KGWTYZGJJUZRAE-JYOAFUTRSA-N 1 2 238.331 0.934 20 0 BCADLO CC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000765447759 585486826 /nfs/dbraw/zinc/48/68/26/585486826.db2.gz BGDKFLOHWLLIHI-UHFFFAOYSA-N 1 2 231.255 0.541 20 0 BCADLO CON(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765642031 585491808 /nfs/dbraw/zinc/49/18/08/585491808.db2.gz RHTMBTVIQQWJEU-UHFFFAOYSA-N 1 2 243.307 0.054 20 0 BCADLO COC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765698306 585492084 /nfs/dbraw/zinc/49/20/84/585492084.db2.gz NNEUUMZAZSDGMD-UHFFFAOYSA-N 1 2 214.265 0.207 20 0 BCADLO C[C@H](CO)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000766730644 585506736 /nfs/dbraw/zinc/50/67/36/585506736.db2.gz NKCMHQVXHXDUDN-ZJUUUORDSA-N 1 2 247.360 0.595 20 0 BCADLO COC(=O)CC[N@@H+](CCF)CC(OC)OC ZINC000766876584 585508980 /nfs/dbraw/zinc/50/89/80/585508980.db2.gz AMHBKAPPOBNCGE-UHFFFAOYSA-N 1 2 237.271 0.440 20 0 BCADLO COC(=O)CC[N@H+](CCF)CC(OC)OC ZINC000766876584 585508981 /nfs/dbraw/zinc/50/89/81/585508981.db2.gz AMHBKAPPOBNCGE-UHFFFAOYSA-N 1 2 237.271 0.440 20 0 BCADLO CCC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767114322 585514498 /nfs/dbraw/zinc/51/44/98/585514498.db2.gz CFZSOLYYVVGLCL-SECBINFHSA-N 1 2 245.344 0.946 20 0 BCADLO CCC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767114322 585514499 /nfs/dbraw/zinc/51/44/99/585514499.db2.gz CFZSOLYYVVGLCL-SECBINFHSA-N 1 2 245.344 0.946 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C)c1cnccn1 ZINC000767307852 585516297 /nfs/dbraw/zinc/51/62/97/585516297.db2.gz ZXLPHVIKMQYURZ-VIFPVBQESA-N 1 2 222.292 0.606 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)c1cnccn1 ZINC000767307852 585516298 /nfs/dbraw/zinc/51/62/98/585516298.db2.gz ZXLPHVIKMQYURZ-VIFPVBQESA-N 1 2 222.292 0.606 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCCNC(=O)C1 ZINC000767312524 585516556 /nfs/dbraw/zinc/51/65/56/585516556.db2.gz LZXMTUMCGADHJV-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCCNC(=O)C1 ZINC000767312524 585516557 /nfs/dbraw/zinc/51/65/57/585516557.db2.gz LZXMTUMCGADHJV-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO CCOC(C[N@@H+]1CCN(CC)C(=O)C1)OCC ZINC000767849063 585526919 /nfs/dbraw/zinc/52/69/19/585526919.db2.gz HBPKCSCILSNHRE-UHFFFAOYSA-N 1 2 244.335 0.550 20 0 BCADLO CCOC(C[N@H+]1CCN(CC)C(=O)C1)OCC ZINC000767849063 585526920 /nfs/dbraw/zinc/52/69/20/585526920.db2.gz HBPKCSCILSNHRE-UHFFFAOYSA-N 1 2 244.335 0.550 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CO)C1CC1 ZINC000767899227 585527950 /nfs/dbraw/zinc/52/79/50/585527950.db2.gz FYHCTKSXBCDPRY-LLVKDONJSA-N 1 2 235.287 0.704 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc2cnccn12 ZINC000768303428 585535334 /nfs/dbraw/zinc/53/53/34/585535334.db2.gz SKFBXLORFIVKAH-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc2cnccn12 ZINC000768303428 585535335 /nfs/dbraw/zinc/53/53/35/585535335.db2.gz SKFBXLORFIVKAH-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(CO)o1 ZINC000768302371 585535565 /nfs/dbraw/zinc/53/55/65/585535565.db2.gz LJBUQABDGKGOGC-UHFFFAOYSA-N 1 2 226.276 0.340 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(CO)o1 ZINC000768302371 585535566 /nfs/dbraw/zinc/53/55/66/585535566.db2.gz LJBUQABDGKGOGC-UHFFFAOYSA-N 1 2 226.276 0.340 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000768342397 585536380 /nfs/dbraw/zinc/53/63/80/585536380.db2.gz FKHXLMVDIICHCS-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)F)CC1 ZINC000768393137 585537830 /nfs/dbraw/zinc/53/78/30/585537830.db2.gz WOSBDZLCHKASJC-VIFPVBQESA-N 1 2 232.299 0.260 20 0 BCADLO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000768716686 585542224 /nfs/dbraw/zinc/54/22/24/585542224.db2.gz NTSKQAQQCBMKOA-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000768716686 585542225 /nfs/dbraw/zinc/54/22/25/585542225.db2.gz NTSKQAQQCBMKOA-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@@H](C)CN1C ZINC000768768939 585542897 /nfs/dbraw/zinc/54/28/97/585542897.db2.gz DONNKNVTCJWNBP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@@H](C)CN1C ZINC000768768939 585542898 /nfs/dbraw/zinc/54/28/98/585542898.db2.gz DONNKNVTCJWNBP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1CN(CCS(C)(=O)=O)[C@@H](C)C[N@@H+]1C ZINC000768768939 585542899 /nfs/dbraw/zinc/54/28/99/585542899.db2.gz DONNKNVTCJWNBP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1CN(CCS(C)(=O)=O)[C@@H](C)C[N@H+]1C ZINC000768768939 585542900 /nfs/dbraw/zinc/54/29/00/585542900.db2.gz DONNKNVTCJWNBP-ZJUUUORDSA-N 1 2 234.365 0.055 20 0 BCADLO CCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769313355 585553497 /nfs/dbraw/zinc/55/34/97/585553497.db2.gz SXXOLXWUMWSGRY-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000769332090 585553890 /nfs/dbraw/zinc/55/38/90/585553890.db2.gz IDWAOSOHLJYAOK-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000769332090 585553891 /nfs/dbraw/zinc/55/38/91/585553891.db2.gz IDWAOSOHLJYAOK-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000769483148 585558230 /nfs/dbraw/zinc/55/82/30/585558230.db2.gz MTQBZUBNLPKRRC-SECBINFHSA-N 1 2 222.248 0.046 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000769483148 585558231 /nfs/dbraw/zinc/55/82/31/585558231.db2.gz MTQBZUBNLPKRRC-SECBINFHSA-N 1 2 222.248 0.046 20 0 BCADLO C[C@H]1CN(C(=O)c2csnn2)CC[N@@H+]1C ZINC000769654716 585561112 /nfs/dbraw/zinc/56/11/12/585561112.db2.gz RNEYGCOTHKPNKO-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@H]1CN(C(=O)c2csnn2)CC[N@H+]1C ZINC000769654716 585561113 /nfs/dbraw/zinc/56/11/13/585561113.db2.gz RNEYGCOTHKPNKO-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@@H](NC(=S)NC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000769791761 585563476 /nfs/dbraw/zinc/56/34/76/585563476.db2.gz HXMLCCOXZULJGT-SCZZXKLOSA-N 1 2 243.376 0.332 20 0 BCADLO C[C@@H](NC(=S)NC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791761 585563477 /nfs/dbraw/zinc/56/34/77/585563477.db2.gz HXMLCCOXZULJGT-SCZZXKLOSA-N 1 2 243.376 0.332 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000769804886 585564072 /nfs/dbraw/zinc/56/40/72/585564072.db2.gz KJNNUQRRPLAGQK-NSHDSACASA-N 1 2 240.307 0.361 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000769804886 585564073 /nfs/dbraw/zinc/56/40/73/585564073.db2.gz KJNNUQRRPLAGQK-NSHDSACASA-N 1 2 240.307 0.361 20 0 BCADLO O=C(OCCC[NH+]1CCOCC1)C1CC(=O)C1 ZINC000769804261 585564138 /nfs/dbraw/zinc/56/41/38/585564138.db2.gz CZDATNJLTPYURQ-UHFFFAOYSA-N 1 2 241.287 0.231 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770025731 585569684 /nfs/dbraw/zinc/56/96/84/585569684.db2.gz YXXWHRKFPOGIST-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770025731 585569685 /nfs/dbraw/zinc/56/96/85/585569685.db2.gz YXXWHRKFPOGIST-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000770210880 585571727 /nfs/dbraw/zinc/57/17/27/585571727.db2.gz XSANGZUFKYQRBQ-LBPRGKRZSA-N 1 2 245.319 0.413 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3ncccc32)C1 ZINC000770330026 585572758 /nfs/dbraw/zinc/57/27/58/585572758.db2.gz ZFMYCMBDOFRUKL-GFCCVEGCSA-N 1 2 247.298 0.301 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3ncccc32)C1 ZINC000770330026 585572759 /nfs/dbraw/zinc/57/27/59/585572759.db2.gz ZFMYCMBDOFRUKL-GFCCVEGCSA-N 1 2 247.298 0.301 20 0 BCADLO O=C(NCC1(O)CCC1)c1cccc2[nH+]ccn21 ZINC000770433777 585574107 /nfs/dbraw/zinc/57/41/07/585574107.db2.gz XJDWKNGTFIKGHV-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO Cn1ccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000770454940 585574282 /nfs/dbraw/zinc/57/42/82/585574282.db2.gz DJHGFJSPVMFURN-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO COc1cc[nH+]cc1COC(=O)C(C)(C)O ZINC000805434700 585593997 /nfs/dbraw/zinc/59/39/97/585593997.db2.gz WYMHHJYHHLIKQY-UHFFFAOYSA-N 1 2 225.244 0.904 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000771463673 585594705 /nfs/dbraw/zinc/59/47/05/585594705.db2.gz XXCGUEZTURKUQS-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000771463673 585594706 /nfs/dbraw/zinc/59/47/06/585594706.db2.gz XXCGUEZTURKUQS-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000771463673 585594707 /nfs/dbraw/zinc/59/47/07/585594707.db2.gz XXCGUEZTURKUQS-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771463673 585594708 /nfs/dbraw/zinc/59/47/08/585594708.db2.gz XXCGUEZTURKUQS-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C/C=C(\C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771563291 585596285 /nfs/dbraw/zinc/59/62/85/585596285.db2.gz WCNOQVYMLYQJRZ-NDZKXSSTSA-N 1 2 238.331 0.886 20 0 BCADLO NC(Cc1cccnc1)=[NH+]O[C@H]1CCNC1=O ZINC000771674838 585598955 /nfs/dbraw/zinc/59/89/55/585598955.db2.gz WOVMSJUYKTWHCO-VIFPVBQESA-N 1 2 234.259 0.011 20 0 BCADLO COC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000771763557 585599766 /nfs/dbraw/zinc/59/97/66/585599766.db2.gz IXBQTRWVRUGXAX-HTQZYQBOSA-N 1 2 202.254 0.062 20 0 BCADLO COC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000771763557 585599767 /nfs/dbraw/zinc/59/97/67/585599767.db2.gz IXBQTRWVRUGXAX-HTQZYQBOSA-N 1 2 202.254 0.062 20 0 BCADLO CCO[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771911036 585604438 /nfs/dbraw/zinc/60/44/38/585604438.db2.gz KKHTVKFEXYRXBM-SECBINFHSA-N 1 2 212.249 0.851 20 0 BCADLO O=C(C[C@@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000771909423 585604502 /nfs/dbraw/zinc/60/45/02/585604502.db2.gz AOGZGYYNIRWCDE-JTQLQIEISA-N 1 2 224.260 0.995 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1(O)CCC1 ZINC000771924783 585604799 /nfs/dbraw/zinc/60/47/99/585604799.db2.gz FNKYUCRATSMBPC-UHFFFAOYSA-N 1 2 210.233 0.341 20 0 BCADLO COc1ncc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771964591 585605826 /nfs/dbraw/zinc/60/58/26/585605826.db2.gz KXXCWKJICNQULS-UHFFFAOYSA-N 1 2 248.242 0.539 20 0 BCADLO Cc1c(C(=O)OCCn2cc[nH+]c2)nnn1C ZINC000771978776 585606108 /nfs/dbraw/zinc/60/61/08/585606108.db2.gz UOYGWWXDGSJSOS-UHFFFAOYSA-N 1 2 235.247 0.177 20 0 BCADLO CCC[C@@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000772012055 585606959 /nfs/dbraw/zinc/60/69/59/585606959.db2.gz AOTOSLALLRQXTE-LLVKDONJSA-N 1 2 226.276 0.977 20 0 BCADLO CCOCCONC(=O)CCCn1cc[nH+]c1 ZINC000772691717 585621051 /nfs/dbraw/zinc/62/10/51/585621051.db2.gz LIIYIZPTOVWHPZ-UHFFFAOYSA-N 1 2 241.291 0.748 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000772775777 585623498 /nfs/dbraw/zinc/62/34/98/585623498.db2.gz AZVWAHDAAHXIMA-RULNRJAQSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000772775777 585623499 /nfs/dbraw/zinc/62/34/99/585623499.db2.gz AZVWAHDAAHXIMA-RULNRJAQSA-N 1 2 217.334 0.807 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)COC)C1 ZINC000805471143 585623613 /nfs/dbraw/zinc/62/36/13/585623613.db2.gz AQLRRFCSKVOIRI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)COC)C1 ZINC000805471143 585623614 /nfs/dbraw/zinc/62/36/14/585623614.db2.gz AQLRRFCSKVOIRI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)CCOC)C1 ZINC000805471597 585624036 /nfs/dbraw/zinc/62/40/36/585624036.db2.gz ORSFDHKDDWVMBD-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)CCOC)C1 ZINC000805471597 585624037 /nfs/dbraw/zinc/62/40/37/585624037.db2.gz ORSFDHKDDWVMBD-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCOC(C)C)C1 ZINC000805471973 585624312 /nfs/dbraw/zinc/62/43/12/585624312.db2.gz YXBVMPLPMAXPTK-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCOC(C)C)C1 ZINC000805471973 585624313 /nfs/dbraw/zinc/62/43/13/585624313.db2.gz YXBVMPLPMAXPTK-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCO)C1 ZINC000805473494 585625925 /nfs/dbraw/zinc/62/59/25/585625925.db2.gz VWZZDTCWZWGHIE-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCO)C1 ZINC000805473494 585625926 /nfs/dbraw/zinc/62/59/26/585625926.db2.gz VWZZDTCWZWGHIE-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO C/C=C/COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805474952 585627435 /nfs/dbraw/zinc/62/74/35/585627435.db2.gz VOUYMDOHEGEOOL-GFAPAMAISA-N 1 2 213.277 0.826 20 0 BCADLO C/C=C/COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805474952 585627436 /nfs/dbraw/zinc/62/74/36/585627436.db2.gz VOUYMDOHEGEOOL-GFAPAMAISA-N 1 2 213.277 0.826 20 0 BCADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805479462 585634728 /nfs/dbraw/zinc/63/47/28/585634728.db2.gz PYLDRDOWQIJPEO-ONGXEEELSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805479462 585634729 /nfs/dbraw/zinc/63/47/29/585634729.db2.gz PYLDRDOWQIJPEO-ONGXEEELSA-N 1 2 243.303 0.618 20 0 BCADLO CS/C=C/C(=O)NCCc1c[nH+]cn1C ZINC000773822944 585644481 /nfs/dbraw/zinc/64/44/81/585644481.db2.gz GZGUFTXFPUZXEH-GQCTYLIASA-N 1 2 225.317 0.956 20 0 BCADLO CCC1(C(=O)NCCc2c[nH+]cn2C)COC1 ZINC000773829181 585644512 /nfs/dbraw/zinc/64/45/12/585644512.db2.gz FKUMMWCIMWUHBN-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000773955607 585647124 /nfs/dbraw/zinc/64/71/24/585647124.db2.gz NSSWSKGISUWUQF-UHFFFAOYSA-N 1 2 232.243 0.789 20 0 BCADLO Cn1c[nH+]cc1COC(=O)Cc1ccnn1C ZINC000774123824 585651024 /nfs/dbraw/zinc/65/10/24/585651024.db2.gz SEBVGZYYDTVWOA-UHFFFAOYSA-N 1 2 234.259 0.440 20 0 BCADLO Cc1noc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000775568024 585679863 /nfs/dbraw/zinc/67/98/63/585679863.db2.gz PGPAAZOTWBNAIQ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000775568024 585679864 /nfs/dbraw/zinc/67/98/64/585679864.db2.gz PGPAAZOTWBNAIQ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000775568023 585680093 /nfs/dbraw/zinc/68/00/93/585680093.db2.gz PGPAAZOTWBNAIQ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000775568023 585680094 /nfs/dbraw/zinc/68/00/94/585680094.db2.gz PGPAAZOTWBNAIQ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000775570348 585680385 /nfs/dbraw/zinc/68/03/85/585680385.db2.gz XWOQVJNPFRNNOY-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000775570348 585680386 /nfs/dbraw/zinc/68/03/86/585680386.db2.gz XWOQVJNPFRNNOY-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)Cn1cc[nH+]c1 ZINC000775595444 585681111 /nfs/dbraw/zinc/68/11/11/585681111.db2.gz KJMIRFYHJVEPTR-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccc2nccn21 ZINC000775652737 585682569 /nfs/dbraw/zinc/68/25/69/585682569.db2.gz PYAYSZCYEMOCOD-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccc2nccn21 ZINC000775652737 585682570 /nfs/dbraw/zinc/68/25/70/585682570.db2.gz PYAYSZCYEMOCOD-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO OCC[C@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000775681140 585683055 /nfs/dbraw/zinc/68/30/55/585683055.db2.gz AZXSUHRRQRGNCI-NSHDSACASA-N 1 2 249.314 0.942 20 0 BCADLO Cn1cc(COC(=O)CCCn2cc[nH+]c2)nn1 ZINC000776386870 585697058 /nfs/dbraw/zinc/69/70/58/585697058.db2.gz OOJPHWMJUBGBJB-UHFFFAOYSA-N 1 2 249.274 0.535 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000776581332 585700867 /nfs/dbraw/zinc/70/08/67/585700867.db2.gz CXEYFTZZCKOFRI-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000776581332 585700868 /nfs/dbraw/zinc/70/08/68/585700868.db2.gz CXEYFTZZCKOFRI-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCC[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000776762763 585703833 /nfs/dbraw/zinc/70/38/33/585703833.db2.gz OZZHQYXQANOBAO-SNVBAGLBSA-N 1 2 210.281 0.737 20 0 BCADLO CCC[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000776762763 585703834 /nfs/dbraw/zinc/70/38/34/585703834.db2.gz OZZHQYXQANOBAO-SNVBAGLBSA-N 1 2 210.281 0.737 20 0 BCADLO CCC[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000776762761 585704622 /nfs/dbraw/zinc/70/46/22/585704622.db2.gz OZZHQYXQANOBAO-JTQLQIEISA-N 1 2 210.281 0.737 20 0 BCADLO CCC[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000776762761 585704623 /nfs/dbraw/zinc/70/46/23/585704623.db2.gz OZZHQYXQANOBAO-JTQLQIEISA-N 1 2 210.281 0.737 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776800335 585705660 /nfs/dbraw/zinc/70/56/60/585705660.db2.gz MFIKSOYIUCKARH-SNVBAGLBSA-N 1 2 213.277 0.470 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776800335 585705661 /nfs/dbraw/zinc/70/56/61/585705661.db2.gz MFIKSOYIUCKARH-SNVBAGLBSA-N 1 2 213.277 0.470 20 0 BCADLO Cc1ccnc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000776876637 585706583 /nfs/dbraw/zinc/70/65/83/585706583.db2.gz CFFAGFTYMFYOBD-NSHDSACASA-N 1 2 244.302 0.824 20 0 BCADLO Cc1ccnc(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000776876637 585706584 /nfs/dbraw/zinc/70/65/84/585706584.db2.gz CFFAGFTYMFYOBD-NSHDSACASA-N 1 2 244.302 0.824 20 0 BCADLO C[C@](O)(C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000805580671 585709513 /nfs/dbraw/zinc/70/95/13/585709513.db2.gz ZPHQYXQQEZYQAA-GFCCVEGCSA-N 1 2 238.287 0.977 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC1OCCO1 ZINC000777715533 585719069 /nfs/dbraw/zinc/71/90/69/585719069.db2.gz BTBYSTXNQHADSZ-SECBINFHSA-N 1 2 238.291 0.325 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@H+]1CC1OCCO1 ZINC000777715533 585719070 /nfs/dbraw/zinc/71/90/70/585719070.db2.gz BTBYSTXNQHADSZ-SECBINFHSA-N 1 2 238.291 0.325 20 0 BCADLO CCONC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000777790973 585720336 /nfs/dbraw/zinc/72/03/36/585720336.db2.gz ASTNGRDFNOUNLU-UHFFFAOYSA-N 1 2 232.243 0.949 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000777969681 585724773 /nfs/dbraw/zinc/72/47/73/585724773.db2.gz SFHSFPYDUDURAZ-JTQLQIEISA-N 1 2 210.281 0.592 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000777969681 585724774 /nfs/dbraw/zinc/72/47/74/585724774.db2.gz SFHSFPYDUDURAZ-JTQLQIEISA-N 1 2 210.281 0.592 20 0 BCADLO c1c[nH+]c([C@@H]2CCCN2CC2OCCO2)[nH]1 ZINC000778228563 585728464 /nfs/dbraw/zinc/72/84/64/585728464.db2.gz LEHRFZNTHHAZSV-VIFPVBQESA-N 1 2 223.276 0.920 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@H+]2CC2OCCO2)n1 ZINC000778228563 585728465 /nfs/dbraw/zinc/72/84/65/585728465.db2.gz LEHRFZNTHHAZSV-VIFPVBQESA-N 1 2 223.276 0.920 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CC2OCCO2)n1 ZINC000778228563 585728466 /nfs/dbraw/zinc/72/84/66/585728466.db2.gz LEHRFZNTHHAZSV-VIFPVBQESA-N 1 2 223.276 0.920 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)no1 ZINC000778254442 585729707 /nfs/dbraw/zinc/72/97/07/585729707.db2.gz ZQEQVIUDCAKTFV-MRVPVSSYSA-N 1 2 247.258 0.319 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)C1CC1 ZINC000778257310 585729771 /nfs/dbraw/zinc/72/97/71/585729771.db2.gz GGFGXFPOVYKMCA-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)C1CC1 ZINC000778257310 585729772 /nfs/dbraw/zinc/72/97/72/585729772.db2.gz GGFGXFPOVYKMCA-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC1OCCO1 ZINC000778413362 585734313 /nfs/dbraw/zinc/73/43/13/585734313.db2.gz KQPUPDXHHXIDLV-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC1OCCO1 ZINC000778413362 585734314 /nfs/dbraw/zinc/73/43/14/585734314.db2.gz KQPUPDXHHXIDLV-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO COC(=O)c1ncn(C[N@H+]2CC=CCC2)n1 ZINC000778576474 585737494 /nfs/dbraw/zinc/73/74/94/585737494.db2.gz LODXCTRZHUDSSC-UHFFFAOYSA-N 1 2 222.248 0.284 20 0 BCADLO COC(=O)c1ncn(C[N@@H+]2CC=CCC2)n1 ZINC000778576474 585737495 /nfs/dbraw/zinc/73/74/95/585737495.db2.gz LODXCTRZHUDSSC-UHFFFAOYSA-N 1 2 222.248 0.284 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cnsn1 ZINC000779094401 585745218 /nfs/dbraw/zinc/74/52/18/585745218.db2.gz CGPRHJAIHILVQK-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cn[nH]c1 ZINC000779198729 585746953 /nfs/dbraw/zinc/74/69/53/585746953.db2.gz LNMLTDKGILFFPD-LLVKDONJSA-N 1 2 221.260 0.691 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2Cc1cn[nH]c1 ZINC000779198729 585746954 /nfs/dbraw/zinc/74/69/54/585746954.db2.gz LNMLTDKGILFFPD-LLVKDONJSA-N 1 2 221.260 0.691 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cncnc1 ZINC000779198748 585747132 /nfs/dbraw/zinc/74/71/32/585747132.db2.gz MDUWOJBFTPJRSO-GFCCVEGCSA-N 1 2 233.271 0.758 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2Cc1cncnc1 ZINC000779198748 585747133 /nfs/dbraw/zinc/74/71/33/585747133.db2.gz MDUWOJBFTPJRSO-GFCCVEGCSA-N 1 2 233.271 0.758 20 0 BCADLO CC(=O)OC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000779575431 585756370 /nfs/dbraw/zinc/75/63/70/585756370.db2.gz PLDVCCWBWUFTAM-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO C[C@H](O)c1cn(C2C[NH+](Cc3ccoc3)C2)nn1 ZINC000779613191 585757348 /nfs/dbraw/zinc/75/73/48/585757348.db2.gz JBOUQOHDUIQVFO-VIFPVBQESA-N 1 2 248.286 0.981 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000779722995 585759736 /nfs/dbraw/zinc/75/97/36/585759736.db2.gz AVNKHGDVUBKPCB-JTQLQIEISA-N 1 2 247.298 0.969 20 0 BCADLO CC[C@@H](CO)C(=O)NCCn1cc[nH+]c1 ZINC000779739130 585760302 /nfs/dbraw/zinc/76/03/02/585760302.db2.gz JEGHNGFYLUHPLI-VIFPVBQESA-N 1 2 211.265 0.018 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000779736812 585760311 /nfs/dbraw/zinc/76/03/11/585760311.db2.gz KPZZLATVPKMAGK-NXEZZACHSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@H](CO)C(=O)NCc1[nH+]ccn1C ZINC000779765773 585761675 /nfs/dbraw/zinc/76/16/75/585761675.db2.gz SPXBKOHLQQAJSI-MRVPVSSYSA-N 1 2 211.265 0.055 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000779781063 585762498 /nfs/dbraw/zinc/76/24/98/585762498.db2.gz CNDPATJAZUGPLM-UHFFFAOYSA-N 1 2 225.248 0.368 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000779781063 585762499 /nfs/dbraw/zinc/76/24/99/585762499.db2.gz CNDPATJAZUGPLM-UHFFFAOYSA-N 1 2 225.248 0.368 20 0 BCADLO CC[C@H](CO)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000779789875 585763591 /nfs/dbraw/zinc/76/35/91/585763591.db2.gz YAYARJJHFZIVIS-WDEREUQCSA-N 1 2 239.319 0.654 20 0 BCADLO CCOc1ccc(CO[NH+]=C(N)CCO)nc1 ZINC000780127736 585772708 /nfs/dbraw/zinc/77/27/08/585772708.db2.gz LELLTWHTIHRTHZ-UHFFFAOYSA-N 1 2 239.275 0.861 20 0 BCADLO NC(CCO)=[NH+]OCc1ncc(C2CC2)o1 ZINC000780128290 585772996 /nfs/dbraw/zinc/77/29/96/585772996.db2.gz ZKQSNWSFIVXMLJ-UHFFFAOYSA-N 1 2 225.248 0.933 20 0 BCADLO CC(C)[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000780496546 585779446 /nfs/dbraw/zinc/77/94/46/585779446.db2.gz JNPDLGYUDAMTBY-LLVKDONJSA-N 1 2 238.335 0.907 20 0 BCADLO CC(C)[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000780496546 585779447 /nfs/dbraw/zinc/77/94/47/585779447.db2.gz JNPDLGYUDAMTBY-LLVKDONJSA-N 1 2 238.335 0.907 20 0 BCADLO Cc1ccnn1CC(=O)Nc1cc[nH+]cc1C ZINC000859268195 589025597 /nfs/dbraw/zinc/02/55/97/589025597.db2.gz ARGTVTVBOXZCLX-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO CNC(=O)CCCC(=O)OCCn1cc[nH+]c1 ZINC000781232859 585793795 /nfs/dbraw/zinc/79/37/95/585793795.db2.gz LPGKFSICQCWHAZ-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC(OC)OC ZINC000781917945 585805292 /nfs/dbraw/zinc/80/52/92/585805292.db2.gz NZXGUVSKUFSTEL-UWVGGRQHSA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC(OC)OC ZINC000781917945 585805293 /nfs/dbraw/zinc/80/52/93/585805293.db2.gz NZXGUVSKUFSTEL-UWVGGRQHSA-N 1 2 245.319 0.879 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC(OC)OC ZINC000781919108 585805330 /nfs/dbraw/zinc/80/53/30/585805330.db2.gz FMXXBGQWIWCKPD-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC(OC)OC ZINC000781919108 585805331 /nfs/dbraw/zinc/80/53/31/585805331.db2.gz FMXXBGQWIWCKPD-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO O=C(C1CC1)N1CCC[N@@H+](CCF)CC1 ZINC000781932611 585805439 /nfs/dbraw/zinc/80/54/39/585805439.db2.gz PMYZQKANNADCLR-UHFFFAOYSA-N 1 2 214.284 0.900 20 0 BCADLO O=C(C1CC1)N1CCC[N@H+](CCF)CC1 ZINC000781932611 585805440 /nfs/dbraw/zinc/80/54/40/585805440.db2.gz PMYZQKANNADCLR-UHFFFAOYSA-N 1 2 214.284 0.900 20 0 BCADLO CCc1cc(N(CC)CC(=O)NC)nc(C)[nH+]1 ZINC000782148012 585808593 /nfs/dbraw/zinc/80/85/93/585808593.db2.gz AQCNFYWOMVTWTG-UHFFFAOYSA-N 1 2 236.319 0.920 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(O)CCC1 ZINC000782258803 585813195 /nfs/dbraw/zinc/81/31/95/585813195.db2.gz PVYCQBOTAIJZHW-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](O)C1CC1 ZINC000782270660 585813380 /nfs/dbraw/zinc/81/33/80/585813380.db2.gz XGBRXOBWFNKOIS-GXSJLCMTSA-N 1 2 243.303 0.021 20 0 BCADLO Cn1ccc(CC(=O)OCCn2cc[nH+]c2)n1 ZINC000782387476 585816766 /nfs/dbraw/zinc/81/67/66/585816766.db2.gz ZWSRCSBGIPSGIJ-UHFFFAOYSA-N 1 2 234.259 0.403 20 0 BCADLO Cc1nc(N2C[C@@H]3C[C@]3(CO)C2)cc[nH+]1 ZINC000782409803 585817874 /nfs/dbraw/zinc/81/78/74/585817874.db2.gz YNALSRULHWTAGM-GXSJLCMTSA-N 1 2 205.261 0.604 20 0 BCADLO CON(C)C(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000782513312 585819230 /nfs/dbraw/zinc/81/92/30/585819230.db2.gz FUPQLCNMTUIVRM-UHFFFAOYSA-N 1 2 238.291 0.027 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCOCC2(CC2)C1 ZINC000782539457 585820026 /nfs/dbraw/zinc/82/00/26/585820026.db2.gz VIUAWKORFYMNGT-SECBINFHSA-N 1 2 211.261 0.414 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCOCC2(CC2)C1 ZINC000782539457 585820027 /nfs/dbraw/zinc/82/00/27/585820027.db2.gz VIUAWKORFYMNGT-SECBINFHSA-N 1 2 211.261 0.414 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H]1CCOC1=O ZINC000782584728 585820434 /nfs/dbraw/zinc/82/04/34/585820434.db2.gz KZJZPDHVYGGGQJ-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H]1CCOC1=O ZINC000782584728 585820435 /nfs/dbraw/zinc/82/04/35/585820435.db2.gz KZJZPDHVYGGGQJ-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccnc1 ZINC000782583323 585820496 /nfs/dbraw/zinc/82/04/96/585820496.db2.gz CVARMCHLRRECDK-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccnc1 ZINC000782583323 585820497 /nfs/dbraw/zinc/82/04/97/585820497.db2.gz CVARMCHLRRECDK-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782584130 585820750 /nfs/dbraw/zinc/82/07/50/585820750.db2.gz ILOGJWNRLLLNSO-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782584130 585820751 /nfs/dbraw/zinc/82/07/51/585820751.db2.gz ILOGJWNRLLLNSO-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1CCn1cc[nH+]c1 ZINC000782587227 585821035 /nfs/dbraw/zinc/82/10/35/585821035.db2.gz WWHNHKWZQKHEGP-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000782590684 585821081 /nfs/dbraw/zinc/82/10/81/585821081.db2.gz FYJMHDRSYWFGMK-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(CO)cc1 ZINC000782590684 585821082 /nfs/dbraw/zinc/82/10/82/585821082.db2.gz FYJMHDRSYWFGMK-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782607254 585821769 /nfs/dbraw/zinc/82/17/69/585821769.db2.gz ULJNFIOWKFOZDB-WDEREUQCSA-N 1 2 247.360 0.124 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782607254 585821770 /nfs/dbraw/zinc/82/17/70/585821770.db2.gz ULJNFIOWKFOZDB-WDEREUQCSA-N 1 2 247.360 0.124 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782619973 585822674 /nfs/dbraw/zinc/82/26/74/585822674.db2.gz JOMSDOATXYCMNX-JOYOIKCWSA-N 1 2 237.303 0.836 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782619973 585822675 /nfs/dbraw/zinc/82/26/75/585822675.db2.gz JOMSDOATXYCMNX-JOYOIKCWSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000782628529 585823280 /nfs/dbraw/zinc/82/32/80/585823280.db2.gz OOWYYAGGIKPBIV-OPRDCNLKSA-N 1 2 235.349 0.529 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000782628529 585823281 /nfs/dbraw/zinc/82/32/81/585823281.db2.gz OOWYYAGGIKPBIV-OPRDCNLKSA-N 1 2 235.349 0.529 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC000782634524 585823664 /nfs/dbraw/zinc/82/36/64/585823664.db2.gz RPIMBCFEXPMUOU-SKDRFNHKSA-N 1 2 235.287 0.761 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC000782634524 585823665 /nfs/dbraw/zinc/82/36/65/585823665.db2.gz RPIMBCFEXPMUOU-SKDRFNHKSA-N 1 2 235.287 0.761 20 0 BCADLO CO[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783094604 585827902 /nfs/dbraw/zinc/82/79/02/585827902.db2.gz BIAWRLDWNXKYHS-SECBINFHSA-N 1 2 212.249 0.851 20 0 BCADLO Cn1nccc1C(=O)OCCCn1cc[nH+]c1 ZINC000783251230 585832385 /nfs/dbraw/zinc/83/23/85/585832385.db2.gz VKWZCONPJOOLNK-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H](O)C1CC1 ZINC000783561481 585836828 /nfs/dbraw/zinc/83/68/28/585836828.db2.gz PWBSRYLDDRAQKH-JTQLQIEISA-N 1 2 224.260 0.587 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783731989 585840906 /nfs/dbraw/zinc/84/09/06/585840906.db2.gz ARWMHERLMMWSLP-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783731989 585840907 /nfs/dbraw/zinc/84/09/07/585840907.db2.gz ARWMHERLMMWSLP-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccn(C)c1 ZINC000783733397 585841241 /nfs/dbraw/zinc/84/12/41/585841241.db2.gz LDEVMGXRMIUEKQ-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccn(C)c1 ZINC000783733397 585841242 /nfs/dbraw/zinc/84/12/42/585841242.db2.gz LDEVMGXRMIUEKQ-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000783878382 585845327 /nfs/dbraw/zinc/84/53/27/585845327.db2.gz NRQCAWJAWVCTIB-QWRGUYRKSA-N 1 2 238.287 0.977 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[NH+](CCO)CC1 ZINC000784154512 585851901 /nfs/dbraw/zinc/85/19/01/585851901.db2.gz STWGGOBZYKJSFG-SNVBAGLBSA-N 1 2 232.299 0.117 20 0 BCADLO CC(C)[C@H](F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000784384633 585857440 /nfs/dbraw/zinc/85/74/40/585857440.db2.gz PXRPLILQNHQEOO-MNOVXSKESA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@H](F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000784384633 585857441 /nfs/dbraw/zinc/85/74/41/585857441.db2.gz PXRPLILQNHQEOO-MNOVXSKESA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000784535350 585862810 /nfs/dbraw/zinc/86/28/10/585862810.db2.gz VCCACVIHGXSFBA-GHMZBOCLSA-N 1 2 246.326 0.506 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000784535350 585862811 /nfs/dbraw/zinc/86/28/11/585862811.db2.gz VCCACVIHGXSFBA-GHMZBOCLSA-N 1 2 246.326 0.506 20 0 BCADLO COC(COCCNc1cc(C)[nH+]cn1)OC ZINC000784539932 585862831 /nfs/dbraw/zinc/86/28/31/585862831.db2.gz VAJWFMXCMCETSZ-UHFFFAOYSA-N 1 2 241.291 0.832 20 0 BCADLO COC(COCCNc1cc[nH+]c(C)n1)OC ZINC000784540798 585862878 /nfs/dbraw/zinc/86/28/78/585862878.db2.gz YWGDZICGUNVPAF-UHFFFAOYSA-N 1 2 241.291 0.832 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)F ZINC000784914511 585868658 /nfs/dbraw/zinc/86/86/58/585868658.db2.gz NKNNDJUKGTVKFZ-VIFPVBQESA-N 1 2 233.283 0.998 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCC1(O)CC1 ZINC000785517059 585874790 /nfs/dbraw/zinc/87/47/90/585874790.db2.gz HRVNOHJHJOOHGF-SSDOTTSWSA-N 1 2 202.254 0.435 20 0 BCADLO Cn1ccc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000785683288 585878115 /nfs/dbraw/zinc/87/81/15/585878115.db2.gz SUXCLBIOEGEZAQ-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000785980096 585884496 /nfs/dbraw/zinc/88/44/96/585884496.db2.gz WPUTXVRVMIUJHL-SNVBAGLBSA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000785980096 585884497 /nfs/dbraw/zinc/88/44/97/585884497.db2.gz WPUTXVRVMIUJHL-SNVBAGLBSA-N 1 2 244.316 0.533 20 0 BCADLO COCC[N@H+](Cc1nonc1C)[C@H]1CCOC1 ZINC000786193104 585888521 /nfs/dbraw/zinc/88/85/21/585888521.db2.gz XIKDGWRFUKDFOZ-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO COCC[N@@H+](Cc1nonc1C)[C@H]1CCOC1 ZINC000786193104 585888522 /nfs/dbraw/zinc/88/85/22/585888522.db2.gz XIKDGWRFUKDFOZ-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO COCC[N@H+](CCC(C)=O)Cc1ccnn1C ZINC000786234828 585889068 /nfs/dbraw/zinc/88/90/68/585889068.db2.gz VTNKOROGARLEDH-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO COCC[N@@H+](CCC(C)=O)Cc1ccnn1C ZINC000786234828 585889069 /nfs/dbraw/zinc/88/90/69/585889069.db2.gz VTNKOROGARLEDH-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786741888 585896980 /nfs/dbraw/zinc/89/69/80/585896980.db2.gz GEJQFYMQYKLVPT-SECBINFHSA-N 1 2 246.270 0.264 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786741891 585897141 /nfs/dbraw/zinc/89/71/41/585897141.db2.gz GEJQFYMQYKLVPT-VIFPVBQESA-N 1 2 246.270 0.264 20 0 BCADLO C[C@@H](O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786822117 585897892 /nfs/dbraw/zinc/89/78/92/585897892.db2.gz ZXWRJHSEHITOOX-ZJUUUORDSA-N 1 2 239.319 0.795 20 0 BCADLO COCCONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787117060 585901742 /nfs/dbraw/zinc/90/17/42/585901742.db2.gz WTWOIJXDOCWAKL-SECBINFHSA-N 1 2 239.275 0.140 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000787205639 585903070 /nfs/dbraw/zinc/90/30/70/585903070.db2.gz NXJXEJBRNPYKJM-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO Cc1nc(F)ccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000787205639 585903071 /nfs/dbraw/zinc/90/30/71/585903071.db2.gz NXJXEJBRNPYKJM-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)CC(F)(F)F)CCCN1 ZINC000787215896 585903078 /nfs/dbraw/zinc/90/30/78/585903078.db2.gz OMJGOGVVXFXIQH-ZETCQYMHSA-N 1 2 240.225 0.122 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCCN1 ZINC000787215896 585903079 /nfs/dbraw/zinc/90/30/79/585903079.db2.gz OMJGOGVVXFXIQH-ZETCQYMHSA-N 1 2 240.225 0.122 20 0 BCADLO O=C(NOCC(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC000787270013 585904314 /nfs/dbraw/zinc/90/43/14/585904314.db2.gz SKZVLTDAZWTUOJ-ZETCQYMHSA-N 1 2 245.229 0.758 20 0 BCADLO O=C(NCCCCO)c1cccc2[nH+]ccn21 ZINC000787607366 585912828 /nfs/dbraw/zinc/91/28/28/585912828.db2.gz MFCQPJVSAQBDCG-UHFFFAOYSA-N 1 2 233.271 0.837 20 0 BCADLO C[N@H+](CCO)Cc1ncc(C2OCCO2)s1 ZINC000787770483 585915755 /nfs/dbraw/zinc/91/57/55/585915755.db2.gz RPWYDANZLLOOBZ-UHFFFAOYSA-N 1 2 244.316 0.613 20 0 BCADLO C[N@@H+](CCO)Cc1ncc(C2OCCO2)s1 ZINC000787770483 585915756 /nfs/dbraw/zinc/91/57/56/585915756.db2.gz RPWYDANZLLOOBZ-UHFFFAOYSA-N 1 2 244.316 0.613 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000788276231 585919893 /nfs/dbraw/zinc/91/98/93/585919893.db2.gz UKDINCOZVJMTCH-BSKOKIOFSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000788276231 585919894 /nfs/dbraw/zinc/91/98/94/585919894.db2.gz UKDINCOZVJMTCH-BSKOKIOFSA-N 1 2 240.303 0.316 20 0 BCADLO O=C(CC1OCCO1)NCCCn1cc[nH+]c1 ZINC000788626060 585928025 /nfs/dbraw/zinc/92/80/25/585928025.db2.gz QUNOGYNUAAHNNF-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO [O-]C1=C[NH+]=C(N[NH2+]CCc2ccncc2)C1 ZINC000789097750 585935084 /nfs/dbraw/zinc/93/50/84/585935084.db2.gz UCJPTZPETPLSDF-UHFFFAOYSA-N 1 2 218.260 0.572 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000789305950 585939561 /nfs/dbraw/zinc/93/95/61/585939561.db2.gz FQVWEAGNXLCZDY-PWSUYJOCSA-N 1 2 236.319 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000789305950 585939562 /nfs/dbraw/zinc/93/95/62/585939562.db2.gz FQVWEAGNXLCZDY-PWSUYJOCSA-N 1 2 236.319 0.673 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)C(=O)OC ZINC000789574075 585944270 /nfs/dbraw/zinc/94/42/70/585944270.db2.gz WGUBNIWNMZUKCV-MXWKQRLJSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)C(=O)OC ZINC000789574073 585944322 /nfs/dbraw/zinc/94/43/22/585944322.db2.gz WGUBNIWNMZUKCV-AXFHLTTASA-N 1 2 245.319 0.579 20 0 BCADLO NC(=[NH+]OCc1ccno1)[C@H]1CCCO1 ZINC000789605056 585945817 /nfs/dbraw/zinc/94/58/17/585945817.db2.gz DOYKFQXTLNXCBI-MRVPVSSYSA-N 1 2 211.221 0.852 20 0 BCADLO CC(C)(O)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789609437 585946289 /nfs/dbraw/zinc/94/62/89/585946289.db2.gz NLYJUVIZCAHRMT-QMMMGPOBSA-N 1 2 216.281 0.825 20 0 BCADLO NC(=[NH+]OC[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000789607899 585946309 /nfs/dbraw/zinc/94/63/09/585946309.db2.gz JJQWJJHTWQSKDT-RKDXNWHRSA-N 1 2 214.265 0.700 20 0 BCADLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)NC1CC1 ZINC000789607884 585946444 /nfs/dbraw/zinc/94/64/44/585946444.db2.gz JALZJHXPGYEFIQ-CBAPKCEASA-N 1 2 241.291 0.331 20 0 BCADLO COCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612813 585946519 /nfs/dbraw/zinc/94/65/19/585946519.db2.gz QYUBIQJHOCDJLR-QMMMGPOBSA-N 1 2 202.254 0.700 20 0 BCADLO CCOCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613404 585946937 /nfs/dbraw/zinc/94/69/37/585946937.db2.gz WZDLMBPGIXIYCO-QMMMGPOBSA-N 1 2 202.254 0.700 20 0 BCADLO NC(=[NH+]OCc1ccon1)[C@@H]1CCCO1 ZINC000789626042 585947387 /nfs/dbraw/zinc/94/73/87/585947387.db2.gz CUEYYEOXFQQIAG-QMMMGPOBSA-N 1 2 211.221 0.852 20 0 BCADLO CO[C@@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000789775935 585949769 /nfs/dbraw/zinc/94/97/69/585949769.db2.gz FDXQZRYFCVUCJO-VIFPVBQESA-N 1 2 226.276 0.931 20 0 BCADLO CO[C@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000789775934 585949846 /nfs/dbraw/zinc/94/98/46/585949846.db2.gz FDXQZRYFCVUCJO-SECBINFHSA-N 1 2 226.276 0.931 20 0 BCADLO CCOCC(=O)OCCCc1[nH+]ccn1C ZINC000789791544 585950146 /nfs/dbraw/zinc/95/01/46/585950146.db2.gz LVKHYQWALDCYDM-UHFFFAOYSA-N 1 2 226.276 0.932 20 0 BCADLO Cc1nc(COC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC000789804796 585950842 /nfs/dbraw/zinc/95/08/42/585950842.db2.gz VMOVIPWITHBYMZ-SNVBAGLBSA-N 1 2 240.307 0.743 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000790013040 585956409 /nfs/dbraw/zinc/95/64/09/585956409.db2.gz UMKVHRNYPXZUND-DTWKUNHWSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000790013040 585956410 /nfs/dbraw/zinc/95/64/10/585956410.db2.gz UMKVHRNYPXZUND-DTWKUNHWSA-N 1 2 237.307 0.278 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000790431158 585964508 /nfs/dbraw/zinc/96/45/08/585964508.db2.gz RYPZWEHZXOPEQZ-JTQLQIEISA-N 1 2 224.308 0.983 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000790431158 585964509 /nfs/dbraw/zinc/96/45/09/585964509.db2.gz RYPZWEHZXOPEQZ-JTQLQIEISA-N 1 2 224.308 0.983 20 0 BCADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1nnnn1C1CC1 ZINC000791008214 585972099 /nfs/dbraw/zinc/97/20/99/585972099.db2.gz FXMDRHQZNRICPD-ZETCQYMHSA-N 1 2 233.279 0.582 20 0 BCADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000791010736 585972166 /nfs/dbraw/zinc/97/21/66/585972166.db2.gz JAJLMEMZCUUPSO-QMMMGPOBSA-N 1 2 247.306 0.890 20 0 BCADLO C[C@@H](O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000791883430 585990131 /nfs/dbraw/zinc/99/01/31/585990131.db2.gz JBYMWSYKQRPSBU-MRVPVSSYSA-N 1 2 220.228 0.872 20 0 BCADLO C[C@H](O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000791927741 585991557 /nfs/dbraw/zinc/99/15/57/585991557.db2.gz BGBLMYKFXGOJQD-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO C[C@H](O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000791927741 585991558 /nfs/dbraw/zinc/99/15/58/585991558.db2.gz BGBLMYKFXGOJQD-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO C[C@@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792873390 586006102 /nfs/dbraw/zinc/00/61/02/586006102.db2.gz AFULASYNDOBIGW-SECBINFHSA-N 1 2 225.263 0.710 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NOCC(F)F ZINC000792949589 586007647 /nfs/dbraw/zinc/00/76/47/586007647.db2.gz BVORQVPIRWJLCV-UHFFFAOYSA-N 1 2 234.206 0.416 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1COC1 ZINC000793251340 586014992 /nfs/dbraw/zinc/01/49/92/586014992.db2.gz QEEBVLDNKMKYNI-UHFFFAOYSA-N 1 2 210.233 0.152 20 0 BCADLO Cc1cnn(CC(=O)OCCc2c[nH+]cn2C)c1 ZINC000793249482 586015136 /nfs/dbraw/zinc/01/51/36/586015136.db2.gz IEAMBSPGBHBJFX-UHFFFAOYSA-N 1 2 248.286 0.711 20 0 BCADLO COC/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000793588744 586023667 /nfs/dbraw/zinc/02/36/67/586023667.db2.gz LYHWNYFOVJDIPH-PKRMOACSSA-N 1 2 235.287 0.586 20 0 BCADLO COCC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000793588744 586023668 /nfs/dbraw/zinc/02/36/68/586023668.db2.gz LYHWNYFOVJDIPH-PKRMOACSSA-N 1 2 235.287 0.586 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000793609114 586023954 /nfs/dbraw/zinc/02/39/54/586023954.db2.gz AZHMDFPJUJUTOJ-NEPJUHHUSA-N 1 2 245.282 0.468 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000793609114 586023955 /nfs/dbraw/zinc/02/39/55/586023955.db2.gz AZHMDFPJUJUTOJ-NEPJUHHUSA-N 1 2 245.282 0.468 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000794513253 586041039 /nfs/dbraw/zinc/04/10/39/586041039.db2.gz LDIVLMJUWQZYTO-JOYOIKCWSA-N 1 2 236.319 0.742 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000794513253 586041040 /nfs/dbraw/zinc/04/10/40/586041040.db2.gz LDIVLMJUWQZYTO-JOYOIKCWSA-N 1 2 236.319 0.742 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@@H]1CCOC1 ZINC000794518692 586041354 /nfs/dbraw/zinc/04/13/54/586041354.db2.gz BJAFDXCPHHKMGH-MRVPVSSYSA-N 1 2 202.254 0.699 20 0 BCADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)ncn1 ZINC000794529806 586042206 /nfs/dbraw/zinc/04/22/06/586042206.db2.gz SVBAATSNDLKZAT-UHFFFAOYSA-N 1 2 221.304 0.988 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC1OCCO1 ZINC000794714266 586047246 /nfs/dbraw/zinc/04/72/46/586047246.db2.gz DIDGAWYRYSEVCY-UHFFFAOYSA-N 1 2 218.253 0.283 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@@H]21 ZINC000794951063 586057376 /nfs/dbraw/zinc/05/73/76/586057376.db2.gz GLFRFMRLUQAKCC-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@@H]21 ZINC000794951063 586057378 /nfs/dbraw/zinc/05/73/78/586057378.db2.gz GLFRFMRLUQAKCC-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@@H]21 ZINC000794975568 586060411 /nfs/dbraw/zinc/06/04/11/586060411.db2.gz ZZIWOXGUAGCTGX-GDNZZTSVSA-N 1 2 249.314 0.579 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@@H]21 ZINC000794975568 586060412 /nfs/dbraw/zinc/06/04/12/586060412.db2.gz ZZIWOXGUAGCTGX-GDNZZTSVSA-N 1 2 249.314 0.579 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ncccn3)C[C@@H]21 ZINC000794986272 586061587 /nfs/dbraw/zinc/06/15/87/586061587.db2.gz XNEOLWBJEHSZLH-JZYVYDRUSA-N 1 2 233.271 0.327 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ncccn3)C[C@@H]21 ZINC000794986272 586061588 /nfs/dbraw/zinc/06/15/88/586061588.db2.gz XNEOLWBJEHSZLH-JZYVYDRUSA-N 1 2 233.271 0.327 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@@H]21 ZINC000794987349 586061754 /nfs/dbraw/zinc/06/17/54/586061754.db2.gz RGKYIYCWWWUENN-URLYPYJESA-N 1 2 235.287 0.271 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@@H]21 ZINC000794987349 586061756 /nfs/dbraw/zinc/06/17/56/586061756.db2.gz RGKYIYCWWWUENN-URLYPYJESA-N 1 2 235.287 0.271 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1cnc(C)nc1 ZINC000795214471 586072026 /nfs/dbraw/zinc/07/20/26/586072026.db2.gz IYLAQRFQPOCRKV-ZETCQYMHSA-N 1 2 224.264 0.818 20 0 BCADLO Cn1ncc(C[N@@H+]2CCc3nc[nH]c3C2)n1 ZINC000859305223 589029883 /nfs/dbraw/zinc/02/98/83/589029883.db2.gz DBHSDUMLHRVQKW-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ncc(C[N@H+]2CCc3nc[nH]c3C2)n1 ZINC000859305223 589029884 /nfs/dbraw/zinc/02/98/84/589029884.db2.gz DBHSDUMLHRVQKW-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCc3nc[nH]c3C2)O1 ZINC000859305478 589029897 /nfs/dbraw/zinc/02/98/97/589029897.db2.gz GVNPQIYAUMSZKK-VIFPVBQESA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCc3nc[nH]c3C2)O1 ZINC000859305478 589029898 /nfs/dbraw/zinc/02/98/98/589029898.db2.gz GVNPQIYAUMSZKK-VIFPVBQESA-N 1 2 237.303 0.919 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CC(C)(C)OC1=O ZINC000795655181 586090483 /nfs/dbraw/zinc/09/04/83/586090483.db2.gz VDIHPKWRMAYLEJ-SECBINFHSA-N 1 2 237.303 0.946 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795699701 586091557 /nfs/dbraw/zinc/09/15/57/586091557.db2.gz PEWQSKALKOPNML-VIFPVBQESA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)CC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795699701 586091558 /nfs/dbraw/zinc/09/15/58/586091558.db2.gz PEWQSKALKOPNML-VIFPVBQESA-N 1 2 213.277 0.991 20 0 BCADLO Cc1ccnc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000795796494 586092432 /nfs/dbraw/zinc/09/24/32/586092432.db2.gz JYQCZWFSHRMECC-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO O=C(CCC(F)F)OCC[NH+]1CCOCC1 ZINC000796012589 586095378 /nfs/dbraw/zinc/09/53/78/586095378.db2.gz ZOMDCZJSZKLXQI-UHFFFAOYSA-N 1 2 237.246 0.907 20 0 BCADLO CC[N@@H+]1CCN(CCS(=O)(=O)CC)[C@H](C)C1 ZINC000796315210 586100274 /nfs/dbraw/zinc/10/02/74/586100274.db2.gz HQUOFMYTNXVJHS-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[N@H+]1CCN(CCS(=O)(=O)CC)[C@H](C)C1 ZINC000796315210 586100275 /nfs/dbraw/zinc/10/02/75/586100275.db2.gz HQUOFMYTNXVJHS-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO FCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796340771 586101317 /nfs/dbraw/zinc/10/13/17/586101317.db2.gz MJPXOSVZCDEFJR-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796340771 586101318 /nfs/dbraw/zinc/10/13/18/586101318.db2.gz MJPXOSVZCDEFJR-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO CC[C@@H]1C[N@H+](CC(OC)OC)C[C@H](C)[S@@]1=O ZINC000796368737 586101579 /nfs/dbraw/zinc/10/15/79/586101579.db2.gz WQIRXYDWMCCAFZ-IEVXNVSRSA-N 1 2 249.376 0.837 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(OC)OC)C[C@H](C)[S@@]1=O ZINC000796368737 586101580 /nfs/dbraw/zinc/10/15/80/586101580.db2.gz WQIRXYDWMCCAFZ-IEVXNVSRSA-N 1 2 249.376 0.837 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)C1(CO)CC1 ZINC000796499988 586105009 /nfs/dbraw/zinc/10/50/09/586105009.db2.gz CLFMAWFNUVKRFG-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)C1(CO)CC1 ZINC000796499988 586105010 /nfs/dbraw/zinc/10/50/10/586105010.db2.gz CLFMAWFNUVKRFG-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000798195015 586139435 /nfs/dbraw/zinc/13/94/35/586139435.db2.gz KUULXMRADSFZJJ-QLJPJBMISA-N 1 2 241.360 0.968 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000798195015 586139436 /nfs/dbraw/zinc/13/94/36/586139436.db2.gz KUULXMRADSFZJJ-QLJPJBMISA-N 1 2 241.360 0.968 20 0 BCADLO O=C1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C(=O)N1 ZINC000799146552 586162263 /nfs/dbraw/zinc/16/22/63/586162263.db2.gz GVEZLIWRAAXBHB-ZETCQYMHSA-N 1 2 244.241 0.523 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799146029 586162365 /nfs/dbraw/zinc/16/23/65/586162365.db2.gz VUJDZMLIFLGKHZ-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799146029 586162366 /nfs/dbraw/zinc/16/23/66/586162366.db2.gz VUJDZMLIFLGKHZ-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cc2cnns2)C1 ZINC000859323451 589031781 /nfs/dbraw/zinc/03/17/81/589031781.db2.gz DJWRJMHMWXTTHD-MRVPVSSYSA-N 1 2 235.259 0.740 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cnns2)C1 ZINC000859323451 589031782 /nfs/dbraw/zinc/03/17/82/589031782.db2.gz DJWRJMHMWXTTHD-MRVPVSSYSA-N 1 2 235.259 0.740 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@@H]1CCNC1=O ZINC000799353385 586173771 /nfs/dbraw/zinc/17/37/71/586173771.db2.gz NDKLOWRFEVDWRV-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CC)[C@@H]1CCNC1=O ZINC000799353385 586173772 /nfs/dbraw/zinc/17/37/72/586173772.db2.gz NDKLOWRFEVDWRV-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](CCN2CCCC2)C1 ZINC000800465929 586221579 /nfs/dbraw/zinc/22/15/79/586221579.db2.gz IDLLCKJGAUGXDP-LLVKDONJSA-N 1 2 246.376 0.201 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCN2CCCC2)C1 ZINC000800465929 586221580 /nfs/dbraw/zinc/22/15/80/586221580.db2.gz IDLLCKJGAUGXDP-LLVKDONJSA-N 1 2 246.376 0.201 20 0 BCADLO Cc1ccnn1CC(=O)NCc1c[nH+]c[nH]1 ZINC000859497197 589040575 /nfs/dbraw/zinc/04/05/75/589040575.db2.gz ACWKJKUUNZAYAQ-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1ccnn1CC(=O)NCc1c[nH]c[nH+]1 ZINC000859497197 589040577 /nfs/dbraw/zinc/04/05/77/589040577.db2.gz ACWKJKUUNZAYAQ-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561667 586262339 /nfs/dbraw/zinc/26/23/39/586262339.db2.gz SJQSLJZLCFPXET-SFYZADRCSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561667 586262341 /nfs/dbraw/zinc/26/23/41/586262341.db2.gz SJQSLJZLCFPXET-SFYZADRCSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561666 586262875 /nfs/dbraw/zinc/26/28/75/586262875.db2.gz SJQSLJZLCFPXET-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561666 586262876 /nfs/dbraw/zinc/26/28/76/586262876.db2.gz SJQSLJZLCFPXET-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO FC(F)[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000801564519 586263611 /nfs/dbraw/zinc/26/36/11/586263611.db2.gz PEEJUHNXGVBHPV-VIFPVBQESA-N 1 2 231.246 0.849 20 0 BCADLO FC(F)[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000801564518 586263697 /nfs/dbraw/zinc/26/36/97/586263697.db2.gz PEEJUHNXGVBHPV-SECBINFHSA-N 1 2 231.246 0.849 20 0 BCADLO NC(=O)c1cc(C(=O)OCCn2cc[nH+]c2)c[nH]1 ZINC000802228210 586296497 /nfs/dbraw/zinc/29/64/97/586296497.db2.gz LOQISHUTYNTATH-UHFFFAOYSA-N 1 2 248.242 0.167 20 0 BCADLO COCC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC000802237805 586297703 /nfs/dbraw/zinc/29/77/03/586297703.db2.gz CYLYNNRQCPWIEN-JTQLQIEISA-N 1 2 245.294 1.000 20 0 BCADLO COCC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802237805 586297704 /nfs/dbraw/zinc/29/77/04/586297704.db2.gz CYLYNNRQCPWIEN-JTQLQIEISA-N 1 2 245.294 1.000 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802233568 586297878 /nfs/dbraw/zinc/29/78/78/586297878.db2.gz ZIFSNDKQAPVPLX-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802233568 586297880 /nfs/dbraw/zinc/29/78/80/586297880.db2.gz ZIFSNDKQAPVPLX-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO CO[C@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802242565 586299171 /nfs/dbraw/zinc/29/91/71/586299171.db2.gz LRRLISHDOGJYKD-MNOVXSKESA-N 1 2 245.294 0.998 20 0 BCADLO CO[C@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802242565 586299174 /nfs/dbraw/zinc/29/91/74/586299174.db2.gz LRRLISHDOGJYKD-MNOVXSKESA-N 1 2 245.294 0.998 20 0 BCADLO CC(C)OCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802244532 586299327 /nfs/dbraw/zinc/29/93/27/586299327.db2.gz PSRBIMGDOFUMOX-SNVBAGLBSA-N 1 2 233.283 0.998 20 0 BCADLO CC(C)OCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802244532 586299328 /nfs/dbraw/zinc/29/93/28/586299328.db2.gz PSRBIMGDOFUMOX-SNVBAGLBSA-N 1 2 233.283 0.998 20 0 BCADLO C[C@H]1CCN(C[NH+]2CCSCC2)C1=O ZINC000839966458 586305042 /nfs/dbraw/zinc/30/50/42/586305042.db2.gz WMAMUVWURIQALB-VIFPVBQESA-N 1 2 214.334 0.861 20 0 BCADLO CC[N@H+](CCOC)CN1Cc2cccnc2C1=O ZINC000839974622 586308559 /nfs/dbraw/zinc/30/85/59/586308559.db2.gz MMXGSKYLRREQBL-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO CC[N@@H+](CCOC)CN1Cc2cccnc2C1=O ZINC000839974622 586308561 /nfs/dbraw/zinc/30/85/61/586308561.db2.gz MMXGSKYLRREQBL-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@H](CC)OC)C1 ZINC000802774071 586313120 /nfs/dbraw/zinc/31/31/20/586313120.db2.gz CMJTXCWZLYLUAR-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)C1(C)COC1 ZINC000802786407 586313895 /nfs/dbraw/zinc/31/38/95/586313895.db2.gz IZLOAOXTLLZCSP-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO O=C(COC(F)F)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802820863 586316232 /nfs/dbraw/zinc/31/62/32/586316232.db2.gz FXZHDBJCAVUCHS-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO O=C(COC(F)F)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802820863 586316235 /nfs/dbraw/zinc/31/62/35/586316235.db2.gz FXZHDBJCAVUCHS-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840015964 586373049 /nfs/dbraw/zinc/37/30/49/586373049.db2.gz SSEQZFKBTUTRDG-KXNHARMFSA-N 1 2 236.315 0.818 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840015964 586373051 /nfs/dbraw/zinc/37/30/51/586373051.db2.gz SSEQZFKBTUTRDG-KXNHARMFSA-N 1 2 236.315 0.818 20 0 BCADLO CS(=O)(=O)CC[NH+](C1CC1)C1CC1 ZINC000859621055 589049026 /nfs/dbraw/zinc/04/90/26/589049026.db2.gz NEPBMRWNNINIGL-UHFFFAOYSA-N 1 2 203.307 0.658 20 0 BCADLO C/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336992 586392028 /nfs/dbraw/zinc/39/20/28/586392028.db2.gz SUIZNYIHRPRIHL-PKRMOACSSA-N 1 2 205.261 0.890 20 0 BCADLO C/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336993 586392082 /nfs/dbraw/zinc/39/20/82/586392082.db2.gz SUIZNYIHRPRIHL-XADBCAIWSA-N 1 2 205.261 0.890 20 0 BCADLO CCc1nc(N(CC)CC(=O)NC)cc(C)[nH+]1 ZINC000804532019 586397935 /nfs/dbraw/zinc/39/79/35/586397935.db2.gz MFGBWCDQSQMSJU-UHFFFAOYSA-N 1 2 236.319 0.920 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NOCCO ZINC000806537598 586413892 /nfs/dbraw/zinc/41/38/92/586413892.db2.gz RSLRXRXOHBEDES-UHFFFAOYSA-N 1 2 225.248 0.744 20 0 BCADLO CC1(C)CCN(CN2CCn3c[nH+]cc3C2)C1=O ZINC000840073976 586418535 /nfs/dbraw/zinc/41/85/35/586418535.db2.gz IRKHHNVPZUWTAZ-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000840082590 586422707 /nfs/dbraw/zinc/42/27/07/586422707.db2.gz DTHOHGJJSTZOIY-SECBINFHSA-N 1 2 240.303 0.450 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000840082590 586422709 /nfs/dbraw/zinc/42/27/09/586422709.db2.gz DTHOHGJJSTZOIY-SECBINFHSA-N 1 2 240.303 0.450 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840082927 586423035 /nfs/dbraw/zinc/42/30/35/586423035.db2.gz IZGRIGCWTCATSX-AXFHLTTASA-N 1 2 224.304 0.676 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840082927 586423037 /nfs/dbraw/zinc/42/30/37/586423037.db2.gz IZGRIGCWTCATSX-AXFHLTTASA-N 1 2 224.304 0.676 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](CCO)C1CC1 ZINC000807082146 586423221 /nfs/dbraw/zinc/42/32/21/586423221.db2.gz FNOCZZAILGRHMI-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CCC(C)(C)C1=O ZINC000840083000 586423272 /nfs/dbraw/zinc/42/32/72/586423272.db2.gz JROHAQWVHAITES-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CCC(C)(C)C1=O ZINC000840083000 586423273 /nfs/dbraw/zinc/42/32/73/586423273.db2.gz JROHAQWVHAITES-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H](CCO)C1CC1 ZINC000807083390 586423285 /nfs/dbraw/zinc/42/32/85/586423285.db2.gz YOUBVQVBGRCNLG-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO C[C@H]1CCOCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000807192204 586425033 /nfs/dbraw/zinc/42/50/33/586425033.db2.gz FCBISTWFTMKMJZ-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOC1CCCC1 ZINC000807191886 586425128 /nfs/dbraw/zinc/42/51/28/586425128.db2.gz CWXBLGGIEUMGFM-UHFFFAOYSA-N 1 2 223.276 0.953 20 0 BCADLO CC(C)C1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000807358214 586436753 /nfs/dbraw/zinc/43/67/53/586436753.db2.gz VXVKOZQOJAFQAW-UHFFFAOYSA-N 1 2 237.303 0.572 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840103831 586447250 /nfs/dbraw/zinc/44/72/50/586447250.db2.gz OZLAXNZZJJHZJK-PWSUYJOCSA-N 1 2 242.294 0.627 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840103831 586447251 /nfs/dbraw/zinc/44/72/51/586447251.db2.gz OZLAXNZZJJHZJK-PWSUYJOCSA-N 1 2 242.294 0.627 20 0 BCADLO F[C@@H]1CC[N@H+](CN2CCOC2=S)C1 ZINC000840105534 586447676 /nfs/dbraw/zinc/44/76/76/586447676.db2.gz ZATMBFAUYRYVMU-SSDOTTSWSA-N 1 2 204.270 0.605 20 0 BCADLO F[C@@H]1CC[N@@H+](CN2CCOC2=S)C1 ZINC000840105534 586447678 /nfs/dbraw/zinc/44/76/78/586447678.db2.gz ZATMBFAUYRYVMU-SSDOTTSWSA-N 1 2 204.270 0.605 20 0 BCADLO CC1(C)CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000808155292 586465352 /nfs/dbraw/zinc/46/53/52/586465352.db2.gz UYWPQPFSEYQHPA-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO CC1(C)CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000808155292 586465353 /nfs/dbraw/zinc/46/53/53/586465353.db2.gz UYWPQPFSEYQHPA-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)[C@H]1C ZINC000808165438 586465390 /nfs/dbraw/zinc/46/53/90/586465390.db2.gz DDQIFPBQTWLLPI-BDAKNGLRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)[C@H]1C ZINC000808165438 586465391 /nfs/dbraw/zinc/46/53/91/586465391.db2.gz DDQIFPBQTWLLPI-BDAKNGLRSA-N 1 2 237.307 0.463 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=O ZINC000808231012 586468120 /nfs/dbraw/zinc/46/81/20/586468120.db2.gz VUXNZBDLYVSOOG-NSHDSACASA-N 1 2 236.319 0.661 20 0 BCADLO Cn1cnn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=O ZINC000808231012 586468122 /nfs/dbraw/zinc/46/81/22/586468122.db2.gz VUXNZBDLYVSOOG-NSHDSACASA-N 1 2 236.319 0.661 20 0 BCADLO Cn1c[nH+]c(CN[C@H](C(N)=O)c2ccccc2)c1 ZINC000808376849 586469959 /nfs/dbraw/zinc/46/99/59/586469959.db2.gz LYJHBCIQQSRVKZ-LBPRGKRZSA-N 1 2 244.298 0.736 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000808385385 586470074 /nfs/dbraw/zinc/47/00/74/586470074.db2.gz PKXYDXBXHRCJOA-UWVGGRQHSA-N 1 2 238.335 0.813 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3c[nH]nc3c2)n1 ZINC000808418455 586471797 /nfs/dbraw/zinc/47/17/97/586471797.db2.gz SFEOCOHATBOGTA-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cn1cc(C(=O)OCc2cc[nH+]c(N)c2)nn1 ZINC000808659232 586481590 /nfs/dbraw/zinc/48/15/90/586481590.db2.gz DJXIMNIWQAIHSZ-UHFFFAOYSA-N 1 2 233.231 0.149 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000808719305 586484309 /nfs/dbraw/zinc/48/43/09/586484309.db2.gz UWXWIKNMRQAAKV-VIFPVBQESA-N 1 2 212.293 0.422 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000808719305 586484310 /nfs/dbraw/zinc/48/43/10/586484310.db2.gz UWXWIKNMRQAAKV-VIFPVBQESA-N 1 2 212.293 0.422 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000808719304 586484399 /nfs/dbraw/zinc/48/43/99/586484399.db2.gz UWXWIKNMRQAAKV-SECBINFHSA-N 1 2 212.293 0.422 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000808719304 586484400 /nfs/dbraw/zinc/48/44/00/586484400.db2.gz UWXWIKNMRQAAKV-SECBINFHSA-N 1 2 212.293 0.422 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)C ZINC000808729348 586484890 /nfs/dbraw/zinc/48/48/90/586484890.db2.gz YQMSTTWOXWWLTE-JTQLQIEISA-N 1 2 226.320 0.812 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)C ZINC000808729348 586484892 /nfs/dbraw/zinc/48/48/92/586484892.db2.gz YQMSTTWOXWWLTE-JTQLQIEISA-N 1 2 226.320 0.812 20 0 BCADLO CON(C)C(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000808746991 586487489 /nfs/dbraw/zinc/48/74/89/586487489.db2.gz WXANHEGVVQIFSI-ZETCQYMHSA-N 1 2 242.279 0.439 20 0 BCADLO Cc1nonc1C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000809745077 586516247 /nfs/dbraw/zinc/51/62/47/586516247.db2.gz LOFOXQFPDAKGCU-UFBFGSQYSA-N 1 2 236.319 0.950 20 0 BCADLO Cc1nonc1C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000809745073 586516277 /nfs/dbraw/zinc/51/62/77/586516277.db2.gz LOFOXQFPDAKGCU-PELKAZGASA-N 1 2 236.319 0.950 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000809968864 586524085 /nfs/dbraw/zinc/52/40/85/586524085.db2.gz ISPHQVLVVROTRB-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000809968864 586524086 /nfs/dbraw/zinc/52/40/86/586524086.db2.gz ISPHQVLVVROTRB-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000809940183 586524766 /nfs/dbraw/zinc/52/47/66/586524766.db2.gz FKHLZJNZXZKUGE-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000809940183 586524768 /nfs/dbraw/zinc/52/47/68/586524768.db2.gz FKHLZJNZXZKUGE-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO CC(C)OCC(N)=[NH+]OCc1cnnn1C ZINC000809994548 586529464 /nfs/dbraw/zinc/52/94/64/586529464.db2.gz CGFVVRNUSNIVPM-UHFFFAOYSA-N 1 2 227.268 0.239 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCO)C[C@H](C)O ZINC000810039766 586532117 /nfs/dbraw/zinc/53/21/17/586532117.db2.gz HMLLLYYPHFQYGN-VHSXEESVSA-N 1 2 233.308 0.003 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCO)C[C@H](C)O ZINC000810039766 586532118 /nfs/dbraw/zinc/53/21/18/586532118.db2.gz HMLLLYYPHFQYGN-VHSXEESVSA-N 1 2 233.308 0.003 20 0 BCADLO C[C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C ZINC000810091545 586533585 /nfs/dbraw/zinc/53/35/85/586533585.db2.gz AKBOAEPUEMSTEU-RITPCOANSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000810091545 586533587 /nfs/dbraw/zinc/53/35/87/586533587.db2.gz AKBOAEPUEMSTEU-RITPCOANSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@H]1CN(CC[NH2+][C@@]2(C)CCOC2=O)CCO1 ZINC000810096643 586533872 /nfs/dbraw/zinc/53/38/72/586533872.db2.gz SAZFUKCSTSDTTB-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@]1([NH2+]C[C@@H]2CC3(CC3)C(=O)O2)CCOC1=O ZINC000810096864 586533837 /nfs/dbraw/zinc/53/38/37/586533837.db2.gz YEYIEPCBMIUQEH-GZMMTYOYSA-N 1 2 239.271 0.377 20 0 BCADLO C[C@@]1([NH2+]C[C@H]2CC3(CC3)C(=O)O2)CCOC1=O ZINC000810096867 586533868 /nfs/dbraw/zinc/53/38/68/586533868.db2.gz YEYIEPCBMIUQEH-LDYMZIIASA-N 1 2 239.271 0.377 20 0 BCADLO COC(=O)CC1(C[NH2+][C@@]2(C)CCOC2=O)CC1 ZINC000810100028 586534399 /nfs/dbraw/zinc/53/43/99/586534399.db2.gz ZWDDMBOSVJINPS-NSHDSACASA-N 1 2 241.287 0.625 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](F)C(F)(F)F ZINC000810386200 586538824 /nfs/dbraw/zinc/53/88/24/586538824.db2.gz PXOFJPVEOFRSKJ-RXMQYKEDSA-N 1 2 225.145 0.926 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1c[nH+]cn1C ZINC000810757419 586546430 /nfs/dbraw/zinc/54/64/30/586546430.db2.gz NJHAWAMTHQWTDE-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cn1cnc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000811226181 586557473 /nfs/dbraw/zinc/55/74/73/586557473.db2.gz BAAQBJYWSGGOFX-UHFFFAOYSA-N 1 2 232.243 0.754 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC000811527220 586560750 /nfs/dbraw/zinc/56/07/50/586560750.db2.gz JXIDRSPIHZAVBG-NTSWFWBYSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000811527220 586560751 /nfs/dbraw/zinc/56/07/51/586560751.db2.gz JXIDRSPIHZAVBG-NTSWFWBYSA-N 1 2 230.205 0.953 20 0 BCADLO S=C(NC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811713302 586566010 /nfs/dbraw/zinc/56/60/10/586566010.db2.gz YYYIYXGDTLGCIK-MRVPVSSYSA-N 1 2 236.344 0.894 20 0 BCADLO S=C(NC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811713302 586566011 /nfs/dbraw/zinc/56/60/11/586566011.db2.gz YYYIYXGDTLGCIK-MRVPVSSYSA-N 1 2 236.344 0.894 20 0 BCADLO CCC1(C)C[NH+](CCS(C)(=O)=O)C1 ZINC000812312677 586573171 /nfs/dbraw/zinc/57/31/71/586573171.db2.gz CHCPIESBEZWRDU-UHFFFAOYSA-N 1 2 205.323 0.763 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC(C)(F)C1 ZINC000812487612 586578222 /nfs/dbraw/zinc/57/82/22/586578222.db2.gz RCYLFWYXQUOKKG-UHFFFAOYSA-N 1 2 226.255 0.674 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NOC1CCC1 ZINC000812793929 586585915 /nfs/dbraw/zinc/58/59/15/586585915.db2.gz KGSFSUVXTJKWEK-UHFFFAOYSA-N 1 2 209.249 0.943 20 0 BCADLO Cn1cc(NC(=O)NCc2ccc(N)[nH+]c2)nn1 ZINC000813011014 586589676 /nfs/dbraw/zinc/58/96/76/586589676.db2.gz MTQMNKZJHXKZFD-UHFFFAOYSA-N 1 2 247.262 0.114 20 0 BCADLO CC[C@@H](COC)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333697 586600523 /nfs/dbraw/zinc/60/05/23/586600523.db2.gz UGZYSLKSRFIHKA-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO CC[C@@H](COC)[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333697 586600524 /nfs/dbraw/zinc/60/05/24/586600524.db2.gz UGZYSLKSRFIHKA-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO Cn1c[nH+]cc1CNC(=S)NC1CCC1 ZINC000814205294 586617784 /nfs/dbraw/zinc/61/77/84/586617784.db2.gz WQLAJQMQBIAGGH-UHFFFAOYSA-N 1 2 224.333 0.937 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1 ZINC000815129563 586668742 /nfs/dbraw/zinc/66/87/42/586668742.db2.gz BZWMNBREMCQRPF-VIFPVBQESA-N 1 2 232.291 0.185 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(F)F)CC[N@@H+]1C ZINC000815700790 586692093 /nfs/dbraw/zinc/69/20/93/586692093.db2.gz TUEZFQAQVSBANH-ZETCQYMHSA-N 1 2 206.236 0.804 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(F)F)CC[N@H+]1C ZINC000815700790 586692095 /nfs/dbraw/zinc/69/20/95/586692095.db2.gz TUEZFQAQVSBANH-ZETCQYMHSA-N 1 2 206.236 0.804 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924187 586698009 /nfs/dbraw/zinc/69/80/09/586698009.db2.gz QORMLWYRFGJPNB-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924187 586698011 /nfs/dbraw/zinc/69/80/11/586698011.db2.gz QORMLWYRFGJPNB-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1cn[nH]n1 ZINC000816317338 586717188 /nfs/dbraw/zinc/71/71/88/586717188.db2.gz OUAZZWZKVLMUDK-UHFFFAOYSA-N 1 2 220.236 0.110 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1c[nH]nn1 ZINC000816317338 586717189 /nfs/dbraw/zinc/71/71/89/586717189.db2.gz OUAZZWZKVLMUDK-UHFFFAOYSA-N 1 2 220.236 0.110 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1Cl ZINC000816573982 586742190 /nfs/dbraw/zinc/74/21/90/586742190.db2.gz SCHYXHIEMGVRFR-IUCAKERBSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1Cl ZINC000816573982 586742191 /nfs/dbraw/zinc/74/21/91/586742191.db2.gz SCHYXHIEMGVRFR-IUCAKERBSA-N 1 2 245.710 0.001 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000816612668 586742473 /nfs/dbraw/zinc/74/24/73/586742473.db2.gz VSKFXJIEBRVAQR-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1CCO ZINC000816612668 586742474 /nfs/dbraw/zinc/74/24/74/586742474.db2.gz VSKFXJIEBRVAQR-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO Cn1ncc(C[N@H+](C)CCOCCO)c1Cl ZINC000816599852 586743844 /nfs/dbraw/zinc/74/38/44/586743844.db2.gz BAYLOYSNYSJWNF-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCOCCO)c1Cl ZINC000816599852 586743845 /nfs/dbraw/zinc/74/38/45/586743845.db2.gz BAYLOYSNYSJWNF-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO CCONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816831367 586767132 /nfs/dbraw/zinc/76/71/32/586767132.db2.gz PRPXJRFEMYYLRL-MRVPVSSYSA-N 1 2 209.249 0.513 20 0 BCADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000816859113 586768366 /nfs/dbraw/zinc/76/83/66/586768366.db2.gz MNUXNIDHOXABHJ-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO CCC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816956759 586774287 /nfs/dbraw/zinc/77/42/87/586774287.db2.gz VYFKLFXGXSHDSC-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CCc1cnc(CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000816972046 586775590 /nfs/dbraw/zinc/77/55/90/586775590.db2.gz ZRWCXEOAKLQJTB-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CC12CC2 ZINC000817229658 586787231 /nfs/dbraw/zinc/78/72/31/586787231.db2.gz BHHKWICZTDCNOE-JTQLQIEISA-N 1 2 225.288 0.662 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000817349751 586798198 /nfs/dbraw/zinc/79/81/98/586798198.db2.gz GTSAHQIUNGTWMW-SNVBAGLBSA-N 1 2 235.287 0.903 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOCCC1CC1 ZINC000817393223 586800654 /nfs/dbraw/zinc/80/06/54/586800654.db2.gz KJVISOIZOUFSMO-UHFFFAOYSA-N 1 2 223.276 0.811 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H](OC)C1CC1 ZINC000818079338 586870316 /nfs/dbraw/zinc/87/03/16/586870316.db2.gz RXDASGPSRCNWQO-IONNQARKSA-N 1 2 216.281 0.945 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000818101722 586874212 /nfs/dbraw/zinc/87/42/12/586874212.db2.gz FMLZPCXNDAKEEK-UWVGGRQHSA-N 1 2 223.276 0.851 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000818101722 586874214 /nfs/dbraw/zinc/87/42/14/586874214.db2.gz FMLZPCXNDAKEEK-UWVGGRQHSA-N 1 2 223.276 0.851 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2c(C)cnn2C)n1 ZINC000818222849 586879777 /nfs/dbraw/zinc/87/97/77/586879777.db2.gz JWIMMHSGGBNDAU-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)nn2)n1 ZINC000818223484 586880465 /nfs/dbraw/zinc/88/04/65/586880465.db2.gz YIXDJQADOGYLEE-UHFFFAOYSA-N 1 2 246.318 0.995 20 0 BCADLO CON(C)C(=O)CC[NH2+]Cc1cn[nH]c1C ZINC000818948701 586916444 /nfs/dbraw/zinc/91/64/44/586916444.db2.gz GEIGBJKOLRETEN-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO COC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccco1 ZINC000819127192 586932655 /nfs/dbraw/zinc/93/26/55/586932655.db2.gz RNTCPLCLOUSHPZ-SECBINFHSA-N 1 2 247.316 0.601 20 0 BCADLO CS(=O)(=O)CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000819174507 586935437 /nfs/dbraw/zinc/93/54/37/586935437.db2.gz UJHQVKFUUYRTDM-SECBINFHSA-N 1 2 243.332 0.421 20 0 BCADLO CCCON1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000819179558 586935912 /nfs/dbraw/zinc/93/59/12/586935912.db2.gz DLSKFCAEWKGNHZ-QMMMGPOBSA-N 1 2 238.247 0.214 20 0 BCADLO CCCON1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000819179558 586935914 /nfs/dbraw/zinc/93/59/14/586935914.db2.gz DLSKFCAEWKGNHZ-QMMMGPOBSA-N 1 2 238.247 0.214 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000819239479 586941851 /nfs/dbraw/zinc/94/18/51/586941851.db2.gz TUUJQJWUJLDRJN-UMCURTJPSA-N 1 2 235.287 0.772 20 0 BCADLO O=C(/C=C/[C@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000819265485 586945221 /nfs/dbraw/zinc/94/52/21/586945221.db2.gz GKXDXNBPJGVNLZ-HMDXOVGESA-N 1 2 235.287 0.804 20 0 BCADLO Cc1ccccc1[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000819271923 586945791 /nfs/dbraw/zinc/94/57/91/586945791.db2.gz XUVOOUJEWVIRME-LLVKDONJSA-N 1 2 247.302 0.342 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000819303546 586949085 /nfs/dbraw/zinc/94/90/85/586949085.db2.gz ZABKYRRKZXTNEU-FSIBCCDJSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000819303546 586949087 /nfs/dbraw/zinc/94/90/87/586949087.db2.gz ZABKYRRKZXTNEU-FSIBCCDJSA-N 1 2 221.260 0.761 20 0 BCADLO CCc1nc(C[NH2+]C[C@@H](C)S(C)(=O)=O)co1 ZINC000819352233 586955804 /nfs/dbraw/zinc/95/58/04/586955804.db2.gz CYGWKBAEOFSRNN-MRVPVSSYSA-N 1 2 246.332 0.760 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C/[C@H]1CCCO1 ZINC000819535630 586974729 /nfs/dbraw/zinc/97/47/29/586974729.db2.gz ZLNIKKRWBASLBH-SGUJLRQBSA-N 1 2 235.287 0.772 20 0 BCADLO C[C@H]1CN=C(NC(=O)Cc2c[nH+]cn2C)S1 ZINC000819781083 586994280 /nfs/dbraw/zinc/99/42/80/586994280.db2.gz IZTKSTUQZYNOEZ-ZETCQYMHSA-N 1 2 238.316 0.570 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000819986657 587010750 /nfs/dbraw/zinc/01/07/50/587010750.db2.gz DTBFYAVDXLZPJF-ZDUSSCGKSA-N 1 2 247.298 0.673 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000820077513 587018480 /nfs/dbraw/zinc/01/84/80/587018480.db2.gz CGEBSQFSZJJWKB-MWLCHTKSSA-N 1 2 246.376 0.877 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000820079767 587019164 /nfs/dbraw/zinc/01/91/64/587019164.db2.gz VFMNTUAUEJSKJE-IUCAKERBSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000820079767 587019167 /nfs/dbraw/zinc/01/91/67/587019167.db2.gz VFMNTUAUEJSKJE-IUCAKERBSA-N 1 2 200.282 0.533 20 0 BCADLO CCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000820191658 587033463 /nfs/dbraw/zinc/03/34/63/587033463.db2.gz KWEBSWGSBHGRFX-SSDOTTSWSA-N 1 2 234.263 0.512 20 0 BCADLO COc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000820191748 587033558 /nfs/dbraw/zinc/03/35/58/587033558.db2.gz OLYAFLYRWZTPRY-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000820238015 587037386 /nfs/dbraw/zinc/03/73/86/587037386.db2.gz GWEZKJDJQIITFO-ZJUUUORDSA-N 1 2 214.309 0.781 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000820238015 587037388 /nfs/dbraw/zinc/03/73/88/587037388.db2.gz GWEZKJDJQIITFO-ZJUUUORDSA-N 1 2 214.309 0.781 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820362823 587045101 /nfs/dbraw/zinc/04/51/01/587045101.db2.gz WEDYHFSFANLVND-ZETCQYMHSA-N 1 2 246.270 0.427 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157451 589082860 /nfs/dbraw/zinc/08/28/60/589082860.db2.gz VVDWVMXYZZHDBV-RKDXNWHRSA-N 1 2 241.287 0.433 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157451 589082861 /nfs/dbraw/zinc/08/28/61/589082861.db2.gz VVDWVMXYZZHDBV-RKDXNWHRSA-N 1 2 241.287 0.433 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1cc(=O)cc[nH]1 ZINC000820947726 587083670 /nfs/dbraw/zinc/08/36/70/587083670.db2.gz HVRZBQYLUOTPMK-VIFPVBQESA-N 1 2 244.254 0.446 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]12 ZINC000860165871 589084632 /nfs/dbraw/zinc/08/46/32/589084632.db2.gz CBVLRMORWXDWKN-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]12 ZINC000860165871 589084634 /nfs/dbraw/zinc/08/46/34/589084634.db2.gz CBVLRMORWXDWKN-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO Cn1cc[nH+]c1CN[C@@H](CCO)C(F)(F)F ZINC000821206228 587101640 /nfs/dbraw/zinc/10/16/40/587101640.db2.gz BRMAUAXFJUIHQX-ZETCQYMHSA-N 1 2 237.225 0.823 20 0 BCADLO COC(C[N@@H+]1CCc2nc[nH]c2C1)OC ZINC000821269952 587104791 /nfs/dbraw/zinc/10/47/91/587104791.db2.gz HWCBMGOBEWZTPJ-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO COC(C[N@H+]1CCc2nc[nH]c2C1)OC ZINC000821269952 587104792 /nfs/dbraw/zinc/10/47/92/587104792.db2.gz HWCBMGOBEWZTPJ-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCc2ccon2)[nH+]1 ZINC000821291764 587105659 /nfs/dbraw/zinc/10/56/59/587105659.db2.gz UQWDVVNNHFZESP-UHFFFAOYSA-N 1 2 248.286 0.862 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000821367986 587112820 /nfs/dbraw/zinc/11/28/20/587112820.db2.gz IIYWGPNDXXAQQC-JTQLQIEISA-N 1 2 241.287 0.720 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000821367986 587112822 /nfs/dbraw/zinc/11/28/22/587112822.db2.gz IIYWGPNDXXAQQC-JTQLQIEISA-N 1 2 241.287 0.720 20 0 BCADLO CCC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)COC1 ZINC000821386887 587115267 /nfs/dbraw/zinc/11/52/67/587115267.db2.gz XGKJIGDOUZWUBX-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385925 587115599 /nfs/dbraw/zinc/11/55/99/587115599.db2.gz PQZNZUDHIYRMFR-JLLWLGSASA-N 1 2 249.314 0.739 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Nn1cnnc1 ZINC000821564308 587128778 /nfs/dbraw/zinc/12/87/78/587128778.db2.gz BYWOUPNZPZDIPC-UHFFFAOYSA-N 1 2 218.220 0.179 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1ncccc1O ZINC000821844542 587143749 /nfs/dbraw/zinc/14/37/49/587143749.db2.gz ZKJVELLTTFILLW-UHFFFAOYSA-N 1 2 221.260 0.822 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821856756 587144293 /nfs/dbraw/zinc/14/42/93/587144293.db2.gz FNKGZOMQNBNTJY-IDFWJGBYSA-N 1 2 235.287 0.415 20 0 BCADLO CC1=NO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000821931570 587147030 /nfs/dbraw/zinc/14/70/30/587147030.db2.gz SUBCVQJTWXKNJG-VIFPVBQESA-N 1 2 222.248 0.164 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000822332948 587163066 /nfs/dbraw/zinc/16/30/66/587163066.db2.gz RWHUAQGBGPNEHS-SXGMEYSMSA-N 1 2 249.314 0.711 20 0 BCADLO CC(C)(O)CONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822494026 587172031 /nfs/dbraw/zinc/17/20/31/587172031.db2.gz FITMUVZVUCIIEX-HTQZYQBOSA-N 1 2 239.275 0.332 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 ZINC000822846111 587189466 /nfs/dbraw/zinc/18/94/66/587189466.db2.gz YMEFTFPRIIWEKJ-QYNIQEEDSA-N 1 2 225.248 0.756 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)C[NH+]1CCCC1 ZINC000823129672 587204449 /nfs/dbraw/zinc/20/44/49/587204449.db2.gz HQTVDWNZLJBULD-UHFFFAOYSA-N 1 2 224.264 0.458 20 0 BCADLO CO[C@H](C[NH2+][C@@]1(C)CCOC1=O)C1CC1 ZINC000823157289 587205859 /nfs/dbraw/zinc/20/58/59/587205859.db2.gz PLJOBEDIYJFSQL-KOLCDFICSA-N 1 2 213.277 0.707 20 0 BCADLO CN(C[C@@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823150752 587205927 /nfs/dbraw/zinc/20/59/27/587205927.db2.gz FFXFARBKAFDDTP-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@@H+]1CCS(C)(=O)=O ZINC000823185782 587206223 /nfs/dbraw/zinc/20/62/23/587206223.db2.gz VCTBNTKDQIHIGA-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@H+]1CCS(C)(=O)=O ZINC000823185782 587206224 /nfs/dbraw/zinc/20/62/24/587206224.db2.gz VCTBNTKDQIHIGA-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(C)(=O)=O ZINC000823185782 587206227 /nfs/dbraw/zinc/20/62/27/587206227.db2.gz VCTBNTKDQIHIGA-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000823185782 587206228 /nfs/dbraw/zinc/20/62/28/587206228.db2.gz VCTBNTKDQIHIGA-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@H]1C[C@@H](O)C1 ZINC000823237464 587210373 /nfs/dbraw/zinc/21/03/73/587210373.db2.gz WJSKWORCWQQHHZ-YIZRAAEISA-N 1 2 221.260 0.215 20 0 BCADLO CCOC(C[N@@H+]1CCN(C(=O)CC)C1)OCC ZINC000823497486 587227405 /nfs/dbraw/zinc/22/74/05/587227405.db2.gz ARYGTZSIJMEMII-UHFFFAOYSA-N 1 2 244.335 0.897 20 0 BCADLO CCOC(C[N@H+]1CCN(C(=O)CC)C1)OCC ZINC000823497486 587227406 /nfs/dbraw/zinc/22/74/06/587227406.db2.gz ARYGTZSIJMEMII-UHFFFAOYSA-N 1 2 244.335 0.897 20 0 BCADLO O=C(N[C@@H]1CCOC1)N[C@H]1CCn2cc[nH+]c21 ZINC000823654960 587234537 /nfs/dbraw/zinc/23/45/37/587234537.db2.gz HVAJXOMQVZMUCT-BDAKNGLRSA-N 1 2 236.275 0.416 20 0 BCADLO CCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824041984 587251234 /nfs/dbraw/zinc/25/12/34/587251234.db2.gz VXDWKVKJNOTRFM-HTQZYQBOSA-N 1 2 209.249 0.971 20 0 BCADLO CCCONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824041984 587251235 /nfs/dbraw/zinc/25/12/35/587251235.db2.gz VXDWKVKJNOTRFM-HTQZYQBOSA-N 1 2 209.249 0.971 20 0 BCADLO CC(C)[NH+]1CCC([NH2+]C2CN(C(=O)[O-])C2)CC1 ZINC000824362535 587267903 /nfs/dbraw/zinc/26/79/03/587267903.db2.gz DZCUZNMLQUVMOV-UHFFFAOYSA-N 1 2 241.335 0.811 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000824389739 587269271 /nfs/dbraw/zinc/26/92/71/587269271.db2.gz RWGQYMHEIYWUBV-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000824389739 587269273 /nfs/dbraw/zinc/26/92/73/587269273.db2.gz RWGQYMHEIYWUBV-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO CON(C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000824561139 587276258 /nfs/dbraw/zinc/27/62/58/587276258.db2.gz UKNZWBWKUUVRLF-UHFFFAOYSA-N 1 2 240.307 0.342 20 0 BCADLO CON(C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000824561139 587276260 /nfs/dbraw/zinc/27/62/60/587276260.db2.gz UKNZWBWKUUVRLF-UHFFFAOYSA-N 1 2 240.307 0.342 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000824737617 587284824 /nfs/dbraw/zinc/28/48/24/587284824.db2.gz CXXXNEJSGFEIQG-ZYHUDNBSSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000824737617 587284825 /nfs/dbraw/zinc/28/48/25/587284825.db2.gz CXXXNEJSGFEIQG-ZYHUDNBSSA-N 1 2 238.335 0.952 20 0 BCADLO CCC(CC)(NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC000824920392 587293417 /nfs/dbraw/zinc/29/34/17/587293417.db2.gz MSZGNPAZIZCNBC-UHFFFAOYSA-N 1 2 238.291 0.113 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825387981 587317746 /nfs/dbraw/zinc/31/77/46/587317746.db2.gz SQGCNIQUCSFRLN-PLWSPRCSSA-N 1 2 249.314 0.805 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825513984 587322562 /nfs/dbraw/zinc/32/25/62/587322562.db2.gz XIHZEOUYMDHFTA-LDYMZIIASA-N 1 2 223.276 0.605 20 0 BCADLO O=C(COC(F)(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC000825512984 587322761 /nfs/dbraw/zinc/32/27/61/587322761.db2.gz NNICOCGQLFLXBS-LURJTMIESA-N 1 2 249.192 0.981 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@]12C[C@H]1CCC2 ZINC000825526429 587323361 /nfs/dbraw/zinc/32/33/61/587323361.db2.gz GALKRKDVSMSOEM-GIPNMCIBSA-N 1 2 249.314 0.760 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000825540584 587324304 /nfs/dbraw/zinc/32/43/04/587324304.db2.gz VGHVXQRVZNXUJR-DJLDLDEBSA-N 1 2 223.276 0.632 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000825666901 587330537 /nfs/dbraw/zinc/33/05/37/587330537.db2.gz RJJDJINRDAAYCL-RGOKHQFPSA-N 1 2 243.303 0.725 20 0 BCADLO C[C@H](O)C1(NC(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000825677167 587331153 /nfs/dbraw/zinc/33/11/53/587331153.db2.gz AYGSERBLSZPNIV-TYRPZCRBSA-N 1 2 235.287 0.463 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852696 587341748 /nfs/dbraw/zinc/34/17/48/587341748.db2.gz PUJLMEKQCRJIEK-IUCAKERBSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852696 587341750 /nfs/dbraw/zinc/34/17/50/587341750.db2.gz PUJLMEKQCRJIEK-IUCAKERBSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826050086 587349412 /nfs/dbraw/zinc/34/94/12/587349412.db2.gz RNZRUWFNMYLTST-KXUCPTDWSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826050086 587349413 /nfs/dbraw/zinc/34/94/13/587349413.db2.gz RNZRUWFNMYLTST-KXUCPTDWSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046972 587349555 /nfs/dbraw/zinc/34/95/55/587349555.db2.gz AQYZXTPRIOZIFR-VHSXEESVSA-N 1 2 229.324 0.526 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046972 587349556 /nfs/dbraw/zinc/34/95/56/587349556.db2.gz AQYZXTPRIOZIFR-VHSXEESVSA-N 1 2 229.324 0.526 20 0 BCADLO Cc1ccnc(-n2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000826308556 587352343 /nfs/dbraw/zinc/35/23/43/587352343.db2.gz FLJQTYSROHYQIO-UHFFFAOYSA-N 1 2 227.231 0.756 20 0 BCADLO CC[NH+](CC)C[C@@H]1CC[N@H+](CCNC(=O)[O-])C1 ZINC000827040316 587368555 /nfs/dbraw/zinc/36/85/55/587368555.db2.gz RCPOPQYGUATZAE-NSHDSACASA-N 1 2 243.351 0.918 20 0 BCADLO CC[NH+](CC)C[C@@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000827040316 587368556 /nfs/dbraw/zinc/36/85/56/587368556.db2.gz RCPOPQYGUATZAE-NSHDSACASA-N 1 2 243.351 0.918 20 0 BCADLO CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198535 587372573 /nfs/dbraw/zinc/37/25/73/587372573.db2.gz JAQXZDSVCWMAMZ-VHSXEESVSA-N 1 2 229.324 0.574 20 0 BCADLO CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198535 587372574 /nfs/dbraw/zinc/37/25/74/587372574.db2.gz JAQXZDSVCWMAMZ-VHSXEESVSA-N 1 2 229.324 0.574 20 0 BCADLO CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198533 587372672 /nfs/dbraw/zinc/37/26/72/587372672.db2.gz JAQXZDSVCWMAMZ-NXEZZACHSA-N 1 2 229.324 0.574 20 0 BCADLO CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198533 587372673 /nfs/dbraw/zinc/37/26/73/587372673.db2.gz JAQXZDSVCWMAMZ-NXEZZACHSA-N 1 2 229.324 0.574 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cnccn1 ZINC000827340185 587377744 /nfs/dbraw/zinc/37/77/44/587377744.db2.gz BLMCIBYSUDLYIM-UHFFFAOYSA-N 1 2 238.291 0.607 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cnccn1 ZINC000827340185 587377745 /nfs/dbraw/zinc/37/77/45/587377745.db2.gz BLMCIBYSUDLYIM-UHFFFAOYSA-N 1 2 238.291 0.607 20 0 BCADLO CC1=NO[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000827390660 587379461 /nfs/dbraw/zinc/37/94/61/587379461.db2.gz ZYTOVZSRURSXSP-JTQLQIEISA-N 1 2 219.244 0.915 20 0 BCADLO Cc1cc(NC(=O)C[C@H]2CCC(=O)N2)cc[nH+]1 ZINC000827389290 587379506 /nfs/dbraw/zinc/37/95/06/587379506.db2.gz NAUGVNLWRSWIBF-SECBINFHSA-N 1 2 233.271 0.419 20 0 BCADLO Cc1c[nH]c(CNC(=O)[C@H]2OCCO[C@H]2C)[nH+]1 ZINC000827582380 587390017 /nfs/dbraw/zinc/39/00/17/587390017.db2.gz IFSQYFSLTPUDEB-WPRPVWTQSA-N 1 2 239.275 0.138 20 0 BCADLO C[N@H+](CC[S@@](C)=O)CC(=O)NC(C)(C)C ZINC000827726170 587400017 /nfs/dbraw/zinc/40/00/17/587400017.db2.gz TUERMKWKRLVXRH-OAHLLOKOSA-N 1 2 234.365 0.211 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)CC(=O)NC(C)(C)C ZINC000827726170 587400019 /nfs/dbraw/zinc/40/00/19/587400019.db2.gz TUERMKWKRLVXRH-OAHLLOKOSA-N 1 2 234.365 0.211 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[S@](C)=O ZINC000827870357 587406118 /nfs/dbraw/zinc/40/61/18/587406118.db2.gz GGCJGXZOTMTYHS-AWEZNQCLSA-N 1 2 221.322 0.296 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@]2(C)C=CCC2)C[C@@H]1CO ZINC000827983910 587414965 /nfs/dbraw/zinc/41/49/65/587414965.db2.gz XFTFESWBZSOKGP-DGCLKSJQSA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@]2(C)C=CCC2)C[C@@H]1CO ZINC000827983910 587414966 /nfs/dbraw/zinc/41/49/66/587414966.db2.gz XFTFESWBZSOKGP-DGCLKSJQSA-N 1 2 238.331 0.478 20 0 BCADLO C[NH+](C)C1CC[NH+](CCNC(=O)[O-])CC1 ZINC000828008828 587416728 /nfs/dbraw/zinc/41/67/28/587416728.db2.gz IWGRXCDASLCQGO-UHFFFAOYSA-N 1 2 215.297 0.280 20 0 BCADLO C[NH+](C)[C@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827993133 587415587 /nfs/dbraw/zinc/41/55/87/587415587.db2.gz ABCGZXJVVSYHPH-WDEREUQCSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC[S@@](C)=O ZINC000828011505 587415851 /nfs/dbraw/zinc/41/58/51/587415851.db2.gz JOXVUVFVOWTRTE-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC[S@@](C)=O ZINC000828011505 587415852 /nfs/dbraw/zinc/41/58/52/587415852.db2.gz JOXVUVFVOWTRTE-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1OCC[N@H+](CC[S@](C)=O)[C@H]1C ZINC000828011504 587415859 /nfs/dbraw/zinc/41/58/59/587415859.db2.gz JOXVUVFVOWTRTE-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC[S@](C)=O)[C@H]1C ZINC000828011504 587415861 /nfs/dbraw/zinc/41/58/61/587415861.db2.gz JOXVUVFVOWTRTE-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC[S@](C)=O ZINC000828011506 587415974 /nfs/dbraw/zinc/41/59/74/587415974.db2.gz JOXVUVFVOWTRTE-ZDMBXUJBSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC[S@](C)=O ZINC000828011506 587415975 /nfs/dbraw/zinc/41/59/75/587415975.db2.gz JOXVUVFVOWTRTE-ZDMBXUJBSA-N 1 2 205.323 0.474 20 0 BCADLO C[S@](=O)CC[N@H+](CCO)Cc1cccnc1 ZINC000828011537 587416781 /nfs/dbraw/zinc/41/67/81/587416781.db2.gz KZKKFKCUIIHNQJ-INIZCTEOSA-N 1 2 242.344 0.254 20 0 BCADLO C[S@](=O)CC[N@@H+](CCO)Cc1cccnc1 ZINC000828011537 587416783 /nfs/dbraw/zinc/41/67/83/587416783.db2.gz KZKKFKCUIIHNQJ-INIZCTEOSA-N 1 2 242.344 0.254 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CC[S@@](C)=O ZINC000828062958 587418470 /nfs/dbraw/zinc/41/84/70/587418470.db2.gz XAKIAUCKRLFPIN-CQSZACIVSA-N 1 2 221.322 0.248 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CC[S@@](C)=O ZINC000828062958 587418472 /nfs/dbraw/zinc/41/84/72/587418472.db2.gz XAKIAUCKRLFPIN-CQSZACIVSA-N 1 2 221.322 0.248 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CC[S@@](C)=O)C1CC1 ZINC000828121224 587420154 /nfs/dbraw/zinc/42/01/54/587420154.db2.gz ARBZVYHDFQKGQT-ZUZCIYMTSA-N 1 2 233.333 0.296 20 0 BCADLO C[C@@H]1[C@H](C)N(CC[S@@](C)=O)CC[N@H+]1C ZINC000828127181 587420370 /nfs/dbraw/zinc/42/03/70/587420370.db2.gz FVZCAUICSSRXRM-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1[C@H](C)N(CC[S@@](C)=O)CC[N@@H+]1C ZINC000828127181 587420371 /nfs/dbraw/zinc/42/03/71/587420371.db2.gz FVZCAUICSSRXRM-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO CSC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828224990 587425736 /nfs/dbraw/zinc/42/57/36/587425736.db2.gz PMCLUXNGJHIJIT-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO CCc1nc(CNc2nc(N(C)C)cc[nH+]2)n[nH]1 ZINC000828268608 587429502 /nfs/dbraw/zinc/42/95/02/587429502.db2.gz YBQYHDDOXRAUPA-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO C[C@H](O)[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828300028 587432720 /nfs/dbraw/zinc/43/27/20/587432720.db2.gz OVZWHCVFCFFMLC-WRWORJQWSA-N 1 2 249.270 0.034 20 0 BCADLO CCCONC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000828334927 587436397 /nfs/dbraw/zinc/43/63/97/587436397.db2.gz UYIXTUOYUJAULA-QMMMGPOBSA-N 1 2 238.291 0.908 20 0 BCADLO CCCONC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000828334927 587436398 /nfs/dbraw/zinc/43/63/98/587436398.db2.gz UYIXTUOYUJAULA-QMMMGPOBSA-N 1 2 238.291 0.908 20 0 BCADLO CCCONC(=O)N1CCn2c[nH+]cc2C1 ZINC000828334191 587436408 /nfs/dbraw/zinc/43/64/08/587436408.db2.gz LWAGCVJZXHAESJ-UHFFFAOYSA-N 1 2 224.264 0.750 20 0 BCADLO C[C@@H]1CSCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828367725 587438994 /nfs/dbraw/zinc/43/89/94/587438994.db2.gz RKRAIJGWRJLLQL-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000828389768 587439367 /nfs/dbraw/zinc/43/93/67/587439367.db2.gz NQMLZZFWLMBZCN-MFKMUULPSA-N 1 2 248.330 0.507 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000828389768 587439368 /nfs/dbraw/zinc/43/93/68/587439368.db2.gz NQMLZZFWLMBZCN-MFKMUULPSA-N 1 2 248.330 0.507 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000828389249 587439654 /nfs/dbraw/zinc/43/96/54/587439654.db2.gz IDPXISUSQKOXAX-CQSZACIVSA-N 1 2 230.358 0.880 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCc2ncsc2C1 ZINC000828389249 587439656 /nfs/dbraw/zinc/43/96/56/587439656.db2.gz IDPXISUSQKOXAX-CQSZACIVSA-N 1 2 230.358 0.880 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000828440659 587442475 /nfs/dbraw/zinc/44/24/75/587442475.db2.gz UEJCVARTFHPXTK-MEBBXXQBSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000828440659 587442477 /nfs/dbraw/zinc/44/24/77/587442477.db2.gz UEJCVARTFHPXTK-MEBBXXQBSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOCC12CC2 ZINC000828469648 587444556 /nfs/dbraw/zinc/44/45/56/587444556.db2.gz QTAIDPDNQLACMS-CYBMUJFWSA-N 1 2 203.307 0.230 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOCC12CC2 ZINC000828469648 587444557 /nfs/dbraw/zinc/44/45/57/587444557.db2.gz QTAIDPDNQLACMS-CYBMUJFWSA-N 1 2 203.307 0.230 20 0 BCADLO C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828480252 587445031 /nfs/dbraw/zinc/44/50/31/587445031.db2.gz FNHZZUIFGDAVDD-LLVKDONJSA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828480252 587445032 /nfs/dbraw/zinc/44/50/32/587445032.db2.gz FNHZZUIFGDAVDD-LLVKDONJSA-N 1 2 241.335 0.813 20 0 BCADLO CCC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828512019 587446690 /nfs/dbraw/zinc/44/66/90/587446690.db2.gz YJOLZGKEIXOYND-QMTHXVAHSA-N 1 2 219.350 0.866 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828512019 587446691 /nfs/dbraw/zinc/44/66/91/587446691.db2.gz YJOLZGKEIXOYND-QMTHXVAHSA-N 1 2 219.350 0.866 20 0 BCADLO CC[N@@H+]1CCN(CC[S@@](C)=O)[C@@H](C)C1 ZINC000828525523 587447335 /nfs/dbraw/zinc/44/73/35/587447335.db2.gz UDZDLSLNEFZMPX-IINYFYTJSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@@](C)=O)[C@@H](C)C1 ZINC000828525523 587447336 /nfs/dbraw/zinc/44/73/36/587447336.db2.gz UDZDLSLNEFZMPX-IINYFYTJSA-N 1 2 218.366 0.391 20 0 BCADLO COC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828889996 587468883 /nfs/dbraw/zinc/46/88/83/587468883.db2.gz XXZIHSGEULAWFZ-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCSC1 ZINC000828973199 587476705 /nfs/dbraw/zinc/47/67/05/587476705.db2.gz GLUXLHGABLYKTH-SSDOTTSWSA-N 1 2 211.290 0.574 20 0 BCADLO O=C(CO)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829076581 587481922 /nfs/dbraw/zinc/48/19/22/587481922.db2.gz KWQAYKKZENEKMU-UHFFFAOYSA-N 1 2 221.260 0.166 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829241910 587489781 /nfs/dbraw/zinc/48/97/81/587489781.db2.gz GMMRCHFRLIGYRA-BMIGLBTASA-N 1 2 249.401 0.573 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829241910 587489783 /nfs/dbraw/zinc/48/97/83/587489783.db2.gz GMMRCHFRLIGYRA-BMIGLBTASA-N 1 2 249.401 0.573 20 0 BCADLO COC[C@H]1C[C@@H](NC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000829350814 587494017 /nfs/dbraw/zinc/49/40/17/587494017.db2.gz HUKYIEZUCQNELY-BGASPPILSA-N 1 2 249.314 0.975 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C3(F)CC3)cc2C1 ZINC000829390945 587495598 /nfs/dbraw/zinc/49/55/98/587495598.db2.gz GOERZVCGDQDBPE-UHFFFAOYSA-N 1 2 238.266 0.769 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C3(F)CC3)cc2C1 ZINC000829390945 587495599 /nfs/dbraw/zinc/49/55/99/587495599.db2.gz GOERZVCGDQDBPE-UHFFFAOYSA-N 1 2 238.266 0.769 20 0 BCADLO COC(=O)[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000829398665 587495924 /nfs/dbraw/zinc/49/59/24/587495924.db2.gz FREDTVNZLWKHPI-SNVBAGLBSA-N 1 2 237.259 0.020 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@]2(O)C1 ZINC000829405830 587496273 /nfs/dbraw/zinc/49/62/73/587496273.db2.gz ATRXIQUICUGNSN-ZANVPECISA-N 1 2 243.266 0.770 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cn[nH]c1 ZINC000829451300 587498314 /nfs/dbraw/zinc/49/83/14/587498314.db2.gz NBGXKZLEQYOIRJ-QMMMGPOBSA-N 1 2 245.286 0.901 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cn[nH]c1 ZINC000829451300 587498316 /nfs/dbraw/zinc/49/83/16/587498316.db2.gz NBGXKZLEQYOIRJ-QMMMGPOBSA-N 1 2 245.286 0.901 20 0 BCADLO COC[C@H](C)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829490113 587500291 /nfs/dbraw/zinc/50/02/91/587500291.db2.gz HDFVJFDAGBVOPP-WBSSQXGSSA-N 1 2 223.276 0.584 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000829659570 587507796 /nfs/dbraw/zinc/50/77/96/587507796.db2.gz KMWWNLCDKLPEIQ-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCSC1 ZINC000829665180 587508208 /nfs/dbraw/zinc/50/82/08/587508208.db2.gz RWHWPMIEVKDAFX-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO CCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1nn[nH]n1 ZINC000829800115 587517115 /nfs/dbraw/zinc/51/71/15/587517115.db2.gz CIGGRGIHTSIRJS-SSDOTTSWSA-N 1 2 249.278 0.123 20 0 BCADLO CO[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000829846835 587523508 /nfs/dbraw/zinc/52/35/08/587523508.db2.gz XDKWLXJYYJWCAV-BDAKNGLRSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830122418 587537570 /nfs/dbraw/zinc/53/75/70/587537570.db2.gz XBZJPFXBPKVVCQ-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(C=O)c1 ZINC000830134167 587537729 /nfs/dbraw/zinc/53/77/29/587537729.db2.gz BIDCPMDNOXYOLU-LLVKDONJSA-N 1 2 233.271 0.328 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1cncc(C=O)c1 ZINC000830134167 587537730 /nfs/dbraw/zinc/53/77/30/587537730.db2.gz BIDCPMDNOXYOLU-LLVKDONJSA-N 1 2 233.271 0.328 20 0 BCADLO Cc1oc(C=O)cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830135597 587538432 /nfs/dbraw/zinc/53/84/32/587538432.db2.gz PUEPWHKQMJOIQO-VIFPVBQESA-N 1 2 236.271 0.834 20 0 BCADLO Cc1oc(C=O)cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830135597 587538434 /nfs/dbraw/zinc/53/84/34/587538434.db2.gz PUEPWHKQMJOIQO-VIFPVBQESA-N 1 2 236.271 0.834 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000830223079 587542172 /nfs/dbraw/zinc/54/21/72/587542172.db2.gz NHFAMQZLOFTJIB-IDFWJGBYSA-N 1 2 235.287 0.584 20 0 BCADLO CCC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830239688 587543372 /nfs/dbraw/zinc/54/33/72/587543372.db2.gz WLDUWEUROOPWLI-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO C[C@](CO)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000830386956 587548744 /nfs/dbraw/zinc/54/87/44/587548744.db2.gz RTNJITXWGYLXKN-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO CCOc1n[nH]c(NC(=O)C2([NH+](C)C)CC2)n1 ZINC000830403403 587550480 /nfs/dbraw/zinc/55/04/80/587550480.db2.gz FZQZRUXDPMKIDJ-UHFFFAOYSA-N 1 2 239.279 0.236 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000830661944 587563026 /nfs/dbraw/zinc/56/30/26/587563026.db2.gz GYNQHNTWGSGOTD-KWQFWETISA-N 1 2 248.286 0.548 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000830661944 587563028 /nfs/dbraw/zinc/56/30/28/587563028.db2.gz GYNQHNTWGSGOTD-KWQFWETISA-N 1 2 248.286 0.548 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C2(F)CC2)CCO1 ZINC000830755456 587567752 /nfs/dbraw/zinc/56/77/52/587567752.db2.gz MUUAXEASIKZPND-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C2(F)CC2)CCO1 ZINC000830755456 587567753 /nfs/dbraw/zinc/56/77/53/587567753.db2.gz MUUAXEASIKZPND-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO COC1(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000830826125 587572516 /nfs/dbraw/zinc/57/25/16/587572516.db2.gz ZZSJRXWHPZQJPP-UHFFFAOYSA-N 1 2 224.260 0.685 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC(=O)C1 ZINC000830896745 587576343 /nfs/dbraw/zinc/57/63/43/587576343.db2.gz KWGVOOSJNUDNEE-VIFPVBQESA-N 1 2 222.244 0.796 20 0 BCADLO C[C@@H](NC(=O)OC1CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000830908576 587576902 /nfs/dbraw/zinc/57/69/02/587576902.db2.gz LLDDBSKBZAKSDH-KOLCDFICSA-N 1 2 242.319 0.984 20 0 BCADLO C[C@@H](NC(=O)OC1CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000830908576 587576903 /nfs/dbraw/zinc/57/69/03/587576903.db2.gz LLDDBSKBZAKSDH-KOLCDFICSA-N 1 2 242.319 0.984 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCn2nccc21 ZINC000831183907 587589947 /nfs/dbraw/zinc/58/99/47/587589947.db2.gz YSWUEUSFXFELLE-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC1(CO)CCCC1 ZINC000831249828 587593466 /nfs/dbraw/zinc/59/34/66/587593466.db2.gz GDYJWQHWBRTOGI-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000831269460 587594905 /nfs/dbraw/zinc/59/49/05/587594905.db2.gz PZYGORSBPOMPCR-VXNVDRBHSA-N 1 2 225.292 0.997 20 0 BCADLO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NOC)C12CCC2 ZINC000831308861 587597248 /nfs/dbraw/zinc/59/72/48/587597248.db2.gz QSCQWPMMFPGZDV-ZJUUUORDSA-N 1 2 242.319 0.601 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831316875 587597650 /nfs/dbraw/zinc/59/76/50/587597650.db2.gz CTLRHIVZAUTKQU-DTWKUNHWSA-N 1 2 225.292 0.618 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cc1[nH]c[nH+]c1C ZINC000831311406 587597847 /nfs/dbraw/zinc/59/78/47/587597847.db2.gz OCJMYIKTYCLUIP-WPRPVWTQSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cc1[nH+]c[nH]c1C ZINC000831311406 587597849 /nfs/dbraw/zinc/59/78/49/587597849.db2.gz OCJMYIKTYCLUIP-WPRPVWTQSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831316876 587597898 /nfs/dbraw/zinc/59/78/98/587597898.db2.gz CTLRHIVZAUTKQU-IUCAKERBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831523224 587616219 /nfs/dbraw/zinc/61/62/19/587616219.db2.gz BOAXNJVNKJRUSK-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO CCCCOC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000831758701 587630341 /nfs/dbraw/zinc/63/03/41/587630341.db2.gz BPYCFEVYQUHEPS-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCCOC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000831758701 587630343 /nfs/dbraw/zinc/63/03/43/587630343.db2.gz BPYCFEVYQUHEPS-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO C[C@H]1C[N@H+](CCC(=O)C2CC2)CC(=O)N1 ZINC000831763371 587630871 /nfs/dbraw/zinc/63/08/71/587630871.db2.gz MDKDMDNARSAOIX-QMMMGPOBSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@H]1C[N@@H+](CCC(=O)C2CC2)CC(=O)N1 ZINC000831763371 587630872 /nfs/dbraw/zinc/63/08/72/587630872.db2.gz MDKDMDNARSAOIX-QMMMGPOBSA-N 1 2 210.277 0.176 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831786346 587631924 /nfs/dbraw/zinc/63/19/24/587631924.db2.gz YMYKRGQEVCRJAR-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC1CCC(CO)CC1 ZINC000831940829 587637065 /nfs/dbraw/zinc/63/70/65/587637065.db2.gz LWVZGHZYPJYYED-UHFFFAOYSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC2(CC2)C1 ZINC000831977906 587641440 /nfs/dbraw/zinc/64/14/40/587641440.db2.gz MTMRUIFXBYJIEC-UHFFFAOYSA-N 1 2 235.287 0.591 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831997251 587642216 /nfs/dbraw/zinc/64/22/16/587642216.db2.gz XJGZOALVGNOUCJ-SFYZADRCSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831997249 587642292 /nfs/dbraw/zinc/64/22/92/587642292.db2.gz XJGZOALVGNOUCJ-JGVFFNPUSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@H]1OCC[C@@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832039900 587643679 /nfs/dbraw/zinc/64/36/79/587643679.db2.gz UIILLHLKZQECDZ-LDYMZIIASA-N 1 2 223.276 0.636 20 0 BCADLO CC(C)OCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832146636 587646458 /nfs/dbraw/zinc/64/64/58/587646458.db2.gz ASIVGWDQHAUOMN-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832345948 587655400 /nfs/dbraw/zinc/65/54/00/587655400.db2.gz OMCGUGNFFIFSNA-PKRMOACSSA-N 1 2 223.276 0.396 20 0 BCADLO CC(C)(O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832448669 587660432 /nfs/dbraw/zinc/66/04/32/587660432.db2.gz JGMCWIHHHFAQDT-UHFFFAOYSA-N 1 2 211.265 0.229 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1CCO ZINC000832542302 587665442 /nfs/dbraw/zinc/66/54/42/587665442.db2.gz LLYMZSVARPMZCB-SECBINFHSA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(CCO)C1CCC1 ZINC000832744117 587682493 /nfs/dbraw/zinc/68/24/93/587682493.db2.gz ASLBVIJRWKLCPZ-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832802939 587690998 /nfs/dbraw/zinc/69/09/98/587690998.db2.gz WNJASECFUXGSDG-YUMQZZPRSA-N 1 2 211.265 0.492 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000833760341 587730852 /nfs/dbraw/zinc/73/08/52/587730852.db2.gz OORLLCRRCVPVFF-VIFPVBQESA-N 1 2 223.276 0.684 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000833760341 587730853 /nfs/dbraw/zinc/73/08/53/587730853.db2.gz OORLLCRRCVPVFF-VIFPVBQESA-N 1 2 223.276 0.684 20 0 BCADLO O=C([O-])N[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000834176224 587747922 /nfs/dbraw/zinc/74/79/22/587747922.db2.gz RKNISWINHXBXMM-VHSXEESVSA-N 1 2 238.291 0.661 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCC(C)(C)O ZINC000834628278 587761823 /nfs/dbraw/zinc/76/18/23/587761823.db2.gz DVGRDODYFXAMJG-QMMMGPOBSA-N 1 2 241.291 0.407 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCC(C)(C)O ZINC000834628278 587761824 /nfs/dbraw/zinc/76/18/24/587761824.db2.gz DVGRDODYFXAMJG-QMMMGPOBSA-N 1 2 241.291 0.407 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000834765966 587766225 /nfs/dbraw/zinc/76/62/25/587766225.db2.gz VNWOBCFTWIQRAS-KOLCDFICSA-N 1 2 249.314 0.978 20 0 BCADLO O[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000834904648 587769819 /nfs/dbraw/zinc/76/98/19/587769819.db2.gz APHRNXFSAWGMBA-KHQFGBGNSA-N 1 2 207.277 0.900 20 0 BCADLO Cn1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)n1 ZINC000835372637 587798515 /nfs/dbraw/zinc/79/85/15/587798515.db2.gz WBAMABCNCOGMPU-SECBINFHSA-N 1 2 241.266 0.621 20 0 BCADLO Cn1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC000835372637 587798516 /nfs/dbraw/zinc/79/85/16/587798516.db2.gz WBAMABCNCOGMPU-SECBINFHSA-N 1 2 241.266 0.621 20 0 BCADLO C/C=C/C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864033 587840308 /nfs/dbraw/zinc/84/03/08/587840308.db2.gz IDFSMVOFJMPYHI-GOYQAJIHSA-N 1 2 224.304 0.542 20 0 BCADLO C/C=C/C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864033 587840309 /nfs/dbraw/zinc/84/03/09/587840309.db2.gz IDFSMVOFJMPYHI-GOYQAJIHSA-N 1 2 224.304 0.542 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1ccncc1N ZINC000837606684 587885097 /nfs/dbraw/zinc/88/50/97/587885097.db2.gz HQOWYAPXSIRLCY-UHFFFAOYSA-N 1 2 246.270 0.797 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC(F)(F)C1 ZINC000867238961 587898994 /nfs/dbraw/zinc/89/89/94/587898994.db2.gz GILJMOLGSSIETM-SSDOTTSWSA-N 1 2 231.202 0.311 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000837979412 587907352 /nfs/dbraw/zinc/90/73/52/587907352.db2.gz IGDZVMWQEHSOIE-BDAKNGLRSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000837979412 587907355 /nfs/dbraw/zinc/90/73/55/587907355.db2.gz IGDZVMWQEHSOIE-BDAKNGLRSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000841450433 587954730 /nfs/dbraw/zinc/95/47/30/587954730.db2.gz LNOIAEVBQNYKMD-SWZMTVOYSA-N 1 2 245.282 0.978 20 0 BCADLO C[C@H]1C[N@H+](CN2CC(F)(F)CC2=O)CCCO1 ZINC000841679151 587972311 /nfs/dbraw/zinc/97/23/11/587972311.db2.gz KYOIKKMVASTPMQ-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H]1C[N@@H+](CN2CC(F)(F)CC2=O)CCCO1 ZINC000841679151 587972313 /nfs/dbraw/zinc/97/23/13/587972313.db2.gz KYOIKKMVASTPMQ-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)Cc1cccnc1 ZINC000842036524 587992202 /nfs/dbraw/zinc/99/22/02/587992202.db2.gz MPLPZURENGHUDN-VIFPVBQESA-N 1 2 223.276 0.893 20 0 BCADLO Cc1nn(C)cc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000842046438 587992396 /nfs/dbraw/zinc/99/23/96/587992396.db2.gz CXKDGWHLHYIROX-JTQLQIEISA-N 1 2 238.291 0.906 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC(F)(F)C1 ZINC000867284940 587999469 /nfs/dbraw/zinc/99/94/69/587999469.db2.gz VPXNGHKMEWCBJT-UPHRSURJSA-N 1 2 246.257 0.352 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cn1cc(Cl)cn1 ZINC000842632109 588046578 /nfs/dbraw/zinc/04/65/78/588046578.db2.gz UIWPZRBCDABQRS-UHFFFAOYSA-N 1 2 230.699 0.562 20 0 BCADLO CC(=O)NCC[N@H+](C)Cn1cc(Cl)cn1 ZINC000842632109 588046580 /nfs/dbraw/zinc/04/65/80/588046580.db2.gz UIWPZRBCDABQRS-UHFFFAOYSA-N 1 2 230.699 0.562 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cn1cc[nH]c1=S ZINC000842635525 588047733 /nfs/dbraw/zinc/04/77/33/588047733.db2.gz OCJCATPUFLENKL-UHFFFAOYSA-N 1 2 228.321 0.197 20 0 BCADLO CC(=O)NCC[N@H+](C)Cn1cc[nH]c1=S ZINC000842635525 588047735 /nfs/dbraw/zinc/04/77/35/588047735.db2.gz OCJCATPUFLENKL-UHFFFAOYSA-N 1 2 228.321 0.197 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661217 588050784 /nfs/dbraw/zinc/05/07/84/588050784.db2.gz MFMFRYOKKZNMKQ-VHSXEESVSA-N 1 2 246.307 0.573 20 0 BCADLO CC(C)O[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661097 588050802 /nfs/dbraw/zinc/05/08/02/588050802.db2.gz LSXVNGVZRBAUDG-VIFPVBQESA-N 1 2 216.281 0.946 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1ncc(C)s1 ZINC000842769366 588061163 /nfs/dbraw/zinc/06/11/63/588061163.db2.gz ODTBFYVZSDIACD-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nc(C)cs1 ZINC000842769458 588061235 /nfs/dbraw/zinc/06/12/35/588061235.db2.gz PJVNYYXNQODPGB-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cc(C)n(C)n1 ZINC000842770375 588061961 /nfs/dbraw/zinc/06/19/61/588061961.db2.gz SKDWPIYLIXJRKV-UHFFFAOYSA-N 1 2 240.307 0.228 20 0 BCADLO CC[NH2+]Cc1noc(CCn2cc(C)cn2)n1 ZINC000843145698 588087145 /nfs/dbraw/zinc/08/71/45/588087145.db2.gz UDTJUZSXSIETBB-UHFFFAOYSA-N 1 2 235.291 0.927 20 0 BCADLO CCO[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000885335216 588092810 /nfs/dbraw/zinc/09/28/10/588092810.db2.gz AARMSZOIQPGVFP-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CCO[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000885335216 588092812 /nfs/dbraw/zinc/09/28/12/588092812.db2.gz AARMSZOIQPGVFP-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO Cn1cncc1Cc1noc(C[NH2+]C2CC2)n1 ZINC000843200862 588093057 /nfs/dbraw/zinc/09/30/57/588093057.db2.gz TXRUOTAEAQUPEQ-UHFFFAOYSA-N 1 2 233.275 0.646 20 0 BCADLO CC(C)(CNC(=O)C1(F)CC1)[NH+]1CCOCC1 ZINC000843521684 588119343 /nfs/dbraw/zinc/11/93/43/588119343.db2.gz MDIQTFNIIHNSNP-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO COCCONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844135718 588169430 /nfs/dbraw/zinc/16/94/30/588169430.db2.gz UQBZISBVQUZPSD-VIFPVBQESA-N 1 2 239.275 0.140 20 0 BCADLO O=C1O[C@H](C[NH+]2CCOCC2)CN1C1CC1 ZINC000844272491 588178909 /nfs/dbraw/zinc/17/89/09/588178909.db2.gz XDXZYQHYVXWPJT-SNVBAGLBSA-N 1 2 226.276 0.302 20 0 BCADLO COC/C(C)=C\C(=O)NCCn1cc[nH+]c1 ZINC000844295849 588181697 /nfs/dbraw/zinc/18/16/97/588181697.db2.gz AVSGNLIJHJGMGN-YFHOEESVSA-N 1 2 223.276 0.592 20 0 BCADLO CC[C@H]1C[N@H+](CC2OCCO2)[C@H](C)CO1 ZINC000844390138 588189057 /nfs/dbraw/zinc/18/90/57/588189057.db2.gz DECBDUKPPASRJM-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@H]1C[N@@H+](CC2OCCO2)[C@H](C)CO1 ZINC000844390138 588189059 /nfs/dbraw/zinc/18/90/59/588189059.db2.gz DECBDUKPPASRJM-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844456690 588196104 /nfs/dbraw/zinc/19/61/04/588196104.db2.gz GNNKPJSVHRFDHL-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844456690 588196105 /nfs/dbraw/zinc/19/61/05/588196105.db2.gz GNNKPJSVHRFDHL-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO C[C@H](CC(=O)OCc1cn(C)nn1)n1cc[nH+]c1 ZINC000844483722 588198789 /nfs/dbraw/zinc/19/87/89/588198789.db2.gz NSZUMTFZADAROB-SECBINFHSA-N 1 2 249.274 0.706 20 0 BCADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=O)n1C ZINC000844685683 588212879 /nfs/dbraw/zinc/21/28/79/588212879.db2.gz GHPYHSAYFTVGSW-VIFPVBQESA-N 1 2 226.324 0.824 20 0 BCADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=O)n1C ZINC000844685683 588212880 /nfs/dbraw/zinc/21/28/80/588212880.db2.gz GHPYHSAYFTVGSW-VIFPVBQESA-N 1 2 226.324 0.824 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c(=O)n1C ZINC000844677465 588213261 /nfs/dbraw/zinc/21/32/61/588213261.db2.gz TTWDFONUMGTNDV-VIFPVBQESA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H](C)C2)c(=O)n1C ZINC000844677465 588213263 /nfs/dbraw/zinc/21/32/63/588213263.db2.gz TTWDFONUMGTNDV-VIFPVBQESA-N 1 2 224.308 0.580 20 0 BCADLO CCCC[N@H+](C)Cn1nc(C)n(C)c1=O ZINC000844684139 588213605 /nfs/dbraw/zinc/21/36/05/588213605.db2.gz FPRBHBJLKRFKQE-UHFFFAOYSA-N 1 2 212.297 0.580 20 0 BCADLO CCCC[N@@H+](C)Cn1nc(C)n(C)c1=O ZINC000844684139 588213606 /nfs/dbraw/zinc/21/36/06/588213606.db2.gz FPRBHBJLKRFKQE-UHFFFAOYSA-N 1 2 212.297 0.580 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1=O ZINC000844749213 588216011 /nfs/dbraw/zinc/21/60/11/588216011.db2.gz WEZUPOPQKQFMLS-TWTBIMQBSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1=O ZINC000844749213 588216012 /nfs/dbraw/zinc/21/60/12/588216012.db2.gz WEZUPOPQKQFMLS-TWTBIMQBSA-N 1 2 242.344 0.018 20 0 BCADLO CN1C(=O)CN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844758666 588216267 /nfs/dbraw/zinc/21/62/67/588216267.db2.gz UGYLOBGAFFYKPK-KNVOCYPGSA-N 1 2 245.229 0.035 20 0 BCADLO CN1C(=O)CN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844758666 588216268 /nfs/dbraw/zinc/21/62/68/588216268.db2.gz UGYLOBGAFFYKPK-KNVOCYPGSA-N 1 2 245.229 0.035 20 0 BCADLO NC(CCO)=[NH+]OCc1cc2n(n1)CCCC2 ZINC000844766081 588216558 /nfs/dbraw/zinc/21/65/58/588216558.db2.gz HDHHSWHNLUUZBV-UHFFFAOYSA-N 1 2 238.291 0.600 20 0 BCADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000845276717 588225103 /nfs/dbraw/zinc/22/51/03/588225103.db2.gz KWUJDTHYHADNJP-JGVFFNPUSA-N 1 2 225.248 0.251 20 0 BCADLO C[C@H](CC(=O)O[C@H](C)C(N)=O)n1cc[nH+]c1 ZINC000845276716 588225223 /nfs/dbraw/zinc/22/52/23/588225223.db2.gz KWUJDTHYHADNJP-HTQZYQBOSA-N 1 2 225.248 0.251 20 0 BCADLO CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000845281254 588225602 /nfs/dbraw/zinc/22/56/02/588225602.db2.gz JLTVOSNBZBNMHR-DTWKUNHWSA-N 1 2 239.275 0.641 20 0 BCADLO C[C@@H](CC(=O)OCCc1cn[nH]n1)n1cc[nH+]c1 ZINC000845477364 588229865 /nfs/dbraw/zinc/22/98/65/588229865.db2.gz PZOJZTNJYOTAMJ-VIFPVBQESA-N 1 2 249.274 0.738 20 0 BCADLO C[C@@H](CC(=O)OCCc1c[nH]nn1)n1cc[nH+]c1 ZINC000845477364 588229866 /nfs/dbraw/zinc/22/98/66/588229866.db2.gz PZOJZTNJYOTAMJ-VIFPVBQESA-N 1 2 249.274 0.738 20 0 BCADLO COC/C(C)=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000845700013 588241879 /nfs/dbraw/zinc/24/18/79/588241879.db2.gz SCNWBRAINPSISF-XBXARRHUSA-N 1 2 223.276 0.927 20 0 BCADLO CCONC(=O)CNc1cc[nH+]c(C)c1Cl ZINC000845714294 588242173 /nfs/dbraw/zinc/24/21/73/588242173.db2.gz SXQQMFJGLKWJRF-UHFFFAOYSA-N 1 2 243.694 0.945 20 0 BCADLO CCONC(=O)CNc1nc(C)[nH+]c(C)c1C ZINC000845713390 588242181 /nfs/dbraw/zinc/24/21/81/588242181.db2.gz JPWBMWPZKXDMPM-UHFFFAOYSA-N 1 2 238.291 0.881 20 0 BCADLO COC/C(C)=C/C(=O)NCCc1c[nH+]cn1C ZINC000845933700 588250830 /nfs/dbraw/zinc/25/08/30/588250830.db2.gz KFLICHLGKSUGMG-UXBLZVDNSA-N 1 2 237.303 0.672 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000846087824 588255747 /nfs/dbraw/zinc/25/57/47/588255747.db2.gz UGQWPGOBBABKII-IUCAKERBSA-N 1 2 216.281 0.211 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000846086286 588255775 /nfs/dbraw/zinc/25/57/75/588255775.db2.gz NMJXPVFVBPYCGO-MNOVXSKESA-N 1 2 244.335 0.847 20 0 BCADLO CCONC(=O)C[NH2+]C1CC(OCC)C1 ZINC000846091664 588255914 /nfs/dbraw/zinc/25/59/14/588255914.db2.gz NLYFMSRSJREXDL-UHFFFAOYSA-N 1 2 216.281 0.211 20 0 BCADLO CCONC(=O)C[NH2+]C[C@H]1CCSC1 ZINC000846086784 588255934 /nfs/dbraw/zinc/25/59/34/588255934.db2.gz OXKRBNLNPWFIPG-MRVPVSSYSA-N 1 2 218.322 0.397 20 0 BCADLO COC/C(C)=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000846186981 588259383 /nfs/dbraw/zinc/25/93/83/588259383.db2.gz IRICWNZQEVWCIN-BJMVGYQFSA-N 1 2 235.287 0.818 20 0 BCADLO Cc1cc(CC(=O)NOCC[NH+](C)C)on1 ZINC000846232023 588261952 /nfs/dbraw/zinc/26/19/52/588261952.db2.gz NLNUZNOCSVHYRD-UHFFFAOYSA-N 1 2 227.264 0.135 20 0 BCADLO CNC(=O)C1CC[NH+](Cc2cnsn2)CC1 ZINC000846767909 588287048 /nfs/dbraw/zinc/28/70/48/588287048.db2.gz QYRPCONXYVUMHV-UHFFFAOYSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cnsn1 ZINC000846797633 588288871 /nfs/dbraw/zinc/28/88/71/588288871.db2.gz WDNHKNWWEPVCLX-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cnsn1 ZINC000846797633 588288872 /nfs/dbraw/zinc/28/88/72/588288872.db2.gz WDNHKNWWEPVCLX-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1cnsn1)C(C)C ZINC000846844372 588293189 /nfs/dbraw/zinc/29/31/89/588293189.db2.gz CGCBBSMIEVXTFT-QMMMGPOBSA-N 1 2 228.321 0.398 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H](CO)C2CC2)n1 ZINC000846854436 588293541 /nfs/dbraw/zinc/29/35/41/588293541.db2.gz HDAUAPYMJQAERR-SECBINFHSA-N 1 2 239.323 0.289 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2cnsn2)C1 ZINC000846858103 588293574 /nfs/dbraw/zinc/29/35/74/588293574.db2.gz LOCRYZZKRCHFAV-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2cnsn2)C1 ZINC000846858103 588293575 /nfs/dbraw/zinc/29/35/75/588293575.db2.gz LOCRYZZKRCHFAV-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnsn1 ZINC000846862115 588294067 /nfs/dbraw/zinc/29/40/67/588294067.db2.gz OJWOOQLKOOPANG-UWVGGRQHSA-N 1 2 243.332 0.822 20 0 BCADLO O=C1C[C@]2(CC[N@H+](Cc3cnsn3)C2)CN1 ZINC000846879295 588294888 /nfs/dbraw/zinc/29/48/88/588294888.db2.gz LAKGFJIWMHEHIY-SNVBAGLBSA-N 1 2 238.316 0.250 20 0 BCADLO O=C1C[C@]2(CC[N@@H+](Cc3cnsn3)C2)CN1 ZINC000846879295 588294889 /nfs/dbraw/zinc/29/48/89/588294889.db2.gz LAKGFJIWMHEHIY-SNVBAGLBSA-N 1 2 238.316 0.250 20 0 BCADLO C[C@]1(C(N)=O)CC[N@H+](Cc2cnsn2)C1 ZINC000846882371 588295101 /nfs/dbraw/zinc/29/51/01/588295101.db2.gz JKVMECJSQCRUKB-VIFPVBQESA-N 1 2 226.305 0.235 20 0 BCADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cnsn2)C1 ZINC000846882371 588295102 /nfs/dbraw/zinc/29/51/02/588295102.db2.gz JKVMECJSQCRUKB-VIFPVBQESA-N 1 2 226.305 0.235 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CC[C@@](F)(CO)C2)OC1=O ZINC000846896283 588296262 /nfs/dbraw/zinc/29/62/62/588296262.db2.gz WAZHTVHNCDQHOB-ONGXEEELSA-N 1 2 246.282 0.233 20 0 BCADLO CCN1C[C@H](C[N@H+]2CC[C@@](F)(CO)C2)OC1=O ZINC000846896283 588296263 /nfs/dbraw/zinc/29/62/63/588296263.db2.gz WAZHTVHNCDQHOB-ONGXEEELSA-N 1 2 246.282 0.233 20 0 BCADLO CC(=O)C1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000846939918 588297802 /nfs/dbraw/zinc/29/78/02/588297802.db2.gz GENAGDFYLTXHBR-UHFFFAOYSA-N 1 2 234.303 0.860 20 0 BCADLO COC[C@@]1(CO)CC[N@H+](Cc2cnsn2)C1 ZINC000846981018 588298736 /nfs/dbraw/zinc/29/87/36/588298736.db2.gz AXHQZMLDQVHUDX-JTQLQIEISA-N 1 2 243.332 0.369 20 0 BCADLO COC[C@@]1(CO)CC[N@@H+](Cc2cnsn2)C1 ZINC000846981018 588298737 /nfs/dbraw/zinc/29/87/37/588298737.db2.gz AXHQZMLDQVHUDX-JTQLQIEISA-N 1 2 243.332 0.369 20 0 BCADLO COc1ncccc1C[NH+]1CCN(OC)CC1 ZINC000846971105 588299230 /nfs/dbraw/zinc/29/92/30/588299230.db2.gz KOXJPLDUEGLFDQ-UHFFFAOYSA-N 1 2 237.303 0.769 20 0 BCADLO CCC[C@H](C(=O)OCC)[NH+]1CCN(OC)CC1 ZINC000846975641 588299577 /nfs/dbraw/zinc/29/95/77/588299577.db2.gz IHYHLZGVUIFLDB-LLVKDONJSA-N 1 2 244.335 0.897 20 0 BCADLO COC(=O)/C(C)=C\C[NH+]1CCN(OC)CC1 ZINC000846977372 588299898 /nfs/dbraw/zinc/29/98/98/588299898.db2.gz RCZMRXMRCKVLNK-WMZJFQQLSA-N 1 2 228.292 0.285 20 0 BCADLO O=C1CC[N@H+](CC2OCCO2)C2(CCC2)C1 ZINC000846999278 588301191 /nfs/dbraw/zinc/30/11/91/588301191.db2.gz UNZSNDWTUOGIBW-UHFFFAOYSA-N 1 2 225.288 0.947 20 0 BCADLO O=C1CC[N@@H+](CC2OCCO2)C2(CCC2)C1 ZINC000846999278 588301192 /nfs/dbraw/zinc/30/11/92/588301192.db2.gz UNZSNDWTUOGIBW-UHFFFAOYSA-N 1 2 225.288 0.947 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000847161719 588307992 /nfs/dbraw/zinc/30/79/92/588307992.db2.gz VBVXUMHCAFQMJL-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C(=O)O1 ZINC000848073818 588353971 /nfs/dbraw/zinc/35/39/71/588353971.db2.gz IGIOPIAXMRGAEH-RKDXNWHRSA-N 1 2 240.303 0.148 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C[C@@H](C)OC ZINC000848174884 588365312 /nfs/dbraw/zinc/36/53/12/588365312.db2.gz YAHCTWRJWYDMFU-SECBINFHSA-N 1 2 225.292 0.944 20 0 BCADLO CCc1nocc1CO[NH+]=C(N)CCO ZINC000848511591 588388581 /nfs/dbraw/zinc/38/85/81/588388581.db2.gz YGLXNIAJIUUBFS-UHFFFAOYSA-N 1 2 213.237 0.618 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@H]1COCCO1 ZINC000848650476 588403797 /nfs/dbraw/zinc/40/37/97/588403797.db2.gz NZQMLRKJUHGPNJ-VIFPVBQESA-N 1 2 239.275 0.621 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cnc1Cl ZINC000848906795 588419128 /nfs/dbraw/zinc/41/91/28/588419128.db2.gz ZPWGCPJPGHGKEL-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cnc1Cl ZINC000848906795 588419130 /nfs/dbraw/zinc/41/91/30/588419130.db2.gz ZPWGCPJPGHGKEL-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000849050065 588451882 /nfs/dbraw/zinc/45/18/82/588451882.db2.gz XSLGREZFNYDHRB-UHFFFAOYSA-N 1 2 228.296 0.064 20 0 BCADLO C[C@@H](O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849151399 588456384 /nfs/dbraw/zinc/45/63/84/588456384.db2.gz VKSQSZYNXMWHSY-SSDOTTSWSA-N 1 2 220.232 0.208 20 0 BCADLO Cn1c[nH+]c(CCNC(=S)NCC2CC2)c1 ZINC000849264243 588467247 /nfs/dbraw/zinc/46/72/47/588467247.db2.gz BSYNRDPOPUFILB-UHFFFAOYSA-N 1 2 238.360 0.837 20 0 BCADLO CCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849289894 588470157 /nfs/dbraw/zinc/47/01/57/588470157.db2.gz RNYVBNQEJVATLS-SNVBAGLBSA-N 1 2 243.376 0.287 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000849321678 588472082 /nfs/dbraw/zinc/47/20/82/588472082.db2.gz JURZFTMPKRGMOL-HBNTYKKESA-N 1 2 245.319 0.579 20 0 BCADLO CCN(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000849395065 588476456 /nfs/dbraw/zinc/47/64/56/588476456.db2.gz NGVQWJGXYHLARV-QMMMGPOBSA-N 1 2 208.265 0.989 20 0 BCADLO COC[C@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC000849733098 588491334 /nfs/dbraw/zinc/49/13/34/588491334.db2.gz OOGYIDLLBNSKEX-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@H](COC(=O)[C@@H]1CCCC[N@H+]1C)OC ZINC000849733098 588491335 /nfs/dbraw/zinc/49/13/35/588491335.db2.gz OOGYIDLLBNSKEX-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850263807 588533187 /nfs/dbraw/zinc/53/31/87/588533187.db2.gz OCFZVDCTCXGFIV-GDNZZTSVSA-N 1 2 239.315 0.908 20 0 BCADLO CCn1nc(C)c(CNCc2[nH]cc(C)[nH+]2)n1 ZINC000850329967 588536804 /nfs/dbraw/zinc/53/68/04/588536804.db2.gz HPAMUPBIEOKRBM-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO CCn1nc(C)c(C[NH2+]C/C=C/CO)n1 ZINC000850358021 588538661 /nfs/dbraw/zinc/53/86/61/588538661.db2.gz ZFSKKXYWQPKTTE-SNAWJCMRSA-N 1 2 210.281 0.245 20 0 BCADLO CCn1ncc(CN[C@H](C)c2[nH+]ccn2C)n1 ZINC000850410448 588544362 /nfs/dbraw/zinc/54/43/62/588544362.db2.gz UUXLAJSKURQNCX-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO C[N@H+](CCOC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000851719086 588616185 /nfs/dbraw/zinc/61/61/85/588616185.db2.gz FIEUORQQXQNKCU-ZETCQYMHSA-N 1 2 243.275 0.345 20 0 BCADLO C[N@@H+](CCOC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000851719086 588616186 /nfs/dbraw/zinc/61/61/86/588616186.db2.gz FIEUORQQXQNKCU-ZETCQYMHSA-N 1 2 243.275 0.345 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)C[C@H](O)c1ccccn1 ZINC000851721223 588617285 /nfs/dbraw/zinc/61/72/85/588617285.db2.gz DWZXQGUIBZLKTL-LBPRGKRZSA-N 1 2 249.314 0.325 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)C[C@H](O)c1ccccn1 ZINC000851721223 588617286 /nfs/dbraw/zinc/61/72/86/588617286.db2.gz DWZXQGUIBZLKTL-LBPRGKRZSA-N 1 2 249.314 0.325 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851725567 588618112 /nfs/dbraw/zinc/61/81/12/588618112.db2.gz BLJPSIZWBFMHDH-JQWIXIFHSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851725567 588618113 /nfs/dbraw/zinc/61/81/13/588618113.db2.gz BLJPSIZWBFMHDH-JQWIXIFHSA-N 1 2 222.288 0.836 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000851729463 588619067 /nfs/dbraw/zinc/61/90/67/588619067.db2.gz AZYUIPCYXMWOTH-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000851729463 588619068 /nfs/dbraw/zinc/61/90/68/588619068.db2.gz AZYUIPCYXMWOTH-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CC(=O)N(C)C1CC[NH+](Cc2cnon2)CC1 ZINC000851740617 588621163 /nfs/dbraw/zinc/62/11/63/588621163.db2.gz UKIZYXUVEVWGMY-UHFFFAOYSA-N 1 2 238.291 0.512 20 0 BCADLO c1nonc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000851745991 588621887 /nfs/dbraw/zinc/62/18/87/588621887.db2.gz GGTUWTYLYXYIPM-UHFFFAOYSA-N 1 2 239.275 0.655 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC(OC)OC ZINC000851749945 588623027 /nfs/dbraw/zinc/62/30/27/588623027.db2.gz RSUXCMJSEXZRAI-UHFFFAOYSA-N 1 2 219.281 0.537 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1COC(C)(C)O1 ZINC000851749994 588623037 /nfs/dbraw/zinc/62/30/37/588623037.db2.gz TVVXJJNCXLIXQT-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1COC(C)(C)O1 ZINC000851749994 588623038 /nfs/dbraw/zinc/62/30/38/588623038.db2.gz TVVXJJNCXLIXQT-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000851762795 588624391 /nfs/dbraw/zinc/62/43/91/588624391.db2.gz ZDCXVGLSZCDCDK-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000851762795 588624392 /nfs/dbraw/zinc/62/43/92/588624392.db2.gz ZDCXVGLSZCDCDK-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851768009 588624959 /nfs/dbraw/zinc/62/49/59/588624959.db2.gz ILNRAZSHJPKKBI-IUCAKERBSA-N 1 2 249.332 0.057 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851768009 588624960 /nfs/dbraw/zinc/62/49/60/588624960.db2.gz ILNRAZSHJPKKBI-IUCAKERBSA-N 1 2 249.332 0.057 20 0 BCADLO CC1(C)OC[C@H](CC[NH+]2CCS(=O)CC2)O1 ZINC000851766919 588625079 /nfs/dbraw/zinc/62/50/79/588625079.db2.gz QNLJUOPHNUHRQY-JTQLQIEISA-N 1 2 247.360 0.592 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOC(F)F ZINC000851770203 588625494 /nfs/dbraw/zinc/62/54/94/588625494.db2.gz ZSHVJDZDJCTZPV-SSDOTTSWSA-N 1 2 245.291 0.591 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOC(F)F ZINC000851770203 588625495 /nfs/dbraw/zinc/62/54/95/588625495.db2.gz ZSHVJDZDJCTZPV-SSDOTTSWSA-N 1 2 245.291 0.591 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851780454 588627327 /nfs/dbraw/zinc/62/73/27/588627327.db2.gz XJQZMHJSYYKJOA-NWDGAFQWSA-N 1 2 249.314 0.325 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851780454 588627328 /nfs/dbraw/zinc/62/73/28/588627328.db2.gz XJQZMHJSYYKJOA-NWDGAFQWSA-N 1 2 249.314 0.325 20 0 BCADLO CN1CC[N@H+](CC[C@H]2COC(C)(C)O2)CC1=O ZINC000851782692 588627659 /nfs/dbraw/zinc/62/76/59/588627659.db2.gz WEHZCFSRRSHASP-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CN1CC[N@@H+](CC[C@H]2COC(C)(C)O2)CC1=O ZINC000851782692 588627660 /nfs/dbraw/zinc/62/76/60/588627660.db2.gz WEHZCFSRRSHASP-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000851781515 588627819 /nfs/dbraw/zinc/62/78/19/588627819.db2.gz YUGQISOIVLVDHF-SECBINFHSA-N 1 2 210.281 0.112 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000851781515 588627820 /nfs/dbraw/zinc/62/78/20/588627820.db2.gz YUGQISOIVLVDHF-SECBINFHSA-N 1 2 210.281 0.112 20 0 BCADLO CN1CC[N@H+](CC[C@@H]2COC(C)(C)O2)CC1=O ZINC000851782693 588627834 /nfs/dbraw/zinc/62/78/34/588627834.db2.gz WEHZCFSRRSHASP-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CN1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)CC1=O ZINC000851782693 588627835 /nfs/dbraw/zinc/62/78/35/588627835.db2.gz WEHZCFSRRSHASP-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000851800722 588630709 /nfs/dbraw/zinc/63/07/09/588630709.db2.gz PNFONXIPHIAHPI-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000851800722 588630710 /nfs/dbraw/zinc/63/07/10/588630710.db2.gz PNFONXIPHIAHPI-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO Cn1cnc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000851805500 588631287 /nfs/dbraw/zinc/63/12/87/588631287.db2.gz UAGNGADFLXEMIA-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCOC[C@H](C)C2)C1=O ZINC000851866111 588636874 /nfs/dbraw/zinc/63/68/74/588636874.db2.gz KHVOQXZABNYDJM-ZJUUUORDSA-N 1 2 228.292 0.117 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCOC[C@H](C)C2)C1=O ZINC000851866111 588636875 /nfs/dbraw/zinc/63/68/75/588636875.db2.gz KHVOQXZABNYDJM-ZJUUUORDSA-N 1 2 228.292 0.117 20 0 BCADLO C[N@H+](Cc1cccc(F)n1)[C@H]1CCNC1=O ZINC000851871604 588637161 /nfs/dbraw/zinc/63/71/61/588637161.db2.gz SMFSADGRNRUFTF-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1cccc(F)n1)[C@H]1CCNC1=O ZINC000851871604 588637162 /nfs/dbraw/zinc/63/71/62/588637162.db2.gz SMFSADGRNRUFTF-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO CCn1ncc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000851871779 588637683 /nfs/dbraw/zinc/63/76/83/588637683.db2.gz VFEQFUHHSZWFGW-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cccc(F)n1 ZINC000851875942 588638277 /nfs/dbraw/zinc/63/82/77/588638277.db2.gz ZNSRCIKXBCMXOD-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cccc(F)n1 ZINC000851875942 588638278 /nfs/dbraw/zinc/63/82/78/588638278.db2.gz ZNSRCIKXBCMXOD-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000851884731 588640116 /nfs/dbraw/zinc/64/01/16/588640116.db2.gz AMWMZFUPEZUVGU-PSASIEDQSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000851884731 588640117 /nfs/dbraw/zinc/64/01/17/588640117.db2.gz AMWMZFUPEZUVGU-PSASIEDQSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000851953802 588647413 /nfs/dbraw/zinc/64/74/13/588647413.db2.gz KIPXOVQJFXVSIL-NSHDSACASA-N 1 2 247.306 0.337 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000851953802 588647414 /nfs/dbraw/zinc/64/74/14/588647414.db2.gz KIPXOVQJFXVSIL-NSHDSACASA-N 1 2 247.306 0.337 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnon1 ZINC000851954736 588647424 /nfs/dbraw/zinc/64/74/24/588647424.db2.gz WLFMWCHUPWIBGR-DTORHVGOSA-N 1 2 207.233 0.766 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnon1 ZINC000851954736 588647425 /nfs/dbraw/zinc/64/74/25/588647425.db2.gz WLFMWCHUPWIBGR-DTORHVGOSA-N 1 2 207.233 0.766 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCC1=O ZINC000851951366 588647433 /nfs/dbraw/zinc/64/74/33/588647433.db2.gz DAPWBYXRJQRZCB-IUCAKERBSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCC1=O ZINC000851951366 588647434 /nfs/dbraw/zinc/64/74/34/588647434.db2.gz DAPWBYXRJQRZCB-IUCAKERBSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@@H]([NH2+]CCOC(F)F)c1ncn(C)n1 ZINC000851965651 588648272 /nfs/dbraw/zinc/64/82/72/588648272.db2.gz SRZATOJAANGZJB-ZCFIWIBFSA-N 1 2 220.223 0.705 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cnon1 ZINC000851996609 588653490 /nfs/dbraw/zinc/65/34/90/588653490.db2.gz XNCYVKQZZRGWSC-SNVBAGLBSA-N 1 2 240.307 0.222 20 0 BCADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cnon1 ZINC000851996609 588653491 /nfs/dbraw/zinc/65/34/91/588653491.db2.gz XNCYVKQZZRGWSC-SNVBAGLBSA-N 1 2 240.307 0.222 20 0 BCADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cnon1 ZINC000851996609 588653492 /nfs/dbraw/zinc/65/34/92/588653492.db2.gz XNCYVKQZZRGWSC-SNVBAGLBSA-N 1 2 240.307 0.222 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852005402 588654256 /nfs/dbraw/zinc/65/42/56/588654256.db2.gz UDLLRKSXURSUON-BDAKNGLRSA-N 1 2 231.292 0.631 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852005402 588654257 /nfs/dbraw/zinc/65/42/57/588654257.db2.gz UDLLRKSXURSUON-BDAKNGLRSA-N 1 2 231.292 0.631 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014590 588655543 /nfs/dbraw/zinc/65/55/43/588655543.db2.gz OFAJWZQHLNLKCK-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014590 588655544 /nfs/dbraw/zinc/65/55/44/588655544.db2.gz OFAJWZQHLNLKCK-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO CCn1ncc(C[NH2+][C@@](C)(C(N)=O)C(C)C)n1 ZINC000852038924 588656943 /nfs/dbraw/zinc/65/69/43/588656943.db2.gz AMHCNVQDANOCCH-LLVKDONJSA-N 1 2 239.323 0.288 20 0 BCADLO CC1(C)OC[C@H](C[NH2+][C@]2(C)CCOC2=O)O1 ZINC000852063520 588658424 /nfs/dbraw/zinc/65/84/24/588658424.db2.gz QOMJYADVKJMPFD-GZMMTYOYSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)/C(C)=C/CN1CCn2c[nH+]cc2C1 ZINC000852061211 588658497 /nfs/dbraw/zinc/65/84/97/588658497.db2.gz PQDBBSVBSPLTFQ-XCVCLJGOSA-N 1 2 235.287 0.818 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000852071289 588659537 /nfs/dbraw/zinc/65/95/37/588659537.db2.gz KSMAMEKJQMCYOG-VIFPVBQESA-N 1 2 239.262 0.963 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CCOC(F)F ZINC000852071289 588659538 /nfs/dbraw/zinc/65/95/38/588659538.db2.gz KSMAMEKJQMCYOG-VIFPVBQESA-N 1 2 239.262 0.963 20 0 BCADLO CCn1ncc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000852076776 588659621 /nfs/dbraw/zinc/65/96/21/588659621.db2.gz KRSWOPRDRYMPKD-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000852076776 588659622 /nfs/dbraw/zinc/65/96/22/588659622.db2.gz KRSWOPRDRYMPKD-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO COC[C@H](C[N@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000852078484 588660117 /nfs/dbraw/zinc/66/01/17/588660117.db2.gz CONBDSCSMHSUOU-UWVGGRQHSA-N 1 2 245.319 0.674 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000852078484 588660118 /nfs/dbraw/zinc/66/01/18/588660118.db2.gz CONBDSCSMHSUOU-UWVGGRQHSA-N 1 2 245.319 0.674 20 0 BCADLO C[N@H+](C[C@@H]1CCC(=O)O1)[C@@H]1CC(C)(C)OC1=O ZINC000852080480 588660693 /nfs/dbraw/zinc/66/06/93/588660693.db2.gz ZWUKJWLWIPRIQT-DTWKUNHWSA-N 1 2 241.287 0.718 20 0 BCADLO C[N@@H+](C[C@@H]1CCC(=O)O1)[C@@H]1CC(C)(C)OC1=O ZINC000852080480 588660694 /nfs/dbraw/zinc/66/06/94/588660694.db2.gz ZWUKJWLWIPRIQT-DTWKUNHWSA-N 1 2 241.287 0.718 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2cnon2)CCC1=O ZINC000852085293 588660897 /nfs/dbraw/zinc/66/08/97/588660897.db2.gz HJCNCHASKAXDHH-VIFPVBQESA-N 1 2 224.264 0.122 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2cnon2)CCC1=O ZINC000852085293 588660898 /nfs/dbraw/zinc/66/08/98/588660898.db2.gz HJCNCHASKAXDHH-VIFPVBQESA-N 1 2 224.264 0.122 20 0 BCADLO O[C@H](C[N@H+](C1CC1)C1COC1)c1ccccn1 ZINC000852097230 588662144 /nfs/dbraw/zinc/66/21/44/588662144.db2.gz SLOGKCNVHZEPKM-CYBMUJFWSA-N 1 2 234.299 0.978 20 0 BCADLO O[C@H](C[N@@H+](C1CC1)C1COC1)c1ccccn1 ZINC000852097230 588662145 /nfs/dbraw/zinc/66/21/45/588662145.db2.gz SLOGKCNVHZEPKM-CYBMUJFWSA-N 1 2 234.299 0.978 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@](O)(C(F)F)C2)n1 ZINC000852122567 588665590 /nfs/dbraw/zinc/66/55/90/588665590.db2.gz GMJYXIQFVITZIC-SECBINFHSA-N 1 2 232.234 0.017 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@](O)(C(F)F)C2)n1 ZINC000852122567 588665591 /nfs/dbraw/zinc/66/55/91/588665591.db2.gz GMJYXIQFVITZIC-SECBINFHSA-N 1 2 232.234 0.017 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCCCCO ZINC000852158490 588668112 /nfs/dbraw/zinc/66/81/12/588668112.db2.gz WZHRHUWFYAXYLP-LLVKDONJSA-N 1 2 233.308 0.053 20 0 BCADLO COCC1(C[NH2+][C@](C)(CO)C(=O)OC)CCC1 ZINC000852160009 588668194 /nfs/dbraw/zinc/66/81/94/588668194.db2.gz XAQPZKCOXGNINR-LLVKDONJSA-N 1 2 245.319 0.317 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000852178646 588669895 /nfs/dbraw/zinc/66/98/95/588669895.db2.gz YQMQLEMNFXFMSU-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000852178646 588669896 /nfs/dbraw/zinc/66/98/96/588669896.db2.gz YQMQLEMNFXFMSU-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1(O)CCCCC1 ZINC000852191664 588671045 /nfs/dbraw/zinc/67/10/45/588671045.db2.gz MXDURSSZHSNFGA-UHFFFAOYSA-N 1 2 241.291 0.902 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1(O)CCCCC1 ZINC000852191664 588671046 /nfs/dbraw/zinc/67/10/46/588671046.db2.gz MXDURSSZHSNFGA-UHFFFAOYSA-N 1 2 241.291 0.902 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187809 588671158 /nfs/dbraw/zinc/67/11/58/588671158.db2.gz UKZPXAFKTGZGNS-JGVFFNPUSA-N 1 2 227.264 0.775 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187809 588671159 /nfs/dbraw/zinc/67/11/59/588671159.db2.gz UKZPXAFKTGZGNS-JGVFFNPUSA-N 1 2 227.264 0.775 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H](O)c2ccccn2)n1 ZINC000852218480 588673559 /nfs/dbraw/zinc/67/35/59/588673559.db2.gz IXDCVULBDKVMBP-LLVKDONJSA-N 1 2 248.286 0.938 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H](O)c2ccccn2)n1 ZINC000852218480 588673560 /nfs/dbraw/zinc/67/35/60/588673560.db2.gz IXDCVULBDKVMBP-LLVKDONJSA-N 1 2 248.286 0.938 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852218478 588673754 /nfs/dbraw/zinc/67/37/54/588673754.db2.gz IVFMVLGBIHRIPS-QMMMGPOBSA-N 1 2 225.248 0.515 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852218478 588673755 /nfs/dbraw/zinc/67/37/55/588673755.db2.gz IVFMVLGBIHRIPS-QMMMGPOBSA-N 1 2 225.248 0.515 20 0 BCADLO CN(Cc1cnn(C)n1)Cc1c[nH+]c[nH]1 ZINC000852287806 588675742 /nfs/dbraw/zinc/67/57/42/588675742.db2.gz GGMUOURRCGFMPV-UHFFFAOYSA-N 1 2 206.253 0.170 20 0 BCADLO CN(Cc1cnn(C)n1)Cc1c[nH]c[nH+]1 ZINC000852287806 588675743 /nfs/dbraw/zinc/67/57/43/588675743.db2.gz GGMUOURRCGFMPV-UHFFFAOYSA-N 1 2 206.253 0.170 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852288322 588675789 /nfs/dbraw/zinc/67/57/89/588675789.db2.gz NIFRSPLXFVLUPM-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852288322 588675790 /nfs/dbraw/zinc/67/57/90/588675790.db2.gz NIFRSPLXFVLUPM-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852288322 588675791 /nfs/dbraw/zinc/67/57/91/588675791.db2.gz NIFRSPLXFVLUPM-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852288322 588675792 /nfs/dbraw/zinc/67/57/92/588675792.db2.gz NIFRSPLXFVLUPM-JTQLQIEISA-N 1 2 235.287 0.937 20 0 BCADLO CCCS(=O)(=O)CCN(C)Cc1c[nH+]c[nH]1 ZINC000852284064 588675913 /nfs/dbraw/zinc/67/59/13/588675913.db2.gz GMOMIVMZFKMCKQ-UHFFFAOYSA-N 1 2 245.348 0.666 20 0 BCADLO CCCS(=O)(=O)CCN(C)Cc1c[nH]c[nH+]1 ZINC000852284064 588675914 /nfs/dbraw/zinc/67/59/14/588675914.db2.gz GMOMIVMZFKMCKQ-UHFFFAOYSA-N 1 2 245.348 0.666 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOCC(F)F ZINC000852290962 588676611 /nfs/dbraw/zinc/67/66/11/588676611.db2.gz NSNACLYVOIWMSI-UHFFFAOYSA-N 1 2 234.206 0.748 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOCC(F)F ZINC000852290962 588676612 /nfs/dbraw/zinc/67/66/12/588676612.db2.gz NSNACLYVOIWMSI-UHFFFAOYSA-N 1 2 234.206 0.748 20 0 BCADLO CSCCONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852294567 588676830 /nfs/dbraw/zinc/67/68/30/588676830.db2.gz BKJSXGCCZVQTKV-UHFFFAOYSA-N 1 2 244.320 0.846 20 0 BCADLO CSCCONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852294567 588676831 /nfs/dbraw/zinc/67/68/31/588676831.db2.gz BKJSXGCCZVQTKV-UHFFFAOYSA-N 1 2 244.320 0.846 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000852343470 588679115 /nfs/dbraw/zinc/67/91/15/588679115.db2.gz CXGXWZAHSXJUAM-KOLCDFICSA-N 1 2 238.291 0.397 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000852361769 588679876 /nfs/dbraw/zinc/67/98/76/588679876.db2.gz FXUUOBXZBACJHX-DTWKUNHWSA-N 1 2 238.291 0.662 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CC[S@@](C)=O ZINC000852443998 588682621 /nfs/dbraw/zinc/68/26/21/588682621.db2.gz QVTPBFRJQLCHTP-CCRXRLBGSA-N 1 2 231.317 0.002 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CC[S@@](C)=O ZINC000852443998 588682622 /nfs/dbraw/zinc/68/26/22/588682622.db2.gz QVTPBFRJQLCHTP-CCRXRLBGSA-N 1 2 231.317 0.002 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NCC1CC1 ZINC000852481026 588684205 /nfs/dbraw/zinc/68/42/05/588684205.db2.gz GBFXTXKCLHNRIT-UHFFFAOYSA-N 1 2 232.299 0.431 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NCC1CC1 ZINC000852481026 588684206 /nfs/dbraw/zinc/68/42/06/588684206.db2.gz GBFXTXKCLHNRIT-UHFFFAOYSA-N 1 2 232.299 0.431 20 0 BCADLO COCC[N@H+](CCF)[C@@H]1CCCNC1=O ZINC000852482564 588684615 /nfs/dbraw/zinc/68/46/15/588684615.db2.gz IJDFMNXOESWSOS-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO COCC[N@@H+](CCF)[C@@H]1CCCNC1=O ZINC000852482564 588684616 /nfs/dbraw/zinc/68/46/16/588684616.db2.gz IJDFMNXOESWSOS-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NC(C)(C)C ZINC000852485203 588685143 /nfs/dbraw/zinc/68/51/43/588685143.db2.gz SPPDWINMUNAEOP-UHFFFAOYSA-N 1 2 234.315 0.819 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NC(C)(C)C ZINC000852485203 588685144 /nfs/dbraw/zinc/68/51/44/588685144.db2.gz SPPDWINMUNAEOP-UHFFFAOYSA-N 1 2 234.315 0.819 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000852494701 588685631 /nfs/dbraw/zinc/68/56/31/588685631.db2.gz FDUJIXIJEJCUKA-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000852494701 588685632 /nfs/dbraw/zinc/68/56/32/588685632.db2.gz FDUJIXIJEJCUKA-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cnns1 ZINC000852568356 588691199 /nfs/dbraw/zinc/69/11/99/588691199.db2.gz AQBPDLPEVBNYLM-UHFFFAOYSA-N 1 2 244.320 0.668 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cnns1 ZINC000852568356 588691200 /nfs/dbraw/zinc/69/12/00/588691200.db2.gz AQBPDLPEVBNYLM-UHFFFAOYSA-N 1 2 244.320 0.668 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)C1CC1 ZINC000852578462 588691693 /nfs/dbraw/zinc/69/16/93/588691693.db2.gz NIUZDWWOXAWZCQ-KOLCDFICSA-N 1 2 233.283 0.638 20 0 BCADLO COC(C[N@@H+]1CCc2nccnc2C1)OC ZINC000852698609 588696531 /nfs/dbraw/zinc/69/65/31/588696531.db2.gz WHTWLKBEXBARTI-UHFFFAOYSA-N 1 2 223.276 0.454 20 0 BCADLO COC(C[N@H+]1CCc2nccnc2C1)OC ZINC000852698609 588696532 /nfs/dbraw/zinc/69/65/32/588696532.db2.gz WHTWLKBEXBARTI-UHFFFAOYSA-N 1 2 223.276 0.454 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCc3nccnc3C2)O1 ZINC000852697516 588696614 /nfs/dbraw/zinc/69/66/14/588696614.db2.gz FFGOUEQJHSEFON-SNVBAGLBSA-N 1 2 249.314 0.986 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCc3nccnc3C2)O1 ZINC000852697516 588696615 /nfs/dbraw/zinc/69/66/15/588696615.db2.gz FFGOUEQJHSEFON-SNVBAGLBSA-N 1 2 249.314 0.986 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCc2nccnc2C1 ZINC000852699160 588696703 /nfs/dbraw/zinc/69/67/03/588696703.db2.gz CNFNQNGQSYYVLZ-XCVCLJGOSA-N 1 2 247.298 0.954 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCc2nccnc2C1 ZINC000852699160 588696704 /nfs/dbraw/zinc/69/67/04/588696704.db2.gz CNFNQNGQSYYVLZ-XCVCLJGOSA-N 1 2 247.298 0.954 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC(=O)O2)s1 ZINC000852746121 588698876 /nfs/dbraw/zinc/69/88/76/588698876.db2.gz ISBMUELYMWBGGN-QMMMGPOBSA-N 1 2 241.316 0.984 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC(=O)O2)s1 ZINC000852746121 588698877 /nfs/dbraw/zinc/69/88/77/588698877.db2.gz ISBMUELYMWBGGN-QMMMGPOBSA-N 1 2 241.316 0.984 20 0 BCADLO Cc1ccnn1CC(=O)NCCc1c[nH+]cn1C ZINC000860728796 589116782 /nfs/dbraw/zinc/11/67/82/589116782.db2.gz YPWVBBIMYAMCOX-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000118394221 589169332 /nfs/dbraw/zinc/16/93/32/589169332.db2.gz DABPQZCDMFIDAL-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000118394221 589169334 /nfs/dbraw/zinc/16/93/34/589169334.db2.gz DABPQZCDMFIDAL-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[NH+]1CCN(CCS(=O)(=O)CC)CC1 ZINC000118390189 589169885 /nfs/dbraw/zinc/16/98/85/589169885.db2.gz HDKKIOKILVNNRG-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO COC/C=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762517 589176876 /nfs/dbraw/zinc/17/68/76/589176876.db2.gz WODLQKGDHBEOEH-IHWYPQMZSA-N 1 2 221.260 0.497 20 0 BCADLO COC/C=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762517 589176877 /nfs/dbraw/zinc/17/68/77/589176877.db2.gz WODLQKGDHBEOEH-IHWYPQMZSA-N 1 2 221.260 0.497 20 0 BCADLO O=Cc1c[nH]c(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000861761874 589177284 /nfs/dbraw/zinc/17/72/84/589177284.db2.gz AWISZEUEWCUFHR-UHFFFAOYSA-N 1 2 244.254 0.749 20 0 BCADLO O=Cc1c[nH]c(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000861761874 589177285 /nfs/dbraw/zinc/17/72/85/589177285.db2.gz AWISZEUEWCUFHR-UHFFFAOYSA-N 1 2 244.254 0.749 20 0 BCADLO CCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)COC1 ZINC000861760519 589177310 /nfs/dbraw/zinc/17/73/10/589177310.db2.gz HRHQOWPHTSGSPC-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO CCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)COC1 ZINC000861760519 589177311 /nfs/dbraw/zinc/17/73/11/589177311.db2.gz HRHQOWPHTSGSPC-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1cc(=O)[nH]cn1 ZINC000861854680 589180758 /nfs/dbraw/zinc/18/07/58/589180758.db2.gz ZHCBPZGHFRAKQT-SSDOTTSWSA-N 1 2 245.242 0.254 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1COCO1 ZINC000861980679 589189370 /nfs/dbraw/zinc/18/93/70/589189370.db2.gz HQWFLDADZNTEQX-PSASIEDQSA-N 1 2 239.275 0.077 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1COCO1 ZINC000861980679 589189371 /nfs/dbraw/zinc/18/93/71/589189371.db2.gz HQWFLDADZNTEQX-PSASIEDQSA-N 1 2 239.275 0.077 20 0 BCADLO Cc1[nH]c(CN2CCCC[C@H]2C(N)=O)[nH+]c1C ZINC000862213072 589194693 /nfs/dbraw/zinc/19/46/93/589194693.db2.gz MXUZTNXAKQYLSO-JTQLQIEISA-N 1 2 236.319 0.866 20 0 BCADLO Cc1ccnn1CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000862230031 589195898 /nfs/dbraw/zinc/19/58/98/589195898.db2.gz XBQCMBLOKHAPGE-JTQLQIEISA-N 1 2 247.302 0.802 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccnc(F)c2)C1 ZINC000862389077 589207627 /nfs/dbraw/zinc/20/76/27/589207627.db2.gz GDVACMJGWDQKSF-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(F)c1C ZINC000862418336 589211942 /nfs/dbraw/zinc/21/19/42/589211942.db2.gz NWHUHADZCQIELV-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(F)c1C ZINC000862418336 589211943 /nfs/dbraw/zinc/21/19/43/589211943.db2.gz NWHUHADZCQIELV-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000862539167 589218307 /nfs/dbraw/zinc/21/83/07/589218307.db2.gz KCFQKSJAKICAFI-QMMMGPOBSA-N 1 2 227.264 0.481 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3COC(=O)[C@@H]3C2)[nH+]c1C ZINC000862545919 589219730 /nfs/dbraw/zinc/21/97/30/589219730.db2.gz FFUTUSFWDITRIS-NXEZZACHSA-N 1 2 235.287 0.631 20 0 BCADLO CC/C=C(/C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862972406 589249832 /nfs/dbraw/zinc/24/98/32/589249832.db2.gz DFIFLCVAUAFWGD-GULOHRGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(/C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862972406 589249833 /nfs/dbraw/zinc/24/98/33/589249833.db2.gz DFIFLCVAUAFWGD-GULOHRGCSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000862971018 589249855 /nfs/dbraw/zinc/24/98/55/589249855.db2.gz OAYVENDPDDSUEV-ZJUUUORDSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000862971018 589249856 /nfs/dbraw/zinc/24/98/56/589249856.db2.gz OAYVENDPDDSUEV-ZJUUUORDSA-N 1 2 226.320 0.479 20 0 BCADLO CC/C(C)=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969627 589249986 /nfs/dbraw/zinc/24/99/86/589249986.db2.gz NPJCJOHHQRQTJY-BRNRAETOSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C(C)=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969627 589249988 /nfs/dbraw/zinc/24/99/88/589249988.db2.gz NPJCJOHHQRQTJY-BRNRAETOSA-N 1 2 226.320 0.790 20 0 BCADLO C/C(=C\C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000862972918 589250224 /nfs/dbraw/zinc/25/02/24/589250224.db2.gz HTLBECWCDBZOQT-PMDBQALLSA-N 1 2 238.331 0.790 20 0 BCADLO C/C(=C\C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000862972918 589250226 /nfs/dbraw/zinc/25/02/26/589250226.db2.gz HTLBECWCDBZOQT-PMDBQALLSA-N 1 2 238.331 0.790 20 0 BCADLO CC/C(C)=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969628 589250266 /nfs/dbraw/zinc/25/02/66/589250266.db2.gz NPJCJOHHQRQTJY-HUYFXPKMSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C(C)=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969628 589250268 /nfs/dbraw/zinc/25/02/68/589250268.db2.gz NPJCJOHHQRQTJY-HUYFXPKMSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(F)=C1CCC1 ZINC000862970027 589250326 /nfs/dbraw/zinc/25/03/26/589250326.db2.gz RYSMJHSXZGSTQV-SNVBAGLBSA-N 1 2 242.294 0.841 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(F)=C1CCC1 ZINC000862970027 589250327 /nfs/dbraw/zinc/25/03/27/589250327.db2.gz RYSMJHSXZGSTQV-SNVBAGLBSA-N 1 2 242.294 0.841 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000862971017 589250342 /nfs/dbraw/zinc/25/03/42/589250342.db2.gz OAYVENDPDDSUEV-UWVGGRQHSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000862971017 589250343 /nfs/dbraw/zinc/25/03/43/589250343.db2.gz OAYVENDPDDSUEV-UWVGGRQHSA-N 1 2 226.320 0.479 20 0 BCADLO FCC[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000863317665 589279342 /nfs/dbraw/zinc/27/93/42/589279342.db2.gz CVDFNTXCRUPQDY-VIFPVBQESA-N 1 2 214.244 0.296 20 0 BCADLO FCC[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000863317665 589279343 /nfs/dbraw/zinc/27/93/43/589279343.db2.gz CVDFNTXCRUPQDY-VIFPVBQESA-N 1 2 214.244 0.296 20 0 BCADLO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC(C)(C)C ZINC000863385350 589285871 /nfs/dbraw/zinc/28/58/71/589285871.db2.gz JYWNRKOJYRRXDL-IWSPIJDZSA-N 1 2 242.319 0.570 20 0 BCADLO COC(=O)CCCCO[NH+]=C(N)[C@@H](C)OC ZINC000863458871 589289938 /nfs/dbraw/zinc/28/99/38/589289938.db2.gz HDYUIOQSJCHUSY-MRVPVSSYSA-N 1 2 232.280 0.863 20 0 BCADLO COc1cncc(CO[NH+]=C(N)[C@H](C)OC)n1 ZINC000863459841 589290034 /nfs/dbraw/zinc/29/00/34/589290034.db2.gz SSPUBLDTRHOGLM-ZETCQYMHSA-N 1 2 240.263 0.519 20 0 BCADLO COC1CC(O[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000863473018 589291216 /nfs/dbraw/zinc/29/12/16/589291216.db2.gz XGJSDAKRKQYUOW-AMDVSUOASA-N 1 2 214.265 0.841 20 0 BCADLO O=C(CCc1cn[nH]c1)NCCn1cc[nH+]c1 ZINC000863858090 589323583 /nfs/dbraw/zinc/32/35/83/589323583.db2.gz KCWKSRXDOIOCBN-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO COC1C[NH+](C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000863970918 589330354 /nfs/dbraw/zinc/33/03/54/589330354.db2.gz XDXPWNZDRFXPAQ-ZYHUDNBSSA-N 1 2 229.320 0.229 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1(CO)CC1 ZINC000864068689 589338229 /nfs/dbraw/zinc/33/82/29/589338229.db2.gz UXNZJIPJHBCGGI-QMMMGPOBSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1(CO)CC1 ZINC000864068689 589338231 /nfs/dbraw/zinc/33/82/31/589338231.db2.gz UXNZJIPJHBCGGI-QMMMGPOBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000864078516 589340935 /nfs/dbraw/zinc/34/09/35/589340935.db2.gz KLPHIIBHSBYBOY-QWRGUYRKSA-N 1 2 235.287 0.636 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000864078516 589340937 /nfs/dbraw/zinc/34/09/37/589340937.db2.gz KLPHIIBHSBYBOY-QWRGUYRKSA-N 1 2 235.287 0.636 20 0 BCADLO CSC(C)(C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864079347 589341163 /nfs/dbraw/zinc/34/11/63/589341163.db2.gz WNLJJICKTMMXNO-VIFPVBQESA-N 1 2 246.376 0.263 20 0 BCADLO CSC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864079347 589341165 /nfs/dbraw/zinc/34/11/65/589341165.db2.gz WNLJJICKTMMXNO-VIFPVBQESA-N 1 2 246.376 0.263 20 0 BCADLO C[C@@H](O)[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000864093163 589344210 /nfs/dbraw/zinc/34/42/10/589344210.db2.gz IYLQIPBFAAJHRC-QXFUBDJGSA-N 1 2 226.276 0.289 20 0 BCADLO C[C@H](O)c1cccc(NC[C@H](O)[C@H](C)O)[nH+]1 ZINC000864093161 589344335 /nfs/dbraw/zinc/34/43/35/589344335.db2.gz IYLQIPBFAAJHRC-NRPADANISA-N 1 2 226.276 0.289 20 0 BCADLO C[C@H](O)c1cccc(NC[C@@H](O)[C@H](C)O)[nH+]1 ZINC000864093162 589344559 /nfs/dbraw/zinc/34/45/59/589344559.db2.gz IYLQIPBFAAJHRC-OYNCUSHFSA-N 1 2 226.276 0.289 20 0 BCADLO Cc1cnc(F)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000864381673 589357043 /nfs/dbraw/zinc/35/70/43/589357043.db2.gz GKDKIFMMEYKHNB-UHFFFAOYSA-N 1 2 237.278 0.917 20 0 BCADLO CC[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864385556 589357188 /nfs/dbraw/zinc/35/71/88/589357188.db2.gz OPXGMOGHZOEWFS-WYGGZMRJSA-N 1 2 226.320 0.790 20 0 BCADLO CCON(CC)C(=O)NCCn1cc[nH+]c1 ZINC000864427071 589358418 /nfs/dbraw/zinc/35/84/18/589358418.db2.gz HQSXXABULPGXCA-UHFFFAOYSA-N 1 2 226.280 0.866 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cccnc1 ZINC000864411881 589360161 /nfs/dbraw/zinc/36/01/61/589360161.db2.gz GLLWJFWIJROXRM-DUXPYHPUSA-N 1 2 247.298 0.909 20 0 BCADLO CC(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864429812 589362736 /nfs/dbraw/zinc/36/27/36/589362736.db2.gz CXVCBGCXGZRTOV-ONEGZZNKSA-N 1 2 226.320 0.647 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C2CCC1CC2 ZINC000864676408 589388987 /nfs/dbraw/zinc/38/89/87/589388987.db2.gz AUABTLNHLRBXIW-KTOWXAHTSA-N 1 2 221.260 0.597 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCC)CC(=O)NC ZINC000120169632 589388994 /nfs/dbraw/zinc/38/89/94/589388994.db2.gz XBAHTZZPUQKMII-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCC)CC(=O)NC ZINC000120169632 589388996 /nfs/dbraw/zinc/38/89/96/589388996.db2.gz XBAHTZZPUQKMII-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864720408 589391327 /nfs/dbraw/zinc/39/13/27/589391327.db2.gz OIJQXVXWEBUWDA-PLNGDYQASA-N 1 2 226.320 0.790 20 0 BCADLO CCCN(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864810783 589394922 /nfs/dbraw/zinc/39/49/22/589394922.db2.gz HUTOAYKENYOPDM-VIFPVBQESA-N 1 2 211.265 0.702 20 0 BCADLO CCCCN(CCO)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864816895 589396379 /nfs/dbraw/zinc/39/63/79/589396379.db2.gz UEQYYGJADOMKEI-SNVBAGLBSA-N 1 2 241.291 0.064 20 0 BCADLO COC/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864883396 589399829 /nfs/dbraw/zinc/39/98/29/589399829.db2.gz APHMQYRFCPJHHO-FSIBCCDJSA-N 1 2 223.276 0.590 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCSCC1 ZINC000864896095 589399903 /nfs/dbraw/zinc/39/99/03/589399903.db2.gz INLSRZIZOMRGAE-VIFPVBQESA-N 1 2 241.316 0.409 20 0 BCADLO CN(CC1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864930971 589401216 /nfs/dbraw/zinc/40/12/16/589401216.db2.gz RSBJZMCGGUKCGH-VIFPVBQESA-N 1 2 209.249 0.312 20 0 BCADLO C[N@H+](C/C=C/Cl)CC(=O)NC1CC1 ZINC000120440702 589415232 /nfs/dbraw/zinc/41/52/32/589415232.db2.gz YZBUWIBKJNGDMY-GORDUTHDSA-N 1 2 202.685 0.949 20 0 BCADLO C[N@@H+](C/C=C/Cl)CC(=O)NC1CC1 ZINC000120440702 589415233 /nfs/dbraw/zinc/41/52/33/589415233.db2.gz YZBUWIBKJNGDMY-GORDUTHDSA-N 1 2 202.685 0.949 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCCO1 ZINC000865131516 589410097 /nfs/dbraw/zinc/41/00/97/589410097.db2.gz QBOYJYHCPZGNHP-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865141634 589411245 /nfs/dbraw/zinc/41/12/45/589411245.db2.gz VPMZOIOCJLRZMT-LVUHIJSRSA-N 1 2 224.304 0.399 20 0 BCADLO CN(CC(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865163973 589412443 /nfs/dbraw/zinc/41/24/43/589412443.db2.gz VJEGQDFHODBWSL-SSDOTTSWSA-N 1 2 219.191 0.167 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(CC(F)F)C1CC1 ZINC000865202010 589414152 /nfs/dbraw/zinc/41/41/52/589414152.db2.gz LYLYCTHPWAYDFQ-SECBINFHSA-N 1 2 245.229 0.699 20 0 BCADLO Cn1nnnc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376118 589428094 /nfs/dbraw/zinc/42/80/94/589428094.db2.gz ZVYAPJZLZLUPBN-UHFFFAOYSA-N 1 2 220.280 0.752 20 0 BCADLO CN(CCO)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865398472 589432524 /nfs/dbraw/zinc/43/25/24/589432524.db2.gz WHEDJEBPAJTKGZ-UHFFFAOYSA-N 1 2 237.307 0.540 20 0 BCADLO CN(CCO)c1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865398472 589432525 /nfs/dbraw/zinc/43/25/25/589432525.db2.gz WHEDJEBPAJTKGZ-UHFFFAOYSA-N 1 2 237.307 0.540 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865403025 589433182 /nfs/dbraw/zinc/43/31/82/589433182.db2.gz MPEABKUOYYFYJH-UHFFFAOYSA-N 1 2 222.292 0.396 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865403879 589433624 /nfs/dbraw/zinc/43/36/24/589433624.db2.gz SVMQIQJNBNXUDT-VIFPVBQESA-N 1 2 236.319 0.832 20 0 BCADLO C[C@@H](CO)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865430454 589435339 /nfs/dbraw/zinc/43/53/39/589435339.db2.gz WBQBTDKZDBEPLX-YFKPBYRVSA-N 1 2 226.667 0.826 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CCC1 ZINC000865569517 589446393 /nfs/dbraw/zinc/44/63/93/589446393.db2.gz LLKKUXQEYNZEEW-GORDUTHDSA-N 1 2 224.304 0.544 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H]1CCOC1=O ZINC000120645876 589451697 /nfs/dbraw/zinc/45/16/97/589451697.db2.gz NJONTSLQNSNOAP-VIFPVBQESA-N 1 2 243.303 0.871 20 0 BCADLO c1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[nH]n1 ZINC000865691677 589456479 /nfs/dbraw/zinc/45/64/79/589456479.db2.gz DERGOEQXQQRVLD-HKWYAPCNSA-N 1 2 219.288 0.923 20 0 BCADLO Cc1ncc(NCc2cn(C)c[nH+]2)cc1C(N)=O ZINC000865705157 589457661 /nfs/dbraw/zinc/45/76/61/589457661.db2.gz IELCYTRRKABCMX-UHFFFAOYSA-N 1 2 245.286 0.835 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@H]3C[C@@]3(CO)C2)[nH+]c1 ZINC000865710785 589457836 /nfs/dbraw/zinc/45/78/36/589457836.db2.gz CYBXMRPVPVDUEA-NDMJEZRESA-N 1 2 234.299 0.954 20 0 BCADLO CCCNc1cc(N2CN(C)C(=O)[C@H]2C)nc[nH+]1 ZINC000865902162 589468067 /nfs/dbraw/zinc/46/80/67/589468067.db2.gz PXFYBDXZYSOVML-SECBINFHSA-N 1 2 249.318 0.923 20 0 BCADLO CCCNc1cc(N2CN(C)C(=O)[C@H]2C)[nH+]cn1 ZINC000865902162 589468068 /nfs/dbraw/zinc/46/80/68/589468068.db2.gz PXFYBDXZYSOVML-SECBINFHSA-N 1 2 249.318 0.923 20 0 BCADLO Cc1ccn(C[C@H](C)C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000865993546 589471852 /nfs/dbraw/zinc/47/18/52/589471852.db2.gz XKTYRTBYJBAGKT-VIFPVBQESA-N 1 2 247.302 0.867 20 0 BCADLO Cc1ccn(C[C@H](C)C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000865993546 589471853 /nfs/dbraw/zinc/47/18/53/589471853.db2.gz XKTYRTBYJBAGKT-VIFPVBQESA-N 1 2 247.302 0.867 20 0 BCADLO CC1(C)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866002157 589472084 /nfs/dbraw/zinc/47/20/84/589472084.db2.gz ZIEUXULZIMONHG-ARJAWSKDSA-N 1 2 238.331 0.886 20 0 BCADLO C[C@@H](O)c1ccc(N[C@@H]2COC[C@@H]2O)[nH+]c1 ZINC000866006251 589472518 /nfs/dbraw/zinc/47/25/18/589472518.db2.gz JIQABWLDUXOHNY-QNSHHTMESA-N 1 2 224.260 0.307 20 0 BCADLO Cc1nc(N2C[C@@H](O)CC(C)(C)C2)nc(N)[nH+]1 ZINC000866229110 589481956 /nfs/dbraw/zinc/48/19/56/589481956.db2.gz PPIUKBWMUGHFJZ-QMMMGPOBSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](O)CC(C)(C)C2)[nH+]1 ZINC000866229110 589481957 /nfs/dbraw/zinc/48/19/57/589481957.db2.gz PPIUKBWMUGHFJZ-QMMMGPOBSA-N 1 2 237.307 0.359 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866541530 589500228 /nfs/dbraw/zinc/50/02/28/589500228.db2.gz NYFRVZGAKCYNTC-XKSSXDPKSA-N 1 2 223.276 0.843 20 0 BCADLO COC/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537357 589524577 /nfs/dbraw/zinc/52/45/77/589524577.db2.gz IALZVARQDJUDFN-VMZHVLLKSA-N 1 2 235.287 0.517 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC2(C1)CCCC2 ZINC000867538630 589524686 /nfs/dbraw/zinc/52/46/86/589524686.db2.gz RKYNBRLVULMNOO-JTQLQIEISA-N 1 2 235.287 0.846 20 0 BCADLO COC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712203 589531860 /nfs/dbraw/zinc/53/18/60/589531860.db2.gz WDSLHESDNMTQBJ-QMMMGPOBSA-N 1 2 204.245 0.776 20 0 BCADLO COC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712203 589531862 /nfs/dbraw/zinc/53/18/62/589531862.db2.gz WDSLHESDNMTQBJ-QMMMGPOBSA-N 1 2 204.245 0.776 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867938099 589540641 /nfs/dbraw/zinc/54/06/41/589540641.db2.gz DIHVDIFSBQIBJC-ZXFLCMHBSA-N 1 2 209.249 0.452 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)[C@@H](C)O1 ZINC000868412862 589557724 /nfs/dbraw/zinc/55/77/24/589557724.db2.gz KAGQJVGDZYIXHD-FXPVBKGRSA-N 1 2 237.303 0.850 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC1OCCO1 ZINC000122153756 589557970 /nfs/dbraw/zinc/55/79/70/589557970.db2.gz JORSSTAXFJGNCU-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC1OCCO1 ZINC000122153756 589557972 /nfs/dbraw/zinc/55/79/72/589557972.db2.gz JORSSTAXFJGNCU-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000868485783 589560616 /nfs/dbraw/zinc/56/06/16/589560616.db2.gz DFRQISKHDHEZCV-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H](F)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868573404 589564741 /nfs/dbraw/zinc/56/47/41/589564741.db2.gz DHYSFAINANSDJK-OTDNITJGSA-N 1 2 244.310 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)[C@@H]1C ZINC000868577817 589565231 /nfs/dbraw/zinc/56/52/31/589565231.db2.gz SAAJNHCNKLTHAP-BLDJZWNYSA-N 1 2 238.331 0.742 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC(C)(F)F ZINC000868650437 589570190 /nfs/dbraw/zinc/57/01/90/589570190.db2.gz JNICEXDWUIGFSI-UHFFFAOYSA-N 1 2 232.234 0.875 20 0 BCADLO CS[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868655813 589570520 /nfs/dbraw/zinc/57/05/20/589570520.db2.gz UXIOZJAALMSKJC-VXNVDRBHSA-N 1 2 241.316 0.407 20 0 BCADLO CN(C[C@H]1CC1(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869326378 589599171 /nfs/dbraw/zinc/59/91/71/589599171.db2.gz RZSJWCZQMIFCMI-PSASIEDQSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C ZINC000871759953 589808074 /nfs/dbraw/zinc/80/80/74/589808074.db2.gz AQNSWCJSMRIIQL-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N(C)C ZINC000871759953 589808076 /nfs/dbraw/zinc/80/80/76/589808076.db2.gz AQNSWCJSMRIIQL-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@@H](O[NH+]=C(N)COC1CCC1)C(N)=O ZINC000871778565 589813526 /nfs/dbraw/zinc/81/35/26/589813526.db2.gz NUSFKXWKJOOWJG-MRVPVSSYSA-N 1 2 229.280 0.318 20 0 BCADLO Cn1ccc(CO[NH+]=C(N)COC2CCC2)n1 ZINC000871776203 589814047 /nfs/dbraw/zinc/81/40/47/589814047.db2.gz TUUGWPZDZBLPGK-UHFFFAOYSA-N 1 2 238.291 0.988 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@H](O)CCC(C)C)C1 ZINC000871992345 589854965 /nfs/dbraw/zinc/85/49/65/589854965.db2.gz XCJLIYLUPOGLBU-SNVBAGLBSA-N 1 2 245.319 0.003 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872198256 589889714 /nfs/dbraw/zinc/88/97/14/589889714.db2.gz MMVRNDODJKVESV-JTQLQIEISA-N 1 2 227.308 0.330 20 0 BCADLO CC(=O)CC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124217332 589965112 /nfs/dbraw/zinc/96/51/12/589965112.db2.gz UVUVMKLZSOUEIV-UHFFFAOYSA-N 1 2 235.349 0.721 20 0 BCADLO CC(=O)CC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124217332 589965114 /nfs/dbraw/zinc/96/51/14/589965114.db2.gz UVUVMKLZSOUEIV-UHFFFAOYSA-N 1 2 235.349 0.721 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872679675 589960734 /nfs/dbraw/zinc/96/07/34/589960734.db2.gz QTKDWOHOUMCLTO-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872679675 589960736 /nfs/dbraw/zinc/96/07/36/589960736.db2.gz QTKDWOHOUMCLTO-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000873134236 589986179 /nfs/dbraw/zinc/98/61/79/589986179.db2.gz YYAKFBOQSVZIOK-SECBINFHSA-N 1 2 230.308 0.601 20 0 BCADLO CC[C@H](OC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)=O ZINC000873363833 590030456 /nfs/dbraw/zinc/03/04/56/590030456.db2.gz VFYNXBMPIHKKRY-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO CC[C@H](OC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)=O ZINC000873363833 590030457 /nfs/dbraw/zinc/03/04/57/590030457.db2.gz VFYNXBMPIHKKRY-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO C[NH+](C)CC1(C(=O)NO[C@H]2CCCCO2)CC1 ZINC000874261885 590100539 /nfs/dbraw/zinc/10/05/39/590100539.db2.gz AYZSQYRBCAQOEY-JTQLQIEISA-N 1 2 242.319 0.903 20 0 BCADLO C[C@H](O)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124935974 590103025 /nfs/dbraw/zinc/10/30/25/590103025.db2.gz ANNJKAAMWQFQDS-IUCAKERBSA-N 1 2 210.277 0.952 20 0 BCADLO C[C@@H](O)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124935172 590103226 /nfs/dbraw/zinc/10/32/26/590103226.db2.gz ANNJKAAMWQFQDS-RKDXNWHRSA-N 1 2 210.277 0.952 20 0 BCADLO CCONC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000124985979 590107530 /nfs/dbraw/zinc/10/75/30/590107530.db2.gz JYWYDTPKDKWAIR-NXEZZACHSA-N 1 2 245.323 0.346 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CSC ZINC000874699355 590124315 /nfs/dbraw/zinc/12/43/15/590124315.db2.gz RGRKNZHHOREYQU-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CSC ZINC000874699355 590124317 /nfs/dbraw/zinc/12/43/17/590124317.db2.gz RGRKNZHHOREYQU-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874698623 590124462 /nfs/dbraw/zinc/12/44/62/590124462.db2.gz IRNOPCNSARFYDB-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874698623 590124463 /nfs/dbraw/zinc/12/44/63/590124463.db2.gz IRNOPCNSARFYDB-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C ZINC000874699591 590124542 /nfs/dbraw/zinc/12/45/42/590124542.db2.gz SOIGKTXWNONVIR-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C ZINC000874699591 590124543 /nfs/dbraw/zinc/12/45/43/590124543.db2.gz SOIGKTXWNONVIR-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CCOC1CC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)C1 ZINC000874802043 590138563 /nfs/dbraw/zinc/13/85/63/590138563.db2.gz SNBZTQNPGWWTKI-AKJDGMEZSA-N 1 2 249.314 0.957 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC(F)(F)C2)C1 ZINC000874855531 590148302 /nfs/dbraw/zinc/14/83/02/590148302.db2.gz YVTLVGXIAONHOS-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC(F)(F)C2)C1 ZINC000874855531 590148303 /nfs/dbraw/zinc/14/83/03/590148303.db2.gz YVTLVGXIAONHOS-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO COCC1(N(C)C(=O)Cn2cc[nH+]c2)CCC1 ZINC000874937775 590156361 /nfs/dbraw/zinc/15/63/61/590156361.db2.gz MIVCRVHFENQWAF-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCC1OCCO1)C1CC1 ZINC000125304432 590161096 /nfs/dbraw/zinc/16/10/96/590161096.db2.gz AXXOZEIGLVHEEJ-GFCCVEGCSA-N 1 2 243.303 0.681 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N2CC=CC2)CCO1 ZINC000875194881 590161885 /nfs/dbraw/zinc/16/18/85/590161885.db2.gz NJRMGVSCBQTJDK-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CC=CC2)CCO1 ZINC000875194881 590161888 /nfs/dbraw/zinc/16/18/88/590161888.db2.gz NJRMGVSCBQTJDK-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)Nc1ncccn1 ZINC000888671798 590163579 /nfs/dbraw/zinc/16/35/79/590163579.db2.gz BZDVBONXSYITBR-UHFFFAOYSA-N 1 2 246.274 0.885 20 0 BCADLO CCON(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000875659039 590167812 /nfs/dbraw/zinc/16/78/12/590167812.db2.gz OZXGGRGXLPOUDY-UHFFFAOYSA-N 1 2 240.307 0.946 20 0 BCADLO CCCONC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875689866 590168235 /nfs/dbraw/zinc/16/82/35/590168235.db2.gz XIZCBNLKQWMUCF-QMMMGPOBSA-N 1 2 224.264 0.449 20 0 BCADLO CCON(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875864030 590174209 /nfs/dbraw/zinc/17/42/09/590174209.db2.gz NGHBWEICKGXRID-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CCON(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875864030 590174211 /nfs/dbraw/zinc/17/42/11/590174211.db2.gz NGHBWEICKGXRID-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO O=C(Nc1ncccn1)N[C@@H]1CCn2cc[nH+]c21 ZINC000888702644 590189106 /nfs/dbraw/zinc/18/91/06/590189106.db2.gz VNIAVXZUWYXNOS-MRVPVSSYSA-N 1 2 244.258 0.940 20 0 BCADLO CC[C@H](NC(=O)NCc1c[nH+]cn1C)[C@H](C)O ZINC000876305431 590194232 /nfs/dbraw/zinc/19/42/32/590194232.db2.gz IGSYJIHPRKHCOH-WPRPVWTQSA-N 1 2 240.307 0.379 20 0 BCADLO CC[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@@H](C)O ZINC000876305428 590194261 /nfs/dbraw/zinc/19/42/61/590194261.db2.gz IGSYJIHPRKHCOH-PSASIEDQSA-N 1 2 240.307 0.379 20 0 BCADLO CCn1ncnc1C[NH2+]CC1(C)OCCO1 ZINC000877117995 590288319 /nfs/dbraw/zinc/28/83/19/590288319.db2.gz IASRJHLANVYFOE-UHFFFAOYSA-N 1 2 226.280 0.151 20 0 BCADLO O=S1(=O)CCC(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000877559184 590354243 /nfs/dbraw/zinc/35/42/43/590354243.db2.gz JMQJUMQHTKBKHS-SNVBAGLBSA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CCC(C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000877559184 590354245 /nfs/dbraw/zinc/35/42/45/590354245.db2.gz JMQJUMQHTKBKHS-SNVBAGLBSA-N 1 2 235.324 0.855 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000877563755 590361178 /nfs/dbraw/zinc/36/11/78/590361178.db2.gz PFRVWOJJUKCEOC-SECBINFHSA-N 1 2 232.234 0.017 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000877563755 590361179 /nfs/dbraw/zinc/36/11/79/590361179.db2.gz PFRVWOJJUKCEOC-SECBINFHSA-N 1 2 232.234 0.017 20 0 BCADLO COC1C[NH+](Cc2cnc3c(cnn3C)c2)C1 ZINC000877580075 590365087 /nfs/dbraw/zinc/36/50/87/590365087.db2.gz LAAAXZGCBAQAPI-UHFFFAOYSA-N 1 2 232.287 0.799 20 0 BCADLO Cc1cnc(C[NH2+]CCS(=O)(=O)C2CC2)o1 ZINC000877591250 590368750 /nfs/dbraw/zinc/36/87/50/590368750.db2.gz QIAXOIRBXYMYFN-UHFFFAOYSA-N 1 2 244.316 0.650 20 0 BCADLO O=C1NCC2(C[NH+](CCC3CCOCC3)C2)O1 ZINC000877596967 590370017 /nfs/dbraw/zinc/37/00/17/590370017.db2.gz WBQICFCQSAHAIB-UHFFFAOYSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1nc(Cl)cs1 ZINC000877620625 590376313 /nfs/dbraw/zinc/37/63/13/590376313.db2.gz VBFHJOYKZPUADE-YFKPBYRVSA-N 1 2 231.708 0.775 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1nc(Cl)cs1 ZINC000877667990 590389595 /nfs/dbraw/zinc/38/95/95/590389595.db2.gz LIETYXVPCVJXJQ-NTSWFWBYSA-N 1 2 234.708 0.646 20 0 BCADLO COCC1(C2CC2)C[NH+](Cc2cnn(C)n2)C1 ZINC000877685582 590391701 /nfs/dbraw/zinc/39/17/01/590391701.db2.gz BQZBKAJCWPVFIY-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1O ZINC000877748583 590412524 /nfs/dbraw/zinc/41/25/24/590412524.db2.gz FUVADAGCOZQDAN-BDAKNGLRSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000877748583 590412526 /nfs/dbraw/zinc/41/25/26/590412526.db2.gz FUVADAGCOZQDAN-BDAKNGLRSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1O ZINC000877748730 590413720 /nfs/dbraw/zinc/41/37/20/590413720.db2.gz KSZCPTSBQOHPLY-SFYZADRCSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1O ZINC000877748730 590413723 /nfs/dbraw/zinc/41/37/23/590413723.db2.gz KSZCPTSBQOHPLY-SFYZADRCSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(F)nc2)C[C@@H]1O ZINC000877749651 590414468 /nfs/dbraw/zinc/41/44/68/590414468.db2.gz PDTUHXSURBGHEZ-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)nc2)C[C@@H]1O ZINC000877749651 590414469 /nfs/dbraw/zinc/41/44/69/590414469.db2.gz PDTUHXSURBGHEZ-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877753117 590417140 /nfs/dbraw/zinc/41/71/40/590417140.db2.gz WDYNWOSMSWZKAW-SECBINFHSA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877753117 590417142 /nfs/dbraw/zinc/41/71/42/590417142.db2.gz WDYNWOSMSWZKAW-SECBINFHSA-N 1 2 215.293 0.642 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@@]2(C)CCCS2)C1 ZINC000877770617 590419441 /nfs/dbraw/zinc/41/94/41/590419441.db2.gz HMRHNVDTBBAKCO-SNVBAGLBSA-N 1 2 245.344 0.492 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@H](CC(C)C)OC)C1 ZINC000877770196 590419548 /nfs/dbraw/zinc/41/95/48/590419548.db2.gz BSEKYIOCNLSBKF-JTQLQIEISA-N 1 2 245.319 0.267 20 0 BCADLO Cc1cn[nH]c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877798506 590425127 /nfs/dbraw/zinc/42/51/27/590425127.db2.gz UZMSSERZQSMUSC-UHFFFAOYSA-N 1 2 239.319 0.285 20 0 BCADLO Cc1ccc(C[N@H+](C)CCS(N)(=O)=O)nc1 ZINC000877826842 590428894 /nfs/dbraw/zinc/42/88/94/590428894.db2.gz IEKGNJAJPAMQHP-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1ccc(C[N@@H+](C)CCS(N)(=O)=O)nc1 ZINC000877826842 590428896 /nfs/dbraw/zinc/42/88/96/590428896.db2.gz IEKGNJAJPAMQHP-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CCN1 ZINC000877905847 590444058 /nfs/dbraw/zinc/44/40/58/590444058.db2.gz CKIZOOALPKUNQA-JTQLQIEISA-N 1 2 224.304 0.520 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCN1 ZINC000877905847 590444060 /nfs/dbraw/zinc/44/40/60/590444060.db2.gz CKIZOOALPKUNQA-JTQLQIEISA-N 1 2 224.304 0.520 20 0 BCADLO CC[NH+](CC)Cc1nnc2c(=O)n(C)ccn12 ZINC000877929023 590450038 /nfs/dbraw/zinc/45/00/38/590450038.db2.gz QDYBMAHIELOZKF-UHFFFAOYSA-N 1 2 235.291 0.270 20 0 BCADLO C[N@H+](CCO)Cc1nc2c(o1)CCCC2 ZINC000877949461 590454714 /nfs/dbraw/zinc/45/47/14/590454714.db2.gz GMPICCADEKJDBA-UHFFFAOYSA-N 1 2 210.277 0.978 20 0 BCADLO C[N@@H+](CCO)Cc1nc2c(o1)CCCC2 ZINC000877949461 590454716 /nfs/dbraw/zinc/45/47/16/590454716.db2.gz GMPICCADEKJDBA-UHFFFAOYSA-N 1 2 210.277 0.978 20 0 BCADLO C[N@H+](CCO)Cc1nnc(-c2cccc(O)c2)o1 ZINC000877949645 590454896 /nfs/dbraw/zinc/45/48/96/590454896.db2.gz MLZBIDBHISQBML-UHFFFAOYSA-N 1 2 249.270 0.866 20 0 BCADLO C[N@@H+](CCO)Cc1nnc(-c2cccc(O)c2)o1 ZINC000877949645 590454898 /nfs/dbraw/zinc/45/48/98/590454898.db2.gz MLZBIDBHISQBML-UHFFFAOYSA-N 1 2 249.270 0.866 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878039835 590478463 /nfs/dbraw/zinc/47/84/63/590478463.db2.gz DTEMYGFNOZDCCX-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878039835 590478465 /nfs/dbraw/zinc/47/84/65/590478465.db2.gz DTEMYGFNOZDCCX-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO CC(C)[C@H](O)CC[N@H+](C)CCS(C)(=O)=O ZINC000878044151 590479066 /nfs/dbraw/zinc/47/90/66/590479066.db2.gz FWKRQEZKEXRJSW-SNVBAGLBSA-N 1 2 237.365 0.370 20 0 BCADLO CC(C)[C@H](O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000878044151 590479068 /nfs/dbraw/zinc/47/90/68/590479068.db2.gz FWKRQEZKEXRJSW-SNVBAGLBSA-N 1 2 237.365 0.370 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC000878476265 590573534 /nfs/dbraw/zinc/57/35/34/590573534.db2.gz YEAVGRJGBVFFBL-QWRGUYRKSA-N 1 2 229.320 0.935 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cnccn1 ZINC000878481686 590576423 /nfs/dbraw/zinc/57/64/23/590576423.db2.gz FVIYRUKMTHHKEK-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cnccn1 ZINC000878481686 590576424 /nfs/dbraw/zinc/57/64/24/590576424.db2.gz FVIYRUKMTHHKEK-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000878482062 590576744 /nfs/dbraw/zinc/57/67/44/590576744.db2.gz JGKXCNSVTRVUOP-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000878482062 590576746 /nfs/dbraw/zinc/57/67/46/590576746.db2.gz JGKXCNSVTRVUOP-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO CC(=O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000878507554 590582733 /nfs/dbraw/zinc/58/27/33/590582733.db2.gz YQNJEVQLSDJBEV-SSDOTTSWSA-N 1 2 209.253 0.248 20 0 BCADLO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878509945 590584276 /nfs/dbraw/zinc/58/42/76/590584276.db2.gz ZDIYQAPDRHVTHI-PSASIEDQSA-N 1 2 248.348 0.398 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878534143 590587949 /nfs/dbraw/zinc/58/79/49/590587949.db2.gz XOHHAYKZNVBEDX-HTQZYQBOSA-N 1 2 233.275 0.400 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CCn2cnnn2)n1 ZINC000878615291 590596181 /nfs/dbraw/zinc/59/61/81/590596181.db2.gz WXXQYPQQQKKPKU-VIFPVBQESA-N 1 2 249.278 0.202 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CCn2cnnn2)n1 ZINC000878615291 590596183 /nfs/dbraw/zinc/59/61/83/590596183.db2.gz WXXQYPQQQKKPKU-VIFPVBQESA-N 1 2 249.278 0.202 20 0 BCADLO CC(C)[C@H](O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000878633216 590598555 /nfs/dbraw/zinc/59/85/55/590598555.db2.gz WFTXANOIQJSQLC-KOLCDFICSA-N 1 2 215.293 0.689 20 0 BCADLO Cc1conc1C[N@@H+]1CCCN(C=O)CC1 ZINC000878637692 590598598 /nfs/dbraw/zinc/59/85/98/590598598.db2.gz JXONZKQVCTWGLW-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1conc1C[N@H+]1CCCN(C=O)CC1 ZINC000878637692 590598600 /nfs/dbraw/zinc/59/86/00/590598600.db2.gz JXONZKQVCTWGLW-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663963 590605269 /nfs/dbraw/zinc/60/52/69/590605269.db2.gz UXGLGXANACCJCW-SECBINFHSA-N 1 2 214.265 0.348 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663963 590605270 /nfs/dbraw/zinc/60/52/70/590605270.db2.gz UXGLGXANACCJCW-SECBINFHSA-N 1 2 214.265 0.348 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677616 590607893 /nfs/dbraw/zinc/60/78/93/590607893.db2.gz JWEYWJBAPPVJSU-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677616 590607894 /nfs/dbraw/zinc/60/78/94/590607894.db2.gz JWEYWJBAPPVJSU-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO CC1(C)COC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878683733 590609197 /nfs/dbraw/zinc/60/91/97/590609197.db2.gz GZAWULDOVZNJQR-MRVPVSSYSA-N 1 2 248.348 0.255 20 0 BCADLO CC[C@@H]1CN(CC)CC[N@@H+]1CCn1cnnn1 ZINC000878682991 590609593 /nfs/dbraw/zinc/60/95/93/590609593.db2.gz UWCCECAYCGQRFA-LLVKDONJSA-N 1 2 238.339 0.089 20 0 BCADLO CC[C@@H]1CN(CC)CC[N@H+]1CCn1cnnn1 ZINC000878682991 590609594 /nfs/dbraw/zinc/60/95/94/590609594.db2.gz UWCCECAYCGQRFA-LLVKDONJSA-N 1 2 238.339 0.089 20 0 BCADLO C=C/C=C\CC[NH2+][C@](C)(CO)C(=O)OC ZINC000878699999 590611700 /nfs/dbraw/zinc/61/17/00/590611700.db2.gz ZRLKYDNFNIFJPM-ISALQUGTSA-N 1 2 213.277 0.632 20 0 BCADLO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878706233 590611852 /nfs/dbraw/zinc/61/18/52/590611852.db2.gz UCVDDKFZNSDXSB-BDAKNGLRSA-N 1 2 248.348 0.398 20 0 BCADLO C=C/C=C/CC[NH2+][C@@](C)(CO)C(=O)OC ZINC000878700001 590612046 /nfs/dbraw/zinc/61/20/46/590612046.db2.gz ZRLKYDNFNIFJPM-QRGHLMKCSA-N 1 2 213.277 0.632 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)n[nH]1 ZINC000878712014 590613570 /nfs/dbraw/zinc/61/35/70/590613570.db2.gz ULZUEZCECRVNQU-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3ccnn3C)C2)n[nH]1 ZINC000878712014 590613571 /nfs/dbraw/zinc/61/35/71/590613571.db2.gz ULZUEZCECRVNQU-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC2OCCO2)[C@@H](C)C(=O)N1C ZINC000878752395 590618084 /nfs/dbraw/zinc/61/80/84/590618084.db2.gz NTTDKEIKKJCFHF-UTLUCORTSA-N 1 2 242.319 0.299 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC2OCCO2)[C@@H](C)C(=O)N1C ZINC000878752395 590618085 /nfs/dbraw/zinc/61/80/85/590618085.db2.gz NTTDKEIKKJCFHF-UTLUCORTSA-N 1 2 242.319 0.299 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC000878757370 590618664 /nfs/dbraw/zinc/61/86/64/590618664.db2.gz JVQPOWBTLGWRCG-UHFFFAOYSA-N 1 2 249.314 0.861 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCNC1=O ZINC000878770495 590620273 /nfs/dbraw/zinc/62/02/73/590620273.db2.gz YGIRUOOIEMMBNW-VIFPVBQESA-N 1 2 233.271 0.277 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000878771117 590620595 /nfs/dbraw/zinc/62/05/95/590620595.db2.gz CTMRULAEHAOMCL-BDAKNGLRSA-N 1 2 212.249 0.006 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000878771117 590620596 /nfs/dbraw/zinc/62/05/96/590620596.db2.gz CTMRULAEHAOMCL-BDAKNGLRSA-N 1 2 212.249 0.006 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC=C(Cl)C1 ZINC000878793259 590623978 /nfs/dbraw/zinc/62/39/78/590623978.db2.gz KQCAADCTFDHPHY-LURJTMIESA-N 1 2 231.683 0.398 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC=C(Cl)C1 ZINC000878793259 590623979 /nfs/dbraw/zinc/62/39/79/590623979.db2.gz KQCAADCTFDHPHY-LURJTMIESA-N 1 2 231.683 0.398 20 0 BCADLO Cc1conc1C[N@H+](C)C[C@H]1COCCO1 ZINC000878936996 590655837 /nfs/dbraw/zinc/65/58/37/590655837.db2.gz ZNCJXKDPEQIETC-JTQLQIEISA-N 1 2 226.276 0.830 20 0 BCADLO Cc1conc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000878936996 590655838 /nfs/dbraw/zinc/65/58/38/590655838.db2.gz ZNCJXKDPEQIETC-JTQLQIEISA-N 1 2 226.276 0.830 20 0 BCADLO CO[C@@H]1C[N@H+](CCCc2cnn(C)c2)CCO1 ZINC000878966254 590661872 /nfs/dbraw/zinc/66/18/72/590661872.db2.gz IQWNSVQABKWTCP-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCc2cnn(C)c2)CCO1 ZINC000878966254 590661875 /nfs/dbraw/zinc/66/18/75/590661875.db2.gz IQWNSVQABKWTCP-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CO[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000878969068 590663435 /nfs/dbraw/zinc/66/34/35/590663435.db2.gz JJVQBZDXJXXAAG-SSDOTTSWSA-N 1 2 211.208 0.530 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000878969068 590663437 /nfs/dbraw/zinc/66/34/37/590663437.db2.gz JJVQBZDXJXXAAG-SSDOTTSWSA-N 1 2 211.208 0.530 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970291 590664867 /nfs/dbraw/zinc/66/48/67/590664867.db2.gz MVTSWKJQAVKOGY-UWVGGRQHSA-N 1 2 241.287 0.387 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970291 590664871 /nfs/dbraw/zinc/66/48/71/590664871.db2.gz MVTSWKJQAVKOGY-UWVGGRQHSA-N 1 2 241.287 0.387 20 0 BCADLO c1nnnn1CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878977864 590665915 /nfs/dbraw/zinc/66/59/15/590665915.db2.gz MTOFPAZNEFYQAK-SNVBAGLBSA-N 1 2 245.290 0.300 20 0 BCADLO c1nnnn1CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878977864 590665919 /nfs/dbraw/zinc/66/59/19/590665919.db2.gz MTOFPAZNEFYQAK-SNVBAGLBSA-N 1 2 245.290 0.300 20 0 BCADLO CC(=O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000878995837 590672238 /nfs/dbraw/zinc/67/22/38/590672238.db2.gz FDCWAZFSJWNZIP-UHFFFAOYSA-N 1 2 226.276 0.492 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[C@H](O)C1 ZINC000879072617 590691461 /nfs/dbraw/zinc/69/14/61/590691461.db2.gz HHDQEKDXALNJDZ-MGCOHNPYSA-N 1 2 235.287 0.704 20 0 BCADLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCC(C)=O ZINC000879153599 590704718 /nfs/dbraw/zinc/70/47/18/590704718.db2.gz IBKYPWVZAUTTGN-ZYHUDNBSSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCC(C)=O ZINC000879153599 590704720 /nfs/dbraw/zinc/70/47/20/590704720.db2.gz IBKYPWVZAUTTGN-ZYHUDNBSSA-N 1 2 243.303 0.618 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnsn2)[C@@](C)(CO)C1 ZINC000879262427 590724020 /nfs/dbraw/zinc/72/40/20/590724020.db2.gz WLXDMHUVDSFWKL-NXEZZACHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnsn2)[C@@](C)(CO)C1 ZINC000879262427 590724021 /nfs/dbraw/zinc/72/40/21/590724021.db2.gz WLXDMHUVDSFWKL-NXEZZACHSA-N 1 2 243.332 0.510 20 0 BCADLO COC(=O)C[NH2+][C@](C)(CC(=O)OC)C1CC1 ZINC000879439684 590770419 /nfs/dbraw/zinc/77/04/19/590770419.db2.gz RVAFLWXGTVWPEQ-LLVKDONJSA-N 1 2 229.276 0.481 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)[nH]1 ZINC000879563382 590802642 /nfs/dbraw/zinc/80/26/42/590802642.db2.gz SJCQAXLNNYXSBA-YUMQZZPRSA-N 1 2 240.332 0.695 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)[nH]1 ZINC000879563382 590802644 /nfs/dbraw/zinc/80/26/44/590802644.db2.gz SJCQAXLNNYXSBA-YUMQZZPRSA-N 1 2 240.332 0.695 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618425 590832855 /nfs/dbraw/zinc/83/28/55/590832855.db2.gz YKTWJJPGICQTBY-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618425 590832856 /nfs/dbraw/zinc/83/28/56/590832856.db2.gz YKTWJJPGICQTBY-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621221 590834131 /nfs/dbraw/zinc/83/41/31/590834131.db2.gz BDSQBRZGTYSWEA-RKDXNWHRSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621221 590834137 /nfs/dbraw/zinc/83/41/37/590834137.db2.gz BDSQBRZGTYSWEA-RKDXNWHRSA-N 1 2 239.323 0.364 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC000879935361 590892407 /nfs/dbraw/zinc/89/24/07/590892407.db2.gz IJCSUHUPPTUHOS-RKDXNWHRSA-N 1 2 221.297 0.322 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC000879935361 590892408 /nfs/dbraw/zinc/89/24/08/590892408.db2.gz IJCSUHUPPTUHOS-RKDXNWHRSA-N 1 2 221.297 0.322 20 0 BCADLO O=S1(=O)C[C@H]2CC[N@@H+](CCF)C[C@H]2C1 ZINC000879935358 590892843 /nfs/dbraw/zinc/89/28/43/590892843.db2.gz IJCSUHUPPTUHOS-BDAKNGLRSA-N 1 2 221.297 0.322 20 0 BCADLO O=S1(=O)C[C@H]2CC[N@H+](CCF)C[C@H]2C1 ZINC000879935358 590892848 /nfs/dbraw/zinc/89/28/48/590892848.db2.gz IJCSUHUPPTUHOS-BDAKNGLRSA-N 1 2 221.297 0.322 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879968106 590900826 /nfs/dbraw/zinc/90/08/26/590900826.db2.gz IJNIUXRQNFQLFB-SNVBAGLBSA-N 1 2 245.319 0.005 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CC[S@](C)=O ZINC000879981888 590903907 /nfs/dbraw/zinc/90/39/07/590903907.db2.gz WINZZSJNFWMWCS-QFYYESIMSA-N 1 2 247.360 0.686 20 0 BCADLO Cc1ccnc(C[N@H+](C)CCS(N)(=O)=O)c1 ZINC000880084531 590921851 /nfs/dbraw/zinc/92/18/51/590921851.db2.gz LZBDBWIJAMRNQA-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000880084531 590921853 /nfs/dbraw/zinc/92/18/53/590921853.db2.gz LZBDBWIJAMRNQA-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cncc(C[N@H+](C)CCS(N)(=O)=O)c1 ZINC000880085089 590922429 /nfs/dbraw/zinc/92/24/29/590922429.db2.gz YSJZWTAWIUELSY-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cncc(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000880085089 590922433 /nfs/dbraw/zinc/92/24/33/590922433.db2.gz YSJZWTAWIUELSY-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCS(C)(=O)=O ZINC000880130271 590932409 /nfs/dbraw/zinc/93/24/09/590932409.db2.gz NYBSKJDLYHOFCH-WDEREUQCSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCS(C)(=O)=O ZINC000880130271 590932411 /nfs/dbraw/zinc/93/24/11/590932411.db2.gz NYBSKJDLYHOFCH-WDEREUQCSA-N 1 2 246.376 0.200 20 0 BCADLO CC/C=C/CC[NH+](CC(=O)NC)CC(=O)NC ZINC000880152331 590946923 /nfs/dbraw/zinc/94/69/23/590946923.db2.gz BQHQFAKREQGHHU-AATRIKPKSA-N 1 2 241.335 0.137 20 0 BCADLO O=C1C[N@H+](CC2CCCC2)C2(COC2)CN1 ZINC000880161069 590947881 /nfs/dbraw/zinc/94/78/81/590947881.db2.gz CMJZRQHKUYTQPN-UHFFFAOYSA-N 1 2 224.304 0.377 20 0 BCADLO O=C1C[N@@H+](CC2CCCC2)C2(COC2)CN1 ZINC000880161069 590947883 /nfs/dbraw/zinc/94/78/83/590947883.db2.gz CMJZRQHKUYTQPN-UHFFFAOYSA-N 1 2 224.304 0.377 20 0 BCADLO O=C1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C2(COC2)CN1 ZINC000880163659 590948139 /nfs/dbraw/zinc/94/81/39/590948139.db2.gz UYHWSVSPKNLWMK-JGPRNRPPSA-N 1 2 236.315 0.233 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C2(COC2)CN1 ZINC000880163659 590948140 /nfs/dbraw/zinc/94/81/40/590948140.db2.gz UYHWSVSPKNLWMK-JGPRNRPPSA-N 1 2 236.315 0.233 20 0 BCADLO Cn1ncc(C[N@@H+]2CCNC(=O)CC23CCC3)n1 ZINC000880168224 590948990 /nfs/dbraw/zinc/94/89/90/590948990.db2.gz FGXUXQXFCKJBKZ-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO Cn1ncc(C[N@H+]2CCNC(=O)CC23CCC3)n1 ZINC000880168224 590948991 /nfs/dbraw/zinc/94/89/91/590948991.db2.gz FGXUXQXFCKJBKZ-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232581 590963472 /nfs/dbraw/zinc/96/34/72/590963472.db2.gz NXFIYRSYRURSEI-QMMMGPOBSA-N 1 2 213.260 0.392 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232581 590963475 /nfs/dbraw/zinc/96/34/75/590963475.db2.gz NXFIYRSYRURSEI-QMMMGPOBSA-N 1 2 213.260 0.392 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235215 590967012 /nfs/dbraw/zinc/96/70/12/590967012.db2.gz ZHGLSEAYCWBCDV-VIFPVBQESA-N 1 2 212.272 0.997 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880235215 590967013 /nfs/dbraw/zinc/96/70/13/590967013.db2.gz ZHGLSEAYCWBCDV-VIFPVBQESA-N 1 2 212.272 0.997 20 0 BCADLO CCOCC[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880333366 591006788 /nfs/dbraw/zinc/00/67/88/591006788.db2.gz CQFYHYXQNVGHNN-LLVKDONJSA-N 1 2 245.319 0.581 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880340832 591008329 /nfs/dbraw/zinc/00/83/29/591008329.db2.gz MCTBDKGADCETAT-WDEREUQCSA-N 1 2 245.319 0.315 20 0 BCADLO c1[nH]nnc1CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880367581 591012795 /nfs/dbraw/zinc/01/27/95/591012795.db2.gz IULMHYWPSDAWGQ-UHFFFAOYSA-N 1 2 244.302 0.806 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)OCc1ccccc1 ZINC000880417199 591025889 /nfs/dbraw/zinc/02/58/89/591025889.db2.gz IPAYOXWRNXKVCE-JSGCOSHPSA-N 1 2 247.294 0.796 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)OCc1ccccc1 ZINC000880417199 591025895 /nfs/dbraw/zinc/02/58/95/591025895.db2.gz IPAYOXWRNXKVCE-JSGCOSHPSA-N 1 2 247.294 0.796 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nccn1CC(F)F)C2 ZINC000880420562 591029432 /nfs/dbraw/zinc/02/94/32/591029432.db2.gz JKZCMYWULWFDKG-LDYMZIIASA-N 1 2 243.257 0.715 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nccn1CC(F)F)C2 ZINC000880420562 591029438 /nfs/dbraw/zinc/02/94/38/591029438.db2.gz JKZCMYWULWFDKG-LDYMZIIASA-N 1 2 243.257 0.715 20 0 BCADLO O[C@@]12C[C@@H]1CN(Cc1[nH+]ccn1CC(F)F)C2 ZINC000880420562 591029442 /nfs/dbraw/zinc/02/94/42/591029442.db2.gz JKZCMYWULWFDKG-LDYMZIIASA-N 1 2 243.257 0.715 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cnsn1 ZINC000880435601 591037320 /nfs/dbraw/zinc/03/73/20/591037320.db2.gz NIPKJCXMIQAVDD-NXEZZACHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1cnsn1 ZINC000880435601 591037324 /nfs/dbraw/zinc/03/73/24/591037324.db2.gz NIPKJCXMIQAVDD-NXEZZACHSA-N 1 2 243.332 0.774 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000880470609 591051996 /nfs/dbraw/zinc/05/19/96/591051996.db2.gz PHUAHNJUACDLNT-IUCAKERBSA-N 1 2 240.307 0.805 20 0 BCADLO CCCc1noc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880483555 591056466 /nfs/dbraw/zinc/05/64/66/591056466.db2.gz HUCHTFPDSPDVLQ-VIFPVBQESA-N 1 2 223.276 0.755 20 0 BCADLO CCCc1noc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880483555 591056472 /nfs/dbraw/zinc/05/64/72/591056472.db2.gz HUCHTFPDSPDVLQ-VIFPVBQESA-N 1 2 223.276 0.755 20 0 BCADLO COc1ccc(C[N@@H+]2CC=C[C@H]2CO)nn1 ZINC000880490504 591066418 /nfs/dbraw/zinc/06/64/18/591066418.db2.gz ARDDHWCMYHVYTE-JTQLQIEISA-N 1 2 221.260 0.218 20 0 BCADLO COc1ccc(C[N@H+]2CC=C[C@H]2CO)nn1 ZINC000880490504 591066422 /nfs/dbraw/zinc/06/64/22/591066422.db2.gz ARDDHWCMYHVYTE-JTQLQIEISA-N 1 2 221.260 0.218 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000880491967 591068372 /nfs/dbraw/zinc/06/83/72/591068372.db2.gz MQUCZELBSCPEHR-SNVBAGLBSA-N 1 2 234.303 0.347 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1nnc2n1CCCC2 ZINC000880491967 591068377 /nfs/dbraw/zinc/06/83/77/591068377.db2.gz MQUCZELBSCPEHR-SNVBAGLBSA-N 1 2 234.303 0.347 20 0 BCADLO O=C(C[N@H+]1CC=C[C@H]1CO)Nc1ccccn1 ZINC000880494008 591070508 /nfs/dbraw/zinc/07/05/08/591070508.db2.gz IFIKCLPOLBFIBJ-JTQLQIEISA-N 1 2 233.271 0.253 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@H]1CO)Nc1ccccn1 ZINC000880494008 591070513 /nfs/dbraw/zinc/07/05/13/591070513.db2.gz IFIKCLPOLBFIBJ-JTQLQIEISA-N 1 2 233.271 0.253 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC=C[C@@H]2CO)nn1 ZINC000880493340 591070699 /nfs/dbraw/zinc/07/06/99/591070699.db2.gz ATLUHIQGMYEAHF-LLVKDONJSA-N 1 2 236.319 0.766 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC=C[C@@H]2CO)nn1 ZINC000880493340 591070702 /nfs/dbraw/zinc/07/07/02/591070702.db2.gz ATLUHIQGMYEAHF-LLVKDONJSA-N 1 2 236.319 0.766 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000880494342 591072947 /nfs/dbraw/zinc/07/29/47/591072947.db2.gz NFFBBFKRYJOTAD-SNVBAGLBSA-N 1 2 235.287 0.755 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000880494342 591072950 /nfs/dbraw/zinc/07/29/50/591072950.db2.gz NFFBBFKRYJOTAD-SNVBAGLBSA-N 1 2 235.287 0.755 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880495067 591072988 /nfs/dbraw/zinc/07/29/88/591072988.db2.gz ZDKUGTMVJMNDCG-LLVKDONJSA-N 1 2 247.298 0.561 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880495067 591072991 /nfs/dbraw/zinc/07/29/91/591072991.db2.gz ZDKUGTMVJMNDCG-LLVKDONJSA-N 1 2 247.298 0.561 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000880494341 591073551 /nfs/dbraw/zinc/07/35/51/591073551.db2.gz NFFBBFKRYJOTAD-JTQLQIEISA-N 1 2 235.287 0.755 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000880494341 591073555 /nfs/dbraw/zinc/07/35/55/591073555.db2.gz NFFBBFKRYJOTAD-JTQLQIEISA-N 1 2 235.287 0.755 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCc3ncncc3C2)n1 ZINC000880594034 591105709 /nfs/dbraw/zinc/10/57/09/591105709.db2.gz CDDUEZKQXMIFKU-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO c1c[nH]c(C[N@H+]2CCc3ncncc3C2)n1 ZINC000880594034 591105710 /nfs/dbraw/zinc/10/57/10/591105710.db2.gz CDDUEZKQXMIFKU-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000888832859 591127278 /nfs/dbraw/zinc/12/72/78/591127278.db2.gz QBXMNRJBIXWKQJ-AXFHLTTASA-N 1 2 246.314 0.859 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000880731891 591131810 /nfs/dbraw/zinc/13/18/10/591131810.db2.gz SFZQPRGNAPTTLL-QMMMGPOBSA-N 1 2 237.328 0.677 20 0 BCADLO CC(=O)c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881366034 591196342 /nfs/dbraw/zinc/19/63/42/591196342.db2.gz SWVQPWCNMASFHR-UHFFFAOYSA-N 1 2 245.286 0.990 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C=CCC1 ZINC000881496184 591218915 /nfs/dbraw/zinc/21/89/15/591218915.db2.gz TXFUJNDGNLANDB-NEPJUHHUSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C=CCC1 ZINC000881496184 591218918 /nfs/dbraw/zinc/21/89/18/591218918.db2.gz TXFUJNDGNLANDB-NEPJUHHUSA-N 1 2 238.331 0.790 20 0 BCADLO C=C/C=C/CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000881569030 591243276 /nfs/dbraw/zinc/24/32/76/591243276.db2.gz ZYCCYXZRABHDKC-FYJFLYSWSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C=C/CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000881569030 591243278 /nfs/dbraw/zinc/24/32/78/591243278.db2.gz ZYCCYXZRABHDKC-FYJFLYSWSA-N 1 2 238.331 0.956 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC(F)CC1 ZINC000881610990 591256694 /nfs/dbraw/zinc/25/66/94/591256694.db2.gz DWLPYHRJRUWXNH-UHFFFAOYSA-N 1 2 225.267 0.923 20 0 BCADLO CCN(CC)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000881846926 591274610 /nfs/dbraw/zinc/27/46/10/591274610.db2.gz RYENEXGALDPZRQ-UHFFFAOYSA-N 1 2 237.303 0.854 20 0 BCADLO Cc1[nH+]cnc(N[C@@H]2CC(=O)N(C)C2)c1C ZINC000881895982 591277281 /nfs/dbraw/zinc/27/72/81/591277281.db2.gz MGBMMADZSTUJNH-SECBINFHSA-N 1 2 220.276 0.736 20 0 BCADLO Cc1[nH+]cnc(NCCN2C(=O)CCC2=O)c1C ZINC000881982803 591285712 /nfs/dbraw/zinc/28/57/12/591285712.db2.gz JRDBHTBZIZTSEZ-UHFFFAOYSA-N 1 2 248.286 0.654 20 0 BCADLO Cc1[nH+]cnc(N[C@@H](C)CC(N)=O)c1C ZINC000882013917 591288179 /nfs/dbraw/zinc/28/81/79/591288179.db2.gz ZLPPLSACNSIACE-LURJTMIESA-N 1 2 208.265 0.769 20 0 BCADLO Cn1cc([C@H](O)CNc2cc(CO)cc[nH+]2)cn1 ZINC000882018986 591288280 /nfs/dbraw/zinc/28/82/80/591288280.db2.gz JIPBZCZNGKJTPQ-LLVKDONJSA-N 1 2 248.286 0.453 20 0 BCADLO COC[C@@H](O)CCNc1nc[nH+]c(C)c1C ZINC000882144547 591305338 /nfs/dbraw/zinc/30/53/38/591305338.db2.gz HGFKZRXZBXIEHG-JTQLQIEISA-N 1 2 225.292 0.903 20 0 BCADLO Cc1[nH+]cnc(N2C[C@H]3C[C@@]3(CO)C2)c1C ZINC000882235284 591319121 /nfs/dbraw/zinc/31/91/21/591319121.db2.gz LHZJODLBTOBKHA-PWSUYJOCSA-N 1 2 219.288 0.912 20 0 BCADLO CN(C)c1cc(CN2C(=O)COC2=O)cc[nH+]1 ZINC000882275740 591324494 /nfs/dbraw/zinc/32/44/94/591324494.db2.gz QYQICBRIXMZQQC-UHFFFAOYSA-N 1 2 235.243 0.626 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@]3(CNC(=O)C3)C2)c1C ZINC000882279759 591325736 /nfs/dbraw/zinc/32/57/36/591325736.db2.gz VZCHLOIOUSKVBL-ZDUSSCGKSA-N 1 2 246.314 0.810 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@H](CC(N)=O)C2)c1C ZINC000882379300 591340059 /nfs/dbraw/zinc/34/00/59/591340059.db2.gz VTJZWRBITATVON-JTQLQIEISA-N 1 2 234.303 0.795 20 0 BCADLO Cn1c[nH+]c(CCNc2ncc(C=O)cn2)c1 ZINC000882440157 591350170 /nfs/dbraw/zinc/35/01/70/591350170.db2.gz YSSZDHFXESIDJK-UHFFFAOYSA-N 1 2 231.259 0.677 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@H](O)[C@@H](CO)C2)c1C ZINC000882466590 591352607 /nfs/dbraw/zinc/35/26/07/591352607.db2.gz BPAMEKROAZQBAZ-MNOVXSKESA-N 1 2 237.303 0.273 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483927 591358767 /nfs/dbraw/zinc/35/87/67/591358767.db2.gz NXQBYWRXBWMMLO-VIFPVBQESA-N 1 2 248.330 0.722 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483927 591358770 /nfs/dbraw/zinc/35/87/70/591358770.db2.gz NXQBYWRXBWMMLO-VIFPVBQESA-N 1 2 248.330 0.722 20 0 BCADLO CO[C@@](C)(CO)CNc1nc[nH+]c(C)c1C ZINC000882543821 591389584 /nfs/dbraw/zinc/38/95/84/591389584.db2.gz IUNNMBDEUACNBR-LLVKDONJSA-N 1 2 225.292 0.903 20 0 BCADLO Cc1[nH+]cnc(N(C)C[C@@H]2COCCO2)c1C ZINC000882616766 591400695 /nfs/dbraw/zinc/40/06/95/591400695.db2.gz LEAQPEHYQHSLOY-LLVKDONJSA-N 1 2 237.303 0.945 20 0 BCADLO CC(=O)N1C[C@H]2CN(c3cc(C)[nH+]cn3)C[C@H]2C1 ZINC000882849664 591453973 /nfs/dbraw/zinc/45/39/73/591453973.db2.gz OZRJQFCECHATNF-TXEJJXNPSA-N 1 2 246.314 0.700 20 0 BCADLO C[C@H](O)c1ccc(N2CCC[C@H](C(N)=O)C2)[nH+]c1 ZINC000213219956 591455970 /nfs/dbraw/zinc/45/59/70/591455970.db2.gz HWVITHYRQSCWTE-ONGXEEELSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@H](O)c1ccc(N2CCN(C)C(=O)C2)[nH+]c1 ZINC000213293758 591459847 /nfs/dbraw/zinc/45/98/47/591459847.db2.gz WEIHFBOFZZLTAO-VIFPVBQESA-N 1 2 235.287 0.413 20 0 BCADLO CCc1nc(CO[NH+]=C(N)CO)cs1 ZINC000883010134 591511059 /nfs/dbraw/zinc/51/10/59/591511059.db2.gz GBRGSTDNVYOTJI-UHFFFAOYSA-N 1 2 215.278 0.696 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCN1CCOC1=O ZINC000882960334 591485064 /nfs/dbraw/zinc/48/50/64/591485064.db2.gz HAZQASBDARZFQM-UHFFFAOYSA-N 1 2 245.279 0.362 20 0 BCADLO NC(CCO)=[NH+]OCc1cnc(C2CC2)o1 ZINC000882987641 591494581 /nfs/dbraw/zinc/49/45/81/591494581.db2.gz LEOMKJMDKTVYQM-UHFFFAOYSA-N 1 2 225.248 0.933 20 0 BCADLO C[C@@H]1CCC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000130688745 591500552 /nfs/dbraw/zinc/50/05/52/591500552.db2.gz DDPZEVLWWDXMOH-SNVBAGLBSA-N 1 2 247.302 0.580 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000130688745 591500553 /nfs/dbraw/zinc/50/05/53/591500553.db2.gz DDPZEVLWWDXMOH-SNVBAGLBSA-N 1 2 247.302 0.580 20 0 BCADLO COCc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883012959 591505778 /nfs/dbraw/zinc/50/57/78/591505778.db2.gz ZZRAANYAIOCKLV-UHFFFAOYSA-N 1 2 224.260 0.824 20 0 BCADLO Cn1c[nH+]cc1Cn1cc2c(n1)CC[C@@H](O)C2 ZINC000883007121 591507905 /nfs/dbraw/zinc/50/79/05/591507905.db2.gz MKZPGDXMRTVPDU-LLVKDONJSA-N 1 2 232.287 0.515 20 0 BCADLO Cc1cccc(NC(=O)CO[NH+]=C(N)CO)c1 ZINC000883009388 591509530 /nfs/dbraw/zinc/50/95/30/591509530.db2.gz GOTCEJCGZNNTHE-UHFFFAOYSA-N 1 2 237.259 0.424 20 0 BCADLO Cc1ccc(OCCO[NH+]=C(N)CO)cc1 ZINC000883009911 591510365 /nfs/dbraw/zinc/51/03/65/591510365.db2.gz XYDGIEXPGTXPGQ-UHFFFAOYSA-N 1 2 224.260 0.865 20 0 BCADLO NC(CO)=[NH+]OCc1noc2c1CCCC2 ZINC000883011115 591511082 /nfs/dbraw/zinc/51/10/82/591511082.db2.gz KJRCKJLHJFOAMC-UHFFFAOYSA-N 1 2 225.248 0.544 20 0 BCADLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)CO ZINC000883009913 591511130 /nfs/dbraw/zinc/51/11/30/591511130.db2.gz YETJAYGOKSKSRD-DTORHVGOSA-N 1 2 243.307 0.267 20 0 BCADLO CCCCCNC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011388 591511169 /nfs/dbraw/zinc/51/11/69/591511169.db2.gz TUFJCZJRUFAJHD-QMMMGPOBSA-N 1 2 231.296 0.172 20 0 BCADLO NC(CO)=[NH+]OCCOc1ccccc1F ZINC000883009931 591511242 /nfs/dbraw/zinc/51/12/42/591511242.db2.gz YVBAWJVYXMEGKH-UHFFFAOYSA-N 1 2 228.223 0.695 20 0 BCADLO NC(CO)=[NH+]OCCCOc1ccccc1 ZINC000883010292 591511266 /nfs/dbraw/zinc/51/12/66/591511266.db2.gz KFAVEJUCHFBMGU-UHFFFAOYSA-N 1 2 224.260 0.946 20 0 BCADLO CC(C)N(C(=O)[C@@H](C)O[NH+]=C(N)CO)C(C)C ZINC000883010639 591511274 /nfs/dbraw/zinc/51/12/74/591511274.db2.gz WAAVJKONMDCKPY-SECBINFHSA-N 1 2 245.323 0.511 20 0 BCADLO CC(C)(C)OCCCO[NH+]=C(N)CO ZINC000883011701 591511395 /nfs/dbraw/zinc/51/13/95/591511395.db2.gz GIQUWECPXTZRHU-UHFFFAOYSA-N 1 2 204.270 0.682 20 0 BCADLO CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)CO ZINC000883011052 591511694 /nfs/dbraw/zinc/51/16/94/591511694.db2.gz IWTAGBCGCLMJNX-SECBINFHSA-N 1 2 245.323 0.370 20 0 BCADLO COc1ccncc1CO[NH+]=C(N)CO ZINC000883012288 591512405 /nfs/dbraw/zinc/51/24/05/591512405.db2.gz ARHTVIFSNJVLER-UHFFFAOYSA-N 1 2 211.221 0.081 20 0 BCADLO COCCSCCCO[NH+]=C(N)CO ZINC000883012605 591512820 /nfs/dbraw/zinc/51/28/20/591512820.db2.gz LRFXHOMNIMIJQY-UHFFFAOYSA-N 1 2 222.310 0.247 20 0 BCADLO NC(CO)=[NH+]OCc1cccc2c1CCOC2 ZINC000883013402 591514014 /nfs/dbraw/zinc/51/40/14/591514014.db2.gz NMCBOPRCMWUINI-UHFFFAOYSA-N 1 2 236.271 0.750 20 0 BCADLO Cc1nc(N2CCc3ncncc3C2)nc(N)[nH+]1 ZINC000883017407 591515415 /nfs/dbraw/zinc/51/54/15/591515415.db2.gz JZRFNFSVRUMHLU-UHFFFAOYSA-N 1 2 243.274 0.115 20 0 BCADLO Cc1nc(N)nc(N2CCc3ncncc3C2)[nH+]1 ZINC000883017407 591515419 /nfs/dbraw/zinc/51/54/19/591515419.db2.gz JZRFNFSVRUMHLU-UHFFFAOYSA-N 1 2 243.274 0.115 20 0 BCADLO Cc1cc(N2CCC[C@@H]3CCNC(=O)[C@H]32)nc[nH+]1 ZINC000883022271 591518261 /nfs/dbraw/zinc/51/82/61/591518261.db2.gz RCIKMQHTXDJNCU-PWSUYJOCSA-N 1 2 246.314 0.890 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC000883067141 591533659 /nfs/dbraw/zinc/53/36/59/591533659.db2.gz WKFAQFGHAISVQP-AOOOYVTPSA-N 1 2 233.271 0.358 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC000883067085 591534102 /nfs/dbraw/zinc/53/41/02/591534102.db2.gz TYYDBPNQYRLCLX-DTORHVGOSA-N 1 2 231.255 0.559 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2ccncc2N)n1 ZINC000883149696 591553365 /nfs/dbraw/zinc/55/33/65/591553365.db2.gz HZXQDEOEDGJNJF-UHFFFAOYSA-N 1 2 246.318 0.873 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)ns1 ZINC000883152717 591554728 /nfs/dbraw/zinc/55/47/28/591554728.db2.gz FKGRSOZONJCPOZ-QMMMGPOBSA-N 1 2 240.332 0.671 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)ns1 ZINC000883152717 591554731 /nfs/dbraw/zinc/55/47/31/591554731.db2.gz FKGRSOZONJCPOZ-QMMMGPOBSA-N 1 2 240.332 0.671 20 0 BCADLO COC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCOC1 ZINC000883187814 591566088 /nfs/dbraw/zinc/56/60/88/591566088.db2.gz WZMNWTDGPBGMJM-PWSUYJOCSA-N 1 2 239.319 0.941 20 0 BCADLO CCC[N@H+](C)Cn1nc2cnccn2c1=O ZINC000131875204 591672430 /nfs/dbraw/zinc/67/24/30/591672430.db2.gz UFUFAUFTOUTXBZ-UHFFFAOYSA-N 1 2 221.264 0.190 20 0 BCADLO CCC[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000131875204 591672435 /nfs/dbraw/zinc/67/24/35/591672435.db2.gz UFUFAUFTOUTXBZ-UHFFFAOYSA-N 1 2 221.264 0.190 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCOC[C@@H]1C ZINC000214603036 591675574 /nfs/dbraw/zinc/67/55/74/591675574.db2.gz FWVPBDMOIGERDW-FWAPLPHYSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC[C@@H]1C ZINC000214603036 591675571 /nfs/dbraw/zinc/67/55/71/591675571.db2.gz FWVPBDMOIGERDW-FWAPLPHYSA-N 1 2 213.277 0.826 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000889331730 591769408 /nfs/dbraw/zinc/76/94/08/591769408.db2.gz QEECFOUVDJGPDA-UWVGGRQHSA-N 1 2 223.276 0.519 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC3(CCCC3)C2)c1=O ZINC000133297911 591784274 /nfs/dbraw/zinc/78/42/74/591784274.db2.gz OQUPBADNKHBFHT-UHFFFAOYSA-N 1 2 236.319 0.805 20 0 BCADLO Cn1cnn(C[N@H+]2CCC3(CCCC3)C2)c1=O ZINC000133297911 591784276 /nfs/dbraw/zinc/78/42/76/591784276.db2.gz OQUPBADNKHBFHT-UHFFFAOYSA-N 1 2 236.319 0.805 20 0 BCADLO CC(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800086917 591819780 /nfs/dbraw/zinc/81/97/80/591819780.db2.gz PNLHDATUBPVKOJ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800086917 591819782 /nfs/dbraw/zinc/81/97/82/591819782.db2.gz PNLHDATUBPVKOJ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO C[C@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096902 591822593 /nfs/dbraw/zinc/82/25/93/591822593.db2.gz IWYNGPYRXHGBAV-HBNTYKKESA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096902 591822596 /nfs/dbraw/zinc/82/25/96/591822596.db2.gz IWYNGPYRXHGBAV-HBNTYKKESA-N 1 2 227.304 0.906 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccc[nH]2)CCO1 ZINC000800123542 591825637 /nfs/dbraw/zinc/82/56/37/591825637.db2.gz LTSRCKWMHHMNTA-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)c2ccc[nH]2)CCO1 ZINC000800123542 591825634 /nfs/dbraw/zinc/82/56/34/591825634.db2.gz LTSRCKWMHHMNTA-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO COCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800140863 591827246 /nfs/dbraw/zinc/82/72/46/591827246.db2.gz XEKIGPICTHTNLL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO COCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800140863 591827247 /nfs/dbraw/zinc/82/72/47/591827247.db2.gz XEKIGPICTHTNLL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H](O)C2CC2)CCO1 ZINC000800163837 591830603 /nfs/dbraw/zinc/83/06/03/591830603.db2.gz AUCIOXDOUVHHDJ-ONGXEEELSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H](O)C2CC2)CCO1 ZINC000800163837 591830604 /nfs/dbraw/zinc/83/06/04/591830604.db2.gz AUCIOXDOUVHHDJ-ONGXEEELSA-N 1 2 243.303 0.021 20 0 BCADLO COC(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800164029 591830688 /nfs/dbraw/zinc/83/06/88/591830688.db2.gz DYHQIPJTUKYKAO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COC(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800164029 591830689 /nfs/dbraw/zinc/83/06/89/591830689.db2.gz DYHQIPJTUKYKAO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C(C)(C)F)CCO1 ZINC000800192572 591835972 /nfs/dbraw/zinc/83/59/72/591835972.db2.gz DJWIAJVWLYATPX-VIFPVBQESA-N 1 2 233.283 0.998 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C(C)(C)F)CCO1 ZINC000800192572 591835976 /nfs/dbraw/zinc/83/59/76/591835976.db2.gz DJWIAJVWLYATPX-VIFPVBQESA-N 1 2 233.283 0.998 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H](OC)C2)nn1 ZINC000884109636 591852841 /nfs/dbraw/zinc/85/28/41/591852841.db2.gz MDMPAVNECWFYCO-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H](OC)C2)nn1 ZINC000884109636 591852845 /nfs/dbraw/zinc/85/28/45/591852845.db2.gz MDMPAVNECWFYCO-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCOC(C)C ZINC000134417197 591926893 /nfs/dbraw/zinc/92/68/93/591926893.db2.gz LULPKWJEUXDLTA-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCOC(C)C ZINC000134417197 591926897 /nfs/dbraw/zinc/92/68/97/591926897.db2.gz LULPKWJEUXDLTA-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CCc1nc(N[C@H](CO)COC)cc[nH+]1 ZINC000884493691 591955852 /nfs/dbraw/zinc/95/58/52/591955852.db2.gz ANPBEXKBVXCVBW-MRVPVSSYSA-N 1 2 211.265 0.458 20 0 BCADLO CCc1nc(N2CC[C@@](F)(CO)C2)cc[nH+]1 ZINC000884500206 591958408 /nfs/dbraw/zinc/95/84/08/591958408.db2.gz ZMFMXKQRIOHBOL-NSHDSACASA-N 1 2 225.267 0.950 20 0 BCADLO CCc1nc(N(CCO)C[C@H](C)O)cc[nH+]1 ZINC000884510920 591960955 /nfs/dbraw/zinc/96/09/55/591960955.db2.gz UAGUKCYFPDJSIA-VIFPVBQESA-N 1 2 225.292 0.219 20 0 BCADLO CCc1nc(N2CC(O)(COC)C2)cc[nH+]1 ZINC000884520412 591964655 /nfs/dbraw/zinc/96/46/55/591964655.db2.gz VHKRDUHKTNKCER-UHFFFAOYSA-N 1 2 223.276 0.237 20 0 BCADLO CCc1nc(NC[C@H](F)C(=O)OC)cc[nH+]1 ZINC000884528588 591967382 /nfs/dbraw/zinc/96/73/82/591967382.db2.gz UFAPBBZZVFJOGL-ZETCQYMHSA-N 1 2 227.239 0.962 20 0 BCADLO CCc1nc(N2CC[C@@H](C(=O)N(C)C)C2)cc[nH+]1 ZINC000884530022 591968875 /nfs/dbraw/zinc/96/88/75/591968875.db2.gz BGPZARYJQIVFIA-SNVBAGLBSA-N 1 2 248.330 0.954 20 0 BCADLO CCc1nc(N2CC[C@H](C(=O)N(C)C)C2)cc[nH+]1 ZINC000884530021 591968899 /nfs/dbraw/zinc/96/88/99/591968899.db2.gz BGPZARYJQIVFIA-JTQLQIEISA-N 1 2 248.330 0.954 20 0 BCADLO CCc1nc(N2CC[C@@H](O)[C@@H](CO)C2)cc[nH+]1 ZINC000884532563 591969476 /nfs/dbraw/zinc/96/94/76/591969476.db2.gz MDPNLCMULBLYDD-NXEZZACHSA-N 1 2 237.303 0.219 20 0 BCADLO CCc1nc(N[C@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000884537428 591971241 /nfs/dbraw/zinc/97/12/41/591971241.db2.gz ZZGKREIDYVRWTL-QMMMGPOBSA-N 1 2 248.286 0.598 20 0 BCADLO CCc1nc(N2C[C@@H](CO)[C@H](CO)C2)cc[nH+]1 ZINC000884563699 591981382 /nfs/dbraw/zinc/98/13/82/591981382.db2.gz LXUOJHAWWYAXKB-UWVGGRQHSA-N 1 2 237.303 0.076 20 0 BCADLO c1nc(N2CCOCC2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884588360 591988553 /nfs/dbraw/zinc/98/85/53/591988553.db2.gz GGDFFQPEQOYDJQ-PHIMTYICSA-N 1 2 246.314 0.769 20 0 BCADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000884588360 591988554 /nfs/dbraw/zinc/98/85/54/591988554.db2.gz GGDFFQPEQOYDJQ-PHIMTYICSA-N 1 2 246.314 0.769 20 0 BCADLO Cc1nc(N2CCCn3nncc3C2)cc[nH+]1 ZINC000884628661 591997230 /nfs/dbraw/zinc/99/72/30/591997230.db2.gz HJIIPRDIPRBFDB-UHFFFAOYSA-N 1 2 230.275 0.787 20 0 BCADLO O=C(COC1CC1)OCCn1cc[nH+]c1 ZINC000884657843 592004928 /nfs/dbraw/zinc/00/49/28/592004928.db2.gz NEWRDHRRLOTKTN-UHFFFAOYSA-N 1 2 210.233 0.605 20 0 BCADLO COC(=O)N[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000884770434 592016997 /nfs/dbraw/zinc/01/69/97/592016997.db2.gz JDMJKDAOFKPRRE-VIFPVBQESA-N 1 2 236.275 0.720 20 0 BCADLO CC[C@]1(C)C[N@H+](CCS(=O)(=O)CC)CCO1 ZINC000135646613 592030761 /nfs/dbraw/zinc/03/07/61/592030761.db2.gz OFFCJTINBRRUES-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@]1(C)C[N@@H+](CCS(=O)(=O)CC)CCO1 ZINC000135646613 592030765 /nfs/dbraw/zinc/03/07/65/592030765.db2.gz OFFCJTINBRRUES-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000885044133 592035459 /nfs/dbraw/zinc/03/54/59/592035459.db2.gz MODYAJQYOSFWQX-SECBINFHSA-N 1 2 221.260 0.463 20 0 BCADLO COCCOC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000885065951 592044143 /nfs/dbraw/zinc/04/41/43/592044143.db2.gz ISZOZXFXMBESRU-UWVGGRQHSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000885065951 592044146 /nfs/dbraw/zinc/04/41/46/592044146.db2.gz ISZOZXFXMBESRU-UWVGGRQHSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000885309050 592064575 /nfs/dbraw/zinc/06/45/75/592064575.db2.gz AWDKDPNRTPYNFA-QMMMGPOBSA-N 1 2 227.264 0.854 20 0 BCADLO CCO[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000885336638 592069201 /nfs/dbraw/zinc/06/92/01/592069201.db2.gz QOECVLQAIQMZJD-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO Cc1[nH]c(C(=O)NCCO[C@H]2CCOC2)c[nH+]1 ZINC000885732882 592096822 /nfs/dbraw/zinc/09/68/22/592096822.db2.gz BJOGEHIMJQYXRN-VIFPVBQESA-N 1 2 239.275 0.253 20 0 BCADLO CC1CC[NH+](CC(=O)NC2=NCCS2)CC1 ZINC000136130009 592098193 /nfs/dbraw/zinc/09/81/93/592098193.db2.gz SLEPQBJUNDSGDC-UHFFFAOYSA-N 1 2 241.360 0.937 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885982270 592121337 /nfs/dbraw/zinc/12/13/37/592121337.db2.gz YQRAENONGUWTRE-JLLWLGSASA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885982270 592121338 /nfs/dbraw/zinc/12/13/38/592121338.db2.gz YQRAENONGUWTRE-JLLWLGSASA-N 1 2 238.331 0.764 20 0 BCADLO CCn1ccnc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000218209282 592153184 /nfs/dbraw/zinc/15/31/84/592153184.db2.gz LTTAUAHWWWFJAZ-ZETCQYMHSA-N 1 2 237.225 0.916 20 0 BCADLO O[C@H](CNOC1CCCC1)C[NH+]1CCOCC1 ZINC000137006734 592153646 /nfs/dbraw/zinc/15/36/46/592153646.db2.gz GKBQGHXMVOYCQO-LLVKDONJSA-N 1 2 244.335 0.143 20 0 BCADLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCC1=O ZINC000886144989 592162351 /nfs/dbraw/zinc/16/23/51/592162351.db2.gz MHTJYHCXJGJLAI-OIBJUYFYSA-N 1 2 221.247 0.913 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCC1=O ZINC000886144989 592162353 /nfs/dbraw/zinc/16/23/53/592162353.db2.gz MHTJYHCXJGJLAI-OIBJUYFYSA-N 1 2 221.247 0.913 20 0 BCADLO CCn1ncc(C[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000886168393 592167285 /nfs/dbraw/zinc/16/72/85/592167285.db2.gz PJPXTAAHIMPWJN-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO Cn1c[nH+]c(CNc2n[nH]c3c2COCC3)c1 ZINC000886204749 592175736 /nfs/dbraw/zinc/17/57/36/592175736.db2.gz PDFCGWOOJSTXNY-UHFFFAOYSA-N 1 2 233.275 0.828 20 0 BCADLO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccn[nH]1 ZINC000886229130 592181264 /nfs/dbraw/zinc/18/12/64/592181264.db2.gz LOKVMZIFUCYPAN-GHMZBOCLSA-N 1 2 225.292 0.429 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCc1cncc(O)c1 ZINC000886276328 592196209 /nfs/dbraw/zinc/19/62/09/592196209.db2.gz FCRICPQMRINOSM-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCc1cncc(O)c1 ZINC000886276328 592196210 /nfs/dbraw/zinc/19/62/10/592196210.db2.gz FCRICPQMRINOSM-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@](C)(O)C(F)F)nn1 ZINC000886280268 592198268 /nfs/dbraw/zinc/19/82/68/592198268.db2.gz AZAOJZUNYMLVQH-VIFPVBQESA-N 1 2 234.250 0.263 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@](C)(O)C(F)F)nn1 ZINC000886280268 592198271 /nfs/dbraw/zinc/19/82/71/592198271.db2.gz AZAOJZUNYMLVQH-VIFPVBQESA-N 1 2 234.250 0.263 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@@](C)(O)C(F)F)nn1 ZINC000886280267 592198456 /nfs/dbraw/zinc/19/84/56/592198456.db2.gz AZAOJZUNYMLVQH-SECBINFHSA-N 1 2 234.250 0.263 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@@](C)(O)C(F)F)nn1 ZINC000886280267 592198457 /nfs/dbraw/zinc/19/84/57/592198457.db2.gz AZAOJZUNYMLVQH-SECBINFHSA-N 1 2 234.250 0.263 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000886319386 592207662 /nfs/dbraw/zinc/20/76/62/592207662.db2.gz CAUQTVUQGDOEJV-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000886319386 592207663 /nfs/dbraw/zinc/20/76/63/592207663.db2.gz CAUQTVUQGDOEJV-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000886319386 592207664 /nfs/dbraw/zinc/20/76/64/592207664.db2.gz CAUQTVUQGDOEJV-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000886319386 592207665 /nfs/dbraw/zinc/20/76/65/592207665.db2.gz CAUQTVUQGDOEJV-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326617 592208734 /nfs/dbraw/zinc/20/87/34/592208734.db2.gz OOFYMEQIPQGZFZ-OCAPTIKFSA-N 1 2 205.265 0.460 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326617 592208735 /nfs/dbraw/zinc/20/87/35/592208735.db2.gz OOFYMEQIPQGZFZ-OCAPTIKFSA-N 1 2 205.265 0.460 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CCO[C@H]2C)n1 ZINC000886326603 592209107 /nfs/dbraw/zinc/20/91/07/592209107.db2.gz OICRRRGEUAHYGD-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CCO[C@H]2C)[nH]1 ZINC000886326603 592209108 /nfs/dbraw/zinc/20/91/08/592209108.db2.gz OICRRRGEUAHYGD-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CO[C@H](C)C2)n1 ZINC000886325402 592209134 /nfs/dbraw/zinc/20/91/34/592209134.db2.gz DTTIWWPAUUSTQC-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CO[C@H](C)C2)[nH]1 ZINC000886325402 592209135 /nfs/dbraw/zinc/20/91/35/592209135.db2.gz DTTIWWPAUUSTQC-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886346913 592213488 /nfs/dbraw/zinc/21/34/88/592213488.db2.gz UUFLEHQUTJMNIF-OCAPTIKFSA-N 1 2 209.249 0.668 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886346913 592213489 /nfs/dbraw/zinc/21/34/89/592213489.db2.gz UUFLEHQUTJMNIF-OCAPTIKFSA-N 1 2 209.249 0.668 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1cscn1 ZINC000219458500 592225466 /nfs/dbraw/zinc/22/54/66/592225466.db2.gz CLODBTYTXRUZGU-UHFFFAOYSA-N 1 2 234.346 0.667 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCCn2nncc2C1 ZINC000886455146 592227000 /nfs/dbraw/zinc/22/70/00/592227000.db2.gz BYPBJCPCTLPRSY-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO Cn1ccnc1C[N@H+]1CCCn2nncc2C1 ZINC000886455146 592227001 /nfs/dbraw/zinc/22/70/01/592227001.db2.gz BYPBJCPCTLPRSY-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886506444 592238996 /nfs/dbraw/zinc/23/89/96/592238996.db2.gz SSCOYOUDPMXSJS-NBEYISGCSA-N 1 2 227.264 0.131 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886506444 592239000 /nfs/dbraw/zinc/23/90/00/592239000.db2.gz SSCOYOUDPMXSJS-NBEYISGCSA-N 1 2 227.264 0.131 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1ncco1 ZINC000886532806 592248643 /nfs/dbraw/zinc/24/86/43/592248643.db2.gz PEYVMFAJTXWLBK-MRVPVSSYSA-N 1 2 232.305 0.760 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ncco1 ZINC000886536529 592250425 /nfs/dbraw/zinc/25/04/25/592250425.db2.gz JVXYZYWCKWTUJC-ZCFIWIBFSA-N 1 2 233.218 0.707 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)C1(O)CCC1)C2 ZINC000886616352 592275984 /nfs/dbraw/zinc/27/59/84/592275984.db2.gz BBGLXCQRUGWONM-UHFFFAOYSA-N 1 2 249.314 0.703 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)CCOC)C2 ZINC000886623181 592279786 /nfs/dbraw/zinc/27/97/86/592279786.db2.gz WOWNGDZQPUYEAV-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)c1cn[nH]n1)C2 ZINC000886624686 592279948 /nfs/dbraw/zinc/27/99/48/592279948.db2.gz VLOORJFIENYFRF-UHFFFAOYSA-N 1 2 246.274 0.220 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)[nH]1 ZINC000886631764 592282631 /nfs/dbraw/zinc/28/26/31/592282631.db2.gz WFAJLBISURQGRY-LDYMZIIASA-N 1 2 238.291 0.247 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)[nH]1 ZINC000886631764 592282637 /nfs/dbraw/zinc/28/26/37/592282637.db2.gz WFAJLBISURQGRY-LDYMZIIASA-N 1 2 238.291 0.247 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCN1CCNC1=O ZINC000886743303 592314651 /nfs/dbraw/zinc/31/46/51/592314651.db2.gz ZXCOERLWJNNWJH-QMMMGPOBSA-N 1 2 237.307 0.394 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CCCOC2)n1 ZINC000886753258 592315502 /nfs/dbraw/zinc/31/55/02/592315502.db2.gz GCJNJHYKBSZAJR-QMMMGPOBSA-N 1 2 242.348 0.936 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CCCOC2)[nH]1 ZINC000886753258 592315504 /nfs/dbraw/zinc/31/55/04/592315504.db2.gz GCJNJHYKBSZAJR-QMMMGPOBSA-N 1 2 242.348 0.936 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818080 592340525 /nfs/dbraw/zinc/34/05/25/592340525.db2.gz AGZJOTLXLKKWRK-PWSUYJOCSA-N 1 2 236.319 0.848 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818080 592340529 /nfs/dbraw/zinc/34/05/29/592340529.db2.gz AGZJOTLXLKKWRK-PWSUYJOCSA-N 1 2 236.319 0.848 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC000886819119 592343370 /nfs/dbraw/zinc/34/33/70/592343370.db2.gz OICDUOQIPWBOPO-VHSXEESVSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC000886819119 592343374 /nfs/dbraw/zinc/34/33/74/592343374.db2.gz OICDUOQIPWBOPO-VHSXEESVSA-N 1 2 237.307 0.211 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000886852480 592366867 /nfs/dbraw/zinc/36/68/67/592366867.db2.gz LKCCEPXCJYUFDN-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000886852480 592366872 /nfs/dbraw/zinc/36/68/72/592366872.db2.gz LKCCEPXCJYUFDN-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000886850492 592368170 /nfs/dbraw/zinc/36/81/70/592368170.db2.gz HUDXQIARAZLVMN-ZETCQYMHSA-N 1 2 242.304 0.468 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000886850492 592368175 /nfs/dbraw/zinc/36/81/75/592368175.db2.gz HUDXQIARAZLVMN-ZETCQYMHSA-N 1 2 242.304 0.468 20 0 BCADLO CCOC(=O)[C@@]1(F)C[N@H+](CC(N)=O)C[C@@H]1CC ZINC000886872344 592376842 /nfs/dbraw/zinc/37/68/42/592376842.db2.gz QBXFXPAJLHECRI-GZMMTYOYSA-N 1 2 246.282 0.085 20 0 BCADLO CCOC(=O)[C@@]1(F)C[N@@H+](CC(N)=O)C[C@@H]1CC ZINC000886872344 592376847 /nfs/dbraw/zinc/37/68/47/592376847.db2.gz QBXFXPAJLHECRI-GZMMTYOYSA-N 1 2 246.282 0.085 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CC[C@H](C)O ZINC000886941652 592398779 /nfs/dbraw/zinc/39/87/79/592398779.db2.gz IKHAVPMQEFCOPB-AXFHLTTASA-N 1 2 245.319 0.458 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ncnn1CCF ZINC000887033449 592426951 /nfs/dbraw/zinc/42/69/51/592426951.db2.gz OJAUJBJJQKCFIH-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ncnn1CCF ZINC000887033449 592426952 /nfs/dbraw/zinc/42/69/52/592426952.db2.gz OJAUJBJJQKCFIH-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]23C[C@H]2CCC3)C1 ZINC000887037540 592427888 /nfs/dbraw/zinc/42/78/88/592427888.db2.gz SLDAYPPAUACZLV-CKYFFXLPSA-N 1 2 224.304 0.376 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]23C[C@H]2CCC3)C1 ZINC000887037540 592427891 /nfs/dbraw/zinc/42/78/91/592427891.db2.gz SLDAYPPAUACZLV-CKYFFXLPSA-N 1 2 224.304 0.376 20 0 BCADLO OCC[C@@H](NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000887079109 592436130 /nfs/dbraw/zinc/43/61/30/592436130.db2.gz KEQDIYVEIJJDMN-SSDOTTSWSA-N 1 2 223.198 0.813 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nccc(C)n1)C(N)=O ZINC000887057730 592433578 /nfs/dbraw/zinc/43/35/78/592433578.db2.gz VGTIANDHEXZJAK-KWQFWETISA-N 1 2 236.319 0.775 20 0 BCADLO COC(=O)CC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070342 592434596 /nfs/dbraw/zinc/43/45/96/592434596.db2.gz KJIPLMYNCDVDTJ-MRVPVSSYSA-N 1 2 247.316 0.140 20 0 BCADLO COC(=O)CC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070342 592434602 /nfs/dbraw/zinc/43/46/02/592434602.db2.gz KJIPLMYNCDVDTJ-MRVPVSSYSA-N 1 2 247.316 0.140 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCF ZINC000887073833 592435751 /nfs/dbraw/zinc/43/57/51/592435751.db2.gz IQPDDIVBNPPRIJ-QMMMGPOBSA-N 1 2 221.297 0.936 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCF ZINC000887073833 592435755 /nfs/dbraw/zinc/43/57/55/592435755.db2.gz IQPDDIVBNPPRIJ-QMMMGPOBSA-N 1 2 221.297 0.936 20 0 BCADLO OCC[C@@H](NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000887079109 592436127 /nfs/dbraw/zinc/43/61/27/592436127.db2.gz KEQDIYVEIJJDMN-SSDOTTSWSA-N 1 2 223.198 0.813 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@]12C[C@H]1COC21CCC1 ZINC000887125235 592447499 /nfs/dbraw/zinc/44/74/99/592447499.db2.gz MOQPDOYGFOCWGP-GXFFZTMASA-N 1 2 247.298 0.711 20 0 BCADLO CCc1cnc(NC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC000887238432 592470545 /nfs/dbraw/zinc/47/05/45/592470545.db2.gz DTFLISUGYDNVLL-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO CCc1cnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000887238432 592470546 /nfs/dbraw/zinc/47/05/46/592470546.db2.gz DTFLISUGYDNVLL-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO CN1C(=O)C2(CCOCC2)[NH2+]C12CCCC2 ZINC000887335576 592482381 /nfs/dbraw/zinc/48/23/81/592482381.db2.gz IJYGDPVXNIFPHN-UHFFFAOYSA-N 1 2 224.304 0.868 20 0 BCADLO CN1C(=O)C2(CCOCC2)[NH2+][C@H]1C1CC1 ZINC000887336037 592482626 /nfs/dbraw/zinc/48/26/26/592482626.db2.gz SVKFEIYOFJYRRL-SECBINFHSA-N 1 2 210.277 0.333 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887477684 592512461 /nfs/dbraw/zinc/51/24/61/592512461.db2.gz XZWODJWIBBLGGI-RYUDHWBXSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000887477685 592512562 /nfs/dbraw/zinc/51/25/62/592512562.db2.gz XZWODJWIBBLGGI-VXGBXAGGSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@@H]1CCCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000222985190 592513612 /nfs/dbraw/zinc/51/36/12/592513612.db2.gz VKHGXKJKWSDZTF-KTLBGCOUSA-N 1 2 238.331 0.886 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]1CO ZINC000889136779 592584612 /nfs/dbraw/zinc/58/46/12/592584612.db2.gz OMQUCFVVFAZXPM-NXEZZACHSA-N 1 2 235.287 0.039 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1CC(CCO)C1 ZINC000889976064 592665775 /nfs/dbraw/zinc/66/57/75/592665775.db2.gz QLBVCXCEMWVIMW-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2ccco2)c1 ZINC000890110827 592675146 /nfs/dbraw/zinc/67/51/46/592675146.db2.gz WHYSIYYFFJOICT-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO Cc1conc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099989 592679421 /nfs/dbraw/zinc/67/94/21/592679421.db2.gz NFCSLJNWZOURFW-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890100591 592680082 /nfs/dbraw/zinc/68/00/82/592680082.db2.gz YYFKVHCQOOWVBN-WPRPVWTQSA-N 1 2 223.276 0.461 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890104238 592680515 /nfs/dbraw/zinc/68/05/15/592680515.db2.gz WKZHUTBTNXAAMT-KOLCDFICSA-N 1 2 237.303 0.851 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890104237 592680650 /nfs/dbraw/zinc/68/06/50/592680650.db2.gz WKZHUTBTNXAAMT-GXSJLCMTSA-N 1 2 237.303 0.851 20 0 BCADLO CSC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890106723 592680890 /nfs/dbraw/zinc/68/08/90/592680890.db2.gz BVBWZATVEVYPIJ-UHFFFAOYSA-N 1 2 225.317 0.932 20 0 BCADLO Cc1cnccc1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890106944 592682060 /nfs/dbraw/zinc/68/20/60/592682060.db2.gz FDGCYAOOQQDFIT-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2cn(C)c[nH+]2)[nH]1 ZINC000890107433 592682603 /nfs/dbraw/zinc/68/26/03/592682603.db2.gz MRQSUBCBJANSAL-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@]23CCOC3)c1 ZINC000890108177 592682748 /nfs/dbraw/zinc/68/27/48/592682748.db2.gz VEAYYXQCTLEZKI-PWSUYJOCSA-N 1 2 235.287 0.463 20 0 BCADLO CO[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890107967 592682985 /nfs/dbraw/zinc/68/29/85/592682985.db2.gz SOXLSDGFBCCWLZ-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCC=CO2)c1 ZINC000890110280 592683775 /nfs/dbraw/zinc/68/37/75/592683775.db2.gz XWIUVORSRIZHDP-SNVBAGLBSA-N 1 2 221.260 0.729 20 0 BCADLO Cn1cnc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000890114199 592684145 /nfs/dbraw/zinc/68/41/45/592684145.db2.gz YFMNWTVWALEVQC-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO COc1cccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890110820 592684247 /nfs/dbraw/zinc/68/42/47/592684247.db2.gz WEUMADLUQVXBRI-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cn1ccc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890109811 592684310 /nfs/dbraw/zinc/68/43/10/592684310.db2.gz GWSNAYGCGUTMSI-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC2(C)CCC2)c1 ZINC000890110567 592684603 /nfs/dbraw/zinc/68/46/03/592684603.db2.gz QPXBZDHFIBWAEA-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO CO[C@@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109779 592684774 /nfs/dbraw/zinc/68/47/74/592684774.db2.gz SGWDOCWLHQGZFT-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO CCn1cc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890114177 592684851 /nfs/dbraw/zinc/68/48/51/592684851.db2.gz WYOJWWGSDMJJRN-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)n1cccn1 ZINC000890114730 592685489 /nfs/dbraw/zinc/68/54/89/592685489.db2.gz WRPCMCHQGIVUMQ-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2=COCCC2)c1 ZINC000890114820 592685925 /nfs/dbraw/zinc/68/59/25/592685925.db2.gz YVQJQTPQYPIEKV-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000054067802 604379185 /nfs/dbraw/zinc/37/91/85/604379185.db2.gz PNDSZORBNVLCTC-VIFPVBQESA-N 1 2 211.265 0.678 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000054067802 604379186 /nfs/dbraw/zinc/37/91/86/604379186.db2.gz PNDSZORBNVLCTC-VIFPVBQESA-N 1 2 211.265 0.678 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000299901151 634400392 /nfs/dbraw/zinc/40/03/92/634400392.db2.gz ASXKDGFBANCMBU-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000299901151 634400398 /nfs/dbraw/zinc/40/03/98/634400398.db2.gz ASXKDGFBANCMBU-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+](C)CCS(N)(=O)=O ZINC000093236566 634477988 /nfs/dbraw/zinc/47/79/88/634477988.db2.gz GAOFHLHXKCFUNY-VIFPVBQESA-N 1 2 243.332 0.363 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+](C)CCS(N)(=O)=O ZINC000093236566 634477992 /nfs/dbraw/zinc/47/79/92/634477992.db2.gz GAOFHLHXKCFUNY-VIFPVBQESA-N 1 2 243.332 0.363 20 0 BCADLO COC(=O)[C@@H](F)CSc1nc(N)cc(C)[nH+]1 ZINC000125437851 634497269 /nfs/dbraw/zinc/49/72/69/634497269.db2.gz QNCBQKQKWNYFMD-LURJTMIESA-N 1 2 245.279 0.970 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cscn1 ZINC001010375092 635457981 /nfs/dbraw/zinc/45/79/81/635457981.db2.gz FUOKNSFTAVTDOE-MRVPVSSYSA-N 1 2 243.307 0.917 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cscn1 ZINC001010375092 635457986 /nfs/dbraw/zinc/45/79/86/635457986.db2.gz FUOKNSFTAVTDOE-MRVPVSSYSA-N 1 2 243.307 0.917 20 0 BCADLO C/C=C(/C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000255327327 631236664 /nfs/dbraw/zinc/23/66/64/631236664.db2.gz XIJQTDMXDVNTEN-QJGQKNTRSA-N 1 2 239.363 0.705 20 0 BCADLO OC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891436521 631249246 /nfs/dbraw/zinc/24/92/46/631249246.db2.gz OTVCTGAPPDOAJT-SNVBAGLBSA-N 1 2 232.287 0.938 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000933326708 631259593 /nfs/dbraw/zinc/25/95/93/631259593.db2.gz FZJXPTBJSXRWPQ-NEPJUHHUSA-N 1 2 245.319 0.139 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCO[C@H]1CCOC1 ZINC000933326708 631259601 /nfs/dbraw/zinc/25/96/01/631259601.db2.gz FZJXPTBJSXRWPQ-NEPJUHHUSA-N 1 2 245.319 0.139 20 0 BCADLO CCOC(C[N@@H+]1CCOC[C@@H]1COC)OCC ZINC000933328796 631262097 /nfs/dbraw/zinc/26/20/97/631262097.db2.gz CQDMMJVMJAWBHM-NSHDSACASA-N 1 2 247.335 0.733 20 0 BCADLO CCOC(C[N@H+]1CCOC[C@@H]1COC)OCC ZINC000933328796 631262099 /nfs/dbraw/zinc/26/20/99/631262099.db2.gz CQDMMJVMJAWBHM-NSHDSACASA-N 1 2 247.335 0.733 20 0 BCADLO COCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308393612 631310168 /nfs/dbraw/zinc/31/01/68/631310168.db2.gz SFUBNOMZQJPLSH-UHFFFAOYSA-N 1 2 209.249 0.317 20 0 BCADLO C[C@@H](C(=O)NCc1ccc(N)[nH+]c1)n1cccn1 ZINC000308394521 631311464 /nfs/dbraw/zinc/31/14/64/631311464.db2.gz VHQVKIDCOBTBMF-VIFPVBQESA-N 1 2 245.286 0.738 20 0 BCADLO Nc1ccc(CNC(=O)[C@@H]2CCCO2)c[nH+]1 ZINC000308377817 631314634 /nfs/dbraw/zinc/31/46/34/631314634.db2.gz CHCDQRYRAUKDFR-VIFPVBQESA-N 1 2 221.260 0.459 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000891514436 631382036 /nfs/dbraw/zinc/38/20/36/631382036.db2.gz ROXSAFBTJFHFHJ-KOLCDFICSA-N 1 2 237.303 0.504 20 0 BCADLO CCNC(=O)CN(CC)c1nccn2c[nH+]cc12 ZINC000891537583 631389652 /nfs/dbraw/zinc/38/96/52/631389652.db2.gz WAFXIQJLJYPBNN-UHFFFAOYSA-N 1 2 247.302 0.692 20 0 BCADLO Cc1cc(N)nc(SCC[S@](C)=O)[nH+]1 ZINC000308513777 631410317 /nfs/dbraw/zinc/41/03/17/631410317.db2.gz LYIDHYFINBEVRL-AWEZNQCLSA-N 1 2 231.346 0.838 20 0 BCADLO Cn1ncc(C[N@@H+]2CCCNC(=O)C2)c1C1CC1 ZINC000891809516 631497476 /nfs/dbraw/zinc/49/74/76/631497476.db2.gz NZWMZTQCCIORRA-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Cn1ncc(C[N@H+]2CCCNC(=O)C2)c1C1CC1 ZINC000891809516 631497483 /nfs/dbraw/zinc/49/74/83/631497483.db2.gz NZWMZTQCCIORRA-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCOCC1 ZINC000893867325 635633247 /nfs/dbraw/zinc/63/32/47/635633247.db2.gz UYROHPJHPCBVGB-UHFFFAOYSA-N 1 2 207.277 0.804 20 0 BCADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934013881 631595646 /nfs/dbraw/zinc/59/56/46/631595646.db2.gz XEBPEPCQLUQXFR-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934013881 631595654 /nfs/dbraw/zinc/59/56/54/631595654.db2.gz XEBPEPCQLUQXFR-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO COc1ncc(C[N@@H+]2CC[C@H]2CO)c(C)n1 ZINC000934015288 631608396 /nfs/dbraw/zinc/60/83/96/631608396.db2.gz VPZVJWQZRCFYMO-JTQLQIEISA-N 1 2 223.276 0.360 20 0 BCADLO COc1ncc(C[N@H+]2CC[C@H]2CO)c(C)n1 ZINC000934015288 631608401 /nfs/dbraw/zinc/60/84/01/631608401.db2.gz VPZVJWQZRCFYMO-JTQLQIEISA-N 1 2 223.276 0.360 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@@H]1CO ZINC000934019565 631616936 /nfs/dbraw/zinc/61/69/36/631616936.db2.gz QGNUMBTVZLPWLG-HTQZYQBOSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@@H]1CO ZINC000934019565 631616943 /nfs/dbraw/zinc/61/69/43/631616943.db2.gz QGNUMBTVZLPWLG-HTQZYQBOSA-N 1 2 208.265 0.186 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000934020184 631621412 /nfs/dbraw/zinc/62/14/12/631621412.db2.gz XVIIISOWACBYOQ-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO OC[C@H]1CC[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000934020184 631621420 /nfs/dbraw/zinc/62/14/20/631621420.db2.gz XVIIISOWACBYOQ-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO COC(=O)c1coc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934024027 631623868 /nfs/dbraw/zinc/62/38/68/631623868.db2.gz NVHHAUYMCTXQTQ-SECBINFHSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1coc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934024027 631623872 /nfs/dbraw/zinc/62/38/72/631623872.db2.gz NVHHAUYMCTXQTQ-SECBINFHSA-N 1 2 225.244 0.633 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000934044857 631625758 /nfs/dbraw/zinc/62/57/58/631625758.db2.gz YKPWMJSXMIXMOE-SZEHBUNVSA-N 1 2 241.291 0.833 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NC1CCCC1 ZINC000934029516 631628642 /nfs/dbraw/zinc/62/86/42/631628642.db2.gz GUZLXKKSRLFPBX-JTQLQIEISA-N 1 2 212.293 0.112 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NC1CCCC1 ZINC000934029516 631628648 /nfs/dbraw/zinc/62/86/48/631628648.db2.gz GUZLXKKSRLFPBX-JTQLQIEISA-N 1 2 212.293 0.112 20 0 BCADLO CC1CCC(NC(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934029029 631629389 /nfs/dbraw/zinc/62/93/89/631629389.db2.gz RUMLKESCBSIQLC-MCIGGMRASA-N 1 2 240.347 0.748 20 0 BCADLO CC1CCC(NC(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934029029 631629392 /nfs/dbraw/zinc/62/93/92/631629392.db2.gz RUMLKESCBSIQLC-MCIGGMRASA-N 1 2 240.347 0.748 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NC1CCCC1 ZINC000934029517 631629973 /nfs/dbraw/zinc/62/99/73/631629973.db2.gz GUZLXKKSRLFPBX-SNVBAGLBSA-N 1 2 212.293 0.112 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NC1CCCC1 ZINC000934029517 631629980 /nfs/dbraw/zinc/62/99/80/631629980.db2.gz GUZLXKKSRLFPBX-SNVBAGLBSA-N 1 2 212.293 0.112 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2COCC[C@H]2OC)n1 ZINC000934035823 631635776 /nfs/dbraw/zinc/63/57/76/631635776.db2.gz UDDSFIHLMYOMNT-GHMZBOCLSA-N 1 2 240.307 0.192 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000924873212 635683285 /nfs/dbraw/zinc/68/32/85/635683285.db2.gz PVVFDJRDJWRBQV-POYBYMJQSA-N 1 2 224.264 0.307 20 0 BCADLO CCCCOC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248955304 635684850 /nfs/dbraw/zinc/68/48/50/635684850.db2.gz QCAIKIPMIAZCJF-GHMZBOCLSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248955304 635684856 /nfs/dbraw/zinc/68/48/56/635684856.db2.gz QCAIKIPMIAZCJF-GHMZBOCLSA-N 1 2 247.335 0.393 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)nn1 ZINC000934111524 631686322 /nfs/dbraw/zinc/68/63/22/631686322.db2.gz SKPNEEFUCHUDAB-MNOVXSKESA-N 1 2 224.308 0.907 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)nn1 ZINC000934111524 631686327 /nfs/dbraw/zinc/68/63/27/631686327.db2.gz SKPNEEFUCHUDAB-MNOVXSKESA-N 1 2 224.308 0.907 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C)o1 ZINC000934114631 631692586 /nfs/dbraw/zinc/69/25/86/631692586.db2.gz UZBRRGZWHYYLEN-IUCAKERBSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C)o1 ZINC000934114631 631692590 /nfs/dbraw/zinc/69/25/90/631692590.db2.gz UZBRRGZWHYYLEN-IUCAKERBSA-N 1 2 211.265 0.987 20 0 BCADLO CC[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)OC ZINC000308903529 631722564 /nfs/dbraw/zinc/72/25/64/631722564.db2.gz BWPRPDVOYCOFIP-VHSXEESVSA-N 1 2 215.293 0.689 20 0 BCADLO CC(C)N(C)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000119935453 631782907 /nfs/dbraw/zinc/78/29/07/631782907.db2.gz ITCMFRMHFRDIPU-UHFFFAOYSA-N 1 2 246.336 0.058 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1O ZINC000309013189 631798664 /nfs/dbraw/zinc/79/86/64/631798664.db2.gz YFEKXFRRUNYUJK-SCZZXKLOSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1O ZINC000309013189 631798666 /nfs/dbraw/zinc/79/86/66/631798666.db2.gz YFEKXFRRUNYUJK-SCZZXKLOSA-N 1 2 210.281 0.018 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C ZINC000309044926 631823342 /nfs/dbraw/zinc/82/33/42/631823342.db2.gz NTZZNSAAALEZOP-DTWKUNHWSA-N 1 2 217.309 0.935 20 0 BCADLO CCC[C@H](O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426513 631835344 /nfs/dbraw/zinc/83/53/44/631835344.db2.gz VZMIPFMIOKRBKS-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@H](O)[C@@H](F)C1 ZINC000934569449 631933190 /nfs/dbraw/zinc/93/31/90/631933190.db2.gz GSJQYKALZBSCNP-WOPDTQHZSA-N 1 2 246.326 0.112 20 0 BCADLO CCOC(C[N@@H+]1CC[C@H](O)[C@H](F)C1)OCC ZINC000934568431 631937419 /nfs/dbraw/zinc/93/74/19/631937419.db2.gz WBRDZUGVUUXFGQ-ZJUUUORDSA-N 1 2 235.299 0.790 20 0 BCADLO CCOC(C[N@H+]1CC[C@H](O)[C@H](F)C1)OCC ZINC000934568431 631937424 /nfs/dbraw/zinc/93/74/24/631937424.db2.gz WBRDZUGVUUXFGQ-ZJUUUORDSA-N 1 2 235.299 0.790 20 0 BCADLO COC(C[N@@H+]1CC[C@H](O)[C@@H](F)C1)OC ZINC000934571801 631945219 /nfs/dbraw/zinc/94/52/19/631945219.db2.gz ZEVSWUBQPPXBGD-YUMQZZPRSA-N 1 2 207.245 0.010 20 0 BCADLO COC(C[N@H+]1CC[C@H](O)[C@@H](F)C1)OC ZINC000934571801 631945227 /nfs/dbraw/zinc/94/52/27/631945227.db2.gz ZEVSWUBQPPXBGD-YUMQZZPRSA-N 1 2 207.245 0.010 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934579068 631950368 /nfs/dbraw/zinc/95/03/68/631950368.db2.gz GRIQDVCPYSHDJX-NWDGAFQWSA-N 1 2 241.310 0.942 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934579068 631950369 /nfs/dbraw/zinc/95/03/69/631950369.db2.gz GRIQDVCPYSHDJX-NWDGAFQWSA-N 1 2 241.310 0.942 20 0 BCADLO CO[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308856543 631961952 /nfs/dbraw/zinc/96/19/52/631961952.db2.gz TXQXGMUPNZQYEM-SSDOTTSWSA-N 1 2 210.233 0.742 20 0 BCADLO CC[C@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000309214665 631968644 /nfs/dbraw/zinc/96/86/44/631968644.db2.gz UEGPFMIOUQZISP-ONGXEEELSA-N 1 2 215.293 0.689 20 0 BCADLO CS(=O)(=O)CCN1CC[NH+](CC2CC2)CC1 ZINC000052164407 632088794 /nfs/dbraw/zinc/08/87/94/632088794.db2.gz NTIWIBVNXYAQOM-UHFFFAOYSA-N 1 2 246.376 0.059 20 0 BCADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)N=c1nc[nH]n1C ZINC000934822332 632093985 /nfs/dbraw/zinc/09/39/85/632093985.db2.gz QWFCYRPMIGZUOJ-VIFPVBQESA-N 1 2 237.307 0.048 20 0 BCADLO CC(C)[N@H+]1CCC[C@H]1C(=O)N=c1nc[nH]n1C ZINC000934822332 632093989 /nfs/dbraw/zinc/09/39/89/632093989.db2.gz QWFCYRPMIGZUOJ-VIFPVBQESA-N 1 2 237.307 0.048 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cccc(CO)c1 ZINC000426484573 635726229 /nfs/dbraw/zinc/72/62/29/635726229.db2.gz LLTVAEAKIUQCNF-UHFFFAOYSA-N 1 2 245.282 0.842 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)c1nonc1C)C(=O)NC ZINC000926553065 632493989 /nfs/dbraw/zinc/49/39/89/632493989.db2.gz SVBQDQJVURAUDF-XPUUQOCRSA-N 1 2 226.280 0.553 20 0 BCADLO O=C(C[NH2+]Cc1cnc[nH]1)NCC(F)(F)F ZINC000309593650 632553112 /nfs/dbraw/zinc/55/31/12/632553112.db2.gz TUUQPTPBBKSNSN-UHFFFAOYSA-N 1 2 236.197 0.178 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1nonc1C)C(C)C ZINC000309627642 632586065 /nfs/dbraw/zinc/58/60/65/632586065.db2.gz GWLDMKUVXDYQJA-VIFPVBQESA-N 1 2 226.280 0.238 20 0 BCADLO Cc1nonc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309089502 632634719 /nfs/dbraw/zinc/63/47/19/632634719.db2.gz ANMYXUMDNUTGBX-XVKPBYJWSA-N 1 2 210.281 0.418 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](CO)C1CC1 ZINC000309951213 632685946 /nfs/dbraw/zinc/68/59/46/632685946.db2.gz GFLKMVZUVHNWBZ-GHMZBOCLSA-N 1 2 229.320 0.935 20 0 BCADLO CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923777688 632800610 /nfs/dbraw/zinc/80/06/10/632800610.db2.gz RVUYDHZYCUCFIF-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCNC2=O)n1 ZINC000926671703 632801773 /nfs/dbraw/zinc/80/17/73/632801773.db2.gz JZKRHCWIRMREGZ-VXNVDRBHSA-N 1 2 237.307 0.146 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccoc1 ZINC000092042391 632820205 /nfs/dbraw/zinc/82/02/05/632820205.db2.gz IZNNKZNZXRQTJM-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccoc1 ZINC000092042391 632820207 /nfs/dbraw/zinc/82/02/07/632820207.db2.gz IZNNKZNZXRQTJM-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@H]1CCc2[nH+]ccn2C1 ZINC000935597394 632853692 /nfs/dbraw/zinc/85/36/92/632853692.db2.gz KEXHAURWTQSWEL-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCOC2)cc[nH+]1 ZINC000309557148 633196156 /nfs/dbraw/zinc/19/61/56/633196156.db2.gz MWXADOVIMKBMHL-SECBINFHSA-N 1 2 222.244 0.744 20 0 BCADLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000894739236 635919419 /nfs/dbraw/zinc/91/94/19/635919419.db2.gz ZSKZRHKSIARLAT-LLVKDONJSA-N 1 2 248.330 0.359 20 0 BCADLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000894739236 635919423 /nfs/dbraw/zinc/91/94/23/635919423.db2.gz ZSKZRHKSIARLAT-LLVKDONJSA-N 1 2 248.330 0.359 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000305761882 635955020 /nfs/dbraw/zinc/95/50/20/635955020.db2.gz CQDNLMUCVJDUGG-JTQLQIEISA-N 1 2 215.293 0.500 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000305761882 635955023 /nfs/dbraw/zinc/95/50/23/635955023.db2.gz CQDNLMUCVJDUGG-JTQLQIEISA-N 1 2 215.293 0.500 20 0 BCADLO COCC1(O)CN(Cc2c(C)cc[nH+]c2N)C1 ZINC000894980081 636011263 /nfs/dbraw/zinc/01/12/63/636011263.db2.gz IMDKRZIKTULRHG-UHFFFAOYSA-N 1 2 237.303 0.165 20 0 BCADLO CC(F)(F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000328457267 633764781 /nfs/dbraw/zinc/76/47/81/633764781.db2.gz FWXBKRYLJQLYLY-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO CNc1cc(N2C[C@@H](CO)OC[C@@H]2C)nc[nH+]1 ZINC000122754223 633854313 /nfs/dbraw/zinc/85/43/13/633854313.db2.gz QIGNCVIZFIXSHE-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@@H](CO)OC[C@@H]2C)[nH+]cn1 ZINC000122754223 633854319 /nfs/dbraw/zinc/85/43/19/633854319.db2.gz QIGNCVIZFIXSHE-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2ccnc(N)c2)C1 ZINC000309347404 633899227 /nfs/dbraw/zinc/89/92/27/633899227.db2.gz MKWOXVVPQUZODO-UHFFFAOYSA-N 1 2 221.304 0.867 20 0 BCADLO CNc1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000309487669 633928123 /nfs/dbraw/zinc/92/81/23/633928123.db2.gz XLGMOBRIVYJCKE-SSDOTTSWSA-N 1 2 221.264 0.161 20 0 BCADLO CNc1cc(N[C@@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000309487669 633928131 /nfs/dbraw/zinc/92/81/31/633928131.db2.gz XLGMOBRIVYJCKE-SSDOTTSWSA-N 1 2 221.264 0.161 20 0 BCADLO CCONC(=O)NCCNc1cccc[nH+]1 ZINC000309637972 633979898 /nfs/dbraw/zinc/97/98/98/633979898.db2.gz KAEGLWHPOILEDE-UHFFFAOYSA-N 1 2 224.264 0.744 20 0 BCADLO CCCc1nc(C[NH2+][C@@H](CO)C2CC2)no1 ZINC000309961580 633989529 /nfs/dbraw/zinc/98/95/29/633989529.db2.gz LLVNHRMCRONKOW-VIFPVBQESA-N 1 2 225.292 0.883 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCC2(C1)OCCO2 ZINC000184652065 634014555 /nfs/dbraw/zinc/01/45/55/634014555.db2.gz XNLRYJGMXODMQS-SNVBAGLBSA-N 1 2 235.287 0.986 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCC2(C1)OCCO2 ZINC000184652065 634014563 /nfs/dbraw/zinc/01/45/63/634014563.db2.gz XNLRYJGMXODMQS-SNVBAGLBSA-N 1 2 235.287 0.986 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CC(C)C1 ZINC000930694039 634039120 /nfs/dbraw/zinc/03/91/20/634039120.db2.gz YKXWDAAPPPWOFE-AMUVOQDHSA-N 1 2 215.293 0.546 20 0 BCADLO COC(=O)C1([NH2+]CCC2OCCO2)CCCC1 ZINC000185374908 634041866 /nfs/dbraw/zinc/04/18/66/634041866.db2.gz VZGOLFJDOUIMQU-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO COc1ccc(CNCC[N@@H+]2CC[C@@H](O)C2)o1 ZINC000895637435 636170235 /nfs/dbraw/zinc/17/02/35/636170235.db2.gz VEVXQVYOKQEJAZ-SNVBAGLBSA-N 1 2 240.303 0.444 20 0 BCADLO COc1ccc(CNCC[N@H+]2CC[C@@H](O)C2)o1 ZINC000895637435 636170240 /nfs/dbraw/zinc/17/02/40/636170240.db2.gz VEVXQVYOKQEJAZ-SNVBAGLBSA-N 1 2 240.303 0.444 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC000930803619 634105081 /nfs/dbraw/zinc/10/50/81/634105081.db2.gz ABERHHBPCKKYQF-HTQZYQBOSA-N 1 2 241.316 0.779 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC000930803619 634105088 /nfs/dbraw/zinc/10/50/88/634105088.db2.gz ABERHHBPCKKYQF-HTQZYQBOSA-N 1 2 241.316 0.779 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccnc(N)c1 ZINC000930839817 634130915 /nfs/dbraw/zinc/13/09/15/634130915.db2.gz QJDVUZRXQDHDDA-AEJSXWLSSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccnc(N)c1 ZINC000930839817 634130921 /nfs/dbraw/zinc/13/09/21/634130921.db2.gz QJDVUZRXQDHDDA-AEJSXWLSSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccnc(N)c1 ZINC000930839824 634131764 /nfs/dbraw/zinc/13/17/64/634131764.db2.gz QJDVUZRXQDHDDA-IVZWLZJFSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccnc(N)c1 ZINC000930839824 634131767 /nfs/dbraw/zinc/13/17/67/634131767.db2.gz QJDVUZRXQDHDDA-IVZWLZJFSA-N 1 2 248.330 0.761 20 0 BCADLO Cn1c[nH+]cc1CN[C@]1(C)CC(C)(C)OC1=O ZINC000930872879 634147024 /nfs/dbraw/zinc/14/70/24/634147024.db2.gz AWLDLBDGMFVZPD-GFCCVEGCSA-N 1 2 237.303 0.994 20 0 BCADLO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000931041041 634194184 /nfs/dbraw/zinc/19/41/84/634194184.db2.gz GEQKWBAFELYEGW-JGVFFNPUSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000931041042 634194532 /nfs/dbraw/zinc/19/45/32/634194532.db2.gz GEQKWBAFELYEGW-SFYZADRCSA-N 1 2 225.296 0.035 20 0 BCADLO CON1CC[C@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000931165500 634237945 /nfs/dbraw/zinc/23/79/45/634237945.db2.gz LOIFKMWIQSTQOQ-LBPRGKRZSA-N 1 2 248.282 0.870 20 0 BCADLO CON1CC[C@H]([N@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000931165500 634237951 /nfs/dbraw/zinc/23/79/51/634237951.db2.gz LOIFKMWIQSTQOQ-LBPRGKRZSA-N 1 2 248.282 0.870 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC001027710703 635120489 /nfs/dbraw/zinc/12/04/89/635120489.db2.gz ZJOKTMAAHAETBD-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC001027710703 635120494 /nfs/dbraw/zinc/12/04/94/635120494.db2.gz ZJOKTMAAHAETBD-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nccn1C ZINC001027710152 635121228 /nfs/dbraw/zinc/12/12/28/635121228.db2.gz MEUZKEFUXLXHOS-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC001027710152 635121235 /nfs/dbraw/zinc/12/12/35/635121235.db2.gz MEUZKEFUXLXHOS-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nnc(C)o1 ZINC001027709262 635122342 /nfs/dbraw/zinc/12/23/42/635122342.db2.gz CXOLIEGRMKDVBC-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nnc(C)o1 ZINC001027709262 635122345 /nfs/dbraw/zinc/12/23/45/635122345.db2.gz CXOLIEGRMKDVBC-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CNc1cc(N2CCC[C@H]2CCO)nc[nH+]1 ZINC000258837659 635211343 /nfs/dbraw/zinc/21/13/43/635211343.db2.gz XFDKONNKCWSHCG-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@H]2CCO)[nH+]cn1 ZINC000258837659 635211346 /nfs/dbraw/zinc/21/13/46/635211346.db2.gz XFDKONNKCWSHCG-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@@H]2CCO)nc[nH+]1 ZINC000258837656 635212415 /nfs/dbraw/zinc/21/24/15/635212415.db2.gz XFDKONNKCWSHCG-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@@H]2CCO)[nH+]cn1 ZINC000258837656 635212421 /nfs/dbraw/zinc/21/24/21/635212421.db2.gz XFDKONNKCWSHCG-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO CSCC(=O)N1CCC[N@H+](CCF)CC1 ZINC000980674794 635255318 /nfs/dbraw/zinc/25/53/18/635255318.db2.gz VSZBMHNKHBWWQR-UHFFFAOYSA-N 1 2 234.340 0.853 20 0 BCADLO CSCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980674794 635255326 /nfs/dbraw/zinc/25/53/26/635255326.db2.gz VSZBMHNKHBWWQR-UHFFFAOYSA-N 1 2 234.340 0.853 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000097989703 635589989 /nfs/dbraw/zinc/58/99/89/635589989.db2.gz CAKZISYAAWUXHB-DTWKUNHWSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000097989703 635589994 /nfs/dbraw/zinc/58/99/94/635589994.db2.gz CAKZISYAAWUXHB-DTWKUNHWSA-N 1 2 227.260 0.187 20 0 BCADLO COC[C@H](C)NC(=S)NCCn1cc[nH+]c1 ZINC000048041077 635800917 /nfs/dbraw/zinc/80/09/17/635800917.db2.gz PFSQCAOGANHDKW-VIFPVBQESA-N 1 2 242.348 0.382 20 0 BCADLO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000894787487 635925200 /nfs/dbraw/zinc/92/52/00/635925200.db2.gz POJLCIVDQJQMRS-AAEUAGOBSA-N 1 2 245.282 0.994 20 0 BCADLO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000894787489 635925337 /nfs/dbraw/zinc/92/53/37/635925337.db2.gz POJLCIVDQJQMRS-WCQYABFASA-N 1 2 245.282 0.994 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1cnn(C)n1)c1cnn(C)c1 ZINC000925132353 636191720 /nfs/dbraw/zinc/19/17/20/636191720.db2.gz XIMPJDDNTMNECR-RKDXNWHRSA-N 1 2 234.307 0.960 20 0 BCADLO CNc1cc(NC[C@@H](O)c2ccnn2C)[nH+]cn1 ZINC000896628079 636207313 /nfs/dbraw/zinc/20/73/13/636207313.db2.gz LWNODBARODJFDP-SECBINFHSA-N 1 2 248.290 0.397 20 0 BCADLO Cn1nccc1[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000896629156 636210267 /nfs/dbraw/zinc/21/02/67/636210267.db2.gz QSUDIPPXRCVANA-NSHDSACASA-N 1 2 248.286 0.453 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cnn(C)n1 ZINC000925212065 636392153 /nfs/dbraw/zinc/39/21/53/636392153.db2.gz DQHLWGGTVWUTQP-IUCAKERBSA-N 1 2 237.307 0.087 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000928895970 636470955 /nfs/dbraw/zinc/47/09/55/636470955.db2.gz RAEKSRVLAVMVDY-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000928918391 636514427 /nfs/dbraw/zinc/51/44/27/636514427.db2.gz MAKGTMITYKFCMW-LNFKQOIKSA-N 1 2 249.314 0.675 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)c1csnn1 ZINC000872210394 636576156 /nfs/dbraw/zinc/57/61/56/636576156.db2.gz YEVBKBCDVCYXEW-SFYZADRCSA-N 1 2 245.348 0.711 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C[C@@H]1C ZINC000987638502 636656262 /nfs/dbraw/zinc/65/62/62/636656262.db2.gz ZFVGWWFSWDZXMX-IONNQARKSA-N 1 2 240.332 0.637 20 0 BCADLO C[C@]1([NH2+]Cc2cscn2)CCNC1=O ZINC000897873204 636840895 /nfs/dbraw/zinc/84/08/95/636840895.db2.gz YEPCBWCIAGTVMX-VIFPVBQESA-N 1 2 211.290 0.511 20 0 BCADLO C[C@@]1([NH2+]Cc2nccs2)CCNC1=O ZINC000897872369 636841517 /nfs/dbraw/zinc/84/15/17/636841517.db2.gz SXISDQUOXQICRG-SECBINFHSA-N 1 2 211.290 0.511 20 0 BCADLO CCn1ccnc1C[NH2+][C@]1(C)CCNC1=O ZINC000897872823 636841681 /nfs/dbraw/zinc/84/16/81/636841681.db2.gz WQMGJWFUDCOMQI-LLVKDONJSA-N 1 2 222.292 0.271 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000897934303 636847049 /nfs/dbraw/zinc/84/70/49/636847049.db2.gz MVVWKPQROTWDPI-AOOOYVTPSA-N 1 2 237.303 0.566 20 0 BCADLO COCC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923887607 636961357 /nfs/dbraw/zinc/96/13/57/636961357.db2.gz HHAZMEKWYTWHAP-NSHDSACASA-N 1 2 243.303 0.618 20 0 BCADLO COCC(=O)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923887607 636961374 /nfs/dbraw/zinc/96/13/74/636961374.db2.gz HHAZMEKWYTWHAP-NSHDSACASA-N 1 2 243.303 0.618 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]1O ZINC000923805289 637027633 /nfs/dbraw/zinc/02/76/33/637027633.db2.gz JUIUSUORHXFUPZ-RKDXNWHRSA-N 1 2 223.276 0.324 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC1(C)C ZINC000898887954 637060977 /nfs/dbraw/zinc/06/09/77/637060977.db2.gz GMEYOFXKWHBVJI-IUCAKERBSA-N 1 2 237.303 0.616 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898888561 637061126 /nfs/dbraw/zinc/06/11/26/637061126.db2.gz KBRACGMWITZYRI-XHNCKOQMSA-N 1 2 223.276 0.226 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C)CC1 ZINC000898888503 637061735 /nfs/dbraw/zinc/06/17/35/637061735.db2.gz PWUIIDKCWDPROR-MRVPVSSYSA-N 1 2 223.276 0.370 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1ccco1 ZINC000898887025 637062311 /nfs/dbraw/zinc/06/23/11/637062311.db2.gz IWAFTQGCPWZKAP-JTQLQIEISA-N 1 2 249.270 0.405 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C)CCC1 ZINC000898888918 637063824 /nfs/dbraw/zinc/06/38/24/637063824.db2.gz SAKHPAKLQXZYPF-VIFPVBQESA-N 1 2 237.303 0.760 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000900135903 637171603 /nfs/dbraw/zinc/17/16/03/637171603.db2.gz COWJRBANGJOIMK-IUCAKERBSA-N 1 2 223.276 0.588 20 0 BCADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900236255 637176258 /nfs/dbraw/zinc/17/62/58/637176258.db2.gz HHDWKFLJDSPMGX-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCSCC1 ZINC000900236342 637176538 /nfs/dbraw/zinc/17/65/38/637176538.db2.gz KIJQTGXTFBRTRX-UHFFFAOYSA-N 1 2 211.290 0.528 20 0 BCADLO CC1(C)COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900356755 637182196 /nfs/dbraw/zinc/18/21/96/637182196.db2.gz NLZGMBIXTSTJBU-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]c[nH+]c2C)n1C ZINC000900921318 637207255 /nfs/dbraw/zinc/20/72/55/637207255.db2.gz UXPSSDBJROHTCR-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901012409 637222043 /nfs/dbraw/zinc/22/20/43/637222043.db2.gz CVYWWLCTZMHQND-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO C[C@]1(NC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000901210750 637231550 /nfs/dbraw/zinc/23/15/50/637231550.db2.gz GNVKLQLFGYCKRS-LBPRGKRZSA-N 1 2 235.287 0.789 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cn(CC)cn1 ZINC000902615447 637314732 /nfs/dbraw/zinc/31/47/32/637314732.db2.gz CGZIUWFFDPCPSS-UHFFFAOYSA-N 1 2 240.307 0.403 20 0 BCADLO CCc1noc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000902691607 637326329 /nfs/dbraw/zinc/32/63/29/637326329.db2.gz ZHKGYPFXUPRSDH-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO OCC(F)(F)C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903154009 637348301 /nfs/dbraw/zinc/34/83/01/637348301.db2.gz VCVPVGJTVLOKGD-DTWKUNHWSA-N 1 2 237.246 0.152 20 0 BCADLO Cc1cccc([C@H](O)C[NH2+]Cc2ncn(C)n2)c1 ZINC000905196744 637674339 /nfs/dbraw/zinc/67/43/39/637674339.db2.gz SPXUFXGMOIMANM-GFCCVEGCSA-N 1 2 246.314 0.947 20 0 BCADLO [NH3+]C1(c2noc([C@@H]3CCCCN3)n2)CC1 ZINC000905314469 637741497 /nfs/dbraw/zinc/74/14/97/637741497.db2.gz JWDUIHGOWNMAIX-ZETCQYMHSA-N 1 2 208.265 0.832 20 0 BCADLO CCNC(=S)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905656246 637872918 /nfs/dbraw/zinc/87/29/18/637872918.db2.gz JHEMFXGWDJQZGB-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CON1CC[C@H]([NH2+][C@@H](C)c2cscn2)C1=O ZINC000905777526 637909034 /nfs/dbraw/zinc/90/90/34/637909034.db2.gz FYKREPUZEGWHMD-YUMQZZPRSA-N 1 2 241.316 0.956 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)NC)C(=O)OC ZINC000905768682 637922200 /nfs/dbraw/zinc/92/22/00/637922200.db2.gz AFNDWZYRHMVLIZ-QXEWZRGKSA-N 1 2 244.335 0.688 20 0 BCADLO CON1CC[C@@H]([NH2+][C@@H](C)c2ccn(C)n2)C1=O ZINC000905772945 637928325 /nfs/dbraw/zinc/92/83/25/637928325.db2.gz QSIMRINTLJYVSW-WCBMZHEXSA-N 1 2 238.291 0.233 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000905774569 637930194 /nfs/dbraw/zinc/93/01/94/637930194.db2.gz QPJBQISFJACVDF-ZYUZMQFOSA-N 1 2 242.319 0.428 20 0 BCADLO CC[C@H](O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817917 637945141 /nfs/dbraw/zinc/94/51/41/637945141.db2.gz UXWHEJGOFNVDRA-JTQLQIEISA-N 1 2 233.275 0.747 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906130614 638068180 /nfs/dbraw/zinc/06/81/80/638068180.db2.gz OPODEIZXGRMKCB-FBIMIBRVSA-N 1 2 233.271 0.224 20 0 BCADLO OCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906255293 638119120 /nfs/dbraw/zinc/11/91/20/638119120.db2.gz WSQUSLOGKOQXKM-UHFFFAOYSA-N 1 2 236.319 0.817 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906282198 638126788 /nfs/dbraw/zinc/12/67/88/638126788.db2.gz HOCWXLTYZRSXAK-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906282198 638126792 /nfs/dbraw/zinc/12/67/92/638126792.db2.gz HOCWXLTYZRSXAK-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO C[N@H+](Cc1cn(C2CC2)nn1)[C@H]1CCOC1 ZINC000906266315 638130535 /nfs/dbraw/zinc/13/05/35/638130535.db2.gz FSZYWODDVXNLQB-NSHDSACASA-N 1 2 222.292 0.834 20 0 BCADLO C[N@@H+](Cc1cn(C2CC2)nn1)[C@H]1CCOC1 ZINC000906266315 638130537 /nfs/dbraw/zinc/13/05/37/638130537.db2.gz FSZYWODDVXNLQB-NSHDSACASA-N 1 2 222.292 0.834 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906291153 638132994 /nfs/dbraw/zinc/13/29/94/638132994.db2.gz TWLBKFBSEWOVBL-KCJUWKMLSA-N 1 2 222.292 0.568 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906291153 638133001 /nfs/dbraw/zinc/13/30/01/638133001.db2.gz TWLBKFBSEWOVBL-KCJUWKMLSA-N 1 2 222.292 0.568 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906269468 638133134 /nfs/dbraw/zinc/13/31/34/638133134.db2.gz PAFJQOREGDQARW-QMMMGPOBSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906269468 638133136 /nfs/dbraw/zinc/13/31/36/638133136.db2.gz PAFJQOREGDQARW-QMMMGPOBSA-N 1 2 210.281 0.426 20 0 BCADLO CC1(C)C[N@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906302625 638135771 /nfs/dbraw/zinc/13/57/71/638135771.db2.gz NWYDXWZCSMNXTD-LLVKDONJSA-N 1 2 236.319 0.816 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906302625 638135775 /nfs/dbraw/zinc/13/57/75/638135775.db2.gz NWYDXWZCSMNXTD-LLVKDONJSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CC3)nn2)CC[C@H]1O ZINC000906298953 638137248 /nfs/dbraw/zinc/13/72/48/638137248.db2.gz FRYLNHANFTVLON-BXKDBHETSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CC[C@H]1O ZINC000906298953 638137255 /nfs/dbraw/zinc/13/72/55/638137255.db2.gz FRYLNHANFTVLON-BXKDBHETSA-N 1 2 236.319 0.816 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906639265 638226041 /nfs/dbraw/zinc/22/60/41/638226041.db2.gz JLPGAPAUIXNIRB-PWSUYJOCSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906638786 638226630 /nfs/dbraw/zinc/22/66/30/638226630.db2.gz GYVSXYUVAZEVDC-AVPPRXQKSA-N 1 2 233.271 0.294 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000906640667 638226698 /nfs/dbraw/zinc/22/66/98/638226698.db2.gz UQPVUOKSJPFBDL-DVVUODLYSA-N 1 2 237.303 0.739 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906698526 638234020 /nfs/dbraw/zinc/23/40/20/638234020.db2.gz WVLGKJDRPYYYAU-ADEWGFFLSA-N 1 2 249.314 0.937 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907307377 638337119 /nfs/dbraw/zinc/33/71/19/638337119.db2.gz JICJLMMAHUQWSW-YUSALJHKSA-N 1 2 247.298 0.304 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000907308142 638338230 /nfs/dbraw/zinc/33/82/30/638338230.db2.gz OZIKZSMATAUQLS-XOULXFPDSA-N 1 2 223.276 0.016 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000907308139 638339346 /nfs/dbraw/zinc/33/93/46/638339346.db2.gz OZIKZSMATAUQLS-HMDXOVGESA-N 1 2 223.276 0.016 20 0 BCADLO Cc1nnc(NC(=O)CNc2cccc[nH+]2)n1C ZINC000907335027 638346697 /nfs/dbraw/zinc/34/66/97/638346697.db2.gz PILZXKNCQISTKK-UHFFFAOYSA-N 1 2 246.274 0.569 20 0 BCADLO CCc1cnc(CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000907436575 638381709 /nfs/dbraw/zinc/38/17/09/638381709.db2.gz CYSYIHDTKYITCK-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)nn1C ZINC000907466568 638382719 /nfs/dbraw/zinc/38/27/19/638382719.db2.gz KAWTUOQKPWQODI-UHFFFAOYSA-N 1 2 235.247 0.333 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1n[nH]cc1F ZINC000907527920 638397028 /nfs/dbraw/zinc/39/70/28/638397028.db2.gz KAJMJRZCOGFIDY-ZETCQYMHSA-N 1 2 249.249 0.490 20 0 BCADLO CC[C@@]1(CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907624522 638421679 /nfs/dbraw/zinc/42/16/79/638421679.db2.gz SCUDWRHOPHJCCP-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@H]1CO ZINC000907632240 638425970 /nfs/dbraw/zinc/42/59/70/638425970.db2.gz NKAAJJWWAQMDMH-QWRGUYRKSA-N 1 2 249.314 0.723 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2ncsc2C1 ZINC000907612224 638431477 /nfs/dbraw/zinc/43/14/77/638431477.db2.gz AOYVHDLKOUUPKK-UHFFFAOYSA-N 1 2 248.311 0.994 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOC(F)(F)F ZINC000907668684 638439877 /nfs/dbraw/zinc/43/98/77/638439877.db2.gz JJQRMASLWLZEOG-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC(F)(F)C(F)F ZINC000907702600 638450508 /nfs/dbraw/zinc/45/05/08/638450508.db2.gz CJZXLLLVIGUBOM-UHFFFAOYSA-N 1 2 239.172 0.969 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000907818468 638475825 /nfs/dbraw/zinc/47/58/25/638475825.db2.gz OGNXBAJMKHMDLP-DOFRTFSJSA-N 1 2 205.261 0.867 20 0 BCADLO CC1(C)CN(C(=O)CNc2cccc[nH+]2)C[C@H]1O ZINC000907860073 638490785 /nfs/dbraw/zinc/49/07/85/638490785.db2.gz SVFSFKXTNIYPQL-SNVBAGLBSA-N 1 2 249.314 0.723 20 0 BCADLO CC1(C)CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000907860072 638491235 /nfs/dbraw/zinc/49/12/35/638491235.db2.gz SVFSFKXTNIYPQL-JTQLQIEISA-N 1 2 249.314 0.723 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C2CC2)O1 ZINC000907868390 638492917 /nfs/dbraw/zinc/49/29/17/638492917.db2.gz TYVZAWHWXLXWHD-JOYOIKCWSA-N 1 2 249.314 0.978 20 0 BCADLO CC(C)(O)[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907906176 638508816 /nfs/dbraw/zinc/50/88/16/638508816.db2.gz ZHTWVYGDSVYDHK-SNVBAGLBSA-N 1 2 249.270 0.405 20 0 BCADLO C[C@@H]1COCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908158833 638583466 /nfs/dbraw/zinc/58/34/66/638583466.db2.gz ATZFFWVYHSHGLH-ZJUUUORDSA-N 1 2 237.303 0.741 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)C(=O)O1 ZINC000908208064 638611923 /nfs/dbraw/zinc/61/19/23/638611923.db2.gz MGSYTRAUVGWOQQ-BDAKNGLRSA-N 1 2 249.270 0.314 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000908387626 638701033 /nfs/dbraw/zinc/70/10/33/638701033.db2.gz DQRISVWRRPDUGP-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000908436581 638714160 /nfs/dbraw/zinc/71/41/60/638714160.db2.gz SRUBYIIUJGZLSN-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO C[NH+](C)CCO[N-]C(=O)CNc1cccc[nH+]1 ZINC000908528439 638999901 /nfs/dbraw/zinc/99/99/01/638999901.db2.gz QSFBQAFFLJGTQW-UHFFFAOYSA-N 1 2 238.291 0.103 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]1C1CC1 ZINC000908558341 639014585 /nfs/dbraw/zinc/01/45/85/639014585.db2.gz XIKZNJHNWMKQQB-JTQLQIEISA-N 1 2 205.261 0.963 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000908694331 639047565 /nfs/dbraw/zinc/04/75/65/639047565.db2.gz RCNXHSBRRJPHQN-OCAPTIKFSA-N 1 2 215.203 0.471 20 0 BCADLO Cc1nc(C)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000908757534 639061862 /nfs/dbraw/zinc/06/18/62/639061862.db2.gz BRRYSQHABFBJHV-SECBINFHSA-N 1 2 245.286 0.578 20 0 BCADLO CC(C)OC(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000909272724 639182166 /nfs/dbraw/zinc/18/21/66/639182166.db2.gz RZUOEHOKKHDVRQ-QMMMGPOBSA-N 1 2 239.275 0.409 20 0 BCADLO CO[C@@H]([C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000909264190 639186971 /nfs/dbraw/zinc/18/69/71/639186971.db2.gz CLYGCBJOLUWBAV-PELKAZGASA-N 1 2 237.303 0.882 20 0 BCADLO CC(C)(NC(=O)Cn1cc[nH+]c1)c1cn[nH]n1 ZINC000909722034 639210059 /nfs/dbraw/zinc/21/00/59/639210059.db2.gz PSTWDDXVHNLCQH-UHFFFAOYSA-N 1 2 234.263 0.053 20 0 BCADLO Cc1[nH+]ccn1CC(=O)NC(C)(C)c1c[nH]nn1 ZINC000909725537 639212934 /nfs/dbraw/zinc/21/29/34/639212934.db2.gz UNZUAGGEMZSJJR-UHFFFAOYSA-N 1 2 248.290 0.361 20 0 BCADLO C[N@H+](C[C@@H]1CCOC1)Cn1ccsc1=O ZINC000746613221 639229753 /nfs/dbraw/zinc/22/97/53/639229753.db2.gz DCGXYBSVLRIFMH-VIFPVBQESA-N 1 2 228.317 0.836 20 0 BCADLO C[N@@H+](C[C@@H]1CCOC1)Cn1ccsc1=O ZINC000746613221 639229758 /nfs/dbraw/zinc/22/97/58/639229758.db2.gz DCGXYBSVLRIFMH-VIFPVBQESA-N 1 2 228.317 0.836 20 0 BCADLO Cc1ncc(C(=O)NCCc2cn(C)c[nH+]2)n1C ZINC000909857530 639233928 /nfs/dbraw/zinc/23/39/28/639233928.db2.gz VPLSFZIPLXTCNN-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO CCC[C@H](O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000909875661 639248512 /nfs/dbraw/zinc/24/85/12/639248512.db2.gz JIAHFXKIQXZWHQ-VIFPVBQESA-N 1 2 224.260 0.868 20 0 BCADLO CC[C@@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000909929970 639279394 /nfs/dbraw/zinc/27/93/94/639279394.db2.gz JDIJZJRSWXVEMQ-LLVKDONJSA-N 1 2 224.260 0.868 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CS2 ZINC000909933040 639283352 /nfs/dbraw/zinc/28/33/52/639283352.db2.gz WAOQMNOPNZWJGI-IUCAKERBSA-N 1 2 223.301 0.669 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C2CCC2)C1 ZINC000910402881 639433158 /nfs/dbraw/zinc/43/31/58/639433158.db2.gz XNUCVDQJXOYSHD-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](O)C(C)C ZINC000910453956 639455511 /nfs/dbraw/zinc/45/55/11/639455511.db2.gz QNXKKYMFTDKXDG-JQWIXIFHSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H]1[C@@H](CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910561314 639481640 /nfs/dbraw/zinc/48/16/40/639481640.db2.gz SXIVUVRZYSPMDR-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1C[C@@H](CO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911183450 639590166 /nfs/dbraw/zinc/59/01/66/639590166.db2.gz RSRHOKYPINVISK-NXEZZACHSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000911188994 639592137 /nfs/dbraw/zinc/59/21/37/639592137.db2.gz TUXAJMDMDDPIMN-SCZZXKLOSA-N 1 2 223.276 0.324 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCCC1(O)CCC1 ZINC000911200817 639595844 /nfs/dbraw/zinc/59/58/44/639595844.db2.gz WTNRPEPYABKSIH-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO O=C(COC(F)(F)F)NCCn1cc[nH+]c1 ZINC000930221747 639641542 /nfs/dbraw/zinc/64/15/42/639641542.db2.gz LEIZVEZPKBMFKZ-UHFFFAOYSA-N 1 2 237.181 0.536 20 0 BCADLO CC[C@@H](C)C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911539906 639668744 /nfs/dbraw/zinc/66/87/44/639668744.db2.gz FEEZYNPMAVVOLY-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC1CC1 ZINC000930288575 639681274 /nfs/dbraw/zinc/68/12/74/639681274.db2.gz ZSZYQDLMLJEIFH-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC1CC1 ZINC000930288575 639681282 /nfs/dbraw/zinc/68/12/82/639681282.db2.gz ZSZYQDLMLJEIFH-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCN(C)C(C)(C)C2)C1=O ZINC000930313165 639697835 /nfs/dbraw/zinc/69/78/35/639697835.db2.gz YGYHVIIMKBDUQO-JTQLQIEISA-N 1 2 241.335 0.175 20 0 BCADLO CON1CC[C@H]([N@H+]2CCN(C)C(C)(C)C2)C1=O ZINC000930313165 639697841 /nfs/dbraw/zinc/69/78/41/639697841.db2.gz YGYHVIIMKBDUQO-JTQLQIEISA-N 1 2 241.335 0.175 20 0 BCADLO CN(C[Si](C)(C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000911729042 639755615 /nfs/dbraw/zinc/75/56/15/639755615.db2.gz XMTKXSHPQSOKHE-JTQLQIEISA-N 1 2 244.411 0.653 20 0 BCADLO CN(C[Si](C)(C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000911729042 639755621 /nfs/dbraw/zinc/75/56/21/639755621.db2.gz XMTKXSHPQSOKHE-JTQLQIEISA-N 1 2 244.411 0.653 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930468602 639768107 /nfs/dbraw/zinc/76/81/07/639768107.db2.gz FTFBOJOVUMLFLO-XHNCKOQMSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930468602 639768113 /nfs/dbraw/zinc/76/81/13/639768113.db2.gz FTFBOJOVUMLFLO-XHNCKOQMSA-N 1 2 239.262 0.084 20 0 BCADLO N#Cc1cnn(C(=O)CCCn2cc[nH+]c2)c1N ZINC000155957115 639792782 /nfs/dbraw/zinc/79/27/82/639792782.db2.gz KGBMSRQUTOFUCJ-UHFFFAOYSA-N 1 2 244.258 0.654 20 0 BCADLO C[N@H+](Cc1cnn(CCF)c1)C(C)(C)C(N)=O ZINC000930598914 639816258 /nfs/dbraw/zinc/81/62/58/639816258.db2.gz RXZMPGJKUMTROP-UHFFFAOYSA-N 1 2 242.298 0.548 20 0 BCADLO C[N@@H+](Cc1cnn(CCF)c1)C(C)(C)C(N)=O ZINC000930598914 639816259 /nfs/dbraw/zinc/81/62/59/639816259.db2.gz RXZMPGJKUMTROP-UHFFFAOYSA-N 1 2 242.298 0.548 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000930603885 639817766 /nfs/dbraw/zinc/81/77/66/639817766.db2.gz SJZRUHGSUUBFCO-YUMQZZPRSA-N 1 2 202.229 0.193 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000930603885 639817768 /nfs/dbraw/zinc/81/77/68/639817768.db2.gz SJZRUHGSUUBFCO-YUMQZZPRSA-N 1 2 202.229 0.193 20 0 BCADLO Cc1cc(NC(=O)NN2CCCC2=O)c(C)c[nH+]1 ZINC000930627744 639830379 /nfs/dbraw/zinc/83/03/79/639830379.db2.gz VXCFTZKJVYOTNO-UHFFFAOYSA-N 1 2 248.286 0.779 20 0 BCADLO CCc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000930651284 639845887 /nfs/dbraw/zinc/84/58/87/639845887.db2.gz YEVLVABYYCGJRA-SECBINFHSA-N 1 2 223.276 0.687 20 0 BCADLO CCc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000930651284 639845890 /nfs/dbraw/zinc/84/58/90/639845890.db2.gz YEVLVABYYCGJRA-SECBINFHSA-N 1 2 223.276 0.687 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nncs1 ZINC000930661118 639850708 /nfs/dbraw/zinc/85/07/08/639850708.db2.gz VBYLWQXXZMVDMN-HTQZYQBOSA-N 1 2 229.305 0.432 20 0 BCADLO COC[C@H](C[NH2+][C@@](C)(CO)C(=O)OC)C(C)C ZINC000930691689 639863198 /nfs/dbraw/zinc/86/31/98/639863198.db2.gz FENATXKFYXOYTL-JQWIXIFHSA-N 1 2 247.335 0.419 20 0 BCADLO CC(C)CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930729794 639882118 /nfs/dbraw/zinc/88/21/18/639882118.db2.gz MWAMMQOCQRMSMU-UHFFFAOYSA-N 1 2 206.311 0.005 20 0 BCADLO NS(=O)(=O)C1C[NH+](CCCC2CCC2)C1 ZINC000930735505 639885554 /nfs/dbraw/zinc/88/55/54/639885554.db2.gz QBEZPCHFSWMKQO-UHFFFAOYSA-N 1 2 232.349 0.539 20 0 BCADLO NS(=O)(=O)C1C[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000930735756 639886660 /nfs/dbraw/zinc/88/66/60/639886660.db2.gz YSJVYTQUOMYAPO-KOLCDFICSA-N 1 2 244.360 0.395 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@H+](Cc2nncs2)C1 ZINC000930748814 639893874 /nfs/dbraw/zinc/89/38/74/639893874.db2.gz LWKUVTZMZPKSJU-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2nncs2)C1 ZINC000930748814 639893878 /nfs/dbraw/zinc/89/38/78/639893878.db2.gz LWKUVTZMZPKSJU-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nn(C)cc2C)C1 ZINC000930747313 639894870 /nfs/dbraw/zinc/89/48/70/639894870.db2.gz JZSHUGOLJIMUFH-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2nn(C)cc2C)C1 ZINC000930747313 639894876 /nfs/dbraw/zinc/89/48/76/639894876.db2.gz JZSHUGOLJIMUFH-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO COCC1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000911964842 639908626 /nfs/dbraw/zinc/90/86/26/639908626.db2.gz HMKXYWQSMQCFQK-UHFFFAOYSA-N 1 2 235.287 0.598 20 0 BCADLO C[C@H](O)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000912072650 639947150 /nfs/dbraw/zinc/94/71/50/639947150.db2.gz PUHWDXISJVODKN-QMMMGPOBSA-N 1 2 223.276 0.324 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+](C)CCN1CCCCC1 ZINC000930864081 639953650 /nfs/dbraw/zinc/95/36/50/639953650.db2.gz KHLQNDQWIOYLSH-RYUDHWBXSA-N 1 2 230.352 0.146 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+](C)CCN1CCCCC1 ZINC000930864081 639953656 /nfs/dbraw/zinc/95/36/56/639953656.db2.gz KHLQNDQWIOYLSH-RYUDHWBXSA-N 1 2 230.352 0.146 20 0 BCADLO Nc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000930865150 639955925 /nfs/dbraw/zinc/95/59/25/639955925.db2.gz XOGJPAWGICXHIG-PUTJDCORSA-N 1 2 237.328 0.369 20 0 BCADLO Nc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000930865150 639955933 /nfs/dbraw/zinc/95/59/33/639955933.db2.gz XOGJPAWGICXHIG-PUTJDCORSA-N 1 2 237.328 0.369 20 0 BCADLO CC[N@H+](C[C@H](O)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000930919213 639989600 /nfs/dbraw/zinc/98/96/00/639989600.db2.gz IXVOZPLDGHRSCB-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO CC[N@@H+](C[C@H](O)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000930919213 639989602 /nfs/dbraw/zinc/98/96/02/639989602.db2.gz IXVOZPLDGHRSCB-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@H]1CCCCN1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912160765 639991069 /nfs/dbraw/zinc/99/10/69/639991069.db2.gz TZYJOMHOKOEQRW-VIFPVBQESA-N 1 2 222.292 0.858 20 0 BCADLO COC1CC(CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912281935 640014778 /nfs/dbraw/zinc/01/47/78/640014778.db2.gz UDXQLQZNPRBJOK-UHFFFAOYSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CCC3(COC3)O2)CCO1 ZINC000931035306 640028362 /nfs/dbraw/zinc/02/83/62/640028362.db2.gz JLFGFNCOIZYIBZ-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC3(COC3)O2)CCO1 ZINC000931035306 640028363 /nfs/dbraw/zinc/02/83/63/640028363.db2.gz JLFGFNCOIZYIBZ-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H](OC)C1 ZINC000931035647 640029340 /nfs/dbraw/zinc/02/93/40/640029340.db2.gz RLMWGHHORLXRCH-HBNTYKKESA-N 1 2 243.303 0.490 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](OC)C1 ZINC000931035647 640029343 /nfs/dbraw/zinc/02/93/43/640029343.db2.gz RLMWGHHORLXRCH-HBNTYKKESA-N 1 2 243.303 0.490 20 0 BCADLO COCCN(CCF)C(=O)Cc1c[nH+]c[nH]1 ZINC000912410279 640056150 /nfs/dbraw/zinc/05/61/50/640056150.db2.gz AQMFJLOGJHPUEE-UHFFFAOYSA-N 1 2 229.255 0.397 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140722 640076576 /nfs/dbraw/zinc/07/65/76/640076576.db2.gz VXXYKHUDRVZMIW-VIFPVBQESA-N 1 2 237.307 0.468 20 0 BCADLO CNC(=O)CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140722 640076583 /nfs/dbraw/zinc/07/65/83/640076583.db2.gz VXXYKHUDRVZMIW-VIFPVBQESA-N 1 2 237.307 0.468 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCO[C@H]1CC1(F)F ZINC000912450074 640080326 /nfs/dbraw/zinc/08/03/26/640080326.db2.gz GJUZHJWJHZBCKN-QMMMGPOBSA-N 1 2 245.229 0.493 20 0 BCADLO CC(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931192465 640095681 /nfs/dbraw/zinc/09/56/81/640095681.db2.gz YMHAEAGKDRYNJP-UHFFFAOYSA-N 1 2 209.249 0.073 20 0 BCADLO CC(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931192465 640095684 /nfs/dbraw/zinc/09/56/84/640095684.db2.gz YMHAEAGKDRYNJP-UHFFFAOYSA-N 1 2 209.249 0.073 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000912510480 640101550 /nfs/dbraw/zinc/10/15/50/640101550.db2.gz CMPPMEXQBKIOQE-GXFFZTMASA-N 1 2 247.298 0.477 20 0 BCADLO COC[C@H](C[N@H+](C)C1CS(=O)(=O)C1)C(C)C ZINC000931232515 640104652 /nfs/dbraw/zinc/10/46/52/640104652.db2.gz AJPRRLAYBBCEKF-JTQLQIEISA-N 1 2 249.376 0.634 20 0 BCADLO COC[C@H](C[N@@H+](C)C1CS(=O)(=O)C1)C(C)C ZINC000931232515 640104658 /nfs/dbraw/zinc/10/46/58/640104658.db2.gz AJPRRLAYBBCEKF-JTQLQIEISA-N 1 2 249.376 0.634 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931232346 640105053 /nfs/dbraw/zinc/10/50/53/640105053.db2.gz BDSMMVMKPHNILT-BDAKNGLRSA-N 1 2 233.333 0.140 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931232346 640105057 /nfs/dbraw/zinc/10/50/57/640105057.db2.gz BDSMMVMKPHNILT-BDAKNGLRSA-N 1 2 233.333 0.140 20 0 BCADLO C[N@H+](CCC[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931232882 640106305 /nfs/dbraw/zinc/10/63/05/640106305.db2.gz HASINIZEBNLOKJ-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[N@@H+](CCC[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931232882 640106309 /nfs/dbraw/zinc/10/63/09/640106309.db2.gz HASINIZEBNLOKJ-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000931259817 640119825 /nfs/dbraw/zinc/11/98/25/640119825.db2.gz MKICXWGNSBPDPZ-SNVBAGLBSA-N 1 2 243.282 0.981 20 0 BCADLO Cc1nnc(CC[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000931259817 640119833 /nfs/dbraw/zinc/11/98/33/640119833.db2.gz MKICXWGNSBPDPZ-SNVBAGLBSA-N 1 2 243.282 0.981 20 0 BCADLO COc1cccc2c1C[N@H+](C[C@@H](O)CO)C2 ZINC000931261603 640121860 /nfs/dbraw/zinc/12/18/60/640121860.db2.gz CLFPYGVIFLKYGN-SNVBAGLBSA-N 1 2 223.272 0.364 20 0 BCADLO COc1cccc2c1C[N@@H+](C[C@@H](O)CO)C2 ZINC000931261603 640121867 /nfs/dbraw/zinc/12/18/67/640121867.db2.gz CLFPYGVIFLKYGN-SNVBAGLBSA-N 1 2 223.272 0.364 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=CCCC1 ZINC000912615679 640139490 /nfs/dbraw/zinc/13/94/90/640139490.db2.gz UHLZNHCIBXWHOT-SNVBAGLBSA-N 1 2 235.287 0.680 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCn1cccn1)C2 ZINC000931313936 640151726 /nfs/dbraw/zinc/15/17/26/640151726.db2.gz SBBHBAVKGFGVKR-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCn1cccn1)C2 ZINC000931313936 640151730 /nfs/dbraw/zinc/15/17/30/640151730.db2.gz SBBHBAVKGFGVKR-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO C[C@@H](O)C1(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000912694626 640169060 /nfs/dbraw/zinc/16/90/60/640169060.db2.gz YKZFQSNVVHRUPG-SECBINFHSA-N 1 2 235.287 0.523 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912728161 640181330 /nfs/dbraw/zinc/18/13/30/640181330.db2.gz YKJVRMRPQGMPFU-ZKCHVHJHSA-N 1 2 237.259 0.020 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912738484 640187680 /nfs/dbraw/zinc/18/76/80/640187680.db2.gz GTTSJMWWUJOIJR-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912738484 640187683 /nfs/dbraw/zinc/18/76/83/640187683.db2.gz GTTSJMWWUJOIJR-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)Cc2c[nH]nc21 ZINC000931456728 640212817 /nfs/dbraw/zinc/21/28/17/640212817.db2.gz XARHTGXPRLGQDZ-QMMMGPOBSA-N 1 2 234.303 0.607 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)Cc2c[nH]nc21 ZINC000931456728 640212822 /nfs/dbraw/zinc/21/28/22/640212822.db2.gz XARHTGXPRLGQDZ-QMMMGPOBSA-N 1 2 234.303 0.607 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456709 640213037 /nfs/dbraw/zinc/21/30/37/640213037.db2.gz WXSDOIJLLBRECA-RKDXNWHRSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456709 640213043 /nfs/dbraw/zinc/21/30/43/640213043.db2.gz WXSDOIJLLBRECA-RKDXNWHRSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931453816 640213546 /nfs/dbraw/zinc/21/35/46/640213546.db2.gz TVKUZTLRKXAWDC-IUCAKERBSA-N 1 2 248.330 0.996 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931453816 640213543 /nfs/dbraw/zinc/21/35/43/640213543.db2.gz TVKUZTLRKXAWDC-IUCAKERBSA-N 1 2 248.330 0.996 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000913010919 640281086 /nfs/dbraw/zinc/28/10/86/640281086.db2.gz FKVHKIOYEJIVNK-WDEREUQCSA-N 1 2 235.287 0.732 20 0 BCADLO COC1(OC)CC[N@H+](Cc2ccon2)C[C@@H]1O ZINC000931632974 640296440 /nfs/dbraw/zinc/29/64/40/640296440.db2.gz DZGGMEHAPTWSGO-JTQLQIEISA-N 1 2 242.275 0.230 20 0 BCADLO COC1(OC)CC[N@@H+](Cc2ccon2)C[C@@H]1O ZINC000931632974 640296445 /nfs/dbraw/zinc/29/64/45/640296445.db2.gz DZGGMEHAPTWSGO-JTQLQIEISA-N 1 2 242.275 0.230 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000931698923 640323282 /nfs/dbraw/zinc/32/32/82/640323282.db2.gz QKSYCBHGNFYOKW-SNVBAGLBSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000931698923 640323284 /nfs/dbraw/zinc/32/32/84/640323284.db2.gz QKSYCBHGNFYOKW-SNVBAGLBSA-N 1 2 243.253 0.676 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000931765043 640355976 /nfs/dbraw/zinc/35/59/76/640355976.db2.gz ACHXRMDRRFICEB-VXGBXAGGSA-N 1 2 248.282 0.706 20 0 BCADLO CCCc1nc(C[NH2+][C@H](CC)CO)no1 ZINC000931767781 640361496 /nfs/dbraw/zinc/36/14/96/640361496.db2.gz WRFRTGLMIGGQPG-MRVPVSSYSA-N 1 2 213.281 0.883 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(c2ccccn2)C1 ZINC000913377606 640361867 /nfs/dbraw/zinc/36/18/67/640361867.db2.gz SUUZEQGRXKZDCG-UHFFFAOYSA-N 1 2 242.282 0.904 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452005 640372269 /nfs/dbraw/zinc/37/22/69/640372269.db2.gz XGXZDIAKYXOHGG-LSJOCFKGSA-N 1 2 234.303 0.539 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452004 640372752 /nfs/dbraw/zinc/37/27/52/640372752.db2.gz XGXZDIAKYXOHGG-INTQDDNPSA-N 1 2 234.303 0.539 20 0 BCADLO CC(C)C(C)(C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544864 640391819 /nfs/dbraw/zinc/39/18/19/640391819.db2.gz ODXQLNXOAGDQRJ-NSHDSACASA-N 1 2 242.363 0.804 20 0 BCADLO CC(C)C(C)(C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544864 640391826 /nfs/dbraw/zinc/39/18/26/640391826.db2.gz ODXQLNXOAGDQRJ-NSHDSACASA-N 1 2 242.363 0.804 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)no1 ZINC000931936226 640396770 /nfs/dbraw/zinc/39/67/70/640396770.db2.gz MLTMGUYUYYDXGN-VIFPVBQESA-N 1 2 238.291 0.256 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000931936226 640396778 /nfs/dbraw/zinc/39/67/78/640396778.db2.gz MLTMGUYUYYDXGN-VIFPVBQESA-N 1 2 238.291 0.256 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H](CO)C(C)C ZINC000156300413 640398996 /nfs/dbraw/zinc/39/89/96/640398996.db2.gz DJARMGJSAXZTTP-SNVBAGLBSA-N 1 2 217.309 0.792 20 0 BCADLO CS(=O)(=O)CC[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000156584401 640466263 /nfs/dbraw/zinc/46/62/63/640466263.db2.gz TUNKQFGRQYCQOS-NSHDSACASA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CC[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000156584401 640466267 /nfs/dbraw/zinc/46/62/67/640466267.db2.gz TUNKQFGRQYCQOS-NSHDSACASA-N 1 2 247.360 0.674 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932345994 640487835 /nfs/dbraw/zinc/48/78/35/640487835.db2.gz KIRULQNUMGEULJ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCO[C@@H](C)CC1 ZINC000932345994 640487839 /nfs/dbraw/zinc/48/78/39/640487839.db2.gz KIRULQNUMGEULJ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932344363 640488001 /nfs/dbraw/zinc/48/80/01/640488001.db2.gz WGXIKXYZEBFTRO-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCO[C@H](C)CC1 ZINC000932344363 640488007 /nfs/dbraw/zinc/48/80/07/640488007.db2.gz WGXIKXYZEBFTRO-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO CC[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(N)=O ZINC000932360359 640498695 /nfs/dbraw/zinc/49/86/95/640498695.db2.gz LOWUGXQENPRLII-ZJUUUORDSA-N 1 2 234.303 0.781 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC001030040128 640533223 /nfs/dbraw/zinc/53/32/23/640533223.db2.gz NFTYOVQVCBCEKK-QMMMGPOBSA-N 1 2 212.293 0.232 20 0 BCADLO Cn1c[nH+]cc1CN1CC(NC(=O)C2CC2)C1 ZINC001030042435 640535780 /nfs/dbraw/zinc/53/57/80/640535780.db2.gz IUHWNCKGQDTXGK-UHFFFAOYSA-N 1 2 234.303 0.131 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048596 640541680 /nfs/dbraw/zinc/54/16/80/640541680.db2.gz KDNGSCNZVUBVII-MRVPVSSYSA-N 1 2 232.299 0.570 20 0 BCADLO CCC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030050230 640542129 /nfs/dbraw/zinc/54/21/29/640542129.db2.gz YUNWYEZOWAAJGR-UHFFFAOYSA-N 1 2 206.236 0.852 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030048036 640542872 /nfs/dbraw/zinc/54/28/72/640542872.db2.gz YOSFBSNAYCQWBV-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030058146 640554383 /nfs/dbraw/zinc/55/43/83/640554383.db2.gz YAKFDVIVGNZOAM-SECBINFHSA-N 1 2 238.287 0.729 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCn2cccc2C1 ZINC000932526205 640567075 /nfs/dbraw/zinc/56/70/75/640567075.db2.gz SBFILEGDVTZMMI-LBPRGKRZSA-N 1 2 238.287 0.228 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+]1CCn2cccc2C1 ZINC000932526205 640567082 /nfs/dbraw/zinc/56/70/82/640567082.db2.gz SBFILEGDVTZMMI-LBPRGKRZSA-N 1 2 238.287 0.228 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](CCO)C2)c1 ZINC001030074622 640577031 /nfs/dbraw/zinc/57/70/31/640577031.db2.gz WKLKNDHVMHJAQF-UHFFFAOYSA-N 1 2 234.299 0.401 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)c1 ZINC001030074894 640578259 /nfs/dbraw/zinc/57/82/59/640578259.db2.gz ZBWONBUMYFUFEQ-LLVKDONJSA-N 1 2 248.326 0.790 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCCO)C2)o1 ZINC001030079488 640580672 /nfs/dbraw/zinc/58/06/72/640580672.db2.gz ALMITYVBKQBFAI-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CCCO2)C1 ZINC001030081519 640581753 /nfs/dbraw/zinc/58/17/53/640581753.db2.gz LATTZYSSECSPNS-GFCCVEGCSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030089129 640584211 /nfs/dbraw/zinc/58/42/11/640584211.db2.gz KNLGQMBOLSTDLD-MNOVXSKESA-N 1 2 238.331 0.524 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030101327 640594372 /nfs/dbraw/zinc/59/43/72/640594372.db2.gz BLDYQKQWUIQTIE-VIFPVBQESA-N 1 2 238.287 0.729 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030105354 640595947 /nfs/dbraw/zinc/59/59/47/640595947.db2.gz IWACISLPJQZMSS-QMMMGPOBSA-N 1 2 224.260 0.074 20 0 BCADLO O=C(Cn1cccn1)NC1C[NH+](CCCF)C1 ZINC001030106001 640596287 /nfs/dbraw/zinc/59/62/87/640596287.db2.gz VHXPXKLPYKWQDV-UHFFFAOYSA-N 1 2 240.282 0.043 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000932643921 640596901 /nfs/dbraw/zinc/59/69/01/640596901.db2.gz NBNCSFXYJBVXRU-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000932643921 640596907 /nfs/dbraw/zinc/59/69/07/640596907.db2.gz NBNCSFXYJBVXRU-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cn1 ZINC001030111577 640601582 /nfs/dbraw/zinc/60/15/82/640601582.db2.gz CKMHXLUDQLUSSV-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO CCC[C@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000932718614 640603859 /nfs/dbraw/zinc/60/38/59/640603859.db2.gz ZNZCPKWNSXFMQF-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000932717507 640603978 /nfs/dbraw/zinc/60/39/78/640603978.db2.gz RLBMDBDWLMWZJO-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC000932975114 640657654 /nfs/dbraw/zinc/65/76/54/640657654.db2.gz YNGDOXHAMIFPDS-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC000932975114 640657659 /nfs/dbraw/zinc/65/76/59/640657659.db2.gz YNGDOXHAMIFPDS-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCC(C)=O ZINC000933161776 640671981 /nfs/dbraw/zinc/67/19/81/640671981.db2.gz OQYABJXZUQQKJQ-PWSUYJOCSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCC(C)=O ZINC000933161776 640671985 /nfs/dbraw/zinc/67/19/85/640671985.db2.gz OQYABJXZUQQKJQ-PWSUYJOCSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCCN2Cc1c[nH+]cn1C ZINC000933159544 640672209 /nfs/dbraw/zinc/67/22/09/640672209.db2.gz YEOJFSHLSAWOFK-MFKMUULPSA-N 1 2 249.314 0.948 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030196040 640673829 /nfs/dbraw/zinc/67/38/29/640673829.db2.gz ZKDMVRKIJQMVKD-VHSXEESVSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@H+](CCc1cn[nH]n1)C(C)(C)C(=O)OC ZINC000933191397 640677548 /nfs/dbraw/zinc/67/75/48/640677548.db2.gz JYPKJECYEGPTBX-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CC[N@@H+](CCc1cn[nH]n1)C(C)(C)C(=O)OC ZINC000933191397 640677554 /nfs/dbraw/zinc/67/75/54/640677554.db2.gz JYPKJECYEGPTBX-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CC[N@H+](CCc1c[nH]nn1)C(C)(C)C(=O)OC ZINC000933191397 640677558 /nfs/dbraw/zinc/67/75/58/640677558.db2.gz JYPKJECYEGPTBX-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CC[N@@H+](CCc1c[nH]nn1)C(C)(C)C(=O)OC ZINC000933191397 640677563 /nfs/dbraw/zinc/67/75/63/640677563.db2.gz JYPKJECYEGPTBX-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2cc[nH]c2C)C1 ZINC001030202687 640679597 /nfs/dbraw/zinc/67/95/97/640679597.db2.gz XDSAJWAVPQSYKS-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030203591 640680810 /nfs/dbraw/zinc/68/08/10/640680810.db2.gz FEYFFFGLUXREEF-UHFFFAOYSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1nccnc1C ZINC000933216814 640682649 /nfs/dbraw/zinc/68/26/49/640682649.db2.gz FDGIDJRFVGQADU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1nccnc1C ZINC000933216814 640682653 /nfs/dbraw/zinc/68/26/53/640682653.db2.gz FDGIDJRFVGQADU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(C(=O)NC1C[NH+](CCO)C1)=C1CCCC1 ZINC001030206343 640683138 /nfs/dbraw/zinc/68/31/38/640683138.db2.gz UUIRBVIJSNJXOA-UHFFFAOYSA-N 1 2 238.331 0.670 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccnn1C ZINC000933228662 640688345 /nfs/dbraw/zinc/68/83/45/640688345.db2.gz CRGVUUKBWNXPGV-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccnn1C ZINC000933228662 640688349 /nfs/dbraw/zinc/68/83/49/640688349.db2.gz CRGVUUKBWNXPGV-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccn(C)c2)C1 ZINC001030216706 640690342 /nfs/dbraw/zinc/69/03/42/640690342.db2.gz OKQFOPHEGTVCCK-UHFFFAOYSA-N 1 2 207.277 0.459 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(=O)N(C)C)C2 ZINC000933257452 640691436 /nfs/dbraw/zinc/69/14/36/640691436.db2.gz XDRZSBRYVTYQHS-UHFFFAOYSA-N 1 2 236.319 0.349 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H](C)C(N)=O)C2 ZINC000933259399 640691514 /nfs/dbraw/zinc/69/15/14/640691514.db2.gz PBSIGRKXBIUWBW-QMMMGPOBSA-N 1 2 222.292 0.135 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC2(C)C)C1 ZINC001030222389 640692924 /nfs/dbraw/zinc/69/29/24/640692924.db2.gz BZJYHZRCRGSDKY-SNVBAGLBSA-N 1 2 226.320 0.479 20 0 BCADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000933291063 640698721 /nfs/dbraw/zinc/69/87/21/640698721.db2.gz XJAQJAZZCIJHMJ-JTQLQIEISA-N 1 2 236.319 0.804 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000933328784 640703432 /nfs/dbraw/zinc/70/34/32/640703432.db2.gz CHSAAOVIXQALCF-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@@H]1COCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000933328784 640703437 /nfs/dbraw/zinc/70/34/37/640703437.db2.gz CHSAAOVIXQALCF-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(=O)cc[nH]2)CC[N@@H+]1C ZINC000933558811 640725076 /nfs/dbraw/zinc/72/50/76/640725076.db2.gz LPTDSYLGXSIXKK-VIFPVBQESA-N 1 2 235.287 0.151 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(=O)cc[nH]2)CC[N@H+]1C ZINC000933558811 640725083 /nfs/dbraw/zinc/72/50/83/640725083.db2.gz LPTDSYLGXSIXKK-VIFPVBQESA-N 1 2 235.287 0.151 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933669260 640742463 /nfs/dbraw/zinc/74/24/63/640742463.db2.gz DDRYNOQNOKVUIW-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933669260 640742467 /nfs/dbraw/zinc/74/24/67/640742467.db2.gz DDRYNOQNOKVUIW-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934024736 640801990 /nfs/dbraw/zinc/80/19/90/640801990.db2.gz BCUVLVCAZNTMKN-NXEZZACHSA-N 1 2 214.309 0.214 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934024736 640801992 /nfs/dbraw/zinc/80/19/92/640801992.db2.gz BCUVLVCAZNTMKN-NXEZZACHSA-N 1 2 214.309 0.214 20 0 BCADLO COC(=O)c1cncc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934015000 640808256 /nfs/dbraw/zinc/80/82/56/640808256.db2.gz MONLGSWUAAYRPM-LLVKDONJSA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cncc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934015000 640808262 /nfs/dbraw/zinc/80/82/62/640808262.db2.gz MONLGSWUAAYRPM-LLVKDONJSA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cncc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934015001 640809492 /nfs/dbraw/zinc/80/94/92/640809492.db2.gz MONLGSWUAAYRPM-NSHDSACASA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cncc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934015001 640809496 /nfs/dbraw/zinc/80/94/96/640809496.db2.gz MONLGSWUAAYRPM-NSHDSACASA-N 1 2 236.271 0.435 20 0 BCADLO CC[NH+]1CC(NC(=O)C2(F)CCOCC2)C1 ZINC001030412864 640838558 /nfs/dbraw/zinc/83/85/58/640838558.db2.gz XZWGOXSMIBEUEK-UHFFFAOYSA-N 1 2 230.283 0.325 20 0 BCADLO Cc1cc(C)c(C(=O)NC2C[NH+](CCO)C2)[nH]1 ZINC001030535436 640901598 /nfs/dbraw/zinc/90/15/98/640901598.db2.gz RTNKIKZBTGLLGC-UHFFFAOYSA-N 1 2 237.303 0.038 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001030545557 640907631 /nfs/dbraw/zinc/90/76/31/640907631.db2.gz WLRKOOQOBHMJNA-SNVBAGLBSA-N 1 2 248.330 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001030560404 640912188 /nfs/dbraw/zinc/91/21/88/640912188.db2.gz KAEWZBOZCNSFEN-QWRGUYRKSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001030560779 640912300 /nfs/dbraw/zinc/91/23/00/640912300.db2.gz OBEAIXGQLMPLTO-RKDXNWHRSA-N 1 2 212.293 0.232 20 0 BCADLO CNc1cc(NCC[S@@](C)=O)[nH+]cn1 ZINC000229299540 640942707 /nfs/dbraw/zinc/94/27/07/640942707.db2.gz FZUGKXFOMWFODV-CQSZACIVSA-N 1 2 214.294 0.309 20 0 BCADLO CNc1cc(NCC[S@](C)=O)[nH+]cn1 ZINC000229299549 640943198 /nfs/dbraw/zinc/94/31/98/640943198.db2.gz FZUGKXFOMWFODV-AWEZNQCLSA-N 1 2 214.294 0.309 20 0 BCADLO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000682422307 640947283 /nfs/dbraw/zinc/94/72/83/640947283.db2.gz QHHWONYPMZPZNT-WRWGMCAJSA-N 1 2 240.347 0.868 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000087638670 640953139 /nfs/dbraw/zinc/95/31/39/640953139.db2.gz PPNODQRCOQZUEB-OTQAPUNGSA-N 1 2 226.276 0.055 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@@H]1C(N)=O ZINC000087638670 640953146 /nfs/dbraw/zinc/95/31/46/640953146.db2.gz PPNODQRCOQZUEB-OTQAPUNGSA-N 1 2 226.276 0.055 20 0 BCADLO COC(C[N@@H+]1CCC(=O)[C@H](C)C1)OC ZINC000229541806 640965456 /nfs/dbraw/zinc/96/54/56/640965456.db2.gz POXTVTMBUZMGJB-MRVPVSSYSA-N 1 2 201.266 0.516 20 0 BCADLO COC(C[N@H+]1CCC(=O)[C@H](C)C1)OC ZINC000229541806 640965462 /nfs/dbraw/zinc/96/54/62/640965462.db2.gz POXTVTMBUZMGJB-MRVPVSSYSA-N 1 2 201.266 0.516 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000230014012 641004786 /nfs/dbraw/zinc/00/47/86/641004786.db2.gz ASXKDGFBANCMBU-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000230014012 641004791 /nfs/dbraw/zinc/00/47/91/641004791.db2.gz ASXKDGFBANCMBU-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H](C)CO ZINC000230074975 641013567 /nfs/dbraw/zinc/01/35/67/641013567.db2.gz SQDLBFWUFNUXIZ-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000230074975 641013574 /nfs/dbraw/zinc/01/35/74/641013574.db2.gz SQDLBFWUFNUXIZ-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO COC[C@@H](O)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000230158629 641033388 /nfs/dbraw/zinc/03/33/88/641033388.db2.gz YZAWBDCCTVADEB-ZJUUUORDSA-N 1 2 247.335 0.704 20 0 BCADLO CCN(CCOC)c1cc(NC)[nH+]cn1 ZINC000087821933 641056848 /nfs/dbraw/zinc/05/68/48/641056848.db2.gz TVNAYFMKXUNOQX-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO CCN(CCOC)c1cc(NC)nc[nH+]1 ZINC000087821933 641056850 /nfs/dbraw/zinc/05/68/50/641056850.db2.gz TVNAYFMKXUNOQX-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000087819259 641057061 /nfs/dbraw/zinc/05/70/61/641057061.db2.gz GMFZLYJIIPEHBA-VIFPVBQESA-N 1 2 222.292 0.727 20 0 BCADLO CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000087819259 641057064 /nfs/dbraw/zinc/05/70/64/641057064.db2.gz GMFZLYJIIPEHBA-VIFPVBQESA-N 1 2 222.292 0.727 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1nncn1C ZINC000934113001 641076281 /nfs/dbraw/zinc/07/62/81/641076281.db2.gz YBAMPQGVZHTOJE-LPEHRKFASA-N 1 2 224.308 0.985 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1nncn1C ZINC000934113001 641076286 /nfs/dbraw/zinc/07/62/86/641076286.db2.gz YBAMPQGVZHTOJE-LPEHRKFASA-N 1 2 224.308 0.985 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)no1 ZINC000934113357 641077188 /nfs/dbraw/zinc/07/71/88/641077188.db2.gz NSBGLWYGRPZVQK-IUCAKERBSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000934113357 641077193 /nfs/dbraw/zinc/07/71/93/641077193.db2.gz NSBGLWYGRPZVQK-IUCAKERBSA-N 1 2 211.265 0.987 20 0 BCADLO OCC[C@H]1COCC[N@@H+]1CCc1cscn1 ZINC000934284814 641118842 /nfs/dbraw/zinc/11/88/42/641118842.db2.gz JTYCUPUIOQOXNX-NSHDSACASA-N 1 2 242.344 0.769 20 0 BCADLO OCC[C@H]1COCC[N@H+]1CCc1cscn1 ZINC000934284814 641118846 /nfs/dbraw/zinc/11/88/46/641118846.db2.gz JTYCUPUIOQOXNX-NSHDSACASA-N 1 2 242.344 0.769 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccc3nccn32)C1 ZINC001030670661 641135837 /nfs/dbraw/zinc/13/58/37/641135837.db2.gz ARLWHYXTMXHQJM-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCOC12CCCC2 ZINC000934393612 641140925 /nfs/dbraw/zinc/14/09/25/641140925.db2.gz ZIROJABEZJUCAG-UWVGGRQHSA-N 1 2 225.288 0.993 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccco2)no1 ZINC000088001134 641146109 /nfs/dbraw/zinc/14/61/09/641146109.db2.gz XLWBBBCVWAWBBF-LURJTMIESA-N 1 2 209.205 0.976 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(N)cn1 ZINC000231297391 641157240 /nfs/dbraw/zinc/15/72/40/641157240.db2.gz BDNYHBHSZPTNQP-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(N)cn1 ZINC000231297391 641157245 /nfs/dbraw/zinc/15/72/45/641157245.db2.gz BDNYHBHSZPTNQP-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO CCc1nc(C[NH2+][C@H]2C[C@@H](NC(C)=O)C2)no1 ZINC001021745731 641183424 /nfs/dbraw/zinc/18/34/24/641183424.db2.gz FFJOSRRSLYZFNC-DTORHVGOSA-N 1 2 238.291 0.389 20 0 BCADLO CC[C@@H](O)C[N@H+](C)CCS(=O)(=O)CC ZINC000305700129 641185635 /nfs/dbraw/zinc/18/56/35/641185635.db2.gz PHTLBRWAHASORS-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)CCS(=O)(=O)CC ZINC000305700129 641185641 /nfs/dbraw/zinc/18/56/41/641185641.db2.gz PHTLBRWAHASORS-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO O[C@H]1CC[N@H+](CCc2cnccn2)C[C@H]1F ZINC000934568479 641199420 /nfs/dbraw/zinc/19/94/20/641199420.db2.gz UZSIPHFXOFBAEF-MNOVXSKESA-N 1 2 225.267 0.424 20 0 BCADLO O[C@H]1CC[N@@H+](CCc2cnccn2)C[C@H]1F ZINC000934568479 641199446 /nfs/dbraw/zinc/19/94/46/641199446.db2.gz UZSIPHFXOFBAEF-MNOVXSKESA-N 1 2 225.267 0.424 20 0 BCADLO COC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933056698 641204551 /nfs/dbraw/zinc/20/45/51/641204551.db2.gz UYJXPUFSTORARU-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO O=C1CCCN1CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934580109 641207204 /nfs/dbraw/zinc/20/72/04/641207204.db2.gz IRTXLJYFJQVYJB-VHSXEESVSA-N 1 2 230.283 0.014 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934580109 641207207 /nfs/dbraw/zinc/20/72/07/641207207.db2.gz IRTXLJYFJQVYJB-VHSXEESVSA-N 1 2 230.283 0.014 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1F ZINC000934575427 641207542 /nfs/dbraw/zinc/20/75/42/641207542.db2.gz NJSFSBPJCDAHOX-GRYCIOLGSA-N 1 2 247.310 0.587 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1F ZINC000934575427 641207548 /nfs/dbraw/zinc/20/75/48/641207548.db2.gz NJSFSBPJCDAHOX-GRYCIOLGSA-N 1 2 247.310 0.587 20 0 BCADLO O[C@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1F ZINC000934576607 641207861 /nfs/dbraw/zinc/20/78/61/641207861.db2.gz RMEIWBXMRSWCSP-QWRGUYRKSA-N 1 2 210.252 0.986 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1F ZINC000934576607 641207866 /nfs/dbraw/zinc/20/78/66/641207866.db2.gz RMEIWBXMRSWCSP-QWRGUYRKSA-N 1 2 210.252 0.986 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cc(F)c[nH]1 ZINC001030691866 641251440 /nfs/dbraw/zinc/25/14/40/641251440.db2.gz QPINOENNHQFRSR-UHFFFAOYSA-N 1 2 243.257 0.927 20 0 BCADLO CNC(=O)CC(=O)NNc1cc[nH+]cc1Cl ZINC000187512412 641272975 /nfs/dbraw/zinc/27/29/75/641272975.db2.gz XRIVIWSRSDEULC-UHFFFAOYSA-N 1 2 242.666 0.314 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001030699771 641281915 /nfs/dbraw/zinc/28/19/15/641281915.db2.gz SBZQFTVJWHTOHH-ZMLRMANQSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030699940 641283673 /nfs/dbraw/zinc/28/36/73/641283673.db2.gz QJDNPPFJMJPMJL-GXSJLCMTSA-N 1 2 244.310 0.571 20 0 BCADLO CCC[C@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000934911969 641301611 /nfs/dbraw/zinc/30/16/11/641301611.db2.gz FTDLWXJNYSDCIK-NSHDSACASA-N 1 2 239.319 0.893 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1cnco1 ZINC001030759920 641336153 /nfs/dbraw/zinc/33/61/53/641336153.db2.gz DZKINEUWBAJIII-UHFFFAOYSA-N 1 2 221.260 0.499 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000929513351 641340299 /nfs/dbraw/zinc/34/02/99/641340299.db2.gz CCBCDIIHXBOHGH-MWLCHTKSSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000929513351 641340306 /nfs/dbraw/zinc/34/03/06/641340306.db2.gz CCBCDIIHXBOHGH-MWLCHTKSSA-N 1 2 242.319 0.396 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929520198 641344198 /nfs/dbraw/zinc/34/41/98/641344198.db2.gz PKZDIAYGMTZVGP-MRVPVSSYSA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929520198 641344203 /nfs/dbraw/zinc/34/42/03/641344203.db2.gz PKZDIAYGMTZVGP-MRVPVSSYSA-N 1 2 240.332 0.768 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001030809904 641363202 /nfs/dbraw/zinc/36/32/02/641363202.db2.gz QCXRHFXAHMGVCF-URLYPYJESA-N 1 2 242.294 0.039 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@]2(F)CCOC2)C1 ZINC001030841904 641377151 /nfs/dbraw/zinc/37/71/51/641377151.db2.gz LUIPXSDQDQBZMY-NSHDSACASA-N 1 2 230.283 0.324 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001030851937 641382916 /nfs/dbraw/zinc/38/29/16/641382916.db2.gz ADASGOQUEZFGKF-IUCAKERBSA-N 1 2 214.284 0.945 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001030850900 641383020 /nfs/dbraw/zinc/38/30/20/641383020.db2.gz LBQRPIHRZAGVFT-NXEZZACHSA-N 1 2 244.310 0.571 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000935329365 641387481 /nfs/dbraw/zinc/38/74/81/641387481.db2.gz NUCHDLWLUSAUCX-NXEZZACHSA-N 1 2 223.276 0.114 20 0 BCADLO C[C@H]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030865366 641389987 /nfs/dbraw/zinc/38/99/87/641389987.db2.gz KXGZNQUVQGRTMZ-QWRGUYRKSA-N 1 2 240.347 0.605 20 0 BCADLO C[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030865365 641390415 /nfs/dbraw/zinc/39/04/15/641390415.db2.gz KXGZNQUVQGRTMZ-MNOVXSKESA-N 1 2 240.347 0.605 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H]1COCCO1 ZINC000929681636 641394768 /nfs/dbraw/zinc/39/47/68/641394768.db2.gz WAGVERGEVJUTRD-KALYDTEFSA-N 1 2 247.360 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H]1COCCO1 ZINC000929681636 641394774 /nfs/dbraw/zinc/39/47/74/641394774.db2.gz WAGVERGEVJUTRD-KALYDTEFSA-N 1 2 247.360 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H]1COCCO1 ZINC000929681635 641395216 /nfs/dbraw/zinc/39/52/16/641395216.db2.gz WAGVERGEVJUTRD-ZAQLIGFBSA-N 1 2 247.360 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H]1COCCO1 ZINC000929681635 641395221 /nfs/dbraw/zinc/39/52/21/641395221.db2.gz WAGVERGEVJUTRD-ZAQLIGFBSA-N 1 2 247.360 0.243 20 0 BCADLO C[C@H](c1ccccc1)[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883556 641399799 /nfs/dbraw/zinc/39/97/99/641399799.db2.gz NMTMNAPJADUEHD-SECBINFHSA-N 1 2 247.298 0.033 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030898790 641409172 /nfs/dbraw/zinc/40/91/72/641409172.db2.gz WTRHBJMDAGBBJP-ZJUUUORDSA-N 1 2 226.320 0.215 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cn(C)ccc2=O)C1 ZINC000935478814 641416636 /nfs/dbraw/zinc/41/66/36/641416636.db2.gz BRQAOLTWLBTIKD-UHFFFAOYSA-N 1 2 249.314 0.208 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1n[nH]cc1F ZINC001030911700 641417248 /nfs/dbraw/zinc/41/72/48/641417248.db2.gz CZIYPZBFBZXLTF-UHFFFAOYSA-N 1 2 244.245 0.322 20 0 BCADLO CC1(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)COC1 ZINC000935488249 641417690 /nfs/dbraw/zinc/41/76/90/641417690.db2.gz MJMMDQRHRQZMAQ-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935485764 641417881 /nfs/dbraw/zinc/41/78/81/641417881.db2.gz DNEHMKLZINNRGM-CABZTGNLSA-N 1 2 237.303 0.475 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935485760 641418310 /nfs/dbraw/zinc/41/83/10/641418310.db2.gz DNEHMKLZINNRGM-BXKDBHETSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cn[nH]n1 ZINC000935595876 641439083 /nfs/dbraw/zinc/43/90/83/641439083.db2.gz VKDNWJSMGCKHHL-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO C[N@H+](CC(=O)Nc1c[nH]nn1)[C@@H]1CCSC1 ZINC000935596743 641440602 /nfs/dbraw/zinc/44/06/02/641440602.db2.gz RTKHUAPOPJXGGO-SSDOTTSWSA-N 1 2 241.320 0.181 20 0 BCADLO C[N@@H+](CC(=O)Nc1c[nH]nn1)[C@@H]1CCSC1 ZINC000935596743 641440604 /nfs/dbraw/zinc/44/06/04/641440604.db2.gz RTKHUAPOPJXGGO-SSDOTTSWSA-N 1 2 241.320 0.181 20 0 BCADLO CC(=O)CSCC(=O)NC12CC[NH+](CC1)C2 ZINC000913633265 641443524 /nfs/dbraw/zinc/44/35/24/641443524.db2.gz AYOONMQZZMNDBV-UHFFFAOYSA-N 1 2 242.344 0.273 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCn2ccnc21 ZINC000913670581 641453514 /nfs/dbraw/zinc/45/35/14/641453514.db2.gz AEEUHCSYQXHXPE-UHFFFAOYSA-N 1 2 243.270 0.737 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1CC2(CC2)C1 ZINC001030932332 641455950 /nfs/dbraw/zinc/45/59/50/641455950.db2.gz WNIHCYMRDWQVHP-UHFFFAOYSA-N 1 2 238.331 0.359 20 0 BCADLO COC(C)(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000913734811 641464247 /nfs/dbraw/zinc/46/42/47/641464247.db2.gz CIEGWMXHLGYXLG-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000913760939 641468340 /nfs/dbraw/zinc/46/83/40/641468340.db2.gz UJWGLDYEHQOEMF-CMPLNLGQSA-N 1 2 248.330 0.505 20 0 BCADLO C[C@@H]1C[C@@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913783828 641474902 /nfs/dbraw/zinc/47/49/02/641474902.db2.gz ULEQKOJIQYGYHZ-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@](O)(CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935766805 641479433 /nfs/dbraw/zinc/47/94/33/641479433.db2.gz LTKNHRINGMPVTC-GFCCVEGCSA-N 1 2 249.270 0.036 20 0 BCADLO C[C@@](O)(CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935766806 641479646 /nfs/dbraw/zinc/47/96/46/641479646.db2.gz LTKNHRINGMPVTC-LBPRGKRZSA-N 1 2 249.270 0.036 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935924290 641503207 /nfs/dbraw/zinc/50/32/07/641503207.db2.gz LCDVLVUTHCSJIG-JOYOIKCWSA-N 1 2 237.303 0.475 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923223 641503369 /nfs/dbraw/zinc/50/33/69/641503369.db2.gz AUYARQZHTUSKBI-KOLCDFICSA-N 1 2 237.303 0.475 20 0 BCADLO CC1(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)COC1 ZINC000935924986 641503438 /nfs/dbraw/zinc/50/34/38/641503438.db2.gz QVMKIYWLIGZNRY-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000936023951 641520528 /nfs/dbraw/zinc/52/05/28/641520528.db2.gz CJMKNLIZZWKCEX-JTQLQIEISA-N 1 2 211.265 0.197 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)O[C@@H]1CCOC1 ZINC000913926930 641523522 /nfs/dbraw/zinc/52/35/22/641523522.db2.gz QDVPXNQDTAUVDH-VHSXEESVSA-N 1 2 239.275 0.787 20 0 BCADLO O=C(N[C@@H]1COC(=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000936062922 641528603 /nfs/dbraw/zinc/52/86/03/641528603.db2.gz BZYDVBGXQBLRPN-QMMMGPOBSA-N 1 2 245.238 0.608 20 0 BCADLO Cc1nnn(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000914025545 641548868 /nfs/dbraw/zinc/54/88/68/641548868.db2.gz VNDKLFNSFBURHT-SSDOTTSWSA-N 1 2 248.290 0.567 20 0 BCADLO Cc1nnn(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000914025545 641548874 /nfs/dbraw/zinc/54/88/74/641548874.db2.gz VNDKLFNSFBURHT-SSDOTTSWSA-N 1 2 248.290 0.567 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ncc[nH]1 ZINC000493147531 641581269 /nfs/dbraw/zinc/58/12/69/641581269.db2.gz HYDNAIBAMCXPQV-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO CC[N@H+](CCC(C)=O)[C@@H](C)CS(C)(=O)=O ZINC000155802250 641583937 /nfs/dbraw/zinc/58/39/37/641583937.db2.gz NZBDULGLHGTSRG-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO CC[N@@H+](CCC(C)=O)[C@@H](C)CS(C)(=O)=O ZINC000155802250 641583944 /nfs/dbraw/zinc/58/39/44/641583944.db2.gz NZBDULGLHGTSRG-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO C/C(=C/C(=O)N1CC[C@H]1C)C[NH+]1CCOCC1 ZINC000914153227 641586019 /nfs/dbraw/zinc/58/60/19/641586019.db2.gz VLOORXNSKUXUEO-UCQJPZFISA-N 1 2 238.331 0.886 20 0 BCADLO CNc1cc(N[C@@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000156254455 641601296 /nfs/dbraw/zinc/60/12/96/641601296.db2.gz BYVQKSYPUACHCC-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO CNc1cc(N[C@@H]2CCC(=O)N(C)C2)[nH+]cn1 ZINC000156254455 641601299 /nfs/dbraw/zinc/60/12/99/641601299.db2.gz BYVQKSYPUACHCC-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccns1 ZINC000914288217 641633320 /nfs/dbraw/zinc/63/33/20/641633320.db2.gz CONPJASDFAXEOQ-UHFFFAOYSA-N 1 2 236.300 0.768 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001031044255 641639157 /nfs/dbraw/zinc/63/91/57/641639157.db2.gz RXUMSCXPLIXFOY-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccncn1 ZINC001031121175 641717858 /nfs/dbraw/zinc/71/78/58/641717858.db2.gz MAZBRJRWEFVYKS-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO CC[C@H](C)C[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC001031121903 641718103 /nfs/dbraw/zinc/71/81/03/641718103.db2.gz QRYMBOQDQFPGNW-QMMMGPOBSA-N 1 2 237.307 0.265 20 0 BCADLO CC[C@H](C)C[NH+]1CC(NC(=O)c2ncn[nH]2)C1 ZINC001031121903 641718106 /nfs/dbraw/zinc/71/81/06/641718106.db2.gz QRYMBOQDQFPGNW-QMMMGPOBSA-N 1 2 237.307 0.265 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CC=C(COC)CC1 ZINC000187692280 641719661 /nfs/dbraw/zinc/71/96/61/641719661.db2.gz BSIVHTCKMFCCEF-UHFFFAOYSA-N 1 2 247.360 0.700 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CC=C(COC)CC1 ZINC000187692280 641719669 /nfs/dbraw/zinc/71/96/69/641719669.db2.gz BSIVHTCKMFCCEF-UHFFFAOYSA-N 1 2 247.360 0.700 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccnc(C)c2)C1 ZINC001031127307 641723131 /nfs/dbraw/zinc/72/31/31/641723131.db2.gz XWXLTYHRNRTJRU-UHFFFAOYSA-N 1 2 249.314 0.450 20 0 BCADLO COCC[NH+]1CC(NC(=O)Cc2ccco2)C1 ZINC001031128179 641723908 /nfs/dbraw/zinc/72/39/08/641723908.db2.gz HBJMKGBYGLUJPF-UHFFFAOYSA-N 1 2 238.287 0.269 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001031132464 641726728 /nfs/dbraw/zinc/72/67/28/641726728.db2.gz CIUFHKQHKCTGTD-UHFFFAOYSA-N 1 2 220.276 0.301 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncccc2F)C1 ZINC001031141866 641731557 /nfs/dbraw/zinc/73/15/57/641731557.db2.gz BHPIGHBIZKWQMA-UHFFFAOYSA-N 1 2 223.251 0.655 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031147815 641737122 /nfs/dbraw/zinc/73/71/22/641737122.db2.gz ZGQNMRTUPWBBRV-KOLCDFICSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCOC2)C1 ZINC001031150618 641739970 /nfs/dbraw/zinc/73/99/70/641739970.db2.gz GRSPKRKGRYWHOE-LLVKDONJSA-N 1 2 212.293 0.233 20 0 BCADLO CCCNC(=S)NC[C@H](C)[NH+]1CCOCC1 ZINC000914705181 641755570 /nfs/dbraw/zinc/75/55/70/641755570.db2.gz MFFQDGHBQUKNAV-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C(C)C)nn2)C1 ZINC001031163983 641757482 /nfs/dbraw/zinc/75/74/82/641757482.db2.gz MWEJUGHEPXFPEC-UHFFFAOYSA-N 1 2 237.307 0.293 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031169217 641764917 /nfs/dbraw/zinc/76/49/17/641764917.db2.gz ADXPAYKWEZZECQ-QWRGUYRKSA-N 1 2 226.320 0.071 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031175650 641773812 /nfs/dbraw/zinc/77/38/12/641773812.db2.gz OLQOHRFGONBXSB-DGCLKSJQSA-N 1 2 240.347 0.605 20 0 BCADLO CC[N@H+](CC(=O)Nc1c[nH]nn1)C1CC1 ZINC000788166592 641791614 /nfs/dbraw/zinc/79/16/14/641791614.db2.gz ZRVAHMWWKFLCFV-UHFFFAOYSA-N 1 2 209.253 0.228 20 0 BCADLO CC[N@@H+](CC(=O)Nc1c[nH]nn1)C1CC1 ZINC000788166592 641791618 /nfs/dbraw/zinc/79/16/18/641791618.db2.gz ZRVAHMWWKFLCFV-UHFFFAOYSA-N 1 2 209.253 0.228 20 0 BCADLO CC(C)=CC[N@H+](C)CCS(C)(=O)=O ZINC000076307194 641805516 /nfs/dbraw/zinc/80/55/16/641805516.db2.gz KIHCFXZVZHFGDG-UHFFFAOYSA-N 1 2 205.323 0.929 20 0 BCADLO CC(C)=CC[N@@H+](C)CCS(C)(=O)=O ZINC000076307194 641805520 /nfs/dbraw/zinc/80/55/20/641805520.db2.gz KIHCFXZVZHFGDG-UHFFFAOYSA-N 1 2 205.323 0.929 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nocc2C)C1 ZINC001031209381 641818816 /nfs/dbraw/zinc/81/88/16/641818816.db2.gz FXUARKKFFNJEMO-UHFFFAOYSA-N 1 2 209.249 0.417 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001031213129 641820141 /nfs/dbraw/zinc/82/01/41/641820141.db2.gz QBYRIDMPZYZXNT-UHFFFAOYSA-N 1 2 248.330 0.727 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)C1CCCC1 ZINC001031237052 641836212 /nfs/dbraw/zinc/83/62/12/641836212.db2.gz QRSMSBCWRGPURX-SNVBAGLBSA-N 1 2 240.347 0.605 20 0 BCADLO CCC(=O)CC[N@H+](CCOC)CC(=O)N(C)C ZINC000190190161 641849468 /nfs/dbraw/zinc/84/94/68/641849468.db2.gz LBCGPODTPMHHLR-UHFFFAOYSA-N 1 2 244.335 0.392 20 0 BCADLO CCC(=O)CC[N@@H+](CCOC)CC(=O)N(C)C ZINC000190190161 641849470 /nfs/dbraw/zinc/84/94/70/641849470.db2.gz LBCGPODTPMHHLR-UHFFFAOYSA-N 1 2 244.335 0.392 20 0 BCADLO CCC(=O)CC[NH+]1CCN(CC(C)(C)O)CC1 ZINC000190213061 641850776 /nfs/dbraw/zinc/85/07/76/641850776.db2.gz OJUXPFMNKAHDER-UHFFFAOYSA-N 1 2 242.363 0.744 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000190274164 641856038 /nfs/dbraw/zinc/85/60/38/641856038.db2.gz SERSAFBOLRHPHG-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000190274164 641856043 /nfs/dbraw/zinc/85/60/43/641856043.db2.gz SERSAFBOLRHPHG-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO CCN(C(=O)c1cncnc1C)C1C[NH+](CC)C1 ZINC000949723371 641856682 /nfs/dbraw/zinc/85/66/82/641856682.db2.gz NXGUSOMECJQQIV-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190343657 641860064 /nfs/dbraw/zinc/86/00/64/641860064.db2.gz GVLKWWUCSWZGJX-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190343657 641860066 /nfs/dbraw/zinc/86/00/66/641860066.db2.gz GVLKWWUCSWZGJX-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CC[C@@]1(C)C[N@H+](Cn2cnnc2)CCO1 ZINC000190353922 641860787 /nfs/dbraw/zinc/86/07/87/641860787.db2.gz GPVCCLMVRUBCPJ-JTQLQIEISA-N 1 2 210.281 0.737 20 0 BCADLO CC[C@@]1(C)C[N@@H+](Cn2cnnc2)CCO1 ZINC000190353922 641860791 /nfs/dbraw/zinc/86/07/91/641860791.db2.gz GPVCCLMVRUBCPJ-JTQLQIEISA-N 1 2 210.281 0.737 20 0 BCADLO CCN(C(=O)c1nccnc1N)C1C[NH+](CC)C1 ZINC000949809068 641863377 /nfs/dbraw/zinc/86/33/77/641863377.db2.gz YPABVYUHRPUQDA-UHFFFAOYSA-N 1 2 249.318 0.225 20 0 BCADLO CC[NH+]1CC(NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001031261072 641867610 /nfs/dbraw/zinc/86/76/10/641867610.db2.gz QGKRTUANQLLORG-UHFFFAOYSA-N 1 2 236.319 0.508 20 0 BCADLO CCN(C(=O)C1=CCCC1)C1C[NH+](CCO)C1 ZINC000949874125 641868065 /nfs/dbraw/zinc/86/80/65/641868065.db2.gz BTXNZGAUXRMESM-UHFFFAOYSA-N 1 2 238.331 0.622 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1n[nH]cc1F ZINC001015664909 641870309 /nfs/dbraw/zinc/87/03/09/641870309.db2.gz DMBQWYUALQNXHE-SSDOTTSWSA-N 1 2 244.245 0.322 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1n[nH]cc1F ZINC001015664909 641870314 /nfs/dbraw/zinc/87/03/14/641870314.db2.gz DMBQWYUALQNXHE-SSDOTTSWSA-N 1 2 244.245 0.322 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292388 641874443 /nfs/dbraw/zinc/87/44/43/641874443.db2.gz NNOBFLIRIXITQP-SECBINFHSA-N 1 2 228.336 0.868 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cc1 ZINC001031300455 641874873 /nfs/dbraw/zinc/87/48/73/641874873.db2.gz IUHWDIATAZRJCY-NSHDSACASA-N 1 2 248.326 0.790 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncccc2OC)C1 ZINC001031310656 641894437 /nfs/dbraw/zinc/89/44/37/641894437.db2.gz FXAXINDIPWXFAR-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](CF)C1 ZINC000916107119 641901070 /nfs/dbraw/zinc/90/10/70/641901070.db2.gz SVRSVXQXSGHVDH-VIFPVBQESA-N 1 2 211.240 0.701 20 0 BCADLO CC[N@H+](CCC(C)=O)CCS(C)(=O)=O ZINC000153953462 641931027 /nfs/dbraw/zinc/93/10/27/641931027.db2.gz FIXCTGIZRVYRHO-UHFFFAOYSA-N 1 2 221.322 0.332 20 0 BCADLO CC[N@@H+](CCC(C)=O)CCS(C)(=O)=O ZINC000153953462 641931030 /nfs/dbraw/zinc/93/10/30/641931030.db2.gz FIXCTGIZRVYRHO-UHFFFAOYSA-N 1 2 221.322 0.332 20 0 BCADLO CCOC(C[N@@H+]1C[C@H](C)O[C@H](CO)C1)OCC ZINC000191723388 641941131 /nfs/dbraw/zinc/94/11/31/641941131.db2.gz PHPIMICGBBHLAH-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@H](C)O[C@H](CO)C1)OCC ZINC000191723388 641941143 /nfs/dbraw/zinc/94/11/43/641941143.db2.gz PHPIMICGBBHLAH-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO CCn1cc(C[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000925430129 641963725 /nfs/dbraw/zinc/96/37/25/641963725.db2.gz SEBHACIFXIUTAF-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1C ZINC001031342821 641981057 /nfs/dbraw/zinc/98/10/57/641981057.db2.gz VMGATKWWSMXTSX-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c[nH]cc2C)C1 ZINC001031382609 642041957 /nfs/dbraw/zinc/04/19/57/642041957.db2.gz ZRUIQHMUXCJWCL-UHFFFAOYSA-N 1 2 207.277 0.757 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1CCC=CCC1 ZINC001031402660 642078989 /nfs/dbraw/zinc/07/89/89/642078989.db2.gz MCGFITXLGFAOSA-UHFFFAOYSA-N 1 2 238.331 0.526 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccn[nH]1 ZINC000335447050 711516960 /nfs/dbraw/zinc/51/69/60/711516960.db2.gz DTFNZIHYMWQMOV-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccn[nH]1 ZINC000335447050 711516963 /nfs/dbraw/zinc/51/69/63/711516963.db2.gz DTFNZIHYMWQMOV-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031526461 642275369 /nfs/dbraw/zinc/27/53/69/642275369.db2.gz AKSUSHDEXXDLHZ-SCZZXKLOSA-N 1 2 214.284 0.660 20 0 BCADLO Cc1cc(C(=O)NCC2C[NH+](CCF)C2)no1 ZINC001031535962 642280182 /nfs/dbraw/zinc/28/01/82/642280182.db2.gz BDACLVNILLRHQS-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO Cc1cc(C(=O)NCC2C[NH+](CCF)C2)on1 ZINC001031539044 642284514 /nfs/dbraw/zinc/28/45/14/642284514.db2.gz SVTGRWARJJUJBE-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccc[nH]1 ZINC001031544740 642290469 /nfs/dbraw/zinc/29/04/69/642290469.db2.gz QVXSNKRULGYSPI-UHFFFAOYSA-N 1 2 225.267 0.646 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031566989 642315165 /nfs/dbraw/zinc/31/51/65/642315165.db2.gz WXRSCIPWXPEECV-QWRGUYRKSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCCOC1 ZINC001031578115 642331466 /nfs/dbraw/zinc/33/14/66/642331466.db2.gz UFIBMPXOOZHQTN-LLVKDONJSA-N 1 2 244.310 0.431 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933216414 642395862 /nfs/dbraw/zinc/39/58/62/642395862.db2.gz WOQQIDDCNRAVGG-LBPRGKRZSA-N 1 2 236.319 0.848 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933216414 642395866 /nfs/dbraw/zinc/39/58/66/642395866.db2.gz WOQQIDDCNRAVGG-LBPRGKRZSA-N 1 2 236.319 0.848 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cncnc1 ZINC001031629967 642413004 /nfs/dbraw/zinc/41/30/04/642413004.db2.gz SJYBGCYECQWAPD-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO CC(C)C[C@H]1CN(C)CC[N@@H+]1CC(N)=O ZINC000933248353 642414695 /nfs/dbraw/zinc/41/46/95/642414695.db2.gz UFIIJFBZDMUPMP-JTQLQIEISA-N 1 2 213.325 0.134 20 0 BCADLO CC(C)C[C@H]1CN(C)CC[N@H+]1CC(N)=O ZINC000933248353 642414699 /nfs/dbraw/zinc/41/46/99/642414699.db2.gz UFIIJFBZDMUPMP-JTQLQIEISA-N 1 2 213.325 0.134 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](CC)CCOC ZINC000920206521 642449319 /nfs/dbraw/zinc/44/93/19/642449319.db2.gz LVERHHBDKODKOI-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](CC)CCOC ZINC000920206521 642449324 /nfs/dbraw/zinc/44/93/24/642449324.db2.gz LVERHHBDKODKOI-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO Cc1ncc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000628120240 642470388 /nfs/dbraw/zinc/47/03/88/642470388.db2.gz DRGUXDXTDGKQAA-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1ncc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000628120240 642470396 /nfs/dbraw/zinc/47/03/96/642470396.db2.gz DRGUXDXTDGKQAA-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1c[nH]nc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031659940 642500516 /nfs/dbraw/zinc/50/05/16/642500516.db2.gz XSEXTXRRJQTSDS-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)N1CCCCC1 ZINC000921415961 642615495 /nfs/dbraw/zinc/61/54/95/642615495.db2.gz XOXZPLPCSXDEHL-JTQLQIEISA-N 1 2 247.364 0.011 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)N1CCCCC1 ZINC000921415961 642615499 /nfs/dbraw/zinc/61/54/99/642615499.db2.gz XOXZPLPCSXDEHL-JTQLQIEISA-N 1 2 247.364 0.011 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)OC ZINC000921436557 642623495 /nfs/dbraw/zinc/62/34/95/642623495.db2.gz XADHQBOYJRUWNT-VIFPVBQESA-N 1 2 216.281 0.453 20 0 BCADLO CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960341520 642660052 /nfs/dbraw/zinc/66/00/52/642660052.db2.gz DMFNGEXKWKQFMW-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncccn1 ZINC000960341520 642660060 /nfs/dbraw/zinc/66/00/60/642660060.db2.gz DMFNGEXKWKQFMW-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000965965120 642776997 /nfs/dbraw/zinc/77/69/97/642776997.db2.gz IFXLUYOSACSONV-MRVPVSSYSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001009788394 642839014 /nfs/dbraw/zinc/83/90/14/642839014.db2.gz UCKGFQVQSYKMTN-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001009788394 642839016 /nfs/dbraw/zinc/83/90/16/642839016.db2.gz UCKGFQVQSYKMTN-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cccnc1 ZINC001009917004 642847120 /nfs/dbraw/zinc/84/71/20/642847120.db2.gz YUVXQVNIWQOMMP-NSHDSACASA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cccnc1 ZINC001009917004 642847124 /nfs/dbraw/zinc/84/71/24/642847124.db2.gz YUVXQVNIWQOMMP-NSHDSACASA-N 1 2 237.278 0.855 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)no1 ZINC001010072051 642848216 /nfs/dbraw/zinc/84/82/16/642848216.db2.gz AUPRGMRIAWMFRI-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)no1 ZINC001010072051 642848213 /nfs/dbraw/zinc/84/82/13/642848213.db2.gz AUPRGMRIAWMFRI-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCCO1 ZINC001010639559 642869918 /nfs/dbraw/zinc/86/99/18/642869918.db2.gz MWKOSKWTVVGIIX-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCCCO1 ZINC001010639559 642869924 /nfs/dbraw/zinc/86/99/24/642869924.db2.gz MWKOSKWTVVGIIX-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ncccn1 ZINC001015888034 642940283 /nfs/dbraw/zinc/94/02/83/642940283.db2.gz UGWAWLHIVQGKRI-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ncccn1 ZINC001015888034 642940292 /nfs/dbraw/zinc/94/02/92/642940292.db2.gz UGWAWLHIVQGKRI-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CN1CC(=O)N(C)C1=O ZINC000182283925 642993543 /nfs/dbraw/zinc/99/35/43/642993543.db2.gz BUCGBTFOHPYJGD-MRVPVSSYSA-N 1 2 243.332 0.275 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CN1CC(=O)N(C)C1=O ZINC000182283925 642993550 /nfs/dbraw/zinc/99/35/50/642993550.db2.gz BUCGBTFOHPYJGD-MRVPVSSYSA-N 1 2 243.332 0.275 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)CC(C)(C)O1 ZINC000182575183 643035961 /nfs/dbraw/zinc/03/59/61/643035961.db2.gz IQIOBJALHRJXSJ-SECBINFHSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)CC(C)(C)O1 ZINC000182575183 643035967 /nfs/dbraw/zinc/03/59/67/643035967.db2.gz IQIOBJALHRJXSJ-SECBINFHSA-N 1 2 210.281 0.735 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000941691952 643116489 /nfs/dbraw/zinc/11/64/89/643116489.db2.gz XTKYVYZSXOHLPF-CMPLNLGQSA-N 1 2 248.330 0.823 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000941691952 643116495 /nfs/dbraw/zinc/11/64/95/643116495.db2.gz XTKYVYZSXOHLPF-CMPLNLGQSA-N 1 2 248.330 0.823 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000941691955 643116755 /nfs/dbraw/zinc/11/67/55/643116755.db2.gz XTKYVYZSXOHLPF-PWSUYJOCSA-N 1 2 248.330 0.823 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000941691955 643116766 /nfs/dbraw/zinc/11/67/66/643116766.db2.gz XTKYVYZSXOHLPF-PWSUYJOCSA-N 1 2 248.330 0.823 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)C1C[NH+](CCF)C1 ZINC000969396571 643165617 /nfs/dbraw/zinc/16/56/17/643165617.db2.gz UBWDDLOVNPUWFD-MRVPVSSYSA-N 1 2 241.266 0.694 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032073312 643232004 /nfs/dbraw/zinc/23/20/04/643232004.db2.gz AUPDSYYFYGWHQT-GXSJLCMTSA-N 1 2 244.310 0.429 20 0 BCADLO C=C(Cl)CNC(=O)NCCn1cc[nH+]c1 ZINC000077536121 643267395 /nfs/dbraw/zinc/26/73/95/643267395.db2.gz BGGDWPWLPZTHMA-UHFFFAOYSA-N 1 2 228.683 0.935 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cnsn1 ZINC000082269761 643290011 /nfs/dbraw/zinc/29/00/11/643290011.db2.gz JRBBTEIAJSYDEO-UHFFFAOYSA-N 1 2 237.288 0.555 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093531393 643338896 /nfs/dbraw/zinc/33/88/96/643338896.db2.gz YUXMBUPNXPEWBW-JTQLQIEISA-N 1 2 244.316 0.403 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093531393 643338901 /nfs/dbraw/zinc/33/89/01/643338901.db2.gz YUXMBUPNXPEWBW-JTQLQIEISA-N 1 2 244.316 0.403 20 0 BCADLO CCCCOC(=O)C[N@H+](CC)CCO ZINC000049754448 643355463 /nfs/dbraw/zinc/35/54/63/643355463.db2.gz HDLPYYNFYJUMNA-UHFFFAOYSA-N 1 2 203.282 0.644 20 0 BCADLO CCCCOC(=O)C[N@@H+](CC)CCO ZINC000049754448 643355468 /nfs/dbraw/zinc/35/54/68/643355468.db2.gz HDLPYYNFYJUMNA-UHFFFAOYSA-N 1 2 203.282 0.644 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000932644331 643386952 /nfs/dbraw/zinc/38/69/52/643386952.db2.gz JAXYEJUSPCFVLV-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000932644331 643386953 /nfs/dbraw/zinc/38/69/53/643386953.db2.gz JAXYEJUSPCFVLV-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)o1 ZINC001032240382 643390158 /nfs/dbraw/zinc/39/01/58/643390158.db2.gz PBEFTMHEGUOSQE-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)o1 ZINC001032240382 643390160 /nfs/dbraw/zinc/39/01/60/643390160.db2.gz PBEFTMHEGUOSQE-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO C[C@H](NC(=O)c1cnco1)C1C[NH+](CCF)C1 ZINC000970231095 643403150 /nfs/dbraw/zinc/40/31/50/643403150.db2.gz IHTJZZVOKBRURH-QMMMGPOBSA-N 1 2 241.266 0.694 20 0 BCADLO CC[S@@](=O)CCNc1nc[nH+]c(N)c1Cl ZINC000234104957 643483485 /nfs/dbraw/zinc/48/34/85/643483485.db2.gz BGHNQFJSOGZUPI-OAHLLOKOSA-N 1 2 248.739 0.893 20 0 BCADLO C=CCNC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000044138956 643539927 /nfs/dbraw/zinc/53/99/27/643539927.db2.gz GMUREDNYXFXBSQ-SECBINFHSA-N 1 2 224.333 0.922 20 0 BCADLO Cc1nonc1CNC(=O)CCCn1cc[nH+]c1 ZINC000736138796 643579119 /nfs/dbraw/zinc/57/91/19/643579119.db2.gz FPAHGMPDFMFHBJ-UHFFFAOYSA-N 1 2 249.274 0.671 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000083604655 643596159 /nfs/dbraw/zinc/59/61/59/643596159.db2.gz CWNFNGCFUMCVDU-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000083604655 643596166 /nfs/dbraw/zinc/59/61/66/643596166.db2.gz CWNFNGCFUMCVDU-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO CONC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000083643663 643603097 /nfs/dbraw/zinc/60/30/97/643603097.db2.gz UPMXBSGDVMVBDW-SNVBAGLBSA-N 1 2 206.245 0.551 20 0 BCADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000771998065 643622177 /nfs/dbraw/zinc/62/21/77/643622177.db2.gz ZXMXKLWESXIBGB-SNVBAGLBSA-N 1 2 248.286 0.964 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)nn2)C1 ZINC000084378986 643660621 /nfs/dbraw/zinc/66/06/21/643660621.db2.gz RSZNQNNORLGYAJ-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ccc(Cl)nn2)C1 ZINC000084378986 643660627 /nfs/dbraw/zinc/66/06/27/643660627.db2.gz RSZNQNNORLGYAJ-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+](C)CC(=O)NC(C)C ZINC000929229500 643750763 /nfs/dbraw/zinc/75/07/63/643750763.db2.gz KSIIKCCUNOTFDM-UXBLZVDNSA-N 1 2 242.319 0.562 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+](C)CC(=O)NC(C)C ZINC000929229500 643750766 /nfs/dbraw/zinc/75/07/66/643750766.db2.gz KSIIKCCUNOTFDM-UXBLZVDNSA-N 1 2 242.319 0.562 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000922007960 643844011 /nfs/dbraw/zinc/84/40/11/643844011.db2.gz ZCNIBTKPMHFGEV-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000188686088 643901317 /nfs/dbraw/zinc/90/13/17/643901317.db2.gz DHXHIPHMTNGZKD-UHFFFAOYSA-N 1 2 249.318 0.281 20 0 BCADLO C[C@H]1Cn2nccc2N(C(=O)Cn2cc[nH+]c2)C1 ZINC000922202248 643902853 /nfs/dbraw/zinc/90/28/53/643902853.db2.gz MXCPNFIKXZTVBC-SNVBAGLBSA-N 1 2 245.286 0.763 20 0 BCADLO C[C@@H]1Cn2nccc2N(C(=O)Cc2c[nH]c[nH+]2)C1 ZINC000922211021 643904716 /nfs/dbraw/zinc/90/47/16/643904716.db2.gz SQDYSRABCUYYSC-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO Cc1cnn([C@H]2[C@H]([NH2+]Cc3c[nH]cn3)C[C@@H]2O)c1 ZINC000922252201 643922964 /nfs/dbraw/zinc/92/29/64/643922964.db2.gz CVLZNUOXROZKBE-WOPDTQHZSA-N 1 2 247.302 0.379 20 0 BCADLO CO[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922373689 643981715 /nfs/dbraw/zinc/98/17/15/643981715.db2.gz KREZPRQBGKDYPO-ZETCQYMHSA-N 1 2 210.233 0.742 20 0 BCADLO Nc1ccc(COC(=O)C2(O)CCC2)c[nH+]1 ZINC000922375972 643981749 /nfs/dbraw/zinc/98/17/49/643981749.db2.gz CJMYQTKHWMIHEC-UHFFFAOYSA-N 1 2 222.244 0.622 20 0 BCADLO COC[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922416265 643990224 /nfs/dbraw/zinc/99/02/24/643990224.db2.gz SHTKWGSDVYTURX-MRVPVSSYSA-N 1 2 224.260 0.990 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000922490523 644002662 /nfs/dbraw/zinc/00/26/62/644002662.db2.gz QGPNZLUWNWXKCT-UWVGGRQHSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1ccc(COC(=O)CC2(CO)CC2)c[nH+]1 ZINC000922525355 644014821 /nfs/dbraw/zinc/01/48/21/644014821.db2.gz BGMPXVRYLVHFTP-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO Nc1[nH+]cccc1COC(=O)COC(F)F ZINC000922721061 644076936 /nfs/dbraw/zinc/07/69/36/644076936.db2.gz OOHYBKQPDZHVHT-UHFFFAOYSA-N 1 2 232.186 0.946 20 0 BCADLO CCn1nncc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922768972 644089429 /nfs/dbraw/zinc/08/94/29/644089429.db2.gz DKRRGQPWINDNDW-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000929327199 644140890 /nfs/dbraw/zinc/14/08/90/644140890.db2.gz DQBVZGKTRDMNBD-SNVBAGLBSA-N 1 2 224.260 0.874 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000929327199 644140896 /nfs/dbraw/zinc/14/08/96/644140896.db2.gz DQBVZGKTRDMNBD-SNVBAGLBSA-N 1 2 224.260 0.874 20 0 BCADLO Cc1nc(N2C[C@H]3COC[C@@]3(C)C2)nc(N)[nH+]1 ZINC000631362101 644155705 /nfs/dbraw/zinc/15/57/05/644155705.db2.gz UTBSUHBUQFRTJP-GZMMTYOYSA-N 1 2 235.291 0.235 20 0 BCADLO CCOC(C[N@@H+]1CCN(C)C(=O)[C@H]1C)OCC ZINC000187039157 644190982 /nfs/dbraw/zinc/19/09/82/644190982.db2.gz YDVHHIPJWMQBEB-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@H+]1CCN(C)C(=O)[C@H]1C)OCC ZINC000187039157 644190986 /nfs/dbraw/zinc/19/09/86/644190986.db2.gz YDVHHIPJWMQBEB-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO Nc1ccc(COC(=O)COC2CC2)c[nH+]1 ZINC000922934797 644193161 /nfs/dbraw/zinc/19/31/61/644193161.db2.gz VDDAUPZDFJNLEO-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO CCOCCOCC[NH2+]Cc1cn[nH]c1C ZINC000922940901 644193845 /nfs/dbraw/zinc/19/38/45/644193845.db2.gz HTBOWLRNOMWPBM-UHFFFAOYSA-N 1 2 227.308 0.861 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c[nH+]1 ZINC000923570531 644507280 /nfs/dbraw/zinc/50/72/80/644507280.db2.gz KCNGXTRULHQJCW-KPXOXKRLSA-N 1 2 246.266 0.932 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016425759 644531355 /nfs/dbraw/zinc/53/13/55/644531355.db2.gz ZXPHCDRVWQSIGE-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016425759 644531358 /nfs/dbraw/zinc/53/13/58/644531358.db2.gz ZXPHCDRVWQSIGE-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CCS1 ZINC000246075780 644561697 /nfs/dbraw/zinc/56/16/97/644561697.db2.gz CSCUIVRSHMQOFB-SFYZADRCSA-N 1 2 201.291 0.739 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CCS1 ZINC000246075780 644561705 /nfs/dbraw/zinc/56/17/05/644561705.db2.gz CSCUIVRSHMQOFB-SFYZADRCSA-N 1 2 201.291 0.739 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(C)o1 ZINC000092735492 644665959 /nfs/dbraw/zinc/66/59/59/644665959.db2.gz JGZKAVMZYVRNSN-NSHDSACASA-N 1 2 238.287 0.583 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(C)o1 ZINC000092735492 644665964 /nfs/dbraw/zinc/66/59/64/644665964.db2.gz JGZKAVMZYVRNSN-NSHDSACASA-N 1 2 238.287 0.583 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CC[C@@H](C)O1 ZINC000248907769 644703857 /nfs/dbraw/zinc/70/38/57/644703857.db2.gz MFRVYAAXFJIAQH-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CC[C@@H](C)O1 ZINC000248907769 644703864 /nfs/dbraw/zinc/70/38/64/644703864.db2.gz MFRVYAAXFJIAQH-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)COC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248897218 644704106 /nfs/dbraw/zinc/70/41/06/644704106.db2.gz GQMQKTAHHJHFHD-MNOVXSKESA-N 1 2 247.335 0.249 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248897218 644704116 /nfs/dbraw/zinc/70/41/16/644704116.db2.gz GQMQKTAHHJHFHD-MNOVXSKESA-N 1 2 247.335 0.249 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1[nH]c[nH+]c1C ZINC000779804716 644716779 /nfs/dbraw/zinc/71/67/79/644716779.db2.gz XQSAGUAFFNWEDJ-QMMMGPOBSA-N 1 2 211.265 0.353 20 0 BCADLO CC[C@H](CO)C(=O)NCc1[nH]c[nH+]c1C ZINC000779804715 644717391 /nfs/dbraw/zinc/71/73/91/644717391.db2.gz XQSAGUAFFNWEDJ-MRVPVSSYSA-N 1 2 211.265 0.353 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCS[C@H](C)C2)C1 ZINC000249291116 644719570 /nfs/dbraw/zinc/71/95/70/644719570.db2.gz MJRFYQDEBVRVDR-ZJUUUORDSA-N 1 2 244.360 0.629 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2CCS[C@H](C)C2)C1 ZINC000249291116 644719574 /nfs/dbraw/zinc/71/95/74/644719574.db2.gz MJRFYQDEBVRVDR-ZJUUUORDSA-N 1 2 244.360 0.629 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249583851 644727429 /nfs/dbraw/zinc/72/74/29/644727429.db2.gz SDVSCNMBXBWGPB-GHMZBOCLSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249583851 644727432 /nfs/dbraw/zinc/72/74/32/644727432.db2.gz SDVSCNMBXBWGPB-GHMZBOCLSA-N 1 2 229.320 0.888 20 0 BCADLO O=C(CCn1ccnn1)OCCCn1cc[nH+]c1 ZINC000782658844 644747327 /nfs/dbraw/zinc/74/73/27/644747327.db2.gz DXTNHYWHVJTECH-UHFFFAOYSA-N 1 2 249.274 0.498 20 0 BCADLO NC(=O)OCCNC(=O)c1cccc2[nH+]ccn21 ZINC000783670099 644759540 /nfs/dbraw/zinc/75/95/40/644759540.db2.gz ZKKJKUHLLSFHME-UHFFFAOYSA-N 1 2 248.242 0.573 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=O ZINC000784017664 644760223 /nfs/dbraw/zinc/76/02/23/644760223.db2.gz YJWWORVUEDIJPI-LLVKDONJSA-N 1 2 236.319 0.827 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=O ZINC000784017664 644760235 /nfs/dbraw/zinc/76/02/35/644760235.db2.gz YJWWORVUEDIJPI-LLVKDONJSA-N 1 2 236.319 0.827 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC000957995678 644767828 /nfs/dbraw/zinc/76/78/28/644767828.db2.gz HISRKEGYCRHOFZ-YJQGPUDQSA-N 1 2 246.314 0.604 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC000957995678 644767832 /nfs/dbraw/zinc/76/78/32/644767832.db2.gz HISRKEGYCRHOFZ-YJQGPUDQSA-N 1 2 246.314 0.604 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC000957997804 644768038 /nfs/dbraw/zinc/76/80/38/644768038.db2.gz XVNDCTIBDWUHGB-BOWGKDCGSA-N 1 2 249.318 0.240 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC000957997804 644768043 /nfs/dbraw/zinc/76/80/43/644768043.db2.gz XVNDCTIBDWUHGB-BOWGKDCGSA-N 1 2 249.318 0.240 20 0 BCADLO CNC(=O)C1([NH2+]Cc2ncccn2)CCCC1 ZINC000792247832 644795916 /nfs/dbraw/zinc/79/59/16/644795916.db2.gz FORDOUPAUHJZHQ-UHFFFAOYSA-N 1 2 234.303 0.625 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1(C)COC1 ZINC000793238520 644801617 /nfs/dbraw/zinc/80/16/17/644801617.db2.gz PCRQDWTZCHUZEM-UHFFFAOYSA-N 1 2 224.260 0.542 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000251959373 644831737 /nfs/dbraw/zinc/83/17/37/644831737.db2.gz VMONTJKZOKNYCV-GUBZILKMSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303798058 644847384 /nfs/dbraw/zinc/84/73/84/644847384.db2.gz PKUWMDVEJJNCEY-JTQLQIEISA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303798058 644847387 /nfs/dbraw/zinc/84/73/87/644847387.db2.gz PKUWMDVEJJNCEY-JTQLQIEISA-N 1 2 225.292 0.971 20 0 BCADLO C[C@H]1CN(C(=O)C(=O)c2cccn2C)CC[N@@H+]1C ZINC000806936946 644856300 /nfs/dbraw/zinc/85/63/00/644856300.db2.gz HEGIAKABUCLNAS-JTQLQIEISA-N 1 2 249.314 0.370 20 0 BCADLO C[C@H]1CN(C(=O)C(=O)c2cccn2C)CC[N@H+]1C ZINC000806936946 644856306 /nfs/dbraw/zinc/85/63/06/644856306.db2.gz HEGIAKABUCLNAS-JTQLQIEISA-N 1 2 249.314 0.370 20 0 BCADLO Cc1nc(NCCCCCCO)nc(N)[nH+]1 ZINC000304398844 644901645 /nfs/dbraw/zinc/90/16/45/644901645.db2.gz ALGVJINONUOUIA-UHFFFAOYSA-N 1 2 225.296 0.727 20 0 BCADLO Cc1nc(N)nc(NCCCCCCO)[nH+]1 ZINC000304398844 644901649 /nfs/dbraw/zinc/90/16/49/644901649.db2.gz ALGVJINONUOUIA-UHFFFAOYSA-N 1 2 225.296 0.727 20 0 BCADLO Cc1cc(CNC(=O)c2cnn(C)n2)cc(C)[nH+]1 ZINC000817458664 644984118 /nfs/dbraw/zinc/98/41/18/644984118.db2.gz ITNOCKLJRZDTSA-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO C[C@@H]1CN=C(NC(=O)CCn2cc[nH+]c2)S1 ZINC000819773796 645017107 /nfs/dbraw/zinc/01/71/07/645017107.db2.gz VBARKJBAPKWILJ-MRVPVSSYSA-N 1 2 238.316 0.881 20 0 BCADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Cn1cccn1 ZINC000822291559 645041742 /nfs/dbraw/zinc/04/17/42/645041742.db2.gz SHHHTHCOMAEBJP-SNVBAGLBSA-N 1 2 247.302 0.601 20 0 BCADLO CS[C@H](CO)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830379732 645123573 /nfs/dbraw/zinc/12/35/73/645123573.db2.gz FAOCNDIKYIEORN-HTQZYQBOSA-N 1 2 243.332 0.181 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@H](O)C(C)(C)C ZINC000837681927 645203200 /nfs/dbraw/zinc/20/32/00/645203200.db2.gz RAAAOMCZDFFRCV-SNVBAGLBSA-N 1 2 240.303 0.913 20 0 BCADLO CCN1C[C@@H]([NH2+][C@H](C)c2cnn(C)n2)CC1=O ZINC000926526643 645254524 /nfs/dbraw/zinc/25/45/24/645254524.db2.gz NHAULMIMFCVXSW-BDAKNGLRSA-N 1 2 237.307 0.087 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)c1ncco1)C(=O)NC ZINC000926548808 645259932 /nfs/dbraw/zinc/25/99/32/645259932.db2.gz CRDQGZILIOXPQS-YUMQZZPRSA-N 1 2 211.265 0.850 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)C(=O)NC ZINC000926553919 645275297 /nfs/dbraw/zinc/27/52/97/645275297.db2.gz ZKMACFDXQCJEQG-XHNCKOQMSA-N 1 2 237.307 0.398 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)C(=O)NC ZINC000926553916 645277205 /nfs/dbraw/zinc/27/72/05/645277205.db2.gz ZKMACFDXQCJEQG-VGMNWLOBSA-N 1 2 237.307 0.398 20 0 BCADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)OC ZINC000844384326 645323531 /nfs/dbraw/zinc/32/35/31/645323531.db2.gz FLQRLDDIJFUGBF-SNVBAGLBSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)OC ZINC000844384326 645323535 /nfs/dbraw/zinc/32/35/35/645323535.db2.gz FLQRLDDIJFUGBF-SNVBAGLBSA-N 1 2 244.335 0.896 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926636519 645325261 /nfs/dbraw/zinc/32/52/61/645325261.db2.gz FRHYJJLLLQBTOA-AXTSPUMRSA-N 1 2 238.291 0.287 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c(=O)n1C ZINC000844693637 645344931 /nfs/dbraw/zinc/34/49/31/645344931.db2.gz GFUAIIMSENMNNT-RKDXNWHRSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(=O)n1C ZINC000844693637 645344938 /nfs/dbraw/zinc/34/49/38/645344938.db2.gz GFUAIIMSENMNNT-RKDXNWHRSA-N 1 2 224.308 0.578 20 0 BCADLO COC/C(C)=C\C(=O)NCCCn1cc[nH+]c1 ZINC000845071385 645353821 /nfs/dbraw/zinc/35/38/21/645353821.db2.gz TWBKDBGWTYIZIT-FLIBITNWSA-N 1 2 237.303 0.982 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)n1 ZINC000926693231 645362855 /nfs/dbraw/zinc/36/28/55/645362855.db2.gz KVOXQWJOUCCHPB-XHNCKOQMSA-N 1 2 240.307 0.464 20 0 BCADLO C[C@H](CC(=O)OCc1cn[nH]n1)n1cc[nH+]c1 ZINC000845563770 645367823 /nfs/dbraw/zinc/36/78/23/645367823.db2.gz IPGPNVJNLKTHSN-MRVPVSSYSA-N 1 2 235.247 0.696 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000926779517 645427338 /nfs/dbraw/zinc/42/73/38/645427338.db2.gz SZXZIVVQRZMFKL-SFGNSQDASA-N 1 2 240.307 0.017 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](O)c1ccnn1C ZINC000927137766 645565713 /nfs/dbraw/zinc/56/57/13/645565713.db2.gz XODVUNVHJKPPOR-PELKAZGASA-N 1 2 249.318 0.836 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC2 ZINC000857507850 645582555 /nfs/dbraw/zinc/58/25/55/645582555.db2.gz UTQFZEZVXSAILZ-SECBINFHSA-N 1 2 205.261 0.836 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC1(O)CCC1 ZINC000857507247 645583025 /nfs/dbraw/zinc/58/30/25/645583025.db2.gz NFTATEIHXUVQSP-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO CC(C)OCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000857534237 645601335 /nfs/dbraw/zinc/60/13/35/645601335.db2.gz BZUPRFZULNBKEM-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CCc1cc(C(=O)NCc2ccc(N)[nH+]c2)[nH]n1 ZINC000927778432 645654404 /nfs/dbraw/zinc/65/44/04/645654404.db2.gz JIHXXMPMKZBEMW-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO CCn1cc(C(=O)NCc2ccc(N)[nH+]c2)cn1 ZINC000927777256 645654701 /nfs/dbraw/zinc/65/47/01/645654701.db2.gz TVBAWUXEMRNHAV-UHFFFAOYSA-N 1 2 245.286 0.810 20 0 BCADLO CO[C@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000927777233 645655906 /nfs/dbraw/zinc/65/59/06/645655906.db2.gz STNCBFDUIBGNIK-MRVPVSSYSA-N 1 2 223.276 0.705 20 0 BCADLO COC/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000865676258 645721009 /nfs/dbraw/zinc/72/10/09/645721009.db2.gz GDPANWGKTSXFCO-NSCUHMNNSA-N 1 2 209.249 0.271 20 0 BCADLO COC/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000865676257 645721547 /nfs/dbraw/zinc/72/15/47/645721547.db2.gz GDPANWGKTSXFCO-IHWYPQMZSA-N 1 2 209.249 0.271 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000928541207 645798127 /nfs/dbraw/zinc/79/81/27/645798127.db2.gz FDEHXLVEJBKQFD-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C=O)c[nH]1 ZINC000928553632 645810949 /nfs/dbraw/zinc/81/09/49/645810949.db2.gz HKYKZSAGFCUNCZ-VIFPVBQESA-N 1 2 221.260 0.261 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1cc(C=O)c[nH]1 ZINC000928553632 645810955 /nfs/dbraw/zinc/81/09/55/645810955.db2.gz HKYKZSAGFCUNCZ-VIFPVBQESA-N 1 2 221.260 0.261 20 0 BCADLO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555009 645811667 /nfs/dbraw/zinc/81/16/67/645811667.db2.gz MXFLNDRARMSOGS-ONGXEEELSA-N 1 2 236.319 0.409 20 0 BCADLO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555009 645811670 /nfs/dbraw/zinc/81/16/70/645811670.db2.gz MXFLNDRARMSOGS-ONGXEEELSA-N 1 2 236.319 0.409 20 0 BCADLO Cc1nnsc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928566337 645826198 /nfs/dbraw/zinc/82/61/98/645826198.db2.gz GEYWMKHROLNQPF-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nnsc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928566337 645826201 /nfs/dbraw/zinc/82/62/01/645826201.db2.gz GEYWMKHROLNQPF-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+]2C)s1 ZINC000928565080 645827609 /nfs/dbraw/zinc/82/76/09/645827609.db2.gz JKMZERSVFUTKCZ-QMMMGPOBSA-N 1 2 225.317 0.885 20 0 BCADLO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000928565080 645827611 /nfs/dbraw/zinc/82/76/11/645827611.db2.gz JKMZERSVFUTKCZ-QMMMGPOBSA-N 1 2 225.317 0.885 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]CCc2nc[nH]n2)n1 ZINC000883031292 645846954 /nfs/dbraw/zinc/84/69/54/645846954.db2.gz QGULSXQOJBNHCI-UHFFFAOYSA-N 1 2 234.307 0.984 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)OC ZINC000928638853 645853882 /nfs/dbraw/zinc/85/38/82/645853882.db2.gz KZDHBDSBVUGBPG-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000928915400 645892064 /nfs/dbraw/zinc/89/20/64/645892064.db2.gz RWOJMHHGBWEVSP-SFYZADRCSA-N 1 2 209.249 0.103 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930302763 645949836 /nfs/dbraw/zinc/94/98/36/645949836.db2.gz AAFXKDPFYNNKLQ-NAKRPEOUSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930302763 645949841 /nfs/dbraw/zinc/94/98/41/645949841.db2.gz AAFXKDPFYNNKLQ-NAKRPEOUSA-N 1 2 243.303 0.284 20 0 BCADLO C(C[N@@H+]1CCOC[C@@]12CCOC2)OC1CC1 ZINC000930323122 645952849 /nfs/dbraw/zinc/95/28/49/645952849.db2.gz DGZAJBSZXLVYBL-LBPRGKRZSA-N 1 2 227.304 0.657 20 0 BCADLO C(C[N@H+]1CCOC[C@@]12CCOC2)OC1CC1 ZINC000930323122 645952856 /nfs/dbraw/zinc/95/28/56/645952856.db2.gz DGZAJBSZXLVYBL-LBPRGKRZSA-N 1 2 227.304 0.657 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000924126712 645989548 /nfs/dbraw/zinc/98/95/48/645989548.db2.gz BFQCSFILVDLUFO-RKDXNWHRSA-N 1 2 222.244 0.742 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2noc3c2COCC3)C1 ZINC000929214875 646012655 /nfs/dbraw/zinc/01/26/55/646012655.db2.gz IJENYCQGYDVBBG-SECBINFHSA-N 1 2 238.287 0.704 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000929214875 646012662 /nfs/dbraw/zinc/01/26/62/646012662.db2.gz IJENYCQGYDVBBG-SECBINFHSA-N 1 2 238.287 0.704 20 0 BCADLO C[N@H+](CCc1ccns1)CC(=O)NC1CC1 ZINC000929228735 646024329 /nfs/dbraw/zinc/02/43/29/646024329.db2.gz SRGZEYMOOBMJHL-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO C[N@@H+](CCc1ccns1)CC(=O)NC1CC1 ZINC000929228735 646024334 /nfs/dbraw/zinc/02/43/34/646024334.db2.gz SRGZEYMOOBMJHL-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO COCC[NH+]1CCN(Cc2nncs2)CC1 ZINC000929245504 646031468 /nfs/dbraw/zinc/03/14/68/646031468.db2.gz XFOMYNXYZGPSTD-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000924462486 646039458 /nfs/dbraw/zinc/03/94/58/646039458.db2.gz YSHKAXABSRDIBB-VXGBXAGGSA-N 1 2 249.314 0.911 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924564217 646067736 /nfs/dbraw/zinc/06/77/36/646067736.db2.gz MDLLXRYPGNZKIY-JGVFFNPUSA-N 1 2 241.291 0.858 20 0 BCADLO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000924561991 646069160 /nfs/dbraw/zinc/06/91/60/646069160.db2.gz QORUTAQTPOGLNH-IUCAKERBSA-N 1 2 237.307 0.400 20 0 BCADLO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000924561985 646069580 /nfs/dbraw/zinc/06/95/80/646069580.db2.gz QORUTAQTPOGLNH-BDAKNGLRSA-N 1 2 237.307 0.400 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cnn(C)n1 ZINC000924632348 646080848 /nfs/dbraw/zinc/08/08/48/646080848.db2.gz MKHZAYRLRJVKIR-DTWKUNHWSA-N 1 2 237.307 0.134 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)C1(O)CCC1 ZINC000929359841 646089264 /nfs/dbraw/zinc/08/92/64/646089264.db2.gz HVNOAUCVBMHQBX-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)C1(O)CCC1 ZINC000929359841 646089268 /nfs/dbraw/zinc/08/92/68/646089268.db2.gz HVNOAUCVBMHQBX-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO Cc1[nH+]ccn1CCN[C@H](C)c1cnn(C)n1 ZINC000924871141 646121086 /nfs/dbraw/zinc/12/10/86/646121086.db2.gz DAMCTMCJZRVJQN-SECBINFHSA-N 1 2 234.307 0.671 20 0 BCADLO O=C1C[N@H+](CCc2ccns2)CCCN1 ZINC000929482086 646137624 /nfs/dbraw/zinc/13/76/24/646137624.db2.gz LLCLTPXLYNLOMK-UHFFFAOYSA-N 1 2 225.317 0.508 20 0 BCADLO O=C1C[N@@H+](CCc2ccns2)CCCN1 ZINC000929482086 646137629 /nfs/dbraw/zinc/13/76/29/646137629.db2.gz LLCLTPXLYNLOMK-UHFFFAOYSA-N 1 2 225.317 0.508 20 0 BCADLO COC/C(C)=C/C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000929604894 646196167 /nfs/dbraw/zinc/19/61/67/646196167.db2.gz VDIKRFSXSNKGAV-BDMRALOESA-N 1 2 243.303 0.187 20 0 BCADLO COC/C(C)=C/C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000929604894 646196170 /nfs/dbraw/zinc/19/61/70/646196170.db2.gz VDIKRFSXSNKGAV-BDMRALOESA-N 1 2 243.303 0.187 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929618043 646201197 /nfs/dbraw/zinc/20/11/97/646201197.db2.gz HPKFYLCAJKKLPN-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929618043 646201203 /nfs/dbraw/zinc/20/12/03/646201203.db2.gz HPKFYLCAJKKLPN-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000929682592 646241094 /nfs/dbraw/zinc/24/10/94/646241094.db2.gz HNQBTWFITWNTIT-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000929682592 646241097 /nfs/dbraw/zinc/24/10/97/646241097.db2.gz HNQBTWFITWNTIT-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO Cc1nc(C2([NH2+]C[C@H](O)CO)CCCC2)no1 ZINC000929739572 646279848 /nfs/dbraw/zinc/27/98/48/646279848.db2.gz DVQAIRKPOGKJIQ-VIFPVBQESA-N 1 2 241.291 0.090 20 0 BCADLO Cc1nc(C2([NH2+]C[C@@H](O)CO)CCCC2)no1 ZINC000929739561 646279969 /nfs/dbraw/zinc/27/99/69/646279969.db2.gz DVQAIRKPOGKJIQ-SECBINFHSA-N 1 2 241.291 0.090 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925439378 646284377 /nfs/dbraw/zinc/28/43/77/646284377.db2.gz SLALTXLQMGSBAK-ZJUUUORDSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925439378 646284381 /nfs/dbraw/zinc/28/43/81/646284381.db2.gz SLALTXLQMGSBAK-ZJUUUORDSA-N 1 2 239.319 0.454 20 0 BCADLO C[N@@H+](Cc1nccs1)C[C@@H](O)C1(O)CCC1 ZINC000929769520 646300572 /nfs/dbraw/zinc/30/05/72/646300572.db2.gz SEBDCIYVVDYZPT-SECBINFHSA-N 1 2 242.344 0.851 20 0 BCADLO C[N@H+](Cc1nccs1)C[C@@H](O)C1(O)CCC1 ZINC000929769520 646300576 /nfs/dbraw/zinc/30/05/76/646300576.db2.gz SEBDCIYVVDYZPT-SECBINFHSA-N 1 2 242.344 0.851 20 0 BCADLO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)on1 ZINC000925499201 646303642 /nfs/dbraw/zinc/30/36/42/646303642.db2.gz MXYHBVMOMDEURP-HTQZYQBOSA-N 1 2 241.291 0.811 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817704 646336054 /nfs/dbraw/zinc/33/60/54/646336054.db2.gz MABMHUHNRVDVQW-MWLCHTKSSA-N 1 2 227.260 0.006 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817704 646336059 /nfs/dbraw/zinc/33/60/59/646336059.db2.gz MABMHUHNRVDVQW-MWLCHTKSSA-N 1 2 227.260 0.006 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ncccc1F ZINC000925596396 646351526 /nfs/dbraw/zinc/35/15/26/646351526.db2.gz DKPIRFNTFIUTGZ-SNVBAGLBSA-N 1 2 237.278 0.835 20 0 BCADLO C[C@H](NCC[NH+]1CCC1)c1cc(CO)on1 ZINC000925604329 646354249 /nfs/dbraw/zinc/35/42/49/646354249.db2.gz JKOURTKXXMKKQU-VIFPVBQESA-N 1 2 225.292 0.523 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+](CC(=O)OC)C(C)C ZINC000929892206 646368740 /nfs/dbraw/zinc/36/87/40/646368740.db2.gz BCWNCFLCEDPIKV-POHAHGRESA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+](CC(=O)OC)C(C)C ZINC000929892206 646368744 /nfs/dbraw/zinc/36/87/44/646368744.db2.gz BCWNCFLCEDPIKV-POHAHGRESA-N 1 2 243.303 0.989 20 0 BCADLO O=C(NCCCO)c1cc2c[nH+]ccc2[nH]1 ZINC000930031552 646403007 /nfs/dbraw/zinc/40/30/07/646403007.db2.gz JZRAASFYOWOBRI-UHFFFAOYSA-N 1 2 219.244 0.675 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930068546 646421024 /nfs/dbraw/zinc/42/10/24/646421024.db2.gz JNTBLGKJDFKIHQ-GMXVVIOVSA-N 1 2 249.314 0.572 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930068546 646421027 /nfs/dbraw/zinc/42/10/27/646421027.db2.gz JNTBLGKJDFKIHQ-GMXVVIOVSA-N 1 2 249.314 0.572 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCOC1CC1 ZINC000930143052 646456555 /nfs/dbraw/zinc/45/65/55/646456555.db2.gz OYJODJNDXTWWIA-VIFPVBQESA-N 1 2 230.333 0.068 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1CCOC1CC1 ZINC000930143052 646456558 /nfs/dbraw/zinc/45/65/58/646456558.db2.gz OYJODJNDXTWWIA-VIFPVBQESA-N 1 2 230.333 0.068 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000930142777 646458020 /nfs/dbraw/zinc/45/80/20/646458020.db2.gz MLZDYGHIPFDZMN-OTVCUZDGSA-N 1 2 244.360 0.482 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000930142777 646458025 /nfs/dbraw/zinc/45/80/25/646458025.db2.gz MLZDYGHIPFDZMN-OTVCUZDGSA-N 1 2 244.360 0.482 20 0 BCADLO CC[S@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC000925819854 646494269 /nfs/dbraw/zinc/49/42/69/646494269.db2.gz JATLNRHCCSXVGF-AWEZNQCLSA-N 1 2 215.278 0.597 20 0 BCADLO CC[S@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC000925865341 646516243 /nfs/dbraw/zinc/51/62/43/646516243.db2.gz OGCWOIPXDKGBNI-AWEZNQCLSA-N 1 2 215.278 0.597 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1ncnn1C ZINC000926263235 646607253 /nfs/dbraw/zinc/60/72/53/646607253.db2.gz VDETWHDZMPWWBD-BDAKNGLRSA-N 1 2 240.307 0.617 20 0 BCADLO Cc1nonc1[C@H](C)NCc1c[nH+]cn1C ZINC000926442930 646639822 /nfs/dbraw/zinc/63/98/22/646639822.db2.gz LIFBYTYSFKCGPG-ZETCQYMHSA-N 1 2 221.264 0.962 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC2(CC2)C1 ZINC000926461855 646648194 /nfs/dbraw/zinc/64/81/94/646648194.db2.gz SRIJUHTZSMWWDV-UHFFFAOYSA-N 1 2 205.261 0.896 20 0 BCADLO C[C@@H]1COC[C@H]1[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000926497942 646662980 /nfs/dbraw/zinc/66/29/80/646662980.db2.gz BYLMMKNCBOGOKR-FBIMIBRVSA-N 1 2 235.287 0.233 20 0 BCADLO CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC000724714335 711609436 /nfs/dbraw/zinc/60/94/36/711609436.db2.gz AQJAPSNTAMMPJU-WDSKDSINSA-N 1 2 238.234 0.037 20 0 BCADLO C[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000724726961 711609881 /nfs/dbraw/zinc/60/98/81/711609881.db2.gz JFJGBHNTEHQQIY-BQBZGAKWSA-N 1 2 222.235 0.216 20 0 BCADLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000911530459 711819069 /nfs/dbraw/zinc/81/90/69/711819069.db2.gz BTUGFWGABLQJEK-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccc[nH]1 ZINC001030099700 711826236 /nfs/dbraw/zinc/82/62/36/711826236.db2.gz BSBXDBXATNTLOH-UHFFFAOYSA-N 1 2 225.267 0.788 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1ncnn1CC ZINC000228806765 711836712 /nfs/dbraw/zinc/83/67/12/711836712.db2.gz CAIGBHYXJYOHJP-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388141512 711843658 /nfs/dbraw/zinc/84/36/58/711843658.db2.gz GIWWKPUOLYCTKD-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388141512 711843661 /nfs/dbraw/zinc/84/36/61/711843661.db2.gz GIWWKPUOLYCTKD-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO C/C=C\C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000914736880 711865119 /nfs/dbraw/zinc/86/51/19/711865119.db2.gz QSZIZLQRNBCXOH-XOULXFPDSA-N 1 2 212.293 0.399 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1CSC1 ZINC000702349276 712045604 /nfs/dbraw/zinc/04/56/04/712045604.db2.gz GXMJZBXBRVLNTP-UHFFFAOYSA-N 1 2 221.289 0.891 20 0 BCADLO OC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@H]1CO ZINC000705298875 712127567 /nfs/dbraw/zinc/12/75/67/712127567.db2.gz JQNLFBNSAPIOKQ-XQORSTCWSA-N 1 2 240.130 0.838 20 0 BCADLO OC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@H]1CO ZINC000705298875 712127569 /nfs/dbraw/zinc/12/75/69/712127569.db2.gz JQNLFBNSAPIOKQ-XQORSTCWSA-N 1 2 240.130 0.838 20 0 BCADLO Cn1nc(C[N@H+](C)CCO)cc1Cl ZINC000706162585 712141615 /nfs/dbraw/zinc/14/16/15/712141615.db2.gz DASKIWKQMDWEDX-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1nc(C[N@@H+](C)CCO)cc1Cl ZINC000706162585 712141616 /nfs/dbraw/zinc/14/16/16/712141616.db2.gz DASKIWKQMDWEDX-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001079323248 712346029 /nfs/dbraw/zinc/34/60/29/712346029.db2.gz NRDBXHBNBMULAX-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001079323248 712346031 /nfs/dbraw/zinc/34/60/31/712346031.db2.gz NRDBXHBNBMULAX-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO Nc1nc(C(=O)OCCn2cc[nH+]c2)cs1 ZINC000390138846 712374644 /nfs/dbraw/zinc/37/46/44/712374644.db2.gz NMFVOVWVJYXMLO-UHFFFAOYSA-N 1 2 238.272 0.609 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(O)c1 ZINC000712305022 712396237 /nfs/dbraw/zinc/39/62/37/712396237.db2.gz XZRRIYUZZYTRFW-SECBINFHSA-N 1 2 221.260 0.221 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1cncc(O)c1 ZINC000712305022 712396238 /nfs/dbraw/zinc/39/62/38/712396238.db2.gz XZRRIYUZZYTRFW-SECBINFHSA-N 1 2 221.260 0.221 20 0 BCADLO Cc1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)no1 ZINC000714252072 712480903 /nfs/dbraw/zinc/48/09/03/712480903.db2.gz QVXYLHMNMQZFPR-CZMCAQCFSA-N 1 2 244.316 0.648 20 0 BCADLO C[C@H](NC[C@H]1CC[N@@H+]1C)c1cn(C)nn1 ZINC000715883881 712539670 /nfs/dbraw/zinc/53/96/70/712539670.db2.gz NMPQJXTZUBYDJU-DTWKUNHWSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@H](NC[C@H]1CC[N@H+]1C)c1cn(C)nn1 ZINC000715883881 712539672 /nfs/dbraw/zinc/53/96/72/712539672.db2.gz NMPQJXTZUBYDJU-DTWKUNHWSA-N 1 2 209.297 0.170 20 0 BCADLO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715903154 712541197 /nfs/dbraw/zinc/54/11/97/712541197.db2.gz RCLSCYPAHGXSIM-VIFPVBQESA-N 1 2 239.323 0.238 20 0 BCADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000379957947 712636587 /nfs/dbraw/zinc/63/65/87/712636587.db2.gz GLORRHJXXZDOBW-RKDXNWHRSA-N 1 2 210.281 0.472 20 0 BCADLO Cc1cc([C@@H](C)[NH2+]CCS(C)(=O)=O)no1 ZINC000389567587 712689511 /nfs/dbraw/zinc/68/95/11/712689511.db2.gz APUSSBPIKIDETN-MRVPVSSYSA-N 1 2 232.305 0.678 20 0 BCADLO Cn1c[nH+]cc1CN[C@@]1(C)CCOC1=O ZINC000380178282 712706154 /nfs/dbraw/zinc/70/61/54/712706154.db2.gz KSTLJXLUQNZHJY-JTQLQIEISA-N 1 2 209.249 0.215 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C ZINC000928635120 712711412 /nfs/dbraw/zinc/71/14/12/712711412.db2.gz IWRRMZWYVQUKSK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO O[C@H](C[N@@H+]1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142099 712713532 /nfs/dbraw/zinc/71/35/32/712713532.db2.gz KZCLBSHXUASKSP-VHSXEESVSA-N 1 2 222.292 0.713 20 0 BCADLO O[C@H](C[N@H+]1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142099 712713533 /nfs/dbraw/zinc/71/35/33/712713533.db2.gz KZCLBSHXUASKSP-VHSXEESVSA-N 1 2 222.292 0.713 20 0 BCADLO CN1CC[N@H+](CCc2ccns2)C[C@@H]1CO ZINC000719874959 712825044 /nfs/dbraw/zinc/82/50/44/712825044.db2.gz TUNGZAGSYDJGFZ-SNVBAGLBSA-N 1 2 241.360 0.294 20 0 BCADLO CN1CC[N@@H+](CCc2ccns2)C[C@@H]1CO ZINC000719874959 712825046 /nfs/dbraw/zinc/82/50/46/712825046.db2.gz TUNGZAGSYDJGFZ-SNVBAGLBSA-N 1 2 241.360 0.294 20 0 BCADLO OCC[C@@H]1COCC[N@@H+]1CCc1ccns1 ZINC000719877303 712825061 /nfs/dbraw/zinc/82/50/61/712825061.db2.gz AJVWDSSJZKEMKQ-SNVBAGLBSA-N 1 2 242.344 0.769 20 0 BCADLO OCC[C@@H]1COCC[N@H+]1CCc1ccns1 ZINC000719877303 712825063 /nfs/dbraw/zinc/82/50/63/712825063.db2.gz AJVWDSSJZKEMKQ-SNVBAGLBSA-N 1 2 242.344 0.769 20 0 BCADLO COc1ccc[nH+]c1NCCn1cncn1 ZINC000381289803 710617370 /nfs/dbraw/zinc/61/73/70/710617370.db2.gz NGRKMDSDGFVPTJ-UHFFFAOYSA-N 1 2 219.248 0.794 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001018376954 710665675 /nfs/dbraw/zinc/66/56/75/710665675.db2.gz KJAXZIBVULNJCX-VIFPVBQESA-N 1 2 238.291 0.479 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1OCCO1)C1CC1 ZINC000381659317 710668885 /nfs/dbraw/zinc/66/88/85/710668885.db2.gz FTPFVZNFNJHOKU-SNVBAGLBSA-N 1 2 229.276 0.291 20 0 BCADLO CCC[N@@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038842802 710709241 /nfs/dbraw/zinc/70/92/41/710709241.db2.gz WFAVSMXRUZEGOS-QMMMGPOBSA-N 1 2 223.280 0.019 20 0 BCADLO CCC[N@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038842802 710709244 /nfs/dbraw/zinc/70/92/44/710709244.db2.gz WFAVSMXRUZEGOS-QMMMGPOBSA-N 1 2 223.280 0.019 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc(F)nc2)n1 ZINC000381802557 710719839 /nfs/dbraw/zinc/71/98/39/710719839.db2.gz DRQWXZFZQKJOCK-UHFFFAOYSA-N 1 2 221.239 0.639 20 0 BCADLO C[C@@H](O)[C@H](O)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724388650 710739608 /nfs/dbraw/zinc/73/96/08/710739608.db2.gz PYNRIYOIHHIDCT-RKDXNWHRSA-N 1 2 242.319 0.803 20 0 BCADLO CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001041738224 710768628 /nfs/dbraw/zinc/76/86/28/710768628.db2.gz JGALKLUNQJLPTN-LDYMZIIASA-N 1 2 234.303 0.746 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042393503 710779232 /nfs/dbraw/zinc/77/92/32/710779232.db2.gz DUXXUWQUCKOBOZ-ZETCQYMHSA-N 1 2 236.262 0.429 20 0 BCADLO CN(C(=O)C1CCCC1)C1C[NH+](CCO)C1 ZINC001042400506 710781747 /nfs/dbraw/zinc/78/17/47/710781747.db2.gz FEKGSNDCGRPKTG-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccco2)C1 ZINC001042419220 710782519 /nfs/dbraw/zinc/78/25/19/710782519.db2.gz GPQUYJQRIUASIR-SECBINFHSA-N 1 2 238.287 0.417 20 0 BCADLO CN(C(=O)C[C@@H]1C=CCC1)C1C[NH+](CCO)C1 ZINC001042458622 710784882 /nfs/dbraw/zinc/78/48/82/710784882.db2.gz SAEKEERTXCXCEK-LLVKDONJSA-N 1 2 238.331 0.478 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnn2C)C1 ZINC001042524902 710791123 /nfs/dbraw/zinc/79/11/23/710791123.db2.gz YNZNYQGORVYMEQ-UHFFFAOYSA-N 1 2 222.292 0.196 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cocn2)C1 ZINC001042540918 710791400 /nfs/dbraw/zinc/79/14/00/710791400.db2.gz OQKZCTPKQHDINP-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1ncc(C(=O)N(C)C2C[NH+](CC3CC3)C2)[nH]1 ZINC001042543346 710791419 /nfs/dbraw/zinc/79/14/19/710791419.db2.gz LRPOTCBAVWEIJA-UHFFFAOYSA-N 1 2 248.330 0.884 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2CC=CC2)C1 ZINC001042559963 710791533 /nfs/dbraw/zinc/79/15/33/710791533.db2.gz DDFTVGUVQHZHBL-UHFFFAOYSA-N 1 2 238.331 0.742 20 0 BCADLO CC1CC(C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042597804 710794222 /nfs/dbraw/zinc/79/42/22/710794222.db2.gz UMZIQYYYGQRFEN-UHFFFAOYSA-N 1 2 226.320 0.167 20 0 BCADLO CN(C(=O)C1(C)CCCC1)C1C[NH+](CCO)C1 ZINC001043495993 710807955 /nfs/dbraw/zinc/80/79/55/710807955.db2.gz NQGMISOVAAZGPQ-UHFFFAOYSA-N 1 2 240.347 0.702 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnc(C)n2C)C1 ZINC001043633843 710810184 /nfs/dbraw/zinc/81/01/84/710810184.db2.gz QVVUAKSTHSLGHF-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO CN(C(=O)[C@@H]1CCC1(C)C)C1C[NH+](CCO)C1 ZINC001043584938 710811370 /nfs/dbraw/zinc/81/13/70/710811370.db2.gz IOCJMJLVDPNYHG-NSHDSACASA-N 1 2 240.347 0.558 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043809143 710814269 /nfs/dbraw/zinc/81/42/69/710814269.db2.gz OTQQRFNHXXAHTJ-ZYHUDNBSSA-N 1 2 240.347 0.558 20 0 BCADLO CN(C(=O)[C@@H]1CC12CCC2)C1C[NH+](CCO)C1 ZINC001043983097 710816395 /nfs/dbraw/zinc/81/63/95/710816395.db2.gz VHRMYMFKGXNZOY-NSHDSACASA-N 1 2 238.331 0.312 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001044061427 710818105 /nfs/dbraw/zinc/81/81/05/710818105.db2.gz UMMYITKIVDSGMV-UHFFFAOYSA-N 1 2 236.319 0.803 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC001044047595 710818824 /nfs/dbraw/zinc/81/88/24/710818824.db2.gz MWZLLOLOXFCMLR-UHFFFAOYSA-N 1 2 248.330 0.870 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001044135378 710820118 /nfs/dbraw/zinc/82/01/18/710820118.db2.gz MTKUGRUAIFZYAN-UHFFFAOYSA-N 1 2 249.314 0.459 20 0 BCADLO COC(OC)[C@@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000383722539 710882950 /nfs/dbraw/zinc/88/29/50/710882950.db2.gz YPIBNJHXRXTPOB-SECBINFHSA-N 1 2 242.323 0.956 20 0 BCADLO CC(C)[NH+]1CC2(C1)CN(C(=O)C1CC1)CCO2 ZINC001053118172 710919471 /nfs/dbraw/zinc/91/94/71/710919471.db2.gz YCIUNTOWIMSPJQ-UHFFFAOYSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@H](C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053161563 710919842 /nfs/dbraw/zinc/91/98/42/710919842.db2.gz XEKPGTAUNZXBRY-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)=CC[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053708465 710921128 /nfs/dbraw/zinc/92/11/28/710921128.db2.gz DBBCGZFCLJEGPJ-LBPRGKRZSA-N 1 2 238.331 0.932 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)CO2 ZINC001053715703 710923101 /nfs/dbraw/zinc/92/31/01/710923101.db2.gz CNMAQKGSMLYWKI-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000384892293 710999929 /nfs/dbraw/zinc/99/99/29/710999929.db2.gz LEZUIUYWLBWOIE-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO CNc1cc(N2C[C@H](C)[C@H](O)C2)nc[nH+]1 ZINC000388314894 711058206 /nfs/dbraw/zinc/05/82/06/711058206.db2.gz YAGDJLVSQMKWRY-JGVFFNPUSA-N 1 2 208.265 0.335 20 0 BCADLO CNc1cc(N2C[C@H](C)[C@H](O)C2)[nH+]cn1 ZINC000388314894 711058213 /nfs/dbraw/zinc/05/82/13/711058213.db2.gz YAGDJLVSQMKWRY-JGVFFNPUSA-N 1 2 208.265 0.335 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000387908965 711048136 /nfs/dbraw/zinc/04/81/36/711048136.db2.gz MCEMFKDMIFKIHF-GZMMTYOYSA-N 1 2 226.276 0.634 20 0 BCADLO COCc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000387908965 711048140 /nfs/dbraw/zinc/04/81/40/711048140.db2.gz MCEMFKDMIFKIHF-GZMMTYOYSA-N 1 2 226.276 0.634 20 0 BCADLO Cc1ccc(NCc2c[nH+]cn2C)nn1 ZINC000388485901 711060848 /nfs/dbraw/zinc/06/08/48/711060848.db2.gz ZTJHTWBFGDFPCX-UHFFFAOYSA-N 1 2 203.249 0.553 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccnc(F)c1 ZINC000388457555 711061001 /nfs/dbraw/zinc/06/10/01/711061001.db2.gz DOTBDHPMPVVPTD-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cccnc1F ZINC000388481614 711061503 /nfs/dbraw/zinc/06/15/03/711061503.db2.gz VDPJHFKZNOSNTD-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000389594213 711081517 /nfs/dbraw/zinc/08/15/17/711081517.db2.gz OFQKVUOQLJYFEU-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000389594213 711081522 /nfs/dbraw/zinc/08/15/22/711081522.db2.gz OFQKVUOQLJYFEU-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO CC[S@@](=O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000390136192 711106490 /nfs/dbraw/zinc/10/64/90/711106490.db2.gz MAXODAGMBZHCJJ-MRXNPFEDSA-N 1 2 242.300 0.306 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCCO2)cc[nH+]1 ZINC000390329390 711113179 /nfs/dbraw/zinc/11/31/79/711113179.db2.gz KDXXFWQJRYFWMN-SECBINFHSA-N 1 2 222.244 0.716 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000391610028 711140648 /nfs/dbraw/zinc/14/06/48/711140648.db2.gz NFNGOQKJOAVGGT-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncccn2)C1 ZINC001071283164 711184655 /nfs/dbraw/zinc/18/46/55/711184655.db2.gz ULHPZRWLZKEKSG-PWSUYJOCSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncccn2)C1 ZINC001071283164 711184656 /nfs/dbraw/zinc/18/46/56/711184656.db2.gz ULHPZRWLZKEKSG-PWSUYJOCSA-N 1 2 248.330 0.966 20 0 BCADLO COC(OC)[C@H](C)[NH2+]Cc1cocn1 ZINC000395164211 711203213 /nfs/dbraw/zinc/20/32/13/711203213.db2.gz OEZXFOGTXRGNCU-ZETCQYMHSA-N 1 2 200.238 0.772 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398399518 711408967 /nfs/dbraw/zinc/40/89/67/711408967.db2.gz MGMDLRPTWAJRLN-VHSXEESVSA-N 1 2 222.292 0.852 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398399518 711408969 /nfs/dbraw/zinc/40/89/69/711408969.db2.gz MGMDLRPTWAJRLN-VHSXEESVSA-N 1 2 222.292 0.852 20 0 BCADLO CC1(C(=O)NOCC(F)(F)F)C[NH2+]C1 ZINC000399314152 711427056 /nfs/dbraw/zinc/42/70/56/711427056.db2.gz SHUSSXXGRVJWSC-UHFFFAOYSA-N 1 2 212.171 0.206 20 0 BCADLO CONC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000381750024 710699433 /nfs/dbraw/zinc/69/94/33/710699433.db2.gz QYJGWICUKUKYDR-SECBINFHSA-N 1 2 212.224 0.546 20 0 BCADLO COC[C@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042405433 710780711 /nfs/dbraw/zinc/78/07/11/710780711.db2.gz BIQKIVMNVCYIPA-VIFPVBQESA-N 1 2 246.326 0.912 20 0 BCADLO O=C1OCCN1C[N@H+]1CCCOCC1 ZINC000902092564 710877238 /nfs/dbraw/zinc/87/72/38/710877238.db2.gz GDHQYQHXNSVHTH-UHFFFAOYSA-N 1 2 200.238 0.118 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCCOCC1 ZINC000902092564 710877234 /nfs/dbraw/zinc/87/72/34/710877234.db2.gz GDHQYQHXNSVHTH-UHFFFAOYSA-N 1 2 200.238 0.118 20 0 BCADLO CC=CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000383240937 710978799 /nfs/dbraw/zinc/97/87/99/710978799.db2.gz DKKHCIXGDGWKBO-TYRPZCRBSA-N 1 2 237.259 0.186 20 0 BCADLO C/C=C\C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000383240937 710978802 /nfs/dbraw/zinc/97/88/02/710978802.db2.gz DKKHCIXGDGWKBO-TYRPZCRBSA-N 1 2 237.259 0.186 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nncn1C ZINC000384890930 711000570 /nfs/dbraw/zinc/00/05/70/711000570.db2.gz KXGQGCVDBORAPG-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nncn1C ZINC000384890930 711000575 /nfs/dbraw/zinc/00/05/75/711000575.db2.gz KXGQGCVDBORAPG-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000384993538 711003083 /nfs/dbraw/zinc/00/30/83/711003083.db2.gz FAPWHBQUIPWAII-VHSXEESVSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000384993538 711003088 /nfs/dbraw/zinc/00/30/88/711003088.db2.gz FAPWHBQUIPWAII-VHSXEESVSA-N 1 2 215.293 0.785 20 0 BCADLO CC(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071359749 711190134 /nfs/dbraw/zinc/19/01/34/711190134.db2.gz ZSOMQTZOEYDDNH-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071359749 711190135 /nfs/dbraw/zinc/19/01/35/711190135.db2.gz ZSOMQTZOEYDDNH-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000397540129 711387003 /nfs/dbraw/zinc/38/70/03/711387003.db2.gz UCROYMLSZJUZSS-UHFFFAOYSA-N 1 2 246.698 0.183 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1ncc(C)s1 ZINC000397544581 711387012 /nfs/dbraw/zinc/38/70/12/711387012.db2.gz KUSNEWDCTDGSEW-UHFFFAOYSA-N 1 2 229.305 0.561 20 0 BCADLO COCC[N@H+](CCO)Cc1nn(C)cc1C ZINC000723996394 711552958 /nfs/dbraw/zinc/55/29/58/711552958.db2.gz KCSFPQAQVIZWFL-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO COCC[N@@H+](CCO)Cc1nn(C)cc1C ZINC000723996394 711552959 /nfs/dbraw/zinc/55/29/59/711552959.db2.gz KCSFPQAQVIZWFL-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724220931 711571071 /nfs/dbraw/zinc/57/10/71/711571071.db2.gz FNFYCCWZCSGYHU-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724220931 711571072 /nfs/dbraw/zinc/57/10/72/711571072.db2.gz FNFYCCWZCSGYHU-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@@](C)(O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000383533775 711575203 /nfs/dbraw/zinc/57/52/03/711575203.db2.gz RSCTXPYTAIBQMF-LLVKDONJSA-N 1 2 235.291 0.792 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C[C@@H]1F ZINC000934565268 711594303 /nfs/dbraw/zinc/59/43/03/711594303.db2.gz BUQZJOSJXAFVGO-QJPTWQEYSA-N 1 2 247.310 0.934 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C[C@@H]1F ZINC000934565268 711594306 /nfs/dbraw/zinc/59/43/06/711594306.db2.gz BUQZJOSJXAFVGO-QJPTWQEYSA-N 1 2 247.310 0.934 20 0 BCADLO CC(=O)N[C@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724780606 711613879 /nfs/dbraw/zinc/61/38/79/711613879.db2.gz DRWDQDVPTLYZCA-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CO[C@@H]1CCOC[C@H]1Nc1cc[nH+]cc1F ZINC000724889687 711625741 /nfs/dbraw/zinc/62/57/41/711625741.db2.gz AFNJCLZXPUZPDX-GHMZBOCLSA-N 1 2 226.251 0.858 20 0 BCADLO c1snnc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000724926827 711629486 /nfs/dbraw/zinc/62/94/86/711629486.db2.gz VQARDVXYBFYHGI-SECBINFHSA-N 1 2 229.305 0.433 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCO[C@@H]1CCOC1)C(C)C ZINC000724929639 711629687 /nfs/dbraw/zinc/62/96/87/711629687.db2.gz CIITXWNQBQRAPS-MNOVXSKESA-N 1 2 245.319 0.579 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685471144 711658170 /nfs/dbraw/zinc/65/81/70/711658170.db2.gz OVAOSVWMVQTJLT-ONGXEEELSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685471144 711658172 /nfs/dbraw/zinc/65/81/72/711658172.db2.gz OVAOSVWMVQTJLT-ONGXEEELSA-N 1 2 225.292 0.381 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000309421232 711697402 /nfs/dbraw/zinc/69/74/02/711697402.db2.gz XZPHZCSUZICWCB-SNVBAGLBSA-N 1 2 221.264 0.667 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc1cnccn1 ZINC000930843628 711704870 /nfs/dbraw/zinc/70/48/70/711704870.db2.gz STWAMMHVOGFUGL-AXFHLTTASA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc1cnccn1 ZINC000930843628 711704872 /nfs/dbraw/zinc/70/48/72/711704872.db2.gz STWAMMHVOGFUGL-AXFHLTTASA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCc1cnccn1 ZINC000930843631 711705000 /nfs/dbraw/zinc/70/50/00/711705000.db2.gz STWAMMHVOGFUGL-HBNTYKKESA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCc1cnccn1 ZINC000930843631 711705001 /nfs/dbraw/zinc/70/50/01/711705001.db2.gz STWAMMHVOGFUGL-HBNTYKKESA-N 1 2 248.330 0.616 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)CC1=CCCOC1 ZINC000661653167 711713852 /nfs/dbraw/zinc/71/38/52/711713852.db2.gz GKIMGJGJXZJQPB-UHFFFAOYSA-N 1 2 234.303 0.837 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)CC1=CCCOC1 ZINC000661653167 711713854 /nfs/dbraw/zinc/71/38/54/711713854.db2.gz GKIMGJGJXZJQPB-UHFFFAOYSA-N 1 2 234.303 0.837 20 0 BCADLO CC1(C)CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893582493 711740102 /nfs/dbraw/zinc/74/01/02/711740102.db2.gz UBRXWJAKBLNDNC-SNVBAGLBSA-N 1 2 232.287 0.936 20 0 BCADLO CNc1cc(N(C)C[C@@H]2CCOC2)nc[nH+]1 ZINC000398915173 711741795 /nfs/dbraw/zinc/74/17/95/711741795.db2.gz BLJOLJHVKJPIBO-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N(C)C[C@@H]2CCOC2)[nH+]cn1 ZINC000398915173 711741797 /nfs/dbraw/zinc/74/17/97/711741797.db2.gz BLJOLJHVKJPIBO-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO CCN1CCC[C@H]([NH2+]Cc2ccon2)C1=O ZINC000722360247 711746296 /nfs/dbraw/zinc/74/62/96/711746296.db2.gz PXNOCNIQLMOBER-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO Cc1nc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc(N)[nH+]1 ZINC000896077668 711781885 /nfs/dbraw/zinc/78/18/85/711781885.db2.gz FVPRVRUISYXLQC-AEJSXWLSSA-N 1 2 247.302 0.765 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)[nH+]1 ZINC000896077668 711781886 /nfs/dbraw/zinc/78/18/86/711781886.db2.gz FVPRVRUISYXLQC-AEJSXWLSSA-N 1 2 247.302 0.765 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](O)[C@@H](F)C2)nc[nH+]1 ZINC000897374759 711788467 /nfs/dbraw/zinc/78/84/67/711788467.db2.gz BRZOGFFZKBYGKT-DTWKUNHWSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](O)[C@@H](F)C2)[nH+]cn1 ZINC000897374759 711788468 /nfs/dbraw/zinc/78/84/68/711788468.db2.gz BRZOGFFZKBYGKT-DTWKUNHWSA-N 1 2 240.282 0.452 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CSC1 ZINC000898504966 711801728 /nfs/dbraw/zinc/80/17/28/711801728.db2.gz VVTVVEBPQUWXKD-SNVBAGLBSA-N 1 2 246.351 0.900 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CSC1 ZINC000898504966 711801729 /nfs/dbraw/zinc/80/17/29/711801729.db2.gz VVTVVEBPQUWXKD-SNVBAGLBSA-N 1 2 246.351 0.900 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1C[C@@H](O)C1 ZINC000898505897 711801799 /nfs/dbraw/zinc/80/17/99/711801799.db2.gz ZXFWORSGSWCPCB-MXWKQRLJSA-N 1 2 244.310 0.307 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1C[C@@H](O)C1 ZINC000898505897 711801800 /nfs/dbraw/zinc/80/18/00/711801800.db2.gz ZXFWORSGSWCPCB-MXWKQRLJSA-N 1 2 244.310 0.307 20 0 BCADLO CCOC(C[NH2+][C@@H](C)c1nncn1C)OCC ZINC000160222725 711806055 /nfs/dbraw/zinc/80/60/55/711806055.db2.gz MGAZPPOHGQDJMX-VIFPVBQESA-N 1 2 242.323 0.865 20 0 BCADLO CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001076654513 711806645 /nfs/dbraw/zinc/80/66/45/711806645.db2.gz UKXLFSCRAZIVPG-UREXNXCXSA-N 1 2 232.711 0.310 20 0 BCADLO CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001076654513 711806646 /nfs/dbraw/zinc/80/66/46/711806646.db2.gz UKXLFSCRAZIVPG-UREXNXCXSA-N 1 2 232.711 0.310 20 0 BCADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC[C@H]1O ZINC000907536858 711815843 /nfs/dbraw/zinc/81/58/43/711815843.db2.gz GBMLYMFRHHAMDF-GHMZBOCLSA-N 1 2 249.314 0.723 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394805 711818672 /nfs/dbraw/zinc/81/86/72/711818672.db2.gz CTFMBTSMMQYPBG-UHFFFAOYSA-N 1 2 206.236 0.803 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913474495 711822554 /nfs/dbraw/zinc/82/25/54/711822554.db2.gz BYTYCRVIDJXVGU-ADEWGFFLSA-N 1 2 248.330 0.549 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000913531904 711824569 /nfs/dbraw/zinc/82/45/69/711824569.db2.gz BSVFVSDPYBQOQN-IFHCSVGRSA-N 1 2 248.326 0.517 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000913531904 711824571 /nfs/dbraw/zinc/82/45/71/711824571.db2.gz BSVFVSDPYBQOQN-IFHCSVGRSA-N 1 2 248.326 0.517 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001030214816 711828268 /nfs/dbraw/zinc/82/82/68/711828268.db2.gz RHMLZDIUBVDPND-UHFFFAOYSA-N 1 2 248.330 0.800 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3cccn3cn2)C1 ZINC001030507229 711835633 /nfs/dbraw/zinc/83/56/33/711835633.db2.gz DBJGPXMVKOXQSH-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO C[C@]1(C(=O)NC2C[NH+](CCO)C2)C=CCC1 ZINC001030797383 711843071 /nfs/dbraw/zinc/84/30/71/711843071.db2.gz AVXMKRVCFOLLSD-LBPRGKRZSA-N 1 2 224.304 0.135 20 0 BCADLO Cc1cocc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030797410 711843092 /nfs/dbraw/zinc/84/30/92/711843092.db2.gz BHUYALPKWSZDKU-VIFPVBQESA-N 1 2 238.287 0.383 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030799189 711843156 /nfs/dbraw/zinc/84/31/56/711843156.db2.gz ZRHVXGWHGRMZOD-CYBMUJFWSA-N 1 2 238.331 0.790 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001030799191 711843261 /nfs/dbraw/zinc/84/32/61/711843261.db2.gz ZRHVXGWHGRMZOD-ZDUSSCGKSA-N 1 2 238.331 0.790 20 0 BCADLO FCCn1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000921704230 711935901 /nfs/dbraw/zinc/93/59/01/711935901.db2.gz JZXBPFBXGXQJKX-UHFFFAOYSA-N 1 2 223.255 0.866 20 0 BCADLO OC[C@H]1C[N@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721943114 711945221 /nfs/dbraw/zinc/94/52/21/711945221.db2.gz NCBUDQCSGJRHEQ-RNFRBKRXSA-N 1 2 248.735 0.582 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721943114 711945222 /nfs/dbraw/zinc/94/52/22/711945222.db2.gz NCBUDQCSGJRHEQ-RNFRBKRXSA-N 1 2 248.735 0.582 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001032854025 711962758 /nfs/dbraw/zinc/96/27/58/711962758.db2.gz VQGUKUQNVIDYCZ-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001032854025 711962760 /nfs/dbraw/zinc/96/27/60/711962760.db2.gz VQGUKUQNVIDYCZ-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CN(C(=O)C(F)F)[C@H]1CC[N@H+](CCF)C1 ZINC001032851299 711962774 /nfs/dbraw/zinc/96/27/74/711962774.db2.gz YOEDYQUKQVWHGN-ZETCQYMHSA-N 1 2 224.226 0.754 20 0 BCADLO CN(C(=O)C(F)F)[C@H]1CC[N@@H+](CCF)C1 ZINC001032851299 711962775 /nfs/dbraw/zinc/96/27/75/711962775.db2.gz YOEDYQUKQVWHGN-ZETCQYMHSA-N 1 2 224.226 0.754 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001032854026 711963194 /nfs/dbraw/zinc/96/31/94/711963194.db2.gz VQGUKUQNVIDYCZ-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001032854026 711963195 /nfs/dbraw/zinc/96/31/95/711963195.db2.gz VQGUKUQNVIDYCZ-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H](O)C1CCC1 ZINC000922789911 711976548 /nfs/dbraw/zinc/97/65/48/711976548.db2.gz DQNHOILQTRZBSN-SNVBAGLBSA-N 1 2 236.271 0.868 20 0 BCADLO CC1(O)CCC([NH2+]Cc2c[nH]nn2)CC1 ZINC000702987768 712063330 /nfs/dbraw/zinc/06/33/30/712063330.db2.gz GYWPNQTUNMYZLB-UHFFFAOYSA-N 1 2 210.281 0.588 20 0 BCADLO CC1(O)CCC([NH2+]Cc2cn[nH]n2)CC1 ZINC000702987768 712063332 /nfs/dbraw/zinc/06/33/32/712063332.db2.gz GYWPNQTUNMYZLB-UHFFFAOYSA-N 1 2 210.281 0.588 20 0 BCADLO CNc1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000703522903 712077940 /nfs/dbraw/zinc/07/79/40/712077940.db2.gz ATMSMLGEQZTVKM-OCAPTIKFSA-N 1 2 235.291 0.218 20 0 BCADLO CNc1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000703522903 712077941 /nfs/dbraw/zinc/07/79/41/712077941.db2.gz ATMSMLGEQZTVKM-OCAPTIKFSA-N 1 2 235.291 0.218 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2ccc(N)nn2)cn1 ZINC000703920984 712094377 /nfs/dbraw/zinc/09/43/77/712094377.db2.gz YVDYBFHTTKYUBH-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2ccc(N)nn2)cn1 ZINC000703920984 712094379 /nfs/dbraw/zinc/09/43/79/712094379.db2.gz YVDYBFHTTKYUBH-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2CC(=O)N(C)C2)s1 ZINC000704652484 712112676 /nfs/dbraw/zinc/11/26/76/712112676.db2.gz QWXDIAAMLCMSKA-SSDOTTSWSA-N 1 2 226.305 0.167 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000705394424 712129932 /nfs/dbraw/zinc/12/99/32/712129932.db2.gz XQUDFROOYLRXCP-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1cnccc1C[N@H+]1CCOC[C@@H]1CCO ZINC000705394424 712129933 /nfs/dbraw/zinc/12/99/33/712129933.db2.gz XQUDFROOYLRXCP-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO O=C(C(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000707430879 712170055 /nfs/dbraw/zinc/17/00/55/712170055.db2.gz MNYDTPJJTUMYJC-UHFFFAOYSA-N 1 2 201.176 0.532 20 0 BCADLO C[N@H+](Cc1cnc(Cl)cn1)[C@@H]1COC[C@H]1O ZINC000708593534 712214162 /nfs/dbraw/zinc/21/41/62/712214162.db2.gz BVBFGRIOBDEDJY-RKDXNWHRSA-N 1 2 243.694 0.322 20 0 BCADLO C[N@@H+](Cc1cnc(Cl)cn1)[C@@H]1COC[C@H]1O ZINC000708593534 712214163 /nfs/dbraw/zinc/21/41/63/712214163.db2.gz BVBFGRIOBDEDJY-RKDXNWHRSA-N 1 2 243.694 0.322 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cn(C)cn1 ZINC000709920229 712232962 /nfs/dbraw/zinc/23/29/62/712232962.db2.gz OGZZLLZQVQZIBG-SSDOTTSWSA-N 1 2 246.261 0.452 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1ccon1 ZINC000710965242 712269626 /nfs/dbraw/zinc/26/96/26/712269626.db2.gz YCBBZGGEKFTZEF-VIFPVBQESA-N 1 2 212.249 0.916 20 0 BCADLO C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]cc1F ZINC000711712763 712319820 /nfs/dbraw/zinc/31/98/20/712319820.db2.gz JBKBJEKRKSILBD-XCBNKYQSSA-N 1 2 244.291 0.488 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711731526 712321191 /nfs/dbraw/zinc/32/11/91/712321191.db2.gz KRJGIIMKGSRDEN-UHFFFAOYSA-N 1 2 222.292 0.444 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711757291 712325865 /nfs/dbraw/zinc/32/58/65/712325865.db2.gz CZXPYRYAZPZXPA-JTQLQIEISA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711757291 712325866 /nfs/dbraw/zinc/32/58/66/712325866.db2.gz CZXPYRYAZPZXPA-JTQLQIEISA-N 1 2 229.276 0.039 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711803896 712332064 /nfs/dbraw/zinc/33/20/64/712332064.db2.gz WMLMGWBRKPJVAT-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)c1cnon1 ZINC001080648531 712353673 /nfs/dbraw/zinc/35/36/73/712353673.db2.gz QFMUVANYLYKAPP-VXNVDRBHSA-N 1 2 242.254 0.089 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)c1cnon1 ZINC001080648531 712353674 /nfs/dbraw/zinc/35/36/74/712353674.db2.gz QFMUVANYLYKAPP-VXNVDRBHSA-N 1 2 242.254 0.089 20 0 BCADLO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000378662308 712356395 /nfs/dbraw/zinc/35/63/95/712356395.db2.gz ALXNJQLGHWWSMX-OPRDCNLKSA-N 1 2 213.277 0.849 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccccc2O)C1 ZINC000379093864 712369313 /nfs/dbraw/zinc/36/93/13/712369313.db2.gz KAJJAUUUXQJMFC-UHFFFAOYSA-N 1 2 220.272 0.826 20 0 BCADLO Nc1cc(COC(=O)c2cc[n+]([O-])cc2)cc[nH+]1 ZINC000791480477 712422622 /nfs/dbraw/zinc/42/26/22/712422622.db2.gz BUCYACNFTQTRKF-UHFFFAOYSA-N 1 2 245.238 0.654 20 0 BCADLO Cc1ccc(C[NH2+]Cc2cnn(C)n2)cn1 ZINC000390655417 712423325 /nfs/dbraw/zinc/42/33/25/712423325.db2.gz QNBCLEJBERNYOY-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO CC[NH+]1CC(NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000713746562 712471077 /nfs/dbraw/zinc/47/10/77/712471077.db2.gz GRELZVLBZNTPRH-UHFFFAOYSA-N 1 2 248.330 0.722 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 ZINC000714245556 712480321 /nfs/dbraw/zinc/48/03/21/712480321.db2.gz JWDZGTYSMNHSND-ZKCHVHJHSA-N 1 2 244.291 0.630 20 0 BCADLO COC(=O)C1(O)C[NH+](CCCC(C)C)C1 ZINC000714487994 712492150 /nfs/dbraw/zinc/49/21/50/712492150.db2.gz MWRPXDCTCIAYRT-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715528390 712525919 /nfs/dbraw/zinc/52/59/19/712525919.db2.gz ATTSAWBTGUYVIJ-AGIUHOORSA-N 1 2 241.331 0.637 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715528390 712525920 /nfs/dbraw/zinc/52/59/20/712525920.db2.gz ATTSAWBTGUYVIJ-AGIUHOORSA-N 1 2 241.331 0.637 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cn(C)nn1 ZINC000715839804 712535553 /nfs/dbraw/zinc/53/55/53/712535553.db2.gz VXPHKZYKZKONNL-IYSWYEEDSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cn(C)nn1 ZINC000715856175 712537498 /nfs/dbraw/zinc/53/74/98/712537498.db2.gz ZHZGVHGKWBXGCN-DTWKUNHWSA-N 1 2 237.307 0.087 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cn(C)nn1 ZINC000715875878 712538682 /nfs/dbraw/zinc/53/86/82/712538682.db2.gz ITGXMBOIODJPDK-BDAKNGLRSA-N 1 2 237.307 0.134 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@@H+]1C)c1cn(C)nn1 ZINC000715883882 712539890 /nfs/dbraw/zinc/53/98/90/712539890.db2.gz NMPQJXTZUBYDJU-IUCAKERBSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@H+]1C)c1cn(C)nn1 ZINC000715883882 712539891 /nfs/dbraw/zinc/53/98/91/712539891.db2.gz NMPQJXTZUBYDJU-IUCAKERBSA-N 1 2 209.297 0.170 20 0 BCADLO CCOC[C@@H]([NH2+][C@@H]1CCOC1=O)C(C)C ZINC000379928722 712631627 /nfs/dbraw/zinc/63/16/27/712631627.db2.gz NBAWMVKNOPNTPI-NXEZZACHSA-N 1 2 215.293 0.953 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1 ZINC000880523640 712633565 /nfs/dbraw/zinc/63/35/65/712633565.db2.gz JQCKQSHVRMVCEO-PWSUYJOCSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1 ZINC000880523640 712633566 /nfs/dbraw/zinc/63/35/66/712633566.db2.gz JQCKQSHVRMVCEO-PWSUYJOCSA-N 1 2 248.330 0.521 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cnn(C)c1 ZINC000380166343 712705048 /nfs/dbraw/zinc/70/50/48/712705048.db2.gz GAMRZIMRTWAJOS-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO Cc1nc(N2CCO[C@@H](C)CC2)nc(N)[nH+]1 ZINC000720515852 712848352 /nfs/dbraw/zinc/84/83/52/712848352.db2.gz UXZYSVKMEFVQCH-ZETCQYMHSA-N 1 2 223.280 0.377 20 0 BCADLO CNc1cc(NCC2([S@](C)=O)CC2)[nH+]cn1 ZINC000380259224 712848756 /nfs/dbraw/zinc/84/87/56/712848756.db2.gz SFEFPUPAMVTYFQ-INIZCTEOSA-N 1 2 240.332 0.263 20 0 BCADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000720581240 712854229 /nfs/dbraw/zinc/85/42/29/712854229.db2.gz GYMQWDGRBNNMQT-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cn(C)nn1 ZINC000720591987 712855685 /nfs/dbraw/zinc/85/56/85/712855685.db2.gz SSYBSBHAANNAOO-QMMMGPOBSA-N 1 2 240.307 0.617 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1c[nH+]cn1C ZINC000548585623 398138177 /nfs/dbraw/zinc/13/81/77/398138177.db2.gz KZZMZXZBTQCWEZ-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187397037 398138458 /nfs/dbraw/zinc/13/84/58/398138458.db2.gz WLEDLTQLUONYPC-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187397037 398138461 /nfs/dbraw/zinc/13/84/61/398138461.db2.gz WLEDLTQLUONYPC-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CSC1(C)C ZINC000549578433 398139714 /nfs/dbraw/zinc/13/97/14/398139714.db2.gz OVNPWGDCRCARJJ-SECBINFHSA-N 1 2 239.344 0.973 20 0 BCADLO C[C@@H](CNC(=O)Cc1cc[nH]n1)Cn1cc[nH+]c1 ZINC000267107235 538914269 /nfs/dbraw/zinc/91/42/69/538914269.db2.gz MKZLGZDZUJLCEI-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO CCC(CC)([NH2+]C[C@@H](C)O)C(=O)OC ZINC000336645212 168331687 /nfs/dbraw/zinc/33/16/87/168331687.db2.gz BFDAZYJQHJZZFE-MRVPVSSYSA-N 1 2 203.282 0.689 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ncn1 ZINC000162103041 538920485 /nfs/dbraw/zinc/92/04/85/538920485.db2.gz BHBQIPDDZQRDJK-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)C[C@H]1C ZINC000649868338 398151320 /nfs/dbraw/zinc/15/13/20/398151320.db2.gz YRIXKHXBPLKGIK-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2(C)CC2)C[C@H]1C ZINC000649868338 398151325 /nfs/dbraw/zinc/15/13/25/398151325.db2.gz YRIXKHXBPLKGIK-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)CCn1cc[nH+]c1 ZINC000299683724 398152107 /nfs/dbraw/zinc/15/21/07/398152107.db2.gz UHOJLJIZYJWJQY-NSHDSACASA-N 1 2 247.302 0.675 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2ncnn2CC)CC1=O ZINC000391462278 398154287 /nfs/dbraw/zinc/15/42/87/398154287.db2.gz ALECTCWKHOGEBQ-SECBINFHSA-N 1 2 237.307 0.008 20 0 BCADLO COCc1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649869514 398155188 /nfs/dbraw/zinc/15/51/88/398155188.db2.gz FYYVPZBKAZSWRQ-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649869514 398155192 /nfs/dbraw/zinc/15/51/92/398155192.db2.gz FYYVPZBKAZSWRQ-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H](C)CCO)[nH]1 ZINC000649869502 398155407 /nfs/dbraw/zinc/15/54/07/398155407.db2.gz FQSAOVSAJQRFHI-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H](C)CCO)[nH]1 ZINC000649869502 398155410 /nfs/dbraw/zinc/15/54/10/398155410.db2.gz FQSAOVSAJQRFHI-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnnn2C)[C@H](C)C1 ZINC000408426986 136213834 /nfs/dbraw/zinc/21/38/34/136213834.db2.gz YDRLMOIWDOHPDO-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnnn2C)[C@H](C)C1 ZINC000408426986 136213835 /nfs/dbraw/zinc/21/38/35/136213835.db2.gz YDRLMOIWDOHPDO-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339764847 398167678 /nfs/dbraw/zinc/16/76/78/398167678.db2.gz VILJBUNKMZCTMG-RYUDHWBXSA-N 1 2 243.303 0.069 20 0 BCADLO C[C@@H]1COCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408438183 398170237 /nfs/dbraw/zinc/17/02/37/398170237.db2.gz GHVXPECAHNQLGT-BDAKNGLRSA-N 1 2 236.271 0.820 20 0 BCADLO Cc1cc(C[N@@H+]2CCn3ncnc3C2)ccn1 ZINC000527537684 398171857 /nfs/dbraw/zinc/17/18/57/398171857.db2.gz FHUXJUDRHMLBLK-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cc(C[N@H+]2CCn3ncnc3C2)ccn1 ZINC000527537684 398171859 /nfs/dbraw/zinc/17/18/59/398171859.db2.gz FHUXJUDRHMLBLK-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649903195 398173087 /nfs/dbraw/zinc/17/30/87/398173087.db2.gz KSFKEIKVXYJSIY-QMMMGPOBSA-N 1 2 229.234 0.441 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649903195 398173088 /nfs/dbraw/zinc/17/30/88/398173088.db2.gz KSFKEIKVXYJSIY-QMMMGPOBSA-N 1 2 229.234 0.441 20 0 BCADLO C[C@H](O)CN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302883320 398176781 /nfs/dbraw/zinc/17/67/81/398176781.db2.gz JKXHWSQSJNGCIM-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO C[C@H](O)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302883320 398176785 /nfs/dbraw/zinc/17/67/85/398176785.db2.gz JKXHWSQSJNGCIM-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO COc1cc(C[NH+]2CCN(C(C)=O)CC2)ccn1 ZINC000339866121 398177029 /nfs/dbraw/zinc/17/70/29/398177029.db2.gz JANXVTYWKNTLIR-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO Cc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(C)s1 ZINC000408442173 398178554 /nfs/dbraw/zinc/17/85/54/398178554.db2.gz KJOOAHMYFNXFAD-UWVGGRQHSA-N 1 2 228.317 0.297 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOC ZINC000113003683 398179932 /nfs/dbraw/zinc/17/99/32/398179932.db2.gz RIZDAHVRABBSHY-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOC ZINC000113003683 398179934 /nfs/dbraw/zinc/17/99/34/398179934.db2.gz RIZDAHVRABBSHY-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO O=C(COc1ccccc1O)NCc1[nH]cc[nH+]1 ZINC000080587425 398182157 /nfs/dbraw/zinc/18/21/57/398182157.db2.gz KFARXVMZLBJCQH-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO COc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)nc1 ZINC000649342926 398160883 /nfs/dbraw/zinc/16/08/83/398160883.db2.gz XJNJIKKOSQBSND-QMMMGPOBSA-N 1 2 239.300 0.691 20 0 BCADLO CCN1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175060302 365526118 /nfs/dbraw/zinc/52/61/18/365526118.db2.gz GZOATWMKNXLGDV-LBPRGKRZSA-N 1 2 239.363 0.633 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSc2cccnn2)C1 ZINC000576223341 365527464 /nfs/dbraw/zinc/52/74/64/365527464.db2.gz XJNZWLGAJZDBFV-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@@H](CSc2cccnn2)C1 ZINC000576223341 365527470 /nfs/dbraw/zinc/52/74/70/365527470.db2.gz XJNZWLGAJZDBFV-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(CC)[nH]1 ZINC000576228100 365529801 /nfs/dbraw/zinc/52/98/01/365529801.db2.gz GFFFWIBOTTZRMU-RKDXNWHRSA-N 1 2 240.307 0.261 20 0 BCADLO Cc1cc(N(C)CC(=O)NC2CC2)nc[nH+]1 ZINC000301263139 178097089 /nfs/dbraw/zinc/09/70/89/178097089.db2.gz SRQRALKTSGSBOP-UHFFFAOYSA-N 1 2 220.276 0.500 20 0 BCADLO Cc1cc(N(C)[C@@H](C)C[S@](C)=O)nc[nH+]1 ZINC000302381387 178100610 /nfs/dbraw/zinc/10/06/10/178100610.db2.gz HZVQJPGSMCQLGV-VFZGTOFNSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1cc(N(CCO)[C@@H]2CCO[C@H]2C)nc[nH+]1 ZINC000360270357 178102063 /nfs/dbraw/zinc/10/20/63/178102063.db2.gz ZBKIMALWMSYSKX-WDEREUQCSA-N 1 2 237.303 0.761 20 0 BCADLO Cc1cc(N2CC(=O)N(C)C2)nc(C2CC2)[nH+]1 ZINC000359092645 178110683 /nfs/dbraw/zinc/11/06/83/178110683.db2.gz IUBHCRMFNKHNHZ-UHFFFAOYSA-N 1 2 232.287 0.898 20 0 BCADLO CC(C)n1ccc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000558644973 398184210 /nfs/dbraw/zinc/18/42/10/398184210.db2.gz ICWKZAJFLFQLFC-UHFFFAOYSA-N 1 2 247.302 0.977 20 0 BCADLO Cc1cc(N2CC(CC(N)=O)C2)nc[nH+]1 ZINC000360071659 178111963 /nfs/dbraw/zinc/11/19/63/178111963.db2.gz MDDLGPNKPATWID-UHFFFAOYSA-N 1 2 206.249 0.097 20 0 BCADLO CCNC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649909542 398185118 /nfs/dbraw/zinc/18/51/18/398185118.db2.gz ORMQABJRCUNNPN-NXEZZACHSA-N 1 2 242.319 0.001 20 0 BCADLO CCNC(=O)C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649909542 398185122 /nfs/dbraw/zinc/18/51/22/398185122.db2.gz ORMQABJRCUNNPN-NXEZZACHSA-N 1 2 242.319 0.001 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398340861 398200944 /nfs/dbraw/zinc/20/09/44/398200944.db2.gz MXPSZYPVKSSYTF-SCZZXKLOSA-N 1 2 210.281 0.852 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H](C)OC ZINC000182171492 136219059 /nfs/dbraw/zinc/21/90/59/136219059.db2.gz FPFBAXOBMAKWNX-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H](C)OC ZINC000182171492 136219060 /nfs/dbraw/zinc/21/90/60/136219060.db2.gz FPFBAXOBMAKWNX-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO Cc1cc(N2CC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301279483 178118187 /nfs/dbraw/zinc/11/81/87/178118187.db2.gz STCPPAITTRRCOH-MRVPVSSYSA-N 1 2 206.249 0.097 20 0 BCADLO Cc1cc(N2C[C@@H](O)C[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000364299314 178121204 /nfs/dbraw/zinc/12/12/04/178121204.db2.gz IXKVZVCNOGVPFU-MNOVXSKESA-N 1 2 249.314 0.594 20 0 BCADLO CC(C)(C)c1cnc(C[NH+]2C[C@@H](O)[C@H](O)C2)o1 ZINC000232521903 187326820 /nfs/dbraw/zinc/32/68/20/187326820.db2.gz ARVUJQASUHWQBA-RKDXNWHRSA-N 1 2 240.303 0.510 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)C2(CO)CC2)on1 ZINC000285462303 178130067 /nfs/dbraw/zinc/13/00/67/178130067.db2.gz JWCSFMNPSIRVGQ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)C2(CO)CC2)on1 ZINC000285462303 178130068 /nfs/dbraw/zinc/13/00/68/178130068.db2.gz JWCSFMNPSIRVGQ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000051770441 178131005 /nfs/dbraw/zinc/13/10/05/178131005.db2.gz FSSJPHKCMSFPHT-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000051770441 178131011 /nfs/dbraw/zinc/13/10/11/178131011.db2.gz FSSJPHKCMSFPHT-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)on1 ZINC000340913816 178133021 /nfs/dbraw/zinc/13/30/21/178133021.db2.gz HCVPFZVZDFEODZ-BDAKNGLRSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)on1 ZINC000340913816 178133023 /nfs/dbraw/zinc/13/30/23/178133023.db2.gz HCVPFZVZDFEODZ-BDAKNGLRSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)N(CCO)CCO)cc[nH+]1 ZINC000119949155 178135135 /nfs/dbraw/zinc/13/51/35/178135135.db2.gz FIASPUYTJOIHJQ-UHFFFAOYSA-N 1 2 239.275 0.209 20 0 BCADLO Cc1cc(NC(=O)N2CC(=O)N[C@H](C)C2)cc[nH+]1 ZINC000297709844 178135530 /nfs/dbraw/zinc/13/55/30/178135530.db2.gz IWYHXGFPJFDYNK-SECBINFHSA-N 1 2 248.286 0.742 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2CCCO2)[nH+]1 ZINC000649408479 398208629 /nfs/dbraw/zinc/20/86/29/398208629.db2.gz ZBESJKJOCJBDHI-SECBINFHSA-N 1 2 237.307 0.259 20 0 BCADLO Cc1nc(NC[C@H]2CCCO2)nc(N(C)C)[nH+]1 ZINC000649408479 398208633 /nfs/dbraw/zinc/20/86/33/398208633.db2.gz ZBESJKJOCJBDHI-SECBINFHSA-N 1 2 237.307 0.259 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356211703 187327845 /nfs/dbraw/zinc/32/78/45/187327845.db2.gz DYDLREIVAPEGLU-MXQLGCADSA-N 1 2 237.303 0.786 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398340860 398200610 /nfs/dbraw/zinc/20/06/10/398200610.db2.gz MXPSZYPVKSSYTF-PSASIEDQSA-N 1 2 210.281 0.852 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COC(=O)N2)cc[nH+]1 ZINC000294998945 178145695 /nfs/dbraw/zinc/14/56/95/178145695.db2.gz VNKQKPQIZOECDH-QMMMGPOBSA-N 1 2 221.216 0.437 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)NC(N)=O)cc[nH+]1 ZINC000299229921 178146458 /nfs/dbraw/zinc/14/64/58/178146458.db2.gz QBHSIHBBAHZLRX-ZETCQYMHSA-N 1 2 222.248 0.385 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(C)(C)C(N)=O ZINC000683478405 488172286 /nfs/dbraw/zinc/17/22/86/488172286.db2.gz QLNCIVAYFHDRJT-UHFFFAOYSA-N 1 2 237.259 0.540 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338962280 187328793 /nfs/dbraw/zinc/32/87/93/187328793.db2.gz GSHOLNRPUMRWPC-TXEJJXNPSA-N 1 2 237.303 0.328 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338962280 187328794 /nfs/dbraw/zinc/32/87/94/187328794.db2.gz GSHOLNRPUMRWPC-TXEJJXNPSA-N 1 2 237.303 0.328 20 0 BCADLO Cn1ncc2c1nc(N1CC[C@@H](F)C1)[nH+]c2N ZINC000649420314 398219562 /nfs/dbraw/zinc/21/95/62/398219562.db2.gz OWHYAHFVVUMGRI-ZCFIWIBFSA-N 1 2 236.254 0.494 20 0 BCADLO CCn1cnnc1NC(=O)Cc1c[nH+]cn1C ZINC000576369697 365579899 /nfs/dbraw/zinc/57/98/99/365579899.db2.gz MWLABUCRCMIUHJ-UHFFFAOYSA-N 1 2 234.263 0.213 20 0 BCADLO C([C@@H]1CCCO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429291826 192027805 /nfs/dbraw/zinc/02/78/05/192027805.db2.gz GUGIKYXVZXMBPP-QMMMGPOBSA-N 1 2 208.265 0.342 20 0 BCADLO C([C@@H]1CCCO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429291826 192027807 /nfs/dbraw/zinc/02/78/07/192027807.db2.gz GUGIKYXVZXMBPP-QMMMGPOBSA-N 1 2 208.265 0.342 20 0 BCADLO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)ncn1 ZINC000301802378 178167252 /nfs/dbraw/zinc/16/72/52/178167252.db2.gz WZRGHZOKLNMQSE-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BCADLO Cc1cc(NC[C@@H]2CC[C@@H](C(N)=O)O2)nc[nH+]1 ZINC000301648261 178167691 /nfs/dbraw/zinc/16/76/91/178167691.db2.gz OSPDDYYMPUSKJP-IUCAKERBSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1cc(NC[C@H](O)[C@@H]2CCOC2)nc[nH+]1 ZINC000309701248 178168564 /nfs/dbraw/zinc/16/85/64/178168564.db2.gz MRNJORNCGZNCIS-ZJUUUORDSA-N 1 2 223.276 0.594 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCOC1 ZINC000584241233 398221119 /nfs/dbraw/zinc/22/11/19/398221119.db2.gz GLCQLAYHFUBPFB-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCOC1 ZINC000584241233 398221120 /nfs/dbraw/zinc/22/11/20/398221120.db2.gz GLCQLAYHFUBPFB-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCOC1 ZINC000584241234 398221214 /nfs/dbraw/zinc/22/12/14/398221214.db2.gz GLCQLAYHFUBPFB-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCOC1 ZINC000584241234 398221217 /nfs/dbraw/zinc/22/12/17/398221217.db2.gz GLCQLAYHFUBPFB-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](C(=O)Nc1cn[nH]c1)[NH+]1CC(C)C1 ZINC000576409535 365589177 /nfs/dbraw/zinc/58/91/77/365589177.db2.gz XAODIEOZLDLBKW-QMMMGPOBSA-N 1 2 208.265 0.688 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC000516783643 259302139 /nfs/dbraw/zinc/30/21/39/259302139.db2.gz DLGLUEYFEXRBQO-NGZCFLSTSA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)O ZINC000516783643 259302141 /nfs/dbraw/zinc/30/21/41/259302141.db2.gz DLGLUEYFEXRBQO-NGZCFLSTSA-N 1 2 239.319 0.864 20 0 BCADLO COCCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276415436 538932629 /nfs/dbraw/zinc/93/26/29/538932629.db2.gz JEBZBHOUPKUPPB-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO Cc1cc(Nc2cnn(CC(N)=O)c2)nc(C)[nH+]1 ZINC000131659460 178194109 /nfs/dbraw/zinc/19/41/09/178194109.db2.gz QQVLLSBQHJAKEP-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO COCCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276415436 538932630 /nfs/dbraw/zinc/93/26/30/538932630.db2.gz JEBZBHOUPKUPPB-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CNS(=O)(=O)CC[NH2+]Cc1csc(C)n1 ZINC000190310366 398227393 /nfs/dbraw/zinc/22/73/93/398227393.db2.gz XJYVAZSFUOZYLG-UHFFFAOYSA-N 1 2 249.361 0.090 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000650051455 398227407 /nfs/dbraw/zinc/22/74/07/398227407.db2.gz GVNAZKCSVSSSGB-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000650051455 398227410 /nfs/dbraw/zinc/22/74/10/398227410.db2.gz GVNAZKCSVSSSGB-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO CCN(CC(C)(C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC000276485154 538932503 /nfs/dbraw/zinc/93/25/03/538932503.db2.gz SSXUBEPCXVBEKT-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CCN(CC(C)(C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC000276485154 538932505 /nfs/dbraw/zinc/93/25/05/538932505.db2.gz SSXUBEPCXVBEKT-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184144 136224155 /nfs/dbraw/zinc/22/41/55/136224155.db2.gz GNINWXMWVSVRFW-DTWKUNHWSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184144 136224156 /nfs/dbraw/zinc/22/41/56/136224156.db2.gz GNINWXMWVSVRFW-DTWKUNHWSA-N 1 2 232.349 0.503 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421358982 192332675 /nfs/dbraw/zinc/33/26/75/192332675.db2.gz DTRWNFDLIAGPJU-SNVBAGLBSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421358982 192332676 /nfs/dbraw/zinc/33/26/76/192332676.db2.gz DTRWNFDLIAGPJU-SNVBAGLBSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421359924 192332795 /nfs/dbraw/zinc/33/27/95/192332795.db2.gz HNPQPSRHTDRVJD-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421359924 192332797 /nfs/dbraw/zinc/33/27/97/192332797.db2.gz HNPQPSRHTDRVJD-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CC1 ZINC000048463744 343988915 /nfs/dbraw/zinc/98/89/15/343988915.db2.gz UDSVJNSSADHWEX-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)on1 ZINC000334254626 136225026 /nfs/dbraw/zinc/22/50/26/136225026.db2.gz KUHNPQHZPYMKHF-SECBINFHSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)on1 ZINC000334254626 136225027 /nfs/dbraw/zinc/22/50/27/136225027.db2.gz KUHNPQHZPYMKHF-SECBINFHSA-N 1 2 223.276 0.759 20 0 BCADLO COCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037188 136225466 /nfs/dbraw/zinc/22/54/66/136225466.db2.gz HFNOFSZEUSSLMC-UHFFFAOYSA-N 1 2 236.275 0.101 20 0 BCADLO COCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037188 136225467 /nfs/dbraw/zinc/22/54/67/136225467.db2.gz HFNOFSZEUSSLMC-UHFFFAOYSA-N 1 2 236.275 0.101 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC(=O)N1C ZINC000334459516 136225783 /nfs/dbraw/zinc/22/57/83/136225783.db2.gz SMWMONFNDQECHJ-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)[nH]c1C ZINC000602439404 349525115 /nfs/dbraw/zinc/52/51/15/349525115.db2.gz CKCAWZAPSMMKRD-UHFFFAOYSA-N 1 2 239.275 0.027 20 0 BCADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)[nH]c1C ZINC000602439404 349525117 /nfs/dbraw/zinc/52/51/17/349525117.db2.gz CKCAWZAPSMMKRD-UHFFFAOYSA-N 1 2 239.275 0.027 20 0 BCADLO COC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000281089691 538938368 /nfs/dbraw/zinc/93/83/68/538938368.db2.gz FTKNPEURMHVERO-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO COC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000281089691 538938369 /nfs/dbraw/zinc/93/83/69/538938369.db2.gz FTKNPEURMHVERO-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO CCOC(=O)C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602442734 349528406 /nfs/dbraw/zinc/52/84/06/349528406.db2.gz WQUCFOJIAHIOGA-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CCOC(=O)C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602442734 349528410 /nfs/dbraw/zinc/52/84/10/349528410.db2.gz WQUCFOJIAHIOGA-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281440523 538939124 /nfs/dbraw/zinc/93/91/24/538939124.db2.gz CNMOTOXLQXYQFI-KXMPLOMGSA-N 1 2 237.303 0.786 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281440523 538939126 /nfs/dbraw/zinc/93/91/26/538939126.db2.gz CNMOTOXLQXYQFI-KXMPLOMGSA-N 1 2 237.303 0.786 20 0 BCADLO CC[N@H+](CCO)[C@@H](C)c1nnnn1C1CC1 ZINC000191992436 398247041 /nfs/dbraw/zinc/24/70/41/398247041.db2.gz HKMZCZYYAIOCEQ-QMMMGPOBSA-N 1 2 225.296 0.383 20 0 BCADLO CC[N@@H+](CCO)[C@@H](C)c1nnnn1C1CC1 ZINC000191992436 398247044 /nfs/dbraw/zinc/24/70/44/398247044.db2.gz HKMZCZYYAIOCEQ-QMMMGPOBSA-N 1 2 225.296 0.383 20 0 BCADLO COC[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000576632832 365643510 /nfs/dbraw/zinc/64/35/10/365643510.db2.gz JQZFYXNVADNGEB-SECBINFHSA-N 1 2 211.265 0.282 20 0 BCADLO CC(C)(C(=O)N[C@H]1[C@@H]2COC[C@@H]21)c1c[nH]c[nH+]1 ZINC000621986842 370645830 /nfs/dbraw/zinc/64/58/30/370645830.db2.gz AVVUWHHMENMFCP-MBTKJCJQSA-N 1 2 235.287 0.448 20 0 BCADLO Cc1ocnc1C(=O)NCc1c[nH+]cn1C ZINC000291201882 538947302 /nfs/dbraw/zinc/94/73/02/538947302.db2.gz LHTZORYJRAPEAQ-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000291272039 538947306 /nfs/dbraw/zinc/94/73/06/538947306.db2.gz ZVBHKELMXHSEQB-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC[C@H]1CCOC1 ZINC000291330341 538947308 /nfs/dbraw/zinc/94/73/08/538947308.db2.gz VMTKDTCXOPZEAP-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO Cc1nnccc1C(=O)NCc1c[nH+]cn1C ZINC000291424037 538947906 /nfs/dbraw/zinc/94/79/06/538947906.db2.gz KWMLTOIRXHRMOR-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO COC(=O)CN(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602443404 349544540 /nfs/dbraw/zinc/54/45/40/349544540.db2.gz UUVSKQCAEWMYDS-NSHDSACASA-N 1 2 237.303 0.976 20 0 BCADLO Cc1cc(NC(=O)NC2(CO)CC2)c(C)c[nH+]1 ZINC000576774212 365684003 /nfs/dbraw/zinc/68/40/03/365684003.db2.gz VSXFUTQRLWCANJ-UHFFFAOYSA-N 1 2 235.287 0.767 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CCC1 ZINC000335085205 136232712 /nfs/dbraw/zinc/23/27/12/136232712.db2.gz UZAXSXXPDXAMFL-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CCC1 ZINC000335085205 136232713 /nfs/dbraw/zinc/23/27/13/136232713.db2.gz UZAXSXXPDXAMFL-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO COC[C@@]1(C)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000626176693 346826473 /nfs/dbraw/zinc/82/64/73/346826473.db2.gz VBLWGNXULSFHRU-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000649468946 398268154 /nfs/dbraw/zinc/26/81/54/398268154.db2.gz PJDRROVRUFVCHR-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000649468946 398268155 /nfs/dbraw/zinc/26/81/55/398268155.db2.gz PJDRROVRUFVCHR-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccoc2)CC[N@@H+]1CCO ZINC000188712777 346835347 /nfs/dbraw/zinc/83/53/47/346835347.db2.gz VALGVFSILXNTPQ-SNVBAGLBSA-N 1 2 238.287 0.418 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccoc2)CC[N@H+]1CCO ZINC000188712777 346835351 /nfs/dbraw/zinc/83/53/51/346835351.db2.gz VALGVFSILXNTPQ-SNVBAGLBSA-N 1 2 238.287 0.418 20 0 BCADLO CCC[C@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473769 398272120 /nfs/dbraw/zinc/27/21/20/398272120.db2.gz DXINSURFKNIPCO-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473769 398272121 /nfs/dbraw/zinc/27/21/21/398272121.db2.gz DXINSURFKNIPCO-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO COCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000053258032 346848804 /nfs/dbraw/zinc/84/88/04/346848804.db2.gz NJGPKGKNHZSXFX-UHFFFAOYSA-N 1 2 201.266 0.708 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCOC)C(=O)OC ZINC000053258562 346850506 /nfs/dbraw/zinc/85/05/06/346850506.db2.gz FDIYAMUYADBOAP-DTWKUNHWSA-N 1 2 203.282 0.810 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cocn2)C1 ZINC000600193013 342698379 /nfs/dbraw/zinc/69/83/79/342698379.db2.gz SCPABZFWPLOMPN-LLVKDONJSA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cocn2)C1 ZINC000600193013 342698380 /nfs/dbraw/zinc/69/83/80/342698380.db2.gz SCPABZFWPLOMPN-LLVKDONJSA-N 1 2 240.259 0.439 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600223991 342713988 /nfs/dbraw/zinc/71/39/88/342713988.db2.gz CMEMARZBEVTGRV-QMMMGPOBSA-N 1 2 238.291 0.283 20 0 BCADLO CN1CCC[C@@H]1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000649480127 398277491 /nfs/dbraw/zinc/27/74/91/398277491.db2.gz VAOAPRRPPSLHGQ-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO CN1CCC[C@@H]1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000649480127 398277493 /nfs/dbraw/zinc/27/74/93/398277493.db2.gz VAOAPRRPPSLHGQ-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO Cc1cc(CNC(=O)[C@H]2CC(=O)N2)cc(C)[nH+]1 ZINC000616363127 342721536 /nfs/dbraw/zinc/72/15/36/342721536.db2.gz IJIWHQKBAIIMNT-SNVBAGLBSA-N 1 2 233.271 0.203 20 0 BCADLO CCNC(=O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000602592581 349615813 /nfs/dbraw/zinc/61/58/13/349615813.db2.gz DJCFZKAJNQIYTM-UHFFFAOYSA-N 1 2 234.303 0.926 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](O)COC(C)C)no1 ZINC000231803306 342739702 /nfs/dbraw/zinc/73/97/02/342739702.db2.gz GTWYJABUUDPKLR-SECBINFHSA-N 1 2 229.280 0.254 20 0 BCADLO COC(=O)[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000309654827 342776718 /nfs/dbraw/zinc/77/67/18/342776718.db2.gz PHQUQGKBGGLSLJ-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO Cn1ncnc1C[N@H+](CCO)CC(C)(C)C ZINC000607724335 342780733 /nfs/dbraw/zinc/78/07/33/342780733.db2.gz DSVBGJKQWDUOQO-UHFFFAOYSA-N 1 2 226.324 0.656 20 0 BCADLO Cn1ncnc1C[N@@H+](CCO)CC(C)(C)C ZINC000607724335 342780734 /nfs/dbraw/zinc/78/07/34/342780734.db2.gz DSVBGJKQWDUOQO-UHFFFAOYSA-N 1 2 226.324 0.656 20 0 BCADLO COc1ccc(CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000007449573 342791472 /nfs/dbraw/zinc/79/14/72/342791472.db2.gz JDSRMROFNUNMLY-UHFFFAOYSA-N 1 2 234.299 0.670 20 0 BCADLO COc1ccc(CC[N@H+]2CCNC(=O)C2)cc1 ZINC000007449573 342791473 /nfs/dbraw/zinc/79/14/73/342791473.db2.gz JDSRMROFNUNMLY-UHFFFAOYSA-N 1 2 234.299 0.670 20 0 BCADLO Cc1nc(N[C@H]2C[C@H](C(N)=O)C2)cc[nH+]1 ZINC000624541195 344003499 /nfs/dbraw/zinc/00/34/99/344003499.db2.gz TZANKKPAVDYVIJ-ZKCHVHJHSA-N 1 2 206.249 0.461 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)OC ZINC000172771498 346863984 /nfs/dbraw/zinc/86/39/84/346863984.db2.gz LXRRMYOLLOLCEA-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)OC ZINC000172771498 346863985 /nfs/dbraw/zinc/86/39/85/346863985.db2.gz LXRRMYOLLOLCEA-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649495035 398292671 /nfs/dbraw/zinc/29/26/71/398292671.db2.gz DQXTWLGKJOGZNN-LBPRGKRZSA-N 1 2 248.330 0.540 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649495035 398292672 /nfs/dbraw/zinc/29/26/72/398292672.db2.gz DQXTWLGKJOGZNN-LBPRGKRZSA-N 1 2 248.330 0.540 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1C ZINC000189268972 346865399 /nfs/dbraw/zinc/86/53/99/346865399.db2.gz BWRMYWPWDZGEEX-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1C ZINC000189268972 346865402 /nfs/dbraw/zinc/86/54/02/346865402.db2.gz BWRMYWPWDZGEEX-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NC2CC2)on1 ZINC000044991758 538990680 /nfs/dbraw/zinc/99/06/80/538990680.db2.gz WNPIOWFHWBSXAD-UHFFFAOYSA-N 1 2 209.249 0.351 20 0 BCADLO CN(Cc1cn[nH]c1)C(=O)Cn1cc[nH+]c1 ZINC000380704806 538992472 /nfs/dbraw/zinc/99/24/72/538992472.db2.gz LRLONCFLZGMTOM-UHFFFAOYSA-N 1 2 219.248 0.265 20 0 BCADLO CN(C)c1noc(C[NH2+][C@@H]2CCCOC2)n1 ZINC000191898726 538993321 /nfs/dbraw/zinc/99/33/21/538993321.db2.gz NDIJKEHEYJQSNW-MRVPVSSYSA-N 1 2 226.280 0.404 20 0 BCADLO COc1ccc[nH+]c1N[C@H]1C[C@H](C(N)=O)C1 ZINC000624542804 344004479 /nfs/dbraw/zinc/00/44/79/344004479.db2.gz XSSPGRHWFASGKF-ZKCHVHJHSA-N 1 2 221.260 0.766 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000634414988 361934257 /nfs/dbraw/zinc/93/42/57/361934257.db2.gz BFEYWSYKSKCQPJ-QRTLGDNMSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000634414988 361934261 /nfs/dbraw/zinc/93/42/61/361934261.db2.gz BFEYWSYKSKCQPJ-QRTLGDNMSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@H](CC(=O)N[C@H]1CCC[C@@H]1O)n1cc[nH+]c1 ZINC000634415744 361935438 /nfs/dbraw/zinc/93/54/38/361935438.db2.gz ICBLFIIQNQAABS-VWYCJHECSA-N 1 2 237.303 0.864 20 0 BCADLO CCc1cc(NCCc2cn[nH]c2)nc[nH+]1 ZINC000381199920 538996222 /nfs/dbraw/zinc/99/62/22/538996222.db2.gz BXOXNMJQDWNOJT-UHFFFAOYSA-N 1 2 217.276 0.839 20 0 BCADLO CC(C)(CNc1cc[nH+]cc1F)S(C)(=O)=O ZINC000381255832 538997183 /nfs/dbraw/zinc/99/71/83/538997183.db2.gz QTTAPZSQDOEDLV-UHFFFAOYSA-N 1 2 246.307 0.878 20 0 BCADLO Cc1cc(NC[C@H]2CCCC(=O)N2)nc[nH+]1 ZINC000381312066 538998347 /nfs/dbraw/zinc/99/83/47/538998347.db2.gz AKPCYTYOANMGQR-SECBINFHSA-N 1 2 220.276 0.288 20 0 BCADLO COc1ccc(NCc2cnnn2C)[nH+]c1 ZINC000390587924 539026546 /nfs/dbraw/zinc/02/65/46/539026546.db2.gz YNWHAULICOOCHT-UHFFFAOYSA-N 1 2 219.248 0.253 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1c(O)cccc1O ZINC000388456808 539014426 /nfs/dbraw/zinc/01/44/26/539014426.db2.gz YLZQAAXTCSONMD-UHFFFAOYSA-N 1 2 247.254 0.761 20 0 BCADLO Cc1nnc2c(NCc3c[nH+]cn3C)nccn12 ZINC000388504378 539014751 /nfs/dbraw/zinc/01/47/51/539014751.db2.gz NQUGRHUGFQVQIO-UHFFFAOYSA-N 1 2 243.274 0.200 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000389740421 539017240 /nfs/dbraw/zinc/01/72/40/539017240.db2.gz YMMLQPPJKWSZOS-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000389740421 539017242 /nfs/dbraw/zinc/01/72/42/539017242.db2.gz YMMLQPPJKWSZOS-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO O=C(c1ncccc1O)N1CC[NH+](C2CC2)CC1 ZINC000042491132 362003029 /nfs/dbraw/zinc/00/30/29/362003029.db2.gz XQZFNZHTHOVCQN-UHFFFAOYSA-N 1 2 247.298 0.707 20 0 BCADLO Cc1cnn(Cc2cn(Cc3[nH]cc[nH+]3)nn2)c1 ZINC000640754831 361992143 /nfs/dbraw/zinc/99/21/43/361992143.db2.gz ONBIOEXDTQWYDX-UHFFFAOYSA-N 1 2 243.274 0.603 20 0 BCADLO COCCOCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000536605914 398303778 /nfs/dbraw/zinc/30/37/78/398303778.db2.gz NGCPHGMUZHMTIX-GFCCVEGCSA-N 1 2 245.319 0.581 20 0 BCADLO Cc1nccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000351260405 136244130 /nfs/dbraw/zinc/24/41/30/136244130.db2.gz KNQOBPIROAODSF-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COc1cncc(C[N@@H+]2CCCOCC2)n1 ZINC000625116271 342875139 /nfs/dbraw/zinc/87/51/39/342875139.db2.gz GWHPOFYODWBQQL-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO COc1cncc(C[N@H+]2CCCOCC2)n1 ZINC000625116271 342875141 /nfs/dbraw/zinc/87/51/41/342875141.db2.gz GWHPOFYODWBQQL-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000232857866 342886894 /nfs/dbraw/zinc/88/68/94/342886894.db2.gz SBQAMMLBOLHBSP-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CCC(=O)CCC[N@H+]1CCN(C)C(=O)C1 ZINC000232857866 342886895 /nfs/dbraw/zinc/88/68/95/342886895.db2.gz SBQAMMLBOLHBSP-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO C[C@H](N(C)C(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394845047 342887374 /nfs/dbraw/zinc/88/73/74/342887374.db2.gz HWRLPNDZVMPWFV-VIFPVBQESA-N 1 2 225.292 0.501 20 0 BCADLO CC(=O)[C@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000037329166 342927648 /nfs/dbraw/zinc/92/76/48/342927648.db2.gz LLVCZWLOAUKQSW-LLVKDONJSA-N 1 2 223.276 0.613 20 0 BCADLO Nc1n[nH]c(SCCn2cc[nH+]c2)n1 ZINC000037022593 342916443 /nfs/dbraw/zinc/91/64/43/342916443.db2.gz DQXWYRLWWYZFIN-UHFFFAOYSA-N 1 2 210.266 0.376 20 0 BCADLO CC[C@]1(O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493703770 529434183 /nfs/dbraw/zinc/43/41/83/529434183.db2.gz GBQNMPKKKVBZSS-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO COC(=O)[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C1CC1 ZINC000602635294 349650474 /nfs/dbraw/zinc/65/04/74/349650474.db2.gz QUQMNFQSQHPDHN-LLVKDONJSA-N 1 2 236.271 0.828 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)c1cccn1C ZINC000353434338 398328730 /nfs/dbraw/zinc/32/87/30/398328730.db2.gz RNUWCCKGRFUIQI-UHFFFAOYSA-N 1 2 246.270 0.590 20 0 BCADLO CCOC1CC(C[NH2+][C@H](COC)C(=O)OC)C1 ZINC000602636987 349651456 /nfs/dbraw/zinc/65/14/56/349651456.db2.gz VXLKPLSBTCCUDN-VQXHTEKXSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602637053 349651504 /nfs/dbraw/zinc/65/15/04/349651504.db2.gz BAYVYKAZGUPNCQ-MRVPVSSYSA-N 1 2 224.260 0.781 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602637053 349651506 /nfs/dbraw/zinc/65/15/06/349651506.db2.gz BAYVYKAZGUPNCQ-MRVPVSSYSA-N 1 2 224.260 0.781 20 0 BCADLO O=c1c2c([nH]n1C1CCCC1)CC[NH2+]C2 ZINC000634588562 342934482 /nfs/dbraw/zinc/93/44/82/342934482.db2.gz XERMIBWYJZCBDW-SECBINFHSA-N 1 2 207.277 0.737 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000602643664 349656313 /nfs/dbraw/zinc/65/63/13/349656313.db2.gz HERCKPLIUINHJF-KOLCDFICSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1nc(NC[C@@H]2CCCCO2)nc(N)[nH+]1 ZINC000304471238 398336769 /nfs/dbraw/zinc/33/67/69/398336769.db2.gz NJYRDRHJNNYMLB-QMMMGPOBSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCCO2)[nH+]1 ZINC000304471238 398336770 /nfs/dbraw/zinc/33/67/70/398336770.db2.gz NJYRDRHJNNYMLB-QMMMGPOBSA-N 1 2 223.280 0.743 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CCC1CC1 ZINC000304542609 398337336 /nfs/dbraw/zinc/33/73/36/398337336.db2.gz WCXWLMOSOILWFG-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125792254 398339472 /nfs/dbraw/zinc/33/94/72/398339472.db2.gz RYBSFLMWCGFKRC-MRVPVSSYSA-N 1 2 222.292 0.245 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2n[nH]cc2C1 ZINC000125792254 398339473 /nfs/dbraw/zinc/33/94/73/398339473.db2.gz RYBSFLMWCGFKRC-MRVPVSSYSA-N 1 2 222.292 0.245 20 0 BCADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)o1 ZINC000123426225 398338036 /nfs/dbraw/zinc/33/80/36/398338036.db2.gz YMUPSBZSDJGDBF-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)o1 ZINC000123426225 398338037 /nfs/dbraw/zinc/33/80/37/398338037.db2.gz YMUPSBZSDJGDBF-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO CSCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355126594 398331555 /nfs/dbraw/zinc/33/15/55/398331555.db2.gz FSTYSRLCIVXLKL-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO C[C@@H]1CC[C@H]2C(=O)N(CC[NH+](C)C)N=C12 ZINC000634590377 342937524 /nfs/dbraw/zinc/93/75/24/342937524.db2.gz XMOPNRODNLBXLA-RKDXNWHRSA-N 1 2 209.293 0.792 20 0 BCADLO C[C@@H]1CCc2c(=O)n(CC[NH+](C)C)[nH]c21 ZINC000634590377 342937526 /nfs/dbraw/zinc/93/75/26/342937526.db2.gz XMOPNRODNLBXLA-RKDXNWHRSA-N 1 2 209.293 0.792 20 0 BCADLO O=c1c2c([nH]n1Cc1cccnc1)CC[NH2+]C2 ZINC000634592614 342946453 /nfs/dbraw/zinc/94/64/53/342946453.db2.gz OZOAHWLTNGCREM-SNVBAGLBSA-N 1 2 230.271 0.389 20 0 BCADLO CS[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171755566 398343358 /nfs/dbraw/zinc/34/33/58/398343358.db2.gz BOVYNQGAAXJGAV-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO CC[C@@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493109440 529509754 /nfs/dbraw/zinc/50/97/54/529509754.db2.gz VXLAHDBZJOXBAY-SGUJLRQBSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000351803242 136253982 /nfs/dbraw/zinc/25/39/82/136253982.db2.gz NIYINBHSKBJYQC-GHMZBOCLSA-N 1 2 226.320 0.481 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCCCO ZINC000492253520 529553821 /nfs/dbraw/zinc/55/38/21/529553821.db2.gz SGFFANNVSUABGN-SNAWJCMRSA-N 1 2 223.276 0.415 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C[C@@H](C)O ZINC000492980679 529556780 /nfs/dbraw/zinc/55/67/80/529556780.db2.gz HIDCOEBFDBVPCL-WWQCOOJYSA-N 1 2 237.303 0.755 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@H](C)CO ZINC000493653963 529556814 /nfs/dbraw/zinc/55/68/14/529556814.db2.gz ZAGCTJHVAVZMMA-WWQCOOJYSA-N 1 2 237.303 0.755 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NOCCOC ZINC000492956882 529559362 /nfs/dbraw/zinc/55/93/62/529559362.db2.gz RHQMRYOBCQMRNV-PLNGDYQASA-N 1 2 239.275 0.610 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602766497 349722618 /nfs/dbraw/zinc/72/26/18/349722618.db2.gz LZWWYOAFTMJMBQ-ZYHUDNBSSA-N 1 2 245.319 0.003 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602766497 349722620 /nfs/dbraw/zinc/72/26/20/349722620.db2.gz LZWWYOAFTMJMBQ-ZYHUDNBSSA-N 1 2 245.319 0.003 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000602769525 349723892 /nfs/dbraw/zinc/72/38/92/349723892.db2.gz ZGUVOUWXWKIKCN-SNVBAGLBSA-N 1 2 224.308 0.129 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000602769525 349723897 /nfs/dbraw/zinc/72/38/97/349723897.db2.gz ZGUVOUWXWKIKCN-SNVBAGLBSA-N 1 2 224.308 0.129 20 0 BCADLO CCC[N@H+](CCN(C#N)CC)CC(=O)N(C)C ZINC000602769994 349725334 /nfs/dbraw/zinc/72/53/34/349725334.db2.gz YJXOEOQHIVFCDY-UHFFFAOYSA-N 1 2 240.351 0.590 20 0 BCADLO CCC[N@@H+](CCN(C#N)CC)CC(=O)N(C)C ZINC000602769994 349725336 /nfs/dbraw/zinc/72/53/36/349725336.db2.gz YJXOEOQHIVFCDY-UHFFFAOYSA-N 1 2 240.351 0.590 20 0 BCADLO COC(=O)c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000394088380 344021849 /nfs/dbraw/zinc/02/18/49/344021849.db2.gz YYNROQJRWIYMAQ-UHFFFAOYSA-N 1 2 248.242 0.517 20 0 BCADLO Cc1cnccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634605962 343001397 /nfs/dbraw/zinc/00/13/97/343001397.db2.gz COTYLCLTWHEDFA-SECBINFHSA-N 1 2 230.271 0.702 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000602778155 349745217 /nfs/dbraw/zinc/74/52/17/349745217.db2.gz CEBARNBAAQVKEL-SFYZADRCSA-N 1 2 242.275 0.835 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000602778155 349745219 /nfs/dbraw/zinc/74/52/19/349745219.db2.gz CEBARNBAAQVKEL-SFYZADRCSA-N 1 2 242.275 0.835 20 0 BCADLO CC(C)(O)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359389326 187216769 /nfs/dbraw/zinc/21/67/69/187216769.db2.gz FNFGAUBVYRAXGI-QMMMGPOBSA-N 1 2 237.303 0.544 20 0 BCADLO CC(C)(O)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359389326 187216771 /nfs/dbraw/zinc/21/67/71/187216771.db2.gz FNFGAUBVYRAXGI-QMMMGPOBSA-N 1 2 237.303 0.544 20 0 BCADLO CCN(C#N)CC[N@H+](C)CC(=O)N(CC)CC ZINC000602759954 349732036 /nfs/dbraw/zinc/73/20/36/349732036.db2.gz SPSVXEUBZJBYNH-UHFFFAOYSA-N 1 2 240.351 0.590 20 0 BCADLO CCN(C#N)CC[N@@H+](C)CC(=O)N(CC)CC ZINC000602759954 349732039 /nfs/dbraw/zinc/73/20/39/349732039.db2.gz SPSVXEUBZJBYNH-UHFFFAOYSA-N 1 2 240.351 0.590 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncnn1C ZINC000518365172 259340420 /nfs/dbraw/zinc/34/04/20/259340420.db2.gz CEPCCTDPLKNOBV-RITPCOANSA-N 1 2 238.213 0.389 20 0 BCADLO CC(C)OCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634619527 343016980 /nfs/dbraw/zinc/01/69/80/343016980.db2.gz BNCVFLKOBOQEER-SECBINFHSA-N 1 2 225.292 0.219 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000602823527 349763505 /nfs/dbraw/zinc/76/35/05/349763505.db2.gz UYQVSYYZZCAHKB-BZNIZROVSA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000602823527 349763509 /nfs/dbraw/zinc/76/35/09/349763509.db2.gz UYQVSYYZZCAHKB-BZNIZROVSA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOCC12CC2 ZINC000602824330 349763910 /nfs/dbraw/zinc/76/39/10/349763910.db2.gz APAJTXREFYMPKP-UHFFFAOYSA-N 1 2 209.293 0.654 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOCC12CC2 ZINC000602824330 349763911 /nfs/dbraw/zinc/76/39/11/349763911.db2.gz APAJTXREFYMPKP-UHFFFAOYSA-N 1 2 209.293 0.654 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1cnccn1 ZINC000309815627 343018860 /nfs/dbraw/zinc/01/88/60/343018860.db2.gz VFQKRRDESMGXRA-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1cnccn1 ZINC000309815627 343018862 /nfs/dbraw/zinc/01/88/62/343018862.db2.gz VFQKRRDESMGXRA-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO CC(C)[N@H+](Cc1ncnn1C)[C@H]1CCOC1 ZINC000361419781 187218183 /nfs/dbraw/zinc/21/81/83/187218183.db2.gz HNDCKEXBLXWILB-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1ncnn1C)[C@H]1CCOC1 ZINC000361419781 187218185 /nfs/dbraw/zinc/21/81/85/187218185.db2.gz HNDCKEXBLXWILB-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(C)=O ZINC000602817059 349758386 /nfs/dbraw/zinc/75/83/86/349758386.db2.gz RZRDVXKLCNNUTQ-MXWKQRLJSA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(C)=O ZINC000602817059 349758390 /nfs/dbraw/zinc/75/83/90/349758390.db2.gz RZRDVXKLCNNUTQ-MXWKQRLJSA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(C)=O ZINC000602817058 349758941 /nfs/dbraw/zinc/75/89/41/349758941.db2.gz RZRDVXKLCNNUTQ-DCAQKATOSA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(C)=O ZINC000602817058 349758945 /nfs/dbraw/zinc/75/89/45/349758945.db2.gz RZRDVXKLCNNUTQ-DCAQKATOSA-N 1 2 225.288 0.849 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1csnn1 ZINC000602844459 349781064 /nfs/dbraw/zinc/78/10/64/349781064.db2.gz RPXFKDKUOSNAJZ-MRVPVSSYSA-N 1 2 225.321 0.992 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000602843909 349781209 /nfs/dbraw/zinc/78/12/09/349781209.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000602843909 349781214 /nfs/dbraw/zinc/78/12/14/349781214.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000602843909 349781220 /nfs/dbraw/zinc/78/12/20/349781220.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000602843909 349781223 /nfs/dbraw/zinc/78/12/23/349781223.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000602843909 349781227 /nfs/dbraw/zinc/78/12/27/349781227.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000602843909 349781231 /nfs/dbraw/zinc/78/12/31/349781231.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 1 2 248.334 0.705 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000375802635 187224909 /nfs/dbraw/zinc/22/49/09/187224909.db2.gz VKFZIONAECVBEZ-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000375802635 187224911 /nfs/dbraw/zinc/22/49/11/187224911.db2.gz VKFZIONAECVBEZ-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO Cc1cc(NC(=O)N[C@H](C)C(N)=O)c(C)c[nH+]1 ZINC000678097257 488197261 /nfs/dbraw/zinc/19/72/61/488197261.db2.gz VWTVSZFCVPMPAA-MRVPVSSYSA-N 1 2 236.275 0.116 20 0 BCADLO CC1(C)OCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634632465 343043866 /nfs/dbraw/zinc/04/38/66/343043866.db2.gz RTUAVJJNTFHCLT-WPRPVWTQSA-N 1 2 237.303 0.362 20 0 BCADLO CC(C)OC[C@@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000634650539 343061077 /nfs/dbraw/zinc/06/10/77/343061077.db2.gz OLRPBFVYMLQINA-NSHDSACASA-N 1 2 229.320 0.637 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000046171226 343067337 /nfs/dbraw/zinc/06/73/37/343067337.db2.gz GJHXWLMXMDUNDL-LLVKDONJSA-N 1 2 247.298 0.575 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000046171226 343067338 /nfs/dbraw/zinc/06/73/38/343067338.db2.gz GJHXWLMXMDUNDL-LLVKDONJSA-N 1 2 247.298 0.575 20 0 BCADLO Cc1cc(NC(=O)N(C)C[C@H](C)O)c(C)c[nH+]1 ZINC000678097350 488197708 /nfs/dbraw/zinc/19/77/08/488197708.db2.gz AXPKJCHNYMJAAC-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO Cn1cnc(C[NH2+]C[C@@H](O)CC2CCCC2)n1 ZINC000236130913 343083258 /nfs/dbraw/zinc/08/32/58/343083258.db2.gz XLIAKIBJEKMMTB-NSHDSACASA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000175100062 362026269 /nfs/dbraw/zinc/02/62/69/362026269.db2.gz NYDKTBKEAXPAOD-UWVGGRQHSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000175100062 362026271 /nfs/dbraw/zinc/02/62/71/362026271.db2.gz NYDKTBKEAXPAOD-UWVGGRQHSA-N 1 2 244.360 0.281 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccn[nH]1 ZINC000565213471 323033698 /nfs/dbraw/zinc/03/36/98/323033698.db2.gz NBGJVQFRAGGUNV-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCCSC2)n1 ZINC000236099182 343074565 /nfs/dbraw/zinc/07/45/65/343074565.db2.gz OKQSATZWBXXYNH-SSDOTTSWSA-N 1 2 213.310 0.195 20 0 BCADLO Cn1ccc(-c2noc(CCc3c[nH]c[nH+]3)n2)n1 ZINC000634669162 343096563 /nfs/dbraw/zinc/09/65/63/343096563.db2.gz XHJSLOPFIJGDLX-UHFFFAOYSA-N 1 2 244.258 0.978 20 0 BCADLO Cn1ccc(-c2noc(CCc3c[nH+]c[nH]3)n2)n1 ZINC000634669162 343096566 /nfs/dbraw/zinc/09/65/66/343096566.db2.gz XHJSLOPFIJGDLX-UHFFFAOYSA-N 1 2 244.258 0.978 20 0 BCADLO Cn1ccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)n1 ZINC000634668536 343095696 /nfs/dbraw/zinc/09/56/96/343095696.db2.gz AGDYOBQXGCSWGN-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO Cn1ccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)n1 ZINC000634668536 343095698 /nfs/dbraw/zinc/09/56/98/343095698.db2.gz AGDYOBQXGCSWGN-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO Cn1cc[nH+]c1Cn1cc(CCCCCO)nn1 ZINC000640952937 362096407 /nfs/dbraw/zinc/09/64/07/362096407.db2.gz FIGREKFOYYZEAA-UHFFFAOYSA-N 1 2 249.318 0.765 20 0 BCADLO Cn1cc[nH+]c1Cn1cc(-c2ccnn2C)nn1 ZINC000640952658 362097207 /nfs/dbraw/zinc/09/72/07/362097207.db2.gz DBSIDJZBKBKTER-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO COC(C)(C)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953915 362097960 /nfs/dbraw/zinc/09/79/60/362097960.db2.gz ULXOLHWOZACHNV-UHFFFAOYSA-N 1 2 235.291 0.941 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)N3CC(O)C3)cc2n1C ZINC000526021467 259352389 /nfs/dbraw/zinc/35/23/89/259352389.db2.gz ARNMMYPMRYVPGC-UHFFFAOYSA-N 1 2 245.282 0.698 20 0 BCADLO C[C@@H](NC(=O)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000125352246 343173164 /nfs/dbraw/zinc/17/31/64/343173164.db2.gz ZOTBXZOYNYICSF-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000129342670 343176810 /nfs/dbraw/zinc/17/68/10/343176810.db2.gz KQRUWYLOUGAPGB-CIUDSAMLSA-N 1 2 215.293 0.687 20 0 BCADLO COc1c(N)[nH+]cnc1NCCn1cccn1 ZINC000134844046 343190837 /nfs/dbraw/zinc/19/08/37/343190837.db2.gz WTMBYRPXNCCAOU-UHFFFAOYSA-N 1 2 234.263 0.376 20 0 BCADLO COc1c(N)nc[nH+]c1NCCn1cccn1 ZINC000134844046 343190839 /nfs/dbraw/zinc/19/08/39/343190839.db2.gz WTMBYRPXNCCAOU-UHFFFAOYSA-N 1 2 234.263 0.376 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC[C@H]1O ZINC000134912103 343192055 /nfs/dbraw/zinc/19/20/55/343192055.db2.gz PSCSXONZYPFXSK-JGVFFNPUSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC[C@H]1O ZINC000134912103 343192057 /nfs/dbraw/zinc/19/20/57/343192057.db2.gz PSCSXONZYPFXSK-JGVFFNPUSA-N 1 2 238.291 0.640 20 0 BCADLO O=C(c1cccs1)N1CC[NH+](CCO)CC1 ZINC000031945998 343226183 /nfs/dbraw/zinc/22/61/83/343226183.db2.gz TYLWCRQZPDRRRQ-UHFFFAOYSA-N 1 2 240.328 0.498 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299637 343226576 /nfs/dbraw/zinc/22/65/76/343226576.db2.gz YGPVXOQFSCFMDQ-MRVPVSSYSA-N 1 2 231.321 0.875 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299637 343226577 /nfs/dbraw/zinc/22/65/77/343226577.db2.gz YGPVXOQFSCFMDQ-MRVPVSSYSA-N 1 2 231.321 0.875 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000625300675 343227037 /nfs/dbraw/zinc/22/70/37/343227037.db2.gz ODLQGUZKPMQSTB-MRVPVSSYSA-N 1 2 208.265 0.961 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000625300675 343227039 /nfs/dbraw/zinc/22/70/39/343227039.db2.gz ODLQGUZKPMQSTB-MRVPVSSYSA-N 1 2 208.265 0.961 20 0 BCADLO O=S(=O)(CCCCF)NCc1c[nH+]c[nH]1 ZINC000625301941 343227517 /nfs/dbraw/zinc/22/75/17/343227517.db2.gz ZUZANJNIIPDBTD-UHFFFAOYSA-N 1 2 235.284 0.579 20 0 BCADLO O=S(=O)(CCCCF)NCc1c[nH]c[nH+]1 ZINC000625301941 343227519 /nfs/dbraw/zinc/22/75/19/343227519.db2.gz ZUZANJNIIPDBTD-UHFFFAOYSA-N 1 2 235.284 0.579 20 0 BCADLO CC(C)c1nnc(C[NH2+]C2(C(N)=O)CC2)s1 ZINC000625316436 343231602 /nfs/dbraw/zinc/23/16/02/343231602.db2.gz YNDKHNCOOCRKTQ-UHFFFAOYSA-N 1 2 240.332 0.769 20 0 BCADLO C[C@H]1C[N@H+](CCc2cn(C)nn2)CCC1=O ZINC000625332658 343237376 /nfs/dbraw/zinc/23/73/76/343237376.db2.gz JGTUWKKNBFZFMB-VIFPVBQESA-N 1 2 222.292 0.269 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cn(C)nn2)CCC1=O ZINC000625332658 343237378 /nfs/dbraw/zinc/23/73/78/343237378.db2.gz JGTUWKKNBFZFMB-VIFPVBQESA-N 1 2 222.292 0.269 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000029524518 136278232 /nfs/dbraw/zinc/27/82/32/136278232.db2.gz YIJCQBNVOYIPGI-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000625358637 343248491 /nfs/dbraw/zinc/24/84/91/343248491.db2.gz RYANJOMNLBYHIU-SECBINFHSA-N 1 2 243.332 0.775 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000625358637 343248492 /nfs/dbraw/zinc/24/84/92/343248492.db2.gz RYANJOMNLBYHIU-SECBINFHSA-N 1 2 243.332 0.775 20 0 BCADLO C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000035202960 343289181 /nfs/dbraw/zinc/28/91/81/343289181.db2.gz SKHFANNOBUCRPB-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177574459 346932513 /nfs/dbraw/zinc/93/25/13/346932513.db2.gz BXXLKMCODYHYLO-ZJUUUORDSA-N 1 2 233.308 0.266 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177574459 346932517 /nfs/dbraw/zinc/93/25/17/346932517.db2.gz BXXLKMCODYHYLO-ZJUUUORDSA-N 1 2 233.308 0.266 20 0 BCADLO CC(C)[C@H](O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036298 362148405 /nfs/dbraw/zinc/14/84/05/362148405.db2.gz OWLLAGSUZFROKX-LLVKDONJSA-N 1 2 235.291 0.609 20 0 BCADLO C[C@H](O)CCCc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038225 362150079 /nfs/dbraw/zinc/15/00/79/362150079.db2.gz MTCZBRLSHMZLPV-JTQLQIEISA-N 1 2 249.318 0.763 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070008026 343296718 /nfs/dbraw/zinc/29/67/18/343296718.db2.gz SRCDBYGNDBCKOO-HTQZYQBOSA-N 1 2 210.281 0.205 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(C(=O)N(C)C)nn1 ZINC000641052979 362163326 /nfs/dbraw/zinc/16/33/26/362163326.db2.gz XXXTYYOXUYIITH-UHFFFAOYSA-N 1 2 245.286 0.732 20 0 BCADLO CCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599022 343357535 /nfs/dbraw/zinc/35/75/35/343357535.db2.gz RAKPPUBTNJWNEP-NSHDSACASA-N 1 2 227.352 0.539 20 0 BCADLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599018 343357619 /nfs/dbraw/zinc/35/76/19/343357619.db2.gz APGNNJSIMJDCMW-LBPRGKRZSA-N 1 2 241.379 0.929 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCC2CC2)nn1 ZINC000641066414 362175918 /nfs/dbraw/zinc/17/59/18/362175918.db2.gz BSAKHJVMSOFCJZ-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCC2CC2)nn1 ZINC000641066414 362175924 /nfs/dbraw/zinc/17/59/24/362175924.db2.gz BSAKHJVMSOFCJZ-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000631382701 343352264 /nfs/dbraw/zinc/35/22/64/343352264.db2.gz BSCCBZJIRRKHDD-RQJHMYQMSA-N 1 2 247.258 0.846 20 0 BCADLO Cc1cc[nH+]cc1Cn1cc(CCCO)nn1 ZINC000641070874 362180969 /nfs/dbraw/zinc/18/09/69/362180969.db2.gz PXLFBLXFHXMFBY-UHFFFAOYSA-N 1 2 232.287 0.955 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000348959738 136310662 /nfs/dbraw/zinc/31/06/62/136310662.db2.gz WVOTYLCQHHJQPT-SFYZADRCSA-N 1 2 227.264 0.029 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000348959738 136310663 /nfs/dbraw/zinc/31/06/63/136310663.db2.gz WVOTYLCQHHJQPT-SFYZADRCSA-N 1 2 227.264 0.029 20 0 BCADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000602877165 349807017 /nfs/dbraw/zinc/80/70/17/349807017.db2.gz NLAHPFXKHDMQPR-JQWIXIFHSA-N 1 2 237.299 0.741 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCOC1 ZINC000349109394 136323596 /nfs/dbraw/zinc/32/35/96/136323596.db2.gz MUXCQXMPPPVLGT-JTQLQIEISA-N 1 2 209.249 0.453 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCOC1 ZINC000349109394 136323597 /nfs/dbraw/zinc/32/35/97/136323597.db2.gz MUXCQXMPPPVLGT-JTQLQIEISA-N 1 2 209.249 0.453 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(CCO)C1 ZINC000569941672 323045451 /nfs/dbraw/zinc/04/54/51/323045451.db2.gz UDDNZLUEBHBMQE-UHFFFAOYSA-N 1 2 207.277 0.912 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1(F)F ZINC000335680424 136328748 /nfs/dbraw/zinc/32/87/48/136328748.db2.gz YKFILAVSXUNMCR-VDTYLAMSSA-N 1 2 215.203 0.927 20 0 BCADLO Cn1cc(CC[N@@H+]2CCOCC23CC3)nn1 ZINC000625400507 343410769 /nfs/dbraw/zinc/41/07/69/343410769.db2.gz JLAAPWHMJJQKCF-UHFFFAOYSA-N 1 2 222.292 0.222 20 0 BCADLO Cn1cc(CC[N@H+]2CCOCC23CC3)nn1 ZINC000625400507 343410770 /nfs/dbraw/zinc/41/07/70/343410770.db2.gz JLAAPWHMJJQKCF-UHFFFAOYSA-N 1 2 222.292 0.222 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047575148 343417392 /nfs/dbraw/zinc/41/73/92/343417392.db2.gz WBKIUCNMOPVUDD-PHIMTYICSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047575148 343417393 /nfs/dbraw/zinc/41/73/93/343417393.db2.gz WBKIUCNMOPVUDD-PHIMTYICSA-N 1 2 243.351 0.803 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1(F)F ZINC000335680422 136328624 /nfs/dbraw/zinc/32/86/24/136328624.db2.gz YKFILAVSXUNMCR-FSPLSTOPSA-N 1 2 215.203 0.927 20 0 BCADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)O ZINC000602877166 349806700 /nfs/dbraw/zinc/80/67/00/349806700.db2.gz NLAHPFXKHDMQPR-PWSUYJOCSA-N 1 2 237.299 0.741 20 0 BCADLO C[C@@H]1C[C@@H]1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641083125 362202413 /nfs/dbraw/zinc/20/24/13/362202413.db2.gz UEVNZBCEVMYVNC-KKZNHRDASA-N 1 2 222.292 0.595 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335685537 136329985 /nfs/dbraw/zinc/32/99/85/136329985.db2.gz TUMWWUDVNCMMIW-GHMZBOCLSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335685537 136329986 /nfs/dbraw/zinc/32/99/86/136329986.db2.gz TUMWWUDVNCMMIW-GHMZBOCLSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)nc(C)n1 ZINC000349199108 136331542 /nfs/dbraw/zinc/33/15/42/136331542.db2.gz YGDWSLLYMGQXQT-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO COCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083101 136332327 /nfs/dbraw/zinc/33/23/27/136332327.db2.gz CVBBIXMZIZAERK-GFCCVEGCSA-N 1 2 249.314 0.591 20 0 BCADLO CCOCCNC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349244773 136332605 /nfs/dbraw/zinc/33/26/05/136332605.db2.gz QPMSXESXXBGJPR-SECBINFHSA-N 1 2 241.291 0.478 20 0 BCADLO COC[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641080933 362196658 /nfs/dbraw/zinc/19/66/58/362196658.db2.gz ZXHRXEREJJCSDD-VIFPVBQESA-N 1 2 221.264 0.730 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccnc(C)n1 ZINC000350302633 136357945 /nfs/dbraw/zinc/35/79/45/136357945.db2.gz SURLYXDZHJZAPI-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccnc(C)n1 ZINC000350302633 136357946 /nfs/dbraw/zinc/35/79/46/136357946.db2.gz SURLYXDZHJZAPI-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO Cc1ccc(Cn2cc(CCO)nn2)c(C)[nH+]1 ZINC000641095597 362223478 /nfs/dbraw/zinc/22/34/78/362223478.db2.gz JBIZCXUCOGTPRF-UHFFFAOYSA-N 1 2 232.287 0.873 20 0 BCADLO Cc1noc(C[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000082680857 343460045 /nfs/dbraw/zinc/46/00/45/343460045.db2.gz ONSXEWQYGICBIB-YFKPBYRVSA-N 1 2 225.170 0.391 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCOC[C@@H]1C ZINC000135019724 343453224 /nfs/dbraw/zinc/45/32/24/343453224.db2.gz UHPZRTDEADSACQ-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCOC[C@@H]1C ZINC000135019724 343453225 /nfs/dbraw/zinc/45/32/25/343453225.db2.gz UHPZRTDEADSACQ-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO COCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000082687011 343460053 /nfs/dbraw/zinc/46/00/53/343460053.db2.gz PRKLOUCGRGAPDJ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CC(C)[C@H]1C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000351095482 136367640 /nfs/dbraw/zinc/36/76/40/136367640.db2.gz FGEYWDQTCIJGRA-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000351095482 136367641 /nfs/dbraw/zinc/36/76/41/136367641.db2.gz FGEYWDQTCIJGRA-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC2(O)CCOCC2)CCO1 ZINC000351107895 136367906 /nfs/dbraw/zinc/36/79/06/136367906.db2.gz ZOPJCDRHBCERQK-GFCCVEGCSA-N 1 2 243.347 0.885 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC2(O)CCOCC2)CCO1 ZINC000351107895 136367907 /nfs/dbraw/zinc/36/79/07/136367907.db2.gz ZOPJCDRHBCERQK-GFCCVEGCSA-N 1 2 243.347 0.885 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000351501302 136368789 /nfs/dbraw/zinc/36/87/89/136368789.db2.gz HGDROFKWNLMENR-IONNQARKSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000351501302 136368790 /nfs/dbraw/zinc/36/87/90/136368790.db2.gz HGDROFKWNLMENR-IONNQARKSA-N 1 2 237.307 0.063 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124230 362230945 /nfs/dbraw/zinc/23/09/45/362230945.db2.gz XYBYSUHBQFJKJG-LBPRGKRZSA-N 1 2 249.318 0.734 20 0 BCADLO CC[C@](C)(O)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124018 362231659 /nfs/dbraw/zinc/23/16/59/362231659.db2.gz SJQOGPADAOYHKB-LBPRGKRZSA-N 1 2 249.318 0.878 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CO1 ZINC000616496658 343480908 /nfs/dbraw/zinc/48/09/08/343480908.db2.gz LMGBFDPAFKQHSO-LMLFDSFASA-N 1 2 249.314 0.817 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nnnn1C1CC1 ZINC000310430950 343490373 /nfs/dbraw/zinc/49/03/73/343490373.db2.gz RTAHYWABPBRFOQ-VIFPVBQESA-N 1 2 237.307 0.353 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nnnn1C1CC1 ZINC000310430950 343490378 /nfs/dbraw/zinc/49/03/78/343490378.db2.gz RTAHYWABPBRFOQ-VIFPVBQESA-N 1 2 237.307 0.353 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C ZINC000379570379 343576655 /nfs/dbraw/zinc/57/66/55/343576655.db2.gz GSEICAWBNGKNSO-SFYZADRCSA-N 1 2 203.282 0.545 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CC1 ZINC000048465094 343581757 /nfs/dbraw/zinc/58/17/57/343581757.db2.gz HMAFXXFCRALIQA-SECBINFHSA-N 1 2 222.292 0.981 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252406 343598936 /nfs/dbraw/zinc/59/89/36/343598936.db2.gz FTMTUNDYWOQHJE-JQWIXIFHSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252406 343598939 /nfs/dbraw/zinc/59/89/39/343598939.db2.gz FTMTUNDYWOQHJE-JQWIXIFHSA-N 1 2 249.314 0.719 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc[nH]c1=O ZINC000622745401 343606006 /nfs/dbraw/zinc/60/60/06/343606006.db2.gz KKMHJZRYJOLTRQ-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc[nH]c1=O ZINC000622745401 343606007 /nfs/dbraw/zinc/60/60/07/343606007.db2.gz KKMHJZRYJOLTRQ-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO COC(=O)[C@@]1(C)C[N@H+](Cc2c[nH]nn2)C[C@@H]1C ZINC000602928793 349821622 /nfs/dbraw/zinc/82/16/22/349821622.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@]1(C)C[N@@H+](Cc2c[nH]nn2)C[C@@H]1C ZINC000602928793 349821627 /nfs/dbraw/zinc/82/16/27/349821627.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@]1(C)C[N@H+](Cc2cnn[nH]2)C[C@@H]1C ZINC000602928793 349821629 /nfs/dbraw/zinc/82/16/29/349821629.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@]1(C)C[N@@H+](Cc2cnn[nH]2)C[C@@H]1C ZINC000602928793 349821632 /nfs/dbraw/zinc/82/16/32/349821632.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@]1(C)C[N@H+](Cc2cn[nH]n2)C[C@@H]1C ZINC000602928793 349821635 /nfs/dbraw/zinc/82/16/35/349821635.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@@]1(C)C[N@@H+](Cc2cn[nH]n2)C[C@@H]1C ZINC000602928793 349821638 /nfs/dbraw/zinc/82/16/38/349821638.db2.gz AAZIVCWLQISEMP-KWQFWETISA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1(CO)COC1)C(C)(C)C ZINC000119060765 343623337 /nfs/dbraw/zinc/62/33/37/343623337.db2.gz TVLMXCAGOZMEDL-VIFPVBQESA-N 1 2 245.319 0.173 20 0 BCADLO CNC(=O)CC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000119293419 343692655 /nfs/dbraw/zinc/69/26/55/343692655.db2.gz VPOSAVQKWHPXSU-SECBINFHSA-N 1 2 230.308 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CCCS(C)(=O)=O ZINC000093710157 537806108 /nfs/dbraw/zinc/80/61/08/537806108.db2.gz KRLHRIYQJSVUDO-UHFFFAOYSA-N 1 2 245.348 0.585 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CCCS(C)(=O)=O ZINC000093710157 537806115 /nfs/dbraw/zinc/80/61/15/537806115.db2.gz KRLHRIYQJSVUDO-UHFFFAOYSA-N 1 2 245.348 0.585 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000625442009 343741830 /nfs/dbraw/zinc/74/18/30/343741830.db2.gz JOFIFKSUXWDQIS-IUCAKERBSA-N 1 2 222.292 0.242 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+]1CCn2nnc(CO)c2C1 ZINC000625442009 343741831 /nfs/dbraw/zinc/74/18/31/343741831.db2.gz JOFIFKSUXWDQIS-IUCAKERBSA-N 1 2 222.292 0.242 20 0 BCADLO CN1C[C@H](C[NH+]2CC(C(F)(F)F)C2)OC1=O ZINC000497148761 529825200 /nfs/dbraw/zinc/82/52/00/529825200.db2.gz OLSINMLPPQSSQW-SSDOTTSWSA-N 1 2 238.209 0.931 20 0 BCADLO CC(C)OCC[N@@H+]1CCN(C)C(=O)C1 ZINC000119327878 343711625 /nfs/dbraw/zinc/71/16/25/343711625.db2.gz FJMKJOXESVSFEL-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CC(C)OCC[N@H+]1CCN(C)C(=O)C1 ZINC000119327878 343711626 /nfs/dbraw/zinc/71/16/26/343711626.db2.gz FJMKJOXESVSFEL-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000678270831 488233078 /nfs/dbraw/zinc/23/30/78/488233078.db2.gz AYVPOVRXYHWPNR-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000678270831 488233081 /nfs/dbraw/zinc/23/30/81/488233081.db2.gz AYVPOVRXYHWPNR-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000340289668 187347511 /nfs/dbraw/zinc/34/75/11/187347511.db2.gz ROPKFIMZTZIFJL-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC000340289668 187347513 /nfs/dbraw/zinc/34/75/13/187347513.db2.gz ROPKFIMZTZIFJL-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1ncnn1C ZINC000088582921 343727656 /nfs/dbraw/zinc/72/76/56/343727656.db2.gz UZRZIDBMUQAFFX-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1ncnn1C ZINC000088582921 343727658 /nfs/dbraw/zinc/72/76/58/343727658.db2.gz UZRZIDBMUQAFFX-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC12CC2 ZINC000584168555 343768297 /nfs/dbraw/zinc/76/82/97/343768297.db2.gz OURRBPUAJLOYJB-VIFPVBQESA-N 1 2 205.261 0.929 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC12CC2 ZINC000584168555 343768298 /nfs/dbraw/zinc/76/82/98/343768298.db2.gz OURRBPUAJLOYJB-VIFPVBQESA-N 1 2 205.261 0.929 20 0 BCADLO CCOC(=O)[C@@]1(C)C[N@H+](CCOC)CCO1 ZINC000603001699 349852316 /nfs/dbraw/zinc/85/23/16/349852316.db2.gz OZFQRIADHPNHRS-LLVKDONJSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)[C@@]1(C)C[N@@H+](CCOC)CCO1 ZINC000603001699 349852319 /nfs/dbraw/zinc/85/23/19/349852319.db2.gz OZFQRIADHPNHRS-LLVKDONJSA-N 1 2 231.292 0.287 20 0 BCADLO COc1ccc[nH+]c1N(C)Cc1cn(C)nn1 ZINC000624399308 343753285 /nfs/dbraw/zinc/75/32/85/343753285.db2.gz IZUKVGGYOJZDHV-UHFFFAOYSA-N 1 2 233.275 0.855 20 0 BCADLO CCn1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1 ZINC000625450662 343777654 /nfs/dbraw/zinc/77/76/54/343777654.db2.gz TXXWQEQEBIYQDJ-UHFFFAOYSA-N 1 2 247.302 0.907 20 0 BCADLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000214159357 343758509 /nfs/dbraw/zinc/75/85/09/343758509.db2.gz GLMJJJZXYNDMSH-ZMWSMAPVSA-N 1 2 221.260 0.670 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085756 349864525 /nfs/dbraw/zinc/86/45/25/349864525.db2.gz BTNMAAQJAJDOSW-CABZTGNLSA-N 1 2 237.255 0.633 20 0 BCADLO COC(=O)c1occc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085756 349864528 /nfs/dbraw/zinc/86/45/28/349864528.db2.gz BTNMAAQJAJDOSW-CABZTGNLSA-N 1 2 237.255 0.633 20 0 BCADLO CNC(=O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493699710 529853199 /nfs/dbraw/zinc/85/31/99/529853199.db2.gz WHIKWUOOJYBWKB-SNAWJCMRSA-N 1 2 236.275 0.065 20 0 BCADLO CN(CC1(CO)CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493265755 529853233 /nfs/dbraw/zinc/85/32/33/529853233.db2.gz XPWRPZMGFRDDMR-NSCUHMNNSA-N 1 2 235.287 0.654 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000507264580 529899566 /nfs/dbraw/zinc/89/95/66/529899566.db2.gz PHNSNUSCCHAXCZ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000507264580 529899568 /nfs/dbraw/zinc/89/95/68/529899568.db2.gz PHNSNUSCCHAXCZ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO C/C=C/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000298506303 187352655 /nfs/dbraw/zinc/35/26/55/187352655.db2.gz QXBIHEOILZBAIS-KVOZUEDISA-N 1 2 238.331 0.956 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1cnccn1 ZINC000179659345 346991489 /nfs/dbraw/zinc/99/14/89/346991489.db2.gz BVCUDQQEVGBLEA-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1cnccn1 ZINC000179659345 346991493 /nfs/dbraw/zinc/99/14/93/346991493.db2.gz BVCUDQQEVGBLEA-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000625479353 343879395 /nfs/dbraw/zinc/87/93/95/343879395.db2.gz OUAQHGVIKJTGRI-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000625479353 343879398 /nfs/dbraw/zinc/87/93/98/343879398.db2.gz OUAQHGVIKJTGRI-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn(C2CC2)c1 ZINC000625489542 343884205 /nfs/dbraw/zinc/88/42/05/343884205.db2.gz PHFAHEVCUNMMJC-UHFFFAOYSA-N 1 2 231.259 0.871 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](C)CO)C(C)(C)C ZINC000121491554 349880749 /nfs/dbraw/zinc/88/07/49/349880749.db2.gz UGDKZIYLXYGPRV-DTWKUNHWSA-N 1 2 217.309 0.792 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ncc[nH]1 ZINC000336733765 537831886 /nfs/dbraw/zinc/83/18/86/537831886.db2.gz GUUIIYZBKUYWCS-LURJTMIESA-N 1 2 232.234 0.442 20 0 BCADLO Cc1cnc(C[NH2+]C2(C(=O)N(C)C)CC2)o1 ZINC000625469907 343873960 /nfs/dbraw/zinc/87/39/60/343873960.db2.gz DRRLGFNSCLJKEF-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)CC[S@@]1=O ZINC000429561515 192368427 /nfs/dbraw/zinc/36/84/27/192368427.db2.gz RPRYNKACAMSFNQ-LSYCYVAJSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)CC[S@@]1=O ZINC000429561515 192368430 /nfs/dbraw/zinc/36/84/30/192368430.db2.gz RPRYNKACAMSFNQ-LSYCYVAJSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)CC[S@]1=O ZINC000429561517 192368394 /nfs/dbraw/zinc/36/83/94/192368394.db2.gz RPRYNKACAMSFNQ-XIZWVBILSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)CC[S@]1=O ZINC000429561517 192368396 /nfs/dbraw/zinc/36/83/96/192368396.db2.gz RPRYNKACAMSFNQ-XIZWVBILSA-N 1 2 244.360 0.060 20 0 BCADLO CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)C(C)C ZINC000625516372 343915526 /nfs/dbraw/zinc/91/55/26/343915526.db2.gz BYACEYMHPWQZCA-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C(=O)NC[C@H]1COCC[N@H+]1C)C(C)C ZINC000625516372 343915527 /nfs/dbraw/zinc/91/55/27/343915527.db2.gz BYACEYMHPWQZCA-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO COc1cncc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000625528406 343918183 /nfs/dbraw/zinc/91/81/83/343918183.db2.gz AUPAPCMHKOHWJE-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1cncc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000625528406 343918185 /nfs/dbraw/zinc/91/81/85/343918185.db2.gz AUPAPCMHKOHWJE-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CN(C)c1ccc(Cn2cc(CCO)nn2)c[nH+]1 ZINC000641178224 362257037 /nfs/dbraw/zinc/25/70/37/362257037.db2.gz SFDSANIOVVICBZ-UHFFFAOYSA-N 1 2 247.302 0.322 20 0 BCADLO CSCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000603222189 349897335 /nfs/dbraw/zinc/89/73/35/349897335.db2.gz ZTWCDDHYAPJHRA-UHFFFAOYSA-N 1 2 209.278 0.913 20 0 BCADLO C[C@H]1CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000641243478 362292333 /nfs/dbraw/zinc/29/23/33/362292333.db2.gz MRVSUWLWZCFDJG-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnc(C)o1 ZINC000628120731 343973106 /nfs/dbraw/zinc/97/31/06/343973106.db2.gz BMZIDXMGXHKQAZ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnc(C)o1 ZINC000628120731 343973109 /nfs/dbraw/zinc/97/31/09/343973109.db2.gz BMZIDXMGXHKQAZ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO O[C@H]1CCCC[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641209128 362270111 /nfs/dbraw/zinc/27/01/11/362270111.db2.gz RYPJBWOBXLBVNZ-NEPJUHHUSA-N 1 2 247.302 0.999 20 0 BCADLO CC[C@](C)(O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641218384 362278547 /nfs/dbraw/zinc/27/85/47/362278547.db2.gz WKRIKEVFOBPRMR-NSHDSACASA-N 1 2 235.291 0.684 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CSC1CC1 ZINC000600421402 343967864 /nfs/dbraw/zinc/96/78/64/343967864.db2.gz OFSJVUHKINZTEG-SECBINFHSA-N 1 2 244.360 0.329 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CSC1CC1 ZINC000600421402 343967866 /nfs/dbraw/zinc/96/78/66/343967866.db2.gz OFSJVUHKINZTEG-SECBINFHSA-N 1 2 244.360 0.329 20 0 BCADLO CS[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420963 343968169 /nfs/dbraw/zinc/96/81/69/343968169.db2.gz MHPZDHRSZWYMMN-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420963 343968171 /nfs/dbraw/zinc/96/81/71/343968171.db2.gz MHPZDHRSZWYMMN-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000082756712 187283239 /nfs/dbraw/zinc/28/32/39/187283239.db2.gz QHLGOUOOEVYOBW-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC3(C2)CCOCC3)n1 ZINC000328647839 537838476 /nfs/dbraw/zinc/83/84/76/537838476.db2.gz HZXCZGWPLPMWNJ-UHFFFAOYSA-N 1 2 237.307 0.213 20 0 BCADLO Cn1nnc(C[N@H+]2CCC3(C2)CCOCC3)n1 ZINC000328647839 537838481 /nfs/dbraw/zinc/83/84/81/537838481.db2.gz HZXCZGWPLPMWNJ-UHFFFAOYSA-N 1 2 237.307 0.213 20 0 BCADLO OCc1ccnc(NCC[NH+]2CCOCC2)c1 ZINC000641252077 362330750 /nfs/dbraw/zinc/33/07/50/362330750.db2.gz GDHPVSOCMHRNQY-UHFFFAOYSA-N 1 2 237.303 0.318 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC1(C)COC1 ZINC000625791110 344075553 /nfs/dbraw/zinc/07/55/53/344075553.db2.gz IGPCAXCVNZNOHB-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC1(C)COC1 ZINC000625791110 344075555 /nfs/dbraw/zinc/07/55/55/344075555.db2.gz IGPCAXCVNZNOHB-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CC(C)NC(=O)CN(C)c1cc(CO)cc[nH+]1 ZINC000641265743 362338536 /nfs/dbraw/zinc/33/85/36/362338536.db2.gz IGOQEOQBEDXRTR-UHFFFAOYSA-N 1 2 237.303 0.535 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ncccc1F ZINC000624620824 344108429 /nfs/dbraw/zinc/10/84/29/344108429.db2.gz NBKXVNZQQMBKJN-SECBINFHSA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ncccc1F ZINC000624620824 344108431 /nfs/dbraw/zinc/10/84/31/344108431.db2.gz NBKXVNZQQMBKJN-SECBINFHSA-N 1 2 225.267 0.963 20 0 BCADLO CN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641272055 362340447 /nfs/dbraw/zinc/34/04/47/362340447.db2.gz KUUJNOKKNDSPRF-UHFFFAOYSA-N 1 2 229.305 0.307 20 0 BCADLO CC(C)C(=O)NCCNc1cc(CO)cc[nH+]1 ZINC000641276046 362342371 /nfs/dbraw/zinc/34/23/71/362342371.db2.gz GJVCLLNNBXHNGA-UHFFFAOYSA-N 1 2 237.303 0.758 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734421 344115561 /nfs/dbraw/zinc/11/55/61/344115561.db2.gz FUELEDLJIFZYAF-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734421 344115563 /nfs/dbraw/zinc/11/55/63/344115563.db2.gz FUELEDLJIFZYAF-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO Cc1cncnc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000641295079 362348525 /nfs/dbraw/zinc/34/85/25/362348525.db2.gz LNWKSBXCGUUMKC-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCn1cnnc1CNc1cc[nH+]cc1F ZINC000641296410 362349665 /nfs/dbraw/zinc/34/96/65/362349665.db2.gz VLKBHGKTKNXVSZ-UHFFFAOYSA-N 1 2 221.239 0.866 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000299891595 344117292 /nfs/dbraw/zinc/11/72/92/344117292.db2.gz WNMQLWRMGUZVBV-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000299891595 344117294 /nfs/dbraw/zinc/11/72/94/344117294.db2.gz WNMQLWRMGUZVBV-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)C(C)C)nn1 ZINC000603259845 349902146 /nfs/dbraw/zinc/90/21/46/349902146.db2.gz KDSMHMUSELHFNB-SCZZXKLOSA-N 1 2 240.307 0.538 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000221430106 259373344 /nfs/dbraw/zinc/37/33/44/259373344.db2.gz OZYZHJCZAMJENY-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000221430106 259373345 /nfs/dbraw/zinc/37/33/45/259373345.db2.gz OZYZHJCZAMJENY-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO CCCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC000309307358 347029993 /nfs/dbraw/zinc/02/99/93/347029993.db2.gz DMOIEXITUGOEHV-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cncs2)CC1 ZINC000082304232 344153745 /nfs/dbraw/zinc/15/37/45/344153745.db2.gz WTBGOQGYIBKEPI-UHFFFAOYSA-N 1 2 225.317 0.921 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628129628 344157864 /nfs/dbraw/zinc/15/78/64/344157864.db2.gz NCEJNLRWPHNCQU-UHFFFAOYSA-N 1 2 209.249 0.469 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628129628 344157865 /nfs/dbraw/zinc/15/78/65/344157865.db2.gz NCEJNLRWPHNCQU-UHFFFAOYSA-N 1 2 209.249 0.469 20 0 BCADLO OCCn1cc(Nc2[nH+]cnc3[nH]ccc32)cn1 ZINC000588896528 344199487 /nfs/dbraw/zinc/19/94/87/344199487.db2.gz LTMLPVVKWIJENN-UHFFFAOYSA-N 1 2 244.258 0.890 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C(F)F)CC1)N1CCC1 ZINC000634751765 344202128 /nfs/dbraw/zinc/20/21/28/344202128.db2.gz XGJMCAFWBKQAEE-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C(F)F)CC1)N1CCC1 ZINC000634751765 344202130 /nfs/dbraw/zinc/20/21/30/344202130.db2.gz XGJMCAFWBKQAEE-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO OC1(CNc2cc[nH+]cc2F)CCOCC1 ZINC000641344701 362372729 /nfs/dbraw/zinc/37/27/29/362372729.db2.gz OKDIMBUAKSVRQS-UHFFFAOYSA-N 1 2 226.251 0.596 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000408248654 344271903 /nfs/dbraw/zinc/27/19/03/344271903.db2.gz WOEPIUGVMQYTSX-VIFPVBQESA-N 1 2 239.323 0.242 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H](CO)C1 ZINC000408248654 344271905 /nfs/dbraw/zinc/27/19/05/344271905.db2.gz WOEPIUGVMQYTSX-VIFPVBQESA-N 1 2 239.323 0.242 20 0 BCADLO C[C@@H]1CCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641363597 362377663 /nfs/dbraw/zinc/37/76/63/362377663.db2.gz RGVWOQKWLSCICR-SNVBAGLBSA-N 1 2 243.332 0.697 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774635 344294659 /nfs/dbraw/zinc/29/46/59/344294659.db2.gz ZMOXDLFHYPYWKL-MXWKQRLJSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774635 344294661 /nfs/dbraw/zinc/29/46/61/344294661.db2.gz ZMOXDLFHYPYWKL-MXWKQRLJSA-N 1 2 249.314 0.693 20 0 BCADLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)on1 ZINC000625869501 344242960 /nfs/dbraw/zinc/24/29/60/344242960.db2.gz SIJSTWOKNSPUEX-QMMMGPOBSA-N 1 2 225.248 0.133 20 0 BCADLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)on1 ZINC000625869501 344242962 /nfs/dbraw/zinc/24/29/62/344242962.db2.gz SIJSTWOKNSPUEX-QMMMGPOBSA-N 1 2 225.248 0.133 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ncccc1N ZINC000385096033 344323887 /nfs/dbraw/zinc/32/38/87/344323887.db2.gz AEFCZODIHRPBMW-UHFFFAOYSA-N 1 2 245.286 0.810 20 0 BCADLO CCC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OCC ZINC000600612858 344336691 /nfs/dbraw/zinc/33/66/91/344336691.db2.gz QDCHDMUNIXKKPP-GUBZILKMSA-N 1 2 242.319 0.572 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C1CC1 ZINC000600614936 344336961 /nfs/dbraw/zinc/33/69/61/344336961.db2.gz MODOVRWWKCEAJB-GUBZILKMSA-N 1 2 213.277 0.705 20 0 BCADLO NS(=O)(=O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641370938 362379691 /nfs/dbraw/zinc/37/96/91/362379691.db2.gz GVDKNYYSTDOVKR-SSDOTTSWSA-N 1 2 245.279 0.088 20 0 BCADLO O=S1(=O)CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641382381 362384395 /nfs/dbraw/zinc/38/43/95/362384395.db2.gz PDQVWVCOCQLPGY-QMMMGPOBSA-N 1 2 244.291 0.632 20 0 BCADLO C[C@H](NC(=O)c1cnco1)c1[nH+]ccn1C ZINC000620603050 344352749 /nfs/dbraw/zinc/35/27/49/344352749.db2.gz DTHUQLBNXAQNLU-ZETCQYMHSA-N 1 2 220.232 0.899 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093049563 344307890 /nfs/dbraw/zinc/30/78/90/344307890.db2.gz MNUSNDFVVYJDNF-SNVBAGLBSA-N 1 2 208.261 0.990 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093049563 344307893 /nfs/dbraw/zinc/30/78/93/344307893.db2.gz MNUSNDFVVYJDNF-SNVBAGLBSA-N 1 2 208.261 0.990 20 0 BCADLO O[C@@H](CNc1cc[nH+]cc1F)C1CCOCC1 ZINC000641385290 362385890 /nfs/dbraw/zinc/38/58/90/362385890.db2.gz MMENUVZRRFQLAR-LBPRGKRZSA-N 1 2 240.278 0.842 20 0 BCADLO C[N@@H+]1CCN(c2ncncc2Cl)[C@H](CO)C1 ZINC000634801662 344384586 /nfs/dbraw/zinc/38/45/86/344384586.db2.gz HQSFNNYNSWJFMJ-QMMMGPOBSA-N 1 2 242.710 0.243 20 0 BCADLO C[N@H+]1CCN(c2ncncc2Cl)[C@H](CO)C1 ZINC000634801662 344384588 /nfs/dbraw/zinc/38/45/88/344384588.db2.gz HQSFNNYNSWJFMJ-QMMMGPOBSA-N 1 2 242.710 0.243 20 0 BCADLO CCCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000041529535 344434612 /nfs/dbraw/zinc/43/46/12/344434612.db2.gz KRCBQQKPLBVZFO-UHFFFAOYSA-N 1 2 231.321 0.640 20 0 BCADLO CC[C@H]1CN(c2nc[nH+]c(N)c2OC)C[C@@H]1O ZINC000399894085 344402640 /nfs/dbraw/zinc/40/26/40/344402640.db2.gz ZMASMDDYABSRHQ-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc(N)c2OC)C[C@@H]1O ZINC000399894085 344402642 /nfs/dbraw/zinc/40/26/42/344402642.db2.gz ZMASMDDYABSRHQ-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC000389305271 344413335 /nfs/dbraw/zinc/41/33/35/344413335.db2.gz LZPDEXVXXDEKPY-IUCAKERBSA-N 1 2 239.323 0.208 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncnn1C ZINC000389305272 344413358 /nfs/dbraw/zinc/41/33/58/344413358.db2.gz LZPDEXVXXDEKPY-RKDXNWHRSA-N 1 2 239.323 0.208 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000041047534 344415260 /nfs/dbraw/zinc/41/52/60/344415260.db2.gz RSWIEOCHNHWESY-ZJUUUORDSA-N 1 2 213.277 0.707 20 0 BCADLO CN1C[C@@H](C[N@H+](C)Cc2cc[nH]n2)OC1=O ZINC000495654419 529982148 /nfs/dbraw/zinc/98/21/48/529982148.db2.gz UGKHOWHVHACGHY-SECBINFHSA-N 1 2 224.264 0.292 20 0 BCADLO CN1C[C@@H](C[N@@H+](C)Cc2cc[nH]n2)OC1=O ZINC000495654419 529982150 /nfs/dbraw/zinc/98/21/50/529982150.db2.gz UGKHOWHVHACGHY-SECBINFHSA-N 1 2 224.264 0.292 20 0 BCADLO COC(=O)CSCc1cn(C)c[nH+]1 ZINC000603313920 349911517 /nfs/dbraw/zinc/91/15/17/349911517.db2.gz ZRQSITRVFYXAPY-UHFFFAOYSA-N 1 2 200.263 0.826 20 0 BCADLO C[C@@H](CCO)SCC(=O)N1CC[NH+](C)CC1 ZINC000085145944 344504308 /nfs/dbraw/zinc/50/43/08/344504308.db2.gz NORRKUYVVLECAD-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000622272287 344479738 /nfs/dbraw/zinc/47/97/38/344479738.db2.gz QWKDOINVRCPLMF-UHFFFAOYSA-N 1 2 234.303 0.217 20 0 BCADLO OCCN(CC1CC1)c1cc(CO)cc[nH+]1 ZINC000641401167 362394461 /nfs/dbraw/zinc/39/44/61/362394461.db2.gz XOGLJYQLCSBEDN-UHFFFAOYSA-N 1 2 222.288 0.783 20 0 BCADLO COC[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641395689 362394984 /nfs/dbraw/zinc/39/49/84/362394984.db2.gz RZZZORFJMWLZNI-NSHDSACASA-N 1 2 238.287 0.426 20 0 BCADLO NC(=O)C[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641410604 362401033 /nfs/dbraw/zinc/40/10/33/362401033.db2.gz AOUGBKYBUVIQHI-SNVBAGLBSA-N 1 2 249.314 0.666 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCc1cnn(C)c1 ZINC000108855768 344513846 /nfs/dbraw/zinc/51/38/46/344513846.db2.gz SCRKEIGXXWBSAD-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO OC[C@H]1C=C[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641415481 362402725 /nfs/dbraw/zinc/40/27/25/362402725.db2.gz TUTFDYNYLKLEJP-DTWKUNHWSA-N 1 2 208.236 0.992 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](CO)CC1 ZINC000577451072 344529490 /nfs/dbraw/zinc/52/94/90/344529490.db2.gz BFFPDFRHFBDQHH-XYPYZODXSA-N 1 2 237.303 0.550 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000092013495 344536553 /nfs/dbraw/zinc/53/65/53/344536553.db2.gz MPNRFYYQBKFBPF-SCZZXKLOSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000092013495 344536555 /nfs/dbraw/zinc/53/65/55/344536555.db2.gz MPNRFYYQBKFBPF-SCZZXKLOSA-N 1 2 239.275 0.172 20 0 BCADLO NC(=O)NC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641414624 362405756 /nfs/dbraw/zinc/40/57/56/362405756.db2.gz GFTZPGLFPNRYOE-UHFFFAOYSA-N 1 2 238.266 0.858 20 0 BCADLO O=C1NC[C@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000641421815 362406295 /nfs/dbraw/zinc/40/62/95/362406295.db2.gz SDVWDPZSSUXFSN-QMMMGPOBSA-N 1 2 236.250 0.435 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000127567213 344564664 /nfs/dbraw/zinc/56/46/64/344564664.db2.gz LHBRKVZKVBGIOT-ZJUUUORDSA-N 1 2 247.335 0.561 20 0 BCADLO CCC(=O)N1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641441479 362420920 /nfs/dbraw/zinc/42/09/20/362420920.db2.gz LOVZXPBZKUJVDT-LLVKDONJSA-N 1 2 249.314 0.997 20 0 BCADLO Cn1cc([C@@H](CO)Nc2cc(CO)cc[nH+]2)cn1 ZINC000641464807 362435627 /nfs/dbraw/zinc/43/56/27/362435627.db2.gz XXLHBNQJXAREGK-LLVKDONJSA-N 1 2 248.286 0.453 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447916818 201751151 /nfs/dbraw/zinc/75/11/51/201751151.db2.gz PRYNYTCSEYFCTG-AXFHLTTASA-N 1 2 245.319 0.458 20 0 BCADLO CC(C)Cc1noc(C[N@H+](C)CCO)n1 ZINC000047953343 344581249 /nfs/dbraw/zinc/58/12/49/344581249.db2.gz XVAKAOINOYCEEP-UHFFFAOYSA-N 1 2 213.281 0.692 20 0 BCADLO CC(C)Cc1noc(C[N@@H+](C)CCO)n1 ZINC000047953343 344581251 /nfs/dbraw/zinc/58/12/51/344581251.db2.gz XVAKAOINOYCEEP-UHFFFAOYSA-N 1 2 213.281 0.692 20 0 BCADLO COC(=O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC000047772729 344581909 /nfs/dbraw/zinc/58/19/09/344581909.db2.gz CFEULPOHJRAWTH-UHFFFAOYSA-N 1 2 228.292 0.008 20 0 BCADLO O=C1C[C@]2(CCN(c3cc[nH+]cc3F)C2)CN1 ZINC000641544595 362492500 /nfs/dbraw/zinc/49/25/00/362492500.db2.gz ZKMSQBOOEDHSNW-GFCCVEGCSA-N 1 2 235.262 0.937 20 0 BCADLO OCc1cc[nH+]c(NCC(F)(F)CO)c1 ZINC000641493282 362459966 /nfs/dbraw/zinc/45/99/66/362459966.db2.gz DPOYMHQZIHCEAY-UHFFFAOYSA-N 1 2 218.203 0.613 20 0 BCADLO CC[C@H]1CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641507556 362468860 /nfs/dbraw/zinc/46/88/60/362468860.db2.gz KWTJFMMSAXRWSX-JTQLQIEISA-N 1 2 243.332 0.697 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000641512569 362469882 /nfs/dbraw/zinc/46/98/82/362469882.db2.gz IUTOUVWLTCKCTC-NXEZZACHSA-N 1 2 243.332 0.553 20 0 BCADLO C[C@@H](CNc1cc[nH+]cc1F)c1nncn1C ZINC000641525622 362479849 /nfs/dbraw/zinc/47/98/49/362479849.db2.gz NZVYYXPEYNAVTF-QMMMGPOBSA-N 1 2 235.266 0.987 20 0 BCADLO CCOC1CC(O)(CNc2cc[nH+]cc2F)C1 ZINC000641539104 362489318 /nfs/dbraw/zinc/48/93/18/362489318.db2.gz AGFRBVHHBGCWLH-UHFFFAOYSA-N 1 2 240.278 0.985 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000132 344661522 /nfs/dbraw/zinc/66/15/22/344661522.db2.gz JVXHWKFPKYMHJB-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000132 344661524 /nfs/dbraw/zinc/66/15/24/344661524.db2.gz JVXHWKFPKYMHJB-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@@H](CCF)C1)C1CC1 ZINC000626002136 344662912 /nfs/dbraw/zinc/66/29/12/344662912.db2.gz HKKTWQAFZPXNCD-NSHDSACASA-N 1 2 244.310 0.668 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@@H](CCF)C1)C1CC1 ZINC000626002136 344662913 /nfs/dbraw/zinc/66/29/13/344662913.db2.gz HKKTWQAFZPXNCD-NSHDSACASA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626005268 344667702 /nfs/dbraw/zinc/66/77/02/344667702.db2.gz ZGVFTHSDNZTEHS-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626005268 344667705 /nfs/dbraw/zinc/66/77/05/344667705.db2.gz ZGVFTHSDNZTEHS-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626005270 344667860 /nfs/dbraw/zinc/66/78/60/344667860.db2.gz ZGVFTHSDNZTEHS-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626005270 344667862 /nfs/dbraw/zinc/66/78/62/344667862.db2.gz ZGVFTHSDNZTEHS-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO COC(=O)CC[N@H+](C)[C@H](C)C(=O)OC ZINC000050067925 344719292 /nfs/dbraw/zinc/71/92/92/344719292.db2.gz UVUYCVSOJLWGAY-SSDOTTSWSA-N 1 2 203.238 0.043 20 0 BCADLO COC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC ZINC000050067925 344719296 /nfs/dbraw/zinc/71/92/96/344719296.db2.gz UVUYCVSOJLWGAY-SSDOTTSWSA-N 1 2 203.238 0.043 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076705 344723214 /nfs/dbraw/zinc/72/32/14/344723214.db2.gz SXAONBPPVPMUKF-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076705 344723215 /nfs/dbraw/zinc/72/32/15/344723215.db2.gz SXAONBPPVPMUKF-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076983 344724006 /nfs/dbraw/zinc/72/40/06/344724006.db2.gz AKSJWYLALAJKLS-LLVKDONJSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccnc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076983 344724007 /nfs/dbraw/zinc/72/40/07/344724007.db2.gz AKSJWYLALAJKLS-LLVKDONJSA-N 1 2 249.314 0.466 20 0 BCADLO CCC[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000050193544 344730925 /nfs/dbraw/zinc/73/09/25/344730925.db2.gz STKOFRUVZZUTAB-LBPRGKRZSA-N 1 2 212.337 0.927 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000259811906 344692581 /nfs/dbraw/zinc/69/25/81/344692581.db2.gz WADZRKWIFISBTL-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000259811906 344692582 /nfs/dbraw/zinc/69/25/82/344692582.db2.gz WADZRKWIFISBTL-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626042992 344693838 /nfs/dbraw/zinc/69/38/38/344693838.db2.gz BPIBKEAQWWUVNW-DTORHVGOSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626042992 344693840 /nfs/dbraw/zinc/69/38/40/344693840.db2.gz BPIBKEAQWWUVNW-DTORHVGOSA-N 1 2 211.265 0.581 20 0 BCADLO CCn1ccnc1C(=O)NCCc1c[nH+]cn1C ZINC000574223342 344716864 /nfs/dbraw/zinc/71/68/64/344716864.db2.gz ATHSCCJEXCBUPY-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO C[C@]1(C(N)=O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641547770 362494939 /nfs/dbraw/zinc/49/49/39/362494939.db2.gz UQSDFLIDFVOYEY-LBPRGKRZSA-N 1 2 235.287 0.276 20 0 BCADLO CN1CC2(C[NH+](CC3(C)CC3)C2)OC1=O ZINC000496044395 530047152 /nfs/dbraw/zinc/04/71/52/530047152.db2.gz PZZYMLOMYDTNOT-UHFFFAOYSA-N 1 2 210.277 0.923 20 0 BCADLO CN1CC2(C[NH+](C[C@@H]3CCC=CO3)C2)OC1=O ZINC000496339314 530047205 /nfs/dbraw/zinc/04/72/05/530047205.db2.gz GUWCSECTFPLOEM-JTQLQIEISA-N 1 2 238.287 0.816 20 0 BCADLO Cc1nc(N(C)C)nc(NCCCCO)[nH+]1 ZINC000309471441 347071567 /nfs/dbraw/zinc/07/15/67/347071567.db2.gz QUPBFOWSKVRXSC-UHFFFAOYSA-N 1 2 225.296 0.430 20 0 BCADLO Cc1nc(NCCCCO)nc(N(C)C)[nH+]1 ZINC000309471441 347071570 /nfs/dbraw/zinc/07/15/70/347071570.db2.gz QUPBFOWSKVRXSC-UHFFFAOYSA-N 1 2 225.296 0.430 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)n1cccn1 ZINC000075848804 344785484 /nfs/dbraw/zinc/78/54/84/344785484.db2.gz VKCYTAKGRBCDDS-WDEREUQCSA-N 1 2 247.302 0.846 20 0 BCADLO CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076048848 344793352 /nfs/dbraw/zinc/79/33/52/344793352.db2.gz KRXXKZZCGGZUMS-MRVPVSSYSA-N 1 2 208.265 0.929 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000336028657 534966780 /nfs/dbraw/zinc/96/67/80/534966780.db2.gz XXLAQOMQKAVFEO-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000336028657 534966784 /nfs/dbraw/zinc/96/67/84/534966784.db2.gz XXLAQOMQKAVFEO-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CO[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000076243710 344803074 /nfs/dbraw/zinc/80/30/74/344803074.db2.gz OTSWVQZBFOFTGK-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cnn(C)c1 ZINC000077318350 344816332 /nfs/dbraw/zinc/81/63/32/344816332.db2.gz IQANVJLVCGPRKO-NSHDSACASA-N 1 2 236.319 0.173 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cnn(C)c1 ZINC000077318350 344816335 /nfs/dbraw/zinc/81/63/35/344816335.db2.gz IQANVJLVCGPRKO-NSHDSACASA-N 1 2 236.319 0.173 20 0 BCADLO CC(C)N1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1=O ZINC000114774997 187293508 /nfs/dbraw/zinc/29/35/08/187293508.db2.gz XGFVSRKEMDIJMF-SECBINFHSA-N 1 2 222.292 0.509 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCOCC1 ZINC000078290416 344841753 /nfs/dbraw/zinc/84/17/53/344841753.db2.gz SUHDMGCXPHDWIO-UHFFFAOYSA-N 1 2 209.249 0.132 20 0 BCADLO CC1(C[N@@H+]2CCn3c(CO)nnc3C2)CCC1 ZINC000432779499 537867690 /nfs/dbraw/zinc/86/76/90/537867690.db2.gz KTHZLAZQIYLRRG-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO CC1(C[N@H+]2CCn3c(CO)nnc3C2)CCC1 ZINC000432779499 537867703 /nfs/dbraw/zinc/86/77/03/537867703.db2.gz KTHZLAZQIYLRRG-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)o1 ZINC000628162867 344861700 /nfs/dbraw/zinc/86/17/00/344861700.db2.gz HIVLJLOEFCYFBV-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)o1 ZINC000628162867 344861702 /nfs/dbraw/zinc/86/17/02/344861702.db2.gz HIVLJLOEFCYFBV-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1c[nH]c(CN(C)CC[NH+]2CCOCC2)n1 ZINC000628162551 344863624 /nfs/dbraw/zinc/86/36/24/344863624.db2.gz VGLNLSMZMAOSQH-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)N2CCCC2)cn1 ZINC000078492482 344873655 /nfs/dbraw/zinc/87/36/55/344873655.db2.gz MVYSBDOYAJCHBJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)N2CCCC2)cn1 ZINC000078492482 344873658 /nfs/dbraw/zinc/87/36/58/344873658.db2.gz MVYSBDOYAJCHBJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000153585336 344910051 /nfs/dbraw/zinc/91/00/51/344910051.db2.gz LQMNOJSOHFBJSR-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO C[N@H+](Cc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000078633770 344892706 /nfs/dbraw/zinc/89/27/06/344892706.db2.gz LLLLNHUQYAOYKT-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000078633770 344892709 /nfs/dbraw/zinc/89/27/09/344892709.db2.gz LLLLNHUQYAOYKT-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000249145429 537872310 /nfs/dbraw/zinc/87/23/10/537872310.db2.gz GGCSEDBODQAMGY-PWSUYJOCSA-N 1 2 237.303 0.712 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000249145429 537872318 /nfs/dbraw/zinc/87/23/18/537872318.db2.gz GGCSEDBODQAMGY-PWSUYJOCSA-N 1 2 237.303 0.712 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628186707 344936537 /nfs/dbraw/zinc/93/65/37/344936537.db2.gz UBTUAIYXVYGHDP-SNVBAGLBSA-N 1 2 236.319 0.819 20 0 BCADLO Nc1nc(N2CCOCC2)nc(C2CC2)[nH+]1 ZINC000082664945 537875344 /nfs/dbraw/zinc/87/53/44/537875344.db2.gz XRLRLOPXJHUGFM-UHFFFAOYSA-N 1 2 221.264 0.168 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCOCC2)n1 ZINC000082664945 537875352 /nfs/dbraw/zinc/87/53/52/537875352.db2.gz XRLRLOPXJHUGFM-UHFFFAOYSA-N 1 2 221.264 0.168 20 0 BCADLO Cc1ncc(C[NH2+]CC(=O)NCc2ccco2)o1 ZINC000628201733 344977122 /nfs/dbraw/zinc/97/71/22/344977122.db2.gz RNXRAIPAVLBMMQ-UHFFFAOYSA-N 1 2 249.270 0.982 20 0 BCADLO Cc1[nH]c(CN2CCN3C(=O)NC[C@H]3C2)[nH+]c1C ZINC000628189765 344942356 /nfs/dbraw/zinc/94/23/56/344942356.db2.gz MKCCCPBHSXDXIU-JTQLQIEISA-N 1 2 249.318 0.236 20 0 BCADLO Cc1c[nH]c(NC(=O)CCn2cc[nH+]c2)n1 ZINC000579309083 344950032 /nfs/dbraw/zinc/95/00/32/344950032.db2.gz AMMOMLWVSCSGKC-UHFFFAOYSA-N 1 2 219.248 0.943 20 0 BCADLO COC(=O)C[N@H+](CCN1CCCC1=O)C1CC1 ZINC000079499267 344980305 /nfs/dbraw/zinc/98/03/05/344980305.db2.gz ZTPLVZPVEKGYBX-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)C[N@@H+](CCN1CCCC1=O)C1CC1 ZINC000079499267 344980306 /nfs/dbraw/zinc/98/03/06/344980306.db2.gz ZTPLVZPVEKGYBX-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)CCC[N@H+](CC(=O)OC)C1CC1 ZINC000079499254 344980452 /nfs/dbraw/zinc/98/04/52/344980452.db2.gz WFZBOOSVYQVRAP-UHFFFAOYSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)CCC[N@@H+](CC(=O)OC)C1CC1 ZINC000079499254 344980454 /nfs/dbraw/zinc/98/04/54/344980454.db2.gz WFZBOOSVYQVRAP-UHFFFAOYSA-N 1 2 229.276 0.577 20 0 BCADLO OCc1cc[nH+]c(N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000641558728 362503060 /nfs/dbraw/zinc/50/30/60/362503060.db2.gz RUDBVKQGSIOOSG-PHIMTYICSA-N 1 2 236.271 0.178 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCO1 ZINC000154787506 345050309 /nfs/dbraw/zinc/05/03/09/345050309.db2.gz ZUQJXOCBWLBFRR-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCO1 ZINC000154787506 345050310 /nfs/dbraw/zinc/05/03/10/345050310.db2.gz ZUQJXOCBWLBFRR-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO Cc1noc(OCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000408277452 345020546 /nfs/dbraw/zinc/02/05/46/345020546.db2.gz AKFXWTMBAZIFLX-QMMMGPOBSA-N 1 2 227.264 0.478 20 0 BCADLO Cc1noc(OCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000408277452 345020551 /nfs/dbraw/zinc/02/05/51/345020551.db2.gz AKFXWTMBAZIFLX-QMMMGPOBSA-N 1 2 227.264 0.478 20 0 BCADLO NC(=O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000678786642 488282759 /nfs/dbraw/zinc/28/27/59/488282759.db2.gz NYNXBJNZESCRAP-UHFFFAOYSA-N 1 2 223.251 0.922 20 0 BCADLO COC[C@@](C)(O)CCNc1cc(CO)cc[nH+]1 ZINC000641614738 362550536 /nfs/dbraw/zinc/55/05/36/362550536.db2.gz WMJSGMIBOCDUFK-LBPRGKRZSA-N 1 2 240.303 0.773 20 0 BCADLO COC[C@@](C)(O)CCNc1cc[nH+]cc1F ZINC000641614461 362550796 /nfs/dbraw/zinc/55/07/96/362550796.db2.gz JYIZOFJEDKWMFI-NSHDSACASA-N 1 2 228.267 0.842 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1nc(C)no1 ZINC000155288998 345075887 /nfs/dbraw/zinc/07/58/87/345075887.db2.gz XQOWJSNRZOHIIL-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1nc(C)no1 ZINC000155288998 345075888 /nfs/dbraw/zinc/07/58/88/345075888.db2.gz XQOWJSNRZOHIIL-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000641588213 362528997 /nfs/dbraw/zinc/52/89/97/362528997.db2.gz PCOSGWGOCNLDNW-GWCFXTLKSA-N 1 2 243.266 0.541 20 0 BCADLO Cc1nc(N2C[C@H](O)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408292674 345063103 /nfs/dbraw/zinc/06/31/03/345063103.db2.gz UNBAJGQJOPSQGX-IONNQARKSA-N 1 2 237.307 0.206 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H](O)C[C@@H]2C)[nH+]1 ZINC000408292674 345063105 /nfs/dbraw/zinc/06/31/05/345063105.db2.gz UNBAJGQJOPSQGX-IONNQARKSA-N 1 2 237.307 0.206 20 0 BCADLO OCc1cc[nH+]c(N2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000641606393 362543626 /nfs/dbraw/zinc/54/36/26/362543626.db2.gz ONQSRIPEYRJIRR-URLYPYJESA-N 1 2 220.272 0.248 20 0 BCADLO CC(C)(F)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641636729 362569102 /nfs/dbraw/zinc/56/91/02/362569102.db2.gz HWMWTAJGYHBYHE-UHFFFAOYSA-N 1 2 249.311 0.551 20 0 BCADLO CCN1C[C@@H](CNc2cc(CO)cc[nH+]2)CC1=O ZINC000641650425 362575399 /nfs/dbraw/zinc/57/53/99/362575399.db2.gz VFHIERDPZCUHJU-LLVKDONJSA-N 1 2 249.314 0.854 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000188630650 259382532 /nfs/dbraw/zinc/38/25/32/259382532.db2.gz QOVKDQLJQILEDA-ZCFIWIBFSA-N 1 2 229.198 0.405 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000188630650 259382533 /nfs/dbraw/zinc/38/25/33/259382533.db2.gz QOVKDQLJQILEDA-ZCFIWIBFSA-N 1 2 229.198 0.405 20 0 BCADLO O=C1CCCN1CCNc1cc[nH+]cc1F ZINC000641649247 362575531 /nfs/dbraw/zinc/57/55/31/362575531.db2.gz ASFVOWKQWVJRPL-UHFFFAOYSA-N 1 2 223.251 0.677 20 0 BCADLO OCc1cc[nH+]c(N[C@@H](CO)CCF)c1 ZINC000641652187 362578585 /nfs/dbraw/zinc/57/85/85/362578585.db2.gz JLKJXXGPUZEGBJ-SECBINFHSA-N 1 2 214.240 0.706 20 0 BCADLO O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360821688 187300400 /nfs/dbraw/zinc/30/04/00/187300400.db2.gz ZQFHQXGAAHKGJB-DJLDLDEBSA-N 1 2 248.273 0.261 20 0 BCADLO C[N@H+](CCc1nccs1)[C@H]1CCOC1=O ZINC000157599551 187300457 /nfs/dbraw/zinc/30/04/57/187300457.db2.gz QJXOLQLCRVVOSF-QMMMGPOBSA-N 1 2 226.301 0.933 20 0 BCADLO C[N@@H+](CCc1nccs1)[C@H]1CCOC1=O ZINC000157599551 187300458 /nfs/dbraw/zinc/30/04/58/187300458.db2.gz QJXOLQLCRVVOSF-QMMMGPOBSA-N 1 2 226.301 0.933 20 0 BCADLO OCc1cc[nH+]c(N2CCn3nncc3C2)c1 ZINC000641655705 362580120 /nfs/dbraw/zinc/58/01/20/362580120.db2.gz WDHWAYALEXFIHM-UHFFFAOYSA-N 1 2 231.259 0.186 20 0 BCADLO C[C@@]1(CNc2cc[nH+]cc2F)CCC(=O)N1 ZINC000641625977 362555284 /nfs/dbraw/zinc/55/52/84/362555284.db2.gz YHCSRIIGXALCIS-NSHDSACASA-N 1 2 223.251 0.723 20 0 BCADLO CCO[C@@H]1COC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641624981 362557856 /nfs/dbraw/zinc/55/78/56/362557856.db2.gz QVZMBYYTKOXCDO-GHMZBOCLSA-N 1 2 238.287 0.790 20 0 BCADLO NC(=O)CC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641638700 362566385 /nfs/dbraw/zinc/56/63/85/362566385.db2.gz GCUUODHTPICUHQ-UHFFFAOYSA-N 1 2 235.287 0.641 20 0 BCADLO C[C@@H]([NH2+]Cc1ccon1)C1(S(C)(=O)=O)CC1 ZINC000634981043 345164520 /nfs/dbraw/zinc/16/45/20/345164520.db2.gz VQDYRTPECADPDH-MRVPVSSYSA-N 1 2 244.316 0.730 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2ccon2)CS1(=O)=O ZINC000634985833 345164878 /nfs/dbraw/zinc/16/48/78/345164878.db2.gz DPWMBWPQAMVXPN-WPRPVWTQSA-N 1 2 244.316 0.730 20 0 BCADLO Cc1nc(N2CCC(O)CC2)nc(N(C)C)[nH+]1 ZINC000408328241 345175726 /nfs/dbraw/zinc/17/57/26/345175726.db2.gz IQLFTYOCSIYORY-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC(O)CC2)[nH+]1 ZINC000408328241 345175728 /nfs/dbraw/zinc/17/57/28/345175728.db2.gz IQLFTYOCSIYORY-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc[nH+]1 ZINC000156553922 345175999 /nfs/dbraw/zinc/17/59/99/345175999.db2.gz NONSYIMDTBUQGV-AXFHLTTASA-N 1 2 219.288 0.992 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156109663 345125343 /nfs/dbraw/zinc/12/53/43/345125343.db2.gz YDAWYCWAJGBHTO-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156109663 345125344 /nfs/dbraw/zinc/12/53/44/345125344.db2.gz YDAWYCWAJGBHTO-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)N1C[C@@H]([NH2+]Cc2ccon2)CC1=O ZINC000634963013 345137108 /nfs/dbraw/zinc/13/71/08/345137108.db2.gz HSTFFJAKTUKRAD-JTQLQIEISA-N 1 2 223.276 0.774 20 0 BCADLO CC(C)N1C[C@H]([NH2+]Cc2ccon2)CC1=O ZINC000634963014 345137284 /nfs/dbraw/zinc/13/72/84/345137284.db2.gz HSTFFJAKTUKRAD-SNVBAGLBSA-N 1 2 223.276 0.774 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156261387 345142894 /nfs/dbraw/zinc/14/28/94/345142894.db2.gz OVCACNITJYOCQH-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156261387 345142895 /nfs/dbraw/zinc/14/28/95/345142895.db2.gz OVCACNITJYOCQH-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H](C)O1 ZINC000425257228 192086009 /nfs/dbraw/zinc/08/60/09/192086009.db2.gz IMYLOCGWCPVZOA-NXEZZACHSA-N 1 2 236.271 0.848 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H]2CCCO2)[nH+]1 ZINC000635060198 345230410 /nfs/dbraw/zinc/23/04/10/345230410.db2.gz TZDVHMJLFHDFJQ-SNVBAGLBSA-N 1 2 237.303 0.810 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000635056810 345231017 /nfs/dbraw/zinc/23/10/17/345231017.db2.gz KYEUFTZXEMZVJN-JTQLQIEISA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)C[C@H](C(=O)NCCO)n1cc[nH+]c1 ZINC000635062501 345234390 /nfs/dbraw/zinc/23/43/90/345234390.db2.gz MAPLCVYDPWLYFO-SNVBAGLBSA-N 1 2 225.292 0.579 20 0 BCADLO Cc1nc(NCC(C)(C)C(N)=O)cc[nH+]1 ZINC000230900229 349925849 /nfs/dbraw/zinc/92/58/49/349925849.db2.gz LQTVZGGNUNSNPL-UHFFFAOYSA-N 1 2 208.265 0.708 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@@H](C)C(N)=O)cc2[nH+]1 ZINC000635158099 345261268 /nfs/dbraw/zinc/26/12/68/345261268.db2.gz PEHOBDJHVVEIGJ-QMMMGPOBSA-N 1 2 246.270 0.246 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC(=O)CC2)[nH+]1 ZINC000635207269 345272555 /nfs/dbraw/zinc/27/25/55/345272555.db2.gz NEGAPHXOABRJJZ-UHFFFAOYSA-N 1 2 235.287 0.706 20 0 BCADLO CCc1c[nH]c(CC(=O)N(CC)CCO)[nH+]1 ZINC000635247586 345284091 /nfs/dbraw/zinc/28/40/91/345284091.db2.gz BKBKSPGMUDWKAB-UHFFFAOYSA-N 1 2 225.292 0.355 20 0 BCADLO CCCN(CCO)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635248652 345285574 /nfs/dbraw/zinc/28/55/74/345285574.db2.gz MWYICTKDRJKFCX-UHFFFAOYSA-N 1 2 239.319 0.746 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635249058 345286314 /nfs/dbraw/zinc/28/63/14/345286314.db2.gz QMQDMRZIMSJVSW-RKDXNWHRSA-N 1 2 223.276 0.354 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635249058 345286316 /nfs/dbraw/zinc/28/63/16/345286316.db2.gz QMQDMRZIMSJVSW-RKDXNWHRSA-N 1 2 223.276 0.354 20 0 BCADLO CCc1cc(C(=O)NCCn2cc[nH+]c2)n(C)n1 ZINC000635279642 345294656 /nfs/dbraw/zinc/29/46/56/345294656.db2.gz GONDVDDQNJMHKJ-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635285409 345295060 /nfs/dbraw/zinc/29/50/60/345295060.db2.gz UVHMUFASOFKWNW-PHIMTYICSA-N 1 2 249.314 0.535 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCSC1 ZINC000080638379 345377420 /nfs/dbraw/zinc/37/74/20/345377420.db2.gz CWORHRSKPVCLSR-SECBINFHSA-N 1 2 240.332 0.688 20 0 BCADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Cn1cc[nH+]c1 ZINC000569639975 345378795 /nfs/dbraw/zinc/37/87/95/345378795.db2.gz PDHCGUGTGQSICK-NSHDSACASA-N 1 2 247.302 0.532 20 0 BCADLO C[C@@H](CNC(=O)Cn1ccnc1)Cn1cc[nH+]c1 ZINC000569639975 345378797 /nfs/dbraw/zinc/37/87/97/345378797.db2.gz PDHCGUGTGQSICK-NSHDSACASA-N 1 2 247.302 0.532 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCNC1=O ZINC000635457525 345380406 /nfs/dbraw/zinc/38/04/06/345380406.db2.gz GMVJGWDMSXWEQL-GFCCVEGCSA-N 1 2 249.270 0.555 20 0 BCADLO Cn1c(C[N@H+](C)CCCO)nnc1C1CC1 ZINC000080647669 345385259 /nfs/dbraw/zinc/38/52/59/345385259.db2.gz SIHTYSNPSTYSQJ-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO Cn1c(C[N@@H+](C)CCCO)nnc1C1CC1 ZINC000080647669 345385262 /nfs/dbraw/zinc/38/52/62/345385262.db2.gz SIHTYSNPSTYSQJ-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO Cc1ccc([C@@H]2C[N@H+](CCO)CCO2)o1 ZINC000159016412 345400022 /nfs/dbraw/zinc/40/00/22/345400022.db2.gz UFHUNRMKEZNQLM-NSHDSACASA-N 1 2 211.261 0.954 20 0 BCADLO Cc1ccc([C@@H]2C[N@@H+](CCO)CCO2)o1 ZINC000159016412 345400024 /nfs/dbraw/zinc/40/00/24/345400024.db2.gz UFHUNRMKEZNQLM-NSHDSACASA-N 1 2 211.261 0.954 20 0 BCADLO COC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000641674797 362593853 /nfs/dbraw/zinc/59/38/53/362593853.db2.gz JWIYSEWCAVCAGY-BDAKNGLRSA-N 1 2 225.292 0.739 20 0 BCADLO COC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000641674797 362593858 /nfs/dbraw/zinc/59/38/58/362593858.db2.gz JWIYSEWCAVCAGY-BDAKNGLRSA-N 1 2 225.292 0.739 20 0 BCADLO Cc1nc(N2CC([C@@H](C)O)C2)nc(N(C)C)[nH+]1 ZINC000641659320 362584605 /nfs/dbraw/zinc/58/46/05/362584605.db2.gz PNFOVZNRPDGLDK-SSDOTTSWSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC([C@@H](C)O)C2)[nH+]1 ZINC000641659320 362584609 /nfs/dbraw/zinc/58/46/09/362584609.db2.gz PNFOVZNRPDGLDK-SSDOTTSWSA-N 1 2 237.307 0.063 20 0 BCADLO C[C@H](Nc1nccnc1C(N)=O)c1[nH+]ccn1C ZINC000641664740 362589527 /nfs/dbraw/zinc/58/95/27/362589527.db2.gz LPLFUHZCSXGHRQ-ZETCQYMHSA-N 1 2 246.274 0.482 20 0 BCADLO COC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000641674138 362591500 /nfs/dbraw/zinc/59/15/00/362591500.db2.gz NUFPSRWTJLQLGR-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO COC[C@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000081453591 345475445 /nfs/dbraw/zinc/47/54/45/345475445.db2.gz AJVQQVHEOLCVOI-JTQLQIEISA-N 1 2 225.292 0.670 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)CCCO)n1 ZINC000081564040 345479166 /nfs/dbraw/zinc/47/91/66/345479166.db2.gz PEUDJJAJTHEBQH-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000081564040 345479168 /nfs/dbraw/zinc/47/91/68/345479168.db2.gz PEUDJJAJTHEBQH-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCNC1=O ZINC000635535715 345483186 /nfs/dbraw/zinc/48/31/86/345483186.db2.gz OLQHDWIEUZAOJV-LBPRGKRZSA-N 1 2 233.271 0.277 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1n[nH]c(=O)[nH]1 ZINC000089267566 345552681 /nfs/dbraw/zinc/55/26/81/345552681.db2.gz ZJNWEHVPFQBQIF-UHFFFAOYSA-N 1 2 233.275 0.168 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1n[nH]c(=O)[nH]1 ZINC000089267566 345552683 /nfs/dbraw/zinc/55/26/83/345552683.db2.gz ZJNWEHVPFQBQIF-UHFFFAOYSA-N 1 2 233.275 0.168 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ncccc1F ZINC000084485767 345514823 /nfs/dbraw/zinc/51/48/23/345514823.db2.gz SOOMTCGPDNGERK-UHFFFAOYSA-N 1 2 239.294 0.989 20 0 BCADLO NC(=O)C1(CNc2cccc[nH+]2)CCOCC1 ZINC000091483228 345594983 /nfs/dbraw/zinc/59/49/83/345594983.db2.gz UFKQZARIAYMYLU-UHFFFAOYSA-N 1 2 235.287 0.776 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)Cc2cc[nH]n2)[nH+]1 ZINC000635552585 345636652 /nfs/dbraw/zinc/63/66/52/345636652.db2.gz SENPRBYBHYPREY-UHFFFAOYSA-N 1 2 247.302 0.896 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000091579304 345598331 /nfs/dbraw/zinc/59/83/31/345598331.db2.gz RNUCUUOCCBHFBZ-RNFRBKRXSA-N 1 2 228.321 0.424 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000091579304 345598333 /nfs/dbraw/zinc/59/83/33/345598333.db2.gz RNUCUUOCCBHFBZ-RNFRBKRXSA-N 1 2 228.321 0.424 20 0 BCADLO CCCC[N@H+](CCOC)Cc1n[nH]c(=O)[nH]1 ZINC000091574913 345598412 /nfs/dbraw/zinc/59/84/12/345598412.db2.gz XGJBPSZDWRLYDQ-UHFFFAOYSA-N 1 2 228.296 0.759 20 0 BCADLO CCCC[N@@H+](CCOC)Cc1n[nH]c(=O)[nH]1 ZINC000091574913 345598413 /nfs/dbraw/zinc/59/84/13/345598413.db2.gz XGJBPSZDWRLYDQ-UHFFFAOYSA-N 1 2 228.296 0.759 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000092189307 345605570 /nfs/dbraw/zinc/60/55/70/345605570.db2.gz CIZBOFMPNMTAGP-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092189307 345605573 /nfs/dbraw/zinc/60/55/73/345605573.db2.gz CIZBOFMPNMTAGP-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865209 345612024 /nfs/dbraw/zinc/61/20/24/345612024.db2.gz XEQZRAFEGFBCKS-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO Cc1ccoc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865209 345612027 /nfs/dbraw/zinc/61/20/27/345612027.db2.gz XEQZRAFEGFBCKS-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000093278049 345660364 /nfs/dbraw/zinc/66/03/64/345660364.db2.gz ZQWHCPDXQXTGPF-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000093278049 345660369 /nfs/dbraw/zinc/66/03/69/345660369.db2.gz ZQWHCPDXQXTGPF-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000093278049 345660373 /nfs/dbraw/zinc/66/03/73/345660373.db2.gz ZQWHCPDXQXTGPF-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000093278049 345660374 /nfs/dbraw/zinc/66/03/74/345660374.db2.gz ZQWHCPDXQXTGPF-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO CC(C)(C)C[N@H+](CCCO)Cc1n[nH]c(=O)[nH]1 ZINC000092618573 345641710 /nfs/dbraw/zinc/64/17/10/345641710.db2.gz PMPUHHXOGWIHKG-UHFFFAOYSA-N 1 2 242.323 0.329 20 0 BCADLO CC(C)(C)C[N@@H+](CCCO)Cc1n[nH]c(=O)[nH]1 ZINC000092618573 345641712 /nfs/dbraw/zinc/64/17/12/345641712.db2.gz PMPUHHXOGWIHKG-UHFFFAOYSA-N 1 2 242.323 0.329 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000641711288 362620807 /nfs/dbraw/zinc/62/08/07/362620807.db2.gz BNQLOTIFYIMGNU-ZWNOBZJWSA-N 1 2 246.314 0.648 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000641711288 362620809 /nfs/dbraw/zinc/62/08/09/362620809.db2.gz BNQLOTIFYIMGNU-ZWNOBZJWSA-N 1 2 246.314 0.648 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(-n3cc[nH+]c3)ncn1)C2 ZINC000641712002 362622915 /nfs/dbraw/zinc/62/29/15/362622915.db2.gz HMPYIXRSLUWSEI-CABZTGNLSA-N 1 2 243.270 0.233 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@H](C)[C@H](O)C2)n1 ZINC000093333098 345652375 /nfs/dbraw/zinc/65/23/75/345652375.db2.gz OZYZHJCZAMJENY-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)n1 ZINC000093333098 345652378 /nfs/dbraw/zinc/65/23/78/345652378.db2.gz OZYZHJCZAMJENY-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO c1cc(Cn2cc[nH+]c2CN2CCOCC2)on1 ZINC000641723073 362637930 /nfs/dbraw/zinc/63/79/30/362637930.db2.gz WOHHPSSFKVUIPE-UHFFFAOYSA-N 1 2 248.286 0.752 20 0 BCADLO CCCCO[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000143472336 345706441 /nfs/dbraw/zinc/70/64/41/345706441.db2.gz LNACYNSQYNINMN-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO COC(=O)[C@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000164047160 345738591 /nfs/dbraw/zinc/73/85/91/345738591.db2.gz LPQWRQVNVRVLAA-QMMMGPOBSA-N 1 2 231.292 0.727 20 0 BCADLO CC1(C)COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000140145684 345806328 /nfs/dbraw/zinc/80/63/28/345806328.db2.gz IEWCTGLFXLSHMP-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)COCC[N@H+]1CC(=O)NCC1CC1 ZINC000140145684 345806330 /nfs/dbraw/zinc/80/63/30/345806330.db2.gz IEWCTGLFXLSHMP-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685791 345801936 /nfs/dbraw/zinc/80/19/36/345801936.db2.gz KQGCZTQTIJKVHJ-GFCCVEGCSA-N 1 2 239.319 0.630 20 0 BCADLO C[N@H+](CC(=O)Nc1nn[nH]n1)CC(C)(C)C ZINC000635576231 345848953 /nfs/dbraw/zinc/84/89/53/345848953.db2.gz MRSHBBPHQYWYIT-UHFFFAOYSA-N 1 2 226.284 0.116 20 0 BCADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)CC(C)(C)C ZINC000635576231 345848955 /nfs/dbraw/zinc/84/89/55/345848955.db2.gz MRSHBBPHQYWYIT-UHFFFAOYSA-N 1 2 226.284 0.116 20 0 BCADLO O=C(Nc1nn[nH]n1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635578264 345870417 /nfs/dbraw/zinc/87/04/17/345870417.db2.gz WMHDZGIXXDWABA-MRVPVSSYSA-N 1 2 236.279 0.155 20 0 BCADLO O=C(Nc1nn[nH]n1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635578264 345870420 /nfs/dbraw/zinc/87/04/20/345870420.db2.gz WMHDZGIXXDWABA-MRVPVSSYSA-N 1 2 236.279 0.155 20 0 BCADLO CCOC(=O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276434661 345897572 /nfs/dbraw/zinc/89/75/72/345897572.db2.gz LJNUBVJYEBOJKU-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCOC(=O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276434661 345897573 /nfs/dbraw/zinc/89/75/73/345897573.db2.gz LJNUBVJYEBOJKU-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cncnc1 ZINC000349543048 537917378 /nfs/dbraw/zinc/91/73/78/537917378.db2.gz DGKUSGZDZCIIDY-UHFFFAOYSA-N 1 2 220.276 0.187 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cncnc1 ZINC000349543048 537917382 /nfs/dbraw/zinc/91/73/82/537917382.db2.gz DGKUSGZDZCIIDY-UHFFFAOYSA-N 1 2 220.276 0.187 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000626158677 345899973 /nfs/dbraw/zinc/89/99/73/345899973.db2.gz YEZXUOCUGGUELJ-LBPRGKRZSA-N 1 2 248.330 0.967 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000626158677 345899975 /nfs/dbraw/zinc/89/99/75/345899975.db2.gz YEZXUOCUGGUELJ-LBPRGKRZSA-N 1 2 248.330 0.967 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nc[nH]n1 ZINC000635631588 345906846 /nfs/dbraw/zinc/90/68/46/345906846.db2.gz KMNXHAGKEXUAOX-IUCAKERBSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nc[nH]n1 ZINC000635631588 345906851 /nfs/dbraw/zinc/90/68/51/345906851.db2.gz KMNXHAGKEXUAOX-IUCAKERBSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnc[nH]1 ZINC000635631588 345906855 /nfs/dbraw/zinc/90/68/55/345906855.db2.gz KMNXHAGKEXUAOX-IUCAKERBSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nnc[nH]1 ZINC000635631588 345906858 /nfs/dbraw/zinc/90/68/58/345906858.db2.gz KMNXHAGKEXUAOX-IUCAKERBSA-N 1 2 237.307 0.466 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC(F)F)[nH+]1 ZINC000635633168 345911634 /nfs/dbraw/zinc/91/16/34/345911634.db2.gz CTQVHORNYHQLAF-UHFFFAOYSA-N 1 2 217.219 0.896 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635681720 345976309 /nfs/dbraw/zinc/97/63/09/345976309.db2.gz NLJBQPZGMMXRMW-FXPVBKGRSA-N 1 2 235.287 0.400 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635681720 345976313 /nfs/dbraw/zinc/97/63/13/345976313.db2.gz NLJBQPZGMMXRMW-FXPVBKGRSA-N 1 2 235.287 0.400 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000577076081 365806638 /nfs/dbraw/zinc/80/66/38/365806638.db2.gz BOLTYYDUKPKJKV-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)[NH+](C)C ZINC000635702971 345990361 /nfs/dbraw/zinc/99/03/61/345990361.db2.gz ISYGOMQIOXNKOS-SCZZXKLOSA-N 1 2 236.319 0.853 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000635756770 346051116 /nfs/dbraw/zinc/05/11/16/346051116.db2.gz JGHPYJVJHUJETM-PSASIEDQSA-N 1 2 237.303 0.354 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000635756772 346051260 /nfs/dbraw/zinc/05/12/60/346051260.db2.gz JGHPYJVJHUJETM-WCBMZHEXSA-N 1 2 237.303 0.354 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(F)(F)C2)[nH+]1 ZINC000635781732 346056853 /nfs/dbraw/zinc/05/68/53/346056853.db2.gz NXIKPBUZZWRGFG-UHFFFAOYSA-N 1 2 229.230 0.992 20 0 BCADLO Cc1nnc(C[NH+]2CCC(CCO)CC2)[nH]1 ZINC000400983326 346026115 /nfs/dbraw/zinc/02/61/15/346026115.db2.gz TUDMJUCGASQWAI-UHFFFAOYSA-N 1 2 224.308 0.708 20 0 BCADLO CC[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)c1[nH]cc[nH+]1 ZINC000635806658 346072581 /nfs/dbraw/zinc/07/25/81/346072581.db2.gz JGYYXCOXLGKERB-HRDYMLBCSA-N 1 2 223.276 0.748 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000635819878 346075388 /nfs/dbraw/zinc/07/53/88/346075388.db2.gz IXFUCKUZUNPADR-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364320121 187314342 /nfs/dbraw/zinc/31/43/42/187314342.db2.gz VZKNTODXWRNRLW-VIFPVBQESA-N 1 2 227.304 0.785 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364320121 187314343 /nfs/dbraw/zinc/31/43/43/187314343.db2.gz VZKNTODXWRNRLW-VIFPVBQESA-N 1 2 227.304 0.785 20 0 BCADLO C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)[NH+](C)C ZINC000635840842 346083722 /nfs/dbraw/zinc/08/37/22/346083722.db2.gz IGCLYOQSYXEEKM-MRVPVSSYSA-N 1 2 237.307 0.250 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CCCCO)[nH+]1 ZINC000635851363 346090808 /nfs/dbraw/zinc/09/08/08/346090808.db2.gz DBEGILQYJKOFNN-UHFFFAOYSA-N 1 2 239.319 0.746 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCC[C@@H](C)O)[nH+]1 ZINC000635869442 346098410 /nfs/dbraw/zinc/09/84/10/346098410.db2.gz QNEXUODFOWXTGL-SECBINFHSA-N 1 2 239.319 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)[nH+]1 ZINC000635882676 346101585 /nfs/dbraw/zinc/10/15/85/346101585.db2.gz ZIUYCYOJLGZVPQ-GDGBQDQQSA-N 1 2 235.287 0.276 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1C ZINC000635792223 346064467 /nfs/dbraw/zinc/06/44/67/346064467.db2.gz DDQMTZIUUDWFQM-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1C ZINC000635792223 346064468 /nfs/dbraw/zinc/06/44/68/346064468.db2.gz DDQMTZIUUDWFQM-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@](C)(O)C2)nn1 ZINC000332661924 187365572 /nfs/dbraw/zinc/36/55/72/187365572.db2.gz OTGLCUYAOHHYLZ-LBPRGKRZSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC[C@](C)(O)C2)nn1 ZINC000332661924 187365574 /nfs/dbraw/zinc/36/55/74/187365574.db2.gz OTGLCUYAOHHYLZ-LBPRGKRZSA-N 1 2 238.335 0.990 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)O ZINC000635991571 346142068 /nfs/dbraw/zinc/14/20/68/346142068.db2.gz PGRRIOLANIPBLP-JLIMGVALSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)O ZINC000635991571 346142069 /nfs/dbraw/zinc/14/20/69/346142069.db2.gz PGRRIOLANIPBLP-JLIMGVALSA-N 1 2 237.303 0.789 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000635918165 346108913 /nfs/dbraw/zinc/10/89/13/346108913.db2.gz OZNQGVQTIDNJGX-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635956206 346131647 /nfs/dbraw/zinc/13/16/47/346131647.db2.gz YNLSDHMWBSMCAT-DJLDLDEBSA-N 1 2 223.276 0.400 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635956206 346131650 /nfs/dbraw/zinc/13/16/50/346131650.db2.gz YNLSDHMWBSMCAT-DJLDLDEBSA-N 1 2 223.276 0.400 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@H]2C[C@H]21 ZINC000635956207 346131823 /nfs/dbraw/zinc/13/18/23/346131823.db2.gz VWMODCHROGWMSE-OYBPUVFXSA-N 1 2 233.271 0.513 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@H]2C[C@H]21 ZINC000635956207 346131826 /nfs/dbraw/zinc/13/18/26/346131826.db2.gz VWMODCHROGWMSE-OYBPUVFXSA-N 1 2 233.271 0.513 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000635961019 346133514 /nfs/dbraw/zinc/13/35/14/346133514.db2.gz MKWXIQXXEFGVHW-QMMMGPOBSA-N 1 2 223.280 0.238 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000635961019 346133515 /nfs/dbraw/zinc/13/35/15/346133515.db2.gz MKWXIQXXEFGVHW-QMMMGPOBSA-N 1 2 223.280 0.238 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635963466 346134988 /nfs/dbraw/zinc/13/49/88/346134988.db2.gz ULSWZHUZTPNRMR-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635963466 346134990 /nfs/dbraw/zinc/13/49/90/346134990.db2.gz ULSWZHUZTPNRMR-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000586874979 346166054 /nfs/dbraw/zinc/16/60/54/346166054.db2.gz FUABWEKAVJYQSV-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000586874979 346166055 /nfs/dbraw/zinc/16/60/55/346166055.db2.gz FUABWEKAVJYQSV-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000586874978 346166236 /nfs/dbraw/zinc/16/62/36/346166236.db2.gz FUABWEKAVJYQSV-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000586874978 346166239 /nfs/dbraw/zinc/16/62/39/346166239.db2.gz FUABWEKAVJYQSV-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)c2[nH+]ccn21 ZINC000635994947 346144787 /nfs/dbraw/zinc/14/47/87/346144787.db2.gz KBHZNCYNEVJGPF-QEYWKRMJSA-N 1 2 235.287 0.776 20 0 BCADLO O=C(NC[C@H](O)C1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636006743 346148504 /nfs/dbraw/zinc/14/85/04/346148504.db2.gz CBTJGCFGPDQVMN-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NC[C@H](O)C1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636006743 346148506 /nfs/dbraw/zinc/14/85/06/346148506.db2.gz CBTJGCFGPDQVMN-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577077868 365807925 /nfs/dbraw/zinc/80/79/25/365807925.db2.gz VGKIMOUGLXVHEE-HTQZYQBOSA-N 1 2 239.275 0.786 20 0 BCADLO Cc1ncc(CN[C@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000628228955 346177885 /nfs/dbraw/zinc/17/78/85/346177885.db2.gz FOCJWQDQYXYGGB-SKDRFNHKSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncc(CN[C@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000628228955 346177888 /nfs/dbraw/zinc/17/78/88/346177888.db2.gz FOCJWQDQYXYGGB-SKDRFNHKSA-N 1 2 239.319 0.792 20 0 BCADLO CC(=O)N1CC(C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000577077760 365808025 /nfs/dbraw/zinc/80/80/25/365808025.db2.gz UCEJMKMFNOTPGR-SSDOTTSWSA-N 1 2 236.275 0.065 20 0 BCADLO Cc1nc(C[N@@H+](C)C2CC(O)C2)[nH]c1C ZINC000628239032 346198706 /nfs/dbraw/zinc/19/87/06/346198706.db2.gz ZVKMPJOTVPOBCE-UHFFFAOYSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1nc(C[N@H+](C)C2CC(O)C2)[nH]c1C ZINC000628239032 346198707 /nfs/dbraw/zinc/19/87/07/346198707.db2.gz ZVKMPJOTVPOBCE-UHFFFAOYSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]c(CN(C)C2CC(O)C2)[nH+]c1C ZINC000628239032 346198709 /nfs/dbraw/zinc/19/87/09/346198709.db2.gz ZVKMPJOTVPOBCE-UHFFFAOYSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](F)C[C@H]2CO)[nH+]1 ZINC000628243965 346207699 /nfs/dbraw/zinc/20/76/99/346207699.db2.gz NZRWKGNQWOIBBX-IUCAKERBSA-N 1 2 213.256 0.623 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@@H](C)O1 ZINC000628244660 346208949 /nfs/dbraw/zinc/20/89/49/346208949.db2.gz RBLBFLBWUZWVHD-GHMZBOCLSA-N 1 2 239.319 0.954 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000628247432 346215490 /nfs/dbraw/zinc/21/54/90/346215490.db2.gz ANMCOUZVADMFTE-HOSYDEDBSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000628247432 346215492 /nfs/dbraw/zinc/21/54/92/346215492.db2.gz ANMCOUZVADMFTE-HOSYDEDBSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000628247165 346214200 /nfs/dbraw/zinc/21/42/00/346214200.db2.gz QHGOVGNZWJZALC-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000628247165 346214203 /nfs/dbraw/zinc/21/42/03/346214203.db2.gz QHGOVGNZWJZALC-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1[nH]c(CN2CCn3c(n[nH]c3=O)C2)[nH+]c1C ZINC000628238557 346196515 /nfs/dbraw/zinc/19/65/15/346196515.db2.gz DQHHUHJJADCOBN-UHFFFAOYSA-N 1 2 248.290 0.339 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](O)CC(F)(F)C2)[nH+]1 ZINC000628248306 346216394 /nfs/dbraw/zinc/21/63/94/346216394.db2.gz IKSDODAGVAUXCI-QMMMGPOBSA-N 1 2 231.246 0.920 20 0 BCADLO CNS(=O)(=O)CCCNc1cccc[nH+]1 ZINC000631481513 346241481 /nfs/dbraw/zinc/24/14/81/346241481.db2.gz QRTUTZYLQHZHKC-UHFFFAOYSA-N 1 2 229.305 0.433 20 0 BCADLO Cc1ncc(C[NH2+]CC(=O)NCC(F)F)o1 ZINC000628257390 346256192 /nfs/dbraw/zinc/25/61/92/346256192.db2.gz LIZDXBSMJOJBHF-UHFFFAOYSA-N 1 2 233.218 0.454 20 0 BCADLO Cc1nc(C[N@H+](C)CCC(N)=O)[nH]c1C ZINC000628275449 346285038 /nfs/dbraw/zinc/28/50/38/346285038.db2.gz NVSFZCHGDCYCKP-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO Cc1nc(C[N@@H+](C)CCC(N)=O)[nH]c1C ZINC000628275449 346285041 /nfs/dbraw/zinc/28/50/41/346285041.db2.gz NVSFZCHGDCYCKP-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO Cc1[nH]c(CN(C)CCC(N)=O)[nH+]c1C ZINC000628275449 346285044 /nfs/dbraw/zinc/28/50/44/346285044.db2.gz NVSFZCHGDCYCKP-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3COC[C@H](C2)O3)[nH+]c1C ZINC000628264184 346263619 /nfs/dbraw/zinc/26/36/19/346263619.db2.gz CTTBJCFGIWBTEG-PHIMTYICSA-N 1 2 237.303 0.626 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@H](C(=O)C3CC3)C2)[nH+]1 ZINC000628264934 346266029 /nfs/dbraw/zinc/26/60/29/346266029.db2.gz JHWBYZYKLFCINQ-NSHDSACASA-N 1 2 249.314 0.898 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603422049 349948369 /nfs/dbraw/zinc/94/83/69/349948369.db2.gz FVBSDPHPTRJCJM-ZWNOBZJWSA-N 1 2 248.282 0.368 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000064628832 346333504 /nfs/dbraw/zinc/33/35/04/346333504.db2.gz MCSIMZASIXQNJO-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000064628832 346333507 /nfs/dbraw/zinc/33/35/07/346333507.db2.gz MCSIMZASIXQNJO-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC1(F)F ZINC000636102153 346319521 /nfs/dbraw/zinc/31/95/21/346319521.db2.gz MYDHTPIDRBADCB-IONNQARKSA-N 1 2 241.241 0.969 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(CO)CC1 ZINC000636176080 346345666 /nfs/dbraw/zinc/34/56/66/346345666.db2.gz MOAFSDYOZVNWSF-OPRDCNLKSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(CO)CC1 ZINC000636176080 346345670 /nfs/dbraw/zinc/34/56/70/346345670.db2.gz MOAFSDYOZVNWSF-OPRDCNLKSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(CO)CC1 ZINC000636176079 346345688 /nfs/dbraw/zinc/34/56/88/346345688.db2.gz MOAFSDYOZVNWSF-IVZWLZJFSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(CO)CC1 ZINC000636176079 346345691 /nfs/dbraw/zinc/34/56/91/346345691.db2.gz MOAFSDYOZVNWSF-IVZWLZJFSA-N 1 2 249.314 0.790 20 0 BCADLO CO[C@@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618136583 346370802 /nfs/dbraw/zinc/37/08/02/346370802.db2.gz UHRUCQQNBGCMBR-QMMMGPOBSA-N 1 2 225.292 0.838 20 0 BCADLO CC[C@H]([NH2+]CCc1nccnc1C)C(=O)OC ZINC000419196202 192101496 /nfs/dbraw/zinc/10/14/96/192101496.db2.gz ZBIUNSUVHYFRRT-JTQLQIEISA-N 1 2 237.303 0.869 20 0 BCADLO CC(C)N(C(=O)[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000336359979 187367215 /nfs/dbraw/zinc/36/72/15/187367215.db2.gz WZWCGOLMRNYHLV-LLVKDONJSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C(=O)[C@H]1COCC[N@H+]1C)C1CC1 ZINC000336359979 187367217 /nfs/dbraw/zinc/36/72/17/187367217.db2.gz WZWCGOLMRNYHLV-LLVKDONJSA-N 1 2 226.320 0.716 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000636329374 346398843 /nfs/dbraw/zinc/39/88/43/346398843.db2.gz JXJAGKMSELDWND-UWVGGRQHSA-N 1 2 237.303 0.544 20 0 BCADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000333053754 537976806 /nfs/dbraw/zinc/97/68/06/537976806.db2.gz COERVSRWQDIXSI-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000333053754 537976809 /nfs/dbraw/zinc/97/68/09/537976809.db2.gz COERVSRWQDIXSI-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332598911 346420446 /nfs/dbraw/zinc/42/04/46/346420446.db2.gz ALMCHQZHBBABAS-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332598911 346420448 /nfs/dbraw/zinc/42/04/48/346420448.db2.gz ALMCHQZHBBABAS-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1cc(NC(=O)Cn2cc[nH+]c2)n(C)n1 ZINC000574950560 346429218 /nfs/dbraw/zinc/42/92/18/346429218.db2.gz UQVIQCFUSMYMKI-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO CC[C@](O)(C[NH+]1CCN(C)CC1)C(F)(F)F ZINC000669379442 537979520 /nfs/dbraw/zinc/97/95/20/537979520.db2.gz BQCDXECYJLOELX-VIFPVBQESA-N 1 2 240.269 0.937 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000332760021 346433604 /nfs/dbraw/zinc/43/36/04/346433604.db2.gz JMJLUJNVQHQVCY-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000603412453 349961604 /nfs/dbraw/zinc/96/16/04/349961604.db2.gz OOBLBKSXIVCHQP-ZETCQYMHSA-N 1 2 206.236 0.981 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@H+]1CC(F)F ZINC000603412453 349961606 /nfs/dbraw/zinc/96/16/06/349961606.db2.gz OOBLBKSXIVCHQP-ZETCQYMHSA-N 1 2 206.236 0.981 20 0 BCADLO C[C@H](NCc1c[nH+]c(N)nc1N)C(F)F ZINC000641794239 362734437 /nfs/dbraw/zinc/73/44/37/362734437.db2.gz TUASNBQYCIEAPG-BYPYZUCNSA-N 1 2 217.223 0.045 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@]12CCOC2 ZINC000332903043 346479255 /nfs/dbraw/zinc/47/92/55/346479255.db2.gz PWJLMSAGFZQIFI-KCJUWKMLSA-N 1 2 221.260 0.453 20 0 BCADLO CC[C@@H](C[N@H+](CCOC)CC(=O)OC)OC ZINC000419209592 192103795 /nfs/dbraw/zinc/10/37/95/192103795.db2.gz SZVRHWVENHIHNX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CC[C@@H](C[N@@H+](CCOC)CC(=O)OC)OC ZINC000419209592 192103797 /nfs/dbraw/zinc/10/37/97/192103797.db2.gz SZVRHWVENHIHNX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)C(=O)OC ZINC000419208615 192103800 /nfs/dbraw/zinc/10/38/00/192103800.db2.gz RJBSSUSRUQOTSI-MWLCHTKSSA-N 1 2 233.308 0.315 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088372140 179113765 /nfs/dbraw/zinc/11/37/65/179113765.db2.gz XRMCECDDCZPLCF-LBPRGKRZSA-N 1 2 234.299 0.946 20 0 BCADLO Cn1cnnc1C[N@@H+](CCO)CC1CC1 ZINC000563554321 323130177 /nfs/dbraw/zinc/13/01/77/323130177.db2.gz KGFUOHKYIKEGKN-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO C[NH2+]Cc1noc(CC2(COC)CC2)n1 ZINC000401320568 346587005 /nfs/dbraw/zinc/58/70/05/346587005.db2.gz WRSKNARDBXOTPR-UHFFFAOYSA-N 1 2 211.265 0.758 20 0 BCADLO CSCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000589635605 346720245 /nfs/dbraw/zinc/72/02/45/346720245.db2.gz BCEOXTLQMSWFMA-UHFFFAOYSA-N 1 2 240.332 0.771 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000166767267 346689729 /nfs/dbraw/zinc/68/97/29/346689729.db2.gz JMEADQUQDNPZOT-SSDOTTSWSA-N 1 2 226.305 0.879 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000166767267 346689731 /nfs/dbraw/zinc/68/97/31/346689731.db2.gz JMEADQUQDNPZOT-SSDOTTSWSA-N 1 2 226.305 0.879 20 0 BCADLO COC[C@@]1(C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000626174499 346758840 /nfs/dbraw/zinc/75/88/40/346758840.db2.gz SIRAEWXXHRFPDX-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)C(C)C ZINC000590114053 346773848 /nfs/dbraw/zinc/77/38/48/346773848.db2.gz DOYURSQBJNOQGA-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)C(C)C ZINC000590114053 346773852 /nfs/dbraw/zinc/77/38/52/346773852.db2.gz DOYURSQBJNOQGA-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)C(C)C ZINC000590114051 346773894 /nfs/dbraw/zinc/77/38/94/346773894.db2.gz DOYURSQBJNOQGA-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)C(C)C ZINC000590114051 346773898 /nfs/dbraw/zinc/77/38/98/346773898.db2.gz DOYURSQBJNOQGA-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccon1 ZINC000580657217 365852282 /nfs/dbraw/zinc/85/22/82/365852282.db2.gz LMQXHJLWFCDZOD-LLVKDONJSA-N 1 2 221.260 0.529 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1ccon1 ZINC000580657217 365852286 /nfs/dbraw/zinc/85/22/86/365852286.db2.gz LMQXHJLWFCDZOD-LLVKDONJSA-N 1 2 221.260 0.529 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387842741 347110150 /nfs/dbraw/zinc/11/01/50/347110150.db2.gz GOIKQPIELZRZJH-IUCAKERBSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387842741 347110155 /nfs/dbraw/zinc/11/01/55/347110155.db2.gz GOIKQPIELZRZJH-IUCAKERBSA-N 1 2 210.281 0.111 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000388032783 347159911 /nfs/dbraw/zinc/15/99/11/347159911.db2.gz LFIBSEAKNRWKQC-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000388032783 347159914 /nfs/dbraw/zinc/15/99/14/347159914.db2.gz LFIBSEAKNRWKQC-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO C[C@@H]1CN(CC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246524069 537987511 /nfs/dbraw/zinc/98/75/11/537987511.db2.gz RMDNSJGBMRDWOV-NXEZZACHSA-N 1 2 234.290 0.904 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000388175228 347223601 /nfs/dbraw/zinc/22/36/01/347223601.db2.gz KUGUMJVKPRJVLC-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000388175228 347223603 /nfs/dbraw/zinc/22/36/03/347223603.db2.gz KUGUMJVKPRJVLC-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO COC[C@@](C)(O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000419212353 192104736 /nfs/dbraw/zinc/10/47/36/192104736.db2.gz ZTOZTXXOVLHPFU-PWSUYJOCSA-N 1 2 245.319 0.315 20 0 BCADLO CN(C)c1ccc(NCc2ncnn2C)c[nH+]1 ZINC000395744827 362796579 /nfs/dbraw/zinc/79/65/79/362796579.db2.gz XESRLZCODICZJD-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@@H]([C@H](C)O)C2)[nH+]1 ZINC000628313565 347242679 /nfs/dbraw/zinc/24/26/79/347242679.db2.gz SVKATONCUNVGNX-VHSXEESVSA-N 1 2 225.292 0.300 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc(C)n(C)n1 ZINC000487403634 362811653 /nfs/dbraw/zinc/81/16/53/362811653.db2.gz YUILFMZYWAXECR-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc(C)n(C)n1 ZINC000487403634 362811660 /nfs/dbraw/zinc/81/16/60/362811660.db2.gz YUILFMZYWAXECR-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451190385 323142539 /nfs/dbraw/zinc/14/25/39/323142539.db2.gz QFKNKMFPWCNTMM-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451190385 323142540 /nfs/dbraw/zinc/14/25/40/323142540.db2.gz QFKNKMFPWCNTMM-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CCCCCNC(=O)C[N@H+](CC)CC(N)=O ZINC000191718246 347357934 /nfs/dbraw/zinc/35/79/34/347357934.db2.gz IQEKSNDEEANFFA-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCCCNC(=O)C[N@@H+](CC)CC(N)=O ZINC000191718246 347357937 /nfs/dbraw/zinc/35/79/37/347357937.db2.gz IQEKSNDEEANFFA-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCN1CN(Cc2c[nH+]cn2C)CC1=O ZINC000191837580 347361386 /nfs/dbraw/zinc/36/13/86/347361386.db2.gz FDZHFSNMFAGPEC-UHFFFAOYSA-N 1 2 208.265 0.042 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000616921141 347450357 /nfs/dbraw/zinc/45/03/57/347450357.db2.gz GQINCHBSRCBXHZ-MXWKQRLJSA-N 1 2 235.287 0.936 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000616921141 347450359 /nfs/dbraw/zinc/45/03/59/347450359.db2.gz GQINCHBSRCBXHZ-MXWKQRLJSA-N 1 2 235.287 0.936 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCO1 ZINC000616921770 347451793 /nfs/dbraw/zinc/45/17/93/347451793.db2.gz BQVFWDSJWLJCFW-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCO1 ZINC000616921770 347451797 /nfs/dbraw/zinc/45/17/97/347451797.db2.gz BQVFWDSJWLJCFW-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO CC[C@@](C)(CO)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922308 347452689 /nfs/dbraw/zinc/45/26/89/347452689.db2.gz XFVWCKFHHIKHNU-NSHDSACASA-N 1 2 225.292 0.777 20 0 BCADLO CC[C@@](C)(CO)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922308 347452690 /nfs/dbraw/zinc/45/26/90/347452690.db2.gz XFVWCKFHHIKHNU-NSHDSACASA-N 1 2 225.292 0.777 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cn1cccn1 ZINC000616922583 347453777 /nfs/dbraw/zinc/45/37/77/347453777.db2.gz CCDGEFSIGRVNTO-UHFFFAOYSA-N 1 2 219.248 0.265 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cn1cccn1 ZINC000616922583 347453782 /nfs/dbraw/zinc/45/37/82/347453782.db2.gz CCDGEFSIGRVNTO-UHFFFAOYSA-N 1 2 219.248 0.265 20 0 BCADLO CCc1n[nH]cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923349 347454135 /nfs/dbraw/zinc/45/41/35/347454135.db2.gz DEAIZEXTVOJFJQ-UHFFFAOYSA-N 1 2 233.275 0.967 20 0 BCADLO CCc1n[nH]cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923349 347454140 /nfs/dbraw/zinc/45/41/40/347454140.db2.gz DEAIZEXTVOJFJQ-UHFFFAOYSA-N 1 2 233.275 0.967 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccnn1C ZINC000616924345 347454976 /nfs/dbraw/zinc/45/49/76/347454976.db2.gz FPEDNXSATZKMLP-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccnn1C ZINC000616924345 347454978 /nfs/dbraw/zinc/45/49/78/347454978.db2.gz FPEDNXSATZKMLP-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COc1cccnc1 ZINC000616924609 347455946 /nfs/dbraw/zinc/45/59/46/347455946.db2.gz PNZMBEGARMIFMR-UHFFFAOYSA-N 1 2 246.270 0.842 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COc1cccnc1 ZINC000616924609 347455948 /nfs/dbraw/zinc/45/59/48/347455948.db2.gz PNZMBEGARMIFMR-UHFFFAOYSA-N 1 2 246.270 0.842 20 0 BCADLO Cc1cnn(CC(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616924678 347456311 /nfs/dbraw/zinc/45/63/11/347456311.db2.gz RXCCZZIWCKXTOW-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO Cc1cnn(CC(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616924678 347456315 /nfs/dbraw/zinc/45/63/15/347456315.db2.gz RXCCZZIWCKXTOW-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)c1ccco1 ZINC000493028541 347486449 /nfs/dbraw/zinc/48/64/49/347486449.db2.gz URUFXBSAKGUHKI-HMDXOVGESA-N 1 2 247.254 0.866 20 0 BCADLO CC(C)n1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nn1 ZINC000616928498 347494647 /nfs/dbraw/zinc/49/46/47/347494647.db2.gz BUQLCFLPKWPLBJ-UHFFFAOYSA-N 1 2 248.290 0.854 20 0 BCADLO CC(C)n1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nn1 ZINC000616928498 347494649 /nfs/dbraw/zinc/49/46/49/347494649.db2.gz BUQLCFLPKWPLBJ-UHFFFAOYSA-N 1 2 248.290 0.854 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc2n(n1)CCC2 ZINC000616928542 347495181 /nfs/dbraw/zinc/49/51/81/347495181.db2.gz DVAWFSLTPHSHHY-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc2n(n1)CCC2 ZINC000616928542 347495184 /nfs/dbraw/zinc/49/51/84/347495184.db2.gz DVAWFSLTPHSHHY-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](O)C1CC1 ZINC000616928482 347495301 /nfs/dbraw/zinc/49/53/01/347495301.db2.gz BAPIKKYRLWQSHV-VIFPVBQESA-N 1 2 209.249 0.139 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](O)C1CC1 ZINC000616928482 347495305 /nfs/dbraw/zinc/49/53/05/347495305.db2.gz BAPIKKYRLWQSHV-VIFPVBQESA-N 1 2 209.249 0.139 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@](C)(O)C1CC1 ZINC000616926968 347459952 /nfs/dbraw/zinc/45/99/52/347459952.db2.gz WYGPIEWQWUIAOO-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@](C)(O)C1CC1 ZINC000616926968 347459954 /nfs/dbraw/zinc/45/99/54/347459954.db2.gz WYGPIEWQWUIAOO-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)CCC(C)(C)O ZINC000580687232 365880714 /nfs/dbraw/zinc/88/07/14/365880714.db2.gz HCPJZSRVYJVFJI-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577230097 365892304 /nfs/dbraw/zinc/89/23/04/365892304.db2.gz HIEXYKSGKVXDAN-QWRGUYRKSA-N 1 2 242.363 0.851 20 0 BCADLO Cn1cc[nH+]c1CNc1ncnc2c1ncn2C ZINC000590772637 347538069 /nfs/dbraw/zinc/53/80/69/347538069.db2.gz VCQSFEADIHOQLE-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)O)C(C)(C)C ZINC000591019319 347605745 /nfs/dbraw/zinc/60/57/45/347605745.db2.gz VNJNLJTUFQSCAJ-DTWKUNHWSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@H](C)O ZINC000590953942 347593888 /nfs/dbraw/zinc/59/38/88/347593888.db2.gz QHWWDLRFQNMTIV-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@H](C)O ZINC000590953942 347593891 /nfs/dbraw/zinc/59/38/91/347593891.db2.gz QHWWDLRFQNMTIV-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cocn1 ZINC000591229847 347634754 /nfs/dbraw/zinc/63/47/54/347634754.db2.gz XFPLOCKWWMMYQH-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cocn1 ZINC000591229847 347634755 /nfs/dbraw/zinc/63/47/55/347634755.db2.gz XFPLOCKWWMMYQH-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000591339880 347646455 /nfs/dbraw/zinc/64/64/55/347646455.db2.gz QHHWONYPMZPZNT-WYUUTHIRSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cocn1 ZINC000591426457 347658362 /nfs/dbraw/zinc/65/83/62/347658362.db2.gz FQMJHKJFDVHQRF-UHFFFAOYSA-N 1 2 232.243 0.912 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOCC1CCC1 ZINC000419183108 192108091 /nfs/dbraw/zinc/10/80/91/192108091.db2.gz DHUIUGQYXLARFF-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1CCC1 ZINC000419183108 192108092 /nfs/dbraw/zinc/10/80/92/192108092.db2.gz DHUIUGQYXLARFF-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO Cn1nnnc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869125 347704226 /nfs/dbraw/zinc/70/42/26/347704226.db2.gz LNKRUECORDSBQL-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)CN(c2cccc[nH+]2)C1 ZINC000592001669 347722504 /nfs/dbraw/zinc/72/25/04/347722504.db2.gz BBQQMJWWTHHQQY-NXEZZACHSA-N 1 2 236.271 0.442 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)CN(c2cccc[nH+]2)C1 ZINC000592001672 347722512 /nfs/dbraw/zinc/72/25/12/347722512.db2.gz BBQQMJWWTHHQQY-ZJUUUORDSA-N 1 2 236.271 0.442 20 0 BCADLO CCOC(=O)C[N@H+](C)CCNC(=O)NC(C)C ZINC000592066176 347726013 /nfs/dbraw/zinc/72/60/13/347726013.db2.gz LNZGOGBMIUDKQA-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCNC(=O)NC(C)C ZINC000592066176 347726016 /nfs/dbraw/zinc/72/60/16/347726016.db2.gz LNZGOGBMIUDKQA-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO COC(=O)C12CC(C(=O)NCc3c[nH+]c[nH]3)(C1)C2 ZINC000592766746 347815859 /nfs/dbraw/zinc/81/58/59/347815859.db2.gz AORLUXAARBNNTD-UHFFFAOYSA-N 1 2 249.270 0.369 20 0 BCADLO COC(=O)C12CC(C(=O)NCc3c[nH]c[nH+]3)(C1)C2 ZINC000592766746 347815863 /nfs/dbraw/zinc/81/58/63/347815863.db2.gz AORLUXAARBNNTD-UHFFFAOYSA-N 1 2 249.270 0.369 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000593047949 347843780 /nfs/dbraw/zinc/84/37/80/347843780.db2.gz GNZVZIZCBCJFFB-UHFFFAOYSA-N 1 2 235.234 0.303 20 0 BCADLO NC(=O)NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000593047949 347843782 /nfs/dbraw/zinc/84/37/82/347843782.db2.gz GNZVZIZCBCJFFB-UHFFFAOYSA-N 1 2 235.234 0.303 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593015586 347844377 /nfs/dbraw/zinc/84/43/77/347844377.db2.gz VJQGJIQUDBBGII-ZJUUUORDSA-N 1 2 242.319 0.537 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593015586 347844380 /nfs/dbraw/zinc/84/43/80/347844380.db2.gz VJQGJIQUDBBGII-ZJUUUORDSA-N 1 2 242.319 0.537 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1cnns1 ZINC000577333503 365926362 /nfs/dbraw/zinc/92/63/62/365926362.db2.gz BMTHDGSGKMHWBW-UHFFFAOYSA-N 1 2 209.234 0.373 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679677488 488363837 /nfs/dbraw/zinc/36/38/37/488363837.db2.gz ARSXPAZQMHHTNB-ZCFIWIBFSA-N 1 2 208.208 0.175 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679677488 488363838 /nfs/dbraw/zinc/36/38/38/488363838.db2.gz ARSXPAZQMHHTNB-ZCFIWIBFSA-N 1 2 208.208 0.175 20 0 BCADLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC(N)=O ZINC000593056188 347847436 /nfs/dbraw/zinc/84/74/36/347847436.db2.gz APTQDVKUURYLEO-QMMMGPOBSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC(N)=O ZINC000593056188 347847438 /nfs/dbraw/zinc/84/74/38/347847438.db2.gz APTQDVKUURYLEO-QMMMGPOBSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@H](CC)CO1 ZINC000593057317 347848385 /nfs/dbraw/zinc/84/83/85/347848385.db2.gz FMPWKJFCCZQPGA-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@H](CC)CO1 ZINC000593057317 347848387 /nfs/dbraw/zinc/84/83/87/347848387.db2.gz FMPWKJFCCZQPGA-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO NC(=O)NC(=O)CCC[N@@H+]1CCCC(F)(F)C1 ZINC000593049818 347852399 /nfs/dbraw/zinc/85/23/99/347852399.db2.gz SEWCBLRLCUTHLJ-UHFFFAOYSA-N 1 2 249.261 0.693 20 0 BCADLO NC(=O)NC(=O)CCC[N@H+]1CCCC(F)(F)C1 ZINC000593049818 347852401 /nfs/dbraw/zinc/85/24/01/347852401.db2.gz SEWCBLRLCUTHLJ-UHFFFAOYSA-N 1 2 249.261 0.693 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccncc1F ZINC000593099105 347855879 /nfs/dbraw/zinc/85/58/79/347855879.db2.gz GPSRJVWPBRZMEU-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccncc1F ZINC000593099105 347855881 /nfs/dbraw/zinc/85/58/81/347855881.db2.gz GPSRJVWPBRZMEU-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(F)c1 ZINC000593099358 347856203 /nfs/dbraw/zinc/85/62/03/347856203.db2.gz IOOBVROEYLQBJK-XMZIXOGTSA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(F)c1 ZINC000593099358 347856205 /nfs/dbraw/zinc/85/62/05/347856205.db2.gz IOOBVROEYLQBJK-XMZIXOGTSA-N 1 2 240.303 0.926 20 0 BCADLO CCNC(=O)CN(C)c1cc(CC)[nH+]c(C)n1 ZINC000679837410 488367524 /nfs/dbraw/zinc/36/75/24/488367524.db2.gz NGOJWUSGBAZLPI-UHFFFAOYSA-N 1 2 236.319 0.920 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569788 347898949 /nfs/dbraw/zinc/89/89/49/347898949.db2.gz APKHFPIUQUMNLD-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569788 347898952 /nfs/dbraw/zinc/89/89/52/347898952.db2.gz APKHFPIUQUMNLD-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000628300293 347900650 /nfs/dbraw/zinc/90/06/50/347900650.db2.gz ZBTUVMVYRVWONN-SECBINFHSA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000628300293 347900651 /nfs/dbraw/zinc/90/06/51/347900651.db2.gz ZBTUVMVYRVWONN-SECBINFHSA-N 1 2 223.276 0.741 20 0 BCADLO CCc1cc(N2C[C@@H]3C[C@H]2C[S@@]3=O)nc[nH+]1 ZINC000593510018 347901687 /nfs/dbraw/zinc/90/16/87/347901687.db2.gz JNEOBDXVQUIIGR-PUTJDCORSA-N 1 2 237.328 0.749 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn[nH]c1 ZINC000593689504 347927706 /nfs/dbraw/zinc/92/77/06/347927706.db2.gz VDZRSRYOMVPZSR-FZNYLWTLSA-N 1 2 211.290 0.115 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn[nH]c1 ZINC000593689504 347927707 /nfs/dbraw/zinc/92/77/07/347927707.db2.gz VDZRSRYOMVPZSR-FZNYLWTLSA-N 1 2 211.290 0.115 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000593683403 347932978 /nfs/dbraw/zinc/93/29/78/347932978.db2.gz WKGSZAIMGVAMJX-IUCAKERBSA-N 1 2 231.267 0.751 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000593683403 347932979 /nfs/dbraw/zinc/93/29/79/347932979.db2.gz WKGSZAIMGVAMJX-IUCAKERBSA-N 1 2 231.267 0.751 20 0 BCADLO CC1(C)C[C@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000577388848 365943007 /nfs/dbraw/zinc/94/30/07/365943007.db2.gz OHKMJRCRTKKGHX-ONGXEEELSA-N 1 2 249.314 0.765 20 0 BCADLO CC(C)n1cncc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000333513826 537994798 /nfs/dbraw/zinc/99/47/98/537994798.db2.gz UXKFVORXGGFFNF-VXGBXAGGSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)n1cncc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000333513826 537994792 /nfs/dbraw/zinc/99/47/92/537994792.db2.gz UXKFVORXGGFFNF-VXGBXAGGSA-N 1 2 239.319 0.656 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOCC1CCC1 ZINC000419274469 192110890 /nfs/dbraw/zinc/11/08/90/192110890.db2.gz RIYUPINFSGVKIY-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOCC1CCC1 ZINC000419274469 192110892 /nfs/dbraw/zinc/11/08/92/192110892.db2.gz RIYUPINFSGVKIY-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000594055037 348009764 /nfs/dbraw/zinc/00/97/64/348009764.db2.gz ISAYJCXTJMHFFM-MRVPVSSYSA-N 1 2 231.321 0.534 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000594055037 348009765 /nfs/dbraw/zinc/00/97/65/348009765.db2.gz ISAYJCXTJMHFFM-MRVPVSSYSA-N 1 2 231.321 0.534 20 0 BCADLO CO[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594180862 348021091 /nfs/dbraw/zinc/02/10/91/348021091.db2.gz VYICSZCEAUPFOE-VIFPVBQESA-N 1 2 236.271 0.706 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCCO ZINC000375192470 179347289 /nfs/dbraw/zinc/34/72/89/179347289.db2.gz JSUJAGVVAFIBBO-ZDUSSCGKSA-N 1 2 248.326 0.850 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCCO ZINC000375192470 179347291 /nfs/dbraw/zinc/34/72/91/179347291.db2.gz JSUJAGVVAFIBBO-ZDUSSCGKSA-N 1 2 248.326 0.850 20 0 BCADLO COc1c(C)[nH+]cnc1N1CCS(=O)CC1 ZINC000594548902 348067458 /nfs/dbraw/zinc/06/74/58/348067458.db2.gz WDWAZDCJFLENTJ-UHFFFAOYSA-N 1 2 241.316 0.362 20 0 BCADLO CC(C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000045546691 348041946 /nfs/dbraw/zinc/04/19/46/348041946.db2.gz GINVXKNMQPHRPB-UHFFFAOYSA-N 1 2 229.324 0.274 20 0 BCADLO Cc1cccn2cc(CNC(=O)[C@@H](C)O)[nH+]c12 ZINC000270764783 179356628 /nfs/dbraw/zinc/35/66/28/179356628.db2.gz GINZLUWOPTWJEI-SECBINFHSA-N 1 2 233.271 0.640 20 0 BCADLO Cc1cccn(Cc2c[nH+]cn2C)c1=O ZINC000122210387 179352505 /nfs/dbraw/zinc/35/25/05/179352505.db2.gz FLVAJGIIHSQRDP-UHFFFAOYSA-N 1 2 203.245 0.939 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC(C)(C)C)nn1 ZINC000594649147 348088294 /nfs/dbraw/zinc/08/82/94/348088294.db2.gz IGEWHECBJKHPFQ-VIFPVBQESA-N 1 2 240.307 0.367 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000594927073 348138428 /nfs/dbraw/zinc/13/84/28/348138428.db2.gz UBTYTJABWVAGHX-FXBDTBDDSA-N 1 2 223.276 0.697 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ncc[nH]2)c1 ZINC000616207913 348139564 /nfs/dbraw/zinc/13/95/64/348139564.db2.gz PIMQQXFHKVWYBF-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](COC)OC ZINC000595312488 348223690 /nfs/dbraw/zinc/22/36/90/348223690.db2.gz YHSPXSMNHPKYPP-SECBINFHSA-N 1 2 233.308 0.579 20 0 BCADLO CC1(C)C[C@H]([NH+]2CCS(=O)CC2)CO1 ZINC000595313736 348223829 /nfs/dbraw/zinc/22/38/29/348223829.db2.gz CEFRZIDPJWHNJC-VIFPVBQESA-N 1 2 217.334 0.618 20 0 BCADLO CCc1cnc(C[N@@H+]2CCC[C@H]2C(=O)NC)o1 ZINC000075646598 348202597 /nfs/dbraw/zinc/20/25/97/348202597.db2.gz JEWMZJOJNHLIQY-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO CCc1cnc(C[N@H+]2CCC[C@H]2C(=O)NC)o1 ZINC000075646598 348202600 /nfs/dbraw/zinc/20/26/00/348202600.db2.gz JEWMZJOJNHLIQY-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC000595290675 348213055 /nfs/dbraw/zinc/21/30/55/348213055.db2.gz YNNVDXNKTBHSSJ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](OC)C1CCC1 ZINC000595290675 348213057 /nfs/dbraw/zinc/21/30/57/348213057.db2.gz YNNVDXNKTBHSSJ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCOC1 ZINC000595409440 348240673 /nfs/dbraw/zinc/24/06/73/348240673.db2.gz XJXIXANWXXTLEK-NOHGZBONSA-N 1 2 239.315 0.954 20 0 BCADLO COc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)on1 ZINC000595427144 348247555 /nfs/dbraw/zinc/24/75/55/348247555.db2.gz RHPRYKAIIQYOPU-VPTHRUTESA-N 1 2 246.332 0.882 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)on1 ZINC000595427144 348247557 /nfs/dbraw/zinc/24/75/57/348247557.db2.gz RHPRYKAIIQYOPU-VPTHRUTESA-N 1 2 246.332 0.882 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595429970 348248505 /nfs/dbraw/zinc/24/85/05/348248505.db2.gz QSGXDRWQNYGAAQ-AXFHLTTASA-N 1 2 247.335 0.825 20 0 BCADLO COC[C@@H](C[N@@H+]1CC[S@](=O)CC1(C)C)OC ZINC000595452033 348253343 /nfs/dbraw/zinc/25/33/43/348253343.db2.gz GQXUXZOERQQNJA-HWPZZCPQSA-N 1 2 249.376 0.491 20 0 BCADLO COC[C@@H](C[N@H+]1CC[S@](=O)CC1(C)C)OC ZINC000595452033 348253344 /nfs/dbraw/zinc/25/33/44/348253344.db2.gz GQXUXZOERQQNJA-HWPZZCPQSA-N 1 2 249.376 0.491 20 0 BCADLO COC[C@@H](C[N@@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000595452036 348253409 /nfs/dbraw/zinc/25/34/09/348253409.db2.gz GQXUXZOERQQNJA-QLJPJBMISA-N 1 2 249.376 0.491 20 0 BCADLO COC[C@@H](C[N@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000595452036 348253411 /nfs/dbraw/zinc/25/34/11/348253411.db2.gz GQXUXZOERQQNJA-QLJPJBMISA-N 1 2 249.376 0.491 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CC[S@](=O)C1 ZINC000595459167 348255969 /nfs/dbraw/zinc/25/59/69/348255969.db2.gz ONJUZQICVSYECO-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[NH+]1[C@@H](C)C[C@@H]1C ZINC000595468045 348258593 /nfs/dbraw/zinc/25/85/93/348258593.db2.gz IJPFVAOUYIYZFD-LPEHRKFASA-N 1 2 243.303 0.964 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](COC)OC ZINC000595375292 348232711 /nfs/dbraw/zinc/23/27/11/348232711.db2.gz RJTHSXRUQKNGRN-UWVGGRQHSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](COC)OC ZINC000595375292 348232714 /nfs/dbraw/zinc/23/27/14/348232714.db2.gz RJTHSXRUQKNGRN-UWVGGRQHSA-N 1 2 233.308 0.531 20 0 BCADLO COC[C@H](C[N@H+](C)[C@@H](C)C(=O)OC(C)C)OC ZINC000595348796 348237004 /nfs/dbraw/zinc/23/70/04/348237004.db2.gz UYJXXLWIVGJUJQ-QWRGUYRKSA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)OC ZINC000595348796 348237007 /nfs/dbraw/zinc/23/70/07/348237007.db2.gz UYJXXLWIVGJUJQ-QWRGUYRKSA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000595392767 348237769 /nfs/dbraw/zinc/23/77/69/348237769.db2.gz PECVEEBFVNXDLE-ZJUUUORDSA-N 1 2 247.335 0.825 20 0 BCADLO CC(C)OC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548331 348268410 /nfs/dbraw/zinc/26/84/10/348268410.db2.gz WJRMYZZBVBVJNW-UHFFFAOYSA-N 1 2 243.263 0.549 20 0 BCADLO CC(C)OC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548331 348268413 /nfs/dbraw/zinc/26/84/13/348268413.db2.gz WJRMYZZBVBVJNW-UHFFFAOYSA-N 1 2 243.263 0.549 20 0 BCADLO CCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595526257 348271291 /nfs/dbraw/zinc/27/12/91/348271291.db2.gz IQJKTAYFHNRCKZ-SNVBAGLBSA-N 1 2 203.282 0.690 20 0 BCADLO CCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526256 348271405 /nfs/dbraw/zinc/27/14/05/348271405.db2.gz IQJKTAYFHNRCKZ-JTQLQIEISA-N 1 2 203.282 0.690 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)(C)C ZINC000595528080 348271992 /nfs/dbraw/zinc/27/19/92/348271992.db2.gz UMQWBMJZFXROJJ-NSHDSACASA-N 1 2 217.309 0.936 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC1CC1 ZINC000595527854 348272048 /nfs/dbraw/zinc/27/20/48/348272048.db2.gz SHRQPMUKXINNKA-JTQLQIEISA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCC(C)C ZINC000595530930 348272981 /nfs/dbraw/zinc/27/29/81/348272981.db2.gz BJGUTVOISBADIG-NSHDSACASA-N 1 2 217.309 0.936 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@H]1CCCO1 ZINC000595531136 348273148 /nfs/dbraw/zinc/27/31/48/348273148.db2.gz CRWNGBGFMKDIDO-MWLCHTKSSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)(C)OC ZINC000595530931 348273211 /nfs/dbraw/zinc/27/32/11/348273211.db2.gz BJXVTDPNTYOKDP-LLVKDONJSA-N 1 2 233.308 0.315 20 0 BCADLO CC[C@H]([NH2+]CCc1cnc(C)cn1)C(=O)OC ZINC000419301051 192119914 /nfs/dbraw/zinc/11/99/14/192119914.db2.gz NIFDABZBOUYUDZ-NSHDSACASA-N 1 2 237.303 0.869 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595534941 348275913 /nfs/dbraw/zinc/27/59/13/348275913.db2.gz ZOJGCRZWRGJGLD-WYFGTUCQSA-N 1 2 227.304 0.546 20 0 BCADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)on1 ZINC000595563625 348281741 /nfs/dbraw/zinc/28/17/41/348281741.db2.gz NWONLWJZUZWCTO-VNNFXVPXSA-N 1 2 242.300 0.388 20 0 BCADLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)on1 ZINC000595563625 348281743 /nfs/dbraw/zinc/28/17/43/348281743.db2.gz NWONLWJZUZWCTO-VNNFXVPXSA-N 1 2 242.300 0.388 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595632418 348293631 /nfs/dbraw/zinc/29/36/31/348293631.db2.gz OAMJTJXQFXZAOL-HBNTYKKESA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](COC)C1CCOCC1 ZINC000595615933 348288787 /nfs/dbraw/zinc/28/87/87/348288787.db2.gz NZZLWFMMDXVCSE-NSHDSACASA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)C[N@H+](CC(N)=O)C1CCCCC1 ZINC000595663621 348301002 /nfs/dbraw/zinc/30/10/02/348301002.db2.gz JONVHJBGYFSHDV-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO COC(=O)C[N@@H+](CC(N)=O)C1CCCCC1 ZINC000595663621 348301004 /nfs/dbraw/zinc/30/10/04/348301004.db2.gz JONVHJBGYFSHDV-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO COC(=O)C12CC(C1)CN2Cc1c[nH+]cn1C ZINC000595675816 348310248 /nfs/dbraw/zinc/31/02/48/348310248.db2.gz WHYZRTZGIZYGIB-UHFFFAOYSA-N 1 2 235.287 0.558 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1cnn(C)c1 ZINC000595675019 348310446 /nfs/dbraw/zinc/31/04/46/348310446.db2.gz PSOUCDUMSOIFDM-UHFFFAOYSA-N 1 2 249.314 0.600 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCc1cnn(C)c1 ZINC000595675019 348310449 /nfs/dbraw/zinc/31/04/49/348310449.db2.gz PSOUCDUMSOIFDM-UHFFFAOYSA-N 1 2 249.314 0.600 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCOCC(F)F ZINC000595680786 348311956 /nfs/dbraw/zinc/31/19/56/348311956.db2.gz WALLAFTUGWPQKM-UHFFFAOYSA-N 1 2 249.257 0.906 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCOCC(F)F ZINC000595680786 348311958 /nfs/dbraw/zinc/31/19/58/348311958.db2.gz WALLAFTUGWPQKM-UHFFFAOYSA-N 1 2 249.257 0.906 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCO)CC[C@@H](C)CC1 ZINC000595707764 348319855 /nfs/dbraw/zinc/31/98/55/348319855.db2.gz DGPKUYPZQQAFMM-HOMQSWHASA-N 1 2 215.293 0.690 20 0 BCADLO CCOCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595769080 348335525 /nfs/dbraw/zinc/33/55/25/348335525.db2.gz IGKLDEAKGRPBBB-JTQLQIEISA-N 1 2 221.272 0.904 20 0 BCADLO COCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770546 348335903 /nfs/dbraw/zinc/33/59/03/348335903.db2.gz ABRMGDGZBVZKEV-VIFPVBQESA-N 1 2 207.245 0.514 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCn1cccn1 ZINC000595771152 348336578 /nfs/dbraw/zinc/33/65/78/348336578.db2.gz XAQBKVMMRZIEBI-NSHDSACASA-N 1 2 243.282 0.764 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCc1cn[nH]c1 ZINC000595775258 348338148 /nfs/dbraw/zinc/33/81/48/348338148.db2.gz NPHZPSVICGZHFD-LLVKDONJSA-N 1 2 243.282 0.833 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000595862890 348382578 /nfs/dbraw/zinc/38/25/78/348382578.db2.gz IKBFWHLKERENBI-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000595862890 348382582 /nfs/dbraw/zinc/38/25/82/348382582.db2.gz IKBFWHLKERENBI-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO COC(=O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595850521 348356292 /nfs/dbraw/zinc/35/62/92/348356292.db2.gz GMQKZCXJRRUYMG-OCAPTIKFSA-N 1 2 215.249 0.043 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595850521 348356293 /nfs/dbraw/zinc/35/62/93/348356293.db2.gz GMQKZCXJRRUYMG-OCAPTIKFSA-N 1 2 215.249 0.043 20 0 BCADLO CC[C@@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596052040 348433409 /nfs/dbraw/zinc/43/34/09/348433409.db2.gz ZMRJELRGNNLQKG-JTQLQIEISA-N 1 2 238.287 0.980 20 0 BCADLO COC(=O)C1(COCc2[nH]cc[nH+]2)CC1 ZINC000596281843 348487499 /nfs/dbraw/zinc/48/74/99/348487499.db2.gz XGPDUDSXTGLTIW-UHFFFAOYSA-N 1 2 210.233 0.880 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N(C)C[C@H](C)O)c1 ZINC000596091110 348444407 /nfs/dbraw/zinc/44/44/07/348444407.db2.gz ICRGBPLEODIRGL-VIFPVBQESA-N 1 2 238.287 0.614 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCOC2)c1 ZINC000596172021 348460935 /nfs/dbraw/zinc/46/09/35/348460935.db2.gz HUWKLDBXHPTTTO-SNVBAGLBSA-N 1 2 236.271 0.998 20 0 BCADLO Cc1ccncc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873694 179492729 /nfs/dbraw/zinc/49/27/29/179492729.db2.gz JKFXDHCGDBKRCK-JTQLQIEISA-N 1 2 221.260 0.317 20 0 BCADLO O=C(NCCO)NCCc1cn2ccccc2[nH+]1 ZINC000042873008 348610380 /nfs/dbraw/zinc/61/03/80/348610380.db2.gz DZDSSMSHIQVUTN-UHFFFAOYSA-N 1 2 248.286 0.168 20 0 BCADLO Cc1cnc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000378058861 179573086 /nfs/dbraw/zinc/57/30/86/179573086.db2.gz MVWJIVWPRAGDAP-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)CO1 ZINC000597115101 348662449 /nfs/dbraw/zinc/66/24/49/348662449.db2.gz LWBWDOISQWXDHT-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)o1 ZINC000193609667 179607367 /nfs/dbraw/zinc/60/73/67/179607367.db2.gz JWTWHGYXPRCJIX-XCBNKYQSSA-N 1 2 223.276 0.597 20 0 BCADLO COC(=O)C1(C)CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000597159992 348666445 /nfs/dbraw/zinc/66/64/45/348666445.db2.gz HMGQILIDPITRQW-UHFFFAOYSA-N 1 2 249.314 0.824 20 0 BCADLO O=C([C@@H]1CC=CCC1)N1CC[NH+](CCO)CC1 ZINC000035187884 358454932 /nfs/dbraw/zinc/45/49/32/358454932.db2.gz MXVSXKGPFXCEOJ-GFCCVEGCSA-N 1 2 238.331 0.479 20 0 BCADLO COC1CC(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627375166 348796765 /nfs/dbraw/zinc/79/67/65/348796765.db2.gz NGPSOOCADKUILP-UHFFFAOYSA-N 1 2 235.287 0.719 20 0 BCADLO COC1CC(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627375166 348796769 /nfs/dbraw/zinc/79/67/69/348796769.db2.gz NGPSOOCADKUILP-UHFFFAOYSA-N 1 2 235.287 0.719 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C1(C(N)=O)CC1 ZINC000597730613 348798800 /nfs/dbraw/zinc/79/88/00/348798800.db2.gz HXIMNYDKZIJUAI-UHFFFAOYSA-N 1 2 235.243 0.294 20 0 BCADLO CCCCOCC[N@H+](C)CC(=O)OC ZINC000048446384 348742572 /nfs/dbraw/zinc/74/25/72/348742572.db2.gz BVRIPSYNPSKWHO-UHFFFAOYSA-N 1 2 203.282 0.908 20 0 BCADLO CCCCOCC[N@@H+](C)CC(=O)OC ZINC000048446384 348742574 /nfs/dbraw/zinc/74/25/74/348742574.db2.gz BVRIPSYNPSKWHO-UHFFFAOYSA-N 1 2 203.282 0.908 20 0 BCADLO COC(=O)C[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597862113 348825452 /nfs/dbraw/zinc/82/54/52/348825452.db2.gz GRCDKYIBWAAVOG-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO COC(=O)C[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597862113 348825456 /nfs/dbraw/zinc/82/54/56/348825456.db2.gz GRCDKYIBWAAVOG-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO CC[C@@H](C(=O)OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856161 348827584 /nfs/dbraw/zinc/82/75/84/348827584.db2.gz DWKPSVKPHNDHBQ-SECBINFHSA-N 1 2 239.275 0.567 20 0 BCADLO CC[C@@H](C(=O)OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856161 348827587 /nfs/dbraw/zinc/82/75/87/348827587.db2.gz DWKPSVKPHNDHBQ-SECBINFHSA-N 1 2 239.275 0.567 20 0 BCADLO CC(=O)CSCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856412 348827739 /nfs/dbraw/zinc/82/77/39/348827739.db2.gz GOGNVEZMYWHWNH-UHFFFAOYSA-N 1 2 241.316 0.690 20 0 BCADLO CC(=O)CSCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856412 348827741 /nfs/dbraw/zinc/82/77/41/348827741.db2.gz GOGNVEZMYWHWNH-UHFFFAOYSA-N 1 2 241.316 0.690 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)NC(C)C)C(C)C ZINC000054048121 348833078 /nfs/dbraw/zinc/83/30/78/348833078.db2.gz GJDAWJFRKSQWBA-NSHDSACASA-N 1 2 244.335 0.688 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)NC(C)C)C(C)C ZINC000054048122 348833294 /nfs/dbraw/zinc/83/32/94/348833294.db2.gz GJDAWJFRKSQWBA-LLVKDONJSA-N 1 2 244.335 0.688 20 0 BCADLO COC(=O)CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598458967 348976744 /nfs/dbraw/zinc/97/67/44/348976744.db2.gz ARIUZUOYGMJSBL-QMMMGPOBSA-N 1 2 239.275 0.551 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000598679228 349021067 /nfs/dbraw/zinc/02/10/67/349021067.db2.gz QXRWEHRTKPGIKJ-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC000598679228 349021071 /nfs/dbraw/zinc/02/10/71/349021071.db2.gz QXRWEHRTKPGIKJ-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000598712139 349025156 /nfs/dbraw/zinc/02/51/56/349025156.db2.gz QDFBXOLSFJMYIF-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000598712139 349025158 /nfs/dbraw/zinc/02/51/58/349025158.db2.gz QDFBXOLSFJMYIF-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000598984552 349071248 /nfs/dbraw/zinc/07/12/48/349071248.db2.gz OUXGEQFFONTAOQ-BWVDBABLSA-N 1 2 224.264 0.092 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000598984552 349071252 /nfs/dbraw/zinc/07/12/52/349071252.db2.gz OUXGEQFFONTAOQ-BWVDBABLSA-N 1 2 224.264 0.092 20 0 BCADLO Cc1c[nH]c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)n1 ZINC000628302013 349083578 /nfs/dbraw/zinc/08/35/78/349083578.db2.gz NKXSIIIEUOUPRG-QWRGUYRKSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]c(C[N@H+](CCO)[C@H]2CCO[C@H]2C)n1 ZINC000628302013 349083583 /nfs/dbraw/zinc/08/35/83/349083583.db2.gz NKXSIIIEUOUPRG-QWRGUYRKSA-N 1 2 239.319 0.690 20 0 BCADLO CS[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944772 349063046 /nfs/dbraw/zinc/06/30/46/349063046.db2.gz VIDNRHBTPARSBK-HTQZYQBOSA-N 1 2 225.317 0.676 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)COCC1CC1 ZINC000599255231 349131566 /nfs/dbraw/zinc/13/15/66/349131566.db2.gz JILKVWYDKBUMGG-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446999 349131907 /nfs/dbraw/zinc/13/19/07/349131907.db2.gz CXYOEKWEYBEVOK-RFAUZJTJSA-N 1 2 234.365 0.211 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446999 349131908 /nfs/dbraw/zinc/13/19/08/349131908.db2.gz CXYOEKWEYBEVOK-RFAUZJTJSA-N 1 2 234.365 0.211 20 0 BCADLO COC(=O)CCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000599440570 349178893 /nfs/dbraw/zinc/17/88/93/349178893.db2.gz WCNRXQJGJXJDMO-UHFFFAOYSA-N 1 2 243.263 0.550 20 0 BCADLO COC(=O)CCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000599440570 349178896 /nfs/dbraw/zinc/17/88/96/349178896.db2.gz WCNRXQJGJXJDMO-UHFFFAOYSA-N 1 2 243.263 0.550 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(=O)[nH]cn1 ZINC000623518368 362941138 /nfs/dbraw/zinc/94/11/38/362941138.db2.gz QBUQVBMCJNZPFU-UHFFFAOYSA-N 1 2 247.258 0.188 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000599565906 349219911 /nfs/dbraw/zinc/21/99/11/349219911.db2.gz XXSBWNRKIGLXED-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000599565906 349219914 /nfs/dbraw/zinc/21/99/14/349219914.db2.gz XXSBWNRKIGLXED-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000599565906 349219917 /nfs/dbraw/zinc/21/99/17/349219917.db2.gz XXSBWNRKIGLXED-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000599565906 349219920 /nfs/dbraw/zinc/21/99/20/349219920.db2.gz XXSBWNRKIGLXED-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625219 349230470 /nfs/dbraw/zinc/23/04/70/349230470.db2.gz LIWWOUKHLIJNHD-MBGOZMDMSA-N 1 2 215.293 0.949 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625022 349230578 /nfs/dbraw/zinc/23/05/78/349230578.db2.gz KYQWGCTXQXJGRY-VEVYYDQMSA-N 1 2 201.266 0.561 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625218 349230881 /nfs/dbraw/zinc/23/08/81/349230881.db2.gz LIWWOUKHLIJNHD-KGDYZURWSA-N 1 2 215.293 0.949 20 0 BCADLO Cc1cc(N(C)CC(=O)N2CCCC2)nc[nH+]1 ZINC000599448603 349196001 /nfs/dbraw/zinc/19/60/01/349196001.db2.gz NYTUSAWNNBNZCE-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000599705515 349249476 /nfs/dbraw/zinc/24/94/76/349249476.db2.gz WUCLXDUOZKKGPT-JTQLQIEISA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000599705515 349249477 /nfs/dbraw/zinc/24/94/77/349249477.db2.gz WUCLXDUOZKKGPT-JTQLQIEISA-N 1 2 228.292 0.150 20 0 BCADLO CC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000599783493 349259731 /nfs/dbraw/zinc/25/97/31/349259731.db2.gz LJTFHVOWBXLLAV-UHFFFAOYSA-N 1 2 234.303 0.890 20 0 BCADLO Cc1nc(C(=O)N2CC[NH+](C3CC3)CC2)n(C)n1 ZINC000329937727 179877546 /nfs/dbraw/zinc/87/75/46/179877546.db2.gz DSJHCMCVQGFBRH-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000082945240 349344258 /nfs/dbraw/zinc/34/42/58/349344258.db2.gz IYNHIQBWJGNQDC-IEBDPFPHSA-N 1 2 227.304 0.953 20 0 BCADLO C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000616583048 349305814 /nfs/dbraw/zinc/30/58/14/349305814.db2.gz UTRJAAVMDLBFAO-UHFFFAOYSA-N 1 2 226.301 0.322 20 0 BCADLO C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000616583048 349305819 /nfs/dbraw/zinc/30/58/19/349305819.db2.gz UTRJAAVMDLBFAO-UHFFFAOYSA-N 1 2 226.301 0.322 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969096 349405994 /nfs/dbraw/zinc/40/59/94/349405994.db2.gz ISFHLMCZXZKOKX-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969096 349405999 /nfs/dbraw/zinc/40/59/99/349405999.db2.gz ISFHLMCZXZKOKX-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO C[N@H+](CCn1cc[nH+]c1)C(C)(C)C(=O)[O-] ZINC000061173193 349365301 /nfs/dbraw/zinc/36/53/01/349365301.db2.gz KDTDWUVECSZIGM-UHFFFAOYSA-N 1 2 211.265 0.678 20 0 BCADLO C[N@@H+](CCn1cc[nH+]c1)C(C)(C)C(=O)[O-] ZINC000061173193 349365303 /nfs/dbraw/zinc/36/53/03/349365303.db2.gz KDTDWUVECSZIGM-UHFFFAOYSA-N 1 2 211.265 0.678 20 0 BCADLO CCCCN(CC)C(=O)C[N@H+](C)CC(=O)NC ZINC000057642000 349422822 /nfs/dbraw/zinc/42/28/22/349422822.db2.gz WDHVYEDPJODXIQ-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCCN(CC)C(=O)C[N@@H+](C)CC(=O)NC ZINC000057642000 349422827 /nfs/dbraw/zinc/42/28/27/349422827.db2.gz WDHVYEDPJODXIQ-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000342587703 538049418 /nfs/dbraw/zinc/04/94/18/538049418.db2.gz JWESQGGUOBPBEU-SDDRHHMPSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000342587703 538049426 /nfs/dbraw/zinc/04/94/26/538049426.db2.gz JWESQGGUOBPBEU-SDDRHHMPSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(NCCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636877534 350040676 /nfs/dbraw/zinc/04/06/76/350040676.db2.gz OGASGIKYNQAOBY-JTQLQIEISA-N 1 2 234.303 0.907 20 0 BCADLO O=C(NCCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636877535 350040988 /nfs/dbraw/zinc/04/09/88/350040988.db2.gz OGASGIKYNQAOBY-SNVBAGLBSA-N 1 2 234.303 0.907 20 0 BCADLO COC(=O)CC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000603847811 350043853 /nfs/dbraw/zinc/04/38/53/350043853.db2.gz XCYRCUFOAYUIAT-UHFFFAOYSA-N 1 2 235.287 0.706 20 0 BCADLO COC(=O)CC[N@H+]1CCc2nc(C)ncc2C1 ZINC000603847811 350043855 /nfs/dbraw/zinc/04/38/55/350043855.db2.gz XCYRCUFOAYUIAT-UHFFFAOYSA-N 1 2 235.287 0.706 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000603859215 350046008 /nfs/dbraw/zinc/04/60/08/350046008.db2.gz UGXFUKFFOSOXFL-CBAPKCEASA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000603859215 350046011 /nfs/dbraw/zinc/04/60/11/350046011.db2.gz UGXFUKFFOSOXFL-CBAPKCEASA-N 1 2 239.275 0.934 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ncccc1O ZINC000128417927 191008471 /nfs/dbraw/zinc/00/84/71/191008471.db2.gz MDUSBDPBKBUIDM-QMMMGPOBSA-N 1 2 221.260 0.820 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ncccc1O ZINC000128417927 191008474 /nfs/dbraw/zinc/00/84/74/191008474.db2.gz MDUSBDPBKBUIDM-QMMMGPOBSA-N 1 2 221.260 0.820 20 0 BCADLO COCC(=O)NCc1c[nH+]c(C)cc1C ZINC000397020742 350051501 /nfs/dbraw/zinc/05/15/01/350051501.db2.gz BXVNKOAYJMAQTQ-UHFFFAOYSA-N 1 2 208.261 0.961 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C[C@H]2CO)[nH+]1 ZINC000354883936 180003251 /nfs/dbraw/zinc/00/32/51/180003251.db2.gz KOSFOUBSIISUEZ-IUCAKERBSA-N 1 2 248.286 0.198 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC000103257886 180007551 /nfs/dbraw/zinc/00/75/51/180007551.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1nc(NC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC000103257886 180007552 /nfs/dbraw/zinc/00/75/52/180007552.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC000103257886 180007555 /nfs/dbraw/zinc/00/75/55/180007555.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1nnc(NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC000103257886 180007558 /nfs/dbraw/zinc/00/75/58/180007558.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1n[nH]c(NC(=O)C[N@@H+](C)C(C)C)n1 ZINC000103257886 180007560 /nfs/dbraw/zinc/00/75/60/180007560.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1n[nH]c(NC(=O)C[N@H+](C)C(C)C)n1 ZINC000103257886 180007563 /nfs/dbraw/zinc/00/75/63/180007563.db2.gz MERCZDSZTBTFPJ-UHFFFAOYSA-N 1 2 211.269 0.392 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CCOC[C@H]1C ZINC000302442497 350090585 /nfs/dbraw/zinc/09/05/85/350090585.db2.gz UEGZSNJRMQCEOP-HTQZYQBOSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CCOC[C@H]1C ZINC000302442497 350090587 /nfs/dbraw/zinc/09/05/87/350090587.db2.gz UEGZSNJRMQCEOP-HTQZYQBOSA-N 1 2 238.291 0.904 20 0 BCADLO Cc1nc(NC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC000110711077 180012273 /nfs/dbraw/zinc/01/22/73/180012273.db2.gz AXOXUCFTDFDRQM-QMMMGPOBSA-N 1 2 225.296 0.638 20 0 BCADLO Cc1n[nH]c(NC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC000110711077 180012275 /nfs/dbraw/zinc/01/22/75/180012275.db2.gz AXOXUCFTDFDRQM-QMMMGPOBSA-N 1 2 225.296 0.638 20 0 BCADLO Cc1nnc([C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259809 180055956 /nfs/dbraw/zinc/05/59/56/180055956.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nnc([C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259809 180055960 /nfs/dbraw/zinc/05/59/60/180055960.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC000269259809 180055966 /nfs/dbraw/zinc/05/59/66/180055966.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC000269259809 180055968 /nfs/dbraw/zinc/05/59/68/180055968.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n[nH]1 ZINC000269259809 180055971 /nfs/dbraw/zinc/05/59/71/180055971.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n[nH]1 ZINC000269259809 180055973 /nfs/dbraw/zinc/05/59/73/180055973.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@](C)([NH2+]CCO)C2CC2)no1 ZINC000336650748 180056585 /nfs/dbraw/zinc/05/65/85/180056585.db2.gz PBZOJBBHEADBBG-SNVBAGLBSA-N 1 2 211.265 0.585 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1CCC(=O)N1)C1CC1 ZINC000219365319 350124431 /nfs/dbraw/zinc/12/44/31/350124431.db2.gz PKKGZYVFNZBSDO-VIFPVBQESA-N 1 2 240.303 0.293 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1CCC(=O)N1)C1CC1 ZINC000219365319 350124435 /nfs/dbraw/zinc/12/44/35/350124435.db2.gz PKKGZYVFNZBSDO-VIFPVBQESA-N 1 2 240.303 0.293 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C ZINC000132219224 191027648 /nfs/dbraw/zinc/02/76/48/191027648.db2.gz UQVSOCZAMYVXHI-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO Cc1nc(N2CC(O)C2)c2c([nH+]1)CCCC2 ZINC000267958156 180069022 /nfs/dbraw/zinc/06/90/22/180069022.db2.gz LADVGZUYLIJSRZ-UHFFFAOYSA-N 1 2 219.288 0.845 20 0 BCADLO CSCCNC(=O)CCn1cc[nH+]c1 ZINC000604574325 350155149 /nfs/dbraw/zinc/15/51/49/350155149.db2.gz NACMKWOVWQEXFJ-UHFFFAOYSA-N 1 2 213.306 0.752 20 0 BCADLO Cc1[nH+]c2n(c1C)CCN(C(=O)C1CC(=O)C1)C2 ZINC000371540701 180108798 /nfs/dbraw/zinc/10/87/98/180108798.db2.gz ZPARSTWTMLLMDA-UHFFFAOYSA-N 1 2 247.298 0.821 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1c[nH+]cn1C)C2 ZINC000328623005 180112467 /nfs/dbraw/zinc/11/24/67/180112467.db2.gz YNICICASHLBMTL-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1[nH+]ccn1C)C2 ZINC000328603732 180113288 /nfs/dbraw/zinc/11/32/88/180113288.db2.gz IBELTCANEHAMAS-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)O ZINC000041288039 180104426 /nfs/dbraw/zinc/10/44/26/180104426.db2.gz BIJPVGABAZSDMG-SECBINFHSA-N 1 2 247.298 0.842 20 0 BCADLO Cc1[nH]c(C(=O)NCCOC(F)(F)F)c[nH+]1 ZINC000356804985 180130016 /nfs/dbraw/zinc/13/00/16/180130016.db2.gz KFWKYTIPOQSDTC-UHFFFAOYSA-N 1 2 237.181 0.984 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000339022717 180143234 /nfs/dbraw/zinc/14/32/34/180143234.db2.gz TXKCKNJGFHJWNW-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](C)Cn2cccn2)c[nH+]1 ZINC000339227343 180131069 /nfs/dbraw/zinc/13/10/69/180131069.db2.gz UXRDGSOSGJGPPP-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](OCCO)C2)[nH]1 ZINC000428251342 191053622 /nfs/dbraw/zinc/05/36/22/191053622.db2.gz ZDTLHEKPXYHJCV-JTQLQIEISA-N 1 2 240.307 0.086 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](OCCO)C2)[nH]1 ZINC000428251342 191053625 /nfs/dbraw/zinc/05/36/25/191053625.db2.gz ZDTLHEKPXYHJCV-JTQLQIEISA-N 1 2 240.307 0.086 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000338404685 180137424 /nfs/dbraw/zinc/13/74/24/180137424.db2.gz IJDSWFRUVDATAX-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000338404685 180137428 /nfs/dbraw/zinc/13/74/28/180137428.db2.gz IJDSWFRUVDATAX-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cn1 ZINC000331774747 180142640 /nfs/dbraw/zinc/14/26/40/180142640.db2.gz BRKYAZJTBGIYKP-VXGBXAGGSA-N 1 2 246.314 0.495 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cn1 ZINC000331774747 180142642 /nfs/dbraw/zinc/14/26/42/180142642.db2.gz BRKYAZJTBGIYKP-VXGBXAGGSA-N 1 2 246.314 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cnn(C)c1C ZINC000341751548 180120716 /nfs/dbraw/zinc/12/07/16/180120716.db2.gz RWYOPSYASRRNBL-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnnc1 ZINC000339693990 180121148 /nfs/dbraw/zinc/12/11/48/180121148.db2.gz METHKZVDKHZPES-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000339022717 180143232 /nfs/dbraw/zinc/14/32/32/180143232.db2.gz TXKCKNJGFHJWNW-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1ncc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000360817876 180167952 /nfs/dbraw/zinc/16/79/52/180167952.db2.gz NNQCGJCINXZFFL-QMMMGPOBSA-N 1 2 242.229 0.721 20 0 BCADLO Cc1ncc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000261551093 180169698 /nfs/dbraw/zinc/16/96/98/180169698.db2.gz QCFFNBIHQXRYEP-MRVPVSSYSA-N 1 2 224.289 0.386 20 0 BCADLO Cc1ncc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000352404669 180145013 /nfs/dbraw/zinc/14/50/13/180145013.db2.gz DBJXBFKUPPNJQA-UHFFFAOYSA-N 1 2 230.275 0.461 20 0 BCADLO Cc1ncc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000352404669 180145014 /nfs/dbraw/zinc/14/50/14/180145014.db2.gz DBJXBFKUPPNJQA-UHFFFAOYSA-N 1 2 230.275 0.461 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338627441 180146190 /nfs/dbraw/zinc/14/61/90/180146190.db2.gz WQSGHKOJNATKDY-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338627441 180146192 /nfs/dbraw/zinc/14/61/92/180146192.db2.gz WQSGHKOJNATKDY-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO CC(=O)CC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000121641455 191072509 /nfs/dbraw/zinc/07/25/09/191072509.db2.gz VQGWQERPMPISKH-UHFFFAOYSA-N 1 2 239.275 0.832 20 0 BCADLO CC(=O)CC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000121641455 191072512 /nfs/dbraw/zinc/07/25/12/191072512.db2.gz VQGWQERPMPISKH-UHFFFAOYSA-N 1 2 239.275 0.832 20 0 BCADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000345810745 133795200 /nfs/dbraw/zinc/79/52/00/133795200.db2.gz QDSZRTGPNGZZOA-HRDYMLBCSA-N 1 2 246.257 0.373 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000428292772 191076888 /nfs/dbraw/zinc/07/68/88/191076888.db2.gz CSRQDQXKIPRRPH-CMPLNLGQSA-N 1 2 247.335 0.705 20 0 BCADLO Cc1nc(N2CC[C@@H](CO)[C@H]2C)cc[nH+]1 ZINC000362669681 180195072 /nfs/dbraw/zinc/19/50/72/180195072.db2.gz UULLPYYMAQETKB-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@@](F)(CO)C2)cc[nH+]1 ZINC000338419068 180195177 /nfs/dbraw/zinc/19/51/77/180195177.db2.gz IMWNFGPBAHTLFZ-JTQLQIEISA-N 1 2 211.240 0.696 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@H]2CO)cc[nH+]1 ZINC000276042437 180195496 /nfs/dbraw/zinc/19/54/96/180195496.db2.gz NPYZVSUQQRJINY-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(NCCCN2C(=O)CNC2=O)cc[nH+]1 ZINC000266411039 180197685 /nfs/dbraw/zinc/19/76/85/180197685.db2.gz QOUKQVGJAONTHU-UHFFFAOYSA-N 1 2 249.274 0.139 20 0 BCADLO Cc1nccc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000266084781 180201564 /nfs/dbraw/zinc/20/15/64/180201564.db2.gz BXVUCVHTCPRDQJ-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(NC[C@]2(O)CCO[C@@H]2C)cc[nH+]1 ZINC000228007360 180201724 /nfs/dbraw/zinc/20/17/24/180201724.db2.gz FWDWLVSVQBOXKU-LDYMZIIASA-N 1 2 223.276 0.737 20 0 BCADLO CCCC(=O)NCC[NH+]1CCOCC1 ZINC000023379457 350208643 /nfs/dbraw/zinc/20/86/43/350208643.db2.gz DENKEFCOKVMHQJ-UHFFFAOYSA-N 1 2 200.282 0.235 20 0 BCADLO Cc1nc(N[C@@H](C)C(=O)N(C)C)cc[nH+]1 ZINC000054936169 180202879 /nfs/dbraw/zinc/20/28/79/180202879.db2.gz GMJHHLFKQJSPSV-ZETCQYMHSA-N 1 2 208.265 0.674 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](O)C1CCC1 ZINC000316112251 350209268 /nfs/dbraw/zinc/20/92/68/350209268.db2.gz FHLMHCJSGINEKZ-QMMMGPOBSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](O)C1CCC1 ZINC000316112251 350209271 /nfs/dbraw/zinc/20/92/71/350209271.db2.gz FHLMHCJSGINEKZ-QMMMGPOBSA-N 1 2 238.291 0.640 20 0 BCADLO Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000175057793 180203093 /nfs/dbraw/zinc/20/30/93/180203093.db2.gz JDPOFGRVLRVEPE-SECBINFHSA-N 1 2 232.287 0.960 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](O)C1CCC1 ZINC000316112250 350209589 /nfs/dbraw/zinc/20/95/89/350209589.db2.gz FHLMHCJSGINEKZ-MRVPVSSYSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](O)C1CCC1 ZINC000316112250 350209593 /nfs/dbraw/zinc/20/95/93/350209593.db2.gz FHLMHCJSGINEKZ-MRVPVSSYSA-N 1 2 238.291 0.640 20 0 BCADLO Cc1nc(N[C@@H]2CCc3ncnn3C2)cc[nH+]1 ZINC000266432936 180204625 /nfs/dbraw/zinc/20/46/25/180204625.db2.gz UOGDBRCPNGBGEN-SECBINFHSA-N 1 2 230.275 0.803 20 0 BCADLO Cc1nc(N[C@H]2CCc3nnnn3CC2)cc[nH+]1 ZINC000333871430 180206865 /nfs/dbraw/zinc/20/68/65/180206865.db2.gz SAAOYZUXSUZBOI-VIFPVBQESA-N 1 2 245.290 0.589 20 0 BCADLO Cc1nc(N[C@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000054935703 180207629 /nfs/dbraw/zinc/20/76/29/180207629.db2.gz KFWDOBMAZZITBL-QMMMGPOBSA-N 1 2 227.289 0.384 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637131069 350212909 /nfs/dbraw/zinc/21/29/09/350212909.db2.gz TXAJJEPJEHXHEW-KHQFGBGNSA-N 1 2 220.276 0.515 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000377085659 180184806 /nfs/dbraw/zinc/18/48/06/180184806.db2.gz BWVLWTYZGSPRLK-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000377085659 180184807 /nfs/dbraw/zinc/18/48/07/180184807.db2.gz BWVLWTYZGSPRLK-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)n1 ZINC000366490265 180185621 /nfs/dbraw/zinc/18/56/21/180185621.db2.gz QQBAUWLXTLJTET-CMPLNLGQSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)n1 ZINC000366490265 180185623 /nfs/dbraw/zinc/18/56/23/180185623.db2.gz QQBAUWLXTLJTET-CMPLNLGQSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)n1 ZINC000353132872 180186351 /nfs/dbraw/zinc/18/63/51/180186351.db2.gz DDMCMIWRIREWJM-BXKDBHETSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)n1 ZINC000353132872 180186354 /nfs/dbraw/zinc/18/63/54/180186354.db2.gz DDMCMIWRIREWJM-BXKDBHETSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000336692514 180221454 /nfs/dbraw/zinc/22/14/54/180221454.db2.gz HWBBWKCRLYPOAR-ZWNOBZJWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000336692514 180221456 /nfs/dbraw/zinc/22/14/56/180221456.db2.gz HWBBWKCRLYPOAR-ZWNOBZJWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCn2cnnc2C1 ZINC000121888370 180221662 /nfs/dbraw/zinc/22/16/62/180221662.db2.gz RMQWNLOHZKWDQI-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncccc1C[N@H+]1CCn2cnnc2C1 ZINC000121888370 180221663 /nfs/dbraw/zinc/22/16/63/180221663.db2.gz RMQWNLOHZKWDQI-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COc1ccc(C[N@H+](C)CC(N)=O)cc1F ZINC000007583191 350243387 /nfs/dbraw/zinc/24/33/87/350243387.db2.gz SLJCJGIKBOAFRK-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(N)=O)cc1F ZINC000007583191 350243389 /nfs/dbraw/zinc/24/33/89/350243389.db2.gz SLJCJGIKBOAFRK-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO Cc1[nH+]ccn1CCNC(=O)C(F)(F)F ZINC000263701532 180254566 /nfs/dbraw/zinc/25/45/66/180254566.db2.gz OOMKOOGYWIXKAS-UHFFFAOYSA-N 1 2 221.182 0.870 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)CC[S@@](=O)C1 ZINC000617880709 350247924 /nfs/dbraw/zinc/24/79/24/350247924.db2.gz VRZGAXRKQJUETC-RFAUZJTJSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CC[S@@](=O)C1 ZINC000617880709 350247927 /nfs/dbraw/zinc/24/79/27/350247927.db2.gz VRZGAXRKQJUETC-RFAUZJTJSA-N 1 2 227.333 0.610 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)O)C1 ZINC000427683590 191087385 /nfs/dbraw/zinc/08/73/85/191087385.db2.gz WTYDWTSOVRWKGO-SECBINFHSA-N 1 2 237.303 0.507 20 0 BCADLO CC[C@@](C)(C[NH2+][C@@H](C)C(=O)OC)OC ZINC000319190531 350262957 /nfs/dbraw/zinc/26/29/57/350262957.db2.gz OLXPMKNQEGKZLB-WPRPVWTQSA-N 1 2 203.282 0.953 20 0 BCADLO CC[C@](C)(C[NH2+][C@H](C)C(=O)OC)OC ZINC000319190528 350262983 /nfs/dbraw/zinc/26/29/83/350262983.db2.gz OLXPMKNQEGKZLB-PSASIEDQSA-N 1 2 203.282 0.953 20 0 BCADLO Cc1nccnc1NCC[NH+]1CCOCC1 ZINC000214551772 180277972 /nfs/dbraw/zinc/27/79/72/180277972.db2.gz WYMCBOJNXDWCCM-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO Cc1nccnc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000214482178 180278443 /nfs/dbraw/zinc/27/84/43/180278443.db2.gz LXFQIDYJRFTQAT-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1nccnc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000214482178 180278445 /nfs/dbraw/zinc/27/84/45/180278445.db2.gz LXFQIDYJRFTQAT-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1nccnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000214349816 180278874 /nfs/dbraw/zinc/27/88/74/180278874.db2.gz XTVOZYBXOJPLMZ-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nccnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000214349816 180278876 /nfs/dbraw/zinc/27/88/76/180278876.db2.gz XTVOZYBXOJPLMZ-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1ccccc1=O ZINC000606444346 350335655 /nfs/dbraw/zinc/33/56/55/350335655.db2.gz NNPXUPKQPBIDPR-NSHDSACASA-N 1 2 249.314 0.059 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1ccccc1=O ZINC000606444346 350335657 /nfs/dbraw/zinc/33/56/57/350335657.db2.gz NNPXUPKQPBIDPR-NSHDSACASA-N 1 2 249.314 0.059 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000066565857 180312300 /nfs/dbraw/zinc/31/23/00/180312300.db2.gz LKMTULJKXBCOPL-ZETCQYMHSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000066565857 180312301 /nfs/dbraw/zinc/31/23/01/180312301.db2.gz LKMTULJKXBCOPL-ZETCQYMHSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735736 180316692 /nfs/dbraw/zinc/31/66/92/180316692.db2.gz LPBFNPPQZIUZEJ-MRVPVSSYSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1ncsc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735736 180316695 /nfs/dbraw/zinc/31/66/95/180316695.db2.gz LPBFNPPQZIUZEJ-MRVPVSSYSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1ncsc1C[N@H+](C)CC(=O)NC(N)=O ZINC000066565854 180313306 /nfs/dbraw/zinc/31/33/06/180313306.db2.gz OMXNOSPOHTXTEK-UHFFFAOYSA-N 1 2 242.304 0.078 20 0 BCADLO Cc1ncsc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000066565854 180313310 /nfs/dbraw/zinc/31/33/10/180313310.db2.gz OMXNOSPOHTXTEK-UHFFFAOYSA-N 1 2 242.304 0.078 20 0 BCADLO Cc1ncsc1C[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271648260 180313324 /nfs/dbraw/zinc/31/33/24/180313324.db2.gz UJOOBOCDCVQBDC-UHFFFAOYSA-N 1 2 239.304 0.495 20 0 BCADLO Cc1ncsc1C[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271648260 180313327 /nfs/dbraw/zinc/31/33/27/180313327.db2.gz UJOOBOCDCVQBDC-UHFFFAOYSA-N 1 2 239.304 0.495 20 0 BCADLO COCC[N@H+](Cc1cc[nH]n1)[C@@H]1CCOC1 ZINC000426521576 191095859 /nfs/dbraw/zinc/09/58/59/191095859.db2.gz HQYYGRJWKKFBMR-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[N@@H+](Cc1cc[nH]n1)[C@@H]1CCOC1 ZINC000426521576 191095861 /nfs/dbraw/zinc/09/58/61/191095861.db2.gz HQYYGRJWKKFBMR-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[C@H](O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584067 350374094 /nfs/dbraw/zinc/37/40/94/350374094.db2.gz ZENCRPFEBXOLTK-QMMMGPOBSA-N 1 2 234.259 0.837 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000267617325 180338983 /nfs/dbraw/zinc/33/89/83/180338983.db2.gz LVUSPVGRKPQMDG-LLVKDONJSA-N 1 2 239.319 0.230 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](CO)C1 ZINC000267617325 180338985 /nfs/dbraw/zinc/33/89/85/180338985.db2.gz LVUSPVGRKPQMDG-LLVKDONJSA-N 1 2 239.319 0.230 20 0 BCADLO Cc1cc(CC(=O)NCCCn2cc[nH+]c2)n[nH]1 ZINC000132999201 191104255 /nfs/dbraw/zinc/10/42/55/191104255.db2.gz UGZUMDAMLHUUEG-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO Cc1cc(CC(=O)NCCCn2cc[nH+]c2)[nH]n1 ZINC000132999201 191104256 /nfs/dbraw/zinc/10/42/56/191104256.db2.gz UGZUMDAMLHUUEG-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[C@@H]1O ZINC000309439316 350459169 /nfs/dbraw/zinc/45/91/69/350459169.db2.gz ZCZYIGCWZOZGPB-ZJUUUORDSA-N 1 2 223.276 0.160 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264860779 180370409 /nfs/dbraw/zinc/37/04/09/180370409.db2.gz FLTIKHBKVNPGMK-VIFPVBQESA-N 1 2 247.302 0.744 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1[nH+]ccn1C ZINC000264912057 180370600 /nfs/dbraw/zinc/37/06/00/180370600.db2.gz RMMRJQWBYIALRB-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000355199890 180372337 /nfs/dbraw/zinc/37/23/37/180372337.db2.gz RBSVYOBVOXLYKR-SNVBAGLBSA-N 1 2 222.292 0.049 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000355199890 180372340 /nfs/dbraw/zinc/37/23/40/180372340.db2.gz RBSVYOBVOXLYKR-SNVBAGLBSA-N 1 2 222.292 0.049 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1nccn1C ZINC000070007679 350489418 /nfs/dbraw/zinc/48/94/18/350489418.db2.gz HDTDDSUEBDHADB-VIFPVBQESA-N 1 2 224.308 0.597 20 0 BCADLO C[C@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000577502992 365971573 /nfs/dbraw/zinc/97/15/73/365971573.db2.gz IKUHXTHKGZSIMQ-JTQLQIEISA-N 1 2 232.287 0.738 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)[nH]1 ZINC000577489317 365966652 /nfs/dbraw/zinc/96/66/52/365966652.db2.gz PYECQNYBCGGZBQ-SNVBAGLBSA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](c3cccnc3)C2)[nH]1 ZINC000577489317 365966656 /nfs/dbraw/zinc/96/66/56/365966656.db2.gz PYECQNYBCGGZBQ-SNVBAGLBSA-N 1 2 245.286 0.895 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(C2CC2)CC1 ZINC000061679435 350525107 /nfs/dbraw/zinc/52/51/07/350525107.db2.gz HHJWMYMSYMTHLE-JTQLQIEISA-N 1 2 211.309 0.030 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(C2CC2)CC1 ZINC000061679436 350525300 /nfs/dbraw/zinc/52/53/00/350525300.db2.gz HHJWMYMSYMTHLE-SNVBAGLBSA-N 1 2 211.309 0.030 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](F)C1 ZINC000637441700 350582788 /nfs/dbraw/zinc/58/27/88/350582788.db2.gz NHDBVSXUNYQNFQ-NXEZZACHSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](F)C1 ZINC000637441700 350582791 /nfs/dbraw/zinc/58/27/91/350582791.db2.gz NHDBVSXUNYQNFQ-NXEZZACHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443363 350584388 /nfs/dbraw/zinc/58/43/88/350584388.db2.gz XQGNFBLSJWWTMH-OUAUKWLOSA-N 1 2 241.335 0.509 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443363 350584391 /nfs/dbraw/zinc/58/43/91/350584391.db2.gz XQGNFBLSJWWTMH-OUAUKWLOSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000637444472 350586030 /nfs/dbraw/zinc/58/60/30/350586030.db2.gz RXRHASOIWPJUAE-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000637444472 350586033 /nfs/dbraw/zinc/58/60/33/350586033.db2.gz RXRHASOIWPJUAE-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO C[C@H]1CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445905 350586824 /nfs/dbraw/zinc/58/68/24/350586824.db2.gz NDWGDKYKWHSKGZ-UWVGGRQHSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@H]1CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445905 350586827 /nfs/dbraw/zinc/58/68/27/350586827.db2.gz NDWGDKYKWHSKGZ-UWVGGRQHSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@H](C(=O)NCC(F)(F)CO)[NH+]1CC(C)C1 ZINC000577529386 365980499 /nfs/dbraw/zinc/98/04/99/365980499.db2.gz RMJVZESEDGKWLG-MRVPVSSYSA-N 1 2 236.262 0.070 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000094789911 350609806 /nfs/dbraw/zinc/60/98/06/350609806.db2.gz FHPJLJYHPBGALD-LLVKDONJSA-N 1 2 212.293 0.330 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606937321 350629629 /nfs/dbraw/zinc/62/96/29/350629629.db2.gz WVZLOHDPFDQCMD-JGVFFNPUSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606937321 350629631 /nfs/dbraw/zinc/62/96/31/350629631.db2.gz WVZLOHDPFDQCMD-JGVFFNPUSA-N 1 2 243.225 0.257 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc(C)n1 ZINC000094923840 350633994 /nfs/dbraw/zinc/63/39/94/350633994.db2.gz IZLYIYZMXGAWAV-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc(C)n1 ZINC000094923840 350633997 /nfs/dbraw/zinc/63/39/97/350633997.db2.gz IZLYIYZMXGAWAV-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000096474531 350677796 /nfs/dbraw/zinc/67/77/96/350677796.db2.gz MXAQQXRLTJBZQL-VIFPVBQESA-N 1 2 221.260 0.784 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@](O)(CO)C2)n1 ZINC000628307884 350689309 /nfs/dbraw/zinc/68/93/09/350689309.db2.gz IIRCTBRBCGAUPX-NSHDSACASA-N 1 2 225.292 0.037 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC[C@@](O)(CO)C2)n1 ZINC000628307884 350689312 /nfs/dbraw/zinc/68/93/12/350689312.db2.gz IIRCTBRBCGAUPX-NSHDSACASA-N 1 2 225.292 0.037 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593217 350697717 /nfs/dbraw/zinc/69/77/17/350697717.db2.gz PPSOEYNHLRJYMH-NSHDSACASA-N 1 2 232.299 0.165 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593217 350697719 /nfs/dbraw/zinc/69/77/19/350697719.db2.gz PPSOEYNHLRJYMH-NSHDSACASA-N 1 2 232.299 0.165 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)C1CCC1 ZINC000617311630 350721561 /nfs/dbraw/zinc/72/15/61/350721561.db2.gz IKUGHEJWURQOLZ-LLVKDONJSA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](CO)C1CCC1 ZINC000617311630 350721567 /nfs/dbraw/zinc/72/15/67/350721567.db2.gz IKUGHEJWURQOLZ-LLVKDONJSA-N 1 2 237.303 0.538 20 0 BCADLO CC[C@@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000339136392 350735969 /nfs/dbraw/zinc/73/59/69/350735969.db2.gz NQCAOMCRBONQAC-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000339136392 350735973 /nfs/dbraw/zinc/73/59/73/350735973.db2.gz NQCAOMCRBONQAC-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)NC(C)C)n1 ZINC000336653616 180499366 /nfs/dbraw/zinc/49/93/66/180499366.db2.gz GEPSKINXBMSNSP-ZETCQYMHSA-N 1 2 226.280 0.553 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000051736220 350815215 /nfs/dbraw/zinc/81/52/15/350815215.db2.gz IKFNBPLNTOLYFU-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000051736220 350815217 /nfs/dbraw/zinc/81/52/17/350815217.db2.gz IKFNBPLNTOLYFU-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NCCCOC)CCO1 ZINC000051736470 350815250 /nfs/dbraw/zinc/81/52/50/350815250.db2.gz ZLDVAHKTKHKJOB-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NCCCOC)CCO1 ZINC000051736470 350815256 /nfs/dbraw/zinc/81/52/56/350815256.db2.gz ZLDVAHKTKHKJOB-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2cnns2)CCC1=O ZINC000563362423 350824416 /nfs/dbraw/zinc/82/44/16/350824416.db2.gz CLMSUGUIHGAZQI-MRVPVSSYSA-N 1 2 240.332 0.591 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2cnns2)CCC1=O ZINC000563362423 350824418 /nfs/dbraw/zinc/82/44/18/350824418.db2.gz CLMSUGUIHGAZQI-MRVPVSSYSA-N 1 2 240.332 0.591 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccco1 ZINC000401731123 350819816 /nfs/dbraw/zinc/81/98/16/350819816.db2.gz UOHKSBLNNWMFLY-UHFFFAOYSA-N 1 2 219.244 0.986 20 0 BCADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)CO ZINC000339627618 350769559 /nfs/dbraw/zinc/76/95/59/350769559.db2.gz LZMRXFMXMIWWRO-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)CO ZINC000339627618 350769560 /nfs/dbraw/zinc/76/95/60/350769560.db2.gz LZMRXFMXMIWWRO-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@H](C)CO ZINC000339631304 350770753 /nfs/dbraw/zinc/77/07/53/350770753.db2.gz VBDXFVDATQHOPJ-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@H](C)CO ZINC000339631304 350770754 /nfs/dbraw/zinc/77/07/54/350770754.db2.gz VBDXFVDATQHOPJ-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO O=C1C[C@H](CNc2cc[nH+]c3ccncc23)CN1 ZINC000577588046 366006932 /nfs/dbraw/zinc/00/69/32/366006932.db2.gz FQUSZIAUGKSRAQ-SECBINFHSA-N 1 2 242.282 0.600 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(Cc3csnn3)C[C@H]21 ZINC000336681102 350903549 /nfs/dbraw/zinc/90/35/49/350903549.db2.gz XXJCDXITSLQCLK-ZJUUUORDSA-N 1 2 240.332 0.053 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(Cc3csnn3)C[C@H]21 ZINC000336681102 350903553 /nfs/dbraw/zinc/90/35/53/350903553.db2.gz XXJCDXITSLQCLK-ZJUUUORDSA-N 1 2 240.332 0.053 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](CO)OC(C)(C)C2)[nH+]1 ZINC000628315820 350917508 /nfs/dbraw/zinc/91/75/08/350917508.db2.gz XUCCRBWIRPHDEN-SNVBAGLBSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)o1 ZINC000628315247 350876704 /nfs/dbraw/zinc/87/67/04/350876704.db2.gz DNNKHKAXPXOOCL-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)o1 ZINC000628315247 350876705 /nfs/dbraw/zinc/87/67/05/350876705.db2.gz DNNKHKAXPXOOCL-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO CCn1cc(C(=O)Nc2cc[nH+]cc2O)c(C)n1 ZINC000626291156 350893023 /nfs/dbraw/zinc/89/30/23/350893023.db2.gz WMQOAHYBQDVRHR-UHFFFAOYSA-N 1 2 246.270 0.986 20 0 BCADLO O=C(C[N@H+]1CCCC[C@H]1CO)Nc1ccon1 ZINC000052616540 351022436 /nfs/dbraw/zinc/02/24/36/351022436.db2.gz SETNFEDDHFDXBQ-VIFPVBQESA-N 1 2 239.275 0.460 20 0 BCADLO O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1ccon1 ZINC000052616540 351022440 /nfs/dbraw/zinc/02/24/40/351022440.db2.gz SETNFEDDHFDXBQ-VIFPVBQESA-N 1 2 239.275 0.460 20 0 BCADLO CCCCNC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659200 351064822 /nfs/dbraw/zinc/06/48/22/351064822.db2.gz JCJZPLZDLDCDIL-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659200 351064827 /nfs/dbraw/zinc/06/48/27/351064827.db2.gz JCJZPLZDLDCDIL-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659321 351064961 /nfs/dbraw/zinc/06/49/61/351064961.db2.gz HNPSKZMTQMMZGD-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659321 351064964 /nfs/dbraw/zinc/06/49/64/351064964.db2.gz HNPSKZMTQMMZGD-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO CN(C)c1ncc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000623578156 363010066 /nfs/dbraw/zinc/01/00/66/363010066.db2.gz XOKYSIZRDFDBOU-UHFFFAOYSA-N 1 2 238.320 0.617 20 0 BCADLO c1nn[nH]c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000398364653 351123382 /nfs/dbraw/zinc/12/33/82/351123382.db2.gz ZELKDEUTCWHIRE-UHFFFAOYSA-N 1 2 246.270 0.866 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)no1 ZINC000052723691 351067670 /nfs/dbraw/zinc/06/76/70/351067670.db2.gz UAXSEPMMJOHYIU-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)no1 ZINC000052723691 351067675 /nfs/dbraw/zinc/06/76/75/351067675.db2.gz UAXSEPMMJOHYIU-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccncc1 ZINC000259194596 351068539 /nfs/dbraw/zinc/06/85/39/351068539.db2.gz INFVSDBUXKKETP-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccncc1 ZINC000259194596 351068542 /nfs/dbraw/zinc/06/85/42/351068542.db2.gz INFVSDBUXKKETP-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO O=C(N1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000306848260 351158061 /nfs/dbraw/zinc/15/80/61/351158061.db2.gz LFMWQZVIVVGRBN-UHFFFAOYSA-N 1 2 219.166 0.857 20 0 BCADLO O=C(N1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000306848260 351158065 /nfs/dbraw/zinc/15/80/65/351158065.db2.gz LFMWQZVIVVGRBN-UHFFFAOYSA-N 1 2 219.166 0.857 20 0 BCADLO OCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC000616649502 351178798 /nfs/dbraw/zinc/17/87/98/351178798.db2.gz VVBVQNCTTBUWOO-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC000616649502 351178803 /nfs/dbraw/zinc/17/88/03/351178803.db2.gz VVBVQNCTTBUWOO-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO Cc1[nH]c(CN(C)Cc2cn(C)nn2)[nH+]c1C ZINC000628340711 351284765 /nfs/dbraw/zinc/28/47/65/351284765.db2.gz SJGGJJLXZBXJKT-UHFFFAOYSA-N 1 2 234.307 0.787 20 0 BCADLO CCOCC(=O)NCCc1cn(C)c[nH+]1 ZINC000313290837 351316101 /nfs/dbraw/zinc/31/61/01/351316101.db2.gz FPHLSFDJHOEIMG-UHFFFAOYSA-N 1 2 211.265 0.115 20 0 BCADLO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCOC1=O ZINC000306965574 351385294 /nfs/dbraw/zinc/38/52/94/351385294.db2.gz KFLNCSMXGKVTBT-PRJMDXOYSA-N 1 2 201.291 0.643 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cncc(O)c2)c1 ZINC000313479019 351364063 /nfs/dbraw/zinc/36/40/63/351364063.db2.gz HCUQQPFJQFXKHX-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cn1 ZINC000414573579 351422752 /nfs/dbraw/zinc/42/27/52/351422752.db2.gz LYKXBDXHYBYVRY-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)cn1 ZINC000414573579 351422753 /nfs/dbraw/zinc/42/27/53/351422753.db2.gz LYKXBDXHYBYVRY-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CCN1CCN(Cc2c[nH+]cn2C)CC1=O ZINC000273375429 351524591 /nfs/dbraw/zinc/52/45/91/351524591.db2.gz CLIOZRKHUAOESJ-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cnn(C)c1 ZINC000088094404 351568424 /nfs/dbraw/zinc/56/84/24/351568424.db2.gz CFRINUVSMHTSES-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cnn(C)c1 ZINC000088094404 351568425 /nfs/dbraw/zinc/56/84/25/351568425.db2.gz CFRINUVSMHTSES-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000577623715 366022741 /nfs/dbraw/zinc/02/27/41/366022741.db2.gz YPBDWSSNJUPZSW-JTQLQIEISA-N 1 2 239.319 0.024 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000577623715 366022748 /nfs/dbraw/zinc/02/27/48/366022748.db2.gz YPBDWSSNJUPZSW-JTQLQIEISA-N 1 2 239.319 0.024 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1ccncc1F ZINC000335795673 538100573 /nfs/dbraw/zinc/10/05/73/538100573.db2.gz QLJBIPARXJSPMG-UHFFFAOYSA-N 1 2 249.249 0.698 20 0 BCADLO NS(=O)(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000637831366 351684961 /nfs/dbraw/zinc/68/49/61/351684961.db2.gz XAPBDVXDENMACP-UHFFFAOYSA-N 1 2 230.289 0.523 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(F)c1N ZINC000637864871 351723955 /nfs/dbraw/zinc/72/39/55/351723955.db2.gz SOCZRNDVWSTEHI-UHFFFAOYSA-N 1 2 239.294 0.928 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(F)c1N ZINC000637864871 351723957 /nfs/dbraw/zinc/72/39/57/351723957.db2.gz SOCZRNDVWSTEHI-UHFFFAOYSA-N 1 2 239.294 0.928 20 0 BCADLO CCCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868304 351732125 /nfs/dbraw/zinc/73/21/25/351732125.db2.gz AUUXBQHEHVCSQL-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cn1cc(C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000299219834 180633104 /nfs/dbraw/zinc/63/31/04/180633104.db2.gz LDXFBJRXSMNYRC-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO CCOC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577758171 366055179 /nfs/dbraw/zinc/05/51/79/366055179.db2.gz UJEWOTDVKRXOHD-SECBINFHSA-N 1 2 239.275 0.514 20 0 BCADLO [NH3+][C@@H]1CC=C(C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000637906739 351776134 /nfs/dbraw/zinc/77/61/34/351776134.db2.gz XTVAPRYLBFBCEY-MRVPVSSYSA-N 1 2 243.270 0.944 20 0 BCADLO CCCN(CC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637907916 351780641 /nfs/dbraw/zinc/78/06/41/351780641.db2.gz VXNNYEXNTJWBOW-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338369687 180646418 /nfs/dbraw/zinc/64/64/18/180646418.db2.gz JNEIFQBXLADUQX-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338369687 180646419 /nfs/dbraw/zinc/64/64/19/180646419.db2.gz JNEIFQBXLADUQX-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637937606 351815326 /nfs/dbraw/zinc/81/53/26/351815326.db2.gz VVHVXZWWUJIPSR-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@H+](Cc1cc(OC)ccn1)[C@H]1CCNC1=O ZINC000282483732 351934448 /nfs/dbraw/zinc/93/44/48/351934448.db2.gz VOHRXHCOLOTLSP-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cc(OC)ccn1)[C@H]1CCNC1=O ZINC000282483732 351934449 /nfs/dbraw/zinc/93/44/49/351934449.db2.gz VOHRXHCOLOTLSP-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CCN(Cc1cc(OC)cc[nH+]1)[C@H]1CCNC1=O ZINC000282483732 351934452 /nfs/dbraw/zinc/93/44/52/351934452.db2.gz VOHRXHCOLOTLSP-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2c[nH]c3ncncc23)CCO1 ZINC000638068431 351939816 /nfs/dbraw/zinc/93/98/16/351939816.db2.gz XJNTXPKTSQWHSW-JTQLQIEISA-N 1 2 248.286 0.103 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CCO1 ZINC000638068431 351939817 /nfs/dbraw/zinc/93/98/17/351939817.db2.gz XJNTXPKTSQWHSW-JTQLQIEISA-N 1 2 248.286 0.103 20 0 BCADLO Nc1c(F)cccc1C[N@@H+]1CCNC(=O)CC1 ZINC000638031132 351913186 /nfs/dbraw/zinc/91/31/86/351913186.db2.gz LZRVCTDUFMIUQD-UHFFFAOYSA-N 1 2 237.278 0.730 20 0 BCADLO Nc1c(F)cccc1C[N@H+]1CCNC(=O)CC1 ZINC000638031132 351913187 /nfs/dbraw/zinc/91/31/87/351913187.db2.gz LZRVCTDUFMIUQD-UHFFFAOYSA-N 1 2 237.278 0.730 20 0 BCADLO O=c1ccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c[nH]1 ZINC000638086818 351963995 /nfs/dbraw/zinc/96/39/95/351963995.db2.gz JWOJDNZQKWVAEC-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO O=c1ccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c[nH]1 ZINC000638086818 351963998 /nfs/dbraw/zinc/96/39/98/351963998.db2.gz JWOJDNZQKWVAEC-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO Cc1ncc([C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000638184834 352051614 /nfs/dbraw/zinc/05/16/14/352051614.db2.gz VOXYFNDWTMPESB-BXKDBHETSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000638184834 352051616 /nfs/dbraw/zinc/05/16/16/352051616.db2.gz VOXYFNDWTMPESB-BXKDBHETSA-N 1 2 248.330 0.975 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000340213114 352057271 /nfs/dbraw/zinc/05/72/71/352057271.db2.gz STNHREWWRIXWIG-JTQLQIEISA-N 1 2 222.292 0.223 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000340213114 352057273 /nfs/dbraw/zinc/05/72/73/352057273.db2.gz STNHREWWRIXWIG-JTQLQIEISA-N 1 2 222.292 0.223 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@H]1CCNC1=O ZINC000340217407 352068952 /nfs/dbraw/zinc/06/89/52/352068952.db2.gz CBHDEDHIOQMETF-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340217407 352068956 /nfs/dbraw/zinc/06/89/56/352068956.db2.gz CBHDEDHIOQMETF-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc[nH]2)[C@H](C)C1 ZINC000288430202 352149353 /nfs/dbraw/zinc/14/93/53/352149353.db2.gz MOQJKTJCHZRYRF-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc[nH]2)[C@H](C)C1 ZINC000288430202 352149354 /nfs/dbraw/zinc/14/93/54/352149354.db2.gz MOQJKTJCHZRYRF-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)C[C@H](C)O ZINC000083995508 352207708 /nfs/dbraw/zinc/20/77/08/352207708.db2.gz AGZPOOBRYHMIKM-JTQLQIEISA-N 1 2 226.324 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)C[C@H](C)O ZINC000083995508 352207709 /nfs/dbraw/zinc/20/77/09/352207709.db2.gz AGZPOOBRYHMIKM-JTQLQIEISA-N 1 2 226.324 0.747 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(F)(F)C1 ZINC000613342896 363126142 /nfs/dbraw/zinc/12/61/42/363126142.db2.gz LRMGWQNYGKKLJY-SSDOTTSWSA-N 1 2 241.241 0.992 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(F)(F)C1 ZINC000613342896 363126147 /nfs/dbraw/zinc/12/61/47/363126147.db2.gz LRMGWQNYGKKLJY-SSDOTTSWSA-N 1 2 241.241 0.992 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC(F)(F)C1 ZINC000613342897 363126332 /nfs/dbraw/zinc/12/63/32/363126332.db2.gz LRMGWQNYGKKLJY-ZETCQYMHSA-N 1 2 241.241 0.992 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC(F)(F)C1 ZINC000613342897 363126336 /nfs/dbraw/zinc/12/63/36/363126336.db2.gz LRMGWQNYGKKLJY-ZETCQYMHSA-N 1 2 241.241 0.992 20 0 BCADLO CC[NH2+][C@@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000638443322 352252901 /nfs/dbraw/zinc/25/29/01/352252901.db2.gz KJMQGDBLQLLAOL-JTQLQIEISA-N 1 2 238.335 0.765 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(N)=O ZINC000411187264 191168381 /nfs/dbraw/zinc/16/83/81/191168381.db2.gz ZUEQTMWDKKZKER-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(N)=O ZINC000411187264 191168384 /nfs/dbraw/zinc/16/83/84/191168384.db2.gz ZUEQTMWDKKZKER-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO C[C@H](C[N@H+](C)CCN1CCCC1)S(C)(=O)=O ZINC000411261458 191174661 /nfs/dbraw/zinc/17/46/61/191174661.db2.gz FJWRQWFRNYXGTO-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@H](C[N@@H+](C)CCN1CCCC1)S(C)(=O)=O ZINC000411261458 191174664 /nfs/dbraw/zinc/17/46/64/191174664.db2.gz FJWRQWFRNYXGTO-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H](C[N@H+](C)CCN1CCCC1)S(C)(=O)=O ZINC000411261489 191174835 /nfs/dbraw/zinc/17/48/35/191174835.db2.gz FJWRQWFRNYXGTO-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H](C[N@@H+](C)CCN1CCCC1)S(C)(=O)=O ZINC000411261489 191174837 /nfs/dbraw/zinc/17/48/37/191174837.db2.gz FJWRQWFRNYXGTO-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CCC[N@H+](Cc2cc(C)ncn2)CC1=O ZINC000292855255 352331450 /nfs/dbraw/zinc/33/14/50/352331450.db2.gz OCOSFZBMRXCYJJ-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCN1CCC[N@@H+](Cc2cc(C)ncn2)CC1=O ZINC000292855255 352331453 /nfs/dbraw/zinc/33/14/53/352331453.db2.gz OCOSFZBMRXCYJJ-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC[N@H+](Cc1conc1C)[C@H]1CCNC1=O ZINC000294848973 352386323 /nfs/dbraw/zinc/38/63/23/352386323.db2.gz ZSMLWFSUDXRFMV-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1conc1C)[C@H]1CCNC1=O ZINC000294848973 352386326 /nfs/dbraw/zinc/38/63/26/352386326.db2.gz ZSMLWFSUDXRFMV-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO COC(=O)CC[NH2+]C1(C(=O)OC)CCCC1 ZINC000411407225 191183933 /nfs/dbraw/zinc/18/39/33/191183933.db2.gz KYNVSXBXXFSBPX-UHFFFAOYSA-N 1 2 229.276 0.625 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)[C@@H](C)C1 ZINC000293692093 352358665 /nfs/dbraw/zinc/35/86/65/352358665.db2.gz QSNZWSXTVQOPKJ-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)[C@@H](C)C1 ZINC000293692093 352358669 /nfs/dbraw/zinc/35/86/69/352358669.db2.gz QSNZWSXTVQOPKJ-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000411611825 191196733 /nfs/dbraw/zinc/19/67/33/191196733.db2.gz ZRJAVKXPXYNBOW-HNNXBMFYSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000411611825 191196736 /nfs/dbraw/zinc/19/67/36/191196736.db2.gz ZRJAVKXPXYNBOW-HNNXBMFYSA-N 1 2 233.333 0.392 20 0 BCADLO CC[NH+]1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 ZINC000296134474 352436856 /nfs/dbraw/zinc/43/68/56/352436856.db2.gz JCYJJRLPVUKWMK-UHFFFAOYSA-N 1 2 235.287 0.362 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000335778194 133901360 /nfs/dbraw/zinc/90/13/60/133901360.db2.gz BPCPBIXTSOPHDH-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO COC[C@@H](CCO)[NH2+]Cc1ncc(C)o1 ZINC000638649050 352491774 /nfs/dbraw/zinc/49/17/74/352491774.db2.gz OJDODSODVHSRBQ-SECBINFHSA-N 1 2 214.265 0.470 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CCCF ZINC000355088103 180746408 /nfs/dbraw/zinc/74/64/08/180746408.db2.gz GJSPBTKADFMQNP-UHFFFAOYSA-N 1 2 235.284 0.199 20 0 BCADLO CO[C@@](C)([C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000411967865 191234157 /nfs/dbraw/zinc/23/41/57/191234157.db2.gz IVZMMGWNNXWPJB-CPCISQLKSA-N 1 2 240.307 0.804 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cscn1 ZINC000307603029 180786049 /nfs/dbraw/zinc/78/60/49/180786049.db2.gz YJGFIFYZZFFFNU-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO CC[N@H+](CC(=O)NC(N)=O)Cc1occc1C ZINC000412036084 191247664 /nfs/dbraw/zinc/24/76/64/191247664.db2.gz GWPPTNZLWAEACY-UHFFFAOYSA-N 1 2 239.275 0.605 20 0 BCADLO CC[N@@H+](CC(=O)NC(N)=O)Cc1occc1C ZINC000412036084 191247666 /nfs/dbraw/zinc/24/76/66/191247666.db2.gz GWPPTNZLWAEACY-UHFFFAOYSA-N 1 2 239.275 0.605 20 0 BCADLO CC1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000334174267 352759002 /nfs/dbraw/zinc/75/90/02/352759002.db2.gz BZCMQYIQUVGQRD-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO CC(C)N1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC000334177879 352763815 /nfs/dbraw/zinc/76/38/15/352763815.db2.gz DMLQUXJCUAEUPS-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)N1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC000334177879 352763819 /nfs/dbraw/zinc/76/38/19/352763819.db2.gz DMLQUXJCUAEUPS-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCCC1 ZINC000334214002 352812645 /nfs/dbraw/zinc/81/26/45/352812645.db2.gz BIKZQSGLPMOFGX-SECBINFHSA-N 1 2 249.314 0.688 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(O)CCCC1 ZINC000334214002 352812649 /nfs/dbraw/zinc/81/26/49/352812649.db2.gz BIKZQSGLPMOFGX-SECBINFHSA-N 1 2 249.314 0.688 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)c[nH]1 ZINC000334192191 352783408 /nfs/dbraw/zinc/78/34/08/352783408.db2.gz IRPRNGSGXRCWTR-UHFFFAOYSA-N 1 2 208.196 0.807 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)n1 ZINC000412073102 191251646 /nfs/dbraw/zinc/25/16/46/191251646.db2.gz HHGZCBDJLDSRKZ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)n1 ZINC000412073102 191251649 /nfs/dbraw/zinc/25/16/49/191251649.db2.gz HHGZCBDJLDSRKZ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CC(C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000334201891 352795408 /nfs/dbraw/zinc/79/54/08/352795408.db2.gz OONVLQJFPWEWJV-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202572 352796474 /nfs/dbraw/zinc/79/64/74/352796474.db2.gz PUZIMXOZSUEIJU-IUCAKERBSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202572 352796477 /nfs/dbraw/zinc/79/64/77/352796477.db2.gz PUZIMXOZSUEIJU-IUCAKERBSA-N 1 2 222.292 0.574 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000334204278 352798671 /nfs/dbraw/zinc/79/86/71/352798671.db2.gz VRWZCLFNRXTZIR-UWVGGRQHSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000334204278 352798672 /nfs/dbraw/zinc/79/86/72/352798672.db2.gz VRWZCLFNRXTZIR-UWVGGRQHSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)N1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC000334206765 352801744 /nfs/dbraw/zinc/80/17/44/352801744.db2.gz DMLQUXJCUAEUPS-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)N1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC000334206765 352801747 /nfs/dbraw/zinc/80/17/47/352801747.db2.gz DMLQUXJCUAEUPS-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO Cn1cnnc1SCCn1cc[nH+]c1 ZINC000338158849 180795653 /nfs/dbraw/zinc/79/56/53/180795653.db2.gz BCUQGCMJMVXECT-UHFFFAOYSA-N 1 2 209.278 0.804 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342857465 352877295 /nfs/dbraw/zinc/87/72/95/352877295.db2.gz MCAVFPWLVVZXMP-SECBINFHSA-N 1 2 225.292 0.722 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334244673 352833893 /nfs/dbraw/zinc/83/38/93/352833893.db2.gz RBKXEZABRKKQRJ-GMSGAONNSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334244673 352833894 /nfs/dbraw/zinc/83/38/94/352833894.db2.gz RBKXEZABRKKQRJ-GMSGAONNSA-N 1 2 231.271 0.264 20 0 BCADLO COCCCOCC(=O)NCc1[nH]c[nH+]c1C ZINC000342866611 352882406 /nfs/dbraw/zinc/88/24/06/352882406.db2.gz GGRGVHCORLVGCS-UHFFFAOYSA-N 1 2 241.291 0.387 20 0 BCADLO Cn1cc(C[N@@H+]2CCOCC23CCCC3)nn1 ZINC000342873110 352884485 /nfs/dbraw/zinc/88/44/85/352884485.db2.gz JWEGEKKKGVVHNA-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cn1cc(C[N@H+]2CCOCC23CCCC3)nn1 ZINC000342873110 352884487 /nfs/dbraw/zinc/88/44/87/352884487.db2.gz JWEGEKKKGVVHNA-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ccn1 ZINC000342876544 352885304 /nfs/dbraw/zinc/88/53/04/352885304.db2.gz RWFJTQDLIULYOE-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)ccn1 ZINC000342876544 352885305 /nfs/dbraw/zinc/88/53/05/352885305.db2.gz RWFJTQDLIULYOE-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000334250629 352886528 /nfs/dbraw/zinc/88/65/28/352886528.db2.gz HWHIUYPLJKPMSP-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO Cc1c(C[N@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000334250629 352886531 /nfs/dbraw/zinc/88/65/31/352886531.db2.gz HWHIUYPLJKPMSP-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCCN(C)CC1 ZINC000334262389 352895349 /nfs/dbraw/zinc/89/53/49/352895349.db2.gz VEMGOVGAPFICAG-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCCN(C)CC1 ZINC000334262389 352895353 /nfs/dbraw/zinc/89/53/53/352895353.db2.gz VEMGOVGAPFICAG-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO CCN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000334264429 352898679 /nfs/dbraw/zinc/89/86/79/352898679.db2.gz KXMSPEXQBMKCCQ-VIFPVBQESA-N 1 2 222.292 0.859 20 0 BCADLO CCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000334264427 352898795 /nfs/dbraw/zinc/89/87/95/352898795.db2.gz KXMSPEXQBMKCCQ-SECBINFHSA-N 1 2 222.292 0.859 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CN1C ZINC000334352504 352988680 /nfs/dbraw/zinc/98/86/80/352988680.db2.gz XGIICIUKCILQDT-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CN1C ZINC000334352504 352988682 /nfs/dbraw/zinc/98/86/82/352988682.db2.gz XGIICIUKCILQDT-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000334315945 352946984 /nfs/dbraw/zinc/94/69/84/352946984.db2.gz OBFHORCYJLOZGR-UHFFFAOYSA-N 1 2 236.319 0.402 20 0 BCADLO Cc1cnn(CC[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000334315945 352946987 /nfs/dbraw/zinc/94/69/87/352946987.db2.gz OBFHORCYJLOZGR-UHFFFAOYSA-N 1 2 236.319 0.402 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(F)F)C[C@@H]21 ZINC000334318414 352948523 /nfs/dbraw/zinc/94/85/23/352948523.db2.gz WKGWZRJQEXYSNY-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(F)F)C[C@@H]21 ZINC000334318414 352948528 /nfs/dbraw/zinc/94/85/28/352948528.db2.gz WKGWZRJQEXYSNY-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC000334328596 352965745 /nfs/dbraw/zinc/96/57/45/352965745.db2.gz MYHYSZIIUGABMI-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC000334328596 352965748 /nfs/dbraw/zinc/96/57/48/352965748.db2.gz MYHYSZIIUGABMI-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000334362996 353015236 /nfs/dbraw/zinc/01/52/36/353015236.db2.gz LDIBHHNLQXHXFP-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000334362996 353015238 /nfs/dbraw/zinc/01/52/38/353015238.db2.gz LDIBHHNLQXHXFP-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CCCCC[N@H+](CCO)Cc1nnnn1C ZINC000352572920 168692902 /nfs/dbraw/zinc/69/29/02/168692902.db2.gz OBFQKNOCSYPDST-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CCCCC[N@@H+](CCO)Cc1nnnn1C ZINC000352572920 168692903 /nfs/dbraw/zinc/69/29/03/168692903.db2.gz OBFQKNOCSYPDST-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000334384076 353046516 /nfs/dbraw/zinc/04/65/16/353046516.db2.gz HYVLECUEXVQQDS-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO C/C=C/CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000627932134 353108721 /nfs/dbraw/zinc/10/87/21/353108721.db2.gz LHYANFCMKVBFAJ-ONEGZZNKSA-N 1 2 249.270 0.721 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCCO ZINC000307413706 188008411 /nfs/dbraw/zinc/00/84/11/188008411.db2.gz HQXUWCALFLOYKI-ZDUSSCGKSA-N 1 2 205.323 0.212 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1CCCO ZINC000307413706 188008413 /nfs/dbraw/zinc/00/84/13/188008413.db2.gz HQXUWCALFLOYKI-ZDUSSCGKSA-N 1 2 205.323 0.212 20 0 BCADLO CC(C)COCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000336699405 188011154 /nfs/dbraw/zinc/01/11/54/188011154.db2.gz UNTVSBZHDXEQTB-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)COCC[N@H+]1CCNC(=O)[C@H]1C ZINC000336699405 188011156 /nfs/dbraw/zinc/01/11/56/188011156.db2.gz UNTVSBZHDXEQTB-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+](C)CCOCCO)s1 ZINC000338361327 188017333 /nfs/dbraw/zinc/01/73/33/188017333.db2.gz RJSJSHIDFKPQQF-MRVPVSSYSA-N 1 2 245.348 0.848 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCCO)s1 ZINC000338361327 188017335 /nfs/dbraw/zinc/01/73/35/188017335.db2.gz RJSJSHIDFKPQQF-MRVPVSSYSA-N 1 2 245.348 0.848 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(O)CCCCC1 ZINC000073879680 353131152 /nfs/dbraw/zinc/13/11/52/353131152.db2.gz DRCNWYDSLAKNGG-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO Cc1cccc(CNC(=O)C[N@H+](C)CC(N)=O)c1 ZINC000264730442 188021929 /nfs/dbraw/zinc/02/19/29/188021929.db2.gz RCAUTIXABRMFKN-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO Cc1cccc(CNC(=O)C[N@@H+](C)CC(N)=O)c1 ZINC000264730442 188021930 /nfs/dbraw/zinc/02/19/30/188021930.db2.gz RCAUTIXABRMFKN-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO CC(C)[C@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000265944172 188022043 /nfs/dbraw/zinc/02/20/43/188022043.db2.gz LWTLVTZCFLIVNM-SECBINFHSA-N 1 2 240.307 0.236 20 0 BCADLO CC(=O)NCC(=O)Nc1ccc(C)[nH+]c1C ZINC000267996131 188023061 /nfs/dbraw/zinc/02/30/61/188023061.db2.gz LGSIBOXYVLKSEI-UHFFFAOYSA-N 1 2 221.260 0.773 20 0 BCADLO COC(=O)C1(C[N@H+](C)Cc2noc(C)n2)CC1 ZINC000279279325 188031770 /nfs/dbraw/zinc/03/17/70/188031770.db2.gz WNACMPBLGPNCMS-UHFFFAOYSA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)C1(C[N@@H+](C)Cc2noc(C)n2)CC1 ZINC000279279325 188031771 /nfs/dbraw/zinc/03/17/71/188031771.db2.gz WNACMPBLGPNCMS-UHFFFAOYSA-N 1 2 239.275 0.763 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000330364128 188046003 /nfs/dbraw/zinc/04/60/03/188046003.db2.gz FNPVDPIFVCTQGI-UHFFFAOYSA-N 1 2 239.319 0.208 20 0 BCADLO Cc1ccnc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000330364128 188046004 /nfs/dbraw/zinc/04/60/04/188046004.db2.gz FNPVDPIFVCTQGI-UHFFFAOYSA-N 1 2 239.319 0.208 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC(O)C1 ZINC000331509973 188052658 /nfs/dbraw/zinc/05/26/58/188052658.db2.gz BHPBZXPLIHWWJQ-UHFFFAOYSA-N 1 2 223.276 0.324 20 0 BCADLO Cn1c[nH+]cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336298036 188054851 /nfs/dbraw/zinc/05/48/51/188054851.db2.gz ZAMSJLKPGCFNPL-UHFFFAOYSA-N 1 2 234.347 0.996 20 0 BCADLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000336305343 188054969 /nfs/dbraw/zinc/05/49/69/188054969.db2.gz ULGDXNOLMMEVAG-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000336305343 188054970 /nfs/dbraw/zinc/05/49/70/188054970.db2.gz ULGDXNOLMMEVAG-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1cnc(C[NH2+]CCNC(=O)c2ccn[nH]2)o1 ZINC000638963795 353173741 /nfs/dbraw/zinc/17/37/41/353173741.db2.gz PEYQIHLMHBXLOY-UHFFFAOYSA-N 1 2 249.274 0.226 20 0 BCADLO CC[C@@H](OC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330544807 353174677 /nfs/dbraw/zinc/17/46/77/353174677.db2.gz JUMNQIZNSAVPKB-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cnc(C[NH2+]CCc2n[nH]c(C)n2)o1 ZINC000638969136 353175847 /nfs/dbraw/zinc/17/58/47/353175847.db2.gz QXDFTINTBOHKSR-UHFFFAOYSA-N 1 2 221.264 0.742 20 0 BCADLO Cc1cnc(C[NH2+]CCc2nnc(C)[nH]2)o1 ZINC000638969136 353175849 /nfs/dbraw/zinc/17/58/49/353175849.db2.gz QXDFTINTBOHKSR-UHFFFAOYSA-N 1 2 221.264 0.742 20 0 BCADLO C[C@@H]1CCN(c2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000532088433 353168679 /nfs/dbraw/zinc/16/86/79/353168679.db2.gz SWNTXBSUHMOWKI-ZJUUUORDSA-N 1 2 247.306 0.494 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000188515390 353197053 /nfs/dbraw/zinc/19/70/53/353197053.db2.gz CRAGCCAZZJVQLO-AEJSXWLSSA-N 1 2 249.376 0.888 20 0 BCADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC(=O)N(C)C1 ZINC000638974093 353179422 /nfs/dbraw/zinc/17/94/22/353179422.db2.gz ZUFCNLZYBPCTGA-NSHDSACASA-N 1 2 234.303 0.603 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1(C)COC1 ZINC000291230928 538110595 /nfs/dbraw/zinc/11/05/95/538110595.db2.gz NNLUWDFCRIDRNE-UHFFFAOYSA-N 1 2 209.249 0.073 20 0 BCADLO CCN(CC)S(=O)(=O)NCc1c[nH+]cn1C ZINC000290271764 538110601 /nfs/dbraw/zinc/11/06/01/538110601.db2.gz UKSQZBFFPUVCNC-UHFFFAOYSA-N 1 2 246.336 0.096 20 0 BCADLO CC[N@H+](Cc1cccnc1OC)[C@@H]1CCNC1=O ZINC000331280540 353234093 /nfs/dbraw/zinc/23/40/93/353234093.db2.gz FHCCIBLJJRWCFR-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cccnc1OC)[C@@H]1CCNC1=O ZINC000331280540 353234096 /nfs/dbraw/zinc/23/40/96/353234096.db2.gz FHCCIBLJJRWCFR-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000188526569 353247307 /nfs/dbraw/zinc/24/73/07/353247307.db2.gz IFMKVQKVIWWTDV-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000188526569 353247308 /nfs/dbraw/zinc/24/73/08/353247308.db2.gz IFMKVQKVIWWTDV-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000357232151 188239984 /nfs/dbraw/zinc/23/99/84/188239984.db2.gz UHPYLLOOTMWKOD-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@](O)(C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000362569814 188244777 /nfs/dbraw/zinc/24/47/77/188244777.db2.gz PDLSOEGMLWOUGC-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO CC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000368979374 188246170 /nfs/dbraw/zinc/24/61/70/188246170.db2.gz LLQXOMHZRPYONJ-ZDUSSCGKSA-N 1 2 239.363 0.492 20 0 BCADLO CC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368979373 188247031 /nfs/dbraw/zinc/24/70/31/188247031.db2.gz LLQXOMHZRPYONJ-CYBMUJFWSA-N 1 2 239.363 0.492 20 0 BCADLO CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370555859 188247827 /nfs/dbraw/zinc/24/78/27/188247827.db2.gz IOZFQEGXQINICD-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO CC(=O)[C@H](NC(=O)C[N@H+](C)CCCO)C(C)C ZINC000304188343 188250535 /nfs/dbraw/zinc/25/05/35/188250535.db2.gz QATYXKPKZGKHLI-GFCCVEGCSA-N 1 2 244.335 0.030 20 0 BCADLO CC(=O)[C@H](NC(=O)C[N@@H+](C)CCCO)C(C)C ZINC000304188343 188250537 /nfs/dbraw/zinc/25/05/37/188250537.db2.gz QATYXKPKZGKHLI-GFCCVEGCSA-N 1 2 244.335 0.030 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251844942 353292753 /nfs/dbraw/zinc/29/27/53/353292753.db2.gz NAWIOHDPAORFIM-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251844942 353292755 /nfs/dbraw/zinc/29/27/55/353292755.db2.gz NAWIOHDPAORFIM-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000312936951 188255403 /nfs/dbraw/zinc/25/54/03/188255403.db2.gz ZRMMCGOSDHRUMZ-SECBINFHSA-N 1 2 247.360 0.738 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000312936951 188255404 /nfs/dbraw/zinc/25/54/04/188255404.db2.gz ZRMMCGOSDHRUMZ-SECBINFHSA-N 1 2 247.360 0.738 20 0 BCADLO Cc1nc(N(C)CC2(O)CCOCC2)cc[nH+]1 ZINC000162179848 188335381 /nfs/dbraw/zinc/33/53/81/188335381.db2.gz RWGRPXYDSTWGHF-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2ncnn2C)C1 ZINC000336661047 188357774 /nfs/dbraw/zinc/35/77/74/188357774.db2.gz BFFLJDVDVHZBOC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000336661047 188357775 /nfs/dbraw/zinc/35/77/75/188357775.db2.gz BFFLJDVDVHZBOC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCc1cc(C(=O)NCc2[nH+]ccn2C)[nH]n1 ZINC000343292252 353371394 /nfs/dbraw/zinc/37/13/94/353371394.db2.gz CUTBSECTQHJLKF-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CC(C)=CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000188633525 188348531 /nfs/dbraw/zinc/34/85/31/188348531.db2.gz KRUDJHVBUDTSLM-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)=CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000188633525 188348532 /nfs/dbraw/zinc/34/85/32/188348532.db2.gz KRUDJHVBUDTSLM-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364320120 188351252 /nfs/dbraw/zinc/35/12/52/188351252.db2.gz VZKNTODXWRNRLW-SECBINFHSA-N 1 2 227.304 0.785 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364320120 188351254 /nfs/dbraw/zinc/35/12/54/188351254.db2.gz VZKNTODXWRNRLW-SECBINFHSA-N 1 2 227.304 0.785 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCO ZINC000267183630 188372884 /nfs/dbraw/zinc/37/28/84/188372884.db2.gz ZQDRVLBPEYMIAU-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCO ZINC000267183630 188372887 /nfs/dbraw/zinc/37/28/87/188372887.db2.gz ZQDRVLBPEYMIAU-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO C[C@@H](C[S@](C)=O)N(C)c1cc(CO)cc[nH+]1 ZINC000398983374 353420828 /nfs/dbraw/zinc/42/08/28/353420828.db2.gz CAFFTOZBHOJZKI-FVMDXXJSSA-N 1 2 242.344 0.777 20 0 BCADLO CC(=O)CCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000337484572 188362904 /nfs/dbraw/zinc/36/29/04/188362904.db2.gz BEDODYDIDAQUOT-VIFPVBQESA-N 1 2 235.287 0.752 20 0 BCADLO CC(=O)CCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000337484572 188362905 /nfs/dbraw/zinc/36/29/05/188362905.db2.gz BEDODYDIDAQUOT-VIFPVBQESA-N 1 2 235.287 0.752 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000271011164 188375873 /nfs/dbraw/zinc/37/58/73/188375873.db2.gz XMOAROVRJGYPIX-SECBINFHSA-N 1 2 223.276 0.757 20 0 BCADLO CC(C)(NC(=O)c1ccc2[nH+]ccn2c1)C(N)=O ZINC000264583065 188370420 /nfs/dbraw/zinc/37/04/20/188370420.db2.gz LMDADYSFFHYZIQ-UHFFFAOYSA-N 1 2 246.270 0.328 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccc(O)c2)C1 ZINC000291492453 188390095 /nfs/dbraw/zinc/39/00/95/188390095.db2.gz SZAWMPISYVUCPB-UHFFFAOYSA-N 1 2 220.272 0.713 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)CCC(N)=O ZINC000286539990 188386775 /nfs/dbraw/zinc/38/67/75/188386775.db2.gz RUDSRMIIRVQYBJ-UHFFFAOYSA-N 1 2 239.323 0.241 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)CCC(N)=O ZINC000286539990 188386777 /nfs/dbraw/zinc/38/67/77/188386777.db2.gz RUDSRMIIRVQYBJ-UHFFFAOYSA-N 1 2 239.323 0.241 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226192 188387282 /nfs/dbraw/zinc/38/72/82/188387282.db2.gz OUPAVUCTZZKKMG-NXEZZACHSA-N 1 2 241.335 0.062 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226192 188387284 /nfs/dbraw/zinc/38/72/84/188387284.db2.gz OUPAVUCTZZKKMG-NXEZZACHSA-N 1 2 241.335 0.062 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)C[C@H](C)C1=O ZINC000288406007 188388729 /nfs/dbraw/zinc/38/87/29/188388729.db2.gz BTAMWJXPWLRAMS-QMMMGPOBSA-N 1 2 234.255 0.985 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000341165543 188397757 /nfs/dbraw/zinc/39/77/57/188397757.db2.gz CQWZGSSLVSODAI-LLVKDONJSA-N 1 2 238.335 0.890 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cncc(OC)c1C ZINC000639096972 353495045 /nfs/dbraw/zinc/49/50/45/353495045.db2.gz HKCMEQZWJDKWQG-UHFFFAOYSA-N 1 2 237.303 0.706 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cncc(OC)c1C ZINC000639096972 353495046 /nfs/dbraw/zinc/49/50/46/353495046.db2.gz HKCMEQZWJDKWQG-UHFFFAOYSA-N 1 2 237.303 0.706 20 0 BCADLO CCCCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000060894813 353500595 /nfs/dbraw/zinc/50/05/95/353500595.db2.gz TUEWHSAIGZPDFU-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(N)=O ZINC000192682398 353563323 /nfs/dbraw/zinc/56/33/23/353563323.db2.gz YLNZDVZHPAFICJ-BQBZGAKWSA-N 1 2 240.307 0.892 20 0 BCADLO Cc1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000231779713 353652059 /nfs/dbraw/zinc/65/20/59/353652059.db2.gz UCEKFPAVAXZGMM-UHFFFAOYSA-N 1 2 203.192 0.825 20 0 BCADLO Cn1nnc(C[N@H+](C)[C@@H](CO)C(C)(C)C)n1 ZINC000194449860 353663068 /nfs/dbraw/zinc/66/30/68/353663068.db2.gz BXLOQZMELZXBQI-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)n1 ZINC000194449860 353663070 /nfs/dbraw/zinc/66/30/70/353663070.db2.gz BXLOQZMELZXBQI-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO CC(C)(NC(=O)C1CC(C)(O)C1)c1[nH]cc[nH+]1 ZINC000577879650 366094994 /nfs/dbraw/zinc/09/49/94/366094994.db2.gz JYCTZDJCPVLLHA-UHFFFAOYSA-N 1 2 237.303 0.922 20 0 BCADLO O=C(CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000366819503 353672636 /nfs/dbraw/zinc/67/26/36/353672636.db2.gz GLTGQNLQAZKEBG-SECBINFHSA-N 1 2 247.298 0.925 20 0 BCADLO O=C(CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C1CC1 ZINC000366819503 353672640 /nfs/dbraw/zinc/67/26/40/353672640.db2.gz GLTGQNLQAZKEBG-SECBINFHSA-N 1 2 247.298 0.925 20 0 BCADLO CO[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000577911714 366100852 /nfs/dbraw/zinc/10/08/52/366100852.db2.gz CHDGKVLHMRKWIA-NXEZZACHSA-N 1 2 237.303 0.813 20 0 BCADLO CCn1cc[nH+]c1CN1CCC[C@@H]1C(=O)NC ZINC000195515157 353765765 /nfs/dbraw/zinc/76/57/65/353765765.db2.gz BZCZFCPICJBEGA-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000195515157 353765770 /nfs/dbraw/zinc/76/57/70/353765770.db2.gz BZCZFCPICJBEGA-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000195515157 353765772 /nfs/dbraw/zinc/76/57/72/353765772.db2.gz BZCZFCPICJBEGA-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccc1)[C@@H]1CCNC1=O ZINC000178291212 366111761 /nfs/dbraw/zinc/11/17/61/366111761.db2.gz KLXRLBBGJALKPD-LLVKDONJSA-N 1 2 247.298 0.445 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccc1)[C@@H]1CCNC1=O ZINC000178291212 366111766 /nfs/dbraw/zinc/11/17/66/366111766.db2.gz KLXRLBBGJALKPD-LLVKDONJSA-N 1 2 247.298 0.445 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC1COC1 ZINC000529045336 324238105 /nfs/dbraw/zinc/23/81/05/324238105.db2.gz ZTORWPNYSVIDQF-UHFFFAOYSA-N 1 2 221.260 0.580 20 0 BCADLO Fc1cccnc1NCC[NH+]1CCOCC1 ZINC000054700534 181015421 /nfs/dbraw/zinc/01/54/21/181015421.db2.gz MNTGVEOUULADJG-UHFFFAOYSA-N 1 2 225.267 0.965 20 0 BCADLO Fc1cnc(NCC[NH+]2CCOCC2)nc1 ZINC000158584041 181018750 /nfs/dbraw/zinc/01/87/50/181018750.db2.gz YEWFSDWGPQBOTA-UHFFFAOYSA-N 1 2 226.255 0.360 20 0 BCADLO C[C@H](O)C[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CO ZINC000190839109 353795029 /nfs/dbraw/zinc/79/50/29/353795029.db2.gz BFRSOTPTUAWOOE-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@H](O)C[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CO ZINC000190839109 353795031 /nfs/dbraw/zinc/79/50/31/353795031.db2.gz BFRSOTPTUAWOOE-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)c1ncc[nH]1 ZINC000343550979 353919660 /nfs/dbraw/zinc/91/96/60/353919660.db2.gz MZJGJPRCZJNHMX-UHFFFAOYSA-N 1 2 226.261 0.117 20 0 BCADLO Cc1nc(N2CC(F)C2)nc(N(C)C)[nH+]1 ZINC000343504668 353920775 /nfs/dbraw/zinc/92/07/75/353920775.db2.gz GNCKTPVYYAFTOF-UHFFFAOYSA-N 1 2 211.244 0.404 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(F)C2)[nH+]1 ZINC000343504668 353920776 /nfs/dbraw/zinc/92/07/76/353920776.db2.gz GNCKTPVYYAFTOF-UHFFFAOYSA-N 1 2 211.244 0.404 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000343524081 353927443 /nfs/dbraw/zinc/92/74/43/353927443.db2.gz IIFSNZPHQWOBLW-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000343524081 353927445 /nfs/dbraw/zinc/92/74/45/353927445.db2.gz IIFSNZPHQWOBLW-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334551947 353992619 /nfs/dbraw/zinc/99/26/19/353992619.db2.gz CBIWMHHURMSSBB-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334551947 353992621 /nfs/dbraw/zinc/99/26/21/353992621.db2.gz CBIWMHHURMSSBB-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CCN2CCNC2=O)CCN1C ZINC000343712913 353956339 /nfs/dbraw/zinc/95/63/39/353956339.db2.gz NPRYOLAGEKZOQZ-QWRGUYRKSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CCN2CCNC2=O)CCN1C ZINC000343712913 353956340 /nfs/dbraw/zinc/95/63/40/353956340.db2.gz NPRYOLAGEKZOQZ-QWRGUYRKSA-N 1 2 240.351 0.036 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ncccc1O ZINC000343845191 354020855 /nfs/dbraw/zinc/02/08/55/354020855.db2.gz AXVPKGACJGPPDE-UHFFFAOYSA-N 1 2 232.243 1.000 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(O)C1 ZINC000343845956 354021117 /nfs/dbraw/zinc/02/11/17/354021117.db2.gz CGHXRLBLRZCIRL-LLVKDONJSA-N 1 2 223.276 0.244 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@H]1Cc1ccccc1 ZINC000343923758 354043290 /nfs/dbraw/zinc/04/32/90/354043290.db2.gz LDUWEKHVYHGULV-LBPRGKRZSA-N 1 2 234.299 0.022 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@H]1Cc1ccccc1 ZINC000343923758 354043292 /nfs/dbraw/zinc/04/32/92/354043292.db2.gz LDUWEKHVYHGULV-LBPRGKRZSA-N 1 2 234.299 0.022 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)CCC(N)=O)[nH+]1 ZINC000343910057 354037596 /nfs/dbraw/zinc/03/75/96/354037596.db2.gz CIHYJRDHGBPFCB-UHFFFAOYSA-N 1 2 233.275 0.578 20 0 BCADLO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ncc(C)n2C)C1 ZINC000343992335 354063439 /nfs/dbraw/zinc/06/34/39/354063439.db2.gz WPIRKIVTQQWBKG-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@@H]1C[C@H](CO)[N@@H+](Cc2ncc(C)n2C)C1 ZINC000343992335 354063443 /nfs/dbraw/zinc/06/34/43/354063443.db2.gz WPIRKIVTQQWBKG-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@@H]1C[C@H](CO)N(Cc2[nH+]cc(C)n2C)C1 ZINC000343992335 354063445 /nfs/dbraw/zinc/06/34/45/354063445.db2.gz WPIRKIVTQQWBKG-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO CC(C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000230100463 363297759 /nfs/dbraw/zinc/29/77/59/363297759.db2.gz JJXNMVTYCDOVIK-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOC(C)C)C1CC1 ZINC000230696857 363320902 /nfs/dbraw/zinc/32/09/02/363320902.db2.gz BGIVRKQMPAJCLH-JTQLQIEISA-N 1 2 215.293 0.953 20 0 BCADLO CC1(C)CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000334568446 354092217 /nfs/dbraw/zinc/09/22/17/354092217.db2.gz FTPPQRNEYXAUHK-VIFPVBQESA-N 1 2 223.276 0.984 20 0 BCADLO CC1(C)CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000334568446 354092219 /nfs/dbraw/zinc/09/22/19/354092219.db2.gz FTPPQRNEYXAUHK-VIFPVBQESA-N 1 2 223.276 0.984 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCc1cccnc1 ZINC000344010062 354115680 /nfs/dbraw/zinc/11/56/80/354115680.db2.gz FCHDWIVJJKMTHB-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO Cc1cncc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000334579505 354127325 /nfs/dbraw/zinc/12/73/25/354127325.db2.gz UWOMWYHHUAOTBK-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000334579505 354127326 /nfs/dbraw/zinc/12/73/26/354127326.db2.gz UWOMWYHHUAOTBK-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C1CC1 ZINC000344215964 354166823 /nfs/dbraw/zinc/16/68/23/354166823.db2.gz IEOFHOZHYVCLQJ-JTQLQIEISA-N 1 2 223.276 0.148 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](O)C1CC1 ZINC000344215964 354166825 /nfs/dbraw/zinc/16/68/25/354166825.db2.gz IEOFHOZHYVCLQJ-JTQLQIEISA-N 1 2 223.276 0.148 20 0 BCADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127258 354146473 /nfs/dbraw/zinc/14/64/73/354146473.db2.gz JIJNENVVQXERSX-YUMQZZPRSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127258 354146476 /nfs/dbraw/zinc/14/64/76/354146476.db2.gz JIJNENVVQXERSX-YUMQZZPRSA-N 1 2 226.280 0.103 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000449660802 201999021 /nfs/dbraw/zinc/99/90/21/201999021.db2.gz GWBMNXIAVZNKFM-DTWKUNHWSA-N 1 2 201.266 0.705 20 0 BCADLO COC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000230942328 363331028 /nfs/dbraw/zinc/33/10/28/363331028.db2.gz WNXATROYGIAEBL-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO COC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000230942364 363331108 /nfs/dbraw/zinc/33/11/08/363331108.db2.gz BGLCBAPAHMZPDE-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO COC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000230942364 363331113 /nfs/dbraw/zinc/33/11/13/363331113.db2.gz BGLCBAPAHMZPDE-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)[nH]1 ZINC000344155640 354157932 /nfs/dbraw/zinc/15/79/32/354157932.db2.gz VMQXOSCTRMEKNM-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](CO)C[C@H]2C)[nH]1 ZINC000344155640 354157935 /nfs/dbraw/zinc/15/79/35/354157935.db2.gz VMQXOSCTRMEKNM-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)n(C)n1 ZINC000334597611 354232083 /nfs/dbraw/zinc/23/20/83/354232083.db2.gz JSGQGCXFBAREAA-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)n(C)n1 ZINC000334597611 354232085 /nfs/dbraw/zinc/23/20/85/354232085.db2.gz JSGQGCXFBAREAA-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](F)C[C@H]2C(N)=O)n1C ZINC000344509252 354291642 /nfs/dbraw/zinc/29/16/42/354291642.db2.gz GQCUFIGWHCMBRY-IUCAKERBSA-N 1 2 240.282 0.126 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H](O)C1 ZINC000334613988 354298979 /nfs/dbraw/zinc/29/89/79/354298979.db2.gz SGGLRNSOJJWKRF-RKDXNWHRSA-N 1 2 223.276 0.577 20 0 BCADLO COC[C@H]([NH2+]Cc1cnnn1C)c1ccco1 ZINC000344770270 354359077 /nfs/dbraw/zinc/35/90/77/354359077.db2.gz KMNVGQDKDUAQSW-JTQLQIEISA-N 1 2 236.275 0.885 20 0 BCADLO CC=CC[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000349265195 366170978 /nfs/dbraw/zinc/17/09/78/366170978.db2.gz BUKSEDNIBAQOTP-PBKGFPTLSA-N 1 2 248.286 0.770 20 0 BCADLO O=C1N[C@H](CC2CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000349272529 366172224 /nfs/dbraw/zinc/17/22/24/366172224.db2.gz KNTAJZRXASXKGN-SNVBAGLBSA-N 1 2 248.286 0.604 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1C(F)F ZINC000345019921 354397084 /nfs/dbraw/zinc/39/70/84/354397084.db2.gz TZUQXHYVNYSPST-RNFRBKRXSA-N 1 2 244.245 0.873 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)[C@@H](C)N(C)C1=O ZINC000349314522 366175809 /nfs/dbraw/zinc/17/58/09/366175809.db2.gz DWEJRICERBZLPA-MRVPVSSYSA-N 1 2 249.270 0.873 20 0 BCADLO CO[C@@H](C)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000349666710 366211038 /nfs/dbraw/zinc/21/10/38/366211038.db2.gz BQOKKWKXMWSABL-IUCAKERBSA-N 1 2 240.307 0.695 20 0 BCADLO CO[C@@H](C)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000349666710 366211045 /nfs/dbraw/zinc/21/10/45/366211045.db2.gz BQOKKWKXMWSABL-IUCAKERBSA-N 1 2 240.307 0.695 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000179157050 366213641 /nfs/dbraw/zinc/21/36/41/366213641.db2.gz RWKDLAYFNRRKRK-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000179157050 366213646 /nfs/dbraw/zinc/21/36/46/366213646.db2.gz RWKDLAYFNRRKRK-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC000179122089 366207259 /nfs/dbraw/zinc/20/72/59/366207259.db2.gz YUXFJXPCWAHMSO-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC000179122089 366207261 /nfs/dbraw/zinc/20/72/61/366207261.db2.gz YUXFJXPCWAHMSO-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000345033215 354440867 /nfs/dbraw/zinc/44/08/67/354440867.db2.gz FNVDPBUSWQSEFK-QMMMGPOBSA-N 1 2 223.276 0.145 20 0 BCADLO CCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000334736997 354538476 /nfs/dbraw/zinc/53/84/76/354538476.db2.gz OQPWJTSQRXJVNJ-VIFPVBQESA-N 1 2 236.319 0.748 20 0 BCADLO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000334736997 354538478 /nfs/dbraw/zinc/53/84/78/354538478.db2.gz OQPWJTSQRXJVNJ-VIFPVBQESA-N 1 2 236.319 0.748 20 0 BCADLO C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)[C@@H]1C ZINC000334707293 354500989 /nfs/dbraw/zinc/50/09/89/354500989.db2.gz ZQGNSQAXUYPXLJ-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334720797 354520873 /nfs/dbraw/zinc/52/08/73/354520873.db2.gz ZXEHXOHQHLDJKP-BDAKNGLRSA-N 1 2 249.270 0.034 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H](C)CO)C(=O)OC ZINC000120996310 354639122 /nfs/dbraw/zinc/63/91/22/354639122.db2.gz VWGGAJYDLRUKLY-MWLCHTKSSA-N 1 2 217.309 0.936 20 0 BCADLO Cn1nccc1C(=O)NCCn1cc[nH+]c1 ZINC000345368843 354639487 /nfs/dbraw/zinc/63/94/87/354639487.db2.gz CPKZPJAUXWEXRK-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO Cn1ccc(CNC(=O)NCCn2cc[nH+]c2)n1 ZINC000345412134 354651905 /nfs/dbraw/zinc/65/19/05/354651905.db2.gz WJDUJAAUIYENHL-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO CO[C@@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345416894 354652860 /nfs/dbraw/zinc/65/28/60/354652860.db2.gz QIBRQCZUKAGZJH-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC1 ZINC000345420460 354653211 /nfs/dbraw/zinc/65/32/11/354653211.db2.gz VONJGOSKKAZFAN-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO c1[nH]c2ncncc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000639202400 354608259 /nfs/dbraw/zinc/60/82/59/354608259.db2.gz YXCNHGOCVDISEL-MNOVXSKESA-N 1 2 230.271 0.883 20 0 BCADLO c1[nH]c2ncncc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000639202400 354608261 /nfs/dbraw/zinc/60/82/61/354608261.db2.gz YXCNHGOCVDISEL-MNOVXSKESA-N 1 2 230.271 0.883 20 0 BCADLO C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CCC[N@@H+]1C ZINC000345321752 354609806 /nfs/dbraw/zinc/60/98/06/354609806.db2.gz ORFQFBYKAWFXNO-YUMQZZPRSA-N 1 2 223.280 0.017 20 0 BCADLO C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CCC[N@H+]1C ZINC000345321752 354609809 /nfs/dbraw/zinc/60/98/09/354609809.db2.gz ORFQFBYKAWFXNO-YUMQZZPRSA-N 1 2 223.280 0.017 20 0 BCADLO NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345679950 354730960 /nfs/dbraw/zinc/73/09/60/354730960.db2.gz DUDKOMLGCMSQOF-SECBINFHSA-N 1 2 207.233 0.613 20 0 BCADLO CCC1CN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000335110425 354696803 /nfs/dbraw/zinc/69/68/03/354696803.db2.gz AIECUFMHPKLEQJ-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H](O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000345586191 354706827 /nfs/dbraw/zinc/70/68/27/354706827.db2.gz NPEUZRNKAXULLL-SECBINFHSA-N 1 2 223.276 0.427 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccncc1 ZINC000345639218 354721932 /nfs/dbraw/zinc/72/19/32/354721932.db2.gz IORMYGGUOUNVMF-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccncc1 ZINC000345639218 354721935 /nfs/dbraw/zinc/72/19/35/354721935.db2.gz IORMYGGUOUNVMF-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345647361 354736279 /nfs/dbraw/zinc/73/62/79/354736279.db2.gz WPBOGWITDUKBON-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO C[C@H]1CCN(C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000345701887 354738570 /nfs/dbraw/zinc/73/85/70/354738570.db2.gz XSFLGFPRVYMZIK-IUCAKERBSA-N 1 2 208.265 0.845 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nc(CCOC)no1 ZINC000345882129 354796163 /nfs/dbraw/zinc/79/61/63/354796163.db2.gz IGCUKZVHPMZODF-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(CCOC)no1 ZINC000345882129 354796167 /nfs/dbraw/zinc/79/61/67/354796167.db2.gz IGCUKZVHPMZODF-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000234118505 363415505 /nfs/dbraw/zinc/41/55/05/363415505.db2.gz ZEMBNXCSNRWMKK-JTQLQIEISA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000234118505 363415511 /nfs/dbraw/zinc/41/55/11/363415511.db2.gz ZEMBNXCSNRWMKK-JTQLQIEISA-N 1 2 211.265 0.841 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)O ZINC000345993125 354835364 /nfs/dbraw/zinc/83/53/64/354835364.db2.gz ZSORPEXKDAFOIQ-VIFPVBQESA-N 1 2 225.292 0.536 20 0 BCADLO O=C(NCCc1ccc[nH]1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000366926465 354835524 /nfs/dbraw/zinc/83/55/24/354835524.db2.gz QUTXGOBPJSSPMV-SECBINFHSA-N 1 2 243.257 0.671 20 0 BCADLO CCC[N@H+](C)CC(=O)N1CCc2[nH]nnc2C1 ZINC000346071425 354856380 /nfs/dbraw/zinc/85/63/80/354856380.db2.gz MYVVZCBCLLUXTJ-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO CCC[N@@H+](C)CC(=O)N1CCc2[nH]nnc2C1 ZINC000346071425 354856383 /nfs/dbraw/zinc/85/63/83/354856383.db2.gz MYVVZCBCLLUXTJ-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO COc1ncccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000346370825 354901916 /nfs/dbraw/zinc/90/19/16/354901916.db2.gz QEHIQSYKOCEHMR-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COc1ncccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000346370825 354901920 /nfs/dbraw/zinc/90/19/20/354901920.db2.gz QEHIQSYKOCEHMR-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(=O)[nH]c1 ZINC000346386841 354906948 /nfs/dbraw/zinc/90/69/48/354906948.db2.gz YSLRTBGPECDWMH-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000234852204 363432788 /nfs/dbraw/zinc/43/27/88/363432788.db2.gz NFTOSZFHKNSSRE-SNVBAGLBSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000234852204 363432794 /nfs/dbraw/zinc/43/27/94/363432794.db2.gz NFTOSZFHKNSSRE-SNVBAGLBSA-N 1 2 222.288 0.929 20 0 BCADLO COc1cc(C)[nH+]c([C@H]2NC(=O)CN2C)c1 ZINC000346253169 354880733 /nfs/dbraw/zinc/88/07/33/354880733.db2.gz GJPBZXSJGSGZTN-NSHDSACASA-N 1 2 221.260 0.459 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOCC(F)F ZINC000346423046 354924900 /nfs/dbraw/zinc/92/49/00/354924900.db2.gz CFGSYWMMDXXCKZ-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOCC(F)F ZINC000346423046 354924903 /nfs/dbraw/zinc/92/49/03/354924903.db2.gz CFGSYWMMDXXCKZ-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346498763 354960448 /nfs/dbraw/zinc/96/04/48/354960448.db2.gz XAMDXSSMJFWQCF-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346498763 354960450 /nfs/dbraw/zinc/96/04/50/354960450.db2.gz XAMDXSSMJFWQCF-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNC(=O)CC(N)=O ZINC000346496670 354960501 /nfs/dbraw/zinc/96/05/01/354960501.db2.gz MVHGURXGDBOWBM-UHFFFAOYSA-N 1 2 238.291 0.031 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346498766 354960566 /nfs/dbraw/zinc/96/05/66/354960566.db2.gz XAMDXSSMJFWQCF-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346498766 354960568 /nfs/dbraw/zinc/96/05/68/354960568.db2.gz XAMDXSSMJFWQCF-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC(F)C1 ZINC000335173656 354939730 /nfs/dbraw/zinc/93/97/30/354939730.db2.gz YNMMMFQLLFLPFO-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC(F)C1 ZINC000335173656 354939733 /nfs/dbraw/zinc/93/97/33/354939733.db2.gz YNMMMFQLLFLPFO-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO O=C1N=NC2C[N@H+](CCCCF)CCN12 ZINC000351986283 134025878 /nfs/dbraw/zinc/02/58/78/134025878.db2.gz HJTQHFQBVFMATH-UHFFFAOYSA-N 1 2 214.244 0.549 20 0 BCADLO O=C1N=NC2C[N@@H+](CCCCF)CCN12 ZINC000351986283 134025879 /nfs/dbraw/zinc/02/58/79/134025879.db2.gz HJTQHFQBVFMATH-UHFFFAOYSA-N 1 2 214.244 0.549 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC[C@@H]2CCCO2)CCOC1 ZINC000346576618 354999344 /nfs/dbraw/zinc/99/93/44/354999344.db2.gz SNSZTSNGJGWLQP-CMPLNLGQSA-N 1 2 243.303 0.477 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346663509 355005658 /nfs/dbraw/zinc/00/56/58/355005658.db2.gz YHDMZWLSZUWNQT-QMMMGPOBSA-N 1 2 244.245 0.646 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ncnn2C)[C@H]1C ZINC000346678343 355009895 /nfs/dbraw/zinc/00/98/95/355009895.db2.gz YMYJFWSJXOCIAU-IUCAKERBSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncnn2C)[C@H]1C ZINC000346678343 355009897 /nfs/dbraw/zinc/00/98/97/355009897.db2.gz YMYJFWSJXOCIAU-IUCAKERBSA-N 1 2 238.291 0.199 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335192521 355025727 /nfs/dbraw/zinc/02/57/27/355025727.db2.gz JGAXJLSCZJNRQV-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335192521 355025729 /nfs/dbraw/zinc/02/57/29/355025729.db2.gz JGAXJLSCZJNRQV-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCCO[C@H](C)C1 ZINC000346859200 355118760 /nfs/dbraw/zinc/11/87/60/355118760.db2.gz WMRKUYCCMCFYOD-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCCO[C@H](C)C1 ZINC000346859200 355118761 /nfs/dbraw/zinc/11/87/61/355118761.db2.gz WMRKUYCCMCFYOD-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC(=O)N1CCC1 ZINC000335188023 355086890 /nfs/dbraw/zinc/08/68/90/355086890.db2.gz CLQDYTKPSGGQEL-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC(=O)N1CCC1 ZINC000335188023 355086891 /nfs/dbraw/zinc/08/68/91/355086891.db2.gz CLQDYTKPSGGQEL-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335187757 355087028 /nfs/dbraw/zinc/08/70/28/355087028.db2.gz ZBUSYNUDSXHWHG-ABKXIKBNSA-N 1 2 241.360 0.919 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335187757 355087033 /nfs/dbraw/zinc/08/70/33/355087033.db2.gz ZBUSYNUDSXHWHG-ABKXIKBNSA-N 1 2 241.360 0.919 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N2CCC2)CCN1C ZINC000335188018 355087377 /nfs/dbraw/zinc/08/73/77/355087377.db2.gz CLQDYTKPSGGQEL-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N2CCC2)CCN1C ZINC000335188018 355087381 /nfs/dbraw/zinc/08/73/81/355087381.db2.gz CLQDYTKPSGGQEL-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000346832248 355129763 /nfs/dbraw/zinc/12/97/63/355129763.db2.gz YWJCVGBYSPJGTC-SECBINFHSA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000346832248 355129766 /nfs/dbraw/zinc/12/97/66/355129766.db2.gz YWJCVGBYSPJGTC-SECBINFHSA-N 1 2 225.292 0.538 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@@H]1CCCO1 ZINC000346838979 355132520 /nfs/dbraw/zinc/13/25/20/355132520.db2.gz FYSHGJLAISXEHB-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000346838979 355132524 /nfs/dbraw/zinc/13/25/24/355132524.db2.gz FYSHGJLAISXEHB-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000346841999 355133498 /nfs/dbraw/zinc/13/34/98/355133498.db2.gz USTUTKDIQZPFHI-BDAKNGLRSA-N 1 2 238.291 0.371 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000346841999 355133501 /nfs/dbraw/zinc/13/35/01/355133501.db2.gz USTUTKDIQZPFHI-BDAKNGLRSA-N 1 2 238.291 0.371 20 0 BCADLO COc1cncc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000639233138 355214973 /nfs/dbraw/zinc/21/49/73/355214973.db2.gz WMSDSRAMXUQZMT-LLVKDONJSA-N 1 2 249.314 0.848 20 0 BCADLO COc1cncc(C[N@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000639233138 355214976 /nfs/dbraw/zinc/21/49/76/355214976.db2.gz WMSDSRAMXUQZMT-LLVKDONJSA-N 1 2 249.314 0.848 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@@H]1C(N)=O ZINC000639232455 355215297 /nfs/dbraw/zinc/21/52/97/355215297.db2.gz ISSFNYVYJBVZKI-MNOVXSKESA-N 1 2 248.330 0.821 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@@H]1C(N)=O ZINC000639232455 355215299 /nfs/dbraw/zinc/21/52/99/355215299.db2.gz ISSFNYVYJBVZKI-MNOVXSKESA-N 1 2 248.330 0.821 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCn1cncn1 ZINC000346994952 355193802 /nfs/dbraw/zinc/19/38/02/355193802.db2.gz KXCPRVGOTPSYEP-UHFFFAOYSA-N 1 2 226.280 0.162 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCn1cncn1 ZINC000346994952 355193804 /nfs/dbraw/zinc/19/38/04/355193804.db2.gz KXCPRVGOTPSYEP-UHFFFAOYSA-N 1 2 226.280 0.162 20 0 BCADLO C[C@@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259808 355199747 /nfs/dbraw/zinc/19/97/47/355199747.db2.gz UZWJNAGALNKQKE-JJOYANBFSA-N 1 2 238.331 0.848 20 0 BCADLO C[C@@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259808 355199751 /nfs/dbraw/zinc/19/97/51/355199751.db2.gz UZWJNAGALNKQKE-JJOYANBFSA-N 1 2 238.331 0.848 20 0 BCADLO CCOC1CC(C[NH+]2CC(S(C)(=O)=O)C2)C1 ZINC000639243316 355229267 /nfs/dbraw/zinc/22/92/67/355229267.db2.gz GFZCOBTVARAQIE-UHFFFAOYSA-N 1 2 247.360 0.530 20 0 BCADLO CN(C)C(=O)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413024404 191343611 /nfs/dbraw/zinc/34/36/11/191343611.db2.gz DJEZMUONINRWGP-UHFFFAOYSA-N 1 2 249.318 0.575 20 0 BCADLO CN(C)C(=O)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413024404 191343613 /nfs/dbraw/zinc/34/36/13/191343613.db2.gz DJEZMUONINRWGP-UHFFFAOYSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1nncn1C ZINC000347633202 355242008 /nfs/dbraw/zinc/24/20/08/355242008.db2.gz CIPVMQHIDQGOLH-UHFFFAOYSA-N 1 2 239.323 0.162 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1nncn1C ZINC000347633202 355242011 /nfs/dbraw/zinc/24/20/11/355242011.db2.gz CIPVMQHIDQGOLH-UHFFFAOYSA-N 1 2 239.323 0.162 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000413491999 191388489 /nfs/dbraw/zinc/38/84/89/191388489.db2.gz IRBCLJMKSVFWRV-ZJUUUORDSA-N 1 2 225.292 0.719 20 0 BCADLO CCCN(CC(N)=O)c1cc(NC2CC2)[nH+]cn1 ZINC000413300228 191370706 /nfs/dbraw/zinc/37/07/06/191370706.db2.gz JEWQOKAFGHXWON-UHFFFAOYSA-N 1 2 249.318 0.753 20 0 BCADLO CCCN(CC(N)=O)c1cc(NC2CC2)nc[nH+]1 ZINC000413300228 191370709 /nfs/dbraw/zinc/37/07/09/191370709.db2.gz JEWQOKAFGHXWON-UHFFFAOYSA-N 1 2 249.318 0.753 20 0 BCADLO Cn1nc2c(c1C[NH+]1CC(C)(O)C1)CCCC2 ZINC000639253281 355290154 /nfs/dbraw/zinc/29/01/54/355290154.db2.gz CORIRHMDMIHSTR-UHFFFAOYSA-N 1 2 235.331 0.866 20 0 BCADLO COCCc1ncc(C[NH+]2CC(C)(O)C2)s1 ZINC000639253403 355290813 /nfs/dbraw/zinc/29/08/13/355290813.db2.gz FKWGGXFMJMYRQC-UHFFFAOYSA-N 1 2 242.344 0.899 20 0 BCADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC(C)(O)C1 ZINC000639253623 355291680 /nfs/dbraw/zinc/29/16/80/355291680.db2.gz LKCMLBMODAGVML-SNVBAGLBSA-N 1 2 221.304 0.938 20 0 BCADLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1O ZINC000639253610 355291809 /nfs/dbraw/zinc/29/18/09/355291809.db2.gz CHKOYHUGZQBMLH-UHFFFAOYSA-N 1 2 223.272 0.967 20 0 BCADLO CC1(O)C[NH+](Cc2cccc3c2OCO3)C1 ZINC000639254561 355295539 /nfs/dbraw/zinc/29/55/39/355295539.db2.gz ZSKDJKAAWZHFAI-UHFFFAOYSA-N 1 2 221.256 0.982 20 0 BCADLO CC1(O)C[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000639254526 355295588 /nfs/dbraw/zinc/29/55/88/355295588.db2.gz YHICLGWMPREZAZ-UHFFFAOYSA-N 1 2 244.298 0.834 20 0 BCADLO COCCN1C(=O)C2(CC2)[NH2+][C@H]1C1CC1 ZINC000414202598 191460413 /nfs/dbraw/zinc/46/04/13/191460413.db2.gz NCESPACYDHOBMG-SECBINFHSA-N 1 2 210.277 0.333 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccon1 ZINC000349239147 355374304 /nfs/dbraw/zinc/37/43/04/355374304.db2.gz KXSAQGBDYGPNCK-SECBINFHSA-N 1 2 239.275 0.184 20 0 BCADLO COc1ncc(C[NH+]2CC(C)(C(N)=O)C2)s1 ZINC000639283745 355381601 /nfs/dbraw/zinc/38/16/01/355381601.db2.gz XRGRWYRFFWHTCK-UHFFFAOYSA-N 1 2 241.316 0.459 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1ccns1 ZINC000639285018 355388534 /nfs/dbraw/zinc/38/85/34/355388534.db2.gz HIKJOEIZBBRDLY-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1ccns1 ZINC000639285018 355388537 /nfs/dbraw/zinc/38/85/37/355388537.db2.gz HIKJOEIZBBRDLY-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275627 355352786 /nfs/dbraw/zinc/35/27/86/355352786.db2.gz UXKNSKRNCASRPT-KOLCDFICSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275627 355352789 /nfs/dbraw/zinc/35/27/89/355352789.db2.gz UXKNSKRNCASRPT-KOLCDFICSA-N 1 2 238.287 0.369 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C(=O)c1ccccc1 ZINC000349692029 355412522 /nfs/dbraw/zinc/41/25/22/355412522.db2.gz JKPMQTHHPXLQRN-UHFFFAOYSA-N 1 2 229.239 0.909 20 0 BCADLO CC(=O)N1CCCN(Cc2c[nH+]cn2C)CC1 ZINC000349745973 355422585 /nfs/dbraw/zinc/42/25/85/355422585.db2.gz FEQKWVSPXQITRW-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cc1ccnc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000349747778 355422612 /nfs/dbraw/zinc/42/26/12/355422612.db2.gz QXURTVQWVQVUSA-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)O)CCC2 ZINC000335784589 355433199 /nfs/dbraw/zinc/43/31/99/355433199.db2.gz JXGFSMWCBIKCHO-UWVGGRQHSA-N 1 2 237.303 0.566 20 0 BCADLO CC[C@H]1C[NH+](CC(N)=O)C[C@H](CC)O1 ZINC000398609662 355395192 /nfs/dbraw/zinc/39/51/92/355395192.db2.gz YFTZHUPXVLEKNJ-IUCAKERBSA-N 1 2 200.282 0.361 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000335815267 355504620 /nfs/dbraw/zinc/50/46/20/355504620.db2.gz XPLCAPMIGDVMIH-JTQLQIEISA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000335815267 355504621 /nfs/dbraw/zinc/50/46/21/355504621.db2.gz XPLCAPMIGDVMIH-JTQLQIEISA-N 1 2 222.292 0.347 20 0 BCADLO COCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349852725 355483258 /nfs/dbraw/zinc/48/32/58/355483258.db2.gz QJLBTZMOZKMYJE-VIFPVBQESA-N 1 2 241.291 0.998 20 0 BCADLO COCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349852725 355483260 /nfs/dbraw/zinc/48/32/60/355483260.db2.gz QJLBTZMOZKMYJE-VIFPVBQESA-N 1 2 241.291 0.998 20 0 BCADLO C[N@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCNC1=O ZINC000335821421 355540390 /nfs/dbraw/zinc/54/03/90/355540390.db2.gz ICEQDYOALQCNTG-LLVKDONJSA-N 1 2 238.262 0.852 20 0 BCADLO C[N@@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCNC1=O ZINC000335821421 355540393 /nfs/dbraw/zinc/54/03/93/355540393.db2.gz ICEQDYOALQCNTG-LLVKDONJSA-N 1 2 238.262 0.852 20 0 BCADLO CO[C@](C)(C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000639295563 355583044 /nfs/dbraw/zinc/58/30/44/355583044.db2.gz KKRDYIZBGRLXCJ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@](C)(C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000639295563 355583046 /nfs/dbraw/zinc/58/30/46/355583046.db2.gz KKRDYIZBGRLXCJ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000335849115 355593170 /nfs/dbraw/zinc/59/31/70/355593170.db2.gz MWXRROSMVRMOPO-JTQLQIEISA-N 1 2 247.298 0.619 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000367103832 355654719 /nfs/dbraw/zinc/65/47/19/355654719.db2.gz SIMABHOEAKMPCJ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000367103832 355654723 /nfs/dbraw/zinc/65/47/23/355654723.db2.gz SIMABHOEAKMPCJ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO Cc1nccc(C[N@H+](C)CC(=O)NC2CC2)n1 ZINC000350314938 355671183 /nfs/dbraw/zinc/67/11/83/355671183.db2.gz QSKACEXZUKYDEL-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@@H+](C)CC(=O)NC2CC2)n1 ZINC000350314938 355671186 /nfs/dbraw/zinc/67/11/86/355671186.db2.gz QSKACEXZUKYDEL-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO NC(=O)N=c1[nH]c(C[NH+]2CCOCC2)cs1 ZINC000330656753 181204393 /nfs/dbraw/zinc/20/43/93/181204393.db2.gz QVKLTFRQQOJARQ-UHFFFAOYSA-N 1 2 242.304 0.880 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)NCCn1cc[nH+]c1 ZINC000335871061 355637984 /nfs/dbraw/zinc/63/79/84/355637984.db2.gz MESSAENIGIPCOQ-ZJUUUORDSA-N 1 2 238.291 0.048 20 0 BCADLO Cc1c[nH]c(CN2Cc3cnn(C)c3C2)[nH+]1 ZINC000639320680 355721620 /nfs/dbraw/zinc/72/16/20/355721620.db2.gz GRXPBUMMXPTDSZ-UHFFFAOYSA-N 1 2 217.276 0.967 20 0 BCADLO Cn1cc[nH+]c1CN1Cc2cnn(C)c2C1 ZINC000639321672 355723190 /nfs/dbraw/zinc/72/31/90/355723190.db2.gz XUCFEMHKUMQZGE-UHFFFAOYSA-N 1 2 217.276 0.669 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCCNC1=O ZINC000335885065 355675791 /nfs/dbraw/zinc/67/57/91/355675791.db2.gz FZXCECUSDLMDHZ-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccon1 ZINC000335888399 355680549 /nfs/dbraw/zinc/68/05/49/355680549.db2.gz RUKSTVJLLCXJIG-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccon1 ZINC000335888399 355680551 /nfs/dbraw/zinc/68/05/51/355680551.db2.gz RUKSTVJLLCXJIG-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO Cc1nc(N(C)CCCCO)nc(N(C)C)[nH+]1 ZINC000350724892 355749295 /nfs/dbraw/zinc/74/92/95/355749295.db2.gz PWLODLRYDJXYGF-UHFFFAOYSA-N 1 2 239.323 0.455 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CCCCO)[nH+]1 ZINC000350724892 355749299 /nfs/dbraw/zinc/74/92/99/355749299.db2.gz PWLODLRYDJXYGF-UHFFFAOYSA-N 1 2 239.323 0.455 20 0 BCADLO Cc1cc(N2CCS(=O)CC2)nc[nH+]1 ZINC000350738647 355753512 /nfs/dbraw/zinc/75/35/12/355753512.db2.gz YGUAVZYIFVEYIM-UHFFFAOYSA-N 1 2 211.290 0.354 20 0 BCADLO CO[C@]1(C[N@H+](C)Cc2noc(C)n2)CCOC1 ZINC000639333388 355762180 /nfs/dbraw/zinc/76/21/80/355762180.db2.gz WPPIYIDPNSBPJW-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@]1(C[N@@H+](C)Cc2noc(C)n2)CCOC1 ZINC000639333388 355762182 /nfs/dbraw/zinc/76/21/82/355762182.db2.gz WPPIYIDPNSBPJW-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO Cc1occc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639333264 355762878 /nfs/dbraw/zinc/76/28/78/355762878.db2.gz GWJGNTJTUHKKPV-GFCCVEGCSA-N 1 2 224.304 0.696 20 0 BCADLO Cc1occc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639333264 355762880 /nfs/dbraw/zinc/76/28/80/355762880.db2.gz GWJGNTJTUHKKPV-GFCCVEGCSA-N 1 2 224.304 0.696 20 0 BCADLO C[N@@H+]1CCN(Cc2ccns2)[C@H](CO)C1 ZINC000639335160 355767808 /nfs/dbraw/zinc/76/78/08/355767808.db2.gz ZFBOBARSOXOIAR-VIFPVBQESA-N 1 2 227.333 0.251 20 0 BCADLO C[N@H+]1CCN(Cc2ccns2)[C@H](CO)C1 ZINC000639335160 355767810 /nfs/dbraw/zinc/76/78/10/355767810.db2.gz ZFBOBARSOXOIAR-VIFPVBQESA-N 1 2 227.333 0.251 20 0 BCADLO O=C(NC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022278 134056024 /nfs/dbraw/zinc/05/60/24/134056024.db2.gz KOMXNNZDUOITLQ-QMMMGPOBSA-N 1 2 220.276 0.729 20 0 BCADLO O=C(NC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022278 134056025 /nfs/dbraw/zinc/05/60/25/134056025.db2.gz KOMXNNZDUOITLQ-QMMMGPOBSA-N 1 2 220.276 0.729 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CC[C@@H](C)O)no1 ZINC000425413190 191847120 /nfs/dbraw/zinc/84/71/20/191847120.db2.gz GLQNZIPLRGDJTH-SSDOTTSWSA-N 1 2 213.281 0.974 20 0 BCADLO O=C(NCC(F)F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336024397 134057013 /nfs/dbraw/zinc/05/70/13/134057013.db2.gz JBJBMIPMEQGEDM-LURJTMIESA-N 1 2 244.245 0.831 20 0 BCADLO O=C(NCC(F)F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336024397 134057014 /nfs/dbraw/zinc/05/70/14/134057014.db2.gz JBJBMIPMEQGEDM-LURJTMIESA-N 1 2 244.245 0.831 20 0 BCADLO O=C([C@H]1CCSC1)N1CCn2c[nH+]cc2C1 ZINC000336025379 134057027 /nfs/dbraw/zinc/05/70/27/134057027.db2.gz XVUIWQRZVWZWOQ-VIFPVBQESA-N 1 2 237.328 0.978 20 0 BCADLO C[C@H]([NH2+]Cc1c[nH]nn1)C1CCOCC1 ZINC000628363263 355847324 /nfs/dbraw/zinc/84/73/24/355847324.db2.gz DGRLHQQQUPXUKD-QMMMGPOBSA-N 1 2 210.281 0.709 20 0 BCADLO C[C@H]([NH2+]Cc1cn[nH]n1)C1CCOCC1 ZINC000628363263 355847326 /nfs/dbraw/zinc/84/73/26/355847326.db2.gz DGRLHQQQUPXUKD-QMMMGPOBSA-N 1 2 210.281 0.709 20 0 BCADLO CCO[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623254260 355852865 /nfs/dbraw/zinc/85/28/65/355852865.db2.gz SHYWZAQHMZXAQN-JQWIXIFHSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(COCC(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254085 355852877 /nfs/dbraw/zinc/85/28/77/355852877.db2.gz HATBFSGGGITBIK-SSDOTTSWSA-N 1 2 245.229 0.206 20 0 BCADLO COC1CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623254326 355853130 /nfs/dbraw/zinc/85/31/30/355853130.db2.gz YCWRZYWIVSBIJK-YUCVTWSNSA-N 1 2 235.287 0.349 20 0 BCADLO COc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)co1 ZINC000623254180 355853137 /nfs/dbraw/zinc/85/31/37/355853137.db2.gz MZBHKKSBAAGPKR-SSDOTTSWSA-N 1 2 248.242 0.234 20 0 BCADLO COc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000623255264 355856393 /nfs/dbraw/zinc/85/63/93/355856393.db2.gz XYFUYCXYTNLFQS-MRVPVSSYSA-N 1 2 247.254 0.839 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CC2 ZINC000623255452 355860168 /nfs/dbraw/zinc/86/01/68/355860168.db2.gz ILAIFVPLFNBGTD-SCZZXKLOSA-N 1 2 217.272 0.724 20 0 BCADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1(F)F ZINC000623255764 355861581 /nfs/dbraw/zinc/86/15/81/355861581.db2.gz UAKHVSROJJXGBI-OIBJUYFYSA-N 1 2 241.241 0.969 20 0 BCADLO COC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255872 355861861 /nfs/dbraw/zinc/86/18/61/355861861.db2.gz ZAOQNIKYVPWJLM-MRVPVSSYSA-N 1 2 221.260 0.103 20 0 BCADLO C[N@H+](Cc1cocn1)[C@]1(CO)CCOC1 ZINC000628367697 355862283 /nfs/dbraw/zinc/86/22/83/355862283.db2.gz NOQIKDOXSGXUHO-JTQLQIEISA-N 1 2 212.249 0.258 20 0 BCADLO C[N@@H+](Cc1cocn1)[C@]1(CO)CCOC1 ZINC000628367697 355862287 /nfs/dbraw/zinc/86/22/87/355862287.db2.gz NOQIKDOXSGXUHO-JTQLQIEISA-N 1 2 212.249 0.258 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000336034272 134058946 /nfs/dbraw/zinc/05/89/46/134058946.db2.gz XVAXFWLYAFIPSV-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000336034272 134058947 /nfs/dbraw/zinc/05/89/47/134058947.db2.gz XVAXFWLYAFIPSV-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000336034273 134059273 /nfs/dbraw/zinc/05/92/73/134059273.db2.gz XVAXFWLYAFIPSV-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000336034273 134059274 /nfs/dbraw/zinc/05/92/74/134059274.db2.gz XVAXFWLYAFIPSV-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000336054257 134066031 /nfs/dbraw/zinc/06/60/31/134066031.db2.gz VAWDARUTWIYWSV-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000336054257 134066032 /nfs/dbraw/zinc/06/60/32/134066032.db2.gz VAWDARUTWIYWSV-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000336054258 134066101 /nfs/dbraw/zinc/06/61/01/134066101.db2.gz VAWDARUTWIYWSV-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000336054258 134066102 /nfs/dbraw/zinc/06/61/02/134066102.db2.gz VAWDARUTWIYWSV-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO NC(=O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000354031077 181219451 /nfs/dbraw/zinc/21/94/51/181219451.db2.gz BYZCNYRLZBQTJF-UHFFFAOYSA-N 1 2 244.254 0.686 20 0 BCADLO CCN1CC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329537020 355928790 /nfs/dbraw/zinc/92/87/90/355928790.db2.gz BJIHFSBYWNRQPT-MRVPVSSYSA-N 1 2 248.286 0.551 20 0 BCADLO CCN1CC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329537020 355928797 /nfs/dbraw/zinc/92/87/97/355928797.db2.gz BJIHFSBYWNRQPT-MRVPVSSYSA-N 1 2 248.286 0.551 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ccnc(C(N)=O)c1 ZINC000428119010 191924467 /nfs/dbraw/zinc/92/44/67/191924467.db2.gz HFZBKELYBUWYRF-UHFFFAOYSA-N 1 2 231.259 0.540 20 0 BCADLO CCOCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000309065925 355989908 /nfs/dbraw/zinc/98/99/08/355989908.db2.gz ZJLWIICXEYXENJ-LLVKDONJSA-N 1 2 215.293 0.954 20 0 BCADLO C[C@H]([NH2+]Cc1ncnn1C)[C@H](O)C(F)(F)F ZINC000639387025 355993953 /nfs/dbraw/zinc/99/39/53/355993953.db2.gz MNWYILVFCZVWGE-FSPLSTOPSA-N 1 2 238.213 0.216 20 0 BCADLO Cc1ccnc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000351510897 356007036 /nfs/dbraw/zinc/00/70/36/356007036.db2.gz AJMRXVNHPKWKFW-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccsn1 ZINC000623256454 355948659 /nfs/dbraw/zinc/94/86/59/355948659.db2.gz LUGFTGKGOSXRNK-ZETCQYMHSA-N 1 2 234.284 0.694 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C)c1cccc(C#N)c1 ZINC000389298069 355952603 /nfs/dbraw/zinc/95/26/03/355952603.db2.gz AQFHPWZZEXKVPG-SECBINFHSA-N 1 2 242.286 0.933 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351138907 355953015 /nfs/dbraw/zinc/95/30/15/355953015.db2.gz DUZOHFAMGZSDMJ-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351138907 355953018 /nfs/dbraw/zinc/95/30/18/355953018.db2.gz DUZOHFAMGZSDMJ-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC1(O)CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623256535 355960080 /nfs/dbraw/zinc/96/00/80/355960080.db2.gz PJHUBTWNTZITPS-NBBOBHDQSA-N 1 2 235.287 0.085 20 0 BCADLO CCc1nnc(C[NH2+][C@@](C)(CC)C(N)=O)n1C ZINC000351269265 355969386 /nfs/dbraw/zinc/96/93/86/355969386.db2.gz LVJKBZXLJUHXEL-NSHDSACASA-N 1 2 239.323 0.121 20 0 BCADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623256767 355972909 /nfs/dbraw/zinc/97/29/09/355972909.db2.gz USVLIRGNJUQAMZ-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1C ZINC000351632135 356037441 /nfs/dbraw/zinc/03/74/41/356037441.db2.gz WBPURXQJVDJORY-APPZFPTMSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1C ZINC000351632135 356037445 /nfs/dbraw/zinc/03/74/45/356037445.db2.gz WBPURXQJVDJORY-APPZFPTMSA-N 1 2 239.275 0.761 20 0 BCADLO CC[C@H](O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257439 356038596 /nfs/dbraw/zinc/03/85/96/356038596.db2.gz KCIZFAUJRPVSMK-SCZZXKLOSA-N 1 2 223.276 0.085 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@H](C)[C@@H](C)O1 ZINC000351645739 356043371 /nfs/dbraw/zinc/04/33/71/356043371.db2.gz DWEVRAHYNGCKDD-OPRDCNLKSA-N 1 2 224.308 0.813 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@H](C)[C@@H](C)O1 ZINC000351645739 356043374 /nfs/dbraw/zinc/04/33/74/356043374.db2.gz DWEVRAHYNGCKDD-OPRDCNLKSA-N 1 2 224.308 0.813 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000351647707 356043944 /nfs/dbraw/zinc/04/39/44/356043944.db2.gz JMQUAFYOTJWXNV-OYNCUSHFSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000351647707 356043947 /nfs/dbraw/zinc/04/39/47/356043947.db2.gz JMQUAFYOTJWXNV-OYNCUSHFSA-N 1 2 225.292 0.999 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(C)o1 ZINC000184652049 491086627 /nfs/dbraw/zinc/08/66/27/491086627.db2.gz OLZMFNWUBFDMCS-BDAKNGLRSA-N 1 2 226.276 0.739 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285470648 181231891 /nfs/dbraw/zinc/23/18/91/181231891.db2.gz UYEZQWKFJCAQAM-SECBINFHSA-N 1 2 208.265 0.422 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285470648 181231892 /nfs/dbraw/zinc/23/18/92/181231892.db2.gz UYEZQWKFJCAQAM-SECBINFHSA-N 1 2 208.265 0.422 20 0 BCADLO COCCc1nc(C[NH2+][C@@H](CO)C(C)C)no1 ZINC000351591563 356023593 /nfs/dbraw/zinc/02/35/93/356023593.db2.gz FQQPJBJJBBJWHA-VIFPVBQESA-N 1 2 243.307 0.365 20 0 BCADLO COCCc1nc(C[NH2+][C@H](CO)C(C)C)no1 ZINC000351591562 356023954 /nfs/dbraw/zinc/02/39/54/356023954.db2.gz FQQPJBJJBBJWHA-SECBINFHSA-N 1 2 243.307 0.365 20 0 BCADLO NC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893336 181232463 /nfs/dbraw/zinc/23/24/63/181232463.db2.gz GYDTYDKMBKMFGB-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO NC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893336 181232465 /nfs/dbraw/zinc/23/24/65/181232465.db2.gz GYDTYDKMBKMFGB-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H]1C1CC1 ZINC000623257034 356025393 /nfs/dbraw/zinc/02/53/93/356025393.db2.gz AKWBHCSSSJUFGE-WCQGTBRESA-N 1 2 231.299 0.970 20 0 BCADLO Cc1c[nH]c(CN2CCSC[C@H]2CO)[nH+]1 ZINC000639397813 356113029 /nfs/dbraw/zinc/11/30/29/356113029.db2.gz SUNMREHLPIJTPW-SECBINFHSA-N 1 2 227.333 0.628 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cn1 ZINC000351718404 356069392 /nfs/dbraw/zinc/06/93/92/356069392.db2.gz JJAPITNASYMIQD-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cn1 ZINC000351718404 356069395 /nfs/dbraw/zinc/06/93/95/356069395.db2.gz JJAPITNASYMIQD-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623258909 356086662 /nfs/dbraw/zinc/08/66/62/356086662.db2.gz JRFXAHBJXQIHKM-XNDJQWLSSA-N 1 2 249.314 0.738 20 0 BCADLO Cc1ccnc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623259790 356091752 /nfs/dbraw/zinc/09/17/52/356091752.db2.gz KYWZSMPWWHKYPE-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO Cc1[nH]c(CN2CCSC[C@@H]2CO)[nH+]c1C ZINC000639396623 356103197 /nfs/dbraw/zinc/10/31/97/356103197.db2.gz JVEROHSBJLGQBU-JTQLQIEISA-N 1 2 241.360 0.936 20 0 BCADLO CCc1nnc(C[N@@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000329993559 356157389 /nfs/dbraw/zinc/15/73/89/356157389.db2.gz LMLNGZMLPJEDDZ-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO CCc1nnc(C[N@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000329993559 356157391 /nfs/dbraw/zinc/15/73/91/356157391.db2.gz LMLNGZMLPJEDDZ-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO NC(=O)NC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000151999927 181254164 /nfs/dbraw/zinc/25/41/64/181254164.db2.gz OGTZRHVCVYLHJV-UHFFFAOYSA-N 1 2 249.274 0.351 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCOC1 ZINC000623262261 356164014 /nfs/dbraw/zinc/16/40/14/356164014.db2.gz VGMOQOVKICVHFS-JOYOIKCWSA-N 1 2 235.287 0.351 20 0 BCADLO COCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623262915 356172777 /nfs/dbraw/zinc/17/27/77/356172777.db2.gz VPMJOYHTKJTDKN-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@H](O)C1 ZINC000351901680 356173060 /nfs/dbraw/zinc/17/30/60/356173060.db2.gz HSUAEHFXOFAQIY-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@H](O)C1 ZINC000351901680 356173065 /nfs/dbraw/zinc/17/30/65/356173065.db2.gz HSUAEHFXOFAQIY-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000602772268 491087873 /nfs/dbraw/zinc/08/78/73/491087873.db2.gz LWEDNRJXGWPPHN-JTQLQIEISA-N 1 2 225.292 0.427 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@H]1C(=O)OC ZINC000602772268 491087874 /nfs/dbraw/zinc/08/78/74/491087874.db2.gz LWEDNRJXGWPPHN-JTQLQIEISA-N 1 2 225.292 0.427 20 0 BCADLO CC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000639442792 356220548 /nfs/dbraw/zinc/22/05/48/356220548.db2.gz REUOJRISFHKMLZ-UHFFFAOYSA-N 1 2 222.288 0.986 20 0 BCADLO Cc1cc(C)c(C[N@H+](C)CC(N)=O)c(C)n1 ZINC000639450814 356235810 /nfs/dbraw/zinc/23/58/10/356235810.db2.gz BDJKFGXNGLSNEF-UHFFFAOYSA-N 1 2 221.304 0.924 20 0 BCADLO Cc1cc(C)c(C[N@@H+](C)CC(N)=O)c(C)n1 ZINC000639450814 356235813 /nfs/dbraw/zinc/23/58/13/356235813.db2.gz BDJKFGXNGLSNEF-UHFFFAOYSA-N 1 2 221.304 0.924 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)C2)[nH]1 ZINC000332666012 356225486 /nfs/dbraw/zinc/22/54/86/356225486.db2.gz PDSPSMFFLGFISV-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](OC)C2)[nH]1 ZINC000332666012 356225488 /nfs/dbraw/zinc/22/54/88/356225488.db2.gz PDSPSMFFLGFISV-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374159227 192015373 /nfs/dbraw/zinc/01/53/73/192015373.db2.gz LVTHFVACNOGSQM-FXAINCCUSA-N 1 2 248.330 0.817 20 0 BCADLO CCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336099495 134081346 /nfs/dbraw/zinc/08/13/46/134081346.db2.gz ZYWNSQILMVSYNL-SECBINFHSA-N 1 2 243.332 0.527 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263687 356201546 /nfs/dbraw/zinc/20/15/46/356201546.db2.gz UHKUUZSWPIEHCF-ONGXEEELSA-N 1 2 237.303 0.475 20 0 BCADLO CN1CC(=O)N[C@@H]1c1cccc2[nH+]ccn21 ZINC000639413096 356202630 /nfs/dbraw/zinc/20/26/30/356202630.db2.gz LYNYIWKVQBZJMM-NSHDSACASA-N 1 2 216.244 0.395 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331658230 356202740 /nfs/dbraw/zinc/20/27/40/356202740.db2.gz PURVFUKPEABEAR-SECBINFHSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331658230 356202744 /nfs/dbraw/zinc/20/27/44/356202744.db2.gz PURVFUKPEABEAR-SECBINFHSA-N 1 2 224.308 0.714 20 0 BCADLO COCCN1C(=O)C2(CC2)N[C@@H]1c1c[nH]c[nH+]1 ZINC000639425706 356206565 /nfs/dbraw/zinc/20/65/65/356206565.db2.gz AQNWJVRVVLVWGX-VIFPVBQESA-N 1 2 236.275 0.019 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639473249 356266095 /nfs/dbraw/zinc/26/60/95/356266095.db2.gz XEJSGXYZDYXLPS-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639473249 356266099 /nfs/dbraw/zinc/26/60/99/356266099.db2.gz XEJSGXYZDYXLPS-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000639484058 356299877 /nfs/dbraw/zinc/29/98/77/356299877.db2.gz YOBDKQMKMQKCNB-SFYZADRCSA-N 1 2 225.210 0.963 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000639484058 356299880 /nfs/dbraw/zinc/29/98/80/356299880.db2.gz YOBDKQMKMQKCNB-SFYZADRCSA-N 1 2 225.210 0.963 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724982 356301502 /nfs/dbraw/zinc/30/15/02/356301502.db2.gz FPTNBGZBJILIJA-DDHJBXDOSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724982 356301506 /nfs/dbraw/zinc/30/15/06/356301506.db2.gz FPTNBGZBJILIJA-DDHJBXDOSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(C)(C)C[NH3+] ZINC000420289988 192201176 /nfs/dbraw/zinc/20/11/76/192201176.db2.gz LAWUTOYIFHBOMN-LBPRGKRZSA-N 1 2 243.395 0.624 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCc3ccccc3C2)nc1=O ZINC000336120495 134091116 /nfs/dbraw/zinc/09/11/16/134091116.db2.gz CVGIXAMMIRBONR-UHFFFAOYSA-N 1 2 244.298 0.667 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCc3ccccc3C2)nc1=O ZINC000336120495 134091117 /nfs/dbraw/zinc/09/11/17/134091117.db2.gz CVGIXAMMIRBONR-UHFFFAOYSA-N 1 2 244.298 0.667 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639494529 356319675 /nfs/dbraw/zinc/31/96/75/356319675.db2.gz ITGJOKWGZNBVGO-JTQLQIEISA-N 1 2 237.303 0.836 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639494529 356319678 /nfs/dbraw/zinc/31/96/78/356319678.db2.gz ITGJOKWGZNBVGO-JTQLQIEISA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000639510318 356342987 /nfs/dbraw/zinc/34/29/87/356342987.db2.gz APXAFUDMNWCENX-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000639510318 356342988 /nfs/dbraw/zinc/34/29/88/356342988.db2.gz APXAFUDMNWCENX-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO O=C1C[N@H+](CCc2cnccn2)CCN1C1CC1 ZINC000639512628 356349477 /nfs/dbraw/zinc/34/94/77/356349477.db2.gz WRWBZXMMMHXRAW-UHFFFAOYSA-N 1 2 246.314 0.326 20 0 BCADLO O=C1C[N@@H+](CCc2cnccn2)CCN1C1CC1 ZINC000639512628 356349481 /nfs/dbraw/zinc/34/94/81/356349481.db2.gz WRWBZXMMMHXRAW-UHFFFAOYSA-N 1 2 246.314 0.326 20 0 BCADLO CC(=O)N1CC[N@H+](CCc2cnccn2)[C@@H](C)C1 ZINC000639517940 356360196 /nfs/dbraw/zinc/36/01/96/356360196.db2.gz TXTCAIQKBKDEQG-NSHDSACASA-N 1 2 248.330 0.572 20 0 BCADLO CC(=O)N1CC[N@@H+](CCc2cnccn2)[C@@H](C)C1 ZINC000639517940 356360199 /nfs/dbraw/zinc/36/01/99/356360199.db2.gz TXTCAIQKBKDEQG-NSHDSACASA-N 1 2 248.330 0.572 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000639518006 356360331 /nfs/dbraw/zinc/36/03/31/356360331.db2.gz VTPOEZYSOBBGKJ-SNVBAGLBSA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000639518006 356360334 /nfs/dbraw/zinc/36/03/34/356360334.db2.gz VTPOEZYSOBBGKJ-SNVBAGLBSA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000639518006 356360337 /nfs/dbraw/zinc/36/03/37/356360337.db2.gz VTPOEZYSOBBGKJ-SNVBAGLBSA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000639518006 356360340 /nfs/dbraw/zinc/36/03/40/356360340.db2.gz VTPOEZYSOBBGKJ-SNVBAGLBSA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)N1CC[N@H+](CCc2cnccn2)[C@H](C)C1 ZINC000639517939 356360444 /nfs/dbraw/zinc/36/04/44/356360444.db2.gz TXTCAIQKBKDEQG-LLVKDONJSA-N 1 2 248.330 0.572 20 0 BCADLO CC(=O)N1CC[N@@H+](CCc2cnccn2)[C@H](C)C1 ZINC000639517939 356360447 /nfs/dbraw/zinc/36/04/47/356360447.db2.gz TXTCAIQKBKDEQG-LLVKDONJSA-N 1 2 248.330 0.572 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000051102643 181271767 /nfs/dbraw/zinc/27/17/67/181271767.db2.gz PJFCKXQVDFUYIY-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000051102643 181271770 /nfs/dbraw/zinc/27/17/70/181271770.db2.gz PJFCKXQVDFUYIY-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO C[C@H](OCC1CC1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270992 356385957 /nfs/dbraw/zinc/38/59/57/356385957.db2.gz PXHVTXRZKAAKJL-ONGXEEELSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000355943293 181272640 /nfs/dbraw/zinc/27/26/40/181272640.db2.gz QVMRGYQHRFDWFS-ISUDXETCSA-N 1 2 247.298 0.281 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000355943293 181272642 /nfs/dbraw/zinc/27/26/42/181272642.db2.gz QVMRGYQHRFDWFS-ISUDXETCSA-N 1 2 247.298 0.281 20 0 BCADLO CCOCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623272818 356396377 /nfs/dbraw/zinc/39/63/77/356396377.db2.gz CNSILWYWODWMFA-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)C[C@@H](C)O ZINC000352194118 134098302 /nfs/dbraw/zinc/09/83/02/134098302.db2.gz HYHXKDNNUFCZNE-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)C[C@@H](C)O ZINC000352194118 134098303 /nfs/dbraw/zinc/09/83/03/134098303.db2.gz HYHXKDNNUFCZNE-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO COCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269452 356370610 /nfs/dbraw/zinc/37/06/10/356370610.db2.gz KBSJSOIFKNFRBY-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO Cn1cccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623277016 356418015 /nfs/dbraw/zinc/41/80/15/356418015.db2.gz PSULDEAOSBFJAK-SECBINFHSA-N 1 2 230.271 0.576 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccon1 ZINC000368962919 181273779 /nfs/dbraw/zinc/27/37/79/181273779.db2.gz FSCRGACEWQAYSZ-IEBDPFPHSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccon1 ZINC000368962919 181273780 /nfs/dbraw/zinc/27/37/80/181273780.db2.gz FSCRGACEWQAYSZ-IEBDPFPHSA-N 1 2 235.287 0.760 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623273742 356403076 /nfs/dbraw/zinc/40/30/76/356403076.db2.gz XSXCSOLBFMEYBU-BDAKNGLRSA-N 1 2 223.276 0.349 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCc1cccnc1 ZINC000285515962 181273907 /nfs/dbraw/zinc/27/39/07/181273907.db2.gz PZLILXHHURZMMQ-MNOVXSKESA-N 1 2 237.278 0.522 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCc1cccnc1 ZINC000285515962 181273908 /nfs/dbraw/zinc/27/39/08/181273908.db2.gz PZLILXHHURZMMQ-MNOVXSKESA-N 1 2 237.278 0.522 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000352688607 356404123 /nfs/dbraw/zinc/40/41/23/356404123.db2.gz BQRONEPDENZOGK-RKDXNWHRSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000352688607 356404125 /nfs/dbraw/zinc/40/41/25/356404125.db2.gz BQRONEPDENZOGK-RKDXNWHRSA-N 1 2 224.308 0.712 20 0 BCADLO CC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000639553320 356454398 /nfs/dbraw/zinc/45/43/98/356454398.db2.gz CLLIRZOGKPDONC-UHFFFAOYSA-N 1 2 220.263 0.848 20 0 BCADLO CC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000639553320 356454401 /nfs/dbraw/zinc/45/44/01/356454401.db2.gz CLLIRZOGKPDONC-UHFFFAOYSA-N 1 2 220.263 0.848 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000368966161 181276068 /nfs/dbraw/zinc/27/60/68/181276068.db2.gz NHYBNIZGLVSSOT-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000368966161 181276071 /nfs/dbraw/zinc/27/60/71/181276071.db2.gz NHYBNIZGLVSSOT-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000190109791 356432971 /nfs/dbraw/zinc/43/29/71/356432971.db2.gz NQDXTVHDXZFHCX-KOLCDFICSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000190109791 356432975 /nfs/dbraw/zinc/43/29/75/356432975.db2.gz NQDXTVHDXZFHCX-KOLCDFICSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000190537258 356447822 /nfs/dbraw/zinc/44/78/22/356447822.db2.gz VYMWIOCSPIGWBL-ZJUUUORDSA-N 1 2 217.334 0.618 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CO ZINC000336162098 134111424 /nfs/dbraw/zinc/11/14/24/134111424.db2.gz VWHREPKLUMYYER-BDAKNGLRSA-N 1 2 213.256 0.325 20 0 BCADLO CC[C@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000420793651 192260851 /nfs/dbraw/zinc/26/08/51/192260851.db2.gz LBOHHDPPFIPAQO-QWRGUYRKSA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000420793651 192260854 /nfs/dbraw/zinc/26/08/54/192260854.db2.gz LBOHHDPPFIPAQO-QWRGUYRKSA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000420793652 192261020 /nfs/dbraw/zinc/26/10/20/192261020.db2.gz LBOHHDPPFIPAQO-WDEREUQCSA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000420793652 192261023 /nfs/dbraw/zinc/26/10/23/192261023.db2.gz LBOHHDPPFIPAQO-WDEREUQCSA-N 1 2 243.351 0.662 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(=O)[nH]c1 ZINC000623282207 356467785 /nfs/dbraw/zinc/46/77/85/356467785.db2.gz PKLXZTSQIXXGKD-VIFPVBQESA-N 1 2 244.254 0.338 20 0 BCADLO NC(=O)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110541386 181283200 /nfs/dbraw/zinc/28/32/00/181283200.db2.gz JUFVXFRHDAYNAJ-VIFPVBQESA-N 1 2 232.287 0.666 20 0 BCADLO CCCCC[N@H+](CC(C)=O)CC(N)=O ZINC000639574861 356497356 /nfs/dbraw/zinc/49/73/56/356497356.db2.gz VXQWKLGIDFMSII-UHFFFAOYSA-N 1 2 200.282 0.553 20 0 BCADLO CCCCC[N@@H+](CC(C)=O)CC(N)=O ZINC000639574861 356497361 /nfs/dbraw/zinc/49/73/61/356497361.db2.gz VXQWKLGIDFMSII-UHFFFAOYSA-N 1 2 200.282 0.553 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420971806 192286105 /nfs/dbraw/zinc/28/61/05/192286105.db2.gz KXEYPPNJMMTZIM-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420971806 192286106 /nfs/dbraw/zinc/28/61/06/192286106.db2.gz KXEYPPNJMMTZIM-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO CC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000639621786 356541336 /nfs/dbraw/zinc/54/13/36/356541336.db2.gz WGPPTERONZAPLE-UHFFFAOYSA-N 1 2 222.288 0.855 20 0 BCADLO CC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000639621786 356541338 /nfs/dbraw/zinc/54/13/38/356541338.db2.gz WGPPTERONZAPLE-UHFFFAOYSA-N 1 2 222.288 0.855 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000639622254 356541743 /nfs/dbraw/zinc/54/17/43/356541743.db2.gz ZECVAIGRSFCGGK-MNOVXSKESA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000639622254 356541745 /nfs/dbraw/zinc/54/17/45/356541745.db2.gz ZECVAIGRSFCGGK-MNOVXSKESA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000639623025 356542414 /nfs/dbraw/zinc/54/24/14/356542414.db2.gz HEDNNCMUGNGUDF-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000639623025 356542418 /nfs/dbraw/zinc/54/24/18/356542418.db2.gz HEDNNCMUGNGUDF-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297725 356550387 /nfs/dbraw/zinc/55/03/87/356550387.db2.gz LWZZAFUVSKBJJA-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@H]1CN(CCO)CC[N@@H+]1Cc1cccn1C ZINC000449786637 202038949 /nfs/dbraw/zinc/03/89/49/202038949.db2.gz PCHQUKPEXDTTSL-LBPRGKRZSA-N 1 2 237.347 0.524 20 0 BCADLO C[C@H]1CN(CCO)CC[N@H+]1Cc1cccn1C ZINC000449786637 202038954 /nfs/dbraw/zinc/03/89/54/202038954.db2.gz PCHQUKPEXDTTSL-LBPRGKRZSA-N 1 2 237.347 0.524 20 0 BCADLO CC1(O)CC(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623299173 356556621 /nfs/dbraw/zinc/55/66/21/356556621.db2.gz RVQIAVRWVQLDRT-QUNCOHTASA-N 1 2 249.314 0.475 20 0 BCADLO O=C(C[N@@H+]1CC[C@]12CCOC2)NC1CCCC1 ZINC000421024056 192306708 /nfs/dbraw/zinc/30/67/08/192306708.db2.gz BXNMALONGFOUIO-CYBMUJFWSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[N@H+]1CC[C@]12CCOC2)NC1CCCC1 ZINC000421024056 192306711 /nfs/dbraw/zinc/30/67/11/192306711.db2.gz BXNMALONGFOUIO-CYBMUJFWSA-N 1 2 238.331 0.910 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299776 356559421 /nfs/dbraw/zinc/55/94/21/356559421.db2.gz CRGCCFCMYAIWIM-GWCFXTLKSA-N 1 2 249.314 0.475 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421032945 192308654 /nfs/dbraw/zinc/30/86/54/192308654.db2.gz MLYIBZJJBLYHSE-LBPRGKRZSA-N 1 2 226.320 0.768 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421032945 192308656 /nfs/dbraw/zinc/30/86/56/192308656.db2.gz MLYIBZJJBLYHSE-LBPRGKRZSA-N 1 2 226.320 0.768 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421029215 192309965 /nfs/dbraw/zinc/30/99/65/192309965.db2.gz IMCTYYFHZAQYGZ-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421029215 192309967 /nfs/dbraw/zinc/30/99/67/192309967.db2.gz IMCTYYFHZAQYGZ-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000421081012 192311939 /nfs/dbraw/zinc/31/19/39/192311939.db2.gz FXCHJOYBLCHRJR-JTQLQIEISA-N 1 2 223.276 0.704 20 0 BCADLO CC(=O)CN1C[C@@H](C)[N@@H+](CC(C)=O)CC1(C)C ZINC000639660831 356569211 /nfs/dbraw/zinc/56/92/11/356569211.db2.gz XIOOFGDKHLLDDZ-SNVBAGLBSA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1C[C@@H](C)[N@H+](CC(C)=O)CC1(C)C ZINC000639660831 356569214 /nfs/dbraw/zinc/56/92/14/356569214.db2.gz XIOOFGDKHLLDDZ-SNVBAGLBSA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1CC(C)(C)[N@@H+](CC(C)=O)C[C@H]1C ZINC000639660831 356569218 /nfs/dbraw/zinc/56/92/18/356569218.db2.gz XIOOFGDKHLLDDZ-SNVBAGLBSA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1CC(C)(C)[N@H+](CC(C)=O)C[C@H]1C ZINC000639660831 356569222 /nfs/dbraw/zinc/56/92/22/356569222.db2.gz XIOOFGDKHLLDDZ-SNVBAGLBSA-N 1 2 240.347 0.949 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000336210562 134134253 /nfs/dbraw/zinc/13/42/53/134134253.db2.gz KPCYFJCXIDFWIS-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000336210562 134134254 /nfs/dbraw/zinc/13/42/54/134134254.db2.gz KPCYFJCXIDFWIS-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO O=C(COC(F)F)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301912 356577717 /nfs/dbraw/zinc/57/77/17/356577717.db2.gz WEQFEAOFEWSCGK-SSDOTTSWSA-N 1 2 245.229 0.553 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)co1 ZINC000623304045 356594243 /nfs/dbraw/zinc/59/42/43/356594243.db2.gz PPJILBSIPYZHCU-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cnc[nH]1 ZINC000623304035 356594365 /nfs/dbraw/zinc/59/43/65/356594365.db2.gz PNTXDOOCXBOBEH-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000631996453 363505342 /nfs/dbraw/zinc/50/53/42/363505342.db2.gz COAVNGUXGDRTEW-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000631996453 363505348 /nfs/dbraw/zinc/50/53/48/363505348.db2.gz COAVNGUXGDRTEW-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccon1 ZINC000623302929 356584867 /nfs/dbraw/zinc/58/48/67/356584867.db2.gz SDKZAYNNPJYOKW-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc[nH]c1 ZINC000623304574 356597374 /nfs/dbraw/zinc/59/73/74/356597374.db2.gz APGPUSIMIFQFQT-JTQLQIEISA-N 1 2 230.271 0.956 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cc(CO)ccn1 ZINC000630093138 363521868 /nfs/dbraw/zinc/52/18/68/363521868.db2.gz IVAQIWQRWUBOTE-LLVKDONJSA-N 1 2 237.303 0.316 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cc(CO)ccn1 ZINC000630093138 363521871 /nfs/dbraw/zinc/52/18/71/363521871.db2.gz IVAQIWQRWUBOTE-LLVKDONJSA-N 1 2 237.303 0.316 20 0 BCADLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000450221858 202101429 /nfs/dbraw/zinc/10/14/29/202101429.db2.gz XAYDLUYXIBOXGT-AAEUAGOBSA-N 1 2 248.326 0.583 20 0 BCADLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000450221858 202101431 /nfs/dbraw/zinc/10/14/31/202101431.db2.gz XAYDLUYXIBOXGT-AAEUAGOBSA-N 1 2 248.326 0.583 20 0 BCADLO CC[N@@H+]1[C@H](C)CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000639744054 356636787 /nfs/dbraw/zinc/63/67/87/356636787.db2.gz YSQCUXYSJLEUFM-DTORHVGOSA-N 1 2 239.323 0.425 20 0 BCADLO CC1(C)CO[C@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000639747480 356641931 /nfs/dbraw/zinc/64/19/31/356641931.db2.gz BNVSJZQSQRXJDC-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO CC1(C)CO[C@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000639747480 356641933 /nfs/dbraw/zinc/64/19/33/356641933.db2.gz BNVSJZQSQRXJDC-NSHDSACASA-N 1 2 236.319 0.909 20 0 BCADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1(CO)CC1 ZINC000617897857 356662304 /nfs/dbraw/zinc/66/23/04/356662304.db2.gz VJFGXUKSYCHQGI-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO CNc1nc(NCC[C@@H](C)O)[nH+]c2ccccc21 ZINC000450330578 202130867 /nfs/dbraw/zinc/13/08/67/202130867.db2.gz JMQJVLSQZLUTHE-SECBINFHSA-N 1 2 246.314 0.698 20 0 BCADLO Cn1nccc1Cc1noc(C[NH+](C)C)n1 ZINC000350644572 366314796 /nfs/dbraw/zinc/31/47/96/366314796.db2.gz ONDKUDDXHICMHA-UHFFFAOYSA-N 1 2 221.264 0.456 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1COCCO1 ZINC000450346716 202137398 /nfs/dbraw/zinc/13/73/98/202137398.db2.gz HPBCNEQQELAKKP-VIFPVBQESA-N 1 2 231.292 0.333 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054104256 363560385 /nfs/dbraw/zinc/56/03/85/363560385.db2.gz OSELATFAGZOJRS-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054104256 363560391 /nfs/dbraw/zinc/56/03/91/363560391.db2.gz OSELATFAGZOJRS-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1CF ZINC000578165185 366348082 /nfs/dbraw/zinc/34/80/82/366348082.db2.gz XEFPYRTWDLRGCV-SECBINFHSA-N 1 2 211.240 0.844 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000054172574 363563977 /nfs/dbraw/zinc/56/39/77/363563977.db2.gz ZKNAYWVFVKALDR-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000054172574 363563983 /nfs/dbraw/zinc/56/39/83/363563983.db2.gz ZKNAYWVFVKALDR-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172112 363564414 /nfs/dbraw/zinc/56/44/14/363564414.db2.gz LNNIUUCTGIZYHI-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172112 363564416 /nfs/dbraw/zinc/56/44/16/363564416.db2.gz LNNIUUCTGIZYHI-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](C)OC)[nH]1 ZINC000353216778 356708616 /nfs/dbraw/zinc/70/86/16/356708616.db2.gz GEBYHQGUWCAOKW-QMMMGPOBSA-N 1 2 212.297 0.834 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](C)OC)[nH]1 ZINC000353216778 356708617 /nfs/dbraw/zinc/70/86/17/356708617.db2.gz GEBYHQGUWCAOKW-QMMMGPOBSA-N 1 2 212.297 0.834 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](C)CO)C(C)(C)C ZINC000121491346 356718614 /nfs/dbraw/zinc/71/86/14/356718614.db2.gz UGDKZIYLXYGPRV-IUCAKERBSA-N 1 2 217.309 0.792 20 0 BCADLO CC(=O)C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000639771950 356711488 /nfs/dbraw/zinc/71/14/88/356711488.db2.gz ISILUNPEKUDPJO-SNVBAGLBSA-N 1 2 239.319 0.658 20 0 BCADLO CCc1nnc(C[N@H+](C)CC2(O)CCC2)[nH]1 ZINC000354932256 356745818 /nfs/dbraw/zinc/74/58/18/356745818.db2.gz QWOGIJJQGGCSCB-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC2(O)CCC2)[nH]1 ZINC000354932256 356745822 /nfs/dbraw/zinc/74/58/22/356745822.db2.gz QWOGIJJQGGCSCB-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CCO[C@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000623344465 356747784 /nfs/dbraw/zinc/74/77/84/356747784.db2.gz NVRQDPSFLWUSOB-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO COCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345096 356748418 /nfs/dbraw/zinc/74/84/18/356748418.db2.gz QPJSGAHRFQJZCZ-SNVBAGLBSA-N 1 2 237.303 0.517 20 0 BCADLO CCN1CC[N@H+](CCOCCOC)[C@@H](C)C1=O ZINC000355259095 356754811 /nfs/dbraw/zinc/75/48/11/356754811.db2.gz MKCPXEDSYUUDCU-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN1CC[N@@H+](CCOCCOC)[C@@H](C)C1=O ZINC000355259095 356754817 /nfs/dbraw/zinc/75/48/17/356754817.db2.gz MKCPXEDSYUUDCU-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cncc(C)n2)CCO1 ZINC000639839035 356833759 /nfs/dbraw/zinc/83/37/59/356833759.db2.gz YUUAUAUWYNUBNM-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cncc(C)n2)CCO1 ZINC000639839035 356833762 /nfs/dbraw/zinc/83/37/62/356833762.db2.gz YUUAUAUWYNUBNM-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623362514 356810508 /nfs/dbraw/zinc/81/05/08/356810508.db2.gz WWYKQBRZXVNZGP-UWVGGRQHSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623362514 356810511 /nfs/dbraw/zinc/81/05/11/356810511.db2.gz WWYKQBRZXVNZGP-UWVGGRQHSA-N 1 2 229.324 0.415 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000639830913 356813111 /nfs/dbraw/zinc/81/31/11/356813111.db2.gz PORCZMRDHGNZQG-WDEREUQCSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000639830913 356813113 /nfs/dbraw/zinc/81/31/13/356813113.db2.gz PORCZMRDHGNZQG-WDEREUQCSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000639832219 356817405 /nfs/dbraw/zinc/81/74/05/356817405.db2.gz DJQASVZSOAJFFX-SNVBAGLBSA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H](O)COC(C)C)CCO1 ZINC000639832486 356818357 /nfs/dbraw/zinc/81/83/57/356818357.db2.gz CADHBWVMVOXKOD-GHMZBOCLSA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H](O)COC(C)C)CCO1 ZINC000639832486 356818361 /nfs/dbraw/zinc/81/83/61/356818361.db2.gz CADHBWVMVOXKOD-GHMZBOCLSA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000639833021 356819651 /nfs/dbraw/zinc/81/96/51/356819651.db2.gz FKWKYGHFZFWOFZ-NWDGAFQWSA-N 1 2 247.335 0.325 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000639833021 356819655 /nfs/dbraw/zinc/81/96/55/356819655.db2.gz FKWKYGHFZFWOFZ-NWDGAFQWSA-N 1 2 247.335 0.325 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000639833502 356820442 /nfs/dbraw/zinc/82/04/42/356820442.db2.gz JSUFKUAPMPKEKY-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000639833502 356820447 /nfs/dbraw/zinc/82/04/47/356820447.db2.gz JSUFKUAPMPKEKY-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1C[N@H+](CCOCC(C)C)CCO1 ZINC000639840688 356835910 /nfs/dbraw/zinc/83/59/10/356835910.db2.gz ZHBIBTLOGSTJEU-NSHDSACASA-N 1 2 217.309 0.964 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOCC(C)C)CCO1 ZINC000639840688 356835913 /nfs/dbraw/zinc/83/59/13/356835913.db2.gz ZHBIBTLOGSTJEU-NSHDSACASA-N 1 2 217.309 0.964 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC2CCOCC2)CCO1 ZINC000639835596 356825816 /nfs/dbraw/zinc/82/58/16/356825816.db2.gz GCHYBEBXMMKMQE-LBPRGKRZSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC2CCOCC2)CCO1 ZINC000639835596 356825820 /nfs/dbraw/zinc/82/58/20/356825820.db2.gz GCHYBEBXMMKMQE-LBPRGKRZSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000639837893 356827907 /nfs/dbraw/zinc/82/79/07/356827907.db2.gz ZZPKSTKMZPHYQG-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000639837893 356827908 /nfs/dbraw/zinc/82/79/08/356827908.db2.gz ZZPKSTKMZPHYQG-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1C[N@H+](CCCC(=O)N(C)C)CCO1 ZINC000639837573 356830007 /nfs/dbraw/zinc/83/00/07/356830007.db2.gz NFRLXPNRZWNUFW-LLVKDONJSA-N 1 2 230.308 0.160 20 0 BCADLO CO[C@H]1C[N@@H+](CCCC(=O)N(C)C)CCO1 ZINC000639837573 356830009 /nfs/dbraw/zinc/83/00/09/356830009.db2.gz NFRLXPNRZWNUFW-LLVKDONJSA-N 1 2 230.308 0.160 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000639862855 356869642 /nfs/dbraw/zinc/86/96/42/356869642.db2.gz PXOBBANLJSVYGW-JTQLQIEISA-N 1 2 227.308 0.263 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000639862855 356869645 /nfs/dbraw/zinc/86/96/45/356869645.db2.gz PXOBBANLJSVYGW-JTQLQIEISA-N 1 2 227.308 0.263 20 0 BCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NC)C2)CC1 ZINC000358777768 356877107 /nfs/dbraw/zinc/87/71/07/356877107.db2.gz KJXSFKSXFCZCCC-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N=c1cc[nH][nH]1 ZINC000352178637 538719463 /nfs/dbraw/zinc/71/94/63/538719463.db2.gz PFCZHTJKMTZXCO-UHFFFAOYSA-N 1 2 205.221 0.126 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N=c1cc[nH][nH]1 ZINC000352178637 538719470 /nfs/dbraw/zinc/71/94/70/538719470.db2.gz PFCZHTJKMTZXCO-UHFFFAOYSA-N 1 2 205.221 0.126 20 0 BCADLO CCc1nc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000359377682 356888688 /nfs/dbraw/zinc/88/86/88/356888688.db2.gz KNSFQSWYWMPTRY-UHFFFAOYSA-N 1 2 235.247 0.259 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1COCCO1)C(C)C ZINC000450518185 202189324 /nfs/dbraw/zinc/18/93/24/202189324.db2.gz IHJBSLJJSZOYNA-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1COCCO1)C(C)C ZINC000450518185 202189328 /nfs/dbraw/zinc/18/93/28/202189328.db2.gz IHJBSLJJSZOYNA-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO CCc1nc(C(=O)N2CC[NH+](C)CC2)no1 ZINC000359374709 356888939 /nfs/dbraw/zinc/88/89/39/356888939.db2.gz CNXKJUVFICHDHA-UHFFFAOYSA-N 1 2 224.264 0.020 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000361159875 356917827 /nfs/dbraw/zinc/91/78/27/356917827.db2.gz QUEPLQAUCVJSPN-VIFPVBQESA-N 1 2 237.303 0.714 20 0 BCADLO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361628346 356934963 /nfs/dbraw/zinc/93/49/63/356934963.db2.gz HZOYLFVNOGPJEV-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO CCCCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361628346 356934968 /nfs/dbraw/zinc/93/49/68/356934968.db2.gz HZOYLFVNOGPJEV-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)[nH]1 ZINC000368475200 356972798 /nfs/dbraw/zinc/97/27/98/356972798.db2.gz RLZZJMDQUFFLEZ-LBPRGKRZSA-N 1 2 236.319 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@](O)(C3CC3)C2)[nH]1 ZINC000368475200 356972800 /nfs/dbraw/zinc/97/28/00/356972800.db2.gz RLZZJMDQUFFLEZ-LBPRGKRZSA-N 1 2 236.319 0.714 20 0 BCADLO C[N@@H+]1CCN(CC[C@H]2CCCCO2)[C@H](CO)C1 ZINC000639866518 356982322 /nfs/dbraw/zinc/98/23/22/356982322.db2.gz FXGVSWCBEAYPNU-QWHCGFSZSA-N 1 2 242.363 0.554 20 0 BCADLO C[N@H+]1CCN(CC[C@H]2CCCCO2)[C@H](CO)C1 ZINC000639866518 356982324 /nfs/dbraw/zinc/98/23/24/356982324.db2.gz FXGVSWCBEAYPNU-QWHCGFSZSA-N 1 2 242.363 0.554 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](F)C1 ZINC000450605424 202208059 /nfs/dbraw/zinc/20/80/59/202208059.db2.gz ZMZZSUKIIOYOPJ-SSDOTTSWSA-N 1 2 221.239 0.912 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000582303633 357041971 /nfs/dbraw/zinc/04/19/71/357041971.db2.gz GRDRHZDNLYCTIZ-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO COCCCCCN1CC[N@H+](C)C[C@H]1CO ZINC000639872319 357042014 /nfs/dbraw/zinc/04/20/14/357042014.db2.gz VDZATSPTXRYIIU-LBPRGKRZSA-N 1 2 230.352 0.411 20 0 BCADLO COCCCCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639872319 357042016 /nfs/dbraw/zinc/04/20/16/357042016.db2.gz VDZATSPTXRYIIU-LBPRGKRZSA-N 1 2 230.352 0.411 20 0 BCADLO C[N@@H+]1CCN([C@H]2C=CCCC2)[C@@H](CO)C1 ZINC000639872271 357042313 /nfs/dbraw/zinc/04/23/13/357042313.db2.gz VCOXDQYWYWHKCS-NWDGAFQWSA-N 1 2 210.321 0.703 20 0 BCADLO C[N@H+]1CCN([C@H]2C=CCCC2)[C@@H](CO)C1 ZINC000639872271 357042316 /nfs/dbraw/zinc/04/23/16/357042316.db2.gz VCOXDQYWYWHKCS-NWDGAFQWSA-N 1 2 210.321 0.703 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CC2CCC2)CC1 ZINC000120300968 357045557 /nfs/dbraw/zinc/04/55/57/357045557.db2.gz BKCYNYFNGVXLAK-UHFFFAOYSA-N 1 2 246.376 0.754 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cn[nH]c1)C(C)C ZINC000390589400 357106404 /nfs/dbraw/zinc/10/64/04/357106404.db2.gz RVADYRIFBLEFOS-SNVBAGLBSA-N 1 2 225.292 0.739 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CCCCO1 ZINC000355266384 538790143 /nfs/dbraw/zinc/79/01/43/538790143.db2.gz NBCFIMUHMLMFCE-NSHDSACASA-N 1 2 237.303 0.996 20 0 BCADLO COC[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000355271908 538790881 /nfs/dbraw/zinc/79/08/81/538790881.db2.gz UEWMEJMLDGXTNL-SECBINFHSA-N 1 2 225.292 0.709 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079347 357064045 /nfs/dbraw/zinc/06/40/45/357064045.db2.gz QSEWXAGJMRADJJ-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079347 357064049 /nfs/dbraw/zinc/06/40/49/357064049.db2.gz QSEWXAGJMRADJJ-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO NC(=O)c1coc(C[NH2+]CC2(F)CC2)c1 ZINC000389904483 357064778 /nfs/dbraw/zinc/06/47/78/357064778.db2.gz GDKUZBMCCMOUOP-UHFFFAOYSA-N 1 2 212.224 0.970 20 0 BCADLO C[C@@H](CO)CNc1[nH+]cnc2c1cnn2C ZINC000053583987 357065621 /nfs/dbraw/zinc/06/56/21/357065621.db2.gz VVCPCDYHTQTWGQ-SSDOTTSWSA-N 1 2 221.264 0.404 20 0 BCADLO CC(C)OC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000390127454 357083175 /nfs/dbraw/zinc/08/31/75/357083175.db2.gz IJEGCWMGFHZWEZ-UHFFFAOYSA-N 1 2 225.296 0.256 20 0 BCADLO COc1ccncc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399881194 357091950 /nfs/dbraw/zinc/09/19/50/357091950.db2.gz YKMZXCRGCINVDW-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO COc1ccncc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399881194 357091952 /nfs/dbraw/zinc/09/19/52/357091952.db2.gz YKMZXCRGCINVDW-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000582354575 357096390 /nfs/dbraw/zinc/09/63/90/357096390.db2.gz FVYAUKZUFDXVIA-JGPRNRPPSA-N 1 2 234.303 0.981 20 0 BCADLO C[C@H](CO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346832426 357160924 /nfs/dbraw/zinc/16/09/24/357160924.db2.gz ZYDIGPZOECIDSK-HTQZYQBOSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@H](CO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000346832426 357160925 /nfs/dbraw/zinc/16/09/25/357160925.db2.gz ZYDIGPZOECIDSK-HTQZYQBOSA-N 1 2 223.276 0.327 20 0 BCADLO Cc1nnc(C(=O)NC2C[NH+](C(C)C)C2)s1 ZINC000613655522 363577140 /nfs/dbraw/zinc/57/71/40/363577140.db2.gz OHVVNRYFQYCGFQ-UHFFFAOYSA-N 1 2 240.332 0.669 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCc1c[nH+]cn1C ZINC000356768102 538814501 /nfs/dbraw/zinc/81/45/01/538814501.db2.gz SGJSSNWZBJHNGA-UHFFFAOYSA-N 1 2 246.270 0.258 20 0 BCADLO O=C(Nc1ccncc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639890911 357212138 /nfs/dbraw/zinc/21/21/38/357212138.db2.gz CWAZDSOGSNNEHF-JTQLQIEISA-N 1 2 243.270 0.446 20 0 BCADLO CCCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000123179021 357213467 /nfs/dbraw/zinc/21/34/67/357213467.db2.gz PNKADOWYOVGITD-UHFFFAOYSA-N 1 2 245.348 0.993 20 0 BCADLO C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CCOC1 ZINC000157132273 538810373 /nfs/dbraw/zinc/81/03/73/538810373.db2.gz WQKKLLANPBWFSB-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO CCOC(=O)CN(CC)CC[NH+]1CCOCC1 ZINC000050051378 357281201 /nfs/dbraw/zinc/28/12/01/357281201.db2.gz KXTDIBMDROSAFE-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCN1CCOCC1 ZINC000050051378 357281203 /nfs/dbraw/zinc/28/12/03/357281203.db2.gz KXTDIBMDROSAFE-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCN1CCOCC1 ZINC000050051378 357281208 /nfs/dbraw/zinc/28/12/08/357281208.db2.gz KXTDIBMDROSAFE-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CO)CC1 ZINC000393501319 357285111 /nfs/dbraw/zinc/28/51/11/357285111.db2.gz ZVRQKJFGEHVKBG-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCOCCN1 ZINC000639899972 357310521 /nfs/dbraw/zinc/31/05/21/357310521.db2.gz NLSIGVCTAKVGOC-UHFFFAOYSA-N 1 2 236.275 0.181 20 0 BCADLO Cc1cc(NC(=O)N2CCC23COC3)cc[nH+]1 ZINC000639901511 357305170 /nfs/dbraw/zinc/30/51/70/357305170.db2.gz WRWOUHBNBVIDTB-UHFFFAOYSA-N 1 2 233.271 0.819 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC000639896900 357265295 /nfs/dbraw/zinc/26/52/95/357265295.db2.gz WFUVLMSQBWFFKI-VIFPVBQESA-N 1 2 220.276 0.542 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000639896900 357265297 /nfs/dbraw/zinc/26/52/97/357265297.db2.gz WFUVLMSQBWFFKI-VIFPVBQESA-N 1 2 220.276 0.542 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccncc1 ZINC000356800752 538818744 /nfs/dbraw/zinc/81/87/44/538818744.db2.gz JSPGRRVBWLTXBF-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H]3C[C@]3(O)C2)cc[nH+]1 ZINC000639899600 357278529 /nfs/dbraw/zinc/27/85/29/357278529.db2.gz DENBGQOTMMVASX-CABZTGNLSA-N 1 2 233.271 0.410 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000639900138 357312659 /nfs/dbraw/zinc/31/26/59/357312659.db2.gz QEVPPABKLLQKIS-CABZTGNLSA-N 1 2 233.271 0.410 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)no1 ZINC000582479298 357315915 /nfs/dbraw/zinc/31/59/15/357315915.db2.gz GEXQHZZFKLRKJQ-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)no1 ZINC000582479298 357315919 /nfs/dbraw/zinc/31/59/19/357315919.db2.gz GEXQHZZFKLRKJQ-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000582492331 357320662 /nfs/dbraw/zinc/32/06/62/357320662.db2.gz LCJJKFIOBBAYLW-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(=O)[nH]c1 ZINC000357363894 538827789 /nfs/dbraw/zinc/82/77/89/538827789.db2.gz MRWHFRINMCPVPP-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(=O)[nH]c1 ZINC000357363894 538827795 /nfs/dbraw/zinc/82/77/95/538827795.db2.gz MRWHFRINMCPVPP-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CSCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000582699402 357365088 /nfs/dbraw/zinc/36/50/88/357365088.db2.gz JEWFFDQCMWJGTP-UHFFFAOYSA-N 1 2 213.306 0.705 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000618701552 357405731 /nfs/dbraw/zinc/40/57/31/357405731.db2.gz JGRIMEIXJWUGQS-PWSUYJOCSA-N 1 2 235.287 0.378 20 0 BCADLO O=C1CN(C2CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000348361554 357498651 /nfs/dbraw/zinc/49/86/51/357498651.db2.gz FHTIKXPNQYYZQP-UHFFFAOYSA-N 1 2 234.259 0.310 20 0 BCADLO O=C([C@@H]1CCC(=O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000583026590 357463104 /nfs/dbraw/zinc/46/31/04/357463104.db2.gz HOACNDINNGYVOW-SECBINFHSA-N 1 2 233.271 0.636 20 0 BCADLO OCC(CO)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000583092375 357478466 /nfs/dbraw/zinc/47/84/66/357478466.db2.gz NGGDYFOIMQWHCR-UHFFFAOYSA-N 1 2 249.270 0.179 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1nncn1C1CC1 ZINC000583102490 357479867 /nfs/dbraw/zinc/47/98/67/357479867.db2.gz FEZRYQJIMCSXPL-UHFFFAOYSA-N 1 2 246.274 0.907 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2COC(C)(C)C2)n1 ZINC000396812847 357484250 /nfs/dbraw/zinc/48/42/50/357484250.db2.gz QPQGOXQOXFHOSO-MRVPVSSYSA-N 1 2 210.281 0.472 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2COC(C)(C)C2)n1 ZINC000396812849 357484417 /nfs/dbraw/zinc/48/44/17/357484417.db2.gz QPQGOXQOXFHOSO-QMMMGPOBSA-N 1 2 210.281 0.472 20 0 BCADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000396974981 357487627 /nfs/dbraw/zinc/48/76/27/357487627.db2.gz DDKZHLFINOFRBZ-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO CC1(C[NH+]2CC(NS(C)(=O)=O)C2)CCC1 ZINC000628429102 357488696 /nfs/dbraw/zinc/48/86/96/357488696.db2.gz USYHOWGQAHFCHS-UHFFFAOYSA-N 1 2 232.349 0.410 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOCC1CC1 ZINC000188606688 357568319 /nfs/dbraw/zinc/56/83/19/357568319.db2.gz XPQKZOLCSHJPKO-WDEREUQCSA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOCC1CC1 ZINC000188606688 357568322 /nfs/dbraw/zinc/56/83/22/357568322.db2.gz XPQKZOLCSHJPKO-WDEREUQCSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)[C@@H]2C)O1 ZINC000188544459 357560677 /nfs/dbraw/zinc/56/06/77/357560677.db2.gz SCHFLEKBGIOQLS-KXUCPTDWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCNC(=O)[C@@H]2C)O1 ZINC000188544459 357560681 /nfs/dbraw/zinc/56/06/81/357560681.db2.gz SCHFLEKBGIOQLS-KXUCPTDWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000360983076 538867173 /nfs/dbraw/zinc/86/71/73/538867173.db2.gz MDZIHAOZTYLRHX-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000360983076 538867179 /nfs/dbraw/zinc/86/71/79/538867179.db2.gz MDZIHAOZTYLRHX-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO COCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000188905128 357589524 /nfs/dbraw/zinc/58/95/24/357589524.db2.gz FSVSDGMTDGQNHR-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO COCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000188905128 357589526 /nfs/dbraw/zinc/58/95/26/357589526.db2.gz FSVSDGMTDGQNHR-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@]1(OC)CCOC1)C1CC1 ZINC000231204205 357599102 /nfs/dbraw/zinc/59/91/02/357599102.db2.gz WBTVWDJKVJLNPA-ZYHUDNBSSA-N 1 2 243.303 0.333 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccccn1 ZINC000189096051 357604388 /nfs/dbraw/zinc/60/43/88/357604388.db2.gz WWFXCVWXBXNWEU-JTQLQIEISA-N 1 2 219.288 0.792 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccccn1 ZINC000189096051 357604390 /nfs/dbraw/zinc/60/43/90/357604390.db2.gz WWFXCVWXBXNWEU-JTQLQIEISA-N 1 2 219.288 0.792 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)NC(C)C)C1CC1 ZINC000231788985 357629926 /nfs/dbraw/zinc/62/99/26/357629926.db2.gz HEPVSSWWKIAHNU-LLVKDONJSA-N 1 2 242.319 0.442 20 0 BCADLO CCCN1CCC[N@H+](CC(=O)NCC)CC1=O ZINC000189422723 357641221 /nfs/dbraw/zinc/64/12/21/357641221.db2.gz JJOOGXNEQSLMHV-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCN1CCC[N@@H+](CC(=O)NCC)CC1=O ZINC000189422723 357641228 /nfs/dbraw/zinc/64/12/28/357641228.db2.gz JJOOGXNEQSLMHV-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000189539476 357642869 /nfs/dbraw/zinc/64/28/69/357642869.db2.gz NDDZQVFCYJSNHZ-DCAQKATOSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H]1CCCO1 ZINC000189539476 357642873 /nfs/dbraw/zinc/64/28/73/357642873.db2.gz NDDZQVFCYJSNHZ-DCAQKATOSA-N 1 2 243.303 0.164 20 0 BCADLO CCN1CN(c2cc[nH+]c(C)n2)CC1=O ZINC000189775062 357660731 /nfs/dbraw/zinc/66/07/31/357660731.db2.gz ZKHFFIYBPITGIL-UHFFFAOYSA-N 1 2 206.249 0.411 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(N)=O)c1C ZINC000639921454 357661054 /nfs/dbraw/zinc/66/10/54/357661054.db2.gz WKHFFRNJEGNJNY-SNVBAGLBSA-N 1 2 238.335 0.825 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(N)=O)c1C ZINC000639921454 357661057 /nfs/dbraw/zinc/66/10/57/357661057.db2.gz WKHFFRNJEGNJNY-SNVBAGLBSA-N 1 2 238.335 0.825 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000064139930 357725530 /nfs/dbraw/zinc/72/55/30/357725530.db2.gz DNDJSXUTGALIEY-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000064139930 357725535 /nfs/dbraw/zinc/72/55/35/357725535.db2.gz DNDJSXUTGALIEY-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)CC[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000190228840 357696586 /nfs/dbraw/zinc/69/65/86/357696586.db2.gz IHOLTLCEKOTOJE-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000190228840 357696591 /nfs/dbraw/zinc/69/65/91/357696591.db2.gz IHOLTLCEKOTOJE-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO CCOC[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000233780783 357748304 /nfs/dbraw/zinc/74/83/04/357748304.db2.gz QNUXUUSHHTTWQY-VIFPVBQESA-N 1 2 227.312 0.361 20 0 BCADLO CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1=O ZINC000191114300 357751873 /nfs/dbraw/zinc/75/18/73/357751873.db2.gz HYTOCELANIYJSU-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1=O ZINC000191114300 357751878 /nfs/dbraw/zinc/75/18/78/357751878.db2.gz HYTOCELANIYJSU-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247719 357762893 /nfs/dbraw/zinc/76/28/93/357762893.db2.gz XSGMLFHDHRVNOU-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000064247719 357762894 /nfs/dbraw/zinc/76/28/94/357762894.db2.gz XSGMLFHDHRVNOU-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO Cc1ocnc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000397896717 357791262 /nfs/dbraw/zinc/79/12/62/357791262.db2.gz QGXZBZQQKSFHGM-SSDOTTSWSA-N 1 2 224.182 0.996 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCC(OC)CC1)[C@H](C)O ZINC000191964732 357807143 /nfs/dbraw/zinc/80/71/43/357807143.db2.gz FNKWOXONXGBKNT-IDWGSYCQSA-N 1 2 245.319 0.456 20 0 BCADLO c1cnc(CN2CC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000192043116 357814819 /nfs/dbraw/zinc/81/48/19/357814819.db2.gz YXXACOMHRJQFBF-LBPRGKRZSA-N 1 2 248.330 0.383 20 0 BCADLO c1cnc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)nc1 ZINC000192043116 357814822 /nfs/dbraw/zinc/81/48/22/357814822.db2.gz YXXACOMHRJQFBF-LBPRGKRZSA-N 1 2 248.330 0.383 20 0 BCADLO c1cnc(C[N@H+]2CC[C@H](N3CCOCC3)C2)nc1 ZINC000192043116 357814825 /nfs/dbraw/zinc/81/48/25/357814825.db2.gz YXXACOMHRJQFBF-LBPRGKRZSA-N 1 2 248.330 0.383 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000618703839 357784051 /nfs/dbraw/zinc/78/40/51/357784051.db2.gz HHIVQYHNASSBFE-MFKMUULPSA-N 1 2 249.314 0.837 20 0 BCADLO Cn1nnc(C[NH2+]Cc2ccc3[nH]ccc3c2)n1 ZINC000398030026 357829580 /nfs/dbraw/zinc/82/95/80/357829580.db2.gz JFOAGVMCSWOOQW-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO COc1ccc[nH+]c1NCc1nnn(C)n1 ZINC000398120355 357844411 /nfs/dbraw/zinc/84/44/11/357844411.db2.gz GHJGSCFGEGPZHP-UHFFFAOYSA-N 1 2 220.236 0.226 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@@H]1CCOC1 ZINC000398988509 357892496 /nfs/dbraw/zinc/89/24/96/357892496.db2.gz MXAOVKIZBUALCV-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@@H]1CCOC1 ZINC000398988509 357892499 /nfs/dbraw/zinc/89/24/99/357892499.db2.gz MXAOVKIZBUALCV-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO COC(=O)Cn1ncc(NCc2[nH]cc[nH+]2)c1C ZINC000192989122 357863304 /nfs/dbraw/zinc/86/33/04/357863304.db2.gz AAPAQDDDNRIGTH-UHFFFAOYSA-N 1 2 249.274 0.700 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)CN(C2CCC2)C1=O ZINC000349021968 357918870 /nfs/dbraw/zinc/91/88/70/357918870.db2.gz WQGSURSUAYOEHU-UHFFFAOYSA-N 1 2 248.286 0.737 20 0 BCADLO COC(=O)[C@@H](NCc1[nH+]ccn1C)C(C)C ZINC000035085085 357963172 /nfs/dbraw/zinc/96/31/72/357963172.db2.gz XIBVTVAFWOSMKP-JTQLQIEISA-N 1 2 225.292 0.707 20 0 BCADLO C[C@@H]1N(C(=O)Cn2cc[nH+]c2)CCOC1(C)C ZINC000583845982 357976370 /nfs/dbraw/zinc/97/63/70/357976370.db2.gz HVEHHIOHRVZCGF-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO CCOC(=O)CC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000035346634 357984959 /nfs/dbraw/zinc/98/49/59/357984959.db2.gz JDCQQSCHPGOUIV-SNVBAGLBSA-N 1 2 231.292 0.727 20 0 BCADLO CCOC(=O)CC[NH2+][C@H](C(=O)OC)C(C)C ZINC000035346633 357984974 /nfs/dbraw/zinc/98/49/74/357984974.db2.gz JDCQQSCHPGOUIV-JTQLQIEISA-N 1 2 231.292 0.727 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(F)(F)C1 ZINC000584487587 358001828 /nfs/dbraw/zinc/00/18/28/358001828.db2.gz KOCCZZQFILGBBU-UHFFFAOYSA-N 1 2 215.203 0.751 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CCC1 ZINC000639969272 358021792 /nfs/dbraw/zinc/02/17/92/358021792.db2.gz YIKPYMBIQLHHOW-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000639969272 358021795 /nfs/dbraw/zinc/02/17/95/358021795.db2.gz YIKPYMBIQLHHOW-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000639969133 358022016 /nfs/dbraw/zinc/02/20/16/358022016.db2.gz UYYRAMJSFLPIQI-VIFPVBQESA-N 1 2 224.308 0.627 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000639969133 358022017 /nfs/dbraw/zinc/02/20/17/358022017.db2.gz UYYRAMJSFLPIQI-VIFPVBQESA-N 1 2 224.308 0.627 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000639970691 358023984 /nfs/dbraw/zinc/02/39/84/358023984.db2.gz IUOUMPRLOIDLPM-QMMMGPOBSA-N 1 2 245.348 0.583 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)C[C@H](C)S(C)(=O)=O ZINC000639970691 358023985 /nfs/dbraw/zinc/02/39/85/358023985.db2.gz IUOUMPRLOIDLPM-QMMMGPOBSA-N 1 2 245.348 0.583 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CCC1 ZINC000623418820 358074586 /nfs/dbraw/zinc/07/45/86/358074586.db2.gz HLHMUFXVJPKEBE-NSHDSACASA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CCC1 ZINC000623418820 358074590 /nfs/dbraw/zinc/07/45/90/358074590.db2.gz HLHMUFXVJPKEBE-NSHDSACASA-N 1 2 241.335 0.416 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CCC1 ZINC000623418819 358074636 /nfs/dbraw/zinc/07/46/36/358074636.db2.gz HLHMUFXVJPKEBE-LLVKDONJSA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CCC1 ZINC000623418819 358074640 /nfs/dbraw/zinc/07/46/40/358074640.db2.gz HLHMUFXVJPKEBE-LLVKDONJSA-N 1 2 241.335 0.416 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](O)C2)c(C)c[nH+]1 ZINC000584573053 358082651 /nfs/dbraw/zinc/08/26/51/358082651.db2.gz XLOLJWZBSSSWGN-AOOOYVTPSA-N 1 2 235.287 0.765 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000170764413 134253388 /nfs/dbraw/zinc/25/33/88/134253388.db2.gz MWEMCBRVTMRFNO-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000170764413 134253389 /nfs/dbraw/zinc/25/33/89/134253389.db2.gz MWEMCBRVTMRFNO-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H](NC(=O)NC1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000170918643 134255327 /nfs/dbraw/zinc/25/53/27/134255327.db2.gz GCFAAJFHLSYFLL-NXEZZACHSA-N 1 2 241.335 0.557 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000640034814 358127393 /nfs/dbraw/zinc/12/73/93/358127393.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000640034814 358127395 /nfs/dbraw/zinc/12/73/95/358127395.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000640034814 358127398 /nfs/dbraw/zinc/12/73/98/358127398.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000640034814 358127401 /nfs/dbraw/zinc/12/74/01/358127401.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000640034814 358127404 /nfs/dbraw/zinc/12/74/04/358127404.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000640034814 358127406 /nfs/dbraw/zinc/12/74/06/358127406.db2.gz CXQZKFAPZDUFJC-JTQLQIEISA-N 1 2 210.281 0.542 20 0 BCADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csnn1)C2 ZINC000640074517 358172679 /nfs/dbraw/zinc/17/26/79/358172679.db2.gz CKEYDMJCCQWUDB-FKTZTGRPSA-N 1 2 225.317 0.883 20 0 BCADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csnn1)C2 ZINC000640074517 358172680 /nfs/dbraw/zinc/17/26/80/358172680.db2.gz CKEYDMJCCQWUDB-FKTZTGRPSA-N 1 2 225.317 0.883 20 0 BCADLO Cc1cccc(C[NH+]2CCN(C(=O)CO)CC2)n1 ZINC000450629313 202217143 /nfs/dbraw/zinc/21/71/43/202217143.db2.gz YBZMRBUGNLFFJK-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584810976 358183809 /nfs/dbraw/zinc/18/38/09/358183809.db2.gz WMDIJOOWMOSQMA-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000584810976 358183813 /nfs/dbraw/zinc/18/38/13/358183813.db2.gz WMDIJOOWMOSQMA-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)c1nc(N2CCOC[C@@H](O)C2)cc[nH+]1 ZINC000450654613 202227491 /nfs/dbraw/zinc/22/74/91/202227491.db2.gz XLIAMHXCXWEBKU-JTQLQIEISA-N 1 2 237.303 0.798 20 0 BCADLO CCOC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000104282249 358216908 /nfs/dbraw/zinc/21/69/08/358216908.db2.gz LXRPZSYBENADLR-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CCCC[N@H+](CCCO)Cc1cnn[nH]1 ZINC000450686724 202235073 /nfs/dbraw/zinc/23/50/73/202235073.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 1 2 212.297 0.789 20 0 BCADLO CCCC[N@@H+](CCCO)Cc1cnn[nH]1 ZINC000450686724 202235075 /nfs/dbraw/zinc/23/50/75/202235075.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 1 2 212.297 0.789 20 0 BCADLO CCCC[N@H+](CCCO)Cc1c[nH]nn1 ZINC000450686724 202235078 /nfs/dbraw/zinc/23/50/78/202235078.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 1 2 212.297 0.789 20 0 BCADLO CCCC[N@@H+](CCCO)Cc1c[nH]nn1 ZINC000450686724 202235082 /nfs/dbraw/zinc/23/50/82/202235082.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 1 2 212.297 0.789 20 0 BCADLO CCCC[N@@H+](CCCO)Cc1cn[nH]n1 ZINC000450686724 202235088 /nfs/dbraw/zinc/23/50/88/202235088.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 1 2 212.297 0.789 20 0 BCADLO CC[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCO1 ZINC000450726170 202246550 /nfs/dbraw/zinc/24/65/50/202246550.db2.gz KHGJFMHBWKLTRP-VHSXEESVSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@H]1CCCO1 ZINC000450726170 202246552 /nfs/dbraw/zinc/24/65/52/202246552.db2.gz KHGJFMHBWKLTRP-VHSXEESVSA-N 1 2 210.281 0.852 20 0 BCADLO CC[C@@H]1COCCN1C(=O)Cc1c[nH+]cn1C ZINC000547539457 325370986 /nfs/dbraw/zinc/37/09/86/325370986.db2.gz DBYWXRJBIYKLOD-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO CCC(CC)([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450740910 202250654 /nfs/dbraw/zinc/25/06/54/202250654.db2.gz WXFSQTRYPUYMEG-SNVBAGLBSA-N 1 2 245.319 0.723 20 0 BCADLO CN(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000041364779 358322961 /nfs/dbraw/zinc/32/29/61/358322961.db2.gz YNANQZHUGHMFSP-UHFFFAOYSA-N 1 2 232.349 0.140 20 0 BCADLO C[C@@H](NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000229810306 358407540 /nfs/dbraw/zinc/40/75/40/358407540.db2.gz KKPSGAUVSLICTC-SSDOTTSWSA-N 1 2 217.232 0.691 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)[C@H](C)CO ZINC000228680655 358383989 /nfs/dbraw/zinc/38/39/89/358383989.db2.gz MMOLOIWJLAFABY-RQJHMYQMSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)[C@H](C)CO ZINC000228680655 358383990 /nfs/dbraw/zinc/38/39/90/358383990.db2.gz MMOLOIWJLAFABY-RQJHMYQMSA-N 1 2 226.280 0.496 20 0 BCADLO CCn1cnnc1CNc1nc[nH+]c(N)c1OC ZINC000230761850 358410503 /nfs/dbraw/zinc/41/05/03/358410503.db2.gz OPXFCSOWIJHWLV-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO CCn1cnnc1CNc1[nH+]cnc(N)c1OC ZINC000230761850 358410509 /nfs/dbraw/zinc/41/05/09/358410509.db2.gz OPXFCSOWIJHWLV-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO CC[C@H](O)CNc1nc[nH+]c(N)c1OC ZINC000230058572 358391177 /nfs/dbraw/zinc/39/11/77/358391177.db2.gz YGXPPZKGPBPEQK-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO CC[C@H](O)CNc1[nH+]cnc(N)c1OC ZINC000230058572 358391183 /nfs/dbraw/zinc/39/11/83/358391183.db2.gz YGXPPZKGPBPEQK-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCOC ZINC000610998527 358425149 /nfs/dbraw/zinc/42/51/49/358425149.db2.gz INOCJXDCQAUWDJ-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCOC ZINC000610998527 358425150 /nfs/dbraw/zinc/42/51/50/358425150.db2.gz INOCJXDCQAUWDJ-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NCC(F)F ZINC000640195698 358627615 /nfs/dbraw/zinc/62/76/15/358627615.db2.gz ZOHYZIHFYJKZFN-UHFFFAOYSA-N 1 2 232.234 0.967 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000175237376 134286450 /nfs/dbraw/zinc/28/64/50/134286450.db2.gz KIWNOMTWKVSSIT-QMMMGPOBSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000175237376 134286451 /nfs/dbraw/zinc/28/64/51/134286451.db2.gz KIWNOMTWKVSSIT-QMMMGPOBSA-N 1 2 243.307 0.980 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1(CO)CC1 ZINC000132171536 491134600 /nfs/dbraw/zinc/13/46/00/491134600.db2.gz QLUPVQMDDAGCNQ-UHFFFAOYSA-N 1 2 223.276 0.162 20 0 BCADLO CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047676095 358597900 /nfs/dbraw/zinc/59/79/00/358597900.db2.gz NQUJSTSZQGKXTK-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000252696115 535432805 /nfs/dbraw/zinc/43/28/05/535432805.db2.gz MXRGFAYUBNYATA-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000252696115 535432809 /nfs/dbraw/zinc/43/28/09/535432809.db2.gz MXRGFAYUBNYATA-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc[nH]c1=O ZINC000048963315 358664219 /nfs/dbraw/zinc/66/42/19/358664219.db2.gz RMRZXYXRZCAMMU-VIFPVBQESA-N 1 2 246.270 0.390 20 0 BCADLO CCOC(=O)C[N@H+](CCC(=O)N(C)C)C1CC1 ZINC000049573352 358695402 /nfs/dbraw/zinc/69/54/02/358695402.db2.gz IJSSCPRNZQEGPG-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)C[N@@H+](CCC(=O)N(C)C)C1CC1 ZINC000049573352 358695404 /nfs/dbraw/zinc/69/54/04/358695404.db2.gz IJSSCPRNZQEGPG-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)C1([NH2+]CCOCCO)CCCCC1 ZINC000133042830 358744249 /nfs/dbraw/zinc/74/42/49/358744249.db2.gz LZZVTKSKTDOWBT-UHFFFAOYSA-N 1 2 245.319 0.461 20 0 BCADLO C[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000051822126 358764130 /nfs/dbraw/zinc/76/41/30/358764130.db2.gz ABZDHBWDZBFMJI-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000051822126 358764133 /nfs/dbraw/zinc/76/41/33/358764133.db2.gz ABZDHBWDZBFMJI-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO CCOC(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000050064520 358711903 /nfs/dbraw/zinc/71/19/03/358711903.db2.gz KQEAWWYMEVLWRL-JTQLQIEISA-N 1 2 237.303 0.948 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000050116724 358716774 /nfs/dbraw/zinc/71/67/74/358716774.db2.gz WMEDUJIKEPLVLX-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000050116724 358716776 /nfs/dbraw/zinc/71/67/76/358716776.db2.gz WMEDUJIKEPLVLX-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000050419131 358730042 /nfs/dbraw/zinc/73/00/42/358730042.db2.gz WBGGYGQRHZTVDU-RKDXNWHRSA-N 1 2 239.323 0.380 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000050419128 358730243 /nfs/dbraw/zinc/73/02/43/358730243.db2.gz WBGGYGQRHZTVDU-DTWKUNHWSA-N 1 2 239.323 0.380 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1(CO)CC1 ZINC000617898689 358741763 /nfs/dbraw/zinc/74/17/63/358741763.db2.gz IYPONXRNNGAGER-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1(CO)CC1 ZINC000617898689 358741764 /nfs/dbraw/zinc/74/17/64/358741764.db2.gz IYPONXRNNGAGER-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1nccn1C ZINC000081901979 491136967 /nfs/dbraw/zinc/13/69/67/491136967.db2.gz KUHZYNSKTZLOQH-DTWKUNHWSA-N 1 2 245.348 0.504 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)o1 ZINC000628474161 358784210 /nfs/dbraw/zinc/78/42/10/358784210.db2.gz LMXJGKAFXYWQMP-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)o1 ZINC000628474161 358784214 /nfs/dbraw/zinc/78/42/14/358784214.db2.gz LMXJGKAFXYWQMP-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1nc(C)c(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000135483303 358840907 /nfs/dbraw/zinc/84/09/07/358840907.db2.gz ZJMBPMBBYZQFDV-UHFFFAOYSA-N 1 2 234.259 0.987 20 0 BCADLO CON(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000135911470 358856003 /nfs/dbraw/zinc/85/60/03/358856003.db2.gz ABHVUXJMFNBDRH-QMMMGPOBSA-N 1 2 209.249 0.465 20 0 BCADLO CSC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578316275 366500337 /nfs/dbraw/zinc/50/03/37/366500337.db2.gz USRIFDCRVHBVPA-QMMMGPOBSA-N 1 2 201.295 0.223 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N(CC)CC ZINC000056509106 358898948 /nfs/dbraw/zinc/89/89/48/358898948.db2.gz OTIAUVUYPJHAPZ-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CC)CC ZINC000056509106 358898953 /nfs/dbraw/zinc/89/89/53/358898953.db2.gz OTIAUVUYPJHAPZ-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CNC(=O)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000061640946 358935382 /nfs/dbraw/zinc/93/53/82/358935382.db2.gz RKWUTCBRIZLIIU-UHFFFAOYSA-N 1 2 244.298 0.708 20 0 BCADLO COC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000177937567 134302392 /nfs/dbraw/zinc/30/23/92/134302392.db2.gz KZJSALCFIMPNGP-QMMMGPOBSA-N 1 2 211.252 0.969 20 0 BCADLO COC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000177937567 134302393 /nfs/dbraw/zinc/30/23/93/134302393.db2.gz KZJSALCFIMPNGP-QMMMGPOBSA-N 1 2 211.252 0.969 20 0 BCADLO CC(C)(O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000070939966 359065851 /nfs/dbraw/zinc/06/58/51/359065851.db2.gz WWRCPXRNUPUFNX-GFCCVEGCSA-N 1 2 242.363 0.554 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246494169 359123358 /nfs/dbraw/zinc/12/33/58/359123358.db2.gz INXNSOGAQPXYCU-DMDPSCGWSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246494169 359123364 /nfs/dbraw/zinc/12/33/64/359123364.db2.gz INXNSOGAQPXYCU-DMDPSCGWSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1nn[nH]n1 ZINC000071529560 359080609 /nfs/dbraw/zinc/08/06/09/359080609.db2.gz VPGZFXKCWCJVEW-UHFFFAOYSA-N 1 2 243.230 0.029 20 0 BCADLO Cc1cc(NCCCc2nnc[nH]2)nc[nH+]1 ZINC000070646451 359060560 /nfs/dbraw/zinc/06/05/60/359060560.db2.gz YJPXPGYGDSOIPY-UHFFFAOYSA-N 1 2 218.264 0.948 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CCC1=O ZINC000070853605 359064706 /nfs/dbraw/zinc/06/47/06/359064706.db2.gz NVVUHCIBUJAYQK-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO C[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000075587770 359178818 /nfs/dbraw/zinc/17/88/18/359178818.db2.gz QPXJSSKIBMMPCE-LBPRGKRZSA-N 1 2 228.336 0.429 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@H]1CCCO1 ZINC000246996951 359181546 /nfs/dbraw/zinc/18/15/46/359181546.db2.gz LQLZZLPOAJMKIX-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H]1CCCO1 ZINC000246996951 359181549 /nfs/dbraw/zinc/18/15/49/359181549.db2.gz LQLZZLPOAJMKIX-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@H](C)CO ZINC000611235906 359188708 /nfs/dbraw/zinc/18/87/08/359188708.db2.gz UQHOMZDXMNFKOL-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@H](C)CO ZINC000611235906 359188713 /nfs/dbraw/zinc/18/87/13/359188713.db2.gz UQHOMZDXMNFKOL-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000247705290 359242284 /nfs/dbraw/zinc/24/22/84/359242284.db2.gz RYYYWKWIFMLVLX-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000247705290 359242287 /nfs/dbraw/zinc/24/22/87/359242287.db2.gz RYYYWKWIFMLVLX-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000248003236 359251508 /nfs/dbraw/zinc/25/15/08/359251508.db2.gz ODNILQLDYONYDC-SNVBAGLBSA-N 1 2 243.351 0.263 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000248003236 359251513 /nfs/dbraw/zinc/25/15/13/359251513.db2.gz ODNILQLDYONYDC-SNVBAGLBSA-N 1 2 243.351 0.263 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000248179009 359257390 /nfs/dbraw/zinc/25/73/90/359257390.db2.gz XJNUXQKZLZBLFP-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000248179009 359257393 /nfs/dbraw/zinc/25/73/93/359257393.db2.gz XJNUXQKZLZBLFP-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)C[C@@H](C)O1 ZINC000247482243 359224010 /nfs/dbraw/zinc/22/40/10/359224010.db2.gz JTSYCTVPUSQBDP-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H](C)O1 ZINC000247482243 359224012 /nfs/dbraw/zinc/22/40/12/359224012.db2.gz JTSYCTVPUSQBDP-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CC/C=C\CNC(=O)C1([NH+]2CCOCC2)CC1 ZINC000633287428 359292571 /nfs/dbraw/zinc/29/25/71/359292571.db2.gz LKODHUWFGHDTAW-ARJAWSKDSA-N 1 2 238.331 0.934 20 0 BCADLO CO[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000613811144 363646100 /nfs/dbraw/zinc/64/61/00/363646100.db2.gz KBDCXTZEYIWRJQ-NSHDSACASA-N 1 2 242.319 0.160 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501890 359385481 /nfs/dbraw/zinc/38/54/81/359385481.db2.gz KBULSTWYFVADPR-HTQZYQBOSA-N 1 2 231.271 0.122 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501890 359385483 /nfs/dbraw/zinc/38/54/83/359385483.db2.gz KBULSTWYFVADPR-HTQZYQBOSA-N 1 2 231.271 0.122 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1cn[nH]c1C ZINC000308924545 491140348 /nfs/dbraw/zinc/14/03/48/491140348.db2.gz HWCNXTNHQPLNKT-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO COC(=O)CC[N@H+](CC(=O)OC)C1CC1 ZINC000079501116 359447077 /nfs/dbraw/zinc/44/70/77/359447077.db2.gz DUICIROARHCKBD-UHFFFAOYSA-N 1 2 215.249 0.187 20 0 BCADLO COC(=O)CC[N@@H+](CC(=O)OC)C1CC1 ZINC000079501116 359447081 /nfs/dbraw/zinc/44/70/81/359447081.db2.gz DUICIROARHCKBD-UHFFFAOYSA-N 1 2 215.249 0.187 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)C1CC1 ZINC000611794755 359452824 /nfs/dbraw/zinc/45/28/24/359452824.db2.gz KQBYAXDJEKOXPJ-VIFPVBQESA-N 1 2 209.249 0.105 20 0 BCADLO C=CS(=O)(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000306300309 359542426 /nfs/dbraw/zinc/54/24/26/359542426.db2.gz UAELEXDGVNAYMR-MRVPVSSYSA-N 1 2 204.295 0.096 20 0 BCADLO C=CS(=O)(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000306300309 359542433 /nfs/dbraw/zinc/54/24/33/359542433.db2.gz UAELEXDGVNAYMR-MRVPVSSYSA-N 1 2 204.295 0.096 20 0 BCADLO COC[C@@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000308958321 491141009 /nfs/dbraw/zinc/14/10/09/491141009.db2.gz RDNZFQFENOFLML-VXNVDRBHSA-N 1 2 213.281 0.376 20 0 BCADLO Cc1nc(C)c(CNCC[N@@H+]2CC[C@H](O)C2)o1 ZINC000628498666 359711899 /nfs/dbraw/zinc/71/18/99/359711899.db2.gz SSYKXLPDPHNZPV-NSHDSACASA-N 1 2 239.319 0.448 20 0 BCADLO Cc1nc(C)c(CNCC[N@H+]2CC[C@H](O)C2)o1 ZINC000628498666 359711904 /nfs/dbraw/zinc/71/19/04/359711904.db2.gz SSYKXLPDPHNZPV-NSHDSACASA-N 1 2 239.319 0.448 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn[nH]2)CC[C@H]1C ZINC000450821344 202276249 /nfs/dbraw/zinc/27/62/49/202276249.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn[nH]2)CC[C@H]1C ZINC000450821344 202276251 /nfs/dbraw/zinc/27/62/51/202276251.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2c[nH]nn2)CC[C@H]1C ZINC000450821344 202276255 /nfs/dbraw/zinc/27/62/55/202276255.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2c[nH]nn2)CC[C@H]1C ZINC000450821344 202276259 /nfs/dbraw/zinc/27/62/59/202276259.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn[nH]n2)CC[C@H]1C ZINC000450821344 202276262 /nfs/dbraw/zinc/27/62/62/202276262.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn[nH]n2)CC[C@H]1C ZINC000450821344 202276265 /nfs/dbraw/zinc/27/62/65/202276265.db2.gz AHOLATSDFMAHSR-PSASIEDQSA-N 1 2 210.281 0.662 20 0 BCADLO CCc1nc(N2CCC[C@@H]2C(N)=O)cc(C)[nH+]1 ZINC000450800870 202270981 /nfs/dbraw/zinc/27/09/81/202270981.db2.gz CXACTVNHBFTWEV-SECBINFHSA-N 1 2 234.303 0.802 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000628497099 359700003 /nfs/dbraw/zinc/70/00/03/359700003.db2.gz GHGMRKFUGFNCRX-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000628497099 359700007 /nfs/dbraw/zinc/70/00/07/359700007.db2.gz GHGMRKFUGFNCRX-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnn[nH]2)CC[C@H]1C ZINC000450821346 202274589 /nfs/dbraw/zinc/27/45/89/202274589.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnn[nH]2)CC[C@H]1C ZINC000450821346 202274592 /nfs/dbraw/zinc/27/45/92/202274592.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@H+](Cc2c[nH]nn2)CC[C@H]1C ZINC000450821346 202274595 /nfs/dbraw/zinc/27/45/95/202274595.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2c[nH]nn2)CC[C@H]1C ZINC000450821346 202274596 /nfs/dbraw/zinc/27/45/96/202274596.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cn[nH]n2)CC[C@H]1C ZINC000450821346 202274599 /nfs/dbraw/zinc/27/45/99/202274599.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cn[nH]n2)CC[C@H]1C ZINC000450821346 202274602 /nfs/dbraw/zinc/27/46/02/202274602.db2.gz AHOLATSDFMAHSR-SCZZXKLOSA-N 1 2 210.281 0.662 20 0 BCADLO Cc1ncc(CNC(=O)Cn2cc[nH+]c2)s1 ZINC000580496705 359751366 /nfs/dbraw/zinc/75/13/66/359751366.db2.gz BUHDKAZODRIMBM-UHFFFAOYSA-N 1 2 236.300 0.964 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cscn2)C[C@@H](CO)O1 ZINC000450828851 202278689 /nfs/dbraw/zinc/27/86/89/202278689.db2.gz MTOOHTXYHVUMQO-KOLCDFICSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cscn2)C[C@@H](CO)O1 ZINC000450828851 202278691 /nfs/dbraw/zinc/27/86/91/202278691.db2.gz MTOOHTXYHVUMQO-KOLCDFICSA-N 1 2 242.344 0.767 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CN(C)C(=O)N2)c(C)[nH+]1 ZINC000612226149 359740714 /nfs/dbraw/zinc/74/07/14/359740714.db2.gz HVUFLLVXDVKQDW-SNVBAGLBSA-N 1 2 248.286 0.661 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CCNC2=O)c(C)[nH+]1 ZINC000612227844 359740740 /nfs/dbraw/zinc/74/07/40/359740740.db2.gz YIDYOOHCMZXYOM-SECBINFHSA-N 1 2 233.271 0.773 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450897023 202303198 /nfs/dbraw/zinc/30/31/98/202303198.db2.gz PRLPDESCBYXKMN-BDAKNGLRSA-N 1 2 241.291 0.726 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450897023 202303200 /nfs/dbraw/zinc/30/32/00/202303200.db2.gz PRLPDESCBYXKMN-BDAKNGLRSA-N 1 2 241.291 0.726 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)nc1 ZINC000578376352 366544814 /nfs/dbraw/zinc/54/48/14/366544814.db2.gz ZDNVWUIGMIBGPO-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)nc1 ZINC000578376352 366544820 /nfs/dbraw/zinc/54/48/20/366544820.db2.gz ZDNVWUIGMIBGPO-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO COCc1cc(C[N@H+](C)CCNC(C)=O)no1 ZINC000578360343 366538225 /nfs/dbraw/zinc/53/82/25/366538225.db2.gz CZKZBZPRABCZOG-UHFFFAOYSA-N 1 2 241.291 0.389 20 0 BCADLO COCc1cc(C[N@@H+](C)CCNC(C)=O)no1 ZINC000578360343 366538230 /nfs/dbraw/zinc/53/82/30/366538230.db2.gz CZKZBZPRABCZOG-UHFFFAOYSA-N 1 2 241.291 0.389 20 0 BCADLO CNS(=O)(=O)N1CC[NH+](CC=C(C)C)CC1 ZINC000451015700 202332704 /nfs/dbraw/zinc/33/27/04/202332704.db2.gz PHFBGJKIVMAGCV-UHFFFAOYSA-N 1 2 247.364 0.034 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450986303 202327202 /nfs/dbraw/zinc/32/72/02/202327202.db2.gz OHVNSPHQKMPFRQ-IUCAKERBSA-N 1 2 240.307 0.808 20 0 BCADLO CC[C@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450986303 202327206 /nfs/dbraw/zinc/32/72/06/202327206.db2.gz OHVNSPHQKMPFRQ-IUCAKERBSA-N 1 2 240.307 0.808 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCNC1=O)C(C)C ZINC000578495710 366579327 /nfs/dbraw/zinc/57/93/27/366579327.db2.gz VOWMFLYPNYORFU-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612448313 359856402 /nfs/dbraw/zinc/85/64/02/359856402.db2.gz VKHIKFQRPMDDQW-BDAKNGLRSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612448313 359856408 /nfs/dbraw/zinc/85/64/08/359856408.db2.gz VKHIKFQRPMDDQW-BDAKNGLRSA-N 1 2 237.303 0.259 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CC1 ZINC000612455051 359848703 /nfs/dbraw/zinc/84/87/03/359848703.db2.gz JTLVVGJPRIAUCP-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CC1 ZINC000612455051 359848704 /nfs/dbraw/zinc/84/87/04/359848704.db2.gz JTLVVGJPRIAUCP-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H](O)C1CC1 ZINC000612442290 359853245 /nfs/dbraw/zinc/85/32/45/359853245.db2.gz UCVRVUKVKOCORT-GFCCVEGCSA-N 1 2 245.282 0.721 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612447981 359855787 /nfs/dbraw/zinc/85/57/87/359855787.db2.gz STSZFLCCOWQBSH-IVZWLZJFSA-N 1 2 237.303 0.268 20 0 BCADLO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451182039 202370705 /nfs/dbraw/zinc/37/07/05/202370705.db2.gz GLEVHIZSZDNYNG-VIFPVBQESA-N 1 2 245.298 0.656 20 0 BCADLO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451182039 202370709 /nfs/dbraw/zinc/37/07/09/202370709.db2.gz GLEVHIZSZDNYNG-VIFPVBQESA-N 1 2 245.298 0.656 20 0 BCADLO O=C1CCCN1CC[N@H+](C1CC1)C1COC1 ZINC000451133465 202363645 /nfs/dbraw/zinc/36/36/45/202363645.db2.gz ZDICMLNXXVFIGS-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO O=C1CCCN1CC[N@@H+](C1CC1)C1COC1 ZINC000451133465 202363647 /nfs/dbraw/zinc/36/36/47/202363647.db2.gz ZDICMLNXXVFIGS-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO COCCCNC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451132079 202363657 /nfs/dbraw/zinc/36/36/57/202363657.db2.gz VFISBVVSGIHSJH-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO COCCCNC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451132079 202363660 /nfs/dbraw/zinc/36/36/60/202363660.db2.gz VFISBVVSGIHSJH-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000451187184 202373702 /nfs/dbraw/zinc/37/37/02/202373702.db2.gz CPAILWFNYQEOJP-IUCAKERBSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](F)C1 ZINC000451187184 202373707 /nfs/dbraw/zinc/37/37/07/202373707.db2.gz CPAILWFNYQEOJP-IUCAKERBSA-N 1 2 201.241 0.982 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451193303 202375338 /nfs/dbraw/zinc/37/53/38/202375338.db2.gz UPJHYEKYVUQJKZ-SNVBAGLBSA-N 1 2 214.284 0.899 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451193303 202375341 /nfs/dbraw/zinc/37/53/41/202375341.db2.gz UPJHYEKYVUQJKZ-SNVBAGLBSA-N 1 2 214.284 0.899 20 0 BCADLO C[NH+]1CCN(C(=O)C2(O)CCCCC2)CC1 ZINC000086530850 359884657 /nfs/dbraw/zinc/88/46/57/359884657.db2.gz XYBCSFDUQPHXOB-UHFFFAOYSA-N 1 2 226.320 0.456 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628514513 359886803 /nfs/dbraw/zinc/88/68/03/359886803.db2.gz SJDPOTYYKIJHKR-DTORHVGOSA-N 1 2 205.261 0.441 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](O)C1CC1 ZINC000612583185 359895830 /nfs/dbraw/zinc/89/58/30/359895830.db2.gz XFJWAUDTIPUQAT-NSHDSACASA-N 1 2 237.303 0.503 20 0 BCADLO CSC[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000087084076 359895870 /nfs/dbraw/zinc/89/58/70/359895870.db2.gz IXTPRWKZSNHOFR-SNVBAGLBSA-N 1 2 246.376 0.122 20 0 BCADLO CC[N@H+](CC(=O)NCC(F)(F)F)C1COC1 ZINC000451286827 202394991 /nfs/dbraw/zinc/39/49/91/202394991.db2.gz PQDUDHMSAGUBCG-UHFFFAOYSA-N 1 2 240.225 0.386 20 0 BCADLO CC[N@@H+](CC(=O)NCC(F)(F)F)C1COC1 ZINC000451286827 202394992 /nfs/dbraw/zinc/39/49/92/202394992.db2.gz PQDUDHMSAGUBCG-UHFFFAOYSA-N 1 2 240.225 0.386 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCOC1 ZINC000087788286 359929528 /nfs/dbraw/zinc/92/95/28/359929528.db2.gz KJTGGHITCLFCBG-SSDOTTSWSA-N 1 2 219.248 0.564 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC)C1COC1 ZINC000451288940 202398378 /nfs/dbraw/zinc/39/83/78/202398378.db2.gz UUEKSXZOWSYGNM-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)C1COC1 ZINC000451288940 202398381 /nfs/dbraw/zinc/39/83/81/202398381.db2.gz UUEKSXZOWSYGNM-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[N@H+](CC(=O)NCC(C)C)C1COC1 ZINC000451290770 202398536 /nfs/dbraw/zinc/39/85/36/202398536.db2.gz ZBHGYBLJDRSUME-UHFFFAOYSA-N 1 2 214.309 0.479 20 0 BCADLO CC[N@@H+](CC(=O)NCC(C)C)C1COC1 ZINC000451290770 202398540 /nfs/dbraw/zinc/39/85/40/202398540.db2.gz ZBHGYBLJDRSUME-UHFFFAOYSA-N 1 2 214.309 0.479 20 0 BCADLO CC[N@H+](CC(=O)NCc1ccco1)C1COC1 ZINC000451284110 202392736 /nfs/dbraw/zinc/39/27/36/202392736.db2.gz JMZJOTVSNUWWOG-UHFFFAOYSA-N 1 2 238.287 0.617 20 0 BCADLO CC[N@@H+](CC(=O)NCc1ccco1)C1COC1 ZINC000451284110 202392740 /nfs/dbraw/zinc/39/27/40/202392740.db2.gz JMZJOTVSNUWWOG-UHFFFAOYSA-N 1 2 238.287 0.617 20 0 BCADLO CC[N@H+](CC(=O)N(C)C(C)C)C1COC1 ZINC000451285526 202393458 /nfs/dbraw/zinc/39/34/58/202393458.db2.gz NIJNTXBBVSRKQA-UHFFFAOYSA-N 1 2 214.309 0.574 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C(C)C)C1COC1 ZINC000451285526 202393461 /nfs/dbraw/zinc/39/34/61/202393461.db2.gz NIJNTXBBVSRKQA-UHFFFAOYSA-N 1 2 214.309 0.574 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000088077855 359936539 /nfs/dbraw/zinc/93/65/39/359936539.db2.gz YSFGMYGLFUJLLR-ZJUUUORDSA-N 1 2 247.335 0.656 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000088077855 359936543 /nfs/dbraw/zinc/93/65/43/359936543.db2.gz YSFGMYGLFUJLLR-ZJUUUORDSA-N 1 2 247.335 0.656 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000612637019 359958541 /nfs/dbraw/zinc/95/85/41/359958541.db2.gz WRGYMYKRIJTLFZ-BBBLOLIVSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn2ccccc2n1 ZINC000088753611 359976323 /nfs/dbraw/zinc/97/63/23/359976323.db2.gz OMWHEIBBCOZLKB-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn2ccccc2n1 ZINC000088753611 359976327 /nfs/dbraw/zinc/97/63/27/359976327.db2.gz OMWHEIBBCOZLKB-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000088759461 359977500 /nfs/dbraw/zinc/97/75/00/359977500.db2.gz RAJJDDPUYFXTDA-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000088759461 359977502 /nfs/dbraw/zinc/97/75/02/359977502.db2.gz RAJJDDPUYFXTDA-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ncc[nH]1 ZINC000612697034 360012337 /nfs/dbraw/zinc/01/23/37/360012337.db2.gz WWHHCUJJNCAEOC-SSDOTTSWSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ncc[nH]1 ZINC000612697034 360012340 /nfs/dbraw/zinc/01/23/40/360012340.db2.gz WWHHCUJJNCAEOC-SSDOTTSWSA-N 1 2 231.259 0.420 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678743 360033550 /nfs/dbraw/zinc/03/35/50/360033550.db2.gz WMSBWFJWIYLKAS-JTQLQIEISA-N 1 2 240.347 0.700 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CC2(CC2)C1 ZINC000612746963 360040472 /nfs/dbraw/zinc/04/04/72/360040472.db2.gz HTADXTAYDKDTOV-GFCCVEGCSA-N 1 2 249.358 0.293 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084974 360101488 /nfs/dbraw/zinc/10/14/88/360101488.db2.gz PSAFFSZEOYMXJZ-UHFFFAOYSA-N 1 2 249.305 0.395 20 0 BCADLO CCNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084974 360101490 /nfs/dbraw/zinc/10/14/90/360101490.db2.gz PSAFFSZEOYMXJZ-UHFFFAOYSA-N 1 2 249.305 0.395 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008538 360052798 /nfs/dbraw/zinc/05/27/98/360052798.db2.gz ROGPYGZSQLALIN-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008538 360052801 /nfs/dbraw/zinc/05/28/01/360052801.db2.gz ROGPYGZSQLALIN-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678610 360082826 /nfs/dbraw/zinc/08/28/26/360082826.db2.gz CHEZRIGTNUDCRH-SECBINFHSA-N 1 2 224.308 0.444 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678610 360082830 /nfs/dbraw/zinc/08/28/30/360082830.db2.gz CHEZRIGTNUDCRH-SECBINFHSA-N 1 2 224.308 0.444 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC=CCC1 ZINC000090698845 360084432 /nfs/dbraw/zinc/08/44/32/360084432.db2.gz KABOZMTUIAWHCS-OLZOCXBDSA-N 1 2 249.358 0.459 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1Cc1cnnn1C ZINC000091980209 360140261 /nfs/dbraw/zinc/14/02/61/360140261.db2.gz MWWNSPINEPXCMA-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@@H]1COCC[N@H+]1Cc1cnnn1C ZINC000091980209 360140263 /nfs/dbraw/zinc/14/02/63/360140263.db2.gz MWWNSPINEPXCMA-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO NC(=O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000105999038 181299938 /nfs/dbraw/zinc/29/99/38/181299938.db2.gz YLPPMCRDGJWRNE-UHFFFAOYSA-N 1 2 231.259 0.489 20 0 BCADLO O=c1[nH]nc(C[NH+](CC2CC2)CC2CC2)[nH]1 ZINC000091621082 360121018 /nfs/dbraw/zinc/12/10/18/360121018.db2.gz RDQJVURGUSTFMN-UHFFFAOYSA-N 1 2 222.292 0.720 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612920751 360181658 /nfs/dbraw/zinc/18/16/58/360181658.db2.gz KYAZNDXNRKJPGC-DTWKUNHWSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612920751 360181660 /nfs/dbraw/zinc/18/16/60/360181660.db2.gz KYAZNDXNRKJPGC-DTWKUNHWSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618598 360186359 /nfs/dbraw/zinc/18/63/59/360186359.db2.gz FEFVEWKOXFYWPG-YUMQZZPRSA-N 1 2 210.281 0.861 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCCO1 ZINC000092617889 360186616 /nfs/dbraw/zinc/18/66/16/360186616.db2.gz KVIXDQZQRBXMNU-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCCO1 ZINC000092617889 360186619 /nfs/dbraw/zinc/18/66/19/360186619.db2.gz KVIXDQZQRBXMNU-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO O=C(NC1(CO)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612914624 360188725 /nfs/dbraw/zinc/18/87/25/360188725.db2.gz APHKXXZAVVCHRQ-SECBINFHSA-N 1 2 235.287 0.087 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000613021690 360289008 /nfs/dbraw/zinc/28/90/08/360289008.db2.gz SZMUUPWXHMBHLC-VIFPVBQESA-N 1 2 237.303 0.333 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000094866267 360324347 /nfs/dbraw/zinc/32/43/47/360324347.db2.gz FAQSFTVNDWUJSJ-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000094866267 360324351 /nfs/dbraw/zinc/32/43/51/360324351.db2.gz FAQSFTVNDWUJSJ-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C)CC1 ZINC000058875424 360373139 /nfs/dbraw/zinc/37/31/39/360373139.db2.gz HYHLKXKMNVQALK-UHFFFAOYSA-N 1 2 227.352 0.492 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C)CC1 ZINC000058875424 360373146 /nfs/dbraw/zinc/37/31/46/360373146.db2.gz HYHLKXKMNVQALK-UHFFFAOYSA-N 1 2 227.352 0.492 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613130949 360404282 /nfs/dbraw/zinc/40/42/82/360404282.db2.gz BBCLVSIGZHPVQL-SECBINFHSA-N 1 2 235.287 0.541 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000514863624 360416499 /nfs/dbraw/zinc/41/64/99/360416499.db2.gz UWYZKTXYYMVJFQ-BDAKNGLRSA-N 1 2 209.249 0.177 20 0 BCADLO COC[C@](C)(O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000309487552 491149601 /nfs/dbraw/zinc/14/96/01/491149601.db2.gz VYUGMVVQNRVFSJ-LDYMZIIASA-N 1 2 227.308 0.766 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000138308887 360553729 /nfs/dbraw/zinc/55/37/29/360553729.db2.gz KNCYEQJLQCZAQZ-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000138308887 360553734 /nfs/dbraw/zinc/55/37/34/360553734.db2.gz KNCYEQJLQCZAQZ-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCO2 ZINC000628790020 360654394 /nfs/dbraw/zinc/65/43/94/360654394.db2.gz MVECHGOHAICHKJ-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@H](O)C(F)F ZINC000634000088 360723110 /nfs/dbraw/zinc/72/31/10/360723110.db2.gz MPDNQWUACVULIG-QMMMGPOBSA-N 1 2 247.245 0.406 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000628912374 360744808 /nfs/dbraw/zinc/74/48/08/360744808.db2.gz UHEYZXIYGKQCND-NOOOWODRSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000628912374 360744811 /nfs/dbraw/zinc/74/48/11/360744811.db2.gz UHEYZXIYGKQCND-NOOOWODRSA-N 1 2 238.331 0.479 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)co1 ZINC000628914241 360746196 /nfs/dbraw/zinc/74/61/96/360746196.db2.gz HGWXZHKLQSOOPH-LLVKDONJSA-N 1 2 238.287 0.648 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)co1 ZINC000628914241 360746201 /nfs/dbraw/zinc/74/62/01/360746201.db2.gz HGWXZHKLQSOOPH-LLVKDONJSA-N 1 2 238.287 0.648 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000628913704 360746245 /nfs/dbraw/zinc/74/62/45/360746245.db2.gz VNPDPVDZGWXIHA-GVXVVHGQSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000628913704 360746250 /nfs/dbraw/zinc/74/62/50/360746250.db2.gz VNPDPVDZGWXIHA-GVXVVHGQSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCF ZINC000628911831 360747866 /nfs/dbraw/zinc/74/78/66/360747866.db2.gz NFKFOWFZVROMIR-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCF ZINC000628911831 360747869 /nfs/dbraw/zinc/74/78/69/360747869.db2.gz NFKFOWFZVROMIR-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cccnc1 ZINC000628916669 360748042 /nfs/dbraw/zinc/74/80/42/360748042.db2.gz FMPNEGRGRVDUGW-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cccnc1 ZINC000628916669 360748046 /nfs/dbraw/zinc/74/80/46/360748046.db2.gz FMPNEGRGRVDUGW-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO CO[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000628914797 360748521 /nfs/dbraw/zinc/74/85/21/360748521.db2.gz MLXYHXJMIGVFSL-GHMZBOCLSA-N 1 2 244.335 0.104 20 0 BCADLO CO[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C(C)C ZINC000628914797 360748522 /nfs/dbraw/zinc/74/85/22/360748522.db2.gz MLXYHXJMIGVFSL-GHMZBOCLSA-N 1 2 244.335 0.104 20 0 BCADLO CCCCOCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915769 360750041 /nfs/dbraw/zinc/75/00/41/360750041.db2.gz DUNRGWXOOFOYJF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCCOCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915769 360750043 /nfs/dbraw/zinc/75/00/43/360750043.db2.gz DUNRGWXOOFOYJF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000628915497 360750343 /nfs/dbraw/zinc/75/03/43/360750343.db2.gz WYVHECGEZUWKHR-SFYZADRCSA-N 1 2 234.246 0.088 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000628915497 360750346 /nfs/dbraw/zinc/75/03/46/360750346.db2.gz WYVHECGEZUWKHR-SFYZADRCSA-N 1 2 234.246 0.088 20 0 BCADLO Cc1cnccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915321 360750566 /nfs/dbraw/zinc/75/05/66/360750566.db2.gz WGGUDVHXSYSRJU-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cnccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915321 360750569 /nfs/dbraw/zinc/75/05/69/360750569.db2.gz WGGUDVHXSYSRJU-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC000628916002 360751811 /nfs/dbraw/zinc/75/18/11/360751811.db2.gz AZRTUJUQFMANMI-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC000628916002 360751815 /nfs/dbraw/zinc/75/18/15/360751815.db2.gz AZRTUJUQFMANMI-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000628921458 360753720 /nfs/dbraw/zinc/75/37/20/360753720.db2.gz ZTDVIAFSJKDCPY-KOLCDFICSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000628921458 360753725 /nfs/dbraw/zinc/75/37/25/360753725.db2.gz ZTDVIAFSJKDCPY-KOLCDFICSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CCCC1 ZINC000628921453 360753916 /nfs/dbraw/zinc/75/39/16/360753916.db2.gz ZSEADZUYYBMWGE-LLVKDONJSA-N 1 2 224.304 0.544 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=CCCC1 ZINC000628921453 360753926 /nfs/dbraw/zinc/75/39/26/360753926.db2.gz ZSEADZUYYBMWGE-LLVKDONJSA-N 1 2 224.304 0.544 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000628921457 360754530 /nfs/dbraw/zinc/75/45/30/360754530.db2.gz ZTDVIAFSJKDCPY-GXSJLCMTSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000628921457 360754533 /nfs/dbraw/zinc/75/45/33/360754533.db2.gz ZTDVIAFSJKDCPY-GXSJLCMTSA-N 1 2 226.320 0.479 20 0 BCADLO COCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922682 360755555 /nfs/dbraw/zinc/75/55/55/360755555.db2.gz QIQZUXCVXBMEBY-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922682 360755559 /nfs/dbraw/zinc/75/55/59/360755559.db2.gz QIQZUXCVXBMEBY-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922741 360755894 /nfs/dbraw/zinc/75/58/94/360755894.db2.gz OEVCJZWRXFOQNC-NXEZZACHSA-N 1 2 214.309 0.479 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922741 360755898 /nfs/dbraw/zinc/75/58/98/360755898.db2.gz OEVCJZWRXFOQNC-NXEZZACHSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628924085 360756415 /nfs/dbraw/zinc/75/64/15/360756415.db2.gz ZCRZSDFNPDWADI-SECBINFHSA-N 1 2 200.282 0.089 20 0 BCADLO CC(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628924085 360756417 /nfs/dbraw/zinc/75/64/17/360756417.db2.gz ZCRZSDFNPDWADI-SECBINFHSA-N 1 2 200.282 0.089 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1 ZINC000628926626 360757866 /nfs/dbraw/zinc/75/78/66/360757866.db2.gz VEAIKIBYDFJUDZ-NSHDSACASA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1 ZINC000628926626 360757873 /nfs/dbraw/zinc/75/78/73/360757873.db2.gz VEAIKIBYDFJUDZ-NSHDSACASA-N 1 2 235.287 0.142 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC000628925084 360757973 /nfs/dbraw/zinc/75/79/73/360757973.db2.gz FPAAIQAADSUXSD-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC000628925084 360757978 /nfs/dbraw/zinc/75/79/78/360757978.db2.gz FPAAIQAADSUXSD-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CC(C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628926152 360758160 /nfs/dbraw/zinc/75/81/60/360758160.db2.gz PRFMZOLGNHUXEH-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628926152 360758167 /nfs/dbraw/zinc/75/81/67/360758167.db2.gz PRFMZOLGNHUXEH-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000628925167 360758205 /nfs/dbraw/zinc/75/82/05/360758205.db2.gz HUIFYHFIKUNXKQ-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000628925167 360758208 /nfs/dbraw/zinc/75/82/08/360758208.db2.gz HUIFYHFIKUNXKQ-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC000628925866 360758451 /nfs/dbraw/zinc/75/84/51/360758451.db2.gz NPSQSEBBMKENIY-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC000628925866 360758452 /nfs/dbraw/zinc/75/84/52/360758452.db2.gz NPSQSEBBMKENIY-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO C/C=C\CNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000629036657 360803770 /nfs/dbraw/zinc/80/37/70/360803770.db2.gz WYRKGSBBSGJOEY-ATPLWMGHSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C\CNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000629036657 360803773 /nfs/dbraw/zinc/80/37/73/360803773.db2.gz WYRKGSBBSGJOEY-ATPLWMGHSA-N 1 2 212.293 0.399 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000634034169 360780109 /nfs/dbraw/zinc/78/01/09/360780109.db2.gz XQTFMQABNLZWNW-POZPLHJXSA-N 1 2 237.303 0.943 20 0 BCADLO COCC(=O)NCCNc1cccc[nH+]1 ZINC000063705982 360842619 /nfs/dbraw/zinc/84/26/19/360842619.db2.gz NSXDAXMABRYODZ-UHFFFAOYSA-N 1 2 209.249 0.256 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629130336 360894392 /nfs/dbraw/zinc/89/43/92/360894392.db2.gz IKFQQLLDDDJGLY-VXGBXAGGSA-N 1 2 249.314 0.957 20 0 BCADLO CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)COC1 ZINC000634190414 361026521 /nfs/dbraw/zinc/02/65/21/361026521.db2.gz MEUUFKBZSZUMGG-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO CC(C)N(C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578331 361037120 /nfs/dbraw/zinc/03/71/20/361037120.db2.gz SMOQIXQVTFMCCO-SNVBAGLBSA-N 1 2 229.324 0.055 20 0 BCADLO CC(C)N(C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578331 361037124 /nfs/dbraw/zinc/03/71/24/361037124.db2.gz SMOQIXQVTFMCCO-SNVBAGLBSA-N 1 2 229.324 0.055 20 0 BCADLO Cc1nccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000640352959 361088551 /nfs/dbraw/zinc/08/85/51/361088551.db2.gz LMDQNOLLKZOBRP-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474982 361246161 /nfs/dbraw/zinc/24/61/61/361246161.db2.gz DFPBQZHVGRMDBS-ONGXEEELSA-N 1 2 207.277 0.470 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474982 361246167 /nfs/dbraw/zinc/24/61/67/361246167.db2.gz DFPBQZHVGRMDBS-ONGXEEELSA-N 1 2 207.277 0.470 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640479133 361249094 /nfs/dbraw/zinc/24/90/94/361249094.db2.gz XQFIIFHRXFIWDL-LAEOZQHASA-N 1 2 223.276 0.760 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640479133 361249099 /nfs/dbraw/zinc/24/90/99/361249099.db2.gz XQFIIFHRXFIWDL-LAEOZQHASA-N 1 2 223.276 0.760 20 0 BCADLO CCn1nccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000640421870 361212199 /nfs/dbraw/zinc/21/21/99/361212199.db2.gz WQMPNRNNELGMKX-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO CC(C)(C)c1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640472764 361241427 /nfs/dbraw/zinc/24/14/27/361241427.db2.gz CYFGOIXXVRRZQB-PRHODGIISA-N 1 2 237.303 0.934 20 0 BCADLO CC(C)(C)c1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640472764 361241430 /nfs/dbraw/zinc/24/14/30/361241430.db2.gz CYFGOIXXVRRZQB-PRHODGIISA-N 1 2 237.303 0.934 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640483933 361274136 /nfs/dbraw/zinc/27/41/36/361274136.db2.gz YFCZTTKKXDDNTG-SKWCMTHISA-N 1 2 225.317 0.974 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640483933 361274138 /nfs/dbraw/zinc/27/41/38/361274138.db2.gz YFCZTTKKXDDNTG-SKWCMTHISA-N 1 2 225.317 0.974 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC000640487674 361279872 /nfs/dbraw/zinc/27/98/72/361279872.db2.gz RQNFUCATCBMJOK-CABZTGNLSA-N 1 2 235.287 0.589 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC000640487674 361279876 /nfs/dbraw/zinc/27/98/76/361279876.db2.gz RQNFUCATCBMJOK-CABZTGNLSA-N 1 2 235.287 0.589 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC000640489358 361283035 /nfs/dbraw/zinc/28/30/35/361283035.db2.gz XGLIQGUIZZSCMU-CABZTGNLSA-N 1 2 234.303 0.181 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC000640489358 361283039 /nfs/dbraw/zinc/28/30/39/361283039.db2.gz XGLIQGUIZZSCMU-CABZTGNLSA-N 1 2 234.303 0.181 20 0 BCADLO CO[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000579003153 366692616 /nfs/dbraw/zinc/69/26/16/366692616.db2.gz YGZLTPBUELQCOL-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC000640478369 361254697 /nfs/dbraw/zinc/25/46/97/361254697.db2.gz ATVGVKZAYLBROP-ZWNOBZJWSA-N 1 2 248.330 0.571 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC000640478369 361254700 /nfs/dbraw/zinc/25/47/00/361254700.db2.gz ATVGVKZAYLBROP-ZWNOBZJWSA-N 1 2 248.330 0.571 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000640479174 361259941 /nfs/dbraw/zinc/25/99/41/361259941.db2.gz XTWRDKLOUCFEHZ-BXKDBHETSA-N 1 2 247.254 0.896 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000640479174 361259943 /nfs/dbraw/zinc/25/99/43/361259943.db2.gz XTWRDKLOUCFEHZ-BXKDBHETSA-N 1 2 247.254 0.896 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)on1 ZINC000640486525 361272234 /nfs/dbraw/zinc/27/22/34/361272234.db2.gz MMDHNLDTYAECOF-KWQFWETISA-N 1 2 222.244 0.444 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)on1 ZINC000640486525 361272240 /nfs/dbraw/zinc/27/22/40/361272240.db2.gz MMDHNLDTYAECOF-KWQFWETISA-N 1 2 222.244 0.444 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CCC(C)C)[C@@H](C)O ZINC000579122096 366716285 /nfs/dbraw/zinc/71/62/85/366716285.db2.gz NPUCNYYLPBPAKH-OUAUKWLOSA-N 1 2 247.335 0.296 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CC(C)(C)O ZINC000579023988 366698502 /nfs/dbraw/zinc/69/85/02/366698502.db2.gz GASNOYWLSJIZQN-UHFFFAOYSA-N 1 2 225.292 0.680 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000428294859 201005525 /nfs/dbraw/zinc/00/55/25/201005525.db2.gz NUMJJZJOONIASG-MWLCHTKSSA-N 1 2 234.303 0.666 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000428294859 201005528 /nfs/dbraw/zinc/00/55/28/201005528.db2.gz NUMJJZJOONIASG-MWLCHTKSSA-N 1 2 234.303 0.666 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000579234206 366740583 /nfs/dbraw/zinc/74/05/83/366740583.db2.gz RJVALQMVXPAJPL-CBAPKCEASA-N 1 2 243.332 0.372 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000579234205 366740813 /nfs/dbraw/zinc/74/08/13/366740813.db2.gz RJVALQMVXPAJPL-APPZFPTMSA-N 1 2 243.332 0.372 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000428491255 201024317 /nfs/dbraw/zinc/02/43/17/201024317.db2.gz UERLSXQZBQGJRW-YIZRAAEISA-N 1 2 200.282 0.230 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000428491255 201024320 /nfs/dbraw/zinc/02/43/20/201024320.db2.gz UERLSXQZBQGJRW-YIZRAAEISA-N 1 2 200.282 0.230 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)ncn1 ZINC000428494728 201026168 /nfs/dbraw/zinc/02/61/68/201026168.db2.gz ONADXBBGVUKFBE-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)ncn1 ZINC000428494728 201026171 /nfs/dbraw/zinc/02/61/71/201026171.db2.gz ONADXBBGVUKFBE-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)[nH]2)CC[C@H]1C ZINC000428500276 201026662 /nfs/dbraw/zinc/02/66/62/201026662.db2.gz YPYNADHJZMWCFD-SCZZXKLOSA-N 1 2 224.308 0.970 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)CC[C@H]1C ZINC000428500276 201026664 /nfs/dbraw/zinc/02/66/64/201026664.db2.gz YPYNADHJZMWCFD-SCZZXKLOSA-N 1 2 224.308 0.970 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000332994179 361322420 /nfs/dbraw/zinc/32/24/20/361322420.db2.gz CNRIHPWCVDDKAB-GWCFXTLKSA-N 1 2 249.314 0.883 20 0 BCADLO CNC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428939964 201050472 /nfs/dbraw/zinc/05/04/72/201050472.db2.gz OFVLGUOZWLDXFW-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC[N@H+]1[C@H](C)CN(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000640617589 361334303 /nfs/dbraw/zinc/33/43/03/361334303.db2.gz PPIMSUQTEJXVLQ-AOOOYVTPSA-N 1 2 236.319 0.964 20 0 BCADLO CC[N@@H+]1[C@H](C)CN(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000640617589 361334306 /nfs/dbraw/zinc/33/43/06/361334306.db2.gz PPIMSUQTEJXVLQ-AOOOYVTPSA-N 1 2 236.319 0.964 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCc1nnc[nH]1 ZINC000429102361 201069211 /nfs/dbraw/zinc/06/92/11/201069211.db2.gz KULYDIJJPOGGIY-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429118531 201069318 /nfs/dbraw/zinc/06/93/18/201069318.db2.gz SRFUNHRPGPPCND-CBAPKCEASA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429118531 201069322 /nfs/dbraw/zinc/06/93/22/201069322.db2.gz SRFUNHRPGPPCND-CBAPKCEASA-N 1 2 211.265 0.723 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@]1(O)CCOC1 ZINC000614276304 363767815 /nfs/dbraw/zinc/76/78/15/363767815.db2.gz OJKKUYYTBKKDLS-LBPRGKRZSA-N 1 2 247.254 0.424 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)C(C)C ZINC000429132278 201072189 /nfs/dbraw/zinc/07/21/89/201072189.db2.gz ZEAWJCPOVWWYLI-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)C(C)C ZINC000429132278 201072191 /nfs/dbraw/zinc/07/21/91/201072191.db2.gz ZEAWJCPOVWWYLI-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO CC(C)n1cc(C[N@@H+](CCO)C[C@@H](C)O)nn1 ZINC000428947371 201052170 /nfs/dbraw/zinc/05/21/70/201052170.db2.gz OEXIVNJJYCZKKH-SNVBAGLBSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)n1cc(C[N@H+](CCO)C[C@@H](C)O)nn1 ZINC000428947371 201052172 /nfs/dbraw/zinc/05/21/72/201052172.db2.gz OEXIVNJJYCZKKH-SNVBAGLBSA-N 1 2 242.323 0.034 20 0 BCADLO C[C@@H](CC(N)=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276728 363769210 /nfs/dbraw/zinc/76/92/10/363769210.db2.gz VTUOLCOVXLKRIP-QMMMGPOBSA-N 1 2 246.270 0.784 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ncn1 ZINC000428978099 201054395 /nfs/dbraw/zinc/05/43/95/201054395.db2.gz NIEKKNDLJYTPJS-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ncn1 ZINC000428978099 201054398 /nfs/dbraw/zinc/05/43/98/201054398.db2.gz NIEKKNDLJYTPJS-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(C)ncn1 ZINC000429156603 201073143 /nfs/dbraw/zinc/07/31/43/201073143.db2.gz LPKBARLDBZFTCY-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)ncn1 ZINC000429156603 201073145 /nfs/dbraw/zinc/07/31/45/201073145.db2.gz LPKBARLDBZFTCY-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H](C)O)[nH]1 ZINC000428980519 201056258 /nfs/dbraw/zinc/05/62/58/201056258.db2.gz VFCFOSLNXOXNCA-MRVPVSSYSA-N 1 2 212.297 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C[C@@H](C)O)[nH]1 ZINC000428980519 201056259 /nfs/dbraw/zinc/05/62/59/201056259.db2.gz VFCFOSLNXOXNCA-MRVPVSSYSA-N 1 2 212.297 0.741 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](O)C[C@@H]2C)no1 ZINC000429146875 201074333 /nfs/dbraw/zinc/07/43/33/201074333.db2.gz BKBXXYQKBNCRAC-CBAPKCEASA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)no1 ZINC000429146875 201074335 /nfs/dbraw/zinc/07/43/35/201074335.db2.gz BKBXXYQKBNCRAC-CBAPKCEASA-N 1 2 211.265 0.723 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccnn1C ZINC000429155658 201074512 /nfs/dbraw/zinc/07/45/12/201074512.db2.gz JULGNFTWLUTONO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccnn1C ZINC000429155658 201074514 /nfs/dbraw/zinc/07/45/14/201074514.db2.gz JULGNFTWLUTONO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCCCCNC(=O)C[N@H+](CCC)CC(N)=O ZINC000429170417 201076893 /nfs/dbraw/zinc/07/68/93/201076893.db2.gz XMCBSILVXKQRMQ-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO CCCCCNC(=O)C[N@@H+](CCC)CC(N)=O ZINC000429170417 201076895 /nfs/dbraw/zinc/07/68/95/201076895.db2.gz XMCBSILVXKQRMQ-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO C[C@H](CC(=O)Nc1cn(C)nn1)n1cc[nH+]c1 ZINC000579250801 366746085 /nfs/dbraw/zinc/74/60/85/366746085.db2.gz ZRVUBDBHKMONER-MRVPVSSYSA-N 1 2 234.263 0.601 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cs1 ZINC000579283599 366754401 /nfs/dbraw/zinc/75/44/01/366754401.db2.gz NGIDGZLZJMHUNH-KOLCDFICSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cs1 ZINC000579283599 366754407 /nfs/dbraw/zinc/75/44/07/366754407.db2.gz NGIDGZLZJMHUNH-KOLCDFICSA-N 1 2 242.344 0.627 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000579391843 366777171 /nfs/dbraw/zinc/77/71/71/366777171.db2.gz DSUQGTIRMFENJQ-MVWJERBFSA-N 1 2 249.314 0.192 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2Cc3cccc(O)c3C2)[nH]1 ZINC000429321731 201102685 /nfs/dbraw/zinc/10/26/85/201102685.db2.gz ZTIWMZWRTYXRHY-QMMMGPOBSA-N 1 2 246.270 0.473 20 0 BCADLO C[C@H]1CCN(Cc2[nH+]ccn2C)CC[S@]1=O ZINC000429585259 201120834 /nfs/dbraw/zinc/12/08/34/201120834.db2.gz IRKVMBZLCXPRHO-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)ncn1 ZINC000579442492 366800147 /nfs/dbraw/zinc/80/01/47/366800147.db2.gz INTYXMNDTSPNAR-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO Cn1ccc(CCC(=O)NCCn2cc[nH+]c2)n1 ZINC000429843204 201132544 /nfs/dbraw/zinc/13/25/44/201132544.db2.gz SKPXUFXNAIKGIG-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429557120 201113686 /nfs/dbraw/zinc/11/36/86/201113686.db2.gz GJMXPTALPNLPNT-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429557120 201113691 /nfs/dbraw/zinc/11/36/91/201113691.db2.gz GJMXPTALPNLPNT-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)C1(C[NH+]2CCS(=O)CC2)CC1 ZINC000448518886 201161331 /nfs/dbraw/zinc/16/13/31/201161331.db2.gz HBUWUQLVXWLEDX-UHFFFAOYSA-N 1 2 231.317 0.004 20 0 BCADLO CCC[C@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000433192015 201166001 /nfs/dbraw/zinc/16/60/01/201166001.db2.gz JAKGBPXEMNMLRN-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO COC(=O)c1ncn(Cc2c[nH+]ccc2C)n1 ZINC000433377702 201183316 /nfs/dbraw/zinc/18/33/16/201183316.db2.gz WSWVFOOHOWZCAK-UHFFFAOYSA-N 1 2 232.243 0.816 20 0 BCADLO C[NH2+]CCOCC[N@H+](C)Cc1[nH]ncc1C ZINC000629652657 361551368 /nfs/dbraw/zinc/55/13/68/361551368.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 1 2 226.324 0.386 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000629685954 361608343 /nfs/dbraw/zinc/60/83/43/361608343.db2.gz LDUDFSYOUARTCL-KYZUINATSA-N 1 2 209.249 0.177 20 0 BCADLO C[C@@H]1COCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000434762060 201239622 /nfs/dbraw/zinc/23/96/22/201239622.db2.gz FSZSRUUWEDAKHF-MNOVXSKESA-N 1 2 237.303 0.672 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435129528 201252719 /nfs/dbraw/zinc/25/27/19/201252719.db2.gz KGJRALSUUXGDHQ-UHFFFAOYSA-N 1 2 234.259 0.587 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435129528 201252722 /nfs/dbraw/zinc/25/27/22/201252722.db2.gz KGJRALSUUXGDHQ-UHFFFAOYSA-N 1 2 234.259 0.587 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629767079 361690059 /nfs/dbraw/zinc/69/00/59/361690059.db2.gz HDVIDTUMCAOUDB-OPQQBVKSSA-N 1 2 249.314 0.714 20 0 BCADLO COc1nccnc1CNc1ccc(CO)c[nH+]1 ZINC000436472509 201329366 /nfs/dbraw/zinc/32/93/66/201329366.db2.gz YMLFZULGWJFXLG-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO CC[N@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000436154118 201312264 /nfs/dbraw/zinc/31/22/64/201312264.db2.gz QEEDBEFPKAGYFN-UHFFFAOYSA-N 1 2 222.292 0.793 20 0 BCADLO CC[N@@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000436154118 201312266 /nfs/dbraw/zinc/31/22/66/201312266.db2.gz QEEDBEFPKAGYFN-UHFFFAOYSA-N 1 2 222.292 0.793 20 0 BCADLO C[C@H](C(=O)N1C[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000436191407 201312347 /nfs/dbraw/zinc/31/23/47/201312347.db2.gz XUSMJXPDPZVYLR-GRYCIOLGSA-N 1 2 240.347 0.822 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CN1CN=NC1=O ZINC000436254167 201317459 /nfs/dbraw/zinc/31/74/59/201317459.db2.gz PYCHVMWRXIJMNP-UHFFFAOYSA-N 1 2 249.230 0.026 20 0 BCADLO CO[C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000629822151 361720464 /nfs/dbraw/zinc/72/04/64/361720464.db2.gz OGXGWISDUURWMA-PHIMTYICSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)[C@H](O)C(F)(F)F ZINC000631231827 361729027 /nfs/dbraw/zinc/72/90/27/361729027.db2.gz LHGSLZJHIALQBO-FSPLSTOPSA-N 1 2 223.198 0.811 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000438082255 201386179 /nfs/dbraw/zinc/38/61/79/201386179.db2.gz STJRWYZQDIGBCC-HBNTYKKESA-N 1 2 226.320 0.622 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619076078 363903886 /nfs/dbraw/zinc/90/38/86/363903886.db2.gz UGWZDWHQNQSXMJ-MNOVXSKESA-N 1 2 249.314 0.382 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCCCN2)C1 ZINC000614734564 363943600 /nfs/dbraw/zinc/94/36/00/363943600.db2.gz KLZUKPMUMYQDHH-UHFFFAOYSA-N 1 2 211.309 0.455 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCN1 ZINC000614738789 363948368 /nfs/dbraw/zinc/94/83/68/363948368.db2.gz CNHLYZMFMRBWAY-SECBINFHSA-N 1 2 222.292 0.715 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCN1 ZINC000614738789 363948370 /nfs/dbraw/zinc/94/83/70/363948370.db2.gz CNHLYZMFMRBWAY-SECBINFHSA-N 1 2 222.292 0.715 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H](O)C1CC1 ZINC000614702922 363933246 /nfs/dbraw/zinc/93/32/46/363933246.db2.gz LYGVXQUMTBVDPD-ONGXEEELSA-N 1 2 235.287 0.085 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1(CO)CC1 ZINC000614772253 363962934 /nfs/dbraw/zinc/96/29/34/363962934.db2.gz XRFDDHMOMYQZIT-UHFFFAOYSA-N 1 2 223.276 0.244 20 0 BCADLO Cc1nc([C@@H](C)NC(=O)C2([NH+](C)C)CC2)n[nH]1 ZINC000614796018 363974375 /nfs/dbraw/zinc/97/43/75/363974375.db2.gz UAKRCHGYJSHGDI-SSDOTTSWSA-N 1 2 237.307 0.385 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614898670 364042579 /nfs/dbraw/zinc/04/25/79/364042579.db2.gz DGPBXURVTKJJSR-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614898670 364042580 /nfs/dbraw/zinc/04/25/80/364042580.db2.gz DGPBXURVTKJJSR-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO CC(C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000170739914 364103028 /nfs/dbraw/zinc/10/30/28/364103028.db2.gz ARRKFYVXWLMCLV-UHFFFAOYSA-N 1 2 243.351 0.616 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000630389657 364107214 /nfs/dbraw/zinc/10/72/14/364107214.db2.gz YNPRGPAKFHNPEB-UHFFFAOYSA-N 1 2 244.245 0.666 20 0 BCADLO CC[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000630619346 364356729 /nfs/dbraw/zinc/35/67/29/364356729.db2.gz NUXFDLRUMGYPIQ-JTQLQIEISA-N 1 2 221.264 0.294 20 0 BCADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000615039397 364404167 /nfs/dbraw/zinc/40/41/67/364404167.db2.gz KNDWSBFFMAEFOR-URLYPYJESA-N 1 2 233.271 0.118 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC(=O)N(C)C2)[nH+]1 ZINC000080976246 364509792 /nfs/dbraw/zinc/50/97/92/364509792.db2.gz AWJLJXWGYCTNJB-MRVPVSSYSA-N 1 2 245.286 0.909 20 0 BCADLO Cc1conc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000630748082 364534053 /nfs/dbraw/zinc/53/40/53/364534053.db2.gz ZUPYRAIUFBVGGR-SECBINFHSA-N 1 2 234.259 0.998 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865939 364546307 /nfs/dbraw/zinc/54/63/07/364546307.db2.gz QUXZUFGJOZOQAD-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865939 364546313 /nfs/dbraw/zinc/54/63/13/364546313.db2.gz QUXZUFGJOZOQAD-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](NC(=O)[C@@]1(O)CCSC1)c1[nH]cc[nH+]1 ZINC000615157965 364548292 /nfs/dbraw/zinc/54/82/92/364548292.db2.gz HXDMFKCAGOBGTK-GMSGAONNSA-N 1 2 241.316 0.455 20 0 BCADLO CCNC(=O)CCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615160724 364553957 /nfs/dbraw/zinc/55/39/57/364553957.db2.gz JAEALBBFVCRARP-MRVPVSSYSA-N 1 2 238.291 0.503 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615237040 364653140 /nfs/dbraw/zinc/65/31/40/364653140.db2.gz YTPSEWUZJGYQCD-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615237040 364653148 /nfs/dbraw/zinc/65/31/48/364653148.db2.gz YTPSEWUZJGYQCD-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615297334 364678308 /nfs/dbraw/zinc/67/83/08/364678308.db2.gz WQZHVKLSCKTBEQ-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615296967 364678813 /nfs/dbraw/zinc/67/88/13/364678813.db2.gz ULCQVNGTYNANKD-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615296967 364678818 /nfs/dbraw/zinc/67/88/18/364678818.db2.gz ULCQVNGTYNANKD-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)OC ZINC000573566450 364863531 /nfs/dbraw/zinc/86/35/31/364863531.db2.gz BBCFOXNGIIKZOL-RKDXNWHRSA-N 1 2 203.282 0.546 20 0 BCADLO C[C@@H](CC(=O)N=c1nc[nH]n1C)n1cc[nH+]c1 ZINC000573567758 364864188 /nfs/dbraw/zinc/86/41/88/364864188.db2.gz NSZVRBXWWNMREF-QMMMGPOBSA-N 1 2 234.263 0.023 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2Cc3cccc(O)c3C2)n1 ZINC000573829935 364926887 /nfs/dbraw/zinc/92/68/87/364926887.db2.gz HPZCMWQBFQFXNM-VIFPVBQESA-N 1 2 245.286 0.173 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000573855527 364932646 /nfs/dbraw/zinc/93/26/46/364932646.db2.gz KVRKRZOWRHDLGL-VIFPVBQESA-N 1 2 223.276 0.424 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)N1C ZINC000335313644 541422442 /nfs/dbraw/zinc/42/24/42/541422442.db2.gz NZGLZKNHVVFRRJ-JTQLQIEISA-N 1 2 233.271 0.371 20 0 BCADLO CO[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573927340 364948017 /nfs/dbraw/zinc/94/80/17/364948017.db2.gz OKWQMCGEJDBOEW-VHSXEESVSA-N 1 2 225.292 0.985 20 0 BCADLO CO[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573927341 364948061 /nfs/dbraw/zinc/94/80/61/364948061.db2.gz OKWQMCGEJDBOEW-ZJUUUORDSA-N 1 2 225.292 0.985 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573932516 364949657 /nfs/dbraw/zinc/94/96/57/364949657.db2.gz LRVVAUDJJPSFPC-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573932516 364949664 /nfs/dbraw/zinc/94/96/64/364949664.db2.gz LRVVAUDJJPSFPC-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO O=C1C[N@H+](Cc2ncccc2O)CCN1C1CC1 ZINC000574002091 364964728 /nfs/dbraw/zinc/96/47/28/364964728.db2.gz VRTBTZXTWZUCEX-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO O=C1C[N@@H+](Cc2ncccc2O)CCN1C1CC1 ZINC000574002091 364964734 /nfs/dbraw/zinc/96/47/34/364964734.db2.gz VRTBTZXTWZUCEX-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO CCC[C@@H](C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000574186263 365006862 /nfs/dbraw/zinc/00/68/62/365006862.db2.gz NTQGLHCDJOUKBJ-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cnnn1C ZINC000574201922 365009711 /nfs/dbraw/zinc/00/97/11/365009711.db2.gz WHJIBODKIYDVBT-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cnnn1C ZINC000574201922 365009717 /nfs/dbraw/zinc/00/97/17/365009717.db2.gz WHJIBODKIYDVBT-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000574200553 365009840 /nfs/dbraw/zinc/00/98/40/365009840.db2.gz MTGRIOPWZJKMSC-HTRCEHHLSA-N 1 2 229.305 0.294 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1cnns1 ZINC000574347600 365042672 /nfs/dbraw/zinc/04/26/72/365042672.db2.gz DHVZIDDVZVYZMZ-UHFFFAOYSA-N 1 2 238.276 0.593 20 0 BCADLO C[C@@H](CC(=O)NCC1(C)COC1)n1cc[nH+]c1 ZINC000574403901 365054985 /nfs/dbraw/zinc/05/49/85/365054985.db2.gz INYFIXFEFIMYAF-JTQLQIEISA-N 1 2 237.303 0.987 20 0 BCADLO CC[C@](C)(CO)C(=O)NCCc1[nH]cc[nH+]1 ZINC000574463611 365069067 /nfs/dbraw/zinc/06/90/67/365069067.db2.gz SSMYBZZCEZPVPB-LLVKDONJSA-N 1 2 225.292 0.477 20 0 BCADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@@H]1CCNC1=O ZINC000574257279 365019920 /nfs/dbraw/zinc/01/99/20/365019920.db2.gz IONLTXNHVQBNKQ-SECBINFHSA-N 1 2 247.302 0.376 20 0 BCADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@@H]1CCNC1=O ZINC000574257279 365019927 /nfs/dbraw/zinc/01/99/27/365019927.db2.gz IONLTXNHVQBNKQ-SECBINFHSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@@H](CC(=O)NCC(C)(C)O)n1cc[nH+]c1 ZINC000574522970 365081460 /nfs/dbraw/zinc/08/14/60/365081460.db2.gz JOYYVRLICMSOID-VIFPVBQESA-N 1 2 225.292 0.721 20 0 BCADLO C[C@@H](NC(=O)c1coc(C(N)=O)c1)c1[nH]cc[nH+]1 ZINC000574725344 365129673 /nfs/dbraw/zinc/12/96/73/365129673.db2.gz LLNMYFDZPGAFMO-ZCFIWIBFSA-N 1 2 248.242 0.593 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC(=O)N(C)CC ZINC000574871245 365164011 /nfs/dbraw/zinc/16/40/11/365164011.db2.gz AIYXAMDLYRBGKO-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC(=O)N(C)CC ZINC000574871245 365164013 /nfs/dbraw/zinc/16/40/13/365164013.db2.gz AIYXAMDLYRBGKO-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)NCC1([S@@](C)=O)CC1 ZINC000442920355 193002043 /nfs/dbraw/zinc/00/20/43/193002043.db2.gz COATXNLFOZMWNV-XXFAHNHDSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)NCC1([S@@](C)=O)CC1 ZINC000442920355 193002046 /nfs/dbraw/zinc/00/20/46/193002046.db2.gz COATXNLFOZMWNV-XXFAHNHDSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000574772141 365142458 /nfs/dbraw/zinc/14/24/58/365142458.db2.gz ZWBNZISIOAVJSJ-HTQZYQBOSA-N 1 2 221.260 0.956 20 0 BCADLO C[C@@H]1COCCN1CCC[NH+]1CCOCC1 ZINC000157628903 193010203 /nfs/dbraw/zinc/01/02/03/193010203.db2.gz SVZUFUGWYJHNJE-GFCCVEGCSA-N 1 2 228.336 0.429 20 0 BCADLO COC(C)(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000171599430 365221552 /nfs/dbraw/zinc/22/15/52/365221552.db2.gz YMSTZZRSXLNSDN-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO COCCCCCNC(=O)Cc1c[nH+]cn1C ZINC000554540910 325725767 /nfs/dbraw/zinc/72/57/67/325725767.db2.gz BMVWEAVYVSIQCM-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000575071366 365186848 /nfs/dbraw/zinc/18/68/48/365186848.db2.gz WMMSYPKIYMCHOC-AXFHLTTASA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345767 193019259 /nfs/dbraw/zinc/01/92/59/193019259.db2.gz LLBFJMXYRBAJOI-VGMNWLOBSA-N 1 2 240.307 0.492 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345767 193019262 /nfs/dbraw/zinc/01/92/62/193019262.db2.gz LLBFJMXYRBAJOI-VGMNWLOBSA-N 1 2 240.307 0.492 20 0 BCADLO CC[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171417410 365197829 /nfs/dbraw/zinc/19/78/29/365197829.db2.gz SDKMZZHQRWJAMN-NSHDSACASA-N 1 2 228.336 0.823 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)[C@H](C)OC)CC1 ZINC000171861382 365248784 /nfs/dbraw/zinc/24/87/84/365248784.db2.gz MKKAULOCCHKQFE-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC000622272341 370811570 /nfs/dbraw/zinc/81/15/70/370811570.db2.gz VHAJHEMWBBJPPJ-UHFFFAOYSA-N 1 2 249.318 0.076 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC1(F)F ZINC000622275471 370816511 /nfs/dbraw/zinc/81/65/11/370816511.db2.gz FOHMRSVNWVBIQC-MRVPVSSYSA-N 1 2 234.246 0.090 20 0 BCADLO CCCC[N@H+](CCO)Cc1nc(COC)no1 ZINC000182220516 366876510 /nfs/dbraw/zinc/87/65/10/366876510.db2.gz KBVACVUOEWZEBJ-UHFFFAOYSA-N 1 2 243.307 0.810 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nc(COC)no1 ZINC000182220516 366876517 /nfs/dbraw/zinc/87/65/17/366876517.db2.gz KBVACVUOEWZEBJ-UHFFFAOYSA-N 1 2 243.307 0.810 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1cncc(O)c1 ZINC000576052255 365466447 /nfs/dbraw/zinc/46/64/47/365466447.db2.gz DNXDAVOFIGWWPI-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CCOC2 ZINC000576022562 365452924 /nfs/dbraw/zinc/45/29/24/365452924.db2.gz KOBJDLUGXSDQSB-UHFFFAOYSA-N 1 2 221.260 0.132 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccon1 ZINC000576182621 365513727 /nfs/dbraw/zinc/51/37/27/365513727.db2.gz UPQFDVGMEHJJOB-MRVPVSSYSA-N 1 2 220.232 0.749 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC12CC2 ZINC000622275892 370817439 /nfs/dbraw/zinc/81/74/39/370817439.db2.gz VYRONCLXTFOKDF-JTQLQIEISA-N 1 2 224.304 0.235 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@H]1CC(=O)NC1=O ZINC000579727506 366993724 /nfs/dbraw/zinc/99/37/24/366993724.db2.gz NXTUHYJXOMPAMQ-ZETCQYMHSA-N 1 2 239.300 0.298 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@H]1CC(=O)NC1=O ZINC000579727506 366993727 /nfs/dbraw/zinc/99/37/27/366993727.db2.gz NXTUHYJXOMPAMQ-ZETCQYMHSA-N 1 2 239.300 0.298 20 0 BCADLO CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000579740624 367000896 /nfs/dbraw/zinc/00/08/96/367000896.db2.gz IXWIKPNSNYNAMW-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579977188 367112373 /nfs/dbraw/zinc/11/23/73/367112373.db2.gz ZULFKAUTPGLDQH-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO CCc1nc(CN2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000185163909 367123412 /nfs/dbraw/zinc/12/34/12/367123412.db2.gz DOHXFYOLAKPKBD-UHFFFAOYSA-N 1 2 237.351 0.893 20 0 BCADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1nncn1C ZINC000185319734 367128212 /nfs/dbraw/zinc/12/82/12/367128212.db2.gz OGQHZBUYQCUVKI-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1nncn1C ZINC000185319734 367128217 /nfs/dbraw/zinc/12/82/17/367128217.db2.gz OGQHZBUYQCUVKI-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO CC[C@@]1(CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000580026310 367138334 /nfs/dbraw/zinc/13/83/34/367138334.db2.gz REXFUSKVDBNZHK-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cc[nH]n2)C(C)(C)C1 ZINC000184727663 367092293 /nfs/dbraw/zinc/09/22/93/367092293.db2.gz YRWMHMPNKFRLEC-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cc[nH]n2)C(C)(C)C1 ZINC000184727663 367092298 /nfs/dbraw/zinc/09/22/98/367092298.db2.gz YRWMHMPNKFRLEC-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000565108665 325856719 /nfs/dbraw/zinc/85/67/19/325856719.db2.gz JBBKEONMJVJSEM-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnn2c1CCC2 ZINC000622308051 370835806 /nfs/dbraw/zinc/83/58/06/370835806.db2.gz TVYFCKBCHGFZFT-UHFFFAOYSA-N 1 2 245.286 0.456 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000622307697 370835907 /nfs/dbraw/zinc/83/59/07/370835907.db2.gz JEDABZGTQRGPBL-SECBINFHSA-N 1 2 205.261 0.799 20 0 BCADLO C[C@@H](O)C[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193386957 367172781 /nfs/dbraw/zinc/17/27/81/367172781.db2.gz AXHJCPUBVJAUTM-MWLCHTKSSA-N 1 2 225.292 0.381 20 0 BCADLO Cc1ccn(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000622309361 370836980 /nfs/dbraw/zinc/83/69/80/370836980.db2.gz OAWFLSPCPAJOCJ-NSHDSACASA-N 1 2 247.302 0.593 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000622309152 370837250 /nfs/dbraw/zinc/83/72/50/370837250.db2.gz FLHOURJZDWNLKB-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@H]1O ZINC000580815394 367175879 /nfs/dbraw/zinc/17/58/79/367175879.db2.gz NUAZNAALOVIIMQ-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1O ZINC000580815394 367175883 /nfs/dbraw/zinc/17/58/83/367175883.db2.gz NUAZNAALOVIIMQ-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)CC[S@]1=O ZINC000580825736 367177061 /nfs/dbraw/zinc/17/70/61/367177061.db2.gz GCHFEZBLSYCVRV-XXFAHNHDSA-N 1 2 240.328 0.740 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CC[S@]1=O ZINC000580825736 367177064 /nfs/dbraw/zinc/17/70/64/367177064.db2.gz GCHFEZBLSYCVRV-XXFAHNHDSA-N 1 2 240.328 0.740 20 0 BCADLO COCc1nsc(NC[C@H](C)[NH+](C)C)n1 ZINC000380248478 367158936 /nfs/dbraw/zinc/15/89/36/367158936.db2.gz ORRSMPHANRKRMH-ZETCQYMHSA-N 1 2 230.337 0.468 20 0 BCADLO Cc1cnccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000580874317 367193026 /nfs/dbraw/zinc/19/30/26/367193026.db2.gz ZFTXPOROQRCYFI-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCCn2nccc21 ZINC000622344880 370858070 /nfs/dbraw/zinc/85/80/70/370858070.db2.gz IWMHGWHPIVZQNE-UHFFFAOYSA-N 1 2 245.286 0.976 20 0 BCADLO OCC[N@H+](Cc1cccnc1)Cc1cnccn1 ZINC000581167102 367281107 /nfs/dbraw/zinc/28/11/07/367281107.db2.gz UIBGBYBNIHPVLO-UHFFFAOYSA-N 1 2 244.298 0.866 20 0 BCADLO OCC[N@@H+](Cc1cccnc1)Cc1cnccn1 ZINC000581167102 367281114 /nfs/dbraw/zinc/28/11/14/367281114.db2.gz UIBGBYBNIHPVLO-UHFFFAOYSA-N 1 2 244.298 0.866 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000581261579 367314049 /nfs/dbraw/zinc/31/40/49/367314049.db2.gz IRQXYPAUGKNYKG-NXEZZACHSA-N 1 2 228.336 0.868 20 0 BCADLO CCn1ccnc1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000381453911 367407914 /nfs/dbraw/zinc/40/79/14/367407914.db2.gz INVGKIUJKRTFEV-VIFPVBQESA-N 1 2 245.348 0.426 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000382224926 367500193 /nfs/dbraw/zinc/50/01/93/367500193.db2.gz NZHQJMQAZBNOGR-DTWKUNHWSA-N 1 2 229.276 0.481 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000383120707 367598331 /nfs/dbraw/zinc/59/83/31/367598331.db2.gz BNDXKFPUXQCFGR-WDEREUQCSA-N 1 2 247.335 0.120 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000581571627 367599822 /nfs/dbraw/zinc/59/98/22/367599822.db2.gz VIYWLFHKTUMEJA-GHMZBOCLSA-N 1 2 239.319 0.078 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000581571627 367599829 /nfs/dbraw/zinc/59/98/29/367599829.db2.gz VIYWLFHKTUMEJA-GHMZBOCLSA-N 1 2 239.319 0.078 20 0 BCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000383580665 367640481 /nfs/dbraw/zinc/64/04/81/367640481.db2.gz LUHPZSAYSWSSBT-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1(CF)CCC1 ZINC000565894978 325971097 /nfs/dbraw/zinc/97/10/97/325971097.db2.gz NRVBAQMQXSYLFR-UHFFFAOYSA-N 1 2 211.240 0.892 20 0 BCADLO C[C@@H](O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000384026268 367667989 /nfs/dbraw/zinc/66/79/89/367667989.db2.gz RXXJWLVBMDMQSV-SNVBAGLBSA-N 1 2 237.303 0.503 20 0 BCADLO COCC1(O)CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000384068685 367671017 /nfs/dbraw/zinc/67/10/17/367671017.db2.gz NUMPPIYSDSFZMB-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO Cc1cn(C)nc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000622364134 370869704 /nfs/dbraw/zinc/86/97/04/370869704.db2.gz LWFWBTIQGCVBPK-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO C[C@@H](Cc1cnn(C)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000622366629 370870899 /nfs/dbraw/zinc/87/08/99/370870899.db2.gz JJDSAHFCUHZFIM-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384643103 367711605 /nfs/dbraw/zinc/71/16/05/367711605.db2.gz SUJNIAOORCRZDR-UYXSQOIJSA-N 1 2 201.266 0.703 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccsn1 ZINC000622384820 370882484 /nfs/dbraw/zinc/88/24/84/370882484.db2.gz STKXJULEGAQUKG-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccsn1 ZINC000622384820 370882488 /nfs/dbraw/zinc/88/24/88/370882488.db2.gz STKXJULEGAQUKG-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2c1CCC2 ZINC000622366955 370872078 /nfs/dbraw/zinc/87/20/78/370872078.db2.gz WKIHUENMLOKSPX-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO Cc1cn(C)nc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000622372301 370877002 /nfs/dbraw/zinc/87/70/02/370877002.db2.gz IGIKNQYUZGYPLI-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO CC(C)(CO)CCNC(=O)Cn1cc[nH+]c1 ZINC000385854960 367870651 /nfs/dbraw/zinc/87/06/51/367870651.db2.gz YJVXZNAWNVWMTF-UHFFFAOYSA-N 1 2 225.292 0.408 20 0 BCADLO CCC[C@H](C(=O)OCC)[NH+]1CC(C)(C(N)=O)C1 ZINC000566175034 326007445 /nfs/dbraw/zinc/00/74/45/326007445.db2.gz ZFXMXICWQDSUPN-SECBINFHSA-N 1 2 242.319 0.525 20 0 BCADLO CCCOCC(=O)NCc1[nH+]ccn1CC ZINC000385382414 367825243 /nfs/dbraw/zinc/82/52/43/367825243.db2.gz SIJYDSTUQNHWGL-UHFFFAOYSA-N 1 2 225.292 0.946 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013568170 367932616 /nfs/dbraw/zinc/93/26/16/367932616.db2.gz KHKNFZWRKPSDRV-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013568170 367932620 /nfs/dbraw/zinc/93/26/20/367932620.db2.gz KHKNFZWRKPSDRV-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc(N)c2)CC(=O)N1 ZINC000387109336 368051526 /nfs/dbraw/zinc/05/15/26/368051526.db2.gz GTLKYCBSCALDAE-VIFPVBQESA-N 1 2 219.288 0.589 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc(N)c2)CC(=O)N1 ZINC000387109336 368051529 /nfs/dbraw/zinc/05/15/29/368051529.db2.gz GTLKYCBSCALDAE-VIFPVBQESA-N 1 2 219.288 0.589 20 0 BCADLO CC[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000566306548 326031528 /nfs/dbraw/zinc/03/15/28/326031528.db2.gz SDTXGDYOVUCNLS-MRVPVSSYSA-N 1 2 210.281 0.385 20 0 BCADLO CC(=O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000615575602 368109718 /nfs/dbraw/zinc/10/97/18/368109718.db2.gz UHCHBXLWVLBUQU-NSHDSACASA-N 1 2 235.287 0.853 20 0 BCADLO CN(CC(C)(C)CO)C(=O)Cn1cc[nH+]c1 ZINC000566364022 326037381 /nfs/dbraw/zinc/03/73/81/326037381.db2.gz FXNDPHBKMAIAQB-UHFFFAOYSA-N 1 2 225.292 0.360 20 0 BCADLO CC(=O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000615519698 368087413 /nfs/dbraw/zinc/08/74/13/368087413.db2.gz UHCHBXLWVLBUQU-LLVKDONJSA-N 1 2 235.287 0.853 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ncnn1C ZINC000399322792 368158997 /nfs/dbraw/zinc/15/89/97/368158997.db2.gz JKXMWLNPYXSHEQ-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ncnn1C ZINC000399322792 368159004 /nfs/dbraw/zinc/15/90/04/368159004.db2.gz JKXMWLNPYXSHEQ-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH+]1CCSCC1 ZINC000041366888 368278583 /nfs/dbraw/zinc/27/85/83/368278583.db2.gz AQGBRWUEPACGLA-SECBINFHSA-N 1 2 216.350 0.950 20 0 BCADLO CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041419823 368282745 /nfs/dbraw/zinc/28/27/45/368282745.db2.gz BZPKIWGFTWFADA-NSHDSACASA-N 1 2 244.360 0.330 20 0 BCADLO CC(C)(C(=O)N1CCOC1)c1c[nH+]c[nH]1 ZINC000615766005 368294142 /nfs/dbraw/zinc/29/41/42/368294142.db2.gz MKMHBXRDFGWABU-UHFFFAOYSA-N 1 2 209.249 0.504 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ccn[nH]1 ZINC000042196335 368301300 /nfs/dbraw/zinc/30/13/00/368301300.db2.gz FQXXUORHULJHGS-UHFFFAOYSA-N 1 2 219.248 0.426 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046512439 368445983 /nfs/dbraw/zinc/44/59/83/368445983.db2.gz LKDYYAKRDURKHE-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CCCCNC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046512439 368445987 /nfs/dbraw/zinc/44/59/87/368445987.db2.gz LKDYYAKRDURKHE-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000046774030 368449442 /nfs/dbraw/zinc/44/94/42/368449442.db2.gz IDEXRFUPWLPYCN-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H]1COCC[N@H+]1CC(=O)N1CCCCC1 ZINC000046774030 368449445 /nfs/dbraw/zinc/44/94/45/368449445.db2.gz IDEXRFUPWLPYCN-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000046774033 368449965 /nfs/dbraw/zinc/44/99/65/368449965.db2.gz CRPWVJCSDMVHRB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C)CC1 ZINC000046774033 368449973 /nfs/dbraw/zinc/44/99/73/368449973.db2.gz CRPWVJCSDMVHRB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000046774246 368449996 /nfs/dbraw/zinc/44/99/96/368449996.db2.gz WCIHMVBSCKKEFJ-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1C ZINC000046774246 368450006 /nfs/dbraw/zinc/45/00/06/368450006.db2.gz WCIHMVBSCKKEFJ-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCCO1 ZINC000046781590 368451911 /nfs/dbraw/zinc/45/19/11/368451911.db2.gz AJSRJFYQVFVBEY-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCCO1 ZINC000046781578 368451935 /nfs/dbraw/zinc/45/19/35/368451935.db2.gz AJSRJFYQVFVBEY-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO CO[C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000056548888 368470620 /nfs/dbraw/zinc/47/06/20/368470620.db2.gz ANXJZGXBHKFJOA-VIFPVBQESA-N 1 2 237.303 0.799 20 0 BCADLO CC(C)N(C(=O)C[N@H+](C)CC(N)=O)C(C)C ZINC000047629317 368464824 /nfs/dbraw/zinc/46/48/24/368464824.db2.gz JPVSACWKECYXPA-UHFFFAOYSA-N 1 2 229.324 0.049 20 0 BCADLO CC(C)N(C(=O)C[N@@H+](C)CC(N)=O)C(C)C ZINC000047629317 368464827 /nfs/dbraw/zinc/46/48/27/368464827.db2.gz JPVSACWKECYXPA-UHFFFAOYSA-N 1 2 229.324 0.049 20 0 BCADLO COCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000047576008 368465498 /nfs/dbraw/zinc/46/54/98/368465498.db2.gz WDDFZKTZKIRTOD-UHFFFAOYSA-N 1 2 248.286 0.780 20 0 BCADLO Cn1ccnc1C[NH2+]CC(=O)NCc1ccco1 ZINC000057627921 368497353 /nfs/dbraw/zinc/49/73/53/368497353.db2.gz ZLWPTBVKFHZGQR-UHFFFAOYSA-N 1 2 248.286 0.419 20 0 BCADLO CCO[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000058953009 368525966 /nfs/dbraw/zinc/52/59/66/368525966.db2.gz ZVSHXPWTTQAWPH-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1C ZINC000642568154 368508628 /nfs/dbraw/zinc/50/86/28/368508628.db2.gz LMWIAPUWNBGVKM-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1ccccc1Cl ZINC000058579922 368516064 /nfs/dbraw/zinc/51/60/64/368516064.db2.gz CWBMLKGECHRLDT-SNVBAGLBSA-N 1 2 242.706 0.791 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1ccccc1Cl ZINC000058579922 368516070 /nfs/dbraw/zinc/51/60/70/368516070.db2.gz CWBMLKGECHRLDT-SNVBAGLBSA-N 1 2 242.706 0.791 20 0 BCADLO CS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000058629730 368517686 /nfs/dbraw/zinc/51/76/86/368517686.db2.gz DNXXCLVZQVULCF-UHFFFAOYSA-N 1 2 210.258 0.879 20 0 BCADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCOC1 ZINC000108868195 368600509 /nfs/dbraw/zinc/60/05/09/368600509.db2.gz GJBWZHMYWHLZHH-JTQLQIEISA-N 1 2 248.286 0.243 20 0 BCADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCOC1 ZINC000108868195 368600511 /nfs/dbraw/zinc/60/05/11/368600511.db2.gz GJBWZHMYWHLZHH-JTQLQIEISA-N 1 2 248.286 0.243 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247729 368600522 /nfs/dbraw/zinc/60/05/22/368600522.db2.gz IVFVGQSJHKOSLS-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064247729 368600523 /nfs/dbraw/zinc/60/05/23/368600523.db2.gz IVFVGQSJHKOSLS-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000068467752 368727125 /nfs/dbraw/zinc/72/71/25/368727125.db2.gz IJYPRHZZEBDGKZ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)COc1ccccc1 ZINC000066971375 368672105 /nfs/dbraw/zinc/67/21/05/368672105.db2.gz FCDQGNQCPYZWLC-LBPRGKRZSA-N 1 2 247.298 0.939 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC12COC2 ZINC000615923227 368674035 /nfs/dbraw/zinc/67/40/35/368674035.db2.gz JCQJMYYIKVFQAD-UHFFFAOYSA-N 1 2 221.260 0.262 20 0 BCADLO Cc1nnc2n1CC[N@@H+](CCn1cccn1)C2 ZINC000069538494 370949225 /nfs/dbraw/zinc/94/92/25/370949225.db2.gz CDBLQCNTBHANCE-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1nnc2n1CC[N@H+](CCn1cccn1)C2 ZINC000069538494 370949229 /nfs/dbraw/zinc/94/92/29/370949229.db2.gz CDBLQCNTBHANCE-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH]nn1 ZINC000259762027 370941224 /nfs/dbraw/zinc/94/12/24/370941224.db2.gz RUIYBMATAGMTRP-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CCc1c[nH]nn1 ZINC000259762027 370941229 /nfs/dbraw/zinc/94/12/29/370941229.db2.gz RUIYBMATAGMTRP-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCc1cn[nH]n1 ZINC000259762027 370941230 /nfs/dbraw/zinc/94/12/30/370941230.db2.gz RUIYBMATAGMTRP-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CCc1cn[nH]n1 ZINC000259762027 370941237 /nfs/dbraw/zinc/94/12/37/370941237.db2.gz RUIYBMATAGMTRP-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000259778493 370942231 /nfs/dbraw/zinc/94/22/31/370942231.db2.gz MMXJWGHSGAFJCA-VIFPVBQESA-N 1 2 217.309 0.888 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000259778493 370942235 /nfs/dbraw/zinc/94/22/35/370942235.db2.gz MMXJWGHSGAFJCA-VIFPVBQESA-N 1 2 217.309 0.888 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622475878 370945111 /nfs/dbraw/zinc/94/51/11/370945111.db2.gz PZSGFZXMBCTTAV-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000074325164 368837763 /nfs/dbraw/zinc/83/77/63/368837763.db2.gz MLFQHUIMCRSRLO-HTQZYQBOSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000074325164 368837767 /nfs/dbraw/zinc/83/77/67/368837767.db2.gz MLFQHUIMCRSRLO-HTQZYQBOSA-N 1 2 211.265 0.760 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072832753 368782757 /nfs/dbraw/zinc/78/27/57/368782757.db2.gz IPJNJWFNCQREHK-LBPRGKRZSA-N 1 2 240.303 0.152 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072832753 368782760 /nfs/dbraw/zinc/78/27/60/368782760.db2.gz IPJNJWFNCQREHK-LBPRGKRZSA-N 1 2 240.303 0.152 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cnn(CC)c1 ZINC000072982149 368788933 /nfs/dbraw/zinc/78/89/33/368788933.db2.gz KKWGOEFULIUQAH-SNVBAGLBSA-N 1 2 224.308 0.599 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072982149 368788936 /nfs/dbraw/zinc/78/89/36/368788936.db2.gz KKWGOEFULIUQAH-SNVBAGLBSA-N 1 2 224.308 0.599 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000615961353 368796616 /nfs/dbraw/zinc/79/66/16/368796616.db2.gz QLVZSXKWPYOYRB-UKKRHICBSA-N 1 2 249.314 0.973 20 0 BCADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000567320585 326160242 /nfs/dbraw/zinc/16/02/42/326160242.db2.gz QOHWECRCFBSUII-LLVKDONJSA-N 1 2 223.276 0.426 20 0 BCADLO OCC(CO)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000087753172 368896870 /nfs/dbraw/zinc/89/68/70/368896870.db2.gz BCLFWCYCSQEECV-UHFFFAOYSA-N 1 2 249.270 0.179 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000618924748 368847702 /nfs/dbraw/zinc/84/77/02/368847702.db2.gz HOHWRKFNJHWXOT-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000618924748 368847709 /nfs/dbraw/zinc/84/77/09/368847709.db2.gz HOHWRKFNJHWXOT-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCO[C@@H]1CC1(F)F ZINC000618130261 369069126 /nfs/dbraw/zinc/06/91/26/369069126.db2.gz JROBWOHGWGHVHC-MRVPVSSYSA-N 1 2 245.229 0.424 20 0 BCADLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000457436306 203062551 /nfs/dbraw/zinc/06/25/51/203062551.db2.gz IOBVLOZYQGRQRB-NSHDSACASA-N 1 2 240.347 0.559 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000457501161 203070237 /nfs/dbraw/zinc/07/02/37/203070237.db2.gz DERHARHAZOQFPD-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000457501161 203070239 /nfs/dbraw/zinc/07/02/39/203070239.db2.gz DERHARHAZOQFPD-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000154941291 326174294 /nfs/dbraw/zinc/17/42/94/326174294.db2.gz HFPRUXRDVHNEEM-PWSUYJOCSA-N 1 2 245.319 0.315 20 0 BCADLO Cc1c[nH]cc(C(=O)NC2C[NH+](C(C)C)C2)c1=O ZINC000457722456 203095373 /nfs/dbraw/zinc/09/53/73/203095373.db2.gz NXIGIZGZOXUIJU-UHFFFAOYSA-N 1 2 249.314 0.506 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CCCOC1 ZINC000622482780 370950684 /nfs/dbraw/zinc/95/06/84/370950684.db2.gz JEJSUGCZLZBAHA-LBPRGKRZSA-N 1 2 237.303 0.648 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000618703248 369201781 /nfs/dbraw/zinc/20/17/81/369201781.db2.gz CHSQNGURMCQDCH-MFKMUULPSA-N 1 2 249.314 0.756 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000164629374 203230768 /nfs/dbraw/zinc/23/07/68/203230768.db2.gz CTAOIRGTXPPPFU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000164629374 203230770 /nfs/dbraw/zinc/23/07/70/203230770.db2.gz CTAOIRGTXPPPFU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567615662 326230223 /nfs/dbraw/zinc/23/02/23/326230223.db2.gz CKQRJEURLARHJU-IONNQARKSA-N 1 2 223.276 0.554 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000164613981 203217723 /nfs/dbraw/zinc/21/77/23/203217723.db2.gz ZEQQXIPWEUQTAR-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000164613981 203217727 /nfs/dbraw/zinc/21/77/27/203217727.db2.gz ZEQQXIPWEUQTAR-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619075604 369276526 /nfs/dbraw/zinc/27/65/26/369276526.db2.gz ORBKKZDXMZMDLO-WDEREUQCSA-N 1 2 249.314 0.680 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619075604 369276533 /nfs/dbraw/zinc/27/65/33/369276533.db2.gz ORBKKZDXMZMDLO-WDEREUQCSA-N 1 2 249.314 0.680 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)c[nH+]1 ZINC000619082581 369278369 /nfs/dbraw/zinc/27/83/69/369278369.db2.gz GZYJAZAXHJEJTM-NXEZZACHSA-N 1 2 235.287 0.751 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164648582 203240910 /nfs/dbraw/zinc/24/09/10/203240910.db2.gz FCXLNWQXKPMZNP-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164648582 203240913 /nfs/dbraw/zinc/24/09/13/203240913.db2.gz FCXLNWQXKPMZNP-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000459281331 203246493 /nfs/dbraw/zinc/24/64/93/203246493.db2.gz CFLWNXQVFYCASS-ZJUUUORDSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000459281331 203246497 /nfs/dbraw/zinc/24/64/97/203246497.db2.gz CFLWNXQVFYCASS-ZJUUUORDSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459309712 203251917 /nfs/dbraw/zinc/25/19/17/203251917.db2.gz ZHUSIRUBHWPHIH-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459309712 203251921 /nfs/dbraw/zinc/25/19/21/203251921.db2.gz ZHUSIRUBHWPHIH-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000459334062 203261222 /nfs/dbraw/zinc/26/12/22/203261222.db2.gz CYBDBAGLIVIVIT-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000459334062 203261226 /nfs/dbraw/zinc/26/12/26/203261226.db2.gz CYBDBAGLIVIVIT-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000459356216 203267167 /nfs/dbraw/zinc/26/71/67/203267167.db2.gz CCZASAAUDUZDOL-ZJUUUORDSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000459356216 203267170 /nfs/dbraw/zinc/26/71/70/203267170.db2.gz CCZASAAUDUZDOL-ZJUUUORDSA-N 1 2 224.308 0.907 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC2(CCC2)C1)[C@H](C)O ZINC000459518148 203295431 /nfs/dbraw/zinc/29/54/31/203295431.db2.gz WYNSZIDHFRYKOI-WPRPVWTQSA-N 1 2 227.304 0.831 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000459554312 203296414 /nfs/dbraw/zinc/29/64/14/203296414.db2.gz DMKPLGSQKGPPMW-JQWIXIFHSA-N 1 2 247.335 0.561 20 0 BCADLO COCCCOC1CN(Cc2[nH+]ccn2C)C1 ZINC000459590138 203309218 /nfs/dbraw/zinc/30/92/18/203309218.db2.gz JFHMZOLNGMPZBW-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000400282365 369346960 /nfs/dbraw/zinc/34/69/60/369346960.db2.gz JUAJYNSBLQYNJH-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000400282365 369346962 /nfs/dbraw/zinc/34/69/62/369346962.db2.gz JUAJYNSBLQYNJH-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCc1cnc(C[NH+]2CC(C(=O)NC)C2)s1 ZINC000459605395 203313768 /nfs/dbraw/zinc/31/37/68/203313768.db2.gz CWXNEIIWDXZFBW-UHFFFAOYSA-N 1 2 239.344 0.883 20 0 BCADLO CC(=O)NC1C[NH+](C/C=C/c2ccncc2)C1 ZINC000459553118 203299224 /nfs/dbraw/zinc/29/92/24/203299224.db2.gz DFDMZXRELWTJEA-NSCUHMNNSA-N 1 2 231.299 0.915 20 0 BCADLO CC[C@](COC)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000459565035 203304319 /nfs/dbraw/zinc/30/43/19/203304319.db2.gz XKALHBZNMATSQB-MWLCHTKSSA-N 1 2 233.308 0.579 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@]1(O)CCOC1)C1CC1 ZINC000403219476 369398069 /nfs/dbraw/zinc/39/80/69/369398069.db2.gz UBMDBGRKDQTVAF-ZYHUDNBSSA-N 1 2 243.303 0.069 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@]1(O)CCOC1)C1CC1 ZINC000403219471 369398078 /nfs/dbraw/zinc/39/80/78/369398078.db2.gz UBMDBGRKDQTVAF-CMPLNLGQSA-N 1 2 243.303 0.069 20 0 BCADLO COC(=O)c1ccc(C[NH+]2CC(C)(CO)C2)[nH]1 ZINC000459618861 203319193 /nfs/dbraw/zinc/31/91/93/203319193.db2.gz GQNUTDDSPYYOOA-UHFFFAOYSA-N 1 2 238.287 0.616 20 0 BCADLO CC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515629 369457532 /nfs/dbraw/zinc/45/75/32/369457532.db2.gz YWAZRXDKAYVTHH-YIZRAAEISA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515629 369457535 /nfs/dbraw/zinc/45/75/35/369457535.db2.gz YWAZRXDKAYVTHH-YIZRAAEISA-N 1 2 219.256 0.343 20 0 BCADLO C[C@@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000622500587 370964053 /nfs/dbraw/zinc/96/40/53/370964053.db2.gz YMUNTBUNIVAZAH-LLVKDONJSA-N 1 2 222.288 0.569 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000622500587 370964058 /nfs/dbraw/zinc/96/40/58/370964058.db2.gz YMUNTBUNIVAZAH-LLVKDONJSA-N 1 2 222.288 0.569 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC12CC2 ZINC000622504161 370966690 /nfs/dbraw/zinc/96/66/90/370966690.db2.gz QNULBNDWBYWEHM-JTQLQIEISA-N 1 2 219.288 0.879 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459742967 203351315 /nfs/dbraw/zinc/35/13/15/203351315.db2.gz CGUNGTVRUZXGSR-YUMQZZPRSA-N 1 2 201.291 0.739 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459742967 203351317 /nfs/dbraw/zinc/35/13/17/203351317.db2.gz CGUNGTVRUZXGSR-YUMQZZPRSA-N 1 2 201.291 0.739 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]1C ZINC000619661365 369513249 /nfs/dbraw/zinc/51/32/49/369513249.db2.gz XJUQUVZBWUVTPM-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H](O)C1(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000620067736 369702296 /nfs/dbraw/zinc/70/22/96/369702296.db2.gz VKMYHHQJTWBDQC-SECBINFHSA-N 1 2 245.282 0.978 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620141692 369746908 /nfs/dbraw/zinc/74/69/08/369746908.db2.gz XTPXCEFIGZBTTC-WDEREUQCSA-N 1 2 249.314 0.756 20 0 BCADLO CC(C)c1nc(N2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000110541394 369858292 /nfs/dbraw/zinc/85/82/92/369858292.db2.gz DFCUTKKZQDJKLF-VIFPVBQESA-N 1 2 234.303 0.912 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)CO ZINC000620454934 369884672 /nfs/dbraw/zinc/88/46/72/369884672.db2.gz FUWWSZRQELQINT-JQWIXIFHSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@H](NC(=O)c1ccn[nH]1)c1[nH+]ccn1C ZINC000620597823 369949314 /nfs/dbraw/zinc/94/93/14/369949314.db2.gz ZUJFFHXOHYBELT-ZETCQYMHSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@@H](NC(=O)c1cn(C)cn1)c1[nH+]ccn1C ZINC000620603156 369950615 /nfs/dbraw/zinc/95/06/15/369950615.db2.gz ICJLEEBOBHXXFT-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO C[C@H](NC(=O)C(C)(C)CO)c1[nH+]ccn1C ZINC000620603810 369951692 /nfs/dbraw/zinc/95/16/92/369951692.db2.gz LODSAARQUGSWSF-QMMMGPOBSA-N 1 2 225.292 0.616 20 0 BCADLO C[C@@H](NC(=O)c1cnn(C)c1N)c1[nH+]ccn1C ZINC000620605149 369953473 /nfs/dbraw/zinc/95/34/73/369953473.db2.gz ZDRCVGOFDVZGMD-SSDOTTSWSA-N 1 2 248.290 0.227 20 0 BCADLO C[C@H](NC(=O)c1ccncn1)c1[nH+]ccn1C ZINC000620606523 369954044 /nfs/dbraw/zinc/95/40/44/369954044.db2.gz VNPUBOMPSXJCDG-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO CCn1nncc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620610502 369957339 /nfs/dbraw/zinc/95/73/39/369957339.db2.gz XCYIRMXDULRTGA-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO C/C=C/CNC(=O)NCCn1cc[nH+]c1 ZINC000623705249 369978354 /nfs/dbraw/zinc/97/83/54/369978354.db2.gz ONDFUDAAQTZZNN-NSCUHMNNSA-N 1 2 208.265 0.758 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000620543758 369911381 /nfs/dbraw/zinc/91/13/81/369911381.db2.gz PQENYULDDPAHJZ-XRNSZHNASA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000620543758 369911385 /nfs/dbraw/zinc/91/13/85/369911385.db2.gz PQENYULDDPAHJZ-XRNSZHNASA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620547638 369912274 /nfs/dbraw/zinc/91/22/74/369912274.db2.gz DKCXAKZZLCTJAS-DYLAAIIWSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620547638 369912277 /nfs/dbraw/zinc/91/22/77/369912277.db2.gz DKCXAKZZLCTJAS-DYLAAIIWSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000620548267 369913198 /nfs/dbraw/zinc/91/31/98/369913198.db2.gz RVXWQUSKFJJOJS-CWSCBRNRSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](NC(=O)c1ccn(C)n1)c1[nH+]ccn1C ZINC000620595118 369947845 /nfs/dbraw/zinc/94/78/45/369947845.db2.gz IOWARWTZXCWEIG-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO C[C@@H](NC(=O)c1ccnn1C)c1[nH+]ccn1C ZINC000620594838 369947981 /nfs/dbraw/zinc/94/79/81/369947981.db2.gz HHCSZKMHOKHYCJ-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO Cc1c(C(=O)N[C@H](C)c2[nH+]ccn2C)cnn1C ZINC000620595653 369948219 /nfs/dbraw/zinc/94/82/19/369948219.db2.gz IVWZHYRWFDQJEJ-MRVPVSSYSA-N 1 2 247.302 0.953 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C ZINC000251891938 369980821 /nfs/dbraw/zinc/98/08/21/369980821.db2.gz VQMBRXMTXFEZNE-RKDXNWHRSA-N 1 2 238.291 0.056 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C ZINC000251891938 369980825 /nfs/dbraw/zinc/98/08/25/369980825.db2.gz VQMBRXMTXFEZNE-RKDXNWHRSA-N 1 2 238.291 0.056 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCCOCCF ZINC000621092102 370101367 /nfs/dbraw/zinc/10/13/67/370101367.db2.gz BZHWKHMNYCCZJW-UHFFFAOYSA-N 1 2 243.282 0.455 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC3CC2(C)C3)C1 ZINC000621213826 370156607 /nfs/dbraw/zinc/15/66/07/370156607.db2.gz CHEJSRXIXVHJGK-SQLBVSGCSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CC3CC2(C)C3)C1 ZINC000621213826 370156611 /nfs/dbraw/zinc/15/66/11/370156611.db2.gz CHEJSRXIXVHJGK-SQLBVSGCSA-N 1 2 224.304 0.328 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1cccc(O)c1 ZINC000309555170 370229709 /nfs/dbraw/zinc/22/97/09/370229709.db2.gz HINSDBGRFJRXSA-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1[nH]c[nH+]c1C ZINC000568202492 326325595 /nfs/dbraw/zinc/32/55/95/326325595.db2.gz OZKLKBPFPZHEAG-LLVKDONJSA-N 1 2 225.292 0.743 20 0 BCADLO C[C@@H](CO)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621255951 370188465 /nfs/dbraw/zinc/18/84/65/370188465.db2.gz LXBXJUHWXMAOOD-ZCFIWIBFSA-N 1 2 249.274 0.049 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000076419014 370285745 /nfs/dbraw/zinc/28/57/45/370285745.db2.gz YIWDDAKCMQXRMN-NSHDSACASA-N 1 2 249.314 0.096 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000076419014 370285749 /nfs/dbraw/zinc/28/57/49/370285749.db2.gz YIWDDAKCMQXRMN-NSHDSACASA-N 1 2 249.314 0.096 20 0 BCADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1CO ZINC000621373580 370313660 /nfs/dbraw/zinc/31/36/60/370313660.db2.gz LHVMTFFJBHUSHQ-NXEZZACHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1CO ZINC000621373580 370313663 /nfs/dbraw/zinc/31/36/63/370313663.db2.gz LHVMTFFJBHUSHQ-NXEZZACHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)C[C@H]1CO ZINC000621374217 370314292 /nfs/dbraw/zinc/31/42/92/370314292.db2.gz WNNCYBBEOKAKOH-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C[C@H]1CO ZINC000621374217 370314295 /nfs/dbraw/zinc/31/42/95/370314295.db2.gz WNNCYBBEOKAKOH-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000310392481 370342542 /nfs/dbraw/zinc/34/25/42/370342542.db2.gz LGBJDPPJFZVDHN-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)CC ZINC000077377224 370414031 /nfs/dbraw/zinc/41/40/31/370414031.db2.gz VICPNHCTKSDSAW-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)CC ZINC000077377224 370414034 /nfs/dbraw/zinc/41/40/34/370414034.db2.gz VICPNHCTKSDSAW-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000621712667 370459515 /nfs/dbraw/zinc/45/95/15/370459515.db2.gz KUZUHKHLBAZLMS-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC000621712667 370459517 /nfs/dbraw/zinc/45/95/17/370459517.db2.gz KUZUHKHLBAZLMS-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000621719635 370468982 /nfs/dbraw/zinc/46/89/82/370468982.db2.gz RZPYKCWORCCVJI-KOLCDFICSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000621719635 370468988 /nfs/dbraw/zinc/46/89/88/370468988.db2.gz RZPYKCWORCCVJI-KOLCDFICSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000621724478 370476856 /nfs/dbraw/zinc/47/68/56/370476856.db2.gz KBHFQONHJWDNLN-MWLCHTKSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000621724478 370476862 /nfs/dbraw/zinc/47/68/62/370476862.db2.gz KBHFQONHJWDNLN-MWLCHTKSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000621731583 370482978 /nfs/dbraw/zinc/48/29/78/370482978.db2.gz UCOSPFAJXZTRNK-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000621731583 370482986 /nfs/dbraw/zinc/48/29/86/370482986.db2.gz UCOSPFAJXZTRNK-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114123591 370546990 /nfs/dbraw/zinc/54/69/90/370546990.db2.gz QTIMUSSVHRTEML-MRVPVSSYSA-N 1 2 223.276 0.841 20 0 BCADLO COCCC(=O)NCCCCn1cc[nH+]c1 ZINC000066076029 370549810 /nfs/dbraw/zinc/54/98/10/370549810.db2.gz RKZZLTLBBCZRHQ-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO Cn1c[nH+]c(CCNc2nccn(C)c2=O)c1 ZINC000313462759 370587866 /nfs/dbraw/zinc/58/78/66/370587866.db2.gz RLBSNGOAECGPJZ-UHFFFAOYSA-N 1 2 233.275 0.168 20 0 BCADLO Cc1nc(=NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n(C)[nH]1 ZINC000621952873 370618086 /nfs/dbraw/zinc/61/80/86/370618086.db2.gz UREUKJSLJVYZEB-JTQLQIEISA-N 1 2 249.318 0.111 20 0 BCADLO Cc1nc(=NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n(C)[nH]1 ZINC000621952873 370618090 /nfs/dbraw/zinc/61/80/90/370618090.db2.gz UREUKJSLJVYZEB-JTQLQIEISA-N 1 2 249.318 0.111 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC000621940009 370610138 /nfs/dbraw/zinc/61/01/38/370610138.db2.gz YIIANJDQKNJCBZ-IUCAKERBSA-N 1 2 237.303 0.527 20 0 BCADLO COC1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621937698 370610350 /nfs/dbraw/zinc/61/03/50/370610350.db2.gz KBJTWPIDBNYPEQ-UHFFFAOYSA-N 1 2 237.303 0.935 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC000621940007 370610437 /nfs/dbraw/zinc/61/04/37/370610437.db2.gz YIIANJDQKNJCBZ-BDAKNGLRSA-N 1 2 237.303 0.527 20 0 BCADLO O=C(C[NH2+]Cc1nccs1)NC1CC1 ZINC000070159377 371008425 /nfs/dbraw/zinc/00/84/25/371008425.db2.gz HZABTDKVLBPIKJ-UHFFFAOYSA-N 1 2 211.290 0.511 20 0 BCADLO Cc1cc(CNC(=O)Cc2c[nH+]cn2C)ccn1 ZINC000622633474 371025606 /nfs/dbraw/zinc/02/56/06/371025606.db2.gz TUKCUIAFZVOHBT-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622658062 371043317 /nfs/dbraw/zinc/04/33/17/371043317.db2.gz OWCKYJJZPXFYEK-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CCO[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685709 371061990 /nfs/dbraw/zinc/06/19/90/371061990.db2.gz GOYQIHHKEQDDGB-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cnn(C)c2)c1 ZINC000622685757 371062114 /nfs/dbraw/zinc/06/21/14/371062114.db2.gz JFBTYGGGRSEXCO-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO CCc1ocnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685788 371062340 /nfs/dbraw/zinc/06/23/40/371062340.db2.gz KLOLJZYTYURMEY-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccc(F)cn2)c1 ZINC000622685687 371062505 /nfs/dbraw/zinc/06/25/05/371062505.db2.gz FOUYOJUEYIFWIZ-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)COCC2CC2)c1 ZINC000622685805 371062770 /nfs/dbraw/zinc/06/27/70/371062770.db2.gz LGACQRJLHHUCIO-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cncnc2)c1 ZINC000622685608 371062828 /nfs/dbraw/zinc/06/28/28/371062828.db2.gz ADHCXCMFPCLDMR-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO Cc1cnn(CC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000622685911 371064012 /nfs/dbraw/zinc/06/40/12/371064012.db2.gz PSMOKFCGZDHKET-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)n1cccn1 ZINC000622686108 371064173 /nfs/dbraw/zinc/06/41/73/371064173.db2.gz ZSBOKWAIMXCIQX-SNVBAGLBSA-N 1 2 247.302 0.537 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000124015192 371132368 /nfs/dbraw/zinc/13/23/68/371132368.db2.gz CETYKGUZNOKDAA-BDAKNGLRSA-N 1 2 239.275 0.172 20 0 BCADLO Cn1ccnc1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000623841403 371122421 /nfs/dbraw/zinc/12/24/21/371122421.db2.gz UOQRDNKPTGAIAX-NSHDSACASA-N 1 2 248.330 0.663 20 0 BCADLO CCOC(=O)CN(C)Cc1cc[nH+]c(N)c1 ZINC000278572358 371233296 /nfs/dbraw/zinc/23/32/96/371233296.db2.gz WZUXBTKCMXDSKW-UHFFFAOYSA-N 1 2 223.276 0.659 20 0 BCADLO COc1ccc[nH+]c1NCCc1nnnn1C ZINC000624082884 371298058 /nfs/dbraw/zinc/29/80/58/371298058.db2.gz RZWGQXDCZJJDKM-UHFFFAOYSA-N 1 2 234.263 0.268 20 0 BCADLO CCO[C@H](C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000624075515 371294109 /nfs/dbraw/zinc/29/41/09/371294109.db2.gz IKUUUUGMHZHSFC-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCF ZINC000624094367 371303620 /nfs/dbraw/zinc/30/36/20/371303620.db2.gz CSMKZDHUFCQZPE-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCF ZINC000624094367 371303625 /nfs/dbraw/zinc/30/36/25/371303625.db2.gz CSMKZDHUFCQZPE-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO COCC[N@H+](Cc1nnnn1C)C1CCCC1 ZINC000624188175 371377280 /nfs/dbraw/zinc/37/72/80/371377280.db2.gz ARJIFJHKZHLZCA-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO COCC[N@@H+](Cc1nnnn1C)C1CCCC1 ZINC000624188175 371377281 /nfs/dbraw/zinc/37/72/81/371377281.db2.gz ARJIFJHKZHLZCA-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO Cn1ccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000027971084 371558255 /nfs/dbraw/zinc/55/82/55/371558255.db2.gz ZOUMYLPUHKELEM-UHFFFAOYSA-N 1 2 233.275 0.437 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1nc[nH]n1)CC2 ZINC000624365797 371494350 /nfs/dbraw/zinc/49/43/50/371494350.db2.gz FTSGLRVPJKHICC-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO COc1ccc[nH+]c1N(C)C[C@@H]1COCCO1 ZINC000624396323 371499279 /nfs/dbraw/zinc/49/92/79/371499279.db2.gz LRTINELOUMZLAP-SNVBAGLBSA-N 1 2 238.287 0.942 20 0 BCADLO C[C@H]1C[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)CO1 ZINC000627370840 371587673 /nfs/dbraw/zinc/58/76/73/371587673.db2.gz OAUJAUXIUJPTNM-IUCAKERBSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1C[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)CO1 ZINC000627370840 371587679 /nfs/dbraw/zinc/58/76/79/371587679.db2.gz OAUJAUXIUJPTNM-IUCAKERBSA-N 1 2 235.287 0.719 20 0 BCADLO CO[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000627370680 371587711 /nfs/dbraw/zinc/58/77/11/371587711.db2.gz ISOBTEWZZUZFJW-NSHDSACASA-N 1 2 237.303 0.965 20 0 BCADLO CO[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000627370680 371587712 /nfs/dbraw/zinc/58/77/12/371587712.db2.gz ISOBTEWZZUZFJW-NSHDSACASA-N 1 2 237.303 0.965 20 0 BCADLO Cc1ncoc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368998 371587729 /nfs/dbraw/zinc/58/77/29/371587729.db2.gz IIZZEPRQRDIWMP-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1ncoc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368998 371587731 /nfs/dbraw/zinc/58/77/31/371587731.db2.gz IIZZEPRQRDIWMP-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1nnccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627369989 371588356 /nfs/dbraw/zinc/58/83/56/371588356.db2.gz JZXVNCCEWRSFJV-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1nnccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627369989 371588361 /nfs/dbraw/zinc/58/83/61/371588361.db2.gz JZXVNCCEWRSFJV-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)nn1 ZINC000627373712 371591645 /nfs/dbraw/zinc/59/16/45/371591645.db2.gz YZXYHJXDQDUXQW-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)nn1 ZINC000627373712 371591649 /nfs/dbraw/zinc/59/16/49/371591649.db2.gz YZXYHJXDQDUXQW-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)no2)C[C@@H]1OC ZINC000351647975 371652127 /nfs/dbraw/zinc/65/21/27/371652127.db2.gz JXZWLXYNNPFSDM-DTORHVGOSA-N 1 2 227.264 0.224 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)no2)C[C@@H]1OC ZINC000351647975 371652134 /nfs/dbraw/zinc/65/21/34/371652134.db2.gz JXZWLXYNNPFSDM-DTORHVGOSA-N 1 2 227.264 0.224 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000226767013 371739545 /nfs/dbraw/zinc/73/95/45/371739545.db2.gz LRWIRSGOTFAWAF-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](C)C1 ZINC000226767013 371739553 /nfs/dbraw/zinc/73/95/53/371739553.db2.gz LRWIRSGOTFAWAF-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080945 371781208 /nfs/dbraw/zinc/78/12/08/371781208.db2.gz WALLTWIFSWIBJX-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080945 371781209 /nfs/dbraw/zinc/78/12/09/371781209.db2.gz WALLTWIFSWIBJX-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C)CC1 ZINC000057567775 371866896 /nfs/dbraw/zinc/86/68/96/371866896.db2.gz OBRNKPNBLRRIMY-LBPRGKRZSA-N 1 2 239.363 0.635 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000306638441 372048852 /nfs/dbraw/zinc/04/88/52/372048852.db2.gz BXQGGKCHFWEARW-NTSWFWBYSA-N 1 2 234.708 0.646 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](CCO)C1 ZINC000229350881 372145581 /nfs/dbraw/zinc/14/55/81/372145581.db2.gz UIOPFBHEOMXNDL-SECBINFHSA-N 1 2 247.302 0.572 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1cnccc1OC ZINC000631126177 372203011 /nfs/dbraw/zinc/20/30/11/372203011.db2.gz QDARIKABJLMCRV-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCNC1=O ZINC000631140059 372206786 /nfs/dbraw/zinc/20/67/86/372206786.db2.gz KKOSJDVFPMBMTD-VIFPVBQESA-N 1 2 233.271 0.277 20 0 BCADLO c1csc(C[NH2+]C2CN(c3ccncn3)C2)n1 ZINC000631257631 372264579 /nfs/dbraw/zinc/26/45/79/372264579.db2.gz CCFGOHKLFKLNIS-UHFFFAOYSA-N 1 2 247.327 0.912 20 0 BCADLO CCCCc1cc(N[C@@H]2COC[C@@H]2O)nc[nH+]1 ZINC000631431066 372360808 /nfs/dbraw/zinc/36/08/08/372360808.db2.gz OTUZZULDKNNOCF-MNOVXSKESA-N 1 2 237.303 0.991 20 0 BCADLO C[N@@H+]1CCc2ncnc(N[C@H]3C[C@@H](CO)C3)c2C1 ZINC000631425333 372354846 /nfs/dbraw/zinc/35/48/46/372354846.db2.gz DTRDKVKXGWAOBS-AOOOYVTPSA-N 1 2 248.330 0.647 20 0 BCADLO C[N@H+]1CCc2ncnc(N[C@H]3C[C@@H](CO)C3)c2C1 ZINC000631425333 372354847 /nfs/dbraw/zinc/35/48/47/372354847.db2.gz DTRDKVKXGWAOBS-AOOOYVTPSA-N 1 2 248.330 0.647 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2COCC[C@H]2O)c1Cl ZINC000631529709 372411199 /nfs/dbraw/zinc/41/11/99/372411199.db2.gz OIPYTOKXVOEMCC-PHDIDXHHSA-N 1 2 244.682 0.274 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2COCC[C@H]2O)c1Cl ZINC000631529709 372411202 /nfs/dbraw/zinc/41/12/02/372411202.db2.gz OIPYTOKXVOEMCC-PHDIDXHHSA-N 1 2 244.682 0.274 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000680054605 487528138 /nfs/dbraw/zinc/52/81/38/487528138.db2.gz KCDGTOHMKPGIDE-ZETCQYMHSA-N 1 2 215.322 0.913 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000680054605 487528141 /nfs/dbraw/zinc/52/81/41/487528141.db2.gz KCDGTOHMKPGIDE-ZETCQYMHSA-N 1 2 215.322 0.913 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CSC1 ZINC000631997004 372716691 /nfs/dbraw/zinc/71/66/91/372716691.db2.gz PNWYDQFEFLOENW-MRVPVSSYSA-N 1 2 237.328 0.746 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CSC1 ZINC000631997004 372716694 /nfs/dbraw/zinc/71/66/94/372716694.db2.gz PNWYDQFEFLOENW-MRVPVSSYSA-N 1 2 237.328 0.746 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171757859 372755876 /nfs/dbraw/zinc/75/58/76/372755876.db2.gz DLIBTTHBAJKORL-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO COC(C)(C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142493 372779309 /nfs/dbraw/zinc/77/93/09/372779309.db2.gz DIUOMDGSAZDEKF-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000078723143 182019361 /nfs/dbraw/zinc/01/93/61/182019361.db2.gz XFWRNEGZFKVGOY-QMMMGPOBSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378306508 182020541 /nfs/dbraw/zinc/02/05/41/182020541.db2.gz FEVLRUGXHWYEIC-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378306508 182020544 /nfs/dbraw/zinc/02/05/44/182020544.db2.gz FEVLRUGXHWYEIC-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)C ZINC000632405087 372923492 /nfs/dbraw/zinc/92/34/92/372923492.db2.gz IIDXPMFRCTYCEQ-MRVPVSSYSA-N 1 2 246.336 0.360 20 0 BCADLO O=C(C[C@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000128724407 182028859 /nfs/dbraw/zinc/02/88/59/182028859.db2.gz JIODHIYENKQCBL-SECBINFHSA-N 1 2 223.276 0.638 20 0 BCADLO O=C(Cc1ccn[nH]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367408388 182034652 /nfs/dbraw/zinc/03/46/52/182034652.db2.gz SLOJYCJDNGASBT-QMMMGPOBSA-N 1 2 244.245 0.018 20 0 BCADLO Cc1nocc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000632565762 373006870 /nfs/dbraw/zinc/00/68/70/373006870.db2.gz CRJHLFGIYREPCS-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NCCCO ZINC000035200954 182059140 /nfs/dbraw/zinc/05/91/40/182059140.db2.gz LBFJFZGFUJHTPW-UHFFFAOYSA-N 1 2 233.271 0.375 20 0 BCADLO O=C(Cn1cc(Cl)cn1)NCc1[nH]cc[nH+]1 ZINC000353479635 182066161 /nfs/dbraw/zinc/06/61/61/182066161.db2.gz ZHPWAQLSLIYIDX-UHFFFAOYSA-N 1 2 239.666 0.576 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCSC1 ZINC000360471911 182071098 /nfs/dbraw/zinc/07/10/98/182071098.db2.gz DGRWFSSDSAHNMW-VIFPVBQESA-N 1 2 225.317 0.752 20 0 BCADLO O=C(Cn1cccn1)N1CCn2cc[nH+]c2C1 ZINC000332285946 182068207 /nfs/dbraw/zinc/06/82/07/182068207.db2.gz XIVBBZILAOLCSC-UHFFFAOYSA-N 1 2 231.259 0.122 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccco1 ZINC000041391539 182071136 /nfs/dbraw/zinc/07/11/36/182071136.db2.gz QEXNDEIYMDBTAQ-UHFFFAOYSA-N 1 2 205.217 0.793 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CCC[C@H]21 ZINC000266851974 182071250 /nfs/dbraw/zinc/07/12/50/182071250.db2.gz PSDGMFBMYKFIGT-GHMZBOCLSA-N 1 2 235.287 0.663 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CCCCF ZINC000632756413 373127100 /nfs/dbraw/zinc/12/71/00/373127100.db2.gz KVZSGKDWHHNRHK-UHFFFAOYSA-N 1 2 249.311 0.921 20 0 BCADLO CC1CN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000632766254 373132585 /nfs/dbraw/zinc/13/25/85/373132585.db2.gz AZNUVPFTCHXOQB-UHFFFAOYSA-N 1 2 224.304 0.330 20 0 BCADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(O)CCC1 ZINC000273157981 182080401 /nfs/dbraw/zinc/08/04/01/182080401.db2.gz BFMQEZOCEOCSSG-UHFFFAOYSA-N 1 2 249.314 0.962 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCCOC1 ZINC000633034491 373256533 /nfs/dbraw/zinc/25/65/33/373256533.db2.gz NAWYWNXEPSTJGV-SECBINFHSA-N 1 2 238.291 0.730 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H](O)COC)C(=O)OC ZINC000172238358 205530744 /nfs/dbraw/zinc/53/07/44/205530744.db2.gz OTLSGZMUPBIOJO-GXSJLCMTSA-N 1 2 233.308 0.315 20 0 BCADLO O=C(C1CSC1)N1CCn2c[nH+]cc2C1 ZINC000633140762 373305721 /nfs/dbraw/zinc/30/57/21/373305721.db2.gz VYBUUCWTDQXJAX-UHFFFAOYSA-N 1 2 223.301 0.588 20 0 BCADLO O=C(NC1CC1)N[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000274011808 182096718 /nfs/dbraw/zinc/09/67/18/182096718.db2.gz OHVIRSVJTSJBQR-JTQLQIEISA-N 1 2 249.318 0.446 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191928820 182097460 /nfs/dbraw/zinc/09/74/60/182097460.db2.gz CEIOKCUTJRTRQZ-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000191928820 182097463 /nfs/dbraw/zinc/09/74/63/182097463.db2.gz CEIOKCUTJRTRQZ-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000264726746 182098410 /nfs/dbraw/zinc/09/84/10/182098410.db2.gz QGZJMJWALGWNEW-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccno1 ZINC000264726746 182098411 /nfs/dbraw/zinc/09/84/11/182098411.db2.gz QGZJMJWALGWNEW-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633179740 373327046 /nfs/dbraw/zinc/32/70/46/373327046.db2.gz HMLTYDMVKIEYAD-IUCAKERBSA-N 1 2 240.307 0.975 20 0 BCADLO CC[C@@H]1CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633205040 373343651 /nfs/dbraw/zinc/34/36/51/373343651.db2.gz WDYWDLAXBBDEDG-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CC(=O)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000633223049 373366488 /nfs/dbraw/zinc/36/64/88/373366488.db2.gz KGCJZFVEWJGOQY-LLVKDONJSA-N 1 2 242.319 0.143 20 0 BCADLO CC(=O)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000633223049 373366492 /nfs/dbraw/zinc/36/64/92/373366492.db2.gz KGCJZFVEWJGOQY-LLVKDONJSA-N 1 2 242.319 0.143 20 0 BCADLO CC[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)OC ZINC000633252809 373412223 /nfs/dbraw/zinc/41/22/23/373412223.db2.gz SVDCXUKDSSXYQC-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(O)CCC1 ZINC000633289520 373452347 /nfs/dbraw/zinc/45/23/47/373452347.db2.gz RQBZISBYQLEMCI-VIFPVBQESA-N 1 2 237.303 0.995 20 0 BCADLO CCOC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304798 373462151 /nfs/dbraw/zinc/46/21/51/373462151.db2.gz UWEMQVAVKKXINL-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCO)[C@@H](C)CC ZINC000181633214 205666417 /nfs/dbraw/zinc/66/64/17/205666417.db2.gz QXNBRXHPMJAPOO-DTWKUNHWSA-N 1 2 203.282 0.546 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633602380 373620071 /nfs/dbraw/zinc/62/00/71/373620071.db2.gz OPKLFUOYXWYQAU-JTQLQIEISA-N 1 2 238.291 0.283 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633602380 373620076 /nfs/dbraw/zinc/62/00/76/373620076.db2.gz OPKLFUOYXWYQAU-JTQLQIEISA-N 1 2 238.291 0.283 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000633684600 373684551 /nfs/dbraw/zinc/68/45/51/373684551.db2.gz HZXMDJIVYAVAOZ-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000633684600 373684556 /nfs/dbraw/zinc/68/45/56/373684556.db2.gz HZXMDJIVYAVAOZ-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO O=C(NCCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364964298 182166967 /nfs/dbraw/zinc/16/69/67/182166967.db2.gz VBUGDDJFHNUVCY-SECBINFHSA-N 1 2 225.267 0.921 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C(F)(F)F ZINC000060312230 182177450 /nfs/dbraw/zinc/17/74/50/182177450.db2.gz YVZPVKMEINITRH-UHFFFAOYSA-N 1 2 221.182 0.952 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)Nc1ccon1 ZINC000170588526 182186272 /nfs/dbraw/zinc/18/62/72/182186272.db2.gz JJKOZNVVBVBPPS-UHFFFAOYSA-N 1 2 240.263 0.128 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@H](O)C(F)F)c[nH+]1 ZINC000633999638 373883803 /nfs/dbraw/zinc/88/38/03/373883803.db2.gz MJWFWVHEPFYCMZ-ZETCQYMHSA-N 1 2 233.218 0.464 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1=CCCCC1 ZINC000339359188 182186525 /nfs/dbraw/zinc/18/65/25/182186525.db2.gz DELDUNAMEIGLON-UHFFFAOYSA-N 1 2 238.331 0.935 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)C1=COCCO1 ZINC000299237517 182188232 /nfs/dbraw/zinc/18/82/32/182188232.db2.gz ULLHXRUSZIXDJC-UHFFFAOYSA-N 1 2 249.270 0.498 20 0 BCADLO O=C(NCCO)C1CC[NH+](CC(F)F)CC1 ZINC000337343519 182190319 /nfs/dbraw/zinc/19/03/19/182190319.db2.gz XRPQQFVHKFNLQV-UHFFFAOYSA-N 1 2 236.262 0.072 20 0 BCADLO O=C(NCCO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000097334418 182193547 /nfs/dbraw/zinc/19/35/47/182193547.db2.gz ZMVGCAXMQLCLDJ-UHFFFAOYSA-N 1 2 245.282 0.654 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)O1 ZINC000634024610 373909403 /nfs/dbraw/zinc/90/94/03/373909403.db2.gz UPLINHXEOHLWPM-KXUCPTDWSA-N 1 2 223.276 0.565 20 0 BCADLO CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)COC1 ZINC000634189129 373997738 /nfs/dbraw/zinc/99/77/38/373997738.db2.gz PLAKJDJAIVTWTE-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@]12CCOC2 ZINC000373405200 182215444 /nfs/dbraw/zinc/21/54/44/182215444.db2.gz DYRJBZBDSLQLQQ-JQWIXIFHSA-N 1 2 235.287 0.426 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCS1 ZINC000266499394 182214451 /nfs/dbraw/zinc/21/44/51/182214451.db2.gz FUJWNHADXHUOKJ-VIFPVBQESA-N 1 2 225.317 0.895 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC1CCC1 ZINC000122912542 182214987 /nfs/dbraw/zinc/21/49/87/182214987.db2.gz VRHVESKNAWKFFC-UHFFFAOYSA-N 1 2 208.265 0.735 20 0 BCADLO CC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000634192057 374010899 /nfs/dbraw/zinc/01/08/99/374010899.db2.gz VYBMQMCMUBDSBU-MRVPVSSYSA-N 1 2 235.287 0.420 20 0 BCADLO CC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000634192057 374010903 /nfs/dbraw/zinc/01/09/03/374010903.db2.gz VYBMQMCMUBDSBU-MRVPVSSYSA-N 1 2 235.287 0.420 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)COC1 ZINC000634192807 374013299 /nfs/dbraw/zinc/01/32/99/374013299.db2.gz UNOUJZLYJORLAG-QMMMGPOBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)COC1 ZINC000634192807 374013307 /nfs/dbraw/zinc/01/33/07/374013307.db2.gz UNOUJZLYJORLAG-QMMMGPOBSA-N 1 2 223.276 0.493 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1(C)COC1)CC2 ZINC000634192704 374013590 /nfs/dbraw/zinc/01/35/90/374013590.db2.gz QFWSIFLBNKXLTL-JTQLQIEISA-N 1 2 249.314 0.659 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NOCC1CC1 ZINC000292345166 182215581 /nfs/dbraw/zinc/21/55/81/182215581.db2.gz PFNFAXFTVQBFSH-UHFFFAOYSA-N 1 2 224.264 0.524 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCCOC1 ZINC000171589842 182215675 /nfs/dbraw/zinc/21/56/75/182215675.db2.gz UNQWGFJVSZXWFF-SNVBAGLBSA-N 1 2 238.291 0.361 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@H]2C[C@H]21 ZINC000366121549 182215809 /nfs/dbraw/zinc/21/58/09/182215809.db2.gz ARRJDXRNSSFFJA-ZJUUUORDSA-N 1 2 236.275 0.066 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)c[nH]1 ZINC000340147013 182212584 /nfs/dbraw/zinc/21/25/84/182212584.db2.gz OHRJSHSNWHZXFL-UHFFFAOYSA-N 1 2 222.223 0.849 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000372742079 182220339 /nfs/dbraw/zinc/22/03/39/182220339.db2.gz PDTREUZWMOBQMW-WDEREUQCSA-N 1 2 249.314 0.333 20 0 BCADLO CC(C)(C(=O)NC1COC1)c1c[nH]c[nH+]1 ZINC000634259286 374072384 /nfs/dbraw/zinc/07/23/84/374072384.db2.gz QNENAVPEXXBMGH-UHFFFAOYSA-N 1 2 209.249 0.202 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCS1 ZINC000070819760 182274061 /nfs/dbraw/zinc/27/40/61/182274061.db2.gz PKBPWYCDHODONK-SSDOTTSWSA-N 1 2 211.290 0.922 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCO1 ZINC000070819753 182274066 /nfs/dbraw/zinc/27/40/66/182274066.db2.gz DBLJJARCHBIKQK-MRVPVSSYSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]nc1C1CC1 ZINC000274541374 182274629 /nfs/dbraw/zinc/27/46/29/182274629.db2.gz WAWGYIXKSWDDFO-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCOC1 ZINC000049341059 182268967 /nfs/dbraw/zinc/26/89/67/182268967.db2.gz STLJHEIZJWFLOE-JTQLQIEISA-N 1 2 245.282 0.987 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@H]2CCCOC2)n1 ZINC000194435340 206089569 /nfs/dbraw/zinc/08/95/69/206089569.db2.gz QLMPRHNFBXMWLI-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@H]2CCCOC2)n1 ZINC000194435340 206089581 /nfs/dbraw/zinc/08/95/81/206089581.db2.gz QLMPRHNFBXMWLI-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439286109 206075413 /nfs/dbraw/zinc/07/54/13/206075413.db2.gz LYAWPTGAOQJIIO-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439286109 206075417 /nfs/dbraw/zinc/07/54/17/206075417.db2.gz LYAWPTGAOQJIIO-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO CCOc1ccc2c(c1)CC[N@@H+](CC(N)=O)C2 ZINC000441090559 206080285 /nfs/dbraw/zinc/08/02/85/206080285.db2.gz MJMKRGGOHXZULN-UHFFFAOYSA-N 1 2 234.299 0.929 20 0 BCADLO CCOc1ccc2c(c1)CC[N@H+](CC(N)=O)C2 ZINC000441090559 206080291 /nfs/dbraw/zinc/08/02/91/206080291.db2.gz MJMKRGGOHXZULN-UHFFFAOYSA-N 1 2 234.299 0.929 20 0 BCADLO CCCNC(=O)Cn1ncc2c1nc[nH+]c2NC ZINC000194432643 206090781 /nfs/dbraw/zinc/09/07/81/206090781.db2.gz RVOFWHJAHGNTPI-UHFFFAOYSA-N 1 2 248.290 0.394 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccon1 ZINC000330289977 182314043 /nfs/dbraw/zinc/31/40/43/182314043.db2.gz CEYNQTPWTPLFEB-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364932062 182330199 /nfs/dbraw/zinc/33/01/99/182330199.db2.gz HORRMRJBTVIVRG-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CC[NH+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000459467363 206129561 /nfs/dbraw/zinc/12/95/61/206129561.db2.gz RTBZIQVXGUTOCA-RKDXNWHRSA-N 1 2 239.323 0.425 20 0 BCADLO O=C(Nc1ccc(F)cn1)[C@@H]1COCC[NH2+]1 ZINC000083874110 182358190 /nfs/dbraw/zinc/35/81/90/182358190.db2.gz MIAOOAQSZOTNDS-QMMMGPOBSA-N 1 2 225.223 0.148 20 0 BCADLO O=C(Nc1ccc(F)nc1)[C@H]1CSC[NH2+]1 ZINC000152639539 182360069 /nfs/dbraw/zinc/36/00/69/182360069.db2.gz BIXSOHCMVXVWII-SSDOTTSWSA-N 1 2 227.264 0.822 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1C[C@@H](O)C1 ZINC000297232572 182385048 /nfs/dbraw/zinc/38/50/48/182385048.db2.gz VTJOGXSSTGWIRX-AOOOYVTPSA-N 1 2 246.270 0.979 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000337772820 170079679 /nfs/dbraw/zinc/07/96/79/170079679.db2.gz OVMNRYGYDJYREN-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000337772820 170079680 /nfs/dbraw/zinc/07/96/80/170079680.db2.gz OVMNRYGYDJYREN-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CCC2)NCC1CC1 ZINC000178485051 134307326 /nfs/dbraw/zinc/30/73/26/134307326.db2.gz DONRAAUGRNBZLV-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO O=C(C[N@H+]1CCOCC12CCC2)NCC1CC1 ZINC000178485051 134307327 /nfs/dbraw/zinc/30/73/27/134307327.db2.gz DONRAAUGRNBZLV-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO CCOC(=O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000376132210 170219070 /nfs/dbraw/zinc/21/90/70/170219070.db2.gz LPKVFEOYYRGAJA-SECBINFHSA-N 1 2 213.277 0.518 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)CCSC ZINC000340678659 170217841 /nfs/dbraw/zinc/21/78/41/170217841.db2.gz UUSHMMAUAJGBEO-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)CCSC ZINC000340678659 170217843 /nfs/dbraw/zinc/21/78/43/170217843.db2.gz UUSHMMAUAJGBEO-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCO1 ZINC000364956474 182640640 /nfs/dbraw/zinc/64/06/40/182640640.db2.gz SMKGMOYGBLHGEN-JTQLQIEISA-N 1 2 235.287 1.000 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1CO ZINC000367394214 182638389 /nfs/dbraw/zinc/63/83/89/182638389.db2.gz LKWQCUNEIREMJR-UWVGGRQHSA-N 1 2 249.314 0.813 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H]1CO ZINC000275143726 182668294 /nfs/dbraw/zinc/66/82/94/182668294.db2.gz SLEIFBRIDIUDLB-NSHDSACASA-N 1 2 245.282 0.931 20 0 BCADLO OC1CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000334021075 183031135 /nfs/dbraw/zinc/03/11/35/183031135.db2.gz DBMYBINFNUGYCS-UHFFFAOYSA-N 1 2 206.249 0.232 20 0 BCADLO OC1CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000334021075 183031136 /nfs/dbraw/zinc/03/11/36/183031136.db2.gz DBMYBINFNUGYCS-UHFFFAOYSA-N 1 2 206.249 0.232 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329890362 183024097 /nfs/dbraw/zinc/02/40/97/183024097.db2.gz GDLRKCYZCSGOFX-JQWIXIFHSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329890362 183024099 /nfs/dbraw/zinc/02/40/99/183024099.db2.gz GDLRKCYZCSGOFX-JQWIXIFHSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCc2cncnc2C1 ZINC000330157472 183024192 /nfs/dbraw/zinc/02/41/92/183024192.db2.gz PKRDRAVTVKPSKU-LLVKDONJSA-N 1 2 232.287 0.954 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCc2cncnc2C1 ZINC000330157472 183024193 /nfs/dbraw/zinc/02/41/93/183024193.db2.gz PKRDRAVTVKPSKU-LLVKDONJSA-N 1 2 232.287 0.954 20 0 BCADLO O=c1[nH]nc(C[NH2+]C2(CCO)CCCCC2)[nH]1 ZINC000340839400 183042375 /nfs/dbraw/zinc/04/23/75/183042375.db2.gz QIUFYWAWJSLSBC-UHFFFAOYSA-N 1 2 240.307 0.685 20 0 BCADLO OCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000305874731 183055206 /nfs/dbraw/zinc/05/52/06/183055206.db2.gz PWYOZUPDTQNOCB-SECBINFHSA-N 1 2 210.281 0.714 20 0 BCADLO OCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000305874731 183055209 /nfs/dbraw/zinc/05/52/09/183055209.db2.gz PWYOZUPDTQNOCB-SECBINFHSA-N 1 2 210.281 0.714 20 0 BCADLO OCC[N@@H+](Cc1cccnc1)CC1OCCO1 ZINC000272277756 183070683 /nfs/dbraw/zinc/07/06/83/183070683.db2.gz NZJPOMWYJKHRHR-UHFFFAOYSA-N 1 2 238.287 0.249 20 0 BCADLO OCC[N@H+](Cc1cccnc1)CC1OCCO1 ZINC000272277756 183070686 /nfs/dbraw/zinc/07/06/86/183070686.db2.gz NZJPOMWYJKHRHR-UHFFFAOYSA-N 1 2 238.287 0.249 20 0 BCADLO OCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000336681089 183079426 /nfs/dbraw/zinc/07/94/26/183079426.db2.gz ONOBFVVRJZTWOY-JTQLQIEISA-N 1 2 218.260 0.476 20 0 BCADLO OCCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353166877 183082460 /nfs/dbraw/zinc/08/24/60/183082460.db2.gz DNIQDBXPCLQCGQ-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO OCCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000353166877 183082462 /nfs/dbraw/zinc/08/24/62/183082462.db2.gz DNIQDBXPCLQCGQ-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO OC[C@@H]1CCCCN1CC[N@@H+]1CCCOCC1 ZINC000361284867 183116549 /nfs/dbraw/zinc/11/65/49/183116549.db2.gz BFFJRRPONSXQEM-ZDUSSCGKSA-N 1 2 242.363 0.556 20 0 BCADLO OC[C@@H]1CCCCN1CC[N@H+]1CCCOCC1 ZINC000361284867 183116551 /nfs/dbraw/zinc/11/65/51/183116551.db2.gz BFFJRRPONSXQEM-ZDUSSCGKSA-N 1 2 242.363 0.556 20 0 BCADLO OC[C@@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CCCO1 ZINC000308952296 183110107 /nfs/dbraw/zinc/11/01/07/183110107.db2.gz VRRPFOIMYKVAOD-ZJUUUORDSA-N 1 2 211.265 0.039 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H](CO)C2CCCC2)[nH]1 ZINC000336670495 183141289 /nfs/dbraw/zinc/14/12/89/183141289.db2.gz HJYHYOLLTRJLDT-QMMMGPOBSA-N 1 2 226.280 0.151 20 0 BCADLO OC[C@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CCCO1 ZINC000308952291 183141834 /nfs/dbraw/zinc/14/18/34/183141834.db2.gz VRRPFOIMYKVAOD-UWVGGRQHSA-N 1 2 211.265 0.039 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000367452396 183129306 /nfs/dbraw/zinc/12/93/06/183129306.db2.gz UKORXDNWUPOMFA-WDSKDSINSA-N 1 2 233.268 0.148 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000367452396 183129309 /nfs/dbraw/zinc/12/93/09/183129309.db2.gz UKORXDNWUPOMFA-WDSKDSINSA-N 1 2 233.268 0.148 20 0 BCADLO OC[C@]1(F)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000338594593 183158952 /nfs/dbraw/zinc/15/89/52/183158952.db2.gz PUBMIEGSYHPEDE-BQBZGAKWSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@]1(F)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000338594593 183158955 /nfs/dbraw/zinc/15/89/55/183158955.db2.gz PUBMIEGSYHPEDE-BQBZGAKWSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@]1([NH2+]Cc2cscn2)CCOC1 ZINC000308517578 183159526 /nfs/dbraw/zinc/15/95/26/183159526.db2.gz OSINNCJFGLTUBI-SECBINFHSA-N 1 2 214.290 0.384 20 0 BCADLO OCc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC000291443530 183162747 /nfs/dbraw/zinc/16/27/47/183162747.db2.gz CAAIPAXXWZFFRO-UHFFFAOYSA-N 1 2 233.271 0.984 20 0 BCADLO O[C@@H](C[N@@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263109 183177185 /nfs/dbraw/zinc/17/71/85/183177185.db2.gz RTSQFOLENDQIKY-WDSKDSINSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@@H](C[N@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263109 183177189 /nfs/dbraw/zinc/17/71/89/183177189.db2.gz RTSQFOLENDQIKY-WDSKDSINSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@@H](C[NH2+][C@H]1CCn2ccnc21)C(F)(F)F ZINC000294055666 183180709 /nfs/dbraw/zinc/18/07/09/183180709.db2.gz JRFBLZSTEVTXRW-BQBZGAKWSA-N 1 2 235.209 0.841 20 0 BCADLO CCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000264249534 169056015 /nfs/dbraw/zinc/05/60/15/169056015.db2.gz YLWGNKZVUIFKIY-UHFFFAOYSA-N 1 2 210.281 0.972 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000061708443 183200396 /nfs/dbraw/zinc/20/03/96/183200396.db2.gz AZZNLLLOZPZWPW-LLVKDONJSA-N 1 2 245.286 0.229 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000061708443 183200397 /nfs/dbraw/zinc/20/03/97/183200397.db2.gz AZZNLLLOZPZWPW-LLVKDONJSA-N 1 2 245.286 0.229 20 0 BCADLO O[C@@H]1C[NH+](C/C(Cl)=C/Cl)C[C@H]1O ZINC000236541298 183207244 /nfs/dbraw/zinc/20/72/44/183207244.db2.gz KDMBJRJMDPQSQZ-QNQBXUMTSA-N 1 2 212.076 0.343 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000043999593 183193116 /nfs/dbraw/zinc/19/31/16/183193116.db2.gz SDSYBCMVBKCZKW-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000043999593 183193121 /nfs/dbraw/zinc/19/31/21/183193121.db2.gz SDSYBCMVBKCZKW-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO CCCN(CC(=O)OC)Cc1c[nH+]c[nH]1 ZINC000178871673 169100475 /nfs/dbraw/zinc/10/04/75/169100475.db2.gz IGCRWJWKVKFHBJ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCCN(CC(=O)OC)Cc1c[nH]c[nH+]1 ZINC000178871673 169100477 /nfs/dbraw/zinc/10/04/77/169100477.db2.gz IGCRWJWKVKFHBJ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000361322856 183210584 /nfs/dbraw/zinc/21/05/84/183210584.db2.gz APQZOSLCLXDDNU-UMNHJUIQSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000361322856 183210585 /nfs/dbraw/zinc/21/05/85/183210585.db2.gz APQZOSLCLXDDNU-UMNHJUIQSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000361322855 183210590 /nfs/dbraw/zinc/21/05/90/183210590.db2.gz APQZOSLCLXDDNU-HOSYDEDBSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000361322855 183210592 /nfs/dbraw/zinc/21/05/92/183210592.db2.gz APQZOSLCLXDDNU-HOSYDEDBSA-N 1 2 239.271 0.413 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1cc[nH]n1 ZINC000092382495 169093579 /nfs/dbraw/zinc/09/35/79/169093579.db2.gz RMYIKQHTCOYBJR-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc[nH]n1 ZINC000092382495 169093581 /nfs/dbraw/zinc/09/35/81/169093581.db2.gz RMYIKQHTCOYBJR-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CCCN(CC(=O)OC)Cc1c[nH+]cn1C ZINC000090233462 169101943 /nfs/dbraw/zinc/10/19/43/169101943.db2.gz HDPVXTACBYTKFN-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccnn1CC ZINC000130606858 169094530 /nfs/dbraw/zinc/09/45/30/169094530.db2.gz GHKQPNLWRFKMLE-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccnn1CC ZINC000130606858 169094531 /nfs/dbraw/zinc/09/45/31/169094531.db2.gz GHKQPNLWRFKMLE-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000061708442 183240532 /nfs/dbraw/zinc/24/05/32/183240532.db2.gz AZZNLLLOZPZWPW-NSHDSACASA-N 1 2 245.286 0.229 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000061708442 183240535 /nfs/dbraw/zinc/24/05/35/183240535.db2.gz AZZNLLLOZPZWPW-NSHDSACASA-N 1 2 245.286 0.229 20 0 BCADLO CCCN(CCC)C(=O)C[N@H+](C)CC(N)=O ZINC000338939761 169141067 /nfs/dbraw/zinc/14/10/67/169141067.db2.gz NDENPDSHKXELAR-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO CCCN(CCC)C(=O)C[N@@H+](C)CC(N)=O ZINC000338939761 169141070 /nfs/dbraw/zinc/14/10/70/169141070.db2.gz NDENPDSHKXELAR-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO Oc1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1Cl ZINC000294650344 183289191 /nfs/dbraw/zinc/28/91/91/183289191.db2.gz KTBKZYHMVQONRS-NXEZZACHSA-N 1 2 243.690 0.583 20 0 BCADLO CCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC000042452939 169161465 /nfs/dbraw/zinc/16/14/65/169161465.db2.gz CPZPTRZYXAGKCW-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)[nH]1 ZINC000340911522 183306551 /nfs/dbraw/zinc/30/65/51/183306551.db2.gz IHWNHVCWDCLRRR-DTWKUNHWSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)[nH]1 ZINC000340911522 183306552 /nfs/dbraw/zinc/30/65/52/183306552.db2.gz IHWNHVCWDCLRRR-DTWKUNHWSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)[nH]1 ZINC000340911525 183306929 /nfs/dbraw/zinc/30/69/29/183306929.db2.gz IHWNHVCWDCLRRR-RKDXNWHRSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)[nH]1 ZINC000340911525 183306931 /nfs/dbraw/zinc/30/69/31/183306931.db2.gz IHWNHVCWDCLRRR-RKDXNWHRSA-N 1 2 238.291 0.369 20 0 BCADLO CCCN(CCO)c1nc[nH+]c(N)c1Cl ZINC000227849418 169169494 /nfs/dbraw/zinc/16/94/94/169169494.db2.gz VTANOMQTPLRZHD-UHFFFAOYSA-N 1 2 230.699 0.921 20 0 BCADLO CCCN(CCO)c1[nH+]cnc(N)c1Cl ZINC000227849418 169169496 /nfs/dbraw/zinc/16/94/96/169169496.db2.gz VTANOMQTPLRZHD-UHFFFAOYSA-N 1 2 230.699 0.921 20 0 BCADLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000340916722 169181069 /nfs/dbraw/zinc/18/10/69/169181069.db2.gz RFQVQHLOQOSKJI-UHFFFAOYSA-N 1 2 228.296 0.493 20 0 BCADLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000340916722 169181070 /nfs/dbraw/zinc/18/10/70/169181070.db2.gz RFQVQHLOQOSKJI-UHFFFAOYSA-N 1 2 228.296 0.493 20 0 BCADLO CCC[N@@H+](Cc1nnn(C)n1)CC1CC1 ZINC000194436985 169181427 /nfs/dbraw/zinc/18/14/27/169181427.db2.gz JGSKJIKNVYKUEX-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CCC[N@H+](Cc1nnn(C)n1)CC1CC1 ZINC000194436985 169181429 /nfs/dbraw/zinc/18/14/29/169181429.db2.gz JGSKJIKNVYKUEX-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248525923 169205333 /nfs/dbraw/zinc/20/53/33/169205333.db2.gz CRVDUXOURUNKLV-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248525923 169205335 /nfs/dbraw/zinc/20/53/35/169205335.db2.gz CRVDUXOURUNKLV-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCCN1CCCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000189216323 169192517 /nfs/dbraw/zinc/19/25/17/169192517.db2.gz ANMSXOASMJZJLV-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CCC[NH+]1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000264040338 169201099 /nfs/dbraw/zinc/20/10/99/169201099.db2.gz PSXIBLAAAPZDRW-UHFFFAOYSA-N 1 2 222.292 0.578 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375327367 169223094 /nfs/dbraw/zinc/22/30/94/169223094.db2.gz ITFLQZAQUBKXGO-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000375327367 169223095 /nfs/dbraw/zinc/22/30/95/169223095.db2.gz ITFLQZAQUBKXGO-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nccn1C ZINC000035148402 169227908 /nfs/dbraw/zinc/22/79/08/169227908.db2.gz DLFKXJJZIKDKIZ-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000345358290 169229761 /nfs/dbraw/zinc/22/97/61/169229761.db2.gz WVDAPNHDFZHJSL-SECBINFHSA-N 1 2 222.292 0.444 20 0 BCADLO CCCNC(=O)CNc1[nH+]cnc2c1cnn2C ZINC000035149772 169230408 /nfs/dbraw/zinc/23/04/08/169230408.db2.gz UHPDAKKWGYSPMB-UHFFFAOYSA-N 1 2 248.290 0.301 20 0 BCADLO CCCNC(=O)CC[NH2+]Cc1csnn1 ZINC000045072643 169217362 /nfs/dbraw/zinc/21/73/62/169217362.db2.gz CODPNIBKMGKLPU-UHFFFAOYSA-N 1 2 228.321 0.544 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000367857130 169221542 /nfs/dbraw/zinc/22/15/42/169221542.db2.gz NMTNLOWMQYHQNR-NSHDSACASA-N 1 2 232.299 0.309 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000367857130 169221544 /nfs/dbraw/zinc/22/15/44/169221544.db2.gz NMTNLOWMQYHQNR-NSHDSACASA-N 1 2 232.299 0.309 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186331222 169221600 /nfs/dbraw/zinc/22/16/00/169221600.db2.gz ILDJBVFSNNUWNE-LBPRGKRZSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186331222 169221602 /nfs/dbraw/zinc/22/16/02/169221602.db2.gz ILDJBVFSNNUWNE-LBPRGKRZSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000368583403 169222030 /nfs/dbraw/zinc/22/20/30/169222030.db2.gz OAGLIWBPKVIOES-ONGXEEELSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000368583403 169222031 /nfs/dbraw/zinc/22/20/31/169222031.db2.gz OAGLIWBPKVIOES-ONGXEEELSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342184217 169242519 /nfs/dbraw/zinc/24/25/19/169242519.db2.gz QZVFWVPWRAEEMK-MXWKQRLJSA-N 1 2 226.320 0.764 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342184217 169242521 /nfs/dbraw/zinc/24/25/21/169242521.db2.gz QZVFWVPWRAEEMK-MXWKQRLJSA-N 1 2 226.320 0.764 20 0 BCADLO c1c[nH+]c(CNc2ccccc2-n2cnnn2)[nH]1 ZINC000049715103 183386985 /nfs/dbraw/zinc/38/69/85/183386985.db2.gz PEANSWJZVIRMAX-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO CCCNS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000293210476 169270293 /nfs/dbraw/zinc/27/02/93/169270293.db2.gz ZUFLNAMEZCOFOE-UHFFFAOYSA-N 1 2 246.336 0.096 20 0 BCADLO CCCOC(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264765058 169297682 /nfs/dbraw/zinc/29/76/82/169297682.db2.gz HOXYEDUZKDRHFY-UHFFFAOYSA-N 1 2 239.275 0.791 20 0 BCADLO CCCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000061035410 169329811 /nfs/dbraw/zinc/32/98/11/169329811.db2.gz MJIOBAJBJDZEJJ-UHFFFAOYSA-N 1 2 231.321 0.592 20 0 BCADLO CCCS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000057460837 169331063 /nfs/dbraw/zinc/33/10/63/169331063.db2.gz GDIQCXNKXWPXPT-UHFFFAOYSA-N 1 2 220.338 0.364 20 0 BCADLO CCC[C@@H](C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000354604194 169361272 /nfs/dbraw/zinc/36/12/72/169361272.db2.gz IXGZEBLGKABMBP-LLVKDONJSA-N 1 2 248.392 1.000 20 0 BCADLO CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1nc[nH]n1C ZINC000354929015 169397426 /nfs/dbraw/zinc/39/74/26/169397426.db2.gz HHSFJUDGFXAGPS-SECBINFHSA-N 1 2 239.323 0.342 20 0 BCADLO c1cnn(Cc2noc(CCn3cc[nH+]c3)n2)c1 ZINC000522248242 259621749 /nfs/dbraw/zinc/62/17/49/259621749.db2.gz ILYIQBBYGDYCKR-UHFFFAOYSA-N 1 2 244.258 0.754 20 0 BCADLO COC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492866937 532976224 /nfs/dbraw/zinc/97/62/24/532976224.db2.gz QVZDGBJAVNTPQQ-ARJAWSKDSA-N 1 2 221.260 0.670 20 0 BCADLO COC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493125316 532976466 /nfs/dbraw/zinc/97/64/66/532976466.db2.gz GJJPIVHCRZODOM-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184833959 134369512 /nfs/dbraw/zinc/36/95/12/134369512.db2.gz IFQVHBMOYUBNFB-KXUCPTDWSA-N 1 2 242.319 0.572 20 0 BCADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H](C)CO ZINC000291069477 383824961 /nfs/dbraw/zinc/82/49/61/383824961.db2.gz QNKSFDITZMOQHD-RKDXNWHRSA-N 1 2 240.307 0.236 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCOCC1 ZINC000370921114 383842861 /nfs/dbraw/zinc/84/28/61/383842861.db2.gz AHNMIDALTWXNHK-UHFFFAOYSA-N 1 2 221.322 0.143 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCOCC1 ZINC000370921114 383842865 /nfs/dbraw/zinc/84/28/65/383842865.db2.gz AHNMIDALTWXNHK-UHFFFAOYSA-N 1 2 221.322 0.143 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CC2)n1C ZINC000048347617 383846753 /nfs/dbraw/zinc/84/67/53/383846753.db2.gz OFAGXYLFLARYKT-UHFFFAOYSA-N 1 2 210.281 0.080 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CC2)n1C ZINC000048347617 383846761 /nfs/dbraw/zinc/84/67/61/383846761.db2.gz OFAGXYLFLARYKT-UHFFFAOYSA-N 1 2 210.281 0.080 20 0 BCADLO CCc1cnc(C[N@H+](CCO)C[C@H](C)O)o1 ZINC000518443520 383874884 /nfs/dbraw/zinc/87/48/84/383874884.db2.gz IFBTXXZHLHOGLS-VIFPVBQESA-N 1 2 228.292 0.412 20 0 BCADLO CCc1cnc(C[N@@H+](CCO)C[C@H](C)O)o1 ZINC000518443520 383874892 /nfs/dbraw/zinc/87/48/92/383874892.db2.gz IFBTXXZHLHOGLS-VIFPVBQESA-N 1 2 228.292 0.412 20 0 BCADLO COc1ncncc1CNc1ccc(CO)c[nH+]1 ZINC000647211767 383927238 /nfs/dbraw/zinc/92/72/38/383927238.db2.gz YBPINFWFGOPSGU-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO CC[C@@H](O)CC(=O)Nc1cc[nH+]cc1C ZINC000560080009 383884421 /nfs/dbraw/zinc/88/44/21/383884421.db2.gz FBKQFJYBTHYXSR-SECBINFHSA-N 1 2 208.261 0.911 20 0 BCADLO CSC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000066755867 383886201 /nfs/dbraw/zinc/88/62/01/383886201.db2.gz PELJMLAZDNUHRZ-VIFPVBQESA-N 1 2 227.333 0.998 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000066833679 383891605 /nfs/dbraw/zinc/89/16/05/383891605.db2.gz ZKSDGIVUHXDNDM-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000066833679 383891611 /nfs/dbraw/zinc/89/16/11/383891611.db2.gz ZKSDGIVUHXDNDM-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N(C)C ZINC000066864535 383895118 /nfs/dbraw/zinc/89/51/18/383895118.db2.gz USIWRCRKJBIYGF-SNVBAGLBSA-N 1 2 221.304 0.953 20 0 BCADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N(C)C ZINC000066864535 383895121 /nfs/dbraw/zinc/89/51/21/383895121.db2.gz USIWRCRKJBIYGF-SNVBAGLBSA-N 1 2 221.304 0.953 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)C(=O)NC(C)(C)C ZINC000066990772 383903031 /nfs/dbraw/zinc/90/30/31/383903031.db2.gz HCLFLURQCNBTCE-MRVPVSSYSA-N 1 2 224.308 0.803 20 0 BCADLO COC(=O)c1ncn(Cc2cc(OC)cc[nH+]2)n1 ZINC000112225646 383903431 /nfs/dbraw/zinc/90/34/31/383903431.db2.gz SHOVJZRRDRXPSY-UHFFFAOYSA-N 1 2 248.242 0.517 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1cccnn1 ZINC000052831175 383993868 /nfs/dbraw/zinc/99/38/68/383993868.db2.gz JDTSITLQAGKCQF-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO CS[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000569408167 383997993 /nfs/dbraw/zinc/99/79/93/383997993.db2.gz XTNOIXQMUMGBTO-QMMMGPOBSA-N 1 2 227.333 0.830 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CC(O)C1 ZINC000070609157 383937693 /nfs/dbraw/zinc/93/76/93/383937693.db2.gz XDWVXLPFFYMJKM-UHFFFAOYSA-N 1 2 203.245 0.754 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[C@H]1O ZINC000089166965 383937771 /nfs/dbraw/zinc/93/77/71/383937771.db2.gz GTOPQZAVDZZBNV-WCBMZHEXSA-N 1 2 247.302 0.936 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[C@H]1O ZINC000089162947 383937989 /nfs/dbraw/zinc/93/79/89/383937989.db2.gz FHJZAUSOCWJBDI-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO CSCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000569366592 383952230 /nfs/dbraw/zinc/95/22/30/383952230.db2.gz BUKPKCDVEKWZNW-MRVPVSSYSA-N 1 2 245.373 0.964 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC[C@@H](C)O ZINC000560186406 383958039 /nfs/dbraw/zinc/95/80/39/383958039.db2.gz NZBCIEZLFMQRNO-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC[C@@H](C)O ZINC000560186406 383958046 /nfs/dbraw/zinc/95/80/46/383958046.db2.gz NZBCIEZLFMQRNO-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000113274045 383973188 /nfs/dbraw/zinc/97/31/88/383973188.db2.gz XEEPRCYUIPMEES-SNVBAGLBSA-N 1 2 245.348 0.849 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000497137533 383975159 /nfs/dbraw/zinc/97/51/59/383975159.db2.gz YXIZPYJDVFWTGY-UTLUCORTSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000497137533 383975164 /nfs/dbraw/zinc/97/51/64/383975164.db2.gz YXIZPYJDVFWTGY-UTLUCORTSA-N 1 2 228.292 0.546 20 0 BCADLO CO[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368113228 383976281 /nfs/dbraw/zinc/97/62/81/383976281.db2.gz IHKDZBLNJBAWPY-DJLDLDEBSA-N 1 2 248.273 0.667 20 0 BCADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368113230 383976471 /nfs/dbraw/zinc/97/64/71/383976471.db2.gz IHKDZBLNJBAWPY-IWSPIJDZSA-N 1 2 248.273 0.667 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009590 384022075 /nfs/dbraw/zinc/02/20/75/384022075.db2.gz HYZFRQFRKSDLCS-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009590 384022083 /nfs/dbraw/zinc/02/20/83/384022083.db2.gz HYZFRQFRKSDLCS-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCn1ccc(C[NH2+]Cc2cncnc2OC)n1 ZINC000647217903 384046848 /nfs/dbraw/zinc/04/68/48/384046848.db2.gz MAZQERXKNXPHQS-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CN(c1nc[nH+]c(N)c1Cl)[C@H]1CCOC1 ZINC000234326223 384051263 /nfs/dbraw/zinc/05/12/63/384051263.db2.gz KPDTWIXZQUSKMZ-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO CN(c1[nH+]cnc(N)c1Cl)[C@H]1CCOC1 ZINC000234326223 384051268 /nfs/dbraw/zinc/05/12/68/384051268.db2.gz KPDTWIXZQUSKMZ-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000090794534 384052474 /nfs/dbraw/zinc/05/24/74/384052474.db2.gz LSHBHXOXYJBENV-VIFPVBQESA-N 1 2 221.260 0.784 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)[C@H]1CCCOC1 ZINC000518580773 384034852 /nfs/dbraw/zinc/03/48/52/384034852.db2.gz FVGLLDRNJWXBNJ-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)[C@H]1CCCOC1 ZINC000518580773 384034860 /nfs/dbraw/zinc/03/48/60/384034860.db2.gz FVGLLDRNJWXBNJ-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1cc[nH]n1 ZINC000114461097 384037551 /nfs/dbraw/zinc/03/75/51/384037551.db2.gz SUXRFIJSPYCZOI-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1cc[nH]n1 ZINC000114461097 384037553 /nfs/dbraw/zinc/03/75/53/384037553.db2.gz SUXRFIJSPYCZOI-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO CC[N@H+](CCO)CC(=O)OC(C)(C)C ZINC000049754427 384039270 /nfs/dbraw/zinc/03/92/70/384039270.db2.gz AOZRCKVYCTXJAS-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO CC[N@@H+](CCO)CC(=O)OC(C)(C)C ZINC000049754427 384039272 /nfs/dbraw/zinc/03/92/72/384039272.db2.gz AOZRCKVYCTXJAS-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ncn(C)n1 ZINC000401813397 384055901 /nfs/dbraw/zinc/05/59/01/384055901.db2.gz GYAHSHRPQXHQMU-VGMNWLOBSA-N 1 2 210.281 0.643 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156030163 384090822 /nfs/dbraw/zinc/09/08/22/384090822.db2.gz SDKNPIVLZLMUBX-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO CC[N@H+](CCn1cccn1)CC(=O)OC ZINC000049947540 384069820 /nfs/dbraw/zinc/06/98/20/384069820.db2.gz WLSVCHDUYDHPEP-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO CC[N@@H+](CCn1cccn1)CC(=O)OC ZINC000049947540 384069828 /nfs/dbraw/zinc/06/98/28/384069828.db2.gz WLSVCHDUYDHPEP-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO CNC(=O)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000560346915 384081333 /nfs/dbraw/zinc/08/13/33/384081333.db2.gz YAZGMKQVZXKTIS-UHFFFAOYSA-N 1 2 244.298 0.708 20 0 BCADLO CCOC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569465411 384081811 /nfs/dbraw/zinc/08/18/11/384081811.db2.gz QJJJMRMUKRADMF-UHFFFAOYSA-N 1 2 228.292 0.008 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000332644591 384097254 /nfs/dbraw/zinc/09/72/54/384097254.db2.gz LARZKKZIJKUCQJ-VHSXEESVSA-N 1 2 238.335 0.894 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000332644591 384097258 /nfs/dbraw/zinc/09/72/58/384097258.db2.gz LARZKKZIJKUCQJ-VHSXEESVSA-N 1 2 238.335 0.894 20 0 BCADLO CCN(CCn1cc[nH+]c1)CC(=O)OC ZINC000050066240 384105616 /nfs/dbraw/zinc/10/56/16/384105616.db2.gz DFBCRNARKKOLGK-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO OC[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000050104394 384106937 /nfs/dbraw/zinc/10/69/37/384106937.db2.gz IPMKBQKXVXBXGJ-VIFPVBQESA-N 1 2 237.307 0.212 20 0 BCADLO OC[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000050104394 384106939 /nfs/dbraw/zinc/10/69/39/384106939.db2.gz IPMKBQKXVXBXGJ-VIFPVBQESA-N 1 2 237.307 0.212 20 0 BCADLO Cc1nc(C[NH+](CCO)CCO)oc1C ZINC000050103254 384107729 /nfs/dbraw/zinc/10/77/29/384107729.db2.gz FHGSCQCODZRFMW-UHFFFAOYSA-N 1 2 214.265 0.078 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1O ZINC000269342585 384117613 /nfs/dbraw/zinc/11/76/13/384117613.db2.gz CEOTVUJERXTLFH-UWVGGRQHSA-N 1 2 223.276 0.303 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)CS(C)(=O)=O)s1 ZINC000132215347 384147540 /nfs/dbraw/zinc/14/75/40/384147540.db2.gz FQRLYYUWVHFTAT-SSDOTTSWSA-N 1 2 248.373 0.974 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)Cc1ccoc1 ZINC000330363652 384149659 /nfs/dbraw/zinc/14/96/59/384149659.db2.gz OBGLJQNEJCLGCQ-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccoc1 ZINC000330363652 384149668 /nfs/dbraw/zinc/14/96/68/384149668.db2.gz OBGLJQNEJCLGCQ-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000071089680 384150401 /nfs/dbraw/zinc/15/04/01/384150401.db2.gz XFEIXTPYXFOUSG-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCOC(=O)CCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227768256 134393145 /nfs/dbraw/zinc/39/31/45/134393145.db2.gz ZDJUVQJSJOXAHS-LLVKDONJSA-N 1 2 243.303 0.871 20 0 BCADLO COC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227767116 134393211 /nfs/dbraw/zinc/39/32/11/134393211.db2.gz KKNKHWNYTKNGIR-APPZFPTMSA-N 1 2 201.266 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000157139145 384157637 /nfs/dbraw/zinc/15/76/37/384157637.db2.gz JYJLAWCBVDCOQG-NSHDSACASA-N 1 2 238.335 0.811 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000157139145 384157640 /nfs/dbraw/zinc/15/76/40/384157640.db2.gz JYJLAWCBVDCOQG-NSHDSACASA-N 1 2 238.335 0.811 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCc1cn[nH]c1 ZINC000290454139 384174468 /nfs/dbraw/zinc/17/44/68/384174468.db2.gz DSRRKRCISTWDIY-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000116994756 384160399 /nfs/dbraw/zinc/16/03/99/384160399.db2.gz RFHFRUMTRQCYID-BYDTYLDUSA-N 1 2 238.740 0.362 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000116994756 384160402 /nfs/dbraw/zinc/16/04/02/384160402.db2.gz RFHFRUMTRQCYID-BYDTYLDUSA-N 1 2 238.740 0.362 20 0 BCADLO O=C1C[N@H+](CCn2cncn2)[C@H]2CCCC[C@H]2N1 ZINC000268297557 384168003 /nfs/dbraw/zinc/16/80/03/384168003.db2.gz UBWKWTZCDLTIBP-MNOVXSKESA-N 1 2 249.318 0.021 20 0 BCADLO O=C1C[N@@H+](CCn2cncn2)[C@H]2CCCC[C@H]2N1 ZINC000268297557 384168009 /nfs/dbraw/zinc/16/80/09/384168009.db2.gz UBWKWTZCDLTIBP-MNOVXSKESA-N 1 2 249.318 0.021 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356517885 384178479 /nfs/dbraw/zinc/17/84/79/384178479.db2.gz VKTGUGLCXRBGMM-GDPRMGEGSA-N 1 2 235.287 0.461 20 0 BCADLO CC[C@@H](C(=O)NCCCn1cc[nH+]c1)[C@H](C)O ZINC000357310501 384179390 /nfs/dbraw/zinc/17/93/90/384179390.db2.gz VSSKTRJCDRNSFO-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093050752 384206757 /nfs/dbraw/zinc/20/67/57/384206757.db2.gz STDCLUWRIGSGKE-NSHDSACASA-N 1 2 221.304 0.736 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093050752 384206762 /nfs/dbraw/zinc/20/67/62/384206762.db2.gz STDCLUWRIGSGKE-NSHDSACASA-N 1 2 221.304 0.736 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccnn1C ZINC000093055296 384206881 /nfs/dbraw/zinc/20/68/81/384206881.db2.gz KCLMZIVXOAUYHB-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000093055296 384206885 /nfs/dbraw/zinc/20/68/85/384206885.db2.gz KCLMZIVXOAUYHB-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000092643779 384186942 /nfs/dbraw/zinc/18/69/42/384186942.db2.gz ATAQHJNNJICEOM-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000092643779 384186947 /nfs/dbraw/zinc/18/69/47/384186947.db2.gz ATAQHJNNJICEOM-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)o1 ZINC000092735251 384191786 /nfs/dbraw/zinc/19/17/86/384191786.db2.gz NRIFNJQNWKTRDL-NSHDSACASA-N 1 2 238.287 0.528 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)o1 ZINC000092735251 384191788 /nfs/dbraw/zinc/19/17/88/384191788.db2.gz NRIFNJQNWKTRDL-NSHDSACASA-N 1 2 238.287 0.528 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000628121918 384192479 /nfs/dbraw/zinc/19/24/79/384192479.db2.gz BSWGKHOIKUNCDV-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000628121918 384192485 /nfs/dbraw/zinc/19/24/85/384192485.db2.gz BSWGKHOIKUNCDV-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO C[C@@]1(F)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000336270117 384198601 /nfs/dbraw/zinc/19/86/01/384198601.db2.gz LHQXSNIQXCVEHN-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO C[C@@]1(F)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000336270117 384198604 /nfs/dbraw/zinc/19/86/04/384198604.db2.gz LHQXSNIQXCVEHN-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO COC1CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000488382350 533049655 /nfs/dbraw/zinc/04/96/55/533049655.db2.gz VCXZKAINFSOYJV-UHFFFAOYSA-N 1 2 223.280 0.081 20 0 BCADLO COC1CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000488382350 533049658 /nfs/dbraw/zinc/04/96/58/533049658.db2.gz VCXZKAINFSOYJV-UHFFFAOYSA-N 1 2 223.280 0.081 20 0 BCADLO Cn1ccc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000093084491 384209102 /nfs/dbraw/zinc/20/91/02/384209102.db2.gz GHKOBMORIFCIET-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1ccc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000093084491 384209106 /nfs/dbraw/zinc/20/91/06/384209106.db2.gz GHKOBMORIFCIET-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132255406 384222738 /nfs/dbraw/zinc/22/27/38/384222738.db2.gz PZJVMHYJNJVZJA-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1ccnc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000082394988 384226896 /nfs/dbraw/zinc/22/68/96/384226896.db2.gz WUFYPFZSAMLDEF-ZCFIWIBFSA-N 1 2 223.198 0.433 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351815575 384227213 /nfs/dbraw/zinc/22/72/13/384227213.db2.gz WOIYTVYHYPSMDJ-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351815575 384227217 /nfs/dbraw/zinc/22/72/17/384227217.db2.gz WOIYTVYHYPSMDJ-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000378027437 384261959 /nfs/dbraw/zinc/26/19/59/384261959.db2.gz QHCPZORNLTXUSM-GMTAPVOTSA-N 1 2 235.287 0.461 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@@H](O)C2)sc1C ZINC000295409084 384278411 /nfs/dbraw/zinc/27/84/11/384278411.db2.gz BUNLWJMTHCSHTF-JTQLQIEISA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@@H](O)C2)sc1C ZINC000295409084 384278418 /nfs/dbraw/zinc/27/84/18/384278418.db2.gz BUNLWJMTHCSHTF-JTQLQIEISA-N 1 2 242.344 0.953 20 0 BCADLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000132998265 384265736 /nfs/dbraw/zinc/26/57/36/384265736.db2.gz HMEOGSHRZSIFBK-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccsc1 ZINC000000228978 384273950 /nfs/dbraw/zinc/27/39/50/384273950.db2.gz PYTKEDVWDHMHGL-VHSXEESVSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccsc1 ZINC000000228978 384273956 /nfs/dbraw/zinc/27/39/56/384273956.db2.gz PYTKEDVWDHMHGL-VHSXEESVSA-N 1 2 241.312 0.856 20 0 BCADLO C[NH+](C)CC(=O)Nc1ccc2n[nH]nc2c1 ZINC000133768041 384310685 /nfs/dbraw/zinc/31/06/85/384310685.db2.gz SVTDQXDAKLBZKZ-UHFFFAOYSA-N 1 2 219.248 0.458 20 0 BCADLO C[NH+](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000133768041 384310690 /nfs/dbraw/zinc/31/06/90/384310690.db2.gz SVTDQXDAKLBZKZ-UHFFFAOYSA-N 1 2 219.248 0.458 20 0 BCADLO C[C@H]([NH2+]Cc1csnn1)C(=O)NC(C)(C)C ZINC000159253250 384315205 /nfs/dbraw/zinc/31/52/05/384315205.db2.gz IVHTUCFQVXDCCF-ZETCQYMHSA-N 1 2 242.348 0.931 20 0 BCADLO CCOC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000304467698 384321102 /nfs/dbraw/zinc/32/11/02/384321102.db2.gz NCDQNGDPDPAAQJ-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO CCOC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000304467698 384321104 /nfs/dbraw/zinc/32/11/04/384321104.db2.gz NCDQNGDPDPAAQJ-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000304414372 384286685 /nfs/dbraw/zinc/28/66/85/384286685.db2.gz CPJUOMFUMLRINM-DTORHVGOSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000304414372 384286688 /nfs/dbraw/zinc/28/66/88/384286688.db2.gz CPJUOMFUMLRINM-DTORHVGOSA-N 1 2 219.292 0.999 20 0 BCADLO COC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000304507316 384335790 /nfs/dbraw/zinc/33/57/90/384335790.db2.gz QWTXHBSCYQQGMY-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO COC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000304507316 384335796 /nfs/dbraw/zinc/33/57/96/384335796.db2.gz QWTXHBSCYQQGMY-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1cnc(CN(C)CC[NH+]2CCOCC2)o1 ZINC000075713495 384336091 /nfs/dbraw/zinc/33/60/91/384336091.db2.gz KJHOAWZTSGGMGO-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1cnc(C[N@H+](C)CCN2CCOCC2)o1 ZINC000075713495 384336096 /nfs/dbraw/zinc/33/60/96/384336096.db2.gz KJHOAWZTSGGMGO-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCN2CCOCC2)o1 ZINC000075713495 384336099 /nfs/dbraw/zinc/33/60/99/384336099.db2.gz KJHOAWZTSGGMGO-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1nc(NC[C@@]2(C)CCCO2)nc(N)[nH+]1 ZINC000304517125 384344318 /nfs/dbraw/zinc/34/43/18/384344318.db2.gz RSKUYABVEDQYLB-SNVBAGLBSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(NC[C@@]2(C)CCCO2)[nH+]1 ZINC000304517125 384344323 /nfs/dbraw/zinc/34/43/23/384344323.db2.gz RSKUYABVEDQYLB-SNVBAGLBSA-N 1 2 223.280 0.743 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000120370718 384348557 /nfs/dbraw/zinc/34/85/57/384348557.db2.gz BFQWWUMIKNGZNG-GFCCVEGCSA-N 1 2 248.330 0.777 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000120370718 384348564 /nfs/dbraw/zinc/34/85/64/384348564.db2.gz BFQWWUMIKNGZNG-GFCCVEGCSA-N 1 2 248.330 0.777 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@H]1C ZINC000120434305 384352676 /nfs/dbraw/zinc/35/26/76/384352676.db2.gz OQYZBJSBJATZAQ-SECBINFHSA-N 1 2 248.286 0.742 20 0 BCADLO COc1nccnc1C[NH+]1CCC(O)CC1 ZINC000095076448 384352766 /nfs/dbraw/zinc/35/27/66/384352766.db2.gz FEOAFQSRWLGSHN-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000083995529 384354156 /nfs/dbraw/zinc/35/41/56/384354156.db2.gz DVMNINHNJHLGEC-SNVBAGLBSA-N 1 2 224.308 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000083995529 384354161 /nfs/dbraw/zinc/35/41/61/384354161.db2.gz DVMNINHNJHLGEC-SNVBAGLBSA-N 1 2 224.308 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000083995527 384354774 /nfs/dbraw/zinc/35/47/74/384354774.db2.gz DVMNINHNJHLGEC-JTQLQIEISA-N 1 2 224.308 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](CO)C1 ZINC000083995527 384354779 /nfs/dbraw/zinc/35/47/79/384354779.db2.gz DVMNINHNJHLGEC-JTQLQIEISA-N 1 2 224.308 0.673 20 0 BCADLO COC(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000497132927 384363344 /nfs/dbraw/zinc/36/33/44/384363344.db2.gz PPSYBUPYBFJVJP-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO CN(C)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134540397 384363707 /nfs/dbraw/zinc/36/37/07/384363707.db2.gz JLSJVPZPLPVEED-UHFFFAOYSA-N 1 2 246.336 0.011 20 0 BCADLO CO[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304536625 384369193 /nfs/dbraw/zinc/36/91/93/384369193.db2.gz VEENIXATAMVVJQ-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CO[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304536625 384369200 /nfs/dbraw/zinc/36/92/00/384369200.db2.gz VEENIXATAMVVJQ-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N[C@H]2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC000304478806 384325308 /nfs/dbraw/zinc/32/53/08/384325308.db2.gz OFOQKYDTWMPBMD-XPUUQOCRSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCOC[C@@H]2C)[nH+]1 ZINC000304478806 384325314 /nfs/dbraw/zinc/32/53/14/384325314.db2.gz OFOQKYDTWMPBMD-XPUUQOCRSA-N 1 2 223.280 0.599 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cccnc1 ZINC000533448746 384328862 /nfs/dbraw/zinc/32/88/62/384328862.db2.gz XXRKTYWFHSSIIA-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cccnc1 ZINC000533448746 384328865 /nfs/dbraw/zinc/32/88/65/384328865.db2.gz XXRKTYWFHSSIIA-LBPRGKRZSA-N 1 2 233.315 0.835 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000160250365 384395583 /nfs/dbraw/zinc/39/55/83/384395583.db2.gz CHAFOTVCTLEVOH-VHSXEESVSA-N 1 2 225.292 0.406 20 0 BCADLO CCO[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000302615952 384395881 /nfs/dbraw/zinc/39/58/81/384395881.db2.gz MHQNWIBUKLUDSO-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CCO[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000302615952 384395886 /nfs/dbraw/zinc/39/58/86/384395886.db2.gz MHQNWIBUKLUDSO-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CC(C)c1nnc([C@@H](C)[NH2+]C2COC2)[nH]1 ZINC000308889873 384404161 /nfs/dbraw/zinc/40/41/61/384404161.db2.gz XFFNFXWXZKBRRV-SSDOTTSWSA-N 1 2 210.281 0.978 20 0 BCADLO C[C@H](CCO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000160656460 384425438 /nfs/dbraw/zinc/42/54/38/384425438.db2.gz XOMPAJQHENYMFI-MRVPVSSYSA-N 1 2 248.290 0.427 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000121907574 384444772 /nfs/dbraw/zinc/44/47/72/384444772.db2.gz PFXVLOROZNUXRV-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO CC[C@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047602364 384457642 /nfs/dbraw/zinc/45/76/42/384457642.db2.gz JDIYMUZMOIGRJE-NXEZZACHSA-N 1 2 240.307 0.342 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000427180493 384455040 /nfs/dbraw/zinc/45/50/40/384455040.db2.gz YZFSFCFAJYXPPD-SECBINFHSA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000427180493 384455045 /nfs/dbraw/zinc/45/50/45/384455045.db2.gz YZFSFCFAJYXPPD-SECBINFHSA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000427180493 384455051 /nfs/dbraw/zinc/45/50/51/384455051.db2.gz YZFSFCFAJYXPPD-SECBINFHSA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000427180493 384455056 /nfs/dbraw/zinc/45/50/56/384455056.db2.gz YZFSFCFAJYXPPD-SECBINFHSA-N 1 2 249.318 0.932 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1nnc[nH]1 ZINC000095042151 384429189 /nfs/dbraw/zinc/42/91/89/384429189.db2.gz HJXLTCRZJXHTOD-UHFFFAOYSA-N 1 2 234.263 0.211 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ncn[nH]1 ZINC000095042151 384429197 /nfs/dbraw/zinc/42/91/97/384429197.db2.gz HJXLTCRZJXHTOD-UHFFFAOYSA-N 1 2 234.263 0.211 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1nc[nH]n1 ZINC000095042151 384429201 /nfs/dbraw/zinc/42/92/01/384429201.db2.gz HJXLTCRZJXHTOD-UHFFFAOYSA-N 1 2 234.263 0.211 20 0 BCADLO Cc1noc(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000560993007 384439054 /nfs/dbraw/zinc/43/90/54/384439054.db2.gz JWESZQMWPSJXDB-UHFFFAOYSA-N 1 2 234.259 0.804 20 0 BCADLO CCN(CCO)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047028609 384442476 /nfs/dbraw/zinc/44/24/76/384442476.db2.gz KMGJNPBFXUQSQN-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000101553470 384442811 /nfs/dbraw/zinc/44/28/11/384442811.db2.gz BQBCKZQUKYWDDX-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000101553470 384442818 /nfs/dbraw/zinc/44/28/18/384442818.db2.gz BQBCKZQUKYWDDX-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@H](O)C(C)(C)Nc1[nH+]cnc2c1cnn2C ZINC000161098760 384463589 /nfs/dbraw/zinc/46/35/89/384463589.db2.gz JQACKQHBLSWIGM-SSDOTTSWSA-N 1 2 235.291 0.935 20 0 BCADLO C[C@H](O)C(C)(C)Nc1[nH+]cnc2c1cnn2C ZINC000161098638 384464222 /nfs/dbraw/zinc/46/42/22/384464222.db2.gz JQACKQHBLSWIGM-ZETCQYMHSA-N 1 2 235.291 0.935 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249069524 384477342 /nfs/dbraw/zinc/47/73/42/384477342.db2.gz KSQGMNYMUPCIDO-LPEHRKFASA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249069524 384477346 /nfs/dbraw/zinc/47/73/46/384477346.db2.gz KSQGMNYMUPCIDO-LPEHRKFASA-N 1 2 243.303 0.679 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCCO ZINC000551661895 384482121 /nfs/dbraw/zinc/48/21/21/384482121.db2.gz CDDSZKPYEYIXEQ-JTQLQIEISA-N 1 2 247.360 0.739 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCCO ZINC000551661895 384482128 /nfs/dbraw/zinc/48/21/28/384482128.db2.gz CDDSZKPYEYIXEQ-JTQLQIEISA-N 1 2 247.360 0.739 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)CO ZINC000566437675 384497226 /nfs/dbraw/zinc/49/72/26/384497226.db2.gz SFBDPJMHDORBPN-UHFFFAOYSA-N 1 2 208.261 0.769 20 0 BCADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000556810665 384497849 /nfs/dbraw/zinc/49/78/49/384497849.db2.gz NVYPHLCGVPKXEJ-SFYZADRCSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000556810665 384497857 /nfs/dbraw/zinc/49/78/57/384497857.db2.gz NVYPHLCGVPKXEJ-SFYZADRCSA-N 1 2 238.295 0.259 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000249501124 384504315 /nfs/dbraw/zinc/50/43/15/384504315.db2.gz XGOXMDRYXGWEEV-HTQZYQBOSA-N 1 2 241.295 0.012 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000249501124 384504319 /nfs/dbraw/zinc/50/43/19/384504319.db2.gz XGOXMDRYXGWEEV-HTQZYQBOSA-N 1 2 241.295 0.012 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1nccs1 ZINC000330731299 384494007 /nfs/dbraw/zinc/49/40/07/384494007.db2.gz IYEZHOMCKWIDCF-JTQLQIEISA-N 1 2 244.316 0.499 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1nccs1 ZINC000330731299 384494012 /nfs/dbraw/zinc/49/40/12/384494012.db2.gz IYEZHOMCKWIDCF-JTQLQIEISA-N 1 2 244.316 0.499 20 0 BCADLO CS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000048904139 384513616 /nfs/dbraw/zinc/51/36/16/384513616.db2.gz IOIMACKQUMHLOR-UHFFFAOYSA-N 1 2 239.300 0.426 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000556844116 384520871 /nfs/dbraw/zinc/52/08/71/384520871.db2.gz NPKMTPWBXUKEOL-SNVBAGLBSA-N 1 2 223.276 0.283 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](CO)C1CC1 ZINC000359826040 384525355 /nfs/dbraw/zinc/52/53/55/384525355.db2.gz YMBDNRHTIOOASJ-SNVBAGLBSA-N 1 2 237.303 0.477 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000372950044 384543011 /nfs/dbraw/zinc/54/30/11/384543011.db2.gz FAQFPCFYQOMYRU-UTLUCORTSA-N 1 2 211.261 0.459 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172293877 384562337 /nfs/dbraw/zinc/56/23/37/384562337.db2.gz OJACSZMTNHNILR-NSHDSACASA-N 1 2 239.319 0.393 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172293877 384562341 /nfs/dbraw/zinc/56/23/41/384562341.db2.gz OJACSZMTNHNILR-NSHDSACASA-N 1 2 239.319 0.393 20 0 BCADLO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353725663 384541271 /nfs/dbraw/zinc/54/12/71/384541271.db2.gz QNPABEAVPJZFCK-XCBNKYQSSA-N 1 2 237.307 0.063 20 0 BCADLO O=C([C@@H]1CCCS1)N1CC[NH+](CCO)CC1 ZINC000069985802 384568829 /nfs/dbraw/zinc/56/88/29/384568829.db2.gz BOCGYFZGWHAVPB-JTQLQIEISA-N 1 2 244.360 0.019 20 0 BCADLO COCC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000306093694 384569947 /nfs/dbraw/zinc/56/99/47/384569947.db2.gz MVNSJMLIQXNWLW-UHFFFAOYSA-N 1 2 237.307 0.625 20 0 BCADLO COCC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000306093694 384569954 /nfs/dbraw/zinc/56/99/54/384569954.db2.gz MVNSJMLIQXNWLW-UHFFFAOYSA-N 1 2 237.307 0.625 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000310029554 384574729 /nfs/dbraw/zinc/57/47/29/384574729.db2.gz QQMUQXYTZMLSFX-BBBLOLIVSA-N 1 2 233.308 0.171 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000097989522 384581242 /nfs/dbraw/zinc/58/12/42/384581242.db2.gz QFGBBBIRDCZDOR-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000097989522 384581248 /nfs/dbraw/zinc/58/12/48/384581248.db2.gz QFGBBBIRDCZDOR-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nnc(C)n1C ZINC000050055060 384587491 /nfs/dbraw/zinc/58/74/91/384587491.db2.gz LBUACRJPQYTXTO-UHFFFAOYSA-N 1 2 240.307 0.509 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nnc(C)n1C ZINC000050055060 384587499 /nfs/dbraw/zinc/58/74/99/384587499.db2.gz LBUACRJPQYTXTO-UHFFFAOYSA-N 1 2 240.307 0.509 20 0 BCADLO CN1C(=O)C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000184275544 384588319 /nfs/dbraw/zinc/58/83/19/384588319.db2.gz IJRVQRBHIGPYDZ-QMMMGPOBSA-N 1 2 246.270 0.523 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000164674391 384588488 /nfs/dbraw/zinc/58/84/88/384588488.db2.gz QNXFNEZCIUACEQ-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000164674391 384588493 /nfs/dbraw/zinc/58/84/93/384588493.db2.gz QNXFNEZCIUACEQ-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1CC=CC1 ZINC000151540143 384591187 /nfs/dbraw/zinc/59/11/87/384591187.db2.gz XHQDBOBPLGLVIZ-UHFFFAOYSA-N 1 2 238.331 0.743 20 0 BCADLO Cc1n[nH]c(C(=O)NCC[NH+]2CCC2)c1C ZINC000533566303 384603270 /nfs/dbraw/zinc/60/32/70/384603270.db2.gz SQMUHNNTCQEMKJ-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000172574020 384603484 /nfs/dbraw/zinc/60/34/84/384603484.db2.gz FSVCYKKDZCRMSK-LLVKDONJSA-N 1 2 237.303 0.954 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000172574020 384603491 /nfs/dbraw/zinc/60/34/91/384603491.db2.gz FSVCYKKDZCRMSK-LLVKDONJSA-N 1 2 237.303 0.954 20 0 BCADLO Cc1nc(N[C@@H]2CCSC2)nc(N)[nH+]1 ZINC000306380733 384614939 /nfs/dbraw/zinc/61/49/39/384614939.db2.gz VTDWZTQROWKZJZ-ZCFIWIBFSA-N 1 2 211.294 0.680 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCSC2)[nH+]1 ZINC000306380733 384614948 /nfs/dbraw/zinc/61/49/48/384614948.db2.gz VTDWZTQROWKZJZ-ZCFIWIBFSA-N 1 2 211.294 0.680 20 0 BCADLO Cc1nc(N2CCS(=O)(=O)[C@H](C)C2)cc[nH+]1 ZINC000172762021 384621943 /nfs/dbraw/zinc/62/19/43/384621943.db2.gz CZLGWNPYJCPTKY-MRVPVSSYSA-N 1 2 241.316 0.408 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000151604322 384627473 /nfs/dbraw/zinc/62/74/73/384627473.db2.gz OQWPXEIXHVPSIF-QMMMGPOBSA-N 1 2 247.258 0.776 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000556900527 384628647 /nfs/dbraw/zinc/62/86/47/384628647.db2.gz RLUVWYXSIOUUIA-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000556900527 384628653 /nfs/dbraw/zinc/62/86/53/384628653.db2.gz RLUVWYXSIOUUIA-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H]([NH2+]C1COC1)c1nnc2n1CCCC2 ZINC000309811957 384630548 /nfs/dbraw/zinc/63/05/48/384630548.db2.gz UKXDLGHXEUDMNE-QMMMGPOBSA-N 1 2 222.292 0.664 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1CC1 ZINC000531117654 384591531 /nfs/dbraw/zinc/59/15/31/384591531.db2.gz YPZIWFPPDDEQFJ-SECBINFHSA-N 1 2 243.332 0.601 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1nccs1 ZINC000050115153 384595120 /nfs/dbraw/zinc/59/51/20/384595120.db2.gz XDJPDZADHRWTAT-MRVPVSSYSA-N 1 2 241.316 0.538 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1nccs1 ZINC000050115153 384595127 /nfs/dbraw/zinc/59/51/27/384595127.db2.gz XDJPDZADHRWTAT-MRVPVSSYSA-N 1 2 241.316 0.538 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000520913900 384632203 /nfs/dbraw/zinc/63/22/03/384632203.db2.gz WYZOCUQCMIUHBY-ZJUUUORDSA-N 1 2 225.292 0.406 20 0 BCADLO Cc1n[nH]c(C(=O)NCC[NH+](C)C)c1C ZINC000082303736 384663138 /nfs/dbraw/zinc/66/31/38/384663138.db2.gz LPZSGZWPLZLMBF-UHFFFAOYSA-N 1 2 210.281 0.318 20 0 BCADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000061707968 384670357 /nfs/dbraw/zinc/67/03/57/384670357.db2.gz ACVTZQQTBNBXHU-MRVPVSSYSA-N 1 2 225.292 0.934 20 0 BCADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000061707968 384670361 /nfs/dbraw/zinc/67/03/61/384670361.db2.gz ACVTZQQTBNBXHU-MRVPVSSYSA-N 1 2 225.292 0.934 20 0 BCADLO Cc1nn(C)c(C)c1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000082268253 384655519 /nfs/dbraw/zinc/65/55/19/384655519.db2.gz QUWFHIDIBWZQJJ-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO CCOCC[NH2+]C(C)(C)C(=O)OCC ZINC000102826551 384655795 /nfs/dbraw/zinc/65/57/95/384655795.db2.gz AQSQWJDFWHNOJA-UHFFFAOYSA-N 1 2 203.282 0.954 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](O)C1 ZINC000360112566 384660729 /nfs/dbraw/zinc/66/07/29/384660729.db2.gz YZUHSDCWQOXPDE-JTQLQIEISA-N 1 2 238.291 0.086 20 0 BCADLO C[C@@H](CO)Nc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000125918853 384724252 /nfs/dbraw/zinc/72/42/52/384724252.db2.gz JQHGGBDLRNPZDL-YUMQZZPRSA-N 1 2 226.280 0.062 20 0 BCADLO C[N@H+](CCO)Cc1nnc(-c2ccco2)o1 ZINC000049633604 384679506 /nfs/dbraw/zinc/67/95/06/384679506.db2.gz HOESKNOFLUDHML-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO C[N@@H+](CCO)Cc1nnc(-c2ccco2)o1 ZINC000049633604 384679512 /nfs/dbraw/zinc/67/95/12/384679512.db2.gz HOESKNOFLUDHML-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO O=C1NC[C@H](C[N@@H+]2CCc3ncccc3C2)O1 ZINC000368331205 384680479 /nfs/dbraw/zinc/68/04/79/384680479.db2.gz NFJZLDOJIKTPJF-SNVBAGLBSA-N 1 2 233.271 0.548 20 0 BCADLO O=C1NC[C@H](C[N@H+]2CCc3ncccc3C2)O1 ZINC000368331205 384680483 /nfs/dbraw/zinc/68/04/83/384680483.db2.gz NFJZLDOJIKTPJF-SNVBAGLBSA-N 1 2 233.271 0.548 20 0 BCADLO Nc1ncc(C[N@@H+]2CCNC(=O)CC2)s1 ZINC000086766202 384681755 /nfs/dbraw/zinc/68/17/55/384681755.db2.gz IBDDIYVLUVFDIN-UHFFFAOYSA-N 1 2 226.305 0.047 20 0 BCADLO Nc1ncc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000086766202 384681764 /nfs/dbraw/zinc/68/17/64/384681764.db2.gz IBDDIYVLUVFDIN-UHFFFAOYSA-N 1 2 226.305 0.047 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1CO ZINC000104961601 384726628 /nfs/dbraw/zinc/72/66/28/384726628.db2.gz LQFAXEIAHJFADB-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@@H]1CO ZINC000104961601 384726633 /nfs/dbraw/zinc/72/66/33/384726633.db2.gz LQFAXEIAHJFADB-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO COCC[C@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000309663202 384705403 /nfs/dbraw/zinc/70/54/03/384705403.db2.gz SDKJUMZIIXNXIK-NSHDSACASA-N 1 2 225.292 0.695 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)NC(C)C)CC2 ZINC000363701555 384711727 /nfs/dbraw/zinc/71/17/27/384711727.db2.gz PEKSTZIKAXSCKC-UHFFFAOYSA-N 1 2 236.319 0.532 20 0 BCADLO Cc1ccc([C@H](O)C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000173788860 384720405 /nfs/dbraw/zinc/72/04/05/384720405.db2.gz VHSLRUJPQCSMOQ-CYBMUJFWSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1ccc([C@H](O)C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000173788860 384720412 /nfs/dbraw/zinc/72/04/12/384720412.db2.gz VHSLRUJPQCSMOQ-CYBMUJFWSA-N 1 2 248.326 0.802 20 0 BCADLO CC[C@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000083467494 384777238 /nfs/dbraw/zinc/77/72/38/384777238.db2.gz UILYHAVIJVLOSW-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO COc1ncc(C[N@H+](CC(N)=O)C(C)C)s1 ZINC000643885599 384729426 /nfs/dbraw/zinc/72/94/26/384729426.db2.gz NBWWXGKFZKELPE-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO COc1ncc(C[N@@H+](CC(N)=O)C(C)C)s1 ZINC000643885599 384729430 /nfs/dbraw/zinc/72/94/30/384729430.db2.gz NBWWXGKFZKELPE-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO C[C@@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000125625796 384734247 /nfs/dbraw/zinc/73/42/47/384734247.db2.gz WFHXYONYYPWVQS-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000536365170 384744321 /nfs/dbraw/zinc/74/43/21/384744321.db2.gz LZWGFVHDRHLOJV-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000536365170 384744327 /nfs/dbraw/zinc/74/43/27/384744327.db2.gz LZWGFVHDRHLOJV-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000052723162 384746743 /nfs/dbraw/zinc/74/67/43/384746743.db2.gz CGAGJKPSYAUAAW-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000052722246 384746785 /nfs/dbraw/zinc/74/67/85/384746785.db2.gz ORVZWJMDHIHAOY-SNVBAGLBSA-N 1 2 235.287 0.801 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(N)c1 ZINC000052722246 384746791 /nfs/dbraw/zinc/74/67/91/384746791.db2.gz ORVZWJMDHIHAOY-SNVBAGLBSA-N 1 2 235.287 0.801 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccon1 ZINC000531051014 384746783 /nfs/dbraw/zinc/74/67/83/384746783.db2.gz NBNYWHCEFYTGHY-SECBINFHSA-N 1 2 234.259 0.619 20 0 BCADLO COC(=O)[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000309963862 384750780 /nfs/dbraw/zinc/75/07/80/384750780.db2.gz MNTJDBWAUFJXFR-SNVBAGLBSA-N 1 2 225.248 0.121 20 0 BCADLO COC(=O)[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000309987300 384768138 /nfs/dbraw/zinc/76/81/38/384768138.db2.gz YWAJUZFVSPLMPF-JTQLQIEISA-N 1 2 225.248 0.121 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298753 384768856 /nfs/dbraw/zinc/76/88/56/384768856.db2.gz NVAZLKGGNYNFBI-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC(N)=O)s1 ZINC000126094352 384768901 /nfs/dbraw/zinc/76/89/01/384768901.db2.gz MYEFJBKOBFTHGT-LURJTMIESA-N 1 2 242.304 0.297 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1cnccn1 ZINC000174645951 384819946 /nfs/dbraw/zinc/81/99/46/384819946.db2.gz PMIIPCCTNIUVIV-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1cnccn1 ZINC000174645951 384819952 /nfs/dbraw/zinc/81/99/52/384819952.db2.gz PMIIPCCTNIUVIV-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CC1(C)C[N@@H+](Cc2csnn2)C[C@@H]1O ZINC000306841693 384838221 /nfs/dbraw/zinc/83/82/21/384838221.db2.gz ATIJVMZMLMQAIU-QMMMGPOBSA-N 1 2 213.306 0.741 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000310074293 384820917 /nfs/dbraw/zinc/82/09/17/384820917.db2.gz CIFQTOBNIPNTQE-MMWGEVLESA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CC[C@H](C)O1 ZINC000310074293 384820921 /nfs/dbraw/zinc/82/09/21/384820921.db2.gz CIFQTOBNIPNTQE-MMWGEVLESA-N 1 2 243.303 0.162 20 0 BCADLO COCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635701230 384823107 /nfs/dbraw/zinc/82/31/07/384823107.db2.gz VDPFVZMSZKNNFB-RKDXNWHRSA-N 1 2 235.287 0.808 20 0 BCADLO COCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635701230 384823114 /nfs/dbraw/zinc/82/31/14/384823114.db2.gz VDPFVZMSZKNNFB-RKDXNWHRSA-N 1 2 235.287 0.808 20 0 BCADLO CC1(C)C[N@H+](Cc2csnn2)C[C@@H]1O ZINC000306841693 384838213 /nfs/dbraw/zinc/83/82/13/384838213.db2.gz ATIJVMZMLMQAIU-QMMMGPOBSA-N 1 2 213.306 0.741 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(O)CC1 ZINC000126761593 384826206 /nfs/dbraw/zinc/82/62/06/384826206.db2.gz IVIFFMGVJFXFSZ-UHFFFAOYSA-N 1 2 247.302 0.715 20 0 BCADLO CCc1cc(N)nc(S[C@@H]2CCNC2=O)[nH+]1 ZINC000279109394 384826827 /nfs/dbraw/zinc/82/68/27/384826827.db2.gz RFJCMSSPDUOANR-SSDOTTSWSA-N 1 2 238.316 0.602 20 0 BCADLO CCCc1noc(C[NH2+]C(C)(C)CC(N)=O)n1 ZINC000186238932 384829414 /nfs/dbraw/zinc/82/94/14/384829414.db2.gz KCEAXRVDRTYFLX-UHFFFAOYSA-N 1 2 240.307 0.766 20 0 BCADLO CONC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163294141 384788580 /nfs/dbraw/zinc/78/85/80/384788580.db2.gz IQNFJFYMKCCQTN-SECBINFHSA-N 1 2 236.275 0.521 20 0 BCADLO CONC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163294257 384789452 /nfs/dbraw/zinc/78/94/52/384789452.db2.gz IQNFJFYMKCCQTN-VIFPVBQESA-N 1 2 236.275 0.521 20 0 BCADLO COC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000308547210 384796610 /nfs/dbraw/zinc/79/66/10/384796610.db2.gz WCXSYKZXQIXJGF-BDAKNGLRSA-N 1 2 201.266 0.564 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000186321696 384836756 /nfs/dbraw/zinc/83/67/56/384836756.db2.gz RXIOVYVGQQZDNH-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnn(C)c1 ZINC000186321696 384836763 /nfs/dbraw/zinc/83/67/63/384836763.db2.gz RXIOVYVGQQZDNH-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1cnccc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873740 384809138 /nfs/dbraw/zinc/80/91/38/384809138.db2.gz HNLJFTJHFBPEOV-JTQLQIEISA-N 1 2 221.260 0.317 20 0 BCADLO c1nnc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000105879856 384809729 /nfs/dbraw/zinc/80/97/29/384809729.db2.gz WXPAUHMWPLJRNL-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1nnc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000105879856 384809732 /nfs/dbraw/zinc/80/97/32/384809732.db2.gz WXPAUHMWPLJRNL-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO CN(CC(C)(C)O)C(=O)NCc1c[nH+]cn1C ZINC000360290877 384814434 /nfs/dbraw/zinc/81/44/34/384814434.db2.gz SLEBXLCQZCDTFB-UHFFFAOYSA-N 1 2 240.307 0.332 20 0 BCADLO O=C1C[N@H+](C[C@H](O)Cc2ccccc2)CCN1 ZINC000026197252 384870513 /nfs/dbraw/zinc/87/05/13/384870513.db2.gz POOKGJWDKHPXST-GFCCVEGCSA-N 1 2 234.299 0.022 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)Cc2ccccc2)CCN1 ZINC000026197252 384870523 /nfs/dbraw/zinc/87/05/23/384870523.db2.gz POOKGJWDKHPXST-GFCCVEGCSA-N 1 2 234.299 0.022 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000528430802 384875758 /nfs/dbraw/zinc/87/57/58/384875758.db2.gz UXTPNSJJXWGKSY-LPJHWYKZSA-N 1 2 243.694 0.365 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000528430802 384875761 /nfs/dbraw/zinc/87/57/61/384875761.db2.gz UXTPNSJJXWGKSY-LPJHWYKZSA-N 1 2 243.694 0.365 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H](C)COC)C1 ZINC000557199996 384881490 /nfs/dbraw/zinc/88/14/90/384881490.db2.gz OYDCZUHVVWFUOG-SECBINFHSA-N 1 2 235.349 0.388 20 0 BCADLO CCc1nc(C[N@H+](CCO)CCCO)cs1 ZINC000163953788 384882154 /nfs/dbraw/zinc/88/21/54/384882154.db2.gz PLZOSCQKBFXNCB-UHFFFAOYSA-N 1 2 244.360 0.882 20 0 BCADLO CCc1nc(C[N@@H+](CCO)CCCO)cs1 ZINC000163953788 384882164 /nfs/dbraw/zinc/88/21/64/384882164.db2.gz PLZOSCQKBFXNCB-UHFFFAOYSA-N 1 2 244.360 0.882 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1CN(C)C(=O)O1)C(C)C ZINC000497199074 384858185 /nfs/dbraw/zinc/85/81/85/384858185.db2.gz BGNSKPZRQLZWJB-SECBINFHSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1CN(C)C(=O)O1)C(C)C ZINC000497199074 384858189 /nfs/dbraw/zinc/85/81/89/384858189.db2.gz BGNSKPZRQLZWJB-SECBINFHSA-N 1 2 244.291 0.320 20 0 BCADLO Cc1cnc(C(=O)NCC[NH+]2CCC2)c(O)c1 ZINC000427626454 384860775 /nfs/dbraw/zinc/86/07/75/384860775.db2.gz PISMRBZPJGZZSW-UHFFFAOYSA-N 1 2 235.287 0.531 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](O)C3(CC3)C2)cc[nH+]1 ZINC000336291273 384957248 /nfs/dbraw/zinc/95/72/48/384957248.db2.gz ZFNUOMUDSDBWKY-NSHDSACASA-N 1 2 247.298 0.801 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCN(C)C(=O)C1 ZINC000127369795 384892038 /nfs/dbraw/zinc/89/20/38/384892038.db2.gz XXRJTZBBBKMCPZ-UHFFFAOYSA-N 1 2 222.292 0.301 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127369795 384892042 /nfs/dbraw/zinc/89/20/42/384892042.db2.gz XXRJTZBBBKMCPZ-UHFFFAOYSA-N 1 2 222.292 0.301 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000105934749 384893637 /nfs/dbraw/zinc/89/36/37/384893637.db2.gz UWECGXXVKZJXIS-VXNVDRBHSA-N 1 2 238.291 0.052 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000177160572 384895697 /nfs/dbraw/zinc/89/56/97/384895697.db2.gz GJFVSNBGSCXJGU-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364045970 384902467 /nfs/dbraw/zinc/90/24/67/384902467.db2.gz WALJVDZQWNFHBB-ZJUUUORDSA-N 1 2 237.303 0.190 20 0 BCADLO COC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000127611606 384908124 /nfs/dbraw/zinc/90/81/24/384908124.db2.gz KZJSALCFIMPNGP-MRVPVSSYSA-N 1 2 211.252 0.969 20 0 BCADLO COC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000127611606 384908127 /nfs/dbraw/zinc/90/81/27/384908127.db2.gz KZJSALCFIMPNGP-MRVPVSSYSA-N 1 2 211.252 0.969 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2[nH]ncc2C)C1 ZINC000289620296 384916314 /nfs/dbraw/zinc/91/63/14/384916314.db2.gz WFTOKZQIQNTTKZ-UHFFFAOYSA-N 1 2 224.264 0.258 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2n[nH]cc2C)C1 ZINC000289620296 384916319 /nfs/dbraw/zinc/91/63/19/384916319.db2.gz WFTOKZQIQNTTKZ-UHFFFAOYSA-N 1 2 224.264 0.258 20 0 BCADLO O=S(=O)(CCCF)NCCn1cc[nH+]c1 ZINC000175498911 384918089 /nfs/dbraw/zinc/91/80/89/384918089.db2.gz HGZNMIVBUCQJDV-UHFFFAOYSA-N 1 2 235.284 0.162 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000301794174 384920560 /nfs/dbraw/zinc/92/05/60/384920560.db2.gz XWSFIFBOXCUTBR-CBAPKCEASA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000301794174 384920563 /nfs/dbraw/zinc/92/05/63/384920563.db2.gz XWSFIFBOXCUTBR-CBAPKCEASA-N 1 2 242.348 0.978 20 0 BCADLO CC[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000234038848 384920812 /nfs/dbraw/zinc/92/08/12/384920812.db2.gz SAWLHPDBORBKDZ-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO CC[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000234038848 384920816 /nfs/dbraw/zinc/92/08/16/384920816.db2.gz SAWLHPDBORBKDZ-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CCC2)N1CCCC1 ZINC000135493454 384926036 /nfs/dbraw/zinc/92/60/36/384926036.db2.gz IUFSUDWKKMLMDD-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO O=C(C[N@H+]1CCOCC12CCC2)N1CCCC1 ZINC000135493454 384926040 /nfs/dbraw/zinc/92/60/40/384926040.db2.gz IUFSUDWKKMLMDD-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO C[N@H+](CCC(N)=O)CC(=O)OC(C)(C)C ZINC000312951482 384926842 /nfs/dbraw/zinc/92/68/42/384926842.db2.gz BKUYHMMETUPNLR-UHFFFAOYSA-N 1 2 216.281 0.135 20 0 BCADLO C[N@@H+](CCC(N)=O)CC(=O)OC(C)(C)C ZINC000312951482 384926848 /nfs/dbraw/zinc/92/68/48/384926848.db2.gz BKUYHMMETUPNLR-UHFFFAOYSA-N 1 2 216.281 0.135 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367620056 384932991 /nfs/dbraw/zinc/93/29/91/384932991.db2.gz PXJUQJYSIDBBBX-SNVBAGLBSA-N 1 2 236.319 0.855 20 0 BCADLO CCc1cc(N)nc(SCc2nn[nH]n2)[nH+]1 ZINC000279132391 384933910 /nfs/dbraw/zinc/93/39/10/384933910.db2.gz WLPKQAMAEXLJKS-UHFFFAOYSA-N 1 2 237.292 0.427 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367615139 384934251 /nfs/dbraw/zinc/93/42/51/384934251.db2.gz KAKFWODXTHZLNA-KOLCDFICSA-N 1 2 239.319 0.774 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)OC1CCOCC1 ZINC000497283134 384938350 /nfs/dbraw/zinc/93/83/50/384938350.db2.gz MRNIVESKMULJSG-UHFFFAOYSA-N 1 2 239.275 0.825 20 0 BCADLO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000566230857 384965171 /nfs/dbraw/zinc/96/51/71/384965171.db2.gz FIUXLRIFVVCCII-YUMQZZPRSA-N 1 2 225.279 0.999 20 0 BCADLO CCC[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000260202212 384970365 /nfs/dbraw/zinc/97/03/65/384970365.db2.gz FSPJIODVGZXEKY-UHFFFAOYSA-N 1 2 223.276 0.964 20 0 BCADLO CCC[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000260202212 384970371 /nfs/dbraw/zinc/97/03/71/384970371.db2.gz FSPJIODVGZXEKY-UHFFFAOYSA-N 1 2 223.276 0.964 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)NCC(C)C ZINC000115572952 384973252 /nfs/dbraw/zinc/97/32/52/384973252.db2.gz PAWJGCIJVVNCQX-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)NCC(C)C ZINC000115572952 384973260 /nfs/dbraw/zinc/97/32/60/384973260.db2.gz PAWJGCIJVVNCQX-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000128067343 384989267 /nfs/dbraw/zinc/98/92/67/384989267.db2.gz ZXWUVIDNDGZLGG-UHFFFAOYSA-N 1 2 226.276 0.292 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000128067343 384989274 /nfs/dbraw/zinc/98/92/74/384989274.db2.gz ZXWUVIDNDGZLGG-UHFFFAOYSA-N 1 2 226.276 0.292 20 0 BCADLO COC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339723584 385023667 /nfs/dbraw/zinc/02/36/67/385023667.db2.gz GSJTXFZYPHTZBJ-SNVBAGLBSA-N 1 2 215.293 0.546 20 0 BCADLO C[C@H](O)CCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000128249662 385018579 /nfs/dbraw/zinc/01/85/79/385018579.db2.gz HRRBJOOTKNBEPC-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+](Cc2ncnn2C)C1 ZINC000401591338 384964656 /nfs/dbraw/zinc/96/46/56/384964656.db2.gz RIFYBVMYHAHRRJ-DTWKUNHWSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ncnn2C)C1 ZINC000401591338 384964660 /nfs/dbraw/zinc/96/46/60/384964660.db2.gz RIFYBVMYHAHRRJ-DTWKUNHWSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ccnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000530776300 385052200 /nfs/dbraw/zinc/05/22/00/385052200.db2.gz YZOOGLHDWUNUPK-UHFFFAOYSA-N 1 2 240.288 0.128 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000364142237 385055457 /nfs/dbraw/zinc/05/54/57/385055457.db2.gz KBPRETJMNBZYBB-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000364142237 385055467 /nfs/dbraw/zinc/05/54/67/385055467.db2.gz KBPRETJMNBZYBB-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@H](O)C2CC2)C1 ZINC000646916773 385057298 /nfs/dbraw/zinc/05/72/98/385057298.db2.gz QGFXUKOIZGNBNP-JTQLQIEISA-N 1 2 226.320 0.215 20 0 BCADLO C[C@@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000644655496 385061862 /nfs/dbraw/zinc/06/18/62/385061862.db2.gz IKUHXTHKGZSIMQ-SNVBAGLBSA-N 1 2 232.287 0.738 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccn1C ZINC000188616193 385070527 /nfs/dbraw/zinc/07/05/27/385070527.db2.gz IZIILWVWSOJJGP-WDEREUQCSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccn1C ZINC000188616193 385070533 /nfs/dbraw/zinc/07/05/33/385070533.db2.gz IZIILWVWSOJJGP-WDEREUQCSA-N 1 2 238.287 0.133 20 0 BCADLO CCOC[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000068951187 385073395 /nfs/dbraw/zinc/07/33/95/385073395.db2.gz MXELEZZUQBCJOD-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccn[nH]1 ZINC000131308969 385082434 /nfs/dbraw/zinc/08/24/34/385082434.db2.gz HWUGWKQSHWVBGU-RTHLEPHNSA-N 1 2 215.322 0.656 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000312988256 385043085 /nfs/dbraw/zinc/04/30/85/385043085.db2.gz BOPCOOQAVSSWDF-JGVFFNPUSA-N 1 2 201.266 0.563 20 0 BCADLO CC[C@@](C)(O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516662338 385116245 /nfs/dbraw/zinc/11/62/45/385116245.db2.gz ZTTRKCYFHKLGKI-BXKDBHETSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@](C)(O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516662338 385116255 /nfs/dbraw/zinc/11/62/55/385116255.db2.gz ZTTRKCYFHKLGKI-BXKDBHETSA-N 1 2 239.319 0.866 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@H](CO)C2)c1Cl ZINC000236390015 385116642 /nfs/dbraw/zinc/11/66/42/385116642.db2.gz JSCCBWPJLQZRSE-LURJTMIESA-N 1 2 228.683 0.531 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@H](CO)C2)c1Cl ZINC000236390015 385116651 /nfs/dbraw/zinc/11/66/51/385116651.db2.gz JSCCBWPJLQZRSE-LURJTMIESA-N 1 2 228.683 0.531 20 0 BCADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000189089376 385125194 /nfs/dbraw/zinc/12/51/94/385125194.db2.gz AEEMGLHQCCXMFF-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000189089376 385125198 /nfs/dbraw/zinc/12/51/98/385125198.db2.gz AEEMGLHQCCXMFF-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO CC(C)c1nc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000644714464 385130630 /nfs/dbraw/zinc/13/06/30/385130630.db2.gz MAZLODORZJBMQZ-MYJAWHEDSA-N 1 2 237.303 0.863 20 0 BCADLO CC(C)c1nc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000644714464 385130637 /nfs/dbraw/zinc/13/06/37/385130637.db2.gz MAZLODORZJBMQZ-MYJAWHEDSA-N 1 2 237.303 0.863 20 0 BCADLO CSCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306614931 385131883 /nfs/dbraw/zinc/13/18/83/385131883.db2.gz AUZCNHXPXWGQGM-QPUJVOFHSA-N 1 2 207.364 0.802 20 0 BCADLO CSCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306614931 385131889 /nfs/dbraw/zinc/13/18/89/385131889.db2.gz AUZCNHXPXWGQGM-QPUJVOFHSA-N 1 2 207.364 0.802 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)nn1 ZINC000644715129 385132888 /nfs/dbraw/zinc/13/28/88/385132888.db2.gz MDCOKYMGTJTUKO-GDNZZTSVSA-N 1 2 236.319 0.529 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)nn1 ZINC000644715129 385132891 /nfs/dbraw/zinc/13/28/91/385132891.db2.gz MDCOKYMGTJTUKO-GDNZZTSVSA-N 1 2 236.319 0.529 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715235 385133688 /nfs/dbraw/zinc/13/36/88/385133688.db2.gz RBUAZXAQTMVHPB-BRPSZJMVSA-N 1 2 223.276 0.302 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715235 385133693 /nfs/dbraw/zinc/13/36/93/385133693.db2.gz RBUAZXAQTMVHPB-BRPSZJMVSA-N 1 2 223.276 0.302 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000109119852 385134932 /nfs/dbraw/zinc/13/49/32/385134932.db2.gz AVSVBMISKLVYMP-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000109119852 385134937 /nfs/dbraw/zinc/13/49/37/385134937.db2.gz AVSVBMISKLVYMP-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)ncn1 ZINC000644679558 385092431 /nfs/dbraw/zinc/09/24/31/385092431.db2.gz XQNLJMGFUZLNRD-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)ncn1 ZINC000644679558 385092437 /nfs/dbraw/zinc/09/24/37/385092437.db2.gz XQNLJMGFUZLNRD-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000644680054 385092451 /nfs/dbraw/zinc/09/24/51/385092451.db2.gz SPMQWYQOBZILCP-UHFFFAOYSA-N 1 2 204.220 0.464 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000407948628 385092728 /nfs/dbraw/zinc/09/27/28/385092728.db2.gz JPKLDFPOUMFMCF-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000407948628 385092734 /nfs/dbraw/zinc/09/27/34/385092734.db2.gz JPKLDFPOUMFMCF-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cc1ccnc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000061859280 385141046 /nfs/dbraw/zinc/14/10/46/385141046.db2.gz HZODLPPBCXAJHV-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000407949401 385101228 /nfs/dbraw/zinc/10/12/28/385101228.db2.gz HOMWHIVCEFVKQJ-NXEZZACHSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000407949401 385101235 /nfs/dbraw/zinc/10/12/35/385101235.db2.gz HOMWHIVCEFVKQJ-NXEZZACHSA-N 1 2 238.335 0.580 20 0 BCADLO CC[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000308785832 385101324 /nfs/dbraw/zinc/10/13/24/385101324.db2.gz BCGSEERXQDKWJW-VIFPVBQESA-N 1 2 211.269 0.335 20 0 BCADLO CC[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000308785832 385101332 /nfs/dbraw/zinc/10/13/32/385101332.db2.gz BCGSEERXQDKWJW-VIFPVBQESA-N 1 2 211.269 0.335 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000407949404 385101959 /nfs/dbraw/zinc/10/19/59/385101959.db2.gz HOMWHIVCEFVKQJ-UWVGGRQHSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000407949404 385101963 /nfs/dbraw/zinc/10/19/63/385101963.db2.gz HOMWHIVCEFVKQJ-UWVGGRQHSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@](C)(O)C2)n1C ZINC000407949840 385106990 /nfs/dbraw/zinc/10/69/90/385106990.db2.gz WCVRMHRVWJWQTM-NSHDSACASA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@](C)(O)C2)n1C ZINC000407949840 385106999 /nfs/dbraw/zinc/10/69/99/385106999.db2.gz WCVRMHRVWJWQTM-NSHDSACASA-N 1 2 224.308 0.334 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000152436929 385182412 /nfs/dbraw/zinc/18/24/12/385182412.db2.gz GUEASWJYSQYLKN-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO Cc1ncc(C[NH+]2CC(C)(C(N)=O)C2)cn1 ZINC000569336808 385199890 /nfs/dbraw/zinc/19/98/90/385199890.db2.gz OEDOYGOJIFTQCG-UHFFFAOYSA-N 1 2 220.276 0.092 20 0 BCADLO Cn1nnc(C[NH2+][C@@H](c2cccnc2)C2CC2)n1 ZINC000559727298 385147569 /nfs/dbraw/zinc/14/75/69/385147569.db2.gz DCIHSPAARIGWGW-GFCCVEGCSA-N 1 2 244.302 0.846 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246323175 385148652 /nfs/dbraw/zinc/14/86/52/385148652.db2.gz AEZARXYURKRZIF-UTLUCORTSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246323175 385148659 /nfs/dbraw/zinc/14/86/59/385148659.db2.gz AEZARXYURKRZIF-UTLUCORTSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@H]([NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000647020552 385149220 /nfs/dbraw/zinc/14/92/20/385149220.db2.gz FDLSXRHCLTWQBH-YFKPBYRVSA-N 1 2 230.214 0.747 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CCOCC2 ZINC000530896009 385149534 /nfs/dbraw/zinc/14/95/34/385149534.db2.gz ZEYUZSKVSCBERC-NSHDSACASA-N 1 2 249.314 0.816 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccncc2Cl)C[C@H]1O ZINC000236530459 385149598 /nfs/dbraw/zinc/14/95/98/385149598.db2.gz JNSLHLUVWWMORS-NXEZZACHSA-N 1 2 228.679 0.272 20 0 BCADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000361445632 385151971 /nfs/dbraw/zinc/15/19/71/385151971.db2.gz JBQQXTCSQZVIAE-GFCCVEGCSA-N 1 2 235.283 0.751 20 0 BCADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCO ZINC000361445632 385151973 /nfs/dbraw/zinc/15/19/73/385151973.db2.gz JBQQXTCSQZVIAE-GFCCVEGCSA-N 1 2 235.283 0.751 20 0 BCADLO COC[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000189420241 385155302 /nfs/dbraw/zinc/15/53/02/385155302.db2.gz IHRPPPUFMNQIBI-WDEREUQCSA-N 1 2 239.319 0.656 20 0 BCADLO O=C(/C=C/c1ccc[nH]1)NCC[NH+]1CCOCC1 ZINC000189523263 385162154 /nfs/dbraw/zinc/16/21/54/385162154.db2.gz QJLMRUGJSMOMQS-ONEGZZNKSA-N 1 2 249.314 0.476 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC=C(C)C ZINC000189579080 385165961 /nfs/dbraw/zinc/16/59/61/385165961.db2.gz QAOUHPASSXGARI-GHMZBOCLSA-N 1 2 227.304 0.951 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC=C(C)C ZINC000189579080 385165967 /nfs/dbraw/zinc/16/59/67/385165967.db2.gz QAOUHPASSXGARI-GHMZBOCLSA-N 1 2 227.304 0.951 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1c[nH+]cn1C ZINC000176990344 385166720 /nfs/dbraw/zinc/16/67/20/385166720.db2.gz ZWBIWZZGSIKBIP-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177045064 385169810 /nfs/dbraw/zinc/16/98/10/385169810.db2.gz FVRFEJKIWKFUEL-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000178020918 385171760 /nfs/dbraw/zinc/17/17/60/385171760.db2.gz NNDKNGVRGUSPBU-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000178020918 385171767 /nfs/dbraw/zinc/17/17/67/385171767.db2.gz NNDKNGVRGUSPBU-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288790262 385172096 /nfs/dbraw/zinc/17/20/96/385172096.db2.gz JZUBQTMWRKABRR-SECBINFHSA-N 1 2 248.282 0.734 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288790262 385172101 /nfs/dbraw/zinc/17/21/01/385172101.db2.gz JZUBQTMWRKABRR-SECBINFHSA-N 1 2 248.282 0.734 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000178020932 385173536 /nfs/dbraw/zinc/17/35/36/385173536.db2.gz NNDKNGVRGUSPBU-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000178020932 385173541 /nfs/dbraw/zinc/17/35/41/385173541.db2.gz NNDKNGVRGUSPBU-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@@]1([NH2+]C[C@@H]2CCC=CO2)CCOC1=O ZINC000291049411 385174333 /nfs/dbraw/zinc/17/43/33/385174333.db2.gz ZUDNHTZJXQKHAA-GXSJLCMTSA-N 1 2 211.261 0.974 20 0 BCADLO CC[C@@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000308808787 385177020 /nfs/dbraw/zinc/17/70/20/385177020.db2.gz BPQJKPVFLHJSCX-UWVGGRQHSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@@H](CO)CNc1nc[nH+]c(N)c1Cl ZINC000235134693 385217421 /nfs/dbraw/zinc/21/74/21/385217421.db2.gz HEAILEHZTSRONP-RXMQYKEDSA-N 1 2 216.672 0.753 20 0 BCADLO C[C@@H](CO)CNc1[nH+]cnc(N)c1Cl ZINC000235134693 385217424 /nfs/dbraw/zinc/21/74/24/385217424.db2.gz HEAILEHZTSRONP-RXMQYKEDSA-N 1 2 216.672 0.753 20 0 BCADLO Cc1nc(N[C@H](C)[C@H](C)CO)nc(N)[nH+]1 ZINC000308859098 385222276 /nfs/dbraw/zinc/22/22/76/385222276.db2.gz JHFVJJGUUOHKRU-PHDIDXHHSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000308859098 385222283 /nfs/dbraw/zinc/22/22/83/385222283.db2.gz JHFVJJGUUOHKRU-PHDIDXHHSA-N 1 2 211.269 0.191 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nccn1C ZINC000190248627 385225336 /nfs/dbraw/zinc/22/53/36/385225336.db2.gz MMBLGBFHJNMOCR-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nccn1C ZINC000190248627 385225338 /nfs/dbraw/zinc/22/53/38/385225338.db2.gz MMBLGBFHJNMOCR-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364184061 385225718 /nfs/dbraw/zinc/22/57/18/385225718.db2.gz BAIOUXMABYRZSH-MWLCHTKSSA-N 1 2 236.271 0.442 20 0 BCADLO C[C@@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647075185 385226972 /nfs/dbraw/zinc/22/69/72/385226972.db2.gz LNLHUANWQVCVBG-QMMMGPOBSA-N 1 2 249.249 0.750 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)no1 ZINC000331465372 385247135 /nfs/dbraw/zinc/24/71/35/385247135.db2.gz JVFRNBUETINYHE-DCAQKATOSA-N 1 2 237.303 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)no1 ZINC000331465372 385247139 /nfs/dbraw/zinc/24/71/39/385247139.db2.gz JVFRNBUETINYHE-DCAQKATOSA-N 1 2 237.303 0.971 20 0 BCADLO Cn1cccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000153288381 385247511 /nfs/dbraw/zinc/24/75/11/385247511.db2.gz KBVQCIMTKZMOEJ-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1cccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000153288381 385247519 /nfs/dbraw/zinc/24/75/19/385247519.db2.gz KBVQCIMTKZMOEJ-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1c[nH+]cn1C ZINC000177237202 385203392 /nfs/dbraw/zinc/20/33/92/385203392.db2.gz FZJCJAIBBVFVOY-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000152697531 385205025 /nfs/dbraw/zinc/20/50/25/385205025.db2.gz PRQYHKCAUIVZGG-VHSXEESVSA-N 1 2 240.307 0.199 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000407991742 385323895 /nfs/dbraw/zinc/32/38/95/385323895.db2.gz XSRWWKJSLZSEIF-PSASIEDQSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000407991742 385323901 /nfs/dbraw/zinc/32/39/01/385323901.db2.gz XSRWWKJSLZSEIF-PSASIEDQSA-N 1 2 228.292 0.148 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C(=O)OC ZINC000308959831 385311435 /nfs/dbraw/zinc/31/14/35/385311435.db2.gz RQGZEZCILYZSGU-AEJSXWLSSA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)[C@H](C)NCc1[nH+]cc(C)n1C ZINC000308962687 385314125 /nfs/dbraw/zinc/31/41/25/385314125.db2.gz SJYWDHFITUILGA-QMMMGPOBSA-N 1 2 211.265 0.380 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000308967416 385319298 /nfs/dbraw/zinc/31/92/98/385319298.db2.gz WSJQNXHQUCJWBV-LPEHRKFASA-N 1 2 217.309 0.935 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000308929957 385293902 /nfs/dbraw/zinc/29/39/02/385293902.db2.gz JGDFGTDHKDFSQY-WCBMZHEXSA-N 1 2 221.272 0.902 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000407984070 385294258 /nfs/dbraw/zinc/29/42/58/385294258.db2.gz VIAJVCJIMHGHGQ-LBPRGKRZSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000407984070 385294265 /nfs/dbraw/zinc/29/42/65/385294265.db2.gz VIAJVCJIMHGHGQ-LBPRGKRZSA-N 1 2 238.335 0.990 20 0 BCADLO C[C@H]([NH2+]C[C@H]1CCCO1)c1ncn(C)n1 ZINC000308925081 385296471 /nfs/dbraw/zinc/29/64/71/385296471.db2.gz DBHHZTYCKHVRKT-DTWKUNHWSA-N 1 2 210.281 0.645 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1ncc[nH]1)C(=O)N(C)C ZINC000308980555 385323824 /nfs/dbraw/zinc/32/38/24/385323824.db2.gz HYDXFINZWIJIRL-HTQZYQBOSA-N 1 2 210.281 0.537 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191856964 385330343 /nfs/dbraw/zinc/33/03/43/385330343.db2.gz ZPNRSYPXLYDPEQ-IUCAKERBSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191856964 385330349 /nfs/dbraw/zinc/33/03/49/385330349.db2.gz ZPNRSYPXLYDPEQ-IUCAKERBSA-N 1 2 229.276 0.290 20 0 BCADLO C[S@@](=O)C1(C[NH2+]Cc2ccn[nH]2)CCC1 ZINC000280551382 385332008 /nfs/dbraw/zinc/33/20/08/385332008.db2.gz DVVOCKACGKBPBZ-OAHLLOKOSA-N 1 2 227.333 0.801 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cocn1 ZINC000191939778 385333827 /nfs/dbraw/zinc/33/38/27/385333827.db2.gz IDQYOTHAZZPZHI-UHFFFAOYSA-N 1 2 225.292 0.439 20 0 BCADLO O=C1NCC[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000178184139 385341033 /nfs/dbraw/zinc/34/10/33/385341033.db2.gz UQKMLFQWKCAFNT-CYBMUJFWSA-N 1 2 245.326 0.697 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000516766190 385343625 /nfs/dbraw/zinc/34/36/25/385343625.db2.gz MJTCPGBMMTZXPM-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000516766190 385343632 /nfs/dbraw/zinc/34/36/32/385343632.db2.gz MJTCPGBMMTZXPM-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368667438 385389732 /nfs/dbraw/zinc/38/97/32/385389732.db2.gz RPMYIPZXRJOXIX-JBLDHEPKSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368667438 385389738 /nfs/dbraw/zinc/38/97/38/385389738.db2.gz RPMYIPZXRJOXIX-JBLDHEPKSA-N 1 2 248.330 0.804 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158198522 385360870 /nfs/dbraw/zinc/36/08/70/385360870.db2.gz JNOHVKGAVBPPHN-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158198522 385360876 /nfs/dbraw/zinc/36/08/76/385360876.db2.gz JNOHVKGAVBPPHN-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000408002975 385362631 /nfs/dbraw/zinc/36/26/31/385362631.db2.gz VTOLJXQPGIJCLB-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000408002975 385362638 /nfs/dbraw/zinc/36/26/38/385362638.db2.gz VTOLJXQPGIJCLB-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCO1 ZINC000155144396 385377508 /nfs/dbraw/zinc/37/75/08/385377508.db2.gz KNKRZKIKYUAZRS-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCOC[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000309028779 385379549 /nfs/dbraw/zinc/37/95/49/385379549.db2.gz CIJOYWXNTULWBU-DTWKUNHWSA-N 1 2 212.297 0.891 20 0 BCADLO Cc1ccoc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178620146 385399095 /nfs/dbraw/zinc/39/90/95/385399095.db2.gz LUJVOHBRDQBJKX-LLVKDONJSA-N 1 2 249.314 0.318 20 0 BCADLO Cc1ccoc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178620158 385399385 /nfs/dbraw/zinc/39/93/85/385399385.db2.gz LUJVOHBRDQBJKX-NSHDSACASA-N 1 2 249.314 0.318 20 0 BCADLO COC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364386874 385400489 /nfs/dbraw/zinc/40/04/89/385400489.db2.gz FRIYGRPWPLRZFF-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCO)[C@@H](C)CC ZINC000181633169 385411565 /nfs/dbraw/zinc/41/15/65/385411565.db2.gz QXNBRXHPMJAPOO-IUCAKERBSA-N 1 2 203.282 0.546 20 0 BCADLO C[C@@H](NCC[NH+]1CCC1)c1nccn1C ZINC000309116160 385422740 /nfs/dbraw/zinc/42/27/40/385422740.db2.gz LOLJIVLJYOLTHF-SNVBAGLBSA-N 1 2 208.309 0.776 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncn1C ZINC000289786615 385441565 /nfs/dbraw/zinc/44/15/65/385441565.db2.gz RVCZVLGDSWQLSN-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194720756 385447531 /nfs/dbraw/zinc/44/75/31/385447531.db2.gz OGVWPUGGERIHLL-OUAUKWLOSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCC=CO1 ZINC000194720756 385447534 /nfs/dbraw/zinc/44/75/34/385447534.db2.gz OGVWPUGGERIHLL-OUAUKWLOSA-N 1 2 241.287 0.287 20 0 BCADLO Cc1nnc(NCc2c[nH+]cn2C)n1C ZINC000309170163 385448507 /nfs/dbraw/zinc/44/85/07/385448507.db2.gz LBBWHKIOQOQZEE-UHFFFAOYSA-N 1 2 206.253 0.469 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1nncn1C ZINC000309174391 385450447 /nfs/dbraw/zinc/45/04/47/385450447.db2.gz BQQJXKPGPUBJEA-UHFFFAOYSA-N 1 2 226.324 0.798 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1nncn1C ZINC000309174391 385450449 /nfs/dbraw/zinc/45/04/49/385450449.db2.gz BQQJXKPGPUBJEA-UHFFFAOYSA-N 1 2 226.324 0.798 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195013138 385456135 /nfs/dbraw/zinc/45/61/35/385456135.db2.gz XGNVJMDXMLBPEZ-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195013138 385456139 /nfs/dbraw/zinc/45/61/39/385456139.db2.gz XGNVJMDXMLBPEZ-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000182825401 385478093 /nfs/dbraw/zinc/47/80/93/385478093.db2.gz PSPJZRQSVYRKQI-LBPRGKRZSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000182825401 385478097 /nfs/dbraw/zinc/47/80/97/385478097.db2.gz PSPJZRQSVYRKQI-LBPRGKRZSA-N 1 2 238.335 0.891 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)C(N)=O ZINC000309216085 385483588 /nfs/dbraw/zinc/48/35/88/385483588.db2.gz UJWFHWIJKBHKNI-FSPLSTOPSA-N 1 2 228.321 0.761 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1c[nH+]c[nH]1 ZINC000179728222 385487328 /nfs/dbraw/zinc/48/73/28/385487328.db2.gz IRQDDQSFPXLCDI-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1c[nH]c[nH+]1 ZINC000179728222 385487330 /nfs/dbraw/zinc/48/73/30/385487330.db2.gz IRQDDQSFPXLCDI-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO COC[C@@](C)([NH2+]CCCF)C(=O)OC ZINC000182610609 385460240 /nfs/dbraw/zinc/46/02/40/385460240.db2.gz CJMICWNLANFODD-SECBINFHSA-N 1 2 207.245 0.514 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)O ZINC000179874685 385496103 /nfs/dbraw/zinc/49/61/03/385496103.db2.gz QVKHESCHDGANBY-QMMMGPOBSA-N 1 2 209.249 0.892 20 0 BCADLO CC(C)(C(=O)NC1CCC1)[NH+]1CCOCC1 ZINC000336595248 385508503 /nfs/dbraw/zinc/50/85/03/385508503.db2.gz JHTARGZFPZRECY-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO C[N@H+](CCO)Cc1ccc(S(C)(=O)=O)cc1 ZINC000157591101 385510107 /nfs/dbraw/zinc/51/01/07/385510107.db2.gz NBUKDENPDSVPEN-UHFFFAOYSA-N 1 2 243.328 0.514 20 0 BCADLO C[N@@H+](CCO)Cc1ccc(S(C)(=O)=O)cc1 ZINC000157591101 385510111 /nfs/dbraw/zinc/51/01/11/385510111.db2.gz NBUKDENPDSVPEN-UHFFFAOYSA-N 1 2 243.328 0.514 20 0 BCADLO CC[C@@H](C)OCC(=O)NCCn1cc[nH+]c1 ZINC000157707967 385518173 /nfs/dbraw/zinc/51/81/73/385518173.db2.gz OCBPHROAEABVKZ-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO c1cn(-c2cc(N3CCO[C@@H]4C[C@@H]43)ncn2)c[nH+]1 ZINC000644136260 385513197 /nfs/dbraw/zinc/51/31/97/385513197.db2.gz SNPNUVJJNAKQNU-VHSXEESVSA-N 1 2 243.270 0.640 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334190649 385516394 /nfs/dbraw/zinc/51/63/94/385516394.db2.gz HJIJGIYXOBUOEP-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334190649 385516400 /nfs/dbraw/zinc/51/64/00/385516400.db2.gz HJIJGIYXOBUOEP-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000309325971 385531683 /nfs/dbraw/zinc/53/16/83/385531683.db2.gz IBKCHZRFWWHAET-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000309325971 385531687 /nfs/dbraw/zinc/53/16/87/385531687.db2.gz IBKCHZRFWWHAET-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)C1CC(=O)C1 ZINC000364877599 385532032 /nfs/dbraw/zinc/53/20/32/385532032.db2.gz HFSYBTXCDXPFNJ-VIFPVBQESA-N 1 2 247.298 0.856 20 0 BCADLO CC(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106820121 385533104 /nfs/dbraw/zinc/53/31/04/385533104.db2.gz CRJUUEZFTXNLJX-NSHDSACASA-N 1 2 227.352 0.395 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361063234 385539878 /nfs/dbraw/zinc/53/98/78/385539878.db2.gz YSYCSRIQOZDZRW-VIFPVBQESA-N 1 2 245.273 0.870 20 0 BCADLO Cn1nccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361063234 385539880 /nfs/dbraw/zinc/53/98/80/385539880.db2.gz YSYCSRIQOZDZRW-VIFPVBQESA-N 1 2 245.273 0.870 20 0 BCADLO CO[C@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000180832851 385549016 /nfs/dbraw/zinc/54/90/16/385549016.db2.gz IJKRLACVTLZVAY-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1(O)CCSCC1 ZINC000408034229 385542855 /nfs/dbraw/zinc/54/28/55/385542855.db2.gz DDUVSPNFSUQANN-UHFFFAOYSA-N 1 2 241.316 0.284 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1(O)CCSCC1 ZINC000408034229 385542858 /nfs/dbraw/zinc/54/28/58/385542858.db2.gz DDUVSPNFSUQANN-UHFFFAOYSA-N 1 2 241.316 0.284 20 0 BCADLO CC(C)CCOCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934107 385546272 /nfs/dbraw/zinc/54/62/72/385546272.db2.gz ZUMGGDWVDKWHRV-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCOCC[N@H+]1CCNC(=O)[C@H]1C ZINC000106934107 385546276 /nfs/dbraw/zinc/54/62/76/385546276.db2.gz ZUMGGDWVDKWHRV-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CO1 ZINC000493100672 385519307 /nfs/dbraw/zinc/51/93/07/385519307.db2.gz BFMSNXMDQILTBQ-QTIBKXMGSA-N 1 2 221.260 0.717 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CO1 ZINC000493100673 385519459 /nfs/dbraw/zinc/51/94/59/385519459.db2.gz BFMSNXMDQILTBQ-SXAXMNFYSA-N 1 2 221.260 0.717 20 0 BCADLO CCOCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493228178 385556615 /nfs/dbraw/zinc/55/66/15/385556615.db2.gz RXMWTBZHSHWQAA-ONEGZZNKSA-N 1 2 209.249 0.576 20 0 BCADLO NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000181439168 385577347 /nfs/dbraw/zinc/57/73/47/385577347.db2.gz DVTITQMVQFPMGS-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000181439168 385577349 /nfs/dbraw/zinc/57/73/49/385577349.db2.gz DVTITQMVQFPMGS-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)C[C@H]1CO ZINC000408196160 385600648 /nfs/dbraw/zinc/60/06/48/385600648.db2.gz YLNBLBPGADETFL-VHSXEESVSA-N 1 2 247.298 0.505 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1csnn1 ZINC000647909170 385602018 /nfs/dbraw/zinc/60/20/18/385602018.db2.gz RFTYJBXQTCCIRW-SFYZADRCSA-N 1 2 238.320 0.869 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1csnn1 ZINC000647909169 385602385 /nfs/dbraw/zinc/60/23/85/385602385.db2.gz RFTYJBXQTCCIRW-JGVFFNPUSA-N 1 2 238.320 0.869 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)O ZINC000280784329 385603518 /nfs/dbraw/zinc/60/35/18/385603518.db2.gz KKXSVJVEEDSNNR-SECBINFHSA-N 1 2 225.292 0.549 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354696378 385636786 /nfs/dbraw/zinc/63/67/86/385636786.db2.gz BOXACRAQMSXSMT-QWHCGFSZSA-N 1 2 248.330 0.959 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354696378 385636790 /nfs/dbraw/zinc/63/67/90/385636790.db2.gz BOXACRAQMSXSMT-QWHCGFSZSA-N 1 2 248.330 0.959 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000369337128 385628073 /nfs/dbraw/zinc/62/80/73/385628073.db2.gz AAPCCPBHXGIBED-QLJPJBMISA-N 1 2 247.360 0.640 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000369337128 385628075 /nfs/dbraw/zinc/62/80/75/385628075.db2.gz AAPCCPBHXGIBED-QLJPJBMISA-N 1 2 247.360 0.640 20 0 BCADLO CO[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000281068447 385633588 /nfs/dbraw/zinc/63/35/88/385633588.db2.gz ZSFVEVQVFMGJIF-VIFPVBQESA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000647711189 385607176 /nfs/dbraw/zinc/60/71/76/385607176.db2.gz WOFWRXGIHIDDKL-NXEZZACHSA-N 1 2 248.330 0.650 20 0 BCADLO CN(C)[C@H](C(=O)N1CCCC1)c1c[nH+]cn1C ZINC000280872703 385611828 /nfs/dbraw/zinc/61/18/28/385611828.db2.gz YMUFHYODYBSGSZ-NSHDSACASA-N 1 2 236.319 0.645 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000365700728 385639199 /nfs/dbraw/zinc/63/91/99/385639199.db2.gz ZPAWYNWMUJWTLD-CMPLNLGQSA-N 1 2 235.287 0.463 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1snnc1C ZINC000647910378 385640610 /nfs/dbraw/zinc/64/06/10/385640610.db2.gz NKRDLSFRNXDWKR-MRVPVSSYSA-N 1 2 240.332 0.557 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1snnc1C ZINC000647910378 385640617 /nfs/dbraw/zinc/64/06/17/385640617.db2.gz NKRDLSFRNXDWKR-MRVPVSSYSA-N 1 2 240.332 0.557 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000337416779 385645604 /nfs/dbraw/zinc/64/56/04/385645604.db2.gz RVEDVCHWQCYZSJ-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000337416779 385645608 /nfs/dbraw/zinc/64/56/08/385645608.db2.gz RVEDVCHWQCYZSJ-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO Cc1[nH]c2nc[nH+]c(N3CC(=O)N(C)C3)c2c1C ZINC000645205511 385645905 /nfs/dbraw/zinc/64/59/05/385645905.db2.gz YMMUXPVNMBKRAK-UHFFFAOYSA-N 1 2 245.286 0.811 20 0 BCADLO C[N@H+](Cc1cncs1)[C@H]1COC[C@@H]1O ZINC000307000340 385649417 /nfs/dbraw/zinc/64/94/17/385649417.db2.gz AGKNKQAZJVXGLI-IUCAKERBSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@H]1COC[C@@H]1O ZINC000307000340 385649419 /nfs/dbraw/zinc/64/94/19/385649419.db2.gz AGKNKQAZJVXGLI-IUCAKERBSA-N 1 2 214.290 0.335 20 0 BCADLO COC[C@H](C)[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307212887 385665561 /nfs/dbraw/zinc/66/55/61/385665561.db2.gz WHYSUQJTEHCDHH-MWODSPESSA-N 1 2 205.323 0.474 20 0 BCADLO COC[C@H](C)[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307212887 385665564 /nfs/dbraw/zinc/66/55/64/385665564.db2.gz WHYSUQJTEHCDHH-MWODSPESSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H](C(=O)N(C)C)N1CCn2c[nH+]cc2C1 ZINC000647939582 385654906 /nfs/dbraw/zinc/65/49/06/385654906.db2.gz SORFDWGBBQHKFI-VIFPVBQESA-N 1 2 222.292 0.175 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000307069370 385655216 /nfs/dbraw/zinc/65/52/16/385655216.db2.gz CRMXVIJHPFSBMP-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000307069370 385655221 /nfs/dbraw/zinc/65/52/21/385655221.db2.gz CRMXVIJHPFSBMP-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293580778 385659684 /nfs/dbraw/zinc/65/96/84/385659684.db2.gz ASADJTWUCHXGEI-NXEZZACHSA-N 1 2 236.319 0.957 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nnc(C)s1 ZINC000337435696 385660166 /nfs/dbraw/zinc/66/01/66/385660166.db2.gz IOUPOYBPTIRCDG-UHFFFAOYSA-N 1 2 245.348 0.677 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nnc(C)s1 ZINC000337435696 385660170 /nfs/dbraw/zinc/66/01/70/385660170.db2.gz IOUPOYBPTIRCDG-UHFFFAOYSA-N 1 2 245.348 0.677 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005080 385661337 /nfs/dbraw/zinc/66/13/37/385661337.db2.gz JAOQNXZHNRHGKC-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005080 385661340 /nfs/dbraw/zinc/66/13/40/385661340.db2.gz JAOQNXZHNRHGKC-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000340013550 385673541 /nfs/dbraw/zinc/67/35/41/385673541.db2.gz FYQNGZCATMNWOF-MRVPVSSYSA-N 1 2 249.318 0.974 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000340013550 385673543 /nfs/dbraw/zinc/67/35/43/385673543.db2.gz FYQNGZCATMNWOF-MRVPVSSYSA-N 1 2 249.318 0.974 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2nncn2C)c[nH+]1 ZINC000270133179 385675026 /nfs/dbraw/zinc/67/50/26/385675026.db2.gz TUGYTCFEFSSFRA-ZCFIWIBFSA-N 1 2 234.263 0.338 20 0 BCADLO C[C@@H](C(=O)N1[C@@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000518794444 385676265 /nfs/dbraw/zinc/67/62/65/385676265.db2.gz DLHJKTCCDUOULI-DCAQKATOSA-N 1 2 226.320 0.716 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000309536053 385676700 /nfs/dbraw/zinc/67/67/00/385676700.db2.gz FAPTWNRUJHUZGE-NJGYIYPDSA-N 1 2 239.197 0.952 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000645218071 385680255 /nfs/dbraw/zinc/68/02/55/385680255.db2.gz BJGJEJJTPVJJFT-JGVFFNPUSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000645218071 385680260 /nfs/dbraw/zinc/68/02/60/385680260.db2.gz BJGJEJJTPVJJFT-JGVFFNPUSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccon1 ZINC000309553499 385686674 /nfs/dbraw/zinc/68/66/74/385686674.db2.gz JAMWJBASRBAEPX-PSASIEDQSA-N 1 2 223.276 0.994 20 0 BCADLO CCc1noc(C[N@@H+](CC)[C@@H](C)CO)n1 ZINC000645232254 385693871 /nfs/dbraw/zinc/69/38/71/385693871.db2.gz ACDWRACVIROAIF-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@H+](CC)[C@@H](C)CO)n1 ZINC000645232254 385693874 /nfs/dbraw/zinc/69/38/74/385693874.db2.gz ACDWRACVIROAIF-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnnc1 ZINC000270295790 385694739 /nfs/dbraw/zinc/69/47/39/385694739.db2.gz BENXOJSJPSPKRP-SECBINFHSA-N 1 2 231.259 0.492 20 0 BCADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1nc[nH]n1 ZINC000182818188 385709160 /nfs/dbraw/zinc/70/91/60/385709160.db2.gz VMBIMAKBCKUISC-LURJTMIESA-N 1 2 244.262 0.655 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ccon1 ZINC000281898423 385712487 /nfs/dbraw/zinc/71/24/87/385712487.db2.gz BJSFQPQIFUGATJ-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ccon1 ZINC000281898423 385712491 /nfs/dbraw/zinc/71/24/91/385712491.db2.gz BJSFQPQIFUGATJ-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CCNC(=O)C1 ZINC000270547750 385716777 /nfs/dbraw/zinc/71/67/77/385716777.db2.gz FJJVVDMGLLOYRD-UHFFFAOYSA-N 1 2 230.271 0.510 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000336692517 385733668 /nfs/dbraw/zinc/73/36/68/385733668.db2.gz HWEBPWZRRCGUGN-MRVPVSSYSA-N 1 2 241.291 0.122 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000336692517 385733672 /nfs/dbraw/zinc/73/36/72/385733672.db2.gz HWEBPWZRRCGUGN-MRVPVSSYSA-N 1 2 241.291 0.122 20 0 BCADLO Cc1nnc([C@H](C)[N@H+](C)CCO)s1 ZINC000283655889 385737914 /nfs/dbraw/zinc/73/79/14/385737914.db2.gz UHCRWPSPVXCTOS-LURJTMIESA-N 1 2 201.295 0.832 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+](C)CCO)s1 ZINC000283655889 385737919 /nfs/dbraw/zinc/73/79/19/385737919.db2.gz UHCRWPSPVXCTOS-LURJTMIESA-N 1 2 201.295 0.832 20 0 BCADLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000270744401 385738775 /nfs/dbraw/zinc/73/87/75/385738775.db2.gz GVQDNBUUGMWFGV-LLVKDONJSA-N 1 2 249.314 0.107 20 0 BCADLO O=C1C[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000270763125 385740736 /nfs/dbraw/zinc/74/07/36/385740736.db2.gz GAJUSCAWJPOVEZ-DGCLKSJQSA-N 1 2 232.283 0.077 20 0 BCADLO O=C1C[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000270763125 385740740 /nfs/dbraw/zinc/74/07/40/385740740.db2.gz GAJUSCAWJPOVEZ-DGCLKSJQSA-N 1 2 232.283 0.077 20 0 BCADLO CCOCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC000309614027 385741978 /nfs/dbraw/zinc/74/19/78/385741978.db2.gz CEMPPXMMFHHKTI-SECBINFHSA-N 1 2 233.308 0.315 20 0 BCADLO C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000270771805 385741902 /nfs/dbraw/zinc/74/19/02/385741902.db2.gz QKUSEHKHJYXBIS-SNVBAGLBSA-N 1 2 249.314 0.679 20 0 BCADLO COC(=O)C1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000270800906 385745836 /nfs/dbraw/zinc/74/58/36/385745836.db2.gz APCQFKVZCNGCPX-UHFFFAOYSA-N 1 2 237.259 0.095 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398299697 385747579 /nfs/dbraw/zinc/74/75/79/385747579.db2.gz LSOURJMYHJVFBD-UHFFFAOYSA-N 1 2 219.248 0.498 20 0 BCADLO CC[C@@H]([NH2+]C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000336736441 385748367 /nfs/dbraw/zinc/74/83/67/385748367.db2.gz MQZNMZGYJVVINL-DTWKUNHWSA-N 1 2 228.292 0.196 20 0 BCADLO C[C@@H](O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000270819521 385749761 /nfs/dbraw/zinc/74/97/61/385749761.db2.gz QWADZYSVHCUYIK-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO OCC[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000336700899 385761574 /nfs/dbraw/zinc/76/15/74/385761574.db2.gz XKSXOHVFFTTZBP-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO OCC[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000336700899 385761577 /nfs/dbraw/zinc/76/15/77/385761577.db2.gz XKSXOHVFFTTZBP-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000309639959 385762955 /nfs/dbraw/zinc/76/29/55/385762955.db2.gz KMUWHGQHSSNFFJ-UHFFFAOYSA-N 1 2 243.332 0.823 20 0 BCADLO Cc1c(C[N@@H+]2CC(=O)NCC2(C)C)cnn1C ZINC000282448579 385763956 /nfs/dbraw/zinc/76/39/56/385763956.db2.gz FFNCUGYVCKCKFS-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c(C[N@H+]2CC(=O)NCC2(C)C)cnn1C ZINC000282448579 385763960 /nfs/dbraw/zinc/76/39/60/385763960.db2.gz FFNCUGYVCKCKFS-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO O=C(CCn1cc[nH+]c1)NN1CCCCC1 ZINC000270963257 385764160 /nfs/dbraw/zinc/76/41/60/385764160.db2.gz APZJHWWZGPJJIH-UHFFFAOYSA-N 1 2 222.292 0.790 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1nccs1 ZINC000186481049 385765892 /nfs/dbraw/zinc/76/58/92/385765892.db2.gz QKLHVUKJFDSDIR-YUMQZZPRSA-N 1 2 214.290 0.071 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1nccs1 ZINC000186481049 385765896 /nfs/dbraw/zinc/76/58/96/385765896.db2.gz QKLHVUKJFDSDIR-YUMQZZPRSA-N 1 2 214.290 0.071 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186476390 385766127 /nfs/dbraw/zinc/76/61/27/385766127.db2.gz RSGHQFUEZDNSJW-VGMNWLOBSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186476390 385766131 /nfs/dbraw/zinc/76/61/31/385766131.db2.gz RSGHQFUEZDNSJW-VGMNWLOBSA-N 1 2 241.291 0.121 20 0 BCADLO COCCn1cc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000271031164 385772553 /nfs/dbraw/zinc/77/25/53/385772553.db2.gz HAORLEFBGMOBTL-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO COCCn1cc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000271031164 385772556 /nfs/dbraw/zinc/77/25/56/385772556.db2.gz HAORLEFBGMOBTL-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000363867696 385774338 /nfs/dbraw/zinc/77/43/38/385774338.db2.gz WVUKPNWIWVSNFE-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000363867696 385774342 /nfs/dbraw/zinc/77/43/42/385774342.db2.gz WVUKPNWIWVSNFE-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnn(C(C)(C)C)c1 ZINC000271033286 385775194 /nfs/dbraw/zinc/77/51/94/385775194.db2.gz DVPOMHYIFMQPPN-UHFFFAOYSA-N 1 2 224.308 0.555 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnn(C(C)(C)C)c1 ZINC000271033286 385775196 /nfs/dbraw/zinc/77/51/96/385775196.db2.gz DVPOMHYIFMQPPN-UHFFFAOYSA-N 1 2 224.308 0.555 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282700492 385779801 /nfs/dbraw/zinc/77/98/01/385779801.db2.gz FVQCFAYKZBDCAX-ORAHPGNNSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ncoc2C)c[nH+]1 ZINC000270614267 385721289 /nfs/dbraw/zinc/72/12/89/385721289.db2.gz FSSDSJXYSVFGCA-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CC(C)c1nnc(C[NH2+]C2(C(N)=O)CC2)[nH]1 ZINC000309593404 385723469 /nfs/dbraw/zinc/72/34/69/385723469.db2.gz VMVMILGUQDYXEY-UHFFFAOYSA-N 1 2 223.280 0.036 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccon1 ZINC000336740215 385797744 /nfs/dbraw/zinc/79/77/44/385797744.db2.gz MFIOEVGYLUCMDQ-MRVPVSSYSA-N 1 2 223.276 0.946 20 0 BCADLO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336737534 385802911 /nfs/dbraw/zinc/80/29/11/385802911.db2.gz JMOJJGPUBCFSRF-OIBJUYFYSA-N 1 2 226.280 0.151 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCc1ccnn1C ZINC000283008864 385803033 /nfs/dbraw/zinc/80/30/33/385803033.db2.gz GZRWMRQVQYXKEY-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccnn1C ZINC000283008864 385803039 /nfs/dbraw/zinc/80/30/39/385803039.db2.gz GZRWMRQVQYXKEY-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)CC[C@@H]1O ZINC000186898606 385812118 /nfs/dbraw/zinc/81/21/18/385812118.db2.gz AGLMTMZZPDOWRD-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)CC[C@@H]1O ZINC000186898606 385812123 /nfs/dbraw/zinc/81/21/23/385812123.db2.gz AGLMTMZZPDOWRD-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC(CCO)C1 ZINC000337857974 385816202 /nfs/dbraw/zinc/81/62/02/385816202.db2.gz HSNGYPNUKGFFRP-UHFFFAOYSA-N 1 2 233.275 0.182 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C=Cc1c[nH]cn1 ZINC000283521469 385821165 /nfs/dbraw/zinc/82/11/65/385821165.db2.gz QQSUUOCGSQXYGN-VMZHVLLKSA-N 1 2 245.286 0.824 20 0 BCADLO CN(CCOCCO)c1cc[nH+]c(C2CC2)n1 ZINC000283580241 385823163 /nfs/dbraw/zinc/82/31/63/385823163.db2.gz RDFFINQCENYPGA-UHFFFAOYSA-N 1 2 237.303 0.799 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1CC1 ZINC000336737810 385823836 /nfs/dbraw/zinc/82/38/36/385823836.db2.gz JSGCXLATQALLAD-YUMQZZPRSA-N 1 2 223.276 0.992 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccon1 ZINC000336737809 385824283 /nfs/dbraw/zinc/82/42/83/385824283.db2.gz JSGCXLATQALLAD-SFYZADRCSA-N 1 2 223.276 0.992 20 0 BCADLO CCc1nocc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414568697 385825737 /nfs/dbraw/zinc/82/57/37/385825737.db2.gz HUVNLAHKJUWNJP-CABZTGNLSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414568697 385825738 /nfs/dbraw/zinc/82/57/38/385825738.db2.gz HUVNLAHKJUWNJP-CABZTGNLSA-N 1 2 240.303 0.819 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187020492 385826748 /nfs/dbraw/zinc/82/67/48/385826748.db2.gz LGHWFZKIYBEIFF-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187020492 385826751 /nfs/dbraw/zinc/82/67/51/385826751.db2.gz LGHWFZKIYBEIFF-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cn1 ZINC000414577519 385846113 /nfs/dbraw/zinc/84/61/13/385846113.db2.gz HHHZDIOGJPMBBF-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cn1 ZINC000414577519 385846118 /nfs/dbraw/zinc/84/61/18/385846118.db2.gz HHHZDIOGJPMBBF-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)c1noc(C[N@@H+](CCO)C[C@@H](C)O)n1 ZINC000336725575 385855170 /nfs/dbraw/zinc/85/51/70/385855170.db2.gz VFPSFNNDPGRZMP-SECBINFHSA-N 1 2 243.307 0.368 20 0 BCADLO CC(C)c1noc(C[N@H+](CCO)C[C@@H](C)O)n1 ZINC000336725575 385855172 /nfs/dbraw/zinc/85/51/72/385855172.db2.gz VFPSFNNDPGRZMP-SECBINFHSA-N 1 2 243.307 0.368 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000294024746 385788510 /nfs/dbraw/zinc/78/85/10/385788510.db2.gz VCOIEIRKGBCLRG-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000294024746 385788515 /nfs/dbraw/zinc/78/85/15/385788515.db2.gz VCOIEIRKGBCLRG-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000282916888 385797210 /nfs/dbraw/zinc/79/72/10/385797210.db2.gz YAQMCGSCOWUXTN-FSIBCCDJSA-N 1 2 235.287 0.652 20 0 BCADLO CCN(CCO)c1nc[nH+]c2c1OCCN2 ZINC000647845703 385885499 /nfs/dbraw/zinc/88/54/99/385885499.db2.gz ZIFHWRFOGFCBOW-UHFFFAOYSA-N 1 2 224.264 0.100 20 0 BCADLO CCN(CCO)c1[nH+]cnc2c1OCCN2 ZINC000647845703 385885502 /nfs/dbraw/zinc/88/55/02/385885502.db2.gz ZIFHWRFOGFCBOW-UHFFFAOYSA-N 1 2 224.264 0.100 20 0 BCADLO C[C@@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000272242419 385887807 /nfs/dbraw/zinc/88/78/07/385887807.db2.gz JZWDASYENKTPJG-VIFPVBQESA-N 1 2 248.286 0.824 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(CO)cc1 ZINC000272283981 385891054 /nfs/dbraw/zinc/89/10/54/385891054.db2.gz FVBBZOZORQWEGM-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000272283981 385891057 /nfs/dbraw/zinc/89/10/57/385891057.db2.gz FVBBZOZORQWEGM-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO COc1ccnc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647842943 385891554 /nfs/dbraw/zinc/89/15/54/385891554.db2.gz URIQHIQXHFEVNL-UHFFFAOYSA-N 1 2 231.259 0.771 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(CC(F)F)c1 ZINC000294769087 385893984 /nfs/dbraw/zinc/89/39/84/385893984.db2.gz STSNKOHNOAUJMR-UHFFFAOYSA-N 1 2 246.261 0.455 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(CC(F)F)c1 ZINC000294769087 385893988 /nfs/dbraw/zinc/89/39/88/385893988.db2.gz STSNKOHNOAUJMR-UHFFFAOYSA-N 1 2 246.261 0.455 20 0 BCADLO CC[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000647845282 385896514 /nfs/dbraw/zinc/89/65/14/385896514.db2.gz ZRSQOIYPFAHFJI-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000647845282 385896519 /nfs/dbraw/zinc/89/65/19/385896519.db2.gz ZRSQOIYPFAHFJI-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BCADLO CN1CC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000272369296 385897342 /nfs/dbraw/zinc/89/73/42/385897342.db2.gz ZTHYDXLQPJNSDM-UHFFFAOYSA-N 1 2 248.286 0.778 20 0 BCADLO COC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000336726495 385899750 /nfs/dbraw/zinc/89/97/50/385899750.db2.gz CBHPENZIMLCWNR-SECBINFHSA-N 1 2 221.256 0.622 20 0 BCADLO Cc1nc(N2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000308873705 385902210 /nfs/dbraw/zinc/90/22/10/385902210.db2.gz NLDWLWKIBASKTG-UHFFFAOYSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N)nc(N2CCC(C)(C)C2)[nH+]1 ZINC000308873705 385902213 /nfs/dbraw/zinc/90/22/13/385902213.db2.gz NLDWLWKIBASKTG-UHFFFAOYSA-N 1 2 207.281 0.999 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CC(C)(C)OC1=O ZINC000497009336 533151608 /nfs/dbraw/zinc/15/16/08/533151608.db2.gz GIQBCTSJCIGPRD-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO C[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000647854084 385908921 /nfs/dbraw/zinc/90/89/21/385908921.db2.gz YCZKLGKOPDFCAK-LURJTMIESA-N 1 2 210.237 0.074 20 0 BCADLO C[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000647854084 385908924 /nfs/dbraw/zinc/90/89/24/385908924.db2.gz YCZKLGKOPDFCAK-LURJTMIESA-N 1 2 210.237 0.074 20 0 BCADLO COC[C@@](C)(CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272521692 385909568 /nfs/dbraw/zinc/90/95/68/385909568.db2.gz RWZCXDOICSNPGL-LLVKDONJSA-N 1 2 241.291 0.235 20 0 BCADLO c1[nH]c(CN2CCO[C@]3(CCCOC3)C2)c[nH+]1 ZINC000285267447 385910802 /nfs/dbraw/zinc/91/08/02/385910802.db2.gz IILDVLUISKHJGC-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO COC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338175351 385911168 /nfs/dbraw/zinc/91/11/68/385911168.db2.gz STQNUUBEJNLFGW-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H](O)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000647859219 385911883 /nfs/dbraw/zinc/91/18/83/385911883.db2.gz AXHRZQBEKUJEGU-SSDOTTSWSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@@H](O)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000647859219 385911887 /nfs/dbraw/zinc/91/18/87/385911887.db2.gz AXHRZQBEKUJEGU-SSDOTTSWSA-N 1 2 224.264 0.098 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CC(C)(C)OC1=O ZINC000497009336 533151616 /nfs/dbraw/zinc/15/16/16/533151616.db2.gz GIQBCTSJCIGPRD-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO CSCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413964704 385915643 /nfs/dbraw/zinc/91/56/43/385915643.db2.gz FPDGTGBXZDVZQO-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO C[C@@H]1OCC[C@@H]1[S@](=O)Cc1c[nH+]cn1C ZINC000338224769 385919798 /nfs/dbraw/zinc/91/97/98/385919798.db2.gz KTAFZGDDMZJSGE-KPWYMIHSSA-N 1 2 228.317 0.846 20 0 BCADLO Cc1nc(N2C[C@H](C)C[C@H]2C)nc(N)[nH+]1 ZINC000308790182 385860732 /nfs/dbraw/zinc/86/07/32/385860732.db2.gz CPXWMXGOGORMMC-RNFRBKRXSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)C[C@H]2C)[nH+]1 ZINC000308790182 385860736 /nfs/dbraw/zinc/86/07/36/385860736.db2.gz CPXWMXGOGORMMC-RNFRBKRXSA-N 1 2 207.281 0.997 20 0 BCADLO C[C@H](O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000271936454 385861502 /nfs/dbraw/zinc/86/15/02/385861502.db2.gz NIEOTUHIIBOMAA-UWVGGRQHSA-N 1 2 235.287 0.157 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284303313 385862092 /nfs/dbraw/zinc/86/20/92/385862092.db2.gz GTTKFRYESDBAIY-ASJFBNRSSA-N 1 2 221.260 0.717 20 0 BCADLO CC[N@H+](CCOC)Cc1nccnc1OC ZINC000294542926 385865124 /nfs/dbraw/zinc/86/51/24/385865124.db2.gz JGLWUAIQXGVEOV-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CC[N@@H+](CCOC)Cc1nccnc1OC ZINC000294542926 385865127 /nfs/dbraw/zinc/86/51/27/385865127.db2.gz JGLWUAIQXGVEOV-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000121939825 385872992 /nfs/dbraw/zinc/87/29/92/385872992.db2.gz JMWHHONRTWLRML-SECBINFHSA-N 1 2 210.281 0.933 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)nc1 ZINC000272078839 385873914 /nfs/dbraw/zinc/87/39/14/385873914.db2.gz GXLKYOMFSIERPP-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)nc1 ZINC000272078839 385873917 /nfs/dbraw/zinc/87/39/17/385873917.db2.gz GXLKYOMFSIERPP-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)N1CCCC1 ZINC000647940672 385879437 /nfs/dbraw/zinc/87/94/37/385879437.db2.gz QHMUIIVYXKDUFB-UHFFFAOYSA-N 1 2 234.303 0.321 20 0 BCADLO C[C@@H]([NH2+]CC(F)(F)CO)C(C)(C)n1cncn1 ZINC000340495199 385975579 /nfs/dbraw/zinc/97/55/79/385975579.db2.gz UYFOOJSMANVHNB-MRVPVSSYSA-N 1 2 248.277 0.619 20 0 BCADLO CCOC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000338355375 385976800 /nfs/dbraw/zinc/97/68/00/385976800.db2.gz VOEADMGCJSMTAJ-JTQLQIEISA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000338354495 385977838 /nfs/dbraw/zinc/97/78/38/385977838.db2.gz GJOWDFJQOQODFH-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000338354495 385977842 /nfs/dbraw/zinc/97/78/42/385977842.db2.gz GJOWDFJQOQODFH-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO C[C@@H](O)C1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000189266443 385979093 /nfs/dbraw/zinc/97/90/93/385979093.db2.gz CHAAQMKEBGIQLL-RKDXNWHRSA-N 1 2 239.323 0.364 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC000336769425 385979631 /nfs/dbraw/zinc/97/96/31/385979631.db2.gz RWRQJOAQOAIMFB-JTQLQIEISA-N 1 2 227.304 0.833 20 0 BCADLO Cc1nc(C[N@@H+](C)CC(C)(CO)CO)co1 ZINC000647967083 385980531 /nfs/dbraw/zinc/98/05/31/385980531.db2.gz QFWYDUIFQFWCMA-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1nc(C[N@H+](C)CC(C)(CO)CO)co1 ZINC000647967083 385980535 /nfs/dbraw/zinc/98/05/35/385980535.db2.gz QFWYDUIFQFWCMA-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccon1 ZINC000336747974 385980666 /nfs/dbraw/zinc/98/06/66/385980666.db2.gz CYWRHLBNGIRMCN-APPZFPTMSA-N 1 2 209.249 0.604 20 0 BCADLO C[C@@]1([NH2+]C[C@H](O)Cc2ccccc2)CCOC1=O ZINC000295159080 385980933 /nfs/dbraw/zinc/98/09/33/385980933.db2.gz DBWMOSDYQFBFQN-TZMCWYRMSA-N 1 2 249.310 0.885 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378053 385984024 /nfs/dbraw/zinc/98/40/24/385984024.db2.gz DNPJNPWIHKSLJZ-BBBLOLIVSA-N 1 2 203.257 0.834 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378053 385984030 /nfs/dbraw/zinc/98/40/30/385984030.db2.gz DNPJNPWIHKSLJZ-BBBLOLIVSA-N 1 2 203.257 0.834 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000425417219 385995080 /nfs/dbraw/zinc/99/50/80/385995080.db2.gz JTTRZBAQZMMYBZ-MWODSPESSA-N 1 2 205.323 0.210 20 0 BCADLO C[C@H](O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000425417219 385995084 /nfs/dbraw/zinc/99/50/84/385995084.db2.gz JTTRZBAQZMMYBZ-MWODSPESSA-N 1 2 205.323 0.210 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@@H]1CO ZINC000286058265 385990878 /nfs/dbraw/zinc/99/08/78/385990878.db2.gz RNTWHRSQEXCYNW-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@@H]1CO ZINC000286058265 385990884 /nfs/dbraw/zinc/99/08/84/385990884.db2.gz RNTWHRSQEXCYNW-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)n2C)CC[C@@H]1C ZINC000189367195 385991079 /nfs/dbraw/zinc/99/10/79/385991079.db2.gz YXZMICKYVTUTGI-GXSJLCMTSA-N 1 2 238.335 0.980 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)n2C)CC[C@@H]1C ZINC000189367195 385991084 /nfs/dbraw/zinc/99/10/84/385991084.db2.gz YXZMICKYVTUTGI-GXSJLCMTSA-N 1 2 238.335 0.980 20 0 BCADLO C[C@@H]1SCC[N@H+](Cc2nnnn2C)[C@H]1C ZINC000345084896 385991655 /nfs/dbraw/zinc/99/16/55/385991655.db2.gz LBUFBTJOTIPWHR-YUMQZZPRSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@@H]1SCC[N@@H+](Cc2nnnn2C)[C@H]1C ZINC000345084896 385991660 /nfs/dbraw/zinc/99/16/60/385991660.db2.gz LBUFBTJOTIPWHR-YUMQZZPRSA-N 1 2 227.337 0.536 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2COCC2(C)C)c[nH+]1 ZINC000335041397 385933830 /nfs/dbraw/zinc/93/38/30/385933830.db2.gz JXEDLSBKESZXJE-SECBINFHSA-N 1 2 223.276 0.873 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@H+](CCCO)CCO1 ZINC000338276792 385938443 /nfs/dbraw/zinc/93/84/43/385938443.db2.gz BZOTXKVFWYNMHC-SNVBAGLBSA-N 1 2 213.277 0.049 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@@H+](CCCO)CCO1 ZINC000338276792 385938449 /nfs/dbraw/zinc/93/84/49/385938449.db2.gz BZOTXKVFWYNMHC-SNVBAGLBSA-N 1 2 213.277 0.049 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+](CCCO)CCO1 ZINC000338276791 385939213 /nfs/dbraw/zinc/93/92/13/385939213.db2.gz BZOTXKVFWYNMHC-JTQLQIEISA-N 1 2 213.277 0.049 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+](CCCO)CCO1 ZINC000338276791 385939218 /nfs/dbraw/zinc/93/92/18/385939218.db2.gz BZOTXKVFWYNMHC-JTQLQIEISA-N 1 2 213.277 0.049 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000335050916 385945860 /nfs/dbraw/zinc/94/58/60/385945860.db2.gz AAPYBXYXMBDRNZ-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000335050916 385945866 /nfs/dbraw/zinc/94/58/66/385945866.db2.gz AAPYBXYXMBDRNZ-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342149600 385948147 /nfs/dbraw/zinc/94/81/47/385948147.db2.gz NDZDYRKWXKMNPV-AEJSXWLSSA-N 1 2 213.277 0.801 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342149600 385948152 /nfs/dbraw/zinc/94/81/52/385948152.db2.gz NDZDYRKWXKMNPV-AEJSXWLSSA-N 1 2 213.277 0.801 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335055221 385953638 /nfs/dbraw/zinc/95/36/38/385953638.db2.gz GRXHLDLQPIVHGF-SNVBAGLBSA-N 1 2 236.319 0.865 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297284 385955535 /nfs/dbraw/zinc/95/55/35/385955535.db2.gz VXGIWJRTEAOOCO-MWLCHTKSSA-N 1 2 227.304 0.701 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297284 385955542 /nfs/dbraw/zinc/95/55/42/385955542.db2.gz VXGIWJRTEAOOCO-MWLCHTKSSA-N 1 2 227.304 0.701 20 0 BCADLO Cc1ccncc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295130161 385974903 /nfs/dbraw/zinc/97/49/03/385974903.db2.gz YJVAOROBPHRQJX-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccncc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295130161 385974907 /nfs/dbraw/zinc/97/49/07/385974907.db2.gz YJVAOROBPHRQJX-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1sccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000295254546 385998489 /nfs/dbraw/zinc/99/84/89/385998489.db2.gz GHHYUQHKZHBYDO-JTQLQIEISA-N 1 2 240.328 0.743 20 0 BCADLO Cc1sccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000295254546 385998493 /nfs/dbraw/zinc/99/84/93/385998493.db2.gz GHHYUQHKZHBYDO-JTQLQIEISA-N 1 2 240.328 0.743 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)COCCOC)C(=O)OC ZINC000336749767 385998783 /nfs/dbraw/zinc/99/87/83/385998783.db2.gz YYOONARWWINXGI-UWVGGRQHSA-N 1 2 233.308 0.579 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)[C@H]1CCNC1=O ZINC000340221827 386000995 /nfs/dbraw/zinc/00/09/95/386000995.db2.gz RIRSJPVKRXSQCR-BDAKNGLRSA-N 1 2 241.335 0.110 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340221827 386000998 /nfs/dbraw/zinc/00/09/98/386000998.db2.gz RIRSJPVKRXSQCR-BDAKNGLRSA-N 1 2 241.335 0.110 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000286155507 386002124 /nfs/dbraw/zinc/00/21/24/386002124.db2.gz YOAMFKAUTJZICT-PHIMTYICSA-N 1 2 237.303 0.909 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCC[S@@](C)=O ZINC000124220796 386002959 /nfs/dbraw/zinc/00/29/59/386002959.db2.gz DGCOSZFXJATNKJ-AWEZNQCLSA-N 1 2 215.322 0.576 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000340222358 386003774 /nfs/dbraw/zinc/00/37/74/386003774.db2.gz NARKGGZFBZZLJL-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000340222358 386003779 /nfs/dbraw/zinc/00/37/79/386003779.db2.gz NARKGGZFBZZLJL-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425420094 386004872 /nfs/dbraw/zinc/00/48/72/386004872.db2.gz LTXKSBIPTXELLD-YFKPBYRVSA-N 1 2 221.207 0.820 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425420094 386004875 /nfs/dbraw/zinc/00/48/75/386004875.db2.gz LTXKSBIPTXELLD-YFKPBYRVSA-N 1 2 221.207 0.820 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000335067227 386008303 /nfs/dbraw/zinc/00/83/03/386008303.db2.gz QXBYPTLTUWVAFB-WDEREUQCSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000335067227 386008309 /nfs/dbraw/zinc/00/83/09/386008309.db2.gz QXBYPTLTUWVAFB-WDEREUQCSA-N 1 2 239.363 0.632 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000286210404 386008936 /nfs/dbraw/zinc/00/89/36/386008936.db2.gz BGRGWUNARAFOCV-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO C[C@@H](CCO)Nc1nc[nH+]c2c1OCCN2 ZINC000647869116 386016499 /nfs/dbraw/zinc/01/64/99/386016499.db2.gz YNADLDDUAZPSHS-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BCADLO C[C@@H](CCO)Nc1[nH+]cnc2c1OCCN2 ZINC000647869116 386016504 /nfs/dbraw/zinc/01/65/04/386016504.db2.gz YNADLDDUAZPSHS-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BCADLO O=C(CCCn1cccn1)NCCc1[nH]cc[nH+]1 ZINC000345156552 386017833 /nfs/dbraw/zinc/01/78/33/386017833.db2.gz FBTKYTQWAZFLSQ-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO O[C@@H]1COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309598297 386017958 /nfs/dbraw/zinc/01/79/58/386017958.db2.gz VPBHFYFHJXLNGC-DTWKUNHWSA-N 1 2 221.260 0.526 20 0 BCADLO O=C(C1CCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366039109 386019366 /nfs/dbraw/zinc/01/93/66/386019366.db2.gz CTJNPSKWZLWMPE-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnc[nH]1 ZINC000345160205 386019454 /nfs/dbraw/zinc/01/94/54/386019454.db2.gz PBXMYDPKBKPDQP-UHFFFAOYSA-N 1 2 205.221 0.105 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226198 386019786 /nfs/dbraw/zinc/01/97/86/386019786.db2.gz OUPAVUCTZZKKMG-VHSXEESVSA-N 1 2 241.335 0.062 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226198 386019792 /nfs/dbraw/zinc/01/97/92/386019792.db2.gz OUPAVUCTZZKKMG-VHSXEESVSA-N 1 2 241.335 0.062 20 0 BCADLO CN(CCC(N)=O)c1cc(N2CCCC2)nc[nH+]1 ZINC000286306979 386022583 /nfs/dbraw/zinc/02/25/83/386022583.db2.gz HTDOBAVCOJKIJE-UHFFFAOYSA-N 1 2 249.318 0.388 20 0 BCADLO CN(CCC(N)=O)c1cc(N2CCCC2)[nH+]cn1 ZINC000286306979 386022587 /nfs/dbraw/zinc/02/25/87/386022587.db2.gz HTDOBAVCOJKIJE-UHFFFAOYSA-N 1 2 249.318 0.388 20 0 BCADLO CCC[C@H](Nc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000286317604 386022864 /nfs/dbraw/zinc/02/28/64/386022864.db2.gz IJXKHEZXONTGLL-QMMMGPOBSA-N 1 2 248.290 0.429 20 0 BCADLO C[C@H](O)CCN(C)c1nc[nH+]c2c1OCCN2 ZINC000647869725 386022875 /nfs/dbraw/zinc/02/28/75/386022875.db2.gz QKAQMIGYHMIZCZ-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@H](O)CCN(C)c1[nH+]cnc2c1OCCN2 ZINC000647869725 386022878 /nfs/dbraw/zinc/02/28/78/386022878.db2.gz QKAQMIGYHMIZCZ-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@@H](O)CCN(C)c1nc[nH+]c2c1OCCN2 ZINC000647869724 386023758 /nfs/dbraw/zinc/02/37/58/386023758.db2.gz QKAQMIGYHMIZCZ-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@@H](O)CCN(C)c1[nH+]cnc2c1OCCN2 ZINC000647869724 386023761 /nfs/dbraw/zinc/02/37/61/386023761.db2.gz QKAQMIGYHMIZCZ-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159444188 386027714 /nfs/dbraw/zinc/02/77/14/386027714.db2.gz GWOOJDGAINSXHG-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159444188 386027717 /nfs/dbraw/zinc/02/77/17/386027717.db2.gz GWOOJDGAINSXHG-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO C[C@H](CO)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000286359712 386029243 /nfs/dbraw/zinc/02/92/43/386029243.db2.gz HTPWDYPLXFLKLW-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@H](CO)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000286359712 386029248 /nfs/dbraw/zinc/02/92/48/386029248.db2.gz HTPWDYPLXFLKLW-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NC(N)=O ZINC000334435146 386056872 /nfs/dbraw/zinc/05/68/72/386056872.db2.gz OLWYIDMDKFHRCT-QMMMGPOBSA-N 1 2 233.271 0.758 20 0 BCADLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NC(N)=O ZINC000334435146 386056873 /nfs/dbraw/zinc/05/68/73/386056873.db2.gz OLWYIDMDKFHRCT-QMMMGPOBSA-N 1 2 233.271 0.758 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(CCO)C1CCC1 ZINC000222122527 386037129 /nfs/dbraw/zinc/03/71/29/386037129.db2.gz NAHLAMCMMVQMKU-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425421639 386041598 /nfs/dbraw/zinc/04/15/98/386041598.db2.gz OAXYOIBCXSBOMV-RITPCOANSA-N 1 2 233.218 0.820 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425421639 386041603 /nfs/dbraw/zinc/04/16/03/386041603.db2.gz OAXYOIBCXSBOMV-RITPCOANSA-N 1 2 233.218 0.820 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cc[nH]c1 ZINC000345182418 386051370 /nfs/dbraw/zinc/05/13/70/386051370.db2.gz AQGBBUSHITXEHZ-UHFFFAOYSA-N 1 2 204.233 0.710 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000295232505 385995495 /nfs/dbraw/zinc/99/54/95/385995495.db2.gz DBFAMPWBVVBFLD-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000295232505 385995501 /nfs/dbraw/zinc/99/55/01/385995501.db2.gz DBFAMPWBVVBFLD-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO C[C@H](CF)NC(=O)NCc1[nH+]ccn1C ZINC000287214146 386104184 /nfs/dbraw/zinc/10/41/84/386104184.db2.gz AEMHKTRRAPBSCW-SSDOTTSWSA-N 1 2 214.244 0.577 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000425460629 386104385 /nfs/dbraw/zinc/10/43/85/386104385.db2.gz SHDXVPIIFMVHTA-SNVBAGLBSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000425460629 386104391 /nfs/dbraw/zinc/10/43/91/386104391.db2.gz SHDXVPIIFMVHTA-SNVBAGLBSA-N 1 2 224.308 0.672 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000076048659 386109767 /nfs/dbraw/zinc/10/97/67/386109767.db2.gz LUDAZNLKBWWKQP-NXEZZACHSA-N 1 2 227.308 0.026 20 0 BCADLO CN(CCC1CC1)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345843141 386124420 /nfs/dbraw/zinc/12/44/20/386124420.db2.gz PMSUIKDUBRHNHU-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO COc1ncccc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000373238343 386059468 /nfs/dbraw/zinc/05/94/68/386059468.db2.gz ZIHQGIZUZAWXSL-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ncccc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000373238343 386059475 /nfs/dbraw/zinc/05/94/75/386059475.db2.gz ZIHQGIZUZAWXSL-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccncc1 ZINC000334442218 386059498 /nfs/dbraw/zinc/05/94/98/386059498.db2.gz CTQAILCOYRGWCZ-VHSXEESVSA-N 1 2 219.288 0.782 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccncc1 ZINC000334442218 386059506 /nfs/dbraw/zinc/05/95/06/386059506.db2.gz CTQAILCOYRGWCZ-VHSXEESVSA-N 1 2 219.288 0.782 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000334442509 386061472 /nfs/dbraw/zinc/06/14/72/386061472.db2.gz CJIXVIJJLVHGFU-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000334442509 386061476 /nfs/dbraw/zinc/06/14/76/386061476.db2.gz CJIXVIJJLVHGFU-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439501 386064817 /nfs/dbraw/zinc/06/48/17/386064817.db2.gz AOARENQSPNGVFQ-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439501 386064825 /nfs/dbraw/zinc/06/48/25/386064825.db2.gz AOARENQSPNGVFQ-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO O=C1CCC(=O)N1CC[N@@H+]1CCOCC12CC2 ZINC000338593469 386065328 /nfs/dbraw/zinc/06/53/28/386065328.db2.gz QXHANOLPADMXLR-UHFFFAOYSA-N 1 2 238.287 0.000 20 0 BCADLO O=C1CCC(=O)N1CC[N@H+]1CCOCC12CC2 ZINC000338593469 386065336 /nfs/dbraw/zinc/06/53/36/386065336.db2.gz QXHANOLPADMXLR-UHFFFAOYSA-N 1 2 238.287 0.000 20 0 BCADLO CN(CCC1CC1)C(=O)[C@@H]1COCC[N@H+]1C ZINC000345843141 386124425 /nfs/dbraw/zinc/12/44/25/386124425.db2.gz PMSUIKDUBRHNHU-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439504 386067462 /nfs/dbraw/zinc/06/74/62/386067462.db2.gz AOARENQSPNGVFQ-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439504 386067467 /nfs/dbraw/zinc/06/74/67/386067467.db2.gz AOARENQSPNGVFQ-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593692 386070637 /nfs/dbraw/zinc/07/06/37/386070637.db2.gz UIZALZDPJBPBTR-JQWIXIFHSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593692 386070643 /nfs/dbraw/zinc/07/06/43/386070643.db2.gz UIZALZDPJBPBTR-JQWIXIFHSA-N 1 2 246.326 0.553 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[C@@H]1C(F)F)[NH+]1CCOCC1 ZINC000345837389 386122264 /nfs/dbraw/zinc/12/22/64/386122264.db2.gz ZKOAKBFUMZVMFT-HRDYMLBCSA-N 1 2 248.273 0.477 20 0 BCADLO c1[nH]nc2c1N(CC[NH+]1CCOCC1)CCC2 ZINC000425441023 386072551 /nfs/dbraw/zinc/07/25/51/386072551.db2.gz FAULEKKKLRHGEV-UHFFFAOYSA-N 1 2 236.319 0.495 20 0 BCADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)NC1CCCC1 ZINC000338622033 386074373 /nfs/dbraw/zinc/07/43/73/386074373.db2.gz AJTHVQYKAZSODD-GFCCVEGCSA-N 1 2 244.310 0.452 20 0 BCADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)NC1CCCC1 ZINC000338622033 386074375 /nfs/dbraw/zinc/07/43/75/386074375.db2.gz AJTHVQYKAZSODD-GFCCVEGCSA-N 1 2 244.310 0.452 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C(F)F)[NH+]1CCOCC1 ZINC000345837390 386122426 /nfs/dbraw/zinc/12/24/26/386122426.db2.gz ZKOAKBFUMZVMFT-IWSPIJDZSA-N 1 2 248.273 0.477 20 0 BCADLO C[N@H+](CC[S@@](=O)c1ccccc1)CC(N)=O ZINC000338609820 386077045 /nfs/dbraw/zinc/07/70/45/386077045.db2.gz RDHMQPFFWVTKPC-MRXNPFEDSA-N 1 2 240.328 0.211 20 0 BCADLO C[N@@H+](CC[S@@](=O)c1ccccc1)CC(N)=O ZINC000338609820 386077051 /nfs/dbraw/zinc/07/70/51/386077051.db2.gz RDHMQPFFWVTKPC-MRXNPFEDSA-N 1 2 240.328 0.211 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(C2CC2)C1 ZINC000643293250 386079294 /nfs/dbraw/zinc/07/92/94/386079294.db2.gz XBPKILHDTSANSE-UHFFFAOYSA-N 1 2 205.261 0.752 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C2CC2)C1 ZINC000643293254 386079559 /nfs/dbraw/zinc/07/95/59/386079559.db2.gz XIHLVCHUYWODCV-LBPRGKRZSA-N 1 2 238.331 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C2CC2)C1 ZINC000643293254 386079567 /nfs/dbraw/zinc/07/95/67/386079567.db2.gz XIHLVCHUYWODCV-LBPRGKRZSA-N 1 2 238.331 0.576 20 0 BCADLO COC(=O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493173347 533158514 /nfs/dbraw/zinc/15/85/14/533158514.db2.gz UKVYFKRMMDPFQQ-PLNGDYQASA-N 1 2 237.259 0.491 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338637986 386080686 /nfs/dbraw/zinc/08/06/86/386080686.db2.gz QWSFASKHEPJRRZ-IUCAKERBSA-N 1 2 240.303 0.339 20 0 BCADLO CCO[C@H]1C[C@]([NH2+]CCO)(C(=O)OC)C1(C)C ZINC000189820541 386091183 /nfs/dbraw/zinc/09/11/83/386091183.db2.gz DXZWLXXELBCLMT-CABZTGNLSA-N 1 2 245.319 0.315 20 0 BCADLO C[N@H+](Cc1nc(C(F)F)no1)C1(CO)CC1 ZINC000425455293 386097050 /nfs/dbraw/zinc/09/70/50/386097050.db2.gz GDFZLUNMKIQYMQ-UHFFFAOYSA-N 1 2 233.218 0.964 20 0 BCADLO C[N@@H+](Cc1nc(C(F)F)no1)C1(CO)CC1 ZINC000425455293 386097055 /nfs/dbraw/zinc/09/70/55/386097055.db2.gz GDFZLUNMKIQYMQ-UHFFFAOYSA-N 1 2 233.218 0.964 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000295870221 386098336 /nfs/dbraw/zinc/09/83/36/386098336.db2.gz XROHYBJNZAWGGR-ZJUUUORDSA-N 1 2 237.303 0.944 20 0 BCADLO CO[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287730835 386145480 /nfs/dbraw/zinc/14/54/80/386145480.db2.gz ODQFAWZMSUTYCT-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190079674 386145671 /nfs/dbraw/zinc/14/56/71/386145671.db2.gz GTINVWNNDMOGOT-VIFPVBQESA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190079674 386145678 /nfs/dbraw/zinc/14/56/78/386145678.db2.gz GTINVWNNDMOGOT-VIFPVBQESA-N 1 2 222.292 0.381 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccn1C ZINC000190084704 386145757 /nfs/dbraw/zinc/14/57/57/386145757.db2.gz QPLHICBDCODPLL-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccn1C ZINC000190084704 386145761 /nfs/dbraw/zinc/14/57/61/386145761.db2.gz QPLHICBDCODPLL-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@H]1CC ZINC000440776044 386146187 /nfs/dbraw/zinc/14/61/87/386146187.db2.gz PJWCDJPYXLSPBC-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@H]1CC ZINC000440776044 386146193 /nfs/dbraw/zinc/14/61/93/386146193.db2.gz PJWCDJPYXLSPBC-RKDXNWHRSA-N 1 2 202.273 0.945 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248401006 386146388 /nfs/dbraw/zinc/14/63/88/386146388.db2.gz YPMFVPBWSBAOIK-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248401006 386146392 /nfs/dbraw/zinc/14/63/92/386146392.db2.gz YPMFVPBWSBAOIK-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CC1=CCCOC1 ZINC000190094792 386146645 /nfs/dbraw/zinc/14/66/45/386146645.db2.gz SXAXXPAUVFWVQI-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CC1=CCCOC1 ZINC000190094792 386146649 /nfs/dbraw/zinc/14/66/49/386146649.db2.gz SXAXXPAUVFWVQI-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO C[N@H+](Cc1cccc2nccn21)[C@H]1CCNC1=O ZINC000334474178 386148251 /nfs/dbraw/zinc/14/82/51/386148251.db2.gz MIIJNEICJQUBGV-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cccc2nccn21)[C@H]1CCNC1=O ZINC000334474178 386148255 /nfs/dbraw/zinc/14/82/55/386148255.db2.gz MIIJNEICJQUBGV-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H](O)[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235266144 386150026 /nfs/dbraw/zinc/15/00/26/386150026.db2.gz HPVUQLBWSPUUBV-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H](O)[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235266144 386150031 /nfs/dbraw/zinc/15/00/31/386150031.db2.gz HPVUQLBWSPUUBV-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO COC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000130213186 386150290 /nfs/dbraw/zinc/15/02/90/386150290.db2.gz VZVIMCRELAFQML-MRVPVSSYSA-N 1 2 236.275 0.266 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000346173498 386159819 /nfs/dbraw/zinc/15/98/19/386159819.db2.gz AEVMGCQBLJYHAH-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cncc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346173498 386159825 /nfs/dbraw/zinc/15/98/25/386159825.db2.gz AEVMGCQBLJYHAH-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cncc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346173498 386159828 /nfs/dbraw/zinc/15/98/28/386159828.db2.gz AEVMGCQBLJYHAH-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000310200725 386159840 /nfs/dbraw/zinc/15/98/40/386159840.db2.gz BNHXNPZWLUSTRP-ZCFIWIBFSA-N 1 2 238.295 0.041 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000310200725 386159842 /nfs/dbraw/zinc/15/98/42/386159842.db2.gz BNHXNPZWLUSTRP-ZCFIWIBFSA-N 1 2 238.295 0.041 20 0 BCADLO O=C(c1c[nH]cn1)N1CC[NH+](C2CC2)CC1 ZINC000263641450 386161415 /nfs/dbraw/zinc/16/14/15/386161415.db2.gz BJQAXCAVRXYNJY-UHFFFAOYSA-N 1 2 220.276 0.330 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000263641450 386161419 /nfs/dbraw/zinc/16/14/19/386161419.db2.gz BJQAXCAVRXYNJY-UHFFFAOYSA-N 1 2 220.276 0.330 20 0 BCADLO Cc1cnc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000346185853 386162999 /nfs/dbraw/zinc/16/29/99/386162999.db2.gz KXQXSUSSZQUTQD-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1cnc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000346185853 386163001 /nfs/dbraw/zinc/16/30/01/386163001.db2.gz KXQXSUSSZQUTQD-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cn1cccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288096238 386166081 /nfs/dbraw/zinc/16/60/81/386166081.db2.gz OKLGCJCGRNUCHJ-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000310258821 386166564 /nfs/dbraw/zinc/16/65/64/386166564.db2.gz PZVDCFVTHDRFHY-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC000310258821 386166570 /nfs/dbraw/zinc/16/65/70/386166570.db2.gz PZVDCFVTHDRFHY-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO Cc1[nH]c(C(=O)NCC2=CCCOC2)c[nH+]1 ZINC000288142883 386170820 /nfs/dbraw/zinc/17/08/20/386170820.db2.gz XBPMVEYGFQPMKJ-UHFFFAOYSA-N 1 2 221.260 0.795 20 0 BCADLO COC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(=O)OC ZINC000336753985 386174730 /nfs/dbraw/zinc/17/47/30/386174730.db2.gz HESDSMRLPCHLCB-KYXWUPHJSA-N 1 2 215.293 0.809 20 0 BCADLO C[C@H](O)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000425484024 386175823 /nfs/dbraw/zinc/17/58/23/386175823.db2.gz SFSGEWNCXPKTAR-QMMMGPOBSA-N 1 2 240.307 0.461 20 0 BCADLO COC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000288244406 386177918 /nfs/dbraw/zinc/17/79/18/386177918.db2.gz QRYIEARAUJYVIZ-JTQLQIEISA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000263818942 386181141 /nfs/dbraw/zinc/18/11/41/386181141.db2.gz JDPJWQNBTDVBND-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO COCC[NH+]1CCN(C(C)(C)COC)CC1 ZINC000425500417 386182277 /nfs/dbraw/zinc/18/22/77/386182277.db2.gz BJENBVSGOLXNRH-UHFFFAOYSA-N 1 2 230.352 0.675 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502924 386185216 /nfs/dbraw/zinc/18/52/16/386185216.db2.gz RHVUYXKTJUOXAK-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502924 386185223 /nfs/dbraw/zinc/18/52/23/386185223.db2.gz RHVUYXKTJUOXAK-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2CCO)c[nH+]1 ZINC000275143025 386186271 /nfs/dbraw/zinc/18/62/71/386186271.db2.gz PMNQCGIOPNIQAK-VHSXEESVSA-N 1 2 237.303 0.999 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2CCO)c[nH+]1 ZINC000275143027 386186378 /nfs/dbraw/zinc/18/63/78/386186378.db2.gz PMNQCGIOPNIQAK-ZJUUUORDSA-N 1 2 237.303 0.999 20 0 BCADLO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)OC)C1(C)C ZINC000189971380 386126550 /nfs/dbraw/zinc/12/65/50/386126550.db2.gz WCCSZAQXMKVXKZ-SKDRFNHKSA-N 1 2 245.319 0.315 20 0 BCADLO Cn1ncnc1CNC[C@H](c1ccco1)[NH+](C)C ZINC000638295552 386133764 /nfs/dbraw/zinc/13/37/64/386133764.db2.gz YSUVPYKXUHALFP-SNVBAGLBSA-N 1 2 249.318 0.801 20 0 BCADLO CN(C)c1ncc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000296096039 386135228 /nfs/dbraw/zinc/13/52/28/386135228.db2.gz RNSYXQPSPSMSAH-UHFFFAOYSA-N 1 2 248.330 0.906 20 0 BCADLO CN(C)c1ncc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000296096039 386135231 /nfs/dbraw/zinc/13/52/31/386135231.db2.gz RNSYXQPSPSMSAH-UHFFFAOYSA-N 1 2 248.330 0.906 20 0 BCADLO C[C@H](CNC(=O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC000274646283 386135630 /nfs/dbraw/zinc/13/56/30/386135630.db2.gz ARZZMPQGDQOODT-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO CC(C)(C)OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000163117017 386140870 /nfs/dbraw/zinc/14/08/70/386140870.db2.gz XBOHUGHCHSKLKO-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)CF ZINC000287696877 386143489 /nfs/dbraw/zinc/14/34/89/386143489.db2.gz UFIOFFYYAISDHU-DTWKUNHWSA-N 1 2 228.271 0.929 20 0 BCADLO Cc1ocnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264004421 386201501 /nfs/dbraw/zinc/20/15/01/386201501.db2.gz SFFWVJKRLOOJBP-MRVPVSSYSA-N 1 2 234.259 0.998 20 0 BCADLO COC[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264018091 386202449 /nfs/dbraw/zinc/20/24/49/386202449.db2.gz FXWDYOYLNNBCJG-NXEZZACHSA-N 1 2 225.292 0.670 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000408356302 386202637 /nfs/dbraw/zinc/20/26/37/386202637.db2.gz DTXDZRNVAUTOSG-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000408356302 386202641 /nfs/dbraw/zinc/20/26/41/386202641.db2.gz DTXDZRNVAUTOSG-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1cnn[nH]1 ZINC000340284329 386209117 /nfs/dbraw/zinc/20/91/17/386209117.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cnn[nH]1 ZINC000340284329 386209119 /nfs/dbraw/zinc/20/91/19/386209119.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1c[nH]nn1 ZINC000340284329 386209122 /nfs/dbraw/zinc/20/91/22/386209122.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1c[nH]nn1 ZINC000340284329 386209126 /nfs/dbraw/zinc/20/91/26/386209126.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1cn[nH]n1 ZINC000340284329 386209127 /nfs/dbraw/zinc/20/91/27/386209127.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cn[nH]n1 ZINC000340284329 386209131 /nfs/dbraw/zinc/20/91/31/386209131.db2.gz GRFVEWCDQKOJFP-SSDOTTSWSA-N 1 2 212.253 0.046 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000408358594 386211774 /nfs/dbraw/zinc/21/17/74/386211774.db2.gz PLRYFEQXCVJSNB-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000408358594 386211776 /nfs/dbraw/zinc/21/17/76/386211776.db2.gz PLRYFEQXCVJSNB-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO C[NH+](C)C1CN(C(=O)C(=O)c2ccc(O)cc2)C1 ZINC000288557926 386215242 /nfs/dbraw/zinc/21/52/42/386215242.db2.gz QUMQEYLIMWBUIL-UHFFFAOYSA-N 1 2 248.282 0.347 20 0 BCADLO CO[C@@H](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264227679 386218739 /nfs/dbraw/zinc/21/87/39/386218739.db2.gz VEJBMJZEGLVINM-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)c2ccco2)CC1 ZINC000275519178 386218881 /nfs/dbraw/zinc/21/88/81/386218881.db2.gz VDINPPXGUCIMAY-UHFFFAOYSA-N 1 2 244.316 0.606 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347027980 386219542 /nfs/dbraw/zinc/21/95/42/386219542.db2.gz VMDDWYHMOTVBHG-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347027980 386219545 /nfs/dbraw/zinc/21/95/45/386219545.db2.gz VMDDWYHMOTVBHG-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO O=C(c1cocn1)N1CC[NH+](C2CC2)CC1 ZINC000264291267 386224867 /nfs/dbraw/zinc/22/48/67/386224867.db2.gz XBQYDQPOTHNAMH-UHFFFAOYSA-N 1 2 221.260 0.595 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000347036574 386226347 /nfs/dbraw/zinc/22/63/47/386226347.db2.gz QYRQZNXALWHIEO-VXGBXAGGSA-N 1 2 241.379 0.927 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(C)CC1 ZINC000347036574 386226350 /nfs/dbraw/zinc/22/63/50/386226350.db2.gz QYRQZNXALWHIEO-VXGBXAGGSA-N 1 2 241.379 0.927 20 0 BCADLO Fc1cncc(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000347041419 386226482 /nfs/dbraw/zinc/22/64/82/386226482.db2.gz YDQDUCDGYMKPDD-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cncc(C[N@H+]2CCn3cnnc3C2)c1 ZINC000347041419 386226486 /nfs/dbraw/zinc/22/64/86/386226486.db2.gz YDQDUCDGYMKPDD-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCSC1 ZINC000288704032 386227420 /nfs/dbraw/zinc/22/74/20/386227420.db2.gz IIEQVTRQSCKZMK-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO COc1ccncc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000347128205 386236877 /nfs/dbraw/zinc/23/68/77/386236877.db2.gz HRGREETWEWDZOJ-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccncc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000347128205 386236881 /nfs/dbraw/zinc/23/68/81/386236881.db2.gz HRGREETWEWDZOJ-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071523 386237596 /nfs/dbraw/zinc/23/75/96/386237596.db2.gz RODVNIAGIUNXTI-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071523 386237602 /nfs/dbraw/zinc/23/76/02/386237602.db2.gz RODVNIAGIUNXTI-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1ccon1 ZINC000336642812 386247552 /nfs/dbraw/zinc/24/75/52/386247552.db2.gz AZINJBMUCHZIHM-UHFFFAOYSA-N 1 2 207.237 0.398 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1ccon1 ZINC000336642812 386247556 /nfs/dbraw/zinc/24/75/56/386247556.db2.gz AZINJBMUCHZIHM-UHFFFAOYSA-N 1 2 207.237 0.398 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(CO)cc1 ZINC000187037390 386247916 /nfs/dbraw/zinc/24/79/16/386247916.db2.gz XTLDSJQPVPLAGV-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC000187037390 386247919 /nfs/dbraw/zinc/24/79/19/386247919.db2.gz XTLDSJQPVPLAGV-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000347102356 386249991 /nfs/dbraw/zinc/24/99/91/386249991.db2.gz KJTUBFKAAMIGLE-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000347102356 386249995 /nfs/dbraw/zinc/24/99/95/386249995.db2.gz KJTUBFKAAMIGLE-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000336648576 386261038 /nfs/dbraw/zinc/26/10/38/386261038.db2.gz PCTCWSSTARWGCD-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000336648576 386261042 /nfs/dbraw/zinc/26/10/42/386261042.db2.gz PCTCWSSTARWGCD-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CCN(CC)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647932773 386251910 /nfs/dbraw/zinc/25/19/10/386251910.db2.gz PMMUGXYUJPNETD-UHFFFAOYSA-N 1 2 236.319 0.636 20 0 BCADLO CN(c1nc2c(cnn2C)c(N)[nH+]1)C1CCC1 ZINC000275956565 386254556 /nfs/dbraw/zinc/25/45/56/386254556.db2.gz CVVRBFXZNXTGQX-UHFFFAOYSA-N 1 2 232.291 0.934 20 0 BCADLO O=C(c1ccncn1)N1CC[NH+](C2CC2)CC1 ZINC000275250157 386195300 /nfs/dbraw/zinc/19/53/00/386195300.db2.gz HCVYBFSXEABXBT-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO CCC(CC)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191014545 386198433 /nfs/dbraw/zinc/19/84/33/386198433.db2.gz ZYGWESXIRIMCPV-SCZZXKLOSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339166908 386282284 /nfs/dbraw/zinc/28/22/84/386282284.db2.gz GEKQWIQEUDERON-QMMMGPOBSA-N 1 2 239.275 0.030 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@H](C)O)C1 ZINC000425505092 386283500 /nfs/dbraw/zinc/28/35/00/386283500.db2.gz AKYVFZZCUXMYJH-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@H](C)O)C1 ZINC000425505092 386283504 /nfs/dbraw/zinc/28/35/04/386283504.db2.gz AKYVFZZCUXMYJH-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO Cc1nc(C[NH2+]C2(C(N)=O)CC2)c(C)s1 ZINC000336743113 386287166 /nfs/dbraw/zinc/28/71/66/386287166.db2.gz XPACOTNPNRPMKL-UHFFFAOYSA-N 1 2 225.317 0.867 20 0 BCADLO COC(=O)C[N@H+](CCc1cn[nH]c1)C1CC1 ZINC000297979045 386289714 /nfs/dbraw/zinc/28/97/14/386289714.db2.gz XXNQHZSSXWPGKD-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO COC(=O)C[N@@H+](CCc1cn[nH]c1)C1CC1 ZINC000297979045 386289721 /nfs/dbraw/zinc/28/97/21/386289721.db2.gz XXNQHZSSXWPGKD-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198367 386290094 /nfs/dbraw/zinc/29/00/94/386290094.db2.gz ILVPAPHFEVNQMO-HTQZYQBOSA-N 1 2 226.280 0.071 20 0 BCADLO C[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198367 386290099 /nfs/dbraw/zinc/29/00/99/386290099.db2.gz ILVPAPHFEVNQMO-HTQZYQBOSA-N 1 2 226.280 0.071 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC2(O)CCC2)C1 ZINC000425514576 386290359 /nfs/dbraw/zinc/29/03/59/386290359.db2.gz QPOZDAYPRKYORL-UHFFFAOYSA-N 1 2 226.320 0.803 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000425514576 386290368 /nfs/dbraw/zinc/29/03/68/386290368.db2.gz QPOZDAYPRKYORL-UHFFFAOYSA-N 1 2 226.320 0.803 20 0 BCADLO CO[C@@H]1C[NH+](Cc2nccn2C)C[C@H]1OC ZINC000336666956 386293219 /nfs/dbraw/zinc/29/32/19/386293219.db2.gz MERQBZVQHJJSQV-NXEZZACHSA-N 1 2 225.292 0.266 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)nc1 ZINC000336666930 386293611 /nfs/dbraw/zinc/29/36/11/386293611.db2.gz LURHBCHQPRWICY-MNOVXSKESA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)nc1 ZINC000336666930 386293613 /nfs/dbraw/zinc/29/36/13/386293613.db2.gz LURHBCHQPRWICY-MNOVXSKESA-N 1 2 221.304 0.988 20 0 BCADLO C[C@@H](CO)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298133066 386299606 /nfs/dbraw/zinc/29/96/06/386299606.db2.gz CIVNAXQSCKOAOR-BDAKNGLRSA-N 1 2 240.307 0.310 20 0 BCADLO C[C@@H](CO)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298133066 386299609 /nfs/dbraw/zinc/29/96/09/386299609.db2.gz CIVNAXQSCKOAOR-BDAKNGLRSA-N 1 2 240.307 0.310 20 0 BCADLO Cc1cc(C)n(CC[NH2+][C@@]2(C)CCOC2=O)n1 ZINC000289416386 386302441 /nfs/dbraw/zinc/30/24/41/386302441.db2.gz BJPVYRZECPCCCR-LBPRGKRZSA-N 1 2 237.303 0.795 20 0 BCADLO Cc1cn2cc(NC(=O)[C@H](C)O)ccc2[nH+]1 ZINC000276314475 386302888 /nfs/dbraw/zinc/30/28/88/386302888.db2.gz FZMPREYQCLDBPZ-QMMMGPOBSA-N 1 2 219.244 0.962 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C)C1 ZINC000334481415 386303053 /nfs/dbraw/zinc/30/30/53/386303053.db2.gz VJYUSAWXTSNLAU-MNOVXSKESA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C)C1 ZINC000334481415 386303059 /nfs/dbraw/zinc/30/30/59/386303059.db2.gz VJYUSAWXTSNLAU-MNOVXSKESA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1nnnn1C ZINC000188209470 386306684 /nfs/dbraw/zinc/30/66/84/386306684.db2.gz RWRBUEFGPGPAJQ-MRVPVSSYSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1nnnn1C ZINC000188209470 386306689 /nfs/dbraw/zinc/30/66/89/386306689.db2.gz RWRBUEFGPGPAJQ-MRVPVSSYSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@@H](C[N@@H+]1CCN(C)C[C@H]1C)CS(C)(=O)=O ZINC000336674056 386307125 /nfs/dbraw/zinc/30/71/25/386307125.db2.gz LBGRFPBNTZHIGS-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C[N@H+]1CCN(C)C[C@H]1C)CS(C)(=O)=O ZINC000336674056 386307136 /nfs/dbraw/zinc/30/71/36/386307136.db2.gz LBGRFPBNTZHIGS-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@H+](C)C[C@H]1C)CS(C)(=O)=O ZINC000336674056 386307140 /nfs/dbraw/zinc/30/71/40/386307140.db2.gz LBGRFPBNTZHIGS-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@@H+](C)C[C@H]1C)CS(C)(=O)=O ZINC000336674056 386307142 /nfs/dbraw/zinc/30/71/42/386307142.db2.gz LBGRFPBNTZHIGS-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H](CO)C2)c[nH+]1 ZINC000298321613 386324944 /nfs/dbraw/zinc/32/49/44/386324944.db2.gz NIZWDYZUKTZVMA-UWVGGRQHSA-N 1 2 237.303 0.999 20 0 BCADLO CCC(=O)N1CCN(CCn2cc[nH+]c2)C1 ZINC000425518977 386309618 /nfs/dbraw/zinc/30/96/18/386309618.db2.gz NSHQNRMDIVARQB-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+](C)CCC(N)=O ZINC000289540313 386325167 /nfs/dbraw/zinc/32/51/67/386325167.db2.gz HZRAKNXFGHVDCE-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+](C)CCC(N)=O ZINC000289540313 386325174 /nfs/dbraw/zinc/32/51/74/386325174.db2.gz HZRAKNXFGHVDCE-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO CC(C)([NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000236814461 386315162 /nfs/dbraw/zinc/31/51/62/386315162.db2.gz BLKAPUSRCXIWOJ-UHFFFAOYSA-N 1 2 219.248 0.634 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCCOCC1 ZINC000336670509 386315653 /nfs/dbraw/zinc/31/56/53/386315653.db2.gz HKIUQIPLTMAPOU-UHFFFAOYSA-N 1 2 221.322 0.143 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCCOCC1 ZINC000336670509 386315656 /nfs/dbraw/zinc/31/56/56/386315656.db2.gz HKIUQIPLTMAPOU-UHFFFAOYSA-N 1 2 221.322 0.143 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2ncnn2C)[C@@H](C)C1 ZINC000336670742 386315741 /nfs/dbraw/zinc/31/57/41/386315741.db2.gz WILKKAGHXQYOKD-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2C)[C@@H](C)C1 ZINC000336670742 386315745 /nfs/dbraw/zinc/31/57/45/386315745.db2.gz WILKKAGHXQYOKD-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO Cn1cc(C(=O)NCCNc2cccc[nH+]2)nn1 ZINC000289498025 386316872 /nfs/dbraw/zinc/31/68/72/386316872.db2.gz DFDDVEMCEGFNJT-UHFFFAOYSA-N 1 2 246.274 0.052 20 0 BCADLO CCn1nc(C)c(C[N@H+](CC)CC(N)=O)c1C ZINC000276416708 386319691 /nfs/dbraw/zinc/31/96/91/386319691.db2.gz FWTWSYFLDIUFKI-UHFFFAOYSA-N 1 2 238.335 0.827 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CC)CC(N)=O)c1C ZINC000276416708 386319695 /nfs/dbraw/zinc/31/96/95/386319695.db2.gz FWTWSYFLDIUFKI-UHFFFAOYSA-N 1 2 238.335 0.827 20 0 BCADLO COC[C@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000289516539 386320227 /nfs/dbraw/zinc/32/02/27/386320227.db2.gz FRJSPSPLFBYYOH-LLVKDONJSA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000289516539 386320230 /nfs/dbraw/zinc/32/02/30/386320230.db2.gz FRJSPSPLFBYYOH-LLVKDONJSA-N 1 2 239.319 0.576 20 0 BCADLO Cn1ccc(C[N@@H+]2CCSC[C@H]2CCO)n1 ZINC000336674996 386320339 /nfs/dbraw/zinc/32/03/39/386320339.db2.gz LTGBOTUXHLIMKG-LLVKDONJSA-N 1 2 241.360 0.720 20 0 BCADLO Cn1ccc(C[N@H+]2CCSC[C@H]2CCO)n1 ZINC000336674996 386320341 /nfs/dbraw/zinc/32/03/41/386320341.db2.gz LTGBOTUXHLIMKG-LLVKDONJSA-N 1 2 241.360 0.720 20 0 BCADLO CSCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347284509 386321269 /nfs/dbraw/zinc/32/12/69/386321269.db2.gz ABYFCUKTXGDZBS-UHFFFAOYSA-N 1 2 244.360 0.330 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)Cc1ccco1 ZINC000298304301 386323288 /nfs/dbraw/zinc/32/32/88/386323288.db2.gz WYPFJQDLPNSGRW-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)Cc1ccco1 ZINC000298304301 386323291 /nfs/dbraw/zinc/32/32/91/386323291.db2.gz WYPFJQDLPNSGRW-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO CCC[C@@](C)([NH2+]CCn1cncn1)C(=O)OC ZINC000264735250 386267576 /nfs/dbraw/zinc/26/75/76/386267576.db2.gz QLTRVDMZQXZPAF-LLVKDONJSA-N 1 2 240.307 0.600 20 0 BCADLO O=C1C[N@H+](CCCCO)CCN1C1CC1 ZINC000336653349 386268381 /nfs/dbraw/zinc/26/83/81/386268381.db2.gz YECDMBSTNUCQIQ-UHFFFAOYSA-N 1 2 212.293 0.066 20 0 BCADLO O=C1C[N@@H+](CCCCO)CCN1C1CC1 ZINC000336653349 386268384 /nfs/dbraw/zinc/26/83/84/386268384.db2.gz YECDMBSTNUCQIQ-UHFFFAOYSA-N 1 2 212.293 0.066 20 0 BCADLO C[N@H+](CCN1CCOCC1)Cc1cnns1 ZINC000336653017 386268521 /nfs/dbraw/zinc/26/85/21/386268521.db2.gz FXLNVAQLFSHWCJ-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO C[N@@H+](CCN1CCOCC1)Cc1cnns1 ZINC000336653017 386268525 /nfs/dbraw/zinc/26/85/25/386268525.db2.gz FXLNVAQLFSHWCJ-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO C[C@H](O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000276083641 386270197 /nfs/dbraw/zinc/27/01/97/386270197.db2.gz GRTGUZBWMYFCNX-IUCAKERBSA-N 1 2 223.276 0.844 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC000425507178 386272597 /nfs/dbraw/zinc/27/25/97/386272597.db2.gz DTLNBIWLNMKRSK-SNVBAGLBSA-N 1 2 214.309 0.923 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](CC)OC)C1 ZINC000425507178 386272602 /nfs/dbraw/zinc/27/26/02/386272602.db2.gz DTLNBIWLNMKRSK-SNVBAGLBSA-N 1 2 214.309 0.923 20 0 BCADLO O=C1C[N@H+](CC[C@H](O)c2ccccc2)CCN1 ZINC000289237396 386275208 /nfs/dbraw/zinc/27/52/08/386275208.db2.gz MMIDYQDCFMUXNL-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1C[N@@H+](CC[C@H](O)c2ccccc2)CCN1 ZINC000289237396 386275214 /nfs/dbraw/zinc/27/52/14/386275214.db2.gz MMIDYQDCFMUXNL-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO Cc1[nH]c(C(=O)NCC2CCOCC2)c[nH+]1 ZINC000264855511 386275694 /nfs/dbraw/zinc/27/56/94/386275694.db2.gz NYCPPBDWEXYVLP-UHFFFAOYSA-N 1 2 223.276 0.875 20 0 BCADLO Cc1[nH]c(C(=O)NCc2nncn2C(C)C)c[nH+]1 ZINC000264877633 386278583 /nfs/dbraw/zinc/27/85/83/386278583.db2.gz TVHIDJQXEJWKSN-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000276533339 386340549 /nfs/dbraw/zinc/34/05/49/386340549.db2.gz FEAQGGKJSRAXDR-XNPJLODASA-N 1 2 237.259 0.491 20 0 BCADLO O=C(CCOCC(F)F)NCCn1cc[nH+]c1 ZINC000276573263 386347244 /nfs/dbraw/zinc/34/72/44/386347244.db2.gz MFEIIXDTZJUYOL-UHFFFAOYSA-N 1 2 247.245 0.671 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276594672 386349831 /nfs/dbraw/zinc/34/98/31/386349831.db2.gz NNZIMIKANKUKSM-IPFDCLDFSA-N 1 2 237.303 0.946 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000339281591 386350484 /nfs/dbraw/zinc/35/04/84/386350484.db2.gz HGBYEBIFYJTMOU-NSHDSACASA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1cc(C)n(C)n1 ZINC000339281591 386350487 /nfs/dbraw/zinc/35/04/87/386350487.db2.gz HGBYEBIFYJTMOU-NSHDSACASA-N 1 2 209.293 0.949 20 0 BCADLO C[C@H](CCO)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000265625851 386352336 /nfs/dbraw/zinc/35/23/36/386352336.db2.gz YYBCUFGYZSHNIA-SECBINFHSA-N 1 2 236.319 0.647 20 0 BCADLO C[C@H](CCO)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000265625851 386352343 /nfs/dbraw/zinc/35/23/43/386352343.db2.gz YYBCUFGYZSHNIA-SECBINFHSA-N 1 2 236.319 0.647 20 0 BCADLO Cc1nonc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000265629496 386354956 /nfs/dbraw/zinc/35/49/56/386354956.db2.gz RKXOEDMITBVQPK-UHFFFAOYSA-N 1 2 235.247 0.384 20 0 BCADLO COC(=O)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276612442 386355299 /nfs/dbraw/zinc/35/52/99/386355299.db2.gz PSTFOPXKPQYRFG-NSCUHMNNSA-N 1 2 235.243 0.245 20 0 BCADLO CO[C@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298516631 386356139 /nfs/dbraw/zinc/35/61/39/386356139.db2.gz BOBMXMJUCHPEMB-DTWKUNHWSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298516631 386356145 /nfs/dbraw/zinc/35/61/45/386356145.db2.gz BOBMXMJUCHPEMB-DTWKUNHWSA-N 1 2 240.307 0.716 20 0 BCADLO CSC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265655587 386358096 /nfs/dbraw/zinc/35/80/96/386358096.db2.gz YKMFUHTVAOAJMO-QMMMGPOBSA-N 1 2 242.348 0.971 20 0 BCADLO C[NH+](C)[C@H](C(=O)Nc1nn[nH]n1)c1ccccc1 ZINC000265680299 386359239 /nfs/dbraw/zinc/35/92/39/386359239.db2.gz SYHUVUBQWRBLHI-VIFPVBQESA-N 1 2 246.274 0.441 20 0 BCADLO C[NH+](C)[C@@H](C(=O)Nc1nn[nH]n1)c1ccccc1 ZINC000265680294 386360257 /nfs/dbraw/zinc/36/02/57/386360257.db2.gz SYHUVUBQWRBLHI-SECBINFHSA-N 1 2 246.274 0.441 20 0 BCADLO O=[S@@]1CC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000334447521 386360466 /nfs/dbraw/zinc/36/04/66/386360466.db2.gz QHFROWQNHUTYLX-ZKANADHPSA-N 1 2 235.312 0.918 20 0 BCADLO CC[N@H+](CCOC)Cc1nnnn1C(C)(C)C ZINC000347360328 386366220 /nfs/dbraw/zinc/36/62/20/386366220.db2.gz HUKRJTNFSVEQBI-UHFFFAOYSA-N 1 2 241.339 0.896 20 0 BCADLO CC[N@@H+](CCOC)Cc1nnnn1C(C)(C)C ZINC000347360328 386366223 /nfs/dbraw/zinc/36/62/23/386366223.db2.gz HUKRJTNFSVEQBI-UHFFFAOYSA-N 1 2 241.339 0.896 20 0 BCADLO Cn1ncc(C[N@H+](C)CCn2cccn2)n1 ZINC000290054279 386387114 /nfs/dbraw/zinc/38/71/14/386387114.db2.gz RZSBBWSGVYENPW-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCn2cccn2)n1 ZINC000290054279 386387119 /nfs/dbraw/zinc/38/71/19/386387119.db2.gz RZSBBWSGVYENPW-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO C[C@H](C(=O)N(C)C)N1CCc2[nH+]c[nH]c2C1 ZINC000647933703 386367245 /nfs/dbraw/zinc/36/72/45/386367245.db2.gz YTXSXCATCQSUDB-MRVPVSSYSA-N 1 2 222.292 0.245 20 0 BCADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C)n1 ZINC000347365479 386367391 /nfs/dbraw/zinc/36/73/91/386367391.db2.gz NRENSNWVDKVIGX-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)C)n1 ZINC000347365479 386367395 /nfs/dbraw/zinc/36/73/95/386367395.db2.gz NRENSNWVDKVIGX-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265787222 386369878 /nfs/dbraw/zinc/36/98/78/386369878.db2.gz SSBBFXBJSMUPEF-UWVGGRQHSA-N 1 2 225.292 0.670 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1ccon1 ZINC000265788967 386371304 /nfs/dbraw/zinc/37/13/04/386371304.db2.gz MAKRBWSZDAIYAH-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1ccon1 ZINC000265788967 386371310 /nfs/dbraw/zinc/37/13/10/386371310.db2.gz MAKRBWSZDAIYAH-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO CN(Cc1ccon1)C(=O)CCn1cc[nH+]c1 ZINC000265812836 386372081 /nfs/dbraw/zinc/37/20/81/386372081.db2.gz MFOKPNYBUHHHAF-UHFFFAOYSA-N 1 2 234.259 0.920 20 0 BCADLO CN(C)c1ccc(CNC(=O)c2cn[nH]c2)c[nH+]1 ZINC000298722210 386375892 /nfs/dbraw/zinc/37/58/92/386375892.db2.gz DPYGLZNSGFFMBT-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO Cn1cc(CC[N@@H+]2CCNC(=O)C2(C)C)cn1 ZINC000265834941 386375835 /nfs/dbraw/zinc/37/58/35/386375835.db2.gz LVKSUAMKYKNOQL-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO Cn1cc(CC[N@H+]2CCNC(=O)C2(C)C)cn1 ZINC000265834941 386375839 /nfs/dbraw/zinc/37/58/39/386375839.db2.gz LVKSUAMKYKNOQL-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO CCCC[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000336696279 386377633 /nfs/dbraw/zinc/37/76/33/386377633.db2.gz KBYNDRNRRXOBQM-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO CCCC[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000336696279 386377640 /nfs/dbraw/zinc/37/76/40/386377640.db2.gz KBYNDRNRRXOBQM-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000347384467 386377627 /nfs/dbraw/zinc/37/76/27/386377627.db2.gz PCKKTJVDBNENNV-LLVKDONJSA-N 1 2 214.284 0.947 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000347384467 386377631 /nfs/dbraw/zinc/37/76/31/386377631.db2.gz PCKKTJVDBNENNV-LLVKDONJSA-N 1 2 214.284 0.947 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347399113 386384712 /nfs/dbraw/zinc/38/47/12/386384712.db2.gz YXSHCUCMVGKEHM-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@](C)(F)C1 ZINC000347399113 386384722 /nfs/dbraw/zinc/38/47/22/386384722.db2.gz YXSHCUCMVGKEHM-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cnccc1C ZINC000339364967 386385574 /nfs/dbraw/zinc/38/55/74/386385574.db2.gz VSOCTWPLBAVNSL-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cnccc1C ZINC000339364967 386385577 /nfs/dbraw/zinc/38/55/77/386385577.db2.gz VSOCTWPLBAVNSL-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C)n[nH]c1C ZINC000276440167 386325779 /nfs/dbraw/zinc/32/57/79/386325779.db2.gz IPUQCKBOUHUXFN-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C)n[nH]c1C ZINC000276440167 386325782 /nfs/dbraw/zinc/32/57/82/386325782.db2.gz IPUQCKBOUHUXFN-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CCNS(=O)(=O)NCCc1ccc(C)c[nH+]1 ZINC000416509474 386332217 /nfs/dbraw/zinc/33/22/17/386332217.db2.gz USULVPINHBSQFT-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO COC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000265390710 386332522 /nfs/dbraw/zinc/33/25/22/386332522.db2.gz HQNHTTLKKLHMKI-SECBINFHSA-N 1 2 239.275 0.646 20 0 BCADLO CCN(CC(N)=O)c1nc(C)[nH+]c2c1CCCC2 ZINC000276885964 386386161 /nfs/dbraw/zinc/38/61/61/386386161.db2.gz KTCDJCTUNUIBSQ-UHFFFAOYSA-N 1 2 248.330 0.975 20 0 BCADLO COC[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000277489431 386439614 /nfs/dbraw/zinc/43/96/14/386439614.db2.gz RBSGRMXXFRVEAI-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO COC[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000277489431 386439617 /nfs/dbraw/zinc/43/96/17/386439617.db2.gz RBSGRMXXFRVEAI-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000290468550 386440552 /nfs/dbraw/zinc/44/05/52/386440552.db2.gz PZRLWHHPKBGMSK-GFCCVEGCSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000290468550 386440559 /nfs/dbraw/zinc/44/05/59/386440559.db2.gz PZRLWHHPKBGMSK-GFCCVEGCSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000290468550 386440560 /nfs/dbraw/zinc/44/05/60/386440560.db2.gz PZRLWHHPKBGMSK-GFCCVEGCSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000290468550 386440567 /nfs/dbraw/zinc/44/05/67/386440567.db2.gz PZRLWHHPKBGMSK-GFCCVEGCSA-N 1 2 248.330 0.961 20 0 BCADLO C[N@H+](CCCN1CCOCC1)Cc1ccon1 ZINC000336716552 386444397 /nfs/dbraw/zinc/44/43/97/386444397.db2.gz VQGIMQMRZDCHRZ-UHFFFAOYSA-N 1 2 239.319 0.829 20 0 BCADLO C[N@@H+](CCCN1CCOCC1)Cc1ccon1 ZINC000336716552 386444400 /nfs/dbraw/zinc/44/44/00/386444400.db2.gz VQGIMQMRZDCHRZ-UHFFFAOYSA-N 1 2 239.319 0.829 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347545169 386448216 /nfs/dbraw/zinc/44/82/16/386448216.db2.gz UGIYXVBPCKWOLK-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347545169 386448219 /nfs/dbraw/zinc/44/82/19/386448219.db2.gz UGIYXVBPCKWOLK-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccon1 ZINC000299400732 386448916 /nfs/dbraw/zinc/44/89/16/386448916.db2.gz FXTCFYAMAPFAGD-MRVPVSSYSA-N 1 2 220.232 0.690 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cccn2C)c[nH+]1 ZINC000266555102 386450316 /nfs/dbraw/zinc/45/03/16/386450316.db2.gz TXBDIQSSZTXHSG-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000182055667 386391546 /nfs/dbraw/zinc/39/15/46/386391546.db2.gz WYZVPGMNLFVDKH-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000182055667 386391550 /nfs/dbraw/zinc/39/15/50/386391550.db2.gz WYZVPGMNLFVDKH-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO O=C1NCCCC[C@H]1N1CCn2cc[nH+]c2C1 ZINC000336719547 386451367 /nfs/dbraw/zinc/45/13/67/386451367.db2.gz XUVLJXIDUZDDGP-SNVBAGLBSA-N 1 2 234.303 0.367 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCC=CO1 ZINC000290169216 386400393 /nfs/dbraw/zinc/40/03/93/386400393.db2.gz MQSSVXKKMIXRQO-SNVBAGLBSA-N 1 2 222.292 0.940 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCC=CO1 ZINC000290169216 386400397 /nfs/dbraw/zinc/40/03/97/386400397.db2.gz MQSSVXKKMIXRQO-SNVBAGLBSA-N 1 2 222.292 0.940 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COCC1CC1 ZINC000299031936 386404518 /nfs/dbraw/zinc/40/45/18/386404518.db2.gz NDEQYSXEVKSYER-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO COCCc1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336702181 386405422 /nfs/dbraw/zinc/40/54/22/386405422.db2.gz MCBSPWLMTKCCTL-SECBINFHSA-N 1 2 241.291 0.479 20 0 BCADLO COCCc1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336702181 386405427 /nfs/dbraw/zinc/40/54/27/386405427.db2.gz MCBSPWLMTKCCTL-SECBINFHSA-N 1 2 241.291 0.479 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1noc(COC)n1 ZINC000347449317 386407988 /nfs/dbraw/zinc/40/79/88/386407988.db2.gz FCEKNUYNOXRQAR-SECBINFHSA-N 1 2 243.307 0.809 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1noc(COC)n1 ZINC000347449317 386407992 /nfs/dbraw/zinc/40/79/92/386407992.db2.gz FCEKNUYNOXRQAR-SECBINFHSA-N 1 2 243.307 0.809 20 0 BCADLO CN(CC(N)=O)c1[nH+]c2ccccc2n1C ZINC000277147076 386411492 /nfs/dbraw/zinc/41/14/92/386411492.db2.gz CTSDRUDYACSFQD-UHFFFAOYSA-N 1 2 218.260 0.495 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000336707218 386412413 /nfs/dbraw/zinc/41/24/13/386412413.db2.gz OLOOYWCJVQPELW-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000336707218 386412417 /nfs/dbraw/zinc/41/24/17/386412417.db2.gz OLOOYWCJVQPELW-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347461660 386416356 /nfs/dbraw/zinc/41/63/56/386416356.db2.gz YDTCMFKJELOYOP-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347461660 386416361 /nfs/dbraw/zinc/41/63/61/386416361.db2.gz YDTCMFKJELOYOP-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000408368949 386424145 /nfs/dbraw/zinc/42/41/45/386424145.db2.gz POMPYXZGAZNSMO-SNVBAGLBSA-N 1 2 249.314 0.872 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@H+](C)C[C@H]2C)c(O)c1 ZINC000408368949 386424150 /nfs/dbraw/zinc/42/41/50/386424150.db2.gz POMPYXZGAZNSMO-SNVBAGLBSA-N 1 2 249.314 0.872 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000299271875 386433767 /nfs/dbraw/zinc/43/37/67/386433767.db2.gz MECKEWWRLSCRQM-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000299271875 386433773 /nfs/dbraw/zinc/43/37/73/386433773.db2.gz MECKEWWRLSCRQM-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1Cc1n[nH]c(C2CC2)n1 ZINC000347478687 386435091 /nfs/dbraw/zinc/43/50/91/386435091.db2.gz KOZXFADRGKYVIP-VIFPVBQESA-N 1 2 235.335 0.818 20 0 BCADLO COC[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000277472403 386435519 /nfs/dbraw/zinc/43/55/19/386435519.db2.gz PVLUVJFVPFMIHT-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccoc1C ZINC000414440304 386467195 /nfs/dbraw/zinc/46/71/95/386467195.db2.gz UPJHOJGOEJKPCU-WDEREUQCSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccoc1C ZINC000414440304 386467201 /nfs/dbraw/zinc/46/72/01/386467201.db2.gz UPJHOJGOEJKPCU-WDEREUQCSA-N 1 2 239.271 0.696 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1nccs1 ZINC000187172946 386481701 /nfs/dbraw/zinc/48/17/01/386481701.db2.gz VBWUGGZUJRRSAA-SSDOTTSWSA-N 1 2 249.361 0.343 20 0 BCADLO Cc1n[nH]cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267020526 386484926 /nfs/dbraw/zinc/48/49/26/386484926.db2.gz CQNSFPWWYZKBHJ-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO C[C@H](C(=O)N[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000340642594 386486005 /nfs/dbraw/zinc/48/60/05/386486005.db2.gz LEEYFEARDWRYKI-BBBLOLIVSA-N 1 2 212.293 0.232 20 0 BCADLO O=C(C1CC(=O)C1)N1CCn2c[nH+]cc2C1 ZINC000290921711 386488848 /nfs/dbraw/zinc/48/88/48/386488848.db2.gz KONZYIAXYLBUSC-UHFFFAOYSA-N 1 2 219.244 0.204 20 0 BCADLO O=C([C@@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290937220 386489632 /nfs/dbraw/zinc/48/96/32/386489632.db2.gz NRBHIVIYADYBDO-JTQLQIEISA-N 1 2 221.260 0.404 20 0 BCADLO O=C([C@@H]1CCCOC1)N1CCn2c[nH+]cc2C1 ZINC000290941094 386490485 /nfs/dbraw/zinc/49/04/85/386490485.db2.gz OLANWFVOLBGGEV-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO Cc1[nH]c(C(=O)NCCn2cccc2)c[nH+]1 ZINC000267064492 386491384 /nfs/dbraw/zinc/49/13/84/386491384.db2.gz AIXVQXRZNYPAKF-UHFFFAOYSA-N 1 2 218.260 0.950 20 0 BCADLO Cc1c(C(=O)N2CCn3c[nH+]cc3C2)cnn1C ZINC000290969622 386494425 /nfs/dbraw/zinc/49/44/25/386494425.db2.gz SUCYQNBIFZFGIX-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO C[C@@H](CNC(=O)c1cocn1)Cn1cc[nH+]c1 ZINC000267116423 386498314 /nfs/dbraw/zinc/49/83/14/386498314.db2.gz NQFKUMBOQJBKFC-VIFPVBQESA-N 1 2 234.259 0.937 20 0 BCADLO Cn1ncc2c1nc(N[C@H]1CCCOC1)[nH+]c2N ZINC000278169281 386498652 /nfs/dbraw/zinc/49/86/52/386498652.db2.gz CMNRJLHXBISZIE-ZETCQYMHSA-N 1 2 248.290 0.536 20 0 BCADLO CN(C)c1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000519604796 386502786 /nfs/dbraw/zinc/50/27/86/386502786.db2.gz IJWRJPNWQWBEQL-HTQZYQBOSA-N 1 2 240.307 0.385 20 0 BCADLO Cc1ccc(Cn2cnn(C)c2=O)c(C)[nH+]1 ZINC000336343196 386503070 /nfs/dbraw/zinc/50/30/70/386503070.db2.gz OYDXBSHUWUUAIA-UHFFFAOYSA-N 1 2 218.260 0.642 20 0 BCADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267161087 386503265 /nfs/dbraw/zinc/50/32/65/386503265.db2.gz GLJVYLUHNWYRCE-YUMQZZPRSA-N 1 2 237.259 0.143 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267161085 386504307 /nfs/dbraw/zinc/50/43/07/386504307.db2.gz GLJVYLUHNWYRCE-SFYZADRCSA-N 1 2 237.259 0.143 20 0 BCADLO COCC[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267164442 386504688 /nfs/dbraw/zinc/50/46/88/386504688.db2.gz ZKMUGWKDYWVEJU-LLVKDONJSA-N 1 2 241.291 0.235 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(O)CCCC2)c[nH+]1 ZINC000267209194 386511416 /nfs/dbraw/zinc/51/14/16/386511416.db2.gz RTYTYEJFUMQFRV-UHFFFAOYSA-N 1 2 223.276 0.753 20 0 BCADLO C[C@@H](CO)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000135455992 386515580 /nfs/dbraw/zinc/51/55/80/386515580.db2.gz LTDNLHXJODSIDJ-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1(O)CCCC1 ZINC000267258163 386518261 /nfs/dbraw/zinc/51/82/61/386518261.db2.gz SWQMASZMPNLPEB-UHFFFAOYSA-N 1 2 223.276 0.639 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC000267275037 386521572 /nfs/dbraw/zinc/52/15/72/386521572.db2.gz AZOFHOSYBKROLW-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO C[C@H](O)CCCNc1[nH+]cnc2c1cnn2C ZINC000227931084 386522752 /nfs/dbraw/zinc/52/27/52/386522752.db2.gz DRQVNZUEJUCDOB-QMMMGPOBSA-N 1 2 235.291 0.936 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000408372013 386527506 /nfs/dbraw/zinc/52/75/06/386527506.db2.gz AOGIUTQMNQDMPK-SECBINFHSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000408372013 386527511 /nfs/dbraw/zinc/52/75/11/386527511.db2.gz AOGIUTQMNQDMPK-SECBINFHSA-N 1 2 224.308 0.885 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336724183 386458358 /nfs/dbraw/zinc/45/83/58/386458358.db2.gz JCZWEQGMVGGJNL-SECBINFHSA-N 1 2 239.323 0.600 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336724183 386458362 /nfs/dbraw/zinc/45/83/62/386458362.db2.gz JCZWEQGMVGGJNL-SECBINFHSA-N 1 2 239.323 0.600 20 0 BCADLO CN(CCCCCO)c1[nH+]cnc2c1cnn2C ZINC000227109153 386461160 /nfs/dbraw/zinc/46/11/60/386461160.db2.gz WQPROZCKUJTHDQ-UHFFFAOYSA-N 1 2 249.318 0.962 20 0 BCADLO O=C(C1=COCCO1)N1CCn2c[nH+]cc2C1 ZINC000290643938 386461761 /nfs/dbraw/zinc/46/17/61/386461761.db2.gz ADQGYCWRYSEPRG-UHFFFAOYSA-N 1 2 235.243 0.114 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000227982063 386528381 /nfs/dbraw/zinc/52/83/81/386528381.db2.gz MWWMNCXGOITWEJ-MWLCHTKSSA-N 1 2 225.292 0.348 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000051887327 386574919 /nfs/dbraw/zinc/57/49/19/386574919.db2.gz CTJIVKQZABDGCQ-MRVPVSSYSA-N 1 2 223.276 0.761 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000051887327 386574926 /nfs/dbraw/zinc/57/49/26/386574926.db2.gz CTJIVKQZABDGCQ-MRVPVSSYSA-N 1 2 223.276 0.761 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000408424943 386575002 /nfs/dbraw/zinc/57/50/02/386575002.db2.gz YQEZORBGWCUZTO-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000408424943 386575006 /nfs/dbraw/zinc/57/50/06/386575006.db2.gz YQEZORBGWCUZTO-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408424937 386576138 /nfs/dbraw/zinc/57/61/38/386576138.db2.gz YQBGSHNQIFHAOX-BDAKNGLRSA-N 1 2 238.328 0.487 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408424937 386576146 /nfs/dbraw/zinc/57/61/46/386576146.db2.gz YQBGSHNQIFHAOX-BDAKNGLRSA-N 1 2 238.328 0.487 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC[C@H](O)CC2)c[nH+]1 ZINC000244180933 386579392 /nfs/dbraw/zinc/57/93/92/386579392.db2.gz VJBOOWHJHHJATC-KYZUINATSA-N 1 2 223.276 0.751 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c[nH+]1 ZINC000267755228 386581712 /nfs/dbraw/zinc/58/17/12/386581712.db2.gz CRSWVNOPZHCQIJ-MRVPVSSYSA-N 1 2 248.286 0.211 20 0 BCADLO CC[C@@]1(C)C[N@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000408430407 386582858 /nfs/dbraw/zinc/58/28/58/386582858.db2.gz SXOFEIBGECLMSV-NSHDSACASA-N 1 2 240.307 0.109 20 0 BCADLO CC[C@@]1(C)C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000408430407 386582864 /nfs/dbraw/zinc/58/28/64/386582864.db2.gz SXOFEIBGECLMSV-NSHDSACASA-N 1 2 240.307 0.109 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2n[nH]c3ccccc32)C1 ZINC000648050455 386585458 /nfs/dbraw/zinc/58/54/58/386585458.db2.gz ILNLPJGXPHDNSJ-UHFFFAOYSA-N 1 2 244.298 0.870 20 0 BCADLO COC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000267834915 386588813 /nfs/dbraw/zinc/58/88/13/386588813.db2.gz LKEYALFFZDTPAX-SECBINFHSA-N 1 2 237.259 0.400 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291385215 386538218 /nfs/dbraw/zinc/53/82/18/386538218.db2.gz AZADPWBBZZVANA-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291385215 386538224 /nfs/dbraw/zinc/53/82/24/386538224.db2.gz AZADPWBBZZVANA-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CC(=O)N1CCC1 ZINC000329023848 386596868 /nfs/dbraw/zinc/59/68/68/386596868.db2.gz IWQWAUHVIIHBOF-JTQLQIEISA-N 1 2 239.319 0.660 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC(=O)N1CCC1 ZINC000329023848 386596877 /nfs/dbraw/zinc/59/68/77/386596877.db2.gz IWQWAUHVIIHBOF-JTQLQIEISA-N 1 2 239.319 0.660 20 0 BCADLO CO[C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104597824 386596936 /nfs/dbraw/zinc/59/69/36/386596936.db2.gz ZMKXPFWJPNLBBP-OUAUKWLOSA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@@H](CO)[NH2+][C@H](C)c1cc(C)on1 ZINC000336733445 386543570 /nfs/dbraw/zinc/54/35/70/386543570.db2.gz MJYDFVXYKGOYQU-RKDXNWHRSA-N 1 2 214.265 0.641 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408410748 386549247 /nfs/dbraw/zinc/54/92/47/386549247.db2.gz YBUNERYMTDFSPB-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408410748 386549256 /nfs/dbraw/zinc/54/92/56/386549256.db2.gz YBUNERYMTDFSPB-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@@H]([NH2+]CCOCC(F)F)c1ncn(C)n1 ZINC000336756083 386552933 /nfs/dbraw/zinc/55/29/33/386552933.db2.gz YIFIUGDNGBKVDO-SSDOTTSWSA-N 1 2 234.250 0.747 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000267585371 386556236 /nfs/dbraw/zinc/55/62/36/386556236.db2.gz MGULAPPNTDCQPW-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000267585371 386556242 /nfs/dbraw/zinc/55/62/42/386556242.db2.gz MGULAPPNTDCQPW-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2CO)[nH]1 ZINC000408372452 386559169 /nfs/dbraw/zinc/55/91/69/386559169.db2.gz CBMVHSVRNWASHU-SECBINFHSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CO)[nH]1 ZINC000408372452 386559175 /nfs/dbraw/zinc/55/91/75/386559175.db2.gz CBMVHSVRNWASHU-SECBINFHSA-N 1 2 224.308 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)CC(C)C ZINC000278649193 386561926 /nfs/dbraw/zinc/56/19/26/386561926.db2.gz GOSNJLFAMIQALW-JTQLQIEISA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](CO)CC(C)C ZINC000278649193 386561932 /nfs/dbraw/zinc/56/19/32/386561932.db2.gz GOSNJLFAMIQALW-JTQLQIEISA-N 1 2 239.319 0.784 20 0 BCADLO CO[C@@](C)(C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000291648591 386564563 /nfs/dbraw/zinc/56/45/63/386564563.db2.gz IARUYFBTLXMXQS-LLVKDONJSA-N 1 2 223.276 0.841 20 0 BCADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(OC)OC ZINC000278671136 386564760 /nfs/dbraw/zinc/56/47/60/386564760.db2.gz PXGGTMGSBPGTBB-QMMMGPOBSA-N 1 2 241.291 0.845 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000267646410 386566065 /nfs/dbraw/zinc/56/60/65/386566065.db2.gz JWGCUOFNSVBGMM-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000267646410 386566072 /nfs/dbraw/zinc/56/60/72/386566072.db2.gz JWGCUOFNSVBGMM-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)on1 ZINC000267651551 386569686 /nfs/dbraw/zinc/56/96/86/386569686.db2.gz LEDATKNKJNLCRA-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)on1 ZINC000267651551 386569688 /nfs/dbraw/zinc/56/96/88/386569688.db2.gz LEDATKNKJNLCRA-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CO1 ZINC000408423179 386570827 /nfs/dbraw/zinc/57/08/27/386570827.db2.gz WVBHQWVFMXBUBN-JGVFFNPUSA-N 1 2 222.244 0.573 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000408424483 386573439 /nfs/dbraw/zinc/57/34/39/386573439.db2.gz VCIPDVBOMQZAOD-VIFPVBQESA-N 1 2 228.271 0.204 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000408424483 386573443 /nfs/dbraw/zinc/57/34/43/386573443.db2.gz VCIPDVBOMQZAOD-VIFPVBQESA-N 1 2 228.271 0.204 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2nnn(C)n2)CCCO1 ZINC000328804156 386620614 /nfs/dbraw/zinc/62/06/14/386620614.db2.gz KHJPFZNZJGPBAH-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2nnn(C)n2)CCCO1 ZINC000328804156 386620620 /nfs/dbraw/zinc/62/06/20/386620620.db2.gz KHJPFZNZJGPBAH-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCN1CCOC[C@@H]1C ZINC000337137618 386623507 /nfs/dbraw/zinc/62/35/07/386623507.db2.gz OHMIQQKMUBZGIE-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO O=C1C[N@H+](CCN2CCc3ccccc32)CCN1 ZINC000292138602 386625337 /nfs/dbraw/zinc/62/53/37/386625337.db2.gz HURHWDADUGCQRM-UHFFFAOYSA-N 1 2 245.326 0.481 20 0 BCADLO O=C1C[N@@H+](CCN2CCc3ccccc32)CCN1 ZINC000292138602 386625344 /nfs/dbraw/zinc/62/53/44/386625344.db2.gz HURHWDADUGCQRM-UHFFFAOYSA-N 1 2 245.326 0.481 20 0 BCADLO C[C@@H](O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000644931372 386629273 /nfs/dbraw/zinc/62/92/73/386629273.db2.gz RIUPUIQFDOHTLD-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H](O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000644931372 386629277 /nfs/dbraw/zinc/62/92/77/386629277.db2.gz RIUPUIQFDOHTLD-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000644931111 386629407 /nfs/dbraw/zinc/62/94/07/386629407.db2.gz PVYQYRKNDGZDDE-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@H](O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000644931111 386629408 /nfs/dbraw/zinc/62/94/08/386629408.db2.gz PVYQYRKNDGZDDE-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1cn[nH]c1 ZINC000339786884 386632165 /nfs/dbraw/zinc/63/21/65/386632165.db2.gz ZXEMTQLTAASHHF-MRVPVSSYSA-N 1 2 248.290 0.704 20 0 BCADLO O=C1C[N@H+](Cc2ccno2)[C@H]2CCCC[C@@H]2N1 ZINC000268282853 386635062 /nfs/dbraw/zinc/63/50/62/386635062.db2.gz PTIFXIIWSIRBQT-QWRGUYRKSA-N 1 2 235.287 0.918 20 0 BCADLO O=C1C[N@@H+](Cc2ccno2)[C@H]2CCCC[C@@H]2N1 ZINC000268282853 386635068 /nfs/dbraw/zinc/63/50/68/386635068.db2.gz PTIFXIIWSIRBQT-QWRGUYRKSA-N 1 2 235.287 0.918 20 0 BCADLO O=C1C[N@H+](Cc2ccno2)[C@H]2CCCC[C@H]2N1 ZINC000268282848 386635604 /nfs/dbraw/zinc/63/56/04/386635604.db2.gz PTIFXIIWSIRBQT-MNOVXSKESA-N 1 2 235.287 0.918 20 0 BCADLO O=C1C[N@@H+](Cc2ccno2)[C@H]2CCCC[C@H]2N1 ZINC000268282848 386635607 /nfs/dbraw/zinc/63/56/07/386635607.db2.gz PTIFXIIWSIRBQT-MNOVXSKESA-N 1 2 235.287 0.918 20 0 BCADLO O=C1CN(CCCn2cc[nH+]c2)CN1CC1CC1 ZINC000279129804 386637320 /nfs/dbraw/zinc/63/73/20/386637320.db2.gz VWJNKKOFCAPRMO-UHFFFAOYSA-N 1 2 248.330 0.785 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000644950686 386639264 /nfs/dbraw/zinc/63/92/64/386639264.db2.gz GVXSXIJYXILXPK-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000644950686 386639268 /nfs/dbraw/zinc/63/92/68/386639268.db2.gz GVXSXIJYXILXPK-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO O=C1CN(CCCn2cc[nH+]c2)CN1C1CC1 ZINC000279169721 386644017 /nfs/dbraw/zinc/64/40/17/386644017.db2.gz QPHIHONYSJSOKR-UHFFFAOYSA-N 1 2 234.303 0.537 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328894773 386644094 /nfs/dbraw/zinc/64/40/94/386644094.db2.gz VVBUKZQRBWMFDY-NXEZZACHSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328894773 386644099 /nfs/dbraw/zinc/64/40/99/386644099.db2.gz VVBUKZQRBWMFDY-NXEZZACHSA-N 1 2 239.319 0.656 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CC23CC3)c1 ZINC000644962424 386645940 /nfs/dbraw/zinc/64/59/40/386645940.db2.gz STKINYLFMGERDI-JTQLQIEISA-N 1 2 234.303 0.814 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2ccon2)CCC1=O ZINC000647949333 386648707 /nfs/dbraw/zinc/64/87/07/386648707.db2.gz LOKAUMWTOWZMMG-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2ccon2)CCC1=O ZINC000647949333 386648713 /nfs/dbraw/zinc/64/87/13/386648713.db2.gz LOKAUMWTOWZMMG-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO O=C([C@H]1CCC(=O)C1)N1CC[NH+](C2CC2)CC1 ZINC000335513819 386648893 /nfs/dbraw/zinc/64/88/93/386648893.db2.gz JLNVBNDXXJSWPI-JTQLQIEISA-N 1 2 236.315 0.662 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1NC(=O)[C@H]2CSCCN12 ZINC000328933786 386650033 /nfs/dbraw/zinc/65/00/33/386650033.db2.gz BYLNATCKQBOVDX-RKDXNWHRSA-N 1 2 238.316 0.806 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)ncn1 ZINC000292351057 386652799 /nfs/dbraw/zinc/65/27/99/386652799.db2.gz DSXWMEACKVMOGF-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)ncn1 ZINC000292351057 386652809 /nfs/dbraw/zinc/65/28/09/386652809.db2.gz DSXWMEACKVMOGF-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO Cc1noc(C(C)(C)[NH2+]CC(=O)N2CCC2)n1 ZINC000328905869 386652896 /nfs/dbraw/zinc/65/28/96/386652896.db2.gz KITCQKBEPRGDNE-UHFFFAOYSA-N 1 2 238.291 0.435 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N(C2CC2)C1 ZINC000279235215 386653806 /nfs/dbraw/zinc/65/38/06/386653806.db2.gz ZCAOWIBDAQCKDI-UHFFFAOYSA-N 1 2 220.276 0.184 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000267940717 386600633 /nfs/dbraw/zinc/60/06/33/386600633.db2.gz PWFFDOMGNNENTH-GXSJLCMTSA-N 1 2 237.303 0.999 20 0 BCADLO O=C1[C@H]2CCCN2C(=O)N1CCn1cc[nH+]c1 ZINC000328611998 386601291 /nfs/dbraw/zinc/60/12/91/386601291.db2.gz OZBCBXZOOZMINE-SECBINFHSA-N 1 2 234.259 0.310 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCCO1 ZINC000268001079 386607367 /nfs/dbraw/zinc/60/73/67/386607367.db2.gz WBFDKWVFFINEDY-NSHDSACASA-N 1 2 223.276 0.605 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)CC(=O)N(C)C ZINC000337121906 386611947 /nfs/dbraw/zinc/61/19/47/386611947.db2.gz AGLDPMOTOMISEF-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)CC(=O)N(C)C ZINC000337121906 386611951 /nfs/dbraw/zinc/61/19/51/386611951.db2.gz AGLDPMOTOMISEF-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493909 386613024 /nfs/dbraw/zinc/61/30/24/386613024.db2.gz ZUMNSFHQXFZKLO-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493866 386613939 /nfs/dbraw/zinc/61/39/39/386613939.db2.gz YZFZNTQAFNLJGG-ZYHUDNBSSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1CCC[C@H]1O)n1cc[nH+]c1 ZINC000520241701 386616763 /nfs/dbraw/zinc/61/67/63/386616763.db2.gz ICBLFIIQNQAABS-GMTAPVOTSA-N 1 2 237.303 0.864 20 0 BCADLO Cn1nnnc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000525833944 386617504 /nfs/dbraw/zinc/61/75/04/386617504.db2.gz ABDBJQGMMUKZPB-GFCCVEGCSA-N 1 2 244.302 0.846 20 0 BCADLO CCc1nnc2n1CC[N@@H+](C[C@H](O)C(C)C)C2 ZINC000644992853 386660270 /nfs/dbraw/zinc/66/02/70/386660270.db2.gz PAFHDTOMTBEJNO-JTQLQIEISA-N 1 2 238.335 0.673 20 0 BCADLO CCc1nnc2n1CC[N@H+](C[C@H](O)C(C)C)C2 ZINC000644992853 386660275 /nfs/dbraw/zinc/66/02/75/386660275.db2.gz PAFHDTOMTBEJNO-JTQLQIEISA-N 1 2 238.335 0.673 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000337217791 386660739 /nfs/dbraw/zinc/66/07/39/386660739.db2.gz ALSQAFGTYMZTSI-SSDOTTSWSA-N 1 2 234.250 0.356 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000337217791 386660744 /nfs/dbraw/zinc/66/07/44/386660744.db2.gz ALSQAFGTYMZTSI-SSDOTTSWSA-N 1 2 234.250 0.356 20 0 BCADLO c1cn(CCNc2ncnc3nc[nH]c32)c[nH+]1 ZINC000041065139 386662275 /nfs/dbraw/zinc/66/22/75/386662275.db2.gz LBVPHSYKNVLRRS-UHFFFAOYSA-N 1 2 229.247 0.662 20 0 BCADLO O=C1NC2(CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000329390621 386662581 /nfs/dbraw/zinc/66/25/81/386662581.db2.gz UZYOEISNRPJZTN-UHFFFAOYSA-N 1 2 220.232 0.172 20 0 BCADLO O=C1CNC(=O)N1Cc1cn2c([nH+]1)CCCC2 ZINC000329392464 386662705 /nfs/dbraw/zinc/66/27/05/386662705.db2.gz VTRCTWMEOGLMTI-UHFFFAOYSA-N 1 2 234.259 0.476 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000337207034 386666795 /nfs/dbraw/zinc/66/67/95/386666795.db2.gz NRTQNUPYFPECII-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000337207034 386666800 /nfs/dbraw/zinc/66/68/00/386666800.db2.gz NRTQNUPYFPECII-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)C1CC1 ZINC000329419649 386667698 /nfs/dbraw/zinc/66/76/98/386667698.db2.gz HASPDZHGYBURLU-UHFFFAOYSA-N 1 2 215.278 0.002 20 0 BCADLO CCC(=O)CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000520426567 386671422 /nfs/dbraw/zinc/67/14/22/386671422.db2.gz LWWMWTINOMSNRX-SECBINFHSA-N 1 2 212.293 0.422 20 0 BCADLO Cc1[nH]c(C(=O)NCc2snnc2C)c[nH+]1 ZINC000292432264 386672162 /nfs/dbraw/zinc/67/21/62/386672162.db2.gz QWQFBNXPWRVCOM-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO COc1n[nH]c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n1 ZINC000520426220 386672468 /nfs/dbraw/zinc/67/24/68/386672468.db2.gz BMLJYNQRFAKRCC-SSDOTTSWSA-N 1 2 239.279 0.092 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335528672 386674919 /nfs/dbraw/zinc/67/49/19/386674919.db2.gz HQNYYDKWHKBZDM-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccon3)C[C@H]12 ZINC000329463196 386677513 /nfs/dbraw/zinc/67/75/13/386677513.db2.gz UGLSBNUWUOUGCE-MRVPVSSYSA-N 1 2 236.231 0.251 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccon3)C[C@H]12 ZINC000329463196 386677517 /nfs/dbraw/zinc/67/75/17/386677517.db2.gz UGLSBNUWUOUGCE-MRVPVSSYSA-N 1 2 236.231 0.251 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)NCC(C)C)n1 ZINC000352833057 386678319 /nfs/dbraw/zinc/67/83/19/386678319.db2.gz WQNSEBPLRDLBHQ-QMMMGPOBSA-N 1 2 240.307 0.801 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N(C)C ZINC000337251503 386678609 /nfs/dbraw/zinc/67/86/09/386678609.db2.gz RBVDKMLKCNPQES-SECBINFHSA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N(C)C ZINC000337251503 386678614 /nfs/dbraw/zinc/67/86/14/386678614.db2.gz RBVDKMLKCNPQES-SECBINFHSA-N 1 2 230.308 0.348 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005588 386681814 /nfs/dbraw/zinc/68/18/14/386681814.db2.gz RGLDGEFMTUXRCV-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005588 386681819 /nfs/dbraw/zinc/68/18/19/386681819.db2.gz RGLDGEFMTUXRCV-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO c1cn(Cc2nc(-c3ccon3)no2)c[nH+]1 ZINC000520344777 386656573 /nfs/dbraw/zinc/65/65/73/386656573.db2.gz SUKUWKCNHIISMB-UHFFFAOYSA-N 1 2 217.188 0.969 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NOCC1CC1 ZINC000292382775 386657903 /nfs/dbraw/zinc/65/79/03/386657903.db2.gz URKMIPPSLLIXOI-SECBINFHSA-N 1 2 238.291 0.912 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC[C@H]1C ZINC000337231515 386683767 /nfs/dbraw/zinc/68/37/67/386683767.db2.gz IYEAFFVWMKPEDA-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@H+]1CCOC[C@H]1C ZINC000337231515 386683768 /nfs/dbraw/zinc/68/37/68/386683768.db2.gz IYEAFFVWMKPEDA-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCOC[C@H]1C ZINC000337231515 386683769 /nfs/dbraw/zinc/68/37/69/386683769.db2.gz IYEAFFVWMKPEDA-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCOC[C@H]1C ZINC000337231515 386683771 /nfs/dbraw/zinc/68/37/71/386683771.db2.gz IYEAFFVWMKPEDA-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000050103758 386684328 /nfs/dbraw/zinc/68/43/28/386684328.db2.gz SZXWGAMOVNGHDC-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000050103758 386684333 /nfs/dbraw/zinc/68/43/33/386684333.db2.gz SZXWGAMOVNGHDC-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@@H]1NC(=O)N(C[C@@H]2CCCn3cc[nH+]c32)C1=O ZINC000329487966 386684847 /nfs/dbraw/zinc/68/48/47/386684847.db2.gz UGUIFUMFCBFWKY-IUCAKERBSA-N 1 2 248.286 0.905 20 0 BCADLO COC(=O)CC[N@H+](Cc1nnc(C)[nH]1)C(C)C ZINC000292547312 386688968 /nfs/dbraw/zinc/68/89/68/386688968.db2.gz QNFYAYLFZWIZCL-UHFFFAOYSA-N 1 2 240.307 0.887 20 0 BCADLO COC(=O)CC[N@@H+](Cc1nnc(C)[nH]1)C(C)C ZINC000292547312 386688978 /nfs/dbraw/zinc/68/89/78/386688978.db2.gz QNFYAYLFZWIZCL-UHFFFAOYSA-N 1 2 240.307 0.887 20 0 BCADLO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)C(=O)OC ZINC000192857127 386689322 /nfs/dbraw/zinc/68/93/22/386689322.db2.gz RROHCFYIMVTZRR-GHMZBOCLSA-N 1 2 245.319 0.723 20 0 BCADLO CN(C)c1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000337263999 386694248 /nfs/dbraw/zinc/69/42/48/386694248.db2.gz XKQPBESPGRUKDX-QMMMGPOBSA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000337263999 386694253 /nfs/dbraw/zinc/69/42/53/386694253.db2.gz XKQPBESPGRUKDX-QMMMGPOBSA-N 1 2 240.307 0.338 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000292599095 386695870 /nfs/dbraw/zinc/69/58/70/386695870.db2.gz QGUREPBSWHZYQD-ZJUUUORDSA-N 1 2 239.319 0.892 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H]2COCCO2)n1 ZINC000520603787 386705789 /nfs/dbraw/zinc/70/57/89/386705789.db2.gz AUWODJMYYHAOJR-SCZZXKLOSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000520603787 386705795 /nfs/dbraw/zinc/70/57/95/386705795.db2.gz AUWODJMYYHAOJR-SCZZXKLOSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ncn1 ZINC000292665513 386707411 /nfs/dbraw/zinc/70/74/11/386707411.db2.gz BHHFJDFOUXSUQC-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)ncn1 ZINC000292665513 386707420 /nfs/dbraw/zinc/70/74/20/386707420.db2.gz BHHFJDFOUXSUQC-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000520609234 386708490 /nfs/dbraw/zinc/70/84/90/386708490.db2.gz GLWUOEHGHHQURI-SNVBAGLBSA-N 1 2 220.276 0.148 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330479560 386730942 /nfs/dbraw/zinc/73/09/42/386730942.db2.gz QCLZJNYGTJKFKK-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330479560 386730944 /nfs/dbraw/zinc/73/09/44/386730944.db2.gz QCLZJNYGTJKFKK-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000279641778 386713755 /nfs/dbraw/zinc/71/37/55/386713755.db2.gz JJWVFWVWNSNTIJ-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000279641778 386713764 /nfs/dbraw/zinc/71/37/64/386713764.db2.gz JJWVFWVWNSNTIJ-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C(N)=O)C1 ZINC000520668739 386715577 /nfs/dbraw/zinc/71/55/77/386715577.db2.gz CPLSZWWWDVOSPA-VIFPVBQESA-N 1 2 220.276 0.405 20 0 BCADLO O=C1NC[C@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000526970974 386715837 /nfs/dbraw/zinc/71/58/37/386715837.db2.gz DHNINIAEVRNOFQ-QMMMGPOBSA-N 1 2 213.256 0.198 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000526970974 386715839 /nfs/dbraw/zinc/71/58/39/386715839.db2.gz DHNINIAEVRNOFQ-QMMMGPOBSA-N 1 2 213.256 0.198 20 0 BCADLO Cc1c(C[N@@H+](C)CC(=O)NC(C)C)cnn1C ZINC000268906064 386716301 /nfs/dbraw/zinc/71/63/01/386716301.db2.gz MDIZJRLNRVEVIM-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1c(C[N@H+](C)CC(=O)NC(C)C)cnn1C ZINC000268906064 386716306 /nfs/dbraw/zinc/71/63/06/386716306.db2.gz MDIZJRLNRVEVIM-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191927451 386716451 /nfs/dbraw/zinc/71/64/51/386716451.db2.gz CZDKDWDKCQPTQH-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191927451 386716456 /nfs/dbraw/zinc/71/64/56/386716456.db2.gz CZDKDWDKCQPTQH-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO c1nc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)co1 ZINC000191934385 386720830 /nfs/dbraw/zinc/72/08/30/386720830.db2.gz QIJGRWANDCPXJM-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO c1nc(C[N@H+]2CC[C@H](N3CCOCC3)C2)co1 ZINC000191934385 386720840 /nfs/dbraw/zinc/72/08/40/386720840.db2.gz QIJGRWANDCPXJM-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO c1nc(CN2CC[C@H]([NH+]3CCOCC3)C2)co1 ZINC000191934385 386720847 /nfs/dbraw/zinc/72/08/47/386720847.db2.gz QIJGRWANDCPXJM-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO COc1ncncc1C[N@@H+]1CCC[C@H](O)C1 ZINC000647998853 386725911 /nfs/dbraw/zinc/72/59/11/386725911.db2.gz MOEXAGJHNVYOST-JTQLQIEISA-N 1 2 223.276 0.442 20 0 BCADLO COc1ncncc1C[N@H+]1CCC[C@H](O)C1 ZINC000647998853 386725914 /nfs/dbraw/zinc/72/59/14/386725914.db2.gz MOEXAGJHNVYOST-JTQLQIEISA-N 1 2 223.276 0.442 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCSC1 ZINC000279717780 386728643 /nfs/dbraw/zinc/72/86/43/386728643.db2.gz BCSUBFWXALJVPG-SECBINFHSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCSC1 ZINC000279717780 386728648 /nfs/dbraw/zinc/72/86/48/386728648.db2.gz BCSUBFWXALJVPG-SECBINFHSA-N 1 2 225.317 0.964 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000527004540 386728767 /nfs/dbraw/zinc/72/87/67/386728767.db2.gz BYGQNTZDHYDREH-LLVKDONJSA-N 1 2 249.314 0.336 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn2c(n1)CCC2 ZINC000335545621 386729755 /nfs/dbraw/zinc/72/97/55/386729755.db2.gz NJKLTUFNYPOMPX-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn2c(n1)CCC2 ZINC000335545621 386729761 /nfs/dbraw/zinc/72/97/61/386729761.db2.gz NJKLTUFNYPOMPX-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO C[C@@H](C(=O)NCC(N)=O)[NH+]1CCSCC1 ZINC000330518891 386749070 /nfs/dbraw/zinc/74/90/70/386749070.db2.gz OZPFGUHNWCXSAN-ZETCQYMHSA-N 1 2 231.321 0.075 20 0 BCADLO Cc1[nH]c(C(=O)NCCSCCCO)c[nH+]1 ZINC000269097928 386752060 /nfs/dbraw/zinc/75/20/60/386752060.db2.gz JZOOYNIFLRGXEV-UHFFFAOYSA-N 1 2 243.332 0.564 20 0 BCADLO CCc1nc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)no1 ZINC000190905665 386753573 /nfs/dbraw/zinc/75/35/73/386753573.db2.gz NJNUOKLZXLKEOC-DTWKUNHWSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1nc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)no1 ZINC000190905665 386753580 /nfs/dbraw/zinc/75/35/80/386753580.db2.gz NJNUOKLZXLKEOC-DTWKUNHWSA-N 1 2 243.307 0.196 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c[nH+]1 ZINC000269171196 386758491 /nfs/dbraw/zinc/75/84/91/386758491.db2.gz ROSGSJLUADHSJA-QMMMGPOBSA-N 1 2 238.291 0.348 20 0 BCADLO CSC[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330548537 386764903 /nfs/dbraw/zinc/76/49/03/386764903.db2.gz DASFJZUQRLGERG-PRJMDXOYSA-N 1 2 236.312 0.658 20 0 BCADLO CSC[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330548537 386764914 /nfs/dbraw/zinc/76/49/14/386764914.db2.gz DASFJZUQRLGERG-PRJMDXOYSA-N 1 2 236.312 0.658 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccon1 ZINC000336761510 386765896 /nfs/dbraw/zinc/76/58/96/386765896.db2.gz NEPDXQSVAQLUOT-SSDOTTSWSA-N 1 2 209.249 0.604 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C(C)C)n1C ZINC000303263191 386766501 /nfs/dbraw/zinc/76/65/01/386766501.db2.gz QQQYXDORYRKJPE-UHFFFAOYSA-N 1 2 226.324 0.753 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C(C)C)n1C ZINC000303263191 386766508 /nfs/dbraw/zinc/76/65/08/386766508.db2.gz QQQYXDORYRKJPE-UHFFFAOYSA-N 1 2 226.324 0.753 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH+]cn2C)c(O)c1 ZINC000426485812 386767110 /nfs/dbraw/zinc/76/71/10/386767110.db2.gz KBEVUZXQUNXWQI-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330447946 386741000 /nfs/dbraw/zinc/74/10/00/386741000.db2.gz IEJMOBGQPZYLNT-UHFFFAOYSA-N 1 2 225.292 0.528 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000335538467 386742364 /nfs/dbraw/zinc/74/23/64/386742364.db2.gz KJEXLFRPXZYUQD-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000335538467 386742372 /nfs/dbraw/zinc/74/23/72/386742372.db2.gz KJEXLFRPXZYUQD-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCN1CCOCC1 ZINC000340702912 386744541 /nfs/dbraw/zinc/74/45/41/386744541.db2.gz ZDAADPKMXBDKFM-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCN1CCOCC1 ZINC000340702912 386744548 /nfs/dbraw/zinc/74/45/48/386744548.db2.gz ZDAADPKMXBDKFM-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C(C)(C)N(C)CC[NH+]1CCOCC1 ZINC000340702912 386744554 /nfs/dbraw/zinc/74/45/54/386744554.db2.gz ZDAADPKMXBDKFM-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO CO[C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280231684 386791105 /nfs/dbraw/zinc/79/11/05/386791105.db2.gz JTGMCQXCYBCTMC-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO CC(C)c1noc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000408445094 386793854 /nfs/dbraw/zinc/79/38/54/386793854.db2.gz XNZINRNIZGIHLV-CIUDSAMLSA-N 1 2 241.291 0.291 20 0 BCADLO CC(C)c1noc([C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000408445096 386794373 /nfs/dbraw/zinc/79/43/73/386794373.db2.gz XNZINRNIZGIHLV-DJLDLDEBSA-N 1 2 241.291 0.291 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C1CC1)C(=O)OC ZINC000336667092 386779650 /nfs/dbraw/zinc/77/96/50/386779650.db2.gz VYFJVYCWPFYKKV-CBAPKCEASA-N 1 2 201.266 0.563 20 0 BCADLO CCC[C@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000269321316 386780076 /nfs/dbraw/zinc/78/00/76/386780076.db2.gz SEMUERVUGZGXNV-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C1CC1)C(=O)OC ZINC000336667093 386780384 /nfs/dbraw/zinc/78/03/84/386780384.db2.gz VYFJVYCWPFYKKV-IONNQARKSA-N 1 2 201.266 0.563 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)C(C)C)c[nH+]1 ZINC000269339634 386781522 /nfs/dbraw/zinc/78/15/22/386781522.db2.gz KEQAKVPLTVLSSC-VIFPVBQESA-N 1 2 211.265 0.465 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)C(C)C)c[nH+]1 ZINC000269339633 386783725 /nfs/dbraw/zinc/78/37/25/386783725.db2.gz KEQAKVPLTVLSSC-SECBINFHSA-N 1 2 211.265 0.465 20 0 BCADLO CCCn1cc(C[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000330609604 386788520 /nfs/dbraw/zinc/78/85/20/386788520.db2.gz MHGMHIQGTUCJEJ-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCCn1cc(C[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000330609604 386788525 /nfs/dbraw/zinc/78/85/25/386788525.db2.gz MHGMHIQGTUCJEJ-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncccn1 ZINC000301066112 386816248 /nfs/dbraw/zinc/81/62/48/386816248.db2.gz JMVCCOCPEWBDOE-UHFFFAOYSA-N 1 2 203.249 0.847 20 0 BCADLO COC(=O)CN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000280473562 386817738 /nfs/dbraw/zinc/81/77/38/386817738.db2.gz NFGHFMQAVYEBTE-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)CN(Cc1c[nH]c[nH+]1)C1CC1 ZINC000280473562 386817740 /nfs/dbraw/zinc/81/77/40/386817740.db2.gz NFGHFMQAVYEBTE-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000645499305 386819849 /nfs/dbraw/zinc/81/98/49/386819849.db2.gz RQYKNUVYBRUEPG-FJXKBIBVSA-N 1 2 225.317 0.915 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330618740 386820142 /nfs/dbraw/zinc/82/01/42/386820142.db2.gz HSLIUYWGAWWCFN-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330618740 386820150 /nfs/dbraw/zinc/82/01/50/386820150.db2.gz HSLIUYWGAWWCFN-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248795550 386797179 /nfs/dbraw/zinc/79/71/79/386797179.db2.gz YRWNGBBRKYWXMN-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248795550 386797187 /nfs/dbraw/zinc/79/71/87/386797187.db2.gz YRWNGBBRKYWXMN-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1noc(C)n1 ZINC000336670626 386806908 /nfs/dbraw/zinc/80/69/08/386806908.db2.gz FVJSOCITIVGXPZ-MRVPVSSYSA-N 1 2 213.281 0.971 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1noc(C)n1 ZINC000336670626 386806912 /nfs/dbraw/zinc/80/69/12/386806912.db2.gz FVJSOCITIVGXPZ-MRVPVSSYSA-N 1 2 213.281 0.971 20 0 BCADLO Cn1nnc(C[N@H+](CCCO)CC(C)(C)C)n1 ZINC000192980265 386807141 /nfs/dbraw/zinc/80/71/41/386807141.db2.gz LZTNNPNEUKQZQC-UHFFFAOYSA-N 1 2 241.339 0.441 20 0 BCADLO Cn1nnc(C[N@@H+](CCCO)CC(C)(C)C)n1 ZINC000192980265 386807143 /nfs/dbraw/zinc/80/71/43/386807143.db2.gz LZTNNPNEUKQZQC-UHFFFAOYSA-N 1 2 241.339 0.441 20 0 BCADLO CC[N@H+](CCOCC1CC1)CC(=O)OC ZINC000357583439 386808797 /nfs/dbraw/zinc/80/87/97/386808797.db2.gz QNBNEJOGLNDOOQ-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CC[N@@H+](CCOCC1CC1)CC(=O)OC ZINC000357583439 386808807 /nfs/dbraw/zinc/80/88/07/386808807.db2.gz QNBNEJOGLNDOOQ-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000330639876 386808907 /nfs/dbraw/zinc/80/89/07/386808907.db2.gz DXERNGROSOGGKL-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000330639876 386808914 /nfs/dbraw/zinc/80/89/14/386808914.db2.gz DXERNGROSOGGKL-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nnc(C(C)(C)C)[nH]1 ZINC000293372038 386809526 /nfs/dbraw/zinc/80/95/26/386809526.db2.gz PCMPXYASDPQZCA-UHFFFAOYSA-N 1 2 239.323 0.409 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nnc(C(C)(C)C)[nH]1 ZINC000293372038 386809529 /nfs/dbraw/zinc/80/95/29/386809529.db2.gz PCMPXYASDPQZCA-UHFFFAOYSA-N 1 2 239.323 0.409 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nn1 ZINC000329880911 386810261 /nfs/dbraw/zinc/81/02/61/386810261.db2.gz AFTFSZQGGXAKHX-GDPRMGEGSA-N 1 2 249.318 0.951 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nn1 ZINC000329880911 386810270 /nfs/dbraw/zinc/81/02/70/386810270.db2.gz AFTFSZQGGXAKHX-GDPRMGEGSA-N 1 2 249.318 0.951 20 0 BCADLO C[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280696282 386838872 /nfs/dbraw/zinc/83/88/72/386838872.db2.gz ADRNBPQNKVYQGQ-QMMMGPOBSA-N 1 2 234.259 0.837 20 0 BCADLO CCN(CC)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280732441 386841130 /nfs/dbraw/zinc/84/11/30/386841130.db2.gz ITJHUESZWBUGDW-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO Cc1ccnc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000349530925 386853952 /nfs/dbraw/zinc/85/39/52/386853952.db2.gz WYVKGSQQZFEPDR-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CC(C)(C(=O)NC[C@@H](O)C1CC1)c1c[nH]c[nH+]1 ZINC000331415966 386851388 /nfs/dbraw/zinc/85/13/88/386851388.db2.gz CGLPDHQCEZETBW-SECBINFHSA-N 1 2 237.303 0.574 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000331752157 386892481 /nfs/dbraw/zinc/89/24/81/386892481.db2.gz GFIJWYHDAJDSHO-UEJVZZJDSA-N 1 2 241.291 0.732 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000331752157 386892483 /nfs/dbraw/zinc/89/24/83/386892483.db2.gz GFIJWYHDAJDSHO-UEJVZZJDSA-N 1 2 241.291 0.732 20 0 BCADLO CN(CC1(CO)CC1)C(=O)CCn1cc[nH+]c1 ZINC000331492198 386860682 /nfs/dbraw/zinc/86/06/82/386860682.db2.gz PPRGLSPNSYETAS-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)C1(CO)CC1 ZINC000331514445 386864971 /nfs/dbraw/zinc/86/49/71/386864971.db2.gz QCEDQKKEOKYZNO-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)C1(CO)CC1 ZINC000331514445 386864974 /nfs/dbraw/zinc/86/49/74/386864974.db2.gz QCEDQKKEOKYZNO-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@@](O)(CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000331528349 386865228 /nfs/dbraw/zinc/86/52/28/386865228.db2.gz VOSLGVCSOJWFFC-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331546041 386867154 /nfs/dbraw/zinc/86/71/54/386867154.db2.gz VCHRMBDJGOKGDA-UHFFFAOYSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331546041 386867162 /nfs/dbraw/zinc/86/71/62/386867162.db2.gz VCHRMBDJGOKGDA-UHFFFAOYSA-N 1 2 226.280 0.092 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000341250287 386868522 /nfs/dbraw/zinc/86/85/22/386868522.db2.gz NXRVBRYXYWANOL-DTWKUNHWSA-N 1 2 240.307 0.379 20 0 BCADLO O=C(C1CCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352884933 386872909 /nfs/dbraw/zinc/87/29/09/386872909.db2.gz BUIBXUWTFQYLAR-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO Cc1cnc(C[NH2+]CCc2nnc(C)[nH]2)n1C ZINC000341279402 386876989 /nfs/dbraw/zinc/87/69/89/386876989.db2.gz JKDQZMBMERGUHN-UHFFFAOYSA-N 1 2 234.307 0.487 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+]C12CCC(O)CC2 ZINC000334837941 386880837 /nfs/dbraw/zinc/88/08/37/386880837.db2.gz ZGIIHAPAKPGMHQ-UHFFFAOYSA-N 1 2 226.320 0.848 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)[C@@]1(CO)CCOC1 ZINC000330808002 386894873 /nfs/dbraw/zinc/89/48/73/386894873.db2.gz MZWZQMSQQUYOSB-GFCCVEGCSA-N 1 2 245.319 0.411 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@]1(CO)CCOC1 ZINC000330808002 386894875 /nfs/dbraw/zinc/89/48/75/386894875.db2.gz MZWZQMSQQUYOSB-GFCCVEGCSA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC[C@@H](C)F)CCOC1 ZINC000336744879 386883887 /nfs/dbraw/zinc/88/38/87/386883887.db2.gz AAJSPOOKNMHOSS-PSASIEDQSA-N 1 2 219.256 0.656 20 0 BCADLO Cc1occc1C[N@H+]1CCN(C)C(=O)C1 ZINC000334841125 386886844 /nfs/dbraw/zinc/88/68/44/386886844.db2.gz MXEPDODDUHTNKX-UHFFFAOYSA-N 1 2 208.261 0.862 20 0 BCADLO Cc1occc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000334841125 386886848 /nfs/dbraw/zinc/88/68/48/386886848.db2.gz MXEPDODDUHTNKX-UHFFFAOYSA-N 1 2 208.261 0.862 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000330737459 386887930 /nfs/dbraw/zinc/88/79/30/386887930.db2.gz NYLCBTDARFZMNZ-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000330737459 386887935 /nfs/dbraw/zinc/88/79/35/386887935.db2.gz NYLCBTDARFZMNZ-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO COCCc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331743379 386888139 /nfs/dbraw/zinc/88/81/39/386888139.db2.gz BPBAXEGEIAAOEM-UHFFFAOYSA-N 1 2 241.291 0.214 20 0 BCADLO COCCc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331743379 386888144 /nfs/dbraw/zinc/88/81/44/386888144.db2.gz BPBAXEGEIAAOEM-UHFFFAOYSA-N 1 2 241.291 0.214 20 0 BCADLO COC[C@H]([NH2+]CC[C@H]1CCOC1)C(=O)OC ZINC000336762077 386915805 /nfs/dbraw/zinc/91/58/05/386915805.db2.gz KZMLUSSQSCVOKY-UWVGGRQHSA-N 1 2 231.292 0.191 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000330901717 386918385 /nfs/dbraw/zinc/91/83/85/386918385.db2.gz RTLZSEQIQZDOSJ-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccon1 ZINC000330827276 386898151 /nfs/dbraw/zinc/89/81/51/386898151.db2.gz SAWXYJXYUWKURY-KOLCDFICSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccon1 ZINC000330827276 386898155 /nfs/dbraw/zinc/89/81/55/386898155.db2.gz SAWXYJXYUWKURY-KOLCDFICSA-N 1 2 226.276 0.646 20 0 BCADLO Cc1ccc(C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)o1 ZINC000330825013 386899599 /nfs/dbraw/zinc/89/95/99/386899599.db2.gz IGHARNADZCGGBM-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO Cc1ccc(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)o1 ZINC000330825013 386899603 /nfs/dbraw/zinc/89/96/03/386899603.db2.gz IGHARNADZCGGBM-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO CC(C)n1nnnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000330824514 386899765 /nfs/dbraw/zinc/89/97/65/386899765.db2.gz FJXHYVKNPHQNSI-SECBINFHSA-N 1 2 249.322 0.838 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC(C)(C)C1 ZINC000334851526 386900329 /nfs/dbraw/zinc/90/03/29/386900329.db2.gz TVDKTZFZRUSXBS-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO Cn1nccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000349650768 386901216 /nfs/dbraw/zinc/90/12/16/386901216.db2.gz BYMMPFIRKYYNFQ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1nccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000349650768 386901222 /nfs/dbraw/zinc/90/12/22/386901222.db2.gz BYMMPFIRKYYNFQ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331778658 386901614 /nfs/dbraw/zinc/90/16/14/386901614.db2.gz NGMBYEGDNQKARD-RDDDGLTNSA-N 1 2 240.307 0.804 20 0 BCADLO CO[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000330789269 386902907 /nfs/dbraw/zinc/90/29/07/386902907.db2.gz ZHRRFWQCHMCYMN-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CO[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000330789269 386902909 /nfs/dbraw/zinc/90/29/09/386902909.db2.gz ZHRRFWQCHMCYMN-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)[nH]2)C[C@H](C)[N@H+]1C ZINC000293923414 386902938 /nfs/dbraw/zinc/90/29/38/386902938.db2.gz HETVCDPDCFIRJO-AOOOYVTPSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)[nH]2)C[C@H](C)[N@@H+]1C ZINC000293923414 386902941 /nfs/dbraw/zinc/90/29/41/386902941.db2.gz HETVCDPDCFIRJO-AOOOYVTPSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cnns1)[C@@H](C)CO ZINC000330874766 386909125 /nfs/dbraw/zinc/90/91/25/386909125.db2.gz VXQPTDSYPDHXIG-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cnns1)[C@@H](C)CO ZINC000330874766 386909128 /nfs/dbraw/zinc/90/91/28/386909128.db2.gz VXQPTDSYPDHXIG-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCc2ncccc2C1 ZINC000367850713 386913128 /nfs/dbraw/zinc/91/31/28/386913128.db2.gz RUVSZPOAPLURLJ-LLVKDONJSA-N 1 2 217.272 0.328 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCc2ncccc2C1 ZINC000367850713 386913133 /nfs/dbraw/zinc/91/31/33/386913133.db2.gz RUVSZPOAPLURLJ-LLVKDONJSA-N 1 2 217.272 0.328 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)CC(F)(F)F ZINC000330939374 386926130 /nfs/dbraw/zinc/92/61/30/386926130.db2.gz BSQQATDCCMZQCM-LURJTMIESA-N 1 2 238.213 0.550 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)CC(F)(F)F ZINC000330939374 386926132 /nfs/dbraw/zinc/92/61/32/386926132.db2.gz BSQQATDCCMZQCM-LURJTMIESA-N 1 2 238.213 0.550 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)cnn1 ZINC000330949983 386927912 /nfs/dbraw/zinc/92/79/12/386927912.db2.gz OJPADWLHXFFCST-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO CC[C@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330944932 386928602 /nfs/dbraw/zinc/92/86/02/386928602.db2.gz FUZPNJJTBVDMPS-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341604048 386931448 /nfs/dbraw/zinc/93/14/48/386931448.db2.gz JPGHKEOGAGRZPW-KXUCPTDWSA-N 1 2 245.298 0.069 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341604048 386931452 /nfs/dbraw/zinc/93/14/52/386931452.db2.gz JPGHKEOGAGRZPW-KXUCPTDWSA-N 1 2 245.298 0.069 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC[S@](=O)[C@H](C)C2)c1 ZINC000335834027 386934768 /nfs/dbraw/zinc/93/47/68/386934768.db2.gz IZINAFAMRYSNAP-BZNIZROVSA-N 1 2 241.360 0.644 20 0 BCADLO Cc1cnn(CC[N@H+]2CC[S@](=O)[C@H](C)C2)c1 ZINC000335834027 386934771 /nfs/dbraw/zinc/93/47/71/386934771.db2.gz IZINAFAMRYSNAP-BZNIZROVSA-N 1 2 241.360 0.644 20 0 BCADLO Cc1nc(N2CCCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000302778350 386937004 /nfs/dbraw/zinc/93/70/04/386937004.db2.gz PVRSCLJKBDRNDF-QMMMGPOBSA-N 1 2 220.276 0.500 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330974109 386938937 /nfs/dbraw/zinc/93/89/37/386938937.db2.gz SQYKPWUPIGJVON-ZETCQYMHSA-N 1 2 239.275 0.365 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000330988902 386940258 /nfs/dbraw/zinc/94/02/58/386940258.db2.gz MJIPJQPTRILGDO-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO Cn1ncc(C[N@@H+]2CCCOC(C)(C)C2)n1 ZINC000368123852 386943438 /nfs/dbraw/zinc/94/34/38/386943438.db2.gz OXEHAGQPBXRWQA-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[N@H+]2CCCOC(C)(C)C2)n1 ZINC000368123852 386943442 /nfs/dbraw/zinc/94/34/42/386943442.db2.gz OXEHAGQPBXRWQA-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000368132833 386945795 /nfs/dbraw/zinc/94/57/95/386945795.db2.gz RVAFLRZNALNYST-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1ncnn1CCF ZINC000353220973 386946111 /nfs/dbraw/zinc/94/61/11/386946111.db2.gz QJLXOMWGEARUBA-VIFPVBQESA-N 1 2 230.287 0.714 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1ncnn1CCF ZINC000353220973 386946114 /nfs/dbraw/zinc/94/61/14/386946114.db2.gz QJLXOMWGEARUBA-VIFPVBQESA-N 1 2 230.287 0.714 20 0 BCADLO CO[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000331013487 386946184 /nfs/dbraw/zinc/94/61/84/386946184.db2.gz SWVQWILRFNHWQJ-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO CC(=O)NCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000331060609 386952791 /nfs/dbraw/zinc/95/27/91/386952791.db2.gz TVSPIWWVQMCOEB-SNVBAGLBSA-N 1 2 238.291 0.359 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)no1 ZINC000518968277 386958184 /nfs/dbraw/zinc/95/81/84/386958184.db2.gz AUIIUIFMMZJUNK-MRVPVSSYSA-N 1 2 248.290 0.740 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)no1 ZINC000518968277 386958188 /nfs/dbraw/zinc/95/81/88/386958188.db2.gz AUIIUIFMMZJUNK-MRVPVSSYSA-N 1 2 248.290 0.740 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)no1 ZINC000518968278 386958213 /nfs/dbraw/zinc/95/82/13/386958213.db2.gz AUIIUIFMMZJUNK-QMMMGPOBSA-N 1 2 248.290 0.740 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)no1 ZINC000518968278 386958221 /nfs/dbraw/zinc/95/82/21/386958221.db2.gz AUIIUIFMMZJUNK-QMMMGPOBSA-N 1 2 248.290 0.740 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327772 386960242 /nfs/dbraw/zinc/96/02/42/386960242.db2.gz HBMAMWLDTKRALA-LPEHRKFASA-N 1 2 211.261 0.413 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327772 386960247 /nfs/dbraw/zinc/96/02/47/386960247.db2.gz HBMAMWLDTKRALA-LPEHRKFASA-N 1 2 211.261 0.413 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(C2CC2)CC1 ZINC000368343577 386965227 /nfs/dbraw/zinc/96/52/27/386965227.db2.gz YQTYYCVLDIIEDY-UHFFFAOYSA-N 1 2 221.308 0.832 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)cn1 ZINC000368377489 386966619 /nfs/dbraw/zinc/96/66/19/386966619.db2.gz QIGJCMVNOJCDMR-QWRGUYRKSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)cn1 ZINC000368377489 386966621 /nfs/dbraw/zinc/96/66/21/386966621.db2.gz QIGJCMVNOJCDMR-QWRGUYRKSA-N 1 2 235.287 0.558 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@](C)(O)C2)s1 ZINC000358516193 386971117 /nfs/dbraw/zinc/97/11/17/386971117.db2.gz YQNLEFHCRCCCNZ-VIFPVBQESA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000358516193 386971120 /nfs/dbraw/zinc/97/11/20/386971120.db2.gz YQNLEFHCRCCCNZ-VIFPVBQESA-N 1 2 213.306 0.803 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)on1 ZINC000330332885 386972600 /nfs/dbraw/zinc/97/26/00/386972600.db2.gz YERPDWCMAKPBNQ-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N1CC(O)(C2CC2)C1 ZINC000368471031 386975403 /nfs/dbraw/zinc/97/54/03/386975403.db2.gz PBHUONDZHAUEEE-NSHDSACASA-N 1 2 240.347 0.164 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1ncccn1)C[C@H](C)O ZINC000331159818 386978305 /nfs/dbraw/zinc/97/83/05/386978305.db2.gz KEIKULMEBIUBDZ-ZJUUUORDSA-N 1 2 225.292 0.040 20 0 BCADLO C[C@H](CO)[N@H+](Cc1ncccn1)C[C@H](C)O ZINC000331159818 386978311 /nfs/dbraw/zinc/97/83/11/386978311.db2.gz KEIKULMEBIUBDZ-ZJUUUORDSA-N 1 2 225.292 0.040 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352989549 386983588 /nfs/dbraw/zinc/98/35/88/386983588.db2.gz SDYFNHRHBMLBFT-UTLUCORTSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352989549 386983593 /nfs/dbraw/zinc/98/35/93/386983593.db2.gz SDYFNHRHBMLBFT-UTLUCORTSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@H](CCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331188819 386985693 /nfs/dbraw/zinc/98/56/93/386985693.db2.gz KJKRTYAGDUIWRE-SECBINFHSA-N 1 2 239.319 0.965 20 0 BCADLO Cc1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)no1 ZINC000331193519 386986618 /nfs/dbraw/zinc/98/66/18/386986618.db2.gz XYUGHAXIJZQXQI-PWSUYJOCSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)no1 ZINC000331193519 386986623 /nfs/dbraw/zinc/98/66/23/386986623.db2.gz XYUGHAXIJZQXQI-PWSUYJOCSA-N 1 2 240.303 0.955 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000353000272 386987570 /nfs/dbraw/zinc/98/75/70/386987570.db2.gz LECRXJREMVRRAG-UWVGGRQHSA-N 1 2 229.320 0.888 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000353000272 386987576 /nfs/dbraw/zinc/98/75/76/386987576.db2.gz LECRXJREMVRRAG-UWVGGRQHSA-N 1 2 229.320 0.888 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017054 386990139 /nfs/dbraw/zinc/99/01/39/386990139.db2.gz BMYLWNNKLSCCSW-SSDOTTSWSA-N 1 2 247.249 0.271 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017054 386990142 /nfs/dbraw/zinc/99/01/42/386990142.db2.gz BMYLWNNKLSCCSW-SSDOTTSWSA-N 1 2 247.249 0.271 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000358626443 386990424 /nfs/dbraw/zinc/99/04/24/386990424.db2.gz IFGWAXAMUDBXBN-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](O)C1 ZINC000332604393 386992326 /nfs/dbraw/zinc/99/23/26/386992326.db2.gz BMPDPEKXGIIHFW-JTQLQIEISA-N 1 2 224.308 0.563 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](O)C1 ZINC000332604393 386992332 /nfs/dbraw/zinc/99/23/32/386992332.db2.gz BMPDPEKXGIIHFW-JTQLQIEISA-N 1 2 224.308 0.563 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000334916869 386992474 /nfs/dbraw/zinc/99/24/74/386992474.db2.gz BJTCQHCBNAGQHA-WDEREUQCSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000334916869 386992477 /nfs/dbraw/zinc/99/24/77/386992477.db2.gz BJTCQHCBNAGQHA-WDEREUQCSA-N 1 2 241.335 0.368 20 0 BCADLO CC[C@@H](NC(=O)CC(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000331266896 386992898 /nfs/dbraw/zinc/99/28/98/386992898.db2.gz ICVIDYJZFBNVPR-MRVPVSSYSA-N 1 2 238.291 0.455 20 0 BCADLO CO[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000368626490 386993746 /nfs/dbraw/zinc/99/37/46/386993746.db2.gz DPGSXAODSYVONJ-SECBINFHSA-N 1 2 223.276 0.650 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332623836 386995184 /nfs/dbraw/zinc/99/51/84/386995184.db2.gz GTROKRQWTGVLFO-KOLCDFICSA-N 1 2 238.335 0.952 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332623836 386995190 /nfs/dbraw/zinc/99/51/90/386995190.db2.gz GTROKRQWTGVLFO-KOLCDFICSA-N 1 2 238.335 0.952 20 0 BCADLO COC[C@H]([NH2+]Cc1ncccn1)[C@H]1CCCO1 ZINC000331254043 386997813 /nfs/dbraw/zinc/99/78/13/386997813.db2.gz WKWSRDABXTWXCR-WDEREUQCSA-N 1 2 237.303 0.760 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000332647407 386998215 /nfs/dbraw/zinc/99/82/15/386998215.db2.gz BYNGDTUCBCZPJB-SNVBAGLBSA-N 1 2 243.332 0.039 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000332647407 386998220 /nfs/dbraw/zinc/99/82/20/386998220.db2.gz BYNGDTUCBCZPJB-SNVBAGLBSA-N 1 2 243.332 0.039 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000332678221 387000550 /nfs/dbraw/zinc/00/05/50/387000550.db2.gz SGKVNGVHSATEJL-DJLDLDEBSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000332678221 387000555 /nfs/dbraw/zinc/00/05/55/387000555.db2.gz SGKVNGVHSATEJL-DJLDLDEBSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000332678223 387000748 /nfs/dbraw/zinc/00/07/48/387000748.db2.gz SGKVNGVHSATEJL-HLTSFMKQSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000332678223 387000753 /nfs/dbraw/zinc/00/07/53/387000753.db2.gz SGKVNGVHSATEJL-HLTSFMKQSA-N 1 2 241.291 0.732 20 0 BCADLO O=C(CC1(O)CCCC1)NCc1c[nH+]c[nH]1 ZINC000331309363 387001035 /nfs/dbraw/zinc/00/10/35/387001035.db2.gz UDHLMISZCRPTGF-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO O=C(CC1(O)CCCC1)NCc1c[nH]c[nH+]1 ZINC000331309363 387001040 /nfs/dbraw/zinc/00/10/40/387001040.db2.gz UDHLMISZCRPTGF-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000332678225 387001879 /nfs/dbraw/zinc/00/18/79/387001879.db2.gz SGKVNGVHSATEJL-IWSPIJDZSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000332678225 387001881 /nfs/dbraw/zinc/00/18/81/387001881.db2.gz SGKVNGVHSATEJL-IWSPIJDZSA-N 1 2 241.291 0.732 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1cnccn1 ZINC000647966351 387003420 /nfs/dbraw/zinc/00/34/20/387003420.db2.gz OQDNKOLPWDVBOX-UHFFFAOYSA-N 1 2 218.264 0.269 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1cnccn1 ZINC000647966351 387003428 /nfs/dbraw/zinc/00/34/28/387003428.db2.gz OQDNKOLPWDVBOX-UHFFFAOYSA-N 1 2 218.264 0.269 20 0 BCADLO CCOc1nnc(C[N@@H+]2CC[C@H](CO)C2)s1 ZINC000332708565 387003816 /nfs/dbraw/zinc/00/38/16/387003816.db2.gz OLJXKFXLRHNMHI-QMMMGPOBSA-N 1 2 243.332 0.751 20 0 BCADLO CCOc1nnc(C[N@H+]2CC[C@H](CO)C2)s1 ZINC000332708565 387003822 /nfs/dbraw/zinc/00/38/22/387003822.db2.gz OLJXKFXLRHNMHI-QMMMGPOBSA-N 1 2 243.332 0.751 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ncnn1C ZINC000332718907 387003981 /nfs/dbraw/zinc/00/39/81/387003981.db2.gz RBBDIZGIILYPBC-VHSXEESVSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ncnn1C ZINC000332718907 387003983 /nfs/dbraw/zinc/00/39/83/387003983.db2.gz RBBDIZGIILYPBC-VHSXEESVSA-N 1 2 240.307 0.051 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@H](O)C2(C)C)n1 ZINC000332715264 387004507 /nfs/dbraw/zinc/00/45/07/387004507.db2.gz PWHDUZGSIGAYNB-QMMMGPOBSA-N 1 2 240.307 0.481 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@H](O)C2(C)C)n1 ZINC000332715264 387004509 /nfs/dbraw/zinc/00/45/09/387004509.db2.gz PWHDUZGSIGAYNB-QMMMGPOBSA-N 1 2 240.307 0.481 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCOCC2(CCC2)C1 ZINC000368698231 387005798 /nfs/dbraw/zinc/00/57/98/387005798.db2.gz JZOWELQTWJPUPF-SNVBAGLBSA-N 1 2 225.288 0.804 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCOCC2(CCC2)C1 ZINC000368698231 387005804 /nfs/dbraw/zinc/00/58/04/387005804.db2.gz JZOWELQTWJPUPF-SNVBAGLBSA-N 1 2 225.288 0.804 20 0 BCADLO CC(C)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332736813 387006528 /nfs/dbraw/zinc/00/65/28/387006528.db2.gz YXSVFANMQADVSS-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO CC(C)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332736813 387006529 /nfs/dbraw/zinc/00/65/29/387006529.db2.gz YXSVFANMQADVSS-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000332740001 387006667 /nfs/dbraw/zinc/00/66/67/387006667.db2.gz YQFSSGYBGBOOBO-YUMQZZPRSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000332740001 387006669 /nfs/dbraw/zinc/00/66/69/387006669.db2.gz YQFSSGYBGBOOBO-YUMQZZPRSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000332739996 387006766 /nfs/dbraw/zinc/00/67/66/387006766.db2.gz YQFSSGYBGBOOBO-HTQZYQBOSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000332739996 387006769 /nfs/dbraw/zinc/00/67/69/387006769.db2.gz YQFSSGYBGBOOBO-HTQZYQBOSA-N 1 2 227.264 0.171 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)n2C)C1 ZINC000107848114 387036646 /nfs/dbraw/zinc/03/66/46/387036646.db2.gz ZRTPQULPJYYBQZ-SECBINFHSA-N 1 2 238.291 0.118 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000107848114 387036650 /nfs/dbraw/zinc/03/66/50/387036650.db2.gz ZRTPQULPJYYBQZ-SECBINFHSA-N 1 2 238.291 0.118 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccccn1 ZINC000070017515 387043219 /nfs/dbraw/zinc/04/32/19/387043219.db2.gz CEXLPUIZBANVFP-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccccn1 ZINC000070017515 387043224 /nfs/dbraw/zinc/04/32/24/387043224.db2.gz CEXLPUIZBANVFP-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CC2)N1CCC1 ZINC000334965980 387046661 /nfs/dbraw/zinc/04/66/61/387046661.db2.gz QTHXOQYWJOVYEL-UHFFFAOYSA-N 1 2 210.277 0.084 20 0 BCADLO O=C(C[N@H+]1CCOCC12CC2)N1CCC1 ZINC000334965980 387046664 /nfs/dbraw/zinc/04/66/64/387046664.db2.gz QTHXOQYWJOVYEL-UHFFFAOYSA-N 1 2 210.277 0.084 20 0 BCADLO CC[C@](COC)([NH2+]CCCF)C(=O)OC ZINC000459580873 387066981 /nfs/dbraw/zinc/06/69/81/387066981.db2.gz BORUOZHDUCACBT-SNVBAGLBSA-N 1 2 221.272 0.904 20 0 BCADLO CCCS(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334968854 387053535 /nfs/dbraw/zinc/05/35/35/387053535.db2.gz NXMLOVOXNPUODL-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@]12CCOC2 ZINC000359103050 387054955 /nfs/dbraw/zinc/05/49/55/387054955.db2.gz MTKDZIWYHMONHP-MFKMUULPSA-N 1 2 249.314 0.805 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)C1(F)F ZINC000359100753 387055955 /nfs/dbraw/zinc/05/59/55/387055955.db2.gz JBIXILFDNZQQPT-SFYZADRCSA-N 1 2 229.230 0.901 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)N(CC)C1 ZINC000418034476 387058126 /nfs/dbraw/zinc/05/81/26/387058126.db2.gz ONZXWJNWIADRDK-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO CCC[C@@H](O)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459561115 387058426 /nfs/dbraw/zinc/05/84/26/387058426.db2.gz QXYAJOIROGFGFC-PWSUYJOCSA-N 1 2 247.335 0.705 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000228055642 387063685 /nfs/dbraw/zinc/06/36/85/387063685.db2.gz RTRBRICREMCJOC-VXGBXAGGSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000228055642 387063688 /nfs/dbraw/zinc/06/36/88/387063688.db2.gz RTRBRICREMCJOC-VXGBXAGGSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)s1 ZINC000331297701 387009796 /nfs/dbraw/zinc/00/97/96/387009796.db2.gz UONXHBJNPPVURS-HTQZYQBOSA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)s1 ZINC000331297701 387009802 /nfs/dbraw/zinc/00/98/02/387009802.db2.gz UONXHBJNPPVURS-HTQZYQBOSA-N 1 2 245.348 0.410 20 0 BCADLO CS(=O)(=O)C1C[NH+](C[C@@H]2CCSC2)C1 ZINC000334934812 387010553 /nfs/dbraw/zinc/01/05/53/387010553.db2.gz KOYDLBGUIJQNCJ-QMMMGPOBSA-N 1 2 235.374 0.468 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368794357 387012248 /nfs/dbraw/zinc/01/22/48/387012248.db2.gz BDMMEXCHZZAICO-JGVFFNPUSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368794357 387012251 /nfs/dbraw/zinc/01/22/51/387012251.db2.gz BDMMEXCHZZAICO-JGVFFNPUSA-N 1 2 209.236 0.723 20 0 BCADLO CS(=O)(=O)N1CC[C@@H](Cn2cc[nH+]c2)C1 ZINC000334935786 387012952 /nfs/dbraw/zinc/01/29/52/387012952.db2.gz SEYNESVQKFXFHP-VIFPVBQESA-N 1 2 229.305 0.165 20 0 BCADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328684395 387016886 /nfs/dbraw/zinc/01/68/86/387016886.db2.gz WTNQKSIQTDLGTC-MUWHJKNJSA-N 1 2 212.253 0.167 20 0 BCADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328684396 387017622 /nfs/dbraw/zinc/01/76/22/387017622.db2.gz WTNQKSIQTDLGTC-RCOVLWMOSA-N 1 2 212.253 0.167 20 0 BCADLO CSCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000358809952 387017734 /nfs/dbraw/zinc/01/77/34/387017734.db2.gz VMGUSNLXOGPPEG-UHFFFAOYSA-N 1 2 228.321 0.552 20 0 BCADLO CSCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000358809952 387017737 /nfs/dbraw/zinc/01/77/37/387017737.db2.gz VMGUSNLXOGPPEG-UHFFFAOYSA-N 1 2 228.321 0.552 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1csnn1 ZINC000333095332 387018408 /nfs/dbraw/zinc/01/84/08/387018408.db2.gz UHBTXJQZIYWVBR-NKWVEPMBSA-N 1 2 226.305 0.467 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000358836415 387020518 /nfs/dbraw/zinc/02/05/18/387020518.db2.gz XOXGXCSXWNHHIN-HTRCEHHLSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000358836415 387020525 /nfs/dbraw/zinc/02/05/25/387020525.db2.gz XOXGXCSXWNHHIN-HTRCEHHLSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1cnc(C[NH+]2CC(C)(C(N)=O)C2)nc1 ZINC000519148501 387023095 /nfs/dbraw/zinc/02/30/95/387023095.db2.gz HHPKVFUFWQTBMU-UHFFFAOYSA-N 1 2 220.276 0.092 20 0 BCADLO Cn1nnc2cc(C[NH+]3CCOCC3)ccc21 ZINC000019147787 387024218 /nfs/dbraw/zinc/02/42/18/387024218.db2.gz BRYRKZSVWUZTOX-UHFFFAOYSA-N 1 2 232.287 0.801 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCCC(=O)N1 ZINC000333344374 387028230 /nfs/dbraw/zinc/02/82/30/387028230.db2.gz UGKVEUKDSCVICQ-QMMMGPOBSA-N 1 2 236.275 0.085 20 0 BCADLO CCOC(=O)c1nn(C)cc1C[N@H+](C)CCO ZINC000186155177 387073064 /nfs/dbraw/zinc/07/30/64/387073064.db2.gz CQJFCCUPUNEUIJ-UHFFFAOYSA-N 1 2 241.291 0.021 20 0 BCADLO CCOC(=O)c1nn(C)cc1C[N@@H+](C)CCO ZINC000186155177 387073080 /nfs/dbraw/zinc/07/30/80/387073080.db2.gz CQJFCCUPUNEUIJ-UHFFFAOYSA-N 1 2 241.291 0.021 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOCC2)C1(F)F ZINC000359261779 387074616 /nfs/dbraw/zinc/07/46/16/387074616.db2.gz AWHDXVVZUGLPFG-BDAKNGLRSA-N 1 2 248.273 0.336 20 0 BCADLO Cn1nc(C(=O)NCc2[nH]cc[nH+]2)cc1C1CC1 ZINC000359300081 387080606 /nfs/dbraw/zinc/08/06/06/387080606.db2.gz UIRNBRKUNLESJG-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CCn1cc[nH+]c1CN1CCNC(=O)C1(C)C ZINC000066529641 387086685 /nfs/dbraw/zinc/08/66/85/387086685.db2.gz JIUBQKXQZAEIRX-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CC[C@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418085495 387094633 /nfs/dbraw/zinc/09/46/33/387094633.db2.gz WAMAFWOBEXOQTL-QMMMGPOBSA-N 1 2 205.323 0.761 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370167252 387095192 /nfs/dbraw/zinc/09/51/92/387095192.db2.gz LVXLTYKNICVCRB-MRVPVSSYSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370167252 387095198 /nfs/dbraw/zinc/09/51/98/387095198.db2.gz LVXLTYKNICVCRB-MRVPVSSYSA-N 1 2 229.276 0.290 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000188815774 387103740 /nfs/dbraw/zinc/10/37/40/387103740.db2.gz PBEOXXALSMPNML-JTQLQIEISA-N 1 2 243.332 0.775 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000188815774 387103744 /nfs/dbraw/zinc/10/37/44/387103744.db2.gz PBEOXXALSMPNML-JTQLQIEISA-N 1 2 243.332 0.775 20 0 BCADLO O=C1CC[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H](C2CC2)N1 ZINC000370280426 387106931 /nfs/dbraw/zinc/10/69/31/387106931.db2.gz VPQSMHQSPGLWGC-ZYHUDNBSSA-N 1 2 234.303 0.557 20 0 BCADLO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ncn1 ZINC000068806772 387108431 /nfs/dbraw/zinc/10/84/31/387108431.db2.gz XOAPWZLAYSAJCK-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)ncn1 ZINC000068806772 387108433 /nfs/dbraw/zinc/10/84/33/387108433.db2.gz XOAPWZLAYSAJCK-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000127460694 387119116 /nfs/dbraw/zinc/11/91/16/387119116.db2.gz DMDPWDAVZRMGAF-ZYHUDNBSSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000127460694 387119120 /nfs/dbraw/zinc/11/91/20/387119120.db2.gz DMDPWDAVZRMGAF-ZYHUDNBSSA-N 1 2 241.287 0.660 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C(N)=O ZINC000352376250 387129713 /nfs/dbraw/zinc/12/97/13/387129713.db2.gz MEAHDPUSFXLPLB-XHNCKOQMSA-N 1 2 218.272 0.309 20 0 BCADLO C[C@H](F)CC[N@H+]1CCO[C@@H](C)[C@@H]1C(N)=O ZINC000352376250 387129718 /nfs/dbraw/zinc/12/97/18/387129718.db2.gz MEAHDPUSFXLPLB-XHNCKOQMSA-N 1 2 218.272 0.309 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000352376297 387129858 /nfs/dbraw/zinc/12/98/58/387129858.db2.gz NCSQNUQWIBCBPP-JQWIXIFHSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000352376297 387129864 /nfs/dbraw/zinc/12/98/64/387129864.db2.gz NCSQNUQWIBCBPP-JQWIXIFHSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000352376296 387129943 /nfs/dbraw/zinc/12/99/43/387129943.db2.gz NCSQNUQWIBCBPP-CMPLNLGQSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@](F)(CO)C1 ZINC000352376296 387129949 /nfs/dbraw/zinc/12/99/49/387129949.db2.gz NCSQNUQWIBCBPP-CMPLNLGQSA-N 1 2 247.310 0.980 20 0 BCADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353166584 387148199 /nfs/dbraw/zinc/14/81/99/387148199.db2.gz CUULFTOTKGIEDK-SSDOTTSWSA-N 1 2 242.291 0.395 20 0 BCADLO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353166584 387148202 /nfs/dbraw/zinc/14/82/02/387148202.db2.gz CUULFTOTKGIEDK-SSDOTTSWSA-N 1 2 242.291 0.395 20 0 BCADLO CSCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336338185 387162874 /nfs/dbraw/zinc/16/28/74/387162874.db2.gz BMUIIRUTOGBIKQ-SSDOTTSWSA-N 1 2 225.317 0.746 20 0 BCADLO CSCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336338185 387162879 /nfs/dbraw/zinc/16/28/79/387162879.db2.gz BMUIIRUTOGBIKQ-SSDOTTSWSA-N 1 2 225.317 0.746 20 0 BCADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000353296440 387172750 /nfs/dbraw/zinc/17/27/50/387172750.db2.gz BJQOLWGFXCQNGT-HTQZYQBOSA-N 1 2 213.285 0.238 20 0 BCADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000353296440 387172754 /nfs/dbraw/zinc/17/27/54/387172754.db2.gz BJQOLWGFXCQNGT-HTQZYQBOSA-N 1 2 213.285 0.238 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCc1ccnn1C ZINC000284291628 387176326 /nfs/dbraw/zinc/17/63/26/387176326.db2.gz GEKMFWVLGNQSOS-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000571817385 387178225 /nfs/dbraw/zinc/17/82/25/387178225.db2.gz GVDUOWJFNYPCJW-APPZFPTMSA-N 1 2 229.280 0.378 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000571817385 387178231 /nfs/dbraw/zinc/17/82/31/387178231.db2.gz GVDUOWJFNYPCJW-APPZFPTMSA-N 1 2 229.280 0.378 20 0 BCADLO Cc1cc(NC(=O)C2=NNC(=O)CC2)c(C)c[nH+]1 ZINC000371241575 387180423 /nfs/dbraw/zinc/18/04/23/387180423.db2.gz CZQNCTLRZGIVTD-UHFFFAOYSA-N 1 2 246.270 0.325 20 0 BCADLO CO[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000353321285 387181805 /nfs/dbraw/zinc/18/18/05/387181805.db2.gz HTSMNSISOOPKHI-VIFPVBQESA-N 1 2 211.265 0.697 20 0 BCADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)cn(C)c1=O ZINC000571850251 387184569 /nfs/dbraw/zinc/18/45/69/387184569.db2.gz NQACPRSMORGHHL-UHFFFAOYSA-N 1 2 246.270 0.529 20 0 BCADLO CCCn1cc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000336355377 387184946 /nfs/dbraw/zinc/18/49/46/387184946.db2.gz LFXPSABPJYJNRZ-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO Cc1cc(C=C2CC[NH+](CC(N)=O)CC2)no1 ZINC000371282145 387187056 /nfs/dbraw/zinc/18/70/56/387187056.db2.gz GFTXXXJSBFKZNR-UHFFFAOYSA-N 1 2 235.287 0.948 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366587119 387133953 /nfs/dbraw/zinc/13/39/53/387133953.db2.gz IHZWKUVUJMXCPT-JFGNBEQYSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366587119 387133959 /nfs/dbraw/zinc/13/39/59/387133959.db2.gz IHZWKUVUJMXCPT-JFGNBEQYSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000536974710 387134556 /nfs/dbraw/zinc/13/45/56/387134556.db2.gz SLJGLNQZPOFTGA-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1ccn(C)n1 ZINC000336384814 387215548 /nfs/dbraw/zinc/21/55/48/387215548.db2.gz AXIKNTPTRBQWRI-UHFFFAOYSA-N 1 2 245.286 0.867 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](C)OC)C1CC1 ZINC000360027273 387216797 /nfs/dbraw/zinc/21/67/97/387216797.db2.gz GXJCJXFSWUOWNU-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](C)OC)C1CC1 ZINC000360027273 387216802 /nfs/dbraw/zinc/21/68/02/387216802.db2.gz GXJCJXFSWUOWNU-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)C[C@@H]2CC)n[nH]1 ZINC000571995398 387217434 /nfs/dbraw/zinc/21/74/34/387217434.db2.gz KSYITEYTGRNPBT-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)C[C@@H]2CC)n[nH]1 ZINC000571995398 387217442 /nfs/dbraw/zinc/21/74/42/387217442.db2.gz KSYITEYTGRNPBT-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO O=C(Cc1ncccc1F)NCCc1[nH]cc[nH+]1 ZINC000525920622 387226821 /nfs/dbraw/zinc/22/68/21/387226821.db2.gz BFQTUCUTEQBPQZ-UHFFFAOYSA-N 1 2 248.261 0.845 20 0 BCADLO Cn1cnnc1C[N@H+](C)Cc1cc[nH]c1 ZINC000572047627 387227379 /nfs/dbraw/zinc/22/73/79/387227379.db2.gz PYJATQBFOSJBFG-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CCOCCO)n1 ZINC000353575591 387227504 /nfs/dbraw/zinc/22/75/04/387227504.db2.gz PGBZHWTZEHFIHR-JTQLQIEISA-N 1 2 241.291 0.524 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CCOCCO)n1 ZINC000353575591 387227507 /nfs/dbraw/zinc/22/75/07/387227507.db2.gz PGBZHWTZEHFIHR-JTQLQIEISA-N 1 2 241.291 0.524 20 0 BCADLO Cn1cnnc1C[N@@H+](C)Cc1cc[nH]c1 ZINC000572047627 387227381 /nfs/dbraw/zinc/22/73/81/387227381.db2.gz PYJATQBFOSJBFG-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)[C@@H]1CCOC1 ZINC000371591345 387231776 /nfs/dbraw/zinc/23/17/76/387231776.db2.gz TVWRBYXCPGTGAM-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)[C@@H]1CCOC1 ZINC000371591345 387231783 /nfs/dbraw/zinc/23/17/83/387231783.db2.gz TVWRBYXCPGTGAM-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000424663474 387242099 /nfs/dbraw/zinc/24/20/99/387242099.db2.gz ZSDSKCJUAPVXJE-PWSUYJOCSA-N 1 2 244.310 0.525 20 0 BCADLO COC(=O)[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000097635573 387251208 /nfs/dbraw/zinc/25/12/08/387251208.db2.gz DOAZPCOBLPGFHT-SECBINFHSA-N 1 2 237.259 0.163 20 0 BCADLO CC[C@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000187466994 387196723 /nfs/dbraw/zinc/19/67/23/387196723.db2.gz AMQMCRITQNDBNX-SRVKXCTJSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000187466994 387196727 /nfs/dbraw/zinc/19/67/27/387196727.db2.gz AMQMCRITQNDBNX-SRVKXCTJSA-N 1 2 240.347 0.964 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364647 387198896 /nfs/dbraw/zinc/19/88/96/387198896.db2.gz OTPNXJIXDFKJMI-IUCAKERBSA-N 1 2 237.303 0.808 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364647 387198903 /nfs/dbraw/zinc/19/89/03/387198903.db2.gz OTPNXJIXDFKJMI-IUCAKERBSA-N 1 2 237.303 0.808 20 0 BCADLO COC(=O)CCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000359954257 387200031 /nfs/dbraw/zinc/20/00/31/387200031.db2.gz LSDOSBIUQRZIAB-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO C[N@H+](Cc1cnn2ccccc12)[C@H]1CCNC1=O ZINC000336370003 387201541 /nfs/dbraw/zinc/20/15/41/387201541.db2.gz JEIRLSJVZWZUBB-LBPRGKRZSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cnn2ccccc12)[C@H]1CCNC1=O ZINC000336370003 387201546 /nfs/dbraw/zinc/20/15/46/387201546.db2.gz JEIRLSJVZWZUBB-LBPRGKRZSA-N 1 2 244.298 0.655 20 0 BCADLO O=C1OC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000371989295 387261850 /nfs/dbraw/zinc/26/18/50/387261850.db2.gz ZJNMSQLXBRDGAZ-QMMMGPOBSA-N 1 2 222.248 0.046 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000230351056 387263601 /nfs/dbraw/zinc/26/36/01/387263601.db2.gz RLEGHQRIDMEXHC-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000230351056 387263605 /nfs/dbraw/zinc/26/36/05/387263605.db2.gz RLEGHQRIDMEXHC-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CO[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000525923289 387266172 /nfs/dbraw/zinc/26/61/72/387266172.db2.gz BLEKTXIKSYPRCI-NSHDSACASA-N 1 2 235.287 0.691 20 0 BCADLO c1nc([C@@H]2CCC[N@H+]2CCC2OCCO2)no1 ZINC000372046292 387269170 /nfs/dbraw/zinc/26/91/70/387269170.db2.gz AYGHDCISKFYMAK-VIFPVBQESA-N 1 2 239.275 0.970 20 0 BCADLO c1nc([C@@H]2CCC[N@@H+]2CCC2OCCO2)no1 ZINC000372046292 387269173 /nfs/dbraw/zinc/26/91/73/387269173.db2.gz AYGHDCISKFYMAK-VIFPVBQESA-N 1 2 239.275 0.970 20 0 BCADLO O=C1NC[C@@]2(CCC[N@H+](Cc3ccon3)C2)O1 ZINC000372666828 387317665 /nfs/dbraw/zinc/31/76/65/387317665.db2.gz PXDLZKXOEDFUTJ-LLVKDONJSA-N 1 2 237.259 0.749 20 0 BCADLO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccon3)C2)O1 ZINC000372666828 387317671 /nfs/dbraw/zinc/31/76/71/387317671.db2.gz PXDLZKXOEDFUTJ-LLVKDONJSA-N 1 2 237.259 0.749 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000336451469 387279973 /nfs/dbraw/zinc/27/99/73/387279973.db2.gz NDLNWLZZRVYKMW-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)o1 ZINC000336451469 387279976 /nfs/dbraw/zinc/27/99/76/387279976.db2.gz NDLNWLZZRVYKMW-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cn1ccc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000514731452 387282298 /nfs/dbraw/zinc/28/22/98/387282298.db2.gz WZCYKQAOELNORM-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372260274 387287800 /nfs/dbraw/zinc/28/78/00/387287800.db2.gz HMTAKSALNHNYMY-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000372260274 387287807 /nfs/dbraw/zinc/28/78/07/387287807.db2.gz HMTAKSALNHNYMY-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO Cc1nnc2n1CC[N@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000372254892 387288441 /nfs/dbraw/zinc/28/84/41/387288441.db2.gz ISEXYXDSDQHQAT-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nnc2n1CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000372254892 387288445 /nfs/dbraw/zinc/28/84/45/387288445.db2.gz ISEXYXDSDQHQAT-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336463798 387292147 /nfs/dbraw/zinc/29/21/47/387292147.db2.gz CONAZVSGPUFHAT-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336463798 387292151 /nfs/dbraw/zinc/29/21/51/387292151.db2.gz CONAZVSGPUFHAT-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1noc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514799994 387295191 /nfs/dbraw/zinc/29/51/91/387295191.db2.gz ZTIZROROPJNXAR-DTORHVGOSA-N 1 2 241.291 0.866 20 0 BCADLO Cc1noc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514799994 387295197 /nfs/dbraw/zinc/29/51/97/387295197.db2.gz ZTIZROROPJNXAR-DTORHVGOSA-N 1 2 241.291 0.866 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H]1CCNC1=O ZINC000336472616 387301702 /nfs/dbraw/zinc/30/17/02/387301702.db2.gz SNZLMQXFKJUQDX-SNVBAGLBSA-N 1 2 248.286 0.164 20 0 BCADLO O=C1CCN(C[NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000372465767 387303374 /nfs/dbraw/zinc/30/33/74/387303374.db2.gz XAPJVPKCKHVAPD-NSHDSACASA-N 1 2 248.330 0.479 20 0 BCADLO COC(=O)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000259321693 387303453 /nfs/dbraw/zinc/30/34/53/387303453.db2.gz DECAPJYFMCWHFN-SSDOTTSWSA-N 1 2 249.274 0.727 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000354336582 387362268 /nfs/dbraw/zinc/36/22/68/387362268.db2.gz XRWJFFSCCVPKQJ-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000373402150 387364152 /nfs/dbraw/zinc/36/41/52/387364152.db2.gz GZGMWAJIJQKUJJ-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000373402150 387364158 /nfs/dbraw/zinc/36/41/58/387364158.db2.gz GZGMWAJIJQKUJJ-CMPLNLGQSA-N 1 2 240.347 0.964 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000336555216 387377401 /nfs/dbraw/zinc/37/74/01/387377401.db2.gz DIMGGAUVHGSJGX-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cn1cncc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336555216 387377407 /nfs/dbraw/zinc/37/74/07/387377407.db2.gz DIMGGAUVHGSJGX-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cn1cncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336555216 387377413 /nfs/dbraw/zinc/37/74/13/387377413.db2.gz DIMGGAUVHGSJGX-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CNC(=O)C2)cc[nH+]1 ZINC000373523759 387377591 /nfs/dbraw/zinc/37/75/91/387377591.db2.gz YHKJUZFYSHANHY-LBPRGKRZSA-N 1 2 233.271 0.277 20 0 BCADLO CC[C@H](F)C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336557026 387379916 /nfs/dbraw/zinc/37/99/16/387379916.db2.gz XTXBIDXDGOPLHY-IUCAKERBSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336557026 387379922 /nfs/dbraw/zinc/37/99/22/387379922.db2.gz XTXBIDXDGOPLHY-IUCAKERBSA-N 1 2 202.273 0.897 20 0 BCADLO CO[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000360979833 387380769 /nfs/dbraw/zinc/38/07/69/387380769.db2.gz ODIASJFFPKKGFW-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cocn1 ZINC000572342861 387333746 /nfs/dbraw/zinc/33/37/46/387333746.db2.gz ROFILXILMJSKPY-IEBDPFPHSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cocn1 ZINC000572342861 387333754 /nfs/dbraw/zinc/33/37/54/387333754.db2.gz ROFILXILMJSKPY-IEBDPFPHSA-N 1 2 235.287 0.760 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1CCOCC1)CC2 ZINC000360681664 387334100 /nfs/dbraw/zinc/33/41/00/387334100.db2.gz QVTXNKBJVQSOPU-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO COC(=O)CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000372944479 387336015 /nfs/dbraw/zinc/33/60/15/387336015.db2.gz FGZWTBOXXGBYOV-SECBINFHSA-N 1 2 223.276 0.730 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000354139217 387337145 /nfs/dbraw/zinc/33/71/45/387337145.db2.gz QVEKOJGZXMQYNL-NXEZZACHSA-N 1 2 240.307 0.606 20 0 BCADLO COC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373001827 387340754 /nfs/dbraw/zinc/34/07/54/387340754.db2.gz YSYJXEDICHWWGF-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)N1 ZINC000395717165 387343997 /nfs/dbraw/zinc/34/39/97/387343997.db2.gz MGFFNKXQXYWTKR-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)N1 ZINC000395717165 387344004 /nfs/dbraw/zinc/34/40/04/387344004.db2.gz MGFFNKXQXYWTKR-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000360755628 387345965 /nfs/dbraw/zinc/34/59/65/387345965.db2.gz RLFGOHVQXPGBMU-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)C(C)C ZINC000360755628 387345972 /nfs/dbraw/zinc/34/59/72/387345972.db2.gz RLFGOHVQXPGBMU-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO COc1ncnc2c1C[N@H+](CCCCO)CC2 ZINC000303384890 387349013 /nfs/dbraw/zinc/34/90/13/387349013.db2.gz VGYKXJTWYQWRJU-UHFFFAOYSA-N 1 2 237.303 0.616 20 0 BCADLO COc1ncnc2c1C[N@@H+](CCCCO)CC2 ZINC000303384890 387349014 /nfs/dbraw/zinc/34/90/14/387349014.db2.gz VGYKXJTWYQWRJU-UHFFFAOYSA-N 1 2 237.303 0.616 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1CCn1cccn1 ZINC000336599912 387424510 /nfs/dbraw/zinc/42/45/10/387424510.db2.gz VNWHQFWWAYMROL-MRXNPFEDSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1CCn1cccn1 ZINC000336599912 387424514 /nfs/dbraw/zinc/42/45/14/387424514.db2.gz VNWHQFWWAYMROL-MRXNPFEDSA-N 1 2 241.360 0.726 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1cccc2[nH+]ccn21 ZINC000648074658 387429193 /nfs/dbraw/zinc/42/91/93/387429193.db2.gz HRXJZHGSCUGBBT-SNVBAGLBSA-N 1 2 244.298 0.954 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000515853635 387430101 /nfs/dbraw/zinc/43/01/01/387430101.db2.gz CCFXRBLFHJKCFF-DTWKUNHWSA-N 1 2 239.275 0.512 20 0 BCADLO CC(C)(C)[C@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000515864496 387431761 /nfs/dbraw/zinc/43/17/61/387431761.db2.gz FGJHAJPUUGJUIY-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@H](O)C[N@H+]1CCn2nncc2C1 ZINC000515864496 387431765 /nfs/dbraw/zinc/43/17/65/387431765.db2.gz FGJHAJPUUGJUIY-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000354839700 387435408 /nfs/dbraw/zinc/43/54/08/387435408.db2.gz QLLNBSCYVIYOCT-BHDSKKPTSA-N 1 2 219.350 0.600 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000354839700 387435415 /nfs/dbraw/zinc/43/54/15/387435415.db2.gz QLLNBSCYVIYOCT-BHDSKKPTSA-N 1 2 219.350 0.600 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352701993 387442420 /nfs/dbraw/zinc/44/24/20/387442420.db2.gz XCJWWNHPOTVCEU-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352701993 387442425 /nfs/dbraw/zinc/44/24/25/387442425.db2.gz XCJWWNHPOTVCEU-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO COCc1nc(C[N@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352702308 387442594 /nfs/dbraw/zinc/44/25/94/387442594.db2.gz XHGJJBIHWWASLS-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352702308 387442599 /nfs/dbraw/zinc/44/25/99/387442599.db2.gz XHGJJBIHWWASLS-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000121964813 387443765 /nfs/dbraw/zinc/44/37/65/387443765.db2.gz PQOIDZNHCKKSLG-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCSCC[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000361351260 387444365 /nfs/dbraw/zinc/44/43/65/387444365.db2.gz KUNRJYJPDBYKSU-UHFFFAOYSA-N 1 2 246.376 0.529 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000361371136 387450299 /nfs/dbraw/zinc/45/02/99/387450299.db2.gz WITSAMYLGZOJID-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000361371136 387450304 /nfs/dbraw/zinc/45/03/04/387450304.db2.gz WITSAMYLGZOJID-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO CCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000336615770 387456506 /nfs/dbraw/zinc/45/65/06/387456506.db2.gz HOIKWMZKFPGRDY-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000336615770 387456509 /nfs/dbraw/zinc/45/65/09/387456509.db2.gz HOIKWMZKFPGRDY-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO COC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000515497230 387390792 /nfs/dbraw/zinc/39/07/92/387390792.db2.gz VBFQTXICJPIFJZ-SSDOTTSWSA-N 1 2 227.264 0.934 20 0 BCADLO COC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000515497230 387390796 /nfs/dbraw/zinc/39/07/96/387390796.db2.gz VBFQTXICJPIFJZ-SSDOTTSWSA-N 1 2 227.264 0.934 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)c(O)c1 ZINC000423709801 387400247 /nfs/dbraw/zinc/40/02/47/387400247.db2.gz OHTKMCISBLEZFQ-SNVBAGLBSA-N 1 2 236.271 0.628 20 0 BCADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000354628273 387407664 /nfs/dbraw/zinc/40/76/64/387407664.db2.gz KXQBIVYJCKPRIG-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO Cn1nnc(C[N@H+](C)CC2CCCC2)n1 ZINC000194432831 387417106 /nfs/dbraw/zinc/41/71/06/387417106.db2.gz VXEKAZNLYZVMRJ-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cn1nnc(C[N@@H+](C)CC2CCCC2)n1 ZINC000194432831 387417112 /nfs/dbraw/zinc/41/71/12/387417112.db2.gz VXEKAZNLYZVMRJ-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)CCC(C)C ZINC000361219158 387417322 /nfs/dbraw/zinc/41/73/22/387417322.db2.gz AYBXEAAMGYNSRJ-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)CCC(C)C ZINC000361219158 387417324 /nfs/dbraw/zinc/41/73/24/387417324.db2.gz AYBXEAAMGYNSRJ-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354696374 387417644 /nfs/dbraw/zinc/41/76/44/387417644.db2.gz BOXACRAQMSXSMT-CHWSQXEVSA-N 1 2 248.330 0.959 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354696374 387417647 /nfs/dbraw/zinc/41/76/47/387417647.db2.gz BOXACRAQMSXSMT-CHWSQXEVSA-N 1 2 248.330 0.959 20 0 BCADLO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423768650 387418270 /nfs/dbraw/zinc/41/82/70/387418270.db2.gz FNBZZJLSZJJZFB-YIZRAAEISA-N 1 2 248.273 0.403 20 0 BCADLO COCc1noc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)n1 ZINC000352657611 387421888 /nfs/dbraw/zinc/42/18/88/387421888.db2.gz HDHNUHAQGBEXEV-BDAKNGLRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)n1 ZINC000352657611 387421893 /nfs/dbraw/zinc/42/18/93/387421893.db2.gz HDHNUHAQGBEXEV-BDAKNGLRSA-N 1 2 241.291 0.561 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352803923 387493700 /nfs/dbraw/zinc/49/37/00/387493700.db2.gz OVZNWDGYXQZTGB-HBNTYKKESA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352803923 387493703 /nfs/dbraw/zinc/49/37/03/387493703.db2.gz OVZNWDGYXQZTGB-HBNTYKKESA-N 1 2 245.319 0.266 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)sc1C ZINC000352805904 387496215 /nfs/dbraw/zinc/49/62/15/387496215.db2.gz SVSIRRYVOHENKP-ZJUUUORDSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@@H]2O)sc1C ZINC000352805904 387496218 /nfs/dbraw/zinc/49/62/18/387496218.db2.gz SVSIRRYVOHENKP-ZJUUUORDSA-N 1 2 242.344 0.951 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000516295666 387498171 /nfs/dbraw/zinc/49/81/71/387498171.db2.gz XEUKBOBFJQLBNU-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000516295666 387498176 /nfs/dbraw/zinc/49/81/76/387498176.db2.gz XEUKBOBFJQLBNU-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO CC1(C)C[C@H]([NH2+]CC(F)(F)CO)CO1 ZINC000396876571 387507737 /nfs/dbraw/zinc/50/77/37/387507737.db2.gz BKDHJDCYCQIXQT-ZETCQYMHSA-N 1 2 209.236 0.771 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000527234564 387543380 /nfs/dbraw/zinc/54/33/80/387543380.db2.gz BCYASBGWVAGRRV-BDAKNGLRSA-N 1 2 203.257 0.570 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000527234564 387543383 /nfs/dbraw/zinc/54/33/83/387543383.db2.gz BCYASBGWVAGRRV-BDAKNGLRSA-N 1 2 203.257 0.570 20 0 BCADLO Cn1nccc1C[N@H+](C)Cc1cncnc1 ZINC000355285180 387511985 /nfs/dbraw/zinc/51/19/85/387511985.db2.gz GHPSPXHRVLXOTH-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nccc1C[N@@H+](C)Cc1cncnc1 ZINC000355285180 387511987 /nfs/dbraw/zinc/51/19/87/387511987.db2.gz GHPSPXHRVLXOTH-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352818858 387515112 /nfs/dbraw/zinc/51/51/12/387515112.db2.gz VDBQTGUPENCHEN-MXWKQRLJSA-N 1 2 245.319 0.410 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352818858 387515117 /nfs/dbraw/zinc/51/51/17/387515117.db2.gz VDBQTGUPENCHEN-MXWKQRLJSA-N 1 2 245.319 0.410 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000192737816 387532445 /nfs/dbraw/zinc/53/24/45/387532445.db2.gz WHKSDAYHBCANAT-JTQLQIEISA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000192737816 387532447 /nfs/dbraw/zinc/53/24/47/387532447.db2.gz WHKSDAYHBCANAT-JTQLQIEISA-N 1 2 226.280 0.092 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000527208217 387533627 /nfs/dbraw/zinc/53/36/27/387533627.db2.gz UNYGGUBZARRVIZ-BBBLOLIVSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000527208217 387533633 /nfs/dbraw/zinc/53/36/33/387533633.db2.gz UNYGGUBZARRVIZ-BBBLOLIVSA-N 1 2 212.293 0.326 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)O)[C@H](C)CC ZINC000192788638 387534279 /nfs/dbraw/zinc/53/42/79/387534279.db2.gz PEHORVPUBHCBME-OPRDCNLKSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@@H]1O ZINC000192810706 387539228 /nfs/dbraw/zinc/53/92/28/387539228.db2.gz HOGJWPMAHQCEKW-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)CC[C@@H]1O ZINC000192810706 387539230 /nfs/dbraw/zinc/53/92/30/387539230.db2.gz HOGJWPMAHQCEKW-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834870 387539725 /nfs/dbraw/zinc/53/97/25/387539725.db2.gz XNHUOZCHWKZHKM-WPRPVWTQSA-N 1 2 237.307 0.790 20 0 BCADLO CO[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834870 387539732 /nfs/dbraw/zinc/53/97/32/387539732.db2.gz XNHUOZCHWKZHKM-WPRPVWTQSA-N 1 2 237.307 0.790 20 0 BCADLO COCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426133969 387540622 /nfs/dbraw/zinc/54/06/22/387540622.db2.gz PMYCZICFDFQNJT-UHFFFAOYSA-N 1 2 214.309 0.433 20 0 BCADLO COCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426133969 387540627 /nfs/dbraw/zinc/54/06/27/387540627.db2.gz PMYCZICFDFQNJT-UHFFFAOYSA-N 1 2 214.309 0.433 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361495639 387471415 /nfs/dbraw/zinc/47/14/15/387471415.db2.gz GNKPADXEPYHSGW-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CO)[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361495639 387471418 /nfs/dbraw/zinc/47/14/18/387471418.db2.gz GNKPADXEPYHSGW-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC(OC(C)C)C1)[C@H](C)O ZINC000355056593 387472255 /nfs/dbraw/zinc/47/22/55/387472255.db2.gz NIPWODRGHNAPOX-IDWGSYCQSA-N 1 2 245.319 0.454 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C[C@@H](C)O ZINC000361505819 387473841 /nfs/dbraw/zinc/47/38/41/387473841.db2.gz UNKQJMSPSFWJJA-SSDOTTSWSA-N 1 2 228.248 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C[C@@H](C)O ZINC000361505819 387473845 /nfs/dbraw/zinc/47/38/45/387473845.db2.gz UNKQJMSPSFWJJA-SSDOTTSWSA-N 1 2 228.248 0.274 20 0 BCADLO CCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355074224 387474801 /nfs/dbraw/zinc/47/48/01/387474801.db2.gz BWYDLVDNAAFKEH-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355074224 387474806 /nfs/dbraw/zinc/47/48/06/387474806.db2.gz BWYDLVDNAAFKEH-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1noc(C)n1)CC2 ZINC000374665379 387478588 /nfs/dbraw/zinc/47/85/88/387478588.db2.gz SFUNENSXWKRSQD-UHFFFAOYSA-N 1 2 233.275 0.899 20 0 BCADLO CNS(=O)(=O)CCC[N@@H+]1CCC=C(F)C1 ZINC000352784833 387479975 /nfs/dbraw/zinc/47/99/75/387479975.db2.gz RADYRBZPTBFSFO-UHFFFAOYSA-N 1 2 236.312 0.485 20 0 BCADLO CNS(=O)(=O)CCC[N@H+]1CCC=C(F)C1 ZINC000352784833 387479979 /nfs/dbraw/zinc/47/99/79/387479979.db2.gz RADYRBZPTBFSFO-UHFFFAOYSA-N 1 2 236.312 0.485 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CCCCO)CC2 ZINC000374710454 387480575 /nfs/dbraw/zinc/48/05/75/387480575.db2.gz NOFNWUMWBYNHBT-UHFFFAOYSA-N 1 2 209.293 0.780 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CCCCO)CC2 ZINC000374710454 387480579 /nfs/dbraw/zinc/48/05/79/387480579.db2.gz NOFNWUMWBYNHBT-UHFFFAOYSA-N 1 2 209.293 0.780 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)nc1 ZINC000355158752 387489682 /nfs/dbraw/zinc/48/96/82/387489682.db2.gz GTGWERDINGUAAS-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)nc1 ZINC000355158752 387489687 /nfs/dbraw/zinc/48/96/87/387489687.db2.gz GTGWERDINGUAAS-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CC(=O)CSCC(=O)NCc1[nH]c[nH+]c1C ZINC000426707870 387586035 /nfs/dbraw/zinc/58/60/35/387586035.db2.gz DNZOENWVOGLKSP-UHFFFAOYSA-N 1 2 241.316 0.657 20 0 BCADLO Cn1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000375828851 387586038 /nfs/dbraw/zinc/58/60/38/387586038.db2.gz GWKHDSXUIMXVFF-SECBINFHSA-N 1 2 243.257 0.639 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000305261950 387590256 /nfs/dbraw/zinc/59/02/56/387590256.db2.gz SKNRQRIFZOEZRD-SECBINFHSA-N 1 2 224.308 0.505 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)C2)n1C ZINC000305261950 387590260 /nfs/dbraw/zinc/59/02/60/387590260.db2.gz SKNRQRIFZOEZRD-SECBINFHSA-N 1 2 224.308 0.505 20 0 BCADLO C[N@H+](Cc1cncnc1)[C@H]1CCCCNC1=O ZINC000123819986 387597024 /nfs/dbraw/zinc/59/70/24/387597024.db2.gz BVVQMBPCRPIQHF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO C[N@@H+](Cc1cncnc1)[C@H]1CCCCNC1=O ZINC000123819986 387597030 /nfs/dbraw/zinc/59/70/30/387597030.db2.gz BVVQMBPCRPIQHF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000123953015 387601076 /nfs/dbraw/zinc/60/10/76/387601076.db2.gz MGQSFJIXRGBSCX-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000123953015 387601079 /nfs/dbraw/zinc/60/10/79/387601079.db2.gz MGQSFJIXRGBSCX-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](O)C(C)C)CC2 ZINC000376049359 387602402 /nfs/dbraw/zinc/60/24/02/387602402.db2.gz BDYHJRCTAJWETE-LLVKDONJSA-N 1 2 237.303 0.551 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCOc3ccccc32)CCN1 ZINC000362380681 387606319 /nfs/dbraw/zinc/60/63/19/387606319.db2.gz QSFMUXXKPDCXID-NSHDSACASA-N 1 2 246.310 0.985 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCN1 ZINC000362380681 387606323 /nfs/dbraw/zinc/60/63/23/387606323.db2.gz QSFMUXXKPDCXID-NSHDSACASA-N 1 2 246.310 0.985 20 0 BCADLO C[N@H+](CC(N)=O)Cc1nc2cc(F)ccc2o1 ZINC000362467214 387617211 /nfs/dbraw/zinc/61/72/11/387617211.db2.gz JTSZAGZQSOHZBP-UHFFFAOYSA-N 1 2 237.234 0.884 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1nc2cc(F)ccc2o1 ZINC000362467214 387617217 /nfs/dbraw/zinc/61/72/17/387617217.db2.gz JTSZAGZQSOHZBP-UHFFFAOYSA-N 1 2 237.234 0.884 20 0 BCADLO C[C@@H](CNC(=O)C1=CCOCC1)Cn1cc[nH+]c1 ZINC000356148608 387621609 /nfs/dbraw/zinc/62/16/09/387621609.db2.gz GFBMXHSCZMCTHY-NSHDSACASA-N 1 2 249.314 0.982 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cncnc1 ZINC000356152738 387622483 /nfs/dbraw/zinc/62/24/83/387622483.db2.gz ZUIDCDSIPVDALJ-UHFFFAOYSA-N 1 2 217.232 0.771 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)CCCO ZINC000124653727 387626025 /nfs/dbraw/zinc/62/60/25/387626025.db2.gz MBMSUYNDDNPQNQ-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)CCCO ZINC000124653727 387626030 /nfs/dbraw/zinc/62/60/30/387626030.db2.gz MBMSUYNDDNPQNQ-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CN(Cc1[nH+]ccn1C)Cc1ncccn1 ZINC000361860985 387547175 /nfs/dbraw/zinc/54/71/75/387547175.db2.gz SYDYDAOBTRCSNO-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO CCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857455 387547814 /nfs/dbraw/zinc/54/78/14/387547814.db2.gz QZDDVWHICWASHY-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO CCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114857455 387547818 /nfs/dbraw/zinc/54/78/18/387547818.db2.gz QZDDVWHICWASHY-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000361936523 387553762 /nfs/dbraw/zinc/55/37/62/387553762.db2.gz FKHFKRRDROHTOV-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000361936523 387553765 /nfs/dbraw/zinc/55/37/65/387553765.db2.gz FKHFKRRDROHTOV-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361959646 387556212 /nfs/dbraw/zinc/55/62/12/387556212.db2.gz QSTADKWQNQXYMC-SNVBAGLBSA-N 1 2 235.287 0.829 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361959646 387556214 /nfs/dbraw/zinc/55/62/14/387556214.db2.gz QSTADKWQNQXYMC-SNVBAGLBSA-N 1 2 235.287 0.829 20 0 BCADLO COCC(C)(C)C[N@@H+]1CCn2ncnc2C1 ZINC000426354500 387557738 /nfs/dbraw/zinc/55/77/38/387557738.db2.gz ZZHVBBMTMJGLRJ-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO COCC(C)(C)C[N@H+]1CCn2ncnc2C1 ZINC000426354500 387557744 /nfs/dbraw/zinc/55/77/44/387557744.db2.gz ZZHVBBMTMJGLRJ-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)ccn1 ZINC000527534436 387627370 /nfs/dbraw/zinc/62/73/70/387627370.db2.gz PZBHGRBGLXWIRP-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)ccn1 ZINC000527534436 387627374 /nfs/dbraw/zinc/62/73/74/387627374.db2.gz PZBHGRBGLXWIRP-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO C[C@H](C(=O)NCCC1CC1)[NH+]1CCN(C)CC1 ZINC000361993731 387560140 /nfs/dbraw/zinc/56/01/40/387560140.db2.gz TYEGKTRMSWOPKO-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO C[C@H](C(=O)N1[C@@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000527473256 387571584 /nfs/dbraw/zinc/57/15/84/387571584.db2.gz FHHBBMOOPGTYMI-SDDRHHMPSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332840007 387575012 /nfs/dbraw/zinc/57/50/12/387575012.db2.gz CAVYJWUQQDMPLN-NQMVMOMDSA-N 1 2 234.303 0.975 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332840007 387575018 /nfs/dbraw/zinc/57/50/18/387575018.db2.gz CAVYJWUQQDMPLN-NQMVMOMDSA-N 1 2 234.303 0.975 20 0 BCADLO COc1cc(C)nc(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000355759757 387576426 /nfs/dbraw/zinc/57/64/26/387576426.db2.gz XDLOZSDFVQSFOT-UHFFFAOYSA-N 1 2 235.287 0.506 20 0 BCADLO c1[nH]c(CN2CCOC[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000375748833 387577768 /nfs/dbraw/zinc/57/77/68/387577768.db2.gz AEIRHMNJHHAHIC-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO c1[nH]cc(CN2CCOC[C@@H]2[C@H]2CCCO2)[nH+]1 ZINC000375748833 387577770 /nfs/dbraw/zinc/57/77/70/387577770.db2.gz AEIRHMNJHHAHIC-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO c1[nH]c(CN2CCOC[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000375748832 387578164 /nfs/dbraw/zinc/57/81/64/387578164.db2.gz AEIRHMNJHHAHIC-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO c1[nH]cc(CN2CCOC[C@H]2[C@@H]2CCCO2)[nH+]1 ZINC000375748832 387578165 /nfs/dbraw/zinc/57/81/65/387578165.db2.gz AEIRHMNJHHAHIC-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ncc[nH]1 ZINC000527484904 387578929 /nfs/dbraw/zinc/57/89/29/387578929.db2.gz AUPPCFFUQQJNGB-SNVBAGLBSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1C ZINC000336719340 387579840 /nfs/dbraw/zinc/57/98/40/387579840.db2.gz YREBJNJPNABNEQ-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)ccn1 ZINC000527536369 387630208 /nfs/dbraw/zinc/63/02/08/387630208.db2.gz WXEQGEXDDFMCDQ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)ccn1 ZINC000527536369 387630214 /nfs/dbraw/zinc/63/02/14/387630214.db2.gz WXEQGEXDDFMCDQ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362561611 387631368 /nfs/dbraw/zinc/63/13/68/387631368.db2.gz QDPNOIOLWHCFLM-JOYOIKCWSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362561611 387631373 /nfs/dbraw/zinc/63/13/73/387631373.db2.gz QDPNOIOLWHCFLM-JOYOIKCWSA-N 1 2 238.331 0.764 20 0 BCADLO c1nc(CN2CCn3c[nH+]cc3C2)co1 ZINC000356298819 387640337 /nfs/dbraw/zinc/64/03/37/387640337.db2.gz PWSBEWALYJGIIM-UHFFFAOYSA-N 1 2 204.233 0.887 20 0 BCADLO Cc1cncc(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000362648314 387643733 /nfs/dbraw/zinc/64/37/33/387643733.db2.gz KXVSQQDMCUIBNH-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1cncc(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000362648314 387643737 /nfs/dbraw/zinc/64/37/37/387643737.db2.gz KXVSQQDMCUIBNH-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO COc1ccncc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000376511310 387645244 /nfs/dbraw/zinc/64/52/44/387645244.db2.gz LNTAXNPSBSEXLL-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccncc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000376511310 387645250 /nfs/dbraw/zinc/64/52/50/387645250.db2.gz LNTAXNPSBSEXLL-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COCc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000305783700 387652112 /nfs/dbraw/zinc/65/21/12/387652112.db2.gz AUTQCKDDXLXCQV-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000305783700 387652115 /nfs/dbraw/zinc/65/21/15/387652115.db2.gz AUTQCKDDXLXCQV-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@](O)(C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000362770191 387658614 /nfs/dbraw/zinc/65/86/14/387658614.db2.gz QIZOGLAYCZXRBA-GFCCVEGCSA-N 1 2 237.303 0.620 20 0 BCADLO FC(F)(F)Cn1nnc(C[NH+]2CCCC2)n1 ZINC000440706370 387674630 /nfs/dbraw/zinc/67/46/30/387674630.db2.gz SRPBUJVNXXLBEC-UHFFFAOYSA-N 1 2 235.213 0.831 20 0 BCADLO Cn1cc[nH+]c1CS(=O)(=O)C[C@@H]1CCCO1 ZINC000356609739 387681075 /nfs/dbraw/zinc/68/10/75/387681075.db2.gz KADPHCACSRBDCN-VIFPVBQESA-N 1 2 244.316 0.514 20 0 BCADLO COC[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440761627 387685307 /nfs/dbraw/zinc/68/53/07/387685307.db2.gz GLYINAVOAIWEDJ-JTQLQIEISA-N 1 2 242.298 0.716 20 0 BCADLO COC[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440761627 387685311 /nfs/dbraw/zinc/68/53/11/387685311.db2.gz GLYINAVOAIWEDJ-JTQLQIEISA-N 1 2 242.298 0.716 20 0 BCADLO COC[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000367705185 387744184 /nfs/dbraw/zinc/74/41/84/387744184.db2.gz MWVUDUKSOUETPY-LLVKDONJSA-N 1 2 233.271 0.952 20 0 BCADLO Cc1nc(N2CC(n3cncn3)C2)cc[nH+]1 ZINC000367764589 387748926 /nfs/dbraw/zinc/74/89/26/387748926.db2.gz CZCGYTCXCADFFA-UHFFFAOYSA-N 1 2 216.248 0.438 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000440790889 387699882 /nfs/dbraw/zinc/69/98/82/387699882.db2.gz MRMBWVFABFQSLT-UWVGGRQHSA-N 1 2 232.299 0.260 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000431386939 387706380 /nfs/dbraw/zinc/70/63/80/387706380.db2.gz QESDQVJPLJNEKT-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000431386939 387706385 /nfs/dbraw/zinc/70/63/85/387706385.db2.gz QESDQVJPLJNEKT-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[S@@](=O)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000452148188 387755095 /nfs/dbraw/zinc/75/50/95/387755095.db2.gz DJLAMPCPFFHTGU-KCWFYHRYSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@@](=O)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000452148188 387755099 /nfs/dbraw/zinc/75/50/99/387755099.db2.gz DJLAMPCPFFHTGU-KCWFYHRYSA-N 1 2 246.376 0.306 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@](C)(O)C1CC1)CC2 ZINC000367429997 387709406 /nfs/dbraw/zinc/70/94/06/387709406.db2.gz LRKSSTBHKCLMFV-ZDUSSCGKSA-N 1 2 249.314 0.695 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000127324888 387712943 /nfs/dbraw/zinc/71/29/43/387712943.db2.gz YSFGMYGLFUJLLR-NXEZZACHSA-N 1 2 247.335 0.656 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000127324888 387712951 /nfs/dbraw/zinc/71/29/51/387712951.db2.gz YSFGMYGLFUJLLR-NXEZZACHSA-N 1 2 247.335 0.656 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000377878543 387755340 /nfs/dbraw/zinc/75/53/40/387755340.db2.gz JUHBXIMFNJMLGI-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000377878543 387755343 /nfs/dbraw/zinc/75/53/43/387755343.db2.gz JUHBXIMFNJMLGI-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H]2[C@H]3COC[C@H]32)cc[nH+]1 ZINC000367470349 387715509 /nfs/dbraw/zinc/71/55/09/387715509.db2.gz SLLIXHFXQZEMAY-CNDDSTCGSA-N 1 2 247.298 0.826 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000127518122 387716477 /nfs/dbraw/zinc/71/64/77/387716477.db2.gz BXXLKMCODYHYLO-VHSXEESVSA-N 1 2 233.308 0.266 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000127518122 387716486 /nfs/dbraw/zinc/71/64/86/387716486.db2.gz BXXLKMCODYHYLO-VHSXEESVSA-N 1 2 233.308 0.266 20 0 BCADLO CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377464683 387718068 /nfs/dbraw/zinc/71/80/68/387718068.db2.gz MGBTWPIYLKTCJA-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377486380 387719765 /nfs/dbraw/zinc/71/97/65/387719765.db2.gz UMCMVMYBONBXCZ-SSDOTTSWSA-N 1 2 226.280 0.071 20 0 BCADLO CC(C)c1nc(N2C[C@H](O)C[C@@H]2CO)cc[nH+]1 ZINC000367535919 387720572 /nfs/dbraw/zinc/72/05/72/387720572.db2.gz NIPKDGUZJATQBF-NXEZZACHSA-N 1 2 237.303 0.532 20 0 BCADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CC(F)F)CC1 ZINC000127745195 387725070 /nfs/dbraw/zinc/72/50/70/387725070.db2.gz PNRDKRFLLAKKJV-SECBINFHSA-N 1 2 249.305 0.346 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](CCCCF)C2 ZINC000367558707 387727536 /nfs/dbraw/zinc/72/75/36/387727536.db2.gz FCBABUPZBUWRDG-UHFFFAOYSA-N 1 2 228.271 0.147 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](CCCCF)C2 ZINC000367558707 387727540 /nfs/dbraw/zinc/72/75/40/387727540.db2.gz FCBABUPZBUWRDG-UHFFFAOYSA-N 1 2 228.271 0.147 20 0 BCADLO CC(C)OC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424144629 387762568 /nfs/dbraw/zinc/76/25/68/387762568.db2.gz XQOJGDZGFIFMAE-MRVPVSSYSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378057631 387764138 /nfs/dbraw/zinc/76/41/38/387764138.db2.gz MLNVECVHLNUPRY-GXSJLCMTSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(N)=O ZINC000047629360 387777366 /nfs/dbraw/zinc/77/73/66/387777366.db2.gz LEOXPHJBAZGWFU-VHSXEESVSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(N)=O ZINC000047629360 387777373 /nfs/dbraw/zinc/77/73/73/387777373.db2.gz LEOXPHJBAZGWFU-VHSXEESVSA-N 1 2 241.335 0.098 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](NC(N)=O)C1 ZINC000527947676 387782455 /nfs/dbraw/zinc/78/24/55/387782455.db2.gz VHTKWZLZHWEVJW-QMMMGPOBSA-N 1 2 236.275 0.337 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527958196 387785178 /nfs/dbraw/zinc/78/51/78/387785178.db2.gz VDSRLOVXJJBOLE-UWJYBYFXSA-N 1 2 239.319 0.909 20 0 BCADLO Cc1ccc(O)c(C[NH+]2CC(n3ccnn3)C2)n1 ZINC000378534002 387789050 /nfs/dbraw/zinc/78/90/50/387789050.db2.gz NIOGSZZJZZRNLV-UHFFFAOYSA-N 1 2 245.286 0.744 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)n1 ZINC000359977256 387791801 /nfs/dbraw/zinc/79/18/01/387791801.db2.gz JTVVJTIDIDRCRO-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)n1 ZINC000359977256 387791804 /nfs/dbraw/zinc/79/18/04/387791804.db2.gz JTVVJTIDIDRCRO-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO c1c[nH+]c(CN2CCN(Cc3cocn3)CC2)[nH]1 ZINC000432740647 387812937 /nfs/dbraw/zinc/81/29/37/387812937.db2.gz BJRBLPOJRLSGND-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO COc1ccc(C[NH2+]Cc2cn(C)nn2)cn1 ZINC000054858984 387829609 /nfs/dbraw/zinc/82/96/09/387829609.db2.gz QYJZPZXMPPBQNN-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CC/C=C\CNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000452610440 387873209 /nfs/dbraw/zinc/87/32/09/387873209.db2.gz FUMHSDNHSHBPEN-FJOGCWAESA-N 1 2 239.363 0.705 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1c1cc(CO)cc[nH+]1 ZINC000168571147 387836365 /nfs/dbraw/zinc/83/63/65/387836365.db2.gz LWAYAKHOMVLXAG-ONGXEEELSA-N 1 2 238.287 0.160 20 0 BCADLO CO[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424162420 387844941 /nfs/dbraw/zinc/84/49/41/387844941.db2.gz CRRSPVWAMKVUGG-SFYZADRCSA-N 1 2 236.262 0.382 20 0 BCADLO CC(=O)N1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000061757509 387845186 /nfs/dbraw/zinc/84/51/86/387845186.db2.gz NYCSSYZZEHFXDF-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000062066021 387849751 /nfs/dbraw/zinc/84/97/51/387849751.db2.gz DJCOIZWEBLGZCI-SNVBAGLBSA-N 1 2 226.320 0.481 20 0 BCADLO C[C@@H]1CC[S@@](=O)CCN1Cc1c[nH+]cn1C ZINC000433028021 387852469 /nfs/dbraw/zinc/85/24/69/387852469.db2.gz AXKMNOFRTINZAT-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC[S@](=O)C1 ZINC000433029280 387853778 /nfs/dbraw/zinc/85/37/78/387853778.db2.gz RQPBVVWNDKTFQH-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cnn(C)c1 ZINC000433034588 387854057 /nfs/dbraw/zinc/85/40/57/387854057.db2.gz ZAOCMBJNYLGQJE-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cnn(C)c1 ZINC000433034588 387854061 /nfs/dbraw/zinc/85/40/61/387854061.db2.gz ZAOCMBJNYLGQJE-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO CCc1nc(C[NH2+][C@@](C)(CCO)COC)no1 ZINC000079920514 387862440 /nfs/dbraw/zinc/86/24/40/387862440.db2.gz XUHQORPVERSIGH-NSHDSACASA-N 1 2 243.307 0.509 20 0 BCADLO COc1ccnc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000424171621 387865513 /nfs/dbraw/zinc/86/55/13/387865513.db2.gz MBSVPPIJHJRIHI-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO COC[C@]1(C)C[N@H+](CC(C)=O)CCO1 ZINC000639896772 387816107 /nfs/dbraw/zinc/81/61/07/387816107.db2.gz ATFVNGGMQNIVIC-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC(C)=O)CCO1 ZINC000639896772 387816109 /nfs/dbraw/zinc/81/61/09/387816109.db2.gz ATFVNGGMQNIVIC-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO COC[C@H](O)CC[NH2+]Cc1cn[nH]c1C ZINC000153782939 387894032 /nfs/dbraw/zinc/89/40/32/387894032.db2.gz ULMYMXGDGLUAED-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000444643415 387898956 /nfs/dbraw/zinc/89/89/56/387898956.db2.gz VTSIMIIOZFGUKZ-XMZIXOGTSA-N 1 2 249.376 0.227 20 0 BCADLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000194869929 387896592 /nfs/dbraw/zinc/89/65/92/387896592.db2.gz CKYZHMODRBYLFZ-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000194869929 387896598 /nfs/dbraw/zinc/89/65/98/387896598.db2.gz CKYZHMODRBYLFZ-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000444643415 387898961 /nfs/dbraw/zinc/89/89/61/387898961.db2.gz VTSIMIIOZFGUKZ-XMZIXOGTSA-N 1 2 249.376 0.227 20 0 BCADLO CC/C=C\CNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000452610841 387875309 /nfs/dbraw/zinc/87/53/09/387875309.db2.gz GYWLUYKXPXUOBF-GZTOBOFZSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C\CNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000452610841 387875313 /nfs/dbraw/zinc/87/53/13/387875313.db2.gz GYWLUYKXPXUOBF-GZTOBOFZSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C/CNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000452610844 387875830 /nfs/dbraw/zinc/87/58/30/387875830.db2.gz GYWLUYKXPXUOBF-QRGHLMKCSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C/CNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000452610844 387875834 /nfs/dbraw/zinc/87/58/34/387875834.db2.gz GYWLUYKXPXUOBF-QRGHLMKCSA-N 1 2 226.320 0.790 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)C1CC(O)C1 ZINC000645857539 387877426 /nfs/dbraw/zinc/87/74/26/387877426.db2.gz LBAWLODSWYFBTF-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)C1CC(O)C1 ZINC000645857539 387877430 /nfs/dbraw/zinc/87/74/30/387877430.db2.gz LBAWLODSWYFBTF-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000194612447 387884977 /nfs/dbraw/zinc/88/49/77/387884977.db2.gz MFHRUUSXRLQAHW-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000194612447 387884980 /nfs/dbraw/zinc/88/49/80/387884980.db2.gz MFHRUUSXRLQAHW-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO OCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000152873452 387887703 /nfs/dbraw/zinc/88/77/03/387887703.db2.gz QBXKWAFORGUNLB-UHFFFAOYSA-N 1 2 222.292 0.871 20 0 BCADLO OCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000152873452 387887706 /nfs/dbraw/zinc/88/77/06/387887706.db2.gz QBXKWAFORGUNLB-UHFFFAOYSA-N 1 2 222.292 0.871 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CCCNC2=O)cn1 ZINC000532981285 387914153 /nfs/dbraw/zinc/91/41/53/387914153.db2.gz FQLOYAAJTIVRLG-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CCCNC2=O)cn1 ZINC000532981285 387914158 /nfs/dbraw/zinc/91/41/58/387914158.db2.gz FQLOYAAJTIVRLG-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000444733200 387917089 /nfs/dbraw/zinc/91/70/89/387917089.db2.gz JOYKCFDXGAJSKI-VIFPVBQESA-N 1 2 239.323 0.334 20 0 BCADLO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@H](C)CO ZINC000164896776 134861966 /nfs/dbraw/zinc/86/19/66/134861966.db2.gz LPKOENAQUGNCCT-RKDXNWHRSA-N 1 2 217.309 0.935 20 0 BCADLO CCC1(NC(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000452849043 387931847 /nfs/dbraw/zinc/93/18/47/387931847.db2.gz QIZROLNCKDBJRK-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CCS(=O)(=O)C1CC[NH+](CCOC)CC1 ZINC000444795542 387931995 /nfs/dbraw/zinc/93/19/95/387931995.db2.gz ADWIUGNZINKKLI-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000245461145 387947601 /nfs/dbraw/zinc/94/76/01/387947601.db2.gz FRKONULVMKEAGJ-MNOVXSKESA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000245461145 387947605 /nfs/dbraw/zinc/94/76/05/387947605.db2.gz FRKONULVMKEAGJ-MNOVXSKESA-N 1 2 226.320 0.716 20 0 BCADLO Cn1nccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245558220 387960326 /nfs/dbraw/zinc/96/03/26/387960326.db2.gz KKBBQBLESVQSHW-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245558220 387960329 /nfs/dbraw/zinc/96/03/29/387960329.db2.gz KKBBQBLESVQSHW-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245558224 387960630 /nfs/dbraw/zinc/96/06/30/387960630.db2.gz KKBBQBLESVQSHW-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245558224 387960632 /nfs/dbraw/zinc/96/06/32/387960632.db2.gz KKBBQBLESVQSHW-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCCO1 ZINC000158828831 387963231 /nfs/dbraw/zinc/96/32/31/387963231.db2.gz PYPUWHFBBJOPCU-SECBINFHSA-N 1 2 223.276 0.638 20 0 BCADLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCNC1=O ZINC000445904611 387978668 /nfs/dbraw/zinc/97/86/68/387978668.db2.gz RWQWMFSIGKGPDX-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCNC1=O ZINC000445904611 387978670 /nfs/dbraw/zinc/97/86/70/387978670.db2.gz RWQWMFSIGKGPDX-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCNC1=O ZINC000445904609 387979324 /nfs/dbraw/zinc/97/93/24/387979324.db2.gz RWQWMFSIGKGPDX-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCNC1=O ZINC000445904609 387979329 /nfs/dbraw/zinc/97/93/29/387979329.db2.gz RWQWMFSIGKGPDX-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000106868937 387975522 /nfs/dbraw/zinc/97/55/22/387975522.db2.gz LZTSDSXOSBDCQL-QMMMGPOBSA-N 1 2 243.307 0.071 20 0 BCADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000106868937 387975526 /nfs/dbraw/zinc/97/55/26/387975526.db2.gz LZTSDSXOSBDCQL-QMMMGPOBSA-N 1 2 243.307 0.071 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H](C)O1 ZINC000439290976 387991464 /nfs/dbraw/zinc/99/14/64/387991464.db2.gz CYIDKDPMYYBHLQ-DCAQKATOSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H](C)O1 ZINC000439290976 387991468 /nfs/dbraw/zinc/99/14/68/387991468.db2.gz CYIDKDPMYYBHLQ-DCAQKATOSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)[C@H](C)O1 ZINC000446069711 387991956 /nfs/dbraw/zinc/99/19/56/387991956.db2.gz FYBUOZOSFUEQIU-HLTSFMKQSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)[C@H](C)O1 ZINC000446069711 387991962 /nfs/dbraw/zinc/99/19/62/387991962.db2.gz FYBUOZOSFUEQIU-HLTSFMKQSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@H](C)[C@@H](C)O1 ZINC000446067724 387992600 /nfs/dbraw/zinc/99/26/00/387992600.db2.gz BPJWTIBPGKLZNV-OPRDCNLKSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](C)[C@@H](C)O1 ZINC000446067724 387992602 /nfs/dbraw/zinc/99/26/02/387992602.db2.gz BPJWTIBPGKLZNV-OPRDCNLKSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)[C@H](C)O1 ZINC000446067990 387992819 /nfs/dbraw/zinc/99/28/19/387992819.db2.gz BPJWTIBPGKLZNV-UTLUCORTSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)[C@H](C)O1 ZINC000446067990 387992826 /nfs/dbraw/zinc/99/28/26/387992826.db2.gz BPJWTIBPGKLZNV-UTLUCORTSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)[C@@H](C)O1 ZINC000446069714 387993568 /nfs/dbraw/zinc/99/35/68/387993568.db2.gz FYBUOZOSFUEQIU-IWSPIJDZSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)[C@@H](C)O1 ZINC000446069714 387993572 /nfs/dbraw/zinc/99/35/72/387993572.db2.gz FYBUOZOSFUEQIU-IWSPIJDZSA-N 1 2 240.307 0.106 20 0 BCADLO CN1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000245940795 387994784 /nfs/dbraw/zinc/99/47/84/387994784.db2.gz UHKKDMCQBVAWPW-TZMCWYRMSA-N 1 2 246.310 0.419 20 0 BCADLO CN1CC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000245940795 387994788 /nfs/dbraw/zinc/99/47/88/387994788.db2.gz UHKKDMCQBVAWPW-TZMCWYRMSA-N 1 2 246.310 0.419 20 0 BCADLO CN1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000245940790 387995562 /nfs/dbraw/zinc/99/55/62/387995562.db2.gz UHKKDMCQBVAWPW-GXTWGEPZSA-N 1 2 246.310 0.419 20 0 BCADLO CN1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000245940790 387995563 /nfs/dbraw/zinc/99/55/63/387995563.db2.gz UHKKDMCQBVAWPW-GXTWGEPZSA-N 1 2 246.310 0.419 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)[nH]n1 ZINC000114125228 177794905 /nfs/dbraw/zinc/79/49/05/177794905.db2.gz KSYRQMWHMTYEIP-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO CCN(CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000108651216 388041537 /nfs/dbraw/zinc/04/15/37/388041537.db2.gz KYCHRNHTKCPCJQ-UHFFFAOYSA-N 1 2 243.351 0.712 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(=O)CCOC)CC1 ZINC000440532451 388052284 /nfs/dbraw/zinc/05/22/84/388052284.db2.gz OSLJQCGFLMQMAA-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(=O)CCOC)CC1 ZINC000440532450 388052911 /nfs/dbraw/zinc/05/29/11/388052911.db2.gz OSLJQCGFLMQMAA-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000440540487 388053751 /nfs/dbraw/zinc/05/37/51/388053751.db2.gz XTYMXVFHCKJBCA-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000440540487 388053754 /nfs/dbraw/zinc/05/37/54/388053754.db2.gz XTYMXVFHCKJBCA-UTLUCORTSA-N 1 2 205.273 0.816 20 0 BCADLO O=C(CCn1cccn1)NCc1c[nH+]c[nH]1 ZINC000084081671 388070158 /nfs/dbraw/zinc/07/01/58/388070158.db2.gz WJMYBPFZOAEMDJ-UHFFFAOYSA-N 1 2 219.248 0.313 20 0 BCADLO O=C(CCn1cccn1)NCc1c[nH]c[nH+]1 ZINC000084081671 388070160 /nfs/dbraw/zinc/07/01/60/388070160.db2.gz WJMYBPFZOAEMDJ-UHFFFAOYSA-N 1 2 219.248 0.313 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000055058682 388074176 /nfs/dbraw/zinc/07/41/76/388074176.db2.gz AUHPWJWUSDQKTK-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000055058682 388074179 /nfs/dbraw/zinc/07/41/79/388074179.db2.gz AUHPWJWUSDQKTK-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000042338269 388087324 /nfs/dbraw/zinc/08/73/24/388087324.db2.gz JQLIDAVVPRSJIA-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)C(=O)OC ZINC000447800724 388093350 /nfs/dbraw/zinc/09/33/50/388093350.db2.gz WOENAHUCRYMLKI-AEJSXWLSSA-N 1 2 243.303 0.869 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844490 388096588 /nfs/dbraw/zinc/09/65/88/388096588.db2.gz MQQJNKANKXPURW-BDAKNGLRSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844490 388096590 /nfs/dbraw/zinc/09/65/90/388096590.db2.gz MQQJNKANKXPURW-BDAKNGLRSA-N 1 2 240.307 0.636 20 0 BCADLO CC(C)(O)CC[NH+]1CCS(=O)CC1 ZINC000086234103 388100419 /nfs/dbraw/zinc/10/04/19/388100419.db2.gz RYWZSLHVJVKGNT-UHFFFAOYSA-N 1 2 205.323 0.212 20 0 BCADLO Cc1ccnc(C[NH2+][C@H](CO)[C@H]2CCCO2)n1 ZINC000447917710 388103692 /nfs/dbraw/zinc/10/36/92/388103692.db2.gz YJYKDZWBFCLOJE-GHMZBOCLSA-N 1 2 237.303 0.415 20 0 BCADLO Cc1cnc(C[NH2+][C@H](CO)[C@@H]2CCCO2)nc1 ZINC000447923449 388104040 /nfs/dbraw/zinc/10/40/40/388104040.db2.gz SJWBXGSKWDSBCP-MNOVXSKESA-N 1 2 237.303 0.415 20 0 BCADLO CC/C=C\CNC(=O)NCC[NH+]1CCOCC1 ZINC000454241443 388109062 /nfs/dbraw/zinc/10/90/62/388109062.db2.gz MJVFRYCXAAXBPL-ARJAWSKDSA-N 1 2 241.335 0.584 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000440517113 388049648 /nfs/dbraw/zinc/04/96/48/388049648.db2.gz VABGXTHBHYDSDS-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000440517113 388049653 /nfs/dbraw/zinc/04/96/53/388049653.db2.gz VABGXTHBHYDSDS-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO O=C(NCC(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528480 135153203 /nfs/dbraw/zinc/15/32/03/135153203.db2.gz ORKZCOXOGJERAP-SCSAIBSYSA-N 1 2 214.162 0.365 20 0 BCADLO CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171396 388159434 /nfs/dbraw/zinc/15/94/34/388159434.db2.gz GZFZAPFKDRGZHE-JTQLQIEISA-N 1 2 245.286 0.894 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCO1 ZINC000070650731 388161342 /nfs/dbraw/zinc/16/13/42/388161342.db2.gz QUWXUAIDNRCSHQ-MRVPVSSYSA-N 1 2 209.249 0.547 20 0 BCADLO Cc1cnc(C(=O)N2CCc3[nH]c[nH+]c3C2)cn1 ZINC000646256930 388171010 /nfs/dbraw/zinc/17/10/10/388171010.db2.gz GYEOPVJCXZFDDD-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1cnc(C(=O)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000646256930 388171011 /nfs/dbraw/zinc/17/10/11/388171011.db2.gz GYEOPVJCXZFDDD-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1[nH]nc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1C ZINC000646261645 388173232 /nfs/dbraw/zinc/17/32/32/388173232.db2.gz SUSVOHQZPKQJOU-UHFFFAOYSA-N 1 2 245.286 0.948 20 0 BCADLO Cc1[nH]nc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1C ZINC000646261645 388173235 /nfs/dbraw/zinc/17/32/35/388173235.db2.gz SUSVOHQZPKQJOU-UHFFFAOYSA-N 1 2 245.286 0.948 20 0 BCADLO CCOCCOC1C[NH+](C[C@@H](O)CSC)C1 ZINC000488567737 388188329 /nfs/dbraw/zinc/18/83/29/388188329.db2.gz ZYNHOZKVFQEKDQ-SNVBAGLBSA-N 1 2 249.376 0.448 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]21 ZINC000152271463 388178052 /nfs/dbraw/zinc/17/80/52/388178052.db2.gz VMJJGSGHTQEJCH-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]21 ZINC000152271463 388178055 /nfs/dbraw/zinc/17/80/55/388178055.db2.gz VMJJGSGHTQEJCH-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000152292556 388178252 /nfs/dbraw/zinc/17/82/52/388178252.db2.gz INVBNBYWYROHEK-QWHCGFSZSA-N 1 2 246.310 0.842 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000152292556 388178253 /nfs/dbraw/zinc/17/82/53/388178253.db2.gz INVBNBYWYROHEK-QWHCGFSZSA-N 1 2 246.310 0.842 20 0 BCADLO CCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456201389 388184599 /nfs/dbraw/zinc/18/45/99/388184599.db2.gz BYYZAGVYWUBXET-PHIMTYICSA-N 1 2 226.320 0.766 20 0 BCADLO CCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456201389 388184600 /nfs/dbraw/zinc/18/46/00/388184600.db2.gz BYYZAGVYWUBXET-PHIMTYICSA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218157 388185625 /nfs/dbraw/zinc/18/56/25/388185625.db2.gz RMVAQHAPSNYELC-PHIMTYICSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218157 388185626 /nfs/dbraw/zinc/18/56/26/388185626.db2.gz RMVAQHAPSNYELC-PHIMTYICSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@H](C)[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033558 388129994 /nfs/dbraw/zinc/12/99/94/388129994.db2.gz LFBBHZASCXGPFC-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@H](C)[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033558 388129996 /nfs/dbraw/zinc/12/99/96/388129996.db2.gz LFBBHZASCXGPFC-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO CNC(=O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000646047288 388132203 /nfs/dbraw/zinc/13/22/03/388132203.db2.gz PGEZVKBNGNLJNX-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO O[C@H](CNc1cc[nH+]cc1F)C(F)(F)F ZINC000641530354 388151354 /nfs/dbraw/zinc/15/13/54/388151354.db2.gz LSHIYRWVUSHRPS-SSDOTTSWSA-N 1 2 224.157 0.978 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)[C@@H](C)CO ZINC000164897907 388249178 /nfs/dbraw/zinc/24/91/78/388249178.db2.gz WFZLFTAWGOVYKB-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1ccn[nH]1 ZINC000165446444 388252298 /nfs/dbraw/zinc/25/22/98/388252298.db2.gz WFGLNYWLEIJJDH-SNVBAGLBSA-N 1 2 213.281 0.287 20 0 BCADLO CS(=O)(=O)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000488707853 388191393 /nfs/dbraw/zinc/19/13/93/388191393.db2.gz FYCXEDURSWIANN-SNVBAGLBSA-N 1 2 240.328 0.953 20 0 BCADLO OC[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000250850979 388195927 /nfs/dbraw/zinc/19/59/27/388195927.db2.gz OEWDUKDDVDOHLS-NEPJUHHUSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000250850979 388195929 /nfs/dbraw/zinc/19/59/29/388195929.db2.gz OEWDUKDDVDOHLS-NEPJUHHUSA-N 1 2 245.319 0.223 20 0 BCADLO CC[C@@H](O)[C@H](CC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000456705111 388216679 /nfs/dbraw/zinc/21/66/79/388216679.db2.gz KKZJSLXKSOHUKT-WCBMZHEXSA-N 1 2 225.292 0.997 20 0 BCADLO COC(=O)C[N@H+](C)CCOCC1CC1 ZINC000083825845 256562824 /nfs/dbraw/zinc/56/28/24/256562824.db2.gz KBWHWQYLPDWCQK-UHFFFAOYSA-N 1 2 201.266 0.518 20 0 BCADLO COC(=O)C[N@@H+](C)CCOCC1CC1 ZINC000083825845 256562826 /nfs/dbraw/zinc/56/28/26/256562826.db2.gz KBWHWQYLPDWCQK-UHFFFAOYSA-N 1 2 201.266 0.518 20 0 BCADLO Cc1nc(N2CCN(C)C(=O)[C@H]2C)cc[nH+]1 ZINC000489993109 388230900 /nfs/dbraw/zinc/23/09/00/388230900.db2.gz ZGLGNPDAVSJEDO-MRVPVSSYSA-N 1 2 220.276 0.452 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CN(C)C(=O)[C@H]1C ZINC000646328857 388234039 /nfs/dbraw/zinc/23/40/39/388234039.db2.gz YZHZRRYZFSECDJ-SECBINFHSA-N 1 2 248.286 0.464 20 0 BCADLO COC(=O)CC1(C[N@H+]2CC(=O)N[C@@H](C)C2)CC1 ZINC000451643076 388286770 /nfs/dbraw/zinc/28/67/70/388286770.db2.gz SAEJTTULIXJPFC-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CC(=O)N[C@@H](C)C2)CC1 ZINC000451643076 388286772 /nfs/dbraw/zinc/28/67/72/388286772.db2.gz SAEJTTULIXJPFC-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC1(C[N@H+]2CC(=O)N[C@H](C)C2)CC1 ZINC000451643075 388287211 /nfs/dbraw/zinc/28/72/11/388287211.db2.gz SAEJTTULIXJPFC-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CC(=O)N[C@H](C)C2)CC1 ZINC000451643075 388287212 /nfs/dbraw/zinc/28/72/12/388287212.db2.gz SAEJTTULIXJPFC-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491520359 388300790 /nfs/dbraw/zinc/30/07/90/388300790.db2.gz MYVJKEFFGJSLTR-UXVFWXEMSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491520359 388300791 /nfs/dbraw/zinc/30/07/91/388300791.db2.gz MYVJKEFFGJSLTR-UXVFWXEMSA-N 1 2 238.331 0.956 20 0 BCADLO COC(=O)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451859032 388301048 /nfs/dbraw/zinc/30/10/48/388301048.db2.gz XGQWQMGCYVJDOM-ZETCQYMHSA-N 1 2 225.235 0.497 20 0 BCADLO COC(=O)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451859032 388301049 /nfs/dbraw/zinc/30/10/49/388301049.db2.gz XGQWQMGCYVJDOM-ZETCQYMHSA-N 1 2 225.235 0.497 20 0 BCADLO CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491876324 388325821 /nfs/dbraw/zinc/32/58/21/388325821.db2.gz YPSGUYQQUOKQFJ-QMMMGPOBSA-N 1 2 208.265 0.469 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\C2CC2)CCO1 ZINC000491902573 388326925 /nfs/dbraw/zinc/32/69/25/388326925.db2.gz FJRMCLRQBZMYEI-DOGVGXBMSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\C2CC2)CCO1 ZINC000491902573 388326926 /nfs/dbraw/zinc/32/69/26/388326926.db2.gz FJRMCLRQBZMYEI-DOGVGXBMSA-N 1 2 238.331 0.790 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451437048 388273275 /nfs/dbraw/zinc/27/32/75/388273275.db2.gz SEBDARAVJSSODE-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451437048 388273277 /nfs/dbraw/zinc/27/32/77/388273277.db2.gz SEBDARAVJSSODE-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000451453376 388275252 /nfs/dbraw/zinc/27/52/52/388275252.db2.gz IGPPIACPFMETJY-BDAKNGLRSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000451453376 388275254 /nfs/dbraw/zinc/27/52/54/388275254.db2.gz IGPPIACPFMETJY-BDAKNGLRSA-N 1 2 240.307 0.481 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451490140 388277611 /nfs/dbraw/zinc/27/76/11/388277611.db2.gz CWSYFMNVWNTKRJ-GDPRMGEGSA-N 1 2 225.288 0.707 20 0 BCADLO CC[C@H](CO)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492380996 388343079 /nfs/dbraw/zinc/34/30/79/388343079.db2.gz RSYWLIWWKKLMNN-WWQCOOJYSA-N 1 2 237.303 0.803 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)ns1 ZINC000096782585 177758963 /nfs/dbraw/zinc/75/89/63/177758963.db2.gz ZCOAALUETMRQAD-UHFFFAOYSA-N 1 2 225.317 0.839 20 0 BCADLO CC(C)OCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399395 388358976 /nfs/dbraw/zinc/35/89/76/388358976.db2.gz XJPMEHQIHZUIDQ-UHFFFAOYSA-N 1 2 223.276 0.691 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1cscn1 ZINC000234798987 388359931 /nfs/dbraw/zinc/35/99/31/388359931.db2.gz KIMAQZXWUYEOEZ-QMMMGPOBSA-N 1 2 202.279 0.240 20 0 BCADLO COC[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000234856936 388362265 /nfs/dbraw/zinc/36/22/65/388362265.db2.gz SLOPYWFOFBRSGI-YFKPBYRVSA-N 1 2 232.671 0.131 20 0 BCADLO COC[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000234856936 388362268 /nfs/dbraw/zinc/36/22/68/388362268.db2.gz SLOPYWFOFBRSGI-YFKPBYRVSA-N 1 2 232.671 0.131 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC(O)(C(F)F)C1 ZINC000572632958 388362384 /nfs/dbraw/zinc/36/23/84/388362384.db2.gz CWWVWACIWWEJLK-UHFFFAOYSA-N 1 2 245.229 0.181 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC(O)(C(F)F)C1 ZINC000572632958 388362386 /nfs/dbraw/zinc/36/23/86/388362386.db2.gz CWWVWACIWWEJLK-UHFFFAOYSA-N 1 2 245.229 0.181 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)no1 ZINC000305197766 388366953 /nfs/dbraw/zinc/36/69/53/388366953.db2.gz UOEDEEFKVHALAI-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)no1 ZINC000305197766 388366954 /nfs/dbraw/zinc/36/69/54/388366954.db2.gz UOEDEEFKVHALAI-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353169292 135167413 /nfs/dbraw/zinc/16/74/13/135167413.db2.gz IWIGSRXJSVBOKB-SFYZADRCSA-N 1 2 209.236 0.723 20 0 BCADLO COC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353169292 135167414 /nfs/dbraw/zinc/16/74/14/135167414.db2.gz IWIGSRXJSVBOKB-SFYZADRCSA-N 1 2 209.236 0.723 20 0 BCADLO C[S@@](=O)CCCNc1nc[nH+]c(N)c1Cl ZINC000235742768 388375464 /nfs/dbraw/zinc/37/54/64/388375464.db2.gz XTOFYKLBSJXNKS-OAHLLOKOSA-N 1 2 248.739 0.893 20 0 BCADLO C[S@@](=O)CCCNc1[nH+]cnc(N)c1Cl ZINC000235742768 388375466 /nfs/dbraw/zinc/37/54/66/388375466.db2.gz XTOFYKLBSJXNKS-OAHLLOKOSA-N 1 2 248.739 0.893 20 0 BCADLO C[S@](=O)CCCNc1nc[nH+]c(N)c1Cl ZINC000235743031 388375479 /nfs/dbraw/zinc/37/54/79/388375479.db2.gz XTOFYKLBSJXNKS-HNNXBMFYSA-N 1 2 248.739 0.893 20 0 BCADLO C[S@](=O)CCCNc1[nH+]cnc(N)c1Cl ZINC000235743031 388375483 /nfs/dbraw/zinc/37/54/83/388375483.db2.gz XTOFYKLBSJXNKS-HNNXBMFYSA-N 1 2 248.739 0.893 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccs2)n1 ZINC000236098539 388377819 /nfs/dbraw/zinc/37/78/19/388377819.db2.gz TUCOJZSLRFSZJM-UHFFFAOYSA-N 1 2 209.278 0.561 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000572873823 388382943 /nfs/dbraw/zinc/38/29/43/388382943.db2.gz HZSQIKCKEAMZSK-WDEREUQCSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000572873823 388382947 /nfs/dbraw/zinc/38/29/47/388382947.db2.gz HZSQIKCKEAMZSK-WDEREUQCSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000572873822 388383247 /nfs/dbraw/zinc/38/32/47/388383247.db2.gz HZSQIKCKEAMZSK-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000572873822 388383249 /nfs/dbraw/zinc/38/32/49/388383249.db2.gz HZSQIKCKEAMZSK-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@H]1COc2ccccc2C1 ZINC000236948634 388386689 /nfs/dbraw/zinc/38/66/89/388386689.db2.gz DTPGHLBYXGZKQO-MNOVXSKESA-N 1 2 234.299 0.844 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229576363 388394129 /nfs/dbraw/zinc/39/41/29/388394129.db2.gz FCXLNWQXKPMZNP-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229576363 388394131 /nfs/dbraw/zinc/39/41/31/388394131.db2.gz FCXLNWQXKPMZNP-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1cc(NC[C@@]2(O)CCOC2)nc[nH+]1 ZINC000229625826 388395121 /nfs/dbraw/zinc/39/51/21/388395121.db2.gz FVXKFBHNASMRQN-JTQLQIEISA-N 1 2 209.249 0.348 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)CSC ZINC000492112330 388335531 /nfs/dbraw/zinc/33/55/31/388335531.db2.gz WQNUYKIRQCFHMC-IUCAKERBSA-N 1 2 235.349 0.594 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CSC ZINC000492112330 388335532 /nfs/dbraw/zinc/33/55/32/388335532.db2.gz WQNUYKIRQCFHMC-IUCAKERBSA-N 1 2 235.349 0.594 20 0 BCADLO COCC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000525977123 388439995 /nfs/dbraw/zinc/43/99/95/388439995.db2.gz RGSOXNPRTUSVJW-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO O=C(CC[C@@H]1CCOC1)NCc1[nH]cc[nH+]1 ZINC000333432750 388445162 /nfs/dbraw/zinc/44/51/62/388445162.db2.gz KJRSTHSTFLIOOY-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO COC[C@]1(c2nc(C)no2)CCCC[NH2+]1 ZINC000634553608 388447161 /nfs/dbraw/zinc/44/71/61/388447161.db2.gz ASJYWSITSITZRA-JTQLQIEISA-N 1 2 211.265 0.993 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528369298 388452084 /nfs/dbraw/zinc/45/20/84/388452084.db2.gz YJHNEPBFZUKALX-VKWJFSHESA-N 1 2 218.684 0.315 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528369298 388452086 /nfs/dbraw/zinc/45/20/86/388452086.db2.gz YJHNEPBFZUKALX-VKWJFSHESA-N 1 2 218.684 0.315 20 0 BCADLO CC(C)c1nc(N[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000309584941 388458282 /nfs/dbraw/zinc/45/82/82/388458282.db2.gz RMYAHIMOBAVINK-RKDXNWHRSA-N 1 2 223.276 0.772 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC(F)(F)C1 ZINC000649215915 388459836 /nfs/dbraw/zinc/45/98/36/388459836.db2.gz RBFRWQZHIOJDEV-MRVPVSSYSA-N 1 2 241.241 0.923 20 0 BCADLO CNC(=O)[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000195515154 388477161 /nfs/dbraw/zinc/47/71/61/388477161.db2.gz UWFNYWOZMJJSRQ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC000195515154 388477164 /nfs/dbraw/zinc/47/71/64/388477164.db2.gz UWFNYWOZMJJSRQ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nccn1C ZINC000195515154 388477167 /nfs/dbraw/zinc/47/71/67/388477167.db2.gz UWFNYWOZMJJSRQ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+](CCOCCO)C2 ZINC000524811302 388409934 /nfs/dbraw/zinc/40/99/34/388409934.db2.gz DMFHXIJWMYSQRY-UHFFFAOYSA-N 1 2 237.303 0.152 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+](CCOCCO)C2 ZINC000524811302 388409935 /nfs/dbraw/zinc/40/99/35/388409935.db2.gz DMFHXIJWMYSQRY-UHFFFAOYSA-N 1 2 237.303 0.152 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)C[C@H](C)O ZINC000165783379 388411226 /nfs/dbraw/zinc/41/12/26/388411226.db2.gz RYQBAXJGCZVJRL-RQJHMYQMSA-N 1 2 226.280 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)C[C@H](C)O ZINC000165783379 388411227 /nfs/dbraw/zinc/41/12/27/388411227.db2.gz RYQBAXJGCZVJRL-RQJHMYQMSA-N 1 2 226.280 0.639 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)C[C@H](C)O ZINC000165783272 388411241 /nfs/dbraw/zinc/41/12/41/388411241.db2.gz RYQBAXJGCZVJRL-BQBZGAKWSA-N 1 2 226.280 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)C[C@H](C)O ZINC000165783272 388411242 /nfs/dbraw/zinc/41/12/42/388411242.db2.gz RYQBAXJGCZVJRL-BQBZGAKWSA-N 1 2 226.280 0.639 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@@H]1COC[C@H]1O ZINC000295917931 388415221 /nfs/dbraw/zinc/41/52/21/388415221.db2.gz GEJKOGRFIQMZDA-MWLCHTKSSA-N 1 2 233.271 0.745 20 0 BCADLO CCCCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000573064858 388417367 /nfs/dbraw/zinc/41/73/67/388417367.db2.gz GYVFMYCTTPBVQX-UHFFFAOYSA-N 1 2 224.308 0.776 20 0 BCADLO CCCCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000573064858 388417368 /nfs/dbraw/zinc/41/73/68/388417368.db2.gz GYVFMYCTTPBVQX-UHFFFAOYSA-N 1 2 224.308 0.776 20 0 BCADLO CCc1cnc(C[N@H+](CCO)CCOC)o1 ZINC000525274770 388423643 /nfs/dbraw/zinc/42/36/43/388423643.db2.gz FYJRNQJZOKVWLV-UHFFFAOYSA-N 1 2 228.292 0.678 20 0 BCADLO CCc1cnc(C[N@@H+](CCO)CCOC)o1 ZINC000525274770 388423644 /nfs/dbraw/zinc/42/36/44/388423644.db2.gz FYJRNQJZOKVWLV-UHFFFAOYSA-N 1 2 228.292 0.678 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000400018625 388423793 /nfs/dbraw/zinc/42/37/93/388423793.db2.gz AWXNRNNHHCMEDT-VHSXEESVSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@@H](CO)CNC(=O)NCCCn1cc[nH+]c1 ZINC000193790283 388434528 /nfs/dbraw/zinc/43/45/28/388434528.db2.gz SQBJUCQTTNQXEI-SNVBAGLBSA-N 1 2 240.307 0.201 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccn(C)n1 ZINC000573237842 388434747 /nfs/dbraw/zinc/43/47/47/388434747.db2.gz ZSFZFDIODIHDPK-SNVBAGLBSA-N 1 2 247.302 0.364 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[C@@H]1C ZINC000246076736 388438467 /nfs/dbraw/zinc/43/84/67/388438467.db2.gz DUHMIHJDBOWILX-AXFHLTTASA-N 1 2 241.335 0.415 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000517133850 388539420 /nfs/dbraw/zinc/53/94/20/388539420.db2.gz IIDSAXTZBJTDCH-UHFFFAOYSA-N 1 2 247.345 0.079 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)CCOC1 ZINC000517171990 388540775 /nfs/dbraw/zinc/54/07/75/388540775.db2.gz CTOKMDVKQVHDHZ-GFCCVEGCSA-N 1 2 237.303 0.946 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000528519114 388540869 /nfs/dbraw/zinc/54/08/69/388540869.db2.gz SNBSKMBVFYRVAL-JWNFGPPVSA-N 1 2 232.711 0.705 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000528519114 388540871 /nfs/dbraw/zinc/54/08/71/388540871.db2.gz SNBSKMBVFYRVAL-JWNFGPPVSA-N 1 2 232.711 0.705 20 0 BCADLO C[C@@H](O)C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000354427757 388544154 /nfs/dbraw/zinc/54/41/54/388544154.db2.gz LKBMWKFCOYFEBH-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCO1 ZINC000548516603 388545787 /nfs/dbraw/zinc/54/57/87/388545787.db2.gz LMTJEBYMONQRSP-SNVBAGLBSA-N 1 2 223.276 0.258 20 0 BCADLO COCCC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000528576947 388547904 /nfs/dbraw/zinc/54/79/04/388547904.db2.gz HNXHZEYLOSJUQL-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@H](C)O ZINC000374075020 388483316 /nfs/dbraw/zinc/48/33/16/388483316.db2.gz PKAYXLVZYZZQDY-GZMMTYOYSA-N 1 2 239.319 0.781 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC000374075020 388483318 /nfs/dbraw/zinc/48/33/18/388483318.db2.gz PKAYXLVZYZZQDY-GZMMTYOYSA-N 1 2 239.319 0.781 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000547805223 388484833 /nfs/dbraw/zinc/48/48/33/388484833.db2.gz DRZMUFHSNKAGCU-QWRGUYRKSA-N 1 2 237.303 0.504 20 0 BCADLO C[C@@H](CO)[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340200595 388488929 /nfs/dbraw/zinc/48/89/29/388488929.db2.gz PZBBWQWVYKJLGY-IONNQARKSA-N 1 2 238.316 0.926 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(OC)CC1 ZINC000648920076 388493217 /nfs/dbraw/zinc/49/32/17/388493217.db2.gz LPDZZLCPSTXYIK-UHFFFAOYSA-N 1 2 223.276 0.698 20 0 BCADLO CCCCn1nnnc1C[N@H+](CC)CCCO ZINC000135423357 388494669 /nfs/dbraw/zinc/49/46/69/388494669.db2.gz REFCDMLWJVTEQL-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CC)CCCO ZINC000135423357 388494671 /nfs/dbraw/zinc/49/46/71/388494671.db2.gz REFCDMLWJVTEQL-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000135586216 388501579 /nfs/dbraw/zinc/50/15/79/388501579.db2.gz TZSJAVTWXAWVJK-WPRPVWTQSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000135586216 388501581 /nfs/dbraw/zinc/50/15/81/388501581.db2.gz TZSJAVTWXAWVJK-WPRPVWTQSA-N 1 2 200.282 0.361 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000547999652 388503149 /nfs/dbraw/zinc/50/31/49/388503149.db2.gz WKKDHTGAGIASDD-UHFFFAOYSA-N 1 2 239.275 0.030 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ncn(C)n1 ZINC000548075767 388508569 /nfs/dbraw/zinc/50/85/69/388508569.db2.gz ZECODDFFVAVNNV-DTWKUNHWSA-N 1 2 237.307 0.087 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1(C)CC1 ZINC000548133201 388515252 /nfs/dbraw/zinc/51/52/52/388515252.db2.gz YLKNEFVJZZBUMB-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@H](CC)CO ZINC000345828022 388516418 /nfs/dbraw/zinc/51/64/18/388516418.db2.gz HPBJMZFXMKRXIC-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@H](CC)CO ZINC000345828022 388516420 /nfs/dbraw/zinc/51/64/20/388516420.db2.gz HPBJMZFXMKRXIC-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO C/C(Cl)=C\C[N@@H+](C)[C@H]1CCNC1=O ZINC000528427433 388523615 /nfs/dbraw/zinc/52/36/15/388523615.db2.gz WURJIQZNCZQFIR-IPWDFOCMSA-N 1 2 202.685 0.949 20 0 BCADLO C/C(Cl)=C\C[N@H+](C)[C@H]1CCNC1=O ZINC000528427433 388523618 /nfs/dbraw/zinc/52/36/18/388523618.db2.gz WURJIQZNCZQFIR-IPWDFOCMSA-N 1 2 202.685 0.949 20 0 BCADLO C/C(Cl)=C\C[N@@H+](C)[C@@H]1CCNC1=O ZINC000528427436 388523691 /nfs/dbraw/zinc/52/36/91/388523691.db2.gz WURJIQZNCZQFIR-RXLGXGPVSA-N 1 2 202.685 0.949 20 0 BCADLO C/C(Cl)=C\C[N@H+](C)[C@@H]1CCNC1=O ZINC000528427436 388523693 /nfs/dbraw/zinc/52/36/93/388523693.db2.gz WURJIQZNCZQFIR-RXLGXGPVSA-N 1 2 202.685 0.949 20 0 BCADLO CCOC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000548382879 388532233 /nfs/dbraw/zinc/53/22/33/388532233.db2.gz QOUVXLNUKDVAEP-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CNC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000517038508 388535235 /nfs/dbraw/zinc/53/52/35/388535235.db2.gz DWDGZFFXBORHHQ-UHFFFAOYSA-N 1 2 247.298 0.577 20 0 BCADLO CNC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000517038508 388535238 /nfs/dbraw/zinc/53/52/38/388535238.db2.gz DWDGZFFXBORHHQ-UHFFFAOYSA-N 1 2 247.298 0.577 20 0 BCADLO CNc1cnc(C(=O)NC2C[NH+](C(C)C)C2)cn1 ZINC000379109489 388586457 /nfs/dbraw/zinc/58/64/57/388586457.db2.gz TWSMZZLVFHSWML-UHFFFAOYSA-N 1 2 249.318 0.341 20 0 BCADLO CC(C)[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000185570291 388588914 /nfs/dbraw/zinc/58/89/14/388588914.db2.gz ZRHHYSHUSVVZPA-VXGBXAGGSA-N 1 2 240.347 0.415 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000529856086 388591219 /nfs/dbraw/zinc/59/12/19/388591219.db2.gz JKPZATKCVWHUNA-PWSUYJOCSA-N 1 2 237.303 0.944 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1[nH+]c[nH]c1C ZINC000529856086 388591221 /nfs/dbraw/zinc/59/12/21/388591221.db2.gz JKPZATKCVWHUNA-PWSUYJOCSA-N 1 2 237.303 0.944 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1ccncc1O ZINC000550079127 388598473 /nfs/dbraw/zinc/59/84/73/388598473.db2.gz FQLOPYGSDCNPQD-UHFFFAOYSA-N 1 2 246.270 0.514 20 0 BCADLO CCc1coc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000550245520 388602168 /nfs/dbraw/zinc/60/21/68/388602168.db2.gz YJAYKNVNDYQYIG-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO CCc1coc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000550245520 388602171 /nfs/dbraw/zinc/60/21/71/388602171.db2.gz YJAYKNVNDYQYIG-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO CNC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000528618319 388552231 /nfs/dbraw/zinc/55/22/31/388552231.db2.gz DXRGPLFLOTYYEF-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CNC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000528618319 388552233 /nfs/dbraw/zinc/55/22/33/388552233.db2.gz DXRGPLFLOTYYEF-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000358823538 388555422 /nfs/dbraw/zinc/55/54/22/388555422.db2.gz WFQRRUOOQGMGOU-LLVKDONJSA-N 1 2 235.287 0.560 20 0 BCADLO CC(C)(C(=O)N1CCCO1)c1c[nH+]c[nH]1 ZINC000548745923 388556181 /nfs/dbraw/zinc/55/61/81/388556181.db2.gz WQEITCXYKQIAOR-UHFFFAOYSA-N 1 2 209.249 0.851 20 0 BCADLO Cc1cnn(CCC(=O)NCCn2cc[nH+]c2)c1 ZINC000080349570 388558370 /nfs/dbraw/zinc/55/83/70/388558370.db2.gz QOYIJSNBJVBGLB-UHFFFAOYSA-N 1 2 247.302 0.595 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000360973275 388559856 /nfs/dbraw/zinc/55/98/56/388559856.db2.gz BECZITDYIPCIPX-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000360973275 388559857 /nfs/dbraw/zinc/55/98/57/388559857.db2.gz BECZITDYIPCIPX-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO COc1cc(C)[nH+]c(CNCc2nnn(C)n2)c1 ZINC000362963714 388561662 /nfs/dbraw/zinc/56/16/62/388561662.db2.gz OXQZVQRDJKGTPR-UHFFFAOYSA-N 1 2 248.290 0.212 20 0 BCADLO CCOC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528724213 388562247 /nfs/dbraw/zinc/56/22/47/388562247.db2.gz LXNNADHJVVQIFM-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528724213 388562250 /nfs/dbraw/zinc/56/22/50/388562250.db2.gz LXNNADHJVVQIFM-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CO[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548784117 388562238 /nfs/dbraw/zinc/56/22/38/388562238.db2.gz DAGUBKFYMNCQMI-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO CCOC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000528732406 388563019 /nfs/dbraw/zinc/56/30/19/388563019.db2.gz PWLKCSXRLDCOJK-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO CCOC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000528732406 388563023 /nfs/dbraw/zinc/56/30/23/388563023.db2.gz PWLKCSXRLDCOJK-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000081029341 388565327 /nfs/dbraw/zinc/56/53/27/388565327.db2.gz OPSTZCGEQVDSHG-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000081029341 388565330 /nfs/dbraw/zinc/56/53/30/388565330.db2.gz OPSTZCGEQVDSHG-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO C[C@]1(CO)C[N@H+](Cc2cnc[nH]2)C[C@@]1(C)CO ZINC000528754874 388566447 /nfs/dbraw/zinc/56/64/47/388566447.db2.gz MCTKATDNCJBVMM-TXEJJXNPSA-N 1 2 239.319 0.223 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C[C@@H](O)C(F)(F)F ZINC000193386234 388570444 /nfs/dbraw/zinc/57/04/44/388570444.db2.gz BJMNYVUAGWJQQI-SSDOTTSWSA-N 1 2 223.198 0.765 20 0 BCADLO CC1(C(N)=O)C[NH+](CC(=O)Nc2ccccc2)C1 ZINC000581129148 388571448 /nfs/dbraw/zinc/57/14/48/388571448.db2.gz MYMSYSBHUTVSPF-UHFFFAOYSA-N 1 2 247.298 0.432 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787196 388573749 /nfs/dbraw/zinc/57/37/49/388573749.db2.gz HNMXDUQOYKSGNK-SECBINFHSA-N 1 2 236.275 0.065 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787196 388573752 /nfs/dbraw/zinc/57/37/52/388573752.db2.gz HNMXDUQOYKSGNK-SECBINFHSA-N 1 2 236.275 0.065 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(N)=O ZINC000528826848 388576542 /nfs/dbraw/zinc/57/65/42/388576542.db2.gz YZOIEMQMCYUJIU-BQBZGAKWSA-N 1 2 211.240 0.745 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000252771312 388577230 /nfs/dbraw/zinc/57/72/30/388577230.db2.gz LPFRBEJZHPMVDX-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000252771312 388577232 /nfs/dbraw/zinc/57/72/32/388577232.db2.gz LPFRBEJZHPMVDX-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+](C)CC(=O)N(C)C ZINC000184424938 388578234 /nfs/dbraw/zinc/57/82/34/388578234.db2.gz IHFWPDYPSVFJOR-VIFPVBQESA-N 1 2 222.292 0.558 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+](C)CC(=O)N(C)C ZINC000184424938 388578235 /nfs/dbraw/zinc/57/82/35/388578235.db2.gz IHFWPDYPSVFJOR-VIFPVBQESA-N 1 2 222.292 0.558 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191536360 388665083 /nfs/dbraw/zinc/66/50/83/388665083.db2.gz PSSQAMIJUSYYJV-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191536360 388665085 /nfs/dbraw/zinc/66/50/85/388665085.db2.gz PSSQAMIJUSYYJV-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO CCN1CN(Cc2c[nH+]c3ccccn23)CC1=O ZINC000191842595 388671485 /nfs/dbraw/zinc/67/14/85/388671485.db2.gz WTMUTGFSGLDDHU-UHFFFAOYSA-N 1 2 244.298 0.956 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000248081226 388673451 /nfs/dbraw/zinc/67/34/51/388673451.db2.gz RWKDLAYFNRRKRK-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000248081226 388673453 /nfs/dbraw/zinc/67/34/53/388673453.db2.gz RWKDLAYFNRRKRK-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000248131966 388673983 /nfs/dbraw/zinc/67/39/83/388673983.db2.gz WPUHYMZKOOSSJY-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000248131966 388673986 /nfs/dbraw/zinc/67/39/86/388673986.db2.gz WPUHYMZKOOSSJY-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCc1noc(C[NH+](CCOC)CCOC)n1 ZINC000253605005 388619635 /nfs/dbraw/zinc/61/96/35/388619635.db2.gz BUKGEWHRPUARHF-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000551064518 388622064 /nfs/dbraw/zinc/62/20/64/388622064.db2.gz ACSFBFBERMKRRH-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000551064518 388622069 /nfs/dbraw/zinc/62/20/69/388622069.db2.gz ACSFBFBERMKRRH-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO COC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000521682207 388624411 /nfs/dbraw/zinc/62/44/11/388624411.db2.gz GMPRAMKSCHXKNX-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000521682207 388624414 /nfs/dbraw/zinc/62/44/14/388624414.db2.gz GMPRAMKSCHXKNX-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COCC[N@H+](CC[C@H]1CCCO1)CC(=O)OC ZINC000189306861 388630201 /nfs/dbraw/zinc/63/02/01/388630201.db2.gz CORSJNLFHCKUDH-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO COCC[N@@H+](CC[C@H]1CCCO1)CC(=O)OC ZINC000189306861 388630205 /nfs/dbraw/zinc/63/02/05/388630205.db2.gz CORSJNLFHCKUDH-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CC(C)[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000300943978 388633252 /nfs/dbraw/zinc/63/32/52/388633252.db2.gz YHHDBUXHIPKJRE-VIFPVBQESA-N 1 2 205.323 0.068 20 0 BCADLO CSCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000189563364 388638946 /nfs/dbraw/zinc/63/89/46/388638946.db2.gz UTRUXZBUSNVTAJ-SSDOTTSWSA-N 1 2 215.326 0.566 20 0 BCADLO CSCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000189563364 388638949 /nfs/dbraw/zinc/63/89/49/388638949.db2.gz UTRUXZBUSNVTAJ-SSDOTTSWSA-N 1 2 215.326 0.566 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOCC(F)F ZINC000190068449 388647630 /nfs/dbraw/zinc/64/76/30/388647630.db2.gz CFCRRSVJJBRTJT-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOCC(F)F ZINC000190068449 388647633 /nfs/dbraw/zinc/64/76/33/388647633.db2.gz CFCRRSVJJBRTJT-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO CC[C@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCO1 ZINC000246693902 388648130 /nfs/dbraw/zinc/64/81/30/388648130.db2.gz YUDLWIOAUGMQAE-QWRGUYRKSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCO1 ZINC000246693902 388648132 /nfs/dbraw/zinc/64/81/32/388648132.db2.gz YUDLWIOAUGMQAE-QWRGUYRKSA-N 1 2 249.376 0.778 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccnn1C ZINC000530381519 388652649 /nfs/dbraw/zinc/65/26/49/388652649.db2.gz UUNUTBPEXXIGRP-UHFFFAOYSA-N 1 2 219.248 0.335 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000067457209 388734447 /nfs/dbraw/zinc/73/44/47/388734447.db2.gz BVAILGGZKOWCLB-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000067457209 388734450 /nfs/dbraw/zinc/73/44/50/388734450.db2.gz BVAILGGZKOWCLB-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO O=C(c1cc[nH]n1)N1CC(n2cc[nH+]c2)C1 ZINC000522258844 388738942 /nfs/dbraw/zinc/73/89/42/388738942.db2.gz IYFGTPJCIHVHNX-UHFFFAOYSA-N 1 2 217.232 0.303 20 0 BCADLO O=C(c1ccn[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000522258844 388738944 /nfs/dbraw/zinc/73/89/44/388738944.db2.gz IYFGTPJCIHVHNX-UHFFFAOYSA-N 1 2 217.232 0.303 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2)[N@H+](C)C1 ZINC000330560470 388757484 /nfs/dbraw/zinc/75/74/84/388757484.db2.gz SCOCGHVZFAJYPE-QWRGUYRKSA-N 1 2 235.287 0.739 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2)[N@@H+](C)C1 ZINC000330560470 388757487 /nfs/dbraw/zinc/75/74/87/388757487.db2.gz SCOCGHVZFAJYPE-QWRGUYRKSA-N 1 2 235.287 0.739 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267567 388741965 /nfs/dbraw/zinc/74/19/65/388741965.db2.gz INHMFGFBVWUXJR-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267567 388741967 /nfs/dbraw/zinc/74/19/67/388741967.db2.gz INHMFGFBVWUXJR-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO O=C(NCC1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522316180 388750337 /nfs/dbraw/zinc/75/03/37/388750337.db2.gz ZCHODTRUBMGQHD-UHFFFAOYSA-N 1 2 243.270 0.802 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC000126160007 388689708 /nfs/dbraw/zinc/68/97/08/388689708.db2.gz FXAAPBJTXFUXEH-XXFAHNHDSA-N 1 2 246.376 0.211 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC000126160007 388689712 /nfs/dbraw/zinc/68/97/12/388689712.db2.gz FXAAPBJTXFUXEH-XXFAHNHDSA-N 1 2 246.376 0.211 20 0 BCADLO Nc1[nH+]cnc(NCCCCO)c1Cl ZINC000225828616 388690276 /nfs/dbraw/zinc/69/02/76/388690276.db2.gz YSLFBZZTCXBPET-UHFFFAOYSA-N 1 2 216.672 0.897 20 0 BCADLO Nc1nc[nH+]c(NCCCCO)c1Cl ZINC000225828616 388690278 /nfs/dbraw/zinc/69/02/78/388690278.db2.gz YSLFBZZTCXBPET-UHFFFAOYSA-N 1 2 216.672 0.897 20 0 BCADLO NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000193142387 388694373 /nfs/dbraw/zinc/69/43/73/388694373.db2.gz XJUYJZQIHJMBRT-UHFFFAOYSA-N 1 2 204.233 0.545 20 0 BCADLO Cc1nnc(C[N@H+](C)CCO)n1C1CC1 ZINC000195079697 388694889 /nfs/dbraw/zinc/69/48/89/388694889.db2.gz JSUUAGDRTVMBCA-UHFFFAOYSA-N 1 2 210.281 0.346 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCO)n1C1CC1 ZINC000195079697 388694891 /nfs/dbraw/zinc/69/48/91/388694891.db2.gz JSUUAGDRTVMBCA-UHFFFAOYSA-N 1 2 210.281 0.346 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248958100 388700830 /nfs/dbraw/zinc/70/08/30/388700830.db2.gz GBJTYIGFQVZTNC-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248958100 388700832 /nfs/dbraw/zinc/70/08/32/388700832.db2.gz GBJTYIGFQVZTNC-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H](CO)O1 ZINC000248964961 388702519 /nfs/dbraw/zinc/70/25/19/388702519.db2.gz GZVUYFVMBOUALE-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H](CO)O1 ZINC000248964961 388702521 /nfs/dbraw/zinc/70/25/21/388702521.db2.gz GZVUYFVMBOUALE-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO CN(C)c1[nH+]cc(CN2CCCOCC2)n1C ZINC000425332741 388703343 /nfs/dbraw/zinc/70/33/43/388703343.db2.gz ZQSNSYMNMJMPTC-UHFFFAOYSA-N 1 2 238.335 0.708 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)CC1CC1)[C@H](C)O ZINC000249069971 388707093 /nfs/dbraw/zinc/70/70/93/388707093.db2.gz KTFQCQQDVWSMMZ-KHQFGBGNSA-N 1 2 215.293 0.687 20 0 BCADLO CC[N@H+](CCc1cnn(C)c1)CC(=O)OC ZINC000226152142 388707533 /nfs/dbraw/zinc/70/75/33/388707533.db2.gz AIHZZWAKCAVJKU-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CC[N@@H+](CCc1cnn(C)c1)CC(=O)OC ZINC000226152142 388707534 /nfs/dbraw/zinc/70/75/34/388707534.db2.gz AIHZZWAKCAVJKU-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCOC1 ZINC000552531006 388721763 /nfs/dbraw/zinc/72/17/63/388721763.db2.gz FBDUBYQPHHCMMK-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)[C@H]2C)CCO1 ZINC000249461235 388723344 /nfs/dbraw/zinc/72/33/44/388723344.db2.gz ZKQJODQWOOHZRU-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)[C@H]2C)CCO1 ZINC000249461235 388723345 /nfs/dbraw/zinc/72/33/45/388723345.db2.gz ZKQJODQWOOHZRU-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ccnn2C)[C@@H](C(N)=O)C1 ZINC000249599579 388729343 /nfs/dbraw/zinc/72/93/43/388729343.db2.gz XUZVUOHPPQKTBH-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ccnn2C)[C@@H](C(N)=O)C1 ZINC000249599579 388729345 /nfs/dbraw/zinc/72/93/45/388729345.db2.gz XUZVUOHPPQKTBH-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249768795 388733289 /nfs/dbraw/zinc/73/32/89/388733289.db2.gz BJGKHQKKPOIHDY-GZMMTYOYSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249768795 388733291 /nfs/dbraw/zinc/73/32/91/388733291.db2.gz BJGKHQKKPOIHDY-GZMMTYOYSA-N 1 2 209.293 0.921 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229573068 388794797 /nfs/dbraw/zinc/79/47/97/388794797.db2.gz GSNHDVRICYZLDC-DTWKUNHWSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229573068 388794800 /nfs/dbraw/zinc/79/48/00/388794800.db2.gz GSNHDVRICYZLDC-DTWKUNHWSA-N 1 2 201.266 0.252 20 0 BCADLO Cc1cc(N[C@@H](C(N)=O)C(C)C)nc[nH+]1 ZINC000229782107 388800226 /nfs/dbraw/zinc/80/02/26/388800226.db2.gz YKBHHTLBJWVNNC-SECBINFHSA-N 1 2 208.265 0.707 20 0 BCADLO O=C(NCCn1ccnc1)NCCn1cc[nH+]c1 ZINC000193208574 388808808 /nfs/dbraw/zinc/80/88/08/388808808.db2.gz PWMUIAGEUATLJE-UHFFFAOYSA-N 1 2 248.290 0.079 20 0 BCADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H](CO)O1 ZINC000230004940 388810149 /nfs/dbraw/zinc/81/01/49/388810149.db2.gz OPHRBGKPGHVXHO-UWVGGRQHSA-N 1 2 208.261 0.668 20 0 BCADLO COC[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227849370 388759895 /nfs/dbraw/zinc/75/98/95/388759895.db2.gz OQMPZMFNTPSSHD-YFKPBYRVSA-N 1 2 232.671 0.131 20 0 BCADLO COC[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227849370 388759898 /nfs/dbraw/zinc/75/98/98/388759898.db2.gz OQMPZMFNTPSSHD-YFKPBYRVSA-N 1 2 232.671 0.131 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1C ZINC000252016348 388760882 /nfs/dbraw/zinc/76/08/82/388760882.db2.gz YFXWPRARBOPWQV-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1C ZINC000252016348 388760885 /nfs/dbraw/zinc/76/08/85/388760885.db2.gz YFXWPRARBOPWQV-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO CC[C@H]([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000228728269 388773551 /nfs/dbraw/zinc/77/35/51/388773551.db2.gz KRTHCIVHFVZKHK-IUCAKERBSA-N 1 2 219.281 0.189 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000539830591 388783976 /nfs/dbraw/zinc/78/39/76/388783976.db2.gz GYNUDAHPSKEXRC-NSHDSACASA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000539830591 388783977 /nfs/dbraw/zinc/78/39/77/388783977.db2.gz GYNUDAHPSKEXRC-NSHDSACASA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000539830591 388783980 /nfs/dbraw/zinc/78/39/80/388783980.db2.gz GYNUDAHPSKEXRC-NSHDSACASA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000539830591 388783981 /nfs/dbraw/zinc/78/39/81/388783981.db2.gz GYNUDAHPSKEXRC-NSHDSACASA-N 1 2 247.298 0.756 20 0 BCADLO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000229435806 388788772 /nfs/dbraw/zinc/78/87/72/388788772.db2.gz MKXQLNPGHKJIET-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@H]1COCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000253355939 388815200 /nfs/dbraw/zinc/81/52/00/388815200.db2.gz WDXQRUDXBIRBHZ-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1COCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000253355939 388815201 /nfs/dbraw/zinc/81/52/01/388815201.db2.gz WDXQRUDXBIRBHZ-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2cc[nH]n2)[nH]1 ZINC000093085234 388826717 /nfs/dbraw/zinc/82/67/17/388826717.db2.gz WMXLYHYTAABPBV-UHFFFAOYSA-N 1 2 234.259 0.814 20 0 BCADLO CSCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523441891 388839070 /nfs/dbraw/zinc/83/90/70/388839070.db2.gz YQZKMHAGZVCTJM-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CSCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523441891 388839073 /nfs/dbraw/zinc/83/90/73/388839073.db2.gz YQZKMHAGZVCTJM-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO COC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000648759502 388840938 /nfs/dbraw/zinc/84/09/38/388840938.db2.gz GWBZQLNWEDZTGB-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000648759502 388840943 /nfs/dbraw/zinc/84/09/43/388840943.db2.gz GWBZQLNWEDZTGB-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1CCC1(C)C ZINC000541889123 388873408 /nfs/dbraw/zinc/87/34/08/388873408.db2.gz JTQLEPFFBKBBCB-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1CCC1(C)C ZINC000541889123 388873411 /nfs/dbraw/zinc/87/34/11/388873411.db2.gz JTQLEPFFBKBBCB-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nnnn2C)cn1 ZINC000541645902 388861143 /nfs/dbraw/zinc/86/11/43/388861143.db2.gz ZEJAEHZNHDIBBY-SECBINFHSA-N 1 2 249.322 0.838 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCNC(=O)CC1 ZINC000555871616 388862919 /nfs/dbraw/zinc/86/29/19/388862919.db2.gz OEIHWHQYHDPLJK-UHFFFAOYSA-N 1 2 226.305 0.168 20 0 BCADLO Cc1nnsc1C[N@H+]1CCNC(=O)CC1 ZINC000555871616 388862922 /nfs/dbraw/zinc/86/29/22/388862922.db2.gz OEIHWHQYHDPLJK-UHFFFAOYSA-N 1 2 226.305 0.168 20 0 BCADLO O=C(Cc1ccncc1)N1CC(n2cc[nH+]c2)C1 ZINC000541861873 388870701 /nfs/dbraw/zinc/87/07/01/388870701.db2.gz ZWHCFASDWHXHQN-UHFFFAOYSA-N 1 2 242.282 0.904 20 0 BCADLO COC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000648765578 388848751 /nfs/dbraw/zinc/84/87/51/388848751.db2.gz MMXAAWZGXBVUFP-UHFFFAOYSA-N 1 2 248.282 0.850 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CO1 ZINC000649151026 388881091 /nfs/dbraw/zinc/88/10/91/388881091.db2.gz KDGGMXOMADUZAI-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000564788895 388889642 /nfs/dbraw/zinc/88/96/42/388889642.db2.gz ICIJKFREDPADAJ-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000564788895 388889646 /nfs/dbraw/zinc/88/96/46/388889646.db2.gz ICIJKFREDPADAJ-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)COC(C)C ZINC000564843848 388892744 /nfs/dbraw/zinc/89/27/44/388892744.db2.gz GBCVJPCVIVTFJV-NSHDSACASA-N 1 2 227.308 0.594 20 0 BCADLO CCOCC[C@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000564845624 388894542 /nfs/dbraw/zinc/89/45/42/388894542.db2.gz UZCJKXHHACOAAE-NSHDSACASA-N 1 2 227.308 0.595 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)C[C@H](CO)O1 ZINC000572562981 388895051 /nfs/dbraw/zinc/89/50/51/388895051.db2.gz JZNJFCYAUUKCMZ-VHSXEESVSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)C[C@H](CO)O1 ZINC000572562981 388895052 /nfs/dbraw/zinc/89/50/52/388895052.db2.gz JZNJFCYAUUKCMZ-VHSXEESVSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)C[C@@H](CO)O1 ZINC000572562980 388895950 /nfs/dbraw/zinc/89/59/50/388895950.db2.gz JZNJFCYAUUKCMZ-UWVGGRQHSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)C[C@@H](CO)O1 ZINC000572562980 388895952 /nfs/dbraw/zinc/89/59/52/388895952.db2.gz JZNJFCYAUUKCMZ-UWVGGRQHSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)C[C@@H](CO)O1 ZINC000572562982 388895999 /nfs/dbraw/zinc/89/59/99/388895999.db2.gz JZNJFCYAUUKCMZ-ZJUUUORDSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)C[C@@H](CO)O1 ZINC000572562982 388896001 /nfs/dbraw/zinc/89/60/01/388896001.db2.gz JZNJFCYAUUKCMZ-ZJUUUORDSA-N 1 2 238.287 0.369 20 0 BCADLO Cc1[nH]c(CNC2(C(=O)N(C)C)CC2)[nH+]c1C ZINC000565241250 388930806 /nfs/dbraw/zinc/93/08/06/388930806.db2.gz BHOSUOLDMSZNJX-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1nc(C[NH2+]C2(C(=O)N(C)C)CC2)[nH]c1C ZINC000565241250 388930810 /nfs/dbraw/zinc/93/08/10/388930810.db2.gz BHOSUOLDMSZNJX-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO COC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000566043132 388984164 /nfs/dbraw/zinc/98/41/64/388984164.db2.gz SYTMJZFCAHHQLY-SNVBAGLBSA-N 1 2 249.270 0.980 20 0 BCADLO CC(CO)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000268212028 389001923 /nfs/dbraw/zinc/00/19/23/389001923.db2.gz QPRZVLHADMRTIM-UHFFFAOYSA-N 1 2 223.276 0.509 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C)s1 ZINC000271373796 389019938 /nfs/dbraw/zinc/01/99/38/389019938.db2.gz CDFATUKGPMHIOP-UHFFFAOYSA-N 1 2 201.295 0.661 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C)s1 ZINC000271373796 389019932 /nfs/dbraw/zinc/01/99/32/389019932.db2.gz CDFATUKGPMHIOP-UHFFFAOYSA-N 1 2 201.295 0.661 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1csnn1 ZINC000188502210 169687363 /nfs/dbraw/zinc/68/73/63/169687363.db2.gz CAIDUWNIFURPBM-SSDOTTSWSA-N 1 2 228.321 0.495 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000294071620 169687775 /nfs/dbraw/zinc/68/77/75/169687775.db2.gz KWPGAIWLCRAWOI-NXEZZACHSA-N 1 2 236.319 0.784 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC000510111067 533292620 /nfs/dbraw/zinc/29/26/20/533292620.db2.gz ASBRTBTXWTUGBO-DTORHVGOSA-N 1 2 240.307 0.745 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC000510111067 533292627 /nfs/dbraw/zinc/29/26/27/533292627.db2.gz ASBRTBTXWTUGBO-DTORHVGOSA-N 1 2 240.307 0.745 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)n2C)C1 ZINC000510134922 533293321 /nfs/dbraw/zinc/29/33/21/533293321.db2.gz RBXPQXJYHKLMSD-AOOOYVTPSA-N 1 2 224.308 0.733 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)n2C)C1 ZINC000510134922 533293326 /nfs/dbraw/zinc/29/33/26/533293326.db2.gz RBXPQXJYHKLMSD-AOOOYVTPSA-N 1 2 224.308 0.733 20 0 BCADLO CO[C@@H](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808102 533326370 /nfs/dbraw/zinc/32/63/70/533326370.db2.gz CBPNLIDHKVGITA-TYRPZCRBSA-N 1 2 223.276 0.964 20 0 BCADLO CO[C@@H]1C[NH+](Cc2nnc(C)s2)C[C@H]1OC ZINC000488110792 533480552 /nfs/dbraw/zinc/48/05/52/533480552.db2.gz QRVVWDIEVNVEDK-RKDXNWHRSA-N 1 2 243.332 0.692 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493814506 533593895 /nfs/dbraw/zinc/59/38/95/533593895.db2.gz DXTPDXJOKVKJRC-QUVLDPTJSA-N 1 2 235.243 0.243 20 0 BCADLO C[C@@H](CCCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493211229 533561730 /nfs/dbraw/zinc/56/17/30/533561730.db2.gz YFOGNOYVOFTTAN-WBSSQXGSSA-N 1 2 223.276 0.700 20 0 BCADLO Cc1nc(N2CCN(C)C(=O)C2)cc[nH+]1 ZINC000266221253 132185041 /nfs/dbraw/zinc/18/50/41/132185041.db2.gz HVAIXSFACYWMDB-UHFFFAOYSA-N 1 2 206.249 0.063 20 0 BCADLO COCCN1CCN(c2cccc[nH+]2)CC1=O ZINC000271059747 132198620 /nfs/dbraw/zinc/19/86/20/132198620.db2.gz DNPTZFDRYQUOHG-UHFFFAOYSA-N 1 2 235.287 0.377 20 0 BCADLO O=C1CO[C@@H]2CCN(c3cccc[nH+]3)C[C@@H]2N1 ZINC000366620418 132212177 /nfs/dbraw/zinc/21/21/77/132212177.db2.gz QRZLMFGXBCPMFN-VHSXEESVSA-N 1 2 233.271 0.175 20 0 BCADLO C[C@H]1COCCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000295026101 132220330 /nfs/dbraw/zinc/22/03/30/132220330.db2.gz VBWGOVNVWJZTJZ-JTQLQIEISA-N 1 2 248.330 0.690 20 0 BCADLO C[C@H]1COCCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000295026101 132220333 /nfs/dbraw/zinc/22/03/33/132220333.db2.gz VBWGOVNVWJZTJZ-JTQLQIEISA-N 1 2 248.330 0.690 20 0 BCADLO CCc1cc(N2CCn3ncnc3C2)nc(C)[nH+]1 ZINC000329978265 132244603 /nfs/dbraw/zinc/24/46/03/132244603.db2.gz HFSMYYQEEQAURR-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO Cc1nc(N2C[C@H](C(N)=O)CC[C@H]2C)cc[nH+]1 ZINC000301335877 132253256 /nfs/dbraw/zinc/25/32/56/132253256.db2.gz CVQKOYBNESDNMX-PSASIEDQSA-N 1 2 234.303 0.875 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1cccc[nH+]1 ZINC000302454928 132263619 /nfs/dbraw/zinc/26/36/19/132263619.db2.gz SULYEHKHJWBTBN-VIFPVBQESA-N 1 2 205.261 0.749 20 0 BCADLO CC(=O)N1CCN(c2cc(C)[nH+]cn2)[C@H](C)C1 ZINC000357151550 132272826 /nfs/dbraw/zinc/27/28/26/132272826.db2.gz LCZABCQHJJLHGM-SNVBAGLBSA-N 1 2 234.303 0.842 20 0 BCADLO Cc1nc(N2CC[C@H]3C(=O)NC[C@@H]3C2)cc[nH+]1 ZINC000368629138 132283503 /nfs/dbraw/zinc/28/35/03/132283503.db2.gz XASMOZIKPKUIPR-NXEZZACHSA-N 1 2 232.287 0.357 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@@H](O)C2)c1Cl ZINC000227841010 132292134 /nfs/dbraw/zinc/29/21/34/132292134.db2.gz YTZZAYQHDUIHRK-ZCFIWIBFSA-N 1 2 228.683 0.673 20 0 BCADLO Nc1nc[nH+]c(N2CCC[C@@H](O)C2)c1Cl ZINC000227841010 132292136 /nfs/dbraw/zinc/29/21/36/132292136.db2.gz YTZZAYQHDUIHRK-ZCFIWIBFSA-N 1 2 228.683 0.673 20 0 BCADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H](CO)O1 ZINC000299912941 132308389 /nfs/dbraw/zinc/30/83/89/132308389.db2.gz OPHRBGKPGHVXHO-VHSXEESVSA-N 1 2 208.261 0.668 20 0 BCADLO CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000048557129 132355338 /nfs/dbraw/zinc/35/53/38/132355338.db2.gz FIQATJHTGGGDQU-UHFFFAOYSA-N 1 2 248.330 0.340 20 0 BCADLO Cc1cc(N2CC(=O)N(C)[C@@H](C)C2)nc[nH+]1 ZINC000336924892 132454603 /nfs/dbraw/zinc/45/46/03/132454603.db2.gz VYSAOOWAASLEQA-VIFPVBQESA-N 1 2 220.276 0.452 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1c1cccc[nH+]1 ZINC000088093953 133547254 /nfs/dbraw/zinc/54/72/54/133547254.db2.gz ATIXAKJWOQRMOF-VHSXEESVSA-N 1 2 208.261 0.668 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000334230837 133596124 /nfs/dbraw/zinc/59/61/24/133596124.db2.gz SMRBTASDQSKKTB-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cncnc1 ZINC000343761576 133707658 /nfs/dbraw/zinc/70/76/58/133707658.db2.gz BFQLMJPLSCDFIH-UHFFFAOYSA-N 1 2 246.274 0.874 20 0 BCADLO CC(C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335934524 134012038 /nfs/dbraw/zinc/01/20/38/134012038.db2.gz UQXOPTZKGGWMAP-WDEREUQCSA-N 1 2 241.335 0.509 20 0 BCADLO CC(C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335934524 134012039 /nfs/dbraw/zinc/01/20/39/134012039.db2.gz UQXOPTZKGGWMAP-WDEREUQCSA-N 1 2 241.335 0.509 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000335935493 134012146 /nfs/dbraw/zinc/01/21/46/134012146.db2.gz CDVPJKNBLSZXDH-SECBINFHSA-N 1 2 208.265 0.920 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000335935493 134012147 /nfs/dbraw/zinc/01/21/47/134012147.db2.gz CDVPJKNBLSZXDH-SECBINFHSA-N 1 2 208.265 0.920 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C[C@@H](C)O)s1 ZINC000351948228 134015750 /nfs/dbraw/zinc/01/57/50/134015750.db2.gz CCVKGDOXRUSAOQ-SSDOTTSWSA-N 1 2 231.321 0.022 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C[C@@H](C)O)s1 ZINC000351948228 134015751 /nfs/dbraw/zinc/01/57/51/134015751.db2.gz CCVKGDOXRUSAOQ-SSDOTTSWSA-N 1 2 231.321 0.022 20 0 BCADLO Cc1nocc1C[N@@H+]1CCNC(=O)CC1 ZINC000335941882 134017510 /nfs/dbraw/zinc/01/75/10/134017510.db2.gz ULJWJACAXRKDPH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1nocc1C[N@H+]1CCNC(=O)CC1 ZINC000335941882 134017511 /nfs/dbraw/zinc/01/75/11/134017511.db2.gz ULJWJACAXRKDPH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335943869 134018595 /nfs/dbraw/zinc/01/85/95/134018595.db2.gz WRYWLFQZCIZNEB-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335946674 134020593 /nfs/dbraw/zinc/02/05/93/134020593.db2.gz CEIJHHWKPYZDLN-RKDXNWHRSA-N 1 2 237.303 0.669 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335962025 134026985 /nfs/dbraw/zinc/02/69/85/134026985.db2.gz BQERTIPDHULITH-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335962025 134026986 /nfs/dbraw/zinc/02/69/86/134026986.db2.gz BQERTIPDHULITH-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000335966092 134028138 /nfs/dbraw/zinc/02/81/38/134028138.db2.gz MQXLYIFTCNOHET-WDEREUQCSA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000335966092 134028139 /nfs/dbraw/zinc/02/81/39/134028139.db2.gz MQXLYIFTCNOHET-WDEREUQCSA-N 1 2 226.320 0.574 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21)C1CC1 ZINC000336037139 134060252 /nfs/dbraw/zinc/06/02/52/134060252.db2.gz KKHSSDQMTSRFIP-NEPJUHHUSA-N 1 2 238.331 0.861 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21)C1CC1 ZINC000336037139 134060253 /nfs/dbraw/zinc/06/02/53/134060253.db2.gz KKHSSDQMTSRFIP-NEPJUHHUSA-N 1 2 238.331 0.861 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cnns2)C1 ZINC000352081931 134060876 /nfs/dbraw/zinc/06/08/76/134060876.db2.gz AKURTMBVZBYPHF-UHFFFAOYSA-N 1 2 226.305 0.361 20 0 BCADLO C[C@H]1C[C@H](C(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000336039798 134061147 /nfs/dbraw/zinc/06/11/47/134061147.db2.gz DTBXXFWWUNCKGB-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000336054255 134065872 /nfs/dbraw/zinc/06/58/72/134065872.db2.gz VAWDARUTWIYWSV-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000336054255 134065873 /nfs/dbraw/zinc/06/58/73/134065873.db2.gz VAWDARUTWIYWSV-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352108441 134068239 /nfs/dbraw/zinc/06/82/39/134068239.db2.gz YFRAJWYUBSHKRU-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352108441 134068240 /nfs/dbraw/zinc/06/82/40/134068240.db2.gz YFRAJWYUBSHKRU-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO Cn1cccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336102707 134083711 /nfs/dbraw/zinc/08/37/11/134083711.db2.gz LHBIQIRYVCFGLC-SNVBAGLBSA-N 1 2 244.298 0.966 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000336106095 134085028 /nfs/dbraw/zinc/08/50/28/134085028.db2.gz UBWLGRUPCCPLTF-GXSJLCMTSA-N 1 2 237.303 0.587 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000336106098 134085074 /nfs/dbraw/zinc/08/50/74/134085074.db2.gz UBWLGRUPCCPLTF-ONGXEEELSA-N 1 2 237.303 0.587 20 0 BCADLO Cn1c[nH+]cc1CN1CCN(C2CC2)C(=O)C1 ZINC000336182335 134119862 /nfs/dbraw/zinc/11/98/62/134119862.db2.gz GXYUKEMIHGFZOJ-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO CC(C)N(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000336185684 134121085 /nfs/dbraw/zinc/12/10/85/134121085.db2.gz BNCIUKCKDMEEQX-LLVKDONJSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000336185684 134121086 /nfs/dbraw/zinc/12/10/86/134121086.db2.gz BNCIUKCKDMEEQX-LLVKDONJSA-N 1 2 226.320 0.716 20 0 BCADLO Cc1cc(N2CC[S@](=O)[C@@H](C)C2)nc[nH+]1 ZINC000352265291 134129045 /nfs/dbraw/zinc/12/90/45/134129045.db2.gz KPDNINIKJAPTPP-VFZGTOFNSA-N 1 2 225.317 0.742 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCCNC1=O ZINC000362211857 134209424 /nfs/dbraw/zinc/20/94/24/134209424.db2.gz DPNMLEUDUJATOD-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCCNC1=O ZINC000362211857 134209425 /nfs/dbraw/zinc/20/94/25/134209425.db2.gz DPNMLEUDUJATOD-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168614819 134231977 /nfs/dbraw/zinc/23/19/77/134231977.db2.gz CYVXYHOYSOJNCP-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168614819 134231978 /nfs/dbraw/zinc/23/19/78/134231978.db2.gz CYVXYHOYSOJNCP-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO CC[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1[nH]cc[nH+]1 ZINC000218079643 134251703 /nfs/dbraw/zinc/25/17/03/134251703.db2.gz OZLGKYPFRRUUSQ-SECBINFHSA-N 1 2 246.270 0.979 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249935 134252324 /nfs/dbraw/zinc/25/23/24/134252324.db2.gz VHRILLIQNLIZBD-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170683530 134253223 /nfs/dbraw/zinc/25/32/23/134253223.db2.gz YZAXQDZQSGIRFK-SNVBAGLBSA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170683530 134253224 /nfs/dbraw/zinc/25/32/24/134253224.db2.gz YZAXQDZQSGIRFK-SNVBAGLBSA-N 1 2 212.293 0.399 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@@H](C)CC ZINC000171063696 134257324 /nfs/dbraw/zinc/25/73/24/134257324.db2.gz UNZURBGFLSCWJQ-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@@H](C)CC ZINC000171063696 134257325 /nfs/dbraw/zinc/25/73/25/134257325.db2.gz UNZURBGFLSCWJQ-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCn1cc[nH+]c1CN1CCC[C@H]1C(N)=O ZINC000171647066 134257693 /nfs/dbraw/zinc/25/76/93/134257693.db2.gz QVYVCVVYXXPZIJ-VIFPVBQESA-N 1 2 222.292 0.353 20 0 BCADLO CSCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000172359554 134266159 /nfs/dbraw/zinc/26/61/59/134266159.db2.gz CMSUFLZGTDYPRE-JTQLQIEISA-N 1 2 244.360 0.329 20 0 BCADLO CSCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000172359554 134266160 /nfs/dbraw/zinc/26/61/60/134266160.db2.gz CMSUFLZGTDYPRE-JTQLQIEISA-N 1 2 244.360 0.329 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nccs2)C1 ZINC000174465382 134281858 /nfs/dbraw/zinc/28/18/58/134281858.db2.gz ACLXIQXRDULDNH-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2nccs2)C1 ZINC000174465382 134281859 /nfs/dbraw/zinc/28/18/59/134281859.db2.gz ACLXIQXRDULDNH-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO CCN1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175060522 134284190 /nfs/dbraw/zinc/28/41/90/134284190.db2.gz VCMPSBZDFUEDFW-LBPRGKRZSA-N 1 2 241.379 0.879 20 0 BCADLO Cc1nn(C)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000220005619 134298499 /nfs/dbraw/zinc/29/84/99/134298499.db2.gz ORYUKKKXLHZYDV-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCOC1 ZINC000178382279 134309228 /nfs/dbraw/zinc/30/92/28/134309228.db2.gz GQQDVUSDISRAET-LLVKDONJSA-N 1 2 245.282 0.987 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178635454 134312639 /nfs/dbraw/zinc/31/26/39/134312639.db2.gz DDTQVYPSGZEDQU-NEPJUHHUSA-N 1 2 239.363 0.539 20 0 BCADLO C[C@@H](O)[C@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000221172162 134317344 /nfs/dbraw/zinc/31/73/44/134317344.db2.gz RIGPEEKMJPRJKL-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO c1ncn([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000179466593 134320644 /nfs/dbraw/zinc/32/06/44/134320644.db2.gz XOIHMKOWVKRMLC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000179466593 134320645 /nfs/dbraw/zinc/32/06/45/134320645.db2.gz XOIHMKOWVKRMLC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000179466593 134320646 /nfs/dbraw/zinc/32/06/46/134320646.db2.gz XOIHMKOWVKRMLC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000179466593 134320647 /nfs/dbraw/zinc/32/06/47/134320647.db2.gz XOIHMKOWVKRMLC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cn1 ZINC000179652520 134323214 /nfs/dbraw/zinc/32/32/14/134323214.db2.gz STCXZGUVBTYOAQ-LLVKDONJSA-N 1 2 246.318 0.886 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)cn1 ZINC000179652520 134323215 /nfs/dbraw/zinc/32/32/15/134323215.db2.gz STCXZGUVBTYOAQ-LLVKDONJSA-N 1 2 246.318 0.886 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cn1 ZINC000180559392 134329839 /nfs/dbraw/zinc/32/98/39/134329839.db2.gz JFUPFQVOJXJRQG-STQMWFEESA-N 1 2 249.314 0.856 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cn1 ZINC000180559392 134329840 /nfs/dbraw/zinc/32/98/40/134329840.db2.gz JFUPFQVOJXJRQG-STQMWFEESA-N 1 2 249.314 0.856 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000181743755 134339356 /nfs/dbraw/zinc/33/93/56/134339356.db2.gz VMKHUGSUZGISLN-XCBNKYQSSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000181743755 134339357 /nfs/dbraw/zinc/33/93/57/134339357.db2.gz VMKHUGSUZGISLN-XCBNKYQSSA-N 1 2 239.275 0.058 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000182195884 134342573 /nfs/dbraw/zinc/34/25/73/134342573.db2.gz FYUFGHPQQRARQH-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000182195884 134342574 /nfs/dbraw/zinc/34/25/74/134342574.db2.gz FYUFGHPQQRARQH-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO CCCOCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000225755265 134357248 /nfs/dbraw/zinc/35/72/48/134357248.db2.gz IBTWZHRHFJOZGD-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)on1 ZINC000184164558 134359285 /nfs/dbraw/zinc/35/92/85/134359285.db2.gz BJCUKDFJOSXSBB-UHFFFAOYSA-N 1 2 236.231 0.379 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000226319694 134360147 /nfs/dbraw/zinc/36/01/47/134360147.db2.gz VMFQBWPOKQEHSR-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000226319694 134360148 /nfs/dbraw/zinc/36/01/48/134360148.db2.gz VMFQBWPOKQEHSR-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C(F)F ZINC000226572857 134366787 /nfs/dbraw/zinc/36/67/87/134366787.db2.gz PBMQXTAXFWMFOS-ZCFIWIBFSA-N 1 2 243.217 0.401 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccon1 ZINC000185426552 134380182 /nfs/dbraw/zinc/38/01/82/134380182.db2.gz DCTPJRPROZUVCQ-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccon1 ZINC000185426552 134380183 /nfs/dbraw/zinc/38/01/83/134380183.db2.gz DCTPJRPROZUVCQ-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000408078397 134388415 /nfs/dbraw/zinc/38/84/15/134388415.db2.gz BYCFJSMVILRXLS-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000408078397 134388416 /nfs/dbraw/zinc/38/84/16/134388416.db2.gz BYCFJSMVILRXLS-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000408085848 134389686 /nfs/dbraw/zinc/38/96/86/134389686.db2.gz DGDNUHATYITPPT-BDAKNGLRSA-N 1 2 238.291 0.787 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000408085848 134389687 /nfs/dbraw/zinc/38/96/87/134389687.db2.gz DGDNUHATYITPPT-BDAKNGLRSA-N 1 2 238.291 0.787 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000408087667 134390145 /nfs/dbraw/zinc/39/01/45/134390145.db2.gz FMNBBENHXSFKLC-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000408087667 134390147 /nfs/dbraw/zinc/39/01/47/134390147.db2.gz FMNBBENHXSFKLC-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000408085850 134390547 /nfs/dbraw/zinc/39/05/47/134390547.db2.gz DGDNUHATYITPPT-IUCAKERBSA-N 1 2 238.291 0.787 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000408085850 134390549 /nfs/dbraw/zinc/39/05/49/134390549.db2.gz DGDNUHATYITPPT-IUCAKERBSA-N 1 2 238.291 0.787 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1(C)COC1)C1CC1 ZINC000227770126 134393682 /nfs/dbraw/zinc/39/36/82/134393682.db2.gz YKSZRYFATMMOFT-SECBINFHSA-N 1 2 213.277 0.564 20 0 BCADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccon1 ZINC000185912244 134396338 /nfs/dbraw/zinc/39/63/38/134396338.db2.gz ZHMPWNSFRGZGJO-NSHDSACASA-N 1 2 223.276 0.905 20 0 BCADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccon1 ZINC000185912244 134396340 /nfs/dbraw/zinc/39/63/40/134396340.db2.gz ZHMPWNSFRGZGJO-NSHDSACASA-N 1 2 223.276 0.905 20 0 BCADLO Cc1cc(NC[C@@H](O)C(N)=O)nc(C(C)C)[nH+]1 ZINC000228603572 134418129 /nfs/dbraw/zinc/41/81/29/134418129.db2.gz DOWMTTDBPYMNQZ-MRVPVSSYSA-N 1 2 238.291 0.167 20 0 BCADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)C(=O)N(C)C ZINC000235220082 134590255 /nfs/dbraw/zinc/59/02/55/134590255.db2.gz RJPRAHVSAQIPRL-RXMQYKEDSA-N 1 2 243.698 0.601 20 0 BCADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)C(=O)N(C)C ZINC000235220082 134590256 /nfs/dbraw/zinc/59/02/56/134590256.db2.gz RJPRAHVSAQIPRL-RXMQYKEDSA-N 1 2 243.698 0.601 20 0 BCADLO CCOC(=O)C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000194520719 134828606 /nfs/dbraw/zinc/82/86/06/134828606.db2.gz FBBGZODWGNIZIH-AWEZNQCLSA-N 1 2 249.310 0.973 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CCC1=O ZINC000070853608 134925178 /nfs/dbraw/zinc/92/51/78/134925178.db2.gz NVVUHCIBUJAYQK-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000248394681 135001608 /nfs/dbraw/zinc/00/16/08/135001608.db2.gz IFQVHBMOYUBNFB-AEJSXWLSSA-N 1 2 242.319 0.572 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCOC1 ZINC000070650703 135004305 /nfs/dbraw/zinc/00/43/05/135004305.db2.gz MLDSYZQJPCMLLG-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000070650746 135004506 /nfs/dbraw/zinc/00/45/06/135004506.db2.gz SJSLIBWVCCZHFG-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248792048 135021165 /nfs/dbraw/zinc/02/11/65/135021165.db2.gz DNGODMIVCLACOS-QXEWZRGKSA-N 1 2 240.303 0.006 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248792048 135021167 /nfs/dbraw/zinc/02/11/67/135021167.db2.gz DNGODMIVCLACOS-QXEWZRGKSA-N 1 2 240.303 0.006 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000248912555 135026021 /nfs/dbraw/zinc/02/60/21/135026021.db2.gz NMIMCNZVOKFUJR-VWYCJHECSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000248912555 135026022 /nfs/dbraw/zinc/02/60/22/135026022.db2.gz NMIMCNZVOKFUJR-VWYCJHECSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)[C@@H](C)CO1 ZINC000248945411 135027672 /nfs/dbraw/zinc/02/76/72/135027672.db2.gz CHFMMCUOTACPQX-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)[C@@H](C)CO1 ZINC000248945411 135027674 /nfs/dbraw/zinc/02/76/74/135027674.db2.gz CHFMMCUOTACPQX-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000249504037 135040154 /nfs/dbraw/zinc/04/01/54/135040154.db2.gz HMQWAGOVWROVEX-BDAKNGLRSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000249504037 135040156 /nfs/dbraw/zinc/04/01/56/135040156.db2.gz HMQWAGOVWROVEX-BDAKNGLRSA-N 1 2 210.281 0.713 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000077898106 135084395 /nfs/dbraw/zinc/08/43/95/135084395.db2.gz XPUVRJFAZMGRIV-SECBINFHSA-N 1 2 214.334 0.656 20 0 BCADLO CCC(CC)NC(=O)NCC[NH+]1CCOCC1 ZINC000077931129 135085033 /nfs/dbraw/zinc/08/50/33/135085033.db2.gz NXAPATOQYNJHIO-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO Cn1c[nH+]cc1CSC[C@H](O)CO ZINC000086660132 135092576 /nfs/dbraw/zinc/09/25/76/135092576.db2.gz YVRNVLSAPZTFTO-MRVPVSSYSA-N 1 2 202.279 0.007 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765795 135096508 /nfs/dbraw/zinc/09/65/08/135096508.db2.gz YXNZOWNLIPHNFJ-ZETCQYMHSA-N 1 2 213.306 0.946 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1cnc(N)s1 ZINC000086765795 135096510 /nfs/dbraw/zinc/09/65/10/135096510.db2.gz YXNZOWNLIPHNFJ-ZETCQYMHSA-N 1 2 213.306 0.946 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253312419 135125962 /nfs/dbraw/zinc/12/59/62/135125962.db2.gz VWXUWXLBKNZYIA-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253312419 135125964 /nfs/dbraw/zinc/12/59/64/135125964.db2.gz VWXUWXLBKNZYIA-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(CC)C(=O)C1 ZINC000261031842 135149283 /nfs/dbraw/zinc/14/92/83/135149283.db2.gz FZLMMXMLIJAJOZ-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(CC)C(=O)C1 ZINC000261031842 135149285 /nfs/dbraw/zinc/14/92/85/135149285.db2.gz FZLMMXMLIJAJOZ-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528104 135152706 /nfs/dbraw/zinc/15/27/06/135152706.db2.gz IMZXVNTXCMKARM-RNFRBKRXSA-N 1 2 206.236 0.898 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)n1C ZINC000084081835 135180913 /nfs/dbraw/zinc/18/09/13/135180913.db2.gz ANLHASUAYQDUSY-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)n1C ZINC000084081835 135180915 /nfs/dbraw/zinc/18/09/15/135180915.db2.gz ANLHASUAYQDUSY-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1cc(NCCCn2ccnn2)nc[nH+]1 ZINC000163904424 135208380 /nfs/dbraw/zinc/20/83/80/135208380.db2.gz UCWMNIZMPFREIN-UHFFFAOYSA-N 1 2 218.264 0.879 20 0 BCADLO CO[C@@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000164091834 135214034 /nfs/dbraw/zinc/21/40/34/135214034.db2.gz FETLTQAIXMSVIP-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CO[C@@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000164091834 135214036 /nfs/dbraw/zinc/21/40/36/135214036.db2.gz FETLTQAIXMSVIP-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000084377036 135215190 /nfs/dbraw/zinc/21/51/90/135215190.db2.gz BANLDKAOSUDPDW-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO Cc1cc(N[C@@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164211991 135216504 /nfs/dbraw/zinc/21/65/04/135216504.db2.gz CTQPFWOJDWGABF-RTHLEPHNSA-N 1 2 213.306 0.964 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)OC ZINC000342406420 135272505 /nfs/dbraw/zinc/27/25/05/135272505.db2.gz WSNCRCISCJOEEX-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)OC ZINC000342406420 135272507 /nfs/dbraw/zinc/27/25/07/135272507.db2.gz WSNCRCISCJOEEX-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2nccn2C)no1 ZINC000342602758 135301593 /nfs/dbraw/zinc/30/15/93/135301593.db2.gz BFBRVBMKGARJGK-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2nccn2C)no1 ZINC000342602758 135301595 /nfs/dbraw/zinc/30/15/95/135301595.db2.gz BFBRVBMKGARJGK-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CCCO1 ZINC000262694697 135313735 /nfs/dbraw/zinc/31/37/35/135313735.db2.gz BAGFTHZEHFWXNE-CIUDSAMLSA-N 1 2 248.273 0.667 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@H](O)[C@H](C)C2)n1C ZINC000342784617 135317354 /nfs/dbraw/zinc/31/73/54/135317354.db2.gz URUJRTVOAMRWNJ-KOLCDFICSA-N 1 2 223.320 0.931 20 0 BCADLO CCCN(CC(=O)NC)Cc1[nH+]cc(C)n1C ZINC000342789675 135318183 /nfs/dbraw/zinc/31/81/83/135318183.db2.gz LOKSZBHOLZXTOG-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CO[C@@H]1CCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342795621 135320136 /nfs/dbraw/zinc/32/01/36/135320136.db2.gz XWFAIZWVHNMZTL-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c[nH+]c(CN2CCNC(=O)CC2)n1C ZINC000342801572 135322155 /nfs/dbraw/zinc/32/21/55/135322155.db2.gz XZGRVYIFSLNOKG-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263012132 135326257 /nfs/dbraw/zinc/32/62/57/135326257.db2.gz PUUDPBGIRPUJMQ-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO COCC[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000342764665 135326755 /nfs/dbraw/zinc/32/67/55/135326755.db2.gz JJXUUALHXROXFU-MRVPVSSYSA-N 1 2 229.280 0.855 20 0 BCADLO COCC[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000342764665 135326756 /nfs/dbraw/zinc/32/67/56/135326756.db2.gz JJXUUALHXROXFU-MRVPVSSYSA-N 1 2 229.280 0.855 20 0 BCADLO Cc1c[nH+]c(CN2CCN(C)C(=O)[C@@H]2C)n1C ZINC000342775968 135326994 /nfs/dbraw/zinc/32/69/94/135326994.db2.gz JOKHFSGQFOJYEZ-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC(C)C1 ZINC000334223639 135329101 /nfs/dbraw/zinc/32/91/01/135329101.db2.gz XLGDKZSDKWSNTC-VQXHTEKXSA-N 1 2 226.320 0.622 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC(C)C1 ZINC000334223639 135329102 /nfs/dbraw/zinc/32/91/02/135329102.db2.gz XLGDKZSDKWSNTC-VQXHTEKXSA-N 1 2 226.320 0.622 20 0 BCADLO Cn1nccc1C[N@@H+]1CCn2ccnc2C1 ZINC000334287886 135339980 /nfs/dbraw/zinc/33/99/80/135339980.db2.gz YMAWGLMJRJZNNB-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1nccc1C[N@H+]1CCn2ccnc2C1 ZINC000334287886 135339982 /nfs/dbraw/zinc/33/99/82/135339982.db2.gz YMAWGLMJRJZNNB-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1nccc1CN1CCn2cc[nH+]c2C1 ZINC000334287886 135339984 /nfs/dbraw/zinc/33/99/84/135339984.db2.gz YMAWGLMJRJZNNB-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cc1cc(CCNC(=O)CCn2cc[nH+]c2)on1 ZINC000343140300 135360700 /nfs/dbraw/zinc/36/07/00/135360700.db2.gz AUPSVVNLZCRMFN-UHFFFAOYSA-N 1 2 248.286 0.929 20 0 BCADLO CC(C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334347280 135366707 /nfs/dbraw/zinc/36/67/07/135366707.db2.gz REMCDKGYROJLCB-GHMZBOCLSA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334347280 135366709 /nfs/dbraw/zinc/36/67/09/135366709.db2.gz REMCDKGYROJLCB-GHMZBOCLSA-N 1 2 226.320 0.574 20 0 BCADLO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCNC1=O ZINC000334352862 135369536 /nfs/dbraw/zinc/36/95/36/135369536.db2.gz XTFKPPUOPIHEGP-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCNC1=O ZINC000334352862 135369537 /nfs/dbraw/zinc/36/95/37/135369537.db2.gz XTFKPPUOPIHEGP-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCC3)C[C@@H]21 ZINC000334385031 135381483 /nfs/dbraw/zinc/38/14/83/135381483.db2.gz MHYZDPZSOREEHC-WDEREUQCSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCC3)C[C@@H]21 ZINC000334385031 135381484 /nfs/dbraw/zinc/38/14/84/135381484.db2.gz MHYZDPZSOREEHC-WDEREUQCSA-N 1 2 239.319 0.263 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCCC1 ZINC000334393202 135385242 /nfs/dbraw/zinc/38/52/42/135385242.db2.gz ZOJJLAYFSFKEHX-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCCC1 ZINC000334393202 135385243 /nfs/dbraw/zinc/38/52/43/135385243.db2.gz ZOJJLAYFSFKEHX-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)NCC1(C)C ZINC000334403366 135390771 /nfs/dbraw/zinc/39/07/71/135390771.db2.gz DTSREFCSWSOTAM-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CCc1nnc(C[N@H+](C)CC(C)(C)O)o1 ZINC000078778709 135395241 /nfs/dbraw/zinc/39/52/41/135395241.db2.gz HCXYZAQFCOQOBV-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC(C)(C)O)o1 ZINC000078778709 135395242 /nfs/dbraw/zinc/39/52/42/135395242.db2.gz HCXYZAQFCOQOBV-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCOC1 ZINC000343868883 135706031 /nfs/dbraw/zinc/70/60/31/135706031.db2.gz BFRXXOLVSAWXGV-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H](C(=O)N[C@H]1C[C@@H]1C(F)F)[NH+]1CCOCC1 ZINC000345837391 135897723 /nfs/dbraw/zinc/89/77/23/135897723.db2.gz ZKOAKBFUMZVMFT-VGMNWLOBSA-N 1 2 248.273 0.477 20 0 BCADLO COc1cc([C@@H](C)[NH2+]Cc2n[nH]c(=O)[nH]2)ccn1 ZINC000347652319 136001541 /nfs/dbraw/zinc/00/15/41/136001541.db2.gz MAKBBOGEMNYHRA-SSDOTTSWSA-N 1 2 249.274 0.765 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cnns1 ZINC000347780644 136009497 /nfs/dbraw/zinc/00/94/97/136009497.db2.gz OYORKFMWHNTCGT-UOWDBTKRSA-N 1 2 233.362 0.737 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cnns1 ZINC000347780644 136009498 /nfs/dbraw/zinc/00/94/98/136009498.db2.gz OYORKFMWHNTCGT-UOWDBTKRSA-N 1 2 233.362 0.737 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2CC2)C1 ZINC000347894153 136015450 /nfs/dbraw/zinc/01/54/50/136015450.db2.gz VZAANFOGSWWSSU-NSHDSACASA-N 1 2 225.336 0.149 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2CC2)C1 ZINC000347894153 136015451 /nfs/dbraw/zinc/01/54/51/136015451.db2.gz VZAANFOGSWWSSU-NSHDSACASA-N 1 2 225.336 0.149 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCOC1 ZINC000348005651 136020738 /nfs/dbraw/zinc/02/07/38/136020738.db2.gz HJWCZEOJVOZDOH-ZYHUDNBSSA-N 1 2 237.303 0.814 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000335317293 136025378 /nfs/dbraw/zinc/02/53/78/136025378.db2.gz SKXHDAVUUAAJNY-BDAKNGLRSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000335317293 136025379 /nfs/dbraw/zinc/02/53/79/136025379.db2.gz SKXHDAVUUAAJNY-BDAKNGLRSA-N 1 2 238.253 0.954 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)n1 ZINC000348097395 136035521 /nfs/dbraw/zinc/03/55/21/136035521.db2.gz VCMHPCHCLUAJKO-BQBZGAKWSA-N 1 2 238.291 0.696 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348094484 136035596 /nfs/dbraw/zinc/03/55/96/136035596.db2.gz GLHTVDRZGYNXAI-SFYZADRCSA-N 1 2 240.307 0.943 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348094482 136035843 /nfs/dbraw/zinc/03/58/43/136035843.db2.gz GLHTVDRZGYNXAI-HTQZYQBOSA-N 1 2 240.307 0.943 20 0 BCADLO CNC(=O)CC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000348135719 136038506 /nfs/dbraw/zinc/03/85/06/136038506.db2.gz LVIZXWNTMGJMJR-UHFFFAOYSA-N 1 2 242.319 0.588 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000348145165 136039277 /nfs/dbraw/zinc/03/92/77/136039277.db2.gz OOXIOVJTRMATTC-MRVPVSSYSA-N 1 2 227.264 0.437 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000348145165 136039278 /nfs/dbraw/zinc/03/92/78/136039278.db2.gz OOXIOVJTRMATTC-MRVPVSSYSA-N 1 2 227.264 0.437 20 0 BCADLO COCCCCNC(=O)NCc1[nH+]ccn1C ZINC000348219309 136047387 /nfs/dbraw/zinc/04/73/87/136047387.db2.gz MDHPWPHOKHVDFY-UHFFFAOYSA-N 1 2 240.307 0.646 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2)C[C@H](C)[S@@]1=O ZINC000348224356 136047513 /nfs/dbraw/zinc/04/75/13/136047513.db2.gz RPSWZWMCSSYBPM-JIXVBMEVSA-N 1 2 217.334 0.617 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@H](C)[S@@]1=O ZINC000348224356 136047514 /nfs/dbraw/zinc/04/75/14/136047514.db2.gz RPSWZWMCSSYBPM-JIXVBMEVSA-N 1 2 217.334 0.617 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCOC2)C[C@@H](C)S1=O ZINC000348224361 136047847 /nfs/dbraw/zinc/04/78/47/136047847.db2.gz RPSWZWMCSSYBPM-OPRDCNLKSA-N 1 2 217.334 0.617 20 0 BCADLO O=C(c1cccnc1)N1CCn2c[nH+]cc2C1 ZINC000335322176 136050273 /nfs/dbraw/zinc/05/02/73/136050273.db2.gz RZLYNWNXOXYKBM-UHFFFAOYSA-N 1 2 228.255 0.934 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1ccncc1F ZINC000335327260 136052391 /nfs/dbraw/zinc/05/23/91/136052391.db2.gz LSQSXUIHVCQCPH-UHFFFAOYSA-N 1 2 249.249 0.698 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc[nH]1 ZINC000335331847 136054302 /nfs/dbraw/zinc/05/43/02/136054302.db2.gz FZQCKVFPVKPSMM-SECBINFHSA-N 1 2 230.271 0.956 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc[nH]1 ZINC000335331848 136054325 /nfs/dbraw/zinc/05/43/25/136054325.db2.gz FZQCKVFPVKPSMM-VIFPVBQESA-N 1 2 230.271 0.956 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348207169 136054545 /nfs/dbraw/zinc/05/45/45/136054545.db2.gz CMWPAMMQKYLDMJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348207169 136054546 /nfs/dbraw/zinc/05/45/46/136054546.db2.gz CMWPAMMQKYLDMJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO C[C@H]1NC(=O)N(Cc2ccc[nH+]c2N(C)C)C1=O ZINC000348241968 136056307 /nfs/dbraw/zinc/05/63/07/136056307.db2.gz QEIHBEBMXIHBFM-MRVPVSSYSA-N 1 2 248.286 0.588 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348399002 136076815 /nfs/dbraw/zinc/07/68/15/136076815.db2.gz IPDAOBXNGVEZAQ-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348399002 136076816 /nfs/dbraw/zinc/07/68/16/136076816.db2.gz IPDAOBXNGVEZAQ-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)CO1 ZINC000335370124 136082762 /nfs/dbraw/zinc/08/27/62/136082762.db2.gz HDLRUJBNXDLPMW-VHSXEESVSA-N 1 2 237.303 0.804 20 0 BCADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccn(C)n1 ZINC000335376467 136085942 /nfs/dbraw/zinc/08/59/42/136085942.db2.gz QTSQKTHFCNONFP-ZETCQYMHSA-N 1 2 244.245 0.380 20 0 BCADLO CC1=CCCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000335387371 136089213 /nfs/dbraw/zinc/08/92/13/136089213.db2.gz VZAYROLWXHUQKF-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO Cn1ccnc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000335397623 136092912 /nfs/dbraw/zinc/09/29/12/136092912.db2.gz NNESJJGZUSKXLN-UHFFFAOYSA-N 1 2 208.265 0.777 20 0 BCADLO Cn1cc[nH+]c1CN1CC(C)(C(N)=O)C1 ZINC000335397623 136092913 /nfs/dbraw/zinc/09/29/13/136092913.db2.gz NNESJJGZUSKXLN-UHFFFAOYSA-N 1 2 208.265 0.777 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335547349 136096842 /nfs/dbraw/zinc/09/68/42/136096842.db2.gz FIUDBOOFAWQLKX-PWSUYJOCSA-N 1 2 249.314 0.693 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547007 136096884 /nfs/dbraw/zinc/09/68/84/136096884.db2.gz BNABWGOARUSSDK-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCOC1 ZINC000335547990 136096955 /nfs/dbraw/zinc/09/69/55/136096955.db2.gz MVQXSPVIMTZOPR-ZYHUDNBSSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C(N)=O)C1 ZINC000335555663 136099407 /nfs/dbraw/zinc/09/94/07/136099407.db2.gz WDVNBJXZYJJRCW-UHFFFAOYSA-N 1 2 236.275 0.644 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](O)C1 ZINC000335558074 136100391 /nfs/dbraw/zinc/10/03/91/136100391.db2.gz KYEZOXWPYMIBJC-PWSUYJOCSA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335563990 136107008 /nfs/dbraw/zinc/10/70/08/136107008.db2.gz DXAXCXWPWZLFST-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO O=C(NCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335564008 136107126 /nfs/dbraw/zinc/10/71/26/136107126.db2.gz FJJYBZMBMVXYSM-MRVPVSSYSA-N 1 2 211.240 0.531 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@H](C)O)co1 ZINC000382023540 487528787 /nfs/dbraw/zinc/52/87/87/487528787.db2.gz YYZPXHQDDDEIOW-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@H](C)O)co1 ZINC000382023540 487528792 /nfs/dbraw/zinc/52/87/92/487528792.db2.gz YYZPXHQDDDEIOW-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[NH+]1Cc2ccccc2C1 ZINC000155542200 397753844 /nfs/dbraw/zinc/75/38/44/397753844.db2.gz DGGXBLRQARHDOQ-MRVPVSSYSA-N 1 2 233.271 0.586 20 0 BCADLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 ZINC000177024947 397840352 /nfs/dbraw/zinc/84/03/52/397840352.db2.gz NOFCAOVQSBHMKS-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 ZINC000177024947 397840355 /nfs/dbraw/zinc/84/03/55/397840355.db2.gz NOFCAOVQSBHMKS-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@H]1CCNC1=O)CC2 ZINC000650108740 397928964 /nfs/dbraw/zinc/92/89/64/397928964.db2.gz SQPUXDZAUUBFTL-LBPRGKRZSA-N 1 2 246.310 0.942 20 0 BCADLO COc1cccc2c1C[N@H+]([C@H]1CCNC1=O)CC2 ZINC000650108740 397928965 /nfs/dbraw/zinc/92/89/65/397928965.db2.gz SQPUXDZAUUBFTL-LBPRGKRZSA-N 1 2 246.310 0.942 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650186473 397966614 /nfs/dbraw/zinc/96/66/14/397966614.db2.gz MMVFWXOJDMJVBY-NXEZZACHSA-N 1 2 239.323 0.428 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650186473 397966616 /nfs/dbraw/zinc/96/66/16/397966616.db2.gz MMVFWXOJDMJVBY-NXEZZACHSA-N 1 2 239.323 0.428 20 0 BCADLO CC(C)Oc1ccnc(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000649578636 397966987 /nfs/dbraw/zinc/96/69/87/397966987.db2.gz YDAOZOONWGTONP-UHFFFAOYSA-N 1 2 249.314 0.976 20 0 BCADLO CCc1cc(N[C@H](CC)C(=O)NC)nc[nH+]1 ZINC000649564054 397954065 /nfs/dbraw/zinc/95/40/65/397954065.db2.gz MWCOHBDDMWZSHD-SECBINFHSA-N 1 2 222.292 0.976 20 0 BCADLO CO[C@@H]([C@@H](C)Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000388280144 397955536 /nfs/dbraw/zinc/95/55/36/397955536.db2.gz KTLXNUGHAZELSN-MUWHJKNJSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@@H]([C@@H](C)Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000388280144 397955538 /nfs/dbraw/zinc/95/55/38/397955538.db2.gz KTLXNUGHAZELSN-MUWHJKNJSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@H]([C@@H](C)Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000388280142 397955709 /nfs/dbraw/zinc/95/57/09/397955709.db2.gz KTLXNUGHAZELSN-HZGVNTEJSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@H]([C@@H](C)Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000388280142 397955710 /nfs/dbraw/zinc/95/57/10/397955710.db2.gz KTLXNUGHAZELSN-HZGVNTEJSA-N 1 2 237.307 0.240 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1cocn1 ZINC000264099627 397916666 /nfs/dbraw/zinc/91/66/66/397916666.db2.gz ABDVJDPXZZITTF-UHFFFAOYSA-N 1 2 239.275 0.079 20 0 BCADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)nn1 ZINC000414381749 397918086 /nfs/dbraw/zinc/91/80/86/397918086.db2.gz MRAMWTUFIDIVFT-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)nn1 ZINC000414381749 397918092 /nfs/dbraw/zinc/91/80/92/397918092.db2.gz MRAMWTUFIDIVFT-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cocn1 ZINC000264304403 397919582 /nfs/dbraw/zinc/91/95/82/397919582.db2.gz ZRJGRRWGUWQYTE-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO Cn1c(C[N@H+](C)CCO)nnc1-c1ccccc1 ZINC000303257897 398009288 /nfs/dbraw/zinc/00/92/88/398009288.db2.gz JXQRGUMATLMWQW-UHFFFAOYSA-N 1 2 246.314 0.906 20 0 BCADLO Cn1c(C[N@@H+](C)CCO)nnc1-c1ccccc1 ZINC000303257897 398009291 /nfs/dbraw/zinc/00/92/91/398009291.db2.gz JXQRGUMATLMWQW-UHFFFAOYSA-N 1 2 246.314 0.906 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC23CCCC3)n1 ZINC000649657532 398024220 /nfs/dbraw/zinc/02/42/20/398024220.db2.gz CXVDUDWFLQPPLO-UHFFFAOYSA-N 1 2 207.281 0.729 20 0 BCADLO Cn1nnc(C[N@H+]2CCC23CCCC3)n1 ZINC000649657532 398024225 /nfs/dbraw/zinc/02/42/25/398024225.db2.gz CXVDUDWFLQPPLO-UHFFFAOYSA-N 1 2 207.281 0.729 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277010974 398025042 /nfs/dbraw/zinc/02/50/42/398025042.db2.gz YCGRUJGPJXNEMP-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO Cn1ncnc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277010974 398025047 /nfs/dbraw/zinc/02/50/47/398025047.db2.gz YCGRUJGPJXNEMP-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(F)F ZINC000376187020 398025739 /nfs/dbraw/zinc/02/57/39/398025739.db2.gz IVOUTZJRLNMPER-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO Cc1nc(N[C@@H](C)[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000389110064 398026534 /nfs/dbraw/zinc/02/65/34/398026534.db2.gz KLHQNCHOKFCRGR-IONNQARKSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@@H]2CCCOC2)[nH+]1 ZINC000389110064 398026539 /nfs/dbraw/zinc/02/65/39/398026539.db2.gz KLHQNCHOKFCRGR-IONNQARKSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N[C@H](C)[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000389110059 398026705 /nfs/dbraw/zinc/02/67/05/398026705.db2.gz KLHQNCHOKFCRGR-APPZFPTMSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@H]2CCCOC2)[nH+]1 ZINC000389110059 398026707 /nfs/dbraw/zinc/02/67/07/398026707.db2.gz KLHQNCHOKFCRGR-APPZFPTMSA-N 1 2 237.307 0.241 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCCC(F)(F)C1 ZINC000649693258 398041211 /nfs/dbraw/zinc/04/12/11/398041211.db2.gz YQUMVWNPCUZRES-JTQLQIEISA-N 1 2 245.273 0.975 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCCC(F)(F)C1 ZINC000649693258 398041215 /nfs/dbraw/zinc/04/12/15/398041215.db2.gz YQUMVWNPCUZRES-JTQLQIEISA-N 1 2 245.273 0.975 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000649586788 397976199 /nfs/dbraw/zinc/97/61/99/397976199.db2.gz PWTFINDZVWDBQC-UHFFFAOYSA-N 1 2 248.330 0.397 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)C(=O)OC ZINC000362021855 397978660 /nfs/dbraw/zinc/97/86/60/397978660.db2.gz ZXSXXNSUHNNXNR-OUAUKWLOSA-N 1 2 245.319 0.722 20 0 BCADLO NS(=O)(=O)CCC[N@@H+]1CCC=C(F)C1 ZINC000272388817 397978901 /nfs/dbraw/zinc/97/89/01/397978901.db2.gz CPTCLHHMLGPNIE-UHFFFAOYSA-N 1 2 222.285 0.224 20 0 BCADLO NS(=O)(=O)CCC[N@H+]1CCC=C(F)C1 ZINC000272388817 397978904 /nfs/dbraw/zinc/97/89/04/397978904.db2.gz CPTCLHHMLGPNIE-UHFFFAOYSA-N 1 2 222.285 0.224 20 0 BCADLO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)OC ZINC000451774499 397983596 /nfs/dbraw/zinc/98/35/96/397983596.db2.gz OQURGEICDILYOL-AEJSXWLSSA-N 1 2 243.303 0.869 20 0 BCADLO Cc1cncc(CC[N@@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000649600842 397988549 /nfs/dbraw/zinc/98/85/49/397988549.db2.gz UWRQPQLAXUWLLO-NSHDSACASA-N 1 2 248.330 0.490 20 0 BCADLO Cc1cncc(CC[N@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000649600842 397988553 /nfs/dbraw/zinc/98/85/53/397988553.db2.gz UWRQPQLAXUWLLO-NSHDSACASA-N 1 2 248.330 0.490 20 0 BCADLO COC[C@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000595384725 397989211 /nfs/dbraw/zinc/98/92/11/397989211.db2.gz PECVEEBFVNXDLE-VHSXEESVSA-N 1 2 247.335 0.825 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649729578 398068152 /nfs/dbraw/zinc/06/81/52/398068152.db2.gz BZWYUSMOBXFGTH-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649729578 398068156 /nfs/dbraw/zinc/06/81/56/398068156.db2.gz BZWYUSMOBXFGTH-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)[C@@H](C)CO1 ZINC000649731801 398070974 /nfs/dbraw/zinc/07/09/74/398070974.db2.gz NDQOYDCARIROSA-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)[C@@H](C)CO1 ZINC000649731801 398070975 /nfs/dbraw/zinc/07/09/75/398070975.db2.gz NDQOYDCARIROSA-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000248938476 398073393 /nfs/dbraw/zinc/07/33/93/398073393.db2.gz CHHAEPRFDCPORR-WPRPVWTQSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@](C)(O)C1 ZINC000248938476 398073396 /nfs/dbraw/zinc/07/33/96/398073396.db2.gz CHHAEPRFDCPORR-WPRPVWTQSA-N 1 2 225.296 0.118 20 0 BCADLO CCN(CCOCCO)c1cc[nH+]c(C)n1 ZINC000283494816 398074272 /nfs/dbraw/zinc/07/42/72/398074272.db2.gz LFLKHUBPZRORCD-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO Nc1nc(N)c(CN2CCOCC23CCC3)c[nH+]1 ZINC000638096231 398075770 /nfs/dbraw/zinc/07/57/70/398075770.db2.gz GHUNVZCHAWBIBJ-UHFFFAOYSA-N 1 2 249.318 0.057 20 0 BCADLO Cc1n[nH]c(NC(=O)C=CC[NH+](C)C)n1 ZINC000491903822 398076291 /nfs/dbraw/zinc/07/62/91/398076291.db2.gz IFRBXBKPMQPCCH-PLNGDYQASA-N 1 2 209.253 0.169 20 0 BCADLO CO[C@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000389451273 398094458 /nfs/dbraw/zinc/09/44/58/398094458.db2.gz SWEVLFIFAYXTRN-ZCFIWIBFSA-N 1 2 211.269 0.064 20 0 BCADLO CO[C@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000389451273 398094461 /nfs/dbraw/zinc/09/44/61/398094461.db2.gz SWEVLFIFAYXTRN-ZCFIWIBFSA-N 1 2 211.269 0.064 20 0 BCADLO CCn1ccnc1C[N@H+](C)C1CC(O)C1 ZINC000353486853 398078736 /nfs/dbraw/zinc/07/87/36/398078736.db2.gz CJKJPERWHAENJE-UHFFFAOYSA-N 1 2 209.293 0.858 20 0 BCADLO CCn1ccnc1C[N@@H+](C)C1CC(O)C1 ZINC000353486853 398078738 /nfs/dbraw/zinc/07/87/38/398078738.db2.gz CJKJPERWHAENJE-UHFFFAOYSA-N 1 2 209.293 0.858 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285644471 398078980 /nfs/dbraw/zinc/07/89/80/398078980.db2.gz OROWZVNMCLTCJD-VIFPVBQESA-N 1 2 234.303 0.383 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285644471 398078982 /nfs/dbraw/zinc/07/89/82/398078982.db2.gz OROWZVNMCLTCJD-VIFPVBQESA-N 1 2 234.303 0.383 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncccn1 ZINC000649744915 398083198 /nfs/dbraw/zinc/08/31/98/398083198.db2.gz RYCHQPXIGLAPRB-VHSXEESVSA-N 1 2 223.276 0.058 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncccn1 ZINC000649744915 398083200 /nfs/dbraw/zinc/08/32/00/398083200.db2.gz RYCHQPXIGLAPRB-VHSXEESVSA-N 1 2 223.276 0.058 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000291568604 398095571 /nfs/dbraw/zinc/09/55/71/398095571.db2.gz NSZAUOQBHGDXPN-MNOVXSKESA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000291568604 398095572 /nfs/dbraw/zinc/09/55/72/398095572.db2.gz NSZAUOQBHGDXPN-MNOVXSKESA-N 1 2 239.319 0.954 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290987054 398087828 /nfs/dbraw/zinc/08/78/28/398087828.db2.gz WOUOUXDVCZNXIF-GHMZBOCLSA-N 1 2 235.287 0.650 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290987057 398087833 /nfs/dbraw/zinc/08/78/33/398087833.db2.gz WOUOUXDVCZNXIF-WDEREUQCSA-N 1 2 235.287 0.650 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)o1 ZINC000649762470 398090331 /nfs/dbraw/zinc/09/03/31/398090331.db2.gz LODYXTWQZOCFKV-NXEZZACHSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@@H]2COC)o1 ZINC000649762470 398090334 /nfs/dbraw/zinc/09/03/34/398090334.db2.gz LODYXTWQZOCFKV-NXEZZACHSA-N 1 2 240.303 0.819 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccon1 ZINC000649762564 398090424 /nfs/dbraw/zinc/09/04/24/398090424.db2.gz PDTDYGLMGMSXHJ-NXEZZACHSA-N 1 2 212.249 0.256 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccon1 ZINC000649762564 398090428 /nfs/dbraw/zinc/09/04/28/398090428.db2.gz PDTDYGLMGMSXHJ-NXEZZACHSA-N 1 2 212.249 0.256 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)Cn1cc[nH+]c1 ZINC000291208124 398090981 /nfs/dbraw/zinc/09/09/81/398090981.db2.gz IEORDFGDVHWLQI-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO COC[C@@H]([NH2+]CC(F)(F)CO)C1CC1 ZINC000184707816 398051091 /nfs/dbraw/zinc/05/10/91/398051091.db2.gz MZXHDLVDWIUWKT-MRVPVSSYSA-N 1 2 209.236 0.629 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC000185167459 398057034 /nfs/dbraw/zinc/05/70/34/398057034.db2.gz RSNZHIHYYYOAQQ-QMMMGPOBSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC000185167459 398057037 /nfs/dbraw/zinc/05/70/37/398057037.db2.gz RSNZHIHYYYOAQQ-QMMMGPOBSA-N 1 2 210.281 0.324 20 0 BCADLO COC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000648778346 398115936 /nfs/dbraw/zinc/11/59/36/398115936.db2.gz VNXBKYSDRKYDKO-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO CO[C@@](C)(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000292816977 398109459 /nfs/dbraw/zinc/10/94/59/398109459.db2.gz ZMTNOAMHMDMHMQ-GFCCVEGCSA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@](C)(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000292816979 398109486 /nfs/dbraw/zinc/10/94/86/398109486.db2.gz ZMTNOAMHMDMHMQ-LBPRGKRZSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000649802420 398111121 /nfs/dbraw/zinc/11/11/21/398111121.db2.gz MGKPODYXFQWISB-JTQLQIEISA-N 1 2 238.335 0.656 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C2(CCC2)CO1 ZINC000649821412 398122366 /nfs/dbraw/zinc/12/23/66/398122366.db2.gz GXXVXDROXVMOHK-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C2(CCC2)CO1 ZINC000649821412 398122368 /nfs/dbraw/zinc/12/23/68/398122368.db2.gz GXXVXDROXVMOHK-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CCC(O)(CC)CNC(=O)Cc1c[nH+]cn1C ZINC000547863928 398133788 /nfs/dbraw/zinc/13/37/88/398133788.db2.gz DNKBJWXHMBPOIR-UHFFFAOYSA-N 1 2 239.319 0.630 20 0 BCADLO COCC(C)(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336651811 174081982 /nfs/dbraw/zinc/08/19/82/174081982.db2.gz KBXLBAJQEZHADW-UHFFFAOYSA-N 1 2 200.242 0.025 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000685585371 487559277 /nfs/dbraw/zinc/55/92/77/487559277.db2.gz XPSXUVCYDJXTFX-IONNQARKSA-N 1 2 238.291 0.636 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000685585371 487559283 /nfs/dbraw/zinc/55/92/83/487559283.db2.gz XPSXUVCYDJXTFX-IONNQARKSA-N 1 2 238.291 0.636 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000680328138 487562734 /nfs/dbraw/zinc/56/27/34/487562734.db2.gz CFHJVYHEOQZYQW-DTORHVGOSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000680328138 487562738 /nfs/dbraw/zinc/56/27/38/487562738.db2.gz CFHJVYHEOQZYQW-DTORHVGOSA-N 1 2 242.344 0.633 20 0 BCADLO CC(C)OCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000122075730 167188904 /nfs/dbraw/zinc/18/89/04/167188904.db2.gz UEMBCIPIBHCLOY-SNVBAGLBSA-N 1 2 225.292 0.813 20 0 BCADLO CC(C)OCCC(=O)NCc1[nH]cc[nH+]1 ZINC000114340301 167198290 /nfs/dbraw/zinc/19/82/90/167198290.db2.gz SWJDGNOBRGGCQQ-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO Cc1cc(N2CCC3(CNC(=O)C3)CC2)nc[nH+]1 ZINC000674409702 487570946 /nfs/dbraw/zinc/57/09/46/487570946.db2.gz LYGJYIAJIIYHSZ-UHFFFAOYSA-N 1 2 246.314 0.892 20 0 BCADLO CC(C)OCCC(=O)NCc1c[nH+]c[nH]1 ZINC000331081921 167200508 /nfs/dbraw/zinc/20/05/08/167200508.db2.gz MFGBAMXPNKPGIV-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CC(C)OCCC(=O)NCc1c[nH]c[nH+]1 ZINC000331081921 167200511 /nfs/dbraw/zinc/20/05/11/167200511.db2.gz MFGBAMXPNKPGIV-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000668806177 487573611 /nfs/dbraw/zinc/57/36/11/487573611.db2.gz XMGUMTYDLOHWIN-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C1(CO)CCOCC1 ZINC000668806177 487573617 /nfs/dbraw/zinc/57/36/17/487573617.db2.gz XMGUMTYDLOHWIN-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1ccc2[nH+]c(Cn3cc(CO)nn3)cn2c1 ZINC000052222324 487574910 /nfs/dbraw/zinc/57/49/10/487574910.db2.gz JBLOKIFFWMVGRV-UHFFFAOYSA-N 1 2 243.270 0.775 20 0 BCADLO COCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000053258048 322908813 /nfs/dbraw/zinc/90/88/13/322908813.db2.gz ARBHUAYBLKLQKH-SNVBAGLBSA-N 1 2 201.266 0.564 20 0 BCADLO CC(C)OCC[NH+]1CCS(=O)CC1 ZINC000111224810 167235427 /nfs/dbraw/zinc/23/54/27/167235427.db2.gz VJANIFVZOCBVDI-UHFFFAOYSA-N 1 2 205.323 0.476 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000674715561 487608254 /nfs/dbraw/zinc/60/82/54/487608254.db2.gz BINOADGGNBMOFX-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000674715561 487608257 /nfs/dbraw/zinc/60/82/57/487608257.db2.gz BINOADGGNBMOFX-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C[C@H]1F ZINC000653280838 487609595 /nfs/dbraw/zinc/60/95/95/487609595.db2.gz MCOZLWOKXAQKPJ-BWZBUEFSSA-N 1 2 214.240 0.081 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C[C@H]1F ZINC000653280838 487609602 /nfs/dbraw/zinc/60/96/02/487609602.db2.gz MCOZLWOKXAQKPJ-BWZBUEFSSA-N 1 2 214.240 0.081 20 0 BCADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660720549 409647765 /nfs/dbraw/zinc/64/77/65/409647765.db2.gz KHEBAIUZYJRQNK-GXSJLCMTSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660720549 409647774 /nfs/dbraw/zinc/64/77/74/409647774.db2.gz KHEBAIUZYJRQNK-GXSJLCMTSA-N 1 2 224.308 0.704 20 0 BCADLO OC1([C@H]2CCCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC000660768464 409727526 /nfs/dbraw/zinc/72/75/26/409727526.db2.gz QKGMPJLOMRRIIQ-LLVKDONJSA-N 1 2 236.319 0.727 20 0 BCADLO OC1([C@H]2CCCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC000660768464 409727532 /nfs/dbraw/zinc/72/75/32/409727532.db2.gz QKGMPJLOMRRIIQ-LLVKDONJSA-N 1 2 236.319 0.727 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000660799950 409761835 /nfs/dbraw/zinc/76/18/35/409761835.db2.gz YUGZYZFEZXVBOK-GFCCVEGCSA-N 1 2 236.319 0.848 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000660799950 409761839 /nfs/dbraw/zinc/76/18/39/409761839.db2.gz YUGZYZFEZXVBOK-GFCCVEGCSA-N 1 2 236.319 0.848 20 0 BCADLO COCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000655259823 409764806 /nfs/dbraw/zinc/76/48/06/409764806.db2.gz BDRGIZAIDUFFGN-UHFFFAOYSA-N 1 2 223.276 0.875 20 0 BCADLO COC(C)(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660756864 409714629 /nfs/dbraw/zinc/71/46/29/409714629.db2.gz FGJFFUXPVQJOKF-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO COC(C)(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660756864 409714641 /nfs/dbraw/zinc/71/46/41/409714641.db2.gz FGJFFUXPVQJOKF-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO C[C@@H](O)[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660813416 409783717 /nfs/dbraw/zinc/78/37/17/409783717.db2.gz VEBYILKRCCUGRZ-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO Nc1ccnc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625435935 409984050 /nfs/dbraw/zinc/98/40/50/409984050.db2.gz ZFMCFFIYIPNFQO-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)Cc1cn[nH]c1 ZINC000674752775 487612893 /nfs/dbraw/zinc/61/28/93/487612893.db2.gz IUWLBFILBDSBHE-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)Cc1cn[nH]c1 ZINC000674752775 487612896 /nfs/dbraw/zinc/61/28/96/487612896.db2.gz IUWLBFILBDSBHE-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000671539902 487613400 /nfs/dbraw/zinc/61/34/00/487613400.db2.gz RBZZSFFIEAQPKG-MRVPVSSYSA-N 1 2 236.275 0.222 20 0 BCADLO NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000671539902 487613407 /nfs/dbraw/zinc/61/34/07/487613407.db2.gz RBZZSFFIEAQPKG-MRVPVSSYSA-N 1 2 236.275 0.222 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](O)C(C)C ZINC000572617214 410098443 /nfs/dbraw/zinc/09/84/43/410098443.db2.gz WBVHQWZPVQYWLA-QMMMGPOBSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](O)C(C)C ZINC000572617214 410098449 /nfs/dbraw/zinc/09/84/49/410098449.db2.gz WBVHQWZPVQYWLA-QMMMGPOBSA-N 1 2 240.307 0.886 20 0 BCADLO CCc1nc(C[NH2+][C@H](CO)C2CCC2)no1 ZINC000661153023 410306692 /nfs/dbraw/zinc/30/66/92/410306692.db2.gz FGOVEOPPHSNJFK-SECBINFHSA-N 1 2 225.292 0.883 20 0 BCADLO COc1c(N)[nH+]cnc1NC/C=C\CO ZINC000664237063 410523284 /nfs/dbraw/zinc/52/32/84/410523284.db2.gz QBUQSQIGYWEOGF-IHWYPQMZSA-N 1 2 210.237 0.028 20 0 BCADLO COc1c(N)nc[nH+]c1NC/C=C\CO ZINC000664237063 410523289 /nfs/dbraw/zinc/52/32/89/410523289.db2.gz QBUQSQIGYWEOGF-IHWYPQMZSA-N 1 2 210.237 0.028 20 0 BCADLO C[C@H](CCO)N(C)C(=O)NCc1[nH+]ccn1C ZINC000650838628 410530569 /nfs/dbraw/zinc/53/05/69/410530569.db2.gz RYENFYVFHIDCSI-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](O)C1 ZINC000664642271 410613070 /nfs/dbraw/zinc/61/30/70/410613070.db2.gz AEDNNWYCLVQATN-IZLXSQMJSA-N 1 2 210.237 0.003 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](O)C1 ZINC000664642271 410613073 /nfs/dbraw/zinc/61/30/73/410613073.db2.gz AEDNNWYCLVQATN-IZLXSQMJSA-N 1 2 210.237 0.003 20 0 BCADLO O[C@@H]1CCN(CCCn2cc[nH+]c2)CC1(F)F ZINC000661410183 410621393 /nfs/dbraw/zinc/62/13/93/410621393.db2.gz RHSMOEWIEUYVJL-SNVBAGLBSA-N 1 2 245.273 0.975 20 0 BCADLO COC[C@@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000665105175 410692169 /nfs/dbraw/zinc/69/21/69/410692169.db2.gz JMMGGMRWHOACDJ-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651083608 410787592 /nfs/dbraw/zinc/78/75/92/410787592.db2.gz GCQMAPKDLUTREM-SECBINFHSA-N 1 2 237.303 0.259 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N=c1cc[nH][nH]1 ZINC000651198852 410859904 /nfs/dbraw/zinc/85/99/04/410859904.db2.gz LNDFIRSUGQETFV-UHFFFAOYSA-N 1 2 245.286 0.546 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000028659924 167049330 /nfs/dbraw/zinc/04/93/30/167049330.db2.gz CLMATXHIWNGAKB-SECBINFHSA-N 1 2 241.335 0.110 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000028659924 167049334 /nfs/dbraw/zinc/04/93/34/167049334.db2.gz CLMATXHIWNGAKB-SECBINFHSA-N 1 2 241.335 0.110 20 0 BCADLO CC(C)NC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276691900 167053945 /nfs/dbraw/zinc/05/39/45/167053945.db2.gz QFZLHCFMZVSCQU-ONEGZZNKSA-N 1 2 236.275 0.064 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1nccn1C ZINC000070007685 167059228 /nfs/dbraw/zinc/05/92/28/167059228.db2.gz QAMRLKIOPUJYHE-VIFPVBQESA-N 1 2 224.308 0.595 20 0 BCADLO CCOCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396929741 410905789 /nfs/dbraw/zinc/90/57/89/410905789.db2.gz WZKAUBIBPOPVNC-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO CCOCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396929741 410905801 /nfs/dbraw/zinc/90/58/01/410905801.db2.gz WZKAUBIBPOPVNC-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000061759200 167372384 /nfs/dbraw/zinc/37/23/84/167372384.db2.gz OEJYTZFMHJDIMZ-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000061759200 167372387 /nfs/dbraw/zinc/37/23/87/167372387.db2.gz OEJYTZFMHJDIMZ-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)on1 ZINC000041904549 410943121 /nfs/dbraw/zinc/94/31/21/410943121.db2.gz PXMMCIFQVBPNKJ-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO CC(C)(C)n1nnc(COCc2[nH]cc[nH+]2)n1 ZINC000655496060 410928762 /nfs/dbraw/zinc/92/87/62/410928762.db2.gz BRDBUAPHVVJLFE-UHFFFAOYSA-N 1 2 236.279 0.868 20 0 BCADLO CC(C)CO[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000042377866 410996704 /nfs/dbraw/zinc/99/67/04/410996704.db2.gz HHWNZWWQZFCGPA-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@@H](O)C2)c1 ZINC000042470060 411006379 /nfs/dbraw/zinc/00/63/79/411006379.db2.gz RAFMATDDLJPAHK-SNVBAGLBSA-N 1 2 208.261 0.535 20 0 BCADLO Cc1nnsc1C[N@H+](C)C[C@H]1COCCO1 ZINC000661615113 411059295 /nfs/dbraw/zinc/05/92/95/411059295.db2.gz WNQMKVMXXXUGJZ-VIFPVBQESA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nnsc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000661615113 411059301 /nfs/dbraw/zinc/05/93/01/411059301.db2.gz WNQMKVMXXXUGJZ-VIFPVBQESA-N 1 2 243.332 0.694 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000399200411 411025851 /nfs/dbraw/zinc/02/58/51/411025851.db2.gz NCEYQDWZEKAOAW-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO Cc1noc(C[N@H+]2C[C@H](O)CC[C@H]2C)n1 ZINC000399233564 411026731 /nfs/dbraw/zinc/02/67/31/411026731.db2.gz GXHVHKPLVYTAOA-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@H](O)CC[C@H]2C)n1 ZINC000399233564 411026736 /nfs/dbraw/zinc/02/67/36/411026736.db2.gz GXHVHKPLVYTAOA-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO O[C@]1(CC[NH2+]Cc2ccn[nH]2)CCCOC1 ZINC000652040103 411087439 /nfs/dbraw/zinc/08/74/39/411087439.db2.gz WWRISKJWLZTAMO-NSHDSACASA-N 1 2 225.292 0.431 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000652039490 411090164 /nfs/dbraw/zinc/09/01/64/411090164.db2.gz HFDBEWUDYQQIEB-GFCCVEGCSA-N 1 2 239.319 0.739 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635445637 411113225 /nfs/dbraw/zinc/11/32/25/411113225.db2.gz YEQWEHKFVWQCNM-RNFRBKRXSA-N 1 2 217.232 0.875 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635445637 411113227 /nfs/dbraw/zinc/11/32/27/411113227.db2.gz YEQWEHKFVWQCNM-RNFRBKRXSA-N 1 2 217.232 0.875 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCOC1 ZINC000651565649 411124052 /nfs/dbraw/zinc/12/40/52/411124052.db2.gz WSWWYVCQEJNVSK-JTQLQIEISA-N 1 2 249.314 0.667 20 0 BCADLO COC[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000518562755 411126979 /nfs/dbraw/zinc/12/69/79/411126979.db2.gz NVSULUCYCPYFQD-LLVKDONJSA-N 1 2 225.292 0.903 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)CO1 ZINC000652772504 411167942 /nfs/dbraw/zinc/16/79/42/411167942.db2.gz OFKWFDZCAUBGHI-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC=C(C)C1 ZINC000660462317 411171500 /nfs/dbraw/zinc/17/15/00/411171500.db2.gz MIEDRAPPMFLFMK-WDEREUQCSA-N 1 2 245.344 0.450 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC=C(C)C1 ZINC000660462317 411171502 /nfs/dbraw/zinc/17/15/02/411171502.db2.gz MIEDRAPPMFLFMK-WDEREUQCSA-N 1 2 245.344 0.450 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](O)C2)[nH]1 ZINC000659878562 411172572 /nfs/dbraw/zinc/17/25/72/411172572.db2.gz MTTRYNRVAHOTCL-SFYZADRCSA-N 1 2 210.281 0.495 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](O)C2)[nH]1 ZINC000659878562 411172574 /nfs/dbraw/zinc/17/25/74/411172574.db2.gz MTTRYNRVAHOTCL-SFYZADRCSA-N 1 2 210.281 0.495 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)O1 ZINC000660464756 411172762 /nfs/dbraw/zinc/17/27/62/411172762.db2.gz SWBZLMSEPBXXHD-MRVPVSSYSA-N 1 2 249.274 0.878 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)O1 ZINC000660464756 411172763 /nfs/dbraw/zinc/17/27/63/411172763.db2.gz SWBZLMSEPBXXHD-MRVPVSSYSA-N 1 2 249.274 0.878 20 0 BCADLO C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000656094694 411176030 /nfs/dbraw/zinc/17/60/30/411176030.db2.gz WPGFHLHJCIDLHQ-JGZJWPJOSA-N 1 2 249.314 0.954 20 0 BCADLO Cn1cnc(NCCn2cc[nH+]c2)cc1=O ZINC000656106088 411179438 /nfs/dbraw/zinc/17/94/38/411179438.db2.gz LZRXMIABCBYTCC-UHFFFAOYSA-N 1 2 219.248 0.089 20 0 BCADLO COc1c(C)[nH+]cnc1NCCCNC(C)=O ZINC000656107330 411179465 /nfs/dbraw/zinc/17/94/65/411179465.db2.gz MBCNAJIGPKJNAH-UHFFFAOYSA-N 1 2 238.291 0.732 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1CCn2nncc2C1 ZINC000653794617 411181156 /nfs/dbraw/zinc/18/11/56/411181156.db2.gz HMKUYEBMJFZMSV-UHFFFAOYSA-N 1 2 249.318 0.106 20 0 BCADLO O=C1CCCN1CCC[N@H+]1CCn2nncc2C1 ZINC000653794617 411181158 /nfs/dbraw/zinc/18/11/58/411181158.db2.gz HMKUYEBMJFZMSV-UHFFFAOYSA-N 1 2 249.318 0.106 20 0 BCADLO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC(=O)N1C ZINC000660483376 411243282 /nfs/dbraw/zinc/24/32/82/411243282.db2.gz OTIMTUORABSGBW-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC(=O)N1C ZINC000660483376 411243285 /nfs/dbraw/zinc/24/32/85/411243285.db2.gz OTIMTUORABSGBW-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO Cc1cc(NC(=O)N2CCO[C@H]3C[C@H]32)cc[nH+]1 ZINC000652794236 411182099 /nfs/dbraw/zinc/18/20/99/411182099.db2.gz YCQSDGBRSAHBGK-MNOVXSKESA-N 1 2 233.271 0.817 20 0 BCADLO COC[C@@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656125432 411183041 /nfs/dbraw/zinc/18/30/41/411183041.db2.gz KZCDNDQYKSFXKE-NSHDSACASA-N 1 2 241.291 0.603 20 0 BCADLO CC(C)(O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656127456 411183053 /nfs/dbraw/zinc/18/30/53/411183053.db2.gz JNPRQSXPCJDGNM-UHFFFAOYSA-N 1 2 227.312 0.289 20 0 BCADLO COc1c(C)[nH+]cnc1NCCc1nnc[nH]1 ZINC000656147029 411185913 /nfs/dbraw/zinc/18/59/13/411185913.db2.gz XOOLYOICMLESJX-UHFFFAOYSA-N 1 2 234.263 0.566 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCn1ncnn1 ZINC000656146759 411186310 /nfs/dbraw/zinc/18/63/10/411186310.db2.gz NFIONKMLERTWND-UHFFFAOYSA-N 1 2 219.252 0.192 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H]1CCOC1 ZINC000656149706 411186901 /nfs/dbraw/zinc/18/69/01/411186901.db2.gz KTKZICWXWVIYHH-MRVPVSSYSA-N 1 2 209.249 0.994 20 0 BCADLO OCC(F)(F)CN[C@@H]1CCCn2cc[nH+]c21 ZINC000655756402 411187165 /nfs/dbraw/zinc/18/71/65/411187165.db2.gz FAROEHHMOVVQPE-MRVPVSSYSA-N 1 2 231.246 0.935 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1CCOC1 ZINC000656149707 411187115 /nfs/dbraw/zinc/18/71/15/411187115.db2.gz KTKZICWXWVIYHH-QMMMGPOBSA-N 1 2 209.249 0.994 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC=CCC1 ZINC000656153779 411188528 /nfs/dbraw/zinc/18/85/28/411188528.db2.gz NEJFGECFSWYJQI-UHFFFAOYSA-N 1 2 206.249 0.834 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC=CCC1 ZINC000656153779 411188529 /nfs/dbraw/zinc/18/85/29/411188529.db2.gz NEJFGECFSWYJQI-UHFFFAOYSA-N 1 2 206.249 0.834 20 0 BCADLO COc1c(C)[nH+]cnc1NCc1cn(C)nn1 ZINC000656156724 411190485 /nfs/dbraw/zinc/19/04/85/411190485.db2.gz RYCYPNVSEPSKFT-UHFFFAOYSA-N 1 2 234.263 0.534 20 0 BCADLO CCn1ccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000640358252 411190571 /nfs/dbraw/zinc/19/05/71/411190571.db2.gz YJKYKTRBBRWDMB-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000656184700 411196007 /nfs/dbraw/zinc/19/60/07/411196007.db2.gz FSAZGHWKSQCOPF-AOOOYVTPSA-N 1 2 235.287 0.876 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H](F)C1 ZINC000656194200 411199173 /nfs/dbraw/zinc/19/91/73/411199173.db2.gz DPBUOIZJIRCTJD-LURJTMIESA-N 1 2 236.254 0.494 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(N)nc1 ZINC000062330738 411203070 /nfs/dbraw/zinc/20/30/70/411203070.db2.gz FCSFIBCLMFEHQS-UHFFFAOYSA-N 1 2 245.286 0.670 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H]([C@@H](C)O)C1 ZINC000656201851 411207756 /nfs/dbraw/zinc/20/77/56/411207756.db2.gz QNWDGEWZSFTQQI-MWLCHTKSSA-N 1 2 237.303 0.679 20 0 BCADLO CC[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656204685 411208744 /nfs/dbraw/zinc/20/87/44/411208744.db2.gz DJDYXVKKLLJJIL-MRVPVSSYSA-N 1 2 211.265 0.976 20 0 BCADLO Cc1noc(CN(C)Cc2c[nH+]cn2C)n1 ZINC000653890464 411209846 /nfs/dbraw/zinc/20/98/46/411209846.db2.gz AZLLDBORKSWIAL-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@](C)(CO)OC ZINC000656208560 411209851 /nfs/dbraw/zinc/20/98/51/411209851.db2.gz NOLISWCMRIREFV-LLVKDONJSA-N 1 2 241.291 0.603 20 0 BCADLO Cc1noc(C[N@@H+](C)CCc2ccnn2C)n1 ZINC000653889246 411210294 /nfs/dbraw/zinc/21/02/94/411210294.db2.gz WMDQNIPZCIDCQH-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1noc(C[N@H+](C)CCc2ccnn2C)n1 ZINC000653889246 411210300 /nfs/dbraw/zinc/21/03/00/411210300.db2.gz WMDQNIPZCIDCQH-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1nc(N[C@H]2CCc3c(nnn3C)C2)cc[nH+]1 ZINC000656219654 411212372 /nfs/dbraw/zinc/21/23/72/411212372.db2.gz XEGBZNGBEUJLAU-VIFPVBQESA-N 1 2 244.302 0.883 20 0 BCADLO C[C@H](O)CN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC000656227814 411214056 /nfs/dbraw/zinc/21/40/56/411214056.db2.gz QRXWYBWZGBVMDW-QMMMGPOBSA-N 1 2 247.302 0.713 20 0 BCADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H](C)O1 ZINC000631115168 411246419 /nfs/dbraw/zinc/24/64/19/411246419.db2.gz IYPYDNFBNPYSIN-CBAPKCEASA-N 1 2 237.307 0.766 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@H](C)O1 ZINC000631115168 411246423 /nfs/dbraw/zinc/24/64/23/411246423.db2.gz IYPYDNFBNPYSIN-CBAPKCEASA-N 1 2 237.307 0.766 20 0 BCADLO COCc1noc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653902212 411217893 /nfs/dbraw/zinc/21/78/93/411217893.db2.gz NLCNIFAZDICTSL-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653902212 411217896 /nfs/dbraw/zinc/21/78/96/411217896.db2.gz NLCNIFAZDICTSL-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO Cn1c[nH+]c(CN2CCOC[C@]23CCOC3)c1 ZINC000660475905 411230669 /nfs/dbraw/zinc/23/06/69/411230669.db2.gz CQQCFQGMPMIRIP-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cc1nccc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000525193370 411232560 /nfs/dbraw/zinc/23/25/60/411232560.db2.gz QHGFLLLVOQQMBZ-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000525193370 411232567 /nfs/dbraw/zinc/23/25/67/411232567.db2.gz QHGFLLLVOQQMBZ-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO C[C@H](CC(=O)N1CC[C@@H](O)[C@H]1C)n1cc[nH+]c1 ZINC000652417749 411237349 /nfs/dbraw/zinc/23/73/49/411237349.db2.gz ZXCAZUKUWWMWPI-GMTAPVOTSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1nc(NCC2(CC(N)=O)CC2)cc[nH+]1 ZINC000420610304 411165040 /nfs/dbraw/zinc/16/50/40/411165040.db2.gz MRRPGJMKVDLIMH-UHFFFAOYSA-N 1 2 220.276 0.853 20 0 BCADLO C[N@H+](CCO)Cc1cn(C2CCCC2)nn1 ZINC000656462253 411270156 /nfs/dbraw/zinc/27/01/56/411270156.db2.gz BQJAAKOZWZNGGD-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C2CCCC2)nn1 ZINC000656462253 411270161 /nfs/dbraw/zinc/27/01/61/411270161.db2.gz BQJAAKOZWZNGGD-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000658159045 411272205 /nfs/dbraw/zinc/27/22/05/411272205.db2.gz MUUOJSBYKXZMBN-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)[C@@H]2CCCO2)[nH]1 ZINC000658159045 411272207 /nfs/dbraw/zinc/27/22/07/411272207.db2.gz MUUOJSBYKXZMBN-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO c1cn(Cc2cn(CC3CC3)nn2)c[nH+]1 ZINC000656465247 411273471 /nfs/dbraw/zinc/27/34/71/411273471.db2.gz YWKZHZANNWGOBN-UHFFFAOYSA-N 1 2 203.249 0.933 20 0 BCADLO COCC[N@H+](C)Cc1cn(CCCCO)nn1 ZINC000656451239 411274074 /nfs/dbraw/zinc/27/40/74/411274074.db2.gz MTEJHBVZGYLJSR-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CCCCO)nn1 ZINC000656451239 411274078 /nfs/dbraw/zinc/27/40/78/411274078.db2.gz MTEJHBVZGYLJSR-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000516473864 411279906 /nfs/dbraw/zinc/27/99/06/411279906.db2.gz ZODOHSHSGLGAPR-UHFFFAOYSA-N 1 2 245.286 0.934 20 0 BCADLO Cn1ncnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000653462871 411280171 /nfs/dbraw/zinc/28/01/71/411280171.db2.gz PSYMCZJTGVSDSA-UHFFFAOYSA-N 1 2 247.302 0.730 20 0 BCADLO Cc1nc(N2CCS[C@H](C)C2)nc(N)[nH+]1 ZINC000379790405 411283372 /nfs/dbraw/zinc/28/33/72/411283372.db2.gz GWFKOMAVZGNTSU-ZCFIWIBFSA-N 1 2 225.321 0.704 20 0 BCADLO Cc1nc(N)nc(N2CCS[C@H](C)C2)[nH+]1 ZINC000379790405 411283374 /nfs/dbraw/zinc/28/33/74/411283374.db2.gz GWFKOMAVZGNTSU-ZCFIWIBFSA-N 1 2 225.321 0.704 20 0 BCADLO Cc1nc(N2CCC[C@](C)(O)CC2)nc(N)[nH+]1 ZINC000393824547 411283786 /nfs/dbraw/zinc/28/37/86/411283786.db2.gz CDCLTBBTLSMFHV-NSHDSACASA-N 1 2 237.307 0.504 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@](C)(O)CC2)[nH+]1 ZINC000393824547 411283790 /nfs/dbraw/zinc/28/37/90/411283790.db2.gz CDCLTBBTLSMFHV-NSHDSACASA-N 1 2 237.307 0.504 20 0 BCADLO CC(=O)NCCCNc1nc(C)[nH+]cc1C ZINC000564462565 411292211 /nfs/dbraw/zinc/29/22/11/411292211.db2.gz PVDRENRDIIPEHZ-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BCADLO Cc1cc(C[NH+]2CCOCC2)nc(C)n1 ZINC000659814282 411301166 /nfs/dbraw/zinc/30/11/66/411301166.db2.gz PQBNQBWSHDTUAL-UHFFFAOYSA-N 1 2 207.277 0.926 20 0 BCADLO Nc1[nH+]cnc(NC[C@@H](CO)C2CC2)c1Cl ZINC000336658363 411313388 /nfs/dbraw/zinc/31/33/88/411313388.db2.gz ISVFYQMNQUKNOT-ZETCQYMHSA-N 1 2 242.710 1.143 20 0 BCADLO Nc1nc[nH+]c(NC[C@@H](CO)C2CC2)c1Cl ZINC000336658363 411313390 /nfs/dbraw/zinc/31/33/90/411313390.db2.gz ISVFYQMNQUKNOT-ZETCQYMHSA-N 1 2 242.710 1.143 20 0 BCADLO Cc1nc(NCc2ccc(C(N)=O)cc2)cc[nH+]1 ZINC000361149436 411315932 /nfs/dbraw/zinc/31/59/32/411315932.db2.gz KOYHIHNVRNXTKX-UHFFFAOYSA-N 1 2 242.282 1.496 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000660488348 411320828 /nfs/dbraw/zinc/32/08/28/411320828.db2.gz GGWARQYESWZLDL-ONGXEEELSA-N 1 2 230.283 0.014 20 0 BCADLO CCN1CC[C@H]([N@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000660488348 411320830 /nfs/dbraw/zinc/32/08/30/411320830.db2.gz GGWARQYESWZLDL-ONGXEEELSA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1cscn1 ZINC000656682497 411321424 /nfs/dbraw/zinc/32/14/24/411321424.db2.gz SQQDMEIXYIDTFY-BQBZGAKWSA-N 1 2 211.290 0.682 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000659839405 411322730 /nfs/dbraw/zinc/32/27/30/411322730.db2.gz WODHGUNRDHXMDS-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000659839405 411322733 /nfs/dbraw/zinc/32/27/33/411322733.db2.gz WODHGUNRDHXMDS-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO COc1cc(C[N@@H+](CC(N)=O)CC(C)C)on1 ZINC000659839689 411325169 /nfs/dbraw/zinc/32/51/69/411325169.db2.gz WPBOOSSBGQSQOO-UHFFFAOYSA-N 1 2 241.291 0.627 20 0 BCADLO COc1cc(C[N@H+](CC(N)=O)CC(C)C)on1 ZINC000659839689 411325170 /nfs/dbraw/zinc/32/51/70/411325170.db2.gz WPBOOSSBGQSQOO-UHFFFAOYSA-N 1 2 241.291 0.627 20 0 BCADLO CC(C)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656443169 411251058 /nfs/dbraw/zinc/25/10/58/411251058.db2.gz VDYRGPQZQMVSRT-UHFFFAOYSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C(C)(C)C[NH3+] ZINC000050183012 411253583 /nfs/dbraw/zinc/25/35/83/411253583.db2.gz BUQGMKVNAABDPC-UHFFFAOYSA-N 1 2 238.335 0.752 20 0 BCADLO CCC[N@H+](CC(C)=O)CC(=O)N(C)C ZINC000050158559 411254293 /nfs/dbraw/zinc/25/42/93/411254293.db2.gz KNZXEWPPEQGCCB-UHFFFAOYSA-N 1 2 200.282 0.376 20 0 BCADLO CCC[N@@H+](CC(C)=O)CC(=O)N(C)C ZINC000050158559 411254294 /nfs/dbraw/zinc/25/42/94/411254294.db2.gz KNZXEWPPEQGCCB-UHFFFAOYSA-N 1 2 200.282 0.376 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCCN(C)C1=O ZINC000660141217 411256688 /nfs/dbraw/zinc/25/66/88/411256688.db2.gz AETUCXCOGRZREB-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000660144153 411258121 /nfs/dbraw/zinc/25/81/21/411258121.db2.gz RFRFYFHEHDITCL-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000660144153 411258122 /nfs/dbraw/zinc/25/81/22/411258122.db2.gz RFRFYFHEHDITCL-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660261964 411349704 /nfs/dbraw/zinc/34/97/04/411349704.db2.gz CDFXNWRQDMXYHB-RKDXNWHRSA-N 1 2 240.307 0.815 20 0 BCADLO Cc1cnc(C)nc1NC[C@H]1C[N@H+](C)CCO1 ZINC000576885797 411351854 /nfs/dbraw/zinc/35/18/54/411351854.db2.gz FYXPXMSGFAIFRH-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)nc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000576885797 411351858 /nfs/dbraw/zinc/35/18/58/411351858.db2.gz FYXPXMSGFAIFRH-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662038183 411352512 /nfs/dbraw/zinc/35/25/12/411352512.db2.gz VRBHTPHHMABMMC-NXEZZACHSA-N 1 2 222.292 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662038183 411352516 /nfs/dbraw/zinc/35/25/16/411352516.db2.gz VRBHTPHHMABMMC-NXEZZACHSA-N 1 2 222.292 0.581 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000659328819 411358602 /nfs/dbraw/zinc/35/86/02/411358602.db2.gz JCAJMNNGTISRJV-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)CCO ZINC000652958813 411363244 /nfs/dbraw/zinc/36/32/44/411363244.db2.gz RPZHAMSWYSGYCY-QMMMGPOBSA-N 1 2 225.292 0.490 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000652958855 411363837 /nfs/dbraw/zinc/36/38/37/411363837.db2.gz SMEYCNGNZMWXFY-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000652958855 411363839 /nfs/dbraw/zinc/36/38/39/411363839.db2.gz SMEYCNGNZMWXFY-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO COCC1(O)CN(Cc2c[nH+]c3ccccn23)C1 ZINC000656811169 411373573 /nfs/dbraw/zinc/37/35/73/411373573.db2.gz WQAPNWPMRDWABS-UHFFFAOYSA-N 1 2 247.298 0.527 20 0 BCADLO CCN1OC[C@H]([N@H+](C)C[C@H]2CCCO2)C1=O ZINC000660280710 411368550 /nfs/dbraw/zinc/36/85/50/411368550.db2.gz UGIKZSSWVZKFQM-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)C[C@H]2CCCO2)C1=O ZINC000660280710 411368554 /nfs/dbraw/zinc/36/85/54/411368554.db2.gz UGIKZSSWVZKFQM-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO FC(F)COCCN1CCn2c[nH+]cc2C1 ZINC000660581288 411334920 /nfs/dbraw/zinc/33/49/20/411334920.db2.gz ACPOWDYBGJFSHD-UHFFFAOYSA-N 1 2 231.246 0.980 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H](CO)CCF ZINC000652917081 411337214 /nfs/dbraw/zinc/33/72/14/411337214.db2.gz PROREEKQILFPHW-SNVBAGLBSA-N 1 2 243.282 0.500 20 0 BCADLO CO[C@@H](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660587549 411341535 /nfs/dbraw/zinc/34/15/35/411341535.db2.gz CHYTVCJVNGQTDM-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CO[C@@H](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660587549 411341537 /nfs/dbraw/zinc/34/15/37/411341537.db2.gz CHYTVCJVNGQTDM-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000361159874 168006030 /nfs/dbraw/zinc/00/60/30/168006030.db2.gz QUEPLQAUCVJSPN-SECBINFHSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC1(CO)CCC1 ZINC000652930983 411347411 /nfs/dbraw/zinc/34/74/11/411347411.db2.gz NBQOAYMNWXNJLK-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO CCN1CC[C@@H]([NH+]2CCN(C3CC3)CC2)C1=O ZINC000659857514 411349020 /nfs/dbraw/zinc/34/90/20/411349020.db2.gz OYZPMHUPUWOCEJ-GFCCVEGCSA-N 1 2 237.347 0.387 20 0 BCADLO CC1(O)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284349278 168067422 /nfs/dbraw/zinc/06/74/22/168067422.db2.gz JYMZJBXOHXWSTP-NSCUHMNNSA-N 1 2 207.233 0.016 20 0 BCADLO CC1=CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000336378581 168107000 /nfs/dbraw/zinc/10/70/00/168107000.db2.gz LEHMRLORDZOFKW-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CCOCC[N@H+](CC)[C@H]1CON(CC)C1=O ZINC000659910916 411380170 /nfs/dbraw/zinc/38/01/70/411380170.db2.gz XNQOWQJTBHXGMS-JTQLQIEISA-N 1 2 230.308 0.507 20 0 BCADLO CCOCC[N@@H+](CC)[C@H]1CON(CC)C1=O ZINC000659910916 411380173 /nfs/dbraw/zinc/38/01/73/411380173.db2.gz XNQOWQJTBHXGMS-JTQLQIEISA-N 1 2 230.308 0.507 20 0 BCADLO CCOCC[N@H+](CC)[C@@H]1CON(CC)C1=O ZINC000659910918 411380267 /nfs/dbraw/zinc/38/02/67/411380267.db2.gz XNQOWQJTBHXGMS-SNVBAGLBSA-N 1 2 230.308 0.507 20 0 BCADLO CCOCC[N@@H+](CC)[C@@H]1CON(CC)C1=O ZINC000659910918 411380270 /nfs/dbraw/zinc/38/02/70/411380270.db2.gz XNQOWQJTBHXGMS-SNVBAGLBSA-N 1 2 230.308 0.507 20 0 BCADLO CC1=CC[N@H+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000270121023 168114825 /nfs/dbraw/zinc/11/48/25/168114825.db2.gz FWGWREVCCWSEAY-UHFFFAOYSA-N 1 2 248.334 0.672 20 0 BCADLO CC1=CC[N@@H+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000270121023 168114827 /nfs/dbraw/zinc/11/48/27/168114827.db2.gz FWGWREVCCWSEAY-UHFFFAOYSA-N 1 2 248.334 0.672 20 0 BCADLO CC1=CC[N@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000336489877 168115332 /nfs/dbraw/zinc/11/53/32/168115332.db2.gz ZZQXLBODXJZKKR-UHFFFAOYSA-N 1 2 208.265 0.260 20 0 BCADLO CC1=CC[N@@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000336489877 168115335 /nfs/dbraw/zinc/11/53/35/168115335.db2.gz ZZQXLBODXJZKKR-UHFFFAOYSA-N 1 2 208.265 0.260 20 0 BCADLO CC1=CC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC000276176103 168117161 /nfs/dbraw/zinc/11/71/61/168117161.db2.gz GALQLVBQEYOONW-SECBINFHSA-N 1 2 207.281 0.923 20 0 BCADLO CC1=CC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC000276176103 168117164 /nfs/dbraw/zinc/11/71/64/168117164.db2.gz GALQLVBQEYOONW-SECBINFHSA-N 1 2 207.281 0.923 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCn1cc[nH+]c1 ZINC000652962528 411375074 /nfs/dbraw/zinc/37/50/74/411375074.db2.gz NYGDRKRTKIZEFX-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000330862932 168198116 /nfs/dbraw/zinc/19/81/16/168198116.db2.gz QPHQRSZSXBGZNH-NSHDSACASA-N 1 2 242.319 0.193 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000330862932 168198121 /nfs/dbraw/zinc/19/81/21/168198121.db2.gz QPHQRSZSXBGZNH-NSHDSACASA-N 1 2 242.319 0.193 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000300064458 168198140 /nfs/dbraw/zinc/19/81/40/168198140.db2.gz YDUSZJZXMUWGQS-NSHDSACASA-N 1 2 226.320 0.956 20 0 BCADLO CCC(=O)CCC[N@H+]1CCNC(=O)[C@@H]1CC ZINC000300064458 168198142 /nfs/dbraw/zinc/19/81/42/168198142.db2.gz YDUSZJZXMUWGQS-NSHDSACASA-N 1 2 226.320 0.956 20 0 BCADLO CCC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284353450 168204993 /nfs/dbraw/zinc/20/49/93/168204993.db2.gz KGGZONSKSYALTI-ONEGZZNKSA-N 1 2 207.233 0.518 20 0 BCADLO CCC(=O)N1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111204743 168216503 /nfs/dbraw/zinc/21/65/03/168216503.db2.gz YEYQUPJSBHRLIX-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CCC[N@H+](CCO)Cc1nnn(C(C)(C)C)n1 ZINC000653495250 411391146 /nfs/dbraw/zinc/39/11/46/411391146.db2.gz BZRXFBPNXIORJU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnn(C(C)(C)C)n1 ZINC000653495250 411391149 /nfs/dbraw/zinc/39/11/49/411391149.db2.gz BZRXFBPNXIORJU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO CCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000335708703 168221979 /nfs/dbraw/zinc/22/19/79/168221979.db2.gz SUVSWXJCZULFSH-NSHDSACASA-N 1 2 219.288 0.965 20 0 BCADLO CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855509 168231959 /nfs/dbraw/zinc/23/19/59/168231959.db2.gz KZJSCLKMHYQACQ-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114855509 168231960 /nfs/dbraw/zinc/23/19/60/168231960.db2.gz KZJSCLKMHYQACQ-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000332518004 168295010 /nfs/dbraw/zinc/29/50/10/168295010.db2.gz QEXULOTXVNWKLE-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000332518004 168295012 /nfs/dbraw/zinc/29/50/12/168295012.db2.gz QEXULOTXVNWKLE-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CCC(C)(C)[NH2+]N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000368574542 168298874 /nfs/dbraw/zinc/29/88/74/168298874.db2.gz KJBHBPUEDGATSF-VHSXEESVSA-N 1 2 246.376 0.799 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)NC2CC2)[nH]c1C ZINC000657305671 411456786 /nfs/dbraw/zinc/45/67/86/411456786.db2.gz QMAMFWKIVNBSJZ-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO Cc1[nH]c(CNCC(=O)NC2CC2)[nH+]c1C ZINC000657305671 411456788 /nfs/dbraw/zinc/45/67/88/411456788.db2.gz QMAMFWKIVNBSJZ-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO C[C@@H]1C[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285778790 411457428 /nfs/dbraw/zinc/45/74/28/411457428.db2.gz CKCVZMXWJKSWMK-WEDXCCLWSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@@H]1C[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285778790 411457430 /nfs/dbraw/zinc/45/74/30/411457430.db2.gz CKCVZMXWJKSWMK-WEDXCCLWSA-N 1 2 248.286 0.529 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000268208077 411422842 /nfs/dbraw/zinc/42/28/42/411422842.db2.gz JOKUNDLQDHLAAN-VIFPVBQESA-N 1 2 223.276 0.311 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](O)C2)n1 ZINC000268208077 411422845 /nfs/dbraw/zinc/42/28/45/411422845.db2.gz JOKUNDLQDHLAAN-VIFPVBQESA-N 1 2 223.276 0.311 20 0 BCADLO COC(=O)C(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000268207863 411422871 /nfs/dbraw/zinc/42/28/71/411422871.db2.gz HEHUQNVOWUSUOP-UHFFFAOYSA-N 1 2 239.275 0.647 20 0 BCADLO CO[C@H](COCc1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000657255648 411428560 /nfs/dbraw/zinc/42/85/60/411428560.db2.gz NLHDYJCVTANULJ-VHSXEESVSA-N 1 2 226.276 0.978 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H]1CCN(CC)C1=O ZINC000659821264 411463097 /nfs/dbraw/zinc/46/30/97/411463097.db2.gz MJRKPRVOUQQPDL-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCN(CC)C1=O ZINC000659821264 411463100 /nfs/dbraw/zinc/46/31/00/411463100.db2.gz MJRKPRVOUQQPDL-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CO)cn1 ZINC000405651748 411436930 /nfs/dbraw/zinc/43/69/30/411436930.db2.gz RDHPLDOCTULGFR-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CO)cn1 ZINC000405651748 411436934 /nfs/dbraw/zinc/43/69/34/411436934.db2.gz RDHPLDOCTULGFR-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1nc(N2CC(NC(=O)C3CCC3)C2)cc[nH+]1 ZINC000274956009 411439407 /nfs/dbraw/zinc/43/94/07/411439407.db2.gz FMWWSSJVSBBKCE-UHFFFAOYSA-N 1 2 246.314 0.890 20 0 BCADLO C[C@H](CO)[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653615681 411440414 /nfs/dbraw/zinc/44/04/14/411440414.db2.gz UGSLZOKEECHMNM-BDAKNGLRSA-N 1 2 241.339 0.535 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N2CCOCC2)c1 ZINC000313458519 411441319 /nfs/dbraw/zinc/44/13/19/411441319.db2.gz HXSYTXSDHNKFCD-UHFFFAOYSA-N 1 2 238.291 0.004 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000660374192 411443387 /nfs/dbraw/zinc/44/33/87/411443387.db2.gz UWJBSYWPDAGXBA-NXEZZACHSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000660374192 411443393 /nfs/dbraw/zinc/44/33/93/411443393.db2.gz UWJBSYWPDAGXBA-NXEZZACHSA-N 1 2 242.319 0.242 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc[nH]n1 ZINC000654774053 411443785 /nfs/dbraw/zinc/44/37/85/411443785.db2.gz TUMXZYKTDKZWAJ-VIFPVBQESA-N 1 2 247.302 0.970 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc[nH]n1 ZINC000654774053 411443788 /nfs/dbraw/zinc/44/37/88/411443788.db2.gz TUMXZYKTDKZWAJ-VIFPVBQESA-N 1 2 247.302 0.970 20 0 BCADLO COCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657287816 411446990 /nfs/dbraw/zinc/44/69/90/411446990.db2.gz XZNLKOQTHWZMHE-UHFFFAOYSA-N 1 2 213.285 0.164 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)nc(C)n1 ZINC000660390984 411450801 /nfs/dbraw/zinc/45/08/01/411450801.db2.gz MFDGUNDQMVHYOC-JTQLQIEISA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)nc(C)n1 ZINC000660390984 411450804 /nfs/dbraw/zinc/45/08/04/411450804.db2.gz MFDGUNDQMVHYOC-JTQLQIEISA-N 1 2 248.330 0.804 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657293046 411452972 /nfs/dbraw/zinc/45/29/72/411452972.db2.gz VGWZEBDFLPPDSM-UHFFFAOYSA-N 1 2 222.292 0.055 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657292275 411453349 /nfs/dbraw/zinc/45/33/49/411453349.db2.gz LODZDRCLFBRSPV-UHFFFAOYSA-N 1 2 237.307 0.229 20 0 BCADLO CCc1nc([C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000659832511 411467563 /nfs/dbraw/zinc/46/75/63/411467563.db2.gz UGYSWZIPARWWTE-VIFPVBQESA-N 1 2 223.324 0.676 20 0 BCADLO CCN1CC[C@@H]([N@H+](CC)CC(=O)N(C)C)C1=O ZINC000659838780 411471314 /nfs/dbraw/zinc/47/13/14/411471314.db2.gz PJXQZMDMSMLEIG-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CC[C@@H]([N@@H+](CC)CC(=O)N(C)C)C1=O ZINC000659838780 411471315 /nfs/dbraw/zinc/47/13/15/411471315.db2.gz PJXQZMDMSMLEIG-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(O)C1 ZINC000654999024 411473475 /nfs/dbraw/zinc/47/34/75/411473475.db2.gz KIRZYPYIZJVMGI-MFAVDMRSSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(O)C1 ZINC000654999024 411473478 /nfs/dbraw/zinc/47/34/78/411473478.db2.gz KIRZYPYIZJVMGI-MFAVDMRSSA-N 1 2 237.303 0.570 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657360475 411476772 /nfs/dbraw/zinc/47/67/72/411476772.db2.gz HZLVXLZOUAEJQL-VIFPVBQESA-N 1 2 245.348 0.631 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)no1 ZINC000659850717 411477505 /nfs/dbraw/zinc/47/75/05/411477505.db2.gz BTLOYVZBSXAAAD-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC000659850717 411477506 /nfs/dbraw/zinc/47/75/06/411477506.db2.gz BTLOYVZBSXAAAD-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO C[C@@H](O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657361586 411478441 /nfs/dbraw/zinc/47/84/41/411478441.db2.gz GEBILUKIKUQBHW-MRVPVSSYSA-N 1 2 227.312 0.289 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@](C)(O)C2)n1 ZINC000657493858 411533217 /nfs/dbraw/zinc/53/32/17/411533217.db2.gz JVQKZZRHGCOGGI-DKTWLAJQSA-N 1 2 239.323 0.431 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)Nc1cnccn1 ZINC000659859915 411481098 /nfs/dbraw/zinc/48/10/98/411481098.db2.gz PYYFBMSLYVQZIE-UHFFFAOYSA-N 1 2 236.275 0.137 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)Nc1cnccn1 ZINC000659859915 411481100 /nfs/dbraw/zinc/48/11/00/411481100.db2.gz PYYFBMSLYVQZIE-UHFFFAOYSA-N 1 2 236.275 0.137 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655034296 411481995 /nfs/dbraw/zinc/48/19/95/411481995.db2.gz ULZFZJKPPALQDA-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655034298 411482024 /nfs/dbraw/zinc/48/20/24/411482024.db2.gz ULZFZJKPPALQDA-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCCO[C@H](C)C2)C1=O ZINC000659873454 411486329 /nfs/dbraw/zinc/48/63/29/411486329.db2.gz ILBVDXFJEQESDI-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCCO[C@H](C)C2)C1=O ZINC000659873454 411486331 /nfs/dbraw/zinc/48/63/31/411486331.db2.gz ILBVDXFJEQESDI-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC000659880340 411489473 /nfs/dbraw/zinc/48/94/73/411489473.db2.gz MTTRYNRVAHOTCL-HTQZYQBOSA-N 1 2 210.281 0.495 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC000659880340 411489475 /nfs/dbraw/zinc/48/94/75/411489475.db2.gz MTTRYNRVAHOTCL-HTQZYQBOSA-N 1 2 210.281 0.495 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CCCN(C)C2=O)o1 ZINC000638724164 411492227 /nfs/dbraw/zinc/49/22/27/411492227.db2.gz JCURALIOZZEVQA-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cn1cccn1 ZINC000655126618 411499864 /nfs/dbraw/zinc/49/98/64/411499864.db2.gz MBGQITZPVUZLLN-UHFFFAOYSA-N 1 2 233.275 0.416 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nc(C)no1 ZINC000655126446 411500049 /nfs/dbraw/zinc/50/00/49/411500049.db2.gz RNWMWNOKUIHZFJ-UHFFFAOYSA-N 1 2 235.247 0.524 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnnn1CC ZINC000655126409 411500140 /nfs/dbraw/zinc/50/01/40/411500140.db2.gz PNGSOBZUVIVNQP-UHFFFAOYSA-N 1 2 248.290 0.444 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000659942004 411505432 /nfs/dbraw/zinc/50/54/32/411505432.db2.gz GSJXIKKVWUPXEH-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO O=C(C[NH2+]Cc1cc2n(n1)CCC2)NCC1CC1 ZINC000657430802 411508081 /nfs/dbraw/zinc/50/80/81/411508081.db2.gz SARRLFBMVWDEPB-UHFFFAOYSA-N 1 2 248.330 0.445 20 0 BCADLO CO[C@@H](C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657446244 411512854 /nfs/dbraw/zinc/51/28/54/411512854.db2.gz LUJYKUKHEHJYPK-QMMMGPOBSA-N 1 2 227.312 0.553 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000659986952 411520836 /nfs/dbraw/zinc/52/08/36/411520836.db2.gz SICDLJOHNWWZGD-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000659986952 411520837 /nfs/dbraw/zinc/52/08/37/411520837.db2.gz SICDLJOHNWWZGD-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO CO[C@H](C)[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814626 411524091 /nfs/dbraw/zinc/52/40/91/411524091.db2.gz NTLDICCXNDZXKC-DTWKUNHWSA-N 1 2 241.339 0.941 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1Cc1cn(C)c[nH+]1 ZINC000660008617 411528108 /nfs/dbraw/zinc/52/81/08/411528108.db2.gz DJBNCPABRJNKHO-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CC2(C)COC2)n1 ZINC000655832082 411528967 /nfs/dbraw/zinc/52/89/67/411528967.db2.gz QKKGYFLKKFNMHW-UHFFFAOYSA-N 1 2 239.323 0.554 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)n1 ZINC000657489827 411532453 /nfs/dbraw/zinc/53/24/53/411532453.db2.gz YGXKUCSZRSUVGN-GHMZBOCLSA-N 1 2 248.330 0.961 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC=C(C)CC1 ZINC000336472884 170000070 /nfs/dbraw/zinc/00/00/70/170000070.db2.gz PHZDAVRCUWUCHN-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC=C(C)CC1 ZINC000336472884 170000071 /nfs/dbraw/zinc/00/00/71/170000071.db2.gz PHZDAVRCUWUCHN-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C)C1 ZINC000336585712 170000078 /nfs/dbraw/zinc/00/00/78/170000078.db2.gz TXCQFJQCIFIHSH-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C)C1 ZINC000336585712 170000080 /nfs/dbraw/zinc/00/00/80/170000080.db2.gz TXCQFJQCIFIHSH-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC=C(C)C1 ZINC000336633693 170000464 /nfs/dbraw/zinc/00/04/64/170000464.db2.gz YOXUKZJWEWDBLJ-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC=C(C)C1 ZINC000336633693 170000466 /nfs/dbraw/zinc/00/04/66/170000466.db2.gz YOXUKZJWEWDBLJ-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CC1 ZINC000336335528 170001289 /nfs/dbraw/zinc/00/12/89/170001289.db2.gz GOLACFGSPYFEBA-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CC1 ZINC000336335528 170001290 /nfs/dbraw/zinc/00/12/90/170001290.db2.gz GOLACFGSPYFEBA-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC(C)C ZINC000367262621 170002200 /nfs/dbraw/zinc/00/22/00/170002200.db2.gz POAXIKQHTRNACD-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC(C)C ZINC000367262621 170002201 /nfs/dbraw/zinc/00/22/01/170002201.db2.gz POAXIKQHTRNACD-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)F ZINC000356653195 170002225 /nfs/dbraw/zinc/00/22/25/170002225.db2.gz OHMXPYRBZUNTHN-ZJUUUORDSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)F ZINC000356653195 170002226 /nfs/dbraw/zinc/00/22/26/170002226.db2.gz OHMXPYRBZUNTHN-ZJUUUORDSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC(C)=O)C1 ZINC000362788304 170003315 /nfs/dbraw/zinc/00/33/15/170003315.db2.gz OSGYGJSTBYJZTA-GXSJLCMTSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC(C)=O)C1 ZINC000362788304 170003316 /nfs/dbraw/zinc/00/33/16/170003316.db2.gz OSGYGJSTBYJZTA-GXSJLCMTSA-N 1 2 242.319 0.191 20 0 BCADLO COC[C@H](C[N@@H+]1CCc2c[nH]nc2C1)OC ZINC000660119804 411539443 /nfs/dbraw/zinc/53/94/43/411539443.db2.gz XVGZKKCUXFYKFQ-JTQLQIEISA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@H](C[N@H+]1CCc2c[nH]nc2C1)OC ZINC000660119804 411539445 /nfs/dbraw/zinc/53/94/45/411539445.db2.gz XVGZKKCUXFYKFQ-JTQLQIEISA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@H](C[N@@H+]1CCc2cn[nH]c2C1)OC ZINC000660119804 411539447 /nfs/dbraw/zinc/53/94/47/411539447.db2.gz XVGZKKCUXFYKFQ-JTQLQIEISA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000660119804 411539449 /nfs/dbraw/zinc/53/94/49/411539449.db2.gz XVGZKKCUXFYKFQ-JTQLQIEISA-N 1 2 225.292 0.429 20 0 BCADLO CC[N@@H+]1C[C@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341126716 170034421 /nfs/dbraw/zinc/03/44/21/170034421.db2.gz LQQBIIMUVSSHFA-BDAKNGLRSA-N 1 2 239.323 0.425 20 0 BCADLO CC[N@H+]1C[C@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341126716 170034422 /nfs/dbraw/zinc/03/44/22/170034422.db2.gz LQQBIIMUVSSHFA-BDAKNGLRSA-N 1 2 239.323 0.425 20 0 BCADLO CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154544925 170042049 /nfs/dbraw/zinc/04/20/49/170042049.db2.gz IJPUQHHNVLNDSG-UHFFFAOYSA-N 1 2 221.260 0.773 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)NCC(C)C ZINC000048216548 170056524 /nfs/dbraw/zinc/05/65/24/170056524.db2.gz KWZSXAPUOPDHEB-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)NCC(C)C ZINC000048216548 170056525 /nfs/dbraw/zinc/05/65/25/170056525.db2.gz KWZSXAPUOPDHEB-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363936406 170059946 /nfs/dbraw/zinc/05/99/46/170059946.db2.gz DBIZDJXOWUYOPM-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363936406 170059947 /nfs/dbraw/zinc/05/99/47/170059947.db2.gz DBIZDJXOWUYOPM-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000334348527 170076058 /nfs/dbraw/zinc/07/60/58/170076058.db2.gz YXQWPCJOPWBVNE-JTQLQIEISA-N 1 2 231.271 0.266 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000334348527 170076059 /nfs/dbraw/zinc/07/60/59/170076059.db2.gz YXQWPCJOPWBVNE-JTQLQIEISA-N 1 2 231.271 0.266 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1cn[nH]c1C)C(C)C ZINC000292825865 170092242 /nfs/dbraw/zinc/09/22/42/170092242.db2.gz AGGJGZNYIKGDON-NSHDSACASA-N 1 2 238.335 0.968 20 0 BCADLO CC(C)NS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660099550 411536893 /nfs/dbraw/zinc/53/68/93/411536893.db2.gz HDLFKOUOQBEHFA-QMMMGPOBSA-N 1 2 246.336 0.314 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000345356336 170096236 /nfs/dbraw/zinc/09/62/36/170096236.db2.gz USBQNUWDUWUTBX-IUCAKERBSA-N 1 2 222.292 0.442 20 0 BCADLO C[C@H](NS(=O)(=O)CC1CC1)c1[nH+]ccn1C ZINC000660104202 411537491 /nfs/dbraw/zinc/53/74/91/411537491.db2.gz MWJNVPSINKYYRW-QMMMGPOBSA-N 1 2 243.332 0.811 20 0 BCADLO Cc1cn2ccc(NC(=O)C(=O)N(C)C)cc2[nH+]1 ZINC000657569477 411553560 /nfs/dbraw/zinc/55/35/60/411553560.db2.gz KEWLXLXBCVOQBC-UHFFFAOYSA-N 1 2 246.270 0.669 20 0 BCADLO CCNS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000178443195 170132473 /nfs/dbraw/zinc/13/24/73/170132473.db2.gz IYJMNDYRXZTTKN-UHFFFAOYSA-N 1 2 246.336 0.059 20 0 BCADLO CC(C)[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660221308 411555211 /nfs/dbraw/zinc/55/52/11/411555211.db2.gz NKBSSUYDELZDGY-LLVKDONJSA-N 1 2 224.308 0.704 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660221308 411555212 /nfs/dbraw/zinc/55/52/12/411555212.db2.gz NKBSSUYDELZDGY-LLVKDONJSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC=CCC1 ZINC000660221807 411556153 /nfs/dbraw/zinc/55/61/53/411556153.db2.gz RSGAZCQMULEGPF-VHSXEESVSA-N 1 2 231.317 0.060 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC=CCC1 ZINC000660221807 411556155 /nfs/dbraw/zinc/55/61/55/411556155.db2.gz RSGAZCQMULEGPF-VHSXEESVSA-N 1 2 231.317 0.060 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)nc(C)n1 ZINC000660145705 411545340 /nfs/dbraw/zinc/54/53/40/411545340.db2.gz WBVFSFNEZGZADN-JTQLQIEISA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)nc(C)n1 ZINC000660145705 411545342 /nfs/dbraw/zinc/54/53/42/411545342.db2.gz WBVFSFNEZGZADN-JTQLQIEISA-N 1 2 248.330 0.804 20 0 BCADLO CCc1nocc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000660145804 411545392 /nfs/dbraw/zinc/54/53/92/411545392.db2.gz ZYSRXFXUTFWLLU-SECBINFHSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000660145804 411545394 /nfs/dbraw/zinc/54/53/94/411545394.db2.gz ZYSRXFXUTFWLLU-SECBINFHSA-N 1 2 237.303 0.947 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660144753 411545673 /nfs/dbraw/zinc/54/56/73/411545673.db2.gz YPMDNGLOFXDIGJ-SECBINFHSA-N 1 2 213.281 0.239 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660144753 411545675 /nfs/dbraw/zinc/54/56/75/411545675.db2.gz YPMDNGLOFXDIGJ-SECBINFHSA-N 1 2 213.281 0.239 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](C(F)F)C2)C1=O ZINC000660147925 411546608 /nfs/dbraw/zinc/54/66/08/411546608.db2.gz QYOPXVSOCZYUCV-SFYZADRCSA-N 1 2 234.246 0.736 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@@H](C(F)F)C2)C1=O ZINC000660147925 411546609 /nfs/dbraw/zinc/54/66/09/411546609.db2.gz QYOPXVSOCZYUCV-SFYZADRCSA-N 1 2 234.246 0.736 20 0 BCADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCOC1 ZINC000657541870 411547342 /nfs/dbraw/zinc/54/73/42/411547342.db2.gz GSJSSTFNQFCCCJ-MWLCHTKSSA-N 1 2 225.292 0.551 20 0 BCADLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000330806992 170191228 /nfs/dbraw/zinc/19/12/28/170191228.db2.gz AIGSHEWKOZFQQU-MRVPVSSYSA-N 1 2 244.291 0.300 20 0 BCADLO CCOC(=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000082264711 170195917 /nfs/dbraw/zinc/19/59/17/170195917.db2.gz RGIFNCGITKBMKY-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368325718 170201297 /nfs/dbraw/zinc/20/12/97/170201297.db2.gz ARPVMRSGXILMAA-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368325718 170201299 /nfs/dbraw/zinc/20/12/99/170201299.db2.gz ARPVMRSGXILMAA-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO CCOC(=O)CCN1CCc2c([nH+]cn2C)C1 ZINC000363829552 170207009 /nfs/dbraw/zinc/20/70/09/170207009.db2.gz ZJCQJRMVYMXJHH-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2c(ncn2C)C1 ZINC000363829552 170207011 /nfs/dbraw/zinc/20/70/11/170207011.db2.gz ZJCQJRMVYMXJHH-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2c(ncn2C)C1 ZINC000363829552 170207012 /nfs/dbraw/zinc/20/70/12/170207012.db2.gz ZJCQJRMVYMXJHH-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO CCOC(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000336782231 170209952 /nfs/dbraw/zinc/20/99/52/170209952.db2.gz XAKNEIOTKUQNFY-ZETCQYMHSA-N 1 2 227.264 0.982 20 0 BCADLO CCOC(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275525801 170210189 /nfs/dbraw/zinc/21/01/89/170210189.db2.gz JVECYHGSIKGLCU-QMMMGPOBSA-N 1 2 226.280 0.419 20 0 BCADLO CCOC(=O)CN(C)CCn1cc[nH+]c1 ZINC000050066553 170214999 /nfs/dbraw/zinc/21/49/99/170214999.db2.gz DAJUBUJCOVBEQU-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO CCOC(=O)C[N@H+](CC[C@H](C)O)C1CC1 ZINC000122899691 170217673 /nfs/dbraw/zinc/21/76/73/170217673.db2.gz PDJVIFPVKIVPDW-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](CC[C@H](C)O)C1CC1 ZINC000122899691 170217674 /nfs/dbraw/zinc/21/76/74/170217674.db2.gz PDJVIFPVKIVPDW-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@H](C)OC ZINC000360009207 170217931 /nfs/dbraw/zinc/21/79/31/170217931.db2.gz AXUKEXAITUXRHX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@H](C)OC ZINC000360009207 170217933 /nfs/dbraw/zinc/21/79/33/170217933.db2.gz AXUKEXAITUXRHX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@H]1CCCO1 ZINC000338921973 170218051 /nfs/dbraw/zinc/21/80/51/170218051.db2.gz VCEBDARXGHSMQF-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@H]1CCCO1 ZINC000338921973 170218053 /nfs/dbraw/zinc/21/80/53/170218053.db2.gz VCEBDARXGHSMQF-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@H+](CCn1cncn1)C1CC1 ZINC000264110398 170218170 /nfs/dbraw/zinc/21/81/70/170218170.db2.gz QKFJTINSYLLNBO-UHFFFAOYSA-N 1 2 238.291 0.306 20 0 BCADLO CCOC(=O)C[N@@H+](CCn1cncn1)C1CC1 ZINC000264110398 170218171 /nfs/dbraw/zinc/21/81/71/170218171.db2.gz QKFJTINSYLLNBO-UHFFFAOYSA-N 1 2 238.291 0.306 20 0 BCADLO CCOC(=O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC000371158614 170218816 /nfs/dbraw/zinc/21/88/16/170218816.db2.gz VHIVAUCADNZIQM-UHFFFAOYSA-N 1 2 241.287 0.579 20 0 BCADLO CCOC(=O)C[NH+]1CCC(O)(COC)CC1 ZINC000330494169 170219253 /nfs/dbraw/zinc/21/92/53/170219253.db2.gz UMBQEBGRONWZPR-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000248956134 170220127 /nfs/dbraw/zinc/22/01/27/170220127.db2.gz ANBKDLZRYWJUPZ-VHSXEESVSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000248956134 170220128 /nfs/dbraw/zinc/22/01/28/170220128.db2.gz ANBKDLZRYWJUPZ-VHSXEESVSA-N 1 2 243.303 0.681 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)CS1(=O)=O ZINC000657636531 411567614 /nfs/dbraw/zinc/56/76/14/411567614.db2.gz GZXIJBQBQKFLAX-DTWKUNHWSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000365828013 170225156 /nfs/dbraw/zinc/22/51/56/170225156.db2.gz TWLKNGFZYQUFIX-SNVBAGLBSA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)C[NH2+]C1(CO)CCCC1 ZINC000053069506 170225390 /nfs/dbraw/zinc/22/53/90/170225390.db2.gz YPMWYMGULPOTHE-UHFFFAOYSA-N 1 2 201.266 0.444 20 0 BCADLO CCOC(=O)C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000375729746 170225584 /nfs/dbraw/zinc/22/55/84/170225584.db2.gz HPEYOSAVWZGZGR-UHFFFAOYSA-N 1 2 249.310 0.669 20 0 BCADLO CCOC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000363236102 170225691 /nfs/dbraw/zinc/22/56/91/170225691.db2.gz KSJIPUUDJSRUDQ-UHFFFAOYSA-N 1 2 249.310 0.669 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462917 170226256 /nfs/dbraw/zinc/22/62/56/170226256.db2.gz IPVQOGMSORVUSI-SKDRFNHKSA-N 1 2 240.303 0.196 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000336907760 170226906 /nfs/dbraw/zinc/22/69/06/170226906.db2.gz ZDIURXZUIICPPU-QMMMGPOBSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)N1CCN(Cc2cn(C)c[nH+]2)CC1=O ZINC000660234347 411556935 /nfs/dbraw/zinc/55/69/35/411556935.db2.gz WHSZACFHPVGCSZ-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCOCC3(CC3)C2)C1=O ZINC000660243562 411558229 /nfs/dbraw/zinc/55/82/29/411558229.db2.gz ITWUEBSZLJHQQR-JTQLQIEISA-N 1 2 240.303 0.261 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCOCC3(CC3)C2)C1=O ZINC000660243562 411558230 /nfs/dbraw/zinc/55/82/30/411558230.db2.gz ITWUEBSZLJHQQR-JTQLQIEISA-N 1 2 240.303 0.261 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587114 170250467 /nfs/dbraw/zinc/25/04/67/170250467.db2.gz KZEQWNXTVVCSGZ-KOLCDFICSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587114 170250468 /nfs/dbraw/zinc/25/04/68/170250468.db2.gz KZEQWNXTVVCSGZ-KOLCDFICSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc[nH]n1 ZINC000354794518 170261796 /nfs/dbraw/zinc/26/17/96/170261796.db2.gz SFPDWTBEBBLDLP-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000354794518 170261798 /nfs/dbraw/zinc/26/17/98/170261798.db2.gz SFPDWTBEBBLDLP-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375334499 170266328 /nfs/dbraw/zinc/26/63/28/170266328.db2.gz SQNVRTYXODPBCC-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375334499 170266330 /nfs/dbraw/zinc/26/63/30/170266330.db2.gz SQNVRTYXODPBCC-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@H]1OCC ZINC000362012427 170268076 /nfs/dbraw/zinc/26/80/76/170268076.db2.gz HAVUMMOXLMKSPZ-GARJFASQSA-N 1 2 245.319 0.722 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105872393 170268276 /nfs/dbraw/zinc/26/82/76/170268276.db2.gz IFTZIQGOJOAUBA-DTWKUNHWSA-N 1 2 238.291 0.134 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000043637905 170268478 /nfs/dbraw/zinc/26/84/78/170268478.db2.gz MCQAMLWEKWJJPK-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)OC ZINC000336745614 170270190 /nfs/dbraw/zinc/27/01/90/170270190.db2.gz APYAVDKOELSRFQ-SFYZADRCSA-N 1 2 217.265 0.337 20 0 BCADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000295755721 170270607 /nfs/dbraw/zinc/27/06/07/170270607.db2.gz OJKSFLUGMYDUKZ-SFYZADRCSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000295755721 170270609 /nfs/dbraw/zinc/27/06/09/170270609.db2.gz OJKSFLUGMYDUKZ-SFYZADRCSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510859 170271876 /nfs/dbraw/zinc/27/18/76/170271876.db2.gz DYTJQOGSXYBLFO-IUCAKERBSA-N 1 2 243.307 0.485 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510859 170271878 /nfs/dbraw/zinc/27/18/78/170271878.db2.gz DYTJQOGSXYBLFO-IUCAKERBSA-N 1 2 243.307 0.485 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CCCSC2)[nH]1 ZINC000657608994 411562420 /nfs/dbraw/zinc/56/24/20/411562420.db2.gz HQAQJUFMAHOJRC-QMMMGPOBSA-N 1 2 242.348 0.936 20 0 BCADLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccco1 ZINC000657605098 411563575 /nfs/dbraw/zinc/56/35/75/411563575.db2.gz QYWKQCXJJOKDPZ-ZJUUUORDSA-N 1 2 245.300 0.181 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCOCC12CC2 ZINC000338595180 170285341 /nfs/dbraw/zinc/28/53/41/170285341.db2.gz CPLOGGSNHSNWEZ-LLVKDONJSA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCOCC12CC2 ZINC000338595180 170285342 /nfs/dbraw/zinc/28/53/42/170285342.db2.gz CPLOGGSNHSNWEZ-LLVKDONJSA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)c1nn(C)cc1C[NH2+]CCF ZINC000280802931 170308873 /nfs/dbraw/zinc/30/88/73/170308873.db2.gz SNJWOGUVXKRSNJ-UHFFFAOYSA-N 1 2 229.255 0.656 20 0 BCADLO CCOC1CC(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000287601149 170322343 /nfs/dbraw/zinc/32/23/43/170322343.db2.gz XJUCMVYVVITTEB-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO COC[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000660370873 411573918 /nfs/dbraw/zinc/57/39/18/411573918.db2.gz GFSOPGGUQRJLTF-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO COC[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000660370873 411573920 /nfs/dbraw/zinc/57/39/20/411573920.db2.gz GFSOPGGUQRJLTF-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO CCOCC(C)(C)[NH2+]CC(=O)OCC ZINC000339366401 170353950 /nfs/dbraw/zinc/35/39/50/170353950.db2.gz PRTPLQLJWOKFQQ-UHFFFAOYSA-N 1 2 203.282 0.954 20 0 BCADLO CCOCCC(=O)NCCn1cc[nH+]c1 ZINC000170840042 170359987 /nfs/dbraw/zinc/35/99/87/170359987.db2.gz VVAKMICPMOAVTR-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CCOCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355089000 170360741 /nfs/dbraw/zinc/36/07/41/170360741.db2.gz PJLGOAZNAWQHBN-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355089000 170360742 /nfs/dbraw/zinc/36/07/42/170360742.db2.gz PJLGOAZNAWQHBN-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCCC(=O)NCc1[nH+]ccn1C ZINC000264314881 170365410 /nfs/dbraw/zinc/36/54/10/170365410.db2.gz ORWXJRDSKQRLQZ-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660331824 411570160 /nfs/dbraw/zinc/57/01/60/411570160.db2.gz XYSHRKILUFYJSI-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660331824 411570161 /nfs/dbraw/zinc/57/01/61/411570161.db2.gz XYSHRKILUFYJSI-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO CCN(CCO)c1nc(NC)c2ccccc2[nH+]1 ZINC000450210413 411625539 /nfs/dbraw/zinc/62/55/39/411625539.db2.gz HIMZDEGMPXWGEC-UHFFFAOYSA-N 1 2 246.314 1.490 20 0 BCADLO CC[C@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663328063 411626098 /nfs/dbraw/zinc/62/60/98/411626098.db2.gz OCAFQESCGOPDCF-JGVFFNPUSA-N 1 2 236.275 0.812 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC000660779733 411629865 /nfs/dbraw/zinc/62/98/65/411629865.db2.gz ILEWBDOTHSKBLS-VHSXEESVSA-N 1 2 212.249 0.486 20 0 BCADLO COC[C@@H](CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000352348615 411638178 /nfs/dbraw/zinc/63/81/78/411638178.db2.gz BSWWAEUAWDVWMN-SNVBAGLBSA-N 1 2 239.319 1.409 20 0 BCADLO COC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000336704529 411638625 /nfs/dbraw/zinc/63/86/25/411638625.db2.gz PGWMVZPIQFELAH-SECBINFHSA-N 1 2 225.292 1.019 20 0 BCADLO CCNC(=O)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433783837 411643816 /nfs/dbraw/zinc/64/38/16/411643816.db2.gz SLFOIWSLWZXDFB-ZETCQYMHSA-N 1 2 247.302 1.203 20 0 BCADLO CCOCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660384277 411576571 /nfs/dbraw/zinc/57/65/71/411576571.db2.gz MCKCIVXKEDBMFT-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO CCOCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660384277 411576573 /nfs/dbraw/zinc/57/65/73/411576573.db2.gz MCKCIVXKEDBMFT-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO CCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660384506 411576892 /nfs/dbraw/zinc/57/68/92/411576892.db2.gz PTONWRVDJNYNAC-VIFPVBQESA-N 1 2 240.307 0.817 20 0 BCADLO CC1(C)C[C@@H]([N@@H+]2CCc3nn[nH]c3C2)CO1 ZINC000660388490 411577176 /nfs/dbraw/zinc/57/71/76/411577176.db2.gz UEFWBVPRDPMZLN-MRVPVSSYSA-N 1 2 222.292 0.730 20 0 BCADLO CC1(C)C[C@@H]([N@H+]2CCc3nn[nH]c3C2)CO1 ZINC000660388490 411577178 /nfs/dbraw/zinc/57/71/78/411577178.db2.gz UEFWBVPRDPMZLN-MRVPVSSYSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](CO)O1 ZINC000660387282 411577502 /nfs/dbraw/zinc/57/75/02/411577502.db2.gz ALSBZHJJELFHAF-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C)nc(C)n1 ZINC000660393747 411578521 /nfs/dbraw/zinc/57/85/21/411578521.db2.gz SKHLRXSNOPVFRP-UHFFFAOYSA-N 1 2 222.292 0.401 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C)nc(C)n1 ZINC000660393747 411578523 /nfs/dbraw/zinc/57/85/23/411578523.db2.gz SKHLRXSNOPVFRP-UHFFFAOYSA-N 1 2 222.292 0.401 20 0 BCADLO NC(=O)c1csc(C[NH2+]CC2(F)CC2)n1 ZINC000657689962 411579165 /nfs/dbraw/zinc/57/91/65/411579165.db2.gz RACUYIFXBYURBK-UHFFFAOYSA-N 1 2 229.280 0.834 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)CC1CC1 ZINC000657701298 411582461 /nfs/dbraw/zinc/58/24/61/411582461.db2.gz XEUDIIZRIGOFDZ-JTQLQIEISA-N 1 2 209.293 0.908 20 0 BCADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2Cc2cn[nH]c2)nc1=N ZINC000660470960 411590805 /nfs/dbraw/zinc/59/08/05/411590805.db2.gz PSALFMNNPKYSJQ-VIFPVBQESA-N 1 2 247.306 0.288 20 0 BCADLO Cn1[nH]c([C@@H]2CCC[N@H+]2Cc2cn[nH]c2)nc1=N ZINC000660470960 411590807 /nfs/dbraw/zinc/59/08/07/411590807.db2.gz PSALFMNNPKYSJQ-VIFPVBQESA-N 1 2 247.306 0.288 20 0 BCADLO CC[N@H+](Cc1cc(OC)no1)[C@@H]1CCNC1=O ZINC000660479126 411591181 /nfs/dbraw/zinc/59/11/81/411591181.db2.gz XEPYVHBRSKXXIN-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO CC[N@@H+](Cc1cc(OC)no1)[C@@H]1CCNC1=O ZINC000660479126 411591182 /nfs/dbraw/zinc/59/11/82/411591182.db2.gz XEPYVHBRSKXXIN-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO CC[N@H+](Cc1cc(C)nc(C)n1)[C@@H]1CCNC1=O ZINC000660477120 411591298 /nfs/dbraw/zinc/59/12/98/411591298.db2.gz LQYZOLLVAIIUHL-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO CC[N@@H+](Cc1cc(C)nc(C)n1)[C@@H]1CCNC1=O ZINC000660477120 411591300 /nfs/dbraw/zinc/59/13/00/411591300.db2.gz LQYZOLLVAIIUHL-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)co1 ZINC000660480097 411591492 /nfs/dbraw/zinc/59/14/92/411591492.db2.gz SUUBRWZLDGGECE-OIBJUYFYSA-N 1 2 223.276 0.597 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CC(=O)N1C ZINC000660483141 411591994 /nfs/dbraw/zinc/59/19/94/411591994.db2.gz LUDFQVBZBBGWJN-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000660493981 411593855 /nfs/dbraw/zinc/59/38/55/411593855.db2.gz OCCHQHDOGLDVKC-RYUDHWBXSA-N 1 2 236.319 0.991 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000660493981 411593857 /nfs/dbraw/zinc/59/38/57/411593857.db2.gz OCCHQHDOGLDVKC-RYUDHWBXSA-N 1 2 236.319 0.991 20 0 BCADLO OCC[C@@H]1CCCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660497270 411594428 /nfs/dbraw/zinc/59/44/28/411594428.db2.gz VYFNYCWUEWCFJN-LBPRGKRZSA-N 1 2 238.335 0.974 20 0 BCADLO OCC[C@@H]1CCCCC[N@H+]1CCc1cnn[nH]1 ZINC000660497270 411594430 /nfs/dbraw/zinc/59/44/30/411594430.db2.gz VYFNYCWUEWCFJN-LBPRGKRZSA-N 1 2 238.335 0.974 20 0 BCADLO Cn1c[nH+]c(CN2CCOCC(F)(F)C2)c1 ZINC000660560943 411600156 /nfs/dbraw/zinc/60/01/56/411600156.db2.gz OZTHMEOUNZOPLD-UHFFFAOYSA-N 1 2 231.246 0.888 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000657808571 411600679 /nfs/dbraw/zinc/60/06/79/411600679.db2.gz LOGJGQQXFKTPEO-ZKCHVHJHSA-N 1 2 225.296 0.041 20 0 BCADLO COCCOCCN1CCn2c[nH+]cc2C1 ZINC000660578694 411602649 /nfs/dbraw/zinc/60/26/49/411602649.db2.gz PYQXXIMZIPYEMN-UHFFFAOYSA-N 1 2 225.292 0.362 20 0 BCADLO c1ncn2c1C[N@H+]([C@H]1CCCOC1)CC2 ZINC000660582067 411602999 /nfs/dbraw/zinc/60/29/99/411602999.db2.gz KEMGCRYWPRYVPP-JTQLQIEISA-N 1 2 207.277 0.878 20 0 BCADLO c1ncn2c1C[N@@H+]([C@H]1CCCOC1)CC2 ZINC000660582067 411603000 /nfs/dbraw/zinc/60/30/00/411603000.db2.gz KEMGCRYWPRYVPP-JTQLQIEISA-N 1 2 207.277 0.878 20 0 BCADLO c1[nH+]cn2c1CN([C@H]1CCCOC1)CC2 ZINC000660582067 411603002 /nfs/dbraw/zinc/60/30/02/411603002.db2.gz KEMGCRYWPRYVPP-JTQLQIEISA-N 1 2 207.277 0.878 20 0 BCADLO CN(CC1CC1)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000660577597 411603162 /nfs/dbraw/zinc/60/31/62/411603162.db2.gz IGBQIXOFGZSJIR-UHFFFAOYSA-N 1 2 248.330 0.567 20 0 BCADLO c1[nH+]cn2c1CN(Cc1ncccn1)CC2 ZINC000660581965 411603321 /nfs/dbraw/zinc/60/33/21/411603321.db2.gz LPZWLWMOYNOCSJ-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO OCc1nnn2c1C[N@H+](CCC1CCC1)CC2 ZINC000660591209 411604518 /nfs/dbraw/zinc/60/45/18/411604518.db2.gz XCKCTGCYCCKSKS-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO OCc1nnn2c1C[N@@H+](CCC1CCC1)CC2 ZINC000660591209 411604519 /nfs/dbraw/zinc/60/45/19/411604519.db2.gz XCKCTGCYCCKSKS-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@@H](O)C2)c(C)o1 ZINC000660669699 411616311 /nfs/dbraw/zinc/61/63/11/411616311.db2.gz QBLBRLHSXCSCIC-JTQLQIEISA-N 1 2 226.276 0.485 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@@H](O)C2)c(C)o1 ZINC000660669699 411616312 /nfs/dbraw/zinc/61/63/12/411616312.db2.gz QBLBRLHSXCSCIC-JTQLQIEISA-N 1 2 226.276 0.485 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1csnn1 ZINC000660751050 411620874 /nfs/dbraw/zinc/62/08/74/411620874.db2.gz GIMKWPZYYKOKJK-RKDXNWHRSA-N 1 2 229.305 0.432 20 0 BCADLO Cc1cccc2[nH+]c(CN=c3nc[nH]n3C)cn21 ZINC000663584143 411705187 /nfs/dbraw/zinc/70/51/87/411705187.db2.gz JBKXRPPXOLGZHA-UHFFFAOYSA-N 1 2 242.286 0.805 20 0 BCADLO CCOC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000355725202 411711174 /nfs/dbraw/zinc/71/11/74/411711174.db2.gz XPDTWZWUAHMZSQ-SNVBAGLBSA-N 1 2 237.303 1.163 20 0 BCADLO Cc1cc(NCC2([S@@](C)=O)CC2)nc[nH+]1 ZINC000336742986 411647801 /nfs/dbraw/zinc/64/78/01/411647801.db2.gz XLAXBAYYAFZRGJ-HNNXBMFYSA-N 1 2 225.317 1.108 20 0 BCADLO COCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000663403159 411649467 /nfs/dbraw/zinc/64/94/67/411649467.db2.gz IDTXZEABYJXENI-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO COCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000663403159 411649469 /nfs/dbraw/zinc/64/94/69/411649469.db2.gz IDTXZEABYJXENI-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000362014174 170507499 /nfs/dbraw/zinc/50/74/99/170507499.db2.gz LLRNDIVAFROLRQ-ZJUUUORDSA-N 1 2 241.291 0.662 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)[nH]1 ZINC000661139651 411716830 /nfs/dbraw/zinc/71/68/30/411716830.db2.gz JFIDEYUPNQVFHE-JTQLQIEISA-N 1 2 247.306 0.227 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)[nH]1 ZINC000661139651 411716833 /nfs/dbraw/zinc/71/68/33/411716833.db2.gz JFIDEYUPNQVFHE-JTQLQIEISA-N 1 2 247.306 0.227 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1CCCOC1 ZINC000660843866 411652364 /nfs/dbraw/zinc/65/23/64/411652364.db2.gz DDWIKYSBNBTGGN-ZETCQYMHSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1CCCOC1 ZINC000660843866 411652366 /nfs/dbraw/zinc/65/23/66/411652366.db2.gz DDWIKYSBNBTGGN-ZETCQYMHSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCCOC1 ZINC000660843865 411652793 /nfs/dbraw/zinc/65/27/93/411652793.db2.gz DDWIKYSBNBTGGN-SSDOTTSWSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCCOC1 ZINC000660843865 411652795 /nfs/dbraw/zinc/65/27/95/411652795.db2.gz DDWIKYSBNBTGGN-SSDOTTSWSA-N 1 2 213.237 0.386 20 0 BCADLO Cc1cc(NCc2c[nH+]cn2C)nnc1C ZINC000336746435 411654401 /nfs/dbraw/zinc/65/44/01/411654401.db2.gz WIAXIYOACMJTTR-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849157 411655489 /nfs/dbraw/zinc/65/54/89/411655489.db2.gz FTMOAQVPGSGGJU-ZETCQYMHSA-N 1 2 242.279 0.122 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849157 411655492 /nfs/dbraw/zinc/65/54/92/411655492.db2.gz FTMOAQVPGSGGJU-ZETCQYMHSA-N 1 2 242.279 0.122 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCO1 ZINC000660848837 411656476 /nfs/dbraw/zinc/65/64/76/411656476.db2.gz BZYQRVRAYRZDIG-ZETCQYMHSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCO1 ZINC000660848837 411656480 /nfs/dbraw/zinc/65/64/80/411656480.db2.gz BZYQRVRAYRZDIG-ZETCQYMHSA-N 1 2 213.237 0.386 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845794 411656718 /nfs/dbraw/zinc/65/67/18/411656718.db2.gz AKNGLKDEJNQCTJ-UHFFFAOYSA-N 1 2 242.279 0.075 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845794 411656721 /nfs/dbraw/zinc/65/67/21/411656721.db2.gz AKNGLKDEJNQCTJ-UHFFFAOYSA-N 1 2 242.279 0.075 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660846079 411657047 /nfs/dbraw/zinc/65/70/47/411657047.db2.gz FISGPVZISLLSJS-UHFFFAOYSA-N 1 2 223.236 0.141 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660846079 411657053 /nfs/dbraw/zinc/65/70/53/411657053.db2.gz FISGPVZISLLSJS-UHFFFAOYSA-N 1 2 223.236 0.141 20 0 BCADLO Cc1cc(N[C@@H]2CNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000547708374 411658672 /nfs/dbraw/zinc/65/86/72/411658672.db2.gz HDARWHKRYLESGN-VIFPVBQESA-N 1 2 232.287 0.963 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](OC(C)C)C2)C1=O ZINC000660896466 411663491 /nfs/dbraw/zinc/66/34/91/411663491.db2.gz PQQXUOLSBNJVTQ-GHMZBOCLSA-N 1 2 242.319 0.648 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](OC(C)C)C2)C1=O ZINC000660896466 411663494 /nfs/dbraw/zinc/66/34/94/411663494.db2.gz PQQXUOLSBNJVTQ-GHMZBOCLSA-N 1 2 242.319 0.648 20 0 BCADLO CCc1nnc([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)[nH]1 ZINC000660900313 411665561 /nfs/dbraw/zinc/66/55/61/411665561.db2.gz GUHKYRJVTZBTCI-DJLDLDEBSA-N 1 2 240.307 0.432 20 0 BCADLO COc1cc(C[NH+]2CC(C)(C(N)=O)C2)sn1 ZINC000660898920 411665942 /nfs/dbraw/zinc/66/59/42/411665942.db2.gz OOBAYRBTHKICJU-UHFFFAOYSA-N 1 2 241.316 0.459 20 0 BCADLO CO[C@@H](C)CCNc1cc(CO)cc[nH+]1 ZINC000641333810 411666392 /nfs/dbraw/zinc/66/63/92/411666392.db2.gz PSAJJUIOFSLMGK-VIFPVBQESA-N 1 2 210.277 1.411 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000361371968 411669739 /nfs/dbraw/zinc/66/97/39/411669739.db2.gz JWGCUOFNSVBGMM-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000361371968 411669742 /nfs/dbraw/zinc/66/97/42/411669742.db2.gz JWGCUOFNSVBGMM-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1coc(C)n1 ZINC000660913725 411670842 /nfs/dbraw/zinc/67/08/42/411670842.db2.gz ICYNJQDLDSZMLT-WDEREUQCSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1coc(C)n1 ZINC000660913725 411670845 /nfs/dbraw/zinc/67/08/45/411670845.db2.gz ICYNJQDLDSZMLT-WDEREUQCSA-N 1 2 226.276 0.565 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ccnc(C)c1 ZINC000391248052 411682433 /nfs/dbraw/zinc/68/24/33/411682433.db2.gz BCCOCVBGFLPSFS-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ccnc(C)c1 ZINC000391248052 411682440 /nfs/dbraw/zinc/68/24/40/411682440.db2.gz BCCOCVBGFLPSFS-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](O)C(C)C ZINC000572617213 411682745 /nfs/dbraw/zinc/68/27/45/411682745.db2.gz WBVHQWZPVQYWLA-MRVPVSSYSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](O)C(C)C ZINC000572617213 411682748 /nfs/dbraw/zinc/68/27/48/411682748.db2.gz WBVHQWZPVQYWLA-MRVPVSSYSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](C)F ZINC000568248647 411683168 /nfs/dbraw/zinc/68/31/68/411683168.db2.gz WVZRJKYVYGRAAA-ZCFIWIBFSA-N 1 2 214.244 1.227 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](C)F ZINC000568248647 411683171 /nfs/dbraw/zinc/68/31/71/411683171.db2.gz WVZRJKYVYGRAAA-ZCFIWIBFSA-N 1 2 214.244 1.227 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CNC(=O)C1 ZINC000660955329 411687024 /nfs/dbraw/zinc/68/70/24/411687024.db2.gz OKZFEZYYOCGGDD-QMMMGPOBSA-N 1 2 244.254 0.409 20 0 BCADLO OCc1cc[nH+]c(NCC[C@H]2CCOC2)c1 ZINC000641487835 411690913 /nfs/dbraw/zinc/69/09/13/411690913.db2.gz UEGLLCGPVKVVME-JTQLQIEISA-N 1 2 222.288 1.412 20 0 BCADLO CC(C)COC[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661086027 411696185 /nfs/dbraw/zinc/69/61/85/411696185.db2.gz UAZGAUFNAMZENS-LBPRGKRZSA-N 1 2 241.335 0.875 20 0 BCADLO CC(C)COC[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661086027 411696190 /nfs/dbraw/zinc/69/61/90/411696190.db2.gz UAZGAUFNAMZENS-LBPRGKRZSA-N 1 2 241.335 0.875 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(N(C)C)no1 ZINC000661089237 411698738 /nfs/dbraw/zinc/69/87/38/411698738.db2.gz YTHDJBCPAHNXKZ-UHFFFAOYSA-N 1 2 236.279 0.491 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(N(C)C)no1 ZINC000661089237 411698741 /nfs/dbraw/zinc/69/87/41/411698741.db2.gz YTHDJBCPAHNXKZ-UHFFFAOYSA-N 1 2 236.279 0.491 20 0 BCADLO C[C@H](c1nnnn1C1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089479 411699448 /nfs/dbraw/zinc/69/94/48/411699448.db2.gz ALXCEFUJQFCZGG-MRVPVSSYSA-N 1 2 247.306 0.924 20 0 BCADLO C[C@H](c1nnnn1C1CC1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089479 411699449 /nfs/dbraw/zinc/69/94/49/411699449.db2.gz ALXCEFUJQFCZGG-MRVPVSSYSA-N 1 2 247.306 0.924 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](O)C(F)F ZINC000565230395 411734578 /nfs/dbraw/zinc/73/45/78/411734578.db2.gz RRIAARQPMJCZMN-ZETCQYMHSA-N 1 2 217.219 1.131 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)c1ncn(C)n1 ZINC000566572875 411735140 /nfs/dbraw/zinc/73/51/40/411735140.db2.gz XPMBVHPBLJJQDB-MRVPVSSYSA-N 1 2 232.291 1.395 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](C)S(C)(=O)=O ZINC000563424375 411735444 /nfs/dbraw/zinc/73/54/44/411735444.db2.gz CMOOFEUNCACGOD-QMMMGPOBSA-N 1 2 243.332 0.938 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](C)CCO ZINC000580013313 411735649 /nfs/dbraw/zinc/73/56/49/411735649.db2.gz KREUVUSAJLJIKI-MRVPVSSYSA-N 1 2 209.293 1.524 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC23CCOCC3)[nH]1 ZINC000661223473 411735638 /nfs/dbraw/zinc/73/56/38/411735638.db2.gz PPCLBYLQIVPCIV-UHFFFAOYSA-N 1 2 222.292 0.868 20 0 BCADLO Cc1nnc(C[N@H+]2CCC23CCOCC3)[nH]1 ZINC000661223473 411735641 /nfs/dbraw/zinc/73/56/41/411735641.db2.gz PPCLBYLQIVPCIV-UHFFFAOYSA-N 1 2 222.292 0.868 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H]1CNC(=O)C1 ZINC000568295333 411737323 /nfs/dbraw/zinc/73/73/23/411737323.db2.gz YJVWLWFXNGUGMZ-SECBINFHSA-N 1 2 220.276 0.641 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[S@](C)=O ZINC000580745860 411738265 /nfs/dbraw/zinc/73/82/65/411738265.db2.gz ZREKWOPXCHAKFI-VXJOIVPMSA-N 1 2 227.333 1.272 20 0 BCADLO CC[C@@](C)(O)CNc1nc[nH+]c2c1OCCN2 ZINC000647864562 411744004 /nfs/dbraw/zinc/74/40/04/411744004.db2.gz HCUJPRREVWLCMJ-LLVKDONJSA-N 1 2 238.291 0.854 20 0 BCADLO CC[C@@](C)(O)CNc1[nH+]cnc2c1OCCN2 ZINC000647864562 411744009 /nfs/dbraw/zinc/74/40/09/411744009.db2.gz HCUJPRREVWLCMJ-LLVKDONJSA-N 1 2 238.291 0.854 20 0 BCADLO CC[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)OC ZINC000357780682 411750466 /nfs/dbraw/zinc/75/04/66/411750466.db2.gz JKRNWAFQRLCQEN-SECBINFHSA-N 1 2 239.323 1.083 20 0 BCADLO CC[C@H](CNc1nc(C)[nH+]c(N(C)C)n1)OC ZINC000357780682 411750471 /nfs/dbraw/zinc/75/04/71/411750471.db2.gz JKRNWAFQRLCQEN-SECBINFHSA-N 1 2 239.323 1.083 20 0 BCADLO CC[C@H](O)CCCNc1nc[nH+]c(N)c1OC ZINC000398601766 411753607 /nfs/dbraw/zinc/75/36/07/411753607.db2.gz YXXZUMXVKLKFDS-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BCADLO CC[C@H](O)CCCNc1[nH+]cnc(N)c1OC ZINC000398601766 411753611 /nfs/dbraw/zinc/75/36/11/411753611.db2.gz YXXZUMXVKLKFDS-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BCADLO C[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000661349930 411754057 /nfs/dbraw/zinc/75/40/57/411754057.db2.gz YCNFTCAZAOXTSC-IUCAKERBSA-N 1 2 238.291 0.729 20 0 BCADLO C[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000661349930 411754061 /nfs/dbraw/zinc/75/40/61/411754061.db2.gz YCNFTCAZAOXTSC-IUCAKERBSA-N 1 2 238.291 0.729 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@H]2F)[nH+]1 ZINC000338844789 411761262 /nfs/dbraw/zinc/76/12/62/411761262.db2.gz RIXBIJNGAHBECQ-BDAKNGLRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@H]2F)nc(N(C)C)[nH+]1 ZINC000338844789 411761267 /nfs/dbraw/zinc/76/12/67/411761267.db2.gz RIXBIJNGAHBECQ-BDAKNGLRSA-N 1 2 239.298 1.549 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000661391492 411767342 /nfs/dbraw/zinc/76/73/42/411767342.db2.gz GHPRHIWMKADWOR-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000661391492 411767345 /nfs/dbraw/zinc/76/73/45/411767345.db2.gz GHPRHIWMKADWOR-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCCOC2)[nH+]1 ZINC000408353844 411767762 /nfs/dbraw/zinc/76/77/62/411767762.db2.gz FLUFDPWKNBVAPE-VIFPVBQESA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(N[C@H]2CCCOC2)nc(N(C)C)[nH+]1 ZINC000408353844 411767766 /nfs/dbraw/zinc/76/77/66/411767766.db2.gz FLUFDPWKNBVAPE-VIFPVBQESA-N 1 2 237.307 0.837 20 0 BCADLO O[C@@H]1CCN(Cc2c[nH+]c[nH]2)CC1(F)F ZINC000661407033 411768667 /nfs/dbraw/zinc/76/86/67/411768667.db2.gz LEWVILOGTBZQIO-MRVPVSSYSA-N 1 2 217.219 0.612 20 0 BCADLO O[C@@H]1CCN(Cc2c[nH]c[nH+]2)CC1(F)F ZINC000661407033 411768671 /nfs/dbraw/zinc/76/86/71/411768671.db2.gz LEWVILOGTBZQIO-MRVPVSSYSA-N 1 2 217.219 0.612 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661408691 411768784 /nfs/dbraw/zinc/76/87/84/411768784.db2.gz QXHDNYBBZQFISN-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661408691 411768785 /nfs/dbraw/zinc/76/87/85/411768785.db2.gz QXHDNYBBZQFISN-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)C2CC2)[nH+]1 ZINC000336778250 411768879 /nfs/dbraw/zinc/76/88/79/411768879.db2.gz KUIZMJZZLFSOPD-SSDOTTSWSA-N 1 2 221.308 1.456 20 0 BCADLO Cc1nc(N[C@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000336778250 411768882 /nfs/dbraw/zinc/76/88/82/411768882.db2.gz KUIZMJZZLFSOPD-SSDOTTSWSA-N 1 2 221.308 1.456 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000661402136 411769052 /nfs/dbraw/zinc/76/90/52/411769052.db2.gz UMPYIGWLQJPBJG-SECBINFHSA-N 1 2 231.246 0.622 20 0 BCADLO CCc1cc(NC[C@H](O)[C@H]2CCCO2)nc[nH+]1 ZINC000624513570 411769298 /nfs/dbraw/zinc/76/92/98/411769298.db2.gz BPFAGNLLOUUXMW-WDEREUQCSA-N 1 2 237.303 0.991 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2CC23CC3)[nH+]1 ZINC000566668628 411769377 /nfs/dbraw/zinc/76/93/77/411769377.db2.gz PMRMIIVUSMGJMC-SECBINFHSA-N 1 2 233.319 1.458 20 0 BCADLO Cc1nc(NC[C@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000566668628 411769379 /nfs/dbraw/zinc/76/93/79/411769379.db2.gz PMRMIIVUSMGJMC-SECBINFHSA-N 1 2 233.319 1.458 20 0 BCADLO CC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)COC1 ZINC000661400062 411769483 /nfs/dbraw/zinc/76/94/83/411769483.db2.gz MITPIYWDOPHGAC-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)COC1 ZINC000661400062 411769485 /nfs/dbraw/zinc/76/94/85/411769485.db2.gz MITPIYWDOPHGAC-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO CCc1cc(NCCCc2ncn(C)n2)nc[nH+]1 ZINC000645324746 411769879 /nfs/dbraw/zinc/76/98/79/411769879.db2.gz YOLYVNFAUMJHHB-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BCADLO COCc1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000663918441 411775403 /nfs/dbraw/zinc/77/54/03/411775403.db2.gz ACQKLWNKNPBBEV-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(c1cnccn1)C2 ZINC000663919550 411775705 /nfs/dbraw/zinc/77/57/05/411775705.db2.gz OTRKXWFJAJZBKS-UHFFFAOYSA-N 1 2 201.233 0.762 20 0 BCADLO Cc1nc(N[C@H](C)CC(N)=O)c2c([nH+]1)CCCC2 ZINC000359733577 411777934 /nfs/dbraw/zinc/77/79/34/411777934.db2.gz LJWWKPUFUALWAJ-MRVPVSSYSA-N 1 2 248.330 1.340 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443156 411778050 /nfs/dbraw/zinc/77/80/50/411778050.db2.gz LYZWJDMRDFZBQR-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443156 411778053 /nfs/dbraw/zinc/77/80/53/411778053.db2.gz LYZWJDMRDFZBQR-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO COc1nccc(CNc2nc(C)[nH+]cc2C)n1 ZINC000576648926 411778666 /nfs/dbraw/zinc/77/86/66/411778666.db2.gz VVKAWLAJQICUOT-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000661440776 411778803 /nfs/dbraw/zinc/77/88/03/411778803.db2.gz FAKOCUZGZAUHON-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000661440776 411778805 /nfs/dbraw/zinc/77/88/05/411778805.db2.gz FAKOCUZGZAUHON-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO CNC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661463105 411779790 /nfs/dbraw/zinc/77/97/90/411779790.db2.gz NHHWHYXPJFDRNE-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CNC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661463105 411779796 /nfs/dbraw/zinc/77/97/96/411779796.db2.gz NHHWHYXPJFDRNE-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cnnn1C ZINC000661461431 411780787 /nfs/dbraw/zinc/78/07/87/411780787.db2.gz DBBAKYSITGCAMA-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cnnn1C ZINC000661461431 411780790 /nfs/dbraw/zinc/78/07/90/411780790.db2.gz DBBAKYSITGCAMA-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO Cc1nc(N[C@@H](C)c2n[nH]c(=O)n2C)cc[nH+]1 ZINC000631336159 411786210 /nfs/dbraw/zinc/78/62/10/411786210.db2.gz NOTABDNFWWAYIW-LURJTMIESA-N 1 2 234.263 0.792 20 0 BCADLO Cc1nc(NCc2nc(N(C)C)n[nH]2)cc[nH+]1 ZINC000641680439 411788201 /nfs/dbraw/zinc/78/82/01/411788201.db2.gz QCUMLINPLKVUPO-UHFFFAOYSA-N 1 2 233.279 0.581 20 0 BCADLO Cc1nccnc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000357267989 411790137 /nfs/dbraw/zinc/79/01/37/411790137.db2.gz WNOPLPIRFTWKMO-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BCADLO Cc1nccnc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000357267989 411790141 /nfs/dbraw/zinc/79/01/41/411790141.db2.gz WNOPLPIRFTWKMO-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BCADLO CCOc1nccnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000578825641 411720464 /nfs/dbraw/zinc/72/04/64/411720464.db2.gz JZHQVHHYQVIIPL-SNVBAGLBSA-N 1 2 247.302 1.572 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000664133192 411864798 /nfs/dbraw/zinc/86/47/98/411864798.db2.gz DPWMIKFKPFZTPW-NSHDSACASA-N 1 2 228.255 0.352 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2CCNC2=O)c1Cl ZINC000664133263 411864834 /nfs/dbraw/zinc/86/48/34/411864834.db2.gz GMTJFDAOGWNZON-BYPYZUCNSA-N 1 2 227.655 0.013 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2CCNC2=O)c1Cl ZINC000664133263 411864837 /nfs/dbraw/zinc/86/48/37/411864837.db2.gz GMTJFDAOGWNZON-BYPYZUCNSA-N 1 2 227.655 0.013 20 0 BCADLO Cc1nnc(C[N@H+](C)CCC(C)(C)O)o1 ZINC000661528834 411795737 /nfs/dbraw/zinc/79/57/37/411795737.db2.gz OYSYSNUMCSHBRK-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCC(C)(C)O)o1 ZINC000661528834 411795740 /nfs/dbraw/zinc/79/57/40/411795740.db2.gz OYSYSNUMCSHBRK-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCOC(C)(C)C2)o1 ZINC000342102872 411796686 /nfs/dbraw/zinc/79/66/86/411796686.db2.gz ALJLZHAFOBAPBP-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCOC(C)(C)C2)o1 ZINC000342102872 411796692 /nfs/dbraw/zinc/79/66/92/411796692.db2.gz ALJLZHAFOBAPBP-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C(C)C)o1 ZINC000661528990 411796677 /nfs/dbraw/zinc/79/66/77/411796677.db2.gz XICBOSKJUSRMIL-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C(C)C)o1 ZINC000661528990 411796681 /nfs/dbraw/zinc/79/66/81/411796681.db2.gz XICBOSKJUSRMIL-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000370429609 411798167 /nfs/dbraw/zinc/79/81/67/411798167.db2.gz BXYLGCZFNWIBRI-JTQLQIEISA-N 1 2 238.291 0.653 20 0 BCADLO Cc1nnc(NC[C@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000370429609 411798173 /nfs/dbraw/zinc/79/81/73/411798173.db2.gz BXYLGCZFNWIBRI-JTQLQIEISA-N 1 2 238.291 0.653 20 0 BCADLO C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H](C)C1=O ZINC000661551185 411799113 /nfs/dbraw/zinc/79/91/13/411799113.db2.gz OUPIEJBVKXIPKX-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO Cc1nnc(NCc2ccc[nH+]c2N(C)C)o1 ZINC000339976983 411800713 /nfs/dbraw/zinc/80/07/13/411800713.db2.gz OXSLPAGCLCDUTC-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BCADLO Cc1nc(N2Cc3c(N)nn(C)c3C2)cc[nH+]1 ZINC000663997435 411806337 /nfs/dbraw/zinc/80/63/37/411806337.db2.gz ZFOAEKDEDXTUDX-UHFFFAOYSA-N 1 2 230.275 0.621 20 0 BCADLO Cc1cc(N2Cc3c(N)nn(C)c3C2)nc[nH+]1 ZINC000663995445 411806662 /nfs/dbraw/zinc/80/66/62/411806662.db2.gz FDIBDVICHJWRMR-UHFFFAOYSA-N 1 2 230.275 0.621 20 0 BCADLO COCC[C@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000379878509 411865582 /nfs/dbraw/zinc/86/55/82/411865582.db2.gz AFVUQAFHOJGPNJ-MRVPVSSYSA-N 1 2 241.295 0.226 20 0 BCADLO COCC[C@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000379878509 411865584 /nfs/dbraw/zinc/86/55/84/411865584.db2.gz AFVUQAFHOJGPNJ-MRVPVSSYSA-N 1 2 241.295 0.226 20 0 BCADLO C[N@@H+](Cc1nccs1)C[C@H]1COCCO1 ZINC000661612177 411816065 /nfs/dbraw/zinc/81/60/65/411816065.db2.gz KVISLNFSFWHYRL-VIFPVBQESA-N 1 2 228.317 0.990 20 0 BCADLO C[N@H+](Cc1nccs1)C[C@H]1COCCO1 ZINC000661612177 411816068 /nfs/dbraw/zinc/81/60/68/411816068.db2.gz KVISLNFSFWHYRL-VIFPVBQESA-N 1 2 228.317 0.990 20 0 BCADLO Cc1cnc(C[NH+]2CCC(O)(CO)CC2)s1 ZINC000661619470 411817876 /nfs/dbraw/zinc/81/78/76/411817876.db2.gz UHJVRRKWQOEXNM-UHFFFAOYSA-N 1 2 242.344 0.771 20 0 BCADLO Cc1nc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)no1 ZINC000661621728 411820597 /nfs/dbraw/zinc/82/05/97/411820597.db2.gz DIQGUUXMHDGJGU-YUMQZZPRSA-N 1 2 225.292 0.827 20 0 BCADLO COc1ccnc(NCc2c[nH+]c(C)nc2N)n1 ZINC000631315099 411866143 /nfs/dbraw/zinc/86/61/43/411866143.db2.gz KANXXHMKNVLBSQ-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CC2=CCCOC2)C1=O ZINC000661653476 411831118 /nfs/dbraw/zinc/83/11/18/411831118.db2.gz KDIHEPHKCFTWBM-NSHDSACASA-N 1 2 240.303 0.427 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CC2=CCCOC2)C1=O ZINC000661653476 411831121 /nfs/dbraw/zinc/83/11/21/411831121.db2.gz KDIHEPHKCFTWBM-NSHDSACASA-N 1 2 240.303 0.427 20 0 BCADLO C[C@@H](Nc1nncs1)[C@H](C)[NH+]1CCOCC1 ZINC000582341573 411831254 /nfs/dbraw/zinc/83/12/54/411831254.db2.gz WMOGKFHFHWHAQY-BDAKNGLRSA-N 1 2 242.348 1.059 20 0 BCADLO C[C@]12COC[C@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC000661704157 411836272 /nfs/dbraw/zinc/83/62/72/411836272.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000661704157 411836274 /nfs/dbraw/zinc/83/62/74/411836274.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC000661704157 411836276 /nfs/dbraw/zinc/83/62/76/411836276.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000661704157 411836278 /nfs/dbraw/zinc/83/62/78/411836278.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000661704157 411836284 /nfs/dbraw/zinc/83/62/84/411836284.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC000661704159 411836597 /nfs/dbraw/zinc/83/65/97/411836597.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000661704159 411836600 /nfs/dbraw/zinc/83/66/00/411836600.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC000661704159 411836602 /nfs/dbraw/zinc/83/66/02/411836602.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000661704159 411836604 /nfs/dbraw/zinc/83/66/04/411836604.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000661704159 411836609 /nfs/dbraw/zinc/83/66/09/411836609.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 1 2 208.265 0.273 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000366749165 411841415 /nfs/dbraw/zinc/84/14/15/411841415.db2.gz NKSBHRMABWUTLX-QMMMGPOBSA-N 1 2 245.286 1.202 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661703527 411847607 /nfs/dbraw/zinc/84/76/07/411847607.db2.gz UHWBHANILUJLEE-ONGXEEELSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661703527 411847610 /nfs/dbraw/zinc/84/76/10/411847610.db2.gz UHWBHANILUJLEE-ONGXEEELSA-N 1 2 223.276 0.846 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000602889730 411847975 /nfs/dbraw/zinc/84/79/75/411847975.db2.gz UGWIBSJQRHURRP-UHFFFAOYSA-N 1 2 246.318 0.220 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000602889730 411847981 /nfs/dbraw/zinc/84/79/81/411847981.db2.gz UGWIBSJQRHURRP-UHFFFAOYSA-N 1 2 246.318 0.220 20 0 BCADLO Cc1ccc(Cn2cc(CO)nn2)c(C)[nH+]1 ZINC000664085903 411848502 /nfs/dbraw/zinc/84/85/02/411848502.db2.gz IQWFYTJSRSSWPG-UHFFFAOYSA-N 1 2 218.260 0.831 20 0 BCADLO CN(C)c1cnn(CCc2c[nH+]cn2C)c(=O)c1 ZINC000664089806 411850562 /nfs/dbraw/zinc/85/05/62/411850562.db2.gz KNELHMYSZMQSDL-UHFFFAOYSA-N 1 2 247.302 0.286 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000574287220 411857895 /nfs/dbraw/zinc/85/78/95/411857895.db2.gz CNMVNFFJVYQSLT-QMMMGPOBSA-N 1 2 237.307 0.188 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000574287220 411857897 /nfs/dbraw/zinc/85/78/97/411857897.db2.gz CNMVNFFJVYQSLT-QMMMGPOBSA-N 1 2 237.307 0.188 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723346 411858353 /nfs/dbraw/zinc/85/83/53/411858353.db2.gz JZHZJEQFCGRJFG-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723346 411858356 /nfs/dbraw/zinc/85/83/56/411858356.db2.gz JZHZJEQFCGRJFG-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723419 411859342 /nfs/dbraw/zinc/85/93/42/411859342.db2.gz MPSZVEOPHYZMPF-HOTUBEGUSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723419 411859344 /nfs/dbraw/zinc/85/93/44/411859344.db2.gz MPSZVEOPHYZMPF-HOTUBEGUSA-N 1 2 249.318 0.526 20 0 BCADLO CCOC(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000422782608 411859585 /nfs/dbraw/zinc/85/95/85/411859585.db2.gz GSRBOPCHYUPBJV-UHFFFAOYSA-N 1 2 249.270 0.946 20 0 BCADLO Cc1cncc(CC[N@@H+](C)Cc2cn(C)nn2)n1 ZINC000661744592 411861831 /nfs/dbraw/zinc/86/18/31/411861831.db2.gz XJEAVYHMTARGPU-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO Cc1cncc(CC[N@H+](C)Cc2cn(C)nn2)n1 ZINC000661744592 411861834 /nfs/dbraw/zinc/86/18/34/411861834.db2.gz XJEAVYHMTARGPU-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO Cn1cc(C[N@H+](C)CCC(C)(C)O)nn1 ZINC000661743110 411861944 /nfs/dbraw/zinc/86/19/44/411861944.db2.gz DBIGJAXOBNEOCH-UHFFFAOYSA-N 1 2 212.297 0.408 20 0 BCADLO Cn1cc(C[N@@H+](C)CCC(C)(C)O)nn1 ZINC000661743110 411861946 /nfs/dbraw/zinc/86/19/46/411861946.db2.gz DBIGJAXOBNEOCH-UHFFFAOYSA-N 1 2 212.297 0.408 20 0 BCADLO COCc1cc(N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000664126706 411862504 /nfs/dbraw/zinc/86/25/04/411862504.db2.gz IZIVPVSYHNDEHJ-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO COCc1cc(N(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000664126706 411862508 /nfs/dbraw/zinc/86/25/08/411862508.db2.gz IZIVPVSYHNDEHJ-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000661811804 411890467 /nfs/dbraw/zinc/89/04/67/411890467.db2.gz ZLEPVZKMIDJKQC-QMMMGPOBSA-N 1 2 238.291 0.603 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000661811804 411890468 /nfs/dbraw/zinc/89/04/68/411890468.db2.gz ZLEPVZKMIDJKQC-QMMMGPOBSA-N 1 2 238.291 0.603 20 0 BCADLO OCCO[C@]1(CNc2cccc[nH+]2)CCOC1 ZINC000664238357 411893442 /nfs/dbraw/zinc/89/34/42/411893442.db2.gz HOZQSMSKXGJEKC-LBPRGKRZSA-N 1 2 238.287 0.662 20 0 BCADLO CCC1(O)CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631133836 411894944 /nfs/dbraw/zinc/89/49/44/411894944.db2.gz YFQXMZNSEUQWJR-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO CCC1(O)CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631133836 411894949 /nfs/dbraw/zinc/89/49/49/411894949.db2.gz YFQXMZNSEUQWJR-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO Cc1nnc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000664242879 411895582 /nfs/dbraw/zinc/89/55/82/411895582.db2.gz QHUXBOHTWITULR-DTWKUNHWSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1nnc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000664242879 411895585 /nfs/dbraw/zinc/89/55/85/411895585.db2.gz QHUXBOHTWITULR-DTWKUNHWSA-N 1 2 240.307 0.899 20 0 BCADLO Nc1cccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000132322444 411897722 /nfs/dbraw/zinc/89/77/22/411897722.db2.gz HZRPTXSJJMAINH-UHFFFAOYSA-N 1 2 245.286 0.680 20 0 BCADLO CCc1nocc1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631284638 411901252 /nfs/dbraw/zinc/90/12/52/411901252.db2.gz YMLNOGUAUKUOME-UHFFFAOYSA-N 1 2 248.290 0.949 20 0 BCADLO CCc1nocc1CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631284638 411901259 /nfs/dbraw/zinc/90/12/59/411901259.db2.gz YMLNOGUAUKUOME-UHFFFAOYSA-N 1 2 248.290 0.949 20 0 BCADLO CCn1nccc1CNc1nc(C)[nH+]c(N)n1 ZINC000631385694 411904295 /nfs/dbraw/zinc/90/42/95/411904295.db2.gz RHVZAFVVGILXKH-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BCADLO CCn1nccc1CNc1nc(N)nc(C)[nH+]1 ZINC000631385694 411904297 /nfs/dbraw/zinc/90/42/97/411904297.db2.gz RHVZAFVVGILXKH-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000631183132 411942514 /nfs/dbraw/zinc/94/25/14/411942514.db2.gz ADFZWRUFEMMKTO-DTWKUNHWSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000631183132 411942519 /nfs/dbraw/zinc/94/25/19/411942519.db2.gz ADFZWRUFEMMKTO-DTWKUNHWSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(NCCCCOC(C)C)nc(N)[nH+]1 ZINC000383541217 411942656 /nfs/dbraw/zinc/94/26/56/411942656.db2.gz UKIGTNGANKGDMN-UHFFFAOYSA-N 1 2 239.323 0.801 20 0 BCADLO Cc1nc(N)nc(NCCCCOC(C)C)[nH+]1 ZINC000383541217 411942661 /nfs/dbraw/zinc/94/26/61/411942661.db2.gz UKIGTNGANKGDMN-UHFFFAOYSA-N 1 2 239.323 0.801 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2nccc(N)n2)C1 ZINC000374372368 411911996 /nfs/dbraw/zinc/91/19/96/411911996.db2.gz ZINFCVLAEMTNSP-VIFPVBQESA-N 1 2 222.292 0.527 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000374372368 411912000 /nfs/dbraw/zinc/91/20/00/411912000.db2.gz ZINFCVLAEMTNSP-VIFPVBQESA-N 1 2 222.292 0.527 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccsn2)c[nH+]1 ZINC000622596890 411914557 /nfs/dbraw/zinc/91/45/57/411914557.db2.gz NBDSJLIVNZKDFU-UHFFFAOYSA-N 1 2 249.299 0.754 20 0 BCADLO Cc1occc1CNc1nc(C)[nH+]c(N)n1 ZINC000631070673 411924348 /nfs/dbraw/zinc/92/43/48/411924348.db2.gz COJMZYOIYXLYQN-UHFFFAOYSA-N 1 2 219.248 0.698 20 0 BCADLO Cc1occc1CNc1nc(N)nc(C)[nH+]1 ZINC000631070673 411924355 /nfs/dbraw/zinc/92/43/55/411924355.db2.gz COJMZYOIYXLYQN-UHFFFAOYSA-N 1 2 219.248 0.698 20 0 BCADLO Cc1nc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc[nH+]1 ZINC000664342377 411925577 /nfs/dbraw/zinc/92/55/77/411925577.db2.gz JCILNBILSCOQBG-WDEREUQCSA-N 1 2 246.314 0.890 20 0 BCADLO Cc1nc(NCC2CC(C)C2)nc(N)[nH+]1 ZINC000631379899 411943264 /nfs/dbraw/zinc/94/32/64/411943264.db2.gz OWKKRLZSHHIMLW-UHFFFAOYSA-N 1 2 207.281 0.642 20 0 BCADLO Cc1nc(N)nc(NCC2CC(C)C2)[nH+]1 ZINC000631379899 411943269 /nfs/dbraw/zinc/94/32/69/411943269.db2.gz OWKKRLZSHHIMLW-UHFFFAOYSA-N 1 2 207.281 0.642 20 0 BCADLO Cc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)nc[nH+]1 ZINC000664340451 411926136 /nfs/dbraw/zinc/92/61/36/411926136.db2.gz ZIJPUXCNIICYAZ-WDEREUQCSA-N 1 2 246.314 0.890 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccon1 ZINC000661971291 411926625 /nfs/dbraw/zinc/92/66/25/411926625.db2.gz BVMVSTRACRXYCA-IUCAKERBSA-N 1 2 221.260 0.955 20 0 BCADLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1ccon1 ZINC000661971291 411926630 /nfs/dbraw/zinc/92/66/30/411926630.db2.gz BVMVSTRACRXYCA-IUCAKERBSA-N 1 2 221.260 0.955 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661972687 411928915 /nfs/dbraw/zinc/92/89/15/411928915.db2.gz JUYYFOOQDHYFAW-RKDXNWHRSA-N 1 2 248.334 0.362 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661972687 411928918 /nfs/dbraw/zinc/92/89/18/411928918.db2.gz JUYYFOOQDHYFAW-RKDXNWHRSA-N 1 2 248.334 0.362 20 0 BCADLO Nc1ncc2c(n1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC000623292531 411936697 /nfs/dbraw/zinc/93/66/97/411936697.db2.gz RMJXURCXVDUTAN-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO Nc1ncc2c(n1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC000623292531 411936701 /nfs/dbraw/zinc/93/67/01/411936701.db2.gz RMJXURCXVDUTAN-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO Cc1nc(N(C)CCc2ccccn2)nc(N)[nH+]1 ZINC000385034253 411939763 /nfs/dbraw/zinc/93/97/63/411939763.db2.gz IBBKEIXPAPSPPU-UHFFFAOYSA-N 1 2 244.302 0.836 20 0 BCADLO Cc1nc(N)nc(N(C)CCc2ccccn2)[nH+]1 ZINC000385034253 411939767 /nfs/dbraw/zinc/93/97/67/411939767.db2.gz IBBKEIXPAPSPPU-UHFFFAOYSA-N 1 2 244.302 0.836 20 0 BCADLO Nc1nc(N[C@@H]2COC[C@H]2O)[nH+]c2ccccc12 ZINC000519311001 411941330 /nfs/dbraw/zinc/94/13/30/411941330.db2.gz LHDXPBCJVWAVAW-NXEZZACHSA-N 1 2 246.270 0.384 20 0 BCADLO CS[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000381538280 411872334 /nfs/dbraw/zinc/87/23/34/411872334.db2.gz HNHIMSFKWQINCR-LURJTMIESA-N 1 2 240.332 0.735 20 0 BCADLO CSCCCNc1nc(C)[nH+]c(N)n1 ZINC000379508221 411872546 /nfs/dbraw/zinc/87/25/46/411872546.db2.gz OHBQOODLJKDPSO-UHFFFAOYSA-N 1 2 213.310 0.349 20 0 BCADLO CSCCCNc1nc(N)nc(C)[nH+]1 ZINC000379508221 411872548 /nfs/dbraw/zinc/87/25/48/411872548.db2.gz OHBQOODLJKDPSO-UHFFFAOYSA-N 1 2 213.310 0.349 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117312 411876692 /nfs/dbraw/zinc/87/66/92/411876692.db2.gz LILDQIJCZGGMBA-HQJQHLMTSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117312 411876699 /nfs/dbraw/zinc/87/66/99/411876699.db2.gz LILDQIJCZGGMBA-HQJQHLMTSA-N 1 2 239.323 0.393 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000661768488 411881930 /nfs/dbraw/zinc/88/19/30/411881930.db2.gz XCOSSSIDWSSUTM-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000661768488 411881935 /nfs/dbraw/zinc/88/19/35/411881935.db2.gz XCOSSSIDWSSUTM-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO CC[C@@H]1OCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631300205 411883022 /nfs/dbraw/zinc/88/30/22/411883022.db2.gz BNNHFGBYDZNGMO-SFYZADRCSA-N 1 2 223.280 0.742 20 0 BCADLO CC[C@@H]1OCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631300205 411883027 /nfs/dbraw/zinc/88/30/27/411883027.db2.gz BNNHFGBYDZNGMO-SFYZADRCSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N2CC[C@@]3(CC3(F)F)C2)nc(N)[nH+]1 ZINC000631332616 411963883 /nfs/dbraw/zinc/96/38/83/411963883.db2.gz JNZQPHJJWVHYHI-SECBINFHSA-N 1 2 241.245 0.998 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@]3(CC3(F)F)C2)[nH+]1 ZINC000631332616 411963887 /nfs/dbraw/zinc/96/38/87/411963887.db2.gz JNZQPHJJWVHYHI-SECBINFHSA-N 1 2 241.245 0.998 20 0 BCADLO Cc1nc(N2CCOC3(CCC3)C2)nc(N)[nH+]1 ZINC000631187007 411963998 /nfs/dbraw/zinc/96/39/98/411963998.db2.gz XGMNWXXUWRSUJE-UHFFFAOYSA-N 1 2 235.291 0.522 20 0 BCADLO Cc1nc(N)nc(N2CCOC3(CCC3)C2)[nH+]1 ZINC000631187007 411964004 /nfs/dbraw/zinc/96/40/04/411964004.db2.gz XGMNWXXUWRSUJE-UHFFFAOYSA-N 1 2 235.291 0.522 20 0 BCADLO Cc1nc(N2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000380023489 411964107 /nfs/dbraw/zinc/96/41/07/411964107.db2.gz OSHKVMXXPSGPMS-SSDOTTSWSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H](C)C2)[nH+]1 ZINC000380023489 411964112 /nfs/dbraw/zinc/96/41/12/411964112.db2.gz OSHKVMXXPSGPMS-SSDOTTSWSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N2CCC[C@@H]2C[C@@H](C)O)nc(N)[nH+]1 ZINC000631179469 411964776 /nfs/dbraw/zinc/96/47/76/411964776.db2.gz SMZKJMCUCLGDBM-VXNVDRBHSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2C[C@@H](C)O)[nH+]1 ZINC000631179469 411964780 /nfs/dbraw/zinc/96/47/80/411964780.db2.gz SMZKJMCUCLGDBM-VXNVDRBHSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N[C@@H]2COC(C)(C)C2)nc(N)[nH+]1 ZINC000396461664 411967344 /nfs/dbraw/zinc/96/73/44/411967344.db2.gz JPHRNBOAKIFEDW-ZETCQYMHSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2COC(C)(C)C2)[nH+]1 ZINC000396461664 411967357 /nfs/dbraw/zinc/96/73/57/411967357.db2.gz JPHRNBOAKIFEDW-ZETCQYMHSA-N 1 2 223.280 0.742 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCC2(COC2)C1 ZINC000662077206 411970288 /nfs/dbraw/zinc/97/02/88/411970288.db2.gz CGMNSYUESSBKHY-UHFFFAOYSA-N 1 2 235.291 0.230 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCC2(COC2)C1 ZINC000662077206 411970291 /nfs/dbraw/zinc/97/02/91/411970291.db2.gz CGMNSYUESSBKHY-UHFFFAOYSA-N 1 2 235.291 0.230 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662118555 411990619 /nfs/dbraw/zinc/99/06/19/411990619.db2.gz GIKGITSEYMALIC-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662118555 411990622 /nfs/dbraw/zinc/99/06/22/411990622.db2.gz GIKGITSEYMALIC-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2nccnc2C1 ZINC000662119922 411992433 /nfs/dbraw/zinc/99/24/33/411992433.db2.gz ZUCIQAJKVXYFRI-LBPRGKRZSA-N 1 2 235.287 0.175 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCc2nccnc2C1 ZINC000662119922 411992435 /nfs/dbraw/zinc/99/24/35/411992435.db2.gz ZUCIQAJKVXYFRI-LBPRGKRZSA-N 1 2 235.287 0.175 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](O)C1 ZINC000664642544 412002865 /nfs/dbraw/zinc/00/28/65/412002865.db2.gz WDFHEHCCQHOMAQ-ZKCHVHJHSA-N 1 2 209.249 0.729 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@@]1(C)CO ZINC000662145048 412006854 /nfs/dbraw/zinc/00/68/54/412006854.db2.gz WALYYNKXXKKHRE-KOLCDFICSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@@]1(C)CO ZINC000662145048 412006858 /nfs/dbraw/zinc/00/68/58/412006858.db2.gz WALYYNKXXKKHRE-KOLCDFICSA-N 1 2 224.308 0.298 20 0 BCADLO CNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662162054 412013804 /nfs/dbraw/zinc/01/38/04/412013804.db2.gz NAARXPMWHGNQRQ-SNVBAGLBSA-N 1 2 244.241 0.334 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCC[C@@H]2O)nc(N)[nH+]1 ZINC000631183133 411944139 /nfs/dbraw/zinc/94/41/39/411944139.db2.gz ADFZWRUFEMMKTO-IUCAKERBSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCC[C@@H]2O)[nH+]1 ZINC000631183133 411944142 /nfs/dbraw/zinc/94/41/42/411944142.db2.gz ADFZWRUFEMMKTO-IUCAKERBSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(NC[C@H]2CCSC2)nc(N)[nH+]1 ZINC000379773333 411944722 /nfs/dbraw/zinc/94/47/22/411944722.db2.gz BKUARJCPIYNQSJ-SSDOTTSWSA-N 1 2 225.321 0.349 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCSC2)[nH+]1 ZINC000379773333 411944727 /nfs/dbraw/zinc/94/47/27/411944727.db2.gz BKUARJCPIYNQSJ-SSDOTTSWSA-N 1 2 225.321 0.349 20 0 BCADLO Cc1nc(NC[C@@H]2CCC[C@@H](C)O2)nc(N)[nH+]1 ZINC000631368259 411945063 /nfs/dbraw/zinc/94/50/63/411945063.db2.gz AOXDBKGIDXXIDG-APPZFPTMSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H](C)O2)[nH+]1 ZINC000631368259 411945067 /nfs/dbraw/zinc/94/50/67/411945067.db2.gz AOXDBKGIDXXIDG-APPZFPTMSA-N 1 2 237.307 0.554 20 0 BCADLO Cn1cc(NC(=O)NCc2ccc(N)[nH+]c2)cn1 ZINC000448542636 411948811 /nfs/dbraw/zinc/94/88/11/411948811.db2.gz MXDXOLGLRQOSAZ-UHFFFAOYSA-N 1 2 246.274 0.719 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@]2(O)C[C@H]2C1 ZINC000664423248 411951235 /nfs/dbraw/zinc/95/12/35/411951235.db2.gz VEHGAAUBOWFTNY-QPUJVOFHSA-N 1 2 245.286 0.324 20 0 BCADLO Cc1nc(N2CC[C@@]3(O)C[C@H]3C2)cc[nH+]1 ZINC000664424148 411951387 /nfs/dbraw/zinc/95/13/87/411951387.db2.gz QAGOSYAKBGNTHT-GXSJLCMTSA-N 1 2 205.261 0.746 20 0 BCADLO Nc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000647551971 411954990 /nfs/dbraw/zinc/95/49/90/411954990.db2.gz ZYIJYIYNTGWKDM-SNVBAGLBSA-N 1 2 225.267 0.834 20 0 BCADLO Nc1ccc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000647551971 411954992 /nfs/dbraw/zinc/95/49/92/411954992.db2.gz ZYIJYIYNTGWKDM-SNVBAGLBSA-N 1 2 225.267 0.834 20 0 BCADLO Nc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000647538928 411955667 /nfs/dbraw/zinc/95/56/67/411955667.db2.gz OCCDSHCQEIEUHM-ZJUUUORDSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000647538928 411955671 /nfs/dbraw/zinc/95/56/71/411955671.db2.gz OCCDSHCQEIEUHM-ZJUUUORDSA-N 1 2 225.267 0.569 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCCCCF ZINC000573814185 411956571 /nfs/dbraw/zinc/95/65/71/411956571.db2.gz CBPVADAUHXJMNO-UHFFFAOYSA-N 1 2 238.270 1.107 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037970 411956632 /nfs/dbraw/zinc/95/66/32/411956632.db2.gz VEXGQMAICJQPLA-BDAKNGLRSA-N 1 2 208.265 0.273 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037970 411956635 /nfs/dbraw/zinc/95/66/35/411956635.db2.gz VEXGQMAICJQPLA-BDAKNGLRSA-N 1 2 208.265 0.273 20 0 BCADLO Cn1nccc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293397 411959389 /nfs/dbraw/zinc/95/93/89/411959389.db2.gz TXYDYWXWQGLZLK-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO Cn1nccc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293397 411959394 /nfs/dbraw/zinc/95/93/94/411959394.db2.gz TXYDYWXWQGLZLK-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO Cc1nc(N2CCO[C@@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000380307321 411960989 /nfs/dbraw/zinc/96/09/89/411960989.db2.gz QATOWBUPDTZKPQ-RQJHMYQMSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C)[C@H]2C)[nH+]1 ZINC000380307321 411960992 /nfs/dbraw/zinc/96/09/92/411960992.db2.gz QATOWBUPDTZKPQ-RQJHMYQMSA-N 1 2 223.280 0.376 20 0 BCADLO C[C@@H](NC(=O)c1cnns1)c1[nH+]ccn1C ZINC000664454783 411961231 /nfs/dbraw/zinc/96/12/31/411961231.db2.gz ONJLDRABWMBVNR-ZCFIWIBFSA-N 1 2 237.288 0.763 20 0 BCADLO Cc1nc(N2CCC=C(F)C2)nc(N)[nH+]1 ZINC000631198488 411961653 /nfs/dbraw/zinc/96/16/53/411961653.db2.gz RRRBXNOMTAILFY-UHFFFAOYSA-N 1 2 209.228 0.826 20 0 BCADLO Cc1nc(N)nc(N2CCC=C(F)C2)[nH+]1 ZINC000631198488 411961657 /nfs/dbraw/zinc/96/16/57/411961657.db2.gz RRRBXNOMTAILFY-UHFFFAOYSA-N 1 2 209.228 0.826 20 0 BCADLO Cc1nc(N2CCO[C@@](C)(C3CC3)C2)nc(N)[nH+]1 ZINC000631351992 411962780 /nfs/dbraw/zinc/96/27/80/411962780.db2.gz WBKROYFHGMNDIH-GFCCVEGCSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@](C)(C3CC3)C2)[nH+]1 ZINC000631351992 411962784 /nfs/dbraw/zinc/96/27/84/411962784.db2.gz WBKROYFHGMNDIH-GFCCVEGCSA-N 1 2 249.318 0.768 20 0 BCADLO CCc1cc(NC[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000664459618 411963312 /nfs/dbraw/zinc/96/33/12/411963312.db2.gz AEIGESPBAFROFY-VIFPVBQESA-N 1 2 234.303 0.929 20 0 BCADLO Cc1nc(N2CCC[C@@H](CO)[C@@H]2C)nc(N)[nH+]1 ZINC000631303295 411963282 /nfs/dbraw/zinc/96/32/82/411963282.db2.gz MYBOLJWQSKLNDZ-CBAPKCEASA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H](CO)[C@@H]2C)[nH+]1 ZINC000631303295 411963287 /nfs/dbraw/zinc/96/32/87/411963287.db2.gz MYBOLJWQSKLNDZ-CBAPKCEASA-N 1 2 237.307 0.359 20 0 BCADLO Cc1cc(NC[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000664455547 411963344 /nfs/dbraw/zinc/96/33/44/411963344.db2.gz BRXHDSBJNQFDQR-VIFPVBQESA-N 1 2 220.276 0.675 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1nnc(C)s1)OC ZINC000662254291 412049421 /nfs/dbraw/zinc/04/94/21/412049421.db2.gz GXOMCIIMDDZUDS-SECBINFHSA-N 1 2 245.348 0.940 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1nnc(C)s1)OC ZINC000662254291 412049423 /nfs/dbraw/zinc/04/94/23/412049423.db2.gz GXOMCIIMDDZUDS-SECBINFHSA-N 1 2 245.348 0.940 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC1=CCSC1 ZINC000662268037 412060361 /nfs/dbraw/zinc/06/03/61/412060361.db2.gz MSZBFACVWUJUPM-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC1=CCSC1 ZINC000662268037 412060363 /nfs/dbraw/zinc/06/03/63/412060363.db2.gz MSZBFACVWUJUPM-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000662261601 412054960 /nfs/dbraw/zinc/05/49/60/412054960.db2.gz KJEXLPCSNOZPGT-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000662261601 412054961 /nfs/dbraw/zinc/05/49/61/412054961.db2.gz KJEXLPCSNOZPGT-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000268072090 171030340 /nfs/dbraw/zinc/03/03/40/171030340.db2.gz ASYIBHOFEMZJAL-ZJUUUORDSA-N 1 2 237.303 0.994 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2C)C[C@H]1O ZINC000271335803 171088156 /nfs/dbraw/zinc/08/81/56/171088156.db2.gz NROUQUOTGQYUJK-MWLCHTKSSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@H]1O ZINC000271335803 171088158 /nfs/dbraw/zinc/08/81/58/171088158.db2.gz NROUQUOTGQYUJK-MWLCHTKSSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000331018295 171102426 /nfs/dbraw/zinc/10/24/26/171102426.db2.gz YZPPIIHQGUGOMT-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1C[C@@H]1N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359497080 171121680 /nfs/dbraw/zinc/12/16/80/171121680.db2.gz OCJGDCOLEVPVND-QNSHHTMESA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1C[C@@H]1N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359497080 171121682 /nfs/dbraw/zinc/12/16/82/171121682.db2.gz OCJGDCOLEVPVND-QNSHHTMESA-N 1 2 248.286 0.671 20 0 BCADLO CC[C@@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329613971 171143759 /nfs/dbraw/zinc/14/37/59/171143759.db2.gz OZHRGTWXUNUWOK-YUMQZZPRSA-N 1 2 248.286 0.802 20 0 BCADLO CC[C@@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329613971 171143761 /nfs/dbraw/zinc/14/37/61/171143761.db2.gz OZHRGTWXUNUWOK-YUMQZZPRSA-N 1 2 248.286 0.802 20 0 BCADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000665059155 412070200 /nfs/dbraw/zinc/07/02/00/412070200.db2.gz SEYAEINUHDSNFJ-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CC[C@@](C)([NH2+]CCn1cccn1)C(=O)OC ZINC000293184745 171175740 /nfs/dbraw/zinc/17/57/40/171175740.db2.gz OAWHDIQRMGWZTO-LLVKDONJSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352698839 171240429 /nfs/dbraw/zinc/24/04/29/171240429.db2.gz NTTBDVVAZSLARU-BDAKNGLRSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352698839 171240431 /nfs/dbraw/zinc/24/04/31/171240431.db2.gz NTTBDVVAZSLARU-BDAKNGLRSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@H](C(=O)OC)N(C)Cc1[nH+]ccn1C ZINC000271048441 171240642 /nfs/dbraw/zinc/24/06/42/171240642.db2.gz WGVUNVZAOVZXQS-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000665059279 412075488 /nfs/dbraw/zinc/07/54/88/412075488.db2.gz FKWZOQNTKSDQFT-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352661924 171323655 /nfs/dbraw/zinc/32/36/55/171323655.db2.gz VQCLCFFABDHFNT-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352661924 171323656 /nfs/dbraw/zinc/32/36/56/171323656.db2.gz VQCLCFFABDHFNT-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643462 171331519 /nfs/dbraw/zinc/33/15/19/171331519.db2.gz QVOQPZMEPOOURG-VHSXEESVSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643462 171331521 /nfs/dbraw/zinc/33/15/21/171331521.db2.gz QVOQPZMEPOOURG-VHSXEESVSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280660534 171335308 /nfs/dbraw/zinc/33/53/08/171335308.db2.gz AJVOCEGYEOKGNX-ONGXEEELSA-N 1 2 238.335 0.938 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298629 412086078 /nfs/dbraw/zinc/08/60/78/412086078.db2.gz QGAHIDQKNWYVLS-QMMMGPOBSA-N 1 2 247.298 0.017 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298629 412086081 /nfs/dbraw/zinc/08/60/81/412086081.db2.gz QGAHIDQKNWYVLS-QMMMGPOBSA-N 1 2 247.298 0.017 20 0 BCADLO CCn1cnc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000665105598 412096261 /nfs/dbraw/zinc/09/62/61/412096261.db2.gz OUZAXIFARSYUAV-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662360820 412123474 /nfs/dbraw/zinc/12/34/74/412123474.db2.gz SPLBNFPTYILQPP-BRDIYROLSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662360820 412123478 /nfs/dbraw/zinc/12/34/78/412123478.db2.gz SPLBNFPTYILQPP-BRDIYROLSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@](C)(C(F)F)O1 ZINC000662362090 412123887 /nfs/dbraw/zinc/12/38/87/412123887.db2.gz FLZRYOPQVJLCLE-VHSKPIJISA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@](C)(C(F)F)O1 ZINC000662362090 412123892 /nfs/dbraw/zinc/12/38/92/412123892.db2.gz FLZRYOPQVJLCLE-VHSKPIJISA-N 1 2 248.273 0.619 20 0 BCADLO CC12CC(C1)C[N@@H+]2Cc1nnnn1C1CC1 ZINC000662381413 412134499 /nfs/dbraw/zinc/13/44/99/412134499.db2.gz YZNSFWUHPNBOOW-UHFFFAOYSA-N 1 2 219.292 0.992 20 0 BCADLO CC12CC(C1)C[N@H+]2Cc1nnnn1C1CC1 ZINC000662381413 412134502 /nfs/dbraw/zinc/13/45/02/412134502.db2.gz YZNSFWUHPNBOOW-UHFFFAOYSA-N 1 2 219.292 0.992 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000662382049 412134726 /nfs/dbraw/zinc/13/47/26/412134726.db2.gz DBHYNIBIPIJEMW-UHFFFAOYSA-N 1 2 248.334 0.504 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000662382049 412134728 /nfs/dbraw/zinc/13/47/28/412134728.db2.gz DBHYNIBIPIJEMW-UHFFFAOYSA-N 1 2 248.334 0.504 20 0 BCADLO Cn1ncc2c1nc(NC[C@H]1CC13CC3)[nH+]c2N ZINC000572381806 412193286 /nfs/dbraw/zinc/19/32/86/412193286.db2.gz COOMQKCQMVOACL-SSDOTTSWSA-N 1 2 244.302 1.158 20 0 BCADLO C[C@H](CCO)CCNc1cc(CO)cc[nH+]1 ZINC000641614162 412198130 /nfs/dbraw/zinc/19/81/30/412198130.db2.gz WNUSWHUONZFTQR-JTQLQIEISA-N 1 2 224.304 1.394 20 0 BCADLO C[C@H](CNc1nccn(C)c1=O)Cn1cc[nH+]c1 ZINC000360967057 412205170 /nfs/dbraw/zinc/20/51/70/412205170.db2.gz USKPAOAMZXVWBZ-SNVBAGLBSA-N 1 2 247.302 0.725 20 0 BCADLO Cn1c[nH+]c(CCNc2cc(C#N)cnn2)c1 ZINC000396972763 412152712 /nfs/dbraw/zinc/15/27/12/412152712.db2.gz CDVYOTGLFSHQDM-UHFFFAOYSA-N 1 2 228.259 0.736 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1nc2ccccn2n1 ZINC000624622308 412255766 /nfs/dbraw/zinc/25/57/66/412255766.db2.gz VZPMSBHSCARJBG-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1nc2ccccn2n1 ZINC000624622308 412255768 /nfs/dbraw/zinc/25/57/68/412255768.db2.gz VZPMSBHSCARJBG-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2nnc(C3CC3)o2)C1 ZINC000329363146 412256633 /nfs/dbraw/zinc/25/66/33/412256633.db2.gz HMZHHQJHAIGUQM-VIFPVBQESA-N 1 2 238.291 0.690 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2nnc(C3CC3)o2)C1 ZINC000329363146 412256636 /nfs/dbraw/zinc/25/66/36/412256636.db2.gz HMZHHQJHAIGUQM-VIFPVBQESA-N 1 2 238.291 0.690 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000573336484 412282144 /nfs/dbraw/zinc/28/21/44/412282144.db2.gz RKKDTVSAXSASAG-SSDOTTSWSA-N 1 2 247.302 1.567 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000573336484 412282145 /nfs/dbraw/zinc/28/21/45/412282145.db2.gz RKKDTVSAXSASAG-SSDOTTSWSA-N 1 2 247.302 1.567 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000156420247 171603311 /nfs/dbraw/zinc/60/33/11/171603311.db2.gz QWDXGOAWXWLQJJ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1ccon1 ZINC000625440933 412314030 /nfs/dbraw/zinc/31/40/30/412314030.db2.gz VZZHXVOLSKOTCV-UHFFFAOYSA-N 1 2 247.258 0.395 20 0 BCADLO CC(C)c1nc(NCCc2ncn(C)n2)cc[nH+]1 ZINC000436381758 412322215 /nfs/dbraw/zinc/32/22/15/412322215.db2.gz BHPRJXPYWHWERS-UHFFFAOYSA-N 1 2 246.318 1.383 20 0 BCADLO CC(C)c1nc(NC[C@@H]2COCCO2)cc[nH+]1 ZINC000599534166 412322538 /nfs/dbraw/zinc/32/25/38/412322538.db2.gz SDXLXWXCCRPVCF-SNVBAGLBSA-N 1 2 237.303 1.427 20 0 BCADLO CCn1cnc(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000665475488 412333319 /nfs/dbraw/zinc/33/33/19/412333319.db2.gz XKNJUGIIQNZZKR-UHFFFAOYSA-N 1 2 247.302 0.909 20 0 BCADLO COC(=O)c1cc(NCCn2cc[nH+]c2)ncn1 ZINC000603268544 412338685 /nfs/dbraw/zinc/33/86/85/412338685.db2.gz IHCOHFOHZVWVCU-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO CC[C@](C)([NH2+]CCN1CCCC1=O)C(=O)OC ZINC000352890669 171697959 /nfs/dbraw/zinc/69/79/59/171697959.db2.gz YMCVIKVOYDBHKI-LBPRGKRZSA-N 1 2 242.319 0.540 20 0 BCADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)nn1C ZINC000355161396 412343526 /nfs/dbraw/zinc/34/35/26/412343526.db2.gz KCYVCWBWKAPTMJ-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BCADLO CCCCc1cc(NCCNC(N)=O)nc[nH+]1 ZINC000631121643 412347333 /nfs/dbraw/zinc/34/73/33/412347333.db2.gz SFIHOGSKZGUEQT-UHFFFAOYSA-N 1 2 237.307 0.899 20 0 BCADLO C[C@@H](NC(=O)c1cnc(N)cn1)c1[nH+]ccn1C ZINC000662933204 412348482 /nfs/dbraw/zinc/34/84/82/412348482.db2.gz IHPYRLYHGSZKEC-SSDOTTSWSA-N 1 2 246.274 0.283 20 0 BCADLO C[C@@H](NC(=O)c1ccc(N)cn1)c1[nH+]ccn1C ZINC000662932455 412348582 /nfs/dbraw/zinc/34/85/82/412348582.db2.gz BODBZFCOSXOYJT-MRVPVSSYSA-N 1 2 245.286 0.888 20 0 BCADLO CCCN1C[C@H](CNc2cc[nH+]c(C)n2)CC1=O ZINC000420656916 412355619 /nfs/dbraw/zinc/35/56/19/412355619.db2.gz VRCWBWLGXFLEIR-NSHDSACASA-N 1 2 248.330 1.455 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334334420 412356774 /nfs/dbraw/zinc/35/67/74/412356774.db2.gz XNXXVPMGPRAZDL-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC000563333968 412358336 /nfs/dbraw/zinc/35/83/36/412358336.db2.gz HTVXHHKTNQXXAH-SECBINFHSA-N 1 2 233.275 1.504 20 0 BCADLO COCC[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000341414913 412374648 /nfs/dbraw/zinc/37/46/48/412374648.db2.gz XKZFWBYERNKOET-SNVBAGLBSA-N 1 2 239.319 1.409 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000663217911 412393492 /nfs/dbraw/zinc/39/34/92/412393492.db2.gz OOORMOGMAFJBTO-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000663217911 412393494 /nfs/dbraw/zinc/39/34/94/412393494.db2.gz OOORMOGMAFJBTO-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)CN1CC(=O)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663227899 412395527 /nfs/dbraw/zinc/39/55/27/412395527.db2.gz OYPIMVNJXVTNFT-CYBMUJFWSA-N 1 2 248.330 0.916 20 0 BCADLO CCCN1CC(=O)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663227184 412395633 /nfs/dbraw/zinc/39/56/33/412395633.db2.gz IXUHSHIGPAKCGD-GFCCVEGCSA-N 1 2 234.303 0.670 20 0 BCADLO CCc1nc(C[N@@H+]2CCOC[C@H](O)C2)cs1 ZINC000294932344 171979173 /nfs/dbraw/zinc/97/91/73/171979173.db2.gz ZOWGVJFFVNAJGL-SNVBAGLBSA-N 1 2 242.344 0.899 20 0 BCADLO CCc1nc(C[N@H+]2CCOC[C@H](O)C2)cs1 ZINC000294932344 171979175 /nfs/dbraw/zinc/97/91/75/171979175.db2.gz ZOWGVJFFVNAJGL-SNVBAGLBSA-N 1 2 242.344 0.899 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000372295247 172049776 /nfs/dbraw/zinc/04/97/76/172049776.db2.gz NPHQOFUZHCHBPD-SECBINFHSA-N 1 2 236.319 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000372295247 172049779 /nfs/dbraw/zinc/04/97/79/172049779.db2.gz NPHQOFUZHCHBPD-SECBINFHSA-N 1 2 236.319 0.334 20 0 BCADLO CCc1nnc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)o1 ZINC000332623872 172050416 /nfs/dbraw/zinc/05/04/16/172050416.db2.gz GVACKNJFEIHOMB-IUCAKERBSA-N 1 2 241.291 0.478 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000104961552 172051193 /nfs/dbraw/zinc/05/11/93/172051193.db2.gz FMOURVWKOMIDLW-SECBINFHSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]2CO)n1C ZINC000104961552 172051196 /nfs/dbraw/zinc/05/11/96/172051196.db2.gz FMOURVWKOMIDLW-SECBINFHSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1noc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000329197511 172090109 /nfs/dbraw/zinc/09/01/09/172090109.db2.gz VGRNXHLRGCEBOJ-DJLDLDEBSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1noc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000329197511 172090112 /nfs/dbraw/zinc/09/01/12/172090112.db2.gz VGRNXHLRGCEBOJ-DJLDLDEBSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCOC)n1 ZINC000369303823 172092007 /nfs/dbraw/zinc/09/20/07/172092007.db2.gz TUJSQOZDLZIIPS-DTWKUNHWSA-N 1 2 241.291 0.386 20 0 BCADLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCOC)n1 ZINC000369303823 172092008 /nfs/dbraw/zinc/09/20/08/172092008.db2.gz TUJSQOZDLZIIPS-DTWKUNHWSA-N 1 2 241.291 0.386 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000339609082 172096698 /nfs/dbraw/zinc/09/66/98/172096698.db2.gz VMLAWILUDBKZQQ-QWRGUYRKSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000339609082 172096701 /nfs/dbraw/zinc/09/67/01/172096701.db2.gz VMLAWILUDBKZQQ-QWRGUYRKSA-N 1 2 226.276 0.429 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000113943220 172160492 /nfs/dbraw/zinc/16/04/92/172160492.db2.gz JQXNNNAPQQPIGJ-UHFFFAOYSA-N 1 2 224.308 0.423 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000113943220 172160494 /nfs/dbraw/zinc/16/04/94/172160494.db2.gz JQXNNNAPQQPIGJ-UHFFFAOYSA-N 1 2 224.308 0.423 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@@H](COC)C2)cn1 ZINC000093528390 172166067 /nfs/dbraw/zinc/16/60/67/172166067.db2.gz GSSUOZIHYOERLG-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@@H](COC)C2)cn1 ZINC000093528390 172166068 /nfs/dbraw/zinc/16/60/68/172166068.db2.gz GSSUOZIHYOERLG-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cn1 ZINC000261968905 172184295 /nfs/dbraw/zinc/18/42/95/172184295.db2.gz QJLQFKCBKGOBEU-SCZZXKLOSA-N 1 2 238.291 0.218 20 0 BCADLO CCn1ccnc(NCCCn2cc[nH+]c2)c1=O ZINC000061762550 172212348 /nfs/dbraw/zinc/21/23/48/172212348.db2.gz KHRNBVGOPTUFNX-UHFFFAOYSA-N 1 2 247.302 0.962 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@H]1CCN(C)C1=O ZINC000336722277 172221317 /nfs/dbraw/zinc/22/13/17/172221317.db2.gz ZXBQPUQNLWFDMC-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338374376 172221659 /nfs/dbraw/zinc/22/16/59/172221659.db2.gz WSTFQWYRZPHLQL-PHIMTYICSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1nccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120341732 172263022 /nfs/dbraw/zinc/26/30/22/172263022.db2.gz TUCYDYAYPLPABR-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120341732 172263024 /nfs/dbraw/zinc/26/30/24/172263024.db2.gz TUCYDYAYPLPABR-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329874970 172276542 /nfs/dbraw/zinc/27/65/42/172276542.db2.gz GFFOCAYTESZNSP-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1nccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329874970 172276545 /nfs/dbraw/zinc/27/65/45/172276545.db2.gz GFFOCAYTESZNSP-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000373276276 172278278 /nfs/dbraw/zinc/27/82/78/172278278.db2.gz BJYDBSREKKRMJW-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000373276276 172278281 /nfs/dbraw/zinc/27/82/81/172278281.db2.gz BJYDBSREKKRMJW-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000095020344 172278863 /nfs/dbraw/zinc/27/88/63/172278863.db2.gz RZEKPCPACUKPOH-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000095020344 172278865 /nfs/dbraw/zinc/27/88/65/172278865.db2.gz RZEKPCPACUKPOH-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncnc1C[N@H+](CCOC)C1CC1 ZINC000362967220 172279272 /nfs/dbraw/zinc/27/92/72/172279272.db2.gz PMUVIIRTIXITKL-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](CCOC)C1CC1 ZINC000362967220 172279274 /nfs/dbraw/zinc/27/92/74/172279274.db2.gz PMUVIIRTIXITKL-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000331604913 172279513 /nfs/dbraw/zinc/27/95/13/172279513.db2.gz CCYOWGKZJACBOG-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H](O)CC1 ZINC000331604913 172279514 /nfs/dbraw/zinc/27/95/14/172279514.db2.gz CCYOWGKZJACBOG-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCOCC[C@H]1C ZINC000365343784 172279613 /nfs/dbraw/zinc/27/96/13/172279613.db2.gz MAAQQUFPNYXCQY-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCOCC[C@H]1C ZINC000365343784 172279615 /nfs/dbraw/zinc/27/96/15/172279615.db2.gz MAAQQUFPNYXCQY-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332741837 172280836 /nfs/dbraw/zinc/28/08/36/172280836.db2.gz ZRJCNPLSEXXXHY-DTWKUNHWSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332741837 172280839 /nfs/dbraw/zinc/28/08/39/172280839.db2.gz ZRJCNPLSEXXXHY-DTWKUNHWSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000193425583 172282269 /nfs/dbraw/zinc/28/22/69/172282269.db2.gz QGDMLTOCEUZIIG-SECBINFHSA-N 1 2 239.323 0.288 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@](F)(CO)C1)C1CC1 ZINC000338585338 172309336 /nfs/dbraw/zinc/30/93/36/172309336.db2.gz AAQXXDUPRQPZDD-LLVKDONJSA-N 1 2 230.283 0.014 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@](F)(CO)C1)C1CC1 ZINC000338585338 172309337 /nfs/dbraw/zinc/30/93/37/172309337.db2.gz AAQXXDUPRQPZDD-LLVKDONJSA-N 1 2 230.283 0.014 20 0 BCADLO CN(C(=O)CO)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781257 172311168 /nfs/dbraw/zinc/31/11/68/172311168.db2.gz XVEQCWUAAHRVEE-GFCCVEGCSA-N 1 2 245.282 0.950 20 0 BCADLO CN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CCOC1 ZINC000358814768 172321666 /nfs/dbraw/zinc/32/16/66/172321666.db2.gz INRQMURBDKWHLJ-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261528059 172325090 /nfs/dbraw/zinc/32/50/90/172325090.db2.gz GIBIHLDCCDQUKK-ZETCQYMHSA-N 1 2 204.220 0.604 20 0 BCADLO CN(C(=O)[C@@H]1CCC[N@@H+]1C)c1nncs1 ZINC000361285558 172327698 /nfs/dbraw/zinc/32/76/98/172327698.db2.gz DMZAVSGZIRELJD-ZETCQYMHSA-N 1 2 226.305 0.595 20 0 BCADLO CN(C(=O)[C@@H]1CCC[N@H+]1C)c1nncs1 ZINC000361285558 172327699 /nfs/dbraw/zinc/32/76/99/172327699.db2.gz DMZAVSGZIRELJD-ZETCQYMHSA-N 1 2 226.305 0.595 20 0 BCADLO CN(C)C(=O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000110114222 172364127 /nfs/dbraw/zinc/36/41/27/172364127.db2.gz MVSHCVVDNSEGIF-UHFFFAOYSA-N 1 2 234.303 0.878 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278535337 172366082 /nfs/dbraw/zinc/36/60/82/172366082.db2.gz FNPOHJZSCFXNRF-JTQLQIEISA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278535337 172366084 /nfs/dbraw/zinc/36/60/84/172366084.db2.gz FNPOHJZSCFXNRF-JTQLQIEISA-N 1 2 222.292 0.635 20 0 BCADLO CN1CCC[N@H+](CCOCC(F)F)CC1=O ZINC000375510548 173014599 /nfs/dbraw/zinc/01/45/99/173014599.db2.gz YKTNRUXORMRRID-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO CN1CCC[N@@H+](CCOCC(F)F)CC1=O ZINC000375510548 173014601 /nfs/dbraw/zinc/01/46/01/173014601.db2.gz YKTNRUXORMRRID-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO CN1CCC[N@H+](Cc2ccno2)CC1=O ZINC000364996876 173016869 /nfs/dbraw/zinc/01/68/69/173016869.db2.gz IQECSMOOKLTAPV-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CCC[N@@H+](Cc2ccno2)CC1=O ZINC000364996876 173016871 /nfs/dbraw/zinc/01/68/71/173016871.db2.gz IQECSMOOKLTAPV-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000308969249 173021158 /nfs/dbraw/zinc/02/11/58/173021158.db2.gz YBDGTJHIUOTQCM-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268934254 173050067 /nfs/dbraw/zinc/05/00/67/173050067.db2.gz FUQNQGAORNGIJH-MNOVXSKESA-N 1 2 248.330 0.998 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268934254 173050071 /nfs/dbraw/zinc/05/00/71/173050071.db2.gz FUQNQGAORNGIJH-MNOVXSKESA-N 1 2 248.330 0.998 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268934255 173051806 /nfs/dbraw/zinc/05/18/06/173051806.db2.gz FUQNQGAORNGIJH-QWRGUYRKSA-N 1 2 248.330 0.998 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268934255 173051807 /nfs/dbraw/zinc/05/18/07/173051807.db2.gz FUQNQGAORNGIJH-QWRGUYRKSA-N 1 2 248.330 0.998 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2CCC2)C1 ZINC000361796731 173073186 /nfs/dbraw/zinc/07/31/86/173073186.db2.gz MUPJIQKGNNXOBZ-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2CCC2)C1 ZINC000361796731 173073188 /nfs/dbraw/zinc/07/31/88/173073188.db2.gz MUPJIQKGNNXOBZ-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO C[NH+]1CCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000290115470 173073268 /nfs/dbraw/zinc/07/32/68/173073268.db2.gz YEGHWNOUNFKTGW-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000263958890 173073274 /nfs/dbraw/zinc/07/32/74/173073274.db2.gz RCEXULCSHAGBMX-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cnns2)C(C)(C)C1 ZINC000270902201 173074280 /nfs/dbraw/zinc/07/42/80/173074280.db2.gz JVXALQQIDJNINT-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cnns2)C(C)(C)C1 ZINC000270902201 173074283 /nfs/dbraw/zinc/07/42/83/173074283.db2.gz JVXALQQIDJNINT-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO Cn1cc(C(=O)N2CC[NH+](C)CC2)c(C2CC2)n1 ZINC000290901575 173074309 /nfs/dbraw/zinc/07/43/09/173074309.db2.gz VEKVSBMTIQCZNO-UHFFFAOYSA-N 1 2 248.330 0.685 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2cnccn2)C1 ZINC000225343266 173075534 /nfs/dbraw/zinc/07/55/34/173075534.db2.gz RYLYACGVQOBUPX-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2cnccn2)C1 ZINC000225343266 173075536 /nfs/dbraw/zinc/07/55/36/173075536.db2.gz RYLYACGVQOBUPX-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCCCO2)CC1=O ZINC000119233715 173084246 /nfs/dbraw/zinc/08/42/46/173084246.db2.gz FCNIDMCLFFBQTJ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCCCO2)CC1=O ZINC000119233715 173084249 /nfs/dbraw/zinc/08/42/49/173084249.db2.gz FCNIDMCLFFBQTJ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CN1CC[N@H+](Cc2c[nH]c3nccnc23)CC1=O ZINC000290379168 173085157 /nfs/dbraw/zinc/08/51/57/173085157.db2.gz IHHHEUGRZXIONY-UHFFFAOYSA-N 1 2 245.286 0.232 20 0 BCADLO CN1CC[N@@H+](Cc2c[nH]c3nccnc23)CC1=O ZINC000290379168 173085158 /nfs/dbraw/zinc/08/51/58/173085158.db2.gz IHHHEUGRZXIONY-UHFFFAOYSA-N 1 2 245.286 0.232 20 0 BCADLO CN1CC[N@H+](Cc2ccc(CO)cc2)CC1=O ZINC000182806001 173088208 /nfs/dbraw/zinc/08/82/08/173088208.db2.gz RZQCDZORKIRQDQ-UHFFFAOYSA-N 1 2 234.299 0.453 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(CO)cc2)CC1=O ZINC000182806001 173088212 /nfs/dbraw/zinc/08/82/12/173088212.db2.gz RZQCDZORKIRQDQ-UHFFFAOYSA-N 1 2 234.299 0.453 20 0 BCADLO C[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000044116660 173092816 /nfs/dbraw/zinc/09/28/16/173092816.db2.gz NQPHDQYUMVRCGB-KGLIPLIRSA-N 1 2 232.327 0.892 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)c2ccsc2)CC1 ZINC000285278326 173093065 /nfs/dbraw/zinc/09/30/65/173093065.db2.gz ZJWJIAYWCVPIGE-UHFFFAOYSA-N 1 2 246.357 0.684 20 0 BCADLO CN1CC[C@@H]([N@H+](C)C/C=C/Cl)C1=O ZINC000265716690 173117135 /nfs/dbraw/zinc/11/71/35/173117135.db2.gz PRRNMMZSMWCQCT-RYEJSQLPSA-N 1 2 202.685 0.901 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)C/C=C/Cl)C1=O ZINC000265716690 173117136 /nfs/dbraw/zinc/11/71/36/173117136.db2.gz PRRNMMZSMWCQCT-RYEJSQLPSA-N 1 2 202.685 0.901 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC000369935919 173100490 /nfs/dbraw/zinc/10/04/90/173100490.db2.gz OICHGKUACXFXQW-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC000369935919 173100493 /nfs/dbraw/zinc/10/04/93/173100493.db2.gz OICHGKUACXFXQW-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000335522487 173100704 /nfs/dbraw/zinc/10/07/04/173100704.db2.gz VUYRAYDVPOKMKN-SECBINFHSA-N 1 2 214.309 0.574 20 0 BCADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000335522487 173100707 /nfs/dbraw/zinc/10/07/07/173100707.db2.gz VUYRAYDVPOKMKN-SECBINFHSA-N 1 2 214.309 0.574 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCCO2)C1 ZINC000130285147 173102016 /nfs/dbraw/zinc/10/20/16/173102016.db2.gz WXHYQXAVIKQMIY-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 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249.270 0.016 20 0 BCADLO CN(Cc1c[nH+]cn1C)[C@@H]1CCN(C)C1=O ZINC000336700272 173120414 /nfs/dbraw/zinc/12/04/14/173120414.db2.gz KOJWBOSDTXRKSC-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336647429 173122805 /nfs/dbraw/zinc/12/28/05/173122805.db2.gz MNEWPJXQUPAUNF-KXUCPTDWSA-N 1 2 210.277 0.080 20 0 BCADLO CN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336647429 173122807 /nfs/dbraw/zinc/12/28/07/173122807.db2.gz MNEWPJXQUPAUNF-KXUCPTDWSA-N 1 2 210.277 0.080 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCN(C)C1=O ZINC000283651014 173146674 /nfs/dbraw/zinc/14/66/74/173146674.db2.gz DAKGNSBJNTZANF-FSIBCCDJSA-N 1 2 248.286 0.112 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000116272918 173150417 /nfs/dbraw/zinc/15/04/17/173150417.db2.gz UDFGSSGDXLZFIC-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CN1CC[C@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000116272918 173150418 /nfs/dbraw/zinc/15/04/18/173150418.db2.gz 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249.318 0.625 20 0 BCADLO CNC(=O)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277481323 173262551 /nfs/dbraw/zinc/26/25/51/173262551.db2.gz PTCYJPLGJUDPQZ-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(OC)n1 ZINC000264787379 173269220 /nfs/dbraw/zinc/26/92/20/173269220.db2.gz AQRKMXTXEIGMPE-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(OC)n1 ZINC000264787379 173269222 /nfs/dbraw/zinc/26/92/22/173269222.db2.gz AQRKMXTXEIGMPE-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000338202634 173270784 /nfs/dbraw/zinc/27/07/84/173270784.db2.gz AALJZWOKVAKWII-UHFFFAOYSA-N 1 2 249.314 0.823 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000338202634 173270787 /nfs/dbraw/zinc/27/07/87/173270787.db2.gz AALJZWOKVAKWII-UHFFFAOYSA-N 1 2 249.314 0.823 20 0 BCADLO CNC(=O)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000277494375 173272004 /nfs/dbraw/zinc/27/20/04/173272004.db2.gz QUBBVAIFBVDJQX-UHFFFAOYSA-N 1 2 249.318 0.259 20 0 BCADLO 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/nfs/dbraw/zinc/28/63/27/173286327.db2.gz XEUBMTFBSCGMIF-MRVPVSSYSA-N 1 2 239.275 0.728 20 0 BCADLO CNC(=O)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000048839424 173286616 /nfs/dbraw/zinc/28/66/16/173286616.db2.gz QJTNBZIHTODMGR-UHFFFAOYSA-N 1 2 225.248 0.167 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000048839424 173286617 /nfs/dbraw/zinc/28/66/17/173286617.db2.gz QJTNBZIHTODMGR-UHFFFAOYSA-N 1 2 225.248 0.167 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336267298 173287544 /nfs/dbraw/zinc/28/75/44/173287544.db2.gz DOPVTVBWHSZKAT-LDYMZIIASA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000336267298 173287545 /nfs/dbraw/zinc/28/75/45/173287545.db2.gz DOPVTVBWHSZKAT-LDYMZIIASA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000048487654 173290799 /nfs/dbraw/zinc/29/07/99/173290799.db2.gz PCXDHVHQLRMWOB-UHFFFAOYSA-N 1 2 218.260 0.806 20 0 BCADLO CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341182739 173291217 /nfs/dbraw/zinc/29/12/17/173291217.db2.gz CIDBCPLGIGSQIJ-UHFFFAOYSA-N 1 2 236.197 0.874 20 0 BCADLO CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000336556337 173291233 /nfs/dbraw/zinc/29/12/33/173291233.db2.gz XLTLKMSNNPADHZ-SECBINFHSA-N 1 2 222.292 0.998 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000334989408 173291788 /nfs/dbraw/zinc/29/17/88/173291788.db2.gz MNMRTWUKFYHCOD-MRVPVSSYSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000334989408 173291789 /nfs/dbraw/zinc/29/17/89/173291789.db2.gz MNMRTWUKFYHCOD-MRVPVSSYSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301573669 173295490 /nfs/dbraw/zinc/29/54/90/173295490.db2.gz RWFYGXRFOSYQRL-SSDOTTSWSA-N 1 2 220.276 0.900 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1cocn1)C(C)C ZINC000309180892 173296841 /nfs/dbraw/zinc/29/68/41/173296841.db2.gz NVQJKNFRRBTXJV-VIFPVBQESA-N 1 2 211.265 0.535 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000125088642 173298231 /nfs/dbraw/zinc/29/82/31/173298231.db2.gz RAEGATXXEFXLOW-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000125088642 173298232 /nfs/dbraw/zinc/29/82/32/173298232.db2.gz RAEGATXXEFXLOW-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000330578622 173298663 /nfs/dbraw/zinc/29/86/63/173298663.db2.gz OKZKYHFFOIHPKX-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000330578622 173298664 /nfs/dbraw/zinc/29/86/64/173298664.db2.gz OKZKYHFFOIHPKX-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000266201466 173299044 /nfs/dbraw/zinc/29/90/44/173299044.db2.gz DEHIRJWSCHCPKZ-VIFPVBQESA-N 1 2 220.276 0.500 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnccc1OC ZINC000287261747 173299130 /nfs/dbraw/zinc/29/91/30/173299130.db2.gz KWIBNTHZZINOQF-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnccc1OC ZINC000287261747 173299131 /nfs/dbraw/zinc/29/91/31/173299131.db2.gz KWIBNTHZZINOQF-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000040445457 173302769 /nfs/dbraw/zinc/30/27/69/173302769.db2.gz ZXMBEVHTLFNEJL-LURJTMIESA-N 1 2 213.306 0.676 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1ccn(C(F)F)n1 ZINC000309643900 173302792 /nfs/dbraw/zinc/30/27/92/173302792.db2.gz LMXJEHQJUVWZML-LURJTMIESA-N 1 2 232.234 0.502 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cncn1C ZINC000177006202 173306141 /nfs/dbraw/zinc/30/61/41/173306141.db2.gz PHNZTRMVRQOJAZ-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cncn1C ZINC000177006202 173306142 /nfs/dbraw/zinc/30/61/42/173306142.db2.gz PHNZTRMVRQOJAZ-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000330578621 173307465 /nfs/dbraw/zinc/30/74/65/173307465.db2.gz OKZKYHFFOIHPKX-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000330578621 173307466 /nfs/dbraw/zinc/30/74/66/173307466.db2.gz OKZKYHFFOIHPKX-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000330466218 173307539 /nfs/dbraw/zinc/30/75/39/173307539.db2.gz HFKCVSSNBODSTJ-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(OC)c1 ZINC000330466218 173307540 /nfs/dbraw/zinc/30/75/40/173307540.db2.gz HFKCVSSNBODSTJ-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000190013225 173307999 /nfs/dbraw/zinc/30/79/99/173307999.db2.gz ZXBSUTGRKVUPBE-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000190013225 173308000 /nfs/dbraw/zinc/30/80/00/173308000.db2.gz ZXBSUTGRKVUPBE-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000264733266 173620675 /nfs/dbraw/zinc/62/06/75/173620675.db2.gz FIXFMHNFLZMIGH-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1ccnn1C)C1CC1 ZINC000231030173 173804073 /nfs/dbraw/zinc/80/40/73/173804073.db2.gz UNTQIBIKTHZNGV-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CC2(C)C)C[NH2+]1 ZINC000366151763 173826205 /nfs/dbraw/zinc/82/62/05/173826205.db2.gz NHORKEPRHLOBOL-XHNCKOQMSA-N 1 2 240.303 0.052 20 0 BCADLO COC(=O)[C@]1([NH2+]CCC2CC2)CCOC1 ZINC000308908115 173839484 /nfs/dbraw/zinc/83/94/84/173839484.db2.gz CZPKXAMYNUTVFH-NSHDSACASA-N 1 2 213.277 0.708 20 0 BCADLO COCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000082276425 174040311 /nfs/dbraw/zinc/04/03/11/174040311.db2.gz CEXKTZMFUBSOBU-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO COCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000061508670 174042345 /nfs/dbraw/zinc/04/23/45/174042345.db2.gz OKPSOGPNLJGUOO-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO COCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265747786 174051509 /nfs/dbraw/zinc/05/15/09/174051509.db2.gz IIWOMUGVGUWGDV-SECBINFHSA-N 1 2 211.265 0.282 20 0 BCADLO COCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976174 174060828 /nfs/dbraw/zinc/06/08/28/174060828.db2.gz IMBBPFSRXZCEEJ-UHFFFAOYSA-N 1 2 209.249 0.733 20 0 BCADLO COCC1=CC[N@@H+](Cc2ncnn2C)CC1 ZINC000336663500 174115851 /nfs/dbraw/zinc/11/58/51/174115851.db2.gz SMHPIFAAYZRAAH-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO COCC1=CC[N@H+](Cc2ncnn2C)CC1 ZINC000336663500 174115849 /nfs/dbraw/zinc/11/58/49/174115849.db2.gz SMHPIFAAYZRAAH-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO COCC1=CC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC000276185613 174118127 /nfs/dbraw/zinc/11/81/27/174118127.db2.gz HJQGJYVMZPQESZ-SECBINFHSA-N 1 2 237.307 0.550 20 0 BCADLO COCC1=CC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC000276185613 174118129 /nfs/dbraw/zinc/11/81/29/174118129.db2.gz HJQGJYVMZPQESZ-SECBINFHSA-N 1 2 237.307 0.550 20 0 BCADLO COCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265847870 174129931 /nfs/dbraw/zinc/12/99/31/174129931.db2.gz UHFNDNIUYJXXPH-JTQLQIEISA-N 1 2 225.292 0.672 20 0 BCADLO COCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263876127 174134219 /nfs/dbraw/zinc/13/42/19/174134219.db2.gz OAEQOEGNQQSKKA-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO COCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276670548 174210693 /nfs/dbraw/zinc/21/06/93/174210693.db2.gz ZGTYWWJUOHJCOC-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000045839167 174238447 /nfs/dbraw/zinc/23/84/47/174238447.db2.gz TXALYHKYBVKNGT-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000045839167 174238451 /nfs/dbraw/zinc/23/84/51/174238451.db2.gz TXALYHKYBVKNGT-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCONC(=O)CCc1[nH]cc[nH+]1 ZINC000287648468 174255251 /nfs/dbraw/zinc/25/52/51/174255251.db2.gz CGTLYIWZKSNERI-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000056507937 174274661 /nfs/dbraw/zinc/27/46/61/174274661.db2.gz QGPSMINESMDYMD-UHFFFAOYSA-N 1 2 240.307 0.543 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000056507937 174274662 /nfs/dbraw/zinc/27/46/62/174274662.db2.gz QGPSMINESMDYMD-UHFFFAOYSA-N 1 2 240.307 0.543 20 0 BCADLO COCC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000331780295 174282974 /nfs/dbraw/zinc/28/29/74/174282974.db2.gz PMCDNRSVKFOZGQ-QMMMGPOBSA-N 1 2 225.296 0.647 20 0 BCADLO COCC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000331780295 174282977 /nfs/dbraw/zinc/28/29/77/174282977.db2.gz PMCDNRSVKFOZGQ-QMMMGPOBSA-N 1 2 225.296 0.647 20 0 BCADLO COCC[N@H+](CCOC(C)C)CC(=O)OC ZINC000114476685 174294969 /nfs/dbraw/zinc/29/49/69/174294969.db2.gz MTLYHTGRDAPMOP-UHFFFAOYSA-N 1 2 233.308 0.533 20 0 BCADLO COCC[N@@H+](CCOC(C)C)CC(=O)OC ZINC000114476685 174294970 /nfs/dbraw/zinc/29/49/70/174294970.db2.gz MTLYHTGRDAPMOP-UHFFFAOYSA-N 1 2 233.308 0.533 20 0 BCADLO COCC[NH+](CCOC)Cc1c[nH]cn1 ZINC000179515712 174296140 /nfs/dbraw/zinc/29/61/40/174296140.db2.gz OOURBQTVXWHGRU-UHFFFAOYSA-N 1 2 213.281 0.505 20 0 BCADLO COCC[NH+](CCOC)Cc1cnc[nH]1 ZINC000179515712 174296142 /nfs/dbraw/zinc/29/61/42/174296142.db2.gz OOURBQTVXWHGRU-UHFFFAOYSA-N 1 2 213.281 0.505 20 0 BCADLO COCC[N@H+](Cc1c[nH]nc1C)[C@H](C)C(N)=O ZINC000093139702 174296902 /nfs/dbraw/zinc/29/69/02/174296902.db2.gz GQNQAKPWWUDZEV-SECBINFHSA-N 1 2 240.307 0.040 20 0 BCADLO COCC[N@@H+](Cc1c[nH]nc1C)[C@H](C)C(N)=O ZINC000093139702 174296903 /nfs/dbraw/zinc/29/69/03/174296903.db2.gz GQNQAKPWWUDZEV-SECBINFHSA-N 1 2 240.307 0.040 20 0 BCADLO COCC[N@H+](Cc1occc1C)[C@H](C)C(N)=O ZINC000093139064 174302823 /nfs/dbraw/zinc/30/28/23/174302823.db2.gz YZKMVLUTRPQLLW-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1occc1C)[C@H](C)C(N)=O ZINC000093139064 174302825 /nfs/dbraw/zinc/30/28/25/174302825.db2.gz YZKMVLUTRPQLLW-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338281861 174311803 /nfs/dbraw/zinc/31/18/03/174311803.db2.gz LGGPNRWNVBACRU-SNVBAGLBSA-N 1 2 213.277 0.313 20 0 BCADLO COCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338281861 174311805 /nfs/dbraw/zinc/31/18/05/174311805.db2.gz LGGPNRWNVBACRU-SNVBAGLBSA-N 1 2 213.277 0.313 20 0 BCADLO COCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000370343638 174313567 /nfs/dbraw/zinc/31/35/67/174313567.db2.gz PVFBPNWOESCRMR-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000370343638 174313569 /nfs/dbraw/zinc/31/35/69/174313569.db2.gz PVFBPNWOESCRMR-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000301803411 174343137 /nfs/dbraw/zinc/34/31/37/174343137.db2.gz XHKMFXFQKDKCOU-UHFFFAOYSA-N 1 2 234.263 0.303 20 0 BCADLO COCCOCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000044725390 174352935 /nfs/dbraw/zinc/35/29/35/174352935.db2.gz YFGFEVXFSGRTDD-JTQLQIEISA-N 1 2 215.293 0.560 20 0 BCADLO COCCOCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000044725390 174352936 /nfs/dbraw/zinc/35/29/36/174352936.db2.gz YFGFEVXFSGRTDD-JTQLQIEISA-N 1 2 215.293 0.560 20 0 BCADLO COCCOCC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000147493970 174353548 /nfs/dbraw/zinc/35/35/48/174353548.db2.gz UUMXBECXIZGXBA-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COCCOCC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000147493970 174353551 /nfs/dbraw/zinc/35/35/51/174353551.db2.gz UUMXBECXIZGXBA-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COCCOCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356397597 174353945 /nfs/dbraw/zinc/35/39/45/174353945.db2.gz YAKSKANIULCOEQ-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCCOCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356397597 174353946 /nfs/dbraw/zinc/35/39/46/174353946.db2.gz YAKSKANIULCOEQ-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCCOCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352450731 174354535 /nfs/dbraw/zinc/35/45/35/174354535.db2.gz SHMNTHHGUKXXPS-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO COCCOCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352450731 174354537 /nfs/dbraw/zinc/35/45/37/174354537.db2.gz SHMNTHHGUKXXPS-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO COCCOCC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000370203990 174355665 /nfs/dbraw/zinc/35/56/65/174355665.db2.gz MAQWUSIGFIWKAW-BDJLRTHQSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000370203990 174355666 /nfs/dbraw/zinc/35/56/66/174355666.db2.gz MAQWUSIGFIWKAW-BDJLRTHQSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[NH2+][C@@H](C)c1nc(C)no1 ZINC000309969619 174358088 /nfs/dbraw/zinc/35/80/88/174358088.db2.gz OUCPFRFDYWZQJZ-QMMMGPOBSA-N 1 2 229.280 0.692 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000189736484 174365633 /nfs/dbraw/zinc/36/56/33/174365633.db2.gz FVZOFQZYBPHMDG-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000189736484 174365634 /nfs/dbraw/zinc/36/56/34/174365634.db2.gz FVZOFQZYBPHMDG-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000332681926 174367038 /nfs/dbraw/zinc/36/70/38/174367038.db2.gz TVLUWKFZNLNDMW-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000332681926 174367040 /nfs/dbraw/zinc/36/70/40/174367040.db2.gz TVLUWKFZNLNDMW-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO COCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000084015224 174371743 /nfs/dbraw/zinc/37/17/43/174371743.db2.gz NSJFTHAGSWMJPY-UHFFFAOYSA-N 1 2 242.300 0.420 20 0 BCADLO COCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279451629 174379548 /nfs/dbraw/zinc/37/95/48/174379548.db2.gz OEAJMTSZRUQNIL-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO COCC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357737647 174380525 /nfs/dbraw/zinc/38/05/25/174380525.db2.gz FCBLTGKEYGIZQT-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1Cc1n[nH]cc1C ZINC000291214704 174397920 /nfs/dbraw/zinc/39/79/20/174397920.db2.gz IXQCTIGVYDZEJJ-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1Cc1n[nH]cc1C ZINC000291214704 174397921 /nfs/dbraw/zinc/39/79/21/174397921.db2.gz IXQCTIGVYDZEJJ-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338101602 174404529 /nfs/dbraw/zinc/40/45/29/174404529.db2.gz VXTAKIXJUAXBPM-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]([NH2+]CC[C@H]1CCOC1)C(=O)OC ZINC000336762078 174482609 /nfs/dbraw/zinc/48/26/09/174482609.db2.gz KZMLUSSQSCVOKY-VHSXEESVSA-N 1 2 231.292 0.191 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000333319799 174794503 /nfs/dbraw/zinc/79/45/03/174794503.db2.gz PLWCUEMDHPAAFR-NSHDSACASA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000333319799 174794504 /nfs/dbraw/zinc/79/45/04/174794504.db2.gz PLWCUEMDHPAAFR-NSHDSACASA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000267628421 174893084 /nfs/dbraw/zinc/89/30/84/174893084.db2.gz JFJRQOAOWLSLNW-QMMMGPOBSA-N 1 2 233.275 0.588 20 0 BCADLO COc1cc(OC)nc(NCCn2cc[nH+]c2)n1 ZINC000134999957 175012597 /nfs/dbraw/zinc/01/25/97/175012597.db2.gz FFSGTMIHCRGMNT-UHFFFAOYSA-N 1 2 249.274 0.802 20 0 BCADLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000272008158 175098937 /nfs/dbraw/zinc/09/89/37/175098937.db2.gz SSRKVQNLBPWHTN-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000272008158 175098938 /nfs/dbraw/zinc/09/89/38/175098938.db2.gz SSRKVQNLBPWHTN-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cccc(C[N@H+](C)CC(=O)NC2CC2)n1 ZINC000171859317 175253373 /nfs/dbraw/zinc/25/33/73/175253373.db2.gz YWKFBXITLXWXOA-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@@H+](C)CC(=O)NC2CC2)n1 ZINC000171859317 175253376 /nfs/dbraw/zinc/25/33/76/175253376.db2.gz YWKFBXITLXWXOA-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000133104287 175258782 /nfs/dbraw/zinc/25/87/82/175258782.db2.gz APLIXBQAKPTJCA-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000133104287 175258783 /nfs/dbraw/zinc/25/87/83/175258783.db2.gz APLIXBQAKPTJCA-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COc1cccc([C@@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)c1 ZINC000271606411 175287953 /nfs/dbraw/zinc/28/79/53/175287953.db2.gz AOOVMAOFYWSWLT-MRVPVSSYSA-N 1 2 248.286 0.957 20 0 BCADLO COc1cc[nH+]c(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000113499407 175357771 /nfs/dbraw/zinc/35/77/71/175357771.db2.gz ZWYDSQYTDAETBD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccnc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000113499407 175357774 /nfs/dbraw/zinc/35/77/74/175357774.db2.gz ZWYDSQYTDAETBD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccnc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000113499407 175357776 /nfs/dbraw/zinc/35/77/76/175357776.db2.gz ZWYDSQYTDAETBD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N(C)C2)c1 ZINC000360502439 175358848 /nfs/dbraw/zinc/35/88/48/175358848.db2.gz DSKDXFLZTGRSNN-UHFFFAOYSA-N 1 2 221.260 0.322 20 0 BCADLO COc1cc[nH+]c(CN2CCn3cnnc3C2)c1 ZINC000266911061 175360299 /nfs/dbraw/zinc/36/02/99/175360299.db2.gz LKCCEPPAFITBEX-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)O ZINC000293638146 175371344 /nfs/dbraw/zinc/37/13/44/175371344.db2.gz ADTMZMVHIHZQFM-ZETCQYMHSA-N 1 2 210.233 0.087 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1cnn(C)n1 ZINC000287023468 175373694 /nfs/dbraw/zinc/37/36/94/175373694.db2.gz RHXQVUGVZPYUEO-UHFFFAOYSA-N 1 2 248.242 0.576 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC(=O)N1 ZINC000132881091 175374891 /nfs/dbraw/zinc/37/48/91/175374891.db2.gz GAEKPSLEIFOBBM-SSDOTTSWSA-N 1 2 235.243 0.307 20 0 BCADLO COc1cc[nH+]cc1Cn1nnnc1C ZINC000288420181 175375165 /nfs/dbraw/zinc/37/51/65/175375165.db2.gz CPECZPHZEZHTHP-UHFFFAOYSA-N 1 2 205.221 0.433 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000131453307 175375269 /nfs/dbraw/zinc/37/52/69/175375269.db2.gz YBZHXJFIUFKOBY-QMMMGPOBSA-N 1 2 249.270 0.507 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000282924976 175375554 /nfs/dbraw/zinc/37/55/54/175375554.db2.gz FNRYDZAAUGQRIB-ZETCQYMHSA-N 1 2 237.215 0.137 20 0 BCADLO COc1cnc(C(=O)NCCc2[nH]cc[nH+]2)nc1 ZINC000340147084 175381189 /nfs/dbraw/zinc/38/11/89/175381189.db2.gz OWRHZSZVMUQDOT-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO COc1cncc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000359586619 175382893 /nfs/dbraw/zinc/38/28/93/175382893.db2.gz KJAXUCJWJUAWEP-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1cncc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000276737885 175383317 /nfs/dbraw/zinc/38/33/17/175383317.db2.gz GECSHEFYDZCEPA-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO COc1cncc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000289846069 175384270 /nfs/dbraw/zinc/38/42/70/175384270.db2.gz AZSCOQISFLFMOT-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1cncc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000289846069 175384271 /nfs/dbraw/zinc/38/42/71/175384271.db2.gz AZSCOQISFLFMOT-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1cncc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000332223070 175385074 /nfs/dbraw/zinc/38/50/74/175385074.db2.gz KZHNCCVZUULLEZ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cncc(C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000332223070 175385075 /nfs/dbraw/zinc/38/50/75/175385075.db2.gz KZHNCCVZUULLEZ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000276137117 175939820 /nfs/dbraw/zinc/93/98/20/175939820.db2.gz CAEIIPQYBPNGQV-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO C[C@@H](O)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330479483 175956268 /nfs/dbraw/zinc/95/62/68/175956268.db2.gz PLXHFDGMVTVHMR-MRVPVSSYSA-N 1 2 225.292 0.574 20 0 BCADLO C[C@@H](c1cccnc1)[NH+]1CCN(CCO)CC1 ZINC000069816214 176030542 /nfs/dbraw/zinc/03/05/42/176030542.db2.gz JMVAZGAOVFMKIU-LBPRGKRZSA-N 1 2 235.331 0.753 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668300 176035556 /nfs/dbraw/zinc/03/55/56/176035556.db2.gz QYRLFVXNSUBZAS-GXSJLCMTSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668300 176035557 /nfs/dbraw/zinc/03/55/57/176035557.db2.gz QYRLFVXNSUBZAS-GXSJLCMTSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@@H](c1nnnn1C)N(C)Cc1[nH+]ccn1C ZINC000330972904 176040151 /nfs/dbraw/zinc/04/01/51/176040151.db2.gz SIUBUPXKELVEOL-QMMMGPOBSA-N 1 2 235.295 0.137 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364591298 176040810 /nfs/dbraw/zinc/04/08/10/176040810.db2.gz RNBUAOKDWUSOCC-WPRPVWTQSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364591298 176040814 /nfs/dbraw/zinc/04/08/14/176040814.db2.gz RNBUAOKDWUSOCC-WPRPVWTQSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCO1 ZINC000249496470 176040904 /nfs/dbraw/zinc/04/09/04/176040904.db2.gz WELBQWFHPVDOJQ-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCO1 ZINC000249496470 176040905 /nfs/dbraw/zinc/04/09/05/176040905.db2.gz WELBQWFHPVDOJQ-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H]1C(=O)N(CCn2cc[nH+]c2)C(=O)N1C1CC1 ZINC000277185632 176044180 /nfs/dbraw/zinc/04/41/80/176044180.db2.gz CLALZJUGQBPMIY-SECBINFHSA-N 1 2 248.286 0.698 20 0 BCADLO C[C@@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)N1C ZINC000332714659 176044189 /nfs/dbraw/zinc/04/41/89/176044189.db2.gz PQYLPVROQVYLPZ-SSDOTTSWSA-N 1 2 222.248 0.203 20 0 BCADLO C[C@@H]1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1C ZINC000329622908 176044359 /nfs/dbraw/zinc/04/43/59/176044359.db2.gz RYIJRQFFFCLMJY-SFYZADRCSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@@H]1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1C ZINC000329622908 176044361 /nfs/dbraw/zinc/04/43/61/176044361.db2.gz RYIJRQFFFCLMJY-SFYZADRCSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000366181189 176046049 /nfs/dbraw/zinc/04/60/49/176046049.db2.gz XBSYBMULSIJHHL-PWSUYJOCSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000366181189 176046052 /nfs/dbraw/zinc/04/60/52/176046052.db2.gz XBSYBMULSIJHHL-PWSUYJOCSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245879970 176046437 /nfs/dbraw/zinc/04/64/37/176046437.db2.gz ANPILXWWAKXSSK-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245879970 176046439 /nfs/dbraw/zinc/04/64/39/176046439.db2.gz ANPILXWWAKXSSK-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1CC(=O)NCCN1Cc1[nH+]ccn1C ZINC000375832482 176050199 /nfs/dbraw/zinc/05/01/99/176050199.db2.gz XNRSTQNRGIYINX-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1nccn1C ZINC000375832482 176050200 /nfs/dbraw/zinc/05/02/00/176050200.db2.gz XNRSTQNRGIYINX-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1nccn1C ZINC000375832482 176050201 /nfs/dbraw/zinc/05/02/01/176050201.db2.gz XNRSTQNRGIYINX-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(NC(=O)CCc2[nH]cc[nH+]2)=NO1 ZINC000287727541 176053380 /nfs/dbraw/zinc/05/33/80/176053380.db2.gz OEXQEPLYEBFJPP-SSDOTTSWSA-N 1 2 222.248 0.581 20 0 BCADLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000076303400 176108542 /nfs/dbraw/zinc/10/85/42/176108542.db2.gz LVDLAAJRIWTOKQ-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000076303400 176108543 /nfs/dbraw/zinc/10/85/43/176108543.db2.gz LVDLAAJRIWTOKQ-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1CO ZINC000283212715 176153755 /nfs/dbraw/zinc/15/37/55/176153755.db2.gz RTOBUPMNZJXTNF-ONKIFHLLSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H]1CO ZINC000248987325 176182335 /nfs/dbraw/zinc/18/23/35/176182335.db2.gz WNGKLLKZHXRLBP-SCZZXKLOSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1CCS(C)(=O)=O ZINC000367657807 176188812 /nfs/dbraw/zinc/18/88/12/176188812.db2.gz GCLAZFDRLMTERC-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1CCS(C)(=O)=O ZINC000367657807 176188813 /nfs/dbraw/zinc/18/88/13/176188813.db2.gz GCLAZFDRLMTERC-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000283162351 176241252 /nfs/dbraw/zinc/24/12/52/176241252.db2.gz OZKPJLPHPUNIAT-GKQMSVHHSA-N 1 2 233.271 0.860 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000282698672 176241359 /nfs/dbraw/zinc/24/13/59/176241359.db2.gz FRRZZUPPIWVQDO-CDAZIORVSA-N 1 2 248.286 0.112 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCC1=O ZINC000329385721 176246734 /nfs/dbraw/zinc/24/67/34/176246734.db2.gz QBBARQGBIYZXLX-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCC1=O ZINC000329385721 176246735 /nfs/dbraw/zinc/24/67/35/176246735.db2.gz QBBARQGBIYZXLX-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000371482864 176258486 /nfs/dbraw/zinc/25/84/86/176258486.db2.gz LCCXXIKDHUNUMG-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cncs1 ZINC000336373185 176267427 /nfs/dbraw/zinc/26/74/27/176267427.db2.gz UNRCKBKRUHUOPK-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000336373185 176267428 /nfs/dbraw/zinc/26/74/28/176267428.db2.gz UNRCKBKRUHUOPK-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000369406750 176283276 /nfs/dbraw/zinc/28/32/76/176283276.db2.gz CQXUGQMTEJAYGX-BXKDBHETSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000369406750 176283277 /nfs/dbraw/zinc/28/32/77/176283277.db2.gz CQXUGQMTEJAYGX-BXKDBHETSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CC(=O)N1 ZINC000333696446 176292394 /nfs/dbraw/zinc/29/23/94/176292394.db2.gz NFIMGSKBEVYVCO-ZYHUDNBSSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CC(=O)N1 ZINC000333696446 176292396 /nfs/dbraw/zinc/29/23/96/176292396.db2.gz NFIMGSKBEVYVCO-ZYHUDNBSSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccccn2)CC(=O)N1 ZINC000296133363 176294299 /nfs/dbraw/zinc/29/42/99/176294299.db2.gz IMCFPGFLXCTMKK-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccccn2)CC(=O)N1 ZINC000296133363 176294300 /nfs/dbraw/zinc/29/43/00/176294300.db2.gz IMCFPGFLXCTMKK-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[S@]1=O ZINC000339004039 176300415 /nfs/dbraw/zinc/30/04/15/176300415.db2.gz PRMYRQNSEILFER-GPCCPHFNSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn(C)c2)CCC1=O ZINC000230762003 176295471 /nfs/dbraw/zinc/29/54/71/176295471.db2.gz YMHNZMLRCXYVJC-SNVBAGLBSA-N 1 2 221.304 0.874 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CCC1=O ZINC000230762003 176295473 /nfs/dbraw/zinc/29/54/73/176295473.db2.gz YMHNZMLRCXYVJC-SNVBAGLBSA-N 1 2 221.304 0.874 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CC(=O)N1 ZINC000294972855 176299838 /nfs/dbraw/zinc/29/98/38/176299838.db2.gz JEKQNDCPAFYDCI-NXEZZACHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CC(=O)N1 ZINC000294972855 176299840 /nfs/dbraw/zinc/29/98/40/176299840.db2.gz JEKQNDCPAFYDCI-NXEZZACHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[S@]1=O ZINC000339004039 176300414 /nfs/dbraw/zinc/30/04/14/176300414.db2.gz PRMYRQNSEILFER-GPCCPHFNSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000052709890 176307462 /nfs/dbraw/zinc/30/74/62/176307462.db2.gz HMOSHCLHTXDZSY-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000052709890 176307463 /nfs/dbraw/zinc/30/74/63/176307463.db2.gz HMOSHCLHTXDZSY-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC(=O)N1C ZINC000282365123 176312236 /nfs/dbraw/zinc/31/22/36/176312236.db2.gz WIJARIHCKBSMRI-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1CO ZINC000362070739 176312397 /nfs/dbraw/zinc/31/23/97/176312397.db2.gz HDIQHZAWIHMMQX-PSASIEDQSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1CO ZINC000362070739 176312400 /nfs/dbraw/zinc/31/24/00/176312400.db2.gz HDIQHZAWIHMMQX-PSASIEDQSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000373403113 176316139 /nfs/dbraw/zinc/31/61/39/176316139.db2.gz NAFKVRBBDDBGOM-IEBDPFPHSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000373403113 176316141 /nfs/dbraw/zinc/31/61/41/176316141.db2.gz NAFKVRBBDDBGOM-IEBDPFPHSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246538409 176318249 /nfs/dbraw/zinc/31/82/49/176318249.db2.gz PZRYRDXTDYCRKN-CKYFFXLPSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246538409 176318251 /nfs/dbraw/zinc/31/82/51/176318251.db2.gz PZRYRDXTDYCRKN-CKYFFXLPSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225427574 176335467 /nfs/dbraw/zinc/33/54/67/176335467.db2.gz FWDIBVOXGNKLJU-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225427574 176335468 /nfs/dbraw/zinc/33/54/68/176335468.db2.gz FWDIBVOXGNKLJU-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CC1 ZINC000355075906 176335538 /nfs/dbraw/zinc/33/55/38/176335538.db2.gz BWNQHRZKLHSXFJ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1CC1 ZINC000355075906 176335540 /nfs/dbraw/zinc/33/55/40/176335540.db2.gz BWNQHRZKLHSXFJ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1ncccn1 ZINC000336776411 176336070 /nfs/dbraw/zinc/33/60/70/176336070.db2.gz FUOSSYSDVSSUGV-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1ncccn1 ZINC000336776411 176336071 /nfs/dbraw/zinc/33/60/71/176336071.db2.gz FUOSSYSDVSSUGV-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(N)=O ZINC000272910495 176348606 /nfs/dbraw/zinc/34/86/06/176348606.db2.gz HLYJRJXDJBHARQ-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO C[C@@H]1COc2ccccc2C[N@H+]1CC(N)=O ZINC000272910495 176348607 /nfs/dbraw/zinc/34/86/07/176348607.db2.gz HLYJRJXDJBHARQ-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000355034933 176389213 /nfs/dbraw/zinc/38/92/13/176389213.db2.gz LPNAZKKIDTXXAU-WYUUTHIRSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000355034933 176389216 /nfs/dbraw/zinc/38/92/16/176389216.db2.gz LPNAZKKIDTXXAU-WYUUTHIRSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H](CNC(=O)c1ccccn1)[NH+]1CCOCC1 ZINC000040509928 176677733 /nfs/dbraw/zinc/67/77/33/176677733.db2.gz OKCJLMVETJXZMV-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H](CO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339172338 176696244 /nfs/dbraw/zinc/69/62/44/176696244.db2.gz PUJMPMOZFHUETF-SECBINFHSA-N 1 2 225.292 0.192 20 0 BCADLO C[C@H]([NH2+]Cc1cscn1)C(=O)NCCF ZINC000282188048 176882596 /nfs/dbraw/zinc/88/25/96/176882596.db2.gz BGFRIKJIOSGNDV-ZETCQYMHSA-N 1 2 231.296 0.707 20 0 BCADLO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccon1 ZINC000308997589 176923597 /nfs/dbraw/zinc/92/35/97/176923597.db2.gz NBNSJNSZKRICRW-CBAPKCEASA-N 1 2 209.249 0.556 20 0 BCADLO C[C@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000135012780 176945822 /nfs/dbraw/zinc/94/58/22/176945822.db2.gz QILFBWSNSIUQBJ-ZETCQYMHSA-N 1 2 209.249 0.467 20 0 BCADLO C[C@H](c1ccccn1)[NH+]1CCN(CCO)CC1 ZINC000360632605 177043517 /nfs/dbraw/zinc/04/35/17/177043517.db2.gz JZNAMYCJUOSBSL-GFCCVEGCSA-N 1 2 235.331 0.753 20 0 BCADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NC(N)=O ZINC000180791727 177044811 /nfs/dbraw/zinc/04/48/11/177044811.db2.gz BXHLGPZFIFYJAH-MRVPVSSYSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NC(N)=O ZINC000180791727 177044812 /nfs/dbraw/zinc/04/48/12/177044812.db2.gz BXHLGPZFIFYJAH-MRVPVSSYSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCO ZINC000305668898 177053369 /nfs/dbraw/zinc/05/33/69/177053369.db2.gz JCCZLKOXIONEIL-SSDOTTSWSA-N 1 2 211.265 0.932 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCO ZINC000305668898 177053371 /nfs/dbraw/zinc/05/33/71/177053371.db2.gz JCCZLKOXIONEIL-SSDOTTSWSA-N 1 2 211.265 0.932 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCOCC2(CC2)C1 ZINC000367851139 177054708 /nfs/dbraw/zinc/05/47/08/177054708.db2.gz XIXPVDJRUWFJHG-SNVBAGLBSA-N 1 2 236.319 0.989 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCOCC2(CC2)C1 ZINC000367851139 177054710 /nfs/dbraw/zinc/05/47/10/177054710.db2.gz XIXPVDJRUWFJHG-SNVBAGLBSA-N 1 2 236.319 0.989 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCCO ZINC000331764898 177055097 /nfs/dbraw/zinc/05/50/97/177055097.db2.gz LFOCSFZXQHBLKV-MRVPVSSYSA-N 1 2 225.296 0.383 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCCO ZINC000331764898 177055098 /nfs/dbraw/zinc/05/50/98/177055098.db2.gz LFOCSFZXQHBLKV-MRVPVSSYSA-N 1 2 225.296 0.383 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291833793 177055840 /nfs/dbraw/zinc/05/58/40/177055840.db2.gz OHKCZLJXRXDIQW-NXEZZACHSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291833793 177055841 /nfs/dbraw/zinc/05/58/41/177055841.db2.gz OHKCZLJXRXDIQW-NXEZZACHSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1C/C=C/Cl ZINC000189280194 177058344 /nfs/dbraw/zinc/05/83/44/177058344.db2.gz GSAZJNWUYNIXIT-KHVHVRLGSA-N 1 2 202.685 0.949 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1C/C=C/Cl ZINC000189280194 177058345 /nfs/dbraw/zinc/05/83/45/177058345.db2.gz GSAZJNWUYNIXIT-KHVHVRLGSA-N 1 2 202.685 0.949 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccn(C)n1 ZINC000336537762 177058483 /nfs/dbraw/zinc/05/84/83/177058483.db2.gz JGWHJRZGGUIYRV-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccn(C)n1 ZINC000336537762 177058485 /nfs/dbraw/zinc/05/84/85/177058485.db2.gz JGWHJRZGGUIYRV-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000248747032 177059048 /nfs/dbraw/zinc/05/90/48/177059048.db2.gz GCJFMBCRTLUOEM-QWRGUYRKSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248747032 177059049 /nfs/dbraw/zinc/05/90/49/177059049.db2.gz GCJFMBCRTLUOEM-QWRGUYRKSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000106934034 177059300 /nfs/dbraw/zinc/05/93/00/177059300.db2.gz VCNYXBVNQKOKLF-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000106934034 177059302 /nfs/dbraw/zinc/05/93/02/177059302.db2.gz VCNYXBVNQKOKLF-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000123508335 177060117 /nfs/dbraw/zinc/06/01/17/177060117.db2.gz KEUAUEOHNHHSGI-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000123508335 177060118 /nfs/dbraw/zinc/06/01/18/177060118.db2.gz KEUAUEOHNHHSGI-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1CC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000104919497 177062346 /nfs/dbraw/zinc/06/23/46/177062346.db2.gz ALIORQWHAKMCKU-ZETCQYMHSA-N 1 2 219.244 0.559 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cncn1C ZINC000371199093 177063178 /nfs/dbraw/zinc/06/31/78/177063178.db2.gz QZQCRLHTHSOGAM-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cncn1C ZINC000371199093 177063179 /nfs/dbraw/zinc/06/31/79/177063179.db2.gz QZQCRLHTHSOGAM-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCCN1Cc1c[nH+]cn1C ZINC000371199093 177063180 /nfs/dbraw/zinc/06/31/80/177063180.db2.gz QZQCRLHTHSOGAM-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1CO ZINC000331075641 177146769 /nfs/dbraw/zinc/14/67/69/177146769.db2.gz UZPKCVOVEGBWRT-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1CO ZINC000331075641 177146771 /nfs/dbraw/zinc/14/67/71/177146771.db2.gz UZPKCVOVEGBWRT-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](C(=O)N1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000336441968 177151447 /nfs/dbraw/zinc/15/14/47/177151447.db2.gz PAUFDCRBFUSFAR-WDEREUQCSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2CCF)[C@H]1CO ZINC000332686530 177168342 /nfs/dbraw/zinc/16/83/42/177168342.db2.gz UPEWSWUNCABXLI-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2CCF)[C@H]1CO ZINC000332686530 177168344 /nfs/dbraw/zinc/16/83/44/177168344.db2.gz UPEWSWUNCABXLI-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000305762012 177168682 /nfs/dbraw/zinc/16/86/82/177168682.db2.gz MJOBXVZYUSZRLE-DTWKUNHWSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000305762012 177168683 /nfs/dbraw/zinc/16/86/83/177168683.db2.gz MJOBXVZYUSZRLE-DTWKUNHWSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@H]1CCN(S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000151241127 177170459 /nfs/dbraw/zinc/17/04/59/177170459.db2.gz MIDPSTOTYPCLRY-UWVGGRQHSA-N 1 2 243.332 0.726 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cscn1 ZINC000193565074 177174849 /nfs/dbraw/zinc/17/48/49/177174849.db2.gz CBJAWSRJPFCIEJ-CBAPKCEASA-N 1 2 225.317 0.757 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1CCS(C)(=O)=O ZINC000367657808 177176943 /nfs/dbraw/zinc/17/69/43/177176943.db2.gz GCLAZFDRLMTERC-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1CCOCC[N@H+]1CCS(C)(=O)=O ZINC000367657808 177176945 /nfs/dbraw/zinc/17/69/45/177176945.db2.gz GCLAZFDRLMTERC-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1CCO[C@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370708838 177179075 /nfs/dbraw/zinc/17/90/75/177179075.db2.gz PQJFUJNAJCLHCP-JOYOIKCWSA-N 1 2 249.314 0.730 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000336591815 177181389 /nfs/dbraw/zinc/18/13/89/177181389.db2.gz UGYODXQURFJHIR-ONGXEEELSA-N 1 2 235.287 0.793 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000336587711 177181487 /nfs/dbraw/zinc/18/14/87/177181487.db2.gz YYFBMMYVMULEBP-NWDGAFQWSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@H]1CC[S@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000361329895 177208518 /nfs/dbraw/zinc/20/85/18/177208518.db2.gz FFOHBCWYPTWWNP-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CC[S@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000361329895 177208519 /nfs/dbraw/zinc/20/85/19/177208519.db2.gz FFOHBCWYPTWWNP-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000282698675 177210805 /nfs/dbraw/zinc/21/08/05/177210805.db2.gz FRRZZUPPIWVQDO-NWALNABHSA-N 1 2 248.286 0.112 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000359068599 177215732 /nfs/dbraw/zinc/21/57/32/177215732.db2.gz XMVGCAHSVMZFJK-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000359068599 177215734 /nfs/dbraw/zinc/21/57/34/177215734.db2.gz XMVGCAHSVMZFJK-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CO ZINC000360837641 177215852 /nfs/dbraw/zinc/21/58/52/177215852.db2.gz QGYJTIJEDHTLBW-QWRGUYRKSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000357804031 177222977 /nfs/dbraw/zinc/22/29/77/177222977.db2.gz LZGBVSNRUGUTRQ-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H](C)[N@H+]1C ZINC000122181476 177232084 /nfs/dbraw/zinc/23/20/84/177232084.db2.gz XHZHVPYHAZLRCV-AOOOYVTPSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H](C)[N@@H+]1C ZINC000122181476 177232086 /nfs/dbraw/zinc/23/20/86/177232086.db2.gz XHZHVPYHAZLRCV-AOOOYVTPSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)[C@@H](C)C[N@@H+]1C ZINC000340007113 177238752 /nfs/dbraw/zinc/23/87/52/177238752.db2.gz VFKGEHUVGQTEAN-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)[C@@H](C)C[N@H+]1C ZINC000340007113 177238754 /nfs/dbraw/zinc/23/87/54/177238754.db2.gz VFKGEHUVGQTEAN-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)[C@@H](C)C[N@@H+]1C ZINC000336254787 177239186 /nfs/dbraw/zinc/23/91/86/177239186.db2.gz NZKNDXWZKNWRLU-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)[C@@H](C)C[N@H+]1C ZINC000336254787 177239187 /nfs/dbraw/zinc/23/91/87/177239187.db2.gz NZKNDXWZKNWRLU-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000041363418 177244117 /nfs/dbraw/zinc/24/41/17/177244117.db2.gz PXYOJBQDNPAWTE-PHIMTYICSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000041363418 177244118 /nfs/dbraw/zinc/24/41/18/177244118.db2.gz PXYOJBQDNPAWTE-PHIMTYICSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC000191380546 177250396 /nfs/dbraw/zinc/25/03/96/177250396.db2.gz XUAOUGZTFTYTNQ-RYUDHWBXSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC000191380546 177250398 /nfs/dbraw/zinc/25/03/98/177250398.db2.gz XUAOUGZTFTYTNQ-RYUDHWBXSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573283 177251474 /nfs/dbraw/zinc/25/14/74/177251474.db2.gz UJTURXWJYVJJNH-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573283 177251475 /nfs/dbraw/zinc/25/14/75/177251475.db2.gz UJTURXWJYVJJNH-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573283 177251476 /nfs/dbraw/zinc/25/14/76/177251476.db2.gz UJTURXWJYVJJNH-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573283 177251477 /nfs/dbraw/zinc/25/14/77/177251477.db2.gz UJTURXWJYVJJNH-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)CC[S@]1=O ZINC000346273884 177255715 /nfs/dbraw/zinc/25/57/15/177255715.db2.gz IWRUDDRRPOXJKL-ZUZCIYMTSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@H]1C[N@H+](CCn2cccn2)CCC1=O ZINC000229505679 177256300 /nfs/dbraw/zinc/25/63/00/177256300.db2.gz PUYYSVLHWNEOBA-JTQLQIEISA-N 1 2 207.277 0.794 20 0 BCADLO C[C@H]1C[N@@H+](CCn2cccn2)CCC1=O ZINC000229505679 177256301 /nfs/dbraw/zinc/25/63/01/177256301.db2.gz PUYYSVLHWNEOBA-JTQLQIEISA-N 1 2 207.277 0.794 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC(=O)N1 ZINC000294706929 177262743 /nfs/dbraw/zinc/26/27/43/177262743.db2.gz BRBSZOWZEUJKSA-VIFPVBQESA-N 1 2 247.298 0.106 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC(=O)N1 ZINC000294706929 177262744 /nfs/dbraw/zinc/26/27/44/177262744.db2.gz BRBSZOWZEUJKSA-VIFPVBQESA-N 1 2 247.298 0.106 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccccn2)CC(=O)N1C ZINC000282065369 177266217 /nfs/dbraw/zinc/26/62/17/177266217.db2.gz GXRKQGYMIRLLHU-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccccn2)CC(=O)N1C ZINC000282065369 177266219 /nfs/dbraw/zinc/26/62/19/177266219.db2.gz GXRKQGYMIRLLHU-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CCS(=O)(=O)C1 ZINC000361323335 177269975 /nfs/dbraw/zinc/26/99/75/177269975.db2.gz CLKGHOLNORPVQU-VIFPVBQESA-N 1 2 243.332 0.276 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CCS(=O)(=O)C1 ZINC000361323335 177269977 /nfs/dbraw/zinc/26/99/77/177269977.db2.gz CLKGHOLNORPVQU-VIFPVBQESA-N 1 2 243.332 0.276 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000351927486 177270749 /nfs/dbraw/zinc/27/07/49/177270749.db2.gz OBPPVGDGCLRNOF-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000351927486 177270751 /nfs/dbraw/zinc/27/07/51/177270751.db2.gz OBPPVGDGCLRNOF-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1O ZINC000341281235 177272028 /nfs/dbraw/zinc/27/20/28/177272028.db2.gz LZBZVHZWNJZHSL-IUCAKERBSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1O ZINC000341281235 177272030 /nfs/dbraw/zinc/27/20/30/177272030.db2.gz LZBZVHZWNJZHSL-IUCAKERBSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254786 177272722 /nfs/dbraw/zinc/27/27/22/177272722.db2.gz NZKNDXWZKNWRLU-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254786 177272723 /nfs/dbraw/zinc/27/27/23/177272723.db2.gz NZKNDXWZKNWRLU-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1COCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000336548419 177288216 /nfs/dbraw/zinc/28/82/16/177288216.db2.gz QIHBAKSJHFXHBK-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000328611853 177288994 /nfs/dbraw/zinc/28/89/94/177288994.db2.gz OVBQULPBGHXOIK-SECBINFHSA-N 1 2 237.307 0.476 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000328611853 177288995 /nfs/dbraw/zinc/28/89/95/177288995.db2.gz OVBQULPBGHXOIK-SECBINFHSA-N 1 2 237.307 0.476 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000355056694 177291183 /nfs/dbraw/zinc/29/11/83/177291183.db2.gz BYPLZHZXGZOQJJ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1CCC1 ZINC000355056694 177291186 /nfs/dbraw/zinc/29/11/86/177291186.db2.gz BYPLZHZXGZOQJJ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCC1 ZINC000337515021 177291934 /nfs/dbraw/zinc/29/19/34/177291934.db2.gz PGPQOSOBXWRYGJ-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CCC1 ZINC000337515021 177291936 /nfs/dbraw/zinc/29/19/36/177291936.db2.gz PGPQOSOBXWRYGJ-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1c[nH]nn1 ZINC000331354737 177292046 /nfs/dbraw/zinc/29/20/46/177292046.db2.gz PTILYGGQPBUIRB-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1c[nH]nn1 ZINC000331354737 177292048 /nfs/dbraw/zinc/29/20/48/177292048.db2.gz PTILYGGQPBUIRB-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1cn[nH]n1 ZINC000331354737 177292050 /nfs/dbraw/zinc/29/20/50/177292050.db2.gz PTILYGGQPBUIRB-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1cn[nH]n1 ZINC000331354737 177292051 /nfs/dbraw/zinc/29/20/51/177292051.db2.gz PTILYGGQPBUIRB-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356349270 177292111 /nfs/dbraw/zinc/29/21/11/177292111.db2.gz HBBOSDNJSOHIRA-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356349270 177292113 /nfs/dbraw/zinc/29/21/13/177292113.db2.gz HBBOSDNJSOHIRA-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1n[nH]c(=O)[nH]1 ZINC000331325738 177292336 /nfs/dbraw/zinc/29/23/36/177292336.db2.gz OFWMIEMTPBPJIW-ZETCQYMHSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1n[nH]c(=O)[nH]1 ZINC000331325738 177292337 /nfs/dbraw/zinc/29/23/37/177292337.db2.gz OFWMIEMTPBPJIW-ZETCQYMHSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341833016 177292413 /nfs/dbraw/zinc/29/24/13/177292413.db2.gz CWBYHRKOFSYVMM-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341833016 177292415 /nfs/dbraw/zinc/29/24/15/177292415.db2.gz CWBYHRKOFSYVMM-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CC(N)=O ZINC000371602020 177299148 /nfs/dbraw/zinc/29/91/48/177299148.db2.gz NNGGOXMJQBYELB-JQWIXIFHSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CC(N)=O ZINC000371602020 177299149 /nfs/dbraw/zinc/29/91/49/177299149.db2.gz NNGGOXMJQBYELB-JQWIXIFHSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000282435696 177322982 /nfs/dbraw/zinc/32/29/82/177322982.db2.gz DOODLSLNEIMARS-QXFUBDJGSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000332707602 177338435 /nfs/dbraw/zinc/33/84/35/177338435.db2.gz YJMWAXGQEVPJIW-DTWKUNHWSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000332707602 177338437 /nfs/dbraw/zinc/33/84/37/177338437.db2.gz YJMWAXGQEVPJIW-DTWKUNHWSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000043311515 177344260 /nfs/dbraw/zinc/34/42/60/177344260.db2.gz HLQNBQWDYXHZJP-VHSXEESVSA-N 1 2 222.292 0.838 20 0 BCADLO C[C@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000076048604 177384004 /nfs/dbraw/zinc/38/40/04/177384004.db2.gz WHAAGXPUMWIWNH-DTWKUNHWSA-N 1 2 208.265 0.591 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378057633 177399668 /nfs/dbraw/zinc/39/96/68/177399668.db2.gz MLNVECVHLNUPRY-KOLCDFICSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cnns1 ZINC000307062914 487642777 /nfs/dbraw/zinc/64/27/77/487642777.db2.gz NKXQZCHIPCWRFJ-SFYZADRCSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cnns1 ZINC000307062914 487642781 /nfs/dbraw/zinc/64/27/81/487642781.db2.gz NKXQZCHIPCWRFJ-SFYZADRCSA-N 1 2 213.306 0.883 20 0 BCADLO Cc1nc(N(C)CC(F)F)nc(N(C)C)[nH+]1 ZINC000488359765 225387878 /nfs/dbraw/zinc/38/78/78/225387878.db2.gz VJZDFWSAVGVPCH-UHFFFAOYSA-N 1 2 231.250 0.947 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CC(F)F)[nH+]1 ZINC000488359765 225387883 /nfs/dbraw/zinc/38/78/83/225387883.db2.gz VJZDFWSAVGVPCH-UHFFFAOYSA-N 1 2 231.250 0.947 20 0 BCADLO CO[C@H]1C[NH+](Cc2nccs2)C[C@@H]1OC ZINC000488082374 225346710 /nfs/dbraw/zinc/34/67/10/225346710.db2.gz YBGDPZJTOUGMQV-IUCAKERBSA-N 1 2 228.317 0.989 20 0 BCADLO COc1ncccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000488167082 225352555 /nfs/dbraw/zinc/35/25/55/225352555.db2.gz JONMFEGIZCZJHT-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ncccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000488167082 225352557 /nfs/dbraw/zinc/35/25/57/225352557.db2.gz JONMFEGIZCZJHT-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO OCc1ccc(C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000168681398 487647024 /nfs/dbraw/zinc/64/70/24/487647024.db2.gz YVSXPTQBAKLHNB-CYBMUJFWSA-N 1 2 237.299 0.372 20 0 BCADLO OCc1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000168681398 487647027 /nfs/dbraw/zinc/64/70/27/487647027.db2.gz YVSXPTQBAKLHNB-CYBMUJFWSA-N 1 2 237.299 0.372 20 0 BCADLO Cn1cnnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814059 226059428 /nfs/dbraw/zinc/05/94/28/226059428.db2.gz RYIRTPSKQPAXJX-NSCUHMNNSA-N 1 2 218.220 0.190 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC(=O)N1 ZINC000492816155 226060026 /nfs/dbraw/zinc/06/00/26/226060026.db2.gz ZHKAZFLNVQRFRK-LWTINBJPSA-N 1 2 248.286 0.208 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861591 226068112 /nfs/dbraw/zinc/06/81/12/226068112.db2.gz JWZQCOWUIJLNMR-AHJNMMPFSA-N 1 2 241.316 0.306 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1=O ZINC000492867660 226071956 /nfs/dbraw/zinc/07/19/56/226071956.db2.gz RWUKTTIISMVBKR-DUXPYHPUSA-N 1 2 244.254 0.760 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000492869591 226071991 /nfs/dbraw/zinc/07/19/91/226071991.db2.gz UXCWTPIZJHMGJY-ADLDAWLNSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCn1cc[nH+]c1 ZINC000492890977 226076055 /nfs/dbraw/zinc/07/60/55/226076055.db2.gz CPAMYGLWHZEATQ-OWOJBTEDSA-N 1 2 231.259 0.436 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1CC(O)C1 ZINC000492893048 226076171 /nfs/dbraw/zinc/07/61/71/226076171.db2.gz FVLUXUFJDKRTEV-UPHRSURJSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC(F)F ZINC000492898465 226077976 /nfs/dbraw/zinc/07/79/76/226077976.db2.gz LDRQGFSFDFYKBB-UPHRSURJSA-N 1 2 245.229 0.821 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000492901382 226080300 /nfs/dbraw/zinc/08/03/00/226080300.db2.gz OZKPJLPHPUNIAT-XADBCAIWSA-N 1 2 233.271 0.860 20 0 BCADLO NC(=O)c1cc(NC(=O)C=Cc2c[nH]c[nH+]2)c[nH]1 ZINC000492904074 226080685 /nfs/dbraw/zinc/08/06/85/226080685.db2.gz VQUFVTALRZTKOY-OWOJBTEDSA-N 1 2 245.242 0.489 20 0 BCADLO Cc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)n1C ZINC000492948454 226089622 /nfs/dbraw/zinc/08/96/22/226089622.db2.gz IJGBCLRBELOUOI-ARJAWSKDSA-N 1 2 232.247 0.499 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](O)C1CC1 ZINC000493325034 226185318 /nfs/dbraw/zinc/18/53/18/226185318.db2.gz QWJVIGKIYZWNFA-NWALNABHSA-N 1 2 221.260 0.310 20 0 BCADLO COC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493074685 226118626 /nfs/dbraw/zinc/11/86/26/226118626.db2.gz VHXDTGCLHHHSDA-MPJRPATESA-N 1 2 209.249 0.574 20 0 BCADLO CO[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493078294 226120016 /nfs/dbraw/zinc/12/00/16/226120016.db2.gz ZVYGEIUWYNKLNT-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](CO)C1CC1 ZINC000493092753 226125107 /nfs/dbraw/zinc/12/51/07/226125107.db2.gz YGZIUOWVEQAVLS-XOULXFPDSA-N 1 2 235.287 0.558 20 0 BCADLO C[C@H](O)[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493119154 226132027 /nfs/dbraw/zinc/13/20/27/226132027.db2.gz NQQVUVLGOLLOFE-MDCNRGEUSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H](O)[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493119153 226132209 /nfs/dbraw/zinc/13/22/09/226132209.db2.gz NQQVUVLGOLLOFE-AQHVTNBVSA-N 1 2 235.287 0.652 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(F)F ZINC000493157449 226142245 /nfs/dbraw/zinc/14/22/45/226142245.db2.gz OMETTYMWXXCUFX-OWOJBTEDSA-N 1 2 201.176 0.804 20 0 BCADLO NC(=O)[C@@H]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493206238 226154762 /nfs/dbraw/zinc/15/47/62/226154762.db2.gz XFNLCTKHKIGXAK-BKIAHZASSA-N 1 2 248.286 0.193 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@H](CF)C1 ZINC000493242823 226164714 /nfs/dbraw/zinc/16/47/14/226164714.db2.gz VVJYPHHUVBVSJU-JKERVTFKSA-N 1 2 239.250 0.620 20 0 BCADLO C[S@@](=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493357873 226194743 /nfs/dbraw/zinc/19/47/43/226194743.db2.gz SSJFDQVPXCPPKY-MJSXRHKHSA-N 1 2 241.316 0.308 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCN(C)C1=O ZINC000493359579 226195461 /nfs/dbraw/zinc/19/54/61/226195461.db2.gz AZLJZJXZBCYHMO-NWALNABHSA-N 1 2 248.286 0.112 20 0 BCADLO Cn1cc(CCNC(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000493485294 226229202 /nfs/dbraw/zinc/22/92/02/226229202.db2.gz BZOGVGDXGVEKAT-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO Cc1nn(C)cc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493495796 226233066 /nfs/dbraw/zinc/23/30/66/226233066.db2.gz OEVLMTXCUBGFLM-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO Cn1ccsc1=NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493528080 226239330 /nfs/dbraw/zinc/23/93/30/226239330.db2.gz SMEODDBKSIGJMP-IOHJALEOSA-N 1 2 234.284 0.950 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)C1CC1 ZINC000493527760 226239712 /nfs/dbraw/zinc/23/97/12/226239712.db2.gz ROOBYBSBTXCURM-ARJAWSKDSA-N 1 2 219.244 0.518 20 0 BCADLO C[C@H](O)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493585338 226244781 /nfs/dbraw/zinc/24/47/81/226244781.db2.gz HZFIBFUFKUNUBA-MDCNRGEUSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495663124 226285318 /nfs/dbraw/zinc/28/53/18/226285318.db2.gz ZYWIYAIAFALVNB-RKDXNWHRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495663124 226285319 /nfs/dbraw/zinc/28/53/19/226285319.db2.gz ZYWIYAIAFALVNB-RKDXNWHRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC(=O)N1 ZINC000493711119 226250651 /nfs/dbraw/zinc/25/06/51/226250651.db2.gz UUGTTYGYDMRDGZ-JDGPPOGSSA-N 1 2 248.286 0.208 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCCn1cc[nH+]c1 ZINC000493787610 226254251 /nfs/dbraw/zinc/25/42/51/226254251.db2.gz VQRVHSMKAWUHLE-IHWYPQMZSA-N 1 2 245.286 0.826 20 0 BCADLO COCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493867527 226258057 /nfs/dbraw/zinc/25/80/57/226258057.db2.gz GLVRIMYSZRGPTO-SNAWJCMRSA-N 1 2 223.276 0.964 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495794366 226288495 /nfs/dbraw/zinc/28/84/95/226288495.db2.gz MEBYAVYGNVGURA-RKDXNWHRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495794366 226288496 /nfs/dbraw/zinc/28/84/96/226288496.db2.gz MEBYAVYGNVGURA-RKDXNWHRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OCCCF)CCO1 ZINC000496107182 226296672 /nfs/dbraw/zinc/29/66/72/226296672.db2.gz YSNNQFMMYUCYEV-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OCCCF)CCO1 ZINC000496107182 226296673 /nfs/dbraw/zinc/29/66/73/226296673.db2.gz YSNNQFMMYUCYEV-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO O=C1NCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC000496147663 226297623 /nfs/dbraw/zinc/29/76/23/226297623.db2.gz QMSHZCHEXFPULB-UHFFFAOYSA-N 1 2 218.256 0.981 20 0 BCADLO CSC1(C[NH+]2CC3(C2)CNC(=O)O3)CC1 ZINC000496257482 226300380 /nfs/dbraw/zinc/30/03/80/226300380.db2.gz WSJNRWQOZOROLT-UHFFFAOYSA-N 1 2 228.317 0.676 20 0 BCADLO CCc1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000653737966 487655992 /nfs/dbraw/zinc/65/59/92/487655992.db2.gz DGMFOBXEIQEQBV-JGVFFNPUSA-N 1 2 225.292 0.881 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCS1 ZINC000674937046 487659091 /nfs/dbraw/zinc/65/90/91/487659091.db2.gz SHGXYFFGFFLKFB-VIFPVBQESA-N 1 2 225.317 0.895 20 0 BCADLO C[C@H]1C[N@H+](CCN(C)Cc2cn[nH]c2)CCO1 ZINC000669691417 487666497 /nfs/dbraw/zinc/66/64/97/487666497.db2.gz QDXSQWWOLKBVJN-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1C[N@@H+](CCN(C)Cc2cn[nH]c2)CCO1 ZINC000669691417 487666501 /nfs/dbraw/zinc/66/65/01/487666501.db2.gz QDXSQWWOLKBVJN-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[C@H]1O ZINC000557527099 322938767 /nfs/dbraw/zinc/93/87/67/322938767.db2.gz NHZUQKITISRKDN-GHMZBOCLSA-N 1 2 237.303 0.334 20 0 BCADLO COC(=O)COC[C@H](C)Nc1c[nH]c[nH+]1 ZINC000568718297 322938615 /nfs/dbraw/zinc/93/86/15/322938615.db2.gz VIQOVZHNEQGJEP-ZETCQYMHSA-N 1 2 213.237 0.400 20 0 BCADLO OCCN(c1cc(CO)cc[nH+]1)C1CCC1 ZINC000228508734 487668388 /nfs/dbraw/zinc/66/83/88/487668388.db2.gz WMXNWPGEEHYLLZ-UHFFFAOYSA-N 1 2 222.288 0.925 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)C(F)F ZINC000228513954 487669485 /nfs/dbraw/zinc/66/94/85/487669485.db2.gz BAHHBIRTSMLZDV-RNFRBKRXSA-N 1 2 227.276 0.807 20 0 BCADLO C[C@H](C[N@H+](C)Cc1cn[nH]c1)CS(C)(=O)=O ZINC000675124846 487671460 /nfs/dbraw/zinc/67/14/60/487671460.db2.gz GZSKNRNQRKJKGS-SECBINFHSA-N 1 2 245.348 0.522 20 0 BCADLO C[C@H](C[N@@H+](C)Cc1cn[nH]c1)CS(C)(=O)=O ZINC000675124846 487671463 /nfs/dbraw/zinc/67/14/63/487671463.db2.gz GZSKNRNQRKJKGS-SECBINFHSA-N 1 2 245.348 0.522 20 0 BCADLO COCc1cncc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000680926606 487672722 /nfs/dbraw/zinc/67/27/22/487672722.db2.gz PQPXSFFNSNLRFV-UHFFFAOYSA-N 1 2 249.314 0.616 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000557670354 322940969 /nfs/dbraw/zinc/94/09/69/322940969.db2.gz WDDCJVMBGGJICA-LYGAQUJYSA-N 1 2 246.376 0.210 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)o1 ZINC000671704169 487698311 /nfs/dbraw/zinc/69/83/11/487698311.db2.gz SEFJHXQDVAESKH-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H]2CCCOC2)o1 ZINC000671704169 487698317 /nfs/dbraw/zinc/69/83/17/487698317.db2.gz SEFJHXQDVAESKH-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO COc1ccc[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC000527828042 262887550 /nfs/dbraw/zinc/88/75/50/262887550.db2.gz NXGHJCUNQPUTGW-SECBINFHSA-N 1 2 235.287 0.792 20 0 BCADLO O=C(/C=C/c1cncc(O)c1)NCc1[nH]cc[nH+]1 ZINC000492365774 262916359 /nfs/dbraw/zinc/91/63/59/262916359.db2.gz RGFZHKDXSGCCSP-OWOJBTEDSA-N 1 2 244.254 0.840 20 0 BCADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCO ZINC000671711594 487701698 /nfs/dbraw/zinc/70/16/98/487701698.db2.gz FRZTVRQJBCHJSR-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCO ZINC000671711594 487701703 /nfs/dbraw/zinc/70/17/03/487701703.db2.gz FRZTVRQJBCHJSR-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO COCC[N@@H+](CC(F)F)C[C@H](C)CO ZINC000120840091 490069760 /nfs/dbraw/zinc/06/97/60/490069760.db2.gz PJWUNDIMFJKESA-QMMMGPOBSA-N 1 2 211.252 0.828 20 0 BCADLO COCC[N@H+](CC(F)F)C[C@H](C)CO ZINC000120840091 490069764 /nfs/dbraw/zinc/06/97/64/490069764.db2.gz PJWUNDIMFJKESA-QMMMGPOBSA-N 1 2 211.252 0.828 20 0 BCADLO Nc1ccc(NC(=O)CCN2CCCC2=O)c[nH+]1 ZINC000151605295 487707444 /nfs/dbraw/zinc/70/74/44/487707444.db2.gz JRDBJCDYZVIBJE-UHFFFAOYSA-N 1 2 248.286 0.615 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCOC1 ZINC000682032603 487707763 /nfs/dbraw/zinc/70/77/63/487707763.db2.gz IMWDTKAYVXNASC-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1CCOC1 ZINC000682032603 487707772 /nfs/dbraw/zinc/70/77/72/487707772.db2.gz IMWDTKAYVXNASC-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC000675360660 487719553 /nfs/dbraw/zinc/71/95/53/487719553.db2.gz VDYLFXCUOLCWJA-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@H]2CCO)nc(N)[nH+]1 ZINC000631219415 487719940 /nfs/dbraw/zinc/71/99/40/487719940.db2.gz KRSRGAGGJQZAFK-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H]2CCO)[nH+]1 ZINC000631219415 487719941 /nfs/dbraw/zinc/71/99/41/487719941.db2.gz KRSRGAGGJQZAFK-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO O=C1C[C@H](CNc2cc[nH+]c(C3CC3)n2)CN1 ZINC000665743884 487720522 /nfs/dbraw/zinc/72/05/22/487720522.db2.gz NUKQFFXFWZEJIG-MRVPVSSYSA-N 1 2 232.287 0.902 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)[nH]1 ZINC000661596679 487726870 /nfs/dbraw/zinc/72/68/70/487726870.db2.gz KEXDXGVIYGFFNG-ZJUUUORDSA-N 1 2 249.318 0.214 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)[nH]1 ZINC000661596679 487726872 /nfs/dbraw/zinc/72/68/72/487726872.db2.gz KEXDXGVIYGFFNG-ZJUUUORDSA-N 1 2 249.318 0.214 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)CCCO ZINC000384599015 487728961 /nfs/dbraw/zinc/72/89/61/487728961.db2.gz QNHBJQNJLOTLKX-QMMMGPOBSA-N 1 2 240.307 0.310 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)CCCO ZINC000384599015 487728965 /nfs/dbraw/zinc/72/89/65/487728965.db2.gz QNHBJQNJLOTLKX-QMMMGPOBSA-N 1 2 240.307 0.310 20 0 BCADLO CCC[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000676733970 487734348 /nfs/dbraw/zinc/73/43/48/487734348.db2.gz DLGAHGYMYVJVKA-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000088590212 487736166 /nfs/dbraw/zinc/73/61/66/487736166.db2.gz ATWPELKPIWNUCO-VIFPVBQESA-N 1 2 239.323 0.425 20 0 BCADLO Cn1cc(CNc2cc(NC3CC3)[nH+]cn2)nn1 ZINC000665711111 487737277 /nfs/dbraw/zinc/73/72/77/487737277.db2.gz RWBNCQHYNALOHI-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO Cn1cc(CNc2cc(NC3CC3)nc[nH+]2)nn1 ZINC000665711111 487737279 /nfs/dbraw/zinc/73/72/79/487737279.db2.gz RWBNCQHYNALOHI-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO C[C@@H](O)C[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665711056 487737460 /nfs/dbraw/zinc/73/74/60/487737460.db2.gz HBFUJNJKZUCNOB-JGVFFNPUSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@@H](O)C[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665711056 487737463 /nfs/dbraw/zinc/73/74/63/487737463.db2.gz HBFUJNJKZUCNOB-JGVFFNPUSA-N 1 2 238.291 0.852 20 0 BCADLO CC(F)(F)CCNc1[nH+]cnc2c1OCCN2 ZINC000665721170 487740065 /nfs/dbraw/zinc/74/00/65/487740065.db2.gz GEDALRNNKGIURA-UHFFFAOYSA-N 1 2 244.245 0.851 20 0 BCADLO CC(F)(F)CCNc1nc[nH+]c2c1OCCN2 ZINC000665721170 487740070 /nfs/dbraw/zinc/74/00/70/487740070.db2.gz GEDALRNNKGIURA-UHFFFAOYSA-N 1 2 244.245 0.851 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCN(C)C1=O ZINC000681263764 487763908 /nfs/dbraw/zinc/76/39/08/487763908.db2.gz OQUSRYGFUYXCFN-SECBINFHSA-N 1 2 233.271 0.229 20 0 BCADLO CCn1nccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000681266088 487764549 /nfs/dbraw/zinc/76/45/49/487764549.db2.gz RKIXHELEZPKDPP-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO CN(C)c1ccc(CNC(=O)c2ncc[nH]2)c[nH+]1 ZINC000666249087 487766942 /nfs/dbraw/zinc/76/69/42/487766942.db2.gz SQNDUGURWRDZBX-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CC[N@@H+](Cc1nncn1C)C[C@H](C)OC ZINC000555255040 487773211 /nfs/dbraw/zinc/77/32/11/487773211.db2.gz ZAABFFYUCCSILV-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1nncn1C)C[C@H](C)OC ZINC000555255040 487773215 /nfs/dbraw/zinc/77/32/15/487773215.db2.gz ZAABFFYUCCSILV-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccncc2F)C1 ZINC000459602825 487777864 /nfs/dbraw/zinc/77/78/64/487777864.db2.gz GABHJVUJRCUUQK-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO CCc1n[nH]cc1C(=O)NCCc1c[nH+]cn1C ZINC000681344841 487781074 /nfs/dbraw/zinc/78/10/74/487781074.db2.gz XDKDGLHHUKNJOM-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000666353158 487791937 /nfs/dbraw/zinc/79/19/37/487791937.db2.gz NQICMPABKKEULG-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1nncs1 ZINC000450312268 487795150 /nfs/dbraw/zinc/79/51/50/487795150.db2.gz GTGAFGZNYQDBDX-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1nncs1 ZINC000450312268 487795156 /nfs/dbraw/zinc/79/51/56/487795156.db2.gz GTGAFGZNYQDBDX-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000675952574 487795183 /nfs/dbraw/zinc/79/51/83/487795183.db2.gz BBUKKJIEFTYFQL-CMPLNLGQSA-N 1 2 248.330 0.868 20 0 BCADLO CN1CCN(CC(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000684216877 487796677 /nfs/dbraw/zinc/79/66/77/487796677.db2.gz UNAMPADUWHWEAC-QMMMGPOBSA-N 1 2 230.262 0.963 20 0 BCADLO COCCC1C[NH+](Cc2cn(C)nn2)C1 ZINC000668472755 487797709 /nfs/dbraw/zinc/79/77/09/487797709.db2.gz HDMWUUZLBQUZHV-UHFFFAOYSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCF ZINC000666430142 487798938 /nfs/dbraw/zinc/79/89/38/487798938.db2.gz QPYJXSXQEHZWPL-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394831578 487809433 /nfs/dbraw/zinc/80/94/33/487809433.db2.gz XZLVDNZCEDSLJM-LLVKDONJSA-N 1 2 225.336 0.293 20 0 BCADLO CCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394831578 487809437 /nfs/dbraw/zinc/80/94/37/487809437.db2.gz XZLVDNZCEDSLJM-LLVKDONJSA-N 1 2 225.336 0.293 20 0 BCADLO Cc1nc(N2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000676078647 487809747 /nfs/dbraw/zinc/80/97/47/487809747.db2.gz KPOQPKWZBCGOHT-ZETCQYMHSA-N 1 2 207.281 0.845 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@@H]2C)[nH+]1 ZINC000676078647 487809751 /nfs/dbraw/zinc/80/97/51/487809751.db2.gz KPOQPKWZBCGOHT-ZETCQYMHSA-N 1 2 207.281 0.845 20 0 BCADLO Cc1nc(NC[C@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000676080527 487809940 /nfs/dbraw/zinc/80/99/40/487809940.db2.gz JBAUVGLTMKDAAR-MRVPVSSYSA-N 1 2 239.323 0.676 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H](C)CCO)[nH+]1 ZINC000676080527 487809936 /nfs/dbraw/zinc/80/99/36/487809936.db2.gz JBAUVGLTMKDAAR-MRVPVSSYSA-N 1 2 239.323 0.676 20 0 BCADLO Cc1nc(N(C)C)nc(NC2(CO)CCC2)[nH+]1 ZINC000676082250 487811838 /nfs/dbraw/zinc/81/18/38/487811838.db2.gz FOCMMMFFMNISKB-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO Cc1nc(NC2(CO)CCC2)nc(N(C)C)[nH+]1 ZINC000676082250 487811839 /nfs/dbraw/zinc/81/18/39/487811839.db2.gz FOCMMMFFMNISKB-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C1CC1 ZINC000666451854 487812375 /nfs/dbraw/zinc/81/23/75/487812375.db2.gz QAOKMHSMTIHLEW-WCBMZHEXSA-N 1 2 223.276 0.159 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884495 487813194 /nfs/dbraw/zinc/81/31/94/487813194.db2.gz TULRHOXYQTWWBD-ZYHUDNBSSA-N 1 2 239.319 0.422 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884495 487813197 /nfs/dbraw/zinc/81/31/97/487813197.db2.gz TULRHOXYQTWWBD-ZYHUDNBSSA-N 1 2 239.319 0.422 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681552984 487815143 /nfs/dbraw/zinc/81/51/43/487815143.db2.gz HILFDPJFDOWSIY-SECBINFHSA-N 1 2 237.303 0.333 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000557823266 322942867 /nfs/dbraw/zinc/94/28/67/322942867.db2.gz WTXQGCUVAPIZNU-DTWKUNHWSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000557830935 322943111 /nfs/dbraw/zinc/94/31/11/322943111.db2.gz AJLFSVARDKXYDY-VROVMSAKSA-N 1 2 221.260 0.103 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605170 487822735 /nfs/dbraw/zinc/82/27/35/487822735.db2.gz UACXSRRQQVNGPX-LLVKDONJSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605170 487822743 /nfs/dbraw/zinc/82/27/43/487822743.db2.gz UACXSRRQQVNGPX-LLVKDONJSA-N 1 2 246.318 0.942 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(F)C1 ZINC000684325044 487823295 /nfs/dbraw/zinc/82/32/95/487823295.db2.gz HCEDQWUDFNFHNM-UHFFFAOYSA-N 1 2 211.240 0.533 20 0 BCADLO CC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000792395712 586000327 /nfs/dbraw/zinc/00/03/27/586000327.db2.gz XNOALHICORKTKT-NXEZZACHSA-N 1 2 217.334 0.807 20 0 BCADLO C[C@@]12CC[N@H+](CC(N)=O)C[C@@H]1C2(Cl)Cl ZINC000792915627 586006717 /nfs/dbraw/zinc/00/67/17/586006717.db2.gz YWVOEJAGMFKJIY-POYBYMJQSA-N 1 2 237.130 0.987 20 0 BCADLO C[C@@]12CC[N@@H+](CC(N)=O)C[C@@H]1C2(Cl)Cl ZINC000792915627 586006718 /nfs/dbraw/zinc/00/67/18/586006718.db2.gz YWVOEJAGMFKJIY-POYBYMJQSA-N 1 2 237.130 0.987 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(CC(F)F)C[C@H]21 ZINC000676241204 487827991 /nfs/dbraw/zinc/82/79/91/487827991.db2.gz HYNHMGGFSOPZAZ-HTQZYQBOSA-N 1 2 206.236 0.266 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(CC(F)F)C[C@H]21 ZINC000676241204 487827998 /nfs/dbraw/zinc/82/79/98/487827998.db2.gz HYNHMGGFSOPZAZ-HTQZYQBOSA-N 1 2 206.236 0.266 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676262422 487829501 /nfs/dbraw/zinc/82/95/01/487829501.db2.gz YSOTVMKNMAGTSS-WDEREUQCSA-N 1 2 242.319 0.191 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676262422 487829505 /nfs/dbraw/zinc/82/95/05/487829505.db2.gz YSOTVMKNMAGTSS-WDEREUQCSA-N 1 2 242.319 0.191 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676262419 487829692 /nfs/dbraw/zinc/82/96/92/487829692.db2.gz YSOTVMKNMAGTSS-GHMZBOCLSA-N 1 2 242.319 0.191 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676262419 487829695 /nfs/dbraw/zinc/82/96/95/487829695.db2.gz YSOTVMKNMAGTSS-GHMZBOCLSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@@H+](CCS(=O)(=O)CC)[C@@H]1CCOC1 ZINC000812878812 586588137 /nfs/dbraw/zinc/58/81/37/586588137.db2.gz IBFUVQFSIOKSJQ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCO/C=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000493834898 528478517 /nfs/dbraw/zinc/47/85/17/528478517.db2.gz HPBJOHAXWLRCEW-VUQUXZKVSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C 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323032971 /nfs/dbraw/zinc/03/29/71/323032971.db2.gz CJQXVPWZELUGID-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](CF)C1 ZINC000572728323 323037689 /nfs/dbraw/zinc/03/76/89/323037689.db2.gz KKNHCQDEZDALRI-JTQLQIEISA-N 1 2 241.266 0.470 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000569739412 323039525 /nfs/dbraw/zinc/03/95/25/323039525.db2.gz LYCRNOFFXCCJNS-XHNCKOQMSA-N 1 2 218.247 0.504 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000569739412 323039526 /nfs/dbraw/zinc/03/95/26/323039526.db2.gz LYCRNOFFXCCJNS-XHNCKOQMSA-N 1 2 218.247 0.504 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CNC(=O)C2)c(C)c[nH+]1 ZINC000569768189 323040087 /nfs/dbraw/zinc/04/00/87/323040087.db2.gz BXHIJFLPLVPCEX-VIFPVBQESA-N 1 2 248.286 0.130 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000569813550 323041299 /nfs/dbraw/zinc/04/12/99/323041299.db2.gz ISUWWOVRHHVLRD-ZETCQYMHSA-N 1 2 241.320 0.089 20 0 BCADLO Cc1nnsc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000569813550 323041300 /nfs/dbraw/zinc/04/13/00/323041300.db2.gz ISUWWOVRHHVLRD-ZETCQYMHSA-N 1 2 241.320 0.089 20 0 BCADLO CSCC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000569870254 323043481 /nfs/dbraw/zinc/04/34/81/323043481.db2.gz WMDPTZHTJUUYRQ-SECBINFHSA-N 1 2 243.332 0.113 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1ccnn1C ZINC000569939898 323045352 /nfs/dbraw/zinc/04/53/52/323045352.db2.gz FTRKJUPEDRZXGV-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC000570024790 323047528 /nfs/dbraw/zinc/04/75/28/323047528.db2.gz OOCIZPZBWHUEIG-SSDOTTSWSA-N 1 2 246.274 0.597 20 0 BCADLO CN(CC1(O)CCC1)C(=O)Cn1cc[nH+]c1 ZINC000570090707 323049625 /nfs/dbraw/zinc/04/96/25/323049625.db2.gz PVZMMDMJAZFRTJ-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000570100434 323049744 /nfs/dbraw/zinc/04/97/44/323049744.db2.gz OOYHAQFGKGXZEL-QWRGUYRKSA-N 1 2 237.303 0.767 20 0 BCADLO CC[C@H]1C[N@H+](CC(N)=O)CCN1CC(F)F ZINC000153551922 323052301 /nfs/dbraw/zinc/05/23/01/323052301.db2.gz WKUNUUHJNOJBOB-QMMMGPOBSA-N 1 2 235.278 0.133 20 0 BCADLO CC[C@H]1C[N@@H+](CC(N)=O)CCN1CC(F)F ZINC000153551922 323052302 /nfs/dbraw/zinc/05/23/02/323052302.db2.gz WKUNUUHJNOJBOB-QMMMGPOBSA-N 1 2 235.278 0.133 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1O ZINC000570197119 323052488 /nfs/dbraw/zinc/05/24/88/323052488.db2.gz SCJACADOCVSINH-IUCAKERBSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1O ZINC000570197119 323052489 /nfs/dbraw/zinc/05/24/89/323052489.db2.gz SCJACADOCVSINH-IUCAKERBSA-N 1 2 228.317 0.318 20 0 BCADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1cnn(C)c1 ZINC000570291965 323055608 /nfs/dbraw/zinc/05/56/08/323055608.db2.gz GCHBCVZKIYLQFE-UHFFFAOYSA-N 1 2 236.319 0.725 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@@H](CF)C1 ZINC000570294656 323055627 /nfs/dbraw/zinc/05/56/27/323055627.db2.gz VAZSHCHKNSYBLJ-ZETCQYMHSA-N 1 2 242.254 0.242 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@@H](CF)C1 ZINC000570294656 323055628 /nfs/dbraw/zinc/05/56/28/323055628.db2.gz VAZSHCHKNSYBLJ-ZETCQYMHSA-N 1 2 242.254 0.242 20 0 BCADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)n(C)n1 ZINC000570294496 323055712 /nfs/dbraw/zinc/05/57/12/323055712.db2.gz SNNJWIJFPBBQQW-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cc(C[N@H+]2CCn3nncc3C2)n(C)n1 ZINC000570294496 323055713 /nfs/dbraw/zinc/05/57/13/323055713.db2.gz SNNJWIJFPBBQQW-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cnc3cnccn23)C1 ZINC000570451237 323059943 /nfs/dbraw/zinc/05/99/43/323059943.db2.gz BDRODJFFLGLNEX-UHFFFAOYSA-N 1 2 245.286 0.037 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1CCSCC1 ZINC000570759118 323069451 /nfs/dbraw/zinc/06/94/51/323069451.db2.gz DLVIHFSGFXMQIE-UHFFFAOYSA-N 1 2 239.344 0.974 20 0 BCADLO Cc1cc(NC(=O)C(C)(C)CO)cc[nH+]1 ZINC000570813389 323071256 /nfs/dbraw/zinc/07/12/56/323071256.db2.gz IOHDOQODHHVYQQ-UHFFFAOYSA-N 1 2 208.261 0.769 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccncc1 ZINC000163365817 323072609 /nfs/dbraw/zinc/07/26/09/323072609.db2.gz JMYRTYHDSHIJTA-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccncc1 ZINC000163365817 323072610 /nfs/dbraw/zinc/07/26/10/323072610.db2.gz JMYRTYHDSHIJTA-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO NC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082288615 323075395 /nfs/dbraw/zinc/07/53/95/323075395.db2.gz UDPDNBVZWGLJDG-UHFFFAOYSA-N 1 2 244.254 0.087 20 0 BCADLO CCc1nnc(NC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC000182256886 323084883 /nfs/dbraw/zinc/08/48/83/323084883.db2.gz HWBXTRYNWWJZGO-ZETCQYMHSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1n[nH]c(NC(=O)[C@H](CC)[NH+](C)C)n1 ZINC000182256886 323084884 /nfs/dbraw/zinc/08/48/84/323084884.db2.gz HWBXTRYNWWJZGO-ZETCQYMHSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1nc(NC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC000182256886 323084885 /nfs/dbraw/zinc/08/48/85/323084885.db2.gz HWBXTRYNWWJZGO-ZETCQYMHSA-N 1 2 225.296 0.646 20 0 BCADLO O=C(CC[C@H]1CCOC1)NCCn1cc[nH+]c1 ZINC000531192050 323085014 /nfs/dbraw/zinc/08/50/14/323085014.db2.gz LPZXFHDUIOKAGF-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@H](OC)C1 ZINC000531214597 323085860 /nfs/dbraw/zinc/08/58/60/323085860.db2.gz HUYGRRGVNZJPNE-JTQLQIEISA-N 1 2 239.323 0.694 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@H](OC)C1 ZINC000531214597 323085861 /nfs/dbraw/zinc/08/58/61/323085861.db2.gz HUYGRRGVNZJPNE-JTQLQIEISA-N 1 2 239.323 0.694 20 0 BCADLO [NH3+]Cc1noc(CCCCc2cn[nH]n2)n1 ZINC000563118401 323093817 /nfs/dbraw/zinc/09/38/17/323093817.db2.gz WEVADVQXKLRGRK-UHFFFAOYSA-N 1 2 222.252 0.212 20 0 BCADLO c1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)n[nH]1 ZINC000563158229 323096612 /nfs/dbraw/zinc/09/66/12/323096612.db2.gz OEGXQPPQWWSMQY-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)n[nH]1 ZINC000563158229 323096613 /nfs/dbraw/zinc/09/66/13/323096613.db2.gz OEGXQPPQWWSMQY-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO C[C@@H](CC(=O)NCC(=O)C1CC1)n1cc[nH+]c1 ZINC000563252678 323106818 /nfs/dbraw/zinc/10/68/18/323106818.db2.gz IVYACUKWAPWGAL-VIFPVBQESA-N 1 2 235.287 0.930 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000534311599 323116198 /nfs/dbraw/zinc/11/61/98/323116198.db2.gz JDAKEEMNUWNUGR-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000534311599 323116199 /nfs/dbraw/zinc/11/61/99/323116199.db2.gz JDAKEEMNUWNUGR-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)[C@@]1([NH2+]C[C@@H]2CCCOC2)CCOC1 ZINC000534315039 323116296 /nfs/dbraw/zinc/11/62/96/323116296.db2.gz AOEYSBAGOISEHP-CMPLNLGQSA-N 1 2 243.303 0.335 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCO2)CCO1 ZINC000534390699 323118223 /nfs/dbraw/zinc/11/82/23/323118223.db2.gz JYHAZKXDJWSIQQ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCO2)CCO1 ZINC000534390699 323118224 /nfs/dbraw/zinc/11/82/24/323118224.db2.gz JYHAZKXDJWSIQQ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCO2)CCO1 ZINC000534390698 323118228 /nfs/dbraw/zinc/11/82/28/323118228.db2.gz JYHAZKXDJWSIQQ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCO2)CCO1 ZINC000534390698 323118229 /nfs/dbraw/zinc/11/82/29/323118229.db2.gz JYHAZKXDJWSIQQ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](CC(=O)NCCc1cn[nH]c1)n1cc[nH+]c1 ZINC000563332558 323119390 /nfs/dbraw/zinc/11/93/90/323119390.db2.gz BQYFFTZRQSQUQT-JTQLQIEISA-N 1 2 247.302 0.916 20 0 BCADLO O=C1C[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C(=O)N1 ZINC000563349030 323119918 /nfs/dbraw/zinc/11/99/18/323119918.db2.gz NMMPXODPMIRABC-ZETCQYMHSA-N 1 2 248.204 0.596 20 0 BCADLO O=C1C[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)C(=O)N1 ZINC000563349030 323119919 /nfs/dbraw/zinc/11/99/19/323119919.db2.gz NMMPXODPMIRABC-ZETCQYMHSA-N 1 2 248.204 0.596 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563372113 323121704 /nfs/dbraw/zinc/12/17/04/323121704.db2.gz VJIHOBYMQKJYGV-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563372113 323121705 /nfs/dbraw/zinc/12/17/05/323121705.db2.gz VJIHOBYMQKJYGV-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563371098 323121778 /nfs/dbraw/zinc/12/17/78/323121778.db2.gz JOWVCSNFOHKEHU-SECBINFHSA-N 1 2 214.309 0.215 20 0 BCADLO CC(=O)c1cc(C[N@@H+](C)C2CC(O)C2)on1 ZINC000565167381 323128005 /nfs/dbraw/zinc/12/80/05/323128005.db2.gz XBWRPSVZUHPQLW-UHFFFAOYSA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@H+](C)C2CC(O)C2)on1 ZINC000565167381 323128006 /nfs/dbraw/zinc/12/80/06/323128006.db2.gz XBWRPSVZUHPQLW-UHFFFAOYSA-N 1 2 224.260 0.832 20 0 BCADLO Cc1cc[nH+]c(N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000563538918 323130067 /nfs/dbraw/zinc/13/00/67/323130067.db2.gz LDCJWEAZOVYPEZ-LLVKDONJSA-N 1 2 249.314 0.843 20 0 BCADLO Cc1cc[nH+]c(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000563538918 323130068 /nfs/dbraw/zinc/13/00/68/323130068.db2.gz LDCJWEAZOVYPEZ-LLVKDONJSA-N 1 2 249.314 0.843 20 0 BCADLO Cn1cnnc1C[N@H+](CCO)CC1CC1 ZINC000563554321 323130176 /nfs/dbraw/zinc/13/01/76/323130176.db2.gz KGFUOHKYIKEGKN-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000310342105 323130838 /nfs/dbraw/zinc/13/08/38/323130838.db2.gz FBAFSVIORAGKRA-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCn2nncc2C1 ZINC000563635762 323133088 /nfs/dbraw/zinc/13/30/88/323133088.db2.gz LMIGLRKOWKQLEG-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCn2nncc2C1 ZINC000563635762 323133089 /nfs/dbraw/zinc/13/30/89/323133089.db2.gz LMIGLRKOWKQLEG-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000152208930 323133353 /nfs/dbraw/zinc/13/33/53/323133353.db2.gz LDEZTJUOLPRNJZ-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000571078200 323134847 /nfs/dbraw/zinc/13/48/47/323134847.db2.gz IUALTMKAIJMHEG-CBAPKCEASA-N 1 2 243.332 0.542 20 0 BCADLO CO[C@H](C)c1nc(C[NH2+]C(CO)CO)cs1 ZINC000571104998 323135535 /nfs/dbraw/zinc/13/55/35/323135535.db2.gz ZSVLHNURZHRJHP-SSDOTTSWSA-N 1 2 246.332 0.293 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccn(C)n1 ZINC000571158838 323136887 /nfs/dbraw/zinc/13/68/87/323136887.db2.gz XVDZZZMJWVOWTI-XPUUQOCRSA-N 1 2 237.225 0.994 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000571388988 323143454 /nfs/dbraw/zinc/14/34/54/323143454.db2.gz ZXJAPHXANAEWDW-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO C=Cn1cc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000571388988 323143455 /nfs/dbraw/zinc/14/34/55/323143455.db2.gz ZXJAPHXANAEWDW-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C[C@H]1C ZINC000571415608 323144266 /nfs/dbraw/zinc/14/42/66/323144266.db2.gz BXEBMJGRBFMCDW-FXPVBKGRSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)C[C@H]1C ZINC000571415608 323144267 /nfs/dbraw/zinc/14/42/67/323144267.db2.gz BXEBMJGRBFMCDW-FXPVBKGRSA-N 1 2 237.303 0.570 20 0 BCADLO Cn1nccc1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571455450 323145314 /nfs/dbraw/zinc/14/53/14/323145314.db2.gz SZQQXKISSHQCJP-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111694698 323162898 /nfs/dbraw/zinc/16/28/98/323162898.db2.gz RDJAXEWXUIUTLV-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111694698 323162899 /nfs/dbraw/zinc/16/28/99/323162899.db2.gz RDJAXEWXUIUTLV-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCO2)CCO1 ZINC000535007705 323163179 /nfs/dbraw/zinc/16/31/79/323163179.db2.gz JYHAZKXDJWSIQQ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCO2)CCO1 ZINC000535007705 323163180 /nfs/dbraw/zinc/16/31/80/323163180.db2.gz JYHAZKXDJWSIQQ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCC(=O)N(C)C)C1CC1 ZINC000535051068 323164577 /nfs/dbraw/zinc/16/45/77/323164577.db2.gz XLLOWFIVQXIPOH-LBPRGKRZSA-N 1 2 242.319 0.396 20 0 BCADLO O=C(NCCCF)c1ccc(-n2cc[nH+]c2)nn1 ZINC000532014598 323167330 /nfs/dbraw/zinc/16/73/30/323167330.db2.gz ZWJKDFFNDBOWGQ-UHFFFAOYSA-N 1 2 249.249 0.752 20 0 BCADLO NC(=O)C1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000152408625 323180939 /nfs/dbraw/zinc/18/09/39/323180939.db2.gz CURXCEKPVOVAQH-UHFFFAOYSA-N 1 2 231.255 0.935 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)CSC)C(C)C ZINC000308959435 323182458 /nfs/dbraw/zinc/18/24/58/323182458.db2.gz RNYKLGCLUHLKQJ-IUCAKERBSA-N 1 2 235.349 0.498 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CSC)C(C)C ZINC000308959433 323182484 /nfs/dbraw/zinc/18/24/84/323182484.db2.gz RNYKLGCLUHLKQJ-BDAKNGLRSA-N 1 2 235.349 0.498 20 0 BCADLO CCc1nc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)no1 ZINC000190905684 323184324 /nfs/dbraw/zinc/18/43/24/323184324.db2.gz NJNUOKLZXLKEOC-IUCAKERBSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1nc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)no1 ZINC000190905684 323184325 /nfs/dbraw/zinc/18/43/25/323184325.db2.gz NJNUOKLZXLKEOC-IUCAKERBSA-N 1 2 243.307 0.196 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21NC(=O)CCn1cc[nH+]c1 ZINC000529788958 323188591 /nfs/dbraw/zinc/18/85/91/323188591.db2.gz ZBPBBSKEMNDYRO-MFKMUULPSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1cc(NC(=O)NCCC(N)=O)c(C)c[nH+]1 ZINC000536621146 323198865 /nfs/dbraw/zinc/19/88/65/323198865.db2.gz AQIDFBTYURHVPR-UHFFFAOYSA-N 1 2 236.275 0.117 20 0 BCADLO O=C(NCC1COC1)c1ccc2[nH+]ccn2c1 ZINC000530116468 323199045 /nfs/dbraw/zinc/19/90/45/323199045.db2.gz QEKIEIHLRPQVIO-UHFFFAOYSA-N 1 2 231.255 0.711 20 0 BCADLO COCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000054171095 323203304 /nfs/dbraw/zinc/20/33/04/323203304.db2.gz OLJIDLGSJWGTFE-UHFFFAOYSA-N 1 2 226.242 0.813 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000029636981 323231432 /nfs/dbraw/zinc/23/14/32/323231432.db2.gz QKPOSIBBFDVHSZ-UHFFFAOYSA-N 1 2 247.342 0.863 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)Nc1ccncc1 ZINC000532650391 323286400 /nfs/dbraw/zinc/28/64/00/323286400.db2.gz AUOYXKMQZSDBAP-UHFFFAOYSA-N 1 2 235.287 0.164 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)Nc1ccncc1 ZINC000532650391 323286404 /nfs/dbraw/zinc/28/64/04/323286404.db2.gz AUOYXKMQZSDBAP-UHFFFAOYSA-N 1 2 235.287 0.164 20 0 BCADLO CCc1cnc(C[N@H+](C)CC(C)(CO)CO)o1 ZINC000532746405 323294143 /nfs/dbraw/zinc/29/41/43/323294143.db2.gz ZCNJZPDHNQCYMV-UHFFFAOYSA-N 1 2 242.319 0.660 20 0 BCADLO CCc1cnc(C[N@@H+](C)CC(C)(CO)CO)o1 ZINC000532746405 323294147 /nfs/dbraw/zinc/29/41/47/323294147.db2.gz ZCNJZPDHNQCYMV-UHFFFAOYSA-N 1 2 242.319 0.660 20 0 BCADLO CCNC(=O)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000526969684 323309152 /nfs/dbraw/zinc/30/91/52/323309152.db2.gz OUFOZPRJPYXSAW-UHFFFAOYSA-N 1 2 243.326 0.242 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCCC(=O)OC ZINC000152475637 323339958 /nfs/dbraw/zinc/33/99/58/323339958.db2.gz JDVWCFNDYLJNAR-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCCC(=O)OC ZINC000152475637 323339960 /nfs/dbraw/zinc/33/99/60/323339960.db2.gz JDVWCFNDYLJNAR-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)CO ZINC000572012252 323523630 /nfs/dbraw/zinc/52/36/30/323523630.db2.gz MRMVOSRUAZWRQU-UHFFFAOYSA-N 1 2 211.265 0.055 20 0 BCADLO CCc1nc(C[NH2+][C@](C)(CCO)COC)no1 ZINC000079920517 323771259 /nfs/dbraw/zinc/77/12/59/323771259.db2.gz XUHQORPVERSIGH-LLVKDONJSA-N 1 2 243.307 0.509 20 0 BCADLO C[C@H](NC(=O)N[C@H]1C[C@@H](O)C1)c1[nH+]ccn1C ZINC000667248404 487961914 /nfs/dbraw/zinc/96/19/14/487961914.db2.gz XZELQCLLGQNAHM-XHNCKOQMSA-N 1 2 238.291 0.304 20 0 BCADLO C[C@@H](NC(=O)N(C)[C@@H](C)CO)c1[nH+]ccn1C ZINC000667250834 487961990 /nfs/dbraw/zinc/96/19/90/487961990.db2.gz XQNBKQHFXRBCSJ-DTWKUNHWSA-N 1 2 240.307 0.503 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000122655848 324052749 /nfs/dbraw/zinc/05/27/49/324052749.db2.gz AUIZVSQXBZNYON-BDAKNGLRSA-N 1 2 201.266 0.564 20 0 BCADLO CN1CCC[C@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000537606492 324085988 /nfs/dbraw/zinc/08/59/88/324085988.db2.gz IOMNJKQFKPWIHD-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO CN1CCC[C@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000537606492 324085989 /nfs/dbraw/zinc/08/59/89/324085989.db2.gz IOMNJKQFKPWIHD-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000514765757 324111952 /nfs/dbraw/zinc/11/19/52/324111952.db2.gz NKLZJSMZBHIWLA-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000514765757 324111954 /nfs/dbraw/zinc/11/19/54/324111954.db2.gz NKLZJSMZBHIWLA-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000225273780 324197241 /nfs/dbraw/zinc/19/72/41/324197241.db2.gz YQFYZTJLHVSWOC-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000225273780 324197247 /nfs/dbraw/zinc/19/72/47/324197247.db2.gz YQFYZTJLHVSWOC-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1NC(=O)c1cccnn1 ZINC000529466013 324306531 /nfs/dbraw/zinc/30/65/31/324306531.db2.gz BPQIXYXEONMGRR-PSASIEDQSA-N 1 2 243.270 0.496 20 0 BCADLO CCn1ncc(CNC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000529580603 324349513 /nfs/dbraw/zinc/34/95/13/324349513.db2.gz BHHUGBTXNFKKSB-UHFFFAOYSA-N 1 2 248.290 0.188 20 0 BCADLO CCn1ncc(CNC(=O)Cc2[nH+]c[nH]c2C)n1 ZINC000529580603 324349517 /nfs/dbraw/zinc/34/95/17/324349517.db2.gz BHHUGBTXNFKKSB-UHFFFAOYSA-N 1 2 248.290 0.188 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000529611430 324363897 /nfs/dbraw/zinc/36/38/97/324363897.db2.gz KXXLWURUPKMRCT-GFCCVEGCSA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000529611430 324363901 /nfs/dbraw/zinc/36/39/01/324363901.db2.gz KXXLWURUPKMRCT-GFCCVEGCSA-N 1 2 237.278 0.931 20 0 BCADLO Cc1c(NC(=O)N(C)Cc2c[nH+]c[nH]2)nnn1C ZINC000667256927 487963178 /nfs/dbraw/zinc/96/31/78/487963178.db2.gz XTXJIASXAHDFPV-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BCADLO Cc1c(NC(=O)N(C)Cc2c[nH]c[nH+]2)nnn1C ZINC000667256927 487963183 /nfs/dbraw/zinc/96/31/83/487963183.db2.gz XTXJIASXAHDFPV-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BCADLO O=C(c1nncs1)N1CC[NH+](C2CC2)CC1 ZINC000530183701 324515808 /nfs/dbraw/zinc/51/58/08/324515808.db2.gz CWWUJYVAUUGONF-UHFFFAOYSA-N 1 2 238.316 0.458 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)C1 ZINC000564224751 324872788 /nfs/dbraw/zinc/87/27/88/324872788.db2.gz ONHPUYOKESEUQS-NXEZZACHSA-N 1 2 240.347 0.604 20 0 BCADLO c1cn(C2CN(c3nccn4cnnc34)C2)c[nH+]1 ZINC000540036333 324882818 /nfs/dbraw/zinc/88/28/18/324882818.db2.gz VRYMUSXHEDRTEK-UHFFFAOYSA-N 1 2 241.258 0.382 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccnn1C ZINC000070980474 325048609 /nfs/dbraw/zinc/04/86/09/325048609.db2.gz PWXNPTGNCYEIIC-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1csnn1 ZINC000130728005 325082220 /nfs/dbraw/zinc/08/22/20/325082220.db2.gz QYFRNQQEJFDSTC-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO CCNC(=O)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000130804063 325090446 /nfs/dbraw/zinc/09/04/46/325090446.db2.gz GJGKAWAPCMGVOR-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO CCNC(=O)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000130804063 325090449 /nfs/dbraw/zinc/09/04/49/325090449.db2.gz GJGKAWAPCMGVOR-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1nc[nH]n1 ZINC000543705993 325102678 /nfs/dbraw/zinc/10/26/78/325102678.db2.gz PIVYVDNTPMHLEG-MRVPVSSYSA-N 1 2 249.278 0.062 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1nnc[nH]1 ZINC000543705993 325102679 /nfs/dbraw/zinc/10/26/79/325102679.db2.gz PIVYVDNTPMHLEG-MRVPVSSYSA-N 1 2 249.278 0.062 20 0 BCADLO Cc1ocnc1C(=O)NCCc1c[nH+]cn1C ZINC000544404399 325141700 /nfs/dbraw/zinc/14/17/00/325141700.db2.gz MZCFJUKZEAXJRB-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131817484 325185455 /nfs/dbraw/zinc/18/54/55/325185455.db2.gz RVAUQAFQDLRDMP-DGCLKSJQSA-N 1 2 240.347 0.871 20 0 BCADLO Cc1oncc1C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000132024129 325195533 /nfs/dbraw/zinc/19/55/33/325195533.db2.gz VUMCYPHUDFFLNH-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000132024129 325195535 /nfs/dbraw/zinc/19/55/35/325195535.db2.gz VUMCYPHUDFFLNH-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599012 325205770 /nfs/dbraw/zinc/20/57/70/325205770.db2.gz KCVHXYRNZQGLEF-MNOVXSKESA-N 1 2 227.352 0.537 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COCCO2)cc[nH+]1 ZINC000073898039 325216679 /nfs/dbraw/zinc/21/66/79/325216679.db2.gz CPXCBFUWBMHDRJ-SNVBAGLBSA-N 1 2 222.244 0.744 20 0 BCADLO c1cncc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000546022219 325259086 /nfs/dbraw/zinc/25/90/86/325259086.db2.gz IUQSWYLWXVPBSH-UHFFFAOYSA-N 1 2 244.302 0.768 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@]2(C)CO)no1 ZINC000546103448 325265704 /nfs/dbraw/zinc/26/57/04/325265704.db2.gz BBZZFTTUAKRIBB-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@]2(C)CO)no1 ZINC000546103448 325265708 /nfs/dbraw/zinc/26/57/08/325265708.db2.gz BBZZFTTUAKRIBB-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cn1cc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000076063445 325328518 /nfs/dbraw/zinc/32/85/18/325328518.db2.gz NAYBBJSSMOFBSM-UHFFFAOYSA-N 1 2 234.263 0.438 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1ccncc1C#N ZINC000547501940 325365145 /nfs/dbraw/zinc/36/51/45/325365145.db2.gz JQFTZYODYZPNAB-LLVKDONJSA-N 1 2 246.314 0.508 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1ccncc1C#N ZINC000547501940 325365147 /nfs/dbraw/zinc/36/51/47/325365147.db2.gz JQFTZYODYZPNAB-LLVKDONJSA-N 1 2 246.314 0.508 20 0 BCADLO Cc1cccc(CNC(=O)Cc2c[nH+]cn2C)n1 ZINC000547539347 325371246 /nfs/dbraw/zinc/37/12/46/325371246.db2.gz PLUAGGGEFREDSF-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539727 325371544 /nfs/dbraw/zinc/37/15/44/325371544.db2.gz UIYZCKOPUMALQR-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)Cn1cccn1 ZINC000134843901 325378610 /nfs/dbraw/zinc/37/86/10/325378610.db2.gz LGKCSMZHKSUBCX-MRVPVSSYSA-N 1 2 248.290 0.765 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)Cn1cccn1 ZINC000134843901 325378611 /nfs/dbraw/zinc/37/86/11/325378611.db2.gz LGKCSMZHKSUBCX-MRVPVSSYSA-N 1 2 248.290 0.765 20 0 BCADLO CNC(=O)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000564329925 325391583 /nfs/dbraw/zinc/39/15/83/325391583.db2.gz FYYQLBNYKKPFNI-UHFFFAOYSA-N 1 2 244.298 0.912 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C[C@H]1CCCO1 ZINC000547804795 325400808 /nfs/dbraw/zinc/40/08/08/325400808.db2.gz AOMHSTFSVQFIBQ-LLVKDONJSA-N 1 2 237.303 0.648 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cnc[nH]1 ZINC000547805141 325400960 /nfs/dbraw/zinc/40/09/60/325400960.db2.gz IISTWCOSPFPGDJ-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000631236381 487967555 /nfs/dbraw/zinc/96/75/55/487967555.db2.gz NVMMAYSCTYACCD-RNJXMRFFSA-N 1 2 237.307 0.764 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)O[C@@H](C)[C@H]2C)[nH+]1 ZINC000631236381 487967559 /nfs/dbraw/zinc/96/75/59/487967559.db2.gz NVMMAYSCTYACCD-RNJXMRFFSA-N 1 2 237.307 0.764 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cnccn1 ZINC000548310709 325446910 /nfs/dbraw/zinc/44/69/10/325446910.db2.gz AJGWUKXJLDECKI-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548519651 325466067 /nfs/dbraw/zinc/46/60/67/325466067.db2.gz UILNVOOOVALCSK-JTQLQIEISA-N 1 2 225.292 0.096 20 0 BCADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000682461317 487967884 /nfs/dbraw/zinc/96/78/84/487967884.db2.gz ONIUQCLCSPEZHA-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000682461317 487967888 /nfs/dbraw/zinc/96/78/88/487967888.db2.gz ONIUQCLCSPEZHA-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CCO[C@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000548873389 325490514 /nfs/dbraw/zinc/49/05/14/325490514.db2.gz MGJPOTTTXXZDQY-IUCAKERBSA-N 1 2 233.275 0.953 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](OC(F)F)C1 ZINC000549209056 325498624 /nfs/dbraw/zinc/49/86/24/325498624.db2.gz GLKVSXXTFCECJV-QMMMGPOBSA-N 1 2 245.229 0.723 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@@](C)(CO)C2)nc(N)[nH+]1 ZINC000631371700 487968300 /nfs/dbraw/zinc/96/83/00/487968300.db2.gz CZQNWTIEORJGNA-RDDDGLTNSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)[C@@](C)(CO)C2)[nH+]1 ZINC000631371700 487968306 /nfs/dbraw/zinc/96/83/06/487968306.db2.gz CZQNWTIEORJGNA-RDDDGLTNSA-N 1 2 237.307 0.217 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cn[nH]c1 ZINC000550907822 325543133 /nfs/dbraw/zinc/54/31/33/325543133.db2.gz BYTARDOYDSDNLV-MRVPVSSYSA-N 1 2 247.306 0.657 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552932411 325669945 /nfs/dbraw/zinc/66/99/45/325669945.db2.gz ZTDFYDPYSIFZCN-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000251898645 325683341 /nfs/dbraw/zinc/68/33/41/325683341.db2.gz QUXYUNVSGAIJIE-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccc2nncn2c1 ZINC000554299585 325712641 /nfs/dbraw/zinc/71/26/41/325712641.db2.gz GALXUSTWHZSJLD-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BCADLO Cc1cc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nc[nH+]1 ZINC000682474199 487969289 /nfs/dbraw/zinc/96/92/89/487969289.db2.gz WANOBKYQJHKOOS-JBLDHEPKSA-N 1 2 246.314 0.875 20 0 BCADLO COC[C@H]([NH2+]Cc1nnn(C)n1)C1CCCC1 ZINC000555584105 325763434 /nfs/dbraw/zinc/76/34/34/325763434.db2.gz JQPOHTANAWXZDJ-JTQLQIEISA-N 1 2 239.323 0.505 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC000565031761 325848621 /nfs/dbraw/zinc/84/86/21/325848621.db2.gz VOTSGEOAKUIADS-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC000565031762 325848642 /nfs/dbraw/zinc/84/86/42/325848642.db2.gz VOTSGEOAKUIADS-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO O=C(Cn1ccnc1)NCCCn1cc[nH+]c1 ZINC000565573002 325928677 /nfs/dbraw/zinc/92/86/77/325928677.db2.gz OLCCNHTUPUNVFD-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCSC2)C1 ZINC000565608935 325933545 /nfs/dbraw/zinc/93/35/45/325933545.db2.gz RGWRHMWBFFTXPX-SECBINFHSA-N 1 2 228.361 0.950 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CO1 ZINC000566146781 326002614 /nfs/dbraw/zinc/00/26/14/326002614.db2.gz GIFOVZZKBMBBNQ-NXEZZACHSA-N 1 2 238.291 0.360 20 0 BCADLO CC[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000566306548 326031525 /nfs/dbraw/zinc/03/15/25/326031525.db2.gz SDTXGDYOVUCNLS-MRVPVSSYSA-N 1 2 210.281 0.385 20 0 BCADLO C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566337698 326035168 /nfs/dbraw/zinc/03/51/68/326035168.db2.gz RFXPBMNLNDMSDI-DTWKUNHWSA-N 1 2 211.265 0.331 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)ccn1 ZINC000566365552 326038036 /nfs/dbraw/zinc/03/80/36/326038036.db2.gz WTJUHVZWDYLACS-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO C[C@@H](C(=O)Nc1ncn(C)n1)[NH+]1CC(C)C1 ZINC000566460216 326051084 /nfs/dbraw/zinc/05/10/84/326051084.db2.gz IDDNQDYMCHOMSJ-QMMMGPOBSA-N 1 2 223.280 0.094 20 0 BCADLO CC(=O)NCCN(C)c1cc(C)[nH+]cn1 ZINC000566734976 326077979 /nfs/dbraw/zinc/07/79/79/326077979.db2.gz KDUJSKSGFVQBDS-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000567073916 326111540 /nfs/dbraw/zinc/11/15/40/326111540.db2.gz WHDCJJYNSUSVJT-NEPJUHHUSA-N 1 2 249.314 0.743 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)COC(C)C ZINC000153963840 326122868 /nfs/dbraw/zinc/12/28/68/326122868.db2.gz CXBVTHSNKQGGST-JTQLQIEISA-N 1 2 247.335 0.704 20 0 BCADLO C[C@@H](C(=O)NCC(=O)C1CC1)[NH+]1CC(C)C1 ZINC000567288063 326152185 /nfs/dbraw/zinc/15/21/85/326152185.db2.gz DATJXDWFKBMROG-VIFPVBQESA-N 1 2 224.304 0.422 20 0 BCADLO C[C@H]1[C@@H](CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000567359040 326173826 /nfs/dbraw/zinc/17/38/26/326173826.db2.gz GYDKRWIBPUSNHA-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000154941388 326174285 /nfs/dbraw/zinc/17/42/85/326174285.db2.gz HFPRUXRDVHNEEM-JQWIXIFHSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567485606 326202590 /nfs/dbraw/zinc/20/25/90/326202590.db2.gz LNNHFMNPJZDGQV-RKDXNWHRSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567485606 326202592 /nfs/dbraw/zinc/20/25/92/326202592.db2.gz LNNHFMNPJZDGQV-RKDXNWHRSA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)C(=O)OC ZINC000567609916 326228665 /nfs/dbraw/zinc/22/86/65/326228665.db2.gz QIFOTQYIKFINMK-GHMZBOCLSA-N 1 2 245.319 0.723 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ncccc1O ZINC000567793448 326259111 /nfs/dbraw/zinc/25/91/11/326259111.db2.gz RAMVRZRBISGTTL-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ncccc1O ZINC000567793448 326259112 /nfs/dbraw/zinc/25/91/12/326259112.db2.gz RAMVRZRBISGTTL-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1conc1C ZINC000567906039 326280850 /nfs/dbraw/zinc/28/08/50/326280850.db2.gz CNROHGPJSOLSCT-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1conc1C ZINC000567906039 326280849 /nfs/dbraw/zinc/28/08/49/326280849.db2.gz CNROHGPJSOLSCT-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCc1nccs1 ZINC000157820293 326296967 /nfs/dbraw/zinc/29/69/67/326296967.db2.gz FTLPEHPDLYGABF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCc1nccs1 ZINC000157820293 326296968 /nfs/dbraw/zinc/29/69/68/326296968.db2.gz FTLPEHPDLYGABF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC1(C)C ZINC000158035918 326305374 /nfs/dbraw/zinc/30/53/74/326305374.db2.gz ZJRWSGOBIXMEGT-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)CO ZINC000568194505 326324410 /nfs/dbraw/zinc/32/44/10/326324410.db2.gz KKKINRYPKBHZEM-SECBINFHSA-N 1 2 225.292 0.406 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568209283 326326744 /nfs/dbraw/zinc/32/67/44/326326744.db2.gz UAMCMXZKQSZIJA-WYGGZMRJSA-N 1 2 240.347 0.772 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234409 326330956 /nfs/dbraw/zinc/33/09/56/326330956.db2.gz OLTGLPUALJTRQI-JGVFFNPUSA-N 1 2 239.275 0.786 20 0 BCADLO CCNC(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000158604123 326331308 /nfs/dbraw/zinc/33/13/08/326331308.db2.gz GYWDVNOQCYROFR-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO CCNC(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000158604123 326331309 /nfs/dbraw/zinc/33/13/09/326331309.db2.gz GYWDVNOQCYROFR-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000568247897 326334353 /nfs/dbraw/zinc/33/43/53/326334353.db2.gz AFVWDWFBZVJFGL-PSASIEDQSA-N 1 2 234.303 0.651 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccccn1 ZINC000568459418 326357236 /nfs/dbraw/zinc/35/72/36/326357236.db2.gz CEDPOCNNCCHMKQ-UHFFFAOYSA-N 1 2 202.217 0.917 20 0 BCADLO Cc1nnnn1Cc1cn2cccc(C)c2[nH+]1 ZINC000568579201 326365693 /nfs/dbraw/zinc/36/56/93/326365693.db2.gz RBPIWWVLHUIPSS-UHFFFAOYSA-N 1 2 228.259 0.986 20 0 BCADLO CC(C)(C)n1nnnc1COCc1[nH]cc[nH+]1 ZINC000568645080 326370533 /nfs/dbraw/zinc/37/05/33/326370533.db2.gz MHVZGHHEAQKRJN-UHFFFAOYSA-N 1 2 236.279 0.868 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000568752930 326374985 /nfs/dbraw/zinc/37/49/85/326374985.db2.gz VPZGWCGCTDTUQP-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1F ZINC000568926287 326382524 /nfs/dbraw/zinc/38/25/24/326382524.db2.gz STCKRLMHRLRBMZ-VHSXEESVSA-N 1 2 225.267 0.969 20 0 BCADLO CCc1nc(C[NH2+][C@H]2C[C@H](O)C2(C)C)no1 ZINC000569119156 326391430 /nfs/dbraw/zinc/39/14/30/326391430.db2.gz YVDQDVFDTZHOBC-YUMQZZPRSA-N 1 2 225.292 0.881 20 0 BCADLO COCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682513646 487974031 /nfs/dbraw/zinc/97/40/31/487974031.db2.gz PYPQEEGMDDQRAH-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO O[C@H]1CN(CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545936 487984733 /nfs/dbraw/zinc/98/47/33/487984733.db2.gz GUCBMIIDHCODAR-SNVBAGLBSA-N 1 2 245.273 0.975 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000191708787 487985736 /nfs/dbraw/zinc/98/57/36/487985736.db2.gz DLKDUHUZCWEBJE-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000191708787 487985747 /nfs/dbraw/zinc/98/57/47/487985747.db2.gz DLKDUHUZCWEBJE-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO c1coc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000073984345 487987038 /nfs/dbraw/zinc/98/70/38/487987038.db2.gz MSVJCMGMSAVIJK-UHFFFAOYSA-N 1 2 219.248 0.891 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000220555536 487990173 /nfs/dbraw/zinc/99/01/73/487990173.db2.gz QBJNZOSCXCRQEN-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000220555536 487990177 /nfs/dbraw/zinc/99/01/77/487990177.db2.gz QBJNZOSCXCRQEN-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO COCc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000668600320 487990442 /nfs/dbraw/zinc/99/04/42/487990442.db2.gz LZMLAZNQMDXMET-JOYOIKCWSA-N 1 2 238.287 0.778 20 0 BCADLO COCc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000668600320 487990449 /nfs/dbraw/zinc/99/04/49/487990449.db2.gz LZMLAZNQMDXMET-JOYOIKCWSA-N 1 2 238.287 0.778 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnns2)C[C@H]1C ZINC000677177327 487991386 /nfs/dbraw/zinc/99/13/86/487991386.db2.gz MDEGKAOWUWSHGF-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnns2)C[C@H]1C ZINC000677177327 487991392 /nfs/dbraw/zinc/99/13/92/487991392.db2.gz MDEGKAOWUWSHGF-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000134610626 487991454 /nfs/dbraw/zinc/99/14/54/487991454.db2.gz UAKGFOCAFROGPT-QUNWWBBNSA-N 1 2 211.265 0.128 20 0 BCADLO Cc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nn2)n1 ZINC000668605418 487998161 /nfs/dbraw/zinc/99/81/61/487998161.db2.gz NYHWQHDIXYDJOJ-UHFFFAOYSA-N 1 2 247.302 0.856 20 0 BCADLO Cc1ccc(O)c(C[N@H+](C)Cc2cn(C)nn2)n1 ZINC000668605418 487998167 /nfs/dbraw/zinc/99/81/67/487998167.db2.gz NYHWQHDIXYDJOJ-UHFFFAOYSA-N 1 2 247.302 0.856 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000668604879 487998530 /nfs/dbraw/zinc/99/85/30/487998530.db2.gz VQANDJNGPRCTTD-RKDXNWHRSA-N 1 2 223.276 0.841 20 0 BCADLO Cc1ccncc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000668604800 487998612 /nfs/dbraw/zinc/99/86/12/487998612.db2.gz STXVWRYPZHOQCM-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@](C)(COC)C1 ZINC000602917582 488002871 /nfs/dbraw/zinc/00/28/71/488002871.db2.gz NYBZBQFMFVQWHJ-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@](C)(COC)C1 ZINC000602917582 488002878 /nfs/dbraw/zinc/00/28/78/488002878.db2.gz NYBZBQFMFVQWHJ-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC(C)(O)CC1 ZINC000134925967 488005903 /nfs/dbraw/zinc/00/59/03/488005903.db2.gz CXEWDVJDQCJNDA-UHFFFAOYSA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC(C)(O)CC1 ZINC000134925967 488005909 /nfs/dbraw/zinc/00/59/09/488005909.db2.gz CXEWDVJDQCJNDA-UHFFFAOYSA-N 1 2 238.291 0.419 20 0 BCADLO O=C1C[N@H+](CCC[C@H]2CCOC2)CCN1 ZINC000682672327 488009214 /nfs/dbraw/zinc/00/92/14/488009214.db2.gz BCCAESGPSLBCIQ-JTQLQIEISA-N 1 2 212.293 0.235 20 0 BCADLO O=C1C[N@@H+](CCC[C@H]2CCOC2)CCN1 ZINC000682672327 488009219 /nfs/dbraw/zinc/00/92/19/488009219.db2.gz BCCAESGPSLBCIQ-JTQLQIEISA-N 1 2 212.293 0.235 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2cccnc2)C1=O ZINC000682676847 488011850 /nfs/dbraw/zinc/01/18/50/488011850.db2.gz CXWJYCVXEQOCSQ-KOLCDFICSA-N 1 2 235.287 0.895 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC([C@H](C)O)CC2)C1=O ZINC000682676673 488012428 /nfs/dbraw/zinc/01/24/28/488012428.db2.gz BYJSEGLVDULGJB-ONGXEEELSA-N 1 2 242.319 0.242 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000666449895 488015852 /nfs/dbraw/zinc/01/58/52/488015852.db2.gz JPRJHMVBETWGNY-ZNSHCXBVSA-N 1 2 235.287 0.280 20 0 BCADLO OCC[N@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667503172 488031589 /nfs/dbraw/zinc/03/15/89/488031589.db2.gz BKIJNPCOGFBXHG-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO OCC[N@@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667503172 488031595 /nfs/dbraw/zinc/03/15/95/488031595.db2.gz BKIJNPCOGFBXHG-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cc1cc(NC(=O)CCc2cn(C)nn2)cc[nH+]1 ZINC000668636129 488035061 /nfs/dbraw/zinc/03/50/61/488035061.db2.gz RDNNKNXUJQIFSO-UHFFFAOYSA-N 1 2 245.286 0.512 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667510847 488035246 /nfs/dbraw/zinc/03/52/46/488035246.db2.gz VNJFWQOLKUJCII-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667510847 488035252 /nfs/dbraw/zinc/03/52/52/488035252.db2.gz VNJFWQOLKUJCII-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO COC[C@H](OC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000668637876 488036623 /nfs/dbraw/zinc/03/66/23/488036623.db2.gz VLRYLBSYNZOEAD-JTQLQIEISA-N 1 2 249.270 0.934 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000682790672 488039211 /nfs/dbraw/zinc/03/92/11/488039211.db2.gz JVMRZUZKMCQDFU-UHFFFAOYSA-N 1 2 232.287 0.870 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000682790672 488039216 /nfs/dbraw/zinc/03/92/16/488039216.db2.gz JVMRZUZKMCQDFU-UHFFFAOYSA-N 1 2 232.287 0.870 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000682790672 488039219 /nfs/dbraw/zinc/03/92/19/488039219.db2.gz JVMRZUZKMCQDFU-UHFFFAOYSA-N 1 2 232.287 0.870 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000682790672 488039221 /nfs/dbraw/zinc/03/92/21/488039221.db2.gz JVMRZUZKMCQDFU-UHFFFAOYSA-N 1 2 232.287 0.870 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1=O ZINC000670325554 488049632 /nfs/dbraw/zinc/04/96/32/488049632.db2.gz PIUKBWHTZPEDEN-VXNVDRBHSA-N 1 2 238.291 0.649 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@H](C(N)=O)C1 ZINC000656119540 488050409 /nfs/dbraw/zinc/05/04/09/488050409.db2.gz RVIJPSKERNZVGL-QMMMGPOBSA-N 1 2 236.275 0.105 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000365310438 488064479 /nfs/dbraw/zinc/06/44/79/488064479.db2.gz GFWLGSZHDVBLDG-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000365310438 488064480 /nfs/dbraw/zinc/06/44/80/488064480.db2.gz GFWLGSZHDVBLDG-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682491500 488071443 /nfs/dbraw/zinc/07/14/43/488071443.db2.gz HBPNDBJBPOWQOQ-VHSXEESVSA-N 1 2 223.276 0.427 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000667649612 488073402 /nfs/dbraw/zinc/07/34/02/488073402.db2.gz YPUJMYWZRHQXHX-DTORHVGOSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000667649612 488073406 /nfs/dbraw/zinc/07/34/06/488073406.db2.gz YPUJMYWZRHQXHX-DTORHVGOSA-N 1 2 247.216 0.641 20 0 BCADLO CCc1cc(N[C@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000677420545 488087176 /nfs/dbraw/zinc/08/71/76/488087176.db2.gz KNRPOPCDBOJNPS-LLVKDONJSA-N 1 2 247.302 0.918 20 0 BCADLO CCn1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000667691684 488089067 /nfs/dbraw/zinc/08/90/67/488089067.db2.gz JRURPBZLIYAHIN-UHFFFAOYSA-N 1 2 248.290 0.921 20 0 BCADLO O=C(Nc1cncnc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682531662 488096026 /nfs/dbraw/zinc/09/60/26/488096026.db2.gz SCXKYNKYSBRJRQ-VIFPVBQESA-N 1 2 243.270 0.874 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000682531557 488096042 /nfs/dbraw/zinc/09/60/42/488096042.db2.gz OHIYVHMFYVBACH-RQJHMYQMSA-N 1 2 231.250 0.858 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000682531557 488096047 /nfs/dbraw/zinc/09/60/47/488096047.db2.gz OHIYVHMFYVBACH-RQJHMYQMSA-N 1 2 231.250 0.858 20 0 BCADLO NC(=O)N[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000667711478 488097646 /nfs/dbraw/zinc/09/76/46/488097646.db2.gz HISXUUHEFHFKKV-SECBINFHSA-N 1 2 249.318 0.072 20 0 BCADLO COCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672153659 487536391 /nfs/dbraw/zinc/53/63/91/487536391.db2.gz AAXRGBVSBMYFQT-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](CC)OC ZINC000397005038 487536981 /nfs/dbraw/zinc/53/69/81/487536981.db2.gz KEKPYCKOLDHJMV-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](CC)OC ZINC000397005038 487536984 /nfs/dbraw/zinc/53/69/84/487536984.db2.gz KEKPYCKOLDHJMV-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@H](O)C1CC1 ZINC000668687879 488116243 /nfs/dbraw/zinc/11/62/43/488116243.db2.gz HOAYXHIWURBSEK-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO CNC(=O)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000677742214 488117241 /nfs/dbraw/zinc/11/72/41/488117241.db2.gz XJQWNOANNPJUIX-UHFFFAOYSA-N 1 2 247.258 0.202 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)nn1 ZINC000677762576 488119269 /nfs/dbraw/zinc/11/92/69/488119269.db2.gz NDJQRQZREBTCHY-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)nn1 ZINC000677762576 488119271 /nfs/dbraw/zinc/11/92/71/488119271.db2.gz NDJQRQZREBTCHY-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO C[C@@H](C(=O)N(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000677801543 488124753 /nfs/dbraw/zinc/12/47/53/488124753.db2.gz DLMZXYZNVWRDEL-QMMMGPOBSA-N 1 2 210.281 0.318 20 0 BCADLO CN(CC(=O)NC1CCCC1)Cc1[nH]cc[nH+]1 ZINC000677802278 488125846 /nfs/dbraw/zinc/12/58/46/488125846.db2.gz OLFHIAVLXMWGLC-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO C1COC[C@@H]([N@@H+]2CCc3nn[nH]c3C2)C1 ZINC000683222393 488132064 /nfs/dbraw/zinc/13/20/64/488132064.db2.gz CMXZFEBDGITCCX-QMMMGPOBSA-N 1 2 208.265 0.342 20 0 BCADLO C1COC[C@@H]([N@H+]2CCc3nn[nH]c3C2)C1 ZINC000683222393 488132069 /nfs/dbraw/zinc/13/20/69/488132069.db2.gz CMXZFEBDGITCCX-QMMMGPOBSA-N 1 2 208.265 0.342 20 0 BCADLO Nc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000168750864 487539314 /nfs/dbraw/zinc/53/93/14/487539314.db2.gz XYMNTAKFZOFFQH-LLVKDONJSA-N 1 2 246.314 0.470 20 0 BCADLO Nc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000168750864 487539321 /nfs/dbraw/zinc/53/93/21/487539321.db2.gz XYMNTAKFZOFFQH-LLVKDONJSA-N 1 2 246.314 0.470 20 0 BCADLO Cn1cccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668792162 487544909 /nfs/dbraw/zinc/54/49/09/487544909.db2.gz NYYUFPYNRVBSJF-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668792162 487544918 /nfs/dbraw/zinc/54/49/18/487544918.db2.gz NYYUFPYNRVBSJF-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CCn1nccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668791718 487545892 /nfs/dbraw/zinc/54/58/92/487545892.db2.gz XDQOFOGIBBOBSN-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1nccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668791718 487545896 /nfs/dbraw/zinc/54/58/96/487545896.db2.gz XDQOFOGIBBOBSN-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1(CO)CC1 ZINC000169017965 487555077 /nfs/dbraw/zinc/55/50/77/487555077.db2.gz SXQVFJVDMXAZKK-UHFFFAOYSA-N 1 2 224.264 0.252 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1(CO)CC1 ZINC000169017965 487555083 /nfs/dbraw/zinc/55/50/83/487555083.db2.gz SXQVFJVDMXAZKK-UHFFFAOYSA-N 1 2 224.264 0.252 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000685574887 487555155 /nfs/dbraw/zinc/55/51/55/487555155.db2.gz NLUCHAPCQUPNTG-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000685574887 487555158 /nfs/dbraw/zinc/55/51/58/487555158.db2.gz NLUCHAPCQUPNTG-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000685574884 487555166 /nfs/dbraw/zinc/55/51/66/487555166.db2.gz NLUCHAPCQUPNTG-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000685574884 487555168 /nfs/dbraw/zinc/55/51/68/487555168.db2.gz NLUCHAPCQUPNTG-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)nn1C ZINC000680072728 487532525 /nfs/dbraw/zinc/53/25/25/487532525.db2.gz SGRSKCFGUBBWSI-NSHDSACASA-N 1 2 241.360 0.638 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@@H]2CO)nn1C ZINC000680072728 487532528 /nfs/dbraw/zinc/53/25/28/487532528.db2.gz SGRSKCFGUBBWSI-NSHDSACASA-N 1 2 241.360 0.638 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000680075115 487533061 /nfs/dbraw/zinc/53/30/61/487533061.db2.gz XXIPLCUBUGWIAY-HTQZYQBOSA-N 1 2 227.333 0.913 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000680075115 487533067 /nfs/dbraw/zinc/53/30/67/487533067.db2.gz XXIPLCUBUGWIAY-HTQZYQBOSA-N 1 2 227.333 0.913 20 0 BCADLO CNC(=O)CN(C)Cc1c[nH+]cn1C(C)C ZINC000668788178 487533666 /nfs/dbraw/zinc/53/36/66/487533666.db2.gz LCFSYXUHYRVTFS-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO C[N@H+](CC(=O)NC1CCCC1)Cc1cn[nH]c1 ZINC000673927901 487482024 /nfs/dbraw/zinc/48/20/24/487482024.db2.gz QICWRTMHVWQIOG-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO C[N@@H+](CC(=O)NC1CCCC1)Cc1cn[nH]c1 ZINC000673927901 487482026 /nfs/dbraw/zinc/48/20/26/487482026.db2.gz QICWRTMHVWQIOG-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnco1)CC2 ZINC000679907594 487484348 /nfs/dbraw/zinc/48/43/48/487484348.db2.gz KXCQSDGWDNDUJM-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO O=C(CCN1CCCC1=O)Nc1cc[nH+]cc1O ZINC000673916667 487478142 /nfs/dbraw/zinc/47/81/42/487478142.db2.gz LVBNYFSNUCMYMO-UHFFFAOYSA-N 1 2 249.270 0.160 20 0 BCADLO Cn1cc(CCC(=O)Nc2ccc(N)[nH+]c2)nn1 ZINC000659294840 487479166 /nfs/dbraw/zinc/47/91/66/487479166.db2.gz OQYVCQZZBQJFLK-UHFFFAOYSA-N 1 2 246.274 0.364 20 0 BCADLO Cc1c[nH]nc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000380808753 487486947 /nfs/dbraw/zinc/48/69/47/487486947.db2.gz JDCNISVSQHGMBG-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1nc[nH]n1 ZINC000673942217 487487408 /nfs/dbraw/zinc/48/74/08/487487408.db2.gz OEIUGTRCKOSDPR-SECBINFHSA-N 1 2 248.290 0.659 20 0 BCADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1nnc[nH]1 ZINC000673942217 487487417 /nfs/dbraw/zinc/48/74/17/487487417.db2.gz OEIUGTRCKOSDPR-SECBINFHSA-N 1 2 248.290 0.659 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000685001305 487489376 /nfs/dbraw/zinc/48/93/76/487489376.db2.gz ZETKYCAPEVYKQM-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000685001305 487489381 /nfs/dbraw/zinc/48/93/81/487489381.db2.gz ZETKYCAPEVYKQM-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2C2CC2)n1 ZINC000685035736 487493416 /nfs/dbraw/zinc/49/34/16/487493416.db2.gz CVHMSCUBPOJGLN-SECBINFHSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H]2C2CC2)n1 ZINC000685035736 487493421 /nfs/dbraw/zinc/49/34/21/487493421.db2.gz CVHMSCUBPOJGLN-SECBINFHSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H]2C2CC2)n1 ZINC000685035737 487493597 /nfs/dbraw/zinc/49/35/97/487493597.db2.gz CVHMSCUBPOJGLN-VIFPVBQESA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H]2C2CC2)n1 ZINC000685035737 487493603 /nfs/dbraw/zinc/49/36/03/487493603.db2.gz CVHMSCUBPOJGLN-VIFPVBQESA-N 1 2 207.281 0.585 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000679932324 487496024 /nfs/dbraw/zinc/49/60/24/487496024.db2.gz ASVPWWSZGMIRMD-YUMQZZPRSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@@H](C)C[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000679932324 487496027 /nfs/dbraw/zinc/49/60/27/487496027.db2.gz ASVPWWSZGMIRMD-YUMQZZPRSA-N 1 2 239.323 0.817 20 0 BCADLO Cn1cc(C[NH2+]Cc2cnc3ccccn23)nn1 ZINC000679933351 487496895 /nfs/dbraw/zinc/49/68/95/487496895.db2.gz MLJUVVNVERABFP-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO C[C@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000673961537 487491717 /nfs/dbraw/zinc/49/17/17/487491717.db2.gz SZHBVLRVAWFMGK-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO Cc1nc(NCC(=O)Nc2ccn(C)n2)cc[nH+]1 ZINC000685262439 487506442 /nfs/dbraw/zinc/50/64/42/487506442.db2.gz INRWLFCVUIKWMP-UHFFFAOYSA-N 1 2 246.274 0.569 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000668233014 487502619 /nfs/dbraw/zinc/50/26/19/487502619.db2.gz KZTFGIKDAKXSDJ-UHFFFAOYSA-N 1 2 248.330 0.471 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1cn(C)nn1 ZINC000679962459 487506016 /nfs/dbraw/zinc/50/60/16/487506016.db2.gz BWQYFKFDOBVGEE-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO COCC1(O)CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000668233991 487509306 /nfs/dbraw/zinc/50/93/06/487509306.db2.gz VXTPBTNTYMONQE-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO NC(=O)C[N@H+](Cc1cocn1)C1CCCC1 ZINC000683350544 488149808 /nfs/dbraw/zinc/14/98/08/488149808.db2.gz LAAQQDSSZFEKFT-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO NC(=O)C[N@@H+](Cc1cocn1)C1CCCC1 ZINC000683350544 488149812 /nfs/dbraw/zinc/14/98/12/488149812.db2.gz LAAQQDSSZFEKFT-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO Cc1cnc(C[N@H+](C)C[C@@H]2COCCO2)o1 ZINC000661604121 487741578 /nfs/dbraw/zinc/74/15/78/487741578.db2.gz JWFPWPILYVZCKK-SNVBAGLBSA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cnc(C[N@@H+](C)C[C@@H]2COCCO2)o1 ZINC000661604121 487741582 /nfs/dbraw/zinc/74/15/82/487741582.db2.gz JWFPWPILYVZCKK-SNVBAGLBSA-N 1 2 226.276 0.830 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000675952574 487795179 /nfs/dbraw/zinc/79/51/79/487795179.db2.gz BBUKKJIEFTYFQL-CMPLNLGQSA-N 1 2 248.330 0.868 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)C(C)(C)O)[nH+]1 ZINC000676078422 487810339 /nfs/dbraw/zinc/81/03/39/487810339.db2.gz OFPBSNINFJLMIH-SSDOTTSWSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@H](C)C(C)(C)O)nc(N(C)C)[nH+]1 ZINC000676078422 487810343 /nfs/dbraw/zinc/81/03/43/487810343.db2.gz OFPBSNINFJLMIH-SSDOTTSWSA-N 1 2 239.323 0.817 20 0 BCADLO COCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000676077479 487810394 /nfs/dbraw/zinc/81/03/94/487810394.db2.gz BREVKBGDXFXYCE-UHFFFAOYSA-N 1 2 225.296 0.329 20 0 BCADLO COCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000676077479 487810396 /nfs/dbraw/zinc/81/03/96/487810396.db2.gz BREVKBGDXFXYCE-UHFFFAOYSA-N 1 2 225.296 0.329 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CO[C@H](C)C1)CC2 ZINC000682233149 487932470 /nfs/dbraw/zinc/93/24/70/487932470.db2.gz YTCMABFAMHUFAJ-MNOVXSKESA-N 1 2 249.314 0.959 20 0 BCADLO Cn1ccc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000677851600 488140663 /nfs/dbraw/zinc/14/06/63/488140663.db2.gz LSELSMVSDRWYQI-UHFFFAOYSA-N 1 2 232.291 0.636 20 0 BCADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000294044429 488141987 /nfs/dbraw/zinc/14/19/87/488141987.db2.gz SXCJTNGIQWKGBS-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C)CO ZINC000294044429 488141992 /nfs/dbraw/zinc/14/19/92/488141992.db2.gz SXCJTNGIQWKGBS-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000670399402 488142403 /nfs/dbraw/zinc/14/24/03/488142403.db2.gz PEISBICWGYDHQC-UHFFFAOYSA-N 1 2 238.291 0.692 20 0 BCADLO Cc1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000672240156 488145353 /nfs/dbraw/zinc/14/53/53/488145353.db2.gz AFAYEEORTIZZFG-SNVBAGLBSA-N 1 2 238.291 0.289 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884242 488147281 /nfs/dbraw/zinc/14/72/81/488147281.db2.gz NGMDNSNTLLVWBD-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884242 488147287 /nfs/dbraw/zinc/14/72/87/488147287.db2.gz NGMDNSNTLLVWBD-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000677921586 488157044 /nfs/dbraw/zinc/15/70/44/488157044.db2.gz LYVDPRAOZZHTSY-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000677921586 488157049 /nfs/dbraw/zinc/15/70/49/488157049.db2.gz LYVDPRAOZZHTSY-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO CCOC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000294776733 488157739 /nfs/dbraw/zinc/15/77/39/488157739.db2.gz JXVBGHMLYJQSOQ-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO CCOC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000294776733 488157744 /nfs/dbraw/zinc/15/77/44/488157744.db2.gz JXVBGHMLYJQSOQ-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000683414390 488159597 /nfs/dbraw/zinc/15/95/97/488159597.db2.gz LGZJCXWIBHTYKX-SECBINFHSA-N 1 2 235.287 0.039 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000677950051 488163469 /nfs/dbraw/zinc/16/34/69/488163469.db2.gz IUKVLXRERVUPCO-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000677950051 488163472 /nfs/dbraw/zinc/16/34/72/488163472.db2.gz IUKVLXRERVUPCO-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO Cn1ncc2c1nc(NCC1(CO)CC1)[nH+]c2N ZINC000683458406 488165935 /nfs/dbraw/zinc/16/59/35/488165935.db2.gz DNZOSUQCCAONDN-UHFFFAOYSA-N 1 2 248.290 0.130 20 0 BCADLO O=C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000683456398 488166218 /nfs/dbraw/zinc/16/62/18/488166218.db2.gz YYTGPBOTXLLNJS-UHFFFAOYSA-N 1 2 243.270 0.832 20 0 BCADLO CCn1cc(CNc2cc[nH+]c(C)n2)nn1 ZINC000404515666 488166712 /nfs/dbraw/zinc/16/67/12/488166712.db2.gz VIDOJVHRQVATAV-UHFFFAOYSA-N 1 2 218.264 0.430 20 0 BCADLO Cc1[nH+]cc(CN2CCn3c(n[nH]c3=O)C2)n1C ZINC000667988005 488177261 /nfs/dbraw/zinc/17/72/61/488177261.db2.gz YGOKCPCSHBRULV-UHFFFAOYSA-N 1 2 248.290 0.041 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1nccs1 ZINC000179066993 488195886 /nfs/dbraw/zinc/19/58/86/488195886.db2.gz LGZFONDRUMTCLS-RQJHMYQMSA-N 1 2 211.290 0.682 20 0 BCADLO CCc1cc(N[C@H](C)CC(=O)NC)nc[nH+]1 ZINC000322876995 488197018 /nfs/dbraw/zinc/19/70/18/488197018.db2.gz SQKWQRHMMBRHBK-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO Cc1cc(NC(=O)NCc2cn[nH]n2)cc[nH+]1 ZINC000678095928 488197713 /nfs/dbraw/zinc/19/77/13/488197713.db2.gz FGYJYPVNWYRFKP-UHFFFAOYSA-N 1 2 232.247 0.252 20 0 BCADLO Cc1cc(NC(=O)NCc2cn[nH]n2)c(C)c[nH+]1 ZINC000678099052 488198307 /nfs/dbraw/zinc/19/83/07/488198307.db2.gz VXNHSSPRBHISBP-UHFFFAOYSA-N 1 2 246.274 0.560 20 0 BCADLO Cc1cc(NC(=O)NCc2c[nH]nn2)c(C)c[nH+]1 ZINC000678099052 488198310 /nfs/dbraw/zinc/19/83/10/488198310.db2.gz VXNHSSPRBHISBP-UHFFFAOYSA-N 1 2 246.274 0.560 20 0 BCADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC000678178240 488213213 /nfs/dbraw/zinc/21/32/13/488213213.db2.gz WXWQSTDIVBOLNI-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO CO[C@H](C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000668194042 488219762 /nfs/dbraw/zinc/21/97/62/488219762.db2.gz YESVJMXUEHIGDP-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO O=C1C[N@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@H]2N1 ZINC000678221152 488220723 /nfs/dbraw/zinc/22/07/23/488220723.db2.gz FABCYHSGDSOXAM-GHMZBOCLSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1C[N@@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@H]2N1 ZINC000678221152 488220726 /nfs/dbraw/zinc/22/07/26/488220726.db2.gz FABCYHSGDSOXAM-GHMZBOCLSA-N 1 2 234.303 0.653 20 0 BCADLO CC(C)(O)CCC(=O)NCCn1cc[nH+]c1 ZINC000683821867 488226371 /nfs/dbraw/zinc/22/63/71/488226371.db2.gz LPYWCQKXJFOFDT-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1cn(C)cn1 ZINC000683897789 488239563 /nfs/dbraw/zinc/23/95/63/488239563.db2.gz CDCSXMAOCPCNLT-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cn(C)cn1 ZINC000683897789 488239564 /nfs/dbraw/zinc/23/95/64/488239564.db2.gz CDCSXMAOCPCNLT-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCCN(CC(=O)N(C)C)Cc1cn(C)c[nH+]1 ZINC000683897789 488239565 /nfs/dbraw/zinc/23/95/65/488239565.db2.gz CDCSXMAOCPCNLT-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnccn1 ZINC000672149216 488240727 /nfs/dbraw/zinc/24/07/27/488240727.db2.gz JDBRFLZRGVISDY-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(C)cn1 ZINC000683899537 488240863 /nfs/dbraw/zinc/24/08/63/488240863.db2.gz ZOJRRYBRHZAOPU-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cn(C)cn1 ZINC000683899537 488240866 /nfs/dbraw/zinc/24/08/66/488240866.db2.gz ZOJRRYBRHZAOPU-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCCN1Cc1cn(C)c[nH+]1 ZINC000683899537 488240868 /nfs/dbraw/zinc/24/08/68/488240868.db2.gz ZOJRRYBRHZAOPU-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148566 488240839 /nfs/dbraw/zinc/24/08/39/488240839.db2.gz RJVRCJJABRCHTN-ONGXEEELSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnc[nH]1 ZINC000672145958 488240847 /nfs/dbraw/zinc/24/08/47/488240847.db2.gz XGIPKBCVXZWSKW-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148565 488240979 /nfs/dbraw/zinc/24/09/79/488240979.db2.gz RJVRCJJABRCHTN-MWLCHTKSSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148405 488241066 /nfs/dbraw/zinc/24/10/66/488241066.db2.gz NJFNMVVQIBZYES-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO Cc1nc(CN(C)Cc2cn(C)c[nH+]2)no1 ZINC000683899348 488241290 /nfs/dbraw/zinc/24/12/90/488241290.db2.gz DPBMJYDYVJEGPU-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683899398 488241309 /nfs/dbraw/zinc/24/13/09/488241309.db2.gz VCUBNUFFJUTWCD-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683899398 488241312 /nfs/dbraw/zinc/24/13/12/488241312.db2.gz VCUBNUFFJUTWCD-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO CCCCN(CC(N)=O)Cc1cn(C)c[nH+]1 ZINC000683899398 488241313 /nfs/dbraw/zinc/24/13/13/488241313.db2.gz VCUBNUFFJUTWCD-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672150931 488241581 /nfs/dbraw/zinc/24/15/81/488241581.db2.gz KABVJWMKRASTTJ-VIFPVBQESA-N 1 2 205.261 0.724 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCCCO1 ZINC000672149181 488241673 /nfs/dbraw/zinc/24/16/73/488241673.db2.gz IKAUCISUCNPIDZ-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC(=O)C1 ZINC000672149257 488241884 /nfs/dbraw/zinc/24/18/84/488241884.db2.gz JXQRHKATRHLVBD-SECBINFHSA-N 1 2 233.271 0.293 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149733 488242028 /nfs/dbraw/zinc/24/20/28/488242028.db2.gz WILLJRVODCVFEC-QXEWZRGKSA-N 1 2 219.288 0.970 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000678334169 488242093 /nfs/dbraw/zinc/24/20/93/488242093.db2.gz LYUVQIBFUKBNJI-UHFFFAOYSA-N 1 2 237.303 0.791 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000678334169 488242097 /nfs/dbraw/zinc/24/20/97/488242097.db2.gz LYUVQIBFUKBNJI-UHFFFAOYSA-N 1 2 237.303 0.791 20 0 BCADLO CC(C)(C(=O)NCC1(CO)CC1)c1c[nH]c[nH+]1 ZINC000683919739 488244752 /nfs/dbraw/zinc/24/47/52/488244752.db2.gz LXVBFLSWCSTMKN-UHFFFAOYSA-N 1 2 237.303 0.576 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672400284 488253906 /nfs/dbraw/zinc/25/39/06/488253906.db2.gz KYBXXHRDKQQKKZ-ZWNOBZJWSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000672545294 488259119 /nfs/dbraw/zinc/25/91/19/488259119.db2.gz LPATZVMAYQOSQX-PSASIEDQSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000672545294 488259121 /nfs/dbraw/zinc/25/91/21/488259121.db2.gz LPATZVMAYQOSQX-PSASIEDQSA-N 1 2 224.308 0.579 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H](C)c1nncn1C)CC2 ZINC000672553323 488259808 /nfs/dbraw/zinc/25/98/08/488259808.db2.gz PEBIAYKDNICNKM-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO COC[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672965718 488270474 /nfs/dbraw/zinc/27/04/74/488270474.db2.gz FTBIMGXARXAVPX-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@](CO)([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000678716281 488277586 /nfs/dbraw/zinc/27/75/86/488277586.db2.gz DBWYMUXHJSYZBC-GFCCVEGCSA-N 1 2 248.286 0.508 20 0 BCADLO O=c1[nH]nc(CCCNc2cc[nH+]cc2F)[nH]1 ZINC000678787174 488282672 /nfs/dbraw/zinc/28/26/72/488282672.db2.gz BDPHUTCVEOSUJZ-UHFFFAOYSA-N 1 2 237.238 0.511 20 0 BCADLO OCC[NH+]1CCN(c2ccncc2F)CC1 ZINC000678788045 488283175 /nfs/dbraw/zinc/28/31/75/488283175.db2.gz CQOVOJCJSIKRJS-UHFFFAOYSA-N 1 2 225.267 0.335 20 0 BCADLO CC1(F)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000684324181 488289899 /nfs/dbraw/zinc/28/98/99/488289899.db2.gz QYZKDALYLRPOJK-UHFFFAOYSA-N 1 2 211.240 0.844 20 0 BCADLO CNC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000684655305 488336858 /nfs/dbraw/zinc/33/68/58/488336858.db2.gz FCMOAQJTOAJLMO-LBPRGKRZSA-N 1 2 234.303 0.747 20 0 BCADLO C[C@@H](CNC(=O)c1ccn(C)n1)Cn1cc[nH+]c1 ZINC000673842955 488309485 /nfs/dbraw/zinc/30/94/85/488309485.db2.gz XRNLACWDOZSUQK-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C[C@H](C)CO)n1 ZINC000673855851 488310456 /nfs/dbraw/zinc/31/04/56/488310456.db2.gz GIQLHJDQVAOFQU-DTWKUNHWSA-N 1 2 243.307 0.837 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)CO)n1 ZINC000673855851 488310457 /nfs/dbraw/zinc/31/04/57/488310457.db2.gz GIQLHJDQVAOFQU-DTWKUNHWSA-N 1 2 243.307 0.837 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1c[nH]ccc1=O ZINC000684427950 488311758 /nfs/dbraw/zinc/31/17/58/488311758.db2.gz YXAIYSSYVQOUIT-UHFFFAOYSA-N 1 2 232.243 0.669 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1c[nH]ccc1=O ZINC000684427950 488311759 /nfs/dbraw/zinc/31/17/59/488311759.db2.gz YXAIYSSYVQOUIT-UHFFFAOYSA-N 1 2 232.243 0.669 20 0 BCADLO C[C@H]1COCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000684465881 488317183 /nfs/dbraw/zinc/31/71/83/488317183.db2.gz YEJRSUYCDYESGF-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1COCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000684465881 488317186 /nfs/dbraw/zinc/31/71/86/488317186.db2.gz YEJRSUYCDYESGF-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226224 488321879 /nfs/dbraw/zinc/32/18/79/488321879.db2.gz ZRIIBSBMGGOQNT-WDEREUQCSA-N 1 2 246.326 0.819 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226224 488321882 /nfs/dbraw/zinc/32/18/82/488321882.db2.gz ZRIIBSBMGGOQNT-WDEREUQCSA-N 1 2 246.326 0.819 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000684510564 488324072 /nfs/dbraw/zinc/32/40/72/488324072.db2.gz XJKADGMYIGPBFZ-SVDPJWKOSA-N 1 2 247.298 0.207 20 0 BCADLO C[C@@H]1CCCN1C(=O)C[NH+]1CCOCC1 ZINC000679367584 488347304 /nfs/dbraw/zinc/34/73/04/488347304.db2.gz PBEOJXHNLFBKLR-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000679367529 488347516 /nfs/dbraw/zinc/34/75/16/488347516.db2.gz LLZXLUTTYJFZMO-VIFPVBQESA-N 1 2 240.307 0.109 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000679367529 488347518 /nfs/dbraw/zinc/34/75/18/488347518.db2.gz LLZXLUTTYJFZMO-VIFPVBQESA-N 1 2 240.307 0.109 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684853164 488349317 /nfs/dbraw/zinc/34/93/17/488349317.db2.gz GMOCBRXEKPTYRM-MRVPVSSYSA-N 1 2 246.270 0.797 20 0 BCADLO O=C1C[N@H+](Cc2ccc(O)cc2)CCN1 ZINC000679391432 488349843 /nfs/dbraw/zinc/34/98/43/488349843.db2.gz YLHCGCRQBKASLH-UHFFFAOYSA-N 1 2 206.245 0.324 20 0 BCADLO O=C1C[N@@H+](Cc2ccc(O)cc2)CCN1 ZINC000679391432 488349844 /nfs/dbraw/zinc/34/98/44/488349844.db2.gz YLHCGCRQBKASLH-UHFFFAOYSA-N 1 2 206.245 0.324 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000679539689 488357243 /nfs/dbraw/zinc/35/72/43/488357243.db2.gz FNPMHWZKYNHMOF-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000679539689 488357244 /nfs/dbraw/zinc/35/72/44/488357244.db2.gz FNPMHWZKYNHMOF-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO OCC[NH+]1CCN(c2ncc(Cl)s2)CC1 ZINC000679632595 488360936 /nfs/dbraw/zinc/36/09/36/488360936.db2.gz SSGZKXMVPNFZFT-UHFFFAOYSA-N 1 2 247.751 0.911 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H]1COCCN1C ZINC000679636669 488361068 /nfs/dbraw/zinc/36/10/68/488361068.db2.gz ROUSSLZQJFWNJF-GFCCVEGCSA-N 1 2 249.314 0.335 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000679647130 488362316 /nfs/dbraw/zinc/36/23/16/488362316.db2.gz FWAJDWQAOZVWJM-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC000121441202 490090012 /nfs/dbraw/zinc/09/00/12/490090012.db2.gz KJTDITOBSCLJQJ-LBPRGKRZSA-N 1 2 246.314 0.720 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000121441202 490090008 /nfs/dbraw/zinc/09/00/08/490090008.db2.gz KJTDITOBSCLJQJ-LBPRGKRZSA-N 1 2 246.314 0.720 20 0 BCADLO Cc1nccc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000121460843 490092615 /nfs/dbraw/zinc/09/26/15/490092615.db2.gz YRBMEKNUCAHSNR-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000653763003 490094876 /nfs/dbraw/zinc/09/48/76/490094876.db2.gz ACOWEOZDOFJKBM-UHFFFAOYSA-N 1 2 224.304 0.662 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000653763003 490094881 /nfs/dbraw/zinc/09/48/81/490094881.db2.gz ACOWEOZDOFJKBM-UHFFFAOYSA-N 1 2 224.304 0.662 20 0 BCADLO Cn1cc[nH+]c1CNc1cc2c(nn1)CCC2 ZINC000590772638 490094995 /nfs/dbraw/zinc/09/49/95/490094995.db2.gz VHRJZMQKAHTXSA-UHFFFAOYSA-N 1 2 229.287 1.311 20 0 BCADLO Cc1nc(NC[C@@H](O)[C@H]2CCCO2)cc[nH+]1 ZINC000528140621 490102254 /nfs/dbraw/zinc/10/22/54/490102254.db2.gz UCHRHYXPDPXCOI-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(NC[C@H](O)[C@@H]2CCOC2)cc[nH+]1 ZINC000336729148 490102577 /nfs/dbraw/zinc/10/25/77/490102577.db2.gz HLXOQJHYWSBVRV-ZJUUUORDSA-N 1 2 223.276 0.594 20 0 BCADLO Cc1nc(NC[C@@](C)(O)C2CC2)cc[nH+]1 ZINC000389626912 490102720 /nfs/dbraw/zinc/10/27/20/490102720.db2.gz KVUODDFJMAWAIN-LLVKDONJSA-N 1 2 207.277 1.358 20 0 BCADLO Cc1nc(NC[C@@H](O)COCC(C)C)cc[nH+]1 ZINC000360217520 490102791 /nfs/dbraw/zinc/10/27/91/490102791.db2.gz GOPHMXIBBZWJBZ-LLVKDONJSA-N 1 2 239.319 1.230 20 0 BCADLO COCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531255746 490136209 /nfs/dbraw/zinc/13/62/09/490136209.db2.gz OPKXCIPMBPDIEP-UHFFFAOYSA-N 1 2 210.281 0.303 20 0 BCADLO COCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000531255746 490136203 /nfs/dbraw/zinc/13/62/03/490136203.db2.gz OPKXCIPMBPDIEP-UHFFFAOYSA-N 1 2 210.281 0.303 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC000672149451 490198462 /nfs/dbraw/zinc/19/84/62/490198462.db2.gz OWGAONCXZYEJEX-MFKMUULPSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661722106 490204234 /nfs/dbraw/zinc/20/42/34/490204234.db2.gz WDGYZURBUOVYJF-POZPLHJXSA-N 1 2 222.292 0.631 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661722106 490204240 /nfs/dbraw/zinc/20/42/40/490204240.db2.gz WDGYZURBUOVYJF-POZPLHJXSA-N 1 2 222.292 0.631 20 0 BCADLO CCc1cc(NC[C@@H]2CCC(=O)N2)nc[nH+]1 ZINC000070621856 490226588 /nfs/dbraw/zinc/22/65/88/490226588.db2.gz OPKKJDCKOZOBKB-VIFPVBQESA-N 1 2 220.276 0.730 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CO1 ZINC000655812489 490259401 /nfs/dbraw/zinc/25/94/01/490259401.db2.gz PVPACFWONGKABV-BDAKNGLRSA-N 1 2 239.323 0.695 20 0 BCADLO Cc1ccnc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000068806516 490262148 /nfs/dbraw/zinc/26/21/48/490262148.db2.gz DRTXFZLTFZPMMO-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1ccnc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000068806516 490262156 /nfs/dbraw/zinc/26/21/56/490262156.db2.gz DRTXFZLTFZPMMO-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000124066259 490283936 /nfs/dbraw/zinc/28/39/36/490283936.db2.gz QUFSNNVWZZNZDQ-GFCCVEGCSA-N 1 2 248.330 0.967 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000124066259 490283941 /nfs/dbraw/zinc/28/39/41/490283941.db2.gz QUFSNNVWZZNZDQ-GFCCVEGCSA-N 1 2 248.330 0.967 20 0 BCADLO C[C@H](NCc1ncc[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000124860806 490405854 /nfs/dbraw/zinc/40/58/54/490405854.db2.gz WFCPUAWFXHVWKP-UWVGGRQHSA-N 1 2 224.308 0.218 20 0 BCADLO C[C@H](NCc1ncc[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124860806 490405859 /nfs/dbraw/zinc/40/58/59/490405859.db2.gz WFCPUAWFXHVWKP-UWVGGRQHSA-N 1 2 224.308 0.218 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000305051036 490414617 /nfs/dbraw/zinc/41/46/17/490414617.db2.gz HEJUHODBBZGVRJ-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccno1 ZINC000072982453 490414700 /nfs/dbraw/zinc/41/47/00/490414700.db2.gz HTKYPAHZDVZQRY-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccno1 ZINC000072982453 490414711 /nfs/dbraw/zinc/41/47/11/490414711.db2.gz HTKYPAHZDVZQRY-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1cncnc1 ZINC000130635464 490432448 /nfs/dbraw/zinc/43/24/48/490432448.db2.gz YGNLIQZWEMVVKW-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cncnc1 ZINC000130635464 490432454 /nfs/dbraw/zinc/43/24/54/490432454.db2.gz YGNLIQZWEMVVKW-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000305085968 490432651 /nfs/dbraw/zinc/43/26/51/490432651.db2.gz UHQCDPBDCIWKLC-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@H](NC(=O)c1cocn1)[C@H]1C[N@H+](C)CCO1 ZINC000126692659 490513184 /nfs/dbraw/zinc/51/31/84/490513184.db2.gz JHDGSINTWGGCMZ-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1cocn1)[C@H]1C[N@@H+](C)CCO1 ZINC000126692659 490513190 /nfs/dbraw/zinc/51/31/90/490513190.db2.gz JHDGSINTWGGCMZ-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000643354318 490590589 /nfs/dbraw/zinc/59/05/89/490590589.db2.gz XQOQARWPYOIBDM-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000643354318 490590592 /nfs/dbraw/zinc/59/05/92/490590592.db2.gz XQOQARWPYOIBDM-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1ncnn1C ZINC000305783004 490608510 /nfs/dbraw/zinc/60/85/10/490608510.db2.gz ANUZFLYCMRQORX-UHFFFAOYSA-N 1 2 226.324 0.798 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1ncnn1C ZINC000305783004 490608517 /nfs/dbraw/zinc/60/85/17/490608517.db2.gz ANUZFLYCMRQORX-UHFFFAOYSA-N 1 2 226.324 0.798 20 0 BCADLO CC(C)N1CC[C@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000085825391 491053607 /nfs/dbraw/zinc/05/36/07/491053607.db2.gz XZALDWWNGSIYPC-NSHDSACASA-N 1 2 236.319 0.851 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000085825391 491053608 /nfs/dbraw/zinc/05/36/08/491053608.db2.gz XZALDWWNGSIYPC-NSHDSACASA-N 1 2 236.319 0.851 20 0 BCADLO C[C@H](C[C@H](C)O)Nc1[nH+]cnc2c1cnn2C ZINC000228128884 491090857 /nfs/dbraw/zinc/09/08/57/491090857.db2.gz YGBRTEYUBDBOGP-SFYZADRCSA-N 1 2 235.291 0.935 20 0 BCADLO Cc1nccc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000608082336 491108656 /nfs/dbraw/zinc/10/86/56/491108656.db2.gz LTSVGJTXSITWQX-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000608082336 491108658 /nfs/dbraw/zinc/10/86/58/491108658.db2.gz LTSVGJTXSITWQX-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1cn(C)nn1 ZINC000234507279 491121966 /nfs/dbraw/zinc/12/19/66/491121966.db2.gz VTGZPLNHWNYZPB-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC000234507279 491121967 /nfs/dbraw/zinc/12/19/67/491121967.db2.gz VTGZPLNHWNYZPB-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO C[C@@H](O)CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000655371808 491124975 /nfs/dbraw/zinc/12/49/75/491124975.db2.gz CVVHOXZJJBSXSA-SECBINFHSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1nccc(N)n1 ZINC000309242114 491146617 /nfs/dbraw/zinc/14/66/17/491146617.db2.gz BANMQJCVQHNQAK-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1nccc(N)n1 ZINC000309242114 491146618 /nfs/dbraw/zinc/14/66/18/491146618.db2.gz BANMQJCVQHNQAK-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1nccc(N)n1 ZINC000309242115 491146655 /nfs/dbraw/zinc/14/66/55/491146655.db2.gz BANMQJCVQHNQAK-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1nccc(N)n1 ZINC000309242115 491146656 /nfs/dbraw/zinc/14/66/56/491146656.db2.gz BANMQJCVQHNQAK-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000890990158 582594400 /nfs/dbraw/zinc/59/44/00/582594400.db2.gz LLQGVJABARDNQX-PSASIEDQSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H]1CC[C@](CO)([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200865 533770004 /nfs/dbraw/zinc/77/00/04/533770004.db2.gz ILUCKFILRPNKOS-KWQFWETISA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200865 533770010 /nfs/dbraw/zinc/77/00/10/533770010.db2.gz ILUCKFILRPNKOS-KWQFWETISA-N 1 2 240.307 0.493 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000493211684 533794403 /nfs/dbraw/zinc/79/44/03/533794403.db2.gz RADTXQOGIWQWEK-NUPCCRGMSA-N 1 2 237.390 0.163 20 0 BCADLO CSC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000493211684 533794408 /nfs/dbraw/zinc/79/44/08/533794408.db2.gz RADTXQOGIWQWEK-NUPCCRGMSA-N 1 2 237.390 0.163 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cc(C)on2)C1 ZINC000495870530 533930933 /nfs/dbraw/zinc/93/09/33/533930933.db2.gz CYHMOZLQMCHPLT-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO COC(=O)N1CC([NH2+][C@H](C)c2ccn(C)n2)C1 ZINC000496736609 533934222 /nfs/dbraw/zinc/93/42/22/533934222.db2.gz SBFSGXQFKVCYBF-MRVPVSSYSA-N 1 2 238.291 0.521 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495599445 533947560 /nfs/dbraw/zinc/94/75/60/533947560.db2.gz ZYWIYAIAFALVNB-DTWKUNHWSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495599445 533947547 /nfs/dbraw/zinc/94/75/47/533947547.db2.gz ZYWIYAIAFALVNB-DTWKUNHWSA-N 1 2 214.265 0.158 20 0 BCADLO COC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000495839435 534003029 /nfs/dbraw/zinc/00/30/29/534003029.db2.gz YZJCBPAPSZLYDL-UHFFFAOYSA-N 1 2 242.319 0.940 20 0 BCADLO C[C@H]1COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493368605 534024342 /nfs/dbraw/zinc/02/43/42/534024342.db2.gz LSFBLWUYUWGBFN-XADBCAIWSA-N 1 2 221.260 0.670 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336093032 535716415 /nfs/dbraw/zinc/71/64/15/535716415.db2.gz VTHMJPYHTWTRIT-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336093032 535716422 /nfs/dbraw/zinc/71/64/22/535716422.db2.gz VTHMJPYHTWTRIT-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335665649 535728761 /nfs/dbraw/zinc/72/87/61/535728761.db2.gz FCKVLGKVECPMOL-MNOVXSKESA-N 1 2 241.335 0.463 20 0 BCADLO CCN(C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335665649 535728768 /nfs/dbraw/zinc/72/87/68/535728768.db2.gz FCKVLGKVECPMOL-MNOVXSKESA-N 1 2 241.335 0.463 20 0 BCADLO CC[C@](C)(O)C[N@@H+]1CCn2cnnc2C1 ZINC000119423877 535847187 /nfs/dbraw/zinc/84/71/87/535847187.db2.gz VVPGCCUFHNZEIT-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@](C)(O)C[N@H+]1CCn2cnnc2C1 ZINC000119423877 535847194 /nfs/dbraw/zinc/84/71/94/535847194.db2.gz VVPGCCUFHNZEIT-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493383146 534223624 /nfs/dbraw/zinc/22/36/24/534223624.db2.gz JAPGOXCRGPAOGO-WTSVBCDHSA-N 1 2 237.259 0.443 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nccn1C1CC1 ZINC000891917494 582737893 /nfs/dbraw/zinc/73/78/93/582737893.db2.gz HCJLPYSYDAFTLW-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nccn1C1CC1 ZINC000891917494 582737895 /nfs/dbraw/zinc/73/78/95/582737895.db2.gz HCJLPYSYDAFTLW-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512196272 534242564 /nfs/dbraw/zinc/24/25/64/534242564.db2.gz OVZNWDGYXQZTGB-GMTAPVOTSA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512196272 534242567 /nfs/dbraw/zinc/24/25/67/534242567.db2.gz OVZNWDGYXQZTGB-GMTAPVOTSA-N 1 2 245.319 0.266 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C[C@@H]2CN(C)C(=O)O2)CCN1C ZINC000495656868 534250619 /nfs/dbraw/zinc/25/06/19/534250619.db2.gz ZEANZNMTNWYXEZ-VWYCJHECSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCN1C ZINC000495656868 534250621 /nfs/dbraw/zinc/25/06/21/534250621.db2.gz ZEANZNMTNWYXEZ-VWYCJHECSA-N 1 2 241.335 0.461 20 0 BCADLO COC(=O)[C@@H](CF)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493387450 534254864 /nfs/dbraw/zinc/25/48/64/534254864.db2.gz MISRTUNNGBVGGF-TYWZFMJISA-N 1 2 241.222 0.050 20 0 BCADLO C[C@@]1(C(N)=O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493531554 534264755 /nfs/dbraw/zinc/26/47/55/534264755.db2.gz VJUPMHKVOZOYJE-QAVQXKDTSA-N 1 2 248.286 0.147 20 0 BCADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492866483 534272985 /nfs/dbraw/zinc/27/29/85/534272985.db2.gz QBUXWTKQDAXXFL-OTDNITJGSA-N 1 2 221.260 0.718 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2nnnn2C)C1 ZINC000488228517 534487865 /nfs/dbraw/zinc/48/78/65/534487865.db2.gz GGFUGQDINHBMLV-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2nnnn2C)C1 ZINC000488228517 534487871 /nfs/dbraw/zinc/48/78/71/534487871.db2.gz GGFUGQDINHBMLV-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)nc1 ZINC000494679722 534553128 /nfs/dbraw/zinc/55/31/28/534553128.db2.gz FWTOTVTZMVUZRF-JTQLQIEISA-N 1 2 219.288 0.742 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C3(CC3)C2)nc1 ZINC000494679722 534553130 /nfs/dbraw/zinc/55/31/30/534553130.db2.gz FWTOTVTZMVUZRF-JTQLQIEISA-N 1 2 219.288 0.742 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000343805691 534735923 /nfs/dbraw/zinc/73/59/23/534735923.db2.gz IVFVFXWZMAHJQW-ZETCQYMHSA-N 1 2 223.276 0.744 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000343805691 534735928 /nfs/dbraw/zinc/73/59/28/534735928.db2.gz IVFVFXWZMAHJQW-ZETCQYMHSA-N 1 2 223.276 0.744 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H](O)C2(CC2)C1 ZINC000493628573 534786393 /nfs/dbraw/zinc/78/63/93/534786393.db2.gz RAWNEZDQOJRKLO-GPYPMJJRSA-N 1 2 233.271 0.406 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1CCO ZINC000493547550 534786545 /nfs/dbraw/zinc/78/65/45/534786545.db2.gz FNMYISKKJLXJRX-FSIBCCDJSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CCO ZINC000492822270 534800505 /nfs/dbraw/zinc/80/05/05/534800505.db2.gz IBRTULAQZFWLMH-DLRQAJBASA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(O)(C(F)F)C1 ZINC000493092241 534801037 /nfs/dbraw/zinc/80/10/37/534801037.db2.gz HZNGRFOZKOJJTN-UPHRSURJSA-N 1 2 243.213 0.261 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCOC1 ZINC000493598724 534803708 /nfs/dbraw/zinc/80/37/08/534803708.db2.gz YYPNZBGHGZGFIH-UMBAGQNISA-N 1 2 221.260 0.718 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cnns1 ZINC000492897538 534805394 /nfs/dbraw/zinc/80/53/94/534805394.db2.gz JZIWFWOPELTCFK-UPHRSURJSA-N 1 2 221.245 0.913 20 0 BCADLO Cc1[nH]ncc1CNC(=O)/C=C\C[NH+](C)C ZINC000492690332 534854879 /nfs/dbraw/zinc/85/48/79/534854879.db2.gz PKLLHEGXCBUTHG-PLNGDYQASA-N 1 2 222.292 0.452 20 0 BCADLO CC(C)(C)OC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179059359 534890415 /nfs/dbraw/zinc/89/04/15/534890415.db2.gz YFVZVPAUOQRJNM-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCN1CCCC1=O)C1CC1 ZINC000348204703 536453778 /nfs/dbraw/zinc/45/37/78/536453778.db2.gz TXIQEFOQJWEPIG-NSHDSACASA-N 1 2 240.303 0.150 20 0 BCADLO CC(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493359232 526601776 /nfs/dbraw/zinc/60/17/76/526601776.db2.gz WPBNMUPYSMYSMR-NSCUHMNNSA-N 1 2 248.286 0.114 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000496383979 526750098 /nfs/dbraw/zinc/75/00/98/526750098.db2.gz GLHBDMYDKHQQKI-UHFFFAOYSA-N 1 2 243.307 0.243 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1CC(C)(C)OC1=O ZINC000496383979 526750102 /nfs/dbraw/zinc/75/01/02/526750102.db2.gz GLHBDMYDKHQQKI-UHFFFAOYSA-N 1 2 243.307 0.243 20 0 BCADLO CC(C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000493396143 527091276 /nfs/dbraw/zinc/09/12/76/527091276.db2.gz VVSRLSSYQMGJQU-ONEGZZNKSA-N 1 2 236.275 0.051 20 0 BCADLO CC(C)(CO)ONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493770576 527210150 /nfs/dbraw/zinc/21/01/50/527210150.db2.gz JVBAEWUNWDFTMD-ONEGZZNKSA-N 1 2 225.248 0.242 20 0 BCADLO CCC[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495792471 527785333 /nfs/dbraw/zinc/78/53/33/527785333.db2.gz FVEXMXZVXRQEQW-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO CCC[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495792471 527785338 /nfs/dbraw/zinc/78/53/38/527785338.db2.gz FVEXMXZVXRQEQW-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493817091 527877934 /nfs/dbraw/zinc/87/79/34/527877934.db2.gz HOEQNYZWAJKHDP-UMBAGQNISA-N 1 2 235.287 0.795 20 0 BCADLO CCN1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CC1=O ZINC000493800947 527975170 /nfs/dbraw/zinc/97/51/70/527975170.db2.gz DGUBGDNGCWLUQC-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000492801154 528167595 /nfs/dbraw/zinc/16/75/95/528167595.db2.gz OGMANDIHDHJKAY-WBSSQXGSSA-N 1 2 236.275 0.193 20 0 BCADLO CCC(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493266818 528291307 /nfs/dbraw/zinc/29/13/07/528291307.db2.gz TVXXIYOVCIRBFI-ONEGZZNKSA-N 1 2 207.233 0.518 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493511366 528431408 /nfs/dbraw/zinc/43/14/08/528431408.db2.gz DYMIVGZPYDQCJB-DLRQAJBASA-N 1 2 237.303 0.946 20 0 BCADLO CCO/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493100688 528534567 /nfs/dbraw/zinc/53/45/67/528534567.db2.gz BIJZWDQHOFHDQY-SSJHQANKSA-N 1 2 235.287 0.933 20 0 BCADLO CCOC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493100688 528534573 /nfs/dbraw/zinc/53/45/73/528534573.db2.gz BIJZWDQHOFHDQY-SSJHQANKSA-N 1 2 235.287 0.933 20 0 BCADLO CCOCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493145665 528670418 /nfs/dbraw/zinc/67/04/18/528670418.db2.gz GFWQRYZQTYNIFS-SNAWJCMRSA-N 1 2 223.276 0.966 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512227399 528747479 /nfs/dbraw/zinc/74/74/79/528747479.db2.gz LROVNAQIASLYGP-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512227399 528747480 /nfs/dbraw/zinc/74/74/80/528747480.db2.gz LROVNAQIASLYGP-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474053 528800476 /nfs/dbraw/zinc/80/04/76/528800476.db2.gz MCSIMZASIXQNJO-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474053 528800478 /nfs/dbraw/zinc/80/04/78/528800478.db2.gz MCSIMZASIXQNJO-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512214205 528848755 /nfs/dbraw/zinc/84/87/55/528848755.db2.gz VDBQTGUPENCHEN-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512214205 528848762 /nfs/dbraw/zinc/84/87/62/528848762.db2.gz VDBQTGUPENCHEN-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1COC1 ZINC000493342243 528907700 /nfs/dbraw/zinc/90/77/00/528907700.db2.gz YZLFQWAXITZGOO-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO CCOC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493185037 528953758 /nfs/dbraw/zinc/95/37/58/528953758.db2.gz HLQPJIXHVMKMAT-MOVJSRMASA-N 1 2 223.276 0.964 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493609711 529132963 /nfs/dbraw/zinc/13/29/63/529132963.db2.gz IJAXHFCIHWIRFX-FSIBCCDJSA-N 1 2 235.287 0.964 20 0 BCADLO CC1(C)C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493562432 529136254 /nfs/dbraw/zinc/13/62/54/529136254.db2.gz UOTBXEDZSKJMFP-ZBJFTSOASA-N 1 2 249.270 0.633 20 0 BCADLO CCN1CC[N@H+](CCCC(=O)OC)[C@H](C)C1=O ZINC000495203997 529141993 /nfs/dbraw/zinc/14/19/93/529141993.db2.gz RDEVKPBSXPVNCX-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN1CC[N@@H+](CCCC(=O)OC)[C@H](C)C1=O ZINC000495203997 529141995 /nfs/dbraw/zinc/14/19/95/529141995.db2.gz RDEVKPBSXPVNCX-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC1(O)CC[NH+](Cc2ncccn2)CC1 ZINC000088023549 535196558 /nfs/dbraw/zinc/19/65/58/535196558.db2.gz OOEHRWJZEJSGON-UHFFFAOYSA-N 1 2 207.277 0.823 20 0 BCADLO CC(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336144861 535374339 /nfs/dbraw/zinc/37/43/39/535374339.db2.gz QYGCWRBHQVHZGD-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)C[C@H](C)O ZINC000352210657 535390244 /nfs/dbraw/zinc/39/02/44/535390244.db2.gz HEJRROPWVHWWTL-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)C[C@H](C)O ZINC000352210657 535390248 /nfs/dbraw/zinc/39/02/48/535390248.db2.gz HEJRROPWVHWWTL-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000086594138 535432931 /nfs/dbraw/zinc/43/29/31/535432931.db2.gz RSASIEQPEMHYBE-MRVPVSSYSA-N 1 2 231.292 0.727 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)[C@H](C)CO ZINC000252874721 535649202 /nfs/dbraw/zinc/64/92/02/535649202.db2.gz WFZLFTAWGOVYKB-UTLUCORTSA-N 1 2 217.309 0.935 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000348219303 535663120 /nfs/dbraw/zinc/66/31/20/535663120.db2.gz LYMZDZBKKKLPKP-GHMZBOCLSA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185895769 535673064 /nfs/dbraw/zinc/67/30/64/535673064.db2.gz CEPNWZUBKFIQFR-LLVKDONJSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185895769 535673070 /nfs/dbraw/zinc/67/30/70/535673070.db2.gz CEPNWZUBKFIQFR-LLVKDONJSA-N 1 2 228.292 0.279 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000342632676 535713463 /nfs/dbraw/zinc/71/34/63/535713463.db2.gz MQKSQJRHKYKILJ-BJOHPYRUSA-N 1 2 234.365 0.164 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000342632676 535713468 /nfs/dbraw/zinc/71/34/68/535713468.db2.gz MQKSQJRHKYKILJ-BJOHPYRUSA-N 1 2 234.365 0.164 20 0 BCADLO CCNC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301774765 535791311 /nfs/dbraw/zinc/79/13/11/535791311.db2.gz QLIVBOOXZWOSBQ-UHFFFAOYSA-N 1 2 249.318 0.637 20 0 BCADLO CC[C@@H]([NH2+]CCOCCOC)C(=O)OC ZINC000168336577 535804047 /nfs/dbraw/zinc/80/40/47/535804047.db2.gz HBLTUIJWUYOMDQ-SECBINFHSA-N 1 2 219.281 0.191 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000407949250 535974575 /nfs/dbraw/zinc/97/45/75/535974575.db2.gz OAGWZORTIBQVLE-NSHDSACASA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000407949250 535974582 /nfs/dbraw/zinc/97/45/82/535974582.db2.gz OAGWZORTIBQVLE-NSHDSACASA-N 1 2 224.308 0.563 20 0 BCADLO CCn1cc(CC[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000348181973 536043054 /nfs/dbraw/zinc/04/30/54/536043054.db2.gz JMQDLYZWFHECSO-UHFFFAOYSA-N 1 2 246.318 0.622 20 0 BCADLO CCn1cc(CC[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000348181973 536043057 /nfs/dbraw/zinc/04/30/57/536043057.db2.gz JMQDLYZWFHECSO-UHFFFAOYSA-N 1 2 246.318 0.622 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)CSC)CCO1 ZINC000347699372 536145083 /nfs/dbraw/zinc/14/50/83/536145083.db2.gz WWODULGMYFRLNY-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)CSC)CCO1 ZINC000347699372 536145086 /nfs/dbraw/zinc/14/50/86/536145086.db2.gz WWODULGMYFRLNY-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CCc1nn(C)cc1C(=O)NCCn1cc[nH+]c1 ZINC000179900025 536184882 /nfs/dbraw/zinc/18/48/82/536184882.db2.gz QQTTVPCAOTUIHH-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000334233982 536319221 /nfs/dbraw/zinc/31/92/21/536319221.db2.gz YTEWMLFHPPFSJO-UHFFFAOYSA-N 1 2 234.303 0.851 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349245940 536326548 /nfs/dbraw/zinc/32/65/48/536326548.db2.gz SDNQDOCGEWFFSX-RQJHMYQMSA-N 1 2 240.263 0.169 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000335688700 536338203 /nfs/dbraw/zinc/33/82/03/536338203.db2.gz GFVRPWYLXQGPML-SECBINFHSA-N 1 2 238.291 0.486 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000335688700 536338206 /nfs/dbraw/zinc/33/82/06/536338206.db2.gz GFVRPWYLXQGPML-SECBINFHSA-N 1 2 238.291 0.486 20 0 BCADLO C[N@H+](Cc1csnn1)[C@@H]1CCC[C@H]1O ZINC000348555507 536485775 /nfs/dbraw/zinc/48/57/75/536485775.db2.gz NJHZATXCPBQVFS-RKDXNWHRSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@@H+](Cc1csnn1)[C@@H]1CCC[C@H]1O ZINC000348555507 536485776 /nfs/dbraw/zinc/48/57/76/536485776.db2.gz NJHZATXCPBQVFS-RKDXNWHRSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@H+](Cc1csnn1)[C@H]1CCC[C@H]1O ZINC000348555505 536486007 /nfs/dbraw/zinc/48/60/07/536486007.db2.gz NJHZATXCPBQVFS-DTWKUNHWSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@@H+](Cc1csnn1)[C@H]1CCC[C@H]1O ZINC000348555505 536486008 /nfs/dbraw/zinc/48/60/08/536486008.db2.gz NJHZATXCPBQVFS-DTWKUNHWSA-N 1 2 213.306 0.883 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CC=C(C)C ZINC000249387087 536543260 /nfs/dbraw/zinc/54/32/60/536543260.db2.gz QAOUHPASSXGARI-QWRGUYRKSA-N 1 2 227.304 0.951 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CC=C(C)C ZINC000249387087 536543265 /nfs/dbraw/zinc/54/32/65/536543265.db2.gz QAOUHPASSXGARI-QWRGUYRKSA-N 1 2 227.304 0.951 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182686867 536733536 /nfs/dbraw/zinc/73/35/36/536733536.db2.gz WWQCONDDDOCQPG-VHSXEESVSA-N 1 2 240.307 0.339 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182686867 536733540 /nfs/dbraw/zinc/73/35/40/536733540.db2.gz WWQCONDDDOCQPG-VHSXEESVSA-N 1 2 240.307 0.339 20 0 BCADLO COC(=O)[C@H]([NH2+]CCn1cc(C)cn1)C1CC1 ZINC000227770071 536737895 /nfs/dbraw/zinc/73/78/95/536737895.db2.gz YULPFYCNOHZQNK-LLVKDONJSA-N 1 2 237.303 0.733 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)COC(C)C)C1CC1 ZINC000348186543 536738883 /nfs/dbraw/zinc/73/88/83/536738883.db2.gz OLUIVFXAYOGJAW-WDEREUQCSA-N 1 2 245.319 0.314 20 0 BCADLO CO[C@H]1CCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342795620 536752768 /nfs/dbraw/zinc/75/27/68/536752768.db2.gz XWFAIZWVHNMZTL-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO CSCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000172359549 536922862 /nfs/dbraw/zinc/92/28/62/536922862.db2.gz CMSUFLZGTDYPRE-SNVBAGLBSA-N 1 2 244.360 0.329 20 0 BCADLO CSCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000172359549 536922865 /nfs/dbraw/zinc/92/28/65/536922865.db2.gz CMSUFLZGTDYPRE-SNVBAGLBSA-N 1 2 244.360 0.329 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cncnc2)[C@@H](C(N)=O)C1 ZINC000249882489 566417718 /nfs/dbraw/zinc/41/77/18/566417718.db2.gz HTJFFGRFSSILLU-MWLCHTKSSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cncnc2)[C@@H](C(N)=O)C1 ZINC000249882489 566417728 /nfs/dbraw/zinc/41/77/28/566417728.db2.gz HTJFFGRFSSILLU-MWLCHTKSSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1O ZINC000893078189 583043152 /nfs/dbraw/zinc/04/31/52/583043152.db2.gz CEIXKGXDWXJJTJ-IUCAKERBSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1O ZINC000893078189 583043155 /nfs/dbraw/zinc/04/31/55/583043155.db2.gz CEIXKGXDWXJJTJ-IUCAKERBSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@H](O)c1cccc(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000893102537 583049792 /nfs/dbraw/zinc/04/97/92/583049792.db2.gz YQULWMUQBQTFDC-JGVFFNPUSA-N 1 2 221.260 0.435 20 0 BCADLO CCn1nncc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000893556199 583163785 /nfs/dbraw/zinc/16/37/85/583163785.db2.gz OFYPDCYOHSXOSM-XXFAHNHDSA-N 1 2 244.364 0.497 20 0 BCADLO CCn1nncc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000893556199 583163789 /nfs/dbraw/zinc/16/37/89/583163789.db2.gz OFYPDCYOHSXOSM-XXFAHNHDSA-N 1 2 244.364 0.497 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000893642262 583184169 /nfs/dbraw/zinc/18/41/69/583184169.db2.gz NMRFXGNVCVOQHU-ZCFIWIBFSA-N 1 2 211.208 0.155 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@]12CCOC2 ZINC000332877551 583303592 /nfs/dbraw/zinc/30/35/92/583303592.db2.gz AKOROTUOHDSEOO-MWLCHTKSSA-N 1 2 221.260 0.453 20 0 BCADLO CC12CC(C1)CN2C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000852931053 588714047 /nfs/dbraw/zinc/71/40/47/588714047.db2.gz RJEYKLZRKDMGAT-UHFFFAOYSA-N 1 2 246.314 0.680 20 0 BCADLO Fc1cnc(NCC[NH+]2CCOCC2)cn1 ZINC000853084475 588719253 /nfs/dbraw/zinc/71/92/53/588719253.db2.gz OCVSHAMSTGBQJN-UHFFFAOYSA-N 1 2 226.255 0.360 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1cnc(F)cn1 ZINC000853161991 588723126 /nfs/dbraw/zinc/72/31/26/588723126.db2.gz JFJFQMBOCSHJHB-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO OCCCc1cn(-c2cc(F)ncn2)c[nH+]1 ZINC000853295232 588731438 /nfs/dbraw/zinc/73/14/38/588731438.db2.gz OBAXDIQAEITNNI-UHFFFAOYSA-N 1 2 222.223 0.726 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(=O)o1 ZINC000853503826 588746642 /nfs/dbraw/zinc/74/66/42/588746642.db2.gz KYBQPAFFZXZUQG-WPRPVWTQSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(=O)o1 ZINC000853503826 588746643 /nfs/dbraw/zinc/74/66/43/588746643.db2.gz KYBQPAFFZXZUQG-WPRPVWTQSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=O)o1 ZINC000853504764 588746654 /nfs/dbraw/zinc/74/66/54/588746654.db2.gz PFZVIJZKAYKSHC-JTQLQIEISA-N 1 2 223.276 0.834 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=O)o1 ZINC000853504764 588746655 /nfs/dbraw/zinc/74/66/55/588746655.db2.gz PFZVIJZKAYKSHC-JTQLQIEISA-N 1 2 223.276 0.834 20 0 BCADLO COC1(C)CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853505235 588746821 /nfs/dbraw/zinc/74/68/21/588746821.db2.gz IOHBUZIJUKZNKG-UHFFFAOYSA-N 1 2 241.291 0.603 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cn1cnnc1 ZINC000853542250 588748316 /nfs/dbraw/zinc/74/83/16/588748316.db2.gz YTBRUUPQZUHVCI-JTQLQIEISA-N 1 2 222.292 0.879 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1Cn1cnnc1 ZINC000853542250 588748317 /nfs/dbraw/zinc/74/83/17/588748317.db2.gz YTBRUUPQZUHVCI-JTQLQIEISA-N 1 2 222.292 0.879 20 0 BCADLO O=c1sccn1C[N@@H+]1CCC2(COC2)C1 ZINC000853597186 588750204 /nfs/dbraw/zinc/75/02/04/588750204.db2.gz DWOODDNZWRWBHB-UHFFFAOYSA-N 1 2 226.301 0.590 20 0 BCADLO O=c1sccn1C[N@H+]1CCC2(COC2)C1 ZINC000853597186 588750205 /nfs/dbraw/zinc/75/02/05/588750205.db2.gz DWOODDNZWRWBHB-UHFFFAOYSA-N 1 2 226.301 0.590 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC[C@@H](C)O ZINC000853669934 588754442 /nfs/dbraw/zinc/75/44/42/588754442.db2.gz XDMVHFDRNCDSSX-SSDOTTSWSA-N 1 2 231.296 0.170 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCOC(F)F ZINC000853673530 588754660 /nfs/dbraw/zinc/75/46/60/588754660.db2.gz FYFUDDMYHDFJBK-YFKPBYRVSA-N 1 2 212.196 0.759 20 0 BCADLO CCCn1ncnc1CO[NH+]=C(N)[C@@H](C)OC ZINC000853673450 588754716 /nfs/dbraw/zinc/75/47/16/588754716.db2.gz FDXKXMFSHWAREX-MRVPVSSYSA-N 1 2 241.295 0.721 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1cccnc1N ZINC000853674173 588754932 /nfs/dbraw/zinc/75/49/32/588754932.db2.gz TZFMQANMMCMGGF-ZETCQYMHSA-N 1 2 224.264 0.697 20 0 BCADLO CCc1cc(NC[C@H]2COCO2)nc[nH+]1 ZINC000853686879 588756301 /nfs/dbraw/zinc/75/63/01/588756301.db2.gz NFTNANQZYMISKE-VIFPVBQESA-N 1 2 209.249 0.824 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1COCCO1 ZINC000853688714 588756487 /nfs/dbraw/zinc/75/64/87/588756487.db2.gz SPGHBKMDSHTPLZ-SECBINFHSA-N 1 2 246.307 0.715 20 0 BCADLO COC[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)OC ZINC000853696747 588757505 /nfs/dbraw/zinc/75/75/05/588757505.db2.gz BCGMXMVWLOIBCW-BDAKNGLRSA-N 1 2 232.280 0.325 20 0 BCADLO NC(=[NH+]OCc1cccnc1N)[C@@H]1CCCO1 ZINC000853696764 588757515 /nfs/dbraw/zinc/75/75/15/588757515.db2.gz BPTFIRDHAHVUAG-VIFPVBQESA-N 1 2 236.275 0.841 20 0 BCADLO CCN1CC[C@@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000853699084 588757592 /nfs/dbraw/zinc/75/75/92/588757592.db2.gz WNDBRQPPWYONJM-RKDXNWHRSA-N 1 2 241.291 0.285 20 0 BCADLO CCN1CC[C@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000853699081 588757670 /nfs/dbraw/zinc/75/76/70/588757670.db2.gz WNDBRQPPWYONJM-BDAKNGLRSA-N 1 2 241.291 0.285 20 0 BCADLO CCCCCC[N@H+](C)CC(=O)Nc1nn[nH]n1 ZINC000111569232 588762634 /nfs/dbraw/zinc/76/26/34/588762634.db2.gz JSTBIMGAAXFRHM-UHFFFAOYSA-N 1 2 240.311 0.650 20 0 BCADLO CCCCCC[N@@H+](C)CC(=O)Nc1nn[nH]n1 ZINC000111569232 588762635 /nfs/dbraw/zinc/76/26/35/588762635.db2.gz JSTBIMGAAXFRHM-UHFFFAOYSA-N 1 2 240.311 0.650 20 0 BCADLO O=C(N1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000112022675 588780721 /nfs/dbraw/zinc/78/07/21/588780721.db2.gz VVDHSTZVIDGPGI-UHFFFAOYSA-N 1 2 222.210 0.855 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000854429953 588786695 /nfs/dbraw/zinc/78/66/95/588786695.db2.gz NVSHVVKWFDFIGN-VIFPVBQESA-N 1 2 249.274 0.148 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854456123 588787621 /nfs/dbraw/zinc/78/76/21/588787621.db2.gz LGJBSTOKXYLVMC-SECBINFHSA-N 1 2 225.292 0.333 20 0 BCADLO COC(OC)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000854461940 588788223 /nfs/dbraw/zinc/78/82/23/588788223.db2.gz DKNZOENKMWMULL-QMMMGPOBSA-N 1 2 241.291 0.466 20 0 BCADLO COC(OC)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000854461940 588788224 /nfs/dbraw/zinc/78/82/24/588788224.db2.gz DKNZOENKMWMULL-QMMMGPOBSA-N 1 2 241.291 0.466 20 0 BCADLO CC1=NO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000854527929 588790426 /nfs/dbraw/zinc/79/04/26/588790426.db2.gz VZYPOYYNXMTFRC-SNVBAGLBSA-N 1 2 234.259 0.390 20 0 BCADLO CO[C@](C)(CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854571219 588794836 /nfs/dbraw/zinc/79/48/36/588794836.db2.gz YDINOFITCGPTPV-GFCCVEGCSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](n2cccn2)C1 ZINC000854573244 588795064 /nfs/dbraw/zinc/79/50/64/588795064.db2.gz KAEVZWRYECTREM-SNVBAGLBSA-N 1 2 245.286 0.622 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000854580705 588795383 /nfs/dbraw/zinc/79/53/83/588795383.db2.gz PVWYSBSQHHFIOY-SNVBAGLBSA-N 1 2 217.272 0.903 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000854499133 588789608 /nfs/dbraw/zinc/78/96/08/588789608.db2.gz UMEBUZHEDHARID-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](O)C12CCCC2 ZINC000854644976 588798931 /nfs/dbraw/zinc/79/89/31/588798931.db2.gz JXXPMTYYFSNZJA-JTQLQIEISA-N 1 2 249.314 0.858 20 0 BCADLO COC[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854647774 588799142 /nfs/dbraw/zinc/79/91/42/588799142.db2.gz XVZFILSUTHSUJE-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@@H]1CCC[C@]1(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854666685 588800103 /nfs/dbraw/zinc/80/01/03/588800103.db2.gz CWWGAMGOMDCJEY-SKDRFNHKSA-N 1 2 237.303 0.620 20 0 BCADLO CCOC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854671541 588800432 /nfs/dbraw/zinc/80/04/32/588800432.db2.gz KRHPXZAXYYQLKW-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO CC1=NO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000854796082 588810117 /nfs/dbraw/zinc/81/01/17/588810117.db2.gz GASFUFNFSUIHNI-SECBINFHSA-N 1 2 222.248 0.164 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CC(C)=NO2)c[nH+]1 ZINC000854797007 588810151 /nfs/dbraw/zinc/81/01/51/588810151.db2.gz QIGXTJSJZOSTAN-QMMMGPOBSA-N 1 2 222.248 0.613 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCOC1 ZINC000854805045 588811216 /nfs/dbraw/zinc/81/12/16/588811216.db2.gz DXLOWSQFWFNPES-UHFFFAOYSA-N 1 2 244.254 0.697 20 0 BCADLO COC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854892264 588815617 /nfs/dbraw/zinc/81/56/17/588815617.db2.gz SNSJAUFDLZUALN-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COc1cccnc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854888363 588815756 /nfs/dbraw/zinc/81/57/56/588815756.db2.gz UVUQSTYMQQOGDR-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CC1=NO[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000854906850 588816281 /nfs/dbraw/zinc/81/62/81/588816281.db2.gz YUEKJAQYZVRQDR-SNVBAGLBSA-N 1 2 236.275 0.244 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H](CO)C1 ZINC000854951257 588818529 /nfs/dbraw/zinc/81/85/29/588818529.db2.gz SJVGRSIIVSTJGZ-ZJUUUORDSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854962028 588819066 /nfs/dbraw/zinc/81/90/66/588819066.db2.gz RORSQSLIKFPLAV-RKDXNWHRSA-N 1 2 223.276 0.324 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=COCC1 ZINC000855134459 588822569 /nfs/dbraw/zinc/82/25/69/588822569.db2.gz PCCVBSOBZDTQIG-UHFFFAOYSA-N 1 2 207.233 0.672 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=COCC1 ZINC000855134459 588822570 /nfs/dbraw/zinc/82/25/70/588822570.db2.gz PCCVBSOBZDTQIG-UHFFFAOYSA-N 1 2 207.233 0.672 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CSC(=O)N1 ZINC000855134303 588822630 /nfs/dbraw/zinc/82/26/30/588822630.db2.gz JRSXZVBDNHQHOR-ZETCQYMHSA-N 1 2 240.288 0.193 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CSC(=O)N1 ZINC000855134303 588822631 /nfs/dbraw/zinc/82/26/31/588822631.db2.gz JRSXZVBDNHQHOR-ZETCQYMHSA-N 1 2 240.288 0.193 20 0 BCADLO CC1=NO[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000855136313 588823144 /nfs/dbraw/zinc/82/31/44/588823144.db2.gz OPPLBPHFGLAVNJ-SECBINFHSA-N 1 2 222.248 0.533 20 0 BCADLO CC1=NO[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000855136313 588823145 /nfs/dbraw/zinc/82/31/45/588823145.db2.gz OPPLBPHFGLAVNJ-SECBINFHSA-N 1 2 222.248 0.533 20 0 BCADLO COC/C=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135943 588823487 /nfs/dbraw/zinc/82/34/87/588823487.db2.gz JJHCFMQCNJNOTJ-ONEGZZNKSA-N 1 2 209.249 0.571 20 0 BCADLO COC/C=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135943 588823488 /nfs/dbraw/zinc/82/34/88/588823488.db2.gz JJHCFMQCNJNOTJ-ONEGZZNKSA-N 1 2 209.249 0.571 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(F)F ZINC000855413534 588831741 /nfs/dbraw/zinc/83/17/41/588831741.db2.gz MUKKGYZWGOWOHA-SFYZADRCSA-N 1 2 236.262 0.477 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(F)F ZINC000855413534 588831742 /nfs/dbraw/zinc/83/17/42/588831742.db2.gz MUKKGYZWGOWOHA-SFYZADRCSA-N 1 2 236.262 0.477 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2(F)CC2)[C@@H](C)CO1 ZINC000855408141 588831787 /nfs/dbraw/zinc/83/17/87/588831787.db2.gz QROFAOXGECXCJT-VHSXEESVSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(F)CC2)[C@@H](C)CO1 ZINC000855408141 588831788 /nfs/dbraw/zinc/83/17/88/588831788.db2.gz QROFAOXGECXCJT-VHSXEESVSA-N 1 2 244.310 0.714 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NOC1CCC1 ZINC000812795003 582566324 /nfs/dbraw/zinc/56/63/24/582566324.db2.gz TYGXAQNSXLUTNC-UHFFFAOYSA-N 1 2 223.276 0.953 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000890990161 582594588 /nfs/dbraw/zinc/59/45/88/582594588.db2.gz LLQGVJABARDNQX-WPRPVWTQSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891039074 582600140 /nfs/dbraw/zinc/60/01/40/582600140.db2.gz GFTZQMBZXWINBZ-WDEREUQCSA-N 1 2 235.287 0.424 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891048033 582601977 /nfs/dbraw/zinc/60/19/77/582601977.db2.gz IODXWOQDZJDUAN-NWDGAFQWSA-N 1 2 249.314 0.504 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCNC1=O ZINC000888976736 582624977 /nfs/dbraw/zinc/62/49/77/582624977.db2.gz ATJCPBWNDCNXND-SNVBAGLBSA-N 1 2 247.298 0.531 20 0 BCADLO CN(CC1C[NH+](C)C1)C(=O)[C@@H](F)C(F)(F)F ZINC000855641720 588841822 /nfs/dbraw/zinc/84/18/22/588841822.db2.gz PMRMGBARZFWPTQ-SSDOTTSWSA-N 1 2 242.216 0.907 20 0 BCADLO CN(CC1C[NH+](C)C1)C(=O)C(F)C(F)(F)F ZINC000855641720 588841823 /nfs/dbraw/zinc/84/18/23/588841823.db2.gz PMRMGBARZFWPTQ-SSDOTTSWSA-N 1 2 242.216 0.907 20 0 BCADLO NC(=O)[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891493397 582693175 /nfs/dbraw/zinc/69/31/75/582693175.db2.gz OXTJUVCAJLUMSF-SECBINFHSA-N 1 2 245.286 0.431 20 0 BCADLO COCc1nc(NCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000891516786 582694655 /nfs/dbraw/zinc/69/46/55/582694655.db2.gz PETZMQFIBAJJHE-UHFFFAOYSA-N 1 2 249.274 0.637 20 0 BCADLO C[N@H+](CC(N)=O)Cc1nccc2c1CCCC2 ZINC000891577338 582697706 /nfs/dbraw/zinc/69/77/06/582697706.db2.gz CBYIJPKXLWLXKX-UHFFFAOYSA-N 1 2 233.315 0.878 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1nccc2c1CCCC2 ZINC000891577338 582697708 /nfs/dbraw/zinc/69/77/08/582697708.db2.gz CBYIJPKXLWLXKX-UHFFFAOYSA-N 1 2 233.315 0.878 20 0 BCADLO CNc1cc(N2CCC[C@H]2C(=O)N(C)C)nc[nH+]1 ZINC000891619702 582702647 /nfs/dbraw/zinc/70/26/47/582702647.db2.gz TZEDRSOSVMDSQK-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CNc1cc(N2CCC[C@H]2C(=O)N(C)C)[nH+]cn1 ZINC000891619702 582702650 /nfs/dbraw/zinc/70/26/50/582702650.db2.gz TZEDRSOSVMDSQK-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO COc1nccc(C[N@@H+]2CC[C@H](O)C2)c1F ZINC000891640679 582704680 /nfs/dbraw/zinc/70/46/80/582704680.db2.gz PNDZGFGWTCJCHE-VIFPVBQESA-N 1 2 226.251 0.796 20 0 BCADLO COc1nccc(C[N@H+]2CC[C@H](O)C2)c1F ZINC000891640679 582704683 /nfs/dbraw/zinc/70/46/83/582704683.db2.gz PNDZGFGWTCJCHE-VIFPVBQESA-N 1 2 226.251 0.796 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891729676 582714759 /nfs/dbraw/zinc/71/47/59/582714759.db2.gz VQYGCVLPZNQGQI-SNVBAGLBSA-N 1 2 238.287 0.999 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)o1 ZINC000891729676 582714760 /nfs/dbraw/zinc/71/47/60/582714760.db2.gz VQYGCVLPZNQGQI-SNVBAGLBSA-N 1 2 238.287 0.999 20 0 BCADLO CC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000855743439 588846577 /nfs/dbraw/zinc/84/65/77/588846577.db2.gz FKTTZENSHFLSJI-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO CCc1cc(N(C)CC(N)=O)nc(CC)[nH+]1 ZINC000891830041 582727590 /nfs/dbraw/zinc/72/75/90/582727590.db2.gz UQPBAFISHQJDNL-UHFFFAOYSA-N 1 2 222.292 0.523 20 0 BCADLO Cc1cc(N(C)CC(N)=O)nc(C2CCC2)[nH+]1 ZINC000891829019 582728346 /nfs/dbraw/zinc/72/83/46/582728346.db2.gz BNXUENFRLIAJCT-UHFFFAOYSA-N 1 2 234.303 0.974 20 0 BCADLO CNc1cc(N[C@@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000891913725 582737071 /nfs/dbraw/zinc/73/70/71/582737071.db2.gz LNRVAJXZDAOWBG-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO CNc1cc(N[C@@H](C)CN2CCCC2=O)[nH+]cn1 ZINC000891913725 582737073 /nfs/dbraw/zinc/73/70/73/582737073.db2.gz LNRVAJXZDAOWBG-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO CN(C)c1cc(NCCn2cccn2)[nH+]cn1 ZINC000891951721 582744229 /nfs/dbraw/zinc/74/42/29/582744229.db2.gz BKKDQTYTGLACQA-UHFFFAOYSA-N 1 2 232.291 0.851 20 0 BCADLO CN(C)c1cc(NCCn2cccn2)nc[nH+]1 ZINC000891951721 582744231 /nfs/dbraw/zinc/74/42/31/582744231.db2.gz BKKDQTYTGLACQA-UHFFFAOYSA-N 1 2 232.291 0.851 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779841049 582748346 /nfs/dbraw/zinc/74/83/46/582748346.db2.gz HWRQETHQSSFQNV-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H](Cn1cncn1)Nc1cc(N(C)C)nc[nH+]1 ZINC000892127807 582796718 /nfs/dbraw/zinc/79/67/18/582796718.db2.gz UXVHKOPJGXDJRP-VIFPVBQESA-N 1 2 247.306 0.635 20 0 BCADLO C[C@@H](Cn1cncn1)Nc1cc(N(C)C)[nH+]cn1 ZINC000892127807 582796720 /nfs/dbraw/zinc/79/67/20/582796720.db2.gz UXVHKOPJGXDJRP-VIFPVBQESA-N 1 2 247.306 0.635 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCNC(=O)C1(C)C ZINC000214565989 582821251 /nfs/dbraw/zinc/82/12/51/582821251.db2.gz LIQVCRYCIALQLE-UITAMQMPSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCNC(=O)C1(C)C ZINC000214565989 582821255 /nfs/dbraw/zinc/82/12/55/582821255.db2.gz LIQVCRYCIALQLE-UITAMQMPSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000214602828 582825591 /nfs/dbraw/zinc/82/55/91/582825591.db2.gz ZOKHLVDUXPZAFA-BZJXQOFCSA-N 1 2 226.276 0.055 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H]1C(N)=O ZINC000214602828 582825592 /nfs/dbraw/zinc/82/55/92/582825592.db2.gz ZOKHLVDUXPZAFA-BZJXQOFCSA-N 1 2 226.276 0.055 20 0 BCADLO C[C@H](O)c1cccc(NCCn2cncn2)[nH+]1 ZINC000892326986 582850671 /nfs/dbraw/zinc/85/06/71/582850671.db2.gz GOGQXPFEBWIVLF-VIFPVBQESA-N 1 2 233.275 0.839 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2C[C@H]2C1 ZINC000856066152 588859054 /nfs/dbraw/zinc/85/90/54/588859054.db2.gz RWHPKWBMXJKCFY-IUCAKERBSA-N 1 2 205.261 0.821 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCCC2)CCO1 ZINC000725856485 582923040 /nfs/dbraw/zinc/92/30/40/582923040.db2.gz QAIAJOHJYDFSGO-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCCC2)CCO1 ZINC000725856485 582923043 /nfs/dbraw/zinc/92/30/43/582923043.db2.gz QAIAJOHJYDFSGO-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851779435 582966805 /nfs/dbraw/zinc/96/68/05/582966805.db2.gz NACSTUPZBXACLX-ILMIYZIASA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851779435 582966806 /nfs/dbraw/zinc/96/68/06/582966806.db2.gz NACSTUPZBXACLX-ILMIYZIASA-N 1 2 245.344 0.533 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851840682 582971151 /nfs/dbraw/zinc/97/11/51/582971151.db2.gz ABONSFGFQZHRJR-IUCAKERBSA-N 1 2 229.276 0.575 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851840682 582971153 /nfs/dbraw/zinc/97/11/53/582971153.db2.gz ABONSFGFQZHRJR-IUCAKERBSA-N 1 2 229.276 0.575 20 0 BCADLO CCn1ncc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000856281677 588866955 /nfs/dbraw/zinc/86/69/55/588866955.db2.gz RQKKAWLKPBJLBU-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935995 582982519 /nfs/dbraw/zinc/98/25/19/582982519.db2.gz HVJBMRRPODFMKX-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935995 582982521 /nfs/dbraw/zinc/98/25/21/582982521.db2.gz HVJBMRRPODFMKX-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935995 582982522 /nfs/dbraw/zinc/98/25/22/582982522.db2.gz HVJBMRRPODFMKX-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935995 582982523 /nfs/dbraw/zinc/98/25/23/582982523.db2.gz HVJBMRRPODFMKX-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO CN(C)c1cc(N[C@@H]2C=C[C@H](CO)C2)[nH+]cn1 ZINC000892786542 582982783 /nfs/dbraw/zinc/98/27/83/582982783.db2.gz UAYAKTKFMRQEAX-VHSXEESVSA-N 1 2 234.303 0.892 20 0 BCADLO CN(C)c1cc(N[C@@H]2C=C[C@H](CO)C2)nc[nH+]1 ZINC000892786542 582982785 /nfs/dbraw/zinc/98/27/85/582982785.db2.gz UAYAKTKFMRQEAX-VHSXEESVSA-N 1 2 234.303 0.892 20 0 BCADLO C[C@]1(O)CCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000892807142 582986462 /nfs/dbraw/zinc/98/64/62/582986462.db2.gz PTQKOUQLBGASNU-NSHDSACASA-N 1 2 235.291 0.292 20 0 BCADLO C[C@]1(O)CCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000892807142 582986465 /nfs/dbraw/zinc/98/64/65/582986465.db2.gz PTQKOUQLBGASNU-NSHDSACASA-N 1 2 235.291 0.292 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000851975352 582987821 /nfs/dbraw/zinc/98/78/21/582987821.db2.gz QGCWVOWAWHAIRS-SCZZXKLOSA-N 1 2 238.291 0.231 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000851975352 582987822 /nfs/dbraw/zinc/98/78/22/582987822.db2.gz QGCWVOWAWHAIRS-SCZZXKLOSA-N 1 2 238.291 0.231 20 0 BCADLO CNc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000892905148 583007604 /nfs/dbraw/zinc/00/76/04/583007604.db2.gz HYNFNHQQNPMRSL-UHFFFAOYSA-N 1 2 219.252 0.291 20 0 BCADLO CNc1cc(NCCc2nnc[nH]2)[nH+]cn1 ZINC000892905148 583007605 /nfs/dbraw/zinc/00/76/05/583007605.db2.gz HYNFNHQQNPMRSL-UHFFFAOYSA-N 1 2 219.252 0.291 20 0 BCADLO COC1(C)CN(c2nccn3c[nH+]cc23)C1 ZINC000893059780 583039989 /nfs/dbraw/zinc/03/99/89/583039989.db2.gz RJVOWGIERMRQOZ-UHFFFAOYSA-N 1 2 218.260 0.954 20 0 BCADLO CN(C)c1cc(NCc2ncn(C)n2)[nH+]cn1 ZINC000893078237 583042950 /nfs/dbraw/zinc/04/29/50/583042950.db2.gz DIFGNMLIYYTCSI-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO CN(C)c1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000893078237 583042951 /nfs/dbraw/zinc/04/29/51/583042951.db2.gz DIFGNMLIYYTCSI-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893080489 583044473 /nfs/dbraw/zinc/04/44/73/583044473.db2.gz PAQPMGUZEDYZMJ-WPRPVWTQSA-N 1 2 218.260 0.546 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000310048256 583085903 /nfs/dbraw/zinc/08/59/03/583085903.db2.gz CVRWPUROAPTBKR-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000310048256 583085904 /nfs/dbraw/zinc/08/59/04/583085904.db2.gz CVRWPUROAPTBKR-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C=CCC1 ZINC000855429894 583103900 /nfs/dbraw/zinc/10/39/00/583103900.db2.gz RCXNRQFKMDXDPL-WDEREUQCSA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C=CCC1 ZINC000855429894 583103902 /nfs/dbraw/zinc/10/39/02/583103902.db2.gz RCXNRQFKMDXDPL-WDEREUQCSA-N 1 2 224.304 0.542 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000856281812 583117829 /nfs/dbraw/zinc/11/78/29/583117829.db2.gz RXVZVIXETCYQHY-BDAKNGLRSA-N 1 2 236.275 0.762 20 0 BCADLO C[C@@H](O)c1cccc(N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC000893378500 583132909 /nfs/dbraw/zinc/13/29/09/583132909.db2.gz CHVIOQHNPUMMSP-NXEZZACHSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1nccn2c[nH+]cc12 ZINC000893427490 583142007 /nfs/dbraw/zinc/14/20/07/583142007.db2.gz NEXQEWLSUQHQTA-IUCAKERBSA-N 1 2 218.260 0.689 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1nccn2c[nH+]cc12 ZINC000893427492 583142242 /nfs/dbraw/zinc/14/22/42/583142242.db2.gz NEXQEWLSUQHQTA-RKDXNWHRSA-N 1 2 218.260 0.689 20 0 BCADLO CCc1cc(N(C)C[C@H](C)c2nn[nH]n2)nc[nH+]1 ZINC000095305084 583175796 /nfs/dbraw/zinc/17/57/96/583175796.db2.gz QDMNEJGRBVEZLP-QMMMGPOBSA-N 1 2 247.306 0.792 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2cc[nH]c(=O)c2)n1 ZINC000893674177 583193191 /nfs/dbraw/zinc/19/31/91/583193191.db2.gz FEOSXFFDSMKLHK-UHFFFAOYSA-N 1 2 249.274 0.526 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000893674652 583194485 /nfs/dbraw/zinc/19/44/85/583194485.db2.gz MAJBUSIVGYAFTE-ZETCQYMHSA-N 1 2 242.279 0.177 20 0 BCADLO C[C@H](CO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000893739228 583216425 /nfs/dbraw/zinc/21/64/25/583216425.db2.gz AWROUVGVGRWMBI-MRVPVSSYSA-N 1 2 210.281 0.360 20 0 BCADLO C[C@H](CO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000893739228 583216427 /nfs/dbraw/zinc/21/64/27/583216427.db2.gz AWROUVGVGRWMBI-MRVPVSSYSA-N 1 2 210.281 0.360 20 0 BCADLO CS[C@H](C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000893797321 583222479 /nfs/dbraw/zinc/22/24/79/583222479.db2.gz DFFHRACUMKZTAX-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO Cc1[nH]nc(CN2CC[NH+](CCO)CC2)c1C ZINC000893863941 583234274 /nfs/dbraw/zinc/23/42/74/583234274.db2.gz JBBLTAYOHIJCDQ-UHFFFAOYSA-N 1 2 238.335 0.136 20 0 BCADLO CC(=O)N1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000893870371 583236360 /nfs/dbraw/zinc/23/63/60/583236360.db2.gz ANRQVTFTLZIUOO-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ocnc1C ZINC000893905546 583242907 /nfs/dbraw/zinc/24/29/07/583242907.db2.gz OLVQXPZVPAUNEI-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ocnc1C ZINC000893905546 583242909 /nfs/dbraw/zinc/24/29/09/583242909.db2.gz OLVQXPZVPAUNEI-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO Cc1ncoc1C[N@@H+](C)CC(=O)NC(C)C ZINC000893912507 583246183 /nfs/dbraw/zinc/24/61/83/583246183.db2.gz XFKHSUYKWVXGKS-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1ncoc1C[N@H+](C)CC(=O)NC(C)C ZINC000893912507 583246186 /nfs/dbraw/zinc/24/61/86/583246186.db2.gz XFKHSUYKWVXGKS-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000893917477 583246790 /nfs/dbraw/zinc/24/67/90/583246790.db2.gz VWYLUDWLIXPIPD-YIZRAAEISA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000893917477 583246793 /nfs/dbraw/zinc/24/67/93/583246793.db2.gz VWYLUDWLIXPIPD-YIZRAAEISA-N 1 2 249.257 0.761 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000893939558 583254896 /nfs/dbraw/zinc/25/48/96/583254896.db2.gz ZPJFHYUXYFJMQB-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000893939558 583254899 /nfs/dbraw/zinc/25/48/99/583254899.db2.gz ZPJFHYUXYFJMQB-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000893939561 583254920 /nfs/dbraw/zinc/25/49/20/583254920.db2.gz ZPJFHYUXYFJMQB-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000893939561 583254922 /nfs/dbraw/zinc/25/49/22/583254922.db2.gz ZPJFHYUXYFJMQB-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1[nH]nc(C)c1C ZINC000893942461 583256280 /nfs/dbraw/zinc/25/62/80/583256280.db2.gz BODBMPCZOLPXFZ-UHFFFAOYSA-N 1 2 238.335 0.937 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1[nH]nc(C)c1C ZINC000893942461 583256282 /nfs/dbraw/zinc/25/62/82/583256282.db2.gz BODBMPCZOLPXFZ-UHFFFAOYSA-N 1 2 238.335 0.937 20 0 BCADLO C[C@@H](O)c1cccc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC000893949757 583260277 /nfs/dbraw/zinc/26/02/77/583260277.db2.gz WKEYTPWBOFFGBG-ZNSHCXBVSA-N 1 2 234.299 0.809 20 0 BCADLO C[C@H](O)c1cccc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC000893949756 583260690 /nfs/dbraw/zinc/26/06/90/583260690.db2.gz WKEYTPWBOFFGBG-UKKRHICBSA-N 1 2 234.299 0.809 20 0 BCADLO COC[C@@H]([NH2+]C1CCC(C)(O)CC1)C(=O)OC ZINC000893953920 583261365 /nfs/dbraw/zinc/26/13/65/583261365.db2.gz AIOTYVNSLFMSQA-SQLBVSGCSA-N 1 2 245.319 0.458 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000893984956 583268582 /nfs/dbraw/zinc/26/85/82/583268582.db2.gz VTVGLUXXDTVNRZ-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000893984956 583268583 /nfs/dbraw/zinc/26/85/83/583268583.db2.gz VTVGLUXXDTVNRZ-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO CC(C)c1c[nH]c(CN2CCNC(=O)[C@H]2C)[nH+]1 ZINC000893984262 583269168 /nfs/dbraw/zinc/26/91/68/583269168.db2.gz MDHBDWOIFHSIDU-SECBINFHSA-N 1 2 236.319 0.853 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+](CCO)CCCO)n1 ZINC000894019715 583273214 /nfs/dbraw/zinc/27/32/14/583273214.db2.gz BFXJCHBERLKKJF-UHFFFAOYSA-N 1 2 241.335 0.710 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+](CCO)CCCO)n1 ZINC000894019715 583273217 /nfs/dbraw/zinc/27/32/17/583273217.db2.gz BFXJCHBERLKKJF-UHFFFAOYSA-N 1 2 241.335 0.710 20 0 BCADLO CC[C@@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000894016776 583275776 /nfs/dbraw/zinc/27/57/76/583275776.db2.gz WJNNBKCOMSPELT-VIFPVBQESA-N 1 2 220.276 0.936 20 0 BCADLO CCN1C[C@H](Nc2cc(N(C)C)nc[nH+]2)CC1=O ZINC000894067544 583293777 /nfs/dbraw/zinc/29/37/77/583293777.db2.gz MDJQKNPQUOANNJ-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO CCN1C[C@H](Nc2cc(N(C)C)[nH+]cn2)CC1=O ZINC000894067544 583293782 /nfs/dbraw/zinc/29/37/82/583293782.db2.gz MDJQKNPQUOANNJ-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO CCc1cc(N2CC(=O)N[C@@H](C)C2)nc(CC)[nH+]1 ZINC000894070744 583296289 /nfs/dbraw/zinc/29/62/89/583296289.db2.gz GFKRGLCDOCOTND-VIFPVBQESA-N 1 2 248.330 0.926 20 0 BCADLO CC1(CO)CN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894078641 583297543 /nfs/dbraw/zinc/29/75/43/583297543.db2.gz LZCPZUSEAJYRJQ-UHFFFAOYSA-N 1 2 235.291 0.150 20 0 BCADLO CC1(CO)CN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894078641 583297545 /nfs/dbraw/zinc/29/75/45/583297545.db2.gz LZCPZUSEAJYRJQ-UHFFFAOYSA-N 1 2 235.291 0.150 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@]12CCOC2 ZINC000332877551 583303590 /nfs/dbraw/zinc/30/35/90/583303590.db2.gz AKOROTUOHDSEOO-MWLCHTKSSA-N 1 2 221.260 0.453 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894168853 583324386 /nfs/dbraw/zinc/32/43/86/583324386.db2.gz WWLFZSBPZZDVLR-MRVPVSSYSA-N 1 2 245.348 0.758 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894191520 583334757 /nfs/dbraw/zinc/33/47/57/583334757.db2.gz YOKSFELJHNZXDM-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894191520 583334760 /nfs/dbraw/zinc/33/47/60/583334760.db2.gz YOKSFELJHNZXDM-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726260000 583343751 /nfs/dbraw/zinc/34/37/51/583343751.db2.gz XPRYLALJSXVKJS-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726260000 583343752 /nfs/dbraw/zinc/34/37/52/583343752.db2.gz XPRYLALJSXVKJS-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO Cn1ncnc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752866 583346032 /nfs/dbraw/zinc/34/60/32/583346032.db2.gz UKIQZBWETATEDF-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752866 583346036 /nfs/dbraw/zinc/34/60/36/583346036.db2.gz UKIQZBWETATEDF-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H](CF)NC(=S)NCC[NH+]1CCOCC1 ZINC000814206082 583347627 /nfs/dbraw/zinc/34/76/27/583347627.db2.gz VELWTLKCMPAQOH-VIFPVBQESA-N 1 2 249.355 0.141 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878509947 583376867 /nfs/dbraw/zinc/37/68/67/583376867.db2.gz ZDIYQAPDRHVTHI-WCBMZHEXSA-N 1 2 248.348 0.398 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnn(C)n1 ZINC000857280881 588902630 /nfs/dbraw/zinc/90/26/30/588902630.db2.gz PCRYLOZCUVBPGF-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677622 583392080 /nfs/dbraw/zinc/39/20/80/583392080.db2.gz JWEYWJBAPPVJSU-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677622 583392081 /nfs/dbraw/zinc/39/20/81/583392081.db2.gz JWEYWJBAPPVJSU-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccon2)C1(F)F ZINC000894323408 583422269 /nfs/dbraw/zinc/42/22/69/583422269.db2.gz GDKQROQMOUPJPD-JGVFFNPUSA-N 1 2 246.213 0.819 20 0 BCADLO O=C1CCN1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000857232420 588897936 /nfs/dbraw/zinc/89/79/36/588897936.db2.gz CEOAAGOOOCEXLD-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO O=C1CCN1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000857232420 588897938 /nfs/dbraw/zinc/89/79/38/588897938.db2.gz CEOAAGOOOCEXLD-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO C[C@@H](O)c1cccc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC000894388753 583445557 /nfs/dbraw/zinc/44/55/57/583445557.db2.gz KRJYMYPLWNKLFI-HLTSFMKQSA-N 1 2 235.287 0.811 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOCC2(CC2)C1 ZINC000857234286 588899361 /nfs/dbraw/zinc/89/93/61/588899361.db2.gz PPTOSSZRHQTMBD-UHFFFAOYSA-N 1 2 210.277 0.289 20 0 BCADLO O=C1CCN1C[N@H+]1CCOCC2(CC2)C1 ZINC000857234286 588899362 /nfs/dbraw/zinc/89/93/62/588899362.db2.gz PPTOSSZRHQTMBD-UHFFFAOYSA-N 1 2 210.277 0.289 20 0 BCADLO Nc1nc(N[C@@H](CO)CCF)nc(C2CC2)[nH+]1 ZINC000894402425 583450559 /nfs/dbraw/zinc/45/05/59/583450559.db2.gz JCWVCNWXKLVZPO-SSDOTTSWSA-N 1 2 241.270 0.464 20 0 BCADLO Nc1nc(N[C@@H](CO)CCF)[nH+]c(C2CC2)n1 ZINC000894402425 583450560 /nfs/dbraw/zinc/45/05/60/583450560.db2.gz JCWVCNWXKLVZPO-SSDOTTSWSA-N 1 2 241.270 0.464 20 0 BCADLO CO[C@@](C)(CO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894421831 583457490 /nfs/dbraw/zinc/45/74/90/583457490.db2.gz GEWGDXJYINXJHW-BXKDBHETSA-N 1 2 240.303 0.944 20 0 BCADLO Cc1nn(C)c(C[N@H+](C)CCC(N)=O)c1Cl ZINC000894432877 583459038 /nfs/dbraw/zinc/45/90/38/583459038.db2.gz VQBOYAWMANVOLW-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO Cc1nn(C)c(C[N@@H+](C)CCC(N)=O)c1Cl ZINC000894432877 583459041 /nfs/dbraw/zinc/45/90/41/583459041.db2.gz VQBOYAWMANVOLW-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000894564162 583484305 /nfs/dbraw/zinc/48/43/05/583484305.db2.gz PHQLSLAABHOAME-SKDRFNHKSA-N 1 2 234.303 0.991 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@]3(C)C2)[nH+]cn1 ZINC000894564162 583484307 /nfs/dbraw/zinc/48/43/07/583484307.db2.gz PHQLSLAABHOAME-SKDRFNHKSA-N 1 2 234.303 0.991 20 0 BCADLO c1ncc(C[NH+]2CC([C@@H]3CCOC3)C2)[nH]1 ZINC000894604064 583491000 /nfs/dbraw/zinc/49/10/00/583491000.db2.gz HWYAPEKHYCMRMU-SECBINFHSA-N 1 2 207.277 0.878 20 0 BCADLO CN(C)c1cc(N2CCC3(COC3)C2)nc[nH+]1 ZINC000894610011 583492071 /nfs/dbraw/zinc/49/20/71/583492071.db2.gz KVVNGWFNFDCTDJ-UHFFFAOYSA-N 1 2 234.303 0.769 20 0 BCADLO CN(C)c1cc(N2CCC3(COC3)C2)[nH+]cn1 ZINC000894610011 583492072 /nfs/dbraw/zinc/49/20/72/583492072.db2.gz KVVNGWFNFDCTDJ-UHFFFAOYSA-N 1 2 234.303 0.769 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1C ZINC000894638695 583498366 /nfs/dbraw/zinc/49/83/66/583498366.db2.gz SSEKZHLPLOVUOB-GFCCVEGCSA-N 1 2 236.319 0.724 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1C ZINC000894638695 583498367 /nfs/dbraw/zinc/49/83/67/583498367.db2.gz SSEKZHLPLOVUOB-GFCCVEGCSA-N 1 2 236.319 0.724 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH+]2CC(C)(OC)C2)C1(F)F ZINC000894781471 583520426 /nfs/dbraw/zinc/52/04/26/583520426.db2.gz PUJHVAOQFQBJEO-SFYZADRCSA-N 1 2 249.257 0.761 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000894783085 583521669 /nfs/dbraw/zinc/52/16/69/583521669.db2.gz QBDWZCNLKGINBH-DTORHVGOSA-N 1 2 249.318 0.243 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000894783085 583521672 /nfs/dbraw/zinc/52/16/72/583521672.db2.gz QBDWZCNLKGINBH-DTORHVGOSA-N 1 2 249.318 0.243 20 0 BCADLO CC[C@H]1CC[C@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894807198 583523254 /nfs/dbraw/zinc/52/32/54/583523254.db2.gz WFRKXPKCRFNCAE-GXSJLCMTSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@H]1CC[C@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894807198 583523255 /nfs/dbraw/zinc/52/32/55/583523255.db2.gz WFRKXPKCRFNCAE-GXSJLCMTSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@@H]1CC[C@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894807200 583523681 /nfs/dbraw/zinc/52/36/81/583523681.db2.gz WFRKXPKCRFNCAE-MWLCHTKSSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@@H]1CC[C@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894807200 583523682 /nfs/dbraw/zinc/52/36/82/583523682.db2.gz WFRKXPKCRFNCAE-MWLCHTKSSA-N 1 2 236.319 0.775 20 0 BCADLO OCc1nnn2c1C[N@@H+](C1CC3(CCC3)C1)CC2 ZINC000894808898 583523702 /nfs/dbraw/zinc/52/37/02/583523702.db2.gz GHSGGAJYJYVREP-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO OCc1nnn2c1C[N@H+](C1CC3(CCC3)C1)CC2 ZINC000894808898 583523703 /nfs/dbraw/zinc/52/37/03/583523703.db2.gz GHSGGAJYJYVREP-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO CC1(O)C[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000894830596 583527920 /nfs/dbraw/zinc/52/79/20/583527920.db2.gz NDOJLOVJUPPASD-UWVGGRQHSA-N 1 2 245.294 0.687 20 0 BCADLO C[C@H](O)c1cccc(N[C@@H]2COC[C@@H]2O)[nH+]1 ZINC000894866790 583537677 /nfs/dbraw/zinc/53/76/77/583537677.db2.gz CDGNWAXBCQODER-SFGNSQDASA-N 1 2 224.260 0.307 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1COCO1)C(=O)OC(C)(C)C ZINC000894889471 583547261 /nfs/dbraw/zinc/54/72/61/583547261.db2.gz PBBKQHJFLPRQBH-RKDXNWHRSA-N 1 2 231.292 0.679 20 0 BCADLO CC(C)c1c[nH]c(CN2CC(=O)N[C@@H](C)C2)[nH+]1 ZINC000894904135 583553219 /nfs/dbraw/zinc/55/32/19/583553219.db2.gz ZJZJBTBCHNTKCQ-VIFPVBQESA-N 1 2 236.319 0.853 20 0 BCADLO CCS(=O)(=O)CCC[NH2+]Cc1c[nH]cn1 ZINC000895013081 583567950 /nfs/dbraw/zinc/56/79/50/583567950.db2.gz XPZNKGGIHUHZJR-UHFFFAOYSA-N 1 2 231.321 0.324 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1C ZINC000895013518 583567986 /nfs/dbraw/zinc/56/79/86/583567986.db2.gz BRQKKXKNLQHJJK-JQWIXIFHSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1C ZINC000895013518 583567988 /nfs/dbraw/zinc/56/79/88/583567988.db2.gz BRQKKXKNLQHJJK-JQWIXIFHSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)[nH]1 ZINC000895008320 583569731 /nfs/dbraw/zinc/56/97/31/583569731.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)[nH]1 ZINC000895008320 583569733 /nfs/dbraw/zinc/56/97/33/583569733.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000895008320 583569736 /nfs/dbraw/zinc/56/97/36/583569736.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000895008320 583569739 /nfs/dbraw/zinc/56/97/39/583569739.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n[nH]1 ZINC000895008320 583569741 /nfs/dbraw/zinc/56/97/41/583569741.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)n[nH]1 ZINC000895008320 583569744 /nfs/dbraw/zinc/56/97/44/583569744.db2.gz VVBARZBSYFFBQJ-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO CN(C)c1cc(NC[C@H]2C[C@H](O)C2)[nH+]cn1 ZINC000895072822 583579928 /nfs/dbraw/zinc/57/99/28/583579928.db2.gz ARBFRGUIJIHHOX-KYZUINATSA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(NC[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000895072822 583579930 /nfs/dbraw/zinc/57/99/30/583579930.db2.gz ARBFRGUIJIHHOX-KYZUINATSA-N 1 2 222.292 0.725 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccnc1 ZINC000727026056 583590637 /nfs/dbraw/zinc/59/06/37/583590637.db2.gz SDKFEAQHBAQEKL-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccnc1 ZINC000727026056 583590640 /nfs/dbraw/zinc/59/06/40/583590640.db2.gz SDKFEAQHBAQEKL-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CN(C)c1cc(N2C[C@H]3C[C@@]3(O)C2)nc[nH+]1 ZINC000895151410 583606820 /nfs/dbraw/zinc/60/68/20/583606820.db2.gz GFRYCJWVSNBUBA-LDYMZIIASA-N 1 2 220.276 0.114 20 0 BCADLO CN(C)c1cc(N2C[C@H]3C[C@@]3(O)C2)[nH+]cn1 ZINC000895151410 583606821 /nfs/dbraw/zinc/60/68/21/583606821.db2.gz GFRYCJWVSNBUBA-LDYMZIIASA-N 1 2 220.276 0.114 20 0 BCADLO O=Cc1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000882382165 583614120 /nfs/dbraw/zinc/61/41/20/583614120.db2.gz PFIMNCFSYQNLAK-UHFFFAOYSA-N 1 2 229.243 0.575 20 0 BCADLO C[C@@H]([NH2+]CC1(F)CC1)C1N=NC(=O)N1C ZINC000895177185 583616371 /nfs/dbraw/zinc/61/63/71/583616371.db2.gz VPSGMNZKKNDRCF-ZCFIWIBFSA-N 1 2 214.244 0.673 20 0 BCADLO C[C@@H]([NH2+]Cc1cccnc1)C1N=NC(=O)N1C ZINC000895184030 583618682 /nfs/dbraw/zinc/61/86/82/583618682.db2.gz OSGXXSQAXSCZLZ-MRVPVSSYSA-N 1 2 233.275 0.767 20 0 BCADLO O[C@@H]1CC[C@@H]2CN(c3nccn4c[nH+]cc34)C[C@H]12 ZINC000895209032 583625834 /nfs/dbraw/zinc/62/58/34/583625834.db2.gz YBSLOLOWURQHFY-JFGNBEQYSA-N 1 2 244.298 0.936 20 0 BCADLO CC1=NO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000895303744 583645387 /nfs/dbraw/zinc/64/53/87/583645387.db2.gz CFUNHVDCDXVXPE-VIFPVBQESA-N 1 2 209.253 0.070 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1csnn1 ZINC000895317290 583647994 /nfs/dbraw/zinc/64/79/94/583647994.db2.gz VWHVCAFUFIDROB-SSDOTTSWSA-N 1 2 226.305 0.152 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCc2nn[nH]c2C1 ZINC000895354525 583657186 /nfs/dbraw/zinc/65/71/86/583657186.db2.gz PRTSOKDKVNKDCB-UHFFFAOYSA-N 1 2 244.302 0.649 20 0 BCADLO O=C1CC[C@H]([N@@H+]2Cc3ccncc3C2)C(=O)N1 ZINC000857878922 588919459 /nfs/dbraw/zinc/91/94/59/588919459.db2.gz OTTCJFIORSEIKZ-JTQLQIEISA-N 1 2 231.255 0.202 20 0 BCADLO O=C1CC[C@H]([N@H+]2Cc3ccncc3C2)C(=O)N1 ZINC000857878922 588919460 /nfs/dbraw/zinc/91/94/60/588919460.db2.gz OTTCJFIORSEIKZ-JTQLQIEISA-N 1 2 231.255 0.202 20 0 BCADLO CC[C@H](C)[C@@H](C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398845 583665862 /nfs/dbraw/zinc/66/58/62/583665862.db2.gz FDHOAQWGMRYWFJ-GXSJLCMTSA-N 1 2 249.376 0.776 20 0 BCADLO CC[C@H](C)[C@@H](C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398845 583665863 /nfs/dbraw/zinc/66/58/63/583665863.db2.gz FDHOAQWGMRYWFJ-GXSJLCMTSA-N 1 2 249.376 0.776 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCNC(=O)CC2(C)C)n1 ZINC000895399921 583666200 /nfs/dbraw/zinc/66/62/00/583666200.db2.gz KZGMPNARGNGCSJ-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCNC(=O)CC2(C)C)n1 ZINC000895399921 583666201 /nfs/dbraw/zinc/66/62/01/583666201.db2.gz KZGMPNARGNGCSJ-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1ncoc1CNCC[N@@H+]1CC[C@@H](O)C1 ZINC000895403810 583667722 /nfs/dbraw/zinc/66/77/22/583667722.db2.gz ALDAXFSLRQDVIG-SNVBAGLBSA-N 1 2 225.292 0.139 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H]1C(F)F ZINC000857885882 588920531 /nfs/dbraw/zinc/92/05/31/588920531.db2.gz PPOYTXHEALBJJE-YEPSODPASA-N 1 2 241.241 0.825 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885603 588920724 /nfs/dbraw/zinc/92/07/24/588920724.db2.gz XFYHUGGJUAPSHG-KSXVILFYSA-N 1 2 235.287 0.517 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885107 588920750 /nfs/dbraw/zinc/92/07/50/588920750.db2.gz ORIWXWRWILSJJP-JTQLQIEISA-N 1 2 245.286 0.129 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1(C2CC2)CC1 ZINC000895480964 583680287 /nfs/dbraw/zinc/68/02/87/583680287.db2.gz BAOYCYGYIYAJGT-UHFFFAOYSA-N 1 2 238.331 0.625 20 0 BCADLO CC1(C)C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888749 588921220 /nfs/dbraw/zinc/92/12/20/588921220.db2.gz CIULSMKSOXDFJF-SCZZXKLOSA-N 1 2 219.288 0.970 20 0 BCADLO CCCONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000895513220 583682542 /nfs/dbraw/zinc/68/25/42/583682542.db2.gz HJUPIMKUEFZVKA-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO CCCONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000895513220 583682543 /nfs/dbraw/zinc/68/25/43/583682543.db2.gz HJUPIMKUEFZVKA-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(F)nc1 ZINC000857889221 588921374 /nfs/dbraw/zinc/92/13/74/588921374.db2.gz IPJPFPALPHAQOJ-VIFPVBQESA-N 1 2 246.245 0.772 20 0 BCADLO CC(C)OCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887155 588921401 /nfs/dbraw/zinc/92/14/01/588921401.db2.gz HYDSKRDYCLGGII-JTQLQIEISA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000895524224 583686412 /nfs/dbraw/zinc/68/64/12/583686412.db2.gz HSFXBSPYDZEBAE-RKDXNWHRSA-N 1 2 238.291 0.397 20 0 BCADLO CC[C@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895662010 583702435 /nfs/dbraw/zinc/70/24/35/583702435.db2.gz FXBYWIMYXKPGJI-SNVBAGLBSA-N 1 2 239.319 0.814 20 0 BCADLO Cn1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cnc1Cl ZINC000895652319 583703885 /nfs/dbraw/zinc/70/38/85/583703885.db2.gz GHMXOSWNBPFFRC-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cnc1Cl ZINC000895652319 583703886 /nfs/dbraw/zinc/70/38/86/583703886.db2.gz GHMXOSWNBPFFRC-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO COc1ccc(CNCC[N@@H+]2CC[C@H](O)C2)o1 ZINC000895674142 583704210 /nfs/dbraw/zinc/70/42/10/583704210.db2.gz VEVXQVYOKQEJAZ-JTQLQIEISA-N 1 2 240.303 0.444 20 0 BCADLO COc1ccc(CNCC[N@H+]2CC[C@H](O)C2)o1 ZINC000895674142 583704213 /nfs/dbraw/zinc/70/42/13/583704213.db2.gz VEVXQVYOKQEJAZ-JTQLQIEISA-N 1 2 240.303 0.444 20 0 BCADLO C[C@@H](CNC(=O)c1cncc2nc[nH]c21)[NH+](C)C ZINC000895681595 583708971 /nfs/dbraw/zinc/70/89/71/583708971.db2.gz RXHURIKHUKHFCV-QMMMGPOBSA-N 1 2 247.302 0.638 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H](C)O ZINC000895743637 583715933 /nfs/dbraw/zinc/71/59/33/583715933.db2.gz JCXXMOLJCCRYQN-HXFLIBJXSA-N 1 2 233.333 0.250 20 0 BCADLO CCn1cncc1C[N@@H+]1CCCn2nncc2C1 ZINC000895755768 583720323 /nfs/dbraw/zinc/72/03/23/583720323.db2.gz ACJNNLNDYCLSCZ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCn1cncc1C[N@H+]1CCCn2nncc2C1 ZINC000895755768 583720325 /nfs/dbraw/zinc/72/03/25/583720325.db2.gz ACJNNLNDYCLSCZ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757898 583721217 /nfs/dbraw/zinc/72/12/17/583721217.db2.gz XVSAKJAJJAUQFI-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Cc1ncoc1C[N@H+]1CCCn2nncc2C1 ZINC000895757898 583721219 /nfs/dbraw/zinc/72/12/19/583721219.db2.gz XVSAKJAJJAUQFI-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Nc1ncc2c(n1)C[N@@H+](CCOC(F)F)CC2 ZINC000857923171 588924187 /nfs/dbraw/zinc/92/41/87/588924187.db2.gz AQYYZJCUJBCQEO-UHFFFAOYSA-N 1 2 244.245 0.656 20 0 BCADLO Nc1ncc2c(n1)C[N@H+](CCOC(F)F)CC2 ZINC000857923171 588924188 /nfs/dbraw/zinc/92/41/88/588924188.db2.gz AQYYZJCUJBCQEO-UHFFFAOYSA-N 1 2 244.245 0.656 20 0 BCADLO CC1(C)C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808908 583729459 /nfs/dbraw/zinc/72/94/59/583729459.db2.gz WXGDOAGQHHEFPD-BDAKNGLRSA-N 1 2 213.277 0.849 20 0 BCADLO CC1(C)C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808910 583729662 /nfs/dbraw/zinc/72/96/62/583729662.db2.gz WXGDOAGQHHEFPD-IUCAKERBSA-N 1 2 213.277 0.849 20 0 BCADLO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCOC1=O ZINC000895808647 583729736 /nfs/dbraw/zinc/72/97/36/583729736.db2.gz LQHYRTIBPLTDQL-AEJSXWLSSA-N 1 2 240.303 0.339 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000895800883 583730935 /nfs/dbraw/zinc/73/09/35/583730935.db2.gz IYQQKCGOQGJAGI-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000895798572 583731062 /nfs/dbraw/zinc/73/10/62/583731062.db2.gz HJBVWFJPADAAAW-LLVKDONJSA-N 1 2 236.319 0.999 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)COC1 ZINC000857949725 588925023 /nfs/dbraw/zinc/92/50/23/588925023.db2.gz CHVVKZBEUCJTBS-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]C1CCSCC1 ZINC000895802405 583731439 /nfs/dbraw/zinc/73/14/39/583731439.db2.gz SCDVTMUTWXEMLE-QMMMGPOBSA-N 1 2 201.291 0.787 20 0 BCADLO CC1(C)OC[C@H](C[NH2+][C@H]2CCOC2=O)O1 ZINC000895807995 583732651 /nfs/dbraw/zinc/73/26/51/583732651.db2.gz GDNBQWWGPNAFFM-YUMQZZPRSA-N 1 2 215.249 0.043 20 0 BCADLO CC(C)n1cc[nH+]c1CN[C@H]1CCOC1=O ZINC000895808358 583732800 /nfs/dbraw/zinc/73/28/00/583732800.db2.gz GSJNYDBKVHZEBA-VIFPVBQESA-N 1 2 223.276 0.869 20 0 BCADLO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCOC1=O)OC ZINC000895808135 583732838 /nfs/dbraw/zinc/73/28/38/583732838.db2.gz AWKFOSBUCZLITM-LPEHRKFASA-N 1 2 215.293 0.953 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857961853 588925759 /nfs/dbraw/zinc/92/57/59/588925759.db2.gz HGKZARJMQPGJRB-SECBINFHSA-N 1 2 249.314 0.929 20 0 BCADLO O=C(COCC(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC000857973883 588926085 /nfs/dbraw/zinc/92/60/85/588926085.db2.gz DCMXVIBCLFCOIM-SSDOTTSWSA-N 1 2 245.229 0.726 20 0 BCADLO CCc1nc(C)cc(N2CCOCN2)[nH+]1 ZINC000895925784 583747714 /nfs/dbraw/zinc/74/77/14/583747714.db2.gz NFFJRXHAKJYYKS-UHFFFAOYSA-N 1 2 208.265 0.646 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000895964881 583753944 /nfs/dbraw/zinc/75/39/44/583753944.db2.gz ZKNHHFVOUPROTI-NSHDSACASA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000895964881 583753946 /nfs/dbraw/zinc/75/39/46/583753946.db2.gz ZKNHHFVOUPROTI-NSHDSACASA-N 1 2 224.260 0.592 20 0 BCADLO COCC1C[NH+](Cc2cncnc2OC)C1 ZINC000895974489 583756962 /nfs/dbraw/zinc/75/69/62/583756962.db2.gz FITCWKQWMBOSCU-UHFFFAOYSA-N 1 2 223.276 0.563 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2ccco2)CS1(=O)=O ZINC000895979439 583757539 /nfs/dbraw/zinc/75/75/39/583757539.db2.gz IIOIEDCHWZWKTJ-VIFPVBQESA-N 1 2 229.301 0.945 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2cc[nH]n2)CS1(=O)=O ZINC000895978078 583757657 /nfs/dbraw/zinc/75/76/57/583757657.db2.gz MEOAIKMNNWPIID-QMMMGPOBSA-N 1 2 229.305 0.075 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cnn1 ZINC000857979424 588927428 /nfs/dbraw/zinc/92/74/28/588927428.db2.gz OQHMJIUUQQSRHE-SNVBAGLBSA-N 1 2 243.270 0.856 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)ncn1 ZINC000857980856 588927477 /nfs/dbraw/zinc/92/74/77/588927477.db2.gz RKSMFQNHAXNRQV-VIFPVBQESA-N 1 2 243.270 0.856 20 0 BCADLO Cc1nnccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980757 588927564 /nfs/dbraw/zinc/92/75/64/588927564.db2.gz PKGQDIHZFABJMB-JTQLQIEISA-N 1 2 243.270 0.856 20 0 BCADLO Cn1cncc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979430 588927642 /nfs/dbraw/zinc/92/76/42/588927642.db2.gz OQWIZDQYUFWIED-QMMMGPOBSA-N 1 2 231.259 0.491 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857978891 588927687 /nfs/dbraw/zinc/92/76/87/588927687.db2.gz RNYAYHPJUVUQDG-MFKMUULPSA-N 1 2 249.314 0.995 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cncc(O)c1 ZINC000857981417 588927962 /nfs/dbraw/zinc/92/79/62/588927962.db2.gz DHMPOYHJQMQJRX-SNVBAGLBSA-N 1 2 244.254 0.859 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CO1 ZINC000857982558 588928007 /nfs/dbraw/zinc/92/80/07/588928007.db2.gz PSTYHTOUMBKHCR-KXUCPTDWSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccnnc1 ZINC000857981713 588928263 /nfs/dbraw/zinc/92/82/63/588928263.db2.gz ATUDZYMLXGZLJE-VIFPVBQESA-N 1 2 229.243 0.548 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982839 588928296 /nfs/dbraw/zinc/92/82/96/588928296.db2.gz MSCOFPDWCJNAEI-VHSXEESVSA-N 1 2 237.303 0.995 20 0 BCADLO O=C1C[C@@H](CCNc2cc[nH+]cc2F)CN1 ZINC000896134620 583774890 /nfs/dbraw/zinc/77/48/90/583774890.db2.gz LXIDHXYYEOPTQL-MRVPVSSYSA-N 1 2 223.251 0.581 20 0 BCADLO CN(C)c1cc(NCC[C@@H]2CNC(=O)C2)[nH+]cn1 ZINC000896136661 583775608 /nfs/dbraw/zinc/77/56/08/583775608.db2.gz XNGKQALISGMISI-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO CN(C)c1cc(NCC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000896136661 583775609 /nfs/dbraw/zinc/77/56/09/583775609.db2.gz XNGKQALISGMISI-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO CCc1nc(NCC[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000896135776 583775753 /nfs/dbraw/zinc/77/57/53/583775753.db2.gz JOAOSAGZDGKULM-SECBINFHSA-N 1 2 234.303 0.977 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccon1 ZINC000857985111 588928429 /nfs/dbraw/zinc/92/84/29/588928429.db2.gz HTINNYZRVLAPJE-SSDOTTSWSA-N 1 2 218.216 0.746 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCOC1 ZINC000857983909 588928807 /nfs/dbraw/zinc/92/88/07/588928807.db2.gz FMCIPYGSMMHKDR-NXEZZACHSA-N 1 2 235.287 0.871 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCOC1 ZINC000857983910 588928863 /nfs/dbraw/zinc/92/88/63/588928863.db2.gz FMCIPYGSMMHKDR-UWVGGRQHSA-N 1 2 235.287 0.871 20 0 BCADLO CSCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989143 588929212 /nfs/dbraw/zinc/92/92/12/588929212.db2.gz LQOHBSORLBQTNX-SSDOTTSWSA-N 1 2 211.290 0.807 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986713 588929467 /nfs/dbraw/zinc/92/94/67/588929467.db2.gz PHCFZEVPEBSVCK-SSDOTTSWSA-N 1 2 233.231 0.449 20 0 BCADLO CCOCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989357 588929503 /nfs/dbraw/zinc/92/95/03/588929503.db2.gz QBURAEPVBPCFKG-QMMMGPOBSA-N 1 2 209.249 0.481 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(=O)[nH]c1 ZINC000857989738 588929843 /nfs/dbraw/zinc/92/98/43/588929843.db2.gz JZUIVVXXFAYPFH-SECBINFHSA-N 1 2 244.254 0.859 20 0 BCADLO Cc1cnc(C(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC000857991206 588929884 /nfs/dbraw/zinc/92/98/84/588929884.db2.gz VSZIONFVQALUTH-VIFPVBQESA-N 1 2 243.270 0.856 20 0 BCADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896483329 583806051 /nfs/dbraw/zinc/80/60/51/583806051.db2.gz XRLMGZPPABYMMJ-SECBINFHSA-N 1 2 249.274 0.853 20 0 BCADLO CC[N@H+]1CCO[C@@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896483329 583806053 /nfs/dbraw/zinc/80/60/53/583806053.db2.gz XRLMGZPPABYMMJ-SECBINFHSA-N 1 2 249.274 0.853 20 0 BCADLO C[C@H]1CCN(C(=O)CO)C[C@H]1n1cc[nH+]c1 ZINC000896515347 583808593 /nfs/dbraw/zinc/80/85/93/583808593.db2.gz ARWUTXFGSKTUCA-VHSXEESVSA-N 1 2 223.276 0.285 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896550041 583810621 /nfs/dbraw/zinc/81/06/21/583810621.db2.gz WYKMYBFBFBODJE-WHOHXGKFSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896550041 583810622 /nfs/dbraw/zinc/81/06/22/583810622.db2.gz WYKMYBFBFBODJE-WHOHXGKFSA-N 1 2 239.363 0.393 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857937336 588924558 /nfs/dbraw/zinc/92/45/58/588924558.db2.gz ANGZGFDATVLSHT-VQNWOSHQSA-N 1 2 249.314 0.907 20 0 BCADLO Cn1nccc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000896853198 583839950 /nfs/dbraw/zinc/83/99/50/583839950.db2.gz KZULQHUJRUGYII-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO Cn1nccc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000896853198 583839952 /nfs/dbraw/zinc/83/99/52/583839952.db2.gz KZULQHUJRUGYII-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000896928218 583859626 /nfs/dbraw/zinc/85/96/26/583859626.db2.gz YDLDKFGKRHLQNS-BDAKNGLRSA-N 1 2 216.281 0.069 20 0 BCADLO CONC(=O)C[NH2+]C[C@]1(C)CCCS1 ZINC000896926387 583860037 /nfs/dbraw/zinc/86/00/37/583860037.db2.gz JDIWVKHGSCQLBU-VIFPVBQESA-N 1 2 218.322 0.539 20 0 BCADLO CNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728229494 583852019 /nfs/dbraw/zinc/85/20/19/583852019.db2.gz QDUYPJRFLQTBTE-UHFFFAOYSA-N 1 2 231.365 0.191 20 0 BCADLO CNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728229494 583852021 /nfs/dbraw/zinc/85/20/21/583852021.db2.gz QDUYPJRFLQTBTE-UHFFFAOYSA-N 1 2 231.365 0.191 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCCSCC1 ZINC000896924514 583857468 /nfs/dbraw/zinc/85/74/68/583857468.db2.gz MYERHIZAYBOGRS-QMMMGPOBSA-N 1 2 218.322 0.539 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2CCOC2)[nH+]c1C ZINC000896920288 583857473 /nfs/dbraw/zinc/85/74/73/583857473.db2.gz APKJNJUTSXJADK-VIFPVBQESA-N 1 2 223.276 0.679 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)Cc1cccs1 ZINC000896925875 583858050 /nfs/dbraw/zinc/85/80/50/583858050.db2.gz CLAYSDAKJDHDIX-MRVPVSSYSA-N 1 2 228.317 0.946 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000896928215 583859181 /nfs/dbraw/zinc/85/91/81/583859181.db2.gz XVHIYFSCDVVJNO-VIFPVBQESA-N 1 2 230.308 0.459 20 0 BCADLO Cc1[nH]c(CNC(=O)CCn2cccn2)[nH+]c1C ZINC000896927550 583859449 /nfs/dbraw/zinc/85/94/49/583859449.db2.gz KATVBYJDAQLLTB-UHFFFAOYSA-N 1 2 247.302 0.930 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCCSC1 ZINC000896926601 583860056 /nfs/dbraw/zinc/86/00/56/583860056.db2.gz ZYZQTPJHVNBGKH-ZETCQYMHSA-N 1 2 204.295 0.149 20 0 BCADLO CCN(CCC(=O)NC)c1cc(C)[nH+]cn1 ZINC000896978773 583866112 /nfs/dbraw/zinc/86/61/12/583866112.db2.gz VHEBAFYUXPJVJU-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CCO)c[nH+]1 ZINC000896998263 583868270 /nfs/dbraw/zinc/86/82/70/583868270.db2.gz AZAAJZXLTRXDBN-SECBINFHSA-N 1 2 239.319 0.814 20 0 BCADLO Cc1cc(N2CC3(C2)CCNC(=O)O3)nc[nH+]1 ZINC000897000079 583869104 /nfs/dbraw/zinc/86/91/04/583869104.db2.gz QFDOTARTJHLVHA-UHFFFAOYSA-N 1 2 234.259 0.474 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]2CO)[nH+]1 ZINC000897119718 583882531 /nfs/dbraw/zinc/88/25/31/583882531.db2.gz GPGHZRKIQQYLKI-MRVPVSSYSA-N 1 2 218.260 0.837 20 0 BCADLO CCc1cc(N2C[C@@H]3COC[C@H](C2)O3)nc(C)[nH+]1 ZINC000337816392 583918937 /nfs/dbraw/zinc/91/89/37/583918937.db2.gz OOLIXARGPJULFV-TXEJJXNPSA-N 1 2 249.314 0.951 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000858320213 588945040 /nfs/dbraw/zinc/94/50/40/588945040.db2.gz ZFZKOEOJCKMHHL-VIFPVBQESA-N 1 2 240.307 0.524 20 0 BCADLO CON(C)C(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000858320213 588945041 /nfs/dbraw/zinc/94/50/41/588945041.db2.gz ZFZKOEOJCKMHHL-VIFPVBQESA-N 1 2 240.307 0.524 20 0 BCADLO C[C@H](CC(=O)NC[C@H]1COCO1)n1cc[nH+]c1 ZINC000861980702 583959724 /nfs/dbraw/zinc/95/97/24/583959724.db2.gz IFHZYJIDOAVWTQ-ZJUUUORDSA-N 1 2 239.275 0.323 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]1CO ZINC000889152119 583969825 /nfs/dbraw/zinc/96/98/25/583969825.db2.gz MPTAXLQYJPFPPD-MWLCHTKSSA-N 1 2 235.287 0.039 20 0 BCADLO Cc1nc(N[C@H]2COC[C@@H]2C2CC2)nc(N)[nH+]1 ZINC000897450398 583985598 /nfs/dbraw/zinc/98/55/98/583985598.db2.gz IWMHKTRKSKYBBI-BDAKNGLRSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H]2COC[C@@H]2C2CC2)[nH+]1 ZINC000897450398 583985601 /nfs/dbraw/zinc/98/56/01/583985601.db2.gz IWMHKTRKSKYBBI-BDAKNGLRSA-N 1 2 235.291 0.599 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@]1(C)CO ZINC000864072444 584000230 /nfs/dbraw/zinc/00/02/30/584000230.db2.gz KQLNDNKJDKPFTC-JOYOIKCWSA-N 1 2 237.303 0.429 20 0 BCADLO COC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729445054 584014222 /nfs/dbraw/zinc/01/42/22/584014222.db2.gz MWKABKILMAZLKT-RKDXNWHRSA-N 1 2 216.281 0.452 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000729927240 584029095 /nfs/dbraw/zinc/02/90/95/584029095.db2.gz BCCLTQQZEKTPTD-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCN(C)CC1 ZINC000729927240 584029097 /nfs/dbraw/zinc/02/90/97/584029097.db2.gz BCCLTQQZEKTPTD-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO CCS(=O)(=O)CCN1CCC[N@H+](C)CC1 ZINC000729927240 584029100 /nfs/dbraw/zinc/02/91/00/584029100.db2.gz BCCLTQQZEKTPTD-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO CCS(=O)(=O)CCN1CCC[N@@H+](C)CC1 ZINC000729927240 584029103 /nfs/dbraw/zinc/02/91/03/584029103.db2.gz BCCLTQQZEKTPTD-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO Cc1n[nH]cc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897786440 584048334 /nfs/dbraw/zinc/04/83/34/584048334.db2.gz OWUPUPCZEACLKY-UHFFFAOYSA-N 1 2 234.303 0.525 20 0 BCADLO O=C1CCCN1C1C[NH+](Cc2ccccn2)C1 ZINC000897788727 584048351 /nfs/dbraw/zinc/04/83/51/584048351.db2.gz CEAXYDKKXXCJJX-UHFFFAOYSA-N 1 2 231.299 0.888 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822944 584052028 /nfs/dbraw/zinc/05/20/28/584052028.db2.gz ONSFVRUHPUGEBJ-LVEVGFFFSA-N 1 2 219.288 0.984 20 0 BCADLO CCC[C@@H]([NH2+]C[C@]1(OC)CCOC1)C(=O)OC ZINC000897834448 584053072 /nfs/dbraw/zinc/05/30/72/584053072.db2.gz PALFWYPETWGBJW-ZYHUDNBSSA-N 1 2 245.319 0.723 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897868100 584055516 /nfs/dbraw/zinc/05/55/16/584055516.db2.gz GKTIJPAXJGKDQI-NSHDSACASA-N 1 2 237.307 0.227 20 0 BCADLO O=C1NC(=O)C2(C[NH+](Cc3ccc(F)cc3)C2)N1 ZINC000897907808 584059910 /nfs/dbraw/zinc/05/99/10/584059910.db2.gz MUMFCMBPRPUVCQ-UHFFFAOYSA-N 1 2 249.245 0.220 20 0 BCADLO CC(=O)c1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC000897936901 584062289 /nfs/dbraw/zinc/06/22/89/584062289.db2.gz BVOUIEUESVDGDF-UHFFFAOYSA-N 1 2 220.276 0.747 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3nonc3c2)nn1 ZINC000897993345 584069919 /nfs/dbraw/zinc/06/99/19/584069919.db2.gz CDTTVYQIVJNHJD-UHFFFAOYSA-N 1 2 244.258 0.641 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1ccc2nonc2c1 ZINC000897990998 584072927 /nfs/dbraw/zinc/07/29/27/584072927.db2.gz IUAHXWYWSISCJI-UHFFFAOYSA-N 1 2 244.258 0.641 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCOC2)c[nH+]1 ZINC000898016072 584074696 /nfs/dbraw/zinc/07/46/96/584074696.db2.gz VFBPUUHLILEAAF-SNVBAGLBSA-N 1 2 237.303 0.832 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000898098619 584085881 /nfs/dbraw/zinc/08/58/81/584085881.db2.gz BBQDAMNQFZKULH-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)OC[C@@H]2C1 ZINC000858446885 588955819 /nfs/dbraw/zinc/95/58/19/588955819.db2.gz NLVYTEXOUNPNIS-VIFPVBQESA-N 1 2 249.270 0.731 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898188584 584094005 /nfs/dbraw/zinc/09/40/05/584094005.db2.gz NYTMKPYCIWMKPU-GXSJLCMTSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898188584 584094006 /nfs/dbraw/zinc/09/40/06/584094006.db2.gz NYTMKPYCIWMKPU-GXSJLCMTSA-N 1 2 227.283 0.633 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cn1 ZINC000898189093 584095099 /nfs/dbraw/zinc/09/50/99/584095099.db2.gz WUWKALXOKOSJLE-MNOVXSKESA-N 1 2 225.267 0.888 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cn1 ZINC000898189093 584095102 /nfs/dbraw/zinc/09/51/02/584095102.db2.gz WUWKALXOKOSJLE-MNOVXSKESA-N 1 2 225.267 0.888 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898193407 584096291 /nfs/dbraw/zinc/09/62/91/584096291.db2.gz PJHYIYRDMXQEJC-MNOVXSKESA-N 1 2 212.268 0.930 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898193407 584096292 /nfs/dbraw/zinc/09/62/92/584096292.db2.gz PJHYIYRDMXQEJC-MNOVXSKESA-N 1 2 212.268 0.930 20 0 BCADLO Cc1ccnn1CC(=O)NCCn1cc[nH+]c1 ZINC000858461035 588956985 /nfs/dbraw/zinc/95/69/85/588956985.db2.gz HAJVVWQPQGXSKS-UHFFFAOYSA-N 1 2 233.275 0.204 20 0 BCADLO CC1(C)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866184216 584115949 /nfs/dbraw/zinc/11/59/49/584115949.db2.gz LOSFRQDCYLRBFC-SECBINFHSA-N 1 2 223.276 0.702 20 0 BCADLO Cc1cnn(CC[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000730085623 584122182 /nfs/dbraw/zinc/12/21/82/584122182.db2.gz MALNNUFRBJEURI-UHFFFAOYSA-N 1 2 245.348 0.168 20 0 BCADLO Cc1cnn(CC[N@H+](C)CCS(C)(=O)=O)c1 ZINC000730085623 584122183 /nfs/dbraw/zinc/12/21/83/584122183.db2.gz MALNNUFRBJEURI-UHFFFAOYSA-N 1 2 245.348 0.168 20 0 BCADLO CSCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898486116 584139211 /nfs/dbraw/zinc/13/92/11/584139211.db2.gz QXRVCCCEOAEGBE-SECBINFHSA-N 1 2 234.340 0.900 20 0 BCADLO CSCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898486116 584139213 /nfs/dbraw/zinc/13/92/13/584139213.db2.gz QXRVCCCEOAEGBE-SECBINFHSA-N 1 2 234.340 0.900 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490553 584139711 /nfs/dbraw/zinc/13/97/11/584139711.db2.gz TVOBURLDSLLHSA-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490553 584139712 /nfs/dbraw/zinc/13/97/12/584139712.db2.gz TVOBURLDSLLHSA-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898490552 584139734 /nfs/dbraw/zinc/13/97/34/584139734.db2.gz TVOBURLDSLLHSA-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490552 584139736 /nfs/dbraw/zinc/13/97/36/584139736.db2.gz TVOBURLDSLLHSA-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488833 584139797 /nfs/dbraw/zinc/13/97/97/584139797.db2.gz JEYPGMKRSRWFRR-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488833 584139799 /nfs/dbraw/zinc/13/97/99/584139799.db2.gz JEYPGMKRSRWFRR-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccn[nH]1 ZINC000898490910 584139964 /nfs/dbraw/zinc/13/99/64/584139964.db2.gz WFJZISGVGBRWST-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccn[nH]1 ZINC000898490910 584139965 /nfs/dbraw/zinc/13/99/65/584139965.db2.gz WFJZISGVGBRWST-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488830 584139970 /nfs/dbraw/zinc/13/99/70/584139970.db2.gz JEYPGMKRSRWFRR-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488830 584139971 /nfs/dbraw/zinc/13/99/71/584139971.db2.gz JEYPGMKRSRWFRR-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCOC1 ZINC000898491342 584140012 /nfs/dbraw/zinc/14/00/12/584140012.db2.gz LYAMBPQWLSBMEW-MNOVXSKESA-N 1 2 244.310 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CCOC1 ZINC000898491342 584140013 /nfs/dbraw/zinc/14/00/13/584140013.db2.gz LYAMBPQWLSBMEW-MNOVXSKESA-N 1 2 244.310 0.573 20 0 BCADLO O=C(CCc1cnn[nH]1)N1CC([NH+]2CCCC2)C1 ZINC000898600925 584145825 /nfs/dbraw/zinc/14/58/25/584145825.db2.gz HNCGYUMMBALJGH-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO CC(C)[C@H](O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898628669 584146969 /nfs/dbraw/zinc/14/69/69/584146969.db2.gz VHHQJFCZIQXCEN-SNVBAGLBSA-N 1 2 240.307 0.236 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628673 584147024 /nfs/dbraw/zinc/14/70/24/584147024.db2.gz VKKIBANXMOBTKJ-DTWKUNHWSA-N 1 2 240.307 0.379 20 0 BCADLO COC1(C)CN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898629093 584147036 /nfs/dbraw/zinc/14/70/36/584147036.db2.gz WCKVTGBPKFLKHV-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO CCc1cc(C(=O)N2CC([NH+]3CCCC3)C2)n[nH]1 ZINC000898614567 584147039 /nfs/dbraw/zinc/14/70/39/584147039.db2.gz VTUFFTGTHXXDNY-UHFFFAOYSA-N 1 2 248.330 0.892 20 0 BCADLO CCCN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898629293 584147232 /nfs/dbraw/zinc/14/72/32/584147232.db2.gz FYMXULDZBWGCRS-UHFFFAOYSA-N 1 2 210.281 0.972 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898628667 584147292 /nfs/dbraw/zinc/14/72/92/584147292.db2.gz VHHQJFCZIQXCEN-JTQLQIEISA-N 1 2 240.307 0.236 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898628039 584147327 /nfs/dbraw/zinc/14/73/27/584147327.db2.gz PNKDPIOCBPQVIS-SECBINFHSA-N 1 2 222.292 0.972 20 0 BCADLO COCC(C)(C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628079 584147353 /nfs/dbraw/zinc/14/73/53/584147353.db2.gz QAFHVHRCOJCLDM-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@](C)(O)C2)c1 ZINC000898620254 584147553 /nfs/dbraw/zinc/14/75/53/584147553.db2.gz KSCZBRRPSKOAPC-NSHDSACASA-N 1 2 238.291 0.086 20 0 BCADLO CC[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H](C)O ZINC000898619219 584147915 /nfs/dbraw/zinc/14/79/15/584147915.db2.gz HQSYDSDAFXYRBO-WCBMZHEXSA-N 1 2 240.307 0.379 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898619915 584147947 /nfs/dbraw/zinc/14/79/47/584147947.db2.gz RMCIMTUYWDPYFR-JTQLQIEISA-N 1 2 240.307 0.332 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882971 584163684 /nfs/dbraw/zinc/16/36/84/584163684.db2.gz FELFTBFQSJNIPR-IUCAKERBSA-N 1 2 225.292 0.616 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCC1CC1 ZINC000898883767 584164328 /nfs/dbraw/zinc/16/43/28/584164328.db2.gz KPMSNBDUZGQJQI-JTQLQIEISA-N 1 2 237.303 0.760 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898881289 584164570 /nfs/dbraw/zinc/16/45/70/584164570.db2.gz KBRACGMWITZYRI-VGMNWLOBSA-N 1 2 223.276 0.226 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC=CCC1 ZINC000898881340 584164632 /nfs/dbraw/zinc/16/46/32/584164632.db2.gz LBIJLUMICKWTAC-GHMZBOCLSA-N 1 2 249.314 0.926 20 0 BCADLO CC(C)(CNC(=O)c1ncccn1)n1cc[nH+]c1 ZINC000898901913 584164891 /nfs/dbraw/zinc/16/48/91/584164891.db2.gz ISWGHUUIQQVFSW-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO Cc1nonc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898902740 584165072 /nfs/dbraw/zinc/16/50/72/584165072.db2.gz SWIXGWUXQXWXJL-UHFFFAOYSA-N 1 2 249.274 0.740 20 0 BCADLO Cc1ccoc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882482 584165188 /nfs/dbraw/zinc/16/51/88/584165188.db2.gz XYFKGDUCXWJFFM-SECBINFHSA-N 1 2 249.270 0.785 20 0 BCADLO O=c1[nH]n(C2CC[NH2+]CC2)c(=O)c2c1CCCC2 ZINC000899363371 584204796 /nfs/dbraw/zinc/20/47/96/584204796.db2.gz LMNJAEIAUQFHPP-UHFFFAOYSA-N 1 2 249.314 0.752 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H]2COC)nn1 ZINC000899868181 584243739 /nfs/dbraw/zinc/24/37/39/584243739.db2.gz DFHLHKCJVZTNTJ-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H]2COC)nn1 ZINC000899868181 584243741 /nfs/dbraw/zinc/24/37/41/584243741.db2.gz DFHLHKCJVZTNTJ-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO O[C@H](C[NH+]1CC(OC(F)F)C1)C1(O)CCC1 ZINC000899883521 584246627 /nfs/dbraw/zinc/24/66/27/584246627.db2.gz OJYZYIDNVQQEDU-MRVPVSSYSA-N 1 2 237.246 0.186 20 0 BCADLO CCn1cc(C[N@@H+]2CC=C[C@H]2CO)nn1 ZINC000899888593 584247294 /nfs/dbraw/zinc/24/72/94/584247294.db2.gz ODNFAAQSWCUTTL-JTQLQIEISA-N 1 2 208.265 0.031 20 0 BCADLO CCn1cc(C[N@H+]2CC=C[C@H]2CO)nn1 ZINC000899888593 584247295 /nfs/dbraw/zinc/24/72/95/584247295.db2.gz ODNFAAQSWCUTTL-JTQLQIEISA-N 1 2 208.265 0.031 20 0 BCADLO C/C(=C/C(=O)N1CCCC1)C[NH+]1CCOCC1 ZINC000899908344 584248586 /nfs/dbraw/zinc/24/85/86/584248586.db2.gz XIKQXKZENGHJHH-BENRWUELSA-N 1 2 238.331 0.887 20 0 BCADLO C/C(=C/C(=O)NC1CC1)C[NH+]1CCOCC1 ZINC000899926402 584255369 /nfs/dbraw/zinc/25/53/69/584255369.db2.gz GLMCKAVDPMPVOP-NTMALXAHSA-N 1 2 224.304 0.544 20 0 BCADLO CCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899932173 584255987 /nfs/dbraw/zinc/25/59/87/584255987.db2.gz FRMGIWHKLOLMJW-PKNBQFBNSA-N 1 2 226.320 0.791 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000899921465 584256568 /nfs/dbraw/zinc/25/65/68/584256568.db2.gz XJTAOQFURSXKOZ-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO COC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000899934620 584257878 /nfs/dbraw/zinc/25/78/78/584257878.db2.gz BXFBHOIWLDPKOI-VIFPVBQESA-N 1 2 223.276 0.645 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccco1 ZINC000899971772 584260410 /nfs/dbraw/zinc/26/04/10/584260410.db2.gz HASUHVXUIVJHNC-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCc1ccco1 ZINC000899971772 584260413 /nfs/dbraw/zinc/26/04/13/584260413.db2.gz HASUHVXUIVJHNC-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(F)(F)F ZINC000900100906 584271044 /nfs/dbraw/zinc/27/10/44/584271044.db2.gz MPSAPRBCIYWMQL-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(F)(F)F ZINC000900100906 584271046 /nfs/dbraw/zinc/27/10/46/584271046.db2.gz MPSAPRBCIYWMQL-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C(=O)N(Cc2cn(C)c[nH+]2)C(=O)N1C1CC1 ZINC000900157877 584280522 /nfs/dbraw/zinc/28/05/22/584280522.db2.gz NPYQVADQIUQICK-MRVPVSSYSA-N 1 2 248.286 0.735 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000900158726 584280658 /nfs/dbraw/zinc/28/06/58/584280658.db2.gz VXHTYNYBFLUMFQ-GFCCVEGCSA-N 1 2 248.286 0.641 20 0 BCADLO CCC[C@@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157854 584280767 /nfs/dbraw/zinc/28/07/67/584280767.db2.gz NCZOJSRBIYUQMM-VIFPVBQESA-N 1 2 236.275 0.641 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000900193917 584284666 /nfs/dbraw/zinc/28/46/66/584284666.db2.gz USKZVMCLNOWENP-ZJUUUORDSA-N 1 2 225.292 0.406 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCCOCC1 ZINC000900430152 584308386 /nfs/dbraw/zinc/30/83/86/584308386.db2.gz PUEGVKNSINVIIN-UHFFFAOYSA-N 1 2 235.287 0.742 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)CCF)CCO1 ZINC000900486267 584316578 /nfs/dbraw/zinc/31/65/78/584316578.db2.gz UPMVUIAHYZBVHU-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449510 584311881 /nfs/dbraw/zinc/31/18/81/584311881.db2.gz SUBXIAZXWMPXQQ-DLGQBQFBSA-N 1 2 249.314 0.984 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)CCF)CCO1 ZINC000900486267 584316577 /nfs/dbraw/zinc/31/65/77/584316577.db2.gz UPMVUIAHYZBVHU-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CN(C[C@H]1CCCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900624184 584332796 /nfs/dbraw/zinc/33/27/96/584332796.db2.gz NMQUBIZSCJLWJU-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO CC1CC(Cn2cc(C[N@H+](C)CCO)nn2)C1 ZINC000900648989 584336046 /nfs/dbraw/zinc/33/60/46/584336046.db2.gz APEQUBSOWSOXCN-UHFFFAOYSA-N 1 2 238.335 0.748 20 0 BCADLO CC1CC(Cn2cc(C[N@@H+](C)CCO)nn2)C1 ZINC000900648989 584336047 /nfs/dbraw/zinc/33/60/47/584336047.db2.gz APEQUBSOWSOXCN-UHFFFAOYSA-N 1 2 238.335 0.748 20 0 BCADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000900698148 584341813 /nfs/dbraw/zinc/34/18/13/584341813.db2.gz JXIHKTBRBHSEOS-NSHDSACASA-N 1 2 223.276 0.495 20 0 BCADLO C[C@@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCOC1 ZINC000900698148 584341814 /nfs/dbraw/zinc/34/18/14/584341814.db2.gz JXIHKTBRBHSEOS-NSHDSACASA-N 1 2 223.276 0.495 20 0 BCADLO CCn1cc(CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900719979 584344440 /nfs/dbraw/zinc/34/44/40/584344440.db2.gz CHEWDSOBONVCCR-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCn1cc(CNC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900719979 584344441 /nfs/dbraw/zinc/34/44/41/584344441.db2.gz CHEWDSOBONVCCR-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900784692 584351153 /nfs/dbraw/zinc/35/11/53/584351153.db2.gz XDZSLIGPWSNVAO-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900784692 584351155 /nfs/dbraw/zinc/35/11/55/584351155.db2.gz XDZSLIGPWSNVAO-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)c1cnn(C)c1 ZINC000900808606 584354467 /nfs/dbraw/zinc/35/44/67/584354467.db2.gz HYSJQEOJSZOUKT-UHFFFAOYSA-N 1 2 245.286 0.890 20 0 BCADLO C/C=C(/C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900813428 584354513 /nfs/dbraw/zinc/35/45/13/584354513.db2.gz YZJVNKHTUNKJSO-LIPIYFLUSA-N 1 2 239.363 0.703 20 0 BCADLO C/C=C(/C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900813428 584354516 /nfs/dbraw/zinc/35/45/16/584354516.db2.gz YZJVNKHTUNKJSO-LIPIYFLUSA-N 1 2 239.363 0.703 20 0 BCADLO C/C=C(/C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900813423 584354583 /nfs/dbraw/zinc/35/45/83/584354583.db2.gz YZJVNKHTUNKJSO-CIYHXPSUSA-N 1 2 239.363 0.703 20 0 BCADLO C/C=C(/C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900813423 584354585 /nfs/dbraw/zinc/35/45/85/584354585.db2.gz YZJVNKHTUNKJSO-CIYHXPSUSA-N 1 2 239.363 0.703 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900857887 584357871 /nfs/dbraw/zinc/35/78/71/584357871.db2.gz ZIEPAGRHRXZVEL-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900857887 584357873 /nfs/dbraw/zinc/35/78/73/584357873.db2.gz ZIEPAGRHRXZVEL-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900865872 584362704 /nfs/dbraw/zinc/36/27/04/584362704.db2.gz YMTUFRAKWBYDDJ-ONGXEEELSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(OCC(F)F)C1 ZINC000900936861 584367360 /nfs/dbraw/zinc/36/73/60/584367360.db2.gz IJNMZUYMJHRQRG-UHFFFAOYSA-N 1 2 245.229 0.445 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCSC1 ZINC000900954575 584370650 /nfs/dbraw/zinc/37/06/50/584370650.db2.gz MEVJQQNVWJPBGO-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCCSC1 ZINC000900954575 584370653 /nfs/dbraw/zinc/37/06/53/584370653.db2.gz MEVJQQNVWJPBGO-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cn(C)c(=O)[nH]2)[nH+]c1C ZINC000901001137 584373244 /nfs/dbraw/zinc/37/32/44/584373244.db2.gz TVFVJYVGFQQESZ-UHFFFAOYSA-N 1 2 249.274 0.396 20 0 BCADLO COC[C@@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900997915 584375054 /nfs/dbraw/zinc/37/50/54/584375054.db2.gz POHNHGGMLZEAIS-LLVKDONJSA-N 1 2 241.291 0.040 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000900995165 584375065 /nfs/dbraw/zinc/37/50/65/584375065.db2.gz VKIFAFXATOZSHX-UWVGGRQHSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1(C)C ZINC000900995165 584375066 /nfs/dbraw/zinc/37/50/66/584375066.db2.gz VKIFAFXATOZSHX-UWVGGRQHSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(CCOC2)C1 ZINC000901017707 584376660 /nfs/dbraw/zinc/37/66/60/584376660.db2.gz JHUMBOCCCFHMFB-LBPRGKRZSA-N 1 2 235.287 0.591 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCS1 ZINC000901018453 584377614 /nfs/dbraw/zinc/37/76/14/584377614.db2.gz QXJFRLRSWSAFBO-SECBINFHSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CCCS1 ZINC000901018453 584377615 /nfs/dbraw/zinc/37/76/15/584377615.db2.gz QXJFRLRSWSAFBO-SECBINFHSA-N 1 2 225.317 0.964 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901072065 584378131 /nfs/dbraw/zinc/37/81/31/584378131.db2.gz CDBZPZKQOPZERR-SCZZXKLOSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901072065 584378132 /nfs/dbraw/zinc/37/81/32/584378132.db2.gz CDBZPZKQOPZERR-SCZZXKLOSA-N 1 2 225.292 0.475 20 0 BCADLO CC1(O)CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000901047296 584378656 /nfs/dbraw/zinc/37/86/56/584378656.db2.gz AXUSHFSDYNBTFD-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO CC(C)[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901071924 584379131 /nfs/dbraw/zinc/37/91/31/584379131.db2.gz BOEIYWBLEPOQPV-SECBINFHSA-N 1 2 211.265 0.085 20 0 BCADLO CC(C)[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901071924 584379133 /nfs/dbraw/zinc/37/91/33/584379133.db2.gz BOEIYWBLEPOQPV-SECBINFHSA-N 1 2 211.265 0.085 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901079651 584382079 /nfs/dbraw/zinc/38/20/79/584382079.db2.gz YVBYLSDEMATAMW-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901079651 584382080 /nfs/dbraw/zinc/38/20/80/584382080.db2.gz YVBYLSDEMATAMW-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H]1N(C(=O)Cc2c[nH+]c[nH]2)CCOC1(C)C ZINC000901089016 584383539 /nfs/dbraw/zinc/38/35/39/584383539.db2.gz MUIJZCZYTILFKC-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO CS[C@@H](CO)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901094285 584384155 /nfs/dbraw/zinc/38/41/55/584384155.db2.gz CKEPZVOWHZHZJJ-APPZFPTMSA-N 1 2 243.332 0.181 20 0 BCADLO CS[C@@H](CO)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901094285 584384156 /nfs/dbraw/zinc/38/41/56/584384156.db2.gz CKEPZVOWHZHZJJ-APPZFPTMSA-N 1 2 243.332 0.181 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H](CCO)C1CC1 ZINC000901093942 584384247 /nfs/dbraw/zinc/38/42/47/584384247.db2.gz LKKAGORVLNZLTJ-LLVKDONJSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]c[nH]2)c(=O)n(C)c1 ZINC000901107915 584385431 /nfs/dbraw/zinc/38/54/31/584385431.db2.gz DNELZBYLQKKYET-UHFFFAOYSA-N 1 2 246.270 0.598 20 0 BCADLO C/C=C\[C@@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901119897 584386602 /nfs/dbraw/zinc/38/66/02/584386602.db2.gz VTZIXGPUIOPNPH-USEMIUTHSA-N 1 2 237.303 0.669 20 0 BCADLO Cc1cc(C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)[nH]n1 ZINC000901122905 584387241 /nfs/dbraw/zinc/38/72/41/584387241.db2.gz NIJUGRJVMWWTQP-MRVPVSSYSA-N 1 2 247.302 0.731 20 0 BCADLO CC(C)(C)C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901157952 584388961 /nfs/dbraw/zinc/38/89/61/584388961.db2.gz OACGTRDIHZKISI-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)C[C@H](CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901157952 584388963 /nfs/dbraw/zinc/38/89/63/584388963.db2.gz OACGTRDIHZKISI-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(O)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901159364 584389116 /nfs/dbraw/zinc/38/91/16/584389116.db2.gz VAEDBQFGNOKZDV-JTQLQIEISA-N 1 2 237.303 0.714 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901146552 584390991 /nfs/dbraw/zinc/39/09/91/584390991.db2.gz ANUKTSVJCROHMM-AEYKPDCFSA-N 1 2 235.287 0.320 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000901146552 584390992 /nfs/dbraw/zinc/39/09/92/584390992.db2.gz ANUKTSVJCROHMM-AEYKPDCFSA-N 1 2 235.287 0.320 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC1(CO)CC1 ZINC000901198685 584398237 /nfs/dbraw/zinc/39/82/37/584398237.db2.gz PLHKTLACDBQLRZ-UHFFFAOYSA-N 1 2 235.287 0.686 20 0 BCADLO C[C@@H]1COCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901200301 584398325 /nfs/dbraw/zinc/39/83/25/584398325.db2.gz FUWFDMNWPXURBC-NSHDSACASA-N 1 2 249.314 0.988 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000901239494 584406490 /nfs/dbraw/zinc/40/64/90/584406490.db2.gz DQJQCQUBIQYQLG-PSASIEDQSA-N 1 2 223.276 0.182 20 0 BCADLO CC[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1O ZINC000901240547 584406730 /nfs/dbraw/zinc/40/67/30/584406730.db2.gz JCVZWFCKCHCCMY-GHMZBOCLSA-N 1 2 249.314 0.723 20 0 BCADLO CC[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000901240548 584406991 /nfs/dbraw/zinc/40/69/91/584406991.db2.gz JCVZWFCKCHCCMY-MNOVXSKESA-N 1 2 249.314 0.723 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1(CO)CCCC1 ZINC000901221996 584411001 /nfs/dbraw/zinc/41/10/01/584411001.db2.gz QLNDTKUFYXXCDE-UHFFFAOYSA-N 1 2 249.314 0.915 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CNc1cccc[nH+]1 ZINC000901223440 584411381 /nfs/dbraw/zinc/41/13/81/584411381.db2.gz CFFQBPOSCOVCHJ-LBPRGKRZSA-N 1 2 237.303 0.771 20 0 BCADLO CCCOC(=O)N1CC[NH+](CCOC)CC1 ZINC000858885826 588982070 /nfs/dbraw/zinc/98/20/70/588982070.db2.gz DHHUIVQRXHLMQA-UHFFFAOYSA-N 1 2 230.308 0.797 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000901306631 584420669 /nfs/dbraw/zinc/42/06/69/584420669.db2.gz SPKCVCLBWUJENK-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901306631 584420670 /nfs/dbraw/zinc/42/06/70/584420670.db2.gz SPKCVCLBWUJENK-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N1CC(=O)N(C)C1 ZINC000901326335 584430640 /nfs/dbraw/zinc/43/06/40/584430640.db2.gz GUOAIJZCHVKMCY-UHFFFAOYSA-N 1 2 248.286 0.303 20 0 BCADLO CN(C)c1[nH+]cc(C[NH2+]C(C)(C)C(=O)[O-])n1C ZINC000901490854 584452861 /nfs/dbraw/zinc/45/28/61/584452861.db2.gz YRYJWRZFDQDLAM-UHFFFAOYSA-N 1 2 240.307 0.439 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC000901597267 584467896 /nfs/dbraw/zinc/46/78/96/584467896.db2.gz VEQDZRQITDDYJY-KCJUWKMLSA-N 1 2 240.303 0.054 20 0 BCADLO C=CC(=O)N(C)CC(=O)Nc1c[nH+]ccc1OC ZINC000858938384 588986301 /nfs/dbraw/zinc/98/63/01/588986301.db2.gz AXXNINBKYDPHTD-UHFFFAOYSA-N 1 2 249.270 0.673 20 0 BCADLO C[N@H+](Cn1nnc(-c2cscn2)n1)C1CC1 ZINC000902048890 584516901 /nfs/dbraw/zinc/51/69/01/584516901.db2.gz KGCOBOZHNUHVKG-UHFFFAOYSA-N 1 2 236.304 0.848 20 0 BCADLO C[N@@H+](Cn1nnc(-c2cscn2)n1)C1CC1 ZINC000902048890 584516903 /nfs/dbraw/zinc/51/69/03/584516903.db2.gz KGCOBOZHNUHVKG-UHFFFAOYSA-N 1 2 236.304 0.848 20 0 BCADLO CC1(C)C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902054223 584518354 /nfs/dbraw/zinc/51/83/54/584518354.db2.gz VEEYKXCQDSKUJA-UWVGGRQHSA-N 1 2 224.304 0.533 20 0 BCADLO CC1(C)C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902054223 584518356 /nfs/dbraw/zinc/51/83/56/584518356.db2.gz VEEYKXCQDSKUJA-UWVGGRQHSA-N 1 2 224.304 0.533 20 0 BCADLO Cc1[nH]c(CN=c2nc[nH]n2C)[nH+]c1C ZINC000902054440 584518451 /nfs/dbraw/zinc/51/84/51/584518451.db2.gz ZJFYDHUBLDQBDK-UHFFFAOYSA-N 1 2 206.253 0.189 20 0 BCADLO Cn1cc(C[N@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cn1 ZINC000902054510 584518529 /nfs/dbraw/zinc/51/85/29/584518529.db2.gz HBHSPCJSADCWCY-QWRGUYRKSA-N 1 2 234.303 0.288 20 0 BCADLO Cn1cc(C[N@@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cn1 ZINC000902054510 584518531 /nfs/dbraw/zinc/51/85/31/584518531.db2.gz HBHSPCJSADCWCY-QWRGUYRKSA-N 1 2 234.303 0.288 20 0 BCADLO C[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CC(C)(C)O1 ZINC000902076856 584520572 /nfs/dbraw/zinc/52/05/72/584520572.db2.gz BCGVOVKXPCUOIX-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CC(C)(C)O1 ZINC000902076856 584520574 /nfs/dbraw/zinc/52/05/74/584520574.db2.gz BCGVOVKXPCUOIX-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO C[N@H+](CN1CCOC1=O)[C@@H]1CCOC1 ZINC000902122925 584528731 /nfs/dbraw/zinc/52/87/31/584528731.db2.gz ZTHQZYMBDFJUAP-MRVPVSSYSA-N 1 2 200.238 0.117 20 0 BCADLO C[N@@H+](CN1CCOC1=O)[C@@H]1CCOC1 ZINC000902122925 584528733 /nfs/dbraw/zinc/52/87/33/584528733.db2.gz ZTHQZYMBDFJUAP-MRVPVSSYSA-N 1 2 200.238 0.117 20 0 BCADLO CC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902126628 584529235 /nfs/dbraw/zinc/52/92/35/584529235.db2.gz IKOURAWSPIQLJI-YFKTTZPYSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902126628 584529237 /nfs/dbraw/zinc/52/92/37/584529237.db2.gz IKOURAWSPIQLJI-YFKTTZPYSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)C[C@H](C)O1 ZINC000902127811 584529358 /nfs/dbraw/zinc/52/93/58/584529358.db2.gz XJTGFLOZXMVYKK-VHSXEESVSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)C[C@H](C)O1 ZINC000902127811 584529359 /nfs/dbraw/zinc/52/93/59/584529359.db2.gz XJTGFLOZXMVYKK-VHSXEESVSA-N 1 2 228.292 0.895 20 0 BCADLO C[N@H+](CCOCC1CC1)CN1CCOC1=O ZINC000902184138 584533007 /nfs/dbraw/zinc/53/30/07/584533007.db2.gz NJXBJABFYCVGLB-UHFFFAOYSA-N 1 2 228.292 0.755 20 0 BCADLO C[N@@H+](CCOCC1CC1)CN1CCOC1=O ZINC000902184138 584533008 /nfs/dbraw/zinc/53/30/08/584533008.db2.gz NJXBJABFYCVGLB-UHFFFAOYSA-N 1 2 228.292 0.755 20 0 BCADLO Nc1ccc(CN2C(=O)[C@H]3CCCN3C2=O)c[nH+]1 ZINC000902182824 584533275 /nfs/dbraw/zinc/53/32/75/584533275.db2.gz QUVSSEBAXJPGKY-SECBINFHSA-N 1 2 246.270 0.590 20 0 BCADLO O=C1N(C[N@H+]2CC=CCC2)C[C@@]12CCCOC2 ZINC000902213972 584535790 /nfs/dbraw/zinc/53/57/90/584535790.db2.gz RKAPQZPBBMCNPE-CYBMUJFWSA-N 1 2 236.315 0.845 20 0 BCADLO O=C1N(C[N@@H+]2CC=CCC2)C[C@@]12CCCOC2 ZINC000902213972 584535791 /nfs/dbraw/zinc/53/57/91/584535791.db2.gz RKAPQZPBBMCNPE-CYBMUJFWSA-N 1 2 236.315 0.845 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCOCC2(CC2)C1 ZINC000902217932 584539436 /nfs/dbraw/zinc/53/94/36/584539436.db2.gz VIGUNZGBZSAZOT-UHFFFAOYSA-N 1 2 226.276 0.509 20 0 BCADLO O=C1OCCN1C[N@H+]1CCOCC2(CC2)C1 ZINC000902217932 584539437 /nfs/dbraw/zinc/53/94/37/584539437.db2.gz VIGUNZGBZSAZOT-UHFFFAOYSA-N 1 2 226.276 0.509 20 0 BCADLO COCCO[C@H]1CC[N@H+](CN2CCOC2=O)C1 ZINC000902230349 584541804 /nfs/dbraw/zinc/54/18/04/584541804.db2.gz GOECATNINAPMKG-JTQLQIEISA-N 1 2 244.291 0.133 20 0 BCADLO COCCO[C@H]1CC[N@@H+](CN2CCOC2=O)C1 ZINC000902230349 584541806 /nfs/dbraw/zinc/54/18/06/584541806.db2.gz GOECATNINAPMKG-JTQLQIEISA-N 1 2 244.291 0.133 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902279086 584546921 /nfs/dbraw/zinc/54/69/21/584546921.db2.gz KLPRSISKFSTNTF-GUBZILKMSA-N 1 2 210.277 0.143 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902279086 584546922 /nfs/dbraw/zinc/54/69/22/584546922.db2.gz KLPRSISKFSTNTF-GUBZILKMSA-N 1 2 210.277 0.143 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCOC1CC1 ZINC000902279744 584547307 /nfs/dbraw/zinc/54/73/07/584547307.db2.gz ACQGWBWAUHFXLO-ZETCQYMHSA-N 1 2 202.254 0.699 20 0 BCADLO CCn1ncc(CO[NH+]=C(N)[C@@H](C)OC)n1 ZINC000902280418 584547390 /nfs/dbraw/zinc/54/73/90/584547390.db2.gz FCSWXTQLBKPBOL-SSDOTTSWSA-N 1 2 227.268 0.331 20 0 BCADLO O=C1OCCN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000902284696 584547753 /nfs/dbraw/zinc/54/77/53/584547753.db2.gz BFRNETMTBJBJOD-VIFPVBQESA-N 1 2 236.218 0.098 20 0 BCADLO O=C1OCCN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000902284696 584547754 /nfs/dbraw/zinc/54/77/54/584547754.db2.gz BFRNETMTBJBJOD-VIFPVBQESA-N 1 2 236.218 0.098 20 0 BCADLO CN(C)c1ccc(CO[NH+]=C(N)CCO)cn1 ZINC000902331218 584562444 /nfs/dbraw/zinc/56/24/44/584562444.db2.gz FBPRIHKBRYRESY-UHFFFAOYSA-N 1 2 238.291 0.528 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000902332359 584563067 /nfs/dbraw/zinc/56/30/67/584563067.db2.gz FANBKGPTHZPXJP-WISYIIOYSA-N 1 2 236.315 0.676 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000902332359 584563068 /nfs/dbraw/zinc/56/30/68/584563068.db2.gz FANBKGPTHZPXJP-WISYIIOYSA-N 1 2 236.315 0.676 20 0 BCADLO Cc1cc(CO[NH+]=C(N)CCO)c(C)nn1 ZINC000902332688 584563143 /nfs/dbraw/zinc/56/31/43/584563143.db2.gz MSWGGVPCWNERNP-UHFFFAOYSA-N 1 2 224.264 0.474 20 0 BCADLO CC(=O)C1CC[NH+](CN2C[C@@H]3C[C@@H]3C2=O)CC1 ZINC000902358457 584570667 /nfs/dbraw/zinc/57/06/67/584570667.db2.gz BXJOHPLQXCTBAC-RYUDHWBXSA-N 1 2 236.315 0.723 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859060773 588995381 /nfs/dbraw/zinc/99/53/81/588995381.db2.gz YENUHUBHQKSUBE-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859060773 588995382 /nfs/dbraw/zinc/99/53/82/588995382.db2.gz YENUHUBHQKSUBE-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)CO)C(C)C ZINC000902534933 584633850 /nfs/dbraw/zinc/63/38/50/584633850.db2.gz GXAZRHZSRUDNDO-QMMMGPOBSA-N 1 2 204.270 0.396 20 0 BCADLO CCn1c[nH+]c2c1CCN(CN1CCC1=O)C2 ZINC000902558881 584634590 /nfs/dbraw/zinc/63/45/90/584634590.db2.gz QXWGFPZOPQCDQB-UHFFFAOYSA-N 1 2 234.303 0.451 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)OCCF ZINC000859099489 589001404 /nfs/dbraw/zinc/00/14/04/589001404.db2.gz PHNGCNVGRRAEEW-UHFFFAOYSA-N 1 2 201.201 0.616 20 0 BCADLO CN(C)C(=O)NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902605152 584642461 /nfs/dbraw/zinc/64/24/61/584642461.db2.gz RXBHMHTXIWRNNY-AOOOYVTPSA-N 1 2 243.307 0.052 20 0 BCADLO CN(C)C(=O)NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902605152 584642463 /nfs/dbraw/zinc/64/24/63/584642463.db2.gz RXBHMHTXIWRNNY-AOOOYVTPSA-N 1 2 243.307 0.052 20 0 BCADLO CON1CC[C@@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000902617785 584644163 /nfs/dbraw/zinc/64/41/63/584644163.db2.gz QYNMDFCXRPOUBM-SNVBAGLBSA-N 1 2 249.270 0.695 20 0 BCADLO CCc1noc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000902618176 584644273 /nfs/dbraw/zinc/64/42/73/584644273.db2.gz VKLQSMCHVHAGNP-QMMMGPOBSA-N 1 2 249.274 0.647 20 0 BCADLO CCn1c[nH+]c(CNc2nnn(C)c2C)c1 ZINC000902641845 584645367 /nfs/dbraw/zinc/64/53/67/584645367.db2.gz BKNIGNNXMBNKEX-UHFFFAOYSA-N 1 2 220.280 0.952 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1nccc1-c1cccnc1 ZINC000902631312 584646719 /nfs/dbraw/zinc/64/67/19/584646719.db2.gz GUUUDSWOELBKLE-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1nccc1-c1cccnc1 ZINC000902631312 584646721 /nfs/dbraw/zinc/64/67/21/584646721.db2.gz GUUUDSWOELBKLE-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1nccc1-c1cccnc1 ZINC000902631311 584646894 /nfs/dbraw/zinc/64/68/94/584646894.db2.gz GUUUDSWOELBKLE-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1nccc1-c1cccnc1 ZINC000902631311 584646895 /nfs/dbraw/zinc/64/68/95/584646895.db2.gz GUUUDSWOELBKLE-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631685 584647022 /nfs/dbraw/zinc/64/70/22/584647022.db2.gz IJGOELRISDOQAU-MNOVXSKESA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631685 584647023 /nfs/dbraw/zinc/64/70/23/584647023.db2.gz IJGOELRISDOQAU-MNOVXSKESA-N 1 2 226.320 0.515 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CC[C@@H]1CO ZINC000902633962 584647575 /nfs/dbraw/zinc/64/75/75/584647575.db2.gz YWTAJXUFMXXAQN-HTQZYQBOSA-N 1 2 234.246 0.124 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902633962 584647576 /nfs/dbraw/zinc/64/75/76/584647576.db2.gz YWTAJXUFMXXAQN-HTQZYQBOSA-N 1 2 234.246 0.124 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902633375 584647604 /nfs/dbraw/zinc/64/76/04/584647604.db2.gz ULFFCEAISYWRLR-CABZTGNLSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902633375 584647605 /nfs/dbraw/zinc/64/76/05/584647605.db2.gz ULFFCEAISYWRLR-CABZTGNLSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902633938 584647621 /nfs/dbraw/zinc/64/76/21/584647621.db2.gz YIESAKBUNKRVKL-CMPLNLGQSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902633938 584647622 /nfs/dbraw/zinc/64/76/22/584647622.db2.gz YIESAKBUNKRVKL-CMPLNLGQSA-N 1 2 226.320 0.659 20 0 BCADLO O=C1N(C[N@H+]2CC[C@@H]2CO)C[C@H]2CCCCN12 ZINC000902634568 584648107 /nfs/dbraw/zinc/64/81/07/584648107.db2.gz MSRWABOUMLDUIE-GHMZBOCLSA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@@H]2CO)C[C@H]2CCCCN12 ZINC000902634568 584648110 /nfs/dbraw/zinc/64/81/10/584648110.db2.gz MSRWABOUMLDUIE-GHMZBOCLSA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@H+]2CC[C@@H]2CO)C[C@@H]2CCCCN12 ZINC000902634571 584648226 /nfs/dbraw/zinc/64/82/26/584648226.db2.gz MSRWABOUMLDUIE-WDEREUQCSA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@@H]2CO)C[C@@H]2CCCCN12 ZINC000902634571 584648227 /nfs/dbraw/zinc/64/82/27/584648227.db2.gz MSRWABOUMLDUIE-WDEREUQCSA-N 1 2 239.319 0.301 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1c[nH+]c[nH]1 ZINC000902664579 584653469 /nfs/dbraw/zinc/65/34/69/584653469.db2.gz YQSNCEALAZELMJ-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1c[nH]c[nH+]1 ZINC000902664579 584653471 /nfs/dbraw/zinc/65/34/71/584653471.db2.gz YQSNCEALAZELMJ-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO CCc1noc(C(=O)N[C@H]2CCn3cc[nH+]c32)n1 ZINC000902683596 584655972 /nfs/dbraw/zinc/65/59/72/584655972.db2.gz NINSPUXRCPBQAB-ZETCQYMHSA-N 1 2 247.258 0.703 20 0 BCADLO CCn1cc(CO[NH+]=C(N)[C@H]2CCCO2)nn1 ZINC000902738447 584662573 /nfs/dbraw/zinc/66/25/73/584662573.db2.gz GFOXEBWKUISETB-SECBINFHSA-N 1 2 239.279 0.475 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000859072688 588997140 /nfs/dbraw/zinc/99/71/40/588997140.db2.gz PARNYIIYAIOUEL-NXEZZACHSA-N 1 2 230.308 0.842 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000859072688 588997142 /nfs/dbraw/zinc/99/71/42/588997142.db2.gz PARNYIIYAIOUEL-NXEZZACHSA-N 1 2 230.308 0.842 20 0 BCADLO C[C@H]1CCS(=O)(=O)N1Cc1ccc[nH+]c1N ZINC000902851380 584682749 /nfs/dbraw/zinc/68/27/49/584682749.db2.gz RTONZTAFNWHVKR-QMMMGPOBSA-N 1 2 241.316 0.588 20 0 BCADLO Nc1[nH+]cccc1CNC(=O)OC1COC1 ZINC000902943900 584696129 /nfs/dbraw/zinc/69/61/29/584696129.db2.gz WJBCKHOMZUDIGV-UHFFFAOYSA-N 1 2 223.232 0.289 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCO)C1 ZINC000902929416 584698413 /nfs/dbraw/zinc/69/84/13/584698413.db2.gz YGDQCDYQINJVAP-SNVBAGLBSA-N 1 2 237.303 0.509 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)OC1COC1 ZINC000902941167 584701661 /nfs/dbraw/zinc/70/16/61/584701661.db2.gz NJDVFMVTQDUWFD-QMMMGPOBSA-N 1 2 223.232 0.453 20 0 BCADLO CC(C)(NC(=O)OC1COC1)c1[nH]cc[nH+]1 ZINC000902968379 584703076 /nfs/dbraw/zinc/70/30/76/584703076.db2.gz GSZFEBAUNFPEPO-UHFFFAOYSA-N 1 2 225.248 0.770 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001594 584715350 /nfs/dbraw/zinc/71/53/50/584715350.db2.gz POZXJPJDZWAELZ-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001594 584715351 /nfs/dbraw/zinc/71/53/51/584715351.db2.gz POZXJPJDZWAELZ-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO C[C@@H](O)CC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903897019 584820071 /nfs/dbraw/zinc/82/00/71/584820071.db2.gz XUULQEGQHJCRRV-SFYZADRCSA-N 1 2 210.268 0.672 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903897019 584820072 /nfs/dbraw/zinc/82/00/72/584820072.db2.gz XUULQEGQHJCRRV-SFYZADRCSA-N 1 2 210.268 0.672 20 0 BCADLO C[N@H+](Cc1ccc(N)nn1)[C@@H]1CCCCNC1=O ZINC000904314399 584863221 /nfs/dbraw/zinc/86/32/21/584863221.db2.gz VXGLMYKKQFZVCN-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO C[N@@H+](Cc1ccc(N)nn1)[C@@H]1CCCCNC1=O ZINC000904314399 584863222 /nfs/dbraw/zinc/86/32/22/584863222.db2.gz VXGLMYKKQFZVCN-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)OCCF)c1 ZINC000859185154 589015906 /nfs/dbraw/zinc/01/59/06/589015906.db2.gz VCZIBDPOFFFODK-UHFFFAOYSA-N 1 2 215.228 0.658 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccon1 ZINC000761085758 584909317 /nfs/dbraw/zinc/90/93/17/584909317.db2.gz CXQHABIPRCHUFK-JGVFFNPUSA-N 1 2 207.233 0.707 20 0 BCADLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1ccon1 ZINC000761085758 584909318 /nfs/dbraw/zinc/90/93/18/584909318.db2.gz CXQHABIPRCHUFK-JGVFFNPUSA-N 1 2 207.233 0.707 20 0 BCADLO Cn1ncc2c1nc(C=Cc1[nH]cc[nH+]1)[nH]c2=O ZINC000731159931 584922955 /nfs/dbraw/zinc/92/29/55/584922955.db2.gz YWOYROYDOPJOIR-IHWYPQMZSA-N 1 2 242.242 0.962 20 0 BCADLO CC[C@@H](O)CC(=O)OCC[NH+]1CCOCC1 ZINC000837809125 584938802 /nfs/dbraw/zinc/93/88/02/584938802.db2.gz MIONQSIEEDGJFJ-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CCO[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000788046807 584938986 /nfs/dbraw/zinc/93/89/86/584938986.db2.gz KMVWUBGZBFATFO-SECBINFHSA-N 1 2 226.276 0.931 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1=COCCC1 ZINC000733955645 584955319 /nfs/dbraw/zinc/95/53/19/584955319.db2.gz NTPQLESJPMEFBO-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)[O-] ZINC000736662891 585008639 /nfs/dbraw/zinc/00/86/39/585008639.db2.gz UOMKHMDAFLGVJQ-DTWKUNHWSA-N 1 2 223.276 0.823 20 0 BCADLO COC(C)(C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107637 585023668 /nfs/dbraw/zinc/02/36/68/585023668.db2.gz OEHHQHGTGLHMRC-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@](C)(O)C2CCC2)c1 ZINC000890108338 585023704 /nfs/dbraw/zinc/02/37/04/585023704.db2.gz XLOZZWLJAVCINQ-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO Cc1nonc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890113489 585024012 /nfs/dbraw/zinc/02/40/12/585024012.db2.gz GCFYTOZKUZPIHG-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N(C)CCF)CCO1 ZINC000838114751 585046232 /nfs/dbraw/zinc/04/62/32/585046232.db2.gz XAMHXCHWWBWCMH-JTQLQIEISA-N 1 2 247.314 0.318 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CCF)CCO1 ZINC000838114751 585046233 /nfs/dbraw/zinc/04/62/33/585046233.db2.gz XAMHXCHWWBWCMH-JTQLQIEISA-N 1 2 247.314 0.318 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H](O)C1CCC1 ZINC000838312046 585052890 /nfs/dbraw/zinc/05/28/90/585052890.db2.gz LMGXNFSLZFPNNJ-NSHDSACASA-N 1 2 238.287 0.977 20 0 BCADLO CCn1ncc(C[N@H+](CC)CCOC)n1 ZINC000838787593 585069942 /nfs/dbraw/zinc/06/99/42/585069942.db2.gz CRTFTUONGATNFH-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1ncc(C[N@@H+](CC)CCOC)n1 ZINC000838787593 585069943 /nfs/dbraw/zinc/06/99/43/585069943.db2.gz CRTFTUONGATNFH-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCC[N@H+](CCO)Cc1cnn(CC)n1 ZINC000838785991 585069982 /nfs/dbraw/zinc/06/99/82/585069982.db2.gz AVWZLISRLWXQIQ-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCC[N@@H+](CCO)Cc1cnn(CC)n1 ZINC000838785991 585069983 /nfs/dbraw/zinc/06/99/83/585069983.db2.gz AVWZLISRLWXQIQ-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000838790665 585070238 /nfs/dbraw/zinc/07/02/38/585070238.db2.gz IPIPJECYXCCTDC-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000838790665 585070239 /nfs/dbraw/zinc/07/02/39/585070239.db2.gz IPIPJECYXCCTDC-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCOCC[N@H+](C)Cc1cnn(CC)n1 ZINC000838996694 585085204 /nfs/dbraw/zinc/08/52/04/585085204.db2.gz NTKLXUXUQHYARW-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCOCC[N@@H+](C)Cc1cnn(CC)n1 ZINC000838996694 585085205 /nfs/dbraw/zinc/08/52/05/585085205.db2.gz NTKLXUXUQHYARW-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000839027695 585088162 /nfs/dbraw/zinc/08/81/62/585088162.db2.gz OWIPWAYYZSSPSB-APPZFPTMSA-N 1 2 223.263 0.705 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000839027695 585088163 /nfs/dbraw/zinc/08/81/63/585088163.db2.gz OWIPWAYYZSSPSB-APPZFPTMSA-N 1 2 223.263 0.705 20 0 BCADLO CCn1ncc(C[N@H+](CC)[C@H]2CCOC2)n1 ZINC000839111262 585091720 /nfs/dbraw/zinc/09/17/20/585091720.db2.gz PPLJYDDAQFQJIL-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](CC)[C@H]2CCOC2)n1 ZINC000839111262 585091721 /nfs/dbraw/zinc/09/17/21/585091721.db2.gz PPLJYDDAQFQJIL-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839147303 585092383 /nfs/dbraw/zinc/09/23/83/585092383.db2.gz HMTQTYGTTNDQOJ-GFCCVEGCSA-N 1 2 245.319 0.005 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839147303 585092384 /nfs/dbraw/zinc/09/23/84/585092384.db2.gz HMTQTYGTTNDQOJ-GFCCVEGCSA-N 1 2 245.319 0.005 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000839126537 585093313 /nfs/dbraw/zinc/09/33/13/585093313.db2.gz HNMVOMLNFMEEPS-MWLCHTKSSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000839126537 585093314 /nfs/dbraw/zinc/09/33/14/585093314.db2.gz HNMVOMLNFMEEPS-MWLCHTKSSA-N 1 2 224.308 0.643 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839169330 585096020 /nfs/dbraw/zinc/09/60/20/585096020.db2.gz HLEDVFFFYFBCLX-AXFHLTTASA-N 1 2 245.319 0.003 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839169330 585096021 /nfs/dbraw/zinc/09/60/21/585096021.db2.gz HLEDVFFFYFBCLX-AXFHLTTASA-N 1 2 245.319 0.003 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839190164 585097050 /nfs/dbraw/zinc/09/70/50/585097050.db2.gz DASXBKCMQNVEJU-KOLCDFICSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839190164 585097051 /nfs/dbraw/zinc/09/70/51/585097051.db2.gz DASXBKCMQNVEJU-KOLCDFICSA-N 1 2 222.292 0.426 20 0 BCADLO CN1CC[N@H+](C[C@H]2CC2(Cl)Cl)CC1=O ZINC000741054853 585110011 /nfs/dbraw/zinc/11/00/11/585110011.db2.gz YRBGSWKMPZGMBU-SSDOTTSWSA-N 1 2 237.130 0.954 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CC2(Cl)Cl)CC1=O ZINC000741054853 585110012 /nfs/dbraw/zinc/11/00/12/585110012.db2.gz YRBGSWKMPZGMBU-SSDOTTSWSA-N 1 2 237.130 0.954 20 0 BCADLO CC(C)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147008 585110235 /nfs/dbraw/zinc/11/02/35/585110235.db2.gz SFYOLCDLGAWIRN-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO CC(C)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147008 585110236 /nfs/dbraw/zinc/11/02/36/585110236.db2.gz SFYOLCDLGAWIRN-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO CCCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741145251 585110250 /nfs/dbraw/zinc/11/02/50/585110250.db2.gz QHTXEAXOFLNBQV-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741145251 585110251 /nfs/dbraw/zinc/11/02/51/585110251.db2.gz QHTXEAXOFLNBQV-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741288198 585112508 /nfs/dbraw/zinc/11/25/08/585112508.db2.gz GCDMHNNEDNZRDM-MRXNPFEDSA-N 1 2 246.376 0.309 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCSC)CCO1 ZINC000741386792 585113283 /nfs/dbraw/zinc/11/32/83/585113283.db2.gz HARYGSXSHPIPEL-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCSC)CCO1 ZINC000741386792 585113284 /nfs/dbraw/zinc/11/32/84/585113284.db2.gz HARYGSXSHPIPEL-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000741777118 585118248 /nfs/dbraw/zinc/11/82/48/585118248.db2.gz JSXYLTYHKSPUTG-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000741777118 585118249 /nfs/dbraw/zinc/11/82/49/585118249.db2.gz JSXYLTYHKSPUTG-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOCCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000742358752 585124714 /nfs/dbraw/zinc/12/47/14/585124714.db2.gz QJBMZLCPGKWIIY-UHFFFAOYSA-N 1 2 245.323 0.826 20 0 BCADLO Cc1cc(NC(=O)c2ncccn2)cc[nH+]1 ZINC000743293422 585134731 /nfs/dbraw/zinc/13/47/31/585134731.db2.gz YZCIEBVBQWOSBS-UHFFFAOYSA-N 1 2 214.228 0.854 20 0 BCADLO C[C@@H]1C[N@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743349456 585135750 /nfs/dbraw/zinc/13/57/50/585135750.db2.gz SWMCCQKVXLCRCM-SNVBAGLBSA-N 1 2 224.304 0.820 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743349456 585135751 /nfs/dbraw/zinc/13/57/51/585135751.db2.gz SWMCCQKVXLCRCM-SNVBAGLBSA-N 1 2 224.304 0.820 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000886464621 585137055 /nfs/dbraw/zinc/13/70/55/585137055.db2.gz AANVUZUCQATAEM-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO Cn1cnc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000886464621 585137056 /nfs/dbraw/zinc/13/70/56/585137056.db2.gz AANVUZUCQATAEM-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO S=c1[nH]ccn1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435596 585150204 /nfs/dbraw/zinc/15/02/04/585150204.db2.gz GAGARANKNPCILD-DTORHVGOSA-N 1 2 225.317 0.993 20 0 BCADLO S=c1[nH]ccn1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435596 585150205 /nfs/dbraw/zinc/15/02/05/585150205.db2.gz GAGARANKNPCILD-DTORHVGOSA-N 1 2 225.317 0.993 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000744436004 585150242 /nfs/dbraw/zinc/15/02/42/585150242.db2.gz HWKKOHZUGYTLAW-GARJFASQSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000744436004 585150243 /nfs/dbraw/zinc/15/02/43/585150243.db2.gz HWKKOHZUGYTLAW-GARJFASQSA-N 1 2 224.304 0.676 20 0 BCADLO O=C1CCCN1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436418 585150302 /nfs/dbraw/zinc/15/03/02/585150302.db2.gz MPFRIJMDRDLBFR-AOOOYVTPSA-N 1 2 210.277 0.430 20 0 BCADLO O=C1CCCN1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436418 585150303 /nfs/dbraw/zinc/15/03/03/585150303.db2.gz MPFRIJMDRDLBFR-AOOOYVTPSA-N 1 2 210.277 0.430 20 0 BCADLO COC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000744609375 585151816 /nfs/dbraw/zinc/15/18/16/585151816.db2.gz QPCFEWJHEZEHIH-QMMMGPOBSA-N 1 2 243.332 0.862 20 0 BCADLO CC(C)[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745078411 585156386 /nfs/dbraw/zinc/15/63/86/585156386.db2.gz DPSDZLZTGRWEMO-NXEZZACHSA-N 1 2 242.319 0.524 20 0 BCADLO CC(C)[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC000745078411 585156387 /nfs/dbraw/zinc/15/63/87/585156387.db2.gz DPSDZLZTGRWEMO-NXEZZACHSA-N 1 2 242.319 0.524 20 0 BCADLO CCOC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745088075 585156533 /nfs/dbraw/zinc/15/65/33/585156533.db2.gz ZZZUVJIPLXTRNN-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745088075 585156534 /nfs/dbraw/zinc/15/65/34/585156534.db2.gz ZZZUVJIPLXTRNN-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO C[N@H+](Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 ZINC000745983089 585162244 /nfs/dbraw/zinc/16/22/44/585162244.db2.gz DPJSNCDSNGNNLK-SNVBAGLBSA-N 1 2 229.301 0.899 20 0 BCADLO C[N@@H+](Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 ZINC000745983089 585162245 /nfs/dbraw/zinc/16/22/45/585162245.db2.gz DPJSNCDSNGNNLK-SNVBAGLBSA-N 1 2 229.301 0.899 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)[C@H]1CCOC1=O ZINC000745983581 585162272 /nfs/dbraw/zinc/16/22/72/585162272.db2.gz YHYPFLKJSROBSM-ZJUUUORDSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)[C@H]1CCOC1=O ZINC000745983581 585162273 /nfs/dbraw/zinc/16/22/73/585162273.db2.gz YHYPFLKJSROBSM-ZJUUUORDSA-N 1 2 213.277 0.803 20 0 BCADLO O=CNc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000746249963 585166400 /nfs/dbraw/zinc/16/64/00/585166400.db2.gz MFHBEWUVRKPXSR-UHFFFAOYSA-N 1 2 244.254 0.908 20 0 BCADLO O=C(C1=CCCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000746265229 585166544 /nfs/dbraw/zinc/16/65/44/585166544.db2.gz OHUBLDASZOXFKM-UHFFFAOYSA-N 1 2 233.271 0.961 20 0 BCADLO CC(C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470881 585168467 /nfs/dbraw/zinc/16/84/67/585168467.db2.gz SZLXTLGQNDZVSX-CQSZACIVSA-N 1 2 218.366 0.391 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000746502072 585169188 /nfs/dbraw/zinc/16/91/88/585169188.db2.gz CLHYSJKDXRQLRF-SECBINFHSA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000746502072 585169189 /nfs/dbraw/zinc/16/91/89/585169189.db2.gz CLHYSJKDXRQLRF-SECBINFHSA-N 1 2 230.308 0.506 20 0 BCADLO NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746513318 585169626 /nfs/dbraw/zinc/16/96/26/585169626.db2.gz VCUNHOQJXIWSEK-UHFFFAOYSA-N 1 2 217.232 0.436 20 0 BCADLO COC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746604310 585170758 /nfs/dbraw/zinc/17/07/58/585170758.db2.gz DXOPVMMBGOVWMY-UHFFFAOYSA-N 1 2 228.317 0.978 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746602837 585170843 /nfs/dbraw/zinc/17/08/43/585170843.db2.gz GWVGFUZUWBVRQI-MRVPVSSYSA-N 1 2 242.300 0.362 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746602837 585170844 /nfs/dbraw/zinc/17/08/44/585170844.db2.gz GWVGFUZUWBVRQI-MRVPVSSYSA-N 1 2 242.300 0.362 20 0 BCADLO Cc1cc(NC(=O)C2=COCCO2)c(C)c[nH+]1 ZINC000747112212 585175155 /nfs/dbraw/zinc/17/51/55/585175155.db2.gz LLFOQGQFLFEQKZ-UHFFFAOYSA-N 1 2 234.255 0.947 20 0 BCADLO C[C@@H](CNC(=O)c1ncccn1)Cn1cc[nH+]c1 ZINC000747401209 585178761 /nfs/dbraw/zinc/17/87/61/585178761.db2.gz SXKFGHUGCZPCAY-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO Cc1cc(NNc2cc(O)c[nH]2)nc(C)[nH+]1 ZINC000747632277 585181429 /nfs/dbraw/zinc/18/14/29/585181429.db2.gz APOLOXOWXOVRLY-UHFFFAOYSA-N 1 2 219.248 0.864 20 0 BCADLO CCC[C@@H](O)CC(=O)OCC[NH+]1CCOCC1 ZINC000747701729 585182421 /nfs/dbraw/zinc/18/24/21/585182421.db2.gz DCAATQAOXSJLOU-LLVKDONJSA-N 1 2 245.319 0.413 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000747697242 585182462 /nfs/dbraw/zinc/18/24/62/585182462.db2.gz DAOYCSGBSNDYNY-LLVKDONJSA-N 1 2 243.303 0.288 20 0 BCADLO CCC[C@H](O)CC(=O)OCC[NH+]1CCOCC1 ZINC000747701730 585182523 /nfs/dbraw/zinc/18/25/23/585182523.db2.gz DCAATQAOXSJLOU-NSHDSACASA-N 1 2 245.319 0.413 20 0 BCADLO COC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000747698681 585182568 /nfs/dbraw/zinc/18/25/68/585182568.db2.gz AVEZJROBPXABGR-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(/C=C/C1CC1)OCC[NH+]1CCOCC1 ZINC000747710631 585182794 /nfs/dbraw/zinc/18/27/94/585182794.db2.gz NSZASYDFJSXUMW-ONEGZZNKSA-N 1 2 225.288 0.828 20 0 BCADLO Cc1c(C(=O)OCc2c[nH+]cn2C)cnn1C ZINC000747781773 585184250 /nfs/dbraw/zinc/18/42/50/585184250.db2.gz MDKHUCBSLYMAML-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000747988455 585186311 /nfs/dbraw/zinc/18/63/11/585186311.db2.gz XELLAXMJRHXDLT-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000747988455 585186312 /nfs/dbraw/zinc/18/63/12/585186312.db2.gz XELLAXMJRHXDLT-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO C[C@H]1CN(C(=O)c2ccn[nH]2)CC[N@@H+]1C ZINC000747986429 585186579 /nfs/dbraw/zinc/18/65/79/585186579.db2.gz ODLSTSSMJTYNCR-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H]1CN(C(=O)c2ccn[nH]2)CC[N@H+]1C ZINC000747986429 585186580 /nfs/dbraw/zinc/18/65/80/585186580.db2.gz ODLSTSSMJTYNCR-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO COC[C@H](C)O[NH+]=C(N)COC(C)C ZINC000748097508 585186972 /nfs/dbraw/zinc/18/69/72/585186972.db2.gz MSUKPKJBHMDRIZ-QMMMGPOBSA-N 1 2 204.270 0.945 20 0 BCADLO Cc1nonc1C(=O)NCc1c[nH+]c[nH]1 ZINC000748321062 585190618 /nfs/dbraw/zinc/19/06/18/585190618.db2.gz CNCLOXBQIUISKB-UHFFFAOYSA-N 1 2 207.193 0.031 20 0 BCADLO Cc1nonc1C(=O)NCc1c[nH]c[nH+]1 ZINC000748321062 585190619 /nfs/dbraw/zinc/19/06/19/585190619.db2.gz CNCLOXBQIUISKB-UHFFFAOYSA-N 1 2 207.193 0.031 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)C1=COCCC1 ZINC000748313062 585190767 /nfs/dbraw/zinc/19/07/67/585190767.db2.gz VBGWJWIVHBGABI-UHFFFAOYSA-N 1 2 220.228 0.842 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCOC)C1 ZINC000748462956 585192938 /nfs/dbraw/zinc/19/29/38/585192938.db2.gz YVGYBAZFSIVCIO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCOC)C1 ZINC000748462956 585192939 /nfs/dbraw/zinc/19/29/39/585192939.db2.gz YVGYBAZFSIVCIO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC1(C)CC(=O)N(C[N@@H+]2CCCOCC2)C1=O ZINC000748787317 585195947 /nfs/dbraw/zinc/19/59/47/585195947.db2.gz GLZPXHJXRJBNKJ-UHFFFAOYSA-N 1 2 240.303 0.451 20 0 BCADLO CC1(C)CC(=O)N(C[N@H+]2CCCOCC2)C1=O ZINC000748787317 585195948 /nfs/dbraw/zinc/19/59/48/585195948.db2.gz GLZPXHJXRJBNKJ-UHFFFAOYSA-N 1 2 240.303 0.451 20 0 BCADLO COC(=O)C[N@H+](C/C=C(/C)C(=O)OC)C(C)C ZINC000748814318 585196502 /nfs/dbraw/zinc/19/65/02/585196502.db2.gz ZIJDWXSIVJPAIT-POHAHGRESA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)C[N@@H+](C/C=C(/C)C(=O)OC)C(C)C ZINC000748814318 585196503 /nfs/dbraw/zinc/19/65/03/585196503.db2.gz ZIJDWXSIVJPAIT-POHAHGRESA-N 1 2 243.303 0.989 20 0 BCADLO CCOC(=O)C[N@H+](CC)C/C=C(\C)C(=O)OC ZINC000748814955 585196589 /nfs/dbraw/zinc/19/65/89/585196589.db2.gz IULODRCNMNFIPK-JXMROGBWSA-N 1 2 243.303 0.991 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C/C=C(\C)C(=O)OC ZINC000748814955 585196590 /nfs/dbraw/zinc/19/65/90/585196590.db2.gz IULODRCNMNFIPK-JXMROGBWSA-N 1 2 243.303 0.991 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H]1C(=O)OC ZINC000748816971 585196607 /nfs/dbraw/zinc/19/66/07/585196607.db2.gz XEJDEGHBWTVCAZ-ZKXNXJMVSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000748816971 585196608 /nfs/dbraw/zinc/19/66/08/585196608.db2.gz XEJDEGHBWTVCAZ-ZKXNXJMVSA-N 1 2 241.287 0.743 20 0 BCADLO COCCONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000749000585 585198030 /nfs/dbraw/zinc/19/80/30/585198030.db2.gz PTAKPSLDERMJDR-SECBINFHSA-N 1 2 242.279 0.149 20 0 BCADLO CCC[N@H+](C/C=C(/C)C(=O)OC)CC(=O)OC ZINC000749117185 585199530 /nfs/dbraw/zinc/19/95/30/585199530.db2.gz SCOPACXPFCHSAM-POHAHGRESA-N 1 2 243.303 0.991 20 0 BCADLO CCC[N@@H+](C/C=C(/C)C(=O)OC)CC(=O)OC ZINC000749117185 585199531 /nfs/dbraw/zinc/19/95/31/585199531.db2.gz SCOPACXPFCHSAM-POHAHGRESA-N 1 2 243.303 0.991 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nccc(N)n2)CCCC1 ZINC000749523308 585203340 /nfs/dbraw/zinc/20/33/40/585203340.db2.gz TZLDWJGUEFOUFJ-UHFFFAOYSA-N 1 2 249.318 0.207 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000749576622 585203965 /nfs/dbraw/zinc/20/39/65/585203965.db2.gz LDARRGXMJNWPKH-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000749576620 585204117 /nfs/dbraw/zinc/20/41/17/585204117.db2.gz LDARRGXMJNWPKH-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc(C)cn1 ZINC000750285807 585212621 /nfs/dbraw/zinc/21/26/21/585212621.db2.gz SEOINMQAVCXRIJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc(C)cn1 ZINC000750285807 585212622 /nfs/dbraw/zinc/21/26/22/585212622.db2.gz SEOINMQAVCXRIJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO Cc1ccc(NC(=O)c2nc[nH]n2)c(N(C)C)[nH+]1 ZINC000750528668 585216794 /nfs/dbraw/zinc/21/67/94/585216794.db2.gz JHSNUZMPLBOOEA-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO C[C@@H](C(=O)Nc1n[nH]c(-c2ccco2)n1)[NH+](C)C ZINC000750611551 585217936 /nfs/dbraw/zinc/21/79/36/585217936.db2.gz DRTDLDDXXOHZFJ-ZETCQYMHSA-N 1 2 249.274 0.953 20 0 BCADLO C[C@@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)[NH+](C)C ZINC000750611551 585217937 /nfs/dbraw/zinc/21/79/37/585217937.db2.gz DRTDLDDXXOHZFJ-ZETCQYMHSA-N 1 2 249.274 0.953 20 0 BCADLO CC(C)NC(=S)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751015316 585223541 /nfs/dbraw/zinc/22/35/41/585223541.db2.gz NMQZCFSNJSUZBJ-JTQLQIEISA-N 1 2 245.392 0.580 20 0 BCADLO CC(C)NC(=S)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751015316 585223542 /nfs/dbraw/zinc/22/35/42/585223542.db2.gz NMQZCFSNJSUZBJ-JTQLQIEISA-N 1 2 245.392 0.580 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCCNC(=O)C2)[nH+]1 ZINC000751224613 585226105 /nfs/dbraw/zinc/22/61/05/585226105.db2.gz GXOMFYWMLQJTJY-UHFFFAOYSA-N 1 2 245.286 0.593 20 0 BCADLO CCN(CC(=O)NC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000751229742 585226179 /nfs/dbraw/zinc/22/61/79/585226179.db2.gz BYYYJXKDNBDFMJ-UHFFFAOYSA-N 1 2 247.302 0.839 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000751375462 585228339 /nfs/dbraw/zinc/22/83/39/585228339.db2.gz IKVXVNNLPFJOAJ-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000751375462 585228340 /nfs/dbraw/zinc/22/83/40/585228340.db2.gz IKVXVNNLPFJOAJ-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO CS/C=C\C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000751576370 585233226 /nfs/dbraw/zinc/23/32/26/585233226.db2.gz ALBGMYHSXBBVRS-GJQXAKHRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000751576370 585233227 /nfs/dbraw/zinc/23/32/27/585233227.db2.gz ALBGMYHSXBBVRS-GJQXAKHRSA-N 1 2 244.360 0.700 20 0 BCADLO COC(=O)[C@]1(F)CCN(c2cc(C)[nH+]cn2)C1 ZINC000751962438 585239836 /nfs/dbraw/zinc/23/98/36/585239836.db2.gz TXTUTIJUXPJNNQ-NSHDSACASA-N 1 2 239.250 0.876 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000752096329 585242518 /nfs/dbraw/zinc/24/25/18/585242518.db2.gz XWOPZIYXRKBJAC-KCJUWKMLSA-N 1 2 246.282 0.050 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000752096329 585242519 /nfs/dbraw/zinc/24/25/19/585242519.db2.gz XWOPZIYXRKBJAC-KCJUWKMLSA-N 1 2 246.282 0.050 20 0 BCADLO COc1cccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000752412699 585245727 /nfs/dbraw/zinc/24/57/27/585245727.db2.gz JBCRTMXZLZLZPG-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO CC[C@H](CO)C(=O)NCc1c[nH+]cn1C ZINC000752955631 585251781 /nfs/dbraw/zinc/25/17/81/585251781.db2.gz RZYWRHVPOSEYMC-MRVPVSSYSA-N 1 2 211.265 0.055 20 0 BCADLO Cc1nnc(SCc2c[nH+]cn2C)n1N ZINC000753062587 585252733 /nfs/dbraw/zinc/25/27/33/585252733.db2.gz PWLYDCJYZSKQLK-UHFFFAOYSA-N 1 2 224.293 0.326 20 0 BCADLO CON(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000753655034 585265724 /nfs/dbraw/zinc/26/57/24/585265724.db2.gz VOEMONINEXQJKT-QMMMGPOBSA-N 1 2 224.264 0.401 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1=COCCC1 ZINC000753679796 585266245 /nfs/dbraw/zinc/26/62/45/585266245.db2.gz OVAYKXUBBXCZRP-UHFFFAOYSA-N 1 2 235.287 0.773 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)(C)C ZINC000753704590 585266484 /nfs/dbraw/zinc/26/64/84/585266484.db2.gz LZEBAJIKASUMKT-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753704590 585266485 /nfs/dbraw/zinc/26/64/85/585266485.db2.gz LZEBAJIKASUMKT-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO CCC(=O)CC[N@@H+](CC)CC(=O)OC ZINC000753704022 585266579 /nfs/dbraw/zinc/26/65/79/585266579.db2.gz GICFDPWCGVSXAJ-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO CCC(=O)CC[N@H+](CC)CC(=O)OC ZINC000753704022 585266580 /nfs/dbraw/zinc/26/65/80/585266580.db2.gz GICFDPWCGVSXAJ-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(CC)C(=O)C1 ZINC000753766005 585268493 /nfs/dbraw/zinc/26/84/93/585268493.db2.gz QTPGTRWPAZQODL-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(CC)C(=O)C1 ZINC000753766005 585268494 /nfs/dbraw/zinc/26/84/94/585268494.db2.gz QTPGTRWPAZQODL-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CCONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000753804266 585269180 /nfs/dbraw/zinc/26/91/80/585269180.db2.gz ZUBJYSZNKPOLTP-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO CCONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000753804266 585269181 /nfs/dbraw/zinc/26/91/81/585269181.db2.gz ZUBJYSZNKPOLTP-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000754115864 585278763 /nfs/dbraw/zinc/27/87/63/585278763.db2.gz VQZVZNVBGBODDK-LTMVXPGCSA-N 1 2 238.740 0.492 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000754115864 585278764 /nfs/dbraw/zinc/27/87/64/585278764.db2.gz VQZVZNVBGBODDK-LTMVXPGCSA-N 1 2 238.740 0.492 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1CC(F)(F)C1 ZINC000754119891 585278881 /nfs/dbraw/zinc/27/88/81/585278881.db2.gz QFUJSXPMFGCVJR-UHFFFAOYSA-N 1 2 249.257 0.907 20 0 BCADLO C[C@H]1COCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000754234976 585280673 /nfs/dbraw/zinc/28/06/73/585280673.db2.gz PMYJIKICIUNZFZ-SNVBAGLBSA-N 1 2 223.276 0.378 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)c1nnc(C)o1 ZINC000754296091 585282302 /nfs/dbraw/zinc/28/23/02/585282302.db2.gz KFFRUPBAHPXIDD-RITPCOANSA-N 1 2 228.252 0.972 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2nncn2C)C1 ZINC000754381428 585283680 /nfs/dbraw/zinc/28/36/80/585283680.db2.gz CETNEKYKHMAUFF-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2nncn2C)C1 ZINC000754381428 585283681 /nfs/dbraw/zinc/28/36/81/585283681.db2.gz CETNEKYKHMAUFF-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO Cc1nonc1C[N@H+]1CCOC[C@H](C)C1 ZINC000754386394 585284002 /nfs/dbraw/zinc/28/40/02/585284002.db2.gz YGQRGXYLBIQWQM-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nonc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000754386394 585284003 /nfs/dbraw/zinc/28/40/03/585284003.db2.gz YGQRGXYLBIQWQM-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO COC(=O)C[C@H]([NH2+]Cc1noc(C)n1)C1CC1 ZINC000754520964 585285533 /nfs/dbraw/zinc/28/55/33/585285533.db2.gz RYHWZSNWXWXJFQ-VIFPVBQESA-N 1 2 239.275 0.809 20 0 BCADLO Cc1c(C(=O)OCc2c[nH+]cn2C)nnn1C ZINC000754684064 585289561 /nfs/dbraw/zinc/28/95/61/585289561.db2.gz GMSNTMSUEXAVCU-UHFFFAOYSA-N 1 2 235.247 0.214 20 0 BCADLO C[C@]1(C(=O)OCC[NH+]2CCOCC2)CCOC1 ZINC000755115746 585294751 /nfs/dbraw/zinc/29/47/51/585294751.db2.gz LMZOMXPGPZOJBW-LBPRGKRZSA-N 1 2 243.303 0.288 20 0 BCADLO CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)COC1 ZINC000755345042 585297316 /nfs/dbraw/zinc/29/73/16/585297316.db2.gz MEPGWWFCWJLVGB-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CCC1(C(=O)NCc2[nH+]ccn2C)COC1 ZINC000755320341 585297560 /nfs/dbraw/zinc/29/75/60/585297560.db2.gz LXPAMNAEILBJLE-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO CC1=CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000755771032 585306668 /nfs/dbraw/zinc/30/66/68/585306668.db2.gz RJZNEKMRMMSECQ-UHFFFAOYSA-N 1 2 237.259 0.017 20 0 BCADLO CC1=CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000755771032 585306669 /nfs/dbraw/zinc/30/66/69/585306669.db2.gz RJZNEKMRMMSECQ-UHFFFAOYSA-N 1 2 237.259 0.017 20 0 BCADLO Cc1ccnc(C[NH2+]C2(C(N)=O)CCCC2)n1 ZINC000756602555 585321636 /nfs/dbraw/zinc/32/16/36/585321636.db2.gz VVQNIECFVGMDIX-UHFFFAOYSA-N 1 2 234.303 0.673 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cncs1 ZINC000839574005 585330682 /nfs/dbraw/zinc/33/06/82/585330682.db2.gz ITRROFRFHRXJNZ-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cncs1 ZINC000839574005 585330683 /nfs/dbraw/zinc/33/06/83/585330683.db2.gz ITRROFRFHRXJNZ-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671270 585336120 /nfs/dbraw/zinc/33/61/20/585336120.db2.gz KWVCSFCKGLRXFI-XXLCQIKASA-N 1 2 243.303 0.187 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671270 585336121 /nfs/dbraw/zinc/33/61/21/585336121.db2.gz KWVCSFCKGLRXFI-XXLCQIKASA-N 1 2 243.303 0.187 20 0 BCADLO CC[N@H+](Cn1nc2cnccn2c1=O)C1CCC1 ZINC000758322669 585353650 /nfs/dbraw/zinc/35/36/50/585353650.db2.gz BSWDORIOSKYMJU-UHFFFAOYSA-N 1 2 247.302 0.723 20 0 BCADLO CC[N@@H+](Cn1nc2cnccn2c1=O)C1CCC1 ZINC000758322669 585353651 /nfs/dbraw/zinc/35/36/51/585353651.db2.gz BSWDORIOSKYMJU-UHFFFAOYSA-N 1 2 247.302 0.723 20 0 BCADLO CC[C@H](C)C[N@H+](C)Cn1ncn(C)c1=O ZINC000758324324 585353697 /nfs/dbraw/zinc/35/36/97/585353697.db2.gz PCWUDNFXPBCRPN-VIFPVBQESA-N 1 2 212.297 0.517 20 0 BCADLO CC[C@H](C)C[N@@H+](C)Cn1ncn(C)c1=O ZINC000758324324 585353698 /nfs/dbraw/zinc/35/36/98/585353698.db2.gz PCWUDNFXPBCRPN-VIFPVBQESA-N 1 2 212.297 0.517 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC[C@H]2C2CC2)c1=O ZINC000758315249 585353772 /nfs/dbraw/zinc/35/37/72/585353772.db2.gz BOROVNBDXNNJDK-JTQLQIEISA-N 1 2 222.292 0.414 20 0 BCADLO Cn1cnn(C[N@H+]2CCC[C@H]2C2CC2)c1=O ZINC000758315249 585353773 /nfs/dbraw/zinc/35/37/73/585353773.db2.gz BOROVNBDXNNJDK-JTQLQIEISA-N 1 2 222.292 0.414 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1nc2cnccn2c1=O ZINC000758320013 585353850 /nfs/dbraw/zinc/35/38/50/585353850.db2.gz NBJRGWVQOJCJIC-SNVBAGLBSA-N 1 2 247.302 0.723 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1nc2cnccn2c1=O ZINC000758320013 585353851 /nfs/dbraw/zinc/35/38/51/585353851.db2.gz NBJRGWVQOJCJIC-SNVBAGLBSA-N 1 2 247.302 0.723 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333871 585353996 /nfs/dbraw/zinc/35/39/96/585353996.db2.gz ZELVDKPEIXNNNO-NXEZZACHSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333871 585353997 /nfs/dbraw/zinc/35/39/97/585353997.db2.gz ZELVDKPEIXNNNO-NXEZZACHSA-N 1 2 247.302 0.579 20 0 BCADLO Cn1cnn(C[N@H+](C)CCC2CC2)c1=O ZINC000758350054 585354321 /nfs/dbraw/zinc/35/43/21/585354321.db2.gz IUQGKUYOCDIQLC-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO Cn1cnn(C[N@@H+](C)CCC2CC2)c1=O ZINC000758350054 585354322 /nfs/dbraw/zinc/35/43/22/585354322.db2.gz IUQGKUYOCDIQLC-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO COCCOCCO[NH+]=C(N)COC(C)C ZINC000758762452 585359547 /nfs/dbraw/zinc/35/95/47/585359547.db2.gz REDYMZFMUJQAFV-UHFFFAOYSA-N 1 2 234.296 0.573 20 0 BCADLO CC(C)NC(=O)C[NH+]1CCN(CCF)CC1 ZINC000759333106 585368519 /nfs/dbraw/zinc/36/85/19/585368519.db2.gz UCAWIGXJCHBDBL-UHFFFAOYSA-N 1 2 231.315 0.098 20 0 BCADLO CCOC(C[N@@H+]1CCc2nn[nH]c2C1)OCC ZINC000759519811 585374373 /nfs/dbraw/zinc/37/43/73/585374373.db2.gz GACPFOHTIDVLEE-UHFFFAOYSA-N 1 2 240.307 0.562 20 0 BCADLO CCOC(C[N@H+]1CCc2nn[nH]c2C1)OCC ZINC000759519811 585374374 /nfs/dbraw/zinc/37/43/74/585374374.db2.gz GACPFOHTIDVLEE-UHFFFAOYSA-N 1 2 240.307 0.562 20 0 BCADLO CCC1(CC)[C@H]([NH2+]CC(=O)NOC)C[C@@H]1OC ZINC000759612059 585377148 /nfs/dbraw/zinc/37/71/48/585377148.db2.gz CQJOSXPBVOZCTC-ZJUUUORDSA-N 1 2 244.335 0.847 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1CO ZINC000759689386 585378572 /nfs/dbraw/zinc/37/85/72/585378572.db2.gz FBIMBZJEXFPASZ-SNVBAGLBSA-N 1 2 245.282 0.931 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000759710296 585379071 /nfs/dbraw/zinc/37/90/71/585379071.db2.gz DZXIEUHUFTUUJX-ONGXEEELSA-N 1 2 233.267 0.765 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000759874858 585382180 /nfs/dbraw/zinc/38/21/80/585382180.db2.gz OUDRGNKTHCBYAU-IDKOKCKLSA-N 1 2 215.293 0.783 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)C1CC(O)C1 ZINC000759874858 585382181 /nfs/dbraw/zinc/38/21/81/585382181.db2.gz OUDRGNKTHCBYAU-IDKOKCKLSA-N 1 2 215.293 0.783 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=S)NC3CC3)C[C@H]21 ZINC000760302038 585389773 /nfs/dbraw/zinc/38/97/73/585389773.db2.gz YVKDBRQWHROHOB-ZJUUUORDSA-N 1 2 241.360 0.038 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=S)NC3CC3)C[C@H]21 ZINC000760302038 585389774 /nfs/dbraw/zinc/38/97/74/585389774.db2.gz YVKDBRQWHROHOB-ZJUUUORDSA-N 1 2 241.360 0.038 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761067458 585405036 /nfs/dbraw/zinc/40/50/36/585405036.db2.gz DYDJPQCQWTVQLX-GHMZBOCLSA-N 1 2 241.379 0.926 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761067458 585405037 /nfs/dbraw/zinc/40/50/37/585405037.db2.gz DYDJPQCQWTVQLX-GHMZBOCLSA-N 1 2 241.379 0.926 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CCN1C ZINC000761074324 585405187 /nfs/dbraw/zinc/40/51/87/585405187.db2.gz BNZIFBAUCLZOPX-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CCN1C ZINC000761074324 585405188 /nfs/dbraw/zinc/40/51/88/585405188.db2.gz BNZIFBAUCLZOPX-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761071097 585405442 /nfs/dbraw/zinc/40/54/42/585405442.db2.gz BUMPKQWNBHBVIR-LLVKDONJSA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000761071097 585405443 /nfs/dbraw/zinc/40/54/43/585405443.db2.gz BUMPKQWNBHBVIR-LLVKDONJSA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761071097 585405444 /nfs/dbraw/zinc/40/54/44/585405444.db2.gz BUMPKQWNBHBVIR-LLVKDONJSA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000761071097 585405445 /nfs/dbraw/zinc/40/54/45/585405445.db2.gz BUMPKQWNBHBVIR-LLVKDONJSA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761075655 585406198 /nfs/dbraw/zinc/40/61/98/585406198.db2.gz KIGWQJHDRNWHMQ-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761075655 585406199 /nfs/dbraw/zinc/40/61/99/585406199.db2.gz KIGWQJHDRNWHMQ-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761086098 585407436 /nfs/dbraw/zinc/40/74/36/585407436.db2.gz BIPKEHBTYXTXKL-IONNQARKSA-N 1 2 205.265 0.602 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761086098 585407437 /nfs/dbraw/zinc/40/74/37/585407437.db2.gz BIPKEHBTYXTXKL-IONNQARKSA-N 1 2 205.265 0.602 20 0 BCADLO COCCc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761088273 585407649 /nfs/dbraw/zinc/40/76/49/585407649.db2.gz FSYAJDFASXKRCZ-BDAKNGLRSA-N 1 2 223.276 0.853 20 0 BCADLO COCCc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761088273 585407650 /nfs/dbraw/zinc/40/76/50/585407650.db2.gz FSYAJDFASXKRCZ-BDAKNGLRSA-N 1 2 223.276 0.853 20 0 BCADLO COCC1([N@H+](C)CCS(=O)(=O)C(C)C)CC1 ZINC000761103385 585409579 /nfs/dbraw/zinc/40/95/79/585409579.db2.gz XWLPHFCWJHBKKY-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO COCC1([N@@H+](C)CCS(=O)(=O)C(C)C)CC1 ZINC000761103385 585409580 /nfs/dbraw/zinc/40/95/80/585409580.db2.gz XWLPHFCWJHBKKY-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000761232377 585412715 /nfs/dbraw/zinc/41/27/15/585412715.db2.gz NUJFYMPTSKKIPE-ZBJFTSOASA-N 1 2 248.286 0.807 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CCCNC(=O)C1 ZINC000762524024 585433618 /nfs/dbraw/zinc/43/36/18/585433618.db2.gz RIKWYQSXIGRREV-UHFFFAOYSA-N 1 2 244.298 0.900 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926434 585439748 /nfs/dbraw/zinc/43/97/48/585439748.db2.gz STDOFGKGLOOAOH-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926434 585439749 /nfs/dbraw/zinc/43/97/49/585439749.db2.gz STDOFGKGLOOAOH-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000763416942 585447489 /nfs/dbraw/zinc/44/74/89/585447489.db2.gz WDDWDDVXEUKEBF-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000763416942 585447490 /nfs/dbraw/zinc/44/74/90/585447490.db2.gz WDDWDDVXEUKEBF-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO NC(=[NH+]OCCOCCO)c1ccccc1 ZINC000763422267 585448240 /nfs/dbraw/zinc/44/82/40/585448240.db2.gz AJUNJKDYSIAIGJ-UHFFFAOYSA-N 1 2 224.260 0.542 20 0 BCADLO O=C1O[C@@H](C[NH+]2CCOCC2)CC12CC2 ZINC000763649644 585451464 /nfs/dbraw/zinc/45/14/64/585451464.db2.gz KUFZTULKQDNTDZ-SECBINFHSA-N 1 2 211.261 0.414 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676076 585451581 /nfs/dbraw/zinc/45/15/81/585451581.db2.gz QWNHRTHTISVVIY-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676076 585451582 /nfs/dbraw/zinc/45/15/82/585451582.db2.gz QWNHRTHTISVVIY-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000763874558 585455757 /nfs/dbraw/zinc/45/57/57/585455757.db2.gz IKCPJCDITCOHFF-ZCFIWIBFSA-N 1 2 228.189 0.661 20 0 BCADLO C[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763874558 585455758 /nfs/dbraw/zinc/45/57/58/585455758.db2.gz IKCPJCDITCOHFF-ZCFIWIBFSA-N 1 2 228.189 0.661 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000763874290 585455812 /nfs/dbraw/zinc/45/58/12/585455812.db2.gz HHCASMQDADDAND-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@H](CO)COC(C)C ZINC000763874290 585455813 /nfs/dbraw/zinc/45/58/13/585455813.db2.gz HHCASMQDADDAND-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)CC[S@@](=O)C1 ZINC000763878157 585455876 /nfs/dbraw/zinc/45/58/76/585455876.db2.gz RQMIZNKMDFSFHC-BJOHPYRUSA-N 1 2 233.333 0.060 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)CC[S@@](=O)C1 ZINC000763878157 585455877 /nfs/dbraw/zinc/45/58/77/585455877.db2.gz RQMIZNKMDFSFHC-BJOHPYRUSA-N 1 2 233.333 0.060 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763882663 585456286 /nfs/dbraw/zinc/45/62/86/585456286.db2.gz VQOSHGPTZWCPPR-GFCCVEGCSA-N 1 2 245.319 0.269 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763882663 585456287 /nfs/dbraw/zinc/45/62/87/585456287.db2.gz VQOSHGPTZWCPPR-GFCCVEGCSA-N 1 2 245.319 0.269 20 0 BCADLO C[NH+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000763898527 585456413 /nfs/dbraw/zinc/45/64/13/585456413.db2.gz BNGISSKZKWKWDQ-RXMQYKEDSA-N 1 2 216.178 0.565 20 0 BCADLO C[NH+](C)CCNC(=O)C(F)C(F)(F)F ZINC000763898527 585456414 /nfs/dbraw/zinc/45/64/14/585456414.db2.gz BNGISSKZKWKWDQ-RXMQYKEDSA-N 1 2 216.178 0.565 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764203186 585461638 /nfs/dbraw/zinc/46/16/38/585461638.db2.gz JRNGDTQGTNFJGG-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764203186 585461639 /nfs/dbraw/zinc/46/16/39/585461639.db2.gz JRNGDTQGTNFJGG-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCOC2 ZINC000764648597 585469952 /nfs/dbraw/zinc/46/99/52/585469952.db2.gz ZZSPUTPZTZIXQN-CMPLNLGQSA-N 1 2 236.271 0.853 20 0 BCADLO Cn1c2ccncc2n(C[NH+]2CCCC2)c1=O ZINC000764847086 585475965 /nfs/dbraw/zinc/47/59/65/585475965.db2.gz MZQGXZHCXVSWAP-UHFFFAOYSA-N 1 2 232.287 0.788 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](O)C(C)(C)C ZINC000765009673 585479267 /nfs/dbraw/zinc/47/92/67/585479267.db2.gz NGPMNEVCZQRRCA-SECBINFHSA-N 1 2 225.292 0.775 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](O)C(C)(C)C ZINC000765009674 585479346 /nfs/dbraw/zinc/47/93/46/585479346.db2.gz NGPMNEVCZQRRCA-VIFPVBQESA-N 1 2 225.292 0.775 20 0 BCADLO C/C=C\C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765118009 585481492 /nfs/dbraw/zinc/48/14/92/585481492.db2.gz MPADYJYMVVCYLI-IHWYPQMZSA-N 1 2 224.304 0.544 20 0 BCADLO O=C(C[C@H]1COC(=O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000765550245 585489761 /nfs/dbraw/zinc/48/97/61/585489761.db2.gz XVGGDGRKDVCPGS-SECBINFHSA-N 1 2 249.270 0.220 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(C)nc1 ZINC000765569170 585489858 /nfs/dbraw/zinc/48/98/58/585489858.db2.gz OMUHXUIVNPUWRY-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(C)nc1 ZINC000765569170 585489859 /nfs/dbraw/zinc/48/98/59/585489859.db2.gz OMUHXUIVNPUWRY-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+]1C[C@H](C)N(CCS(C)(=O)=O)C[C@@H]1C ZINC000766253856 585499260 /nfs/dbraw/zinc/49/92/60/585499260.db2.gz LEPWNEGUBPBTAY-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CC[N@H+]1C[C@H](C)N(CCS(C)(=O)=O)C[C@@H]1C ZINC000766253856 585499261 /nfs/dbraw/zinc/49/92/61/585499261.db2.gz LEPWNEGUBPBTAY-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@H](C)[N@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000766253856 585499263 /nfs/dbraw/zinc/49/92/63/585499263.db2.gz LEPWNEGUBPBTAY-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@H](C)[N@@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000766253856 585499264 /nfs/dbraw/zinc/49/92/64/585499264.db2.gz LEPWNEGUBPBTAY-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCONC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000767163700 585514942 /nfs/dbraw/zinc/51/49/42/585514942.db2.gz PWDUUPUWYNZHIL-VIFPVBQESA-N 1 2 216.281 0.022 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767616967 585523389 /nfs/dbraw/zinc/52/33/89/585523389.db2.gz CLIOIVKJKBFGPA-NSHDSACASA-N 1 2 238.331 0.956 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767616967 585523390 /nfs/dbraw/zinc/52/33/90/585523390.db2.gz CLIOIVKJKBFGPA-NSHDSACASA-N 1 2 238.331 0.956 20 0 BCADLO O=C(NC1(CO)CC1)c1cccc2[nH+]ccn21 ZINC000767857608 585527036 /nfs/dbraw/zinc/52/70/36/585527036.db2.gz LCDQDTUGQOLXSA-UHFFFAOYSA-N 1 2 231.255 0.589 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)C1=CCCCO1 ZINC000767972376 585529016 /nfs/dbraw/zinc/52/90/16/585529016.db2.gz XNJUSOJTBFRLCI-UHFFFAOYSA-N 1 2 220.228 0.842 20 0 BCADLO COCC(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000768252498 585534605 /nfs/dbraw/zinc/53/46/05/585534605.db2.gz QHSXNVBVLROBLD-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)OCCCF ZINC000859235702 589023124 /nfs/dbraw/zinc/02/31/24/589023124.db2.gz KZNOJYNUHCETCH-UHFFFAOYSA-N 1 2 201.201 0.996 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)OCCCF ZINC000859235702 589023125 /nfs/dbraw/zinc/02/31/25/589023125.db2.gz KZNOJYNUHCETCH-UHFFFAOYSA-N 1 2 201.201 0.996 20 0 BCADLO NC(CCO)=[NH+]OCc1noc(C2CC2)n1 ZINC000768493587 585539283 /nfs/dbraw/zinc/53/92/83/585539283.db2.gz KWHOCGPNRVOZJU-UHFFFAOYSA-N 1 2 226.236 0.328 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)[C@@H](C)CN1C ZINC000768768934 585542661 /nfs/dbraw/zinc/54/26/61/585542661.db2.gz DONNKNVTCJWNBP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)[C@@H](C)CN1C ZINC000768768934 585542662 /nfs/dbraw/zinc/54/26/62/585542662.db2.gz DONNKNVTCJWNBP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCS(C)(=O)=O ZINC000768768934 585542663 /nfs/dbraw/zinc/54/26/63/585542663.db2.gz DONNKNVTCJWNBP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCS(C)(=O)=O ZINC000768768934 585542664 /nfs/dbraw/zinc/54/26/64/585542664.db2.gz DONNKNVTCJWNBP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O ZINC000768812348 585543885 /nfs/dbraw/zinc/54/38/85/585543885.db2.gz IUGRQYHYWCGITA-GXSJLCMTSA-N 1 2 245.282 0.787 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)NCCCF)CCO1 ZINC000769086836 585548742 /nfs/dbraw/zinc/54/87/42/585548742.db2.gz QRENRBBQKMVHFF-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCF)CCO1 ZINC000769086836 585548743 /nfs/dbraw/zinc/54/87/43/585548743.db2.gz QRENRBBQKMVHFF-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO COCC[N@H+](CCO)Cc1coc(C2CC2)n1 ZINC000769313415 585553577 /nfs/dbraw/zinc/55/35/77/585553577.db2.gz NOKKSNXLQDNSIJ-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO COCC[N@@H+](CCO)Cc1coc(C2CC2)n1 ZINC000769313415 585553578 /nfs/dbraw/zinc/55/35/78/585553578.db2.gz NOKKSNXLQDNSIJ-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO OCCC[N@H+](CCO)Cc1coc(C2CC2)n1 ZINC000769389702 585555397 /nfs/dbraw/zinc/55/53/97/585555397.db2.gz NSIDLUAVFNGTHN-UHFFFAOYSA-N 1 2 240.303 0.729 20 0 BCADLO OCCC[N@@H+](CCO)Cc1coc(C2CC2)n1 ZINC000769389702 585555398 /nfs/dbraw/zinc/55/53/98/585555398.db2.gz NSIDLUAVFNGTHN-UHFFFAOYSA-N 1 2 240.303 0.729 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000769562598 585559668 /nfs/dbraw/zinc/55/96/68/585559668.db2.gz BIZUTHDNVZNRHK-AOOOYVTPSA-N 1 2 247.298 0.490 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000769562598 585559669 /nfs/dbraw/zinc/55/96/69/585559669.db2.gz BIZUTHDNVZNRHK-AOOOYVTPSA-N 1 2 247.298 0.490 20 0 BCADLO CCCNC(=S)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769793269 585563561 /nfs/dbraw/zinc/56/35/61/585563561.db2.gz LUYMQVSYNSETMU-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO CCCNC(=S)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769793269 585563562 /nfs/dbraw/zinc/56/35/62/585563562.db2.gz LUYMQVSYNSETMU-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO CC(C)C[N@H+](C)Cn1nc(CO)n(C)c1=S ZINC000769834987 585565050 /nfs/dbraw/zinc/56/50/50/585565050.db2.gz NIYVOASVRIGSLD-UHFFFAOYSA-N 1 2 244.364 0.989 20 0 BCADLO CC(C)C[N@@H+](C)Cn1nc(CO)n(C)c1=S ZINC000769834987 585565051 /nfs/dbraw/zinc/56/50/51/585565051.db2.gz NIYVOASVRIGSLD-UHFFFAOYSA-N 1 2 244.364 0.989 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769904616 585566334 /nfs/dbraw/zinc/56/63/34/585566334.db2.gz UPUWRJJQYVEXKM-CQSZACIVSA-N 1 2 249.310 0.910 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769904616 585566335 /nfs/dbraw/zinc/56/63/35/585566335.db2.gz UPUWRJJQYVEXKM-CQSZACIVSA-N 1 2 249.310 0.910 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCNC1=O ZINC000770025792 585569728 /nfs/dbraw/zinc/56/97/28/585569728.db2.gz YXXWHRKFPOGIST-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCNC1=O ZINC000770025792 585569729 /nfs/dbraw/zinc/56/97/29/585569729.db2.gz YXXWHRKFPOGIST-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770025739 585569904 /nfs/dbraw/zinc/56/99/04/585569904.db2.gz YXXWHRKFPOGIST-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770025739 585569905 /nfs/dbraw/zinc/56/99/05/585569905.db2.gz YXXWHRKFPOGIST-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO Cn1nc(C[NH2+]C2(C(N)=O)CC2)cc1Cl ZINC000859239798 589023418 /nfs/dbraw/zinc/02/34/18/589023418.db2.gz QJMFEYNDRLPRFO-UHFFFAOYSA-N 1 2 228.683 0.181 20 0 BCADLO O=C(Nc1nc[nH]n1)c1cccc2[nH+]ccn21 ZINC000770657148 585579169 /nfs/dbraw/zinc/57/91/69/585579169.db2.gz JTDBOUIPZFMDDQ-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO O=C(N[C@H](CO)C1CC1)c1cccc2[nH+]ccn21 ZINC000771020657 585587311 /nfs/dbraw/zinc/58/73/11/585587311.db2.gz HCDUZPHWJVQXPQ-SNVBAGLBSA-N 1 2 245.282 0.835 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000771057182 585589343 /nfs/dbraw/zinc/58/93/43/585589343.db2.gz IKHFRQZZEVROCX-JQWIXIFHSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@H](NC(=O)C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000771093861 585590123 /nfs/dbraw/zinc/59/01/23/585590123.db2.gz RNWYXJCAHZXGPH-NKWVEPMBSA-N 1 2 240.225 0.384 20 0 BCADLO C[C@H](NC(=O)C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000771093861 585590124 /nfs/dbraw/zinc/59/01/24/585590124.db2.gz RNWYXJCAHZXGPH-NKWVEPMBSA-N 1 2 240.225 0.384 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000771463672 585594869 /nfs/dbraw/zinc/59/48/69/585594869.db2.gz XXCGUEZTURKUQS-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000771463672 585594870 /nfs/dbraw/zinc/59/48/70/585594870.db2.gz XXCGUEZTURKUQS-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000771463672 585594871 /nfs/dbraw/zinc/59/48/71/585594871.db2.gz XXCGUEZTURKUQS-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000771463672 585594872 /nfs/dbraw/zinc/59/48/72/585594872.db2.gz XXCGUEZTURKUQS-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000771763081 585599985 /nfs/dbraw/zinc/59/99/85/585599985.db2.gz BLACYGJOTAAHOX-SECBINFHSA-N 1 2 223.324 0.503 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000771763081 585599986 /nfs/dbraw/zinc/59/99/86/585599986.db2.gz BLACYGJOTAAHOX-SECBINFHSA-N 1 2 223.324 0.503 20 0 BCADLO O=C1N=NC2C[N@H+](CCCCCCO)CCN12 ZINC000771811448 585600667 /nfs/dbraw/zinc/60/06/67/585600667.db2.gz DZRFQSAMXXCLSH-UHFFFAOYSA-N 1 2 240.307 0.352 20 0 BCADLO O=C1N=NC2C[N@@H+](CCCCCCO)CCN12 ZINC000771811448 585600668 /nfs/dbraw/zinc/60/06/68/585600668.db2.gz DZRFQSAMXXCLSH-UHFFFAOYSA-N 1 2 240.307 0.352 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CCCCCCO)C2 ZINC000771811448 585600669 /nfs/dbraw/zinc/60/06/69/585600669.db2.gz DZRFQSAMXXCLSH-UHFFFAOYSA-N 1 2 240.307 0.352 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CCCCCCO)C2 ZINC000771811448 585600670 /nfs/dbraw/zinc/60/06/70/585600670.db2.gz DZRFQSAMXXCLSH-UHFFFAOYSA-N 1 2 240.307 0.352 20 0 BCADLO Cn1c[nH+]cc1Cn1nc2n(c1=O)CCCC2 ZINC000771863892 585603035 /nfs/dbraw/zinc/60/30/35/585603035.db2.gz KYGFXRHTJGTXJX-UHFFFAOYSA-N 1 2 233.275 0.163 20 0 BCADLO CCCC(=O)NCC(=O)OCCn1cc[nH+]c1 ZINC000771914256 585604484 /nfs/dbraw/zinc/60/44/84/585604484.db2.gz CUVPPDWOSMXPSR-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H](O)C1CC1 ZINC000771957804 585605497 /nfs/dbraw/zinc/60/54/97/585605497.db2.gz LHEBSLNHLCKCPT-VIFPVBQESA-N 1 2 210.233 0.197 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771950259 585605601 /nfs/dbraw/zinc/60/56/01/585605601.db2.gz KDEQZGKSAGWGEU-BDAKNGLRSA-N 1 2 238.243 0.235 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000771973747 585605824 /nfs/dbraw/zinc/60/58/24/585605824.db2.gz MZLWJTZSLFQYDO-VHSXEESVSA-N 1 2 224.260 0.587 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000771973745 585605935 /nfs/dbraw/zinc/60/59/35/585605935.db2.gz MZLWJTZSLFQYDO-NXEZZACHSA-N 1 2 224.260 0.587 20 0 BCADLO O=C(C[C@@H]1CCOC1)OCCn1cc[nH+]c1 ZINC000771974653 585605939 /nfs/dbraw/zinc/60/59/39/585605939.db2.gz ATKYTNFHVUPXOS-JTQLQIEISA-N 1 2 224.260 0.853 20 0 BCADLO Cn1cnnc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000771978793 585605953 /nfs/dbraw/zinc/60/59/53/585605953.db2.gz OWONBRGTLUWSHA-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO Cn1cnnc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000771978793 585605954 /nfs/dbraw/zinc/60/59/54/585605954.db2.gz OWONBRGTLUWSHA-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cc[nH]c(=O)c1 ZINC000772004568 585606665 /nfs/dbraw/zinc/60/66/65/585606665.db2.gz YHXTWVFQOQPECF-UHFFFAOYSA-N 1 2 233.227 0.841 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000772013781 585606942 /nfs/dbraw/zinc/60/69/42/585606942.db2.gz OEWIFCUPMWBKDC-SNVBAGLBSA-N 1 2 224.260 0.995 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H](C)OC)C1 ZINC000805468231 585620124 /nfs/dbraw/zinc/62/01/24/585620124.db2.gz FQUYOLMHJYTCCI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H](C)OC)C1 ZINC000805468231 585620125 /nfs/dbraw/zinc/62/01/25/585620125.db2.gz FQUYOLMHJYTCCI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO C/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811809 585624658 /nfs/dbraw/zinc/62/46/58/585624658.db2.gz IGMFSRRSFHHLKS-KZUAUGPASA-N 1 2 205.261 0.959 20 0 BCADLO CC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811809 585624659 /nfs/dbraw/zinc/62/46/59/585624659.db2.gz IGMFSRRSFHHLKS-KZUAUGPASA-N 1 2 205.261 0.959 20 0 BCADLO CCCC(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805474328 585626955 /nfs/dbraw/zinc/62/69/55/585626955.db2.gz AIJNLLCJJCXFLK-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCCC(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805474328 585626956 /nfs/dbraw/zinc/62/69/56/585626956.db2.gz AIJNLLCJJCXFLK-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2CC2)C1 ZINC000805476170 585629595 /nfs/dbraw/zinc/62/95/95/585629595.db2.gz KPRWHOZMFWJBRX-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC2CC2)C1 ZINC000805476170 585629596 /nfs/dbraw/zinc/62/95/96/585629596.db2.gz KPRWHOZMFWJBRX-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCc2n[nH]cc2C1 ZINC000773518905 585638996 /nfs/dbraw/zinc/63/89/96/585638996.db2.gz QFMOUDDFMBCJHB-OQFOIZHKSA-N 1 2 235.287 0.887 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCc2n[nH]cc2C1 ZINC000773518905 585638997 /nfs/dbraw/zinc/63/89/97/585638997.db2.gz QFMOUDDFMBCJHB-OQFOIZHKSA-N 1 2 235.287 0.887 20 0 BCADLO CS/C=C\C(=O)NCCc1c[nH+]cn1C ZINC000773822945 585644652 /nfs/dbraw/zinc/64/46/52/585644652.db2.gz GZGUFTXFPUZXEH-XQRVVYSFSA-N 1 2 225.317 0.956 20 0 BCADLO CCn1nccc1C(=O)OCc1c[nH+]cn1C ZINC000774139992 585651550 /nfs/dbraw/zinc/65/15/50/585651550.db2.gz QKLALMUSRXLYMH-UHFFFAOYSA-N 1 2 234.259 0.994 20 0 BCADLO COCC(COC)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774197658 585653324 /nfs/dbraw/zinc/65/33/24/585653324.db2.gz DQFRCAGBASVADZ-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COCC(COC)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774197658 585653325 /nfs/dbraw/zinc/65/33/25/585653325.db2.gz DQFRCAGBASVADZ-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)OC ZINC000774555229 585660677 /nfs/dbraw/zinc/66/06/77/585660677.db2.gz GVKFIRPGMZKJGS-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)OC ZINC000774555229 585660678 /nfs/dbraw/zinc/66/06/78/585660678.db2.gz GVKFIRPGMZKJGS-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000774622064 585662459 /nfs/dbraw/zinc/66/24/59/585662459.db2.gz WIPLDYZVLAPKOM-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000774622064 585662460 /nfs/dbraw/zinc/66/24/60/585662460.db2.gz WIPLDYZVLAPKOM-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(C)OC ZINC000774740668 585664678 /nfs/dbraw/zinc/66/46/78/585664678.db2.gz YWJCLOVGXYHZOY-NSHDSACASA-N 1 2 230.308 0.507 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(C)OC ZINC000774740668 585664679 /nfs/dbraw/zinc/66/46/79/585664679.db2.gz YWJCLOVGXYHZOY-NSHDSACASA-N 1 2 230.308 0.507 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000774764728 585665511 /nfs/dbraw/zinc/66/55/11/585665511.db2.gz ZYALXQISBFKWQM-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOCC12CCCC2 ZINC000774764728 585665512 /nfs/dbraw/zinc/66/55/12/585665512.db2.gz ZYALXQISBFKWQM-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO C=Cn1cc(C[N@H+](CC)CC(=O)NC)cn1 ZINC000774837527 585667003 /nfs/dbraw/zinc/66/70/03/585667003.db2.gz YXNOHSYOICCHGA-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)CC(=O)NC)cn1 ZINC000774837527 585667004 /nfs/dbraw/zinc/66/70/04/585667004.db2.gz YXNOHSYOICCHGA-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO Cc1n[nH]nc1C(=O)OCCCn1cc[nH+]c1 ZINC000805545890 585678847 /nfs/dbraw/zinc/67/88/47/585678847.db2.gz AXCLMOMSXFAELY-UHFFFAOYSA-N 1 2 235.247 0.557 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC[C@H]2C)o1 ZINC000775570335 585680226 /nfs/dbraw/zinc/68/02/26/585680226.db2.gz XFMNXOWMASJXPN-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC[C@H]2C)o1 ZINC000775570335 585680227 /nfs/dbraw/zinc/68/02/27/585680227.db2.gz XFMNXOWMASJXPN-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO COCCCOCC(=O)OCCn1cc[nH+]c1 ZINC000775924127 585687709 /nfs/dbraw/zinc/68/77/09/585687709.db2.gz YKYAZSJBQZJXEW-UHFFFAOYSA-N 1 2 242.275 0.479 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@H]2C[C@H]2C)C1 ZINC000776306435 585695507 /nfs/dbraw/zinc/69/55/07/585695507.db2.gz LKAJUYYIIBEVNJ-KOLCDFICSA-N 1 2 227.304 0.906 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@H]2C[C@@H]2C)C1 ZINC000776306437 585695534 /nfs/dbraw/zinc/69/55/34/585695534.db2.gz LKAJUYYIIBEVNJ-ONGXEEELSA-N 1 2 227.304 0.906 20 0 BCADLO O=C(NOCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776580726 585701345 /nfs/dbraw/zinc/70/13/45/585701345.db2.gz YNOQOCHRGWTUMX-UHFFFAOYSA-N 1 2 247.254 0.526 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000776600678 585702217 /nfs/dbraw/zinc/70/22/17/585702217.db2.gz DNDKEGCQNWEURQ-NXEZZACHSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000776600678 585702218 /nfs/dbraw/zinc/70/22/18/585702218.db2.gz DNDKEGCQNWEURQ-NXEZZACHSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)C[N@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776755822 585703987 /nfs/dbraw/zinc/70/39/87/585703987.db2.gz UIAVKKMHUGSZOO-UHFFFAOYSA-N 1 2 249.318 0.675 20 0 BCADLO CC(C)C[N@@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776755822 585703988 /nfs/dbraw/zinc/70/39/88/585703988.db2.gz UIAVKKMHUGSZOO-UHFFFAOYSA-N 1 2 249.318 0.675 20 0 BCADLO c1nncn1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000776762600 585704945 /nfs/dbraw/zinc/70/49/45/585704945.db2.gz DDORBAOMDBZIFL-UHFFFAOYSA-N 1 2 222.292 0.881 20 0 BCADLO c1nncn1C[N@H+]1CCOC2(CCCC2)C1 ZINC000776762600 585704946 /nfs/dbraw/zinc/70/49/46/585704946.db2.gz DDORBAOMDBZIFL-UHFFFAOYSA-N 1 2 222.292 0.881 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776774101 585705000 /nfs/dbraw/zinc/70/50/00/585705000.db2.gz ZHLGAXZBMBCXCY-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776774101 585705001 /nfs/dbraw/zinc/70/50/01/585705001.db2.gz ZHLGAXZBMBCXCY-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC1OCCO1 ZINC000776857813 585706283 /nfs/dbraw/zinc/70/62/83/585706283.db2.gz NKUHUDFCTNPOIT-SECBINFHSA-N 1 2 244.335 0.594 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1OCCO1 ZINC000776857813 585706284 /nfs/dbraw/zinc/70/62/84/585706284.db2.gz NKUHUDFCTNPOIT-SECBINFHSA-N 1 2 244.335 0.594 20 0 BCADLO C[C@](O)(C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000805581859 585709863 /nfs/dbraw/zinc/70/98/63/585709863.db2.gz AGFCBIOQLDKBLY-LLVKDONJSA-N 1 2 224.260 0.587 20 0 BCADLO CC[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000777554711 585715038 /nfs/dbraw/zinc/71/50/38/585715038.db2.gz GJMSFIZYEHMVRI-VIFPVBQESA-N 1 2 201.266 0.470 20 0 BCADLO CC[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000777554711 585715039 /nfs/dbraw/zinc/71/50/39/585715039.db2.gz GJMSFIZYEHMVRI-VIFPVBQESA-N 1 2 201.266 0.470 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000777598903 585716879 /nfs/dbraw/zinc/71/68/79/585716879.db2.gz CMMCKZVFZHSVAU-GHMZBOCLSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000777598903 585716880 /nfs/dbraw/zinc/71/68/80/585716880.db2.gz CMMCKZVFZHSVAU-GHMZBOCLSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C[C@H]1F ZINC000777968386 585724769 /nfs/dbraw/zinc/72/47/69/585724769.db2.gz OMPGGFHFDAJHBA-RKDXNWHRSA-N 1 2 243.282 0.518 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C[C@H]1F ZINC000777968386 585724770 /nfs/dbraw/zinc/72/47/70/585724770.db2.gz OMPGGFHFDAJHBA-RKDXNWHRSA-N 1 2 243.282 0.518 20 0 BCADLO Fc1ccc(C[NH2+]Cc2nnnn2C2CC2)cn1 ZINC000778172360 585726749 /nfs/dbraw/zinc/72/67/49/585726749.db2.gz IDCHANBHQQUHBJ-UHFFFAOYSA-N 1 2 248.265 0.832 20 0 BCADLO C[C@H]1CC[N@H+](CCS(C)(=O)=O)C[C@H]1F ZINC000778237548 585728697 /nfs/dbraw/zinc/72/86/97/585728697.db2.gz QHWZNOQQWHHCIE-DTWKUNHWSA-N 1 2 223.313 0.711 20 0 BCADLO C[C@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@H]1F ZINC000778237548 585728698 /nfs/dbraw/zinc/72/86/98/585728698.db2.gz QHWZNOQQWHHCIE-DTWKUNHWSA-N 1 2 223.313 0.711 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C[C@H]1F ZINC000778232758 585728803 /nfs/dbraw/zinc/72/88/03/585728803.db2.gz GVBSAVCXCQAJLW-IWSPIJDZSA-N 1 2 201.241 0.982 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C[C@H]1F ZINC000778232758 585728804 /nfs/dbraw/zinc/72/88/04/585728804.db2.gz GVBSAVCXCQAJLW-IWSPIJDZSA-N 1 2 201.241 0.982 20 0 BCADLO Cc1[nH+]ccn1CCOC(=O)c1cn[nH]n1 ZINC000805606206 585732975 /nfs/dbraw/zinc/73/29/75/585732975.db2.gz UTSNYCCNLMRZPM-UHFFFAOYSA-N 1 2 221.220 0.167 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1ccncn1 ZINC000778448714 585735037 /nfs/dbraw/zinc/73/50/37/585735037.db2.gz AYNLNFNXQNXMPN-UHFFFAOYSA-N 1 2 218.216 0.530 20 0 BCADLO COCC1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000778874953 585741916 /nfs/dbraw/zinc/74/19/16/585741916.db2.gz KUFSJMCOZDCYKW-UHFFFAOYSA-N 1 2 243.303 0.288 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCC=C(F)C1 ZINC000778960172 585742931 /nfs/dbraw/zinc/74/29/31/585742931.db2.gz KOCQOHVBCAAUNX-UHFFFAOYSA-N 1 2 214.240 0.998 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCC=C(F)C1 ZINC000778960172 585742932 /nfs/dbraw/zinc/74/29/32/585742932.db2.gz KOCQOHVBCAAUNX-UHFFFAOYSA-N 1 2 214.240 0.998 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CC=CCC1 ZINC000778970611 585743502 /nfs/dbraw/zinc/74/35/02/585743502.db2.gz DUXKWWRFSUPBED-UHFFFAOYSA-N 1 2 203.307 0.683 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CC=CCC1 ZINC000778970611 585743503 /nfs/dbraw/zinc/74/35/03/585743503.db2.gz DUXKWWRFSUPBED-UHFFFAOYSA-N 1 2 203.307 0.683 20 0 BCADLO CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)COC1 ZINC000779096182 585745052 /nfs/dbraw/zinc/74/50/52/585745052.db2.gz OTBXIUONJBAUNQ-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)F)CC[N@@H+]1CCO ZINC000779125733 585745577 /nfs/dbraw/zinc/74/55/77/585745577.db2.gz ZXQURKWUSCRLQE-SECBINFHSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)F)CC[N@H+]1CCO ZINC000779125733 585745578 /nfs/dbraw/zinc/74/55/78/585745578.db2.gz ZXQURKWUSCRLQE-SECBINFHSA-N 1 2 232.299 0.260 20 0 BCADLO C[N@H+](Cc1ccc(F)nc1)[C@H]1CCNC1=O ZINC000779167545 585746666 /nfs/dbraw/zinc/74/66/66/585746666.db2.gz DLNSUDWPYKGJNK-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccc(F)nc1)[C@H]1CCNC1=O ZINC000779167545 585746667 /nfs/dbraw/zinc/74/66/67/585746667.db2.gz DLNSUDWPYKGJNK-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)C ZINC000779563084 585756226 /nfs/dbraw/zinc/75/62/26/585756226.db2.gz MTZROSMKZDREGU-SECBINFHSA-N 1 2 239.275 0.197 20 0 BCADLO O=C(Cc1ccccc1CO)NCc1[nH]cc[nH+]1 ZINC000779776567 585762167 /nfs/dbraw/zinc/76/21/67/585762167.db2.gz NFKKJBNTFAFOJR-UHFFFAOYSA-N 1 2 245.282 0.761 20 0 BCADLO C[NH+](C)[C@H](C(=O)OCCO)c1ccccc1 ZINC000780087886 585772523 /nfs/dbraw/zinc/77/25/23/585772523.db2.gz MLCSJQCANRHNSO-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO COCc1nc(CO[NH+]=C(N)CCO)cs1 ZINC000780127437 585772750 /nfs/dbraw/zinc/77/27/50/585772750.db2.gz BHFTXLCZNVULQV-UHFFFAOYSA-N 1 2 245.304 0.670 20 0 BCADLO CN(C)c1nccc(C[N@H+](C)CCF)n1 ZINC000781341792 585794711 /nfs/dbraw/zinc/79/47/11/585794711.db2.gz ORLDATHGFTZSAS-UHFFFAOYSA-N 1 2 212.272 0.944 20 0 BCADLO CN(C)c1nccc(C[N@@H+](C)CCF)n1 ZINC000781341792 585794712 /nfs/dbraw/zinc/79/47/12/585794712.db2.gz ORLDATHGFTZSAS-UHFFFAOYSA-N 1 2 212.272 0.944 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781555548 585798500 /nfs/dbraw/zinc/79/85/00/585798500.db2.gz CQIILEUTVVMSGH-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781555548 585798501 /nfs/dbraw/zinc/79/85/01/585798501.db2.gz CQIILEUTVVMSGH-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO O=CN1CCC[N@H+](Cc2cscn2)CC1 ZINC000781570389 585798970 /nfs/dbraw/zinc/79/89/70/585798970.db2.gz XRBNLWUXTFNEJX-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO O=CN1CCC[N@@H+](Cc2cscn2)CC1 ZINC000781570389 585798971 /nfs/dbraw/zinc/79/89/71/585798971.db2.gz XRBNLWUXTFNEJX-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781999944 585806207 /nfs/dbraw/zinc/80/62/07/585806207.db2.gz ROXKFDBPHRYTEU-MRVPVSSYSA-N 1 2 242.275 0.122 20 0 BCADLO CCc1cc(N2CCCNC(=O)C2)nc(C)[nH+]1 ZINC000782134505 585808358 /nfs/dbraw/zinc/80/83/58/585808358.db2.gz DVEDYHQSVOGBDY-UHFFFAOYSA-N 1 2 234.303 0.674 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)O ZINC000782264558 585813323 /nfs/dbraw/zinc/81/33/23/585813323.db2.gz DQEXPYGOGOFOOR-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H](O)C1CC1 ZINC000782270663 585813368 /nfs/dbraw/zinc/81/33/68/585813368.db2.gz XGBRXOBWFNKOIS-ONGXEEELSA-N 1 2 243.303 0.021 20 0 BCADLO Cc1cc(N2CC(=O)N(C)C[C@@H]2C)nc[nH+]1 ZINC000782394321 585817202 /nfs/dbraw/zinc/81/72/02/585817202.db2.gz YQFSREOWOCNXGA-VIFPVBQESA-N 1 2 220.276 0.452 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC000782479487 585818721 /nfs/dbraw/zinc/81/87/21/585818721.db2.gz VQYWSPDMBCOVGU-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC000782479487 585818722 /nfs/dbraw/zinc/81/87/22/585818722.db2.gz VQYWSPDMBCOVGU-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000782531501 585819516 /nfs/dbraw/zinc/81/95/16/585819516.db2.gz DYVZOYDAPMWUIX-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOCC2(CC2)C1 ZINC000782531501 585819517 /nfs/dbraw/zinc/81/95/17/585819517.db2.gz DYVZOYDAPMWUIX-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCF ZINC000782569802 585820309 /nfs/dbraw/zinc/82/03/09/585820309.db2.gz ANVNBTOTQSADTK-SECBINFHSA-N 1 2 202.273 0.802 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCF ZINC000782569802 585820310 /nfs/dbraw/zinc/82/03/10/585820310.db2.gz ANVNBTOTQSADTK-SECBINFHSA-N 1 2 202.273 0.802 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCn1ccccc1=O ZINC000782584039 585820506 /nfs/dbraw/zinc/82/05/06/585820506.db2.gz HDWZTIURBAJBAI-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCn1ccccc1=O ZINC000782584039 585820507 /nfs/dbraw/zinc/82/05/07/585820507.db2.gz HDWZTIURBAJBAI-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H]1CCOC1=O ZINC000782584729 585820692 /nfs/dbraw/zinc/82/06/92/585820692.db2.gz KZJZPDHVYGGGQJ-VHSXEESVSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H]1CCOC1=O ZINC000782584729 585820693 /nfs/dbraw/zinc/82/06/93/585820693.db2.gz KZJZPDHVYGGGQJ-VHSXEESVSA-N 1 2 240.303 0.102 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782619240 585822677 /nfs/dbraw/zinc/82/26/77/585822677.db2.gz DPXLPOBIIDGXMI-WCBMZHEXSA-N 1 2 209.249 0.192 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782619240 585822678 /nfs/dbraw/zinc/82/26/78/585822678.db2.gz DPXLPOBIIDGXMI-WCBMZHEXSA-N 1 2 209.249 0.192 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631950 585823283 /nfs/dbraw/zinc/82/32/83/585823283.db2.gz INBGCQGQCAUACT-MFKMUULPSA-N 1 2 234.299 0.522 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631950 585823284 /nfs/dbraw/zinc/82/32/84/585823284.db2.gz INBGCQGQCAUACT-MFKMUULPSA-N 1 2 234.299 0.522 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782628437 585823407 /nfs/dbraw/zinc/82/34/07/585823407.db2.gz NECAWEUCGVMSLG-LPEHRKFASA-N 1 2 230.308 0.504 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782628437 585823408 /nfs/dbraw/zinc/82/34/08/585823408.db2.gz NECAWEUCGVMSLG-LPEHRKFASA-N 1 2 230.308 0.504 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634694 585823743 /nfs/dbraw/zinc/82/37/43/585823743.db2.gz SINJNUGSTRBQTO-CMPLNLGQSA-N 1 2 227.304 0.644 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634694 585823744 /nfs/dbraw/zinc/82/37/44/585823744.db2.gz SINJNUGSTRBQTO-CMPLNLGQSA-N 1 2 227.304 0.644 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1nonc1C)CC2 ZINC000782727813 585824258 /nfs/dbraw/zinc/82/42/58/585824258.db2.gz WXNNDWCKLBSVAC-UHFFFAOYSA-N 1 2 247.258 0.539 20 0 BCADLO Cn1cc(CC(=O)OCCCn2cc[nH+]c2)cn1 ZINC000783358906 585833818 /nfs/dbraw/zinc/83/38/18/585833818.db2.gz OGJGBGDJGMYBHG-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cn1cnnc1 ZINC000783540348 585836336 /nfs/dbraw/zinc/83/63/36/585836336.db2.gz VSLKBQMFRHKVHM-JTQLQIEISA-N 1 2 237.307 0.082 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cn1cnnc1 ZINC000783540348 585836337 /nfs/dbraw/zinc/83/63/37/585836337.db2.gz VSLKBQMFRHKVHM-JTQLQIEISA-N 1 2 237.307 0.082 20 0 BCADLO CC[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000783651718 585839540 /nfs/dbraw/zinc/83/95/40/585839540.db2.gz LAVRFWSVYRXFGH-IAQYHMDHSA-N 1 2 232.393 0.781 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000784135801 585851174 /nfs/dbraw/zinc/85/11/74/585851174.db2.gz RTRVCZRQHJYHCF-MNOVXSKESA-N 1 2 243.326 0.097 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1CO ZINC000784243050 585853386 /nfs/dbraw/zinc/85/33/86/585853386.db2.gz IVARNTIGNJMJDN-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCSC[C@H]1CO ZINC000784243050 585853387 /nfs/dbraw/zinc/85/33/87/585853387.db2.gz IVARNTIGNJMJDN-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[NH+](C)CC1 ZINC000784274379 585854092 /nfs/dbraw/zinc/85/40/92/585854092.db2.gz IZBWBZVSSXVKIP-VIFPVBQESA-N 1 2 202.273 0.755 20 0 BCADLO C[C@H]1C[C@@H](C(=O)OCCn2cc[nH+]c2)CO1 ZINC000784278752 585854134 /nfs/dbraw/zinc/85/41/34/585854134.db2.gz UQMBKUBSNDTEFU-VHSXEESVSA-N 1 2 224.260 0.851 20 0 BCADLO C[C@@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)CO1 ZINC000784523075 585862180 /nfs/dbraw/zinc/86/21/80/585862180.db2.gz FMVZFICHZNMVLE-BDAKNGLRSA-N 1 2 224.260 0.888 20 0 BCADLO C[C@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)CO1 ZINC000784523076 585862347 /nfs/dbraw/zinc/86/23/47/585862347.db2.gz FMVZFICHZNMVLE-DTWKUNHWSA-N 1 2 224.260 0.888 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cncnc1 ZINC000784715169 585865711 /nfs/dbraw/zinc/86/57/11/585865711.db2.gz YZHFGHAERDKBFW-UHFFFAOYSA-N 1 2 232.243 0.920 20 0 BCADLO CC[C@H](OC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784917413 585868521 /nfs/dbraw/zinc/86/85/21/585868521.db2.gz KAPKBDBOJGZBMU-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCCOCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784914044 585868645 /nfs/dbraw/zinc/86/86/45/585868645.db2.gz JWAZJTLZSMBMTR-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC(=O)N(C)OC)CCO1 ZINC000785496595 585874420 /nfs/dbraw/zinc/87/44/20/585874420.db2.gz XSRDOXMDLXZHLP-NSHDSACASA-N 1 2 230.308 0.507 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC(=O)N(C)OC)CCO1 ZINC000785496595 585874421 /nfs/dbraw/zinc/87/44/21/585874421.db2.gz XSRDOXMDLXZHLP-NSHDSACASA-N 1 2 230.308 0.507 20 0 BCADLO CC[N@H+](CCOC)Cn1cc2[nH]cccc-2c1=O ZINC000785499606 585874909 /nfs/dbraw/zinc/87/49/09/585874909.db2.gz HUPBSVHFRQVFJT-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO CC[N@@H+](CCOC)Cn1cc2[nH]cccc-2c1=O ZINC000785499606 585874910 /nfs/dbraw/zinc/87/49/10/585874910.db2.gz HUPBSVHFRQVFJT-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCC1(O)CC1 ZINC000785518460 585875178 /nfs/dbraw/zinc/87/51/78/585875178.db2.gz PRBOTPPBIMTXMO-UHFFFAOYSA-N 1 2 216.281 0.825 20 0 BCADLO C[C@@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000786738190 585896844 /nfs/dbraw/zinc/89/68/44/585896844.db2.gz JURHQPHQVFXKDX-MRVPVSSYSA-N 1 2 232.243 0.587 20 0 BCADLO C[C@H](O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786822115 585897567 /nfs/dbraw/zinc/89/75/67/585897567.db2.gz ZXWRJHSEHITOOX-UWVGGRQHSA-N 1 2 239.319 0.795 20 0 BCADLO COCCONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787117067 585901590 /nfs/dbraw/zinc/90/15/90/585901590.db2.gz WTWOIJXDOCWAKL-VIFPVBQESA-N 1 2 239.275 0.140 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000787229566 585903691 /nfs/dbraw/zinc/90/36/91/585903691.db2.gz RFINXPUJXYFAPS-GMTAPVOTSA-N 1 2 244.310 0.871 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000787229566 585903692 /nfs/dbraw/zinc/90/36/92/585903692.db2.gz RFINXPUJXYFAPS-GMTAPVOTSA-N 1 2 244.310 0.871 20 0 BCADLO C[C@H]([C@H](C)NC(=O)C(F)F)[NH+]1CCOCC1 ZINC000787325132 585907009 /nfs/dbraw/zinc/90/70/09/585907009.db2.gz WPRSIUNLNHCBQM-JGVFFNPUSA-N 1 2 236.262 0.477 20 0 BCADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787453268 585909556 /nfs/dbraw/zinc/90/95/56/585909556.db2.gz QGJPNBTZAQSHNK-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000787455858 585909857 /nfs/dbraw/zinc/90/98/57/585909857.db2.gz WILCVORTKHOEJY-YFKPBYRVSA-N 1 2 215.203 0.648 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C(F)F ZINC000787455858 585909858 /nfs/dbraw/zinc/90/98/58/585909858.db2.gz WILCVORTKHOEJY-YFKPBYRVSA-N 1 2 215.203 0.648 20 0 BCADLO C[C@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ncc[nH]1 ZINC000787761566 585915478 /nfs/dbraw/zinc/91/54/78/585915478.db2.gz KTSRGUZXPSTSBO-DCAQKATOSA-N 1 2 238.335 0.779 20 0 BCADLO C[C@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ncc[nH]1 ZINC000787761566 585915479 /nfs/dbraw/zinc/91/54/79/585915479.db2.gz KTSRGUZXPSTSBO-DCAQKATOSA-N 1 2 238.335 0.779 20 0 BCADLO C[C@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ncc[nH]1 ZINC000787761571 585915524 /nfs/dbraw/zinc/91/55/24/585915524.db2.gz KTSRGUZXPSTSBO-GARJFASQSA-N 1 2 238.335 0.779 20 0 BCADLO C[C@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ncc[nH]1 ZINC000787761571 585915525 /nfs/dbraw/zinc/91/55/25/585915525.db2.gz KTSRGUZXPSTSBO-GARJFASQSA-N 1 2 238.335 0.779 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOC[C@@H]1CCOC1 ZINC000788269580 585920432 /nfs/dbraw/zinc/92/04/32/585920432.db2.gz AZUVHQRXTBWLFP-SNVBAGLBSA-N 1 2 239.275 0.358 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000788539666 585926599 /nfs/dbraw/zinc/92/65/99/585926599.db2.gz SMGSSZUZKYHASL-UWVGGRQHSA-N 1 2 245.282 0.930 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000788923819 585931962 /nfs/dbraw/zinc/93/19/62/585931962.db2.gz RKPXEOSFGFTUDC-LCKPPEIMSA-N 1 2 237.347 0.459 20 0 BCADLO COC[C@H]([NH2+]Cc1nonc1C)[C@@H]1CCCO1 ZINC000789382147 585941947 /nfs/dbraw/zinc/94/19/47/585941947.db2.gz JTWKYJUTNZAHCZ-QWRGUYRKSA-N 1 2 241.291 0.662 20 0 BCADLO CCn1ccc(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000789488554 585943608 /nfs/dbraw/zinc/94/36/08/585943608.db2.gz YBQXVCVERKVLQX-UHFFFAOYSA-N 1 2 244.360 0.984 20 0 BCADLO CCn1ccc(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000789488554 585943609 /nfs/dbraw/zinc/94/36/09/585943609.db2.gz YBQXVCVERKVLQX-UHFFFAOYSA-N 1 2 244.360 0.984 20 0 BCADLO CC[C@H](C)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789605085 585945884 /nfs/dbraw/zinc/94/58/84/585945884.db2.gz DTQGKSUYIAMMBQ-IUCAKERBSA-N 1 2 243.307 0.579 20 0 BCADLO CC(C)OC[C@H](O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789607834 585946358 /nfs/dbraw/zinc/94/63/58/585946358.db2.gz IGVOFSJZKOLOJK-UWVGGRQHSA-N 1 2 246.307 0.450 20 0 BCADLO Cn1nccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612905 585946620 /nfs/dbraw/zinc/94/66/20/585946620.db2.gz RJZISTZVWXYQOH-SECBINFHSA-N 1 2 224.264 0.598 20 0 BCADLO CC(C)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789627887 585947274 /nfs/dbraw/zinc/94/72/74/585947274.db2.gz RUTGLGVCACTXJP-MRVPVSSYSA-N 1 2 229.280 0.188 20 0 BCADLO CCCCNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789627272 585947276 /nfs/dbraw/zinc/94/72/76/585947276.db2.gz MUQGPVRKOVJXMY-VIFPVBQESA-N 1 2 243.307 0.580 20 0 BCADLO Cc1[nH]ncc1C(=O)OCCc1c[nH+]cn1C ZINC000805922635 585964318 /nfs/dbraw/zinc/96/43/18/585964318.db2.gz LWXFEEQSAYRHSB-UHFFFAOYSA-N 1 2 234.259 0.851 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000790555078 585965972 /nfs/dbraw/zinc/96/59/72/585965972.db2.gz NDFAACRYHPZVMW-AEJSXWLSSA-N 1 2 243.303 0.869 20 0 BCADLO Cn1ncc(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000790568013 585966195 /nfs/dbraw/zinc/96/61/95/585966195.db2.gz KJAHRBNXILZFGX-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO COC/C=C/C(=O)NCc1ccc[nH+]c1N(C)C ZINC000791322877 585977363 /nfs/dbraw/zinc/97/73/63/585977363.db2.gz OPFWGHKUXIEWFJ-FNORWQNLSA-N 1 2 249.314 0.966 20 0 BCADLO COC/C=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000791326656 585977384 /nfs/dbraw/zinc/97/73/84/585977384.db2.gz HHQMDJXTXQVZGE-PGLGOXFNSA-N 1 2 242.319 0.026 20 0 BCADLO Cn1cc(CC(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000791827570 585989026 /nfs/dbraw/zinc/98/90/26/585989026.db2.gz VAQWFIJZIILTRI-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO CCON(C)C(=O)NCCCn1cc[nH+]c1 ZINC000792572966 586003010 /nfs/dbraw/zinc/00/30/10/586003010.db2.gz ZOFHUHFZXKXBGD-UHFFFAOYSA-N 1 2 226.280 0.866 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1Cn1cnnc1 ZINC000792721983 586004198 /nfs/dbraw/zinc/00/41/98/586004198.db2.gz IFHRSADIDBBKAH-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1Cn1cnnc1 ZINC000792721983 586004199 /nfs/dbraw/zinc/00/41/99/586004199.db2.gz IFHRSADIDBBKAH-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO CO[C@@H]1C[N@H+](Cn2cc(Cl)cn2)C[C@@H]1OC ZINC000792713352 586004222 /nfs/dbraw/zinc/00/42/22/586004222.db2.gz JGHJTLIDASQPCI-AOOOYVTPSA-N 1 2 245.710 0.840 20 0 BCADLO CO[C@@H]1C[N@@H+](Cn2cc(Cl)cn2)C[C@@H]1OC ZINC000792713352 586004223 /nfs/dbraw/zinc/00/42/23/586004223.db2.gz JGHJTLIDASQPCI-AOOOYVTPSA-N 1 2 245.710 0.840 20 0 BCADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)n[nH]1 ZINC000793237496 586014760 /nfs/dbraw/zinc/01/47/60/586014760.db2.gz IHZXMZQZZQPVPY-UHFFFAOYSA-N 1 2 234.259 0.851 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1ccnn1C ZINC000793255567 586015410 /nfs/dbraw/zinc/01/54/10/586015410.db2.gz MOTKNWINEKKRFI-UHFFFAOYSA-N 1 2 234.259 0.553 20 0 BCADLO CC(C)([NH2+]Cc1ncc[nH]1)C(=O)N1CCCC1 ZINC000793397135 586018241 /nfs/dbraw/zinc/01/82/41/586018241.db2.gz WGFZKLHGSZUWLT-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1OCCO1 ZINC000793466675 586020598 /nfs/dbraw/zinc/02/05/98/586020598.db2.gz ZGSNKIYJKYYMOU-UHFFFAOYSA-N 1 2 225.248 0.131 20 0 BCADLO S=c1[nH]ccn1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000793624532 586024517 /nfs/dbraw/zinc/02/45/17/586024517.db2.gz XZGYMMNFUVAZBW-SFYZADRCSA-N 1 2 211.290 0.602 20 0 BCADLO S=c1[nH]ccn1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000793624532 586024518 /nfs/dbraw/zinc/02/45/18/586024518.db2.gz XZGYMMNFUVAZBW-SFYZADRCSA-N 1 2 211.290 0.602 20 0 BCADLO S=c1[nH]ccn1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793624531 586024594 /nfs/dbraw/zinc/02/45/94/586024594.db2.gz XZGYMMNFUVAZBW-JGVFFNPUSA-N 1 2 211.290 0.602 20 0 BCADLO S=c1[nH]ccn1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793624531 586024595 /nfs/dbraw/zinc/02/45/95/586024595.db2.gz XZGYMMNFUVAZBW-JGVFFNPUSA-N 1 2 211.290 0.602 20 0 BCADLO C[C@H]1COCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793731193 586025521 /nfs/dbraw/zinc/02/55/21/586025521.db2.gz ZGRNVXWMRUJLOI-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO C[C@H]1COCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793731193 586025522 /nfs/dbraw/zinc/02/55/22/586025522.db2.gz ZGRNVXWMRUJLOI-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](CO)C1CC1 ZINC000793765760 586026096 /nfs/dbraw/zinc/02/60/96/586026096.db2.gz MFGLLCIFSPTFEZ-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](CO)C1CC1 ZINC000793765760 586026097 /nfs/dbraw/zinc/02/60/97/586026097.db2.gz MFGLLCIFSPTFEZ-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO CCOCCONC(=O)CCc1c[nH+]c[nH]1 ZINC000793842172 586027855 /nfs/dbraw/zinc/02/78/55/586027855.db2.gz AQUZBOSRCNRKDK-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO CCOCCONC(=O)CCc1c[nH]c[nH+]1 ZINC000793842172 586027856 /nfs/dbraw/zinc/02/78/56/586027856.db2.gz AQUZBOSRCNRKDK-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)ncn1 ZINC000794355898 586038438 /nfs/dbraw/zinc/03/84/38/586038438.db2.gz WNYPRRGGLHUYOL-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)ncn1 ZINC000794355898 586038439 /nfs/dbraw/zinc/03/84/39/586038439.db2.gz WNYPRRGGLHUYOL-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000794449812 586039700 /nfs/dbraw/zinc/03/97/00/586039700.db2.gz NRANDKWABBMJOO-QMMMGPOBSA-N 1 2 209.297 0.249 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000794449812 586039701 /nfs/dbraw/zinc/03/97/01/586039701.db2.gz NRANDKWABBMJOO-QMMMGPOBSA-N 1 2 209.297 0.249 20 0 BCADLO CC[C@@](C)([NH2+]CC[C@@H]1CCOC1=O)C(=O)OC ZINC000794454345 586040070 /nfs/dbraw/zinc/04/00/70/586040070.db2.gz XJUUSPFQQGBYSR-BXKDBHETSA-N 1 2 243.303 0.871 20 0 BCADLO NC(=[NH+]O[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000794520639 586041526 /nfs/dbraw/zinc/04/15/26/586041526.db2.gz JNFNARGTGUAQBU-YUMQZZPRSA-N 1 2 200.238 0.453 20 0 BCADLO NC(C[NH+]1CCSCC1)=NO[C@H]1CCOC1 ZINC000794521430 586041558 /nfs/dbraw/zinc/04/15/58/586041558.db2.gz LNPHTEBFEATFIY-VIFPVBQESA-N 1 2 245.348 0.323 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1cnnc1)CCO2 ZINC000794669763 586046307 /nfs/dbraw/zinc/04/63/07/586046307.db2.gz TYTAKZJCGGYWQZ-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1cnnc1)CCO2 ZINC000794669763 586046308 /nfs/dbraw/zinc/04/63/08/586046308.db2.gz TYTAKZJCGGYWQZ-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO CN1C(=O)CN(C[NH+]2CCC(F)(F)CC2)C1=O ZINC000794684970 586046730 /nfs/dbraw/zinc/04/67/30/586046730.db2.gz DQVJTMIZEOOMKX-UHFFFAOYSA-N 1 2 247.245 0.569 20 0 BCADLO Cc1ccc(OCc2c[nH+]cn2C)c[n+]1[O-] ZINC000794722541 586047661 /nfs/dbraw/zinc/04/76/61/586047661.db2.gz ZANIKSBWTRJFRS-UHFFFAOYSA-N 1 2 219.244 0.941 20 0 BCADLO CC[N@H+](Cc1ccnc(F)c1)[C@H]1CCNC1=O ZINC000859294936 589028326 /nfs/dbraw/zinc/02/83/26/589028326.db2.gz AZOVLNLLEYHWCK-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1ccnc(F)c1)[C@H]1CCNC1=O ZINC000859294936 589028328 /nfs/dbraw/zinc/02/83/28/589028328.db2.gz AZOVLNLLEYHWCK-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795127521 586069134 /nfs/dbraw/zinc/06/91/34/586069134.db2.gz BZVHSWXBJLERSS-UWVGGRQHSA-N 1 2 243.376 0.286 20 0 BCADLO COCC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000795507713 586082184 /nfs/dbraw/zinc/08/21/84/586082184.db2.gz XKDVJKQCUPNWKK-UHFFFAOYSA-N 1 2 248.238 0.707 20 0 BCADLO CCn1ncc(C[N@@H+]2CCc3nc[nH]c3C2)n1 ZINC000859305315 589030042 /nfs/dbraw/zinc/03/00/42/589030042.db2.gz DMTOOSNCIHXFBU-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1ncc(C[N@H+]2CCc3nc[nH]c3C2)n1 ZINC000859305315 589030044 /nfs/dbraw/zinc/03/00/44/589030044.db2.gz DMTOOSNCIHXFBU-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CC[C@@H]1C[N@H+](CC(OC)OC)C[C@H](C)[S@]1=O ZINC000796368734 586101941 /nfs/dbraw/zinc/10/19/41/586101941.db2.gz WQIRXYDWMCCAFZ-YNHOBRIKSA-N 1 2 249.376 0.837 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(OC)OC)C[C@H](C)[S@]1=O ZINC000796368734 586101942 /nfs/dbraw/zinc/10/19/42/586101942.db2.gz WQIRXYDWMCCAFZ-YNHOBRIKSA-N 1 2 249.376 0.837 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C1(CO)CC1 ZINC000796500329 586105519 /nfs/dbraw/zinc/10/55/19/586105519.db2.gz FOTLJQJJESSXLW-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000796500329 586105520 /nfs/dbraw/zinc/10/55/20/586105520.db2.gz FOTLJQJJESSXLW-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO Cc1ccc(C[N@H+](CCO)CC2OCCO2)o1 ZINC000796558070 586106627 /nfs/dbraw/zinc/10/66/27/586106627.db2.gz BRYVEVBWIZQGMB-UHFFFAOYSA-N 1 2 241.287 0.755 20 0 BCADLO Cc1ccc(C[N@@H+](CCO)CC2OCCO2)o1 ZINC000796558070 586106628 /nfs/dbraw/zinc/10/66/28/586106628.db2.gz BRYVEVBWIZQGMB-UHFFFAOYSA-N 1 2 241.287 0.755 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@]2(CCOC2)O1 ZINC000796556953 586106655 /nfs/dbraw/zinc/10/66/55/586106655.db2.gz SFAGQTTYTAXYEG-JQWIXIFHSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@]2(CCOC2)O1 ZINC000796556953 586106656 /nfs/dbraw/zinc/10/66/56/586106656.db2.gz SFAGQTTYTAXYEG-JQWIXIFHSA-N 1 2 243.303 0.239 20 0 BCADLO CS(=O)(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000796542943 586106701 /nfs/dbraw/zinc/10/67/01/586106701.db2.gz MYGLTKJWFHIFNO-UHFFFAOYSA-N 1 2 227.276 0.762 20 0 BCADLO CC1=C[C@@H](C)C[N@H+](Cn2ncn(C)c2=O)C1 ZINC000797416583 586126671 /nfs/dbraw/zinc/12/66/71/586126671.db2.gz JENCOOLNLRXONZ-SECBINFHSA-N 1 2 222.292 0.437 20 0 BCADLO CC1=C[C@@H](C)C[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000797416583 586126672 /nfs/dbraw/zinc/12/66/72/586126672.db2.gz JENCOOLNLRXONZ-SECBINFHSA-N 1 2 222.292 0.437 20 0 BCADLO CC(=O)OCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000798137157 586138059 /nfs/dbraw/zinc/13/80/59/586138059.db2.gz RHNMYVTWGVYWTD-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@](C)=O)[C@H](C)CO1 ZINC000798192323 586139084 /nfs/dbraw/zinc/13/90/84/586139084.db2.gz BZWAQHBKJMYDMT-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)[C@H](C)CO1 ZINC000798192323 586139085 /nfs/dbraw/zinc/13/90/85/586139085.db2.gz BZWAQHBKJMYDMT-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2CCOC3(CCC3)C2)C(=O)N1 ZINC000799150572 586161997 /nfs/dbraw/zinc/16/19/97/586161997.db2.gz WOCDIWCULCLJMX-SECBINFHSA-N 1 2 238.287 0.047 20 0 BCADLO O=C1CC[C@@H]([N@H+]2CCOC3(CCC3)C2)C(=O)N1 ZINC000799150572 586161999 /nfs/dbraw/zinc/16/19/99/586161999.db2.gz WOCDIWCULCLJMX-SECBINFHSA-N 1 2 238.287 0.047 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799161246 586162981 /nfs/dbraw/zinc/16/29/81/586162981.db2.gz QPJAAOHQZHQPEO-VHSXEESVSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799161246 586162982 /nfs/dbraw/zinc/16/29/82/586162982.db2.gz QPJAAOHQZHQPEO-VHSXEESVSA-N 1 2 240.303 0.148 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)[nH]1 ZINC000799194287 586166591 /nfs/dbraw/zinc/16/65/91/586166591.db2.gz FGKNLFWOVJPUNJ-SECBINFHSA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](c3ccccn3)C2)[nH]1 ZINC000799194287 586166593 /nfs/dbraw/zinc/16/65/93/586166593.db2.gz FGKNLFWOVJPUNJ-SECBINFHSA-N 1 2 245.286 0.895 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cn2)CCO1 ZINC000799292404 586168699 /nfs/dbraw/zinc/16/86/99/586168699.db2.gz ALNDENNYIJRBCX-BXKDBHETSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cn2)CCO1 ZINC000799292404 586168701 /nfs/dbraw/zinc/16/87/01/586168701.db2.gz ALNDENNYIJRBCX-BXKDBHETSA-N 1 2 240.278 0.975 20 0 BCADLO O[C@@H](C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000799292904 586168760 /nfs/dbraw/zinc/16/87/60/586168760.db2.gz PKMUXYUWFYYBQB-NSHDSACASA-N 1 2 226.251 0.586 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cn2)CCO1 ZINC000799292405 586168771 /nfs/dbraw/zinc/16/87/71/586168771.db2.gz ALNDENNYIJRBCX-CABZTGNLSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cn2)CCO1 ZINC000799292405 586168772 /nfs/dbraw/zinc/16/87/72/586168772.db2.gz ALNDENNYIJRBCX-CABZTGNLSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cn2)CCO1 ZINC000799292407 586168846 /nfs/dbraw/zinc/16/88/46/586168846.db2.gz ALNDENNYIJRBCX-SKDRFNHKSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cn2)CCO1 ZINC000799292407 586168847 /nfs/dbraw/zinc/16/88/47/586168847.db2.gz ALNDENNYIJRBCX-SKDRFNHKSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)cn2)CCO1 ZINC000799292406 586169055 /nfs/dbraw/zinc/16/90/55/586169055.db2.gz ALNDENNYIJRBCX-JOYOIKCWSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cn2)CCO1 ZINC000799292406 586169058 /nfs/dbraw/zinc/16/90/58/586169058.db2.gz ALNDENNYIJRBCX-JOYOIKCWSA-N 1 2 240.278 0.975 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800143830 586205600 /nfs/dbraw/zinc/20/56/00/586205600.db2.gz HTVHNSBNPCITQM-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800143830 586205602 /nfs/dbraw/zinc/20/56/02/586205602.db2.gz HTVHNSBNPCITQM-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO O[C@H]1C[NH+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000859455498 589038864 /nfs/dbraw/zinc/03/88/64/589038864.db2.gz KDMBJRJMDPQSQZ-UJBUBEMVSA-N 1 2 212.076 0.343 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559570 586261810 /nfs/dbraw/zinc/26/18/10/586261810.db2.gz CBGPRRLPYRAAFY-SECBINFHSA-N 1 2 236.262 0.479 20 0 BCADLO CC(=O)NCCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559570 586261812 /nfs/dbraw/zinc/26/18/12/586261812.db2.gz CBGPRRLPYRAAFY-SECBINFHSA-N 1 2 236.262 0.479 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCO[C@H](C(F)F)C2)C1=O ZINC000801565346 586263490 /nfs/dbraw/zinc/26/34/90/586263490.db2.gz BQSMDEJUHYFKGF-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCO[C@H](C(F)F)C2)C1=O ZINC000801565346 586263493 /nfs/dbraw/zinc/26/34/93/586263493.db2.gz BQSMDEJUHYFKGF-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589482 586264885 /nfs/dbraw/zinc/26/48/85/586264885.db2.gz FYEDZJBMRRJMFJ-YOFDESEISA-N 1 2 241.287 0.205 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589482 586264888 /nfs/dbraw/zinc/26/48/88/586264888.db2.gz FYEDZJBMRRJMFJ-YOFDESEISA-N 1 2 241.287 0.205 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000808727386 586267323 /nfs/dbraw/zinc/26/73/23/586267323.db2.gz ZONNPEGJKFCJND-JTQLQIEISA-N 1 2 249.376 0.967 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000808727386 586267324 /nfs/dbraw/zinc/26/73/24/586267324.db2.gz ZONNPEGJKFCJND-JTQLQIEISA-N 1 2 249.376 0.967 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCOCC12CC2 ZINC000801981654 586285474 /nfs/dbraw/zinc/28/54/74/586285474.db2.gz ZHFLYWWUPLTWHO-XCVCLJGOSA-N 1 2 225.288 0.971 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCOCC12CC2 ZINC000801981654 586285475 /nfs/dbraw/zinc/28/54/75/586285475.db2.gz ZHFLYWWUPLTWHO-XCVCLJGOSA-N 1 2 225.288 0.971 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239976 586298938 /nfs/dbraw/zinc/29/89/38/586298938.db2.gz SSQGDQHAHSXDRK-WCBMZHEXSA-N 1 2 246.282 0.098 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239976 586298940 /nfs/dbraw/zinc/29/89/40/586298940.db2.gz SSQGDQHAHSXDRK-WCBMZHEXSA-N 1 2 246.282 0.098 20 0 BCADLO Cn1nncc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240687 586299297 /nfs/dbraw/zinc/29/92/97/586299297.db2.gz DEFHGOXWTFHDJB-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1nncc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240687 586299298 /nfs/dbraw/zinc/29/92/98/586299298.db2.gz DEFHGOXWTFHDJB-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO C[N@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@H]1CCOC1 ZINC000839994715 586336932 /nfs/dbraw/zinc/33/69/32/586336932.db2.gz QMVZCPQTEBMVGX-AXFHLTTASA-N 1 2 224.304 0.676 20 0 BCADLO C[N@@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@H]1CCOC1 ZINC000839994715 586336934 /nfs/dbraw/zinc/33/69/34/586336934.db2.gz QMVZCPQTEBMVGX-AXFHLTTASA-N 1 2 224.304 0.676 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H]2C[C@H]2C)C1 ZINC000859571061 589045988 /nfs/dbraw/zinc/04/59/88/589045988.db2.gz MVPYFAZGKWZGME-MXWKQRLJSA-N 1 2 227.304 0.906 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H]2C[C@H]2C)C1 ZINC000859571061 589045990 /nfs/dbraw/zinc/04/59/90/589045990.db2.gz MVPYFAZGKWZGME-MXWKQRLJSA-N 1 2 227.304 0.906 20 0 BCADLO CC[S@](=O)CC(=O)OCCCn1cc[nH+]c1 ZINC000803479556 586360487 /nfs/dbraw/zinc/36/04/87/586360487.db2.gz XZRNIBJFVWTDDT-INIZCTEOSA-N 1 2 244.316 0.585 20 0 BCADLO CC(C)[C@@H](C(=O)OCC(=O)C(F)F)[NH+](C)C ZINC000803492902 586362067 /nfs/dbraw/zinc/36/20/67/586362067.db2.gz ICIYWLWOQFCCLC-QMMMGPOBSA-N 1 2 237.246 0.950 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@@H](C)[C@H]2C)C1=O ZINC000840028615 586384182 /nfs/dbraw/zinc/38/41/82/586384182.db2.gz PFDQMBQTEALQMY-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@@H](C)[C@H]2C)C1=O ZINC000840028615 586384184 /nfs/dbraw/zinc/38/41/84/586384184.db2.gz PFDQMBQTEALQMY-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336942 586390327 /nfs/dbraw/zinc/39/03/27/586390327.db2.gz RVMMLHASEBSIPB-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336939 586391246 /nfs/dbraw/zinc/39/12/46/586391246.db2.gz RVMMLHASEBSIPB-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO COC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804437524 586394532 /nfs/dbraw/zinc/39/45/32/586394532.db2.gz DCPSMJWSCSDZTE-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1cnn(C)n1 ZINC000806380175 586410986 /nfs/dbraw/zinc/41/09/86/586410986.db2.gz IOPZSTAFZKCQRR-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CCSC1=O ZINC000840082388 586422518 /nfs/dbraw/zinc/42/25/18/586422518.db2.gz DSDXTPZYBDMLLT-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CCSC1=O ZINC000840082388 586422519 /nfs/dbraw/zinc/42/25/19/586422519.db2.gz DSDXTPZYBDMLLT-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO C[N@H+](C/C=C/Cl)CC(=O)N1CCOCC1 ZINC000807271164 586431018 /nfs/dbraw/zinc/43/10/18/586431018.db2.gz NAINSAXKDKNFAK-NSCUHMNNSA-N 1 2 232.711 0.530 20 0 BCADLO C[N@@H+](C/C=C/Cl)CC(=O)N1CCOCC1 ZINC000807271164 586431019 /nfs/dbraw/zinc/43/10/19/586431019.db2.gz NAINSAXKDKNFAK-NSCUHMNNSA-N 1 2 232.711 0.530 20 0 BCADLO CC[NH2+]Cc1noc(C(=O)c2cnn(C)c2)n1 ZINC000843145190 586444599 /nfs/dbraw/zinc/44/45/99/586444599.db2.gz GVFVIWPOJDJBTK-UHFFFAOYSA-N 1 2 235.247 0.144 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808169222 586466089 /nfs/dbraw/zinc/46/60/89/586466089.db2.gz XGTLASWMRFMEST-SECBINFHSA-N 1 2 237.307 0.464 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808169222 586466090 /nfs/dbraw/zinc/46/60/90/586466090.db2.gz XGTLASWMRFMEST-SECBINFHSA-N 1 2 237.307 0.464 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000808396152 586471349 /nfs/dbraw/zinc/47/13/49/586471349.db2.gz VDFMVRHOJKGVOU-SNVBAGLBSA-N 1 2 231.303 0.790 20 0 BCADLO COc1cncc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000808718938 586484501 /nfs/dbraw/zinc/48/45/01/586484501.db2.gz QKYSIJSFECENDP-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cncc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000808718938 586484503 /nfs/dbraw/zinc/48/45/03/586484503.db2.gz QKYSIJSFECENDP-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO CCN1CC[N@H+](CCC(=O)C(C)C)CC1=O ZINC000808747068 586487427 /nfs/dbraw/zinc/48/74/27/586487427.db2.gz ZHZBZLJXROCQTR-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)C(C)C)CC1=O ZINC000808747068 586487428 /nfs/dbraw/zinc/48/74/28/586487428.db2.gz ZHZBZLJXROCQTR-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808751217 586487885 /nfs/dbraw/zinc/48/78/85/586487885.db2.gz UFHXSPQQYQABKK-QWRGUYRKSA-N 1 2 245.319 0.005 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808751217 586487886 /nfs/dbraw/zinc/48/78/86/586487886.db2.gz UFHXSPQQYQABKK-QWRGUYRKSA-N 1 2 245.319 0.005 20 0 BCADLO Cn1nncc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000809128713 586498478 /nfs/dbraw/zinc/49/84/78/586498478.db2.gz CCPFFZOQINQPNB-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO Cn1nncc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000809128713 586498480 /nfs/dbraw/zinc/49/84/80/586498480.db2.gz CCPFFZOQINQPNB-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO CCOC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809934886 586523769 /nfs/dbraw/zinc/52/37/69/586523769.db2.gz KQQNMTWYLXOKTO-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[NH+]2CCC(c3cn[nH]c3)CC2)n1 ZINC000809938860 586524558 /nfs/dbraw/zinc/52/45/58/586524558.db2.gz MGHYZLNZCCJNTB-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO COCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809946185 586525153 /nfs/dbraw/zinc/52/51/53/586525153.db2.gz QVDQCUPNDWRXNB-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809985641 586528942 /nfs/dbraw/zinc/52/89/42/586528942.db2.gz RPZHYRVIZFAITP-PSASIEDQSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809985641 586528943 /nfs/dbraw/zinc/52/89/43/586528943.db2.gz RPZHYRVIZFAITP-PSASIEDQSA-N 1 2 238.291 0.199 20 0 BCADLO C[C@@H]1CN(CC[NH2+][C@]2(C)CCOC2=O)CCO1 ZINC000810096645 586533557 /nfs/dbraw/zinc/53/35/57/586533557.db2.gz SAZFUKCSTSDTTB-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@]1([NH2+]CCO[C@@H]2CCCCO2)CCOC1=O ZINC000810094705 586533677 /nfs/dbraw/zinc/53/36/77/586533677.db2.gz ZCIHTJNUSLLKNI-PWSUYJOCSA-N 1 2 243.303 0.825 20 0 BCADLO CC(C)OCC[C@H](O)C[NH2+][C@]1(C)CCOC1=O ZINC000810096432 586533786 /nfs/dbraw/zinc/53/37/86/586533786.db2.gz NAQYZCTZPCXUBE-CMPLNLGQSA-N 1 2 245.319 0.458 20 0 BCADLO CC(C)OCC[C@@H](O)C[NH2+][C@]1(C)CCOC1=O ZINC000810096435 586533916 /nfs/dbraw/zinc/53/39/16/586533916.db2.gz NAQYZCTZPCXUBE-ZYHUDNBSSA-N 1 2 245.319 0.458 20 0 BCADLO Cn1cc(CCC[NH2+][C@@]2(C)CCOC2=O)cn1 ZINC000810095503 586533954 /nfs/dbraw/zinc/53/39/54/586533954.db2.gz NRYIPIAASXHYAI-LBPRGKRZSA-N 1 2 237.303 0.648 20 0 BCADLO COc1ncc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000810755135 586546168 /nfs/dbraw/zinc/54/61/68/586546168.db2.gz LOKYJHZMHGRTOG-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1CCCOC1 ZINC000810757716 586546592 /nfs/dbraw/zinc/54/65/92/586546592.db2.gz SZFHLRUIVTZJNI-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO CN(C)c1cc(CSCC(N)=O)cc[nH+]1 ZINC000840212951 586548763 /nfs/dbraw/zinc/54/87/63/586548763.db2.gz PVMGYABYTNSYPK-UHFFFAOYSA-N 1 2 225.317 0.866 20 0 BCADLO Cn1cnc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000811228102 586557748 /nfs/dbraw/zinc/55/77/48/586557748.db2.gz CLVCTBMWEUTSED-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO CCC1(C(=O)NCc2c[nH+]cn2C)COC1 ZINC000811588821 586561523 /nfs/dbraw/zinc/56/15/23/586561523.db2.gz XZCMYNDXZUAMCP-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1c[nH+]cn1C ZINC000811589346 586561776 /nfs/dbraw/zinc/56/17/76/586561776.db2.gz SREBWJALUSVEFA-SECBINFHSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@H]1NC(=S)N(Cc2c[nH+]cn2C)C1=O ZINC000811623769 586561949 /nfs/dbraw/zinc/56/19/49/586561949.db2.gz FQXYJAVWUSJQOW-ZCFIWIBFSA-N 1 2 224.289 0.025 20 0 BCADLO S=C1OCCN1CN1CCn2c[nH+]cc2C1 ZINC000811787510 586566675 /nfs/dbraw/zinc/56/66/75/586566675.db2.gz MYBWHYUYLDPDAR-UHFFFAOYSA-N 1 2 238.316 0.273 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC1CC=CC1 ZINC000811893584 586568369 /nfs/dbraw/zinc/56/83/69/586568369.db2.gz IJWXVMFVKVRFPI-UHFFFAOYSA-N 1 2 220.276 0.938 20 0 BCADLO C[C@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000812488916 586578024 /nfs/dbraw/zinc/57/80/24/586578024.db2.gz JBTMYNWOUXPKKJ-QMMMGPOBSA-N 1 2 208.265 0.724 20 0 BCADLO CC[N@H+](CCS(=O)(=O)CC)[C@@H]1CCOC1 ZINC000812878812 586588136 /nfs/dbraw/zinc/58/81/36/586588136.db2.gz IBFUVQFSIOKSJQ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CC[N@H+](CCS(=O)(=O)C(C)C)[C@@H]1CCOC1 ZINC000812879789 586588157 /nfs/dbraw/zinc/58/81/57/586588157.db2.gz VMKHXLPHQZULSA-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(=O)(=O)C(C)C)[C@@H]1CCOC1 ZINC000812879789 586588158 /nfs/dbraw/zinc/58/81/58/586588158.db2.gz VMKHXLPHQZULSA-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](CC)[C@H]1CCOC1 ZINC000812879367 586588289 /nfs/dbraw/zinc/58/82/89/586588289.db2.gz PAKUVDVXRPEHEM-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](CC)[C@H]1CCOC1 ZINC000812879367 586588290 /nfs/dbraw/zinc/58/82/90/586588290.db2.gz PAKUVDVXRPEHEM-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@H+](CCS(=O)(=O)C(C)C)[C@H]1CCOC1 ZINC000812879790 586588337 /nfs/dbraw/zinc/58/83/37/586588337.db2.gz VMKHXLPHQZULSA-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(=O)(=O)C(C)C)[C@H]1CCOC1 ZINC000812879790 586588338 /nfs/dbraw/zinc/58/83/38/586588338.db2.gz VMKHXLPHQZULSA-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCOC1=O ZINC000813293232 586598857 /nfs/dbraw/zinc/59/88/57/586598857.db2.gz GQOLAJJYYKZBHG-LLVKDONJSA-N 1 2 237.259 0.095 20 0 BCADLO C[NH+]1CCN(NC(=S)NC2CCC2)CC1 ZINC000814189749 586616199 /nfs/dbraw/zinc/61/61/99/586616199.db2.gz VXOGIYRQCJRCIJ-UHFFFAOYSA-N 1 2 228.365 0.165 20 0 BCADLO CS(=O)(=O)C[C@H]1CCC[N@H+](CCF)C1 ZINC000814643198 586626995 /nfs/dbraw/zinc/62/69/95/586626995.db2.gz OMTALMXEWMHWJC-VIFPVBQESA-N 1 2 223.313 0.713 20 0 BCADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CCF)C1 ZINC000814643198 586626996 /nfs/dbraw/zinc/62/69/96/586626996.db2.gz OMTALMXEWMHWJC-VIFPVBQESA-N 1 2 223.313 0.713 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000815011584 586663802 /nfs/dbraw/zinc/66/38/02/586663802.db2.gz RYBCDXWZVRFBRI-UHFFFAOYSA-N 1 2 232.243 0.454 20 0 BCADLO CCn1nncc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000815529570 586687133 /nfs/dbraw/zinc/68/71/33/586687133.db2.gz BPWHOSAPJBYGGU-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C(C)(C)C1 ZINC000815897264 586696208 /nfs/dbraw/zinc/69/62/08/586696208.db2.gz NQTYLABIPWFXPA-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C(C)(C)C1 ZINC000815897264 586696209 /nfs/dbraw/zinc/69/62/09/586696209.db2.gz NQTYLABIPWFXPA-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910700 586697156 /nfs/dbraw/zinc/69/71/56/586697156.db2.gz DWGATTNSLOBKBG-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910700 586697158 /nfs/dbraw/zinc/69/71/58/586697158.db2.gz DWGATTNSLOBKBG-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO O=C(Nc1c[nH]nn1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000816317155 586717152 /nfs/dbraw/zinc/71/71/52/586717152.db2.gz JUIFORMCYLBWQG-QMMMGPOBSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1c[nH]nn1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000816317155 586717153 /nfs/dbraw/zinc/71/71/53/586717153.db2.gz JUIFORMCYLBWQG-QMMMGPOBSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000816317155 586717154 /nfs/dbraw/zinc/71/71/54/586717154.db2.gz JUIFORMCYLBWQG-QMMMGPOBSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000816317155 586717155 /nfs/dbraw/zinc/71/71/55/586717155.db2.gz JUIFORMCYLBWQG-QMMMGPOBSA-N 1 2 221.264 0.370 20 0 BCADLO CCc1nocc1C[N@@H+]1CCCNC(=O)C1 ZINC000816496674 586737061 /nfs/dbraw/zinc/73/70/61/586737061.db2.gz RNGNLNSLNBLSRE-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO CCc1nocc1C[N@H+]1CCCNC(=O)C1 ZINC000816496674 586737062 /nfs/dbraw/zinc/73/70/62/586737062.db2.gz RNGNLNSLNBLSRE-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO Cn1ncc(CN2CCn3c[nH+]cc3C2)n1 ZINC000816615871 586744534 /nfs/dbraw/zinc/74/45/34/586744534.db2.gz HVBUUTXGKGQNNO-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ncccc1O ZINC000816822931 586766170 /nfs/dbraw/zinc/76/61/70/586766170.db2.gz BDOQPMAIEWPCCV-UHFFFAOYSA-N 1 2 218.216 0.692 20 0 BCADLO COC(=O)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816870802 586769105 /nfs/dbraw/zinc/76/91/05/586769105.db2.gz OGXKFVVOIPCHIU-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1cccc(O)c1 ZINC000816894882 586769500 /nfs/dbraw/zinc/76/95/00/586769500.db2.gz UNEFGBMLCVQTLP-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816937451 586771712 /nfs/dbraw/zinc/77/17/12/586771712.db2.gz DDRXGNIFQCIVJA-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO C[C@@](O)(CNC(=O)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000816936672 586772141 /nfs/dbraw/zinc/77/21/41/586772141.db2.gz OUVGKPVOJLEHQS-GFCCVEGCSA-N 1 2 249.270 0.569 20 0 BCADLO CN(CC(C)(C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816942635 586772817 /nfs/dbraw/zinc/77/28/17/586772817.db2.gz VJNAPWAHGBPATK-UHFFFAOYSA-N 1 2 211.265 0.182 20 0 BCADLO CCN(CC(C)(C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816942858 586772856 /nfs/dbraw/zinc/77/28/56/586772856.db2.gz CQELVWZMBIVGLH-UHFFFAOYSA-N 1 2 225.292 0.572 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2n[nH]nc2c1 ZINC000816943490 586773117 /nfs/dbraw/zinc/77/31/17/586773117.db2.gz ARRUYDGRBVHZOO-UHFFFAOYSA-N 1 2 242.242 0.862 20 0 BCADLO CC(C)[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816950194 586773230 /nfs/dbraw/zinc/77/32/30/586773230.db2.gz NFHWDLVLYCNEGV-MRVPVSSYSA-N 1 2 211.265 0.085 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816958014 586774436 /nfs/dbraw/zinc/77/44/36/586774436.db2.gz ZSSGSRFPAMOGRK-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO O=C(NN1CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000816955379 586774591 /nfs/dbraw/zinc/77/45/91/586774591.db2.gz AUKTXPKXMBEGHS-NSHDSACASA-N 1 2 248.330 0.963 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC2(CCC2)C1 ZINC000816957314 586774693 /nfs/dbraw/zinc/77/46/93/586774693.db2.gz LMRIABMZPZRCRD-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(NC1(CCO)CC1)c1cccc2[nH+]ccn21 ZINC000817138296 586784156 /nfs/dbraw/zinc/78/41/56/586784156.db2.gz YOGDARJPPWZDRN-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO CON(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000817963145 586852562 /nfs/dbraw/zinc/85/25/62/586852562.db2.gz ONBQZOJMVVDKIC-SECBINFHSA-N 1 2 230.214 0.984 20 0 BCADLO CC1(C(=O)NO[C@H]2CCCCO2)C[NH2+]C1 ZINC000817963500 586853761 /nfs/dbraw/zinc/85/37/61/586853761.db2.gz SMXFGJDURCZFHW-QMMMGPOBSA-N 1 2 214.265 0.170 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859908863 589070410 /nfs/dbraw/zinc/07/04/10/589070410.db2.gz QIXHEMCMRDEZDC-XPTSAGLGSA-N 1 2 223.313 0.425 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000859908863 589070413 /nfs/dbraw/zinc/07/04/13/589070413.db2.gz QIXHEMCMRDEZDC-XPTSAGLGSA-N 1 2 223.313 0.425 20 0 BCADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)[O-] ZINC000818113976 586875053 /nfs/dbraw/zinc/87/50/53/586875053.db2.gz VMLVBFOFWDNJPX-ONGXEEELSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)[O-] ZINC000818113976 586875055 /nfs/dbraw/zinc/87/50/55/586875055.db2.gz VMLVBFOFWDNJPX-ONGXEEELSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)[O-] ZINC000818113975 586875596 /nfs/dbraw/zinc/87/55/96/586875596.db2.gz VMLVBFOFWDNJPX-MWLCHTKSSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)[O-] ZINC000818113975 586875597 /nfs/dbraw/zinc/87/55/97/586875597.db2.gz VMLVBFOFWDNJPX-MWLCHTKSSA-N 1 2 226.320 0.924 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000818207855 586879656 /nfs/dbraw/zinc/87/96/56/586879656.db2.gz QCIDFEZZTHRXIP-AEJSXWLSSA-N 1 2 214.309 0.779 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000818207855 586879659 /nfs/dbraw/zinc/87/96/59/586879659.db2.gz QCIDFEZZTHRXIP-AEJSXWLSSA-N 1 2 214.309 0.779 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000818207856 586880144 /nfs/dbraw/zinc/88/01/44/586880144.db2.gz QCIDFEZZTHRXIP-GUBZILKMSA-N 1 2 214.309 0.779 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000818207856 586880145 /nfs/dbraw/zinc/88/01/45/586880145.db2.gz QCIDFEZZTHRXIP-GUBZILKMSA-N 1 2 214.309 0.779 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000818987561 586920113 /nfs/dbraw/zinc/92/01/13/586920113.db2.gz ZLVAFAYOCNCDEE-ZETCQYMHSA-N 1 2 247.320 0.463 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C(F)=C1CCC1 ZINC000818998289 586922094 /nfs/dbraw/zinc/92/20/94/586922094.db2.gz FOLIHOCIBAVAPF-UHFFFAOYSA-N 1 2 242.294 0.842 20 0 BCADLO Cc1ccc([C@H](O)C[NH2+]Cc2ncn(C)n2)cc1 ZINC000819200997 586937703 /nfs/dbraw/zinc/93/77/03/586937703.db2.gz YWRIXVBBRYDKKO-GFCCVEGCSA-N 1 2 246.314 0.947 20 0 BCADLO O=C(/C=C\[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273108 586946062 /nfs/dbraw/zinc/94/60/62/586946062.db2.gz NMGYHUAHFKRNNQ-ZBJFTSOASA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273108 586946065 /nfs/dbraw/zinc/94/60/65/586946065.db2.gz NMGYHUAHFKRNNQ-ZBJFTSOASA-N 1 2 221.260 0.761 20 0 BCADLO CC[C@H](C)CONC[C@H](O)C[NH+]1CCOCC1 ZINC000819328462 586952484 /nfs/dbraw/zinc/95/24/84/586952484.db2.gz MWRAGQJYRXDGKS-RYUDHWBXSA-N 1 2 246.351 0.247 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC2(C1)CCOC2 ZINC000819375224 586958531 /nfs/dbraw/zinc/95/85/31/586958531.db2.gz XXCBDESVORWXLZ-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO CN(C)c1cc(CS(C)(=O)=O)cc[nH+]1 ZINC000863344534 589281261 /nfs/dbraw/zinc/28/12/61/589281261.db2.gz MAXZMBQZUNEWCU-UHFFFAOYSA-N 1 2 214.290 0.692 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000820085293 587019962 /nfs/dbraw/zinc/01/99/62/587019962.db2.gz SYDNAVZUKFQBTI-NXEZZACHSA-N 1 2 214.309 0.924 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000820085293 587019964 /nfs/dbraw/zinc/01/99/64/587019964.db2.gz SYDNAVZUKFQBTI-NXEZZACHSA-N 1 2 214.309 0.924 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)CC(=O)[O-])C[NH+]1CCOCC1 ZINC000820102372 587022112 /nfs/dbraw/zinc/02/21/12/587022112.db2.gz WNEDUTBZNBCUSY-MNOVXSKESA-N 1 2 244.335 0.408 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1(Br)CC1 ZINC000820166830 587031246 /nfs/dbraw/zinc/03/12/46/587031246.db2.gz YHLAZJJVSRTGME-UHFFFAOYSA-N 1 2 244.092 0.953 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1(Br)CC1 ZINC000820166830 587031248 /nfs/dbraw/zinc/03/12/48/587031248.db2.gz YHLAZJJVSRTGME-UHFFFAOYSA-N 1 2 244.092 0.953 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820191687 587032200 /nfs/dbraw/zinc/03/22/00/587032200.db2.gz LYBVCHOBFQLHMJ-XCBNKYQSSA-N 1 2 211.265 0.748 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C)c1[nH]cc[nH+]1 ZINC000820191598 587033475 /nfs/dbraw/zinc/03/34/75/587033475.db2.gz JDPQFTDDCKOTQB-IWSPIJDZSA-N 1 2 239.275 0.391 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000820238013 587037676 /nfs/dbraw/zinc/03/76/76/587037676.db2.gz GWEZKJDJQIITFO-UWVGGRQHSA-N 1 2 214.309 0.781 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000820238013 587037678 /nfs/dbraw/zinc/03/76/78/587037678.db2.gz GWEZKJDJQIITFO-UWVGGRQHSA-N 1 2 214.309 0.781 20 0 BCADLO CCN(CC(C)=O)C(=O)CCc1c[nH+]cn1C ZINC000820437108 587049119 /nfs/dbraw/zinc/04/91/19/587049119.db2.gz OBCDJFAFFMWAHU-UHFFFAOYSA-N 1 2 237.303 0.790 20 0 BCADLO CCONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000820523139 587052552 /nfs/dbraw/zinc/05/25/52/587052552.db2.gz FQWCAQHBQBMRPT-HTQZYQBOSA-N 1 2 209.249 0.591 20 0 BCADLO COC[C@@H]1CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820532176 587053098 /nfs/dbraw/zinc/05/30/98/587053098.db2.gz SNJBAWUVEMURAT-BYCRGOAPSA-N 1 2 235.287 0.681 20 0 BCADLO COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820730691 587069316 /nfs/dbraw/zinc/06/93/16/587069316.db2.gz XSNUZNBRXOPJJS-MNOVXSKESA-N 1 2 244.335 0.550 20 0 BCADLO COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820730691 587069317 /nfs/dbraw/zinc/06/93/17/587069317.db2.gz XSNUZNBRXOPJJS-MNOVXSKESA-N 1 2 244.335 0.550 20 0 BCADLO COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820730690 587069362 /nfs/dbraw/zinc/06/93/62/587069362.db2.gz XSNUZNBRXOPJJS-GHMZBOCLSA-N 1 2 244.335 0.550 20 0 BCADLO COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820730690 587069363 /nfs/dbraw/zinc/06/93/63/587069363.db2.gz XSNUZNBRXOPJJS-GHMZBOCLSA-N 1 2 244.335 0.550 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000820840805 587076643 /nfs/dbraw/zinc/07/66/43/587076643.db2.gz CFHHPRSVPYVCKW-QMMMGPOBSA-N 1 2 241.291 0.812 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC3(C2)CCOC3)c1 ZINC000820840409 587076731 /nfs/dbraw/zinc/07/67/31/587076731.db2.gz LRWZITURGCUROG-NSCUHMNNSA-N 1 2 247.298 0.682 20 0 BCADLO COC1(C(N)=[NH+]OCCCO)CCCC1 ZINC000863477984 589291363 /nfs/dbraw/zinc/29/13/63/589291363.db2.gz GAWODLLZQTYQDS-UHFFFAOYSA-N 1 2 216.281 0.826 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820948292 587083883 /nfs/dbraw/zinc/08/38/83/587083883.db2.gz RGACEQGIRUMICS-IWSPIJDZSA-N 1 2 221.260 0.479 20 0 BCADLO O=C(COC(F)(F)F)N[C@@H]1CCn2cc[nH+]c21 ZINC000820947991 587084114 /nfs/dbraw/zinc/08/41/14/587084114.db2.gz LRUGYGHMUIVGRZ-ZCFIWIBFSA-N 1 2 249.192 0.981 20 0 BCADLO C[NH+](C)CCONC(=O)[C@@H]1CCc2cccnc21 ZINC000821006648 587087726 /nfs/dbraw/zinc/08/77/26/587087726.db2.gz UMMYTVHQBOGCFQ-LLVKDONJSA-N 1 2 249.314 0.721 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167172 589085180 /nfs/dbraw/zinc/08/51/80/589085180.db2.gz BBUNYEZBWNVEOF-BWZBUEFSSA-N 1 2 239.300 0.704 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167172 589085181 /nfs/dbraw/zinc/08/51/81/589085181.db2.gz BBUNYEZBWNVEOF-BWZBUEFSSA-N 1 2 239.300 0.704 20 0 BCADLO OCC[C@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000821207443 587101733 /nfs/dbraw/zinc/10/17/33/587101733.db2.gz RIKTUDWKSTYQDM-LURJTMIESA-N 1 2 223.198 0.813 20 0 BCADLO CC(C)ONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821213297 587101935 /nfs/dbraw/zinc/10/19/35/587101935.db2.gz KXLSIKMGLRTPCA-PLNGDYQASA-N 1 2 209.249 0.890 20 0 BCADLO CCC[C@H](O)C(=O)NCc1[nH+]ccn1CC ZINC000821240065 587103151 /nfs/dbraw/zinc/10/31/51/587103151.db2.gz YYXLGANUSFALLT-VIFPVBQESA-N 1 2 225.292 0.680 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(=O)cc[nH]1 ZINC000821253307 587103673 /nfs/dbraw/zinc/10/36/73/587103673.db2.gz RNCPGXXHIVOUKC-UHFFFAOYSA-N 1 2 246.270 0.521 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCCN(C=O)CC1 ZINC000821288798 587104174 /nfs/dbraw/zinc/10/41/74/587104174.db2.gz XRWASEYZQYFBFC-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CCCN(C=O)CC1 ZINC000821288798 587104175 /nfs/dbraw/zinc/10/41/75/587104175.db2.gz XRWASEYZQYFBFC-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO O=C1CC[C@@H](C[NH+]2CCN(CC(F)F)CC2)O1 ZINC000821362630 587112144 /nfs/dbraw/zinc/11/21/44/587112144.db2.gz NDFQKFVSXYPKSJ-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CCO ZINC000821366796 587112845 /nfs/dbraw/zinc/11/28/45/587112845.db2.gz QQCUJTCRFJCGCQ-JTQLQIEISA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385484 587115053 /nfs/dbraw/zinc/11/50/53/587115053.db2.gz MREDTNRTLWOFPX-KWQFWETISA-N 1 2 223.276 0.085 20 0 BCADLO O=C(COC(F)(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821386255 587115592 /nfs/dbraw/zinc/11/55/92/587115592.db2.gz RTTPEOCIOLZEBJ-ZCFIWIBFSA-N 1 2 249.192 0.460 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC000821408285 587115639 /nfs/dbraw/zinc/11/56/39/587115639.db2.gz DVOGDDHMOUAYCH-RKDXNWHRSA-N 1 2 210.281 0.804 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC000821408285 587115641 /nfs/dbraw/zinc/11/56/41/587115641.db2.gz DVOGDDHMOUAYCH-RKDXNWHRSA-N 1 2 210.281 0.804 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H]2CCC(=O)O2)CCCC1 ZINC000821396358 587116692 /nfs/dbraw/zinc/11/66/92/587116692.db2.gz LBZIGDIJOXLGSF-VIFPVBQESA-N 1 2 241.287 0.767 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2ccn(C)n2)[nH+]1 ZINC000821441117 587120291 /nfs/dbraw/zinc/12/02/91/587120291.db2.gz AXPBJKBVIRTUAA-UHFFFAOYSA-N 1 2 247.302 0.565 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000822503293 587172252 /nfs/dbraw/zinc/17/22/52/587172252.db2.gz FJOSXCFKYCNTMO-NSHDSACASA-N 1 2 247.306 0.244 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000822503293 587172253 /nfs/dbraw/zinc/17/22/53/587172253.db2.gz FJOSXCFKYCNTMO-NSHDSACASA-N 1 2 247.306 0.244 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC000822640284 587178605 /nfs/dbraw/zinc/17/86/05/587178605.db2.gz RHLXYRLRFQPJJS-QMMMGPOBSA-N 1 2 248.242 0.695 20 0 BCADLO CC[NH+](CC)Cc1csc(NC(=O)CO)n1 ZINC000822701666 587181919 /nfs/dbraw/zinc/18/19/19/587181919.db2.gz DNCQZXDCISBEEC-UHFFFAOYSA-N 1 2 243.332 0.916 20 0 BCADLO C[C@@H](O)CC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000822774273 587185408 /nfs/dbraw/zinc/18/54/08/587185408.db2.gz CRESGXMKGPDHKY-SECBINFHSA-N 1 2 235.349 0.266 20 0 BCADLO C[C@@H](O)CC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000822774273 587185410 /nfs/dbraw/zinc/18/54/10/587185410.db2.gz CRESGXMKGPDHKY-SECBINFHSA-N 1 2 235.349 0.266 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000822918912 587193012 /nfs/dbraw/zinc/19/30/12/587193012.db2.gz FZIATPFXSIMMMO-SSDOTTSWSA-N 1 2 247.258 0.845 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000822918912 587193014 /nfs/dbraw/zinc/19/30/14/587193014.db2.gz FZIATPFXSIMMMO-SSDOTTSWSA-N 1 2 247.258 0.845 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823067720 587200705 /nfs/dbraw/zinc/20/07/05/587200705.db2.gz NOFQANXMFQNIHK-FXPVBKGRSA-N 1 2 249.314 0.885 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823067720 587200706 /nfs/dbraw/zinc/20/07/06/587200706.db2.gz NOFQANXMFQNIHK-FXPVBKGRSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H](NC(=O)CN1CCOC1=O)c1[nH]cc[nH+]1 ZINC000823085728 587202039 /nfs/dbraw/zinc/20/20/39/587202039.db2.gz UWRPSRCYHFPLBA-SSDOTTSWSA-N 1 2 238.247 0.039 20 0 BCADLO CO[C@@H](C[NH2+][C@]1(C)CCOC1=O)C1CC1 ZINC000823157288 587205921 /nfs/dbraw/zinc/20/59/21/587205921.db2.gz PLJOBEDIYJFSQL-GXSJLCMTSA-N 1 2 213.277 0.707 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@H]1C[C@@H](O)C1 ZINC000823237463 587210609 /nfs/dbraw/zinc/21/06/09/587210609.db2.gz WJSKWORCWQQHHZ-HRDYMLBCSA-N 1 2 221.260 0.215 20 0 BCADLO CC1=NO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000823335532 587217480 /nfs/dbraw/zinc/21/74/80/587217480.db2.gz YSSRFYAMQGALML-OPRDCNLKSA-N 1 2 248.286 0.794 20 0 BCADLO CC1=NO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000823335532 587217483 /nfs/dbraw/zinc/21/74/83/587217483.db2.gz YSSRFYAMQGALML-OPRDCNLKSA-N 1 2 248.286 0.794 20 0 BCADLO CCn1nc(C)c(C[N@H+](CCO)C(C)C)n1 ZINC000823386512 587219007 /nfs/dbraw/zinc/21/90/07/587219007.db2.gz HSDAZLMENHBENO-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CCO)C(C)C)n1 ZINC000823386512 587219009 /nfs/dbraw/zinc/21/90/09/587219009.db2.gz HSDAZLMENHBENO-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000823438478 587221519 /nfs/dbraw/zinc/22/15/19/587221519.db2.gz VNIKNDUJOPBBBT-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000823438478 587221517 /nfs/dbraw/zinc/22/15/17/587221517.db2.gz VNIKNDUJOPBBBT-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000823458779 587223354 /nfs/dbraw/zinc/22/33/54/587223354.db2.gz GKVZFUJYLPECLT-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000823458779 587223356 /nfs/dbraw/zinc/22/33/56/587223356.db2.gz GKVZFUJYLPECLT-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000823492006 587226568 /nfs/dbraw/zinc/22/65/68/587226568.db2.gz FKFORVYXYCJWER-SNVBAGLBSA-N 1 2 240.303 0.451 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000823492006 587226570 /nfs/dbraw/zinc/22/65/70/587226570.db2.gz FKFORVYXYCJWER-SNVBAGLBSA-N 1 2 240.303 0.451 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823627763 587233418 /nfs/dbraw/zinc/23/34/18/587233418.db2.gz POCHFWYFGCQJAX-JMJZKYOTSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823633681 587233852 /nfs/dbraw/zinc/23/38/52/587233852.db2.gz BQQCLTNNUYBTKW-CABZTGNLSA-N 1 2 237.303 0.475 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H]2O)[nH+]1 ZINC000823794361 587240427 /nfs/dbraw/zinc/24/04/27/587240427.db2.gz PHDFOMOZQRHXGI-RKDXNWHRSA-N 1 2 223.276 0.154 20 0 BCADLO CCn1nc(C)c(CNCC[NH+]2CCC2)n1 ZINC000824023824 587248947 /nfs/dbraw/zinc/24/89/47/587248947.db2.gz YKTPQGRULQQMQX-UHFFFAOYSA-N 1 2 223.324 0.402 20 0 BCADLO O=C(NN1CCOCC1)c1cccc2[nH+]ccn21 ZINC000824080304 587254049 /nfs/dbraw/zinc/25/40/49/587254049.db2.gz BKSNKEBSXRFCDN-UHFFFAOYSA-N 1 2 246.270 0.311 20 0 BCADLO COCC(COC)[NH+]1CCN(C(=O)OC)CC1 ZINC000840486162 587264933 /nfs/dbraw/zinc/26/49/33/587264933.db2.gz GYNBYWPWKKSRMJ-UHFFFAOYSA-N 1 2 246.307 0.032 20 0 BCADLO CCN(Cc1cnn(C)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824295098 587265147 /nfs/dbraw/zinc/26/51/47/587265147.db2.gz FUPTZHYAVPVWFO-UHFFFAOYSA-N 1 2 247.302 0.734 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1cnn2c1CCC2 ZINC000824708857 587283999 /nfs/dbraw/zinc/28/39/99/587283999.db2.gz HCXQJWNSZZGGDW-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000824708857 587284000 /nfs/dbraw/zinc/28/40/00/587284000.db2.gz HCXQJWNSZZGGDW-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H](CO)C2CCC2)c1 ZINC000824753770 587286122 /nfs/dbraw/zinc/28/61/22/587286122.db2.gz OELNTQQYUWLKGC-FYJFLYSWSA-N 1 2 249.314 0.711 20 0 BCADLO C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824802416 587287663 /nfs/dbraw/zinc/28/76/63/587287663.db2.gz KYTWCKNYADGLQX-AEJSXWLSSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824802416 587287664 /nfs/dbraw/zinc/28/76/64/587287664.db2.gz KYTWCKNYADGLQX-AEJSXWLSSA-N 1 2 229.324 0.572 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC/C=C/CO)c1 ZINC000824942017 587293857 /nfs/dbraw/zinc/29/38/57/587293857.db2.gz UAONGIDXOLFXKY-MQQKCMAXSA-N 1 2 221.260 0.098 20 0 BCADLO C[C@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)[NH+](C)C ZINC000824973749 587295971 /nfs/dbraw/zinc/29/59/71/587295971.db2.gz NMKIUCXZTKVWBX-BDAKNGLRSA-N 1 2 215.297 0.278 20 0 BCADLO CO[C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000825395312 587318342 /nfs/dbraw/zinc/31/83/42/587318342.db2.gz ILMRWIBQTIADMD-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825512329 587322517 /nfs/dbraw/zinc/32/25/17/587322517.db2.gz BNBQHSCUSYBCQM-SCZZXKLOSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@]1(C)C=CCC1 ZINC000825526209 587323303 /nfs/dbraw/zinc/32/33/03/587323303.db2.gz FDSDYLAZEWTTRH-MFKMUULPSA-N 1 2 249.314 0.926 20 0 BCADLO CC(C)(CNC(=O)[C@H]1CCOC1)n1cc[nH+]c1 ZINC000825532100 587323737 /nfs/dbraw/zinc/32/37/37/587323737.db2.gz RWENDZSREGIDON-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000825543582 587324318 /nfs/dbraw/zinc/32/43/18/587324318.db2.gz YWOQTBZXYVKDMF-IUCAKERBSA-N 1 2 240.307 0.793 20 0 BCADLO CCOC(=O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825666435 587330481 /nfs/dbraw/zinc/33/04/81/587330481.db2.gz JPIVGZFMSYJRQM-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000825691780 587332515 /nfs/dbraw/zinc/33/25/15/587332515.db2.gz BJFWPAPCYCLFJN-BZNPZCIMSA-N 1 2 229.276 0.335 20 0 BCADLO C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)[O-])CC[N@@H+]1C ZINC000825790139 587339214 /nfs/dbraw/zinc/33/92/14/587339214.db2.gz TXXZDYNFZZWHMY-ZJUUUORDSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)[O-])CC[N@H+]1C ZINC000825790139 587339216 /nfs/dbraw/zinc/33/92/16/587339216.db2.gz TXXZDYNFZZWHMY-ZJUUUORDSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@@H]([N@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790139 587339218 /nfs/dbraw/zinc/33/92/18/587339218.db2.gz TXXZDYNFZZWHMY-ZJUUUORDSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@@H]([N@@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790139 587339221 /nfs/dbraw/zinc/33/92/21/587339221.db2.gz TXXZDYNFZZWHMY-ZJUUUORDSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000825931814 587345919 /nfs/dbraw/zinc/34/59/19/587345919.db2.gz NIPFFKQKIGLKMW-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000825931814 587345921 /nfs/dbraw/zinc/34/59/21/587345921.db2.gz NIPFFKQKIGLKMW-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951203 587346838 /nfs/dbraw/zinc/34/68/38/587346838.db2.gz TYFMJRJFKWDQEB-WDEREUQCSA-N 1 2 241.335 0.670 20 0 BCADLO C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951203 587346839 /nfs/dbraw/zinc/34/68/39/587346839.db2.gz TYFMJRJFKWDQEB-WDEREUQCSA-N 1 2 241.335 0.670 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000826012950 587348424 /nfs/dbraw/zinc/34/84/24/587348424.db2.gz RNNUPCYTSABQAV-QMMMGPOBSA-N 1 2 222.248 0.201 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047518 587349494 /nfs/dbraw/zinc/34/94/94/587349494.db2.gz DTOFJVYKDKORRD-GXSJLCMTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047518 587349495 /nfs/dbraw/zinc/34/94/95/587349495.db2.gz DTOFJVYKDKORRD-GXSJLCMTSA-N 1 2 241.335 0.669 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)CCO)[nH+]1 ZINC000826275261 587351588 /nfs/dbraw/zinc/35/15/88/587351588.db2.gz UUDVCYTYKHTKTL-MRVPVSSYSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(N(C)[C@@H](C)CO)c1-c1nn[nH]n1 ZINC000826309580 587352402 /nfs/dbraw/zinc/35/24/02/587352402.db2.gz UWTFHWLGKUGMMM-QMMMGPOBSA-N 1 2 248.290 0.387 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000826738195 587360810 /nfs/dbraw/zinc/36/08/10/587360810.db2.gz PJEJRXOAIHOYMC-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000826767080 587361702 /nfs/dbraw/zinc/36/17/02/587361702.db2.gz ZSIHTMXIIOZYMP-VIFPVBQESA-N 1 2 233.271 0.419 20 0 BCADLO Cc1cc(N2CC[C@@H]3COC(=O)N[C@H]3C2)nc[nH+]1 ZINC000826835550 587363687 /nfs/dbraw/zinc/36/36/87/587363687.db2.gz RONYHMKFNOXBOD-ZJUUUORDSA-N 1 2 248.286 0.720 20 0 BCADLO CCOC(=O)[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000827113408 587370270 /nfs/dbraw/zinc/37/02/70/587370270.db2.gz BSHALGCNKKSDSQ-QMMMGPOBSA-N 1 2 239.275 0.362 20 0 BCADLO CCN(CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827130392 587370729 /nfs/dbraw/zinc/37/07/29/587370729.db2.gz VPLVTFIFFNOUMF-MNOVXSKESA-N 1 2 243.351 0.916 20 0 BCADLO CCN(CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827130392 587370730 /nfs/dbraw/zinc/37/07/30/587370730.db2.gz VPLVTFIFFNOUMF-MNOVXSKESA-N 1 2 243.351 0.916 20 0 BCADLO CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198536 587372543 /nfs/dbraw/zinc/37/25/43/587372543.db2.gz JAQXZDSVCWMAMZ-ZJUUUORDSA-N 1 2 229.324 0.574 20 0 BCADLO CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000827198536 587372544 /nfs/dbraw/zinc/37/25/44/587372544.db2.gz JAQXZDSVCWMAMZ-ZJUUUORDSA-N 1 2 229.324 0.574 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000827296035 587375908 /nfs/dbraw/zinc/37/59/08/587375908.db2.gz BDAZQGUEDCTPCC-SSDOTTSWSA-N 1 2 208.221 0.191 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@@H]2CCC=CO2)nn1 ZINC000827304901 587376442 /nfs/dbraw/zinc/37/64/42/587376442.db2.gz JGPLRPASHJLEBE-NSHDSACASA-N 1 2 222.292 0.940 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@@H]2CCC=CO2)nn1 ZINC000827304901 587376443 /nfs/dbraw/zinc/37/64/43/587376443.db2.gz JGPLRPASHJLEBE-NSHDSACASA-N 1 2 222.292 0.940 20 0 BCADLO CCOC(=O)C[N@H+](CC[S@@](C)=O)CC(C)C ZINC000827511615 587384946 /nfs/dbraw/zinc/38/49/46/587384946.db2.gz VUJZBYCUJKKFIK-MRXNPFEDSA-N 1 2 249.376 0.886 20 0 BCADLO CCOC(=O)C[N@@H+](CC[S@@](C)=O)CC(C)C ZINC000827511615 587384948 /nfs/dbraw/zinc/38/49/48/587384948.db2.gz VUJZBYCUJKKFIK-MRXNPFEDSA-N 1 2 249.376 0.886 20 0 BCADLO C[N@H+](CC[S@](C)=O)CC(=O)NC(C)(C)C ZINC000827726169 587399619 /nfs/dbraw/zinc/39/96/19/587399619.db2.gz TUERMKWKRLVXRH-HNNXBMFYSA-N 1 2 234.365 0.211 20 0 BCADLO C[N@@H+](CC[S@](C)=O)CC(=O)NC(C)(C)C ZINC000827726169 587399621 /nfs/dbraw/zinc/39/96/21/587399621.db2.gz TUERMKWKRLVXRH-HNNXBMFYSA-N 1 2 234.365 0.211 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCCN(C=O)CC1 ZINC000827871505 587406280 /nfs/dbraw/zinc/40/62/80/587406280.db2.gz CMWMBQQQQBKSCV-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1ccnc1C[N@H+]1CCCN(C=O)CC1 ZINC000827871505 587406282 /nfs/dbraw/zinc/40/62/82/587406282.db2.gz CMWMBQQQQBKSCV-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1cc[nH+]c1CN1CCCN(C=O)CC1 ZINC000827871505 587406283 /nfs/dbraw/zinc/40/62/83/587406283.db2.gz CMWMBQQQQBKSCV-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[S@@](C)=O ZINC000827870358 587406436 /nfs/dbraw/zinc/40/64/36/587406436.db2.gz GGCJGXZOTMTYHS-CQSZACIVSA-N 1 2 221.322 0.296 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000827925343 587410360 /nfs/dbraw/zinc/41/03/60/587410360.db2.gz UJDQKIMCVFSIRQ-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000827925343 587410362 /nfs/dbraw/zinc/41/03/62/587410362.db2.gz UJDQKIMCVFSIRQ-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000827990443 587415554 /nfs/dbraw/zinc/41/55/54/587415554.db2.gz KKNVCONYKOYLJT-GDLVEWKHSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000827990443 587415555 /nfs/dbraw/zinc/41/55/55/587415555.db2.gz KKNVCONYKOYLJT-GDLVEWKHSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@@](=O)CC[N@H+](CCO)Cc1cccnc1 ZINC000828011538 587416486 /nfs/dbraw/zinc/41/64/86/587416486.db2.gz KZKKFKCUIIHNQJ-MRXNPFEDSA-N 1 2 242.344 0.254 20 0 BCADLO C[S@@](=O)CC[N@@H+](CCO)Cc1cccnc1 ZINC000828011538 587416487 /nfs/dbraw/zinc/41/64/87/587416487.db2.gz KZKKFKCUIIHNQJ-MRXNPFEDSA-N 1 2 242.344 0.254 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[S@@](C)=O ZINC000828127180 587420084 /nfs/dbraw/zinc/42/00/84/587420084.db2.gz FVZCAUICSSRXRM-GPCCPHFNSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[S@@](C)=O ZINC000828127180 587420085 /nfs/dbraw/zinc/42/00/85/587420085.db2.gz FVZCAUICSSRXRM-GPCCPHFNSA-N 1 2 218.366 0.389 20 0 BCADLO CCCONC(=O)NCCn1cc[nH+]c1 ZINC000828231820 587426398 /nfs/dbraw/zinc/42/63/98/587426398.db2.gz BORKYWOJLRHUIX-UHFFFAOYSA-N 1 2 212.253 0.524 20 0 BCADLO CCCONC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000828312381 587433965 /nfs/dbraw/zinc/43/39/65/587433965.db2.gz ATAHDDOQKPKLNI-SECBINFHSA-N 1 2 238.291 0.839 20 0 BCADLO C[C@@H](CNC(=O)Cc1ncc[nH]1)Cn1cc[nH+]c1 ZINC000828402813 587440214 /nfs/dbraw/zinc/44/02/14/587440214.db2.gz GDNOOYGOZLPWDI-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000828482347 587445316 /nfs/dbraw/zinc/44/53/16/587445316.db2.gz XEDYWLGPVDWSFP-NSHDSACASA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000828482347 587445317 /nfs/dbraw/zinc/44/53/17/587445317.db2.gz XEDYWLGPVDWSFP-NSHDSACASA-N 1 2 241.335 0.813 20 0 BCADLO C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000828482575 587445321 /nfs/dbraw/zinc/44/53/21/587445321.db2.gz ZUCCPMOTMDQFSK-ZJUUUORDSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000828482575 587445322 /nfs/dbraw/zinc/44/53/22/587445322.db2.gz ZUCCPMOTMDQFSK-ZJUUUORDSA-N 1 2 227.308 0.423 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000828525110 587447620 /nfs/dbraw/zinc/44/76/20/587447620.db2.gz KIDRLUNNUMIVAS-MMPTUQATSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000828525110 587447621 /nfs/dbraw/zinc/44/76/21/587447621.db2.gz KIDRLUNNUMIVAS-MMPTUQATSA-N 1 2 247.360 0.245 20 0 BCADLO COC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000828660147 587455988 /nfs/dbraw/zinc/45/59/88/587455988.db2.gz JNHDIFQEWPSFCV-SECBINFHSA-N 1 2 225.292 0.739 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000828833823 587465507 /nfs/dbraw/zinc/46/55/07/587465507.db2.gz KVVKGZNNHOVKLW-GUBZILKMSA-N 1 2 217.309 0.935 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000828846814 587466618 /nfs/dbraw/zinc/46/66/18/587466618.db2.gz UEFNRXRIOIBROH-VHSXEESVSA-N 1 2 217.309 0.792 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccnn1C ZINC000828946960 587474640 /nfs/dbraw/zinc/47/46/40/587474640.db2.gz KYESOTCFVQWFKK-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO CCCCOC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000829045201 587480907 /nfs/dbraw/zinc/48/09/07/587480907.db2.gz IMMOTLNWPIHRST-UHFFFAOYSA-N 1 2 228.292 0.137 20 0 BCADLO Cc1nn(C)c(C)c1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829189852 587487321 /nfs/dbraw/zinc/48/73/21/587487321.db2.gz LQKMIYXHLLXXQB-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@@H+](CCF)C2)O1 ZINC000829438937 587497035 /nfs/dbraw/zinc/49/70/35/587497035.db2.gz UCDMEMNGBCOBTP-ZETCQYMHSA-N 1 2 215.228 0.924 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@H+](CCF)C2)O1 ZINC000829438937 587497037 /nfs/dbraw/zinc/49/70/37/587497037.db2.gz UCDMEMNGBCOBTP-ZETCQYMHSA-N 1 2 215.228 0.924 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCF)C2)o1 ZINC000829438937 587497038 /nfs/dbraw/zinc/49/70/38/587497038.db2.gz UCDMEMNGBCOBTP-ZETCQYMHSA-N 1 2 215.228 0.924 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCF)C2)o1 ZINC000829438937 587497040 /nfs/dbraw/zinc/49/70/40/587497040.db2.gz UCDMEMNGBCOBTP-ZETCQYMHSA-N 1 2 215.228 0.924 20 0 BCADLO CC[C@H](C)[N@H+](CC[S@@](C)=O)CC(=O)OC ZINC000829444088 587497780 /nfs/dbraw/zinc/49/77/80/587497780.db2.gz UXMFZUKKFIUNAO-BJOHPYRUSA-N 1 2 235.349 0.638 20 0 BCADLO CC[C@H](C)[N@@H+](CC[S@@](C)=O)CC(=O)OC ZINC000829444088 587497781 /nfs/dbraw/zinc/49/77/81/587497781.db2.gz UXMFZUKKFIUNAO-BJOHPYRUSA-N 1 2 235.349 0.638 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3ccc[nH]3)cc2C1 ZINC000829462502 587499035 /nfs/dbraw/zinc/49/90/35/587499035.db2.gz HDCYAKPDLZYFPT-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3ccc[nH]3)cc2C1 ZINC000829462502 587499036 /nfs/dbraw/zinc/49/90/36/587499036.db2.gz HDCYAKPDLZYFPT-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C3CC3)cc2C1 ZINC000829472350 587499364 /nfs/dbraw/zinc/49/93/64/587499364.db2.gz ORBUAEINSXWFFQ-UHFFFAOYSA-N 1 2 220.276 0.677 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C3CC3)cc2C1 ZINC000829472350 587499365 /nfs/dbraw/zinc/49/93/65/587499365.db2.gz ORBUAEINSXWFFQ-UHFFFAOYSA-N 1 2 220.276 0.677 20 0 BCADLO COCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000829683356 587509518 /nfs/dbraw/zinc/50/95/18/587509518.db2.gz YFVNEKKQRLUWSB-RKDXNWHRSA-N 1 2 239.275 0.218 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829721449 587511726 /nfs/dbraw/zinc/51/17/26/587511726.db2.gz REMNXDXQTCGOQT-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000829907629 587527560 /nfs/dbraw/zinc/52/75/60/587527560.db2.gz GEEIAGYLNFWECT-SECBINFHSA-N 1 2 223.276 0.182 20 0 BCADLO COC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000830057082 587534020 /nfs/dbraw/zinc/53/40/20/587534020.db2.gz FPSSLBMQNWQBPV-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000830212032 587540975 /nfs/dbraw/zinc/54/09/75/587540975.db2.gz JUVZOCWDOIGVOJ-SNVBAGLBSA-N 1 2 218.272 0.830 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000830212032 587540976 /nfs/dbraw/zinc/54/09/76/587540976.db2.gz JUVZOCWDOIGVOJ-SNVBAGLBSA-N 1 2 218.272 0.830 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000830623462 587560981 /nfs/dbraw/zinc/56/09/81/587560981.db2.gz RVDJVXUCFLDXNS-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000830623462 587560982 /nfs/dbraw/zinc/56/09/82/587560982.db2.gz RVDJVXUCFLDXNS-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000830623459 587561077 /nfs/dbraw/zinc/56/10/77/587561077.db2.gz RRMPYOSPZAFAAG-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000830623459 587561079 /nfs/dbraw/zinc/56/10/79/587561079.db2.gz RRMPYOSPZAFAAG-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000830661943 587562811 /nfs/dbraw/zinc/56/28/11/587562811.db2.gz GYNQHNTWGSGOTD-KCJUWKMLSA-N 1 2 248.286 0.548 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000830661943 587562812 /nfs/dbraw/zinc/56/28/12/587562812.db2.gz GYNQHNTWGSGOTD-KCJUWKMLSA-N 1 2 248.286 0.548 20 0 BCADLO CC(C)(CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830656122 587563053 /nfs/dbraw/zinc/56/30/53/587563053.db2.gz ATDZCPXSOJDWTH-UHFFFAOYSA-N 1 2 211.265 0.087 20 0 BCADLO C[C@H]1COCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830713606 587564917 /nfs/dbraw/zinc/56/49/17/587564917.db2.gz XAGZSYJZVHJKJW-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830735151 587565767 /nfs/dbraw/zinc/56/57/67/587565767.db2.gz SFNKOKYXOGSVNZ-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830735151 587565769 /nfs/dbraw/zinc/56/57/69/587565769.db2.gz SFNKOKYXOGSVNZ-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO C[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830928091 587578063 /nfs/dbraw/zinc/57/80/63/587578063.db2.gz GYRXZMIEZZIDEE-VIFPVBQESA-N 1 2 223.276 0.507 20 0 BCADLO C[N@H+]1CC[C@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830928091 587578064 /nfs/dbraw/zinc/57/80/64/587578064.db2.gz GYRXZMIEZZIDEE-VIFPVBQESA-N 1 2 223.276 0.507 20 0 BCADLO CCN(CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000831219969 587592583 /nfs/dbraw/zinc/59/25/83/587592583.db2.gz BNBCHXNZNBGUAP-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC000831305811 587597228 /nfs/dbraw/zinc/59/72/28/587597228.db2.gz ZSQYAHKXUFUFHT-ZJUUUORDSA-N 1 2 239.319 0.628 20 0 BCADLO C[C@H](CO)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831306966 587597427 /nfs/dbraw/zinc/59/74/27/587597427.db2.gz SAEAUTOTCCXDQM-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cc1[nH]c[nH+]c1C ZINC000831311404 587597741 /nfs/dbraw/zinc/59/77/41/587597741.db2.gz OCJMYIKTYCLUIP-SCZZXKLOSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cc1[nH+]c[nH]c1C ZINC000831311404 587597742 /nfs/dbraw/zinc/59/77/42/587597742.db2.gz OCJMYIKTYCLUIP-SCZZXKLOSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@@]1(C)COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831614033 587624009 /nfs/dbraw/zinc/62/40/09/587624009.db2.gz VGXJGJGEPVYSDB-LBPRGKRZSA-N 1 2 237.303 0.980 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]CC[S@](C)=O)C(C)C ZINC000831642409 587625517 /nfs/dbraw/zinc/62/55/17/587625517.db2.gz ALLJQOJHLFDEFG-QFYYESIMSA-N 1 2 249.376 0.931 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]CC[S@@](C)=O)C(C)C ZINC000831642408 587625843 /nfs/dbraw/zinc/62/58/43/587625843.db2.gz ALLJQOJHLFDEFG-MGPLVRAMSA-N 1 2 249.376 0.931 20 0 BCADLO CC(C)(CCCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831652119 587626051 /nfs/dbraw/zinc/62/60/51/587626051.db2.gz XFNJBNNAAAXMEL-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H]1CCOCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831697675 587628232 /nfs/dbraw/zinc/62/82/32/587628232.db2.gz OCRKAQKPTIGPAV-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(F)(F)C1 ZINC000831743731 587629941 /nfs/dbraw/zinc/62/99/41/587629941.db2.gz AIBSRSXFUHNWED-UHFFFAOYSA-N 1 2 215.203 0.820 20 0 BCADLO CCCCOC(=O)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000831758699 587630136 /nfs/dbraw/zinc/63/01/36/587630136.db2.gz BPYCFEVYQUHEPS-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCCOC(=O)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000831758699 587630137 /nfs/dbraw/zinc/63/01/37/587630137.db2.gz BPYCFEVYQUHEPS-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000831763408 587630990 /nfs/dbraw/zinc/63/09/90/587630990.db2.gz MNKFZBRDLGJEID-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000831763408 587630993 /nfs/dbraw/zinc/63/09/93/587630993.db2.gz MNKFZBRDLGJEID-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO CC(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000831806441 587632824 /nfs/dbraw/zinc/63/28/24/587632824.db2.gz JSEAWCDYZKRYPK-SNVBAGLBSA-N 1 2 237.303 0.836 20 0 BCADLO O=C([O-])N1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000831958418 587639017 /nfs/dbraw/zinc/63/90/17/587639017.db2.gz FWALDOOULOQTTK-UHFFFAOYSA-N 1 2 241.335 0.814 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001960 587641998 /nfs/dbraw/zinc/64/19/98/587641998.db2.gz YOBQVHWXJLWCHY-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001960 587641999 /nfs/dbraw/zinc/64/19/99/587641999.db2.gz YOBQVHWXJLWCHY-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001961 587642076 /nfs/dbraw/zinc/64/20/76/587642076.db2.gz YOBQVHWXJLWCHY-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001961 587642077 /nfs/dbraw/zinc/64/20/77/587642077.db2.gz YOBQVHWXJLWCHY-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832039897 587643667 /nfs/dbraw/zinc/64/36/67/587643667.db2.gz UIILLHLKZQECDZ-GZMMTYOYSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1OCC[C@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832039898 587643742 /nfs/dbraw/zinc/64/37/42/587643742.db2.gz UIILLHLKZQECDZ-KCJUWKMLSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1(CO)CCCC1 ZINC000832343141 587654968 /nfs/dbraw/zinc/65/49/68/587654968.db2.gz WQVHCBBLLJIWKG-UHFFFAOYSA-N 1 2 237.303 0.621 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000832517215 587664418 /nfs/dbraw/zinc/66/44/18/587664418.db2.gz FOCQYWXYVDCSNQ-NXEZZACHSA-N 1 2 248.286 0.479 20 0 BCADLO CCC[C@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000832652386 587673668 /nfs/dbraw/zinc/67/36/68/587673668.db2.gz ZMFUFFLTOPCPNL-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO CC[C@]1(CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000832745132 587682475 /nfs/dbraw/zinc/68/24/75/587682475.db2.gz JQPWMLTZFIWGPR-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO COC[C@](C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000833722156 587729235 /nfs/dbraw/zinc/72/92/35/587729235.db2.gz LQEGUJXLINJUQE-LBPRGKRZSA-N 1 2 244.335 0.552 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000867105377 587745497 /nfs/dbraw/zinc/74/54/97/587745497.db2.gz NFMTWEUUJCUBCC-MWLCHTKSSA-N 1 2 235.287 0.702 20 0 BCADLO CC[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000834356158 587752994 /nfs/dbraw/zinc/75/29/94/587752994.db2.gz UBUGMRQYMIBPBZ-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)c2ccc(F)cn2)C1 ZINC000834379117 587753443 /nfs/dbraw/zinc/75/34/43/587753443.db2.gz VMOUGJWGOCJENI-GFCCVEGCSA-N 1 2 240.278 0.975 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(OC)OC ZINC000834419432 587754814 /nfs/dbraw/zinc/75/48/14/587754814.db2.gz WVCXSVPVISKWLN-VIFPVBQESA-N 1 2 241.291 0.397 20 0 BCADLO COc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000834539155 587758942 /nfs/dbraw/zinc/75/89/42/587758942.db2.gz MBMYFIKXQSFQJS-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CC(C)[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ncon1 ZINC000834533881 587758957 /nfs/dbraw/zinc/75/89/57/587758957.db2.gz UDPWMITZEJIXPU-JTQLQIEISA-N 1 2 249.274 0.849 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000834765973 587766295 /nfs/dbraw/zinc/76/62/95/587766295.db2.gz VNWOBCFTWIQRAS-ONGXEEELSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000867121056 587799462 /nfs/dbraw/zinc/79/94/62/587799462.db2.gz KBPIONXLEYQBQK-YWVKMMECSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1[nH+]c2cc(OC(=O)CO)ccc2n1C ZINC000835504381 587806188 /nfs/dbraw/zinc/80/61/88/587806188.db2.gz KNTFYXWRPPVPSM-UHFFFAOYSA-N 1 2 220.228 0.779 20 0 BCADLO COCC[N@H+](C)CN1CC(=O)N(C(C)C)C1=O ZINC000102391333 587829785 /nfs/dbraw/zinc/82/97/85/587829785.db2.gz WGCBJFJNONYDOF-UHFFFAOYSA-N 1 2 243.307 0.195 20 0 BCADLO COCC[N@@H+](C)CN1CC(=O)N(C(C)C)C1=O ZINC000102391333 587829786 /nfs/dbraw/zinc/82/97/86/587829786.db2.gz WGCBJFJNONYDOF-UHFFFAOYSA-N 1 2 243.307 0.195 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](O)C(C)(C)C ZINC000836807702 587838408 /nfs/dbraw/zinc/83/84/08/587838408.db2.gz MSYRCYVJXXOKMT-SNVBAGLBSA-N 1 2 239.319 0.926 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866494 587840443 /nfs/dbraw/zinc/84/04/43/587840443.db2.gz PWYLVCGXDPZHER-CMSDODITSA-N 1 2 238.331 0.932 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866494 587840444 /nfs/dbraw/zinc/84/04/44/587840444.db2.gz PWYLVCGXDPZHER-CMSDODITSA-N 1 2 238.331 0.932 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1ncccc1N ZINC000837602162 587884946 /nfs/dbraw/zinc/88/49/46/587884946.db2.gz CDQZXWAIBOVTMI-UHFFFAOYSA-N 1 2 246.270 0.797 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CC2(F)F)CCO1 ZINC000837979418 587907176 /nfs/dbraw/zinc/90/71/76/587907176.db2.gz IGDZVMWQEHSOIE-RKDXNWHRSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CC2(F)F)CCO1 ZINC000837979418 587907178 /nfs/dbraw/zinc/90/71/78/587907178.db2.gz IGDZVMWQEHSOIE-RKDXNWHRSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1F ZINC000867253294 587948003 /nfs/dbraw/zinc/94/80/03/587948003.db2.gz AHVGKUBVYAKQHE-KHQFGBGNSA-N 1 2 241.266 0.650 20 0 BCADLO C[C@@H]1COCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841681815 587972232 /nfs/dbraw/zinc/97/22/32/587972232.db2.gz KBAOZFMTCOMUQC-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO C[C@@H]1COCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841681815 587972233 /nfs/dbraw/zinc/97/22/33/587972233.db2.gz KBAOZFMTCOMUQC-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)N(C)C[C@H]1C ZINC000841878354 587980035 /nfs/dbraw/zinc/98/00/35/587980035.db2.gz XAUGSODLADUYDP-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO COc1nccc(CO[NH+]=C(N)[C@H](C)OC)n1 ZINC000842036330 587991968 /nfs/dbraw/zinc/99/19/68/587991968.db2.gz LVEACDCOZJFKDG-ZETCQYMHSA-N 1 2 240.263 0.519 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)N(C)C(C)C ZINC000842036994 587992164 /nfs/dbraw/zinc/99/21/64/587992164.db2.gz SLBQAQMYHITSIS-RKDXNWHRSA-N 1 2 245.323 0.775 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N(C)C(C)C ZINC000842036993 587992188 /nfs/dbraw/zinc/99/21/88/587992188.db2.gz SLBQAQMYHITSIS-IUCAKERBSA-N 1 2 245.323 0.775 20 0 BCADLO CCc1nn(C[N@@H+]2CC[C@H](C)C2)c(=O)n1CC ZINC000842597318 588044763 /nfs/dbraw/zinc/04/47/63/588044763.db2.gz TXQQAJKDJXMKDQ-JTQLQIEISA-N 1 2 238.335 0.926 20 0 BCADLO CCc1nn(C[N@H+]2CC[C@H](C)C2)c(=O)n1CC ZINC000842597318 588044765 /nfs/dbraw/zinc/04/47/65/588044765.db2.gz TXQQAJKDJXMKDQ-JTQLQIEISA-N 1 2 238.335 0.926 20 0 BCADLO Cn1nc(C2CC2)nc1CO[NH+]=C(N)CCO ZINC000842649390 588049085 /nfs/dbraw/zinc/04/90/85/588049085.db2.gz KKPRAEVURMLJMR-UHFFFAOYSA-N 1 2 239.279 0.073 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCC[S@@](C)=O)C1 ZINC000842652761 588049736 /nfs/dbraw/zinc/04/97/36/588049736.db2.gz AVAHQDOIHADAMB-YMTOWFKASA-N 1 2 237.390 0.429 20 0 BCADLO C[N@H+]1CCO[C@@H](CSCC[S@@](C)=O)C1 ZINC000842652761 588049738 /nfs/dbraw/zinc/04/97/38/588049738.db2.gz AVAHQDOIHADAMB-YMTOWFKASA-N 1 2 237.390 0.429 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658036 588049991 /nfs/dbraw/zinc/04/99/91/588049991.db2.gz WCZPCEYWXPRBIL-ZJUUUORDSA-N 1 2 246.307 0.451 20 0 BCADLO NC(COC[C@@H]1CCCO1)=[NH+]O[C@@H]1CCOC1 ZINC000842657766 588050296 /nfs/dbraw/zinc/05/02/96/588050296.db2.gz UQIAJSXFJHWSSB-VHSXEESVSA-N 1 2 244.291 0.469 20 0 BCADLO COCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842656527 588050312 /nfs/dbraw/zinc/05/03/12/588050312.db2.gz NGYZCJUFYZFABY-VIFPVBQESA-N 1 2 232.280 0.327 20 0 BCADLO CCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842660346 588050469 /nfs/dbraw/zinc/05/04/69/588050469.db2.gz INJGZFSGKHASPL-QMMMGPOBSA-N 1 2 202.254 0.558 20 0 BCADLO CC(C)O[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661095 588050643 /nfs/dbraw/zinc/05/06/43/588050643.db2.gz LSXVNGVZRBAUDG-SECBINFHSA-N 1 2 216.281 0.946 20 0 BCADLO Cn1cc(/C=C\C(=O)NCCn2cc[nH+]c2)cn1 ZINC000842715045 588054809 /nfs/dbraw/zinc/05/48/09/588054809.db2.gz ZFCJPZBQZSSKMJ-IHWYPQMZSA-N 1 2 245.286 0.446 20 0 BCADLO CCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842962794 588073318 /nfs/dbraw/zinc/07/33/18/588073318.db2.gz HQPPUTZYWVJNEJ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842962794 588073319 /nfs/dbraw/zinc/07/33/19/588073319.db2.gz HQPPUTZYWVJNEJ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(C)=O ZINC000842965321 588073426 /nfs/dbraw/zinc/07/34/26/588073426.db2.gz NUNSJDIJZUMAFQ-KOLCDFICSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(C)=O ZINC000842965321 588073428 /nfs/dbraw/zinc/07/34/28/588073428.db2.gz NUNSJDIJZUMAFQ-KOLCDFICSA-N 1 2 231.292 0.285 20 0 BCADLO Nc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000843119371 588082821 /nfs/dbraw/zinc/08/28/21/588082821.db2.gz KRDLKTUNXIDGRA-CYBMUJFWSA-N 1 2 247.298 0.945 20 0 BCADLO Nc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000843119371 588082823 /nfs/dbraw/zinc/08/28/23/588082823.db2.gz KRDLKTUNXIDGRA-CYBMUJFWSA-N 1 2 247.298 0.945 20 0 BCADLO CC[NH2+]Cc1noc(CN2CCOCC2)n1 ZINC000843140777 588085848 /nfs/dbraw/zinc/08/58/48/588085848.db2.gz DDHLWKYJHZANRU-UHFFFAOYSA-N 1 2 226.280 0.011 20 0 BCADLO CC[NH2+]Cc1noc(-c2cccc(=O)n2C)n1 ZINC000843144793 588086911 /nfs/dbraw/zinc/08/69/11/588086911.db2.gz IWELKJLQZUEHBP-UHFFFAOYSA-N 1 2 234.259 0.545 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1(F)CC1 ZINC000843602663 588128806 /nfs/dbraw/zinc/12/88/06/588128806.db2.gz VNOQFGIMFSDFKG-SSDOTTSWSA-N 1 2 209.224 0.946 20 0 BCADLO COc1cncc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000843719967 588134749 /nfs/dbraw/zinc/13/47/49/588134749.db2.gz FWTFBMIDXWWJKO-UHFFFAOYSA-N 1 2 247.258 0.711 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000843788524 588140017 /nfs/dbraw/zinc/14/00/17/588140017.db2.gz KQORYFVZQMZSHA-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(F)CC1 ZINC000843788524 588140018 /nfs/dbraw/zinc/14/00/18/588140018.db2.gz KQORYFVZQMZSHA-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(F)CC1 ZINC000843833199 588143787 /nfs/dbraw/zinc/14/37/87/588143787.db2.gz IXGVGJQQZDQHPU-SSDOTTSWSA-N 1 2 223.251 0.885 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(F)CC1 ZINC000843833199 588143789 /nfs/dbraw/zinc/14/37/89/588143789.db2.gz IXGVGJQQZDQHPU-SSDOTTSWSA-N 1 2 223.251 0.885 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(F)CC1 ZINC000843859829 588145995 /nfs/dbraw/zinc/14/59/95/588145995.db2.gz RHLMFRHLRZUFPT-MRVPVSSYSA-N 1 2 223.251 0.816 20 0 BCADLO CCCONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000844085707 588163901 /nfs/dbraw/zinc/16/39/01/588163901.db2.gz JVQSXTSZXMPZFU-VIFPVBQESA-N 1 2 223.276 0.903 20 0 BCADLO CCCONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844149985 588170826 /nfs/dbraw/zinc/17/08/26/588170826.db2.gz FKQSCYAYAYWJFA-SECBINFHSA-N 1 2 223.276 0.903 20 0 BCADLO COC/C(C)=C/C(=O)NCCn1cc[nH+]c1 ZINC000844295848 588181584 /nfs/dbraw/zinc/18/15/84/588181584.db2.gz AVSGNLIJHJGMGN-JXMROGBWSA-N 1 2 223.276 0.592 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844431805 588192348 /nfs/dbraw/zinc/19/23/48/588192348.db2.gz WLIVBOFGNGZCIA-PGGJUINASA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844431805 588192349 /nfs/dbraw/zinc/19/23/49/588192349.db2.gz WLIVBOFGNGZCIA-PGGJUINASA-N 1 2 243.328 0.311 20 0 BCADLO C[C@@H](CC(=O)OCc1cn(C)nn1)n1cc[nH+]c1 ZINC000844483723 588198827 /nfs/dbraw/zinc/19/88/27/588198827.db2.gz NSZUMTFZADAROB-VIFPVBQESA-N 1 2 249.274 0.706 20 0 BCADLO CC[N@H+](Cn1nc(C)n(C)c1=O)C1CCC1 ZINC000844693945 588214460 /nfs/dbraw/zinc/21/44/60/588214460.db2.gz HWCVINIRPWXRSN-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO CC[N@@H+](Cn1nc(C)n(C)c1=O)C1CCC1 ZINC000844693945 588214462 /nfs/dbraw/zinc/21/44/62/588214462.db2.gz HWCVINIRPWXRSN-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=O)n1C ZINC000844697942 588214535 /nfs/dbraw/zinc/21/45/35/588214535.db2.gz ILHNXFCSTVFPDT-DTWKUNHWSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=O)n1C ZINC000844697942 588214536 /nfs/dbraw/zinc/21/45/36/588214536.db2.gz ILHNXFCSTVFPDT-DTWKUNHWSA-N 1 2 224.308 0.578 20 0 BCADLO COC(=O)CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000844767049 588215410 /nfs/dbraw/zinc/21/54/10/588215410.db2.gz WVJWBJYZLBAZET-QMMMGPOBSA-N 1 2 230.264 0.617 20 0 BCADLO CC[C@H]1C[N@H+](Cn2cnnc2)[C@@H](C)CO1 ZINC000844729754 588215415 /nfs/dbraw/zinc/21/54/15/588215415.db2.gz KXUCELOKUIMWOI-UWVGGRQHSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@H]1C[N@@H+](Cn2cnnc2)[C@@H](C)CO1 ZINC000844729754 588215416 /nfs/dbraw/zinc/21/54/16/588215416.db2.gz KXUCELOKUIMWOI-UWVGGRQHSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC000844748916 588216045 /nfs/dbraw/zinc/21/60/45/588216045.db2.gz MAVSHSJXFOHHHK-KUEQOTSFSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC000844748916 588216046 /nfs/dbraw/zinc/21/60/46/588216046.db2.gz MAVSHSJXFOHHHK-KUEQOTSFSA-N 1 2 242.344 0.018 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844757471 588216144 /nfs/dbraw/zinc/21/61/44/588216144.db2.gz OTYQGPKGQJKMMC-XHNCKOQMSA-N 1 2 246.257 0.388 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844757471 588216145 /nfs/dbraw/zinc/21/61/45/588216145.db2.gz OTYQGPKGQJKMMC-XHNCKOQMSA-N 1 2 246.257 0.388 20 0 BCADLO COC(=O)CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000844767048 588216505 /nfs/dbraw/zinc/21/65/05/588216505.db2.gz WVJWBJYZLBAZET-MRVPVSSYSA-N 1 2 230.264 0.617 20 0 BCADLO CON(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845142720 588222569 /nfs/dbraw/zinc/22/25/69/588222569.db2.gz VIAILXYIPWSLNS-UHFFFAOYSA-N 1 2 223.276 0.782 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)NCc1c[nH+]cn1C ZINC000845199758 588223474 /nfs/dbraw/zinc/22/34/74/588223474.db2.gz CKPBADZVTSJPBC-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO CC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280629 588225436 /nfs/dbraw/zinc/22/54/36/588225436.db2.gz VKSCWGNDNRJTOJ-MRVPVSSYSA-N 1 2 210.233 0.966 20 0 BCADLO CCOC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279309 588225487 /nfs/dbraw/zinc/22/54/87/588225487.db2.gz ZHVZFRSUTMURLK-VIFPVBQESA-N 1 2 240.259 0.941 20 0 BCADLO C[C@H](O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284531 588225710 /nfs/dbraw/zinc/22/57/10/588225710.db2.gz NDMORWQOXAGLRH-IUCAKERBSA-N 1 2 212.249 0.758 20 0 BCADLO C[C@@H](O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284532 588225842 /nfs/dbraw/zinc/22/58/42/588225842.db2.gz NDMORWQOXAGLRH-RKDXNWHRSA-N 1 2 212.249 0.758 20 0 BCADLO CCn1ccc(CC(=O)OCc2c[nH+]cn2C)n1 ZINC000845478581 588229885 /nfs/dbraw/zinc/22/98/85/588229885.db2.gz BNBUPCCCZAXZSA-UHFFFAOYSA-N 1 2 248.286 0.922 20 0 BCADLO COC/C(C)=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000845520008 588231815 /nfs/dbraw/zinc/23/18/15/588231815.db2.gz DUAAVKNRJVRRJX-BJMVGYQFSA-N 1 2 235.287 0.859 20 0 BCADLO CCONC(=O)CNc1cc[nH+]c(C)c1 ZINC000845713516 588242265 /nfs/dbraw/zinc/24/22/65/588242265.db2.gz MJPUAPRHOUKCJN-UHFFFAOYSA-N 1 2 209.249 0.292 20 0 BCADLO CCONC(=O)CNc1cc(CC)[nH+]c(C)n1 ZINC000845715156 588242315 /nfs/dbraw/zinc/24/23/15/588242315.db2.gz YYTBYIZBPUCCLF-UHFFFAOYSA-N 1 2 238.291 0.827 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1ncc(C)s1 ZINC000846062903 588255109 /nfs/dbraw/zinc/25/51/09/588255109.db2.gz LGLJENMVXKKUNQ-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000846087826 588255797 /nfs/dbraw/zinc/25/57/97/588255797.db2.gz UGQWPGOBBABKII-RKDXNWHRSA-N 1 2 216.281 0.211 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000846085184 588255813 /nfs/dbraw/zinc/25/58/13/588255813.db2.gz XLIOREABIRGSQG-UWVGGRQHSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000846084520 588256081 /nfs/dbraw/zinc/25/60/81/588256081.db2.gz FEASODXFZDJCBJ-VHSXEESVSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)CC1CC1 ZINC000846091130 588256178 /nfs/dbraw/zinc/25/61/78/588256178.db2.gz IIWZOYYEOFOJCU-MRVPVSSYSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000846090689 588256350 /nfs/dbraw/zinc/25/63/50/588256350.db2.gz CWUSMQKPRHEDSQ-NXEZZACHSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@H]1SC ZINC000846090917 588256356 /nfs/dbraw/zinc/25/63/56/588256356.db2.gz NBTIXAHNZWLUBD-JGVFFNPUSA-N 1 2 218.322 0.538 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)nc1 ZINC000846102353 588256663 /nfs/dbraw/zinc/25/66/63/588256663.db2.gz DJIZPPJRVDLAFF-PUTJDCORSA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)nc1 ZINC000846102353 588256664 /nfs/dbraw/zinc/25/66/64/588256664.db2.gz DJIZPPJRVDLAFF-PUTJDCORSA-N 1 2 240.303 0.926 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000846113455 588257510 /nfs/dbraw/zinc/25/75/10/588257510.db2.gz LGNQASPSTTTXLY-DTORHVGOSA-N 1 2 228.246 0.995 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000846113455 588257511 /nfs/dbraw/zinc/25/75/11/588257511.db2.gz LGNQASPSTTTXLY-DTORHVGOSA-N 1 2 228.246 0.995 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000846127169 588258087 /nfs/dbraw/zinc/25/80/87/588258087.db2.gz UCFXFYMLBXKUEI-GULOHRGCSA-N 1 2 249.314 0.907 20 0 BCADLO CCc1nc(CNC(=O)Cn2cc[nH+]c2)co1 ZINC000846245942 588262695 /nfs/dbraw/zinc/26/26/95/588262695.db2.gz HBMPAUDOAHOBTI-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO CCOC(C[N@@H+]1CCNC(=O)C1(C)C)OCC ZINC000106365601 588268966 /nfs/dbraw/zinc/26/89/66/588268966.db2.gz GBTJDQZPJXNNLB-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(C[N@H+]1CCNC(=O)C1(C)C)OCC ZINC000106365601 588268967 /nfs/dbraw/zinc/26/89/67/588268967.db2.gz GBTJDQZPJXNNLB-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO C[C@@H](CC(=O)NN1CCOCC1)n1cc[nH+]c1 ZINC000846628000 588279883 /nfs/dbraw/zinc/27/98/83/588279883.db2.gz MEPCXXSJKMPNMG-JTQLQIEISA-N 1 2 238.291 0.198 20 0 BCADLO COCC1(C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000846647771 588280576 /nfs/dbraw/zinc/28/05/76/588280576.db2.gz POBQTQXBPQCMNZ-UHFFFAOYSA-N 1 2 242.319 0.555 20 0 BCADLO C[C@H](CC(=O)Nn1ccccc1=O)n1cc[nH+]c1 ZINC000846637472 588280592 /nfs/dbraw/zinc/28/05/92/588280592.db2.gz WXNJEJJFNISEBD-SNVBAGLBSA-N 1 2 246.270 0.766 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCO[C@H](C)C2)OC1=O ZINC000846760720 588286403 /nfs/dbraw/zinc/28/64/03/588286403.db2.gz SHKFRAXZEJVLFH-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCO[C@H](C)C2)OC1=O ZINC000846760720 588286404 /nfs/dbraw/zinc/28/64/04/588286404.db2.gz SHKFRAXZEJVLFH-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@H]2C)OC1=O ZINC000846766052 588286610 /nfs/dbraw/zinc/28/66/10/588286610.db2.gz KJRLLQLJATURKE-GMTAPVOTSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@@H](C)OC[C@H]2C)OC1=O ZINC000846766052 588286611 /nfs/dbraw/zinc/28/66/11/588286611.db2.gz KJRLLQLJATURKE-GMTAPVOTSA-N 1 2 242.319 0.936 20 0 BCADLO O=C1C[N@H+](CC2(Br)CC2)CCCN1 ZINC000846795194 588288579 /nfs/dbraw/zinc/28/85/79/588288579.db2.gz IJTFVGTXJXBDOE-UHFFFAOYSA-N 1 2 247.136 0.736 20 0 BCADLO O=C1C[N@@H+](CC2(Br)CC2)CCCN1 ZINC000846795194 588288580 /nfs/dbraw/zinc/28/85/80/588288580.db2.gz IJTFVGTXJXBDOE-UHFFFAOYSA-N 1 2 247.136 0.736 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846816618 588290684 /nfs/dbraw/zinc/29/06/84/588290684.db2.gz JKHZVDJUPPIGJU-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846816618 588290685 /nfs/dbraw/zinc/29/06/85/588290685.db2.gz JKHZVDJUPPIGJU-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO NC(=O)C1([NH2+]Cc2cnsn2)CCCCC1 ZINC000846829251 588291383 /nfs/dbraw/zinc/29/13/83/588291383.db2.gz XAUAHZRRLUKECN-UHFFFAOYSA-N 1 2 240.332 0.816 20 0 BCADLO OCC[N@H+](Cc1cnsn1)C1CCOCC1 ZINC000846867738 588294319 /nfs/dbraw/zinc/29/43/19/588294319.db2.gz KRXJODLVSCUQLV-UHFFFAOYSA-N 1 2 243.332 0.511 20 0 BCADLO OCC[N@@H+](Cc1cnsn1)C1CCOCC1 ZINC000846867738 588294320 /nfs/dbraw/zinc/29/43/20/588294320.db2.gz KRXJODLVSCUQLV-UHFFFAOYSA-N 1 2 243.332 0.511 20 0 BCADLO COCCC[N@H+](CCO)Cc1cnsn1 ZINC000846867790 588294348 /nfs/dbraw/zinc/29/43/48/588294348.db2.gz ONLMLTFCIZGFKV-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO COCCC[N@@H+](CCO)Cc1cnsn1 ZINC000846867790 588294349 /nfs/dbraw/zinc/29/43/49/588294349.db2.gz ONLMLTFCIZGFKV-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnsn2)[C@H]1C ZINC000846868442 588294530 /nfs/dbraw/zinc/29/45/30/588294530.db2.gz NINYRBINRHMGGP-IONNQARKSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnsn2)[C@H]1C ZINC000846868442 588294531 /nfs/dbraw/zinc/29/45/31/588294531.db2.gz NINYRBINRHMGGP-IONNQARKSA-N 1 2 241.316 0.922 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846868691 588294553 /nfs/dbraw/zinc/29/45/53/588294553.db2.gz HOSNKEHEOUNHFE-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846868691 588294554 /nfs/dbraw/zinc/29/45/54/588294554.db2.gz HOSNKEHEOUNHFE-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)OC)OC1=O ZINC000846888445 588295487 /nfs/dbraw/zinc/29/54/87/588295487.db2.gz OXABCJBBIWCDJY-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)OC)OC1=O ZINC000846888445 588295488 /nfs/dbraw/zinc/29/54/88/588295488.db2.gz OXABCJBBIWCDJY-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO C[N@@H+]1CCN(CC[S@](C)=O)CC1(C)C ZINC000846888905 588295497 /nfs/dbraw/zinc/29/54/97/588295497.db2.gz LMGQKAOBUWDRHG-AWEZNQCLSA-N 1 2 218.366 0.391 20 0 BCADLO C[N@H+]1CCN(CC[S@](C)=O)CC1(C)C ZINC000846888905 588295498 /nfs/dbraw/zinc/29/54/98/588295498.db2.gz LMGQKAOBUWDRHG-AWEZNQCLSA-N 1 2 218.366 0.391 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CC[C@](F)(CO)C2)OC1=O ZINC000846896280 588296040 /nfs/dbraw/zinc/29/60/40/588296040.db2.gz WAZHTVHNCDQHOB-GXSJLCMTSA-N 1 2 246.282 0.233 20 0 BCADLO CCN1C[C@H](C[N@H+]2CC[C@](F)(CO)C2)OC1=O ZINC000846896280 588296041 /nfs/dbraw/zinc/29/60/41/588296041.db2.gz WAZHTVHNCDQHOB-GXSJLCMTSA-N 1 2 246.282 0.233 20 0 BCADLO CC[N@H+](Cc1cnsn1)[C@H](C)CO ZINC000846919156 588296678 /nfs/dbraw/zinc/29/66/78/588296678.db2.gz YUERGDGGCCXCAW-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1cnsn1)[C@H](C)CO ZINC000846919156 588296679 /nfs/dbraw/zinc/29/66/79/588296679.db2.gz YUERGDGGCCXCAW-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CCN1C[C@H](C[N@H+](C2CC2)C2COC2)OC1=O ZINC000846927033 588297141 /nfs/dbraw/zinc/29/71/41/588297141.db2.gz BCXFVYFRXWJRAK-LLVKDONJSA-N 1 2 240.303 0.690 20 0 BCADLO CCN1C[C@H](C[N@@H+](C2CC2)C2COC2)OC1=O ZINC000846927033 588297142 /nfs/dbraw/zinc/29/71/42/588297142.db2.gz BCXFVYFRXWJRAK-LLVKDONJSA-N 1 2 240.303 0.690 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CC[C@H](F)C2)OC1=O ZINC000846935723 588297516 /nfs/dbraw/zinc/29/75/16/588297516.db2.gz KIDCOUISHLZSNP-IUCAKERBSA-N 1 2 216.256 0.871 20 0 BCADLO CCN1C[C@H](C[N@H+]2CC[C@H](F)C2)OC1=O ZINC000846935723 588297517 /nfs/dbraw/zinc/29/75/17/588297517.db2.gz KIDCOUISHLZSNP-IUCAKERBSA-N 1 2 216.256 0.871 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000846961710 588298743 /nfs/dbraw/zinc/29/87/43/588298743.db2.gz PIEHMCBXUWSSDI-ZJUUUORDSA-N 1 2 229.320 0.935 20 0 BCADLO CON1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846972251 588299299 /nfs/dbraw/zinc/29/92/99/588299299.db2.gz PZTRQUSAHASJCE-UHFFFAOYSA-N 1 2 248.286 0.902 20 0 BCADLO CON1CC[NH+](Cc2ccncc2)CC1 ZINC000846975568 588299507 /nfs/dbraw/zinc/29/95/07/588299507.db2.gz IQKQSPXXAOYSCS-UHFFFAOYSA-N 1 2 207.277 0.761 20 0 BCADLO CON1CCN(Cc2c[nH+]cn2C)CC1 ZINC000846975470 588299593 /nfs/dbraw/zinc/29/95/93/588299593.db2.gz GGEUYMDGBCSPDH-UHFFFAOYSA-N 1 2 210.281 0.099 20 0 BCADLO CON1CC[NH+](Cc2ccccn2)CC1 ZINC000846976115 588299853 /nfs/dbraw/zinc/29/98/53/588299853.db2.gz JKXMFTOQLMATBC-UHFFFAOYSA-N 1 2 207.277 0.761 20 0 BCADLO COc1ccc(C[NH+]2CCN(OC)CC2)cn1 ZINC000846976561 588299922 /nfs/dbraw/zinc/29/99/22/588299922.db2.gz MPNWZVBMTWFUFH-UHFFFAOYSA-N 1 2 237.303 0.769 20 0 BCADLO CON1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000846978532 588300106 /nfs/dbraw/zinc/30/01/06/588300106.db2.gz XWAARRNPAZIENM-LLVKDONJSA-N 1 2 241.335 0.175 20 0 BCADLO CON1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000846983239 588300196 /nfs/dbraw/zinc/30/01/96/588300196.db2.gz PHWCYURUBQNQDK-NSHDSACASA-N 1 2 243.351 0.326 20 0 BCADLO Cc1cnc(C[NH2+][C@@]2(C(N)=O)CCOC2)s1 ZINC000847053883 588305188 /nfs/dbraw/zinc/30/51/88/588305188.db2.gz NNTIPJSYXVELDB-JTQLQIEISA-N 1 2 241.316 0.186 20 0 BCADLO CCCCOC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934151 588316551 /nfs/dbraw/zinc/31/65/51/588316551.db2.gz KCRBCTOZRGTIQL-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCCOC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934151 588316552 /nfs/dbraw/zinc/31/65/52/588316552.db2.gz KCRBCTOZRGTIQL-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CC(=O)CCN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000847624919 588319642 /nfs/dbraw/zinc/31/96/42/588319642.db2.gz ZAHIIJVHXZNOCC-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C1CC1 ZINC000847643895 588321695 /nfs/dbraw/zinc/32/16/95/588321695.db2.gz IOTARWGKIQVVNG-LDYMZIIASA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C1CC1 ZINC000847643895 588321697 /nfs/dbraw/zinc/32/16/97/588321697.db2.gz IOTARWGKIQVVNG-LDYMZIIASA-N 1 2 237.303 0.475 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NOCCO)ccn12 ZINC000847757058 588329031 /nfs/dbraw/zinc/32/90/31/588329031.db2.gz TXQZSGQYDBWCRV-UHFFFAOYSA-N 1 2 235.243 0.296 20 0 BCADLO CCO/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000848063074 588352664 /nfs/dbraw/zinc/35/26/64/588352664.db2.gz KWEUILUMNZAJFA-WWQCOOJYSA-N 1 2 235.287 0.864 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C(=O)O1 ZINC000848073808 588354156 /nfs/dbraw/zinc/35/41/56/588354156.db2.gz IGIOPIAXMRGAEH-BDAKNGLRSA-N 1 2 240.303 0.148 20 0 BCADLO C[C@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C(=O)O1 ZINC000848073817 588354205 /nfs/dbraw/zinc/35/42/05/588354205.db2.gz IGIOPIAXMRGAEH-IUCAKERBSA-N 1 2 240.303 0.148 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC(C)(C)CO ZINC000848163222 588363259 /nfs/dbraw/zinc/36/32/59/588363259.db2.gz YBMZTLZXLBNMNH-MRVPVSSYSA-N 1 2 241.291 0.407 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC(C)(C)CO ZINC000848163222 588363261 /nfs/dbraw/zinc/36/32/61/588363261.db2.gz YBMZTLZXLBNMNH-MRVPVSSYSA-N 1 2 241.291 0.407 20 0 BCADLO CC[C@H](CO)C(=O)NCc1[nH+]ccn1CC ZINC000848174486 588365405 /nfs/dbraw/zinc/36/54/05/588365405.db2.gz LRLXXHDOOPCAKY-SECBINFHSA-N 1 2 225.292 0.538 20 0 BCADLO CCc1cc(CNc2nc[nH+]c(N)c2OC)[nH]n1 ZINC000848665233 588404527 /nfs/dbraw/zinc/40/45/27/588404527.db2.gz QAKXPBUNFQPNLJ-UHFFFAOYSA-N 1 2 248.290 0.965 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cnc(Cl)n1C ZINC000848880482 588416104 /nfs/dbraw/zinc/41/61/04/588416104.db2.gz OODCXNKMZRNQIV-UHFFFAOYSA-N 1 2 244.726 0.594 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848880482 588416106 /nfs/dbraw/zinc/41/61/06/588416106.db2.gz OODCXNKMZRNQIV-UHFFFAOYSA-N 1 2 244.726 0.594 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848914667 588419967 /nfs/dbraw/zinc/41/99/67/588419967.db2.gz QRBMYXPYFFKRIN-UHFFFAOYSA-N 1 2 244.726 0.771 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848914667 588419969 /nfs/dbraw/zinc/41/99/69/588419969.db2.gz QRBMYXPYFFKRIN-UHFFFAOYSA-N 1 2 244.726 0.771 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000848916756 588420745 /nfs/dbraw/zinc/42/07/45/588420745.db2.gz MHSWQVDNPMVDOR-UHFFFAOYSA-N 1 2 242.710 0.251 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000849134867 588453389 /nfs/dbraw/zinc/45/33/89/588453389.db2.gz SXLUYMZPMJWAIN-NSHDSACASA-N 1 2 246.270 0.310 20 0 BCADLO C[Si](C)(C)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000849135999 588453693 /nfs/dbraw/zinc/45/36/93/588453693.db2.gz MPXKTFLQHLRNIB-JTQLQIEISA-N 1 2 240.383 0.816 20 0 BCADLO C[C@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000849168294 588458858 /nfs/dbraw/zinc/45/88/58/588458858.db2.gz JDJVCWJQDBKXSF-VHSXEESVSA-N 1 2 213.277 0.518 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000849225967 588463233 /nfs/dbraw/zinc/46/32/33/588463233.db2.gz IZAFTKKMQSZURZ-SNVBAGLBSA-N 1 2 220.276 0.901 20 0 BCADLO CC(C)OC[C@H]([NH3+])c1nc(N(C)C)no1 ZINC000849228313 588463803 /nfs/dbraw/zinc/46/38/03/588463803.db2.gz IDAHQLJVVYURMO-ZETCQYMHSA-N 1 2 214.269 0.560 20 0 BCADLO COC[C@@H](COC(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC000849733100 588490936 /nfs/dbraw/zinc/49/09/36/588490936.db2.gz OOGYIDLLBNSKEX-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@@H](COC(=O)[C@H]1CCCC[N@H+]1C)OC ZINC000849733100 588490937 /nfs/dbraw/zinc/49/09/37/588490937.db2.gz OOGYIDLLBNSKEX-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC[C@H](C)O)C1 ZINC000849735369 588491482 /nfs/dbraw/zinc/49/14/82/588491482.db2.gz TVUBMCJENLLWCV-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC[C@H](C)O)C1 ZINC000849735369 588491484 /nfs/dbraw/zinc/49/14/84/588491484.db2.gz TVUBMCJENLLWCV-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H](O)C(C)C)C1 ZINC000849734466 588491736 /nfs/dbraw/zinc/49/17/36/588491736.db2.gz IOZYNIAKUNJCQH-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H](O)C(C)C)C1 ZINC000849734466 588491738 /nfs/dbraw/zinc/49/17/38/588491738.db2.gz IOZYNIAKUNJCQH-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000850198940 588527198 /nfs/dbraw/zinc/52/71/98/588527198.db2.gz NSMHQQZSRAYUBK-UHFFFAOYSA-N 1 2 224.264 0.258 20 0 BCADLO Cn1ccc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000850231905 588530522 /nfs/dbraw/zinc/53/05/22/588530522.db2.gz QFPSSXNLQHXTTB-UHFFFAOYSA-N 1 2 231.303 0.853 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000850469936 588549314 /nfs/dbraw/zinc/54/93/14/588549314.db2.gz WAMAMQNJMSWSMN-SNVBAGLBSA-N 1 2 232.291 0.636 20 0 BCADLO C[C@H]1CO[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000885576815 588560435 /nfs/dbraw/zinc/56/04/35/588560435.db2.gz RULFTQXLPVAINZ-ZJUUUORDSA-N 1 2 224.260 0.851 20 0 BCADLO COC[C@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000850998940 588583006 /nfs/dbraw/zinc/58/30/06/588583006.db2.gz WGERMOKEDAYMLJ-UWVGGRQHSA-N 1 2 249.282 0.235 20 0 BCADLO COC[C@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000850998940 588583007 /nfs/dbraw/zinc/58/30/07/588583007.db2.gz WGERMOKEDAYMLJ-UWVGGRQHSA-N 1 2 249.282 0.235 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000851718013 588616383 /nfs/dbraw/zinc/61/63/83/588616383.db2.gz BFPCSVNTEHCTFU-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000851718013 588616384 /nfs/dbraw/zinc/61/63/84/588616384.db2.gz BFPCSVNTEHCTFU-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851725571 588617874 /nfs/dbraw/zinc/61/78/74/588617874.db2.gz BLJPSIZWBFMHDH-ZYHUDNBSSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851725571 588617875 /nfs/dbraw/zinc/61/78/75/588617875.db2.gz BLJPSIZWBFMHDH-ZYHUDNBSSA-N 1 2 222.288 0.836 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCOCC2)n1 ZINC000851739164 588620841 /nfs/dbraw/zinc/62/08/41/588620841.db2.gz DRBACQCZLMMFBY-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CCn1ncc(C[N@H+]2CCCOCC2)n1 ZINC000851739164 588620842 /nfs/dbraw/zinc/62/08/42/588620842.db2.gz DRBACQCZLMMFBY-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CC[N@H+](CCOC(F)F)CC(=O)OC ZINC000851749828 588622707 /nfs/dbraw/zinc/62/27/07/588622707.db2.gz NUFRNRWDQOIWNE-UHFFFAOYSA-N 1 2 211.208 0.721 20 0 BCADLO CC[N@@H+](CCOC(F)F)CC(=O)OC ZINC000851749828 588622708 /nfs/dbraw/zinc/62/27/08/588622708.db2.gz NUFRNRWDQOIWNE-UHFFFAOYSA-N 1 2 211.208 0.721 20 0 BCADLO CCN(CC(=O)OC)Cc1cn(C)c[nH+]1 ZINC000851749910 588622850 /nfs/dbraw/zinc/62/28/50/588622850.db2.gz QSJGDTFJJHPYCQ-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)c1ccccn1 ZINC000851749976 588623229 /nfs/dbraw/zinc/62/32/29/588623229.db2.gz SPNRZZRCTHWGKI-NSHDSACASA-N 1 2 238.287 0.610 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)c1ccccn1 ZINC000851749976 588623230 /nfs/dbraw/zinc/62/32/30/588623230.db2.gz SPNRZZRCTHWGKI-NSHDSACASA-N 1 2 238.287 0.610 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC(=O)O1 ZINC000851769346 588625391 /nfs/dbraw/zinc/62/53/91/588625391.db2.gz RTUUQNMHGAFISD-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC(=O)O1 ZINC000851769346 588625392 /nfs/dbraw/zinc/62/53/92/588625392.db2.gz RTUUQNMHGAFISD-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO O[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccn1 ZINC000851793825 588629309 /nfs/dbraw/zinc/62/93/09/588629309.db2.gz KXQHKXNRUJKGQS-LOWVWBTDSA-N 1 2 234.299 0.978 20 0 BCADLO O[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccn1 ZINC000851793825 588629310 /nfs/dbraw/zinc/62/93/10/588629310.db2.gz KXQHKXNRUJKGQS-LOWVWBTDSA-N 1 2 234.299 0.978 20 0 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OCCCOC1CC[NH+](Cc2cnon2)CC1 ZINC000851808808 588631991 /nfs/dbraw/zinc/63/19/91/588631991.db2.gz QICPMBAZXPLVGL-UHFFFAOYSA-N 1 2 241.291 0.433 20 0 BCADLO CC(=O)N1CC[N@H+](CCOC(F)F)[C@H](C)C1 ZINC000851814537 588633123 /nfs/dbraw/zinc/63/31/23/588633123.db2.gz SXAYWXVOGCXCDH-MRVPVSSYSA-N 1 2 236.262 0.778 20 0 BCADLO CC(=O)N1CC[N@@H+](CCOC(F)F)[C@H](C)C1 ZINC000851814537 588633124 /nfs/dbraw/zinc/63/31/24/588633124.db2.gz SXAYWXVOGCXCDH-MRVPVSSYSA-N 1 2 236.262 0.778 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CCC(=O)O2)no1 ZINC000851839878 588634389 /nfs/dbraw/zinc/63/43/89/588634389.db2.gz HEGIVRYNGNXLRQ-MRVPVSSYSA-N 1 2 239.275 0.908 20 0 BCADLO CNC(=O)N1CC[NH+](CCOC(F)F)CC1 ZINC000851851651 588634937 /nfs/dbraw/zinc/63/49/37/588634937.db2.gz RXVUXZQCJQGSNN-UHFFFAOYSA-N 1 2 237.250 0.183 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCOC[C@@H](C)C2)C1=O ZINC000851866109 588636599 /nfs/dbraw/zinc/63/65/99/588636599.db2.gz KHVOQXZABNYDJM-VHSXEESVSA-N 1 2 228.292 0.117 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCOC[C@@H](C)C2)C1=O ZINC000851866109 588636600 /nfs/dbraw/zinc/63/66/00/588636600.db2.gz KHVOQXZABNYDJM-VHSXEESVSA-N 1 2 228.292 0.117 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCOC[C@@H](C)C2)C1=O ZINC000851866107 588636947 /nfs/dbraw/zinc/63/69/47/588636947.db2.gz KHVOQXZABNYDJM-UWVGGRQHSA-N 1 2 228.292 0.117 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCOC[C@@H](C)C2)C1=O ZINC000851866107 588636948 /nfs/dbraw/zinc/63/69/48/588636948.db2.gz KHVOQXZABNYDJM-UWVGGRQHSA-N 1 2 228.292 0.117 20 0 BCADLO CCN(CCS(C)(=O)=O)Cc1cn(C)c[nH+]1 ZINC000851867156 588636958 /nfs/dbraw/zinc/63/69/58/588636958.db2.gz ZGHATSCKYYSNGY-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851870451 588637487 /nfs/dbraw/zinc/63/74/87/588637487.db2.gz FINBMBBHQMOFGQ-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851870451 588637488 /nfs/dbraw/zinc/63/74/88/588637488.db2.gz FINBMBBHQMOFGQ-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851871749 588637583 /nfs/dbraw/zinc/63/75/83/588637583.db2.gz UKKIKARHQMBZAY-VIFPVBQESA-N 1 2 223.276 0.558 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851871749 588637584 /nfs/dbraw/zinc/63/75/84/588637584.db2.gz UKKIKARHQMBZAY-VIFPVBQESA-N 1 2 223.276 0.558 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000851876458 588638155 /nfs/dbraw/zinc/63/81/55/588638155.db2.gz FRFOLUWAYMOCBS-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000851876458 588638156 /nfs/dbraw/zinc/63/81/56/588638156.db2.gz FRFOLUWAYMOCBS-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO COC(=O)/C(C)=C/CN(C)Cc1[nH]cc[nH+]1 ZINC000851874147 588638249 /nfs/dbraw/zinc/63/82/49/588638249.db2.gz AJRXERDJSHYENJ-RUDMXATFSA-N 1 2 223.276 0.961 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H]1COC(C)(C)O1 ZINC000851873906 588638254 /nfs/dbraw/zinc/63/82/54/588638254.db2.gz SVQCGTLRNCUWME-VIFPVBQESA-N 1 2 225.292 0.993 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1COC(C)(C)O1 ZINC000851873906 588638255 /nfs/dbraw/zinc/63/82/55/588638255.db2.gz SVQCGTLRNCUWME-VIFPVBQESA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1COC(C)(C)O1 ZINC000851873906 588638256 /nfs/dbraw/zinc/63/82/56/588638256.db2.gz SVQCGTLRNCUWME-VIFPVBQESA-N 1 2 225.292 0.993 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000851881769 588639307 /nfs/dbraw/zinc/63/93/07/588639307.db2.gz NLWBGJCSVIUHNI-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851881769 588639308 /nfs/dbraw/zinc/63/93/08/588639308.db2.gz NLWBGJCSVIUHNI-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851883261 588639694 /nfs/dbraw/zinc/63/96/94/588639694.db2.gz CNHVTTLHCQSZCW-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851883261 588639695 /nfs/dbraw/zinc/63/96/95/588639695.db2.gz CNHVTTLHCQSZCW-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO c1nonc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000851919503 588643427 /nfs/dbraw/zinc/64/34/27/588643427.db2.gz KAAQOIUSMYYXRC-UHFFFAOYSA-N 1 2 209.249 0.682 20 0 BCADLO c1nonc1C[N@H+]1CCOCC2(CC2)C1 ZINC000851919503 588643428 /nfs/dbraw/zinc/64/34/28/588643428.db2.gz KAAQOIUSMYYXRC-UHFFFAOYSA-N 1 2 209.249 0.682 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935990 588645781 /nfs/dbraw/zinc/64/57/81/588645781.db2.gz HVJBMRRPODFMKX-DTWKUNHWSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935990 588645782 /nfs/dbraw/zinc/64/57/82/588645782.db2.gz HVJBMRRPODFMKX-DTWKUNHWSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935990 588645783 /nfs/dbraw/zinc/64/57/83/588645783.db2.gz HVJBMRRPODFMKX-DTWKUNHWSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935990 588645784 /nfs/dbraw/zinc/64/57/84/588645784.db2.gz HVJBMRRPODFMKX-DTWKUNHWSA-N 1 2 238.291 0.367 20 0 BCADLO OC[C@@H]([NH2+]Cc1cnon1)c1ccsc1 ZINC000851944936 588646809 /nfs/dbraw/zinc/64/68/09/588646809.db2.gz XYKOGQZIMOKYOA-SECBINFHSA-N 1 2 225.273 0.954 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000851956046 588648011 /nfs/dbraw/zinc/64/80/11/588648011.db2.gz BDVNSGRMKMZLPA-KOLCDFICSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000851956046 588648012 /nfs/dbraw/zinc/64/80/12/588648012.db2.gz BDVNSGRMKMZLPA-KOLCDFICSA-N 1 2 224.308 0.501 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOC(F)F ZINC000851957847 588648152 /nfs/dbraw/zinc/64/81/52/588648152.db2.gz UVNNNYBNSBCBAH-SSDOTTSWSA-N 1 2 222.235 0.388 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOC(F)F ZINC000851957847 588648153 /nfs/dbraw/zinc/64/81/53/588648153.db2.gz UVNNNYBNSBCBAH-SSDOTTSWSA-N 1 2 222.235 0.388 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851965988 588648448 /nfs/dbraw/zinc/64/84/48/588648448.db2.gz BRZWYNICTGHXCR-JDNHERCYSA-N 1 2 245.344 0.535 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851965988 588648449 /nfs/dbraw/zinc/64/84/49/588648449.db2.gz BRZWYNICTGHXCR-JDNHERCYSA-N 1 2 245.344 0.535 20 0 BCADLO C[C@H]([NH2+]CCOC(F)F)c1ncn(C)n1 ZINC000851965650 588648470 /nfs/dbraw/zinc/64/84/70/588648470.db2.gz SRZATOJAANGZJB-LURJTMIESA-N 1 2 220.223 0.705 20 0 BCADLO CCn1ncc(C[N@H+](C)CCCCO)n1 ZINC000851976812 588650662 /nfs/dbraw/zinc/65/06/62/588650662.db2.gz KOCQHLCEEMVFLS-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCn1ncc(C[N@@H+](C)CCCCO)n1 ZINC000851976812 588650663 /nfs/dbraw/zinc/65/06/63/588650663.db2.gz KOCQHLCEEMVFLS-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO C[C@@H]([NH2+]CCc1c[nH]nn1)c1nnnn1C1CC1 ZINC000851981033 588651147 /nfs/dbraw/zinc/65/11/47/588651147.db2.gz OPYNIAVYBQEKFS-SSDOTTSWSA-N 1 2 248.294 0.019 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000852014021 588655234 /nfs/dbraw/zinc/65/52/34/588655234.db2.gz ADOWXKGOZHAIDK-ZETCQYMHSA-N 1 2 243.275 0.345 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000852014021 588655235 /nfs/dbraw/zinc/65/52/35/588655235.db2.gz ADOWXKGOZHAIDK-ZETCQYMHSA-N 1 2 243.275 0.345 20 0 BCADLO COC[C@H](C[N@@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000852016994 588655274 /nfs/dbraw/zinc/65/52/74/588655274.db2.gz PYGNPBMMXMFSAN-DTWKUNHWSA-N 1 2 239.262 0.614 20 0 BCADLO COC[C@H](C[N@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000852016994 588655275 /nfs/dbraw/zinc/65/52/75/588655275.db2.gz PYGNPBMMXMFSAN-DTWKUNHWSA-N 1 2 239.262 0.614 20 0 BCADLO CCn1ncc(C[NH2+][C@](C)(C(N)=O)C(C)C)n1 ZINC000852038927 588657091 /nfs/dbraw/zinc/65/70/91/588657091.db2.gz AMHCNVQDANOCCH-NSHDSACASA-N 1 2 239.323 0.288 20 0 BCADLO COCCOCC[N@H+](C)Cc1cnon1 ZINC000852054165 588658036 /nfs/dbraw/zinc/65/80/36/588658036.db2.gz QRQUAUFQYODFQU-UHFFFAOYSA-N 1 2 215.253 0.164 20 0 BCADLO COCCOCC[N@@H+](C)Cc1cnon1 ZINC000852054165 588658037 /nfs/dbraw/zinc/65/80/37/588658037.db2.gz QRQUAUFQYODFQU-UHFFFAOYSA-N 1 2 215.253 0.164 20 0 BCADLO Cc1nonc1CN1CCn2c[nH+]cc2C1 ZINC000852064941 588658992 /nfs/dbraw/zinc/65/89/92/588658992.db2.gz FUOGJWDNSNFSJO-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000852078482 588660377 /nfs/dbraw/zinc/66/03/77/588660377.db2.gz CONBDSCSMHSUOU-NXEZZACHSA-N 1 2 245.319 0.674 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000852078482 588660378 /nfs/dbraw/zinc/66/03/78/588660378.db2.gz CONBDSCSMHSUOU-NXEZZACHSA-N 1 2 245.319 0.674 20 0 BCADLO COC(CC[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000852139672 588666297 /nfs/dbraw/zinc/66/62/97/588666297.db2.gz BBEWDAZAEFKZKU-QMMMGPOBSA-N 1 2 241.278 0.943 20 0 BCADLO COC(CC[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000852139672 588666298 /nfs/dbraw/zinc/66/62/98/588666298.db2.gz BBEWDAZAEFKZKU-QMMMGPOBSA-N 1 2 241.278 0.943 20 0 BCADLO CON1CC[NH+](Cc2cncs2)CC1 ZINC000852143760 588666791 /nfs/dbraw/zinc/66/67/91/588666791.db2.gz GSJHOKGTSNEMNX-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cnon3)C2)[nH]1 ZINC000852175471 588669694 /nfs/dbraw/zinc/66/96/94/588669694.db2.gz HBZNBDHZOLMHNM-MRVPVSSYSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cnon3)C2)[nH]1 ZINC000852175471 588669695 /nfs/dbraw/zinc/66/96/95/588669695.db2.gz HBZNBDHZOLMHNM-MRVPVSSYSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC000852175471 588669696 /nfs/dbraw/zinc/66/96/96/588669696.db2.gz HBZNBDHZOLMHNM-MRVPVSSYSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC000852175471 588669697 /nfs/dbraw/zinc/66/96/97/588669697.db2.gz HBZNBDHZOLMHNM-MRVPVSSYSA-N 1 2 234.263 0.486 20 0 BCADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852188607 588671148 /nfs/dbraw/zinc/67/11/48/588671148.db2.gz KOGZXMWJLLPJMP-SSDOTTSWSA-N 1 2 241.247 0.160 20 0 BCADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852188607 588671149 /nfs/dbraw/zinc/67/11/49/588671149.db2.gz KOGZXMWJLLPJMP-SSDOTTSWSA-N 1 2 241.247 0.160 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187810 588671247 /nfs/dbraw/zinc/67/12/47/588671247.db2.gz UKZPXAFKTGZGNS-SFYZADRCSA-N 1 2 227.264 0.775 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187810 588671248 /nfs/dbraw/zinc/67/12/48/588671248.db2.gz UKZPXAFKTGZGNS-SFYZADRCSA-N 1 2 227.264 0.775 20 0 BCADLO COC(CC[N@H+](C)Cc1nc(C)no1)OC ZINC000852218277 588673870 /nfs/dbraw/zinc/67/38/70/588673870.db2.gz GIORTUSZFCDQPC-UHFFFAOYSA-N 1 2 229.280 0.819 20 0 BCADLO COC(CC[N@@H+](C)Cc1nc(C)no1)OC ZINC000852218277 588673871 /nfs/dbraw/zinc/67/38/71/588673871.db2.gz GIORTUSZFCDQPC-UHFFFAOYSA-N 1 2 229.280 0.819 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccccn1 ZINC000852287821 588675686 /nfs/dbraw/zinc/67/56/86/588675686.db2.gz GWSZNIHWHQCFSG-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccccn1 ZINC000852287821 588675687 /nfs/dbraw/zinc/67/56/87/588675687.db2.gz GWSZNIHWHQCFSG-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccccn1 ZINC000852287821 588675688 /nfs/dbraw/zinc/67/56/88/588675688.db2.gz GWSZNIHWHQCFSG-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccccn1 ZINC000852287821 588675689 /nfs/dbraw/zinc/67/56/89/588675689.db2.gz GWSZNIHWHQCFSG-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+](CC2OCCO2)CCO1 ZINC000852322935 588678435 /nfs/dbraw/zinc/67/84/35/588678435.db2.gz SRKYOFKNGRHHQE-LBPRGKRZSA-N 1 2 227.304 0.860 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+](CC2OCCO2)CCO1 ZINC000852322935 588678436 /nfs/dbraw/zinc/67/84/36/588678436.db2.gz SRKYOFKNGRHHQE-LBPRGKRZSA-N 1 2 227.304 0.860 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](CCS(C)(=O)=O)CCO1 ZINC000852323907 588678884 /nfs/dbraw/zinc/67/88/84/588678884.db2.gz NIRFPOYHJGIHKS-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000852323907 588678885 /nfs/dbraw/zinc/67/88/85/588678885.db2.gz NIRFPOYHJGIHKS-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1C=CCC1 ZINC000852342148 588679107 /nfs/dbraw/zinc/67/91/07/588679107.db2.gz HTTLLJOGNCHEHM-VIFPVBQESA-N 1 2 220.276 0.938 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000852437410 588682100 /nfs/dbraw/zinc/68/21/00/588682100.db2.gz BPRBVMDXOXDILA-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000852437410 588682101 /nfs/dbraw/zinc/68/21/01/588682101.db2.gz BPRBVMDXOXDILA-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000852437410 588682102 /nfs/dbraw/zinc/68/21/02/588682102.db2.gz BPRBVMDXOXDILA-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000852437410 588682103 /nfs/dbraw/zinc/68/21/03/588682103.db2.gz BPRBVMDXOXDILA-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCC(C)=O ZINC000852440890 588682680 /nfs/dbraw/zinc/68/26/80/588682680.db2.gz GTJPKADFNUOIFT-UHFFFAOYSA-N 1 2 211.261 0.603 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCC(C)=O ZINC000852440890 588682681 /nfs/dbraw/zinc/68/26/81/588682681.db2.gz GTJPKADFNUOIFT-UHFFFAOYSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CCS(C)(=O)=O ZINC000852441359 588682683 /nfs/dbraw/zinc/68/26/83/588682683.db2.gz NGHYZAOZLGMJFQ-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1CCS(C)(=O)=O ZINC000852441359 588682684 /nfs/dbraw/zinc/68/26/84/588682684.db2.gz NGHYZAOZLGMJFQ-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1nnc(C)o1 ZINC000852471311 588683164 /nfs/dbraw/zinc/68/31/64/588683164.db2.gz KIOQQXAVCIPBPW-UHFFFAOYSA-N 1 2 242.279 0.220 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1nnc(C)o1 ZINC000852471311 588683165 /nfs/dbraw/zinc/68/31/65/588683165.db2.gz KIOQQXAVCIPBPW-UHFFFAOYSA-N 1 2 242.279 0.220 20 0 BCADLO COCC[N@H+](CCF)CC1OCCO1 ZINC000852482179 588684481 /nfs/dbraw/zinc/68/44/81/588684481.db2.gz WRQRNIJDKVEUNH-UHFFFAOYSA-N 1 2 207.245 0.277 20 0 BCADLO COCC[N@@H+](CCF)CC1OCCO1 ZINC000852482179 588684482 /nfs/dbraw/zinc/68/44/82/588684482.db2.gz WRQRNIJDKVEUNH-UHFFFAOYSA-N 1 2 207.245 0.277 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CCF)CCOC ZINC000852484474 588685033 /nfs/dbraw/zinc/68/50/33/588685033.db2.gz FHQVMBBFTWMCMY-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CCF)CCOC ZINC000852484474 588685034 /nfs/dbraw/zinc/68/50/34/588685034.db2.gz FHQVMBBFTWMCMY-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO CCCOC(=O)[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000852499272 588685650 /nfs/dbraw/zinc/68/56/50/588685650.db2.gz FRJBUICRPLXQGF-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537455 588688788 /nfs/dbraw/zinc/68/87/88/588688788.db2.gz DOMLQSUESXRAOW-JOYOIKCWSA-N 1 2 235.287 0.447 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537455 588688789 /nfs/dbraw/zinc/68/87/89/588688789.db2.gz DOMLQSUESXRAOW-JOYOIKCWSA-N 1 2 235.287 0.447 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537629 588689228 /nfs/dbraw/zinc/68/92/28/588689228.db2.gz KINKSGSCZVZXRO-GXSJLCMTSA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537629 588689229 /nfs/dbraw/zinc/68/92/29/588689229.db2.gz KINKSGSCZVZXRO-GXSJLCMTSA-N 1 2 222.292 0.255 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852538366 588689240 /nfs/dbraw/zinc/68/92/40/588689240.db2.gz DXWJTIGFLHRACO-CMPLNLGQSA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852538366 588689241 /nfs/dbraw/zinc/68/92/41/588689241.db2.gz DXWJTIGFLHRACO-CMPLNLGQSA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000852553157 588689515 /nfs/dbraw/zinc/68/95/15/588689515.db2.gz MKVVMVFQLHGSMN-UHFFFAOYSA-N 1 2 224.308 0.862 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000852553157 588689516 /nfs/dbraw/zinc/68/95/16/588689516.db2.gz MKVVMVFQLHGSMN-UHFFFAOYSA-N 1 2 224.308 0.862 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000852683169 588695295 /nfs/dbraw/zinc/69/52/95/588695295.db2.gz GMJAOVCFYWIIPY-UHFFFAOYSA-N 1 2 227.304 0.908 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC2(COC2)C1 ZINC000852683169 588695296 /nfs/dbraw/zinc/69/52/96/588695296.db2.gz GMJAOVCFYWIIPY-UHFFFAOYSA-N 1 2 227.304 0.908 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000852764908 588701122 /nfs/dbraw/zinc/70/11/22/588701122.db2.gz JXZLQJINZOOINJ-UHFFFAOYSA-N 1 2 238.291 0.730 20 0 BCADLO Cc1c[nH+]cn1CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000860890131 589126203 /nfs/dbraw/zinc/12/62/03/589126203.db2.gz ATZYQKXWZHKHOB-MRVPVSSYSA-N 1 2 235.247 0.614 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NN1CCCC1)CC2 ZINC000861522877 589167305 /nfs/dbraw/zinc/16/73/05/589167305.db2.gz IOEZHXBLPLNCGX-NSHDSACASA-N 1 2 248.330 0.881 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1 ZINC000861752558 589176487 /nfs/dbraw/zinc/17/64/87/589176487.db2.gz JPOXONVPMQMKEZ-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO O=C(C1=CCCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861760637 589177198 /nfs/dbraw/zinc/17/71/98/589177198.db2.gz KTOCZTHKBZXTGW-UHFFFAOYSA-N 1 2 233.271 0.989 20 0 BCADLO O=C(C1=CCCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861760637 589177200 /nfs/dbraw/zinc/17/72/00/589177200.db2.gz KTOCZTHKBZXTGW-UHFFFAOYSA-N 1 2 233.271 0.989 20 0 BCADLO CC1=NO[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000861763677 589177276 /nfs/dbraw/zinc/17/72/76/589177276.db2.gz WURDZPJFLSVFBS-JTQLQIEISA-N 1 2 234.259 0.459 20 0 BCADLO CC1=NO[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861763677 589177277 /nfs/dbraw/zinc/17/72/77/589177277.db2.gz WURDZPJFLSVFBS-JTQLQIEISA-N 1 2 234.259 0.459 20 0 BCADLO COc1nc(C(=O)N[C@@H]2CCn3cc[nH+]c32)co1 ZINC000861852017 589180482 /nfs/dbraw/zinc/18/04/82/589180482.db2.gz BUBQAYFNNQHRAI-SSDOTTSWSA-N 1 2 248.242 0.755 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000861854151 589180941 /nfs/dbraw/zinc/18/09/41/589180941.db2.gz SSLVEXSCILJPCQ-JTQLQIEISA-N 1 2 245.286 0.649 20 0 BCADLO COC(=O)[C@]1(F)CCN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000862252492 589197293 /nfs/dbraw/zinc/19/72/93/589197293.db2.gz VHQKYXXDPGMCJB-NSHDSACASA-N 1 2 241.266 0.805 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@@]23CCOC3=O)[nH+]1 ZINC000862332188 589201063 /nfs/dbraw/zinc/20/10/63/589201063.db2.gz GIGRUCJHRQDYTR-LBPRGKRZSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1c(C[N@@H+]2CCOC[C@H](O)C2)ccnc1F ZINC000862383118 589206833 /nfs/dbraw/zinc/20/68/33/589206833.db2.gz KSYQITQYYKZDPW-LLVKDONJSA-N 1 2 240.278 0.722 20 0 BCADLO Cc1c(C[N@H+]2CCOC[C@H](O)C2)ccnc1F ZINC000862383118 589206835 /nfs/dbraw/zinc/20/68/35/589206835.db2.gz KSYQITQYYKZDPW-LLVKDONJSA-N 1 2 240.278 0.722 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1oc(C)nc1C ZINC000862400184 589209349 /nfs/dbraw/zinc/20/93/49/589209349.db2.gz PFKXHNJAGULAAO-UHFFFAOYSA-N 1 2 241.291 0.791 20 0 BCADLO COC(=O)C1=CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000862465290 589216068 /nfs/dbraw/zinc/21/60/68/589216068.db2.gz GOIVWHFFWIFNRJ-MRVPVSSYSA-N 1 2 239.300 0.890 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000862766673 589238964 /nfs/dbraw/zinc/23/89/64/589238964.db2.gz YPUKTZRELDYRIO-SECBINFHSA-N 1 2 231.259 0.412 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H]1CCOC1=O)C(C)C ZINC000119195866 589247719 /nfs/dbraw/zinc/24/77/19/589247719.db2.gz DDYWMONWRAJIQS-UWVGGRQHSA-N 1 2 243.303 0.727 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862968648 589249392 /nfs/dbraw/zinc/24/93/92/589249392.db2.gz AHRLMWIEFVOOKS-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862968648 589249394 /nfs/dbraw/zinc/24/93/94/589249394.db2.gz AHRLMWIEFVOOKS-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO CC(C(=O)NC[C@@H]1COCC[N@H+]1C)=C1CCC1 ZINC000862968652 589249540 /nfs/dbraw/zinc/24/95/40/589249540.db2.gz AJEXTTDHQAWJJB-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CC(C(=O)NC[C@@H]1COCC[N@@H+]1C)=C1CCC1 ZINC000862968652 589249542 /nfs/dbraw/zinc/24/95/42/589249542.db2.gz AJEXTTDHQAWJJB-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CC(C)OCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862972478 589249762 /nfs/dbraw/zinc/24/97/62/589249762.db2.gz DPFNZERTMQCYBA-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862972478 589249764 /nfs/dbraw/zinc/24/97/64/589249764.db2.gz DPFNZERTMQCYBA-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971091 589249949 /nfs/dbraw/zinc/24/99/49/589249949.db2.gz IURJKGVDKZMSGE-WRGWHIHZSA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971091 589249951 /nfs/dbraw/zinc/24/99/51/589249951.db2.gz IURJKGVDKZMSGE-WRGWHIHZSA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971092 589249997 /nfs/dbraw/zinc/24/99/97/589249997.db2.gz IURJKGVDKZMSGE-XXZAKMSKSA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971092 589249999 /nfs/dbraw/zinc/24/99/99/589249999.db2.gz IURJKGVDKZMSGE-XXZAKMSKSA-N 1 2 224.304 0.566 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC000862972044 589250242 /nfs/dbraw/zinc/25/02/42/589250242.db2.gz XSZKQELVQMRENR-RXNFCKPNSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC000862972044 589250244 /nfs/dbraw/zinc/25/02/44/589250244.db2.gz XSZKQELVQMRENR-RXNFCKPNSA-N 1 2 249.314 0.475 20 0 BCADLO CC/C(C)=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969629 589250333 /nfs/dbraw/zinc/25/03/33/589250333.db2.gz NPJCJOHHQRQTJY-PFEDMVJOSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C(C)=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969629 589250334 /nfs/dbraw/zinc/25/03/34/589250334.db2.gz NPJCJOHHQRQTJY-PFEDMVJOSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=S)NC1CCC1 ZINC000863226689 589273192 /nfs/dbraw/zinc/27/31/92/589273192.db2.gz OVUJMDOBGTVUCU-JTQLQIEISA-N 1 2 243.376 0.334 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=S)NC1CCC1 ZINC000863226689 589273193 /nfs/dbraw/zinc/27/31/93/589273193.db2.gz OVUJMDOBGTVUCU-JTQLQIEISA-N 1 2 243.376 0.334 20 0 BCADLO CC[C@H](C)NC(=S)NC[C@@H]1COCC[N@@H+]1C ZINC000863227033 589273260 /nfs/dbraw/zinc/27/32/60/589273260.db2.gz ZRRJTSSMEWVXND-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CC[C@H](C)NC(=S)NC[C@@H]1COCC[N@H+]1C ZINC000863227033 589273261 /nfs/dbraw/zinc/27/32/61/589273261.db2.gz ZRRJTSSMEWVXND-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO O=C1CCN1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304524 589277556 /nfs/dbraw/zinc/27/75/56/589277556.db2.gz FMPRALRVQXQGAD-VHSXEESVSA-N 1 2 210.277 0.430 20 0 BCADLO O=C1CCN1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304524 589277557 /nfs/dbraw/zinc/27/75/57/589277557.db2.gz FMPRALRVQXQGAD-VHSXEESVSA-N 1 2 210.277 0.430 20 0 BCADLO FCC[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000863317664 589279288 /nfs/dbraw/zinc/27/92/88/589279288.db2.gz CVDFNTXCRUPQDY-SECBINFHSA-N 1 2 214.244 0.296 20 0 BCADLO FCC[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000863317664 589279290 /nfs/dbraw/zinc/27/92/90/589279290.db2.gz CVDFNTXCRUPQDY-SECBINFHSA-N 1 2 214.244 0.296 20 0 BCADLO C[N@H+](Cn1ccsc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322748 589280039 /nfs/dbraw/zinc/28/00/39/589280039.db2.gz NTVBIFDIQOFLBZ-OCAPTIKFSA-N 1 2 241.316 0.063 20 0 BCADLO C[N@@H+](Cn1ccsc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322748 589280041 /nfs/dbraw/zinc/28/00/41/589280041.db2.gz NTVBIFDIQOFLBZ-OCAPTIKFSA-N 1 2 241.316 0.063 20 0 BCADLO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC(C)(C)C ZINC000863385349 589286097 /nfs/dbraw/zinc/28/60/97/589286097.db2.gz JYWNRKOJYRRXDL-CIUDSAMLSA-N 1 2 242.319 0.570 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(-c3ccncn3)no2)C1 ZINC000863457450 589289628 /nfs/dbraw/zinc/28/96/28/589289628.db2.gz HEMZIWULBBXKKI-VIFPVBQESA-N 1 2 247.258 0.530 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(-c3ccncn3)no2)C1 ZINC000863457450 589289629 /nfs/dbraw/zinc/28/96/29/589289629.db2.gz HEMZIWULBBXKKI-VIFPVBQESA-N 1 2 247.258 0.530 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC1CC(OC)C1 ZINC000863459300 589290159 /nfs/dbraw/zinc/29/01/59/589290159.db2.gz NUAYKIKSZINEMQ-KKMMWDRVSA-N 1 2 202.254 0.697 20 0 BCADLO COC1(C(N)=[NH+]O[C@H]2CCNC2=O)CCCC1 ZINC000863477947 589292320 /nfs/dbraw/zinc/29/23/20/589292320.db2.gz DBPBOPOHEYISLT-QMMMGPOBSA-N 1 2 241.291 0.333 20 0 BCADLO CC[C@@H](C)C[N@H+](C)Cn1nc(COC)oc1=O ZINC000119688085 589324407 /nfs/dbraw/zinc/32/44/07/589324407.db2.gz PWYFWPLSJGXFQC-SECBINFHSA-N 1 2 243.307 0.918 20 0 BCADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(COC)oc1=O ZINC000119688085 589324408 /nfs/dbraw/zinc/32/44/08/589324408.db2.gz PWYFWPLSJGXFQC-SECBINFHSA-N 1 2 243.307 0.918 20 0 BCADLO COCc1nn(C[N@@H+]2CCC[C@H]2C)c(=O)o1 ZINC000119791561 589333879 /nfs/dbraw/zinc/33/38/79/589333879.db2.gz FRSXPSOBHGBVAI-MRVPVSSYSA-N 1 2 227.264 0.425 20 0 BCADLO COCc1nn(C[N@H+]2CCC[C@H]2C)c(=O)o1 ZINC000119791561 589333881 /nfs/dbraw/zinc/33/38/81/589333881.db2.gz FRSXPSOBHGBVAI-MRVPVSSYSA-N 1 2 227.264 0.425 20 0 BCADLO COCc1nn(C[N@@H+]2CCC[C@@H]2C)c(=O)o1 ZINC000119791700 589333983 /nfs/dbraw/zinc/33/39/83/589333983.db2.gz FRSXPSOBHGBVAI-QMMMGPOBSA-N 1 2 227.264 0.425 20 0 BCADLO COCc1nn(C[N@H+]2CCC[C@@H]2C)c(=O)o1 ZINC000119791700 589333984 /nfs/dbraw/zinc/33/39/84/589333984.db2.gz FRSXPSOBHGBVAI-QMMMGPOBSA-N 1 2 227.264 0.425 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC2(C)C)s1 ZINC000864052896 589335224 /nfs/dbraw/zinc/33/52/24/589335224.db2.gz RCCBWTFFYQOCFE-QMMMGPOBSA-N 1 2 240.332 0.461 20 0 BCADLO C[C@@]12COC[C@]1(C)CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000864059546 589336457 /nfs/dbraw/zinc/33/64/57/589336457.db2.gz LJUGYOQHBFQBKL-BETUJISGSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CO ZINC000864062390 589337148 /nfs/dbraw/zinc/33/71/48/589337148.db2.gz HHVXESOYSGIJPB-ZJUUUORDSA-N 1 2 237.303 0.429 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000864080541 589341569 /nfs/dbraw/zinc/34/15/69/589341569.db2.gz HJXDLEYYWMRLMV-QRJSTWQJSA-N 1 2 232.711 0.576 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000864080541 589341571 /nfs/dbraw/zinc/34/15/71/589341571.db2.gz HJXDLEYYWMRLMV-QRJSTWQJSA-N 1 2 232.711 0.576 20 0 BCADLO CO[C@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864080378 589341639 /nfs/dbraw/zinc/34/16/39/589341639.db2.gz IECOOTITMHNFSD-ONGXEEELSA-N 1 2 237.303 0.978 20 0 BCADLO CN(CCCF)S(=O)(=O)CCn1cc[nH+]c1 ZINC000885849303 589354071 /nfs/dbraw/zinc/35/40/71/589354071.db2.gz AXFQZUSPZBKVAB-UHFFFAOYSA-N 1 2 249.311 0.504 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864405813 589359137 /nfs/dbraw/zinc/35/91/37/589359137.db2.gz QUJOITLSTVXEGU-SCZZXKLOSA-N 1 2 223.276 0.702 20 0 BCADLO CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864439612 589362985 /nfs/dbraw/zinc/36/29/85/589362985.db2.gz CSFVNPOTNGKQBC-ARJAWSKDSA-N 1 2 212.293 0.401 20 0 BCADLO CN(Cc1ccco1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864524468 589375139 /nfs/dbraw/zinc/37/51/39/589375139.db2.gz VIMCOKOMQJLZIQ-SNVBAGLBSA-N 1 2 235.243 0.695 20 0 BCADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864756892 589392447 /nfs/dbraw/zinc/39/24/47/589392447.db2.gz QZYROWLCNAFCEI-VIFPVBQESA-N 1 2 209.249 0.454 20 0 BCADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864756891 589392487 /nfs/dbraw/zinc/39/24/87/589392487.db2.gz QZYROWLCNAFCEI-SECBINFHSA-N 1 2 209.249 0.454 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864761112 589392514 /nfs/dbraw/zinc/39/25/14/589392514.db2.gz GWILUSYIWSGABR-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CC(C)N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864778282 589393909 /nfs/dbraw/zinc/39/39/09/589393909.db2.gz RMMKCIHGRWKRDH-PLNGDYQASA-N 1 2 226.320 0.742 20 0 BCADLO CC(C)CN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864812880 589395268 /nfs/dbraw/zinc/39/52/68/589395268.db2.gz GTERDDYTWXGDRI-PLNGDYQASA-N 1 2 240.347 0.989 20 0 BCADLO CC(C)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864812734 589395347 /nfs/dbraw/zinc/39/53/47/589395347.db2.gz BBMZDLPVDIFNLL-SECBINFHSA-N 1 2 211.265 0.558 20 0 BCADLO CN(Cc1ccoc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864973486 589402901 /nfs/dbraw/zinc/40/29/01/589402901.db2.gz QWIKTWINVNNGBE-SNVBAGLBSA-N 1 2 235.243 0.695 20 0 BCADLO C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCCO1 ZINC000865131517 589410237 /nfs/dbraw/zinc/41/02/37/589410237.db2.gz QBOYJYHCPZGNHP-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865403505 589432849 /nfs/dbraw/zinc/43/28/49/589432849.db2.gz XLBUPHHRRIYSAS-UHFFFAOYSA-N 1 2 236.319 0.834 20 0 BCADLO Cc1cc(C[NH2+]CCS(=O)(=O)C2CC2)on1 ZINC000865604888 589450349 /nfs/dbraw/zinc/45/03/49/589450349.db2.gz YCSIEEWTFOHSNO-UHFFFAOYSA-N 1 2 244.316 0.650 20 0 BCADLO CC(C)Cc1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC000865624565 589452190 /nfs/dbraw/zinc/45/21/90/589452190.db2.gz VOJXUVIGWOLMBD-SNVBAGLBSA-N 1 2 225.292 0.440 20 0 BCADLO CC[C@@H](C)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865696988 589457003 /nfs/dbraw/zinc/45/70/03/589457003.db2.gz VNEBFRQLWMTHJK-PSASIEDQSA-N 1 2 225.292 0.948 20 0 BCADLO Cc1c(Cl)c(C[NH2+]C[C@H](O)[C@@H](C)O)nn1C ZINC000865737892 589459472 /nfs/dbraw/zinc/45/94/72/589459472.db2.gz HDKIXTJRHDYFFI-APPZFPTMSA-N 1 2 247.726 0.213 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC(=O)O1 ZINC000865743769 589460424 /nfs/dbraw/zinc/46/04/24/589460424.db2.gz IBLHTFPWNQYNIP-SECBINFHSA-N 1 2 245.238 0.978 20 0 BCADLO COC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000205648528 589460637 /nfs/dbraw/zinc/46/06/37/589460637.db2.gz XMLBPCMQTPMEFQ-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO COC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000205648528 589460638 /nfs/dbraw/zinc/46/06/38/589460638.db2.gz XMLBPCMQTPMEFQ-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO Cc1nc(N2CCO[C@H](C(F)F)C2)nc(N)[nH+]1 ZINC000865763061 589461384 /nfs/dbraw/zinc/46/13/84/589461384.db2.gz BXEKEALSKBBOCZ-LURJTMIESA-N 1 2 245.233 0.233 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](C(F)F)C2)[nH+]1 ZINC000865763061 589461385 /nfs/dbraw/zinc/46/13/85/589461385.db2.gz BXEKEALSKBBOCZ-LURJTMIESA-N 1 2 245.233 0.233 20 0 BCADLO CCCCc1cc(NCCn2cnnn2)nc[nH+]1 ZINC000865902532 589467902 /nfs/dbraw/zinc/46/79/02/589467902.db2.gz CTUSBVWTRUSVAJ-UHFFFAOYSA-N 1 2 247.306 0.918 20 0 BCADLO CC[C@@H]1COCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865905801 589467949 /nfs/dbraw/zinc/46/79/49/589467949.db2.gz XBIDQMPYILRJBY-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H](O)c1ccc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]c1 ZINC000865908396 589468239 /nfs/dbraw/zinc/46/82/39/589468239.db2.gz CMNRPQGQDQCEBI-QNSHHTMESA-N 1 2 235.287 0.811 20 0 BCADLO Cc1nocc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000866098525 589475976 /nfs/dbraw/zinc/47/59/76/589475976.db2.gz SZPLLAORDLTAMU-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1nocc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000866098525 589475977 /nfs/dbraw/zinc/47/59/77/589475977.db2.gz SZPLLAORDLTAMU-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(NC[C@H](O)[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000866109579 589476878 /nfs/dbraw/zinc/47/68/78/589476878.db2.gz IJVUCRXFPKRZOJ-SCZZXKLOSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H](O)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000866111169 589476943 /nfs/dbraw/zinc/47/69/43/589476943.db2.gz YHSCDOPDAGBTRS-CBAPKCEASA-N 1 2 223.276 0.508 20 0 BCADLO CCCCc1cc(NC[C@H](O)[C@H](C)O)nc[nH+]1 ZINC000866111398 589477033 /nfs/dbraw/zinc/47/70/33/589477033.db2.gz CUUQPLUYJGPXSF-ONGXEEELSA-N 1 2 239.319 0.973 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000866111879 589477073 /nfs/dbraw/zinc/47/70/73/589477073.db2.gz NAFFCVBNGSYAIE-APPZFPTMSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000866111879 589477074 /nfs/dbraw/zinc/47/70/74/589477074.db2.gz NAFFCVBNGSYAIE-APPZFPTMSA-N 1 2 238.291 0.205 20 0 BCADLO O=C1OC[C@]2(CNc3cccc[nH+]3)COCCN12 ZINC000866155870 589478106 /nfs/dbraw/zinc/47/81/06/589478106.db2.gz AOGYLOLESIBEED-LBPRGKRZSA-N 1 2 249.270 0.715 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC(C(F)(F)F)C1 ZINC000866177629 589478989 /nfs/dbraw/zinc/47/89/89/589478989.db2.gz IUJIYRIVGPZZJC-ZETCQYMHSA-N 1 2 249.192 0.464 20 0 BCADLO Cc1nnc2cc(NCc3c[nH+]cn3C)ncn12 ZINC000866308264 589485474 /nfs/dbraw/zinc/48/54/74/589485474.db2.gz ALEUMIHHDGGXDL-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CC(C)[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481293 589495965 /nfs/dbraw/zinc/49/59/65/589495965.db2.gz NPTFNWIQJAQWIF-ONGXEEELSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866703292 589513611 /nfs/dbraw/zinc/51/36/11/589513611.db2.gz KQANHBXDQANOBZ-KHQFGBGNSA-N 1 2 239.275 0.079 20 0 BCADLO COC/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866744715 589517306 /nfs/dbraw/zinc/51/73/06/589517306.db2.gz PHJIVIJYGKNIRE-HWKANZROSA-N 1 2 237.303 0.934 20 0 BCADLO C[N@@H+]1CCN(C(=O)OCCCF)[C@@H](CO)C1 ZINC000867537942 589524661 /nfs/dbraw/zinc/52/46/61/589524661.db2.gz DEDXPKCUHPTODG-SECBINFHSA-N 1 2 234.271 0.091 20 0 BCADLO C[N@H+]1CCN(C(=O)OCCCF)[C@@H](CO)C1 ZINC000867537942 589524662 /nfs/dbraw/zinc/52/46/62/589524662.db2.gz DEDXPKCUHPTODG-SECBINFHSA-N 1 2 234.271 0.091 20 0 BCADLO CC(C)CCOC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000867538412 589524935 /nfs/dbraw/zinc/52/49/35/589524935.db2.gz KNQHQIKEKOLOJP-LLVKDONJSA-N 1 2 244.335 0.777 20 0 BCADLO CC(C)CCOC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000867538412 589524937 /nfs/dbraw/zinc/52/49/37/589524937.db2.gz KNQHQIKEKOLOJP-LLVKDONJSA-N 1 2 244.335 0.777 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000867549547 589525341 /nfs/dbraw/zinc/52/53/41/589525341.db2.gz PLUKHYJCBKTSKZ-CGGZTBSLSA-N 1 2 244.310 0.775 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000867549547 589525344 /nfs/dbraw/zinc/52/53/44/589525344.db2.gz PLUKHYJCBKTSKZ-CGGZTBSLSA-N 1 2 244.310 0.775 20 0 BCADLO CC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867907087 589539416 /nfs/dbraw/zinc/53/94/16/589539416.db2.gz MWGBKJQXCLWWOX-MRVPVSSYSA-N 1 2 209.249 0.312 20 0 BCADLO CC1(C)CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867907124 589539439 /nfs/dbraw/zinc/53/94/39/589539439.db2.gz NPBWAXALPNEFAN-ARJAWSKDSA-N 1 2 238.331 0.743 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NN1CCCC1 ZINC000868046624 589546484 /nfs/dbraw/zinc/54/64/84/589546484.db2.gz ZWKSEDNQXVAQLB-ARJAWSKDSA-N 1 2 239.319 0.002 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868317749 589554484 /nfs/dbraw/zinc/55/44/84/589554484.db2.gz QEHJLRNULSYTKK-FQVTYBBZSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H](F)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868573403 589564829 /nfs/dbraw/zinc/56/48/29/589564829.db2.gz DHYSFAINANSDJK-KXMPLOMGSA-N 1 2 244.310 0.739 20 0 BCADLO CCOC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868621969 589568594 /nfs/dbraw/zinc/56/85/94/589568594.db2.gz UCCXWKVPKINXNK-SECBINFHSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@H](F)CCNC(=O)NCc1c[nH+]cn1C ZINC000868650280 589569360 /nfs/dbraw/zinc/56/93/60/589569360.db2.gz CXEBRDMXRXXXFY-QMMMGPOBSA-N 1 2 228.271 0.967 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](F)C1 ZINC000868688098 589572982 /nfs/dbraw/zinc/57/29/82/589572982.db2.gz XABYNLZKSXVOBX-SVRRBLITSA-N 1 2 213.212 0.014 20 0 BCADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCOC1 ZINC000868690914 589573239 /nfs/dbraw/zinc/57/32/39/589573239.db2.gz PKPRCJQPYHLPEM-UHFFFAOYSA-N 1 2 249.245 0.832 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC(CC(F)F)C1 ZINC000868967887 589584019 /nfs/dbraw/zinc/58/40/19/589584019.db2.gz RYKSKGAYSUJSCJ-VIFPVBQESA-N 1 2 245.229 0.557 20 0 BCADLO O=C(N[C@H]1CCOC1=O)c1ccc2[nH+]ccn2c1 ZINC000869090353 589587036 /nfs/dbraw/zinc/58/70/36/589587036.db2.gz HLHXTFSCTWDXRG-VIFPVBQESA-N 1 2 245.238 0.380 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](F)C1 ZINC000869169526 589591769 /nfs/dbraw/zinc/59/17/69/589591769.db2.gz QFLVRVIRMMHKIS-CBAPKCEASA-N 1 2 227.239 0.404 20 0 BCADLO CC12CC(C1)CN2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869332030 589598987 /nfs/dbraw/zinc/59/89/87/589598987.db2.gz QLIJRBIJLQENRE-PUDKOPFASA-N 1 2 221.260 0.454 20 0 BCADLO CN(C[C@H]1CC1(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869326379 589599031 /nfs/dbraw/zinc/59/90/31/589599031.db2.gz RZSJWCZQMIFCMI-SCZZXKLOSA-N 1 2 237.303 0.948 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000869867645 589633311 /nfs/dbraw/zinc/63/33/11/589633311.db2.gz FNEQGNHWPHJBGW-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CCC(=O)NC2)c[nH+]1 ZINC000123090617 589661486 /nfs/dbraw/zinc/66/14/86/589661486.db2.gz JVFAZWDIMBSGOS-ZETCQYMHSA-N 1 2 234.259 0.129 20 0 BCADLO COCC1(C2CC2)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870524330 589671043 /nfs/dbraw/zinc/67/10/43/589671043.db2.gz MGAQICMGBBQHDA-UHFFFAOYSA-N 1 2 249.314 0.837 20 0 BCADLO CO[C@H]1CC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000870716739 589686336 /nfs/dbraw/zinc/68/63/36/589686336.db2.gz QOYQACAYYKUODE-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO CC[C@](C)(NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000888550814 589719606 /nfs/dbraw/zinc/71/96/06/589719606.db2.gz AYXDWRFMDRCAKP-NSHDSACASA-N 1 2 238.291 0.043 20 0 BCADLO CS[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000871094995 589724956 /nfs/dbraw/zinc/72/49/56/589724956.db2.gz DOLDAWTVPFJQCL-CZMCAQCFSA-N 1 2 239.344 0.973 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)c1cccc2[nH+]ccn21 ZINC000871113168 589728316 /nfs/dbraw/zinc/72/83/16/589728316.db2.gz HHMANSMFBTVDSJ-ONGXEEELSA-N 1 2 245.282 0.978 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000871629931 589779230 /nfs/dbraw/zinc/77/92/30/589779230.db2.gz PSRQGGBKVPLMGS-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000871629931 589779234 /nfs/dbraw/zinc/77/92/34/589779234.db2.gz PSRQGGBKVPLMGS-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=S)NC ZINC000871688200 589791771 /nfs/dbraw/zinc/79/17/71/589791771.db2.gz GEVNEOJJDMGIKL-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=S)NC ZINC000871688200 589791773 /nfs/dbraw/zinc/79/17/73/589791773.db2.gz GEVNEOJJDMGIKL-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO Cn1nccc1CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000871749547 589805327 /nfs/dbraw/zinc/80/53/27/589805327.db2.gz YTNHTUZEYGKPPW-SNVBAGLBSA-N 1 2 238.291 0.640 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C ZINC000871759954 589807559 /nfs/dbraw/zinc/80/75/59/589807559.db2.gz AQNSWCJSMRIIQL-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C ZINC000871759954 589807561 /nfs/dbraw/zinc/80/75/61/589807561.db2.gz AQNSWCJSMRIIQL-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO NC(COC1CCC1)=[NH+]OCC1(CO)COC1 ZINC000871774671 589812941 /nfs/dbraw/zinc/81/29/41/589812941.db2.gz DWVJJYPNEUZCRN-UHFFFAOYSA-N 1 2 244.291 0.063 20 0 BCADLO Cn1nccc1CO[NH+]=C(N)COC1CCC1 ZINC000871775326 589813876 /nfs/dbraw/zinc/81/38/76/589813876.db2.gz LIVWNFOTJFLIJM-UHFFFAOYSA-N 1 2 238.291 0.988 20 0 BCADLO NC(COC1CCC1)=[NH+]O[C@@H]1CCOC1 ZINC000871778364 589814192 /nfs/dbraw/zinc/81/41/92/589814192.db2.gz FOWZPVLQSRJVMS-SECBINFHSA-N 1 2 214.265 0.843 20 0 BCADLO Cn1cc(CO[NH+]=C(N)COC2CCC2)nn1 ZINC000871775240 589814306 /nfs/dbraw/zinc/81/43/06/589814306.db2.gz KCBDEAZKBRFUEN-UHFFFAOYSA-N 1 2 239.279 0.383 20 0 BCADLO Cn1nncc1CO[NH+]=C(N)COC1CCC1 ZINC000871778893 589814653 /nfs/dbraw/zinc/81/46/53/589814653.db2.gz WSUPHCJLPKAXGX-UHFFFAOYSA-N 1 2 239.279 0.383 20 0 BCADLO NC(COC1CCC1)=[NH+]OCCC1(O)CC1 ZINC000871778915 589815257 /nfs/dbraw/zinc/81/52/57/589815257.db2.gz XXAHSYDVJCQCHP-UHFFFAOYSA-N 1 2 228.292 0.969 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)COC1CCC1 ZINC000871779058 589815297 /nfs/dbraw/zinc/81/52/97/589815297.db2.gz ZNRDIJFLHSGUJX-QMMMGPOBSA-N 1 2 216.281 0.825 20 0 BCADLO COC[C@@H](C)[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000872097914 589869322 /nfs/dbraw/zinc/86/93/22/589869322.db2.gz CUDYALVYXYNEDY-RFAUZJTJSA-N 1 2 235.353 0.230 20 0 BCADLO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000872201221 589890037 /nfs/dbraw/zinc/89/00/37/589890037.db2.gz SSIVSGOADFYQIE-VIFPVBQESA-N 1 2 213.281 0.021 20 0 BCADLO C[S@](=O)CCNc1nc[nH+]c2c1CCC2 ZINC000124010818 589903214 /nfs/dbraw/zinc/90/32/14/589903214.db2.gz OVAOAQVBDQFPCZ-OAHLLOKOSA-N 1 2 225.317 0.756 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872279757 589904942 /nfs/dbraw/zinc/90/49/42/589904942.db2.gz HHXIPZMQVQAXPA-YPMHNXCESA-N 1 2 249.314 0.790 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC[S@@](C)=O ZINC000124036048 589906487 /nfs/dbraw/zinc/90/64/87/589906487.db2.gz TTWHFHDDKUNSIT-INIZCTEOSA-N 1 2 239.304 0.154 20 0 BCADLO CNC(=O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317335 589910486 /nfs/dbraw/zinc/91/04/86/589910486.db2.gz OTLBHIPOONQABK-UHFFFAOYSA-N 1 2 234.303 0.079 20 0 BCADLO CNC(=O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317335 589910489 /nfs/dbraw/zinc/91/04/89/589910489.db2.gz OTLBHIPOONQABK-UHFFFAOYSA-N 1 2 234.303 0.079 20 0 BCADLO CC(=O)C1CC[NH+](CN2CCCC2=O)CC1 ZINC000872800042 589971549 /nfs/dbraw/zinc/97/15/49/589971549.db2.gz QCRGILXSBGFSFR-UHFFFAOYSA-N 1 2 224.304 0.867 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1ccon1 ZINC000873132719 589985763 /nfs/dbraw/zinc/98/57/63/589985763.db2.gz CYMUMASPWKTNOM-UHFFFAOYSA-N 1 2 213.237 0.174 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)=O ZINC000873363831 590031476 /nfs/dbraw/zinc/03/14/76/590031476.db2.gz VFYNXBMPIHKKRY-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)=O ZINC000873363831 590031478 /nfs/dbraw/zinc/03/14/78/590031478.db2.gz VFYNXBMPIHKKRY-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO C[C@H](C(=O)O[C@@H]1CCOC1)[NH+]1CCSCC1 ZINC000124587969 590059627 /nfs/dbraw/zinc/05/96/27/590059627.db2.gz VTWFZXRQUKOVTN-NXEZZACHSA-N 1 2 245.344 0.756 20 0 BCADLO O=C(c1cnsn1)N1CC[NH+](C2CC2)CC1 ZINC000124697436 590075516 /nfs/dbraw/zinc/07/55/16/590075516.db2.gz ZJGDYFUWUHMIHH-UHFFFAOYSA-N 1 2 238.316 0.458 20 0 BCADLO C[C@H](C(=O)OCCF)[NH+]1CCSCC1 ZINC000124912581 590098951 /nfs/dbraw/zinc/09/89/51/590098951.db2.gz PIWQSZKCMGJMBQ-MRVPVSSYSA-N 1 2 221.297 0.936 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(OC)OC ZINC000874258403 590100911 /nfs/dbraw/zinc/10/09/11/590100911.db2.gz LABAOHXDZCYAAZ-UHFFFAOYSA-N 1 2 226.232 0.648 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1c[nH]ccc1=O ZINC000874311794 590103165 /nfs/dbraw/zinc/10/31/65/590103165.db2.gz UAXFWECYTLJNEH-UHFFFAOYSA-N 1 2 221.260 0.409 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1C ZINC000874699592 590124518 /nfs/dbraw/zinc/12/45/18/590124518.db2.gz SOIGKTXWNONVIR-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1C ZINC000874699592 590124520 /nfs/dbraw/zinc/12/45/20/590124520.db2.gz SOIGKTXWNONVIR-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(C[C@H]1COC(=O)C1)Nc1cc[nH+]cc1O ZINC000125122978 590125051 /nfs/dbraw/zinc/12/50/51/590125051.db2.gz GPYDHWYURRBWBF-SSDOTTSWSA-N 1 2 236.227 0.679 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C ZINC000874706564 590125086 /nfs/dbraw/zinc/12/50/86/590125086.db2.gz SOIGKTXWNONVIR-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C ZINC000874706564 590125088 /nfs/dbraw/zinc/12/50/88/590125088.db2.gz SOIGKTXWNONVIR-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1nonc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000874812522 590139814 /nfs/dbraw/zinc/13/98/14/590139814.db2.gz NKOIYGHOARICHQ-UHFFFAOYSA-N 1 2 235.247 0.268 20 0 BCADLO Cc1nonc1CNC(=O)Cc1[nH+]c[nH]c1C ZINC000874812522 590139815 /nfs/dbraw/zinc/13/98/15/590139815.db2.gz NKOIYGHOARICHQ-UHFFFAOYSA-N 1 2 235.247 0.268 20 0 BCADLO O=C(CO)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892158 590153671 /nfs/dbraw/zinc/15/36/71/590153671.db2.gz AVSITIAUZAJYHV-LLVKDONJSA-N 1 2 238.262 0.291 20 0 BCADLO O=C(CO)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874892159 590153727 /nfs/dbraw/zinc/15/37/27/590153727.db2.gz AVSITIAUZAJYHV-NSHDSACASA-N 1 2 238.262 0.291 20 0 BCADLO CC(C)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000874984361 590159079 /nfs/dbraw/zinc/15/90/79/590159079.db2.gz MLEGDTOZGKOBHJ-VIFPVBQESA-N 1 2 222.292 0.763 20 0 BCADLO CC(C)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000874984360 590159137 /nfs/dbraw/zinc/15/91/37/590159137.db2.gz MLEGDTOZGKOBHJ-SECBINFHSA-N 1 2 222.292 0.763 20 0 BCADLO C/C=C\CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875195359 590161668 /nfs/dbraw/zinc/16/16/68/590161668.db2.gz NOTKUAOZWJZMLT-BYCRGOAPSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C\CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875195359 590161669 /nfs/dbraw/zinc/16/16/69/590161669.db2.gz NOTKUAOZWJZMLT-BYCRGOAPSA-N 1 2 241.335 0.582 20 0 BCADLO O=C(NCc1ccon1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875340279 590162946 /nfs/dbraw/zinc/16/29/46/590162946.db2.gz PXLKHXFZLJTTMB-SECBINFHSA-N 1 2 247.258 0.295 20 0 BCADLO Cn1cc(NC(=O)N[C@H]2CCn3cc[nH+]c32)cn1 ZINC000875626010 590167094 /nfs/dbraw/zinc/16/70/94/590167094.db2.gz GTZTYZRYAGPIML-VIFPVBQESA-N 1 2 246.274 0.883 20 0 BCADLO Cn1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c32)cn1 ZINC000875626009 590167246 /nfs/dbraw/zinc/16/72/46/590167246.db2.gz GTZTYZRYAGPIML-SECBINFHSA-N 1 2 246.274 0.883 20 0 BCADLO O=C(Nc1ncccn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000888709972 590191409 /nfs/dbraw/zinc/19/14/09/590191409.db2.gz YMPNQVWBWMCSNJ-MRVPVSSYSA-N 1 2 244.258 0.420 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)NCc1c[nH+]cn1C ZINC000876305193 590194268 /nfs/dbraw/zinc/19/42/68/590194268.db2.gz GZSYWCBPJOUXBD-PSASIEDQSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC000876305468 590194395 /nfs/dbraw/zinc/19/43/95/590194395.db2.gz KEWWYZWVYBVKNL-BDAKNGLRSA-N 1 2 222.292 0.970 20 0 BCADLO Nc1ccc(NC(=O)CN2CCOC2=O)c[nH+]1 ZINC000876523544 590207722 /nfs/dbraw/zinc/20/77/22/590207722.db2.gz ZUVFAWVVUWDJGW-UHFFFAOYSA-N 1 2 236.231 0.055 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@H]2CCOC2)nn1 ZINC000876691055 590231044 /nfs/dbraw/zinc/23/10/44/590231044.db2.gz YWSHUDMGTDFUHD-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@H]2CCOC2)nn1 ZINC000876691055 590231045 /nfs/dbraw/zinc/23/10/45/590231045.db2.gz YWSHUDMGTDFUHD-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N(C1CC1)C1CC1 ZINC000877024139 590270373 /nfs/dbraw/zinc/27/03/73/590270373.db2.gz RQCUOYBZQPALCE-UHFFFAOYSA-N 1 2 246.314 0.822 20 0 BCADLO CCc1cc(C[NH2+]Cc2ncnn2CC)[nH]n1 ZINC000877033742 590272069 /nfs/dbraw/zinc/27/20/69/590272069.db2.gz LYUBIWCIFBHEJM-UHFFFAOYSA-N 1 2 234.307 0.873 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cc(OC)cnc1F ZINC000877143105 590291775 /nfs/dbraw/zinc/29/17/75/590291775.db2.gz ZUZFOIIYBXLBAD-UHFFFAOYSA-N 1 2 241.266 0.455 20 0 BCADLO NC(=O)C1([NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877323595 590317046 /nfs/dbraw/zinc/31/70/46/590317046.db2.gz UFFYYWBPKRNRPW-UHFFFAOYSA-N 1 2 231.708 0.904 20 0 BCADLO CC1C[NH+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000877488006 590339384 /nfs/dbraw/zinc/33/93/84/590339384.db2.gz ITKQHXRQOBUVAS-UHFFFAOYSA-N 1 2 246.357 0.847 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cccc(F)c2N)n1 ZINC000877523544 590346949 /nfs/dbraw/zinc/34/69/49/590346949.db2.gz XLWVPZDZRFSHPG-UHFFFAOYSA-N 1 2 235.266 0.826 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cc2ccon2)C1 ZINC000877562823 590359444 /nfs/dbraw/zinc/35/94/44/590359444.db2.gz AMZMQFQMGZYMSA-SECBINFHSA-N 1 2 218.203 0.877 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cc2ccon2)C1 ZINC000877562823 590359446 /nfs/dbraw/zinc/35/94/46/590359446.db2.gz AMZMQFQMGZYMSA-SECBINFHSA-N 1 2 218.203 0.877 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000877613541 590373283 /nfs/dbraw/zinc/37/32/83/590373283.db2.gz LPRQQPZNHYITNU-YUMQZZPRSA-N 1 2 218.322 0.538 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000877614037 590373652 /nfs/dbraw/zinc/37/36/52/590373652.db2.gz UDFMEKKWRDEFHW-BQBZGAKWSA-N 1 2 222.235 0.687 20 0 BCADLO CCONC(=O)C[NH2+]C1CC(n2cccn2)C1 ZINC000877613608 590373795 /nfs/dbraw/zinc/37/37/95/590373795.db2.gz NOOLJIFKRKKSKW-UHFFFAOYSA-N 1 2 238.291 0.244 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000877748826 590413488 /nfs/dbraw/zinc/41/34/88/590413488.db2.gz BRLVFPLWFMOAOV-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000877748826 590413489 /nfs/dbraw/zinc/41/34/89/590413489.db2.gz BRLVFPLWFMOAOV-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccnc(F)c2)C[C@@H]1O ZINC000877750439 590413988 /nfs/dbraw/zinc/41/39/88/590413988.db2.gz PDQZCDYXTPZLLZ-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccnc(F)c2)C[C@@H]1O ZINC000877750439 590413989 /nfs/dbraw/zinc/41/39/89/590413989.db2.gz PDQZCDYXTPZLLZ-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@@H]1O ZINC000877750062 590414398 /nfs/dbraw/zinc/41/43/98/590414398.db2.gz GVMQNYSAWXWPBP-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1O ZINC000877750062 590414399 /nfs/dbraw/zinc/41/43/99/590414399.db2.gz GVMQNYSAWXWPBP-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccncc2F)C[C@@H]1O ZINC000877749966 590414903 /nfs/dbraw/zinc/41/49/03/590414903.db2.gz DVUHCNOWAWUPKK-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccncc2F)C[C@@H]1O ZINC000877749966 590414904 /nfs/dbraw/zinc/41/49/04/590414904.db2.gz DVUHCNOWAWUPKK-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877751526 590415499 /nfs/dbraw/zinc/41/54/99/590415499.db2.gz CRROQDOSRVKNKF-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877751526 590415500 /nfs/dbraw/zinc/41/55/00/590415500.db2.gz CRROQDOSRVKNKF-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000877752640 590415979 /nfs/dbraw/zinc/41/59/79/590415979.db2.gz RNWZIWTUWIDLQR-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000877752640 590415981 /nfs/dbraw/zinc/41/59/81/590415981.db2.gz RNWZIWTUWIDLQR-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CO[C@H](C)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000877790880 590424432 /nfs/dbraw/zinc/42/44/32/590424432.db2.gz XNXSRZTYVWHWPI-PSLIRLAXSA-N 1 2 235.353 0.230 20 0 BCADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)cs1 ZINC000877825747 590428525 /nfs/dbraw/zinc/42/85/25/590428525.db2.gz AVTCDKOAWPIKIB-UHFFFAOYSA-N 1 2 248.373 0.777 20 0 BCADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)cs1 ZINC000877825747 590428526 /nfs/dbraw/zinc/42/85/26/590428526.db2.gz AVTCDKOAWPIKIB-UHFFFAOYSA-N 1 2 248.373 0.777 20 0 BCADLO O=C1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCN1 ZINC000877905718 590444457 /nfs/dbraw/zinc/44/44/57/590444457.db2.gz BVUHMYPIDCPYNA-VWYCJHECSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCN1 ZINC000877905718 590444459 /nfs/dbraw/zinc/44/44/59/590444459.db2.gz BVUHMYPIDCPYNA-VWYCJHECSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCN1 ZINC000877905715 590444500 /nfs/dbraw/zinc/44/45/00/590444500.db2.gz BVUHMYPIDCPYNA-DCAQKATOSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCN1 ZINC000877905715 590444502 /nfs/dbraw/zinc/44/45/02/590444502.db2.gz BVUHMYPIDCPYNA-DCAQKATOSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CCN1 ZINC000877905717 590444688 /nfs/dbraw/zinc/44/46/88/590444688.db2.gz BVUHMYPIDCPYNA-OUAUKWLOSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CCN1 ZINC000877905717 590444691 /nfs/dbraw/zinc/44/46/91/590444691.db2.gz BVUHMYPIDCPYNA-OUAUKWLOSA-N 1 2 224.304 0.376 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000877921140 590447656 /nfs/dbraw/zinc/44/76/56/590447656.db2.gz FAOUDGQKXFASQT-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000877921140 590447657 /nfs/dbraw/zinc/44/76/57/590447657.db2.gz FAOUDGQKXFASQT-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO C[N@H+](CCO)Cc1nnc(-c2ccccc2O)o1 ZINC000877949517 590454655 /nfs/dbraw/zinc/45/46/55/590454655.db2.gz ITAWYMNPSQSNRW-UHFFFAOYSA-N 1 2 249.270 0.866 20 0 BCADLO O=c1[nH]ccn2c(C[NH+]3C4CCC3CC4)nnc12 ZINC000877950957 590455277 /nfs/dbraw/zinc/45/52/77/590455277.db2.gz GVRBPXGDBWFMQK-UHFFFAOYSA-N 1 2 245.286 0.544 20 0 BCADLO CC[N@H+](Cc1nnc2c(=O)n(C)ccn12)C1CC1 ZINC000877953980 590456187 /nfs/dbraw/zinc/45/61/87/590456187.db2.gz FDNGSSZCMQMGLL-UHFFFAOYSA-N 1 2 247.302 0.412 20 0 BCADLO CC[N@@H+](Cc1nnc2c(=O)n(C)ccn12)C1CC1 ZINC000877953980 590456188 /nfs/dbraw/zinc/45/61/88/590456188.db2.gz FDNGSSZCMQMGLL-UHFFFAOYSA-N 1 2 247.302 0.412 20 0 BCADLO c1cc([C@H]2CCC[N@@H+](CCn3cnnn3)C2)[nH]n1 ZINC000877975691 590464133 /nfs/dbraw/zinc/46/41/33/590464133.db2.gz CVGJTOAKQPIXQL-JTQLQIEISA-N 1 2 247.306 0.276 20 0 BCADLO c1cc([C@H]2CCC[N@H+](CCn3cnnn3)C2)[nH]n1 ZINC000877975691 590464135 /nfs/dbraw/zinc/46/41/35/590464135.db2.gz CVGJTOAKQPIXQL-JTQLQIEISA-N 1 2 247.306 0.276 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878039834 590477776 /nfs/dbraw/zinc/47/77/76/590477776.db2.gz DTEMYGFNOZDCCX-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878039834 590477778 /nfs/dbraw/zinc/47/77/78/590477778.db2.gz DTEMYGFNOZDCCX-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO COCC(C)(C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878044241 590479275 /nfs/dbraw/zinc/47/92/75/590479275.db2.gz JLDFHGAPJQXCTD-UHFFFAOYSA-N 1 2 236.337 0.255 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000878053253 590483632 /nfs/dbraw/zinc/48/36/32/590483632.db2.gz XTSVTGCPPSWCSE-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000878053253 590483634 /nfs/dbraw/zinc/48/36/34/590483634.db2.gz XTSVTGCPPSWCSE-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)nc1Cl ZINC000878158683 590509964 /nfs/dbraw/zinc/50/99/64/590509964.db2.gz LESBKODHPXZDCA-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)nc1Cl ZINC000878158683 590509965 /nfs/dbraw/zinc/50/99/65/590509965.db2.gz LESBKODHPXZDCA-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000878177169 590515997 /nfs/dbraw/zinc/51/59/97/590515997.db2.gz RLGIGBQSUKMART-VIFPVBQESA-N 1 2 212.297 0.644 20 0 BCADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000878177169 590515998 /nfs/dbraw/zinc/51/59/98/590515998.db2.gz RLGIGBQSUKMART-VIFPVBQESA-N 1 2 212.297 0.644 20 0 BCADLO NC(=O)C1([NH2+]Cc2nccn2CC(F)F)CC1 ZINC000878386104 590558991 /nfs/dbraw/zinc/55/89/91/590558991.db2.gz VLMRCDFZMOCJCV-UHFFFAOYSA-N 1 2 244.245 0.256 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000878433331 590567088 /nfs/dbraw/zinc/56/70/88/590567088.db2.gz ZITAFRAJADNVQU-DTORHVGOSA-N 1 2 238.291 0.224 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000878433331 590567089 /nfs/dbraw/zinc/56/70/89/590567089.db2.gz ZITAFRAJADNVQU-DTORHVGOSA-N 1 2 238.291 0.224 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+]2CCn3c(=O)[nH]nc3C2)C1 ZINC000878433331 590567090 /nfs/dbraw/zinc/56/70/90/590567090.db2.gz ZITAFRAJADNVQU-DTORHVGOSA-N 1 2 238.291 0.224 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+]2CCn3c(=O)[nH]nc3C2)C1 ZINC000878433331 590567091 /nfs/dbraw/zinc/56/70/91/590567091.db2.gz ZITAFRAJADNVQU-DTORHVGOSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3c(=O)[nH]ccn23)[C@@H]1C ZINC000878651640 590602072 /nfs/dbraw/zinc/60/20/72/590602072.db2.gz BYBVFAYALAXDFE-HTQZYQBOSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3c(=O)[nH]ccn23)[C@@H]1C ZINC000878651640 590602074 /nfs/dbraw/zinc/60/20/74/590602074.db2.gz BYBVFAYALAXDFE-HTQZYQBOSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3c(=O)n(C)ccn23)[C@@H]1C ZINC000878652446 590602093 /nfs/dbraw/zinc/60/20/93/590602093.db2.gz PMKGLZZMOPLKSY-RKDXNWHRSA-N 1 2 247.302 0.268 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3c(=O)n(C)ccn23)[C@@H]1C ZINC000878652446 590602094 /nfs/dbraw/zinc/60/20/94/590602094.db2.gz PMKGLZZMOPLKSY-RKDXNWHRSA-N 1 2 247.302 0.268 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc3c(=O)n(C)ccn23)[C@H]1C ZINC000878652445 590602652 /nfs/dbraw/zinc/60/26/52/590602652.db2.gz PMKGLZZMOPLKSY-IUCAKERBSA-N 1 2 247.302 0.268 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc3c(=O)n(C)ccn23)[C@H]1C ZINC000878652445 590602653 /nfs/dbraw/zinc/60/26/53/590602653.db2.gz PMKGLZZMOPLKSY-IUCAKERBSA-N 1 2 247.302 0.268 20 0 BCADLO Cn1nnnc1CC[N@@H+]1CCC(=O)CC12CCC2 ZINC000878715702 590614968 /nfs/dbraw/zinc/61/49/68/590614968.db2.gz CBNCOZTVTLJFCK-UHFFFAOYSA-N 1 2 249.318 0.340 20 0 BCADLO Cn1nnnc1CC[N@H+]1CCC(=O)CC12CCC2 ZINC000878715702 590614970 /nfs/dbraw/zinc/61/49/70/590614970.db2.gz CBNCOZTVTLJFCK-UHFFFAOYSA-N 1 2 249.318 0.340 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCn2cnnn2)n1 ZINC000878847125 590633558 /nfs/dbraw/zinc/63/35/58/590633558.db2.gz ZSTSXPRGRWOJST-ZETCQYMHSA-N 1 2 237.267 0.058 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCn2cnnn2)n1 ZINC000878847125 590633563 /nfs/dbraw/zinc/63/35/63/590633563.db2.gz ZSTSXPRGRWOJST-ZETCQYMHSA-N 1 2 237.267 0.058 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878878149 590637275 /nfs/dbraw/zinc/63/72/75/590637275.db2.gz JQMPYJIFMIISNE-JTQLQIEISA-N 1 2 243.332 0.591 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878878149 590637278 /nfs/dbraw/zinc/63/72/78/590637278.db2.gz JQMPYJIFMIISNE-JTQLQIEISA-N 1 2 243.332 0.591 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000878969658 590663426 /nfs/dbraw/zinc/66/34/26/590663426.db2.gz ZMOORQJOOLWCIV-NEPJUHHUSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000878969658 590663429 /nfs/dbraw/zinc/66/34/29/590663429.db2.gz ZMOORQJOOLWCIV-NEPJUHHUSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000878969661 590663516 /nfs/dbraw/zinc/66/35/16/590663516.db2.gz ZMOORQJOOLWCIV-VXGBXAGGSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000878969661 590663519 /nfs/dbraw/zinc/66/35/19/590663519.db2.gz ZMOORQJOOLWCIV-VXGBXAGGSA-N 1 2 238.287 0.420 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H](OC)C1 ZINC000878970573 590664658 /nfs/dbraw/zinc/66/46/58/590664658.db2.gz UJFQIIWSRQNSSK-SNVBAGLBSA-N 1 2 245.319 0.880 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H](OC)C1 ZINC000878970573 590664663 /nfs/dbraw/zinc/66/46/63/590664663.db2.gz UJFQIIWSRQNSSK-SNVBAGLBSA-N 1 2 245.319 0.880 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970292 590664821 /nfs/dbraw/zinc/66/48/21/590664821.db2.gz MVTSWKJQAVKOGY-VHSXEESVSA-N 1 2 241.287 0.387 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970292 590664822 /nfs/dbraw/zinc/66/48/22/590664822.db2.gz MVTSWKJQAVKOGY-VHSXEESVSA-N 1 2 241.287 0.387 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@H](OC)C1)OCC ZINC000878970586 590665364 /nfs/dbraw/zinc/66/53/64/590665364.db2.gz UVDWHUQGNDZLRA-JTQLQIEISA-N 1 2 233.308 0.690 20 0 BCADLO CCOC(C[N@H+]1CCO[C@H](OC)C1)OCC ZINC000878970586 590665369 /nfs/dbraw/zinc/66/53/69/590665369.db2.gz UVDWHUQGNDZLRA-JTQLQIEISA-N 1 2 233.308 0.690 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@@H](OC)C1)OCC ZINC000878970587 590665422 /nfs/dbraw/zinc/66/54/22/590665422.db2.gz UVDWHUQGNDZLRA-SNVBAGLBSA-N 1 2 233.308 0.690 20 0 BCADLO CCOC(C[N@H+]1CCO[C@@H](OC)C1)OCC ZINC000878970587 590665426 /nfs/dbraw/zinc/66/54/26/590665426.db2.gz UVDWHUQGNDZLRA-SNVBAGLBSA-N 1 2 233.308 0.690 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044215 590685899 /nfs/dbraw/zinc/68/58/99/590685899.db2.gz BEYLSVGDJGTICU-APPZFPTMSA-N 1 2 246.282 0.083 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)CC(C)(C)O ZINC000879188479 590710236 /nfs/dbraw/zinc/71/02/36/590710236.db2.gz MNRVDSDZNGWRBU-LLVKDONJSA-N 1 2 241.335 0.672 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)CC(C)(C)O ZINC000879188479 590710239 /nfs/dbraw/zinc/71/02/39/590710239.db2.gz MNRVDSDZNGWRBU-LLVKDONJSA-N 1 2 241.335 0.672 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)COC1CC1 ZINC000879198985 590713507 /nfs/dbraw/zinc/71/35/07/590713507.db2.gz OMMVOJZWFMGJSD-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000879225376 590717482 /nfs/dbraw/zinc/71/74/82/590717482.db2.gz ZOAPNGUBMVHUSF-QMMMGPOBSA-N 1 2 235.287 0.562 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000879225376 590717485 /nfs/dbraw/zinc/71/74/85/590717485.db2.gz ZOAPNGUBMVHUSF-QMMMGPOBSA-N 1 2 235.287 0.562 20 0 BCADLO C/C=C/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000879262556 590724554 /nfs/dbraw/zinc/72/45/54/590724554.db2.gz FTPLQMYMLQDCAF-MQQKCMAXSA-N 1 2 225.288 0.994 20 0 BCADLO CC(C)=CC(=O)OCC[NH+]1CCOCC1 ZINC000879263737 590724943 /nfs/dbraw/zinc/72/49/43/590724943.db2.gz RYXYSZAUERDFMY-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nnnn2C)C1 ZINC000879322811 590738011 /nfs/dbraw/zinc/73/80/11/590738011.db2.gz YBFAHGAELASAQA-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nnnn2C)C1 ZINC000879322811 590738014 /nfs/dbraw/zinc/73/80/14/590738014.db2.gz YBFAHGAELASAQA-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO NC(=O)[C@H](C1CC1)[N@@H+](Cc1cnc[nH]1)CC1CC1 ZINC000879485539 590780483 /nfs/dbraw/zinc/78/04/83/590780483.db2.gz GDPRZJDWCCBWRD-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO NC(=O)[C@H](C1CC1)[N@H+](Cc1cnc[nH]1)CC1CC1 ZINC000879485539 590780486 /nfs/dbraw/zinc/78/04/86/590780486.db2.gz GDPRZJDWCCBWRD-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566144 590806597 /nfs/dbraw/zinc/80/65/97/590806597.db2.gz SHLYUPDGEMNFQD-BDAKNGLRSA-N 1 2 224.333 0.990 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566144 590806601 /nfs/dbraw/zinc/80/66/01/590806601.db2.gz SHLYUPDGEMNFQD-BDAKNGLRSA-N 1 2 224.333 0.990 20 0 BCADLO C[N@@H+]1CC[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]21 ZINC000879581992 590820075 /nfs/dbraw/zinc/82/00/75/590820075.db2.gz PECXDFKJPWVXQS-IUCAKERBSA-N 1 2 237.307 0.036 20 0 BCADLO C[N@H+]1CC[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]21 ZINC000879581992 590820079 /nfs/dbraw/zinc/82/00/79/590820079.db2.gz PECXDFKJPWVXQS-IUCAKERBSA-N 1 2 237.307 0.036 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2ccnn2C)C1=O ZINC000879686762 590848480 /nfs/dbraw/zinc/84/84/80/590848480.db2.gz ILWCBYYULHBTAG-RKDXNWHRSA-N 1 2 238.291 0.233 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2ccnn2C)C1=O ZINC000879686761 590848755 /nfs/dbraw/zinc/84/87/55/590848755.db2.gz ILWCBYYULHBTAG-IUCAKERBSA-N 1 2 238.291 0.233 20 0 BCADLO CC(=O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879938469 590892334 /nfs/dbraw/zinc/89/23/34/590892334.db2.gz HPYKXJSEHUCDBW-HNNXBMFYSA-N 1 2 233.337 0.175 20 0 BCADLO C[S@](=N)(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000879946784 590892442 /nfs/dbraw/zinc/89/24/42/590892442.db2.gz GJDYXYBCZAWKML-MRXNPFEDSA-N 1 2 243.336 0.119 20 0 BCADLO C[S@](=N)(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000879946784 590892444 /nfs/dbraw/zinc/89/24/44/590892444.db2.gz GJDYXYBCZAWKML-MRXNPFEDSA-N 1 2 243.336 0.119 20 0 BCADLO FC(F)[C@H]1C[N@H+](C[C@H]2COCCO2)CCO1 ZINC000879948139 590895287 /nfs/dbraw/zinc/89/52/87/590895287.db2.gz VGFQHWGRTATHMT-DTWKUNHWSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)[C@H]1C[N@@H+](C[C@H]2COCCO2)CCO1 ZINC000879948139 590895290 /nfs/dbraw/zinc/89/52/90/590895290.db2.gz VGFQHWGRTATHMT-DTWKUNHWSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)[C@H]1C[N@H+](C[C@@H]2COCCO2)CCO1 ZINC000879948141 590895879 /nfs/dbraw/zinc/89/58/79/590895879.db2.gz VGFQHWGRTATHMT-RKDXNWHRSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)[C@H]1C[N@@H+](C[C@@H]2COCCO2)CCO1 ZINC000879948141 590895883 /nfs/dbraw/zinc/89/58/83/590895883.db2.gz VGFQHWGRTATHMT-RKDXNWHRSA-N 1 2 237.246 0.368 20 0 BCADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCS(C)(=O)=O ZINC000880130268 590931220 /nfs/dbraw/zinc/93/12/20/590931220.db2.gz NYBSKJDLYHOFCH-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCS(C)(=O)=O ZINC000880130268 590931223 /nfs/dbraw/zinc/93/12/23/590931223.db2.gz NYBSKJDLYHOFCH-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO CCC(CC)C[N@@H+]1CC(=O)NCC12COC2 ZINC000880163800 590948075 /nfs/dbraw/zinc/94/80/75/590948075.db2.gz ZODYPQIDADHBST-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CCC(CC)C[N@H+]1CC(=O)NCC12COC2 ZINC000880163800 590948076 /nfs/dbraw/zinc/94/80/76/590948076.db2.gz ZODYPQIDADHBST-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)(C)CC[N@@H+]1CC(=O)NCC12COC2 ZINC000880161293 590948130 /nfs/dbraw/zinc/94/81/30/590948130.db2.gz CXJCBDCCNZFREG-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)(C)CC[N@H+]1CC(=O)NCC12COC2 ZINC000880161293 590948132 /nfs/dbraw/zinc/94/81/32/590948132.db2.gz CXJCBDCCNZFREG-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO O=C1CC2(CCC2)[N@H+](CCc2cnn[nH]2)CCN1 ZINC000880168538 590949146 /nfs/dbraw/zinc/94/91/46/590949146.db2.gz PEPJBMITJHCATN-UHFFFAOYSA-N 1 2 249.318 0.092 20 0 BCADLO O=C1CC2(CCC2)[N@@H+](CCc2cnn[nH]2)CCN1 ZINC000880168538 590949149 /nfs/dbraw/zinc/94/91/49/590949149.db2.gz PEPJBMITJHCATN-UHFFFAOYSA-N 1 2 249.318 0.092 20 0 BCADLO Cn1cnc(C[N@@H+]2CCNC(=O)CC23CCC3)c1 ZINC000880168866 590949315 /nfs/dbraw/zinc/94/93/15/590949315.db2.gz WHUQSSASRZCTJP-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO Cn1cnc(C[N@H+]2CCNC(=O)CC23CCC3)c1 ZINC000880168866 590949318 /nfs/dbraw/zinc/94/93/18/590949318.db2.gz WHUQSSASRZCTJP-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880237627 590967801 /nfs/dbraw/zinc/96/78/01/590967801.db2.gz YURDDPKMBYTJMU-QMMMGPOBSA-N 1 2 213.260 0.392 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880237627 590967803 /nfs/dbraw/zinc/96/78/03/590967803.db2.gz YURDDPKMBYTJMU-QMMMGPOBSA-N 1 2 213.260 0.392 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880237444 590968766 /nfs/dbraw/zinc/96/87/66/590968766.db2.gz WNMBOHNMOSIYHX-ZETCQYMHSA-N 1 2 214.244 0.692 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880237444 590968767 /nfs/dbraw/zinc/96/87/67/590968767.db2.gz WNMBOHNMOSIYHX-ZETCQYMHSA-N 1 2 214.244 0.692 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)COC2CC2)c1 ZINC000880266002 590980300 /nfs/dbraw/zinc/98/03/00/590980300.db2.gz QIYFQGQDHIFROS-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880302820 590998964 /nfs/dbraw/zinc/99/89/64/590998964.db2.gz KFHACYPPHGCJDR-MRVPVSSYSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880302820 590998968 /nfs/dbraw/zinc/99/89/68/590998968.db2.gz KFHACYPPHGCJDR-MRVPVSSYSA-N 1 2 240.225 0.386 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H](C)O)C1CCOCC1 ZINC000880339741 591008061 /nfs/dbraw/zinc/00/80/61/591008061.db2.gz DJECWGRHMVSAIF-GXSJLCMTSA-N 1 2 245.319 0.315 20 0 BCADLO O=C1CC[N@@H+](C/C=C/Cl)C2(COC2)CN1 ZINC000880398701 591021356 /nfs/dbraw/zinc/02/13/56/591021356.db2.gz SAGACTDMRDCMCD-HNQUOIGGSA-N 1 2 230.695 0.330 20 0 BCADLO O=C1CC[N@H+](C/C=C/Cl)C2(COC2)CN1 ZINC000880398701 591021359 /nfs/dbraw/zinc/02/13/59/591021359.db2.gz SAGACTDMRDCMCD-HNQUOIGGSA-N 1 2 230.695 0.330 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417284 591026123 /nfs/dbraw/zinc/02/61/23/591026123.db2.gz KKVXRAGHIAPYJP-HOSYDEDBSA-N 1 2 227.304 0.785 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417284 591026128 /nfs/dbraw/zinc/02/61/28/591026128.db2.gz KKVXRAGHIAPYJP-HOSYDEDBSA-N 1 2 227.304 0.785 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000880419209 591027842 /nfs/dbraw/zinc/02/78/42/591027842.db2.gz VFDVXHUBHPTIQG-MWLCHTKSSA-N 1 2 205.261 0.352 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000880419209 591027845 /nfs/dbraw/zinc/02/78/45/591027845.db2.gz VFDVXHUBHPTIQG-MWLCHTKSSA-N 1 2 205.261 0.352 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1noc(C)n1 ZINC000880426331 591033389 /nfs/dbraw/zinc/03/33/89/591033389.db2.gz SQRQSOMKIRAXMC-ZJUUUORDSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1noc(C)n1 ZINC000880426331 591033393 /nfs/dbraw/zinc/03/33/93/591033393.db2.gz SQRQSOMKIRAXMC-ZJUUUORDSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cnon1 ZINC000880435043 591036780 /nfs/dbraw/zinc/03/67/80/591036780.db2.gz IGZGCJSJSHESLX-VHSXEESVSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cnon1 ZINC000880435043 591036784 /nfs/dbraw/zinc/03/67/84/591036784.db2.gz IGZGCJSJSHESLX-VHSXEESVSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1csnn1 ZINC000880437660 591039713 /nfs/dbraw/zinc/03/97/13/591039713.db2.gz OUYXKPJDZHCNEI-UWVGGRQHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1csnn1 ZINC000880437660 591039717 /nfs/dbraw/zinc/03/97/17/591039717.db2.gz OUYXKPJDZHCNEI-UWVGGRQHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000880437324 591040254 /nfs/dbraw/zinc/04/02/54/591040254.db2.gz JFUYGLQMPBRQOM-WDEREUQCSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000880437324 591040258 /nfs/dbraw/zinc/04/02/58/591040258.db2.gz JFUYGLQMPBRQOM-WDEREUQCSA-N 1 2 240.307 0.051 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)Nc1ccon1 ZINC000880440839 591041862 /nfs/dbraw/zinc/04/18/62/591041862.db2.gz KPRQWRXHWIYEEF-RKDXNWHRSA-N 1 2 239.275 0.458 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)Nc1ccon1 ZINC000880440839 591041863 /nfs/dbraw/zinc/04/18/63/591041863.db2.gz KPRQWRXHWIYEEF-RKDXNWHRSA-N 1 2 239.275 0.458 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880485710 591057925 /nfs/dbraw/zinc/05/79/25/591057925.db2.gz JXDAAHWNEDOSKD-SNVBAGLBSA-N 1 2 213.277 0.562 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880485710 591057926 /nfs/dbraw/zinc/05/79/26/591057926.db2.gz JXDAAHWNEDOSKD-SNVBAGLBSA-N 1 2 213.277 0.562 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC=C[C@H]1CO ZINC000880485312 591058740 /nfs/dbraw/zinc/05/87/40/591058740.db2.gz BTVJOXMUXPOKLX-MNOVXSKESA-N 1 2 227.304 0.951 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC=C[C@H]1CO ZINC000880485312 591058745 /nfs/dbraw/zinc/05/87/45/591058745.db2.gz BTVJOXMUXPOKLX-MNOVXSKESA-N 1 2 227.304 0.951 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC=C[C@@H]2CO)o1 ZINC000880486563 591060638 /nfs/dbraw/zinc/06/06/38/591060638.db2.gz PCOJFXJBGJBAGV-SECBINFHSA-N 1 2 223.276 0.926 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC=C[C@@H]2CO)o1 ZINC000880486563 591060642 /nfs/dbraw/zinc/06/06/42/591060642.db2.gz PCOJFXJBGJBAGV-SECBINFHSA-N 1 2 223.276 0.926 20 0 BCADLO CCc1cnc(C[N@@H+]2CC=C[C@@H]2CO)o1 ZINC000880486971 591063041 /nfs/dbraw/zinc/06/30/41/591063041.db2.gz SFJPCZNCCXYCNN-SECBINFHSA-N 1 2 208.261 0.970 20 0 BCADLO CCc1cnc(C[N@H+]2CC=C[C@@H]2CO)o1 ZINC000880486971 591063044 /nfs/dbraw/zinc/06/30/44/591063044.db2.gz SFJPCZNCCXYCNN-SECBINFHSA-N 1 2 208.261 0.970 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880487062 591063339 /nfs/dbraw/zinc/06/33/39/591063339.db2.gz HQLFCNIRBCHXDC-SNVBAGLBSA-N 1 2 220.272 0.441 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880487062 591063344 /nfs/dbraw/zinc/06/33/44/591063344.db2.gz HQLFCNIRBCHXDC-SNVBAGLBSA-N 1 2 220.272 0.441 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880491825 591068623 /nfs/dbraw/zinc/06/86/23/591068623.db2.gz MENWSMIOKGSVLY-SNVBAGLBSA-N 1 2 222.292 0.339 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880491825 591068617 /nfs/dbraw/zinc/06/86/17/591068617.db2.gz MENWSMIOKGSVLY-SNVBAGLBSA-N 1 2 222.292 0.339 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cccc(F)n1 ZINC000880491422 591069145 /nfs/dbraw/zinc/06/91/45/591069145.db2.gz JDPFJRAQLACUQY-JTQLQIEISA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cccc(F)n1 ZINC000880491422 591069150 /nfs/dbraw/zinc/06/91/50/591069150.db2.gz JDPFJRAQLACUQY-JTQLQIEISA-N 1 2 208.236 0.953 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880491824 591069657 /nfs/dbraw/zinc/06/96/57/591069657.db2.gz MENWSMIOKGSVLY-JTQLQIEISA-N 1 2 222.292 0.339 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880491824 591069662 /nfs/dbraw/zinc/06/96/62/591069662.db2.gz MENWSMIOKGSVLY-JTQLQIEISA-N 1 2 222.292 0.339 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880501919 591076786 /nfs/dbraw/zinc/07/67/86/591076786.db2.gz HWUJAUNHBJHBDX-KOLCDFICSA-N 1 2 213.277 0.851 20 0 BCADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cscn2)C1 ZINC000880558441 591089360 /nfs/dbraw/zinc/08/93/60/591089360.db2.gz SJIFKDUZHJSHAE-JTQLQIEISA-N 1 2 242.300 0.253 20 0 BCADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cscn2)C1 ZINC000880558441 591089364 /nfs/dbraw/zinc/08/93/64/591089364.db2.gz SJIFKDUZHJSHAE-JTQLQIEISA-N 1 2 242.300 0.253 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N1CCC1 ZINC000880588065 591101018 /nfs/dbraw/zinc/10/10/18/591101018.db2.gz PGIANOJECUABLB-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N1CCC1 ZINC000880588065 591101021 /nfs/dbraw/zinc/10/10/21/591101021.db2.gz PGIANOJECUABLB-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO CON(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000880647144 591118194 /nfs/dbraw/zinc/11/81/94/591118194.db2.gz MTPQCRMLIVWGHV-SNVBAGLBSA-N 1 2 240.307 0.444 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC1CSC1 ZINC000880731834 591131645 /nfs/dbraw/zinc/13/16/45/591131645.db2.gz RFYKXZVWQINRLP-UHFFFAOYSA-N 1 2 211.290 0.574 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC1CSC1 ZINC000880731834 591131648 /nfs/dbraw/zinc/13/16/48/591131648.db2.gz RFYKXZVWQINRLP-UHFFFAOYSA-N 1 2 211.290 0.574 20 0 BCADLO CCCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880809800 591143658 /nfs/dbraw/zinc/14/36/58/591143658.db2.gz IFXCSKCAZIWWJF-UHFFFAOYSA-N 1 2 237.307 0.860 20 0 BCADLO CCCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880809800 591143660 /nfs/dbraw/zinc/14/36/60/591143660.db2.gz IFXCSKCAZIWWJF-UHFFFAOYSA-N 1 2 237.307 0.860 20 0 BCADLO CN(C)c1cc(Cn2cc(CON)nn2)cc[nH+]1 ZINC000881365679 591195906 /nfs/dbraw/zinc/19/59/06/591195906.db2.gz JGEIAXAFQOQYBG-UHFFFAOYSA-N 1 2 248.290 0.178 20 0 BCADLO CN(C)c1cc(Cn2cc(CCO)nn2)cc[nH+]1 ZINC000881365382 591196424 /nfs/dbraw/zinc/19/64/24/591196424.db2.gz CZMBPCXNLMFXFU-UHFFFAOYSA-N 1 2 247.302 0.322 20 0 BCADLO Cc1oncc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000129050957 591225415 /nfs/dbraw/zinc/22/54/15/591225415.db2.gz KSIFODRZUPVDFF-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1oncc1C[N@H+]1CCC2(C1)OCCO2 ZINC000129050957 591225418 /nfs/dbraw/zinc/22/54/18/591225418.db2.gz KSIFODRZUPVDFF-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(F)CC1 ZINC000881612371 591257413 /nfs/dbraw/zinc/25/74/13/591257413.db2.gz JSYIFYVRCDTRHA-LLVKDONJSA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(F)CC1 ZINC000881612371 591257416 /nfs/dbraw/zinc/25/74/16/591257416.db2.gz JSYIFYVRCDTRHA-LLVKDONJSA-N 1 2 244.310 0.668 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CF)C1 ZINC000881673430 591263565 /nfs/dbraw/zinc/26/35/65/591263565.db2.gz GWNBKJMGCZESOX-VIFPVBQESA-N 1 2 225.267 0.781 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C1CCC1 ZINC000881790028 591270913 /nfs/dbraw/zinc/27/09/13/591270913.db2.gz IKFQUNMDFBRALF-VIFPVBQESA-N 1 2 243.332 0.744 20 0 BCADLO Cc1[nH+]cnc(NC[C@H]2COCCO2)c1C ZINC000881830700 591273865 /nfs/dbraw/zinc/27/38/65/591273865.db2.gz GPRFGYKACJFLJV-JTQLQIEISA-N 1 2 223.276 0.921 20 0 BCADLO Cc1[nH+]cnc(N(C)CCS(C)(=O)=O)c1C ZINC000881911865 591278166 /nfs/dbraw/zinc/27/81/66/591278166.db2.gz DPTXWZRXLARBSL-UHFFFAOYSA-N 1 2 243.332 0.574 20 0 BCADLO Cc1ncnc(NC[C@@H]2CN(C)CC[N@@H+]2C)c1C ZINC000881966736 591284820 /nfs/dbraw/zinc/28/48/20/591284820.db2.gz JIDRCFNLRNRHEY-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1ncnc(NC[C@@H]2CN(C)CC[N@H+]2C)c1C ZINC000881966736 591284821 /nfs/dbraw/zinc/28/48/21/591284821.db2.gz JIDRCFNLRNRHEY-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1[nH+]cnc(NCCNC(N)=O)c1C ZINC000881989105 591286044 /nfs/dbraw/zinc/28/60/44/591286044.db2.gz YASQPNRQQHRBQT-UHFFFAOYSA-N 1 2 209.253 0.174 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@H](CO)C2)c1C ZINC000882005747 591287233 /nfs/dbraw/zinc/28/72/33/591287233.db2.gz QNQCETUJLXSHRB-SNVBAGLBSA-N 1 2 207.277 0.912 20 0 BCADLO Cn1cc([C@@H](O)CNc2cc(CO)cc[nH+]2)cn1 ZINC000882018987 591288412 /nfs/dbraw/zinc/28/84/12/591288412.db2.gz JIPBZCZNGKJTPQ-NSHDSACASA-N 1 2 248.286 0.453 20 0 BCADLO Cc1nnc(SCc2cn(C)c[nH+]2)n1N ZINC000882038818 591290734 /nfs/dbraw/zinc/29/07/34/591290734.db2.gz MKZLQPVOEFAMOZ-UHFFFAOYSA-N 1 2 224.293 0.326 20 0 BCADLO Cc1[nH+]cnc(NCCn2ncnn2)c1C ZINC000882090616 591295652 /nfs/dbraw/zinc/29/56/52/591295652.db2.gz RYVVBMVXYWEDMK-UHFFFAOYSA-N 1 2 219.252 0.192 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](C)S(N)(=O)=O)c1C ZINC000882148697 591305956 /nfs/dbraw/zinc/30/59/56/591305956.db2.gz GMKIQIDIONGXHT-LURJTMIESA-N 1 2 244.320 0.182 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CCC2)[C@@H](C)C1 ZINC000882189461 591312909 /nfs/dbraw/zinc/31/29/09/591312909.db2.gz PSXNXEPAUYAALH-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CCC2)[C@@H](C)C1 ZINC000882189461 591312911 /nfs/dbraw/zinc/31/29/11/591312911.db2.gz PSXNXEPAUYAALH-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO COC(=O)[C@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000882195338 591313904 /nfs/dbraw/zinc/31/39/04/591313904.db2.gz YAVSGMGFFJRNFC-LLVKDONJSA-N 1 2 239.275 0.429 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CCC2)C[C@H](C)[N@H+]1C ZINC000882222277 591317592 /nfs/dbraw/zinc/31/75/92/591317592.db2.gz IDCYPWMDOCVBIK-AOOOYVTPSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CCC2)C[C@H](C)[N@@H+]1C ZINC000882222277 591317593 /nfs/dbraw/zinc/31/75/93/591317593.db2.gz IDCYPWMDOCVBIK-AOOOYVTPSA-N 1 2 246.376 0.893 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@]3(CNC(=O)C3)C2)c1C ZINC000882279758 591325424 /nfs/dbraw/zinc/32/54/24/591325424.db2.gz VZCHLOIOUSKVBL-CYBMUJFWSA-N 1 2 246.314 0.810 20 0 BCADLO Cc1[nH+]cnc(N(C)CCOCCO)c1C ZINC000882317797 591330091 /nfs/dbraw/zinc/33/00/91/591330091.db2.gz WVJZCFWLDYXNOS-UHFFFAOYSA-N 1 2 225.292 0.539 20 0 BCADLO Cc1[nH+]cnc(NCc2cnnn2C)c1C ZINC000882376416 591340521 /nfs/dbraw/zinc/34/05/21/591340521.db2.gz CDSWUMWXQDYTIM-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO Cc1[nH+]cnc(N2C[C@H]3[C@H](CO)[C@H]3C2)c1C ZINC000882392630 591342042 /nfs/dbraw/zinc/34/20/42/591342042.db2.gz ORFKUEOAYITNSK-URLYPYJESA-N 1 2 219.288 0.768 20 0 BCADLO Cc1[nH+]cnc(N2CC(C)(CO)C2)c1C ZINC000882422740 591345965 /nfs/dbraw/zinc/34/59/65/591345965.db2.gz CVMWVIHLLKGVEP-UHFFFAOYSA-N 1 2 207.277 0.912 20 0 BCADLO COC(=O)NCCNc1nc[nH+]c(C)c1C ZINC000882431249 591348038 /nfs/dbraw/zinc/34/80/38/591348038.db2.gz LLRDRDDZZDISRV-UHFFFAOYSA-N 1 2 224.264 0.861 20 0 BCADLO CON(C)C(=O)CNc1cc[nH+]cc1F ZINC000882473668 591354903 /nfs/dbraw/zinc/35/49/03/591354903.db2.gz VIBGLPSDKKKQPQ-UHFFFAOYSA-N 1 2 213.212 0.074 20 0 BCADLO Cc1[nH+]cnc(NCCn2cnnn2)c1C ZINC000882518669 591381604 /nfs/dbraw/zinc/38/16/04/591381604.db2.gz FYNCFMCOVBBUJD-UHFFFAOYSA-N 1 2 219.252 0.192 20 0 BCADLO CCON(C)C(=O)CNc1cc[nH+]cc1F ZINC000882528844 591381702 /nfs/dbraw/zinc/38/17/02/591381702.db2.gz ILTTUQURMRPTMK-UHFFFAOYSA-N 1 2 227.239 0.464 20 0 BCADLO CCON(C)C(=O)CNc1nc[nH+]c(C)c1C ZINC000882528827 591382157 /nfs/dbraw/zinc/38/21/57/591382157.db2.gz HXRHRWWOLVOQNN-UHFFFAOYSA-N 1 2 238.291 0.915 20 0 BCADLO Cc1ncnc(NC[C@@H]2COCC[N@H+]2C)c1C ZINC000882659040 591408305 /nfs/dbraw/zinc/40/83/05/591408305.db2.gz NSUMTLAZVWAXBM-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1ncnc(NC[C@@H]2COCC[N@@H+]2C)c1C ZINC000882659040 591408308 /nfs/dbraw/zinc/40/83/08/591408308.db2.gz NSUMTLAZVWAXBM-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](O)[C@@H](C)O)c1C ZINC000882688338 591411459 /nfs/dbraw/zinc/41/14/59/591411459.db2.gz GKQVDRJRYGPPBO-BDAKNGLRSA-N 1 2 211.265 0.247 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](O)[C@H](C)O)c1C ZINC000882688339 591411516 /nfs/dbraw/zinc/41/15/16/591411516.db2.gz GKQVDRJRYGPPBO-DTWKUNHWSA-N 1 2 211.265 0.247 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](O)[C@@H](C)O)c1C ZINC000882688341 591411677 /nfs/dbraw/zinc/41/16/77/591411677.db2.gz GKQVDRJRYGPPBO-RKDXNWHRSA-N 1 2 211.265 0.247 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+](CC)CC(=O)NC ZINC000129841902 591413708 /nfs/dbraw/zinc/41/37/08/591413708.db2.gz NYYGEZZGCKZFAV-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+](CC)CC(=O)NC ZINC000129841902 591413711 /nfs/dbraw/zinc/41/37/11/591413711.db2.gz NYYGEZZGCKZFAV-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO C[C@@H](O)c1ccc(N(C)CC(=O)N(C)C)[nH+]c1 ZINC000213224870 591456023 /nfs/dbraw/zinc/45/60/23/591456023.db2.gz XYPPVEZDOLKGCA-SECBINFHSA-N 1 2 237.303 0.659 20 0 BCADLO C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C)[nH+]c1 ZINC000213268455 591457628 /nfs/dbraw/zinc/45/76/28/591457628.db2.gz VFBLNWZJMDACNX-IUCAKERBSA-N 1 2 235.287 0.460 20 0 BCADLO C[C@H](O)c1ccc(N2CCCNC(=O)C2)[nH+]c1 ZINC000213304130 591460786 /nfs/dbraw/zinc/46/07/86/591460786.db2.gz OVIHVKFWWPUYFH-VIFPVBQESA-N 1 2 235.287 0.461 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCC[C@@H](O)C(C)C ZINC000882981410 591491376 /nfs/dbraw/zinc/49/13/76/591491376.db2.gz KSBDKCBFYWAFJY-DTWKUNHWSA-N 1 2 218.297 0.927 20 0 BCADLO CC1CC[NH+](Cn2nc3cnccn3c2=O)CC1 ZINC000130709140 591503257 /nfs/dbraw/zinc/50/32/57/591503257.db2.gz DTPBQUYHHIXXRB-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO CCOC1CC(CO[NH+]=C(N)CO)C1 ZINC000883012958 591505820 /nfs/dbraw/zinc/50/58/20/591505820.db2.gz ZUSJSIANRPPMCT-UHFFFAOYSA-N 1 2 202.254 0.292 20 0 BCADLO NC(CO)=[NH+]OCCC1CCOCC1 ZINC000883012510 591506478 /nfs/dbraw/zinc/50/64/78/591506478.db2.gz JCHKRMASJACFBC-UHFFFAOYSA-N 1 2 202.254 0.294 20 0 BCADLO NC(CO)=[NH+]OCc1ccc2c(c1)OCCO2 ZINC000883010328 591510535 /nfs/dbraw/zinc/51/05/35/591510535.db2.gz LVPAFGQUJXQFNK-UHFFFAOYSA-N 1 2 238.243 0.449 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011045 591510975 /nfs/dbraw/zinc/51/09/75/591510975.db2.gz IPZQHDYWPCCATG-JGVFFNPUSA-N 1 2 231.296 0.170 20 0 BCADLO CCOc1cccc(CO[NH+]=C(N)CO)n1 ZINC000883011680 591511461 /nfs/dbraw/zinc/51/14/61/591511461.db2.gz FYLORPISABKVHH-UHFFFAOYSA-N 1 2 225.248 0.471 20 0 BCADLO COc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883012895 591512190 /nfs/dbraw/zinc/51/21/90/591512190.db2.gz XEBLDSVMVFZVHE-UHFFFAOYSA-N 1 2 210.233 0.686 20 0 BCADLO C[C@@H]1C[C@H](CO[NH+]=C(N)CO)CCO1 ZINC000883012905 591512830 /nfs/dbraw/zinc/51/28/30/591512830.db2.gz XMLVWXHDMHPLSH-HTQZYQBOSA-N 1 2 202.254 0.292 20 0 BCADLO CO[C@@H](CO[NH+]=C(N)CO)CC(C)C ZINC000883012327 591513070 /nfs/dbraw/zinc/51/30/70/591513070.db2.gz BQNHVYLSRCFEBT-MRVPVSSYSA-N 1 2 204.270 0.538 20 0 BCADLO CC(C)[C@H](O[NH+]=C(N)CO)C(=O)N1CCCC1 ZINC000883012707 591513186 /nfs/dbraw/zinc/51/31/86/591513186.db2.gz PJERZSYNYTYXJZ-JTQLQIEISA-N 1 2 243.307 0.124 20 0 BCADLO NC(CO)=[NH+]OCCCOC(F)(F)F ZINC000883013066 591514517 /nfs/dbraw/zinc/51/45/17/591514517.db2.gz CUFVSRYJTYVAII-UHFFFAOYSA-N 1 2 216.159 0.404 20 0 BCADLO NC(=[NH+]O[C@@H]1CCNC1=O)c1ccccc1 ZINC000883048319 591527881 /nfs/dbraw/zinc/52/78/81/591527881.db2.gz MJOGXJMZBDGYLJ-SECBINFHSA-N 1 2 219.244 0.422 20 0 BCADLO CN1CC[C@@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883048679 591527899 /nfs/dbraw/zinc/52/78/99/591527899.db2.gz TXELCFZVTGZGAO-SNVBAGLBSA-N 1 2 233.271 0.764 20 0 BCADLO CCCC[N@H+](C)Cn1nc2cnccn2c1=O ZINC000131011919 591542123 /nfs/dbraw/zinc/54/21/23/591542123.db2.gz LVSCUIDKBDXUGP-UHFFFAOYSA-N 1 2 235.291 0.580 20 0 BCADLO CCCC[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000131011919 591542124 /nfs/dbraw/zinc/54/21/24/591542124.db2.gz LVSCUIDKBDXUGP-UHFFFAOYSA-N 1 2 235.291 0.580 20 0 BCADLO Cn1cc(NCc2cn(C3CC3)c[nH+]2)nn1 ZINC000883144856 591551294 /nfs/dbraw/zinc/55/12/94/591551294.db2.gz CXXQYDMRRHXLQI-UHFFFAOYSA-N 1 2 218.264 0.959 20 0 BCADLO Cn1cnn(C[N@H+](C2CC2)C2CCCC2)c1=O ZINC000131114021 591554595 /nfs/dbraw/zinc/55/45/95/591554595.db2.gz YAXYASCICWVVKQ-UHFFFAOYSA-N 1 2 236.319 0.946 20 0 BCADLO Cn1cnn(C[N@@H+](C2CC2)C2CCCC2)c1=O ZINC000131114021 591554596 /nfs/dbraw/zinc/55/45/96/591554596.db2.gz YAXYASCICWVVKQ-UHFFFAOYSA-N 1 2 236.319 0.946 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+][C@H]2CCNC2=O)n1 ZINC000883164576 591556780 /nfs/dbraw/zinc/55/67/80/591556780.db2.gz JQJNFTDBQIAOGH-QMMMGPOBSA-N 1 2 222.292 0.511 20 0 BCADLO Cc1nonc1C[NH2+]Cc1ccncc1N ZINC000883203827 591571687 /nfs/dbraw/zinc/57/16/87/591571687.db2.gz MFVFOMGDFKWQES-UHFFFAOYSA-N 1 2 219.248 0.645 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNCc1ccc(C)nn1 ZINC000883359163 591628957 /nfs/dbraw/zinc/62/89/57/591628957.db2.gz ZIXUHAREODGNGC-LBPRGKRZSA-N 1 2 220.320 0.969 20 0 BCADLO CC[N@H+]1CC[C@H]1CNCc1ccc(C)nn1 ZINC000883359163 591628959 /nfs/dbraw/zinc/62/89/59/591628959.db2.gz ZIXUHAREODGNGC-LBPRGKRZSA-N 1 2 220.320 0.969 20 0 BCADLO CC[N@H+](CC1CC1)Cn1nc2cnccn2c1=O ZINC000132665996 591728269 /nfs/dbraw/zinc/72/82/69/591728269.db2.gz PXHBXGZEXONRNP-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1nc2cnccn2c1=O ZINC000132665996 591728274 /nfs/dbraw/zinc/72/82/74/591728274.db2.gz PXHBXGZEXONRNP-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000889330414 591764960 /nfs/dbraw/zinc/76/49/60/591764960.db2.gz ADICNBALUPWNKE-DTWKUNHWSA-N 1 2 223.276 0.588 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000889334463 591774379 /nfs/dbraw/zinc/77/43/79/591774379.db2.gz OUTLCWYYYHHHGT-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000889334464 591775072 /nfs/dbraw/zinc/77/50/72/591775072.db2.gz OUTLCWYYYHHHGT-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)nn1 ZINC000883998528 591789428 /nfs/dbraw/zinc/78/94/28/591789428.db2.gz YWTLZIBYLVHROC-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H](C(=O)OC)C2)nn1 ZINC000883998528 591789435 /nfs/dbraw/zinc/78/94/35/591789435.db2.gz YWTLZIBYLVHROC-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc2cnccn2c1=O ZINC000133420615 591791518 /nfs/dbraw/zinc/79/15/18/591791518.db2.gz DEIVKUHXONCRFM-VHSXEESVSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc2cnccn2c1=O ZINC000133420615 591791521 /nfs/dbraw/zinc/79/15/21/591791521.db2.gz DEIVKUHXONCRFM-VHSXEESVSA-N 1 2 247.302 0.579 20 0 BCADLO CCn1cc(C[N@H+](C)CC[C@@H](C)O)nn1 ZINC000884002346 591792033 /nfs/dbraw/zinc/79/20/33/591792033.db2.gz CHEHZGAZXKBZPX-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1cc(C[N@@H+](C)CC[C@@H](C)O)nn1 ZINC000884002346 591792036 /nfs/dbraw/zinc/79/20/36/591792036.db2.gz CHEHZGAZXKBZPX-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000884007852 591795509 /nfs/dbraw/zinc/79/55/09/591795509.db2.gz RDDRYYODQZHWHX-BXKDBHETSA-N 1 2 248.330 0.507 20 0 BCADLO CC(=O)CCC(=O)OCC[NH+]1CCSCC1 ZINC000800095476 591821669 /nfs/dbraw/zinc/82/16/69/591821669.db2.gz KTTLOWVJYKQETR-UHFFFAOYSA-N 1 2 245.344 0.948 20 0 BCADLO COCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800140865 591826843 /nfs/dbraw/zinc/82/68/43/591826843.db2.gz XEKIGPICTHTNLL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800140865 591826846 /nfs/dbraw/zinc/82/68/46/591826846.db2.gz XEKIGPICTHTNLL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)c2cc[nH]n2)CCO1 ZINC000800134111 591826953 /nfs/dbraw/zinc/82/69/53/591826953.db2.gz BZECCUIUKWTTIL-SECBINFHSA-N 1 2 239.275 0.287 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)c2cc[nH]n2)CCO1 ZINC000800134111 591826958 /nfs/dbraw/zinc/82/69/58/591826958.db2.gz BZECCUIUKWTTIL-SECBINFHSA-N 1 2 239.275 0.287 20 0 BCADLO CC(C)OCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800151804 591827841 /nfs/dbraw/zinc/82/78/41/591827841.db2.gz NMDBZHDTXLUTOH-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)OCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800151804 591827842 /nfs/dbraw/zinc/82/78/42/591827842.db2.gz NMDBZHDTXLUTOH-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CCOC2)CCO1 ZINC000800152112 591828468 /nfs/dbraw/zinc/82/84/68/591828468.db2.gz SVPPKMZQZPSWSW-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CCOC2)CCO1 ZINC000800152112 591828469 /nfs/dbraw/zinc/82/84/69/591828469.db2.gz SVPPKMZQZPSWSW-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)C1(O)C[NH+](CCn2ccccc2=O)C1 ZINC000215419050 591947809 /nfs/dbraw/zinc/94/78/09/591947809.db2.gz GQLOUGLWPGJYNU-UHFFFAOYSA-N 1 2 236.315 0.551 20 0 BCADLO CCc1nc(N2CC[C@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000884490262 591955128 /nfs/dbraw/zinc/95/51/28/591955128.db2.gz RSGAJLMRKCHIRE-ZDUSSCGKSA-N 1 2 246.314 0.755 20 0 BCADLO CCc1nc(N[C@@H](CO)COC)cc[nH+]1 ZINC000884493692 591955971 /nfs/dbraw/zinc/95/59/71/591955971.db2.gz ANPBEXKBVXCVBW-QMMMGPOBSA-N 1 2 211.265 0.458 20 0 BCADLO CCc1nc(N[C@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000884496581 591956576 /nfs/dbraw/zinc/95/65/76/591956576.db2.gz AGKSHLYQBYXENS-GZMMTYOYSA-N 1 2 234.303 0.976 20 0 BCADLO CCn1cc(C[N@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000884499165 591958306 /nfs/dbraw/zinc/95/83/06/591958306.db2.gz WXFJWUOBKMTFMN-UHFFFAOYSA-N 1 2 239.323 0.384 20 0 BCADLO CCn1cc(C[N@@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000884499165 591958309 /nfs/dbraw/zinc/95/83/09/591958309.db2.gz WXFJWUOBKMTFMN-UHFFFAOYSA-N 1 2 239.323 0.384 20 0 BCADLO CCc1nc(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc[nH+]1 ZINC000884513605 591962444 /nfs/dbraw/zinc/96/24/44/591962444.db2.gz MTNUVBLJBHVVPF-GDGBQDQQSA-N 1 2 247.298 0.894 20 0 BCADLO CCc1nc(N[C@@H](C)C(=O)NC)cc[nH+]1 ZINC000884514318 591963442 /nfs/dbraw/zinc/96/34/42/591963442.db2.gz FVBWCEOLRGQHPX-ZETCQYMHSA-N 1 2 208.265 0.585 20 0 BCADLO CCc1nc(NCCNC(=O)NC)cc[nH+]1 ZINC000884532838 591969461 /nfs/dbraw/zinc/96/94/61/591969461.db2.gz SAPACPLQDCBYNT-UHFFFAOYSA-N 1 2 223.280 0.380 20 0 BCADLO CCc1nc(N[C@@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000884537427 591971588 /nfs/dbraw/zinc/97/15/88/591971588.db2.gz ZZGKREIDYVRWTL-MRVPVSSYSA-N 1 2 248.286 0.598 20 0 BCADLO CCc1nc(N[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000884544226 591973517 /nfs/dbraw/zinc/97/35/17/591973517.db2.gz AHNJIRNTXYEZCT-OCAPTIKFSA-N 1 2 220.276 0.715 20 0 BCADLO CCc1nc(NCC[C@]2(O)CCOC2)cc[nH+]1 ZINC000884544847 591974051 /nfs/dbraw/zinc/97/40/51/591974051.db2.gz RDPGPOCVPGDKJX-LBPRGKRZSA-N 1 2 237.303 0.992 20 0 BCADLO CCON(C)C(=O)CNc1cc[nH+]c(CC)n1 ZINC000884545590 591974184 /nfs/dbraw/zinc/97/41/84/591974184.db2.gz LXYRHELISJTFIL-UHFFFAOYSA-N 1 2 238.291 0.861 20 0 BCADLO CCc1nc(N(C)Cc2cn(C)nn2)cc[nH+]1 ZINC000884557401 591977991 /nfs/dbraw/zinc/97/79/91/591977991.db2.gz OLRKBRZGWPZIRH-UHFFFAOYSA-N 1 2 232.291 0.804 20 0 BCADLO CCc1nc(NCCCc2c[nH][nH]c2=O)cc[nH+]1 ZINC000884557736 591978295 /nfs/dbraw/zinc/97/82/95/591978295.db2.gz YABODGKGNKZWHK-VIFPVBQESA-N 1 2 247.302 0.963 20 0 BCADLO CCc1nc(N[C@@H]2COC[C@@H]2O)cc[nH+]1 ZINC000884569399 591983035 /nfs/dbraw/zinc/98/30/35/591983035.db2.gz MNBZOBZHINDYSQ-SFYZADRCSA-N 1 2 209.249 0.211 20 0 BCADLO CCc1nc(NC[C@H](O)[C@@H](C)O)cc[nH+]1 ZINC000884572898 591983874 /nfs/dbraw/zinc/98/38/74/591983874.db2.gz YERWITIACFDSEA-SFYZADRCSA-N 1 2 211.265 0.193 20 0 BCADLO O[C@@H]1C[C@H](Nc2cc[nH+]c3ccncc23)C[C@@H]1O ZINC000884623272 591996582 /nfs/dbraw/zinc/99/65/82/591996582.db2.gz WSWOGKVEOLQXKJ-DCHINJLYSA-N 1 2 245.282 0.348 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000884623249 591996628 /nfs/dbraw/zinc/99/66/28/591996628.db2.gz VNDSZRSBSLRFBP-LETLQTKMSA-N 1 2 248.286 0.562 20 0 BCADLO Nc1cc(COC(=O)COC2CC2)cc[nH+]1 ZINC000884658320 592005697 /nfs/dbraw/zinc/00/56/97/592005697.db2.gz GPWASDQPFDUNRV-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO CN(C)c1cc(Cn2ncsc2=O)cc[nH+]1 ZINC000135471434 592014175 /nfs/dbraw/zinc/01/41/75/592014175.db2.gz LPTRQLUHGXLBEZ-UHFFFAOYSA-N 1 2 236.300 0.814 20 0 BCADLO COCCOC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000884943092 592030461 /nfs/dbraw/zinc/03/04/61/592030461.db2.gz SGEZTXYFMWWSRZ-VIFPVBQESA-N 1 2 227.264 0.644 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885038975 592036949 /nfs/dbraw/zinc/03/69/49/592036949.db2.gz BTKJSGBWBJQMLA-SNVBAGLBSA-N 1 2 235.287 0.853 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C(F)(F)F ZINC000135743318 592044185 /nfs/dbraw/zinc/04/41/85/592044185.db2.gz LHXSYIHEWOTAQK-UHFFFAOYSA-N 1 2 221.182 0.641 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(=O)CC[C@@H]1C ZINC000885080063 592048222 /nfs/dbraw/zinc/04/82/22/592048222.db2.gz KDOBCIMUENPZJK-QMMMGPOBSA-N 1 2 235.287 0.841 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000885083747 592049516 /nfs/dbraw/zinc/04/95/16/592049516.db2.gz URKXIBYCYNTLHS-VIFPVBQESA-N 1 2 235.287 0.543 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000885091255 592050972 /nfs/dbraw/zinc/05/09/72/592050972.db2.gz PHEDBZPPRNDBHT-SNVBAGLBSA-N 1 2 235.287 0.853 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)OCCOC ZINC000885216685 592058833 /nfs/dbraw/zinc/05/88/33/592058833.db2.gz SZTCJSOUQGQMDG-UHFFFAOYSA-N 1 2 227.264 0.776 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000885574486 592084601 /nfs/dbraw/zinc/08/46/01/592084601.db2.gz JZLRUACNTYTRTQ-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885982271 592121016 /nfs/dbraw/zinc/12/10/16/592121016.db2.gz YQRAENONGUWTRE-USWWRNFRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885982271 592121017 /nfs/dbraw/zinc/12/10/17/592121017.db2.gz YQRAENONGUWTRE-USWWRNFRSA-N 1 2 238.331 0.764 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@](C)(O)C(F)F ZINC000886006796 592129218 /nfs/dbraw/zinc/12/92/18/592129218.db2.gz VOIPQIDRPGKUPI-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@](C)(O)C(F)F ZINC000886006796 592129220 /nfs/dbraw/zinc/12/92/20/592129220.db2.gz VOIPQIDRPGKUPI-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@](C)(O)C(F)F ZINC000886006793 592129265 /nfs/dbraw/zinc/12/92/65/592129265.db2.gz VOIPQIDRPGKUPI-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@](C)(O)C(F)F ZINC000886006793 592129268 /nfs/dbraw/zinc/12/92/68/592129268.db2.gz VOIPQIDRPGKUPI-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1C[C@]12CCOC2 ZINC000886036283 592138169 /nfs/dbraw/zinc/13/81/69/592138169.db2.gz YAFQFDLNLZXGOB-ONGXEEELSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1C[C@]12CCOC2 ZINC000886036283 592138171 /nfs/dbraw/zinc/13/81/71/592138171.db2.gz YAFQFDLNLZXGOB-ONGXEEELSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1C[C@@]12CCOC2 ZINC000886036280 592138355 /nfs/dbraw/zinc/13/83/55/592138355.db2.gz YAFQFDLNLZXGOB-GXSJLCMTSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1C[C@@]12CCOC2 ZINC000886036280 592138358 /nfs/dbraw/zinc/13/83/58/592138358.db2.gz YAFQFDLNLZXGOB-GXSJLCMTSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2nn[nH]c2C1)C(F)F ZINC000886164438 592166907 /nfs/dbraw/zinc/16/69/07/592166907.db2.gz LCNSYSYVGUVANT-SECBINFHSA-N 1 2 232.234 0.179 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2nn[nH]c2C1)C(F)F ZINC000886164438 592166908 /nfs/dbraw/zinc/16/69/08/592166908.db2.gz LCNSYSYVGUVANT-SECBINFHSA-N 1 2 232.234 0.179 20 0 BCADLO CCn1ncc(C[NH2+][C@]23C[C@H]2COC3)n1 ZINC000886200633 592174955 /nfs/dbraw/zinc/17/49/55/592174955.db2.gz UPXBBEOUCDTZOO-WPRPVWTQSA-N 1 2 208.265 0.177 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC(=O)N1 ZINC000886231916 592181632 /nfs/dbraw/zinc/18/16/32/592181632.db2.gz NFPUOGFDDBJOAH-USWWRNFRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC(=O)N1 ZINC000886231916 592181634 /nfs/dbraw/zinc/18/16/34/592181634.db2.gz NFPUOGFDDBJOAH-USWWRNFRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)CC(=O)N1 ZINC000886231915 592181733 /nfs/dbraw/zinc/18/17/33/592181733.db2.gz NFPUOGFDDBJOAH-JLLWLGSASA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)CC(=O)N1 ZINC000886231915 592181735 /nfs/dbraw/zinc/18/17/35/592181735.db2.gz NFPUOGFDDBJOAH-JLLWLGSASA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@H+](CCO)CCN1CCCCCCO ZINC000886238907 592182867 /nfs/dbraw/zinc/18/28/67/592182867.db2.gz LPEIDCCOMRXBTH-CYBMUJFWSA-N 1 2 244.379 0.538 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)CCN1CCCCCCO ZINC000886238907 592182870 /nfs/dbraw/zinc/18/28/70/592182870.db2.gz LPEIDCCOMRXBTH-CYBMUJFWSA-N 1 2 244.379 0.538 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@](C)(O)C(F)F ZINC000886252315 592187325 /nfs/dbraw/zinc/18/73/25/592187325.db2.gz ZSYUDJDZQSCDMH-QMMMGPOBSA-N 1 2 237.206 0.223 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@](C)(O)C(F)F ZINC000886252315 592187327 /nfs/dbraw/zinc/18/73/27/592187327.db2.gz ZSYUDJDZQSCDMH-QMMMGPOBSA-N 1 2 237.206 0.223 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2ncncc2C1)C(F)F ZINC000886320029 592208327 /nfs/dbraw/zinc/20/83/27/592208327.db2.gz YLEAVXIAXHDGNN-NSHDSACASA-N 1 2 243.257 0.851 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2ncncc2C1)C(F)F ZINC000886320029 592208329 /nfs/dbraw/zinc/20/83/29/592208329.db2.gz YLEAVXIAXHDGNN-NSHDSACASA-N 1 2 243.257 0.851 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886457582 592226699 /nfs/dbraw/zinc/22/66/99/592226699.db2.gz GETITBAUBAULKF-UHFFFAOYSA-N 1 2 218.264 0.407 20 0 BCADLO c1c[nH]c(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886457582 592226702 /nfs/dbraw/zinc/22/67/02/592226702.db2.gz GETITBAUBAULKF-UHFFFAOYSA-N 1 2 218.264 0.407 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCCn2nncc2C1 ZINC000886455697 592226976 /nfs/dbraw/zinc/22/69/76/592226976.db2.gz YLPLRGISRXASEE-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCn1ccnc1C[N@H+]1CCCn2nncc2C1 ZINC000886455697 592226977 /nfs/dbraw/zinc/22/69/77/592226977.db2.gz YLPLRGISRXASEE-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886462792 592228249 /nfs/dbraw/zinc/22/82/49/592228249.db2.gz DQVFCTLQOVXKSS-LLVKDONJSA-N 1 2 249.318 0.105 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886462792 592228250 /nfs/dbraw/zinc/22/82/50/592228250.db2.gz DQVFCTLQOVXKSS-LLVKDONJSA-N 1 2 249.318 0.105 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCn2nncc2C1 ZINC000886466749 592229118 /nfs/dbraw/zinc/22/91/18/592229118.db2.gz IIKHYVYQCPHIDP-UHFFFAOYSA-N 1 2 234.307 0.287 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCn2nncc2C1 ZINC000886466749 592229119 /nfs/dbraw/zinc/22/91/19/592229119.db2.gz IIKHYVYQCPHIDP-UHFFFAOYSA-N 1 2 234.307 0.287 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1ncco1 ZINC000886526752 592246050 /nfs/dbraw/zinc/24/60/50/592246050.db2.gz RVNDPIATBQLLOA-MRVPVSSYSA-N 1 2 211.265 0.850 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1ncco1 ZINC000886528804 592247791 /nfs/dbraw/zinc/24/77/91/592247791.db2.gz RRIDGLLNLQGVRN-MRVPVSSYSA-N 1 2 211.265 0.851 20 0 BCADLO c1nn[nH]c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570385 592262663 /nfs/dbraw/zinc/26/26/63/592262663.db2.gz JBQXDRNQZGBPAG-OCAPTIKFSA-N 1 2 210.306 0.600 20 0 BCADLO c1nn[nH]c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570385 592262665 /nfs/dbraw/zinc/26/26/65/592262665.db2.gz JBQXDRNQZGBPAG-OCAPTIKFSA-N 1 2 210.306 0.600 20 0 BCADLO c1n[nH]nc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570385 592262667 /nfs/dbraw/zinc/26/26/67/592262667.db2.gz JBQXDRNQZGBPAG-OCAPTIKFSA-N 1 2 210.306 0.600 20 0 BCADLO c1n[nH]nc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570385 592262668 /nfs/dbraw/zinc/26/26/68/592262668.db2.gz JBQXDRNQZGBPAG-OCAPTIKFSA-N 1 2 210.306 0.600 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H](C)O)C2 ZINC000886614957 592274657 /nfs/dbraw/zinc/27/46/57/592274657.db2.gz QIRHNQAIKVNIEY-QMMMGPOBSA-N 1 2 223.276 0.169 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)COC)C2 ZINC000886628891 592281578 /nfs/dbraw/zinc/28/15/78/592281578.db2.gz INMMQRIXYOCPOF-UHFFFAOYSA-N 1 2 223.276 0.434 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677093 592299764 /nfs/dbraw/zinc/29/97/64/592299764.db2.gz RBYIIZZEZKRZEN-SECBINFHSA-N 1 2 220.276 0.141 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677093 592299769 /nfs/dbraw/zinc/29/97/69/592299769.db2.gz RBYIIZZEZKRZEN-SECBINFHSA-N 1 2 220.276 0.141 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CCCOC2)n1 ZINC000886753257 592316587 /nfs/dbraw/zinc/31/65/87/592316587.db2.gz GCJNJHYKBSZAJR-MRVPVSSYSA-N 1 2 242.348 0.936 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CCCOC2)[nH]1 ZINC000886753257 592316593 /nfs/dbraw/zinc/31/65/93/592316593.db2.gz GCJNJHYKBSZAJR-MRVPVSSYSA-N 1 2 242.348 0.936 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341639 /nfs/dbraw/zinc/34/16/39/592341639.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 1 2 222.292 0.806 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341644 /nfs/dbraw/zinc/34/16/44/592341644.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341649 /nfs/dbraw/zinc/34/16/49/592341649.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341653 /nfs/dbraw/zinc/34/16/53/592341653.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 1 2 222.292 0.806 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC000886819117 592341828 /nfs/dbraw/zinc/34/18/28/592341828.db2.gz OICDUOQIPWBOPO-NXEZZACHSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC000886819117 592341833 /nfs/dbraw/zinc/34/18/33/592341833.db2.gz OICDUOQIPWBOPO-NXEZZACHSA-N 1 2 237.307 0.211 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342180 /nfs/dbraw/zinc/34/21/80/592342180.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 1 2 222.292 0.806 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342183 /nfs/dbraw/zinc/34/21/83/592342183.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342187 /nfs/dbraw/zinc/34/21/87/592342187.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342191 /nfs/dbraw/zinc/34/21/91/592342191.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 1 2 222.292 0.806 20 0 BCADLO CC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886953086 592401520 /nfs/dbraw/zinc/40/15/20/592401520.db2.gz UAXVMWXLOZVLEI-IUCAKERBSA-N 1 2 201.266 0.707 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000886850951 592366940 /nfs/dbraw/zinc/36/69/40/592366940.db2.gz ZAFQAWGYMAQSBR-VIFPVBQESA-N 1 2 236.275 0.407 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000886850951 592366946 /nfs/dbraw/zinc/36/69/46/592366946.db2.gz ZAFQAWGYMAQSBR-VIFPVBQESA-N 1 2 236.275 0.407 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000886852677 592367488 /nfs/dbraw/zinc/36/74/88/592367488.db2.gz RZYBPBYEUQXICH-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000886852677 592367493 /nfs/dbraw/zinc/36/74/93/592367493.db2.gz RZYBPBYEUQXICH-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](C)CO ZINC000886946292 592400617 /nfs/dbraw/zinc/40/06/17/592400617.db2.gz JHGBDMZEUMKETC-DCAQKATOSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCO ZINC000886952600 592400828 /nfs/dbraw/zinc/40/08/28/592400828.db2.gz LDEGBRDMRBZZAP-UWVGGRQHSA-N 1 2 231.292 0.069 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1ncnn1CC)C(N)=O ZINC000887057658 592434350 /nfs/dbraw/zinc/43/43/50/592434350.db2.gz QHGDZPPRFIULFR-WPRPVWTQSA-N 1 2 239.323 0.288 20 0 BCADLO COC(=O)[C@@H]1CSCCN1Cc1c[nH+]c[nH]1 ZINC000887076149 592435608 /nfs/dbraw/zinc/43/56/08/592435608.db2.gz YJXWHWHJXQKOSV-VIFPVBQESA-N 1 2 241.316 0.500 20 0 BCADLO COC(=O)[C@@H]1CSCCN1Cc1c[nH]c[nH+]1 ZINC000887076149 592435610 /nfs/dbraw/zinc/43/56/10/592435610.db2.gz YJXWHWHJXQKOSV-VIFPVBQESA-N 1 2 241.316 0.500 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)CO ZINC000887075275 592435650 /nfs/dbraw/zinc/43/56/50/592435650.db2.gz AKKTYQMFVLTJNI-DTWKUNHWSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)CO ZINC000887075275 592435652 /nfs/dbraw/zinc/43/56/52/592435652.db2.gz AKKTYQMFVLTJNI-DTWKUNHWSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCC[C@@H](C)O ZINC000887077747 592435798 /nfs/dbraw/zinc/43/57/98/592435798.db2.gz SWSDEWRSDLUERV-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCC[C@@H](C)O ZINC000887077747 592435801 /nfs/dbraw/zinc/43/58/01/592435801.db2.gz SWSDEWRSDLUERV-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO OCC[C@@H](NCCn1cc[nH+]c1)C(F)(F)F ZINC000887079025 592435807 /nfs/dbraw/zinc/43/58/07/592435807.db2.gz ILQPOVCAXXEWAW-MRVPVSSYSA-N 1 2 237.225 0.786 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCC(C)(C)O ZINC000887074196 592435939 /nfs/dbraw/zinc/43/59/39/592435939.db2.gz PXXYJQXZWICCNL-VIFPVBQESA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCC(C)(C)O ZINC000887074196 592435941 /nfs/dbraw/zinc/43/59/41/592435941.db2.gz PXXYJQXZWICCNL-VIFPVBQESA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCC[C@@H](C)O ZINC000887077750 592436056 /nfs/dbraw/zinc/43/60/56/592436056.db2.gz SWSDEWRSDLUERV-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCC[C@@H](C)O ZINC000887077750 592436058 /nfs/dbraw/zinc/43/60/58/592436058.db2.gz SWSDEWRSDLUERV-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@]12C[C@H]1COC21CCC1 ZINC000887125362 592447598 /nfs/dbraw/zinc/44/75/98/592447598.db2.gz RQFYHCLRTMJUTH-TVQRCGJNSA-N 1 2 247.298 0.780 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCCSC1)CC[NH2+]C2 ZINC000887299374 592479291 /nfs/dbraw/zinc/47/92/91/592479291.db2.gz YAYPWVWOEQSIAB-BDAKNGLRSA-N 1 2 239.344 0.690 20 0 BCADLO CON(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000140794689 592483003 /nfs/dbraw/zinc/48/30/03/592483003.db2.gz IKDOILIQWOWIFC-ZETCQYMHSA-N 1 2 209.249 0.534 20 0 BCADLO CON(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000140794689 592483005 /nfs/dbraw/zinc/48/30/05/592483005.db2.gz IKDOILIQWOWIFC-ZETCQYMHSA-N 1 2 209.249 0.534 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000887341139 592483273 /nfs/dbraw/zinc/48/32/73/592483273.db2.gz WCIDYGHJCGVMFR-MXWKQRLJSA-N 1 2 234.303 0.933 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000889063651 592578281 /nfs/dbraw/zinc/57/82/81/592578281.db2.gz CXJHZJZYRUNGBI-KXUCPTDWSA-N 1 2 246.314 0.928 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000889063651 592578285 /nfs/dbraw/zinc/57/82/85/592578285.db2.gz CXJHZJZYRUNGBI-KXUCPTDWSA-N 1 2 246.314 0.928 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N1CC[C@H]1CO ZINC000889162220 592586618 /nfs/dbraw/zinc/58/66/18/592586618.db2.gz OCYZQLRXRHYENV-VIFPVBQESA-N 1 2 235.287 0.639 20 0 BCADLO Cc1nnc(CNC(=O)CCCn2cc[nH+]c2)[nH]1 ZINC000889705537 592649653 /nfs/dbraw/zinc/64/96/53/592649653.db2.gz GHNPZDBOTYAOFH-UHFFFAOYSA-N 1 2 248.290 0.406 20 0 BCADLO Cc1nc(CNC(=O)CCCn2cc[nH+]c2)n[nH]1 ZINC000889705537 592649654 /nfs/dbraw/zinc/64/96/54/592649654.db2.gz GHNPZDBOTYAOFH-UHFFFAOYSA-N 1 2 248.290 0.406 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099634 592678853 /nfs/dbraw/zinc/67/88/53/592678853.db2.gz DNZJTGNLKJXPRU-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO COc1nccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890099710 592679306 /nfs/dbraw/zinc/67/93/06/592679306.db2.gz HFURCRKFMDYPBS-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1ccnc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890104430 592680023 /nfs/dbraw/zinc/68/00/23/592680023.db2.gz LEWWOKMBDUJYBG-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1cncc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890107016 592681089 /nfs/dbraw/zinc/68/10/89/592681089.db2.gz GJNRRMWLURFJJF-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2ccc(C=O)n2C)c1 ZINC000890104671 592681823 /nfs/dbraw/zinc/68/18/23/592681823.db2.gz OUJGRZBYZJRAPW-UHFFFAOYSA-N 1 2 246.270 0.501 20 0 BCADLO CO[C@](C)(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890106509 592681987 /nfs/dbraw/zinc/68/19/87/592681987.db2.gz AWMYKLZACLLOTI-LBPRGKRZSA-N 1 2 237.303 0.851 20 0 BCADLO CCn1ccnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108235 592682807 /nfs/dbraw/zinc/68/28/07/592682807.db2.gz WMLFIVQAFXPQBL-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109334 592682818 /nfs/dbraw/zinc/68/28/18/592682818.db2.gz KSQBUPNGSFBUHJ-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CCCCO2)c1 ZINC000890109437 592683034 /nfs/dbraw/zinc/68/30/34/592683034.db2.gz BLOURTIZMIPKSG-NSHDSACASA-N 1 2 237.303 0.996 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC(C)(C)C)c1 ZINC000890109199 592683057 /nfs/dbraw/zinc/68/30/57/592683057.db2.gz GFLOIJLWWSGYNZ-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108378 592683066 /nfs/dbraw/zinc/68/30/66/592683066.db2.gz YKMRJPJYCFHVAO-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2ncccc2F)c1 ZINC000890107625 592683187 /nfs/dbraw/zinc/68/31/87/592683187.db2.gz NPUOCDHZRGFUEC-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107576 592683246 /nfs/dbraw/zinc/68/32/46/592683246.db2.gz MBACHHCNGKABCI-NSHDSACASA-N 1 2 225.292 0.851 20 0 BCADLO Cc1nc(C(=O)NCc2cn(C)c[nH+]2)co1 ZINC000890107571 592683311 /nfs/dbraw/zinc/68/33/11/592683311.db2.gz LYJILZHJEPQPOJ-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COC(=O)CCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109390 592683468 /nfs/dbraw/zinc/68/34/68/592683468.db2.gz NEPGVJGDKOQQIT-UHFFFAOYSA-N 1 2 239.275 0.380 20 0 BCADLO COc1cc(C(=O)NCc2cn(C)c[nH+]2)on1 ZINC000890110345 592683686 /nfs/dbraw/zinc/68/36/86/592683686.db2.gz YWXMGEARJGWOLS-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890110081 592684169 /nfs/dbraw/zinc/68/41/69/592684169.db2.gz WQENUYAHENPAAZ-SNVBAGLBSA-N 1 2 225.292 0.587 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117231 592685806 /nfs/dbraw/zinc/68/58/06/592685806.db2.gz NNQFQGROJDXJMS-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COc2cccnc2)c1 ZINC000890114359 592685889 /nfs/dbraw/zinc/68/58/89/592685889.db2.gz HPYRUEBTMYFEPZ-UHFFFAOYSA-N 1 2 246.270 0.510 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCCn2cccn2)c1 ZINC000890114845 592686092 /nfs/dbraw/zinc/68/60/92/592686092.db2.gz ZNIOQFQDKQPGAV-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229933375 597241463 /nfs/dbraw/zinc/24/14/63/597241463.db2.gz SZJYDMJYCSXKME-IUCAKERBSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229933375 597241465 /nfs/dbraw/zinc/24/14/65/597241465.db2.gz SZJYDMJYCSXKME-IUCAKERBSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000043411510 598214731 /nfs/dbraw/zinc/21/47/31/598214731.db2.gz IGCUXUZTQHDUQP-QMMMGPOBSA-N 1 2 202.298 0.779 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000225835690 598213959 /nfs/dbraw/zinc/21/39/59/598213959.db2.gz WTKSBGONZHYFEG-BDAKNGLRSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000225835690 598213960 /nfs/dbraw/zinc/21/39/60/598213960.db2.gz WTKSBGONZHYFEG-BDAKNGLRSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)[O-])C1)[NH+](C)C ZINC000738938090 603273877 /nfs/dbraw/zinc/27/38/77/603273877.db2.gz GQZSZBIULYIHOD-WDEREUQCSA-N 1 2 243.351 0.916 20 0 BCADLO CC(C)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000694023018 605141144 /nfs/dbraw/zinc/14/11/44/605141144.db2.gz WZFFJUKDZFIPQA-UHFFFAOYSA-N 1 2 211.265 0.726 20 0 BCADLO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ncn(C)n1 ZINC000312974462 634427691 /nfs/dbraw/zinc/42/76/91/634427691.db2.gz LFIOXRPJRVBBFP-BDAKNGLRSA-N 1 2 224.308 0.891 20 0 BCADLO C[C@@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CN(C)CCO1 ZINC000124857365 634435954 /nfs/dbraw/zinc/43/59/54/634435954.db2.gz XZYFCWRRQSYRKE-KOLCDFICSA-N 1 2 224.308 0.218 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nonc1C ZINC001027709182 635122605 /nfs/dbraw/zinc/12/26/05/635122605.db2.gz BBENIJPPECAVQI-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nonc1C ZINC001027709182 635122600 /nfs/dbraw/zinc/12/26/00/635122600.db2.gz BBENIJPPECAVQI-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ncnn1C ZINC000893433752 634467818 /nfs/dbraw/zinc/46/78/18/634467818.db2.gz MPZLTHJCXBLIJN-MRVPVSSYSA-N 1 2 247.306 0.844 20 0 BCADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ncnn1C ZINC000893433752 634467825 /nfs/dbraw/zinc/46/78/25/634467825.db2.gz MPZLTHJCXBLIJN-MRVPVSSYSA-N 1 2 247.306 0.844 20 0 BCADLO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C(C)(C)C ZINC000335627086 634501638 /nfs/dbraw/zinc/50/16/38/634501638.db2.gz BDRHTJCINFBPGM-UHFFFAOYSA-N 1 2 236.319 0.926 20 0 BCADLO CN(C)c1cc(N[C@H](CO)CC(F)F)[nH+]cn1 ZINC000893489830 634528959 /nfs/dbraw/zinc/52/89/59/634528959.db2.gz KWAWXRRKCLNDDV-ZETCQYMHSA-N 1 2 246.261 0.971 20 0 BCADLO CN(C)c1cc(N[C@H](CO)CC(F)F)nc[nH+]1 ZINC000893489830 634528964 /nfs/dbraw/zinc/52/89/64/634528964.db2.gz KWAWXRRKCLNDDV-ZETCQYMHSA-N 1 2 246.261 0.971 20 0 BCADLO CC[S@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000925822088 635398322 /nfs/dbraw/zinc/39/83/22/635398322.db2.gz SLDBEYWBMVNVFL-AWEZNQCLSA-N 1 2 215.278 0.527 20 0 BCADLO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CNOC1 ZINC000925860293 635554593 /nfs/dbraw/zinc/55/45/93/635554593.db2.gz OXCZTOAVHDTTOT-DTWKUNHWSA-N 1 2 210.281 0.457 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324186 631251706 /nfs/dbraw/zinc/25/17/06/631251706.db2.gz SLJLJBNFRXWYOM-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](O)CC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324186 631251713 /nfs/dbraw/zinc/25/17/13/631251713.db2.gz SLJLJBNFRXWYOM-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCc1ccccn1 ZINC000933327459 631260042 /nfs/dbraw/zinc/26/00/42/631260042.db2.gz PCDMCCQPALKGNX-CYBMUJFWSA-N 1 2 236.315 0.971 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCc1ccccn1 ZINC000933327459 631260045 /nfs/dbraw/zinc/26/00/45/631260045.db2.gz PCDMCCQPALKGNX-CYBMUJFWSA-N 1 2 236.315 0.971 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308369943 631307099 /nfs/dbraw/zinc/30/70/99/631307099.db2.gz ARXGANGOZFPEQP-APPZFPTMSA-N 1 2 205.261 0.936 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397072 631357039 /nfs/dbraw/zinc/35/70/39/631357039.db2.gz XKFUXXCLTSMPLC-SECBINFHSA-N 1 2 249.314 0.886 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397072 631357047 /nfs/dbraw/zinc/35/70/47/631357047.db2.gz XKFUXXCLTSMPLC-SECBINFHSA-N 1 2 249.314 0.886 20 0 BCADLO COCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528816 631394891 /nfs/dbraw/zinc/39/48/91/631394891.db2.gz YCUWYUIZHPTVOY-LLVKDONJSA-N 1 2 225.292 0.440 20 0 BCADLO COCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528816 631394892 /nfs/dbraw/zinc/39/48/92/631394892.db2.gz YCUWYUIZHPTVOY-LLVKDONJSA-N 1 2 225.292 0.440 20 0 BCADLO CC(C)NC(=O)CN(C)c1nccn2c[nH+]cc12 ZINC000891573793 631397531 /nfs/dbraw/zinc/39/75/31/631397531.db2.gz JVWALPPLKSLDJW-UHFFFAOYSA-N 1 2 247.302 0.690 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000308598735 631436152 /nfs/dbraw/zinc/43/61/52/631436152.db2.gz NOUFTBFINDWODM-CBAPKCEASA-N 1 2 201.266 0.299 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCOC1=O)C(C)C ZINC000308626590 631445620 /nfs/dbraw/zinc/44/56/20/631445620.db2.gz WWISQPQVMQGYDZ-BDAKNGLRSA-N 1 2 201.266 0.563 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176100037 631513060 /nfs/dbraw/zinc/51/30/60/631513060.db2.gz ZEZNZSBDIVRVGS-VIFPVBQESA-N 1 2 242.348 0.877 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176100037 631513061 /nfs/dbraw/zinc/51/30/61/631513061.db2.gz ZEZNZSBDIVRVGS-VIFPVBQESA-N 1 2 242.348 0.877 20 0 BCADLO COC(C[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C)OC ZINC000933828373 631519149 /nfs/dbraw/zinc/51/91/49/631519149.db2.gz JBXSKLWMIJPVEL-SECBINFHSA-N 1 2 244.335 0.452 20 0 BCADLO COC(C[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C)OC ZINC000933828373 631519150 /nfs/dbraw/zinc/51/91/50/631519150.db2.gz JBXSKLWMIJPVEL-SECBINFHSA-N 1 2 244.335 0.452 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@@H]2CO)sn1 ZINC000934013476 631593964 /nfs/dbraw/zinc/59/39/64/631593964.db2.gz WHDNUGLNNLOLRT-SSDOTTSWSA-N 1 2 214.290 0.718 20 0 BCADLO COc1cc(C[N@H+]2CC[C@@H]2CO)sn1 ZINC000934013476 631593971 /nfs/dbraw/zinc/59/39/71/631593971.db2.gz WHDNUGLNNLOLRT-SSDOTTSWSA-N 1 2 214.290 0.718 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@@H]2CO)nn1 ZINC000934014459 631600372 /nfs/dbraw/zinc/60/03/72/631600372.db2.gz NNWXAVLCDBEIDA-SECBINFHSA-N 1 2 209.249 0.052 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@@H]2CO)nn1 ZINC000934014459 631600375 /nfs/dbraw/zinc/60/03/75/631600375.db2.gz NNWXAVLCDBEIDA-SECBINFHSA-N 1 2 209.249 0.052 20 0 BCADLO O=[S@@](CC[N@H+]1CC[C@H]1CO)C(F)(F)F ZINC000934016089 631611756 /nfs/dbraw/zinc/61/17/56/631611756.db2.gz SBCSTXOGUUSWKN-MDAAJZPYSA-N 1 2 231.239 0.322 20 0 BCADLO O=[S@@](CC[N@@H+]1CC[C@H]1CO)C(F)(F)F ZINC000934016089 631611759 /nfs/dbraw/zinc/61/17/59/631611759.db2.gz SBCSTXOGUUSWKN-MDAAJZPYSA-N 1 2 231.239 0.322 20 0 BCADLO COC(=O)[C@@H]([N@@H+]1CC[C@H]1CO)C1(OC)CCC1 ZINC000934017785 631613125 /nfs/dbraw/zinc/61/31/25/631613125.db2.gz HPYOJTCIXSVRNP-VHSXEESVSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]([N@H+]1CC[C@H]1CO)C1(OC)CCC1 ZINC000934017785 631613131 /nfs/dbraw/zinc/61/31/31/631613131.db2.gz HPYOJTCIXSVRNP-VHSXEESVSA-N 1 2 243.303 0.164 20 0 BCADLO COc1nccc(C[N@@H+]2CC[C@H]2CO)n1 ZINC000934020161 631620050 /nfs/dbraw/zinc/62/00/50/631620050.db2.gz XFNIRWDMRKFSPP-VIFPVBQESA-N 1 2 209.249 0.052 20 0 BCADLO COc1nccc(C[N@H+]2CC[C@H]2CO)n1 ZINC000934020161 631620056 /nfs/dbraw/zinc/62/00/56/631620056.db2.gz XFNIRWDMRKFSPP-VIFPVBQESA-N 1 2 209.249 0.052 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028363844 635662499 /nfs/dbraw/zinc/66/24/99/635662499.db2.gz YGUZAMPKUSSLBU-SECBINFHSA-N 1 2 224.264 0.028 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028363844 635662503 /nfs/dbraw/zinc/66/25/03/635662503.db2.gz YGUZAMPKUSSLBU-SECBINFHSA-N 1 2 224.264 0.028 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000934044856 631626366 /nfs/dbraw/zinc/62/63/66/631626366.db2.gz YKPWMJSXMIXMOE-FXBDTBDDSA-N 1 2 241.291 0.833 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000924873213 635682509 /nfs/dbraw/zinc/68/25/09/635682509.db2.gz PVVFDJRDJWRBQV-SVRRBLITSA-N 1 2 224.264 0.307 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934125348 631704457 /nfs/dbraw/zinc/70/44/57/631704457.db2.gz KHNCEVNTKJJDNP-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934125348 631704463 /nfs/dbraw/zinc/70/44/63/631704463.db2.gz KHNCEVNTKJJDNP-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1c[nH]cn1)C(N)=O ZINC000308906783 631723047 /nfs/dbraw/zinc/72/30/47/631723047.db2.gz CSRHRTZKUDQMPH-CBAPKCEASA-N 1 2 210.281 0.399 20 0 BCADLO C[C@H]([NH2+]C1CSC1)c1nnnn1C1CC1 ZINC000309005009 631798477 /nfs/dbraw/zinc/79/84/77/631798477.db2.gz PMJWMBNMIJMWGL-LURJTMIESA-N 1 2 225.321 0.774 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C[C@H]1F ZINC000934559881 631921876 /nfs/dbraw/zinc/92/18/76/631921876.db2.gz FPAVOBSPIAPCMT-GMTAPVOTSA-N 1 2 233.283 0.197 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C[C@H]1F ZINC000934559881 631921881 /nfs/dbraw/zinc/92/18/81/631921881.db2.gz FPAVOBSPIAPCMT-GMTAPVOTSA-N 1 2 233.283 0.197 20 0 BCADLO COC(C[N@@H+]1CC[C@@H](O)[C@@H](F)C1)OC ZINC000934571799 631945557 /nfs/dbraw/zinc/94/55/57/631945557.db2.gz ZEVSWUBQPPXBGD-JGVFFNPUSA-N 1 2 207.245 0.010 20 0 BCADLO COC(C[N@H+]1CC[C@@H](O)[C@@H](F)C1)OC ZINC000934571799 631945560 /nfs/dbraw/zinc/94/55/60/631945560.db2.gz ZEVSWUBQPPXBGD-JGVFFNPUSA-N 1 2 207.245 0.010 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@H](O)[C@H](F)C1)CC(F)(F)F ZINC000934573174 631946899 /nfs/dbraw/zinc/94/68/99/631946899.db2.gz NIJRDBDFTWQZNE-RNJXMRFFSA-N 1 2 245.216 0.704 20 0 BCADLO O[C@H](C[N@H+]1CC[C@H](O)[C@H](F)C1)CC(F)(F)F ZINC000934573174 631946904 /nfs/dbraw/zinc/94/69/04/631946904.db2.gz NIJRDBDFTWQZNE-RNJXMRFFSA-N 1 2 245.216 0.704 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NCc2ccc(N)[nH+]c2)[C@@H]1C ZINC000927777834 635747293 /nfs/dbraw/zinc/74/72/93/635747293.db2.gz OLQSGOHOYUARJD-XXILOJSOSA-N 1 2 249.314 0.951 20 0 BCADLO NC(=O)[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892338790 632395787 /nfs/dbraw/zinc/39/57/87/632395787.db2.gz BKOQSDFKEPWVDG-MRVPVSSYSA-N 1 2 231.259 0.041 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000926504011 632400417 /nfs/dbraw/zinc/40/04/17/632400417.db2.gz QCZJZXRRZKCQRB-DTWKUNHWSA-N 1 2 234.303 0.442 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000308911785 632411721 /nfs/dbraw/zinc/41/17/21/632411721.db2.gz XGBOKCIHFSVJAO-BBBLOLIVSA-N 1 2 213.277 0.443 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)c1nonc1C)C(=O)NC ZINC000926553059 632493538 /nfs/dbraw/zinc/49/35/38/632493538.db2.gz SVBQDQJVURAUDF-HTRCEHHLSA-N 1 2 226.280 0.553 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000177048943 632698964 /nfs/dbraw/zinc/69/89/64/632698964.db2.gz WFGLYIRHLFQNRB-UHFFFAOYSA-N 1 2 223.276 0.369 20 0 BCADLO Cn1cncc1C[N@H+]1CCC2(C1)OCCO2 ZINC000177048943 632698969 /nfs/dbraw/zinc/69/89/69/632698969.db2.gz WFGLYIRHLFQNRB-UHFFFAOYSA-N 1 2 223.276 0.369 20 0 BCADLO Cn1c[nH+]cc1CN1CCC2(C1)OCCO2 ZINC000177048943 632698971 /nfs/dbraw/zinc/69/89/71/632698971.db2.gz WFGLYIRHLFQNRB-UHFFFAOYSA-N 1 2 223.276 0.369 20 0 BCADLO Cc1cnnc(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000235439708 632737138 /nfs/dbraw/zinc/73/71/38/632737138.db2.gz RLXDFRSALGRFOF-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO COCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000309248628 632840890 /nfs/dbraw/zinc/84/08/90/632840890.db2.gz DEFGPWBCNSWGMQ-UHFFFAOYSA-N 1 2 224.260 0.786 20 0 BCADLO CCOC(=O)C[N@H+](CC)CC[C@@H]1CCOC1=O ZINC000177659790 632856682 /nfs/dbraw/zinc/85/66/82/632856682.db2.gz FHIMMXGCWYLHRS-SNVBAGLBSA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CC[C@@H]1CCOC1=O ZINC000177659790 632856687 /nfs/dbraw/zinc/85/66/87/632856687.db2.gz FHIMMXGCWYLHRS-SNVBAGLBSA-N 1 2 243.303 0.825 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOCC(F)(F)F ZINC000309406087 633022653 /nfs/dbraw/zinc/02/26/53/633022653.db2.gz UZDJBGCCOGCOIU-UHFFFAOYSA-N 1 2 237.181 0.883 20 0 BCADLO CCCN(CCO)c1nccn2c[nH+]cc12 ZINC000892626336 633026277 /nfs/dbraw/zinc/02/62/77/633026277.db2.gz UKJZEJBYUILRQH-UHFFFAOYSA-N 1 2 220.276 0.938 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+][C@H]1[C@@H]1CCOC1 ZINC000309419922 633046715 /nfs/dbraw/zinc/04/67/15/633046715.db2.gz DLVXSMZVLUMCMD-NXEZZACHSA-N 1 2 224.304 0.723 20 0 BCADLO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000309574563 633200488 /nfs/dbraw/zinc/20/04/88/633200488.db2.gz ONTPVDMGTZGUQV-ZYUZMQFOSA-N 1 2 227.304 0.951 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000894758425 635921757 /nfs/dbraw/zinc/92/17/57/635921757.db2.gz HWTDXIHETADUMK-JTQLQIEISA-N 1 2 242.319 0.537 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000309639094 633215153 /nfs/dbraw/zinc/21/51/53/633215153.db2.gz NVTYPCPHLBXMPK-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3cncnc3)C2)n[nH]1 ZINC000895006687 636016131 /nfs/dbraw/zinc/01/61/31/636016131.db2.gz BKENLRCNZBFNHK-NSHDSACASA-N 1 2 244.302 0.893 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3cncnc3)C2)n[nH]1 ZINC000895006687 636016136 /nfs/dbraw/zinc/01/61/36/636016136.db2.gz BKENLRCNZBFNHK-NSHDSACASA-N 1 2 244.302 0.893 20 0 BCADLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029228746 636030584 /nfs/dbraw/zinc/03/05/84/636030584.db2.gz CAIQBYXGAWOGRW-MXWKQRLJSA-N 1 2 244.310 0.666 20 0 BCADLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029228746 636030590 /nfs/dbraw/zinc/03/05/90/636030590.db2.gz CAIQBYXGAWOGRW-MXWKQRLJSA-N 1 2 244.310 0.666 20 0 BCADLO Cn1c(C=O)ccc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556271 636094320 /nfs/dbraw/zinc/09/43/20/636094320.db2.gz SMZWCBMRGQRGMD-SECBINFHSA-N 1 2 235.287 0.272 20 0 BCADLO Cn1c(C=O)ccc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556271 636094324 /nfs/dbraw/zinc/09/43/24/636094324.db2.gz SMZWCBMRGQRGMD-SECBINFHSA-N 1 2 235.287 0.272 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555820 636094434 /nfs/dbraw/zinc/09/44/34/636094434.db2.gz NUTBWUPWEDMURD-JTQLQIEISA-N 1 2 235.287 0.570 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555820 636094440 /nfs/dbraw/zinc/09/44/40/636094440.db2.gz NUTBWUPWEDMURD-JTQLQIEISA-N 1 2 235.287 0.570 20 0 BCADLO CCc1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000928557186 636095690 /nfs/dbraw/zinc/09/56/90/636095690.db2.gz XOKBPFFUXYEGHC-ZETCQYMHSA-N 1 2 240.332 0.534 20 0 BCADLO CCc1nnc(C(=O)NC[C@@H]2CC[N@H+]2C)s1 ZINC000928557186 636095693 /nfs/dbraw/zinc/09/56/93/636095693.db2.gz XOKBPFFUXYEGHC-ZETCQYMHSA-N 1 2 240.332 0.534 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccc(O)cc1 ZINC000928558564 636099272 /nfs/dbraw/zinc/09/92/72/636099272.db2.gz XFLZXVYTKIXZEK-SNVBAGLBSA-N 1 2 248.282 0.395 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccc(O)cc1 ZINC000928558564 636099274 /nfs/dbraw/zinc/09/92/74/636099274.db2.gz XFLZXVYTKIXZEK-SNVBAGLBSA-N 1 2 248.282 0.395 20 0 BCADLO COC(=O)c1sccc1C[NH2+][C@H](C)C(N)=O ZINC000328391853 633760741 /nfs/dbraw/zinc/76/07/41/633760741.db2.gz KGGGIVHOBIHDJH-ZCFIWIBFSA-N 1 2 242.300 0.498 20 0 BCADLO Cc1nc(N2CC[C@@H]3COC(=O)N[C@H]3C2)cc[nH+]1 ZINC000281910214 633800975 /nfs/dbraw/zinc/80/09/75/633800975.db2.gz PVBUKELFVKWTLK-ZJUUUORDSA-N 1 2 248.286 0.720 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnn(CCF)c1 ZINC000930557840 633896624 /nfs/dbraw/zinc/89/66/24/633896624.db2.gz AAMDHFHGMIFLKW-UHFFFAOYSA-N 1 2 242.298 0.550 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnn(CCF)c1 ZINC000930557840 633896626 /nfs/dbraw/zinc/89/66/26/633896626.db2.gz AAMDHFHGMIFLKW-UHFFFAOYSA-N 1 2 242.298 0.550 20 0 BCADLO CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895470065 636148667 /nfs/dbraw/zinc/14/86/67/636148667.db2.gz RFZHGBOSJDPQMM-SECBINFHSA-N 1 2 208.265 0.536 20 0 BCADLO CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895470065 636148670 /nfs/dbraw/zinc/14/86/70/636148670.db2.gz RFZHGBOSJDPQMM-SECBINFHSA-N 1 2 208.265 0.536 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1[nH]ncc1C ZINC000309982459 634025403 /nfs/dbraw/zinc/02/54/03/634025403.db2.gz WWRDBYOVUUOIQZ-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000309982459 634025405 /nfs/dbraw/zinc/02/54/05/634025405.db2.gz WWRDBYOVUUOIQZ-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CON1CCC([N@@H+](C)Cc2nncs2)CC1 ZINC000930685860 634030717 /nfs/dbraw/zinc/03/07/17/634030717.db2.gz IBRXMPJMDIUXBZ-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO CON1CCC([N@H+](C)Cc2nncs2)CC1 ZINC000930685860 634030681 /nfs/dbraw/zinc/03/06/81/634030681.db2.gz IBRXMPJMDIUXBZ-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO CC[C@@]1(O)CCN(c2cc(NC)[nH+]cn2)C1 ZINC000893278598 634045738 /nfs/dbraw/zinc/04/57/38/634045738.db2.gz HWOTXMQBYXKNPO-LLVKDONJSA-N 1 2 222.292 0.870 20 0 BCADLO CC[C@@]1(O)CCN(c2cc(NC)nc[nH+]2)C1 ZINC000893278598 634045742 /nfs/dbraw/zinc/04/57/42/634045742.db2.gz HWOTXMQBYXKNPO-LLVKDONJSA-N 1 2 222.292 0.870 20 0 BCADLO COCC1=CC[N@@H+]([C@H]2CCOC2=O)CC1 ZINC000185809166 634061824 /nfs/dbraw/zinc/06/18/24/634061824.db2.gz JISTWPRCINLYNU-JTQLQIEISA-N 1 2 211.261 0.580 20 0 BCADLO COCC1=CC[N@H+]([C@H]2CCOC2=O)CC1 ZINC000185809166 634061829 /nfs/dbraw/zinc/06/18/29/634061829.db2.gz JISTWPRCINLYNU-JTQLQIEISA-N 1 2 211.261 0.580 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000924127248 634108373 /nfs/dbraw/zinc/10/83/73/634108373.db2.gz WPVHPDSHMZLWNM-RKDXNWHRSA-N 1 2 222.244 0.742 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000296536862 634203219 /nfs/dbraw/zinc/20/32/19/634203219.db2.gz DRYQAZVKQAFAHE-RKDXNWHRSA-N 1 2 238.291 0.291 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000296536862 634203222 /nfs/dbraw/zinc/20/32/22/634203222.db2.gz DRYQAZVKQAFAHE-RKDXNWHRSA-N 1 2 238.291 0.291 20 0 BCADLO Cc1nc(NCC[NH+]2CCOCC2)cc(=O)[nH]1 ZINC000162627610 634236735 /nfs/dbraw/zinc/23/67/35/634236735.db2.gz YOSQXSXXTPDMRG-UHFFFAOYSA-N 1 2 238.291 0.235 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC(C)=O)C[N@H+]1C ZINC000893565403 635164531 /nfs/dbraw/zinc/16/45/31/635164531.db2.gz FMEAWIISOJIKTG-WPRPVWTQSA-N 1 2 215.249 0.185 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC(C)=O)C[N@@H+]1C ZINC000893565403 635164527 /nfs/dbraw/zinc/16/45/27/635164527.db2.gz FMEAWIISOJIKTG-WPRPVWTQSA-N 1 2 215.249 0.185 20 0 BCADLO CN(C)c1cc(N2CC[C@H](CO)C2)nc[nH+]1 ZINC000258776146 635197557 /nfs/dbraw/zinc/19/75/57/635197557.db2.gz QYIMMSAYROFRDF-VIFPVBQESA-N 1 2 222.292 0.361 20 0 BCADLO CN(C)c1cc(N2CC[C@H](CO)C2)[nH+]cn1 ZINC000258776146 635197560 /nfs/dbraw/zinc/19/75/60/635197560.db2.gz QYIMMSAYROFRDF-VIFPVBQESA-N 1 2 222.292 0.361 20 0 BCADLO CCCCOC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000228719246 635219084 /nfs/dbraw/zinc/21/90/84/635219084.db2.gz YOUZNZILUFODMP-VHSXEESVSA-N 1 2 217.309 0.936 20 0 BCADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1cnco1 ZINC001028057435 635339785 /nfs/dbraw/zinc/33/97/85/635339785.db2.gz JLRRQSWRBQBVAO-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1cnco1 ZINC001028057435 635339789 /nfs/dbraw/zinc/33/97/89/635339789.db2.gz JLRRQSWRBQBVAO-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO CN(C)c1cc(N2CCC(CO)CC2)nc[nH+]1 ZINC000258782970 635750249 /nfs/dbraw/zinc/75/02/49/635750249.db2.gz ZZBUCBZIZPQSJX-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO CN(C)c1cc(N2CCC(CO)CC2)[nH+]cn1 ZINC000258782970 635750254 /nfs/dbraw/zinc/75/02/54/635750254.db2.gz ZZBUCBZIZPQSJX-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ncnn21 ZINC000924898869 635754491 /nfs/dbraw/zinc/75/44/91/635754491.db2.gz ZPGZHWHBIFZBRH-HLTSFMKQSA-N 1 2 235.291 0.104 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ncnn21 ZINC000924898885 635754942 /nfs/dbraw/zinc/75/49/42/635754942.db2.gz ZPGZHWHBIFZBRH-VGMNWLOBSA-N 1 2 235.291 0.104 20 0 BCADLO C[C@H](O)[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894225280 635757516 /nfs/dbraw/zinc/75/75/16/635757516.db2.gz XANCSUNRLOTYGP-ONGXEEELSA-N 1 2 248.286 0.315 20 0 BCADLO C=CCNC(=S)NCCn1cc[nH+]c1 ZINC000048040938 635800681 /nfs/dbraw/zinc/80/06/81/635800681.db2.gz WBGKBGSMPFIFKU-UHFFFAOYSA-N 1 2 210.306 0.533 20 0 BCADLO COC(C)(C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000928600340 636176897 /nfs/dbraw/zinc/17/68/97/636176897.db2.gz RTZQETBCDPWZEE-MRVPVSSYSA-N 1 2 225.292 0.882 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](O)c1ccnn1C ZINC000896626939 636207215 /nfs/dbraw/zinc/20/72/15/636207215.db2.gz DCYGERWKBOULCT-SNVBAGLBSA-N 1 2 248.286 0.969 20 0 BCADLO Cc1nc[nH]c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907780 636251275 /nfs/dbraw/zinc/25/12/75/636251275.db2.gz RHTRPWCUXPPCAM-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000909577689 636282596 /nfs/dbraw/zinc/28/25/96/636282596.db2.gz ATZDFQABAMYDCR-WCBMZHEXSA-N 1 2 223.276 0.636 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000304261758 636322146 /nfs/dbraw/zinc/32/21/46/636322146.db2.gz DPJGMXPLZCQULA-SNVBAGLBSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000304261758 636322149 /nfs/dbraw/zinc/32/21/49/636322149.db2.gz DPJGMXPLZCQULA-SNVBAGLBSA-N 1 2 215.293 0.642 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)[C@H]1C ZINC000985831433 636423685 /nfs/dbraw/zinc/42/36/85/636423685.db2.gz HIOLPLSZFYSCBA-GMSGAONNSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000928911913 636502667 /nfs/dbraw/zinc/50/26/67/636502667.db2.gz QBZZBHFJYCFPPO-WCBMZHEXSA-N 1 2 223.276 0.114 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)/C=C/Cl)C1 ZINC000928933674 636538305 /nfs/dbraw/zinc/53/83/05/636538305.db2.gz NSYGZLCSNQRJQQ-MOVJSRMASA-N 1 2 246.738 0.964 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)/C=C/Cl)C1 ZINC000928933674 636538309 /nfs/dbraw/zinc/53/83/09/636538309.db2.gz NSYGZLCSNQRJQQ-MOVJSRMASA-N 1 2 246.738 0.964 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)c1csnn1 ZINC000872210395 636576346 /nfs/dbraw/zinc/57/63/46/636576346.db2.gz YEVBKBCDVCYXEW-YUMQZZPRSA-N 1 2 245.348 0.711 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CCOCN3)ccn12 ZINC000928946229 636603556 /nfs/dbraw/zinc/60/35/56/636603556.db2.gz GOAMHOJENLTQCF-UHFFFAOYSA-N 1 2 246.270 0.577 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C[C@H]1C ZINC000987633369 636657271 /nfs/dbraw/zinc/65/72/71/636657271.db2.gz QFIVYIHUXTVQCE-VXNVDRBHSA-N 1 2 240.332 0.637 20 0 BCADLO CCc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897865791 636839566 /nfs/dbraw/zinc/83/95/66/636839566.db2.gz MBODQZWFESEFCL-MRVPVSSYSA-N 1 2 237.307 0.078 20 0 BCADLO CCc1nc(CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897865791 636839569 /nfs/dbraw/zinc/83/95/69/636839569.db2.gz MBODQZWFESEFCL-MRVPVSSYSA-N 1 2 237.307 0.078 20 0 BCADLO COCC(=O)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923887606 636962551 /nfs/dbraw/zinc/96/25/51/636962551.db2.gz HHAZMEKWYTWHAP-LLVKDONJSA-N 1 2 243.303 0.618 20 0 BCADLO COCC(=O)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923887606 636962555 /nfs/dbraw/zinc/96/25/55/636962555.db2.gz HHAZMEKWYTWHAP-LLVKDONJSA-N 1 2 243.303 0.618 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC1(C)C ZINC000898887952 637061727 /nfs/dbraw/zinc/06/17/27/637061727.db2.gz GMEYOFXKWHBVJI-DTWKUNHWSA-N 1 2 237.303 0.616 20 0 BCADLO C[C@@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898888859 637063292 /nfs/dbraw/zinc/06/32/92/637063292.db2.gz QXKBIEHJLQYXCU-PSASIEDQSA-N 1 2 237.303 0.616 20 0 BCADLO CC(C)(O)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907214 637063573 /nfs/dbraw/zinc/06/35/73/637063573.db2.gz NTPPDIWTSJVWIN-UHFFFAOYSA-N 1 2 239.319 0.895 20 0 BCADLO C[C@H](O)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900934214 637217610 /nfs/dbraw/zinc/21/76/10/637217610.db2.gz SFEHKELDPGQFAN-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H](O)C2CCC2)[nH+]c1C ZINC000900999646 637226058 /nfs/dbraw/zinc/22/60/58/637226058.db2.gz INCCUWRATJWELM-LLVKDONJSA-N 1 2 237.303 0.804 20 0 BCADLO OCC(F)(F)C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903154014 637348631 /nfs/dbraw/zinc/34/86/31/637348631.db2.gz VCVPVGJTVLOKGD-RKDXNWHRSA-N 1 2 237.246 0.152 20 0 BCADLO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000904428840 637397879 /nfs/dbraw/zinc/39/78/79/637397879.db2.gz QCOMVUMVKIONPD-ZETCQYMHSA-N 1 2 230.699 0.375 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC ZINC000905145922 637653202 /nfs/dbraw/zinc/65/32/02/637653202.db2.gz SCJQJTOQWFOKEJ-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CC(F)(F)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905268765 637728556 /nfs/dbraw/zinc/72/85/56/637728556.db2.gz RKRXAKMFTKGJSR-SCZZXKLOSA-N 1 2 239.262 0.134 20 0 BCADLO CNC(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905283944 637737378 /nfs/dbraw/zinc/73/73/78/637737378.db2.gz ASKSTMDUIBSQOJ-UHFFFAOYSA-N 1 2 235.287 0.483 20 0 BCADLO Nc1ccc(Cn2cc([C@H]3CCOC3)nn2)c[nH+]1 ZINC000905818012 637944877 /nfs/dbraw/zinc/94/48/77/637944877.db2.gz ZFSCFOVCFSTYIT-JTQLQIEISA-N 1 2 245.286 0.808 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906130651 638068091 /nfs/dbraw/zinc/06/80/91/638068091.db2.gz PCYXMOMPMSPWSU-NEPJUHHUSA-N 1 2 249.314 0.814 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906283987 638126308 /nfs/dbraw/zinc/12/63/08/638126308.db2.gz WCJKZHBNYPTQRH-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO c1[nH]nc2c1CC[N@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906283987 638126311 /nfs/dbraw/zinc/12/63/11/638126311.db2.gz WCJKZHBNYPTQRH-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906268386 638130910 /nfs/dbraw/zinc/13/09/10/638130910.db2.gz BOQDKZFDSYAGEU-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906268386 638130913 /nfs/dbraw/zinc/13/09/13/638130913.db2.gz BOQDKZFDSYAGEU-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cn(C2CC2)nn1 ZINC000906301756 638136570 /nfs/dbraw/zinc/13/65/70/638136570.db2.gz ZHZCZMNHEQCTIQ-KCJUWKMLSA-N 1 2 249.318 0.227 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906296864 638136688 /nfs/dbraw/zinc/13/66/88/638136688.db2.gz PORPBIGCRGOURU-SKDRFNHKSA-N 1 2 234.303 0.427 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906296864 638136693 /nfs/dbraw/zinc/13/66/93/638136693.db2.gz PORPBIGCRGOURU-SKDRFNHKSA-N 1 2 234.303 0.427 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906316419 638142944 /nfs/dbraw/zinc/14/29/44/638142944.db2.gz UBWBUHKHYJBFAC-JOYOIKCWSA-N 1 2 234.303 0.570 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906316419 638142953 /nfs/dbraw/zinc/14/29/53/638142953.db2.gz UBWBUHKHYJBFAC-JOYOIKCWSA-N 1 2 234.303 0.570 20 0 BCADLO CCCC[NH+]1CC(O)(c2ncnn2C)C1 ZINC000906537838 638203289 /nfs/dbraw/zinc/20/32/89/638203289.db2.gz NGHDDXLLAZJAAI-UHFFFAOYSA-N 1 2 210.281 0.118 20 0 BCADLO O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000906698581 638233471 /nfs/dbraw/zinc/23/34/71/638233471.db2.gz YVNBRNZJNHVJFT-YUSALJHKSA-N 1 2 245.282 0.492 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000906882982 638260829 /nfs/dbraw/zinc/26/08/29/638260829.db2.gz KMDSETHTWUPYER-BKDNQFJXSA-N 1 2 233.271 0.559 20 0 BCADLO C[C@H](O)[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907264981 638336251 /nfs/dbraw/zinc/33/62/51/638336251.db2.gz OQVPFSYJKPRGRM-WDEREUQCSA-N 1 2 249.314 0.723 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CNc1cccc[nH+]1 ZINC000907311769 638338122 /nfs/dbraw/zinc/33/81/22/638338122.db2.gz DZFLHFLXOAFVJH-ZJUUUORDSA-N 1 2 237.303 0.769 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907311766 638338776 /nfs/dbraw/zinc/33/87/76/638338776.db2.gz DZFLHFLXOAFVJH-NXEZZACHSA-N 1 2 237.303 0.769 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907297437 638345467 /nfs/dbraw/zinc/34/54/67/638345467.db2.gz ZTQZCHLHHHDUJA-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)OCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907357503 638360325 /nfs/dbraw/zinc/36/03/25/638360325.db2.gz XEANIRAMSRNGDS-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO CC(C)(O)CCNC(=O)CNc1cccc[nH+]1 ZINC000907504155 638394679 /nfs/dbraw/zinc/39/46/79/638394679.db2.gz LUWYUEIFFFVURL-UHFFFAOYSA-N 1 2 237.303 0.771 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@]12CCOC2=O ZINC000907538718 638398472 /nfs/dbraw/zinc/39/84/72/638398472.db2.gz VVPQHKSKGJBVIS-LBPRGKRZSA-N 1 2 249.270 0.260 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCC1=O ZINC000907512139 638399917 /nfs/dbraw/zinc/39/99/17/638399917.db2.gz UKFQFBDTPXJYPV-MRVPVSSYSA-N 1 2 221.260 0.390 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCC1=O ZINC000907512141 638400179 /nfs/dbraw/zinc/40/01/79/638400179.db2.gz UKFQFBDTPXJYPV-QMMMGPOBSA-N 1 2 221.260 0.390 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907546978 638403239 /nfs/dbraw/zinc/40/32/39/638403239.db2.gz DCRUDWFAVUAFHL-LLVKDONJSA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1CCO ZINC000907553175 638405087 /nfs/dbraw/zinc/40/50/87/638405087.db2.gz GSWNFKARELHDKB-KOLCDFICSA-N 1 2 237.303 0.620 20 0 BCADLO CCOC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907593516 638415389 /nfs/dbraw/zinc/41/53/89/638415389.db2.gz NLYISKXUJRHOKU-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@@H]1CO ZINC000907632238 638426331 /nfs/dbraw/zinc/42/63/31/638426331.db2.gz NKAAJJWWAQMDMH-GHMZBOCLSA-N 1 2 249.314 0.723 20 0 BCADLO CCN1CN(C(=O)CNc2cccc[nH+]2)CC1=O ZINC000907715587 638454945 /nfs/dbraw/zinc/45/49/45/638454945.db2.gz WFTKOGOROXTILK-UHFFFAOYSA-N 1 2 248.286 0.142 20 0 BCADLO CC(C)C1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907761148 638462818 /nfs/dbraw/zinc/46/28/18/638462818.db2.gz NJOYBNVGGPADAM-UHFFFAOYSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907873718 638505262 /nfs/dbraw/zinc/50/52/62/638505262.db2.gz GNOGDOVITBPQJT-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO Cc1nnc(NC(=O)Cc2c[nH]c[nH+]2)n1C1CC1 ZINC000908086886 638562075 /nfs/dbraw/zinc/56/20/75/638562075.db2.gz IHIVABVSIWHOEL-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCF ZINC000908146964 638572239 /nfs/dbraw/zinc/57/22/39/638572239.db2.gz WJSCBPFYRJWBSR-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO CNc1cc(N2CC[C@H](CO)C2)nc[nH+]1 ZINC000166168997 638592657 /nfs/dbraw/zinc/59/26/57/638592657.db2.gz PCCUHZQAESGBFK-QMMMGPOBSA-N 1 2 208.265 0.337 20 0 BCADLO CNc1cc(N2CC[C@H](CO)C2)[nH+]cn1 ZINC000166168997 638592662 /nfs/dbraw/zinc/59/26/62/638592662.db2.gz PCCUHZQAESGBFK-QMMMGPOBSA-N 1 2 208.265 0.337 20 0 BCADLO CCOC1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908213147 638615419 /nfs/dbraw/zinc/61/54/19/638615419.db2.gz ZGGHXMAVWGBHQW-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000908387318 638666687 /nfs/dbraw/zinc/66/66/87/638666687.db2.gz KVNVUGYHCCSQRB-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO CCOCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908417148 638701171 /nfs/dbraw/zinc/70/11/71/638701171.db2.gz DVGGGEBVOAATIJ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC(=O)C1 ZINC000908465469 638726602 /nfs/dbraw/zinc/72/66/02/638726602.db2.gz JDPWDQVHTNDDLB-UHFFFAOYSA-N 1 2 247.298 0.610 20 0 BCADLO O=C(NC1CC(=O)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000908465463 638726625 /nfs/dbraw/zinc/72/66/25/638726625.db2.gz NEBQNMAPTMQRFP-QMMMGPOBSA-N 1 2 233.271 0.293 20 0 BCADLO C[C@@H](C(=O)NC1CC(=O)C1)[NH+]1CCSCC1 ZINC000908472373 638738337 /nfs/dbraw/zinc/73/83/37/638738337.db2.gz CELJJKTZGQSBIG-QMMMGPOBSA-N 1 2 242.344 0.271 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC2(C1)CCOC2 ZINC000908456224 638743021 /nfs/dbraw/zinc/74/30/21/638743021.db2.gz WZUOWAJYACTQRF-UHFFFAOYSA-N 1 2 247.298 0.742 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NOCC[NH+](C)C ZINC000908527468 638997949 /nfs/dbraw/zinc/99/79/49/638997949.db2.gz FUHKWNCOFHYMLK-KXUCPTDWSA-N 1 2 230.308 0.267 20 0 BCADLO CC(=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908537600 639006408 /nfs/dbraw/zinc/00/64/08/639006408.db2.gz NWCCALIIKXTEDW-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000908758376 639061848 /nfs/dbraw/zinc/06/18/48/639061848.db2.gz JLZMAOGYTLIKQK-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@@H](NC(=O)CNc1cccc[nH+]1)[C@H](C)O ZINC000909024963 639127917 /nfs/dbraw/zinc/12/79/17/639127917.db2.gz JBDDGJPXIKMJMV-VHSXEESVSA-N 1 2 237.303 0.769 20 0 BCADLO CCc1ncc(CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000909249232 639183650 /nfs/dbraw/zinc/18/36/50/639183650.db2.gz PUZKXXKNBNUINX-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO CC[C@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000909929092 639280234 /nfs/dbraw/zinc/28/02/34/639280234.db2.gz FZVKMWDHWWMWPW-NSHDSACASA-N 1 2 224.260 0.868 20 0 BCADLO C[C@H](C(=O)N1CC=CC1)[NH+]1CCN(C)CC1 ZINC000910009100 639322994 /nfs/dbraw/zinc/32/29/94/639322994.db2.gz FDEIKVUEXBCVIW-LLVKDONJSA-N 1 2 223.320 0.021 20 0 BCADLO Cn1c[nH+]c(CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000927524648 639373005 /nfs/dbraw/zinc/37/30/05/639373005.db2.gz BGZNFZXOGUOIPH-UHFFFAOYSA-N 1 2 236.275 0.293 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000910944622 639547811 /nfs/dbraw/zinc/54/78/11/639547811.db2.gz VLGXTZZTSZXCIX-UHFFFAOYSA-N 1 2 219.248 0.876 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cc(CO)ccn1 ZINC000911240408 639601251 /nfs/dbraw/zinc/60/12/51/639601251.db2.gz UNBDRSXIONJEII-UHFFFAOYSA-N 1 2 246.270 0.489 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000930243262 639652720 /nfs/dbraw/zinc/65/27/20/639652720.db2.gz CGNKXSDQFXOZCU-UTLUCORTSA-N 1 2 230.283 0.829 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000930243262 639652728 /nfs/dbraw/zinc/65/27/28/639652728.db2.gz CGNKXSDQFXOZCU-UTLUCORTSA-N 1 2 230.283 0.829 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@@H]1C1CCC1 ZINC000911543545 639662518 /nfs/dbraw/zinc/66/25/18/639662518.db2.gz VRBJMIIERDJWJZ-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@H]1C1CCC1 ZINC000911543547 639662994 /nfs/dbraw/zinc/66/29/94/639662994.db2.gz VRBJMIIERDJWJZ-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911572801 639669570 /nfs/dbraw/zinc/66/95/70/639669570.db2.gz IBIMEWZNHWHBCG-IKSRRIRTSA-N 1 2 235.287 0.251 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911572803 639670579 /nfs/dbraw/zinc/67/05/79/639670579.db2.gz IBIMEWZNHWHBCG-JJHDRXPHSA-N 1 2 235.287 0.251 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1(O)CCCC1 ZINC000930288327 639681530 /nfs/dbraw/zinc/68/15/30/639681530.db2.gz UULZVVHCGGAFNP-ZJUUUORDSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C1(O)CCCC1 ZINC000930288327 639681534 /nfs/dbraw/zinc/68/15/34/639681534.db2.gz UULZVVHCGGAFNP-ZJUUUORDSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCc1nnc(C)o1 ZINC000930304259 639693537 /nfs/dbraw/zinc/69/35/37/639693537.db2.gz VXZLHTREZAVORN-ZETCQYMHSA-N 1 2 227.264 0.414 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCc1nnc(C)o1 ZINC000930304259 639693542 /nfs/dbraw/zinc/69/35/42/639693542.db2.gz VXZLHTREZAVORN-ZETCQYMHSA-N 1 2 227.264 0.414 20 0 BCADLO C[C@@H](O)[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000930308323 639696891 /nfs/dbraw/zinc/69/68/91/639696891.db2.gz WVZOMESNINXDQQ-LDYMZIIASA-N 1 2 208.261 0.139 20 0 BCADLO C[C@@H](O)[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000930308323 639696895 /nfs/dbraw/zinc/69/68/95/639696895.db2.gz WVZOMESNINXDQQ-LDYMZIIASA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930468603 639769073 /nfs/dbraw/zinc/76/90/73/639769073.db2.gz FTFBOJOVUMLFLO-YIZRAAEISA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930468603 639769079 /nfs/dbraw/zinc/76/90/79/639769079.db2.gz FTFBOJOVUMLFLO-YIZRAAEISA-N 1 2 239.262 0.084 20 0 BCADLO CCn1cc(C[N@H+](C)C[C@@H](C)OC)nn1 ZINC000930476014 639771696 /nfs/dbraw/zinc/77/16/96/639771696.db2.gz LRUYQPKBCZNUGY-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO CCn1cc(C[N@@H+](C)C[C@@H](C)OC)nn1 ZINC000930476014 639771708 /nfs/dbraw/zinc/77/17/08/639771708.db2.gz LRUYQPKBCZNUGY-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOC1CC1 ZINC000930490453 639774793 /nfs/dbraw/zinc/77/47/93/639774793.db2.gz SGEOLOJLEKREKO-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1CCOC1CC1 ZINC000930490453 639774800 /nfs/dbraw/zinc/77/48/00/639774800.db2.gz SGEOLOJLEKREKO-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H](CO)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499072 639784870 /nfs/dbraw/zinc/78/48/70/639784870.db2.gz UKKXYJCYMNEVKU-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@H](CO)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499072 639784876 /nfs/dbraw/zinc/78/48/76/639784876.db2.gz UKKXYJCYMNEVKU-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nn(C)cc3C)C[C@@H]21 ZINC000930544001 639809927 /nfs/dbraw/zinc/80/99/27/639809927.db2.gz JHQPQVMXYQVRGP-IAZYJMLFSA-N 1 2 249.314 0.579 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nn(C)cc3C)C[C@@H]21 ZINC000930544001 639809929 /nfs/dbraw/zinc/80/99/29/639809929.db2.gz JHQPQVMXYQVRGP-IAZYJMLFSA-N 1 2 249.314 0.579 20 0 BCADLO C[N@H+](C[C@H]1COCCO1)[C@H]1CC(C)(C)OC1=O ZINC000930562098 639811057 /nfs/dbraw/zinc/81/10/57/639811057.db2.gz LASUQJHBFXJGCA-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO C[N@@H+](C[C@H]1COCCO1)[C@H]1CC(C)(C)OC1=O ZINC000930562098 639811058 /nfs/dbraw/zinc/81/10/58/639811058.db2.gz LASUQJHBFXJGCA-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+](C1CC1)C1COC1 ZINC000930598388 639816156 /nfs/dbraw/zinc/81/61/56/639816156.db2.gz QIOFLXRRAYYYPW-WEVVVXLNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+](C1CC1)C1COC1 ZINC000930598388 639816157 /nfs/dbraw/zinc/81/61/57/639816157.db2.gz QIOFLXRRAYYYPW-WEVVVXLNSA-N 1 2 225.288 0.969 20 0 BCADLO CON1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000930660618 639850096 /nfs/dbraw/zinc/85/00/96/639850096.db2.gz AMGZZMLFUOFTDB-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CON1CC[NH+](CCc2nnc(C)o2)CC1 ZINC000930660655 639850935 /nfs/dbraw/zinc/85/09/35/639850935.db2.gz BMLNXQDJGAESMJ-UHFFFAOYSA-N 1 2 226.280 0.100 20 0 BCADLO CC(C)CCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734706 639879604 /nfs/dbraw/zinc/87/96/04/639879604.db2.gz OUKJHZIWZOYZIB-UHFFFAOYSA-N 1 2 220.338 0.395 20 0 BCADLO NS(=O)(=O)C1C[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000930734924 639886558 /nfs/dbraw/zinc/88/65/58/639886558.db2.gz SNFCGHJZPZFZGB-SNVBAGLBSA-N 1 2 244.360 0.848 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930740521 639888137 /nfs/dbraw/zinc/88/81/37/639888137.db2.gz ZOFHMEFALLISOQ-NEPJUHHUSA-N 1 2 247.335 0.121 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930740521 639888140 /nfs/dbraw/zinc/88/81/40/639888140.db2.gz ZOFHMEFALLISOQ-NEPJUHHUSA-N 1 2 247.335 0.121 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(=O)CC12CCC2 ZINC000911997578 639918687 /nfs/dbraw/zinc/91/86/87/639918687.db2.gz RPWAQDKIEHZQPO-UHFFFAOYSA-N 1 2 247.298 0.997 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H]1C(F)(F)F ZINC000912080765 639949289 /nfs/dbraw/zinc/94/92/89/639949289.db2.gz KGUGGYMUJLRRKH-QMMMGPOBSA-N 1 2 249.192 0.699 20 0 BCADLO C[C@H](O)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930871027 639953632 /nfs/dbraw/zinc/95/36/32/639953632.db2.gz MIPCAWHOVDOMMX-KWQFWETISA-N 1 2 215.293 0.831 20 0 BCADLO C[C@@H](O)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930871026 639954611 /nfs/dbraw/zinc/95/46/11/639954611.db2.gz MIPCAWHOVDOMMX-KCJUWKMLSA-N 1 2 215.293 0.831 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)CO ZINC000930867198 639959962 /nfs/dbraw/zinc/95/99/62/639959962.db2.gz OFONDHFLMLQDFK-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)CO ZINC000930867198 639959966 /nfs/dbraw/zinc/95/99/66/639959966.db2.gz OFONDHFLMLQDFK-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO CNC(=O)CCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930871818 639962140 /nfs/dbraw/zinc/96/21/40/639962140.db2.gz FVRINUOICXSXHA-LBPRGKRZSA-N 1 2 242.319 0.586 20 0 BCADLO CC1(C)C[C@](C)([NH2+]CCCCO)C(=O)O1 ZINC000930872937 639965541 /nfs/dbraw/zinc/96/55/41/639965541.db2.gz BKHDZTDVQWJWSL-NSHDSACASA-N 1 2 215.293 0.833 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)C1(O)CCC1 ZINC000930916725 639989564 /nfs/dbraw/zinc/98/95/64/639989564.db2.gz RLCRPXVRWTXHRB-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)C1(O)CCC1 ZINC000930916725 639989568 /nfs/dbraw/zinc/98/95/68/639989568.db2.gz RLCRPXVRWTXHRB-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)C1(O)CCC1 ZINC000930916725 639989575 /nfs/dbraw/zinc/98/95/75/639989575.db2.gz RLCRPXVRWTXHRB-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)C1(O)CCC1 ZINC000930916725 639989579 /nfs/dbraw/zinc/98/95/79/639989579.db2.gz RLCRPXVRWTXHRB-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CCO1 ZINC000931035622 640028456 /nfs/dbraw/zinc/02/84/56/640028456.db2.gz QVASAHDMAZIRLV-KXNHARMFSA-N 1 2 243.303 0.095 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CCO1 ZINC000931035622 640028457 /nfs/dbraw/zinc/02/84/57/640028457.db2.gz QVASAHDMAZIRLV-KXNHARMFSA-N 1 2 243.303 0.095 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nncs2)C[C@H]1CO ZINC000931099218 640063781 /nfs/dbraw/zinc/06/37/81/640063781.db2.gz AMKKELWEWIDPHC-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nncs2)C[C@H]1CO ZINC000931099218 640063787 /nfs/dbraw/zinc/06/37/87/640063787.db2.gz AMKKELWEWIDPHC-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO OC[C@H](O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000931165974 640083396 /nfs/dbraw/zinc/08/33/96/640083396.db2.gz UVOOXAHZVSSKRA-LLVKDONJSA-N 1 2 209.245 0.061 20 0 BCADLO OC[C@H](O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000931165974 640083400 /nfs/dbraw/zinc/08/34/00/640083400.db2.gz UVOOXAHZVSSKRA-LLVKDONJSA-N 1 2 209.245 0.061 20 0 BCADLO O=C(NC[C@@H]1CC[N@H+]1CCF)C1=CCOCC1 ZINC001038192225 711482251 /nfs/dbraw/zinc/48/22/51/711482251.db2.gz VWJZXAUNKAWSLV-NSHDSACASA-N 1 2 242.294 0.493 20 0 BCADLO O=C(NC[C@@H]1CC[N@@H+]1CCF)C1=CCOCC1 ZINC001038192225 711482253 /nfs/dbraw/zinc/48/22/53/711482253.db2.gz VWJZXAUNKAWSLV-NSHDSACASA-N 1 2 242.294 0.493 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000912516303 640105908 /nfs/dbraw/zinc/10/59/08/640105908.db2.gz LMWAWFWQZPWJBM-PSASIEDQSA-N 1 2 223.276 0.324 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931232354 640106572 /nfs/dbraw/zinc/10/65/72/640106572.db2.gz BDSMMVMKPHNILT-DTWKUNHWSA-N 1 2 233.333 0.140 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931232354 640106578 /nfs/dbraw/zinc/10/65/78/640106578.db2.gz BDSMMVMKPHNILT-DTWKUNHWSA-N 1 2 233.333 0.140 20 0 BCADLO C[N@H+](CCCCCF)C1CS(=O)(=O)C1 ZINC000931236011 640111124 /nfs/dbraw/zinc/11/11/24/640111124.db2.gz OQGZZFYCSQRHAH-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO C[N@@H+](CCCCCF)C1CS(=O)(=O)C1 ZINC000931236011 640111127 /nfs/dbraw/zinc/11/11/27/640111127.db2.gz OQGZZFYCSQRHAH-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1C ZINC000912585079 640121159 /nfs/dbraw/zinc/12/11/59/640121159.db2.gz OTLJTOPRHBZCFB-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1C ZINC000912585078 640123025 /nfs/dbraw/zinc/12/30/25/640123025.db2.gz OTLJTOPRHBZCFB-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO CC(C)(CNC(=O)Cn1cncn1)n1cc[nH+]c1 ZINC000912616836 640125374 /nfs/dbraw/zinc/12/53/74/640125374.db2.gz NNEFCJSJEWPSLL-UHFFFAOYSA-N 1 2 248.290 0.026 20 0 BCADLO COC(=O)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912616551 640125525 /nfs/dbraw/zinc/12/55/25/640125525.db2.gz JQFAAFMDJXINKE-UHFFFAOYSA-N 1 2 239.275 0.298 20 0 BCADLO C/C(Cl)=C\C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912611229 640135408 /nfs/dbraw/zinc/13/54/08/640135408.db2.gz ABIBBZGXMCHKJR-DKCNVOGISA-N 1 2 243.694 0.712 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613827 640136272 /nfs/dbraw/zinc/13/62/72/640136272.db2.gz DGZUKSMNJHMPMX-LWTINBJPSA-N 1 2 237.303 0.671 20 0 BCADLO C[NH+](C)C1(C)CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000931354211 640168123 /nfs/dbraw/zinc/16/81/23/640168123.db2.gz HUCRWWTWBMMBOK-UHFFFAOYSA-N 1 2 239.323 0.426 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912736215 640185302 /nfs/dbraw/zinc/18/53/02/640185302.db2.gz PSCLOMKUJJEQCC-SGRPLGENSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912736215 640185308 /nfs/dbraw/zinc/18/53/08/640185308.db2.gz PSCLOMKUJJEQCC-SGRPLGENSA-N 1 2 230.283 0.385 20 0 BCADLO C[N@@H+]1CCN(C(=O)CSC2CC2)[C@H](CO)C1 ZINC000912737212 640185974 /nfs/dbraw/zinc/18/59/74/640185974.db2.gz IGDOZZKIRCWGTP-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO C[N@H+]1CCN(C(=O)CSC2CC2)[C@H](CO)C1 ZINC000912737212 640185977 /nfs/dbraw/zinc/18/59/77/640185977.db2.gz IGDOZZKIRCWGTP-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO C[N@@H+]1CCN(C(=O)CSC2CC2)[C@@H](CO)C1 ZINC000912737211 640186643 /nfs/dbraw/zinc/18/66/43/640186643.db2.gz IGDOZZKIRCWGTP-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO C[N@H+]1CCN(C(=O)CSC2CC2)[C@@H](CO)C1 ZINC000912737211 640186648 /nfs/dbraw/zinc/18/66/48/640186648.db2.gz IGDOZZKIRCWGTP-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(F)CCCC2)[C@H](CO)C1 ZINC000912740331 640190095 /nfs/dbraw/zinc/19/00/95/640190095.db2.gz VBKHNAWCIFBQHL-JTQLQIEISA-N 1 2 244.310 0.404 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(F)CCCC2)[C@H](CO)C1 ZINC000912740331 640190102 /nfs/dbraw/zinc/19/01/02/640190102.db2.gz VBKHNAWCIFBQHL-JTQLQIEISA-N 1 2 244.310 0.404 20 0 BCADLO CCN(C)C(=O)C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458659 640216607 /nfs/dbraw/zinc/21/66/07/640216607.db2.gz JNWITHBRHPBCLA-SECBINFHSA-N 1 2 236.319 0.807 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458659 640216612 /nfs/dbraw/zinc/21/66/12/640216612.db2.gz JNWITHBRHPBCLA-SECBINFHSA-N 1 2 236.319 0.807 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2C)Cc2c[nH]nc21 ZINC000931459682 640216826 /nfs/dbraw/zinc/21/68/26/640216826.db2.gz SDGMZSNCNCCRFL-QMMMGPOBSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2C)Cc2c[nH]nc21 ZINC000931459682 640216831 /nfs/dbraw/zinc/21/68/31/640216831.db2.gz SDGMZSNCNCCRFL-QMMMGPOBSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462602 640224864 /nfs/dbraw/zinc/22/48/64/640224864.db2.gz RPKAOQJZCOIVKO-SSDOTTSWSA-N 1 2 218.264 0.647 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462602 640224866 /nfs/dbraw/zinc/22/48/66/640224866.db2.gz RPKAOQJZCOIVKO-SSDOTTSWSA-N 1 2 218.264 0.647 20 0 BCADLO COC1(OC)CC[N@H+](Cc2ccon2)C[C@H]1O ZINC000931632975 640297525 /nfs/dbraw/zinc/29/75/25/640297525.db2.gz DZGGMEHAPTWSGO-SNVBAGLBSA-N 1 2 242.275 0.230 20 0 BCADLO COC1(OC)CC[N@@H+](Cc2ccon2)C[C@H]1O ZINC000931632975 640297531 /nfs/dbraw/zinc/29/75/31/640297531.db2.gz DZGGMEHAPTWSGO-SNVBAGLBSA-N 1 2 242.275 0.230 20 0 BCADLO COC(=O)c1cncc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000931703385 640328470 /nfs/dbraw/zinc/32/84/70/640328470.db2.gz ITCNQQGALYSROE-GFCCVEGCSA-N 1 2 248.282 0.601 20 0 BCADLO COC(=O)c1cncc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000931703385 640328473 /nfs/dbraw/zinc/32/84/73/640328473.db2.gz ITCNQQGALYSROE-GFCCVEGCSA-N 1 2 248.282 0.601 20 0 BCADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCS(C)(=O)=O ZINC000931727136 640343580 /nfs/dbraw/zinc/34/35/80/640343580.db2.gz UIJSOZAZYGTTAN-WDEREUQCSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCS(C)(=O)=O ZINC000931727136 640343589 /nfs/dbraw/zinc/34/35/89/640343589.db2.gz UIJSOZAZYGTTAN-WDEREUQCSA-N 1 2 246.376 0.200 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931746389 640343821 /nfs/dbraw/zinc/34/38/21/640343821.db2.gz HIHXNZDZINKFCT-ZDCRXTMVSA-N 1 2 245.319 0.266 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931746389 640343829 /nfs/dbraw/zinc/34/38/29/640343829.db2.gz HIHXNZDZINKFCT-ZDCRXTMVSA-N 1 2 245.319 0.266 20 0 BCADLO Cc1nnsc1[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747306 640346186 /nfs/dbraw/zinc/34/61/86/640346186.db2.gz SIDPEQKSLMTNOE-DJLDLDEBSA-N 1 2 243.332 0.599 20 0 BCADLO Cc1nnsc1[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931747306 640346190 /nfs/dbraw/zinc/34/61/90/640346190.db2.gz SIDPEQKSLMTNOE-DJLDLDEBSA-N 1 2 243.332 0.599 20 0 BCADLO CC[C@H](CO)[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000931756632 640352178 /nfs/dbraw/zinc/35/21/78/640352178.db2.gz LAWVKEZARIVNGE-GMTAPVOTSA-N 1 2 245.319 0.458 20 0 BCADLO CSC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913544314 640392081 /nfs/dbraw/zinc/39/20/81/640392081.db2.gz BMJOGLCVGXMDMG-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO CSC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913544314 640392088 /nfs/dbraw/zinc/39/20/88/640392088.db2.gz BMJOGLCVGXMDMG-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544834 640393692 /nfs/dbraw/zinc/39/36/92/640393692.db2.gz NLLZQAAUPZGJOG-ZJUUUORDSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544834 640393695 /nfs/dbraw/zinc/39/36/95/640393695.db2.gz NLLZQAAUPZGJOG-ZJUUUORDSA-N 1 2 232.299 0.115 20 0 BCADLO Cc1[nH]ccc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550394 640395097 /nfs/dbraw/zinc/39/50/97/640395097.db2.gz SYXRUMWPCNEVHJ-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cc1[nH]ccc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913550394 640395107 /nfs/dbraw/zinc/39/51/07/640395107.db2.gz SYXRUMWPCNEVHJ-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000931940786 640399312 /nfs/dbraw/zinc/39/93/12/640399312.db2.gz ZQZXNJIIXSSOCN-XPUUQOCRSA-N 1 2 224.264 0.041 20 0 BCADLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000931940786 640399317 /nfs/dbraw/zinc/39/93/17/640399317.db2.gz ZQZXNJIIXSSOCN-XPUUQOCRSA-N 1 2 224.264 0.041 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931949005 640403102 /nfs/dbraw/zinc/40/31/02/640403102.db2.gz JMBODMMZYVKGJT-SECBINFHSA-N 1 2 238.291 0.303 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931949005 640403109 /nfs/dbraw/zinc/40/31/09/640403109.db2.gz JMBODMMZYVKGJT-SECBINFHSA-N 1 2 238.291 0.303 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344362 640486495 /nfs/dbraw/zinc/48/64/95/640486495.db2.gz WGXIKXYZEBFTRO-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932344362 640486500 /nfs/dbraw/zinc/48/65/00/640486500.db2.gz WGXIKXYZEBFTRO-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCO[C@H](C)CC1 ZINC000932345995 640486675 /nfs/dbraw/zinc/48/66/75/640486675.db2.gz KIRULQNUMGEULJ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCO[C@H](C)CC1 ZINC000932345995 640486681 /nfs/dbraw/zinc/48/66/81/640486681.db2.gz KIRULQNUMGEULJ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CC(=O)NC1C[NH+](CCc2scnc2C)C1 ZINC001030038621 640527139 /nfs/dbraw/zinc/52/71/39/640527139.db2.gz NZHSCBHPPZEELA-UHFFFAOYSA-N 1 2 239.344 0.814 20 0 BCADLO CC(=O)NC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001030036603 640528962 /nfs/dbraw/zinc/52/89/62/640528962.db2.gz DRMLRLFTACHJND-UHFFFAOYSA-N 1 2 236.319 0.320 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001030039612 640530555 /nfs/dbraw/zinc/53/05/55/640530555.db2.gz IPBQSFHMJMJJLA-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3CC3)C2)O1 ZINC001030040475 640533995 /nfs/dbraw/zinc/53/39/95/640533995.db2.gz SVRSXVIJVCHCHL-SKDRFNHKSA-N 1 2 238.331 0.764 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1CCCC1 ZINC001030044206 640537029 /nfs/dbraw/zinc/53/70/29/640537029.db2.gz OTYLDMDUIMSVHI-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO COCC[NH+]1CC(NC(=O)CC2CC2)C1 ZINC001030045484 640537837 /nfs/dbraw/zinc/53/78/37/640537837.db2.gz VUFFPKRMAUBRKW-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO Cn1cc(C(=O)NCCc2[nH]cc[nH+]2)cc1C=O ZINC000932475437 640542712 /nfs/dbraw/zinc/54/27/12/640542712.db2.gz PKNLQBOJGXLARD-UHFFFAOYSA-N 1 2 246.270 0.533 20 0 BCADLO CC[C@@H](C[NH+]1CC(NC(=O)C(C)(C)F)C1)OC ZINC001030048976 640546347 /nfs/dbraw/zinc/54/63/47/640546347.db2.gz VXTNXYZIHQZBRZ-JTQLQIEISA-N 1 2 246.326 0.960 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cccnc1 ZINC001030054174 640552020 /nfs/dbraw/zinc/55/20/20/640552020.db2.gz KZCNQRNLNAKINA-UHFFFAOYSA-N 1 2 237.278 0.855 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030056360 640552663 /nfs/dbraw/zinc/55/26/63/640552663.db2.gz OVJXWLHVYVEXKP-UHFFFAOYSA-N 1 2 205.261 0.516 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030073702 640578600 /nfs/dbraw/zinc/57/86/00/640578600.db2.gz LAIPPONQDKNPLW-PSASIEDQSA-N 1 2 212.293 0.089 20 0 BCADLO CCn1cc(CC(=O)Nc2cc[nH+]c(C)c2)nn1 ZINC000932606969 640583588 /nfs/dbraw/zinc/58/35/88/640583588.db2.gz NPDSCWKISSOXQS-UHFFFAOYSA-N 1 2 245.286 0.605 20 0 BCADLO Cc1occc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030087250 640584945 /nfs/dbraw/zinc/58/49/45/640584945.db2.gz QOEMMUNIFWHWAV-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000932639146 640592950 /nfs/dbraw/zinc/59/29/50/640592950.db2.gz MEQIKFOVDOTQOE-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000932639146 640592955 /nfs/dbraw/zinc/59/29/55/640592955.db2.gz MEQIKFOVDOTQOE-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO Cc1nc(NC[C@@H](O)c2cnn(C)c2)cc[nH+]1 ZINC000078375026 640597487 /nfs/dbraw/zinc/59/74/87/640597487.db2.gz KFAYIVDSCXVBGG-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030113743 640605692 /nfs/dbraw/zinc/60/56/92/640605692.db2.gz VSFSRQZYLXVVHN-SECBINFHSA-N 1 2 214.309 0.478 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cn[nH]c1 ZINC001030129174 640621870 /nfs/dbraw/zinc/62/18/70/640621870.db2.gz LVBWDJLUIKFPMJ-UHFFFAOYSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cocn1 ZINC001030153166 640640728 /nfs/dbraw/zinc/64/07/28/640640728.db2.gz QZUDKKKLBHTSOA-UHFFFAOYSA-N 1 2 227.239 0.448 20 0 BCADLO Cc1nocc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935298 640648087 /nfs/dbraw/zinc/64/80/87/640648087.db2.gz XMLMMEUGWUVUAE-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO Cc1nocc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935298 640648094 /nfs/dbraw/zinc/64/80/94/640648094.db2.gz XMLMMEUGWUVUAE-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO CCN(C#N)CC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936664 640648735 /nfs/dbraw/zinc/64/87/35/640648735.db2.gz AVGTWDRITFHMBG-UHFFFAOYSA-N 1 2 236.319 0.272 20 0 BCADLO CCN(C#N)CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936664 640648740 /nfs/dbraw/zinc/64/87/40/640648740.db2.gz AVGTWDRITFHMBG-UHFFFAOYSA-N 1 2 236.319 0.272 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1CC=CC1 ZINC001030174967 640658126 /nfs/dbraw/zinc/65/81/26/640658126.db2.gz JVKAXTYSDFQLNP-UHFFFAOYSA-N 1 2 224.304 0.135 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000932972762 640657883 /nfs/dbraw/zinc/65/78/83/640657883.db2.gz IGTYJCGTTCKCIM-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000932972762 640657890 /nfs/dbraw/zinc/65/78/90/640657890.db2.gz IGTYJCGTTCKCIM-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO Cc1ccncc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030177857 640663461 /nfs/dbraw/zinc/66/34/61/640663461.db2.gz WUCHQNHZQSKHGJ-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030189987 640669805 /nfs/dbraw/zinc/66/98/05/640669805.db2.gz FQZBQIGQESKUME-VHSXEESVSA-N 1 2 240.347 0.868 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC001030197882 640675938 /nfs/dbraw/zinc/67/59/38/640675938.db2.gz CXEJDVUOOZLEIT-UHFFFAOYSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030205483 640680497 /nfs/dbraw/zinc/68/04/97/640680497.db2.gz FMGLPZTUCGHNSS-KYHHOPLUSA-N 1 2 226.320 0.214 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933212673 640680746 /nfs/dbraw/zinc/68/07/46/640680746.db2.gz HZHKFPMEHNSGSN-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933212673 640680748 /nfs/dbraw/zinc/68/07/48/640680748.db2.gz HZHKFPMEHNSGSN-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC001030206159 640683995 /nfs/dbraw/zinc/68/39/95/640683995.db2.gz XVEVOEZLXJHGCL-ZETCQYMHSA-N 1 2 248.273 0.213 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)CC ZINC000933225353 640685553 /nfs/dbraw/zinc/68/55/53/640685553.db2.gz SVUXECOHSFFFLM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)CC ZINC000933225353 640685556 /nfs/dbraw/zinc/68/55/56/640685556.db2.gz SVUXECOHSFFFLM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)CC ZINC000933221396 640685749 /nfs/dbraw/zinc/68/57/49/640685749.db2.gz SVUXECOHSFFFLM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)CC ZINC000933221396 640685753 /nfs/dbraw/zinc/68/57/53/640685753.db2.gz SVUXECOHSFFFLM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1CCN(C#N)CC ZINC000933234494 640688297 /nfs/dbraw/zinc/68/82/97/640688297.db2.gz NQIZUNDIKRMTIJ-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1CCN(C#N)CC ZINC000933234494 640688300 /nfs/dbraw/zinc/68/83/00/640688300.db2.gz NQIZUNDIKRMTIJ-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)n2cccc2)C1 ZINC001030223090 640694586 /nfs/dbraw/zinc/69/45/86/640694586.db2.gz XGUUDBVHHHNCCB-JTQLQIEISA-N 1 2 221.304 0.869 20 0 BCADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ncccn1 ZINC000933286147 640697784 /nfs/dbraw/zinc/69/77/84/640697784.db2.gz YJAJIODFMKCNBE-LLVKDONJSA-N 1 2 248.330 0.871 20 0 BCADLO O=C(Cc1ccoc1)NC1C[NH+](CCCO)C1 ZINC001030245643 640703396 /nfs/dbraw/zinc/70/33/96/640703396.db2.gz MIHOOXALXUPWFV-UHFFFAOYSA-N 1 2 238.287 0.005 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000933332314 640705905 /nfs/dbraw/zinc/70/59/05/640705905.db2.gz RIYDLCXASRBRNS-MNOVXSKESA-N 1 2 245.319 0.485 20 0 BCADLO COC[C@@H]1COCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000933332314 640705906 /nfs/dbraw/zinc/70/59/06/640705906.db2.gz RIYDLCXASRBRNS-MNOVXSKESA-N 1 2 245.319 0.485 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)co1 ZINC001030250531 640708359 /nfs/dbraw/zinc/70/83/59/640708359.db2.gz MUPWKSDTVZLFMA-MRVPVSSYSA-N 1 2 238.287 0.383 20 0 BCADLO CCn1ccnc1C(=O)NC1C[NH+](CC)C1 ZINC001030261776 640714068 /nfs/dbraw/zinc/71/40/68/640714068.db2.gz VDSGCOSMALIYCG-UHFFFAOYSA-N 1 2 222.292 0.337 20 0 BCADLO CCN1CC[C@H]([N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401847 640716397 /nfs/dbraw/zinc/71/63/97/640716397.db2.gz QJABMMSZZWPHJV-NSHDSACASA-N 1 2 249.314 0.840 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401847 640716401 /nfs/dbraw/zinc/71/64/01/640716401.db2.gz QJABMMSZZWPHJV-NSHDSACASA-N 1 2 249.314 0.840 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC(C)(C)C2)C1 ZINC001030273330 640723301 /nfs/dbraw/zinc/72/33/01/640723301.db2.gz WUVLRYOIPCZOBZ-SECBINFHSA-N 1 2 240.347 0.604 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030285828 640728560 /nfs/dbraw/zinc/72/85/60/640728560.db2.gz JIFBUGHKAZTYAJ-APPZFPTMSA-N 1 2 248.273 0.477 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc3[nH]cnc32)C1 ZINC001030345044 640778927 /nfs/dbraw/zinc/77/89/27/640778927.db2.gz KGSOFKYOYWMQKH-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933898494 640784398 /nfs/dbraw/zinc/78/43/98/640784398.db2.gz DIVCOZGFIGVPLO-LLVKDONJSA-N 1 2 237.303 0.757 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933898494 640784402 /nfs/dbraw/zinc/78/44/02/640784402.db2.gz DIVCOZGFIGVPLO-LLVKDONJSA-N 1 2 237.303 0.757 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933900423 640784814 /nfs/dbraw/zinc/78/48/14/640784814.db2.gz JRDVQGDEBMCGED-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933900423 640784816 /nfs/dbraw/zinc/78/48/16/640784816.db2.gz JRDVQGDEBMCGED-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO Cn1c[nH+]cc1CN1CC(NC(=O)C2(C)CC2)C1 ZINC001030353139 640786654 /nfs/dbraw/zinc/78/66/54/640786654.db2.gz SCYVCQBHYKJAAA-UHFFFAOYSA-N 1 2 248.330 0.521 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1OCCO[C@H]1C ZINC000933990507 640798643 /nfs/dbraw/zinc/79/86/43/640798643.db2.gz LTKNREOVETXDDI-WPRPVWTQSA-N 1 2 239.275 0.138 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C=O)n(C)c1 ZINC000933994210 640801294 /nfs/dbraw/zinc/80/12/94/640801294.db2.gz UIIDDCPEUYKOQC-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NCc1cccs1 ZINC000934024686 640808904 /nfs/dbraw/zinc/80/89/04/640808904.db2.gz AJGMHEGJSSRMBW-VIFPVBQESA-N 1 2 240.328 0.431 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NCc1cccs1 ZINC000934024686 640808912 /nfs/dbraw/zinc/80/89/12/640808912.db2.gz AJGMHEGJSSRMBW-VIFPVBQESA-N 1 2 240.328 0.431 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001030389897 640815494 /nfs/dbraw/zinc/81/54/94/640815494.db2.gz SECDWIWYPWEHHA-UHFFFAOYSA-N 1 2 248.330 0.653 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001030501274 640886573 /nfs/dbraw/zinc/88/65/73/640886573.db2.gz SNAGCCPPSKLRRC-QMMMGPOBSA-N 1 2 218.247 0.852 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)C2CCC2)C1 ZINC001030506201 640889193 /nfs/dbraw/zinc/88/91/93/640889193.db2.gz FCXOLGURONXJLT-NXEZZACHSA-N 1 2 240.347 0.604 20 0 BCADLO CNc1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000228824450 640898449 /nfs/dbraw/zinc/89/84/49/640898449.db2.gz QEDWQZNNJNFUEC-UHFFFAOYSA-N 1 2 218.207 0.558 20 0 BCADLO CNc1cc(NCC(F)(F)CO)[nH+]cn1 ZINC000228824450 640898452 /nfs/dbraw/zinc/89/84/52/640898452.db2.gz QEDWQZNNJNFUEC-UHFFFAOYSA-N 1 2 218.207 0.558 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001030553403 640909041 /nfs/dbraw/zinc/90/90/41/640909041.db2.gz UTUWDNONFYFHMG-SNVBAGLBSA-N 1 2 248.330 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001030553402 640910000 /nfs/dbraw/zinc/91/00/00/640910000.db2.gz UTUWDNONFYFHMG-JTQLQIEISA-N 1 2 248.330 0.266 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1(F)CCCC1 ZINC001030576792 640925437 /nfs/dbraw/zinc/92/54/37/640925437.db2.gz AMSJFOYAMNUVAR-UHFFFAOYSA-N 1 2 244.310 0.452 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](OC)C1 ZINC000170817695 640926822 /nfs/dbraw/zinc/92/68/22/640926822.db2.gz LDOHLTSQMHILON-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](OC)C1 ZINC000170817695 640926823 /nfs/dbraw/zinc/92/68/23/640926823.db2.gz LDOHLTSQMHILON-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCNc1cc(N[C@H](CO)COC)nc[nH+]1 ZINC000229389249 640952420 /nfs/dbraw/zinc/95/24/20/640952420.db2.gz NGYNWXGFBLQFOO-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CCCNc1cc(N[C@H](CO)COC)[nH+]cn1 ZINC000229389249 640952424 /nfs/dbraw/zinc/95/24/24/640952424.db2.gz NGYNWXGFBLQFOO-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000229491798 640960406 /nfs/dbraw/zinc/96/04/06/640960406.db2.gz WZHJLUWKGNTTLV-DTWKUNHWSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@@H](C)C2)[nH+]cn1 ZINC000229491798 640960412 /nfs/dbraw/zinc/96/04/12/640960412.db2.gz WZHJLUWKGNTTLV-DTWKUNHWSA-N 1 2 222.292 0.725 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001030613048 640960906 /nfs/dbraw/zinc/96/09/06/640960906.db2.gz RWFWVHIGPDYITQ-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CCS1 ZINC000171688561 641003549 /nfs/dbraw/zinc/00/35/49/641003549.db2.gz YYQSCXIPTGUARY-MRVPVSSYSA-N 1 2 223.363 0.468 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CCS1 ZINC000171688561 641003551 /nfs/dbraw/zinc/00/35/51/641003551.db2.gz YYQSCXIPTGUARY-MRVPVSSYSA-N 1 2 223.363 0.468 20 0 BCADLO COC[C@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000230158625 641034030 /nfs/dbraw/zinc/03/40/30/641034030.db2.gz YZAWBDCCTVADEB-VHSXEESVSA-N 1 2 247.335 0.704 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1nncn1C ZINC000934113002 641077013 /nfs/dbraw/zinc/07/70/13/641077013.db2.gz YBAMPQGVZHTOJE-OPRDCNLKSA-N 1 2 224.308 0.985 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1nncn1C ZINC000934113002 641077018 /nfs/dbraw/zinc/07/70/18/641077018.db2.gz YBAMPQGVZHTOJE-OPRDCNLKSA-N 1 2 224.308 0.985 20 0 BCADLO C[C@H]([NH2+]CCCOCCO)C(=O)OC(C)(C)C ZINC000230766666 641093310 /nfs/dbraw/zinc/09/33/10/641093310.db2.gz NXVSNNQAWVDYAR-JTQLQIEISA-N 1 2 247.335 0.705 20 0 BCADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030665252 641104081 /nfs/dbraw/zinc/10/40/81/641104081.db2.gz YLCWCQHXKBEVLJ-GHMZBOCLSA-N 1 2 240.347 0.461 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934404225 641140560 /nfs/dbraw/zinc/14/05/60/641140560.db2.gz XQDDSLZXYQITAS-SECBINFHSA-N 1 2 229.276 0.087 20 0 BCADLO Nc1cnc(C[NH+]2CCSCC2)cn1 ZINC000231293796 641154514 /nfs/dbraw/zinc/15/45/14/641154514.db2.gz BYKCEWOMTWHHPY-UHFFFAOYSA-N 1 2 210.306 0.608 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297045 641157914 /nfs/dbraw/zinc/15/79/14/641157914.db2.gz QWIFATMENIXPSW-UHFFFAOYSA-N 1 2 237.307 0.002 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297045 641157922 /nfs/dbraw/zinc/15/79/22/641157922.db2.gz QWIFATMENIXPSW-UHFFFAOYSA-N 1 2 237.307 0.002 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000932970698 641165139 /nfs/dbraw/zinc/16/51/39/641165139.db2.gz XUBLWWDYKUJABZ-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000932970698 641165143 /nfs/dbraw/zinc/16/51/43/641165143.db2.gz XUBLWWDYKUJABZ-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCN1C ZINC000307937698 641194394 /nfs/dbraw/zinc/19/43/94/641194394.db2.gz PNIWBOWVVFEPOC-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCN1C ZINC000307937698 641194398 /nfs/dbraw/zinc/19/43/98/641194398.db2.gz PNIWBOWVVFEPOC-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC000088001068 641224954 /nfs/dbraw/zinc/22/49/54/641224954.db2.gz JDZWRHLQOYPGAK-QMMMGPOBSA-N 1 2 220.232 0.778 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC000088001066 641225141 /nfs/dbraw/zinc/22/51/41/641225141.db2.gz WSCWLLRUEPMCPK-QMMMGPOBSA-N 1 2 220.232 0.778 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001030691955 641246411 /nfs/dbraw/zinc/24/64/11/641246411.db2.gz TYEOMEJQEXJCRI-UHFFFAOYSA-N 1 2 241.266 0.214 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000934798032 641273184 /nfs/dbraw/zinc/27/31/84/641273184.db2.gz WXGCODMCGSOWCN-GHMZBOCLSA-N 1 2 245.282 0.985 20 0 BCADLO COC(=O)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934821937 641281178 /nfs/dbraw/zinc/28/11/78/641281178.db2.gz FCJKCXGVOVCVLB-UHFFFAOYSA-N 1 2 228.292 0.327 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C(C)C)cn2)C1 ZINC001030742166 641329690 /nfs/dbraw/zinc/32/96/90/641329690.db2.gz JNVUZYZEHBBTMA-UHFFFAOYSA-N 1 2 236.319 0.898 20 0 BCADLO CC1(C(=O)NC2C[NH+](CCCO)C2)CCCC1 ZINC001030757294 641336440 /nfs/dbraw/zinc/33/64/40/641336440.db2.gz LGMNYSMYIDIWTQ-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000929513517 641340606 /nfs/dbraw/zinc/34/06/06/641340606.db2.gz CCBCDIIHXBOHGH-ONGXEEELSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000929513517 641340612 /nfs/dbraw/zinc/34/06/12/641340612.db2.gz CCBCDIIHXBOHGH-ONGXEEELSA-N 1 2 242.319 0.396 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030795488 641356179 /nfs/dbraw/zinc/35/61/79/641356179.db2.gz FDGZIMGCWCAXGB-WCABBAIRSA-N 1 2 226.320 0.478 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030796274 641356909 /nfs/dbraw/zinc/35/69/09/641356909.db2.gz VTOXVIWQPDEIHW-WCABBAIRSA-N 1 2 226.320 0.478 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001030803802 641360804 /nfs/dbraw/zinc/36/08/04/641360804.db2.gz XNYPMQRAICDWMS-MFKMUULPSA-N 1 2 238.331 0.524 20 0 BCADLO O=C(N[C@@H]1CNC(=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000935267883 641376113 /nfs/dbraw/zinc/37/61/13/641376113.db2.gz CRJFRTLBMBJBNL-QMMMGPOBSA-N 1 2 244.254 0.181 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1coc(C=O)c1 ZINC000935329565 641386704 /nfs/dbraw/zinc/38/67/04/641386704.db2.gz QMYGYAWFAROVAO-UHFFFAOYSA-N 1 2 247.254 0.798 20 0 BCADLO C[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030865367 641391126 /nfs/dbraw/zinc/39/11/26/641391126.db2.gz KXGZNQUVQGRTMZ-WDEREUQCSA-N 1 2 240.347 0.605 20 0 BCADLO Cc1ncccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030874980 641394728 /nfs/dbraw/zinc/39/47/28/641394728.db2.gz KWVMUVAANOMMQW-SECBINFHSA-N 1 2 249.314 0.185 20 0 BCADLO Cc1nocc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030886734 641402860 /nfs/dbraw/zinc/40/28/60/641402860.db2.gz REEYFYPEUZAMBC-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO CC[C@H]1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030912388 641417330 /nfs/dbraw/zinc/41/73/30/641417330.db2.gz ZVCYTKZMWGKMRT-CMPLNLGQSA-N 1 2 240.347 0.605 20 0 BCADLO CCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925395923 641426207 /nfs/dbraw/zinc/42/62/07/641426207.db2.gz JEJNJLMBWBWCOI-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO CCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925395923 641426212 /nfs/dbraw/zinc/42/62/12/641426212.db2.gz JEJNJLMBWBWCOI-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@H]1CCc2c[nH+]cn2C1 ZINC000935597658 641443470 /nfs/dbraw/zinc/44/34/70/641443470.db2.gz MCNUCEFATBYRIH-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO CC(C)(C)OC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913776927 641473051 /nfs/dbraw/zinc/47/30/51/641473051.db2.gz CDXQCMONFGYDNL-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCCC#N ZINC000030594108 641503897 /nfs/dbraw/zinc/50/38/97/641503897.db2.gz NEZLGVUSJYVDKY-WDEREUQCSA-N 1 2 239.319 0.516 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCCC#N ZINC000030594108 641503901 /nfs/dbraw/zinc/50/39/01/641503901.db2.gz NEZLGVUSJYVDKY-WDEREUQCSA-N 1 2 239.319 0.516 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCCC#N ZINC000030594110 641504388 /nfs/dbraw/zinc/50/43/88/641504388.db2.gz NEZLGVUSJYVDKY-QWRGUYRKSA-N 1 2 239.319 0.516 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCCC#N ZINC000030594110 641504393 /nfs/dbraw/zinc/50/43/93/641504393.db2.gz NEZLGVUSJYVDKY-QWRGUYRKSA-N 1 2 239.319 0.516 20 0 BCADLO CN(CCC(N)=O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935960592 641506295 /nfs/dbraw/zinc/50/62/95/641506295.db2.gz ZEJAJMWSFWHEFG-UHFFFAOYSA-N 1 2 246.270 0.510 20 0 BCADLO Cc1nnn(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000914025837 641548643 /nfs/dbraw/zinc/54/86/43/641548643.db2.gz GQEPGSPFJPETMT-QMMMGPOBSA-N 1 2 248.290 0.813 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001030975553 641549664 /nfs/dbraw/zinc/54/96/64/641549664.db2.gz ZDNKXZXGIITNNW-SCZZXKLOSA-N 1 2 212.293 0.232 20 0 BCADLO Cc1nnn(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000914022288 641550435 /nfs/dbraw/zinc/55/04/35/641550435.db2.gz QSZPMWJQLJIURM-UHFFFAOYSA-N 1 2 234.263 0.321 20 0 BCADLO Cc1nnn(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000914022288 641550445 /nfs/dbraw/zinc/55/04/45/641550445.db2.gz QSZPMWJQLJIURM-UHFFFAOYSA-N 1 2 234.263 0.321 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030978153 641555668 /nfs/dbraw/zinc/55/56/68/641555668.db2.gz ATGPMJLFSMWWPN-CKYFFXLPSA-N 1 2 240.347 0.868 20 0 BCADLO C/C(=C\C(=O)N1CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000914153228 641586393 /nfs/dbraw/zinc/58/63/93/641586393.db2.gz VLOORXNSKUXUEO-ZKQHCESOSA-N 1 2 238.331 0.886 20 0 BCADLO C/C(=C/C(=O)N1CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000914153226 641586756 /nfs/dbraw/zinc/58/67/56/641586756.db2.gz VLOORXNSKUXUEO-MMRAYRKESA-N 1 2 238.331 0.886 20 0 BCADLO C[C@H](NC(=O)C(C)(C)F)[C@H](C)[NH+]1CCOCC1 ZINC000156089345 641592431 /nfs/dbraw/zinc/59/24/31/641592431.db2.gz ZOIMLYWROPIMKO-UWVGGRQHSA-N 1 2 246.326 0.960 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CCO)C2)c(C)[nH]1 ZINC001031018979 641597966 /nfs/dbraw/zinc/59/79/66/641597966.db2.gz QXJOBRNBOYGNQH-UHFFFAOYSA-N 1 2 237.303 0.038 20 0 BCADLO COC(=O)C[N@H+](CCO[C@@H]1CCOC1)C1CC1 ZINC000929804511 641624076 /nfs/dbraw/zinc/62/40/76/641624076.db2.gz GNHFNROUZSQEMB-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@@H+](CCO[C@@H]1CCOC1)C1CC1 ZINC000929804511 641624085 /nfs/dbraw/zinc/62/40/85/641624085.db2.gz GNHFNROUZSQEMB-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031044151 641639012 /nfs/dbraw/zinc/63/90/12/641639012.db2.gz PHGNZBLGYNMXFG-GHMZBOCLSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cnco1 ZINC001015444677 641690059 /nfs/dbraw/zinc/69/00/59/641690059.db2.gz ULNWELLVGGZBGU-MRVPVSSYSA-N 1 2 227.239 0.448 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cnco1 ZINC001015444677 641690063 /nfs/dbraw/zinc/69/00/63/641690063.db2.gz ULNWELLVGGZBGU-MRVPVSSYSA-N 1 2 227.239 0.448 20 0 BCADLO COC(=O)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929823709 641699157 /nfs/dbraw/zinc/69/91/57/641699157.db2.gz UIZCAOQWWCGSMI-ZETCQYMHSA-N 1 2 247.254 0.854 20 0 BCADLO c1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)[nH]n1 ZINC000914433109 641702277 /nfs/dbraw/zinc/70/22/77/641702277.db2.gz KDZIAEZNRDDMOZ-QWRGUYRKSA-N 1 2 207.277 0.924 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2cnon2)C1 ZINC001031126713 641721810 /nfs/dbraw/zinc/72/18/10/641721810.db2.gz DXMUUCDAFORBTC-UHFFFAOYSA-N 1 2 224.264 0.284 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cnon2)C1 ZINC001031126184 641723232 /nfs/dbraw/zinc/72/32/32/641723232.db2.gz KOLNFHJUOJUYDK-SSDOTTSWSA-N 1 2 242.254 0.232 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C[C@H](C)O)C2)ccn1 ZINC001031128447 641724446 /nfs/dbraw/zinc/72/44/46/641724446.db2.gz LBSHDAJZMSLLEE-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000993071204 641725946 /nfs/dbraw/zinc/72/59/46/641725946.db2.gz LVNAMRVDRAQVNZ-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000993071204 641725951 /nfs/dbraw/zinc/72/59/51/641725951.db2.gz LVNAMRVDRAQVNZ-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nc(C)oc2C)C1 ZINC001031139952 641731926 /nfs/dbraw/zinc/73/19/26/641731926.db2.gz KHWUJFMZZBCLJO-UHFFFAOYSA-N 1 2 223.276 0.725 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001031144901 641733793 /nfs/dbraw/zinc/73/37/93/641733793.db2.gz DOQMLOOXZZCHJC-UHFFFAOYSA-N 1 2 248.330 0.719 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001031162377 641754969 /nfs/dbraw/zinc/75/49/69/641754969.db2.gz QFFDHFXWCRUUSH-UHFFFAOYSA-N 1 2 249.318 0.122 20 0 BCADLO C[C@H](CNC(=S)NC1CC1)[NH+]1CCOCC1 ZINC000914705267 641755004 /nfs/dbraw/zinc/75/50/04/641755004.db2.gz PIPSQADKUJIEMC-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+](C)CCS(C)(=O)=O)O1 ZINC000188591174 641762961 /nfs/dbraw/zinc/76/29/61/641762961.db2.gz ZLMXUSPVAYUZCI-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+](C)CCS(C)(=O)=O)O1 ZINC000188591174 641762965 /nfs/dbraw/zinc/76/29/65/641762965.db2.gz ZLMXUSPVAYUZCI-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031169202 641765610 /nfs/dbraw/zinc/76/56/10/641765610.db2.gz ABAVFLKVRJRCFW-VXGBXAGGSA-N 1 2 240.347 0.461 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1=COCC1 ZINC000075663506 641767665 /nfs/dbraw/zinc/76/76/65/641767665.db2.gz JGVZGLPKMCOTQH-UHFFFAOYSA-N 1 2 221.260 0.694 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031174960 641773849 /nfs/dbraw/zinc/77/38/49/641773849.db2.gz JNDVIRPXYRBRAD-JQWIXIFHSA-N 1 2 226.320 0.215 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CC(OC)OC ZINC000189144315 641792256 /nfs/dbraw/zinc/79/22/56/641792256.db2.gz QRVJWLKOVKUDIY-VIFPVBQESA-N 1 2 230.308 0.206 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC(OC)OC ZINC000189144315 641792259 /nfs/dbraw/zinc/79/22/59/641792259.db2.gz QRVJWLKOVKUDIY-VIFPVBQESA-N 1 2 230.308 0.206 20 0 BCADLO CC[NH+]1CC(NC(=O)c2oncc2C)C1 ZINC001031193557 641798333 /nfs/dbraw/zinc/79/83/33/641798333.db2.gz RVDKQVLSNQNPIP-UHFFFAOYSA-N 1 2 209.249 0.417 20 0 BCADLO CC(C)OC1CC([NH2+]Cc2ncn(C)n2)C1 ZINC000189553181 641810438 /nfs/dbraw/zinc/81/04/38/641810438.db2.gz YDJILZYRQHXEQL-UHFFFAOYSA-N 1 2 224.308 0.861 20 0 BCADLO COCCO[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000189648062 641815301 /nfs/dbraw/zinc/81/53/01/641815301.db2.gz UOYCZIGSESXGTF-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO COCCO[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000189648062 641815306 /nfs/dbraw/zinc/81/53/06/641815306.db2.gz UOYCZIGSESXGTF-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO CCN(C(=O)c1cc[n+]([O-])cc1)C1C[NH+](CC)C1 ZINC000949624943 641846886 /nfs/dbraw/zinc/84/68/86/641846886.db2.gz TYTPURNXPHIAJC-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO CCC(=O)CC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000190229152 641852980 /nfs/dbraw/zinc/85/29/80/641852980.db2.gz HITZKRZQDGSCDU-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO CCC(=O)CC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000190229152 641852986 /nfs/dbraw/zinc/85/29/86/641852986.db2.gz HITZKRZQDGSCDU-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190343638 641859711 /nfs/dbraw/zinc/85/97/11/641859711.db2.gz GVLKWWUCSWZGJX-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190343638 641859715 /nfs/dbraw/zinc/85/97/15/641859715.db2.gz GVLKWWUCSWZGJX-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO COC(C[NH2+][C@@H](C)c1nnnn1C1CC1)OC ZINC000191469712 641923230 /nfs/dbraw/zinc/92/32/30/641923230.db2.gz WAQJSJOKIUFRAE-ZETCQYMHSA-N 1 2 241.295 0.278 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cn2cncn2)C1 ZINC001031357894 641995378 /nfs/dbraw/zinc/99/53/78/641995378.db2.gz DFIUVSGDMXNCGK-UHFFFAOYSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@@H+]1CCC[C@@H]1Cn1ccnc1S(C)(=O)=O ZINC000917116026 642015736 /nfs/dbraw/zinc/01/57/36/642015736.db2.gz IUCAJYMEJCYFBE-SECBINFHSA-N 1 2 243.332 0.381 20 0 BCADLO C[N@H+]1CCC[C@@H]1Cn1ccnc1S(C)(=O)=O ZINC000917116026 642015740 /nfs/dbraw/zinc/01/57/40/642015740.db2.gz IUCAJYMEJCYFBE-SECBINFHSA-N 1 2 243.332 0.381 20 0 BCADLO Cc1nonc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001031480345 642199304 /nfs/dbraw/zinc/19/93/04/642199304.db2.gz JJYMSDPBNFBGNF-UHFFFAOYSA-N 1 2 236.275 0.202 20 0 BCADLO CC(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031504552 642237098 /nfs/dbraw/zinc/23/70/98/642237098.db2.gz JGLHJBRTELEMIU-SECBINFHSA-N 1 2 234.303 0.606 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001031505169 642237797 /nfs/dbraw/zinc/23/77/97/642237797.db2.gz FXYYJXMOTAIGQQ-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO Cn1cncc1C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031508655 642243250 /nfs/dbraw/zinc/24/32/50/642243250.db2.gz LECDHRBICVNFIT-UHFFFAOYSA-N 1 2 248.330 0.378 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccon1 ZINC001031561243 642306811 /nfs/dbraw/zinc/30/68/11/642306811.db2.gz DMDZKBWRYVAQTO-UHFFFAOYSA-N 1 2 227.239 0.306 20 0 BCADLO Cc1cc(C(=O)NCC2C[NH+](CCF)C2)[nH]n1 ZINC001031562351 642307519 /nfs/dbraw/zinc/30/75/19/642307519.db2.gz PUCRSEZMOSFHHF-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000930089751 642368449 /nfs/dbraw/zinc/36/84/49/642368449.db2.gz HJCRYJBJUHAOKF-NSHDSACASA-N 1 2 235.287 0.676 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000930089751 642368459 /nfs/dbraw/zinc/36/84/59/642368459.db2.gz HJCRYJBJUHAOKF-NSHDSACASA-N 1 2 235.287 0.676 20 0 BCADLO CCn1cnc2c1CC[N@H+](Cc1cnnn1C)C2 ZINC000933255516 642424056 /nfs/dbraw/zinc/42/40/56/642424056.db2.gz KJFHRWGFIRVGHA-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCn1cnc2c1CC[N@@H+](Cc1cnnn1C)C2 ZINC000933255516 642424059 /nfs/dbraw/zinc/42/40/59/642424059.db2.gz KJFHRWGFIRVGHA-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CC[C@@H](C(N)=O)N1CCc2c([nH+]cn2CC)C1 ZINC000933261723 642427476 /nfs/dbraw/zinc/42/74/76/642427476.db2.gz IGINPOBTNJSSDL-JTQLQIEISA-N 1 2 236.319 0.525 20 0 BCADLO CCC[C@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933297807 642511133 /nfs/dbraw/zinc/51/11/33/642511133.db2.gz ASNHGHIQESMKBR-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000305761883 642691710 /nfs/dbraw/zinc/69/17/10/642691710.db2.gz CQDNLMUCVJDUGG-SNVBAGLBSA-N 1 2 215.293 0.500 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000305761883 642691714 /nfs/dbraw/zinc/69/17/14/642691714.db2.gz CQDNLMUCVJDUGG-SNVBAGLBSA-N 1 2 215.293 0.500 20 0 BCADLO CC(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179517764 642723351 /nfs/dbraw/zinc/72/33/51/642723351.db2.gz QDJNVZFSUKTNCA-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000965960713 642773984 /nfs/dbraw/zinc/77/39/84/642773984.db2.gz KJAXZIBVULNJCX-SECBINFHSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000965981838 642778203 /nfs/dbraw/zinc/77/82/03/642778203.db2.gz JAYCOUXDDSKTIP-MRVPVSSYSA-N 1 2 226.305 0.249 20 0 BCADLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010351484 642859287 /nfs/dbraw/zinc/85/92/87/642859287.db2.gz ZOJQCLWIPBWNJT-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010351484 642859290 /nfs/dbraw/zinc/85/92/90/642859290.db2.gz ZOJQCLWIPBWNJT-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cn1cncc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031818991 642869401 /nfs/dbraw/zinc/86/94/01/642869401.db2.gz HRNHXVAQBHZEEH-UHFFFAOYSA-N 1 2 240.282 0.051 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@H](C)O ZINC000181464120 642875007 /nfs/dbraw/zinc/87/50/07/642875007.db2.gz NNWJTTZXCYFVIP-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@H](C)O ZINC000181464120 642875011 /nfs/dbraw/zinc/87/50/11/642875011.db2.gz NNWJTTZXCYFVIP-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015643982 642918852 /nfs/dbraw/zinc/91/88/52/642918852.db2.gz XUQSPEZLTJZMKJ-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015643982 642918858 /nfs/dbraw/zinc/91/88/58/642918858.db2.gz XUQSPEZLTJZMKJ-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCF)C2)n1 ZINC001015821451 642929764 /nfs/dbraw/zinc/92/97/64/642929764.db2.gz KYMJSIICSNYOQZ-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC001015821451 642929775 /nfs/dbraw/zinc/92/97/75/642929775.db2.gz KYMJSIICSNYOQZ-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001016413799 642958985 /nfs/dbraw/zinc/95/89/85/642958985.db2.gz FWFHBOYJAXSFIA-QMMMGPOBSA-N 1 2 242.254 0.152 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001016413799 642959004 /nfs/dbraw/zinc/95/90/04/642959004.db2.gz FWFHBOYJAXSFIA-QMMMGPOBSA-N 1 2 242.254 0.152 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1csnn1 ZINC001031880750 642966432 /nfs/dbraw/zinc/96/64/32/642966432.db2.gz QZUYSZDTHDBXOA-UHFFFAOYSA-N 1 2 244.295 0.169 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018383814 642986310 /nfs/dbraw/zinc/98/63/10/642986310.db2.gz JAYCOUXDDSKTIP-QMMMGPOBSA-N 1 2 226.305 0.249 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000394017618 643070064 /nfs/dbraw/zinc/07/00/64/643070064.db2.gz OXUPURLWAIQYSX-SECBINFHSA-N 1 2 225.292 0.549 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1C(N)=O ZINC000252665408 643084644 /nfs/dbraw/zinc/08/46/44/643084644.db2.gz ZOKHLVDUXPZAFA-RDOCRHDPSA-N 1 2 226.276 0.055 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H]1C(N)=O ZINC000252665408 643084650 /nfs/dbraw/zinc/08/46/50/643084650.db2.gz ZOKHLVDUXPZAFA-RDOCRHDPSA-N 1 2 226.276 0.055 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000941691954 643116991 /nfs/dbraw/zinc/11/69/91/643116991.db2.gz XTKYVYZSXOHLPF-JQWIXIFHSA-N 1 2 248.330 0.823 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000941691954 643116998 /nfs/dbraw/zinc/11/69/98/643116998.db2.gz XTKYVYZSXOHLPF-JQWIXIFHSA-N 1 2 248.330 0.823 20 0 BCADLO C[N@H+](CCO)CC(=O)Nc1cccnc1Cl ZINC000049633573 643117246 /nfs/dbraw/zinc/11/72/46/643117246.db2.gz AEHGKMSSKQDQTJ-UHFFFAOYSA-N 1 2 243.694 0.598 20 0 BCADLO C[N@@H+](CCO)CC(=O)Nc1cccnc1Cl ZINC000049633573 643117252 /nfs/dbraw/zinc/11/72/52/643117252.db2.gz AEHGKMSSKQDQTJ-UHFFFAOYSA-N 1 2 243.694 0.598 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1ccncn1 ZINC000350557228 643216763 /nfs/dbraw/zinc/21/67/63/643216763.db2.gz OOXXIWICYSZFGE-UHFFFAOYSA-N 1 2 232.247 0.532 20 0 BCADLO CCOC(=O)/C=C/C[N@H+](C)CC(=O)NC1CC1 ZINC000131122855 643261883 /nfs/dbraw/zinc/26/18/83/643261883.db2.gz VTBOUIPIMZQHHS-SNAWJCMRSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+](C)CC(=O)NC1CC1 ZINC000131122855 643261890 /nfs/dbraw/zinc/26/18/90/643261890.db2.gz VTBOUIPIMZQHHS-SNAWJCMRSA-N 1 2 240.303 0.316 20 0 BCADLO C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000082277861 643291022 /nfs/dbraw/zinc/29/10/22/643291022.db2.gz YMLLLLOZLVTXME-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000082277861 643291026 /nfs/dbraw/zinc/29/10/26/643291026.db2.gz YMLLLLOZLVTXME-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO CO[C@H](C)c1noc(C[NH2+][C@@H]2COC[C@@H]2C)n1 ZINC000932497202 643324335 /nfs/dbraw/zinc/32/43/35/643324335.db2.gz PODDJRGFXARWPO-DJLDLDEBSA-N 1 2 241.291 0.902 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC000965967999 643352501 /nfs/dbraw/zinc/35/25/01/643352501.db2.gz IRPORVYYUUNKTJ-OIBJUYFYSA-N 1 2 238.291 0.649 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC000965967998 643352644 /nfs/dbraw/zinc/35/26/44/643352644.db2.gz IRPORVYYUUNKTJ-GMSGAONNSA-N 1 2 238.291 0.649 20 0 BCADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032236648 643382131 /nfs/dbraw/zinc/38/21/31/643382131.db2.gz CDLXCQVRMSVLCJ-AQHVTNBVSA-N 1 2 244.722 0.670 20 0 BCADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032236648 643382136 /nfs/dbraw/zinc/38/21/36/643382136.db2.gz CDLXCQVRMSVLCJ-AQHVTNBVSA-N 1 2 244.722 0.670 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000932643922 643386639 /nfs/dbraw/zinc/38/66/39/643386639.db2.gz NBNCSFXYJBVXRU-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000932643922 643386644 /nfs/dbraw/zinc/38/66/44/643386644.db2.gz NBNCSFXYJBVXRU-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1c[nH+]cn1C ZINC000291109790 643388726 /nfs/dbraw/zinc/38/87/26/643388726.db2.gz CJDGIKWLDVYSDG-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000932645289 643389403 /nfs/dbraw/zinc/38/94/03/643389403.db2.gz AARUWPNMKLRZLT-BDAKNGLRSA-N 1 2 227.260 0.187 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000932645289 643389408 /nfs/dbraw/zinc/38/94/08/643389408.db2.gz AARUWPNMKLRZLT-BDAKNGLRSA-N 1 2 227.260 0.187 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CCOC1 ZINC001015903914 643418674 /nfs/dbraw/zinc/41/86/74/643418674.db2.gz ACWXKLBQCXCDKP-PWSUYJOCSA-N 1 2 244.310 0.573 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC001015903914 643418678 /nfs/dbraw/zinc/41/86/78/643418678.db2.gz ACWXKLBQCXCDKP-PWSUYJOCSA-N 1 2 244.310 0.573 20 0 BCADLO Cn1ccnc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445646 643452387 /nfs/dbraw/zinc/45/23/87/643452387.db2.gz SEJPBEHSWFUEBQ-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000307475817 643484425 /nfs/dbraw/zinc/48/44/25/643484425.db2.gz UJQRILOWMFSIJP-YUMQZZPRSA-N 1 2 201.291 0.645 20 0 BCADLO CO[C@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983466 643485262 /nfs/dbraw/zinc/48/52/62/643485262.db2.gz MMNJKZYGNYCVKF-SECBINFHSA-N 1 2 223.276 0.691 20 0 BCADLO Cc1cc(NC(=O)c2cnn(C)n2)cc[nH+]1 ZINC000074702439 643584687 /nfs/dbraw/zinc/58/46/87/643584687.db2.gz HPAXSYPIVFSRDT-UHFFFAOYSA-N 1 2 217.232 0.771 20 0 BCADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000970914138 643609156 /nfs/dbraw/zinc/60/91/56/643609156.db2.gz AXPGJDIRWVUEBK-LBPRGKRZSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000970914138 643609163 /nfs/dbraw/zinc/60/91/63/643609163.db2.gz AXPGJDIRWVUEBK-LBPRGKRZSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000970915647 643612382 /nfs/dbraw/zinc/61/23/82/643612382.db2.gz LSFHSRWQOAUZSB-LLVKDONJSA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000970915647 643612388 /nfs/dbraw/zinc/61/23/88/643612388.db2.gz LSFHSRWQOAUZSB-LLVKDONJSA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000998312689 643693296 /nfs/dbraw/zinc/69/32/96/643693296.db2.gz LWAQSARFHDLYEK-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002183466 643810624 /nfs/dbraw/zinc/81/06/24/643810624.db2.gz DILXELBULHRCBW-UHFFFAOYSA-N 1 2 236.319 0.521 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cnc1C ZINC000921877081 643815117 /nfs/dbraw/zinc/81/51/17/643815117.db2.gz UNIBDPAQPHBCKL-GFCCVEGCSA-N 1 2 249.314 0.968 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cnc1C ZINC000921877081 643815118 /nfs/dbraw/zinc/81/51/18/643815118.db2.gz UNIBDPAQPHBCKL-GFCCVEGCSA-N 1 2 249.314 0.968 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)Cc1c[nH+]cn1C ZINC000922010693 643844970 /nfs/dbraw/zinc/84/49/70/643844970.db2.gz ZZGCLAUAHQSCBZ-NXEZZACHSA-N 1 2 237.303 0.334 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000922015670 643846396 /nfs/dbraw/zinc/84/63/96/643846396.db2.gz VKRKCVVVGAKQPL-GWOFURMSSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000922015670 643846399 /nfs/dbraw/zinc/84/63/99/643846399.db2.gz VKRKCVVVGAKQPL-GWOFURMSSA-N 1 2 249.314 0.885 20 0 BCADLO CCOCC(=O)OCc1ccc[nH+]c1N ZINC000922184806 643896232 /nfs/dbraw/zinc/89/62/32/643896232.db2.gz QDSBJSITEJCINC-UHFFFAOYSA-N 1 2 210.233 0.744 20 0 BCADLO C[C@H]1Cn2nccc2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000922205782 643902660 /nfs/dbraw/zinc/90/26/60/643902660.db2.gz MPWYNQXPNCYHAA-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO c1[nH]nnc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922276535 643943613 /nfs/dbraw/zinc/94/36/13/643943613.db2.gz KWTRAZUZNLWLKI-PREPNJAASA-N 1 2 234.303 0.708 20 0 BCADLO c1n[nH]nc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922276535 643943618 /nfs/dbraw/zinc/94/36/18/643943618.db2.gz KWTRAZUZNLWLKI-PREPNJAASA-N 1 2 234.303 0.708 20 0 BCADLO Cc1cnn(CC(=O)OCc2ccc[nH+]c2N)c1 ZINC000922372593 643981759 /nfs/dbraw/zinc/98/17/59/643981759.db2.gz GFYJDOSWFVXFAM-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO CC(C)(CO)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922405315 643987408 /nfs/dbraw/zinc/98/74/08/643987408.db2.gz VPQQJNQXDXKQJY-UHFFFAOYSA-N 1 2 224.260 0.726 20 0 BCADLO COC[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922416266 643990618 /nfs/dbraw/zinc/99/06/18/643990618.db2.gz SHTKWGSDVYTURX-QMMMGPOBSA-N 1 2 224.260 0.990 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000922515792 644005187 /nfs/dbraw/zinc/00/51/87/644005187.db2.gz JFJZLWIUTSGPSP-WCBMZHEXSA-N 1 2 238.291 0.254 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCNC(=O)C2)c[nH+]1 ZINC000922528420 644017308 /nfs/dbraw/zinc/01/73/08/644017308.db2.gz YJLQININHJAKQQ-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO CN1CC[C@H](C(=O)OCc2ccc[nH+]c2N)C1=O ZINC000922620939 644043526 /nfs/dbraw/zinc/04/35/26/644043526.db2.gz GLZGHBFABCUFSO-VIFPVBQESA-N 1 2 249.270 0.185 20 0 BCADLO CCn1ncc(C(=O)OCc2ccc[nH+]c2N)n1 ZINC000922764085 644089761 /nfs/dbraw/zinc/08/97/61/644089761.db2.gz KMKLSHVBCFTELS-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO Cc1ccn(CC(=O)OCc2ccc[nH+]c2N)n1 ZINC000922769583 644091854 /nfs/dbraw/zinc/09/18/54/644091854.db2.gz XVYGKNSDOQKKSV-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000922875126 644122328 /nfs/dbraw/zinc/12/23/28/644122328.db2.gz GLPCKWKQBFEGTH-JZYVYDRUSA-N 1 2 234.255 0.599 20 0 BCADLO COC[C@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922868494 644123735 /nfs/dbraw/zinc/12/37/35/644123735.db2.gz BHUOSUGCAYQVIA-VIFPVBQESA-N 1 2 240.259 0.368 20 0 BCADLO COC[C@H](OC)C(=O)OCc1ccc[nH+]c1N ZINC000922869684 644123803 /nfs/dbraw/zinc/12/38/03/644123803.db2.gz KOBMXHNDQLVWHL-VIFPVBQESA-N 1 2 240.259 0.368 20 0 BCADLO CCOCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000156360606 644128482 /nfs/dbraw/zinc/12/84/82/644128482.db2.gz QIEKOVNILFHDMG-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCOCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000156360606 644128489 /nfs/dbraw/zinc/12/84/89/644128489.db2.gz QIEKOVNILFHDMG-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO Cc1nc(N2C[C@H](C)C(O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631359651 644155747 /nfs/dbraw/zinc/15/57/47/644155747.db2.gz DKDLVPQOIYGYLM-BQBZGAKWSA-N 1 2 237.307 0.215 20 0 BCADLO C[C@@]1(C(=O)OCc2ccc[nH+]c2N)CCC(=O)N1 ZINC000922924524 644188810 /nfs/dbraw/zinc/18/88/10/644188810.db2.gz DUBJOHZKJBHGAG-LBPRGKRZSA-N 1 2 249.270 0.376 20 0 BCADLO Cc1ccc(C[S@](=O)CCO)c(C)[nH+]1 ZINC000187078038 644257071 /nfs/dbraw/zinc/25/70/71/644257071.db2.gz QJDGOBYHBBTQSR-CQSZACIVSA-N 1 2 213.302 0.939 20 0 BCADLO CO[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000195351038 644382009 /nfs/dbraw/zinc/38/20/09/644382009.db2.gz YJVCSVGGRIYJOQ-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000195435718 644390209 /nfs/dbraw/zinc/39/02/09/644390209.db2.gz ZIHIGYXRJQMESX-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000923570583 644507381 /nfs/dbraw/zinc/50/73/81/644507381.db2.gz KXFLBXYPOOCPCK-INTQDDNPSA-N 1 2 246.266 0.932 20 0 BCADLO CC[C@H]1C[N@@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000245612814 644533150 /nfs/dbraw/zinc/53/31/50/644533150.db2.gz WMHAAWDUHBVHEL-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@H]1C[N@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000245612814 644533147 /nfs/dbraw/zinc/53/31/47/644533147.db2.gz WMHAAWDUHBVHEL-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO O=C1C[N@H+](CCC(F)(F)F)CCCN1 ZINC000740876414 644560738 /nfs/dbraw/zinc/56/07/38/644560738.db2.gz UKHNCHSRJDQJAK-UHFFFAOYSA-N 1 2 210.199 0.761 20 0 BCADLO O=C1C[N@@H+](CCC(F)(F)F)CCCN1 ZINC000740876414 644560742 /nfs/dbraw/zinc/56/07/42/644560742.db2.gz UKHNCHSRJDQJAK-UHFFFAOYSA-N 1 2 210.199 0.761 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000246784240 644605924 /nfs/dbraw/zinc/60/59/24/644605924.db2.gz ORURBTKFSJFDNZ-VHSXEESVSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC000246784240 644605931 /nfs/dbraw/zinc/60/59/31/644605931.db2.gz ORURBTKFSJFDNZ-VHSXEESVSA-N 1 2 215.293 0.785 20 0 BCADLO CCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000839760947 644631121 /nfs/dbraw/zinc/63/11/21/644631121.db2.gz VPJYREJMICQXQK-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000092068455 644646181 /nfs/dbraw/zinc/64/61/81/644646181.db2.gz DUNMHOLPQLDJIL-JTQLQIEISA-N 1 2 244.316 0.403 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000092068455 644646184 /nfs/dbraw/zinc/64/61/84/644646184.db2.gz DUNMHOLPQLDJIL-JTQLQIEISA-N 1 2 244.316 0.403 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000765032424 644662023 /nfs/dbraw/zinc/66/20/23/644662023.db2.gz FODBAQMFPFTPNG-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO CCN(C(=O)c1cnon1)C1C[NH+](C(C)C)C1 ZINC000956990545 644675675 /nfs/dbraw/zinc/67/56/75/644675675.db2.gz SMAQWZUBLKCMLQ-UHFFFAOYSA-N 1 2 238.291 0.624 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000249154689 644715128 /nfs/dbraw/zinc/71/51/28/644715128.db2.gz YMIYHBIRGVJUCC-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000249154689 644715133 /nfs/dbraw/zinc/71/51/33/644715133.db2.gz YMIYHBIRGVJUCC-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCN(C(=O)c1ccnc(C)n1)C1C[NH+](CC)C1 ZINC000957402151 644725099 /nfs/dbraw/zinc/72/50/99/644725099.db2.gz NXMSRHGHQJPJHT-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC1OCCO1 ZINC000780340966 644729573 /nfs/dbraw/zinc/72/95/73/644729573.db2.gz CVLFOAHYKHJVLO-UHFFFAOYSA-N 1 2 230.308 0.337 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC1OCCO1 ZINC000780340966 644729584 /nfs/dbraw/zinc/72/95/84/644729584.db2.gz CVLFOAHYKHJVLO-UHFFFAOYSA-N 1 2 230.308 0.337 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC000957984231 644764384 /nfs/dbraw/zinc/76/43/84/644764384.db2.gz VKUPVVOSVVNVRW-PJXYFTJBSA-N 1 2 249.314 0.939 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC000957984231 644764393 /nfs/dbraw/zinc/76/43/93/644764393.db2.gz VKUPVVOSVVNVRW-PJXYFTJBSA-N 1 2 249.314 0.939 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC000957987056 644764422 /nfs/dbraw/zinc/76/44/22/644764422.db2.gz VMQYHFIMDXNUCS-GDNZZTSVSA-N 1 2 235.287 0.549 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC000957987056 644764435 /nfs/dbraw/zinc/76/44/35/644764435.db2.gz VMQYHFIMDXNUCS-GDNZZTSVSA-N 1 2 235.287 0.549 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@H](C2CC2)O1 ZINC000794651207 644804841 /nfs/dbraw/zinc/80/48/41/644804841.db2.gz GNSAYZDELAEWBO-MWLCHTKSSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@H](C2CC2)O1 ZINC000794651207 644804843 /nfs/dbraw/zinc/80/48/43/644804843.db2.gz GNSAYZDELAEWBO-MWLCHTKSSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@@H]1CN(C(=O)C(=O)c2cccn2C)CC[N@@H+]1C ZINC000806936947 644856724 /nfs/dbraw/zinc/85/67/24/644856724.db2.gz HEGIAKABUCLNAS-SNVBAGLBSA-N 1 2 249.314 0.370 20 0 BCADLO C[C@@H]1CN(C(=O)C(=O)c2cccn2C)CC[N@H+]1C ZINC000806936947 644856726 /nfs/dbraw/zinc/85/67/26/644856726.db2.gz HEGIAKABUCLNAS-SNVBAGLBSA-N 1 2 249.314 0.370 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H](C2CC2)CC1=O ZINC000840083791 644858179 /nfs/dbraw/zinc/85/81/79/644858179.db2.gz NUPYMYOOZUEWGL-RYUDHWBXSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H](C2CC2)CC1=O ZINC000840083791 644858184 /nfs/dbraw/zinc/85/81/84/644858184.db2.gz NUPYMYOOZUEWGL-RYUDHWBXSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840083833 644858839 /nfs/dbraw/zinc/85/88/39/644858839.db2.gz OXNKRESWYHCUMU-SDDRHHMPSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840083833 644858841 /nfs/dbraw/zinc/85/88/41/644858841.db2.gz OXNKRESWYHCUMU-SDDRHHMPSA-N 1 2 238.331 0.923 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000097153400 644875815 /nfs/dbraw/zinc/87/58/15/644875815.db2.gz ZFKVLQNPHWEHQX-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000097153400 644875818 /nfs/dbraw/zinc/87/58/18/644875818.db2.gz ZFKVLQNPHWEHQX-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(F)F)CC1 ZINC000808462268 644880558 /nfs/dbraw/zinc/88/05/58/644880558.db2.gz IUXMOIVXBJUTHT-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(F)F)CC1 ZINC000808462269 644881336 /nfs/dbraw/zinc/88/13/36/644881336.db2.gz IUXMOIVXBJUTHT-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCO)C1CC1 ZINC000304358351 644895655 /nfs/dbraw/zinc/89/56/55/644895655.db2.gz XENJUPRISPAESC-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCO)C1CC1 ZINC000304358351 644895657 /nfs/dbraw/zinc/89/56/57/644895657.db2.gz XENJUPRISPAESC-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO COc1cnc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000815521314 644954923 /nfs/dbraw/zinc/95/49/23/644954923.db2.gz HWUOGCPXVMWZNL-UHFFFAOYSA-N 1 2 248.242 0.539 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816568899 644963138 /nfs/dbraw/zinc/96/31/38/644963138.db2.gz SOKWXXBMTWLNBU-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816568899 644963145 /nfs/dbraw/zinc/96/31/45/644963145.db2.gz SOKWXXBMTWLNBU-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO O=C(N[C@H]1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824641314 645058815 /nfs/dbraw/zinc/05/88/15/645058815.db2.gz HXDIYIAXVNSXTH-VIFPVBQESA-N 1 2 244.254 0.181 20 0 BCADLO CC1(C)C[C@H](O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000827670466 645082539 /nfs/dbraw/zinc/08/25/39/645082539.db2.gz NGDLJACVNJWENZ-JTQLQIEISA-N 1 2 237.303 0.503 20 0 BCADLO CC(C)(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828083939 645095210 /nfs/dbraw/zinc/09/52/10/645095210.db2.gz VRFIHHRPPFUVKO-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830377690 645122834 /nfs/dbraw/zinc/12/28/34/645122834.db2.gz SBZIWPZHRYKYAU-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO COCC(COC)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926529085 645258060 /nfs/dbraw/zinc/25/80/60/645258060.db2.gz CPWPOCFRHHBEFY-SCZZXKLOSA-N 1 2 240.307 0.535 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ncco1 ZINC000926575560 645295516 /nfs/dbraw/zinc/29/55/16/645295516.db2.gz KDHZBLLJVNAOEQ-HRDYMLBCSA-N 1 2 212.249 0.739 20 0 BCADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCNC1=O ZINC000926673573 645347113 /nfs/dbraw/zinc/34/71/13/645347113.db2.gz RKCSBZOMOMFTTF-DTWKUNHWSA-N 1 2 235.287 0.839 20 0 BCADLO COc1cc([C@@H](C)[NH2+][C@@H]2CCNC2=O)on1 ZINC000926670606 645348068 /nfs/dbraw/zinc/34/80/68/645348068.db2.gz DGHHLJBLZKTQAD-RNFRBKRXSA-N 1 2 225.248 0.222 20 0 BCADLO COC/C(C)=C/C(=O)NCCCn1cc[nH+]c1 ZINC000845071381 645353578 /nfs/dbraw/zinc/35/35/78/645353578.db2.gz TWBKDBGWTYIZIT-DHZHZOJOSA-N 1 2 237.303 0.982 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000851798310 645468216 /nfs/dbraw/zinc/46/82/16/645468216.db2.gz BWYLYUDFZCXVBO-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000851798310 645468224 /nfs/dbraw/zinc/46/82/24/645468224.db2.gz BWYLYUDFZCXVBO-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ncccc1F ZINC000857507320 645582374 /nfs/dbraw/zinc/58/23/74/645582374.db2.gz PRYNACIUXRFFNX-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Nc1ccc(CNC(=O)COCC2CC2)c[nH+]1 ZINC000927778174 645655955 /nfs/dbraw/zinc/65/59/55/645655955.db2.gz IMDCKPYZMNTZQS-UHFFFAOYSA-N 1 2 235.287 0.707 20 0 BCADLO COC(=O)/C(C)=C\CNC(=O)Cn1cc[nH+]c1 ZINC000927974120 645666051 /nfs/dbraw/zinc/66/60/51/645666051.db2.gz JCOJSNQYRWPCCO-OQFOIZHKSA-N 1 2 237.259 0.119 20 0 BCADLO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555006 645814003 /nfs/dbraw/zinc/81/40/03/645814003.db2.gz MXFLNDRARMSOGS-GXSJLCMTSA-N 1 2 236.319 0.409 20 0 BCADLO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555006 645814008 /nfs/dbraw/zinc/81/40/08/645814008.db2.gz MXFLNDRARMSOGS-GXSJLCMTSA-N 1 2 236.319 0.409 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(F)(F)C(F)F ZINC000928561588 645818799 /nfs/dbraw/zinc/81/87/99/645818799.db2.gz BNKWYLPUHVFXCS-RXMQYKEDSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(F)(F)C(F)F ZINC000928561588 645818806 /nfs/dbraw/zinc/81/88/06/645818806.db2.gz BNKWYLPUHVFXCS-RXMQYKEDSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C=O)c1 ZINC000928562095 645820476 /nfs/dbraw/zinc/82/04/76/645820476.db2.gz DPDJGDDRALKEOS-SECBINFHSA-N 1 2 238.312 0.995 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1csc(C=O)c1 ZINC000928562095 645820478 /nfs/dbraw/zinc/82/04/78/645820478.db2.gz DPDJGDDRALKEOS-SECBINFHSA-N 1 2 238.312 0.995 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C=O)[nH]1 ZINC000928562098 645820645 /nfs/dbraw/zinc/82/06/45/645820645.db2.gz DQUKUVSEYIUISR-VIFPVBQESA-N 1 2 221.260 0.261 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C=O)[nH]1 ZINC000928562098 645820647 /nfs/dbraw/zinc/82/06/47/645820647.db2.gz DQUKUVSEYIUISR-VIFPVBQESA-N 1 2 221.260 0.261 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H](C)C1 ZINC000928585651 645838709 /nfs/dbraw/zinc/83/87/09/645838709.db2.gz ICPARGQJHXTBGP-SECBINFHSA-N 1 2 237.303 0.756 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCOC ZINC000928640689 645852831 /nfs/dbraw/zinc/85/28/31/645852831.db2.gz PAJMFARRHVGPAI-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000928901327 645883683 /nfs/dbraw/zinc/88/36/83/645883683.db2.gz AARAOGXSGDJOAQ-JFGNBEQYSA-N 1 2 249.314 0.597 20 0 BCADLO CON1CC[C@@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000929127045 645950225 /nfs/dbraw/zinc/95/02/25/645950225.db2.gz YQYPJYGAVAOULN-KXUCPTDWSA-N 1 2 228.292 0.258 20 0 BCADLO CON1CC[C@@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000929127045 645950230 /nfs/dbraw/zinc/95/02/30/645950230.db2.gz YQYPJYGAVAOULN-KXUCPTDWSA-N 1 2 228.292 0.258 20 0 BCADLO C[C@H](c1nc(-c2cc(=O)[nH]cn2)no1)[NH+](C)C ZINC000924107926 645980981 /nfs/dbraw/zinc/98/09/81/645980981.db2.gz CDSHAEJXSZFHFZ-ZCFIWIBFSA-N 1 2 235.247 0.855 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC(=O)OC ZINC000929176012 645988017 /nfs/dbraw/zinc/98/80/17/645988017.db2.gz FIUOVXPCIICUST-DTWKUNHWSA-N 1 2 229.276 0.290 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)OC ZINC000929176012 645988028 /nfs/dbraw/zinc/98/80/28/645988028.db2.gz FIUOVXPCIICUST-DTWKUNHWSA-N 1 2 229.276 0.290 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cc(=O)cc[nH]1 ZINC000924135005 645991474 /nfs/dbraw/zinc/99/14/74/645991474.db2.gz SILVZUCYNRYJHT-UHFFFAOYSA-N 1 2 247.254 0.508 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000924564215 646069623 /nfs/dbraw/zinc/06/96/23/646069623.db2.gz MDLLXRYPGNZKIY-HTQZYQBOSA-N 1 2 241.291 0.858 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](O)[C@H](C)O)cs1 ZINC000929342686 646072818 /nfs/dbraw/zinc/07/28/18/646072818.db2.gz GZQJDOYIWLNSEA-WPRPVWTQSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](O)[C@H](C)O)cs1 ZINC000929342686 646072823 /nfs/dbraw/zinc/07/28/23/646072823.db2.gz GZQJDOYIWLNSEA-WPRPVWTQSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1ncc(C[N@@H+]2CCC[C@@H]2C(=O)NC)o1 ZINC000929334071 646085834 /nfs/dbraw/zinc/08/58/34/646085834.db2.gz MCAXKYWJYIHVBW-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1ncc(C[N@H+]2CCC[C@@H]2C(=O)NC)o1 ZINC000929334071 646085842 /nfs/dbraw/zinc/08/58/42/646085842.db2.gz MCAXKYWJYIHVBW-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ncco1 ZINC000924898072 646128313 /nfs/dbraw/zinc/12/83/13/646128313.db2.gz SZFUPYJODGVWAF-HTQZYQBOSA-N 1 2 209.249 0.556 20 0 BCADLO CC[N@H+](CCc1nnc(C)o1)CC(=O)OC ZINC000929503325 646156144 /nfs/dbraw/zinc/15/61/44/646156144.db2.gz GBBBIDPXLZJJGM-UHFFFAOYSA-N 1 2 227.264 0.415 20 0 BCADLO CC[N@@H+](CCc1nnc(C)o1)CC(=O)OC ZINC000929503325 646156147 /nfs/dbraw/zinc/15/61/47/646156147.db2.gz GBBBIDPXLZJJGM-UHFFFAOYSA-N 1 2 227.264 0.415 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000929511392 646160656 /nfs/dbraw/zinc/16/06/56/646160656.db2.gz ONVCJAODNODVCR-NEOSZVFXSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000929511392 646160661 /nfs/dbraw/zinc/16/06/61/646160661.db2.gz ONVCJAODNODVCR-NEOSZVFXSA-N 1 2 243.303 0.453 20 0 BCADLO COC[C@H](CCO)[NH2+][C@@H](C)c1ncco1 ZINC000925113395 646188119 /nfs/dbraw/zinc/18/81/19/646188119.db2.gz WVVMVSNWBFRUCU-IUCAKERBSA-N 1 2 214.265 0.723 20 0 BCADLO Cc1cn(C)nc1C[N@H+](C)[C@@H]1CCOC1 ZINC000929600565 646192122 /nfs/dbraw/zinc/19/21/22/646192122.db2.gz KBNBVNHNXKVYPI-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cn(C)nc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000929600565 646192123 /nfs/dbraw/zinc/19/21/23/646192123.db2.gz KBNBVNHNXKVYPI-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000925212109 646208733 /nfs/dbraw/zinc/20/87/33/646208733.db2.gz FGQLQQGQINJGTE-IONNQARKSA-N 1 2 238.291 0.649 20 0 BCADLO COC/C(C)=C\C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000929626135 646209350 /nfs/dbraw/zinc/20/93/50/646209350.db2.gz HQZLKRPKCSALRL-YAEJEKNGSA-N 1 2 249.376 0.944 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000929626135 646209356 /nfs/dbraw/zinc/20/93/56/646209356.db2.gz HQZLKRPKCSALRL-YAEJEKNGSA-N 1 2 249.376 0.944 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCO[C@H]1CCOC1 ZINC000929655088 646225140 /nfs/dbraw/zinc/22/51/40/646225140.db2.gz UCPFZPYOPIDOQV-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000929655088 646225142 /nfs/dbraw/zinc/22/51/42/646225142.db2.gz UCPFZPYOPIDOQV-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925439377 646284102 /nfs/dbraw/zinc/28/41/02/646284102.db2.gz SLALTXLQMGSBAK-VHSXEESVSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925439377 646284107 /nfs/dbraw/zinc/28/41/07/646284107.db2.gz SLALTXLQMGSBAK-VHSXEESVSA-N 1 2 239.319 0.454 20 0 BCADLO COC(=O)C[N@H+](CCOC1CC1)C1CC1 ZINC000929806742 646328332 /nfs/dbraw/zinc/32/83/32/646328332.db2.gz SJQNLUPUFDDOMH-UHFFFAOYSA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@@H+](CCOC1CC1)C1CC1 ZINC000929806742 646328336 /nfs/dbraw/zinc/32/83/36/646328336.db2.gz SJQNLUPUFDDOMH-UHFFFAOYSA-N 1 2 213.277 0.803 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000929836720 646352091 /nfs/dbraw/zinc/35/20/91/646352091.db2.gz RNPSWNHRDIQCTE-AEJSXWLSSA-N 1 2 233.308 0.000 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000929836720 646352095 /nfs/dbraw/zinc/35/20/95/646352095.db2.gz RNPSWNHRDIQCTE-AEJSXWLSSA-N 1 2 233.308 0.000 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000929851196 646360178 /nfs/dbraw/zinc/36/01/78/646360178.db2.gz BLINLOMGHKZTRO-VIFPVBQESA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000929851196 646360184 /nfs/dbraw/zinc/36/01/84/646360184.db2.gz BLINLOMGHKZTRO-VIFPVBQESA-N 1 2 243.253 0.676 20 0 BCADLO C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930041010 646409736 /nfs/dbraw/zinc/40/97/36/646409736.db2.gz LWDIMSGEILOZST-ZETCQYMHSA-N 1 2 219.244 0.674 20 0 BCADLO O[C@H](C[N@@H+]1CCc2c[nH]nc2C1)C1(O)CCC1 ZINC000930069100 646419463 /nfs/dbraw/zinc/41/94/63/646419463.db2.gz NLUSUXFFYUITMP-LLVKDONJSA-N 1 2 237.303 0.044 20 0 BCADLO O[C@H](C[N@H+]1CCc2c[nH]nc2C1)C1(O)CCC1 ZINC000930069100 646419466 /nfs/dbraw/zinc/41/94/66/646419466.db2.gz NLUSUXFFYUITMP-LLVKDONJSA-N 1 2 237.303 0.044 20 0 BCADLO O[C@H](C[N@@H+]1CCc2cn[nH]c2C1)C1(O)CCC1 ZINC000930069100 646419469 /nfs/dbraw/zinc/41/94/69/646419469.db2.gz NLUSUXFFYUITMP-LLVKDONJSA-N 1 2 237.303 0.044 20 0 BCADLO O[C@H](C[N@H+]1CCc2cn[nH]c2C1)C1(O)CCC1 ZINC000930069100 646419473 /nfs/dbraw/zinc/41/94/73/646419473.db2.gz NLUSUXFFYUITMP-LLVKDONJSA-N 1 2 237.303 0.044 20 0 BCADLO CCn1cc(C[N@H+](C)C2(COC)CC2)nn1 ZINC000930120825 646443457 /nfs/dbraw/zinc/44/34/57/646443457.db2.gz LXUIABKFOIONPJ-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@@H+](C)C2(COC)CC2)nn1 ZINC000930120825 646443461 /nfs/dbraw/zinc/44/34/61/646443461.db2.gz LXUIABKFOIONPJ-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO C[N@H+](CCO[C@H]1CCOC1)Cc1ncc[nH]1 ZINC000930122336 646445123 /nfs/dbraw/zinc/44/51/23/646445123.db2.gz ZLDDXBJUDNYSJZ-JTQLQIEISA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1ncc[nH]1 ZINC000930122336 646445126 /nfs/dbraw/zinc/44/51/26/646445126.db2.gz ZLDDXBJUDNYSJZ-JTQLQIEISA-N 1 2 225.292 0.647 20 0 BCADLO CON1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000930127228 646450822 /nfs/dbraw/zinc/45/08/22/646450822.db2.gz HNIWJBBUFKWVRZ-QMMMGPOBSA-N 1 2 246.257 0.880 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000930142778 646456459 /nfs/dbraw/zinc/45/64/59/646456459.db2.gz MLZDYGHIPFDZMN-RZCNENHTSA-N 1 2 244.360 0.482 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCSC[C@H]1C(N)=O ZINC000930142778 646456460 /nfs/dbraw/zinc/45/64/60/646456460.db2.gz MLZDYGHIPFDZMN-RZCNENHTSA-N 1 2 244.360 0.482 20 0 BCADLO COC(=O)[C@]1([NH2+]CC2CC(C)C2)CCOC1 ZINC000930154703 646462287 /nfs/dbraw/zinc/46/22/87/646462287.db2.gz GMVSORKBQOQAJR-CBINBANVSA-N 1 2 227.304 0.954 20 0 BCADLO COC[C@H](CCC[NH3+])[NH2+]Cc1cc(N)cc[nH+]1 ZINC000925766340 646468844 /nfs/dbraw/zinc/46/88/44/646468844.db2.gz JCEXEIUSICSWMT-NSHDSACASA-N 1 2 238.335 0.507 20 0 BCADLO CCOCC[N@H+](C)C[C@H]1CCCS1(=O)=O ZINC000930175540 646473147 /nfs/dbraw/zinc/47/31/47/646473147.db2.gz MHMSFXKLLSHHCZ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCOCC[N@@H+](C)C[C@H]1CCCS1(=O)=O ZINC000930175540 646473150 /nfs/dbraw/zinc/47/31/50/646473150.db2.gz MHMSFXKLLSHHCZ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)C[C@@]1(O)CCOC1 ZINC000930175737 646478399 /nfs/dbraw/zinc/47/83/99/646478399.db2.gz VGLNYJUZKRWOIW-NEPJUHHUSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@@H](C[N@H+]1CCC=C(F)C1)C[C@@]1(O)CCOC1 ZINC000930175737 646478401 /nfs/dbraw/zinc/47/84/01/646478401.db2.gz VGLNYJUZKRWOIW-NEPJUHHUSA-N 1 2 245.294 0.448 20 0 BCADLO CCOCC[N@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000930175539 646478433 /nfs/dbraw/zinc/47/84/33/646478433.db2.gz MHMSFXKLLSHHCZ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCOCC[N@@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000930175539 646478437 /nfs/dbraw/zinc/47/84/37/646478437.db2.gz MHMSFXKLLSHHCZ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CNOC2)nn1C ZINC000925860348 646512248 /nfs/dbraw/zinc/51/22/48/646512248.db2.gz PANPHWZZVNKXID-RKDXNWHRSA-N 1 2 210.281 0.283 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CNOC1 ZINC000926106470 646574006 /nfs/dbraw/zinc/57/40/06/646574006.db2.gz SZGHRQYZGPCAMI-VIFPVBQESA-N 1 2 247.258 0.359 20 0 BCADLO Cc1nnc(CC[NH2+][C@@H](C)c2cnn(C)n2)[nH]1 ZINC000926114869 646575979 /nfs/dbraw/zinc/57/59/79/646575979.db2.gz LPOHSUPWAYNBSU-ZETCQYMHSA-N 1 2 235.295 0.135 20 0 BCADLO COC[C@H](CO)[NH2+][C@@H](C)c1nonc1C ZINC000926336963 646619155 /nfs/dbraw/zinc/61/91/55/646619155.db2.gz GVVXQQJANDUTRM-XPUUQOCRSA-N 1 2 215.253 0.036 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000926505177 646665643 /nfs/dbraw/zinc/66/56/43/646665643.db2.gz DHNFOAKUKDZQNT-VIFPVBQESA-N 1 2 249.318 0.296 20 0 BCADLO Cc1nnc(NC(=O)C[C@H]([NH3+])C(F)F)s1 ZINC000724753760 711610777 /nfs/dbraw/zinc/61/07/77/711610777.db2.gz YRGHDBYBGRMXGN-BYPYZUCNSA-N 1 2 236.247 0.768 20 0 BCADLO Cc1cc(CN(C)C(=O)C[C@H]([NH3+])C(F)F)no1 ZINC000724741915 711610100 /nfs/dbraw/zinc/61/01/00/711610100.db2.gz BKYHHBUNQSVLPV-QMMMGPOBSA-N 1 2 247.245 0.924 20 0 BCADLO OC1CC2(C[C@H]2Nc2cc[nH+]cc2F)C1 ZINC000724940588 711632281 /nfs/dbraw/zinc/63/22/81/711632281.db2.gz MOSWZSJKKLZQGT-DCKZXCDOSA-N 1 2 208.236 0.968 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721943112 711694732 /nfs/dbraw/zinc/69/47/32/711694732.db2.gz NCBUDQCSGJRHEQ-NKWVEPMBSA-N 1 2 248.735 0.582 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721943112 711694733 /nfs/dbraw/zinc/69/47/33/711694733.db2.gz NCBUDQCSGJRHEQ-NKWVEPMBSA-N 1 2 248.735 0.582 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)nn1 ZINC000893555954 711735699 /nfs/dbraw/zinc/73/56/99/711735699.db2.gz NBQNVWHZKZNKES-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)nn1 ZINC000893555954 711735700 /nfs/dbraw/zinc/73/57/00/711735700.db2.gz NBQNVWHZKZNKES-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722390848 711753618 /nfs/dbraw/zinc/75/36/18/711753618.db2.gz UZWUGYYVMURXKG-UHFFFAOYSA-N 1 2 228.321 0.634 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnsn1 ZINC000291115107 711768815 /nfs/dbraw/zinc/76/88/15/711768815.db2.gz CXAKKYQVCRSOOX-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO COCC[NH2+]Cc1nc([C@@H]2C[C@H]2C)no1 ZINC000083810998 711810148 /nfs/dbraw/zinc/81/01/48/711810148.db2.gz ZVWDOEGWLGBURC-HTQZYQBOSA-N 1 2 211.265 0.929 20 0 BCADLO Cc1nc(NCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000165214407 711825825 /nfs/dbraw/zinc/82/58/25/711825825.db2.gz QVZYQSIRFLRDLB-UHFFFAOYSA-N 1 2 219.248 0.799 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388141514 711843649 /nfs/dbraw/zinc/84/36/49/711843649.db2.gz GIWWKPUOLYCTKD-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388141514 711843652 /nfs/dbraw/zinc/84/36/52/711843652.db2.gz GIWWKPUOLYCTKD-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721943110 711945092 /nfs/dbraw/zinc/94/50/92/711945092.db2.gz NCBUDQCSGJRHEQ-BQBZGAKWSA-N 1 2 248.735 0.582 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721943110 711945094 /nfs/dbraw/zinc/94/50/94/711945094.db2.gz NCBUDQCSGJRHEQ-BQBZGAKWSA-N 1 2 248.735 0.582 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2csnn2)C1 ZINC001054300401 711945504 /nfs/dbraw/zinc/94/55/04/711945504.db2.gz DKXLBSQDSUSZNO-XCBNKYQSSA-N 1 2 240.332 0.495 20 0 BCADLO Cc1cnnc(NC[C@H]2COCC[N@H+]2C)c1 ZINC000700172291 711987425 /nfs/dbraw/zinc/98/74/25/711987425.db2.gz ZVCLRMMXVVUEQU-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnnc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC000700172291 711987426 /nfs/dbraw/zinc/98/74/26/711987426.db2.gz ZVCLRMMXVVUEQU-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711821832 712333335 /nfs/dbraw/zinc/33/33/35/712333335.db2.gz VMFCLYGUGDWZEY-UHFFFAOYSA-N 1 2 238.291 0.327 20 0 BCADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc[nH]1 ZINC000378862394 712364082 /nfs/dbraw/zinc/36/40/82/712364082.db2.gz SUPPIVCGPBXMIO-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO CCS(=O)(=O)CC[N@H+](CCCO)C1CC1 ZINC000379712353 712392534 /nfs/dbraw/zinc/39/25/34/712392534.db2.gz LZVMJYOFYQLUAM-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](CCCO)C1CC1 ZINC000379712353 712392535 /nfs/dbraw/zinc/39/25/35/712392535.db2.gz LZVMJYOFYQLUAM-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO CC1(C)CC[C@H](C[N@@H+]2CCOC[C@H]2CO)OC1 ZINC000713572158 712465777 /nfs/dbraw/zinc/46/57/77/712465777.db2.gz XVYJSMGKTFTTRD-VXGBXAGGSA-N 1 2 243.347 0.885 20 0 BCADLO CC1(C)CC[C@H](C[N@H+]2CCOC[C@H]2CO)OC1 ZINC000713572158 712465778 /nfs/dbraw/zinc/46/57/78/712465778.db2.gz XVYJSMGKTFTTRD-VXGBXAGGSA-N 1 2 243.347 0.885 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715901109 712541241 /nfs/dbraw/zinc/54/12/41/712541241.db2.gz IRSSFBQQLGPVBK-RKDXNWHRSA-N 1 2 239.323 0.333 20 0 BCADLO CCCNc1cc(NC[C@@H](O)[C@@H](C)O)nc[nH+]1 ZINC000717333238 712649434 /nfs/dbraw/zinc/64/94/34/712649434.db2.gz VNDIELRMYAZSAJ-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CCCNc1cc(NC[C@@H](O)[C@@H](C)O)[nH+]cn1 ZINC000717333238 712649436 /nfs/dbraw/zinc/64/94/36/712649436.db2.gz VNDIELRMYAZSAJ-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO OC/C=C/C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000717439199 712657976 /nfs/dbraw/zinc/65/79/76/712657976.db2.gz ZRTFNBJDJAXHKO-TXXBHVLJSA-N 1 2 207.277 0.925 20 0 BCADLO Cc1conc1C[N@H+](C)CCOCCO ZINC000720363901 712835796 /nfs/dbraw/zinc/83/57/96/712835796.db2.gz QQOFJZOAOJEGRL-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO Cc1conc1C[N@@H+](C)CCOCCO ZINC000720363901 712835798 /nfs/dbraw/zinc/83/57/98/712835798.db2.gz QQOFJZOAOJEGRL-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001037981643 712895915 /nfs/dbraw/zinc/89/59/15/712895915.db2.gz VCOFXZXXQJOMIC-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001037981643 712895917 /nfs/dbraw/zinc/89/59/17/712895917.db2.gz VCOFXZXXQJOMIC-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)C1([NH2+]Cc2c[nH]cn2)CCCC1 ZINC000381292004 710617762 /nfs/dbraw/zinc/61/77/62/710617762.db2.gz DNMIFTNQMIDZPI-UHFFFAOYSA-N 1 2 222.292 0.558 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018375720 710665971 /nfs/dbraw/zinc/66/59/71/710665971.db2.gz LVCPRQAARGJYBI-QMMMGPOBSA-N 1 2 240.332 0.639 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC001042479748 710786659 /nfs/dbraw/zinc/78/66/59/710786659.db2.gz LHDRVBUIVWIUGJ-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)c2ccccn2)C1 ZINC001042410844 710781611 /nfs/dbraw/zinc/78/16/11/710781611.db2.gz JHKYQTXHOVVCIK-UHFFFAOYSA-N 1 2 249.314 0.484 20 0 BCADLO CN(C(=O)CC1CCCC1)C1C[NH+](CCO)C1 ZINC001042429574 710782317 /nfs/dbraw/zinc/78/23/17/710782317.db2.gz OYAFAIYKQMWELT-UHFFFAOYSA-N 1 2 240.347 0.702 20 0 BCADLO CN(C(=O)C[C@H]1C=CCC1)C1C[NH+](CCO)C1 ZINC001042458623 710784649 /nfs/dbraw/zinc/78/46/49/710784649.db2.gz SAEKEERTXCXCEK-NSHDSACASA-N 1 2 238.331 0.478 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001042503916 710789575 /nfs/dbraw/zinc/78/95/75/710789575.db2.gz XSGUJQOJGOYYQP-UHFFFAOYSA-N 1 2 208.265 0.186 20 0 BCADLO CCn1cc(C(=O)N(C)C2C[NH+](CC)C2)cn1 ZINC001042551908 710791539 /nfs/dbraw/zinc/79/15/39/710791539.db2.gz NBDRDRNEYFKINY-UHFFFAOYSA-N 1 2 236.319 0.679 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccncc2F)C1 ZINC001042565973 710792895 /nfs/dbraw/zinc/79/28/95/710792895.db2.gz NGCSSSRXQKQQND-UHFFFAOYSA-N 1 2 237.278 0.997 20 0 BCADLO CN(C(=O)[C@H]1CC1(C)C)C1C[NH+](CCO)C1 ZINC001042625724 710795633 /nfs/dbraw/zinc/79/56/33/710795633.db2.gz NFVXNZZJLVIXIL-SNVBAGLBSA-N 1 2 226.320 0.167 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001042698022 710797507 /nfs/dbraw/zinc/79/75/07/710797507.db2.gz NDUDCWPDRQZJKM-UHFFFAOYSA-N 1 2 208.265 0.186 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2coc(OC)n2)C1 ZINC001043482634 710808082 /nfs/dbraw/zinc/80/80/82/710808082.db2.gz KKLUAKCFPHJGEV-UHFFFAOYSA-N 1 2 239.275 0.459 20 0 BCADLO CN(C(=O)C1(C)CCC1)C1C[NH+](CCO)C1 ZINC001043542932 710808458 /nfs/dbraw/zinc/80/84/58/710808458.db2.gz YDDMFXXZFGKQBK-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001043508440 710808518 /nfs/dbraw/zinc/80/85/18/710808518.db2.gz UAXDNQCIVKDWER-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO C[C@H]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043998345 710815989 /nfs/dbraw/zinc/81/59/89/710815989.db2.gz DTKOLIAJELKNQU-QWRGUYRKSA-N 1 2 240.347 0.558 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cccnn2)C1 ZINC001044079363 710818036 /nfs/dbraw/zinc/81/80/36/710818036.db2.gz IMUBPFRYGDKLMM-UHFFFAOYSA-N 1 2 220.276 0.253 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044124749 710819706 /nfs/dbraw/zinc/81/97/06/710819706.db2.gz OPPZGFDRJVKFPW-AAEUAGOBSA-N 1 2 240.347 0.558 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ncccc2OC)C1 ZINC001044232119 710821922 /nfs/dbraw/zinc/82/19/22/710821922.db2.gz PMGXLHRDTVNUNA-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO Cc1c[nH]cc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044288783 710822348 /nfs/dbraw/zinc/82/23/48/710822348.db2.gz JNTDMKMWWOOVPE-UHFFFAOYSA-N 1 2 237.303 0.072 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2nonc2C)C1 ZINC001044368509 710824197 /nfs/dbraw/zinc/82/41/97/710824197.db2.gz UHNBLSXNSKGWKM-UHFFFAOYSA-N 1 2 238.291 0.544 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047490858 710872096 /nfs/dbraw/zinc/87/20/96/710872096.db2.gz DXZURAVXMSSOOP-NAKRPEOUSA-N 1 2 244.310 0.115 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047490858 710872100 /nfs/dbraw/zinc/87/21/00/710872100.db2.gz DXZURAVXMSSOOP-NAKRPEOUSA-N 1 2 244.310 0.115 20 0 BCADLO c1cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)[nH]n1 ZINC000903092502 710891050 /nfs/dbraw/zinc/89/10/50/710891050.db2.gz KSVJMGMPBQOBRM-MNOVXSKESA-N 1 2 223.276 0.447 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]Cc1cnsn1 ZINC000399728926 710912686 /nfs/dbraw/zinc/91/26/86/710912686.db2.gz IXUMQIRRVUXEKS-MRVPVSSYSA-N 1 2 223.305 0.913 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC1 ZINC001050780763 710916564 /nfs/dbraw/zinc/91/65/64/710916564.db2.gz NEXHLGNDBWGKTA-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC1 ZINC001050780763 710916566 /nfs/dbraw/zinc/91/65/66/710916566.db2.gz NEXHLGNDBWGKTA-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001052758037 710918795 /nfs/dbraw/zinc/91/87/95/710918795.db2.gz MITQXJZTLDBXKD-BXKDBHETSA-N 1 2 248.330 0.993 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C1CCC1)CCO2 ZINC001053120423 710919765 /nfs/dbraw/zinc/91/97/65/710919765.db2.gz RWCHCMVXQTXZKB-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C)CCO2 ZINC001053140361 710919787 /nfs/dbraw/zinc/91/97/87/710919787.db2.gz FJUDXTXVHJWIRY-QWRGUYRKSA-N 1 2 238.331 0.576 20 0 BCADLO CCC[NH+]1CC2(C1)CN(C(=O)C1CC1)CCO2 ZINC001053117858 710919835 /nfs/dbraw/zinc/91/98/35/710919835.db2.gz QMIMRPYKGXKVKL-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO CCC[NH+]1CC2(C1)CN(C(=O)C(C)C)CCO2 ZINC001053162075 710919944 /nfs/dbraw/zinc/91/99/44/710919944.db2.gz FUFKXJVQLRGHIB-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC1)CO2 ZINC001053713371 710920992 /nfs/dbraw/zinc/92/09/92/710920992.db2.gz JNKXXKGJNHUFKB-JTQLQIEISA-N 1 2 224.304 0.376 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)C)CO2 ZINC001053740291 710923082 /nfs/dbraw/zinc/92/30/82/710923082.db2.gz HKYMKLXDEGBIQM-SNVBAGLBSA-N 1 2 226.320 0.622 20 0 BCADLO COC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382472645 710971245 /nfs/dbraw/zinc/97/12/45/710971245.db2.gz HFMWBXKNOLHJNI-SNVBAGLBSA-N 1 2 228.292 0.549 20 0 BCADLO CC(=O)NCCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000383489419 710983581 /nfs/dbraw/zinc/98/35/81/710983581.db2.gz RZRCXYPUZLQIJY-SECBINFHSA-N 1 2 244.335 0.832 20 0 BCADLO CNc1cc(N2C[C@@H](C)[C@H](O)C2)nc[nH+]1 ZINC000388314890 711058881 /nfs/dbraw/zinc/05/88/81/711058881.db2.gz YAGDJLVSQMKWRY-HTQZYQBOSA-N 1 2 208.265 0.335 20 0 BCADLO CNc1cc(N2C[C@@H](C)[C@H](O)C2)[nH+]cn1 ZINC000388314890 711058885 /nfs/dbraw/zinc/05/88/85/711058885.db2.gz YAGDJLVSQMKWRY-HTQZYQBOSA-N 1 2 208.265 0.335 20 0 BCADLO CC(C)(O)CC[NH2+][C@]1(C)CCOC1=O ZINC000389284264 711075415 /nfs/dbraw/zinc/07/54/15/711075415.db2.gz ULYDCYJRJMHGDC-SNVBAGLBSA-N 1 2 201.266 0.443 20 0 BCADLO CCc1nc(C[NH2+][C@H](CCO)C2CC2)no1 ZINC000390402843 711114998 /nfs/dbraw/zinc/11/49/98/711114998.db2.gz AKYSHLNEHYJTCF-SECBINFHSA-N 1 2 225.292 0.883 20 0 BCADLO CC[NH+]1CCN(C(=O)c2oncc2C)CC1 ZINC000073151982 711140500 /nfs/dbraw/zinc/14/05/00/711140500.db2.gz JGUNJTFAORNWFW-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000393600768 711165743 /nfs/dbraw/zinc/16/57/43/711165743.db2.gz RUUMLAQDAVQBRJ-UHFFFAOYSA-N 1 2 249.314 0.507 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ncccc2O)n1 ZINC000393750853 711172935 /nfs/dbraw/zinc/17/29/35/711172935.db2.gz RGWDZJNJGUYBSL-UHFFFAOYSA-N 1 2 219.248 0.206 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000398483250 711410757 /nfs/dbraw/zinc/41/07/57/711410757.db2.gz XXWICOUEQHQDJO-MRVPVSSYSA-N 1 2 235.291 0.091 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000398483250 711410763 /nfs/dbraw/zinc/41/07/63/711410763.db2.gz XXWICOUEQHQDJO-MRVPVSSYSA-N 1 2 235.291 0.091 20 0 BCADLO CNc1cc(N2C[C@@H](C)C[C@H](CO)C2)nc[nH+]1 ZINC000398616898 711413366 /nfs/dbraw/zinc/41/33/66/711413366.db2.gz DBRYCKVFANUKDS-UWVGGRQHSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2C[C@@H](C)C[C@H](CO)C2)[nH+]cn1 ZINC000398616898 711413367 /nfs/dbraw/zinc/41/33/67/711413367.db2.gz DBRYCKVFANUKDS-UWVGGRQHSA-N 1 2 236.319 0.973 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccsn1 ZINC001014874090 710612507 /nfs/dbraw/zinc/61/25/07/710612507.db2.gz GRDNWAKWTQNQHM-MRVPVSSYSA-N 1 2 243.307 0.917 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccsn1 ZINC001014874090 710612509 /nfs/dbraw/zinc/61/25/09/710612509.db2.gz GRDNWAKWTQNQHM-MRVPVSSYSA-N 1 2 243.307 0.917 20 0 BCADLO Cn1cc(NC(=O)C[C@@H]([NH3+])C(F)F)ccc1=O ZINC000724770969 710744864 /nfs/dbraw/zinc/74/48/64/710744864.db2.gz IVSZDZMGQITOMP-SSDOTTSWSA-N 1 2 245.229 0.306 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C)CO2 ZINC001053894029 710922183 /nfs/dbraw/zinc/92/21/83/710922183.db2.gz FSIALGFCUKKXQR-GMTAPVOTSA-N 1 2 238.331 0.622 20 0 BCADLO Cc1nnc(CNc2[nH+]cnc3c2cnn3C)[nH]1 ZINC000392514856 711148296 /nfs/dbraw/zinc/14/82/96/711148296.db2.gz ROTXTLZSPZVVCR-UHFFFAOYSA-N 1 2 244.262 0.402 20 0 BCADLO CNc1cc(N[C@H]2CCNC(=O)CC2)[nH+]cn1 ZINC000396694631 711365384 /nfs/dbraw/zinc/36/53/84/711365384.db2.gz FZJRRSZXXVJSOB-MRVPVSSYSA-N 1 2 235.291 0.599 20 0 BCADLO CNc1cc(N(C)[C@@H]2CCOC2)nc[nH+]1 ZINC000134805290 711560800 /nfs/dbraw/zinc/56/08/00/711560800.db2.gz INMZBKQJJAFRCX-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N(C)[C@@H]2CCOC2)[nH+]cn1 ZINC000134805290 711560802 /nfs/dbraw/zinc/56/08/02/711560802.db2.gz INMZBKQJJAFRCX-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1F ZINC000934565200 711594082 /nfs/dbraw/zinc/59/40/82/711594082.db2.gz IWMYNOGHQIKKCP-DJLDLDEBSA-N 1 2 239.237 0.815 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1F ZINC000934565200 711594083 /nfs/dbraw/zinc/59/40/83/711594083.db2.gz IWMYNOGHQIKKCP-DJLDLDEBSA-N 1 2 239.237 0.815 20 0 BCADLO Cn1ncc(C[NH2+]C[C@](C)(O)C(F)(F)F)n1 ZINC000382398235 711601507 /nfs/dbraw/zinc/60/15/07/711601507.db2.gz OWQCVPQDIOVYEI-ZETCQYMHSA-N 1 2 238.213 0.218 20 0 BCADLO Cc1cc(NC(=O)C[C@H]([NH3+])C(F)F)n(C)n1 ZINC000724694011 711608548 /nfs/dbraw/zinc/60/85/48/711608548.db2.gz ZOVUGMSQSNGWSC-LURJTMIESA-N 1 2 232.234 0.650 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1c[nH]nc1C ZINC000724785747 711614996 /nfs/dbraw/zinc/61/49/96/711614996.db2.gz FZODDNXKRMSIFM-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1c[nH]nc1C ZINC000724785747 711614997 /nfs/dbraw/zinc/61/49/97/711614997.db2.gz FZODDNXKRMSIFM-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CNc1cc(N[C@@H]2COCC[C@H]2OC)nc[nH+]1 ZINC000725016653 711642952 /nfs/dbraw/zinc/64/29/52/711642952.db2.gz LMLIWQZNJOTXDG-RKDXNWHRSA-N 1 2 238.291 0.734 20 0 BCADLO CNc1cc(N[C@@H]2COCC[C@H]2OC)[nH+]cn1 ZINC000725016653 711642954 /nfs/dbraw/zinc/64/29/54/711642954.db2.gz LMLIWQZNJOTXDG-RKDXNWHRSA-N 1 2 238.291 0.734 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc[nH]c1 ZINC000782280228 711653859 /nfs/dbraw/zinc/65/38/59/711653859.db2.gz JLWZTZUNDLHZQI-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000395079242 711692268 /nfs/dbraw/zinc/69/22/68/711692268.db2.gz VJVZQIZHAHHHNQ-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nnnn1C1CC1 ZINC000395079242 711692271 /nfs/dbraw/zinc/69/22/71/711692271.db2.gz VJVZQIZHAHHHNQ-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000334595918 711718038 /nfs/dbraw/zinc/71/80/38/711718038.db2.gz PHLYMXYHTMFQQL-RKDXNWHRSA-N 1 2 248.330 0.926 20 0 BCADLO CN(C)c1cc(N2CCC[C@H]2CCO)nc[nH+]1 ZINC000258629324 711739056 /nfs/dbraw/zinc/73/90/56/711739056.db2.gz DPNQWUMTMWYYCZ-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@H]2CCO)[nH+]cn1 ZINC000258629324 711739058 /nfs/dbraw/zinc/73/90/58/711739058.db2.gz DPNQWUMTMWYYCZ-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO O=C(c1cn[nH]c1)N1CCC[N@@H+](CCF)CC1 ZINC000980755113 711747972 /nfs/dbraw/zinc/74/79/72/711747972.db2.gz COVGGZFAUSGDNX-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO O=C(c1cn[nH]c1)N1CCC[N@H+](CCF)CC1 ZINC000980755113 711747973 /nfs/dbraw/zinc/74/79/73/711747973.db2.gz COVGGZFAUSGDNX-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCOC[C@H](C)C1 ZINC000399521249 711749911 /nfs/dbraw/zinc/74/99/11/711749911.db2.gz JZFRQLNCSZGSQY-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCOC[C@H](C)C1 ZINC000399521249 711749912 /nfs/dbraw/zinc/74/99/12/711749912.db2.gz JZFRQLNCSZGSQY-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO CN(C)c1cc(N2CC[C@H](O)[C@@H](F)C2)nc[nH+]1 ZINC000897374760 711788423 /nfs/dbraw/zinc/78/84/23/711788423.db2.gz BRZOGFFZKBYGKT-IUCAKERBSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@H](O)[C@@H](F)C2)[nH+]cn1 ZINC000897374760 711788424 /nfs/dbraw/zinc/78/84/24/711788424.db2.gz BRZOGFFZKBYGKT-IUCAKERBSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](O)[C@H](F)C2)nc[nH+]1 ZINC000897374761 711788488 /nfs/dbraw/zinc/78/84/88/711788488.db2.gz BRZOGFFZKBYGKT-RKDXNWHRSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@@H](O)[C@H](F)C2)[nH+]cn1 ZINC000897374761 711788489 /nfs/dbraw/zinc/78/84/89/711788489.db2.gz BRZOGFFZKBYGKT-RKDXNWHRSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@H](O)[C@H](F)C2)nc[nH+]1 ZINC000897374758 711788517 /nfs/dbraw/zinc/78/85/17/711788517.db2.gz BRZOGFFZKBYGKT-BDAKNGLRSA-N 1 2 240.282 0.452 20 0 BCADLO CN(C)c1cc(N2CC[C@H](O)[C@H](F)C2)[nH+]cn1 ZINC000897374758 711788519 /nfs/dbraw/zinc/78/85/19/711788519.db2.gz BRZOGFFZKBYGKT-BDAKNGLRSA-N 1 2 240.282 0.452 20 0 BCADLO O[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1F ZINC000897375279 711788551 /nfs/dbraw/zinc/78/85/51/711788551.db2.gz PFEXQMXBTQJACG-WPRPVWTQSA-N 1 2 236.250 0.638 20 0 BCADLO CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001076654512 711806388 /nfs/dbraw/zinc/80/63/88/711806388.db2.gz UKXLFSCRAZIVPG-HUGTUPKYSA-N 1 2 232.711 0.310 20 0 BCADLO CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001076654512 711806389 /nfs/dbraw/zinc/80/63/89/711806389.db2.gz UKXLFSCRAZIVPG-HUGTUPKYSA-N 1 2 232.711 0.310 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)c1ccn(C)n1 ZINC000907458819 711815545 /nfs/dbraw/zinc/81/55/45/711815545.db2.gz JEGJSDDDQJUMOK-UHFFFAOYSA-N 1 2 245.286 0.890 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000907535223 711815799 /nfs/dbraw/zinc/81/57/99/711815799.db2.gz SAJUVFHAUFHOTI-VHSXEESVSA-N 1 2 249.314 0.769 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000907535221 711815822 /nfs/dbraw/zinc/81/58/22/711815822.db2.gz SAJUVFHAUFHOTI-NXEZZACHSA-N 1 2 249.314 0.769 20 0 BCADLO C[C@H]1CCC[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030357676 711831610 /nfs/dbraw/zinc/83/16/10/711831610.db2.gz LSEHPUMYSQJJMO-WDEREUQCSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001030429677 711833172 /nfs/dbraw/zinc/83/31/72/711833172.db2.gz SQHDMBIAKZZJEG-UHFFFAOYSA-N 1 2 249.314 0.521 20 0 BCADLO Cc1n[nH]cc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030767615 711842580 /nfs/dbraw/zinc/84/25/80/711842580.db2.gz OFRXOHZLEJOGBT-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO CC[NH+]1CC(NC(=O)c2coc(COC)n2)C1 ZINC001031164635 711865221 /nfs/dbraw/zinc/86/52/21/711865221.db2.gz NBGDCIJOXKGENN-UHFFFAOYSA-N 1 2 239.275 0.255 20 0 BCADLO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1nncn1C ZINC000382472276 711897858 /nfs/dbraw/zinc/89/78/58/711897858.db2.gz FMLFKTIIMRQNMG-BZJXQOFCSA-N 1 2 238.291 0.585 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)[C@@H](C)C1 ZINC001054300782 711946133 /nfs/dbraw/zinc/94/61/33/711946133.db2.gz PNTZPSGTEDKEKA-XVKPBYJWSA-N 1 2 240.332 0.495 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001032844844 711961371 /nfs/dbraw/zinc/96/13/71/711961371.db2.gz WWKILSGGGKIKGK-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001032844844 711961372 /nfs/dbraw/zinc/96/13/72/711961372.db2.gz WWKILSGGGKIKGK-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H](O)C1CCC1 ZINC000922789909 711976737 /nfs/dbraw/zinc/97/67/37/711976737.db2.gz DQNHOILQTRZBSN-JTQLQIEISA-N 1 2 236.271 0.868 20 0 BCADLO CN(C(=O)c1cnco1)[C@H]1CC[N@H+](CCF)C1 ZINC001033309285 711981983 /nfs/dbraw/zinc/98/19/83/711981983.db2.gz MSOXZDPUJIYRDR-VIFPVBQESA-N 1 2 241.266 0.790 20 0 BCADLO CN(C(=O)c1cnco1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033309285 711981985 /nfs/dbraw/zinc/98/19/85/711981985.db2.gz MSOXZDPUJIYRDR-VIFPVBQESA-N 1 2 241.266 0.790 20 0 BCADLO CCn1cc(C[NH2+]Cc2cncc(OC)c2)nn1 ZINC000700116165 711986222 /nfs/dbraw/zinc/98/62/22/711986222.db2.gz QAHXHQYQQXJJMC-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CNc1cc(N2CC[C@@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000700452836 711995151 /nfs/dbraw/zinc/99/51/51/711995151.db2.gz VQFDISFJXJHWAR-ZJUUUORDSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2CC[C@@H](C)[C@H](CO)C2)[nH+]cn1 ZINC000700452836 711995153 /nfs/dbraw/zinc/99/51/53/711995153.db2.gz VQFDISFJXJHWAR-ZJUUUORDSA-N 1 2 236.319 0.973 20 0 BCADLO CC[N@H+](CCOC1CCOCC1)CC(=O)OC ZINC000701388510 712022203 /nfs/dbraw/zinc/02/22/03/712022203.db2.gz DGUQWCLGENBLIL-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@@H+](CCOC1CCOCC1)CC(=O)OC ZINC000701388510 712022204 /nfs/dbraw/zinc/02/22/04/712022204.db2.gz DGUQWCLGENBLIL-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO CCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000701674955 712027128 /nfs/dbraw/zinc/02/71/28/712027128.db2.gz WTRIKUYHXDMSQG-RYUDHWBXSA-N 1 2 230.352 0.410 20 0 BCADLO CCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000701674955 712027129 /nfs/dbraw/zinc/02/71/29/712027129.db2.gz WTRIKUYHXDMSQG-RYUDHWBXSA-N 1 2 230.352 0.410 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365605259 712033211 /nfs/dbraw/zinc/03/32/11/712033211.db2.gz XGNBJWRHXYDHEQ-NXEZZACHSA-N 1 2 237.303 0.507 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702999254 712063919 /nfs/dbraw/zinc/06/39/19/712063919.db2.gz ZWDBCEUIOQGPCV-SILCLGDVSA-N 1 2 215.293 0.831 20 0 BCADLO Cc1nc(NC[C@H]2COCC[N@H+]2C)cc(=O)[nH]1 ZINC000704051035 712099331 /nfs/dbraw/zinc/09/93/31/712099331.db2.gz ZAKRBZURLAWYFD-VIFPVBQESA-N 1 2 238.291 0.233 20 0 BCADLO Cc1nc(NC[C@H]2COCC[N@@H+]2C)cc(=O)[nH]1 ZINC000704051035 712099332 /nfs/dbraw/zinc/09/93/32/712099332.db2.gz ZAKRBZURLAWYFD-VIFPVBQESA-N 1 2 238.291 0.233 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2CC(=O)N(C)C2)s1 ZINC000704652486 712112529 /nfs/dbraw/zinc/11/25/29/712112529.db2.gz QWXDIAAMLCMSKA-ZETCQYMHSA-N 1 2 226.305 0.167 20 0 BCADLO C[C@@](O)(C[NH2+]Cc1ncccn1)C(F)(F)F ZINC000705117843 712122439 /nfs/dbraw/zinc/12/24/39/712122439.db2.gz YQVNDBWSGVDOMR-MRVPVSSYSA-N 1 2 235.209 0.880 20 0 BCADLO CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000705746958 712135867 /nfs/dbraw/zinc/13/58/67/712135867.db2.gz ZSAKXXDJJBQQTR-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CNc1cc(N(C)C[C@@H](O)C2CC2)nc[nH+]1 ZINC000708562421 712213454 /nfs/dbraw/zinc/21/34/54/712213454.db2.gz RDLAMQMSNCSIHI-SECBINFHSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N(C)C[C@@H](O)C2CC2)[nH+]cn1 ZINC000708562421 712213455 /nfs/dbraw/zinc/21/34/55/712213455.db2.gz RDLAMQMSNCSIHI-SECBINFHSA-N 1 2 222.292 0.725 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000710157449 712246078 /nfs/dbraw/zinc/24/60/78/712246078.db2.gz CQGVPUQQBXFZDG-VHSXEESVSA-N 1 2 245.300 0.181 20 0 BCADLO O=C(C[NH2+]Cc1nccn1C1CC1)NC1CC1 ZINC000711744489 712325980 /nfs/dbraw/zinc/32/59/80/712325980.db2.gz CPAUTHQUAKGGAW-UHFFFAOYSA-N 1 2 234.303 0.586 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711759073 712326643 /nfs/dbraw/zinc/32/66/43/712326643.db2.gz LFRZYYCJRGZXDW-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711759073 712326645 /nfs/dbraw/zinc/32/66/45/712326645.db2.gz LFRZYYCJRGZXDW-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)c1cocn1 ZINC001079491083 712348593 /nfs/dbraw/zinc/34/85/93/712348593.db2.gz RFAKPRNGQBXKIE-RKDXNWHRSA-N 1 2 241.266 0.694 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)c1cocn1 ZINC001079491083 712348595 /nfs/dbraw/zinc/34/85/95/712348595.db2.gz RFAKPRNGQBXKIE-RKDXNWHRSA-N 1 2 241.266 0.694 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1nccc2nc[nH]c21 ZINC000714230746 712479651 /nfs/dbraw/zinc/47/96/51/712479651.db2.gz WFSFLBUUKYYYGQ-SECBINFHSA-N 1 2 247.302 0.700 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1nccc2nc[nH]c21 ZINC000714230746 712479653 /nfs/dbraw/zinc/47/96/53/712479653.db2.gz WFSFLBUUKYYYGQ-SECBINFHSA-N 1 2 247.302 0.700 20 0 BCADLO CCCn1cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn1 ZINC000714458184 712490923 /nfs/dbraw/zinc/49/09/23/712490923.db2.gz JHHCULFBMXRYGO-VIFPVBQESA-N 1 2 239.323 0.254 20 0 BCADLO CCCn1cc(C[NH2+][C@@H](CC)C(=O)NC)nn1 ZINC000714511753 712493644 /nfs/dbraw/zinc/49/36/44/712493644.db2.gz CNCHYLDRGRZIQK-JTQLQIEISA-N 1 2 239.323 0.302 20 0 BCADLO Cc1nc(N2C[C@H]3[C@@H](C2)C3(F)F)nc(N)[nH+]1 ZINC000715432522 712518721 /nfs/dbraw/zinc/51/87/21/712518721.db2.gz ARSGWSCEIVRDJQ-OLQVQODUSA-N 1 2 227.218 0.464 20 0 BCADLO Cc1nccn1CC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715858031 712537525 /nfs/dbraw/zinc/53/75/25/712537525.db2.gz JXZQWOJBKHZPHF-SECBINFHSA-N 1 2 234.307 0.671 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cn(C)nn1 ZINC000715875880 712538744 /nfs/dbraw/zinc/53/87/44/712538744.db2.gz ITGXMBOIODJPDK-DTWKUNHWSA-N 1 2 237.307 0.134 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715903099 712541434 /nfs/dbraw/zinc/54/14/34/712541434.db2.gz QRKNWYBGZDUVNN-DTWKUNHWSA-N 1 2 239.323 0.379 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@H](C)c2cn(C)nn2)C1=O ZINC000715925765 712543303 /nfs/dbraw/zinc/54/33/03/712543303.db2.gz DBZRJHKPECJZMO-RKDXNWHRSA-N 1 2 237.307 0.087 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2cocn2)CN1CC1CC1 ZINC000716759805 712572547 /nfs/dbraw/zinc/57/25/47/712572547.db2.gz WLBSZWDXNBCSFX-JTQLQIEISA-N 1 2 235.287 0.775 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2c[nH]cn2)CN1CC1CC1 ZINC000716758822 712572597 /nfs/dbraw/zinc/57/25/97/712572597.db2.gz PRTFKKUGEQWWFE-JTQLQIEISA-N 1 2 234.303 0.510 20 0 BCADLO CCN(C(=O)Cc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000855054748 712614821 /nfs/dbraw/zinc/61/48/21/712614821.db2.gz UAYJCUUQIZPXJR-UHFFFAOYSA-N 1 2 233.275 0.739 20 0 BCADLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCCC1 ZINC000119729694 712620076 /nfs/dbraw/zinc/62/00/76/712620076.db2.gz HTMKOWALVZRPPL-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCCC1 ZINC000119729694 712620077 /nfs/dbraw/zinc/62/00/77/712620077.db2.gz HTMKOWALVZRPPL-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO C[C@@H](O)[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000717388005 712653214 /nfs/dbraw/zinc/65/32/14/712653214.db2.gz OKQKXEQWEGKAGJ-PELKAZGASA-N 1 2 235.287 0.394 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000380013870 712669927 /nfs/dbraw/zinc/66/99/27/712669927.db2.gz SOUUPOGIYNMREA-WCBMZHEXSA-N 1 2 215.293 0.689 20 0 BCADLO O=C1C[C@H](C[N@@H+]2CCC[C@H]2c2nnc[nH]2)CN1 ZINC000931143553 712713774 /nfs/dbraw/zinc/71/37/74/712713774.db2.gz XNSXSBCERXVUNP-IUCAKERBSA-N 1 2 235.291 0.078 20 0 BCADLO O=C1C[C@H](C[N@H+]2CCC[C@H]2c2nnc[nH]2)CN1 ZINC000931143553 712713775 /nfs/dbraw/zinc/71/37/75/712713775.db2.gz XNSXSBCERXVUNP-IUCAKERBSA-N 1 2 235.291 0.078 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000718481392 712765688 /nfs/dbraw/zinc/76/56/88/712765688.db2.gz QBJQAPNRXJZDST-XCBNKYQSSA-N 1 2 223.276 0.759 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nocc1C ZINC000720352966 712833287 /nfs/dbraw/zinc/83/32/87/712833287.db2.gz RMSXRPCANLNGGL-JTQLQIEISA-N 1 2 214.265 0.470 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720427652 712842021 /nfs/dbraw/zinc/84/20/21/712842021.db2.gz UCRHZAUQMBEBBZ-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000720427652 712842022 /nfs/dbraw/zinc/84/20/22/712842022.db2.gz UCRHZAUQMBEBBZ-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO COCc1nsc(N[C@H](C)C[NH+](C)C)n1 ZINC000336729041 398136001 /nfs/dbraw/zinc/13/60/01/398136001.db2.gz IQCXPCPZIPMPLY-SSDOTTSWSA-N 1 2 230.337 0.468 20 0 BCADLO CC(C)N1CC[C@@H]([NH+]2CCOCC2)C1=O ZINC000175028954 365524593 /nfs/dbraw/zinc/52/45/93/365524593.db2.gz SIHDQXMNLJHFAY-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH+]cn2C)n(C)n1 ZINC000558546257 398142362 /nfs/dbraw/zinc/14/23/62/398142362.db2.gz VCLMCFGNZKDLRL-UHFFFAOYSA-N 1 2 247.302 0.897 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1CCOC1)n1cc[nH+]c1 ZINC000649859548 398143617 /nfs/dbraw/zinc/14/36/17/398143617.db2.gz OUSXULHOVCAMGY-UWVGGRQHSA-N 1 2 223.276 0.739 20 0 BCADLO CCC(CC)(C[NH2+]CC(=O)OC)C(=O)OC ZINC000120845114 168325282 /nfs/dbraw/zinc/32/52/82/168325282.db2.gz WGMSQDPAAFUOPF-UHFFFAOYSA-N 1 2 231.292 0.728 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CO1 ZINC000335428305 398145610 /nfs/dbraw/zinc/14/56/10/398145610.db2.gz CBDCIRXQKWBDBI-RKDXNWHRSA-N 1 2 238.291 0.397 20 0 BCADLO COCCc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649867055 398148310 /nfs/dbraw/zinc/14/83/10/398148310.db2.gz DGCYMVZJVJFVCI-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649867055 398148312 /nfs/dbraw/zinc/14/83/12/398148312.db2.gz DGCYMVZJVJFVCI-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](C)CCO)n1C ZINC000649866169 398148774 /nfs/dbraw/zinc/14/87/74/398148774.db2.gz MMSDQOSTMIRDSR-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](C)CCO)n1C ZINC000649866169 398148776 /nfs/dbraw/zinc/14/87/76/398148776.db2.gz MMSDQOSTMIRDSR-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO CC[C@H](OC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339729154 398159141 /nfs/dbraw/zinc/15/91/41/398159141.db2.gz RSJNOBHMGBAUDI-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000299678886 398151358 /nfs/dbraw/zinc/15/13/58/398151358.db2.gz RCRFWXYPJACVRL-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000299678878 398151635 /nfs/dbraw/zinc/15/16/35/398151635.db2.gz RCRFWXYPJACVRL-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cc(CN2CCn3cc[nH+]c3C2)nn1C ZINC000336694178 178006364 /nfs/dbraw/zinc/00/63/64/178006364.db2.gz IWOQYZXMSBCWRD-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)on1 ZINC000163791413 178008431 /nfs/dbraw/zinc/00/84/31/178008431.db2.gz INPCTVCIVOCVOH-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)on1 ZINC000163791413 178008433 /nfs/dbraw/zinc/00/84/33/178008433.db2.gz INPCTVCIVOCVOH-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H](C)CCO ZINC000649871136 398153412 /nfs/dbraw/zinc/15/34/12/398153412.db2.gz SQPXKWFTPBTTCK-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H](C)CCO ZINC000649871136 398153413 /nfs/dbraw/zinc/15/34/13/398153413.db2.gz SQPXKWFTPBTTCK-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1csnn1 ZINC000649871348 398154139 /nfs/dbraw/zinc/15/41/39/398154139.db2.gz YMBAJAHDIIHBMU-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1csnn1 ZINC000649871348 398154141 /nfs/dbraw/zinc/15/41/41/398154141.db2.gz YMBAJAHDIIHBMU-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340655980 398154431 /nfs/dbraw/zinc/15/44/31/398154431.db2.gz BQLCVCWHMUTCSP-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340655980 398154434 /nfs/dbraw/zinc/15/44/34/398154434.db2.gz BQLCVCWHMUTCSP-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO COC[C@]1(C)C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000626176139 346816730 /nfs/dbraw/zinc/81/67/30/346816730.db2.gz GOZSRJJBTINKOA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@]1(C)C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000626176139 346816732 /nfs/dbraw/zinc/81/67/32/346816732.db2.gz GOZSRJJBTINKOA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn(C)c2)nn1C ZINC000309709955 178027501 /nfs/dbraw/zinc/02/75/01/178027501.db2.gz QGKWHRPWDUIFFE-UHFFFAOYSA-N 1 2 219.292 0.752 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)CCC1=O ZINC000390357639 398169829 /nfs/dbraw/zinc/16/98/29/398169829.db2.gz LBIFCNSUGXXVAD-JTQLQIEISA-N 1 2 219.288 0.930 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)CCC1=O ZINC000390357639 398169830 /nfs/dbraw/zinc/16/98/30/398169830.db2.gz LBIFCNSUGXXVAD-JTQLQIEISA-N 1 2 219.288 0.930 20 0 BCADLO C[C@H]1COCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408438184 398170030 /nfs/dbraw/zinc/17/00/30/398170030.db2.gz GHVXPECAHNQLGT-DTWKUNHWSA-N 1 2 236.271 0.820 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cocn2)[C@@H]1OC ZINC000277606057 398177572 /nfs/dbraw/zinc/17/75/72/398177572.db2.gz LNOLZEZQZAUIDA-MXWKQRLJSA-N 1 2 226.276 0.957 20 0 BCADLO C[C@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277852683 398179211 /nfs/dbraw/zinc/17/92/11/398179211.db2.gz QWCVHACZROCVGX-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO C[C@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277852683 398179213 /nfs/dbraw/zinc/17/92/13/398179213.db2.gz QWCVHACZROCVGX-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000290122766 398179887 /nfs/dbraw/zinc/17/98/87/398179887.db2.gz YVJYLRHDHBEPAM-UHFFFAOYSA-N 1 2 238.291 0.200 20 0 BCADLO Cc1cc(C[C@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000161858174 178056608 /nfs/dbraw/zinc/05/66/08/178056608.db2.gz JHNBQTIFRKWYRN-QMMMGPOBSA-N 1 2 224.308 0.327 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)nc1=O ZINC000649906762 398182051 /nfs/dbraw/zinc/18/20/51/398182051.db2.gz CAVACZRWPNUBBX-SECBINFHSA-N 1 2 244.245 0.340 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)nc1=O ZINC000649906762 398182054 /nfs/dbraw/zinc/18/20/54/398182054.db2.gz CAVACZRWPNUBBX-SECBINFHSA-N 1 2 244.245 0.340 20 0 BCADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCCO ZINC000649881973 398161699 /nfs/dbraw/zinc/16/16/99/398161699.db2.gz GXWJJFKJZPQICW-NSHDSACASA-N 1 2 225.292 0.176 20 0 BCADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCCO ZINC000649881973 398161704 /nfs/dbraw/zinc/16/17/04/398161704.db2.gz GXWJJFKJZPQICW-NSHDSACASA-N 1 2 225.292 0.176 20 0 BCADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCCCO ZINC000649883361 398162501 /nfs/dbraw/zinc/16/25/01/398162501.db2.gz QYIWZGMFHSAQIB-LBPRGKRZSA-N 1 2 239.319 0.566 20 0 BCADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCCCO ZINC000649883361 398162505 /nfs/dbraw/zinc/16/25/05/398162505.db2.gz QYIWZGMFHSAQIB-LBPRGKRZSA-N 1 2 239.319 0.566 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885118 398163093 /nfs/dbraw/zinc/16/30/93/398163093.db2.gz IQCHDFLWXOTTPB-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885118 398163097 /nfs/dbraw/zinc/16/30/97/398163097.db2.gz IQCHDFLWXOTTPB-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2COCC[NH2+]2)sc1C ZINC000083873241 398187259 /nfs/dbraw/zinc/18/72/59/398187259.db2.gz FSRFKSKSGVATSU-QMMMGPOBSA-N 1 2 241.316 0.687 20 0 BCADLO COC(=O)c1cnc(NCc2[nH+]ccn2C)nc1 ZINC000342052603 398187685 /nfs/dbraw/zinc/18/76/85/398187685.db2.gz FAXOUVOQRWIADF-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cn1c2ccccc2[nH+]c1NC1COCCOC1 ZINC000385802470 398189689 /nfs/dbraw/zinc/18/96/89/398189689.db2.gz JALSGPOFAGTIFG-UHFFFAOYSA-N 1 2 247.298 0.823 20 0 BCADLO Cc1cc(N(C)C[C@@H](O)CO)nc(C(C)C)[nH+]1 ZINC000354836906 178098203 /nfs/dbraw/zinc/09/82/03/178098203.db2.gz BGYCHXOEXLGDHL-SNVBAGLBSA-N 1 2 239.319 0.698 20 0 BCADLO Cc1nccc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000338051920 187326198 /nfs/dbraw/zinc/32/61/98/187326198.db2.gz BCDDVHQXVHGFAU-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO Cc1cc(N(C)[C@H](C)C[S@](C)=O)nc[nH+]1 ZINC000302381385 178099872 /nfs/dbraw/zinc/09/98/72/178099872.db2.gz HZVQJPGSMCQLGV-PSLIRLAXSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1cc(N(C)[C@@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000301273147 178101204 /nfs/dbraw/zinc/10/12/04/178101204.db2.gz OBYNHKPIRWPMBH-VIFPVBQESA-N 1 2 243.332 0.654 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccccn1 ZINC000564637666 398200380 /nfs/dbraw/zinc/20/03/80/398200380.db2.gz DNUPRXAQZFVXTM-UHFFFAOYSA-N 1 2 230.271 0.637 20 0 BCADLO Cc1cc(N)nc(S[C@@H]2CCN(C)C2=O)[nH+]1 ZINC000096630345 178109980 /nfs/dbraw/zinc/10/99/80/178109980.db2.gz RCUUNWSWOSBNPY-SSDOTTSWSA-N 1 2 238.316 0.690 20 0 BCADLO Cc1cc(NC(=O)NCCOCCO)cc[nH+]1 ZINC000119897839 178138582 /nfs/dbraw/zinc/13/85/82/178138582.db2.gz HFQIGTJFNMQGOL-UHFFFAOYSA-N 1 2 239.275 0.520 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1cscn1 ZINC000163002542 538925967 /nfs/dbraw/zinc/92/59/67/538925967.db2.gz WGIPVBMNPOCVEM-SSDOTTSWSA-N 1 2 213.306 0.882 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(O)C1 ZINC000576289920 365553381 /nfs/dbraw/zinc/55/33/81/365553381.db2.gz TUNPUEUPPMZCOF-MRVPVSSYSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(O)C1 ZINC000576289920 365553387 /nfs/dbraw/zinc/55/33/87/365553387.db2.gz TUNPUEUPPMZCOF-MRVPVSSYSA-N 1 2 223.276 0.182 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000296710927 178141732 /nfs/dbraw/zinc/14/17/32/178141732.db2.gz AFHDZWHOHUDPQI-NXEZZACHSA-N 1 2 237.259 0.271 20 0 BCADLO C[C@@H]1CSC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561219638 322997518 /nfs/dbraw/zinc/99/75/18/322997518.db2.gz JEVKIORZIDHDCM-PSASIEDQSA-N 1 2 239.344 0.830 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)sn1 ZINC000085551966 178145675 /nfs/dbraw/zinc/14/56/75/178145675.db2.gz LYRGMMYDZGBRPP-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)sn1 ZINC000085551966 178145678 /nfs/dbraw/zinc/14/56/78/178145678.db2.gz LYRGMMYDZGBRPP-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO O[C@H](Cn1cccn1)C[NH+]1CC(OC(F)F)C1 ZINC000414127536 398217526 /nfs/dbraw/zinc/21/75/26/398217526.db2.gz QEVGSCPDWLXSDW-QMMMGPOBSA-N 1 2 247.245 0.167 20 0 BCADLO Cc1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)ccn1 ZINC000284901114 178148457 /nfs/dbraw/zinc/14/84/57/178148457.db2.gz OMOGVWIIVJVSDR-KOLCDFICSA-N 1 2 235.287 0.705 20 0 BCADLO Cc1cc(NC(=O)c2cn(C)nn2)cc[nH+]1 ZINC000041527394 178151927 /nfs/dbraw/zinc/15/19/27/178151927.db2.gz XLAZDUSLPUDWEI-UHFFFAOYSA-N 1 2 217.232 0.771 20 0 BCADLO C[N@H+](CC(N)=O)Cc1scnc1C1CC1 ZINC000495058416 538927501 /nfs/dbraw/zinc/92/75/01/538927501.db2.gz JHGIDPGHENAMPN-UHFFFAOYSA-N 1 2 225.317 0.938 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1scnc1C1CC1 ZINC000495058416 538927502 /nfs/dbraw/zinc/92/75/02/538927502.db2.gz JHGIDPGHENAMPN-UHFFFAOYSA-N 1 2 225.317 0.938 20 0 BCADLO Cc1cc(NCC(=O)NCC(F)(F)F)nc[nH+]1 ZINC000110313281 178154400 /nfs/dbraw/zinc/15/44/00/178154400.db2.gz LVKYYGHCWNQZIP-UHFFFAOYSA-N 1 2 248.208 0.875 20 0 BCADLO c1cn(Cc2nnnn2Cc2ccccc2)c[nH+]1 ZINC000576370776 365579608 /nfs/dbraw/zinc/57/96/08/365579608.db2.gz WISAOZQSEGSJBC-UHFFFAOYSA-N 1 2 240.270 0.966 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)N(C)C ZINC000336767372 136221388 /nfs/dbraw/zinc/22/13/88/136221388.db2.gz SZHWPVDLKAVIBQ-HTQZYQBOSA-N 1 2 211.265 0.802 20 0 BCADLO Cc1cc(NCCNC(=O)c2ccn[nH]2)nc[nH+]1 ZINC000302056171 178160887 /nfs/dbraw/zinc/16/08/87/178160887.db2.gz ZMGHRCDYVCANPI-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)ncn1 ZINC000301281559 178165155 /nfs/dbraw/zinc/16/51/55/178165155.db2.gz XWGOGODRVOKVII-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nnc(CCNc2cc(C)[nH+]cn2)n1C ZINC000302657321 178162757 /nfs/dbraw/zinc/16/27/57/178162757.db2.gz AIXAQEGKDVMTOI-UHFFFAOYSA-N 1 2 232.291 0.877 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ncn(C)n1 ZINC000336758026 398212781 /nfs/dbraw/zinc/21/27/81/398212781.db2.gz KHAHHUDOGNCTNB-RKDXNWHRSA-N 1 2 210.281 0.645 20 0 BCADLO Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040727380 178167736 /nfs/dbraw/zinc/16/77/36/178167736.db2.gz HZXYBSPVGRYYFT-VIFPVBQESA-N 1 2 241.316 0.632 20 0 BCADLO Cc1cc(NC[C@]2(O)CCOC2)nc[nH+]1 ZINC000229625836 178170312 /nfs/dbraw/zinc/17/03/12/178170312.db2.gz FVXKFBHNASMRQN-SNVBAGLBSA-N 1 2 209.249 0.348 20 0 BCADLO Cc1cc(NCc2c[nH+]cn2C)n(CCO)n1 ZINC000340040754 178174888 /nfs/dbraw/zinc/17/48/88/178174888.db2.gz PCXQTAULHQNDHP-UHFFFAOYSA-N 1 2 235.291 0.529 20 0 BCADLO Cc1cc(NCc2[nH+]cc(C)n2C)n(CCO)n1 ZINC000341046769 178176542 /nfs/dbraw/zinc/17/65/42/178176542.db2.gz NWRPFZQJBLQVQW-UHFFFAOYSA-N 1 2 249.318 0.838 20 0 BCADLO Cc1cc(NCc2nc[nH]n2)nc(C)[nH+]1 ZINC000037920056 178176786 /nfs/dbraw/zinc/17/67/86/178176786.db2.gz UOJMQZJCPZLWQK-UHFFFAOYSA-N 1 2 204.237 0.824 20 0 BCADLO Cc1cc(NCc2nnc[nH]2)nc(C)[nH+]1 ZINC000037920056 178176788 /nfs/dbraw/zinc/17/67/88/178176788.db2.gz UOJMQZJCPZLWQK-UHFFFAOYSA-N 1 2 204.237 0.824 20 0 BCADLO C[C@H](C(=O)Nc1cn[nH]c1)[NH+]1CC(C)C1 ZINC000576409534 365589233 /nfs/dbraw/zinc/58/92/33/365589233.db2.gz XAODIEOZLDLBKW-MRVPVSSYSA-N 1 2 208.265 0.688 20 0 BCADLO Cc1cc(N[C@@H](C)Cn2cncn2)nc[nH+]1 ZINC000301223445 178179003 /nfs/dbraw/zinc/17/90/03/178179003.db2.gz DEGVFNMPKUBUSG-VIFPVBQESA-N 1 2 218.264 0.877 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)O ZINC000516783645 259302038 /nfs/dbraw/zinc/30/20/38/259302038.db2.gz DLGLUEYFEXRBQO-YWVKMMECSA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)O ZINC000516783645 259302039 /nfs/dbraw/zinc/30/20/39/259302039.db2.gz DLGLUEYFEXRBQO-YWVKMMECSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H]1C[N@H+](CCCc2cnn(C)c2)CC(=O)N1 ZINC000650050834 398227486 /nfs/dbraw/zinc/22/74/86/398227486.db2.gz GNJGPCLDENHHNA-JTQLQIEISA-N 1 2 236.319 0.173 20 0 BCADLO C[C@H]1C[N@@H+](CCCc2cnn(C)c2)CC(=O)N1 ZINC000650050834 398227490 /nfs/dbraw/zinc/22/74/90/398227490.db2.gz GNJGPCLDENHHNA-JTQLQIEISA-N 1 2 236.319 0.173 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000521039791 259303134 /nfs/dbraw/zinc/30/31/34/259303134.db2.gz PSGBWBGBAJQBDA-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000521039791 259303135 /nfs/dbraw/zinc/30/31/35/259303135.db2.gz PSGBWBGBAJQBDA-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864396 398229256 /nfs/dbraw/zinc/22/92/56/398229256.db2.gz SLWRTZBFOIQUBB-RQJHMYQMSA-N 1 2 247.249 0.585 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864396 398229258 /nfs/dbraw/zinc/22/92/58/398229258.db2.gz SLWRTZBFOIQUBB-RQJHMYQMSA-N 1 2 247.249 0.585 20 0 BCADLO COCCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819094 361769539 /nfs/dbraw/zinc/76/95/39/361769539.db2.gz XQLUZDMYEYKQNO-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000421405741 192330365 /nfs/dbraw/zinc/33/03/65/192330365.db2.gz GNHIPUSHYVTBGA-LLVKDONJSA-N 1 2 227.308 0.282 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C[C@@H](O)CO)C(C)C ZINC000421405741 192330367 /nfs/dbraw/zinc/33/03/67/192330367.db2.gz GNHIPUSHYVTBGA-LLVKDONJSA-N 1 2 227.308 0.282 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276513204 538933203 /nfs/dbraw/zinc/93/32/03/538933203.db2.gz BNCKYJKZEMDIDR-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276513204 538933205 /nfs/dbraw/zinc/93/32/05/538933205.db2.gz BNCKYJKZEMDIDR-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](COC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276586445 538933212 /nfs/dbraw/zinc/93/32/12/538933212.db2.gz MJULRYRYJRNKRE-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@@H](COC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276586445 538933214 /nfs/dbraw/zinc/93/32/14/538933214.db2.gz MJULRYRYJRNKRE-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000276522439 538933286 /nfs/dbraw/zinc/93/32/86/538933286.db2.gz CGQSLWYAONRXCI-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000276522439 538933287 /nfs/dbraw/zinc/93/32/87/538933287.db2.gz CGQSLWYAONRXCI-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO Cc1cc([C@@H](C)NC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000282876921 178226262 /nfs/dbraw/zinc/22/62/62/178226262.db2.gz VNKMXVFWWGJOLG-GHMZBOCLSA-N 1 2 239.319 0.964 20 0 BCADLO Cc1cc([C@@H](C)NC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000282876921 178226264 /nfs/dbraw/zinc/22/62/64/178226264.db2.gz VNKMXVFWWGJOLG-GHMZBOCLSA-N 1 2 239.319 0.964 20 0 BCADLO CCNS(=O)(=O)NCCc1cccc(C)[nH+]1 ZINC000280613402 538937594 /nfs/dbraw/zinc/93/75/94/538937594.db2.gz YJOUNEXSYGPQOR-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1ccccn1 ZINC000076417314 398239587 /nfs/dbraw/zinc/23/95/87/398239587.db2.gz XKVWVBXMOXXJHW-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccn1 ZINC000076417314 398239591 /nfs/dbraw/zinc/23/95/91/398239591.db2.gz XKVWVBXMOXXJHW-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285494515 538941528 /nfs/dbraw/zinc/94/15/28/538941528.db2.gz CHIRCOFQOAQGPT-QMMMGPOBSA-N 1 2 210.281 0.587 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ncc[nH]1 ZINC000286061307 538942933 /nfs/dbraw/zinc/94/29/33/538942933.db2.gz KPPSVIVWJKULMO-QMMMGPOBSA-N 1 2 222.292 0.587 20 0 BCADLO C[N@H+](Cc1nccs1)[C@@H]1COC[C@H]1O ZINC000285854570 398248229 /nfs/dbraw/zinc/24/82/29/398248229.db2.gz IFDLGVZAZWLMGO-HTQZYQBOSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@@H]1COC[C@H]1O ZINC000285854570 398248231 /nfs/dbraw/zinc/24/82/31/398248231.db2.gz IFDLGVZAZWLMGO-HTQZYQBOSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000576595890 365634664 /nfs/dbraw/zinc/63/46/64/365634664.db2.gz QQIYZMVGKAXCAD-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000576595890 365634666 /nfs/dbraw/zinc/63/46/66/365634666.db2.gz QQIYZMVGKAXCAD-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000286034019 538943237 /nfs/dbraw/zinc/94/32/37/538943237.db2.gz PIIINZMEVAYNNT-UHFFFAOYSA-N 1 2 249.278 0.165 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000286034019 538943238 /nfs/dbraw/zinc/94/32/38/538943238.db2.gz PIIINZMEVAYNNT-UHFFFAOYSA-N 1 2 249.278 0.165 20 0 BCADLO COC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000580902936 398250882 /nfs/dbraw/zinc/25/08/82/398250882.db2.gz OYSCBIFQQCOTCS-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO Cc1cc[nH]c1C(=O)NCC[NH+]1CCOCC1 ZINC000281700181 178314022 /nfs/dbraw/zinc/31/40/22/178314022.db2.gz HBENZDGWZRWHAQ-UHFFFAOYSA-N 1 2 237.303 0.385 20 0 BCADLO CCOCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000291314266 538947551 /nfs/dbraw/zinc/94/75/51/538947551.db2.gz UEQBDVVUNIBMEA-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1c[nH+]cn1C ZINC000291335069 538947568 /nfs/dbraw/zinc/94/75/68/538947568.db2.gz VZWGRNOZKVTBCS-NSHDSACASA-N 1 2 225.292 0.851 20 0 BCADLO C[C@H](C(=O)NCc1c[nH+]cn1C)n1cccn1 ZINC000291105434 538947591 /nfs/dbraw/zinc/94/75/91/538947591.db2.gz BYQMORTYEHYKQR-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO CO[C@@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000291229234 538947623 /nfs/dbraw/zinc/94/76/23/538947623.db2.gz NMJROFXDEVVICN-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CCC1CC1 ZINC000290199364 538946119 /nfs/dbraw/zinc/94/61/19/538946119.db2.gz MROUYXNFKHHKEC-UHFFFAOYSA-N 1 2 243.332 0.640 20 0 BCADLO COc1ccnc(NCc2c[nH+]cn2C)n1 ZINC000291244008 538947649 /nfs/dbraw/zinc/94/76/49/538947649.db2.gz XRTQJNPYYCDFTE-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO Cn1cc2c(n1)ncnc2NCc1c[nH+]cn1C ZINC000290608149 538946624 /nfs/dbraw/zinc/94/66/24/538946624.db2.gz SHBLWVXUBKICIU-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC1CC1 ZINC000290729121 538946738 /nfs/dbraw/zinc/94/67/38/538946738.db2.gz VXLDGSKOUFPQHC-UHFFFAOYSA-N 1 2 208.265 0.629 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1c[nH+]cn1C ZINC000291096357 538946844 /nfs/dbraw/zinc/94/68/44/538946844.db2.gz AYFBDYJTIGNBDH-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO COC[C@]1(C)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000381480515 398259196 /nfs/dbraw/zinc/25/91/96/398259196.db2.gz NQIBSLFHKGPQOX-LLVKDONJSA-N 1 2 237.307 0.455 20 0 BCADLO COC[C@]1(C)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000381480515 398259200 /nfs/dbraw/zinc/25/92/00/398259200.db2.gz NQIBSLFHKGPQOX-LLVKDONJSA-N 1 2 237.307 0.455 20 0 BCADLO CC[C@@]1(C)NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000291267943 538947337 /nfs/dbraw/zinc/94/73/37/538947337.db2.gz ZOKDGFAZFDZIQW-LLVKDONJSA-N 1 2 236.275 0.641 20 0 BCADLO C[C@H](CC(=O)N1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000576759583 365679530 /nfs/dbraw/zinc/67/95/30/365679530.db2.gz HSPSCHPNPGRSGX-NXEZZACHSA-N 1 2 223.276 0.427 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2ccnn2C)CCO1 ZINC000626176413 346820231 /nfs/dbraw/zinc/82/02/31/346820231.db2.gz NENGVQDQCRXVPQ-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2ccnn2C)CCO1 ZINC000626176413 346820235 /nfs/dbraw/zinc/82/02/35/346820235.db2.gz NENGVQDQCRXVPQ-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626176425 346821452 /nfs/dbraw/zinc/82/14/52/346821452.db2.gz NLJUOVJFLHWFPV-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626176425 346821456 /nfs/dbraw/zinc/82/14/56/346821456.db2.gz NLJUOVJFLHWFPV-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCCN(CC(N)=O)C(=O)CCc1[nH]cc[nH+]1 ZINC000346941371 136234007 /nfs/dbraw/zinc/23/40/07/136234007.db2.gz LOPBIZSKSKMTMS-UHFFFAOYSA-N 1 2 238.291 0.066 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)C(=O)NCCF)o1 ZINC000639155480 398268254 /nfs/dbraw/zinc/26/82/54/398268254.db2.gz QGSRCKUZMGPZER-MRVPVSSYSA-N 1 2 229.255 0.547 20 0 BCADLO COC[C@@]1(C)C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000626177790 346840585 /nfs/dbraw/zinc/84/05/85/346840585.db2.gz WGNPRCSDNQAMPG-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000626177790 346840586 /nfs/dbraw/zinc/84/05/86/346840586.db2.gz WGNPRCSDNQAMPG-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@@]1(C)C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000626177790 346840589 /nfs/dbraw/zinc/84/05/89/346840589.db2.gz WGNPRCSDNQAMPG-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000626177790 346840590 /nfs/dbraw/zinc/84/05/90/346840590.db2.gz WGNPRCSDNQAMPG-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000179989376 538956996 /nfs/dbraw/zinc/95/69/96/538956996.db2.gz ZOMMIRMFTOHAQH-QMMMGPOBSA-N 1 2 236.319 0.895 20 0 BCADLO CC(C)OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000576816032 365686873 /nfs/dbraw/zinc/68/68/73/365686873.db2.gz HDYWZTUZRCPXCG-SNVBAGLBSA-N 1 2 213.281 0.285 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000600199342 342698799 /nfs/dbraw/zinc/69/87/99/342698799.db2.gz WKGSZAIMGVAMJX-BDAKNGLRSA-N 1 2 231.267 0.751 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000600199342 342698800 /nfs/dbraw/zinc/69/88/00/342698800.db2.gz WKGSZAIMGVAMJX-BDAKNGLRSA-N 1 2 231.267 0.751 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000162232206 349614153 /nfs/dbraw/zinc/61/41/53/349614153.db2.gz KTSFTZHVPDBPIW-QMMMGPOBSA-N 1 2 246.332 0.896 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000309588625 342716314 /nfs/dbraw/zinc/71/63/14/342716314.db2.gz TVVCIOAXOXSQPX-XHNCKOQMSA-N 1 2 229.276 0.479 20 0 BCADLO C[C@H]1C[N@H+](CC2=CCCOC2)CC[S@]1=O ZINC000335108846 398277677 /nfs/dbraw/zinc/27/76/77/398277677.db2.gz DQLJDTQFVLONNG-ZUZCIYMTSA-N 1 2 229.345 0.786 20 0 BCADLO C[C@H]1C[N@@H+](CC2=CCCOC2)CC[S@]1=O ZINC000335108846 398277680 /nfs/dbraw/zinc/27/76/80/398277680.db2.gz DQLJDTQFVLONNG-ZUZCIYMTSA-N 1 2 229.345 0.786 20 0 BCADLO CC(=O)N1CC[NH+](CCc2cncc(C)n2)CC1 ZINC000649481857 398279550 /nfs/dbraw/zinc/27/95/50/398279550.db2.gz UQJGSPMNLRLRON-UHFFFAOYSA-N 1 2 248.330 0.492 20 0 BCADLO Cc1cc(CNC(=O)C[C@@H]2CC(=O)N2)cc(C)[nH+]1 ZINC000616362852 342721253 /nfs/dbraw/zinc/72/12/53/342721253.db2.gz ASNCOQRYGJFAFJ-LLVKDONJSA-N 1 2 247.298 0.593 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)C1CC1 ZINC000070909877 361876617 /nfs/dbraw/zinc/87/66/17/361876617.db2.gz MNWVWZHZNWDPBT-UHFFFAOYSA-N 1 2 215.278 0.334 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H](C(N)=O)C2)[nH+]1 ZINC000624540967 344003072 /nfs/dbraw/zinc/00/30/72/344003072.db2.gz FVDNEWGQCGTLME-ZKCHVHJHSA-N 1 2 245.286 0.942 20 0 BCADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000007490343 342791823 /nfs/dbraw/zinc/79/18/23/342791823.db2.gz DARNKUJEJDVJGW-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000007490343 342791825 /nfs/dbraw/zinc/79/18/25/342791825.db2.gz DARNKUJEJDVJGW-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000348809531 136239015 /nfs/dbraw/zinc/23/90/15/136239015.db2.gz PNPNXZRMJZAMNN-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000348809531 136239016 /nfs/dbraw/zinc/23/90/16/136239016.db2.gz PNPNXZRMJZAMNN-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653909 342810738 /nfs/dbraw/zinc/81/07/38/342810738.db2.gz QTSDLBXDVXQLFG-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653909 342810741 /nfs/dbraw/zinc/81/07/41/342810741.db2.gz QTSDLBXDVXQLFG-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000624726340 342822598 /nfs/dbraw/zinc/82/25/98/342822598.db2.gz NBFMPZFDJNUGCZ-ZKCHVHJHSA-N 1 2 236.275 0.870 20 0 BCADLO CO[C@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000624726340 342822599 /nfs/dbraw/zinc/82/25/99/342822599.db2.gz NBFMPZFDJNUGCZ-ZKCHVHJHSA-N 1 2 236.275 0.870 20 0 BCADLO CCc1ncc(C[N@H+](C)CC(=O)NC)s1 ZINC000067486666 342827811 /nfs/dbraw/zinc/82/78/11/342827811.db2.gz NVZGPNMAUQYXJD-UHFFFAOYSA-N 1 2 227.333 0.883 20 0 BCADLO CCc1ncc(C[N@@H+](C)CC(=O)NC)s1 ZINC000067486666 342827813 /nfs/dbraw/zinc/82/78/13/342827813.db2.gz NVZGPNMAUQYXJD-UHFFFAOYSA-N 1 2 227.333 0.883 20 0 BCADLO O=C1CCC[C@H](C[NH2+]Cc2csnn2)N1 ZINC000380315474 538989258 /nfs/dbraw/zinc/98/92/58/538989258.db2.gz IRYJAABYMLFTQE-SSDOTTSWSA-N 1 2 226.305 0.296 20 0 BCADLO COC(=O)[C@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000342776160 536604566 /nfs/dbraw/zinc/60/45/66/536604566.db2.gz GHPMKTXAGDIEFG-SECBINFHSA-N 1 2 239.319 0.969 20 0 BCADLO CO[C@H](C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000348842978 136242128 /nfs/dbraw/zinc/24/21/28/136242128.db2.gz XGXKGZDCMMWPLO-JTQLQIEISA-N 1 2 225.292 0.670 20 0 BCADLO CCc1cnc(C[NH2+][C@@](C)(CC)C(N)=O)o1 ZINC000390444447 539022214 /nfs/dbraw/zinc/02/22/14/539022214.db2.gz WYEPYERDQJWUHG-NSHDSACASA-N 1 2 225.292 0.981 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000389590124 539016749 /nfs/dbraw/zinc/01/67/49/539016749.db2.gz ABFLSQBLZFJXOY-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000389590124 539016750 /nfs/dbraw/zinc/01/67/50/539016750.db2.gz ABFLSQBLZFJXOY-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCn1nccc1-c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640753984 361992225 /nfs/dbraw/zinc/99/22/25/361992225.db2.gz GQKRAXTYSQJBPG-UHFFFAOYSA-N 1 2 243.274 0.933 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000650573224 398301790 /nfs/dbraw/zinc/30/17/90/398301790.db2.gz MRDHWKHOCZNBCD-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625086774 342849267 /nfs/dbraw/zinc/84/92/67/342849267.db2.gz RBKLKYYGVDWESI-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625086774 342849268 /nfs/dbraw/zinc/84/92/68/342849268.db2.gz RBKLKYYGVDWESI-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1occc1C ZINC000093103279 398308481 /nfs/dbraw/zinc/30/84/81/398308481.db2.gz FQNUOACJQRRFAZ-ZJUUUORDSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1occc1C ZINC000093103279 398308482 /nfs/dbraw/zinc/30/84/82/398308482.db2.gz FQNUOACJQRRFAZ-ZJUUUORDSA-N 1 2 239.271 0.696 20 0 BCADLO CCc1cc(NCCNC(N)=O)nc[nH+]1 ZINC000078264797 398309089 /nfs/dbraw/zinc/30/90/89/398309089.db2.gz MAAJYFUJHOBCAA-UHFFFAOYSA-N 1 2 209.253 0.119 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COCC(F)F ZINC000628035208 342886676 /nfs/dbraw/zinc/88/66/76/342886676.db2.gz AYYWBXIUIQHOKN-UHFFFAOYSA-N 1 2 233.218 0.650 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COCC(F)F ZINC000628035208 342886679 /nfs/dbraw/zinc/88/66/79/342886679.db2.gz AYYWBXIUIQHOKN-UHFFFAOYSA-N 1 2 233.218 0.650 20 0 BCADLO O=C([O-])[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000035297410 342887191 /nfs/dbraw/zinc/88/71/91/342887191.db2.gz FZSLRJMOKCXRMA-JTQLQIEISA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000035297410 342887193 /nfs/dbraw/zinc/88/71/93/342887193.db2.gz FZSLRJMOKCXRMA-JTQLQIEISA-N 1 2 223.276 0.822 20 0 BCADLO CN(CCCn1cc[nH+]c1)Cc1ncnn1C ZINC000162306224 349633911 /nfs/dbraw/zinc/63/39/11/349633911.db2.gz KJJIPVGVBJAUEV-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO C[C@@H]1CCN(S(=O)(=O)NCc2[nH]cc[nH+]2)C1 ZINC000632143297 342893523 /nfs/dbraw/zinc/89/35/23/342893523.db2.gz SAABRBVHHKUUKL-MRVPVSSYSA-N 1 2 244.320 0.086 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCOC1 ZINC000103956795 398323253 /nfs/dbraw/zinc/32/32/53/398323253.db2.gz ZXOGKZFKLZIMJT-MRVPVSSYSA-N 1 2 233.275 0.954 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660852 398323291 /nfs/dbraw/zinc/32/32/91/398323291.db2.gz PQZWOIGKBWJZBO-UWVGGRQHSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660852 398323294 /nfs/dbraw/zinc/32/32/94/398323294.db2.gz PQZWOIGKBWJZBO-UWVGGRQHSA-N 1 2 239.323 0.599 20 0 BCADLO O[C@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000077210501 342902469 /nfs/dbraw/zinc/90/24/69/342902469.db2.gz JPENEEUCEDPBKK-JTQLQIEISA-N 1 2 245.286 0.623 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496976733 529412225 /nfs/dbraw/zinc/41/22/25/529412225.db2.gz ANNIQVSHAVIUGB-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496976733 529412227 /nfs/dbraw/zinc/41/22/27/529412227.db2.gz ANNIQVSHAVIUGB-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO COC1CC(C(=O)NCc2[nH+]ccn2C)C1 ZINC000625239017 342927207 /nfs/dbraw/zinc/92/72/07/342927207.db2.gz MLFCACHVPAUAFO-UHFFFAOYSA-N 1 2 223.276 0.461 20 0 BCADLO CCO[C@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000625238998 342927402 /nfs/dbraw/zinc/92/74/02/342927402.db2.gz LPYLWPXRGQNOKG-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO C(=C\C[NH+]1CCOCC1)\CN1CCOCC1 ZINC000016973258 342918389 /nfs/dbraw/zinc/91/83/89/342918389.db2.gz IHTDQZRNRVUDBN-UPHRSURJSA-N 1 2 226.320 0.207 20 0 BCADLO CCn1ncnc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000234235610 342919162 /nfs/dbraw/zinc/91/91/62/342919162.db2.gz GXZXOGDZKIJCIJ-ZCFIWIBFSA-N 1 2 238.213 0.311 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000047953376 342930512 /nfs/dbraw/zinc/93/05/12/342930512.db2.gz FSBIMHYAFMZIMR-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000047953376 342930513 /nfs/dbraw/zinc/93/05/13/342930513.db2.gz FSBIMHYAFMZIMR-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000602633307 349649921 /nfs/dbraw/zinc/64/99/21/349649921.db2.gz GZECPEOPHGJYKB-IVZWLZJFSA-N 1 2 231.292 0.189 20 0 BCADLO C[NH+](C)CCn1[nH]c2c(c1=O)CSCC2 ZINC000634590210 342936633 /nfs/dbraw/zinc/93/66/33/342936633.db2.gz SOWHNDDGLXHHNM-MRVPVSSYSA-N 1 2 227.333 0.499 20 0 BCADLO C[NH+](C)CCN1N=C2c3cnccc3C[C@H]2C1=O ZINC000634590318 342936670 /nfs/dbraw/zinc/93/66/70/342936670.db2.gz VZVIZFAJGSJSFE-SNVBAGLBSA-N 1 2 244.298 0.362 20 0 BCADLO C[NH+](C)CCN1N=C2c3cnccc3C[C@@H]2C1=O ZINC000634590317 342936737 /nfs/dbraw/zinc/93/67/37/342936737.db2.gz VZVIZFAJGSJSFE-JTQLQIEISA-N 1 2 244.298 0.362 20 0 BCADLO Cn1ccnc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561225968 398338581 /nfs/dbraw/zinc/33/85/81/398338581.db2.gz RRWRCZFNXNAQJI-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO Cc1nc(N(C)C[C@@H](O)CO)c(C)c(C)[nH+]1 ZINC000354850771 398330694 /nfs/dbraw/zinc/33/06/94/398330694.db2.gz UBHYCYYIDWUXJU-SNVBAGLBSA-N 1 2 225.292 0.191 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000355199072 398331904 /nfs/dbraw/zinc/33/19/04/398331904.db2.gz OEBDVHMMZKQLFW-SECBINFHSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000355199072 398331905 /nfs/dbraw/zinc/33/19/05/398331905.db2.gz OEBDVHMMZKQLFW-SECBINFHSA-N 1 2 208.265 0.038 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H]1CCOC1 ZINC000234787452 342942267 /nfs/dbraw/zinc/94/22/67/342942267.db2.gz QOTNYCHWMYBQCF-QMMMGPOBSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H]1CCOC1 ZINC000234787452 342942268 /nfs/dbraw/zinc/94/22/68/342942268.db2.gz QOTNYCHWMYBQCF-QMMMGPOBSA-N 1 2 238.291 0.906 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000169798149 398342523 /nfs/dbraw/zinc/34/25/23/398342523.db2.gz LSTWVQSCICRVOX-SECBINFHSA-N 1 2 205.261 0.724 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCC(=O)N(C)C ZINC000037751906 342951389 /nfs/dbraw/zinc/95/13/89/342951389.db2.gz KHFXVZVLIFALSL-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)[C@H]1CCNC1=O ZINC000351759266 136252627 /nfs/dbraw/zinc/25/26/27/136252627.db2.gz RPRAEFKGKNBDOX-VHSXEESVSA-N 1 2 242.319 0.394 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC000351759266 136252628 /nfs/dbraw/zinc/25/26/28/136252628.db2.gz RPRAEFKGKNBDOX-VHSXEESVSA-N 1 2 242.319 0.394 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H]1CN(C)C(=O)O1)C(=O)OC ZINC000496728650 529506014 /nfs/dbraw/zinc/50/60/14/529506014.db2.gz VZLDSQVGFBPCJR-GZMMTYOYSA-N 1 2 244.291 0.368 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000351781959 136254069 /nfs/dbraw/zinc/25/40/69/136254069.db2.gz WKUDTSPUFVZSJE-ZETCQYMHSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)s1 ZINC000351781959 136254070 /nfs/dbraw/zinc/25/40/70/136254070.db2.gz WKUDTSPUFVZSJE-ZETCQYMHSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000351782327 136254141 /nfs/dbraw/zinc/25/41/41/136254141.db2.gz PYDXMTBIWYEISX-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000351782327 136254142 /nfs/dbraw/zinc/25/41/42/136254142.db2.gz PYDXMTBIWYEISX-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(CO)CC1 ZINC000493502705 529552979 /nfs/dbraw/zinc/55/29/79/529552979.db2.gz YPBVXUMFNOTEOE-ONEGZZNKSA-N 1 2 235.287 0.557 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000353501218 187209694 /nfs/dbraw/zinc/20/96/94/187209694.db2.gz LOMVKDPHDIOLEW-UHFFFAOYSA-N 1 2 246.270 0.290 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000354199359 187210384 /nfs/dbraw/zinc/21/03/84/187210384.db2.gz OGAXUWAXQGIBDA-ZBJFTSOASA-N 1 2 223.276 0.775 20 0 BCADLO CCn1cc[nH+]c1C=CC(=O)Nc1n[nH]c(C)n1 ZINC000493411033 529556299 /nfs/dbraw/zinc/55/62/99/529556299.db2.gz AZTQBWPTKJLBDL-SNAWJCMRSA-N 1 2 246.274 0.981 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@@H](C)CO ZINC000492828406 529557259 /nfs/dbraw/zinc/55/72/59/529557259.db2.gz ZAGCTJHVAVZMMA-OMMCCPJFSA-N 1 2 237.303 0.755 20 0 BCADLO CC[C@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000113164412 346909847 /nfs/dbraw/zinc/90/98/47/346909847.db2.gz BSWZUDBPDDGJSY-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC1(CCO)CC1 ZINC000492941222 529558715 /nfs/dbraw/zinc/55/87/15/529558715.db2.gz OQYVQAHDBNHWSR-ARJAWSKDSA-N 1 2 249.314 0.947 20 0 BCADLO CSCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000608790629 342976292 /nfs/dbraw/zinc/97/62/92/342976292.db2.gz BGVGWQPNPJVMNA-SECBINFHSA-N 1 2 242.348 0.934 20 0 BCADLO COC(=O)c1cc(C[NH2+]Cc2cnn[nH]2)[nH]c1C ZINC000602715561 349706579 /nfs/dbraw/zinc/70/65/79/349706579.db2.gz PODPKYRQKQONKK-UHFFFAOYSA-N 1 2 249.274 0.518 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@@H](C)OC ZINC000304677361 259336458 /nfs/dbraw/zinc/33/64/58/259336458.db2.gz YDKDZNCYLNYICP-SSDOTTSWSA-N 1 2 226.280 0.539 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@@H](C)OC ZINC000304677361 259336459 /nfs/dbraw/zinc/33/64/59/259336459.db2.gz YDKDZNCYLNYICP-SSDOTTSWSA-N 1 2 226.280 0.539 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCCO ZINC000493391868 529549931 /nfs/dbraw/zinc/54/99/31/529549931.db2.gz AMWWXZUAOOZTJE-AATRIKPKSA-N 1 2 237.303 0.757 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2ncnn2CC)cn1 ZINC000355602639 187212218 /nfs/dbraw/zinc/21/22/18/187212218.db2.gz VSUKZLGTBXWJLG-UHFFFAOYSA-N 1 2 232.291 0.885 20 0 BCADLO CCOC(=O)C[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000602770672 349724716 /nfs/dbraw/zinc/72/47/16/349724716.db2.gz XKOORUWEIWTMGS-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CCOC(=O)C[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000602770672 349724718 /nfs/dbraw/zinc/72/47/18/349724718.db2.gz XKOORUWEIWTMGS-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CSCCNC(=O)NCCCn1cc[nH+]c1 ZINC000608791847 342982411 /nfs/dbraw/zinc/98/24/11/342982411.db2.gz WJJACXPGKZDXNK-UHFFFAOYSA-N 1 2 242.348 0.935 20 0 BCADLO O=c1c2c([nH]n1CCc1ccncc1)CC[NH2+]C2 ZINC000634599200 342987750 /nfs/dbraw/zinc/98/77/50/342987750.db2.gz CVJHWGHPIBZSOZ-NSHDSACASA-N 1 2 244.298 0.432 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000308172757 259339012 /nfs/dbraw/zinc/33/90/12/259339012.db2.gz WYNUJGKUEYYBDS-SECBINFHSA-N 1 2 244.335 0.785 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000308172757 259339014 /nfs/dbraw/zinc/33/90/14/259339014.db2.gz WYNUJGKUEYYBDS-SECBINFHSA-N 1 2 244.335 0.785 20 0 BCADLO c1csc(NCC[NH+]2CCOCC2)n1 ZINC000021043480 343003015 /nfs/dbraw/zinc/00/30/15/343003015.db2.gz FDWXSLAJSNGVDB-UHFFFAOYSA-N 1 2 213.306 0.887 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000602782228 349747188 /nfs/dbraw/zinc/74/71/88/349747188.db2.gz MNIQGWQETJNFCC-PHIMTYICSA-N 1 2 209.293 0.653 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000602782228 349747193 /nfs/dbraw/zinc/74/71/93/349747193.db2.gz MNIQGWQETJNFCC-PHIMTYICSA-N 1 2 209.293 0.653 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCO[C@@H]1C ZINC000602820737 349760502 /nfs/dbraw/zinc/76/05/02/349760502.db2.gz KWJVFBRYSURMQQ-ZNSHCXBVSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000602820737 349760506 /nfs/dbraw/zinc/76/05/06/349760506.db2.gz KWJVFBRYSURMQQ-ZNSHCXBVSA-N 1 2 245.294 0.997 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCN(C#N)CC ZINC000602809604 349753438 /nfs/dbraw/zinc/75/34/38/349753438.db2.gz JFHYKOIXOMJYBJ-LLVKDONJSA-N 1 2 239.319 0.817 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CCN(C#N)CC ZINC000602809604 349753440 /nfs/dbraw/zinc/75/34/40/349753440.db2.gz JFHYKOIXOMJYBJ-LLVKDONJSA-N 1 2 239.319 0.817 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC000602809176 349753638 /nfs/dbraw/zinc/75/36/38/349753638.db2.gz NUIATVLUFYYLPI-MRVPVSSYSA-N 1 2 223.280 0.832 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1nncn1C ZINC000602808115 349753678 /nfs/dbraw/zinc/75/36/78/349753678.db2.gz CBCLGBUCOVQHFD-VIFPVBQESA-N 1 2 222.296 0.269 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000602814535 349756541 /nfs/dbraw/zinc/75/65/41/349756541.db2.gz DUMBSTHNVWDCJG-VXGBXAGGSA-N 1 2 241.335 0.525 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000602814535 349756543 /nfs/dbraw/zinc/75/65/43/349756543.db2.gz DUMBSTHNVWDCJG-VXGBXAGGSA-N 1 2 241.335 0.525 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCSC1)CC[NH2+]C2 ZINC000634628129 343034630 /nfs/dbraw/zinc/03/46/30/343034630.db2.gz ROAKJPPZUVNSLZ-HTQZYQBOSA-N 1 2 225.317 0.300 20 0 BCADLO O=c1c2c([nH]n1-c1ccncc1F)CC[NH2+]C2 ZINC000634633742 343046651 /nfs/dbraw/zinc/04/66/51/343046651.db2.gz FIABCQZYPFDAGY-ZETCQYMHSA-N 1 2 234.234 0.533 20 0 BCADLO CCC(CC)(CO)CNC(=O)Cn1cc[nH+]c1 ZINC000310440083 259344231 /nfs/dbraw/zinc/34/42/31/259344231.db2.gz VPDUKTASFHRKDG-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1cnccn1 ZINC000602881556 349791979 /nfs/dbraw/zinc/79/19/79/349791979.db2.gz FWFVDOABUZDDCW-UHFFFAOYSA-N 1 2 247.298 0.657 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCc1cnccn1 ZINC000602881556 349791981 /nfs/dbraw/zinc/79/19/81/349791981.db2.gz FWFVDOABUZDDCW-UHFFFAOYSA-N 1 2 247.298 0.657 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1nc(C)cs1 ZINC000038091476 343061912 /nfs/dbraw/zinc/06/19/12/343061912.db2.gz PZVDRMLUMLJSTN-UHFFFAOYSA-N 1 2 248.373 0.976 20 0 BCADLO COC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000023253365 343062698 /nfs/dbraw/zinc/06/26/98/343062698.db2.gz PVWFWAKUVCCFPD-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO CCC(F)(F)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000602884630 349792905 /nfs/dbraw/zinc/79/29/05/349792905.db2.gz XDIRCJAWMTUSLV-SFYZADRCSA-N 1 2 237.246 0.952 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)no1 ZINC000235941731 343067365 /nfs/dbraw/zinc/06/73/65/343067365.db2.gz UZRJTGNBCZNPRT-SFYZADRCSA-N 1 2 211.265 0.627 20 0 BCADLO Cn1ccc(-c2noc(CCn3cc[nH+]c3)n2)n1 ZINC000634667151 343092076 /nfs/dbraw/zinc/09/20/76/343092076.db2.gz BWPMMTBGUKOJLV-UHFFFAOYSA-N 1 2 244.258 0.909 20 0 BCADLO Cn1cnc(C[NH2+]C[C@H](O)CC2CCCC2)n1 ZINC000236132148 343083261 /nfs/dbraw/zinc/08/32/61/343083261.db2.gz XLIAKIBJEKMMTB-LLVKDONJSA-N 1 2 238.335 0.846 20 0 BCADLO COCC1([N@H+](C)Cc2nnc(C)o2)CC1 ZINC000677725678 488201688 /nfs/dbraw/zinc/20/16/88/488201688.db2.gz FSCHVULNOFEMJE-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COCC1([N@@H+](C)Cc2nnc(C)o2)CC1 ZINC000677725678 488201693 /nfs/dbraw/zinc/20/16/93/488201693.db2.gz FSCHVULNOFEMJE-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO CCC(=O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952069 362096778 /nfs/dbraw/zinc/09/67/78/362096778.db2.gz DBMABMSBIOBQRV-UHFFFAOYSA-N 1 2 219.248 0.653 20 0 BCADLO Cn1cc[nH+]c1Cn1cc(Cn2cccn2)nn1 ZINC000640954154 362097750 /nfs/dbraw/zinc/09/77/50/362097750.db2.gz PSUDNTDIFQPRSV-UHFFFAOYSA-N 1 2 243.274 0.305 20 0 BCADLO CC1(C)C[C@@H]([NH2+]CC(F)(F)CO)CO1 ZINC000396876568 262912718 /nfs/dbraw/zinc/91/27/18/262912718.db2.gz BKDHJDCYCQIXQT-SSDOTTSWSA-N 1 2 209.236 0.771 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](CF)C1 ZINC000622700508 343117377 /nfs/dbraw/zinc/11/73/77/343117377.db2.gz NUUSXSKDUFMWIF-JTQLQIEISA-N 1 2 241.266 0.160 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000193576560 136270927 /nfs/dbraw/zinc/27/09/27/136270927.db2.gz KDIBEIISBQMOOI-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ncccc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000193576560 136270928 /nfs/dbraw/zinc/27/09/28/136270928.db2.gz KDIBEIISBQMOOI-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO CC[C@@H]([NH3+])C(=O)NCCCc1cn[nH]c1C ZINC000050183139 343136222 /nfs/dbraw/zinc/13/62/22/343136222.db2.gz QLUYCSPJTNEIAD-SNVBAGLBSA-N 1 2 224.308 0.504 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C[NH2+]C1CC1 ZINC000050183141 343136419 /nfs/dbraw/zinc/13/64/19/343136419.db2.gz HLGVIQXVHTWZMC-UHFFFAOYSA-N 1 2 236.319 0.519 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000029173177 343136719 /nfs/dbraw/zinc/13/67/19/343136719.db2.gz MEWMUFLJVGYRNF-UHFFFAOYSA-N 1 2 249.314 0.306 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000029173177 343136721 /nfs/dbraw/zinc/13/67/21/343136721.db2.gz MEWMUFLJVGYRNF-UHFFFAOYSA-N 1 2 249.314 0.306 20 0 BCADLO CC[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493554318 529690992 /nfs/dbraw/zinc/69/09/92/529690992.db2.gz LXISYVNHLXJLMQ-XOULXFPDSA-N 1 2 223.276 0.700 20 0 BCADLO Cc1ccc(NC[C@H]2C[N@H+](C)CCO2)nn1 ZINC000085791170 488205158 /nfs/dbraw/zinc/20/51/58/488205158.db2.gz XBOXPJBFXPVBLH-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccc(NC[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000085791170 488205160 /nfs/dbraw/zinc/20/51/60/488205160.db2.gz XBOXPJBFXPVBLH-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO C[C@@H](NC(=O)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000125388663 343173639 /nfs/dbraw/zinc/17/36/39/343173639.db2.gz KWECWUBFDOOMOH-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO Cc1cc(N2C[C@H](CO)OC(C)(C)C2)nc[nH+]1 ZINC000163717365 343207248 /nfs/dbraw/zinc/20/72/48/343207248.db2.gz GLZCLKWSKCZVTN-SNVBAGLBSA-N 1 2 237.303 0.761 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](O)[C@@H](C)C1 ZINC000167921484 343209609 /nfs/dbraw/zinc/20/96/09/343209609.db2.gz ONNUSAXGOPJAEO-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](O)[C@@H](C)C1 ZINC000167921484 343209610 /nfs/dbraw/zinc/20/96/10/343209610.db2.gz ONNUSAXGOPJAEO-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364460241 136276166 /nfs/dbraw/zinc/27/61/66/136276166.db2.gz KSAHNAYVXAIFFB-GWCFXTLKSA-N 1 2 249.314 0.429 20 0 BCADLO COc1cncc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000625277022 343216358 /nfs/dbraw/zinc/21/63/58/343216358.db2.gz XAACCWOIOWOTOJ-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1CCOCC1 ZINC000134893288 343191670 /nfs/dbraw/zinc/19/16/70/343191670.db2.gz LHFLUTMIPCCUHC-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1CCOCC1 ZINC000134893288 343191672 /nfs/dbraw/zinc/19/16/72/343191672.db2.gz LHFLUTMIPCCUHC-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO COCCCN(C)c1nc[nH+]c(N)c1OC ZINC000134883861 343191803 /nfs/dbraw/zinc/19/18/03/343191803.db2.gz AQGVDAVFFIGVBP-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO COCCCN(C)c1[nH+]cnc(N)c1OC ZINC000134883861 343191805 /nfs/dbraw/zinc/19/18/05/343191805.db2.gz AQGVDAVFFIGVBP-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CCCOC1 ZINC000134889839 343192049 /nfs/dbraw/zinc/19/20/49/343192049.db2.gz OIDSTBPGSCAFBQ-ZETCQYMHSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CCCOC1 ZINC000134889839 343192051 /nfs/dbraw/zinc/19/20/51/343192051.db2.gz OIDSTBPGSCAFBQ-ZETCQYMHSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC(CO)CC1 ZINC000134793836 343195467 /nfs/dbraw/zinc/19/54/67/343195467.db2.gz PVFTVJDQOUHZDR-UHFFFAOYSA-N 1 2 238.291 0.276 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC(CO)CC1 ZINC000134793836 343195469 /nfs/dbraw/zinc/19/54/69/343195469.db2.gz PVFTVJDQOUHZDR-UHFFFAOYSA-N 1 2 238.291 0.276 20 0 BCADLO CN(CC1CC1)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625296307 343224451 /nfs/dbraw/zinc/22/44/51/343224451.db2.gz DALXSWGIYZILCE-UHFFFAOYSA-N 1 2 244.320 0.086 20 0 BCADLO CN(CC1CC1)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625296307 343224452 /nfs/dbraw/zinc/22/44/52/343224452.db2.gz DALXSWGIYZILCE-UHFFFAOYSA-N 1 2 244.320 0.086 20 0 BCADLO C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301863 343227445 /nfs/dbraw/zinc/22/74/45/343227445.db2.gz YXZOGPZKTWPUEA-IONNQARKSA-N 1 2 245.304 0.007 20 0 BCADLO C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301863 343227447 /nfs/dbraw/zinc/22/74/47/343227447.db2.gz YXZOGPZKTWPUEA-IONNQARKSA-N 1 2 245.304 0.007 20 0 BCADLO NC(=O)C1([NH2+]Cc2ncccc2Cl)CC1 ZINC000625313514 343231045 /nfs/dbraw/zinc/23/10/45/343231045.db2.gz KJHJBTVOCICFBP-UHFFFAOYSA-N 1 2 225.679 0.843 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)O1 ZINC000122118346 136277820 /nfs/dbraw/zinc/27/78/20/136277820.db2.gz AUYDTNPOMTWKTA-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000035202961 343289172 /nfs/dbraw/zinc/28/91/72/343289172.db2.gz SKHFANNOBUCRPB-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO C[C@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035203012 343289186 /nfs/dbraw/zinc/28/91/86/343289186.db2.gz NORZRLNLKLVNOF-VIFPVBQESA-N 1 2 233.271 0.374 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000297578988 136291256 /nfs/dbraw/zinc/29/12/56/136291256.db2.gz RUAXIDPGFXRIQQ-UHFFFAOYSA-N 1 2 247.298 0.756 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)on1 ZINC000274356496 136285042 /nfs/dbraw/zinc/28/50/42/136285042.db2.gz YIWFQBKCUOCPBW-QWRGUYRKSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)on1 ZINC000274356496 136285043 /nfs/dbraw/zinc/28/50/43/136285043.db2.gz YIWFQBKCUOCPBW-QWRGUYRKSA-N 1 2 240.303 0.955 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641039024 362151810 /nfs/dbraw/zinc/15/18/10/362151810.db2.gz YIGDEMKDHIMYHC-LBPRGKRZSA-N 1 2 249.318 0.619 20 0 BCADLO CC(C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886877 343290253 /nfs/dbraw/zinc/29/02/53/343290253.db2.gz HTSOYZGMJKGVGZ-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO COC(=O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000609162428 343322967 /nfs/dbraw/zinc/32/29/67/343322967.db2.gz MVWNFKUXBPKDEU-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000347659922 136292929 /nfs/dbraw/zinc/29/29/29/136292929.db2.gz RQDFXMCZNWIWRD-FXQIFTODSA-N 1 2 234.246 0.277 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000347659928 136292988 /nfs/dbraw/zinc/29/29/88/136292988.db2.gz RQDFXMCZNWIWRD-XLPZGREQSA-N 1 2 234.246 0.277 20 0 BCADLO CNC(=O)[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070008021 343296709 /nfs/dbraw/zinc/29/67/09/343296709.db2.gz SRCDBYGNDBCKOO-SFYZADRCSA-N 1 2 210.281 0.205 20 0 BCADLO Cn1c[nH+]c(Cn2cc(C3CC3)nn2)c1 ZINC000641053688 362163910 /nfs/dbraw/zinc/16/39/10/362163910.db2.gz LNSGNOKYQDWZHO-UHFFFAOYSA-N 1 2 203.249 0.937 20 0 BCADLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599024 343357781 /nfs/dbraw/zinc/35/77/81/343357781.db2.gz KGWKOFCPZYFEHO-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnns1 ZINC000625386675 343369135 /nfs/dbraw/zinc/36/91/35/343369135.db2.gz FVXNMGMXBJXGAB-WPRPVWTQSA-N 1 2 243.332 0.510 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnns1 ZINC000625386675 343369136 /nfs/dbraw/zinc/36/91/36/343369136.db2.gz FVXNMGMXBJXGAB-WPRPVWTQSA-N 1 2 243.332 0.510 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cnns1 ZINC000625386671 343369139 /nfs/dbraw/zinc/36/91/39/343369139.db2.gz FVXNMGMXBJXGAB-PSASIEDQSA-N 1 2 243.332 0.510 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnns1 ZINC000625386671 343369141 /nfs/dbraw/zinc/36/91/41/343369141.db2.gz FVXNMGMXBJXGAB-PSASIEDQSA-N 1 2 243.332 0.510 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cnns1 ZINC000625388368 343369972 /nfs/dbraw/zinc/36/99/72/343369972.db2.gz MSOJGUQBRFACBI-RKDXNWHRSA-N 1 2 238.316 0.249 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cnns1 ZINC000625388368 343369973 /nfs/dbraw/zinc/36/99/73/343369973.db2.gz MSOJGUQBRFACBI-RKDXNWHRSA-N 1 2 238.316 0.249 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000048581200 343371652 /nfs/dbraw/zinc/37/16/52/343371652.db2.gz PACIILSMZMLGCR-SNVBAGLBSA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000048581200 343371654 /nfs/dbraw/zinc/37/16/54/343371654.db2.gz PACIILSMZMLGCR-SNVBAGLBSA-N 1 2 239.323 0.430 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CCCC1 ZINC000348806395 136301483 /nfs/dbraw/zinc/30/14/83/136301483.db2.gz DYVIHQRIJXOURO-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1=CCCC1 ZINC000348806395 136301484 /nfs/dbraw/zinc/30/14/84/136301484.db2.gz DYVIHQRIJXOURO-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000348959735 136310529 /nfs/dbraw/zinc/31/05/29/136310529.db2.gz WVOTYLCQHHJQPT-JGVFFNPUSA-N 1 2 227.264 0.029 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000348959735 136310530 /nfs/dbraw/zinc/31/05/30/136310530.db2.gz WVOTYLCQHHJQPT-JGVFFNPUSA-N 1 2 227.264 0.029 20 0 BCADLO C[C@@H]1C[C@@H]1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641083124 362202400 /nfs/dbraw/zinc/20/24/00/362202400.db2.gz UEVNZBCEVMYVNC-FXPVBKGRSA-N 1 2 222.292 0.595 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@@H](C)[C@@H](O)C2)n1C ZINC000349404097 136344755 /nfs/dbraw/zinc/34/47/55/136344755.db2.gz DOGGHMIRNJMGJT-KOLCDFICSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000335725732 136347060 /nfs/dbraw/zinc/34/70/60/136347060.db2.gz RASYPIWPFXPPQV-NSHDSACASA-N 1 2 248.330 0.535 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000335725732 136347061 /nfs/dbraw/zinc/34/70/61/136347061.db2.gz RASYPIWPFXPPQV-NSHDSACASA-N 1 2 248.330 0.535 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276534871 187339357 /nfs/dbraw/zinc/33/93/57/187339357.db2.gz FKRSLLGTXOYXSP-HMDXOVGESA-N 1 2 223.276 0.556 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000335685462 136329900 /nfs/dbraw/zinc/32/99/00/136329900.db2.gz WLUXVMRREFYOGB-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCOCCOC ZINC000152552787 323047348 /nfs/dbraw/zinc/04/73/48/323047348.db2.gz TVZMTUMRZWANEG-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOCCOC ZINC000152552787 323047349 /nfs/dbraw/zinc/04/73/49/323047349.db2.gz TVZMTUMRZWANEG-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)CSC ZINC000187792479 259360976 /nfs/dbraw/zinc/36/09/76/259360976.db2.gz NVGKDXUDUIQHTJ-QMMMGPOBSA-N 1 2 221.322 0.205 20 0 BCADLO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccon1 ZINC000349250242 136333030 /nfs/dbraw/zinc/33/30/30/136333030.db2.gz YRHIFBDWZHVIDH-SECBINFHSA-N 1 2 246.270 0.781 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CSC ZINC000187792479 259360978 /nfs/dbraw/zinc/36/09/78/259360978.db2.gz NVGKDXUDUIQHTJ-QMMMGPOBSA-N 1 2 221.322 0.205 20 0 BCADLO Cn1c2c(cccc2F)[nH+]c1N1CC(O)C1 ZINC000335702740 136334658 /nfs/dbraw/zinc/33/46/58/136334658.db2.gz FWRGZBOHXHFXGL-UHFFFAOYSA-N 1 2 221.235 0.893 20 0 BCADLO Cc1cc(Cn2cc(CCO)nn2)cc[nH+]1 ZINC000641090532 362216516 /nfs/dbraw/zinc/21/65/16/362216516.db2.gz YBUQHJWTMIPWMI-UHFFFAOYSA-N 1 2 218.260 0.565 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000042338260 343435155 /nfs/dbraw/zinc/43/51/55/343435155.db2.gz LAIDQNLFTNVLBL-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cnn1C ZINC000042532643 343441843 /nfs/dbraw/zinc/44/18/43/343441843.db2.gz ONWUXEPMBKKVBY-VIFPVBQESA-N 1 2 247.302 0.744 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCC(F)(F)C1 ZINC000582130267 346940218 /nfs/dbraw/zinc/94/02/18/346940218.db2.gz XCRSOJXPJNHLIF-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CNC(=O)CCC[N@H+]1CCC(F)(F)C1 ZINC000582130267 346940220 /nfs/dbraw/zinc/94/02/20/346940220.db2.gz XCRSOJXPJNHLIF-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CC(C)[C@H](O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000350551464 136361975 /nfs/dbraw/zinc/36/19/75/136361975.db2.gz BAHCYAKEQRZJKO-RYUDHWBXSA-N 1 2 242.363 0.851 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351097250 136367539 /nfs/dbraw/zinc/36/75/39/136367539.db2.gz IKSDZOZEYQNJKE-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351097250 136367540 /nfs/dbraw/zinc/36/75/40/136367540.db2.gz IKSDZOZEYQNJKE-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CCOC(C)(C)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000166944071 136367822 /nfs/dbraw/zinc/36/78/22/136367822.db2.gz SVNOCGGRTHRIPR-SECBINFHSA-N 1 2 237.365 0.824 20 0 BCADLO Cc1noc(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000082680858 343460247 /nfs/dbraw/zinc/46/02/47/343460247.db2.gz ONSXEWQYGICBIB-RXMQYKEDSA-N 1 2 225.170 0.391 20 0 BCADLO Cc1nc([C@@H](C)[N@H+](C)C2CC(O)C2)no1 ZINC000351577309 136369310 /nfs/dbraw/zinc/36/93/10/136369310.db2.gz FDPWCIPHCFYEKI-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+](C)C2CC(O)C2)no1 ZINC000351577309 136369311 /nfs/dbraw/zinc/36/93/11/136369311.db2.gz FDPWCIPHCFYEKI-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1C1CC1 ZINC000351786535 136370672 /nfs/dbraw/zinc/37/06/72/136370672.db2.gz XUAZIRRFNFDHQD-KCJUWKMLSA-N 1 2 236.319 0.734 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1C1CC1 ZINC000351786535 136370673 /nfs/dbraw/zinc/37/06/73/136370673.db2.gz XUAZIRRFNFDHQD-KCJUWKMLSA-N 1 2 236.319 0.734 20 0 BCADLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CO1 ZINC000616496660 343480998 /nfs/dbraw/zinc/48/09/98/343480998.db2.gz LMGBFDPAFKQHSO-UKKRHICBSA-N 1 2 249.314 0.817 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C)C1 ZINC000577003348 365753190 /nfs/dbraw/zinc/75/31/90/365753190.db2.gz SIAFYDZTPDWHIG-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C)C1 ZINC000577003348 365753194 /nfs/dbraw/zinc/75/31/94/365753194.db2.gz SIAFYDZTPDWHIG-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO CCc1cc(N[C@@H](CO)c2ccnn2C)nc[nH+]1 ZINC000631298380 343460290 /nfs/dbraw/zinc/46/02/90/343460290.db2.gz IBTHJFUNTUHZSA-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cccc(O)c1 ZINC000310397158 343471172 /nfs/dbraw/zinc/47/11/72/343471172.db2.gz MFGVOTYGJAXNOH-UHFFFAOYSA-N 1 2 231.255 0.905 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)C[C@H](C)O ZINC000083995515 343513063 /nfs/dbraw/zinc/51/30/63/343513063.db2.gz JMRBGDDLFNWHGP-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)C[C@H](C)O ZINC000083995515 343513066 /nfs/dbraw/zinc/51/30/66/343513066.db2.gz JMRBGDDLFNWHGP-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C[C@@H](C)O ZINC000083995509 343513161 /nfs/dbraw/zinc/51/31/61/343513161.db2.gz CDPORBQWAXJLRN-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C[C@@H](C)O ZINC000083995509 343513162 /nfs/dbraw/zinc/51/31/62/343513162.db2.gz CDPORBQWAXJLRN-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C/C=C\CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000623726113 343517370 /nfs/dbraw/zinc/51/73/70/343517370.db2.gz ZJTGJSPASZZHDM-DLRQAJBASA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C\CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000623726113 343517373 /nfs/dbraw/zinc/51/73/73/343517373.db2.gz ZJTGJSPASZZHDM-DLRQAJBASA-N 1 2 241.335 0.582 20 0 BCADLO CNC(=O)Cn1c2ccccc2[nH+]c1NCCO ZINC000046485790 343546396 /nfs/dbraw/zinc/54/63/96/343546396.db2.gz HFCPRZCGUMQLJQ-UHFFFAOYSA-N 1 2 248.286 0.187 20 0 BCADLO CC(=O)CCC(=O)NCC[NH+]1CCSCC1 ZINC000230937725 343563084 /nfs/dbraw/zinc/56/30/84/343563084.db2.gz NAYAQYBYNWGDTE-UHFFFAOYSA-N 1 2 244.360 0.521 20 0 BCADLO COC(=O)[C@H](C)NCc1[nH+]ccn1C1CC1 ZINC000711729617 537782713 /nfs/dbraw/zinc/78/27/13/537782713.db2.gz ACRAMFFXXOYSEQ-QMMMGPOBSA-N 1 2 223.276 0.869 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2nccs2)C[C@H]1O ZINC000570197118 323052506 /nfs/dbraw/zinc/05/25/06/323052506.db2.gz SCJACADOCVSINH-DTWKUNHWSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2nccs2)C[C@H]1O ZINC000570197118 323052507 /nfs/dbraw/zinc/05/25/07/323052507.db2.gz SCJACADOCVSINH-DTWKUNHWSA-N 1 2 228.317 0.318 20 0 BCADLO COCC[C@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628290152 346947243 /nfs/dbraw/zinc/94/72/43/346947243.db2.gz WCGLIAGGCVUPTO-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC(C)(C)O ZINC000086274678 343616800 /nfs/dbraw/zinc/61/68/00/343616800.db2.gz KLMRXRWRESFXOM-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC(C)(C)O ZINC000086274678 343616802 /nfs/dbraw/zinc/61/68/02/343616802.db2.gz KLMRXRWRESFXOM-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000620060620 343616984 /nfs/dbraw/zinc/61/69/84/343616984.db2.gz IHGGCMJKAFILRF-UWVGGRQHSA-N 1 2 249.314 0.475 20 0 BCADLO CC(C)[C@@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000086123602 343611125 /nfs/dbraw/zinc/61/11/25/343611125.db2.gz YZULTOJMNFZLRG-SECBINFHSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@](C)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000390598710 537799247 /nfs/dbraw/zinc/79/92/47/537799247.db2.gz AVRXBHYRZJOTSI-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)nn1 ZINC000283474370 187344077 /nfs/dbraw/zinc/34/40/77/187344077.db2.gz IRTZPNSWURIREA-UHFFFAOYSA-N 1 2 238.291 0.005 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)nn1 ZINC000283474370 187344078 /nfs/dbraw/zinc/34/40/78/187344078.db2.gz IRTZPNSWURIREA-UHFFFAOYSA-N 1 2 238.291 0.005 20 0 BCADLO CC[NH+](CC)Cc1cn(Cc2nnc(C)[nH]2)nn1 ZINC000641165705 362248788 /nfs/dbraw/zinc/24/87/88/362248788.db2.gz DXCJOWNWRBVVNN-UHFFFAOYSA-N 1 2 249.322 0.595 20 0 BCADLO c1cn(-c2cc(N3CCCOCC3)ncn2)c[nH+]1 ZINC000077213765 343672161 /nfs/dbraw/zinc/67/21/61/343672161.db2.gz LOQNJKDMDXVION-UHFFFAOYSA-N 1 2 245.286 0.889 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC)C1CC1 ZINC000087478698 343650676 /nfs/dbraw/zinc/65/06/76/343650676.db2.gz ZAINZFMIKPAWFC-CBAPKCEASA-N 1 2 201.266 0.563 20 0 BCADLO Cc1nc(C)c(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000621565590 343654283 /nfs/dbraw/zinc/65/42/83/343654283.db2.gz ACVLXCVGLHUUTM-UHFFFAOYSA-N 1 2 233.275 0.653 20 0 BCADLO COC(=O)C12CCC(CC1)[N@@H+]2CC(=O)N(C)C ZINC000602984207 349836219 /nfs/dbraw/zinc/83/62/19/349836219.db2.gz BSPVHXDTDILXRO-UHFFFAOYSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)C12CCC(CC1)[N@H+]2CC(=O)N(C)C ZINC000602984207 349836222 /nfs/dbraw/zinc/83/62/22/349836222.db2.gz BSPVHXDTDILXRO-UHFFFAOYSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCOC[C@H]1C(N)=O ZINC000247289222 343697207 /nfs/dbraw/zinc/69/72/07/343697207.db2.gz ZAHSZVUSEUTKAX-BDAKNGLRSA-N 1 2 200.282 0.219 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCOC[C@H]1C(N)=O ZINC000247289222 343697211 /nfs/dbraw/zinc/69/72/11/343697211.db2.gz ZAHSZVUSEUTKAX-BDAKNGLRSA-N 1 2 200.282 0.219 20 0 BCADLO COCC[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000048023655 343701668 /nfs/dbraw/zinc/70/16/68/343701668.db2.gz XCHQMVLAXYNOLA-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO COCC[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000048023655 343701669 /nfs/dbraw/zinc/70/16/69/343701669.db2.gz XCHQMVLAXYNOLA-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000048047725 343705745 /nfs/dbraw/zinc/70/57/45/343705745.db2.gz NXGJICJQONBEQB-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000048047725 343705747 /nfs/dbraw/zinc/70/57/47/343705747.db2.gz NXGJICJQONBEQB-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO CCCNC(=O)NC(=O)C[NH+]1CCSCC1 ZINC000047987832 343685253 /nfs/dbraw/zinc/68/52/53/343685253.db2.gz GYLZQSADPWKEJO-UHFFFAOYSA-N 1 2 245.348 0.271 20 0 BCADLO CCN(C)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625436956 343734365 /nfs/dbraw/zinc/73/43/65/343734365.db2.gz JMQQRAZFBUKTDU-UHFFFAOYSA-N 1 2 222.292 0.246 20 0 BCADLO CN(CC1CC1)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625437376 343740311 /nfs/dbraw/zinc/74/03/11/343740311.db2.gz PXSACSPNCRDHMC-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000625442010 343741635 /nfs/dbraw/zinc/74/16/35/343741635.db2.gz JOFIFKSUXWDQIS-RKDXNWHRSA-N 1 2 222.292 0.242 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+]1CCn2nnc(CO)c2C1 ZINC000625442010 343741637 /nfs/dbraw/zinc/74/16/37/343741637.db2.gz JOFIFKSUXWDQIS-RKDXNWHRSA-N 1 2 222.292 0.242 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000312990237 343710513 /nfs/dbraw/zinc/71/05/13/343710513.db2.gz CHZMVWBREBGFDV-IUCAKERBSA-N 1 2 215.293 0.953 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000174650319 529825022 /nfs/dbraw/zinc/82/50/22/529825022.db2.gz CXVABZUQFKVLTE-UHFFFAOYSA-N 1 2 248.330 0.777 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000174650319 529825023 /nfs/dbraw/zinc/82/50/23/529825023.db2.gz CXVABZUQFKVLTE-UHFFFAOYSA-N 1 2 248.330 0.777 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cncc(OC)n1 ZINC000625446988 343771359 /nfs/dbraw/zinc/77/13/59/343771359.db2.gz ZSAHKCCKGMMJOQ-UHFFFAOYSA-N 1 2 238.291 0.183 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cncc(OC)n1 ZINC000625446988 343771361 /nfs/dbraw/zinc/77/13/61/343771361.db2.gz ZSAHKCCKGMMJOQ-UHFFFAOYSA-N 1 2 238.291 0.183 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000603034542 349860479 /nfs/dbraw/zinc/86/04/79/349860479.db2.gz YAKXTWJTFYMXSB-UHFFFAOYSA-N 1 2 227.264 0.130 20 0 BCADLO NC(=O)NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000603034542 349860483 /nfs/dbraw/zinc/86/04/83/349860483.db2.gz YAKXTWJTFYMXSB-UHFFFAOYSA-N 1 2 227.264 0.130 20 0 BCADLO Cc1nccnc1C[N@H+](C)CC(=O)NC1CC1 ZINC000621709922 343761336 /nfs/dbraw/zinc/76/13/36/343761336.db2.gz KZWXYOPYXNJMIY-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000621709922 343761339 /nfs/dbraw/zinc/76/13/39/343761339.db2.gz KZWXYOPYXNJMIY-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336441779 537810734 /nfs/dbraw/zinc/81/07/34/537810734.db2.gz BZOJHXGBQWBBMR-HTQZYQBOSA-N 1 2 213.281 0.463 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336441779 537810735 /nfs/dbraw/zinc/81/07/35/537810735.db2.gz BZOJHXGBQWBBMR-HTQZYQBOSA-N 1 2 213.281 0.463 20 0 BCADLO Cc1nc(N)sc1C(=O)N1CC[NH+](C)CC1 ZINC000055170401 187271903 /nfs/dbraw/zinc/27/19/03/187271903.db2.gz WUIKQBWNMBZLEZ-UHFFFAOYSA-N 1 2 240.332 0.421 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC1(O)CCC1 ZINC000591033919 537812911 /nfs/dbraw/zinc/81/29/11/537812911.db2.gz JQAMZBSNVYHBGF-UWVGGRQHSA-N 1 2 245.294 0.877 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC1(O)CCC1 ZINC000591033919 537812915 /nfs/dbraw/zinc/81/29/15/537812915.db2.gz JQAMZBSNVYHBGF-UWVGGRQHSA-N 1 2 245.294 0.877 20 0 BCADLO CN(CC(C)(C)CO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493652983 529846890 /nfs/dbraw/zinc/84/68/90/529846890.db2.gz FWCBYDNWPNINNL-SNAWJCMRSA-N 1 2 237.303 0.900 20 0 BCADLO Cc1nocc1C[N@H+](C)CC(=O)NC1CC1 ZINC000294810943 187350839 /nfs/dbraw/zinc/35/08/39/187350839.db2.gz FDGXAPMMGORFIB-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nocc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000294810943 187350841 /nfs/dbraw/zinc/35/08/41/187350841.db2.gz FDGXAPMMGORFIB-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370435 346985196 /nfs/dbraw/zinc/98/51/96/346985196.db2.gz ZEZJUKSOAAXFHU-GFCCVEGCSA-N 1 2 237.303 0.701 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370435 346985199 /nfs/dbraw/zinc/98/51/99/346985199.db2.gz ZEZJUKSOAAXFHU-GFCCVEGCSA-N 1 2 237.303 0.701 20 0 BCADLO CCOC(=O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000603164121 349879831 /nfs/dbraw/zinc/87/98/31/349879831.db2.gz VHCOMGPCUSVHIQ-UHFFFAOYSA-N 1 2 221.220 0.226 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487400203 529904130 /nfs/dbraw/zinc/90/41/30/529904130.db2.gz SSCXUKGRYAIYTJ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000487400203 529904131 /nfs/dbraw/zinc/90/41/31/529904131.db2.gz SSCXUKGRYAIYTJ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/C1CC1 ZINC000493216845 529910096 /nfs/dbraw/zinc/91/00/96/529910096.db2.gz FBVYVVNRLKECLW-SNAWJCMRSA-N 1 2 238.331 0.743 20 0 BCADLO C[C@@H]1C[N@H+](CCO)CCN1Cc1cnns1 ZINC000625464814 343871539 /nfs/dbraw/zinc/87/15/39/343871539.db2.gz XBJAFNSEVHDTKP-SECBINFHSA-N 1 2 242.348 0.037 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cnns1 ZINC000625464814 343871542 /nfs/dbraw/zinc/87/15/42/343871542.db2.gz XBJAFNSEVHDTKP-SECBINFHSA-N 1 2 242.348 0.037 20 0 BCADLO c1cc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)on1 ZINC000625474262 343873896 /nfs/dbraw/zinc/87/38/96/343873896.db2.gz JKVJMQYXFVFDDG-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO c1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)on1 ZINC000625474262 343873898 /nfs/dbraw/zinc/87/38/98/343873898.db2.gz JKVJMQYXFVFDDG-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO COc1cncc(C[N@H+](C)CCNC(C)=O)n1 ZINC000625507893 343898217 /nfs/dbraw/zinc/89/82/17/343898217.db2.gz PLNYOJZHRIDAPY-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO COc1cncc(C[N@@H+](C)CCNC(C)=O)n1 ZINC000625507893 343898219 /nfs/dbraw/zinc/89/82/19/343898219.db2.gz PLNYOJZHRIDAPY-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CN(CCn1cccn1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493357764 529939873 /nfs/dbraw/zinc/93/98/73/529939873.db2.gz UZLSJOMOCKJUFP-ONEGZZNKSA-N 1 2 245.286 0.778 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ncc[nH]1 ZINC000336733766 537832951 /nfs/dbraw/zinc/83/29/51/537832951.db2.gz GUUIIYZBKUYWCS-ZCFIWIBFSA-N 1 2 232.234 0.442 20 0 BCADLO CC[C@@H](O)CN1CC[NH+](CCOC)CC1 ZINC000106382492 347013774 /nfs/dbraw/zinc/01/37/74/347013774.db2.gz MJWALIBQFGZPDG-LLVKDONJSA-N 1 2 216.325 0.021 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC2(COC2)C1 ZINC000620293273 343909563 /nfs/dbraw/zinc/90/95/63/343909563.db2.gz MFGCIIKEEQISTP-UHFFFAOYSA-N 1 2 235.287 0.522 20 0 BCADLO CCOC(=O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000603221855 349897795 /nfs/dbraw/zinc/89/77/95/349897795.db2.gz HHCIGLHLULNLCB-UHFFFAOYSA-N 1 2 249.274 0.742 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[C@H]2C1 ZINC000619358586 343937088 /nfs/dbraw/zinc/93/70/88/343937088.db2.gz VROXCGUYHKBFTJ-UWVGGRQHSA-N 1 2 205.261 0.752 20 0 BCADLO CCN(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000625516631 343915648 /nfs/dbraw/zinc/91/56/48/343915648.db2.gz DJHUQCDNZJSVFW-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCN(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000625516631 343915650 /nfs/dbraw/zinc/91/56/50/343915650.db2.gz DJHUQCDNZJSVFW-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CN(C)c1ccc(Cn2cc(CO)nn2)c[nH+]1 ZINC000641177024 362254731 /nfs/dbraw/zinc/25/47/31/362254731.db2.gz DDKMJVRGPLXGRU-UHFFFAOYSA-N 1 2 233.275 0.280 20 0 BCADLO CCn1cc(C[NH+]2CCSCC2)nn1 ZINC000641187850 362258333 /nfs/dbraw/zinc/25/83/33/362258333.db2.gz UWWKYYYIJBVGDJ-UHFFFAOYSA-N 1 2 212.322 0.847 20 0 BCADLO CC(C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000135089524 343932583 /nfs/dbraw/zinc/93/25/83/343932583.db2.gz BTKGKHWLDNQBKV-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CCOC(=O)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000603222616 349897547 /nfs/dbraw/zinc/89/75/47/349897547.db2.gz KGBMBYROLXLHHB-UHFFFAOYSA-N 1 2 249.274 0.166 20 0 BCADLO CCNC(=O)CN(CC)Cc1[nH]cc(C)[nH+]1 ZINC000628120893 343971278 /nfs/dbraw/zinc/97/12/78/343971278.db2.gz JGPFWZCJUHDJII-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO C[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000641240353 362297251 /nfs/dbraw/zinc/29/72/51/362297251.db2.gz IFQHQAAWYDSYKT-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O[C@@H]1CCCC[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641209130 362270465 /nfs/dbraw/zinc/27/04/65/362270465.db2.gz RYPJBWOBXLBVNZ-NWDGAFQWSA-N 1 2 247.302 0.999 20 0 BCADLO OC1(Cn2cc(Cn3cc[nH+]c3)nn2)CCC1 ZINC000641215929 362278825 /nfs/dbraw/zinc/27/88/25/362278825.db2.gz BZWXHSWNKMXPPM-UHFFFAOYSA-N 1 2 233.275 0.438 20 0 BCADLO CCc1nnc2n1CCN(Cc1[nH]cc(C)[nH+]1)C2 ZINC000628118012 343967316 /nfs/dbraw/zinc/96/73/16/343967316.db2.gz CWXSDXXPDFORAX-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CC(=O)CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330377506 187357507 /nfs/dbraw/zinc/35/75/07/187357507.db2.gz IVWVVBFBOWKUIU-SNVBAGLBSA-N 1 2 242.319 0.193 20 0 BCADLO CC(=O)CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330377506 187357508 /nfs/dbraw/zinc/35/75/08/187357508.db2.gz IVWVVBFBOWKUIU-SNVBAGLBSA-N 1 2 242.319 0.193 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727398 344058355 /nfs/dbraw/zinc/05/83/55/344058355.db2.gz WGOANFMHDHFIHI-LLVKDONJSA-N 1 2 220.272 0.972 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727398 344058358 /nfs/dbraw/zinc/05/83/58/344058358.db2.gz WGOANFMHDHFIHI-LLVKDONJSA-N 1 2 220.272 0.972 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C1CC1 ZINC000234551792 344063487 /nfs/dbraw/zinc/06/34/87/344063487.db2.gz QRNFCXLMUXDQHR-APPZFPTMSA-N 1 2 201.266 0.299 20 0 BCADLO CCN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641267877 362340418 /nfs/dbraw/zinc/34/04/18/362340418.db2.gz MWSBBIOQKSRPQG-UHFFFAOYSA-N 1 2 243.332 0.697 20 0 BCADLO CC(=O)NCCCNc1cc[nH+]cc1F ZINC000641281103 362343627 /nfs/dbraw/zinc/34/36/27/362343627.db2.gz LKKSYCAWGHSELG-UHFFFAOYSA-N 1 2 211.240 0.581 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)CO ZINC000331184091 187358699 /nfs/dbraw/zinc/35/86/99/187358699.db2.gz IGQMDQKZXBHAGH-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)nn1 ZINC000634734744 344116240 /nfs/dbraw/zinc/11/62/40/344116240.db2.gz NKVYTVHBKCEPSF-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)nn1 ZINC000634734744 344116243 /nfs/dbraw/zinc/11/62/43/344116243.db2.gz NKVYTVHBKCEPSF-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO CC(C)(CNc1cc[nH+]cc1F)C(N)=O ZINC000641298950 362349853 /nfs/dbraw/zinc/34/98/53/362349853.db2.gz PYKVPSBIYPJDLA-UHFFFAOYSA-N 1 2 211.240 0.566 20 0 BCADLO CNC(=O)CCCNc1cc[nH+]cc1F ZINC000641300166 362350946 /nfs/dbraw/zinc/35/09/46/362350946.db2.gz WJKKDAWGWAVBRH-UHFFFAOYSA-N 1 2 211.240 0.581 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnnn1C ZINC000330584195 187357701 /nfs/dbraw/zinc/35/77/01/187357701.db2.gz SRIZNGQWTACRJI-UHFFFAOYSA-N 1 2 211.269 0.561 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnnn1C ZINC000330584195 187357702 /nfs/dbraw/zinc/35/77/02/187357702.db2.gz SRIZNGQWTACRJI-UHFFFAOYSA-N 1 2 211.269 0.561 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H](C)C(C)C)nn1 ZINC000603259846 349902173 /nfs/dbraw/zinc/90/21/73/349902173.db2.gz KDSMHMUSELHFNB-WCBMZHEXSA-N 1 2 240.307 0.538 20 0 BCADLO C[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641313049 362358593 /nfs/dbraw/zinc/35/85/93/362358593.db2.gz LGEKKTKVVDXWCN-SNVBAGLBSA-N 1 2 243.332 0.555 20 0 BCADLO CN(C)C(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634737284 344135116 /nfs/dbraw/zinc/13/51/16/344135116.db2.gz NKYWDINWUBBBHW-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634737284 344135117 /nfs/dbraw/zinc/13/51/17/344135117.db2.gz NKYWDINWUBBBHW-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CC(=O)NCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080944962 344135505 /nfs/dbraw/zinc/13/55/05/344135505.db2.gz VGHPKEOATUSZAF-UHFFFAOYSA-N 1 2 233.275 0.814 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnsn1 ZINC000082269753 344153189 /nfs/dbraw/zinc/15/31/89/344153189.db2.gz DRHANHNECDWJNN-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO CSCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000619424475 344202154 /nfs/dbraw/zinc/20/21/54/344202154.db2.gz ZESTVBCWEQIQFR-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CSCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000619424475 344202155 /nfs/dbraw/zinc/20/21/55/344202155.db2.gz ZESTVBCWEQIQFR-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CCc1nc(C[N@H+](CC)CCCO)no1 ZINC000128478050 344206048 /nfs/dbraw/zinc/20/60/48/344206048.db2.gz KLGYLVGIPXTKIO-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1nc(C[N@@H+](CC)CCCO)no1 ZINC000128478050 344206050 /nfs/dbraw/zinc/20/60/50/344206050.db2.gz KLGYLVGIPXTKIO-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)Cn1cc[nH+]c1 ZINC000131242495 344246168 /nfs/dbraw/zinc/24/61/68/344246168.db2.gz OMMPTYLEMFRDHA-UHFFFAOYSA-N 1 2 249.230 0.031 20 0 BCADLO Cc1nnc(C[N@H+](C)C2CC(O)C2)n1C ZINC000408213792 344249798 /nfs/dbraw/zinc/24/97/98/344249798.db2.gz DOMCSLFHIWXIIG-UHFFFAOYSA-N 1 2 210.281 0.079 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2CC(O)C2)n1C ZINC000408213792 344249799 /nfs/dbraw/zinc/24/97/99/344249799.db2.gz DOMCSLFHIWXIIG-UHFFFAOYSA-N 1 2 210.281 0.079 20 0 BCADLO 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CN1CC2(C[NH+](C[C@@H](O)C(C)(C)C)C2)OC1=O ZINC000496218695 530047224 /nfs/dbraw/zinc/04/72/24/530047224.db2.gz ODLKWZYPOQUBMV-SECBINFHSA-N 1 2 242.319 0.530 20 0 BCADLO CN1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000493710703 530061075 /nfs/dbraw/zinc/06/10/75/530061075.db2.gz COQWWQOUGBVENF-YEZKRMTDSA-N 1 2 248.286 0.160 20 0 BCADLO CN1CCC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1=O ZINC000493162436 530061128 /nfs/dbraw/zinc/06/11/28/530061128.db2.gz UTLVNXMSDMINEO-MOVJSRMASA-N 1 2 248.286 0.160 20 0 BCADLO CS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075705550 344785149 /nfs/dbraw/zinc/78/51/49/344785149.db2.gz PVZZPYOLGFJJJM-UHFFFAOYSA-N 1 2 243.332 0.311 20 0 BCADLO CCC1(O)CC[NH+](CC(=O)OC)CC1 ZINC000075859420 344786213 /nfs/dbraw/zinc/78/62/13/344786213.db2.gz ZCXZKIDYASIBAM-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CO ZINC000623037459 347074906 /nfs/dbraw/zinc/07/49/06/347074906.db2.gz NPCYVKDUKNJWDP-MNOVXSKESA-N 1 2 237.303 0.360 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832291 344792726 /nfs/dbraw/zinc/79/27/26/344792726.db2.gz MZBSUACRBNPNER-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CNC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832291 344792728 /nfs/dbraw/zinc/79/27/28/344792728.db2.gz MZBSUACRBNPNER-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO Cc1c[nH]c(C[NH+]2CCC(CC(N)=O)CC2)n1 ZINC000628138405 344794403 /nfs/dbraw/zinc/79/44/03/344794403.db2.gz GXURJKTYCDASBE-UHFFFAOYSA-N 1 2 236.319 0.806 20 0 BCADLO Cc1nnc(N(C)CC[NH+]2CCOCC2)s1 ZINC000077215921 344818374 /nfs/dbraw/zinc/81/83/74/344818374.db2.gz PSFOURZYBKIOHE-UHFFFAOYSA-N 1 2 242.348 0.615 20 0 BCADLO CCNC(=O)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628148959 344835430 /nfs/dbraw/zinc/83/54/30/344835430.db2.gz HDMYEZIAJWKPBZ-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000628159455 344855055 /nfs/dbraw/zinc/85/50/55/344855055.db2.gz QYJBIDWYFISXKN-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000628159455 344855058 /nfs/dbraw/zinc/85/50/58/344855058.db2.gz QYJBIDWYFISXKN-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000628159768 344855532 /nfs/dbraw/zinc/85/55/32/344855532.db2.gz XBXNYROZOGADNE-GHMZBOCLSA-N 1 2 248.330 0.961 20 0 BCADLO C[C@H](CO)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678627432 488274293 /nfs/dbraw/zinc/27/42/93/488274293.db2.gz SKBONXYEXKNRDH-NWDGAFQWSA-N 1 2 228.336 0.021 20 0 BCADLO CNC(=O)CCSCc1cn(C)c[nH+]1 ZINC000603343121 349920185 /nfs/dbraw/zinc/92/01/85/349920185.db2.gz SYTCMANWJZEQGN-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000628163605 344866761 /nfs/dbraw/zinc/86/67/61/344866761.db2.gz KMKYFGPWVXTCSN-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000628163605 344866765 /nfs/dbraw/zinc/86/67/65/344866765.db2.gz KMKYFGPWVXTCSN-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000678716695 488277977 /nfs/dbraw/zinc/27/79/77/488277977.db2.gz YFQSHSHZMDOGSD-UHFFFAOYSA-N 1 2 226.280 0.511 20 0 BCADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000678716695 488277980 /nfs/dbraw/zinc/27/79/80/488277980.db2.gz YFQSHSHZMDOGSD-UHFFFAOYSA-N 1 2 226.280 0.511 20 0 BCADLO CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000078746140 344904086 /nfs/dbraw/zinc/90/40/86/344904086.db2.gz CWMNPYSMPVNIEZ-UHFFFAOYSA-N 1 2 248.330 0.929 20 0 BCADLO Cc1c[nH]c(CN2CCN(C3CC3)C(=O)C2)[nH+]1 ZINC000628177066 344905834 /nfs/dbraw/zinc/90/58/34/344905834.db2.gz JVGYCHIYNZFYQV-UHFFFAOYSA-N 1 2 234.303 0.525 20 0 BCADLO CC(C)(C)C[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000678716788 488277674 /nfs/dbraw/zinc/27/76/74/488277674.db2.gz OAMKIFLTXJEOOV-UHFFFAOYSA-N 1 2 228.296 0.351 20 0 BCADLO CC(C)(C)C[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000678716788 488277677 /nfs/dbraw/zinc/27/76/77/488277677.db2.gz OAMKIFLTXJEOOV-UHFFFAOYSA-N 1 2 228.296 0.351 20 0 BCADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000153585428 344909867 /nfs/dbraw/zinc/90/98/67/344909867.db2.gz LQMNOJSOHFBJSR-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO Cc1c(S(=O)(=O)Nc2c[nH+]c[nH]2)cnn1C ZINC000578946008 344925522 /nfs/dbraw/zinc/92/55/22/344925522.db2.gz AQCZODRYKVZTCZ-UHFFFAOYSA-N 1 2 241.276 0.252 20 0 BCADLO Nc1nc(N2CCCC2)nc(C2CC2)[nH+]1 ZINC000082664964 537874401 /nfs/dbraw/zinc/87/44/01/537874401.db2.gz JZBJCOFGIXCPKC-UHFFFAOYSA-N 1 2 205.265 0.931 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCCC2)n1 ZINC000082664964 537874411 /nfs/dbraw/zinc/87/44/11/537874411.db2.gz JZBJCOFGIXCPKC-UHFFFAOYSA-N 1 2 205.265 0.931 20 0 BCADLO COC(=O)[C@](C)(O)C[NH+]1CC(C(F)(F)F)C1 ZINC000583421998 344934929 /nfs/dbraw/zinc/93/49/29/344934929.db2.gz ALCKWXUFVDWCDW-MRVPVSSYSA-N 1 2 241.209 0.405 20 0 BCADLO Cc1c[nH]c(CN2CCS(=O)(=O)[C@@H](C)C2)[nH+]1 ZINC000628179326 344914156 /nfs/dbraw/zinc/91/41/56/344914156.db2.gz WEMUMJONMXSFMB-VIFPVBQESA-N 1 2 243.332 0.337 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628179561 344915565 /nfs/dbraw/zinc/91/55/65/344915565.db2.gz FBJDALJWDQFCGD-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO COC[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000628179502 344915731 /nfs/dbraw/zinc/91/57/31/344915731.db2.gz CGJKIPNCIXBWFE-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCCN2c1cc(CO)cc[nH+]1 ZINC000641551510 362496347 /nfs/dbraw/zinc/49/63/47/362496347.db2.gz IGJNYYHRFRCQIS-GHMZBOCLSA-N 1 2 247.298 0.289 20 0 BCADLO CCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000409420064 344967309 /nfs/dbraw/zinc/96/73/09/344967309.db2.gz HLIFFEQCBCEDLU-UHFFFAOYSA-N 1 2 215.278 0.090 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000628190567 344944354 /nfs/dbraw/zinc/94/43/54/344944354.db2.gz JYCWDAYJJWBUMG-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000628190567 344944356 /nfs/dbraw/zinc/94/43/56/344944356.db2.gz JYCWDAYJJWBUMG-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](CO)OC[C@H]2C)[nH+]1 ZINC000628191035 344944428 /nfs/dbraw/zinc/94/44/28/344944428.db2.gz XRNSWFQDRNZNQA-ZJUUUORDSA-N 1 2 225.292 0.300 20 0 BCADLO C[N@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCNC1=O ZINC000628191348 344945489 /nfs/dbraw/zinc/94/54/89/344945489.db2.gz IALIXWIILJNUIF-SNVBAGLBSA-N 1 2 235.287 0.872 20 0 BCADLO C[N@@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCNC1=O ZINC000628191348 344945492 /nfs/dbraw/zinc/94/54/92/344945492.db2.gz IALIXWIILJNUIF-SNVBAGLBSA-N 1 2 235.287 0.872 20 0 BCADLO COCCOCC[N@H+](CC(=O)OC)C1CC1 ZINC000079500389 344981157 /nfs/dbraw/zinc/98/11/57/344981157.db2.gz RYCHDGSGFIDSBA-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO COCCOCC[N@@H+](CC(=O)OC)C1CC1 ZINC000079500389 344981158 /nfs/dbraw/zinc/98/11/58/344981158.db2.gz RYCHDGSGFIDSBA-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(F)(F)C[C@H]1CO ZINC000673231789 488280020 /nfs/dbraw/zinc/28/00/20/488280020.db2.gz CELRSWYZHXGERU-QMMMGPOBSA-N 1 2 245.229 0.112 20 0 BCADLO CC(=O)N1CC[NH+](CCNc2ncccn2)CC1 ZINC000079905262 345053953 /nfs/dbraw/zinc/05/39/53/345053953.db2.gz FUYDGNIXRVAHHE-UHFFFAOYSA-N 1 2 249.318 0.053 20 0 BCADLO CCn1cc[nH+]c1CNc1nccnc1C(N)=O ZINC000641616652 362549609 /nfs/dbraw/zinc/54/96/09/362549609.db2.gz QUFPEHIMYPXXKP-UHFFFAOYSA-N 1 2 246.274 0.404 20 0 BCADLO COCC(COC)Nc1cc[nH+]cc1F ZINC000641620985 362553317 /nfs/dbraw/zinc/55/33/17/362553317.db2.gz JWIUMAGEAHFSNQ-UHFFFAOYSA-N 1 2 214.240 0.716 20 0 BCADLO CC1(CO)CN(c2cc(CO)cc[nH+]2)C1 ZINC000641621014 362553339 /nfs/dbraw/zinc/55/33/39/362553339.db2.gz KSSCCUGQEURYBC-UHFFFAOYSA-N 1 2 208.261 0.393 20 0 BCADLO CC(C)(C(=O)N1C[C@@H]2C[C@]2(O)C1)c1c[nH+]c[nH]1 ZINC000641584073 362526449 /nfs/dbraw/zinc/52/64/49/362526449.db2.gz SVBQYCQWPPELRU-UFBFGSQYSA-N 1 2 235.287 0.281 20 0 BCADLO NC(=O)C[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641599702 362540169 /nfs/dbraw/zinc/54/01/69/362540169.db2.gz YTWWNKUUOQSHCK-SECBINFHSA-N 1 2 235.287 0.276 20 0 BCADLO OCc1cc[nH+]c(NCCc2cn[nH]c2)c1 ZINC000641602588 362540207 /nfs/dbraw/zinc/54/02/07/362540207.db2.gz ROMHDLYETBTKAM-UHFFFAOYSA-N 1 2 218.260 0.952 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641645110 362570916 /nfs/dbraw/zinc/57/09/16/362570916.db2.gz BCXOOXMEZSOXHV-NXEZZACHSA-N 1 2 224.260 0.400 20 0 BCADLO CC(=O)NCCN(C)c1cc(CO)cc[nH+]1 ZINC000641646322 362572375 /nfs/dbraw/zinc/57/23/75/362572375.db2.gz QVEHBLCPJBCMRJ-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 ZINC000334844519 345092224 /nfs/dbraw/zinc/09/22/24/345092224.db2.gz BAFCZEJCIJTJOP-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 ZINC000334844519 345092227 /nfs/dbraw/zinc/09/22/27/345092227.db2.gz BAFCZEJCIJTJOP-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CO[C@@](C)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641655122 362578594 /nfs/dbraw/zinc/57/85/94/362578594.db2.gz CZKIGVIQCXVBDF-LLVKDONJSA-N 1 2 226.276 0.383 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCC1CC1 ZINC000156072874 345122827 /nfs/dbraw/zinc/12/28/27/345122827.db2.gz DIINVANSVOBXQB-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCC1CC1 ZINC000156072874 345122829 /nfs/dbraw/zinc/12/28/29/345122829.db2.gz DIINVANSVOBXQB-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO O=C1NCCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641629590 362559986 /nfs/dbraw/zinc/55/99/86/362559986.db2.gz JMWXUBCMQGVIGW-SNVBAGLBSA-N 1 2 235.287 0.512 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641632920 362563855 /nfs/dbraw/zinc/56/38/55/362563855.db2.gz ONDSNYCPRHTGGN-GHMZBOCLSA-N 1 2 240.303 0.508 20 0 BCADLO O=C1[C@H]([NH2+]Cc2ccon2)C[C@H]2CCCCN12 ZINC000634983165 345161854 /nfs/dbraw/zinc/16/18/54/345161854.db2.gz HEGPZICAHGLIPP-GHMZBOCLSA-N 1 2 235.287 0.918 20 0 BCADLO O=C1[C@H]([NH2+]Cc2ccon2)C[C@@H]2CCCCN12 ZINC000634983168 345161909 /nfs/dbraw/zinc/16/19/09/345161909.db2.gz HEGPZICAHGLIPP-WDEREUQCSA-N 1 2 235.287 0.918 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2ccon2)CS1(=O)=O ZINC000634985831 345164946 /nfs/dbraw/zinc/16/49/46/345164946.db2.gz DPWMBWPQAMVXPN-SCZZXKLOSA-N 1 2 244.316 0.730 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2ccon2)CN1C1CC1 ZINC000634967488 345142642 /nfs/dbraw/zinc/14/26/42/345142642.db2.gz PMCRKYMVZUXAIX-SECBINFHSA-N 1 2 221.260 0.528 20 0 BCADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccon1 ZINC000634973489 345152328 /nfs/dbraw/zinc/15/23/28/345152328.db2.gz CLMRTHAOKOAZMD-JTQLQIEISA-N 1 2 225.292 0.925 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000561615737 345155995 /nfs/dbraw/zinc/15/59/95/345155995.db2.gz RFFHNAZDUOEOHW-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000561615737 345155997 /nfs/dbraw/zinc/15/59/97/345155997.db2.gz RFFHNAZDUOEOHW-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccon1 ZINC000634976191 345156167 /nfs/dbraw/zinc/15/61/67/345156167.db2.gz PXMOCVIBRPECRE-SNVBAGLBSA-N 1 2 244.316 0.732 20 0 BCADLO CCOCCN(CC)C(=O)Cn1cc[nH+]c1 ZINC000574891142 345245656 /nfs/dbraw/zinc/24/56/56/345245656.db2.gz AHQUXBKKLRAKJS-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635097102 345245863 /nfs/dbraw/zinc/24/58/63/345245863.db2.gz ADOCFIKAEOODIW-RXMQYKEDSA-N 1 2 207.155 0.862 20 0 BCADLO CNC(=O)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635120677 345252206 /nfs/dbraw/zinc/25/22/06/345252206.db2.gz YNIHPCMYCCDGSC-UHFFFAOYSA-N 1 2 246.270 0.119 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(CCCF)CC1 ZINC000402603818 345252864 /nfs/dbraw/zinc/25/28/64/345252864.db2.gz QNAAMUJPKOPXPD-SNVBAGLBSA-N 1 2 231.315 0.228 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H]2CCOC2)[nH]1 ZINC000158464196 345335969 /nfs/dbraw/zinc/33/59/69/345335969.db2.gz ISYYMFCDDZXNLQ-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCOC2)[nH]1 ZINC000158464196 345335970 /nfs/dbraw/zinc/33/59/70/345335970.db2.gz ISYYMFCDDZXNLQ-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCn2cccn2)[nH+]1 ZINC000635418932 345355957 /nfs/dbraw/zinc/35/59/57/345355957.db2.gz CREMLCPSOIAJLE-UHFFFAOYSA-N 1 2 247.302 0.528 20 0 BCADLO CC(C)(C)n1ncnc1C[NH2+]C1COC1 ZINC000331768017 187303028 /nfs/dbraw/zinc/30/30/28/187303028.db2.gz KYIDJUIBSVYINU-UHFFFAOYSA-N 1 2 210.281 0.522 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCCOCC2)[nH+]1 ZINC000635450851 345376698 /nfs/dbraw/zinc/37/66/98/345376698.db2.gz XEWCRWJGIHMDST-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CCNC1=O ZINC000635457526 345380252 /nfs/dbraw/zinc/38/02/52/345380252.db2.gz GMVJGWDMSXWEQL-LBPRGKRZSA-N 1 2 249.270 0.555 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1Cc1c[nH+]cn1C ZINC000619433751 345384525 /nfs/dbraw/zinc/38/45/25/345384525.db2.gz UWUDMBRVLHLIPA-WPRPVWTQSA-N 1 2 241.266 0.506 20 0 BCADLO Nc1[nH+]cnc(N(CCO)CC2CC2)c1Cl ZINC000381349115 345434970 /nfs/dbraw/zinc/43/49/70/345434970.db2.gz BFVZLYTVPBBYBB-UHFFFAOYSA-N 1 2 242.710 0.921 20 0 BCADLO Nc1nc[nH+]c(N(CCO)CC2CC2)c1Cl ZINC000381349115 345434977 /nfs/dbraw/zinc/43/49/77/345434977.db2.gz BFVZLYTVPBBYBB-UHFFFAOYSA-N 1 2 242.710 0.921 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C(N)=O)C2)[nH+]1 ZINC000080788205 345447455 /nfs/dbraw/zinc/44/74/55/345447455.db2.gz LTVNKQXAEHLCHY-QMMMGPOBSA-N 1 2 245.286 0.578 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCNC(=O)C2)[nH+]1 ZINC000080763131 345449964 /nfs/dbraw/zinc/44/99/64/345449964.db2.gz IMYNCFVSFRJTFA-UHFFFAOYSA-N 1 2 231.259 0.203 20 0 BCADLO C[N@H+](CC(=O)NC(N)=O)Cc1cccc(O)c1 ZINC000080919971 345451259 /nfs/dbraw/zinc/45/12/59/345451259.db2.gz CVHNHQSBRCQSLO-UHFFFAOYSA-N 1 2 237.259 0.019 20 0 BCADLO C[N@@H+](CC(=O)NC(N)=O)Cc1cccc(O)c1 ZINC000080919971 345451261 /nfs/dbraw/zinc/45/12/61/345451261.db2.gz CVHNHQSBRCQSLO-UHFFFAOYSA-N 1 2 237.259 0.019 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCOC1 ZINC000158967593 345393372 /nfs/dbraw/zinc/39/33/72/345393372.db2.gz YYYUTJCDKLVECJ-UWVGGRQHSA-N 1 2 238.291 0.360 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCOC1 ZINC000158967453 345393450 /nfs/dbraw/zinc/39/34/50/345393450.db2.gz YYYUTJCDKLVECJ-NXEZZACHSA-N 1 2 238.291 0.360 20 0 BCADLO Cn1c[nH+]cc1CSCCc1nn[nH]n1 ZINC000603338360 349929549 /nfs/dbraw/zinc/92/95/49/349929549.db2.gz JGCRIZDHKGBWFE-UHFFFAOYSA-N 1 2 224.293 0.409 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000378713300 345492672 /nfs/dbraw/zinc/49/26/72/345492672.db2.gz VXZGLVAPILCBFW-CBAPKCEASA-N 1 2 201.266 0.563 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000635536811 345494514 /nfs/dbraw/zinc/49/45/14/345494514.db2.gz XCBJGBOOEPMNRW-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000635536811 345494515 /nfs/dbraw/zinc/49/45/15/345494515.db2.gz XCBJGBOOEPMNRW-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@H]2CCOC2)[nH+]1 ZINC000635536891 345494521 /nfs/dbraw/zinc/49/45/21/345494521.db2.gz YNCWENKZODCFAR-JTQLQIEISA-N 1 2 237.303 0.762 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000172184692 187304572 /nfs/dbraw/zinc/30/45/72/187304572.db2.gz BLKXXYMWZOIIMN-ZDUSSCGKSA-N 1 2 249.314 0.419 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000172184692 187304574 /nfs/dbraw/zinc/30/45/74/187304574.db2.gz BLKXXYMWZOIIMN-ZDUSSCGKSA-N 1 2 249.314 0.419 20 0 BCADLO C[C@@H]1C[C@H](C)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000089263103 345552232 /nfs/dbraw/zinc/55/22/32/345552232.db2.gz ZLGQRPGZTMPVFL-RKDXNWHRSA-N 1 2 224.308 0.966 20 0 BCADLO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000089263103 345552234 /nfs/dbraw/zinc/55/22/34/345552234.db2.gz ZLGQRPGZTMPVFL-RKDXNWHRSA-N 1 2 224.308 0.966 20 0 BCADLO CCn1ccnc(N(C)Cc2[nH+]ccn2C)c1=O ZINC000090999200 345579417 /nfs/dbraw/zinc/57/94/17/345579417.db2.gz ODQSYLJNCQPWLA-UHFFFAOYSA-N 1 2 247.302 0.633 20 0 BCADLO CN(CC(C)(CO)CO)c1[nH]c2ccccc2[nH+]1 ZINC000091503498 345595478 /nfs/dbraw/zinc/59/54/78/345595478.db2.gz MVGGAPATQYQWCF-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091543228 345597773 /nfs/dbraw/zinc/59/77/73/345597773.db2.gz ITERJUICDSXYLZ-MRVPVSSYSA-N 1 2 210.281 0.720 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091543228 345597775 /nfs/dbraw/zinc/59/77/75/345597775.db2.gz ITERJUICDSXYLZ-MRVPVSSYSA-N 1 2 210.281 0.720 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000091581057 345598269 /nfs/dbraw/zinc/59/82/69/345598269.db2.gz HZZRAGYOCGZTOQ-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000091581057 345598271 /nfs/dbraw/zinc/59/82/71/345598271.db2.gz HZZRAGYOCGZTOQ-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091554993 345598394 /nfs/dbraw/zinc/59/83/94/345598394.db2.gz XTSKGYCFEQZFAG-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091554993 345598395 /nfs/dbraw/zinc/59/83/95/345598395.db2.gz XTSKGYCFEQZFAG-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2C2CCC2)[nH]1 ZINC000091555247 345598759 /nfs/dbraw/zinc/59/87/59/345598759.db2.gz IEMXERINIAJILT-VIFPVBQESA-N 1 2 222.292 0.863 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2C2CCC2)[nH]1 ZINC000091555247 345598761 /nfs/dbraw/zinc/59/87/61/345598761.db2.gz IEMXERINIAJILT-VIFPVBQESA-N 1 2 222.292 0.863 20 0 BCADLO CC(C)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091582693 345599263 /nfs/dbraw/zinc/59/92/63/345599263.db2.gz MSMHVIRXPARKSS-UHFFFAOYSA-N 1 2 224.308 0.966 20 0 BCADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588135 345599653 /nfs/dbraw/zinc/59/96/53/345599653.db2.gz VBIGHTBMCHRATR-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588135 345599654 /nfs/dbraw/zinc/59/96/54/345599654.db2.gz VBIGHTBMCHRATR-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO CSC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594499 345600188 /nfs/dbraw/zinc/60/01/88/345600188.db2.gz NVTHFKAOKAXHNK-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO CSC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594499 345600189 /nfs/dbraw/zinc/60/01/89/345600189.db2.gz NVTHFKAOKAXHNK-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO CC[C@@H](C)C[N@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091589315 345600194 /nfs/dbraw/zinc/60/01/94/345600194.db2.gz PWRTTZNRCHPTCM-MRVPVSSYSA-N 1 2 212.297 0.966 20 0 BCADLO CC[C@@H](C)C[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091589315 345600195 /nfs/dbraw/zinc/60/01/95/345600195.db2.gz PWRTTZNRCHPTCM-MRVPVSSYSA-N 1 2 212.297 0.966 20 0 BCADLO Cc1[nH]ncc1C[N@H+](CCO)CC1CC1 ZINC000092506266 345626300 /nfs/dbraw/zinc/62/63/00/345626300.db2.gz DPBHYKQONTVDCQ-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](CCO)CC1CC1 ZINC000092506266 345626304 /nfs/dbraw/zinc/62/63/04/345626304.db2.gz DPBHYKQONTVDCQ-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000635551606 345631636 /nfs/dbraw/zinc/63/16/36/345631636.db2.gz OMZDNDNVOSCION-VIFPVBQESA-N 1 2 225.292 0.823 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCCC1 ZINC000091078122 345582277 /nfs/dbraw/zinc/58/22/77/345582277.db2.gz KZYJEEPZCCPVFF-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCCC1 ZINC000091078122 345582278 /nfs/dbraw/zinc/58/22/78/345582278.db2.gz KZYJEEPZCCPVFF-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000091140002 345588443 /nfs/dbraw/zinc/58/84/43/345588443.db2.gz DBJFTYMQQOMWLO-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccnn2C)C1 ZINC000093888002 345667189 /nfs/dbraw/zinc/66/71/89/345667189.db2.gz NGQSVQXMYIMZKH-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccnn2C)C1 ZINC000093888002 345667191 /nfs/dbraw/zinc/66/71/91/345667191.db2.gz NGQSVQXMYIMZKH-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO Cc1nc(N2C[C@H]3C[C@@]3(O)C2)c(C)c(C)[nH+]1 ZINC000641711482 362621662 /nfs/dbraw/zinc/62/16/62/362621662.db2.gz DCDJPGPWYJEMRW-ZYHUDNBSSA-N 1 2 219.288 0.973 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1C ZINC000093332760 345652426 /nfs/dbraw/zinc/65/24/26/345652426.db2.gz VDSHDHDFBINLBU-NXEZZACHSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)n1C ZINC000093332760 345652428 /nfs/dbraw/zinc/65/24/28/345652428.db2.gz VDSHDHDFBINLBU-NXEZZACHSA-N 1 2 238.335 0.580 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093050087 345655790 /nfs/dbraw/zinc/65/57/90/345655790.db2.gz JMJWKQZANJMWMJ-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093050087 345655792 /nfs/dbraw/zinc/65/57/92/345655792.db2.gz JMJWKQZANJMWMJ-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO Cn1ccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000093444616 345670510 /nfs/dbraw/zinc/67/05/10/345670510.db2.gz MQWIXPVENAXQGI-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO Cn1ccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000093444616 345670513 /nfs/dbraw/zinc/67/05/13/345670513.db2.gz MQWIXPVENAXQGI-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000093444638 345670573 /nfs/dbraw/zinc/67/05/73/345670573.db2.gz BWIDWKNOZCLKDG-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)CCN1C1CC1 ZINC000093444638 345670575 /nfs/dbraw/zinc/67/05/75/345670575.db2.gz BWIDWKNOZCLKDG-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444852 345670992 /nfs/dbraw/zinc/67/09/92/345670992.db2.gz ASRMWORLGRLERV-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO Cn1cccc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444852 345670994 /nfs/dbraw/zinc/67/09/94/345670994.db2.gz ASRMWORLGRLERV-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21)C1CC1 ZINC000138380535 345694496 /nfs/dbraw/zinc/69/44/96/345694496.db2.gz KKHSSDQMTSRFIP-RYUDHWBXSA-N 1 2 238.331 0.861 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21)C1CC1 ZINC000138380535 345694497 /nfs/dbraw/zinc/69/44/97/345694497.db2.gz KKHSSDQMTSRFIP-RYUDHWBXSA-N 1 2 238.331 0.861 20 0 BCADLO CC(=O)Nc1cccc(N2C(=O)C[C@H]([NH3+])C2=O)c1 ZINC000031992752 345703534 /nfs/dbraw/zinc/70/35/34/345703534.db2.gz HLTONNJGSLTNIM-JTQLQIEISA-N 1 2 247.254 0.236 20 0 BCADLO C[C@H](N(C)C(=O)CCc1[nH]cc[nH+]1)C(C)(C)O ZINC000622641686 345712357 /nfs/dbraw/zinc/71/23/57/345712357.db2.gz GBUANFACJDORIL-VIFPVBQESA-N 1 2 239.319 0.960 20 0 BCADLO Cc1nnsc1CN1CC[NH+](C)CC1 ZINC000307568895 345823844 /nfs/dbraw/zinc/82/38/44/345823844.db2.gz UXOBKAHGTTZVBB-UHFFFAOYSA-N 1 2 212.322 0.594 20 0 BCADLO CCNC(=O)C(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000622683938 345800355 /nfs/dbraw/zinc/80/03/55/345800355.db2.gz LWCWNBRZEYPRKL-UHFFFAOYSA-N 1 2 238.291 0.363 20 0 BCADLO Cc1[nH]nc(C(=O)NCCc2cn(C)c[nH+]2)c1C ZINC000622685794 345801489 /nfs/dbraw/zinc/80/14/89/345801489.db2.gz KQXGMNCUVSVGAR-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2csnn2)c1 ZINC000622685927 345802541 /nfs/dbraw/zinc/80/25/41/345802541.db2.gz QIVZGJFUTZRKFU-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1C[C@H](O)C1 ZINC000620869018 345886998 /nfs/dbraw/zinc/88/69/98/345886998.db2.gz AGBJSNNYWUPQOA-HOMQSWHASA-N 1 2 245.282 0.516 20 0 BCADLO O=C(Nc1nn[nH]n1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635578266 345870580 /nfs/dbraw/zinc/87/05/80/345870580.db2.gz WMHDZGIXXDWABA-QMMMGPOBSA-N 1 2 236.279 0.155 20 0 BCADLO O=C(Nc1nn[nH]n1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635578266 345870582 /nfs/dbraw/zinc/87/05/82/345870582.db2.gz WMHDZGIXXDWABA-QMMMGPOBSA-N 1 2 236.279 0.155 20 0 BCADLO CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000363139068 168539151 /nfs/dbraw/zinc/53/91/51/168539151.db2.gz JTSTYRCDQQSTTE-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000363139068 168539155 /nfs/dbraw/zinc/53/91/55/168539155.db2.gz JTSTYRCDQQSTTE-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635629979 345904284 /nfs/dbraw/zinc/90/42/84/345904284.db2.gz MNADYUADZGLBCQ-GIPNMCIBSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635629979 345904285 /nfs/dbraw/zinc/90/42/85/345904285.db2.gz MNADYUADZGLBCQ-GIPNMCIBSA-N 1 2 249.314 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)C[C@@H](C)O)[nH+]1 ZINC000635641478 345913643 /nfs/dbraw/zinc/91/36/43/345913643.db2.gz DETKAQMLROUQEF-MRVPVSSYSA-N 1 2 225.292 0.354 20 0 BCADLO COC(=O)C(C)(C)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000083353181 345917852 /nfs/dbraw/zinc/91/78/52/345917852.db2.gz MUHSVMFZMVKXMG-UHFFFAOYSA-N 1 2 224.260 0.416 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000061759238 345919540 /nfs/dbraw/zinc/91/95/40/345919540.db2.gz DWKACLWNCCKYND-NSHDSACASA-N 1 2 244.298 0.784 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000061759238 345919543 /nfs/dbraw/zinc/91/95/43/345919543.db2.gz DWKACLWNCCKYND-NSHDSACASA-N 1 2 244.298 0.784 20 0 BCADLO Cn1cnc2c1ncnc2-n1cc[nH+]c1 ZINC000136152438 345935857 /nfs/dbraw/zinc/93/58/57/345935857.db2.gz JBRBKZHIWYZOGU-UHFFFAOYSA-N 1 2 200.205 0.549 20 0 BCADLO CCc1c[nH]c(CC(=O)N(CCO)C2CC2)[nH+]1 ZINC000635695100 345983300 /nfs/dbraw/zinc/98/33/00/345983300.db2.gz UEBMODNHITYEJT-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710896 346003984 /nfs/dbraw/zinc/00/39/84/346003984.db2.gz OHOXETONUNHZGM-DNRKLUKYSA-N 1 2 249.314 0.933 20 0 BCADLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710896 346003986 /nfs/dbraw/zinc/00/39/86/346003986.db2.gz OHOXETONUNHZGM-DNRKLUKYSA-N 1 2 249.314 0.933 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC(F)(F)C1 ZINC000635781615 346056407 /nfs/dbraw/zinc/05/64/07/346056407.db2.gz LGCCYQHPXXYRON-RNFRBKRXSA-N 1 2 227.214 0.991 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC(F)(F)C1 ZINC000635781615 346056409 /nfs/dbraw/zinc/05/64/09/346056409.db2.gz LGCCYQHPXXYRON-RNFRBKRXSA-N 1 2 227.214 0.991 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC(C)(C)CO)[nH+]1 ZINC000635716462 346027021 /nfs/dbraw/zinc/02/70/21/346027021.db2.gz RYZIEYNENDOBBU-UHFFFAOYSA-N 1 2 239.319 0.649 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2CCOC2)[nH+]1 ZINC000635728015 346039514 /nfs/dbraw/zinc/03/95/14/346039514.db2.gz OZPNUMIQJSOMIZ-VIFPVBQESA-N 1 2 223.276 0.420 20 0 BCADLO CCN(CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635737664 346045447 /nfs/dbraw/zinc/04/54/47/346045447.db2.gz WEARAEUEOATELK-NXEZZACHSA-N 1 2 237.303 0.744 20 0 BCADLO CCN(CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635737664 346045451 /nfs/dbraw/zinc/04/54/51/346045451.db2.gz WEARAEUEOATELK-NXEZZACHSA-N 1 2 237.303 0.744 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000331436750 187364205 /nfs/dbraw/zinc/36/42/05/187364205.db2.gz GUDKPNZQMRUYQE-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000331436750 187364206 /nfs/dbraw/zinc/36/42/06/187364206.db2.gz GUDKPNZQMRUYQE-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO CN(C(=O)[C@@H]1CCCC[N@@H+]1C)c1nncs1 ZINC000635800719 346067827 /nfs/dbraw/zinc/06/78/27/346067827.db2.gz BEOHVPIDWPCBNB-QMMMGPOBSA-N 1 2 240.332 0.985 20 0 BCADLO CN(C(=O)[C@@H]1CCCC[N@H+]1C)c1nncs1 ZINC000635800719 346067831 /nfs/dbraw/zinc/06/78/31/346067831.db2.gz BEOHVPIDWPCBNB-QMMMGPOBSA-N 1 2 240.332 0.985 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@@H](O)C1)CC2 ZINC000635788048 346069279 /nfs/dbraw/zinc/06/92/79/346069279.db2.gz XGNHWSTWKURJCU-AOOOYVTPSA-N 1 2 235.287 0.305 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1[nH]cnc1C)CC2 ZINC000635787875 346069343 /nfs/dbraw/zinc/06/93/43/346069343.db2.gz WIAALVDMHQVRGJ-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO CC(C)(O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635816350 346072127 /nfs/dbraw/zinc/07/21/27/346072127.db2.gz AGOWIKCDQYWXMQ-RKDXNWHRSA-N 1 2 237.303 0.790 20 0 BCADLO CC(C)(O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635816350 346072128 /nfs/dbraw/zinc/07/21/28/346072128.db2.gz AGOWIKCDQYWXMQ-RKDXNWHRSA-N 1 2 237.303 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCC(C)(C)O)[nH+]1 ZINC000635816336 346072192 /nfs/dbraw/zinc/07/21/92/346072192.db2.gz ACDQFTMIBXNCDY-UHFFFAOYSA-N 1 2 239.319 0.792 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635811758 346074445 /nfs/dbraw/zinc/07/44/45/346074445.db2.gz IJQDQRZUXLZFNX-YGNOVDJJSA-N 1 2 249.314 0.957 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635811758 346074449 /nfs/dbraw/zinc/07/44/49/346074449.db2.gz IJQDQRZUXLZFNX-YGNOVDJJSA-N 1 2 249.314 0.957 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](C)OC)[nH+]1 ZINC000635848281 346089356 /nfs/dbraw/zinc/08/93/56/346089356.db2.gz CJDHYPJKHHMJMH-QMMMGPOBSA-N 1 2 225.292 0.666 20 0 BCADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC000635875289 346095355 /nfs/dbraw/zinc/09/53/55/346095355.db2.gz WCFBHICYWPMAFL-FXPVBKGRSA-N 1 2 249.314 0.743 20 0 BCADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC000635875289 346095359 /nfs/dbraw/zinc/09/53/59/346095359.db2.gz WCFBHICYWPMAFL-FXPVBKGRSA-N 1 2 249.314 0.743 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000635918166 346108988 /nfs/dbraw/zinc/10/89/88/346108988.db2.gz OZNQGVQTIDNJGX-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO CCn1cnnc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635905638 346110172 /nfs/dbraw/zinc/11/01/72/346110172.db2.gz FJRMOHKWBHQFKG-HTQZYQBOSA-N 1 2 246.274 0.763 20 0 BCADLO CCn1cnnc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635905638 346110174 /nfs/dbraw/zinc/11/01/74/346110174.db2.gz FJRMOHKWBHQFKG-HTQZYQBOSA-N 1 2 246.274 0.763 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCOCC23CC3)[nH+]1 ZINC000635906215 346110429 /nfs/dbraw/zinc/11/04/29/346110429.db2.gz TZFMRJLDXCOYJD-UHFFFAOYSA-N 1 2 249.314 0.906 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCN1 ZINC000635921880 346114780 /nfs/dbraw/zinc/11/47/80/346114780.db2.gz OZCZGVNCHBQCNW-RKDXNWHRSA-N 1 2 220.276 0.640 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCN1 ZINC000635921880 346114781 /nfs/dbraw/zinc/11/47/81/346114781.db2.gz OZCZGVNCHBQCNW-RKDXNWHRSA-N 1 2 220.276 0.640 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(C)(CO)C2)[nH+]1 ZINC000635992314 346142747 /nfs/dbraw/zinc/14/27/47/346142747.db2.gz GJNQEZRHKULACY-UHFFFAOYSA-N 1 2 237.303 0.355 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)c1[nH]cc[nH+]1 ZINC000635952309 346121722 /nfs/dbraw/zinc/12/17/22/346121722.db2.gz QTPVMGZNVCMFIB-PRJMDXOYSA-N 1 2 209.249 0.358 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](O)CC)[nH+]1 ZINC000635954294 346123222 /nfs/dbraw/zinc/12/32/22/346123222.db2.gz MPMNGROEVNKWGL-VIFPVBQESA-N 1 2 225.292 0.402 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2ncn(C)n2)[nH+]1 ZINC000635961857 346134288 /nfs/dbraw/zinc/13/42/88/346134288.db2.gz SCYDTILUEVMDRQ-UHFFFAOYSA-N 1 2 234.263 0.282 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)[C@@H](C)O)[nH+]1 ZINC000635992921 346143789 /nfs/dbraw/zinc/14/37/89/346143789.db2.gz ZUBZBAVXAKQNPV-SCZZXKLOSA-N 1 2 239.319 0.790 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](C)C[C@@H]2C(N)=O)[nH+]1 ZINC000628241594 346200956 /nfs/dbraw/zinc/20/09/56/346200956.db2.gz BDEMYYYWPCPBMZ-WCBMZHEXSA-N 1 2 236.319 0.804 20 0 BCADLO Cc1c[nH]c(CN2CCn3ncnc3C2)[nH+]1 ZINC000628240221 346202858 /nfs/dbraw/zinc/20/28/58/346202858.db2.gz VIPLEZCCKJRHFN-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO OC[C@@H]1CC(F)(F)CN1CCn1cc[nH+]c1 ZINC000364606908 187316621 /nfs/dbraw/zinc/31/66/21/187316621.db2.gz KWKGFPZYGSPUOD-VIFPVBQESA-N 1 2 231.246 0.585 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000628238133 346195517 /nfs/dbraw/zinc/19/55/17/346195517.db2.gz MKNTXBIQSFYGRF-LLVKDONJSA-N 1 2 236.319 0.235 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000628238133 346195519 /nfs/dbraw/zinc/19/55/19/346195519.db2.gz MKNTXBIQSFYGRF-LLVKDONJSA-N 1 2 236.319 0.235 20 0 BCADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000279449942 346241363 /nfs/dbraw/zinc/24/13/63/346241363.db2.gz VNTDRJUHLCGLDN-JTQLQIEISA-N 1 2 237.303 0.503 20 0 BCADLO CCc1nc(N(CCO)C[C@@H](C)O)cc(C)[nH+]1 ZINC000291046034 346252741 /nfs/dbraw/zinc/25/27/41/346252741.db2.gz DBIUTBWWPGMNPK-SNVBAGLBSA-N 1 2 239.319 0.527 20 0 BCADLO CCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355074225 168549273 /nfs/dbraw/zinc/54/92/73/168549273.db2.gz BWYDLVDNAAFKEH-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355074225 168549274 /nfs/dbraw/zinc/54/92/74/168549274.db2.gz BWYDLVDNAAFKEH-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000628280846 346292490 /nfs/dbraw/zinc/29/24/90/346292490.db2.gz LRUIYTLVRVMSQN-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000628280846 346292493 /nfs/dbraw/zinc/29/24/93/346292493.db2.gz LRUIYTLVRVMSQN-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@H](CO)COC(C)C)n1 ZINC000628281303 346292555 /nfs/dbraw/zinc/29/25/55/346292555.db2.gz NNIAPWAXDCMFGW-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@H](CO)COC(C)C)n1 ZINC000628281303 346292559 /nfs/dbraw/zinc/29/25/59/346292559.db2.gz NNIAPWAXDCMFGW-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](CO)COC(C)C)n1 ZINC000628281304 346292722 /nfs/dbraw/zinc/29/27/22/346292722.db2.gz NNIAPWAXDCMFGW-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@@H](CO)COC(C)C)n1 ZINC000628281304 346292726 /nfs/dbraw/zinc/29/27/26/346292726.db2.gz NNIAPWAXDCMFGW-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@H](F)C[C@@H]2CO)s1 ZINC000367452394 187319928 /nfs/dbraw/zinc/31/99/28/187319928.db2.gz UKORXDNWUPOMFA-PHDIDXHHSA-N 1 2 233.268 0.148 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)s1 ZINC000367452394 187319930 /nfs/dbraw/zinc/31/99/30/187319930.db2.gz UKORXDNWUPOMFA-PHDIDXHHSA-N 1 2 233.268 0.148 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2=CCCC2)CCO1 ZINC000531853382 323116486 /nfs/dbraw/zinc/11/64/86/323116486.db2.gz OGZTYVAOIGJIEW-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H](O)C1CCC1 ZINC000636102928 346319775 /nfs/dbraw/zinc/31/97/75/346319775.db2.gz ZAJPRJIATMSGHV-JQWIXIFHSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H](O)C1CCC1 ZINC000636102930 346319852 /nfs/dbraw/zinc/31/98/52/346319852.db2.gz ZAJPRJIATMSGHV-ZYHUDNBSSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H](O)C1CCC1 ZINC000636102929 346319899 /nfs/dbraw/zinc/31/98/99/346319899.db2.gz ZAJPRJIATMSGHV-PWSUYJOCSA-N 1 2 249.314 0.475 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000636120762 346324533 /nfs/dbraw/zinc/32/45/33/346324533.db2.gz GDHZOLPPSHGOJO-MXWKQRLJSA-N 1 2 249.314 0.951 20 0 BCADLO Cc1nn(Cc2c[nH+]cn2C)c(C)c1CCO ZINC000352348889 187366064 /nfs/dbraw/zinc/36/60/64/187366064.db2.gz GZBKKJRPPQQROX-UHFFFAOYSA-N 1 2 234.303 0.817 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636230957 346362779 /nfs/dbraw/zinc/36/27/79/346362779.db2.gz SXMHAPFPNQNAQS-FNCVBFRFSA-N 1 2 221.260 0.153 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636230957 346362782 /nfs/dbraw/zinc/36/27/82/346362782.db2.gz SXMHAPFPNQNAQS-FNCVBFRFSA-N 1 2 221.260 0.153 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncccc2N)CC1 ZINC000157678507 346384419 /nfs/dbraw/zinc/38/44/19/346384419.db2.gz DVHPEQHWDQCORL-UHFFFAOYSA-N 1 2 220.276 0.051 20 0 BCADLO CCn1cc[nH+]c1CNc1nnn(C)c1C ZINC000641780780 362720714 /nfs/dbraw/zinc/72/07/14/362720714.db2.gz NAEASPWWNKRYKN-UHFFFAOYSA-N 1 2 220.280 0.952 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](CO)CC1CC1 ZINC000684470365 488317989 /nfs/dbraw/zinc/31/79/89/488317989.db2.gz HRZRGZPYFHMSNS-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](CO)CC1CC1 ZINC000684470365 488317991 /nfs/dbraw/zinc/31/79/91/488317991.db2.gz HRZRGZPYFHMSNS-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000332675780 346420086 /nfs/dbraw/zinc/42/00/86/346420086.db2.gz BQPLEEUDHZZNEQ-WDEREUQCSA-N 1 2 249.314 0.333 20 0 BCADLO COCCc1noc(C[N@H+](C)[C@H](C)COC)n1 ZINC000171629513 346428952 /nfs/dbraw/zinc/42/89/52/346428952.db2.gz NCVRCXNZDGRAPE-SECBINFHSA-N 1 2 243.307 0.725 20 0 BCADLO COCCc1noc(C[N@@H+](C)[C@H](C)COC)n1 ZINC000171629513 346428956 /nfs/dbraw/zinc/42/89/56/346428956.db2.gz NCVRCXNZDGRAPE-SECBINFHSA-N 1 2 243.307 0.725 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCCOC2)C1 ZINC000332797009 346442897 /nfs/dbraw/zinc/44/28/97/346442897.db2.gz LDVNETFEEHQCDW-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCCOC2)C1 ZINC000332797009 346442899 /nfs/dbraw/zinc/44/28/99/346442899.db2.gz LDVNETFEEHQCDW-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575063698 346486743 /nfs/dbraw/zinc/48/67/43/346486743.db2.gz BNWDHSCFKNLSCE-MNOVXSKESA-N 1 2 239.319 0.967 20 0 BCADLO CC[C@H]([NH2+]CC[C@](C)(O)COC)C(=O)OC ZINC000419208616 192103995 /nfs/dbraw/zinc/10/39/95/192103995.db2.gz RJBSSUSRUQOTSI-ONGXEEELSA-N 1 2 233.308 0.315 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000623015168 346540991 /nfs/dbraw/zinc/54/09/91/346540991.db2.gz JSIKGKVFCQIOII-SNVBAGLBSA-N 1 2 235.287 0.498 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000623015168 346540994 /nfs/dbraw/zinc/54/09/94/346540994.db2.gz JSIKGKVFCQIOII-SNVBAGLBSA-N 1 2 235.287 0.498 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1F ZINC000679226851 488322338 /nfs/dbraw/zinc/32/23/38/488322338.db2.gz VVBILNSGKSXVMR-ZJUUUORDSA-N 1 2 214.284 0.899 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1F ZINC000679226851 488322340 /nfs/dbraw/zinc/32/23/40/488322340.db2.gz VVBILNSGKSXVMR-ZJUUUORDSA-N 1 2 214.284 0.899 20 0 BCADLO CC(=O)CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000203579880 346639602 /nfs/dbraw/zinc/63/96/02/346639602.db2.gz CTBQHUHQQLOBOJ-UHFFFAOYSA-N 1 2 224.304 0.662 20 0 BCADLO Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000173990028 179138439 /nfs/dbraw/zinc/13/84/39/179138439.db2.gz YDIQWEOXBUHHPN-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000173990028 179138441 /nfs/dbraw/zinc/13/84/41/179138441.db2.gz YDIQWEOXBUHHPN-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CO[C@@H](C)C1 ZINC000401444415 346711983 /nfs/dbraw/zinc/71/19/83/346711983.db2.gz WZGVQNNFJQTEBE-BQBZGAKWSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CO[C@@H](C)C1 ZINC000401444415 346711985 /nfs/dbraw/zinc/71/19/85/346711985.db2.gz WZGVQNNFJQTEBE-BQBZGAKWSA-N 1 2 224.264 0.657 20 0 BCADLO Cn1ccc(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000589689282 346729498 /nfs/dbraw/zinc/72/94/98/346729498.db2.gz BOWXABDLCURSAG-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CC[C@H](C[N@@H+]1CC[S@](=O)[C@H](C)C1)OC ZINC000419204794 192104412 /nfs/dbraw/zinc/10/44/12/192104412.db2.gz JKEDDNQBFBOUCA-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@H](C[N@H+]1CC[S@](=O)[C@H](C)C1)OC ZINC000419204794 192104414 /nfs/dbraw/zinc/10/44/14/192104414.db2.gz JKEDDNQBFBOUCA-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387842742 347110183 /nfs/dbraw/zinc/11/01/83/347110183.db2.gz GOIKQPIELZRZJH-RKDXNWHRSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387842742 347110187 /nfs/dbraw/zinc/11/01/87/347110187.db2.gz GOIKQPIELZRZJH-RKDXNWHRSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000387842740 347110491 /nfs/dbraw/zinc/11/04/91/347110491.db2.gz GOIKQPIELZRZJH-DTWKUNHWSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000387842740 347110496 /nfs/dbraw/zinc/11/04/96/347110496.db2.gz GOIKQPIELZRZJH-DTWKUNHWSA-N 1 2 210.281 0.111 20 0 BCADLO C[C@H]1C[N@H+](CCCC(=O)N(C)C)CC[S@]1=O ZINC000571101839 323135478 /nfs/dbraw/zinc/13/54/78/323135478.db2.gz LFQYVNBBTCEWSY-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H]1C[N@@H+](CCCC(=O)N(C)C)CC[S@]1=O ZINC000571101839 323135479 /nfs/dbraw/zinc/13/54/79/323135479.db2.gz LFQYVNBBTCEWSY-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H](C(=O)Nc1cnccc1CO)[NH+]1CC(C)C1 ZINC000580326377 347131823 /nfs/dbraw/zinc/13/18/23/347131823.db2.gz GXMWZAYZGUUFAE-SNVBAGLBSA-N 1 2 249.314 0.853 20 0 BCADLO CCC(O)(CC)CNC(=O)Cn1cc[nH+]c1 ZINC000380706092 347250548 /nfs/dbraw/zinc/25/05/48/347250548.db2.gz MCNOSPLXTZENSI-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000628313563 347242158 /nfs/dbraw/zinc/24/21/58/347242158.db2.gz SVKATONCUNVGNX-NXEZZACHSA-N 1 2 225.292 0.300 20 0 BCADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)[C@H](C(N)=O)C1 ZINC000187436630 347256157 /nfs/dbraw/zinc/25/61/57/347256157.db2.gz RRKPRFNDQXSOCD-ZJUUUORDSA-N 1 2 236.319 0.506 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@H](O)C[C@H](C)C1 ZINC000401609515 347343891 /nfs/dbraw/zinc/34/38/91/347343891.db2.gz LSTRGSZIIBCIFJ-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@H](O)C[C@H](C)C1 ZINC000401609515 347343893 /nfs/dbraw/zinc/34/38/93/347343893.db2.gz LSTRGSZIIBCIFJ-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO CCN1CCN(Cc2c[nH+]c[nH]2)C(C)(C)C1=O ZINC000190029678 347319227 /nfs/dbraw/zinc/31/92/27/347319227.db2.gz GADGRWCAOOJVTD-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CCN1CCN(Cc2c[nH]c[nH+]2)C(C)(C)C1=O ZINC000190029678 347319228 /nfs/dbraw/zinc/31/92/28/347319228.db2.gz GADGRWCAOOJVTD-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CS(=O)(=O)N1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000400258962 347409830 /nfs/dbraw/zinc/40/98/30/347409830.db2.gz RGPIXJKIPDZVKO-VIFPVBQESA-N 1 2 241.316 0.527 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N[C@@H](C)C2)[nH+]c1C ZINC000628299189 347414900 /nfs/dbraw/zinc/41/49/00/347414900.db2.gz GJJWCTFSDSVXGY-ZETCQYMHSA-N 1 2 222.292 0.347 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CCCO1 ZINC000616921058 347450300 /nfs/dbraw/zinc/45/03/00/347450300.db2.gz DKKUAFMQFQBBOM-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CCCO1 ZINC000616921058 347450303 /nfs/dbraw/zinc/45/03/03/347450303.db2.gz DKKUAFMQFQBBOM-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923064 347453370 /nfs/dbraw/zinc/45/33/70/347453370.db2.gz SUFNRXNRSKBFPV-UHFFFAOYSA-N 1 2 247.302 0.951 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923064 347453372 /nfs/dbraw/zinc/45/33/72/347453372.db2.gz SUFNRXNRSKBFPV-UHFFFAOYSA-N 1 2 247.302 0.951 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nn1C ZINC000616927333 347455806 /nfs/dbraw/zinc/45/58/06/347455806.db2.gz FQSWZVHYXHAKBC-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nn1C ZINC000616927333 347455809 /nfs/dbraw/zinc/45/58/09/347455809.db2.gz FQSWZVHYXHAKBC-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@H](C)C2)[nH+]1 ZINC000628299272 347419575 /nfs/dbraw/zinc/41/95/75/347419575.db2.gz JHYYOXCGLPJNKN-MRVPVSSYSA-N 1 2 208.265 0.038 20 0 BCADLO CCOCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924589 347456118 /nfs/dbraw/zinc/45/61/18/347456118.db2.gz OWAMXQIXLJWONU-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCOCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924589 347456121 /nfs/dbraw/zinc/45/61/21/347456121.db2.gz OWAMXQIXLJWONU-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCOC1 ZINC000616924500 347456334 /nfs/dbraw/zinc/45/63/34/347456334.db2.gz LTEFCUGOYQSLSC-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCOC1 ZINC000616924500 347456336 /nfs/dbraw/zinc/45/63/36/347456336.db2.gz LTEFCUGOYQSLSC-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO COCCOCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924787 347456397 /nfs/dbraw/zinc/45/63/97/347456397.db2.gz WDIKNELUHVLSGL-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCCOCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924787 347456399 /nfs/dbraw/zinc/45/63/99/347456399.db2.gz WDIKNELUHVLSGL-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO Cc1cccc2nc(C[NH+]3C[C@H](O)[C@@H](O)C3)cn21 ZINC000278751553 179228931 /nfs/dbraw/zinc/22/89/31/179228931.db2.gz MCBPHSPEQQBVDW-RYUDHWBXSA-N 1 2 247.298 0.180 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000571469200 323145673 /nfs/dbraw/zinc/14/56/73/323145673.db2.gz QUZBJJXPJOTXFV-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000571469200 323145674 /nfs/dbraw/zinc/14/56/74/323145674.db2.gz QUZBJJXPJOTXFV-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCc3cn[nH]c3C2)CC1 ZINC000590709120 347498810 /nfs/dbraw/zinc/49/88/10/347498810.db2.gz FZOICNPHRJUYOQ-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO COC(=O)C1(C[N@H+]2CCc3cn[nH]c3C2)CC1 ZINC000590709120 347498811 /nfs/dbraw/zinc/49/88/11/347498811.db2.gz FZOICNPHRJUYOQ-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO CC[C@H](O)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929112 347496436 /nfs/dbraw/zinc/49/64/36/347496436.db2.gz UGOXUTOGKJQVLV-VIFPVBQESA-N 1 2 211.265 0.529 20 0 BCADLO CC[C@H](O)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929112 347496440 /nfs/dbraw/zinc/49/64/40/347496440.db2.gz UGOXUTOGKJQVLV-VIFPVBQESA-N 1 2 211.265 0.529 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926916 347459532 /nfs/dbraw/zinc/45/95/32/347459532.db2.gz VDURMCHXYZMGPT-WPRPVWTQSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926916 347459533 /nfs/dbraw/zinc/45/95/33/347459533.db2.gz VDURMCHXYZMGPT-WPRPVWTQSA-N 1 2 223.276 0.793 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC[C@@H](C)O ZINC000590707802 347497976 /nfs/dbraw/zinc/49/79/76/347497976.db2.gz UYXIFDGIIYVBPX-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC[C@@H](C)O ZINC000590707802 347497980 /nfs/dbraw/zinc/49/79/80/347497980.db2.gz UYXIFDGIIYVBPX-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CC(C)C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000590612450 347481910 /nfs/dbraw/zinc/48/19/10/347481910.db2.gz SMIOBZDUMBVOJZ-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577230098 365892403 /nfs/dbraw/zinc/89/24/03/365892403.db2.gz HIEXYKSGKVXDAN-WDEREUQCSA-N 1 2 242.363 0.851 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616292135 347528113 /nfs/dbraw/zinc/52/81/13/347528113.db2.gz QPBOWMDTSCDIGP-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616292135 347528115 /nfs/dbraw/zinc/52/81/15/347528115.db2.gz QPBOWMDTSCDIGP-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636595173 347533879 /nfs/dbraw/zinc/53/38/79/347533879.db2.gz KAZDKUANNYADAM-UTLUCORTSA-N 1 2 234.303 0.763 20 0 BCADLO CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590795656 347553447 /nfs/dbraw/zinc/55/34/47/347553447.db2.gz QBIQKXDQNLUQSH-VIFPVBQESA-N 1 2 229.305 0.480 20 0 BCADLO CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(N)=O ZINC000343399623 133678227 /nfs/dbraw/zinc/67/82/27/133678227.db2.gz HBBZARSZQHQDNG-SSDOTTSWSA-N 1 2 224.264 0.102 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)Cc2ccccc2)CCN1 ZINC000026197256 347602314 /nfs/dbraw/zinc/60/23/14/347602314.db2.gz POOKGJWDKHPXST-LBPRGKRZSA-N 1 2 234.299 0.022 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCN1 ZINC000026197256 347602318 /nfs/dbraw/zinc/60/23/18/347602318.db2.gz POOKGJWDKHPXST-LBPRGKRZSA-N 1 2 234.299 0.022 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2nc[nH]n2)CC1 ZINC000364870537 347574433 /nfs/dbraw/zinc/57/44/33/347574433.db2.gz IQTGIKXPPJHCTK-NXEZZACHSA-N 1 2 249.318 0.072 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636625757 347583484 /nfs/dbraw/zinc/58/34/84/347583484.db2.gz YBAGNLHSSSYKHR-SCZZXKLOSA-N 1 2 234.303 0.906 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000194848890 347585684 /nfs/dbraw/zinc/58/56/84/347585684.db2.gz WPXHLRJPUNBEAS-JTQLQIEISA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000194848890 347585687 /nfs/dbraw/zinc/58/56/87/347585687.db2.gz WPXHLRJPUNBEAS-JTQLQIEISA-N 1 2 234.303 0.694 20 0 BCADLO O=C([C@H]1CCOC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591046911 347615340 /nfs/dbraw/zinc/61/53/40/347615340.db2.gz BJTAJPZHYVHZSZ-JTQLQIEISA-N 1 2 248.282 0.708 20 0 BCADLO CCOCCNC(=O)CCCn1cc[nH+]c1 ZINC000591140403 347620446 /nfs/dbraw/zinc/62/04/46/347620446.db2.gz GYSVZQWJAQIHAY-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2cocn2)CCO1 ZINC000591177058 347625069 /nfs/dbraw/zinc/62/50/69/347625069.db2.gz LBBGOEWNJDKHJZ-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cocn2)CCO1 ZINC000591177058 347625072 /nfs/dbraw/zinc/62/50/72/347625072.db2.gz LBBGOEWNJDKHJZ-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591601548 347674837 /nfs/dbraw/zinc/67/48/37/347674837.db2.gz TVSAQXSSBULSLA-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591601548 347674842 /nfs/dbraw/zinc/67/48/42/347674842.db2.gz TVSAQXSSBULSLA-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO Cn1cnnc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869102 347704262 /nfs/dbraw/zinc/70/42/62/347704262.db2.gz JWCXFVLQPXGSKZ-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@H]1C ZINC000592128451 347738963 /nfs/dbraw/zinc/73/89/63/347738963.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H]1C ZINC000592128451 347738965 /nfs/dbraw/zinc/73/89/65/347738965.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H]1C ZINC000592128451 347738967 /nfs/dbraw/zinc/73/89/67/347738967.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H]1C ZINC000592128451 347738970 /nfs/dbraw/zinc/73/89/70/347738970.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]n2)C[C@H]1C ZINC000592128451 347738973 /nfs/dbraw/zinc/73/89/73/347738973.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]n2)C[C@H]1C ZINC000592128451 347738976 /nfs/dbraw/zinc/73/89/76/347738976.db2.gz UNDVAXYVZVPIEH-VXNVDRBHSA-N 1 2 224.264 0.046 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccon2)C1 ZINC000592206087 347756516 /nfs/dbraw/zinc/75/65/16/347756516.db2.gz LXOUBDJLSQYFCO-WCBMZHEXSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccon2)C1 ZINC000592206087 347756517 /nfs/dbraw/zinc/75/65/17/347756517.db2.gz LXOUBDJLSQYFCO-WCBMZHEXSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccon2)C1 ZINC000592206088 347756573 /nfs/dbraw/zinc/75/65/73/347756573.db2.gz LXOUBDJLSQYFCO-WPRPVWTQSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccon2)C1 ZINC000592206088 347756574 /nfs/dbraw/zinc/75/65/74/347756574.db2.gz LXOUBDJLSQYFCO-WPRPVWTQSA-N 1 2 240.259 0.030 20 0 BCADLO CC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000592868778 347830511 /nfs/dbraw/zinc/83/05/11/347830511.db2.gz ZVBPODKZALSGST-MRVPVSSYSA-N 1 2 239.275 0.647 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593016381 347845330 /nfs/dbraw/zinc/84/53/30/347845330.db2.gz ODALATMYMGGFSB-IUCAKERBSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593016381 347845332 /nfs/dbraw/zinc/84/53/32/347845332.db2.gz ODALATMYMGGFSB-IUCAKERBSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cncc(C)n1)C1CC1 ZINC000593025794 347846739 /nfs/dbraw/zinc/84/67/39/347846739.db2.gz XYTVRVHXIOROHV-LBPRGKRZSA-N 1 2 249.314 0.869 20 0 BCADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)NC(N)=O ZINC000593056187 347847226 /nfs/dbraw/zinc/84/72/26/347847226.db2.gz APTQDVKUURYLEO-MRVPVSSYSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)NC(N)=O ZINC000593056187 347847229 /nfs/dbraw/zinc/84/72/29/347847229.db2.gz APTQDVKUURYLEO-MRVPVSSYSA-N 1 2 243.307 0.071 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cncc(C)n1 ZINC000593028790 347847533 /nfs/dbraw/zinc/84/75/33/347847533.db2.gz FYQLLMSCKCUBKV-SNVBAGLBSA-N 1 2 237.303 0.821 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cncc(C)n1 ZINC000593028790 347847534 /nfs/dbraw/zinc/84/75/34/347847534.db2.gz FYQLLMSCKCUBKV-SNVBAGLBSA-N 1 2 237.303 0.821 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ncn1 ZINC000593099968 347857180 /nfs/dbraw/zinc/85/71/80/347857180.db2.gz LNFLMCQUEZVKRU-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ncn1 ZINC000593099968 347857183 /nfs/dbraw/zinc/85/71/83/347857183.db2.gz LNFLMCQUEZVKRU-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@H](C)CCO ZINC000593107616 347859734 /nfs/dbraw/zinc/85/97/34/347859734.db2.gz HDPVPDGAUHSVPR-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@H](C)CCO ZINC000593107616 347859736 /nfs/dbraw/zinc/85/97/36/347859736.db2.gz HDPVPDGAUHSVPR-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CSCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592946690 347833424 /nfs/dbraw/zinc/83/34/24/347833424.db2.gz XKVGVTRTHIWUMY-SECBINFHSA-N 1 2 239.344 0.925 20 0 BCADLO CCCC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000593183421 347869006 /nfs/dbraw/zinc/86/90/06/347869006.db2.gz WKQCRMRKCXLFKL-KXUCPTDWSA-N 1 2 242.319 0.572 20 0 BCADLO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)C(=O)OC ZINC000593183332 347869228 /nfs/dbraw/zinc/86/92/28/347869228.db2.gz UHYMVCHZYOVCHT-PWSUYJOCSA-N 1 2 245.319 0.459 20 0 BCADLO Cn1ncc2c1nc(N[C@@H]1C[C@H]3C[C@H]3C1)[nH+]c2N ZINC000333417836 537992994 /nfs/dbraw/zinc/99/29/94/537992994.db2.gz INQUCZNJWXHGLN-RNLVFQAGSA-N 1 2 244.302 1.156 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000535075175 323165751 /nfs/dbraw/zinc/16/57/51/323165751.db2.gz WHIMYCPVIUVATI-BDAKNGLRSA-N 1 2 227.264 0.214 20 0 BCADLO COC[C@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000535075175 323165752 /nfs/dbraw/zinc/16/57/52/323165752.db2.gz WHIMYCPVIUVATI-BDAKNGLRSA-N 1 2 227.264 0.214 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593692784 347928378 /nfs/dbraw/zinc/92/83/78/347928378.db2.gz DZNZVFWMJGHDOV-YHAQOWFVSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593692784 347928380 /nfs/dbraw/zinc/92/83/80/347928380.db2.gz DZNZVFWMJGHDOV-YHAQOWFVSA-N 1 2 226.301 0.688 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)c1ncc[nH]1 ZINC000577404528 365946838 /nfs/dbraw/zinc/94/68/38/365946838.db2.gz NICGOJXPJFRBFI-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306416189 323172786 /nfs/dbraw/zinc/17/27/86/323172786.db2.gz QPFSVCOCAZUXBU-JRKPZEMJSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306416189 323172787 /nfs/dbraw/zinc/17/27/87/323172787.db2.gz QPFSVCOCAZUXBU-JRKPZEMJSA-N 1 2 205.323 0.210 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000333522644 537995935 /nfs/dbraw/zinc/99/59/35/537995935.db2.gz WHAKJFPWEARHCD-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000333522644 537995946 /nfs/dbraw/zinc/99/59/46/537995946.db2.gz WHAKJFPWEARHCD-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cocn1 ZINC000594104290 348014814 /nfs/dbraw/zinc/01/48/14/348014814.db2.gz CKICDAYZCMRNRX-SECBINFHSA-N 1 2 249.274 0.759 20 0 BCADLO CCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000047532802 490119801 /nfs/dbraw/zinc/11/98/01/490119801.db2.gz ROSRJVSOCROIQX-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO O=C(Cc1cc[nH]n1)NCCCCn1cc[nH+]c1 ZINC000531300289 348025533 /nfs/dbraw/zinc/02/55/33/348025533.db2.gz KQCIYCCWBCTGMH-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CC[C@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000594551737 348068383 /nfs/dbraw/zinc/06/83/83/348068383.db2.gz CWXHBGDNMONCPY-VIFPVBQESA-N 1 2 215.293 0.954 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000594933665 348140796 /nfs/dbraw/zinc/14/07/96/348140796.db2.gz AKZDQALZAXNQHP-HRDYMLBCSA-N 1 2 238.291 0.102 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CCCF)c1 ZINC000616208275 348143202 /nfs/dbraw/zinc/14/32/02/348143202.db2.gz WMADUNJEBVIQOD-UHFFFAOYSA-N 1 2 213.256 0.829 20 0 BCADLO Cc1cc(NC(=O)NC[C@H](C)O)c(C)c[nH+]1 ZINC000577457865 365956371 /nfs/dbraw/zinc/95/63/71/365956371.db2.gz XHRXTHYLWDWILH-VIFPVBQESA-N 1 2 223.276 0.623 20 0 BCADLO Cc1cccnc1C(=O)NCC[NH+]1CCOCC1 ZINC000267470094 179362325 /nfs/dbraw/zinc/36/23/25/179362325.db2.gz QMAMXUYQLDXHLU-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616207543 348153984 /nfs/dbraw/zinc/15/39/84/348153984.db2.gz DYQOCWUHLHSCEK-SCZZXKLOSA-N 1 2 207.277 0.735 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000250567835 535070483 /nfs/dbraw/zinc/07/04/83/535070483.db2.gz YFLHYLDMIFIHOQ-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000250567835 535070488 /nfs/dbraw/zinc/07/04/88/535070488.db2.gz YFLHYLDMIFIHOQ-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO COC[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)OC ZINC000595303354 348221379 /nfs/dbraw/zinc/22/13/79/348221379.db2.gz JNDYCIMGIUCUKP-JTQLQIEISA-N 1 2 247.335 0.921 20 0 BCADLO COC[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)OC ZINC000595303354 348221381 /nfs/dbraw/zinc/22/13/81/348221381.db2.gz JNDYCIMGIUCUKP-JTQLQIEISA-N 1 2 247.335 0.921 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000595427143 348247582 /nfs/dbraw/zinc/24/75/82/348247582.db2.gz RHPRYKAIIQYOPU-PWJLMRLQSA-N 1 2 246.332 0.882 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000595427143 348247584 /nfs/dbraw/zinc/24/75/84/348247584.db2.gz RHPRYKAIIQYOPU-PWJLMRLQSA-N 1 2 246.332 0.882 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H](C)[S@@]1=O ZINC000595452533 348254098 /nfs/dbraw/zinc/25/40/98/348254098.db2.gz AVFGBGXTBGIZCV-PHSVNERMSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H](C)[S@@]1=O ZINC000595452533 348254100 /nfs/dbraw/zinc/25/41/00/348254100.db2.gz AVFGBGXTBGIZCV-PHSVNERMSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)[S@@]1=O ZINC000595455839 348254672 /nfs/dbraw/zinc/25/46/72/348254672.db2.gz RZUGYHBZWPFCDW-WRBXQSRGSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)CC[S@@]1=O ZINC000595460447 348257270 /nfs/dbraw/zinc/25/72/70/348257270.db2.gz VUASWPOPGAZVET-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO COC[C@H](C[N@H+](C)[C@H](C)C(=O)OC)OC ZINC000595465083 348257726 /nfs/dbraw/zinc/25/77/26/348257726.db2.gz NNYGICXZYFPLDC-BDAKNGLRSA-N 1 2 219.281 0.141 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@H](C)C(=O)OC)OC ZINC000595465083 348257727 /nfs/dbraw/zinc/25/77/27/348257727.db2.gz NNYGICXZYFPLDC-BDAKNGLRSA-N 1 2 219.281 0.141 20 0 BCADLO CC[C@H](C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000419238880 192114082 /nfs/dbraw/zinc/11/40/82/192114082.db2.gz HTLFNFWOFPGPEL-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO CC[C@H](C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000419238880 192114084 /nfs/dbraw/zinc/11/40/84/192114084.db2.gz HTLFNFWOFPGPEL-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO CC[C@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595526273 348271493 /nfs/dbraw/zinc/27/14/93/348271493.db2.gz JBHJTRTVLCRWHW-WCBMZHEXSA-N 1 2 203.282 0.546 20 0 BCADLO CCSCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595526736 348271602 /nfs/dbraw/zinc/27/16/02/348271602.db2.gz LKTNTJUAWGWGBN-SECBINFHSA-N 1 2 221.322 0.253 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H]1CCCCO1 ZINC000595530811 348273019 /nfs/dbraw/zinc/27/30/19/348273019.db2.gz ABWRNTSLMFIXSD-JQWIXIFHSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCSC(C)C ZINC000595531975 348273689 /nfs/dbraw/zinc/27/36/89/348273689.db2.gz NOENUIYEAUZONF-JTQLQIEISA-N 1 2 235.349 0.642 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595534938 348276188 /nfs/dbraw/zinc/27/61/88/348276188.db2.gz ZOJGCRZWRGJGLD-DTHBNOIPSA-N 1 2 227.304 0.546 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CC=CC1 ZINC000595534903 348276415 /nfs/dbraw/zinc/27/64/15/348276415.db2.gz XYFNRYWPDBGPPE-LLVKDONJSA-N 1 2 213.277 0.466 20 0 BCADLO CCN1OC[C@H]([N@H+](CC)CCSC)C1=O ZINC000595570540 348284538 /nfs/dbraw/zinc/28/45/38/348284538.db2.gz WTQZANTZAWCBMX-VIFPVBQESA-N 1 2 232.349 0.834 20 0 BCADLO CCN1OC[C@H]([N@@H+](CC)CCSC)C1=O ZINC000595570540 348284540 /nfs/dbraw/zinc/28/45/40/348284540.db2.gz WTQZANTZAWCBMX-VIFPVBQESA-N 1 2 232.349 0.834 20 0 BCADLO CCC[C@H](O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419326410 192122277 /nfs/dbraw/zinc/12/22/77/192122277.db2.gz CCCHSKKBONMTTE-UPJWGTAASA-N 1 2 244.379 0.534 20 0 BCADLO CCOC(=O)CCC[N@H+](C)Cc1cn(C)nn1 ZINC000595760882 348332866 /nfs/dbraw/zinc/33/28/66/348332866.db2.gz WNSKVQZMGBMVAB-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC000595760882 348332867 /nfs/dbraw/zinc/33/28/67/348332867.db2.gz WNSKVQZMGBMVAB-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCn1cccn1 ZINC000595771151 348336522 /nfs/dbraw/zinc/33/65/22/348336522.db2.gz XAQBKVMMRZIEBI-LLVKDONJSA-N 1 2 243.282 0.764 20 0 BCADLO COC(=O)CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595776531 348338563 /nfs/dbraw/zinc/33/85/63/348338563.db2.gz XWVRNZUVSZHGCW-SNVBAGLBSA-N 1 2 235.255 0.430 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@H](C)O ZINC000595776040 348338648 /nfs/dbraw/zinc/33/86/48/348338648.db2.gz PZUHNXVDNLIORV-WCBMZHEXSA-N 1 2 221.272 0.638 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595777774 348338809 /nfs/dbraw/zinc/33/88/09/348338809.db2.gz JRCOPZXIKVQAES-GUBZILKMSA-N 1 2 227.304 0.831 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)OC ZINC000595785022 348345642 /nfs/dbraw/zinc/34/56/42/348345642.db2.gz VQNPCICQWNWTMB-AEJSXWLSSA-N 1 2 227.304 0.831 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000595800297 348346468 /nfs/dbraw/zinc/34/64/68/348346468.db2.gz QZCFCDZSYRARMW-UHFFFAOYSA-N 1 2 245.319 0.005 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCC(CO)(CO)C1 ZINC000595800297 348346473 /nfs/dbraw/zinc/34/64/73/348346473.db2.gz QZCFCDZSYRARMW-UHFFFAOYSA-N 1 2 245.319 0.005 20 0 BCADLO Cc1ccnc(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000330968070 179417930 /nfs/dbraw/zinc/41/79/30/179417930.db2.gz FEPFFWZYCNNOPB-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO CCOC(=O)C12CC(C1)CN2Cc1c[nH+]cn1C ZINC000595861478 348383242 /nfs/dbraw/zinc/38/32/42/348383242.db2.gz HCPKMXZIUOVLKQ-UHFFFAOYSA-N 1 2 249.314 0.948 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nncn2C)C1 ZINC000595851617 348356716 /nfs/dbraw/zinc/35/67/16/348356716.db2.gz ZPOBLXKRZZTDBH-DTORHVGOSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nncn2C)C1 ZINC000595851617 348356718 /nfs/dbraw/zinc/35/67/18/348356718.db2.gz ZPOBLXKRZZTDBH-DTORHVGOSA-N 1 2 238.291 0.199 20 0 BCADLO CCCN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419332020 192123350 /nfs/dbraw/zinc/12/33/50/192123350.db2.gz SIAYXKFRBHCIOB-QWRGUYRKSA-N 1 2 200.326 0.783 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N(C)C[C@@H](C)O)c1 ZINC000596091109 348444493 /nfs/dbraw/zinc/44/44/93/348444493.db2.gz ICRGBPLEODIRGL-SECBINFHSA-N 1 2 238.287 0.614 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CNC(=O)C2)c1 ZINC000596184243 348456099 /nfs/dbraw/zinc/45/60/99/348456099.db2.gz SOMDDPFSLQDIER-SECBINFHSA-N 1 2 249.270 0.098 20 0 BCADLO Cc1nccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000396921262 349996667 /nfs/dbraw/zinc/99/66/67/349996667.db2.gz ZCDJVZFOBKIWIZ-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1nccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000396921262 349996671 /nfs/dbraw/zinc/99/66/71/349996671.db2.gz ZCDJVZFOBKIWIZ-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1cn2c(n1)C[N@H+](Cc1cnn(C)c1)CC2 ZINC000363693311 179565607 /nfs/dbraw/zinc/56/56/07/179565607.db2.gz YIGISTGJPIOTFL-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](Cc1cnn(C)c1)CC2 ZINC000363693311 179565611 /nfs/dbraw/zinc/56/56/11/179565611.db2.gz YIGISTGJPIOTFL-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2CC[C@@H]2SC)n1 ZINC000597190746 348670646 /nfs/dbraw/zinc/67/06/46/348670646.db2.gz GOWRDCPXPVJZTO-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CC[C@@H]2SC)[nH]1 ZINC000597190746 348670649 /nfs/dbraw/zinc/67/06/49/348670649.db2.gz GOWRDCPXPVJZTO-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC ZINC000401901882 348651153 /nfs/dbraw/zinc/65/11/53/348651153.db2.gz FRBIKKJWXPSJQF-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]2SC)n1 ZINC000597190745 348670783 /nfs/dbraw/zinc/67/07/83/348670783.db2.gz GOWRDCPXPVJZTO-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CC[C@@H]2SC)[nH]1 ZINC000597190745 348670786 /nfs/dbraw/zinc/67/07/86/348670786.db2.gz GOWRDCPXPVJZTO-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO CCSCC[NH2+]Cc1nc(COC)n[nH]1 ZINC000597191950 348670840 /nfs/dbraw/zinc/67/08/40/348670840.db2.gz MYBMWFIFWDEVHB-UHFFFAOYSA-N 1 2 230.337 0.794 20 0 BCADLO CCSCC[NH2+]Cc1nnc(COC)[nH]1 ZINC000597191950 348670842 /nfs/dbraw/zinc/67/08/42/348670842.db2.gz MYBMWFIFWDEVHB-UHFFFAOYSA-N 1 2 230.337 0.794 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)n1C ZINC000597084486 348655978 /nfs/dbraw/zinc/65/59/78/348655978.db2.gz ZTMKKEQPKUPFGR-JDNHERCYSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@@](C)=O)n1C ZINC000597084486 348655983 /nfs/dbraw/zinc/65/59/83/348655983.db2.gz ZTMKKEQPKUPFGR-JDNHERCYSA-N 1 2 243.376 0.927 20 0 BCADLO C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822693 348760133 /nfs/dbraw/zinc/76/01/33/348760133.db2.gz CNUONGOAIZQRGK-NXEZZACHSA-N 1 2 212.293 0.630 20 0 BCADLO C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822693 348760134 /nfs/dbraw/zinc/76/01/34/348760134.db2.gz CNUONGOAIZQRGK-NXEZZACHSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000308822693 348760136 /nfs/dbraw/zinc/76/01/36/348760136.db2.gz CNUONGOAIZQRGK-NXEZZACHSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000308822693 348760137 /nfs/dbraw/zinc/76/01/37/348760137.db2.gz CNUONGOAIZQRGK-NXEZZACHSA-N 1 2 212.293 0.630 20 0 BCADLO CSCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996266 348854087 /nfs/dbraw/zinc/85/40/87/348854087.db2.gz IEIMNZLXVDFQKN-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996266 348854088 /nfs/dbraw/zinc/85/40/88/348854088.db2.gz IEIMNZLXVDFQKN-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598458964 348976833 /nfs/dbraw/zinc/97/68/33/348976833.db2.gz APWXHNJFQOHYLI-ZETCQYMHSA-N 1 2 213.306 0.960 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccc3n[nH]cc32)n1 ZINC000623509886 362935372 /nfs/dbraw/zinc/93/53/72/362935372.db2.gz XGWIYNIOMPKBHL-UHFFFAOYSA-N 1 2 243.274 0.376 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000598674722 349019766 /nfs/dbraw/zinc/01/97/66/349019766.db2.gz SBKFMSRFJADYDT-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000598674722 349019767 /nfs/dbraw/zinc/01/97/67/349019767.db2.gz SBKFMSRFJADYDT-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000308895458 349055786 /nfs/dbraw/zinc/05/57/86/349055786.db2.gz ZDKOSWIINCEGMI-LDYMZIIASA-N 1 2 215.293 0.953 20 0 BCADLO Cc1cc(NCC[C@]2(O)CCOC2)nc[nH+]1 ZINC000404156386 490225216 /nfs/dbraw/zinc/22/52/16/490225216.db2.gz UDXUZVJJTKNKRE-NSHDSACASA-N 1 2 223.276 0.160 20 0 BCADLO Cc1cc(N2CCNC(=O)C[C@H]2C)nc[nH+]1 ZINC000599114565 349100196 /nfs/dbraw/zinc/10/01/96/349100196.db2.gz MZMXMPZYUUCJBG-SECBINFHSA-N 1 2 220.276 0.500 20 0 BCADLO CSC[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943811 349062632 /nfs/dbraw/zinc/06/26/32/349062632.db2.gz HXJXPRUIWNNBGF-RKDXNWHRSA-N 1 2 239.344 0.923 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000599342731 349152782 /nfs/dbraw/zinc/15/27/82/349152782.db2.gz UEPXQYHNRZPOBR-QXEWZRGKSA-N 1 2 215.293 0.810 20 0 BCADLO COC[C@@](C)(CC(=O)OC)[NH2+]CC(F)F ZINC000308926347 349130956 /nfs/dbraw/zinc/13/09/56/349130956.db2.gz IJAMVDQRWVAPRF-SECBINFHSA-N 1 2 225.235 0.809 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248481739 349133179 /nfs/dbraw/zinc/13/31/79/349133179.db2.gz IGOKTVGYBIJBLB-RFAUZJTJSA-N 1 2 234.365 0.210 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248481739 349133183 /nfs/dbraw/zinc/13/31/83/349133183.db2.gz IGOKTVGYBIJBLB-RFAUZJTJSA-N 1 2 234.365 0.210 20 0 BCADLO CCO[C@H](C[N@H+](C)CC(=O)OC)C1CC1 ZINC000599260339 349133283 /nfs/dbraw/zinc/13/32/83/349133283.db2.gz ZFQCBHHJODXXGO-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCO[C@H](C[N@@H+](C)CC(=O)OC)C1CC1 ZINC000599260339 349133287 /nfs/dbraw/zinc/13/32/87/349133287.db2.gz ZFQCBHHJODXXGO-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599277314 349138584 /nfs/dbraw/zinc/13/85/84/349138584.db2.gz LRKWUPLJTVYLPC-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599277314 349138587 /nfs/dbraw/zinc/13/85/87/349138587.db2.gz LRKWUPLJTVYLPC-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000599304438 349142009 /nfs/dbraw/zinc/14/20/09/349142009.db2.gz MPIYSMKKXUGJCR-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000599304438 349142013 /nfs/dbraw/zinc/14/20/13/349142013.db2.gz MPIYSMKKXUGJCR-SSDOTTSWSA-N 1 2 209.253 0.228 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2C[C@H]2C)CCOC1 ZINC000599340879 349152289 /nfs/dbraw/zinc/15/22/89/349152289.db2.gz AOHQXBPABGXZJF-KKZNHRDASA-N 1 2 213.277 0.564 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000599458928 349190489 /nfs/dbraw/zinc/19/04/89/349190489.db2.gz CCMOQUQJUDRGDY-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000599458928 349190493 /nfs/dbraw/zinc/19/04/93/349190493.db2.gz CCMOQUQJUDRGDY-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1c[nH]cn1 ZINC000599458928 349190496 /nfs/dbraw/zinc/19/04/96/349190496.db2.gz CCMOQUQJUDRGDY-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000599458928 349190500 /nfs/dbraw/zinc/19/05/00/349190500.db2.gz CCMOQUQJUDRGDY-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccon2)C1 ZINC000599557588 349217028 /nfs/dbraw/zinc/21/70/28/349217028.db2.gz AMTYCTFAPLVVRJ-LLVKDONJSA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccon2)C1 ZINC000599557588 349217030 /nfs/dbraw/zinc/21/70/30/349217030.db2.gz AMTYCTFAPLVVRJ-LLVKDONJSA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000599562967 349219038 /nfs/dbraw/zinc/21/90/38/349219038.db2.gz LHYLMXVMEXKGOP-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000599562967 349219041 /nfs/dbraw/zinc/21/90/41/349219041.db2.gz LHYLMXVMEXKGOP-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000599562967 349219044 /nfs/dbraw/zinc/21/90/44/349219044.db2.gz LHYLMXVMEXKGOP-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599578011 349225523 /nfs/dbraw/zinc/22/55/23/349225523.db2.gz CROAJCCYVWBONW-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599578011 349225528 /nfs/dbraw/zinc/22/55/28/349225528.db2.gz CROAJCCYVWBONW-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1csnn1 ZINC000307188051 349228799 /nfs/dbraw/zinc/22/87/99/349228799.db2.gz QMPLKEOQUCGSPZ-QMMMGPOBSA-N 1 2 213.306 0.883 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1csnn1 ZINC000307188051 349228805 /nfs/dbraw/zinc/22/88/05/349228805.db2.gz QMPLKEOQUCGSPZ-QMMMGPOBSA-N 1 2 213.306 0.883 20 0 BCADLO CCOC[C@H]1C[N@H+](CCCC(=O)OC)CCO1 ZINC000599618138 349228924 /nfs/dbraw/zinc/22/89/24/349228924.db2.gz KJYRKRCWPZEDKG-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCCC(=O)OC)CCO1 ZINC000599618138 349228926 /nfs/dbraw/zinc/22/89/26/349228926.db2.gz KJYRKRCWPZEDKG-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO COC(=O)NCCNc1cc(C)[nH+]cn1 ZINC000221839603 349340878 /nfs/dbraw/zinc/34/08/78/349340878.db2.gz FOWXFSMHSVHRMY-UHFFFAOYSA-N 1 2 210.237 0.553 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000082945244 349343914 /nfs/dbraw/zinc/34/39/14/349343914.db2.gz IYNHIQBWJGNQDC-GDPRMGEGSA-N 1 2 227.304 0.953 20 0 BCADLO CCC[C@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000386172793 362945756 /nfs/dbraw/zinc/94/57/56/362945756.db2.gz WRJLKRLWDSLTCE-RKDXNWHRSA-N 1 2 203.282 0.953 20 0 BCADLO CCc1nc(NCc2nn[nH]n2)cc(C)[nH+]1 ZINC000304290824 490251700 /nfs/dbraw/zinc/25/17/00/490251700.db2.gz GYXVLZUOQDNSTL-UHFFFAOYSA-N 1 2 219.252 0.473 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@H](O)C1 ZINC000061708955 349392887 /nfs/dbraw/zinc/39/28/87/349392887.db2.gz MOSWZKXZCRBMPM-VIFPVBQESA-N 1 2 225.296 0.040 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@H](O)C1 ZINC000061708955 349392889 /nfs/dbraw/zinc/39/28/89/349392889.db2.gz MOSWZKXZCRBMPM-VIFPVBQESA-N 1 2 225.296 0.040 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCOC1)CC2 ZINC000626245522 349427622 /nfs/dbraw/zinc/42/76/22/349427622.db2.gz PSAWRITXOYSGJZ-GHMZBOCLSA-N 1 2 249.314 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977622 349413652 /nfs/dbraw/zinc/41/36/52/349413652.db2.gz VTUXOBBTUVZHQW-HTQZYQBOSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977622 349413655 /nfs/dbraw/zinc/41/36/55/349413655.db2.gz VTUXOBBTUVZHQW-HTQZYQBOSA-N 1 2 237.246 0.904 20 0 BCADLO CC1(C)NC(=O)CC[C@H]1Nc1c[nH]c[nH+]1 ZINC000309141259 350080661 /nfs/dbraw/zinc/08/06/61/350080661.db2.gz TXAMWWRVZITWML-SSDOTTSWSA-N 1 2 208.265 0.879 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000342411259 538047396 /nfs/dbraw/zinc/04/73/96/538047396.db2.gz HXRYWRBEVBUICN-SDDRHHMPSA-N 1 2 240.347 0.822 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000342411259 538047400 /nfs/dbraw/zinc/04/74/00/538047400.db2.gz HXRYWRBEVBUICN-SDDRHHMPSA-N 1 2 240.347 0.822 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000603859217 350046102 /nfs/dbraw/zinc/04/61/02/350046102.db2.gz UGXFUKFFOSOXFL-VXNVDRBHSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC000603859217 350046106 /nfs/dbraw/zinc/04/61/06/350046106.db2.gz UGXFUKFFOSOXFL-VXNVDRBHSA-N 1 2 239.275 0.934 20 0 BCADLO CCc1c(C(=O)NCc2[nH]cc[nH+]2)cnn1C ZINC000603870804 350046925 /nfs/dbraw/zinc/04/69/25/350046925.db2.gz XRINAZGGKTZRIN-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881254 350047802 /nfs/dbraw/zinc/04/78/02/350047802.db2.gz ADRAIGJUSSWPLV-MRVPVSSYSA-N 1 2 246.270 0.797 20 0 BCADLO C[C@H](NC(N)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885415 350048715 /nfs/dbraw/zinc/04/87/15/350048715.db2.gz SKYWHPYGMBESHR-ZETCQYMHSA-N 1 2 247.258 0.330 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ncccc1O ZINC000128417695 191008709 /nfs/dbraw/zinc/00/87/09/191008709.db2.gz MDUSBDPBKBUIDM-MRVPVSSYSA-N 1 2 221.260 0.820 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ncccc1O ZINC000128417695 191008712 /nfs/dbraw/zinc/00/87/12/191008712.db2.gz MDUSBDPBKBUIDM-MRVPVSSYSA-N 1 2 221.260 0.820 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000278689036 180010571 /nfs/dbraw/zinc/01/05/71/180010571.db2.gz OLWYRYFSTXIEPH-VIFPVBQESA-N 1 2 235.291 0.678 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000278689036 180010574 /nfs/dbraw/zinc/01/05/74/180010574.db2.gz OLWYRYFSTXIEPH-VIFPVBQESA-N 1 2 235.291 0.678 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CCOC[C@H]1C ZINC000302442499 350091121 /nfs/dbraw/zinc/09/11/21/350091121.db2.gz UEGZSNJRMQCEOP-SFYZADRCSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CCOC[C@H]1C ZINC000302442499 350091123 /nfs/dbraw/zinc/09/11/23/350091123.db2.gz UEGZSNJRMQCEOP-SFYZADRCSA-N 1 2 238.291 0.904 20 0 BCADLO Cc1cncc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000088451076 191018900 /nfs/dbraw/zinc/01/89/00/191018900.db2.gz MLZNIPCSSDEWCM-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000340276083 180035265 /nfs/dbraw/zinc/03/52/65/180035265.db2.gz CCGZRHBQWLBXOA-VXNVDRBHSA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](CO)C2)no1 ZINC000340276083 180035268 /nfs/dbraw/zinc/03/52/68/180035268.db2.gz CCGZRHBQWLBXOA-VXNVDRBHSA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC000375755909 180043732 /nfs/dbraw/zinc/04/37/32/180043732.db2.gz GQRABMUJRZAKEU-VXNVDRBHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC000375755909 180043737 /nfs/dbraw/zinc/04/37/37/180043737.db2.gz GQRABMUJRZAKEU-VXNVDRBHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@H](CO)[C@@H]2CCCO2)no1 ZINC000352358432 180051241 /nfs/dbraw/zinc/05/12/41/180051241.db2.gz UXONJADWESMIJN-SFGNSQDASA-N 1 2 241.291 0.569 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000219361419 350123447 /nfs/dbraw/zinc/12/34/47/350123447.db2.gz KAHSAFXHELZZTQ-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000219361419 350123451 /nfs/dbraw/zinc/12/34/51/350123451.db2.gz KAHSAFXHELZZTQ-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccnn1C)C2 ZINC000329172107 180112079 /nfs/dbraw/zinc/11/20/79/180112079.db2.gz KWQIDQRUIIPQBR-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1ccnn1C)C2 ZINC000329172107 180112081 /nfs/dbraw/zinc/11/20/81/180112081.db2.gz KWQIDQRUIIPQBR-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](CCn1ccnc1)C2 ZINC000328599572 180112171 /nfs/dbraw/zinc/11/21/71/180112171.db2.gz CERXQEDKRWDXAH-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](CCn1ccnc1)C2 ZINC000328599572 180112173 /nfs/dbraw/zinc/11/21/73/180112173.db2.gz CERXQEDKRWDXAH-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1nc2n(n1)CCN(CCn1cc[nH+]c1)C2 ZINC000328599572 180112175 /nfs/dbraw/zinc/11/21/75/180112175.db2.gz CERXQEDKRWDXAH-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1c[nH+]c[nH]1)C2 ZINC000353668784 180113124 /nfs/dbraw/zinc/11/31/24/180113124.db2.gz ARUSENSQZCBOMN-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CO ZINC000270762601 180104525 /nfs/dbraw/zinc/10/45/25/180104525.db2.gz NBLMFLCDRMFPOX-UHFFFAOYSA-N 1 2 247.298 0.843 20 0 BCADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)CO ZINC000151944825 538064565 /nfs/dbraw/zinc/06/45/65/538064565.db2.gz CFHMFFNNHSKFSR-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000332282407 180143832 /nfs/dbraw/zinc/14/38/32/180143832.db2.gz RMYKHBJFPNNGCN-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000332282407 180143835 /nfs/dbraw/zinc/14/38/35/180143835.db2.gz RMYKHBJFPNNGCN-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000336452554 180118393 /nfs/dbraw/zinc/11/83/93/180118393.db2.gz BJIAQHYNOUICAQ-ZJUUUORDSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccncc1 ZINC000355180604 180119201 /nfs/dbraw/zinc/11/92/01/180119201.db2.gz IDGOHABZYVLJKG-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C(=O)c1cccn1C ZINC000354362685 180120776 /nfs/dbraw/zinc/12/07/76/180120776.db2.gz YBPJJYVZNNIXMZ-UHFFFAOYSA-N 1 2 246.270 0.556 20 0 BCADLO Cc1nc(N2CC[C@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000333463451 180193992 /nfs/dbraw/zinc/19/39/92/180193992.db2.gz MCIIVGHEJMEELX-VIFPVBQESA-N 1 2 230.275 0.897 20 0 BCADLO O=C(N[C@@H]1C[C@H]1C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637115562 350203806 /nfs/dbraw/zinc/20/38/06/350203806.db2.gz TYTFQYKEZZDSJO-ADEWGFFLSA-N 1 2 246.314 0.906 20 0 BCADLO Cc1nc(NCCCCS(N)(=O)=O)cc[nH+]1 ZINC000292771151 180197395 /nfs/dbraw/zinc/19/73/95/180197395.db2.gz LCYSNLORJUOVOX-UHFFFAOYSA-N 1 2 244.320 0.266 20 0 BCADLO Cc1nc(NC2CCS(=O)(=O)CC2)cc[nH+]1 ZINC000054935887 180198289 /nfs/dbraw/zinc/19/82/89/180198289.db2.gz AENISGSKFXJUNF-UHFFFAOYSA-N 1 2 241.316 0.774 20 0 BCADLO Cc1nc(NC[C@H](CO)[C@H]2CCOC2)cc[nH+]1 ZINC000281053195 180201096 /nfs/dbraw/zinc/20/10/96/180201096.db2.gz SGKFFNZPOSOXSO-WDEREUQCSA-N 1 2 237.303 0.842 20 0 BCADLO Cc1nc(NCCn2cncn2)cc[nH+]1 ZINC000266468877 180201630 /nfs/dbraw/zinc/20/16/30/180201630.db2.gz ZSWCMKXPSGDLHY-UHFFFAOYSA-N 1 2 204.237 0.489 20 0 BCADLO Cc1nc(N[C@@H](CO)[C@H]2CCCO2)cc[nH+]1 ZINC000309864651 180202722 /nfs/dbraw/zinc/20/27/22/180202722.db2.gz NZLBPZWBVVHQDL-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nccc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000054936241 180203332 /nfs/dbraw/zinc/20/33/32/180203332.db2.gz JTCXYDIAWUCQCA-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(N[C@H]2CCCNC2=O)cc[nH+]1 ZINC000054936462 180204803 /nfs/dbraw/zinc/20/48/03/180204803.db2.gz XDUMJFHEVAEYQH-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO Cc1nc(N[C@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000281580262 180205780 /nfs/dbraw/zinc/20/57/80/180205780.db2.gz FSVYCBNIZPHDEB-CBAPKCEASA-N 1 2 220.276 0.864 20 0 BCADLO Cc1nc(N[C@H](C)C(=O)N(C)C)cc[nH+]1 ZINC000054936171 180206342 /nfs/dbraw/zinc/20/63/42/180206342.db2.gz GMJHHLFKQJSPSV-SSDOTTSWSA-N 1 2 208.265 0.674 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000428308302 191081054 /nfs/dbraw/zinc/08/10/54/191081054.db2.gz ZOKAVILQCFGCDM-RKDXNWHRSA-N 1 2 224.308 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000428308302 191081056 /nfs/dbraw/zinc/08/10/56/191081056.db2.gz ZOKAVILQCFGCDM-RKDXNWHRSA-N 1 2 224.308 0.741 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC=CC1 ZINC000637157653 350224693 /nfs/dbraw/zinc/22/46/93/350224693.db2.gz ZEQLFUOXKCRZOU-SECBINFHSA-N 1 2 232.287 0.848 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC=CC1 ZINC000637157653 350224696 /nfs/dbraw/zinc/22/46/96/350224696.db2.gz ZEQLFUOXKCRZOU-SECBINFHSA-N 1 2 232.287 0.848 20 0 BCADLO Cc1[nH]c(CN2CC(CCO)C2)[nH+]c1C ZINC000628306641 350250886 /nfs/dbraw/zinc/25/08/86/350250886.db2.gz OEYJMWVVTNTUJO-UHFFFAOYSA-N 1 2 209.293 0.841 20 0 BCADLO Cc1nc(C[NH+]2CC(CCO)C2)[nH]c1C ZINC000628306641 350250888 /nfs/dbraw/zinc/25/08/88/350250888.db2.gz OEYJMWVVTNTUJO-UHFFFAOYSA-N 1 2 209.293 0.841 20 0 BCADLO CCNC(=O)C1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628306733 350252764 /nfs/dbraw/zinc/25/27/64/350252764.db2.gz SFIAEJOPDOGUGL-UHFFFAOYSA-N 1 2 236.319 0.594 20 0 BCADLO Cc1nccnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000357455212 180276366 /nfs/dbraw/zinc/27/63/66/180276366.db2.gz LYMAHLFWQLNALH-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1nccnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000357455212 180276368 /nfs/dbraw/zinc/27/63/68/180276368.db2.gz LYMAHLFWQLNALH-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000617955424 350265704 /nfs/dbraw/zinc/26/57/04/350265704.db2.gz WHVWLTIWNGHJGX-MGCOHNPYSA-N 1 2 237.303 0.944 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C[C@H](O)C1CC1 ZINC000305216763 490449582 /nfs/dbraw/zinc/44/95/82/490449582.db2.gz IKTKELOAJLSYFW-VIFPVBQESA-N 1 2 222.292 0.262 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C[C@H](O)C1CC1 ZINC000305216763 490449590 /nfs/dbraw/zinc/44/95/90/490449590.db2.gz IKTKELOAJLSYFW-VIFPVBQESA-N 1 2 222.292 0.262 20 0 BCADLO COC[C@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC000068891127 350299029 /nfs/dbraw/zinc/29/90/29/350299029.db2.gz PGOYXZCSWKTBNU-GFCCVEGCSA-N 1 2 228.336 0.021 20 0 BCADLO Cc1ncsc1C[NH+]1CCN(CCO)CC1 ZINC000124972883 180316737 /nfs/dbraw/zinc/31/67/37/180316737.db2.gz NTSYONPJWJVAPP-UHFFFAOYSA-N 1 2 241.360 0.561 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000178304227 180315183 /nfs/dbraw/zinc/31/51/83/180315183.db2.gz YUUAWWSFMJKQOT-MRVPVSSYSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000178304227 180315186 /nfs/dbraw/zinc/31/51/86/180315186.db2.gz YUUAWWSFMJKQOT-MRVPVSSYSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncoc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000329934931 180297945 /nfs/dbraw/zinc/29/79/45/180297945.db2.gz QSWWMUPJLMKACS-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO NC(=O)NCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606533217 350356050 /nfs/dbraw/zinc/35/60/50/350356050.db2.gz MLMDIKOHEXBZTB-UHFFFAOYSA-N 1 2 247.258 0.331 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637272406 350372478 /nfs/dbraw/zinc/37/24/78/350372478.db2.gz RPFBQWQGYMPOKI-RKDXNWHRSA-N 1 2 238.291 0.142 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2COc3ccccc3C2)n1 ZINC000328133826 350375808 /nfs/dbraw/zinc/37/58/08/350375808.db2.gz OTKOLCZRRUMGRD-NSHDSACASA-N 1 2 244.298 0.908 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)ncn1 ZINC000428378694 191100894 /nfs/dbraw/zinc/10/08/94/191100894.db2.gz AUAMAEYXCLDGBC-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)ncn1 ZINC000428378694 191100896 /nfs/dbraw/zinc/10/08/96/191100896.db2.gz AUAMAEYXCLDGBC-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2CCC3)C1 ZINC000617209456 350379601 /nfs/dbraw/zinc/37/96/01/350379601.db2.gz SLDAYPPAUACZLV-JFGNBEQYSA-N 1 2 224.304 0.376 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2CCC3)C1 ZINC000617209456 350379602 /nfs/dbraw/zinc/37/96/02/350379602.db2.gz SLDAYPPAUACZLV-JFGNBEQYSA-N 1 2 224.304 0.376 20 0 BCADLO Cc1ccc(NCC[NH+]2CCOCC2)nn1 ZINC000041045052 350408036 /nfs/dbraw/zinc/40/80/36/350408036.db2.gz YWBHWWFISLQKAO-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO O=C(NCC[NH+]1CCSCC1)C(F)(F)F ZINC000226225564 350408919 /nfs/dbraw/zinc/40/89/19/350408919.db2.gz GCGRCYOUVAHTDT-UHFFFAOYSA-N 1 2 242.266 0.714 20 0 BCADLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CCOC1 ZINC000336686246 350442302 /nfs/dbraw/zinc/44/23/02/350442302.db2.gz KYGVQVQMDQRIFF-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CCOC1 ZINC000336686246 350442306 /nfs/dbraw/zinc/44/23/06/350442306.db2.gz KYGVQVQMDQRIFF-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](CO)C1 ZINC000051886591 350543783 /nfs/dbraw/zinc/54/37/83/350543783.db2.gz ZEPVQMMAIQJJOT-QMMMGPOBSA-N 1 2 233.275 0.182 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025969 191109688 /nfs/dbraw/zinc/10/96/88/191109688.db2.gz WUTIVWWTOKHRFT-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025969 191109689 /nfs/dbraw/zinc/10/96/89/191109689.db2.gz WUTIVWWTOKHRFT-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000051102646 350604602 /nfs/dbraw/zinc/60/46/02/350604602.db2.gz GDOOOYOIRYCTTL-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000051102646 350604603 /nfs/dbraw/zinc/60/46/03/350604603.db2.gz GDOOOYOIRYCTTL-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443361 350584205 /nfs/dbraw/zinc/58/42/05/350584205.db2.gz XQGNFBLSJWWTMH-MXWKQRLJSA-N 1 2 241.335 0.509 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443361 350584208 /nfs/dbraw/zinc/58/42/08/350584208.db2.gz XQGNFBLSJWWTMH-MXWKQRLJSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC(C)(C)C1 ZINC000637443302 350584333 /nfs/dbraw/zinc/58/43/33/350584333.db2.gz XDYDCPBWZPXRFT-JTQLQIEISA-N 1 2 241.335 0.368 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC(C)(C)C1 ZINC000637443302 350584334 /nfs/dbraw/zinc/58/43/34/350584334.db2.gz XDYDCPBWZPXRFT-JTQLQIEISA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445907 350586786 /nfs/dbraw/zinc/58/67/86/350586786.db2.gz NDWGDKYKWHSKGZ-VHSXEESVSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@H]1CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445907 350586789 /nfs/dbraw/zinc/58/67/89/350586789.db2.gz NDWGDKYKWHSKGZ-VHSXEESVSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@@H]1CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445904 350587138 /nfs/dbraw/zinc/58/71/38/350587138.db2.gz NDWGDKYKWHSKGZ-NXEZZACHSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@@H]1CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445904 350587141 /nfs/dbraw/zinc/58/71/41/350587141.db2.gz NDWGDKYKWHSKGZ-NXEZZACHSA-N 1 2 227.308 0.121 20 0 BCADLO CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000637447040 350588047 /nfs/dbraw/zinc/58/80/47/350588047.db2.gz NROVFVWHNMFMSD-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000637447040 350588051 /nfs/dbraw/zinc/58/80/51/350588051.db2.gz NROVFVWHNMFMSD-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO Cc1ncc(C[NH2+]CC(=O)NC(C)C)o1 ZINC000397957291 362973612 /nfs/dbraw/zinc/97/36/12/362973612.db2.gz SKSSLOZMHYOCMA-UHFFFAOYSA-N 1 2 211.265 0.597 20 0 BCADLO C/C=C\CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000637483636 350642342 /nfs/dbraw/zinc/64/23/42/350642342.db2.gz PQELJWBMTRNWNY-IHWYPQMZSA-N 1 2 220.276 0.984 20 0 BCADLO CNC(=O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606904678 350627621 /nfs/dbraw/zinc/62/76/21/350627621.db2.gz OPJSMASWGOBBFR-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606904678 350627625 /nfs/dbraw/zinc/62/76/25/350627625.db2.gz OPJSMASWGOBBFR-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H](CO)C1CCC1 ZINC000617303286 350709303 /nfs/dbraw/zinc/70/93/03/350709303.db2.gz DUTCBGCGHSHVAV-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000624187629 350680488 /nfs/dbraw/zinc/68/04/88/350680488.db2.gz BYPIXLBATLHQHX-PSASIEDQSA-N 1 2 222.292 0.670 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000096867334 350684299 /nfs/dbraw/zinc/68/42/99/350684299.db2.gz ZPTXHAFLBRFQOC-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000096867334 350684303 /nfs/dbraw/zinc/68/43/03/350684303.db2.gz ZPTXHAFLBRFQOC-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2cnns2)CCC1=O ZINC000563362436 350824714 /nfs/dbraw/zinc/82/47/14/350824714.db2.gz CLMSUGUIHGAZQI-QMMMGPOBSA-N 1 2 240.332 0.591 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2cnns2)CCC1=O ZINC000563362436 350824718 /nfs/dbraw/zinc/82/47/18/350824718.db2.gz CLMSUGUIHGAZQI-QMMMGPOBSA-N 1 2 240.332 0.591 20 0 BCADLO CC[N@H+](Cc1ncnn1CC(F)F)[C@H](C)CO ZINC000339627943 350769544 /nfs/dbraw/zinc/76/95/44/350769544.db2.gz NXHFDPUPUHQCLW-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO CC[N@@H+](Cc1ncnn1CC(F)F)[C@H](C)CO ZINC000339627943 350769546 /nfs/dbraw/zinc/76/95/46/350769546.db2.gz NXHFDPUPUHQCLW-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO CCn1ncnc1C[N@H+](CC)[C@@H](C)CO ZINC000339632313 350770431 /nfs/dbraw/zinc/77/04/31/350770431.db2.gz BMDLRBNLBNQOAW-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)[C@@H](C)CO ZINC000339632313 350770434 /nfs/dbraw/zinc/77/04/34/350770434.db2.gz BMDLRBNLBNQOAW-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC[N@H+](Cc1nc(COC)no1)[C@@H](C)CO ZINC000339634132 350770557 /nfs/dbraw/zinc/77/05/57/350770557.db2.gz MCMYFDUCDMSVTD-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@@H+](Cc1nc(COC)no1)[C@@H](C)CO ZINC000339634132 350770560 /nfs/dbraw/zinc/77/05/60/350770560.db2.gz MCMYFDUCDMSVTD-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@H](C)CO ZINC000339634127 350770779 /nfs/dbraw/zinc/77/07/79/350770779.db2.gz MABXQBADSIIMBO-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@H](C)CO ZINC000339634127 350770782 /nfs/dbraw/zinc/77/07/82/350770782.db2.gz MABXQBADSIIMBO-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C)CC2 ZINC000623738540 350837348 /nfs/dbraw/zinc/83/73/48/350837348.db2.gz RGWHRWLIJXQHOH-VIFPVBQESA-N 1 2 207.277 0.842 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](CO)OC(C)(C)C2)[nH+]1 ZINC000628315819 350917458 /nfs/dbraw/zinc/91/74/58/350917458.db2.gz XUCCRBWIRPHDEN-JTQLQIEISA-N 1 2 239.319 0.690 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628315315 350877498 /nfs/dbraw/zinc/87/74/98/350877498.db2.gz HERADTUMWCLMDI-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628315315 350877501 /nfs/dbraw/zinc/87/75/01/350877501.db2.gz HERADTUMWCLMDI-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CCOC(=O)[C@@H](N)C(=O)Nc1cc[nH+]cc1C ZINC000224118225 358458763 /nfs/dbraw/zinc/45/87/63/358458763.db2.gz GJYNLLZMYFXOIW-VIFPVBQESA-N 1 2 237.259 0.219 20 0 BCADLO Cc1ocnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000358123583 180548216 /nfs/dbraw/zinc/54/82/16/180548216.db2.gz MYRJRGZAKBWAII-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CCNC(=O)CSCC[NH+]1CCOCC1 ZINC000041366063 350948352 /nfs/dbraw/zinc/94/83/52/350948352.db2.gz HQUIQHJJKQJCSF-UHFFFAOYSA-N 1 2 232.349 0.188 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000607153841 351030935 /nfs/dbraw/zinc/03/09/35/351030935.db2.gz XEQKQTFZABATNM-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCN(C)C(=O)C1 ZINC000607153841 351030939 /nfs/dbraw/zinc/03/09/39/351030939.db2.gz XEQKQTFZABATNM-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO FC(F)Cn1cc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398355210 351049202 /nfs/dbraw/zinc/04/92/02/351049202.db2.gz HOMMQAAOZZTTFV-UHFFFAOYSA-N 1 2 242.233 0.556 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000052635233 351062815 /nfs/dbraw/zinc/06/28/15/351062815.db2.gz WGKNVIJQSCXQKV-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC=CCC1 ZINC000052893769 351077957 /nfs/dbraw/zinc/07/79/57/351077957.db2.gz MXQXETGRGIHLMK-LBPRGKRZSA-N 1 2 238.331 0.791 20 0 BCADLO CCOc1cccc(C[NH2+]Cc2cnn[nH]2)n1 ZINC000623577980 363009653 /nfs/dbraw/zinc/00/96/53/363009653.db2.gz PLMAYGPXBKDGHR-UHFFFAOYSA-N 1 2 233.275 0.888 20 0 BCADLO Cc1ncccc1C[NH2+]Cc1cnn[nH]1 ZINC000623577781 363009820 /nfs/dbraw/zinc/00/98/20/363009820.db2.gz FCHDJGCYPZYABK-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO Cc1cnccc1C[NH2+]Cc1cnn[nH]1 ZINC000398428011 351150574 /nfs/dbraw/zinc/15/05/74/351150574.db2.gz YNFRREKMUOVGPU-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO OCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000616645977 351169809 /nfs/dbraw/zinc/16/98/09/351169809.db2.gz VVBVQNCTTBUWOO-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000616645977 351169810 /nfs/dbraw/zinc/16/98/10/351169810.db2.gz VVBVQNCTTBUWOO-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CCC1 ZINC000623583904 363017233 /nfs/dbraw/zinc/01/72/33/363017233.db2.gz UDKNYWZJYUTGJI-JTQLQIEISA-N 1 2 227.308 0.169 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CCC1 ZINC000623583904 363017235 /nfs/dbraw/zinc/01/72/35/363017235.db2.gz UDKNYWZJYUTGJI-JTQLQIEISA-N 1 2 227.308 0.169 20 0 BCADLO CCn1nncc1C[NH2+]Cc1cncnc1OC ZINC000623584211 363018006 /nfs/dbraw/zinc/01/80/06/363018006.db2.gz QPWDQQXXNLLTJU-UHFFFAOYSA-N 1 2 248.290 0.386 20 0 BCADLO Cn1cccc(C(=O)NCCn2cc[nH+]c2)c1=O ZINC000355572189 191133053 /nfs/dbraw/zinc/13/30/53/191133053.db2.gz SWTPTHGMPMNYHX-UHFFFAOYSA-N 1 2 246.270 0.012 20 0 BCADLO Cc1[nH]c(CN(C)C[C@H]2COCCO2)[nH+]c1C ZINC000628338775 351285321 /nfs/dbraw/zinc/28/53/21/351285321.db2.gz VQZQZQVJTZCRBK-NSHDSACASA-N 1 2 239.319 0.874 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H]2COCCO2)[nH]c1C ZINC000628338775 351285325 /nfs/dbraw/zinc/28/53/25/351285325.db2.gz VQZQZQVJTZCRBK-NSHDSACASA-N 1 2 239.319 0.874 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H]2COCCO2)[nH]c1C ZINC000628338775 351285328 /nfs/dbraw/zinc/28/53/28/351285328.db2.gz VQZQZQVJTZCRBK-NSHDSACASA-N 1 2 239.319 0.874 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628352510 351316258 /nfs/dbraw/zinc/31/62/58/351316258.db2.gz LLODHDUVXBKUDX-UHFFFAOYSA-N 1 2 223.276 0.730 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628352510 351316264 /nfs/dbraw/zinc/31/62/64/351316264.db2.gz LLODHDUVXBKUDX-UHFFFAOYSA-N 1 2 223.276 0.730 20 0 BCADLO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000306965567 351385475 /nfs/dbraw/zinc/38/54/75/351385475.db2.gz KFLNCSMXGKVTBT-BWZBUEFSSA-N 1 2 201.291 0.643 20 0 BCADLO CC(C)(NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000571648753 351396314 /nfs/dbraw/zinc/39/63/14/351396314.db2.gz FQPFKYMAEQRRMV-UHFFFAOYSA-N 1 2 219.248 0.798 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000271074258 351399556 /nfs/dbraw/zinc/39/95/56/351399556.db2.gz QGDUSVVXOADGNA-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000271074258 351399559 /nfs/dbraw/zinc/39/95/59/351399559.db2.gz QGDUSVVXOADGNA-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000268582342 351337409 /nfs/dbraw/zinc/33/74/09/351337409.db2.gz TXTKZEDLRUGZBU-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000268582342 351337412 /nfs/dbraw/zinc/33/74/12/351337412.db2.gz TXTKZEDLRUGZBU-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000307141565 351499870 /nfs/dbraw/zinc/49/98/70/351499870.db2.gz JQXXGHNTGQXKJT-UHFFFAOYSA-N 1 2 223.276 0.749 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000307141565 351499875 /nfs/dbraw/zinc/49/98/75/351499875.db2.gz JQXXGHNTGQXKJT-UHFFFAOYSA-N 1 2 223.276 0.749 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCOC[C@@H]2C)C1 ZINC000058755432 351473386 /nfs/dbraw/zinc/47/33/86/351473386.db2.gz RDKCHIKCHIXIAA-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCOC[C@@H]2C)C1 ZINC000058755432 351473389 /nfs/dbraw/zinc/47/33/89/351473389.db2.gz RDKCHIKCHIXIAA-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[N@H+](CCc2ccccn2)CC1=O ZINC000273528685 351534055 /nfs/dbraw/zinc/53/40/55/351534055.db2.gz RBDYKGBLEMDDSV-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CCN1CC[N@@H+](CCc2ccccn2)CC1=O ZINC000273528685 351534056 /nfs/dbraw/zinc/53/40/56/351534056.db2.gz RBDYKGBLEMDDSV-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CCN1CC[N@H+](CCn2cccn2)CC1=O ZINC000273558949 351535984 /nfs/dbraw/zinc/53/59/84/351535984.db2.gz WKABLKGEJSGJGP-UHFFFAOYSA-N 1 2 222.292 0.047 20 0 BCADLO CCN1CC[N@@H+](CCn2cccn2)CC1=O ZINC000273558949 351535987 /nfs/dbraw/zinc/53/59/87/351535987.db2.gz WKABLKGEJSGJGP-UHFFFAOYSA-N 1 2 222.292 0.047 20 0 BCADLO Cc1nc(N2C[C@@H](CO)OC[C@@H]2C)cc[nH+]1 ZINC000088093923 351567049 /nfs/dbraw/zinc/56/70/49/351567049.db2.gz SBVHKMPJQCDVAU-WPRPVWTQSA-N 1 2 223.276 0.371 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)C2(CO)CC2)c[nH+]1 ZINC000617904377 351597736 /nfs/dbraw/zinc/59/77/36/351597736.db2.gz IHKVQXZUAPYWDT-SSDOTTSWSA-N 1 2 223.276 0.609 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCN1CCCC1=O ZINC000405348926 363077470 /nfs/dbraw/zinc/07/74/70/363077470.db2.gz XWRJCDJSCYZYCR-UHFFFAOYSA-N 1 2 222.292 0.430 20 0 BCADLO C[C@@H](CC(=O)N(C)CCCO)n1cc[nH+]c1 ZINC000577737448 366048091 /nfs/dbraw/zinc/04/80/91/366048091.db2.gz SHBGDBDGLHYKQB-JTQLQIEISA-N 1 2 225.292 0.675 20 0 BCADLO Cc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)no1 ZINC000577743126 366049180 /nfs/dbraw/zinc/04/91/80/366049180.db2.gz OBBNJCGBYIWEME-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCNC(=O)C1 ZINC000637847831 351703717 /nfs/dbraw/zinc/70/37/17/351703717.db2.gz KVNKKCDYPPVCAB-NSHDSACASA-N 1 2 234.303 0.303 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637873262 351739687 /nfs/dbraw/zinc/73/96/87/351739687.db2.gz JSHYDGAVCNJOTK-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO COc1cccc(C)c1C[N@@H+]1CCNC(=O)C1 ZINC000637848133 351708272 /nfs/dbraw/zinc/70/82/72/351708272.db2.gz MHTBERAHOXJNCW-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO COc1cccc(C)c1C[N@H+]1CCNC(=O)C1 ZINC000637848133 351708273 /nfs/dbraw/zinc/70/82/73/351708273.db2.gz MHTBERAHOXJNCW-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO CN(CC(N)=O)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000637894530 351766760 /nfs/dbraw/zinc/76/67/60/351766760.db2.gz VATQASOHWPNWFO-JTQLQIEISA-N 1 2 222.292 0.288 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000124650520 191143050 /nfs/dbraw/zinc/14/30/50/191143050.db2.gz NIPHCYSQVQTWSE-LLVKDONJSA-N 1 2 237.307 0.355 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000124650520 191143052 /nfs/dbraw/zinc/14/30/52/191143052.db2.gz NIPHCYSQVQTWSE-LLVKDONJSA-N 1 2 237.307 0.355 20 0 BCADLO CO[C@]1(C[N@H+](C)CC(F)F)CCOC1 ZINC000637974137 351849621 /nfs/dbraw/zinc/84/96/21/351849621.db2.gz QLLFIVIRTKRFEC-VIFPVBQESA-N 1 2 209.236 0.989 20 0 BCADLO CO[C@]1(C[N@@H+](C)CC(F)F)CCOC1 ZINC000637974137 351849622 /nfs/dbraw/zinc/84/96/22/351849622.db2.gz QLLFIVIRTKRFEC-VIFPVBQESA-N 1 2 209.236 0.989 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccncc2O)C1 ZINC000124994849 191143750 /nfs/dbraw/zinc/14/37/50/191143750.db2.gz HYOZLEMMAVLDJI-JTQLQIEISA-N 1 2 237.259 0.056 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccncc2O)C1 ZINC000124994849 191143754 /nfs/dbraw/zinc/14/37/54/191143754.db2.gz HYOZLEMMAVLDJI-JTQLQIEISA-N 1 2 237.259 0.056 20 0 BCADLO CC[N@H+](Cc1cncn1C)[C@H]1CCNC1=O ZINC000281973660 351919367 /nfs/dbraw/zinc/91/93/67/351919367.db2.gz VUWLVCDAPCZMKT-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1cncn1C)[C@H]1CCNC1=O ZINC000281973660 351919368 /nfs/dbraw/zinc/91/93/68/351919368.db2.gz VUWLVCDAPCZMKT-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)Cc1ccns1 ZINC000638085605 351962261 /nfs/dbraw/zinc/96/22/61/351962261.db2.gz SBWACAGTQKHTSL-UHFFFAOYSA-N 1 2 249.361 0.124 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccns1 ZINC000638085605 351962264 /nfs/dbraw/zinc/96/22/64/351962264.db2.gz SBWACAGTQKHTSL-UHFFFAOYSA-N 1 2 249.361 0.124 20 0 BCADLO CN1CC[N@H+](Cc2c[nH]c3ncncc23)CC1=O ZINC000638090192 351968578 /nfs/dbraw/zinc/96/85/78/351968578.db2.gz VMOCMKZOVRFJAA-UHFFFAOYSA-N 1 2 245.286 0.184 20 0 BCADLO CN1CC[N@@H+](Cc2c[nH]c3ncncc23)CC1=O ZINC000638090192 351968580 /nfs/dbraw/zinc/96/85/80/351968580.db2.gz VMOCMKZOVRFJAA-UHFFFAOYSA-N 1 2 245.286 0.184 20 0 BCADLO C[N@H+](CCC[C@@H]1CCO1)Cc1nnc[nH]1 ZINC000638096600 351977046 /nfs/dbraw/zinc/97/70/46/351977046.db2.gz KGDVJFPICSTOKT-SECBINFHSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CCC[C@@H]1CCO1)Cc1nnc[nH]1 ZINC000638096600 351977049 /nfs/dbraw/zinc/97/70/49/351977049.db2.gz KGDVJFPICSTOKT-SECBINFHSA-N 1 2 210.281 0.806 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000638132289 352000306 /nfs/dbraw/zinc/00/03/06/352000306.db2.gz CYXHUQVXJBYHSK-NSHDSACASA-N 1 2 249.314 0.888 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000638132289 352000309 /nfs/dbraw/zinc/00/03/09/352000309.db2.gz CYXHUQVXJBYHSK-NSHDSACASA-N 1 2 249.314 0.888 20 0 BCADLO CC(C)N(CCO)c1[nH+]cnc2c1cnn2C ZINC000040452570 187600970 /nfs/dbraw/zinc/60/09/70/187600970.db2.gz FYYFCZKCJAVFDD-UHFFFAOYSA-N 1 2 235.291 0.570 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc[nH]2)[C@@H](C)C1 ZINC000288430204 352149519 /nfs/dbraw/zinc/14/95/19/352149519.db2.gz MOQJKTJCHZRYRF-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc[nH]2)[C@@H](C)C1 ZINC000288430204 352149523 /nfs/dbraw/zinc/14/95/23/352149523.db2.gz MOQJKTJCHZRYRF-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccco1 ZINC000336005423 538102261 /nfs/dbraw/zinc/10/22/61/538102261.db2.gz AFZGAZZLXUOVQF-UHFFFAOYSA-N 1 2 241.272 0.492 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCC[C@H]1CO ZINC000083995457 352206799 /nfs/dbraw/zinc/20/67/99/352206799.db2.gz OYVABGDHDABATR-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCC[C@H]1CO ZINC000083995457 352206801 /nfs/dbraw/zinc/20/68/01/352206801.db2.gz OYVABGDHDABATR-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+](CCC)CCO ZINC000083995482 352207465 /nfs/dbraw/zinc/20/74/65/352207465.db2.gz USQRWOHDTQPIFG-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+](CCC)CCO ZINC000083995482 352207470 /nfs/dbraw/zinc/20/74/70/352207470.db2.gz USQRWOHDTQPIFG-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H]1CO ZINC000083995493 352207702 /nfs/dbraw/zinc/20/77/02/352207702.db2.gz CCMGEHDOIQGOAJ-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H]1CO ZINC000083995493 352207703 /nfs/dbraw/zinc/20/77/03/352207703.db2.gz CCMGEHDOIQGOAJ-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](O)C1CC1)CC2 ZINC000613401688 363172188 /nfs/dbraw/zinc/17/21/88/363172188.db2.gz WGQWBZAHTRGMCM-LLVKDONJSA-N 1 2 235.287 0.305 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CC(=O)N(C)C2)o1 ZINC000638477978 352286894 /nfs/dbraw/zinc/28/68/94/352286894.db2.gz UNCAHVSQOMESLO-QMMMGPOBSA-N 1 2 209.249 0.303 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)CC1CC1 ZINC000619035677 363183361 /nfs/dbraw/zinc/18/33/61/363183361.db2.gz LVSRIHQCHMVSDE-NSHDSACASA-N 1 2 237.303 0.408 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)CC1CC1 ZINC000619035676 363183448 /nfs/dbraw/zinc/18/34/48/363183448.db2.gz LVSRIHQCHMVSDE-LLVKDONJSA-N 1 2 237.303 0.408 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000336065250 538102859 /nfs/dbraw/zinc/10/28/59/538102859.db2.gz NWEKMWPLQQNMIR-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)CO1 ZINC000336065250 538102861 /nfs/dbraw/zinc/10/28/61/538102861.db2.gz NWEKMWPLQQNMIR-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO CC(=O)CCCC(=O)NCCn1cc[nH+]c1 ZINC000299246898 187701924 /nfs/dbraw/zinc/70/19/24/187701924.db2.gz CUPKLYRCXLDJRZ-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000411666410 191202029 /nfs/dbraw/zinc/20/20/29/191202029.db2.gz HVNCVMXKTNMYRQ-VXNVDRBHSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000411666410 191202032 /nfs/dbraw/zinc/20/20/32/191202032.db2.gz HVNCVMXKTNMYRQ-VXNVDRBHSA-N 1 2 224.308 0.877 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000252871195 538103470 /nfs/dbraw/zinc/10/34/70/538103470.db2.gz ONXKREIBYLLPQF-LPEHRKFASA-N 1 2 237.303 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000252871195 538103473 /nfs/dbraw/zinc/10/34/73/538103473.db2.gz ONXKREIBYLLPQF-LPEHRKFASA-N 1 2 237.303 0.835 20 0 BCADLO CCc1ncncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000607948463 352451890 /nfs/dbraw/zinc/45/18/90/352451890.db2.gz CJLRDJWINQDAOC-UHFFFAOYSA-N 1 2 231.259 0.692 20 0 BCADLO CCc1ncncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000607948463 352451893 /nfs/dbraw/zinc/45/18/93/352451893.db2.gz CJLRDJWINQDAOC-UHFFFAOYSA-N 1 2 231.259 0.692 20 0 BCADLO CCc1ncncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000607948208 352453334 /nfs/dbraw/zinc/45/33/34/352453334.db2.gz NUELXPGKBPFKOS-UHFFFAOYSA-N 1 2 245.286 0.735 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC1CCC1 ZINC000122935601 180745103 /nfs/dbraw/zinc/74/51/03/180745103.db2.gz FZTBUEQJFDGZRN-UHFFFAOYSA-N 1 2 208.265 0.772 20 0 BCADLO CC1(C)COCCN1CC[NH+]1CCOCC1 ZINC000340682559 352613733 /nfs/dbraw/zinc/61/37/33/352613733.db2.gz MAEVOJJKCOQEQH-UHFFFAOYSA-N 1 2 228.336 0.429 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CCCO ZINC000300875535 352577340 /nfs/dbraw/zinc/57/73/40/352577340.db2.gz YDBWBZZHKCSOAQ-UHFFFAOYSA-N 1 2 227.312 0.287 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CCCO ZINC000300875535 352577344 /nfs/dbraw/zinc/57/73/44/352577344.db2.gz YDBWBZZHKCSOAQ-UHFFFAOYSA-N 1 2 227.312 0.287 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CCC2)C1)NC1CC1 ZINC000411858667 191222750 /nfs/dbraw/zinc/22/27/50/191222750.db2.gz JJSXKYDJWLDVJC-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CCC2)C1)NC1CC1 ZINC000411858667 191222752 /nfs/dbraw/zinc/22/27/52/191222752.db2.gz JJSXKYDJWLDVJC-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411961465 191234189 /nfs/dbraw/zinc/23/41/89/191234189.db2.gz ZWJFLOJUQVYTGY-VXGBXAGGSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411961465 191234192 /nfs/dbraw/zinc/23/41/92/191234192.db2.gz ZWJFLOJUQVYTGY-VXGBXAGGSA-N 1 2 235.283 0.967 20 0 BCADLO COCC1(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000617470203 352717565 /nfs/dbraw/zinc/71/75/65/352717565.db2.gz MYJYPWDZPGSZGT-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO COCC1(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000617470261 352717689 /nfs/dbraw/zinc/71/76/89/352717689.db2.gz POOLPMVMUYJWSZ-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO COCC1(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000617470261 352717690 /nfs/dbraw/zinc/71/76/90/352717690.db2.gz POOLPMVMUYJWSZ-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCNC(=O)CN(C)c1cc[nH+]c(C)n1 ZINC000608080185 352725823 /nfs/dbraw/zinc/72/58/23/352725823.db2.gz LSDJKFSEXJEWQB-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](CC(C)C)C(N)=O ZINC000412054054 191246212 /nfs/dbraw/zinc/24/62/12/191246212.db2.gz HGKZGMJAMCCCCL-JTQLQIEISA-N 1 2 249.314 0.898 20 0 BCADLO Cn1cccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334212877 352810908 /nfs/dbraw/zinc/81/09/08/352810908.db2.gz POPQJKGRNSLALX-TXEJJXNPSA-N 1 2 222.288 0.625 20 0 BCADLO Cn1cccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334212877 352810910 /nfs/dbraw/zinc/81/09/10/352810910.db2.gz POPQJKGRNSLALX-TXEJJXNPSA-N 1 2 222.288 0.625 20 0 BCADLO COCCCOCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342825855 352826407 /nfs/dbraw/zinc/82/64/07/352826407.db2.gz QTGNCVCOEYVKLT-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CC(C)(C(=O)NC1CC1)[NH+]1CCOCC1 ZINC000334192064 352782736 /nfs/dbraw/zinc/78/27/36/352782736.db2.gz KCEPUHAQVHJDNF-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202571 352796154 /nfs/dbraw/zinc/79/61/54/352796154.db2.gz PUZIMXOZSUEIJU-DTWKUNHWSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc[nH]1 ZINC000334202571 352796157 /nfs/dbraw/zinc/79/61/57/352796157.db2.gz PUZIMXOZSUEIJU-DTWKUNHWSA-N 1 2 222.292 0.574 20 0 BCADLO CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000334209728 352806853 /nfs/dbraw/zinc/80/68/53/352806853.db2.gz DJJFUBOHEFSREV-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000334209728 352806857 /nfs/dbraw/zinc/80/68/57/352806857.db2.gz DJJFUBOHEFSREV-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412077730 191253619 /nfs/dbraw/zinc/25/36/19/191253619.db2.gz JOCKEUWPOCVIIY-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412077730 191253621 /nfs/dbraw/zinc/25/36/21/191253621.db2.gz JOCKEUWPOCVIIY-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)N1CCC1 ZINC000334239123 352858458 /nfs/dbraw/zinc/85/84/58/352858458.db2.gz NIVRTTOODQJLFR-GHMZBOCLSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)N1CCC1 ZINC000334239123 352858460 /nfs/dbraw/zinc/85/84/60/352858460.db2.gz NIVRTTOODQJLFR-GHMZBOCLSA-N 1 2 224.304 0.472 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412084505 191255420 /nfs/dbraw/zinc/25/54/20/191255420.db2.gz MMRHKHIRPNFKOK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412084505 191255422 /nfs/dbraw/zinc/25/54/22/191255422.db2.gz MMRHKHIRPNFKOK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO COC(=O)[C@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342857466 352877933 /nfs/dbraw/zinc/87/79/33/352877933.db2.gz MCAVFPWLVVZXMP-VIFPVBQESA-N 1 2 225.292 0.722 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000334256141 352866075 /nfs/dbraw/zinc/86/60/75/352866075.db2.gz OSGITKXMCKSIML-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000334256141 352866078 /nfs/dbraw/zinc/86/60/78/352866078.db2.gz OSGITKXMCKSIML-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@H]3C(=O)NC[C@H]32)n1C ZINC000342842134 352871166 /nfs/dbraw/zinc/87/11/66/352871166.db2.gz CFSGCIRMILUYSY-GHMZBOCLSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1C ZINC000342842134 352871171 /nfs/dbraw/zinc/87/11/71/352871171.db2.gz CFSGCIRMILUYSY-GHMZBOCLSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1C ZINC000342842134 352871173 /nfs/dbraw/zinc/87/11/73/352871173.db2.gz CFSGCIRMILUYSY-GHMZBOCLSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@@H]3C(=O)NC[C@H]32)n1C ZINC000342842139 352872183 /nfs/dbraw/zinc/87/21/83/352872183.db2.gz CFSGCIRMILUYSY-WDEREUQCSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@H]32)n1C ZINC000342842139 352872185 /nfs/dbraw/zinc/87/21/85/352872185.db2.gz CFSGCIRMILUYSY-WDEREUQCSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@H]32)n1C ZINC000342842139 352872190 /nfs/dbraw/zinc/87/21/90/352872190.db2.gz CFSGCIRMILUYSY-WDEREUQCSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cn1 ZINC000342855783 352876293 /nfs/dbraw/zinc/87/62/93/352876293.db2.gz IVXBGENXIKORKF-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412065476 191257945 /nfs/dbraw/zinc/25/79/45/191257945.db2.gz FSDAPWPFUYVSGW-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412065476 191257946 /nfs/dbraw/zinc/25/79/46/191257946.db2.gz FSDAPWPFUYVSGW-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)ccn1 ZINC000342865410 352882813 /nfs/dbraw/zinc/88/28/13/352882813.db2.gz UZJUHBJGPZQCJH-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)ccn1 ZINC000342865410 352882817 /nfs/dbraw/zinc/88/28/17/352882817.db2.gz UZJUHBJGPZQCJH-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO CC(C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000334251959 352888454 /nfs/dbraw/zinc/88/84/54/352888454.db2.gz VTDOMAPBDCSIHQ-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO Cn1ncc2c1nc(NCCCCO)[nH+]c2N ZINC000278711914 180821826 /nfs/dbraw/zinc/82/18/26/180821826.db2.gz JFYAYINQSUHTGO-UHFFFAOYSA-N 1 2 236.279 0.130 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334300539 352937474 /nfs/dbraw/zinc/93/74/74/352937474.db2.gz UUZXDSOBMSZOOR-KOLCDFICSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334300539 352937476 /nfs/dbraw/zinc/93/74/76/352937476.db2.gz UUZXDSOBMSZOOR-KOLCDFICSA-N 1 2 224.304 0.470 20 0 BCADLO COC1(C)CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000334312164 352943476 /nfs/dbraw/zinc/94/34/76/352943476.db2.gz SKNBEVSHNWUXNJ-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO CC(C)C1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000334315965 352946904 /nfs/dbraw/zinc/94/69/04/352946904.db2.gz ODEFHFASEPAJRX-JTQLQIEISA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)C1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000334315965 352946907 /nfs/dbraw/zinc/94/69/07/352946907.db2.gz ODEFHFASEPAJRX-JTQLQIEISA-N 1 2 226.320 0.622 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CF ZINC000334319456 352950551 /nfs/dbraw/zinc/95/05/51/352950551.db2.gz UFLNIKVWZFJRHZ-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CF ZINC000334319456 352950552 /nfs/dbraw/zinc/95/05/52/352950552.db2.gz UFLNIKVWZFJRHZ-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]1CF ZINC000334319458 352950690 /nfs/dbraw/zinc/95/06/90/352950690.db2.gz UFLNIKVWZFJRHZ-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]1CF ZINC000334319458 352950692 /nfs/dbraw/zinc/95/06/92/352950692.db2.gz UFLNIKVWZFJRHZ-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000334362997 353015397 /nfs/dbraw/zinc/01/53/97/353015397.db2.gz LDIBHHNLQXHXFP-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000334362997 353015402 /nfs/dbraw/zinc/01/54/02/353015402.db2.gz LDIBHHNLQXHXFP-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)N1C ZINC000334362931 353015490 /nfs/dbraw/zinc/01/54/90/353015490.db2.gz DPVJXKCBUFDIEY-AOOOYVTPSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)N1C ZINC000334362931 353015493 /nfs/dbraw/zinc/01/54/93/353015493.db2.gz DPVJXKCBUFDIEY-AOOOYVTPSA-N 1 2 213.325 0.099 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412103900 191262445 /nfs/dbraw/zinc/26/24/45/191262445.db2.gz ZORIVQICAVYJBB-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412103900 191262447 /nfs/dbraw/zinc/26/24/47/191262447.db2.gz ZORIVQICAVYJBB-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](F)[C@@H](F)C1 ZINC000294972610 180823215 /nfs/dbraw/zinc/82/32/15/180823215.db2.gz LBYKSQJDJCTJRO-OCAPTIKFSA-N 1 2 239.229 0.860 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCC2)C1 ZINC000334396544 353069553 /nfs/dbraw/zinc/06/95/53/353069553.db2.gz CCTSUGIQHLPFKU-JTQLQIEISA-N 1 2 200.257 0.653 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000334396544 353069555 /nfs/dbraw/zinc/06/95/55/353069555.db2.gz CCTSUGIQHLPFKU-JTQLQIEISA-N 1 2 200.257 0.653 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cc(C2CC2)no1 ZINC000638865004 353039312 /nfs/dbraw/zinc/03/93/12/353039312.db2.gz FJLYMKNSBKMYLW-UHFFFAOYSA-N 1 2 223.276 0.730 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1ncc(C)o1 ZINC000638873556 353043739 /nfs/dbraw/zinc/04/37/39/353043739.db2.gz JFJOAJKIVYAWKF-SNVBAGLBSA-N 1 2 214.265 0.470 20 0 BCADLO CC(C)(O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000108535356 187979691 /nfs/dbraw/zinc/97/96/91/187979691.db2.gz HWTLMEXTACXUPZ-UHFFFAOYSA-N 1 2 240.307 0.343 20 0 BCADLO C[N@H+](Cc1cccnc1)Cc1cnc(N)nc1N ZINC000638918867 353083789 /nfs/dbraw/zinc/08/37/89/353083789.db2.gz FYAVHMHLVDCFAJ-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO C[N@@H+](Cc1cccnc1)Cc1cnc(N)nc1N ZINC000638918867 353083793 /nfs/dbraw/zinc/08/37/93/353083793.db2.gz FYAVHMHLVDCFAJ-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C(F)(F)F ZINC000307589178 353086098 /nfs/dbraw/zinc/08/60/98/353086098.db2.gz ZSABWZHHTPVVQJ-UHFFFAOYSA-N 1 2 207.155 0.599 20 0 BCADLO O=S1(=O)CC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000334418156 353101368 /nfs/dbraw/zinc/10/13/68/353101368.db2.gz PIBVZQLDGXAOBW-GXSJLCMTSA-N 1 2 241.312 0.899 20 0 BCADLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000334418156 353101370 /nfs/dbraw/zinc/10/13/70/353101370.db2.gz PIBVZQLDGXAOBW-GXSJLCMTSA-N 1 2 241.312 0.899 20 0 BCADLO CCn1nccc1C(=O)NCCCn1cc[nH+]c1 ZINC000027938747 188010594 /nfs/dbraw/zinc/01/05/94/188010594.db2.gz PVZJHLNDZQTJFB-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO CC(C)[N@H+](Cc1nnn(C)n1)C1CCC1 ZINC000194438067 188005319 /nfs/dbraw/zinc/00/53/19/188005319.db2.gz ZBYJGMKDUSMQSN-UHFFFAOYSA-N 1 2 209.297 0.973 20 0 BCADLO CC(C)[N@@H+](Cc1nnn(C)n1)C1CCC1 ZINC000194438067 188005321 /nfs/dbraw/zinc/00/53/21/188005321.db2.gz ZBYJGMKDUSMQSN-UHFFFAOYSA-N 1 2 209.297 0.973 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[C@@H]1O ZINC000341802088 188044390 /nfs/dbraw/zinc/04/43/90/188044390.db2.gz KOSSBLDWXDDXBQ-UWVGGRQHSA-N 1 2 237.303 0.714 20 0 BCADLO Cc1cnc(C[NH+](CCO)CCO)s1 ZINC000180472363 538111786 /nfs/dbraw/zinc/11/17/86/538111786.db2.gz NLNUDUDGOYJBHS-UHFFFAOYSA-N 1 2 216.306 0.238 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000083970898 538112623 /nfs/dbraw/zinc/11/26/23/538112623.db2.gz JNHAETKURCBSIT-SECBINFHSA-N 1 2 221.308 0.141 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](N)C(F)(F)F ZINC000639017592 353271606 /nfs/dbraw/zinc/27/16/06/353271606.db2.gz WZQRWTWFKMYHPM-ZCFIWIBFSA-N 1 2 236.197 0.258 20 0 BCADLO CCCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000071912656 353272649 /nfs/dbraw/zinc/27/26/49/353272649.db2.gz TUEWHSAIGZPDFU-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CF ZINC000360592980 188242753 /nfs/dbraw/zinc/24/27/53/188242753.db2.gz DQMBIXAVJRJJNZ-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CF ZINC000360592980 188242755 /nfs/dbraw/zinc/24/27/55/188242755.db2.gz DQMBIXAVJRJJNZ-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375334500 188250065 /nfs/dbraw/zinc/25/00/65/188250065.db2.gz SQNVRTYXODPBCC-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375334500 188250067 /nfs/dbraw/zinc/25/00/67/188250067.db2.gz SQNVRTYXODPBCC-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO CO[C@@H](C[NH+]1CC(F)C1)[C@H]1CCOC1 ZINC000639038079 353310942 /nfs/dbraw/zinc/31/09/42/353310942.db2.gz KXEDABSNHMDZGL-WPRPVWTQSA-N 1 2 203.257 0.692 20 0 BCADLO CCN1CC[N@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000639045414 353333967 /nfs/dbraw/zinc/33/39/67/353333967.db2.gz KQHSSRZMPMMGSK-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CCN1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000639045414 353333969 /nfs/dbraw/zinc/33/39/69/353333969.db2.gz KQHSSRZMPMMGSK-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1CC ZINC000076418285 353336300 /nfs/dbraw/zinc/33/63/00/353336300.db2.gz SCQXRHOLPNPEBC-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO C[N@H+](Cc1ccncc1)Cc1cnc(N)nc1N ZINC000639041554 353319207 /nfs/dbraw/zinc/31/92/07/353319207.db2.gz WHLADWKXROYQRY-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO C[N@@H+](Cc1ccncc1)Cc1cnc(N)nc1N ZINC000639041554 353319208 /nfs/dbraw/zinc/31/92/08/353319208.db2.gz WHLADWKXROYQRY-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO CCCCCNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563708589 353324956 /nfs/dbraw/zinc/32/49/56/353324956.db2.gz ONZZNGKQGBRFJA-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO CC(C)N(CCS(C)(=O)=O)Cc1c[nH+]c[nH]1 ZINC000093707777 188319376 /nfs/dbraw/zinc/31/93/76/188319376.db2.gz YVJWAJMDTLHXBY-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO CC(C)N(CCS(C)(=O)=O)Cc1c[nH]c[nH+]1 ZINC000093707777 188319378 /nfs/dbraw/zinc/31/93/78/188319378.db2.gz YVJWAJMDTLHXBY-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO C(C[NH+]1CCOCC1)OC[C@@H]1CCCO1 ZINC000152083578 188325394 /nfs/dbraw/zinc/32/53/94/188325394.db2.gz SYRAPIUZSHUBDT-NSHDSACASA-N 1 2 215.293 0.514 20 0 BCADLO C[C@H](Cc1cnccn1)[NH2+]CC(F)(F)CO ZINC000639055755 353359354 /nfs/dbraw/zinc/35/93/54/353359354.db2.gz YCZOXQXDCJLLQI-MRVPVSSYSA-N 1 2 231.246 0.625 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)C(=O)N1 ZINC000577861606 366088145 /nfs/dbraw/zinc/08/81/45/366088145.db2.gz GMRCTRSNSVQBLQ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)C(=O)N1 ZINC000577861606 366088148 /nfs/dbraw/zinc/08/81/48/366088148.db2.gz GMRCTRSNSVQBLQ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO CCc1nnc(C[NH2+][C@](C)(CC)C(N)=O)n1C ZINC000351269253 133967264 /nfs/dbraw/zinc/96/72/64/133967264.db2.gz LVJKBZXLJUHXEL-LLVKDONJSA-N 1 2 239.323 0.121 20 0 BCADLO C([NH2+][C@H]1CCOC1)c1noc(C2CC2)n1 ZINC000308847311 188342031 /nfs/dbraw/zinc/34/20/31/188342031.db2.gz MUNMTHDHXWTCDD-QMMMGPOBSA-N 1 2 209.249 0.826 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000309854475 188346163 /nfs/dbraw/zinc/34/61/63/188346163.db2.gz JXVAEKWLFQTFJH-UHFFFAOYSA-N 1 2 222.292 0.606 20 0 BCADLO CC(C)[C@H](O)C[N@H+](CCO)CC(F)F ZINC000300907044 188348897 /nfs/dbraw/zinc/34/88/97/188348897.db2.gz RCWLKDVIUXKPRG-MRVPVSSYSA-N 1 2 211.252 0.563 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](CCO)CC(F)F ZINC000300907044 188348899 /nfs/dbraw/zinc/34/88/99/188348899.db2.gz RCWLKDVIUXKPRG-MRVPVSSYSA-N 1 2 211.252 0.563 20 0 BCADLO C=Cn1cc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000193618792 188351709 /nfs/dbraw/zinc/35/17/09/188351709.db2.gz YJCRPBLROSSVFI-UHFFFAOYSA-N 1 2 222.292 0.679 20 0 BCADLO C=Cn1cc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000193618792 188351710 /nfs/dbraw/zinc/35/17/10/188351710.db2.gz YJCRPBLROSSVFI-UHFFFAOYSA-N 1 2 222.292 0.679 20 0 BCADLO Oc1cccnc1C[NH2+]Cc1csnn1 ZINC000336651776 188358254 /nfs/dbraw/zinc/35/82/54/188358254.db2.gz XCQXTABGECAYHT-UHFFFAOYSA-N 1 2 222.273 0.929 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@@H]1CCC(=O)N1 ZINC000223242247 353400943 /nfs/dbraw/zinc/40/09/43/353400943.db2.gz KSBOEQYCMZMSTQ-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@@H]1CCC(=O)N1 ZINC000223242247 353400946 /nfs/dbraw/zinc/40/09/46/353400946.db2.gz KSBOEQYCMZMSTQ-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000338371919 188366182 /nfs/dbraw/zinc/36/61/82/188366182.db2.gz XJESWQJKCJIZHQ-SNVBAGLBSA-N 1 2 238.335 0.847 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000338371919 188366184 /nfs/dbraw/zinc/36/61/84/188366184.db2.gz XJESWQJKCJIZHQ-SNVBAGLBSA-N 1 2 238.335 0.847 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccnn2C)[C@H](C)C1 ZINC000270985537 188376026 /nfs/dbraw/zinc/37/60/26/188376026.db2.gz SOXFFWCAHWCWAK-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccnn2C)[C@H](C)C1 ZINC000270985537 188376028 /nfs/dbraw/zinc/37/60/28/188376028.db2.gz SOXFFWCAHWCWAK-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO COc1ncccc1C[NH2+]CN1CCC(=O)CC1 ZINC000275834170 188379674 /nfs/dbraw/zinc/37/96/74/188379674.db2.gz SWROQLQJONYDKW-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@](O)(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000285867860 188386290 /nfs/dbraw/zinc/38/62/90/188386290.db2.gz CLIXUYYJWIRQMH-LLVKDONJSA-N 1 2 223.276 0.160 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cncs2)C1 ZINC000296958098 188394950 /nfs/dbraw/zinc/39/49/50/188394950.db2.gz CTCBPDLFPFPTCY-UHFFFAOYSA-N 1 2 225.317 0.966 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000340582825 188395330 /nfs/dbraw/zinc/39/53/30/188395330.db2.gz CQIQGCKPZZYHBB-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000340582825 188395331 /nfs/dbraw/zinc/39/53/31/188395331.db2.gz CQIQGCKPZZYHBB-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCCC(C)(C)O ZINC000330459466 188399710 /nfs/dbraw/zinc/39/97/10/188399710.db2.gz PYWKUZCZHMJNPO-UHFFFAOYSA-N 1 2 239.319 0.630 20 0 BCADLO COC1(C)C[NH+](Cc2c(C)cnn2C)C1 ZINC000334510421 353458029 /nfs/dbraw/zinc/45/80/29/353458029.db2.gz CDGZUUACQJGDCX-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000584344564 353479874 /nfs/dbraw/zinc/47/98/74/353479874.db2.gz CPNVYJLSZYTDOZ-APPZFPTMSA-N 1 2 209.249 0.625 20 0 BCADLO CC[N@H+](CC(N)=O)[C@H](C)c1cnc(C)nc1C ZINC000639099650 353510981 /nfs/dbraw/zinc/51/09/81/353510981.db2.gz WGBNXZUFNUOXFL-SECBINFHSA-N 1 2 236.319 0.962 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@H](C)c1cnc(C)nc1C ZINC000639099650 353510982 /nfs/dbraw/zinc/51/09/82/353510982.db2.gz WGBNXZUFNUOXFL-SECBINFHSA-N 1 2 236.319 0.962 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C(C)(C)CO ZINC000134847248 353512474 /nfs/dbraw/zinc/51/24/74/353512474.db2.gz SEXCKWSHOGAPAE-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C(C)(C)CO ZINC000134847248 353512476 /nfs/dbraw/zinc/51/24/76/353512476.db2.gz SEXCKWSHOGAPAE-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000191959781 353523412 /nfs/dbraw/zinc/52/34/12/353523412.db2.gz IIRBQPBNDSKSRG-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC000191959781 353523416 /nfs/dbraw/zinc/52/34/16/353523416.db2.gz IIRBQPBNDSKSRG-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CC(C)(C)O ZINC000192028144 353533243 /nfs/dbraw/zinc/53/32/43/353533243.db2.gz JQYPCFQBRGKCDA-QMMMGPOBSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CC(C)(C)O ZINC000192028144 353533245 /nfs/dbraw/zinc/53/32/45/353533245.db2.gz JQYPCFQBRGKCDA-QMMMGPOBSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1cc(N2CCC(O)(CO)CC2)c(C#N)c[nH+]1 ZINC000399013240 353588906 /nfs/dbraw/zinc/58/89/06/353588906.db2.gz ZISFVEBUBLGXCZ-UHFFFAOYSA-N 1 2 247.298 0.585 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000192709316 353563844 /nfs/dbraw/zinc/56/38/44/353563844.db2.gz CLUKUUPBKKBEND-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO Cn1nnc(C[N@H+](CCO)C2CCCCC2)n1 ZINC000194429813 353648335 /nfs/dbraw/zinc/64/83/35/353648335.db2.gz FDQRDBYKZGIOQK-UHFFFAOYSA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@@H+](CCO)C2CCCCC2)n1 ZINC000194429813 353648337 /nfs/dbraw/zinc/64/83/37/353648337.db2.gz FDQRDBYKZGIOQK-UHFFFAOYSA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@H+](C)[C@H](CO)C(C)(C)C)n1 ZINC000194449844 353663062 /nfs/dbraw/zinc/66/30/62/353663062.db2.gz BXLOQZMELZXBQI-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnc(C[N@@H+](C)[C@H](CO)C(C)(C)C)n1 ZINC000194449844 353663064 /nfs/dbraw/zinc/66/30/64/353663064.db2.gz BXLOQZMELZXBQI-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412427113 191285262 /nfs/dbraw/zinc/28/52/62/191285262.db2.gz LPNAZKKIDTXXAU-QCNOEVLYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCO ZINC000577885022 366097171 /nfs/dbraw/zinc/09/71/71/366097171.db2.gz AZUKCSNRBTZHJC-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCO ZINC000577885022 366097179 /nfs/dbraw/zinc/09/71/79/366097179.db2.gz AZUKCSNRBTZHJC-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412427113 191285264 /nfs/dbraw/zinc/28/52/64/191285264.db2.gz LPNAZKKIDTXXAU-QCNOEVLYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCO ZINC000577885023 366097258 /nfs/dbraw/zinc/09/72/58/366097258.db2.gz AZUKCSNRBTZHJC-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCO ZINC000577885023 366097264 /nfs/dbraw/zinc/09/72/64/366097264.db2.gz AZUKCSNRBTZHJC-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000195431861 353755634 /nfs/dbraw/zinc/75/56/34/353755634.db2.gz UVBJEGHQLFOTQA-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000195431861 353755635 /nfs/dbraw/zinc/75/56/35/353755635.db2.gz UVBJEGHQLFOTQA-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639121704 353771622 /nfs/dbraw/zinc/77/16/22/353771622.db2.gz VRKJBFLROURHLI-HTQZYQBOSA-N 1 2 244.316 0.910 20 0 BCADLO CC(C)NC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000391950876 353813368 /nfs/dbraw/zinc/81/33/68/353813368.db2.gz HJUWTKWRMHFVJL-SECBINFHSA-N 1 2 239.323 0.380 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC(F)C1 ZINC000613446738 363268174 /nfs/dbraw/zinc/26/81/74/363268174.db2.gz VLURKMRIKWOKSH-ZETCQYMHSA-N 1 2 223.251 0.695 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC(F)C1 ZINC000613446738 363268177 /nfs/dbraw/zinc/26/81/77/363268177.db2.gz VLURKMRIKWOKSH-ZETCQYMHSA-N 1 2 223.251 0.695 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(CO)c1 ZINC000343395668 353877184 /nfs/dbraw/zinc/87/71/84/353877184.db2.gz BTVNCLVYNCEMIC-UHFFFAOYSA-N 1 2 231.255 0.832 20 0 BCADLO Nc1nc(N)c(CNC2(C(F)F)CC2)c[nH+]1 ZINC000639139641 353856102 /nfs/dbraw/zinc/85/61/02/353856102.db2.gz NDSPEZILJLTKBB-UHFFFAOYSA-N 1 2 229.234 0.189 20 0 BCADLO CCOC(=O)CCC[N@H+](CC(=O)OC)C1CC1 ZINC000343543755 353917916 /nfs/dbraw/zinc/91/79/16/353917916.db2.gz VXEKHUWPHLREML-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CCC[N@@H+](CC(=O)OC)C1CC1 ZINC000343543755 353917919 /nfs/dbraw/zinc/91/79/19/353917919.db2.gz VXEKHUWPHLREML-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000343524079 353927509 /nfs/dbraw/zinc/92/75/09/353927509.db2.gz IIFSNZPHQWOBLW-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000343524079 353927512 /nfs/dbraw/zinc/92/75/12/353927512.db2.gz IIFSNZPHQWOBLW-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1COC[C@@H]1O ZINC000343586763 353940447 /nfs/dbraw/zinc/94/04/47/353940447.db2.gz FIJQNESOYXOUIK-OLZOCXBDSA-N 1 2 245.282 0.826 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@H]1COC[C@H]1O ZINC000343586765 353940557 /nfs/dbraw/zinc/94/05/57/353940557.db2.gz FIJQNESOYXOUIK-QWHCGFSZSA-N 1 2 245.282 0.826 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000343592052 353941632 /nfs/dbraw/zinc/94/16/32/353941632.db2.gz RZGMJQJDNODAPO-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000343592052 353941633 /nfs/dbraw/zinc/94/16/33/353941633.db2.gz RZGMJQJDNODAPO-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000343639586 353951282 /nfs/dbraw/zinc/95/12/82/353951282.db2.gz NVAZZIQWQCVOJU-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000343639586 353951286 /nfs/dbraw/zinc/95/12/86/353951286.db2.gz NVAZZIQWQCVOJU-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)c(=O)[nH]c1C ZINC000343628096 353947824 /nfs/dbraw/zinc/94/78/24/353947824.db2.gz QZEPWXZBQKQUOW-UHFFFAOYSA-N 1 2 247.258 0.452 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C(C)C)o1 ZINC000577950851 366134814 /nfs/dbraw/zinc/13/48/14/366134814.db2.gz GTMRHWANCDRABW-RKDXNWHRSA-N 1 2 241.291 0.696 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(O)C1 ZINC000343845957 354021172 /nfs/dbraw/zinc/02/11/72/354021172.db2.gz CGHXRLBLRZCIRL-NSHDSACASA-N 1 2 223.276 0.244 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H](C)OC ZINC000343858666 354024405 /nfs/dbraw/zinc/02/44/05/354024405.db2.gz BKWPRBGJWYUARM-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H](C)OC ZINC000343858666 354024407 /nfs/dbraw/zinc/02/44/07/354024407.db2.gz BKWPRBGJWYUARM-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccon1 ZINC000343831419 354034166 /nfs/dbraw/zinc/03/41/66/354034166.db2.gz XISGHDYZENZHDV-JTQLQIEISA-N 1 2 228.248 0.030 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccon1 ZINC000343831419 354034169 /nfs/dbraw/zinc/03/41/69/354034169.db2.gz XISGHDYZENZHDV-JTQLQIEISA-N 1 2 228.248 0.030 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ncc(C)n2C)C1 ZINC000343992341 354063504 /nfs/dbraw/zinc/06/35/04/354063504.db2.gz WPIRKIVTQQWBKG-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ncc(C)n2C)C1 ZINC000343992341 354063507 /nfs/dbraw/zinc/06/35/07/354063507.db2.gz WPIRKIVTQQWBKG-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@@H]1C[C@@H](CO)N(Cc2[nH+]cc(C)n2C)C1 ZINC000343992341 354063511 /nfs/dbraw/zinc/06/35/11/354063511.db2.gz WPIRKIVTQQWBKG-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nc2[nH]ccc2c(NC(C)(CO)CO)[nH+]1 ZINC000343899499 354053903 /nfs/dbraw/zinc/05/39/03/354053903.db2.gz JKBUXDCHPSQOJR-UHFFFAOYSA-N 1 2 236.275 0.422 20 0 BCADLO C[N@H+](Cc1ccc2c(n1)CCC2)[C@H]1CCNC1=O ZINC000334562255 354118010 /nfs/dbraw/zinc/11/80/10/354118010.db2.gz WPSVZWXOIXMSLP-ZDUSSCGKSA-N 1 2 245.326 0.891 20 0 BCADLO C[N@@H+](Cc1ccc2c(n1)CCC2)[C@H]1CCNC1=O ZINC000334562255 354118011 /nfs/dbraw/zinc/11/80/11/354118011.db2.gz WPSVZWXOIXMSLP-ZDUSSCGKSA-N 1 2 245.326 0.891 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000344180359 354175423 /nfs/dbraw/zinc/17/54/23/354175423.db2.gz AHLFBARPJPYIIX-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO C[N@H+](CCc1ccccc1O)Cc1n[nH]c(=O)[nH]1 ZINC000344183388 354176994 /nfs/dbraw/zinc/17/69/94/354176994.db2.gz AHAICLOTHFMKFD-UHFFFAOYSA-N 1 2 248.286 0.890 20 0 BCADLO C[N@@H+](CCc1ccccc1O)Cc1n[nH]c(=O)[nH]1 ZINC000344183388 354176996 /nfs/dbraw/zinc/17/69/96/354176996.db2.gz AHAICLOTHFMKFD-UHFFFAOYSA-N 1 2 248.286 0.890 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127874 354146771 /nfs/dbraw/zinc/14/67/71/354146771.db2.gz WZMKGFUFKIYIBD-DTWKUNHWSA-N 1 2 240.307 0.725 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127874 354146773 /nfs/dbraw/zinc/14/67/73/354146773.db2.gz WZMKGFUFKIYIBD-DTWKUNHWSA-N 1 2 240.307 0.725 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344130000 354147643 /nfs/dbraw/zinc/14/76/43/354147643.db2.gz MIHBJJIVXXLGCP-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344130000 354147647 /nfs/dbraw/zinc/14/76/47/354147647.db2.gz MIHBJJIVXXLGCP-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCC[C@]1(CO)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000344272189 354196470 /nfs/dbraw/zinc/19/64/70/354196470.db2.gz CHFIKJBEICAUCJ-NSHDSACASA-N 1 2 240.307 0.495 20 0 BCADLO CCC[C@]1(CO)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000344272189 354196471 /nfs/dbraw/zinc/19/64/71/354196471.db2.gz CHFIKJBEICAUCJ-NSHDSACASA-N 1 2 240.307 0.495 20 0 BCADLO O=C(CCc1ncc[nH]1)NCCCn1cc[nH+]c1 ZINC000344216933 354196959 /nfs/dbraw/zinc/19/69/59/354196959.db2.gz USIJWAMCDDZECG-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CC(N)=O ZINC000344466273 354266019 /nfs/dbraw/zinc/26/60/19/354266019.db2.gz QGFOXYSSPPAPII-JTQLQIEISA-N 1 2 249.314 0.455 20 0 BCADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CC(N)=O ZINC000344466273 354266022 /nfs/dbraw/zinc/26/60/22/354266022.db2.gz QGFOXYSSPPAPII-JTQLQIEISA-N 1 2 249.314 0.455 20 0 BCADLO CCn1nncc1C[NH2+]CN1CCC(=O)CC1 ZINC000529639148 324368973 /nfs/dbraw/zinc/36/89/73/324368973.db2.gz ODQWBSPDOZEWMO-UHFFFAOYSA-N 1 2 237.307 0.010 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000639180609 354283416 /nfs/dbraw/zinc/28/34/16/354283416.db2.gz NWMHKDMECQBFIP-UHFFFAOYSA-N 1 2 221.260 0.108 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](F)C[C@@H]2C(N)=O)n1C ZINC000344509251 354291491 /nfs/dbraw/zinc/29/14/91/354291491.db2.gz GQCUFIGWHCMBRY-DTWKUNHWSA-N 1 2 240.282 0.126 20 0 BCADLO CO[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000074230612 354306762 /nfs/dbraw/zinc/30/67/62/354306762.db2.gz TWYWZDNBMHNXQH-JTQLQIEISA-N 1 2 225.292 0.670 20 0 BCADLO CCC[C@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000344471980 354267318 /nfs/dbraw/zinc/26/73/18/354267318.db2.gz IFEYGZGONOPPRB-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cc[nH]n1 ZINC000344520862 354275945 /nfs/dbraw/zinc/27/59/45/354275945.db2.gz DCJNJAFHHUHGAO-SECBINFHSA-N 1 2 233.275 0.354 20 0 BCADLO NC(=O)C1(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000178697996 366155736 /nfs/dbraw/zinc/15/57/36/366155736.db2.gz UGRMVTRUEXDSAJ-UHFFFAOYSA-N 1 2 244.254 0.082 20 0 BCADLO C[C@@H](CF)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000639183366 354350477 /nfs/dbraw/zinc/35/04/77/354350477.db2.gz SHSSMVJAKAZJPL-LURJTMIESA-N 1 2 236.268 0.375 20 0 BCADLO CSCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334631059 354374061 /nfs/dbraw/zinc/37/40/61/354374061.db2.gz YZQVQMIIAPOTFU-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO CSCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334631059 354374063 /nfs/dbraw/zinc/37/40/63/354374063.db2.gz YZQVQMIIAPOTFU-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)N(C)CC)CCO1 ZINC000344778749 354364375 /nfs/dbraw/zinc/36/43/75/354364375.db2.gz XMUXEIYZTASHHW-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)N(C)CC)CCO1 ZINC000344778749 354364376 /nfs/dbraw/zinc/36/43/76/354364376.db2.gz XMUXEIYZTASHHW-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000334683683 354429608 /nfs/dbraw/zinc/42/96/08/354429608.db2.gz DVYVNEAWJMOBSJ-SNVBAGLBSA-N 1 2 228.336 0.822 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000334683683 354429612 /nfs/dbraw/zinc/42/96/12/354429612.db2.gz DVYVNEAWJMOBSJ-SNVBAGLBSA-N 1 2 228.336 0.822 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000179157040 366213575 /nfs/dbraw/zinc/21/35/75/366213575.db2.gz RWKDLAYFNRRKRK-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000179157040 366213580 /nfs/dbraw/zinc/21/35/80/366213580.db2.gz RWKDLAYFNRRKRK-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)on1 ZINC000334732977 354533074 /nfs/dbraw/zinc/53/30/74/354533074.db2.gz YJQCWILFGYEECX-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H](C(N)=O)C1 ZINC000334707918 354502463 /nfs/dbraw/zinc/50/24/63/354502463.db2.gz JYFZTXLKHXJTIA-VHSXEESVSA-N 1 2 239.319 0.854 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H](C(N)=O)C1 ZINC000334707918 354502467 /nfs/dbraw/zinc/50/24/67/354502467.db2.gz JYFZTXLKHXJTIA-VHSXEESVSA-N 1 2 239.319 0.854 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000334710176 354505931 /nfs/dbraw/zinc/50/59/31/354505931.db2.gz QBKIBLVACVTWMT-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000334710176 354505933 /nfs/dbraw/zinc/50/59/33/354505933.db2.gz QBKIBLVACVTWMT-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO COCCCC(=O)Nc1cc[nH+]cc1O ZINC000345362362 354633364 /nfs/dbraw/zinc/63/33/64/354633364.db2.gz UPOGDMZSGQKPKP-UHFFFAOYSA-N 1 2 210.233 0.574 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H](C)CO)C(=O)OC ZINC000120996565 354639735 /nfs/dbraw/zinc/63/97/35/354639735.db2.gz VWGGAJYDLRUKLY-GXSJLCMTSA-N 1 2 217.309 0.936 20 0 BCADLO CN1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335087873 354622618 /nfs/dbraw/zinc/62/26/18/354622618.db2.gz RPBXYZNKCLKEIY-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO CCC1CN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000335113298 354701073 /nfs/dbraw/zinc/70/10/73/354701073.db2.gz MMKDKQXDGXZXHJ-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CCC1CN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000335113298 354701076 /nfs/dbraw/zinc/70/10/76/354701076.db2.gz MMKDKQXDGXZXHJ-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccnc1 ZINC000345637847 354720757 /nfs/dbraw/zinc/72/07/57/354720757.db2.gz HGAHBBMXFMYUML-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CCC1CC[NH+](Cc2nnnn2C)CC1 ZINC000345640492 354721677 /nfs/dbraw/zinc/72/16/77/354721677.db2.gz GYPBAIDVXDBRQP-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)COC1 ZINC000345738897 354749048 /nfs/dbraw/zinc/74/90/48/354749048.db2.gz MSSGEHMYMCXHFR-SSDOTTSWSA-N 1 2 234.246 0.136 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@](C)(F)C2)nc1=O ZINC000335134115 354782251 /nfs/dbraw/zinc/78/22/51/354782251.db2.gz OPKWABISXDKKPZ-VIFPVBQESA-N 1 2 214.244 0.042 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@](C)(F)C2)nc1=O ZINC000335134115 354782255 /nfs/dbraw/zinc/78/22/55/354782255.db2.gz OPKWABISXDKKPZ-VIFPVBQESA-N 1 2 214.244 0.042 20 0 BCADLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)n2ncnc2n1 ZINC000345651061 354736890 /nfs/dbraw/zinc/73/68/90/354736890.db2.gz ALMWKMJKXSIYLC-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO COCCc1nc(C[NH+]2CCCC2)no1 ZINC000345949032 354817545 /nfs/dbraw/zinc/81/75/45/354817545.db2.gz APKZESRNOJMSMA-UHFFFAOYSA-N 1 2 211.265 0.854 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCCN1)CC2 ZINC000627169148 363415737 /nfs/dbraw/zinc/41/57/37/363415737.db2.gz DWUQSURTZDUEME-NSHDSACASA-N 1 2 248.330 0.881 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233690761 363406340 /nfs/dbraw/zinc/40/63/40/363406340.db2.gz ZYEAUSYIGNHDDZ-BBBLOLIVSA-N 1 2 231.292 0.284 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233690761 363406342 /nfs/dbraw/zinc/40/63/42/363406342.db2.gz ZYEAUSYIGNHDDZ-BBBLOLIVSA-N 1 2 231.292 0.284 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CCNC(=O)[C@H]1C ZINC000335145604 354855350 /nfs/dbraw/zinc/85/53/50/354855350.db2.gz DPUOSTQRBDSJHO-SNVBAGLBSA-N 1 2 236.319 0.784 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCC1 ZINC000335949433 134021346 /nfs/dbraw/zinc/02/13/46/134021346.db2.gz SVWNVWSFRFNIRX-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCC1 ZINC000335949433 134021347 /nfs/dbraw/zinc/02/13/47/134021347.db2.gz SVWNVWSFRFNIRX-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO CCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000346413346 354917008 /nfs/dbraw/zinc/91/70/08/354917008.db2.gz DBFOHYHPTIVRHI-NSHDSACASA-N 1 2 227.352 0.539 20 0 BCADLO CCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000346413346 354917010 /nfs/dbraw/zinc/91/70/10/354917010.db2.gz DBFOHYHPTIVRHI-NSHDSACASA-N 1 2 227.352 0.539 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC(F)F ZINC000346360001 354917197 /nfs/dbraw/zinc/91/71/97/354917197.db2.gz AEURTKFNBKWDKO-UHFFFAOYSA-N 1 2 203.192 0.642 20 0 BCADLO C[C@H](CC(N)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235413441 363444242 /nfs/dbraw/zinc/44/42/42/363444242.db2.gz AHIQNSSOGWJZCE-SCSAIBSYSA-N 1 2 229.671 0.388 20 0 BCADLO C[C@H](CC(N)=O)Nc1[nH+]cnc(N)c1Cl ZINC000235413441 363444246 /nfs/dbraw/zinc/44/42/46/363444246.db2.gz AHIQNSSOGWJZCE-SCSAIBSYSA-N 1 2 229.671 0.388 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000235447134 363445275 /nfs/dbraw/zinc/44/52/75/363445275.db2.gz DPJBCZLXTCHUDQ-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000235447134 363445279 /nfs/dbraw/zinc/44/52/79/363445279.db2.gz DPJBCZLXTCHUDQ-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000346340263 354900563 /nfs/dbraw/zinc/90/05/63/354900563.db2.gz PYJFQFNGSPWLCX-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000346340263 354900564 /nfs/dbraw/zinc/90/05/64/354900564.db2.gz PYJFQFNGSPWLCX-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000346379341 354905103 /nfs/dbraw/zinc/90/51/03/354905103.db2.gz MEHGIHCREYFNEE-CYBMUJFWSA-N 1 2 249.314 0.900 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000346367657 354919673 /nfs/dbraw/zinc/91/96/73/354919673.db2.gz OSPQUTKOSGFQJU-KOLCDFICSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000346367657 354919677 /nfs/dbraw/zinc/91/96/77/354919677.db2.gz OSPQUTKOSGFQJU-KOLCDFICSA-N 1 2 225.267 0.690 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOCC(F)F ZINC000346423047 354924962 /nfs/dbraw/zinc/92/49/62/354924962.db2.gz CFGSYWMMDXXCKZ-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOCC(F)F ZINC000346423047 354924970 /nfs/dbraw/zinc/92/49/70/354924970.db2.gz CFGSYWMMDXXCKZ-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO CCN(CCC1CC1)C(=O)[C@H]1COCC[N@@H+]1C ZINC000346429819 354930282 /nfs/dbraw/zinc/93/02/82/354930282.db2.gz WVDIYFBIJVWFAS-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CCC1CC1)C(=O)[C@H]1COCC[N@H+]1C ZINC000346429819 354930285 /nfs/dbraw/zinc/93/02/85/354930285.db2.gz WVDIYFBIJVWFAS-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335958954 134023943 /nfs/dbraw/zinc/02/39/43/134023943.db2.gz IKCWBYDRUDPRMM-KOLCDFICSA-N 1 2 230.283 0.061 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335958954 134023944 /nfs/dbraw/zinc/02/39/44/134023944.db2.gz IKCWBYDRUDPRMM-KOLCDFICSA-N 1 2 230.283 0.061 20 0 BCADLO CCN(CCO)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000346515261 354963613 /nfs/dbraw/zinc/96/36/13/354963613.db2.gz BSDBUTDGKALUGN-UHFFFAOYSA-N 1 2 243.395 0.375 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](CCOCC(F)F)CCN12 ZINC000346573702 354975411 /nfs/dbraw/zinc/97/54/11/354975411.db2.gz PKWIYAIBMOGHIR-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](CCOCC(F)F)CCN12 ZINC000346573702 354975413 /nfs/dbraw/zinc/97/54/13/354975413.db2.gz PKWIYAIBMOGHIR-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccncc1 ZINC000335196576 355029667 /nfs/dbraw/zinc/02/96/67/355029667.db2.gz UWKKOQDNOBXJPY-KXMPLOMGSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccncc1 ZINC000335196576 355029670 /nfs/dbraw/zinc/02/96/70/355029670.db2.gz UWKKOQDNOBXJPY-KXMPLOMGSA-N 1 2 231.299 0.915 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335207543 355043410 /nfs/dbraw/zinc/04/34/10/355043410.db2.gz WDIXIOMLOXQTJG-RKDXNWHRSA-N 1 2 215.272 0.444 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335207543 355043412 /nfs/dbraw/zinc/04/34/12/355043412.db2.gz WDIXIOMLOXQTJG-RKDXNWHRSA-N 1 2 215.272 0.444 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncnn2C)[C@@H]1C ZINC000346678344 355009762 /nfs/dbraw/zinc/00/97/62/355009762.db2.gz YMYJFWSJXOCIAU-RKDXNWHRSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncnn2C)[C@@H]1C ZINC000346678344 355009764 /nfs/dbraw/zinc/00/97/64/355009764.db2.gz YMYJFWSJXOCIAU-RKDXNWHRSA-N 1 2 238.291 0.199 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366953152 355017261 /nfs/dbraw/zinc/01/72/61/355017261.db2.gz SDMDTLBIOBAURY-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366953152 355017262 /nfs/dbraw/zinc/01/72/62/355017262.db2.gz SDMDTLBIOBAURY-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO CC(C)(C)N1CC[C@H]([NH+]2CCOCC2)C1=O ZINC000335230751 355073303 /nfs/dbraw/zinc/07/33/03/355073303.db2.gz NCTJGNBVAGKDNW-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+](CCOC)[C@H](C)c1nncn1C ZINC000346820904 355124930 /nfs/dbraw/zinc/12/49/30/355124930.db2.gz IVNYNPDGEDMMNC-SECBINFHSA-N 1 2 212.297 0.844 20 0 BCADLO CC[N@@H+](CCOC)[C@H](C)c1nncn1C ZINC000346820904 355124931 /nfs/dbraw/zinc/12/49/31/355124931.db2.gz IVNYNPDGEDMMNC-SECBINFHSA-N 1 2 212.297 0.844 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000346832250 355129544 /nfs/dbraw/zinc/12/95/44/355129544.db2.gz YWJCVGBYSPJGTC-VIFPVBQESA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000346832250 355129546 /nfs/dbraw/zinc/12/95/46/355129546.db2.gz YWJCVGBYSPJGTC-VIFPVBQESA-N 1 2 225.292 0.538 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC(=O)C1CC1 ZINC000346833134 355129803 /nfs/dbraw/zinc/12/98/03/355129803.db2.gz VFDMZEHUUKQOCV-UHFFFAOYSA-N 1 2 221.260 0.356 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC(=O)C1CC1 ZINC000346833134 355129804 /nfs/dbraw/zinc/12/98/04/355129804.db2.gz VFDMZEHUUKQOCV-UHFFFAOYSA-N 1 2 221.260 0.356 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1nncn1C ZINC000346833500 355129835 /nfs/dbraw/zinc/12/98/35/355129835.db2.gz QKQDTNVPEXNHHX-VIFPVBQESA-N 1 2 240.307 0.761 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000346833500 355129836 /nfs/dbraw/zinc/12/98/36/355129836.db2.gz QKQDTNVPEXNHHX-VIFPVBQESA-N 1 2 240.307 0.761 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)CO ZINC000346844050 355134464 /nfs/dbraw/zinc/13/44/64/355134464.db2.gz KPVLYYDIMAWUNO-UHFFFAOYSA-N 1 2 211.265 0.148 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)CO ZINC000346844050 355134465 /nfs/dbraw/zinc/13/44/65/355134465.db2.gz KPVLYYDIMAWUNO-UHFFFAOYSA-N 1 2 211.265 0.148 20 0 BCADLO CCOCC[N@H+](C)[C@@H](C)c1nncn1C ZINC000347019605 355206565 /nfs/dbraw/zinc/20/65/65/355206565.db2.gz SJNMCAUNNSGHBO-VIFPVBQESA-N 1 2 212.297 0.844 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347019605 355206566 /nfs/dbraw/zinc/20/65/66/355206566.db2.gz SJNMCAUNNSGHBO-VIFPVBQESA-N 1 2 212.297 0.844 20 0 BCADLO COC(=O)C[N@H+](Cc1cn[nH]c1)C(C)C ZINC000389580249 355216394 /nfs/dbraw/zinc/21/63/94/355216394.db2.gz GLXFHFIESPZBKL-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COC(=O)C[N@@H+](Cc1cn[nH]c1)C(C)C ZINC000389580249 355216396 /nfs/dbraw/zinc/21/63/96/355216396.db2.gz GLXFHFIESPZBKL-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO Cc1cnn(CC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000335242942 355179054 /nfs/dbraw/zinc/17/90/54/355179054.db2.gz XJOVKZFNJUIQDS-UHFFFAOYSA-N 1 2 245.286 0.430 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2ccncn2)n1 ZINC000346931137 355180282 /nfs/dbraw/zinc/18/02/82/355180282.db2.gz ATMUXOJETNVTLK-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO C[C@H]1C[N@H+](CCOCC(F)F)C[C@H](CO)O1 ZINC000346991009 355190462 /nfs/dbraw/zinc/19/04/62/355190462.db2.gz SMVWCUDEVGIFCF-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC(F)F)C[C@H](CO)O1 ZINC000346991009 355190464 /nfs/dbraw/zinc/19/04/64/355190464.db2.gz SMVWCUDEVGIFCF-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO CNC(=O)CCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413118608 191356742 /nfs/dbraw/zinc/35/67/42/191356742.db2.gz LNKIIOKLUJQRPK-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CNC(=O)CCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413118608 191356744 /nfs/dbraw/zinc/35/67/44/191356744.db2.gz LNKIIOKLUJQRPK-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000639241123 355226175 /nfs/dbraw/zinc/22/61/75/355226175.db2.gz BTGNCGIYWSLNSQ-ZJUUUORDSA-N 1 2 236.319 0.672 20 0 BCADLO Cn1ncnc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000639241123 355226178 /nfs/dbraw/zinc/22/61/78/355226178.db2.gz BTGNCGIYWSLNSQ-ZJUUUORDSA-N 1 2 236.319 0.672 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000113501646 355241227 /nfs/dbraw/zinc/24/12/27/355241227.db2.gz RVGUPEJTSSUWKV-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000113501646 355241230 /nfs/dbraw/zinc/24/12/30/355241230.db2.gz RVGUPEJTSSUWKV-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCOCC(F)F ZINC000347635157 355242886 /nfs/dbraw/zinc/24/28/86/355242886.db2.gz HGFLJTOIKPSHPU-UHFFFAOYSA-N 1 2 234.250 0.529 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCOCC(F)F ZINC000347635157 355242888 /nfs/dbraw/zinc/24/28/88/355242888.db2.gz HGFLJTOIKPSHPU-UHFFFAOYSA-N 1 2 234.250 0.529 20 0 BCADLO C[C@H](C(=O)N(C)[C@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000335289332 355260660 /nfs/dbraw/zinc/26/06/60/355260660.db2.gz ARLULHNGTSOWKH-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](CO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413198094 191362407 /nfs/dbraw/zinc/36/24/07/191362407.db2.gz HCERVYOOBZNFFY-MRVPVSSYSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@H](CO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413198094 191362410 /nfs/dbraw/zinc/36/24/10/191362410.db2.gz HCERVYOOBZNFFY-MRVPVSSYSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@H](O)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413298072 191370758 /nfs/dbraw/zinc/37/07/58/191370758.db2.gz FVHXTYHWQRZAPA-QMMMGPOBSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@H](O)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413298072 191370761 /nfs/dbraw/zinc/37/07/61/191370761.db2.gz FVHXTYHWQRZAPA-QMMMGPOBSA-N 1 2 222.292 0.868 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)C(C)C)CCO1 ZINC000347666464 355256786 /nfs/dbraw/zinc/25/67/86/355256786.db2.gz YQJUMDSLYSNEKV-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)C)CCO1 ZINC000347666464 355256788 /nfs/dbraw/zinc/25/67/88/355256788.db2.gz YQJUMDSLYSNEKV-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO Cc1ccc(O)c(C[NH+]2CC(C)(O)C2)n1 ZINC000639253576 355290990 /nfs/dbraw/zinc/29/09/90/355290990.db2.gz BGWJVGHLPRCXCD-UHFFFAOYSA-N 1 2 208.261 0.662 20 0 BCADLO Cc1nnsc1C[NH+]1CC(C)(CO)C1 ZINC000639254861 355294640 /nfs/dbraw/zinc/29/46/40/355294640.db2.gz DOMGVCHRWWBBOO-UHFFFAOYSA-N 1 2 213.306 0.661 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc(C)ns2)C1 ZINC000639262876 355317550 /nfs/dbraw/zinc/31/75/50/355317550.db2.gz CBXLHTXHBVGOQC-UHFFFAOYSA-N 1 2 225.317 0.629 20 0 BCADLO CO[C@@]1(C[NH+]2CC(OC(F)F)C2)CCOC1 ZINC000639263859 355319604 /nfs/dbraw/zinc/31/96/04/355319604.db2.gz HOGLUNIXFXMBOD-SNVBAGLBSA-N 1 2 237.246 0.715 20 0 BCADLO C[C@@H](CC(=O)N1CCOCC1)n1cc[nH+]c1 ZINC000008746667 355334359 /nfs/dbraw/zinc/33/43/59/355334359.db2.gz XXTSVKXUMKWNON-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO FC(F)(F)C1C[NH+](CCn2cncn2)C1 ZINC000583532170 355391327 /nfs/dbraw/zinc/39/13/27/355391327.db2.gz OOFQHJKQMPIGOE-UHFFFAOYSA-N 1 2 220.198 0.772 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000235716561 363450866 /nfs/dbraw/zinc/45/08/66/363450866.db2.gz DPJBCZLXTCHUDQ-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000235716561 363450870 /nfs/dbraw/zinc/45/08/70/363450870.db2.gz DPJBCZLXTCHUDQ-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO Cc1nnc(C[N@H+](CCCO)C2CC2)o1 ZINC000389590270 355360387 /nfs/dbraw/zinc/36/03/87/355360387.db2.gz HFDDKQKAJBRWHK-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@@H+](CCCO)C2CC2)o1 ZINC000389590270 355360390 /nfs/dbraw/zinc/36/03/90/355360390.db2.gz HFDDKQKAJBRWHK-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO O=C(Cc1ncccc1F)NCc1[nH]cc[nH+]1 ZINC000349694678 355412249 /nfs/dbraw/zinc/41/22/49/355412249.db2.gz QKGGMDXNENVUAR-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782931 355430618 /nfs/dbraw/zinc/43/06/18/355430618.db2.gz CEXFUODVJAWQQX-WDEREUQCSA-N 1 2 248.330 0.725 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782931 355430620 /nfs/dbraw/zinc/43/06/20/355430620.db2.gz CEXFUODVJAWQQX-WDEREUQCSA-N 1 2 248.330 0.725 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000335785103 355433581 /nfs/dbraw/zinc/43/35/81/355433581.db2.gz XKARESVUQZZICA-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000335785103 355433585 /nfs/dbraw/zinc/43/35/85/355433585.db2.gz XKARESVUQZZICA-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCc2ccncc21 ZINC000583533547 355396023 /nfs/dbraw/zinc/39/60/23/355396023.db2.gz YOPXLOBIKASGHJ-UHFFFAOYSA-N 1 2 228.255 0.867 20 0 BCADLO c1c[nH]c(-c2noc(Cn3cc[nH+]c3)n2)n1 ZINC000349778237 355459608 /nfs/dbraw/zinc/45/96/08/355459608.db2.gz PISIBWRTTNSQBZ-UHFFFAOYSA-N 1 2 216.204 0.705 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)COC1 ZINC000335803174 355472705 /nfs/dbraw/zinc/47/27/05/355472705.db2.gz MJPVSRFUEOFWEN-UHFFFAOYSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@H](C(=O)NC1CCC1)[NH+]1CCOCC1 ZINC000335804028 355474104 /nfs/dbraw/zinc/47/41/04/355474104.db2.gz CHAWHJNHFVPCCU-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO COCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349852724 355483462 /nfs/dbraw/zinc/48/34/62/355483462.db2.gz QJLBTZMOZKMYJE-SECBINFHSA-N 1 2 241.291 0.998 20 0 BCADLO COCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349852724 355483467 /nfs/dbraw/zinc/48/34/67/355483467.db2.gz QJLBTZMOZKMYJE-SECBINFHSA-N 1 2 241.291 0.998 20 0 BCADLO O=C(NCCF)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335823887 355545063 /nfs/dbraw/zinc/54/50/63/355545063.db2.gz UPSDJPMCKJHPHX-ZETCQYMHSA-N 1 2 226.255 0.536 20 0 BCADLO O=C(NCCF)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335823887 355545066 /nfs/dbraw/zinc/54/50/66/355545066.db2.gz UPSDJPMCKJHPHX-ZETCQYMHSA-N 1 2 226.255 0.536 20 0 BCADLO O=C(NCCF)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335823885 355545310 /nfs/dbraw/zinc/54/53/10/355545310.db2.gz UPSDJPMCKJHPHX-SSDOTTSWSA-N 1 2 226.255 0.536 20 0 BCADLO O=C(NCCF)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335823885 355545314 /nfs/dbraw/zinc/54/53/14/355545314.db2.gz UPSDJPMCKJHPHX-SSDOTTSWSA-N 1 2 226.255 0.536 20 0 BCADLO CC[C@@H]([NH2+]CCC1(O)CCOCC1)C(=O)OC ZINC000349966983 355546410 /nfs/dbraw/zinc/54/64/10/355546410.db2.gz BHQPUBKNHJVWIY-SNVBAGLBSA-N 1 2 245.319 0.459 20 0 BCADLO O=C(NC1CC[NH+](Cc2ncc[nH]2)CC1)C1CC1 ZINC000349989302 355546606 /nfs/dbraw/zinc/54/66/06/355546606.db2.gz HUPVPHLECKEFJJ-UHFFFAOYSA-N 1 2 248.330 0.900 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)on1 ZINC000335825040 355548819 /nfs/dbraw/zinc/54/88/19/355548819.db2.gz YWSLRNSPCBVSQN-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)NC[C@@H](C)O)cc2n1C ZINC000335831807 355558338 /nfs/dbraw/zinc/55/83/38/355558338.db2.gz LJGFOXUPLDNJBX-MRVPVSSYSA-N 1 2 247.298 0.992 20 0 BCADLO CC(C)OCC[C@@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000349910403 355524532 /nfs/dbraw/zinc/52/45/32/355524532.db2.gz LYRWRVPAFGOLQV-SNVBAGLBSA-N 1 2 242.323 0.413 20 0 BCADLO CC(C)OCC[C@@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000349910403 355524536 /nfs/dbraw/zinc/52/45/36/355524536.db2.gz LYRWRVPAFGOLQV-SNVBAGLBSA-N 1 2 242.323 0.413 20 0 BCADLO Cc1ccnc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000349923995 355528580 /nfs/dbraw/zinc/52/85/80/355528580.db2.gz ZDACIPLUQFCRSX-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ccnc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000349923995 355528584 /nfs/dbraw/zinc/52/85/84/355528584.db2.gz ZDACIPLUQFCRSX-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C(=O)c1ccccc1 ZINC000349921994 355528729 /nfs/dbraw/zinc/52/87/29/355528729.db2.gz PIHWTHQTEDXHSY-UHFFFAOYSA-N 1 2 229.239 0.909 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C(=O)c1ccccc1 ZINC000349921994 355528733 /nfs/dbraw/zinc/52/87/33/355528733.db2.gz PIHWTHQTEDXHSY-UHFFFAOYSA-N 1 2 229.239 0.909 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000335849116 355592809 /nfs/dbraw/zinc/59/28/09/355592809.db2.gz MWXRROSMVRMOPO-SNVBAGLBSA-N 1 2 247.298 0.619 20 0 BCADLO OC1(C[N@@H+]2CCC(F)(F)C2)CCOCC1 ZINC000335859066 355605009 /nfs/dbraw/zinc/60/50/09/355605009.db2.gz JCAWYQIVHVLDFL-UHFFFAOYSA-N 1 2 221.247 0.869 20 0 BCADLO OC1(C[N@H+]2CCC(F)(F)C2)CCOCC1 ZINC000335859066 355605011 /nfs/dbraw/zinc/60/50/11/355605011.db2.gz JCAWYQIVHVLDFL-UHFFFAOYSA-N 1 2 221.247 0.869 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000335836045 355564326 /nfs/dbraw/zinc/56/43/26/355564326.db2.gz DCAJDRSXZZNPBK-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000335836045 355564330 /nfs/dbraw/zinc/56/43/30/355564330.db2.gz DCAJDRSXZZNPBK-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cn1nncc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350143722 355614006 /nfs/dbraw/zinc/61/40/06/355614006.db2.gz ACCGXZMDDMQDOG-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000335839003 355568077 /nfs/dbraw/zinc/56/80/77/355568077.db2.gz FKWVLYJXRRMLGI-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000335839003 355568079 /nfs/dbraw/zinc/56/80/79/355568079.db2.gz FKWVLYJXRRMLGI-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CO[C@@](C)([C@H](C)[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000583551378 355578521 /nfs/dbraw/zinc/57/85/21/355578521.db2.gz ONCYWZKWRBZZNH-KWQFWETISA-N 1 2 239.323 0.503 20 0 BCADLO NC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330588570 181202689 /nfs/dbraw/zinc/20/26/89/181202689.db2.gz WTPMMOLCWGIQIR-UHFFFAOYSA-N 1 2 223.280 0.063 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000335862157 355624683 /nfs/dbraw/zinc/62/46/83/355624683.db2.gz RFDHOBBHFIMWES-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000335862157 355624685 /nfs/dbraw/zinc/62/46/85/355624685.db2.gz RFDHOBBHFIMWES-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N(C)C ZINC000336004979 134048534 /nfs/dbraw/zinc/04/85/34/134048534.db2.gz RNXHGXXLKOZLDZ-GHMZBOCLSA-N 1 2 241.335 0.463 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)CN1CCn1cc[nH+]c1 ZINC000330576311 181204983 /nfs/dbraw/zinc/20/49/83/181204983.db2.gz ONISHFVOHIYIFE-BDAKNGLRSA-N 1 2 226.255 0.831 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CS[C@@H](C)C2)[nH]1 ZINC000639311366 355681987 /nfs/dbraw/zinc/68/19/87/355681987.db2.gz MTCCJKKMJSAWBI-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO C[C@H]1[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1(F)F ZINC000336019370 134054188 /nfs/dbraw/zinc/05/41/88/134054188.db2.gz PHRWAJLALQRBTQ-IUCAKERBSA-N 1 2 248.273 0.024 20 0 BCADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CCOC1 ZINC000583601092 355732303 /nfs/dbraw/zinc/73/23/03/355732303.db2.gz FNBZOKGFEQAJGM-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO CC(C)(C[NH2+]Cc1c[nH]nn1)N1CCOCC1 ZINC000639340368 355781913 /nfs/dbraw/zinc/78/19/13/355781913.db2.gz DQOODUOOTWZFOR-UHFFFAOYSA-N 1 2 239.323 0.005 20 0 BCADLO C[C@@H](Cc1cnccn1)[NH2+]Cc1cn[nH]n1 ZINC000639341707 355783916 /nfs/dbraw/zinc/78/39/16/355783916.db2.gz PAGCQDLLWPAFRK-QMMMGPOBSA-N 1 2 218.264 0.316 20 0 BCADLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000639347708 355794748 /nfs/dbraw/zinc/79/47/48/355794748.db2.gz KRDYUZYFIPYMET-OCAPTIKFSA-N 1 2 242.300 0.379 20 0 BCADLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000639347708 355794752 /nfs/dbraw/zinc/79/47/52/355794752.db2.gz KRDYUZYFIPYMET-OCAPTIKFSA-N 1 2 242.300 0.379 20 0 BCADLO COCc1cc(C[NH2+][C@](C)(CO)COC)no1 ZINC000639362361 355817261 /nfs/dbraw/zinc/81/72/61/355817261.db2.gz IVOIPVRFTFMUSD-LLVKDONJSA-N 1 2 244.291 0.308 20 0 BCADLO CCNC(=O)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000613487988 363455681 /nfs/dbraw/zinc/45/56/81/363455681.db2.gz GDNCZWKIFPWYJX-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO COC[C@@H](CC(C)C)[NH2+]Cc1c[nH]nn1 ZINC000628363464 355848122 /nfs/dbraw/zinc/84/81/22/355848122.db2.gz LNZDATPDVKSZMI-SECBINFHSA-N 1 2 212.297 0.955 20 0 BCADLO COC[C@@H](CC(C)C)[NH2+]Cc1cn[nH]n1 ZINC000628363464 355848123 /nfs/dbraw/zinc/84/81/23/355848123.db2.gz LNZDATPDVKSZMI-SECBINFHSA-N 1 2 212.297 0.955 20 0 BCADLO CC(C)OC1CC([NH2+]Cc2cn[nH]n2)C1 ZINC000628363445 355848677 /nfs/dbraw/zinc/84/86/77/355848677.db2.gz KLVKNVZWULACRR-UHFFFAOYSA-N 1 2 210.281 0.850 20 0 BCADLO CC1(C)OCC[C@H]1[NH2+]CC(F)(F)CO ZINC000328263916 355851312 /nfs/dbraw/zinc/85/13/12/355851312.db2.gz SPWFDFOEQMBJCP-SSDOTTSWSA-N 1 2 209.236 0.771 20 0 BCADLO CCc1cnc(CNC(=O)Cn2cc[nH+]c2)o1 ZINC000583623413 355854830 /nfs/dbraw/zinc/85/48/30/355854830.db2.gz IOLIODKFPIILKZ-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000623254737 355855843 /nfs/dbraw/zinc/85/58/43/355855843.db2.gz USFMSZMTSOHUII-VPOLOUISSA-N 1 2 231.299 0.970 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H](C)S1 ZINC000608502850 355830068 /nfs/dbraw/zinc/83/00/68/355830068.db2.gz FKQHEORHLIHLIY-OCAPTIKFSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H](C)S1 ZINC000608502850 355830072 /nfs/dbraw/zinc/83/00/72/355830072.db2.gz FKQHEORHLIHLIY-OCAPTIKFSA-N 1 2 227.337 0.536 20 0 BCADLO COc1ccccc1CN1C(=O)C[C@@H]([NH3+])C1=O ZINC000216552225 355905076 /nfs/dbraw/zinc/90/50/76/355905076.db2.gz NHUMNCJLHYMHQG-SECBINFHSA-N 1 2 234.255 0.281 20 0 BCADLO OCC[NH+](CCO)Cc1cccc(O)c1Cl ZINC000628370344 355880606 /nfs/dbraw/zinc/88/06/06/355880606.db2.gz JYYCDBBWJZOVRP-UHFFFAOYSA-N 1 2 245.706 0.832 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1ncccn1)C(N)=O ZINC000192101726 355950132 /nfs/dbraw/zinc/95/01/32/355950132.db2.gz SIYJNZIJDHPNCU-SECBINFHSA-N 1 2 222.292 0.466 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000351522354 356007825 /nfs/dbraw/zinc/00/78/25/356007825.db2.gz XMNHFSLOMXWGOW-OIBJUYFYSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000351522354 356007827 /nfs/dbraw/zinc/00/78/27/356007827.db2.gz XMNHFSLOMXWGOW-OIBJUYFYSA-N 1 2 211.265 0.896 20 0 BCADLO COCCc1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000351522084 356007886 /nfs/dbraw/zinc/00/78/86/356007886.db2.gz WOCCALICCJGHFD-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000351522084 356007888 /nfs/dbraw/zinc/00/78/88/356007888.db2.gz WOCCALICCJGHFD-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO CCC[C@@H](OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257272 356035709 /nfs/dbraw/zinc/03/57/09/356035709.db2.gz IVNICGLJTPWYTN-GXSJLCMTSA-N 1 2 237.303 0.739 20 0 BCADLO CCC[C@H](OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257276 356036179 /nfs/dbraw/zinc/03/61/79/356036179.db2.gz IVNICGLJTPWYTN-ONGXEEELSA-N 1 2 237.303 0.739 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C)no2)[C@H]1C ZINC000351632137 356037473 /nfs/dbraw/zinc/03/74/73/356037473.db2.gz WBPURXQJVDJORY-CBAPKCEASA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@H]1C ZINC000351632137 356037477 /nfs/dbraw/zinc/03/74/77/356037477.db2.gz WBPURXQJVDJORY-CBAPKCEASA-N 1 2 239.275 0.761 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000351647690 356043982 /nfs/dbraw/zinc/04/39/82/356043982.db2.gz JMQUAFYOTJWXNV-KHQFGBGNSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000351647690 356043990 /nfs/dbraw/zinc/04/39/90/356043990.db2.gz JMQUAFYOTJWXNV-KHQFGBGNSA-N 1 2 225.292 0.999 20 0 BCADLO C[C@H]1C[C@H](C)N1C(=O)C[NH+]1CCOCC1 ZINC000336065421 134070405 /nfs/dbraw/zinc/07/04/05/134070405.db2.gz PBAGMSUDEVPWCY-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000049000759 181229898 /nfs/dbraw/zinc/22/98/98/181229898.db2.gz UOMLYDYATYRGAC-LLVKDONJSA-N 1 2 238.287 0.746 20 0 BCADLO NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000049000759 181229899 /nfs/dbraw/zinc/22/98/99/181229899.db2.gz UOMLYDYATYRGAC-LLVKDONJSA-N 1 2 238.287 0.746 20 0 BCADLO NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289348793 181231086 /nfs/dbraw/zinc/23/10/86/181231086.db2.gz MTNKJTLMCIJUAT-UHFFFAOYSA-N 1 2 237.278 0.828 20 0 BCADLO NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377528560 181231761 /nfs/dbraw/zinc/23/17/61/181231761.db2.gz SDXAZEMIFTXUSO-UHFFFAOYSA-N 1 2 234.255 0.345 20 0 BCADLO NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377528560 181231764 /nfs/dbraw/zinc/23/17/64/181231764.db2.gz SDXAZEMIFTXUSO-UHFFFAOYSA-N 1 2 234.255 0.345 20 0 BCADLO Cc1cnc(C[NH2+]C2CN(c3ccncn3)C2)o1 ZINC000639390406 356025515 /nfs/dbraw/zinc/02/55/15/356025515.db2.gz CPJHPIQODMPCTI-UHFFFAOYSA-N 1 2 245.286 0.751 20 0 BCADLO NC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773242 181233485 /nfs/dbraw/zinc/23/34/85/181233485.db2.gz VAPYOQLKEODFPM-JTQLQIEISA-N 1 2 212.293 0.363 20 0 BCADLO NC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773242 181233486 /nfs/dbraw/zinc/23/34/86/181233486.db2.gz VAPYOQLKEODFPM-JTQLQIEISA-N 1 2 212.293 0.363 20 0 BCADLO Cc1c[nH]c(CN2CCSC[C@@H]2CO)[nH+]1 ZINC000639397814 356109392 /nfs/dbraw/zinc/10/93/92/356109392.db2.gz SUNMREHLPIJTPW-VIFPVBQESA-N 1 2 227.333 0.628 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000120668865 181243091 /nfs/dbraw/zinc/24/30/91/181243091.db2.gz FMNFYNRCPOTSFQ-VIFPVBQESA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000120668865 181243094 /nfs/dbraw/zinc/24/30/94/181243094.db2.gz FMNFYNRCPOTSFQ-VIFPVBQESA-N 1 2 240.332 0.768 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000351806641 356088083 /nfs/dbraw/zinc/08/80/83/356088083.db2.gz GKWORCMWCRXBEK-YUMQZZPRSA-N 1 2 243.332 0.749 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000351806641 356088086 /nfs/dbraw/zinc/08/80/86/356088086.db2.gz GKWORCMWCRXBEK-YUMQZZPRSA-N 1 2 243.332 0.749 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623259582 356090054 /nfs/dbraw/zinc/09/00/54/356090054.db2.gz DUQAINOPMDSWBE-GXSJLCMTSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CO1 ZINC000623261497 356152391 /nfs/dbraw/zinc/15/23/91/356152391.db2.gz UOXBGDBARPBNDP-BBBLOLIVSA-N 1 2 235.287 0.349 20 0 BCADLO CC(C)(C(=O)N1CCC1)[NH+]1CCOCC1 ZINC000335915502 356154108 /nfs/dbraw/zinc/15/41/08/356154108.db2.gz OCECNNJEGRJKMJ-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1(CO)CC1 ZINC000617896118 356160765 /nfs/dbraw/zinc/16/07/65/356160765.db2.gz KHORAXSBURLKLY-JTQLQIEISA-N 1 2 240.347 0.605 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cncnc1 ZINC000623262217 356162610 /nfs/dbraw/zinc/16/26/10/356162610.db2.gz SVCOICQNJQMYPK-VIFPVBQESA-N 1 2 229.243 0.028 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285442812 181254817 /nfs/dbraw/zinc/25/48/17/181254817.db2.gz XRTVYAXXOJZGPH-UHFFFAOYSA-N 1 2 249.270 0.564 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285442812 181254818 /nfs/dbraw/zinc/25/48/18/181254818.db2.gz XRTVYAXXOJZGPH-UHFFFAOYSA-N 1 2 249.270 0.564 20 0 BCADLO CCn1nccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261202 356143867 /nfs/dbraw/zinc/14/38/67/356143867.db2.gz DZHSKLIBVRQEON-VIFPVBQESA-N 1 2 245.286 0.454 20 0 BCADLO CC(C)(O)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261258 356144234 /nfs/dbraw/zinc/14/42/34/356144234.db2.gz IKGCLXJRRBOGQE-SECBINFHSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CO1 ZINC000623261498 356152110 /nfs/dbraw/zinc/15/21/10/356152110.db2.gz UOXBGDBARPBNDP-KXUCPTDWSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639432607 356210148 /nfs/dbraw/zinc/21/01/48/356210148.db2.gz FMDCVBKKWZSJAK-JTQLQIEISA-N 1 2 207.277 0.740 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639432607 356210150 /nfs/dbraw/zinc/21/01/50/356210150.db2.gz FMDCVBKKWZSJAK-JTQLQIEISA-N 1 2 207.277 0.740 20 0 BCADLO O=C1C[N@H+](Cc2cccc3c2CCOC3)CCN1 ZINC000639435806 356212387 /nfs/dbraw/zinc/21/23/87/356212387.db2.gz SRZNQKSSXJJBLI-UHFFFAOYSA-N 1 2 246.310 0.691 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3c2CCOC3)CCN1 ZINC000639435806 356212389 /nfs/dbraw/zinc/21/23/89/356212389.db2.gz SRZNQKSSXJJBLI-UHFFFAOYSA-N 1 2 246.310 0.691 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435148 356214158 /nfs/dbraw/zinc/21/41/58/356214158.db2.gz XFHGUWAOXJZHNI-JQWIXIFHSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435148 356214160 /nfs/dbraw/zinc/21/41/60/356214160.db2.gz XFHGUWAOXJZHNI-JQWIXIFHSA-N 1 2 238.331 0.861 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccccn1 ZINC000639444788 356223023 /nfs/dbraw/zinc/22/30/23/356223023.db2.gz OPNPQRQESHWJPG-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccccn1 ZINC000639444788 356223026 /nfs/dbraw/zinc/22/30/26/356223026.db2.gz OPNPQRQESHWJPG-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccccn1 ZINC000639444775 356223260 /nfs/dbraw/zinc/22/32/60/356223260.db2.gz OPNPQRQESHWJPG-JTQLQIEISA-N 1 2 235.287 0.477 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccccn1 ZINC000639444775 356223263 /nfs/dbraw/zinc/22/32/63/356223263.db2.gz OPNPQRQESHWJPG-JTQLQIEISA-N 1 2 235.287 0.477 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000623264523 356236177 /nfs/dbraw/zinc/23/61/77/356236177.db2.gz NJMWODXJYCNSJJ-SKDRFNHKSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(CCOCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264758 356236256 /nfs/dbraw/zinc/23/62/56/356236256.db2.gz SLJOCQVFPKWQQE-NSHDSACASA-N 1 2 249.314 0.741 20 0 BCADLO CC1(C)CC[C@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000336105780 134085103 /nfs/dbraw/zinc/08/51/03/134085103.db2.gz WZZYGXCMSOJSAD-MRVPVSSYSA-N 1 2 223.276 0.984 20 0 BCADLO Cc1cncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623264526 356236567 /nfs/dbraw/zinc/23/65/67/356236567.db2.gz NJZXSHGTMIDPSD-LLVKDONJSA-N 1 2 242.282 0.941 20 0 BCADLO CC[C@H](C)OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263198 356198444 /nfs/dbraw/zinc/19/84/44/356198444.db2.gz FSIAIYJGOZXYTE-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000623263487 356201257 /nfs/dbraw/zinc/20/12/57/356201257.db2.gz OMUDPQVUTLEWLB-SCZZXKLOSA-N 1 2 221.260 0.103 20 0 BCADLO COCC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263388 356201644 /nfs/dbraw/zinc/20/16/44/356201644.db2.gz KYDIPTGUSODAIY-VIFPVBQESA-N 1 2 237.303 0.597 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000623263486 356201753 /nfs/dbraw/zinc/20/17/53/356201753.db2.gz OMUDPQVUTLEWLB-PSASIEDQSA-N 1 2 221.260 0.103 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC(O)C1 ZINC000613497315 363460349 /nfs/dbraw/zinc/46/03/49/363460349.db2.gz COLKIGIXXQPCSS-IDKOKCKLSA-N 1 2 249.314 0.496 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC(O)C1 ZINC000613497315 363460351 /nfs/dbraw/zinc/46/03/51/363460351.db2.gz COLKIGIXXQPCSS-IDKOKCKLSA-N 1 2 249.314 0.496 20 0 BCADLO COc1ccncc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000376511311 192018319 /nfs/dbraw/zinc/01/83/19/192018319.db2.gz LNTAXNPSBSEXLL-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccncc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000376511311 192018322 /nfs/dbraw/zinc/01/83/22/192018322.db2.gz LNTAXNPSBSEXLL-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000623264714 356236454 /nfs/dbraw/zinc/23/64/54/356236454.db2.gz RJJYNCPUBSYBKC-OHBODLIOSA-N 1 2 231.299 0.970 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639472994 356265657 /nfs/dbraw/zinc/26/56/57/356265657.db2.gz VLGCILHDOZGZMY-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639472994 356265660 /nfs/dbraw/zinc/26/56/60/356265660.db2.gz VLGCILHDOZGZMY-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639474756 356269089 /nfs/dbraw/zinc/26/90/89/356269089.db2.gz XHHYWTYIGOGGLZ-JTQLQIEISA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639474756 356269094 /nfs/dbraw/zinc/26/90/94/356269094.db2.gz XHHYWTYIGOGGLZ-JTQLQIEISA-N 1 2 212.293 0.566 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639475508 356270611 /nfs/dbraw/zinc/27/06/11/356270611.db2.gz PRSFEKXVVRDQQC-SECBINFHSA-N 1 2 223.276 0.589 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639475508 356270615 /nfs/dbraw/zinc/27/06/15/356270615.db2.gz PRSFEKXVVRDQQC-SECBINFHSA-N 1 2 223.276 0.589 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639476572 356271513 /nfs/dbraw/zinc/27/15/13/356271513.db2.gz OWWPEBCXNYCRHT-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639476572 356271517 /nfs/dbraw/zinc/27/15/17/356271517.db2.gz OWWPEBCXNYCRHT-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO CCN1CC[N@H+](Cc2c[nH]nc2C)[C@H](C)C1=O ZINC000336269249 356327801 /nfs/dbraw/zinc/32/78/01/356327801.db2.gz ZSNFYFZCXUVYBW-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO CCN1CC[N@@H+](Cc2c[nH]nc2C)[C@H](C)C1=O ZINC000336269249 356327803 /nfs/dbraw/zinc/32/78/03/356327803.db2.gz ZSNFYFZCXUVYBW-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724985 356301101 /nfs/dbraw/zinc/30/11/01/356301101.db2.gz FPTNBGZBJILIJA-USZNOCQGSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724985 356301102 /nfs/dbraw/zinc/30/11/02/356301102.db2.gz FPTNBGZBJILIJA-USZNOCQGSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724986 356301363 /nfs/dbraw/zinc/30/13/63/356301363.db2.gz FPTNBGZBJILIJA-WISYIIOYSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724986 356301367 /nfs/dbraw/zinc/30/13/67/356301367.db2.gz FPTNBGZBJILIJA-WISYIIOYSA-N 1 2 240.347 0.868 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000639493553 356315625 /nfs/dbraw/zinc/31/56/25/356315625.db2.gz NEEKRYNLYHCQIK-LLVKDONJSA-N 1 2 248.330 0.993 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000639493553 356315626 /nfs/dbraw/zinc/31/56/26/356315626.db2.gz NEEKRYNLYHCQIK-LLVKDONJSA-N 1 2 248.330 0.993 20 0 BCADLO CCC(F)(F)C[N@H+](C)CC(C)(CO)CO ZINC000639518801 356362566 /nfs/dbraw/zinc/36/25/66/356362566.db2.gz BSWOSVKNMXLDQQ-UHFFFAOYSA-N 1 2 225.279 0.954 20 0 BCADLO CCC(F)(F)C[N@@H+](C)CC(C)(CO)CO ZINC000639518801 356362567 /nfs/dbraw/zinc/36/25/67/356362567.db2.gz BSWOSVKNMXLDQQ-UHFFFAOYSA-N 1 2 225.279 0.954 20 0 BCADLO CC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000639525510 356372596 /nfs/dbraw/zinc/37/25/96/356372596.db2.gz YQMZSEGCNRWAQN-LBPRGKRZSA-N 1 2 220.272 0.566 20 0 BCADLO CCn1c(C)nnc1C[N@H+](CC)C[C@@H](C)O ZINC000352195624 134099092 /nfs/dbraw/zinc/09/90/92/134099092.db2.gz SAUAEIFFQSVBQL-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](CC)C[C@@H](C)O ZINC000352195624 134099093 /nfs/dbraw/zinc/09/90/93/134099093.db2.gz SAUAEIFFQSVBQL-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352196402 134099142 /nfs/dbraw/zinc/09/91/42/134099142.db2.gz YUFGNDKIABMWCO-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352196402 134099143 /nfs/dbraw/zinc/09/91/43/134099143.db2.gz YUFGNDKIABMWCO-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO NC(=O)[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270552322 181272231 /nfs/dbraw/zinc/27/22/31/181272231.db2.gz GNTZHBSLFWODDY-JTQLQIEISA-N 1 2 246.270 0.253 20 0 BCADLO CCO[C@H](CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271055 356385963 /nfs/dbraw/zinc/38/59/63/356385963.db2.gz RNTYRPMMPQTYLV-GXSJLCMTSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n(C)n1 ZINC000623271623 356389509 /nfs/dbraw/zinc/38/95/09/356389509.db2.gz DIRJRCAPMYWNNL-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO O=C(COC1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271926 356389874 /nfs/dbraw/zinc/38/98/74/356389874.db2.gz KOXGXMGGMYHZHF-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO CCC[C@H]1CN(CC(C)=O)CC[N@@H+]1CC(C)=O ZINC000639538730 356390449 /nfs/dbraw/zinc/39/04/49/356390449.db2.gz RQEZPKGMKBFISE-ZDUSSCGKSA-N 1 2 240.347 0.951 20 0 BCADLO CCC[C@H]1CN(CC(C)=O)CC[N@H+]1CC(C)=O ZINC000639538730 356390454 /nfs/dbraw/zinc/39/04/54/356390454.db2.gz RQEZPKGMKBFISE-ZDUSSCGKSA-N 1 2 240.347 0.951 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccon1 ZINC000623272227 356391589 /nfs/dbraw/zinc/39/15/89/356391589.db2.gz RCYMUIMRNVTGJH-ZETCQYMHSA-N 1 2 218.216 0.226 20 0 BCADLO O=C(CC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274373 356410097 /nfs/dbraw/zinc/41/00/97/356410097.db2.gz LDHGGAZQUGCZDB-SECBINFHSA-N 1 2 205.261 0.724 20 0 BCADLO CC(=O)CN(C)[C@@H]1CCC[N@H+](CC(C)=O)CC1 ZINC000639547075 356411025 /nfs/dbraw/zinc/41/10/25/356411025.db2.gz PVDPPJPGSJGBSU-CYBMUJFWSA-N 1 2 240.347 0.951 20 0 BCADLO CC(=O)CN(C)[C@@H]1CCC[N@@H+](CC(C)=O)CC1 ZINC000639547075 356411026 /nfs/dbraw/zinc/41/10/26/356411026.db2.gz PVDPPJPGSJGBSU-CYBMUJFWSA-N 1 2 240.347 0.951 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000368966162 181275047 /nfs/dbraw/zinc/27/50/47/181275047.db2.gz NHYBNIZGLVSSOT-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000368966162 181275048 /nfs/dbraw/zinc/27/50/48/181275048.db2.gz NHYBNIZGLVSSOT-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccon1 ZINC000368962918 181275754 /nfs/dbraw/zinc/27/57/54/181275754.db2.gz FSCRGACEWQAYSZ-GDPRMGEGSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccon1 ZINC000368962918 181275755 /nfs/dbraw/zinc/27/57/55/181275755.db2.gz FSCRGACEWQAYSZ-GDPRMGEGSA-N 1 2 235.287 0.760 20 0 BCADLO C[C@@H]([NH3+])CCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000420411347 192239761 /nfs/dbraw/zinc/23/97/61/192239761.db2.gz BSAOHWOXBNBZNE-PHDIDXHHSA-N 1 2 248.270 0.594 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)on1 ZINC000623277813 356424955 /nfs/dbraw/zinc/42/49/55/356424955.db2.gz FITFGDSLCCBESH-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO CCc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]n1 ZINC000623274832 356409368 /nfs/dbraw/zinc/40/93/68/356409368.db2.gz WDODKHAQFBPBNM-SECBINFHSA-N 1 2 245.286 0.523 20 0 BCADLO Cc1c[nH]cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274100 356409425 /nfs/dbraw/zinc/40/94/25/356409425.db2.gz DLZVEPINEKYMFO-SECBINFHSA-N 1 2 230.271 0.874 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623281981 356464367 /nfs/dbraw/zinc/46/43/67/356464367.db2.gz JGMHJTNOCHJPIG-MRVPVSSYSA-N 1 2 217.228 0.831 20 0 BCADLO C[C@H](C(F)(F)F)S(=O)(=O)NCC(C)(C)[NH3+] ZINC000420461237 192244537 /nfs/dbraw/zinc/24/45/37/192244537.db2.gz RVORZTXJDLKMCG-RXMQYKEDSA-N 1 2 248.270 0.594 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000352211900 134107819 /nfs/dbraw/zinc/10/78/19/134107819.db2.gz MITYGQVDABHVHI-LDYMZIIASA-N 1 2 235.287 0.656 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)no1 ZINC000623280030 356448185 /nfs/dbraw/zinc/44/81/85/356448185.db2.gz KWHRFZGGYJEUDU-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO Cc1cnc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623281805 356466543 /nfs/dbraw/zinc/46/65/43/356466543.db2.gz CEUCFAAIQBWOOM-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO Cc1cnc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623281806 356466901 /nfs/dbraw/zinc/46/69/01/356466901.db2.gz CEUCFAAIQBWOOM-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000578092086 366243448 /nfs/dbraw/zinc/24/34/48/366243448.db2.gz SVRUVSZFLWZRCC-VHSXEESVSA-N 1 2 223.276 0.256 20 0 BCADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313578 181277791 /nfs/dbraw/zinc/27/77/91/181277791.db2.gz XFINJBWCXYDUFH-QWRGUYRKSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](O)C1 ZINC000074313578 181277792 /nfs/dbraw/zinc/27/77/92/181277792.db2.gz XFINJBWCXYDUFH-QWRGUYRKSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1CCC(F)(F)F ZINC000358831955 181283256 /nfs/dbraw/zinc/28/32/56/181283256.db2.gz RINGTVDUNPEJKG-ZCFIWIBFSA-N 1 2 242.266 0.842 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1CCC(F)(F)F ZINC000358831955 181283258 /nfs/dbraw/zinc/28/32/58/181283258.db2.gz RINGTVDUNPEJKG-ZCFIWIBFSA-N 1 2 242.266 0.842 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000193007133 356493607 /nfs/dbraw/zinc/49/36/07/356493607.db2.gz UWAFZOKFFRHNMC-RKDXNWHRSA-N 1 2 225.296 0.257 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000639586482 356504763 /nfs/dbraw/zinc/50/47/63/356504763.db2.gz MADGKUCYCDYSLQ-JTQLQIEISA-N 1 2 225.292 0.111 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000639586482 356504766 /nfs/dbraw/zinc/50/47/66/356504766.db2.gz MADGKUCYCDYSLQ-JTQLQIEISA-N 1 2 225.292 0.111 20 0 BCADLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCO ZINC000623290136 356508535 /nfs/dbraw/zinc/50/85/35/356508535.db2.gz GYIDSKHZRCEKSS-VIFPVBQESA-N 1 2 220.272 0.822 20 0 BCADLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCO ZINC000623290136 356508540 /nfs/dbraw/zinc/50/85/40/356508540.db2.gz GYIDSKHZRCEKSS-VIFPVBQESA-N 1 2 220.272 0.822 20 0 BCADLO CC[NH+]1CCN(c2nc(COC)ns2)CC1 ZINC000301422270 356534126 /nfs/dbraw/zinc/53/41/26/356534126.db2.gz FPJCKXOUVJNWIV-UHFFFAOYSA-N 1 2 242.348 0.826 20 0 BCADLO COC[C@@H]1C[N@H+](CC(C)=O)C[C@H](C)O1 ZINC000639604337 356524535 /nfs/dbraw/zinc/52/45/35/356524535.db2.gz NVUHDBGACTXCPG-UWVGGRQHSA-N 1 2 201.266 0.311 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(C)=O)C[C@H](C)O1 ZINC000639604337 356524537 /nfs/dbraw/zinc/52/45/37/356524537.db2.gz NVUHDBGACTXCPG-UWVGGRQHSA-N 1 2 201.266 0.311 20 0 BCADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000420956280 192279925 /nfs/dbraw/zinc/27/99/25/192279925.db2.gz YUANPONIAFTDLS-OIBJUYFYSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000420956280 192279926 /nfs/dbraw/zinc/27/99/26/192279926.db2.gz YUANPONIAFTDLS-OIBJUYFYSA-N 1 2 229.711 0.886 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000639608736 356530806 /nfs/dbraw/zinc/53/08/06/356530806.db2.gz AOPRCWPULUQNTE-DTWKUNHWSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000639608736 356530809 /nfs/dbraw/zinc/53/08/09/356530809.db2.gz AOPRCWPULUQNTE-DTWKUNHWSA-N 1 2 223.263 0.707 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)no1 ZINC000623295472 356536790 /nfs/dbraw/zinc/53/67/90/356536790.db2.gz JOUAOVCDMAFWEY-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO CC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@@H](CC)O1 ZINC000420937876 192289495 /nfs/dbraw/zinc/28/94/95/192289495.db2.gz AHNNVIXVPMHYKR-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO CCn1ccnc1C[N@H+](C[C@@H](O)CO)C(C)C ZINC000421006623 192298113 /nfs/dbraw/zinc/29/81/13/192298113.db2.gz WIYWATUCLYHRPV-LLVKDONJSA-N 1 2 241.335 0.467 20 0 BCADLO CCn1ccnc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000421006623 192298116 /nfs/dbraw/zinc/29/81/16/192298116.db2.gz WIYWATUCLYHRPV-LLVKDONJSA-N 1 2 241.335 0.467 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000623297014 356547398 /nfs/dbraw/zinc/54/73/98/356547398.db2.gz VMVZGSVCPDCFJO-MWLCHTKSSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000623297012 356547802 /nfs/dbraw/zinc/54/78/02/356547802.db2.gz VMVZGSVCPDCFJO-GXSJLCMTSA-N 1 2 235.287 0.493 20 0 BCADLO CC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000639639256 356551240 /nfs/dbraw/zinc/55/12/40/356551240.db2.gz UJOBXSQKPSXZMF-SECBINFHSA-N 1 2 210.281 0.691 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615410124 366290378 /nfs/dbraw/zinc/29/03/78/366290378.db2.gz NENLYGAKCSZFMK-SECBINFHSA-N 1 2 249.314 0.762 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615410124 366290381 /nfs/dbraw/zinc/29/03/81/366290381.db2.gz NENLYGAKCSZFMK-SECBINFHSA-N 1 2 249.314 0.762 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615410125 366290476 /nfs/dbraw/zinc/29/04/76/366290476.db2.gz NENLYGAKCSZFMK-VIFPVBQESA-N 1 2 249.314 0.762 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615410125 366290477 /nfs/dbraw/zinc/29/04/77/366290477.db2.gz NENLYGAKCSZFMK-VIFPVBQESA-N 1 2 249.314 0.762 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299111 356556371 /nfs/dbraw/zinc/55/63/71/356556371.db2.gz QSDJFYYZHCFWLN-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421024192 192306690 /nfs/dbraw/zinc/30/66/90/192306690.db2.gz CEAZFHLMXMSSDV-ZYHUDNBSSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421024192 192306693 /nfs/dbraw/zinc/30/66/93/192306693.db2.gz CEAZFHLMXMSSDV-ZYHUDNBSSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CS1 ZINC000567510060 324962407 /nfs/dbraw/zinc/96/24/07/324962407.db2.gz UAONZNYIRAJSRJ-IUCAKERBSA-N 1 2 225.317 0.893 20 0 BCADLO C[C@H](C(N)=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053810971 363482733 /nfs/dbraw/zinc/48/27/33/363482733.db2.gz SQTRFYVDXKKMRI-LLVKDONJSA-N 1 2 248.330 0.073 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000053810971 363482742 /nfs/dbraw/zinc/48/27/42/363482742.db2.gz SQTRFYVDXKKMRI-LLVKDONJSA-N 1 2 248.330 0.073 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccn1 ZINC000336208745 134133527 /nfs/dbraw/zinc/13/35/27/134133527.db2.gz YUWCOMUBJUQWQU-KOLCDFICSA-N 1 2 210.252 0.986 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccn1 ZINC000336208745 134133528 /nfs/dbraw/zinc/13/35/28/134133528.db2.gz YUWCOMUBJUQWQU-KOLCDFICSA-N 1 2 210.252 0.986 20 0 BCADLO CC[C@H](CS(=O)(=O)Nc1cc[nH+]cc1)OC ZINC000421224996 192315932 /nfs/dbraw/zinc/31/59/32/192315932.db2.gz JPHUAHPMBYXZQI-SNVBAGLBSA-N 1 2 244.316 0.670 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCO1 ZINC000162732750 202051866 /nfs/dbraw/zinc/05/18/66/202051866.db2.gz YUDLWIOAUGMQAE-GHMZBOCLSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCO1 ZINC000162732750 202051868 /nfs/dbraw/zinc/05/18/68/202051868.db2.gz YUDLWIOAUGMQAE-GHMZBOCLSA-N 1 2 249.376 0.778 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000639677403 356593188 /nfs/dbraw/zinc/59/31/88/356593188.db2.gz OAXUTSFCQMQXJJ-VIFPVBQESA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000639677403 356593192 /nfs/dbraw/zinc/59/31/92/356593192.db2.gz OAXUTSFCQMQXJJ-VIFPVBQESA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000639677403 356593197 /nfs/dbraw/zinc/59/31/97/356593197.db2.gz OAXUTSFCQMQXJJ-VIFPVBQESA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000639677403 356593199 /nfs/dbraw/zinc/59/31/99/356593199.db2.gz OAXUTSFCQMQXJJ-VIFPVBQESA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000639677402 356593522 /nfs/dbraw/zinc/59/35/22/356593522.db2.gz OAXUTSFCQMQXJJ-SECBINFHSA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000639677402 356593524 /nfs/dbraw/zinc/59/35/24/356593524.db2.gz OAXUTSFCQMQXJJ-SECBINFHSA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000639677402 356593527 /nfs/dbraw/zinc/59/35/27/356593527.db2.gz OAXUTSFCQMQXJJ-SECBINFHSA-N 1 2 208.265 0.491 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000639677402 356593528 /nfs/dbraw/zinc/59/35/28/356593528.db2.gz OAXUTSFCQMQXJJ-SECBINFHSA-N 1 2 208.265 0.491 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1 ZINC000639663201 356577508 /nfs/dbraw/zinc/57/75/08/356577508.db2.gz ASRBKRPNYGSPJP-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1 ZINC000639663201 356577512 /nfs/dbraw/zinc/57/75/12/356577512.db2.gz ASRBKRPNYGSPJP-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639664500 356578572 /nfs/dbraw/zinc/57/85/72/356578572.db2.gz RBHIJRDXTNKNBN-ZJUUUORDSA-N 1 2 247.360 0.530 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000639664381 356578636 /nfs/dbraw/zinc/57/86/36/356578636.db2.gz QNRHFPVNNXLPED-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000639664381 356578638 /nfs/dbraw/zinc/57/86/38/356578638.db2.gz QNRHFPVNNXLPED-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cnns1 ZINC000623302447 356582275 /nfs/dbraw/zinc/58/22/75/356582275.db2.gz GWJSIMACBYPLJY-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccn(C)n1 ZINC000639671349 356587567 /nfs/dbraw/zinc/58/75/67/356587567.db2.gz PZWIGPPOLDDXHP-MRVPVSSYSA-N 1 2 210.281 0.159 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000623304366 356595595 /nfs/dbraw/zinc/59/55/95/356595595.db2.gz WVULCJTUGHDTIT-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639689271 356598851 /nfs/dbraw/zinc/59/88/51/356598851.db2.gz YQLCPVDVIDCVNV-LPEHRKFASA-N 1 2 241.335 0.062 20 0 BCADLO CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639689271 356598854 /nfs/dbraw/zinc/59/88/54/356598854.db2.gz YQLCPVDVIDCVNV-LPEHRKFASA-N 1 2 241.335 0.062 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000623304925 356598873 /nfs/dbraw/zinc/59/88/73/356598873.db2.gz IHNQQBBNVCDSME-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(O)CCC1 ZINC000623305515 356599514 /nfs/dbraw/zinc/59/95/14/356599514.db2.gz UGOQVLHOCZVHSS-VIFPVBQESA-N 1 2 235.287 0.229 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450155780 202088001 /nfs/dbraw/zinc/08/80/01/202088001.db2.gz BAIOUXMABYRZSH-ONGXEEELSA-N 1 2 236.271 0.442 20 0 BCADLO CC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639694777 356603635 /nfs/dbraw/zinc/60/36/35/356603635.db2.gz LYKZAFVPLICUNO-LPEHRKFASA-N 1 2 212.293 0.515 20 0 BCADLO CC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639694777 356603639 /nfs/dbraw/zinc/60/36/39/356603639.db2.gz LYKZAFVPLICUNO-LPEHRKFASA-N 1 2 212.293 0.515 20 0 BCADLO OCc1cc[nH+]c(N[C@@H]2COCC[C@H]2O)c1 ZINC000630093812 363531576 /nfs/dbraw/zinc/53/15/76/363531576.db2.gz QWDONOCOVBZWFA-NXEZZACHSA-N 1 2 224.260 0.136 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000582233749 356634661 /nfs/dbraw/zinc/63/46/61/356634661.db2.gz AKDYXEHAJBFMTG-PWSUYJOCSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC000582233749 356634663 /nfs/dbraw/zinc/63/46/63/356634663.db2.gz AKDYXEHAJBFMTG-PWSUYJOCSA-N 1 2 237.303 0.448 20 0 BCADLO FC(F)(F)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639729864 356623556 /nfs/dbraw/zinc/62/35/56/356623556.db2.gz ANZQXHOWWUCYGK-UHFFFAOYSA-N 1 2 249.240 0.879 20 0 BCADLO CCC(=O)CCC[N@H+](C)CC(=O)OC ZINC000450232577 202105024 /nfs/dbraw/zinc/10/50/24/202105024.db2.gz LKNHLVJMTHUHDA-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO CCC(=O)CCC[N@@H+](C)CC(=O)OC ZINC000450232577 202105027 /nfs/dbraw/zinc/10/50/27/202105027.db2.gz LKNHLVJMTHUHDA-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)S(C)(=O)=O ZINC000450288980 202121866 /nfs/dbraw/zinc/12/18/66/202121866.db2.gz RLNOUNCLHNDDRN-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)S(C)(=O)=O ZINC000450288980 202121869 /nfs/dbraw/zinc/12/18/69/202121869.db2.gz RLNOUNCLHNDDRN-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO c1nn[nH]c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000450265318 202113661 /nfs/dbraw/zinc/11/36/61/202113661.db2.gz JMRYNRSLPLOYGC-GFCCVEGCSA-N 1 2 235.335 0.865 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286016 202119438 /nfs/dbraw/zinc/11/94/38/202119438.db2.gz GSUJIQFUPWSIQV-UWVGGRQHSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H](C[N@H+]1C[C@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286016 202119440 /nfs/dbraw/zinc/11/94/40/202119440.db2.gz GSUJIQFUPWSIQV-UWVGGRQHSA-N 1 2 249.376 0.919 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H]2CCc3ncnn32)n1 ZINC000639748679 356642194 /nfs/dbraw/zinc/64/21/94/356642194.db2.gz FHAFDFKKJXFAGC-VIFPVBQESA-N 1 2 248.290 0.589 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H]2CCc3ncnn32)n1 ZINC000639748679 356642197 /nfs/dbraw/zinc/64/21/97/356642197.db2.gz FHAFDFKKJXFAGC-VIFPVBQESA-N 1 2 248.290 0.589 20 0 BCADLO C[C@@H](C[N@H+](C)C[C@H]1CCCCO1)S(C)(=O)=O ZINC000450288982 202120368 /nfs/dbraw/zinc/12/03/68/202120368.db2.gz RLNOUNCLHNDDRN-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](C[N@@H+](C)C[C@H]1CCCCO1)S(C)(=O)=O ZINC000450288982 202120372 /nfs/dbraw/zinc/12/03/72/202120372.db2.gz RLNOUNCLHNDDRN-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000450332525 202131591 /nfs/dbraw/zinc/13/15/91/202131591.db2.gz NRLXCRIWENDQQG-GFCCVEGCSA-N 1 2 245.319 0.600 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000450332525 202131594 /nfs/dbraw/zinc/13/15/94/202131594.db2.gz NRLXCRIWENDQQG-GFCCVEGCSA-N 1 2 245.319 0.600 20 0 BCADLO CN(C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000350655517 366318315 /nfs/dbraw/zinc/31/83/15/366318315.db2.gz DJYNHJITPIQIAO-UHFFFAOYSA-N 1 2 221.264 0.456 20 0 BCADLO CCC[C@@H](O)CN1CC[NH+](CCOCC)CC1 ZINC000450360411 202143432 /nfs/dbraw/zinc/14/34/32/202143432.db2.gz BBQIVBGJFVJRFH-CYBMUJFWSA-N 1 2 244.379 0.802 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000450384798 202148033 /nfs/dbraw/zinc/14/80/33/202148033.db2.gz BVSAUIBFCHLWRL-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000450384798 202148035 /nfs/dbraw/zinc/14/80/35/202148035.db2.gz BVSAUIBFCHLWRL-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000450429920 202155804 /nfs/dbraw/zinc/15/58/04/202155804.db2.gz OBBFNDOLMYMBGV-ISTVAULSSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000450429920 202155807 /nfs/dbraw/zinc/15/58/07/202155807.db2.gz OBBFNDOLMYMBGV-ISTVAULSSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@H+](CCOC)CC(=O)OC ZINC000450408969 202157452 /nfs/dbraw/zinc/15/74/52/202157452.db2.gz WDXXJGKAGZQNRZ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCC[C@H](O)C[N@@H+](CCOC)CC(=O)OC ZINC000450408969 202157454 /nfs/dbraw/zinc/15/74/54/202157454.db2.gz WDXXJGKAGZQNRZ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172297 363563425 /nfs/dbraw/zinc/56/34/25/363563425.db2.gz WBDXHLSKEJEVET-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172297 363563431 /nfs/dbraw/zinc/56/34/31/363563431.db2.gz WBDXHLSKEJEVET-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CNc1nc(N[C@H]2CCOC2)[nH+]c2ccccc21 ZINC000450412214 202157974 /nfs/dbraw/zinc/15/79/74/202157974.db2.gz YXMRHFGYAMRVNG-VIFPVBQESA-N 1 2 244.298 0.716 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)OC)[nH]1 ZINC000353216776 356708605 /nfs/dbraw/zinc/70/86/05/356708605.db2.gz GEBYHQGUWCAOKW-MRVPVSSYSA-N 1 2 212.297 0.834 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)OC)[nH]1 ZINC000353216776 356708606 /nfs/dbraw/zinc/70/86/06/356708606.db2.gz GEBYHQGUWCAOKW-MRVPVSSYSA-N 1 2 212.297 0.834 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCCO)[nH]1 ZINC000354864178 356745320 /nfs/dbraw/zinc/74/53/20/356745320.db2.gz UAHSXLYGIKAWMJ-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCCO)[nH]1 ZINC000354864178 356745323 /nfs/dbraw/zinc/74/53/23/356745323.db2.gz UAHSXLYGIKAWMJ-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000355089657 356750358 /nfs/dbraw/zinc/75/03/58/356750358.db2.gz RNJIUJUHBNWNBM-HTQZYQBOSA-N 1 2 210.281 0.180 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000355089657 356750360 /nfs/dbraw/zinc/75/03/60/356750360.db2.gz RNJIUJUHBNWNBM-HTQZYQBOSA-N 1 2 210.281 0.180 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NCC1CC1 ZINC000054343301 363567196 /nfs/dbraw/zinc/56/71/96/363567196.db2.gz MNLUKKLXCMNCMW-NEPJUHHUSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NCC1CC1 ZINC000054343301 363567202 /nfs/dbraw/zinc/56/72/02/363567202.db2.gz MNLUKKLXCMNCMW-NEPJUHHUSA-N 1 2 238.331 0.766 20 0 BCADLO CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088776992 356816392 /nfs/dbraw/zinc/81/63/92/356816392.db2.gz AJOYILWHYRMWNB-QMMMGPOBSA-N 1 2 229.305 0.549 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000639832116 356817442 /nfs/dbraw/zinc/81/74/42/356817442.db2.gz BMMBFLFUPQIWRW-LBPRGKRZSA-N 1 2 238.287 0.190 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000639832116 356817445 /nfs/dbraw/zinc/81/74/45/356817445.db2.gz BMMBFLFUPQIWRW-LBPRGKRZSA-N 1 2 238.287 0.190 20 0 BCADLO CO[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000639836791 356823586 /nfs/dbraw/zinc/82/35/86/356823586.db2.gz JMALAZNMAXRCLD-SNVBAGLBSA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@H]1C[N@H+](CCOC2CCOCC2)CCO1 ZINC000639835590 356825327 /nfs/dbraw/zinc/82/53/27/356825327.db2.gz GCHYBEBXMMKMQE-GFCCVEGCSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC2CCOCC2)CCO1 ZINC000639835590 356825329 /nfs/dbraw/zinc/82/53/29/356825329.db2.gz GCHYBEBXMMKMQE-GFCCVEGCSA-N 1 2 245.319 0.487 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000639835526 356825377 /nfs/dbraw/zinc/82/53/77/356825377.db2.gz CGELGVPDYAXWPP-WDEREUQCSA-N 1 2 233.308 0.079 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000639835526 356825379 /nfs/dbraw/zinc/82/53/79/356825379.db2.gz CGELGVPDYAXWPP-WDEREUQCSA-N 1 2 233.308 0.079 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCO1 ZINC000639838009 356828652 /nfs/dbraw/zinc/82/86/52/356828652.db2.gz TWPCJYLVZQXJNY-NSHDSACASA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCO1 ZINC000639838009 356828655 /nfs/dbraw/zinc/82/86/55/356828655.db2.gz TWPCJYLVZQXJNY-NSHDSACASA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639837230 356829469 /nfs/dbraw/zinc/82/94/69/356829469.db2.gz QDLDNJJZTYAXGT-LLVKDONJSA-N 1 2 223.276 0.324 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639837230 356829472 /nfs/dbraw/zinc/82/94/72/356829472.db2.gz QDLDNJJZTYAXGT-LLVKDONJSA-N 1 2 223.276 0.324 20 0 BCADLO C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000623370721 356876082 /nfs/dbraw/zinc/87/60/82/356876082.db2.gz XVVKXQQBSXYWPU-GXSJLCMTSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000623370721 356876085 /nfs/dbraw/zinc/87/60/85/356876085.db2.gz XVVKXQQBSXYWPU-GXSJLCMTSA-N 1 2 241.335 0.415 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1c1ncccn1)N1CCC1 ZINC000639843634 356839990 /nfs/dbraw/zinc/83/99/90/356839990.db2.gz TVRNCMTVGUCLFK-NSHDSACASA-N 1 2 246.314 0.846 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1c1ncccn1)N1CCC1 ZINC000639843634 356839992 /nfs/dbraw/zinc/83/99/92/356839992.db2.gz TVRNCMTVGUCLFK-NSHDSACASA-N 1 2 246.314 0.846 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352051782 538711213 /nfs/dbraw/zinc/71/12/13/538711213.db2.gz FLLWOFCKMDFBFL-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352051782 538711223 /nfs/dbraw/zinc/71/12/23/538711223.db2.gz FLLWOFCKMDFBFL-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000352052430 538714712 /nfs/dbraw/zinc/71/47/12/538714712.db2.gz KXLOWDVBHDEASY-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000352052430 538714721 /nfs/dbraw/zinc/71/47/21/538714721.db2.gz KXLOWDVBHDEASY-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC000354094521 538773184 /nfs/dbraw/zinc/77/31/84/538773184.db2.gz YDIUBPBNWQEXAJ-UHFFFAOYSA-N 1 2 238.291 0.065 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC000354094521 538773190 /nfs/dbraw/zinc/77/31/90/538773190.db2.gz YDIUBPBNWQEXAJ-UHFFFAOYSA-N 1 2 238.291 0.065 20 0 BCADLO Cn1ccnc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000582310126 357048788 /nfs/dbraw/zinc/04/87/88/357048788.db2.gz ZYTQKFPNSZHFMV-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO Cn1ccnc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000582310126 357048795 /nfs/dbraw/zinc/04/87/95/357048795.db2.gz ZYTQKFPNSZHFMV-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO C/C=C\CNC(=O)NCC[NH+]1CCOCC1 ZINC000623393836 357004893 /nfs/dbraw/zinc/00/48/93/357004893.db2.gz QMNUCMUZCHQPJJ-IHWYPQMZSA-N 1 2 227.308 0.194 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)CO ZINC000389627268 357005752 /nfs/dbraw/zinc/00/57/52/357005752.db2.gz KXNSYCVVOYBEFE-RKDXNWHRSA-N 1 2 211.265 0.016 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000156582710 538788461 /nfs/dbraw/zinc/78/84/61/538788461.db2.gz YCCWHXFYBWACAY-AEJSXWLSSA-N 1 2 223.276 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000156582710 538788464 /nfs/dbraw/zinc/78/84/64/538788464.db2.gz YCCWHXFYBWACAY-AEJSXWLSSA-N 1 2 223.276 0.581 20 0 BCADLO C[C@H](CO)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000355233429 538791250 /nfs/dbraw/zinc/79/12/50/538791250.db2.gz HWPXIKOYYXUBEW-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H](CO)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000355233429 538791256 /nfs/dbraw/zinc/79/12/56/538791256.db2.gz HWPXIKOYYXUBEW-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO Cc1cnn(CCC(=O)NCc2c[nH+]cn2C)c1 ZINC000355258296 538791413 /nfs/dbraw/zinc/79/14/13/538791413.db2.gz SMOXTAGCBMRVFX-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CO1 ZINC000355289732 538792952 /nfs/dbraw/zinc/79/29/52/538792952.db2.gz KNCRIPZTOAVJRV-RKDXNWHRSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)no1 ZINC000130933787 325103188 /nfs/dbraw/zinc/10/31/88/325103188.db2.gz IXTFRKPLDFZXNG-RKDXNWHRSA-N 1 2 238.291 0.512 20 0 BCADLO COCC[C@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354925463 538786636 /nfs/dbraw/zinc/78/66/36/538786636.db2.gz FXABWIRJCQVKPF-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354925463 538786638 /nfs/dbraw/zinc/78/66/38/538786638.db2.gz FXABWIRJCQVKPF-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354925463 538786641 /nfs/dbraw/zinc/78/66/41/538786641.db2.gz FXABWIRJCQVKPF-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354925463 538786643 /nfs/dbraw/zinc/78/66/43/538786643.db2.gz FXABWIRJCQVKPF-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO Cc1nnc(CC[NH2+][C@@H](C)c2nccn2C)[nH]1 ZINC000392334404 357149084 /nfs/dbraw/zinc/14/90/84/357149084.db2.gz FXHKDODTFIZIBH-QMMMGPOBSA-N 1 2 234.307 0.740 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000054547585 363574679 /nfs/dbraw/zinc/57/46/79/363574679.db2.gz GNXZGFTWQZJVKU-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105921 357155352 /nfs/dbraw/zinc/15/53/52/357155352.db2.gz JUTGWEYNZJXDKM-PHIMTYICSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105921 357155354 /nfs/dbraw/zinc/15/53/54/357155354.db2.gz JUTGWEYNZJXDKM-PHIMTYICSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H](CO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346832432 357161433 /nfs/dbraw/zinc/16/14/33/357161433.db2.gz ZYDIGPZOECIDSK-YUMQZZPRSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000346832432 357161437 /nfs/dbraw/zinc/16/14/37/357161437.db2.gz ZYDIGPZOECIDSK-YUMQZZPRSA-N 1 2 223.276 0.327 20 0 BCADLO CCOCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000041392670 357129137 /nfs/dbraw/zinc/12/91/37/357129137.db2.gz FQICEQBFWXNVEL-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCOCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000041392670 357129139 /nfs/dbraw/zinc/12/91/39/357129139.db2.gz FQICEQBFWXNVEL-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000356756703 538816322 /nfs/dbraw/zinc/81/63/22/538816322.db2.gz XYHNSYAGLKIRNZ-SECBINFHSA-N 1 2 211.265 0.461 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)nc(C)n1 ZINC000356804015 538817314 /nfs/dbraw/zinc/81/73/14/538817314.db2.gz XKXMUIORROUWRV-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356523996 538811273 /nfs/dbraw/zinc/81/12/73/538811273.db2.gz XPBYRUSYNBZXJC-QMMMGPOBSA-N 1 2 223.276 0.826 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356523996 538811285 /nfs/dbraw/zinc/81/12/85/538811285.db2.gz XPBYRUSYNBZXJC-QMMMGPOBSA-N 1 2 223.276 0.826 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000050052416 357281534 /nfs/dbraw/zinc/28/15/34/357281534.db2.gz FFSKGISZBQLVEM-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000050052416 357281537 /nfs/dbraw/zinc/28/15/37/357281537.db2.gz FFSKGISZBQLVEM-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000050052419 357281765 /nfs/dbraw/zinc/28/17/65/357281765.db2.gz FFSKGISZBQLVEM-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000050052419 357281768 /nfs/dbraw/zinc/28/17/68/357281768.db2.gz FFSKGISZBQLVEM-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H](C)O ZINC000386719740 357287511 /nfs/dbraw/zinc/28/75/11/357287511.db2.gz RRALEIHCCGJEMB-VXNVDRBHSA-N 1 2 235.291 0.935 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CCC[C@H]1CO ZINC000050114924 357378275 /nfs/dbraw/zinc/37/82/75/357378275.db2.gz JBTLJMPTPSUMSC-JTQLQIEISA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CCC[C@H]1CO ZINC000050114924 357378279 /nfs/dbraw/zinc/37/82/79/357378279.db2.gz JBTLJMPTPSUMSC-JTQLQIEISA-N 1 2 239.323 0.430 20 0 BCADLO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582601641 357348361 /nfs/dbraw/zinc/34/83/61/357348361.db2.gz QPIZCINEIGSCCP-JTQLQIEISA-N 1 2 241.291 0.204 20 0 BCADLO C[C@@H](CC(=O)NC[C@H](O)C(F)F)n1cc[nH+]c1 ZINC000582669250 357359210 /nfs/dbraw/zinc/35/92/10/357359210.db2.gz HHNVHZOXBDTDFE-YUMQZZPRSA-N 1 2 247.245 0.576 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000582771064 357385514 /nfs/dbraw/zinc/38/55/14/357385514.db2.gz CPPVWJOXCQIPQR-UHFFFAOYSA-N 1 2 244.298 0.883 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000582771064 357385518 /nfs/dbraw/zinc/38/55/18/357385518.db2.gz CPPVWJOXCQIPQR-UHFFFAOYSA-N 1 2 244.298 0.883 20 0 BCADLO CC[N@H+](CC(=O)NC(N)=O)Cc1ccoc1 ZINC000102409174 357388937 /nfs/dbraw/zinc/38/89/37/357388937.db2.gz QWUFRERPKGSLII-UHFFFAOYSA-N 1 2 225.248 0.296 20 0 BCADLO CC[N@@H+](CC(=O)NC(N)=O)Cc1ccoc1 ZINC000102409174 357388941 /nfs/dbraw/zinc/38/89/41/357388941.db2.gz QWUFRERPKGSLII-UHFFFAOYSA-N 1 2 225.248 0.296 20 0 BCADLO C[C@@H](CCCO)CNC(=O)Cn1cc[nH+]c1 ZINC000394958771 357401507 /nfs/dbraw/zinc/40/15/07/357401507.db2.gz CSBGWSRSPGRCCU-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000618701549 357405668 /nfs/dbraw/zinc/40/56/68/357405668.db2.gz JGRIMEIXJWUGQS-CMPLNLGQSA-N 1 2 235.287 0.378 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC(CO)C3)ccn12 ZINC000582915402 357434764 /nfs/dbraw/zinc/43/47/64/357434764.db2.gz NOUWPDJLLKFMEH-UHFFFAOYSA-N 1 2 245.282 0.707 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)[nH]1 ZINC000582913562 357435046 /nfs/dbraw/zinc/43/50/46/357435046.db2.gz MKCXONQKNJDXBF-SECBINFHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)[nH]1 ZINC000582913562 357435050 /nfs/dbraw/zinc/43/50/50/357435050.db2.gz MKCXONQKNJDXBF-SECBINFHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc(NC(=O)C[N@H+]2CC[C@@H](C)C2)n[nH]1 ZINC000582973274 357448976 /nfs/dbraw/zinc/44/89/76/357448976.db2.gz UEVNWWQVMAGVKH-SSDOTTSWSA-N 1 2 223.280 0.393 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)n[nH]1 ZINC000582973274 357448977 /nfs/dbraw/zinc/44/89/77/357448977.db2.gz UEVNWWQVMAGVKH-SSDOTTSWSA-N 1 2 223.280 0.393 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC000582973274 357448980 /nfs/dbraw/zinc/44/89/80/357448980.db2.gz UEVNWWQVMAGVKH-SSDOTTSWSA-N 1 2 223.280 0.393 20 0 BCADLO CCOC(=O)CC[NH+]1CCN(C(=O)OC)CC1 ZINC000055059670 363584825 /nfs/dbraw/zinc/58/48/25/363584825.db2.gz OQMXRPDCRXVRDP-UHFFFAOYSA-N 1 2 244.291 0.324 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1ccn(C)n1)C1CC1 ZINC000230875456 357575910 /nfs/dbraw/zinc/57/59/10/357575910.db2.gz SQNDODIFYOVLRD-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO Cc1c[nH]c(NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000583213196 357555976 /nfs/dbraw/zinc/55/59/76/357555976.db2.gz ZZQIODKJIQBRGV-UHFFFAOYSA-N 1 2 219.248 0.931 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000188536331 357559663 /nfs/dbraw/zinc/55/96/63/357559663.db2.gz NMIMCNZVOKFUJR-MXWKQRLJSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000188536331 357559666 /nfs/dbraw/zinc/55/96/66/357559666.db2.gz NMIMCNZVOKFUJR-MXWKQRLJSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000188536281 357559674 /nfs/dbraw/zinc/55/96/74/357559674.db2.gz NMIMCNZVOKFUJR-GMTAPVOTSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000188536281 357559677 /nfs/dbraw/zinc/55/96/77/357559677.db2.gz NMIMCNZVOKFUJR-GMTAPVOTSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCN(C)C(=O)C2)O1 ZINC000188555065 357561757 /nfs/dbraw/zinc/56/17/57/357561757.db2.gz WDBMVGJNTBHQTJ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCN(C)C(=O)C2)O1 ZINC000188555065 357561758 /nfs/dbraw/zinc/56/17/58/357561758.db2.gz WDBMVGJNTBHQTJ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2nccc21 ZINC000583214833 357564849 /nfs/dbraw/zinc/56/48/49/357564849.db2.gz YUAVAYDFRADAPK-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2nccc21 ZINC000583214833 357564853 /nfs/dbraw/zinc/56/48/53/357564853.db2.gz YUAVAYDFRADAPK-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO Cc1cccc(CCNc2nccc(CO)n2)[nH+]1 ZINC000359848998 538859115 /nfs/dbraw/zinc/85/91/15/538859115.db2.gz RRKUDAATECUHNR-UHFFFAOYSA-N 1 2 244.298 0.749 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599010 325205693 /nfs/dbraw/zinc/20/56/93/325205693.db2.gz KCVHXYRNZQGLEF-WDEREUQCSA-N 1 2 227.352 0.537 20 0 BCADLO CCCN1CCC[N@@H+]([C@H](CC)C(N)=O)CC1=O ZINC000189428023 357640937 /nfs/dbraw/zinc/64/09/37/357640937.db2.gz NXNWKSMTZFLKTG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CCCN1CCC[N@H+]([C@H](CC)C(N)=O)CC1=O ZINC000189428023 357640941 /nfs/dbraw/zinc/64/09/41/357640941.db2.gz NXNWKSMTZFLKTG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(N)=O)c1C ZINC000639921453 357660900 /nfs/dbraw/zinc/66/09/00/357660900.db2.gz WKHFFRNJEGNJNY-JTQLQIEISA-N 1 2 238.335 0.825 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(N)=O)c1C ZINC000639921453 357660905 /nfs/dbraw/zinc/66/09/05/357660905.db2.gz WKHFFRNJEGNJNY-JTQLQIEISA-N 1 2 238.335 0.825 20 0 BCADLO Cc1cncc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000189974402 357678661 /nfs/dbraw/zinc/67/86/61/357678661.db2.gz HJFPUBLRMKYPJR-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO CCCN1CCC[N@H+](CC(=O)N(C)C)CC1=O ZINC000189382206 357635262 /nfs/dbraw/zinc/63/52/62/357635262.db2.gz RBASIFZGGBHADD-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCCN1CCC[N@@H+](CC(=O)N(C)C)CC1=O ZINC000189382206 357635265 /nfs/dbraw/zinc/63/52/65/357635265.db2.gz RBASIFZGGBHADD-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO COC[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000189396820 357636476 /nfs/dbraw/zinc/63/64/76/357636476.db2.gz AEWJVBVOLANEFF-SECBINFHSA-N 1 2 239.262 0.615 20 0 BCADLO COC[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000189396820 357636479 /nfs/dbraw/zinc/63/64/79/357636479.db2.gz AEWJVBVOLANEFF-SECBINFHSA-N 1 2 239.262 0.615 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000189480885 357637409 /nfs/dbraw/zinc/63/74/09/357637409.db2.gz KIIPBBDJQBSFCY-GHMZBOCLSA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000189480885 357637412 /nfs/dbraw/zinc/63/74/12/357637412.db2.gz KIIPBBDJQBSFCY-GHMZBOCLSA-N 1 2 244.335 0.247 20 0 BCADLO CC(C)OCC(=O)N(C)Cc1[nH+]ccn1C ZINC000064178898 357725942 /nfs/dbraw/zinc/72/59/42/357725942.db2.gz JGEKEXDBATVNBG-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1cc(N2C[C@H](O)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000232763054 357680598 /nfs/dbraw/zinc/68/05/98/357680598.db2.gz NBCVKXXPLKSIDW-UWVGGRQHSA-N 1 2 237.303 0.450 20 0 BCADLO CSC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000190097358 357683356 /nfs/dbraw/zinc/68/33/56/357683356.db2.gz LMHLHJLKZKQBMX-UHFFFAOYSA-N 1 2 225.317 0.895 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191061596 357745840 /nfs/dbraw/zinc/74/58/40/357745840.db2.gz LGZCBQFDIQARLU-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191061596 357745843 /nfs/dbraw/zinc/74/58/43/357745843.db2.gz LGZCBQFDIQARLU-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO Cc1cc(C[N@H+]2CCCN(C)C(=O)C2)on1 ZINC000191125140 357751726 /nfs/dbraw/zinc/75/17/26/357751726.db2.gz WHCSOHVBZAXKDX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cc(C[N@@H+]2CCCN(C)C(=O)C2)on1 ZINC000191125140 357751731 /nfs/dbraw/zinc/75/17/31/357751731.db2.gz WHCSOHVBZAXKDX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)[nH]1 ZINC000583264368 357756225 /nfs/dbraw/zinc/75/62/25/357756225.db2.gz JXZXMIBIGCLSST-QMMMGPOBSA-N 1 2 244.245 0.397 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191211319 357758285 /nfs/dbraw/zinc/75/82/85/357758285.db2.gz DNGODMIVCLACOS-ATZCPNFKSA-N 1 2 240.303 0.006 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191211319 357758286 /nfs/dbraw/zinc/75/82/86/357758286.db2.gz DNGODMIVCLACOS-ATZCPNFKSA-N 1 2 240.303 0.006 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191478870 357773195 /nfs/dbraw/zinc/77/31/95/357773195.db2.gz LHGVTQHWKPANRK-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191478870 357773198 /nfs/dbraw/zinc/77/31/98/357773198.db2.gz LHGVTQHWKPANRK-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO CC[C@](C)(OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000234115491 357775022 /nfs/dbraw/zinc/77/50/22/357775022.db2.gz CAWGHLMEDUREKO-NSHDSACASA-N 1 2 225.292 0.884 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2ccsc2n1 ZINC000191721176 357792115 /nfs/dbraw/zinc/79/21/15/357792115.db2.gz FIFLVTDDIVMCFY-UHFFFAOYSA-N 1 2 238.316 0.703 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2ccsc2n1 ZINC000191721176 357792117 /nfs/dbraw/zinc/79/21/17/357792117.db2.gz FIFLVTDDIVMCFY-UHFFFAOYSA-N 1 2 238.316 0.703 20 0 BCADLO CCCC[C@H](COC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191961943 357807012 /nfs/dbraw/zinc/80/70/12/357807012.db2.gz FJOIGJRWZGMTAY-MXWKQRLJSA-N 1 2 247.335 0.704 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCOCC(C)C)CCO1 ZINC000234551490 357811518 /nfs/dbraw/zinc/81/15/18/357811518.db2.gz HPXQSYZAJLLQKC-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCOCC(C)C)CCO1 ZINC000234551490 357811522 /nfs/dbraw/zinc/81/15/22/357811522.db2.gz HPXQSYZAJLLQKC-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO CN1CCCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000191669025 357781740 /nfs/dbraw/zinc/78/17/40/357781740.db2.gz LVQWWPBVVGNJAP-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CCN1CN(CCn2cc[nH+]c2)CC1=O ZINC000191547347 357784785 /nfs/dbraw/zinc/78/47/85/357784785.db2.gz CERMHIBNZFQSFK-UHFFFAOYSA-N 1 2 208.265 0.005 20 0 BCADLO Cn1nnc(C[NH2+]C[C@H](O)CC2CCCC2)n1 ZINC000398077615 357827584 /nfs/dbraw/zinc/82/75/84/357827584.db2.gz IZUFXFQAXGGXMG-SNVBAGLBSA-N 1 2 239.323 0.241 20 0 BCADLO CC1(C)COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000064517849 357849671 /nfs/dbraw/zinc/84/96/71/357849671.db2.gz GNGIJQKCDSXZNR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC1(C)COCC[N@H+]1CC(=O)N1CCCC1 ZINC000064517849 357849673 /nfs/dbraw/zinc/84/96/73/357849673.db2.gz GNGIJQKCDSXZNR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517807 357849895 /nfs/dbraw/zinc/84/98/95/357849895.db2.gz HBVCXXOCESBWGL-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000064517807 357849898 /nfs/dbraw/zinc/84/98/98/357849898.db2.gz HBVCXXOCESBWGL-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000193312342 357874910 /nfs/dbraw/zinc/87/49/10/357874910.db2.gz JLGNRPQOVPDIHM-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000193312342 357874915 /nfs/dbraw/zinc/87/49/15/357874915.db2.gz JLGNRPQOVPDIHM-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000193135110 357876045 /nfs/dbraw/zinc/87/60/45/357876045.db2.gz PDTMJIAUOBPPCM-JTQLQIEISA-N 1 2 245.286 0.179 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000193135110 357876048 /nfs/dbraw/zinc/87/60/48/357876048.db2.gz PDTMJIAUOBPPCM-JTQLQIEISA-N 1 2 245.286 0.179 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000584391750 357883851 /nfs/dbraw/zinc/88/38/51/357883851.db2.gz HDFNHBDVHFLYQW-JTQLQIEISA-N 1 2 244.360 0.648 20 0 BCADLO CCC(=O)CCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000584391750 357883854 /nfs/dbraw/zinc/88/38/54/357883854.db2.gz HDFNHBDVHFLYQW-JTQLQIEISA-N 1 2 244.360 0.648 20 0 BCADLO CC(C)CC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000583317343 357900086 /nfs/dbraw/zinc/90/00/86/357900086.db2.gz DZZIMXWKVXYYFC-VIFPVBQESA-N 1 2 227.312 0.097 20 0 BCADLO CC(C)(C)c1cc(C[NH2+]C(CO)CO)no1 ZINC000584419058 357916313 /nfs/dbraw/zinc/91/63/13/357916313.db2.gz TXXHBYUFZSUAGG-UHFFFAOYSA-N 1 2 228.292 0.415 20 0 BCADLO COCCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000583808943 357955293 /nfs/dbraw/zinc/95/52/93/357955293.db2.gz SECJKAPZCRTLJA-MRVPVSSYSA-N 1 2 229.305 0.296 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(O)c1 ZINC000168648792 134238318 /nfs/dbraw/zinc/23/83/18/134238318.db2.gz IJCNKCUHBXJOGP-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(O)c1 ZINC000168648792 134238319 /nfs/dbraw/zinc/23/83/19/134238319.db2.gz IJCNKCUHBXJOGP-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO CCc1noc(C[NH2+][C@](C)(CO)COC)n1 ZINC000639950346 357973264 /nfs/dbraw/zinc/97/32/64/357973264.db2.gz WWOXGEMJZCSUKC-SNVBAGLBSA-N 1 2 229.280 0.119 20 0 BCADLO CCc1cnc(C[NH2+][C@@](C)(CO)COC)o1 ZINC000639956142 357978033 /nfs/dbraw/zinc/97/80/33/357978033.db2.gz UWMUJKINCSGDHL-NSHDSACASA-N 1 2 228.292 0.724 20 0 BCADLO CO[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000055542332 363594898 /nfs/dbraw/zinc/59/48/98/363594898.db2.gz QUSBHCJWYLUKOU-VIFPVBQESA-N 1 2 233.271 0.985 20 0 BCADLO Cn1nccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639966969 358021099 /nfs/dbraw/zinc/02/10/99/358021099.db2.gz FQGRLLFBTJSXCC-QMMMGPOBSA-N 1 2 246.274 0.363 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000639971744 358030709 /nfs/dbraw/zinc/03/07/09/358030709.db2.gz HEDKTJKJVQIBMB-LLVKDONJSA-N 1 2 246.318 0.929 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000639971744 358030713 /nfs/dbraw/zinc/03/07/13/358030713.db2.gz HEDKTJKJVQIBMB-LLVKDONJSA-N 1 2 246.318 0.929 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1cn[nH]c1C)OC ZINC000639972570 358031037 /nfs/dbraw/zinc/03/10/37/358031037.db2.gz VXKIVRKTCRFWTQ-LLVKDONJSA-N 1 2 227.308 0.811 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1cn[nH]c1C)OC ZINC000639972570 358031041 /nfs/dbraw/zinc/03/10/41/358031041.db2.gz VXKIVRKTCRFWTQ-LLVKDONJSA-N 1 2 227.308 0.811 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1cnn(C)c1 ZINC000584541848 358049897 /nfs/dbraw/zinc/04/98/97/358049897.db2.gz DHYMBLYMVRVESM-UHFFFAOYSA-N 1 2 249.274 0.181 20 0 BCADLO CO[C@@H]1C[N@H+](CC(F)F)[C@@](C)(CO)C1 ZINC000640004549 358054916 /nfs/dbraw/zinc/05/49/16/358054916.db2.gz SHFUXPBORXFJLR-IONNQARKSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@@H]1C[N@@H+](CC(F)F)[C@@](C)(CO)C1 ZINC000640004549 358054918 /nfs/dbraw/zinc/05/49/18/358054918.db2.gz SHFUXPBORXFJLR-IONNQARKSA-N 1 2 209.236 0.723 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000584563370 358063758 /nfs/dbraw/zinc/06/37/58/358063758.db2.gz FUURRUFFQYNPOW-NEPJUHHUSA-N 1 2 249.314 0.911 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(-c2ncc[nH]2)no1 ZINC000350408765 358066346 /nfs/dbraw/zinc/06/63/46/358066346.db2.gz RGODDUZYXLRBTJ-UHFFFAOYSA-N 1 2 230.231 0.784 20 0 BCADLO COC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000170491022 134254478 /nfs/dbraw/zinc/25/44/78/134254478.db2.gz XKLNBQVSCYSDTQ-UHFFFAOYSA-N 1 2 236.275 0.673 20 0 BCADLO CNC(=O)CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000053148341 358106031 /nfs/dbraw/zinc/10/60/31/358106031.db2.gz QLUUOSSGZCLUTO-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CCOC(=O)CN(C)Cc1[nH+]ccn1CC ZINC000052345185 358157948 /nfs/dbraw/zinc/15/79/48/358157948.db2.gz OHOWISXVHKMWBE-UHFFFAOYSA-N 1 2 225.292 0.898 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2C[C@@H](F)[C@@H](F)C2)C1 ZINC000584728990 358168086 /nfs/dbraw/zinc/16/80/86/358168086.db2.gz BJSQNJUHXWTSMI-DTORHVGOSA-N 1 2 232.274 0.847 20 0 BCADLO CCn1ncnc1C[NH2+]C(C)(C)C(=O)N(C)C ZINC000584731765 358168759 /nfs/dbraw/zinc/16/87/59/358168759.db2.gz IXSOAEZFSOGLIZ-UHFFFAOYSA-N 1 2 239.323 0.254 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584810974 358183770 /nfs/dbraw/zinc/18/37/70/358183770.db2.gz WMDIJOOWMOSQMA-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000584810974 358183772 /nfs/dbraw/zinc/18/37/72/358183772.db2.gz WMDIJOOWMOSQMA-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584810975 358183902 /nfs/dbraw/zinc/18/39/02/358183902.db2.gz WMDIJOOWMOSQMA-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000584810975 358183905 /nfs/dbraw/zinc/18/39/05/358183905.db2.gz WMDIJOOWMOSQMA-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO COCC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610828730 358210311 /nfs/dbraw/zinc/21/03/11/358210311.db2.gz LNBYNUNFTPRLPL-SNVBAGLBSA-N 1 2 233.308 0.531 20 0 BCADLO COCC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610828730 358210315 /nfs/dbraw/zinc/21/03/15/358210315.db2.gz LNBYNUNFTPRLPL-SNVBAGLBSA-N 1 2 233.308 0.531 20 0 BCADLO CC[C@@H](O)C[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829184 358210774 /nfs/dbraw/zinc/21/07/74/358210774.db2.gz VRLQBXCFKQQHHN-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829184 358210776 /nfs/dbraw/zinc/21/07/76/358210776.db2.gz VRLQBXCFKQQHHN-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO Cc1nc(C)c(CNCC[N@@H+]2CC[C@@H](O)C2)o1 ZINC000628465102 358228061 /nfs/dbraw/zinc/22/80/61/358228061.db2.gz SSYKXLPDPHNZPV-LLVKDONJSA-N 1 2 239.319 0.448 20 0 BCADLO Cc1nc(C)c(CNCC[N@H+]2CC[C@@H](O)C2)o1 ZINC000628465102 358228062 /nfs/dbraw/zinc/22/80/62/358228062.db2.gz SSYKXLPDPHNZPV-LLVKDONJSA-N 1 2 239.319 0.448 20 0 BCADLO CC(C)[C@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450692311 202234634 /nfs/dbraw/zinc/23/46/34/202234634.db2.gz ABXLWCJSYSZQFI-GHMZBOCLSA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)[C@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450692311 202234636 /nfs/dbraw/zinc/23/46/36/202234636.db2.gz ABXLWCJSYSZQFI-GHMZBOCLSA-N 1 2 249.376 0.776 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000450743981 202253964 /nfs/dbraw/zinc/25/39/64/202253964.db2.gz KGPRNZDSHGCXNE-UHFFFAOYSA-N 1 2 222.292 0.807 20 0 BCADLO c1nn[nH]c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000450743981 202253967 /nfs/dbraw/zinc/25/39/67/202253967.db2.gz KGPRNZDSHGCXNE-UHFFFAOYSA-N 1 2 222.292 0.807 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000450743981 202253969 /nfs/dbraw/zinc/25/39/69/202253969.db2.gz KGPRNZDSHGCXNE-UHFFFAOYSA-N 1 2 222.292 0.807 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000450743981 202253972 /nfs/dbraw/zinc/25/39/72/202253972.db2.gz KGPRNZDSHGCXNE-UHFFFAOYSA-N 1 2 222.292 0.807 20 0 BCADLO Cn1c(N)nnc1SCCn1cc[nH+]c1 ZINC000042583691 358352612 /nfs/dbraw/zinc/35/26/12/358352612.db2.gz MVCPVOSCOKAGLR-UHFFFAOYSA-N 1 2 224.293 0.386 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CCCO1 ZINC000134817978 325377945 /nfs/dbraw/zinc/37/79/45/325377945.db2.gz GUHRNTSIIMCZKQ-SSDOTTSWSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CCCO1 ZINC000134817978 325377947 /nfs/dbraw/zinc/37/79/47/325377947.db2.gz GUHRNTSIIMCZKQ-SSDOTTSWSA-N 1 2 224.264 0.658 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCCc1cnn(C)c1 ZINC000104690355 358334820 /nfs/dbraw/zinc/33/48/20/358334820.db2.gz JGHZZGQTXYHVAA-SNVBAGLBSA-N 1 2 236.319 0.173 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCc1cnn(C)c1 ZINC000104690355 358334824 /nfs/dbraw/zinc/33/48/24/358334824.db2.gz JGHZZGQTXYHVAA-SNVBAGLBSA-N 1 2 236.319 0.173 20 0 BCADLO O=S(=O)(C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173715372 134274573 /nfs/dbraw/zinc/27/45/73/134274573.db2.gz MYDSTFRSQTZHBJ-JTQLQIEISA-N 1 2 244.360 0.649 20 0 BCADLO O=S(=O)(C1CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000173715372 134274574 /nfs/dbraw/zinc/27/45/74/134274574.db2.gz MYDSTFRSQTZHBJ-JTQLQIEISA-N 1 2 244.360 0.649 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000173753045 134275130 /nfs/dbraw/zinc/27/51/30/134275130.db2.gz DZZNZBPVTYVCNE-UHFFFAOYSA-N 1 2 242.319 0.539 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000173753045 134275131 /nfs/dbraw/zinc/27/51/31/134275131.db2.gz DZZNZBPVTYVCNE-UHFFFAOYSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000228852903 358386348 /nfs/dbraw/zinc/38/63/48/358386348.db2.gz WGJWHEYRLXYVTR-XHNCKOQMSA-N 1 2 215.293 0.687 20 0 BCADLO CCn1cnnc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000230754213 358410665 /nfs/dbraw/zinc/41/06/65/358410665.db2.gz JLPZOYNLOFVXLZ-LURJTMIESA-N 1 2 238.213 0.311 20 0 BCADLO C[C@H]1CN(C(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173962020 134277107 /nfs/dbraw/zinc/27/71/07/134277107.db2.gz BWJNJQIRXDXLKO-QWRGUYRKSA-N 1 2 241.335 0.321 20 0 BCADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)C[C@H]1F ZINC000399498939 358450285 /nfs/dbraw/zinc/45/02/85/358450285.db2.gz XGXDMOCDGUDRAO-XCBNKYQSSA-N 1 2 211.240 0.817 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cocn1 ZINC000104823760 358425601 /nfs/dbraw/zinc/42/56/01/358425601.db2.gz VKDLKXLETXSIOG-UHFFFAOYSA-N 1 2 220.232 0.691 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008914 358431123 /nfs/dbraw/zinc/43/11/23/358431123.db2.gz NSXDPFVDECOOBE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008914 358431124 /nfs/dbraw/zinc/43/11/24/358431124.db2.gz NSXDPFVDECOOBE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008914 358431126 /nfs/dbraw/zinc/43/11/26/358431126.db2.gz NSXDPFVDECOOBE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000611008914 358431127 /nfs/dbraw/zinc/43/11/27/358431127.db2.gz NSXDPFVDECOOBE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CN(C)c1nc(N)nc(C[NH+]2CCCC2)n1 ZINC000027271089 358439910 /nfs/dbraw/zinc/43/99/10/358439910.db2.gz JXLDVPBMSJTEOL-UHFFFAOYSA-N 1 2 222.296 0.116 20 0 BCADLO CS[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000611050655 358550235 /nfs/dbraw/zinc/55/02/35/358550235.db2.gz GAQHKWWMZUGFSZ-QMMMGPOBSA-N 1 2 213.306 0.751 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCCc2c[nH+]cn2C)C1(F)F ZINC000547804143 325400589 /nfs/dbraw/zinc/40/05/89/325400589.db2.gz TZDJAAGNBCVBIK-APPZFPTMSA-N 1 2 243.257 0.980 20 0 BCADLO CN1CC[N@H+](Cc2cccc3c2NCC3)CC1=O ZINC000130571383 358632496 /nfs/dbraw/zinc/63/24/96/358632496.db2.gz YPQFQDJXBUGSHO-UHFFFAOYSA-N 1 2 245.326 0.929 20 0 BCADLO CN1CC[N@@H+](Cc2cccc3c2NCC3)CC1=O ZINC000130571383 358632497 /nfs/dbraw/zinc/63/24/97/358632497.db2.gz YPQFQDJXBUGSHO-UHFFFAOYSA-N 1 2 245.326 0.929 20 0 BCADLO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000174996548 134283871 /nfs/dbraw/zinc/28/38/71/134283871.db2.gz XYAMGYPVNIBKGG-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000047601337 358597068 /nfs/dbraw/zinc/59/70/68/358597068.db2.gz OLABLHSNSYKONK-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000048665329 358646581 /nfs/dbraw/zinc/64/65/81/358646581.db2.gz QVXHQKYIAUXMLZ-UHFFFAOYSA-N 1 2 225.273 0.384 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOCC1(C)C ZINC000130861680 358650914 /nfs/dbraw/zinc/65/09/14/358650914.db2.gz HKQMHZFKSSKKLW-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCOCC1(C)C ZINC000130861680 358650918 /nfs/dbraw/zinc/65/09/18/358650918.db2.gz HKQMHZFKSSKKLW-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132039411 358704732 /nfs/dbraw/zinc/70/47/32/358704732.db2.gz DJDJXCZFKMLOHJ-FXPVBKGRSA-N 1 2 219.288 0.970 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](C)CO)n1C1CC1 ZINC000132044408 358705845 /nfs/dbraw/zinc/70/58/45/358705845.db2.gz OGDHZOPFFFTVSX-MRVPVSSYSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](C)CO)n1C1CC1 ZINC000132044408 358705847 /nfs/dbraw/zinc/70/58/47/358705847.db2.gz OGDHZOPFFFTVSX-MRVPVSSYSA-N 1 2 224.308 0.734 20 0 BCADLO CCC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000050065770 358711734 /nfs/dbraw/zinc/71/17/34/358711734.db2.gz RDSBBSUSEOHRGR-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000050065770 358711735 /nfs/dbraw/zinc/71/17/35/358711735.db2.gz RDSBBSUSEOHRGR-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000050065770 358711736 /nfs/dbraw/zinc/71/17/36/358711736.db2.gz RDSBBSUSEOHRGR-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CC(C)CNC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000050419581 358729773 /nfs/dbraw/zinc/72/97/73/358729773.db2.gz PMBHSMAVLHRMKG-SECBINFHSA-N 1 2 239.323 0.238 20 0 BCADLO CCOC(=O)CCCC[NH+]1CCS(=O)CC1 ZINC000132933134 358740450 /nfs/dbraw/zinc/74/04/50/358740450.db2.gz UEMSZIVPYMQTMR-UHFFFAOYSA-N 1 2 247.360 0.784 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1CC1 ZINC000052106357 358773322 /nfs/dbraw/zinc/77/33/22/358773322.db2.gz XVNYYOFXFRYBFS-UHFFFAOYSA-N 1 2 207.281 0.850 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1CC1 ZINC000052106357 358773323 /nfs/dbraw/zinc/77/33/23/358773323.db2.gz XVNYYOFXFRYBFS-UHFFFAOYSA-N 1 2 207.281 0.850 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000134000949 358775559 /nfs/dbraw/zinc/77/55/59/358775559.db2.gz INXNSOGAQPXYCU-NTZNESFSSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000134000949 358775561 /nfs/dbraw/zinc/77/55/61/358775561.db2.gz INXNSOGAQPXYCU-NTZNESFSSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cc[nH]c(=O)c1 ZINC000134051019 358778196 /nfs/dbraw/zinc/77/81/96/358778196.db2.gz FCFLHNOUSKHWQH-UHFFFAOYSA-N 1 2 231.211 0.728 20 0 BCADLO O=C(Nc1nncs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135939934 358857509 /nfs/dbraw/zinc/85/75/09/358857509.db2.gz UKSVPWXBBPXDFG-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000177108399 134295850 /nfs/dbraw/zinc/29/58/50/134295850.db2.gz YGOSDQRKDMVXPC-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000177108399 134295851 /nfs/dbraw/zinc/29/58/51/134295851.db2.gz YGOSDQRKDMVXPC-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CCOC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135512479 358842011 /nfs/dbraw/zinc/84/20/11/358842011.db2.gz GEKALKJURVOJGI-VHSXEESVSA-N 1 2 245.344 0.756 20 0 BCADLO CCOC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135512479 358842014 /nfs/dbraw/zinc/84/20/14/358842014.db2.gz GEKALKJURVOJGI-VHSXEESVSA-N 1 2 245.344 0.756 20 0 BCADLO CCOC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135512455 358842259 /nfs/dbraw/zinc/84/22/59/358842259.db2.gz GEKALKJURVOJGI-UWVGGRQHSA-N 1 2 245.344 0.756 20 0 BCADLO CCOC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135512455 358842263 /nfs/dbraw/zinc/84/22/63/358842263.db2.gz GEKALKJURVOJGI-UWVGGRQHSA-N 1 2 245.344 0.756 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCOCC1 ZINC000059322169 358919043 /nfs/dbraw/zinc/91/90/43/358919043.db2.gz FZUDIQILHUMPKA-SNVBAGLBSA-N 1 2 238.291 0.313 20 0 BCADLO C[NH+](C)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351366727 366518591 /nfs/dbraw/zinc/51/85/91/366518591.db2.gz HMGDWTQEXIAGQS-UHFFFAOYSA-N 1 2 221.220 0.294 20 0 BCADLO COCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000055234220 358884251 /nfs/dbraw/zinc/88/42/51/358884251.db2.gz PTKODKCZMIKGBF-UHFFFAOYSA-N 1 2 233.271 0.639 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)n1cncn1)c1[nH]cc[nH+]1 ZINC000140513254 358922633 /nfs/dbraw/zinc/92/26/33/358922633.db2.gz IHIUKVINXVAHHD-IUCAKERBSA-N 1 2 248.290 0.830 20 0 BCADLO CC[C@@H](NC(=O)CCn1cncn1)c1[nH]cc[nH+]1 ZINC000140537617 358923347 /nfs/dbraw/zinc/92/33/47/358923347.db2.gz KYCQYUDSZCPLLB-SECBINFHSA-N 1 2 248.290 0.659 20 0 BCADLO C(C[NH+]1CCOCC1)N1OC2CCC1CC2 ZINC000640229240 358940403 /nfs/dbraw/zinc/94/04/03/358940403.db2.gz MBLQBRWSMBNMFI-UHFFFAOYSA-N 1 2 226.320 0.877 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000628475068 358947664 /nfs/dbraw/zinc/94/76/64/358947664.db2.gz DTBKHHDUESYFIK-QMMMGPOBSA-N 1 2 216.256 0.065 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000628475068 358947670 /nfs/dbraw/zinc/94/76/70/358947670.db2.gz DTBKHHDUESYFIK-QMMMGPOBSA-N 1 2 216.256 0.065 20 0 BCADLO CN(Cc1ncc[nH]1)C(=O)CCn1cc[nH+]c1 ZINC000070980381 359069025 /nfs/dbraw/zinc/06/90/25/359069025.db2.gz PJGAZGWJSVEZKK-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ncccc1O ZINC000071140932 359072365 /nfs/dbraw/zinc/07/23/65/359072365.db2.gz YBZAATRMXKCHJX-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000072646800 359088146 /nfs/dbraw/zinc/08/81/46/359088146.db2.gz LSLLKVWFQAPIEB-MXWKQRLJSA-N 1 2 235.287 0.567 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000073557281 359103016 /nfs/dbraw/zinc/10/30/16/359103016.db2.gz OZFUKOGXSXSIJJ-MRVPVSSYSA-N 1 2 221.260 0.853 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC ZINC000611208833 359112525 /nfs/dbraw/zinc/11/25/25/359112525.db2.gz SQYCHAOLFQOLGJ-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC ZINC000611208833 359112529 /nfs/dbraw/zinc/11/25/29/359112529.db2.gz SQYCHAOLFQOLGJ-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@H](C)CO ZINC000611235907 359188550 /nfs/dbraw/zinc/18/85/50/359188550.db2.gz UQHOMZDXMNFKOL-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@H](C)CO ZINC000611235907 359188556 /nfs/dbraw/zinc/18/85/56/359188556.db2.gz UQHOMZDXMNFKOL-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2)C1 ZINC000074773276 359128626 /nfs/dbraw/zinc/12/86/26/359128626.db2.gz FTIZWWIEPPDYRR-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2)C1 ZINC000074773276 359128630 /nfs/dbraw/zinc/12/86/30/359128630.db2.gz FTIZWWIEPPDYRR-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO CC(C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000074914808 359135157 /nfs/dbraw/zinc/13/51/57/359135157.db2.gz BRRIZDSUJDVDCA-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000246618664 359152254 /nfs/dbraw/zinc/15/22/54/359152254.db2.gz NOFCAOVQSBHMKS-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000246618664 359152258 /nfs/dbraw/zinc/15/22/58/359152258.db2.gz NOFCAOVQSBHMKS-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000246781529 359163561 /nfs/dbraw/zinc/16/35/61/359163561.db2.gz QFGMBBMXAPXIND-USWWRNFRSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000246781529 359163566 /nfs/dbraw/zinc/16/35/66/359163566.db2.gz QFGMBBMXAPXIND-USWWRNFRSA-N 1 2 238.331 0.622 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N(CC)CC ZINC000248238482 359260008 /nfs/dbraw/zinc/26/00/08/359260008.db2.gz FXQCDIKLLMEYMS-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CC)CC ZINC000248238482 359260011 /nfs/dbraw/zinc/26/00/11/359260011.db2.gz FXQCDIKLLMEYMS-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000247952090 359250308 /nfs/dbraw/zinc/25/03/08/359250308.db2.gz CFUFVDYXIALCKA-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000247952090 359250313 /nfs/dbraw/zinc/25/03/13/359250313.db2.gz CFUFVDYXIALCKA-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO Cn1c[nH+]cc1CNc1ncc(F)cn1 ZINC000308887727 491139762 /nfs/dbraw/zinc/13/97/62/491139762.db2.gz UTKIXDSRAYUFAT-UHFFFAOYSA-N 1 2 207.212 0.961 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501891 359384834 /nfs/dbraw/zinc/38/48/34/359384834.db2.gz KBULSTWYFVADPR-JGVFFNPUSA-N 1 2 231.271 0.122 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501891 359384838 /nfs/dbraw/zinc/38/48/38/359384838.db2.gz KBULSTWYFVADPR-JGVFFNPUSA-N 1 2 231.271 0.122 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502139 359385320 /nfs/dbraw/zinc/38/53/20/359385320.db2.gz NWZNMQZUTDJOGU-IUCAKERBSA-N 1 2 245.298 0.512 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502139 359385321 /nfs/dbraw/zinc/38/53/21/359385321.db2.gz NWZNMQZUTDJOGU-IUCAKERBSA-N 1 2 245.298 0.512 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579927 359398514 /nfs/dbraw/zinc/39/85/14/359398514.db2.gz ZWPUXEHTHPAQLZ-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579927 359398520 /nfs/dbraw/zinc/39/85/20/359398520.db2.gz ZWPUXEHTHPAQLZ-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](C)OC ZINC000611792312 359452296 /nfs/dbraw/zinc/45/22/96/359452296.db2.gz KMAXLAZCBGSTPE-VHSXEESVSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)OC ZINC000611792312 359452298 /nfs/dbraw/zinc/45/22/98/359452298.db2.gz KMAXLAZCBGSTPE-VHSXEESVSA-N 1 2 233.308 0.531 20 0 BCADLO O=C(C[NH2+]Cc1nccs1)NCC(F)F ZINC000308959642 491140992 /nfs/dbraw/zinc/14/09/92/491140992.db2.gz YRTSJYZRBHZSAU-UHFFFAOYSA-N 1 2 235.259 0.614 20 0 BCADLO CC(C)OCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423777133 192834355 /nfs/dbraw/zinc/83/43/55/192834355.db2.gz RGDRMSDCWZFQIF-QMMMGPOBSA-N 1 2 236.262 0.525 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H](C)C2)C1 ZINC000054172533 359597743 /nfs/dbraw/zinc/59/77/43/359597743.db2.gz UFGNVBIMTPHEAX-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H](C)C2)C1 ZINC000054172533 359597747 /nfs/dbraw/zinc/59/77/47/359597747.db2.gz UFGNVBIMTPHEAX-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO CCOCC[N@H+](C)C[C@H](C)S(C)(=O)=O ZINC000424061711 192858459 /nfs/dbraw/zinc/85/84/59/192858459.db2.gz SOKKILSJJQPTJO-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCOCC[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000424061711 192858462 /nfs/dbraw/zinc/85/84/62/192858462.db2.gz SOKKILSJJQPTJO-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063975 359629479 /nfs/dbraw/zinc/62/94/79/359629479.db2.gz OOLLYVKJSABNHD-VIFPVBQESA-N 1 2 248.286 0.004 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063975 359629482 /nfs/dbraw/zinc/62/94/82/359629482.db2.gz OOLLYVKJSABNHD-VIFPVBQESA-N 1 2 248.286 0.004 20 0 BCADLO Cc1nc(N2CC(=O)N[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000450783498 202265703 /nfs/dbraw/zinc/26/57/03/202265703.db2.gz CYZLCRGZGWJLBE-ZETCQYMHSA-N 1 2 234.303 0.727 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](C)S(C)(=O)=O)cs1 ZINC000309012844 491142434 /nfs/dbraw/zinc/14/24/34/491142434.db2.gz SNLFMNIXSYLAAN-ZETCQYMHSA-N 1 2 248.373 0.974 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000628497022 359701919 /nfs/dbraw/zinc/70/19/19/359701919.db2.gz DYJGFVQFHYIGBV-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000628497022 359701922 /nfs/dbraw/zinc/70/19/22/359701922.db2.gz DYJGFVQFHYIGBV-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000450791184 202268660 /nfs/dbraw/zinc/26/86/60/202268660.db2.gz MBLCJZNXQGAVJF-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000450791184 202268663 /nfs/dbraw/zinc/26/86/63/202268663.db2.gz MBLCJZNXQGAVJF-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CC[C@@]1(C)C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450834365 202281656 /nfs/dbraw/zinc/28/16/56/202281656.db2.gz UWQHATYNXJHCAG-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@]1(C)C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450834365 202281658 /nfs/dbraw/zinc/28/16/58/202281658.db2.gz UWQHATYNXJHCAG-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@]1(C)C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450834366 202281675 /nfs/dbraw/zinc/28/16/75/202281675.db2.gz UWQHATYNXJHCAG-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@]1(C)C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450834366 202281678 /nfs/dbraw/zinc/28/16/78/202281678.db2.gz UWQHATYNXJHCAG-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO Cc1ccc(NC(=O)C[C@H]2CC(=O)N2)c(C)[nH+]1 ZINC000612227922 359741015 /nfs/dbraw/zinc/74/10/15/359741015.db2.gz ZCVLISKCSGJFLX-SECBINFHSA-N 1 2 233.271 0.916 20 0 BCADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C(=O)NC ZINC000450935610 202314811 /nfs/dbraw/zinc/31/48/11/202314811.db2.gz DGSIRLRVDDZZRM-MRVPVSSYSA-N 1 2 208.265 0.722 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cnn[nH]1 ZINC000450979378 202325107 /nfs/dbraw/zinc/32/51/07/202325107.db2.gz ACMKRLBTTFXJHY-ZYHUDNBSSA-N 1 2 235.335 0.863 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612447982 359856335 /nfs/dbraw/zinc/85/63/35/359856335.db2.gz STSZFLCCOWQBSH-OPRDCNLKSA-N 1 2 237.303 0.268 20 0 BCADLO COCCCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121609 202356431 /nfs/dbraw/zinc/35/64/31/202356431.db2.gz SGGQTOBBEAECKX-UHFFFAOYSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121609 202356433 /nfs/dbraw/zinc/35/64/33/202356433.db2.gz SGGQTOBBEAECKX-UHFFFAOYSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)[N@H+](CCCS(C)(=O)=O)C1COC1 ZINC000451118539 202358644 /nfs/dbraw/zinc/35/86/44/202358644.db2.gz AMKPBWCMZAJBFL-UHFFFAOYSA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)[N@@H+](CCCS(C)(=O)=O)C1COC1 ZINC000451118539 202358645 /nfs/dbraw/zinc/35/86/45/202358645.db2.gz AMKPBWCMZAJBFL-UHFFFAOYSA-N 1 2 235.349 0.530 20 0 BCADLO C[NH+](C)C1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000612533954 359878607 /nfs/dbraw/zinc/87/86/07/359878607.db2.gz ZJNXASLBQHYTPV-JTQLQIEISA-N 1 2 248.330 0.998 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000451187182 202371577 /nfs/dbraw/zinc/37/15/77/202371577.db2.gz CPAILWFNYQEOJP-DTWKUNHWSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@H](F)C1 ZINC000451187182 202371580 /nfs/dbraw/zinc/37/15/80/202371580.db2.gz CPAILWFNYQEOJP-DTWKUNHWSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000451187185 202371594 /nfs/dbraw/zinc/37/15/94/202371594.db2.gz CPAILWFNYQEOJP-RKDXNWHRSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000451187185 202371596 /nfs/dbraw/zinc/37/15/96/202371596.db2.gz CPAILWFNYQEOJP-RKDXNWHRSA-N 1 2 201.241 0.982 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451196834 202375223 /nfs/dbraw/zinc/37/52/23/202375223.db2.gz ZVDFFPSUCUNJHA-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451196834 202375226 /nfs/dbraw/zinc/37/52/26/202375226.db2.gz ZVDFFPSUCUNJHA-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](F)C1 ZINC000451193339 202375270 /nfs/dbraw/zinc/37/52/70/202375270.db2.gz UUFHDMMZBXZRRT-GMTAPVOTSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](F)C1 ZINC000451193339 202375273 /nfs/dbraw/zinc/37/52/73/202375273.db2.gz UUFHDMMZBXZRRT-GMTAPVOTSA-N 1 2 244.310 0.714 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451179387 202370996 /nfs/dbraw/zinc/37/09/96/202370996.db2.gz AIQBDRXEHCPHBX-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451179387 202371000 /nfs/dbraw/zinc/37/10/00/202371000.db2.gz AIQBDRXEHCPHBX-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1COC1 ZINC000451282265 202393878 /nfs/dbraw/zinc/39/38/78/202393878.db2.gz DCWOIWSFTZRFQL-VIFPVBQESA-N 1 2 235.349 0.388 20 0 BCADLO CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1COC1 ZINC000451282265 202393880 /nfs/dbraw/zinc/39/38/80/202393880.db2.gz DCWOIWSFTZRFQL-VIFPVBQESA-N 1 2 235.349 0.388 20 0 BCADLO CC[N@H+](Cc1cc(=O)c(OC)co1)C1COC1 ZINC000451288919 202396023 /nfs/dbraw/zinc/39/60/23/202396023.db2.gz URURQJXYNDAKQY-UHFFFAOYSA-N 1 2 239.271 0.869 20 0 BCADLO CC[N@@H+](Cc1cc(=O)c(OC)co1)C1COC1 ZINC000451288919 202396025 /nfs/dbraw/zinc/39/60/25/202396025.db2.gz URURQJXYNDAKQY-UHFFFAOYSA-N 1 2 239.271 0.869 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H]1COCCO1 ZINC000578603929 366606520 /nfs/dbraw/zinc/60/65/20/366606520.db2.gz NZCDJNSIPITTCP-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1COCCO1 ZINC000578603929 366606525 /nfs/dbraw/zinc/60/65/25/366606525.db2.gz NZCDJNSIPITTCP-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000612638477 359961082 /nfs/dbraw/zinc/96/10/82/359961082.db2.gz SCMGZDIEBADRBT-BBBLOLIVSA-N 1 2 235.287 0.085 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000578883790 366665920 /nfs/dbraw/zinc/66/59/20/366665920.db2.gz BSSMFQONMYVQQY-NSHDSACASA-N 1 2 222.288 0.795 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000578883790 366665926 /nfs/dbraw/zinc/66/59/26/366665926.db2.gz BSSMFQONMYVQQY-NSHDSACASA-N 1 2 222.288 0.795 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000578883783 366666965 /nfs/dbraw/zinc/66/69/65/366666965.db2.gz BSSMFQONMYVQQY-LLVKDONJSA-N 1 2 222.288 0.795 20 0 BCADLO CCOC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000578883783 366666968 /nfs/dbraw/zinc/66/69/68/366666968.db2.gz BSSMFQONMYVQQY-LLVKDONJSA-N 1 2 222.288 0.795 20 0 BCADLO CC(=O)c1cc(C(=O)NCc2c[nH+]c[nH]2)n(C)c1 ZINC000088753243 359975889 /nfs/dbraw/zinc/97/58/89/359975889.db2.gz GBLHCPNVEOWBTM-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO CC(=O)c1cc(C(=O)NCc2c[nH]c[nH+]2)n(C)c1 ZINC000088753243 359975894 /nfs/dbraw/zinc/97/58/94/359975894.db2.gz GBLHCPNVEOWBTM-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO Cc1cc(C)c(C(=O)NCc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC000088759171 359977296 /nfs/dbraw/zinc/97/72/96/359977296.db2.gz DQLLKZJWJDZVFD-UHFFFAOYSA-N 1 2 246.270 0.645 20 0 BCADLO Cc1cc(C)c(C(=O)NCc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC000088759171 359977300 /nfs/dbraw/zinc/97/73/00/359977300.db2.gz DQLLKZJWJDZVFD-UHFFFAOYSA-N 1 2 246.270 0.645 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000578947516 366677697 /nfs/dbraw/zinc/67/76/97/366677697.db2.gz KOJAFSSEXBIIOJ-NSHDSACASA-N 1 2 249.314 0.683 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000578947516 366677702 /nfs/dbraw/zinc/67/77/02/366677702.db2.gz KOJAFSSEXBIIOJ-NSHDSACASA-N 1 2 249.314 0.683 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000089679460 360033807 /nfs/dbraw/zinc/03/38/07/360033807.db2.gz DICLEEIUNNNDJQ-VIFPVBQESA-N 1 2 240.347 0.746 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628519559 360003159 /nfs/dbraw/zinc/00/31/59/360003159.db2.gz ZFNNZQQWKNNUFT-BBBLOLIVSA-N 1 2 231.299 0.993 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628519559 360003163 /nfs/dbraw/zinc/00/31/63/360003163.db2.gz ZFNNZQQWKNNUFT-BBBLOLIVSA-N 1 2 231.299 0.993 20 0 BCADLO COc1cc(C(=O)N2CC[NH+](C)CC2)on1 ZINC000090706632 360084099 /nfs/dbraw/zinc/08/40/99/360084099.db2.gz ULJZTBQKHPSOIG-UHFFFAOYSA-N 1 2 225.248 0.071 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703547 360191513 /nfs/dbraw/zinc/19/15/13/360191513.db2.gz QTORFVNONBZZJB-NEPJUHHUSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703547 360191514 /nfs/dbraw/zinc/19/15/14/360191514.db2.gz QTORFVNONBZZJB-NEPJUHHUSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703546 360191607 /nfs/dbraw/zinc/19/16/07/360191607.db2.gz QTORFVNONBZZJB-RYUDHWBXSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703546 360191611 /nfs/dbraw/zinc/19/16/11/360191611.db2.gz QTORFVNONBZZJB-RYUDHWBXSA-N 1 2 248.330 0.961 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000093082183 360215225 /nfs/dbraw/zinc/21/52/25/360215225.db2.gz HJLPTHOLBJQPNT-LLVKDONJSA-N 1 2 238.287 0.399 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000093082183 360215229 /nfs/dbraw/zinc/21/52/29/360215229.db2.gz HJLPTHOLBJQPNT-LLVKDONJSA-N 1 2 238.287 0.399 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000306520923 360358640 /nfs/dbraw/zinc/35/86/40/360358640.db2.gz LVBHHMZPOYKTNE-HTQZYQBOSA-N 1 2 248.735 0.988 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000306520923 360358644 /nfs/dbraw/zinc/35/86/44/360358644.db2.gz LVBHHMZPOYKTNE-HTQZYQBOSA-N 1 2 248.735 0.988 20 0 BCADLO Cn1cnc(C[NH2+]Cc2cccc3n[nH]cc32)n1 ZINC000623481320 360443470 /nfs/dbraw/zinc/44/34/70/360443470.db2.gz ZUBHFLRTAACCBM-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1cnn(CCF)c1 ZINC000628765330 360635748 /nfs/dbraw/zinc/63/57/48/360635748.db2.gz TWAXIASHUCVIBB-UHFFFAOYSA-N 1 2 237.238 0.688 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000628913883 360745997 /nfs/dbraw/zinc/74/59/97/360745997.db2.gz WKVUGWYWRPCFHA-UWVGGRQHSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000628913883 360746001 /nfs/dbraw/zinc/74/60/01/360746001.db2.gz WKVUGWYWRPCFHA-UWVGGRQHSA-N 1 2 224.304 0.233 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)O1 ZINC000628913126 360746368 /nfs/dbraw/zinc/74/63/68/360746368.db2.gz JPGXUNLEDZDAJU-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)O1 ZINC000628913126 360746372 /nfs/dbraw/zinc/74/63/72/360746372.db2.gz JPGXUNLEDZDAJU-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000628911485 360747254 /nfs/dbraw/zinc/74/72/54/360747254.db2.gz DWTWJFILKDSEKN-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000628911485 360747257 /nfs/dbraw/zinc/74/72/57/360747257.db2.gz DWTWJFILKDSEKN-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1cocc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628911830 360747467 /nfs/dbraw/zinc/74/74/67/360747467.db2.gz NBQISSCGGZUZRU-SNVBAGLBSA-N 1 2 238.287 0.648 20 0 BCADLO Cc1cocc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628911830 360747471 /nfs/dbraw/zinc/74/74/71/360747471.db2.gz NBQISSCGGZUZRU-SNVBAGLBSA-N 1 2 238.287 0.648 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC000628916881 360749123 /nfs/dbraw/zinc/74/91/23/360749123.db2.gz GBMHBRDKNRKORD-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC000628916881 360749127 /nfs/dbraw/zinc/74/91/27/360749127.db2.gz GBMHBRDKNRKORD-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000628916004 360751103 /nfs/dbraw/zinc/75/11/03/360751103.db2.gz AZRTUJUQFMANMI-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000628916004 360751108 /nfs/dbraw/zinc/75/11/08/360751108.db2.gz AZRTUJUQFMANMI-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918604 360751664 /nfs/dbraw/zinc/75/16/64/360751664.db2.gz NOSRNTVGBKLPMU-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918604 360751667 /nfs/dbraw/zinc/75/16/67/360751667.db2.gz NOSRNTVGBKLPMU-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917328 360752991 /nfs/dbraw/zinc/75/29/91/360752991.db2.gz MTOUWIJJIWQVDB-GHMZBOCLSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917328 360752997 /nfs/dbraw/zinc/75/29/97/360752997.db2.gz MTOUWIJJIWQVDB-GHMZBOCLSA-N 1 2 228.336 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CCCC1 ZINC000628921454 360754051 /nfs/dbraw/zinc/75/40/51/360754051.db2.gz ZSEADZUYYBMWGE-NSHDSACASA-N 1 2 224.304 0.544 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CCCC1 ZINC000628921454 360754054 /nfs/dbraw/zinc/75/40/54/360754054.db2.gz ZSEADZUYYBMWGE-NSHDSACASA-N 1 2 224.304 0.544 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920992 360754226 /nfs/dbraw/zinc/75/42/26/360754226.db2.gz ZRTWJELHGAXWPP-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920992 360754228 /nfs/dbraw/zinc/75/42/28/360754228.db2.gz ZRTWJELHGAXWPP-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CCC1 ZINC000628921019 360754245 /nfs/dbraw/zinc/75/42/45/360754245.db2.gz XUJQEMGHVAOWSQ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CCC1 ZINC000628921019 360754248 /nfs/dbraw/zinc/75/42/48/360754248.db2.gz XUJQEMGHVAOWSQ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CCO[C@@H](CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922096 360755841 /nfs/dbraw/zinc/75/58/41/360755841.db2.gz VBYCIEDTRREQTB-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922096 360755843 /nfs/dbraw/zinc/75/58/43/360755843.db2.gz VBYCIEDTRREQTB-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923968 360756511 /nfs/dbraw/zinc/75/65/11/360756511.db2.gz XHAGAFCHZPCMDT-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923968 360756516 /nfs/dbraw/zinc/75/65/16/360756516.db2.gz XHAGAFCHZPCMDT-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC1(C)C[N@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000578977400 366684063 /nfs/dbraw/zinc/68/40/63/366684063.db2.gz QWDJKBXDQJVVLK-SECBINFHSA-N 1 2 217.284 0.960 20 0 BCADLO CC1(C)C[N@@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000578977400 366684066 /nfs/dbraw/zinc/68/40/66/366684066.db2.gz QWDJKBXDQJVVLK-SECBINFHSA-N 1 2 217.284 0.960 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000631201250 360857023 /nfs/dbraw/zinc/85/70/23/360857023.db2.gz PPFQIRXJUXDSDW-NWDGAFQWSA-N 1 2 233.271 0.412 20 0 BCADLO COCc1cnc(C[NH2+][C@@H]2COC[C@@H]2O)s1 ZINC000631201973 360876920 /nfs/dbraw/zinc/87/69/20/360876920.db2.gz YWNVXBNLROVLJW-BDAKNGLRSA-N 1 2 244.316 0.139 20 0 BCADLO Nc1ccnc(C[N@H+](CCCO)C2CC2)n1 ZINC000309621215 491153580 /nfs/dbraw/zinc/15/35/80/491153580.db2.gz PBIWFCMZBRYKSI-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO Nc1ccnc(C[N@@H+](CCCO)C2CC2)n1 ZINC000309621215 491153581 /nfs/dbraw/zinc/15/35/81/491153581.db2.gz PBIWFCMZBRYKSI-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO CCn1cc(C[NH2+]Cc2cn(C)cn2)cn1 ZINC000309623182 491153633 /nfs/dbraw/zinc/15/36/33/491153633.db2.gz FTDNOQCFECBXFM-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC1(C)COC1 ZINC000634190435 361026804 /nfs/dbraw/zinc/02/68/04/361026804.db2.gz ABBAFRJUDQMSKH-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO COc1ccnc(CNCc2[nH+]cc(C)n2C)n1 ZINC000424190822 200883662 /nfs/dbraw/zinc/88/36/62/200883662.db2.gz PBAJMMKTWRCGIK-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO Fc1cnc(NCCn2cc[nH+]c2)nc1 ZINC000158590373 361204846 /nfs/dbraw/zinc/20/48/46/361204846.db2.gz CUHGWAWRCSCYSU-UHFFFAOYSA-N 1 2 207.212 0.924 20 0 BCADLO CCSCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000158711442 361209169 /nfs/dbraw/zinc/20/91/69/361209169.db2.gz KAWQTHLINXTGGI-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO CCSCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000158711442 361209174 /nfs/dbraw/zinc/20/91/74/361209174.db2.gz KAWQTHLINXTGGI-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)CCO)[nH+]1 ZINC000309725698 491155112 /nfs/dbraw/zinc/15/51/12/491155112.db2.gz DBJHNLNJUBPJQC-ZETCQYMHSA-N 1 2 225.296 0.429 20 0 BCADLO Cc1nc(N[C@@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000309725698 491155113 /nfs/dbraw/zinc/15/51/13/491155113.db2.gz DBJHNLNJUBPJQC-ZETCQYMHSA-N 1 2 225.296 0.429 20 0 BCADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474389 361239088 /nfs/dbraw/zinc/23/90/88/361239088.db2.gz RXKCUKNTYZVHAL-CABZTGNLSA-N 1 2 237.303 0.835 20 0 BCADLO CC(C)Cc1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474389 361239092 /nfs/dbraw/zinc/23/90/92/361239092.db2.gz RXKCUKNTYZVHAL-CABZTGNLSA-N 1 2 237.303 0.835 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nc1 ZINC000640483966 361274710 /nfs/dbraw/zinc/27/47/10/361274710.db2.gz YSHOZHFVGVXCCK-ONGXEEELSA-N 1 2 205.261 0.352 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nc1 ZINC000640483966 361274714 /nfs/dbraw/zinc/27/47/14/361274714.db2.gz YSHOZHFVGVXCCK-ONGXEEELSA-N 1 2 205.261 0.352 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478819 361256117 /nfs/dbraw/zinc/25/61/17/361256117.db2.gz BTAGLDHUHRWIGJ-ONGXEEELSA-N 1 2 222.292 0.255 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478819 361256123 /nfs/dbraw/zinc/25/61/23/361256123.db2.gz BTAGLDHUHRWIGJ-ONGXEEELSA-N 1 2 222.292 0.255 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nccn1C(F)F)C2 ZINC000640479446 361260037 /nfs/dbraw/zinc/26/00/37/361260037.db2.gz RZDKNCWRBKVMKI-XVKPBYJWSA-N 1 2 229.230 0.845 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nccn1C(F)F)C2 ZINC000640479446 361260042 /nfs/dbraw/zinc/26/00/42/361260042.db2.gz RZDKNCWRBKVMKI-XVKPBYJWSA-N 1 2 229.230 0.845 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640481708 361266508 /nfs/dbraw/zinc/26/65/08/361266508.db2.gz NPNBJLYOTRZGNP-VAOFZXAKSA-N 1 2 239.275 0.344 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640481708 361266513 /nfs/dbraw/zinc/26/65/13/361266513.db2.gz NPNBJLYOTRZGNP-VAOFZXAKSA-N 1 2 239.275 0.344 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640482328 361267397 /nfs/dbraw/zinc/26/73/97/361267397.db2.gz IUGNEICQQVLHBJ-BXKDBHETSA-N 1 2 220.272 0.274 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640482328 361267399 /nfs/dbraw/zinc/26/73/99/361267399.db2.gz IUGNEICQQVLHBJ-BXKDBHETSA-N 1 2 220.272 0.274 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC000640486171 361270967 /nfs/dbraw/zinc/27/09/67/361270967.db2.gz KUKCFBCFBBIBKP-ZYHUDNBSSA-N 1 2 234.303 0.255 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC000640486171 361270971 /nfs/dbraw/zinc/27/09/71/361270971.db2.gz KUKCFBCFBBIBKP-ZYHUDNBSSA-N 1 2 234.303 0.255 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nnc(C3CC3)s1)C2 ZINC000640486706 361272908 /nfs/dbraw/zinc/27/29/08/361272908.db2.gz NBZFXYHIHVFCJK-KWQFWETISA-N 1 2 237.328 0.982 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnc(C3CC3)s1)C2 ZINC000640486706 361272910 /nfs/dbraw/zinc/27/29/10/361272910.db2.gz NBZFXYHIHVFCJK-KWQFWETISA-N 1 2 237.328 0.982 20 0 BCADLO CCc1nc(C)c(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000428294065 201005737 /nfs/dbraw/zinc/00/57/37/201005737.db2.gz KONLOHJSUFIGJW-VIFPVBQESA-N 1 2 237.303 0.866 20 0 BCADLO CCc1nc(C)c(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000428294065 201005739 /nfs/dbraw/zinc/00/57/39/201005739.db2.gz KONLOHJSUFIGJW-VIFPVBQESA-N 1 2 237.303 0.866 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428293674 201006472 /nfs/dbraw/zinc/00/64/72/201006472.db2.gz CHTRGFIHKBONSV-VHSXEESVSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428293674 201006474 /nfs/dbraw/zinc/00/64/74/201006474.db2.gz CHTRGFIHKBONSV-VHSXEESVSA-N 1 2 224.308 0.706 20 0 BCADLO COCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000579053804 366701489 /nfs/dbraw/zinc/70/14/89/366701489.db2.gz SMFZNUKVSNDYGW-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CCn1ccc(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000579125892 366719394 /nfs/dbraw/zinc/71/93/94/366719394.db2.gz CWPDLUZYOIBBDJ-UHFFFAOYSA-N 1 2 247.302 0.909 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)nn1 ZINC000428299197 201007931 /nfs/dbraw/zinc/00/79/31/201007931.db2.gz DPAOJXRMWOEAEL-GXSJLCMTSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)nn1 ZINC000428299197 201007934 /nfs/dbraw/zinc/00/79/34/201007934.db2.gz DPAOJXRMWOEAEL-GXSJLCMTSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CO)[nH]1 ZINC000428296208 201005385 /nfs/dbraw/zinc/00/53/85/201005385.db2.gz VUNGLKMVWGALRW-QMMMGPOBSA-N 1 2 212.297 0.741 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CO)[nH]1 ZINC000428296208 201005387 /nfs/dbraw/zinc/00/53/87/201005387.db2.gz VUNGLKMVWGALRW-QMMMGPOBSA-N 1 2 212.297 0.741 20 0 BCADLO C[C@H](CC(=O)N1C[C@H](O)C2(CC2)C1)n1cc[nH+]c1 ZINC000579239386 366743814 /nfs/dbraw/zinc/74/38/14/366743814.db2.gz TUTRFHKVOZZHKY-MNOVXSKESA-N 1 2 249.314 0.818 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2csnn2)C1 ZINC000428427563 201016629 /nfs/dbraw/zinc/01/66/29/201016629.db2.gz RGBTUEIDKHUJSM-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2csnn2)C1 ZINC000428427563 201016630 /nfs/dbraw/zinc/01/66/30/201016630.db2.gz RGBTUEIDKHUJSM-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CCc1nc(C)c(C[N@H+](C)CC(=O)NC)o1 ZINC000428450394 201016820 /nfs/dbraw/zinc/01/68/20/201016820.db2.gz ZJXHVKTULVKURJ-UHFFFAOYSA-N 1 2 225.292 0.723 20 0 BCADLO CCc1nc(C)c(C[N@@H+](C)CC(=O)NC)o1 ZINC000428450394 201016821 /nfs/dbraw/zinc/01/68/21/201016821.db2.gz ZJXHVKTULVKURJ-UHFFFAOYSA-N 1 2 225.292 0.723 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ncn1 ZINC000428443655 201017634 /nfs/dbraw/zinc/01/76/34/201017634.db2.gz SEWUYNQASSVOCU-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ncn1 ZINC000428443655 201017637 /nfs/dbraw/zinc/01/76/37/201017637.db2.gz SEWUYNQASSVOCU-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nc(C)c(C(=O)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000622058542 370685352 /nfs/dbraw/zinc/68/53/52/370685352.db2.gz JZVKAXOBSZQOBH-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@@H]1C ZINC000428479891 201025415 /nfs/dbraw/zinc/02/54/15/201025415.db2.gz JWSXIFVRTLTLCY-VXNVDRBHSA-N 1 2 238.291 0.497 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@@H]1C ZINC000428479891 201025418 /nfs/dbraw/zinc/02/54/18/201025418.db2.gz JWSXIFVRTLTLCY-VXNVDRBHSA-N 1 2 238.291 0.497 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000428512984 201026064 /nfs/dbraw/zinc/02/60/64/201026064.db2.gz CSMPAAOPUNTMGJ-SRVKXCTJSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000428512984 201026067 /nfs/dbraw/zinc/02/60/67/201026067.db2.gz CSMPAAOPUNTMGJ-SRVKXCTJSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1nccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000079789156 370693300 /nfs/dbraw/zinc/69/33/00/370693300.db2.gz CRAQZXRXWTVPLY-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000429126331 201069740 /nfs/dbraw/zinc/06/97/40/201069740.db2.gz GXGUDAXSNRFZKD-UHFFFAOYSA-N 1 2 241.335 0.243 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000429126331 201069743 /nfs/dbraw/zinc/06/97/43/201069743.db2.gz GXGUDAXSNRFZKD-UHFFFAOYSA-N 1 2 241.335 0.243 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000429121793 201070051 /nfs/dbraw/zinc/07/00/51/201070051.db2.gz MPWJBDGWHHIDJM-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000429121793 201070053 /nfs/dbraw/zinc/07/00/53/201070053.db2.gz MPWJBDGWHHIDJM-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000429121872 201070611 /nfs/dbraw/zinc/07/06/11/201070611.db2.gz IHNKBFRUXQJWMY-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000429121872 201070614 /nfs/dbraw/zinc/07/06/14/201070614.db2.gz IHNKBFRUXQJWMY-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000428964926 201052537 /nfs/dbraw/zinc/05/25/37/201052537.db2.gz SBGWJSWWGSFGBQ-UHFFFAOYSA-N 1 2 236.319 0.778 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000428964926 201052538 /nfs/dbraw/zinc/05/25/38/201052538.db2.gz SBGWJSWWGSFGBQ-UHFFFAOYSA-N 1 2 236.319 0.778 20 0 BCADLO C[C@@H]([NH2+]Cc1cocn1)[C@H]1CN(C)CCO1 ZINC000309813889 491157152 /nfs/dbraw/zinc/15/71/52/491157152.db2.gz UXQNLUYTABORAB-MWLCHTKSSA-N 1 2 225.292 0.483 20 0 BCADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@@H]1CCOC1 ZINC000428984629 201054147 /nfs/dbraw/zinc/05/41/47/201054147.db2.gz YAOXAGQERWKDLB-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@@H]1CCOC1 ZINC000428984629 201054151 /nfs/dbraw/zinc/05/41/51/201054151.db2.gz YAOXAGQERWKDLB-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ncn1 ZINC000428968050 201056270 /nfs/dbraw/zinc/05/62/70/201056270.db2.gz YMKKLNWOJZXOCB-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)ncn1 ZINC000428968050 201056272 /nfs/dbraw/zinc/05/62/72/201056272.db2.gz YMKKLNWOJZXOCB-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)CCOCCO ZINC000429282843 201091156 /nfs/dbraw/zinc/09/11/56/201091156.db2.gz HCHIMURBSVHGEZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)CCOCCO ZINC000429282843 201091160 /nfs/dbraw/zinc/09/11/60/201091160.db2.gz HCHIMURBSVHGEZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnccc1OC ZINC000429175970 201077468 /nfs/dbraw/zinc/07/74/68/201077468.db2.gz LPJVLXKMGLVMIC-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnccc1OC ZINC000429175970 201077470 /nfs/dbraw/zinc/07/74/70/201077470.db2.gz LPJVLXKMGLVMIC-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170019775 361377239 /nfs/dbraw/zinc/37/72/39/361377239.db2.gz PZGXMCYZRIKRDI-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000429183894 201078528 /nfs/dbraw/zinc/07/85/28/201078528.db2.gz GKQQTOUVLBWHIJ-IUCAKERBSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(N(C)C)no1 ZINC000429183894 201078530 /nfs/dbraw/zinc/07/85/30/201078530.db2.gz GKQQTOUVLBWHIJ-IUCAKERBSA-N 1 2 240.307 0.481 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429194226 201078873 /nfs/dbraw/zinc/07/88/73/201078873.db2.gz YMVOEJFERFSSGW-UWVGGRQHSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429194226 201078875 /nfs/dbraw/zinc/07/88/75/201078875.db2.gz YMVOEJFERFSSGW-UWVGGRQHSA-N 1 2 239.323 0.599 20 0 BCADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](O)COC ZINC000429281953 201091660 /nfs/dbraw/zinc/09/16/60/201091660.db2.gz YLSDPZVVUUIBEJ-SNVBAGLBSA-N 1 2 247.335 0.705 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000579247448 366746061 /nfs/dbraw/zinc/74/60/61/366746061.db2.gz TUYYTSKNTOSTSB-NGZCFLSTSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000579247448 366746067 /nfs/dbraw/zinc/74/60/67/366746067.db2.gz TUYYTSKNTOSTSB-NGZCFLSTSA-N 1 2 237.303 0.882 20 0 BCADLO Cc1nn(C)cc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579339560 366761834 /nfs/dbraw/zinc/76/18/34/366761834.db2.gz YOIUABWZJLRXEA-UHFFFAOYSA-N 1 2 241.276 0.252 20 0 BCADLO Cn1nnnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000579428685 366780807 /nfs/dbraw/zinc/78/08/07/366780807.db2.gz ZLNOBXXEKIXVLP-SNVBAGLBSA-N 1 2 246.274 0.263 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC(=O)C1 ZINC000579356017 366769458 /nfs/dbraw/zinc/76/94/58/366769458.db2.gz CWWBROFTCAIVHP-SECBINFHSA-N 1 2 221.260 0.369 20 0 BCADLO COc1cc(C[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000429296762 201096223 /nfs/dbraw/zinc/09/62/23/201096223.db2.gz SIXJRGSRIUKOGZ-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO COc1cc(C[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000429296762 201096224 /nfs/dbraw/zinc/09/62/24/201096224.db2.gz SIXJRGSRIUKOGZ-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnn(C)c2)CC[S@@]1=O ZINC000429556515 201115763 /nfs/dbraw/zinc/11/57/63/201115763.db2.gz DWHSTHPJNDBVNQ-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnn(C)c2)CC[S@@]1=O ZINC000429556515 201115767 /nfs/dbraw/zinc/11/57/67/201115767.db2.gz DWHSTHPJNDBVNQ-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)CC[S@]1=O ZINC000429570050 201117819 /nfs/dbraw/zinc/11/78/19/201117819.db2.gz AFUBZBLXWYNGBR-XIZWVBILSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)CC[S@]1=O ZINC000429570050 201117821 /nfs/dbraw/zinc/11/78/21/201117821.db2.gz AFUBZBLXWYNGBR-XIZWVBILSA-N 1 2 244.360 0.108 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000429691432 201127575 /nfs/dbraw/zinc/12/75/75/201127575.db2.gz MVZVCNMAECPVPU-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000429691432 201127578 /nfs/dbraw/zinc/12/75/78/201127578.db2.gz MVZVCNMAECPVPU-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO CNC(=O)CC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000429691431 201127782 /nfs/dbraw/zinc/12/77/82/201127782.db2.gz MVZVCNMAECPVPU-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO CNC(=O)CC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000429691431 201127783 /nfs/dbraw/zinc/12/77/83/201127783.db2.gz MVZVCNMAECPVPU-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429557159 201113657 /nfs/dbraw/zinc/11/36/57/201113657.db2.gz BQINKOXVGWQMGL-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429557159 201113661 /nfs/dbraw/zinc/11/36/61/201113661.db2.gz BQINKOXVGWQMGL-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO CCCn1cc(C[N@H+](CCC)CC(N)=O)cn1 ZINC000430135948 201147316 /nfs/dbraw/zinc/14/73/16/201147316.db2.gz HLMYQFFBJIJIKF-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCCn1cc(C[N@@H+](CCC)CC(N)=O)cn1 ZINC000430135948 201147318 /nfs/dbraw/zinc/14/73/18/201147318.db2.gz HLMYQFFBJIJIKF-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433553053 201186870 /nfs/dbraw/zinc/18/68/70/201186870.db2.gz CHBWTUWUDWLJTO-UHFFFAOYSA-N 1 2 241.335 0.560 20 0 BCADLO O=C(NCCF)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614373289 363796315 /nfs/dbraw/zinc/79/63/15/363796315.db2.gz KEUMXKBFQFKDMM-ZETCQYMHSA-N 1 2 211.240 0.600 20 0 BCADLO O=C(NCCF)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614373289 363796319 /nfs/dbraw/zinc/79/63/19/363796319.db2.gz KEUMXKBFQFKDMM-ZETCQYMHSA-N 1 2 211.240 0.600 20 0 BCADLO NC(=O)C1([NH2+]Cc2ccncc2Cl)CC1 ZINC000152405568 201198558 /nfs/dbraw/zinc/19/85/58/201198558.db2.gz QIJHPERIFYHZCA-UHFFFAOYSA-N 1 2 225.679 0.843 20 0 BCADLO CS[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000448545676 201199096 /nfs/dbraw/zinc/19/90/96/201199096.db2.gz JBJFVSYVMHQGGN-VIFPVBQESA-N 1 2 239.348 0.945 20 0 BCADLO CS[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000448545676 201199099 /nfs/dbraw/zinc/19/90/99/201199099.db2.gz JBJFVSYVMHQGGN-VIFPVBQESA-N 1 2 239.348 0.945 20 0 BCADLO O[C@@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@H]1O ZINC000433812919 201195138 /nfs/dbraw/zinc/19/51/38/201195138.db2.gz XLARGQWKPPGWPK-VXGBXAGGSA-N 1 2 248.257 0.916 20 0 BCADLO Cc1conc1C(=O)NCc1[nH]c[nH+]c1C ZINC000631594065 361577726 /nfs/dbraw/zinc/57/77/26/361577726.db2.gz QSTMZIRSXKYSLM-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H](C)CO1 ZINC000434546129 201226693 /nfs/dbraw/zinc/22/66/93/201226693.db2.gz FOAQVWWMRXTLIL-HBNTYKKESA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H](C)CO1 ZINC000434546129 201226698 /nfs/dbraw/zinc/22/66/98/201226698.db2.gz FOAQVWWMRXTLIL-HBNTYKKESA-N 1 2 247.360 0.530 20 0 BCADLO CCOCC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000434636851 201231084 /nfs/dbraw/zinc/23/10/84/201231084.db2.gz JVLQFRRZVCMISB-QMMMGPOBSA-N 1 2 239.262 0.697 20 0 BCADLO O=C(COc1ccc(O)cc1)NCc1c[nH+]c[nH]1 ZINC000435587661 201277268 /nfs/dbraw/zinc/27/72/68/201277268.db2.gz FUDIDIPZQGGANP-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO O=C(COc1ccc(O)cc1)NCc1c[nH]c[nH+]1 ZINC000435587661 201277270 /nfs/dbraw/zinc/27/72/70/201277270.db2.gz FUDIDIPZQGGANP-UHFFFAOYSA-N 1 2 247.254 0.811 20 0 BCADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000450221861 201274794 /nfs/dbraw/zinc/27/47/94/201274794.db2.gz XAYDLUYXIBOXGT-YPMHNXCESA-N 1 2 248.326 0.583 20 0 BCADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000450221861 201274796 /nfs/dbraw/zinc/27/47/96/201274796.db2.gz XAYDLUYXIBOXGT-YPMHNXCESA-N 1 2 248.326 0.583 20 0 BCADLO CSC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000435876114 201293175 /nfs/dbraw/zinc/29/31/75/201293175.db2.gz WLWBDCKQHBGSFA-LURJTMIESA-N 1 2 227.276 0.634 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)NCCF ZINC000437101072 201343381 /nfs/dbraw/zinc/34/33/81/201343381.db2.gz WYGDBQNYGXAAGM-UHFFFAOYSA-N 1 2 241.222 0.114 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCCS(C)(=O)=O ZINC000156031367 201383087 /nfs/dbraw/zinc/38/30/87/201383087.db2.gz NNCAZNYCRLDXIE-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCCS(C)(=O)=O ZINC000156031367 201383092 /nfs/dbraw/zinc/38/30/92/201383092.db2.gz NNCAZNYCRLDXIE-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000438082253 201385762 /nfs/dbraw/zinc/38/57/62/201385762.db2.gz STJRWYZQDIGBCC-GMTAPVOTSA-N 1 2 226.320 0.622 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614544801 363841596 /nfs/dbraw/zinc/84/15/96/363841596.db2.gz BYKWFVFHLBXCCL-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614544801 363841601 /nfs/dbraw/zinc/84/16/01/363841601.db2.gz BYKWFVFHLBXCCL-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000614565385 363873064 /nfs/dbraw/zinc/87/30/64/363873064.db2.gz MDAWDQABPCMKBX-SECBINFHSA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000614565385 363873067 /nfs/dbraw/zinc/87/30/67/363873067.db2.gz MDAWDQABPCMKBX-SECBINFHSA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000614565385 363873068 /nfs/dbraw/zinc/87/30/68/363873068.db2.gz MDAWDQABPCMKBX-SECBINFHSA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000614565385 363873070 /nfs/dbraw/zinc/87/30/70/363873070.db2.gz MDAWDQABPCMKBX-SECBINFHSA-N 1 2 227.333 0.492 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCN1 ZINC000614735513 363945323 /nfs/dbraw/zinc/94/53/23/363945323.db2.gz XOWUKBFIEFYYDH-VIFPVBQESA-N 1 2 234.303 0.642 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCN1 ZINC000614735513 363945327 /nfs/dbraw/zinc/94/53/27/363945327.db2.gz XOWUKBFIEFYYDH-VIFPVBQESA-N 1 2 234.303 0.642 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCN1 ZINC000614736028 363946073 /nfs/dbraw/zinc/94/60/73/363946073.db2.gz CGADXFGJKYYAHV-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCN1 ZINC000614736028 363946076 /nfs/dbraw/zinc/94/60/76/363946076.db2.gz CGADXFGJKYYAHV-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cn[nH]c1 ZINC000614662237 363918418 /nfs/dbraw/zinc/91/84/18/363918418.db2.gz SXVMBXIENOIRFU-NSHDSACASA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cn[nH]c1 ZINC000614662237 363918420 /nfs/dbraw/zinc/91/84/20/363918420.db2.gz SXVMBXIENOIRFU-NSHDSACASA-N 1 2 223.276 0.937 20 0 BCADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnnn1C ZINC000541984894 364056922 /nfs/dbraw/zinc/05/69/22/364056922.db2.gz ZQHMMRLFJWHDQK-NSHDSACASA-N 1 2 247.302 0.342 20 0 BCADLO O=C1C[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C(=O)N1 ZINC000630381658 364096649 /nfs/dbraw/zinc/09/66/49/364096649.db2.gz DDHOTIUMBYFVTK-SNVBAGLBSA-N 1 2 232.239 0.123 20 0 BCADLO O=C1C[C@@H]([N@H+]2Cc3ccc(O)cc3C2)C(=O)N1 ZINC000630381658 364096655 /nfs/dbraw/zinc/09/66/55/364096655.db2.gz DDHOTIUMBYFVTK-SNVBAGLBSA-N 1 2 232.239 0.123 20 0 BCADLO COc1ccnc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000115977663 370720070 /nfs/dbraw/zinc/72/00/70/370720070.db2.gz MAOROHPFTNWXNP-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093053290 541346746 /nfs/dbraw/zinc/34/67/46/541346746.db2.gz HECPJENOQXQLLM-UHFFFAOYSA-N 1 2 239.344 0.858 20 0 BCADLO Cc1ccc(-n2cc(C[N@H+](C)CCO)nn2)nc1 ZINC000630619572 364358146 /nfs/dbraw/zinc/35/81/46/364358146.db2.gz RSVIZMMAHPYRGF-UHFFFAOYSA-N 1 2 247.302 0.395 20 0 BCADLO Cc1ccc(-n2cc(C[N@@H+](C)CCO)nn2)nc1 ZINC000630619572 364358152 /nfs/dbraw/zinc/35/81/52/364358152.db2.gz RSVIZMMAHPYRGF-UHFFFAOYSA-N 1 2 247.302 0.395 20 0 BCADLO CC(C)(C(=O)NCCc1cn[nH]c1)c1c[nH]c[nH+]1 ZINC000615024149 364391033 /nfs/dbraw/zinc/39/10/33/364391033.db2.gz GGDDTQBDSJQPPU-UHFFFAOYSA-N 1 2 247.302 0.769 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)[C@@H](C)O1 ZINC000630735941 364524844 /nfs/dbraw/zinc/52/48/44/364524844.db2.gz XZYFKOWMTSFPDC-MXWKQRLJSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H](NC(=O)[C@]1(O)CCSC1)c1[nH]cc[nH+]1 ZINC000615157973 364547907 /nfs/dbraw/zinc/54/79/07/364547907.db2.gz HXDMFKCAGOBGTK-XCBNKYQSSA-N 1 2 241.316 0.455 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000615365248 364744609 /nfs/dbraw/zinc/74/46/09/364744609.db2.gz SMMNSIKGENTTFB-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000615365248 364744611 /nfs/dbraw/zinc/74/46/11/364744611.db2.gz SMMNSIKGENTTFB-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCNC1=O ZINC000630866563 364697820 /nfs/dbraw/zinc/69/78/20/364697820.db2.gz NTDVSHMPUUKNKF-MRVPVSSYSA-N 1 2 249.270 0.555 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2COc3ccccc3C2)n1 ZINC000328080878 364807461 /nfs/dbraw/zinc/80/74/61/364807461.db2.gz BKQUIRNIBBVEON-JTQLQIEISA-N 1 2 245.286 0.303 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171093979 364766603 /nfs/dbraw/zinc/76/66/03/364766603.db2.gz FRDHTMAQSVSJIK-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171093979 364766609 /nfs/dbraw/zinc/76/66/09/364766609.db2.gz FRDHTMAQSVSJIK-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)O1 ZINC000333018318 364774412 /nfs/dbraw/zinc/77/44/12/364774412.db2.gz UWNRBRIXVFRZBC-VWYCJHECSA-N 1 2 249.314 0.882 20 0 BCADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1COC1 ZINC000573266032 364789915 /nfs/dbraw/zinc/78/99/15/364789915.db2.gz QACDUKCEZPRYHQ-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1COC1 ZINC000573266032 364789920 /nfs/dbraw/zinc/78/99/20/364789920.db2.gz QACDUKCEZPRYHQ-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO CC(=O)c1cc(C[N@H+](C)CCCO)on1 ZINC000573264089 364790025 /nfs/dbraw/zinc/79/00/25/364790025.db2.gz SSUABBBJNBFMKM-UHFFFAOYSA-N 1 2 212.249 0.691 20 0 BCADLO CC(=O)c1cc(C[N@@H+](C)CCCO)on1 ZINC000573264089 364790029 /nfs/dbraw/zinc/79/00/29/364790029.db2.gz SSUABBBJNBFMKM-UHFFFAOYSA-N 1 2 212.249 0.691 20 0 BCADLO C[C@@H](CC(=O)NCC(=O)N(C)C)n1cc[nH+]c1 ZINC000573376273 364814398 /nfs/dbraw/zinc/81/43/98/364814398.db2.gz MKIOAOOFLGDKHM-VIFPVBQESA-N 1 2 238.291 0.039 20 0 BCADLO C[C@@H](C(=O)N[C@H]1C[C@@H]1C(F)F)[NH+]1CCOCC1 ZINC000573457753 364839331 /nfs/dbraw/zinc/83/93/31/364839331.db2.gz ZKOAKBFUMZVMFT-CIUDSAMLSA-N 1 2 248.273 0.477 20 0 BCADLO CC1(C)CC(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000573666752 364886625 /nfs/dbraw/zinc/88/66/25/364886625.db2.gz XINWQHBDFKYJLT-UHFFFAOYSA-N 1 2 221.260 0.463 20 0 BCADLO CN1CC[N@H+](CCOCC2CCCC2)CC1=O ZINC000573569754 364864609 /nfs/dbraw/zinc/86/46/09/364864609.db2.gz YKZXSHBDYYNAJP-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CN1CC[N@@H+](CCOCC2CCCC2)CC1=O ZINC000573569754 364864611 /nfs/dbraw/zinc/86/46/11/364864611.db2.gz YKZXSHBDYYNAJP-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CC[C@](C)(CO)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000573739420 364906461 /nfs/dbraw/zinc/90/64/61/364906461.db2.gz MKSWJYMZLMIYBI-LLVKDONJSA-N 1 2 225.292 0.777 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COC(F)F ZINC000573814304 364923138 /nfs/dbraw/zinc/92/31/38/364923138.db2.gz DIFICOGLIYPBPV-UHFFFAOYSA-N 1 2 233.218 0.758 20 0 BCADLO CNC(=O)N[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000573933167 364949578 /nfs/dbraw/zinc/94/95/78/364949578.db2.gz BRTRXYFTMFJKFF-SNVBAGLBSA-N 1 2 249.318 0.601 20 0 BCADLO COC[C@](C)(O)C(=O)Nc1cc[nH+]cc1C ZINC000574144236 364989893 /nfs/dbraw/zinc/98/98/93/364989893.db2.gz BTPZUCYNQYTUHQ-NSHDSACASA-N 1 2 224.260 0.148 20 0 BCADLO CCC(CC)(CO)C(=O)NCCn1cc[nH+]c1 ZINC000574169442 365002655 /nfs/dbraw/zinc/00/26/55/365002655.db2.gz DGLZWWRRJIRPNT-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000574200556 365009344 /nfs/dbraw/zinc/00/93/44/365009344.db2.gz MTGRIOPWZJKMSC-POYBYMJQSA-N 1 2 229.305 0.294 20 0 BCADLO COC[C@@](C)(O)C(=O)Nc1cc[nH+]cc1C ZINC000574144231 364995791 /nfs/dbraw/zinc/99/57/91/364995791.db2.gz BTPZUCYNQYTUHQ-LLVKDONJSA-N 1 2 224.260 0.148 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@](C)(C(N)=O)C1 ZINC000574466376 365071344 /nfs/dbraw/zinc/07/13/44/365071344.db2.gz XYUPSUPFOMUJPV-GFCCVEGCSA-N 1 2 234.303 0.795 20 0 BCADLO C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCC1=O ZINC000574701684 365126506 /nfs/dbraw/zinc/12/65/06/365126506.db2.gz IFJLHUPRQUGYAJ-SNVBAGLBSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000574714560 365129090 /nfs/dbraw/zinc/12/90/90/365129090.db2.gz PUHBZSXLSCBMLY-VIFPVBQESA-N 1 2 207.277 0.974 20 0 BCADLO Cc1nnsc1C[N@@H+](CC(N)=O)CC(C)C ZINC000574748667 365133584 /nfs/dbraw/zinc/13/35/84/365133584.db2.gz MXWLMBMRVDOUPB-UHFFFAOYSA-N 1 2 242.348 0.790 20 0 BCADLO Cc1nnsc1C[N@H+](CC(N)=O)CC(C)C ZINC000574748667 365133588 /nfs/dbraw/zinc/13/35/88/365133588.db2.gz MXWLMBMRVDOUPB-UHFFFAOYSA-N 1 2 242.348 0.790 20 0 BCADLO COCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068367445 370790146 /nfs/dbraw/zinc/79/01/46/370790146.db2.gz WMXDBXYPFACMMT-UHFFFAOYSA-N 1 2 219.244 0.711 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(C)COC1 ZINC000574823522 365153850 /nfs/dbraw/zinc/15/38/50/365153850.db2.gz UMUNJHUPCJIBNE-UHFFFAOYSA-N 1 2 223.276 0.556 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[S@@](=O)C1 ZINC000574824287 365155701 /nfs/dbraw/zinc/15/57/01/365155701.db2.gz ZZTMIYGBVVMUSK-ADNUTGFCSA-N 1 2 242.304 0.000 20 0 BCADLO C[C@H](CC(=O)Nc1ncn(C)n1)n1cc[nH+]c1 ZINC000574881682 365167676 /nfs/dbraw/zinc/16/76/76/365167676.db2.gz WZHPOIIWHMQLBE-MRVPVSSYSA-N 1 2 234.263 0.601 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000575071367 365185457 /nfs/dbraw/zinc/18/54/57/365185457.db2.gz WMMSYPKIYMCHOC-DCAQKATOSA-N 1 2 226.320 0.574 20 0 BCADLO CCOC(=O)C1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000443371213 193018691 /nfs/dbraw/zinc/01/86/91/193018691.db2.gz GTTQDVHXYYWTLI-UHFFFAOYSA-N 1 2 237.259 0.369 20 0 BCADLO CCOC(=O)C1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000443371213 193018694 /nfs/dbraw/zinc/01/86/94/193018694.db2.gz GTTQDVHXYYWTLI-UHFFFAOYSA-N 1 2 237.259 0.369 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000574772142 365142812 /nfs/dbraw/zinc/14/28/12/365142812.db2.gz ZWBNZISIOAVJSJ-SFYZADRCSA-N 1 2 221.260 0.956 20 0 BCADLO CCc1nsc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000333542577 365194076 /nfs/dbraw/zinc/19/40/76/365194076.db2.gz LHQJGCNZNQSDRW-MRVPVSSYSA-N 1 2 242.348 0.313 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCO ZINC000575135116 365218350 /nfs/dbraw/zinc/21/83/50/365218350.db2.gz SOGYOVIRYNPPGA-MRVPVSSYSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCO ZINC000575135116 365218354 /nfs/dbraw/zinc/21/83/54/365218354.db2.gz SOGYOVIRYNPPGA-MRVPVSSYSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@H](O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000575185449 365235314 /nfs/dbraw/zinc/23/53/14/365235314.db2.gz HJGZOVIOCXRXJR-WDEREUQCSA-N 1 2 237.303 0.645 20 0 BCADLO CCc1nc(C[NH2+]C2(CC(=O)OC)CC2)no1 ZINC000575319804 365288545 /nfs/dbraw/zinc/28/85/45/365288545.db2.gz CSWZWIXOYOLFQK-UHFFFAOYSA-N 1 2 239.275 0.817 20 0 BCADLO O=C(N1CC[NH+](CCO)CC1)C1(CF)CCC1 ZINC000575807009 365369353 /nfs/dbraw/zinc/36/93/53/365369353.db2.gz OVMJOKYVTQNQPP-UHFFFAOYSA-N 1 2 244.310 0.263 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2ccc(CO)o2)C1 ZINC000579584669 366889568 /nfs/dbraw/zinc/88/95/68/366889568.db2.gz HGZYWVONUHLFGE-UHFFFAOYSA-N 1 2 239.271 0.767 20 0 BCADLO COC[C@](C)([NH2+]CCCOC(C)C)C(=O)OC ZINC000182594106 366919354 /nfs/dbraw/zinc/91/93/54/366919354.db2.gz SXTMFDPHZFMUCW-LBPRGKRZSA-N 1 2 247.335 0.969 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371283 541480936 /nfs/dbraw/zinc/48/09/36/541480936.db2.gz ICHMSSBFRJKAIW-JQWIXIFHSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371283 541480938 /nfs/dbraw/zinc/48/09/38/541480938.db2.gz ICHMSSBFRJKAIW-JQWIXIFHSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371282 541481196 /nfs/dbraw/zinc/48/11/96/541481196.db2.gz ICHMSSBFRJKAIW-CMPLNLGQSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371282 541481201 /nfs/dbraw/zinc/48/12/01/541481201.db2.gz ICHMSSBFRJKAIW-CMPLNLGQSA-N 1 2 242.319 0.132 20 0 BCADLO CN(Cc1[nH+]ccn1C)Cc1cncnc1 ZINC000357212639 541488716 /nfs/dbraw/zinc/48/87/16/541488716.db2.gz JZSXTZNKOAHSHT-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579851488 367049667 /nfs/dbraw/zinc/04/96/67/367049667.db2.gz PETCZNAFVUGPSS-GXSJLCMTSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579851488 367049674 /nfs/dbraw/zinc/04/96/74/367049674.db2.gz PETCZNAFVUGPSS-GXSJLCMTSA-N 1 2 239.319 0.721 20 0 BCADLO CC[N@H+](C)CCNC(=O)c1cccc2[nH]nnc21 ZINC000183614534 367032296 /nfs/dbraw/zinc/03/22/96/367032296.db2.gz VVQWWEKWIIKBSK-UHFFFAOYSA-N 1 2 247.302 0.639 20 0 BCADLO CC[N@@H+](C)CCNC(=O)c1cccc2[nH]nnc21 ZINC000183614534 367032298 /nfs/dbraw/zinc/03/22/98/367032298.db2.gz VVQWWEKWIIKBSK-UHFFFAOYSA-N 1 2 247.302 0.639 20 0 BCADLO C[C@H]1COCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579977191 367112520 /nfs/dbraw/zinc/11/25/20/367112520.db2.gz ZULFKAUTPGLDQH-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000185167841 367123114 /nfs/dbraw/zinc/12/31/14/367123114.db2.gz FJSWSUQMGSVPHU-VIFPVBQESA-N 1 2 224.308 0.571 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000185167841 367123119 /nfs/dbraw/zinc/12/31/19/367123119.db2.gz FJSWSUQMGSVPHU-VIFPVBQESA-N 1 2 224.308 0.571 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C1CC1 ZINC000579970453 367108606 /nfs/dbraw/zinc/10/86/06/367108606.db2.gz FDJHEJBLKWALCE-KWQFWETISA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C1CC1 ZINC000579970453 367108611 /nfs/dbraw/zinc/10/86/11/367108611.db2.gz FDJHEJBLKWALCE-KWQFWETISA-N 1 2 237.303 0.475 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000579972867 367110183 /nfs/dbraw/zinc/11/01/83/367110183.db2.gz NBHVSOHSDZGQAL-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CCN(C)C(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000579972867 367110187 /nfs/dbraw/zinc/11/01/87/367110187.db2.gz NBHVSOHSDZGQAL-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO C[C@H](O)C[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193386973 367172192 /nfs/dbraw/zinc/17/21/92/367172192.db2.gz AXHJCPUBVJAUTM-ONGXEEELSA-N 1 2 225.292 0.381 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC(C)(O)C1 ZINC000622284368 370821721 /nfs/dbraw/zinc/82/17/21/370821721.db2.gz ZUIGCFDPPODZGQ-UHFFFAOYSA-N 1 2 237.303 0.540 20 0 BCADLO CN(C)[C@@H](C(=O)N1CCC1)c1c[nH+]cn1C ZINC000622285282 370821868 /nfs/dbraw/zinc/82/18/68/370821868.db2.gz IWTBRGWFIOIRAI-SNVBAGLBSA-N 1 2 222.292 0.255 20 0 BCADLO CCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622301135 370831970 /nfs/dbraw/zinc/83/19/70/370831970.db2.gz PCRJMXLZNCJUKR-UHFFFAOYSA-N 1 2 239.319 0.918 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](O)[C@@H](CO)C1 ZINC000580845021 367187401 /nfs/dbraw/zinc/18/74/01/367187401.db2.gz XAJURSJTGBOIQB-GHMZBOCLSA-N 1 2 237.303 0.273 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](O)[C@H](CO)C1 ZINC000580845023 367187412 /nfs/dbraw/zinc/18/74/12/367187412.db2.gz XAJURSJTGBOIQB-QWRGUYRKSA-N 1 2 237.303 0.273 20 0 BCADLO CCOC[C@@H](O)C[NH+]1CC(OCCCOC)C1 ZINC000193834345 367218400 /nfs/dbraw/zinc/21/84/00/367218400.db2.gz ICKWXVOVZUDXCP-NSHDSACASA-N 1 2 247.335 0.121 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)c2nccn21 ZINC000581136901 367273177 /nfs/dbraw/zinc/27/31/77/367273177.db2.gz HKXOHDAMCDLNTP-VHSXEESVSA-N 1 2 245.286 0.902 20 0 BCADLO CCn1cccc1C[NH+]1CC(N2CCNC2=O)C1 ZINC000581176696 367284422 /nfs/dbraw/zinc/28/44/22/367284422.db2.gz FTDIZRWXIBWTTD-UHFFFAOYSA-N 1 2 248.330 0.717 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000581008151 367232797 /nfs/dbraw/zinc/23/27/97/367232797.db2.gz AIQNXAVYFHUKFZ-GFCCVEGCSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000581008151 367232804 /nfs/dbraw/zinc/23/28/04/367232804.db2.gz AIQNXAVYFHUKFZ-GFCCVEGCSA-N 1 2 236.319 0.649 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1nccs1 ZINC000581319030 367345534 /nfs/dbraw/zinc/34/55/34/367345534.db2.gz OSRLXTDULRLFFK-NSHDSACASA-N 1 2 237.328 0.998 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1nccs1 ZINC000581319030 367345538 /nfs/dbraw/zinc/34/55/38/367345538.db2.gz OSRLXTDULRLFFK-NSHDSACASA-N 1 2 237.328 0.998 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000581188442 367288187 /nfs/dbraw/zinc/28/81/87/367288187.db2.gz PIZWNWNLXMFNJN-MNOVXSKESA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000581188442 367288195 /nfs/dbraw/zinc/28/81/95/367288195.db2.gz PIZWNWNLXMFNJN-MNOVXSKESA-N 1 2 243.351 0.803 20 0 BCADLO C[C@@H](CC(=O)N1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000581194582 367291051 /nfs/dbraw/zinc/29/10/51/367291051.db2.gz FWYDJZFKHGUGJN-QWRGUYRKSA-N 1 2 237.303 0.818 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000380785835 367303130 /nfs/dbraw/zinc/30/31/30/367303130.db2.gz CVPQUEFWVQTNCG-DTWKUNHWSA-N 1 2 223.276 0.159 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000380785838 367303746 /nfs/dbraw/zinc/30/37/46/367303746.db2.gz CVPQUEFWVQTNCG-IUCAKERBSA-N 1 2 223.276 0.159 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)COCC(C)C ZINC000194896361 367324882 /nfs/dbraw/zinc/32/48/82/367324882.db2.gz AFMYSYIGABMQLD-JTQLQIEISA-N 1 2 233.308 0.125 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)COCC(C)C ZINC000194896361 367324886 /nfs/dbraw/zinc/32/48/86/367324886.db2.gz AFMYSYIGABMQLD-JTQLQIEISA-N 1 2 233.308 0.125 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCC(=O)CC2)C1 ZINC000381903410 367468525 /nfs/dbraw/zinc/46/85/25/367468525.db2.gz XBWYIFZWKSLGPS-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1CSC1 ZINC000630896050 367525308 /nfs/dbraw/zinc/52/53/08/367525308.db2.gz ABXNTGZYRNJCTG-UHFFFAOYSA-N 1 2 244.360 0.140 20 0 BCADLO CCOC1C[NH+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000383120705 367598053 /nfs/dbraw/zinc/59/80/53/367598053.db2.gz BNDXKFPUXQCFGR-MNOVXSKESA-N 1 2 247.335 0.120 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC1 ZINC000565718646 325943739 /nfs/dbraw/zinc/94/37/39/325943739.db2.gz PGJXMTSGEHOVLA-VIFPVBQESA-N 1 2 205.261 0.678 20 0 BCADLO Cn1c[nH+]cc1CCCSc1n[nH]c(=O)[nH]1 ZINC000581560126 367590547 /nfs/dbraw/zinc/59/05/47/367590547.db2.gz WUXRNNYWCYWYFM-UHFFFAOYSA-N 1 2 239.304 0.969 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000383580670 367640776 /nfs/dbraw/zinc/64/07/76/367640776.db2.gz LUHPZSAYSWSSBT-MNOVXSKESA-N 1 2 237.303 0.645 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](O)C(F)F ZINC000566015047 325981782 /nfs/dbraw/zinc/98/17/82/325981782.db2.gz FXTQEDBDGWCSRR-VXNVDRBHSA-N 1 2 247.245 0.404 20 0 BCADLO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)OCC ZINC000581670171 367700667 /nfs/dbraw/zinc/70/06/67/367700667.db2.gz UHBPEYCSMRFZJE-VHSXEESVSA-N 1 2 217.309 0.936 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000581660655 367660634 /nfs/dbraw/zinc/66/06/34/367660634.db2.gz NEIZPLOTKINNTL-HBNTYKKESA-N 1 2 249.314 0.739 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384778292 367731345 /nfs/dbraw/zinc/73/13/45/367731345.db2.gz AHSCGLJDTNZBRJ-SNVBAGLBSA-N 1 2 222.292 0.129 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccsn1 ZINC000622366486 370870871 /nfs/dbraw/zinc/87/08/71/370870871.db2.gz FIBVMMGFEQANII-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn(CC2CC2)nn1 ZINC000622366389 370871091 /nfs/dbraw/zinc/87/10/91/370871091.db2.gz BGEHRWFBMMPVHX-UHFFFAOYSA-N 1 2 246.274 0.341 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384643110 367711542 /nfs/dbraw/zinc/71/15/42/367711542.db2.gz SUJNIAOORCRZDR-XSPKLOCKSA-N 1 2 201.266 0.703 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1c[nH+]c[nH]1 ZINC000622384844 370881388 /nfs/dbraw/zinc/88/13/88/370881388.db2.gz ULMGWGBUIGYPLU-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1c[nH]c[nH+]1 ZINC000622384844 370881391 /nfs/dbraw/zinc/88/13/91/370881391.db2.gz ULMGWGBUIGYPLU-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2c1CCC2 ZINC000622384605 370881487 /nfs/dbraw/zinc/88/14/87/370881487.db2.gz LPIVJFNEZUMWOS-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2c1CCC2 ZINC000622384605 370881492 /nfs/dbraw/zinc/88/14/92/370881492.db2.gz LPIVJFNEZUMWOS-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384762 370882580 /nfs/dbraw/zinc/88/25/80/370882580.db2.gz RCVPLQRYXBXIAL-SECBINFHSA-N 1 2 211.265 0.841 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384762 370882583 /nfs/dbraw/zinc/88/25/83/370882583.db2.gz RCVPLQRYXBXIAL-SECBINFHSA-N 1 2 211.265 0.841 20 0 BCADLO CCOc1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000622366998 370872028 /nfs/dbraw/zinc/87/20/28/370872028.db2.gz XZGRATVUBNCZJE-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO CC(=O)N1CC([NH2+][C@H]2C[C@H](C)n3ccnc32)C1 ZINC000581834531 367838625 /nfs/dbraw/zinc/83/86/25/367838625.db2.gz RZHNJTNIAFLAKM-KWQFWETISA-N 1 2 234.303 0.709 20 0 BCADLO COCCOC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000581858048 367844965 /nfs/dbraw/zinc/84/49/65/367844965.db2.gz RHCUXAJKQHZLCD-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO Cn1ncc2c1nc[nH+]c2SCCC(N)=O ZINC000011685939 367925426 /nfs/dbraw/zinc/92/54/26/367925426.db2.gz NHESOACGWWGNCA-UHFFFAOYSA-N 1 2 237.288 0.331 20 0 BCADLO NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023263945 367992019 /nfs/dbraw/zinc/99/20/19/367992019.db2.gz CLQPYZLUHFLRIV-UHFFFAOYSA-N 1 2 239.344 0.351 20 0 BCADLO COc1cccnc1C(=O)NCc1[nH+]ccn1C ZINC000630922234 367957362 /nfs/dbraw/zinc/95/73/62/367957362.db2.gz LBKRWHPBKWWDMO-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO C[C@@H](CC(=O)N1CCOCCN1)n1cc[nH+]c1 ZINC000615483497 368059544 /nfs/dbraw/zinc/05/95/44/368059544.db2.gz NDZBEKSKPYNNIT-JTQLQIEISA-N 1 2 238.291 0.198 20 0 BCADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H](C)O ZINC000386719739 368012768 /nfs/dbraw/zinc/01/27/68/368012768.db2.gz RRALEIHCCGJEMB-IONNQARKSA-N 1 2 235.291 0.935 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000032539758 368258709 /nfs/dbraw/zinc/25/87/09/368258709.db2.gz REBUOSIVZIXCHE-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000032539758 368258716 /nfs/dbraw/zinc/25/87/16/368258716.db2.gz REBUOSIVZIXCHE-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CCCNC(=O)C1CC[NH+](CC(=O)OC)CC1 ZINC000042686555 368317394 /nfs/dbraw/zinc/31/73/94/368317394.db2.gz NBUZVFCQBZCQPQ-UHFFFAOYSA-N 1 2 242.319 0.398 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCOC1 ZINC000615762114 368279648 /nfs/dbraw/zinc/27/96/48/368279648.db2.gz FEWYVRAKSXYYQW-VIFPVBQESA-N 1 2 221.260 0.262 20 0 BCADLO CC(C)(C)C(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000041391572 368281202 /nfs/dbraw/zinc/28/12/02/368281202.db2.gz JMAGVAIIHACJFC-UHFFFAOYSA-N 1 2 223.276 0.615 20 0 BCADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCOC1 ZINC000615762381 368281251 /nfs/dbraw/zinc/28/12/51/368281251.db2.gz FBRSYTKILOTKDH-UHFFFAOYSA-N 1 2 244.254 0.697 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCOC1 ZINC000615766321 368295465 /nfs/dbraw/zinc/29/54/65/368295465.db2.gz QRZARVSHRWBSPB-UHFFFAOYSA-N 1 2 209.249 0.169 20 0 BCADLO NC(=O)CCn1c2ccccc2[nH+]c1NCCO ZINC000046437893 368444725 /nfs/dbraw/zinc/44/47/25/368444725.db2.gz SGIGPUOGDZTECD-UHFFFAOYSA-N 1 2 248.286 0.316 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000046512491 368446435 /nfs/dbraw/zinc/44/64/35/368446435.db2.gz PTBISWJNXXCOIL-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000046512491 368446439 /nfs/dbraw/zinc/44/64/39/368446439.db2.gz PTBISWJNXXCOIL-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO CC[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046884484 368452961 /nfs/dbraw/zinc/45/29/61/368452961.db2.gz MVKBVTLISQJGOY-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CCO[C@@H](CC)C(=O)NCCn1cc[nH+]c1 ZINC000057211990 368486995 /nfs/dbraw/zinc/48/69/95/368486995.db2.gz XTCLQJLOFIRNEG-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO COCCOCCC(=O)NCCn1cc[nH+]c1 ZINC000063267867 368582444 /nfs/dbraw/zinc/58/24/44/368582444.db2.gz VGUBYWYRFMFCIZ-UHFFFAOYSA-N 1 2 241.291 0.052 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnccn1 ZINC000063707212 368592588 /nfs/dbraw/zinc/59/25/88/368592588.db2.gz LRNHZCZNVGRQCI-UHFFFAOYSA-N 1 2 243.270 0.714 20 0 BCADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCOC1 ZINC000108868193 368600724 /nfs/dbraw/zinc/60/07/24/368600724.db2.gz GJBWZHMYWHLZHH-SNVBAGLBSA-N 1 2 248.286 0.243 20 0 BCADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCOC1 ZINC000108868193 368600725 /nfs/dbraw/zinc/60/07/25/368600725.db2.gz GJBWZHMYWHLZHH-SNVBAGLBSA-N 1 2 248.286 0.243 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517922 368608535 /nfs/dbraw/zinc/60/85/35/368608535.db2.gz GGPXJGCRDLDIHG-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064517922 368608540 /nfs/dbraw/zinc/60/85/40/368608540.db2.gz GGPXJGCRDLDIHG-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CCCCCNC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000064628826 368609743 /nfs/dbraw/zinc/60/97/43/368609743.db2.gz XTJJEDDXOKAEHJ-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO CCCCCNC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000064628826 368609749 /nfs/dbraw/zinc/60/97/49/368609749.db2.gz XTJJEDDXOKAEHJ-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC[C@H]1O ZINC000253195323 368613143 /nfs/dbraw/zinc/61/31/43/368613143.db2.gz QCEYNNKALLHXHO-MWLCHTKSSA-N 1 2 222.288 0.781 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000066921579 368668576 /nfs/dbraw/zinc/66/85/76/368668576.db2.gz BDSRPTKYOCEQLY-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](CNC(=O)c1ccon1)[NH+]1CCOCC1 ZINC000067290823 368683603 /nfs/dbraw/zinc/68/36/03/368683603.db2.gz GDTHKSOCZNXVJQ-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622467240 370940188 /nfs/dbraw/zinc/94/01/88/370940188.db2.gz NHQSEHMVEKWGAC-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000070925192 368766777 /nfs/dbraw/zinc/76/67/77/368766777.db2.gz XBKAGOYNXBROLI-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CC(C)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH]cc[nH+]1 ZINC000615954528 368770391 /nfs/dbraw/zinc/77/03/91/368770391.db2.gz QHZRIRARGLVEAE-BRPSZJMVSA-N 1 2 235.287 0.653 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H](O)C2CC2)c2[nH+]ccn21 ZINC000615965307 368805153 /nfs/dbraw/zinc/80/51/53/368805153.db2.gz YKAXKGWZOALJTC-SZEHBUNVSA-N 1 2 235.287 0.776 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000073558574 368809012 /nfs/dbraw/zinc/80/90/12/368809012.db2.gz COQZPLODZRYNJA-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000074454717 368844118 /nfs/dbraw/zinc/84/41/18/368844118.db2.gz KLBOFZDUZONOHF-UHFFFAOYSA-N 1 2 222.292 0.691 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c2[nH+]ccn21 ZINC000615962554 368798361 /nfs/dbraw/zinc/79/83/61/368798361.db2.gz DSSPYPIXILRVHK-FBDQPXRJSA-N 1 2 247.298 0.898 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N2)c[nH+]1 ZINC000616114891 368960057 /nfs/dbraw/zinc/96/00/57/368960057.db2.gz FIHHBJWMBZUPDC-SNVBAGLBSA-N 1 2 233.271 0.203 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H](C)C1=O ZINC000618094918 369063761 /nfs/dbraw/zinc/06/37/61/369063761.db2.gz YCJYNMFJYULKRK-GHMZBOCLSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000618098631 369065220 /nfs/dbraw/zinc/06/52/20/369065220.db2.gz QEZCERYSWDXHGZ-RKDXNWHRSA-N 1 2 249.314 0.944 20 0 BCADLO CCn1cc(CNC(=O)c2c[nH+]c(C)[nH]2)nn1 ZINC000618154068 369072547 /nfs/dbraw/zinc/07/25/47/369072547.db2.gz QDOLTQWEGRQUGI-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCCO1 ZINC000457441616 203064032 /nfs/dbraw/zinc/06/40/32/203064032.db2.gz MCCGGUQDWMNYBQ-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457862355 203113088 /nfs/dbraw/zinc/11/30/88/203113088.db2.gz QMBIPOLJMJGWPR-MNOVXSKESA-N 1 2 237.303 0.504 20 0 BCADLO C[C@H]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000618577632 369176515 /nfs/dbraw/zinc/17/65/15/369176515.db2.gz SFGFANYCMCZPPJ-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000618704666 369201523 /nfs/dbraw/zinc/20/15/23/369201523.db2.gz BLQUKTUAYHBTGB-DGCLKSJQSA-N 1 2 249.314 0.768 20 0 BCADLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000106838740 369192886 /nfs/dbraw/zinc/19/28/86/369192886.db2.gz OCODBKBJDQRFQV-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618716737 369204154 /nfs/dbraw/zinc/20/41/54/369204154.db2.gz ZEXUZCOCRAGKFS-GXFFZTMASA-N 1 2 249.314 0.458 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cn(C)cn1 ZINC000618905534 369236153 /nfs/dbraw/zinc/23/61/53/369236153.db2.gz QNZBEHWUUKXUPO-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cn(C)cn1 ZINC000618905534 369236157 /nfs/dbraw/zinc/23/61/57/369236157.db2.gz QNZBEHWUUKXUPO-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000618905534 369236162 /nfs/dbraw/zinc/23/61/62/369236162.db2.gz QNZBEHWUUKXUPO-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C)CC1 ZINC000156228785 326222942 /nfs/dbraw/zinc/22/29/42/326222942.db2.gz RLVXLGBISRFXDI-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619075057 369275147 /nfs/dbraw/zinc/27/51/47/369275147.db2.gz LLPRTGUQESPBOL-WDEREUQCSA-N 1 2 249.314 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619075057 369275153 /nfs/dbraw/zinc/27/51/53/369275153.db2.gz LLPRTGUQESPBOL-WDEREUQCSA-N 1 2 249.314 0.762 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)CC ZINC000459402709 203275013 /nfs/dbraw/zinc/27/50/13/203275013.db2.gz PEHORVPUBHCBME-GUBZILKMSA-N 1 2 217.309 0.935 20 0 BCADLO COCCOC1C[NH+](Cc2ccncc2)C1 ZINC000459457646 203285068 /nfs/dbraw/zinc/28/50/68/203285068.db2.gz GLTCVNYMDIDPCC-UHFFFAOYSA-N 1 2 222.288 0.929 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC2(CCC2)C1)[C@H](C)O ZINC000459518147 203294610 /nfs/dbraw/zinc/29/46/10/203294610.db2.gz WYNSZIDHFRYKOI-WCBMZHEXSA-N 1 2 227.304 0.831 20 0 BCADLO COCCOC1C[NH+](Cc2cccn2C)C1 ZINC000459456943 203284404 /nfs/dbraw/zinc/28/44/04/203284404.db2.gz FTVNMMTYVMIELR-UHFFFAOYSA-N 1 2 224.304 0.872 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cncc(C)n1 ZINC000402615138 369387876 /nfs/dbraw/zinc/38/78/76/369387876.db2.gz RDYCSBQKMBHOES-UHFFFAOYSA-N 1 2 223.276 0.432 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cncc(C)n1 ZINC000402615138 369387878 /nfs/dbraw/zinc/38/78/78/369387878.db2.gz RDYCSBQKMBHOES-UHFFFAOYSA-N 1 2 223.276 0.432 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1cncc(C)n1 ZINC000402613150 369388328 /nfs/dbraw/zinc/38/83/28/369388328.db2.gz QFNWOQVCUMGEFH-LBPRGKRZSA-N 1 2 249.314 0.965 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1cncc(C)n1 ZINC000402613150 369388330 /nfs/dbraw/zinc/38/83/30/369388330.db2.gz QFNWOQVCUMGEFH-LBPRGKRZSA-N 1 2 249.314 0.965 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccnn2CC)C1 ZINC000459600492 203312066 /nfs/dbraw/zinc/31/20/66/203312066.db2.gz ASJSMDSRODOKJQ-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CCOCC1 ZINC000619433739 369352914 /nfs/dbraw/zinc/35/29/14/369352914.db2.gz SXTAWECGGAWQAN-QWRGUYRKSA-N 1 2 245.294 0.998 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CCOCC1 ZINC000619433739 369352918 /nfs/dbraw/zinc/35/29/18/369352918.db2.gz SXTAWECGGAWQAN-QWRGUYRKSA-N 1 2 245.294 0.998 20 0 BCADLO CC[C@@H](O)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459564979 203302892 /nfs/dbraw/zinc/30/28/92/203302892.db2.gz WXNDZOAVNWSAFY-MWLCHTKSSA-N 1 2 233.308 0.315 20 0 BCADLO COCC(=O)NC1C[NH+](Cc2cccnc2C)C1 ZINC000459618914 203318536 /nfs/dbraw/zinc/31/85/36/203318536.db2.gz NDPVYQMBXIXDRC-UHFFFAOYSA-N 1 2 249.314 0.337 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622496585 370960394 /nfs/dbraw/zinc/96/03/94/370960394.db2.gz AFQBVAIITPRQHU-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@H](OC)C(=O)NCCc1c[nH+]cn1C ZINC000622503629 370966936 /nfs/dbraw/zinc/96/69/36/370966936.db2.gz HLQWOHYGMVYREL-NSHDSACASA-N 1 2 239.319 0.894 20 0 BCADLO CC[C@H](O)CC(=O)NCCc1c[nH+]cn1C ZINC000622504166 370967565 /nfs/dbraw/zinc/96/75/65/370967565.db2.gz QSRHMOUUSYZXKE-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H]1CC(=O)N(C)C1 ZINC000567915149 326282857 /nfs/dbraw/zinc/28/28/57/326282857.db2.gz IZNMVIFVGWUKCQ-VIFPVBQESA-N 1 2 220.276 0.736 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000620060721 369692293 /nfs/dbraw/zinc/69/22/93/369692293.db2.gz JPKKYHDVUFGLRX-RKDXNWHRSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000620060721 369692296 /nfs/dbraw/zinc/69/22/96/369692296.db2.gz JPKKYHDVUFGLRX-RKDXNWHRSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000620060718 369692568 /nfs/dbraw/zinc/69/25/68/369692568.db2.gz JPKKYHDVUFGLRX-BDAKNGLRSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000620060718 369692572 /nfs/dbraw/zinc/69/25/72/369692572.db2.gz JPKKYHDVUFGLRX-BDAKNGLRSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000620061964 369694474 /nfs/dbraw/zinc/69/44/74/369694474.db2.gz ZZAJPCDKMVVEFP-ZJUUUORDSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](CC(=O)NC1([C@H](C)O)CC1)n1cc[nH+]c1 ZINC000620075343 369708745 /nfs/dbraw/zinc/70/87/45/369708745.db2.gz SFQMDDVSNXFFIU-ZJUUUORDSA-N 1 2 237.303 0.864 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620132621 369743019 /nfs/dbraw/zinc/74/30/19/369743019.db2.gz IMPYKUYSXMSTTI-MNOVXSKESA-N 1 2 235.287 0.378 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620141690 369746895 /nfs/dbraw/zinc/74/68/95/369746895.db2.gz XTPXCEFIGZBTTC-MNOVXSKESA-N 1 2 249.314 0.756 20 0 BCADLO C[C@H](NC(=O)[C@](C)(O)C1CC1)c1[nH+]ccn1C ZINC000620610071 369957204 /nfs/dbraw/zinc/95/72/04/369957204.db2.gz VEDCUYYSIWGCCA-QPUJVOFHSA-N 1 2 237.303 0.758 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000620543757 369910872 /nfs/dbraw/zinc/91/08/72/369910872.db2.gz PQENYULDDPAHJZ-UISBYWKRSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000620543757 369910877 /nfs/dbraw/zinc/91/08/77/369910877.db2.gz PQENYULDDPAHJZ-UISBYWKRSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H](NC(=O)c1csnn1)c1[nH+]ccn1C ZINC000620597615 369947668 /nfs/dbraw/zinc/94/76/68/369947668.db2.gz XUJUIDSXGQXOBZ-ZCFIWIBFSA-N 1 2 237.288 0.763 20 0 BCADLO Cn1cc(CCC[NH+]2CCS(=O)CC2)cn1 ZINC000111225049 370113476 /nfs/dbraw/zinc/11/34/76/370113476.db2.gz XLDDTNMEKYKUMS-UHFFFAOYSA-N 1 2 241.360 0.417 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCCOCCF ZINC000621092601 370101390 /nfs/dbraw/zinc/10/13/90/370101390.db2.gz XEAUKIUJGJRRHO-UHFFFAOYSA-N 1 2 229.255 0.363 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCCOCCF ZINC000621092601 370101394 /nfs/dbraw/zinc/10/13/94/370101394.db2.gz XEAUKIUJGJRRHO-UHFFFAOYSA-N 1 2 229.255 0.363 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cncc(Cl)c1 ZINC000621246562 370181988 /nfs/dbraw/zinc/18/19/88/370181988.db2.gz IXMWANPUNIJJDE-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621246562 370181992 /nfs/dbraw/zinc/18/19/92/370181992.db2.gz IXMWANPUNIJJDE-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO C[C@@](O)(CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000310181653 370316598 /nfs/dbraw/zinc/31/65/98/370316598.db2.gz WNFHIOFZFKIOFQ-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO CCOc1cncc(C[NH2+]Cc2cn(C)nn2)c1 ZINC000621343777 370277459 /nfs/dbraw/zinc/27/74/59/370277459.db2.gz RAPVPSKAUKVSIU-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621364764 370299032 /nfs/dbraw/zinc/29/90/32/370299032.db2.gz KPQMCEBMAFSPNP-PSASIEDQSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621364764 370299036 /nfs/dbraw/zinc/29/90/36/370299036.db2.gz KPQMCEBMAFSPNP-PSASIEDQSA-N 1 2 225.292 0.828 20 0 BCADLO COC(=O)[C@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234408 326331141 /nfs/dbraw/zinc/33/11/41/326331141.db2.gz OLTGLPUALJTRQI-HTQZYQBOSA-N 1 2 239.275 0.786 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000621710136 370456023 /nfs/dbraw/zinc/45/60/23/370456023.db2.gz ULZCRYIEFHVNSO-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccnc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000621710136 370456026 /nfs/dbraw/zinc/45/60/26/370456026.db2.gz ULZCRYIEFHVNSO-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000621722656 370473216 /nfs/dbraw/zinc/47/32/16/370473216.db2.gz DQDZXISLTBBPQG-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000621722656 370473219 /nfs/dbraw/zinc/47/32/19/370473219.db2.gz DQDZXISLTBBPQG-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000621722219 370473528 /nfs/dbraw/zinc/47/35/28/370473528.db2.gz ORXCIYIREGUKIQ-GFCCVEGCSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000621722219 370473534 /nfs/dbraw/zinc/47/35/34/370473534.db2.gz ORXCIYIREGUKIQ-GFCCVEGCSA-N 1 2 248.330 0.301 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1nccnc1C ZINC000621728902 370481788 /nfs/dbraw/zinc/48/17/88/370481788.db2.gz CAQVMCMDANBKTF-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1nccnc1C ZINC000621728902 370481791 /nfs/dbraw/zinc/48/17/91/370481791.db2.gz CAQVMCMDANBKTF-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621923322 370601896 /nfs/dbraw/zinc/60/18/96/370601896.db2.gz JCNVHNOWJKIJSF-SECBINFHSA-N 1 2 239.319 0.965 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2[nH+]ccn2C)[nH]1 ZINC000621854910 370566519 /nfs/dbraw/zinc/56/65/19/370566519.db2.gz ODZFRNZUKWAVLB-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000622667349 371047569 /nfs/dbraw/zinc/04/75/69/371047569.db2.gz BGGCVFBGOZVUOE-JTQLQIEISA-N 1 2 249.314 0.839 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nccs1 ZINC000070159362 371008533 /nfs/dbraw/zinc/00/85/33/371008533.db2.gz DMHUUWKQHXLVCJ-SSDOTTSWSA-N 1 2 213.306 0.757 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1C1CC1 ZINC000622637279 371027716 /nfs/dbraw/zinc/02/77/16/371027716.db2.gz VGHYGZUMSAHNJT-LLVKDONJSA-N 1 2 219.288 0.974 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)Cc2cnn(C)c2)c[nH+]1 ZINC000622653067 371039477 /nfs/dbraw/zinc/03/94/77/371039477.db2.gz GGUXNTYBEGYGAJ-MRVPVSSYSA-N 1 2 247.302 0.813 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000622656598 371042866 /nfs/dbraw/zinc/04/28/66/371042866.db2.gz HALZUWKMVLQPSW-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO CC1CC(NC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623729677 371071561 /nfs/dbraw/zinc/07/15/61/371071561.db2.gz JLKFYDCPLQTYFR-ILDUYXDCSA-N 1 2 241.335 0.415 20 0 BCADLO CC1CC(NC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623729677 371071566 /nfs/dbraw/zinc/07/15/66/371071566.db2.gz JLKFYDCPLQTYFR-ILDUYXDCSA-N 1 2 241.335 0.415 20 0 BCADLO CC1(C[NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC000568856427 326379514 /nfs/dbraw/zinc/37/95/14/326379514.db2.gz ZYTMOVDLIKSEOO-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO CCOC(=O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276390323 371137411 /nfs/dbraw/zinc/13/74/11/371137411.db2.gz FSJWQVCCQJOEBJ-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO CCOC(=O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276390323 371137414 /nfs/dbraw/zinc/13/74/14/371137414.db2.gz FSJWQVCCQJOEBJ-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO COC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000154966694 371186378 /nfs/dbraw/zinc/18/63/78/371186378.db2.gz QTFVYGSLRMWSKR-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO Cn1cnc(C[NH2+]C[C@](C)(O)C(F)(F)F)n1 ZINC000390264089 371192468 /nfs/dbraw/zinc/19/24/68/371192468.db2.gz PBFXDCXFTAOBBQ-ZETCQYMHSA-N 1 2 238.213 0.218 20 0 BCADLO Cc1ccc2c(c1)CCN2c1nc(N)[nH+]c(N)n1 ZINC000624083760 371297936 /nfs/dbraw/zinc/29/79/36/371297936.db2.gz BQSYMTTWEMEREL-UHFFFAOYSA-N 1 2 242.286 0.699 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624124544 371325700 /nfs/dbraw/zinc/32/57/00/371325700.db2.gz FPKHKUOPRTVGAB-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624124544 371325705 /nfs/dbraw/zinc/32/57/05/371325705.db2.gz FPKHKUOPRTVGAB-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO c1cnc(NC2CC([NH+]3CCOCC3)C2)nc1 ZINC000624331492 371485151 /nfs/dbraw/zinc/48/51/51/371485151.db2.gz BSFSRXQROIGGOF-UHFFFAOYSA-N 1 2 234.303 0.752 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252125 371436829 /nfs/dbraw/zinc/43/68/29/371436829.db2.gz AGDMAELOSCAIAF-PWSUYJOCSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252125 371436834 /nfs/dbraw/zinc/43/68/34/371436834.db2.gz AGDMAELOSCAIAF-PWSUYJOCSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252123 371436972 /nfs/dbraw/zinc/43/69/72/371436972.db2.gz AGDMAELOSCAIAF-CMPLNLGQSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252123 371436977 /nfs/dbraw/zinc/43/69/77/371436977.db2.gz AGDMAELOSCAIAF-CMPLNLGQSA-N 1 2 249.314 0.719 20 0 BCADLO Nc1ccoc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000313164974 181765383 /nfs/dbraw/zinc/76/53/83/181765383.db2.gz QVUHKNXZWQAQTR-UHFFFAOYSA-N 1 2 235.287 0.782 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000624618450 371551404 /nfs/dbraw/zinc/55/14/04/371551404.db2.gz BLDANSFHRPUAPG-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000624618450 371551411 /nfs/dbraw/zinc/55/14/11/371551411.db2.gz BLDANSFHRPUAPG-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO COc1cccnc1NC[C@H]1COCC[N@@H+]1C ZINC000624621468 371551646 /nfs/dbraw/zinc/55/16/46/371551646.db2.gz AMXPZTKFGVKYRD-JTQLQIEISA-N 1 2 237.303 0.833 20 0 BCADLO COc1cccnc1NC[C@H]1COCC[N@H+]1C ZINC000624621468 371551655 /nfs/dbraw/zinc/55/16/55/371551655.db2.gz AMXPZTKFGVKYRD-JTQLQIEISA-N 1 2 237.303 0.833 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)nn1C ZINC000627365925 371585801 /nfs/dbraw/zinc/58/58/01/371585801.db2.gz CILVASCZLDEHQR-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)nn1C ZINC000627365925 371585806 /nfs/dbraw/zinc/58/58/06/371585806.db2.gz CILVASCZLDEHQR-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)n1cccn1 ZINC000627366492 371586120 /nfs/dbraw/zinc/58/61/20/371586120.db2.gz SQZUPIDWWJEMBD-SECBINFHSA-N 1 2 245.286 0.752 20 0 BCADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)n1cccn1 ZINC000627366492 371586121 /nfs/dbraw/zinc/58/61/21/371586121.db2.gz SQZUPIDWWJEMBD-SECBINFHSA-N 1 2 245.286 0.752 20 0 BCADLO CCc1nc(C(=O)N2CCc3[nH]c[nH+]c3C2)no1 ZINC000627370184 371588125 /nfs/dbraw/zinc/58/81/25/371588125.db2.gz QBFSDYFACCDNEE-UHFFFAOYSA-N 1 2 247.258 0.554 20 0 BCADLO CCc1nc(C(=O)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000627370184 371588133 /nfs/dbraw/zinc/58/81/33/371588133.db2.gz QBFSDYFACCDNEE-UHFFFAOYSA-N 1 2 247.258 0.554 20 0 BCADLO CCn1ccnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371498 371590000 /nfs/dbraw/zinc/59/00/00/371590000.db2.gz HLDPFDBEDGDADB-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1ccnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371498 371590007 /nfs/dbraw/zinc/59/00/07/371590007.db2.gz HLDPFDBEDGDADB-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO Cc1nnc(C(=O)N2CCc3[nH]c[nH+]c3C2)s1 ZINC000627373063 371592422 /nfs/dbraw/zinc/59/24/22/371592422.db2.gz FYHXHXXKDQKKDK-UHFFFAOYSA-N 1 2 249.299 0.768 20 0 BCADLO Cc1nnc(C(=O)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000627373063 371592428 /nfs/dbraw/zinc/59/24/28/371592428.db2.gz FYHXHXXKDQKKDK-UHFFFAOYSA-N 1 2 249.299 0.768 20 0 BCADLO C[C@@H](NC(=O)c1cn(C2CC2)nn1)c1[nH]cc[nH+]1 ZINC000627465577 371638880 /nfs/dbraw/zinc/63/88/80/371638880.db2.gz ITJZUPBQYHQJQL-SSDOTTSWSA-N 1 2 246.274 0.827 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080952 371781010 /nfs/dbraw/zinc/78/10/10/371781010.db2.gz WALLTWIFSWIBJX-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080952 371781012 /nfs/dbraw/zinc/78/10/12/371781012.db2.gz WALLTWIFSWIBJX-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COC[C@@H](O)CCNc1[nH+]cccc1OC ZINC000230146266 371860767 /nfs/dbraw/zinc/86/07/67/371860767.db2.gz IMIFSFQREUCHCO-VIFPVBQESA-N 1 2 226.276 0.900 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305759722 371959797 /nfs/dbraw/zinc/95/97/97/371959797.db2.gz ISXLHDVPMFVSBI-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305759722 371959803 /nfs/dbraw/zinc/95/98/03/371959803.db2.gz ISXLHDVPMFVSBI-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CC(C)CCOCC[N@@H+]1CCN(C)C(=O)C1 ZINC000133085025 371984470 /nfs/dbraw/zinc/98/44/70/371984470.db2.gz NAHYOBSUIGBAHZ-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CC(C)CCOCC[N@H+]1CCN(C)C(=O)C1 ZINC000133085025 371984474 /nfs/dbraw/zinc/98/44/74/371984474.db2.gz NAHYOBSUIGBAHZ-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO COCCNC(=O)CNc1[nH+]cccc1OC ZINC000228746260 372075925 /nfs/dbraw/zinc/07/59/25/372075925.db2.gz CLAGPPAPRXSELG-UHFFFAOYSA-N 1 2 239.275 0.265 20 0 BCADLO COC(=O)C1([NH2+]C[C@H](C)CO)CCCC1 ZINC000133720536 372094237 /nfs/dbraw/zinc/09/42/37/372094237.db2.gz LMPWRRBFHNOIPM-VIFPVBQESA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229538865 372161822 /nfs/dbraw/zinc/16/18/22/372161822.db2.gz CWNRJMZMAODPDX-VHSXEESVSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229538865 372161825 /nfs/dbraw/zinc/16/18/25/372161825.db2.gz CWNRJMZMAODPDX-VHSXEESVSA-N 1 2 243.303 0.211 20 0 BCADLO CC[C@@H]([NH2+]Cc1ncnn1C(C)C)C(=O)NC ZINC000631154705 372209957 /nfs/dbraw/zinc/20/99/57/372209957.db2.gz NBVYTSPREYNBGW-SECBINFHSA-N 1 2 239.323 0.473 20 0 BCADLO COc1cccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000631208401 372236788 /nfs/dbraw/zinc/23/67/88/372236788.db2.gz XOKRLIUOQRGXCW-UHFFFAOYSA-N 1 2 246.270 0.786 20 0 BCADLO OCC(CO)Nc1cc2ccccc2c[nH+]1 ZINC000631131497 372204918 /nfs/dbraw/zinc/20/49/18/372204918.db2.gz YMBGLGBLWUQUMC-UHFFFAOYSA-N 1 2 218.256 1.000 20 0 BCADLO COCC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000631333633 372300239 /nfs/dbraw/zinc/30/02/39/372300239.db2.gz LBZGZULQQUARCL-UHFFFAOYSA-N 1 2 245.286 0.745 20 0 BCADLO O=C(CCC1(O)CCC1)NCc1[nH]cc[nH+]1 ZINC000631237893 372254646 /nfs/dbraw/zinc/25/46/46/372254646.db2.gz CRXGMEMITREMTM-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H](O)C(F)(F)F ZINC000631237386 372255336 /nfs/dbraw/zinc/25/53/36/372255336.db2.gz UFQGROSVCSKKBF-FSPLSTOPSA-N 1 2 238.213 0.216 20 0 BCADLO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H](O)C(F)(F)F ZINC000631237385 372255521 /nfs/dbraw/zinc/25/55/21/372255521.db2.gz UFQGROSVCSKKBF-CAHLUQPWSA-N 1 2 238.213 0.216 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCCNC2=O)cc[nH+]1 ZINC000631253731 372262006 /nfs/dbraw/zinc/26/20/06/372262006.db2.gz JKMXCODVMJLJMD-JTQLQIEISA-N 1 2 233.271 0.277 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000171041400 372265682 /nfs/dbraw/zinc/26/56/82/372265682.db2.gz IOZZCYHLUCKTDZ-VHSXEESVSA-N 1 2 241.335 0.241 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000171041400 372265684 /nfs/dbraw/zinc/26/56/84/372265684.db2.gz IOZZCYHLUCKTDZ-VHSXEESVSA-N 1 2 241.335 0.241 20 0 BCADLO Cc1nocc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301431 372285654 /nfs/dbraw/zinc/28/56/54/372285654.db2.gz NGFSOSWNNDDEFK-UHFFFAOYSA-N 1 2 232.243 0.877 20 0 BCADLO Cc1noc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000631347248 372306660 /nfs/dbraw/zinc/30/66/60/372306660.db2.gz DJLRVYWMLFSHJO-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO Cc1nc(N[C@@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000631369207 372318922 /nfs/dbraw/zinc/31/89/22/372318922.db2.gz GAJKYUYVMVRCIF-SECBINFHSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1noc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000631391780 372332106 /nfs/dbraw/zinc/33/21/06/372332106.db2.gz PQXPQOHSUSWHNU-UHFFFAOYSA-N 1 2 235.247 0.084 20 0 BCADLO OC[C@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000631427649 372358031 /nfs/dbraw/zinc/35/80/31/372358031.db2.gz MNHPTZPMBNMXDX-OCAPTIKFSA-N 1 2 236.275 0.464 20 0 BCADLO OC[C@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000631427649 372358034 /nfs/dbraw/zinc/35/80/34/372358034.db2.gz MNHPTZPMBNMXDX-OCAPTIKFSA-N 1 2 236.275 0.464 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418774 372575114 /nfs/dbraw/zinc/57/51/14/372575114.db2.gz XWIVGUPWTOOXOL-WDEREUQCSA-N 1 2 226.320 0.433 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N(CCO)C1CCC1 ZINC000288901084 181942122 /nfs/dbraw/zinc/94/21/22/181942122.db2.gz GYTUWVKIAQXLLY-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(C1CC1)C1COC1 ZINC000295694627 181949391 /nfs/dbraw/zinc/94/93/91/181949391.db2.gz ILOZGQWFFQUNSO-UHFFFAOYSA-N 1 2 235.287 0.663 20 0 BCADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C)CC1 ZINC000067472166 372794853 /nfs/dbraw/zinc/79/48/53/372794853.db2.gz SULDHHAEQDPJNJ-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO O=S(=O)(CCCCF)NCc1[nH]cc[nH+]1 ZINC000632142401 372779106 /nfs/dbraw/zinc/77/91/06/372779106.db2.gz BKDRYJSJPKAJFT-UHFFFAOYSA-N 1 2 235.284 0.579 20 0 BCADLO CC1(S(=O)(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000632142765 372779543 /nfs/dbraw/zinc/77/95/43/372779543.db2.gz IDUODOBGLLGNMW-UHFFFAOYSA-N 1 2 215.278 0.382 20 0 BCADLO CNC(=O)CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000171921145 372820347 /nfs/dbraw/zinc/82/03/47/372820347.db2.gz RRMHIEIKBKTMGZ-UHFFFAOYSA-N 1 2 234.303 0.926 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(F)F ZINC000171992103 372849513 /nfs/dbraw/zinc/84/95/13/372849513.db2.gz BYHKRJOEMLXJCS-RNFRBKRXSA-N 1 2 206.236 0.837 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(F)F ZINC000171992103 372849524 /nfs/dbraw/zinc/84/95/24/372849524.db2.gz BYHKRJOEMLXJCS-RNFRBKRXSA-N 1 2 206.236 0.837 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000171994612 372852929 /nfs/dbraw/zinc/85/29/29/372852929.db2.gz ANSQYIKUPLJJCI-SSDOTTSWSA-N 1 2 206.236 0.710 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171994612 372852936 /nfs/dbraw/zinc/85/29/36/372852936.db2.gz ANSQYIKUPLJJCI-SSDOTTSWSA-N 1 2 206.236 0.710 20 0 BCADLO Cc1nocc1C(=O)NCCc1c[nH+]cn1C ZINC000632390601 372913825 /nfs/dbraw/zinc/91/38/25/372913825.db2.gz FROZQWSASYZCEB-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO O=C(Cc1ccco1)NCC[NH+]1CCOCC1 ZINC000074696795 182049743 /nfs/dbraw/zinc/04/97/43/182049743.db2.gz NZSWWWOGYIEHIQ-UHFFFAOYSA-N 1 2 238.287 0.271 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CC1 ZINC000360470886 182071731 /nfs/dbraw/zinc/07/17/31/182071731.db2.gz XTVDVQQHXUAMEM-NXEZZACHSA-N 1 2 205.261 0.798 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CCCOC2 ZINC000336448729 182071845 /nfs/dbraw/zinc/07/18/45/182071845.db2.gz XRHHABNSRBEVFV-UHFFFAOYSA-N 1 2 235.287 0.522 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)C1(C)CC1 ZINC000632757812 373127858 /nfs/dbraw/zinc/12/78/58/373127858.db2.gz UCNHGZBWOPQYPS-UHFFFAOYSA-N 1 2 229.305 0.724 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCOCC1 ZINC000330218842 182085462 /nfs/dbraw/zinc/08/54/62/182085462.db2.gz JRUVNMLYRVTDNE-VIFPVBQESA-N 1 2 236.271 0.964 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cc(F)c[nH]1 ZINC000334616508 182085859 /nfs/dbraw/zinc/08/58/59/182085859.db2.gz QFZULNFNVVMZNS-UHFFFAOYSA-N 1 2 221.191 0.929 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(F)F ZINC000633060557 373274809 /nfs/dbraw/zinc/27/48/09/373274809.db2.gz VGCYUASWCBEIMZ-UHFFFAOYSA-N 1 2 218.207 0.816 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000245382334 373265262 /nfs/dbraw/zinc/26/52/62/373265262.db2.gz IOZZCYHLUCKTDZ-UWVGGRQHSA-N 1 2 241.335 0.241 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000245382334 373265268 /nfs/dbraw/zinc/26/52/68/373265268.db2.gz IOZZCYHLUCKTDZ-UWVGGRQHSA-N 1 2 241.335 0.241 20 0 BCADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000273795778 182097783 /nfs/dbraw/zinc/09/77/83/182097783.db2.gz WBHYDCHEIJVJTQ-SNVBAGLBSA-N 1 2 249.318 0.446 20 0 BCADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000273795778 182097786 /nfs/dbraw/zinc/09/77/86/182097786.db2.gz WBHYDCHEIJVJTQ-SNVBAGLBSA-N 1 2 249.318 0.446 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000121508619 182098823 /nfs/dbraw/zinc/09/88/23/182098823.db2.gz UOSHIALECRHDNP-LLVKDONJSA-N 1 2 234.303 0.653 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000121508619 182098824 /nfs/dbraw/zinc/09/88/24/182098824.db2.gz UOSHIALECRHDNP-LLVKDONJSA-N 1 2 234.303 0.653 20 0 BCADLO C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CC2)[C@H]1C ZINC000633207181 373346024 /nfs/dbraw/zinc/34/60/24/373346024.db2.gz GKZRCCIJCNKUCG-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO O=C(CC1CSC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304196 373461958 /nfs/dbraw/zinc/46/19/58/373461958.db2.gz DCHMPMPGGMZQSX-VIFPVBQESA-N 1 2 237.328 0.677 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC1 ZINC000334270316 182131361 /nfs/dbraw/zinc/13/13/61/182131361.db2.gz FLRRTJXMBCYMPT-UHFFFAOYSA-N 1 2 239.319 0.267 20 0 BCADLO CC(C)(NC(=O)CCCCO)c1[nH]cc[nH+]1 ZINC000633323850 373478165 /nfs/dbraw/zinc/47/81/65/373478165.db2.gz UBSCYOVKGNLEGK-UHFFFAOYSA-N 1 2 225.292 0.924 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)F ZINC000633370832 373501978 /nfs/dbraw/zinc/50/19/78/373501978.db2.gz LEZMOEVEUUQJQY-VIFPVBQESA-N 1 2 247.314 0.364 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)F ZINC000633370832 373501983 /nfs/dbraw/zinc/50/19/83/373501983.db2.gz LEZMOEVEUUQJQY-VIFPVBQESA-N 1 2 247.314 0.364 20 0 BCADLO CO[C@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633352113 373489503 /nfs/dbraw/zinc/48/95/03/373489503.db2.gz NIFIQOPTPQKUPM-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2CCC(=O)N2)cc(C)[nH+]1 ZINC000633455094 373560266 /nfs/dbraw/zinc/56/02/66/373560266.db2.gz RHEUJTOSJQFRMQ-NSHDSACASA-N 1 2 247.298 0.593 20 0 BCADLO C[C@@H](NC(=O)c1ncccc1N)c1[nH+]ccn1C ZINC000633648283 373657487 /nfs/dbraw/zinc/65/74/87/373657487.db2.gz CTVDYIFGPINXCL-MRVPVSSYSA-N 1 2 245.286 0.888 20 0 BCADLO O=C(NCC1C[NH2+]C1)c1cc(F)c(O)c(F)c1 ZINC000335454115 182149153 /nfs/dbraw/zinc/14/91/53/182149153.db2.gz AWKYBDORIHLYQG-UHFFFAOYSA-N 1 2 242.225 0.620 20 0 BCADLO Cc1nocc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633602986 373619615 /nfs/dbraw/zinc/61/96/15/373619615.db2.gz RSYPLGBWOCVBRD-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO Cc1nocc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633602986 373619622 /nfs/dbraw/zinc/61/96/22/373619622.db2.gz RSYPLGBWOCVBRD-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO O=C(NCCCCF)NCCn1cc[nH+]c1 ZINC000359433255 182162556 /nfs/dbraw/zinc/16/25/56/182162556.db2.gz XQVXMDXWVRSFRG-UHFFFAOYSA-N 1 2 228.271 0.932 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356196561 182179328 /nfs/dbraw/zinc/17/93/28/182179328.db2.gz BXTYKBIFDCPYNX-IJLUTSLNSA-N 1 2 249.314 0.814 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cc1c[nH+]cn1C ZINC000633830700 373783973 /nfs/dbraw/zinc/78/39/73/373783973.db2.gz OVBWBJWUAYQQFH-SNVBAGLBSA-N 1 2 239.319 0.630 20 0 BCADLO C[C@H]1C[N@H+](CCSc2nnnn2C)CCO1 ZINC000188209666 205825405 /nfs/dbraw/zinc/82/54/05/205825405.db2.gz IDRGHHVHLDHJJI-QMMMGPOBSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2nnnn2C)CCO1 ZINC000188209666 205825410 /nfs/dbraw/zinc/82/54/10/205825410.db2.gz IDRGHHVHLDHJJI-QMMMGPOBSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)O1 ZINC000634024612 373909321 /nfs/dbraw/zinc/90/93/21/373909321.db2.gz UPLINHXEOHLWPM-UTLUCORTSA-N 1 2 223.276 0.565 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H](O)C1 ZINC000193208046 182214678 /nfs/dbraw/zinc/21/46/78/182214678.db2.gz YNYICPGZINKDCR-JTQLQIEISA-N 1 2 238.291 0.049 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCCOC1 ZINC000171589846 182214951 /nfs/dbraw/zinc/21/49/51/182214951.db2.gz UNQWGFJVSZXWFF-JTQLQIEISA-N 1 2 238.291 0.361 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000299231868 182214993 /nfs/dbraw/zinc/21/49/93/182214993.db2.gz DWMAGHFTIMJSOG-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO C[C@H](CC(=O)NC1(C)COC1)n1cc[nH+]c1 ZINC000634192565 374011918 /nfs/dbraw/zinc/01/19/18/374011918.db2.gz LEBWBBHOQGDYPR-SECBINFHSA-N 1 2 223.276 0.739 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C(F)(F)F ZINC000082277844 182215714 /nfs/dbraw/zinc/21/57/14/182215714.db2.gz ZTUHMMJYVKNVSN-UHFFFAOYSA-N 1 2 207.155 0.562 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C[C@@H]1C1CC1 ZINC000634171976 373982491 /nfs/dbraw/zinc/98/24/91/373982491.db2.gz FLLOUFHHQCOVHB-VXGBXAGGSA-N 1 2 249.314 0.334 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000128721650 182212191 /nfs/dbraw/zinc/21/21/91/182212191.db2.gz MBUCKOUVXNIUCR-VIFPVBQESA-N 1 2 223.276 0.495 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ncccc1O ZINC000042542862 182216208 /nfs/dbraw/zinc/21/62/08/182216208.db2.gz RNAIRKZQWUFENL-UHFFFAOYSA-N 1 2 232.243 0.414 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1C(F)F ZINC000337743645 182217542 /nfs/dbraw/zinc/21/75/42/182217542.db2.gz FEOFNGFCGROKLZ-SFYZADRCSA-N 1 2 229.230 0.901 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)NC1COC1 ZINC000634253781 374054244 /nfs/dbraw/zinc/05/42/44/374054244.db2.gz HPMHCDXSOINJQZ-UHFFFAOYSA-N 1 2 245.282 0.860 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)c1ccc2[nH+]ccn2c1 ZINC000337678039 182219774 /nfs/dbraw/zinc/21/97/74/182219774.db2.gz YSJUTZZWNFSPFV-LLVKDONJSA-N 1 2 245.282 0.835 20 0 BCADLO FC(F)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173944708 374118566 /nfs/dbraw/zinc/11/85/66/374118566.db2.gz PIRJWCCKSCINSU-VIFPVBQESA-N 1 2 220.263 0.658 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000634412883 374242062 /nfs/dbraw/zinc/24/20/62/374242062.db2.gz XKDBIWCGRLQCKG-VWYCJHECSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000634413538 374244209 /nfs/dbraw/zinc/24/42/09/374244209.db2.gz OIPRDNDBMQFKIH-DCAQKATOSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C(F)F ZINC000338175428 182274435 /nfs/dbraw/zinc/27/44/35/182274435.db2.gz FDOGWOOIWDFDRA-NTSWFWBYSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2cccnc12 ZINC000359111269 182269648 /nfs/dbraw/zinc/26/96/48/182269648.db2.gz AWPOBWMNWRJVFR-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2cccnc12 ZINC000359111269 182269651 /nfs/dbraw/zinc/26/96/51/182269651.db2.gz AWPOBWMNWRJVFR-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NN1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000172263784 182278368 /nfs/dbraw/zinc/27/83/68/182278368.db2.gz YQQRWZSVDSNNKJ-UHFFFAOYSA-N 1 2 246.270 0.311 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H]1F ZINC000424635328 206044938 /nfs/dbraw/zinc/04/49/38/206044938.db2.gz BTQLRATUOMMOBU-PWSUYJOCSA-N 1 2 244.310 0.525 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cnsn1 ZINC000378198856 182313184 /nfs/dbraw/zinc/31/31/84/182313184.db2.gz GECIUMPTRHLGPE-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cnsn1 ZINC000378198856 182313186 /nfs/dbraw/zinc/31/31/86/182313186.db2.gz GECIUMPTRHLGPE-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)OC ZINC000451590398 206108803 /nfs/dbraw/zinc/10/88/03/206108803.db2.gz LBZXZJGHAPDTSA-ZJUUUORDSA-N 1 2 243.303 0.871 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000457379636 206120472 /nfs/dbraw/zinc/12/04/72/206120472.db2.gz UDZJGHUQYMKSKR-AXFHLTTASA-N 1 2 236.315 0.376 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000459426013 206126109 /nfs/dbraw/zinc/12/61/09/206126109.db2.gz LZDHRHSASOTIDE-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000459426013 206126115 /nfs/dbraw/zinc/12/61/15/206126115.db2.gz LZDHRHSASOTIDE-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000194763719 206110162 /nfs/dbraw/zinc/11/01/62/206110162.db2.gz ZCTZQIOLBHPNLJ-ZJUUUORDSA-N 1 2 215.293 0.690 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccn[nH]1 ZINC000330265334 182342045 /nfs/dbraw/zinc/34/20/45/182342045.db2.gz ZCOLVEWLCVXCEX-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000363037464 182343168 /nfs/dbraw/zinc/34/31/68/182343168.db2.gz GACAYENLJZONFU-QMMMGPOBSA-N 1 2 205.261 0.793 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000363037464 182343171 /nfs/dbraw/zinc/34/31/71/182343171.db2.gz GACAYENLJZONFU-QMMMGPOBSA-N 1 2 205.261 0.793 20 0 BCADLO O=C(Nc1ccc(F)cc1F)[C@@H]1COCC[NH2+]1 ZINC000088357753 182356441 /nfs/dbraw/zinc/35/64/41/182356441.db2.gz GAUCJPBRRNVKOO-JTQLQIEISA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1ccc(F)nc1)[C@@H]1CSC[NH2+]1 ZINC000152639438 182359546 /nfs/dbraw/zinc/35/95/46/182359546.db2.gz BIXSOHCMVXVWII-ZETCQYMHSA-N 1 2 227.264 0.822 20 0 BCADLO O=C(Nc1ccccc1F)[C@@H]1COCC[NH2+]1 ZINC000083872070 182379094 /nfs/dbraw/zinc/37/90/94/182379094.db2.gz ZBYBDYFAEQFMIN-JTQLQIEISA-N 1 2 224.235 0.753 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC(CO)C1 ZINC000353681621 182385142 /nfs/dbraw/zinc/38/51/42/182385142.db2.gz WTEHJEXBEYTIJW-UHFFFAOYSA-N 1 2 246.270 0.790 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1CSC[NH2+]1 ZINC000019430857 182386219 /nfs/dbraw/zinc/38/62/19/182386219.db2.gz ILQMIRBCPCKQDZ-QMMMGPOBSA-N 1 2 209.274 0.683 20 0 BCADLO CCCCOC(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264927848 168882948 /nfs/dbraw/zinc/88/29/48/168882948.db2.gz MPCSVILSKOYXMR-UHFFFAOYSA-N 1 2 239.275 0.791 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000371445640 170219005 /nfs/dbraw/zinc/21/90/05/170219005.db2.gz OQNHDCAUUPTKRU-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)C[N@H+]1CCCN(C(=O)CC)CC1 ZINC000371445640 170219008 /nfs/dbraw/zinc/21/90/08/170219008.db2.gz OQNHDCAUUPTKRU-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000044564214 170219332 /nfs/dbraw/zinc/21/93/32/170219332.db2.gz UJWFDAYVPBDDJL-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000308189110 170227213 /nfs/dbraw/zinc/22/72/13/170227213.db2.gz MHFHYJXFCKAHFU-SFYZADRCSA-N 1 2 203.307 0.891 20 0 BCADLO O=C(c1cncs1)N1CCn2c[nH+]cc2C1 ZINC000331831973 182702843 /nfs/dbraw/zinc/70/28/43/182702843.db2.gz KJZQAVQXKDJMON-UHFFFAOYSA-N 1 2 234.284 0.996 20 0 BCADLO O=c1nc(C[N@@H+]2CCC=C(c3ccco3)C2)[nH][nH]1 ZINC000285332715 183009386 /nfs/dbraw/zinc/00/93/86/183009386.db2.gz OBBRKKHHCYQAAN-UHFFFAOYSA-N 1 2 246.270 0.980 20 0 BCADLO O=c1nc(C[N@H+]2CCC=C(c3ccco3)C2)[nH][nH]1 ZINC000285332715 183009388 /nfs/dbraw/zinc/00/93/88/183009388.db2.gz OBBRKKHHCYQAAN-UHFFFAOYSA-N 1 2 246.270 0.980 20 0 BCADLO O=c1nc(C[N@@H+]2CCc3cc(F)ccc3C2)[nH][nH]1 ZINC000271621285 183010886 /nfs/dbraw/zinc/01/08/86/183010886.db2.gz FCHIDIIYVOMRHP-UHFFFAOYSA-N 1 2 248.261 0.795 20 0 BCADLO O=c1nc(C[N@H+]2CCc3cc(F)ccc3C2)[nH][nH]1 ZINC000271621285 183010888 /nfs/dbraw/zinc/01/08/88/183010888.db2.gz FCHIDIIYVOMRHP-UHFFFAOYSA-N 1 2 248.261 0.795 20 0 BCADLO OC1(C[NH+]2CC(O)(C(F)F)C2)CCC1 ZINC000335282695 183017127 /nfs/dbraw/zinc/01/71/27/183017127.db2.gz QZHOAVNXSZQLNU-UHFFFAOYSA-N 1 2 207.220 0.213 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329890361 183024476 /nfs/dbraw/zinc/02/44/76/183024476.db2.gz GDLRKCYZCSGOFX-CMPLNLGQSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329890361 183024477 /nfs/dbraw/zinc/02/44/77/183024477.db2.gz GDLRKCYZCSGOFX-CMPLNLGQSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1CC[N@H+](Cc2cnc3cnccn23)CCN1 ZINC000329205405 183025613 /nfs/dbraw/zinc/02/56/13/183025613.db2.gz XUSOZPATQTUYRS-UHFFFAOYSA-N 1 2 245.286 0.892 20 0 BCADLO O=C1CC[N@@H+](Cc2cnc3cnccn23)CCN1 ZINC000329205405 183025616 /nfs/dbraw/zinc/02/56/16/183025616.db2.gz XUSOZPATQTUYRS-UHFFFAOYSA-N 1 2 245.286 0.892 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000328676210 183025814 /nfs/dbraw/zinc/02/58/14/183025814.db2.gz RMTKYLQFGNADSE-VIFPVBQESA-N 1 2 206.249 0.497 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCc2n[nH]cc2C1 ZINC000328676210 183025816 /nfs/dbraw/zinc/02/58/16/183025816.db2.gz RMTKYLQFGNADSE-VIFPVBQESA-N 1 2 206.249 0.497 20 0 BCADLO OCC1CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000084988458 183041590 /nfs/dbraw/zinc/04/15/90/183041590.db2.gz FFFCZURKVOTRBJ-UHFFFAOYSA-N 1 2 203.245 0.991 20 0 BCADLO OCC(CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612512 183033252 /nfs/dbraw/zinc/03/32/52/183033252.db2.gz ARFOWCGUCSGMBZ-UHFFFAOYSA-N 1 2 236.193 0.866 20 0 BCADLO OCC(F)(F)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000290900168 183033365 /nfs/dbraw/zinc/03/33/65/183033365.db2.gz NWOATNXOBOWJTO-UHFFFAOYSA-N 1 2 242.229 0.675 20 0 BCADLO OCC(CO)Nc1ccc2ccccc2[nH+]1 ZINC000083694865 183033972 /nfs/dbraw/zinc/03/39/72/183033972.db2.gz VGTMOKMGNMVKCZ-UHFFFAOYSA-N 1 2 218.256 1.000 20 0 BCADLO OCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589313 183049171 /nfs/dbraw/zinc/04/91/71/183049171.db2.gz CXWGVWZXBLOIKQ-MRVPVSSYSA-N 1 2 209.236 0.461 20 0 BCADLO OCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589313 183049174 /nfs/dbraw/zinc/04/91/74/183049174.db2.gz CXWGVWZXBLOIKQ-MRVPVSSYSA-N 1 2 209.236 0.461 20 0 BCADLO OCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126701722 183074798 /nfs/dbraw/zinc/07/47/98/183074798.db2.gz MZCWVDPMRUEGRH-LBPRGKRZSA-N 1 2 223.272 0.758 20 0 BCADLO OCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126701722 183074802 /nfs/dbraw/zinc/07/48/02/183074802.db2.gz MZCWVDPMRUEGRH-LBPRGKRZSA-N 1 2 223.272 0.758 20 0 BCADLO OCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000336681131 183079755 /nfs/dbraw/zinc/07/97/55/183079755.db2.gz ONOBFVVRJZTWOY-SNVBAGLBSA-N 1 2 218.260 0.476 20 0 BCADLO OCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270284361 183080377 /nfs/dbraw/zinc/08/03/77/183080377.db2.gz KGRCXGUWMVXHPQ-UHFFFAOYSA-N 1 2 208.265 0.703 20 0 BCADLO OCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270284361 183080379 /nfs/dbraw/zinc/08/03/79/183080379.db2.gz KGRCXGUWMVXHPQ-UHFFFAOYSA-N 1 2 208.265 0.703 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000331148857 183086112 /nfs/dbraw/zinc/08/61/12/183086112.db2.gz HNQKUDJVIHJSSO-LLVKDONJSA-N 1 2 237.303 0.450 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000331148857 183086114 /nfs/dbraw/zinc/08/61/14/183086114.db2.gz HNQKUDJVIHJSSO-LLVKDONJSA-N 1 2 237.303 0.450 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000172298650 183086351 /nfs/dbraw/zinc/08/63/51/183086351.db2.gz INMUPYNSIMDKCU-SNVBAGLBSA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000172298650 183086354 /nfs/dbraw/zinc/08/63/54/183086354.db2.gz INMUPYNSIMDKCU-SNVBAGLBSA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000172298647 183087289 /nfs/dbraw/zinc/08/72/89/183087289.db2.gz INMUPYNSIMDKCU-JTQLQIEISA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000172298647 183087292 /nfs/dbraw/zinc/08/72/92/183087292.db2.gz INMUPYNSIMDKCU-JTQLQIEISA-N 1 2 225.292 0.383 20 0 BCADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)C1CCOCC1 ZINC000309603070 183108686 /nfs/dbraw/zinc/10/86/86/183108686.db2.gz XDNJKHQTVHTEQH-LLVKDONJSA-N 1 2 225.292 0.287 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000338628456 183133432 /nfs/dbraw/zinc/13/34/32/183133432.db2.gz ZWUAJEFDFMJVSH-MRVPVSSYSA-N 1 2 245.216 0.972 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000338628456 183133433 /nfs/dbraw/zinc/13/34/33/183133433.db2.gz ZWUAJEFDFMJVSH-MRVPVSSYSA-N 1 2 245.216 0.972 20 0 BCADLO OC[C@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000133474046 183144407 /nfs/dbraw/zinc/14/44/07/183144407.db2.gz XOYFPPIAKVKGAE-SECBINFHSA-N 1 2 238.291 0.064 20 0 BCADLO OC[C@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000133474046 183144409 /nfs/dbraw/zinc/14/44/09/183144409.db2.gz XOYFPPIAKVKGAE-SECBINFHSA-N 1 2 238.291 0.064 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CCO1 ZINC000284343901 183126014 /nfs/dbraw/zinc/12/60/14/183126014.db2.gz YBHBMQDFTASDHO-JTQLQIEISA-N 1 2 248.286 0.151 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CCO1 ZINC000284343901 183126016 /nfs/dbraw/zinc/12/60/16/183126016.db2.gz YBHBMQDFTASDHO-JTQLQIEISA-N 1 2 248.286 0.151 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000086841565 183127441 /nfs/dbraw/zinc/12/74/41/183127441.db2.gz FYEBYOZIBCIHCQ-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000086841565 183127443 /nfs/dbraw/zinc/12/74/43/183127443.db2.gz FYEBYOZIBCIHCQ-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000274128172 183129033 /nfs/dbraw/zinc/12/90/33/183129033.db2.gz DMTCZCZZPQIPKR-ZFEAGHOGSA-N 1 2 226.103 0.733 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000274128172 183129035 /nfs/dbraw/zinc/12/90/35/183129035.db2.gz DMTCZCZZPQIPKR-ZFEAGHOGSA-N 1 2 226.103 0.733 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364035419 183130059 /nfs/dbraw/zinc/13/00/59/183130059.db2.gz PONJXKMSXMHXDC-QWRGUYRKSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)cn1 ZINC000364035419 183130061 /nfs/dbraw/zinc/13/00/61/183130061.db2.gz PONJXKMSXMHXDC-QWRGUYRKSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000360491153 183130077 /nfs/dbraw/zinc/13/00/77/183130077.db2.gz MOHLUMDOTBOUKH-VHSXEESVSA-N 1 2 238.287 0.480 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C2CC2)o1 ZINC000360491153 183130080 /nfs/dbraw/zinc/13/00/80/183130080.db2.gz MOHLUMDOTBOUKH-VHSXEESVSA-N 1 2 238.287 0.480 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000367452395 183130650 /nfs/dbraw/zinc/13/06/50/183130650.db2.gz UKORXDNWUPOMFA-RITPCOANSA-N 1 2 233.268 0.148 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000367452395 183130652 /nfs/dbraw/zinc/13/06/52/183130652.db2.gz UKORXDNWUPOMFA-RITPCOANSA-N 1 2 233.268 0.148 20 0 BCADLO OC[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000088094113 183155189 /nfs/dbraw/zinc/15/51/89/183155189.db2.gz OTRRPXDSWCCJSA-SECBINFHSA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000088094113 183155192 /nfs/dbraw/zinc/15/51/92/183155192.db2.gz OTRRPXDSWCCJSA-SECBINFHSA-N 1 2 213.302 0.941 20 0 BCADLO CCCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357525699 169052346 /nfs/dbraw/zinc/05/23/46/169052346.db2.gz BUMJDXTWYFYDGL-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357525699 169052351 /nfs/dbraw/zinc/05/23/51/169052351.db2.gz BUMJDXTWYFYDGL-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO OCc1cn(CCCNc2cccc[nH+]2)nn1 ZINC000291164221 183169663 /nfs/dbraw/zinc/16/96/63/183169663.db2.gz QFZBJBXUZKRWLM-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO O[C@@H](CC[NH2+]Cc1ccn[nH]1)C(F)(F)F ZINC000308923945 183174170 /nfs/dbraw/zinc/17/41/70/183174170.db2.gz JWZNJTWTRHXOPL-ZETCQYMHSA-N 1 2 223.198 0.813 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccc(Cl)nc2)C[C@H]1O ZINC000236529823 183206056 /nfs/dbraw/zinc/20/60/56/183206056.db2.gz KIBNQWGNSYQENS-RKDXNWHRSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCn2cnnc2C1 ZINC000227125111 183189283 /nfs/dbraw/zinc/18/92/83/183189283.db2.gz YAKJUCZSQFUBGW-VHSXEESVSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCCC[C@@H]1[N@H+]1CCn2cnnc2C1 ZINC000227125111 183189284 /nfs/dbraw/zinc/18/92/84/183189284.db2.gz YAKJUCZSQFUBGW-VHSXEESVSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2ncnn2CCF)CC1 ZINC000331674442 183194637 /nfs/dbraw/zinc/19/46/37/183194637.db2.gz SJJPTCZZSIQXNN-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)CC1 ZINC000331674442 183194638 /nfs/dbraw/zinc/19/46/38/183194638.db2.gz SJJPTCZZSIQXNN-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO O[C@H](CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000308905485 183226411 /nfs/dbraw/zinc/22/64/11/183226411.db2.gz DHPUZTGUIDVGBR-VHSXEESVSA-N 1 2 208.261 0.891 20 0 BCADLO O[C@@H]1COC[C@H]1[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000361322852 183211157 /nfs/dbraw/zinc/21/11/57/183211157.db2.gz APQZOSLCLXDDNU-CKYFFXLPSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@H]1[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000361322852 183211158 /nfs/dbraw/zinc/21/11/58/183211158.db2.gz APQZOSLCLXDDNU-CKYFFXLPSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000295977427 183211557 /nfs/dbraw/zinc/21/15/57/183211557.db2.gz KWGOGASIDZPBQF-VXGBXAGGSA-N 1 2 231.255 0.801 20 0 BCADLO O[C@@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000296116038 183211701 /nfs/dbraw/zinc/21/17/01/183211701.db2.gz VPBHFYFHJXLNGC-RKDXNWHRSA-N 1 2 221.260 0.526 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1conc1C ZINC000295346410 169094022 /nfs/dbraw/zinc/09/40/22/169094022.db2.gz MZETVRQWFOPIBW-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1conc1C ZINC000295346410 169094023 /nfs/dbraw/zinc/09/40/23/169094023.db2.gz MZETVRQWFOPIBW-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCCC1 ZINC000056508752 169094548 /nfs/dbraw/zinc/09/45/48/169094548.db2.gz VWKKJXFXTFJLLA-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCCC1 ZINC000056508752 169094550 /nfs/dbraw/zinc/09/45/50/169094550.db2.gz VWKKJXFXTFJLLA-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000096585139 183240237 /nfs/dbraw/zinc/24/02/37/183240237.db2.gz NPUITPOOJRQNEZ-VIFPVBQESA-N 1 2 223.301 0.962 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000096585139 183240238 /nfs/dbraw/zinc/24/02/38/183240238.db2.gz NPUITPOOJRQNEZ-VIFPVBQESA-N 1 2 223.301 0.962 20 0 BCADLO O[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270313289 183240618 /nfs/dbraw/zinc/24/06/18/183240618.db2.gz UEFKKLYIFKQVAR-JTQLQIEISA-N 1 2 234.303 0.870 20 0 BCADLO O[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270313289 183240619 /nfs/dbraw/zinc/24/06/19/183240619.db2.gz UEFKKLYIFKQVAR-JTQLQIEISA-N 1 2 234.303 0.870 20 0 BCADLO CCCN(CC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339677273 169114406 /nfs/dbraw/zinc/11/44/06/169114406.db2.gz GSXOLVSZBQDUNL-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO O[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC12CC2 ZINC000368797054 183244106 /nfs/dbraw/zinc/24/41/06/183244106.db2.gz ASSVMKAXUDJPCM-VIFPVBQESA-N 1 2 235.287 0.904 20 0 BCADLO O[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC12CC2 ZINC000368797054 183244107 /nfs/dbraw/zinc/24/41/07/183244107.db2.gz ASSVMKAXUDJPCM-VIFPVBQESA-N 1 2 235.287 0.904 20 0 BCADLO O[C@H]1COC[C@@H]1[N@@H+]1CCc2ncsc2C1 ZINC000361388195 183246723 /nfs/dbraw/zinc/24/67/23/183246723.db2.gz CZLRSVFBLSZIGV-IUCAKERBSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@H]1COC[C@@H]1[N@H+]1CCc2ncsc2C1 ZINC000361388195 183246724 /nfs/dbraw/zinc/24/67/24/183246724.db2.gz CZLRSVFBLSZIGV-IUCAKERBSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@H]1COC[C@H]1[N@@H+]1CCc2ncsc2C1 ZINC000361388193 183246744 /nfs/dbraw/zinc/24/67/44/183246744.db2.gz CZLRSVFBLSZIGV-BDAKNGLRSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@H]1COC[C@H]1[N@H+]1CCc2ncsc2C1 ZINC000361388193 183246746 /nfs/dbraw/zinc/24/67/46/183246746.db2.gz CZLRSVFBLSZIGV-BDAKNGLRSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000328820595 183235280 /nfs/dbraw/zinc/23/52/80/183235280.db2.gz QBAIPZRURXVTTQ-JTQLQIEISA-N 1 2 237.307 0.355 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000328820595 183235281 /nfs/dbraw/zinc/23/52/81/183235281.db2.gz QBAIPZRURXVTTQ-JTQLQIEISA-N 1 2 237.307 0.355 20 0 BCADLO Oc1cc(F)cc(C[NH2+]CCc2nc[nH]n2)c1 ZINC000223132490 183259885 /nfs/dbraw/zinc/25/98/85/183259885.db2.gz SZNWRLGBYYSGKD-UHFFFAOYSA-N 1 2 236.250 0.982 20 0 BCADLO CCC[N@H+](CCn1cncn1)CC(=O)OC ZINC000265935755 169171721 /nfs/dbraw/zinc/17/17/21/169171721.db2.gz PSKZKCIMOZYOIP-UHFFFAOYSA-N 1 2 226.280 0.163 20 0 BCADLO CCC[N@@H+](CCn1cncn1)CC(=O)OC ZINC000265935755 169171722 /nfs/dbraw/zinc/17/17/22/169171722.db2.gz PSKZKCIMOZYOIP-UHFFFAOYSA-N 1 2 226.280 0.163 20 0 BCADLO Oc1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1Cl ZINC000294650354 183288905 /nfs/dbraw/zinc/28/89/05/183288905.db2.gz KTBKZYHMVQONRS-UWVGGRQHSA-N 1 2 243.690 0.583 20 0 BCADLO CCCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283571441 169158925 /nfs/dbraw/zinc/15/89/25/169158925.db2.gz VRMOGEPVPSRQTA-ONEGZZNKSA-N 1 2 223.276 0.654 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)[nH]1 ZINC000331403929 183306560 /nfs/dbraw/zinc/30/65/60/183306560.db2.gz BFHOPARPCKEUNB-CIUDSAMLSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)[nH]1 ZINC000331403929 183306561 /nfs/dbraw/zinc/30/65/61/183306561.db2.gz BFHOPARPCKEUNB-CIUDSAMLSA-N 1 2 238.291 0.103 20 0 BCADLO CCC[N@H+](CCO)Cc1csnn1 ZINC000128038377 169167999 /nfs/dbraw/zinc/16/79/99/169167999.db2.gz ILENLKMRZSVTNS-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO CCC[N@@H+](CCO)Cc1csnn1 ZINC000128038377 169168002 /nfs/dbraw/zinc/16/80/02/169168002.db2.gz ILENLKMRZSVTNS-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO c1[nH]c2nccnc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366558240 183329312 /nfs/dbraw/zinc/32/93/12/183329312.db2.gz KFSYEMGATFUTST-ZJUUUORDSA-N 1 2 230.271 0.883 20 0 BCADLO c1[nH]c2nccnc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366558240 183329313 /nfs/dbraw/zinc/32/93/13/183329313.db2.gz KFSYEMGATFUTST-ZJUUUORDSA-N 1 2 230.271 0.883 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516985 169223943 /nfs/dbraw/zinc/22/39/43/169223943.db2.gz GFNBUHXNYYHVHU-IUCAKERBSA-N 1 2 243.307 0.137 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516985 169223944 /nfs/dbraw/zinc/22/39/44/169223944.db2.gz GFNBUHXNYYHVHU-IUCAKERBSA-N 1 2 243.307 0.137 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784551 169224006 /nfs/dbraw/zinc/22/40/06/169224006.db2.gz YFLHYLDMIFIHOQ-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784551 169224008 /nfs/dbraw/zinc/22/40/08/169224008.db2.gz YFLHYLDMIFIHOQ-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO c1cn(C2C[NH+](Cc3ccncc3)C2)nn1 ZINC000359993289 183340236 /nfs/dbraw/zinc/34/02/36/183340236.db2.gz KEFQXLJGPSZPDH-UHFFFAOYSA-N 1 2 215.260 0.730 20 0 BCADLO CCCNC(=O)C[N@H+](C)CC(=O)N(CC)CC ZINC000042366567 169218183 /nfs/dbraw/zinc/21/81/83/169218183.db2.gz YJOXTQXVAVRWPK-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CC(=O)N(CC)CC ZINC000042366567 169218184 /nfs/dbraw/zinc/21/81/84/169218184.db2.gz YJOXTQXVAVRWPK-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCNC(=O)C[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000337252252 169219244 /nfs/dbraw/zinc/21/92/44/169219244.db2.gz RKTBFBPPMOZNFY-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)C[N@@H+](CC(=O)OC)[C@@H](C)CC ZINC000337252252 169219246 /nfs/dbraw/zinc/21/92/46/169219246.db2.gz RKTBFBPPMOZNFY-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357304174 169221967 /nfs/dbraw/zinc/22/19/67/169221967.db2.gz LGPUESQPRWUUNA-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357304174 169221969 /nfs/dbraw/zinc/22/19/69/169221969.db2.gz LGPUESQPRWUUNA-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000368321239 169222148 /nfs/dbraw/zinc/22/21/48/169222148.db2.gz JMJBSHZICFIVMR-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO CCCNC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000368321239 169222149 /nfs/dbraw/zinc/22/21/49/169222149.db2.gz JMJBSHZICFIVMR-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO c1cc2[nH+]ccc(NC[C@@H]3COCCO3)c2cn1 ZINC000333350058 183364284 /nfs/dbraw/zinc/36/42/84/183364284.db2.gz RKZHYSPWWRGWCX-SNVBAGLBSA-N 1 2 245.282 0.879 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668907 169244915 /nfs/dbraw/zinc/24/49/15/169244915.db2.gz VUIKYRVLGWADMK-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668907 169244918 /nfs/dbraw/zinc/24/49/18/169244918.db2.gz VUIKYRVLGWADMK-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853034 169246913 /nfs/dbraw/zinc/24/69/13/169246913.db2.gz GYXRFQPJDCNWNN-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000118853034 169246914 /nfs/dbraw/zinc/24/69/14/169246914.db2.gz GYXRFQPJDCNWNN-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO c1cc([C@@H]2CCC[N@H+]2CC2OCCO2)n[nH]1 ZINC000286303551 183361050 /nfs/dbraw/zinc/36/10/50/183361050.db2.gz VTLKOOOQVLMBRC-JTQLQIEISA-N 1 2 223.276 0.920 20 0 BCADLO c1cc([C@@H]2CCC[N@@H+]2CC2OCCO2)n[nH]1 ZINC000286303551 183361052 /nfs/dbraw/zinc/36/10/52/183361052.db2.gz VTLKOOOQVLMBRC-JTQLQIEISA-N 1 2 223.276 0.920 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435238 169298565 /nfs/dbraw/zinc/29/85/65/169298565.db2.gz RBHWFBIKZHRHOA-ZJUUUORDSA-N 1 2 227.304 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435238 169298567 /nfs/dbraw/zinc/29/85/67/169298567.db2.gz RBHWFBIKZHRHOA-ZJUUUORDSA-N 1 2 227.304 0.785 20 0 BCADLO CCC[C@@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336548131 169367337 /nfs/dbraw/zinc/36/73/37/169367337.db2.gz SSCXAEHXWZYDHJ-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336548131 169367338 /nfs/dbraw/zinc/36/73/38/169367338.db2.gz SSCXAEHXWZYDHJ-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336548131 169367339 /nfs/dbraw/zinc/36/73/39/169367339.db2.gz SSCXAEHXWZYDHJ-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336548131 169367340 /nfs/dbraw/zinc/36/73/40/169367340.db2.gz SSCXAEHXWZYDHJ-MRVPVSSYSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCNC(=O)CC1 ZINC000096593530 169347471 /nfs/dbraw/zinc/34/74/71/169347471.db2.gz WOUFSDKGNVOCPU-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCNC(=O)CC1 ZINC000096593530 169347472 /nfs/dbraw/zinc/34/74/72/169347472.db2.gz WOUFSDKGNVOCPU-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO C[C@@H](SCC(=O)N1CC[NH+](C)CC1)[C@H](C)O ZINC000221172102 134317170 /nfs/dbraw/zinc/31/71/70/134317170.db2.gz RIGPEEKMJPRJKL-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CCC[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284532075 169515340 /nfs/dbraw/zinc/51/53/40/169515340.db2.gz WTQDZZKLJCSGAZ-YEZKRMTDSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225426759 134353758 /nfs/dbraw/zinc/35/37/58/134353758.db2.gz NVMGJUTXHUUJRG-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225426759 134353759 /nfs/dbraw/zinc/35/37/59/134353759.db2.gz NVMGJUTXHUUJRG-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351809556 169603811 /nfs/dbraw/zinc/60/38/11/169603811.db2.gz LUTLMKWMEIIWQL-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351809556 169603813 /nfs/dbraw/zinc/60/38/13/169603813.db2.gz LUTLMKWMEIIWQL-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO Cc1cc(NC[C@H](O)C(F)F)nc[nH+]1 ZINC000226572523 134366517 /nfs/dbraw/zinc/36/65/17/134366517.db2.gz IZVQPAINXMEDMJ-LURJTMIESA-N 1 2 203.192 0.823 20 0 BCADLO CCC[C@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000292314336 383827391 /nfs/dbraw/zinc/82/73/91/383827391.db2.gz LYTHRYBMYJOQBA-JTQLQIEISA-N 1 2 240.307 0.380 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291069475 383824244 /nfs/dbraw/zinc/82/42/44/383824244.db2.gz QNKSFDITZMOQHD-IUCAKERBSA-N 1 2 240.307 0.236 20 0 BCADLO CC[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035201856 383840988 /nfs/dbraw/zinc/84/09/88/383840988.db2.gz UESUVYZKJSJZHJ-JTQLQIEISA-N 1 2 247.298 0.764 20 0 BCADLO Cc1nc(C[NH+]2CCC(CO)CC2)no1 ZINC000048335172 383846099 /nfs/dbraw/zinc/84/60/99/383846099.db2.gz HTWHALPUQBTJJY-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)o1 ZINC000048335525 383847943 /nfs/dbraw/zinc/84/79/43/383847943.db2.gz FGSAAEASGFPCSZ-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)o1 ZINC000048335525 383847955 /nfs/dbraw/zinc/84/79/55/383847955.db2.gz FGSAAEASGFPCSZ-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO CCCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000111289905 383852642 /nfs/dbraw/zinc/85/26/42/383852642.db2.gz KHVJMCYNOXEJRZ-UHFFFAOYSA-N 1 2 234.365 0.754 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000111356212 383859363 /nfs/dbraw/zinc/85/93/63/383859363.db2.gz DUKHTFRBCICONK-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000111356212 383859371 /nfs/dbraw/zinc/85/93/71/383859371.db2.gz DUKHTFRBCICONK-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)on1 ZINC000066499266 383866993 /nfs/dbraw/zinc/86/69/93/383866993.db2.gz ZNPPPELNNIYSFW-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)on1 ZINC000066499266 383866995 /nfs/dbraw/zinc/86/69/95/383866995.db2.gz ZNPPPELNNIYSFW-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO CCOCC[N@H+](C)[C@@H]1CON(CC)C1=O ZINC000643611164 383904987 /nfs/dbraw/zinc/90/49/87/383904987.db2.gz SVMUBNGQMRNQNJ-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO CCOCC[N@@H+](C)[C@@H]1CON(CC)C1=O ZINC000643611164 383904989 /nfs/dbraw/zinc/90/49/89/383904989.db2.gz SVMUBNGQMRNQNJ-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc[nH]c1 ZINC000068279997 383982659 /nfs/dbraw/zinc/98/26/59/383982659.db2.gz VBCCRHHPMXSJKT-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCOCC1 ZINC000068368851 383987032 /nfs/dbraw/zinc/98/70/32/383987032.db2.gz YOVVYISNKXZLRF-UHFFFAOYSA-N 1 2 231.255 0.807 20 0 BCADLO CCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC000558415735 383994096 /nfs/dbraw/zinc/99/40/96/383994096.db2.gz WECLCNABZUEULS-UHFFFAOYSA-N 1 2 225.292 0.194 20 0 BCADLO Cc1ccncc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000070959233 383971439 /nfs/dbraw/zinc/97/14/39/383971439.db2.gz VNZOQDQAPXVCPM-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CO ZINC000518562089 384017409 /nfs/dbraw/zinc/01/74/09/384017409.db2.gz YTXTYELRILRSBA-QMMMGPOBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CO ZINC000518562089 384017414 /nfs/dbraw/zinc/01/74/14/384017414.db2.gz YTXTYELRILRSBA-QMMMGPOBSA-N 1 2 225.292 0.475 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000068951205 384023951 /nfs/dbraw/zinc/02/39/51/384023951.db2.gz VWMUONNUGOQURI-JTQLQIEISA-N 1 2 227.308 0.249 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000068951205 384023957 /nfs/dbraw/zinc/02/39/57/384023957.db2.gz VWMUONNUGOQURI-JTQLQIEISA-N 1 2 227.308 0.249 20 0 BCADLO NC(=O)[C@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000255169079 384012635 /nfs/dbraw/zinc/01/26/35/384012635.db2.gz WQHGUCSHIWGFNX-LLPBQKLSSA-N 1 2 246.310 0.886 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000255169079 384012637 /nfs/dbraw/zinc/01/26/37/384012637.db2.gz WQHGUCSHIWGFNX-LLPBQKLSSA-N 1 2 246.310 0.886 20 0 BCADLO CCOCC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000035098302 384014046 /nfs/dbraw/zinc/01/40/46/384014046.db2.gz WBNYBIADWDAENI-SECBINFHSA-N 1 2 203.282 0.810 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cn1cc(C)cn1 ZINC000572615825 384047836 /nfs/dbraw/zinc/04/78/36/384047836.db2.gz HIHDDWMRTZNRFU-UHFFFAOYSA-N 1 2 247.302 0.724 20 0 BCADLO COC[C@H]([NH2+]Cc1cocn1)[C@H]1CCCO1 ZINC000278624047 384051118 /nfs/dbraw/zinc/05/11/18/384051118.db2.gz JYHMUYOGSADSLU-WDEREUQCSA-N 1 2 226.276 0.958 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)nc1 ZINC000447923450 384051222 /nfs/dbraw/zinc/05/12/22/384051222.db2.gz SJWBXGSKWDSBCP-QWRGUYRKSA-N 1 2 237.303 0.415 20 0 BCADLO CCN(CCO)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000037860782 384028850 /nfs/dbraw/zinc/02/88/50/384028850.db2.gz AWZMYOIDPYNQLV-UHFFFAOYSA-N 1 2 247.298 0.718 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCO1 ZINC000408078084 134388697 /nfs/dbraw/zinc/38/86/97/134388697.db2.gz AOKCTRYRIJXZGT-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCO1 ZINC000408078084 134388698 /nfs/dbraw/zinc/38/86/98/134388698.db2.gz AOKCTRYRIJXZGT-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H](O)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000114817898 384055474 /nfs/dbraw/zinc/05/54/74/384055474.db2.gz GCHQAFGDHUOGKY-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ncn(C)n1 ZINC000401813394 384056361 /nfs/dbraw/zinc/05/63/61/384056361.db2.gz GYAHSHRPQXHQMU-HLTSFMKQSA-N 1 2 210.281 0.643 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1C/C=C/Cl ZINC000114898142 384058652 /nfs/dbraw/zinc/05/86/52/384058652.db2.gz IWMQZVGICTXYOC-ONEGZZNKSA-N 1 2 202.685 0.949 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000114898142 384058657 /nfs/dbraw/zinc/05/86/57/384058657.db2.gz IWMQZVGICTXYOC-ONEGZZNKSA-N 1 2 202.685 0.949 20 0 BCADLO CC(C)OCC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069863679 384067522 /nfs/dbraw/zinc/06/75/22/384067522.db2.gz LZEWCPBRMAKYEC-JTQLQIEISA-N 1 2 237.365 0.776 20 0 BCADLO CC(C)OCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069863679 384067526 /nfs/dbraw/zinc/06/75/26/384067526.db2.gz LZEWCPBRMAKYEC-JTQLQIEISA-N 1 2 237.365 0.776 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc(F)c[nH]1 ZINC000336532339 384071441 /nfs/dbraw/zinc/07/14/41/384071441.db2.gz HAWPNJBJJMXCGU-UHFFFAOYSA-N 1 2 222.223 0.817 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000332515507 384072566 /nfs/dbraw/zinc/07/25/66/384072566.db2.gz ZPCHVZYDSJQGPL-UHFFFAOYSA-N 1 2 215.297 0.710 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000332515507 384072572 /nfs/dbraw/zinc/07/25/72/384072572.db2.gz ZPCHVZYDSJQGPL-UHFFFAOYSA-N 1 2 215.297 0.710 20 0 BCADLO COC(=O)CCC[N@H+](C)CC(=O)OC ZINC000050047859 384101847 /nfs/dbraw/zinc/10/18/47/384101847.db2.gz HUABUSSNIGVZPE-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO COC(=O)CCC[N@@H+](C)CC(=O)OC ZINC000050047859 384101853 /nfs/dbraw/zinc/10/18/53/384101853.db2.gz HUABUSSNIGVZPE-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO COC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000492770915 533030711 /nfs/dbraw/zinc/03/07/11/533030711.db2.gz RHDJVPCBVADXJZ-XOULXFPDSA-N 1 2 239.275 0.201 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nnc(C)o1 ZINC000050053830 384105197 /nfs/dbraw/zinc/10/51/97/384105197.db2.gz YPXQYKYTXJNVGY-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nnc(C)o1 ZINC000050053830 384105202 /nfs/dbraw/zinc/10/52/02/384105202.db2.gz YPXQYKYTXJNVGY-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000050117046 384107858 /nfs/dbraw/zinc/10/78/58/384107858.db2.gz LQDYLANNZOZGQA-SNVBAGLBSA-N 1 2 214.265 0.422 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000050117046 384107863 /nfs/dbraw/zinc/10/78/63/384107863.db2.gz LQDYLANNZOZGQA-SNVBAGLBSA-N 1 2 214.265 0.422 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)C1CC1 ZINC000071140302 384152577 /nfs/dbraw/zinc/15/25/77/384152577.db2.gz GYNKAFUTKYUIDX-VIFPVBQESA-N 1 2 233.275 0.546 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1cnn(C)n1 ZINC000368124034 384152645 /nfs/dbraw/zinc/15/26/45/384152645.db2.gz PQMCDWFNBXXKKP-LLVKDONJSA-N 1 2 246.318 0.886 20 0 BCADLO COCCOCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227769347 134392990 /nfs/dbraw/zinc/39/29/90/134392990.db2.gz ZUEBYTINZOGPDL-SNVBAGLBSA-N 1 2 231.292 0.191 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H](O)C1CC1 ZINC000070880732 384139351 /nfs/dbraw/zinc/13/93/51/384139351.db2.gz QTSXRKFSJYJCNF-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@H]1CCOC1 ZINC000518672375 384171872 /nfs/dbraw/zinc/17/18/72/384171872.db2.gz PCUNUARIGGZUAL-MRVPVSSYSA-N 1 2 233.275 0.905 20 0 BCADLO CC(C)SCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420900 384174945 /nfs/dbraw/zinc/17/49/45/384174945.db2.gz LVUYMFTYDWMPAS-SNVBAGLBSA-N 1 2 246.376 0.575 20 0 BCADLO CC(C)SCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420900 384174951 /nfs/dbraw/zinc/17/49/51/384174951.db2.gz LVUYMFTYDWMPAS-SNVBAGLBSA-N 1 2 246.376 0.575 20 0 BCADLO CC(C)SCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600420892 384175017 /nfs/dbraw/zinc/17/50/17/384175017.db2.gz LVUYMFTYDWMPAS-JTQLQIEISA-N 1 2 246.376 0.575 20 0 BCADLO CC(C)SCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600420892 384175022 /nfs/dbraw/zinc/17/50/22/384175022.db2.gz LVUYMFTYDWMPAS-JTQLQIEISA-N 1 2 246.376 0.575 20 0 BCADLO CC(C)[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000092401843 384177266 /nfs/dbraw/zinc/17/72/66/384177266.db2.gz FGWZLQGSUFPMKG-SECBINFHSA-N 1 2 235.291 0.792 20 0 BCADLO CC(C)(C)[C@H](O)C[N@@H+]1CCn2cnnc2C1 ZINC000081538793 384182859 /nfs/dbraw/zinc/18/28/59/384182859.db2.gz JMONZONDQRMKFE-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@H](O)C[N@H+]1CCn2cnnc2C1 ZINC000081538793 384182861 /nfs/dbraw/zinc/18/28/61/384182861.db2.gz JMONZONDQRMKFE-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000642803942 384205354 /nfs/dbraw/zinc/20/53/54/384205354.db2.gz MFWMVRZBJWPWDL-PSASIEDQSA-N 1 2 220.276 0.817 20 0 BCADLO C[C@@H](CC[NH2+]Cc1ccn[nH]1)[S@](C)=O ZINC000132590264 384195050 /nfs/dbraw/zinc/19/50/50/384195050.db2.gz OASCXPQAZGUSGQ-RMLUDKJBSA-N 1 2 215.322 0.656 20 0 BCADLO C[C@@H](CC[NH2+]Cc1ccn[nH]1)[S@@](C)=O ZINC000132590629 384195153 /nfs/dbraw/zinc/19/51/53/384195153.db2.gz OASCXPQAZGUSGQ-RTHLEPHNSA-N 1 2 215.322 0.656 20 0 BCADLO CC(C)[C@@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093054947 384207948 /nfs/dbraw/zinc/20/79/48/384207948.db2.gz XROPDNGBWPZWEK-SNVBAGLBSA-N 1 2 222.292 0.366 20 0 BCADLO CC(C)[C@@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093054947 384207954 /nfs/dbraw/zinc/20/79/54/384207954.db2.gz XROPDNGBWPZWEK-SNVBAGLBSA-N 1 2 222.292 0.366 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000042211472 384208107 /nfs/dbraw/zinc/20/81/07/384208107.db2.gz ZRMBLNIZFMIZGJ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000042211472 384208113 /nfs/dbraw/zinc/20/81/13/384208113.db2.gz ZRMBLNIZFMIZGJ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)CCC[N@@H+]1CCNC(=O)C1(C)C ZINC000082475582 384231338 /nfs/dbraw/zinc/23/13/38/384231338.db2.gz OAXCMJQUEJQKNH-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)CCC[N@H+]1CCNC(=O)C1(C)C ZINC000082475582 384231347 /nfs/dbraw/zinc/23/13/47/384231347.db2.gz OAXCMJQUEJQKNH-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093417026 384235798 /nfs/dbraw/zinc/23/57/98/384235798.db2.gz RRMCYCGQRLUGFV-SECBINFHSA-N 1 2 245.348 0.665 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093417026 384235804 /nfs/dbraw/zinc/23/58/04/384235804.db2.gz RRMCYCGQRLUGFV-SECBINFHSA-N 1 2 245.348 0.665 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)CCO1 ZINC000248035619 384238925 /nfs/dbraw/zinc/23/89/25/384238925.db2.gz LBSXOGVXGIAZNV-NXEZZACHSA-N 1 2 214.309 0.751 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H](CC)C(N)=O)CCO1 ZINC000248035619 384238941 /nfs/dbraw/zinc/23/89/41/384238941.db2.gz LBSXOGVXGIAZNV-NXEZZACHSA-N 1 2 214.309 0.751 20 0 BCADLO CC1(C)C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093084531 384211897 /nfs/dbraw/zinc/21/18/97/384211897.db2.gz ZYSNYDMLWFYJDB-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CC1(C)C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093084531 384211903 /nfs/dbraw/zinc/21/19/03/384211903.db2.gz ZYSNYDMLWFYJDB-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000078605158 384212385 /nfs/dbraw/zinc/21/23/85/384212385.db2.gz KDCMSOQKPINWPZ-NWDGAFQWSA-N 1 2 241.379 0.927 20 0 BCADLO CN(CCCCO)C(=O)CCn1cc[nH+]c1 ZINC000351788130 384217842 /nfs/dbraw/zinc/21/78/42/384217842.db2.gz ZDJJIFQOXBGESV-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1cnccn1 ZINC000402897691 384221689 /nfs/dbraw/zinc/22/16/89/384221689.db2.gz JLUFESHNSBJQPC-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1cnccn1 ZINC000402897691 384221695 /nfs/dbraw/zinc/22/16/95/384221695.db2.gz JLUFESHNSBJQPC-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173847097 384223525 /nfs/dbraw/zinc/22/35/25/384223525.db2.gz GYGUAOZVZUEVGB-JTQLQIEISA-N 1 2 226.320 0.895 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173847097 384223534 /nfs/dbraw/zinc/22/35/34/384223534.db2.gz GYGUAOZVZUEVGB-JTQLQIEISA-N 1 2 226.320 0.895 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351815578 384228043 /nfs/dbraw/zinc/22/80/43/384228043.db2.gz WOIYTVYHYPSMDJ-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351815578 384228048 /nfs/dbraw/zinc/22/80/48/384228048.db2.gz WOIYTVYHYPSMDJ-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nncn2C)[C@@H]1C ZINC000558693831 384248945 /nfs/dbraw/zinc/24/89/45/384248945.db2.gz VSSONLOHBVVIMY-BDAKNGLRSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nncn2C)[C@@H]1C ZINC000558693831 384248950 /nfs/dbraw/zinc/24/89/50/384248950.db2.gz VSSONLOHBVVIMY-BDAKNGLRSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nncn2C)[C@H]1C ZINC000558693832 384249132 /nfs/dbraw/zinc/24/91/32/384249132.db2.gz VSSONLOHBVVIMY-DTWKUNHWSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nncn2C)[C@H]1C ZINC000558693832 384249136 /nfs/dbraw/zinc/24/91/36/384249136.db2.gz VSSONLOHBVVIMY-DTWKUNHWSA-N 1 2 238.291 0.199 20 0 BCADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000093559776 384249597 /nfs/dbraw/zinc/24/95/97/384249597.db2.gz WWIODXITPOWQBH-BDAKNGLRSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000093559776 384249604 /nfs/dbraw/zinc/24/96/04/384249604.db2.gz WWIODXITPOWQBH-BDAKNGLRSA-N 1 2 243.332 0.417 20 0 BCADLO Cn1ccnc1CNc1ccc(CO)c[nH+]1 ZINC000291629359 384261958 /nfs/dbraw/zinc/26/19/58/384261958.db2.gz SFZCJLROKGQSEH-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093771549 384269530 /nfs/dbraw/zinc/26/95/30/384269530.db2.gz OZPCZLLNYJPPMS-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093771549 384269532 /nfs/dbraw/zinc/26/95/32/384269532.db2.gz OZPCZLLNYJPPMS-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO C[C@H](C(=O)Nc1cn[nH]c1)[NH+]1CCSCC1 ZINC000133047939 384270298 /nfs/dbraw/zinc/27/02/98/384270298.db2.gz XOTUPDFYBGWORK-MRVPVSSYSA-N 1 2 240.332 0.786 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]n1 ZINC000560698090 384305843 /nfs/dbraw/zinc/30/58/43/384305843.db2.gz DCVWRJPTFURKJP-SSDOTTSWSA-N 1 2 219.248 0.932 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000352770729 384317859 /nfs/dbraw/zinc/31/78/59/384317859.db2.gz UAAVJKFEUBRLEN-MNOVXSKESA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000352770729 384317865 /nfs/dbraw/zinc/31/78/65/384317865.db2.gz UAAVJKFEUBRLEN-MNOVXSKESA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000036179619 384318639 /nfs/dbraw/zinc/31/86/39/384318639.db2.gz HULROULZZSVKSS-UHFFFAOYSA-N 1 2 243.351 0.664 20 0 BCADLO CSCC[N@H+](C)Cc1ncnn1C ZINC000173965684 384292359 /nfs/dbraw/zinc/29/23/59/384292359.db2.gz UGMFYUNDWPAJBI-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO CSCC[N@@H+](C)Cc1ncnn1C ZINC000173965684 384292362 /nfs/dbraw/zinc/29/23/62/384292362.db2.gz UGMFYUNDWPAJBI-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO Cc1nc(NC[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000304437410 384297833 /nfs/dbraw/zinc/29/78/33/384297833.db2.gz HISNNGOVKRNTGF-JGVFFNPUSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000304437410 384297837 /nfs/dbraw/zinc/29/78/37/384297837.db2.gz HISNNGOVKRNTGF-JGVFFNPUSA-N 1 2 223.280 0.335 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000119711274 384298311 /nfs/dbraw/zinc/29/83/11/384298311.db2.gz CRUHTBLLEMBRLF-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC000119711274 384298318 /nfs/dbraw/zinc/29/83/18/384298318.db2.gz CRUHTBLLEMBRLF-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332714609 384338306 /nfs/dbraw/zinc/33/83/06/384338306.db2.gz PQFQSBFXRGSQID-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332714609 384338309 /nfs/dbraw/zinc/33/83/09/384338309.db2.gz PQFQSBFXRGSQID-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CO[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[C@@H]1C ZINC000302574940 384346992 /nfs/dbraw/zinc/34/69/92/384346992.db2.gz AVRJVUPNAKJFNH-CBAPKCEASA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@H]1CN(c2nc(N)nc(C)[nH+]2)CC[C@@H]1C ZINC000302574940 384347000 /nfs/dbraw/zinc/34/70/00/384347000.db2.gz AVRJVUPNAKJFNH-CBAPKCEASA-N 1 2 237.307 0.623 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332735349 384347438 /nfs/dbraw/zinc/34/74/38/384347438.db2.gz VUFBHWJWCBSQJL-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332735349 384347447 /nfs/dbraw/zinc/34/74/47/384347447.db2.gz VUFBHWJWCBSQJL-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120377670 384348185 /nfs/dbraw/zinc/34/81/85/384348185.db2.gz SIRGNMYHHUUITH-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120377670 384348189 /nfs/dbraw/zinc/34/81/89/384348189.db2.gz SIRGNMYHHUUITH-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1nc(NCCOCC(F)F)nc(N)[nH+]1 ZINC000304522713 384352938 /nfs/dbraw/zinc/35/29/38/384352938.db2.gz SIQQQXFYCFYOLQ-UHFFFAOYSA-N 1 2 233.222 0.456 20 0 BCADLO Cc1nc(N)nc(NCCOCC(F)F)[nH+]1 ZINC000304522713 384352942 /nfs/dbraw/zinc/35/29/42/384352942.db2.gz SIQQQXFYCFYOLQ-UHFFFAOYSA-N 1 2 233.222 0.456 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](O)C1 ZINC000083995545 384355460 /nfs/dbraw/zinc/35/54/60/384355460.db2.gz ODRCUDIIOXDSRT-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](O)C1 ZINC000083995545 384355465 /nfs/dbraw/zinc/35/54/65/384355465.db2.gz ODRCUDIIOXDSRT-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCCO1 ZINC000084081684 384360999 /nfs/dbraw/zinc/36/09/99/384360999.db2.gz NWGLTVVZYBNHHY-VIFPVBQESA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCCO1 ZINC000084081684 384361006 /nfs/dbraw/zinc/36/10/06/384361006.db2.gz NWGLTVVZYBNHHY-VIFPVBQESA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnccn1 ZINC000084081762 384364974 /nfs/dbraw/zinc/36/49/74/384364974.db2.gz HIKVIFMGLZZYTM-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnccn1 ZINC000084081762 384364980 /nfs/dbraw/zinc/36/49/80/384364980.db2.gz HIKVIFMGLZZYTM-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO Cn1nnnc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000330364558 384370321 /nfs/dbraw/zinc/37/03/21/384370321.db2.gz RETJSBXDSKNAFR-ZETCQYMHSA-N 1 2 226.284 0.250 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)nn1 ZINC000095010539 384326576 /nfs/dbraw/zinc/32/65/76/384326576.db2.gz HFYRBYHFCYHTSM-MRVPVSSYSA-N 1 2 246.274 0.273 20 0 BCADLO Cc1csc(C[N@@H+](C)[C@H]2COC[C@H]2O)n1 ZINC000352799161 384326706 /nfs/dbraw/zinc/32/67/06/384326706.db2.gz FJGDSJXYGYNDTE-DTWKUNHWSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1csc(C[N@H+](C)[C@H]2COC[C@H]2O)n1 ZINC000352799161 384326713 /nfs/dbraw/zinc/32/67/13/384326713.db2.gz FJGDSJXYGYNDTE-DTWKUNHWSA-N 1 2 228.317 0.643 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)nn1 ZINC000095010538 384327384 /nfs/dbraw/zinc/32/73/84/384327384.db2.gz HFYRBYHFCYHTSM-QMMMGPOBSA-N 1 2 246.274 0.273 20 0 BCADLO Cc1nc(N[C@@H](C)[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000304503442 384334245 /nfs/dbraw/zinc/33/42/45/384334245.db2.gz QNIUQQYNOLFTKN-POYBYMJQSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@@H]2CCOC2)[nH+]1 ZINC000304503442 384334252 /nfs/dbraw/zinc/33/42/52/384334252.db2.gz QNIUQQYNOLFTKN-POYBYMJQSA-N 1 2 223.280 0.599 20 0 BCADLO COc1ncncc1C[NH2+]CC(=O)NC(C)C ZINC000647168993 384334579 /nfs/dbraw/zinc/33/45/79/384334579.db2.gz UUESGNAKACAEMJ-UHFFFAOYSA-N 1 2 238.291 0.099 20 0 BCADLO Cc1nc(N[C@H]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000304555341 384398089 /nfs/dbraw/zinc/39/80/89/384398089.db2.gz XZAGIKUQGFYJPB-XPUUQOCRSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCO[C@@H](C)C2)[nH+]1 ZINC000304555341 384398095 /nfs/dbraw/zinc/39/80/95/384398095.db2.gz XZAGIKUQGFYJPB-XPUUQOCRSA-N 1 2 223.280 0.742 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000045753340 384405230 /nfs/dbraw/zinc/40/52/30/384405230.db2.gz MOQKLTNWFBHGHA-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000045753340 384405237 /nfs/dbraw/zinc/40/52/37/384405237.db2.gz MOQKLTNWFBHGHA-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO COCCC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000302627845 384421827 /nfs/dbraw/zinc/42/18/27/384421827.db2.gz POGBOIHAQCQLOM-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO COCCC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000302627845 384421834 /nfs/dbraw/zinc/42/18/34/384421834.db2.gz POGBOIHAQCQLOM-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000363489702 384465885 /nfs/dbraw/zinc/46/58/85/384465885.db2.gz MLXUDKOUXHCYDQ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000363489702 384465887 /nfs/dbraw/zinc/46/58/87/384465887.db2.gz MLXUDKOUXHCYDQ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000363489705 384466993 /nfs/dbraw/zinc/46/69/93/384466993.db2.gz MLXUDKOUXHCYDQ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363489705 384466999 /nfs/dbraw/zinc/46/69/99/384466999.db2.gz MLXUDKOUXHCYDQ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000148836335 384474999 /nfs/dbraw/zinc/47/49/99/384474999.db2.gz ULMUIHLPTZRDQN-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000148836335 384475004 /nfs/dbraw/zinc/47/50/04/384475004.db2.gz ULMUIHLPTZRDQN-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CCC(F)(F)C1 ZINC000569620143 384479004 /nfs/dbraw/zinc/47/90/04/384479004.db2.gz ZBZHUOBWPLHBHT-MRVPVSSYSA-N 1 2 218.247 0.854 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CCC(F)(F)C1 ZINC000569620143 384479010 /nfs/dbraw/zinc/47/90/10/384479010.db2.gz ZBZHUOBWPLHBHT-MRVPVSSYSA-N 1 2 218.247 0.854 20 0 BCADLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)CC1(F)CC1 ZINC000564509177 384482920 /nfs/dbraw/zinc/48/29/20/384482920.db2.gz MYJGLNBKFYXQIJ-SECBINFHSA-N 1 2 235.324 0.855 20 0 BCADLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)CC1(F)CC1 ZINC000564509177 384482923 /nfs/dbraw/zinc/48/29/23/384482923.db2.gz MYJGLNBKFYXQIJ-SECBINFHSA-N 1 2 235.324 0.855 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000363491181 384484992 /nfs/dbraw/zinc/48/49/92/384484992.db2.gz SURXQHDJMBOVCH-IUCAKERBSA-N 1 2 211.265 0.977 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000363491181 384484999 /nfs/dbraw/zinc/48/49/99/384484999.db2.gz SURXQHDJMBOVCH-IUCAKERBSA-N 1 2 211.265 0.977 20 0 BCADLO Cc1nc(N2C[C@@H](CO)OC(C)(C)C2)cc[nH+]1 ZINC000163723559 384496490 /nfs/dbraw/zinc/49/64/90/384496490.db2.gz QBHVJDXDGAPZBW-JTQLQIEISA-N 1 2 237.303 0.761 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250527 384506579 /nfs/dbraw/zinc/50/65/79/384506579.db2.gz YLBAGANEBUPCCS-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO COc1ccc(F)cc1C[N@H+](C)CC(N)=O ZINC000048871634 384512352 /nfs/dbraw/zinc/51/23/52/384512352.db2.gz NSNMVTKZMQIXFJ-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COc1ccc(F)cc1C[N@@H+](C)CC(N)=O ZINC000048871634 384512356 /nfs/dbraw/zinc/51/23/56/384512356.db2.gz NSNMVTKZMQIXFJ-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO CCONC(=O)N(C)CCCn1cc[nH+]c1 ZINC000136904136 384512749 /nfs/dbraw/zinc/51/27/49/384512749.db2.gz QRHXAUWUILLHSX-UHFFFAOYSA-N 1 2 226.280 0.866 20 0 BCADLO CC[C@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000147505894 384525697 /nfs/dbraw/zinc/52/56/97/384525697.db2.gz AVGGCSZCVFGCPM-VIFPVBQESA-N 1 2 232.349 0.316 20 0 BCADLO CCONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049370016 384532823 /nfs/dbraw/zinc/53/28/23/384532823.db2.gz JUGCUCSNJDLCEU-MRVPVSSYSA-N 1 2 212.253 0.522 20 0 BCADLO CCOC(=O)C1([N@H+](C)CC(N)=O)CCCCC1 ZINC000151207401 384547172 /nfs/dbraw/zinc/54/71/72/384547172.db2.gz ROZUWVIJWZIONA-UHFFFAOYSA-N 1 2 242.319 0.670 20 0 BCADLO CCOC(=O)C1([N@@H+](C)CC(N)=O)CCCCC1 ZINC000151207401 384547180 /nfs/dbraw/zinc/54/71/80/384547180.db2.gz ROZUWVIJWZIONA-UHFFFAOYSA-N 1 2 242.319 0.670 20 0 BCADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccon1 ZINC000357933298 384548098 /nfs/dbraw/zinc/54/80/98/384548098.db2.gz JGRHAMSZGAKKSQ-MRVPVSSYSA-N 1 2 249.274 0.969 20 0 BCADLO CCCc1noc(C[N@H+](C)CCCO)n1 ZINC000300789504 384548831 /nfs/dbraw/zinc/54/88/31/384548831.db2.gz HCZOSYGFTLINTF-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCCc1noc(C[N@@H+](C)CCCO)n1 ZINC000300789504 384548835 /nfs/dbraw/zinc/54/88/35/384548835.db2.gz HCZOSYGFTLINTF-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CC[NH+]1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000161966456 384551026 /nfs/dbraw/zinc/55/10/26/384551026.db2.gz NQQCJWLHISJJDP-LLVKDONJSA-N 1 2 248.392 0.305 20 0 BCADLO CCN1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000161966456 384551034 /nfs/dbraw/zinc/55/10/34/384551034.db2.gz NQQCJWLHISJJDP-LLVKDONJSA-N 1 2 248.392 0.305 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000569608858 384537088 /nfs/dbraw/zinc/53/70/88/384537088.db2.gz PRTSIZALLBNEHC-OHBODLIOSA-N 1 2 247.298 0.207 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000335093527 384541817 /nfs/dbraw/zinc/54/18/17/384541817.db2.gz CPLSYBKNYZGRLP-WPRPVWTQSA-N 1 2 211.240 0.784 20 0 BCADLO Cc1nc(NCC2(C)CCOCC2)nc(N)[nH+]1 ZINC000306072554 384568623 /nfs/dbraw/zinc/56/86/23/384568623.db2.gz CZOWLHJNKKAVTO-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO Cc1nc(N)nc(NCC2(C)CCOCC2)[nH+]1 ZINC000306072554 384568633 /nfs/dbraw/zinc/56/86/33/384568633.db2.gz CZOWLHJNKKAVTO-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO Cc1nc(NCC2CCC(O)CC2)nc(N)[nH+]1 ZINC000306106115 384572706 /nfs/dbraw/zinc/57/27/06/384572706.db2.gz RNKPNBSLZRELGA-UHFFFAOYSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NCC2CCC(O)CC2)[nH+]1 ZINC000306106115 384572712 /nfs/dbraw/zinc/57/27/12/384572712.db2.gz RNKPNBSLZRELGA-UHFFFAOYSA-N 1 2 237.307 0.725 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C(=O)OC ZINC000310029560 384574415 /nfs/dbraw/zinc/57/44/15/384574415.db2.gz QQMUQXYTZMLSFX-UTLUCORTSA-N 1 2 233.308 0.171 20 0 BCADLO Cn1cnc2c1CC[N@@H+]([C@H]1CCOC1)C2 ZINC000363472483 384577906 /nfs/dbraw/zinc/57/79/06/384577906.db2.gz QSHYEPAFIVZHFS-VIFPVBQESA-N 1 2 207.277 0.567 20 0 BCADLO Cn1cnc2c1CC[N@H+]([C@H]1CCOC1)C2 ZINC000363472483 384577907 /nfs/dbraw/zinc/57/79/07/384577907.db2.gz QSHYEPAFIVZHFS-VIFPVBQESA-N 1 2 207.277 0.567 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@H]1CCOC1)C2 ZINC000363472483 384577911 /nfs/dbraw/zinc/57/79/11/384577911.db2.gz QSHYEPAFIVZHFS-VIFPVBQESA-N 1 2 207.277 0.567 20 0 BCADLO COCC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408196478 384579053 /nfs/dbraw/zinc/57/90/53/384579053.db2.gz CPSKELWOYXUVQG-MRVPVSSYSA-N 1 2 226.280 0.684 20 0 BCADLO COCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408196478 384579061 /nfs/dbraw/zinc/57/90/61/384579061.db2.gz CPSKELWOYXUVQG-MRVPVSSYSA-N 1 2 226.280 0.684 20 0 BCADLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000047617985 384621605 /nfs/dbraw/zinc/62/16/05/384621605.db2.gz BNVSQIHAFYBJPK-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184575379 384621969 /nfs/dbraw/zinc/62/19/69/384621969.db2.gz XOMBQQJZOQRQGO-QWRGUYRKSA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184575379 384621977 /nfs/dbraw/zinc/62/19/77/384621977.db2.gz XOMBQQJZOQRQGO-QWRGUYRKSA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000184575395 384622617 /nfs/dbraw/zinc/62/26/17/384622617.db2.gz XOMBQQJZOQRQGO-MNOVXSKESA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000184575395 384622622 /nfs/dbraw/zinc/62/26/22/384622622.db2.gz XOMBQQJZOQRQGO-MNOVXSKESA-N 1 2 237.303 0.885 20 0 BCADLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CC(N)=O ZINC000047629002 384624229 /nfs/dbraw/zinc/62/42/29/384624229.db2.gz QLDAPLOHDOUWPQ-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(N)=O ZINC000047629002 384624234 /nfs/dbraw/zinc/62/42/34/384624234.db2.gz QLDAPLOHDOUWPQ-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CC(N)=O ZINC000047629000 384624245 /nfs/dbraw/zinc/62/42/45/384624245.db2.gz QLDAPLOHDOUWPQ-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(N)=O ZINC000047629000 384624249 /nfs/dbraw/zinc/62/42/49/384624249.db2.gz QLDAPLOHDOUWPQ-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO COC(=O)CCC[NH2+]C(C)(C)C(=O)OC ZINC000117336368 384626591 /nfs/dbraw/zinc/62/65/91/384626591.db2.gz CIIPQGZITXZXDA-UHFFFAOYSA-N 1 2 217.265 0.481 20 0 BCADLO CC1(C)C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000103140105 384594774 /nfs/dbraw/zinc/59/47/74/384594774.db2.gz AVPXUPQTPRQHLX-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CC1(C)C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000103140105 384594778 /nfs/dbraw/zinc/59/47/78/384594778.db2.gz AVPXUPQTPRQHLX-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO C[N@H+](CC(=O)N1CCCCC1)Cc1cnccn1 ZINC000080965640 384597167 /nfs/dbraw/zinc/59/71/67/384597167.db2.gz JCYPZYYCWHFTTP-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1cnccn1 ZINC000080965640 384597179 /nfs/dbraw/zinc/59/71/79/384597179.db2.gz JCYPZYYCWHFTTP-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO COCC[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408037140 384601572 /nfs/dbraw/zinc/60/15/72/384601572.db2.gz ZAGCXUMQCXJYSQ-SNVBAGLBSA-N 1 2 240.307 0.313 20 0 BCADLO COCC[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408037140 384601576 /nfs/dbraw/zinc/60/15/76/384601576.db2.gz ZAGCXUMQCXJYSQ-SNVBAGLBSA-N 1 2 240.307 0.313 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000309844499 384663243 /nfs/dbraw/zinc/66/32/43/384663243.db2.gz FWRWXEQQLVUILE-GHMZBOCLSA-N 1 2 225.292 0.348 20 0 BCADLO Cc1ncncc1C(=O)N1CC[NH+](C)CC1 ZINC000082303442 384663615 /nfs/dbraw/zinc/66/36/15/384663615.db2.gz LZDPDWROQDFCJP-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO COC(=O)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000048584246 384676214 /nfs/dbraw/zinc/67/62/14/384676214.db2.gz JDBANFYSWIQJSA-UHFFFAOYSA-N 1 2 233.271 0.939 20 0 BCADLO CN(Cc1nnc[nH]1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561335052 384666301 /nfs/dbraw/zinc/66/63/01/384666301.db2.gz AZXSYLDNRSUEOS-UHFFFAOYSA-N 1 2 237.307 0.105 20 0 BCADLO CN(Cc1nc[nH]n1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561335052 384666309 /nfs/dbraw/zinc/66/63/09/384666309.db2.gz AZXSYLDNRSUEOS-UHFFFAOYSA-N 1 2 237.307 0.105 20 0 BCADLO CCCCn1nnnc1C[N@H+](CCO)C1CC1 ZINC000048065142 384669846 /nfs/dbraw/zinc/66/98/46/384669846.db2.gz XFHPINIOCAYUKI-UHFFFAOYSA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CCO)C1CC1 ZINC000048065142 384669850 /nfs/dbraw/zinc/66/98/50/384669850.db2.gz XFHPINIOCAYUKI-UHFFFAOYSA-N 1 2 239.323 0.430 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@](F)(CO)C2)c1Cl ZINC000309612139 384642823 /nfs/dbraw/zinc/64/28/23/384642823.db2.gz MWCOTTGCULNHJI-SECBINFHSA-N 1 2 246.673 0.623 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@](F)(CO)C2)c1Cl ZINC000309612139 384642832 /nfs/dbraw/zinc/64/28/32/384642832.db2.gz MWCOTTGCULNHJI-SECBINFHSA-N 1 2 246.673 0.623 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000172989931 384644190 /nfs/dbraw/zinc/64/41/90/384644190.db2.gz ILVBTRFYFMMQBL-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000172989931 384644197 /nfs/dbraw/zinc/64/41/97/384644197.db2.gz ILVBTRFYFMMQBL-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO C[C@@H](C(=O)Nc1nncn1C)[NH+]1CC(C)C1 ZINC000561316886 384648217 /nfs/dbraw/zinc/64/82/17/384648217.db2.gz GTVHZMLNTXPESH-QMMMGPOBSA-N 1 2 223.280 0.094 20 0 BCADLO CC(C)OC(=O)N1CC[NH+](CCO)CC1 ZINC000044240390 384651939 /nfs/dbraw/zinc/65/19/39/384651939.db2.gz NBEVFVMTLZKOHU-UHFFFAOYSA-N 1 2 216.281 0.141 20 0 BCADLO Cc1cc(N[C@@H](C)C(=O)NCCF)nc[nH+]1 ZINC000309833951 384654309 /nfs/dbraw/zinc/65/43/09/384654309.db2.gz ZKZVUYGBHHYMCT-QMMMGPOBSA-N 1 2 226.255 0.671 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCCO2)c[nH+]1 ZINC000082268151 384657477 /nfs/dbraw/zinc/65/74/77/384657477.db2.gz VWFMBIDZCGULCP-MRVPVSSYSA-N 1 2 209.249 0.627 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)CS(C)(=O)=O ZINC000162662776 384660313 /nfs/dbraw/zinc/66/03/13/384660313.db2.gz DLBGIONNIDFDSJ-QMMMGPOBSA-N 1 2 202.279 0.564 20 0 BCADLO CCCCn1nnnc1C[N@H+](CC)CCO ZINC000049754698 384679067 /nfs/dbraw/zinc/67/90/67/384679067.db2.gz DDWSJLAWOWZFEH-UHFFFAOYSA-N 1 2 227.312 0.287 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CC)CCO ZINC000049754698 384679073 /nfs/dbraw/zinc/67/90/73/384679073.db2.gz DDWSJLAWOWZFEH-UHFFFAOYSA-N 1 2 227.312 0.287 20 0 BCADLO COC(=O)C[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000533835075 384681614 /nfs/dbraw/zinc/68/16/14/384681614.db2.gz OLOKWEXFBJYINS-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)C[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000533835075 384681621 /nfs/dbraw/zinc/68/16/21/384681621.db2.gz OLOKWEXFBJYINS-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCn1cccn1 ZINC000049947973 384686144 /nfs/dbraw/zinc/68/61/44/384686144.db2.gz NGECQXKKPYFQJQ-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCn1cccn1 ZINC000049947973 384686149 /nfs/dbraw/zinc/68/61/49/384686149.db2.gz NGECQXKKPYFQJQ-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CC[N@H+](CCC(=O)OC)CC(=O)OC ZINC000049949358 384687752 /nfs/dbraw/zinc/68/77/52/384687752.db2.gz PUEBEPSPTMJTRB-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO CC[N@@H+](CCC(=O)OC)CC(=O)OC ZINC000049949358 384687755 /nfs/dbraw/zinc/68/77/55/384687755.db2.gz PUEBEPSPTMJTRB-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086759615 384687972 /nfs/dbraw/zinc/68/79/72/384687972.db2.gz JEJWODRQTTVLDM-VXNVDRBHSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086759615 384687977 /nfs/dbraw/zinc/68/79/77/384687977.db2.gz JEJWODRQTTVLDM-VXNVDRBHSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000125062618 384694506 /nfs/dbraw/zinc/69/45/06/384694506.db2.gz SICLKQJJQVGNCK-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000125062618 384694511 /nfs/dbraw/zinc/69/45/11/384694511.db2.gz SICLKQJJQVGNCK-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104595321 384699483 /nfs/dbraw/zinc/69/94/83/384699483.db2.gz PNRPDEIMSNNYKB-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC1(C)CC[C@@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408042108 384706171 /nfs/dbraw/zinc/70/61/71/384706171.db2.gz GDHRGJSKNNKTSS-UTLUCORTSA-N 1 2 244.310 0.842 20 0 BCADLO CC1(C)CC[C@@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408042108 384706176 /nfs/dbraw/zinc/70/61/76/384706176.db2.gz GDHRGJSKNNKTSS-UTLUCORTSA-N 1 2 244.310 0.842 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccnc(Cl)c1 ZINC000051606301 384711707 /nfs/dbraw/zinc/71/17/07/384711707.db2.gz DLLRLLTWHRBTEJ-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccnc(Cl)c1 ZINC000051606301 384711712 /nfs/dbraw/zinc/71/17/12/384711712.db2.gz DLLRLLTWHRBTEJ-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO COCCc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000304343712 384721028 /nfs/dbraw/zinc/72/10/28/384721028.db2.gz ZSRZHFWFALTLAV-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000304343712 384721030 /nfs/dbraw/zinc/72/10/30/384721030.db2.gz ZSRZHFWFALTLAV-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000308510949 384773877 /nfs/dbraw/zinc/77/38/77/384773877.db2.gz KUQWATPYFFJPMJ-DTWKUNHWSA-N 1 2 203.282 0.809 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000308510951 384774441 /nfs/dbraw/zinc/77/44/41/384774441.db2.gz KUQWATPYFFJPMJ-RKDXNWHRSA-N 1 2 203.282 0.809 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H](O)C1CCC1 ZINC000316005659 384728420 /nfs/dbraw/zinc/72/84/20/384728420.db2.gz JMOZPROFZQTDKK-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401502312 384732915 /nfs/dbraw/zinc/73/29/15/384732915.db2.gz PQNXTBWSDPBWOZ-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401502312 384732917 /nfs/dbraw/zinc/73/29/17/384732917.db2.gz PQNXTBWSDPBWOZ-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCCOCC1)[C@H](C)O ZINC000309952387 384737666 /nfs/dbraw/zinc/73/76/66/384737666.db2.gz GTSJVOBRFCSNSH-LPEHRKFASA-N 1 2 231.292 0.068 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCCOCC1)[C@@H](C)O ZINC000309952386 384738162 /nfs/dbraw/zinc/73/81/62/384738162.db2.gz GTSJVOBRFCSNSH-KXUCPTDWSA-N 1 2 231.292 0.068 20 0 BCADLO CCc1cc(N)nc(SCC(=O)NC)[nH+]1 ZINC000279053769 384764698 /nfs/dbraw/zinc/76/46/98/384764698.db2.gz HQRKDANGULDEEC-UHFFFAOYSA-N 1 2 226.305 0.459 20 0 BCADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC(N)=O)s1 ZINC000126094135 384767950 /nfs/dbraw/zinc/76/79/50/384767950.db2.gz MYEFJBKOBFTHGT-ZCFIWIBFSA-N 1 2 242.304 0.297 20 0 BCADLO NC(=O)C1([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000308502714 384769812 /nfs/dbraw/zinc/76/98/12/384769812.db2.gz BBJRAXNUQZIGKX-UHFFFAOYSA-N 1 2 231.708 0.904 20 0 BCADLO CN(CCCCO)c1nc[nH+]c(N)c1Cl ZINC000277702357 384816312 /nfs/dbraw/zinc/81/63/12/384816312.db2.gz GNFISLYZESSEBK-UHFFFAOYSA-N 1 2 230.699 0.921 20 0 BCADLO CN(CCCCO)c1[nH+]cnc(N)c1Cl ZINC000277702357 384816320 /nfs/dbraw/zinc/81/63/20/384816320.db2.gz GNFISLYZESSEBK-UHFFFAOYSA-N 1 2 230.699 0.921 20 0 BCADLO Cc1n[nH]cc1CNC(=O)NCc1c[nH+]cn1C ZINC000358553894 384817215 /nfs/dbraw/zinc/81/72/15/384817215.db2.gz DWXDJJACXYXDEZ-UHFFFAOYSA-N 1 2 248.290 0.451 20 0 BCADLO CC(C)N(C(=O)[C@H]1COCC[N@@H+]1C)C(C)C ZINC000644340273 384833139 /nfs/dbraw/zinc/83/31/39/384833139.db2.gz IGXDGLQIUPALIK-LLVKDONJSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C(=O)[C@H]1COCC[N@H+]1C)C(C)C ZINC000644340273 384833146 /nfs/dbraw/zinc/83/31/46/384833146.db2.gz IGXDGLQIUPALIK-LLVKDONJSA-N 1 2 228.336 0.962 20 0 BCADLO CN(C)C(=O)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000061785106 384785721 /nfs/dbraw/zinc/78/57/21/384785721.db2.gz KTVLUYLAGGYVDK-UHFFFAOYSA-N 1 2 246.314 0.854 20 0 BCADLO Cn1c2ccccc2[nH+]c1NC(CO)CO ZINC000083694758 384793155 /nfs/dbraw/zinc/79/31/55/384793155.db2.gz LPQNOYRKIYURRM-UHFFFAOYSA-N 1 2 221.260 0.338 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnn1C ZINC000186343549 384836210 /nfs/dbraw/zinc/83/62/10/384836210.db2.gz SBCUJOJBWZWTKJ-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnn1C ZINC000186343549 384836217 /nfs/dbraw/zinc/83/62/17/384836217.db2.gz SBCUJOJBWZWTKJ-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO COC[C@H]([NH2+]C[C@H]1C[C@H]1C)C(=O)OC ZINC000308592521 384836355 /nfs/dbraw/zinc/83/63/55/384836355.db2.gz KXJIXBNRZAMRRN-HLTSFMKQSA-N 1 2 201.266 0.420 20 0 BCADLO COC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000308547211 384796654 /nfs/dbraw/zinc/79/66/54/384796654.db2.gz WCXSYKZXQIXJGF-DTWKUNHWSA-N 1 2 201.266 0.564 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCO[C@H]1C ZINC000518215464 384804328 /nfs/dbraw/zinc/80/43/28/384804328.db2.gz RYWCSFSXDZWFBH-UWVGGRQHSA-N 1 2 237.303 0.944 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000103149599 384813992 /nfs/dbraw/zinc/81/39/92/384813992.db2.gz WQBIDGOUFQHHOI-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000103149599 384814000 /nfs/dbraw/zinc/81/40/00/384814000.db2.gz WQBIDGOUFQHHOI-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000308622911 384878344 /nfs/dbraw/zinc/87/83/44/384878344.db2.gz UTARDTKMJHYZLO-RKDXNWHRSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@]1(C)CCCN1Cc1c[nH+]cn1C ZINC000186360615 384838794 /nfs/dbraw/zinc/83/87/94/384838794.db2.gz SUEASHBSICTBGX-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO COCCc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000177035466 384848280 /nfs/dbraw/zinc/84/82/80/384848280.db2.gz RVYIOZDDUCTHDX-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000177035466 384848286 /nfs/dbraw/zinc/84/82/86/384848286.db2.gz RVYIOZDDUCTHDX-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO CN(C[C@H]1CCOC1)c1[nH+]cnc2c1cnn2C ZINC000174920561 384849559 /nfs/dbraw/zinc/84/95/59/384849559.db2.gz JTAXLNFLDDVLAJ-SECBINFHSA-N 1 2 247.302 0.836 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1csnn1 ZINC000398222009 384853782 /nfs/dbraw/zinc/85/37/82/384853782.db2.gz DNQISKXEZOMYLP-SSDOTTSWSA-N 1 2 228.321 0.667 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1csnn1 ZINC000398227984 384857584 /nfs/dbraw/zinc/85/75/84/384857584.db2.gz GKISTXFDQRKXDJ-ZETCQYMHSA-N 1 2 240.332 0.715 20 0 BCADLO COCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000242502463 384860688 /nfs/dbraw/zinc/86/06/88/384860688.db2.gz BUPNIOWONYDRJL-UHFFFAOYSA-N 1 2 238.291 0.372 20 0 BCADLO COCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000242502463 384860695 /nfs/dbraw/zinc/86/06/95/384860695.db2.gz BUPNIOWONYDRJL-UHFFFAOYSA-N 1 2 238.291 0.372 20 0 BCADLO Cc1nocc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000402550562 384953441 /nfs/dbraw/zinc/95/34/41/384953441.db2.gz DXGYHJWHRIYUIH-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO CC(C)NC(=O)OC1C[NH+]([C@H](C)[C@@H](C)O)C1 ZINC000497307085 384956639 /nfs/dbraw/zinc/95/66/39/384956639.db2.gz OHUFZWTUDULBEE-RKDXNWHRSA-N 1 2 230.308 0.575 20 0 BCADLO CC(C)NC(=O)OC1C[NH+]([C@H](C)[C@H](C)O)C1 ZINC000497307082 384956910 /nfs/dbraw/zinc/95/69/10/384956910.db2.gz OHUFZWTUDULBEE-BDAKNGLRSA-N 1 2 230.308 0.575 20 0 BCADLO CC(C)(C)c1nc(NC(CO)CO)cc[nH+]1 ZINC000301507557 384890670 /nfs/dbraw/zinc/89/06/70/384890670.db2.gz DFRGIDRPHNQSMO-UHFFFAOYSA-N 1 2 225.292 0.539 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336267363 384900946 /nfs/dbraw/zinc/90/09/46/384900946.db2.gz MAXOJGADXQHGSK-GMSGAONNSA-N 1 2 231.271 0.394 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](C)(F)C1 ZINC000336267363 384900952 /nfs/dbraw/zinc/90/09/52/384900952.db2.gz MAXOJGADXQHGSK-GMSGAONNSA-N 1 2 231.271 0.394 20 0 BCADLO Cn1c[nH+]c2c1CCN(Cc1ccon1)C2 ZINC000363507617 384902574 /nfs/dbraw/zinc/90/25/74/384902574.db2.gz YULCNOWEHOAGPY-UHFFFAOYSA-N 1 2 218.260 0.966 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267365 384904133 /nfs/dbraw/zinc/90/41/33/384904133.db2.gz MAXOJGADXQHGSK-XCBNKYQSSA-N 1 2 231.271 0.394 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](C)(F)C1 ZINC000336267365 384904139 /nfs/dbraw/zinc/90/41/39/384904139.db2.gz MAXOJGADXQHGSK-XCBNKYQSSA-N 1 2 231.271 0.394 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000156640186 384904456 /nfs/dbraw/zinc/90/44/56/384904456.db2.gz VIAIPYIZJHRXGP-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000156640186 384904462 /nfs/dbraw/zinc/90/44/62/384904462.db2.gz VIAIPYIZJHRXGP-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2C3CCC2CC3)C1 ZINC000530565267 384906542 /nfs/dbraw/zinc/90/65/42/384906542.db2.gz YNFGJJQMWJJBDP-ILDUYXDCSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2C3CCC2CC3)C1 ZINC000530565267 384906548 /nfs/dbraw/zinc/90/65/48/384906548.db2.gz YNFGJJQMWJJBDP-ILDUYXDCSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@]1(F)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000336270118 384908384 /nfs/dbraw/zinc/90/83/84/384908384.db2.gz LHQXSNIQXCVEHN-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO C[C@]1(F)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000336270118 384908389 /nfs/dbraw/zinc/90/83/89/384908389.db2.gz LHQXSNIQXCVEHN-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CC(C)NC(=O)OC1C[NH+]([C@@H](C)[C@H](C)O)C1 ZINC000497307084 384958882 /nfs/dbraw/zinc/95/88/82/384958882.db2.gz OHUFZWTUDULBEE-IUCAKERBSA-N 1 2 230.308 0.575 20 0 BCADLO C[C@@](O)(C[NH+]1CCOCC1)C(F)(F)F ZINC000306379444 384910544 /nfs/dbraw/zinc/91/05/44/384910544.db2.gz PXFDPTVQSNAWCH-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000051818155 384910708 /nfs/dbraw/zinc/91/07/08/384910708.db2.gz OSNFKVSAXSPLFT-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000051821521 384920389 /nfs/dbraw/zinc/92/03/89/384920389.db2.gz UTLMTKIDLPANJE-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000051821521 384920394 /nfs/dbraw/zinc/92/03/94/384920394.db2.gz UTLMTKIDLPANJE-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO CS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408174167 384936120 /nfs/dbraw/zinc/93/61/20/384936120.db2.gz PTESADKZOAVRRB-SSDOTTSWSA-N 1 2 215.278 0.506 20 0 BCADLO CCn1ncnc1C[NH+]1CCC(C)(O)CC1 ZINC000088023567 384967754 /nfs/dbraw/zinc/96/77/54/384967754.db2.gz HYZZNVNWGRJPIP-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000085791160 384968034 /nfs/dbraw/zinc/96/80/34/384968034.db2.gz SICSZGJJRJDTNN-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000085791160 384968037 /nfs/dbraw/zinc/96/80/37/384968037.db2.gz SICSZGJJRJDTNN-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CCc1cc(N)nc(SCC(N)=O)[nH+]1 ZINC000279146582 384969331 /nfs/dbraw/zinc/96/93/31/384969331.db2.gz ZCZDUCGFLBDBOV-UHFFFAOYSA-N 1 2 212.278 0.199 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000152173569 384987425 /nfs/dbraw/zinc/98/74/25/384987425.db2.gz BBYTVSOMNWDOHK-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000152173569 384987432 /nfs/dbraw/zinc/98/74/32/384987432.db2.gz BBYTVSOMNWDOHK-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2cc(CO)cc[nH+]2)C1 ZINC000401602478 384992788 /nfs/dbraw/zinc/99/27/88/384992788.db2.gz AYQAGIUODHILIW-KOLCDFICSA-N 1 2 222.288 0.781 20 0 BCADLO CO[C@]1(C[NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000156872028 384999167 /nfs/dbraw/zinc/99/91/67/384999167.db2.gz VBIOMJLUHHCOKJ-NSHDSACASA-N 1 2 225.292 0.613 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1csnn1 ZINC000518371446 384999247 /nfs/dbraw/zinc/99/92/47/384999247.db2.gz YEMZOFATORFEOC-HTQZYQBOSA-N 1 2 215.278 0.042 20 0 BCADLO CN(C[C@H](O)C1CC1)c1nc[nH+]c(N)c1Cl ZINC000302881876 385012028 /nfs/dbraw/zinc/01/20/28/385012028.db2.gz IJRMSRQSOFIKLS-ZETCQYMHSA-N 1 2 242.710 0.919 20 0 BCADLO CN(C[C@H](O)C1CC1)c1[nH+]cnc(N)c1Cl ZINC000302881876 385012030 /nfs/dbraw/zinc/01/20/30/385012030.db2.gz IJRMSRQSOFIKLS-ZETCQYMHSA-N 1 2 242.710 0.919 20 0 BCADLO CCC[C@]1([NH2+]CC(=O)OC)CCOC1 ZINC000308740062 385047443 /nfs/dbraw/zinc/04/74/43/385047443.db2.gz OBXNVTFZQFAHJO-JTQLQIEISA-N 1 2 201.266 0.708 20 0 BCADLO Cn1c[nH+]cc1COc1ccc(CO)nc1 ZINC000086792802 385047753 /nfs/dbraw/zinc/04/77/53/385047753.db2.gz VVUKKCQEBMDFGM-UHFFFAOYSA-N 1 2 219.244 0.886 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000188390073 385048690 /nfs/dbraw/zinc/04/86/90/385048690.db2.gz STEMRDPTVSZJBE-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000188390073 385048694 /nfs/dbraw/zinc/04/86/94/385048694.db2.gz STEMRDPTVSZJBE-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046344 385065529 /nfs/dbraw/zinc/06/55/29/385065529.db2.gz WENQLRPOBSLAGE-IMSYWVGJSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046344 385065537 /nfs/dbraw/zinc/06/55/37/385065537.db2.gz WENQLRPOBSLAGE-IMSYWVGJSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C[C@H]2CC[C@@H]1O2 ZINC000188655152 385074889 /nfs/dbraw/zinc/07/48/89/385074889.db2.gz LCOPHOAWDYZHMZ-MDZLAQPJSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccn[nH]1 ZINC000131309175 385081792 /nfs/dbraw/zinc/08/17/92/385081792.db2.gz HWUGWKQSHWVBGU-CLAHSXSESA-N 1 2 215.322 0.656 20 0 BCADLO Cc1nnc(C[N@H+](CCO)CC(C)(C)C)[nH]1 ZINC000644668301 385082720 /nfs/dbraw/zinc/08/27/20/385082720.db2.gz RDRUJBXAQSIHQX-UHFFFAOYSA-N 1 2 226.324 0.954 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)CC(C)(C)C)[nH]1 ZINC000644668301 385082723 /nfs/dbraw/zinc/08/27/23/385082723.db2.gz RDRUJBXAQSIHQX-UHFFFAOYSA-N 1 2 226.324 0.954 20 0 BCADLO CCC[C@@H](O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000644619282 385028647 /nfs/dbraw/zinc/02/86/47/385028647.db2.gz SOCKAPIPLFKFJL-LLVKDONJSA-N 1 2 237.303 0.776 20 0 BCADLO CCCc1noc(C[N@H+](CCO)C[C@@H](C)O)n1 ZINC000310396428 385031446 /nfs/dbraw/zinc/03/14/46/385031446.db2.gz FQGZBAMTKRWXNK-SECBINFHSA-N 1 2 243.307 0.197 20 0 BCADLO CCCc1noc(C[N@@H+](CCO)C[C@@H](C)O)n1 ZINC000310396428 385031452 /nfs/dbraw/zinc/03/14/52/385031452.db2.gz FQGZBAMTKRWXNK-SECBINFHSA-N 1 2 243.307 0.197 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[C@H]2F)CCO1 ZINC000564851202 385036500 /nfs/dbraw/zinc/03/65/00/385036500.db2.gz HXTAECACOBFWRR-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[C@H]2F)CCO1 ZINC000564851202 385036504 /nfs/dbraw/zinc/03/65/04/385036504.db2.gz HXTAECACOBFWRR-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)o1 ZINC000088094175 385040201 /nfs/dbraw/zinc/04/02/01/385040201.db2.gz QKKFWOXGPJYISH-NSHDSACASA-N 1 2 211.261 0.781 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)o1 ZINC000088094175 385040208 /nfs/dbraw/zinc/04/02/08/385040208.db2.gz QKKFWOXGPJYISH-NSHDSACASA-N 1 2 211.261 0.781 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000115576568 385044937 /nfs/dbraw/zinc/04/49/37/385044937.db2.gz RCFFZIBTRRZZMM-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000115576568 385044940 /nfs/dbraw/zinc/04/49/40/385044940.db2.gz RCFFZIBTRRZZMM-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516662341 385115980 /nfs/dbraw/zinc/11/59/80/385115980.db2.gz ZTTRKCYFHKLGKI-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516662341 385115983 /nfs/dbraw/zinc/11/59/83/385115983.db2.gz ZTTRKCYFHKLGKI-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000407951936 385127504 /nfs/dbraw/zinc/12/75/04/385127504.db2.gz KUEWSLQOPLOIRS-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000407951936 385127512 /nfs/dbraw/zinc/12/75/12/385127512.db2.gz KUEWSLQOPLOIRS-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO Cc1ccnc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000061859282 385142218 /nfs/dbraw/zinc/14/22/18/385142218.db2.gz HZODLPPBCXAJHV-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cn1nnc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC000644716772 385133041 /nfs/dbraw/zinc/13/30/41/385133041.db2.gz ZUKYPEVQCKOJFU-OLZOCXBDSA-N 1 2 244.298 0.941 20 0 BCADLO Cn1nnc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC000644716772 385133048 /nfs/dbraw/zinc/13/30/48/385133048.db2.gz ZUKYPEVQCKOJFU-OLZOCXBDSA-N 1 2 244.298 0.941 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C)n1C ZINC000345847636 385137334 /nfs/dbraw/zinc/13/73/34/385137334.db2.gz ZHLRBKPUIGUQIN-VIFPVBQESA-N 1 2 212.297 0.326 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C)n1C ZINC000345847636 385137339 /nfs/dbraw/zinc/13/73/39/385137339.db2.gz ZHLRBKPUIGUQIN-VIFPVBQESA-N 1 2 212.297 0.326 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)CCS1(=O)=O ZINC000407948777 385095286 /nfs/dbraw/zinc/09/52/86/385095286.db2.gz KNXUPNDCLDJTNV-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO CCC[C@](C)([NH2+]CCCO)C(=O)OC ZINC000304004643 385095858 /nfs/dbraw/zinc/09/58/58/385095858.db2.gz JCKGMCJSBTXCSK-JTQLQIEISA-N 1 2 203.282 0.690 20 0 BCADLO CC(C)CS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000568883531 385099880 /nfs/dbraw/zinc/09/98/80/385099880.db2.gz LRZDSUYFMMRTJT-UHFFFAOYSA-N 1 2 231.321 0.827 20 0 BCADLO CC(C)CS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000568883531 385099894 /nfs/dbraw/zinc/09/98/94/385099894.db2.gz LRZDSUYFMMRTJT-UHFFFAOYSA-N 1 2 231.321 0.827 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1CCn1cc[nH+]c1 ZINC000407949371 385101984 /nfs/dbraw/zinc/10/19/84/385101984.db2.gz RQHLNBMWGAYZSX-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO CC[C@H](O)CCNc1nc(C)[nH+]c(N)n1 ZINC000308788594 385105973 /nfs/dbraw/zinc/10/59/73/385105973.db2.gz CFTAUMLFBAZMPH-ZETCQYMHSA-N 1 2 211.269 0.335 20 0 BCADLO CC[C@H](O)CCNc1nc(N)nc(C)[nH+]1 ZINC000308788594 385105977 /nfs/dbraw/zinc/10/59/77/385105977.db2.gz CFTAUMLFBAZMPH-ZETCQYMHSA-N 1 2 211.269 0.335 20 0 BCADLO COCCn1ccc(NCc2c[nH+]cn2C)n1 ZINC000152408015 385182380 /nfs/dbraw/zinc/18/23/80/385182380.db2.gz MEGZTEQJUMVLDB-UHFFFAOYSA-N 1 2 235.291 0.875 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)c1ccccc1 ZINC000177141911 385188897 /nfs/dbraw/zinc/18/88/97/385188897.db2.gz CZYHFKULHLKKLU-LLVKDONJSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)c1ccccc1 ZINC000177141911 385188901 /nfs/dbraw/zinc/18/89/01/385188901.db2.gz CZYHFKULHLKKLU-LLVKDONJSA-N 1 2 232.287 0.970 20 0 BCADLO Nc1ccnc(C[NH+]2CCC(CO)CC2)n1 ZINC000305096361 385193458 /nfs/dbraw/zinc/19/34/58/385193458.db2.gz SZLZENUBDXADLC-UHFFFAOYSA-N 1 2 222.292 0.263 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2COCCN2C)c(C)[nH+]1 ZINC000408050560 385197308 /nfs/dbraw/zinc/19/73/08/385197308.db2.gz DSJMBKLPRHBBHA-GFCCVEGCSA-N 1 2 249.314 0.968 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856642 533106320 /nfs/dbraw/zinc/10/63/20/533106320.db2.gz CJHLAMDRVKHMBO-CGECUYNFSA-N 1 2 223.276 0.963 20 0 BCADLO CC(C)(C[NH2+]Cc1ccn[nH]1)[C@]1(O)CCOC1 ZINC000647246682 385144160 /nfs/dbraw/zinc/14/41/60/385144160.db2.gz NQYBXZBJGRFIFT-LBPRGKRZSA-N 1 2 239.319 0.677 20 0 BCADLO CCCc1nc(C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000177994528 385151740 /nfs/dbraw/zinc/15/17/40/385151740.db2.gz SMTWKBRSJDZCSU-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1nc(C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000177994528 385151744 /nfs/dbraw/zinc/15/17/44/385151744.db2.gz SMTWKBRSJDZCSU-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000177976811 385152912 /nfs/dbraw/zinc/15/29/12/385152912.db2.gz UVHNKWJJYHCLOY-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000177976811 385152920 /nfs/dbraw/zinc/15/29/20/385152920.db2.gz UVHNKWJJYHCLOY-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO CC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000308808790 385177475 /nfs/dbraw/zinc/17/74/75/385177475.db2.gz BPQJKPVFLHJSCX-VHSXEESVSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000407961814 385178464 /nfs/dbraw/zinc/17/84/64/385178464.db2.gz BBKUZXYEPPDTPA-NQMVMOMDSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000407961814 385178469 /nfs/dbraw/zinc/17/84/69/385178469.db2.gz BBKUZXYEPPDTPA-NQMVMOMDSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccon1 ZINC000308837105 385210082 /nfs/dbraw/zinc/21/00/82/385210082.db2.gz IPZVUGIGNCKNRZ-SFYZADRCSA-N 1 2 232.305 0.758 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](C)CO ZINC000644786013 385210574 /nfs/dbraw/zinc/21/05/74/385210574.db2.gz TYTNJLPMFMJSOY-SNVBAGLBSA-N 1 2 226.324 0.919 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](C)CO ZINC000644786013 385210578 /nfs/dbraw/zinc/21/05/78/385210578.db2.gz TYTNJLPMFMJSOY-SNVBAGLBSA-N 1 2 226.324 0.919 20 0 BCADLO COC(=O)CN(Cc1c[nH+]cn1C)C(C)C ZINC000090233454 385219233 /nfs/dbraw/zinc/21/92/33/385219233.db2.gz MEISPMPHIIOVDO-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO NC(=O)[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000110392748 385233360 /nfs/dbraw/zinc/23/33/60/385233360.db2.gz QJBBVOHICSTGKI-SECBINFHSA-N 1 2 248.286 0.045 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@]1(C)CCOC1 ZINC000153479561 385257617 /nfs/dbraw/zinc/25/76/17/385257617.db2.gz VUZCCCLTOVIGFC-LLVKDONJSA-N 1 2 233.275 0.954 20 0 BCADLO Cc1nc(C(=O)N2CC[NH+](C3CC3)CC2)no1 ZINC000136739603 385248828 /nfs/dbraw/zinc/24/88/28/385248828.db2.gz QBNHMJXAZRIPFC-UHFFFAOYSA-N 1 2 236.275 0.298 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccn1C ZINC000153271604 385248852 /nfs/dbraw/zinc/24/88/52/385248852.db2.gz RAUALIRDAIQUNR-UHFFFAOYSA-N 1 2 209.293 0.545 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccn1C ZINC000153271604 385248857 /nfs/dbraw/zinc/24/88/57/385248857.db2.gz RAUALIRDAIQUNR-UHFFFAOYSA-N 1 2 209.293 0.545 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccnn1C ZINC000130440940 385250836 /nfs/dbraw/zinc/25/08/36/385250836.db2.gz ZPQGOLOGLKIEDC-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000130440940 385250838 /nfs/dbraw/zinc/25/08/38/385250838.db2.gz ZPQGOLOGLKIEDC-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cn[nH]c1 ZINC000308825756 385205413 /nfs/dbraw/zinc/20/54/13/385205413.db2.gz RJMQMOQGUNTADP-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cnn(C)c1 ZINC000044500267 385205659 /nfs/dbraw/zinc/20/56/59/385205659.db2.gz WONIPYRVZDDNSD-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cnc[nH]1 ZINC000191572915 385308986 /nfs/dbraw/zinc/30/89/86/385308986.db2.gz YWTQJIDSQRCNQV-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cnc[nH]1 ZINC000191572915 385308992 /nfs/dbraw/zinc/30/89/92/385308992.db2.gz YWTQJIDSQRCNQV-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1c[nH]cn1 ZINC000191572915 385308995 /nfs/dbraw/zinc/30/89/95/385308995.db2.gz YWTQJIDSQRCNQV-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1c[nH]cn1 ZINC000191572915 385308996 /nfs/dbraw/zinc/30/89/96/385308996.db2.gz YWTQJIDSQRCNQV-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CC[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC ZINC000313060537 385312828 /nfs/dbraw/zinc/31/28/28/385312828.db2.gz WBYVGLDURFRDMZ-DTWKUNHWSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(O)C1 ZINC000177989745 385313921 /nfs/dbraw/zinc/31/39/21/385313921.db2.gz DYXWUFIQAXORKA-UHFFFAOYSA-N 1 2 217.228 0.151 20 0 BCADLO CCN(CC(N)=O)Cc1[nH+]ccn1CC ZINC000191708762 385319261 /nfs/dbraw/zinc/31/92/61/385319261.db2.gz ILKKPEZUGQXIET-UHFFFAOYSA-N 1 2 210.281 0.210 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000191712585 385320049 /nfs/dbraw/zinc/32/00/49/385320049.db2.gz VNHLEGBMPDDSLY-UHFFFAOYSA-N 1 2 233.275 0.037 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000191712585 385320053 /nfs/dbraw/zinc/32/00/53/385320053.db2.gz VNHLEGBMPDDSLY-UHFFFAOYSA-N 1 2 233.275 0.037 20 0 BCADLO COC1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000648337860 385265193 /nfs/dbraw/zinc/26/51/93/385265193.db2.gz SGIJQUGWQNPONC-SNVBAGLBSA-N 1 2 249.314 0.915 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000130625716 385267907 /nfs/dbraw/zinc/26/79/07/385267907.db2.gz OVQAWBMBCGAXIW-UHFFFAOYSA-N 1 2 208.261 0.976 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@@H]1c1cccs1 ZINC000033889586 385268803 /nfs/dbraw/zinc/26/88/03/385268803.db2.gz AKCSDYAJUUUAAU-SECBINFHSA-N 1 2 226.301 0.213 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@@H]1c1cccs1 ZINC000033889586 385268809 /nfs/dbraw/zinc/26/88/09/385268809.db2.gz AKCSDYAJUUUAAU-SECBINFHSA-N 1 2 226.301 0.213 20 0 BCADLO CCCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164919113 385323175 /nfs/dbraw/zinc/32/31/75/385323175.db2.gz YEJOOHMUYOXQLQ-UHFFFAOYSA-N 1 2 230.280 0.300 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)c1cccc2[nH]nnc21 ZINC000558025850 385287959 /nfs/dbraw/zinc/28/79/59/385287959.db2.gz MEANOWRYGLZFHV-QMMMGPOBSA-N 1 2 247.302 0.638 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000407984068 385293573 /nfs/dbraw/zinc/29/35/73/385293573.db2.gz VIAJVCJIMHGHGQ-GFCCVEGCSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000407984068 385293577 /nfs/dbraw/zinc/29/35/77/385293577.db2.gz VIAJVCJIMHGHGQ-GFCCVEGCSA-N 1 2 238.335 0.990 20 0 BCADLO CS(=O)(=O)C1(C[NH2+]Cc2cscn2)CC1 ZINC000308921182 385293753 /nfs/dbraw/zinc/29/37/53/385293753.db2.gz HCXVFLKIDRBHGF-UHFFFAOYSA-N 1 2 246.357 0.810 20 0 BCADLO CO[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000292234265 385294101 /nfs/dbraw/zinc/29/41/01/385294101.db2.gz FWMLUIMAUHHSQK-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO CCc1nc(CN2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000157864048 385296127 /nfs/dbraw/zinc/29/61/27/385296127.db2.gz LLLKDZBJSGQDLX-UHFFFAOYSA-N 1 2 235.335 0.647 20 0 BCADLO CCN(CC(=O)OC)Cc1[nH+]ccn1CC ZINC000052345187 385302076 /nfs/dbraw/zinc/30/20/76/385302076.db2.gz GYXKJILACVHSFV-UHFFFAOYSA-N 1 2 225.292 0.898 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1nccs1 ZINC000289738548 385331712 /nfs/dbraw/zinc/33/17/12/385331712.db2.gz JKXUGXWBQNFDBS-QMMMGPOBSA-N 1 2 216.306 0.318 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1nccs1 ZINC000289738548 385331719 /nfs/dbraw/zinc/33/17/19/385331719.db2.gz JKXUGXWBQNFDBS-QMMMGPOBSA-N 1 2 216.306 0.318 20 0 BCADLO NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000407995120 385331673 /nfs/dbraw/zinc/33/16/73/385331673.db2.gz GYFWLARHJXNTKN-UHFFFAOYSA-N 1 2 220.276 0.278 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000131453694 385334006 /nfs/dbraw/zinc/33/40/06/385334006.db2.gz AFTWTUQHEJLUCR-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CCC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000131453453 385335432 /nfs/dbraw/zinc/33/54/32/385335432.db2.gz AFTWTUQHEJLUCR-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000227849353 385343742 /nfs/dbraw/zinc/34/37/42/385343742.db2.gz JSZGUIKPLRCNIR-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO C[C@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000227849353 385343746 /nfs/dbraw/zinc/34/37/46/385343746.db2.gz JSZGUIKPLRCNIR-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000407997627 385344162 /nfs/dbraw/zinc/34/41/62/385344162.db2.gz KSVMDRKUAUUEND-MRVPVSSYSA-N 1 2 229.305 0.169 20 0 BCADLO CO[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178350211 385359269 /nfs/dbraw/zinc/35/92/69/385359269.db2.gz MXOVUXJHVFCFGG-VIFPVBQESA-N 1 2 233.271 0.985 20 0 BCADLO CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)C(=O)OC ZINC000192859607 385375349 /nfs/dbraw/zinc/37/53/49/385375349.db2.gz KSDKHRLRBCYDST-VIFPVBQESA-N 1 2 244.335 0.690 20 0 BCADLO Cn1nnc(C[N@H+](C)CCc2ccncc2)n1 ZINC000193002263 385380043 /nfs/dbraw/zinc/38/00/43/385380043.db2.gz IPPDQDJZELCEPO-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO Cn1nnc(C[N@@H+](C)CCc2ccncc2)n1 ZINC000193002263 385380047 /nfs/dbraw/zinc/38/00/47/385380047.db2.gz IPPDQDJZELCEPO-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000193097749 385385244 /nfs/dbraw/zinc/38/52/44/385385244.db2.gz ZGAKTUUPQOMLEB-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000193097733 385385393 /nfs/dbraw/zinc/38/53/93/385385393.db2.gz ZGAKTUUPQOMLEB-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO CC(C)(O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408010072 385387119 /nfs/dbraw/zinc/38/71/19/385387119.db2.gz NCHQWBCLRJHDBB-MRVPVSSYSA-N 1 2 241.291 0.726 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408010072 385387122 /nfs/dbraw/zinc/38/71/22/385387122.db2.gz NCHQWBCLRJHDBB-MRVPVSSYSA-N 1 2 241.291 0.726 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000313065014 385325335 /nfs/dbraw/zinc/32/53/35/385325335.db2.gz YWSVFYXDGWLPPE-QMMMGPOBSA-N 1 2 201.266 0.564 20 0 BCADLO c1cn(CCN2CCOC[C@@]23CCOC3)c[nH+]1 ZINC000193668794 385407269 /nfs/dbraw/zinc/40/72/69/385407269.db2.gz DVTRCAQKLXODBH-LBPRGKRZSA-N 1 2 237.303 0.374 20 0 BCADLO c1cn(CC[N@@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000193668794 385407273 /nfs/dbraw/zinc/40/72/73/385407273.db2.gz DVTRCAQKLXODBH-LBPRGKRZSA-N 1 2 237.303 0.374 20 0 BCADLO c1cn(CC[N@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000193668794 385407276 /nfs/dbraw/zinc/40/72/76/385407276.db2.gz DVTRCAQKLXODBH-LBPRGKRZSA-N 1 2 237.303 0.374 20 0 BCADLO C[C@@H](O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166042987 385441999 /nfs/dbraw/zinc/44/19/99/385441999.db2.gz KZXSYURDBIATNP-KOLCDFICSA-N 1 2 222.288 0.781 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000179127757 385442963 /nfs/dbraw/zinc/44/29/63/385442963.db2.gz OKEWRJPZTSMFFG-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC000179127757 385442967 /nfs/dbraw/zinc/44/29/67/385442967.db2.gz OKEWRJPZTSMFFG-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000179136012 385445069 /nfs/dbraw/zinc/44/50/69/385445069.db2.gz SJESOQJEBAAABG-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000179136012 385445071 /nfs/dbraw/zinc/44/50/71/385445071.db2.gz SJESOQJEBAAABG-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(C)cn1 ZINC000179324027 385458563 /nfs/dbraw/zinc/45/85/63/385458563.db2.gz YUZXJOOUYAFMEC-UHFFFAOYSA-N 1 2 247.302 0.779 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](C)OC ZINC000182123952 385431794 /nfs/dbraw/zinc/43/17/94/385431794.db2.gz WVAHEBDJCKQOAY-MRVPVSSYSA-N 1 2 203.282 0.953 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCCO ZINC000194422824 385434001 /nfs/dbraw/zinc/43/40/01/385434001.db2.gz HSIYMMZDRALPRP-UHFFFAOYSA-N 1 2 207.237 0.250 20 0 BCADLO Cn1nnc(C[N@H+](C)CCc2ccccc2)n1 ZINC000194432349 385435480 /nfs/dbraw/zinc/43/54/80/385435480.db2.gz GEJGTULAKDWEJM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1nnc(C[N@@H+](C)CCc2ccccc2)n1 ZINC000194432349 385435482 /nfs/dbraw/zinc/43/54/82/385435482.db2.gz GEJGTULAKDWEJM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1nnc(C[N@H+](C)CCc2cccs2)n1 ZINC000194438856 385435604 /nfs/dbraw/zinc/43/56/04/385435604.db2.gz UULRMASLZHNRJF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1nnc(C[N@@H+](C)CCc2cccs2)n1 ZINC000194438856 385435608 /nfs/dbraw/zinc/43/56/08/385435608.db2.gz UULRMASLZHNRJF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CC[C@@H]([NH2+]CC(=O)OC)[C@H]1CCCO1 ZINC000182245888 385436690 /nfs/dbraw/zinc/43/66/90/385436690.db2.gz ZPTSORYFDIAOFZ-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cccnc1 ZINC000156138832 385437390 /nfs/dbraw/zinc/43/73/90/385437390.db2.gz UHXXQAGPBDZWKJ-SNVBAGLBSA-N 1 2 221.304 0.990 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cccnc1 ZINC000156138832 385437395 /nfs/dbraw/zinc/43/73/95/385437395.db2.gz UHXXQAGPBDZWKJ-SNVBAGLBSA-N 1 2 221.304 0.990 20 0 BCADLO Cc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)n1C ZINC000492948455 385470057 /nfs/dbraw/zinc/47/00/57/385470057.db2.gz IJGBCLRBELOUOI-ONEGZZNKSA-N 1 2 232.247 0.499 20 0 BCADLO O=C1C[N@H+](CC2CC(F)(F)C2)CCN1 ZINC000336202275 385473739 /nfs/dbraw/zinc/47/37/39/385473739.db2.gz VLPJIWBGFGXATN-UHFFFAOYSA-N 1 2 204.220 0.464 20 0 BCADLO O=C1C[N@@H+](CC2CC(F)(F)C2)CCN1 ZINC000336202275 385473743 /nfs/dbraw/zinc/47/37/43/385473743.db2.gz VLPJIWBGFGXATN-UHFFFAOYSA-N 1 2 204.220 0.464 20 0 BCADLO O=C1CN(Cc2cccc3[nH+]ccn32)CCN1 ZINC000179561675 385474331 /nfs/dbraw/zinc/47/43/31/385474331.db2.gz YKYJSMMGPPMKOO-UHFFFAOYSA-N 1 2 230.271 0.266 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]1CO ZINC000179621015 385477505 /nfs/dbraw/zinc/47/75/05/385477505.db2.gz SLEIFBRIDIUDLB-LLVKDONJSA-N 1 2 245.282 0.931 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000336317474 385478676 /nfs/dbraw/zinc/47/86/76/385478676.db2.gz ZUXJCCTXVVPGKH-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000128404313 385481568 /nfs/dbraw/zinc/48/15/68/385481568.db2.gz CAAPZAVXAHMYPE-SNVBAGLBSA-N 1 2 225.292 0.220 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](CO)C1 ZINC000128404313 385481571 /nfs/dbraw/zinc/48/15/71/385481571.db2.gz CAAPZAVXAHMYPE-SNVBAGLBSA-N 1 2 225.292 0.220 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cnn2ccccc12 ZINC000179683027 385483779 /nfs/dbraw/zinc/48/37/79/385483779.db2.gz CPMAQYGGXZZAEK-UHFFFAOYSA-N 1 2 246.314 0.854 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000179683027 385483783 /nfs/dbraw/zinc/48/37/83/385483783.db2.gz CPMAQYGGXZZAEK-UHFFFAOYSA-N 1 2 246.314 0.854 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000157118584 385488764 /nfs/dbraw/zinc/48/87/64/385488764.db2.gz WTXDTYOSRKLRKX-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC000157118584 385488770 /nfs/dbraw/zinc/48/87/70/385488770.db2.gz WTXDTYOSRKLRKX-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000156561917 385459116 /nfs/dbraw/zinc/45/91/16/385459116.db2.gz XNQKKXKHPLDJRH-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000156561917 385459121 /nfs/dbraw/zinc/45/91/21/385459121.db2.gz XNQKKXKHPLDJRH-LLVKDONJSA-N 1 2 232.287 0.291 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000157118284 385487687 /nfs/dbraw/zinc/48/76/87/385487687.db2.gz WTXDTYOSRKLRKX-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccnn1C ZINC000157118284 385487690 /nfs/dbraw/zinc/48/76/90/385487690.db2.gz WTXDTYOSRKLRKX-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1nccc(N)n1 ZINC000309244156 385499338 /nfs/dbraw/zinc/49/93/38/385499338.db2.gz BOIHQTPQXVEXRW-RKDXNWHRSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1nccc(N)n1 ZINC000309244156 385499340 /nfs/dbraw/zinc/49/93/40/385499340.db2.gz BOIHQTPQXVEXRW-RKDXNWHRSA-N 1 2 222.292 0.404 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC000644134772 385515724 /nfs/dbraw/zinc/51/57/24/385515724.db2.gz AYHWZXBKEDKVSS-URLYPYJESA-N 1 2 244.298 0.941 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368801062 385545470 /nfs/dbraw/zinc/54/54/70/385545470.db2.gz VNWAAZNKYOWGQN-VIFPVBQESA-N 1 2 237.303 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368801062 385545473 /nfs/dbraw/zinc/54/54/73/385545473.db2.gz VNWAAZNKYOWGQN-VIFPVBQESA-N 1 2 237.303 0.979 20 0 BCADLO CCCCOCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934029 385546302 /nfs/dbraw/zinc/54/63/02/385546302.db2.gz FKFPRUXLQDADLY-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCCOCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934029 385546305 /nfs/dbraw/zinc/54/63/05/385546305.db2.gz FKFPRUXLQDADLY-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCO1 ZINC000364956477 385546858 /nfs/dbraw/zinc/54/68/58/385546858.db2.gz SMKGMOYGBLHGEN-SNVBAGLBSA-N 1 2 235.287 1.000 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000334419936 385547728 /nfs/dbraw/zinc/54/77/28/385547728.db2.gz QDBBYYDITNZQRA-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000334419936 385547731 /nfs/dbraw/zinc/54/77/31/385547731.db2.gz QDBBYYDITNZQRA-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CO1 ZINC000493100674 385519611 /nfs/dbraw/zinc/51/96/11/385519611.db2.gz BFMSNXMDQILTBQ-XPDWMRMNSA-N 1 2 221.260 0.717 20 0 BCADLO CCO/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493100690 385520069 /nfs/dbraw/zinc/52/00/69/385520069.db2.gz BIJZWDQHOFHDQY-VUHVRTRXSA-N 1 2 235.287 0.933 20 0 BCADLO CCOC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493100690 385520073 /nfs/dbraw/zinc/52/00/73/385520073.db2.gz BIJZWDQHOFHDQY-VUHVRTRXSA-N 1 2 235.287 0.933 20 0 BCADLO c1cc2[nH+]ccc(NC3COCCOC3)c2cn1 ZINC000644136993 385520672 /nfs/dbraw/zinc/52/06/72/385520672.db2.gz HCEUUOLLUXJCMD-UHFFFAOYSA-N 1 2 245.282 0.879 20 0 BCADLO Cn1nnnc1SCCCn1cc[nH+]c1 ZINC000180428354 385523566 /nfs/dbraw/zinc/52/35/66/385523566.db2.gz ADLADYLSDOAYHM-UHFFFAOYSA-N 1 2 224.293 0.589 20 0 BCADLO Cn1ncnc1C[N@H+](C)CCc1nccs1 ZINC000157809604 385524280 /nfs/dbraw/zinc/52/42/80/385524280.db2.gz XKGXLTVYTIMVBC-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CCc1nccs1 ZINC000157809604 385524283 /nfs/dbraw/zinc/52/42/83/385524283.db2.gz XKGXLTVYTIMVBC-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)NC)C(=O)OC ZINC000309411701 385574055 /nfs/dbraw/zinc/57/40/55/385574055.db2.gz BXYBITBFYURQMU-SCZZXKLOSA-N 1 2 230.308 0.300 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCO1 ZINC000364965108 385551483 /nfs/dbraw/zinc/55/14/83/385551483.db2.gz XYKXUUQFTZDXNH-SECBINFHSA-N 1 2 221.260 0.609 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCO1 ZINC000364965109 385551851 /nfs/dbraw/zinc/55/18/51/385551851.db2.gz XYKXUUQFTZDXNH-VIFPVBQESA-N 1 2 221.260 0.609 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(O)CC1 ZINC000408116117 385552875 /nfs/dbraw/zinc/55/28/75/385552875.db2.gz UKYDEPPDGJYXAZ-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC000228240433 385564509 /nfs/dbraw/zinc/56/45/09/385564509.db2.gz XHVFMVKPVOZKGI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC000228240433 385564510 /nfs/dbraw/zinc/56/45/10/385564510.db2.gz XHVFMVKPVOZKGI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCN(CC[N@@H+]1CCO[C@@H](C)C1)CC(=O)OC ZINC000337321211 385596647 /nfs/dbraw/zinc/59/66/47/385596647.db2.gz BVIBIXNREMMRBS-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC[N@H+]1CCO[C@@H](C)C1)CC(=O)OC ZINC000337321211 385596650 /nfs/dbraw/zinc/59/66/50/385596650.db2.gz BVIBIXNREMMRBS-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+](CCN1CCO[C@@H](C)C1)CC(=O)OC ZINC000337321211 385596653 /nfs/dbraw/zinc/59/66/53/385596653.db2.gz BVIBIXNREMMRBS-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+](CCN1CCO[C@@H](C)C1)CC(=O)OC ZINC000337321211 385596657 /nfs/dbraw/zinc/59/66/57/385596657.db2.gz BVIBIXNREMMRBS-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)ccn1 ZINC000365095823 385598799 /nfs/dbraw/zinc/59/87/99/385598799.db2.gz IYGQXTRGBBLYMK-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)ccn1 ZINC000365095823 385598805 /nfs/dbraw/zinc/59/88/05/385598805.db2.gz IYGQXTRGBBLYMK-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000411767902 385606660 /nfs/dbraw/zinc/60/66/60/385606660.db2.gz GQLDFSTYUKDFGS-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000411767902 385606665 /nfs/dbraw/zinc/60/66/65/385606665.db2.gz GQLDFSTYUKDFGS-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO COC[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000269543538 385605057 /nfs/dbraw/zinc/60/50/57/385605057.db2.gz MEYGXMIKUKKBBV-JTQLQIEISA-N 1 2 249.270 0.071 20 0 BCADLO C[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CC(=O)N1 ZINC000408161526 385580529 /nfs/dbraw/zinc/58/05/29/385580529.db2.gz NCEMGDPFYIHPPR-YUMQZZPRSA-N 1 2 249.270 0.062 20 0 BCADLO COC[C@H](CC(C)C)[NH2+]Cc1nnn(C)n1 ZINC000309440444 385583251 /nfs/dbraw/zinc/58/32/51/385583251.db2.gz IINQPGYNEQRMFO-VIFPVBQESA-N 1 2 227.312 0.361 20 0 BCADLO CCO/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000493570170 385584174 /nfs/dbraw/zinc/58/41/74/385584174.db2.gz XVPAMZIJRVVKQV-SOZJPDODSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000493570170 385584176 /nfs/dbraw/zinc/58/41/76/385584176.db2.gz XVPAMZIJRVVKQV-SOZJPDODSA-N 1 2 242.319 0.374 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000269659809 385620599 /nfs/dbraw/zinc/62/05/99/385620599.db2.gz XGAYJMZVVWLESB-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000269659809 385620602 /nfs/dbraw/zinc/62/06/02/385620602.db2.gz XGAYJMZVVWLESB-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@@H](O)CCNc1[nH+]cnc(-n2cccn2)c1N ZINC000269662492 385620769 /nfs/dbraw/zinc/62/07/69/385620769.db2.gz WSAAIZZHYSTSHP-MRVPVSSYSA-N 1 2 248.290 0.427 20 0 BCADLO Cc1[nH]c(C(=O)NCC(C)(C)CCO)c[nH+]1 ZINC000269686850 385622799 /nfs/dbraw/zinc/62/27/99/385622799.db2.gz NLJOVDBICQJETE-UHFFFAOYSA-N 1 2 225.292 0.857 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+]Cc1cc[nH]n1 ZINC000066971392 385624044 /nfs/dbraw/zinc/62/40/44/385624044.db2.gz QBVUQNVWFWIKAA-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000369337125 385626574 /nfs/dbraw/zinc/62/65/74/385626574.db2.gz AAPCCPBHXGIBED-HWPZZCPQSA-N 1 2 247.360 0.640 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000369337125 385626579 /nfs/dbraw/zinc/62/65/79/385626579.db2.gz AAPCCPBHXGIBED-HWPZZCPQSA-N 1 2 247.360 0.640 20 0 BCADLO CN(C)[C@@H](C(=O)N1CCCC1)c1c[nH+]cn1C ZINC000280872702 385611996 /nfs/dbraw/zinc/61/19/96/385611996.db2.gz YMUFHYODYBSGSZ-LLVKDONJSA-N 1 2 236.319 0.645 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000280857607 385613499 /nfs/dbraw/zinc/61/34/99/385613499.db2.gz MZBXKPAOGOMGOE-SECBINFHSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000280857607 385613503 /nfs/dbraw/zinc/61/35/03/385613503.db2.gz MZBXKPAOGOMGOE-SECBINFHSA-N 1 2 213.277 0.826 20 0 BCADLO CN(CCO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281144400 385639871 /nfs/dbraw/zinc/63/98/71/385639871.db2.gz ZJHRRPDQAZGMQG-UHFFFAOYSA-N 1 2 234.259 0.790 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000281185475 385643106 /nfs/dbraw/zinc/64/31/06/385643106.db2.gz LRNFDTOUMOHJBU-SECBINFHSA-N 1 2 239.275 0.293 20 0 BCADLO Cc1nnccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000269911583 385647453 /nfs/dbraw/zinc/64/74/53/385647453.db2.gz KPZOXNOISXTUGY-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@H]1CCNC1=O ZINC000340081411 385647998 /nfs/dbraw/zinc/64/79/98/385647998.db2.gz RTMVNTAKUBXREA-LBPRGKRZSA-N 1 2 242.282 0.955 20 0 BCADLO [NH3+][C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000057954616 385650440 /nfs/dbraw/zinc/65/04/40/385650440.db2.gz ZTGQXNMUKBVFJV-SNVBAGLBSA-N 1 2 236.246 0.454 20 0 BCADLO Cc1ccnc(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000269927983 385651520 /nfs/dbraw/zinc/65/15/20/385651520.db2.gz CGOHQZKIUHRUGV-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1ccnc(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000269927983 385651523 /nfs/dbraw/zinc/65/15/23/385651523.db2.gz CGOHQZKIUHRUGV-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CCO)C(C)C)c[nH+]1 ZINC000270036838 385662336 /nfs/dbraw/zinc/66/23/36/385662336.db2.gz CCQAYSFKKCUEPQ-VIFPVBQESA-N 1 2 225.292 0.855 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)CCCO)c[nH+]1 ZINC000270125976 385673283 /nfs/dbraw/zinc/67/32/83/385673283.db2.gz RYPLQTHUFBMSAO-SSDOTTSWSA-N 1 2 211.265 0.609 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000337470820 385676000 /nfs/dbraw/zinc/67/60/00/385676000.db2.gz VGAVEHOSHUQAQW-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000337470820 385676005 /nfs/dbraw/zinc/67/60/05/385676005.db2.gz VGAVEHOSHUQAQW-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CC/C(C)=C/C(=O)NCC[NH+]1CCOCC1 ZINC000253462263 385677126 /nfs/dbraw/zinc/67/71/26/385677126.db2.gz KCYNAKZLPKIUBB-ZHACJKMWSA-N 1 2 226.320 0.791 20 0 BCADLO CN(C)c1ccc(CNC(=O)NCCF)c[nH+]1 ZINC000281496428 385677533 /nfs/dbraw/zinc/67/75/33/385677533.db2.gz QKHDYQDAAZFSSQ-UHFFFAOYSA-N 1 2 240.282 0.916 20 0 BCADLO COC(=O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337469123 385677503 /nfs/dbraw/zinc/67/75/03/385677503.db2.gz OMHPHASBTCFRJO-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337469123 385677509 /nfs/dbraw/zinc/67/75/09/385677509.db2.gz OMHPHASBTCFRJO-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](C)CCO)c[nH+]1 ZINC000270158836 385677687 /nfs/dbraw/zinc/67/76/87/385677687.db2.gz YHOZZVQSLLRFJQ-SSDOTTSWSA-N 1 2 211.265 0.466 20 0 BCADLO CCN1CC[N@H+](CCOCC2CC2)[C@H](C)C1=O ZINC000495262322 385678382 /nfs/dbraw/zinc/67/83/82/385678382.db2.gz PBAAHTKQPITSBU-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[N@@H+](CCOCC2CC2)[C@H](C)C1=O ZINC000495262322 385678388 /nfs/dbraw/zinc/67/83/88/385678388.db2.gz PBAAHTKQPITSBU-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC1(C)C[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000337477716 385679927 /nfs/dbraw/zinc/67/99/27/385679927.db2.gz TWCUGFVRQXRRGX-QWRGUYRKSA-N 1 2 237.347 0.149 20 0 BCADLO Cn1c[nH+]cc1CNc1cccc(CO)n1 ZINC000309548021 385681883 /nfs/dbraw/zinc/68/18/83/385681883.db2.gz DXNABQKRHBDGCU-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO C[C@H](NCC(F)(F)CO)c1[nH+]ccn1C ZINC000184699926 385695809 /nfs/dbraw/zinc/69/58/09/385695809.db2.gz UMHQQIPDHCRQFE-ZETCQYMHSA-N 1 2 219.235 0.698 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H](C)CO)c[nH+]1 ZINC000270348163 385698376 /nfs/dbraw/zinc/69/83/76/385698376.db2.gz VTIRORDTWSFKAW-RQJHMYQMSA-N 1 2 211.265 0.465 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000408456866 385699452 /nfs/dbraw/zinc/69/94/52/385699452.db2.gz LXLACDNRWCTERZ-LDYMZIIASA-N 1 2 213.277 0.237 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000408456866 385699455 /nfs/dbraw/zinc/69/94/55/385699455.db2.gz LXLACDNRWCTERZ-LDYMZIIASA-N 1 2 213.277 0.237 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+](C)CCCO ZINC000281782490 385700869 /nfs/dbraw/zinc/70/08/69/385700869.db2.gz NGFXUDMBBKSXBK-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCO ZINC000281782490 385700873 /nfs/dbraw/zinc/70/08/73/385700873.db2.gz NGFXUDMBBKSXBK-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO COC[C@@H]([NH2+]CC(F)(F)CO)C(C)C ZINC000184711450 385703468 /nfs/dbraw/zinc/70/34/68/385703468.db2.gz PMXUGLPBTQEPHI-MRVPVSSYSA-N 1 2 211.252 0.875 20 0 BCADLO CC(C)c1nc(NC[C@@](C)(O)CO)cc[nH+]1 ZINC000309574043 385706541 /nfs/dbraw/zinc/70/65/41/385706541.db2.gz OKHYZZWZDOIXHR-LLVKDONJSA-N 1 2 225.292 0.755 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182833509 385710973 /nfs/dbraw/zinc/71/09/73/385710973.db2.gz CNVNSIKQMVUMGI-YPMHNXCESA-N 1 2 244.298 0.895 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182833509 385710976 /nfs/dbraw/zinc/71/09/76/385710976.db2.gz CNVNSIKQMVUMGI-YPMHNXCESA-N 1 2 244.298 0.895 20 0 BCADLO O=C1N[C@H]2CC[N@H+](Cc3ccon3)C[C@@H]2CO1 ZINC000281395205 385667365 /nfs/dbraw/zinc/66/73/65/385667365.db2.gz QAULDLAQFNBWMF-SCZZXKLOSA-N 1 2 237.259 0.605 20 0 BCADLO O=C1N[C@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2CO1 ZINC000281395205 385667370 /nfs/dbraw/zinc/66/73/70/385667370.db2.gz QAULDLAQFNBWMF-SCZZXKLOSA-N 1 2 237.259 0.605 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000408374482 385737918 /nfs/dbraw/zinc/73/79/18/385737918.db2.gz KXOJLKJZOPZYOV-SECBINFHSA-N 1 2 224.308 0.742 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000408374482 385737924 /nfs/dbraw/zinc/73/79/24/385737924.db2.gz KXOJLKJZOPZYOV-SECBINFHSA-N 1 2 224.308 0.742 20 0 BCADLO CCCCC(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365756298 385738846 /nfs/dbraw/zinc/73/88/46/385738846.db2.gz DHALVIXOUBZRMS-DTWKUNHWSA-N 1 2 228.292 0.196 20 0 BCADLO Cc1nc(C[N@H+](C)CCOCCO)oc1C ZINC000282259338 385748482 /nfs/dbraw/zinc/74/84/82/385748482.db2.gz CPSDHZKNXWYIFY-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO Cc1nc(C[N@@H+](C)CCOCCO)oc1C ZINC000282259338 385748486 /nfs/dbraw/zinc/74/84/86/385748486.db2.gz CPSDHZKNXWYIFY-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1CCn1cc[nH+]c1 ZINC000270843287 385750510 /nfs/dbraw/zinc/75/05/10/385750510.db2.gz GIRFCKKXSIRNNI-GDLVEWKHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000270843287 385750514 /nfs/dbraw/zinc/75/05/14/385750514.db2.gz GIRFCKKXSIRNNI-GDLVEWKHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1ccnc1 ZINC000270843287 385750519 /nfs/dbraw/zinc/75/05/19/385750519.db2.gz GIRFCKKXSIRNNI-GDLVEWKHSA-N 1 2 241.360 0.724 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000309673234 385786541 /nfs/dbraw/zinc/78/65/41/385786541.db2.gz WXYBAMOCADAJHP-GHMZBOCLSA-N 1 2 225.292 0.693 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305828128 385757459 /nfs/dbraw/zinc/75/74/59/385757459.db2.gz UDFACDYNBJWFEK-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305828128 385757462 /nfs/dbraw/zinc/75/74/62/385757462.db2.gz UDFACDYNBJWFEK-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccon1 ZINC000309663529 385774685 /nfs/dbraw/zinc/77/46/85/385774685.db2.gz SGGLGFBPHAVFLA-OIBJUYFYSA-N 1 2 228.248 0.249 20 0 BCADLO CC[C@@H]([NH2+]CC1(CC)COC1)C(=O)OC ZINC000393992697 385778452 /nfs/dbraw/zinc/77/84/52/385778452.db2.gz VEAJQRIVHVZTSA-SECBINFHSA-N 1 2 215.293 0.954 20 0 BCADLO Cc1nc(N2C[C@@H]3COC[C@H](C2)O3)cc[nH+]1 ZINC000337779455 385779000 /nfs/dbraw/zinc/77/90/00/385779000.db2.gz AFWCJMAFLQWUOV-AOOOYVTPSA-N 1 2 221.260 0.389 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282716483 385780946 /nfs/dbraw/zinc/78/09/46/385780946.db2.gz LSIDZBTYVQGINB-JTQLQIEISA-N 1 2 238.335 0.857 20 0 BCADLO Nc1cc(C[NH+]2CC(O)(C3CC3)C2)ccn1 ZINC000309591363 385720085 /nfs/dbraw/zinc/72/00/85/385720085.db2.gz ZMGSUBQHEQOEIH-UHFFFAOYSA-N 1 2 219.288 0.621 20 0 BCADLO CCc1nnc(C[N@H+](C)CC2(CO)CC2)[nH]1 ZINC000186827489 385802011 /nfs/dbraw/zinc/80/20/11/385802011.db2.gz CFJNFGPBXUVORC-UHFFFAOYSA-N 1 2 224.308 0.571 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC2(CO)CC2)[nH]1 ZINC000186827489 385802018 /nfs/dbraw/zinc/80/20/18/385802018.db2.gz CFJNFGPBXUVORC-UHFFFAOYSA-N 1 2 224.308 0.571 20 0 BCADLO CN(Cc1ccon1)c1[nH+]cnc2c1cnn2C ZINC000337868970 385811880 /nfs/dbraw/zinc/81/18/80/385811880.db2.gz MJVRHZWWZFHZAF-UHFFFAOYSA-N 1 2 244.258 0.988 20 0 BCADLO COC(=O)C[N@H+](CC1=CCCOC1)C1CC1 ZINC000271269080 385813575 /nfs/dbraw/zinc/81/35/75/385813575.db2.gz MRJZYZSAKJHUCJ-UHFFFAOYSA-N 1 2 225.288 0.971 20 0 BCADLO COC(=O)C[N@@H+](CC1=CCCOC1)C1CC1 ZINC000271269080 385813581 /nfs/dbraw/zinc/81/35/81/385813581.db2.gz MRJZYZSAKJHUCJ-UHFFFAOYSA-N 1 2 225.288 0.971 20 0 BCADLO COc1cc(CNc2nc(C)[nH+]c(N)n2)ccn1 ZINC000310990982 385815732 /nfs/dbraw/zinc/81/57/32/385815732.db2.gz ZUDBSEUFIJCGJP-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO COc1cc(CNc2nc(N)nc(C)[nH+]2)ccn1 ZINC000310990982 385815738 /nfs/dbraw/zinc/81/57/38/385815738.db2.gz ZUDBSEUFIJCGJP-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO Cc1nonc1C[N@H+](C)CCc1cnccn1 ZINC000271319696 385816391 /nfs/dbraw/zinc/81/63/91/385816391.db2.gz JRGRDRMMSIYBAV-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO Cc1nonc1C[N@@H+](C)CCc1cnccn1 ZINC000271319696 385816397 /nfs/dbraw/zinc/81/63/97/385816397.db2.gz JRGRDRMMSIYBAV-UHFFFAOYSA-N 1 2 233.275 0.843 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccncc1 ZINC000186966356 385819806 /nfs/dbraw/zinc/81/98/06/385819806.db2.gz BMSPXMVEZHGWPG-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccncc1 ZINC000186966356 385819811 /nfs/dbraw/zinc/81/98/11/385819811.db2.gz BMSPXMVEZHGWPG-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccnc1 ZINC000186989856 385822774 /nfs/dbraw/zinc/82/27/74/385822774.db2.gz HALFGEFNYAKBHS-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccnc1 ZINC000186989856 385822778 /nfs/dbraw/zinc/82/27/78/385822778.db2.gz HALFGEFNYAKBHS-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO Cc1c[nH+]ccc1NCc1n[nH]c(=O)[nH]1 ZINC000336737888 385824019 /nfs/dbraw/zinc/82/40/19/385824019.db2.gz QPRQGKJGKFDHCE-UHFFFAOYSA-N 1 2 205.221 0.248 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1CCn1cc[nH+]c1 ZINC000186995997 385824039 /nfs/dbraw/zinc/82/40/39/385824039.db2.gz NYAUSDIKKKECMN-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO CC[C@](C)([NH2+]CCCC(=O)OC)C(=O)OC ZINC000336737971 385826261 /nfs/dbraw/zinc/82/62/61/385826261.db2.gz NWPWMESNXFAXJA-NSHDSACASA-N 1 2 231.292 0.871 20 0 BCADLO COc1c(C)c[nH+]c(CN(C)C(=O)CO)c1C ZINC000283647911 385826429 /nfs/dbraw/zinc/82/64/29/385826429.db2.gz CROAIJJVOXEQMW-UHFFFAOYSA-N 1 2 238.287 0.658 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CCOC1)c1c[nH]c[nH+]1 ZINC000644836942 385847158 /nfs/dbraw/zinc/84/71/58/385847158.db2.gz XOUXZKMHZGBXQG-MRVPVSSYSA-N 1 2 223.276 0.592 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644837134 385847608 /nfs/dbraw/zinc/84/76/08/385847608.db2.gz IFIRQKODQKRWAE-URLYPYJESA-N 1 2 207.277 0.388 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644837134 385847610 /nfs/dbraw/zinc/84/76/10/385847610.db2.gz IFIRQKODQKRWAE-URLYPYJESA-N 1 2 207.277 0.388 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000294417882 385848326 /nfs/dbraw/zinc/84/83/26/385848326.db2.gz OIBDLXKODNHCBM-JGVFFNPUSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000294417882 385848329 /nfs/dbraw/zinc/84/83/29/385848329.db2.gz OIBDLXKODNHCBM-JGVFFNPUSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000294417889 385848601 /nfs/dbraw/zinc/84/86/01/385848601.db2.gz OIBDLXKODNHCBM-YUMQZZPRSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000294417889 385848607 /nfs/dbraw/zinc/84/86/07/385848607.db2.gz OIBDLXKODNHCBM-YUMQZZPRSA-N 1 2 226.280 0.062 20 0 BCADLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CCCF)n1 ZINC000408389989 385859237 /nfs/dbraw/zinc/85/92/37/385859237.db2.gz QCZQWKGBTMYVDB-RKDXNWHRSA-N 1 2 229.255 0.845 20 0 BCADLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2CCCF)n1 ZINC000408389989 385859242 /nfs/dbraw/zinc/85/92/42/385859242.db2.gz QCZQWKGBTMYVDB-RKDXNWHRSA-N 1 2 229.255 0.845 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000294024744 385788563 /nfs/dbraw/zinc/78/85/63/385788563.db2.gz VCOIEIRKGBCLRG-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000294024744 385788567 /nfs/dbraw/zinc/78/85/67/385788567.db2.gz VCOIEIRKGBCLRG-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H](C)CO ZINC000294053183 385795382 /nfs/dbraw/zinc/79/53/82/385795382.db2.gz ULVMZPYFUDAPIU-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@@H](C)O)cs1 ZINC000289968010 385795541 /nfs/dbraw/zinc/79/55/41/385795541.db2.gz WXMNOCGCSCITIJ-MRVPVSSYSA-N 1 2 230.333 0.627 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@@H](C)O)cs1 ZINC000289968010 385795547 /nfs/dbraw/zinc/79/55/47/385795547.db2.gz WXMNOCGCSCITIJ-MRVPVSSYSA-N 1 2 230.333 0.627 20 0 BCADLO Cc1c[nH]cc1C(=O)NCC[NH+]1CCOCC1 ZINC000338035414 385883583 /nfs/dbraw/zinc/88/35/83/385883583.db2.gz OAZRZPADEYCAHS-UHFFFAOYSA-N 1 2 237.303 0.385 20 0 BCADLO O=C1[C@@H]2CCCN2C(=O)N1CCCn1cc[nH+]c1 ZINC000272222752 385886456 /nfs/dbraw/zinc/88/64/56/385886456.db2.gz KOSSUYSPIHXEDZ-JTQLQIEISA-N 1 2 248.286 0.700 20 0 BCADLO Cc1nc(N2CC(C)(C(N)=O)C2)cc[nH+]1 ZINC000645292333 385887022 /nfs/dbraw/zinc/88/70/22/385887022.db2.gz QFSPQMCMLWOKKZ-UHFFFAOYSA-N 1 2 206.249 0.097 20 0 BCADLO c1[nH]nc2c1C[N@H+](CC1OCCO1)CC2 ZINC000272261159 385889354 /nfs/dbraw/zinc/88/93/54/385889354.db2.gz MUCMDSINEWIMSZ-UHFFFAOYSA-N 1 2 209.249 0.141 20 0 BCADLO c1[nH]nc2c1C[N@@H+](CC1OCCO1)CC2 ZINC000272261159 385889359 /nfs/dbraw/zinc/88/93/59/385889359.db2.gz MUCMDSINEWIMSZ-UHFFFAOYSA-N 1 2 209.249 0.141 20 0 BCADLO COc1c(O)cccc1C[N@H+](C)CC(N)=O ZINC000272307695 385892386 /nfs/dbraw/zinc/89/23/86/385892386.db2.gz QZQBYLRTTYQBKC-UHFFFAOYSA-N 1 2 224.260 0.318 20 0 BCADLO COc1c(O)cccc1C[N@@H+](C)CC(N)=O ZINC000272307695 385892388 /nfs/dbraw/zinc/89/23/88/385892388.db2.gz QZQBYLRTTYQBKC-UHFFFAOYSA-N 1 2 224.260 0.318 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338121072 385900081 /nfs/dbraw/zinc/90/00/81/385900081.db2.gz OYILVOKMUOQJAL-NKWVEPMBSA-N 1 2 229.230 0.938 20 0 BCADLO COc1nccnc1C[N@H+](C)[C@H]1CCOC1 ZINC000294832224 385902283 /nfs/dbraw/zinc/90/22/83/385902283.db2.gz NLTXJWNBVQBQJR-VIFPVBQESA-N 1 2 223.276 0.706 20 0 BCADLO COc1nccnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000294832224 385902287 /nfs/dbraw/zinc/90/22/87/385902287.db2.gz NLTXJWNBVQBQJR-VIFPVBQESA-N 1 2 223.276 0.706 20 0 BCADLO Cc1nc(N[C@@H](C)C[C@@H](C)O)nc(N)[nH+]1 ZINC000308867058 385902782 /nfs/dbraw/zinc/90/27/82/385902782.db2.gz LJUOFHNMKGLJMX-NTSWFWBYSA-N 1 2 211.269 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000308867058 385902786 /nfs/dbraw/zinc/90/27/86/385902786.db2.gz LJUOFHNMKGLJMX-NTSWFWBYSA-N 1 2 211.269 0.334 20 0 BCADLO CO[C@@H](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000308900511 385904116 /nfs/dbraw/zinc/90/41/16/385904116.db2.gz FAXINYCCRJICQZ-LURJTMIESA-N 1 2 211.269 0.599 20 0 BCADLO CO[C@@H](C)CCNc1nc(N)nc(C)[nH+]1 ZINC000308900511 385904118 /nfs/dbraw/zinc/90/41/18/385904118.db2.gz FAXINYCCRJICQZ-LURJTMIESA-N 1 2 211.269 0.599 20 0 BCADLO O=C1C[N@H+](CC[C@@H](O)c2ccccc2)CCN1 ZINC000285175258 385904774 /nfs/dbraw/zinc/90/47/74/385904774.db2.gz MMIDYQDCFMUXNL-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1C[N@@H+](CC[C@@H](O)c2ccccc2)CCN1 ZINC000285175258 385904778 /nfs/dbraw/zinc/90/47/78/385904778.db2.gz MMIDYQDCFMUXNL-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336767810 385929470 /nfs/dbraw/zinc/92/94/70/385929470.db2.gz SRZSFXJTSISISG-IWSPIJDZSA-N 1 2 212.297 0.889 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338164240 385905463 /nfs/dbraw/zinc/90/54/63/385905463.db2.gz XZEBZHKVZPMDJW-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO Cc1nc(NC[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000308907485 385908991 /nfs/dbraw/zinc/90/89/91/385908991.db2.gz VVMTYIROTKMKRV-ZETCQYMHSA-N 1 2 209.253 0.353 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCO2)[nH+]1 ZINC000308907485 385908996 /nfs/dbraw/zinc/90/89/96/385908996.db2.gz VVMTYIROTKMKRV-ZETCQYMHSA-N 1 2 209.253 0.353 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cnnn1C ZINC000272551342 385913232 /nfs/dbraw/zinc/91/32/32/385913232.db2.gz RIKVCFWXGMZXID-UHFFFAOYSA-N 1 2 239.323 0.293 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cnnn1C ZINC000272551342 385913235 /nfs/dbraw/zinc/91/32/35/385913235.db2.gz RIKVCFWXGMZXID-UHFFFAOYSA-N 1 2 239.323 0.293 20 0 BCADLO C[C@@H](C(=O)N(C)C)N(C)Cc1[nH+]ccn1C ZINC000272574275 385915119 /nfs/dbraw/zinc/91/51/19/385915119.db2.gz NMEBXPBMHJLFJQ-VIFPVBQESA-N 1 2 224.308 0.329 20 0 BCADLO C[C@@H]1OCC[C@@H]1[S@](=O)Cc1[nH+]ccn1C ZINC000338218737 385919032 /nfs/dbraw/zinc/91/90/32/385919032.db2.gz ALVSHNUACHMYPQ-KOSWAMCASA-N 1 2 228.317 0.846 20 0 BCADLO CCSCC[N@H+](CCOC)CC(=O)OC ZINC000119990118 385919715 /nfs/dbraw/zinc/91/97/15/385919715.db2.gz CCOVYDOAPNYHMP-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO CCSCC[N@@H+](CCOC)CC(=O)OC ZINC000119990118 385919721 /nfs/dbraw/zinc/91/97/21/385919721.db2.gz CCOVYDOAPNYHMP-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000338216438 385920195 /nfs/dbraw/zinc/92/01/95/385920195.db2.gz MZPDLGOMCDYDPG-VIFPVBQESA-N 1 2 242.319 0.491 20 0 BCADLO CCS(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000335032879 385921716 /nfs/dbraw/zinc/92/17/16/385921716.db2.gz QFNCPBCNZWLWKB-ZETCQYMHSA-N 1 2 242.291 0.171 20 0 BCADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCOC1 ZINC000272695628 385924354 /nfs/dbraw/zinc/92/43/54/385924354.db2.gz HLJVELODJMMVIX-NSHDSACASA-N 1 2 223.276 0.843 20 0 BCADLO CO[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338209392 385924875 /nfs/dbraw/zinc/92/48/75/385924875.db2.gz USYSIOMOJKSCQQ-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC1 ZINC000335036489 385925548 /nfs/dbraw/zinc/92/55/48/385925548.db2.gz FWLKPKDYNFJIRT-MRVPVSSYSA-N 1 2 233.262 0.647 20 0 BCADLO COC[C@H](C)CNc1nc(C)[nH+]c(N)n1 ZINC000308784744 385860903 /nfs/dbraw/zinc/86/09/03/385860903.db2.gz AOYANXDSZUOKEX-ZCFIWIBFSA-N 1 2 211.269 0.457 20 0 BCADLO COC[C@H](C)CNc1nc(N)nc(C)[nH+]1 ZINC000308784744 385860912 /nfs/dbraw/zinc/86/09/12/385860912.db2.gz AOYANXDSZUOKEX-ZCFIWIBFSA-N 1 2 211.269 0.457 20 0 BCADLO CCN(CCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284335294 385863436 /nfs/dbraw/zinc/86/34/36/385863436.db2.gz IZSJDCIDPYIYIX-SNAWJCMRSA-N 1 2 223.276 0.654 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000414586042 385865571 /nfs/dbraw/zinc/86/55/71/385865571.db2.gz OGFLFIQAVKMXQC-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000414586042 385865574 /nfs/dbraw/zinc/86/55/74/385865574.db2.gz OGFLFIQAVKMXQC-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284408449 385866295 /nfs/dbraw/zinc/86/62/95/385866295.db2.gz NSRBFPMHQOYMGB-ZJELKQJVSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284408445 385866919 /nfs/dbraw/zinc/86/69/19/385866919.db2.gz NSRBFPMHQOYMGB-WTSVBCDHSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000284440204 385869133 /nfs/dbraw/zinc/86/91/33/385869133.db2.gz QBUXWTKQDAXXFL-VUDBWIFFSA-N 1 2 221.260 0.718 20 0 BCADLO CN(CC(C)(C)O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284529000 385873171 /nfs/dbraw/zinc/87/31/71/385873171.db2.gz WOWWYJGCGGVRFU-SNAWJCMRSA-N 1 2 223.276 0.652 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000123255381 385873918 /nfs/dbraw/zinc/87/39/18/385873918.db2.gz RCEWZBSQFAAHSN-MRVPVSSYSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000123255381 385873922 /nfs/dbraw/zinc/87/39/22/385873922.db2.gz RCEWZBSQFAAHSN-MRVPVSSYSA-N 1 2 241.316 0.923 20 0 BCADLO FC1(C[N@@H+]2CCO[C@H]3CCOC[C@@H]32)CC1 ZINC000644841048 385874244 /nfs/dbraw/zinc/87/42/44/385874244.db2.gz MXFNHVOSJZOYFC-UWVGGRQHSA-N 1 2 215.268 0.978 20 0 BCADLO FC1(C[N@H+]2CCO[C@H]3CCOC[C@@H]32)CC1 ZINC000644841048 385874247 /nfs/dbraw/zinc/87/42/47/385874247.db2.gz MXFNHVOSJZOYFC-UWVGGRQHSA-N 1 2 215.268 0.978 20 0 BCADLO CCC[C@](C)([NH2+]CCC(=O)OC)C(=O)OC ZINC000336738420 385875529 /nfs/dbraw/zinc/87/55/29/385875529.db2.gz OFWVBIMGTGFQAJ-NSHDSACASA-N 1 2 231.292 0.871 20 0 BCADLO C[C@](O)(CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000647735852 385877940 /nfs/dbraw/zinc/87/79/40/385877940.db2.gz OXDMBQRTEWQUMX-ZDUSSCGKSA-N 1 2 249.314 0.846 20 0 BCADLO C[C@](O)(CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000647735852 385877944 /nfs/dbraw/zinc/87/79/44/385877944.db2.gz OXDMBQRTEWQUMX-ZDUSSCGKSA-N 1 2 249.314 0.846 20 0 BCADLO CC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636886919 385880261 /nfs/dbraw/zinc/88/02/61/385880261.db2.gz PBSIPFAFYPUDFP-VIFPVBQESA-N 1 2 234.303 0.907 20 0 BCADLO CC1CC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636881367 385880447 /nfs/dbraw/zinc/88/04/47/385880447.db2.gz BICOPZWXFRYKIO-RTBKNWGFSA-N 1 2 234.303 0.906 20 0 BCADLO c1cncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371259 385981308 /nfs/dbraw/zinc/98/13/08/385981308.db2.gz YZFOSIGGLQMEDK-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO c1cncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371259 385981314 /nfs/dbraw/zinc/98/13/14/385981314.db2.gz YZFOSIGGLQMEDK-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338372840 385981624 /nfs/dbraw/zinc/98/16/24/385981624.db2.gz WAGIGZYGJKGMBG-AOOOYVTPSA-N 1 2 223.276 0.020 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CC[C@H](C)O)no1 ZINC000425413192 385982396 /nfs/dbraw/zinc/98/23/96/385982396.db2.gz GLQNZIPLRGDJTH-ZETCQYMHSA-N 1 2 213.281 0.974 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378054 385984159 /nfs/dbraw/zinc/98/41/59/385984159.db2.gz DNPJNPWIHKSLJZ-LPEHRKFASA-N 1 2 203.257 0.834 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378054 385984164 /nfs/dbraw/zinc/98/41/64/385984164.db2.gz DNPJNPWIHKSLJZ-LPEHRKFASA-N 1 2 203.257 0.834 20 0 BCADLO CN(C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000334341873 385987938 /nfs/dbraw/zinc/98/79/38/385987938.db2.gz JRKPXTXKVHKRBU-PHIMTYICSA-N 1 2 224.304 0.470 20 0 BCADLO CN(C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000334341873 385987945 /nfs/dbraw/zinc/98/79/45/385987945.db2.gz JRKPXTXKVHKRBU-PHIMTYICSA-N 1 2 224.304 0.470 20 0 BCADLO Cn1ncn(Cc2[nH+]cc(Cl)n2C)c1=O ZINC000272758273 385930927 /nfs/dbraw/zinc/93/09/27/385930927.db2.gz OKGJOZCALGJGMF-UHFFFAOYSA-N 1 2 227.655 0.017 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](O)C2)s1 ZINC000338269696 385934727 /nfs/dbraw/zinc/93/47/27/385934727.db2.gz COCQEWITTUMVTN-SVRRBLITSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](O)C2)s1 ZINC000338269696 385934733 /nfs/dbraw/zinc/93/47/33/385934733.db2.gz COCQEWITTUMVTN-SVRRBLITSA-N 1 2 213.306 0.974 20 0 BCADLO CO[C@H](C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000425393976 385942408 /nfs/dbraw/zinc/94/24/08/385942408.db2.gz KHHDGQCMADFYFG-SNVBAGLBSA-N 1 2 222.292 0.519 20 0 BCADLO CO[C@H](C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000425393976 385942419 /nfs/dbraw/zinc/94/24/19/385942419.db2.gz KHHDGQCMADFYFG-SNVBAGLBSA-N 1 2 222.292 0.519 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nncn1C1CC1 ZINC000285580295 385944747 /nfs/dbraw/zinc/94/47/47/385944747.db2.gz ASEFWQXCNOPMGT-DAFODLJHSA-N 1 2 244.258 0.988 20 0 BCADLO CC(C)c1nc(N2C[C@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000408396565 385945279 /nfs/dbraw/zinc/94/52/79/385945279.db2.gz ZNWRLBPLCFFQMB-IUCAKERBSA-N 1 2 223.276 0.142 20 0 BCADLO COC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285678114 385954637 /nfs/dbraw/zinc/95/46/37/385954637.db2.gz QTTKGVFIQYJHDQ-UHFFFAOYSA-N 1 2 235.287 0.682 20 0 BCADLO COC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285678114 385954646 /nfs/dbraw/zinc/95/46/46/385954646.db2.gz QTTKGVFIQYJHDQ-UHFFFAOYSA-N 1 2 235.287 0.682 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297030 385957770 /nfs/dbraw/zinc/95/77/70/385957770.db2.gz VWTVGETVFQCGFH-LLVKDONJSA-N 1 2 249.314 0.600 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000338297886 385960911 /nfs/dbraw/zinc/96/09/11/385960911.db2.gz YZAAQQMAZGDGQD-NWDGAFQWSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000338297886 385960916 /nfs/dbraw/zinc/96/09/16/385960916.db2.gz YZAAQQMAZGDGQD-NWDGAFQWSA-N 1 2 239.315 0.845 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000161400862 385973333 /nfs/dbraw/zinc/97/33/33/385973333.db2.gz ZAUOVSFUYHPLLB-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO Cn1nncc1C[N@H+](C)Cc1ccncc1 ZINC000273408214 385998201 /nfs/dbraw/zinc/99/82/01/385998201.db2.gz NXVKTVOZDVYZKA-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nncc1C[N@@H+](C)Cc1ccncc1 ZINC000273408214 385998205 /nfs/dbraw/zinc/99/82/05/385998205.db2.gz NXVKTVOZDVYZKA-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO O=C1N=NC(C[N@@H+]2CC[C@@]3(CCOC3)C2)S1 ZINC000365286384 386006925 /nfs/dbraw/zinc/00/69/25/386006925.db2.gz DHMHECQDCJSKFO-SNVBAGLBSA-N 1 2 241.316 0.856 20 0 BCADLO O=C1N=NC(C[N@H+]2CC[C@@]3(CCOC3)C2)S1 ZINC000365286384 386006928 /nfs/dbraw/zinc/00/69/28/386006928.db2.gz DHMHECQDCJSKFO-SNVBAGLBSA-N 1 2 241.316 0.856 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1(O)CCC1 ZINC000128745068 386008097 /nfs/dbraw/zinc/00/80/97/386008097.db2.gz LMCJIIPONFZTQX-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO C[C@H](CCO)Nc1nc[nH+]c2c1OCCN2 ZINC000647869115 386012931 /nfs/dbraw/zinc/01/29/31/386012931.db2.gz YNADLDDUAZPSHS-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BCADLO C[C@H](CCO)Nc1[nH+]cnc2c1OCCN2 ZINC000647869115 386012936 /nfs/dbraw/zinc/01/29/36/386012936.db2.gz YNADLDDUAZPSHS-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BCADLO O=C(C1CCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366039108 386018823 /nfs/dbraw/zinc/01/88/23/386018823.db2.gz CTJNPSKWZLWMPE-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO CSCCC[N@H+](C)Cc1cnn[nH]1 ZINC000295376653 386021026 /nfs/dbraw/zinc/02/10/26/386021026.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@@H+](C)Cc1cnn[nH]1 ZINC000295376653 386021032 /nfs/dbraw/zinc/02/10/32/386021032.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@H+](C)Cc1c[nH]nn1 ZINC000295376653 386021034 /nfs/dbraw/zinc/02/10/34/386021034.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@@H+](C)Cc1c[nH]nn1 ZINC000295376653 386021042 /nfs/dbraw/zinc/02/10/42/386021042.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@H+](C)Cc1cn[nH]n1 ZINC000295376653 386021045 /nfs/dbraw/zinc/02/10/45/386021045.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@@H+](C)Cc1cn[nH]n1 ZINC000295376653 386021052 /nfs/dbraw/zinc/02/10/52/386021052.db2.gz PTBGUMQAKYQHDV-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000286292133 386021198 /nfs/dbraw/zinc/02/11/98/386021198.db2.gz GXDVSPFCLVNCMM-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO CC(C)n1ccnc1C[N@H+](C)CCC(N)=O ZINC000286309865 386023822 /nfs/dbraw/zinc/02/38/22/386023822.db2.gz DUSWYTQGESOCPI-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO CC(C)n1ccnc1C[N@@H+](C)CCC(N)=O ZINC000286309865 386023828 /nfs/dbraw/zinc/02/38/28/386023828.db2.gz DUSWYTQGESOCPI-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](O)C(F)F ZINC000295409771 386026012 /nfs/dbraw/zinc/02/60/12/386026012.db2.gz HUQUPOKVXCRPOW-SVRRBLITSA-N 1 2 247.245 0.853 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](C)CCCO)c[nH+]1 ZINC000295394899 386026850 /nfs/dbraw/zinc/02/68/50/386026850.db2.gz JKAFEVVUBNPZTG-MRVPVSSYSA-N 1 2 225.292 0.857 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227109 386031281 /nfs/dbraw/zinc/03/12/81/386031281.db2.gz YCXWDVYTNFCCPF-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227109 386031286 /nfs/dbraw/zinc/03/12/86/386031286.db2.gz YCXWDVYTNFCCPF-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO Cc1cnn(CCC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000345169365 386038290 /nfs/dbraw/zinc/03/82/90/386038290.db2.gz PRLFRYYSWALFKU-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124411281 386045128 /nfs/dbraw/zinc/04/51/28/386045128.db2.gz ZRMLAAMPVDNCLR-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000124411281 386045134 /nfs/dbraw/zinc/04/51/34/386045134.db2.gz ZRMLAAMPVDNCLR-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO CC(C)CCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000112829095 386103693 /nfs/dbraw/zinc/10/36/93/386103693.db2.gz VOWQVDKQGKGGPS-UHFFFAOYSA-N 1 2 234.365 0.610 20 0 BCADLO COc1ccncc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000287218768 386104963 /nfs/dbraw/zinc/10/49/63/386104963.db2.gz IZEORMMEJKSURQ-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccncc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000287218768 386104969 /nfs/dbraw/zinc/10/49/69/386104969.db2.gz IZEORMMEJKSURQ-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC=C(C)CC2)C1=O ZINC000647968963 386113087 /nfs/dbraw/zinc/11/30/87/386113087.db2.gz DXIQPBGWZLKLAQ-JTQLQIEISA-N 1 2 210.277 0.801 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC=C(C)CC2)C1=O ZINC000647968963 386113091 /nfs/dbraw/zinc/11/30/91/386113091.db2.gz DXIQPBGWZLKLAQ-JTQLQIEISA-N 1 2 210.277 0.801 20 0 BCADLO COC[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287342860 386113375 /nfs/dbraw/zinc/11/33/75/386113375.db2.gz WXLPBCGOBUMDSU-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@@H]2F)c1 ZINC000424891342 386116954 /nfs/dbraw/zinc/11/69/54/386116954.db2.gz JPMXCJYKSIWAMC-ONGXEEELSA-N 1 2 225.267 0.827 20 0 BCADLO COC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451617393 386119880 /nfs/dbraw/zinc/11/98/80/386119880.db2.gz XUSTXGMZVABUKH-PWSUYJOCSA-N 1 2 227.304 0.546 20 0 BCADLO COC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000224040695 386121561 /nfs/dbraw/zinc/12/15/61/386121561.db2.gz BYUBVWWDESTTAD-SECBINFHSA-N 1 2 225.292 0.813 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000338569840 386061196 /nfs/dbraw/zinc/06/11/96/386061196.db2.gz WZQCTFHYFHNSNH-UHFFFAOYSA-N 1 2 232.291 0.139 20 0 BCADLO Cn1nccc1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000338569840 386061200 /nfs/dbraw/zinc/06/12/00/386061200.db2.gz WZQCTFHYFHNSNH-UHFFFAOYSA-N 1 2 232.291 0.139 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587602 386062439 /nfs/dbraw/zinc/06/24/39/386062439.db2.gz KBLOOMNNDLWBEE-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587602 386062446 /nfs/dbraw/zinc/06/24/46/386062446.db2.gz KBLOOMNNDLWBEE-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO Cc1nc(N2CCN3C(=O)CC[C@@H]3C2)cc[nH+]1 ZINC000345166470 386063834 /nfs/dbraw/zinc/06/38/34/386063834.db2.gz CRLXZDPPUVEARZ-SNVBAGLBSA-N 1 2 232.287 0.596 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587600 386064376 /nfs/dbraw/zinc/06/43/76/386064376.db2.gz KBLOOMNNDLWBEE-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587600 386064379 /nfs/dbraw/zinc/06/43/79/386064379.db2.gz KBLOOMNNDLWBEE-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO Cc1cc(C)n(CC[N@@H+](C)Cc2nncn2C)n1 ZINC000286704619 386069794 /nfs/dbraw/zinc/06/97/94/386069794.db2.gz FAWXKMOYIFAHST-UHFFFAOYSA-N 1 2 248.334 0.760 20 0 BCADLO Cc1cc(C)n(CC[N@H+](C)Cc2nncn2C)n1 ZINC000286704619 386069796 /nfs/dbraw/zinc/06/97/96/386069796.db2.gz FAWXKMOYIFAHST-UHFFFAOYSA-N 1 2 248.334 0.760 20 0 BCADLO O=C(C[NH2+]Cc1cocn1)NCC1CC1 ZINC000336728384 386071174 /nfs/dbraw/zinc/07/11/74/386071174.db2.gz ICVVHLPOLUQBPR-UHFFFAOYSA-N 1 2 209.249 0.290 20 0 BCADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)N1CCCC1 ZINC000335060025 386072597 /nfs/dbraw/zinc/07/25/97/386072597.db2.gz WPUCJZKPGWYWTQ-NSHDSACASA-N 1 2 230.283 0.015 20 0 BCADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)N1CCCC1 ZINC000335060025 386072604 /nfs/dbraw/zinc/07/26/04/386072604.db2.gz WPUCJZKPGWYWTQ-NSHDSACASA-N 1 2 230.283 0.015 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000189709983 386073257 /nfs/dbraw/zinc/07/32/57/386073257.db2.gz JVSFJCPWVDCIGX-JTQLQIEISA-N 1 2 225.292 0.647 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000189709983 386073266 /nfs/dbraw/zinc/07/32/66/386073266.db2.gz JVSFJCPWVDCIGX-JTQLQIEISA-N 1 2 225.292 0.647 20 0 BCADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)NC1CCCC1 ZINC000338622035 386075307 /nfs/dbraw/zinc/07/53/07/386075307.db2.gz AJTHVQYKAZSODD-LBPRGKRZSA-N 1 2 244.310 0.452 20 0 BCADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)NC1CCCC1 ZINC000338622035 386075313 /nfs/dbraw/zinc/07/53/13/386075313.db2.gz AJTHVQYKAZSODD-LBPRGKRZSA-N 1 2 244.310 0.452 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@@](F)(CO)C1 ZINC000338627500 386083127 /nfs/dbraw/zinc/08/31/27/386083127.db2.gz SEHBAOJYQOSAQV-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO COC1(CC(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000234605807 386083737 /nfs/dbraw/zinc/08/37/37/386083737.db2.gz KPTCOUQOHISKRH-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189738561 386085996 /nfs/dbraw/zinc/08/59/96/386085996.db2.gz SDWAACUVBWACBB-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189738561 386085999 /nfs/dbraw/zinc/08/59/99/386085999.db2.gz SDWAACUVBWACBB-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCn1cc[nH+]c1CN1CCN2C(=O)CC[C@H]2C1 ZINC000334448229 386095444 /nfs/dbraw/zinc/09/54/44/386095444.db2.gz NQFNZOHTTWWHGK-NSHDSACASA-N 1 2 248.330 0.710 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000335979380 386096005 /nfs/dbraw/zinc/09/60/05/386096005.db2.gz AHNNJNGTDLCOGI-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)CCC(N)=O ZINC000287155494 386097938 /nfs/dbraw/zinc/09/79/38/386097938.db2.gz QOVDKBBRHZMWPR-UHFFFAOYSA-N 1 2 236.275 0.729 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(O)CCC1 ZINC000274747347 386144892 /nfs/dbraw/zinc/14/48/92/386144892.db2.gz OQPSZBMJLZRBLR-VIFPVBQESA-N 1 2 223.276 0.303 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190079699 386146723 /nfs/dbraw/zinc/14/67/23/386146723.db2.gz GTINVWNNDMOGOT-SECBINFHSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190079699 386146726 /nfs/dbraw/zinc/14/67/26/386146726.db2.gz GTINVWNNDMOGOT-SECBINFHSA-N 1 2 222.292 0.381 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000440776043 386147223 /nfs/dbraw/zinc/14/72/23/386147223.db2.gz PJWCDJPYXLSPBC-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@@H]1CC ZINC000440776043 386147225 /nfs/dbraw/zinc/14/72/25/386147225.db2.gz PJWCDJPYXLSPBC-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO Cc1ccc([C@@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000296206820 386151449 /nfs/dbraw/zinc/15/14/49/386151449.db2.gz NCHVJUFMSOXZJL-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccc([C@@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000296206820 386151453 /nfs/dbraw/zinc/15/14/53/386151453.db2.gz NCHVJUFMSOXZJL-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000414368893 386155590 /nfs/dbraw/zinc/15/55/90/386155590.db2.gz HWPKRUQKDOCVAA-LLVKDONJSA-N 1 2 248.330 0.879 20 0 BCADLO CCc1ncc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000414368893 386155595 /nfs/dbraw/zinc/15/55/95/386155595.db2.gz HWPKRUQKDOCVAA-LLVKDONJSA-N 1 2 248.330 0.879 20 0 BCADLO O=C(CCn1ccnc1)NCCCn1cc[nH+]c1 ZINC000263640699 386161564 /nfs/dbraw/zinc/16/15/64/386161564.db2.gz AOAFMAZQISEWQC-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCCn1ccnc1 ZINC000263640699 386161567 /nfs/dbraw/zinc/16/15/67/386161567.db2.gz AOAFMAZQISEWQC-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)CCN1CCO ZINC000190243116 386164355 /nfs/dbraw/zinc/16/43/55/386164355.db2.gz ZHJMLKBCAXJEFZ-GFCCVEGCSA-N 1 2 237.347 0.524 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CCN1CCO ZINC000190243116 386164361 /nfs/dbraw/zinc/16/43/61/386164361.db2.gz ZHJMLKBCAXJEFZ-GFCCVEGCSA-N 1 2 237.347 0.524 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000296330723 386164358 /nfs/dbraw/zinc/16/43/58/386164358.db2.gz USVICWJUYYAYSX-SNVBAGLBSA-N 1 2 236.319 0.320 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000296330723 386164364 /nfs/dbraw/zinc/16/43/64/386164364.db2.gz USVICWJUYYAYSX-SNVBAGLBSA-N 1 2 236.319 0.320 20 0 BCADLO CC(C)(C)[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288366973 386190388 /nfs/dbraw/zinc/19/03/88/386190388.db2.gz KSXORKMLNKXRAB-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631237661 386167064 /nfs/dbraw/zinc/16/70/64/386167064.db2.gz AKRKYHWRKOYUKY-HRDYMLBCSA-N 1 2 223.276 0.839 20 0 BCADLO Cc1nc(N(C)Cc2ccncc2)nc(N)[nH+]1 ZINC000310246938 386168509 /nfs/dbraw/zinc/16/85/09/386168509.db2.gz NCNNXCURYVKEPY-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2ccncc2)[nH+]1 ZINC000310246938 386168514 /nfs/dbraw/zinc/16/85/14/386168514.db2.gz NCNNXCURYVKEPY-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccncn1 ZINC000275103227 386180180 /nfs/dbraw/zinc/18/01/80/386180180.db2.gz FPNHRXOXWARUCL-SECBINFHSA-N 1 2 231.259 0.492 20 0 BCADLO CC(C)=CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000263861837 386184638 /nfs/dbraw/zinc/18/46/38/386184638.db2.gz JTJQQJYGCZDYQK-UHFFFAOYSA-N 1 2 226.320 0.743 20 0 BCADLO CO[C@@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263878139 386186506 /nfs/dbraw/zinc/18/65/06/386186506.db2.gz WEAOIOJMHRAKEY-VIFPVBQESA-N 1 2 237.303 0.871 20 0 BCADLO Cc1[nH]ncc1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000287610205 386138063 /nfs/dbraw/zinc/13/80/63/386138063.db2.gz PCOIZHARTFHJGU-QMMMGPOBSA-N 1 2 239.323 0.467 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCC(C)(C)O ZINC000274744591 386143815 /nfs/dbraw/zinc/14/38/15/386143815.db2.gz GKDDMMGSFGOLFM-UHFFFAOYSA-N 1 2 240.307 0.380 20 0 BCADLO COC[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264018097 386202389 /nfs/dbraw/zinc/20/23/89/386202389.db2.gz FXWDYOYLNNBCJG-ZJUUUORDSA-N 1 2 225.292 0.670 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOC1CCC1 ZINC000347060541 386209018 /nfs/dbraw/zinc/20/90/18/386209018.db2.gz SISBGDUROPGIII-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOC1CCC1 ZINC000347060541 386209023 /nfs/dbraw/zinc/20/90/23/386209023.db2.gz SISBGDUROPGIII-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO COC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340284194 386210858 /nfs/dbraw/zinc/21/08/58/386210858.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340284194 386210863 /nfs/dbraw/zinc/21/08/63/386210863.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340284194 386210867 /nfs/dbraw/zinc/21/08/67/386210867.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340284194 386210871 /nfs/dbraw/zinc/21/08/71/386210871.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340284194 386210880 /nfs/dbraw/zinc/21/08/80/386210880.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCOC1 ZINC000264185842 386214992 /nfs/dbraw/zinc/21/49/92/386214992.db2.gz ABJGGPIVUVPEJE-VIFPVBQESA-N 1 2 223.276 0.463 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC000296980669 386215099 /nfs/dbraw/zinc/21/50/99/386215099.db2.gz FINASUNGTYJIFQ-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCOC1 ZINC000288608871 386219165 /nfs/dbraw/zinc/21/91/65/386219165.db2.gz NCZSCENVRBQCOP-JTQLQIEISA-N 1 2 223.276 0.568 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COC1CCCC1 ZINC000264268520 386222897 /nfs/dbraw/zinc/22/28/97/386222897.db2.gz FRGYREBONJIRGG-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO CO[C@@H](CC(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000416121931 386227804 /nfs/dbraw/zinc/22/78/04/386227804.db2.gz MCZGIWRYRJNLCO-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000132570530 386244304 /nfs/dbraw/zinc/24/43/04/386244304.db2.gz VZCQNQHZSLUESH-ANRSDYALSA-N 1 2 229.349 0.965 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(CO)cc1 ZINC000187037376 386247300 /nfs/dbraw/zinc/24/73/00/386247300.db2.gz XTLDSJQPVPLAGV-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC000187037376 386247306 /nfs/dbraw/zinc/24/73/06/386247306.db2.gz XTLDSJQPVPLAGV-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC[C@H](C)O)nc1 ZINC000336643430 386248578 /nfs/dbraw/zinc/24/85/78/386248578.db2.gz CFQFRNULQNDVLW-JTQLQIEISA-N 1 2 209.293 0.988 20 0 BCADLO Cc1cnc(C[N@H+](C)CC[C@H](C)O)nc1 ZINC000336643430 386248585 /nfs/dbraw/zinc/24/85/85/386248585.db2.gz CFQFRNULQNDVLW-JTQLQIEISA-N 1 2 209.293 0.988 20 0 BCADLO CCC1(O)CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000346292566 386192420 /nfs/dbraw/zinc/19/24/20/386192420.db2.gz IXMXHHSBVRKHLR-SECBINFHSA-N 1 2 239.323 0.508 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000340279446 386192837 /nfs/dbraw/zinc/19/28/37/386192837.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 1 2 208.265 0.417 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000340279446 386192840 /nfs/dbraw/zinc/19/28/40/386192840.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 1 2 208.265 0.417 20 0 BCADLO c1[nH]nnc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000340279446 386192848 /nfs/dbraw/zinc/19/28/48/386192848.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 1 2 208.265 0.417 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000340279446 386192854 /nfs/dbraw/zinc/19/28/54/386192854.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 1 2 208.265 0.417 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000340279446 386192857 /nfs/dbraw/zinc/19/28/57/386192857.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 1 2 208.265 0.417 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCCCC1)[C@H](C)O ZINC000191024013 386199561 /nfs/dbraw/zinc/19/95/61/386199561.db2.gz PNNHKXGHZBTMMC-WCBMZHEXSA-N 1 2 215.293 0.831 20 0 BCADLO COC[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264880973 386280814 /nfs/dbraw/zinc/28/08/14/386280814.db2.gz SVPXVBTWJMBCRE-ZETCQYMHSA-N 1 2 211.265 0.730 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347202377 386281341 /nfs/dbraw/zinc/28/13/41/386281341.db2.gz FAERAPQYZSEYAP-VHSXEESVSA-N 1 2 238.335 0.969 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347202377 386281345 /nfs/dbraw/zinc/28/13/45/386281345.db2.gz FAERAPQYZSEYAP-VHSXEESVSA-N 1 2 238.335 0.969 20 0 BCADLO CCOC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339168561 386281545 /nfs/dbraw/zinc/28/15/45/386281545.db2.gz WUKWYCUXXBSCQN-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO Cn1ncc(C[N@H+](C)CCCn2ccnc2)n1 ZINC000289321374 386284007 /nfs/dbraw/zinc/28/40/07/386284007.db2.gz GFOPBHVMHLVVKI-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000289321374 386284009 /nfs/dbraw/zinc/28/40/09/386284009.db2.gz GFOPBHVMHLVVKI-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO CN(CCCn1cc[nH+]c1)Cc1cnn(C)n1 ZINC000289321374 386284011 /nfs/dbraw/zinc/28/40/11/386284011.db2.gz GFOPBHVMHLVVKI-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292679460 386324345 /nfs/dbraw/zinc/32/43/45/386324345.db2.gz MTTAHEOIFUJXBX-MNOVXSKESA-N 1 2 225.292 0.348 20 0 BCADLO O=S(=O)(C1COC1)N1CCc2c[nH+]ccc21 ZINC000276226466 386287680 /nfs/dbraw/zinc/28/76/80/386287680.db2.gz ACSWNKSOSJOUSC-UHFFFAOYSA-N 1 2 240.284 0.173 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)nc1 ZINC000336664220 386287958 /nfs/dbraw/zinc/28/79/58/386287958.db2.gz ZQNGQBXYJVWBAD-WDEREUQCSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)nc1 ZINC000336664220 386287961 /nfs/dbraw/zinc/28/79/61/386287961.db2.gz ZQNGQBXYJVWBAD-WDEREUQCSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](CO)C2)c[nH+]1 ZINC000298321616 386324496 /nfs/dbraw/zinc/32/44/96/386324496.db2.gz NIZWDYZUKTZVMA-VHSXEESVSA-N 1 2 237.303 0.999 20 0 BCADLO Cn1cncc1C(=O)NCCn1cc[nH+]c1 ZINC000289358816 386289961 /nfs/dbraw/zinc/28/99/61/386289961.db2.gz YJXJAUUGEAEHHW-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO Cn1cc(C[N@@H+]2CCSC[C@H]2CCO)nn1 ZINC000336668566 386292978 /nfs/dbraw/zinc/29/29/78/386292978.db2.gz PFNUPSHEOAOBBV-SNVBAGLBSA-N 1 2 242.348 0.115 20 0 BCADLO Cn1cc(C[N@H+]2CCSC[C@H]2CCO)nn1 ZINC000336668566 386292985 /nfs/dbraw/zinc/29/29/85/386292985.db2.gz PFNUPSHEOAOBBV-SNVBAGLBSA-N 1 2 242.348 0.115 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200293 386293189 /nfs/dbraw/zinc/29/31/89/386293189.db2.gz LOQQBEYIUSBFPW-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200293 386293194 /nfs/dbraw/zinc/29/31/94/386293194.db2.gz LOQQBEYIUSBFPW-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO COC(=O)C[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000289381947 386293469 /nfs/dbraw/zinc/29/34/69/386293469.db2.gz MNLYLQDTQBLQQZ-MRVPVSSYSA-N 1 2 239.275 0.615 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000265060386 386301956 /nfs/dbraw/zinc/30/19/56/386301956.db2.gz SLYWUBYKXJCJPK-JTQLQIEISA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000265060386 386301960 /nfs/dbraw/zinc/30/19/60/386301960.db2.gz SLYWUBYKXJCJPK-JTQLQIEISA-N 1 2 238.291 0.431 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2nnnn2C)CCO1 ZINC000188209645 386306492 /nfs/dbraw/zinc/30/64/92/386306492.db2.gz IDRGHHVHLDHJJI-MRVPVSSYSA-N 1 2 243.336 0.023 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2nnnn2C)CCO1 ZINC000188209645 386306496 /nfs/dbraw/zinc/30/64/96/386306496.db2.gz IDRGHHVHLDHJJI-MRVPVSSYSA-N 1 2 243.336 0.023 20 0 BCADLO CCC[C@@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000265147913 386309924 /nfs/dbraw/zinc/30/99/24/386309924.db2.gz PCEJHSUKNHZLDH-SECBINFHSA-N 1 2 240.307 0.380 20 0 BCADLO C[C@H](O)CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298242539 386311447 /nfs/dbraw/zinc/31/14/47/386311447.db2.gz MAHNPBCISRRJOY-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](O)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298242539 386311451 /nfs/dbraw/zinc/31/14/51/386311451.db2.gz MAHNPBCISRRJOY-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)CCC(C)(C)O ZINC000347273011 386313755 /nfs/dbraw/zinc/31/37/55/386313755.db2.gz XUQPWQJJHFNOPC-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)CCC(C)(C)O ZINC000347273011 386313761 /nfs/dbraw/zinc/31/37/61/386313761.db2.gz XUQPWQJJHFNOPC-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000236816753 386314528 /nfs/dbraw/zinc/31/45/28/386314528.db2.gz UIOUKGAKNWYIQV-JTQLQIEISA-N 1 2 248.286 0.613 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2ncnn2C)[C@H](C)C1 ZINC000336670744 386316696 /nfs/dbraw/zinc/31/66/96/386316696.db2.gz WILKKAGHXQYOKD-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2ncnn2C)[C@H](C)C1 ZINC000336670744 386316698 /nfs/dbraw/zinc/31/66/98/386316698.db2.gz WILKKAGHXQYOKD-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2csnn2)[C@@H]1C ZINC000347281857 386317757 /nfs/dbraw/zinc/31/77/57/386317757.db2.gz WGWRLOLXPXKEHY-VXNVDRBHSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csnn2)[C@@H]1C ZINC000347281857 386317764 /nfs/dbraw/zinc/31/77/64/386317764.db2.gz WGWRLOLXPXKEHY-VXNVDRBHSA-N 1 2 241.316 0.922 20 0 BCADLO C[C@@H](O)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265236078 386320947 /nfs/dbraw/zinc/32/09/47/386320947.db2.gz VTDIMTDWRVSVAZ-VHSXEESVSA-N 1 2 240.307 0.342 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000289518648 386321034 /nfs/dbraw/zinc/32/10/34/386321034.db2.gz AZINWIWEGWYBLU-CBAPKCEASA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000289518648 386321038 /nfs/dbraw/zinc/32/10/38/386321038.db2.gz AZINWIWEGWYBLU-CBAPKCEASA-N 1 2 239.275 0.934 20 0 BCADLO CC(C)c1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000232772253 386265558 /nfs/dbraw/zinc/26/55/58/386265558.db2.gz APYNULNYIBWCDY-NXEZZACHSA-N 1 2 242.344 0.804 20 0 BCADLO CCN1CC[N@H+](CCOC2CCC2)CC1=O ZINC000347167782 386267503 /nfs/dbraw/zinc/26/75/03/386267503.db2.gz NEDFAYIHBPKFCI-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CCN1CC[N@@H+](CCOC2CCC2)CC1=O ZINC000347167782 386267507 /nfs/dbraw/zinc/26/75/07/386267507.db2.gz NEDFAYIHBPKFCI-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1cc[nH]n1 ZINC000336652965 386270223 /nfs/dbraw/zinc/27/02/23/386270223.db2.gz XHWNGHZRUGWGSU-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1cc[nH]n1 ZINC000336652965 386270225 /nfs/dbraw/zinc/27/02/25/386270225.db2.gz XHWNGHZRUGWGSU-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cnn(C)c2)c[nH+]1 ZINC000264819055 386273592 /nfs/dbraw/zinc/27/35/92/386273592.db2.gz HCDMXFCKNPUAIF-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCOC[C@@H]1C ZINC000289216716 386274899 /nfs/dbraw/zinc/27/48/99/386274899.db2.gz XDBGFTUVDYRFAF-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC000289216716 386274903 /nfs/dbraw/zinc/27/49/03/386274903.db2.gz XDBGFTUVDYRFAF-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC(F)F ZINC000339172862 386278409 /nfs/dbraw/zinc/27/84/09/386278409.db2.gz BIFPJFISQIWEHM-UHFFFAOYSA-N 1 2 217.219 0.734 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](C3CC3)CC2)[nH]1 ZINC000264876846 386278724 /nfs/dbraw/zinc/27/87/24/386278724.db2.gz SCJYXFWMGDDYOJ-UHFFFAOYSA-N 1 2 234.303 0.638 20 0 BCADLO CCOCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC000297785397 386279038 /nfs/dbraw/zinc/27/90/38/386279038.db2.gz WNECUCPGNIHJBM-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO CO[C@H]1C[NH+](Cc2ccn(C)n2)C[C@@H]1OC ZINC000336661769 386279401 /nfs/dbraw/zinc/27/94/01/386279401.db2.gz AFFLBUCVURSGDU-QWRGUYRKSA-N 1 2 225.292 0.266 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C(F)(F)F ZINC000276549549 386343539 /nfs/dbraw/zinc/34/35/39/386343539.db2.gz HISBIYXYVGRMRQ-HIXXPVPXSA-N 1 2 249.192 0.462 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000289697800 386344872 /nfs/dbraw/zinc/34/48/72/386344872.db2.gz BQHPDDGUTQFHHZ-QWRGUYRKSA-N 1 2 235.287 0.754 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000289697800 386344875 /nfs/dbraw/zinc/34/48/75/386344875.db2.gz BQHPDDGUTQFHHZ-QWRGUYRKSA-N 1 2 235.287 0.754 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000265491277 386345421 /nfs/dbraw/zinc/34/54/21/386345421.db2.gz CICBEIZNTAKOOQ-LSYCYVAJSA-N 1 2 241.360 0.761 20 0 BCADLO CC[C@](C)(O)CNC(=O)CCc1c[nH+]cn1C ZINC000276575053 386346026 /nfs/dbraw/zinc/34/60/26/386346026.db2.gz KYIQQLBQBXWNPQ-LBPRGKRZSA-N 1 2 239.319 0.630 20 0 BCADLO O=C1CN(CCn2cc[nH+]c2)CCN1C1CC1 ZINC000336687517 386346784 /nfs/dbraw/zinc/34/67/84/386346784.db2.gz GTDRKBNJFWKPOS-UHFFFAOYSA-N 1 2 234.303 0.190 20 0 BCADLO COC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187104360 386351709 /nfs/dbraw/zinc/35/17/09/386351709.db2.gz VXPQJHAJWJTTSK-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO COC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187104360 386351712 /nfs/dbraw/zinc/35/17/12/386351712.db2.gz VXPQJHAJWJTTSK-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@@H]1c1ccccc1 ZINC000265620696 386351803 /nfs/dbraw/zinc/35/18/03/386351803.db2.gz BCIKADSAOMZHNP-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@@H]1c1ccccc1 ZINC000265620696 386351808 /nfs/dbraw/zinc/35/18/08/386351808.db2.gz BCIKADSAOMZHNP-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO C[C@@H](CCO)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000265625853 386353473 /nfs/dbraw/zinc/35/34/73/386353473.db2.gz YYBCUFGYZSHNIA-VIFPVBQESA-N 1 2 236.319 0.647 20 0 BCADLO C[C@@H](CCO)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000265625853 386353478 /nfs/dbraw/zinc/35/34/78/386353478.db2.gz YYBCUFGYZSHNIA-VIFPVBQESA-N 1 2 236.319 0.647 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000276632315 386357849 /nfs/dbraw/zinc/35/78/49/386357849.db2.gz SZIRQQGSZHLWBD-NSHDSACASA-N 1 2 239.319 0.486 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)on1 ZINC000265667636 386358115 /nfs/dbraw/zinc/35/81/15/386358115.db2.gz WCJFWVONCAXCIU-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)on1 ZINC000265667636 386358119 /nfs/dbraw/zinc/35/81/19/386358119.db2.gz WCJFWVONCAXCIU-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289845965 386361802 /nfs/dbraw/zinc/36/18/02/386361802.db2.gz KLEJGQCKVVCFDP-IONNQARKSA-N 1 2 242.710 0.657 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289845965 386361805 /nfs/dbraw/zinc/36/18/05/386361805.db2.gz KLEJGQCKVVCFDP-IONNQARKSA-N 1 2 242.710 0.657 20 0 BCADLO CCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347324806 386362725 /nfs/dbraw/zinc/36/27/25/386362725.db2.gz RIFAMMKYLBUGGM-BFVZDQMLSA-N 1 2 219.350 0.864 20 0 BCADLO CCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347324806 386362729 /nfs/dbraw/zinc/36/27/29/386362729.db2.gz RIFAMMKYLBUGGM-BFVZDQMLSA-N 1 2 219.350 0.864 20 0 BCADLO Cc1nnc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)s1 ZINC000347324093 386363605 /nfs/dbraw/zinc/36/36/05/386363605.db2.gz YCBDMJGJIAECKI-RKDXNWHRSA-N 1 2 243.332 0.164 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H](O)Cn1cccn1 ZINC000265787268 386369518 /nfs/dbraw/zinc/36/95/18/386369518.db2.gz LPBFKMFIPONCGO-LLVKDONJSA-N 1 2 236.275 0.364 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H](O)Cn1cccn1 ZINC000265787268 386369523 /nfs/dbraw/zinc/36/95/23/386369523.db2.gz LPBFKMFIPONCGO-LLVKDONJSA-N 1 2 236.275 0.364 20 0 BCADLO CC[C@H](COC)NC(=O)NCc1[nH+]ccn1C ZINC000265811703 386373553 /nfs/dbraw/zinc/37/35/53/386373553.db2.gz PYGSILODUGYVTM-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO CO[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000276783180 386373919 /nfs/dbraw/zinc/37/39/19/386373919.db2.gz PWJUWDQQIJCRDJ-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO CN(C)C(=O)CC[N@H+](C)Cc1ccon1 ZINC000265838918 386374938 /nfs/dbraw/zinc/37/49/38/386374938.db2.gz WCDXANXVSIAOBA-UHFFFAOYSA-N 1 2 211.265 0.585 20 0 BCADLO CN(C)C(=O)CC[N@@H+](C)Cc1ccon1 ZINC000265838918 386374944 /nfs/dbraw/zinc/37/49/44/386374944.db2.gz WCDXANXVSIAOBA-UHFFFAOYSA-N 1 2 211.265 0.585 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)CCc2ccccc2)nc1=O ZINC000347387354 386375414 /nfs/dbraw/zinc/37/54/14/386375414.db2.gz BMNYCWINYDNYMK-UHFFFAOYSA-N 1 2 246.314 0.783 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347387674 386376982 /nfs/dbraw/zinc/37/69/82/386376982.db2.gz YVQVYZWCLJFUNX-ONGXEEELSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347387674 386376988 /nfs/dbraw/zinc/37/69/88/386376988.db2.gz YVQVYZWCLJFUNX-ONGXEEELSA-N 1 2 233.283 0.734 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347390316 386379742 /nfs/dbraw/zinc/37/97/42/386379742.db2.gz SFVSLGUTZNGKHP-JTQLQIEISA-N 1 2 202.273 0.947 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347390316 386379747 /nfs/dbraw/zinc/37/97/47/386379747.db2.gz SFVSLGUTZNGKHP-JTQLQIEISA-N 1 2 202.273 0.947 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347392549 386380178 /nfs/dbraw/zinc/38/01/78/386380178.db2.gz PYLYANILIGEZJJ-NSHDSACASA-N 1 2 232.299 0.573 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347392549 386380181 /nfs/dbraw/zinc/38/01/81/386380181.db2.gz PYLYANILIGEZJJ-NSHDSACASA-N 1 2 232.299 0.573 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2cccs2)nc1=O ZINC000347391011 386380322 /nfs/dbraw/zinc/38/03/22/386380322.db2.gz IZYFUHKJXLYRJB-UHFFFAOYSA-N 1 2 238.316 0.802 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2cccs2)nc1=O ZINC000347391011 386380326 /nfs/dbraw/zinc/38/03/26/386380326.db2.gz IZYFUHKJXLYRJB-UHFFFAOYSA-N 1 2 238.316 0.802 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)c1 ZINC000289996252 386382791 /nfs/dbraw/zinc/38/27/91/386382791.db2.gz SSRPLUGZSFWNPQ-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3cnn(C)n3)C2)c1 ZINC000289996252 386382794 /nfs/dbraw/zinc/38/27/94/386382794.db2.gz SSRPLUGZSFWNPQ-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(OC)nc1 ZINC000276441664 386325735 /nfs/dbraw/zinc/32/57/35/386325735.db2.gz RLEGXRDWSAHRSG-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(OC)nc1 ZINC000276441664 386325742 /nfs/dbraw/zinc/32/57/42/386325742.db2.gz RLEGXRDWSAHRSG-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCCn1ccnc1)C1CC1 ZINC000276495175 386332450 /nfs/dbraw/zinc/33/24/50/386332450.db2.gz WIFFNQDBSVCGKS-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO CCCCOCC(=O)NCc1[nH+]ccn1C ZINC000265434386 386336182 /nfs/dbraw/zinc/33/61/82/386336182.db2.gz SRHFFKSRWSQJCT-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000289651808 386338596 /nfs/dbraw/zinc/33/85/96/386338596.db2.gz YJKXJCQGWFJJCC-JTQLQIEISA-N 1 2 236.319 0.817 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000290436752 386436659 /nfs/dbraw/zinc/43/66/59/386436659.db2.gz SAMLKAWTOJVVDD-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000290436752 386436660 /nfs/dbraw/zinc/43/66/60/386436660.db2.gz SAMLKAWTOJVVDD-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCO)n1 ZINC000336712038 386437751 /nfs/dbraw/zinc/43/77/51/386437751.db2.gz QJPUPHYSSUPAFI-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000336712038 386437755 /nfs/dbraw/zinc/43/77/55/386437755.db2.gz QJPUPHYSSUPAFI-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000290492399 386442485 /nfs/dbraw/zinc/44/24/85/386442485.db2.gz RUXRZUUEWPKICA-LLVKDONJSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000290492399 386442489 /nfs/dbraw/zinc/44/24/89/386442489.db2.gz RUXRZUUEWPKICA-LLVKDONJSA-N 1 2 239.319 0.691 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@@H]1CCOC1 ZINC000527365678 386444016 /nfs/dbraw/zinc/44/40/16/386444016.db2.gz XBCDSNMZGZEHKL-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@@H]1CCOC1 ZINC000527365678 386444023 /nfs/dbraw/zinc/44/40/23/386444023.db2.gz XBCDSNMZGZEHKL-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)on1 ZINC000191773953 386449887 /nfs/dbraw/zinc/44/98/87/386449887.db2.gz QZACPEKCORZTIC-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)on1 ZINC000191773953 386449891 /nfs/dbraw/zinc/44/98/91/386449891.db2.gz QZACPEKCORZTIC-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](C)O)nc[nH+]1 ZINC000298811990 386387772 /nfs/dbraw/zinc/38/77/72/386387772.db2.gz FYPZZJXSJFAVSU-RKDXNWHRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](C)O)[nH+]cn1 ZINC000298811990 386387778 /nfs/dbraw/zinc/38/77/78/386387778.db2.gz FYPZZJXSJFAVSU-RKDXNWHRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000334496121 386388925 /nfs/dbraw/zinc/38/89/25/386388925.db2.gz IBEZPCKCBWGUMG-MWLCHTKSSA-N 1 2 245.282 0.930 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@](C)(O)C1CC1 ZINC000339373804 386393105 /nfs/dbraw/zinc/39/31/05/386393105.db2.gz QGCQORPKRWHDQG-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCn1cncn1 ZINC000336703899 386393483 /nfs/dbraw/zinc/39/34/83/386393483.db2.gz OZTSFYNMSQFRTA-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCn1cncn1 ZINC000336703899 386393485 /nfs/dbraw/zinc/39/34/85/386393485.db2.gz OZTSFYNMSQFRTA-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CN(CCn1cncn1)Cc1[nH+]ccn1C ZINC000336703899 386393489 /nfs/dbraw/zinc/39/34/89/386393489.db2.gz OZTSFYNMSQFRTA-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CCc1cc(N(C)CC(=O)N(C)C)nc(C)[nH+]1 ZINC000266040640 386394423 /nfs/dbraw/zinc/39/44/23/386394423.db2.gz UVUUCYHICWLQON-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nccs2)C[C@@H]1OC ZINC000276971103 386398238 /nfs/dbraw/zinc/39/82/38/386398238.db2.gz YBGDPZJTOUGMQV-DTORHVGOSA-N 1 2 228.317 0.989 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nccs2)C[C@@H]1OC ZINC000276971103 386398243 /nfs/dbraw/zinc/39/82/43/386398243.db2.gz YBGDPZJTOUGMQV-DTORHVGOSA-N 1 2 228.317 0.989 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000340613543 386398367 /nfs/dbraw/zinc/39/83/67/386398367.db2.gz DFLROZZFLCHMPM-ARENWVFISA-N 1 2 240.303 0.195 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(C)c1 ZINC000298946373 386398839 /nfs/dbraw/zinc/39/88/39/386398839.db2.gz KLAIBUCNMVUQAQ-SECBINFHSA-N 1 2 248.290 0.827 20 0 BCADLO C[N@H+](Cc1nnc(C2CC2)[nH]1)[C@@H]1CCOC1 ZINC000347429917 386399784 /nfs/dbraw/zinc/39/97/84/386399784.db2.gz CQALNBNKXCMEBN-SECBINFHSA-N 1 2 222.292 0.903 20 0 BCADLO C[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@@H]1CCOC1 ZINC000347429917 386399786 /nfs/dbraw/zinc/39/97/86/386399786.db2.gz CQALNBNKXCMEBN-SECBINFHSA-N 1 2 222.292 0.903 20 0 BCADLO CCS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182411598 386401056 /nfs/dbraw/zinc/40/10/56/386401056.db2.gz KAEZFOFVCQLHME-UHFFFAOYSA-N 1 2 245.348 0.978 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000452568829 386403184 /nfs/dbraw/zinc/40/31/84/386403184.db2.gz CHSYSHHHHMMIBR-YUSALJHKSA-N 1 2 249.314 0.944 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(=O)C(C)(C)C ZINC000266136780 386403212 /nfs/dbraw/zinc/40/32/12/386403212.db2.gz KWGCZFHMIRUUEM-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO CN(Cc1c[nH+]cn1C)Cc1cnccn1 ZINC000336702085 386404885 /nfs/dbraw/zinc/40/48/85/386404885.db2.gz MZIJZQUJTLDZQM-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1noc(COC)n1 ZINC000347449319 386406527 /nfs/dbraw/zinc/40/65/27/386406527.db2.gz FCEKNUYNOXRQAR-VIFPVBQESA-N 1 2 243.307 0.809 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1noc(COC)n1 ZINC000347449319 386406533 /nfs/dbraw/zinc/40/65/33/386406533.db2.gz FCEKNUYNOXRQAR-VIFPVBQESA-N 1 2 243.307 0.809 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)CO ZINC000299130373 386417699 /nfs/dbraw/zinc/41/76/99/386417699.db2.gz ZVTUXMIWSROWBH-VHSXEESVSA-N 1 2 240.307 0.199 20 0 BCADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933837 386420205 /nfs/dbraw/zinc/42/02/05/386420205.db2.gz FFBKUISQEWCPMX-UHFFFAOYSA-N 1 2 219.248 0.659 20 0 BCADLO C[C@H](CO)N(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299166824 386423572 /nfs/dbraw/zinc/42/35/72/386423572.db2.gz ZVTKNAUKSJRXCS-BDAKNGLRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@H](CO)N(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299166824 386423576 /nfs/dbraw/zinc/42/35/76/386423576.db2.gz ZVTKNAUKSJRXCS-BDAKNGLRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)[C@H](C)CO)nc[nH+]1 ZINC000299166833 386423937 /nfs/dbraw/zinc/42/39/37/386423937.db2.gz ZVTKNAUKSJRXCS-RKDXNWHRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)[C@H](C)CO)[nH+]cn1 ZINC000299166833 386423943 /nfs/dbraw/zinc/42/39/43/386423943.db2.gz ZVTKNAUKSJRXCS-RKDXNWHRSA-N 1 2 240.307 0.086 20 0 BCADLO CCc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000347499581 386424219 /nfs/dbraw/zinc/42/42/19/386424219.db2.gz OZMACLYEWRMISC-UHFFFAOYSA-N 1 2 233.275 0.967 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCSC1 ZINC000266390750 386431783 /nfs/dbraw/zinc/43/17/83/386431783.db2.gz IFIBGTZAEQHNRN-SECBINFHSA-N 1 2 225.317 0.895 20 0 BCADLO Cn1ccnc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000336737078 386472364 /nfs/dbraw/zinc/47/23/64/386472364.db2.gz ZLSJFJLHVLEMIN-NSHDSACASA-N 1 2 248.330 0.617 20 0 BCADLO Cn1ccnc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000336737078 386472373 /nfs/dbraw/zinc/47/23/73/386472373.db2.gz ZLSJFJLHVLEMIN-NSHDSACASA-N 1 2 248.330 0.617 20 0 BCADLO COc1ncncc1C[N@@H+]1CCCOCC1 ZINC000648002780 386474564 /nfs/dbraw/zinc/47/45/64/386474564.db2.gz PUMVLGYNVMYTJN-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO COc1ncncc1C[N@H+]1CCCOCC1 ZINC000648002780 386474565 /nfs/dbraw/zinc/47/45/65/386474565.db2.gz PUMVLGYNVMYTJN-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000290791916 386475141 /nfs/dbraw/zinc/47/51/41/386475141.db2.gz DFOQUYOGJLGAAZ-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000290791916 386475153 /nfs/dbraw/zinc/47/51/53/386475153.db2.gz DFOQUYOGJLGAAZ-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000335427382 386481557 /nfs/dbraw/zinc/48/15/57/386481557.db2.gz UDLWPKYKJMUEQK-MRVPVSSYSA-N 1 2 208.265 0.800 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290890424 386482750 /nfs/dbraw/zinc/48/27/50/386482750.db2.gz FRXUMURAEONCIX-ZJUUUORDSA-N 1 2 249.270 0.034 20 0 BCADLO CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000335427420 386482938 /nfs/dbraw/zinc/48/29/38/386482938.db2.gz FSLIONXSOBEDCC-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000335427420 386482945 /nfs/dbraw/zinc/48/29/45/386482945.db2.gz FSLIONXSOBEDCC-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1nccs1 ZINC000266955120 386484029 /nfs/dbraw/zinc/48/40/29/386484029.db2.gz VVGQQBSBGUVNKH-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1nccs1 ZINC000266955120 386484034 /nfs/dbraw/zinc/48/40/34/386484034.db2.gz VVGQQBSBGUVNKH-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COc1cccnc1 ZINC000266985524 386485120 /nfs/dbraw/zinc/48/51/20/386485120.db2.gz RYUAFNBHBVCJMY-UHFFFAOYSA-N 1 2 246.270 0.808 20 0 BCADLO CCc1cc(C(=O)N2CCn3c[nH+]cc3C2)[nH]n1 ZINC000290907810 386485798 /nfs/dbraw/zinc/48/57/98/386485798.db2.gz IMQPCATUCXRTDM-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COc1ncncc1C[NH+]1CC(C(C)(C)O)C1 ZINC000648042791 386485873 /nfs/dbraw/zinc/48/58/73/386485873.db2.gz UDTMRAFUGDXIKX-UHFFFAOYSA-N 1 2 237.303 0.688 20 0 BCADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000068940498 386488493 /nfs/dbraw/zinc/48/84/93/386488493.db2.gz AFRULZQHSDBCMT-MRVPVSSYSA-N 1 2 246.357 0.810 20 0 BCADLO Cc1[nH]nc(C(=O)N2CCn3c[nH+]cc3C2)c1C ZINC000290971594 386494389 /nfs/dbraw/zinc/49/43/89/386494389.db2.gz TVUOPKQBVDDFEZ-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000290975297 386494647 /nfs/dbraw/zinc/49/46/47/386494647.db2.gz CECYHHOJPDSDHS-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO COC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290991299 386496515 /nfs/dbraw/zinc/49/65/15/386496515.db2.gz XIFDJIBQQCBDHS-UHFFFAOYSA-N 1 2 223.276 0.650 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)n(C)n1 ZINC000291009205 386498671 /nfs/dbraw/zinc/49/86/71/386498671.db2.gz ZUYSITZAXKAYOA-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO CCOC[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000191898276 386503533 /nfs/dbraw/zinc/50/35/33/386503533.db2.gz IEOVOTDJEORFGR-QMMMGPOBSA-N 1 2 228.296 0.650 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H](CO)c2ccccc2)nn1 ZINC000336783929 386507893 /nfs/dbraw/zinc/50/78/93/386507893.db2.gz JQALRMMGNYUCGL-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)nn1 ZINC000336783929 386507895 /nfs/dbraw/zinc/50/78/95/386507895.db2.gz JQALRMMGNYUCGL-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO COC(=O)C1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493322962 533174155 /nfs/dbraw/zinc/17/41/55/533174155.db2.gz PHVPYUSLBBFROV-ARJAWSKDSA-N 1 2 249.270 0.444 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267214257 386511645 /nfs/dbraw/zinc/51/16/45/386511645.db2.gz SPVIEYZUVTUBFI-LLVKDONJSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)n1 ZINC000336733288 386513507 /nfs/dbraw/zinc/51/35/07/386513507.db2.gz GNUJAEXOXFDQHG-RNFRBKRXSA-N 1 2 226.280 0.505 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)CC[S@@](C)=O)c[nH+]1 ZINC000267232111 386514983 /nfs/dbraw/zinc/51/49/83/386514983.db2.gz PPAURSNMBSINMT-VGDKGRGNSA-N 1 2 243.332 0.605 20 0 BCADLO O=C(c1cncc(O)c1)N1CCn2c[nH+]cc2C1 ZINC000291161246 386517994 /nfs/dbraw/zinc/51/79/94/386517994.db2.gz QRJSLVKSPOPGAY-UHFFFAOYSA-N 1 2 244.254 0.640 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC000408372014 386525274 /nfs/dbraw/zinc/52/52/74/386525274.db2.gz AOGIUTQMNQDMPK-VIFPVBQESA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC000408372014 386525278 /nfs/dbraw/zinc/52/52/78/386525278.db2.gz AOGIUTQMNQDMPK-VIFPVBQESA-N 1 2 224.308 0.885 20 0 BCADLO COC(=O)CN(Cc1cc[nH+]c(N)c1)C1CC1 ZINC000299422188 386453437 /nfs/dbraw/zinc/45/34/37/386453437.db2.gz WYIMXKQAYGXFNI-UHFFFAOYSA-N 1 2 235.287 0.801 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@@H]1CCN(C2CC2)C1=O ZINC000336724503 386457036 /nfs/dbraw/zinc/45/70/36/386457036.db2.gz JURIZMAAIHNTBY-GFCCVEGCSA-N 1 2 246.314 0.672 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@@H]1CCN(C2CC2)C1=O ZINC000336724503 386457042 /nfs/dbraw/zinc/45/70/42/386457042.db2.gz JURIZMAAIHNTBY-GFCCVEGCSA-N 1 2 246.314 0.672 20 0 BCADLO COC(=O)NCC(=O)Nc1c[nH+]ccc1OC ZINC000299498724 386458794 /nfs/dbraw/zinc/45/87/94/386458794.db2.gz PJOVJXXOUJWYCP-UHFFFAOYSA-N 1 2 239.231 0.385 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCO1 ZINC000264290850 386576101 /nfs/dbraw/zinc/57/61/01/386576101.db2.gz KDGIAZDODFNUCL-MRVPVSSYSA-N 1 2 209.249 0.215 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365651400 386584446 /nfs/dbraw/zinc/58/44/46/386584446.db2.gz DMMKVXSMXAWPOG-QWRGUYRKSA-N 1 2 234.303 0.286 20 0 BCADLO C[C@H](O)C[N@H+](CCO)CC(=O)OC(C)(C)C ZINC000336644135 386586382 /nfs/dbraw/zinc/58/63/82/386586382.db2.gz BTUBFHBPTYFJQK-VIFPVBQESA-N 1 2 233.308 0.003 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)CC(=O)OC(C)(C)C ZINC000336644135 386586389 /nfs/dbraw/zinc/58/63/89/386586389.db2.gz BTUBFHBPTYFJQK-VIFPVBQESA-N 1 2 233.308 0.003 20 0 BCADLO Cc1cnc(C(=O)NCCn2cc[nH+]c2)o1 ZINC000291852260 386590226 /nfs/dbraw/zinc/59/02/26/386590226.db2.gz VBULSJQQHQRYKF-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2[nH]c[nH+]c2C)c1C ZINC000267868325 386593679 /nfs/dbraw/zinc/59/36/79/386593679.db2.gz JKWCIJMQYQNQQD-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO Cc1cnc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000291862612 386594246 /nfs/dbraw/zinc/59/42/46/386594246.db2.gz VWPGNDWZMKGLFV-QMMMGPOBSA-N 1 2 234.259 0.998 20 0 BCADLO CC(C)(C(=O)N1CC[C@H](F)C1)[NH+]1CCOCC1 ZINC000335421429 386594676 /nfs/dbraw/zinc/59/46/76/386594676.db2.gz LWDHJXBYVWRMBC-JTQLQIEISA-N 1 2 244.310 0.668 20 0 BCADLO NC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335423253 386595601 /nfs/dbraw/zinc/59/56/01/386595601.db2.gz ZBUGBGNJMCHKPB-VIFPVBQESA-N 1 2 216.306 0.730 20 0 BCADLO NC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335423253 386595607 /nfs/dbraw/zinc/59/56/07/386595607.db2.gz ZBUGBGNJMCHKPB-VIFPVBQESA-N 1 2 216.306 0.730 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cnn(C)c1 ZINC000061679359 386531846 /nfs/dbraw/zinc/53/18/46/386531846.db2.gz ZABYHZMUIXWNEE-VIFPVBQESA-N 1 2 210.281 0.116 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cnn(C)c1 ZINC000061679359 386531854 /nfs/dbraw/zinc/53/18/54/386531854.db2.gz ZABYHZMUIXWNEE-VIFPVBQESA-N 1 2 210.281 0.116 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291389356 386539237 /nfs/dbraw/zinc/53/92/37/386539237.db2.gz BHBAOPCHHKSDBK-UWVGGRQHSA-N 1 2 221.260 0.445 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291389356 386539242 /nfs/dbraw/zinc/53/92/42/386539242.db2.gz BHBAOPCHHKSDBK-UWVGGRQHSA-N 1 2 221.260 0.445 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CCC=CO2)CC1=O ZINC000278522316 386539614 /nfs/dbraw/zinc/53/96/14/386539614.db2.gz SFVIJNHFKMTAER-LLVKDONJSA-N 1 2 224.304 0.843 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CCC=CO2)CC1=O ZINC000278522316 386539618 /nfs/dbraw/zinc/53/96/18/386539618.db2.gz SFVIJNHFKMTAER-LLVKDONJSA-N 1 2 224.304 0.843 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000291403310 386541772 /nfs/dbraw/zinc/54/17/72/386541772.db2.gz HDRLWGYGFDBLLX-ZCFIWIBFSA-N 1 2 221.182 0.950 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000061708373 386546108 /nfs/dbraw/zinc/54/61/08/386546108.db2.gz BQJRHBXZEDYTIA-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000061708373 386546117 /nfs/dbraw/zinc/54/61/17/386546117.db2.gz BQJRHBXZEDYTIA-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000135822847 386548664 /nfs/dbraw/zinc/54/86/64/386548664.db2.gz DHFWJCNYEHSIRL-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@H](CO)C1 ZINC000135822847 386548666 /nfs/dbraw/zinc/54/86/66/386548666.db2.gz DHFWJCNYEHSIRL-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000291467094 386548772 /nfs/dbraw/zinc/54/87/72/386548772.db2.gz DMHLYTXYNMQJKX-MRVPVSSYSA-N 1 2 248.286 0.951 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000291467094 386548778 /nfs/dbraw/zinc/54/87/78/386548778.db2.gz DMHLYTXYNMQJKX-MRVPVSSYSA-N 1 2 248.286 0.951 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187397059 386550294 /nfs/dbraw/zinc/55/02/94/386550294.db2.gz WLEDLTQLUONYPC-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187397059 386550297 /nfs/dbraw/zinc/55/02/97/386550297.db2.gz WLEDLTQLUONYPC-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO COC(C)(C)CC(=O)NCCn1cc[nH+]c1 ZINC000278637283 386557362 /nfs/dbraw/zinc/55/73/62/386557362.db2.gz YRVQRMCGZRDRAI-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CC(C)n1ccnc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278640568 386558205 /nfs/dbraw/zinc/55/82/05/386558205.db2.gz GWXNRWWDUHCWTC-UWVGGRQHSA-N 1 2 225.292 0.001 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CC(C)C ZINC000278649195 386561318 /nfs/dbraw/zinc/56/13/18/386561318.db2.gz GOSNJLFAMIQALW-SNVBAGLBSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](CO)CC(C)C ZINC000278649195 386561322 /nfs/dbraw/zinc/56/13/22/386561322.db2.gz GOSNJLFAMIQALW-SNVBAGLBSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)on1 ZINC000267651547 386567803 /nfs/dbraw/zinc/56/78/03/386567803.db2.gz LEDATKNKJNLCRA-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)on1 ZINC000267651547 386567807 /nfs/dbraw/zinc/56/78/07/386567807.db2.gz LEDATKNKJNLCRA-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)NCc1[nH+]ccn1C ZINC000267660195 386569382 /nfs/dbraw/zinc/56/93/82/386569382.db2.gz OIQMGJFPAVSFGZ-SECBINFHSA-N 1 2 240.307 0.236 20 0 BCADLO Cc1nc(N2CCN(C3CC3)C(=O)C2)cc[nH+]1 ZINC000336985578 386571180 /nfs/dbraw/zinc/57/11/80/386571180.db2.gz HFWABPCYMXSJLE-UHFFFAOYSA-N 1 2 232.287 0.596 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000329163674 386623184 /nfs/dbraw/zinc/62/31/84/386623184.db2.gz GOAZUCDCFYLJEC-OPRDCNLKSA-N 1 2 226.276 0.736 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000329163674 386623191 /nfs/dbraw/zinc/62/31/91/386623191.db2.gz GOAZUCDCFYLJEC-OPRDCNLKSA-N 1 2 226.276 0.736 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000328820295 386624222 /nfs/dbraw/zinc/62/42/22/386624222.db2.gz FFLGORMNCQEURU-SNVBAGLBSA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000328820295 386624227 /nfs/dbraw/zinc/62/42/27/386624227.db2.gz FFLGORMNCQEURU-SNVBAGLBSA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000328820295 386624229 /nfs/dbraw/zinc/62/42/29/386624229.db2.gz FFLGORMNCQEURU-SNVBAGLBSA-N 1 2 234.303 0.606 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000328796965 386627282 /nfs/dbraw/zinc/62/72/82/386627282.db2.gz VIKGMDMBBOPVFQ-VIFPVBQESA-N 1 2 245.286 0.773 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000268244449 386632573 /nfs/dbraw/zinc/63/25/73/386632573.db2.gz SCPZAYCIZXIZLG-SNVBAGLBSA-N 1 2 237.303 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000268244449 386632575 /nfs/dbraw/zinc/63/25/75/386632575.db2.gz SCPZAYCIZXIZLG-SNVBAGLBSA-N 1 2 237.303 0.701 20 0 BCADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440500 386634177 /nfs/dbraw/zinc/63/41/77/386634177.db2.gz CMLVJSMCJHLZPV-CNUIFLNQSA-N 1 2 239.275 0.045 20 0 BCADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440500 386634186 /nfs/dbraw/zinc/63/41/86/386634186.db2.gz CMLVJSMCJHLZPV-CNUIFLNQSA-N 1 2 239.275 0.045 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N(CC2CC2)C1 ZINC000279136971 386637593 /nfs/dbraw/zinc/63/75/93/386637593.db2.gz WXLQCNIQQUSWCV-UHFFFAOYSA-N 1 2 234.303 0.432 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000268270233 386637622 /nfs/dbraw/zinc/63/76/22/386637622.db2.gz HBAZKQAXIXOOLT-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO CN(CCCS(C)(=O)=O)Cc1[nH+]ccn1C ZINC000119752068 386639309 /nfs/dbraw/zinc/63/93/09/386639309.db2.gz FSPZYQAVXUPSEO-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC(=O)CC1 ZINC000329241911 386640250 /nfs/dbraw/zinc/64/02/50/386640250.db2.gz NZCFZBMOOYHSMM-UHFFFAOYSA-N 1 2 221.260 0.465 20 0 BCADLO Cc1c[nH+]c(CNCC(F)(F)CO)n1C ZINC000336723732 386640246 /nfs/dbraw/zinc/64/02/46/386640246.db2.gz FQCAFOZWMAZLJK-UHFFFAOYSA-N 1 2 219.235 0.446 20 0 BCADLO CC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000292297365 386646095 /nfs/dbraw/zinc/64/60/95/386646095.db2.gz SBXHAEFWQZIWBP-QMMMGPOBSA-N 1 2 211.265 0.873 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292317840 386649252 /nfs/dbraw/zinc/64/92/52/386649252.db2.gz BFYGXCAWGNORMH-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292317840 386649258 /nfs/dbraw/zinc/64/92/58/386649258.db2.gz BFYGXCAWGNORMH-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO CC[C@H](CNC(=O)CCc1[nH]cc[nH+]1)OC ZINC000292327784 386649396 /nfs/dbraw/zinc/64/93/96/386649396.db2.gz USVFHIWZVKHUIW-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO O=C([C@@H]1CCC(=O)C1)N1CC[NH+](C2CC2)CC1 ZINC000335513821 386649755 /nfs/dbraw/zinc/64/97/55/386649755.db2.gz JLNVBNDXXJSWPI-SNVBAGLBSA-N 1 2 236.315 0.662 20 0 BCADLO CO[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279223386 386650112 /nfs/dbraw/zinc/65/01/12/386650112.db2.gz PFJCWNYBOVJQDQ-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000279219363 386650442 /nfs/dbraw/zinc/65/04/42/386650442.db2.gz OVCVEYGDZSKKFI-KOLCDFICSA-N 1 2 237.303 0.680 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000279219363 386650449 /nfs/dbraw/zinc/65/04/49/386650449.db2.gz OVCVEYGDZSKKFI-KOLCDFICSA-N 1 2 237.303 0.680 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000337202742 386651032 /nfs/dbraw/zinc/65/10/32/386651032.db2.gz HEAFARXJTUEMEZ-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000337202742 386651035 /nfs/dbraw/zinc/65/10/35/386651035.db2.gz HEAFARXJTUEMEZ-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO CCC[C@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000336646909 386654620 /nfs/dbraw/zinc/65/46/20/386654620.db2.gz DJVQNHRVZGPYMW-IUCAKERBSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)(C(=O)NCC(=O)C1CC1)c1c[nH]c[nH+]1 ZINC000331449967 386602575 /nfs/dbraw/zinc/60/25/75/386602575.db2.gz JBQXQJWIPGZQLH-UHFFFAOYSA-N 1 2 235.287 0.783 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000328649263 386603885 /nfs/dbraw/zinc/60/38/85/386603885.db2.gz IRMLDRUTIJGYDK-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000328649263 386603892 /nfs/dbraw/zinc/60/38/92/386603892.db2.gz IRMLDRUTIJGYDK-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCCO1 ZINC000267969607 386604649 /nfs/dbraw/zinc/60/46/49/386604649.db2.gz UDIIJCISHWBSTK-ZYHUDNBSSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCCO1 ZINC000267969602 386604724 /nfs/dbraw/zinc/60/47/24/386604724.db2.gz UDIIJCISHWBSTK-CMPLNLGQSA-N 1 2 237.303 0.957 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291959810 386605482 /nfs/dbraw/zinc/60/54/82/386605482.db2.gz UYYXZPXAAXVJRU-CQSZACIVSA-N 1 2 249.310 0.795 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291959810 386605487 /nfs/dbraw/zinc/60/54/87/386605487.db2.gz UYYXZPXAAXVJRU-CQSZACIVSA-N 1 2 249.310 0.795 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCCO1 ZINC000268001078 386607333 /nfs/dbraw/zinc/60/73/33/386607333.db2.gz WBFDKWVFFINEDY-LLVKDONJSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000328669545 386607585 /nfs/dbraw/zinc/60/75/85/386607585.db2.gz MBQDGIKKYDQRTL-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000328669545 386607591 /nfs/dbraw/zinc/60/75/91/386607591.db2.gz MBQDGIKKYDQRTL-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCOCC12CC2 ZINC000328718762 386610145 /nfs/dbraw/zinc/61/01/45/386610145.db2.gz VFDRDBHUCIMYGR-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCOCC12CC2 ZINC000328718762 386610154 /nfs/dbraw/zinc/61/01/54/386610154.db2.gz VFDRDBHUCIMYGR-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CCCO1 ZINC000278962764 386611466 /nfs/dbraw/zinc/61/14/66/386611466.db2.gz WUVDTOYVCIYUKI-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335493066 386612349 /nfs/dbraw/zinc/61/23/49/386612349.db2.gz VDPKZRFSRIUCDP-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ncccc1O ZINC000408373110 386612517 /nfs/dbraw/zinc/61/25/17/386612517.db2.gz KJAOHQHJSWCCPC-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ncccc1O ZINC000408373110 386612523 /nfs/dbraw/zinc/61/25/23/386612523.db2.gz KJAOHQHJSWCCPC-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CCC1 ZINC000329139801 386614855 /nfs/dbraw/zinc/61/48/55/386614855.db2.gz FLOYDSHFDDJAEF-VIFPVBQESA-N 1 2 234.259 0.630 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C1CCC1 ZINC000329139801 386614860 /nfs/dbraw/zinc/61/48/60/386614860.db2.gz FLOYDSHFDDJAEF-VIFPVBQESA-N 1 2 234.259 0.630 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000336645656 386615057 /nfs/dbraw/zinc/61/50/57/386615057.db2.gz YKYDYFQXJUYTDA-GJMOJQLCSA-N 1 2 203.307 0.889 20 0 BCADLO O=C1C[C@]2(CCN(c3cccc[nH+]3)C2)CN1 ZINC000278978473 386615741 /nfs/dbraw/zinc/61/57/41/386615741.db2.gz CUDLYWCKYNAJQF-GFCCVEGCSA-N 1 2 217.272 0.798 20 0 BCADLO O=C(N[C@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000179203834 386616398 /nfs/dbraw/zinc/61/63/98/386616398.db2.gz IPHDEAMFSDUBCK-JTQLQIEISA-N 1 2 231.255 0.853 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096642029 386616826 /nfs/dbraw/zinc/61/68/26/386616826.db2.gz UJQGLJGGTODIHQ-JQWIXIFHSA-N 1 2 249.314 0.741 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279299254 386660877 /nfs/dbraw/zinc/66/08/77/386660877.db2.gz ZROKFQYOZSRWGH-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO Cn1cc(C[N@H+](CCO)Cc2cccnc2)cn1 ZINC000268687028 386682356 /nfs/dbraw/zinc/68/23/56/386682356.db2.gz NZBHNTOVXJGDOP-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1cc(C[N@@H+](CCO)Cc2cccnc2)cn1 ZINC000268687028 386682366 /nfs/dbraw/zinc/68/23/66/386682366.db2.gz NZBHNTOVXJGDOP-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000336647978 386673053 /nfs/dbraw/zinc/67/30/53/386673053.db2.gz GAXZPOSWCCMITF-IUCAKERBSA-N 1 2 203.282 0.951 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000330364379 386677240 /nfs/dbraw/zinc/67/72/40/386677240.db2.gz LTASRIXDGUKQRV-BDAKNGLRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000330364379 386677245 /nfs/dbraw/zinc/67/72/45/386677245.db2.gz LTASRIXDGUKQRV-BDAKNGLRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000330364380 386677297 /nfs/dbraw/zinc/67/72/97/386677297.db2.gz LTASRIXDGUKQRV-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000330364380 386677301 /nfs/dbraw/zinc/67/73/01/386677301.db2.gz LTASRIXDGUKQRV-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO Cc1noc(CN(C)CC[NH+]2CCOCC2)n1 ZINC000330364399 386678318 /nfs/dbraw/zinc/67/83/18/386678318.db2.gz MIOLBHZIGZVVNN-UHFFFAOYSA-N 1 2 240.307 0.142 20 0 BCADLO C[C@H](C(=O)N(C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000335520580 386658134 /nfs/dbraw/zinc/65/81/34/386658134.db2.gz IYSGNKIWPWMMLS-LLVKDONJSA-N 1 2 241.379 0.879 20 0 BCADLO COC[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000279285681 386658890 /nfs/dbraw/zinc/65/88/90/386658890.db2.gz XIORGYYYXJXUEN-MRVPVSSYSA-N 1 2 225.292 0.754 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335532066 386683392 /nfs/dbraw/zinc/68/33/92/386683392.db2.gz VSJOGUAJAJVKHI-UWVGGRQHSA-N 1 2 235.287 0.793 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292536421 386686356 /nfs/dbraw/zinc/68/63/56/386686356.db2.gz PMISFMWQCIJNOS-LLVKDONJSA-N 1 2 238.291 0.498 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292536421 386686363 /nfs/dbraw/zinc/68/63/63/386686363.db2.gz PMISFMWQCIJNOS-LLVKDONJSA-N 1 2 238.291 0.498 20 0 BCADLO CC[C@H]([NH2+]CC(C)(C)C(=O)OC)C(=O)OC ZINC000192857306 386688059 /nfs/dbraw/zinc/68/80/59/386688059.db2.gz GHVQBKVPYLYWIK-QMMMGPOBSA-N 1 2 231.292 0.727 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000292577364 386692496 /nfs/dbraw/zinc/69/24/96/386692496.db2.gz PDQNAVCMOOZYTP-RNFRBKRXSA-N 1 2 211.265 0.871 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1CCOC1 ZINC000264370603 386695965 /nfs/dbraw/zinc/69/59/65/386695965.db2.gz GNBQSVXLOOFXGE-QMMMGPOBSA-N 1 2 233.275 0.588 20 0 BCADLO CO[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000330386026 386697396 /nfs/dbraw/zinc/69/73/96/386697396.db2.gz ALFDOPSSWGTLQG-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO C[C@H](CC(=O)NC1(CO)CC1)n1cc[nH+]c1 ZINC000520591946 386698546 /nfs/dbraw/zinc/69/85/46/386698546.db2.gz YEWWZCVXCYYLCH-SECBINFHSA-N 1 2 223.276 0.475 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C1(OC)CC1 ZINC000648400791 386698581 /nfs/dbraw/zinc/69/85/81/386698581.db2.gz GKZLOCIOTJQLTK-UHFFFAOYSA-N 1 2 236.271 0.885 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000330410676 386705926 /nfs/dbraw/zinc/70/59/26/386705926.db2.gz UIEXQAQERYMKJP-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CC[C@H](C)C[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191960450 386732932 /nfs/dbraw/zinc/73/29/32/386732932.db2.gz SUIMZZMMOKKCQT-DJLDLDEBSA-N 1 2 203.282 0.545 20 0 BCADLO O=S(=O)(C1CC1)N1CCn2cc[nH+]c2C1 ZINC000334142279 386740600 /nfs/dbraw/zinc/74/06/00/386740600.db2.gz NJHKJEJSLMOGBZ-UHFFFAOYSA-N 1 2 227.289 0.191 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000269015788 386738624 /nfs/dbraw/zinc/73/86/24/386738624.db2.gz OEXAGXYZHMOHSG-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000269015788 386738629 /nfs/dbraw/zinc/73/86/29/386738629.db2.gz OEXAGXYZHMOHSG-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO Cc1csc(C2([NH2+]CC(N)=O)CCC2)n1 ZINC000265470064 386715388 /nfs/dbraw/zinc/71/53/88/386715388.db2.gz HXXSDIPMZZBEOM-UHFFFAOYSA-N 1 2 225.317 0.906 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3cc[nH]c3n2)nn1 ZINC000353220076 386717775 /nfs/dbraw/zinc/71/77/75/386717775.db2.gz CCYBIPSTJSCVMX-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1C ZINC000268907462 386718443 /nfs/dbraw/zinc/71/84/43/386718443.db2.gz LQBXHOXVUFOHDY-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(C)c1C ZINC000268907462 386718447 /nfs/dbraw/zinc/71/84/47/386718447.db2.gz LQBXHOXVUFOHDY-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO c1nc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)co1 ZINC000191934396 386721039 /nfs/dbraw/zinc/72/10/39/386721039.db2.gz QIJGRWANDCPXJM-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO c1nc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)co1 ZINC000191934396 386721043 /nfs/dbraw/zinc/72/10/43/386721043.db2.gz QIJGRWANDCPXJM-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO c1nc(CN2CC[C@@H]([NH+]3CCOCC3)C2)co1 ZINC000191934396 386721050 /nfs/dbraw/zinc/72/10/50/386721050.db2.gz QIJGRWANDCPXJM-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO CO[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000330469866 386724445 /nfs/dbraw/zinc/72/44/45/386724445.db2.gz ZLQUHNHYTHFNRU-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCSC1 ZINC000279717783 386728793 /nfs/dbraw/zinc/72/87/93/386728793.db2.gz BCSUBFWXALJVPG-VIFPVBQESA-N 1 2 225.317 0.964 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCSC1 ZINC000279717783 386728797 /nfs/dbraw/zinc/72/87/97/386728797.db2.gz BCSUBFWXALJVPG-VIFPVBQESA-N 1 2 225.317 0.964 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1=CCCC1 ZINC000348524527 386751112 /nfs/dbraw/zinc/75/11/12/386751112.db2.gz IVTHSEHBZQBGLP-UHFFFAOYSA-N 1 2 224.304 0.545 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)C(F)F ZINC000279891000 386751347 /nfs/dbraw/zinc/75/13/47/386751347.db2.gz OJHCQDASUAMRMQ-UHFFFAOYSA-N 1 2 217.219 0.997 20 0 BCADLO CCOCCNC(=O)CCc1c[nH+]cn1C ZINC000357293353 386754106 /nfs/dbraw/zinc/75/41/06/386754106.db2.gz SJMLSLVUZNKNNI-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO COC(=O)CCCC(=O)Nc1cc[nH+]cc1O ZINC000357318177 386758389 /nfs/dbraw/zinc/75/83/89/386758389.db2.gz WDOAZZJKXCQTJV-UHFFFAOYSA-N 1 2 238.243 0.491 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)nn1 ZINC000330553844 386765971 /nfs/dbraw/zinc/76/59/71/386765971.db2.gz GLWRPOIUNMLJCI-WPRPVWTQSA-N 1 2 241.266 0.390 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)nn1 ZINC000330553844 386765976 /nfs/dbraw/zinc/76/59/76/386765976.db2.gz GLWRPOIUNMLJCI-WPRPVWTQSA-N 1 2 241.266 0.390 20 0 BCADLO CC[N@H+](CCO)Cc1nnnn1C(C)C ZINC000303255108 386767109 /nfs/dbraw/zinc/76/71/09/386767109.db2.gz FYDOPLVHZWKMDB-UHFFFAOYSA-N 1 2 213.285 0.068 20 0 BCADLO CC[N@@H+](CCO)Cc1nnnn1C(C)C ZINC000303255108 386767117 /nfs/dbraw/zinc/76/71/17/386767117.db2.gz FYDOPLVHZWKMDB-UHFFFAOYSA-N 1 2 213.285 0.068 20 0 BCADLO Cn1c[nH+]cc1CN1CCN(CC(N)=O)CC1 ZINC000330559524 386768064 /nfs/dbraw/zinc/76/80/64/386768064.db2.gz AWJBPRMDOOKEDO-UHFFFAOYSA-N 1 2 237.307 0.073 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000335538470 386742921 /nfs/dbraw/zinc/74/29/21/386742921.db2.gz KJEXLFRPXZYUQD-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000335538470 386742927 /nfs/dbraw/zinc/74/29/27/386742927.db2.gz KJEXLFRPXZYUQD-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO CCn1nccc1C[N@@H+]1CCSC[C@H]1CO ZINC000639396988 386794239 /nfs/dbraw/zinc/79/42/39/386794239.db2.gz GUZNJOGRTUPLHN-LLVKDONJSA-N 1 2 241.360 0.813 20 0 BCADLO CCn1nccc1C[N@H+]1CCSC[C@H]1CO ZINC000639396988 386794243 /nfs/dbraw/zinc/79/42/43/386794243.db2.gz GUZNJOGRTUPLHN-LLVKDONJSA-N 1 2 241.360 0.813 20 0 BCADLO Cn1cc(CNc2cc[nH+]cc2F)nn1 ZINC000336744059 386796074 /nfs/dbraw/zinc/79/60/74/386796074.db2.gz YVTUFJAVWQBXJZ-UHFFFAOYSA-N 1 2 207.212 0.383 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000113001909 386774359 /nfs/dbraw/zinc/77/43/59/386774359.db2.gz LNZGSHVBRFFPGM-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000113001909 386774363 /nfs/dbraw/zinc/77/43/63/386774363.db2.gz LNZGSHVBRFFPGM-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO O=C1C[N@H+](C[C@H](O)CC2CCCC2)CCN1 ZINC000191226104 386779219 /nfs/dbraw/zinc/77/92/19/386779219.db2.gz UESXLXWRLHQVIE-LLVKDONJSA-N 1 2 226.320 0.359 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)CC2CCCC2)CCN1 ZINC000191226104 386779221 /nfs/dbraw/zinc/77/92/21/386779221.db2.gz UESXLXWRLHQVIE-LLVKDONJSA-N 1 2 226.320 0.359 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1[nH]c[nH+]c1C ZINC000269343719 386782940 /nfs/dbraw/zinc/78/29/40/386782940.db2.gz CQNLKKFXWVWCOT-NSHDSACASA-N 1 2 225.292 0.885 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000269378069 386785926 /nfs/dbraw/zinc/78/59/26/386785926.db2.gz WKFGWPPNLRBECK-SNVBAGLBSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000269378069 386785929 /nfs/dbraw/zinc/78/59/29/386785929.db2.gz WKFGWPPNLRBECK-SNVBAGLBSA-N 1 2 209.293 0.922 20 0 BCADLO COCCn1cc(C[NH+]2CCOCC2)cn1 ZINC000269410834 386788676 /nfs/dbraw/zinc/78/86/76/386788676.db2.gz XAGWPOCTTUBVRE-UHFFFAOYSA-N 1 2 225.292 0.362 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000293455373 386820086 /nfs/dbraw/zinc/82/00/86/386820086.db2.gz CVFFFVQYPHULHV-NSHDSACASA-N 1 2 232.287 0.950 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1cn2cccnc2n1 ZINC000293455373 386820092 /nfs/dbraw/zinc/82/00/92/386820092.db2.gz CVFFFVQYPHULHV-NSHDSACASA-N 1 2 232.287 0.950 20 0 BCADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncnc1 ZINC000344857875 386801345 /nfs/dbraw/zinc/80/13/45/386801345.db2.gz PAOJSNBTXRKWRL-UWVGGRQHSA-N 1 2 211.240 0.381 20 0 BCADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cncnc1 ZINC000344857875 386801348 /nfs/dbraw/zinc/80/13/48/386801348.db2.gz PAOJSNBTXRKWRL-UWVGGRQHSA-N 1 2 211.240 0.381 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330587142 386802873 /nfs/dbraw/zinc/80/28/73/386802873.db2.gz YAZAFVQZVZALDL-MWLCHTKSSA-N 1 2 249.314 0.929 20 0 BCADLO CCOCCO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000357549924 386805137 /nfs/dbraw/zinc/80/51/37/386805137.db2.gz MKXGUKHUUIHLKH-VIFPVBQESA-N 1 2 241.291 0.468 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000357561204 386807575 /nfs/dbraw/zinc/80/75/75/386807575.db2.gz WMMSYPKIYMCHOC-VWYCJHECSA-N 1 2 226.320 0.574 20 0 BCADLO CCc1nocc1C[NH2+]Cc1nnnn1C1CC1 ZINC000645162898 386814981 /nfs/dbraw/zinc/81/49/81/386814981.db2.gz NPIHITRWFNDISI-UHFFFAOYSA-N 1 2 248.290 0.848 20 0 BCADLO O=S(=O)(CC1CC1)N1CCn2cc[nH+]c2C1 ZINC000330047353 386825582 /nfs/dbraw/zinc/82/55/82/386825582.db2.gz HPDGMRYAFUDRBS-UHFFFAOYSA-N 1 2 241.316 0.439 20 0 BCADLO Cc1c[nH]cc1C(=O)NCCn1cc[nH+]c1 ZINC000340053235 386830880 /nfs/dbraw/zinc/83/08/80/386830880.db2.gz OKTIUGZGQADABG-UHFFFAOYSA-N 1 2 218.260 0.950 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)C[C@@H]1C ZINC000334781606 386837203 /nfs/dbraw/zinc/83/72/03/386837203.db2.gz DWDMKDRTYXNSHC-VHSXEESVSA-N 1 2 235.287 0.799 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCn1nc(C)cc1C ZINC000280694643 386838354 /nfs/dbraw/zinc/83/83/54/386838354.db2.gz HWQTXRPJYDSZIO-NSHDSACASA-N 1 2 239.319 0.993 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCn1nc(C)cc1C ZINC000280694643 386838357 /nfs/dbraw/zinc/83/83/57/386838357.db2.gz HWQTXRPJYDSZIO-NSHDSACASA-N 1 2 239.319 0.993 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)O ZINC000249592219 386841410 /nfs/dbraw/zinc/84/14/10/386841410.db2.gz PHQHAFRAYPAJLM-GWCFXTLKSA-N 1 2 249.310 0.967 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](C)O ZINC000249592219 386841412 /nfs/dbraw/zinc/84/14/12/386841412.db2.gz PHQHAFRAYPAJLM-GWCFXTLKSA-N 1 2 249.310 0.967 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)nn1 ZINC000330271265 386843149 /nfs/dbraw/zinc/84/31/49/386843149.db2.gz VQDKSAUYSHJECI-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO Cn1cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)nn1 ZINC000330271265 386843158 /nfs/dbraw/zinc/84/31/58/386843158.db2.gz VQDKSAUYSHJECI-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC1(O)CCC1 ZINC000331394303 386849351 /nfs/dbraw/zinc/84/93/51/386849351.db2.gz QVFGVCFYYUTCCF-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000293636936 386852701 /nfs/dbraw/zinc/85/27/01/386852701.db2.gz DCLBTXGFDVCAKC-VIFPVBQESA-N 1 2 238.335 0.575 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CC2)n1C ZINC000331432711 386854144 /nfs/dbraw/zinc/85/41/44/386854144.db2.gz DASVARCSTIMNJP-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CC2)n1C ZINC000331432711 386854148 /nfs/dbraw/zinc/85/41/48/386854148.db2.gz DASVARCSTIMNJP-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCO1 ZINC000336744417 386855045 /nfs/dbraw/zinc/85/50/45/386855045.db2.gz UXEZYPUGHMPKAZ-JGVFFNPUSA-N 1 2 226.280 0.558 20 0 BCADLO OC1(C(F)F)C[NH+](CC[C@@H]2CCOC2)C1 ZINC000425344533 386855748 /nfs/dbraw/zinc/85/57/48/386855748.db2.gz CUBTWXQIAIVGTQ-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C=O)c[nH]1 ZINC000293667157 386856110 /nfs/dbraw/zinc/85/61/10/386856110.db2.gz ZFFXOXSFADSCMR-VIFPVBQESA-N 1 2 246.270 0.842 20 0 BCADLO CN1CC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000330705837 386859929 /nfs/dbraw/zinc/85/99/29/386859929.db2.gz SOPXPEROCJEMOX-UHFFFAOYSA-N 1 2 222.248 0.167 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000293690954 386860612 /nfs/dbraw/zinc/86/06/12/386860612.db2.gz WHMFUPULGSMSRF-CHWSQXEVSA-N 1 2 244.298 0.563 20 0 BCADLO CCOCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357947388 386870283 /nfs/dbraw/zinc/87/02/83/386870283.db2.gz LNGROXQPTGJXJQ-UHFFFAOYSA-N 1 2 236.275 0.973 20 0 BCADLO COC1(CC(=O)NCc2[nH+]ccn2C)CCC1 ZINC000331602160 386874780 /nfs/dbraw/zinc/87/47/80/386874780.db2.gz NZHXCPZCGZFMIX-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(F)C1 ZINC000334835680 386876112 /nfs/dbraw/zinc/87/61/12/386876112.db2.gz RPYRSIWBPQIATL-SQLBVSGCSA-N 1 2 244.310 0.714 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(F)C1 ZINC000334835680 386876117 /nfs/dbraw/zinc/87/61/17/386876117.db2.gz RPYRSIWBPQIATL-SQLBVSGCSA-N 1 2 244.310 0.714 20 0 BCADLO COC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330755028 386878770 /nfs/dbraw/zinc/87/87/70/386878770.db2.gz FSJRWLYYNYOXIO-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO COC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330755028 386878775 /nfs/dbraw/zinc/87/87/75/386878775.db2.gz FSJRWLYYNYOXIO-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CC(C)(O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000330774102 386881230 /nfs/dbraw/zinc/88/12/30/386881230.db2.gz GJAYBGHRHGMBRZ-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CC(C)(O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000330774102 386881239 /nfs/dbraw/zinc/88/12/39/386881239.db2.gz GJAYBGHRHGMBRZ-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CCS(=O)(=O)CCN(C)c1cc(C)[nH+]cn1 ZINC000301836269 386881623 /nfs/dbraw/zinc/88/16/23/386881623.db2.gz LTXOXLZUHDPGPT-UHFFFAOYSA-N 1 2 243.332 0.656 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC[C@H](C)F)CCOC1 ZINC000336744888 386883008 /nfs/dbraw/zinc/88/30/08/386883008.db2.gz AAJSPOOKNMHOSS-WCBMZHEXSA-N 1 2 219.256 0.656 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncc(C)n1C ZINC000341335121 386883026 /nfs/dbraw/zinc/88/30/26/386883026.db2.gz MZVBLLXRTBFAJU-JTQLQIEISA-N 1 2 238.335 0.685 20 0 BCADLO CCN(C)C(=O)[C@H](C)NCc1[nH+]cc(C)n1C ZINC000341335121 386883029 /nfs/dbraw/zinc/88/30/29/386883029.db2.gz MZVBLLXRTBFAJU-JTQLQIEISA-N 1 2 238.335 0.685 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000330729250 386883929 /nfs/dbraw/zinc/88/39/29/386883929.db2.gz HPFCKLVEIICDMF-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335758920 386886435 /nfs/dbraw/zinc/88/64/35/386886435.db2.gz LPDVQXZHPGPQQA-QMMMGPOBSA-N 1 2 223.276 0.497 20 0 BCADLO C[C@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335758920 386886443 /nfs/dbraw/zinc/88/64/43/386886443.db2.gz LPDVQXZHPGPQQA-QMMMGPOBSA-N 1 2 223.276 0.497 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331740796 386888032 /nfs/dbraw/zinc/88/80/32/386888032.db2.gz ANSVUSCXCLRMFE-NKWVEPMBSA-N 1 2 226.280 0.413 20 0 BCADLO Cc1noc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)n1 ZINC000330796856 386890373 /nfs/dbraw/zinc/89/03/73/386890373.db2.gz AIEBIPZLNSBNAL-WPRPVWTQSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1noc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)n1 ZINC000330796856 386890379 /nfs/dbraw/zinc/89/03/79/386890379.db2.gz AIEBIPZLNSBNAL-WPRPVWTQSA-N 1 2 241.291 0.350 20 0 BCADLO COC[C@H]([NH2+]Cc1nc(C)no1)[C@@H]1CCCO1 ZINC000330797966 386890914 /nfs/dbraw/zinc/89/09/14/386890914.db2.gz BELJBNZBCDDHMU-UWVGGRQHSA-N 1 2 241.291 0.662 20 0 BCADLO C[C@H](C(=O)NC1CC(C)(F)C1)[NH+]1CCOCC1 ZINC000334861035 386914073 /nfs/dbraw/zinc/91/40/73/386914073.db2.gz AMLASSUIHIKOOU-GRZMOONWSA-N 1 2 244.310 0.714 20 0 BCADLO Cn1cc(C[N@H+](C)CCOCC2CC2)nn1 ZINC000341571040 386918397 /nfs/dbraw/zinc/91/83/97/386918397.db2.gz XKSSGYADOVFPTQ-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOCC2CC2)nn1 ZINC000341571040 386918401 /nfs/dbraw/zinc/91/84/01/386918401.db2.gz XKSSGYADOVFPTQ-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000330817568 386896790 /nfs/dbraw/zinc/89/67/90/386896790.db2.gz DRPUNMBDTDCSQJ-CMPLNLGQSA-N 1 2 237.303 0.957 20 0 BCADLO CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000334850959 386900404 /nfs/dbraw/zinc/90/04/04/386900404.db2.gz FBABDJVEJOAWTF-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cncc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000302109216 386904634 /nfs/dbraw/zinc/90/46/34/386904634.db2.gz OTGOPGPOUOKYPJ-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO COC[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000358181280 386909489 /nfs/dbraw/zinc/90/94/89/386909489.db2.gz CODOUKSFGKWIID-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO CN(C)c1nccnc1NCc1[nH+]ccn1C ZINC000302171308 386911142 /nfs/dbraw/zinc/91/11/42/386911142.db2.gz AJYPZBXJFVOQRK-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334859972 386913148 /nfs/dbraw/zinc/91/31/48/386913148.db2.gz RNYHWNWDFBCXFS-JTQLQIEISA-N 1 2 227.283 0.899 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334859972 386913151 /nfs/dbraw/zinc/91/31/51/386913151.db2.gz RNYHWNWDFBCXFS-JTQLQIEISA-N 1 2 227.283 0.899 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000367960419 386920874 /nfs/dbraw/zinc/92/08/74/386920874.db2.gz ZIANSPCBQQDPCW-YUSALJHKSA-N 1 2 249.314 0.851 20 0 BCADLO COCc1noc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000367956785 386921511 /nfs/dbraw/zinc/92/15/11/386921511.db2.gz MRDDANHJNMUBMG-SECBINFHSA-N 1 2 241.291 0.684 20 0 BCADLO COCc1noc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000367956785 386921514 /nfs/dbraw/zinc/92/15/14/386921514.db2.gz MRDDANHJNMUBMG-SECBINFHSA-N 1 2 241.291 0.684 20 0 BCADLO CC(F)(F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367964644 386924061 /nfs/dbraw/zinc/92/40/61/386924061.db2.gz WFSDGACGIHEYHJ-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO COC[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302558813 386927358 /nfs/dbraw/zinc/92/73/58/386927358.db2.gz MEUGJBMSTDNNCQ-LURJTMIESA-N 1 2 236.279 0.392 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@@](C)(CC)C(=O)OC ZINC000352894089 386931543 /nfs/dbraw/zinc/93/15/43/386931543.db2.gz QUFFYMSYIHBBQT-LBPRGKRZSA-N 1 2 244.335 0.786 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CC1CCC1 ZINC000329425064 386932939 /nfs/dbraw/zinc/93/29/39/386932939.db2.gz ISEIBPMZKTYIMH-UHFFFAOYSA-N 1 2 243.332 0.640 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000335834028 386933748 /nfs/dbraw/zinc/93/37/48/386933748.db2.gz IZINAFAMRYSNAP-MEDUHNTESA-N 1 2 241.360 0.644 20 0 BCADLO Cc1cnn(CC[N@H+]2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000335834028 386933749 /nfs/dbraw/zinc/93/37/49/386933749.db2.gz IZINAFAMRYSNAP-MEDUHNTESA-N 1 2 241.360 0.644 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335835011 386934068 /nfs/dbraw/zinc/93/40/68/386934068.db2.gz BHJNPAPMEHZLSP-SECBINFHSA-N 1 2 207.277 0.924 20 0 BCADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331986705 386937799 /nfs/dbraw/zinc/93/77/99/386937799.db2.gz GMQMCFLQAQMYQU-BDAKNGLRSA-N 1 2 237.259 0.225 20 0 BCADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331986705 386937803 /nfs/dbraw/zinc/93/78/03/386937803.db2.gz GMQMCFLQAQMYQU-BDAKNGLRSA-N 1 2 237.259 0.225 20 0 BCADLO Cn1cc(C(=O)Nc2cc[nH+]cc2O)ccc1=O ZINC000358354038 386938672 /nfs/dbraw/zinc/93/86/72/386938672.db2.gz MXPAVCXSYUFZOU-UHFFFAOYSA-N 1 2 245.238 0.160 20 0 BCADLO COC[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000358362063 386940895 /nfs/dbraw/zinc/94/08/95/386940895.db2.gz WUTJGLNXIPMVEG-MRVPVSSYSA-N 1 2 224.260 0.820 20 0 BCADLO Nc1c(NCCCCO)[nH+]cnc1-n1cccn1 ZINC000302855490 386941782 /nfs/dbraw/zinc/94/17/82/386941782.db2.gz LEUDZMQOBNWPLQ-UHFFFAOYSA-N 1 2 248.290 0.429 20 0 BCADLO COC[C@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000336762870 386942989 /nfs/dbraw/zinc/94/29/89/386942989.db2.gz OFQRKTKBTWJZHO-VIFPVBQESA-N 1 2 233.333 0.660 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]21 ZINC000334817828 386944547 /nfs/dbraw/zinc/94/45/47/386944547.db2.gz KLRBLEJQEDPODO-NWDGAFQWSA-N 1 2 236.315 0.638 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]21 ZINC000334817828 386944553 /nfs/dbraw/zinc/94/45/53/386944553.db2.gz KLRBLEJQEDPODO-NWDGAFQWSA-N 1 2 236.315 0.638 20 0 BCADLO CO[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000331013488 386946109 /nfs/dbraw/zinc/94/61/09/386946109.db2.gz SWVQWILRFNHWQJ-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCOCC1 ZINC000368234908 386953207 /nfs/dbraw/zinc/95/32/07/386953207.db2.gz FLXATKFUNMMGKW-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO COCC(C)(C)C[NH+]1CC(O)(C(F)F)C1 ZINC000425351756 386961523 /nfs/dbraw/zinc/96/15/23/386961523.db2.gz VQYFLJOAKXZLQD-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000341818875 386966424 /nfs/dbraw/zinc/96/64/24/386966424.db2.gz JBUYMCUVXJNRIB-QWRGUYRKSA-N 1 2 237.303 0.645 20 0 BCADLO Cc1c[nH]cc(C(=O)NCc2c[nH+]c[nH]2)c1=O ZINC000358510517 386968521 /nfs/dbraw/zinc/96/85/21/386968521.db2.gz RSYKOYPMGWVEAK-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO Cc1c[nH]cc(C(=O)NCc2c[nH]c[nH+]2)c1=O ZINC000358510517 386968526 /nfs/dbraw/zinc/96/85/26/386968526.db2.gz RSYKOYPMGWVEAK-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO Cc1c[nH]cc(C(=O)NCCc2[nH]cc[nH+]2)c1=O ZINC000358505647 386968887 /nfs/dbraw/zinc/96/88/87/386968887.db2.gz FUQXMNFFNRYCDJ-UHFFFAOYSA-N 1 2 246.270 0.379 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191524621 386969606 /nfs/dbraw/zinc/96/96/06/386969606.db2.gz SOXIWMBROLQQOG-MFKMUULPSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191524621 386969609 /nfs/dbraw/zinc/96/96/09/386969609.db2.gz SOXIWMBROLQQOG-MFKMUULPSA-N 1 2 236.315 0.972 20 0 BCADLO CCN1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)CC1=O ZINC000334901908 386975857 /nfs/dbraw/zinc/97/58/57/386975857.db2.gz YLAWTEOSMNGOFQ-MRVPVSSYSA-N 1 2 236.275 0.069 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCSc1ncnn1C ZINC000191570040 386976001 /nfs/dbraw/zinc/97/60/01/386976001.db2.gz UAABHRPGNOHAPM-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H]1COCC[N@H+]1CCSc1ncnn1C ZINC000191570040 386976008 /nfs/dbraw/zinc/97/60/08/386976008.db2.gz UAABHRPGNOHAPM-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO CO[C@H](C)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332404107 386976228 /nfs/dbraw/zinc/97/62/28/386976228.db2.gz LFKCPGYJKIDOTI-BBBLOLIVSA-N 1 2 240.307 0.601 20 0 BCADLO CO[C@H](C)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332404107 386976233 /nfs/dbraw/zinc/97/62/33/386976233.db2.gz LFKCPGYJKIDOTI-BBBLOLIVSA-N 1 2 240.307 0.601 20 0 BCADLO C[C@@H](C(=O)Nc1cc[nH+]cc1O)n1cncn1 ZINC000352969122 386976421 /nfs/dbraw/zinc/97/64/21/386976421.db2.gz RDTQCMMTCKQLOC-ZETCQYMHSA-N 1 2 233.231 0.000 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)CCCO)[nH]1 ZINC000331168220 386980964 /nfs/dbraw/zinc/98/09/64/386980964.db2.gz HGBJZLIEVSJBBX-UHFFFAOYSA-N 1 2 212.297 0.742 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)CCCO)[nH]1 ZINC000331168220 386980967 /nfs/dbraw/zinc/98/09/67/386980967.db2.gz HGBJZLIEVSJBBX-UHFFFAOYSA-N 1 2 212.297 0.742 20 0 BCADLO C[N@H+](Cc1ncccn1)[C@]1(CO)CCOC1 ZINC000331132584 386983251 /nfs/dbraw/zinc/98/32/51/386983251.db2.gz BRVADONENBJAMW-NSHDSACASA-N 1 2 223.276 0.060 20 0 BCADLO C[N@@H+](Cc1ncccn1)[C@]1(CO)CCOC1 ZINC000331132584 386983252 /nfs/dbraw/zinc/98/32/52/386983252.db2.gz BRVADONENBJAMW-NSHDSACASA-N 1 2 223.276 0.060 20 0 BCADLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)o1 ZINC000358593968 386984938 /nfs/dbraw/zinc/98/49/38/386984938.db2.gz BQCNXOALLLEGIU-UHFFFAOYSA-N 1 2 244.316 0.572 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000395203305 386985194 /nfs/dbraw/zinc/98/51/94/386985194.db2.gz SKJNKRHMZSGHLU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000395203305 386985196 /nfs/dbraw/zinc/98/51/96/386985196.db2.gz SKJNKRHMZSGHLU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccn(C)n1 ZINC000331184312 386985917 /nfs/dbraw/zinc/98/59/17/386985917.db2.gz TXWPEVXEMBRQIK-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccn(C)n1 ZINC000331184312 386985921 /nfs/dbraw/zinc/98/59/21/386985921.db2.gz TXWPEVXEMBRQIK-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000331274603 386993536 /nfs/dbraw/zinc/99/35/36/386993536.db2.gz BNUGSSIHZOLOAZ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000331274603 386993543 /nfs/dbraw/zinc/99/35/43/386993543.db2.gz BNUGSSIHZOLOAZ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CO[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000368626491 386993972 /nfs/dbraw/zinc/99/39/72/386993972.db2.gz DPGSXAODSYVONJ-VIFPVBQESA-N 1 2 223.276 0.650 20 0 BCADLO COc1nccnc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000331236034 386996229 /nfs/dbraw/zinc/99/62/29/386996229.db2.gz LWLYBNOIWIOZTL-VIFPVBQESA-N 1 2 236.275 0.985 20 0 BCADLO COc1nccnc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000331236034 386996233 /nfs/dbraw/zinc/99/62/33/386996233.db2.gz LWLYBNOIWIOZTL-VIFPVBQESA-N 1 2 236.275 0.985 20 0 BCADLO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368639759 386997715 /nfs/dbraw/zinc/99/77/15/386997715.db2.gz XNYZWSBGVFEDPD-MXWKQRLJSA-N 1 2 229.320 0.636 20 0 BCADLO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368639759 386997719 /nfs/dbraw/zinc/99/77/19/386997719.db2.gz XNYZWSBGVFEDPD-MXWKQRLJSA-N 1 2 229.320 0.636 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@](C)(O)C2)nn1 ZINC000332661923 386998108 /nfs/dbraw/zinc/99/81/08/386998108.db2.gz OTGLCUYAOHHYLZ-GFCCVEGCSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC[C@@](C)(O)C2)nn1 ZINC000332661923 386998112 /nfs/dbraw/zinc/99/81/12/386998112.db2.gz OTGLCUYAOHHYLZ-GFCCVEGCSA-N 1 2 238.335 0.990 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@H](O)C2(C)C)n1 ZINC000332684913 387001009 /nfs/dbraw/zinc/00/10/09/387001009.db2.gz IXURCTIRKGPHOU-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@H](O)C2(C)C)n1 ZINC000332684913 387001014 /nfs/dbraw/zinc/00/10/14/387001014.db2.gz IXURCTIRKGPHOU-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926755 387001236 /nfs/dbraw/zinc/00/12/36/387001236.db2.gz WWLBHKUAPRQOOV-NWDGAFQWSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926755 387001243 /nfs/dbraw/zinc/00/12/43/387001243.db2.gz WWLBHKUAPRQOOV-NWDGAFQWSA-N 1 2 238.331 0.861 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000332678229 387001808 /nfs/dbraw/zinc/00/18/08/387001808.db2.gz SGKVNGVHSATEJL-YIZRAAEISA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000332678229 387001812 /nfs/dbraw/zinc/00/18/12/387001812.db2.gz SGKVNGVHSATEJL-YIZRAAEISA-N 1 2 241.291 0.732 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@]2(C)CCCO)n1 ZINC000332696413 387004305 /nfs/dbraw/zinc/00/43/05/387004305.db2.gz WIHAVNUARDYWSU-LLVKDONJSA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@]2(C)CCCO)n1 ZINC000332696413 387004311 /nfs/dbraw/zinc/00/43/11/387004311.db2.gz WIHAVNUARDYWSU-LLVKDONJSA-N 1 2 239.323 0.337 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000332740567 387006051 /nfs/dbraw/zinc/00/60/51/387006051.db2.gz YYEZSIDYGZRWLV-SFYZADRCSA-N 1 2 243.332 0.892 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000332740567 387006056 /nfs/dbraw/zinc/00/60/56/387006056.db2.gz YYEZSIDYGZRWLV-SFYZADRCSA-N 1 2 243.332 0.892 20 0 BCADLO CC(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332736815 387006419 /nfs/dbraw/zinc/00/64/19/387006419.db2.gz YXSVFANMQADVSS-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO CC(C)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332736815 387006421 /nfs/dbraw/zinc/00/64/21/387006421.db2.gz YXSVFANMQADVSS-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000332740569 387006508 /nfs/dbraw/zinc/00/65/08/387006508.db2.gz YYEZSIDYGZRWLV-YUMQZZPRSA-N 1 2 243.332 0.892 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000332740569 387006510 /nfs/dbraw/zinc/00/65/10/387006510.db2.gz YYEZSIDYGZRWLV-YUMQZZPRSA-N 1 2 243.332 0.892 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](CC(F)F)CC[C@@H]12 ZINC000368242876 386951427 /nfs/dbraw/zinc/95/14/27/386951427.db2.gz RICCAOLMAHWXBS-RNFRBKRXSA-N 1 2 204.220 0.319 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](CC(F)F)CC[C@@H]12 ZINC000368242876 386951432 /nfs/dbraw/zinc/95/14/32/386951432.db2.gz RICCAOLMAHWXBS-RNFRBKRXSA-N 1 2 204.220 0.319 20 0 BCADLO C[N@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425380186 387032234 /nfs/dbraw/zinc/03/22/34/387032234.db2.gz CSVABQCIFOOJCC-UHFFFAOYSA-N 1 2 207.180 0.431 20 0 BCADLO C[N@@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425380186 387032238 /nfs/dbraw/zinc/03/22/38/387032238.db2.gz CSVABQCIFOOJCC-UHFFFAOYSA-N 1 2 207.180 0.431 20 0 BCADLO CCOc1ncnc2c1C[N@H+](C[C@@H](C)O)CC2 ZINC000369388145 387040994 /nfs/dbraw/zinc/04/09/94/387040994.db2.gz FJCUQXWYOWCQCU-SECBINFHSA-N 1 2 237.303 0.614 20 0 BCADLO CCOc1ncnc2c1C[N@@H+](C[C@@H](C)O)CC2 ZINC000369388145 387040998 /nfs/dbraw/zinc/04/09/98/387040998.db2.gz FJCUQXWYOWCQCU-SECBINFHSA-N 1 2 237.303 0.614 20 0 BCADLO c1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000108952949 387048905 /nfs/dbraw/zinc/04/89/05/387048905.db2.gz GJCNCSMYMWTNND-LLVKDONJSA-N 1 2 234.303 0.752 20 0 BCADLO c1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000108952949 387048913 /nfs/dbraw/zinc/04/89/13/387048913.db2.gz GJCNCSMYMWTNND-LLVKDONJSA-N 1 2 234.303 0.752 20 0 BCADLO CCC1(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000333713966 387052085 /nfs/dbraw/zinc/05/20/85/387052085.db2.gz GXSBIJYMLPHBNO-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO CCC1(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000333713966 387052091 /nfs/dbraw/zinc/05/20/91/387052091.db2.gz GXSBIJYMLPHBNO-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)s1 ZINC000331297702 387009132 /nfs/dbraw/zinc/00/91/32/387009132.db2.gz UONXHBJNPPVURS-JGVFFNPUSA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)s1 ZINC000331297702 387009138 /nfs/dbraw/zinc/00/91/38/387009138.db2.gz UONXHBJNPPVURS-JGVFFNPUSA-N 1 2 245.348 0.410 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)CCCO)n1C ZINC000331294174 387010003 /nfs/dbraw/zinc/01/00/03/387010003.db2.gz LZHGRLXDVJXZPL-UHFFFAOYSA-N 1 2 226.324 0.753 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)CCCO)n1C ZINC000331294174 387010006 /nfs/dbraw/zinc/01/00/06/387010006.db2.gz LZHGRLXDVJXZPL-UHFFFAOYSA-N 1 2 226.324 0.753 20 0 BCADLO O=[S@@]1CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000333008308 387012289 /nfs/dbraw/zinc/01/22/89/387012289.db2.gz FHHOJFWIOUPDCF-VVVCHXIZSA-N 1 2 247.323 0.985 20 0 BCADLO CCn1cc(C[NH+]2CC(C)(C(=O)OC)C2)cn1 ZINC000425374349 387014356 /nfs/dbraw/zinc/01/43/56/387014356.db2.gz PPBFVGARRYMWRA-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)on1 ZINC000368822893 387015200 /nfs/dbraw/zinc/01/52/00/387015200.db2.gz LTCYIFDRHRBHCC-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)on1 ZINC000368822893 387015204 /nfs/dbraw/zinc/01/52/04/387015204.db2.gz LTCYIFDRHRBHCC-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000331362214 387019191 /nfs/dbraw/zinc/01/91/91/387019191.db2.gz ZYYRINIPBZXTRS-YUMQZZPRSA-N 1 2 240.307 0.915 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000331362214 387019194 /nfs/dbraw/zinc/01/91/94/387019194.db2.gz ZYYRINIPBZXTRS-YUMQZZPRSA-N 1 2 240.307 0.915 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000358836423 387020711 /nfs/dbraw/zinc/02/07/11/387020711.db2.gz XOXGXCSXWNHHIN-XPUUQOCRSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000358836423 387020714 /nfs/dbraw/zinc/02/07/14/387020714.db2.gz XOXGXCSXWNHHIN-XPUUQOCRSA-N 1 2 213.306 0.802 20 0 BCADLO CCCCOCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358831683 387021161 /nfs/dbraw/zinc/02/11/61/387021161.db2.gz QCKYPLQXZOGUND-SNVBAGLBSA-N 1 2 246.376 0.706 20 0 BCADLO CCCCOCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358831683 387021163 /nfs/dbraw/zinc/02/11/63/387021163.db2.gz QCKYPLQXZOGUND-SNVBAGLBSA-N 1 2 246.376 0.706 20 0 BCADLO COc1cc(C[N@@H+]2CCCN(C)C(=O)C2)ccn1 ZINC000369043609 387026611 /nfs/dbraw/zinc/02/66/11/387026611.db2.gz BFVMRZXRGICVQK-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1cc(C[N@H+]2CCCN(C)C(=O)C2)ccn1 ZINC000369043609 387026613 /nfs/dbraw/zinc/02/66/13/387026613.db2.gz BFVMRZXRGICVQK-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2conc2C)C1 ZINC000425370005 387026937 /nfs/dbraw/zinc/02/69/37/387026937.db2.gz BVSLUFJJGKYBRE-UHFFFAOYSA-N 1 2 224.260 0.978 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336236489 387073675 /nfs/dbraw/zinc/07/36/75/387073675.db2.gz PLBKYXNNYGOYEE-SNVBAGLBSA-N 1 2 222.292 0.012 20 0 BCADLO Cc1cnn(CC[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336236489 387073684 /nfs/dbraw/zinc/07/36/84/387073684.db2.gz PLBKYXNNYGOYEE-SNVBAGLBSA-N 1 2 222.292 0.012 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000066563161 387085921 /nfs/dbraw/zinc/08/59/21/387085921.db2.gz PJMYJYCXWUMTDG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000066563161 387085923 /nfs/dbraw/zinc/08/59/23/387085923.db2.gz PJMYJYCXWUMTDG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000066563160 387086841 /nfs/dbraw/zinc/08/68/41/387086841.db2.gz PJMYJYCXWUMTDG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000066563160 387086844 /nfs/dbraw/zinc/08/68/44/387086844.db2.gz PJMYJYCXWUMTDG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO Cc1c(Cl)c(C[N@@H+]2CC[C@H](O)C2)nn1C ZINC000334996399 387088461 /nfs/dbraw/zinc/08/84/61/387088461.db2.gz YDIIRPSJDCWNML-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO Cc1c(Cl)c(C[N@H+]2CC[C@H](O)C2)nn1C ZINC000334996399 387088467 /nfs/dbraw/zinc/08/84/67/387088467.db2.gz YDIIRPSJDCWNML-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](F)C2)C1=O ZINC000336259540 387089173 /nfs/dbraw/zinc/08/91/73/387089173.db2.gz KKWDIFPQDOFYNB-QMMMGPOBSA-N 1 2 243.282 0.361 20 0 BCADLO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](F)C2)C1=O ZINC000336259540 387089177 /nfs/dbraw/zinc/08/91/77/387089177.db2.gz KKWDIFPQDOFYNB-QMMMGPOBSA-N 1 2 243.282 0.361 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259601 387089242 /nfs/dbraw/zinc/08/92/42/387089242.db2.gz NKXXQCCIRDAYGM-YUMQZZPRSA-N 1 2 200.257 0.697 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](F)C1 ZINC000336259601 387089246 /nfs/dbraw/zinc/08/92/46/387089246.db2.gz NKXXQCCIRDAYGM-YUMQZZPRSA-N 1 2 200.257 0.697 20 0 BCADLO COCC(C)(C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418080922 387089410 /nfs/dbraw/zinc/08/94/10/387089410.db2.gz FBTXSSAAQUINJL-UHFFFAOYSA-N 1 2 235.349 0.388 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000336259813 387089560 /nfs/dbraw/zinc/08/95/60/387089560.db2.gz UWTAHTWPXZXTKJ-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000336259813 387089565 /nfs/dbraw/zinc/08/95/65/387089565.db2.gz UWTAHTWPXZXTKJ-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259800 387089714 /nfs/dbraw/zinc/08/97/14/387089714.db2.gz UPGHFJRVFMCPOO-HTQZYQBOSA-N 1 2 243.282 0.407 20 0 BCADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259800 387089720 /nfs/dbraw/zinc/08/97/20/387089720.db2.gz UPGHFJRVFMCPOO-HTQZYQBOSA-N 1 2 243.282 0.407 20 0 BCADLO COCC[NH+](CCOC)Cc1nnc(C)o1 ZINC000066862012 387092631 /nfs/dbraw/zinc/09/26/31/387092631.db2.gz KJUDHIVGDJDXDF-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO CC[C@@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418085494 387094524 /nfs/dbraw/zinc/09/45/24/387094524.db2.gz WAMAFWOBEXOQTL-MRVPVSSYSA-N 1 2 205.323 0.761 20 0 BCADLO COCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186383312 387100096 /nfs/dbraw/zinc/10/00/96/387100096.db2.gz WLKWIYMWAWHJKJ-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336269663 387104929 /nfs/dbraw/zinc/10/49/29/387104929.db2.gz UCXMWBWWOVMUAB-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336269663 387104932 /nfs/dbraw/zinc/10/49/32/387104932.db2.gz UCXMWBWWOVMUAB-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)CCc1cnccn1 ZINC000359601212 387131878 /nfs/dbraw/zinc/13/18/78/387131878.db2.gz SIDGVGLHINANHH-LBPRGKRZSA-N 1 2 249.314 0.903 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)CCc1cnccn1 ZINC000359601212 387131879 /nfs/dbraw/zinc/13/18/79/387131879.db2.gz SIDGVGLHINANHH-LBPRGKRZSA-N 1 2 249.314 0.903 20 0 BCADLO Cn1cnnc1C[N@H+](C)Cc1ccc(CO)cc1 ZINC000336791850 387132021 /nfs/dbraw/zinc/13/20/21/387132021.db2.gz PHYNEOBQJQDEDB-UHFFFAOYSA-N 1 2 246.314 0.939 20 0 BCADLO Cn1cnnc1C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000336791850 387132026 /nfs/dbraw/zinc/13/20/26/387132026.db2.gz PHYNEOBQJQDEDB-UHFFFAOYSA-N 1 2 246.314 0.939 20 0 BCADLO COC(=O)[C@]1([NH2+]CCCCF)CCOC1 ZINC000336766696 387115718 /nfs/dbraw/zinc/11/57/18/387115718.db2.gz RVKLDWOWRYCXOO-JTQLQIEISA-N 1 2 219.256 0.658 20 0 BCADLO NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186644536 387118746 /nfs/dbraw/zinc/11/87/46/387118746.db2.gz TXNWTKNWLMZRDI-ZDUSSCGKSA-N 1 2 232.283 0.603 20 0 BCADLO NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186644536 387118750 /nfs/dbraw/zinc/11/87/50/387118750.db2.gz TXNWTKNWLMZRDI-ZDUSSCGKSA-N 1 2 232.283 0.603 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370490135 387122438 /nfs/dbraw/zinc/12/24/38/387122438.db2.gz GBEZRFCLEVRMQP-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000370490135 387122444 /nfs/dbraw/zinc/12/24/44/387122444.db2.gz GBEZRFCLEVRMQP-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H](O)C1 ZINC000370491372 387122738 /nfs/dbraw/zinc/12/27/38/387122738.db2.gz LMNNCOANDHWDJK-ZJUUUORDSA-N 1 2 249.314 0.813 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000336293758 387124022 /nfs/dbraw/zinc/12/40/22/387124022.db2.gz GMUSNQVICGVDMD-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000336293758 387124026 /nfs/dbraw/zinc/12/40/26/387124026.db2.gz GMUSNQVICGVDMD-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO Cc1cnn(CC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000359691152 387146250 /nfs/dbraw/zinc/14/62/50/387146250.db2.gz IGXHXFARUIJIMK-UHFFFAOYSA-N 1 2 233.275 0.274 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1ccncc1 ZINC000187008070 387152762 /nfs/dbraw/zinc/15/27/62/387152762.db2.gz ITMXZJHPWPFTKC-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1ccncc1 ZINC000187008070 387152766 /nfs/dbraw/zinc/15/27/66/387152766.db2.gz ITMXZJHPWPFTKC-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO FC(F)CN1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000418127697 387155853 /nfs/dbraw/zinc/15/58/53/387155853.db2.gz AEWPIKMHGAGCTG-SECBINFHSA-N 1 2 230.262 0.839 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000353201867 387156493 /nfs/dbraw/zinc/15/64/93/387156493.db2.gz NUKLOSBZYFZFRB-VIFPVBQESA-N 1 2 241.339 0.895 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000353201867 387156497 /nfs/dbraw/zinc/15/64/97/387156497.db2.gz NUKLOSBZYFZFRB-VIFPVBQESA-N 1 2 241.339 0.895 20 0 BCADLO COc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)on1 ZINC000359801060 387165443 /nfs/dbraw/zinc/16/54/43/387165443.db2.gz RHKFHPAEYDUWRJ-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO COc1cc(C(=O)NCc2[nH+]ccn2C)on1 ZINC000359810370 387167517 /nfs/dbraw/zinc/16/75/17/387167517.db2.gz QRSGTCNSPIAYHH-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO CC[N@H+](CC(=O)OC)CC1=CCCOC1 ZINC000353285284 387174485 /nfs/dbraw/zinc/17/44/85/387174485.db2.gz HEZATZYJRBBOPZ-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CC[N@@H+](CC(=O)OC)CC1=CCCOC1 ZINC000353285284 387174487 /nfs/dbraw/zinc/17/44/87/387174487.db2.gz HEZATZYJRBBOPZ-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(C)n1 ZINC000359894736 387186125 /nfs/dbraw/zinc/18/61/25/387186125.db2.gz CXDZNVUOMLWKSI-CYBMUJFWSA-N 1 2 236.315 0.892 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(C)n1 ZINC000359894736 387186131 /nfs/dbraw/zinc/18/61/31/387186131.db2.gz CXDZNVUOMLWKSI-CYBMUJFWSA-N 1 2 236.315 0.892 20 0 BCADLO Cc1ccoc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000336357897 387187935 /nfs/dbraw/zinc/18/79/35/387187935.db2.gz WZPAKHKIVSTJHQ-UHFFFAOYSA-N 1 2 238.287 0.225 20 0 BCADLO CCOC[C@@H](O)C[N@H+](CC)Cc1cn(C)nn1 ZINC000359639938 387138054 /nfs/dbraw/zinc/13/80/54/387138054.db2.gz URMWJCKMSMLSPB-NSHDSACASA-N 1 2 242.323 0.034 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000359639938 387138056 /nfs/dbraw/zinc/13/80/56/387138056.db2.gz URMWJCKMSMLSPB-NSHDSACASA-N 1 2 242.323 0.034 20 0 BCADLO CN(C)c1cc(NC(=O)c2cn[nH]n2)cc[nH+]1 ZINC000359634209 387138569 /nfs/dbraw/zinc/13/85/69/387138569.db2.gz ALRVWVWDROVLOC-UHFFFAOYSA-N 1 2 232.247 0.518 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)[C@H]1CCOC1)C2 ZINC000370744974 387138652 /nfs/dbraw/zinc/13/86/52/387138652.db2.gz LTVNIUDMPFDKGP-VIFPVBQESA-N 1 2 235.287 0.341 20 0 BCADLO C[N@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCNC1=O ZINC000336358457 387202860 /nfs/dbraw/zinc/20/28/60/387202860.db2.gz LCORVBHTZWDAOZ-NSHDSACASA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCNC1=O ZINC000336358457 387202867 /nfs/dbraw/zinc/20/28/67/387202867.db2.gz LCORVBHTZWDAOZ-NSHDSACASA-N 1 2 244.298 0.883 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000359987954 387206937 /nfs/dbraw/zinc/20/69/37/387206937.db2.gz WYNDPJYHXFCLKU-GHMZBOCLSA-N 1 2 239.319 0.918 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000290038900 387210668 /nfs/dbraw/zinc/21/06/68/387210668.db2.gz FRKKXIAAMDZNLJ-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO COCc1nc(C[N@H+](C)CC2(O)CCC2)no1 ZINC000353482345 387213190 /nfs/dbraw/zinc/21/31/90/387213190.db2.gz LXWMGBAFBUHUOU-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@@H+](C)CC2(O)CCC2)no1 ZINC000353482345 387213191 /nfs/dbraw/zinc/21/31/91/387213191.db2.gz LXWMGBAFBUHUOU-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccccc2)n1C ZINC000063002564 387221427 /nfs/dbraw/zinc/22/14/27/387221427.db2.gz LOYLJRHYAHMAME-LBPRGKRZSA-N 1 2 246.314 0.947 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H]2F)C1 ZINC000424625834 387225055 /nfs/dbraw/zinc/22/50/55/387225055.db2.gz LJVCANAJRFPEDR-YWVKMMECSA-N 1 2 230.283 0.181 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H]2F)C1 ZINC000424625834 387225059 /nfs/dbraw/zinc/22/50/59/387225059.db2.gz LJVCANAJRFPEDR-YWVKMMECSA-N 1 2 230.283 0.181 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000230015823 387226560 /nfs/dbraw/zinc/22/65/60/387226560.db2.gz LANDJIYBMRJLAX-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000230015823 387226566 /nfs/dbraw/zinc/22/65/66/387226566.db2.gz LANDJIYBMRJLAX-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO Cn1nnc(C[N@H+](C)CC[C@H]2CCCO2)n1 ZINC000572101806 387231723 /nfs/dbraw/zinc/23/17/23/387231723.db2.gz ZDPZISOVSZGXPD-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnc(C[N@@H+](C)CC[C@H]2CCCO2)n1 ZINC000572101806 387231728 /nfs/dbraw/zinc/23/17/28/387231728.db2.gz ZDPZISOVSZGXPD-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000120382303 387235005 /nfs/dbraw/zinc/23/50/05/387235005.db2.gz JBGKVJAFUBJNFA-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000120382303 387235008 /nfs/dbraw/zinc/23/50/08/387235008.db2.gz JBGKVJAFUBJNFA-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccon1)CC2 ZINC000371707152 387240898 /nfs/dbraw/zinc/24/08/98/387240898.db2.gz NDEYYSFBAUOFTJ-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360200634 387242567 /nfs/dbraw/zinc/24/25/67/387242567.db2.gz XTWVIVFXVRQTGJ-ZJUUUORDSA-N 1 2 239.319 0.987 20 0 BCADLO CO[C@@](C)(C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000360199538 387243401 /nfs/dbraw/zinc/24/34/01/387243401.db2.gz QUKHRUGAJDNUMZ-GFCCVEGCSA-N 1 2 237.303 0.884 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C1CC(O)C1 ZINC000571894451 387195438 /nfs/dbraw/zinc/19/54/38/387195438.db2.gz JCLFWEBSNCIHFE-UHFFFAOYSA-N 1 2 224.264 0.027 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C1CC(O)C1 ZINC000571894451 387195441 /nfs/dbraw/zinc/19/54/41/387195441.db2.gz JCLFWEBSNCIHFE-UHFFFAOYSA-N 1 2 224.264 0.027 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364645 387198418 /nfs/dbraw/zinc/19/84/18/387198418.db2.gz OTPNXJIXDFKJMI-BDAKNGLRSA-N 1 2 237.303 0.808 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364645 387198421 /nfs/dbraw/zinc/19/84/21/387198421.db2.gz OTPNXJIXDFKJMI-BDAKNGLRSA-N 1 2 237.303 0.808 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nncn1C ZINC000514948844 387311768 /nfs/dbraw/zinc/31/17/68/387311768.db2.gz AUNJDYFQEOCIKD-ZETCQYMHSA-N 1 2 234.263 0.356 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nncn1C ZINC000514948844 387311771 /nfs/dbraw/zinc/31/17/71/387311771.db2.gz AUNJDYFQEOCIKD-ZETCQYMHSA-N 1 2 234.263 0.356 20 0 BCADLO CO[C@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000360594701 387316340 /nfs/dbraw/zinc/31/63/40/387316340.db2.gz JAFPLYDCTPIRIB-MRVPVSSYSA-N 1 2 224.260 0.963 20 0 BCADLO C[C@H](CF)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360593140 387316602 /nfs/dbraw/zinc/31/66/02/387316602.db2.gz FCJSMRVEOXUEBQ-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000371984996 387262549 /nfs/dbraw/zinc/26/25/49/387262549.db2.gz DEWXZKSJWDBSMZ-QMMMGPOBSA-N 1 2 223.232 0.311 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000371984996 387262556 /nfs/dbraw/zinc/26/25/56/387262556.db2.gz DEWXZKSJWDBSMZ-QMMMGPOBSA-N 1 2 223.232 0.311 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@]12CCOC2 ZINC000372058345 387269701 /nfs/dbraw/zinc/26/97/01/387269701.db2.gz PTHDBNXOYHPRHI-SKDRFNHKSA-N 1 2 235.287 0.463 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000353824363 387280273 /nfs/dbraw/zinc/28/02/73/387280273.db2.gz BGCOVUAZNUZHLD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000353824363 387280276 /nfs/dbraw/zinc/28/02/76/387280276.db2.gz BGCOVUAZNUZHLD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncn(C)n1 ZINC000514739885 387283687 /nfs/dbraw/zinc/28/36/87/387283687.db2.gz WQRLGMQGKGEKSX-SSDOTTSWSA-N 1 2 234.263 0.356 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ncn(C)n1 ZINC000514739885 387283693 /nfs/dbraw/zinc/28/36/93/387283693.db2.gz WQRLGMQGKGEKSX-SSDOTTSWSA-N 1 2 234.263 0.356 20 0 BCADLO C[C@@H]1[N@H+](Cc2cnnn2C)CCOC1(C)C ZINC000353868514 387286546 /nfs/dbraw/zinc/28/65/46/387286546.db2.gz PJRYXEHPWBSFMS-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1[N@@H+](Cc2cnnn2C)CCOC1(C)C ZINC000353868514 387286550 /nfs/dbraw/zinc/28/65/50/387286550.db2.gz PJRYXEHPWBSFMS-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372339850 387291768 /nfs/dbraw/zinc/29/17/68/387291768.db2.gz WYYDICXMGNNCBO-MWLCHTKSSA-N 1 2 240.303 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372339850 387291771 /nfs/dbraw/zinc/29/17/71/387291771.db2.gz WYYDICXMGNNCBO-MWLCHTKSSA-N 1 2 240.303 0.102 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000514899229 387303462 /nfs/dbraw/zinc/30/34/62/387303462.db2.gz OIOKLSYADCJAPF-MXQLGCADSA-N 1 2 223.276 0.326 20 0 BCADLO O=C1CCN(C[NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000372465766 387304141 /nfs/dbraw/zinc/30/41/41/387304141.db2.gz XAPJVPKCKHVAPD-LLVKDONJSA-N 1 2 248.330 0.479 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cncnc1 ZINC000515309181 387358288 /nfs/dbraw/zinc/35/82/88/387358288.db2.gz BNDOYUQOBIHJRE-UHFFFAOYSA-N 1 2 231.259 0.623 20 0 BCADLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([NH3+])C1=O ZINC000515307977 387360388 /nfs/dbraw/zinc/36/03/88/387360388.db2.gz DFHHXOZTFRQTJN-CBAPKCEASA-N 1 2 219.244 0.229 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nncn2C)C1 ZINC000572386882 387373192 /nfs/dbraw/zinc/37/31/92/387373192.db2.gz PRDLAOJWJAZKCD-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nncn2C)C1 ZINC000572386882 387373196 /nfs/dbraw/zinc/37/31/96/387373196.db2.gz PRDLAOJWJAZKCD-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000360965183 387374646 /nfs/dbraw/zinc/37/46/46/387374646.db2.gz CHLSUDJJHRMADU-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000360965183 387374649 /nfs/dbraw/zinc/37/46/49/387374649.db2.gz CHLSUDJJHRMADU-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO COC1([C@H](C)NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000515515653 387384848 /nfs/dbraw/zinc/38/48/48/387384848.db2.gz XDPQNYJIBBLQAB-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000515419966 387379868 /nfs/dbraw/zinc/37/98/68/387379868.db2.gz YVIANYRPQUHSCU-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO OCC(CO)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000515070141 387332312 /nfs/dbraw/zinc/33/23/12/387332312.db2.gz ZPTHYBFXTVWYJN-UHFFFAOYSA-N 1 2 241.291 0.170 20 0 BCADLO CC(C)(O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372890654 387333975 /nfs/dbraw/zinc/33/39/75/387333975.db2.gz JCROCTOOOGNRGM-VIFPVBQESA-N 1 2 237.303 0.887 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cocn1 ZINC000572342860 387334181 /nfs/dbraw/zinc/33/41/81/387334181.db2.gz ROFILXILMJSKPY-GDPRMGEGSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cocn1 ZINC000572342860 387334189 /nfs/dbraw/zinc/33/41/89/387334189.db2.gz ROFILXILMJSKPY-GDPRMGEGSA-N 1 2 235.287 0.760 20 0 BCADLO COc1ncccc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000373238342 387348641 /nfs/dbraw/zinc/34/86/41/387348641.db2.gz ZIHQGIZUZAWXSL-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ncccc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000373238342 387348644 /nfs/dbraw/zinc/34/86/44/387348644.db2.gz ZIHQGIZUZAWXSL-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO O=C(COC(F)F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000354235832 387348938 /nfs/dbraw/zinc/34/89/38/387348938.db2.gz GTOGNHBVOPVZKP-ZCFIWIBFSA-N 1 2 245.229 0.622 20 0 BCADLO O=C(COC(F)F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000354235832 387348944 /nfs/dbraw/zinc/34/89/44/387348944.db2.gz GTOGNHBVOPVZKP-ZCFIWIBFSA-N 1 2 245.229 0.622 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@](O)(C2CC2)C1 ZINC000373239540 387349882 /nfs/dbraw/zinc/34/98/82/387349882.db2.gz DGVLMOZWCLSPAO-CYBMUJFWSA-N 1 2 249.314 0.647 20 0 BCADLO C[N@@H+](Cc1cnccn1)C[C@@H](O)C(F)(F)F ZINC000121439393 387351080 /nfs/dbraw/zinc/35/10/80/387351080.db2.gz ADBPUMLNMWZZAB-MRVPVSSYSA-N 1 2 235.209 0.832 20 0 BCADLO C[N@H+](Cc1cnccn1)C[C@@H](O)C(F)(F)F ZINC000121439393 387351083 /nfs/dbraw/zinc/35/10/83/387351083.db2.gz ADBPUMLNMWZZAB-MRVPVSSYSA-N 1 2 235.209 0.832 20 0 BCADLO CCn1cncc1C[N@H+](C)CCNC(C)=O ZINC000515235909 387352518 /nfs/dbraw/zinc/35/25/18/387352518.db2.gz OJBGLBRLDQXFAH-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1cncc1C[N@@H+](C)CCNC(C)=O ZINC000515235909 387352521 /nfs/dbraw/zinc/35/25/21/387352521.db2.gz OJBGLBRLDQXFAH-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1c[nH+]cc1CN(C)CCNC(C)=O ZINC000515235909 387352524 /nfs/dbraw/zinc/35/25/24/387352524.db2.gz OJBGLBRLDQXFAH-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352661926 387426982 /nfs/dbraw/zinc/42/69/82/387426982.db2.gz VQCLCFFABDHFNT-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352661926 387426986 /nfs/dbraw/zinc/42/69/86/387426986.db2.gz VQCLCFFABDHFNT-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000515864495 387430394 /nfs/dbraw/zinc/43/03/94/387430394.db2.gz FGJHAJPUUGJUIY-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@H+]1CCn2nncc2C1 ZINC000515864495 387430399 /nfs/dbraw/zinc/43/03/99/387430399.db2.gz FGJHAJPUUGJUIY-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccn[nH]3)C2)cn1 ZINC000374248146 387436034 /nfs/dbraw/zinc/43/60/34/387436034.db2.gz VKEQBMHATNJJSX-LLVKDONJSA-N 1 2 246.318 0.512 20 0 BCADLO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000423862891 387439071 /nfs/dbraw/zinc/43/90/71/387439071.db2.gz GUYHXEYDHHRWLW-YIZRAAEISA-N 1 2 248.273 0.667 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000354861880 387439051 /nfs/dbraw/zinc/43/90/51/387439051.db2.gz HLXGYLHHWIYINV-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000354861880 387439055 /nfs/dbraw/zinc/43/90/55/387439055.db2.gz HLXGYLHHWIYINV-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCO ZINC000374312633 387440984 /nfs/dbraw/zinc/44/09/84/387440984.db2.gz VZJKGSFVMWFIRX-JTQLQIEISA-N 1 2 225.292 0.392 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCO ZINC000374312633 387440989 /nfs/dbraw/zinc/44/09/89/387440989.db2.gz VZJKGSFVMWFIRX-JTQLQIEISA-N 1 2 225.292 0.392 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000374340494 387446107 /nfs/dbraw/zinc/44/61/07/387446107.db2.gz KJYYONHASLJGSB-VIFPVBQESA-N 1 2 245.286 0.773 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000374340494 387446108 /nfs/dbraw/zinc/44/61/08/387446108.db2.gz KJYYONHASLJGSB-VIFPVBQESA-N 1 2 245.286 0.773 20 0 BCADLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000162606644 387447523 /nfs/dbraw/zinc/44/75/23/387447523.db2.gz QGCKTDQESVRDRB-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000162606644 387447529 /nfs/dbraw/zinc/44/75/29/387447529.db2.gz QGCKTDQESVRDRB-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO CC(=O)[C@@H](NC(=O)C[N@H+](C)CCCO)C(C)C ZINC000304188345 387448350 /nfs/dbraw/zinc/44/83/50/387448350.db2.gz QATYXKPKZGKHLI-LBPRGKRZSA-N 1 2 244.335 0.030 20 0 BCADLO CC(=O)[C@@H](NC(=O)C[N@@H+](C)CCCO)C(C)C ZINC000304188345 387448352 /nfs/dbraw/zinc/44/83/52/387448352.db2.gz QATYXKPKZGKHLI-LBPRGKRZSA-N 1 2 244.335 0.030 20 0 BCADLO CCCn1cc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000162490792 387386121 /nfs/dbraw/zinc/38/61/21/387386121.db2.gz QWDDMUDIMYTWKJ-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000162490792 387386125 /nfs/dbraw/zinc/38/61/25/387386125.db2.gz QWDDMUDIMYTWKJ-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCO ZINC000082784278 387389371 /nfs/dbraw/zinc/38/93/71/387389371.db2.gz NRYGWPOQOSESQX-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCO ZINC000082784278 387389377 /nfs/dbraw/zinc/38/93/77/387389377.db2.gz NRYGWPOQOSESQX-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOc2ccncc21 ZINC000515543308 387394321 /nfs/dbraw/zinc/39/43/21/387394321.db2.gz LXMACNZAQXXMDQ-UHFFFAOYSA-N 1 2 244.254 0.704 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)(C)O)C2 ZINC000373785282 387397119 /nfs/dbraw/zinc/39/71/19/387397119.db2.gz CJJGGOUPXGSTJP-SECBINFHSA-N 1 2 237.303 0.393 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303796491 387399554 /nfs/dbraw/zinc/39/95/54/387399554.db2.gz CKQKDCUUEODUTR-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303796491 387399558 /nfs/dbraw/zinc/39/95/58/387399558.db2.gz CKQKDCUUEODUTR-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000354655596 387410836 /nfs/dbraw/zinc/41/08/36/387410836.db2.gz GSODCDINRWOQEN-ZETCQYMHSA-N 1 2 239.275 0.534 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H]2CCC[C@@H]2O)n1 ZINC000352657813 387423124 /nfs/dbraw/zinc/42/31/24/387423124.db2.gz HDHNUHAQGBEXEV-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)n1 ZINC000352657813 387423125 /nfs/dbraw/zinc/42/31/25/387423125.db2.gz HDHNUHAQGBEXEV-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352803922 387493610 /nfs/dbraw/zinc/49/36/10/387493610.db2.gz OVZNWDGYXQZTGB-GARJFASQSA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352803922 387493614 /nfs/dbraw/zinc/49/36/14/387493614.db2.gz OVZNWDGYXQZTGB-GARJFASQSA-N 1 2 245.319 0.266 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1snnc1C ZINC000516297656 387498156 /nfs/dbraw/zinc/49/81/56/387498156.db2.gz JANLRZMIFZPBDE-UHFFFAOYSA-N 1 2 228.321 0.414 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1snnc1C ZINC000516297656 387498160 /nfs/dbraw/zinc/49/81/60/387498160.db2.gz JANLRZMIFZPBDE-UHFFFAOYSA-N 1 2 228.321 0.414 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000374989040 387503751 /nfs/dbraw/zinc/50/37/51/387503751.db2.gz PIGQBFPXHFRSNW-JTQLQIEISA-N 1 2 238.291 0.306 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000374989040 387503757 /nfs/dbraw/zinc/50/37/57/387503757.db2.gz PIGQBFPXHFRSNW-JTQLQIEISA-N 1 2 238.291 0.306 20 0 BCADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cn[nH]c1 ZINC000355264784 387507951 /nfs/dbraw/zinc/50/79/51/387507951.db2.gz NJOQHJPJPXGITP-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000361614852 387511163 /nfs/dbraw/zinc/51/11/63/387511163.db2.gz HVOHPOSODJNYTH-LLVKDONJSA-N 1 2 246.318 0.886 20 0 BCADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nnnn1C ZINC000361614852 387511167 /nfs/dbraw/zinc/51/11/67/387511167.db2.gz HVOHPOSODJNYTH-LLVKDONJSA-N 1 2 246.318 0.886 20 0 BCADLO COc1ncnc2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000111212047 387543540 /nfs/dbraw/zinc/54/35/40/387543540.db2.gz GZXSRNZCAVDKTM-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ccoc1 ZINC000355291150 387514378 /nfs/dbraw/zinc/51/43/78/387514378.db2.gz MITZZYFIOIBQHQ-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000516495844 387517003 /nfs/dbraw/zinc/51/70/03/387517003.db2.gz RSANFBNFNQFQGQ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000516495844 387517005 /nfs/dbraw/zinc/51/70/05/387517005.db2.gz RSANFBNFNQFQGQ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000527182347 387519206 /nfs/dbraw/zinc/51/92/06/387519206.db2.gz FHBSQVGURNRCLU-OPRDCNLKSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000527182347 387519212 /nfs/dbraw/zinc/51/92/12/387519212.db2.gz FHBSQVGURNRCLU-OPRDCNLKSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000527182344 387519619 /nfs/dbraw/zinc/51/96/19/387519619.db2.gz FHBSQVGURNRCLU-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000527182344 387519624 /nfs/dbraw/zinc/51/96/24/387519624.db2.gz FHBSQVGURNRCLU-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO CC[C@@H]1COCCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192721765 387525364 /nfs/dbraw/zinc/52/53/64/387525364.db2.gz VENOGXOEJQZNQK-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1COCCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192721765 387525367 /nfs/dbraw/zinc/52/53/67/387525367.db2.gz VENOGXOEJQZNQK-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1C ZINC000310152258 387533494 /nfs/dbraw/zinc/53/34/94/387533494.db2.gz HXWGBMHPAAFHSW-SNVBAGLBSA-N 1 2 238.335 0.716 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1C ZINC000310152258 387533496 /nfs/dbraw/zinc/53/34/96/387533496.db2.gz HXWGBMHPAAFHSW-SNVBAGLBSA-N 1 2 238.335 0.716 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000527219175 387539171 /nfs/dbraw/zinc/53/91/71/387539171.db2.gz NHTQSWJNJZWMEE-MRVPVSSYSA-N 1 2 200.257 0.699 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000527219175 387539176 /nfs/dbraw/zinc/53/91/76/387539176.db2.gz NHTQSWJNJZWMEE-MRVPVSSYSA-N 1 2 200.257 0.699 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000527219176 387539550 /nfs/dbraw/zinc/53/95/50/387539550.db2.gz NHTQSWJNJZWMEE-QMMMGPOBSA-N 1 2 200.257 0.699 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000527219176 387539551 /nfs/dbraw/zinc/53/95/51/387539551.db2.gz NHTQSWJNJZWMEE-QMMMGPOBSA-N 1 2 200.257 0.699 20 0 BCADLO COCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426118781 387539933 /nfs/dbraw/zinc/53/99/33/387539933.db2.gz YTZBDVRKGGOAQP-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO COCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426118781 387539940 /nfs/dbraw/zinc/53/99/40/387539940.db2.gz YTZBDVRKGGOAQP-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC[N@H+](CCCO)[C@H](C)c1nnnn1C1CC1 ZINC000361833187 387541159 /nfs/dbraw/zinc/54/11/59/387541159.db2.gz MUGRDNVNIBHCST-SECBINFHSA-N 1 2 239.323 0.773 20 0 BCADLO CC[N@@H+](CCCO)[C@H](C)c1nnnn1C1CC1 ZINC000361833187 387541161 /nfs/dbraw/zinc/54/11/61/387541161.db2.gz MUGRDNVNIBHCST-SECBINFHSA-N 1 2 239.323 0.773 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000084679345 387463356 /nfs/dbraw/zinc/46/33/56/387463356.db2.gz GDNNMGPBJGOZJF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000084679345 387463359 /nfs/dbraw/zinc/46/33/59/387463359.db2.gz GDNNMGPBJGOZJF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCN(C[C@H](C)O)C(=O)NCc1[nH+]ccn1C ZINC000352754323 387471781 /nfs/dbraw/zinc/47/17/81/387471781.db2.gz UECZRYVESZPOFK-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C[C@H]1C ZINC000352773331 387473162 /nfs/dbraw/zinc/47/31/62/387473162.db2.gz AZVGZCHKWMQTBP-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO CSCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355078707 387477338 /nfs/dbraw/zinc/47/73/38/387477338.db2.gz XMWFIFSOLLWNIG-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CSCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355078707 387477340 /nfs/dbraw/zinc/47/73/40/387477340.db2.gz XMWFIFSOLLWNIG-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355080600 387477397 /nfs/dbraw/zinc/47/73/97/387477397.db2.gz ZMBJYNYZWIVSJG-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355080600 387477401 /nfs/dbraw/zinc/47/74/01/387477401.db2.gz ZMBJYNYZWIVSJG-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)COCC1CC1)CC2 ZINC000374676770 387481299 /nfs/dbraw/zinc/48/12/99/387481299.db2.gz GTOYDQJWBJHJAT-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO C[C@H](NC(=O)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000355126985 387482762 /nfs/dbraw/zinc/48/27/62/387482762.db2.gz AGTFQXRICCFIGM-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000336633408 387485474 /nfs/dbraw/zinc/48/54/74/387485474.db2.gz FEBJPKNCLHWQBE-SECBINFHSA-N 1 2 249.314 0.952 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000336633408 387485479 /nfs/dbraw/zinc/48/54/79/387485479.db2.gz FEBJPKNCLHWQBE-SECBINFHSA-N 1 2 249.314 0.952 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)NC1CC1)CC2 ZINC000374709380 387486195 /nfs/dbraw/zinc/48/61/95/387486195.db2.gz IDKKTZQMPUCKKC-SNVBAGLBSA-N 1 2 248.330 0.674 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC=CCC1)[C@@H](C)O ZINC000191015769 387584108 /nfs/dbraw/zinc/58/41/08/387584108.db2.gz ANKAVTOJHQLJTR-VWYCJHECSA-N 1 2 227.304 0.855 20 0 BCADLO O=C1OCC[C@H]2CC[N@@H+](CCOCC(F)F)[C@@H]12 ZINC000376411004 387628535 /nfs/dbraw/zinc/62/85/35/387628535.db2.gz CJTRFRLUWNOLEH-PSASIEDQSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@H]2CC[N@H+](CCOCC(F)F)[C@@H]12 ZINC000376411004 387628540 /nfs/dbraw/zinc/62/85/40/387628540.db2.gz CJTRFRLUWNOLEH-PSASIEDQSA-N 1 2 249.257 0.906 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000375929723 387594160 /nfs/dbraw/zinc/59/41/60/387594160.db2.gz DCYAEFRBJSSLOO-SECBINFHSA-N 1 2 243.332 0.559 20 0 BCADLO C[N@H+](Cc1cncnc1)[C@@H]1CCCCNC1=O ZINC000123819747 387596113 /nfs/dbraw/zinc/59/61/13/387596113.db2.gz BVVQMBPCRPIQHF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO C[N@@H+](Cc1cncnc1)[C@@H]1CCCCNC1=O ZINC000123819747 387596118 /nfs/dbraw/zinc/59/61/18/387596118.db2.gz BVVQMBPCRPIQHF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC=CC1 ZINC000623758255 387628942 /nfs/dbraw/zinc/62/89/42/387628942.db2.gz UQSNPHWIKQJKRW-LLVKDONJSA-N 1 2 239.319 0.335 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC=CC1 ZINC000623758255 387628947 /nfs/dbraw/zinc/62/89/47/387628947.db2.gz UQSNPHWIKQJKRW-LLVKDONJSA-N 1 2 239.319 0.335 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000124039931 387603804 /nfs/dbraw/zinc/60/38/04/387603804.db2.gz BCHFNYLGFAZEFT-QWRGUYRKSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000124039931 387603808 /nfs/dbraw/zinc/60/38/08/387603808.db2.gz BCHFNYLGFAZEFT-QWRGUYRKSA-N 1 2 235.287 0.170 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2nnnn2C)CCS1 ZINC000362384446 387605634 /nfs/dbraw/zinc/60/56/34/387605634.db2.gz FSDDKJZSBQPXRX-SECBINFHSA-N 1 2 241.364 0.784 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2nnnn2C)CCS1 ZINC000362384446 387605641 /nfs/dbraw/zinc/60/56/41/387605641.db2.gz FSDDKJZSBQPXRX-SECBINFHSA-N 1 2 241.364 0.784 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)ccn1 ZINC000527538053 387607014 /nfs/dbraw/zinc/60/70/14/387607014.db2.gz BCKWLLOHVBIFGN-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)ccn1 ZINC000527538053 387607016 /nfs/dbraw/zinc/60/70/16/387607016.db2.gz BCKWLLOHVBIFGN-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)ccn1 ZINC000527539727 387609479 /nfs/dbraw/zinc/60/94/79/387609479.db2.gz MQZWGIIRUMMLFS-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)ccn1 ZINC000527539727 387609484 /nfs/dbraw/zinc/60/94/84/387609484.db2.gz MQZWGIIRUMMLFS-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000124337795 387612060 /nfs/dbraw/zinc/61/20/60/387612060.db2.gz JCEVBGJSCHYUGA-QJPTWQEYSA-N 1 2 249.314 0.503 20 0 BCADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccno3)[C@H]12 ZINC000376333231 387623140 /nfs/dbraw/zinc/62/31/40/387623140.db2.gz MZNFTQFYFVWDNS-SCZZXKLOSA-N 1 2 222.244 0.812 20 0 BCADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccno3)[C@H]12 ZINC000376333231 387623143 /nfs/dbraw/zinc/62/31/43/387623143.db2.gz MZNFTQFYFVWDNS-SCZZXKLOSA-N 1 2 222.244 0.812 20 0 BCADLO C[N@H+](Cc1ncccn1)CC1(CO)CC1 ZINC000361850197 387545257 /nfs/dbraw/zinc/54/52/57/387545257.db2.gz QASILQQUPHENES-UHFFFAOYSA-N 1 2 207.277 0.681 20 0 BCADLO C[N@@H+](Cc1ncccn1)CC1(CO)CC1 ZINC000361850197 387545261 /nfs/dbraw/zinc/54/52/61/387545261.db2.gz QASILQQUPHENES-UHFFFAOYSA-N 1 2 207.277 0.681 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@H]2CCO)no1 ZINC000426247278 387550922 /nfs/dbraw/zinc/55/09/22/387550922.db2.gz ALBFSZSSQILWLX-SECBINFHSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@H]2CCO)no1 ZINC000426247278 387550926 /nfs/dbraw/zinc/55/09/26/387550926.db2.gz ALBFSZSSQILWLX-SECBINFHSA-N 1 2 241.291 0.563 20 0 BCADLO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193488678 387555961 /nfs/dbraw/zinc/55/59/61/387555961.db2.gz HSRJUUUYPQRYCI-MWLCHTKSSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193488678 387555963 /nfs/dbraw/zinc/55/59/63/387555963.db2.gz HSRJUUUYPQRYCI-MWLCHTKSSA-N 1 2 239.323 0.193 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362058356 387565016 /nfs/dbraw/zinc/56/50/16/387565016.db2.gz UCGCJMYFKHARCH-DTWKUNHWSA-N 1 2 225.292 0.692 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362058356 387565024 /nfs/dbraw/zinc/56/50/24/387565024.db2.gz UCGCJMYFKHARCH-DTWKUNHWSA-N 1 2 225.292 0.692 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000362085495 387568404 /nfs/dbraw/zinc/56/84/04/387568404.db2.gz HHFNNDCKTUSDJA-GHMZBOCLSA-N 1 2 222.292 0.568 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000362085495 387568408 /nfs/dbraw/zinc/56/84/08/387568408.db2.gz HHFNNDCKTUSDJA-GHMZBOCLSA-N 1 2 222.292 0.568 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccncc2Cl)C1 ZINC000399838707 387572771 /nfs/dbraw/zinc/57/27/71/387572771.db2.gz FCHHSSJUWQBBDX-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000399838707 387572774 /nfs/dbraw/zinc/57/27/74/387572774.db2.gz FCHHSSJUWQBBDX-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193493772 387574203 /nfs/dbraw/zinc/57/42/03/387574203.db2.gz ZIQZPOKIELNYCE-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193493772 387574204 /nfs/dbraw/zinc/57/42/04/387574204.db2.gz ZIQZPOKIELNYCE-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C1CC1 ZINC000114928343 387576957 /nfs/dbraw/zinc/57/69/57/387576957.db2.gz RBRKOPBTZGZGQG-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000355754637 387577154 /nfs/dbraw/zinc/57/71/54/387577154.db2.gz YEPJJCQRPIAABU-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000527756498 387694349 /nfs/dbraw/zinc/69/43/49/387694349.db2.gz DXVNYXREHROEJY-UWVGGRQHSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362561613 387630322 /nfs/dbraw/zinc/63/03/22/387630322.db2.gz QDPNOIOLWHCFLM-SKDRFNHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362561613 387630328 /nfs/dbraw/zinc/63/03/28/387630328.db2.gz QDPNOIOLWHCFLM-SKDRFNHKSA-N 1 2 238.331 0.764 20 0 BCADLO Cc1cc(C[N@@H+]2CCn3cnnc3C2)ccn1 ZINC000527536352 387631805 /nfs/dbraw/zinc/63/18/05/387631805.db2.gz XTSQBWUGZDNNAG-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cc(C[N@H+]2CCn3cnnc3C2)ccn1 ZINC000527536352 387631806 /nfs/dbraw/zinc/63/18/06/387631806.db2.gz XTSQBWUGZDNNAG-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COC(=O)CCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356399887 387653710 /nfs/dbraw/zinc/65/37/10/387653710.db2.gz YVBTXZVCZIORKL-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)CCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356399887 387653714 /nfs/dbraw/zinc/65/37/14/387653714.db2.gz YVBTXZVCZIORKL-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@](C)(O)C1CCC1 ZINC000362763462 387656180 /nfs/dbraw/zinc/65/61/80/387656180.db2.gz SFPOWIKEYZNCSE-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO CN(C)c1ncc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000356465433 387662351 /nfs/dbraw/zinc/66/23/51/387662351.db2.gz XZCYNZOWZPMRBT-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440709204 387677226 /nfs/dbraw/zinc/67/72/26/387677226.db2.gz BAORXYPOGCQJCG-BDAKNGLRSA-N 1 2 238.328 0.358 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440709204 387677231 /nfs/dbraw/zinc/67/72/31/387677231.db2.gz BAORXYPOGCQJCG-BDAKNGLRSA-N 1 2 238.328 0.358 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915884 387678729 /nfs/dbraw/zinc/67/87/29/387678729.db2.gz VWKQVSPRMHSFRP-POYBYMJQSA-N 1 2 241.209 0.405 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915884 387678735 /nfs/dbraw/zinc/67/87/35/387678735.db2.gz VWKQVSPRMHSFRP-POYBYMJQSA-N 1 2 241.209 0.405 20 0 BCADLO Cc1nc(N[C@@H]2COCC2(C)C)nc(N)[nH+]1 ZINC000313064000 387679478 /nfs/dbraw/zinc/67/94/78/387679478.db2.gz QPHCCAMZAYGLES-SSDOTTSWSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2COCC2(C)C)[nH+]1 ZINC000313064000 387679483 /nfs/dbraw/zinc/67/94/83/387679483.db2.gz QPHCCAMZAYGLES-SSDOTTSWSA-N 1 2 223.280 0.599 20 0 BCADLO CCNS(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451928669 387681804 /nfs/dbraw/zinc/68/18/04/387681804.db2.gz FKLYCYCACGEOKH-QMMMGPOBSA-N 1 2 246.336 0.408 20 0 BCADLO CCn1ncc(C[NH2+]Cc2c(C)n[nH]c2C)n1 ZINC000527734019 387682297 /nfs/dbraw/zinc/68/22/97/387682297.db2.gz JPBLVVCTFLRKNJ-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000363018060 387685392 /nfs/dbraw/zinc/68/53/92/387685392.db2.gz MZSVVZZLHWVENH-SECBINFHSA-N 1 2 238.291 0.477 20 0 BCADLO COC[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440761629 387687348 /nfs/dbraw/zinc/68/73/48/387687348.db2.gz GLYINAVOAIWEDJ-SNVBAGLBSA-N 1 2 242.298 0.716 20 0 BCADLO COC[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440761629 387687352 /nfs/dbraw/zinc/68/73/52/387687352.db2.gz GLYINAVOAIWEDJ-SNVBAGLBSA-N 1 2 242.298 0.716 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440771066 387688369 /nfs/dbraw/zinc/68/83/69/387688369.db2.gz PTQVETFWQBELDH-VIFPVBQESA-N 1 2 228.271 0.468 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440771066 387688372 /nfs/dbraw/zinc/68/83/72/387688372.db2.gz PTQVETFWQBELDH-VIFPVBQESA-N 1 2 228.271 0.468 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000363037648 387688478 /nfs/dbraw/zinc/68/84/78/387688478.db2.gz KMHZJKZELMYNSG-VIFPVBQESA-N 1 2 245.286 0.431 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000363037648 387688483 /nfs/dbraw/zinc/68/84/83/387688483.db2.gz KMHZJKZELMYNSG-VIFPVBQESA-N 1 2 245.286 0.431 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440771064 387689900 /nfs/dbraw/zinc/68/99/00/387689900.db2.gz PTQVETFWQBELDH-SECBINFHSA-N 1 2 228.271 0.468 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440771064 387689904 /nfs/dbraw/zinc/68/99/04/387689904.db2.gz PTQVETFWQBELDH-SECBINFHSA-N 1 2 228.271 0.468 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)n1 ZINC000367724854 387745892 /nfs/dbraw/zinc/74/58/92/387745892.db2.gz HWFZXEVVHZMZFM-GHMZBOCLSA-N 1 2 222.292 0.568 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H]3OCC[C@H]32)n1 ZINC000367724854 387745898 /nfs/dbraw/zinc/74/58/98/387745898.db2.gz HWFZXEVVHZMZFM-GHMZBOCLSA-N 1 2 222.292 0.568 20 0 BCADLO C[C@@H](O)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000128864432 387756404 /nfs/dbraw/zinc/75/64/04/387756404.db2.gz ZKNMFDHPLTXNTI-SNVBAGLBSA-N 1 2 245.282 0.983 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000367248335 387749525 /nfs/dbraw/zinc/74/95/25/387749525.db2.gz ZXQUXBSMPXEBKY-VHSXEESVSA-N 1 2 237.303 0.285 20 0 BCADLO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccn[nH]3)C2)n1 ZINC000377797363 387750293 /nfs/dbraw/zinc/75/02/93/387750293.db2.gz VFZIHPMYOQWJFT-LLVKDONJSA-N 1 2 246.318 0.512 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000441353449 387750435 /nfs/dbraw/zinc/75/04/35/387750435.db2.gz ZNQZMOOXLPIHPP-HTQZYQBOSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000441353449 387750441 /nfs/dbraw/zinc/75/04/41/387750441.db2.gz ZNQZMOOXLPIHPP-HTQZYQBOSA-N 1 2 226.280 0.510 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](CO)C1CC1 ZINC000356943525 387752333 /nfs/dbraw/zinc/75/23/33/387752333.db2.gz BRDWBPNZQCJOLD-VIFPVBQESA-N 1 2 247.302 0.794 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)nc1 ZINC000441385972 387752832 /nfs/dbraw/zinc/75/28/32/387752832.db2.gz OJWBWCZGAHQBGQ-GXSJLCMTSA-N 1 2 234.303 0.399 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCC(C)=O)C[C@@H](C)O1 ZINC000123418309 387697971 /nfs/dbraw/zinc/69/79/71/387697971.db2.gz VPTIQNHQNDNRIL-NXEZZACHSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCC(C)=O)C[C@@H](C)O1 ZINC000123418309 387697977 /nfs/dbraw/zinc/69/79/77/387697977.db2.gz VPTIQNHQNDNRIL-NXEZZACHSA-N 1 2 229.276 0.228 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527759764 387698781 /nfs/dbraw/zinc/69/87/81/387698781.db2.gz VEOUCGNEUHCETD-QWRGUYRKSA-N 1 2 225.292 0.348 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000440790893 387699930 /nfs/dbraw/zinc/69/99/30/387699930.db2.gz MRMBWVFABFQSLT-ZJUUUORDSA-N 1 2 232.299 0.260 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440787948 387700355 /nfs/dbraw/zinc/70/03/55/387700355.db2.gz TZBQQZUSNXZLNZ-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440787948 387700361 /nfs/dbraw/zinc/70/03/61/387700361.db2.gz TZBQQZUSNXZLNZ-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO CC[C@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440787950 387700646 /nfs/dbraw/zinc/70/06/46/387700646.db2.gz TZBQQZUSNXZLNZ-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440787950 387700651 /nfs/dbraw/zinc/70/06/51/387700651.db2.gz TZBQQZUSNXZLNZ-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cccnc2)n1 ZINC000527738777 387705073 /nfs/dbraw/zinc/70/50/73/387705073.db2.gz ZRHDOKQWFXQOTI-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000431386942 387705335 /nfs/dbraw/zinc/70/53/35/387705335.db2.gz QESDQVJPLJNEKT-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000431386942 387705336 /nfs/dbraw/zinc/70/53/36/387705336.db2.gz QESDQVJPLJNEKT-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO Cn1ncc(C[NH+]2CCC(n3cccn3)CC2)n1 ZINC000377871976 387755208 /nfs/dbraw/zinc/75/52/08/387755208.db2.gz BMCBBBXOFIDRGM-UHFFFAOYSA-N 1 2 246.318 0.849 20 0 BCADLO COC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000452042694 387711876 /nfs/dbraw/zinc/71/18/76/387711876.db2.gz UPSMZMLVMYBRLG-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO COC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000452042694 387711882 /nfs/dbraw/zinc/71/18/82/387711882.db2.gz UPSMZMLVMYBRLG-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CCCCNC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000440953473 387716361 /nfs/dbraw/zinc/71/63/61/387716361.db2.gz FJAGGDNSPQYKHK-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000440953473 387716367 /nfs/dbraw/zinc/71/63/67/387716367.db2.gz FJAGGDNSPQYKHK-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO O=C(CC1CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127605479 387718876 /nfs/dbraw/zinc/71/88/76/387718876.db2.gz KFWRHYDOHPEDRK-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(CC1CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127605479 387718883 /nfs/dbraw/zinc/71/88/83/387718883.db2.gz KFWRHYDOHPEDRK-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377464684 387720798 /nfs/dbraw/zinc/72/07/98/387720798.db2.gz MGBTWPIYLKTCJA-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377498330 387723864 /nfs/dbraw/zinc/72/38/64/387723864.db2.gz PLGQZNVHIOPGDJ-MRVPVSSYSA-N 1 2 225.248 0.770 20 0 BCADLO COC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377498330 387723866 /nfs/dbraw/zinc/72/38/66/387723866.db2.gz PLGQZNVHIOPGDJ-MRVPVSSYSA-N 1 2 225.248 0.770 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(CC)CC ZINC000115576319 387724670 /nfs/dbraw/zinc/72/46/70/387724670.db2.gz TUNLPAHVUYCDNK-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(CC)CC ZINC000115576319 387724676 /nfs/dbraw/zinc/72/46/76/387724676.db2.gz TUNLPAHVUYCDNK-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO COC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000564015391 387728193 /nfs/dbraw/zinc/72/81/93/387728193.db2.gz OVHLBWICSDSTMA-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000367655586 387741087 /nfs/dbraw/zinc/74/10/87/387741087.db2.gz ZXQUXBSMPXEBKY-NXEZZACHSA-N 1 2 237.303 0.285 20 0 BCADLO CC(C)OC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424144631 387762665 /nfs/dbraw/zinc/76/26/65/387762665.db2.gz XQOJGDZGFIFMAE-QMMMGPOBSA-N 1 2 239.262 0.084 20 0 BCADLO CC[N@H+](CCC(=O)OC(C)C)CC(=O)OC ZINC000441493864 387764674 /nfs/dbraw/zinc/76/46/74/387764674.db2.gz UHFODMDDECMVGL-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO CC[N@@H+](CCC(=O)OC(C)C)CC(=O)OC ZINC000441493864 387764677 /nfs/dbraw/zinc/76/46/77/387764677.db2.gz UHFODMDDECMVGL-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO Cn1ccc(CC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000378109830 387764956 /nfs/dbraw/zinc/76/49/56/387764956.db2.gz QGFGULUJNZJVLY-UHFFFAOYSA-N 1 2 245.286 0.202 20 0 BCADLO CON(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378377068 387781938 /nfs/dbraw/zinc/78/19/38/387781938.db2.gz LHSGMBOQYMADCC-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](C)S(C)(=O)=O ZINC000527939254 387782287 /nfs/dbraw/zinc/78/22/87/387782287.db2.gz NBRBDZSDOIMAFM-QMMMGPOBSA-N 1 2 244.316 0.935 20 0 BCADLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)NC1CC1 ZINC000378431288 387783910 /nfs/dbraw/zinc/78/39/10/387783910.db2.gz FKEUXSYVEUFZOK-JTQLQIEISA-N 1 2 234.303 0.825 20 0 BCADLO CCC[C@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000378445122 387784975 /nfs/dbraw/zinc/78/49/75/387784975.db2.gz RRTLZWSIEYGHNT-JTQLQIEISA-N 1 2 238.335 0.834 20 0 BCADLO CCC[C@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000378445122 387784981 /nfs/dbraw/zinc/78/49/81/387784981.db2.gz RRTLZWSIEYGHNT-JTQLQIEISA-N 1 2 238.335 0.834 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527958197 387785299 /nfs/dbraw/zinc/78/52/99/387785299.db2.gz VDSRLOVXJJBOLE-XXILOJSOSA-N 1 2 239.319 0.909 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000359980140 387792077 /nfs/dbraw/zinc/79/20/77/387792077.db2.gz WUROLNQGOQYGOT-LLVKDONJSA-N 1 2 233.271 0.718 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000359980140 387792081 /nfs/dbraw/zinc/79/20/81/387792081.db2.gz WUROLNQGOQYGOT-LLVKDONJSA-N 1 2 233.271 0.718 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)o1 ZINC000193609653 387797330 /nfs/dbraw/zinc/79/73/30/387797330.db2.gz JWTWHGYXPRCJIX-GMSGAONNSA-N 1 2 223.276 0.597 20 0 BCADLO c1[nH]c(CN2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193740275 387801272 /nfs/dbraw/zinc/80/12/72/387801272.db2.gz DBNGZYXMDMGGQE-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO c1[nH]cc(CN2CCOC[C@]23CCOC3)[nH+]1 ZINC000193740275 387801277 /nfs/dbraw/zinc/80/12/77/387801277.db2.gz DBNGZYXMDMGGQE-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccnn1 ZINC000527986045 387801321 /nfs/dbraw/zinc/80/13/21/387801321.db2.gz PEARMPBREVVSBL-VIFPVBQESA-N 1 2 231.259 0.492 20 0 BCADLO CC[C@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000193756227 387804931 /nfs/dbraw/zinc/80/49/31/387804931.db2.gz QHCFYHRZCDDKOT-ZETCQYMHSA-N 1 2 221.264 0.639 20 0 BCADLO Cn1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)n1 ZINC000309501402 387809670 /nfs/dbraw/zinc/80/96/70/387809670.db2.gz LSDIGVYZWFBZIL-UHFFFAOYSA-N 1 2 245.348 0.333 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000356979761 387760162 /nfs/dbraw/zinc/76/01/62/387760162.db2.gz FIACVOVXRJUDBY-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000356979761 387760167 /nfs/dbraw/zinc/76/01/67/387760167.db2.gz FIACVOVXRJUDBY-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC000645844846 387823644 /nfs/dbraw/zinc/82/36/44/387823644.db2.gz QLYAULXPGNYCNJ-PSASIEDQSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC000645844846 387823650 /nfs/dbraw/zinc/82/36/50/387823650.db2.gz QLYAULXPGNYCNJ-PSASIEDQSA-N 1 2 236.319 0.505 20 0 BCADLO CCOCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000442756930 387834000 /nfs/dbraw/zinc/83/40/00/387834000.db2.gz WBEJHZIHJBORGA-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CCCCc1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000061709206 387844628 /nfs/dbraw/zinc/84/46/28/387844628.db2.gz VYQOFKXHSJNCKH-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCCCc1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000061709206 387844633 /nfs/dbraw/zinc/84/46/33/387844633.db2.gz VYQOFKXHSJNCKH-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CC[C@H](NC(=O)C1CC(=O)C1)c1[nH]cc[nH+]1 ZINC000442803719 387844659 /nfs/dbraw/zinc/84/46/59/387844659.db2.gz USHZSRCINHHLSK-VIFPVBQESA-N 1 2 221.260 0.956 20 0 BCADLO CO[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424162415 387844777 /nfs/dbraw/zinc/84/47/77/387844777.db2.gz CRRSPVWAMKVUGG-HTQZYQBOSA-N 1 2 236.262 0.382 20 0 BCADLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC000582579851 387851701 /nfs/dbraw/zinc/85/17/01/387851701.db2.gz RDBOHNFIGDTFHO-QWRGUYRKSA-N 1 2 237.303 0.767 20 0 BCADLO C[C@H]1CC[S@](=O)CCN1Cc1c[nH+]cn1C ZINC000433028020 387852520 /nfs/dbraw/zinc/85/25/20/387852520.db2.gz AXKMNOFRTINZAT-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000442882691 387855758 /nfs/dbraw/zinc/85/57/58/387855758.db2.gz AXFDSGMIGIEZEC-LBPRGKRZSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000442882691 387855768 /nfs/dbraw/zinc/85/57/68/387855768.db2.gz AXFDSGMIGIEZEC-LBPRGKRZSA-N 1 2 228.336 0.966 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000452568828 387859558 /nfs/dbraw/zinc/85/95/58/387859558.db2.gz CHSYSHHHHMMIBR-WCQGTBRESA-N 1 2 249.314 0.944 20 0 BCADLO COC(C[N@@H+]1CCOC[C@@]12CCOC2)OC ZINC000193713259 387861369 /nfs/dbraw/zinc/86/13/69/387861369.db2.gz ZGATWYIHBKALNS-NSHDSACASA-N 1 2 231.292 0.097 20 0 BCADLO COC(C[N@H+]1CCOC[C@@]12CCOC2)OC ZINC000193713259 387861373 /nfs/dbraw/zinc/86/13/73/387861373.db2.gz ZGATWYIHBKALNS-NSHDSACASA-N 1 2 231.292 0.097 20 0 BCADLO COC(C[N@@H+]1CCOC[C@]12CCOC2)OC ZINC000193713272 387862811 /nfs/dbraw/zinc/86/28/11/387862811.db2.gz ZGATWYIHBKALNS-LLVKDONJSA-N 1 2 231.292 0.097 20 0 BCADLO COC(C[N@H+]1CCOC[C@]12CCOC2)OC ZINC000193713272 387862815 /nfs/dbraw/zinc/86/28/15/387862815.db2.gz ZGATWYIHBKALNS-LLVKDONJSA-N 1 2 231.292 0.097 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC000648712389 387874519 /nfs/dbraw/zinc/87/45/19/387874519.db2.gz ZUJKYZSJBPOUQO-UHFFFAOYSA-N 1 2 249.318 0.391 20 0 BCADLO CC/C=C\CNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000452604471 387870117 /nfs/dbraw/zinc/87/01/17/387870117.db2.gz BBTILTXVMIDBER-WYGGZMRJSA-N 1 2 226.320 0.790 20 0 BCADLO Cn1cncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000236076012 387872281 /nfs/dbraw/zinc/87/22/81/387872281.db2.gz IBAXXXMRQFPNMR-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)CC(F)F ZINC000444627964 387895898 /nfs/dbraw/zinc/89/58/98/387895898.db2.gz RULWAENICDHLJZ-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)CC(F)F ZINC000444627964 387895904 /nfs/dbraw/zinc/89/59/04/387895904.db2.gz RULWAENICDHLJZ-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO CCC[C@@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000448693760 387875800 /nfs/dbraw/zinc/87/58/00/387875800.db2.gz GLBWGCFYKMYEDG-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727509 387917821 /nfs/dbraw/zinc/91/78/21/387917821.db2.gz KIYHDNVKJDPISN-XPUUQOCRSA-N 1 2 240.225 0.107 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727509 387917823 /nfs/dbraw/zinc/91/78/23/387917823.db2.gz KIYHDNVKJDPISN-XPUUQOCRSA-N 1 2 240.225 0.107 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000444658296 387900336 /nfs/dbraw/zinc/90/03/36/387900336.db2.gz NDHKXVDMMHXSOG-LLVKDONJSA-N 1 2 241.335 0.639 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000444658296 387900338 /nfs/dbraw/zinc/90/03/38/387900338.db2.gz NDHKXVDMMHXSOG-LLVKDONJSA-N 1 2 241.335 0.639 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000429265377 387919266 /nfs/dbraw/zinc/91/92/66/387919266.db2.gz SLKVQZFFWDVKLU-UHFFFAOYSA-N 1 2 242.323 0.992 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000429265377 387919270 /nfs/dbraw/zinc/91/92/70/387919270.db2.gz SLKVQZFFWDVKLU-UHFFFAOYSA-N 1 2 242.323 0.992 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC1(F)F ZINC000448711669 387909710 /nfs/dbraw/zinc/90/97/10/387909710.db2.gz WSUSLSAJVKEMFW-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727507 387916922 /nfs/dbraw/zinc/91/69/22/387916922.db2.gz KIYHDNVKJDPISN-POYBYMJQSA-N 1 2 240.225 0.107 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727507 387916935 /nfs/dbraw/zinc/91/69/35/387916935.db2.gz KIYHDNVKJDPISN-POYBYMJQSA-N 1 2 240.225 0.107 20 0 BCADLO Cc1nc(N(CCO)C(C)C)nc(N(C)C)[nH+]1 ZINC000444827354 387933934 /nfs/dbraw/zinc/93/39/34/387933934.db2.gz INOKWEBWZMJIJW-UHFFFAOYSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(CCO)C(C)C)[nH+]1 ZINC000444827354 387933939 /nfs/dbraw/zinc/93/39/39/387933939.db2.gz INOKWEBWZMJIJW-UHFFFAOYSA-N 1 2 239.323 0.453 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CC=C(C)C ZINC000163742971 387935993 /nfs/dbraw/zinc/93/59/93/387935993.db2.gz WZNNFDPFKRWUGL-NXEZZACHSA-N 1 2 213.277 0.561 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CC=C(C)C ZINC000163742971 387935995 /nfs/dbraw/zinc/93/59/95/387935995.db2.gz WZNNFDPFKRWUGL-NXEZZACHSA-N 1 2 213.277 0.561 20 0 BCADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](O)C1 ZINC000245519480 387953088 /nfs/dbraw/zinc/95/30/88/387953088.db2.gz SGRRPWPJPNNRJG-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](O)C1 ZINC000245519480 387953095 /nfs/dbraw/zinc/95/30/95/387953095.db2.gz SGRRPWPJPNNRJG-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cscn1 ZINC000185183497 387953495 /nfs/dbraw/zinc/95/34/95/387953495.db2.gz IBIUVZAORRLTAT-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO COC[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000445651741 387955971 /nfs/dbraw/zinc/95/59/71/387955971.db2.gz DWNAPXQNJHJFHS-LLVKDONJSA-N 1 2 244.335 0.107 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccco1 ZINC000445712028 387959412 /nfs/dbraw/zinc/95/94/12/387959412.db2.gz NVVGNTJPPAWCKX-UHFFFAOYSA-N 1 2 230.289 0.264 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000158854973 387966576 /nfs/dbraw/zinc/96/65/76/387966576.db2.gz GOECIERUOAWTET-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000158854973 387966579 /nfs/dbraw/zinc/96/65/79/387966579.db2.gz GOECIERUOAWTET-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000245869122 387988641 /nfs/dbraw/zinc/98/86/41/387988641.db2.gz VFGCSKGOOZHKIO-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000245869122 387988643 /nfs/dbraw/zinc/98/86/43/387988643.db2.gz VFGCSKGOOZHKIO-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000446060979 387989074 /nfs/dbraw/zinc/98/90/74/387989074.db2.gz OGJMNPDPJGJEIM-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000446060979 387989078 /nfs/dbraw/zinc/98/90/78/387989078.db2.gz OGJMNPDPJGJEIM-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000243833598 135079701 /nfs/dbraw/zinc/07/97/01/135079701.db2.gz RAFFTCYPFSTKCG-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000243833598 135079702 /nfs/dbraw/zinc/07/97/02/135079702.db2.gz RAFFTCYPFSTKCG-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nn1C ZINC000330503653 177800322 /nfs/dbraw/zinc/80/03/22/177800322.db2.gz FUPBOBXVCLICPH-VIFPVBQESA-N 1 2 247.302 0.744 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246112850 388010501 /nfs/dbraw/zinc/01/05/01/388010501.db2.gz NUXNAENRCRJCGQ-WUHRBBMRSA-N 1 2 249.358 0.149 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249129260 388012940 /nfs/dbraw/zinc/01/29/40/388012940.db2.gz KQHFLGNRRWOTQP-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249129260 388012944 /nfs/dbraw/zinc/01/29/44/388012944.db2.gz KQHFLGNRRWOTQP-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO CCn1ccnc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000081902483 388014552 /nfs/dbraw/zinc/01/45/52/388014552.db2.gz BDYAWNHEHJEHTC-SECBINFHSA-N 1 2 245.348 0.426 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCOC ZINC000194429095 388020815 /nfs/dbraw/zinc/02/08/15/388020815.db2.gz KMRUMMJLIBOAFC-UHFFFAOYSA-N 1 2 207.237 0.514 20 0 BCADLO CCOC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000439977843 388027861 /nfs/dbraw/zinc/02/78/61/388027861.db2.gz OCSPAZWKZDYFDH-VIFPVBQESA-N 1 2 243.307 0.600 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000440540486 388053652 /nfs/dbraw/zinc/05/36/52/388053652.db2.gz XTYMXVFHCKJBCA-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000440540486 388053655 /nfs/dbraw/zinc/05/36/55/388053655.db2.gz XTYMXVFHCKJBCA-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000447307937 388059238 /nfs/dbraw/zinc/05/92/38/388059238.db2.gz YPKZYONVHLBTAR-ZYHUDNBSSA-N 1 2 247.310 0.958 20 0 BCADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000447307937 388059240 /nfs/dbraw/zinc/05/92/40/388059240.db2.gz YPKZYONVHLBTAR-ZYHUDNBSSA-N 1 2 247.310 0.958 20 0 BCADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000447307934 388063354 /nfs/dbraw/zinc/06/33/54/388063354.db2.gz YPKZYONVHLBTAR-CMPLNLGQSA-N 1 2 247.310 0.958 20 0 BCADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000447307934 388063358 /nfs/dbraw/zinc/06/33/58/388063358.db2.gz YPKZYONVHLBTAR-CMPLNLGQSA-N 1 2 247.310 0.958 20 0 BCADLO Cn1c[nH+]cc1Cn1ccc2ncncc2c1=O ZINC000447324899 388063888 /nfs/dbraw/zinc/06/38/88/388063888.db2.gz IPGLBGRNOIMJCY-UHFFFAOYSA-N 1 2 241.254 0.573 20 0 BCADLO CC(C)n1ncnc1C[N@H+](CCO)C1CC1 ZINC000083995451 388068188 /nfs/dbraw/zinc/06/81/88/388068188.db2.gz PWXPJEZTUUDWFD-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](CCO)C1CC1 ZINC000083995451 388068190 /nfs/dbraw/zinc/06/81/90/388068190.db2.gz PWXPJEZTUUDWFD-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ncn(C)n2)c[nH+]1 ZINC000440704350 388071054 /nfs/dbraw/zinc/07/10/54/388071054.db2.gz VERFVICZDACQJQ-LURJTMIESA-N 1 2 234.263 0.338 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C2(C(C)=O)CC2)C[C@H]1C ZINC000645899311 388078563 /nfs/dbraw/zinc/07/85/63/388078563.db2.gz HRQZSOQRHAEYAB-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)C2(C(C)=O)CC2)C[C@H]1C ZINC000645899311 388078565 /nfs/dbraw/zinc/07/85/65/388078565.db2.gz HRQZSOQRHAEYAB-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CC(C)n1nnnc1C[NH+]1CCC(O)CC1 ZINC000195024803 388083968 /nfs/dbraw/zinc/08/39/68/388083968.db2.gz JUPQSQLEXYCADD-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000645925418 388086245 /nfs/dbraw/zinc/08/62/45/388086245.db2.gz QBVCNJIORCOKFW-MRVPVSSYSA-N 1 2 238.291 0.131 20 0 BCADLO Cc1noc(CCC[N@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000645925418 388086248 /nfs/dbraw/zinc/08/62/48/388086248.db2.gz QBVCNJIORCOKFW-MRVPVSSYSA-N 1 2 238.291 0.131 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000119200502 388108807 /nfs/dbraw/zinc/10/88/07/388108807.db2.gz YVOOWAYRGVPCCC-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCN(C)C(=O)C1 ZINC000119200502 388108808 /nfs/dbraw/zinc/10/88/08/388108808.db2.gz YVOOWAYRGVPCCC-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CC[C@@](C)(C[NH2+]Cc1nnn(C)n1)OC ZINC000322925448 388108948 /nfs/dbraw/zinc/10/89/48/388108948.db2.gz MELNUJOOIJACOJ-VIFPVBQESA-N 1 2 213.285 0.115 20 0 BCADLO C[N@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000195175249 388109778 /nfs/dbraw/zinc/10/97/78/388109778.db2.gz NSKPAOCHXYMXSE-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[N@@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000195175249 388109780 /nfs/dbraw/zinc/10/97/80/388109780.db2.gz NSKPAOCHXYMXSE-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](F)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000454247393 388109938 /nfs/dbraw/zinc/10/99/38/388109938.db2.gz UCJFOGUKACOBQE-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)CC(N)=O)C(C)C ZINC000453319758 388045214 /nfs/dbraw/zinc/04/52/14/388045214.db2.gz NQRMLKDRSGVAMQ-ONGXEEELSA-N 1 2 244.335 0.816 20 0 BCADLO CCCc1csc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000446977374 388046614 /nfs/dbraw/zinc/04/66/14/388046614.db2.gz NKMPPCBEZSJXEB-UWVGGRQHSA-N 1 2 242.344 0.633 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000440517114 388048580 /nfs/dbraw/zinc/04/85/80/388048580.db2.gz VABGXTHBHYDSDS-NSHDSACASA-N 1 2 246.326 0.915 20 0 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CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000646044629 388130697 /nfs/dbraw/zinc/13/06/97/388130697.db2.gz IYHFCZCDNZJAOV-NBEYISGCSA-N 1 2 226.280 0.178 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1[nH+]ccn1C ZINC000646122850 388147899 /nfs/dbraw/zinc/14/78/99/388147899.db2.gz DXANUFQTMBZWDV-MRVPVSSYSA-N 1 2 208.265 0.040 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)[C@@H](C)CO ZINC000164897646 388248853 /nfs/dbraw/zinc/24/88/53/388248853.db2.gz WFZLFTAWGOVYKB-GUBZILKMSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000490731473 388250627 /nfs/dbraw/zinc/25/06/27/388250627.db2.gz ORJKHZXPPGCFGH-WPRPVWTQSA-N 1 2 242.298 0.497 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1ccn[nH]1 ZINC000165446567 388252397 /nfs/dbraw/zinc/25/23/97/388252397.db2.gz WFGLNYWLEIJJDH-JTQLQIEISA-N 1 2 213.281 0.287 20 0 BCADLO CCOC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000488795380 388195853 /nfs/dbraw/zinc/19/58/53/388195853.db2.gz FOIHWWPQJXRFNX-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO 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CC[C@]1(C)C[N@H+](CC(=O)N(C)C)CCO1 ZINC000135637160 388503625 /nfs/dbraw/zinc/50/36/25/388503625.db2.gz CJGNNVZKJUKIOF-LLVKDONJSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@]1(C)C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000135637160 388503627 /nfs/dbraw/zinc/50/36/27/388503627.db2.gz CJGNNVZKJUKIOF-LLVKDONJSA-N 1 2 214.309 0.576 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000548115009 388514759 /nfs/dbraw/zinc/51/47/59/388514759.db2.gz CZFGTKCVXQCIBK-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000548115009 388514761 /nfs/dbraw/zinc/51/47/61/388514761.db2.gz CZFGTKCVXQCIBK-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CC[C@](C)(CO)C(=O)N(C)Cc1[nH+]ccn1C ZINC000516980058 256809585 /nfs/dbraw/zinc/80/95/85/256809585.db2.gz VWLDTCFJLXXAQZ-GFCCVEGCSA-N 1 2 239.319 0.787 20 0 BCADLO CCc1ocnc1C(=O)NCCc1c[nH+]cn1C ZINC000548133046 388515934 /nfs/dbraw/zinc/51/59/34/388515934.db2.gz HMTGSVDVRAXUFX-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO Cc1ncncc1C(=O)NCCc1c[nH+]cn1C ZINC000548132218 388516151 /nfs/dbraw/zinc/51/61/51/388516151.db2.gz JNLLECUWMMBMOV-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnn(C2CC2)c1 ZINC000528411558 388520755 /nfs/dbraw/zinc/52/07/55/388520755.db2.gz MMYOFPCGLNNQIY-UHFFFAOYSA-N 1 2 245.286 0.882 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000528425437 388521936 /nfs/dbraw/zinc/52/19/36/388521936.db2.gz WIUIHWQQYXOGKF-WAPJZHGLSA-N 1 2 242.710 0.729 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCn2c(CO)nnc2C1 ZINC000528425437 388521938 /nfs/dbraw/zinc/52/19/38/388521938.db2.gz WIUIHWQQYXOGKF-WAPJZHGLSA-N 1 2 242.710 0.729 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000347317745 388522105 /nfs/dbraw/zinc/52/21/05/388522105.db2.gz UTIZAOMLVQONMK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000347317745 388522107 /nfs/dbraw/zinc/52/21/07/388522107.db2.gz UTIZAOMLVQONMK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)[nH]1 ZINC000516903409 388523477 /nfs/dbraw/zinc/52/34/77/388523477.db2.gz GEUDROJXQVKMCJ-QXEWZRGKSA-N 1 2 249.318 0.199 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)[nH]1 ZINC000516903409 388523479 /nfs/dbraw/zinc/52/34/79/388523479.db2.gz GEUDROJXQVKMCJ-QXEWZRGKSA-N 1 2 249.318 0.199 20 0 BCADLO CCn1cc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000548254579 388523651 /nfs/dbraw/zinc/52/36/51/388523651.db2.gz JBXUCUUSTUYZRY-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCOC[C@H]1CO ZINC000528478602 388532971 /nfs/dbraw/zinc/53/29/71/388532971.db2.gz UTYLYBJPCWWZQT-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cnccc1C[N@H+]1CCOC[C@H]1CO ZINC000528478602 388532973 /nfs/dbraw/zinc/53/29/73/388532973.db2.gz UTYLYBJPCWWZQT-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351809555 388534492 /nfs/dbraw/zinc/53/44/92/388534492.db2.gz LUTLMKWMEIIWQL-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351809555 388534495 /nfs/dbraw/zinc/53/44/95/388534495.db2.gz LUTLMKWMEIIWQL-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000185570268 388588651 /nfs/dbraw/zinc/58/86/51/388588651.db2.gz ZRHHYSHUSVVZPA-NWDGAFQWSA-N 1 2 240.347 0.415 20 0 BCADLO Cn1nncc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549849747 388592939 /nfs/dbraw/zinc/59/29/39/388592939.db2.gz BOQWAXYGCXFLMG-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO Cn1nncc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549849747 388592942 /nfs/dbraw/zinc/59/29/42/388592942.db2.gz BOQWAXYGCXFLMG-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000549936243 388595303 /nfs/dbraw/zinc/59/53/03/388595303.db2.gz RSANFBNFNQFQGQ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000549936243 388595305 /nfs/dbraw/zinc/59/53/05/388595305.db2.gz RSANFBNFNQFQGQ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CCn1cc(CC(=O)NCCn2cc[nH+]c2)cn1 ZINC000548689636 388552881 /nfs/dbraw/zinc/55/28/81/388552881.db2.gz BANOPJKPWRYQGO-UHFFFAOYSA-N 1 2 247.302 0.458 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@H]1O ZINC000517559228 388553482 /nfs/dbraw/zinc/55/34/82/388553482.db2.gz UESAPHSIPYLKFY-NXEZZACHSA-N 1 2 246.270 0.979 20 0 BCADLO CCOC[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000528717871 388561410 /nfs/dbraw/zinc/56/14/10/388561410.db2.gz JFMIHOPVNCPUPR-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO CCOC[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000528717871 388561414 /nfs/dbraw/zinc/56/14/14/388561414.db2.gz JFMIHOPVNCPUPR-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO CCOC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000528725860 388561963 /nfs/dbraw/zinc/56/19/63/388561963.db2.gz VPIDXVIONNVFFX-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000528725860 388561966 /nfs/dbraw/zinc/56/19/66/388561966.db2.gz VPIDXVIONNVFFX-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CC(=O)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548801337 388562547 /nfs/dbraw/zinc/56/25/47/388562547.db2.gz HPNOESBMEXGZLD-UHFFFAOYSA-N 1 2 221.260 0.636 20 0 BCADLO Cc1ncc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000548790952 388563388 /nfs/dbraw/zinc/56/33/88/388563388.db2.gz YZYCIQPGNZUUGH-UHFFFAOYSA-N 1 2 231.259 0.700 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000080964844 388564493 /nfs/dbraw/zinc/56/44/93/388564493.db2.gz PWJCKGNRVZBNDD-SNVBAGLBSA-N 1 2 220.276 0.139 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000080964844 388564495 /nfs/dbraw/zinc/56/44/95/388564495.db2.gz PWJCKGNRVZBNDD-SNVBAGLBSA-N 1 2 220.276 0.139 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000528758462 388568109 /nfs/dbraw/zinc/56/81/09/388568109.db2.gz IZPMWSVNHKTJEJ-JIOCBJNQSA-N 1 2 210.281 0.706 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000528764918 388569461 /nfs/dbraw/zinc/56/94/61/388569461.db2.gz PBIHHOPEBCYOPN-JVZYCSMKSA-N 1 2 226.280 0.412 20 0 BCADLO [NH3+][C@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000104669121 388583013 /nfs/dbraw/zinc/58/30/13/388583013.db2.gz ZTGQXNMUKBVFJV-JTQLQIEISA-N 1 2 236.246 0.454 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)OC ZINC000224732827 388668989 /nfs/dbraw/zinc/66/89/89/388668989.db2.gz FXZWXWFRLKVPLG-ZCFIWIBFSA-N 1 2 212.253 0.514 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)OC ZINC000224732827 388668990 /nfs/dbraw/zinc/66/89/90/388668990.db2.gz FXZWXWFRLKVPLG-ZCFIWIBFSA-N 1 2 212.253 0.514 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000552176061 388676513 /nfs/dbraw/zinc/67/65/13/388676513.db2.gz VSGANDGXVBYUQA-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(C)(C)O)C(C)C ZINC000086235255 388683469 /nfs/dbraw/zinc/68/34/69/388683469.db2.gz NRKDDTNFCUMVQD-SECBINFHSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1nncs1 ZINC000530186547 388624625 /nfs/dbraw/zinc/62/46/25/388624625.db2.gz KHKOKXQVCVMXIC-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1nncs1 ZINC000530186547 388624626 /nfs/dbraw/zinc/62/46/26/388624626.db2.gz KHKOKXQVCVMXIC-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2nncs2)[C@H](C)C1 ZINC000530186311 388624701 /nfs/dbraw/zinc/62/47/01/388624701.db2.gz GGBWNXWSYBVQFB-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2nncs2)[C@H](C)C1 ZINC000530186311 388624703 /nfs/dbraw/zinc/62/47/03/388624703.db2.gz GGBWNXWSYBVQFB-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO CCOCC[N@H+](CC)[C@@H](C)c1nnnn1C ZINC000189246958 388629608 /nfs/dbraw/zinc/62/96/08/388629608.db2.gz RVZUGGMPULDESY-VIFPVBQESA-N 1 2 227.312 0.630 20 0 BCADLO CCOCC[N@@H+](CC)[C@@H](C)c1nnnn1C ZINC000189246958 388629610 /nfs/dbraw/zinc/62/96/10/388629610.db2.gz RVZUGGMPULDESY-VIFPVBQESA-N 1 2 227.312 0.630 20 0 BCADLO COCC[N@H+](CC[C@@H]1CCCO1)CC(=O)OC ZINC000189306838 388631055 /nfs/dbraw/zinc/63/10/55/388631055.db2.gz CORSJNLFHCKUDH-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COCC[N@@H+](CC[C@@H]1CCCO1)CC(=O)OC ZINC000189306838 388631056 /nfs/dbraw/zinc/63/10/56/388631056.db2.gz CORSJNLFHCKUDH-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@H]1CCCO1)C(=O)OC ZINC000189800542 388643573 /nfs/dbraw/zinc/64/35/73/388643573.db2.gz BSKPMFXPGUBQCI-ZYHUDNBSSA-N 1 2 245.319 0.723 20 0 BCADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328684393 388646155 /nfs/dbraw/zinc/64/61/55/388646155.db2.gz WTNQKSIQTDLGTC-HZGVNTEJSA-N 1 2 212.253 0.167 20 0 BCADLO CCOCCOCC[N@H+](C)[C@H](C)C(=O)OC ZINC000190252882 388648684 /nfs/dbraw/zinc/64/86/84/388648684.db2.gz JQOFFYUQWXPVNZ-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOCCOCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000190252882 388648685 /nfs/dbraw/zinc/64/86/85/388648685.db2.gz JQOFFYUQWXPVNZ-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CN(C)c1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000551983706 388651456 /nfs/dbraw/zinc/65/14/56/388651456.db2.gz HTKNFZDPHZNBPB-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000551983706 388651458 /nfs/dbraw/zinc/65/14/58/388651458.db2.gz HTKNFZDPHZNBPB-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)COC)C1CC1 ZINC000190827343 388657126 /nfs/dbraw/zinc/65/71/26/388657126.db2.gz HASNTLIRXMSTQZ-ONGXEEELSA-N 1 2 245.319 0.410 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)COC)C1CC1 ZINC000190827343 388657128 /nfs/dbraw/zinc/65/71/28/388657128.db2.gz HASNTLIRXMSTQZ-ONGXEEELSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cnn(C)c1 ZINC000194563815 388735325 /nfs/dbraw/zinc/73/53/25/388735325.db2.gz ZYEAFCJCASCPLE-SNVBAGLBSA-N 1 2 225.292 0.804 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnn(C)c1 ZINC000194563815 388735327 /nfs/dbraw/zinc/73/53/27/388735327.db2.gz ZYEAFCJCASCPLE-SNVBAGLBSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)nn1C ZINC000522258495 388739131 /nfs/dbraw/zinc/73/91/31/388739131.db2.gz FWKAUYFYJVEYIV-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000128242683 388741218 /nfs/dbraw/zinc/74/12/18/388741218.db2.gz WYGRHGHXPXKFGT-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1oncc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000128242683 388741221 /nfs/dbraw/zinc/74/12/21/388741221.db2.gz WYGRHGHXPXKFGT-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO CCCC[C@@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000649034721 388746320 /nfs/dbraw/zinc/74/63/20/388746320.db2.gz XRGLHFZSICDZOL-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO O=S(=O)(CC1CC1)NCCCn1cc[nH+]c1 ZINC000539173541 388750262 /nfs/dbraw/zinc/75/02/62/388750262.db2.gz TWMWVKWBQBLCDL-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H](C)O1 ZINC000251667710 388751096 /nfs/dbraw/zinc/75/10/96/388751096.db2.gz IJZSWJHFPRJFRR-MXWKQRLJSA-N 1 2 244.335 0.199 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H](C)O1 ZINC000251667710 388751100 /nfs/dbraw/zinc/75/11/00/388751100.db2.gz IJZSWJHFPRJFRR-MXWKQRLJSA-N 1 2 244.335 0.199 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)c1cn[nH]c1 ZINC000193342403 388701733 /nfs/dbraw/zinc/70/17/33/388701733.db2.gz HBSRMYYYNFBRRN-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)[C@H](C)O ZINC000249030062 388705011 /nfs/dbraw/zinc/70/50/11/388705011.db2.gz LNGUIGRBUPCTKZ-UTINFBMNSA-N 1 2 215.293 0.687 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249768802 388733257 /nfs/dbraw/zinc/73/32/57/388733257.db2.gz BJGKHQKKPOIHDY-KWQFWETISA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249768802 388733259 /nfs/dbraw/zinc/73/32/59/388733259.db2.gz BJGKHQKKPOIHDY-KWQFWETISA-N 1 2 209.293 0.921 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229506435 388792057 /nfs/dbraw/zinc/79/20/57/388792057.db2.gz NFCVIYOCRPLHLH-IUCAKERBSA-N 1 2 224.304 0.564 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229506435 388792059 /nfs/dbraw/zinc/79/20/59/388792059.db2.gz NFCVIYOCRPLHLH-IUCAKERBSA-N 1 2 224.304 0.564 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2CCC2)CCO1 ZINC000523056713 388793136 /nfs/dbraw/zinc/79/31/36/388793136.db2.gz YNMAEFKQYPUELO-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CCC2)CCO1 ZINC000523056713 388793138 /nfs/dbraw/zinc/79/31/38/388793138.db2.gz YNMAEFKQYPUELO-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000523120743 388801142 /nfs/dbraw/zinc/80/11/42/388801142.db2.gz QVLVQOOBJWPMQW-UHFFFAOYSA-N 1 2 243.270 0.897 20 0 BCADLO CC(C)(C[NH2+]Cc1ccn[nH]1)OCCO ZINC000288571123 388804060 /nfs/dbraw/zinc/80/40/60/388804060.db2.gz ZSBNSSFRADYEPE-UHFFFAOYSA-N 1 2 213.281 0.287 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C2CCC1CC2 ZINC000540476067 388808762 /nfs/dbraw/zinc/80/87/62/388808762.db2.gz XOCUEGHYPGCDEM-HTAVTVPLSA-N 1 2 238.331 0.861 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C2CCC1CC2 ZINC000540476067 388808764 /nfs/dbraw/zinc/80/87/64/388808764.db2.gz XOCUEGHYPGCDEM-HTAVTVPLSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000230018242 388809757 /nfs/dbraw/zinc/80/97/57/388809757.db2.gz SPHFUCLXMZVOHT-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000554338850 388810627 /nfs/dbraw/zinc/81/06/27/388810627.db2.gz MBXNPTOPUOAUPL-NSHDSACASA-N 1 2 237.303 0.767 20 0 BCADLO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000227970681 388763402 /nfs/dbraw/zinc/76/34/02/388763402.db2.gz OOLQLAIZYXHJQC-SCZZXKLOSA-N 1 2 211.265 0.039 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000250123708 388783216 /nfs/dbraw/zinc/78/32/16/388783216.db2.gz VWGHVGUPXJTTMB-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000250123708 388783218 /nfs/dbraw/zinc/78/32/18/388783218.db2.gz VWGHVGUPXJTTMB-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO COCC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000553640427 388785492 /nfs/dbraw/zinc/78/54/92/388785492.db2.gz WLDVQBBPRXYADP-UHFFFAOYSA-N 1 2 239.319 0.751 20 0 BCADLO CN(CCO)c1cc(NCC2CC2)[nH+]cn1 ZINC000270216168 388790107 /nfs/dbraw/zinc/79/01/07/388790107.db2.gz BBWNAPKJCZUGBT-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO CN(CCO)c1cc(NCC2CC2)nc[nH+]1 ZINC000270216168 388790112 /nfs/dbraw/zinc/79/01/12/388790112.db2.gz BBWNAPKJCZUGBT-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO COCCC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000555230199 388843809 /nfs/dbraw/zinc/84/38/09/388843809.db2.gz BCCHEWYPPYOJMI-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO O=C(COC[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000523693208 388852828 /nfs/dbraw/zinc/85/28/28/388852828.db2.gz ZTOGCURPEVPTTO-SECBINFHSA-N 1 2 239.275 0.222 20 0 BCADLO COC[C@@H]([NH2+]Cc1nnn(C)n1)C1CCCC1 ZINC000555584106 388855488 /nfs/dbraw/zinc/85/54/88/388855488.db2.gz JQPOHTANAWXZDJ-SNVBAGLBSA-N 1 2 239.323 0.505 20 0 BCADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nnnn2C)cn1 ZINC000541645908 388862087 /nfs/dbraw/zinc/86/20/87/388862087.db2.gz ZEJAEHZNHDIBBY-VIFPVBQESA-N 1 2 249.322 0.838 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000555976164 388863176 /nfs/dbraw/zinc/86/31/76/388863176.db2.gz VYGIUFMYRFUHCV-GHMZBOCLSA-N 1 2 247.335 0.561 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000555976165 388864188 /nfs/dbraw/zinc/86/41/88/388864188.db2.gz VYGIUFMYRFUHCV-MNOVXSKESA-N 1 2 247.335 0.561 20 0 BCADLO Cn1cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)nn1 ZINC000541702057 388864271 /nfs/dbraw/zinc/86/42/71/388864271.db2.gz VBTXURLGGBGJCG-LLVKDONJSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)nn1 ZINC000541702057 388864273 /nfs/dbraw/zinc/86/42/73/388864273.db2.gz VBTXURLGGBGJCG-LLVKDONJSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000071089279 388886094 /nfs/dbraw/zinc/88/60/94/388886094.db2.gz ODLZVAOSPBTQPK-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000071089279 388886097 /nfs/dbraw/zinc/88/60/97/388886097.db2.gz ODLZVAOSPBTQPK-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cn3cccnc3n2)C1 ZINC000564916713 388898439 /nfs/dbraw/zinc/89/84/39/388898439.db2.gz HBAIOQWGNYGSDM-UHFFFAOYSA-N 1 2 245.286 0.037 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CO1 ZINC000565030047 388909642 /nfs/dbraw/zinc/90/96/42/388909642.db2.gz RPUCLCVOVQEHJR-NXEZZACHSA-N 1 2 237.303 0.646 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](F)C1 ZINC000565142705 388916895 /nfs/dbraw/zinc/91/68/95/388916895.db2.gz ISAPPSZEHWOFTO-SECBINFHSA-N 1 2 225.267 0.923 20 0 BCADLO CCn1cnnc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565203085 388923838 /nfs/dbraw/zinc/92/38/38/388923838.db2.gz GSGXAQXCQVDEBV-MRVPVSSYSA-N 1 2 248.290 0.838 20 0 BCADLO CCn1cnnc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565203085 388923840 /nfs/dbraw/zinc/92/38/40/388923840.db2.gz GSGXAQXCQVDEBV-MRVPVSSYSA-N 1 2 248.290 0.838 20 0 BCADLO CC(C)(CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC000565196405 388924093 /nfs/dbraw/zinc/92/40/93/388924093.db2.gz RLADQDLNCROIFI-UHFFFAOYSA-N 1 2 223.276 0.244 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC2(CO)CCCC2)C1 ZINC000565192314 388924811 /nfs/dbraw/zinc/92/48/11/388924811.db2.gz SOUONUVCAPFXKX-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N[C@@H](C)C1 ZINC000565224965 388928722 /nfs/dbraw/zinc/92/87/22/388928722.db2.gz AYDHHGBDLPFFAF-QMMMGPOBSA-N 1 2 220.276 0.418 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000565326017 388939025 /nfs/dbraw/zinc/93/90/25/388939025.db2.gz PKLOHIJHAFHGTP-RKDXNWHRSA-N 1 2 225.267 0.969 20 0 BCADLO COc1nccnc1C[NH2+]Cc1ccno1 ZINC000566068945 388985068 /nfs/dbraw/zinc/98/50/68/388985068.db2.gz MCFIPIXDZNXIBT-UHFFFAOYSA-N 1 2 220.232 0.763 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@H]1O ZINC000300332949 132250914 /nfs/dbraw/zinc/25/09/14/132250914.db2.gz CNEDJRWQRRQBAI-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@H]1O ZINC000300332949 132250916 /nfs/dbraw/zinc/25/09/16/132250916.db2.gz CNEDJRWQRRQBAI-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCOC1 ZINC000267156059 388998571 /nfs/dbraw/zinc/99/85/71/388998571.db2.gz FRCIPGBEVVCWNA-SECBINFHSA-N 1 2 223.276 0.761 20 0 BCADLO CCC[C@@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000565816536 388971653 /nfs/dbraw/zinc/97/16/53/388971653.db2.gz RFFGYUSYGXWKPA-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000270427117 389011689 /nfs/dbraw/zinc/01/16/89/389011689.db2.gz ALCLYLOJPRBJRZ-WCBMZHEXSA-N 1 2 247.302 0.570 20 0 BCADLO COC(=O)C(C)(C)NCCn1cc[nH+]c1 ZINC000270900523 389014906 /nfs/dbraw/zinc/01/49/06/389014906.db2.gz RAECGUSKNIXERQ-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO COC(=O)C1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493480530 533229586 /nfs/dbraw/zinc/22/95/86/533229586.db2.gz GAGQVIJFELDCRW-ONEGZZNKSA-N 1 2 249.270 0.635 20 0 BCADLO COc1nn(C)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823352 533300200 /nfs/dbraw/zinc/30/02/00/533300200.db2.gz MTMXYISISCMFRX-ARJAWSKDSA-N 1 2 247.258 0.804 20 0 BCADLO COc1nn(C)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823353 533300418 /nfs/dbraw/zinc/30/04/18/533300418.db2.gz MTMXYISISCMFRX-ONEGZZNKSA-N 1 2 247.258 0.804 20 0 BCADLO COC(=O)[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492772526 533304969 /nfs/dbraw/zinc/30/49/69/533304969.db2.gz SVRYPPYBIGPUKO-SGUJLRQBSA-N 1 2 249.270 0.491 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncccn2)C[C@@H]1OC ZINC000487966370 533479841 /nfs/dbraw/zinc/47/98/41/533479841.db2.gz WSJNEPUVMDOYQG-AOOOYVTPSA-N 1 2 223.276 0.322 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncccn2)C[C@@H]1OC ZINC000487966370 533479845 /nfs/dbraw/zinc/47/98/45/533479845.db2.gz WSJNEPUVMDOYQG-AOOOYVTPSA-N 1 2 223.276 0.322 20 0 BCADLO CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886949 168235267 /nfs/dbraw/zinc/23/52/67/168235267.db2.gz FFLCNOQCCIBPJQ-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000305202147 533582972 /nfs/dbraw/zinc/58/29/72/533582972.db2.gz FQSKELMTRMRURR-SECBINFHSA-N 1 2 236.319 0.652 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308344492 533535857 /nfs/dbraw/zinc/53/58/57/533535857.db2.gz MEVHUYZKYFIIRV-RKDXNWHRSA-N 1 2 213.277 0.707 20 0 BCADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000493511731 533642116 /nfs/dbraw/zinc/64/21/16/533642116.db2.gz FPDHJEALYGAUMI-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnnn2C)CCS1 ZINC000494152515 533645783 /nfs/dbraw/zinc/64/57/83/533645783.db2.gz KJJCYJSQGYXWFE-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnnn2C)CCS1 ZINC000494152515 533645787 /nfs/dbraw/zinc/64/57/87/533645787.db2.gz KJJCYJSQGYXWFE-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267928639 132191080 /nfs/dbraw/zinc/19/10/80/132191080.db2.gz LBAKYAJVCPXTQO-SNVBAGLBSA-N 1 2 245.282 0.827 20 0 BCADLO C[C@H](O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000270746838 132197028 /nfs/dbraw/zinc/19/70/28/132197028.db2.gz HLYFFYSVWAJEGN-JTQLQIEISA-N 1 2 235.287 0.111 20 0 BCADLO CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000047186856 132227862 /nfs/dbraw/zinc/22/78/62/132227862.db2.gz BZRRANFXBSWFNU-SNVBAGLBSA-N 1 2 249.314 0.943 20 0 BCADLO NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330459211 132228455 /nfs/dbraw/zinc/22/84/55/132228455.db2.gz QDXIKQVISUAOMZ-UHFFFAOYSA-N 1 2 236.275 0.501 20 0 BCADLO Cc1nc(N2CCO[C@@H](C(=O)C3CC3)C2)cc[nH+]1 ZINC000333311787 132245261 /nfs/dbraw/zinc/24/52/61/132245261.db2.gz OCGXMYFBUOOGDH-LLVKDONJSA-N 1 2 247.298 0.969 20 0 BCADLO Cc1cc(N2CCC[C@H](CNC(N)=O)C2)nc[nH+]1 ZINC000352785042 132249364 /nfs/dbraw/zinc/24/93/64/132249364.db2.gz SWDZBWNUCBSARJ-SNVBAGLBSA-N 1 2 249.318 0.670 20 0 BCADLO Cc1nc(N2C[C@H](C(N)=O)CC[C@@H]2C)cc[nH+]1 ZINC000301335881 132253184 /nfs/dbraw/zinc/25/31/84/132253184.db2.gz CVQKOYBNESDNMX-WCBMZHEXSA-N 1 2 234.303 0.875 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1c1cc(C)[nH+]cn1 ZINC000301903578 132258573 /nfs/dbraw/zinc/25/85/73/132258573.db2.gz XKDYMDGFGZQYEG-SNVBAGLBSA-N 1 2 234.303 0.890 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1c1cccc[nH+]1 ZINC000302454927 132263851 /nfs/dbraw/zinc/26/38/51/132263851.db2.gz SULYEHKHJWBTBN-SECBINFHSA-N 1 2 205.261 0.749 20 0 BCADLO O=C1NC[C@H]2CN(c3cccc[nH+]3)CC[C@H]12 ZINC000377330786 132289420 /nfs/dbraw/zinc/28/94/20/132289420.db2.gz OEGHQZNPNRCWHD-UWVGGRQHSA-N 1 2 217.272 0.654 20 0 BCADLO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)nc[nH+]1 ZINC000127152981 132298733 /nfs/dbraw/zinc/29/87/33/132298733.db2.gz MKXQLNPGHKJIET-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)C1CC1 ZINC000408056465 133468591 /nfs/dbraw/zinc/46/85/91/133468591.db2.gz HTLSLXVIJMACNA-UHFFFAOYSA-N 1 2 229.305 0.344 20 0 BCADLO CC[N@H+](CCOCCO)[C@H](C)c1nncn1C ZINC000347187886 133808537 /nfs/dbraw/zinc/80/85/37/133808537.db2.gz QGEADPPNXXLURG-SNVBAGLBSA-N 1 2 242.323 0.207 20 0 BCADLO CC[N@@H+](CCOCCO)[C@H](C)c1nncn1C ZINC000347187886 133808538 /nfs/dbraw/zinc/80/85/38/133808538.db2.gz QGEADPPNXXLURG-SNVBAGLBSA-N 1 2 242.323 0.207 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccnn2C)CC[S@@]1=O ZINC000335925560 134008500 /nfs/dbraw/zinc/00/85/00/134008500.db2.gz DHPHMOYIODXQEO-HWPZZCPQSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[S@@]1=O ZINC000335925560 134008501 /nfs/dbraw/zinc/00/85/01/134008501.db2.gz DHPHMOYIODXQEO-HWPZZCPQSA-N 1 2 241.360 0.415 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335941224 134017403 /nfs/dbraw/zinc/01/74/03/134017403.db2.gz BLKOXMYLBXPWJA-GHMZBOCLSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335941224 134017404 /nfs/dbraw/zinc/01/74/04/134017404.db2.gz BLKOXMYLBXPWJA-GHMZBOCLSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335959199 134023912 /nfs/dbraw/zinc/02/39/12/134023912.db2.gz QSGGBRKXJGPGBV-GXSJLCMTSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000335959199 134023913 /nfs/dbraw/zinc/02/39/13/134023913.db2.gz QSGGBRKXJGPGBV-GXSJLCMTSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@@H](C(=O)N[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC000335996511 134042085 /nfs/dbraw/zinc/04/20/85/134042085.db2.gz YAQWRXXACZULCJ-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@H](C(=O)N[C@@H]1CC=CCC1)[NH+]1CCOCC1 ZINC000335996512 134042275 /nfs/dbraw/zinc/04/22/75/134042275.db2.gz YAQWRXXACZULCJ-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@@H]1[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1(F)F ZINC000336019368 134053960 /nfs/dbraw/zinc/05/39/60/134053960.db2.gz PHRWAJLALQRBTQ-BDAKNGLRSA-N 1 2 248.273 0.024 20 0 BCADLO CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022452 134056046 /nfs/dbraw/zinc/05/60/46/134056046.db2.gz VPTBUWSVXXAENV-ZETCQYMHSA-N 1 2 208.265 0.586 20 0 BCADLO CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022452 134056047 /nfs/dbraw/zinc/05/60/47/134056047.db2.gz VPTBUWSVXXAENV-ZETCQYMHSA-N 1 2 208.265 0.586 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCCO1 ZINC000336048879 134064310 /nfs/dbraw/zinc/06/43/10/134064310.db2.gz FAARVKHNILGMSQ-QMMMGPOBSA-N 1 2 221.260 0.994 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000336119186 134089422 /nfs/dbraw/zinc/08/94/22/134089422.db2.gz JKXRIYQJDNWXAK-LLVKDONJSA-N 1 2 247.298 0.801 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCNC1=O ZINC000336119333 134089486 /nfs/dbraw/zinc/08/94/86/134089486.db2.gz GINJUFFPLODWQT-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336135550 134096020 /nfs/dbraw/zinc/09/60/20/134096020.db2.gz KXUFLNQCDJCMDL-SNVBAGLBSA-N 1 2 221.260 0.874 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000336177337 134117058 /nfs/dbraw/zinc/11/70/58/134117058.db2.gz APNGDPRKRHGLRL-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccno1 ZINC000336177337 134117059 /nfs/dbraw/zinc/11/70/59/134117059.db2.gz APNGDPRKRHGLRL-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000336185685 134120944 /nfs/dbraw/zinc/12/09/44/134120944.db2.gz BNCIUKCKDMEEQX-NSHDSACASA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000336185685 134120945 /nfs/dbraw/zinc/12/09/45/134120945.db2.gz BNCIUKCKDMEEQX-NSHDSACASA-N 1 2 226.320 0.716 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)n1 ZINC000171859669 134261505 /nfs/dbraw/zinc/26/15/05/134261505.db2.gz CLFXVQPLSCBZAO-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC)n1 ZINC000171859669 134261506 /nfs/dbraw/zinc/26/15/06/134261506.db2.gz CLFXVQPLSCBZAO-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172882365 134270359 /nfs/dbraw/zinc/27/03/59/134270359.db2.gz WPBICYISNUFQHU-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172882365 134270360 /nfs/dbraw/zinc/27/03/60/134270360.db2.gz WPBICYISNUFQHU-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000175764773 134288751 /nfs/dbraw/zinc/28/87/51/134288751.db2.gz DMDPWDAVZRMGAF-JQWIXIFHSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000175764773 134288752 /nfs/dbraw/zinc/28/87/52/134288752.db2.gz DMDPWDAVZRMGAF-JQWIXIFHSA-N 1 2 241.287 0.660 20 0 BCADLO COCCOCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000176339105 134290792 /nfs/dbraw/zinc/29/07/92/134290792.db2.gz GZRHNOWMBFMRMV-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCCOCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000176339105 134290793 /nfs/dbraw/zinc/29/07/93/134290793.db2.gz GZRHNOWMBFMRMV-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nnc(C2CC2)n1C ZINC000176360495 134290817 /nfs/dbraw/zinc/29/08/17/134290817.db2.gz XIASZEVTTHMXLX-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nnc(C2CC2)n1C ZINC000176360495 134290818 /nfs/dbraw/zinc/29/08/18/134290818.db2.gz XIASZEVTTHMXLX-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178615453 134312091 /nfs/dbraw/zinc/31/20/91/134312091.db2.gz WWCIYYXPXVISFP-VXGBXAGGSA-N 1 2 239.363 0.395 20 0 BCADLO COC[C@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000179302572 134318787 /nfs/dbraw/zinc/31/87/87/134318787.db2.gz XQPGRMAGLPODEQ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000179302572 134318788 /nfs/dbraw/zinc/31/87/88/134318788.db2.gz XQPGRMAGLPODEQ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)[C@H](C)CO ZINC000179513403 134321351 /nfs/dbraw/zinc/32/13/51/134321351.db2.gz UJKIGTMASHAZII-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H](C)CO ZINC000179513403 134321352 /nfs/dbraw/zinc/32/13/52/134321352.db2.gz UJKIGTMASHAZII-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CNC(=O)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179846521 134324247 /nfs/dbraw/zinc/32/42/47/134324247.db2.gz BPOXJBUIPQOKHE-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221436546 134324840 /nfs/dbraw/zinc/32/48/40/134324840.db2.gz WVDIXAYFBOEBMC-IUCAKERBSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221436546 134324841 /nfs/dbraw/zinc/32/48/41/134324841.db2.gz WVDIXAYFBOEBMC-IUCAKERBSA-N 1 2 201.266 0.252 20 0 BCADLO OCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000180408855 134327001 /nfs/dbraw/zinc/32/70/01/134327001.db2.gz SZGSTUWABUCKLI-UHFFFAOYSA-N 1 2 236.319 0.886 20 0 BCADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000221801471 134328046 /nfs/dbraw/zinc/32/80/46/134328046.db2.gz HYTUFLHNJRLODB-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000180294189 134328692 /nfs/dbraw/zinc/32/86/92/134328692.db2.gz SUYUBOUOIYVPRA-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000180294189 134328693 /nfs/dbraw/zinc/32/86/93/134328693.db2.gz SUYUBOUOIYVPRA-AEJSXWLSSA-N 1 2 212.293 0.326 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000182195865 134342677 /nfs/dbraw/zinc/34/26/77/134342677.db2.gz FYUFGHPQQRARQH-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000182195865 134342678 /nfs/dbraw/zinc/34/26/78/134342678.db2.gz FYUFGHPQQRARQH-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO CC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119697 134349156 /nfs/dbraw/zinc/34/91/56/134349156.db2.gz RKAUESGVSCWRQX-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119697 134349157 /nfs/dbraw/zinc/34/91/57/134349157.db2.gz RKAUESGVSCWRQX-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C(F)(F)F ZINC000183925400 134357811 /nfs/dbraw/zinc/35/78/11/134357811.db2.gz TXSCKHFSIDWYFO-SSDOTTSWSA-N 1 2 242.241 0.320 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)C(F)(F)F ZINC000183925400 134357812 /nfs/dbraw/zinc/35/78/12/134357812.db2.gz TXSCKHFSIDWYFO-SSDOTTSWSA-N 1 2 242.241 0.320 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C(C)C)[nH]1 ZINC000184574225 134363786 /nfs/dbraw/zinc/36/37/86/134363786.db2.gz LPPIRFYZDHVOKG-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C(C)C)[nH]1 ZINC000184574225 134363787 /nfs/dbraw/zinc/36/37/87/134363787.db2.gz LPPIRFYZDHVOKG-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO O=C(COCC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000226955631 134371153 /nfs/dbraw/zinc/37/11/53/134371153.db2.gz KRZCNRNUEUKNDO-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2cnnc2C1 ZINC000408071026 134386329 /nfs/dbraw/zinc/38/63/29/134386329.db2.gz JKGJLEWQLIOSEC-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2cnnc2C1 ZINC000408071026 134386330 /nfs/dbraw/zinc/38/63/30/134386330.db2.gz JKGJLEWQLIOSEC-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408091216 134390658 /nfs/dbraw/zinc/39/06/58/134390658.db2.gz UJOJALFIHSFNMW-RKDXNWHRSA-N 1 2 248.286 0.209 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCS(=O)(=O)C2)s1 ZINC000227872074 134391550 /nfs/dbraw/zinc/39/15/50/134391550.db2.gz JFFXFKQBDMYHKA-QMMMGPOBSA-N 1 2 246.357 0.728 20 0 BCADLO CCOC(=O)CCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227768264 134392859 /nfs/dbraw/zinc/39/28/59/134392859.db2.gz ZDJUVQJSJOXAHS-NSHDSACASA-N 1 2 243.303 0.871 20 0 BCADLO CNC(=O)C(C)(C)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227771400 134394003 /nfs/dbraw/zinc/39/40/03/134394003.db2.gz UZTZKRDYWVROOW-SECBINFHSA-N 1 2 242.319 0.300 20 0 BCADLO CC[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000190385421 134560246 /nfs/dbraw/zinc/56/02/46/134560246.db2.gz VWIKANJBQUUMPC-NSHDSACASA-N 1 2 228.336 0.871 20 0 BCADLO COc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000234940154 134585768 /nfs/dbraw/zinc/58/57/68/134585768.db2.gz LEUQFZUCTDGAAF-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)OC ZINC000050067784 134647474 /nfs/dbraw/zinc/64/74/74/134647474.db2.gz MDPLCAFUJZZMPX-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)OC ZINC000050067784 134647475 /nfs/dbraw/zinc/64/74/75/134647475.db2.gz MDPLCAFUJZZMPX-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO COC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000408273982 134662062 /nfs/dbraw/zinc/66/20/62/134662062.db2.gz IFEFOCYRCSJGLB-MRVPVSSYSA-N 1 2 225.296 0.382 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCOC1 ZINC000070650704 135004370 /nfs/dbraw/zinc/00/43/70/135004370.db2.gz MLDSYZQJPCMLLG-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000070651484 135005313 /nfs/dbraw/zinc/00/53/13/135005313.db2.gz UKGORQSDIJYZJE-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000248420938 135007753 /nfs/dbraw/zinc/00/77/53/135007753.db2.gz AMQMCRITQNDBNX-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000248420938 135007755 /nfs/dbraw/zinc/00/77/55/135007755.db2.gz AMQMCRITQNDBNX-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1nnsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070819783 135013058 /nfs/dbraw/zinc/01/30/58/135013058.db2.gz HVQXWQQLVTUOMC-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cs1 ZINC000248572962 135020275 /nfs/dbraw/zinc/02/02/75/135020275.db2.gz CYFMUPMCSWQMTR-VHSXEESVSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H]2CO)cs1 ZINC000248572962 135020277 /nfs/dbraw/zinc/02/02/77/135020277.db2.gz CYFMUPMCSWQMTR-VHSXEESVSA-N 1 2 228.317 0.379 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000248842213 135023214 /nfs/dbraw/zinc/02/32/14/135023214.db2.gz RDWMJJHTIISOAS-DTWKUNHWSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000248842213 135023216 /nfs/dbraw/zinc/02/32/16/135023216.db2.gz RDWMJJHTIISOAS-DTWKUNHWSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)[C@H](C)CO1 ZINC000248945403 135027402 /nfs/dbraw/zinc/02/74/02/135027402.db2.gz CHFMMCUOTACPQX-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)[C@H](C)CO1 ZINC000248945403 135027404 /nfs/dbraw/zinc/02/74/04/135027404.db2.gz CHFMMCUOTACPQX-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO Cc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000232763101 135028830 /nfs/dbraw/zinc/02/88/30/135028830.db2.gz NBCVKXXPLKSIDW-AOOOYVTPSA-N 1 2 237.303 0.450 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H]1CCCO1 ZINC000249369412 135036961 /nfs/dbraw/zinc/03/69/61/135036961.db2.gz NDDZQVFCYJSNHZ-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H]1CCCO1 ZINC000249369412 135036963 /nfs/dbraw/zinc/03/69/63/135036963.db2.gz NDDZQVFCYJSNHZ-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H]2CCC[C@H]2O)[nH]1 ZINC000249371614 135037275 /nfs/dbraw/zinc/03/72/75/135037275.db2.gz WUYKKFJKDSEGSX-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)[nH]1 ZINC000249371614 135037278 /nfs/dbraw/zinc/03/72/78/135037278.db2.gz WUYKKFJKDSEGSX-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cnc(N)s1 ZINC000086765780 135096420 /nfs/dbraw/zinc/09/64/20/135096420.db2.gz DLGYKXJEJKNBNP-UHFFFAOYSA-N 1 2 228.321 0.245 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cnc(N)s1 ZINC000086765780 135096421 /nfs/dbraw/zinc/09/64/21/135096421.db2.gz DLGYKXJEJKNBNP-UHFFFAOYSA-N 1 2 228.321 0.245 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCCO1 ZINC000087230612 135113564 /nfs/dbraw/zinc/11/35/64/135113564.db2.gz TWJZBOFJICCWDT-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253284834 135126198 /nfs/dbraw/zinc/12/61/98/135126198.db2.gz NFCVIYOCRPLHLH-BDAKNGLRSA-N 1 2 224.304 0.564 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253284834 135126199 /nfs/dbraw/zinc/12/61/99/135126199.db2.gz NFCVIYOCRPLHLH-BDAKNGLRSA-N 1 2 224.304 0.564 20 0 BCADLO CN1CCC[N@H+](Cc2cccnc2)CC1=O ZINC000259392687 135142588 /nfs/dbraw/zinc/14/25/88/135142588.db2.gz QXLGCXRPOLBJGF-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CN1CCC[N@@H+](Cc2cccnc2)CC1=O ZINC000259392687 135142589 /nfs/dbraw/zinc/14/25/89/135142589.db2.gz QXLGCXRPOLBJGF-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CN1CCC[N@H+](Cc2ccccn2)CC1=O ZINC000259428810 135142828 /nfs/dbraw/zinc/14/28/28/135142828.db2.gz UJPMVZOXBMYLSL-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CN1CCC[N@@H+](Cc2ccccn2)CC1=O ZINC000259428810 135142830 /nfs/dbraw/zinc/14/28/30/135142830.db2.gz UJPMVZOXBMYLSL-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](COC)C1CC1 ZINC000087479613 135144079 /nfs/dbraw/zinc/14/40/79/135144079.db2.gz RUPJJGWKOKLZOU-WCBMZHEXSA-N 1 2 215.293 0.953 20 0 BCADLO [NH3+]Cc1nc(CN2C[C@@H]3CCC[C@H]3C2)no1 ZINC000261535213 135169174 /nfs/dbraw/zinc/16/91/74/135169174.db2.gz WOXZHQZRAUVFAR-IUCAKERBSA-N 1 2 222.292 0.760 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000084081598 135181460 /nfs/dbraw/zinc/18/14/60/135181460.db2.gz WHZUNERBVKLELE-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000084081598 135181461 /nfs/dbraw/zinc/18/14/61/135181461.db2.gz WHZUNERBVKLELE-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccccn1 ZINC000084081632 135182394 /nfs/dbraw/zinc/18/23/94/135182394.db2.gz QXXNALWWQJSHFW-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccccn1 ZINC000084081632 135182395 /nfs/dbraw/zinc/18/23/95/135182395.db2.gz QXXNALWWQJSHFW-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)no1 ZINC000084081792 135182467 /nfs/dbraw/zinc/18/24/67/135182467.db2.gz WBMHSIJAJGDDNE-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)no1 ZINC000084081792 135182468 /nfs/dbraw/zinc/18/24/68/135182468.db2.gz WBMHSIJAJGDDNE-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOC(C)(C)C ZINC000163816857 135207308 /nfs/dbraw/zinc/20/73/08/135207308.db2.gz GLZCUHLFXQTEEV-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOC(C)(C)C ZINC000163816857 135207309 /nfs/dbraw/zinc/20/73/09/135207309.db2.gz GLZCUHLFXQTEEV-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)c1cccnc1 ZINC000342274945 135260581 /nfs/dbraw/zinc/26/05/81/135260581.db2.gz IFPUYVJIPZWEBD-LLVKDONJSA-N 1 2 232.287 0.670 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC1CC1 ZINC000342383706 135269523 /nfs/dbraw/zinc/26/95/23/135269523.db2.gz UXVPGRHWAMYWDH-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC1CC1 ZINC000342383706 135269524 /nfs/dbraw/zinc/26/95/24/135269524.db2.gz UXVPGRHWAMYWDH-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCc2n[nH]cc21 ZINC000342633366 135298517 /nfs/dbraw/zinc/29/85/17/135298517.db2.gz NHAJLOUYNKNPSX-MRVPVSSYSA-N 1 2 245.286 0.869 20 0 BCADLO COCc1cnc(C[N@H+](C)CCO)s1 ZINC000342683834 135304373 /nfs/dbraw/zinc/30/43/73/135304373.db2.gz SOLFLFYOOQKXFB-UHFFFAOYSA-N 1 2 216.306 0.714 20 0 BCADLO COCc1cnc(C[N@@H+](C)CCO)s1 ZINC000342683834 135304375 /nfs/dbraw/zinc/30/43/75/135304375.db2.gz SOLFLFYOOQKXFB-UHFFFAOYSA-N 1 2 216.306 0.714 20 0 BCADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CCCO1 ZINC000262694705 135314004 /nfs/dbraw/zinc/31/40/04/135314004.db2.gz BAGFTHZEHFWXNE-DJLDLDEBSA-N 1 2 248.273 0.667 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@H](O)[C@@H](C)C2)n1C ZINC000342784619 135317369 /nfs/dbraw/zinc/31/73/69/135317369.db2.gz URUJRTVOAMRWNJ-ONGXEEELSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@H](CO)C2)n1C ZINC000342798652 135320320 /nfs/dbraw/zinc/32/03/20/135320320.db2.gz WWAKMKLIKUCVLH-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO CNC(=O)[C@H]1CCCN1Cc1[nH+]cc(C)n1C ZINC000342800929 135321798 /nfs/dbraw/zinc/32/17/98/135321798.db2.gz VFCFNSMNIVRWBU-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1[nH+]cc(C)n1C ZINC000342800928 135322015 /nfs/dbraw/zinc/32/20/15/135322015.db2.gz VFCFNSMNIVRWBU-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000334166425 135323609 /nfs/dbraw/zinc/32/36/09/135323609.db2.gz AMTHFAAKBAONBG-MNOVXSKESA-N 1 2 249.314 0.915 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n(C)n1 ZINC000262919769 135324059 /nfs/dbraw/zinc/32/40/59/135324059.db2.gz GRYDXEBHGYGDQS-ZETCQYMHSA-N 1 2 244.245 0.664 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC1CC(O)C1 ZINC000084454071 135325052 /nfs/dbraw/zinc/32/50/52/135325052.db2.gz MWVIFUOJNLYVQX-UHFFFAOYSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC1CC(O)C1 ZINC000084454071 135325055 /nfs/dbraw/zinc/32/50/55/135325055.db2.gz MWVIFUOJNLYVQX-UHFFFAOYSA-N 1 2 224.308 0.501 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000262981194 135325979 /nfs/dbraw/zinc/32/59/79/135325979.db2.gz MSDPKIWJWIOHAP-SSDOTTSWSA-N 1 2 230.218 0.356 20 0 BCADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CCOC1 ZINC000263012121 135326383 /nfs/dbraw/zinc/32/63/83/135326383.db2.gz PUIJQVLNXGJCCL-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO COCC[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000342764666 135326870 /nfs/dbraw/zinc/32/68/70/135326870.db2.gz JJXUUALHXROXFU-QMMMGPOBSA-N 1 2 229.280 0.855 20 0 BCADLO COCC[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000342764666 135326871 /nfs/dbraw/zinc/32/68/71/135326871.db2.gz JJXUUALHXROXFU-QMMMGPOBSA-N 1 2 229.280 0.855 20 0 BCADLO Cc1c[nH+]c(CN2CCOC[C@H]2C)n1C ZINC000342777692 135327188 /nfs/dbraw/zinc/32/71/88/135327188.db2.gz ICTNLSPZFPIRBS-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC(C)C1 ZINC000334223638 135328821 /nfs/dbraw/zinc/32/88/21/135328821.db2.gz XLGDKZSDKWSNTC-ILDUYXDCSA-N 1 2 226.320 0.622 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CC(C)C1 ZINC000334223638 135328822 /nfs/dbraw/zinc/32/88/22/135328822.db2.gz XLGDKZSDKWSNTC-ILDUYXDCSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000334171500 135330688 /nfs/dbraw/zinc/33/06/88/135330688.db2.gz AASULEARBATCQV-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1C[C@H]1C(F)F ZINC000342911023 135334330 /nfs/dbraw/zinc/33/43/30/135334330.db2.gz JSUSYAFRSSWLPC-SFYZADRCSA-N 1 2 244.245 0.836 20 0 BCADLO C[C@]1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCO1 ZINC000263201424 135339679 /nfs/dbraw/zinc/33/96/79/135339679.db2.gz JCPDGEGPDVZJGH-WCBMZHEXSA-N 1 2 248.273 0.669 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCOCC1 ZINC000334294174 135341710 /nfs/dbraw/zinc/34/17/10/135341710.db2.gz SEHYLJXEWBMMRV-JTQLQIEISA-N 1 2 235.287 0.304 20 0 BCADLO CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000334325284 135354178 /nfs/dbraw/zinc/35/41/78/135354178.db2.gz AXCPRMRLVHBXNE-UHFFFAOYSA-N 1 2 204.233 0.763 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000079715618 135355510 /nfs/dbraw/zinc/35/55/10/135355510.db2.gz AYTIDUTZKXCCJS-PWSUYJOCSA-N 1 2 245.319 0.723 20 0 BCADLO O=C(C1CC(F)(F)C1)N1CC[NH+](CCO)CC1 ZINC000343126277 135359211 /nfs/dbraw/zinc/35/92/11/135359211.db2.gz JWZLKNVRZZESKI-UHFFFAOYSA-N 1 2 248.273 0.168 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334348529 135366887 /nfs/dbraw/zinc/36/68/87/135366887.db2.gz YXQWPCJOPWBVNE-SNVBAGLBSA-N 1 2 231.271 0.266 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000334348529 135366889 /nfs/dbraw/zinc/36/68/89/135366889.db2.gz YXQWPCJOPWBVNE-SNVBAGLBSA-N 1 2 231.271 0.266 20 0 BCADLO O=C(Cc1ccc(O)cc1)NCc1[nH]cc[nH+]1 ZINC000080587803 135381676 /nfs/dbraw/zinc/38/16/76/135381676.db2.gz QVNLKNNOLZMMGI-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO CC[N@H+](CCO)Cc1cn(C(C)C)nn1 ZINC000347646335 136000147 /nfs/dbraw/zinc/00/01/47/136000147.db2.gz FMFGVRQAEMGJQL-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC[N@@H+](CCO)Cc1cn(C(C)C)nn1 ZINC000347646335 136000148 /nfs/dbraw/zinc/00/01/48/136000148.db2.gz FMFGVRQAEMGJQL-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CCCNC2=O)cc[nH+]1 ZINC000335283200 136001297 /nfs/dbraw/zinc/00/12/97/136001297.db2.gz XJXJUSUWEBCYLM-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO COc1cc([C@H](C)[NH2+]Cc2n[nH]c(=O)[nH]2)ccn1 ZINC000347652321 136001833 /nfs/dbraw/zinc/00/18/33/136001833.db2.gz MAKBBOGEMNYHRA-ZETCQYMHSA-N 1 2 249.274 0.765 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C ZINC000347717925 136003029 /nfs/dbraw/zinc/00/30/29/136003029.db2.gz NLCGICSJJZWJIE-OPRDCNLKSA-N 1 2 212.293 0.232 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C ZINC000347717925 136003030 /nfs/dbraw/zinc/00/30/30/136003030.db2.gz NLCGICSJJZWJIE-OPRDCNLKSA-N 1 2 212.293 0.232 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)C[C@](C)(O)C(C)=O ZINC000347723822 136003427 /nfs/dbraw/zinc/00/34/27/136003427.db2.gz SXNRDGVXLOQDGH-LBPRGKRZSA-N 1 2 244.335 0.127 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)C[C@](C)(O)C(C)=O ZINC000347723822 136003428 /nfs/dbraw/zinc/00/34/28/136003428.db2.gz SXNRDGVXLOQDGH-LBPRGKRZSA-N 1 2 244.335 0.127 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCOC ZINC000347731201 136004478 /nfs/dbraw/zinc/00/44/78/136004478.db2.gz XTWICWCQDNTDGW-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCOC ZINC000347731201 136004479 /nfs/dbraw/zinc/00/44/79/136004479.db2.gz XTWICWCQDNTDGW-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1CN(C(=O)C2CC(=O)C2)C[C@H](C)[N@H+]1C ZINC000335296045 136006190 /nfs/dbraw/zinc/00/61/90/136006190.db2.gz KVLQPHSITQBRRU-DTORHVGOSA-N 1 2 224.304 0.517 20 0 BCADLO C[C@@H]1CN(C(=O)C2CC(=O)C2)C[C@H](C)[N@@H+]1C ZINC000335296045 136006191 /nfs/dbraw/zinc/00/61/91/136006191.db2.gz KVLQPHSITQBRRU-DTORHVGOSA-N 1 2 224.304 0.517 20 0 BCADLO COCC[N@H+](CCO)Cc1cn(C(C)C)nn1 ZINC000347785655 136009588 /nfs/dbraw/zinc/00/95/88/136009588.db2.gz NUTGKTKWMHAUNL-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCC[N@@H+](CCO)Cc1cn(C(C)C)nn1 ZINC000347785655 136009589 /nfs/dbraw/zinc/00/95/89/136009589.db2.gz NUTGKTKWMHAUNL-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000347998661 136019875 /nfs/dbraw/zinc/01/98/75/136019875.db2.gz IWQVJVLCDROIBW-MXWKQRLJSA-N 1 2 247.335 0.561 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000347998655 136020135 /nfs/dbraw/zinc/02/01/35/136020135.db2.gz IWQVJVLCDROIBW-GMTAPVOTSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC000348001142 136020479 /nfs/dbraw/zinc/02/04/79/136020479.db2.gz WSEVMHRRMANAQT-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C ZINC000348001142 136020480 /nfs/dbraw/zinc/02/04/80/136020480.db2.gz WSEVMHRRMANAQT-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCOC2)C[C@@H](C)O1 ZINC000367021450 136024458 /nfs/dbraw/zinc/02/44/58/136024458.db2.gz LWUCVKJQBYVMGM-OPRDCNLKSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@@H]2CCOC2)C[C@@H](C)O1 ZINC000367021450 136024459 /nfs/dbraw/zinc/02/44/59/136024459.db2.gz LWUCVKJQBYVMGM-OPRDCNLKSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@H]2CCOC2)C[C@@H](C)O1 ZINC000367021449 136024508 /nfs/dbraw/zinc/02/45/08/136024508.db2.gz LWUCVKJQBYVMGM-KXUCPTDWSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@H]2CCOC2)C[C@@H](C)O1 ZINC000367021449 136024509 /nfs/dbraw/zinc/02/45/09/136024509.db2.gz LWUCVKJQBYVMGM-KXUCPTDWSA-N 1 2 229.276 0.038 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348094483 136035640 /nfs/dbraw/zinc/03/56/40/136035640.db2.gz GLHTVDRZGYNXAI-JGVFFNPUSA-N 1 2 240.307 0.943 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)N(C)C2CC2)n1 ZINC000348091913 136035858 /nfs/dbraw/zinc/03/58/58/136035858.db2.gz NATAFYFQJUOQCG-ZETCQYMHSA-N 1 2 238.291 0.649 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)COC(C)C)C1CC1 ZINC000348186542 136037618 /nfs/dbraw/zinc/03/76/18/136037618.db2.gz OLUIVFXAYOGJAW-QWRGUYRKSA-N 1 2 245.319 0.314 20 0 BCADLO C[C@H]1CCSCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348154897 136040514 /nfs/dbraw/zinc/04/05/14/136040514.db2.gz HBRWWVOLEFQMOX-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@H]1CCSCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348154897 136040515 /nfs/dbraw/zinc/04/05/15/136040515.db2.gz HBRWWVOLEFQMOX-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1nnnn1C ZINC000348176291 136042526 /nfs/dbraw/zinc/04/25/26/136042526.db2.gz XRDOAJFVEWSYBT-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1nnnn1C ZINC000348176291 136042527 /nfs/dbraw/zinc/04/25/27/136042527.db2.gz XRDOAJFVEWSYBT-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO O=C(C1CC1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000335320810 136049815 /nfs/dbraw/zinc/04/98/15/136049815.db2.gz DPHAUJPMSADBKK-GFCCVEGCSA-N 1 2 231.299 0.965 20 0 BCADLO CN1CN(Cc2c[nH+]c3ccccn23)CC1=O ZINC000335326496 136051840 /nfs/dbraw/zinc/05/18/40/136051840.db2.gz JLFYIYKESVJOAL-UHFFFAOYSA-N 1 2 230.271 0.566 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000335326695 136052366 /nfs/dbraw/zinc/05/23/66/136052366.db2.gz PPOCLOWCETXEBB-NSHDSACASA-N 1 2 230.283 0.279 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000335326695 136052367 /nfs/dbraw/zinc/05/23/67/136052367.db2.gz PPOCLOWCETXEBB-NSHDSACASA-N 1 2 230.283 0.279 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335344471 136065362 /nfs/dbraw/zinc/06/53/62/136065362.db2.gz DKBISALXMOZEJC-SNVBAGLBSA-N 1 2 242.282 0.901 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cn[nH]c1 ZINC000348313486 136067755 /nfs/dbraw/zinc/06/77/55/136067755.db2.gz AFBHXKFSNSWCCN-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO O=C1CC[C@@H]2CN(c3cccc[nH+]3)CCN12 ZINC000335353318 136070235 /nfs/dbraw/zinc/07/02/35/136070235.db2.gz BWIGGUPZCNBBBV-SNVBAGLBSA-N 1 2 217.272 0.893 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@H](C)O1 ZINC000348348513 136071793 /nfs/dbraw/zinc/07/17/93/136071793.db2.gz LWUCVKJQBYVMGM-GUBZILKMSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC2)C[C@H](C)O1 ZINC000348348513 136071794 /nfs/dbraw/zinc/07/17/94/136071794.db2.gz LWUCVKJQBYVMGM-GUBZILKMSA-N 1 2 229.276 0.038 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)COC(F)F ZINC000348362576 136072588 /nfs/dbraw/zinc/07/25/88/136072588.db2.gz ARQVQLAXRDIWQM-UHFFFAOYSA-N 1 2 246.213 0.946 20 0 BCADLO Cn1nccc1C[N@H+](C)CC(=O)NCC1CC1 ZINC000348377404 136073529 /nfs/dbraw/zinc/07/35/29/136073529.db2.gz RQOKFFVSEAVYNU-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO Cn1nccc1C[N@@H+](C)CC(=O)NCC1CC1 ZINC000348377404 136073530 /nfs/dbraw/zinc/07/35/30/136073530.db2.gz RQOKFFVSEAVYNU-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)[nH]1 ZINC000348451001 136079084 /nfs/dbraw/zinc/07/90/84/136079084.db2.gz IEQQTTNPAZKDDK-WDSKDSINSA-N 1 2 248.233 0.760 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCSCC1 ZINC000348477058 136079990 /nfs/dbraw/zinc/07/99/90/136079990.db2.gz ICWIQTBZRWXINJ-QMMMGPOBSA-N 1 2 227.337 0.710 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCCSCC1 ZINC000348477058 136079991 /nfs/dbraw/zinc/07/99/91/136079991.db2.gz ICWIQTBZRWXINJ-QMMMGPOBSA-N 1 2 227.337 0.710 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@]2(C)CCOC2)c[nH+]1 ZINC000335389259 136089997 /nfs/dbraw/zinc/08/99/97/136089997.db2.gz CRMUMQZECLOSKG-NSHDSACASA-N 1 2 223.276 0.875 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H](O)C2)c[nH+]1 ZINC000335400488 136094136 /nfs/dbraw/zinc/09/41/36/136094136.db2.gz JYGVVENGQUUTKN-VHSXEESVSA-N 1 2 237.303 0.999 20 0 BCADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCOC1 ZINC000335547987 136096979 /nfs/dbraw/zinc/09/69/79/136096979.db2.gz MVQXSPVIMTZOPR-CMPLNLGQSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn2c(n1)CCC2 ZINC000335548252 136097209 /nfs/dbraw/zinc/09/72/09/136097209.db2.gz NRKIDUWPDQEPMQ-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC000335550321 136097737 /nfs/dbraw/zinc/09/77/37/136097737.db2.gz XHVORIDLNIHNEH-ZETCQYMHSA-N 1 2 229.230 0.827 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@H]1COCC[N@@H+]1CC ZINC000335560040 136100864 /nfs/dbraw/zinc/10/08/64/136100864.db2.gz SGENKZDGGOPSCF-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@H]1COCC[N@H+]1CC ZINC000335560040 136100865 /nfs/dbraw/zinc/10/08/65/136100865.db2.gz SGENKZDGGOPSCF-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO FC1=CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000335597156 136104913 /nfs/dbraw/zinc/10/49/13/136104913.db2.gz MZTJCIPLBTYFFM-SNVBAGLBSA-N 1 2 201.241 0.961 20 0 BCADLO FC1=CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000335597156 136104914 /nfs/dbraw/zinc/10/49/14/136104914.db2.gz MZTJCIPLBTYFFM-SNVBAGLBSA-N 1 2 201.241 0.961 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335565051 136107478 /nfs/dbraw/zinc/10/74/78/136107478.db2.gz OIHPKFCJDJCDAC-VHSXEESVSA-N 1 2 237.303 0.285 20 0 BCADLO COc1cnc(C(=O)Nc2cc[nH+]cc2O)nc1 ZINC000344189969 397786148 /nfs/dbraw/zinc/78/61/48/397786148.db2.gz LVRALXCIVZQBJT-UHFFFAOYSA-N 1 2 246.226 0.260 20 0 BCADLO Cn1cccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000153107587 397739568 /nfs/dbraw/zinc/73/95/68/397739568.db2.gz LZWXLAHLRWQGGJ-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO Cn1cccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000153107587 397739572 /nfs/dbraw/zinc/73/95/72/397739572.db2.gz LZWXLAHLRWQGGJ-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000408047194 397840605 /nfs/dbraw/zinc/84/06/05/397840605.db2.gz ZOHKBTDKSGHBKJ-UTLUCORTSA-N 1 2 230.283 0.453 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1CCCCO1 ZINC000408047194 397840608 /nfs/dbraw/zinc/84/06/08/397840608.db2.gz ZOHKBTDKSGHBKJ-UTLUCORTSA-N 1 2 230.283 0.453 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@@H]2C)c[nH+]1 ZINC000390160902 397880282 /nfs/dbraw/zinc/88/02/82/397880282.db2.gz ZPPPVQBIPIOPJY-RCOVLWMOSA-N 1 2 220.276 0.470 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362079909 397814284 /nfs/dbraw/zinc/81/42/84/397814284.db2.gz VWZOTPKPPPFNGK-QUIZZNFMSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362079909 397814289 /nfs/dbraw/zinc/81/42/89/397814289.db2.gz VWZOTPKPPPFNGK-QUIZZNFMSA-N 1 2 249.376 0.225 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@H]2CC=CCC2)n1 ZINC000440526114 397930075 /nfs/dbraw/zinc/93/00/75/397930075.db2.gz LBKFCSXHJNLDGR-JTQLQIEISA-N 1 2 221.308 0.998 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@H]2CC=CCC2)n1 ZINC000440526114 397930080 /nfs/dbraw/zinc/93/00/80/397930080.db2.gz LBKFCSXHJNLDGR-JTQLQIEISA-N 1 2 221.308 0.998 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000440527643 397931794 /nfs/dbraw/zinc/93/17/94/397931794.db2.gz ZOXBWCOWMPDMBA-BDAKNGLRSA-N 1 2 218.272 0.181 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000440527643 397931796 /nfs/dbraw/zinc/93/17/96/397931796.db2.gz ZOXBWCOWMPDMBA-BDAKNGLRSA-N 1 2 218.272 0.181 20 0 BCADLO C[C@@H](C(N)=O)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000357572015 397938461 /nfs/dbraw/zinc/93/84/61/397938461.db2.gz RAXMTZAPPDNKBJ-JTQLQIEISA-N 1 2 249.314 0.108 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000357572015 397938466 /nfs/dbraw/zinc/93/84/66/397938466.db2.gz RAXMTZAPPDNKBJ-JTQLQIEISA-N 1 2 249.314 0.108 20 0 BCADLO CC1(C)CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000388027359 397942180 /nfs/dbraw/zinc/94/21/80/397942180.db2.gz KJPOCWZNKKAOPP-SNVBAGLBSA-N 1 2 222.288 0.781 20 0 BCADLO Cn1ccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493479240 397953852 /nfs/dbraw/zinc/95/38/52/397953852.db2.gz BWNVGPFJMBTAMA-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO CC(=O)NCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493567929 397959162 /nfs/dbraw/zinc/95/91/62/397959162.db2.gz ZYWZWXXTGKYBBT-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)CO ZINC000650182338 397959373 /nfs/dbraw/zinc/95/93/73/397959373.db2.gz XVNCVYKBFRDSBN-YUMQZZPRSA-N 1 2 211.252 0.563 20 0 BCADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H](C)CO ZINC000650182338 397959374 /nfs/dbraw/zinc/95/93/74/397959374.db2.gz XVNCVYKBFRDSBN-YUMQZZPRSA-N 1 2 211.252 0.563 20 0 BCADLO COC[C@](C)(O)CNc1[nH+]cccc1OC ZINC000382580336 397961778 /nfs/dbraw/zinc/96/17/78/397961778.db2.gz VLPYJDAJDWVRAC-LLVKDONJSA-N 1 2 226.276 0.900 20 0 BCADLO CC(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382583378 397961926 /nfs/dbraw/zinc/96/19/26/397961926.db2.gz PHDWCCOVMZRQCZ-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC(=O)NC1 ZINC000110909559 397904709 /nfs/dbraw/zinc/90/47/09/397904709.db2.gz XCAHHPYNKLGDTQ-SSDOTTSWSA-N 1 2 246.274 0.054 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000111356216 397905884 /nfs/dbraw/zinc/90/58/84/397905884.db2.gz DUKHTFRBCICONK-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000111356216 397905887 /nfs/dbraw/zinc/90/58/87/397905887.db2.gz DUKHTFRBCICONK-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO Cc1noc(C[N@H+](C)CCn2cccn2)n1 ZINC000111279912 397906597 /nfs/dbraw/zinc/90/65/97/397906597.db2.gz VALSQMHQRHMTFB-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO Cc1noc(C[N@@H+](C)CCn2cccn2)n1 ZINC000111279912 397906599 /nfs/dbraw/zinc/90/65/99/397906599.db2.gz VALSQMHQRHMTFB-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO CCn1ccc(CC(=O)NCCn2cc[nH+]c2)n1 ZINC000649530724 397922920 /nfs/dbraw/zinc/92/29/20/397922920.db2.gz GGKBTGUZCHEPBD-UHFFFAOYSA-N 1 2 247.302 0.458 20 0 BCADLO CC[N@H+](C[C@H]1CCCN1C)[C@@H]1CCNC1=O ZINC000649599813 397990586 /nfs/dbraw/zinc/99/05/86/397990586.db2.gz PLTIKVLOQKZAPB-GHMZBOCLSA-N 1 2 225.336 0.291 20 0 BCADLO CC[N@@H+](C[C@H]1CCCN1C)[C@@H]1CCNC1=O ZINC000649599813 397990590 /nfs/dbraw/zinc/99/05/90/397990590.db2.gz PLTIKVLOQKZAPB-GHMZBOCLSA-N 1 2 225.336 0.291 20 0 BCADLO C[C@@H](CNC(=O)C1(C)COC1)Cn1cc[nH+]c1 ZINC000273087757 397991011 /nfs/dbraw/zinc/99/10/11/397991011.db2.gz QTLCYIAPJYXMMW-JTQLQIEISA-N 1 2 237.303 0.672 20 0 BCADLO CC[N@H+](C[C@H]1CCCN1C)[C@H]1CCNC1=O ZINC000649599814 397991097 /nfs/dbraw/zinc/99/10/97/397991097.db2.gz PLTIKVLOQKZAPB-MNOVXSKESA-N 1 2 225.336 0.291 20 0 BCADLO CC[N@@H+](C[C@H]1CCCN1C)[C@H]1CCNC1=O ZINC000649599814 397991100 /nfs/dbraw/zinc/99/11/00/397991100.db2.gz PLTIKVLOQKZAPB-MNOVXSKESA-N 1 2 225.336 0.291 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000372505848 398004448 /nfs/dbraw/zinc/00/44/48/398004448.db2.gz NXGXEQNJNIACIK-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000372505848 398004453 /nfs/dbraw/zinc/00/44/53/398004453.db2.gz NXGXEQNJNIACIK-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO Cc1cncc(CC[N@@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000649622317 398007197 /nfs/dbraw/zinc/00/71/97/398007197.db2.gz AXCHQHGUIGNROE-SNVBAGLBSA-N 1 2 234.303 0.148 20 0 BCADLO Cc1cncc(CC[N@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000649622317 398007199 /nfs/dbraw/zinc/00/71/99/398007199.db2.gz AXCHQHGUIGNROE-SNVBAGLBSA-N 1 2 234.303 0.148 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194440 398018067 /nfs/dbraw/zinc/01/80/67/398018067.db2.gz IEDCGBHGVRPDIX-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194440 398018072 /nfs/dbraw/zinc/01/80/72/398018072.db2.gz IEDCGBHGVRPDIX-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO CCOC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000649650041 398021077 /nfs/dbraw/zinc/02/10/77/398021077.db2.gz HUZONTFKCGTXBE-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CCOC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000649650041 398021078 /nfs/dbraw/zinc/02/10/78/398021078.db2.gz HUZONTFKCGTXBE-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO CCOC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000649650041 398021079 /nfs/dbraw/zinc/02/10/79/398021079.db2.gz HUZONTFKCGTXBE-UHFFFAOYSA-N 1 2 210.281 0.806 20 0 BCADLO Cc1nc(NC[C@H]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000389095374 398022070 /nfs/dbraw/zinc/02/20/70/398022070.db2.gz DCVQNOZZLZHHAA-CBAPKCEASA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCO[C@@H](C)C2)[nH+]1 ZINC000389095374 398022071 /nfs/dbraw/zinc/02/20/71/398022071.db2.gz DCVQNOZZLZHHAA-CBAPKCEASA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(NC[C@@H]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000389095381 398022114 /nfs/dbraw/zinc/02/21/14/398022114.db2.gz DCVQNOZZLZHHAA-VXNVDRBHSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCO[C@H](C)C2)[nH+]1 ZINC000389095381 398022115 /nfs/dbraw/zinc/02/21/15/398022115.db2.gz DCVQNOZZLZHHAA-VXNVDRBHSA-N 1 2 237.307 0.241 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000365200133 398037248 /nfs/dbraw/zinc/03/72/48/398037248.db2.gz VNAHOUIEDSOZTK-SNVBAGLBSA-N 1 2 240.347 0.698 20 0 BCADLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000649691211 398037596 /nfs/dbraw/zinc/03/75/96/398037596.db2.gz QUWDKWSMMTUFNF-JGVFFNPUSA-N 1 2 228.296 0.397 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)Cc1c[nH+]cn1C ZINC000582624728 398041418 /nfs/dbraw/zinc/04/14/18/398041418.db2.gz KJLFUOXQVDTWAD-NSHDSACASA-N 1 2 239.319 0.486 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000361032208 397969208 /nfs/dbraw/zinc/96/92/08/397969208.db2.gz PSHBWIKRMLJYHC-NXEZZACHSA-N 1 2 240.307 0.342 20 0 BCADLO CCn1ncnc1C[NH2+]C(COC)COC ZINC000388411637 397975259 /nfs/dbraw/zinc/97/52/59/397975259.db2.gz YGJHRGXPULOTPU-UHFFFAOYSA-N 1 2 228.296 0.049 20 0 BCADLO Cc1[nH+]ccn1CCSc1n[nH]c(=O)[nH]1 ZINC000446067126 397982038 /nfs/dbraw/zinc/98/20/38/397982038.db2.gz BECOONPMKRJUAW-UHFFFAOYSA-N 1 2 225.277 0.808 20 0 BCADLO O=C(C(F)F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000369609749 397983505 /nfs/dbraw/zinc/98/35/05/397983505.db2.gz SLSFWOOCPJKQOG-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)OC ZINC000451774500 397983650 /nfs/dbraw/zinc/98/36/50/397983650.db2.gz OQURGEICDILYOL-BBBLOLIVSA-N 1 2 243.303 0.869 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649729579 398067802 /nfs/dbraw/zinc/06/78/02/398067802.db2.gz BZWYUSMOBXFGTH-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649729579 398067804 /nfs/dbraw/zinc/06/78/04/398067804.db2.gz BZWYUSMOBXFGTH-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000649729665 398068019 /nfs/dbraw/zinc/06/80/19/398068019.db2.gz DDEHMLNVYMWPPF-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000649729665 398068021 /nfs/dbraw/zinc/06/80/21/398068021.db2.gz DDEHMLNVYMWPPF-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307691399 398069585 /nfs/dbraw/zinc/06/95/85/398069585.db2.gz PRIXZPAWINQXNM-JRKPZEMJSA-N 1 2 205.323 0.474 20 0 BCADLO CO[C@H](C)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307691399 398069588 /nfs/dbraw/zinc/06/95/88/398069588.db2.gz PRIXZPAWINQXNM-JRKPZEMJSA-N 1 2 205.323 0.474 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)c1cnn(C)n1 ZINC000283269727 398070936 /nfs/dbraw/zinc/07/09/36/398070936.db2.gz CXVVNUBBWSTBEB-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000649731844 398070951 /nfs/dbraw/zinc/07/09/51/398070951.db2.gz NQSYPGSCIWWIIN-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000649731844 398070955 /nfs/dbraw/zinc/07/09/55/398070955.db2.gz NQSYPGSCIWWIIN-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO COC[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283490039 398073543 /nfs/dbraw/zinc/07/35/43/398073543.db2.gz OAAPVNCHLNSQJO-CDAZIORVSA-N 1 2 223.276 0.822 20 0 BCADLO COC[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283490041 398074233 /nfs/dbraw/zinc/07/42/33/398074233.db2.gz OAAPVNCHLNSQJO-NWALNABHSA-N 1 2 223.276 0.822 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283509309 398074599 /nfs/dbraw/zinc/07/45/99/398074599.db2.gz PRMOXHXHOUMFKY-MPJRPATESA-N 1 2 237.259 0.491 20 0 BCADLO Cn1ncnc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000389333722 398076311 /nfs/dbraw/zinc/07/63/11/398076311.db2.gz SXLBCBPMQXIHTA-ZETCQYMHSA-N 1 2 238.213 0.218 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000649736493 398077503 /nfs/dbraw/zinc/07/75/03/398077503.db2.gz BRXHVBKZYNUUOF-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000649736493 398077505 /nfs/dbraw/zinc/07/75/05/398077505.db2.gz BRXHVBKZYNUUOF-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000649755425 398086331 /nfs/dbraw/zinc/08/63/31/398086331.db2.gz NSXCKIOYUNTXFF-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000649755425 398086335 /nfs/dbraw/zinc/08/63/35/398086335.db2.gz NSXCKIOYUNTXFF-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290987056 398087743 /nfs/dbraw/zinc/08/77/43/398087743.db2.gz WOUOUXDVCZNXIF-QWRGUYRKSA-N 1 2 235.287 0.650 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000116401566 398090392 /nfs/dbraw/zinc/09/03/92/398090392.db2.gz QKWQBEQYSNZZKH-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000116401566 398090393 /nfs/dbraw/zinc/09/03/93/398090393.db2.gz QKWQBEQYSNZZKH-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)Cn1cc[nH+]c1 ZINC000291208127 398090525 /nfs/dbraw/zinc/09/05/25/398090525.db2.gz IEORDFGDVHWLQI-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C)s1 ZINC000649763865 398091718 /nfs/dbraw/zinc/09/17/18/398091718.db2.gz HGMHVDRPEQEVEJ-RKDXNWHRSA-N 1 2 243.332 0.428 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C)s1 ZINC000649763865 398091721 /nfs/dbraw/zinc/09/17/21/398091721.db2.gz HGMHVDRPEQEVEJ-RKDXNWHRSA-N 1 2 243.332 0.428 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000280199504 398054163 /nfs/dbraw/zinc/05/41/63/398054163.db2.gz ADXBBLONRKSINB-KEMUVXCRSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000280199504 398054170 /nfs/dbraw/zinc/05/41/70/398054170.db2.gz ADXBBLONRKSINB-KEMUVXCRSA-N 1 2 227.333 0.751 20 0 BCADLO Cc1oncc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000189586269 398057991 /nfs/dbraw/zinc/05/79/91/398057991.db2.gz DQQIFAZXTDXIQU-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1oncc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000189586269 398057996 /nfs/dbraw/zinc/05/79/96/398057996.db2.gz DQQIFAZXTDXIQU-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO CCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000294177593 398124424 /nfs/dbraw/zinc/12/44/24/398124424.db2.gz JNKYNAOACHWYLK-UHFFFAOYSA-N 1 2 237.303 0.336 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)C2(CCC2)CO1 ZINC000649825746 398128052 /nfs/dbraw/zinc/12/80/52/398128052.db2.gz GACQHESAEUYRIE-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C2(CCC2)CO1 ZINC000649825746 398128054 /nfs/dbraw/zinc/12/80/54/398128054.db2.gz GACQHESAEUYRIE-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO COCC(COC)[NH2+]Cc1ccon1 ZINC000385033288 398128859 /nfs/dbraw/zinc/12/88/59/398128859.db2.gz LKAIBYREGWQCRJ-UHFFFAOYSA-N 1 2 200.238 0.426 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649211091 398129458 /nfs/dbraw/zinc/12/94/58/398129458.db2.gz ITRZYWWBTJQNKJ-FXPVBKGRSA-N 1 2 219.288 0.970 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214182 398130340 /nfs/dbraw/zinc/13/03/40/398130340.db2.gz KSUVBTNOSNXIQM-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214631 398131017 /nfs/dbraw/zinc/13/10/17/398131017.db2.gz LOLKQIZBBVMKLG-NXEZZACHSA-N 1 2 235.287 0.351 20 0 BCADLO O=C(NCC1(CO)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649213693 398131092 /nfs/dbraw/zinc/13/10/92/398131092.db2.gz IBKINMQCQYHKKO-JTQLQIEISA-N 1 2 249.314 0.334 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000385090659 398132909 /nfs/dbraw/zinc/13/29/09/398132909.db2.gz LCTKVJVKTGIFST-SCZZXKLOSA-N 1 2 208.261 0.533 20 0 BCADLO CC(C)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328894774 167024594 /nfs/dbraw/zinc/02/45/94/167024594.db2.gz VVBUKZQRBWMFDY-UWVGGRQHSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328894774 167024598 /nfs/dbraw/zinc/02/45/98/167024598.db2.gz VVBUKZQRBWMFDY-UWVGGRQHSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259932 167070727 /nfs/dbraw/zinc/07/07/27/167070727.db2.gz VZVLFRXDWYQPFS-RKDXNWHRSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000336259932 167070729 /nfs/dbraw/zinc/07/07/29/167070729.db2.gz VZVLFRXDWYQPFS-RKDXNWHRSA-N 1 2 245.298 0.653 20 0 BCADLO COCC[N@@H+](CCO)Cc1ccon1 ZINC000265839085 174294545 /nfs/dbraw/zinc/29/45/45/174294545.db2.gz NACZZWQSSQCYFZ-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO COCCOCC[N@H+](C)Cc1cocn1 ZINC000290277658 174351797 /nfs/dbraw/zinc/35/17/97/174351797.db2.gz YSPBBDLSUVKYNG-UHFFFAOYSA-N 1 2 214.265 0.769 20 0 BCADLO COCCOCC[N@@H+](C)Cc1cocn1 ZINC000290277658 174351799 /nfs/dbraw/zinc/35/17/99/174351799.db2.gz YSPBBDLSUVKYNG-UHFFFAOYSA-N 1 2 214.265 0.769 20 0 BCADLO C[N@@H+](Cc1csnn1)C[C@@H](O)C1CC1 ZINC000685461172 487529371 /nfs/dbraw/zinc/52/93/71/487529371.db2.gz RMCBBAGLLRZBIY-SECBINFHSA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1csnn1)C[C@@H](O)C1CC1 ZINC000685461172 487529372 /nfs/dbraw/zinc/52/93/72/487529372.db2.gz RMCBBAGLLRZBIY-SECBINFHSA-N 1 2 213.306 0.741 20 0 BCADLO COCc1cc(C[N@H+](C)C2(CO)CC2)no1 ZINC000668798590 487557774 /nfs/dbraw/zinc/55/77/74/487557774.db2.gz PSWKARZMDLPPCS-UHFFFAOYSA-N 1 2 226.276 0.778 20 0 BCADLO COCc1cc(C[N@@H+](C)C2(CO)CC2)no1 ZINC000668798590 487557775 /nfs/dbraw/zinc/55/77/75/487557775.db2.gz PSWKARZMDLPPCS-UHFFFAOYSA-N 1 2 226.276 0.778 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000685581340 487558365 /nfs/dbraw/zinc/55/83/65/487558365.db2.gz FMEKNGFDXZIWJQ-PHIMTYICSA-N 1 2 238.287 0.891 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000685581340 487558368 /nfs/dbraw/zinc/55/83/68/487558368.db2.gz FMEKNGFDXZIWJQ-PHIMTYICSA-N 1 2 238.287 0.891 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368331324 167154475 /nfs/dbraw/zinc/15/44/75/167154475.db2.gz NHNDXGDDAWHLGU-ZJUUUORDSA-N 1 2 213.277 0.801 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368331324 167154478 /nfs/dbraw/zinc/15/44/78/167154478.db2.gz NHNDXGDDAWHLGU-ZJUUUORDSA-N 1 2 213.277 0.801 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000075685433 167154611 /nfs/dbraw/zinc/15/46/11/167154611.db2.gz BVSHVMXWVHETNZ-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000075685433 167154614 /nfs/dbraw/zinc/15/46/14/167154614.db2.gz BVSHVMXWVHETNZ-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO Cc1nc[nH]c1C(=O)N1CC[NH+](C)CC1 ZINC000074672601 487563636 /nfs/dbraw/zinc/56/36/36/487563636.db2.gz WLKATQLPDAGPHN-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO CC(C)OCC(=O)NCCCn1cc[nH+]c1 ZINC000122002918 167186562 /nfs/dbraw/zinc/18/65/62/167186562.db2.gz CZUJGWIQEHPUFV-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO O=C(Nc1cccnn1)N1CCn2c[nH+]cc2C1 ZINC000685638938 487568719 /nfs/dbraw/zinc/56/87/19/487568719.db2.gz OFVXLNODMIRWKG-UHFFFAOYSA-N 1 2 244.258 0.721 20 0 BCADLO CCCc1nnnn1Cc1c[nH+]cn1C ZINC000530757300 322893352 /nfs/dbraw/zinc/89/33/52/322893352.db2.gz YAWWFVDTNLSCQU-UHFFFAOYSA-N 1 2 206.253 0.407 20 0 BCADLO CC(C)OCCC(=O)NCc1[nH+]ccn1C ZINC000264328170 167198509 /nfs/dbraw/zinc/19/85/09/167198509.db2.gz RZFFOXXGOZLAQI-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CO[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000674414356 487572813 /nfs/dbraw/zinc/57/28/13/487572813.db2.gz XLRAQEVDHJHIRW-JTQLQIEISA-N 1 2 245.286 0.887 20 0 BCADLO COC[C@@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000674414072 487572943 /nfs/dbraw/zinc/57/29/43/487572943.db2.gz SKXFJJUDRRPNMX-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)[C@@H]1CO ZINC000227173748 487573758 /nfs/dbraw/zinc/57/37/58/487573758.db2.gz PGKSDPMZOKGJHO-MWLCHTKSSA-N 1 2 222.288 0.781 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cn[nH]c1 ZINC000669718545 487573979 /nfs/dbraw/zinc/57/39/79/487573979.db2.gz RGQZLYRJCUHWKE-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1cn[nH]c1 ZINC000669718545 487573984 /nfs/dbraw/zinc/57/39/84/487573984.db2.gz RGQZLYRJCUHWKE-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CNC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000530955690 322902714 /nfs/dbraw/zinc/90/27/14/322902714.db2.gz HGHHSYCYTKNECQ-UHFFFAOYSA-N 1 2 231.255 0.997 20 0 BCADLO COCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000053258051 322908584 /nfs/dbraw/zinc/90/85/84/322908584.db2.gz ARBHUAYBLKLQKH-JTQLQIEISA-N 1 2 201.266 0.564 20 0 BCADLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000674470475 487585700 /nfs/dbraw/zinc/58/57/00/487585700.db2.gz PZTVAVPYCHGHSE-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1ccon1 ZINC000674470475 487585707 /nfs/dbraw/zinc/58/57/07/487585707.db2.gz PZTVAVPYCHGHSE-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000082266901 487586464 /nfs/dbraw/zinc/58/64/64/487586464.db2.gz GDKKGQQDMJIFSR-UHFFFAOYSA-N 1 2 233.275 0.816 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCc1cccnc1 ZINC000159288258 487588657 /nfs/dbraw/zinc/58/86/57/487588657.db2.gz OVKBMCOWKHQPNZ-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCc1cccnc1 ZINC000159288258 487588664 /nfs/dbraw/zinc/58/86/64/487588664.db2.gz OVKBMCOWKHQPNZ-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000372160985 167263002 /nfs/dbraw/zinc/26/30/02/167263002.db2.gz RMJICBNRJHNGKY-WDEREUQCSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000372160985 167263004 /nfs/dbraw/zinc/26/30/04/167263004.db2.gz RMJICBNRJHNGKY-WDEREUQCSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758262 167270188 /nfs/dbraw/zinc/27/01/88/167270188.db2.gz INGCYFBEQUERIB-LYOVBCGYSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758262 167270189 /nfs/dbraw/zinc/27/01/89/167270189.db2.gz INGCYFBEQUERIB-LYOVBCGYSA-N 1 2 249.376 0.225 20 0 BCADLO CCN1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC000680436211 487593691 /nfs/dbraw/zinc/59/36/91/487593691.db2.gz MZWPXKPZPNANOH-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CCN1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC000680436211 487593694 /nfs/dbraw/zinc/59/36/94/487593694.db2.gz MZWPXKPZPNANOH-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CCO[C@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000674715985 487608509 /nfs/dbraw/zinc/60/85/09/487608509.db2.gz LILAROCZRWULLV-SECBINFHSA-N 1 2 211.265 0.841 20 0 BCADLO CCO[C@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000674715985 487608514 /nfs/dbraw/zinc/60/85/14/487608514.db2.gz LILAROCZRWULLV-SECBINFHSA-N 1 2 211.265 0.841 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000660692320 409556986 /nfs/dbraw/zinc/55/69/86/409556986.db2.gz OAMNKHYDVMNHAC-RKDXNWHRSA-N 1 2 200.257 0.651 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000660692320 409556993 /nfs/dbraw/zinc/55/69/93/409556993.db2.gz OAMNKHYDVMNHAC-RKDXNWHRSA-N 1 2 200.257 0.651 20 0 BCADLO Cc1noc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000653890890 487610021 /nfs/dbraw/zinc/61/00/21/487610021.db2.gz QTHSQMXKMSRKQW-UHFFFAOYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1noc(C[N@H+](C)CC2(C)COC2)n1 ZINC000653890890 487610025 /nfs/dbraw/zinc/61/00/25/487610025.db2.gz QTHSQMXKMSRKQW-UHFFFAOYSA-N 1 2 211.265 0.846 20 0 BCADLO Nc1cccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000132543370 409549008 /nfs/dbraw/zinc/54/90/08/409549008.db2.gz DYUGVJIBERZFON-UHFFFAOYSA-N 1 2 246.314 0.584 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000660704604 409614806 /nfs/dbraw/zinc/61/48/06/409614806.db2.gz GJKVJSDGBHFSSF-NXEZZACHSA-N 1 2 234.303 0.972 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000660704607 409615528 /nfs/dbraw/zinc/61/55/28/409615528.db2.gz GJKVJSDGBHFSSF-UWVGGRQHSA-N 1 2 234.303 0.972 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCCOC)C1 ZINC000660727037 409664086 /nfs/dbraw/zinc/66/40/86/409664086.db2.gz FNILIDCSJMPUTG-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000660730458 409672923 /nfs/dbraw/zinc/67/29/23/409672923.db2.gz QSAQIYYPWHHOEW-NXEZZACHSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000662369258 409678557 /nfs/dbraw/zinc/67/85/57/409678557.db2.gz NZUIZQCOEJPBHL-JTQLQIEISA-N 1 2 246.261 0.703 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000662369258 409678563 /nfs/dbraw/zinc/67/85/63/409678563.db2.gz NZUIZQCOEJPBHL-JTQLQIEISA-N 1 2 246.261 0.703 20 0 BCADLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)sn1 ZINC000660739210 409687218 /nfs/dbraw/zinc/68/72/18/409687218.db2.gz NPBWJACVZSDYKY-MRVPVSSYSA-N 1 2 241.316 0.601 20 0 BCADLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)sn1 ZINC000660739210 409687229 /nfs/dbraw/zinc/68/72/29/409687229.db2.gz NPBWJACVZSDYKY-MRVPVSSYSA-N 1 2 241.316 0.601 20 0 BCADLO COCC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000655252731 409754439 /nfs/dbraw/zinc/75/44/39/409754439.db2.gz VQMKVNXNJNUPIJ-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000660799951 409761313 /nfs/dbraw/zinc/76/13/13/409761313.db2.gz YUGZYZFEZXVBOK-LBPRGKRZSA-N 1 2 236.319 0.848 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000660799951 409761323 /nfs/dbraw/zinc/76/13/23/409761323.db2.gz YUGZYZFEZXVBOK-LBPRGKRZSA-N 1 2 236.319 0.848 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(N)nc1 ZINC000050813437 409932059 /nfs/dbraw/zinc/93/20/59/409932059.db2.gz FBNDLJQMMPEUBQ-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N)nc1 ZINC000050813437 409932065 /nfs/dbraw/zinc/93/20/65/409932065.db2.gz FBNDLJQMMPEUBQ-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO Cc1c[nH]c(CN(CC(N)=O)C(C)C)[nH+]1 ZINC000628120360 410021849 /nfs/dbraw/zinc/02/18/49/410021849.db2.gz JSLPRZJUCZXHRN-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cc1c[nH]c(CN2CCN(C(=O)C3CC3)CC2)[nH+]1 ZINC000628120375 410021858 /nfs/dbraw/zinc/02/18/58/410021858.db2.gz KMDMTPYBJGSMLQ-UHFFFAOYSA-N 1 2 248.330 0.772 20 0 BCADLO CSCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600426880 410042732 /nfs/dbraw/zinc/04/27/32/410042732.db2.gz VOQKFYJWSMEEKP-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO CSCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600426880 410042737 /nfs/dbraw/zinc/04/27/37/410042737.db2.gz VOQKFYJWSMEEKP-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000671539903 487613565 /nfs/dbraw/zinc/61/35/65/487613565.db2.gz RBZZSFFIEAQPKG-QMMMGPOBSA-N 1 2 236.275 0.222 20 0 BCADLO NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000671539903 487613574 /nfs/dbraw/zinc/61/35/74/487613574.db2.gz RBZZSFFIEAQPKG-QMMMGPOBSA-N 1 2 236.275 0.222 20 0 BCADLO C[C@@H](CC(=O)N1CCCCN1)n1cc[nH+]c1 ZINC000653172519 410144422 /nfs/dbraw/zinc/14/44/22/410144422.db2.gz QQQYOCAKFOTLOT-JTQLQIEISA-N 1 2 222.292 0.961 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401395 410205436 /nfs/dbraw/zinc/20/54/36/410205436.db2.gz VMLLXOXNRRSNTK-HTQZYQBOSA-N 1 2 238.291 0.502 20 0 BCADLO Cc1cn2ccc(C(=O)NCCCO)cc2[nH+]1 ZINC000071540716 410416616 /nfs/dbraw/zinc/41/66/16/410416616.db2.gz NFESXAZZDXURNR-UHFFFAOYSA-N 1 2 233.271 0.755 20 0 BCADLO Cc1cn2ccc(C(=O)NCCO)cc2[nH+]1 ZINC000071540715 410417360 /nfs/dbraw/zinc/41/73/60/410417360.db2.gz NSUPLGPCHNBDNI-UHFFFAOYSA-N 1 2 219.244 0.365 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1(O)CCC1 ZINC000664039404 410441342 /nfs/dbraw/zinc/44/13/42/410441342.db2.gz KGGBFQLCQXCGPV-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1(O)CCC1 ZINC000664039404 410441345 /nfs/dbraw/zinc/44/13/45/410441345.db2.gz KGGBFQLCQXCGPV-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO Nc1c(N[C@H]2C[C@H](O)C2)[nH+]cnc1-n1cccn1 ZINC000664643306 410614135 /nfs/dbraw/zinc/61/41/35/410614135.db2.gz WQHXTTLBAUYYGS-ZKCHVHJHSA-N 1 2 246.274 0.180 20 0 BCADLO CC[C@H](CO)N(C)c1cc(CO)cc[nH+]1 ZINC000393303222 410675887 /nfs/dbraw/zinc/67/58/87/410675887.db2.gz JOSYNNXSUGAEJN-SNVBAGLBSA-N 1 2 210.277 0.781 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CCO ZINC000661498932 410710203 /nfs/dbraw/zinc/71/02/03/410710203.db2.gz NMBPESCAQZRZGX-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CCO ZINC000661498932 410710205 /nfs/dbraw/zinc/71/02/05/410710205.db2.gz NMBPESCAQZRZGX-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CC(=O)N1CCC[C@@H](O)C1)n1cc[nH+]c1 ZINC000651084103 410789491 /nfs/dbraw/zinc/78/94/91/410789491.db2.gz YTXVPFZIQWVLFZ-GHMZBOCLSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177757686 410814419 /nfs/dbraw/zinc/81/44/19/410814419.db2.gz XMZXLRRYHNVSRM-VIFPVBQESA-N 1 2 248.286 0.514 20 0 BCADLO CC1(C)C[N@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309320803 410824472 /nfs/dbraw/zinc/82/44/72/410824472.db2.gz PDYRSIYASKTXEN-JTQLQIEISA-N 1 2 225.292 0.381 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309320803 410824479 /nfs/dbraw/zinc/82/44/79/410824479.db2.gz PDYRSIYASKTXEN-JTQLQIEISA-N 1 2 225.292 0.381 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000661562262 410834466 /nfs/dbraw/zinc/83/44/66/410834466.db2.gz NXLICSNSLDWSJL-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccnc(C[N@H+]2CCOC[C@H]2CO)c1 ZINC000661562262 410834474 /nfs/dbraw/zinc/83/44/74/410834474.db2.gz NXLICSNSLDWSJL-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO OCc1cc[nH+]c(N2CCC(CO)CC2)c1 ZINC000040863772 410896571 /nfs/dbraw/zinc/89/65/71/410896571.db2.gz SYHCPXOOAZUMJL-UHFFFAOYSA-N 1 2 222.288 0.783 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000071114764 167048990 /nfs/dbraw/zinc/04/89/90/167048990.db2.gz RNWOXIBTNSDLHR-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000368326350 167054037 /nfs/dbraw/zinc/05/40/37/167054037.db2.gz CPVMJNWMUSMNTO-UHFFFAOYSA-N 1 2 233.315 0.964 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000368326350 167054038 /nfs/dbraw/zinc/05/40/38/167054038.db2.gz CPVMJNWMUSMNTO-UHFFFAOYSA-N 1 2 233.315 0.964 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000278850679 167059562 /nfs/dbraw/zinc/05/95/62/167059562.db2.gz DWHKZUNEJHPKEP-QMMMGPOBSA-N 1 2 210.281 0.585 20 0 BCADLO CC(C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280811149 167082080 /nfs/dbraw/zinc/08/20/80/167082080.db2.gz RETUJKKVVWMPLX-SNVBAGLBSA-N 1 2 224.308 0.547 20 0 BCADLO CC(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364024146 167083325 /nfs/dbraw/zinc/08/33/25/167083325.db2.gz VRGKZCDTGDIESS-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO CC(C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000309348306 167122910 /nfs/dbraw/zinc/12/29/10/167122910.db2.gz MFDXUWNKEUYPSG-UHFFFAOYSA-N 1 2 246.336 0.036 20 0 BCADLO CC(C)OCCNC(=O)NCCn1cc[nH+]c1 ZINC000183672879 167238882 /nfs/dbraw/zinc/23/88/82/167238882.db2.gz IIOHXXZXZLDAAC-UHFFFAOYSA-N 1 2 240.307 0.607 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758261 167270445 /nfs/dbraw/zinc/27/04/45/167270445.db2.gz INGCYFBEQUERIB-GLKRBJQHSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758261 167270446 /nfs/dbraw/zinc/27/04/46/167270446.db2.gz INGCYFBEQUERIB-GLKRBJQHSA-N 1 2 249.376 0.225 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)n1cncn1 ZINC000565601610 322927914 /nfs/dbraw/zinc/92/79/14/322927914.db2.gz ZQVTYPHEGYTKJE-QMMMGPOBSA-N 1 2 248.290 0.614 20 0 BCADLO CC(C)[C@@H](C)[NH2+]N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377036374 167383836 /nfs/dbraw/zinc/38/38/36/167383836.db2.gz YXMINMQDALYIFC-OUAUKWLOSA-N 1 2 246.376 0.654 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](O)C1 ZINC000651427148 411015338 /nfs/dbraw/zinc/01/53/38/411015338.db2.gz JFCZEIICFMZIII-LLVKDONJSA-N 1 2 249.314 0.355 20 0 BCADLO CC[C@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363829837 410960879 /nfs/dbraw/zinc/96/08/79/410960879.db2.gz OOLBTLTWEZMRRH-SNVBAGLBSA-N 1 2 232.287 1.450 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cc(C)[nH+]cn1 ZINC000651418019 410998932 /nfs/dbraw/zinc/99/89/32/410998932.db2.gz OZWSBLAYLVSDED-NXEZZACHSA-N 1 2 223.276 0.371 20 0 BCADLO CCN1C[C@H](CNc2cc[nH+]c(C)n2)CC1=O ZINC000651422873 411009094 /nfs/dbraw/zinc/00/90/94/411009094.db2.gz PLUHYYHCONZNBU-JTQLQIEISA-N 1 2 234.303 0.487 20 0 BCADLO CCN1C[C@H](CNc2cc(C)[nH+]cn2)CC1=O ZINC000651422434 411010273 /nfs/dbraw/zinc/01/02/73/411010273.db2.gz ZXMGLSAHMNKCIP-JTQLQIEISA-N 1 2 234.303 0.487 20 0 BCADLO CCc1cc(NC[C@H]2CC(=O)N(CC)C2)nc[nH+]1 ZINC000651422072 411010308 /nfs/dbraw/zinc/01/03/08/411010308.db2.gz LMNIBNJOFFTNKC-SNVBAGLBSA-N 1 2 248.330 0.741 20 0 BCADLO Nc1[nH+]cnc(N[C@H](CO)CCF)c1Cl ZINC000651463473 411046479 /nfs/dbraw/zinc/04/64/79/411046479.db2.gz UYOKBVLVNKNDRA-YFKPBYRVSA-N 1 2 234.662 0.845 20 0 BCADLO Nc1nc[nH+]c(N[C@H](CO)CCF)c1Cl ZINC000651463473 411046482 /nfs/dbraw/zinc/04/64/82/411046482.db2.gz UYOKBVLVNKNDRA-YFKPBYRVSA-N 1 2 234.662 0.845 20 0 BCADLO C[C@@H](CCO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000651471679 411051859 /nfs/dbraw/zinc/05/18/59/411051859.db2.gz ALDIURZFHBFHSV-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@@H](CCO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000651471679 411051866 /nfs/dbraw/zinc/05/18/66/411051866.db2.gz ALDIURZFHBFHSV-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651430156 411018534 /nfs/dbraw/zinc/01/85/34/411018534.db2.gz GPOAHPYXLTUGPR-UWVGGRQHSA-N 1 2 225.292 0.673 20 0 BCADLO CCN1C[C@@H]([NH2+][C@H](C)c2cn[nH]c2C)CC1=O ZINC000651434884 411027564 /nfs/dbraw/zinc/02/75/64/411027564.db2.gz XTBBINCVEPTTBG-SCZZXKLOSA-N 1 2 236.319 0.990 20 0 BCADLO C[C@@H](CC(=O)NC1(CO)CCC1)n1cc[nH+]c1 ZINC000651625367 411131385 /nfs/dbraw/zinc/13/13/85/411131385.db2.gz BALIKLLSTHXPAB-JTQLQIEISA-N 1 2 237.303 0.865 20 0 BCADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCC2 ZINC000107628413 411137821 /nfs/dbraw/zinc/13/78/21/411137821.db2.gz ZPKUIOAMTWCOKN-SECBINFHSA-N 1 2 209.293 0.936 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CCOCC2CC2)C1=O ZINC000659998848 411163545 /nfs/dbraw/zinc/16/35/45/411163545.db2.gz UIJJEFZETONFGB-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CCOCC2CC2)C1=O ZINC000659998848 411163550 /nfs/dbraw/zinc/16/35/50/411163550.db2.gz UIJJEFZETONFGB-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cc(C)no1 ZINC000044991292 411143156 /nfs/dbraw/zinc/14/31/56/411143156.db2.gz DCFKYZWTQIDMTI-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000331124776 411163662 /nfs/dbraw/zinc/16/36/62/411163662.db2.gz AYYRETMSZRPNEY-UHFFFAOYSA-N 1 2 212.297 0.742 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000331124776 411163665 /nfs/dbraw/zinc/16/36/65/411163665.db2.gz AYYRETMSZRPNEY-UHFFFAOYSA-N 1 2 212.297 0.742 20 0 BCADLO CNC(=O)CCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636652 411153459 /nfs/dbraw/zinc/15/34/59/411153459.db2.gz IESMUGNKWSXTNU-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)CCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636652 411153461 /nfs/dbraw/zinc/15/34/61/411153461.db2.gz IESMUGNKWSXTNU-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CCOC[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659982490 411153658 /nfs/dbraw/zinc/15/36/58/411153658.db2.gz OEGUFFKUXBCYLW-SNVBAGLBSA-N 1 2 224.308 0.706 20 0 BCADLO CCOC[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659982490 411153659 /nfs/dbraw/zinc/15/36/59/411153659.db2.gz OEGUFFKUXBCYLW-SNVBAGLBSA-N 1 2 224.308 0.706 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636505 411153928 /nfs/dbraw/zinc/15/39/28/411153928.db2.gz AVHTWKVDKFTLLS-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636505 411153932 /nfs/dbraw/zinc/15/39/32/411153932.db2.gz AVHTWKVDKFTLLS-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCCN1 ZINC000400280061 411154054 /nfs/dbraw/zinc/15/40/54/411154054.db2.gz APRXNWLSCGNJIY-UHFFFAOYSA-N 1 2 208.265 0.400 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000659985326 411156120 /nfs/dbraw/zinc/15/61/20/411156120.db2.gz HHMSOEHPHVBBTE-LDYMZIIASA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000659985326 411156123 /nfs/dbraw/zinc/15/61/23/411156123.db2.gz HHMSOEHPHVBBTE-LDYMZIIASA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](CC)CCO)[nH]1 ZINC000659878086 411169483 /nfs/dbraw/zinc/16/94/83/411169483.db2.gz KJXJGHJBHGKSQH-MRVPVSSYSA-N 1 2 212.297 0.742 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](CC)CCO)[nH]1 ZINC000659878086 411169487 /nfs/dbraw/zinc/16/94/87/411169487.db2.gz KJXJGHJBHGKSQH-MRVPVSSYSA-N 1 2 212.297 0.742 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCCC[C@@H]2CO)[nH]1 ZINC000653783517 411170478 /nfs/dbraw/zinc/17/04/78/411170478.db2.gz MGYOPWBJIWZWJR-MRVPVSSYSA-N 1 2 226.280 0.247 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCCC[C@@H]2CO)[nH]1 ZINC000653783517 411170481 /nfs/dbraw/zinc/17/04/81/411170481.db2.gz MGYOPWBJIWZWJR-MRVPVSSYSA-N 1 2 226.280 0.247 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777016 411171134 /nfs/dbraw/zinc/17/11/34/411171134.db2.gz CPYXRTREMXFXBM-UTUOFQBUSA-N 1 2 249.314 0.789 20 0 BCADLO CC(C)Cc1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000643194227 411176685 /nfs/dbraw/zinc/17/66/85/411176685.db2.gz LFTPACGGCXNDJB-UHFFFAOYSA-N 1 2 247.302 1.443 20 0 BCADLO CC(C)n1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)nn1 ZINC000329410178 167745063 /nfs/dbraw/zinc/74/50/63/167745063.db2.gz DNVOAJQZSZMVHE-GHMZBOCLSA-N 1 2 240.307 0.051 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)nn1 ZINC000329410178 167745065 /nfs/dbraw/zinc/74/50/65/167745065.db2.gz DNVOAJQZSZMVHE-GHMZBOCLSA-N 1 2 240.307 0.051 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(=O)NC(C)C ZINC000656106696 411179558 /nfs/dbraw/zinc/17/95/58/411179558.db2.gz WTYYWXGXKPXDMI-UHFFFAOYSA-N 1 2 238.291 0.730 20 0 BCADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)nn1C ZINC000653794290 411180758 /nfs/dbraw/zinc/18/07/58/411180758.db2.gz PPRNIHFBXHPURB-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cc(C[N@H+]2CCn3nncc3C2)nn1C ZINC000653794290 411180760 /nfs/dbraw/zinc/18/07/60/411180760.db2.gz PPRNIHFBXHPURB-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@H](O)C1CC1 ZINC000656118278 411182090 /nfs/dbraw/zinc/18/20/90/411182090.db2.gz KYPOFHUHSCBIPU-SECBINFHSA-N 1 2 223.276 0.976 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@H](CO)C1 ZINC000656128660 411184412 /nfs/dbraw/zinc/18/44/12/411184412.db2.gz YTDDVFUULVULML-SECBINFHSA-N 1 2 223.276 0.612 20 0 BCADLO COc1c(C)[nH+]cnc1NCC1(CO)COC1 ZINC000656150591 411187540 /nfs/dbraw/zinc/18/75/40/411187540.db2.gz YGTZOZMDPHJJDR-UHFFFAOYSA-N 1 2 239.275 0.214 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1CNC(=O)C1 ZINC000656153314 411188623 /nfs/dbraw/zinc/18/86/23/411188623.db2.gz OSBAHVMRURHRDU-SSDOTTSWSA-N 1 2 222.248 0.094 20 0 BCADLO COc1c(C)[nH+]cnc1NCCCCO ZINC000656180707 411193793 /nfs/dbraw/zinc/19/37/93/411193793.db2.gz KPCQEOHTEMZGDA-UHFFFAOYSA-N 1 2 211.265 0.978 20 0 BCADLO Cc1[nH]ncc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656195631 411200772 /nfs/dbraw/zinc/20/07/72/411200772.db2.gz DPOSFVUQJYTVSC-ZETCQYMHSA-N 1 2 222.214 0.697 20 0 BCADLO CC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000420632879 411201905 /nfs/dbraw/zinc/20/19/05/411201905.db2.gz XWXNRVICZHPSSW-SECBINFHSA-N 1 2 236.319 0.647 20 0 BCADLO CC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420632879 411201909 /nfs/dbraw/zinc/20/19/09/411201909.db2.gz XWXNRVICZHPSSW-SECBINFHSA-N 1 2 236.319 0.647 20 0 BCADLO COc1ccc(C(=O)NCCc2cn(C)c[nH+]2)o1 ZINC000653875287 411205676 /nfs/dbraw/zinc/20/56/76/411205676.db2.gz SWYGUVMBLSEJQN-UHFFFAOYSA-N 1 2 249.270 0.994 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401510925 411207597 /nfs/dbraw/zinc/20/75/97/411207597.db2.gz VVBLUQSIWYAXNL-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401510925 411207600 /nfs/dbraw/zinc/20/76/00/411207600.db2.gz VVBLUQSIWYAXNL-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000653889965 411209713 /nfs/dbraw/zinc/20/97/13/411209713.db2.gz PSKVMTHQEVRYRR-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000653889965 411209715 /nfs/dbraw/zinc/20/97/15/411209715.db2.gz PSKVMTHQEVRYRR-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC(=O)NC(C)C)n1 ZINC000653890700 411209839 /nfs/dbraw/zinc/20/98/39/411209839.db2.gz KADWLQYYJYTGMZ-UHFFFAOYSA-N 1 2 240.307 0.725 20 0 BCADLO Cc1noc(C[N@H+](C)CCC(=O)NC(C)C)n1 ZINC000653890700 411209841 /nfs/dbraw/zinc/20/98/41/411209841.db2.gz KADWLQYYJYTGMZ-UHFFFAOYSA-N 1 2 240.307 0.725 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H](O)COC(C)C)n1 ZINC000653890483 411210159 /nfs/dbraw/zinc/21/01/59/411210159.db2.gz BNUHKAYZWNEOKA-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H](O)COC(C)C)n1 ZINC000653890483 411210163 /nfs/dbraw/zinc/21/01/63/411210163.db2.gz BNUHKAYZWNEOKA-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO Cc1nc(N[C@@H]2CCc3c(nnn3C)C2)cc[nH+]1 ZINC000656219653 411212063 /nfs/dbraw/zinc/21/20/63/411212063.db2.gz XEGBZNGBEUJLAU-SECBINFHSA-N 1 2 244.302 0.883 20 0 BCADLO C[C@@H](O)CN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC000656227812 411213903 /nfs/dbraw/zinc/21/39/03/411213903.db2.gz QRXWYBWZGBVMDW-MRVPVSSYSA-N 1 2 247.302 0.713 20 0 BCADLO CCc1noc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653897548 411214066 /nfs/dbraw/zinc/21/40/66/411214066.db2.gz PQZBUVLIRGHYHM-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653897548 411214067 /nfs/dbraw/zinc/21/40/67/411214067.db2.gz PQZBUVLIRGHYHM-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@H](O)C[N@H+](Cc1nncn1C)C1CC1 ZINC000653900634 411216023 /nfs/dbraw/zinc/21/60/23/411216023.db2.gz DPEIMCRRWYNSNY-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1nncn1C)C1CC1 ZINC000653900634 411216025 /nfs/dbraw/zinc/21/60/25/411216025.db2.gz DPEIMCRRWYNSNY-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1ncccn1)C1CC1 ZINC000653902191 411217082 /nfs/dbraw/zinc/21/70/82/411217082.db2.gz MVYDRRGBNUBRSK-SECBINFHSA-N 1 2 207.277 0.822 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1ncccn1)C1CC1 ZINC000653902191 411217083 /nfs/dbraw/zinc/21/70/83/411217083.db2.gz MVYDRRGBNUBRSK-SECBINFHSA-N 1 2 207.277 0.822 20 0 BCADLO Cc1nc(NCc2ccnc3ccnn32)cc[nH+]1 ZINC000349871439 411217391 /nfs/dbraw/zinc/21/73/91/411217391.db2.gz YNWIJAVZNSXJIS-UHFFFAOYSA-N 1 2 240.270 1.440 20 0 BCADLO CN(CC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000049370961 411232113 /nfs/dbraw/zinc/23/21/13/411232113.db2.gz KLDSPVSPVNHRQK-UHFFFAOYSA-N 1 2 222.292 0.935 20 0 BCADLO Cn1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000652411050 411232596 /nfs/dbraw/zinc/23/25/96/411232596.db2.gz WRDNHRBEYUMCNA-UHFFFAOYSA-N 1 2 233.275 0.808 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000336254466 411247975 /nfs/dbraw/zinc/24/79/75/411247975.db2.gz HNDNGBJDQZEZIF-PHIMTYICSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000336254466 411247978 /nfs/dbraw/zinc/24/79/78/411247978.db2.gz HNDNGBJDQZEZIF-PHIMTYICSA-N 1 2 227.352 0.489 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C[C@@H]2CCSC2)CC1 ZINC000425982493 411167620 /nfs/dbraw/zinc/16/76/20/411167620.db2.gz XEGNJFCHQOERCL-NEPJUHHUSA-N 1 2 244.404 0.738 20 0 BCADLO CC[C@@H]([NH2+]CCCNC(C)=O)C(=O)OC ZINC000192831687 411262035 /nfs/dbraw/zinc/26/20/35/411262035.db2.gz VCCUSOQLBPSXDX-SECBINFHSA-N 1 2 216.281 0.054 20 0 BCADLO C[N@H+](CCO)Cc1cn(C2CCC2)nn1 ZINC000656455664 411263961 /nfs/dbraw/zinc/26/39/61/411263961.db2.gz MGRCWMHVODYWKO-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C2CCC2)nn1 ZINC000656455664 411263964 /nfs/dbraw/zinc/26/39/64/411263964.db2.gz MGRCWMHVODYWKO-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO FCCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656457554 411267043 /nfs/dbraw/zinc/26/70/43/411267043.db2.gz OIJXVJRDXYTUDA-JTQLQIEISA-N 1 2 228.271 0.689 20 0 BCADLO CCOC1CC([NH2+]Cc2nc(COC)n[nH]2)C1 ZINC000658158173 411271166 /nfs/dbraw/zinc/27/11/66/411271166.db2.gz GVHQPUGCFHXTAA-UHFFFAOYSA-N 1 2 240.307 0.608 20 0 BCADLO CCOC1CC([NH2+]Cc2nnc(COC)[nH]2)C1 ZINC000658158173 411271168 /nfs/dbraw/zinc/27/11/68/411271168.db2.gz GVHQPUGCFHXTAA-UHFFFAOYSA-N 1 2 240.307 0.608 20 0 BCADLO Cc1nc(NC[C@@H]2CCCC2(F)F)nc(N)[nH+]1 ZINC000391000359 411274470 /nfs/dbraw/zinc/27/44/70/411274470.db2.gz UFISZYPPDIZOSJ-ZETCQYMHSA-N 1 2 243.261 1.031 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCC2(F)F)[nH+]1 ZINC000391000359 411274473 /nfs/dbraw/zinc/27/44/73/411274473.db2.gz UFISZYPPDIZOSJ-ZETCQYMHSA-N 1 2 243.261 1.031 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC/C=C\CO ZINC000656472626 411276852 /nfs/dbraw/zinc/27/68/52/411276852.db2.gz LYFKHOPTEPFXAK-IHWYPQMZSA-N 1 2 219.248 0.324 20 0 BCADLO COCC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000654094273 411333151 /nfs/dbraw/zinc/33/31/51/411333151.db2.gz GJWAEDWXSDIURN-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1nc(N2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000380023491 411283623 /nfs/dbraw/zinc/28/36/23/411283623.db2.gz OSHKVMXXPSGPMS-ZETCQYMHSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H](C)C2)[nH+]1 ZINC000380023491 411283626 /nfs/dbraw/zinc/28/36/26/411283626.db2.gz OSHKVMXXPSGPMS-ZETCQYMHSA-N 1 2 207.281 0.999 20 0 BCADLO Cc1nc(N[C@@H](CO)CC2CCC2)nc(N)[nH+]1 ZINC000631257214 411283846 /nfs/dbraw/zinc/28/38/46/411283846.db2.gz WYPRMSJLXPXHDB-SECBINFHSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)CC2CCC2)[nH+]1 ZINC000631257214 411283853 /nfs/dbraw/zinc/28/38/53/411283853.db2.gz WYPRMSJLXPXHDB-SECBINFHSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N2CC[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000400143662 411283957 /nfs/dbraw/zinc/28/39/57/411283957.db2.gz ZZKRGEFYKXFBHE-SECBINFHSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000400143662 411283959 /nfs/dbraw/zinc/28/39/59/411283959.db2.gz ZZKRGEFYKXFBHE-SECBINFHSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N2CC[C@@H](CCCO)C2)nc(N)[nH+]1 ZINC000631304893 411284022 /nfs/dbraw/zinc/28/40/22/411284022.db2.gz LBBSHRJAJGNZHE-SECBINFHSA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](CCCO)C2)[nH+]1 ZINC000631304893 411284025 /nfs/dbraw/zinc/28/40/25/411284025.db2.gz LBBSHRJAJGNZHE-SECBINFHSA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631253560 411285060 /nfs/dbraw/zinc/28/50/60/411285060.db2.gz HUBZWMUJMUTNMJ-OIBJUYFYSA-N 1 2 249.318 0.766 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)O[C@@H](C3CC3)C2)[nH+]1 ZINC000631253560 411285064 /nfs/dbraw/zinc/28/50/64/411285064.db2.gz HUBZWMUJMUTNMJ-OIBJUYFYSA-N 1 2 249.318 0.766 20 0 BCADLO O=C(NC/C=C\CO)NCCCn1cc[nH+]c1 ZINC000656542195 411294674 /nfs/dbraw/zinc/29/46/74/411294674.db2.gz CCXKLRNLDKROCY-UPHRSURJSA-N 1 2 238.291 0.121 20 0 BCADLO COC1(C)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000660205330 411297356 /nfs/dbraw/zinc/29/73/56/411297356.db2.gz AKIBASZFGIVZIT-UHFFFAOYSA-N 1 2 224.308 0.848 20 0 BCADLO CCN(C#N)CC[N@H+](C)Cc1cnn(C)c1 ZINC000602756740 411298612 /nfs/dbraw/zinc/29/86/12/411298612.db2.gz OPWVYTBXVFERIH-UHFFFAOYSA-N 1 2 221.308 0.655 20 0 BCADLO CCN(C#N)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000602756740 411298619 /nfs/dbraw/zinc/29/86/19/411298619.db2.gz OPWVYTBXVFERIH-UHFFFAOYSA-N 1 2 221.308 0.655 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1nccn1C ZINC000162507818 411298959 /nfs/dbraw/zinc/29/89/59/411298959.db2.gz IAMKRNZRTYSUDP-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO C[NH+](C)[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000062985299 411330402 /nfs/dbraw/zinc/33/04/02/411330402.db2.gz VKDATVLUNJAIDD-JTQLQIEISA-N 1 2 235.287 0.920 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCO[C@@H](CO)C2)n1 ZINC000402884003 411320417 /nfs/dbraw/zinc/32/04/17/411320417.db2.gz AQXNPWLZCZLMKB-GFCCVEGCSA-N 1 2 237.303 0.021 20 0 BCADLO Cc1cncc(CC[N@H+]2CCO[C@@H](CO)C2)n1 ZINC000402884003 411320419 /nfs/dbraw/zinc/32/04/19/411320419.db2.gz AQXNPWLZCZLMKB-GFCCVEGCSA-N 1 2 237.303 0.021 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000656446230 411255024 /nfs/dbraw/zinc/25/50/24/411255024.db2.gz OVYUOYMKIUGNQN-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000656446230 411255028 /nfs/dbraw/zinc/25/50/28/411255028.db2.gz OVYUOYMKIUGNQN-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[N@H+](CCO)Cc1cn(-c2ccc(O)cc2)nn1 ZINC000656441103 411259796 /nfs/dbraw/zinc/25/97/96/411259796.db2.gz SQXCPGRIBWHRBB-UHFFFAOYSA-N 1 2 248.286 0.397 20 0 BCADLO C[N@@H+](CCO)Cc1cn(-c2ccc(O)cc2)nn1 ZINC000656441103 411259800 /nfs/dbraw/zinc/25/98/00/411259800.db2.gz SQXCPGRIBWHRBB-UHFFFAOYSA-N 1 2 248.286 0.397 20 0 BCADLO COCC[N@H+](CCO)Cc1cc(OC)no1 ZINC000659873308 411357704 /nfs/dbraw/zinc/35/77/04/411357704.db2.gz LKZYQOXCKOMMEN-UHFFFAOYSA-N 1 2 230.264 0.124 20 0 BCADLO COCC[N@@H+](CCO)Cc1cc(OC)no1 ZINC000659873308 411357706 /nfs/dbraw/zinc/35/77/06/411357706.db2.gz LKZYQOXCKOMMEN-UHFFFAOYSA-N 1 2 230.264 0.124 20 0 BCADLO C[C@H](CCO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000652957251 411358483 /nfs/dbraw/zinc/35/84/83/411358483.db2.gz KDEMEMOHCJWREW-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283130740 168007307 /nfs/dbraw/zinc/00/73/07/168007307.db2.gz NLZZUJQHWUUUPM-HIHHVFROSA-N 1 2 235.287 0.699 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCCCn1cc[nH+]c1 ZINC000654370025 411379232 /nfs/dbraw/zinc/37/92/32/411379232.db2.gz WTCAGQHOLIJSSS-LBPRGKRZSA-N 1 2 239.319 0.798 20 0 BCADLO CC[C@H]1[C@H](CO)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660673124 411381092 /nfs/dbraw/zinc/38/10/92/411381092.db2.gz ZZXKIOAJBYYDPK-ONGXEEELSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@H]1[C@H](CO)CC[N@H+]1CCc1cnn[nH]1 ZINC000660673124 411381095 /nfs/dbraw/zinc/38/10/95/411381095.db2.gz ZZXKIOAJBYYDPK-ONGXEEELSA-N 1 2 224.308 0.440 20 0 BCADLO CC1CC(NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000331467427 168142003 /nfs/dbraw/zinc/14/20/03/168142003.db2.gz SYQSXVMFNVMJTC-UHFFFAOYSA-N 1 2 241.335 0.416 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000338193807 168188643 /nfs/dbraw/zinc/18/86/43/168188643.db2.gz YSEFVJGHCQJDJZ-SNVBAGLBSA-N 1 2 219.288 0.924 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000336242314 168196955 /nfs/dbraw/zinc/19/69/55/168196955.db2.gz BBAAXONLEWPRCD-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000336242314 168196958 /nfs/dbraw/zinc/19/69/58/168196958.db2.gz BBAAXONLEWPRCD-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330825510 168198156 /nfs/dbraw/zinc/19/81/56/168198156.db2.gz FQXDGUIXYMTNFY-SNVBAGLBSA-N 1 2 228.292 0.982 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330825510 168198158 /nfs/dbraw/zinc/19/81/58/168198158.db2.gz FQXDGUIXYMTNFY-SNVBAGLBSA-N 1 2 228.292 0.982 20 0 BCADLO CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000335708702 168220998 /nfs/dbraw/zinc/22/09/98/168220998.db2.gz SUVSWXJCZULFSH-LLVKDONJSA-N 1 2 219.288 0.965 20 0 BCADLO CCC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331239533 168221713 /nfs/dbraw/zinc/22/17/13/168221713.db2.gz MBVGMNBDESVJPW-VIFPVBQESA-N 1 2 243.307 0.091 20 0 BCADLO CCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331239533 168221714 /nfs/dbraw/zinc/22/17/14/168221714.db2.gz MBVGMNBDESVJPW-VIFPVBQESA-N 1 2 243.307 0.091 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000331151146 168237099 /nfs/dbraw/zinc/23/70/99/168237099.db2.gz HYZTULDCILHTPO-LLVKDONJSA-N 1 2 248.330 0.967 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000331151146 168237102 /nfs/dbraw/zinc/23/71/02/168237102.db2.gz HYZTULDCILHTPO-LLVKDONJSA-N 1 2 248.330 0.967 20 0 BCADLO CCC(C)(C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365790292 168268069 /nfs/dbraw/zinc/26/80/69/168268069.db2.gz SJSDGXURCWRTEF-DTWKUNHWSA-N 1 2 242.319 0.442 20 0 BCADLO c1c2c(nnc1NCC[NH+]1CCOCC1)CCC2 ZINC000621739945 411387661 /nfs/dbraw/zinc/38/76/61/411387661.db2.gz HDUUNVLVORLCEV-UHFFFAOYSA-N 1 2 248.330 0.709 20 0 BCADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(C)O ZINC000654850315 411455164 /nfs/dbraw/zinc/45/51/64/411455164.db2.gz MWCGBCPCGLNDKD-DTWKUNHWSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000654850315 411455166 /nfs/dbraw/zinc/45/51/66/411455166.db2.gz MWCGBCPCGLNDKD-DTWKUNHWSA-N 1 2 239.319 0.864 20 0 BCADLO COC[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078251156 411399317 /nfs/dbraw/zinc/39/93/17/411399317.db2.gz CRCIGVOCZDSQFB-SNVBAGLBSA-N 1 2 211.265 0.594 20 0 BCADLO CCOCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654531492 411409250 /nfs/dbraw/zinc/40/92/50/411409250.db2.gz ZXYRLJHZXZILLN-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO CCOCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654531492 411409255 /nfs/dbraw/zinc/40/92/55/411409255.db2.gz ZXYRLJHZXZILLN-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO Cc1nccc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000654554618 411411890 /nfs/dbraw/zinc/41/18/90/411411890.db2.gz LHSFBNKQBDRQOS-UHFFFAOYSA-N 1 2 248.330 0.743 20 0 BCADLO CCN(CCOC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339677925 169863273 /nfs/dbraw/zinc/86/32/73/169863273.db2.gz FNRSNLOJSQDJRC-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405070511 411415655 /nfs/dbraw/zinc/41/56/55/411415655.db2.gz GWDQZYMPHLXSHL-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405070511 411415656 /nfs/dbraw/zinc/41/56/56/411415656.db2.gz GWDQZYMPHLXSHL-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO C[C@@H](C(=O)Nc1ccnn1C)[NH+]1CC(C)C1 ZINC000654668347 411426183 /nfs/dbraw/zinc/42/61/83/411426183.db2.gz JCXNIIRKDCIUNQ-VIFPVBQESA-N 1 2 222.292 0.699 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654915288 411463406 /nfs/dbraw/zinc/46/34/06/411463406.db2.gz DIHANIVTXGHALO-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654915288 411463407 /nfs/dbraw/zinc/46/34/07/411463407.db2.gz DIHANIVTXGHALO-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1nn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)o1 ZINC000657278873 411439152 /nfs/dbraw/zinc/43/91/52/411439152.db2.gz IXUCXRVQOFUYCM-RKDXNWHRSA-N 1 2 241.291 0.254 20 0 BCADLO C[C@@H](CO)[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653615683 411440920 /nfs/dbraw/zinc/44/09/20/411440920.db2.gz UGSLZOKEECHMNM-IUCAKERBSA-N 1 2 241.339 0.535 20 0 BCADLO c1nc(CC[NH2+]Cc2cc3n(n2)CCCC3)n[nH]1 ZINC000655744906 411447042 /nfs/dbraw/zinc/44/70/42/411447042.db2.gz WZOFXWQWHZDKKN-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)o1 ZINC000657278297 411448759 /nfs/dbraw/zinc/44/87/59/411448759.db2.gz DIUWBFAESUBBPB-AOOOYVTPSA-N 1 2 239.275 0.008 20 0 BCADLO Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)o1 ZINC000657278297 411448760 /nfs/dbraw/zinc/44/87/60/411448760.db2.gz DIUWBFAESUBBPB-AOOOYVTPSA-N 1 2 239.275 0.008 20 0 BCADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000660386884 411449236 /nfs/dbraw/zinc/44/92/36/411449236.db2.gz FMXNPLHSUXDVGE-VIFPVBQESA-N 1 2 244.245 0.587 20 0 BCADLO FC1(F)C[C@@H]1OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000660386884 411449239 /nfs/dbraw/zinc/44/92/39/411449239.db2.gz FMXNPLHSUXDVGE-VIFPVBQESA-N 1 2 244.245 0.587 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632910 411452502 /nfs/dbraw/zinc/45/25/02/411452502.db2.gz HKCCQRDTMRLBHR-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632910 411452504 /nfs/dbraw/zinc/45/25/04/411452504.db2.gz HKCCQRDTMRLBHR-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)CC(=O)NC(C)C)C1=O ZINC000659831311 411468025 /nfs/dbraw/zinc/46/80/25/411468025.db2.gz QDMDZTHKRSTXCL-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(C)C)C1=O ZINC000659831311 411468026 /nfs/dbraw/zinc/46/80/26/411468026.db2.gz QDMDZTHKRSTXCL-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000654977553 411469270 /nfs/dbraw/zinc/46/92/70/411469270.db2.gz BUQFMKSJBRAWKK-KKZNHRDASA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000654977553 411469273 /nfs/dbraw/zinc/46/92/73/411469273.db2.gz BUQFMKSJBRAWKK-KKZNHRDASA-N 1 2 237.303 0.428 20 0 BCADLO CN1C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CC1=O ZINC000657342195 411469444 /nfs/dbraw/zinc/46/94/44/411469444.db2.gz UDBZPHHHCNXTES-VIFPVBQESA-N 1 2 249.318 0.323 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CC(F)(F)C2)C1 ZINC000654988463 411471573 /nfs/dbraw/zinc/47/15/73/411471573.db2.gz RHCAYWVOVJUNEK-UHFFFAOYSA-N 1 2 218.247 0.806 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CC(F)C2)C1 ZINC000654996190 411472816 /nfs/dbraw/zinc/47/28/16/411472816.db2.gz IHKYXMOMVRNFEH-UHFFFAOYSA-N 1 2 200.257 0.509 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)CO ZINC000655002645 411474048 /nfs/dbraw/zinc/47/40/48/411474048.db2.gz PNDQYNFMGVWGNG-SSDOTTSWSA-N 1 2 247.245 0.332 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)(F)CO ZINC000655002645 411474049 /nfs/dbraw/zinc/47/40/49/411474049.db2.gz PNDQYNFMGVWGNG-SSDOTTSWSA-N 1 2 247.245 0.332 20 0 BCADLO CC[C@@H](CCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657372488 411484663 /nfs/dbraw/zinc/48/46/63/411484663.db2.gz GAAIFYGCSZKDSJ-VIFPVBQESA-N 1 2 241.339 0.679 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C2CCC(=O)CC2)C1 ZINC000655052361 411486045 /nfs/dbraw/zinc/48/60/45/411486045.db2.gz YYLXZGYJMAJXLC-UHFFFAOYSA-N 1 2 238.331 0.955 20 0 BCADLO Cc1nc(C[N@@H+]2CCNC(=O)CC2)c(C)o1 ZINC000659878304 411488281 /nfs/dbraw/zinc/48/82/81/411488281.db2.gz NPGASLWKTUBRMO-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO Cc1nc(C[N@H+]2CCNC(=O)CC2)c(C)o1 ZINC000659878304 411488285 /nfs/dbraw/zinc/48/82/85/411488285.db2.gz NPGASLWKTUBRMO-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO CC(C)(CO)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000655070464 411488702 /nfs/dbraw/zinc/48/87/02/411488702.db2.gz DOFBGNPNOONRTP-VIFPVBQESA-N 1 2 237.303 0.333 20 0 BCADLO OCC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659881233 411489367 /nfs/dbraw/zinc/48/93/67/411489367.db2.gz GLWYBINYRHJSIU-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO OCC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659881233 411489369 /nfs/dbraw/zinc/48/93/69/411489369.db2.gz GLWYBINYRHJSIU-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO CCc1nnc2n1CCN(Cc1cn(C)c[nH+]1)C2 ZINC000659895140 411491888 /nfs/dbraw/zinc/49/18/88/411491888.db2.gz GPAZGCFJNLSLTJ-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCCN(C)C2=O)o1 ZINC000638724165 411492153 /nfs/dbraw/zinc/49/21/53/411492153.db2.gz JCURALIOZZEVQA-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cn1cncc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655085758 411493026 /nfs/dbraw/zinc/49/30/26/411493026.db2.gz AMXGCSMXZLYPAU-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO OCCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659905845 411493988 /nfs/dbraw/zinc/49/39/88/411493988.db2.gz RMOJJKVCBUAJKQ-UHFFFAOYSA-N 1 2 224.308 0.442 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C2(CO)CCC2)n1 ZINC000657400427 411496338 /nfs/dbraw/zinc/49/63/38/411496338.db2.gz MJOFRWOLZYJUAP-UHFFFAOYSA-N 1 2 239.323 0.433 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@]2(C)CCOC2)n1 ZINC000657417549 411500577 /nfs/dbraw/zinc/50/05/77/411500577.db2.gz PLOLKBZRLBIYJG-NSHDSACASA-N 1 2 239.323 0.697 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccnnc1C ZINC000655128044 411500870 /nfs/dbraw/zinc/50/08/70/411500870.db2.gz HBNSESJJUMHFFX-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H]1C ZINC000655137548 411502673 /nfs/dbraw/zinc/50/26/73/411502673.db2.gz PYTXUFNTJVMNNO-FXPVBKGRSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](O)[C@H]1C ZINC000655137548 411502675 /nfs/dbraw/zinc/50/26/75/411502675.db2.gz PYTXUFNTJVMNNO-FXPVBKGRSA-N 1 2 237.303 0.570 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659943176 411505981 /nfs/dbraw/zinc/50/59/81/411505981.db2.gz JCRIWMSGTUGOHU-NWDGAFQWSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659943176 411505983 /nfs/dbraw/zinc/50/59/83/411505983.db2.gz JCRIWMSGTUGOHU-NWDGAFQWSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)CO1 ZINC000657438671 411510021 /nfs/dbraw/zinc/51/00/21/411510021.db2.gz UGHGLHWGEDUSEX-SFYZADRCSA-N 1 2 209.236 0.771 20 0 BCADLO Cc1c[nH]c(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000657448916 411510313 /nfs/dbraw/zinc/51/03/13/411510313.db2.gz XQHATXAFKKGYHX-ZCFIWIBFSA-N 1 2 223.198 0.731 20 0 BCADLO COc1ccc(CCN2C(=O)C[C@@H]([NH3+])C2=O)cc1 ZINC000216552511 411513783 /nfs/dbraw/zinc/51/37/83/411513783.db2.gz SEPCVNVSKBCCNZ-LLVKDONJSA-N 1 2 248.282 0.324 20 0 BCADLO C[C@H](O)CCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657453165 411515344 /nfs/dbraw/zinc/51/53/44/411515344.db2.gz WMIDXNRJQDGKPJ-VIFPVBQESA-N 1 2 241.339 0.679 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC000659978507 411517014 /nfs/dbraw/zinc/51/70/14/411517014.db2.gz CWTZUJAQZMDBAV-PHIMTYICSA-N 1 2 224.260 0.089 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC000659978507 411517018 /nfs/dbraw/zinc/51/70/18/411517018.db2.gz CWTZUJAQZMDBAV-PHIMTYICSA-N 1 2 224.260 0.089 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2nc(C)cs2)C1 ZINC000655802511 411518542 /nfs/dbraw/zinc/51/85/42/411518542.db2.gz DPIOSXHODJZOKM-UHFFFAOYSA-N 1 2 225.317 0.772 20 0 BCADLO CN(C)c1n[nH]c(NCc2c[nH+]c3n2CCC3)n1 ZINC000657464021 411518675 /nfs/dbraw/zinc/51/86/75/411518675.db2.gz RZYUNBSGSIJXQW-UHFFFAOYSA-N 1 2 247.306 0.626 20 0 BCADLO CN(C)c1nc(NCc2c[nH+]c3n2CCC3)n[nH]1 ZINC000657464021 411518677 /nfs/dbraw/zinc/51/86/77/411518677.db2.gz RZYUNBSGSIJXQW-UHFFFAOYSA-N 1 2 247.306 0.626 20 0 BCADLO C[C@@H](CCCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655815044 411523741 /nfs/dbraw/zinc/52/37/41/411523741.db2.gz UAHCIBRJOALUJN-VIFPVBQESA-N 1 2 241.339 0.679 20 0 BCADLO C[C@H]1OCC[N@H+](CCc2c[nH]nn2)[C@@H]1C ZINC000660011562 411527739 /nfs/dbraw/zinc/52/77/39/411527739.db2.gz OZLLPNJFXDTOFF-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@@H+](CCc2c[nH]nn2)[C@@H]1C ZINC000660011562 411527740 /nfs/dbraw/zinc/52/77/40/411527740.db2.gz OZLLPNJFXDTOFF-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@H+](CCc2cn[nH]n2)[C@@H]1C ZINC000660011562 411527741 /nfs/dbraw/zinc/52/77/41/411527741.db2.gz OZLLPNJFXDTOFF-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@@H+](CCc2cn[nH]n2)[C@@H]1C ZINC000660011562 411527743 /nfs/dbraw/zinc/52/77/43/411527743.db2.gz OZLLPNJFXDTOFF-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2cn(C)cn2)no1 ZINC000660082735 411535232 /nfs/dbraw/zinc/53/52/32/411535232.db2.gz RRLXWBWMQKVAMP-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2cn(C)cn2)no1 ZINC000660082735 411535234 /nfs/dbraw/zinc/53/52/34/411535234.db2.gz RRLXWBWMQKVAMP-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC000657489830 411532411 /nfs/dbraw/zinc/53/24/11/411532411.db2.gz YGXKUCSZRSUVGN-WDEREUQCSA-N 1 2 248.330 0.961 20 0 BCADLO Cn1cc(C[NH2+]Cc2cc3n(n2)CCC3)cn1 ZINC000657326472 411466532 /nfs/dbraw/zinc/46/65/32/411466532.db2.gz UMDUKHFVRPSKCS-UHFFFAOYSA-N 1 2 231.303 0.853 20 0 BCADLO CCN1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000236911043 170027478 /nfs/dbraw/zinc/02/74/78/170027478.db2.gz KYNFLLJOZPMUMA-QMMMGPOBSA-N 1 2 248.286 0.471 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000309618519 170034753 /nfs/dbraw/zinc/03/47/53/170034753.db2.gz DMCHLIWJNJMZME-QWRGUYRKSA-N 1 2 227.352 0.442 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H](O)COC)[C@@H](C)C1 ZINC000309645108 170035384 /nfs/dbraw/zinc/03/53/84/170035384.db2.gz LZXIPAGUTOIFTJ-TUAOUCFPSA-N 1 2 230.352 0.314 20 0 BCADLO CCNC(=O)CC(=O)Nc1cc[nH+]cc1C ZINC000357446479 170045902 /nfs/dbraw/zinc/04/59/02/170045902.db2.gz XBONMFJOANZYSJ-UHFFFAOYSA-N 1 2 221.260 0.277 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000370753501 170049991 /nfs/dbraw/zinc/04/99/91/170049991.db2.gz JJPQIJSBGAMNMU-SECBINFHSA-N 1 2 238.291 0.733 20 0 BCADLO CCNC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000370753501 170049993 /nfs/dbraw/zinc/04/99/93/170049993.db2.gz JJPQIJSBGAMNMU-SECBINFHSA-N 1 2 238.291 0.733 20 0 BCADLO CCNC(=O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366683568 170050885 /nfs/dbraw/zinc/05/08/85/170050885.db2.gz VLISVSBFFMYMCJ-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CCNC(=O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366683568 170050887 /nfs/dbraw/zinc/05/08/87/170050887.db2.gz VLISVSBFFMYMCJ-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CCNC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345967 170051663 /nfs/dbraw/zinc/05/16/63/170051663.db2.gz MHGIEBHANMCIAI-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345967 170051662 /nfs/dbraw/zinc/05/16/62/170051662.db2.gz MHGIEBHANMCIAI-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccnc1NC ZINC000052727800 170055773 /nfs/dbraw/zinc/05/57/73/170055773.db2.gz AGNKNRNQZLPBDL-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccnc1NC ZINC000052727800 170055775 /nfs/dbraw/zinc/05/57/75/170055775.db2.gz AGNKNRNQZLPBDL-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000367980060 170058272 /nfs/dbraw/zinc/05/82/72/170058272.db2.gz DEWKJQUFGZHQST-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000367980060 170058273 /nfs/dbraw/zinc/05/82/73/170058273.db2.gz DEWKJQUFGZHQST-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285480149 170058510 /nfs/dbraw/zinc/05/85/10/170058510.db2.gz CSHVQRXEDZGXGM-UHFFFAOYSA-N 1 2 248.330 0.645 20 0 BCADLO CCNC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285480149 170058511 /nfs/dbraw/zinc/05/85/11/170058511.db2.gz CSHVQRXEDZGXGM-UHFFFAOYSA-N 1 2 248.330 0.645 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186373820 170059683 /nfs/dbraw/zinc/05/96/83/170059683.db2.gz LACDFWZYNAJUGP-NSHDSACASA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186373820 170059684 /nfs/dbraw/zinc/05/96/84/170059684.db2.gz LACDFWZYNAJUGP-NSHDSACASA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000128384500 170059804 /nfs/dbraw/zinc/05/98/04/170059804.db2.gz KINFUUXDPKFCEH-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000128384500 170059805 /nfs/dbraw/zinc/05/98/05/170059805.db2.gz KINFUUXDPKFCEH-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000657525105 411542760 /nfs/dbraw/zinc/54/27/60/411542760.db2.gz QBEHAYLCUBGLSZ-YFKPBYRVSA-N 1 2 231.708 0.775 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367138525 170060076 /nfs/dbraw/zinc/06/00/76/170060076.db2.gz QCZRROJZGQTHSP-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367138525 170060077 /nfs/dbraw/zinc/06/00/77/170060077.db2.gz QCZRROJZGQTHSP-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370031834 170060822 /nfs/dbraw/zinc/06/08/22/170060822.db2.gz HZSPJCKTXTZZTJ-KOLCDFICSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370031834 170060824 /nfs/dbraw/zinc/06/08/24/170060824.db2.gz HZSPJCKTXTZZTJ-KOLCDFICSA-N 1 2 226.320 0.622 20 0 BCADLO CCN1OC[C@@H](N(C)Cc2[nH+]ccn2C)C1=O ZINC000660135187 411543050 /nfs/dbraw/zinc/54/30/50/411543050.db2.gz CNBMSGUZMYLNTN-SECBINFHSA-N 1 2 238.291 0.014 20 0 BCADLO CCNC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000265985446 170066199 /nfs/dbraw/zinc/06/61/99/170066199.db2.gz OXNIKEDMXPQFAW-VIFPVBQESA-N 1 2 247.302 0.516 20 0 BCADLO CCNC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000279016506 170069210 /nfs/dbraw/zinc/06/92/10/170069210.db2.gz BGJNZIYZGJSQFN-UHFFFAOYSA-N 1 2 240.332 0.849 20 0 BCADLO CCNC(=O)NCc1c[nH+]ccc1OC ZINC000292239123 170081234 /nfs/dbraw/zinc/08/12/34/170081234.db2.gz BYMNHPBQQRWASR-UHFFFAOYSA-N 1 2 209.249 0.909 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000042225855 170088380 /nfs/dbraw/zinc/08/83/80/170088380.db2.gz IDKNXWMDRAMIFY-SSDOTTSWSA-N 1 2 244.726 0.688 20 0 BCADLO C[N@H+](CC(=O)Nc1cnccn1)Cc1cn[nH]c1 ZINC000660090731 411536519 /nfs/dbraw/zinc/53/65/19/411536519.db2.gz DHVDKOJIXQVNCO-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO C[N@@H+](CC(=O)Nc1cnccn1)Cc1cn[nH]c1 ZINC000660090731 411536521 /nfs/dbraw/zinc/53/65/21/411536521.db2.gz DHVDKOJIXQVNCO-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nnc(C)o1)C(C)C ZINC000339319698 170091803 /nfs/dbraw/zinc/09/18/03/170091803.db2.gz VRXYFTJBANCDFZ-JTQLQIEISA-N 1 2 240.307 0.628 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cscn1 ZINC000040421091 170095412 /nfs/dbraw/zinc/09/54/12/170095412.db2.gz GHXNVCRZKXMETI-ZETCQYMHSA-N 1 2 213.306 0.757 20 0 BCADLO CCNS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000295994408 170135738 /nfs/dbraw/zinc/13/57/38/170135738.db2.gz LTILWCWNIVOMTD-MRVPVSSYSA-N 1 2 246.336 0.551 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000660141725 411544615 /nfs/dbraw/zinc/54/46/15/411544615.db2.gz IHQOQGWKOWELPC-VIFPVBQESA-N 1 2 213.281 0.503 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000660141725 411544617 /nfs/dbraw/zinc/54/46/17/411544617.db2.gz IHQOQGWKOWELPC-VIFPVBQESA-N 1 2 213.281 0.503 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000660141724 411544670 /nfs/dbraw/zinc/54/46/70/411544670.db2.gz IHQOQGWKOWELPC-SECBINFHSA-N 1 2 213.281 0.503 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000660141724 411544673 /nfs/dbraw/zinc/54/46/73/411544673.db2.gz IHQOQGWKOWELPC-SECBINFHSA-N 1 2 213.281 0.503 20 0 BCADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCOC1 ZINC000657541873 411547465 /nfs/dbraw/zinc/54/74/65/411547465.db2.gz GSJSSTFNQFCCCJ-ONGXEEELSA-N 1 2 225.292 0.551 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000660156408 411548031 /nfs/dbraw/zinc/54/80/31/411548031.db2.gz OSOWLPFEJISXRH-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000660156408 411548033 /nfs/dbraw/zinc/54/80/33/411548033.db2.gz OSOWLPFEJISXRH-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000660154319 411548084 /nfs/dbraw/zinc/54/80/84/411548084.db2.gz KCQOSMAYNKYPAQ-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CCOC(=O)C(C)(C)NCc1c[nH+]cn1C ZINC000267632942 170187166 /nfs/dbraw/zinc/18/71/66/170187166.db2.gz SSVMZZRCICORPQ-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)OC ZINC000336758415 170187743 /nfs/dbraw/zinc/18/77/43/170187743.db2.gz JUYGTXRVIJGBHC-UHFFFAOYSA-N 1 2 217.265 0.481 20 0 BCADLO CCOC(=O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299662603 170196757 /nfs/dbraw/zinc/19/67/57/170196757.db2.gz NFWKKUOMSZWTBY-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337430598 170201196 /nfs/dbraw/zinc/20/11/96/170201196.db2.gz YTDVIRGCMHESPJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337430598 170201197 /nfs/dbraw/zinc/20/11/97/170201197.db2.gz YTDVIRGCMHESPJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[NH2+]C(C)(C)C(=O)OC ZINC000108856481 170202879 /nfs/dbraw/zinc/20/28/79/170202879.db2.gz SUFPXHCQVQUHFP-UHFFFAOYSA-N 1 2 231.292 0.871 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)CS1(=O)=O ZINC000657639465 411566415 /nfs/dbraw/zinc/56/64/15/411566415.db2.gz SNGGTCAWRDUFMS-SCZZXKLOSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@@H]1CCOC1 ZINC000342118618 170217653 /nfs/dbraw/zinc/21/76/53/170217653.db2.gz BQZPBSZKNMMDGX-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000342118618 170217654 /nfs/dbraw/zinc/21/76/54/170217654.db2.gz BQZPBSZKNMMDGX-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000342118912 170218204 /nfs/dbraw/zinc/21/82/04/170218204.db2.gz CXSIHQRRDCCCIF-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000342118912 170218205 /nfs/dbraw/zinc/21/82/05/170218205.db2.gz CXSIHQRRDCCCIF-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000044564214 170219334 /nfs/dbraw/zinc/21/93/34/170219334.db2.gz UJWFDAYVPBDDJL-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC000047772719 170219524 /nfs/dbraw/zinc/21/95/24/170219524.db2.gz VQGUQVUYDSVGLJ-UHFFFAOYSA-N 1 2 242.319 0.398 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635437 170220622 /nfs/dbraw/zinc/22/06/22/170220622.db2.gz GWSOQQWJHWYIRE-JTQLQIEISA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635437 170220623 /nfs/dbraw/zinc/22/06/23/170220623.db2.gz GWSOQQWJHWYIRE-JTQLQIEISA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)CN1CCn2c[nH+]cc2C1 ZINC000367942775 170221207 /nfs/dbraw/zinc/22/12/07/170221207.db2.gz MKHRKDFZXIYALE-UHFFFAOYSA-N 1 2 209.249 0.262 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340993132 170221601 /nfs/dbraw/zinc/22/16/01/170221601.db2.gz HSIKEMUHMOIAQL-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340993132 170221602 /nfs/dbraw/zinc/22/16/02/170221602.db2.gz HSIKEMUHMOIAQL-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000342172162 170222554 /nfs/dbraw/zinc/22/25/54/170222554.db2.gz RXRIWKWTSWSFLA-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000342172162 170222555 /nfs/dbraw/zinc/22/25/55/170222555.db2.gz RXRIWKWTSWSFLA-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000223244373 170225413 /nfs/dbraw/zinc/22/54/13/170225413.db2.gz FWLOVMDEYUSFEO-UHFFFAOYSA-N 1 2 203.282 0.689 20 0 BCADLO CCOC(=O)CN[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000365614413 170226424 /nfs/dbraw/zinc/22/64/24/170226424.db2.gz SWHKILXUHJLMPD-MRVPVSSYSA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)CN[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000365614413 170226426 /nfs/dbraw/zinc/22/64/26/170226426.db2.gz SWHKILXUHJLMPD-MRVPVSSYSA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300885766 170226490 /nfs/dbraw/zinc/22/64/90/170226490.db2.gz SSRHARKNYQUFSO-DTWKUNHWSA-N 1 2 201.266 0.564 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462915 170227133 /nfs/dbraw/zinc/22/71/33/170227133.db2.gz IPVQOGMSORVUSI-CABZTGNLSA-N 1 2 240.303 0.196 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000309489736 170227324 /nfs/dbraw/zinc/22/73/24/170227324.db2.gz WSRMYXBIQLMBJF-UWVGGRQHSA-N 1 2 231.292 0.333 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462916 170227417 /nfs/dbraw/zinc/22/74/17/170227417.db2.gz IPVQOGMSORVUSI-JOYOIKCWSA-N 1 2 240.303 0.196 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660232842 411556747 /nfs/dbraw/zinc/55/67/47/411556747.db2.gz NMQSURDHMHGDEK-DTWKUNHWSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660232842 411556749 /nfs/dbraw/zinc/55/67/49/411556749.db2.gz NMQSURDHMHGDEK-DTWKUNHWSA-N 1 2 210.281 0.050 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CCOC2)c(C)o1 ZINC000660237265 411557383 /nfs/dbraw/zinc/55/73/83/411557383.db2.gz CCFQJMPNQSDEPR-LBPRGKRZSA-N 1 2 240.303 0.875 20 0 BCADLO Cc1nc(C[N@H+](C)[C@]2(CO)CCOC2)c(C)o1 ZINC000660237265 411557386 /nfs/dbraw/zinc/55/73/86/411557386.db2.gz CCFQJMPNQSDEPR-LBPRGKRZSA-N 1 2 240.303 0.875 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1cn(C)c[nH+]1 ZINC000660238280 411557416 /nfs/dbraw/zinc/55/74/16/411557416.db2.gz JBMFEPRBINJCTD-UHFFFAOYSA-N 1 2 234.307 0.571 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000111279569 170247074 /nfs/dbraw/zinc/24/70/74/170247074.db2.gz GHGJIXALSWHHSX-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC000111279569 170247078 /nfs/dbraw/zinc/24/70/78/170247078.db2.gz GHGJIXALSWHHSX-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCOCC3(CC3)C2)C1=O ZINC000660243564 411558275 /nfs/dbraw/zinc/55/82/75/411558275.db2.gz ITWUEBSZLJHQQR-SNVBAGLBSA-N 1 2 240.303 0.261 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCOCC3(CC3)C2)C1=O ZINC000660243564 411558276 /nfs/dbraw/zinc/55/82/76/411558276.db2.gz ITWUEBSZLJHQQR-SNVBAGLBSA-N 1 2 240.303 0.261 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666195 170249685 /nfs/dbraw/zinc/24/96/85/170249685.db2.gz GYRYPOZLOHDEBB-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666195 170249687 /nfs/dbraw/zinc/24/96/87/170249687.db2.gz GYRYPOZLOHDEBB-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2cccnc2)C1=O ZINC000660240773 411558535 /nfs/dbraw/zinc/55/85/35/411558535.db2.gz CXWJYCVXEQOCSQ-ONGXEEELSA-N 1 2 235.287 0.895 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191706326 170268783 /nfs/dbraw/zinc/26/87/83/170268783.db2.gz DTPGWDMIWYVNFE-CIUDSAMLSA-N 1 2 203.282 0.951 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000657610323 411562408 /nfs/dbraw/zinc/56/24/08/411562408.db2.gz ZGRBRONQTBDMGD-HRDYMLBCSA-N 1 2 240.307 0.607 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)[nH]1 ZINC000657610323 411562410 /nfs/dbraw/zinc/56/24/10/411562410.db2.gz ZGRBRONQTBDMGD-HRDYMLBCSA-N 1 2 240.307 0.607 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](C)COC(C)C)n1 ZINC000657609677 411562540 /nfs/dbraw/zinc/56/25/40/411562540.db2.gz RSKQVKRPNPMCEB-SECBINFHSA-N 1 2 242.323 0.854 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)COC(C)C)[nH]1 ZINC000657609677 411562542 /nfs/dbraw/zinc/56/25/42/411562542.db2.gz RSKQVKRPNPMCEB-SECBINFHSA-N 1 2 242.323 0.854 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]Cc2nc(COC)n[nH]2)CO1 ZINC000657608953 411562585 /nfs/dbraw/zinc/56/25/85/411562585.db2.gz GLDVWVDBFCASRQ-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]Cc2nnc(COC)[nH]2)CO1 ZINC000657608953 411562587 /nfs/dbraw/zinc/56/25/87/411562587.db2.gz GLDVWVDBFCASRQ-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+]C[C@@H]2CCSC2)[nH]1 ZINC000657609686 411562712 /nfs/dbraw/zinc/56/27/12/411562712.db2.gz RWGZOBDDYVQQLE-QMMMGPOBSA-N 1 2 242.348 0.794 20 0 BCADLO CCN1CC[N@H+](Cc2cccc(N)c2)CC1=O ZINC000660273715 411563418 /nfs/dbraw/zinc/56/34/18/411563418.db2.gz FUSPSDRUFOLFKC-UHFFFAOYSA-N 1 2 233.315 0.933 20 0 BCADLO CCN1CC[N@@H+](Cc2cccc(N)c2)CC1=O ZINC000660273715 411563420 /nfs/dbraw/zinc/56/34/20/411563420.db2.gz FUSPSDRUFOLFKC-UHFFFAOYSA-N 1 2 233.315 0.933 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C1=O ZINC000660274041 411563474 /nfs/dbraw/zinc/56/34/74/411563474.db2.gz MDPDUSFUKBGJEP-IONNQARKSA-N 1 2 224.264 0.223 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000660278368 411565145 /nfs/dbraw/zinc/56/51/45/411565145.db2.gz WUOQOYQKZAPCAJ-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCOCC2(CCC2)C1 ZINC000660278368 411565147 /nfs/dbraw/zinc/56/51/47/411565147.db2.gz WUOQOYQKZAPCAJ-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO C[C@H](O)C[C@@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660287599 411565652 /nfs/dbraw/zinc/56/56/52/411565652.db2.gz DEKRSYMWZRUEJP-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO CCOC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000294895747 170332418 /nfs/dbraw/zinc/33/24/18/170332418.db2.gz PRCPSLZYWQBPGP-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO c1nc2c(s1)C[N@@H+](CCc1c[nH]nn1)CC2 ZINC000660374927 411574887 /nfs/dbraw/zinc/57/48/87/411574887.db2.gz LCAJRQIMISVJPQ-UHFFFAOYSA-N 1 2 235.316 0.862 20 0 BCADLO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ncn(C)n1 ZINC000660375050 411574908 /nfs/dbraw/zinc/57/49/08/411574908.db2.gz YWUXBYPRZAUVOP-JGVFFNPUSA-N 1 2 246.261 0.890 20 0 BCADLO CCOCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290924454 170342388 /nfs/dbraw/zinc/34/23/88/170342388.db2.gz LFFAOOVHAJQFSA-UHFFFAOYSA-N 1 2 209.249 0.262 20 0 BCADLO CCOCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000058077659 170343947 /nfs/dbraw/zinc/34/39/47/170343947.db2.gz IGHZXPDJCQQSQZ-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330622129 170345478 /nfs/dbraw/zinc/34/54/78/170345478.db2.gz NKEXMWIIEXIILT-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330622130 170345993 /nfs/dbraw/zinc/34/59/93/170345993.db2.gz NKEXMWIIEXIILT-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279246206 170377001 /nfs/dbraw/zinc/37/70/01/170377001.db2.gz SKRFLPUMEDOMRM-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO CCOCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000336780128 170382315 /nfs/dbraw/zinc/38/23/15/170382315.db2.gz QNSZLVXHIAQINQ-NSHDSACASA-N 1 2 231.292 0.335 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660331822 411569961 /nfs/dbraw/zinc/56/99/61/411569961.db2.gz XYSHRKILUFYJSI-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660331822 411569962 /nfs/dbraw/zinc/56/99/62/411569962.db2.gz XYSHRKILUFYJSI-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660331619 411570111 /nfs/dbraw/zinc/57/01/11/411570111.db2.gz VGWPYANMNHCOES-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660331619 411570112 /nfs/dbraw/zinc/57/01/12/411570112.db2.gz VGWPYANMNHCOES-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1nncs1 ZINC000093311652 170389000 /nfs/dbraw/zinc/38/90/00/170389000.db2.gz DBLGSDMOTKIGGP-UHFFFAOYSA-N 1 2 244.320 0.445 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1nncs1 ZINC000093311652 170389001 /nfs/dbraw/zinc/38/90/01/170389001.db2.gz DBLGSDMOTKIGGP-UHFFFAOYSA-N 1 2 244.320 0.445 20 0 BCADLO CCOCC[N@H+](CC)Cc1nnnn1C ZINC000341220286 170396406 /nfs/dbraw/zinc/39/64/06/170396406.db2.gz QBVPGZGSECVFLS-UHFFFAOYSA-N 1 2 213.285 0.069 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nnnn1C ZINC000341220286 170396407 /nfs/dbraw/zinc/39/64/07/170396407.db2.gz QBVPGZGSECVFLS-UHFFFAOYSA-N 1 2 213.285 0.069 20 0 BCADLO CCOCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484814 170399990 /nfs/dbraw/zinc/39/99/90/170399990.db2.gz MPKDDVIPLXAPDE-VIFPVBQESA-N 1 2 240.307 0.726 20 0 BCADLO CCOCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484814 170399992 /nfs/dbraw/zinc/39/99/92/170399992.db2.gz MPKDDVIPLXAPDE-VIFPVBQESA-N 1 2 240.307 0.726 20 0 BCADLO Cc1c(NCCCO)nc[nH+]c1NCCCO ZINC000663318241 411624017 /nfs/dbraw/zinc/62/40/17/411624017.db2.gz UBVLLEGGOXQABN-UHFFFAOYSA-N 1 2 240.307 0.374 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000665591379 411624859 /nfs/dbraw/zinc/62/48/59/411624859.db2.gz HVIHZXCSGUHFFI-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000665591379 411624861 /nfs/dbraw/zinc/62/48/61/411624861.db2.gz HVIHZXCSGUHFFI-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@H](C2CC2)C1=O ZINC000663328107 411626732 /nfs/dbraw/zinc/62/67/32/411626732.db2.gz OVZCBSCLJOPPLM-IONNQARKSA-N 1 2 248.286 0.812 20 0 BCADLO Cn1nnc2c1ncnc2NCCn1cc[nH+]c1 ZINC000663330737 411626985 /nfs/dbraw/zinc/62/69/85/411626985.db2.gz ATDPGCNDCQJTLO-UHFFFAOYSA-N 1 2 244.262 0.067 20 0 BCADLO Cc1nc(C[NH2+]C2(C(=O)N(C)C)CC2)co1 ZINC000660801736 411637727 /nfs/dbraw/zinc/63/77/27/411637727.db2.gz UAXWLIOTQLLSMW-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CCNC(=O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000346090319 411637736 /nfs/dbraw/zinc/63/77/36/411637736.db2.gz ZTLLAJAIDDJNJT-UHFFFAOYSA-N 1 2 233.275 0.814 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000660806272 411639054 /nfs/dbraw/zinc/63/90/54/411639054.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000660806272 411639060 /nfs/dbraw/zinc/63/90/60/411639060.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000660806272 411639064 /nfs/dbraw/zinc/63/90/64/411639064.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000660806272 411639068 /nfs/dbraw/zinc/63/90/68/411639068.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000660806272 411639073 /nfs/dbraw/zinc/63/90/73/411639073.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000660806272 411639079 /nfs/dbraw/zinc/63/90/79/411639079.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 1 2 232.291 0.826 20 0 BCADLO CCN1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000450759548 411639849 /nfs/dbraw/zinc/63/98/49/411639849.db2.gz KKUDKCQDWOIQPZ-SNVBAGLBSA-N 1 2 246.314 1.387 20 0 BCADLO OC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCOC1 ZINC000660804523 411641134 /nfs/dbraw/zinc/64/11/34/411641134.db2.gz JEYGYJBYWDRYII-KOLCDFICSA-N 1 2 225.292 0.287 20 0 BCADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660810894 411641906 /nfs/dbraw/zinc/64/19/06/411641906.db2.gz GEFUUJPFOKKHIV-VHSXEESVSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@H]1[C@@H](CO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660810894 411641909 /nfs/dbraw/zinc/64/19/09/411641909.db2.gz GEFUUJPFOKKHIV-VHSXEESVSA-N 1 2 224.308 0.440 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000660393220 411578211 /nfs/dbraw/zinc/57/82/11/411578211.db2.gz MUAOIHMZRTYCMC-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000660393220 411578212 /nfs/dbraw/zinc/57/82/12/411578212.db2.gz MUAOIHMZRTYCMC-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660445308 411585056 /nfs/dbraw/zinc/58/50/56/411585056.db2.gz XEXQPVLCEUDYKE-VIFPVBQESA-N 1 2 210.281 0.050 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660445308 411585058 /nfs/dbraw/zinc/58/50/58/411585058.db2.gz XEXQPVLCEUDYKE-VIFPVBQESA-N 1 2 210.281 0.050 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660443353 411585519 /nfs/dbraw/zinc/58/55/19/411585519.db2.gz HOAIEKSTJXESBH-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660443353 411585520 /nfs/dbraw/zinc/58/55/20/411585520.db2.gz HOAIEKSTJXESBH-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660445307 411586129 /nfs/dbraw/zinc/58/61/29/411586129.db2.gz XEXQPVLCEUDYKE-SECBINFHSA-N 1 2 210.281 0.050 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660445307 411586131 /nfs/dbraw/zinc/58/61/31/411586131.db2.gz XEXQPVLCEUDYKE-SECBINFHSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1cnccn1 ZINC000660447763 411586480 /nfs/dbraw/zinc/58/64/80/411586480.db2.gz PXRCNBQNEYYXAM-IUCAKERBSA-N 1 2 220.276 0.898 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1cnccn1 ZINC000660447762 411586619 /nfs/dbraw/zinc/58/66/19/411586619.db2.gz PXRCNBQNEYYXAM-DTORHVGOSA-N 1 2 220.276 0.898 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660447762 411586621 /nfs/dbraw/zinc/58/66/21/411586621.db2.gz PXRCNBQNEYYXAM-DTORHVGOSA-N 1 2 220.276 0.898 20 0 BCADLO O=c1[nH]nc(C2CC[NH+](Cc3cn[nH]c3)CC2)[nH]1 ZINC000660450729 411586781 /nfs/dbraw/zinc/58/67/81/411586781.db2.gz VGVZSRGINBIHLT-UHFFFAOYSA-N 1 2 248.290 0.613 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(C)o1 ZINC000660475572 411590448 /nfs/dbraw/zinc/59/04/48/411590448.db2.gz BRGZROFHHLQVPZ-RDDDGLTNSA-N 1 2 237.303 0.906 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)nc(C)n1 ZINC000660484850 411592633 /nfs/dbraw/zinc/59/26/33/411592633.db2.gz CQTPTRAFPWSIRM-BETUJISGSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)nc(C)n1 ZINC000660484850 411592634 /nfs/dbraw/zinc/59/26/34/411592634.db2.gz CQTPTRAFPWSIRM-BETUJISGSA-N 1 2 249.314 0.693 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000660493980 411593495 /nfs/dbraw/zinc/59/34/95/411593495.db2.gz OCCHQHDOGLDVKC-NWDGAFQWSA-N 1 2 236.319 0.991 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000660493980 411593496 /nfs/dbraw/zinc/59/34/96/411593496.db2.gz OCCHQHDOGLDVKC-NWDGAFQWSA-N 1 2 236.319 0.991 20 0 BCADLO COCC[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660527437 411595889 /nfs/dbraw/zinc/59/58/89/411595889.db2.gz JYTIHUQHQQYLQH-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO COCC[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660527437 411595891 /nfs/dbraw/zinc/59/58/91/411595891.db2.gz JYTIHUQHQQYLQH-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO COC[C@@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660569603 411601932 /nfs/dbraw/zinc/60/19/32/411601932.db2.gz AFTBYFQQVCZKHF-VIFPVBQESA-N 1 2 240.307 0.834 20 0 BCADLO COC[C@@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660569603 411601934 /nfs/dbraw/zinc/60/19/34/411601934.db2.gz AFTBYFQQVCZKHF-VIFPVBQESA-N 1 2 240.307 0.834 20 0 BCADLO c1ncn2c1C[N@H+]([C@@H]1CCCOC1)CC2 ZINC000660582068 411602715 /nfs/dbraw/zinc/60/27/15/411602715.db2.gz KEMGCRYWPRYVPP-SNVBAGLBSA-N 1 2 207.277 0.878 20 0 BCADLO c1ncn2c1C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC000660582068 411602716 /nfs/dbraw/zinc/60/27/16/411602716.db2.gz KEMGCRYWPRYVPP-SNVBAGLBSA-N 1 2 207.277 0.878 20 0 BCADLO c1[nH+]cn2c1CN([C@@H]1CCCOC1)CC2 ZINC000660582068 411602717 /nfs/dbraw/zinc/60/27/17/411602717.db2.gz KEMGCRYWPRYVPP-SNVBAGLBSA-N 1 2 207.277 0.878 20 0 BCADLO O[C@@H](CN1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000660582523 411603334 /nfs/dbraw/zinc/60/33/34/411603334.db2.gz VGKYCSTWNLCRLJ-QMMMGPOBSA-N 1 2 235.209 0.622 20 0 BCADLO OCc1nnn2c1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000660589096 411604550 /nfs/dbraw/zinc/60/45/50/411604550.db2.gz FGFFWXLSMOVRHE-JGPRNRPPSA-N 1 2 248.330 0.632 20 0 BCADLO OCc1nnn2c1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000660589096 411604551 /nfs/dbraw/zinc/60/45/51/411604551.db2.gz FGFFWXLSMOVRHE-JGPRNRPPSA-N 1 2 248.330 0.632 20 0 BCADLO CC(C)[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000660589733 411604580 /nfs/dbraw/zinc/60/45/80/411604580.db2.gz KJJLKPZLTRFKLE-SECBINFHSA-N 1 2 224.308 0.631 20 0 BCADLO CC(C)[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000660589733 411604581 /nfs/dbraw/zinc/60/45/81/411604581.db2.gz KJJLKPZLTRFKLE-SECBINFHSA-N 1 2 224.308 0.631 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H](C)[C@H]1C ZINC000660639731 411610823 /nfs/dbraw/zinc/61/08/23/411610823.db2.gz JZEGTFFAJNPUFH-QCLAVDOMSA-N 1 2 233.333 0.139 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H](C)[C@H]1C ZINC000660639731 411610824 /nfs/dbraw/zinc/61/08/24/411610824.db2.gz JZEGTFFAJNPUFH-QCLAVDOMSA-N 1 2 233.333 0.139 20 0 BCADLO c1[nH]nnc1CC[N@H+](C1CC1)C1COC1 ZINC000660646870 411611839 /nfs/dbraw/zinc/61/18/39/411611839.db2.gz GDBSGYFMYYWGAK-UHFFFAOYSA-N 1 2 208.265 0.210 20 0 BCADLO c1[nH]nnc1CC[N@@H+](C1CC1)C1COC1 ZINC000660646870 411611841 /nfs/dbraw/zinc/61/18/41/411611841.db2.gz GDBSGYFMYYWGAK-UHFFFAOYSA-N 1 2 208.265 0.210 20 0 BCADLO c1n[nH]nc1CC[N@H+](C1CC1)C1COC1 ZINC000660646870 411611843 /nfs/dbraw/zinc/61/18/43/411611843.db2.gz GDBSGYFMYYWGAK-UHFFFAOYSA-N 1 2 208.265 0.210 20 0 BCADLO c1n[nH]nc1CC[N@@H+](C1CC1)C1COC1 ZINC000660646870 411611844 /nfs/dbraw/zinc/61/18/44/411611844.db2.gz GDBSGYFMYYWGAK-UHFFFAOYSA-N 1 2 208.265 0.210 20 0 BCADLO Cc1nocc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000660647919 411612795 /nfs/dbraw/zinc/61/27/95/411612795.db2.gz OZUWILNDQUHHLZ-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1nocc1C[N@H+](C)C(C)(C)C(N)=O ZINC000660647919 411612796 /nfs/dbraw/zinc/61/27/96/411612796.db2.gz OZUWILNDQUHHLZ-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC000660728346 411619396 /nfs/dbraw/zinc/61/93/96/411619396.db2.gz QEZNCWXJSFSPTH-VIFPVBQESA-N 1 2 233.333 0.142 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000660727046 411619485 /nfs/dbraw/zinc/61/94/85/411619485.db2.gz FQGMDZFZUZBLHD-SNVBAGLBSA-N 1 2 249.376 0.512 20 0 BCADLO Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000340919510 411649949 /nfs/dbraw/zinc/64/99/49/411649949.db2.gz SCNBKNUTSNVYPD-JTQLQIEISA-N 1 2 249.318 0.988 20 0 BCADLO O[C@@H]1CC[N@H+](CCc2cnn[nH]2)C2(CCC2)C1 ZINC000660836069 411650041 /nfs/dbraw/zinc/65/00/41/411650041.db2.gz QCRWVAXMXVFCJK-LLVKDONJSA-N 1 2 236.319 0.727 20 0 BCADLO O[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C2(CCC2)C1 ZINC000660836069 411650044 /nfs/dbraw/zinc/65/00/44/411650044.db2.gz QCRWVAXMXVFCJK-LLVKDONJSA-N 1 2 236.319 0.727 20 0 BCADLO Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000425264200 411650253 /nfs/dbraw/zinc/65/02/53/411650253.db2.gz FBHFMWWSKRQQNN-SNVBAGLBSA-N 1 2 234.303 1.065 20 0 BCADLO Cc1cc(NC[C@@H]2CNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000398420673 411650911 /nfs/dbraw/zinc/65/09/11/411650911.db2.gz VAIHYACBLNDAQJ-SNVBAGLBSA-N 1 2 248.330 1.456 20 0 BCADLO C[C@H](O)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841605 411652672 /nfs/dbraw/zinc/65/26/72/411652672.db2.gz GGYMLOVHMZKITO-ZETCQYMHSA-N 1 2 215.253 0.368 20 0 BCADLO C[C@H](O)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841605 411652675 /nfs/dbraw/zinc/65/26/75/411652675.db2.gz GGYMLOVHMZKITO-ZETCQYMHSA-N 1 2 215.253 0.368 20 0 BCADLO C[C@@H](O)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841602 411653123 /nfs/dbraw/zinc/65/31/23/411653123.db2.gz GGYMLOVHMZKITO-SSDOTTSWSA-N 1 2 215.253 0.368 20 0 BCADLO C[C@@H](O)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841602 411653128 /nfs/dbraw/zinc/65/31/28/411653128.db2.gz GGYMLOVHMZKITO-SSDOTTSWSA-N 1 2 215.253 0.368 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)Cc1n[nH]c(=O)o1 ZINC000660841424 411654309 /nfs/dbraw/zinc/65/43/09/411654309.db2.gz DSHJQXQMHZEMQA-UHFFFAOYSA-N 1 2 223.236 0.141 20 0 BCADLO FC(F)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139332 411716920 /nfs/dbraw/zinc/71/69/20/411716920.db2.gz HMVXRGNHXJKYMA-QMMMGPOBSA-N 1 2 216.235 0.865 20 0 BCADLO FC(F)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139332 411716921 /nfs/dbraw/zinc/71/69/21/411716921.db2.gz HMVXRGNHXJKYMA-QMMMGPOBSA-N 1 2 216.235 0.865 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccc(N)c1 ZINC000660841690 411654938 /nfs/dbraw/zinc/65/49/38/411654938.db2.gz ICKMNUTZHBTHPW-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccc(N)c1 ZINC000660841690 411654941 /nfs/dbraw/zinc/65/49/41/411654941.db2.gz ICKMNUTZHBTHPW-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO Cc1cc(NCc2nc(N(C)C)n[nH]2)nc[nH+]1 ZINC000641679844 411655067 /nfs/dbraw/zinc/65/50/67/411655067.db2.gz GBGSAVIZUYTBAE-UHFFFAOYSA-N 1 2 233.279 0.581 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCCO1 ZINC000660849082 411657358 /nfs/dbraw/zinc/65/73/58/411657358.db2.gz OAXDAWMZCKMBLL-MRVPVSSYSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCCO1 ZINC000660849082 411657362 /nfs/dbraw/zinc/65/73/62/411657362.db2.gz OAXDAWMZCKMBLL-MRVPVSSYSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCOC1 ZINC000660848520 411657621 /nfs/dbraw/zinc/65/76/21/411657621.db2.gz ODIMPCVHBMZTLK-MRVPVSSYSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCOC1 ZINC000660848520 411657626 /nfs/dbraw/zinc/65/76/26/411657626.db2.gz ODIMPCVHBMZTLK-MRVPVSSYSA-N 1 2 227.264 0.634 20 0 BCADLO Cn1[nH]cnc1=NC1CC[NH+](CC(F)F)CC1 ZINC000663480435 411669875 /nfs/dbraw/zinc/66/98/75/411669875.db2.gz PSHYWPDPRUGRMT-UHFFFAOYSA-N 1 2 245.277 0.378 20 0 BCADLO O=C1CCc2nc(NCCn3cc[nH+]c3)ccc21 ZINC000582143534 411673849 /nfs/dbraw/zinc/67/38/49/411673849.db2.gz XEVMFJMEEZYBGB-UHFFFAOYSA-N 1 2 242.282 1.519 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1=O ZINC000660921982 411673948 /nfs/dbraw/zinc/67/39/48/411673948.db2.gz GCFVYBHLCVRFBO-WPRPVWTQSA-N 1 2 246.257 0.880 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@]3(CC3(F)F)C2)C1=O ZINC000660921982 411673950 /nfs/dbraw/zinc/67/39/50/411673950.db2.gz GCFVYBHLCVRFBO-WPRPVWTQSA-N 1 2 246.257 0.880 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC(C)(F)F ZINC000379303605 411680359 /nfs/dbraw/zinc/68/03/59/411680359.db2.gz RCGQLZZRWZDSIJ-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC(C)(F)F ZINC000379303605 411680361 /nfs/dbraw/zinc/68/03/61/411680361.db2.gz RCGQLZZRWZDSIJ-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCOC(C)C ZINC000383364323 411681919 /nfs/dbraw/zinc/68/19/19/411681919.db2.gz AVLREKCQCLITAH-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCOC(C)C ZINC000383364323 411681922 /nfs/dbraw/zinc/68/19/22/411681922.db2.gz AVLREKCQCLITAH-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ccc(C)cn1 ZINC000400933811 411683316 /nfs/dbraw/zinc/68/33/16/411683316.db2.gz MOOYAZLOMYIZSM-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ccc(C)cn1 ZINC000400933811 411683320 /nfs/dbraw/zinc/68/33/20/411683320.db2.gz MOOYAZLOMYIZSM-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@H](C)O1 ZINC000397934769 411683524 /nfs/dbraw/zinc/68/35/24/411683524.db2.gz WPEZUNIKJYLDGT-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@H](C)O1 ZINC000397934769 411683526 /nfs/dbraw/zinc/68/35/26/411683526.db2.gz WPEZUNIKJYLDGT-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BCADLO OC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000447803018 411689262 /nfs/dbraw/zinc/68/92/62/411689262.db2.gz PMSQMURDGQBYMM-WDEREUQCSA-N 1 2 249.314 1.306 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661055716 411695038 /nfs/dbraw/zinc/69/50/38/411695038.db2.gz PMTNSEAEXWXCGB-DTWKUNHWSA-N 1 2 240.307 0.975 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661055716 411695040 /nfs/dbraw/zinc/69/50/40/411695040.db2.gz PMTNSEAEXWXCGB-DTWKUNHWSA-N 1 2 240.307 0.975 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1cc(=O)c(O)co1 ZINC000661086082 411697017 /nfs/dbraw/zinc/69/70/17/411697017.db2.gz UKWVAQGIASCKJP-UHFFFAOYSA-N 1 2 235.243 0.701 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1cc(=O)c(O)co1 ZINC000661086082 411697021 /nfs/dbraw/zinc/69/70/21/411697021.db2.gz UKWVAQGIASCKJP-UHFFFAOYSA-N 1 2 235.243 0.701 20 0 BCADLO CCCCNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661084967 411697357 /nfs/dbraw/zinc/69/73/57/411697357.db2.gz VYHKIRDZAXVRKR-UHFFFAOYSA-N 1 2 224.308 0.758 20 0 BCADLO CCCCNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661084967 411697361 /nfs/dbraw/zinc/69/73/61/411697361.db2.gz VYHKIRDZAXVRKR-UHFFFAOYSA-N 1 2 224.308 0.758 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nnnn1C(C)(C)C ZINC000661088468 411698493 /nfs/dbraw/zinc/69/84/93/411698493.db2.gz IZMLODVCXOBHIZ-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nnnn1C(C)(C)C ZINC000661088468 411698494 /nfs/dbraw/zinc/69/84/94/411698494.db2.gz IZMLODVCXOBHIZ-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO CN(CC(=O)NCC1CCC1)Cc1c[nH+]c[nH]1 ZINC000661087573 411698887 /nfs/dbraw/zinc/69/88/87/411698887.db2.gz TYIDQJWWIUCCCX-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO CN(CC(=O)NCC1CCC1)Cc1c[nH]c[nH+]1 ZINC000661087573 411698893 /nfs/dbraw/zinc/69/88/93/411698893.db2.gz TYIDQJWWIUCCCX-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO Cn1ncnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000663537739 411699939 /nfs/dbraw/zinc/69/99/39/411699939.db2.gz BDSFKBMFWXZYEW-SNVBAGLBSA-N 1 2 232.291 0.853 20 0 BCADLO c1cn(C2CN(c3cnccn3)C2)c[nH+]1 ZINC000663713581 411730842 /nfs/dbraw/zinc/73/08/42/411730842.db2.gz WDOOEQVQNOWVQW-UHFFFAOYSA-N 1 2 201.233 0.734 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@]1(C)CCC(=O)N1 ZINC000583274198 411734509 /nfs/dbraw/zinc/73/45/09/411734509.db2.gz QYAQZOCINYCIFU-GFCCVEGCSA-N 1 2 234.303 1.174 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCN1CCCC1=O ZINC000568242588 411735006 /nfs/dbraw/zinc/73/50/06/411735006.db2.gz ORGLGVVZHIGXMQ-UHFFFAOYSA-N 1 2 248.330 1.518 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)NCC(F)F ZINC000568664594 411736637 /nfs/dbraw/zinc/73/66/37/411736637.db2.gz WRFZNRCLSQUCIE-UHFFFAOYSA-N 1 2 244.245 0.887 20 0 BCADLO Cc1cncnc1NCCCn1cc[nH+]c1 ZINC000641251903 411738297 /nfs/dbraw/zinc/73/82/97/411738297.db2.gz HIGBPIMKXCSYOT-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)CC(N)=O ZINC000565222292 411738672 /nfs/dbraw/zinc/73/86/72/411738672.db2.gz QTZNUMRLHHMCBC-SSDOTTSWSA-N 1 2 208.265 0.769 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1cc[nH]n1 ZINC000574464939 411739190 /nfs/dbraw/zinc/73/91/90/411739190.db2.gz YHCWZQURBXOYBU-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BCADLO CC[C@@H]1C[N@H+](CCNc2nncs2)CCO1 ZINC000450484521 411740074 /nfs/dbraw/zinc/74/00/74/411740074.db2.gz MGODURPSDLRWQI-SECBINFHSA-N 1 2 242.348 1.061 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNc2nncs2)CCO1 ZINC000450484521 411740078 /nfs/dbraw/zinc/74/00/78/411740078.db2.gz MGODURPSDLRWQI-SECBINFHSA-N 1 2 242.348 1.061 20 0 BCADLO Cc1cn2c([nH+]1)CN(c1ncnn1C)CC2 ZINC000663786060 411747431 /nfs/dbraw/zinc/74/74/31/411747431.db2.gz CGJWTVFSPJOAQI-UHFFFAOYSA-N 1 2 218.264 0.340 20 0 BCADLO CC[C@H]1C[N@H+](CCNc2nncs2)CCO1 ZINC000450484522 411755327 /nfs/dbraw/zinc/75/53/27/411755327.db2.gz MGODURPSDLRWQI-VIFPVBQESA-N 1 2 242.348 1.061 20 0 BCADLO CC[C@H]1C[N@@H+](CCNc2nncs2)CCO1 ZINC000450484522 411755328 /nfs/dbraw/zinc/75/53/28/411755328.db2.gz MGODURPSDLRWQI-VIFPVBQESA-N 1 2 242.348 1.061 20 0 BCADLO CSCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000591137276 411793048 /nfs/dbraw/zinc/79/30/48/411793048.db2.gz JVHRTXKLMDHFRD-QMMMGPOBSA-N 1 2 242.348 1.044 20 0 BCADLO CSCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000591137276 411793052 /nfs/dbraw/zinc/79/30/52/411793052.db2.gz JVHRTXKLMDHFRD-QMMMGPOBSA-N 1 2 242.348 1.044 20 0 BCADLO Cc1nc(N(C)C)nc(NCCc2ccc[nH]2)[nH+]1 ZINC000341930336 411765276 /nfs/dbraw/zinc/76/52/76/411765276.db2.gz CYPAAXRPVRRYJM-UHFFFAOYSA-N 1 2 246.318 1.229 20 0 BCADLO Cc1nc(NCCc2ccc[nH]2)nc(N(C)C)[nH+]1 ZINC000341930336 411765278 /nfs/dbraw/zinc/76/52/78/411765278.db2.gz CYPAAXRPVRRYJM-UHFFFAOYSA-N 1 2 246.318 1.229 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2ccon2)C1 ZINC000661389678 411765781 /nfs/dbraw/zinc/76/57/81/411765781.db2.gz NADWCEWQEDZYTA-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2ccon2)C1 ZINC000661389678 411765784 /nfs/dbraw/zinc/76/57/84/411765784.db2.gz NADWCEWQEDZYTA-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000661391493 411767308 /nfs/dbraw/zinc/76/73/08/411767308.db2.gz GHPRHIWMKADWOR-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000661391493 411767311 /nfs/dbraw/zinc/76/73/11/411767311.db2.gz GHPRHIWMKADWOR-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H]2F)[nH+]1 ZINC000338844790 411768556 /nfs/dbraw/zinc/76/85/56/411768556.db2.gz RIXBIJNGAHBECQ-DTWKUNHWSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@@H]2F)nc(N(C)C)[nH+]1 ZINC000338844790 411768559 /nfs/dbraw/zinc/76/85/59/411768559.db2.gz RIXBIJNGAHBECQ-DTWKUNHWSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC000645391066 411768740 /nfs/dbraw/zinc/76/87/40/411768740.db2.gz BNDZOZCLZFRBDL-CBAPKCEASA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000645391066 411768744 /nfs/dbraw/zinc/76/87/44/411768744.db2.gz BNDZOZCLZFRBDL-CBAPKCEASA-N 1 2 237.307 0.835 20 0 BCADLO COCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402067 411768974 /nfs/dbraw/zinc/76/89/74/411768974.db2.gz ZXXGRSIQFYKCKJ-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402067 411768979 /nfs/dbraw/zinc/76/89/79/411768979.db2.gz ZXXGRSIQFYKCKJ-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO O[C@H]1CCN(Cc2c[nH+]c[nH]2)CC1(F)F ZINC000661407035 411769570 /nfs/dbraw/zinc/76/95/70/411769570.db2.gz LEWVILOGTBZQIO-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO O[C@H]1CCN(Cc2c[nH]c[nH+]2)CC1(F)F ZINC000661407035 411769573 /nfs/dbraw/zinc/76/95/73/411769573.db2.gz LEWVILOGTBZQIO-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO Cc1nc2[nH]ccc2c(NCC(=O)N(C)C)[nH+]1 ZINC000348720343 411776764 /nfs/dbraw/zinc/77/67/64/411776764.db2.gz ATHGUTHZOBFIQJ-UHFFFAOYSA-N 1 2 233.275 0.766 20 0 BCADLO Cc1nc2[nH]ccc2c(NCc2ncn(C)n2)[nH+]1 ZINC000351512313 411777334 /nfs/dbraw/zinc/77/73/34/411777334.db2.gz YROAAMFHOHHESA-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BCADLO Cc1nc2[nH]ccc2c(NCC2(CO)COC2)[nH+]1 ZINC000446881599 411778373 /nfs/dbraw/zinc/77/83/73/411778373.db2.gz STYISVGKJLECJT-UHFFFAOYSA-N 1 2 248.286 0.687 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2nc[nH]n2)[nH+]1 ZINC000349895558 411778713 /nfs/dbraw/zinc/77/87/13/411778713.db2.gz ROUOYRLCQOAHMV-ZCFIWIBFSA-N 1 2 243.274 1.558 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H](C)CC(N)=O)[nH+]1 ZINC000433797038 411778751 /nfs/dbraw/zinc/77/87/51/411778751.db2.gz RVENQPNCGSHBAC-ZCFIWIBFSA-N 1 2 233.275 0.942 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2ccn(C)n2)[nH+]1 ZINC000635153848 411780902 /nfs/dbraw/zinc/78/09/02/411780902.db2.gz NCPFEVBHKLYFPP-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO Cc1nc(NCc2cc(C(N)=O)co2)c(C)c[nH+]1 ZINC000568250678 411782724 /nfs/dbraw/zinc/78/27/24/411782724.db2.gz YEHJLMLCSVCTJS-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BCADLO Cc1nc(N[C@H](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000450846593 411786412 /nfs/dbraw/zinc/78/64/12/411786412.db2.gz UERYOHXQVJQDQR-SECBINFHSA-N 1 2 231.303 1.562 20 0 BCADLO Cc1nc(NCc2nnnn2C2CC2)cc[nH+]1 ZINC000608093701 411788267 /nfs/dbraw/zinc/78/82/67/411788267.db2.gz YDMYODTYUOHPNP-UHFFFAOYSA-N 1 2 231.263 0.719 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165050 411724854 /nfs/dbraw/zinc/72/48/54/411724854.db2.gz QPAUKMUYZGQCSG-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165050 411724857 /nfs/dbraw/zinc/72/48/57/411724857.db2.gz QPAUKMUYZGQCSG-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165051 411726376 /nfs/dbraw/zinc/72/63/76/411726376.db2.gz QPAUKMUYZGQCSG-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165051 411726378 /nfs/dbraw/zinc/72/63/78/411726378.db2.gz QPAUKMUYZGQCSG-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746249 411863922 /nfs/dbraw/zinc/86/39/22/411863922.db2.gz YBRVEXQDBSAGCQ-LLVKDONJSA-N 1 2 242.323 0.034 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746249 411863925 /nfs/dbraw/zinc/86/39/25/411863925.db2.gz YBRVEXQDBSAGCQ-LLVKDONJSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000661748112 411864375 /nfs/dbraw/zinc/86/43/75/411864375.db2.gz YFMLBZZLSSNQGP-UHFFFAOYSA-N 1 2 239.323 0.162 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661748112 411864379 /nfs/dbraw/zinc/86/43/79/411864379.db2.gz YFMLBZZLSSNQGP-UHFFFAOYSA-N 1 2 239.323 0.162 20 0 BCADLO Cn1cc(C[N@H+](C)CCc2cscn2)nn1 ZINC000661745748 411864778 /nfs/dbraw/zinc/86/47/78/411864778.db2.gz UKVHCBFGKLLGJR-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(C[N@@H+](C)CCc2cscn2)nn1 ZINC000661745748 411864780 /nfs/dbraw/zinc/86/47/80/411864780.db2.gz UKVHCBFGKLLGJR-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CS[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000336706889 411794779 /nfs/dbraw/zinc/79/47/79/411794779.db2.gz PWYIUMUPFINCSW-ZETCQYMHSA-N 1 2 241.364 1.409 20 0 BCADLO CS[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000336706889 411794781 /nfs/dbraw/zinc/79/47/81/411794781.db2.gz PWYIUMUPFINCSW-ZETCQYMHSA-N 1 2 241.364 1.409 20 0 BCADLO CN(Cc1ccc[nH+]c1N)S(C)(=O)=O ZINC000663971044 411795079 /nfs/dbraw/zinc/79/50/79/411795079.db2.gz VPACLDRODFBZGR-UHFFFAOYSA-N 1 2 215.278 0.055 20 0 BCADLO C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H](C)C1=O ZINC000661544591 411800026 /nfs/dbraw/zinc/80/00/26/411800026.db2.gz GXUVSFJBCNAABL-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H](C)C1=O ZINC000661555137 411800789 /nfs/dbraw/zinc/80/07/89/411800789.db2.gz YDHVCCCXIPPHFU-RKDXNWHRSA-N 1 2 224.304 0.422 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCOC[C@H]1CO ZINC000661563755 411803447 /nfs/dbraw/zinc/80/34/47/411803447.db2.gz QMTIJKODOLDPPQ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccncc1C[N@H+]1CCOC[C@H]1CO ZINC000661563755 411803449 /nfs/dbraw/zinc/80/34/49/411803449.db2.gz QMTIJKODOLDPPQ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO CCn1ccc(CNc2nc[nH+]c(N)c2OC)n1 ZINC000570293053 411804451 /nfs/dbraw/zinc/80/44/51/411804451.db2.gz IIQAZBUKVFUDMK-UHFFFAOYSA-N 1 2 248.290 0.896 20 0 BCADLO CCn1ccc(CNc2[nH+]cnc(N)c2OC)n1 ZINC000570293053 411804455 /nfs/dbraw/zinc/80/44/55/411804455.db2.gz IIQAZBUKVFUDMK-UHFFFAOYSA-N 1 2 248.290 0.896 20 0 BCADLO C[C@@H](CC(=O)Nc1ccn(C)n1)n1cc[nH+]c1 ZINC000578326742 411812803 /nfs/dbraw/zinc/81/28/03/411812803.db2.gz DEXNQWYVKCGQMV-VIFPVBQESA-N 1 2 233.275 1.206 20 0 BCADLO Cc1noc(CCCNc2cc(C)[nH+]cn2)n1 ZINC000352938442 411816273 /nfs/dbraw/zinc/81/62/73/411816273.db2.gz IAMOYAASKPYQJW-UHFFFAOYSA-N 1 2 233.275 1.521 20 0 BCADLO Cc1cc(N2CCO[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664021263 411817165 /nfs/dbraw/zinc/81/71/65/411817165.db2.gz ZCYADAWRMIOEHB-VHSXEESVSA-N 1 2 223.276 0.371 20 0 BCADLO C[C@@H](CCO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000361815537 411817315 /nfs/dbraw/zinc/81/73/15/411817315.db2.gz QGPFGWIYGBYQQH-JTQLQIEISA-N 1 2 232.287 1.450 20 0 BCADLO COc1cc(C[N@H+](C)C[C@H]2COCCO2)on1 ZINC000661615287 411817768 /nfs/dbraw/zinc/81/77/68/411817768.db2.gz YRTPGKYQYUCDSG-JTQLQIEISA-N 1 2 242.275 0.530 20 0 BCADLO COc1cc(C[N@@H+](C)C[C@H]2COCCO2)on1 ZINC000661615287 411817773 /nfs/dbraw/zinc/81/77/73/411817773.db2.gz YRTPGKYQYUCDSG-JTQLQIEISA-N 1 2 242.275 0.530 20 0 BCADLO Cc1nc(N[C@H](CO)Cc2cnn(C)c2)cc[nH+]1 ZINC000664025343 411818263 /nfs/dbraw/zinc/81/82/63/411818263.db2.gz MORCSLKQBAMSSF-NSHDSACASA-N 1 2 247.302 0.534 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000664028405 411819560 /nfs/dbraw/zinc/81/95/60/411819560.db2.gz PORUEVMPEYLOGR-SNVBAGLBSA-N 1 2 220.276 0.500 20 0 BCADLO C[C@@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450239820 411820161 /nfs/dbraw/zinc/82/01/61/411820161.db2.gz ZODRQHUDTPPEEC-VIFPVBQESA-N 1 2 246.314 1.489 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC000396936674 411823271 /nfs/dbraw/zinc/82/32/71/411823271.db2.gz DVZKFUCTMLNKBX-VIFPVBQESA-N 1 2 228.259 1.045 20 0 BCADLO Cc1cnc(=O)n(CCc2c[nH+]cn2C)c1 ZINC000664041770 411823958 /nfs/dbraw/zinc/82/39/58/411823958.db2.gz OBUINYLBGIPYIU-UHFFFAOYSA-N 1 2 218.260 0.528 20 0 BCADLO C[C@H](C[N@H+](C)CC1=CCCOC1)S(C)(=O)=O ZINC000661653223 411831108 /nfs/dbraw/zinc/83/11/08/411831108.db2.gz RFCBXJYPMDLUOX-SNVBAGLBSA-N 1 2 247.360 0.698 20 0 BCADLO C[C@H](C[N@@H+](C)CC1=CCCOC1)S(C)(=O)=O ZINC000661653223 411831110 /nfs/dbraw/zinc/83/11/10/411831110.db2.gz RFCBXJYPMDLUOX-SNVBAGLBSA-N 1 2 247.360 0.698 20 0 BCADLO C[C@@H]1CC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000553705288 411838600 /nfs/dbraw/zinc/83/86/00/411838600.db2.gz XQRUDRLAESYOJV-SVRRBLITSA-N 1 2 232.291 1.156 20 0 BCADLO Cn1ccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000344185786 411839714 /nfs/dbraw/zinc/83/97/14/411839714.db2.gz LFOAJEZGAQTIFN-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO C/C=C/C[C@@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631209961 411848919 /nfs/dbraw/zinc/84/89/19/411848919.db2.gz CPEYESPBFRQFFM-RTMURIBGSA-N 1 2 223.280 0.501 20 0 BCADLO C/C=C/C[C@@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631209961 411848924 /nfs/dbraw/zinc/84/89/24/411848924.db2.gz CPEYESPBFRQFFM-RTMURIBGSA-N 1 2 223.280 0.501 20 0 BCADLO CCN(CC(C)(C)O)c1nc(C)[nH+]c(N)n1 ZINC000631118164 411850688 /nfs/dbraw/zinc/85/06/88/411850688.db2.gz GUWOUYQIVIXNFC-UHFFFAOYSA-N 1 2 225.296 0.359 20 0 BCADLO CCN(CC(C)(C)O)c1nc(N)nc(C)[nH+]1 ZINC000631118164 411850694 /nfs/dbraw/zinc/85/06/94/411850694.db2.gz GUWOUYQIVIXNFC-UHFFFAOYSA-N 1 2 225.296 0.359 20 0 BCADLO CN(C)c1cnn(Cc2c[nH+]cn2C)c(=O)c1 ZINC000664090458 411850762 /nfs/dbraw/zinc/85/07/62/411850762.db2.gz MLUBYULTDDEAJJ-UHFFFAOYSA-N 1 2 233.275 0.091 20 0 BCADLO C[C@@]12COC[C@H]1C[N@H+](CCc1cnn[nH]1)C2 ZINC000661708576 411851038 /nfs/dbraw/zinc/85/10/38/411851038.db2.gz NRVLEBRZAVXRMU-MWLCHTKSSA-N 1 2 222.292 0.316 20 0 BCADLO C[C@@]12COC[C@H]1C[N@@H+](CCc1cnn[nH]1)C2 ZINC000661708576 411851040 /nfs/dbraw/zinc/85/10/40/411851040.db2.gz NRVLEBRZAVXRMU-MWLCHTKSSA-N 1 2 222.292 0.316 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000639615849 411854196 /nfs/dbraw/zinc/85/41/96/411854196.db2.gz QQMHJHAXXVRUMA-JTQLQIEISA-N 1 2 234.303 0.827 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000639615849 411854205 /nfs/dbraw/zinc/85/42/05/411854205.db2.gz QQMHJHAXXVRUMA-JTQLQIEISA-N 1 2 234.303 0.827 20 0 BCADLO CC(=O)N1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000428906610 411854601 /nfs/dbraw/zinc/85/46/01/411854601.db2.gz LWBURMKWWKVFOO-VIFPVBQESA-N 1 2 248.286 0.471 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721668 411858727 /nfs/dbraw/zinc/85/87/27/411858727.db2.gz UNNMJYOFKBBIIT-WCBMZHEXSA-N 1 2 208.265 0.070 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721668 411858730 /nfs/dbraw/zinc/85/87/30/411858730.db2.gz UNNMJYOFKBBIIT-WCBMZHEXSA-N 1 2 208.265 0.070 20 0 BCADLO COCC1(CCNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631325425 411860384 /nfs/dbraw/zinc/86/03/84/411860384.db2.gz ZAKKMHNOONCXQG-UHFFFAOYSA-N 1 2 237.307 0.413 20 0 BCADLO COCC1(CCNc2nc(N)nc(C)[nH+]2)CC1 ZINC000631325425 411860389 /nfs/dbraw/zinc/86/03/89/411860389.db2.gz ZAKKMHNOONCXQG-UHFFFAOYSA-N 1 2 237.307 0.413 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccnc(N)c1 ZINC000411372658 411862450 /nfs/dbraw/zinc/86/24/50/411862450.db2.gz VUBPRWJQQLGLBD-VIFPVBQESA-N 1 2 237.303 1.047 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccnc(N)c1 ZINC000411372658 411862454 /nfs/dbraw/zinc/86/24/54/411862454.db2.gz VUBPRWJQQLGLBD-VIFPVBQESA-N 1 2 237.303 1.047 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)c1ncnc2c1ncn2C ZINC000664127340 411862544 /nfs/dbraw/zinc/86/25/44/411862544.db2.gz OFIQBAGOOMEONH-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)c1ncnc2c1ncn2C ZINC000664127340 411862547 /nfs/dbraw/zinc/86/25/47/411862547.db2.gz OFIQBAGOOMEONH-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO COCC[N@H+](C)[C@H](C)c1nccc(N)n1 ZINC000571654773 411862926 /nfs/dbraw/zinc/86/29/26/411862926.db2.gz WBZBWDUUKFKJLZ-MRVPVSSYSA-N 1 2 210.281 0.698 20 0 BCADLO COCC[N@@H+](C)[C@H](C)c1nccc(N)n1 ZINC000571654773 411862931 /nfs/dbraw/zinc/86/29/31/411862931.db2.gz WBZBWDUUKFKJLZ-MRVPVSSYSA-N 1 2 210.281 0.698 20 0 BCADLO CC[C@@]1(O)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631487703 411884820 /nfs/dbraw/zinc/88/48/20/411884820.db2.gz ZVKNYXXQQUEWBC-LLVKDONJSA-N 1 2 237.307 0.504 20 0 BCADLO CC[C@@]1(O)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631487703 411884826 /nfs/dbraw/zinc/88/48/26/411884826.db2.gz ZVKNYXXQQUEWBC-LLVKDONJSA-N 1 2 237.307 0.504 20 0 BCADLO CC[C@]1(O)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631218643 411886117 /nfs/dbraw/zinc/88/61/17/411886117.db2.gz DFOXCQYCEIKDTC-JTQLQIEISA-N 1 2 223.280 0.113 20 0 BCADLO CC[C@]1(O)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631218643 411886121 /nfs/dbraw/zinc/88/61/21/411886121.db2.gz DFOXCQYCEIKDTC-JTQLQIEISA-N 1 2 223.280 0.113 20 0 BCADLO CC[C@H](C[C@@H](C)CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631141872 411886638 /nfs/dbraw/zinc/88/66/38/411886638.db2.gz KCEFWGOAFZRNPF-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@H](C[C@@H](C)CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631141872 411886654 /nfs/dbraw/zinc/88/66/54/411886654.db2.gz KCEFWGOAFZRNPF-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO CCc1cc(NCc2nc(C(N)=O)co2)nc[nH+]1 ZINC000664194935 411886745 /nfs/dbraw/zinc/88/67/45/411886745.db2.gz JKYLOLSSINQKSL-UHFFFAOYSA-N 1 2 247.258 0.738 20 0 BCADLO CC[C@]1(O)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631487704 411886883 /nfs/dbraw/zinc/88/68/83/411886883.db2.gz ZVKNYXXQQUEWBC-NSHDSACASA-N 1 2 237.307 0.504 20 0 BCADLO CC[C@]1(O)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631487704 411886887 /nfs/dbraw/zinc/88/68/87/411886887.db2.gz ZVKNYXXQQUEWBC-NSHDSACASA-N 1 2 237.307 0.504 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806085 411888350 /nfs/dbraw/zinc/88/83/50/411888350.db2.gz WLQMDPMFKVNTGC-VIFPVBQESA-N 1 2 249.318 0.284 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806085 411888352 /nfs/dbraw/zinc/88/83/52/411888352.db2.gz WLQMDPMFKVNTGC-VIFPVBQESA-N 1 2 249.318 0.284 20 0 BCADLO Nc1[nH+]cnc(NC/C=C/CO)c1Cl ZINC000664237107 411891678 /nfs/dbraw/zinc/89/16/78/411891678.db2.gz RBVBPBSIDDBEAG-OWOJBTEDSA-N 1 2 214.656 0.673 20 0 BCADLO Nc1nc[nH+]c(NC/C=C/CO)c1Cl ZINC000664237107 411891680 /nfs/dbraw/zinc/89/16/80/411891680.db2.gz RBVBPBSIDDBEAG-OWOJBTEDSA-N 1 2 214.656 0.673 20 0 BCADLO Cc1nc(N(C)C)nc(NC/C=C/CO)[nH+]1 ZINC000664238628 411894051 /nfs/dbraw/zinc/89/40/51/411894051.db2.gz YVYMETXQECODOV-SNAWJCMRSA-N 1 2 223.280 0.206 20 0 BCADLO Cc1nc(NC/C=C/CO)nc(N(C)C)[nH+]1 ZINC000664238628 411894053 /nfs/dbraw/zinc/89/40/53/411894053.db2.gz YVYMETXQECODOV-SNAWJCMRSA-N 1 2 223.280 0.206 20 0 BCADLO Cc1noc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)n1 ZINC000661831481 411895275 /nfs/dbraw/zinc/89/52/75/411895275.db2.gz OVDDXTOPMKBVTJ-RKDXNWHRSA-N 1 2 223.276 0.771 20 0 BCADLO CCn1cc(CN(C)c2nc(C)[nH+]c(N)n2)cn1 ZINC000631119111 411903368 /nfs/dbraw/zinc/90/33/68/411903368.db2.gz TVGGJFKSABMACJ-UHFFFAOYSA-N 1 2 247.306 0.615 20 0 BCADLO CCn1cc(CN(C)c2nc(N)nc(C)[nH+]2)cn1 ZINC000631119111 411903372 /nfs/dbraw/zinc/90/33/72/411903372.db2.gz TVGGJFKSABMACJ-UHFFFAOYSA-N 1 2 247.306 0.615 20 0 BCADLO Cc1nc(NC[C@H]2C(C)(C)C2(F)F)nc(N)[nH+]1 ZINC000631377710 411942586 /nfs/dbraw/zinc/94/25/86/411942586.db2.gz GFBGHEDGQTVKDX-LURJTMIESA-N 1 2 243.261 0.887 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2C(C)(C)C2(F)F)[nH+]1 ZINC000631377710 411942590 /nfs/dbraw/zinc/94/25/90/411942590.db2.gz GFBGHEDGQTVKDX-LURJTMIESA-N 1 2 243.261 0.887 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)c2ncnn2C)c2[nH+]ccn21 ZINC000664274904 411908282 /nfs/dbraw/zinc/90/82/82/411908282.db2.gz FABANUXLTGNLAA-HTQZYQBOSA-N 1 2 246.274 0.447 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC(=O)N1C ZINC000647538067 411909046 /nfs/dbraw/zinc/90/90/46/411909046.db2.gz FCLGWFJGFDGGQU-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC(=O)N1C ZINC000647538067 411909050 /nfs/dbraw/zinc/90/90/50/411909050.db2.gz FCLGWFJGFDGGQU-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO Cc1cc(CNC(=O)c2ncnn2C)cc(C)[nH+]1 ZINC000664277828 411910952 /nfs/dbraw/zinc/91/09/52/411910952.db2.gz MPUTZXXOAVANJC-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000626908826 411911486 /nfs/dbraw/zinc/91/14/86/411911486.db2.gz OELDGFTVIBKIPU-HTRCEHHLSA-N 1 2 234.259 0.127 20 0 BCADLO Cc1nc(NCc2cncnc2N)cc[nH+]1 ZINC000336698440 411916022 /nfs/dbraw/zinc/91/60/22/411916022.db2.gz ZNPSXWZJEKZXQD-UHFFFAOYSA-N 1 2 216.248 0.191 20 0 BCADLO Cc1nc(N(CCO)C2CCC2)nc(N)[nH+]1 ZINC000631232647 411942917 /nfs/dbraw/zinc/94/29/17/411942917.db2.gz COGPEGGNHFYYOX-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N)nc(N(CCO)C2CCC2)[nH+]1 ZINC000631232647 411942921 /nfs/dbraw/zinc/94/29/21/411942921.db2.gz COGPEGGNHFYYOX-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO CO[C@@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000664310689 411919768 /nfs/dbraw/zinc/91/97/68/411919768.db2.gz PJBHWUPWGBKZIJ-ZETCQYMHSA-N 1 2 224.264 0.728 20 0 BCADLO CO[C@@H](C)CNc1[nH+]cnc2c1OCCN2 ZINC000664310689 411919773 /nfs/dbraw/zinc/91/97/73/411919773.db2.gz PJBHWUPWGBKZIJ-ZETCQYMHSA-N 1 2 224.264 0.728 20 0 BCADLO Cc1nocc1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000551954793 411921865 /nfs/dbraw/zinc/92/18/65/411921865.db2.gz RPLYXPVKROBJGO-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1nocc1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000551954793 411921871 /nfs/dbraw/zinc/92/18/71/411921871.db2.gz RPLYXPVKROBJGO-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000570719047 411924415 /nfs/dbraw/zinc/92/44/15/411924415.db2.gz HNIKHQACGZXREU-IONNQARKSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000570719047 411924419 /nfs/dbraw/zinc/92/44/19/411924419.db2.gz HNIKHQACGZXREU-IONNQARKSA-N 1 2 243.332 0.307 20 0 BCADLO O=c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)nc2cc[nH]n21 ZINC000661971385 411926801 /nfs/dbraw/zinc/92/68/01/411926801.db2.gz NRWRRHVHSZANSY-UWVGGRQHSA-N 1 2 244.298 0.864 20 0 BCADLO O=c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)nc2cc[nH]n21 ZINC000661971385 411926805 /nfs/dbraw/zinc/92/68/05/411926805.db2.gz NRWRRHVHSZANSY-UWVGGRQHSA-N 1 2 244.298 0.864 20 0 BCADLO Nc1nc(NC[C@H](O)C2CC2)[nH+]c2ccccc12 ZINC000536537540 411930017 /nfs/dbraw/zinc/93/00/17/411930017.db2.gz KXWAUARUHPOEFB-NSHDSACASA-N 1 2 244.298 0.817 20 0 BCADLO CC[C@@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664366303 411930635 /nfs/dbraw/zinc/93/06/35/411930635.db2.gz BCBZOFPUPPNPPJ-ZCFIWIBFSA-N 1 2 236.279 0.128 20 0 BCADLO Cc1nc(NCC[C@H]2CC2(F)F)nc(N)[nH+]1 ZINC000631386598 411934337 /nfs/dbraw/zinc/93/43/37/411934337.db2.gz PLZGSAAUQHGJSA-LURJTMIESA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NCC[C@H]2CC2(F)F)[nH+]1 ZINC000631386598 411934341 /nfs/dbraw/zinc/93/43/41/411934341.db2.gz PLZGSAAUQHGJSA-LURJTMIESA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(NCC2(C(F)(F)F)CC2)nc(N)[nH+]1 ZINC000631276221 411937185 /nfs/dbraw/zinc/93/71/85/411937185.db2.gz LTMPFUZBXDVGOV-UHFFFAOYSA-N 1 2 247.224 0.939 20 0 BCADLO Cc1nc(N)nc(NCC2(C(F)(F)F)CC2)[nH+]1 ZINC000631276221 411937186 /nfs/dbraw/zinc/93/71/86/411937186.db2.gz LTMPFUZBXDVGOV-UHFFFAOYSA-N 1 2 247.224 0.939 20 0 BCADLO Cc1nc(N(C)CC2(C)COC2)nc(N)[nH+]1 ZINC000631387635 411938418 /nfs/dbraw/zinc/93/84/18/411938418.db2.gz QBURDTOFEAPOFQ-UHFFFAOYSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1nc(N)nc(N(C)CC2(C)COC2)[nH+]1 ZINC000631387635 411938424 /nfs/dbraw/zinc/93/84/24/411938424.db2.gz QBURDTOFEAPOFQ-UHFFFAOYSA-N 1 2 223.280 0.235 20 0 BCADLO Nc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000375731935 411939472 /nfs/dbraw/zinc/93/94/72/411939472.db2.gz PKKDNFNICNGNOZ-JTQLQIEISA-N 1 2 248.286 0.300 20 0 BCADLO Nc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000375731935 411939477 /nfs/dbraw/zinc/93/94/77/411939477.db2.gz PKKDNFNICNGNOZ-JTQLQIEISA-N 1 2 248.286 0.300 20 0 BCADLO Nc1nc(N2C[C@H]3C[C@@]3(O)C2)[nH+]c2ccccc12 ZINC000641711467 411939589 /nfs/dbraw/zinc/93/95/89/411939589.db2.gz CYOXIYVEYPLIAP-AMIZOPFISA-N 1 2 242.282 0.783 20 0 BCADLO Cc1nc(N(C)CC2=CCCOC2)nc(N)[nH+]1 ZINC000631361618 411939660 /nfs/dbraw/zinc/93/96/60/411939660.db2.gz VHPUTSLNSHPGDX-UHFFFAOYSA-N 1 2 235.291 0.545 20 0 BCADLO Cc1nc(N)nc(N(C)CC2=CCCOC2)[nH+]1 ZINC000631361618 411939663 /nfs/dbraw/zinc/93/96/63/411939663.db2.gz VHPUTSLNSHPGDX-UHFFFAOYSA-N 1 2 235.291 0.545 20 0 BCADLO Nc1nc(N2C[C@@H]3C[C@]3(O)C2)[nH+]c2ccccc12 ZINC000641711470 411939892 /nfs/dbraw/zinc/93/98/92/411939892.db2.gz CYOXIYVEYPLIAP-SDBXPKJASA-N 1 2 242.282 0.783 20 0 BCADLO CC[C@@H](C[C@H](C)CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631141870 411876409 /nfs/dbraw/zinc/87/64/09/411876409.db2.gz KCEFWGOAFZRNPF-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@@H](C[C@H](C)CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631141870 411876416 /nfs/dbraw/zinc/87/64/16/411876416.db2.gz KCEFWGOAFZRNPF-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCCOC1 ZINC000336686334 411884450 /nfs/dbraw/zinc/88/44/50/411884450.db2.gz URLAPXCONNHPPW-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCOC1 ZINC000336686334 411884453 /nfs/dbraw/zinc/88/44/53/411884453.db2.gz URLAPXCONNHPPW-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@@H](F)C2)nc(N)[nH+]1 ZINC000631196288 411963763 /nfs/dbraw/zinc/96/37/63/411963763.db2.gz JVCMPRLJNWLUQY-SVRRBLITSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@@H](F)C2)[nH+]1 ZINC000631196288 411963766 /nfs/dbraw/zinc/96/37/66/411963766.db2.gz JVCMPRLJNWLUQY-SVRRBLITSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N2CCO[C@H](CCF)C2)nc(N)[nH+]1 ZINC000631391998 411963961 /nfs/dbraw/zinc/96/39/61/411963961.db2.gz ULZDLWWCMOAXEB-MRVPVSSYSA-N 1 2 241.270 0.327 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](CCF)C2)[nH+]1 ZINC000631391998 411963964 /nfs/dbraw/zinc/96/39/64/411963964.db2.gz ULZDLWWCMOAXEB-MRVPVSSYSA-N 1 2 241.270 0.327 20 0 BCADLO Cc1nc(N2CCC(=O)N(C)CC2)cc[nH+]1 ZINC000664462793 411964867 /nfs/dbraw/zinc/96/48/67/411964867.db2.gz PMMBZIMPDGTJNG-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO Cc1nc(N[C@H]2CSC2(C)C)nc(N)[nH+]1 ZINC000393786363 411968022 /nfs/dbraw/zinc/96/80/22/411968022.db2.gz NLJKLMYRPRBIAM-LURJTMIESA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CSC2(C)C)[nH+]1 ZINC000393786363 411968027 /nfs/dbraw/zinc/96/80/27/411968027.db2.gz NLJKLMYRPRBIAM-LURJTMIESA-N 1 2 225.321 1.068 20 0 BCADLO Nc1ccnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000371433748 411968409 /nfs/dbraw/zinc/96/84/09/411968409.db2.gz YFZCOABPWKVNMS-VIFPVBQESA-N 1 2 244.302 1.119 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H](C)O[C@H]2C)nc(N)[nH+]1 ZINC000384664229 411968575 /nfs/dbraw/zinc/96/85/75/411968575.db2.gz WOTGFZWMZMFAJZ-VMHSAVOQSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@H](C)O[C@H]2C)[nH+]1 ZINC000384664229 411968577 /nfs/dbraw/zinc/96/85/77/411968577.db2.gz WOTGFZWMZMFAJZ-VMHSAVOQSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1ccc(NCc2c[nH+]c(C)nc2N)nn1 ZINC000631314614 411970879 /nfs/dbraw/zinc/97/08/79/411970879.db2.gz BCTHYNZOZDRHDW-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1ccnc(N)c1)C2 ZINC000330188560 411972586 /nfs/dbraw/zinc/97/25/86/411972586.db2.gz LFRZUAVQLRKUPC-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccnc(N)c1)C2 ZINC000330188560 411972591 /nfs/dbraw/zinc/97/25/91/411972591.db2.gz LFRZUAVQLRKUPC-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC2(COC2)C1 ZINC000662074025 411974188 /nfs/dbraw/zinc/97/41/88/411974188.db2.gz ZWTLIEGDRTVNSQ-VIFPVBQESA-N 1 2 249.318 0.791 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC2(COC2)C1 ZINC000662074025 411974190 /nfs/dbraw/zinc/97/41/90/411974190.db2.gz ZWTLIEGDRTVNSQ-VIFPVBQESA-N 1 2 249.318 0.791 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331163168 411975174 /nfs/dbraw/zinc/97/51/74/411975174.db2.gz FXMVFUJKOHDFMU-QMMMGPOBSA-N 1 2 235.291 0.773 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331163168 411975178 /nfs/dbraw/zinc/97/51/78/411975178.db2.gz FXMVFUJKOHDFMU-QMMMGPOBSA-N 1 2 235.291 0.773 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H](O)C(C)C)c[nH+]1 ZINC000518982981 411984967 /nfs/dbraw/zinc/98/49/67/411984967.db2.gz ATDKCNCMLXIRBP-SECBINFHSA-N 1 2 238.291 0.000 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662097170 411984896 /nfs/dbraw/zinc/98/48/96/411984896.db2.gz NOZOWSUYKBIWSK-QMMMGPOBSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662097170 411984900 /nfs/dbraw/zinc/98/49/00/411984900.db2.gz NOZOWSUYKBIWSK-QMMMGPOBSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2nccnc2C1 ZINC000662129767 411996659 /nfs/dbraw/zinc/99/66/59/411996659.db2.gz QMEROQYDZPBJQE-SECBINFHSA-N 1 2 234.303 0.311 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2nccnc2C1 ZINC000662129767 411996661 /nfs/dbraw/zinc/99/66/61/411996661.db2.gz QMEROQYDZPBJQE-SECBINFHSA-N 1 2 234.303 0.311 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@]1(C)CO ZINC000662145049 412006558 /nfs/dbraw/zinc/00/65/58/412006558.db2.gz WALYYNKXXKKHRE-MWLCHTKSSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@]1(C)CO ZINC000662145049 412006560 /nfs/dbraw/zinc/00/65/60/412006560.db2.gz WALYYNKXXKKHRE-MWLCHTKSSA-N 1 2 224.308 0.298 20 0 BCADLO OCC1CC(Nc2nc[nH+]c3c2OCCN3)C1 ZINC000664648905 412007102 /nfs/dbraw/zinc/00/71/02/412007102.db2.gz MNHPTZPMBNMXDX-UHFFFAOYSA-N 1 2 236.275 0.464 20 0 BCADLO OCC1CC(Nc2[nH+]cnc3c2OCCN3)C1 ZINC000664648905 412007105 /nfs/dbraw/zinc/00/71/05/412007105.db2.gz MNHPTZPMBNMXDX-UHFFFAOYSA-N 1 2 236.275 0.464 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c(C)nc2N)on1 ZINC000552020353 411947131 /nfs/dbraw/zinc/94/71/31/411947131.db2.gz OGCQWNRPMQTBMC-UHFFFAOYSA-N 1 2 247.258 0.594 20 0 BCADLO Cc1cc(C)nc(NCc2c[nH+]c(C)nc2N)n1 ZINC000631315336 411950710 /nfs/dbraw/zinc/95/07/10/411950710.db2.gz OPSWCXRIEPAYQW-UHFFFAOYSA-N 1 2 244.302 0.808 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662035699 411953565 /nfs/dbraw/zinc/95/35/65/411953565.db2.gz HBZZIVSBOUGCRC-NXEZZACHSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662035699 411953568 /nfs/dbraw/zinc/95/35/68/411953568.db2.gz HBZZIVSBOUGCRC-NXEZZACHSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(N2CCC[C@@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631175320 411962450 /nfs/dbraw/zinc/96/24/50/411962450.db2.gz MPJSAJGQGWQOLV-IONNQARKSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]([C@H](C)O)C2)[nH+]1 ZINC000631175320 411962454 /nfs/dbraw/zinc/96/24/54/411962454.db2.gz MPJSAJGQGWQOLV-IONNQARKSA-N 1 2 237.307 0.359 20 0 BCADLO CCc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000664455008 411962451 /nfs/dbraw/zinc/96/24/51/411962451.db2.gz RSRRMSFPZBFTRX-ZETCQYMHSA-N 1 2 249.274 0.857 20 0 BCADLO Cc1nc(N2CC[C@H](OC(F)F)C2)nc(N)[nH+]1 ZINC000631265456 411962714 /nfs/dbraw/zinc/96/27/14/411962714.db2.gz FCLABHKAWZFLAB-LURJTMIESA-N 1 2 245.233 0.580 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](OC(F)F)C2)[nH+]1 ZINC000631265456 411962719 /nfs/dbraw/zinc/96/27/19/411962719.db2.gz FCLABHKAWZFLAB-LURJTMIESA-N 1 2 245.233 0.580 20 0 BCADLO CN1C[C@H](CNc2cccc[nH+]2)CC1=O ZINC000664459620 411962670 /nfs/dbraw/zinc/96/26/70/411962670.db2.gz AIQIEFRZNQBCDM-VIFPVBQESA-N 1 2 205.261 0.972 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662231913 412032814 /nfs/dbraw/zinc/03/28/14/412032814.db2.gz UEYWVSITKUYRCG-MNOVXSKESA-N 1 2 244.335 0.502 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662231913 412032818 /nfs/dbraw/zinc/03/28/18/412032818.db2.gz UEYWVSITKUYRCG-MNOVXSKESA-N 1 2 244.335 0.502 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC(=O)N2)s1 ZINC000662254243 412049999 /nfs/dbraw/zinc/04/99/99/412049999.db2.gz GGBXLWCIFRUVKL-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC(=O)N2)s1 ZINC000662254243 412050000 /nfs/dbraw/zinc/05/00/00/412050000.db2.gz GGBXLWCIFRUVKL-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NC/C=C\CO ZINC000664996103 412056963 /nfs/dbraw/zinc/05/69/63/412056963.db2.gz KUQSRLHKOPKOEE-ARJAWSKDSA-N 1 2 238.291 0.251 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000664997858 412057842 /nfs/dbraw/zinc/05/78/42/412057842.db2.gz ZBINJEWIXULYNO-KYZUINATSA-N 1 2 238.291 0.226 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000292497228 171024907 /nfs/dbraw/zinc/02/49/07/171024907.db2.gz UHYIZIFOTRMUQW-ZCFIWIBFSA-N 1 2 208.269 0.020 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000292497228 171024909 /nfs/dbraw/zinc/02/49/09/171024909.db2.gz UHYIZIFOTRMUQW-ZCFIWIBFSA-N 1 2 208.269 0.020 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000268072084 171048958 /nfs/dbraw/zinc/04/89/58/171048958.db2.gz ASYIBHOFEMZJAL-NXEZZACHSA-N 1 2 237.303 0.994 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)OC)CCCO1 ZINC000300806624 171076764 /nfs/dbraw/zinc/07/67/64/171076764.db2.gz BLIJAMMMBDJJCE-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)OC)CCCO1 ZINC000300806624 171076766 /nfs/dbraw/zinc/07/67/66/171076766.db2.gz BLIJAMMMBDJJCE-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)OC)C[C@@]2(CCOC2)O1 ZINC000369876843 171077017 /nfs/dbraw/zinc/07/70/17/171077017.db2.gz DEMMKFFMQCJETM-ZYHUDNBSSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)OC)C[C@@]2(CCOC2)O1 ZINC000369876843 171077020 /nfs/dbraw/zinc/07/70/20/171077020.db2.gz DEMMKFFMQCJETM-ZYHUDNBSSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H]1C[N@H+](CCO)C[C@H](C)[S@@]1=O ZINC000306506466 171080922 /nfs/dbraw/zinc/08/09/22/171080922.db2.gz VQAGVJVEUJERDM-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@@H+](CCO)C[C@H](C)[S@@]1=O ZINC000306506466 171080923 /nfs/dbraw/zinc/08/09/23/171080923.db2.gz VQAGVJVEUJERDM-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000336681184 171090261 /nfs/dbraw/zinc/09/02/61/171090261.db2.gz ZOBUIKLTLRUCQG-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000336681184 171090263 /nfs/dbraw/zinc/09/02/63/171090263.db2.gz ZOBUIKLTLRUCQG-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000092486850 171091913 /nfs/dbraw/zinc/09/19/13/171091913.db2.gz COUJBLRSNMLGAP-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000092486850 171091916 /nfs/dbraw/zinc/09/19/16/171091916.db2.gz COUJBLRSNMLGAP-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000333260444 171092426 /nfs/dbraw/zinc/09/24/26/171092426.db2.gz FPQCMKXTOLICKQ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000333260444 171092428 /nfs/dbraw/zinc/09/24/28/171092428.db2.gz FPQCMKXTOLICKQ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCC(C)C ZINC000115572949 171105786 /nfs/dbraw/zinc/10/57/86/171105786.db2.gz PAWJGCIJVVNCQX-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)NCC(C)C ZINC000115572949 171105787 /nfs/dbraw/zinc/10/57/87/171105787.db2.gz PAWJGCIJVVNCQX-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000336660685 171107041 /nfs/dbraw/zinc/10/70/41/171107041.db2.gz AZDJXYWDXAZCNR-GHMZBOCLSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000336660685 171107042 /nfs/dbraw/zinc/10/70/42/171107042.db2.gz AZDJXYWDXAZCNR-GHMZBOCLSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000366702555 171139658 /nfs/dbraw/zinc/13/96/58/171139658.db2.gz OIRQZNGMJPPOIF-MXWKQRLJSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000366702555 171139661 /nfs/dbraw/zinc/13/96/61/171139661.db2.gz OIRQZNGMJPPOIF-MXWKQRLJSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000272020622 171143782 /nfs/dbraw/zinc/14/37/82/171143782.db2.gz CDUDZTNTSDAXOE-VIFPVBQESA-N 1 2 236.275 0.604 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281161084 171168653 /nfs/dbraw/zinc/16/86/53/171168653.db2.gz KNAILVLCEFSRPF-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281161084 171168658 /nfs/dbraw/zinc/16/86/58/171168658.db2.gz KNAILVLCEFSRPF-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000070887079 171168706 /nfs/dbraw/zinc/16/87/06/171168706.db2.gz IHVHVSQPNFNHHO-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO CC[C@@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272883565 171169728 /nfs/dbraw/zinc/16/97/28/171169728.db2.gz VVVYQRCMJNFRRY-JTQLQIEISA-N 1 2 211.265 0.609 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000336762943 171176071 /nfs/dbraw/zinc/17/60/71/171176071.db2.gz OKIZEZVMMZTPNY-WCBMZHEXSA-N 1 2 235.349 0.642 20 0 BCADLO CC[C@@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000271196966 171176621 /nfs/dbraw/zinc/17/66/21/171176621.db2.gz PAVXHOGUAZZGTK-LLVKDONJSA-N 1 2 225.292 0.851 20 0 BCADLO CC[C@@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000112284327 171187942 /nfs/dbraw/zinc/18/79/42/171187942.db2.gz WOJOQHSXRZEUKR-LLVKDONJSA-N 1 2 235.291 0.936 20 0 BCADLO CC[C@H](C(=O)NCCn1cc[nH+]c1)C(=O)OC ZINC000276623970 171228603 /nfs/dbraw/zinc/22/86/03/171228603.db2.gz ULFHXEYTWAWXQU-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO CC[C@H](C(=O)NCc1[nH]c[nH+]c1C)C(=O)OC ZINC000276741457 171230245 /nfs/dbraw/zinc/23/02/45/171230245.db2.gz GNFFBGBAGSDBDQ-MRVPVSSYSA-N 1 2 239.275 0.534 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cnn(C)c1 ZINC000061679360 171243029 /nfs/dbraw/zinc/24/30/29/171243029.db2.gz ZABYHZMUIXWNEE-SECBINFHSA-N 1 2 210.281 0.116 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cnn(C)c1 ZINC000061679360 171243030 /nfs/dbraw/zinc/24/30/30/171243030.db2.gz ZABYHZMUIXWNEE-SECBINFHSA-N 1 2 210.281 0.116 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352874952 171244796 /nfs/dbraw/zinc/24/47/96/171244796.db2.gz ITFRRXOGYUXJCU-HVFXKWQYSA-N 1 2 246.376 0.482 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352874952 171244797 /nfs/dbraw/zinc/24/47/97/171244797.db2.gz ITFRRXOGYUXJCU-HVFXKWQYSA-N 1 2 246.376 0.482 20 0 BCADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000665059275 412074819 /nfs/dbraw/zinc/07/48/19/412074819.db2.gz FKWZOQNTKSDQFT-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC000665059301 412075233 /nfs/dbraw/zinc/07/52/33/412075233.db2.gz GJNCBUIVAOAYEK-UHFFFAOYSA-N 1 2 234.303 0.217 20 0 BCADLO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000038014072 171322202 /nfs/dbraw/zinc/32/22/02/171322202.db2.gz LUCUMHGNHMFPMO-VIFPVBQESA-N 1 2 224.308 0.804 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000356508620 171325430 /nfs/dbraw/zinc/32/54/30/171325430.db2.gz ZXEQUOLYYHTADA-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@H]1C ZINC000356508620 171325432 /nfs/dbraw/zinc/32/54/32/171325432.db2.gz ZXEQUOLYYHTADA-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000305870842 171359332 /nfs/dbraw/zinc/35/93/32/171359332.db2.gz OKNMXMBLLCJCAJ-NWDGAFQWSA-N 1 2 242.363 0.805 20 0 BCADLO Cc1nccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000665106333 412096309 /nfs/dbraw/zinc/09/63/09/412096309.db2.gz MIAVFPOMBFZWSC-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2nncs2)CCO1 ZINC000572711159 412134900 /nfs/dbraw/zinc/13/49/00/412134900.db2.gz UPPQMQCGOFDBRG-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2nncs2)CCO1 ZINC000572711159 412134904 /nfs/dbraw/zinc/13/49/04/412134904.db2.gz UPPQMQCGOFDBRG-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@H](CO)CCCNc1cc(CO)cc[nH+]1 ZINC000641462822 412209094 /nfs/dbraw/zinc/20/90/94/412209094.db2.gz CTXSYMKUACSEOP-JTQLQIEISA-N 1 2 224.304 1.394 20 0 BCADLO CC[C@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269359957 171558962 /nfs/dbraw/zinc/55/89/62/171558962.db2.gz BTEVOHWFWOBVEN-QMMMGPOBSA-N 1 2 211.265 0.609 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cc(C2CC2)ncn1 ZINC000641678732 412255461 /nfs/dbraw/zinc/25/54/61/412255461.db2.gz SLWFMPSYYBXUSD-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cc(C2CC2)ncn1 ZINC000641678732 412255463 /nfs/dbraw/zinc/25/54/63/412255463.db2.gz SLWFMPSYYBXUSD-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BCADLO C[C@H](O)CNc1cc(NCC2COC2)[nH+]cn1 ZINC000528226383 412249679 /nfs/dbraw/zinc/24/96/79/412249679.db2.gz QASYIRDWYPOZIJ-QMMMGPOBSA-N 1 2 238.291 0.328 20 0 BCADLO C[C@H](O)CNc1cc(NCC2COC2)nc[nH+]1 ZINC000528226383 412249681 /nfs/dbraw/zinc/24/96/81/412249681.db2.gz QASYIRDWYPOZIJ-QMMMGPOBSA-N 1 2 238.291 0.328 20 0 BCADLO C[C@H]([C@H](C)Nc1nncs1)[NH+]1CCOCC1 ZINC000582341574 412250857 /nfs/dbraw/zinc/25/08/57/412250857.db2.gz WMOGKFHFHWHAQY-DTWKUNHWSA-N 1 2 242.348 1.059 20 0 BCADLO CC/C=C/CNc1nc[nH+]c(N)c1OC ZINC000576052375 412328183 /nfs/dbraw/zinc/32/81/83/412328183.db2.gz IYWOHAMSTRIRIV-SNAWJCMRSA-N 1 2 208.265 1.446 20 0 BCADLO CC/C=C/CNc1[nH+]cnc(N)c1OC ZINC000576052375 412328185 /nfs/dbraw/zinc/32/81/85/412328185.db2.gz IYWOHAMSTRIRIV-SNAWJCMRSA-N 1 2 208.265 1.446 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCCCO)c1 ZINC000596052027 412330612 /nfs/dbraw/zinc/33/06/12/412330612.db2.gz YOVNJDLLGDVEAA-UHFFFAOYSA-N 1 2 224.260 0.591 20 0 BCADLO COC(=O)[C@@H](C)CNc1nc(C)[nH+]cc1C ZINC000578668790 412334375 /nfs/dbraw/zinc/33/43/75/412334375.db2.gz PPNNFVUKPRSONR-QMMMGPOBSA-N 1 2 223.276 1.314 20 0 BCADLO Cc1cc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)no1 ZINC000334694899 412354608 /nfs/dbraw/zinc/35/46/08/412354608.db2.gz SKVKPBDRUMPCKF-HTQZYQBOSA-N 1 2 223.276 1.404 20 0 BCADLO O=C(Nc1cccnn1)c1ccc2[nH+]ccn2c1 ZINC000346055109 412362811 /nfs/dbraw/zinc/36/28/11/412362811.db2.gz LDMOYGQWBOAEPT-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BCADLO CCC[C@@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000383150531 412364145 /nfs/dbraw/zinc/36/41/45/412364145.db2.gz ZVNJIHHQTZMFQX-QMMMGPOBSA-N 1 2 240.307 1.294 20 0 BCADLO CCC[C@@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000383150531 412364148 /nfs/dbraw/zinc/36/41/48/412364148.db2.gz ZVNJIHHQTZMFQX-QMMMGPOBSA-N 1 2 240.307 1.294 20 0 BCADLO CCC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000343907148 412364529 /nfs/dbraw/zinc/36/45/29/412364529.db2.gz FNYWMWWBEAKWBD-SECBINFHSA-N 1 2 234.303 1.420 20 0 BCADLO Cc1c[nH]nc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364912653 412299082 /nfs/dbraw/zinc/29/90/82/412299082.db2.gz CKJKLJCUNKVVSL-SECBINFHSA-N 1 2 245.286 1.116 20 0 BCADLO Cc1cc(NC(=O)Nc2cc[nH]n2)c(C)c[nH+]1 ZINC000578003956 412301012 /nfs/dbraw/zinc/30/10/12/412301012.db2.gz OBDVPCDJEBLEOJ-UHFFFAOYSA-N 1 2 231.259 1.487 20 0 BCADLO CNc1nc(N(C)[C@H](C)CO)[nH+]c2ccccc21 ZINC000450407069 412304389 /nfs/dbraw/zinc/30/43/89/412304389.db2.gz RMPYXOWFGYMVSR-SECBINFHSA-N 1 2 246.314 1.489 20 0 BCADLO CNc1nc(N2CC(O)C2)[nH+]c2ccccc21 ZINC000450299949 412304551 /nfs/dbraw/zinc/30/45/51/412304551.db2.gz BVWLHXICZMHNQE-UHFFFAOYSA-N 1 2 230.271 0.852 20 0 BCADLO CNc1nc(N2CC[C@H](O)C2)[nH+]c2ccccc21 ZINC000450311625 412305030 /nfs/dbraw/zinc/30/50/30/412305030.db2.gz DRKBAEADNRHUND-VIFPVBQESA-N 1 2 244.298 1.243 20 0 BCADLO Cc1cc(NC(=O)NCc2c[nH+]cn2C)nn1C ZINC000584416147 412372305 /nfs/dbraw/zinc/37/23/05/412372305.db2.gz ONJYSUMYJPCBNA-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1COC1 ZINC000309965702 172014219 /nfs/dbraw/zinc/01/42/19/172014219.db2.gz NJEZGPULJCQTMB-SECBINFHSA-N 1 2 222.292 0.664 20 0 BCADLO CCc1nnc(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000228442402 172046291 /nfs/dbraw/zinc/04/62/91/172046291.db2.gz YWHWVVSZBWMJJX-UHFFFAOYSA-N 1 2 248.330 0.735 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@@H](C)O)o1 ZINC000128422419 172048411 /nfs/dbraw/zinc/04/84/11/172048411.db2.gz IQCNEDISCNUPAM-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@@H](C)O)o1 ZINC000128422419 172048413 /nfs/dbraw/zinc/04/84/13/172048413.db2.gz IQCNEDISCNUPAM-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H](CC)CO)o1 ZINC000345821863 172049125 /nfs/dbraw/zinc/04/91/25/172049125.db2.gz ABZCHOADCYCANF-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H](CC)CO)o1 ZINC000345821863 172049126 /nfs/dbraw/zinc/04/91/26/172049126.db2.gz ABZCHOADCYCANF-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+]2CCc3n[nH]cc3C2)n1C ZINC000328649192 172049874 /nfs/dbraw/zinc/04/98/74/172049874.db2.gz IPVDFVDTERWTBQ-UHFFFAOYSA-N 1 2 246.318 0.659 20 0 BCADLO CCc1nnc(C[N@H+]2CCc3n[nH]cc3C2)n1C ZINC000328649192 172049877 /nfs/dbraw/zinc/04/98/77/172049877.db2.gz IPVDFVDTERWTBQ-UHFFFAOYSA-N 1 2 246.318 0.659 20 0 BCADLO CCc1noc(NCc2c[nH+]cn2C)n1 ZINC000292884941 172089015 /nfs/dbraw/zinc/08/90/15/172089015.db2.gz ZGYYGPJCIYEXTI-UHFFFAOYSA-N 1 2 207.237 0.978 20 0 BCADLO CCc1noc([C@H](C)[N@H+](C)CCOCCO)n1 ZINC000337422322 172090090 /nfs/dbraw/zinc/09/00/90/172090090.db2.gz BSKXAZUCZPWSAY-VIFPVBQESA-N 1 2 243.307 0.634 20 0 BCADLO CCc1noc([C@H](C)[N@@H+](C)CCOCCO)n1 ZINC000337422322 172090092 /nfs/dbraw/zinc/09/00/92/172090092.db2.gz BSKXAZUCZPWSAY-VIFPVBQESA-N 1 2 243.307 0.634 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000339605960 172095734 /nfs/dbraw/zinc/09/57/34/172095734.db2.gz NJKVBHDLPUYBRN-NSHDSACASA-N 1 2 237.303 0.900 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000339605960 172095736 /nfs/dbraw/zinc/09/57/36/172095736.db2.gz NJKVBHDLPUYBRN-NSHDSACASA-N 1 2 237.303 0.900 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000293467906 172096079 /nfs/dbraw/zinc/09/60/79/172096079.db2.gz QREIHVHJDHWJDF-SNVBAGLBSA-N 1 2 223.276 0.557 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000293467906 172096080 /nfs/dbraw/zinc/09/60/80/172096080.db2.gz QREIHVHJDHWJDF-SNVBAGLBSA-N 1 2 223.276 0.557 20 0 BCADLO CCn1cc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000265097687 172155058 /nfs/dbraw/zinc/15/50/58/172155058.db2.gz GAPZLLGJZZBEGK-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCn1cc(CC[N@H+]2CC(=O)N[C@H](C)C2)cn1 ZINC000296330826 172157649 /nfs/dbraw/zinc/15/76/49/172157649.db2.gz UUFISHODQXUXLZ-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@@H+]2CC(=O)N[C@H](C)C2)cn1 ZINC000296330826 172157650 /nfs/dbraw/zinc/15/76/50/172157650.db2.gz UUFISHODQXUXLZ-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000368327448 172161071 /nfs/dbraw/zinc/16/10/71/172161071.db2.gz FYNNJTITVGTBBH-NWDGAFQWSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1cc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000368327448 172161074 /nfs/dbraw/zinc/16/10/74/172161074.db2.gz FYNNJTITVGTBBH-NWDGAFQWSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3c(C)nnc3C2)cn1 ZINC000371371647 172165862 /nfs/dbraw/zinc/16/58/62/172165862.db2.gz CRFIZMQTVBXAFH-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc(C[N@H+]2CCn3c(C)nnc3C2)cn1 ZINC000371371647 172165865 /nfs/dbraw/zinc/16/58/65/172165865.db2.gz CRFIZMQTVBXAFH-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338968142 172166531 /nfs/dbraw/zinc/16/65/31/172166531.db2.gz LIZPENWHIPRRSJ-TXEJJXNPSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338968142 172166533 /nfs/dbraw/zinc/16/65/33/172166533.db2.gz LIZPENWHIPRRSJ-TXEJJXNPSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)CN(C)C1=O ZINC000336669050 172219075 /nfs/dbraw/zinc/21/90/75/172219075.db2.gz HSVOGDNUWROEQY-UHFFFAOYSA-N 1 2 222.248 0.297 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@@H]2C[C@@H]21 ZINC000368326179 172220970 /nfs/dbraw/zinc/22/09/70/172220970.db2.gz CJKILGUZYNUVJV-VHSXEESVSA-N 1 2 207.277 0.876 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@H](C)C(=O)OC ZINC000361173245 172221156 /nfs/dbraw/zinc/22/11/56/172221156.db2.gz DHOXHZUQKSUSJB-SECBINFHSA-N 1 2 225.292 0.896 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@@H]1CCN(C)C1=O ZINC000336722296 172221295 /nfs/dbraw/zinc/22/12/95/172221295.db2.gz ZXBQPUQNLWFDMC-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO CCn1nccc1CC[NH2+][C@]1(C)CCOC1=O ZINC000289600123 172261326 /nfs/dbraw/zinc/26/13/26/172261326.db2.gz QGGZJZFLMHOVGG-GFCCVEGCSA-N 1 2 237.303 0.741 20 0 BCADLO CCn1nccc1C[N@@H+]1CCNC(=O)CC1 ZINC000119217815 172265798 /nfs/dbraw/zinc/26/57/98/172265798.db2.gz WUIDLXVXLBFMAY-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCn1nccc1C[N@H+]1CCNC(=O)CC1 ZINC000119217815 172265800 /nfs/dbraw/zinc/26/58/00/172265800.db2.gz WUIDLXVXLBFMAY-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCn1nccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180481117 172267217 /nfs/dbraw/zinc/26/72/17/172267217.db2.gz PCOWWEHOTNNYQZ-NSHDSACASA-N 1 2 249.318 0.112 20 0 BCADLO CCn1nccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180481117 172267220 /nfs/dbraw/zinc/26/72/20/172267220.db2.gz PCOWWEHOTNNYQZ-NSHDSACASA-N 1 2 249.318 0.112 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967485 172269225 /nfs/dbraw/zinc/26/92/25/172269225.db2.gz SIDUXYCIQOKTCK-TXEJJXNPSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967485 172269227 /nfs/dbraw/zinc/26/92/27/172269227.db2.gz SIDUXYCIQOKTCK-TXEJJXNPSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1ncnc1CN(C)Cc1[nH+]ccn1C ZINC000331099236 172279018 /nfs/dbraw/zinc/27/90/18/172279018.db2.gz DXUFQWBDEBECLX-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369682560 172280060 /nfs/dbraw/zinc/28/00/60/172280060.db2.gz FOPOGFIYOFQHPW-SECBINFHSA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369682560 172280063 /nfs/dbraw/zinc/28/00/63/172280063.db2.gz FOPOGFIYOFQHPW-SECBINFHSA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H]1COC ZINC000339294366 172280643 /nfs/dbraw/zinc/28/06/43/172280643.db2.gz VQOIXENYBKEDKJ-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H]1COC ZINC000339294366 172280645 /nfs/dbraw/zinc/28/06/45/172280645.db2.gz VQOIXENYBKEDKJ-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO CCn1nncc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297103460 172289827 /nfs/dbraw/zinc/28/98/27/172289827.db2.gz NPNHJHWDJODRFA-UHFFFAOYSA-N 1 2 237.307 0.120 20 0 BCADLO CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000106512743 172320720 /nfs/dbraw/zinc/32/07/20/172320720.db2.gz JASAZTDRXNZABE-SNVBAGLBSA-N 1 2 238.291 0.313 20 0 BCADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cnn(C)c1 ZINC000334145305 172325289 /nfs/dbraw/zinc/32/52/89/172325289.db2.gz XSEBXCMGWSINJR-QMMMGPOBSA-N 1 2 244.245 0.380 20 0 BCADLO CN(C(=O)[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000083871926 172328377 /nfs/dbraw/zinc/32/83/77/172328377.db2.gz AZMPWISTWMQJJG-NSHDSACASA-N 1 2 220.272 0.638 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCOC1 ZINC000364948205 172334479 /nfs/dbraw/zinc/33/44/79/172334479.db2.gz JWNUBHGLIDJNLU-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000130276736 172369619 /nfs/dbraw/zinc/36/96/19/172369619.db2.gz XPSZAXGCPDCEGJ-UHFFFAOYSA-N 1 2 230.699 0.251 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000037207975 172369955 /nfs/dbraw/zinc/36/99/55/172369955.db2.gz YNNDCNWGNUWPFV-UHFFFAOYSA-N 1 2 230.699 0.251 20 0 BCADLO CN(CC(=O)N1CCOCC1)c1cccc[nH+]1 ZINC000298209711 172606059 /nfs/dbraw/zinc/60/60/59/172606059.db2.gz SZDGRUHDAMMZMP-UHFFFAOYSA-N 1 2 235.287 0.377 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000333204087 173048894 /nfs/dbraw/zinc/04/88/94/173048894.db2.gz AGPZWTXMXQVRAN-VIFPVBQESA-N 1 2 249.318 0.394 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000333204087 173048897 /nfs/dbraw/zinc/04/88/97/173048897.db2.gz AGPZWTXMXQVRAN-VIFPVBQESA-N 1 2 249.318 0.394 20 0 BCADLO C[NH+]1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000163487561 173070609 /nfs/dbraw/zinc/07/06/09/173070609.db2.gz ISICDEANNPZUQL-UHFFFAOYSA-N 1 2 238.262 0.919 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2ncccn2)C1 ZINC000225347328 173076562 /nfs/dbraw/zinc/07/65/62/173076562.db2.gz DEMJIOMXOFVQAZ-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2ncccn2)C1 ZINC000225347328 173076565 /nfs/dbraw/zinc/07/65/65/173076565.db2.gz DEMJIOMXOFVQAZ-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@H+](CCc2cccnc2)CC1=O ZINC000265815235 173081723 /nfs/dbraw/zinc/08/17/23/173081723.db2.gz GTECJZUBHHIPGH-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO CN1CC[N@@H+](CCc2cccnc2)CC1=O ZINC000265815235 173081725 /nfs/dbraw/zinc/08/17/25/173081725.db2.gz GTECJZUBHHIPGH-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO CN1CC[N@H+](CCc2ccncc2)CC1=O ZINC000119395449 173083128 /nfs/dbraw/zinc/08/31/28/173083128.db2.gz GJNPFSHMJMIDFN-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO CN1CC[N@@H+](CCc2ccncc2)CC1=O ZINC000119395449 173083131 /nfs/dbraw/zinc/08/31/31/173083131.db2.gz GJNPFSHMJMIDFN-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127408790 173089052 /nfs/dbraw/zinc/08/90/52/173089052.db2.gz KGMQZAVEXJRDHS-UHFFFAOYSA-N 1 2 207.277 0.299 20 0 BCADLO Cn1cccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127408790 173089054 /nfs/dbraw/zinc/08/90/54/173089054.db2.gz KGMQZAVEXJRDHS-UHFFFAOYSA-N 1 2 207.277 0.299 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ncnc3c2CCC3)C1 ZINC000069416266 173101580 /nfs/dbraw/zinc/10/15/80/173101580.db2.gz ZNGMTLYCMZOVEM-JTQLQIEISA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ncnc3c2CCC3)C1 ZINC000069416266 173101582 /nfs/dbraw/zinc/10/15/82/173101582.db2.gz ZNGMTLYCMZOVEM-JTQLQIEISA-N 1 2 248.330 0.708 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000284762836 173103014 /nfs/dbraw/zinc/10/30/14/173103014.db2.gz SCZNNHGRZFGIOX-VXGBXAGGSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000284762836 173103017 /nfs/dbraw/zinc/10/30/17/173103017.db2.gz SCZNNHGRZFGIOX-VXGBXAGGSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccncc2)C1 ZINC000272342209 173103199 /nfs/dbraw/zinc/10/31/99/173103199.db2.gz AQTROTALULHFJS-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccncc2)C1 ZINC000272342209 173103201 /nfs/dbraw/zinc/10/32/01/173103201.db2.gz AQTROTALULHFJS-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ncc(Cl)cn2)C1 ZINC000093537742 173103210 /nfs/dbraw/zinc/10/32/10/173103210.db2.gz YXCYJFAOZCVTCV-VIFPVBQESA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ncc(Cl)cn2)C1 ZINC000093537742 173103211 /nfs/dbraw/zinc/10/32/11/173103211.db2.gz YXCYJFAOZCVTCV-VIFPVBQESA-N 1 2 242.710 0.873 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccncc2)C1 ZINC000174449428 173106558 /nfs/dbraw/zinc/10/65/58/173106558.db2.gz HVZRGEFAJXZUQP-JTQLQIEISA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccncc2)C1 ZINC000174449428 173106561 /nfs/dbraw/zinc/10/65/61/173106561.db2.gz HVZRGEFAJXZUQP-JTQLQIEISA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC000331179975 173106655 /nfs/dbraw/zinc/10/66/55/173106655.db2.gz RCHXAEDMVKCYCA-SECBINFHSA-N 1 2 243.307 0.139 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC000331179975 173106656 /nfs/dbraw/zinc/10/66/56/173106656.db2.gz RCHXAEDMVKCYCA-SECBINFHSA-N 1 2 243.307 0.139 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCN(C)C1=O ZINC000283651016 173117717 /nfs/dbraw/zinc/11/77/17/173117717.db2.gz DAKGNSBJNTZANF-HMDXOVGESA-N 1 2 248.286 0.112 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000265647253 173118811 /nfs/dbraw/zinc/11/88/11/173118811.db2.gz MIAXNLGZSZWZJM-LLVKDONJSA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000265647253 173118814 /nfs/dbraw/zinc/11/88/14/173118814.db2.gz MIAXNLGZSZWZJM-LLVKDONJSA-N 1 2 219.288 0.744 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000172017910 173120505 /nfs/dbraw/zinc/12/05/05/173120505.db2.gz IDZISTQIXDFDDV-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000172017910 173120508 /nfs/dbraw/zinc/12/05/08/173120508.db2.gz IDZISTQIXDFDDV-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000116273556 173120620 /nfs/dbraw/zinc/12/06/20/173120620.db2.gz MGATXTPRSQQVIP-CMPLNLGQSA-N 1 2 248.330 0.820 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000116273556 173120622 /nfs/dbraw/zinc/12/06/22/173120622.db2.gz MGATXTPRSQQVIP-CMPLNLGQSA-N 1 2 248.330 0.820 20 0 BCADLO CN1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)C1=O ZINC000172624355 173125145 /nfs/dbraw/zinc/12/51/45/173125145.db2.gz SKVLCNVIVCFLAC-MNOVXSKESA-N 1 2 247.298 0.033 20 0 BCADLO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)C1=O ZINC000172624361 173155406 /nfs/dbraw/zinc/15/54/06/173155406.db2.gz SKVLCNVIVCFLAC-WDEREUQCSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@@H+]1CCc2ncnc(N[C@H]3CC[C@@H](O)C3)c2C1 ZINC000368620027 173174477 /nfs/dbraw/zinc/17/44/77/173174477.db2.gz VQSSASXKMRIEMD-VHSXEESVSA-N 1 2 248.330 0.790 20 0 BCADLO C[N@H+]1CCc2ncnc(N[C@H]3CC[C@@H](O)C3)c2C1 ZINC000368620027 173174480 /nfs/dbraw/zinc/17/44/80/173174480.db2.gz VQSSASXKMRIEMD-VHSXEESVSA-N 1 2 248.330 0.790 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CCCO3)c2C1 ZINC000273277856 173174858 /nfs/dbraw/zinc/17/48/58/173174858.db2.gz IPVFNDCGMRQJLO-UHFFFAOYSA-N 1 2 220.276 0.606 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CCCO3)c2C1 ZINC000273277856 173174860 /nfs/dbraw/zinc/17/48/60/173174860.db2.gz IPVFNDCGMRQJLO-UHFFFAOYSA-N 1 2 220.276 0.606 20 0 BCADLO CN1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000237149719 173182277 /nfs/dbraw/zinc/18/22/77/173182277.db2.gz VAICWRUSJPQWQN-ZETCQYMHSA-N 1 2 234.259 0.081 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000274540270 173226951 /nfs/dbraw/zinc/22/69/51/173226951.db2.gz UFHMFUZWJVDARN-UHFFFAOYSA-N 1 2 239.706 0.913 20 0 BCADLO CNC(=O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000355375636 173232229 /nfs/dbraw/zinc/23/22/29/173232229.db2.gz FPKYGFZKIBDOGS-UHFFFAOYSA-N 1 2 246.270 0.087 20 0 BCADLO CNC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000365024102 173251597 /nfs/dbraw/zinc/25/15/97/173251597.db2.gz YLFDFCOLOKWCQL-SECBINFHSA-N 1 2 237.307 0.468 20 0 BCADLO CNC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000365024102 173251598 /nfs/dbraw/zinc/25/15/98/173251598.db2.gz YLFDFCOLOKWCQL-SECBINFHSA-N 1 2 237.307 0.468 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@H](O)c1ccccc1F ZINC000298488679 173267302 /nfs/dbraw/zinc/26/73/02/173267302.db2.gz LRKIBKAYJJCSNM-NSHDSACASA-N 1 2 240.278 0.537 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000298488679 173267305 /nfs/dbraw/zinc/26/73/05/173267305.db2.gz LRKIBKAYJJCSNM-NSHDSACASA-N 1 2 240.278 0.537 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(F)cn1 ZINC000276414497 173270364 /nfs/dbraw/zinc/27/03/64/173270364.db2.gz WHPPYMILUNJAEN-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276414497 173270365 /nfs/dbraw/zinc/27/03/65/173270365.db2.gz WHPPYMILUNJAEN-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)cn1 ZINC000271781274 173271029 /nfs/dbraw/zinc/27/10/29/173271029.db2.gz GUCNOQKWCNFSFZ-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)cn1 ZINC000271781274 173271032 /nfs/dbraw/zinc/27/10/32/173271032.db2.gz GUCNOQKWCNFSFZ-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000132765849 173272930 /nfs/dbraw/zinc/27/29/30/173272930.db2.gz LTIARQABWWVTQD-UHFFFAOYSA-N 1 2 240.303 0.782 20 0 BCADLO CNC(=O)C[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000132765849 173272931 /nfs/dbraw/zinc/27/29/31/173272931.db2.gz LTIARQABWWVTQD-UHFFFAOYSA-N 1 2 240.303 0.782 20 0 BCADLO CNC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054347208 173273070 /nfs/dbraw/zinc/27/30/70/173273070.db2.gz RABCHLXKOYOEQK-UHFFFAOYSA-N 1 2 238.291 0.303 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181560437 173274831 /nfs/dbraw/zinc/27/48/31/173274831.db2.gz XMFIQGSKZGRQFN-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181560437 173274832 /nfs/dbraw/zinc/27/48/32/173274832.db2.gz XMFIQGSKZGRQFN-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO CNC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000309403746 173277818 /nfs/dbraw/zinc/27/78/18/173277818.db2.gz ALDHVZMLLOIZQN-VIFPVBQESA-N 1 2 226.276 0.611 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000358288764 173282824 /nfs/dbraw/zinc/28/28/24/173282824.db2.gz OHUVEHZWMSBIQW-SDDRHHMPSA-N 1 2 241.379 0.829 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000358288764 173282825 /nfs/dbraw/zinc/28/28/25/173282825.db2.gz OHUVEHZWMSBIQW-SDDRHHMPSA-N 1 2 241.379 0.829 20 0 BCADLO CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000080564233 173291281 /nfs/dbraw/zinc/29/12/81/173291281.db2.gz MPOWHSPMWFYFLL-UHFFFAOYSA-N 1 2 210.281 0.968 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]cn1 ZINC000301496376 173294380 /nfs/dbraw/zinc/29/43/80/173294380.db2.gz TYPIXPGNFFNDMH-QMMMGPOBSA-N 1 2 222.292 0.603 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121511812 173294623 /nfs/dbraw/zinc/29/46/23/173294623.db2.gz NEAXFELHQGKHDH-MRVPVSSYSA-N 1 2 236.275 0.646 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292422933 173298329 /nfs/dbraw/zinc/29/83/29/173298329.db2.gz LGACHCSBTMUSNC-SECBINFHSA-N 1 2 237.307 0.071 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292422933 173298330 /nfs/dbraw/zinc/29/83/30/173298330.db2.gz LGACHCSBTMUSNC-SECBINFHSA-N 1 2 237.307 0.071 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC000330462670 173298646 /nfs/dbraw/zinc/29/86/46/173298646.db2.gz MQNQORHANTYHLB-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC000330462670 173298647 /nfs/dbraw/zinc/29/86/47/173298647.db2.gz MQNQORHANTYHLB-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000267217425 173298723 /nfs/dbraw/zinc/29/87/23/173298723.db2.gz NAHJVLFVQDSRMU-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)nc1 ZINC000267217425 173298724 /nfs/dbraw/zinc/29/87/24/173298724.db2.gz NAHJVLFVQDSRMU-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncn1C ZINC000177268365 173298839 /nfs/dbraw/zinc/29/88/39/173298839.db2.gz MYPMLEJDENSPMI-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cncn1C ZINC000177268365 173298840 /nfs/dbraw/zinc/29/88/40/173298840.db2.gz MYPMLEJDENSPMI-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC000291995281 173298934 /nfs/dbraw/zinc/29/89/34/173298934.db2.gz AVQPRMGIVCULQL-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC000291995281 173298935 /nfs/dbraw/zinc/29/89/35/173298935.db2.gz AVQPRMGIVCULQL-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000092099299 173299137 /nfs/dbraw/zinc/29/91/37/173299137.db2.gz CEQUEFLUYUVGCA-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC000092099299 173299138 /nfs/dbraw/zinc/29/91/38/173299138.db2.gz CEQUEFLUYUVGCA-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000182445201 173300267 /nfs/dbraw/zinc/30/02/67/173300267.db2.gz OBCHSKJABFTJOM-JTQLQIEISA-N 1 2 240.328 0.695 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000182445201 173300268 /nfs/dbraw/zinc/30/02/68/173300268.db2.gz OBCHSKJABFTJOM-JTQLQIEISA-N 1 2 240.328 0.695 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000359628660 173300511 /nfs/dbraw/zinc/30/05/11/173300511.db2.gz AVKOGIIJNAQPNC-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000359628660 173300512 /nfs/dbraw/zinc/30/05/12/173300512.db2.gz AVKOGIIJNAQPNC-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289894537 173301553 /nfs/dbraw/zinc/30/15/53/173301553.db2.gz MRBOGFSEWKUEJO-SFYZADRCSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289894537 173301554 /nfs/dbraw/zinc/30/15/54/173301554.db2.gz MRBOGFSEWKUEJO-SFYZADRCSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000291640026 173302551 /nfs/dbraw/zinc/30/25/51/173302551.db2.gz BLESPJHECDDLLE-LURJTMIESA-N 1 2 230.699 0.298 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000042563091 173302868 /nfs/dbraw/zinc/30/28/68/173302868.db2.gz LYKMXUUAHGUXTR-LURJTMIESA-N 1 2 230.699 0.298 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1ncc(COC)s1 ZINC000309654179 173303226 /nfs/dbraw/zinc/30/32/26/173303226.db2.gz PCGMOCAPNDNNTI-ZETCQYMHSA-N 1 2 243.332 0.514 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292422937 173306696 /nfs/dbraw/zinc/30/66/96/173306696.db2.gz LGACHCSBTMUSNC-VIFPVBQESA-N 1 2 237.307 0.071 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292422937 173306697 /nfs/dbraw/zinc/30/66/97/173306697.db2.gz LGACHCSBTMUSNC-VIFPVBQESA-N 1 2 237.307 0.071 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nonc1C ZINC000265149675 173306905 /nfs/dbraw/zinc/30/69/05/173306905.db2.gz SMDMVFIOINJUBT-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nonc1C ZINC000265149675 173306906 /nfs/dbraw/zinc/30/69/06/173306906.db2.gz SMDMVFIOINJUBT-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1conc1C ZINC000295509659 173306908 /nfs/dbraw/zinc/30/69/08/173306908.db2.gz YZTFRUVWTZUHRG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1conc1C ZINC000295509659 173306909 /nfs/dbraw/zinc/30/69/09/173306909.db2.gz YZTFRUVWTZUHRG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000077269462 173307187 /nfs/dbraw/zinc/30/71/87/173307187.db2.gz MOGCIVFCAHBACF-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000077269462 173307188 /nfs/dbraw/zinc/30/71/88/173307188.db2.gz MOGCIVFCAHBACF-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000264759045 173307347 /nfs/dbraw/zinc/30/73/47/173307347.db2.gz YLXMGLFWLWUOLQ-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccno1 ZINC000264759045 173307348 /nfs/dbraw/zinc/30/73/48/173307348.db2.gz YLXMGLFWLWUOLQ-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000271768175 173307479 /nfs/dbraw/zinc/30/74/79/173307479.db2.gz DSKSLFSIXWYINZ-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)cn1 ZINC000271768175 173307480 /nfs/dbraw/zinc/30/74/80/173307480.db2.gz DSKSLFSIXWYINZ-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276419340 173307492 /nfs/dbraw/zinc/30/74/92/173307492.db2.gz WZSZZKPCKZKDOD-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000276419340 173307493 /nfs/dbraw/zinc/30/74/93/173307493.db2.gz WZSZZKPCKZKDOD-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000248419660 173308311 /nfs/dbraw/zinc/30/83/11/173308311.db2.gz LDWACFGPUHDERC-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000248419660 173308312 /nfs/dbraw/zinc/30/83/12/173308312.db2.gz LDWACFGPUHDERC-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000308579776 173692300 /nfs/dbraw/zinc/69/23/00/173692300.db2.gz GAXZPOSWCCMITF-RKDXNWHRSA-N 1 2 203.282 0.951 20 0 BCADLO COC(=O)[C@H]([NH2+]CC(C)(C)C(=O)OC)C1CC1 ZINC000303549782 173803000 /nfs/dbraw/zinc/80/30/00/173803000.db2.gz HWULPLIDUHOLQS-SECBINFHSA-N 1 2 243.303 0.727 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CCSC1)[C@@H](C)O ZINC000336761307 173804239 /nfs/dbraw/zinc/80/42/39/173804239.db2.gz MRBXRMTVLILBTQ-IWSPIJDZSA-N 1 2 233.333 0.252 20 0 BCADLO COC(=O)c1cn(Cc2[nH+]ccn2C)c(C)n1 ZINC000357084658 173905330 /nfs/dbraw/zinc/90/53/30/173905330.db2.gz MENNFIWZEJJFBC-UHFFFAOYSA-N 1 2 234.259 0.760 20 0 BCADLO COC1C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000307935519 174034318 /nfs/dbraw/zinc/03/43/18/174034318.db2.gz KWYSDSGQWQIBFS-ZCFIWIBFSA-N 1 2 213.199 0.630 20 0 BCADLO COC1C[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000336524149 174034388 /nfs/dbraw/zinc/03/43/88/174034388.db2.gz MDJNSIPBRUDGJN-UHFFFAOYSA-N 1 2 209.293 0.868 20 0 BCADLO COC1C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000357893491 174034943 /nfs/dbraw/zinc/03/49/43/174034943.db2.gz NRIMXVBDCIDCRF-UHFFFAOYSA-N 1 2 220.272 0.616 20 0 BCADLO COCC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000047995541 174042900 /nfs/dbraw/zinc/04/29/00/174042900.db2.gz RTFHSUWFWZAAED-NSCUHMNNSA-N 1 2 232.711 0.530 20 0 BCADLO COCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122976682 174044561 /nfs/dbraw/zinc/04/45/61/174044561.db2.gz PJARSKOUCOBVJM-WDEREUQCSA-N 1 2 237.303 0.939 20 0 BCADLO COCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377501974 174054515 /nfs/dbraw/zinc/05/45/15/174054515.db2.gz KMDPJYQTDDXOCN-SECBINFHSA-N 1 2 223.276 0.269 20 0 BCADLO COCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336340809 174061447 /nfs/dbraw/zinc/06/14/47/174061447.db2.gz PEXHJCLRSVXWTC-UHFFFAOYSA-N 1 2 205.217 0.919 20 0 BCADLO COCC(C)(C)C[NH2+][C@H](C)C(=O)OC ZINC000336667297 174074105 /nfs/dbraw/zinc/07/41/05/174074105.db2.gz WENQVJMBFIQFTI-MRVPVSSYSA-N 1 2 203.282 0.810 20 0 BCADLO COCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331070500 174080471 /nfs/dbraw/zinc/08/04/71/174080471.db2.gz SOTTZDNAZDWOSV-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331070500 174080474 /nfs/dbraw/zinc/08/04/74/174080474.db2.gz SOTTZDNAZDWOSV-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000331619311 174089915 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/nfs/dbraw/zinc/11/70/74/174117074.db2.gz RDHYDZINCDXRAX-UHFFFAOYSA-N 1 2 222.292 0.892 20 0 BCADLO COCC1=CC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000293244028 174117077 /nfs/dbraw/zinc/11/70/77/174117077.db2.gz RDHYDZINCDXRAX-UHFFFAOYSA-N 1 2 222.292 0.892 20 0 BCADLO COCCC[N@H+](CCOC)CC(=O)OC ZINC000042267403 174223979 /nfs/dbraw/zinc/22/39/79/174223979.db2.gz FKRVZYHPPWUJIA-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO COCCC[N@@H+](CCOC)CC(=O)OC ZINC000042267403 174223982 /nfs/dbraw/zinc/22/39/82/174223982.db2.gz FKRVZYHPPWUJIA-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO COCCC[N@H+](CCO)Cc1ncccn1 ZINC000361848811 174225099 /nfs/dbraw/zinc/22/50/99/174225099.db2.gz KPSNWUNBQRZHKM-UHFFFAOYSA-N 1 2 225.292 0.307 20 0 BCADLO COCCC[N@@H+](CCO)Cc1ncccn1 ZINC000361848811 174225103 /nfs/dbraw/zinc/22/51/03/174225103.db2.gz KPSNWUNBQRZHKM-UHFFFAOYSA-N 1 2 225.292 0.307 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000073872218 174239225 /nfs/dbraw/zinc/23/92/25/174239225.db2.gz BHUXMVSUNQZAPX-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000073872218 174239226 /nfs/dbraw/zinc/23/92/26/174239226.db2.gz BHUXMVSUNQZAPX-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364829191 174239307 /nfs/dbraw/zinc/23/93/07/174239307.db2.gz UXENGOIVPPIQAB-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO COCCCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364829191 174239309 /nfs/dbraw/zinc/23/93/09/174239309.db2.gz UXENGOIVPPIQAB-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO COCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368460144 174243755 /nfs/dbraw/zinc/24/37/55/174243755.db2.gz ZOEFCRHXZLFDSY-SECBINFHSA-N 1 2 237.303 0.982 20 0 BCADLO COCCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000368460144 174243756 /nfs/dbraw/zinc/24/37/56/174243756.db2.gz ZOEFCRHXZLFDSY-SECBINFHSA-N 1 2 237.303 0.982 20 0 BCADLO COCCCOC1CC[NH+](CC(=O)OC)CC1 ZINC000122638996 174252987 /nfs/dbraw/zinc/25/29/87/174252987.db2.gz DFLGVUCTAZDENX-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO COCCCOCC[N@H+](C)Cc1ncc[nH]1 ZINC000091101690 174255238 /nfs/dbraw/zinc/25/52/38/174255238.db2.gz WKPMXQDQQWQKAR-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1ncc[nH]1 ZINC000091101690 174255240 /nfs/dbraw/zinc/25/52/40/174255240.db2.gz WKPMXQDQQWQKAR-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000339091348 174270480 /nfs/dbraw/zinc/27/04/80/174270480.db2.gz MFYGFDZXCFIUKF-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO COCC[N@H+](C)CC(=O)c1cccn1C ZINC000042340793 174275618 /nfs/dbraw/zinc/27/56/18/174275618.db2.gz RZOIUQKOUVAQNA-UHFFFAOYSA-N 1 2 210.277 0.786 20 0 BCADLO COCC[N@@H+](C)CC(=O)c1cccn1C ZINC000042340793 174275620 /nfs/dbraw/zinc/27/56/20/174275620.db2.gz RZOIUQKOUVAQNA-UHFFFAOYSA-N 1 2 210.277 0.786 20 0 BCADLO COCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000336681641 174281560 /nfs/dbraw/zinc/28/15/60/174281560.db2.gz RCEAWGYQRZPHTD-MRVPVSSYSA-N 1 2 229.280 0.855 20 0 BCADLO COCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000336681641 174281562 /nfs/dbraw/zinc/28/15/62/174281562.db2.gz RCEAWGYQRZPHTD-MRVPVSSYSA-N 1 2 229.280 0.855 20 0 BCADLO COCCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278417720 174283361 /nfs/dbraw/zinc/28/33/61/174283361.db2.gz OLCAMKBAFALZEC-UHFFFAOYSA-N 1 2 236.279 0.028 20 0 BCADLO COCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000109768309 174285347 /nfs/dbraw/zinc/28/53/47/174285347.db2.gz SYXJYTKSKDGZOY-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO COCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000109768309 174285349 /nfs/dbraw/zinc/28/53/49/174285349.db2.gz SYXJYTKSKDGZOY-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO COCC[N@H+](C/C=C/Cl)[C@@H](C)C(N)=O ZINC000106314106 174285376 /nfs/dbraw/zinc/28/53/76/174285376.db2.gz BUMKJCIDYSJKLZ-RTMURIBGSA-N 1 2 220.700 0.561 20 0 BCADLO COCC[N@@H+](C/C=C/Cl)[C@@H](C)C(N)=O ZINC000106314106 174285378 /nfs/dbraw/zinc/28/53/78/174285378.db2.gz BUMKJCIDYSJKLZ-RTMURIBGSA-N 1 2 220.700 0.561 20 0 BCADLO COCC[N@H+](CCO)Cc1ccon1 ZINC000265839085 174294544 /nfs/dbraw/zinc/29/45/44/174294544.db2.gz NACZZWQSSQCYFZ-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO COCC[N@H+](Cc1cccn1C)[C@H](C)C(N)=O ZINC000093139565 174298634 /nfs/dbraw/zinc/29/86/34/174298634.db2.gz VLRSHKKQVXETIT-SNVBAGLBSA-N 1 2 239.319 0.347 20 0 BCADLO COCC[N@@H+](Cc1cccn1C)[C@H](C)C(N)=O ZINC000093139565 174298636 /nfs/dbraw/zinc/29/86/36/174298636.db2.gz VLRSHKKQVXETIT-SNVBAGLBSA-N 1 2 239.319 0.347 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000194614595 174309175 /nfs/dbraw/zinc/30/91/75/174309175.db2.gz XEIMRBDOTMGTCH-UHFFFAOYSA-N 1 2 237.303 0.419 20 0 BCADLO COCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000306752086 174315488 /nfs/dbraw/zinc/31/54/88/174315488.db2.gz IKNXPSJAQISTSH-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO COCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000306752086 174315490 /nfs/dbraw/zinc/31/54/90/174315490.db2.gz IKNXPSJAQISTSH-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO COCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363078504 174327574 /nfs/dbraw/zinc/32/75/74/174327574.db2.gz UMSDWJRGJSXWHY-VIFPVBQESA-N 1 2 223.276 0.208 20 0 BCADLO COCCOC1C[NH+](C[C@@H](O)COC(C)C)C1 ZINC000336676162 174344361 /nfs/dbraw/zinc/34/43/61/174344361.db2.gz AOLSCRLAOFUCRB-LLVKDONJSA-N 1 2 247.335 0.120 20 0 BCADLO COCCOCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370203991 174355547 /nfs/dbraw/zinc/35/55/47/174355547.db2.gz MAQWUSIGFIWKAW-BZNIZROVSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370203991 174355550 /nfs/dbraw/zinc/35/55/50/174355550.db2.gz MAQWUSIGFIWKAW-BZNIZROVSA-N 1 2 249.376 0.492 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000189652384 174366044 /nfs/dbraw/zinc/36/60/44/174366044.db2.gz DRFDDRVAOMYRMT-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000189652384 174366047 /nfs/dbraw/zinc/36/60/47/174366047.db2.gz DRFDDRVAOMYRMT-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279545929 174379901 /nfs/dbraw/zinc/37/99/01/174379901.db2.gz XFCODHPKEQSWFX-MRVPVSSYSA-N 1 2 225.292 0.802 20 0 BCADLO COCC[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000300914048 174389890 /nfs/dbraw/zinc/38/98/90/174389890.db2.gz SIUWFTHBXRDGAG-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO COCC[C@@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000309949076 174395329 /nfs/dbraw/zinc/39/53/29/174395329.db2.gz FILJTSDXUUVDBH-MRVPVSSYSA-N 1 2 224.264 0.087 20 0 BCADLO COCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264710388 174405494 /nfs/dbraw/zinc/40/54/94/174405494.db2.gz DKKWSSLMGAXGMU-ZETCQYMHSA-N 1 2 211.265 0.873 20 0 BCADLO COC[C@H](CC(C)C)[NH2+]Cc1ncn(C)n1 ZINC000336755886 174561353 /nfs/dbraw/zinc/56/13/53/174561353.db2.gz GRPNFEMEWRPVGX-JTQLQIEISA-N 1 2 226.324 0.966 20 0 BCADLO COc1ccc(C[N@H+](CC(N)=O)C(C)C)nc1 ZINC000272138746 175097854 /nfs/dbraw/zinc/09/78/54/175097854.db2.gz UNBKUWZYSHNJLI-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ccc(C[N@@H+](CC(N)=O)C(C)C)nc1 ZINC000272138746 175097856 /nfs/dbraw/zinc/09/78/56/175097856.db2.gz UNBKUWZYSHNJLI-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000172188985 175257902 /nfs/dbraw/zinc/25/79/02/175257902.db2.gz UQWFXFNPUGAHGM-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1cccc(C[N@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000172188985 175257904 /nfs/dbraw/zinc/25/79/04/175257904.db2.gz UQWFXFNPUGAHGM-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccccc1C[NH+]1CCN(C(N)=O)CC1 ZINC000076546259 175328152 /nfs/dbraw/zinc/32/81/52/175328152.db2.gz GUPLWVHPOLWDCR-UHFFFAOYSA-N 1 2 249.314 0.892 20 0 BCADLO COc1ccccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000168594791 175328320 /nfs/dbraw/zinc/32/83/20/175328320.db2.gz NICTZCQGIZDOGF-LBPRGKRZSA-N 1 2 237.299 0.888 20 0 BCADLO COc1ccccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000168594791 175328322 /nfs/dbraw/zinc/32/83/22/175328322.db2.gz NICTZCQGIZDOGF-LBPRGKRZSA-N 1 2 237.299 0.888 20 0 BCADLO COc1ccccc1[C@H](C)[NH2+]Cc1nc(=O)[nH][nH]1 ZINC000271732770 175352431 /nfs/dbraw/zinc/35/24/31/175352431.db2.gz UMKDGQILQIHYTB-QMMMGPOBSA-N 1 2 248.286 0.957 20 0 BCADLO COc1cc[nH+]c(CN(C)Cc2nc[nH]n2)c1 ZINC000267570411 175357721 /nfs/dbraw/zinc/35/77/21/175357721.db2.gz DDZKDMVNBJLJFG-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N[C@@H](C)C2)c1 ZINC000296256400 175357880 /nfs/dbraw/zinc/35/78/80/175357880.db2.gz PQQRAIAUSGQDCO-VIFPVBQESA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccnc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000122220254 175366451 /nfs/dbraw/zinc/36/64/51/175366451.db2.gz YMDHKPXMXVXSPD-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000122220254 175366453 /nfs/dbraw/zinc/36/64/53/175366453.db2.gz YMDHKPXMXVXSPD-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc[nH+]cc1CSc1nnnn1C ZINC000286643410 175372725 /nfs/dbraw/zinc/37/27/25/175372725.db2.gz QMLVSVCCLFMBDF-UHFFFAOYSA-N 1 2 237.288 0.906 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1cn(C)nn1 ZINC000289218396 175373495 /nfs/dbraw/zinc/37/34/95/175373495.db2.gz LBADYZNPQKTZKA-UHFFFAOYSA-N 1 2 248.242 0.576 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)C1CC1 ZINC000128909992 175374543 /nfs/dbraw/zinc/37/45/43/175374543.db2.gz VQXUEMWUEMLZLL-UHFFFAOYSA-N 1 2 249.270 0.650 20 0 BCADLO COc1cc[nH+]cc1Cn1ncccc1=O ZINC000341298866 175374555 /nfs/dbraw/zinc/37/45/55/175374555.db2.gz ZPJVHYMFZSODBS-UHFFFAOYSA-N 1 2 217.228 0.695 20 0 BCADLO COc1cc[nH+]cc1Cn1nccc1C(N)=O ZINC000341387500 175374806 /nfs/dbraw/zinc/37/48/06/175374806.db2.gz IVZAMNPGKYOHER-UHFFFAOYSA-N 1 2 232.243 0.434 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000076098306 175375203 /nfs/dbraw/zinc/37/52/03/175375203.db2.gz XAESXZQGFOGCIP-SFYZADRCSA-N 1 2 249.270 0.553 20 0 BCADLO COc1cc[nH+]cc1NCc1cnn(C)n1 ZINC000293351647 175376068 /nfs/dbraw/zinc/37/60/68/175376068.db2.gz TYLHPHULJXHDQX-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO C[C@@H](C(=O)NC1CC(F)(F)C1)[NH+]1CCOCC1 ZINC000335906995 175609700 /nfs/dbraw/zinc/60/97/00/175609700.db2.gz DPMDYNYLUPTVAN-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@H](Oc1cccnc1)C(=O)N1CC[NH+](C)CC1 ZINC000265589532 176006413 /nfs/dbraw/zinc/00/64/13/176006413.db2.gz RHRWWKDPAAMFIX-LLVKDONJSA-N 1 2 249.314 0.623 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246375156 176028036 /nfs/dbraw/zinc/02/80/36/176028036.db2.gz OGXVEASERDESAB-GXSJLCMTSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246375156 176028037 /nfs/dbraw/zinc/02/80/37/176028037.db2.gz OGXVEASERDESAB-GXSJLCMTSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000265858653 176030401 /nfs/dbraw/zinc/03/04/01/176030401.db2.gz RMRLDNLEKKAYEE-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCN(C)C(=O)C1 ZINC000265858653 176030402 /nfs/dbraw/zinc/03/04/02/176030402.db2.gz RMRLDNLEKKAYEE-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO C[C@@H](c1ccco1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330746812 176032279 /nfs/dbraw/zinc/03/22/79/176032279.db2.gz WQFMUXAHFSZHBE-QMMMGPOBSA-N 1 2 236.275 0.894 20 0 BCADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330746812 176032281 /nfs/dbraw/zinc/03/22/81/176032281.db2.gz WQFMUXAHFSZHBE-QMMMGPOBSA-N 1 2 236.275 0.894 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000276220347 176040489 /nfs/dbraw/zinc/04/04/89/176040489.db2.gz LYESUMLSYQMPFG-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2n[nH]cc2C1 ZINC000276220347 176040490 /nfs/dbraw/zinc/04/04/90/176040490.db2.gz LYESUMLSYQMPFG-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCCOCC1 ZINC000372812955 176040915 /nfs/dbraw/zinc/04/09/15/176040915.db2.gz RJDNXGDHPMIANM-VIFPVBQESA-N 1 2 237.307 0.791 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCCOCC1 ZINC000372812955 176040917 /nfs/dbraw/zinc/04/09/17/176040917.db2.gz RJDNXGDHPMIANM-VIFPVBQESA-N 1 2 237.307 0.791 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCCO ZINC000331764899 176041280 /nfs/dbraw/zinc/04/12/80/176041280.db2.gz LFOCSFZXQHBLKV-QMMMGPOBSA-N 1 2 225.296 0.383 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCCO ZINC000331764899 176041281 /nfs/dbraw/zinc/04/12/81/176041281.db2.gz LFOCSFZXQHBLKV-QMMMGPOBSA-N 1 2 225.296 0.383 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000106934032 176046718 /nfs/dbraw/zinc/04/67/18/176046718.db2.gz VCNYXBVNQKOKLF-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000106934032 176046720 /nfs/dbraw/zinc/04/67/20/176046720.db2.gz VCNYXBVNQKOKLF-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000104691366 176046790 /nfs/dbraw/zinc/04/67/90/176046790.db2.gz PZUNTKMECCOQIV-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000104691366 176046792 /nfs/dbraw/zinc/04/67/92/176046792.db2.gz PZUNTKMECCOQIV-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CC1=CCCOC1 ZINC000123513583 176046873 /nfs/dbraw/zinc/04/68/73/176046873.db2.gz YUSBYNRLWGZOOL-SECBINFHSA-N 1 2 210.277 0.153 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CC1=CCCOC1 ZINC000123513583 176046874 /nfs/dbraw/zinc/04/68/74/176046874.db2.gz YUSBYNRLWGZOOL-SECBINFHSA-N 1 2 210.277 0.153 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cncc(F)c1 ZINC000373604846 176049965 /nfs/dbraw/zinc/04/99/65/176049965.db2.gz SVBWBZGODMORPA-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cncc(F)c1 ZINC000373604846 176049967 /nfs/dbraw/zinc/04/99/67/176049967.db2.gz SVBWBZGODMORPA-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cncn1C ZINC000371199092 176050062 /nfs/dbraw/zinc/05/00/62/176050062.db2.gz QZQCRLHTHSOGAM-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cncn1C ZINC000371199092 176050065 /nfs/dbraw/zinc/05/00/65/176050065.db2.gz QZQCRLHTHSOGAM-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCCN1Cc1c[nH+]cn1C ZINC000371199092 176050066 /nfs/dbraw/zinc/05/00/66/176050066.db2.gz QZQCRLHTHSOGAM-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000299689871 176168285 /nfs/dbraw/zinc/16/82/85/176168285.db2.gz YOIDWOLXIOTENV-SSDOTTSWSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000299689871 176168286 /nfs/dbraw/zinc/16/82/86/176168286.db2.gz YOIDWOLXIOTENV-SSDOTTSWSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]c[nH]2)CC[S@]1=O ZINC000361322847 176178499 /nfs/dbraw/zinc/17/84/99/176178499.db2.gz AJPQJKDVVPJATA-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH]c[nH+]2)CC[S@]1=O ZINC000361322847 176178500 /nfs/dbraw/zinc/17/85/00/176178500.db2.gz AJPQJKDVVPJATA-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cocn1 ZINC000336758921 176184027 /nfs/dbraw/zinc/18/40/27/176184027.db2.gz KXWGLKBDQJLGIX-VXNVDRBHSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cocn1 ZINC000336758918 176184337 /nfs/dbraw/zinc/18/43/37/176184337.db2.gz KXWGLKBDQJLGIX-APPZFPTMSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000373932714 176191577 /nfs/dbraw/zinc/19/15/77/176191577.db2.gz ZJOVZLLNEOQAJV-FOGDFJRCSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CC[S@@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000361329894 176238167 /nfs/dbraw/zinc/23/81/67/176238167.db2.gz FFOHBCWYPTWWNP-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CC[S@@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000361329894 176238168 /nfs/dbraw/zinc/23/81/68/176238168.db2.gz FFOHBCWYPTWWNP-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307940011 176267458 /nfs/dbraw/zinc/26/74/58/176267458.db2.gz VRVUZTUCXCTNHI-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307940011 176267459 /nfs/dbraw/zinc/26/74/59/176267459.db2.gz VRVUZTUCXCTNHI-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C(N)=O)O1 ZINC000268309176 176280433 /nfs/dbraw/zinc/28/04/33/176280433.db2.gz AXJQYFVLTGOQIH-YEMZYZDBSA-N 1 2 218.684 0.314 20 0 BCADLO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C(N)=O)O1 ZINC000268309176 176280435 /nfs/dbraw/zinc/28/04/35/176280435.db2.gz AXJQYFVLTGOQIH-YEMZYZDBSA-N 1 2 218.684 0.314 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C2CC2)O1 ZINC000336623405 176283062 /nfs/dbraw/zinc/28/30/62/176283062.db2.gz GNQWNHUZYLNFKF-PWSUYJOCSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C2CC2)O1 ZINC000336623405 176283064 /nfs/dbraw/zinc/28/30/64/176283064.db2.gz GNQWNHUZYLNFKF-PWSUYJOCSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCOC[C@H]2C)CCC1=O ZINC000338572734 176290473 /nfs/dbraw/zinc/29/04/73/176290473.db2.gz QDIZMONHTGLOFN-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCOC[C@H]2C)CCC1=O ZINC000338572734 176290474 /nfs/dbraw/zinc/29/04/74/176290474.db2.gz QDIZMONHTGLOFN-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CCC1=O ZINC000338572734 176290476 /nfs/dbraw/zinc/29/04/76/176290476.db2.gz QDIZMONHTGLOFN-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CCC1=O ZINC000338572734 176290477 /nfs/dbraw/zinc/29/04/77/176290477.db2.gz QDIZMONHTGLOFN-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCC1=O ZINC000338570617 176291207 /nfs/dbraw/zinc/29/12/07/176291207.db2.gz SXUYRWJSANIKKC-SECBINFHSA-N 1 2 238.287 0.046 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCC1=O ZINC000338570617 176291208 /nfs/dbraw/zinc/29/12/08/176291208.db2.gz SXUYRWJSANIKKC-SECBINFHSA-N 1 2 238.287 0.046 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CCO1 ZINC000334454516 176291575 /nfs/dbraw/zinc/29/15/75/176291575.db2.gz FICSKSVYCHFPSZ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CCO1 ZINC000334454516 176291577 /nfs/dbraw/zinc/29/15/77/176291577.db2.gz FICSKSVYCHFPSZ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219870 176296163 /nfs/dbraw/zinc/29/61/63/176296163.db2.gz OWSIINRWLYIXNI-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn[nH]c2)CC(=O)N1C ZINC000297739963 176296204 /nfs/dbraw/zinc/29/62/04/176296204.db2.gz SXHHMZLVNKSIAU-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC(=O)N1C ZINC000297739963 176296206 /nfs/dbraw/zinc/29/62/06/176296206.db2.gz SXHHMZLVNKSIAU-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC(=O)N1 ZINC000294706926 176302945 /nfs/dbraw/zinc/30/29/45/176302945.db2.gz BRBSZOWZEUJKSA-SECBINFHSA-N 1 2 247.298 0.106 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC(=O)N1 ZINC000294706926 176302946 /nfs/dbraw/zinc/30/29/46/176302946.db2.gz BRBSZOWZEUJKSA-SECBINFHSA-N 1 2 247.298 0.106 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@H](C(N)=O)O1 ZINC000092006311 176307251 /nfs/dbraw/zinc/30/72/51/176307251.db2.gz CPKJZHMYCVQOFK-PSASIEDQSA-N 1 2 224.260 0.354 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H](C(N)=O)O1 ZINC000092006311 176307253 /nfs/dbraw/zinc/30/72/53/176307253.db2.gz CPKJZHMYCVQOFK-PSASIEDQSA-N 1 2 224.260 0.354 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](C(N)=O)O1 ZINC000122724232 176308216 /nfs/dbraw/zinc/30/82/16/176308216.db2.gz RDDSZCAHFQRHRJ-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](C(N)=O)O1 ZINC000122724232 176308218 /nfs/dbraw/zinc/30/82/18/176308218.db2.gz RDDSZCAHFQRHRJ-MWLCHTKSSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@@H]1O ZINC000351775106 176313515 /nfs/dbraw/zinc/31/35/15/176313515.db2.gz QLVCPKDEFPRLNT-ZJUUUORDSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@@H]1O ZINC000351775106 176313517 /nfs/dbraw/zinc/31/35/17/176313517.db2.gz QLVCPKDEFPRLNT-ZJUUUORDSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@H](C2CC2)O1 ZINC000373403112 176315212 /nfs/dbraw/zinc/31/52/12/176315212.db2.gz NAFKVRBBDDBGOM-FBIMIBRVSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@H](C2CC2)O1 ZINC000373403112 176315213 /nfs/dbraw/zinc/31/52/13/176315213.db2.gz NAFKVRBBDDBGOM-FBIMIBRVSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CC(=O)N1 ZINC000296237323 176317544 /nfs/dbraw/zinc/31/75/44/176317544.db2.gz ORPZAQPQGCOCNH-LJWDBELGSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2Cc3ccccc3[C@H]2O)CC(=O)N1 ZINC000296237323 176317546 /nfs/dbraw/zinc/31/75/46/176317546.db2.gz ORPZAQPQGCOCNH-LJWDBELGSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000337885507 176322082 /nfs/dbraw/zinc/32/20/82/176322082.db2.gz XPQNQLDFLBPMTF-APPZFPTMSA-N 1 2 233.275 0.180 20 0 BCADLO C[C@@H]1COCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000336548420 176331867 /nfs/dbraw/zinc/33/18/67/176331867.db2.gz QIHBAKSJHFXHBK-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CC1 ZINC000359306726 176336020 /nfs/dbraw/zinc/33/60/20/176336020.db2.gz GGMDJKGUROTAFR-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C1CC1 ZINC000359306726 176336021 /nfs/dbraw/zinc/33/60/21/176336021.db2.gz GGMDJKGUROTAFR-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccon1 ZINC000330628317 176336242 /nfs/dbraw/zinc/33/62/42/176336242.db2.gz YWJWEBSSZUADAG-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccon1 ZINC000330628317 176336244 /nfs/dbraw/zinc/33/62/44/176336244.db2.gz YWJWEBSSZUADAG-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2cnccn12 ZINC000091814754 176337637 /nfs/dbraw/zinc/33/76/37/176337637.db2.gz GTSLSUARQFGDCV-SNVBAGLBSA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1cnc2cnccn12 ZINC000091814754 176337639 /nfs/dbraw/zinc/33/76/39/176337639.db2.gz GTSLSUARQFGDCV-SNVBAGLBSA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H]1CSC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000336554464 176354321 /nfs/dbraw/zinc/35/43/21/176354321.db2.gz VNGDCZKRCSVHQI-RKDXNWHRSA-N 1 2 225.317 0.751 20 0 BCADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnn(C)n2)C1 ZINC000194431025 176361315 /nfs/dbraw/zinc/36/13/15/176361315.db2.gz GZSBXIYDCJQISL-RKDXNWHRSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)NCC[NH+]1CCOCC1 ZINC000335016425 176363736 /nfs/dbraw/zinc/36/37/36/176363736.db2.gz NVZVGVWYUFWTGP-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000282435689 176364828 /nfs/dbraw/zinc/36/48/28/176364828.db2.gz DOODLSLNEIMARS-MRTMQBJTSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000282097377 176366705 /nfs/dbraw/zinc/36/67/05/176366705.db2.gz IKMUYAPXDMPYHO-FXPVBKGRSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1nccc(N)n1 ZINC000309244153 176380166 /nfs/dbraw/zinc/38/01/66/176380166.db2.gz BOIHQTPQXVEXRW-BDAKNGLRSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1nccc(N)n1 ZINC000309244153 176380167 /nfs/dbraw/zinc/38/01/67/176380167.db2.gz BOIHQTPQXVEXRW-BDAKNGLRSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000354284698 176389608 /nfs/dbraw/zinc/38/96/08/176389608.db2.gz SWOISAPKJVXMIG-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000354284698 176389609 /nfs/dbraw/zinc/38/96/09/176389609.db2.gz SWOISAPKJVXMIG-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000353770206 176389670 /nfs/dbraw/zinc/38/96/70/176389670.db2.gz GJCMZUIMYBOPFC-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000353770206 176389672 /nfs/dbraw/zinc/38/96/72/176389672.db2.gz GJCMZUIMYBOPFC-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H](CNC(=O)C[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000352505412 176390187 /nfs/dbraw/zinc/39/01/87/176390187.db2.gz BJPXQUYXGUWYQK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330762467 177000452 /nfs/dbraw/zinc/00/04/52/177000452.db2.gz OMWFOUHLHDLCFO-IUCAKERBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330762467 177000454 /nfs/dbraw/zinc/00/04/54/177000454.db2.gz OMWFOUHLHDLCFO-IUCAKERBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000360296527 177000787 /nfs/dbraw/zinc/00/07/87/177000787.db2.gz PPLGBOPKGJXUFR-IUCAKERBSA-N 1 2 240.307 0.379 20 0 BCADLO C[C@H](c1ccccn1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330867023 177043059 /nfs/dbraw/zinc/04/30/59/177043059.db2.gz XUAHLDPRQJKJTD-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330867023 177043060 /nfs/dbraw/zinc/04/30/60/177043060.db2.gz XUAHLDPRQJKJTD-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1cccnc1)[NH+]1CCN(CCO)CC1 ZINC000069816216 177046437 /nfs/dbraw/zinc/04/64/37/177046437.db2.gz JMVAZGAOVFMKIU-GFCCVEGCSA-N 1 2 235.331 0.753 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000373364389 177051269 /nfs/dbraw/zinc/05/12/69/177051269.db2.gz UIQLENKNZXXQFR-NXEZZACHSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000373364389 177051270 /nfs/dbraw/zinc/05/12/70/177051270.db2.gz UIQLENKNZXXQFR-NXEZZACHSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380122 177052512 /nfs/dbraw/zinc/05/25/12/177052512.db2.gz RBBOQUFRMPFGJQ-MXWKQRLJSA-N 1 2 235.287 0.637 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380122 177052514 /nfs/dbraw/zinc/05/25/14/177052514.db2.gz RBBOQUFRMPFGJQ-MXWKQRLJSA-N 1 2 235.287 0.637 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2ncccc2C1 ZINC000368332843 177054952 /nfs/dbraw/zinc/05/49/52/177054952.db2.gz RLDJBSMZPLCBMO-SECBINFHSA-N 1 2 244.302 0.724 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCc2ncccc2C1 ZINC000368332843 177054954 /nfs/dbraw/zinc/05/49/54/177054954.db2.gz RLDJBSMZPLCBMO-SECBINFHSA-N 1 2 244.302 0.724 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000276220343 177055405 /nfs/dbraw/zinc/05/54/05/177055405.db2.gz LYESUMLSYQMPFG-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCc2n[nH]cc2C1 ZINC000276220343 177055407 /nfs/dbraw/zinc/05/54/07/177055407.db2.gz LYESUMLSYQMPFG-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H](c1nnnn1C)N(C)Cc1[nH+]ccn1C ZINC000330972903 177055816 /nfs/dbraw/zinc/05/58/16/177055816.db2.gz SIUBUPXKELVEOL-MRVPVSSYSA-N 1 2 235.295 0.137 20 0 BCADLO C[C@H]1C(=O)N([C@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000329174508 177057590 /nfs/dbraw/zinc/05/75/90/177057590.db2.gz LXHFLUOIQBVJAQ-IUCAKERBSA-N 1 2 248.286 0.480 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1ccnn1C ZINC000338567369 177057606 /nfs/dbraw/zinc/05/76/06/177057606.db2.gz MXYMKGNXLVADAC-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1ccnn1C ZINC000338567369 177057608 /nfs/dbraw/zinc/05/76/08/177057608.db2.gz MXYMKGNXLVADAC-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccno1 ZINC000336546810 177058243 /nfs/dbraw/zinc/05/82/43/177058243.db2.gz FJAJTXZOGDZDGP-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccno1 ZINC000336546810 177058245 /nfs/dbraw/zinc/05/82/45/177058245.db2.gz FJAJTXZOGDZDGP-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1CC(NC(=O)CCc2c[nH+]cn2C)=NO1 ZINC000281079746 177064582 /nfs/dbraw/zinc/06/45/82/177064582.db2.gz FBHHVOUIYNLLCC-QMMMGPOBSA-N 1 2 236.275 0.591 20 0 BCADLO C[C@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)=NO1 ZINC000284455114 177064615 /nfs/dbraw/zinc/06/46/15/177064615.db2.gz RIPVNMFRTIFBMI-AIYRYJHASA-N 1 2 220.232 0.661 20 0 BCADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnn(C)n1 ZINC000194434679 177117432 /nfs/dbraw/zinc/11/74/32/177117432.db2.gz RDIPDIMZNXNWDD-DTORHVGOSA-N 1 2 209.297 0.973 20 0 BCADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnn(C)n1 ZINC000194434679 177117433 /nfs/dbraw/zinc/11/74/33/177117433.db2.gz RDIPDIMZNXNWDD-DTORHVGOSA-N 1 2 209.297 0.973 20 0 BCADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1CO ZINC000283212708 177145500 /nfs/dbraw/zinc/14/55/00/177145500.db2.gz RTOBUPMNZJXTNF-CWVBBZIGSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1CO ZINC000226335873 177147424 /nfs/dbraw/zinc/14/74/24/177147424.db2.gz QNENWONVKBKXJF-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1n[nH]c(=O)s1 ZINC000367459357 177177899 /nfs/dbraw/zinc/17/78/99/177177899.db2.gz SOYSVRALFNOWBW-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1CC1N=NC(=O)S1 ZINC000367459357 177177901 /nfs/dbraw/zinc/17/79/01/177177901.db2.gz SOYSVRALFNOWBW-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1CCOCC[N@H+]1CC1N=NC(=O)S1 ZINC000367459357 177177902 /nfs/dbraw/zinc/17/79/02/177177902.db2.gz SOYSVRALFNOWBW-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1CCO[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378109427 177178515 /nfs/dbraw/zinc/17/85/15/177178515.db2.gz IYDZGWJHADPRFQ-ONGXEEELSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346178845 177185596 /nfs/dbraw/zinc/18/55/96/177185596.db2.gz CKBRRTLGQMAMAI-KNVOCYPGSA-N 1 2 224.268 0.011 20 0 BCADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346178845 177185597 /nfs/dbraw/zinc/18/55/97/177185597.db2.gz CKBRRTLGQMAMAI-KNVOCYPGSA-N 1 2 224.268 0.011 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCC1=O ZINC000329385722 177215400 /nfs/dbraw/zinc/21/54/00/177215400.db2.gz QBBARQGBIYZXLX-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCC1=O ZINC000329385722 177215401 /nfs/dbraw/zinc/21/54/01/177215401.db2.gz QBBARQGBIYZXLX-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO C[C@H]1CN(C(=O)c2cnns2)C[C@H](C)[NH+]1C ZINC000358729516 177231485 /nfs/dbraw/zinc/23/14/85/177231485.db2.gz YTMCRDCJJIGVJI-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC(=O)N(C)C ZINC000336377522 177243011 /nfs/dbraw/zinc/24/30/11/177243011.db2.gz NYNSBMTUUJRJHW-VHSXEESVSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC(=O)N(C)C ZINC000336377522 177243013 /nfs/dbraw/zinc/24/30/13/177243013.db2.gz NYNSBMTUUJRJHW-VHSXEESVSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@H]1C[N@H+](CCc2cccnc2)CC(=O)N1C ZINC000282381279 177254270 /nfs/dbraw/zinc/25/42/70/177254270.db2.gz WZOIACJWOHODFU-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cccnc2)CC(=O)N1C ZINC000282381279 177254271 /nfs/dbraw/zinc/25/42/71/177254271.db2.gz WZOIACJWOHODFU-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn(C)c2)CCC1=O ZINC000230762005 177255875 /nfs/dbraw/zinc/25/58/75/177255875.db2.gz YMHNZMLRCXYVJC-JTQLQIEISA-N 1 2 221.304 0.874 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn(C)c2)CCC1=O ZINC000230762005 177255877 /nfs/dbraw/zinc/25/58/77/177255877.db2.gz YMHNZMLRCXYVJC-JTQLQIEISA-N 1 2 221.304 0.874 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccncc2)CC(=O)N1 ZINC000296315741 177256070 /nfs/dbraw/zinc/25/60/70/177256070.db2.gz SZPGGKNLPQMNHD-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccncc2)CC(=O)N1 ZINC000296315741 177256072 /nfs/dbraw/zinc/25/60/72/177256072.db2.gz SZPGGKNLPQMNHD-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc3cnccn23)CCO1 ZINC000271034455 177269028 /nfs/dbraw/zinc/26/90/28/177269028.db2.gz ISDSJFIWSBOAQY-JTQLQIEISA-N 1 2 232.287 0.950 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc3cnccn23)CCO1 ZINC000271034455 177269029 /nfs/dbraw/zinc/26/90/29/177269029.db2.gz ISDSJFIWSBOAQY-JTQLQIEISA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000339571133 177271818 /nfs/dbraw/zinc/27/18/18/177271818.db2.gz ASGKXSOHKIXOFA-DTWKUNHWSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc2n1CCOC2 ZINC000339571133 177271819 /nfs/dbraw/zinc/27/18/19/177271819.db2.gz ASGKXSOHKIXOFA-DTWKUNHWSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1O ZINC000351775105 177272054 /nfs/dbraw/zinc/27/20/54/177272054.db2.gz QLVCPKDEFPRLNT-VHSXEESVSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1O ZINC000351775105 177272056 /nfs/dbraw/zinc/27/20/56/177272056.db2.gz QLVCPKDEFPRLNT-VHSXEESVSA-N 1 2 236.319 0.427 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000280120351 177272174 /nfs/dbraw/zinc/27/21/74/177272174.db2.gz BOSZOKUXICLBQP-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)[C@H]1C ZINC000339584156 177272340 /nfs/dbraw/zinc/27/23/40/177272340.db2.gz XXKIPAKRZHDXKB-YUMQZZPRSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)[C@H]1C ZINC000339584156 177272342 /nfs/dbraw/zinc/27/23/42/177272342.db2.gz XXKIPAKRZHDXKB-YUMQZZPRSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000351822364 177272431 /nfs/dbraw/zinc/27/24/31/177272431.db2.gz WNYYGXOJHWIBNP-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000351822364 177272433 /nfs/dbraw/zinc/27/24/33/177272433.db2.gz WNYYGXOJHWIBNP-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296113426 177273895 /nfs/dbraw/zinc/27/38/95/177273895.db2.gz HDCXPRZXICHEHJ-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296113426 177273896 /nfs/dbraw/zinc/27/38/96/177273896.db2.gz HDCXPRZXICHEHJ-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(=O)N1 ZINC000295633034 177278255 /nfs/dbraw/zinc/27/82/55/177278255.db2.gz BKPFMYCBQQOEQN-QMMMGPOBSA-N 1 2 230.271 0.888 20 0 BCADLO C[C@H]1C[NH2+]CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000179116136 177283575 /nfs/dbraw/zinc/28/35/75/177283575.db2.gz MPLPLPILOXKDSG-QMMMGPOBSA-N 1 2 234.303 0.721 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2ncnn2CCF)C1 ZINC000370005290 177289681 /nfs/dbraw/zinc/28/96/81/177289681.db2.gz HOFPAXYYJVZAGW-SNVBAGLBSA-N 1 2 242.298 0.716 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000370005290 177289683 /nfs/dbraw/zinc/28/96/83/177289683.db2.gz HOFPAXYYJVZAGW-SNVBAGLBSA-N 1 2 242.298 0.716 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C ZINC000355081573 177290771 /nfs/dbraw/zinc/29/07/71/177290771.db2.gz FGDBQJXPBLUUOQ-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C ZINC000355081573 177290772 /nfs/dbraw/zinc/29/07/72/177290772.db2.gz FGDBQJXPBLUUOQ-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H](CF)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352901221 177292198 /nfs/dbraw/zinc/29/21/98/177292198.db2.gz POOMXWVIDIEWQR-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](CF)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352901221 177292200 /nfs/dbraw/zinc/29/22/00/177292200.db2.gz POOMXWVIDIEWQR-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357425017 177292510 /nfs/dbraw/zinc/29/25/10/177292510.db2.gz NWEVMKJQUNFBFB-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357425017 177292512 /nfs/dbraw/zinc/29/25/12/177292512.db2.gz NWEVMKJQUNFBFB-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)[C@@H](C)CO1 ZINC000354843917 177301835 /nfs/dbraw/zinc/30/18/35/177301835.db2.gz CLYXTHLCKJVKPG-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)[C@@H](C)CO1 ZINC000354843917 177301836 /nfs/dbraw/zinc/30/18/36/177301836.db2.gz CLYXTHLCKJVKPG-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCOC1 ZINC000087313603 487637826 /nfs/dbraw/zinc/63/78/26/487637826.db2.gz NFOIROBBPXOIOY-QMMMGPOBSA-N 1 2 224.264 0.340 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000282435700 177321770 /nfs/dbraw/zinc/32/17/70/177321770.db2.gz DOODLSLNEIMARS-XKSSXDPKSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000340934580 177337538 /nfs/dbraw/zinc/33/75/38/177337538.db2.gz WDFQKUSGRJBVEW-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(F)(F)F ZINC000340934580 177337540 /nfs/dbraw/zinc/33/75/40/177337540.db2.gz WDFQKUSGRJBVEW-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285778791 177342475 /nfs/dbraw/zinc/34/24/75/177342475.db2.gz CKCVZMXWJKSWMK-XKSSXDPKSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@H]1C[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285778791 177342476 /nfs/dbraw/zinc/34/24/76/177342476.db2.gz CKCVZMXWJKSWMK-XKSSXDPKSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(F)F ZINC000376187025 177366178 /nfs/dbraw/zinc/36/61/78/177366178.db2.gz IVOUTZJRLNMPER-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627346 177373735 /nfs/dbraw/zinc/37/37/35/177373735.db2.gz HNJXLTFXIMJQCW-ONGXEEELSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627346 177373737 /nfs/dbraw/zinc/37/37/37/177373737.db2.gz HNJXLTFXIMJQCW-ONGXEEELSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc2n1CCCC2 ZINC000331534217 177374387 /nfs/dbraw/zinc/37/43/87/177374387.db2.gz GLIAMLBVHJJLFD-UWVGGRQHSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc2n1CCCC2 ZINC000331534217 177374388 /nfs/dbraw/zinc/37/43/88/177374388.db2.gz GLIAMLBVHJJLFD-UWVGGRQHSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000353982970 177377934 /nfs/dbraw/zinc/37/79/34/177377934.db2.gz JFBJAIJFQCFYEV-RYUDHWBXSA-N 1 2 240.347 0.823 20 0 BCADLO C[C@H]1C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000076048664 177383429 /nfs/dbraw/zinc/38/34/29/177383429.db2.gz LUDAZNLKBWWKQP-VHSXEESVSA-N 1 2 227.308 0.026 20 0 BCADLO C[C@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000267356375 177394420 /nfs/dbraw/zinc/39/44/20/177394420.db2.gz KLZUHYNANMSPRC-MRVPVSSYSA-N 1 2 244.254 0.775 20 0 BCADLO COC[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000309080441 487642184 /nfs/dbraw/zinc/64/21/84/487642184.db2.gz OWAUOQVBVYPYGQ-VXNVDRBHSA-N 1 2 213.281 0.376 20 0 BCADLO CO[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1OC ZINC000487104995 225288354 /nfs/dbraw/zinc/28/83/54/225288354.db2.gz CRNJXLFCLMGIJX-UWVGGRQHSA-N 1 2 223.276 0.635 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000487916657 225331531 /nfs/dbraw/zinc/33/15/31/225331531.db2.gz JZRZHGPHIGYFER-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000487916657 225331534 /nfs/dbraw/zinc/33/15/34/225331534.db2.gz JZRZHGPHIGYFER-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1CC(F)F ZINC000488099212 225347829 /nfs/dbraw/zinc/34/78/29/225347829.db2.gz DFCNUJKDUZFMIN-SFYZADRCSA-N 1 2 246.261 0.498 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncnn1CC(F)F ZINC000488099212 225347831 /nfs/dbraw/zinc/34/78/31/225347831.db2.gz DFCNUJKDUZFMIN-SFYZADRCSA-N 1 2 246.261 0.498 20 0 BCADLO OCC1(O)CCN(c2cccc[nH+]2)CC1 ZINC000313647293 487645806 /nfs/dbraw/zinc/64/58/06/487645806.db2.gz WGQWXPWCKONPMU-UHFFFAOYSA-N 1 2 208.261 0.405 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cc[nH]n1 ZINC000492759732 226047650 /nfs/dbraw/zinc/04/76/50/226047650.db2.gz CQNGGEVHVRINCX-OWOJBTEDSA-N 1 2 217.232 0.462 20 0 BCADLO COC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000492770912 226050321 /nfs/dbraw/zinc/05/03/21/226050321.db2.gz RHDJVPCBVADXJZ-UMBAGQNISA-N 1 2 239.275 0.201 20 0 BCADLO Cc1nnsc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492799729 226054921 /nfs/dbraw/zinc/05/49/21/226054921.db2.gz NJQFBERUDSAWKE-IHWYPQMZSA-N 1 2 249.299 0.899 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1=NCCS1 ZINC000492807106 226056963 /nfs/dbraw/zinc/05/69/63/226056963.db2.gz AVBFHKLOMDCLHQ-OWOJBTEDSA-N 1 2 222.273 0.642 20 0 BCADLO COCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492809022 226057351 /nfs/dbraw/zinc/05/73/51/226057351.db2.gz FFGHJMZXYQGIJI-ONEGZZNKSA-N 1 2 235.287 0.918 20 0 BCADLO COCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813832 226058317 /nfs/dbraw/zinc/05/83/17/226058317.db2.gz QNVAIVHJBSCCHV-TYRPZCRBSA-N 1 2 223.276 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CCO ZINC000492822271 226060830 /nfs/dbraw/zinc/06/08/30/226060830.db2.gz IBRTULAQZFWLMH-PGLGOXFNSA-N 1 2 235.287 0.796 20 0 BCADLO COC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857680 226069233 /nfs/dbraw/zinc/06/92/33/226069233.db2.gz DRTJNCMQQIYYDA-PLNGDYQASA-N 1 2 223.276 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)OCC1CC1 ZINC000492861910 226069737 /nfs/dbraw/zinc/06/97/37/226069737.db2.gz KCDSSLAFGIQRKY-ONEGZZNKSA-N 1 2 249.270 0.492 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C(F)F ZINC000492893508 226076418 /nfs/dbraw/zinc/07/64/18/226076418.db2.gz FZIFCHNXAKQNJT-TWJVDONLSA-N 1 2 231.202 0.165 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C(F)F ZINC000492893509 226076483 /nfs/dbraw/zinc/07/64/83/226076483.db2.gz FZIFCHNXAKQNJT-XRHZSYRXSA-N 1 2 231.202 0.165 20 0 BCADLO C[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492896331 226077555 /nfs/dbraw/zinc/07/75/55/226077555.db2.gz IXRRHQKULBXZLY-ZZKXABKFSA-N 1 2 235.287 0.966 20 0 BCADLO CCn1ncnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902955 226079643 /nfs/dbraw/zinc/07/96/43/226079643.db2.gz SIKPCUHJQVVIAQ-ONEGZZNKSA-N 1 2 246.274 0.351 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(CCO)CC1 ZINC000493298607 226179513 /nfs/dbraw/zinc/17/95/13/226179513.db2.gz VQXZUTAVCNAIHW-OWOJBTEDSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCO)C1CC1 ZINC000493313647 226182636 /nfs/dbraw/zinc/18/26/36/226182636.db2.gz BUQOUQITYSBVID-ONEGZZNKSA-N 1 2 221.260 0.406 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCO)C1CC1 ZINC000493313646 226182711 /nfs/dbraw/zinc/18/27/11/226182711.db2.gz BUQOUQITYSBVID-ARJAWSKDSA-N 1 2 221.260 0.406 20 0 BCADLO Cn1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493150548 226140052 /nfs/dbraw/zinc/14/00/52/226140052.db2.gz JQXHACHYNDYUEF-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO COC[C@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493193482 226150999 /nfs/dbraw/zinc/15/09/99/226150999.db2.gz SKFNNGPIHMVHKA-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1=CCCOC1 ZINC000493414605 226208692 /nfs/dbraw/zinc/20/86/92/226208692.db2.gz BWPIIFQMIGVKJJ-ARJAWSKDSA-N 1 2 233.271 0.886 20 0 BCADLO Cc1nc(N2CCN3C(=O)OC[C@H]3C2)cc[nH+]1 ZINC000493427744 226212925 /nfs/dbraw/zinc/21/29/25/226212925.db2.gz QKZPJERXQPDBOA-SECBINFHSA-N 1 2 234.259 0.426 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](O)C1 ZINC000493466156 226224006 /nfs/dbraw/zinc/22/40/06/226224006.db2.gz ZPSZTEJKZCYIMO-JKERVTFKSA-N 1 2 207.233 0.016 20 0 BCADLO COC[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493463206 226224011 /nfs/dbraw/zinc/22/40/11/226224011.db2.gz OTKVZCFIOOQWHD-VMZHVLLKSA-N 1 2 235.287 0.918 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C[C@H]2CN(C)C(=O)O2)CCN1C ZINC000495656836 226284593 /nfs/dbraw/zinc/28/45/93/226284593.db2.gz ZEANZNMTNWYXEZ-GMTAPVOTSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C[C@H]2CN(C)C(=O)O2)CCN1C ZINC000495656836 226284594 /nfs/dbraw/zinc/28/45/94/226284594.db2.gz ZEANZNMTNWYXEZ-GMTAPVOTSA-N 1 2 241.335 0.461 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C=Cc1c[nH]cn1 ZINC000493500351 226234184 /nfs/dbraw/zinc/23/41/84/226234184.db2.gz SKPPOHYQFFYOFV-NSCUHMNNSA-N 1 2 231.259 0.473 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493526703 226239291 /nfs/dbraw/zinc/23/92/91/226239291.db2.gz PZYGLTIZZGBJJH-NBYFHADBSA-N 1 2 235.287 0.652 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCN1CCCC1=O ZINC000493548350 226242308 /nfs/dbraw/zinc/24/23/08/226242308.db2.gz FWMRPIDQMFDTLM-ARJAWSKDSA-N 1 2 248.286 0.162 20 0 BCADLO C[C@H](O)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493585336 226244639 /nfs/dbraw/zinc/24/46/39/226244639.db2.gz HZFIBFUFKUNUBA-AQHVTNBVSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H](CO)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493654828 226247891 /nfs/dbraw/zinc/24/78/91/226247891.db2.gz PUICATPNRMNLOY-ORAHPGNNSA-N 1 2 237.303 0.948 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CO)CC1 ZINC000493659661 226248042 /nfs/dbraw/zinc/24/80/42/226248042.db2.gz MBTSIPJJVPUVAO-OWOJBTEDSA-N 1 2 207.233 0.064 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NN1CCCCC1 ZINC000493667131 226248585 /nfs/dbraw/zinc/24/85/85/226248585.db2.gz XFXLKIZCMMZKRV-SNAWJCMRSA-N 1 2 220.276 0.940 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccncc1 ZINC000493682336 226249177 /nfs/dbraw/zinc/24/91/77/226249177.db2.gz HVPNGSRHKVTQBZ-UPHRSURJSA-N 1 2 214.228 0.879 20 0 BCADLO C[C@H]1C(=O)NCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493707508 226250390 /nfs/dbraw/zinc/25/03/90/226250390.db2.gz OQSXPMHTPPKYHI-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCC1=O ZINC000493723390 226251166 /nfs/dbraw/zinc/25/11/66/226251166.db2.gz UTUMIPSSWJZNKV-HPOULIHZSA-N 1 2 233.271 0.860 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](CO)C1 ZINC000493738038 226251866 /nfs/dbraw/zinc/25/18/66/226251866.db2.gz IJAVRUNFZQQOPO-XOULXFPDSA-N 1 2 235.287 0.654 20 0 BCADLO C[C@H](O)CCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493748220 226252220 /nfs/dbraw/zinc/25/22/20/226252220.db2.gz CDQVAQIZUHLPQD-NWALNABHSA-N 1 2 223.276 0.652 20 0 BCADLO C[C@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493834654 226256562 /nfs/dbraw/zinc/25/65/62/226256562.db2.gz GXFFKCUDWKHZIT-VUDBWIFFSA-N 1 2 221.260 0.718 20 0 BCADLO CO[C@H](C[N@H+](CCO)CC(F)F)C1CC1 ZINC000400282630 226339712 /nfs/dbraw/zinc/33/97/12/226339712.db2.gz RWNSQYZELJLXQZ-SECBINFHSA-N 1 2 223.263 0.971 20 0 BCADLO CO[C@H](C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000400282630 226339713 /nfs/dbraw/zinc/33/97/13/226339713.db2.gz RWNSQYZELJLXQZ-SECBINFHSA-N 1 2 223.263 0.971 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(C)(CO)CC1 ZINC000401800343 226361998 /nfs/dbraw/zinc/36/19/98/226361998.db2.gz MLONJECRLIZPJW-UHFFFAOYSA-N 1 2 224.308 0.410 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)n1 ZINC000495794137 226289116 /nfs/dbraw/zinc/28/91/16/226289116.db2.gz LJJXAFQWHSKLDG-SVRRBLITSA-N 1 2 240.263 0.479 20 0 BCADLO C[C@H]([NH2+]Cc1nccs1)C(=O)NCCF ZINC000309116697 487649531 /nfs/dbraw/zinc/64/95/31/487649531.db2.gz LWDYCLLLNWHEIK-ZETCQYMHSA-N 1 2 231.296 0.707 20 0 BCADLO C[NH+]1CCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000680842058 487656961 /nfs/dbraw/zinc/65/69/61/487656961.db2.gz AVOBCCNYIDQJKJ-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CCOC2)C1 ZINC000674952781 487660301 /nfs/dbraw/zinc/66/03/01/487660301.db2.gz XDVKQQDHVYQSKT-GFCCVEGCSA-N 1 2 235.287 0.522 20 0 BCADLO Cc1nc(NC[C@H](O)[C@H]2CCOC2)cc[nH+]1 ZINC000336729146 487662045 /nfs/dbraw/zinc/66/20/45/487662045.db2.gz HLXOQJHYWSBVRV-UWVGGRQHSA-N 1 2 223.276 0.594 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)C(F)F ZINC000228513959 487669569 /nfs/dbraw/zinc/66/95/69/487669569.db2.gz BAHHBIRTSMLZDV-NKWVEPMBSA-N 1 2 227.276 0.807 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)[C@@H](C)O1 ZINC000632169626 487673109 /nfs/dbraw/zinc/67/31/09/487673109.db2.gz ABEDBYUBNKZLDK-HLTSFMKQSA-N 1 2 236.271 0.961 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1ncc[nH]1)[C@H]1CCOC1 ZINC000660142142 487685367 /nfs/dbraw/zinc/68/53/67/487685367.db2.gz OTFCNUVQKUJDQM-WDEREUQCSA-N 1 2 239.319 0.893 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1ncc[nH]1)[C@H]1CCOC1 ZINC000660142142 487685372 /nfs/dbraw/zinc/68/53/72/487685372.db2.gz OTFCNUVQKUJDQM-WDEREUQCSA-N 1 2 239.319 0.893 20 0 BCADLO NC(=O)[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)cc1 ZINC000680975028 487685013 /nfs/dbraw/zinc/68/50/13/487685013.db2.gz PLDVPEJMUSLXTB-LLVKDONJSA-N 1 2 248.261 0.865 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000665740578 487687493 /nfs/dbraw/zinc/68/74/93/487687493.db2.gz CQEASJSFRUMBLY-DTWKUNHWSA-N 1 2 209.249 0.611 20 0 BCADLO O=C(C[NH2+]Cc1ccon1)NCC1CC1 ZINC000088053761 487696524 /nfs/dbraw/zinc/69/65/24/487696524.db2.gz BTIDDIMCEIUNIZ-UHFFFAOYSA-N 1 2 209.249 0.290 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)c1cnccn1 ZINC000681020204 487697261 /nfs/dbraw/zinc/69/72/61/487697261.db2.gz WWCFKUOBUCSLIM-SECBINFHSA-N 1 2 222.292 0.606 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000681020204 487697266 /nfs/dbraw/zinc/69/72/66/487697266.db2.gz WWCFKUOBUCSLIM-SECBINFHSA-N 1 2 222.292 0.606 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)ccn1 ZINC000527535175 262862503 /nfs/dbraw/zinc/86/25/03/262862503.db2.gz RRJDKVLTYYEJRW-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)ccn1 ZINC000527535175 262862504 /nfs/dbraw/zinc/86/25/04/262862504.db2.gz RRJDKVLTYYEJRW-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO CC1(O)CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000675314011 487700764 /nfs/dbraw/zinc/70/07/64/487700764.db2.gz HWQRTWUCYKGEIK-UHFFFAOYSA-N 1 2 239.275 0.460 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCOC1 ZINC000682032621 487705873 /nfs/dbraw/zinc/70/58/73/487705873.db2.gz IMWDTKAYVXNASC-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCOC1 ZINC000682032621 487705877 /nfs/dbraw/zinc/70/58/77/487705877.db2.gz IMWDTKAYVXNASC-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000660862478 487707595 /nfs/dbraw/zinc/70/75/95/487707595.db2.gz RQDBCGLKCFPERB-JTQLQIEISA-N 1 2 230.308 0.160 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000660862478 487707599 /nfs/dbraw/zinc/70/75/99/487707599.db2.gz RQDBCGLKCFPERB-JTQLQIEISA-N 1 2 230.308 0.160 20 0 BCADLO CC[C@H](CO)Nc1nc[nH+]c(N)c1OC ZINC000134823897 487712423 /nfs/dbraw/zinc/71/24/23/487712423.db2.gz CKQDFVUKHDPLQV-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO CC[C@H](CO)Nc1[nH+]cnc(N)c1OC ZINC000134823897 487712430 /nfs/dbraw/zinc/71/24/30/487712430.db2.gz CKQDFVUKHDPLQV-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)COC(C)C ZINC000118002753 487732671 /nfs/dbraw/zinc/73/26/71/487732671.db2.gz DMQJJLHICSORFX-SECBINFHSA-N 1 2 233.308 0.314 20 0 BCADLO C[C@@H](CO)[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665702134 487734488 /nfs/dbraw/zinc/73/44/88/487734488.db2.gz CDCCNLAQYARCHO-JGVFFNPUSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@@H](CO)[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665702134 487734494 /nfs/dbraw/zinc/73/44/94/487734494.db2.gz CDCCNLAQYARCHO-JGVFFNPUSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@@H](Nc1nc[nH+]c2c1OCCN2)[C@H](C)CO ZINC000665702133 487735085 /nfs/dbraw/zinc/73/50/85/487735085.db2.gz CDCCNLAQYARCHO-HTQZYQBOSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1OCCN2)[C@H](C)CO ZINC000665702133 487735089 /nfs/dbraw/zinc/73/50/89/487735089.db2.gz CDCCNLAQYARCHO-HTQZYQBOSA-N 1 2 238.291 0.710 20 0 BCADLO CC[C@H](CCO)Nc1nc[nH+]c2c1OCCN2 ZINC000665702385 487735147 /nfs/dbraw/zinc/73/51/47/487735147.db2.gz CARUJWUDHMKOLQ-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO CC[C@H](CCO)Nc1[nH+]cnc2c1OCCN2 ZINC000665702385 487735151 /nfs/dbraw/zinc/73/51/51/487735151.db2.gz CARUJWUDHMKOLQ-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1O ZINC000665709725 487737434 /nfs/dbraw/zinc/73/74/34/487737434.db2.gz DTYUZRSNMLYTHV-SFYZADRCSA-N 1 2 236.275 0.098 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1O ZINC000665709725 487737436 /nfs/dbraw/zinc/73/74/36/487737436.db2.gz DTYUZRSNMLYTHV-SFYZADRCSA-N 1 2 236.275 0.098 20 0 BCADLO C[C@H](C[C@H](C)O)Nc1nc[nH+]c2c1OCCN2 ZINC000665711057 487738119 /nfs/dbraw/zinc/73/81/19/487738119.db2.gz HBFUJNJKZUCNOB-SFYZADRCSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@H](C[C@H](C)O)Nc1[nH+]cnc2c1OCCN2 ZINC000665711057 487738126 /nfs/dbraw/zinc/73/81/26/487738126.db2.gz HBFUJNJKZUCNOB-SFYZADRCSA-N 1 2 238.291 0.852 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666177706 487740311 /nfs/dbraw/zinc/74/03/11/487740311.db2.gz CBKDPCOZMYHOQD-MRVPVSSYSA-N 1 2 207.277 0.993 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666177706 487740314 /nfs/dbraw/zinc/74/03/14/487740314.db2.gz CBKDPCOZMYHOQD-MRVPVSSYSA-N 1 2 207.277 0.993 20 0 BCADLO CC/C=C\CNc1nc[nH+]c2c1OCCN2 ZINC000665721462 487739904 /nfs/dbraw/zinc/73/99/04/487739904.db2.gz FLGCXGPVDWPOST-ARJAWSKDSA-N 1 2 220.276 0.772 20 0 BCADLO CC/C=C\CNc1[nH+]cnc2c1OCCN2 ZINC000665721462 487739907 /nfs/dbraw/zinc/73/99/07/487739907.db2.gz FLGCXGPVDWPOST-ARJAWSKDSA-N 1 2 220.276 0.772 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000665744831 487740963 /nfs/dbraw/zinc/74/09/63/487740963.db2.gz OVZFHCMRFMYNTG-MNOVXSKESA-N 1 2 239.319 0.973 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000675518154 487744151 /nfs/dbraw/zinc/74/41/51/487744151.db2.gz QKQDTHKYBBSKEP-UTUOFQBUSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nncn1C ZINC000399341631 487744623 /nfs/dbraw/zinc/74/46/23/487744623.db2.gz SXMYNVYBQCHSGK-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nncn1C ZINC000399341631 487744624 /nfs/dbraw/zinc/74/46/24/487744624.db2.gz SXMYNVYBQCHSGK-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1[nH+]ccn1C ZINC000669601371 487744745 /nfs/dbraw/zinc/74/47/45/487744745.db2.gz OIBQXPNMPAMUHJ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1nc(NCC[C@]2(O)CCCOC2)cc[nH+]1 ZINC000651468235 487749064 /nfs/dbraw/zinc/74/90/64/487749064.db2.gz CEWIBLUJSFNDMC-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1cc(NCC[C@@]2(O)CCCOC2)nc[nH+]1 ZINC000651468690 487748813 /nfs/dbraw/zinc/74/88/13/487748813.db2.gz RAUOPAVVWGWLKB-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO CCc1nnc(C[N@@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000681210484 487749129 /nfs/dbraw/zinc/74/91/29/487749129.db2.gz IBVANYKNJQVKBT-UHFFFAOYSA-N 1 2 232.291 0.649 20 0 BCADLO CCc1nnc(C[N@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000681210484 487749131 /nfs/dbraw/zinc/74/91/31/487749131.db2.gz IBVANYKNJQVKBT-UHFFFAOYSA-N 1 2 232.291 0.649 20 0 BCADLO C[N@H+]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000036896426 487751650 /nfs/dbraw/zinc/75/16/50/487751650.db2.gz JJZHQFMLOYAQGJ-UHFFFAOYSA-N 1 2 235.287 0.922 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(C)=O ZINC000741149866 585110665 /nfs/dbraw/zinc/11/06/65/585110665.db2.gz WEIJCVNHBBNPLK-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(C)=O ZINC000741149866 585110666 /nfs/dbraw/zinc/11/06/66/585110666.db2.gz WEIJCVNHBBNPLK-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO C[N@@H+](Cn1cc[nH]c1=S)[C@@H]1CCOC1 ZINC000743362028 585136265 /nfs/dbraw/zinc/13/62/65/585136265.db2.gz DAZMSCBVJPJBCF-MRVPVSSYSA-N 1 2 213.306 0.850 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000649506703 487757031 /nfs/dbraw/zinc/75/70/31/487757031.db2.gz TYOBHSALRIFGEU-JTQLQIEISA-N 1 2 234.303 0.148 20 0 BCADLO Cc1cncc(CC[N@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000649506703 487757035 /nfs/dbraw/zinc/75/70/35/487757035.db2.gz TYOBHSALRIFGEU-JTQLQIEISA-N 1 2 234.303 0.148 20 0 BCADLO CC(C)(C)[C@@H]([NH2+]Cc1ccon1)C(N)=O ZINC000158017930 487765395 /nfs/dbraw/zinc/76/53/95/487765395.db2.gz MCOWRCKIXWTTMQ-QMMMGPOBSA-N 1 2 211.265 0.664 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccc(F)cn1 ZINC000675688288 487766569 /nfs/dbraw/zinc/76/65/69/487766569.db2.gz VHLYHEOZBBUQBO-UHFFFAOYSA-N 1 2 234.234 0.734 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2(O)CCC2)[nH+]1 ZINC000675720960 487769241 /nfs/dbraw/zinc/76/92/41/487769241.db2.gz UZKBKOOCLDOWCQ-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO Cc1nc(NCC2(O)CCC2)nc(N(C)C)[nH+]1 ZINC000675720960 487769245 /nfs/dbraw/zinc/76/92/45/487769245.db2.gz UZKBKOOCLDOWCQ-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO CCc1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000681281904 487768927 /nfs/dbraw/zinc/76/89/27/487768927.db2.gz ANTPFNYVNIXGRE-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CCc1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000681281904 487768931 /nfs/dbraw/zinc/76/89/31/487768931.db2.gz ANTPFNYVNIXGRE-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CO[C@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000666259191 487772850 /nfs/dbraw/zinc/77/28/50/487772850.db2.gz BKDQCXLBGJEIAT-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO CCC[C@@H](O)CC(=O)NCCc1c[nH+]cn1C ZINC000681343754 487780955 /nfs/dbraw/zinc/78/09/55/487780955.db2.gz WYMRIARLKDBUMT-LLVKDONJSA-N 1 2 239.319 0.630 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157946 487780638 /nfs/dbraw/zinc/78/06/38/487780638.db2.gz LDWDJRDJDKQZAK-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO CC[NH+]1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000334368342 487785678 /nfs/dbraw/zinc/78/56/78/487785678.db2.gz SGPURAWEDNDWMK-UHFFFAOYSA-N 1 2 210.277 0.130 20 0 BCADLO COCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000675896355 487788284 /nfs/dbraw/zinc/78/82/84/487788284.db2.gz OELODNASZHPNEI-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCF)C1 ZINC000805469289 585621367 /nfs/dbraw/zinc/62/13/67/585621367.db2.gz KTXXHURUKLKECJ-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000047618352 487794456 /nfs/dbraw/zinc/79/44/56/487794456.db2.gz HHVNBBSYOOFIIY-GHMZBOCLSA-N 1 2 241.335 0.274 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000675952578 487796786 /nfs/dbraw/zinc/79/67/86/487796786.db2.gz BBUKKJIEFTYFQL-ZYHUDNBSSA-N 1 2 248.330 0.868 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[C@@H]32)C1 ZINC000672133877 487796816 /nfs/dbraw/zinc/79/68/16/487796816.db2.gz PZKCBRVLKMRHCF-VWYCJHECSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[C@@H]32)C1 ZINC000672133877 487796818 /nfs/dbraw/zinc/79/68/18/487796818.db2.gz PZKCBRVLKMRHCF-VWYCJHECSA-N 1 2 224.304 0.328 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000675952578 487796778 /nfs/dbraw/zinc/79/67/78/487796778.db2.gz BBUKKJIEFTYFQL-ZYHUDNBSSA-N 1 2 248.330 0.868 20 0 BCADLO CCn1nccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000681475388 487801118 /nfs/dbraw/zinc/80/11/18/487801118.db2.gz AYLFIBMFVLKJCR-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1nccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000681475388 487801122 /nfs/dbraw/zinc/80/11/22/487801122.db2.gz AYLFIBMFVLKJCR-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCF ZINC000666430141 487807686 /nfs/dbraw/zinc/80/76/86/487807686.db2.gz QPYJXSXQEHZWPL-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO COC[C@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000676077993 487809959 /nfs/dbraw/zinc/80/99/59/487809959.db2.gz VSXPDCKQQNADQP-QMMMGPOBSA-N 1 2 239.323 0.717 20 0 BCADLO COC[C@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000676077993 487809965 /nfs/dbraw/zinc/80/99/65/487809965.db2.gz VSXPDCKQQNADQP-QMMMGPOBSA-N 1 2 239.323 0.717 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H](C)CCO)[nH+]1 ZINC000676080530 487810031 /nfs/dbraw/zinc/81/00/31/487810031.db2.gz JBAUVGLTMKDAAR-QMMMGPOBSA-N 1 2 239.323 0.676 20 0 BCADLO Cc1nc(NC[C@@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000676080530 487810038 /nfs/dbraw/zinc/81/00/38/487810038.db2.gz JBAUVGLTMKDAAR-QMMMGPOBSA-N 1 2 239.323 0.676 20 0 BCADLO CCC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676080852 487811865 /nfs/dbraw/zinc/81/18/65/487811865.db2.gz YSZBHXKEHJONSI-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO CCC[C@@H](O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000676080852 487811867 /nfs/dbraw/zinc/81/18/67/487811867.db2.gz YSZBHXKEHJONSI-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884662 487812628 /nfs/dbraw/zinc/81/26/28/487812628.db2.gz XYKHMOCQVAYTFI-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884662 487812634 /nfs/dbraw/zinc/81/26/34/487812634.db2.gz XYKHMOCQVAYTFI-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO Cn1nccc1[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000649884334 487813118 /nfs/dbraw/zinc/81/31/18/487813118.db2.gz OVKUHRZPBBRJMQ-LBPRGKRZSA-N 1 2 247.302 0.717 20 0 BCADLO Cn1nccc1[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000649884334 487813121 /nfs/dbraw/zinc/81/31/21/487813121.db2.gz OVKUHRZPBBRJMQ-LBPRGKRZSA-N 1 2 247.302 0.717 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481752 487818153 /nfs/dbraw/zinc/81/81/53/487818153.db2.gz RANXJUSSPLXTQS-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481752 487818157 /nfs/dbraw/zinc/81/81/57/487818157.db2.gz RANXJUSSPLXTQS-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO Cc1cc(NC(=O)NC/C=C\CO)cc[nH+]1 ZINC000666491735 487820742 /nfs/dbraw/zinc/82/07/42/487820742.db2.gz ACQDEPNBMCEHHF-IHWYPQMZSA-N 1 2 221.260 0.482 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC(=O)N1 ZINC000666492327 487821027 /nfs/dbraw/zinc/82/10/27/487821027.db2.gz CMEOSBNDNBIGKU-VIFPVBQESA-N 1 2 248.286 0.212 20 0 BCADLO Cc1cc(NC(=O)NC/C=C\CO)c(C)c[nH+]1 ZINC000666496678 487821469 /nfs/dbraw/zinc/82/14/69/487821469.db2.gz SDAGBTQVBRLGBV-ARJAWSKDSA-N 1 2 235.287 0.790 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681605171 487823618 /nfs/dbraw/zinc/82/36/18/487823618.db2.gz UACXSRRQQVNGPX-NSHDSACASA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000681605171 487823621 /nfs/dbraw/zinc/82/36/21/487823621.db2.gz UACXSRRQQVNGPX-NSHDSACASA-N 1 2 246.318 0.942 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1csnn1 ZINC000309296391 487832398 /nfs/dbraw/zinc/83/23/98/487832398.db2.gz KXTVHQFYRWHNPZ-UHFFFAOYSA-N 1 2 245.348 0.757 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1csnn1 ZINC000309296391 487832406 /nfs/dbraw/zinc/83/24/06/487832406.db2.gz KXTVHQFYRWHNPZ-UHFFFAOYSA-N 1 2 245.348 0.757 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493221158 527968028 /nfs/dbraw/zinc/96/80/28/527968028.db2.gz INYRJJRPGDAROT-HIHHVFROSA-N 1 2 221.260 0.717 20 0 BCADLO CCn1cc(C[N@H+](C)CC[S@](C)=O)cn1 ZINC000827925075 587410605 /nfs/dbraw/zinc/41/06/05/587410605.db2.gz OJFCIGWGLBKKCU-HNNXBMFYSA-N 1 2 229.349 0.713 20 0 BCADLO CCn1cc(C[N@@H+](C)CC[S@](C)=O)cn1 ZINC000827925075 587410606 /nfs/dbraw/zinc/41/06/06/587410606.db2.gz OJFCIGWGLBKKCU-HNNXBMFYSA-N 1 2 229.349 0.713 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[S@](C)=O ZINC000828127097 587420127 /nfs/dbraw/zinc/42/01/27/587420127.db2.gz BXZBMYKVHFBDMF-RULNRJAQSA-N 1 2 218.366 0.389 20 0 BCADLO CC[N@@H+]1CCN(CC[S@](C)=O)[C@H](C)C1 ZINC000828525525 587447303 /nfs/dbraw/zinc/44/73/03/587447303.db2.gz UDZDLSLNEFZMPX-YGRLFVJLSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@](C)=O)[C@H](C)C1 ZINC000828525525 587447304 /nfs/dbraw/zinc/44/73/04/587447304.db2.gz UDZDLSLNEFZMPX-YGRLFVJLSA-N 1 2 218.366 0.391 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[S@](C)=O ZINC000828127097 587420129 /nfs/dbraw/zinc/42/01/29/587420129.db2.gz BXZBMYKVHFBDMF-RULNRJAQSA-N 1 2 218.366 0.389 20 0 BCADLO OCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143523 587484752 /nfs/dbraw/zinc/48/47/52/587484752.db2.gz QQSNAUZIFPWOJE-UHFFFAOYSA-N 1 2 213.668 0.480 20 0 BCADLO CC[N@@H+](CCSC)Cc1cnn(C)n1 ZINC000830999827 587581721 /nfs/dbraw/zinc/58/17/21/587581721.db2.gz WMXFFZJVJKEIBR-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BCADLO CCCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865860 528085725 /nfs/dbraw/zinc/08/57/25/528085725.db2.gz VRMOGEPVPSRQTA-ARJAWSKDSA-N 1 2 223.276 0.654 20 0 BCADLO CCO/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000493552135 528480073 /nfs/dbraw/zinc/48/00/73/528480073.db2.gz KIDYHRWSYPQCRC-XBXARRHUSA-N 1 2 209.249 0.619 20 0 BCADLO OCC[C@H]1C[N@H+](CCF)CCN1CCF ZINC000846925773 588297119 /nfs/dbraw/zinc/29/71/19/588297119.db2.gz PKJSAFOHKBCUKR-JTQLQIEISA-N 1 2 222.279 0.294 20 0 BCADLO OCC[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000846925773 588297120 /nfs/dbraw/zinc/29/71/20/588297120.db2.gz PKJSAFOHKBCUKR-JTQLQIEISA-N 1 2 222.279 0.294 20 0 BCADLO C[C@H](O)CN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000655372714 487845909 /nfs/dbraw/zinc/84/59/09/487845909.db2.gz XHONBWUUSXWQKQ-VIFPVBQESA-N 1 2 237.303 0.714 20 0 BCADLO C[C@H](O)CN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000655372714 487845915 /nfs/dbraw/zinc/84/59/15/487845915.db2.gz XHONBWUUSXWQKQ-VIFPVBQESA-N 1 2 237.303 0.714 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(Cn2cccn2)no1 ZINC000558507650 322951262 /nfs/dbraw/zinc/95/12/62/322951262.db2.gz CVIWWJGOQVLEKI-UHFFFAOYSA-N 1 2 244.258 0.639 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cocn2)C1 ZINC000668497970 487855028 /nfs/dbraw/zinc/85/50/28/487855028.db2.gz DHIXKVAJXFXOTB-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cocn2)C1 ZINC000668497970 487855036 /nfs/dbraw/zinc/85/50/36/487855036.db2.gz DHIXKVAJXFXOTB-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000558647712 322953026 /nfs/dbraw/zinc/95/30/26/322953026.db2.gz GTJBCQWXQDXGKW-RKDXNWHRSA-N 1 2 209.249 0.177 20 0 BCADLO COC[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121367474 487856265 /nfs/dbraw/zinc/85/62/65/487856265.db2.gz QTGXFHIKJVKJQB-SFYZADRCSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121367474 487856258 /nfs/dbraw/zinc/85/62/58/487856258.db2.gz QTGXFHIKJVKJQB-SFYZADRCSA-N 1 2 243.225 0.257 20 0 BCADLO C[C@@H](C[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC000564642485 322956674 /nfs/dbraw/zinc/95/66/74/322956674.db2.gz OKPMQHVFNPXONI-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO O=C(Cc1cncc(O)c1)NCCc1[nH]cc[nH+]1 ZINC000518396471 322962974 /nfs/dbraw/zinc/96/29/74/322962974.db2.gz DUPSFOAGVMFRPF-UHFFFAOYSA-N 1 2 246.270 0.412 20 0 BCADLO CCc1ncc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000676613922 487879241 /nfs/dbraw/zinc/87/92/41/487879241.db2.gz XMUIHHMKXYLOOW-UHFFFAOYSA-N 1 2 231.259 0.874 20 0 BCADLO C[C@H](CNC(=O)[C@H](O)C1CC1)Cn1cc[nH+]c1 ZINC000669019907 487884818 /nfs/dbraw/zinc/88/48/18/487884818.db2.gz ZHTRXOJHBJARHD-MWLCHTKSSA-N 1 2 237.303 0.406 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1n[nH]cc1C)CC2 ZINC000669615853 487890225 /nfs/dbraw/zinc/89/02/25/487890225.db2.gz ZBERBBOEDXPSPL-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO CC(C)(O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000676704419 487895671 /nfs/dbraw/zinc/89/56/71/487895671.db2.gz AYPXLHWLXJLVLB-SNVBAGLBSA-N 1 2 237.303 0.645 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCOC[C@@H]2C)o1 ZINC000676712843 487900661 /nfs/dbraw/zinc/90/06/61/487900661.db2.gz NGTKLNSNZBYKER-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCCOC[C@@H]2C)o1 ZINC000676712843 487900655 /nfs/dbraw/zinc/90/06/55/487900655.db2.gz NGTKLNSNZBYKER-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCCOC[C@H]2C)o1 ZINC000676712842 487901105 /nfs/dbraw/zinc/90/11/05/487901105.db2.gz NGTKLNSNZBYKER-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCOC[C@H]2C)o1 ZINC000676712842 487901110 /nfs/dbraw/zinc/90/11/10/487901110.db2.gz NGTKLNSNZBYKER-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCN1CCCC1=O ZINC000652294440 487903439 /nfs/dbraw/zinc/90/34/39/487903439.db2.gz DPZVHTGCCVQJJL-SECBINFHSA-N 1 2 236.319 0.991 20 0 BCADLO Cn1cc(N2CC[C@H]([N@H+]3CC=CCC3)C2=O)cn1 ZINC000679324140 487904814 /nfs/dbraw/zinc/90/48/14/487904814.db2.gz MJHKYEQUNVLLHW-LBPRGKRZSA-N 1 2 246.314 0.787 20 0 BCADLO Cn1cc(N2CC[C@H]([N@@H+]3CC=CCC3)C2=O)cn1 ZINC000679324140 487904816 /nfs/dbraw/zinc/90/48/16/487904816.db2.gz MJHKYEQUNVLLHW-LBPRGKRZSA-N 1 2 246.314 0.787 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC=CCC1 ZINC000679325521 487906751 /nfs/dbraw/zinc/90/67/51/487906751.db2.gz LRXFCDDPKJTFPU-NSHDSACASA-N 1 2 224.304 0.496 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC=CCC1 ZINC000679325521 487906753 /nfs/dbraw/zinc/90/67/53/487906753.db2.gz LRXFCDDPKJTFPU-NSHDSACASA-N 1 2 224.304 0.496 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1(CO)CC1 ZINC000682090160 487908112 /nfs/dbraw/zinc/90/81/12/487908112.db2.gz KQIWGGGATAWUJS-UHFFFAOYSA-N 1 2 237.307 0.212 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1(CO)CC1 ZINC000682090160 487908116 /nfs/dbraw/zinc/90/81/16/487908116.db2.gz KQIWGGGATAWUJS-UHFFFAOYSA-N 1 2 237.307 0.212 20 0 BCADLO C[N@@H+](Cc1cocn1)C[C@@H]1COCCO1 ZINC000668544617 487918819 /nfs/dbraw/zinc/91/88/19/487918819.db2.gz DXSBTDLQMYUGRO-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO C[N@H+](Cc1cocn1)C[C@@H]1COCCO1 ZINC000668544617 487918828 /nfs/dbraw/zinc/91/88/28/487918828.db2.gz DXSBTDLQMYUGRO-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000682169756 487924318 /nfs/dbraw/zinc/92/43/18/487924318.db2.gz LWRCPFJWCFWLKM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000682169756 487924321 /nfs/dbraw/zinc/92/43/21/487924321.db2.gz LWRCPFJWCFWLKM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO COCC1(C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000679893833 487927216 /nfs/dbraw/zinc/92/72/16/487927216.db2.gz HGYNVIRNWPZGGQ-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccn(C)n1)CC2 ZINC000679908784 487929097 /nfs/dbraw/zinc/92/90/97/487929097.db2.gz ACSZMBNBMXNQOV-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795534 487930466 /nfs/dbraw/zinc/93/04/66/487930466.db2.gz LZOVGZXENXCGPY-LLVKDONJSA-N 1 2 247.302 0.025 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676795534 487930472 /nfs/dbraw/zinc/93/04/72/487930472.db2.gz LZOVGZXENXCGPY-LLVKDONJSA-N 1 2 247.302 0.025 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676795534 487930477 /nfs/dbraw/zinc/93/04/77/487930477.db2.gz LZOVGZXENXCGPY-LLVKDONJSA-N 1 2 247.302 0.025 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676795534 487930482 /nfs/dbraw/zinc/93/04/82/487930482.db2.gz LZOVGZXENXCGPY-LLVKDONJSA-N 1 2 247.302 0.025 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)O1 ZINC000408195833 487937156 /nfs/dbraw/zinc/93/71/56/487937156.db2.gz VJBUDQBBWDJOKV-MRVPVSSYSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)O1 ZINC000408195833 487937162 /nfs/dbraw/zinc/93/71/62/487937162.db2.gz VJBUDQBBWDJOKV-MRVPVSSYSA-N 1 2 240.307 0.108 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000669933961 487938765 /nfs/dbraw/zinc/93/87/65/487938765.db2.gz LEPNBUBVPWQJDY-VXGBXAGGSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000669933961 487938767 /nfs/dbraw/zinc/93/87/67/487938767.db2.gz LEPNBUBVPWQJDY-VXGBXAGGSA-N 1 2 239.315 0.845 20 0 BCADLO C[C@H](O)C[N@H+](Cc1csnn1)[C@@H](C)CO ZINC000682409298 487951756 /nfs/dbraw/zinc/95/17/56/487951756.db2.gz MSQNJJNCBBYOSE-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1csnn1)[C@@H](C)CO ZINC000682409298 487951759 /nfs/dbraw/zinc/95/17/59/487951759.db2.gz MSQNJJNCBBYOSE-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO c1csc(C[NH2+]C[C@@H]2COCCN2)n1 ZINC000083874640 487955907 /nfs/dbraw/zinc/95/59/07/487955907.db2.gz SFNHPGFQQGPMHQ-MRVPVSSYSA-N 1 2 213.306 0.221 20 0 BCADLO CS[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047151972 322817698 /nfs/dbraw/zinc/81/76/98/322817698.db2.gz KDOHYPBTEHBRFK-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CCO[C@@H](CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000531048345 322973905 /nfs/dbraw/zinc/97/39/05/322973905.db2.gz VFGQCJQHIPYRMT-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CCO[C@H](CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000531048344 322973916 /nfs/dbraw/zinc/97/39/16/322973916.db2.gz VFGQCJQHIPYRMT-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@H](CC(=O)N[C@H]1C[C@@H](O)C1)n1cc[nH+]c1 ZINC000566402347 322992460 /nfs/dbraw/zinc/99/24/60/322992460.db2.gz FCBULXHIWXOZJN-BBBLOLIVSA-N 1 2 223.276 0.474 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000131805957 323013551 /nfs/dbraw/zinc/01/35/51/323013551.db2.gz FEOKDRBFZSHJSV-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000131805957 323013552 /nfs/dbraw/zinc/01/35/52/323013552.db2.gz FEOKDRBFZSHJSV-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO c1[nH]nc2ncnc(N3CCn4c[nH+]cc4C3)c12 ZINC000562236207 323013698 /nfs/dbraw/zinc/01/36/98/323013698.db2.gz BPAPIXJZBWFIFK-UHFFFAOYSA-N 1 2 241.258 0.570 20 0 BCADLO CCn1cc(CN(C)C(=O)Cn2cc[nH+]c2)cn1 ZINC000562274965 323014493 /nfs/dbraw/zinc/01/44/93/323014493.db2.gz QJUKAMUHLABDPO-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO CN(C[C@@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC000562273638 323014686 /nfs/dbraw/zinc/01/46/86/323014686.db2.gz QHLNWRMFDMOZLH-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000562376769 323018506 /nfs/dbraw/zinc/01/85/06/323018506.db2.gz DUFZMSNLPPPJHZ-WCBMZHEXSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000562376769 323018507 /nfs/dbraw/zinc/01/85/07/323018507.db2.gz DUFZMSNLPPPJHZ-WCBMZHEXSA-N 1 2 224.308 0.706 20 0 BCADLO C[C@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC(=O)N1 ZINC000562554377 323024099 /nfs/dbraw/zinc/02/40/99/323024099.db2.gz MHMZXNDZKVEDJL-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC(=O)N1 ZINC000562554377 323024100 /nfs/dbraw/zinc/02/41/00/323024100.db2.gz MHMZXNDZKVEDJL-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CCCC3)C[C@@H]21 ZINC000151725900 323025201 /nfs/dbraw/zinc/02/52/01/323025201.db2.gz BAFCZEJCIJTJOP-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CCCC3)C[C@@H]21 ZINC000151725900 323025202 /nfs/dbraw/zinc/02/52/02/323025202.db2.gz BAFCZEJCIJTJOP-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000562681129 323027143 /nfs/dbraw/zinc/02/71/43/323027143.db2.gz YYZZKDYHWNKGEK-GFCCVEGCSA-N 1 2 237.303 0.884 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOCC12CCC2)C1CC1 ZINC000135502664 323029429 /nfs/dbraw/zinc/02/94/29/323029429.db2.gz QDTTXFPSQDTWNS-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CN(C(=O)C[N@H+]1CCOCC12CCC2)C1CC1 ZINC000135502664 323029430 /nfs/dbraw/zinc/02/94/30/323029430.db2.gz QDTTXFPSQDTWNS-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCO[C@H](CF)C1 ZINC000572728324 323037718 /nfs/dbraw/zinc/03/77/18/323037718.db2.gz KKNHCQDEZDALRI-SNVBAGLBSA-N 1 2 241.266 0.470 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000569813546 323041330 /nfs/dbraw/zinc/04/13/30/323041330.db2.gz ISUWWOVRHHVLRD-SSDOTTSWSA-N 1 2 241.320 0.089 20 0 BCADLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000569813546 323041331 /nfs/dbraw/zinc/04/13/31/323041331.db2.gz ISUWWOVRHHVLRD-SSDOTTSWSA-N 1 2 241.320 0.089 20 0 BCADLO CN1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)CC1=O ZINC000569907663 323044342 /nfs/dbraw/zinc/04/43/42/323044342.db2.gz DMTPFFNQNZJVOZ-SECBINFHSA-N 1 2 247.302 0.694 20 0 BCADLO CN1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)CC1=O ZINC000569907663 323044343 /nfs/dbraw/zinc/04/43/43/323044343.db2.gz DMTPFFNQNZJVOZ-SECBINFHSA-N 1 2 247.302 0.694 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC1(F)CC1 ZINC000570102815 323049947 /nfs/dbraw/zinc/04/99/47/323049947.db2.gz ZITIJXJIJRLQQY-UHFFFAOYSA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC1(F)CC1 ZINC000570102815 323049948 /nfs/dbraw/zinc/04/99/48/323049948.db2.gz ZITIJXJIJRLQQY-UHFFFAOYSA-N 1 2 202.273 0.945 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)CC(F)(F)F ZINC000570156165 323051225 /nfs/dbraw/zinc/05/12/25/323051225.db2.gz ZLMORWCMQCDYGQ-SSDOTTSWSA-N 1 2 223.198 0.813 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nccc(C)n1 ZINC000570159952 323051414 /nfs/dbraw/zinc/05/14/14/323051414.db2.gz RBRVCHWLJQNESM-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nccc(C)n1 ZINC000570159952 323051415 /nfs/dbraw/zinc/05/14/15/323051415.db2.gz RBRVCHWLJQNESM-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000570179127 323052261 /nfs/dbraw/zinc/05/22/61/323052261.db2.gz GACXDKAXASYHTN-WDEREUQCSA-N 1 2 226.320 0.751 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000570179127 323052262 /nfs/dbraw/zinc/05/22/62/323052262.db2.gz GACXDKAXASYHTN-WDEREUQCSA-N 1 2 226.320 0.751 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnns1 ZINC000570191543 323052423 /nfs/dbraw/zinc/05/24/23/323052423.db2.gz NGOHBTSTJROIMV-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnns1 ZINC000570191543 323052424 /nfs/dbraw/zinc/05/24/24/323052424.db2.gz NGOHBTSTJROIMV-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2nccs2)C[C@@H]1O ZINC000570197117 323052557 /nfs/dbraw/zinc/05/25/57/323052557.db2.gz SCJACADOCVSINH-BDAKNGLRSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1O ZINC000570197117 323052558 /nfs/dbraw/zinc/05/25/58/323052558.db2.gz SCJACADOCVSINH-BDAKNGLRSA-N 1 2 228.317 0.318 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](c3ccncc3)C2)n1 ZINC000570223441 323053231 /nfs/dbraw/zinc/05/32/31/323053231.db2.gz WDGVRLRZLNDRGJ-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](c3ccncc3)C2)n1 ZINC000570223441 323053232 /nfs/dbraw/zinc/05/32/32/323053232.db2.gz WDGVRLRZLNDRGJ-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO Cc1ccc(CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC000570331265 323056192 /nfs/dbraw/zinc/05/61/92/323056192.db2.gz YKTNRGGRHOAYRN-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CC(C)(CO)CO)n1 ZINC000677046336 487957328 /nfs/dbraw/zinc/95/73/28/487957328.db2.gz JHXOUZFWNNHWFS-MRVPVSSYSA-N 1 2 243.307 0.362 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CC(C)(CO)CO)n1 ZINC000677046336 487957333 /nfs/dbraw/zinc/95/73/33/487957333.db2.gz JHXOUZFWNNHWFS-MRVPVSSYSA-N 1 2 243.307 0.362 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)Cc1nnnn1C ZINC000570582997 323063942 /nfs/dbraw/zinc/06/39/42/323063942.db2.gz QFNORNBYSQPKQT-UHFFFAOYSA-N 1 2 233.279 0.253 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1N ZINC000083885762 487957360 /nfs/dbraw/zinc/95/73/60/487957360.db2.gz KMFFLFSMZGWGGP-JTQLQIEISA-N 1 2 249.314 0.329 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1N ZINC000083885762 487957367 /nfs/dbraw/zinc/95/73/67/487957367.db2.gz KMFFLFSMZGWGGP-JTQLQIEISA-N 1 2 249.314 0.329 20 0 BCADLO CN(C)[C@@H](C(=O)N[C@H]1CC12CC2)c1c[nH+]cn1C ZINC000563006842 323079550 /nfs/dbraw/zinc/07/95/50/323079550.db2.gz HLZZHOVBIQBOIX-WDEREUQCSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](CO)O1 ZINC000527303553 323091599 /nfs/dbraw/zinc/09/15/99/323091599.db2.gz WVQAKTDGKTZMQC-JOYOIKCWSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](CO)O1 ZINC000527303553 323091600 /nfs/dbraw/zinc/09/16/00/323091600.db2.gz WVQAKTDGKTZMQC-JOYOIKCWSA-N 1 2 241.287 0.354 20 0 BCADLO Cc1ccc2c(n1)[nH]cc(C(=O)NCC[NH3+])c2=O ZINC000563096617 323092179 /nfs/dbraw/zinc/09/21/79/323092179.db2.gz SIPYXESELCDYTM-UHFFFAOYSA-N 1 2 246.270 0.332 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000563138983 323095133 /nfs/dbraw/zinc/09/51/33/323095133.db2.gz XAGAGOLZNVXFQQ-DTWKUNHWSA-N 1 2 241.278 0.380 20 0 BCADLO C[C@H](CC(N)=O)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563217073 323103686 /nfs/dbraw/zinc/10/36/86/323103686.db2.gz KWJJFFAJDYQHCW-RKDXNWHRSA-N 1 2 238.291 0.214 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCOCC1 ZINC000571020739 323103927 /nfs/dbraw/zinc/10/39/27/323103927.db2.gz SIUOAIYTTVKSHM-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO CCOC[C@@H](O)C[N@H+](CC)CC(=O)OCC ZINC000069280131 323111090 /nfs/dbraw/zinc/11/10/90/323111090.db2.gz VMAOQHFEOWWVIZ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](CC)CC(=O)OCC ZINC000069280131 323111091 /nfs/dbraw/zinc/11/10/91/323111091.db2.gz VMAOQHFEOWWVIZ-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H]1CCCO1 ZINC000531820446 323114641 /nfs/dbraw/zinc/11/46/41/323114641.db2.gz QNEDEJSCQYULGN-JTQLQIEISA-N 1 2 244.316 0.514 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2CCCOC2)CCOC1 ZINC000534315041 323116345 /nfs/dbraw/zinc/11/63/45/323116345.db2.gz AOEYSBAGOISEHP-PWSUYJOCSA-N 1 2 243.303 0.335 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2=CCCC2)CCO1 ZINC000531853382 323116485 /nfs/dbraw/zinc/11/64/85/323116485.db2.gz OGZTYVAOIGJIEW-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000563392465 323122348 /nfs/dbraw/zinc/12/23/48/323122348.db2.gz LMSZGYSIJOFWQX-SECBINFHSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H](O)CSC)C1CC1 ZINC000309972080 323122703 /nfs/dbraw/zinc/12/27/03/323122703.db2.gz PZRMUCGXZDBESY-MWLCHTKSSA-N 1 2 247.360 0.642 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCCc2c[nH]nn2)C1 ZINC000563439216 323125592 /nfs/dbraw/zinc/12/55/92/323125592.db2.gz LFTBVEDSWXNVLL-SNVBAGLBSA-N 1 2 242.348 0.411 20 0 BCADLO C[N@H+]1CCO[C@@H](CSCCc2c[nH]nn2)C1 ZINC000563439216 323125593 /nfs/dbraw/zinc/12/55/93/323125593.db2.gz LFTBVEDSWXNVLL-SNVBAGLBSA-N 1 2 242.348 0.411 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000563480266 323127954 /nfs/dbraw/zinc/12/79/54/323127954.db2.gz VQJWOAMBFYSPGL-JTQLQIEISA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ncccc1O ZINC000563480266 323127955 /nfs/dbraw/zinc/12/79/55/323127955.db2.gz VQJWOAMBFYSPGL-JTQLQIEISA-N 1 2 236.271 0.925 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCC[C@H]1O ZINC000310402295 323131089 /nfs/dbraw/zinc/13/10/89/323131089.db2.gz NKAXFNFOUJRHLN-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)NC[C@H]2C1 ZINC000563637076 323133314 /nfs/dbraw/zinc/13/33/14/323133314.db2.gz QPNRXLZSXNMMQJ-JTQLQIEISA-N 1 2 247.302 0.307 20 0 BCADLO Cc1nc(C(=O)NCCc2c[nH+]cn2C)c(C)o1 ZINC000571069297 323134640 /nfs/dbraw/zinc/13/46/40/323134640.db2.gz UKLPUESAUQGPTQ-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1nc(C)no1 ZINC000571573460 323148126 /nfs/dbraw/zinc/14/81/26/323148126.db2.gz SUFAAFQYRWODBW-UHFFFAOYSA-N 1 2 245.246 0.608 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCOC1 ZINC000571583277 323148239 /nfs/dbraw/zinc/14/82/39/323148239.db2.gz CBTSDOZEFVMDNR-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCOC1 ZINC000571583277 323148240 /nfs/dbraw/zinc/14/82/40/323148240.db2.gz CBTSDOZEFVMDNR-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000571620785 323149553 /nfs/dbraw/zinc/14/95/53/323149553.db2.gz ZTEFCPCTJDREMY-ZETCQYMHSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000571620785 323149554 /nfs/dbraw/zinc/14/95/54/323149554.db2.gz ZTEFCPCTJDREMY-ZETCQYMHSA-N 1 2 238.295 0.259 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3CCC3)C[C@@H]21 ZINC000152271367 323158234 /nfs/dbraw/zinc/15/82/34/323158234.db2.gz VMJJGSGHTQEJCH-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3CCC3)C[C@@H]21 ZINC000152271367 323158235 /nfs/dbraw/zinc/15/82/35/323158235.db2.gz VMJJGSGHTQEJCH-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000535075182 323165708 /nfs/dbraw/zinc/16/57/08/323165708.db2.gz WHIMYCPVIUVATI-RKDXNWHRSA-N 1 2 227.264 0.214 20 0 BCADLO COC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000535075182 323165709 /nfs/dbraw/zinc/16/57/09/323165709.db2.gz WHIMYCPVIUVATI-RKDXNWHRSA-N 1 2 227.264 0.214 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000305096618 323167163 /nfs/dbraw/zinc/16/71/63/323167163.db2.gz UEGPFMIOUQZISP-MWLCHTKSSA-N 1 2 215.293 0.689 20 0 BCADLO c1cn(C2CN(c3ncnc4n[nH]cc43)C2)c[nH+]1 ZINC000532088611 323174521 /nfs/dbraw/zinc/17/45/21/323174521.db2.gz XDEUTOLSLZRHMI-UHFFFAOYSA-N 1 2 241.258 0.611 20 0 BCADLO Cn1cc[nH+]c1CN1CCn2nncc2C1 ZINC000563724323 323175878 /nfs/dbraw/zinc/17/58/78/323175878.db2.gz KVGTWKXKPHJCAU-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCn2nncc2C1 ZINC000563724323 323175879 /nfs/dbraw/zinc/17/58/79/323175879.db2.gz KVGTWKXKPHJCAU-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1ccnc1C[N@H+]1CCn2nncc2C1 ZINC000563724323 323175880 /nfs/dbraw/zinc/17/58/80/323175880.db2.gz KVGTWKXKPHJCAU-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CNC(=O)CC[NH2+]C1(C(=O)OC)CCCC1 ZINC000133805974 323176508 /nfs/dbraw/zinc/17/65/08/323176508.db2.gz OFBVJXZSCJFFFA-UHFFFAOYSA-N 1 2 228.292 0.198 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@H]1CCOC1 ZINC000563780537 323177639 /nfs/dbraw/zinc/17/76/39/323177639.db2.gz XUZKACDULSHMJL-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000563780537 323177640 /nfs/dbraw/zinc/17/76/40/323177640.db2.gz XUZKACDULSHMJL-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2cc(C)on2)C1 ZINC000563820104 323179239 /nfs/dbraw/zinc/17/92/39/323179239.db2.gz CPVCZWNRGCPRQD-MRVPVSSYSA-N 1 2 223.276 0.864 20 0 BCADLO Cc1nc(NC(=O)[C@H]2C[N@H+](C)CCO2)cs1 ZINC000535728364 323189474 /nfs/dbraw/zinc/18/94/74/323189474.db2.gz APQFKEFXCDFIMB-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1nc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cs1 ZINC000535728364 323189475 /nfs/dbraw/zinc/18/94/75/323189475.db2.gz APQFKEFXCDFIMB-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO CCS(=O)(=O)N1CC[NH+](CC=C(C)C)CC1 ZINC000052113824 323192437 /nfs/dbraw/zinc/19/24/37/323192437.db2.gz AMTIBOLTNZWQSV-UHFFFAOYSA-N 1 2 246.376 0.920 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H](CO)C1 ZINC000528391587 323196696 /nfs/dbraw/zinc/19/66/96/323196696.db2.gz AFJCRNHPROLTJN-JWNFGPPVSA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCO[C@H](CO)C1 ZINC000528391587 323196697 /nfs/dbraw/zinc/19/66/97/323196697.db2.gz AFJCRNHPROLTJN-JWNFGPPVSA-N 1 2 205.685 0.822 20 0 BCADLO Cc1cc(NC(=O)N2CCNC(=O)C2)c(C)c[nH+]1 ZINC000536621231 323198845 /nfs/dbraw/zinc/19/88/45/323198845.db2.gz UBSVBLQHBUJSDV-UHFFFAOYSA-N 1 2 248.286 0.084 20 0 BCADLO Cn1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000532167715 323208272 /nfs/dbraw/zinc/20/82/72/323208272.db2.gz JBHDUGZWRPWATI-UHFFFAOYSA-N 1 2 230.271 0.919 20 0 BCADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCO1 ZINC000532287107 323213542 /nfs/dbraw/zinc/21/35/42/323213542.db2.gz OWVXOMCGVVDWFE-GFCCVEGCSA-N 1 2 235.287 0.836 20 0 BCADLO O=C(NCCO)NCCCNc1cccc[nH+]1 ZINC000042874169 323252633 /nfs/dbraw/zinc/25/26/33/323252633.db2.gz MGAVHJFFEOXOMC-UHFFFAOYSA-N 1 2 238.291 0.175 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000527002171 323310841 /nfs/dbraw/zinc/31/08/41/323310841.db2.gz PGEUHCQSEIRCIX-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCn1cncn1)C(C)C ZINC000309211626 323329280 /nfs/dbraw/zinc/32/92/80/323329280.db2.gz OCJGUUWIJAXBLY-VIFPVBQESA-N 1 2 226.280 0.065 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@H]1CCOC1)C2 ZINC000563947446 323329548 /nfs/dbraw/zinc/32/95/48/323329548.db2.gz YFQFPIHOQOXWQH-NSHDSACASA-N 1 2 219.288 0.932 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@H]1CCOC1)C2 ZINC000563947446 323329550 /nfs/dbraw/zinc/32/95/50/323329550.db2.gz YFQFPIHOQOXWQH-NSHDSACASA-N 1 2 219.288 0.932 20 0 BCADLO CCNC(=O)C1CN(c2nc(C)[nH+]cc2C)C1 ZINC000571821544 323487038 /nfs/dbraw/zinc/48/70/38/323487038.db2.gz VVQSTJXMAKWXBO-UHFFFAOYSA-N 1 2 234.303 0.666 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CCCC1 ZINC000572069521 323532274 /nfs/dbraw/zinc/53/22/74/323532274.db2.gz GNTHFKOGOOLUNT-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO CN(C(=O)[C@H]([NH3+])c1cscn1)[C@H]1CCOC1 ZINC000572355539 323606620 /nfs/dbraw/zinc/60/66/20/323606620.db2.gz YSOITRFKQUFNQV-IONNQARKSA-N 1 2 241.316 0.390 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000572452968 323638514 /nfs/dbraw/zinc/63/85/14/323638514.db2.gz VROXXEHKWBFAQL-RYUDHWBXSA-N 1 2 249.314 0.768 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@](C)(C(N)=O)C1 ZINC000527998366 323734456 /nfs/dbraw/zinc/73/44/56/323734456.db2.gz YOEZAFWNGVZGBC-LBPRGKRZSA-N 1 2 235.287 0.792 20 0 BCADLO C[C@@H](O)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667249907 487962244 /nfs/dbraw/zinc/96/22/44/487962244.db2.gz CILUBMRVXRFSGO-HTQZYQBOSA-N 1 2 226.280 0.161 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CC1CC1 ZINC000121584795 324017410 /nfs/dbraw/zinc/01/74/10/324017410.db2.gz XJMBKSCWXBENGF-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO CO[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000060408438 324033767 /nfs/dbraw/zinc/03/37/67/324033767.db2.gz IDOZEWFCYZGVJV-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000122655185 324052801 /nfs/dbraw/zinc/05/28/01/324052801.db2.gz AUIZVSQXBZNYON-DTWKUNHWSA-N 1 2 201.266 0.564 20 0 BCADLO C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCNC1=O ZINC000537695072 324097832 /nfs/dbraw/zinc/09/78/32/324097832.db2.gz YDGHKHLWMAQDDG-SNVBAGLBSA-N 1 2 224.260 0.092 20 0 BCADLO C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCNC1=O ZINC000537695072 324097835 /nfs/dbraw/zinc/09/78/35/324097835.db2.gz YDGHKHLWMAQDDG-SNVBAGLBSA-N 1 2 224.260 0.092 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@](C)(O)C1CC1 ZINC000572505578 324136302 /nfs/dbraw/zinc/13/63/02/324136302.db2.gz VYQGKEILZVWHRR-GFCCVEGCSA-N 1 2 237.303 0.240 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cc(C)n(C)n1 ZINC000487406610 324153871 /nfs/dbraw/zinc/15/38/71/324153871.db2.gz KPNKKZAJOXPYIU-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cc(C)n(C)n1 ZINC000487406610 324153867 /nfs/dbraw/zinc/15/38/67/324153867.db2.gz KPNKKZAJOXPYIU-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CCn1ncc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000529593052 324356300 /nfs/dbraw/zinc/35/63/00/324356300.db2.gz ZTUNPWCUSIDXCG-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000529611431 324363867 /nfs/dbraw/zinc/36/38/67/324363867.db2.gz KXXLWURUPKMRCT-LBPRGKRZSA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000529611431 324363870 /nfs/dbraw/zinc/36/38/70/324363870.db2.gz KXXLWURUPKMRCT-LBPRGKRZSA-N 1 2 237.278 0.931 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCF)C1 ZINC000668581810 487963114 /nfs/dbraw/zinc/96/31/14/487963114.db2.gz LUBPMLUWJZLOQY-SNVBAGLBSA-N 1 2 231.315 0.098 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCF)C1 ZINC000668581810 487963118 /nfs/dbraw/zinc/96/31/18/487963118.db2.gz LUBPMLUWJZLOQY-SNVBAGLBSA-N 1 2 231.315 0.098 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC12CC(C1)CO2 ZINC000529870654 324422331 /nfs/dbraw/zinc/42/23/31/324422331.db2.gz YABFMLCFLVOVJT-UHFFFAOYSA-N 1 2 221.260 0.178 20 0 BCADLO C[C@@H](NC(=O)NCCCO)c1[nH+]ccn1C ZINC000667257711 487963351 /nfs/dbraw/zinc/96/33/51/487963351.db2.gz SRWPHACYFILEGK-MRVPVSSYSA-N 1 2 226.280 0.163 20 0 BCADLO Cc1ncc([C@H](C)[N@@H+]2CCNC(=O)CC2)c(C)n1 ZINC000682439201 487965109 /nfs/dbraw/zinc/96/51/09/487965109.db2.gz OIWRFLKBPNLFGH-JTQLQIEISA-N 1 2 248.330 0.976 20 0 BCADLO Cc1ncc([C@H](C)[N@H+]2CCNC(=O)CC2)c(C)n1 ZINC000682439201 487965114 /nfs/dbraw/zinc/96/51/14/487965114.db2.gz OIWRFLKBPNLFGH-JTQLQIEISA-N 1 2 248.330 0.976 20 0 BCADLO Nc1ccc(CNc2cccnn2)c[nH+]1 ZINC000380222727 487965737 /nfs/dbraw/zinc/96/57/37/487965737.db2.gz JPIGLPJIGYKQIN-UHFFFAOYSA-N 1 2 201.233 0.488 20 0 BCADLO COC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000128984083 324903904 /nfs/dbraw/zinc/90/39/04/324903904.db2.gz CIYSLQRWICSWEX-SECBINFHSA-N 1 2 231.292 0.069 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146908 487966539 /nfs/dbraw/zinc/96/65/39/487966539.db2.gz VLFLKHFUJUYEKV-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CC1CC1 ZINC000540932851 324932436 /nfs/dbraw/zinc/93/24/36/324932436.db2.gz QLGFVDSYFFKTNM-UHFFFAOYSA-N 1 2 229.305 0.250 20 0 BCADLO CC(C)OCCC(=O)NCCc1c[nH+]cn1C ZINC000541551467 324964017 /nfs/dbraw/zinc/96/40/17/324964017.db2.gz AOCMFNUQSZFNBT-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO COC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000541961737 325001571 /nfs/dbraw/zinc/00/15/71/325001571.db2.gz KXEPQUHOONEBFW-UHFFFAOYSA-N 1 2 235.287 0.836 20 0 BCADLO CC1(C(=O)NCCCCn2cc[nH+]c2)COC1 ZINC000542082024 325007363 /nfs/dbraw/zinc/00/73/63/325007363.db2.gz BEMUYBIUMKMYOP-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)n(C)n1 ZINC000543412414 325086576 /nfs/dbraw/zinc/08/65/76/325086576.db2.gz XZFPYVXSZWXOQS-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cncc2nncn21 ZINC000543901346 325121736 /nfs/dbraw/zinc/12/17/36/325121736.db2.gz WATNXRQMWQQOPG-UHFFFAOYSA-N 1 2 243.274 0.494 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000544512212 325145245 /nfs/dbraw/zinc/14/52/45/325145245.db2.gz LSQTXEOLFTYZRZ-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CC[C@H](C)OCC(=O)NCC[NH+]1CCOCC1 ZINC000131573866 325165364 /nfs/dbraw/zinc/16/53/64/325165364.db2.gz JCVAGBDAAMXXJW-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000131736678 325179914 /nfs/dbraw/zinc/17/99/14/325179914.db2.gz UIOKHYQGNFTHSK-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000131736678 325179917 /nfs/dbraw/zinc/17/99/17/325179917.db2.gz UIOKHYQGNFTHSK-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1ccncc1N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000545243132 325200493 /nfs/dbraw/zinc/20/04/93/325200493.db2.gz GDKOMNIRIWLBKU-LBPRGKRZSA-N 1 2 249.314 0.683 20 0 BCADLO Cc1ccncc1N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000545243132 325200497 /nfs/dbraw/zinc/20/04/97/325200497.db2.gz GDKOMNIRIWLBKU-LBPRGKRZSA-N 1 2 249.314 0.683 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000132454203 325217679 /nfs/dbraw/zinc/21/76/79/325217679.db2.gz WPUHYMZKOOSSJY-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000132454203 325217684 /nfs/dbraw/zinc/21/76/84/325217684.db2.gz WPUHYMZKOOSSJY-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO O=C([C@H]1C[C@]12CCOC2)N1CC(n2cc[nH+]c2)C1 ZINC000545895026 325243458 /nfs/dbraw/zinc/24/34/58/325243458.db2.gz LXOQSEWSAPWLOZ-YPMHNXCESA-N 1 2 247.298 0.693 20 0 BCADLO O=C([C@@H]1C[C@]12CCOC2)N1CC(n2cc[nH+]c2)C1 ZINC000545895023 325243778 /nfs/dbraw/zinc/24/37/78/325243778.db2.gz LXOQSEWSAPWLOZ-AAEUAGOBSA-N 1 2 247.298 0.693 20 0 BCADLO Cc1nnccc1NC(=O)NCCn1cc[nH+]c1 ZINC000546594225 325290123 /nfs/dbraw/zinc/29/01/23/325290123.db2.gz OSAXHHFXNNDNFM-UHFFFAOYSA-N 1 2 246.274 0.803 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccno1 ZINC000546640100 325297550 /nfs/dbraw/zinc/29/75/50/325297550.db2.gz QUAZGLAGZLXLPK-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccno1 ZINC000546640100 325297552 /nfs/dbraw/zinc/29/75/52/325297552.db2.gz QUAZGLAGZLXLPK-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO O=C(Nc1cncnc1)N1CCn2cc[nH+]c2C1 ZINC000547353588 325346382 /nfs/dbraw/zinc/34/63/82/325346382.db2.gz FTNAMHSHVDLLND-UHFFFAOYSA-N 1 2 244.258 0.721 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc[nH]n1 ZINC000547407152 325351521 /nfs/dbraw/zinc/35/15/21/325351521.db2.gz FQJMBXZXTCJAEG-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cc[nH]n1 ZINC000547407152 325351523 /nfs/dbraw/zinc/35/15/23/325351523.db2.gz FQJMBXZXTCJAEG-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc[nH]c1=O ZINC000134500195 325361893 /nfs/dbraw/zinc/36/18/93/325361893.db2.gz USUAVNWLTXCJBZ-UHFFFAOYSA-N 1 2 232.243 0.483 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1c[nH+]cn1C ZINC000547539434 325371214 /nfs/dbraw/zinc/37/12/14/325371214.db2.gz RRXZKCHOIBWDJP-VIFPVBQESA-N 1 2 225.292 0.240 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccncc1 ZINC000547540051 325371498 /nfs/dbraw/zinc/37/14/98/325371498.db2.gz APURLBIVPYZPQS-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccon1 ZINC000077286810 325372494 /nfs/dbraw/zinc/37/24/94/325372494.db2.gz TWZIHLSMXFEVQJ-UHFFFAOYSA-N 1 2 211.265 0.631 20 0 BCADLO O=C(NCCCF)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547627587 325376103 /nfs/dbraw/zinc/37/61/03/325376103.db2.gz UKLRBJKOZJAJHU-VIFPVBQESA-N 1 2 240.282 0.857 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nccc(N)n1 ZINC000135100859 325393215 /nfs/dbraw/zinc/39/32/15/325393215.db2.gz PXOMDCCUZAAKEU-MRVPVSSYSA-N 1 2 210.281 0.262 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nccc(N)n1 ZINC000135100859 325393216 /nfs/dbraw/zinc/39/32/16/325393216.db2.gz PXOMDCCUZAAKEU-MRVPVSSYSA-N 1 2 210.281 0.262 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660381319 487967349 /nfs/dbraw/zinc/96/73/49/487967349.db2.gz MCXLVCFMNXXOKO-FOGDFJRCSA-N 1 2 238.335 0.829 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1cnn[nH]1 ZINC000660381319 487967353 /nfs/dbraw/zinc/96/73/53/487967353.db2.gz MCXLVCFMNXXOKO-FOGDFJRCSA-N 1 2 238.335 0.829 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccncn1 ZINC000548308522 325447093 /nfs/dbraw/zinc/44/70/93/325447093.db2.gz VCUQXSZHDZDNTF-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccco1 ZINC000548520135 325465859 /nfs/dbraw/zinc/46/58/59/325465859.db2.gz PSGASEHTMSYDOP-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccncc1 ZINC000548520156 325465976 /nfs/dbraw/zinc/46/59/76/325465976.db2.gz VTSIEOOISRXLTE-UHFFFAOYSA-N 1 2 216.244 0.418 20 0 BCADLO CCOC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000136719261 325466837 /nfs/dbraw/zinc/46/68/37/325466837.db2.gz SWEVGECISMLTLH-UHFFFAOYSA-N 1 2 246.307 0.379 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548586415 325467695 /nfs/dbraw/zinc/46/76/95/325467695.db2.gz KIWNOTLVQPWQMN-GXSJLCMTSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)COc1cnn(C)c1 ZINC000548798164 325485300 /nfs/dbraw/zinc/48/53/00/325485300.db2.gz ZPEQNMCOVHDJMX-UHFFFAOYSA-N 1 2 246.270 0.563 20 0 BCADLO CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000548807827 325485713 /nfs/dbraw/zinc/48/57/13/325485713.db2.gz IYWHUCUJXXXYOS-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)Cn1cc[nH+]c1 ZINC000549708830 325512813 /nfs/dbraw/zinc/51/28/13/325512813.db2.gz CUJUKQIWCLYCEU-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO O=C(Cn1cccn1)NCCCn1cc[nH+]c1 ZINC000082267971 325535029 /nfs/dbraw/zinc/53/50/29/325535029.db2.gz QWBPPHVBBFOAFK-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO Cc1noc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000553095372 325676762 /nfs/dbraw/zinc/67/67/62/325676762.db2.gz SURUANHAADMXEI-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO CC[C@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553493062 325694118 /nfs/dbraw/zinc/69/41/18/325694118.db2.gz PFGDWDLBMXZJDM-LBPRGKRZSA-N 1 2 228.336 0.605 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572540862 325702540 /nfs/dbraw/zinc/70/25/40/325702540.db2.gz LGHYBPKWRMPKGC-ZDUSSCGKSA-N 1 2 242.363 0.851 20 0 BCADLO Cc1ccnc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000555204241 325749195 /nfs/dbraw/zinc/74/91/95/325749195.db2.gz JSZXOIHBKIYLLY-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CNC(=O)CCN(C)c1nc(C)[nH+]cc1C ZINC000564474522 325794302 /nfs/dbraw/zinc/79/43/02/325794302.db2.gz SXOCVFDYRZXKIC-UHFFFAOYSA-N 1 2 222.292 0.666 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000565575509 325929467 /nfs/dbraw/zinc/92/94/67/325929467.db2.gz YTLSJTMPEKWQPZ-ZJUUUORDSA-N 1 2 238.291 0.360 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](O)C(F)F ZINC000566015044 325984237 /nfs/dbraw/zinc/98/42/37/325984237.db2.gz FXTQEDBDGWCSRR-APPZFPTMSA-N 1 2 247.245 0.404 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CO1 ZINC000566146786 326002516 /nfs/dbraw/zinc/00/25/16/326002516.db2.gz GIFOVZZKBMBBNQ-ZJUUUORDSA-N 1 2 238.291 0.360 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CO1 ZINC000566146784 326002549 /nfs/dbraw/zinc/00/25/49/326002549.db2.gz GIFOVZZKBMBBNQ-VHSXEESVSA-N 1 2 238.291 0.360 20 0 BCADLO CCn1ccc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000566262423 326026099 /nfs/dbraw/zinc/02/60/99/326026099.db2.gz SIVJIPZNYLUFBG-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccn(C)n1 ZINC000566446547 326048720 /nfs/dbraw/zinc/04/87/20/326048720.db2.gz LWLXVUPODKNKRQ-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccn(C)n1 ZINC000566446547 326048722 /nfs/dbraw/zinc/04/87/22/326048722.db2.gz LWLXVUPODKNKRQ-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566445214 326049111 /nfs/dbraw/zinc/04/91/11/326049111.db2.gz PDFHHXUOGSKOTF-CYBMUJFWSA-N 1 2 242.363 0.851 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000566468364 326052084 /nfs/dbraw/zinc/05/20/84/326052084.db2.gz KZXDYBIZRXEXIO-VIFPVBQESA-N 1 2 225.292 0.944 20 0 BCADLO C[C@@H](NC(=O)COc1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000566471464 326052636 /nfs/dbraw/zinc/05/26/36/326052636.db2.gz VVOAWTBMCXTCTF-MRVPVSSYSA-N 1 2 249.274 0.399 20 0 BCADLO Cn1cc(NC(=O)C[NH+]2CC(C)(C)C2)nn1 ZINC000566628583 326070215 /nfs/dbraw/zinc/07/02/15/326070215.db2.gz HMCLFRIJVVOZBP-UHFFFAOYSA-N 1 2 223.280 0.095 20 0 BCADLO COCC1=CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000566638531 326070598 /nfs/dbraw/zinc/07/05/98/326070598.db2.gz AHUJQDVOFFAAKB-UHFFFAOYSA-N 1 2 249.314 0.768 20 0 BCADLO Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000566652854 326071312 /nfs/dbraw/zinc/07/13/12/326071312.db2.gz OHVNEXZGXKXXRD-VIFPVBQESA-N 1 2 247.302 0.802 20 0 BCADLO CC(=O)NCCN(C)c1nc(C)[nH+]cc1C ZINC000566689713 326075455 /nfs/dbraw/zinc/07/54/55/326075455.db2.gz UDTUYGBXTXNAAE-UHFFFAOYSA-N 1 2 222.292 0.666 20 0 BCADLO COCC1(C[N@@H+]2CCn3nncc3C2)CCC1 ZINC000566745907 326079845 /nfs/dbraw/zinc/07/98/45/326079845.db2.gz NKPOJDBZBQPEAY-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COCC1(C[N@H+]2CCn3nncc3C2)CCC1 ZINC000566745907 326079846 /nfs/dbraw/zinc/07/98/46/326079846.db2.gz NKPOJDBZBQPEAY-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000567012545 326101138 /nfs/dbraw/zinc/10/11/38/326101138.db2.gz XEQFEWHUEOYLOZ-YUSALJHKSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](C(=O)Nc1nn[nH]n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153776912 326112626 /nfs/dbraw/zinc/11/26/26/326112626.db2.gz VUCIHAQQACBNSW-RNJXMRFFSA-N 1 2 238.295 0.400 20 0 BCADLO C[C@@H](C(=O)Nc1nn[nH]n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153776912 326112630 /nfs/dbraw/zinc/11/26/30/326112630.db2.gz VUCIHAQQACBNSW-RNJXMRFFSA-N 1 2 238.295 0.400 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1(C(=O)OC)CC1)C(C)C ZINC000567190520 326132686 /nfs/dbraw/zinc/13/26/86/326132686.db2.gz XDIIUDRZKJVZKS-SECBINFHSA-N 1 2 243.303 0.727 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCCO)C1CC1 ZINC000308578551 326135765 /nfs/dbraw/zinc/13/57/65/326135765.db2.gz FNGIQPPLMRMEFH-JTQLQIEISA-N 1 2 201.266 0.300 20 0 BCADLO C[C@@H](C(=O)N1C2CCC1CC2)[NH+]1CCOCC1 ZINC000567246199 326149418 /nfs/dbraw/zinc/14/94/18/326149418.db2.gz INQCLDSBWRDLCH-UNXYVOJBSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000567359037 326173775 /nfs/dbraw/zinc/17/37/75/326173775.db2.gz GYDKRWIBPUSNHA-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO CS[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000155101283 326185063 /nfs/dbraw/zinc/18/50/63/326185063.db2.gz GETATCQHGVLNGZ-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CN(Cc1ccc[nH]1)C(=O)Cn1cc[nH+]c1 ZINC000567437383 326190396 /nfs/dbraw/zinc/19/03/96/326190396.db2.gz REDMDCMOJYRMCS-UHFFFAOYSA-N 1 2 218.260 0.870 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000567536261 326212171 /nfs/dbraw/zinc/21/21/71/326212171.db2.gz ISVMWJATJROHJH-WCQYABFASA-N 1 2 249.314 0.646 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCCC1 ZINC000156086820 326218966 /nfs/dbraw/zinc/21/89/66/326218966.db2.gz WLMRSIVRFQLHAM-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCCC1 ZINC000156086820 326218969 /nfs/dbraw/zinc/21/89/69/326218969.db2.gz WLMRSIVRFQLHAM-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](C)C(N)=O)c(C)c[nH+]1 ZINC000567567135 326219044 /nfs/dbraw/zinc/21/90/44/326219044.db2.gz VWTVSZFCVPMPAA-QMMMGPOBSA-N 1 2 236.275 0.116 20 0 BCADLO Cc1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)no1 ZINC000567582030 326222309 /nfs/dbraw/zinc/22/23/09/326222309.db2.gz ZICWBBSUPFRBDE-QMMMGPOBSA-N 1 2 232.305 0.506 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N(C)C)[C@H]1C ZINC000156272777 326225912 /nfs/dbraw/zinc/22/59/12/326225912.db2.gz IFUMQRKINSASTQ-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N(C)C)[C@H]1C ZINC000156272777 326225913 /nfs/dbraw/zinc/22/59/13/326225913.db2.gz IFUMQRKINSASTQ-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000567611311 326228423 /nfs/dbraw/zinc/22/84/23/326228423.db2.gz XNGIWGDKBWMUTK-VXNVDRBHSA-N 1 2 243.332 0.420 20 0 BCADLO CSC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000567612998 326228906 /nfs/dbraw/zinc/22/89/06/326228906.db2.gz IIBYLXAUQNLRBN-NKWVEPMBSA-N 1 2 229.292 0.316 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CO[C@H](C)C1 ZINC000567615663 326230102 /nfs/dbraw/zinc/23/01/02/326230102.db2.gz CKQRJEURLARHJU-VXNVDRBHSA-N 1 2 223.276 0.554 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000567659693 326240326 /nfs/dbraw/zinc/24/03/26/326240326.db2.gz UZNNCHNVNJHABJ-SNVBAGLBSA-N 1 2 245.286 0.280 20 0 BCADLO CC(C)CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000156712583 326240642 /nfs/dbraw/zinc/24/06/42/326240642.db2.gz XCFFSZUMRWLGNP-QWRGUYRKSA-N 1 2 241.335 0.367 20 0 BCADLO CC(C)CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000156712583 326240643 /nfs/dbraw/zinc/24/06/43/326240643.db2.gz XCFFSZUMRWLGNP-QWRGUYRKSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)[C@H](C)O ZINC000567686060 326245373 /nfs/dbraw/zinc/24/53/73/326245373.db2.gz VRMRQVWWMKQAHR-RQJHMYQMSA-N 1 2 211.265 0.806 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)C(=O)N1 ZINC000567747923 326254414 /nfs/dbraw/zinc/25/44/14/326254414.db2.gz DUESUHOPYJCMOZ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)C(=O)N1 ZINC000567747923 326254415 /nfs/dbraw/zinc/25/44/15/326254415.db2.gz DUESUHOPYJCMOZ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCC(=O)C1 ZINC000567954681 326287789 /nfs/dbraw/zinc/28/77/89/326287789.db2.gz JZSGFUIGOKRQCL-VIFPVBQESA-N 1 2 235.287 0.888 20 0 BCADLO Cc1cc[nH+]c(N2CCC[N@H+](CC(=O)[O-])CC2)c1 ZINC000567984990 326291450 /nfs/dbraw/zinc/29/14/50/326291450.db2.gz GMHAGCSQWXNVKE-UHFFFAOYSA-N 1 2 249.314 0.987 20 0 BCADLO Cc1cc[nH+]c(N2CCC[N@@H+](CC(=O)[O-])CC2)c1 ZINC000567984990 326291451 /nfs/dbraw/zinc/29/14/51/326291451.db2.gz GMHAGCSQWXNVKE-UHFFFAOYSA-N 1 2 249.314 0.987 20 0 BCADLO CCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568014977 326296167 /nfs/dbraw/zinc/29/61/67/326296167.db2.gz UNYBVDNMWJMLOW-SNVBAGLBSA-N 1 2 225.292 0.675 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1nnc(C2CC2)[nH]1 ZINC000568068522 326303525 /nfs/dbraw/zinc/30/35/25/326303525.db2.gz LFKHLLVDAAJCSM-UHFFFAOYSA-N 1 2 246.274 0.195 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1n[nH]c(C2CC2)n1 ZINC000568068522 326303528 /nfs/dbraw/zinc/30/35/28/326303528.db2.gz LFKHLLVDAAJCSM-UHFFFAOYSA-N 1 2 246.274 0.195 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568106418 326309024 /nfs/dbraw/zinc/30/90/24/326309024.db2.gz PTEAXCDFGIZAAZ-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568106418 326309027 /nfs/dbraw/zinc/30/90/27/326309027.db2.gz PTEAXCDFGIZAAZ-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCc3sccc3C2)C(=O)N1 ZINC000568162083 326316406 /nfs/dbraw/zinc/31/64/06/326316406.db2.gz NXDAZMIRVOLNFK-QMMMGPOBSA-N 1 2 236.296 0.521 20 0 BCADLO O=C1C[C@H]([N@H+]2CCc3sccc3C2)C(=O)N1 ZINC000568162083 326316407 /nfs/dbraw/zinc/31/64/07/326316407.db2.gz NXDAZMIRVOLNFK-QMMMGPOBSA-N 1 2 236.296 0.521 20 0 BCADLO CO[C@@H]1COC[C@@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000568273804 326337142 /nfs/dbraw/zinc/33/71/42/326337142.db2.gz ZVWDKDGFGAPFCY-VHSXEESVSA-N 1 2 225.292 0.530 20 0 BCADLO OC[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000568339660 326345338 /nfs/dbraw/zinc/34/53/38/326345338.db2.gz BCYPFAYGXCUGLD-SKDRFNHKSA-N 1 2 247.298 0.742 20 0 BCADLO OC[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000568339658 326345340 /nfs/dbraw/zinc/34/53/40/326345340.db2.gz BCYPFAYGXCUGLD-CABZTGNLSA-N 1 2 247.298 0.742 20 0 BCADLO COc1ncccc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000568622761 326368025 /nfs/dbraw/zinc/36/80/25/326368025.db2.gz FXWYUYFQPMYWDB-UHFFFAOYSA-N 1 2 235.287 0.397 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)Cn1cncn1 ZINC000568663996 326371990 /nfs/dbraw/zinc/37/19/90/326371990.db2.gz JVFWHCNUSYJGNB-ZETCQYMHSA-N 1 2 249.278 0.160 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)Cn1cncn1 ZINC000568663996 326371991 /nfs/dbraw/zinc/37/19/91/326371991.db2.gz JVFWHCNUSYJGNB-ZETCQYMHSA-N 1 2 249.278 0.160 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCCOC(F)F ZINC000568666979 326372012 /nfs/dbraw/zinc/37/20/12/326372012.db2.gz HBNZVINSQPBLKO-UHFFFAOYSA-N 1 2 247.245 0.708 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CCO)c1ccco1 ZINC000568695584 326372580 /nfs/dbraw/zinc/37/25/80/326372580.db2.gz SKBATCXPGCZPCQ-SNVBAGLBSA-N 1 2 249.270 0.716 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@H]1CC(=O)NC1=O ZINC000569017576 326386989 /nfs/dbraw/zinc/38/69/89/326386989.db2.gz MIJWRHCZHGVJQY-VIFPVBQESA-N 1 2 222.244 0.435 20 0 BCADLO Cc1occc1C[N@H+](C)[C@H]1CC(=O)NC1=O ZINC000569017576 326386990 /nfs/dbraw/zinc/38/69/90/326386990.db2.gz MIJWRHCZHGVJQY-VIFPVBQESA-N 1 2 222.244 0.435 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@@H]1CC(=O)NC1=O ZINC000569017575 326387031 /nfs/dbraw/zinc/38/70/31/326387031.db2.gz MIJWRHCZHGVJQY-SECBINFHSA-N 1 2 222.244 0.435 20 0 BCADLO Cc1occc1C[N@H+](C)[C@@H]1CC(=O)NC1=O ZINC000569017575 326387033 /nfs/dbraw/zinc/38/70/33/326387033.db2.gz MIJWRHCZHGVJQY-SECBINFHSA-N 1 2 222.244 0.435 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000569065550 326388202 /nfs/dbraw/zinc/38/82/02/326388202.db2.gz QKAPVDRUCWBMGV-UHFFFAOYSA-N 1 2 239.275 0.445 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000569065550 326388203 /nfs/dbraw/zinc/38/82/03/326388203.db2.gz QKAPVDRUCWBMGV-UHFFFAOYSA-N 1 2 239.275 0.445 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)no1 ZINC000569119146 326391477 /nfs/dbraw/zinc/39/14/77/326391477.db2.gz YVDQDVFDTZHOBC-HTQZYQBOSA-N 1 2 225.292 0.881 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682513195 487974166 /nfs/dbraw/zinc/97/41/66/487974166.db2.gz UYCSTVWOFRGRDH-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1cc(NC(=O)CNC(=O)C2CC2)cc[nH+]1 ZINC000073755156 487975999 /nfs/dbraw/zinc/97/59/99/487975999.db2.gz JBKHJOXVSGHQDK-UHFFFAOYSA-N 1 2 233.271 0.855 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@H](O)CC(F)(F)C1 ZINC000682543738 487981998 /nfs/dbraw/zinc/98/19/98/487981998.db2.gz KSACYCPPBPINBK-MRVPVSSYSA-N 1 2 231.246 0.622 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCn2cc(C)nc2C1 ZINC000653612522 487982445 /nfs/dbraw/zinc/98/24/45/487982445.db2.gz UAIINXXEIJGNKF-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO CNC(=O)CCC[N@H+]1CCn2cc(C)nc2C1 ZINC000653612522 487982449 /nfs/dbraw/zinc/98/24/49/487982449.db2.gz UAIINXXEIJGNKF-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO O=S(=O)(C[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081894 487998140 /nfs/dbraw/zinc/99/81/40/487998140.db2.gz BWCDKICSEAMJBH-VIFPVBQESA-N 1 2 245.304 0.008 20 0 BCADLO O=S(=O)(C[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081894 487998145 /nfs/dbraw/zinc/99/81/45/487998145.db2.gz BWCDKICSEAMJBH-VIFPVBQESA-N 1 2 245.304 0.008 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000668604877 487998649 /nfs/dbraw/zinc/99/86/49/487998649.db2.gz VQANDJNGPRCTTD-DTWKUNHWSA-N 1 2 223.276 0.841 20 0 BCADLO CCn1cnc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000668605289 487999338 /nfs/dbraw/zinc/99/93/38/487999338.db2.gz JSSDXUVRFOCPDD-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO CCN1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000677196785 488000458 /nfs/dbraw/zinc/00/04/58/488000458.db2.gz VRACCOMRZKADPQ-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000677196785 488000467 /nfs/dbraw/zinc/00/04/67/488000467.db2.gz VRACCOMRZKADPQ-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO COc1cc(C[N@@H+]2CCOC[C@H](O)C2)sn1 ZINC000401056221 488005342 /nfs/dbraw/zinc/00/53/42/488005342.db2.gz RYAGDFVKMZRIIF-MRVPVSSYSA-N 1 2 244.316 0.345 20 0 BCADLO COc1cc(C[N@H+]2CCOC[C@H](O)C2)sn1 ZINC000401056221 488005350 /nfs/dbraw/zinc/00/53/50/488005350.db2.gz RYAGDFVKMZRIIF-MRVPVSSYSA-N 1 2 244.316 0.345 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C(C)(C)O)c[nH+]1 ZINC000677293560 488006811 /nfs/dbraw/zinc/00/68/11/488006811.db2.gz NXDXWOBVZYRFEV-LURJTMIESA-N 1 2 211.265 0.607 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(N)=O)CC2 ZINC000074450698 488007216 /nfs/dbraw/zinc/00/72/16/488007216.db2.gz ZMHQMWKSGQBRHO-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO COc1cccc2c1C[N@H+]([C@@H](C)C(N)=O)CC2 ZINC000074450698 488007221 /nfs/dbraw/zinc/00/72/21/488007221.db2.gz ZMHQMWKSGQBRHO-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000682673982 488011173 /nfs/dbraw/zinc/01/11/73/488011173.db2.gz ZJSNVDXAZDNMAG-JTQLQIEISA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000682673982 488011177 /nfs/dbraw/zinc/01/11/77/488011177.db2.gz ZJSNVDXAZDNMAG-JTQLQIEISA-N 1 2 227.308 0.627 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(F)F ZINC000293252937 488012460 /nfs/dbraw/zinc/01/24/60/488012460.db2.gz PGHLFJQPIPKJDA-UHFFFAOYSA-N 1 2 203.192 0.990 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000666449892 488015527 /nfs/dbraw/zinc/01/55/27/488015527.db2.gz JPRJHMVBETWGNY-UKKRHICBSA-N 1 2 235.287 0.280 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667471966 488017319 /nfs/dbraw/zinc/01/73/19/488017319.db2.gz RUSRQPAQQXTADE-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682688444 488017498 /nfs/dbraw/zinc/01/74/98/488017498.db2.gz ZDDYUPWBCGLGEB-OUAUKWLOSA-N 1 2 249.314 0.427 20 0 BCADLO COC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000682692278 488019227 /nfs/dbraw/zinc/01/92/27/488019227.db2.gz FSJRWLYYNYOXIO-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO COC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000682692278 488019231 /nfs/dbraw/zinc/01/92/31/488019231.db2.gz FSJRWLYYNYOXIO-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO C=C/C(C)=C/CC(=O)NCC[NH+]1CCOCC1 ZINC000682692268 488019030 /nfs/dbraw/zinc/01/90/30/488019030.db2.gz DFHRCAICVHFCDW-UUILKARUSA-N 1 2 238.331 0.957 20 0 BCADLO OC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667479540 488022536 /nfs/dbraw/zinc/02/25/36/488022536.db2.gz IPRCPOKHRQUULH-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1CC ZINC000417763733 488022684 /nfs/dbraw/zinc/02/26/84/488022684.db2.gz KZDJQIJXLXXKOH-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1[nH+]cc(CN2CCCOCC2)n1C ZINC000667532389 488040737 /nfs/dbraw/zinc/04/07/37/488040737.db2.gz KWMCZMFCSKYUDX-UHFFFAOYSA-N 1 2 209.293 0.951 20 0 BCADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000682783652 488040985 /nfs/dbraw/zinc/04/09/85/488040985.db2.gz IERQGFWYRVRFLG-VXGBXAGGSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000682783652 488040992 /nfs/dbraw/zinc/04/09/92/488040992.db2.gz IERQGFWYRVRFLG-VXGBXAGGSA-N 1 2 249.314 0.980 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000677474132 488045679 /nfs/dbraw/zinc/04/56/79/488045679.db2.gz ZODBNGVAYWDEAV-QMMMGPOBSA-N 1 2 223.276 0.396 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000677474132 488045685 /nfs/dbraw/zinc/04/56/85/488045685.db2.gz ZODBNGVAYWDEAV-QMMMGPOBSA-N 1 2 223.276 0.396 20 0 BCADLO CCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000084357854 488046271 /nfs/dbraw/zinc/04/62/71/488046271.db2.gz ULKUFTCAIKBHEX-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000514948016 488048573 /nfs/dbraw/zinc/04/85/73/488048573.db2.gz QWSQDOHNQUOIRK-LBPRGKRZSA-N 1 2 234.303 0.275 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000514948016 488048576 /nfs/dbraw/zinc/04/85/76/488048576.db2.gz QWSQDOHNQUOIRK-LBPRGKRZSA-N 1 2 234.303 0.275 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cnns2)C1 ZINC000401703307 488049274 /nfs/dbraw/zinc/04/92/74/488049274.db2.gz BJMGRSXQYLODDQ-SNVBAGLBSA-N 1 2 243.332 0.511 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cnns2)C1 ZINC000401703307 488049277 /nfs/dbraw/zinc/04/92/77/488049277.db2.gz BJMGRSXQYLODDQ-SNVBAGLBSA-N 1 2 243.332 0.511 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000526013083 488049902 /nfs/dbraw/zinc/04/99/02/488049902.db2.gz HNLBLHXPILZKSE-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000526013083 488049909 /nfs/dbraw/zinc/04/99/09/488049909.db2.gz HNLBLHXPILZKSE-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CCc2ccccn2)C1=O ZINC000682842564 488052340 /nfs/dbraw/zinc/05/23/40/488052340.db2.gz MVNJSQQWYNFYQO-LBPRGKRZSA-N 1 2 249.314 0.718 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CCc2ccccn2)C1=O ZINC000682842564 488052344 /nfs/dbraw/zinc/05/23/44/488052344.db2.gz MVNJSQQWYNFYQO-LBPRGKRZSA-N 1 2 249.314 0.718 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1c[nH+]cn1CC ZINC000669491668 488053884 /nfs/dbraw/zinc/05/38/84/488053884.db2.gz CHEMREIJEWOJGY-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000677510771 488060921 /nfs/dbraw/zinc/06/09/21/488060921.db2.gz LAAWPOYCLVDTKR-SECBINFHSA-N 1 2 245.286 0.591 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCNC2=O)cc[nH+]1 ZINC000677510964 488060934 /nfs/dbraw/zinc/06/09/34/488060934.db2.gz NSGWHFPIEVMPHK-MRVPVSSYSA-N 1 2 206.249 0.110 20 0 BCADLO COC1(CO)CC[NH+](Cc2coc(C)n2)CC1 ZINC000401754070 488063137 /nfs/dbraw/zinc/06/31/37/488063137.db2.gz PSMPTMLCMVYGPD-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@@](C)(CO)CNc1nc[nH+]c(N)c1Cl ZINC000656206286 488068495 /nfs/dbraw/zinc/06/84/95/488068495.db2.gz DMLGTNLYWBKJLD-SECBINFHSA-N 1 2 246.698 0.522 20 0 BCADLO CO[C@@](C)(CO)CNc1[nH+]cnc(N)c1Cl ZINC000656206286 488068498 /nfs/dbraw/zinc/06/84/98/488068498.db2.gz DMLGTNLYWBKJLD-SECBINFHSA-N 1 2 246.698 0.522 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000401848620 488070399 /nfs/dbraw/zinc/07/03/99/488070399.db2.gz BYZXOQWDVZJWIN-NSHDSACASA-N 1 2 240.307 0.086 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000401848620 488070404 /nfs/dbraw/zinc/07/04/04/488070404.db2.gz BYZXOQWDVZJWIN-NSHDSACASA-N 1 2 240.307 0.086 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ncn1 ZINC000677554031 488071251 /nfs/dbraw/zinc/07/12/51/488071251.db2.gz LPJSOYBQMMERPK-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ncn1 ZINC000677554031 488071255 /nfs/dbraw/zinc/07/12/55/488071255.db2.gz LPJSOYBQMMERPK-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682491504 488071761 /nfs/dbraw/zinc/07/17/61/488071761.db2.gz HBPNDBJBPOWQOQ-ZJUUUORDSA-N 1 2 223.276 0.427 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)[C@H]1C[N@H+](C)CCO1 ZINC000677583005 488079532 /nfs/dbraw/zinc/07/95/32/488079532.db2.gz SOSVEYOLKKLMTE-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)[C@H]1C[N@@H+](C)CCO1 ZINC000677583005 488079535 /nfs/dbraw/zinc/07/95/35/488079535.db2.gz SOSVEYOLKKLMTE-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H]1C(=O)N(Cc2ccc[nH+]c2N)C(=O)[C@H]1C ZINC000092112299 488081398 /nfs/dbraw/zinc/08/13/98/488081398.db2.gz MLOUOJWNJLNYDB-YUMQZZPRSA-N 1 2 233.271 0.805 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000683005776 488086932 /nfs/dbraw/zinc/08/69/32/488086932.db2.gz DEKQHWRHNCRKIP-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000683005776 488086937 /nfs/dbraw/zinc/08/69/37/488086937.db2.gz DEKQHWRHNCRKIP-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000683013636 488091750 /nfs/dbraw/zinc/09/17/50/488091750.db2.gz KLWYBAUWSLKCTD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000683013636 488091753 /nfs/dbraw/zinc/09/17/53/488091753.db2.gz KLWYBAUWSLKCTD-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000683011977 488091830 /nfs/dbraw/zinc/09/18/30/488091830.db2.gz PYBVNNVOTAMLCC-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccnc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000683011977 488091834 /nfs/dbraw/zinc/09/18/34/488091834.db2.gz PYBVNNVOTAMLCC-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO CC[C@]1([NH2+]Cc2noc(COC)n2)CCOC1 ZINC000683041862 488093813 /nfs/dbraw/zinc/09/38/13/488093813.db2.gz BQNPPXJTZLWTKO-NSHDSACASA-N 1 2 241.291 0.875 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1ncccn1)CC2 ZINC000683022905 488097770 /nfs/dbraw/zinc/09/77/70/488097770.db2.gz ZHLYFMHAUYTFAN-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000683029839 488099528 /nfs/dbraw/zinc/09/95/28/488099528.db2.gz OXCJHFPJOQOACP-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000683029839 488099532 /nfs/dbraw/zinc/09/95/32/488099532.db2.gz OXCJHFPJOQOACP-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO COCC1([N@H+](C)Cc2nncn2C)CC1 ZINC000677725699 488103607 /nfs/dbraw/zinc/10/36/07/488103607.db2.gz GNXWFCBBNPWZGF-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC1([N@@H+](C)Cc2nncn2C)CC1 ZINC000677725699 488103609 /nfs/dbraw/zinc/10/36/09/488103609.db2.gz GNXWFCBBNPWZGF-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660597697 488109351 /nfs/dbraw/zinc/10/93/51/488109351.db2.gz TWHHHUURZCDYHP-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660597697 488109356 /nfs/dbraw/zinc/10/93/56/488109356.db2.gz TWHHHUURZCDYHP-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660597697 488109362 /nfs/dbraw/zinc/10/93/62/488109362.db2.gz TWHHHUURZCDYHP-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660597697 488109370 /nfs/dbraw/zinc/10/93/70/488109370.db2.gz TWHHHUURZCDYHP-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000674250928 487537062 /nfs/dbraw/zinc/53/70/62/487537062.db2.gz JISPRMIRCDWENV-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000674250928 487537068 /nfs/dbraw/zinc/53/70/68/487537068.db2.gz JISPRMIRCDWENV-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CN(C)C(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732352 488109958 /nfs/dbraw/zinc/10/99/58/488109958.db2.gz FSFYSNANDXQJMF-UHFFFAOYSA-N 1 2 218.247 0.806 20 0 BCADLO COC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000683114705 488115150 /nfs/dbraw/zinc/11/51/50/488115150.db2.gz MGGALZJWCXKKJE-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO COC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000683114705 488115152 /nfs/dbraw/zinc/11/51/52/488115152.db2.gz MGGALZJWCXKKJE-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CCS(=O)(=O)CCC[NH2+]Cc1ncc(C)o1 ZINC000231653368 488115446 /nfs/dbraw/zinc/11/54/46/488115446.db2.gz FTDXYXKDOARULJ-UHFFFAOYSA-N 1 2 246.332 0.897 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000677737140 488115671 /nfs/dbraw/zinc/11/56/71/488115671.db2.gz KSVQQFIAULTPNS-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000677737140 488115676 /nfs/dbraw/zinc/11/56/76/488115676.db2.gz KSVQQFIAULTPNS-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@@H](O)C1CC1 ZINC000668687880 488116293 /nfs/dbraw/zinc/11/62/93/488116293.db2.gz HOAYXHIWURBSEK-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1cn(C)nn1 ZINC000677763967 488120209 /nfs/dbraw/zinc/12/02/09/488120209.db2.gz JEZGLBNNROYZLC-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1cn(C)nn1 ZINC000677763967 488120213 /nfs/dbraw/zinc/12/02/13/488120213.db2.gz JEZGLBNNROYZLC-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc(CN2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000677763794 488120477 /nfs/dbraw/zinc/12/04/77/488120477.db2.gz JHPTUWPJAPHXCK-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO CC(C)(O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683179957 488124231 /nfs/dbraw/zinc/12/42/31/488124231.db2.gz QYIZNOZVSDZRRT-SNVBAGLBSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)CCCF)CCO1 ZINC000667816128 488127703 /nfs/dbraw/zinc/12/77/03/488127703.db2.gz LAGWWMMYVQXQGV-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCF)CCO1 ZINC000667816128 488127708 /nfs/dbraw/zinc/12/77/08/488127708.db2.gz LAGWWMMYVQXQGV-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO O[C@@H]1C[C@H](O)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000677807414 488128016 /nfs/dbraw/zinc/12/80/16/488128016.db2.gz MDLRNTCILLZAGK-DTORHVGOSA-N 1 2 233.271 0.495 20 0 BCADLO Cc1cc(N2CC[C@H](NC(N)=O)C2)nc[nH+]1 ZINC000677810533 488128734 /nfs/dbraw/zinc/12/87/34/488128734.db2.gz VBNBMQFWPCHDEK-QMMMGPOBSA-N 1 2 221.264 0.032 20 0 BCADLO CC(C)[C@H](O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000349562646 488132853 /nfs/dbraw/zinc/13/28/53/488132853.db2.gz MWIDSWXQSATSAF-JTQLQIEISA-N 1 2 225.292 0.395 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccccc1NC(C)=O ZINC000668789855 487540288 /nfs/dbraw/zinc/54/02/88/487540288.db2.gz BIUJWXFNOCHHQN-UHFFFAOYSA-N 1 2 249.314 0.823 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000668789855 487540292 /nfs/dbraw/zinc/54/02/92/487540292.db2.gz BIUJWXFNOCHHQN-UHFFFAOYSA-N 1 2 249.314 0.823 20 0 BCADLO Cn1cncc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000685548756 487542337 /nfs/dbraw/zinc/54/23/37/487542337.db2.gz IAZFLRXDSMEFKV-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1cnns1 ZINC000653717393 487542785 /nfs/dbraw/zinc/54/27/85/487542785.db2.gz YDAUAFSKSBBURV-SNVBAGLBSA-N 1 2 238.316 0.393 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1cnns1 ZINC000653717393 487542790 /nfs/dbraw/zinc/54/27/90/487542790.db2.gz YDAUAFSKSBBURV-SNVBAGLBSA-N 1 2 238.316 0.393 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000387916269 487543575 /nfs/dbraw/zinc/54/35/75/487543575.db2.gz WXASBYFIYNOEGT-WCBMZHEXSA-N 1 2 208.261 0.391 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000685566759 487548468 /nfs/dbraw/zinc/54/84/68/487548468.db2.gz HKNHZKIAQWRGPS-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000685566759 487548471 /nfs/dbraw/zinc/54/84/71/487548471.db2.gz HKNHZKIAQWRGPS-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1ccc(NC(=O)Cn2cnc(N)n2)c(C)[nH+]1 ZINC000094663817 487549970 /nfs/dbraw/zinc/54/99/70/487549970.db2.gz HYXBSDXUQKWKGX-UHFFFAOYSA-N 1 2 246.274 0.511 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000685575096 487555336 /nfs/dbraw/zinc/55/53/36/487555336.db2.gz XJLGIHSTYXZABI-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000685575096 487555340 /nfs/dbraw/zinc/55/53/40/487555340.db2.gz XJLGIHSTYXZABI-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnn1CC(C)C ZINC000668788182 487533718 /nfs/dbraw/zinc/53/37/18/487533718.db2.gz LJTJZDYPXOZPTP-UHFFFAOYSA-N 1 2 238.335 0.717 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnn1CC(C)C ZINC000668788182 487533723 /nfs/dbraw/zinc/53/37/23/487533723.db2.gz LJTJZDYPXOZPTP-UHFFFAOYSA-N 1 2 238.335 0.717 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]c(C)n1)CC2 ZINC000679893863 487482667 /nfs/dbraw/zinc/48/26/67/487482667.db2.gz JDBCUGAJLIFOOX-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H]1CCCNC1=O)CC2 ZINC000679867809 487477068 /nfs/dbraw/zinc/47/70/68/487477068.db2.gz HXCFJTYEVCPEDQ-SNVBAGLBSA-N 1 2 234.303 0.286 20 0 BCADLO Cc1cn2c(n1)C[N@H+](Cc1ccn(C)n1)CC2 ZINC000679867799 487477251 /nfs/dbraw/zinc/47/72/51/487477251.db2.gz HIRCYKLLMBNJOH-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](Cc1ccn(C)n1)CC2 ZINC000679867799 487477257 /nfs/dbraw/zinc/47/72/57/487477257.db2.gz HIRCYKLLMBNJOH-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000673917557 487477991 /nfs/dbraw/zinc/47/79/91/487477991.db2.gz QIENVWDCMYHBHW-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1n[nH]c2c1CCC2 ZINC000673935141 487485921 /nfs/dbraw/zinc/48/59/21/487485921.db2.gz KHYSZMOYTZFHCI-UHFFFAOYSA-N 1 2 231.259 0.552 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1n[nH]c2c1CCC2 ZINC000673935141 487485924 /nfs/dbraw/zinc/48/59/24/487485924.db2.gz KHYSZMOYTZFHCI-UHFFFAOYSA-N 1 2 231.259 0.552 20 0 BCADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1nc[nH]n1 ZINC000673942218 487487003 /nfs/dbraw/zinc/48/70/03/487487003.db2.gz OEIUGTRCKOSDPR-VIFPVBQESA-N 1 2 248.290 0.659 20 0 BCADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1nnc[nH]1 ZINC000673942218 487487007 /nfs/dbraw/zinc/48/70/07/487487007.db2.gz OEIUGTRCKOSDPR-VIFPVBQESA-N 1 2 248.290 0.659 20 0 BCADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[NH+](CCO)CC1 ZINC000666190633 487487327 /nfs/dbraw/zinc/48/73/27/487487327.db2.gz UFFSTTIZKZFJCW-GDNZZTSVSA-N 1 2 238.331 0.169 20 0 BCADLO O[C@]1(Cn2ccnn2)CCC[N@H+](CC(F)F)C1 ZINC000671448188 487490009 /nfs/dbraw/zinc/49/00/09/487490009.db2.gz LFHIPCCOWCUMNR-SNVBAGLBSA-N 1 2 246.261 0.370 20 0 BCADLO O[C@]1(Cn2ccnn2)CCC[N@@H+](CC(F)F)C1 ZINC000671448188 487490015 /nfs/dbraw/zinc/49/00/15/487490015.db2.gz LFHIPCCOWCUMNR-SNVBAGLBSA-N 1 2 246.261 0.370 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000563391745 487492015 /nfs/dbraw/zinc/49/20/15/487492015.db2.gz ABIDZKVVDMRQFU-SNXWAXQRSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000563391745 487492019 /nfs/dbraw/zinc/49/20/19/487492019.db2.gz ABIDZKVVDMRQFU-SNXWAXQRSA-N 1 2 235.287 0.349 20 0 BCADLO OCCC[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000685036742 487493376 /nfs/dbraw/zinc/49/33/76/487493376.db2.gz TYEINVHQSXHZBS-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO OCCC[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000685036742 487493383 /nfs/dbraw/zinc/49/33/83/487493383.db2.gz TYEINVHQSXHZBS-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO CCc1cc(N[C@@H]2C(=O)NCC[C@H]2C)nc[nH+]1 ZINC000685039851 487494567 /nfs/dbraw/zinc/49/45/67/487494567.db2.gz LTEZEZGCYSYLCK-KCJUWKMLSA-N 1 2 234.303 0.976 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000679932320 487495969 /nfs/dbraw/zinc/49/59/69/487495969.db2.gz ASVPWWSZGMIRMD-JGVFFNPUSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@@H](C)C[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000679932320 487495971 /nfs/dbraw/zinc/49/59/71/487495971.db2.gz ASVPWWSZGMIRMD-JGVFFNPUSA-N 1 2 239.323 0.817 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)n1 ZINC000685043978 487496756 /nfs/dbraw/zinc/49/67/56/487496756.db2.gz GZWJGVQXKWZAKC-XVKPBYJWSA-N 1 2 238.291 0.246 20 0 BCADLO CN1CC[N@H+](Cc2ccco2)[C@H](CO)C1 ZINC000220473142 487506954 /nfs/dbraw/zinc/50/69/54/487506954.db2.gz HTUHKKZHOMBGGW-JTQLQIEISA-N 1 2 210.277 0.388 20 0 BCADLO CN1CC[N@@H+](Cc2ccco2)[C@H](CO)C1 ZINC000220473142 487506960 /nfs/dbraw/zinc/50/69/60/487506960.db2.gz HTUHKKZHOMBGGW-JTQLQIEISA-N 1 2 210.277 0.388 20 0 BCADLO CC(C)(C)c1nc(NCCNC(N)=O)cc[nH+]1 ZINC000674065679 487507693 /nfs/dbraw/zinc/50/76/93/487507693.db2.gz ARAOIGYOCCCAHT-UHFFFAOYSA-N 1 2 237.307 0.854 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ncccc1O ZINC000685420580 487519783 /nfs/dbraw/zinc/51/97/83/487519783.db2.gz OUZRRQKKBPGWFL-NXEZZACHSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ncccc1O ZINC000685420580 487519785 /nfs/dbraw/zinc/51/97/85/487519785.db2.gz OUZRRQKKBPGWFL-NXEZZACHSA-N 1 2 238.287 0.369 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2nccs2)C1 ZINC000685414020 487517715 /nfs/dbraw/zinc/51/77/15/487517715.db2.gz KJBKFBNWQPRPGK-UHFFFAOYSA-N 1 2 225.317 0.711 20 0 BCADLO CCc1nnc(CN2CC[NH+](C)CC2)s1 ZINC000680045375 487526372 /nfs/dbraw/zinc/52/63/72/487526372.db2.gz GJTATSLCBJXJFS-UHFFFAOYSA-N 1 2 226.349 0.848 20 0 BCADLO Cc1nc2[nH]ccc2c(NCc2nn[nH]n2)[nH+]1 ZINC000674337724 487561443 /nfs/dbraw/zinc/56/14/43/487561443.db2.gz ZEBQZIVZKXSHFF-UHFFFAOYSA-N 1 2 230.235 0.392 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)[C@@H]1CCCOC1 ZINC000674754451 487613150 /nfs/dbraw/zinc/61/31/50/487613150.db2.gz RIYDDVUQGXZVJQ-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)[C@@H]1CCCOC1 ZINC000674754451 487613155 /nfs/dbraw/zinc/61/31/55/487613155.db2.gz RIYDDVUQGXZVJQ-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO C[C@@H]([NH2+]Cc1nccs1)C(=O)NCCF ZINC000309116696 487649659 /nfs/dbraw/zinc/64/96/59/487649659.db2.gz LWDYCLLLNWHEIK-SSDOTTSWSA-N 1 2 231.296 0.707 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000676704097 487896190 /nfs/dbraw/zinc/89/61/90/487896190.db2.gz FMIZCUHJFLJIDQ-MRVPVSSYSA-N 1 2 210.281 0.318 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000676704097 487896193 /nfs/dbraw/zinc/89/61/93/487896193.db2.gz FMIZCUHJFLJIDQ-MRVPVSSYSA-N 1 2 210.281 0.318 20 0 BCADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2CO)s1 ZINC000159301420 488021025 /nfs/dbraw/zinc/02/10/25/488021025.db2.gz PYIQVJCWLTYQLS-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO Cc1ncc(C[N@H+]2CCOC[C@H]2CO)s1 ZINC000159301420 488021028 /nfs/dbraw/zinc/02/10/28/488021028.db2.gz PYIQVJCWLTYQLS-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCCn1cc[nH+]c1 ZINC000677647608 488088190 /nfs/dbraw/zinc/08/81/90/488088190.db2.gz OJRZMBJHMMYAMH-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO Cn1c[nH+]cc1C[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000085182700 488134875 /nfs/dbraw/zinc/13/48/75/488134875.db2.gz FMFPPGJHACBWRR-LLVKDONJSA-N 1 2 223.276 0.859 20 0 BCADLO Cn1c[nH+]cc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000085182700 488134878 /nfs/dbraw/zinc/13/48/78/488134878.db2.gz FMFPPGJHACBWRR-LLVKDONJSA-N 1 2 223.276 0.859 20 0 BCADLO CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670406222 488147144 /nfs/dbraw/zinc/14/71/44/488147144.db2.gz KJEATTLDPTZYFN-LBPRGKRZSA-N 1 2 239.363 0.683 20 0 BCADLO CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670406222 488147150 /nfs/dbraw/zinc/14/71/50/488147150.db2.gz KJEATTLDPTZYFN-LBPRGKRZSA-N 1 2 239.363 0.683 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cccnc1 ZINC000339356066 488154529 /nfs/dbraw/zinc/15/45/29/488154529.db2.gz IMHXDKLSCRKKIQ-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cccnc1 ZINC000339356066 488154533 /nfs/dbraw/zinc/15/45/33/488154533.db2.gz IMHXDKLSCRKKIQ-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683402858 488158463 /nfs/dbraw/zinc/15/84/63/488158463.db2.gz ZPRQHBXKRXJKDO-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000338316626 488165046 /nfs/dbraw/zinc/16/50/46/488165046.db2.gz REJDIFABPJGULH-SECBINFHSA-N 1 2 224.308 0.600 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@@H](O)C1 ZINC000338316626 488165052 /nfs/dbraw/zinc/16/50/52/488165052.db2.gz REJDIFABPJGULH-SECBINFHSA-N 1 2 224.308 0.600 20 0 BCADLO C[NH+](C)C1(C(=O)Nc2c[nH]ccc2=O)CC1 ZINC000668019216 488187940 /nfs/dbraw/zinc/18/79/40/488187940.db2.gz IHYZLIONGUICBC-UHFFFAOYSA-N 1 2 221.260 0.408 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)nn1 ZINC000678070358 488191180 /nfs/dbraw/zinc/19/11/80/488191180.db2.gz RZLLHKNRPSZTCX-UHFFFAOYSA-N 1 2 245.286 0.720 20 0 BCADLO CC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403190029 488194545 /nfs/dbraw/zinc/19/45/45/488194545.db2.gz VLLMLYWNBXDAFB-MRVPVSSYSA-N 1 2 207.220 0.525 20 0 BCADLO CC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403190029 488194548 /nfs/dbraw/zinc/19/45/48/488194548.db2.gz VLLMLYWNBXDAFB-MRVPVSSYSA-N 1 2 207.220 0.525 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C2CC2)cnn1C ZINC000668048436 488195181 /nfs/dbraw/zinc/19/51/81/488195181.db2.gz FMJHGOXZRNJUHJ-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C2CC2)cnn1C ZINC000668048436 488195182 /nfs/dbraw/zinc/19/51/82/488195182.db2.gz FMJHGOXZRNJUHJ-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000678092793 488196286 /nfs/dbraw/zinc/19/62/86/488196286.db2.gz PUXITBUMAKQKMP-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678120466 488198965 /nfs/dbraw/zinc/19/89/65/488198965.db2.gz HKLDNJJRSBBKLI-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668084317 488199181 /nfs/dbraw/zinc/19/91/81/488199181.db2.gz HHNGBKKWMCPOQW-LBPRGKRZSA-N 1 2 248.282 0.442 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668089621 488201255 /nfs/dbraw/zinc/20/12/55/488201255.db2.gz YHHQPOZTVPZFPS-WDEREUQCSA-N 1 2 249.314 0.887 20 0 BCADLO c1n[nH]cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000678144417 488206587 /nfs/dbraw/zinc/20/65/87/488206587.db2.gz JSEITGQJMCVXLJ-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccnn1C ZINC000683692092 488207830 /nfs/dbraw/zinc/20/78/30/488207830.db2.gz NZJPZGLXGXZGEL-QMMMGPOBSA-N 1 2 247.306 0.592 20 0 BCADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1O ZINC000678178238 488213094 /nfs/dbraw/zinc/21/30/94/488213094.db2.gz WXWQSTDIVBOLNI-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC000678178239 488213181 /nfs/dbraw/zinc/21/31/81/488213181.db2.gz WXWQSTDIVBOLNI-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cncs1 ZINC000678193320 488215584 /nfs/dbraw/zinc/21/55/84/488215584.db2.gz ZEKPYRLAZWLSFO-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cncs1 ZINC000678193320 488215586 /nfs/dbraw/zinc/21/55/86/488215586.db2.gz ZEKPYRLAZWLSFO-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192136 488218246 /nfs/dbraw/zinc/21/82/46/488218246.db2.gz UVHYAJHIWXEWTN-NEPJUHHUSA-N 1 2 249.314 0.818 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NCC2CC2)o1 ZINC000231652093 488219118 /nfs/dbraw/zinc/21/91/18/488219118.db2.gz SLQZKJHNPGCDIZ-UHFFFAOYSA-N 1 2 223.276 0.599 20 0 BCADLO Cc1cnc(C[NH2+]C[C@@H](O)C(F)(F)F)o1 ZINC000231651222 488219216 /nfs/dbraw/zinc/21/92/16/488219216.db2.gz PUJOLCXASNTUPI-ZCFIWIBFSA-N 1 2 224.182 0.996 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000668193612 488219664 /nfs/dbraw/zinc/21/96/64/488219664.db2.gz KALBDKRNDKXYKE-NOZJJQNGSA-N 1 2 249.314 0.851 20 0 BCADLO CCCn1nccc1C(=O)NCc1[nH+]ccn1C ZINC000668193489 488219746 /nfs/dbraw/zinc/21/97/46/488219746.db2.gz GKWMTLDSDBHWOY-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231653273 488220180 /nfs/dbraw/zinc/22/01/80/488220180.db2.gz RWFXNLHGUALMAM-MRVPVSSYSA-N 1 2 211.265 0.597 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CCCCNC2=O)o1 ZINC000231652967 488220202 /nfs/dbraw/zinc/22/02/02/488220202.db2.gz JQSDWOMLRHWJTB-SECBINFHSA-N 1 2 223.276 0.741 20 0 BCADLO Nc1cc(CN2C[C@H](O)CC(F)(F)C2)cc[nH+]1 ZINC000683787898 488222212 /nfs/dbraw/zinc/22/22/12/488222212.db2.gz ZMGDUEWPTOKZPI-SECBINFHSA-N 1 2 243.257 0.866 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000668208109 488225217 /nfs/dbraw/zinc/22/52/17/488225217.db2.gz YJHVKHDRBGIQIY-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCCn1nccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000668208109 488225220 /nfs/dbraw/zinc/22/52/20/488225220.db2.gz YJHVKHDRBGIQIY-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO O=C(NCc1c[nH+]c2n1CCCC2)c1nnc[nH]1 ZINC000671924296 488233624 /nfs/dbraw/zinc/23/36/24/488233624.db2.gz SCHFWCYXCGEYJH-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO O=C(NCc1c[nH+]c2n1CCCC2)c1ncn[nH]1 ZINC000671924296 488233628 /nfs/dbraw/zinc/23/36/28/488233628.db2.gz SCHFWCYXCGEYJH-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO O=C(NCc1c[nH+]c2n1CCCC2)c1nc[nH]n1 ZINC000671924296 488233630 /nfs/dbraw/zinc/23/36/30/488233630.db2.gz SCHFWCYXCGEYJH-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO CC(C)[C@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000683897393 488239558 /nfs/dbraw/zinc/23/95/58/488239558.db2.gz BEGDYLBBIKXCCW-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)N(CC(N)=O)Cc1cn(C)c[nH+]1 ZINC000683897257 488239730 /nfs/dbraw/zinc/23/97/30/488239730.db2.gz VMOOHQFGTOBHKB-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683897257 488239734 /nfs/dbraw/zinc/23/97/34/488239734.db2.gz VMOOHQFGTOBHKB-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683897257 488239735 /nfs/dbraw/zinc/23/97/35/488239735.db2.gz VMOOHQFGTOBHKB-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1cn(C)c[nH+]1 ZINC000683898570 488240096 /nfs/dbraw/zinc/24/00/96/488240096.db2.gz MWHWZTRQAGEZPJ-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnccn1 ZINC000672149215 488240704 /nfs/dbraw/zinc/24/07/04/488240704.db2.gz JDBRFLZRGVISDY-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)no1 ZINC000672147022 488240798 /nfs/dbraw/zinc/24/07/98/488240798.db2.gz XBTITAXJAVPGEJ-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000683899137 488241357 /nfs/dbraw/zinc/24/13/57/488241357.db2.gz YFDUZMRYCPKOFK-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000683899137 488241358 /nfs/dbraw/zinc/24/13/58/488241358.db2.gz YFDUZMRYCPKOFK-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000683899138 488241394 /nfs/dbraw/zinc/24/13/94/488241394.db2.gz YFDUZMRYCPKOFK-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000683899138 488241397 /nfs/dbraw/zinc/24/13/97/488241397.db2.gz YFDUZMRYCPKOFK-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153105 488241612 /nfs/dbraw/zinc/24/16/12/488241612.db2.gz RGFNPCZHYVVPPE-NSHDSACASA-N 1 2 244.298 0.966 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672150930 488241630 /nfs/dbraw/zinc/24/16/30/488241630.db2.gz KABVJWMKRASTTJ-SECBINFHSA-N 1 2 205.261 0.724 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnco1 ZINC000672150628 488241813 /nfs/dbraw/zinc/24/18/13/488241813.db2.gz FEWOOEZXFRMIGZ-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCCO1 ZINC000672149183 488241847 /nfs/dbraw/zinc/24/18/47/488241847.db2.gz IKAUCISUCNPIDZ-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(Cc1cc[nH]n1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155416 488242717 /nfs/dbraw/zinc/24/27/17/488242717.db2.gz XSIASAUBOMVECY-JTQLQIEISA-N 1 2 245.286 0.280 20 0 BCADLO CCNC(=O)CN(C)c1cc(C)[nH+]c(CC)n1 ZINC000672168133 488243809 /nfs/dbraw/zinc/24/38/09/488243809.db2.gz CGORXFNESHEXFX-UHFFFAOYSA-N 1 2 236.319 0.920 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000684069103 488259799 /nfs/dbraw/zinc/25/97/99/488259799.db2.gz HMDNKKVNUQVDAD-GRYCIOLGSA-N 1 2 240.347 0.822 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1c[nH]ccc1=O ZINC000672745208 488265163 /nfs/dbraw/zinc/26/51/63/488265163.db2.gz ZRUOXDWBLCMXTJ-UHFFFAOYSA-N 1 2 232.243 0.669 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000673039321 488272085 /nfs/dbraw/zinc/27/20/85/488272085.db2.gz PPPMOSPEPOXIQG-SNVBAGLBSA-N 1 2 237.303 0.572 20 0 BCADLO CC(=O)NCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000678624653 488273691 /nfs/dbraw/zinc/27/36/91/488273691.db2.gz IVGYUJAKZVQYLE-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CC(=O)NCCC[N@H+](C)Cc1nnc(C)s1 ZINC000678624653 488273694 /nfs/dbraw/zinc/27/36/94/488273694.db2.gz IVGYUJAKZVQYLE-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO Cc1cnccc1CNC(=O)Cc1c[nH+]cn1C ZINC000673093749 488276742 /nfs/dbraw/zinc/27/67/42/488276742.db2.gz IMCQHLCMGSYJOO-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO COCC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000678715434 488277412 /nfs/dbraw/zinc/27/74/12/488277412.db2.gz QUWYOTZWDUQAPD-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO COCC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000678715434 488277414 /nfs/dbraw/zinc/27/74/14/488277414.db2.gz QUWYOTZWDUQAPD-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC=CC1 ZINC000678804195 488284581 /nfs/dbraw/zinc/28/45/81/488284581.db2.gz YTPYSKBOMQPZEV-LLVKDONJSA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC=CC1 ZINC000678804195 488284583 /nfs/dbraw/zinc/28/45/83/488284583.db2.gz YTPYSKBOMQPZEV-LLVKDONJSA-N 1 2 224.304 0.542 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000679122316 488308804 /nfs/dbraw/zinc/30/88/04/488308804.db2.gz SIJQQSZSVRRUGX-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO CCN(CC(=O)N(C)C)c1cc[nH+]c(C)n1 ZINC000673885080 488311250 /nfs/dbraw/zinc/31/12/50/488311250.db2.gz IBXUPNGAEWUYKY-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO COC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000684456281 488315429 /nfs/dbraw/zinc/31/54/29/488315429.db2.gz XGLBLHNIGWJHNJ-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO COC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000684456281 488315430 /nfs/dbraw/zinc/31/54/30/488315430.db2.gz XGLBLHNIGWJHNJ-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO COC[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000684600606 488330885 /nfs/dbraw/zinc/33/08/85/488330885.db2.gz VWBACDWVGJAIHZ-MRVPVSSYSA-N 1 2 248.286 0.631 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000684607633 488331601 /nfs/dbraw/zinc/33/16/01/488331601.db2.gz VQKXUNZRPCDIQC-SECBINFHSA-N 1 2 237.307 0.008 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccnc(C)n1 ZINC000684618005 488332777 /nfs/dbraw/zinc/33/27/77/488332777.db2.gz ZBHYNPRATOXUOQ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccnc(C)n1 ZINC000684618005 488332778 /nfs/dbraw/zinc/33/27/78/488332778.db2.gz ZBHYNPRATOXUOQ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC(=O)N1 ZINC000684853514 488349573 /nfs/dbraw/zinc/34/95/73/488349573.db2.gz ITBQPWMKSNDKMS-SECBINFHSA-N 1 2 244.254 0.551 20 0 BCADLO CN(C[C@H](O)CO)c1cc[nH+]c(C2CC2)n1 ZINC000679424034 488352020 /nfs/dbraw/zinc/35/20/20/488352020.db2.gz KPXNWNUIQSGZKI-VIFPVBQESA-N 1 2 223.276 0.143 20 0 BCADLO CC(C)N1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC000679541256 488357248 /nfs/dbraw/zinc/35/72/48/488357248.db2.gz WOTJDVDQRPLQCU-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)N1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC000679541256 488357249 /nfs/dbraw/zinc/35/72/49/488357249.db2.gz WOTJDVDQRPLQCU-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000679629717 488360441 /nfs/dbraw/zinc/36/04/41/488360441.db2.gz ORSRSFVXCTWSNE-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)CCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000679629717 488360442 /nfs/dbraw/zinc/36/04/42/488360442.db2.gz ORSRSFVXCTWSNE-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COCCN2C)c(C)c[nH+]1 ZINC000679644555 488362080 /nfs/dbraw/zinc/36/20/80/488362080.db2.gz RUWAJWKCCFAKGI-GFCCVEGCSA-N 1 2 249.314 0.389 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1nncs1 ZINC000343792357 490094657 /nfs/dbraw/zinc/09/46/57/490094657.db2.gz VQTACWMFWBGLQK-UHFFFAOYSA-N 1 2 238.276 0.593 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@H](CO)O2)cc[nH+]1 ZINC000348218510 490102741 /nfs/dbraw/zinc/10/27/41/490102741.db2.gz KYVYTHZMHMDHKO-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@H](CO)O2)cc[nH+]1 ZINC000348218528 490102813 /nfs/dbraw/zinc/10/28/13/490102813.db2.gz KYVYTHZMHMDHKO-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(NCc2ccc(C(N)=O)nc2)cc[nH+]1 ZINC000441798362 490102831 /nfs/dbraw/zinc/10/28/31/490102831.db2.gz FJMZRRQJSGYBKK-UHFFFAOYSA-N 1 2 243.270 0.891 20 0 BCADLO Cc1nc(N2C[C@H](O)C[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000675548924 490193196 /nfs/dbraw/zinc/19/31/96/490193196.db2.gz ACCABXKQJLONAB-PHIMTYICSA-N 1 2 237.303 0.334 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC000672149452 490198666 /nfs/dbraw/zinc/19/86/66/490198666.db2.gz OWGAONCXZYEJEX-ZWNOBZJWSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC000672149450 490198899 /nfs/dbraw/zinc/19/88/99/490198899.db2.gz OWGAONCXZYEJEX-GXFFZTMASA-N 1 2 249.314 0.883 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000351539911 490223759 /nfs/dbraw/zinc/22/37/59/490223759.db2.gz NIEPGGDAYVHQTP-JTQLQIEISA-N 1 2 239.275 0.197 20 0 BCADLO Cc1cc(C)nc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000068806390 490262268 /nfs/dbraw/zinc/26/22/68/490262268.db2.gz RJBYEZZLMZMQPX-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cc(C)nc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000068806390 490262275 /nfs/dbraw/zinc/26/22/75/490262275.db2.gz RJBYEZZLMZMQPX-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO OCCOC1CC[NH+](CC(F)F)CC1 ZINC000126896089 490344713 /nfs/dbraw/zinc/34/47/13/490344713.db2.gz YVNIWOFBNNOQBT-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000074062922 490371442 /nfs/dbraw/zinc/37/14/42/490371442.db2.gz YNYLRACDXLALPG-CMPLNLGQSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](CO)O1 ZINC000230007826 490380352 /nfs/dbraw/zinc/38/03/52/490380352.db2.gz XTCMWQLYJRMGGQ-ONGXEEELSA-N 1 2 238.287 0.160 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000124772026 490403293 /nfs/dbraw/zinc/40/32/93/490403293.db2.gz OGLVBRIGJMUIHD-RKDXNWHRSA-N 1 2 245.348 0.884 20 0 BCADLO CC[C@H](CCO)NC(=O)CCCn1cc[nH+]c1 ZINC000305186030 490448064 /nfs/dbraw/zinc/44/80/64/490448064.db2.gz XQAOJVZBSCNYSH-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)[C@@H]1C[N@H+](C)CCO1 ZINC000126692450 490513272 /nfs/dbraw/zinc/51/32/72/490513272.db2.gz JHDGSINTWGGCMZ-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126692450 490513275 /nfs/dbraw/zinc/51/32/75/490513275.db2.gz JHDGSINTWGGCMZ-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO Cc1nc(NCC[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000381384866 490592814 /nfs/dbraw/zinc/59/28/14/490592814.db2.gz MKGRWXYKMLPQTO-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BCADLO CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616871875 491068342 /nfs/dbraw/zinc/06/83/42/491068342.db2.gz VMGWSWUZBJOPGV-VIFPVBQESA-N 1 2 225.292 0.616 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000228104680 491090453 /nfs/dbraw/zinc/09/04/53/491090453.db2.gz ONXKREIBYLLPQF-IVZWLZJFSA-N 1 2 237.303 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000228104680 491090454 /nfs/dbraw/zinc/09/04/54/491090454.db2.gz ONXKREIBYLLPQF-IVZWLZJFSA-N 1 2 237.303 0.835 20 0 BCADLO COc1ccc(C[NH2+]Cc2ncnn2C)cn1 ZINC000088572212 491106133 /nfs/dbraw/zinc/10/61/33/491106133.db2.gz VETJUTYJBXSUOA-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO Cc1nc(NCCCC(=O)N(C)C)cc[nH+]1 ZINC000390504862 491108575 /nfs/dbraw/zinc/10/85/75/491108575.db2.gz WNUNGSZVICBVTD-UHFFFAOYSA-N 1 2 222.292 1.065 20 0 BCADLO Cc1nc(NCCCc2c[nH][nH]c2=O)cc[nH+]1 ZINC000631362284 491108579 /nfs/dbraw/zinc/10/85/79/491108579.db2.gz SSFGVXFCVDIUAZ-SECBINFHSA-N 1 2 233.275 0.709 20 0 BCADLO OCCCOC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000305010561 491128657 /nfs/dbraw/zinc/12/86/57/491128657.db2.gz KHGCHPUEPWVKDH-UHFFFAOYSA-N 1 2 239.319 0.773 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177320 491128745 /nfs/dbraw/zinc/12/87/45/491128745.db2.gz FOGSQDWYWROECK-SFYZADRCSA-N 1 2 243.307 0.069 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177320 491128746 /nfs/dbraw/zinc/12/87/46/491128746.db2.gz FOGSQDWYWROECK-SFYZADRCSA-N 1 2 243.307 0.069 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000890631482 582489294 /nfs/dbraw/zinc/48/92/94/582489294.db2.gz DQXNJRRRKLEUTM-JTQLQIEISA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000890631482 582489297 /nfs/dbraw/zinc/48/92/97/582489297.db2.gz DQXNJRRRKLEUTM-JTQLQIEISA-N 1 2 239.275 0.266 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cn[nH]c1 ZINC000494674874 533952380 /nfs/dbraw/zinc/95/23/80/533952380.db2.gz RUTCKQHCTPYECZ-ZETCQYMHSA-N 1 2 233.279 0.582 20 0 BCADLO COC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000496972023 534002090 /nfs/dbraw/zinc/00/20/90/534002090.db2.gz AOPMWIJMAJYCKK-UHFFFAOYSA-N 1 2 242.319 0.797 20 0 BCADLO COC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000496665300 534006187 /nfs/dbraw/zinc/00/61/87/534006187.db2.gz SDIGRKWMVWAHOP-VIFPVBQESA-N 1 2 214.265 0.159 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493286057 534065475 /nfs/dbraw/zinc/06/54/75/534065475.db2.gz DAPOYNGVDJZFFO-FWNCORBQSA-N 1 2 248.286 0.064 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000336116856 535720314 /nfs/dbraw/zinc/72/03/14/535720314.db2.gz KQTYKGSKPGDBGY-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000336116856 535720320 /nfs/dbraw/zinc/72/03/20/535720320.db2.gz KQTYKGSKPGDBGY-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335665650 535729369 /nfs/dbraw/zinc/72/93/69/535729369.db2.gz FCKVLGKVECPMOL-QWRGUYRKSA-N 1 2 241.335 0.463 20 0 BCADLO CCN(C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335665650 535729374 /nfs/dbraw/zinc/72/93/74/535729374.db2.gz FCKVLGKVECPMOL-QWRGUYRKSA-N 1 2 241.335 0.463 20 0 BCADLO C[C@@H](CO)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903947 534113620 /nfs/dbraw/zinc/11/36/20/534113620.db2.gz VHGGBTHZLASHDP-VEMNSZJBSA-N 1 2 209.249 0.262 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000494676915 534163447 /nfs/dbraw/zinc/16/34/47/534163447.db2.gz NFEWVNPIBXLTJI-QMMMGPOBSA-N 1 2 241.247 0.171 20 0 BCADLO C[S@](=O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834703 534191950 /nfs/dbraw/zinc/19/19/50/534191950.db2.gz HCFOFNDGENXUJQ-CWDCEQMOSA-N 1 2 241.316 0.308 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)C(=O)OC ZINC000348190084 535935301 /nfs/dbraw/zinc/93/53/01/535935301.db2.gz YANLCKWMBLKZQD-LPEHRKFASA-N 1 2 242.319 0.442 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493671596 534223231 /nfs/dbraw/zinc/22/32/31/534223231.db2.gz BKVILEXHAUMRRJ-WTSVBCDHSA-N 1 2 237.259 0.443 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759779 534268207 /nfs/dbraw/zinc/26/82/07/534268207.db2.gz CRDHGFQUVFOFHY-MVZIDQBPSA-N 1 2 235.287 0.796 20 0 BCADLO COC(=O)[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492772527 534269632 /nfs/dbraw/zinc/26/96/32/534269632.db2.gz SVRYPPYBIGPUKO-WYGGZMRJSA-N 1 2 249.270 0.491 20 0 BCADLO C[C@@H](Cn1cncn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903489 534272508 /nfs/dbraw/zinc/27/25/08/534272508.db2.gz TUODHRGXOMIGQK-XADBCAIWSA-N 1 2 246.274 0.219 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493531118 534275442 /nfs/dbraw/zinc/27/54/42/534275442.db2.gz SOOQPMONRXADPJ-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@@H]([NH2+]Cc1csnn1)C(=O)NC(C)(C)C ZINC000159253368 518178371 /nfs/dbraw/zinc/17/83/71/518178371.db2.gz IVHTUCFQVXDCCF-SSDOTTSWSA-N 1 2 242.348 0.931 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)OC1CCC1 ZINC000495971238 534338208 /nfs/dbraw/zinc/33/82/08/534338208.db2.gz RRIOSYIJZIIRIW-UHFFFAOYSA-N 1 2 228.292 0.597 20 0 BCADLO Cc1cnc(C(=O)NCCn2cc[nH+]c2)c(O)c1 ZINC000495051885 534529640 /nfs/dbraw/zinc/52/96/40/534529640.db2.gz WETWNRRESOMDLH-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000334359449 534663351 /nfs/dbraw/zinc/66/33/51/534663351.db2.gz WCRVUCYDLSUUKC-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000334359449 534663355 /nfs/dbraw/zinc/66/33/55/534663355.db2.gz WCRVUCYDLSUUKC-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000334359449 534663361 /nfs/dbraw/zinc/66/33/61/534663361.db2.gz WCRVUCYDLSUUKC-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H](O)C1 ZINC000493132662 534786945 /nfs/dbraw/zinc/78/69/45/534786945.db2.gz ZPIIQZRXKMZQNL-CMLYIYFCSA-N 1 2 207.233 0.016 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CO ZINC000493850671 534800931 /nfs/dbraw/zinc/80/09/31/534800931.db2.gz JORRRAMSDJBKIO-UMBAGQNISA-N 1 2 221.260 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ncccc1O ZINC000492815471 534803317 /nfs/dbraw/zinc/80/33/17/534803317.db2.gz XDJXVBKZLGWDCD-ARJAWSKDSA-N 1 2 244.254 0.840 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nncn1C1CC1 ZINC000492786751 534805107 /nfs/dbraw/zinc/80/51/07/534805107.db2.gz ASEFWQXCNOPMGT-RJRFIUFISA-N 1 2 244.258 0.988 20 0 BCADLO CC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)[nH]1 ZINC000334348232 534831141 /nfs/dbraw/zinc/83/11/41/534831141.db2.gz YMMKRJWKQPSCAW-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)[nH]1 ZINC000334348232 534831145 /nfs/dbraw/zinc/83/11/45/534831145.db2.gz YMMKRJWKQPSCAW-SECBINFHSA-N 1 2 249.314 0.993 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@H]2COC[C@H]2O)s1 ZINC000308983774 534872280 /nfs/dbraw/zinc/87/22/80/534872280.db2.gz JBIFLHUWZMMIQV-MHSYXAOVSA-N 1 2 229.305 0.257 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862358 526453472 /nfs/dbraw/zinc/45/34/72/526453472.db2.gz KMLJXWMMJIYALO-VEMNSZJBSA-N 1 2 221.260 0.907 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493253934 526619907 /nfs/dbraw/zinc/61/99/07/526619907.db2.gz BUISTPTYTGTXJW-XNPJLODASA-N 1 2 237.303 0.946 20 0 BCADLO COC(C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000086929973 536506053 /nfs/dbraw/zinc/50/60/53/536506053.db2.gz STAKWJINAZMQSU-LLVKDONJSA-N 1 2 228.336 0.775 20 0 BCADLO COC(C[N@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000086929973 536506058 /nfs/dbraw/zinc/50/60/58/536506058.db2.gz STAKWJINAZMQSU-LLVKDONJSA-N 1 2 228.336 0.775 20 0 BCADLO CC(C)(CC(N)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492955218 526980022 /nfs/dbraw/zinc/98/00/22/526980022.db2.gz PMOWXAXVDHIASP-ARJAWSKDSA-N 1 2 236.275 0.193 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000493456020 527580705 /nfs/dbraw/zinc/58/07/05/527580705.db2.gz DIWMYUJYTBISSW-KANVGOIPSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000493456020 527580713 /nfs/dbraw/zinc/58/07/13/527580713.db2.gz DIWMYUJYTBISSW-KANVGOIPSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000493456029 527603481 /nfs/dbraw/zinc/60/34/81/527603481.db2.gz DIWMYUJYTBISSW-WBOWPWJFSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000493456029 527603483 /nfs/dbraw/zinc/60/34/83/527603483.db2.gz DIWMYUJYTBISSW-WBOWPWJFSA-N 1 2 238.331 0.956 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493180882 527721536 /nfs/dbraw/zinc/72/15/36/527721536.db2.gz BHUWNSWBBCKSNF-HMDXOVGESA-N 1 2 237.303 0.946 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493112613 527877788 /nfs/dbraw/zinc/87/77/88/527877788.db2.gz FCRNILANQMBNNZ-CDAZIORVSA-N 1 2 235.287 0.795 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492864244 527888863 /nfs/dbraw/zinc/88/88/63/527888863.db2.gz NLZZUJQHWUUUPM-HWKXXFMVSA-N 1 2 235.287 0.699 20 0 BCADLO CCN1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493374241 527906041 /nfs/dbraw/zinc/90/60/41/527906041.db2.gz WJXKGDSMIUSHAF-ONEGZZNKSA-N 1 2 234.259 0.071 20 0 BCADLO CCN1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493693429 527934738 /nfs/dbraw/zinc/93/47/38/527934738.db2.gz RGHSAVSEFAQWRS-XOULXFPDSA-N 1 2 248.286 0.160 20 0 BCADLO CCCN(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493455941 527941278 /nfs/dbraw/zinc/94/12/78/527941278.db2.gz IGFXKPNNMWZSLW-ARJAWSKDSA-N 1 2 236.275 0.147 20 0 BCADLO CCNC(=O)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493485695 528216294 /nfs/dbraw/zinc/21/62/94/528216294.db2.gz KRCGRVXJCMTNHH-ZJELKQJVSA-N 1 2 236.275 0.064 20 0 BCADLO CCC[C@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495792475 528399212 /nfs/dbraw/zinc/39/92/12/528399212.db2.gz FVEXMXZVXRQEQW-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO CCC[C@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495792475 528399213 /nfs/dbraw/zinc/39/92/13/528399213.db2.gz FVEXMXZVXRQEQW-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO CCO/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000493425445 528493902 /nfs/dbraw/zinc/49/39/02/528493902.db2.gz TWJMOFDWGOXTCC-LJJSCBMDSA-N 1 2 223.276 0.938 20 0 BCADLO CCO/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000493570169 528524153 /nfs/dbraw/zinc/52/41/53/528524153.db2.gz XVPAMZIJRVVKQV-OHYQPGSNSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000493570169 528524156 /nfs/dbraw/zinc/52/41/56/528524156.db2.gz XVPAMZIJRVVKQV-OHYQPGSNSA-N 1 2 242.319 0.374 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861867 528543311 /nfs/dbraw/zinc/54/33/11/528543311.db2.gz JZXHDJUZBORICB-DLRQAJBASA-N 1 2 237.303 0.946 20 0 BCADLO C[C@H](O)c1cccc(NCC[S@@](C)=O)[nH+]1 ZINC000892571926 582917310 /nfs/dbraw/zinc/91/73/10/582917310.db2.gz RVOVRDGGVVWRLM-VXJOIVPMSA-N 1 2 228.317 0.925 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC000493743155 528908099 /nfs/dbraw/zinc/90/80/99/528908099.db2.gz VFZGHYBBBUQACQ-FSIBCCDJSA-N 1 2 248.286 0.160 20 0 BCADLO CCOC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000494774276 528957750 /nfs/dbraw/zinc/95/77/50/528957750.db2.gz ZGOYUNNTFQZPLS-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493502562 529261014 /nfs/dbraw/zinc/26/10/14/529261014.db2.gz WINGCTBIYZGNEF-OCIBVNFRSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492989471 529264985 /nfs/dbraw/zinc/26/49/85/529264985.db2.gz VBXZXNSEDWSUJQ-UMBAGQNISA-N 1 2 248.286 0.160 20 0 BCADLO CC[C@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000496293723 529296230 /nfs/dbraw/zinc/29/62/30/529296230.db2.gz MWSOQCZMNAZSQH-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000496293723 529296231 /nfs/dbraw/zinc/29/62/31/529296231.db2.gz MWSOQCZMNAZSQH-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000492813533 529347242 /nfs/dbraw/zinc/34/72/42/529347242.db2.gz PRNNEIVGJYHUTH-YUPSMKLTSA-N 1 2 235.287 0.652 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000177639500 534979042 /nfs/dbraw/zinc/97/90/42/534979042.db2.gz RHTSEUOECZOPAV-SNVBAGLBSA-N 1 2 243.351 0.262 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000177639500 534979045 /nfs/dbraw/zinc/97/90/45/534979045.db2.gz RHTSEUOECZOPAV-SNVBAGLBSA-N 1 2 243.351 0.262 20 0 BCADLO CC(C)(C(=O)N1CCCOC1)[NH+]1CCOCC1 ZINC000348195357 535015889 /nfs/dbraw/zinc/01/58/89/535015889.db2.gz WWXZXJHBNYBOHI-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO CCCCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000342555627 535208627 /nfs/dbraw/zinc/20/86/27/535208627.db2.gz LOLITLFEQBGQPC-LBPRGKRZSA-N 1 2 241.379 0.881 20 0 BCADLO CCn1ncnc1C[N@H+](CC)C[C@H](C)O ZINC000352223138 535393847 /nfs/dbraw/zinc/39/38/47/535393847.db2.gz UMJGBDZERHNTDI-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)C[C@H](C)O ZINC000352223138 535393855 /nfs/dbraw/zinc/39/38/55/535393855.db2.gz UMJGBDZERHNTDI-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)n1C)C[C@H](C)O ZINC000352202713 535396374 /nfs/dbraw/zinc/39/63/74/535396374.db2.gz LTOWENXGWSCLFD-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)n1C)C[C@H](C)O ZINC000352202713 535396377 /nfs/dbraw/zinc/39/63/77/535396377.db2.gz LTOWENXGWSCLFD-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO CCN(CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179059955 535455651 /nfs/dbraw/zinc/45/56/51/535455651.db2.gz YXDUEEHZTOBVBX-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCC(=O)NC)[C@H](C)CC ZINC000347803740 535491779 /nfs/dbraw/zinc/49/17/79/535491779.db2.gz YRCPVJDOURNPLO-KOLCDFICSA-N 1 2 244.335 0.690 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246734267 535639059 /nfs/dbraw/zinc/63/90/59/535639059.db2.gz LNZGSHVBRFFPGM-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246734267 535639066 /nfs/dbraw/zinc/63/90/66/535639066.db2.gz LNZGSHVBRFFPGM-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc(C)[nH]2)[C@H](C)C1 ZINC000336164409 535645542 /nfs/dbraw/zinc/64/55/42/535645542.db2.gz OVFXCFXTPNSORA-SECBINFHSA-N 1 2 236.319 0.884 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc(C)[nH]2)[C@H](C)C1 ZINC000336164409 535645545 /nfs/dbraw/zinc/64/55/45/535645545.db2.gz OVFXCFXTPNSORA-SECBINFHSA-N 1 2 236.319 0.884 20 0 BCADLO CCN1CC[N@H+](C[C@@H](C)OC)CC1=O ZINC000348820063 535707327 /nfs/dbraw/zinc/70/73/27/535707327.db2.gz ZXNMVJCPFUUFLS-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@@H+](C[C@@H](C)OC)CC1=O ZINC000348820063 535707332 /nfs/dbraw/zinc/70/73/32/535707332.db2.gz ZXNMVJCPFUUFLS-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)CC1=O ZINC000336071140 535709990 /nfs/dbraw/zinc/70/99/90/535709990.db2.gz BPWNNUYACITMIW-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)CC1=O ZINC000336071140 535709995 /nfs/dbraw/zinc/70/99/95/535709995.db2.gz BPWNNUYACITMIW-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000348098404 535711598 /nfs/dbraw/zinc/71/15/98/535711598.db2.gz ZHGASTZBEPNGKA-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335697389 535720790 /nfs/dbraw/zinc/72/07/90/535720790.db2.gz OVBUCJWRSXFYKK-MGPLVRAMSA-N 1 2 246.376 0.165 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335697389 535720793 /nfs/dbraw/zinc/72/07/93/535720793.db2.gz OVBUCJWRSXFYKK-MGPLVRAMSA-N 1 2 246.376 0.165 20 0 BCADLO CCN1CCN(Cc2[nH+]ccn2C)[C@H](C)C1=O ZINC000336109122 535722309 /nfs/dbraw/zinc/72/23/09/535722309.db2.gz ZIJIZSXNKRQQQJ-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CC2)[C@@H](C)C1 ZINC000335943930 535724145 /nfs/dbraw/zinc/72/41/45/535724145.db2.gz OLUSYTUDTAGNRR-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CC2)[C@@H](C)C1 ZINC000335943930 535724148 /nfs/dbraw/zinc/72/41/48/535724148.db2.gz OLUSYTUDTAGNRR-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000000013139 535791245 /nfs/dbraw/zinc/79/12/45/535791245.db2.gz WWWRLBJLTQNOPQ-UHFFFAOYSA-N 1 2 249.318 0.637 20 0 BCADLO CC[C@](COC)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000079715613 535870353 /nfs/dbraw/zinc/87/03/53/535870353.db2.gz AYTIDUTZKXCCJS-ZYHUDNBSSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCF ZINC000352097024 536314341 /nfs/dbraw/zinc/31/43/41/536314341.db2.gz MJJKCPBABGHWII-SECBINFHSA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCF ZINC000352097024 536314344 /nfs/dbraw/zinc/31/43/44/536314344.db2.gz MJJKCPBABGHWII-SECBINFHSA-N 1 2 246.282 0.100 20 0 BCADLO CN(CC[NH3+])C(=O)c1cc(F)c(O)c(F)c1 ZINC000335657621 536367364 /nfs/dbraw/zinc/36/73/64/536367364.db2.gz QMONJXJJNHPTRO-UHFFFAOYSA-N 1 2 230.214 0.701 20 0 BCADLO CNC(=O)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000351987293 536490840 /nfs/dbraw/zinc/49/08/40/536490840.db2.gz SVUVCVJRZLCHAW-UHFFFAOYSA-N 1 2 230.214 0.506 20 0 BCADLO COCCOCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227769351 536515061 /nfs/dbraw/zinc/51/50/61/536515061.db2.gz ZUEBYTINZOGPDL-JTQLQIEISA-N 1 2 231.292 0.191 20 0 BCADLO COC1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000334296138 536582655 /nfs/dbraw/zinc/58/26/55/536582655.db2.gz YDCAFGBZYHCODJ-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO CO[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263162491 536705209 /nfs/dbraw/zinc/70/52/09/536705209.db2.gz DYTAMQZUNMUNGG-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000351730721 536841363 /nfs/dbraw/zinc/84/13/63/536841363.db2.gz RDFMBPHSQGGSGC-SFYZADRCSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000351730721 536841365 /nfs/dbraw/zinc/84/13/65/536841365.db2.gz RDFMBPHSQGGSGC-SFYZADRCSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351751215 536842854 /nfs/dbraw/zinc/84/28/54/536842854.db2.gz AABQCQLMDYFHHB-IONNQARKSA-N 1 2 240.259 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351751215 536842856 /nfs/dbraw/zinc/84/28/56/536842856.db2.gz AABQCQLMDYFHHB-IONNQARKSA-N 1 2 240.259 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351751214 536842900 /nfs/dbraw/zinc/84/29/00/536842900.db2.gz AABQCQLMDYFHHB-CBAPKCEASA-N 1 2 240.259 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351751214 536842907 /nfs/dbraw/zinc/84/29/07/536842907.db2.gz AABQCQLMDYFHHB-CBAPKCEASA-N 1 2 240.259 0.274 20 0 BCADLO CSCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000892654872 582940664 /nfs/dbraw/zinc/94/06/64/582940664.db2.gz NAGWZMXNKZIHLG-UHFFFAOYSA-N 1 2 228.321 0.582 20 0 BCADLO CCOC[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194436918 566492554 /nfs/dbraw/zinc/49/25/54/566492554.db2.gz GZFVWBGVJGXILH-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO CCOC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194436918 566492560 /nfs/dbraw/zinc/49/25/60/566492560.db2.gz GZFVWBGVJGXILH-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000194443315 566492850 /nfs/dbraw/zinc/49/28/50/566492850.db2.gz NSOLYDQGKDAGEO-SECBINFHSA-N 1 2 247.306 0.313 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000194443315 566492855 /nfs/dbraw/zinc/49/28/55/566492855.db2.gz NSOLYDQGKDAGEO-SECBINFHSA-N 1 2 247.306 0.313 20 0 BCADLO CN(C)c1cc(N(C)C[C@@H](O)C2CC2)nc[nH+]1 ZINC000892850010 582996403 /nfs/dbraw/zinc/99/64/03/582996403.db2.gz CVDJHNCDUWRTKG-SNVBAGLBSA-N 1 2 236.319 0.750 20 0 BCADLO CN(C)c1cc(N(C)C[C@@H](O)C2CC2)[nH+]cn1 ZINC000892850010 582996407 /nfs/dbraw/zinc/99/64/07/582996407.db2.gz CVDJHNCDUWRTKG-SNVBAGLBSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@@H](O)c1cccc(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000893102536 583049556 /nfs/dbraw/zinc/04/95/56/583049556.db2.gz YQULWMUQBQTFDC-HTQZYQBOSA-N 1 2 221.260 0.435 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CCOC[C@@H]2C)C1(F)F ZINC000893963017 583257794 /nfs/dbraw/zinc/25/77/94/583257794.db2.gz XCJKTTFLQUVAEW-CIUDSAMLSA-N 1 2 249.257 0.761 20 0 BCADLO Nc1nc(N[C@H]2C[C@@H](O)C2)[nH+]c(C2CC2)n1 ZINC000894120453 583309958 /nfs/dbraw/zinc/30/99/58/583309958.db2.gz XEEBPBCORRSJHR-KNVOCYPGSA-N 1 2 221.264 0.266 20 0 BCADLO OCCCc1cn(-c2cnc(F)cn2)c[nH+]1 ZINC000853294749 588731310 /nfs/dbraw/zinc/73/13/10/588731310.db2.gz CHIVNGFTGVAZCF-UHFFFAOYSA-N 1 2 222.223 0.726 20 0 BCADLO CCOC[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853499225 588746132 /nfs/dbraw/zinc/74/61/32/588746132.db2.gz AJVNVTMVFVDWGB-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO CCOC[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853499225 588746133 /nfs/dbraw/zinc/74/61/33/588746133.db2.gz AJVNVTMVFVDWGB-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO COC[C@@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853496680 588746141 /nfs/dbraw/zinc/74/61/41/588746141.db2.gz VVBDNTFRRNAKJG-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853496680 588746142 /nfs/dbraw/zinc/74/61/42/588746142.db2.gz VVBDNTFRRNAKJG-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@@H]2CCOC2)c(=O)o1 ZINC000853502447 588746457 /nfs/dbraw/zinc/74/64/57/588746457.db2.gz ZRTBBFBXLQBWME-VIFPVBQESA-N 1 2 227.264 0.071 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@@H]2CCOC2)c(=O)o1 ZINC000853502447 588746458 /nfs/dbraw/zinc/74/64/58/588746458.db2.gz ZRTBBFBXLQBWME-VIFPVBQESA-N 1 2 227.264 0.071 20 0 BCADLO Cc1nn(C[N@H+]2CCSCC[C@H]2C)c(=O)o1 ZINC000853509373 588746610 /nfs/dbraw/zinc/74/66/10/588746610.db2.gz YVSYWWZKLGTICQ-MRVPVSSYSA-N 1 2 243.332 0.930 20 0 BCADLO Cc1nn(C[N@@H+]2CCSCC[C@H]2C)c(=O)o1 ZINC000853509373 588746611 /nfs/dbraw/zinc/74/66/11/588746611.db2.gz YVSYWWZKLGTICQ-MRVPVSSYSA-N 1 2 243.332 0.930 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=O)o1 ZINC000853504765 588746849 /nfs/dbraw/zinc/74/68/49/588746849.db2.gz PFZVIJZKAYKSHC-SNVBAGLBSA-N 1 2 223.276 0.834 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=O)o1 ZINC000853504765 588746850 /nfs/dbraw/zinc/74/68/50/588746850.db2.gz PFZVIJZKAYKSHC-SNVBAGLBSA-N 1 2 223.276 0.834 20 0 BCADLO CO[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C[C@H]1C ZINC000853517646 588747346 /nfs/dbraw/zinc/74/73/46/588747346.db2.gz ZVTWWNRGQCZNAM-PSASIEDQSA-N 1 2 241.291 0.459 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C[C@H]1C ZINC000853517646 588747347 /nfs/dbraw/zinc/74/73/47/588747347.db2.gz ZVTWWNRGQCZNAM-PSASIEDQSA-N 1 2 241.291 0.459 20 0 BCADLO O=c1n(C[N@@H+]2CC[C@H]3C[C@H]3C2)nc2n1CCCC2 ZINC000853577634 588749618 /nfs/dbraw/zinc/74/96/18/588749618.db2.gz UOVLHEITJHJCIN-QWRGUYRKSA-N 1 2 248.330 0.680 20 0 BCADLO O=c1n(C[N@H+]2CC[C@H]3C[C@H]3C2)nc2n1CCCC2 ZINC000853577634 588749619 /nfs/dbraw/zinc/74/96/19/588749619.db2.gz UOVLHEITJHJCIN-QWRGUYRKSA-N 1 2 248.330 0.680 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@@H]2CC2(C)C)c(=O)n1C ZINC000853627411 588749843 /nfs/dbraw/zinc/74/98/43/588749843.db2.gz BQIOODPFTFUWOP-JTQLQIEISA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c(=O)n1C ZINC000853627411 588749844 /nfs/dbraw/zinc/74/98/44/588749844.db2.gz BQIOODPFTFUWOP-JTQLQIEISA-N 1 2 238.335 0.826 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@@](C)(C(F)F)O1 ZINC000853630248 588751110 /nfs/dbraw/zinc/75/11/10/588751110.db2.gz FHSAWPFJEYPKSB-SCZZXKLOSA-N 1 2 246.261 0.980 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@@](C)(C(F)F)O1 ZINC000853630248 588751111 /nfs/dbraw/zinc/75/11/11/588751111.db2.gz FHSAWPFJEYPKSB-SCZZXKLOSA-N 1 2 246.261 0.980 20 0 BCADLO Fc1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000853637435 588751306 /nfs/dbraw/zinc/75/13/06/588751306.db2.gz RKDYVPQJHHOWKK-UHFFFAOYSA-N 1 2 219.223 0.902 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@@H]1COCCO1 ZINC000853658811 588752914 /nfs/dbraw/zinc/75/29/14/588752914.db2.gz QECHAKPOCOCXDX-VIFPVBQESA-N 1 2 232.280 0.325 20 0 BCADLO Cn1c[nH+]cc1CCn1nc2n(c1=O)CCCC2 ZINC000853662916 588753873 /nfs/dbraw/zinc/75/38/73/588753873.db2.gz WKQGOBPEIOFCBC-UHFFFAOYSA-N 1 2 247.302 0.357 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)[C@@H](C)OC)OC ZINC000853674074 588754868 /nfs/dbraw/zinc/75/48/68/588754868.db2.gz QEPKMCDOCKAXHL-SFYZADRCSA-N 1 2 220.269 0.181 20 0 BCADLO COC(=O)C1(CO[NH+]=C(N)[C@@H](C)OC)CC1 ZINC000853674154 588754944 /nfs/dbraw/zinc/75/49/44/588754944.db2.gz SUTOIDRMUFLWSY-SSDOTTSWSA-N 1 2 230.264 0.473 20 0 BCADLO CCc1cc(NC[C@@H]2COCO2)nc[nH+]1 ZINC000853686878 588756299 /nfs/dbraw/zinc/75/62/99/588756299.db2.gz NFTNANQZYMISKE-SECBINFHSA-N 1 2 209.249 0.824 20 0 BCADLO NC(CCO)=[NH+]OCc1cc(C2CC2)no1 ZINC000853687204 588756396 /nfs/dbraw/zinc/75/63/96/588756396.db2.gz MDOTYPCAEZYROL-UHFFFAOYSA-N 1 2 225.248 0.933 20 0 BCADLO NC(=[NH+]OC[C@@H]1COCCO1)[C@@H]1CCCO1 ZINC000853697409 588757494 /nfs/dbraw/zinc/75/74/94/588757494.db2.gz HEEOXKMVKLFCMG-IUCAKERBSA-N 1 2 230.264 0.079 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698414 588757732 /nfs/dbraw/zinc/75/77/32/588757732.db2.gz QOAHERHLCUJVCN-JGVFFNPUSA-N 1 2 202.254 0.435 20 0 BCADLO CCOC(=O)NOCc1ccc[nH+]c1N ZINC000853727454 588759732 /nfs/dbraw/zinc/75/97/32/588759732.db2.gz QSFGHFPVJZHKDU-UHFFFAOYSA-N 1 2 211.221 0.842 20 0 BCADLO CCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853741479 588760843 /nfs/dbraw/zinc/76/08/43/588760843.db2.gz ITBOGZRJCFRSTN-UHFFFAOYSA-N 1 2 202.254 0.700 20 0 BCADLO CC(C)c1nc(N[C@H]2CCNC2=O)cc[nH+]1 ZINC000853744792 588761084 /nfs/dbraw/zinc/76/10/84/588761084.db2.gz WLZDXFCJQSODRE-QMMMGPOBSA-N 1 2 220.276 0.900 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)OC(C)(C)C ZINC000853812067 588764558 /nfs/dbraw/zinc/76/45/58/588764558.db2.gz NBWHOQJVBDJQKP-UHFFFAOYSA-N 1 2 239.275 0.710 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)OC(C)(C)C ZINC000853812067 588764559 /nfs/dbraw/zinc/76/45/59/588764559.db2.gz NBWHOQJVBDJQKP-UHFFFAOYSA-N 1 2 239.275 0.710 20 0 BCADLO Cc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000853867342 588766713 /nfs/dbraw/zinc/76/67/13/588766713.db2.gz JTRXOVQEUDFSAJ-LURJTMIESA-N 1 2 235.247 0.603 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC1(C(F)F)CC1 ZINC000854350282 588784918 /nfs/dbraw/zinc/78/49/18/588784918.db2.gz QIGQYIFBOSDHDX-UHFFFAOYSA-N 1 2 215.203 0.866 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1nncn1C1CC1 ZINC000854392952 588785667 /nfs/dbraw/zinc/78/56/67/588785667.db2.gz BTISVOKSLBCUIV-UHFFFAOYSA-N 1 2 232.247 0.517 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854445949 588787209 /nfs/dbraw/zinc/78/72/09/588787209.db2.gz REUIRCSDAASYMW-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)C1CCCC1 ZINC000854531110 588790846 /nfs/dbraw/zinc/79/08/46/588790846.db2.gz APXSHSPNFUZONC-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO CO[C@@](C)(CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854571220 588794741 /nfs/dbraw/zinc/79/47/41/588794741.db2.gz YDINOFITCGPTPV-LBPRGKRZSA-N 1 2 237.303 0.884 20 0 BCADLO CC(=O)CSCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594415 588796336 /nfs/dbraw/zinc/79/63/36/588796336.db2.gz LBPIGZQMMXMYKO-MRVPVSSYSA-N 1 2 241.316 0.909 20 0 BCADLO CCn1cnc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000854498516 588789573 /nfs/dbraw/zinc/78/95/73/588789573.db2.gz HCXMBGDCVVCLOV-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCn1cnc(C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000854684567 588801298 /nfs/dbraw/zinc/80/12/98/588801298.db2.gz BRBPTSVTGZNPTO-VIFPVBQESA-N 1 2 245.286 0.974 20 0 BCADLO C[NH+](C)CC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000854724235 588804286 /nfs/dbraw/zinc/80/42/86/588804286.db2.gz MMCXOISZYLSARN-SSDOTTSWSA-N 1 2 242.216 0.907 20 0 BCADLO C[NH+](C)CC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000854724235 588804287 /nfs/dbraw/zinc/80/42/87/588804287.db2.gz MMCXOISZYLSARN-SSDOTTSWSA-N 1 2 242.216 0.907 20 0 BCADLO C[C@H](CCCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854743810 588805023 /nfs/dbraw/zinc/80/50/23/588805023.db2.gz NKTYPTZSUGABFW-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO CC(C)ONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000854753957 588805792 /nfs/dbraw/zinc/80/57/92/588805792.db2.gz IFCKCVKLZJWRRF-SECBINFHSA-N 1 2 223.276 0.902 20 0 BCADLO CC1=NO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000854794266 588809939 /nfs/dbraw/zinc/80/99/39/588809939.db2.gz FNSCEPCUGRYHGS-JTQLQIEISA-N 1 2 236.275 0.554 20 0 BCADLO CC1=NO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000854796083 588810111 /nfs/dbraw/zinc/81/01/11/588810111.db2.gz GASFUFNFSUIHNI-VIFPVBQESA-N 1 2 222.248 0.164 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCOC1 ZINC000854806476 588811382 /nfs/dbraw/zinc/81/13/82/588811382.db2.gz OKQLILWJHGCJIF-UHFFFAOYSA-N 1 2 209.249 0.480 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000854822565 588812165 /nfs/dbraw/zinc/81/21/65/588812165.db2.gz QZJXZBVKWBTRBN-VHSXEESVSA-N 1 2 237.303 0.836 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCOC1 ZINC000854884875 588815516 /nfs/dbraw/zinc/81/55/16/588815516.db2.gz RSWBQCJUOCGEBL-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO COCC[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854932116 588817057 /nfs/dbraw/zinc/81/70/57/588817057.db2.gz YUCRVAVUZUFPKC-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000854937680 588817262 /nfs/dbraw/zinc/81/72/62/588817262.db2.gz QEYRAWZLYBSOIP-UTLUCORTSA-N 1 2 237.303 0.882 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](O)C(C)C ZINC000854938464 588817264 /nfs/dbraw/zinc/81/72/64/588817264.db2.gz MADLRQRMRGLPFE-CABZTGNLSA-N 1 2 239.319 0.864 20 0 BCADLO COC(=O)CC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000855018344 588820412 /nfs/dbraw/zinc/82/04/12/588820412.db2.gz ROCVBZFHMSAPOS-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000113237670 588827568 /nfs/dbraw/zinc/82/75/68/588827568.db2.gz ACDXEEBKUPMZNY-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000113237670 588827569 /nfs/dbraw/zinc/82/75/69/588827569.db2.gz ACDXEEBKUPMZNY-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@]1(C2CC2)CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000855295245 588827583 /nfs/dbraw/zinc/82/75/83/588827583.db2.gz JWVGCRKYVBUFMK-CYBMUJFWSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@H](O)C1CC1 ZINC000890721083 582515488 /nfs/dbraw/zinc/51/54/88/582515488.db2.gz WFJKRBIXHWSCSP-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](O)C1CC1 ZINC000890720874 582515772 /nfs/dbraw/zinc/51/57/72/582515772.db2.gz UJSJUWPJJPQXOA-NSHDSACASA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@H](O)C1CC1 ZINC000890720874 582515773 /nfs/dbraw/zinc/51/57/73/582515773.db2.gz UJSJUWPJJPQXOA-NSHDSACASA-N 1 2 237.303 0.538 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2C[C@@H]21 ZINC000804687804 582525909 /nfs/dbraw/zinc/52/59/09/582525909.db2.gz DTZNIQXEMLPMBA-APPZFPTMSA-N 1 2 215.260 0.962 20 0 BCADLO O=C(NN1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844143243 582575438 /nfs/dbraw/zinc/57/54/38/582575438.db2.gz ABHHENNPXJNSLG-JTQLQIEISA-N 1 2 234.303 0.573 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](O)C(F)(F)C1 ZINC000855443025 588837195 /nfs/dbraw/zinc/83/71/95/588837195.db2.gz MHTDWJMHHSDKIB-ZETCQYMHSA-N 1 2 245.229 0.181 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891041962 582599813 /nfs/dbraw/zinc/59/98/13/582599813.db2.gz LGFAMJCZSIFZHK-VHSXEESVSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891060570 582605844 /nfs/dbraw/zinc/60/58/44/582605844.db2.gz WBLGDCJRAQPNKL-NWDGAFQWSA-N 1 2 249.314 0.814 20 0 BCADLO C[C@H](CC(=O)O[C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC000845283767 582611197 /nfs/dbraw/zinc/61/11/97/582611197.db2.gz ZNZZFSYFCGKNTJ-RKDXNWHRSA-N 1 2 237.259 0.266 20 0 BCADLO C[C@@H](CC(=O)O[C@H]1CCNC1=O)n1cc[nH+]c1 ZINC000845283766 582611308 /nfs/dbraw/zinc/61/13/08/582611308.db2.gz ZNZZFSYFCGKNTJ-IUCAKERBSA-N 1 2 237.259 0.266 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868317751 582614003 /nfs/dbraw/zinc/61/40/03/582614003.db2.gz QEHJLRNULSYTKK-JGLYPNHGSA-N 1 2 238.331 0.790 20 0 BCADLO c1[nH+]cn2ccnc(N3CCOCC3)c12 ZINC000891400510 582677965 /nfs/dbraw/zinc/67/79/65/582677965.db2.gz BIXUJJQLERXBNO-UHFFFAOYSA-N 1 2 204.233 0.566 20 0 BCADLO COc1nccc(C[N@H+](C)CCO)c1F ZINC000891444686 582686735 /nfs/dbraw/zinc/68/67/35/582686735.db2.gz LQAHVENLTOXURC-UHFFFAOYSA-N 1 2 214.240 0.653 20 0 BCADLO COc1nccc(C[N@@H+](C)CCO)c1F ZINC000891444686 582686736 /nfs/dbraw/zinc/68/67/36/582686736.db2.gz LQAHVENLTOXURC-UHFFFAOYSA-N 1 2 214.240 0.653 20 0 BCADLO C[C@H](O)c1cccc(NCCOCCO)[nH+]1 ZINC000891460189 582690526 /nfs/dbraw/zinc/69/05/26/582690526.db2.gz OAECCRZHWRIWLB-VIFPVBQESA-N 1 2 226.276 0.556 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000891494560 582693309 /nfs/dbraw/zinc/69/33/09/582693309.db2.gz GCJNQPGYMGWBCS-UHFFFAOYSA-N 1 2 226.276 0.808 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000891494560 582693310 /nfs/dbraw/zinc/69/33/10/582693310.db2.gz GCJNQPGYMGWBCS-UHFFFAOYSA-N 1 2 226.276 0.808 20 0 BCADLO CN(C)C(=O)CN(C)c1nccn2c[nH+]cc12 ZINC000891511088 582694611 /nfs/dbraw/zinc/69/46/11/582694611.db2.gz NRLSCROSRYFMQA-UHFFFAOYSA-N 1 2 233.275 0.254 20 0 BCADLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC(N)=O ZINC000891581834 582698772 /nfs/dbraw/zinc/69/87/72/582698772.db2.gz NNORBANLJLCLSS-UHFFFAOYSA-N 1 2 238.335 0.998 20 0 BCADLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC(N)=O ZINC000891581834 582698774 /nfs/dbraw/zinc/69/87/74/582698774.db2.gz NNORBANLJLCLSS-UHFFFAOYSA-N 1 2 238.335 0.998 20 0 BCADLO CNc1cc(N[C@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000891913724 582737075 /nfs/dbraw/zinc/73/70/75/582737075.db2.gz LNRVAJXZDAOWBG-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CNc1cc(N[C@H](C)CN2CCCC2=O)[nH+]cn1 ZINC000891913724 582737077 /nfs/dbraw/zinc/73/70/77/582737077.db2.gz LNRVAJXZDAOWBG-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO C[C@H](O)c1cccc(NC[C@H]2COCCO2)[nH+]1 ZINC000891919248 582738031 /nfs/dbraw/zinc/73/80/31/582738031.db2.gz WVEBUPWHBTXPSP-UWVGGRQHSA-N 1 2 238.287 0.962 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)O2)c(C)c[nH+]1 ZINC000866859085 582764702 /nfs/dbraw/zinc/76/47/02/582764702.db2.gz JCNXXNJYFOCUCA-SNVBAGLBSA-N 1 2 234.255 0.764 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000892060822 582781445 /nfs/dbraw/zinc/78/14/45/582781445.db2.gz NERRXZNSSDGAJS-IUCAKERBSA-N 1 2 222.292 0.875 20 0 BCADLO CN(Cc1[nH+]ccn1C1CC1)[C@@H]1CCN(C)C1=O ZINC000892081192 582787429 /nfs/dbraw/zinc/78/74/29/582787429.db2.gz VTCSNHPOCKWACP-LLVKDONJSA-N 1 2 248.330 0.881 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000855869549 588852127 /nfs/dbraw/zinc/85/21/27/588852127.db2.gz OZWDLPVJMXQEIV-DTWKUNHWSA-N 1 2 223.276 0.324 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)cnc1F ZINC000892240561 582811785 /nfs/dbraw/zinc/81/17/85/582811785.db2.gz HGCKMPDXKKYUHT-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)cnc1F ZINC000892240561 582811786 /nfs/dbraw/zinc/81/17/86/582811786.db2.gz HGCKMPDXKKYUHT-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@@H]2CCNC2=O)c1C1CC1 ZINC000892240577 582811825 /nfs/dbraw/zinc/81/18/25/582811825.db2.gz HHOVLTJFZDVMNT-LLVKDONJSA-N 1 2 248.330 0.618 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)c1C1CC1 ZINC000892240577 582811826 /nfs/dbraw/zinc/81/18/26/582811826.db2.gz HHOVLTJFZDVMNT-LLVKDONJSA-N 1 2 248.330 0.618 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H]1CO ZINC000889137137 582837645 /nfs/dbraw/zinc/83/76/45/582837645.db2.gz WPVDLXDYLCOBKZ-JTQLQIEISA-N 1 2 223.276 0.257 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000856066153 588859087 /nfs/dbraw/zinc/85/90/87/588859087.db2.gz RWHPKWBMXJKCFY-RKDXNWHRSA-N 1 2 205.261 0.821 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@@H]1CCOC1 ZINC000892404856 582877298 /nfs/dbraw/zinc/87/72/98/582877298.db2.gz KSEMJXXQHJCTCP-SECBINFHSA-N 1 2 218.260 0.954 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782618369 582923634 /nfs/dbraw/zinc/92/36/34/582923634.db2.gz ASYIWTJSXMTOGM-HBNTYKKESA-N 1 2 249.376 0.919 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782618369 582923636 /nfs/dbraw/zinc/92/36/36/582923636.db2.gz ASYIWTJSXMTOGM-HBNTYKKESA-N 1 2 249.376 0.919 20 0 BCADLO CN(C)c1cc(N[C@H]2CCC(=O)N(C)C2)[nH+]cn1 ZINC000892615585 582930357 /nfs/dbraw/zinc/93/03/57/582930357.db2.gz UWSRHVMGXYQRJI-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CN(C)c1cc(N[C@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000892615585 582930359 /nfs/dbraw/zinc/93/03/59/582930359.db2.gz UWSRHVMGXYQRJI-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CNc1cc(N[C@H](C)COCCOC)nc[nH+]1 ZINC000892677639 582950669 /nfs/dbraw/zinc/95/06/69/582950669.db2.gz JEJOMIOEQOFFSX-SECBINFHSA-N 1 2 240.307 0.982 20 0 BCADLO CNc1cc(N[C@H](C)COCCOC)[nH+]cn1 ZINC000892677639 582950672 /nfs/dbraw/zinc/95/06/72/582950672.db2.gz JEJOMIOEQOFFSX-SECBINFHSA-N 1 2 240.307 0.982 20 0 BCADLO CCc1cc(NC(CO)CO)nc(CC)[nH+]1 ZINC000892681539 582952869 /nfs/dbraw/zinc/95/28/69/582952869.db2.gz KFNURCBPJQOPDY-UHFFFAOYSA-N 1 2 225.292 0.367 20 0 BCADLO Cc1cc(NC(CO)CO)nc(C2CCC2)[nH+]1 ZINC000892682344 582953148 /nfs/dbraw/zinc/95/31/48/582953148.db2.gz XJJDJLLIJTVCAP-UHFFFAOYSA-N 1 2 237.303 0.818 20 0 BCADLO OCCN(CC1CC1)c1nccn2c[nH+]cc12 ZINC000892687416 582955870 /nfs/dbraw/zinc/95/58/70/582955870.db2.gz ONSBZICSJXUXFL-UHFFFAOYSA-N 1 2 232.287 0.938 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851840675 582971326 /nfs/dbraw/zinc/97/13/26/582971326.db2.gz ABONSFGFQZHRJR-DTWKUNHWSA-N 1 2 229.276 0.575 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851840675 582971330 /nfs/dbraw/zinc/97/13/30/582971330.db2.gz ABONSFGFQZHRJR-DTWKUNHWSA-N 1 2 229.276 0.575 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281277 588866749 /nfs/dbraw/zinc/86/67/49/588866749.db2.gz NKCCTHADBGYZIP-RKDXNWHRSA-N 1 2 225.292 0.616 20 0 BCADLO CNc1cc(N[C@@H]2C=C[C@H](CO)C2)nc[nH+]1 ZINC000892786516 582982870 /nfs/dbraw/zinc/98/28/70/582982870.db2.gz SNVBJUPQOYOXIB-DTWKUNHWSA-N 1 2 220.276 0.867 20 0 BCADLO CNc1cc(N[C@@H]2C=C[C@H](CO)C2)[nH+]cn1 ZINC000892786516 582982873 /nfs/dbraw/zinc/98/28/73/582982873.db2.gz SNVBJUPQOYOXIB-DTWKUNHWSA-N 1 2 220.276 0.867 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000851969012 582986810 /nfs/dbraw/zinc/98/68/10/582986810.db2.gz XDEGZZFSTMWQCG-HOTUBEGUSA-N 1 2 236.319 0.742 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000851969012 582986813 /nfs/dbraw/zinc/98/68/13/582986813.db2.gz XDEGZZFSTMWQCG-HOTUBEGUSA-N 1 2 236.319 0.742 20 0 BCADLO CN(C)c1cc(N2CC[C@@](C)(O)C2)nc[nH+]1 ZINC000892807017 582987323 /nfs/dbraw/zinc/98/73/23/582987323.db2.gz PBSSOUKABUYDEG-LLVKDONJSA-N 1 2 222.292 0.504 20 0 BCADLO CN(C)c1cc(N2CC[C@@](C)(O)C2)[nH+]cn1 ZINC000892807017 582987325 /nfs/dbraw/zinc/98/73/25/582987325.db2.gz PBSSOUKABUYDEG-LLVKDONJSA-N 1 2 222.292 0.504 20 0 BCADLO CN(C[C@H](O)C1CC1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892850310 582995915 /nfs/dbraw/zinc/99/59/15/582995915.db2.gz GMXSCWIOJYEEET-VIFPVBQESA-N 1 2 249.318 0.538 20 0 BCADLO CN(C[C@H](O)C1CC1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892850310 582995919 /nfs/dbraw/zinc/99/59/19/582995919.db2.gz GMXSCWIOJYEEET-VIFPVBQESA-N 1 2 249.318 0.538 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)[C@@H]1CC(C)(C)OC1=O ZINC000852079076 582997030 /nfs/dbraw/zinc/99/70/30/582997030.db2.gz LJBMWOIYDZZUNL-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO Nc1nc(N[C@H](CO)CC2CC2)nc(C2CC2)[nH+]1 ZINC000892976099 583023953 /nfs/dbraw/zinc/02/39/53/583023953.db2.gz ADESXFMVIVZWGH-VIFPVBQESA-N 1 2 249.318 0.904 20 0 BCADLO Nc1nc(N[C@H](CO)CC2CC2)[nH+]c(C2CC2)n1 ZINC000892976099 583023954 /nfs/dbraw/zinc/02/39/54/583023954.db2.gz ADESXFMVIVZWGH-VIFPVBQESA-N 1 2 249.318 0.904 20 0 BCADLO CNc1cc(N[C@@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000892995432 583026805 /nfs/dbraw/zinc/02/68/05/583026805.db2.gz RQCBPHSUXIYGSH-VIFPVBQESA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(N[C@@H](CO)c2cnn(C)c2)[nH+]cn1 ZINC000892995432 583026807 /nfs/dbraw/zinc/02/68/07/583026807.db2.gz RQCBPHSUXIYGSH-VIFPVBQESA-N 1 2 248.290 0.397 20 0 BCADLO CC[C@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000893029565 583032476 /nfs/dbraw/zinc/03/24/76/583032476.db2.gz NIQSLJGBQKNNNS-CBAPKCEASA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@@H]1O ZINC000893029565 583032477 /nfs/dbraw/zinc/03/24/77/583032477.db2.gz NIQSLJGBQKNNNS-CBAPKCEASA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893030935 583033292 /nfs/dbraw/zinc/03/32/92/583033292.db2.gz USPHMRWEWJEWCK-MWLCHTKSSA-N 1 2 232.287 0.936 20 0 BCADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893030936 583033318 /nfs/dbraw/zinc/03/33/18/583033318.db2.gz USPHMRWEWJEWCK-ONGXEEELSA-N 1 2 232.287 0.936 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOCCF ZINC000856473357 588873306 /nfs/dbraw/zinc/87/33/06/588873306.db2.gz QZTHXZDXZPKMOF-UHFFFAOYSA-N 1 2 215.228 0.055 20 0 BCADLO CN(C)c1cc(N2CCC[C@@](C)(O)C2)nc[nH+]1 ZINC000893062577 583039797 /nfs/dbraw/zinc/03/97/97/583039797.db2.gz UUDNQJKJVYRRMF-GFCCVEGCSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@@](C)(O)C2)[nH+]cn1 ZINC000893062577 583039799 /nfs/dbraw/zinc/03/97/99/583039799.db2.gz UUDNQJKJVYRRMF-GFCCVEGCSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000893080908 583044600 /nfs/dbraw/zinc/04/46/00/583044600.db2.gz VAHNPFHNHPYZPN-SVRRBLITSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@@H]1O ZINC000893080908 583044603 /nfs/dbraw/zinc/04/46/03/583044603.db2.gz VAHNPFHNHPYZPN-SVRRBLITSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000893102538 583049851 /nfs/dbraw/zinc/04/98/51/583049851.db2.gz YQULWMUQBQTFDC-SFYZADRCSA-N 1 2 221.260 0.435 20 0 BCADLO C[C@@H](C[S@](C)=O)Nc1cc(N(C)C)nc[nH+]1 ZINC000893140571 583055996 /nfs/dbraw/zinc/05/59/96/583055996.db2.gz WKLUWZIHPSOFIV-PWJLMRLQSA-N 1 2 242.348 0.722 20 0 BCADLO Cn1ccnc(N2CCC[C@H]2c2[nH]cc[nH+]2)c1=O ZINC000856739631 588875780 /nfs/dbraw/zinc/87/57/80/588875780.db2.gz DCFJVEFLYMMQGW-VIFPVBQESA-N 1 2 245.286 0.845 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CC[C@@H]1O ZINC000893269798 583081541 /nfs/dbraw/zinc/08/15/41/583081541.db2.gz SIDBGASCORAUCP-KOLCDFICSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CC[C@H]1O ZINC000893269799 583081556 /nfs/dbraw/zinc/08/15/56/583081556.db2.gz SIDBGASCORAUCP-MWLCHTKSSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@H](O)c1cccc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000893274712 583082410 /nfs/dbraw/zinc/08/24/10/583082410.db2.gz QQLASHVBVBNFQP-ZJUUUORDSA-N 1 2 249.314 0.802 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C=CCC1 ZINC000855429893 583104034 /nfs/dbraw/zinc/10/40/34/583104034.db2.gz RCXNRQFKMDXDPL-QWRGUYRKSA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C=CCC1 ZINC000855429893 583104035 /nfs/dbraw/zinc/10/40/35/583104035.db2.gz RCXNRQFKMDXDPL-QWRGUYRKSA-N 1 2 224.304 0.542 20 0 BCADLO CCO/C=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000840593143 583109809 /nfs/dbraw/zinc/10/98/09/583109809.db2.gz ZEDQTIUPOVQQHB-IBHLPDHGSA-N 1 2 243.303 0.801 20 0 BCADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ncn(C)n1 ZINC000893368822 583128603 /nfs/dbraw/zinc/12/86/03/583128603.db2.gz ZZXYVJMFQVCQNV-MRVPVSSYSA-N 1 2 247.306 0.844 20 0 BCADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ncn(C)n1 ZINC000893368822 583128605 /nfs/dbraw/zinc/12/86/05/583128605.db2.gz ZZXYVJMFQVCQNV-MRVPVSSYSA-N 1 2 247.306 0.844 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1nccn2c[nH+]cc12 ZINC000893379113 583132803 /nfs/dbraw/zinc/13/28/03/583132803.db2.gz HBAUZGKUFDAVHZ-VIFPVBQESA-N 1 2 245.286 0.396 20 0 BCADLO C[C@@H](O)c1cccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000893378502 583133111 /nfs/dbraw/zinc/13/31/11/583133111.db2.gz CHVIOQHNPUMMSP-VHSXEESVSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893426013 583141330 /nfs/dbraw/zinc/14/13/30/583141330.db2.gz FJAYKIUWXHHEEX-BDAKNGLRSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893426013 583141332 /nfs/dbraw/zinc/14/13/32/583141332.db2.gz FJAYKIUWXHHEEX-BDAKNGLRSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857040313 588881724 /nfs/dbraw/zinc/88/17/24/588881724.db2.gz WWWVZXWHMXIDDQ-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857040313 588881725 /nfs/dbraw/zinc/88/17/25/588881725.db2.gz WWWVZXWHMXIDDQ-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO Cn1cc(C[N@H+](C)CCO)c(Cl)n1 ZINC000857011337 588881918 /nfs/dbraw/zinc/88/19/18/588881918.db2.gz BJWPXVBQSJRWOF-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1cc(C[N@@H+](C)CCO)c(Cl)n1 ZINC000857011337 588881919 /nfs/dbraw/zinc/88/19/19/588881919.db2.gz BJWPXVBQSJRWOF-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO CN(C)c1cc(N2CC[C@](C)(C(N)=O)C2)nc[nH+]1 ZINC000893639255 583183057 /nfs/dbraw/zinc/18/30/57/583183057.db2.gz XGCQTLNKYATTDZ-LBPRGKRZSA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CC[C@](C)(C(N)=O)C2)[nH+]cn1 ZINC000893639255 583183058 /nfs/dbraw/zinc/18/30/58/583183058.db2.gz XGCQTLNKYATTDZ-LBPRGKRZSA-N 1 2 249.318 0.244 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3ncnc3C2)c(C)n1 ZINC000893660411 583189443 /nfs/dbraw/zinc/18/94/43/583189443.db2.gz CSYFERKBSANDSR-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc(C[N@H+]2CCn3ncnc3C2)c(C)n1 ZINC000893660411 583189445 /nfs/dbraw/zinc/18/94/45/583189445.db2.gz CSYFERKBSANDSR-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO C[C@@H]([NH2+]Cc1cn(C)nc1Cl)C(N)=O ZINC000857040346 588883228 /nfs/dbraw/zinc/88/32/28/588883228.db2.gz RJVFJJNXGCTPCR-RXMQYKEDSA-N 1 2 216.672 0.037 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1C1CC1 ZINC000893682647 583198539 /nfs/dbraw/zinc/19/85/39/583198539.db2.gz UDAHAPNEDGNYJA-WDEREUQCSA-N 1 2 237.303 0.146 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccn1C1CC1 ZINC000893682647 583198542 /nfs/dbraw/zinc/19/85/42/583198542.db2.gz UDAHAPNEDGNYJA-WDEREUQCSA-N 1 2 237.303 0.146 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857049462 588883951 /nfs/dbraw/zinc/88/39/51/588883951.db2.gz LHFKJXHXFCATNT-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cn(C)nc1Cl ZINC000857049462 588883952 /nfs/dbraw/zinc/88/39/52/588883952.db2.gz LHFKJXHXFCATNT-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888858 583208971 /nfs/dbraw/zinc/20/89/71/583208971.db2.gz FCHIIUDIAUERHO-PSASIEDQSA-N 1 2 237.303 0.331 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@H](C2)O3)nc[nH+]1 ZINC000893717222 583212175 /nfs/dbraw/zinc/21/21/75/583212175.db2.gz SQNMQVMAGCEKIE-DTORHVGOSA-N 1 2 236.275 0.122 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]cn1 ZINC000893717222 583212177 /nfs/dbraw/zinc/21/21/77/583212177.db2.gz SQNMQVMAGCEKIE-DTORHVGOSA-N 1 2 236.275 0.122 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCOC2)c1 ZINC000893812442 583225709 /nfs/dbraw/zinc/22/57/09/583225709.db2.gz AYSRIOPHXVNLKK-QMMMGPOBSA-N 1 2 224.264 0.008 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)CSCC(C)=O ZINC000893872975 583238557 /nfs/dbraw/zinc/23/85/57/583238557.db2.gz MRRWDNCCGOYDRO-SNVBAGLBSA-N 1 2 244.360 0.519 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)CSCC(C)=O ZINC000893872975 583238558 /nfs/dbraw/zinc/23/85/58/583238558.db2.gz MRRWDNCCGOYDRO-SNVBAGLBSA-N 1 2 244.360 0.519 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1Cc1[nH+]ccn1C1CC1 ZINC000893886506 583242164 /nfs/dbraw/zinc/24/21/64/583242164.db2.gz VBBICGFGWXMEHG-SNVBAGLBSA-N 1 2 248.330 0.881 20 0 BCADLO CSc1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000893924251 583248904 /nfs/dbraw/zinc/24/89/04/583248904.db2.gz KCUCJOMFFUCZND-UHFFFAOYSA-N 1 2 214.290 0.919 20 0 BCADLO CSc1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000893924251 583248906 /nfs/dbraw/zinc/24/89/06/583248906.db2.gz KCUCJOMFFUCZND-UHFFFAOYSA-N 1 2 214.290 0.919 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1[nH]nc(C)c1C ZINC000893940833 583255017 /nfs/dbraw/zinc/25/50/17/583255017.db2.gz QSAQIXLEULHXHP-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1[nH]nc(C)c1C ZINC000893940833 583255018 /nfs/dbraw/zinc/25/50/18/583255018.db2.gz QSAQIXLEULHXHP-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCOC[C@@H]2C)C1(F)F ZINC000893963017 583257790 /nfs/dbraw/zinc/25/77/90/583257790.db2.gz XCJKTTFLQUVAEW-CIUDSAMLSA-N 1 2 249.257 0.761 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893963737 583257914 /nfs/dbraw/zinc/25/79/14/583257914.db2.gz GAZPCYBDILQRFI-ZETCQYMHSA-N 1 2 223.280 0.089 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893963737 583257916 /nfs/dbraw/zinc/25/79/16/583257916.db2.gz GAZPCYBDILQRFI-ZETCQYMHSA-N 1 2 223.280 0.089 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000893950142 583260487 /nfs/dbraw/zinc/26/04/87/583260487.db2.gz BHNQXUCFVKLYOP-MRVPVSSYSA-N 1 2 224.260 0.828 20 0 BCADLO CNc1cc(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)nc[nH+]1 ZINC000893950663 583260573 /nfs/dbraw/zinc/26/05/73/583260573.db2.gz KYJDQRLACJKCQV-VROVMSAKSA-N 1 2 248.286 0.374 20 0 BCADLO CNc1cc(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)[nH+]cn1 ZINC000893950663 583260576 /nfs/dbraw/zinc/26/05/76/583260576.db2.gz KYJDQRLACJKCQV-VROVMSAKSA-N 1 2 248.286 0.374 20 0 BCADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H](C)CCO ZINC000893955373 583261784 /nfs/dbraw/zinc/26/17/84/583261784.db2.gz OSHIRQSVWSHPOX-UWVGGRQHSA-N 1 2 217.309 0.935 20 0 BCADLO CCc1nnc(CNc2cc(N(C)C)nc[nH+]2)[nH]1 ZINC000894008105 583270242 /nfs/dbraw/zinc/27/02/42/583270242.db2.gz LROYBYVSRKDJBE-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO CCc1nnc(CNc2cc(N(C)C)[nH+]cn2)[nH]1 ZINC000894008105 583270245 /nfs/dbraw/zinc/27/02/45/583270245.db2.gz LROYBYVSRKDJBE-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO CCN1CN(Cc2[nH+]ccn2C2CC2)CC1=O ZINC000894001561 583272275 /nfs/dbraw/zinc/27/22/75/583272275.db2.gz ZYWWEGMQRXNZCF-UHFFFAOYSA-N 1 2 234.303 0.840 20 0 BCADLO COCC[N@H+](Cc1cc(C)co1)[C@H](C)C(N)=O ZINC000894006133 583273904 /nfs/dbraw/zinc/27/39/04/583273904.db2.gz QKDWMYNSDAQCCE-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1cc(C)co1)[C@H](C)C(N)=O ZINC000894006133 583273905 /nfs/dbraw/zinc/27/39/05/583273905.db2.gz QKDWMYNSDAQCCE-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO CCc1cc(N2CC(=O)N[C@H](C)C2)nc(CC)[nH+]1 ZINC000894070743 583296546 /nfs/dbraw/zinc/29/65/46/583296546.db2.gz GFKRGLCDOCOTND-SECBINFHSA-N 1 2 248.330 0.926 20 0 BCADLO CC(C)c1c[nH]c(CN(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000894094017 583300128 /nfs/dbraw/zinc/30/01/28/583300128.db2.gz IHZYVIMQJFCIFZ-SNVBAGLBSA-N 1 2 236.319 0.853 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000332786108 583301888 /nfs/dbraw/zinc/30/18/88/583301888.db2.gz JCQNDPZWHFVGGO-OUAUKWLOSA-N 1 2 241.335 0.272 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000332786108 583301889 /nfs/dbraw/zinc/30/18/89/583301889.db2.gz JCQNDPZWHFVGGO-OUAUKWLOSA-N 1 2 241.335 0.272 20 0 BCADLO Nc1nc(N[C@H]2C[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000894120453 583309957 /nfs/dbraw/zinc/30/99/57/583309957.db2.gz XEEBPBCORRSJHR-KNVOCYPGSA-N 1 2 221.264 0.266 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894126371 583312587 /nfs/dbraw/zinc/31/25/87/583312587.db2.gz AHDUCEFUKPUDBD-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894126371 583312588 /nfs/dbraw/zinc/31/25/88/583312588.db2.gz AHDUCEFUKPUDBD-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894168854 583324433 /nfs/dbraw/zinc/32/44/33/583324433.db2.gz WWLFZSBPZZDVLR-QMMMGPOBSA-N 1 2 245.348 0.758 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894169877 583325707 /nfs/dbraw/zinc/32/57/07/583325707.db2.gz SQMYHKVUPOLMDQ-QXFUBDJGSA-N 1 2 226.276 0.289 20 0 BCADLO CCCN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726260001 583343710 /nfs/dbraw/zinc/34/37/10/583343710.db2.gz XPRYLALJSXVKJS-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726260001 583343711 /nfs/dbraw/zinc/34/37/11/583343711.db2.gz XPRYLALJSXVKJS-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726260345 583344001 /nfs/dbraw/zinc/34/40/01/583344001.db2.gz MLCGGFKVBCKKBM-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726260345 583344004 /nfs/dbraw/zinc/34/40/04/583344004.db2.gz MLCGGFKVBCKKBM-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000867524169 583346944 /nfs/dbraw/zinc/34/69/44/583346944.db2.gz PFBQEOPTDFSILY-VHSKPIJISA-N 1 2 249.270 0.166 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000857236367 588899995 /nfs/dbraw/zinc/89/99/95/588899995.db2.gz ZZMQEOQXKCBXMS-UHFFFAOYSA-N 1 2 224.304 0.821 20 0 BCADLO O=C1CCN1C[N@H+]1CCOC2(CCCC2)C1 ZINC000857236367 588899996 /nfs/dbraw/zinc/89/99/96/588899996.db2.gz ZZMQEOQXKCBXMS-UHFFFAOYSA-N 1 2 224.304 0.821 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878039618 583356199 /nfs/dbraw/zinc/35/61/99/583356199.db2.gz ACPXSDLTPXBXGV-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878039618 583356203 /nfs/dbraw/zinc/35/62/03/583356203.db2.gz ACPXSDLTPXBXGV-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@@H+](CC1=CCSC1)CN1CCC1=O ZINC000857238163 588900831 /nfs/dbraw/zinc/90/08/31/588900831.db2.gz GLDFFPAYQSILBD-UHFFFAOYSA-N 1 2 212.318 0.781 20 0 BCADLO C[N@H+](CC1=CCSC1)CN1CCC1=O ZINC000857238163 588900833 /nfs/dbraw/zinc/90/08/33/588900833.db2.gz GLDFFPAYQSILBD-UHFFFAOYSA-N 1 2 212.318 0.781 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726791811 583374527 /nfs/dbraw/zinc/37/45/27/583374527.db2.gz QFUWETNGZQSGCO-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726791811 583374528 /nfs/dbraw/zinc/37/45/28/583374528.db2.gz QFUWETNGZQSGCO-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCCNC(=O)C1 ZINC000726790151 583374709 /nfs/dbraw/zinc/37/47/09/583374709.db2.gz AGFYRFYNSCVXNM-JTQLQIEISA-N 1 2 219.288 0.965 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCCNC(=O)C1 ZINC000726790151 583374713 /nfs/dbraw/zinc/37/47/13/583374713.db2.gz AGFYRFYNSCVXNM-JTQLQIEISA-N 1 2 219.288 0.965 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726791810 583374863 /nfs/dbraw/zinc/37/48/63/583374863.db2.gz QFUWETNGZQSGCO-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726791810 583374864 /nfs/dbraw/zinc/37/48/64/583374864.db2.gz QFUWETNGZQSGCO-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@H](O)C(C)C)C1 ZINC000878681394 583392793 /nfs/dbraw/zinc/39/27/93/583392793.db2.gz PRNOJPOJSUSBHA-NSHDSACASA-N 1 2 249.376 0.512 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC(=O)N1 ZINC000878680054 583392991 /nfs/dbraw/zinc/39/29/91/583392991.db2.gz OZOPTYCUPGCCNA-WYUUTHIRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC(=O)N1 ZINC000878680054 583392992 /nfs/dbraw/zinc/39/29/92/583392992.db2.gz OZOPTYCUPGCCNA-WYUUTHIRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC(=O)N1 ZINC000878679990 583393073 /nfs/dbraw/zinc/39/30/73/583393073.db2.gz OZOPTYCUPGCCNA-RHYQMDGZSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC(=O)N1 ZINC000878679990 583393074 /nfs/dbraw/zinc/39/30/74/583393074.db2.gz OZOPTYCUPGCCNA-RHYQMDGZSA-N 1 2 238.331 0.764 20 0 BCADLO O=C1CCN1C[NH+]1CCN(c2ccccc2)CC1 ZINC000857228635 588896601 /nfs/dbraw/zinc/89/66/01/588896601.db2.gz CVZWHQNDALMGPJ-UHFFFAOYSA-N 1 2 245.326 0.998 20 0 BCADLO O=C1CCN1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000857233325 588898363 /nfs/dbraw/zinc/89/83/63/588898363.db2.gz APEIONJDUGCUQT-JTQLQIEISA-N 1 2 210.277 0.287 20 0 BCADLO O=C1CCN1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000857233325 588898364 /nfs/dbraw/zinc/89/83/64/588898364.db2.gz APEIONJDUGCUQT-JTQLQIEISA-N 1 2 210.277 0.287 20 0 BCADLO CC(=O)NCCN(C)c1nccn2c[nH+]cc12 ZINC000894354082 583434288 /nfs/dbraw/zinc/43/42/88/583434288.db2.gz JQBWRPMOSWAVSA-UHFFFAOYSA-N 1 2 233.275 0.302 20 0 BCADLO C[N@H+](CCc1nccs1)CN1CCC1=O ZINC000857234277 588898679 /nfs/dbraw/zinc/89/86/79/588898679.db2.gz PERBPXNYHYIUIY-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO C[N@@H+](CCc1nccs1)CN1CCC1=O ZINC000857234277 588898680 /nfs/dbraw/zinc/89/86/80/588898680.db2.gz PERBPXNYHYIUIY-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CNc1cc(N2CN(C)C(=O)[C@@H]2C)[nH+]cn1 ZINC000894365654 583438505 /nfs/dbraw/zinc/43/85/05/583438505.db2.gz ZDSWRJMTKXNCPQ-ZETCQYMHSA-N 1 2 221.264 0.143 20 0 BCADLO CNc1cc(N2CN(C)C(=O)[C@@H]2C)nc[nH+]1 ZINC000894365654 583438501 /nfs/dbraw/zinc/43/85/01/583438501.db2.gz ZDSWRJMTKXNCPQ-ZETCQYMHSA-N 1 2 221.264 0.143 20 0 BCADLO O=C1CCN1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000857235320 588898895 /nfs/dbraw/zinc/89/88/95/588898895.db2.gz QCEMAEYUNBTRPF-MRVPVSSYSA-N 1 2 238.209 0.175 20 0 BCADLO O=C1CCN1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000857235320 588898897 /nfs/dbraw/zinc/89/88/97/588898897.db2.gz QCEMAEYUNBTRPF-MRVPVSSYSA-N 1 2 238.209 0.175 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)C[C@@H](C2CC2)O1 ZINC000857234797 588898909 /nfs/dbraw/zinc/89/89/09/588898909.db2.gz MOUNBANAMSBREF-KOLCDFICSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)C[C@@H](C2CC2)O1 ZINC000857234797 588898911 /nfs/dbraw/zinc/89/89/11/588898911.db2.gz MOUNBANAMSBREF-KOLCDFICSA-N 1 2 224.304 0.676 20 0 BCADLO O=C1CCN1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000857235321 588898974 /nfs/dbraw/zinc/89/89/74/588898974.db2.gz QCEMAEYUNBTRPF-QMMMGPOBSA-N 1 2 238.209 0.175 20 0 BCADLO O=C1CCN1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000857235321 588898975 /nfs/dbraw/zinc/89/89/75/588898975.db2.gz QCEMAEYUNBTRPF-QMMMGPOBSA-N 1 2 238.209 0.175 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](CN1CCC1=O)CCO2 ZINC000857234803 588899075 /nfs/dbraw/zinc/89/90/75/588899075.db2.gz MPMXCTDEVOKCNH-JQWIXIFHSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](CN1CCC1=O)CCO2 ZINC000857234803 588899077 /nfs/dbraw/zinc/89/90/77/588899077.db2.gz MPMXCTDEVOKCNH-JQWIXIFHSA-N 1 2 240.303 0.056 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000894389606 583445588 /nfs/dbraw/zinc/44/55/88/583445588.db2.gz UPBIKRSBDPXKMY-OCAPTIKFSA-N 1 2 235.291 0.218 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000894389606 583445589 /nfs/dbraw/zinc/44/55/89/583445589.db2.gz UPBIKRSBDPXKMY-OCAPTIKFSA-N 1 2 235.291 0.218 20 0 BCADLO C[C@@H](CCO)N(C)c1nccn2c[nH+]cc12 ZINC000894404887 583450261 /nfs/dbraw/zinc/45/02/61/583450261.db2.gz BABATIKUCDNKAW-VIFPVBQESA-N 1 2 220.276 0.936 20 0 BCADLO O=C1CCN1C[NH+]1CCC(c2ccncn2)CC1 ZINC000857235827 588899868 /nfs/dbraw/zinc/89/98/68/588899868.db2.gz AXBFHTYXBWQWIJ-UHFFFAOYSA-N 1 2 246.314 0.846 20 0 BCADLO CCOCCOC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894416945 583454285 /nfs/dbraw/zinc/45/42/85/583454285.db2.gz YHTHUVYOTAHLHB-UHFFFAOYSA-N 1 2 225.292 0.647 20 0 BCADLO CCOCCOC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894416945 583454286 /nfs/dbraw/zinc/45/42/86/583454286.db2.gz YHTHUVYOTAHLHB-UHFFFAOYSA-N 1 2 225.292 0.647 20 0 BCADLO CC(C)c1c[nH]c(CN2CC(=O)N(C)C2)[nH+]1 ZINC000894433410 583458914 /nfs/dbraw/zinc/45/89/14/583458914.db2.gz MBUAYOBRDGMCDQ-UHFFFAOYSA-N 1 2 222.292 0.765 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000894454725 583463073 /nfs/dbraw/zinc/46/30/73/583463073.db2.gz VQCZRTAPUABKMQ-UHFFFAOYSA-N 1 2 222.292 0.641 20 0 BCADLO C[C@H]1CC(=O)NCCN1Cc1[nH+]ccn1C1CC1 ZINC000894493118 583473817 /nfs/dbraw/zinc/47/38/17/583473817.db2.gz SVAWBUXSPGUZMU-JTQLQIEISA-N 1 2 248.330 0.928 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1nccn1C1CC1 ZINC000894493118 583473820 /nfs/dbraw/zinc/47/38/20/583473820.db2.gz SVAWBUXSPGUZMU-JTQLQIEISA-N 1 2 248.330 0.928 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1nccn1C1CC1 ZINC000894493118 583473821 /nfs/dbraw/zinc/47/38/21/583473821.db2.gz SVAWBUXSPGUZMU-JTQLQIEISA-N 1 2 248.330 0.928 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000894540235 583480674 /nfs/dbraw/zinc/48/06/74/583480674.db2.gz FYBMUPBOFPVJMK-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000894540235 583480676 /nfs/dbraw/zinc/48/06/76/583480676.db2.gz FYBMUPBOFPVJMK-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CN(C[C@@H]1COCCO1)c1nccn2c[nH+]cc12 ZINC000894545064 583481723 /nfs/dbraw/zinc/48/17/23/583481723.db2.gz NQWDXWFXTRXWNN-SNVBAGLBSA-N 1 2 248.286 0.581 20 0 BCADLO O[C@]12C[C@H]1CN(c1nccn3c[nH+]cc13)CC2 ZINC000894564451 583483985 /nfs/dbraw/zinc/48/39/85/583483985.db2.gz BBOBMCQYXNVCER-JOYOIKCWSA-N 1 2 230.271 0.690 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000894593930 583492770 /nfs/dbraw/zinc/49/27/70/583492770.db2.gz WFDHWDJPCJUHEZ-UHFFFAOYSA-N 1 2 226.276 0.986 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000894593930 583492773 /nfs/dbraw/zinc/49/27/73/583492773.db2.gz WFDHWDJPCJUHEZ-UHFFFAOYSA-N 1 2 226.276 0.986 20 0 BCADLO Cc1ccnc(N)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000894678446 583505364 /nfs/dbraw/zinc/50/53/64/583505364.db2.gz BRNWEGDSBCJTFE-PHIMTYICSA-N 1 2 249.314 0.572 20 0 BCADLO Cc1ccnc(N)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000894678446 583505365 /nfs/dbraw/zinc/50/53/65/583505365.db2.gz BRNWEGDSBCJTFE-PHIMTYICSA-N 1 2 249.314 0.572 20 0 BCADLO Cc1ccnc(N)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000894686573 583506852 /nfs/dbraw/zinc/50/68/52/583506852.db2.gz SJPMSCQUHWLHPQ-GFCCVEGCSA-N 1 2 239.294 0.879 20 0 BCADLO Cc1ccnc(N)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000894686573 583506853 /nfs/dbraw/zinc/50/68/53/583506853.db2.gz SJPMSCQUHWLHPQ-GFCCVEGCSA-N 1 2 239.294 0.879 20 0 BCADLO CCn1nncc1CNc1cc(N(C)C)nc[nH+]1 ZINC000894699125 583510169 /nfs/dbraw/zinc/51/01/69/583510169.db2.gz FYIGWQUPQWPFCX-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CCn1nncc1CNc1cc(N(C)C)[nH+]cn1 ZINC000894699125 583510170 /nfs/dbraw/zinc/51/01/70/583510170.db2.gz FYIGWQUPQWPFCX-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894737679 583514734 /nfs/dbraw/zinc/51/47/34/583514734.db2.gz CRTLZFNAVREWQN-SECBINFHSA-N 1 2 224.260 0.738 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894737679 583514736 /nfs/dbraw/zinc/51/47/36/583514736.db2.gz CRTLZFNAVREWQN-SECBINFHSA-N 1 2 224.260 0.738 20 0 BCADLO Cc1c[nH]c(CNc2ncnc3c2nnn3C)[nH+]1 ZINC000894791079 583520725 /nfs/dbraw/zinc/52/07/25/583520725.db2.gz SFQMFKRDDIECQF-UHFFFAOYSA-N 1 2 244.262 0.402 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH+]2CC(C)(OC)C2)C1(F)F ZINC000894781469 583520747 /nfs/dbraw/zinc/52/07/47/583520747.db2.gz PUJHVAOQFQBJEO-HTQZYQBOSA-N 1 2 249.257 0.761 20 0 BCADLO C[C@@H]1CC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806037 583522615 /nfs/dbraw/zinc/52/26/15/583522615.db2.gz JEBNBAAERIGGPL-SCZZXKLOSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@@H]1CC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806037 583522617 /nfs/dbraw/zinc/52/26/17/583522617.db2.gz JEBNBAAERIGGPL-SCZZXKLOSA-N 1 2 222.292 0.385 20 0 BCADLO CC[C@H]1CC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894807201 583523467 /nfs/dbraw/zinc/52/34/67/583523467.db2.gz WFRKXPKCRFNCAE-ONGXEEELSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@H]1CC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894807201 583523470 /nfs/dbraw/zinc/52/34/70/583523470.db2.gz WFRKXPKCRFNCAE-ONGXEEELSA-N 1 2 236.319 0.775 20 0 BCADLO CO[C@@H](C)[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894810254 583523491 /nfs/dbraw/zinc/52/34/91/583523491.db2.gz STQJZTSXFSJDTJ-IUCAKERBSA-N 1 2 240.307 0.009 20 0 BCADLO CO[C@@H](C)[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894810254 583523494 /nfs/dbraw/zinc/52/34/94/583523494.db2.gz STQJZTSXFSJDTJ-IUCAKERBSA-N 1 2 240.307 0.009 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccnn2C2CCC2)C1 ZINC000894838217 583529223 /nfs/dbraw/zinc/52/92/23/583529223.db2.gz XUSMGEWGMDHHEI-UHFFFAOYSA-N 1 2 248.330 0.786 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000894860291 583534691 /nfs/dbraw/zinc/53/46/91/583534691.db2.gz JNJGBBCMTRUQLH-HTQZYQBOSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000894860291 583534693 /nfs/dbraw/zinc/53/46/93/583534693.db2.gz JNJGBBCMTRUQLH-HTQZYQBOSA-N 1 2 244.316 0.767 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880486915 583544545 /nfs/dbraw/zinc/54/45/45/583544545.db2.gz QRFMKUUESCQYGF-LLVKDONJSA-N 1 2 247.360 0.432 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C[C@@H]1CO ZINC000880486915 583544546 /nfs/dbraw/zinc/54/45/46/583544546.db2.gz QRFMKUUESCQYGF-LLVKDONJSA-N 1 2 247.360 0.432 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2ncncc2C1 ZINC000880593776 583547914 /nfs/dbraw/zinc/54/79/14/583547914.db2.gz IQUHXLAUUOKBPL-SECBINFHSA-N 1 2 234.303 0.311 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2ncncc2C1 ZINC000880593776 583547916 /nfs/dbraw/zinc/54/79/16/583547916.db2.gz IQUHXLAUUOKBPL-SECBINFHSA-N 1 2 234.303 0.311 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)COC(C)=O ZINC000894897159 583551024 /nfs/dbraw/zinc/55/10/24/583551024.db2.gz JQYWVHCUYPKSRN-KWQFWETISA-N 1 2 243.303 0.869 20 0 BCADLO Cc1coc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000894903262 583552371 /nfs/dbraw/zinc/55/23/71/583552371.db2.gz PNYGAYQZQAOBST-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1coc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000894903262 583552373 /nfs/dbraw/zinc/55/23/73/583552373.db2.gz PNYGAYQZQAOBST-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC/C=C\Cl ZINC000894914746 583555683 /nfs/dbraw/zinc/55/56/83/583555683.db2.gz XSTLOYMJWAVYDY-IHWYPQMZSA-N 1 2 228.683 0.972 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@H]1CCO1 ZINC000894972263 583561359 /nfs/dbraw/zinc/56/13/59/583561359.db2.gz OUGRUBCJQIZPNU-GXSJLCMTSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCSCC1 ZINC000894971740 583561516 /nfs/dbraw/zinc/56/15/16/583561516.db2.gz GHHYDRBRDPUGLA-LLVKDONJSA-N 1 2 247.360 0.643 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H]1CCSC1 ZINC000894973129 583562212 /nfs/dbraw/zinc/56/22/12/583562212.db2.gz XYHCRYZLKXIFRL-PSASIEDQSA-N 1 2 233.333 0.253 20 0 BCADLO CCc1cc(NC[C@H](O)[C@H](C)O)nc(CC)[nH+]1 ZINC000894988360 583565149 /nfs/dbraw/zinc/56/51/49/583565149.db2.gz DKNMWGILSCTRBD-WPRPVWTQSA-N 1 2 239.319 0.755 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1C ZINC000895013520 583567886 /nfs/dbraw/zinc/56/78/86/583567886.db2.gz BRQKKXKNLQHJJK-ZYHUDNBSSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1C ZINC000895013520 583567887 /nfs/dbraw/zinc/56/78/87/583567887.db2.gz BRQKKXKNLQHJJK-ZYHUDNBSSA-N 1 2 239.319 0.608 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1[nH]nc(C)c1C ZINC000895079206 583582355 /nfs/dbraw/zinc/58/23/55/583582355.db2.gz PJIAUMKMIOIKEY-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1[nH]nc(C)c1C ZINC000895079206 583582356 /nfs/dbraw/zinc/58/23/56/583582356.db2.gz PJIAUMKMIOIKEY-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(F)CC1 ZINC000857884115 588913703 /nfs/dbraw/zinc/91/37/03/588913703.db2.gz CEHYACJPYYHSCK-ZETCQYMHSA-N 1 2 209.224 0.426 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)N(Cc2c[nH+]c[nH]2)[C@H]1C ZINC000895121405 583596068 /nfs/dbraw/zinc/59/60/68/583596068.db2.gz QDOKXZNJYQYKCG-CIUDSAMLSA-N 1 2 222.292 0.507 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)N(Cc2c[nH]c[nH+]2)[C@H]1C ZINC000895121405 583596069 /nfs/dbraw/zinc/59/60/69/583596069.db2.gz QDOKXZNJYQYKCG-CIUDSAMLSA-N 1 2 222.292 0.507 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1ocnc1C ZINC000895142987 583603721 /nfs/dbraw/zinc/60/37/21/583603721.db2.gz ZRYVMIYWTXJZAC-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO O[C@]12C[C@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000895156898 583607952 /nfs/dbraw/zinc/60/79/52/583607952.db2.gz NWQOFFDUFMMMAO-KWQFWETISA-N 1 2 216.244 0.300 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000895156899 583608078 /nfs/dbraw/zinc/60/80/78/583608078.db2.gz NWQOFFDUFMMMAO-LDYMZIIASA-N 1 2 216.244 0.300 20 0 BCADLO CCONC(=O)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000895176356 583616006 /nfs/dbraw/zinc/61/60/06/583616006.db2.gz QTMCNFCWBLFYMG-BMQDGWLCSA-N 1 2 242.319 0.601 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000895181354 583617916 /nfs/dbraw/zinc/61/79/16/583617916.db2.gz HWELTPFKTGSNFV-DTORHVGOSA-N 1 2 204.277 0.999 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000895181354 583617918 /nfs/dbraw/zinc/61/79/18/583617918.db2.gz HWELTPFKTGSNFV-DTORHVGOSA-N 1 2 204.277 0.999 20 0 BCADLO C[C@@H]([NH2+]Cc1ccco1)C1N=NC(=O)N1C ZINC000895184119 583618642 /nfs/dbraw/zinc/61/86/42/583618642.db2.gz PSMVUWYRENLGMJ-SSDOTTSWSA-N 1 2 222.248 0.965 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCCF ZINC000895303072 583644790 /nfs/dbraw/zinc/64/47/90/583644790.db2.gz CWBCZIUXALCVGJ-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCCF ZINC000895303072 583644792 /nfs/dbraw/zinc/64/47/92/583644792.db2.gz CWBCZIUXALCVGJ-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C(=O)NCC2(C)C)o1 ZINC000895321039 583649319 /nfs/dbraw/zinc/64/93/19/583649319.db2.gz JVYJRIBVHFWZAP-VIFPVBQESA-N 1 2 223.276 0.597 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000895321111 583649367 /nfs/dbraw/zinc/64/93/67/583649367.db2.gz LQDOIDCNGZHLOL-LLVKDONJSA-N 1 2 248.330 0.444 20 0 BCADLO CNC(=O)CN(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000895351326 583656914 /nfs/dbraw/zinc/65/69/14/583656914.db2.gz HXFGXCZSMTXKJM-UHFFFAOYSA-N 1 2 224.308 0.711 20 0 BCADLO Cc1occc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895371354 583661846 /nfs/dbraw/zinc/66/18/46/583661846.db2.gz PLESJUYYVQWXLQ-ZJUUUORDSA-N 1 2 224.260 0.009 20 0 BCADLO Cc1occc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895371354 583661848 /nfs/dbraw/zinc/66/18/48/583661848.db2.gz PLESJUYYVQWXLQ-ZJUUUORDSA-N 1 2 224.260 0.009 20 0 BCADLO C[N@H+](CC1(C)CC1)C1CS(=O)(=O)C1 ZINC000895396704 583664559 /nfs/dbraw/zinc/66/45/59/583664559.db2.gz BFUKVWHLZBXYBC-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO C[N@@H+](CC1(C)CC1)C1CS(=O)(=O)C1 ZINC000895396704 583664560 /nfs/dbraw/zinc/66/45/60/583664560.db2.gz BFUKVWHLZBXYBC-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396906 583664618 /nfs/dbraw/zinc/66/46/18/583664618.db2.gz DNNRWXRNTFQYNV-HTQZYQBOSA-N 1 2 203.307 0.371 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396906 583664619 /nfs/dbraw/zinc/66/46/19/583664619.db2.gz DNNRWXRNTFQYNV-HTQZYQBOSA-N 1 2 203.307 0.371 20 0 BCADLO C[N@H+](CC1CCSCC1)C1CS(=O)(=O)C1 ZINC000895399537 583665856 /nfs/dbraw/zinc/66/58/56/583665856.db2.gz PLZDPSIBJUVQOK-UHFFFAOYSA-N 1 2 249.401 0.858 20 0 BCADLO C[N@@H+](CC1CCSCC1)C1CS(=O)(=O)C1 ZINC000895399537 583665857 /nfs/dbraw/zinc/66/58/57/583665857.db2.gz PLZDPSIBJUVQOK-UHFFFAOYSA-N 1 2 249.401 0.858 20 0 BCADLO CC[C@](C)(C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398987 583666191 /nfs/dbraw/zinc/66/61/91/583666191.db2.gz HCJXUVWUDRCLSJ-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CC[C@](C)(C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398987 583666192 /nfs/dbraw/zinc/66/61/92/583666192.db2.gz HCJXUVWUDRCLSJ-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884815 588920394 /nfs/dbraw/zinc/92/03/94/588920394.db2.gz GCJFDPPWFBHBPO-PSASIEDQSA-N 1 2 234.259 0.089 20 0 BCADLO O=C(/C=C/[C@@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884636 588920656 /nfs/dbraw/zinc/92/06/56/588920656.db2.gz DSSIDQOMVKTILL-OIDVMBJGSA-N 1 2 247.298 0.517 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885605 588920743 /nfs/dbraw/zinc/92/07/43/588920743.db2.gz XFYHUGGJUAPSHG-RZCNENHTSA-N 1 2 235.287 0.517 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000895460827 583678030 /nfs/dbraw/zinc/67/80/30/583678030.db2.gz VNDISTFVSAIOTC-MNOVXSKESA-N 1 2 239.319 0.461 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000895460827 583678032 /nfs/dbraw/zinc/67/80/32/583678032.db2.gz VNDISTFVSAIOTC-MNOVXSKESA-N 1 2 239.319 0.461 20 0 BCADLO O=C(/C=C\C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890441 588920975 /nfs/dbraw/zinc/92/09/75/588920975.db2.gz VMTGPYXDIBUARL-UMBAGQNISA-N 1 2 217.272 0.890 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnn1C1CCC1 ZINC000895473367 583679438 /nfs/dbraw/zinc/67/94/38/583679438.db2.gz PCXRMBDSWYDGPO-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000895473367 583679440 /nfs/dbraw/zinc/67/94/40/583679440.db2.gz PCXRMBDSWYDGPO-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO O=C(CC1(O)CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888908 588920995 /nfs/dbraw/zinc/92/09/95/588920995.db2.gz GFGXTXJVBAXLIF-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO CCOc1ccc(C[N@H+](C)CC(=O)NC)o1 ZINC000895474778 583679547 /nfs/dbraw/zinc/67/95/47/583679547.db2.gz ZGPIFHWXSOPKGR-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO CCOc1ccc(C[N@@H+](C)CC(=O)NC)o1 ZINC000895474778 583679549 /nfs/dbraw/zinc/67/95/49/583679549.db2.gz ZGPIFHWXSOPKGR-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO O=C(C[C@H]1CCCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890286 588921090 /nfs/dbraw/zinc/92/10/90/588921090.db2.gz SUJYBWFOFZZETQ-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO CS/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888782 588921135 /nfs/dbraw/zinc/92/11/35/588921135.db2.gz DBGFIXUVIOYNLN-UFUPEUMYSA-N 1 2 223.301 0.801 20 0 BCADLO O=C(/C=C/C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890439 588921280 /nfs/dbraw/zinc/92/12/80/588921280.db2.gz VMTGPYXDIBUARL-FSIBCCDJSA-N 1 2 217.272 0.890 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccc(F)n1 ZINC000857890433 588921288 /nfs/dbraw/zinc/92/12/88/588921288.db2.gz VKJVKYTZLAQKFJ-QMMMGPOBSA-N 1 2 246.245 0.772 20 0 BCADLO CC1(OCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000857888723 588921292 /nfs/dbraw/zinc/92/12/92/588921292.db2.gz BTHBZORZACBAKQ-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ncccn1 ZINC000857889904 588921346 /nfs/dbraw/zinc/92/13/46/588921346.db2.gz OSMXMPHOKAUSKQ-QMMMGPOBSA-N 1 2 229.243 0.028 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000895524222 583686076 /nfs/dbraw/zinc/68/60/76/583686076.db2.gz HSFXBSPYDZEBAE-DTWKUNHWSA-N 1 2 238.291 0.397 20 0 BCADLO C[C@H]1Cc2c[nH+]ccc2N1S(C)(=O)=O ZINC000857900217 588922121 /nfs/dbraw/zinc/92/21/21/588922121.db2.gz ZDOWKCPSADJDIU-ZETCQYMHSA-N 1 2 212.274 0.792 20 0 BCADLO CONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895621879 583697219 /nfs/dbraw/zinc/69/72/19/583697219.db2.gz CSOQORYKKMZMNC-SECBINFHSA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895621879 583697220 /nfs/dbraw/zinc/69/72/20/583697220.db2.gz CSOQORYKKMZMNC-SECBINFHSA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895621879 583697222 /nfs/dbraw/zinc/69/72/22/583697222.db2.gz CSOQORYKKMZMNC-SECBINFHSA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000895621879 583697224 /nfs/dbraw/zinc/69/72/24/583697224.db2.gz CSOQORYKKMZMNC-SECBINFHSA-N 1 2 224.264 0.468 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc[nH]n1 ZINC000895665180 583703347 /nfs/dbraw/zinc/70/33/47/583703347.db2.gz GEYSPSVHPNZPEI-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc[nH]n1 ZINC000895665180 583703349 /nfs/dbraw/zinc/70/33/49/583703349.db2.gz GEYSPSVHPNZPEI-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nn1C ZINC000895652756 583703804 /nfs/dbraw/zinc/70/38/04/583703804.db2.gz JUGDNYLHUVYCQT-KWQFWETISA-N 1 2 241.722 0.949 20 0 BCADLO Cc1c(Cl)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nn1C ZINC000895652756 583703805 /nfs/dbraw/zinc/70/38/05/583703805.db2.gz JUGDNYLHUVYCQT-KWQFWETISA-N 1 2 241.722 0.949 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)[C@@H](C)O ZINC000895743969 583715664 /nfs/dbraw/zinc/71/56/64/583715664.db2.gz QWNWMJVOLWBQIV-KZVJFYERSA-N 1 2 201.266 0.154 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]1C)[C@@H](C)O ZINC000895743968 583715978 /nfs/dbraw/zinc/71/59/78/583715978.db2.gz QWNWMJVOLWBQIV-KDXUFGMBSA-N 1 2 201.266 0.154 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1C[C@H]1C)[C@@H](C)O ZINC000895743967 583716232 /nfs/dbraw/zinc/71/62/32/583716232.db2.gz QWNWMJVOLWBQIV-HXFLIBJXSA-N 1 2 201.266 0.154 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cnsn1 ZINC000857947674 588924753 /nfs/dbraw/zinc/92/47/53/588924753.db2.gz USWVMLIDYKQORU-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO CS[C@H]1CC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000895809207 583729579 /nfs/dbraw/zinc/72/95/79/583729579.db2.gz QVJPMAKDMDDRRM-CSMHCCOUSA-N 1 2 201.291 0.786 20 0 BCADLO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000895809206 583729694 /nfs/dbraw/zinc/72/96/94/583729694.db2.gz QVJPMAKDMDDRRM-BIIVOSGPSA-N 1 2 201.291 0.786 20 0 BCADLO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCOC1=O ZINC000895808650 583729791 /nfs/dbraw/zinc/72/97/91/583729791.db2.gz LQHYRTIBPLTDQL-BBBLOLIVSA-N 1 2 240.303 0.339 20 0 BCADLO CCO/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944332 588925004 /nfs/dbraw/zinc/92/50/04/588925004.db2.gz LFBFPYNYPLBASN-RWCYGVJQSA-N 1 2 235.287 0.864 20 0 BCADLO C[C@H](CCn1cccn1)[NH2+][C@H]1CCOC1=O ZINC000895803320 583731377 /nfs/dbraw/zinc/73/13/77/583731377.db2.gz GTHAWWJYPDQKPK-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857947494 588925043 /nfs/dbraw/zinc/92/50/43/588925043.db2.gz SNTBBZNWSWYAID-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895806532 583732046 /nfs/dbraw/zinc/73/20/46/583732046.db2.gz AIWMJYDBMJHMKT-UTLUCORTSA-N 1 2 213.277 0.849 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)[C@@H]1SC ZINC000895807429 583732847 /nfs/dbraw/zinc/73/28/47/583732847.db2.gz OEMQMQQLMUSMQN-QEYWKRMJSA-N 1 2 245.344 0.801 20 0 BCADLO CCOC(=O)C1(C)CC([NH2+][C@H]2CCOC2=O)C1 ZINC000895808507 583732889 /nfs/dbraw/zinc/73/28/89/583732889.db2.gz OQHJSZKTFUSEMO-XEVUQIKYSA-N 1 2 241.287 0.623 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000895811903 583733405 /nfs/dbraw/zinc/73/34/05/583733405.db2.gz KMIZGUQXVPSOIE-IUCAKERBSA-N 1 2 211.261 0.603 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000895850390 583736973 /nfs/dbraw/zinc/73/69/73/583736973.db2.gz JVTWDGOHMAYVBT-JTQLQIEISA-N 1 2 236.275 0.407 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000895850390 583736974 /nfs/dbraw/zinc/73/69/74/583736974.db2.gz JVTWDGOHMAYVBT-JTQLQIEISA-N 1 2 236.275 0.407 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984332 588925698 /nfs/dbraw/zinc/92/56/98/588925698.db2.gz BNWYCYRIVMJJHR-ATZCPNFKSA-N 1 2 235.287 0.869 20 0 BCADLO C/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965153 588925926 /nfs/dbraw/zinc/92/59/26/588925926.db2.gz GBGMPFJVAJINLE-XADBCAIWSA-N 1 2 205.261 0.890 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(F)CC1 ZINC000857973848 588926316 /nfs/dbraw/zinc/92/63/16/588926316.db2.gz CAGMYXFWVYRRPV-SSDOTTSWSA-N 1 2 209.224 0.946 20 0 BCADLO Cc1cc(N(C)[C@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000895953900 583751926 /nfs/dbraw/zinc/75/19/26/583751926.db2.gz SIWPYNBLMMYLRA-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO c1cnc(N2CCN(c3cc[nH+]nc3)CC2)cn1 ZINC000895959644 583753418 /nfs/dbraw/zinc/75/34/18/583753418.db2.gz AFWIJAURODKMIR-UHFFFAOYSA-N 1 2 242.286 0.593 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978525 588926561 /nfs/dbraw/zinc/92/65/61/588926561.db2.gz HPWGLURLQOORGX-KOLCDFICSA-N 1 2 235.287 0.869 20 0 BCADLO Cc1ccnc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857978219 588926588 /nfs/dbraw/zinc/92/65/88/588926588.db2.gz CQYDXKPGYXEHJZ-VIFPVBQESA-N 1 2 243.270 0.856 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H](O)C1CCC1 ZINC000857977366 588926763 /nfs/dbraw/zinc/92/67/63/588926763.db2.gz CUFHURFQBFYDBG-GXSJLCMTSA-N 1 2 235.287 0.605 20 0 BCADLO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cn1 ZINC000895980447 583757812 /nfs/dbraw/zinc/75/78/12/583757812.db2.gz TUAKSWOWJRWDJO-VIFPVBQESA-N 1 2 243.332 0.085 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nccn1C1CC1)C2 ZINC000896020793 583764119 /nfs/dbraw/zinc/76/41/19/583764119.db2.gz CZIVJFNMOODZMS-BXKDBHETSA-N 1 2 219.288 0.785 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nccn1C1CC1)C2 ZINC000896020793 583764121 /nfs/dbraw/zinc/76/41/21/583764121.db2.gz CZIVJFNMOODZMS-BXKDBHETSA-N 1 2 219.288 0.785 20 0 BCADLO COc1nccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1F ZINC000896022753 583764304 /nfs/dbraw/zinc/76/43/04/583764304.db2.gz WYGYCMHEQVCNGP-BXKDBHETSA-N 1 2 238.262 0.796 20 0 BCADLO COc1nccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1F ZINC000896022753 583764306 /nfs/dbraw/zinc/76/43/06/583764306.db2.gz WYGYCMHEQVCNGP-BXKDBHETSA-N 1 2 238.262 0.796 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CC(=O)C1 ZINC000857981086 588927588 /nfs/dbraw/zinc/92/75/88/588927588.db2.gz XBLNXGFKMXGOPS-VIFPVBQESA-N 1 2 219.244 0.423 20 0 BCADLO C[C@](O)(CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857980947 588927668 /nfs/dbraw/zinc/92/76/68/588927668.db2.gz TUDQVKPORRTJRK-MFKMUULPSA-N 1 2 249.314 0.995 20 0 BCADLO Cc1cc(NCC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000896136503 583775704 /nfs/dbraw/zinc/77/57/04/583775704.db2.gz UGAGWPPHRMRFAV-SECBINFHSA-N 1 2 220.276 0.723 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984204 588928576 /nfs/dbraw/zinc/92/85/76/588928576.db2.gz HOZMYQUTJZTRKQ-PSASIEDQSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCOC1 ZINC000857983912 588928594 /nfs/dbraw/zinc/92/85/94/588928594.db2.gz FMCIPYGSMMHKDR-ZJUUUORDSA-N 1 2 235.287 0.871 20 0 BCADLO CONC(=O)CNc1cc(C)[nH+]c(C)n1 ZINC000896195849 583782301 /nfs/dbraw/zinc/78/23/01/583782301.db2.gz UTNPTTICPMXXDA-UHFFFAOYSA-N 1 2 210.237 0.183 20 0 BCADLO CONC(=O)CNc1cc[nH+]cc1Cl ZINC000896193371 583782588 /nfs/dbraw/zinc/78/25/88/583782588.db2.gz AHYMDLJTRUMKBX-UHFFFAOYSA-N 1 2 215.640 0.246 20 0 BCADLO C[S@](=O)CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896218270 583783861 /nfs/dbraw/zinc/78/38/61/583783861.db2.gz KLEFTSQMCDXEAM-ABKXIKBNSA-N 1 2 246.376 0.354 20 0 BCADLO C[S@](=O)CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896218270 583783863 /nfs/dbraw/zinc/78/38/63/583783863.db2.gz KLEFTSQMCDXEAM-ABKXIKBNSA-N 1 2 246.376 0.354 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ncccn1 ZINC000857986085 588929519 /nfs/dbraw/zinc/92/95/19/588929519.db2.gz LOFTZIAVELSWPY-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO O=C(CCn1cccn1)N[C@H]1CCn2c[nH+]cc21 ZINC000857991036 588929870 /nfs/dbraw/zinc/92/98/70/588929870.db2.gz YYQRCFRZGFSHEJ-JTQLQIEISA-N 1 2 245.286 0.731 20 0 BCADLO NS(=O)(=O)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000896395668 583799413 /nfs/dbraw/zinc/79/94/13/583799413.db2.gz VBTXEEGCLGNDTM-VIFPVBQESA-N 1 2 241.316 0.196 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H](O)C1CC1)CCN2 ZINC000858000529 588930354 /nfs/dbraw/zinc/93/03/54/588930354.db2.gz IHWPEEFDYGVISK-LLVKDONJSA-N 1 2 247.298 0.919 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896550038 583810615 /nfs/dbraw/zinc/81/06/15/583810615.db2.gz WYKMYBFBFBODJE-BJDJZHNGSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896550038 583810616 /nfs/dbraw/zinc/81/06/16/583810616.db2.gz WYKMYBFBFBODJE-BJDJZHNGSA-N 1 2 239.363 0.393 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857947511 588924578 /nfs/dbraw/zinc/92/45/78/588924578.db2.gz SVXFFIJXILEHKC-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896573829 583813260 /nfs/dbraw/zinc/81/32/60/583813260.db2.gz CEBSEYYKIZUVKV-SRVKXCTJSA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896573829 583813262 /nfs/dbraw/zinc/81/32/62/583813262.db2.gz CEBSEYYKIZUVKV-SRVKXCTJSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896571471 583813306 /nfs/dbraw/zinc/81/33/06/583813306.db2.gz KBAGYKRXZCPDOY-QWRGUYRKSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896571471 583813308 /nfs/dbraw/zinc/81/33/08/583813308.db2.gz KBAGYKRXZCPDOY-QWRGUYRKSA-N 1 2 241.379 0.783 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582170 583816063 /nfs/dbraw/zinc/81/60/63/583816063.db2.gz UYBLZXWQGHQEBB-MNOVXSKESA-N 1 2 227.352 0.393 20 0 BCADLO CC(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582170 583816065 /nfs/dbraw/zinc/81/60/65/583816065.db2.gz UYBLZXWQGHQEBB-MNOVXSKESA-N 1 2 227.352 0.393 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582171 583816108 /nfs/dbraw/zinc/81/61/08/583816108.db2.gz UYBLZXWQGHQEBB-QWRGUYRKSA-N 1 2 227.352 0.393 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582171 583816110 /nfs/dbraw/zinc/81/61/10/583816110.db2.gz UYBLZXWQGHQEBB-QWRGUYRKSA-N 1 2 227.352 0.393 20 0 BCADLO Cc1cc(NC[C@@H](O)c2ccnn2C)nc[nH+]1 ZINC000896625581 583818154 /nfs/dbraw/zinc/81/81/54/583818154.db2.gz QZIDQFNZLUPCGK-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cnn3c2CCC3)n1 ZINC000858205794 588938480 /nfs/dbraw/zinc/93/84/80/588938480.db2.gz CEKOJCZVSCJKNL-UHFFFAOYSA-N 1 2 246.318 0.731 20 0 BCADLO CCn1c[nH+]c2c1CCN(c1cc(=O)[nH]cn1)C2 ZINC000896654795 583821477 /nfs/dbraw/zinc/82/14/77/583821477.db2.gz SXRMEZBXTANTFC-UHFFFAOYSA-N 1 2 245.286 0.961 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](CO)C1 ZINC000896690279 583822513 /nfs/dbraw/zinc/82/25/13/583822513.db2.gz ORZHUIQHZGWRJG-ZKCHVHJHSA-N 1 2 233.275 0.546 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896909792 583852648 /nfs/dbraw/zinc/85/26/48/583852648.db2.gz JDSAWRDOLPOGGU-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cn[nH]c2)[nH+]c1C ZINC000896922369 583856987 /nfs/dbraw/zinc/85/69/87/583856987.db2.gz NZACEFUCWJSFHT-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2COCCO2)[nH+]c1C ZINC000896922909 583857026 /nfs/dbraw/zinc/85/70/26/583857026.db2.gz YVJXEOJBOUURCH-SECBINFHSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ccn(C)n2)[nH+]c1C ZINC000896921739 583857056 /nfs/dbraw/zinc/85/70/56/583857056.db2.gz RAPQDYNHYAPLEI-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000896924436 583857804 /nfs/dbraw/zinc/85/78/04/583857804.db2.gz MOIKHACKRZRFRE-NTSWFWBYSA-N 1 2 208.208 0.297 20 0 BCADLO CONC(=O)C[NH2+]C1CC(C(F)F)C1 ZINC000896925792 583858052 /nfs/dbraw/zinc/85/80/52/583858052.db2.gz ADAPYMRIMUYRHR-UHFFFAOYSA-N 1 2 208.208 0.297 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)Cc1cccs1 ZINC000896925876 583858183 /nfs/dbraw/zinc/85/81/83/583858183.db2.gz CLAYSDAKJDHDIX-QMMMGPOBSA-N 1 2 228.317 0.946 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000896927006 583858688 /nfs/dbraw/zinc/85/86/88/583858688.db2.gz NUGZNOPZELLBMN-UWVGGRQHSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+]CC1CCSCC1 ZINC000896923499 583858804 /nfs/dbraw/zinc/85/88/04/583858804.db2.gz FGBSKHQTJYWXKY-UHFFFAOYSA-N 1 2 218.322 0.397 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCCC12CCC2 ZINC000896924118 583858825 /nfs/dbraw/zinc/85/88/25/583858825.db2.gz KMJIZUWHTVVLKJ-VIFPVBQESA-N 1 2 212.293 0.976 20 0 BCADLO CCN(CCC(=O)NC)c1nccn2c[nH+]cc12 ZINC000896977007 583865575 /nfs/dbraw/zinc/86/55/75/583865575.db2.gz FMVSYRXZJOWKHF-UHFFFAOYSA-N 1 2 247.302 0.692 20 0 BCADLO Cc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000896971400 583866378 /nfs/dbraw/zinc/86/63/78/583866378.db2.gz REXHCLHGVKBDCI-AEJSXWLSSA-N 1 2 223.276 0.471 20 0 BCADLO Cn1[nH]cnc1=NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000896992818 583867337 /nfs/dbraw/zinc/86/73/37/583867337.db2.gz KAIWJYOIWFIFMG-SNVBAGLBSA-N 1 2 249.318 0.192 20 0 BCADLO Cn1[nH]cnc1=NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000896992818 583867338 /nfs/dbraw/zinc/86/73/38/583867338.db2.gz KAIWJYOIWFIFMG-SNVBAGLBSA-N 1 2 249.318 0.192 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](O)C2)c[nH+]1 ZINC000897057737 583875052 /nfs/dbraw/zinc/87/50/52/583875052.db2.gz DMHMNTFEZJDESL-JTQLQIEISA-N 1 2 237.303 0.520 20 0 BCADLO CON(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000140794513 583892516 /nfs/dbraw/zinc/89/25/16/583892516.db2.gz IKDOILIQWOWIFC-SSDOTTSWSA-N 1 2 209.249 0.534 20 0 BCADLO CON(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000140794513 583892519 /nfs/dbraw/zinc/89/25/19/583892519.db2.gz IKDOILIQWOWIFC-SSDOTTSWSA-N 1 2 209.249 0.534 20 0 BCADLO CCOCCOCC[NH2+]Cc1csnn1 ZINC000897203968 583893653 /nfs/dbraw/zinc/89/36/53/583893653.db2.gz HQMLAQHXCCSDIJ-UHFFFAOYSA-N 1 2 231.321 0.681 20 0 BCADLO CCONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000858262155 588940266 /nfs/dbraw/zinc/94/02/66/588940266.db2.gz IMHZXNYXESVYQE-SECBINFHSA-N 1 2 223.276 0.822 20 0 BCADLO CC(C)CC(=O)OCC[NH+]1CCOCC1 ZINC000143340339 583913069 /nfs/dbraw/zinc/91/30/69/583913069.db2.gz LXALNEFONDZIBY-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@H](O)[C@@H](F)C2)c1Cl ZINC000897377346 583946493 /nfs/dbraw/zinc/94/64/93/583946493.db2.gz DYUSJSGOLQLGMN-WDSKDSINSA-N 1 2 246.673 0.621 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@H](O)[C@@H](F)C2)c1Cl ZINC000897377346 583946494 /nfs/dbraw/zinc/94/64/94/583946494.db2.gz DYUSJSGOLQLGMN-WDSKDSINSA-N 1 2 246.673 0.621 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000858324420 588945594 /nfs/dbraw/zinc/94/55/94/588945594.db2.gz ZFZKOEOJCKMHHL-SECBINFHSA-N 1 2 240.307 0.524 20 0 BCADLO CON(C)C(=O)[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000858324420 588945595 /nfs/dbraw/zinc/94/55/95/588945595.db2.gz ZFZKOEOJCKMHHL-SECBINFHSA-N 1 2 240.307 0.524 20 0 BCADLO CCCNC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729160792 583961922 /nfs/dbraw/zinc/96/19/22/583961922.db2.gz DWHKFWCJRLUWKU-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CCCNC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC000729160792 583961924 /nfs/dbraw/zinc/96/19/24/583961924.db2.gz DWHKFWCJRLUWKU-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=S)NC1CC1 ZINC000729160824 583961952 /nfs/dbraw/zinc/96/19/52/583961952.db2.gz GCBMZUXNURKWSH-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=S)NC1CC1 ZINC000729160824 583961954 /nfs/dbraw/zinc/96/19/54/583961954.db2.gz GCBMZUXNURKWSH-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCC1 ZINC000866963045 583972607 /nfs/dbraw/zinc/97/26/07/583972607.db2.gz CEACIRJYCKDKIP-RQOWECAXSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000897449157 583986847 /nfs/dbraw/zinc/98/68/47/583986847.db2.gz QCBCPZZAPDYDPF-AXFHLTTASA-N 1 2 249.314 0.739 20 0 BCADLO CCn1cc(C[N@@H+]2CCOCC3(CC3)C2)nn1 ZINC000897462966 583988456 /nfs/dbraw/zinc/98/84/56/583988456.db2.gz YTAVOTAPIZZFTG-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CCn1cc(C[N@H+]2CCOCC3(CC3)C2)nn1 ZINC000897462966 583988458 /nfs/dbraw/zinc/98/84/58/583988458.db2.gz YTAVOTAPIZZFTG-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO OCC[NH+]1CCN(C/C(Cl)=C\Cl)CC1 ZINC000211349107 583991040 /nfs/dbraw/zinc/99/10/40/583991040.db2.gz DFJFCVGLZCTPBI-VQHVLOKHSA-N 1 2 239.146 0.915 20 0 BCADLO CNC(=S)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729646828 584021028 /nfs/dbraw/zinc/02/10/28/584021028.db2.gz DANQKKJLIYIMQC-DTWKUNHWSA-N 1 2 231.365 0.190 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1nccnc1F ZINC000858395945 588951338 /nfs/dbraw/zinc/95/13/38/588951338.db2.gz UCSQQZWCBSORHL-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1nccnc1F ZINC000858395945 588951340 /nfs/dbraw/zinc/95/13/40/588951340.db2.gz UCSQQZWCBSORHL-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO O=C1NCCC2(C[NH+](C[C@@H]3CCC=CO3)C2)O1 ZINC000897751534 584043312 /nfs/dbraw/zinc/04/33/12/584043312.db2.gz PZECFZYBGMTADE-JTQLQIEISA-N 1 2 238.287 0.863 20 0 BCADLO O=c1cc(C[NH+]2CC3(C2)CCNC(=O)O3)cc[nH]1 ZINC000897749833 584043512 /nfs/dbraw/zinc/04/35/12/584043512.db2.gz ZOZQYZFYXQUQBC-UHFFFAOYSA-N 1 2 249.270 0.472 20 0 BCADLO Cn1cccc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897786692 584047952 /nfs/dbraw/zinc/04/79/52/584047952.db2.gz VTLYGWDSDXPBAP-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO CCn1c[nH+]cc1CN1CC(N2CCCC2=O)C1 ZINC000897784974 584048278 /nfs/dbraw/zinc/04/82/78/584048278.db2.gz OTEAYMYIOGQPHR-UHFFFAOYSA-N 1 2 248.330 0.710 20 0 BCADLO O=C1CCCN1C1C[NH+](Cc2ccncc2)C1 ZINC000897790144 584048692 /nfs/dbraw/zinc/04/86/92/584048692.db2.gz OGLDMJDQNNDODN-UHFFFAOYSA-N 1 2 231.299 0.888 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000897795476 584049039 /nfs/dbraw/zinc/04/90/39/584049039.db2.gz GRYBHZOIZWQOIR-LDYMZIIASA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000897795476 584049040 /nfs/dbraw/zinc/04/90/40/584049040.db2.gz GRYBHZOIZWQOIR-LDYMZIIASA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@]1([NH2+]Cc2cn(C3CCC3)nn2)CCNC1=O ZINC000897868892 584054978 /nfs/dbraw/zinc/05/49/78/584054978.db2.gz NMOOXRIZYCAWGB-GFCCVEGCSA-N 1 2 249.318 0.371 20 0 BCADLO CC(C)n1ccnc1C[NH2+][C@]1(C)CCNC1=O ZINC000897870196 584055869 /nfs/dbraw/zinc/05/58/69/584055869.db2.gz YXBSLVDJWPVZIN-GFCCVEGCSA-N 1 2 236.319 0.832 20 0 BCADLO C[C@@]1([NH2+]Cc2n[nH]c3ccccc32)CCNC1=O ZINC000897871105 584055875 /nfs/dbraw/zinc/05/58/75/584055875.db2.gz HARSAWJWIHCCTM-CYBMUJFWSA-N 1 2 244.298 0.931 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000897891614 584057934 /nfs/dbraw/zinc/05/79/34/584057934.db2.gz YHSBOKCVHDMXGG-ZJUUUORDSA-N 1 2 237.303 0.944 20 0 BCADLO Cc1cccc(C[NH+]2CC3(C2)NC(=O)NC3=O)c1 ZINC000897907603 584059988 /nfs/dbraw/zinc/05/99/88/584059988.db2.gz JEAAGECPPDBZHI-UHFFFAOYSA-N 1 2 245.282 0.389 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H]2O)c[nH+]1 ZINC000898012666 584073411 /nfs/dbraw/zinc/07/34/11/584073411.db2.gz BYRHFVWRBAFFBD-NXEZZACHSA-N 1 2 237.303 0.566 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000898098620 584085664 /nfs/dbraw/zinc/08/56/64/584085664.db2.gz BBQDAMNQFZKULH-UMNHJUIQSA-N 1 2 249.314 0.739 20 0 BCADLO CCn1c[nH+]cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898186444 584092951 /nfs/dbraw/zinc/09/29/51/584092951.db2.gz ALGCRHBGIUNEOP-QWRGUYRKSA-N 1 2 227.283 0.808 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186115 584092971 /nfs/dbraw/zinc/09/29/71/584092971.db2.gz BDWWKPZUJFUNQF-MNOVXSKESA-N 1 2 227.283 0.808 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186115 584092974 /nfs/dbraw/zinc/09/29/74/584092974.db2.gz BDWWKPZUJFUNQF-MNOVXSKESA-N 1 2 227.283 0.808 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000898269610 584104111 /nfs/dbraw/zinc/10/41/11/584104111.db2.gz JHZDAOFGLHKTBY-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000898269610 584104113 /nfs/dbraw/zinc/10/41/13/584104113.db2.gz JHZDAOFGLHKTBY-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO O=C(NCc1ccon1)[C@H]1CCc2[nH+]ccn2C1 ZINC000787108560 584111116 /nfs/dbraw/zinc/11/11/16/584111116.db2.gz HRUHLQXHRSNICS-VIFPVBQESA-N 1 2 246.270 0.750 20 0 BCADLO Cc1nnc(CNC(=O)C=Cc2cn(C)c[nH+]2)[nH]1 ZINC000889696839 584119523 /nfs/dbraw/zinc/11/95/23/584119523.db2.gz NDPNGUBIQZKTAK-ARJAWSKDSA-N 1 2 246.274 0.176 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562744 584127874 /nfs/dbraw/zinc/12/78/74/584127874.db2.gz DHXPTWWFOBKHBA-DTWKUNHWSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562744 584127875 /nfs/dbraw/zinc/12/78/75/584127875.db2.gz DHXPTWWFOBKHBA-DTWKUNHWSA-N 1 2 249.257 0.906 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488828 584139982 /nfs/dbraw/zinc/13/99/82/584139982.db2.gz JEYPGMKRSRWFRR-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488828 584139983 /nfs/dbraw/zinc/13/99/83/584139983.db2.gz JEYPGMKRSRWFRR-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898492655 584140009 /nfs/dbraw/zinc/14/00/09/584140009.db2.gz XWCZZZOILHGOFB-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898492655 584140010 /nfs/dbraw/zinc/14/00/10/584140010.db2.gz XWCZZZOILHGOFB-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@H]2CO)c1 ZINC000898629793 584147056 /nfs/dbraw/zinc/14/70/56/584147056.db2.gz SOPURLXHJFOVMD-JTQLQIEISA-N 1 2 238.291 0.086 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898628040 584147200 /nfs/dbraw/zinc/14/72/00/584147200.db2.gz PNKDPIOCBPQVIS-VIFPVBQESA-N 1 2 222.292 0.972 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCCOCC2)c1 ZINC000898626211 584147655 /nfs/dbraw/zinc/14/76/55/584147655.db2.gz CRINCZAQRKCICJ-UHFFFAOYSA-N 1 2 238.291 0.352 20 0 BCADLO COC[C@@H]1CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619223 584147820 /nfs/dbraw/zinc/14/78/20/584147820.db2.gz HXDAPJDQDGKLCC-JTQLQIEISA-N 1 2 238.291 0.350 20 0 BCADLO CCN(CCOC)C(=O)NCc1cn(C)c[nH+]1 ZINC000898621496 584147830 /nfs/dbraw/zinc/14/78/30/584147830.db2.gz MIIPJJOIWIDVHZ-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO CCOC1CN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898619465 584147871 /nfs/dbraw/zinc/14/78/71/584147871.db2.gz JXZRKGRMBXTLBX-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO CC[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H](C)O ZINC000898619217 584147891 /nfs/dbraw/zinc/14/78/91/584147891.db2.gz HQSYDSDAFXYRBO-PSASIEDQSA-N 1 2 240.307 0.379 20 0 BCADLO CC(C)ONC(=O)NCc1cn(C)c[nH+]1 ZINC000898620091 584147951 /nfs/dbraw/zinc/14/79/51/584147951.db2.gz SBYFDIUIDUROJH-UHFFFAOYSA-N 1 2 212.253 0.559 20 0 BCADLO CC[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H](C)O ZINC000898619220 584147995 /nfs/dbraw/zinc/14/79/95/584147995.db2.gz HQSYDSDAFXYRBO-WPRPVWTQSA-N 1 2 240.307 0.379 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858513941 588961717 /nfs/dbraw/zinc/96/17/17/588961717.db2.gz OVKLYGDHFYFXBF-SNVBAGLBSA-N 1 2 247.302 0.593 20 0 BCADLO Cc1ccnn1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858513896 588961981 /nfs/dbraw/zinc/96/19/81/588961981.db2.gz OVKLYGDHFYFXBF-JTQLQIEISA-N 1 2 247.302 0.593 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CSC1 ZINC000898810573 584160086 /nfs/dbraw/zinc/16/00/86/584160086.db2.gz MBRKMETUPMWPSY-QMMMGPOBSA-N 1 2 223.301 0.807 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898811596 584160299 /nfs/dbraw/zinc/16/02/99/584160299.db2.gz UZKRQIRNBDZIMM-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810799 584160310 /nfs/dbraw/zinc/16/03/10/584160310.db2.gz OGVOGBOPKJOPNJ-SECBINFHSA-N 1 2 221.260 0.623 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CCCC1 ZINC000898880231 584162419 /nfs/dbraw/zinc/16/24/19/584162419.db2.gz ADWNFALXTUGMEH-SNVBAGLBSA-N 1 2 237.303 0.760 20 0 BCADLO CC(C)[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884945 584163865 /nfs/dbraw/zinc/16/38/65/584163865.db2.gz VROXRAIVIUJXQC-VHSXEESVSA-N 1 2 239.319 0.862 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccccn1 ZINC000898881723 584164435 /nfs/dbraw/zinc/16/44/35/584164435.db2.gz OKWIWUQJKGXGMZ-JTQLQIEISA-N 1 2 246.270 0.279 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(C)(F)F ZINC000898891747 584164720 /nfs/dbraw/zinc/16/47/20/584164720.db2.gz LAHHOQWPZMXSET-LURJTMIESA-N 1 2 233.218 0.225 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899053267 584173577 /nfs/dbraw/zinc/17/35/77/584173577.db2.gz LOICXODOZDHMTH-UHFFFAOYSA-N 1 2 242.319 0.207 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899053267 584173578 /nfs/dbraw/zinc/17/35/78/584173578.db2.gz LOICXODOZDHMTH-UHFFFAOYSA-N 1 2 242.319 0.207 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nn2cccn2)c[nH+]1 ZINC000899133916 584176601 /nfs/dbraw/zinc/17/66/01/584176601.db2.gz QOAHCWYYHTWVLZ-UHFFFAOYSA-N 1 2 233.275 0.893 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899246486 584187210 /nfs/dbraw/zinc/18/72/10/584187210.db2.gz RQRCXNOHEFXWBU-ZDMBXUJBSA-N 1 2 247.298 0.420 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899246486 584187211 /nfs/dbraw/zinc/18/72/11/584187211.db2.gz RQRCXNOHEFXWBU-ZDMBXUJBSA-N 1 2 247.298 0.420 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@]12C[C@H]1COC2 ZINC000899246198 584187371 /nfs/dbraw/zinc/18/73/71/584187371.db2.gz NIYOWDSOOAIDKD-KWQFWETISA-N 1 2 221.260 0.247 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@]12C[C@H]1COC2 ZINC000899246198 584187373 /nfs/dbraw/zinc/18/73/73/584187373.db2.gz NIYOWDSOOAIDKD-KWQFWETISA-N 1 2 221.260 0.247 20 0 BCADLO CO[C@H](C)c1cc(=O)n(C2CC[NH2+]CC2)[nH]1 ZINC000899363141 584204859 /nfs/dbraw/zinc/20/48/59/584204859.db2.gz FMGGJKAOHZUOLL-MRVPVSSYSA-N 1 2 225.292 0.362 20 0 BCADLO CCn1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)nn1 ZINC000899871447 584244400 /nfs/dbraw/zinc/24/44/00/584244400.db2.gz MDKSOOJJFFEEPY-PWSUYJOCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)nn1 ZINC000899871447 584244402 /nfs/dbraw/zinc/24/44/02/584244402.db2.gz MDKSOOJJFFEEPY-PWSUYJOCSA-N 1 2 236.319 0.909 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000858580054 588968779 /nfs/dbraw/zinc/96/87/79/588968779.db2.gz JTUFUIPWGNOQRQ-DTWKUNHWSA-N 1 2 238.291 0.326 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899921757 584256498 /nfs/dbraw/zinc/25/64/98/584256498.db2.gz ZNVVLKRFOAESJV-YWNRKNDBSA-N 1 2 223.276 0.326 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899921752 584256723 /nfs/dbraw/zinc/25/67/23/584256723.db2.gz ZNVVLKRFOAESJV-GQPNGRKGSA-N 1 2 223.276 0.326 20 0 BCADLO CCOCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000899932372 584257153 /nfs/dbraw/zinc/25/71/53/584257153.db2.gz NFYMXHVJNAABJO-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO CCOCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000899932372 584257155 /nfs/dbraw/zinc/25/71/55/584257155.db2.gz NFYMXHVJNAABJO-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO O=C(CC1COC1)NCc1cn2ccccc2[nH+]1 ZINC000899973106 584261204 /nfs/dbraw/zinc/26/12/04/584261204.db2.gz ZLOPIUZUXFIBKZ-UHFFFAOYSA-N 1 2 245.282 0.987 20 0 BCADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nccs1 ZINC000900022443 584267457 /nfs/dbraw/zinc/26/74/57/584267457.db2.gz YSKGSYDRXMQHDH-XVKPBYJWSA-N 1 2 241.316 0.537 20 0 BCADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nccs1 ZINC000900022443 584267460 /nfs/dbraw/zinc/26/74/60/584267460.db2.gz YSKGSYDRXMQHDH-XVKPBYJWSA-N 1 2 241.316 0.537 20 0 BCADLO COC(=O)CCNC(=O)CNc1cccc[nH+]1 ZINC000900101691 584271410 /nfs/dbraw/zinc/27/14/10/584271410.db2.gz HRUALKDRNIPRDT-UHFFFAOYSA-N 1 2 237.259 0.173 20 0 BCADLO CC(C)[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c32)C1=O ZINC000900112879 584274332 /nfs/dbraw/zinc/27/43/32/584274332.db2.gz OUOMUWFCDPRTLN-IUCAKERBSA-N 1 2 248.286 0.904 20 0 BCADLO CC(C)N1CC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158242 584280347 /nfs/dbraw/zinc/28/03/47/584280347.db2.gz SGNXCWAEQOFDNE-UHFFFAOYSA-N 1 2 236.275 0.593 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900171009 584282433 /nfs/dbraw/zinc/28/24/33/584282433.db2.gz XTRYBUZDISQJLY-UHFFFAOYSA-N 1 2 225.248 0.020 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900171009 584282436 /nfs/dbraw/zinc/28/24/36/584282436.db2.gz XTRYBUZDISQJLY-UHFFFAOYSA-N 1 2 225.248 0.020 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000900193915 584284572 /nfs/dbraw/zinc/28/45/72/584284572.db2.gz USKZVMCLNOWENP-UWVGGRQHSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000900193916 584284607 /nfs/dbraw/zinc/28/46/07/584284607.db2.gz USKZVMCLNOWENP-VHSXEESVSA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900189467 584284817 /nfs/dbraw/zinc/28/48/17/584284817.db2.gz ZLYVRPKXESNHSW-SECBINFHSA-N 1 2 233.275 0.354 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900189467 584284820 /nfs/dbraw/zinc/28/48/20/584284820.db2.gz ZLYVRPKXESNHSW-SECBINFHSA-N 1 2 233.275 0.354 20 0 BCADLO C/C(Cl)=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000900210162 584286418 /nfs/dbraw/zinc/28/64/18/584286418.db2.gz XSLNFMYGOFIYCD-TTZKWOQHSA-N 1 2 246.738 0.966 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000900215940 584286625 /nfs/dbraw/zinc/28/66/25/584286625.db2.gz QZYTXHUNABUGEH-CMIOBCHKSA-N 1 2 223.276 0.325 20 0 BCADLO COCCCN(C)C(=O)CNc1cccc[nH+]1 ZINC000900398372 584302515 /nfs/dbraw/zinc/30/25/15/584302515.db2.gz KEXYCGSVYKSAFW-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO C/C=C/[C@H](O)C(=O)Nc1c[nH+]ccc1OC ZINC000900455933 584313821 /nfs/dbraw/zinc/31/38/21/584313821.db2.gz XCUHZDTVONZONL-NWALNABHSA-N 1 2 222.244 0.966 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC1CCSCC1 ZINC000900475889 584318048 /nfs/dbraw/zinc/31/80/48/584318048.db2.gz KYSNALPKQSXTJN-UHFFFAOYSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC1CCSCC1 ZINC000900475889 584318049 /nfs/dbraw/zinc/31/80/49/584318049.db2.gz KYSNALPKQSXTJN-UHFFFAOYSA-N 1 2 225.317 0.964 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCF ZINC000900557086 584328354 /nfs/dbraw/zinc/32/83/54/584328354.db2.gz QVQACLOFJZZTBX-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)CCF ZINC000900557086 584328355 /nfs/dbraw/zinc/32/83/55/584328355.db2.gz QVQACLOFJZZTBX-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO COCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000900582207 584328584 /nfs/dbraw/zinc/32/85/84/584328584.db2.gz SRKYRLMHVUKWQR-UHFFFAOYSA-N 1 2 219.248 0.450 20 0 BCADLO Cc1cccnc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900588372 584328840 /nfs/dbraw/zinc/32/88/40/584328840.db2.gz ZMZHJIPICOPBOD-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1cccnc1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900588372 584328841 /nfs/dbraw/zinc/32/88/41/584328841.db2.gz ZMZHJIPICOPBOD-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000900610092 584331425 /nfs/dbraw/zinc/33/14/25/584331425.db2.gz ISFVHNHBNUTMMZ-SECBINFHSA-N 1 2 209.249 0.200 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900615552 584332178 /nfs/dbraw/zinc/33/21/78/584332178.db2.gz BAAXQJKDRPTCQP-HMDXOVGESA-N 1 2 206.245 0.687 20 0 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CCC/C=C/[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000900664183 584337680 /nfs/dbraw/zinc/33/76/80/584337680.db2.gz BHHKPONZVMSIGX-XNPJLODASA-N 1 2 223.276 0.743 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900670453 584339338 /nfs/dbraw/zinc/33/93/38/584339338.db2.gz CDIPAWWDFGVRLV-XOULXFPDSA-N 1 2 206.245 0.687 20 0 BCADLO Cc1cc(NC(=O)CC2COC2)cc[nH+]1 ZINC000900672628 584339593 /nfs/dbraw/zinc/33/95/93/584339593.db2.gz OQHYTOPAEORFOE-UHFFFAOYSA-N 1 2 206.245 0.787 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900670450 584339640 /nfs/dbraw/zinc/33/96/40/584339640.db2.gz CDIPAWWDFGVRLV-FSIBCCDJSA-N 1 2 206.245 0.687 20 0 BCADLO C/C=C\[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716247 584344591 /nfs/dbraw/zinc/34/45/91/584344591.db2.gz GLCGMRZXSOCBJE-MXQLGCADSA-N 1 2 221.260 0.203 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]c[nH]2)n1C ZINC000900779463 584350191 /nfs/dbraw/zinc/35/01/91/584350191.db2.gz BBDDWSZBOXISEZ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1(O)CCC1 ZINC000900782513 584350861 /nfs/dbraw/zinc/35/08/61/584350861.db2.gz YKTLBHTYICXHMQ-UHFFFAOYSA-N 1 2 235.287 0.525 20 0 BCADLO CC[C@H]1CO[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900865870 584362584 /nfs/dbraw/zinc/36/25/84/584362584.db2.gz YMTUFRAKWBYDDJ-KOLCDFICSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000900867007 584362855 /nfs/dbraw/zinc/36/28/55/584362855.db2.gz JYORSLJPJFYIRW-WDEREUQCSA-N 1 2 249.314 0.771 20 0 BCADLO CC[C@](C)(O)CNC(=O)CNc1cccc[nH+]1 ZINC000900899576 584363853 /nfs/dbraw/zinc/36/38/53/584363853.db2.gz GVZPDFOYWIAJEZ-LBPRGKRZSA-N 1 2 237.303 0.771 20 0 BCADLO CCOC(=O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900973816 584369806 /nfs/dbraw/zinc/36/98/06/584369806.db2.gz UELNIASICUVGNC-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CCOC(=O)[C@H](C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900973816 584369808 /nfs/dbraw/zinc/36/98/08/584369808.db2.gz UELNIASICUVGNC-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)CNc1cccc[nH+]1 ZINC000900958969 584371583 /nfs/dbraw/zinc/37/15/83/584371583.db2.gz OCUCSYVNZHQLHD-LLVKDONJSA-N 1 2 249.314 0.988 20 0 BCADLO O=C1OC[C@@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@H]12 ZINC000858849259 588978465 /nfs/dbraw/zinc/97/84/65/588978465.db2.gz NIUJXPPJVODSPY-UWVGGRQHSA-N 1 2 245.282 0.963 20 0 BCADLO CCc1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)nc[nH+]1 ZINC000858849885 588978545 /nfs/dbraw/zinc/97/85/45/588978545.db2.gz YDMMGQMXYPSOBS-PSASIEDQSA-N 1 2 233.271 0.648 20 0 BCADLO COC(=O)C(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901019415 584377466 /nfs/dbraw/zinc/37/74/66/584377466.db2.gz BBLWAKPJZSTEGO-UHFFFAOYSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)C(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901019415 584377468 /nfs/dbraw/zinc/37/74/68/584377468.db2.gz BBLWAKPJZSTEGO-UHFFFAOYSA-N 1 2 239.275 0.268 20 0 BCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901047837 584378379 /nfs/dbraw/zinc/37/83/79/584378379.db2.gz HWXKKMIYVADJOP-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901047837 584378380 /nfs/dbraw/zinc/37/83/80/584378380.db2.gz HWXKKMIYVADJOP-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1(CO)CC1 ZINC000901052337 584379365 /nfs/dbraw/zinc/37/93/65/584379365.db2.gz NGWQGXAABBTLBJ-UHFFFAOYSA-N 1 2 235.287 0.382 20 0 BCADLO O=C(CC1COC1)NCc1ccn2cc[nH+]c2c1 ZINC000901082013 584382359 /nfs/dbraw/zinc/38/23/59/584382359.db2.gz GBTMCDZBEJXVLR-UHFFFAOYSA-N 1 2 245.282 0.987 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901093581 584384134 /nfs/dbraw/zinc/38/41/34/584384134.db2.gz JWPZUONHHDQCOX-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901093581 584384135 /nfs/dbraw/zinc/38/41/35/584384135.db2.gz JWPZUONHHDQCOX-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO C/C(=C\C(=O)NCCCF)C[NH+]1CCOCC1 ZINC000901114778 584385736 /nfs/dbraw/zinc/38/57/36/584385736.db2.gz OLUKZBIAYAPQEW-PKNBQFBNSA-N 1 2 244.310 0.741 20 0 BCADLO C[C@H]1OCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000901102477 584388354 /nfs/dbraw/zinc/38/83/54/584388354.db2.gz RQUHEYFOTNFIES-RKDXNWHRSA-N 1 2 223.276 0.588 20 0 BCADLO CC[C@H](C[C@H](C)CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901103814 584388852 /nfs/dbraw/zinc/38/88/52/584388852.db2.gz WHXQNMQXTPRVBU-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C[C@H](C)CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901103814 584388853 /nfs/dbraw/zinc/38/88/53/584388853.db2.gz WHXQNMQXTPRVBU-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901146555 584391007 /nfs/dbraw/zinc/39/10/07/584391007.db2.gz ANUKTSVJCROHMM-PUPXCESUSA-N 1 2 235.287 0.320 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000901146555 584391008 /nfs/dbraw/zinc/39/10/08/584391008.db2.gz ANUKTSVJCROHMM-PUPXCESUSA-N 1 2 235.287 0.320 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1(CO)CC1 ZINC000901197467 584397801 /nfs/dbraw/zinc/39/78/01/584397801.db2.gz KSSRURQGRWQEEK-UHFFFAOYSA-N 1 2 221.260 0.135 20 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CC(C)(CCO)NC(=O)CNc1cccc[nH+]1 ZINC000901244727 584407814 /nfs/dbraw/zinc/40/78/14/584407814.db2.gz VSAMKGYETRZBTB-UHFFFAOYSA-N 1 2 237.303 0.771 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901277236 584413529 /nfs/dbraw/zinc/41/35/29/584413529.db2.gz FKRPVTGOQLQGMV-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901277236 584413530 /nfs/dbraw/zinc/41/35/30/584413530.db2.gz FKRPVTGOQLQGMV-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1O ZINC000901284641 584421441 /nfs/dbraw/zinc/42/14/41/584421441.db2.gz HDDCJDRBGNZZRT-NXEZZACHSA-N 1 2 235.287 0.333 20 0 BCADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1O ZINC000901284643 584421751 /nfs/dbraw/zinc/42/17/51/584421751.db2.gz HDDCJDRBGNZZRT-VHSXEESVSA-N 1 2 235.287 0.333 20 0 BCADLO C[C@H]1CCOCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901329475 584424710 /nfs/dbraw/zinc/42/47/10/584424710.db2.gz KREAGXIYDISHJA-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CC(C)(CCCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901316190 584429380 /nfs/dbraw/zinc/42/93/80/584429380.db2.gz UIDJLTWMAGWLSK-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)(CCCO)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901316190 584429381 /nfs/dbraw/zinc/42/93/81/584429381.db2.gz UIDJLTWMAGWLSK-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CCn1cnc(C[NH2+]CC(=O)NC(C)C)c1 ZINC000902040719 584515337 /nfs/dbraw/zinc/51/53/37/584515337.db2.gz ACLSRAKUASWGLF-UHFFFAOYSA-N 1 2 224.308 0.517 20 0 BCADLO COCC[NH+](CCOC)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902042404 584515520 /nfs/dbraw/zinc/51/55/20/584515520.db2.gz AEDDMULYTWNIMH-QWRGUYRKSA-N 1 2 242.319 0.017 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)CC(C)(C)O1 ZINC000902079739 584520541 /nfs/dbraw/zinc/52/05/41/584520541.db2.gz WMBVDMLVZGULMG-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)CC(C)(C)O1 ZINC000902079739 584520543 /nfs/dbraw/zinc/52/05/43/584520543.db2.gz WMBVDMLVZGULMG-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cn(CC)cn1 ZINC000902102415 584523158 /nfs/dbraw/zinc/52/31/58/584523158.db2.gz ASXHQEGWJDUNCO-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902138976 584526150 /nfs/dbraw/zinc/52/61/50/584526150.db2.gz NDWJWUGJXOTAJD-AXFHLTTASA-N 1 2 224.304 0.533 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902138976 584526151 /nfs/dbraw/zinc/52/61/51/584526151.db2.gz NDWJWUGJXOTAJD-AXFHLTTASA-N 1 2 224.304 0.533 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCOC1CC1 ZINC000902279743 584547195 /nfs/dbraw/zinc/54/71/95/584547195.db2.gz ACQGWBWAUHFXLO-SSDOTTSWSA-N 1 2 202.254 0.699 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CNC(=O)C1 ZINC000902220825 584540211 /nfs/dbraw/zinc/54/02/11/584540211.db2.gz LLUQRFOINOTWRY-QMMMGPOBSA-N 1 2 229.280 0.046 20 0 BCADLO O=C(OCCF)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000859029165 588992113 /nfs/dbraw/zinc/99/21/13/588992113.db2.gz AFAOJOPHVAYYCS-JTQLQIEISA-N 1 2 246.282 0.499 20 0 BCADLO CCn1ncc(CO[NH+]=C(N)[C@H](C)OC)n1 ZINC000902280421 584547204 /nfs/dbraw/zinc/54/72/04/584547204.db2.gz FCSWXTQLBKPBOL-ZETCQYMHSA-N 1 2 227.268 0.331 20 0 BCADLO O=C1OCCN1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000902289164 584548342 /nfs/dbraw/zinc/54/83/42/584548342.db2.gz OAXYWSKODNPVKJ-YUMQZZPRSA-N 1 2 214.290 0.586 20 0 BCADLO O=C1OCCN1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000902289164 584548343 /nfs/dbraw/zinc/54/83/43/584548343.db2.gz OAXYWSKODNPVKJ-YUMQZZPRSA-N 1 2 214.290 0.586 20 0 BCADLO Cc1nnnn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902293713 584549082 /nfs/dbraw/zinc/54/90/82/584549082.db2.gz MWRKTAGOFBNNIV-UHFFFAOYSA-N 1 2 218.264 0.491 20 0 BCADLO COCC[C@@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000902277242 584550657 /nfs/dbraw/zinc/55/06/57/584550657.db2.gz JGWPUGXNNCYICY-WDEREUQCSA-N 1 2 244.310 0.873 20 0 BCADLO COCC[C@@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000902277242 584550660 /nfs/dbraw/zinc/55/06/60/584550660.db2.gz JGWPUGXNNCYICY-WDEREUQCSA-N 1 2 244.310 0.873 20 0 BCADLO CCCOC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000859079444 588998542 /nfs/dbraw/zinc/99/85/42/588998542.db2.gz NTKBOWLMALASLO-LLVKDONJSA-N 1 2 242.319 0.940 20 0 BCADLO CCn1c[nH+]c(CNCc2ccn(C)n2)c1 ZINC000902436643 584596396 /nfs/dbraw/zinc/59/63/96/584596396.db2.gz DKUNGVDNAYAMDO-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CCn1cnc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000902436643 584596397 /nfs/dbraw/zinc/59/63/97/584596397.db2.gz DKUNGVDNAYAMDO-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CCn1cnc(C[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000902537027 584628236 /nfs/dbraw/zinc/62/82/36/584628236.db2.gz MMKLNJHMWVWSBJ-VIFPVBQESA-N 1 2 242.298 0.467 20 0 BCADLO NC(CO)=[NH+]OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902538602 584628338 /nfs/dbraw/zinc/62/83/38/584628338.db2.gz VOOUOLYQZQMPMK-KVSKUHBBSA-N 1 2 220.219 0.768 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@H]1CNC(=O)C1 ZINC000902612152 584643395 /nfs/dbraw/zinc/64/33/95/584643395.db2.gz GRNBRHLXNMYPTA-MRVPVSSYSA-N 1 2 241.291 0.190 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@@H]1CNC(=O)C1 ZINC000902612153 584643704 /nfs/dbraw/zinc/64/37/04/584643704.db2.gz GRNBRHLXNMYPTA-QMMMGPOBSA-N 1 2 241.291 0.190 20 0 BCADLO Cn1cccc1C(=O)CON=C(N)C[NH+](C)C ZINC000902613299 584643757 /nfs/dbraw/zinc/64/37/57/584643757.db2.gz QWAGWRSEPSNCGG-UHFFFAOYSA-N 1 2 238.291 0.268 20 0 BCADLO CON1CC[C@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000902617783 584644026 /nfs/dbraw/zinc/64/40/26/584644026.db2.gz QYNMDFCXRPOUBM-JTQLQIEISA-N 1 2 249.270 0.695 20 0 BCADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@H]1CO ZINC000902631821 584646807 /nfs/dbraw/zinc/64/68/07/584646807.db2.gz JKZSAXZFDQHPAW-NSHDSACASA-N 1 2 238.331 0.803 20 0 BCADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@H]1CO ZINC000902631821 584646810 /nfs/dbraw/zinc/64/68/10/584646810.db2.gz JKZSAXZFDQHPAW-NSHDSACASA-N 1 2 238.331 0.803 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CC[C@H]1CO ZINC000902630383 584646994 /nfs/dbraw/zinc/64/69/94/584646994.db2.gz ALBGUMIXVWUCGA-QWRGUYRKSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CC[C@H]1CO ZINC000902630383 584646995 /nfs/dbraw/zinc/64/69/95/584646995.db2.gz ALBGUMIXVWUCGA-QWRGUYRKSA-N 1 2 224.304 0.269 20 0 BCADLO CCOC(=O)c1cnn(C[N@@H+]2CC[C@H]2CO)c1 ZINC000902630687 584647082 /nfs/dbraw/zinc/64/70/82/584647082.db2.gz CFXSJPBVEUSTAF-JTQLQIEISA-N 1 2 239.275 0.084 20 0 BCADLO CCOC(=O)c1cnn(C[N@H+]2CC[C@H]2CO)c1 ZINC000902630687 584647084 /nfs/dbraw/zinc/64/70/84/584647084.db2.gz CFXSJPBVEUSTAF-JTQLQIEISA-N 1 2 239.275 0.084 20 0 BCADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631300 584647248 /nfs/dbraw/zinc/64/72/48/584647248.db2.gz GRJSCBNITDVGGL-NEPJUHHUSA-N 1 2 240.347 0.905 20 0 BCADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631300 584647250 /nfs/dbraw/zinc/64/72/50/584647250.db2.gz GRJSCBNITDVGGL-NEPJUHHUSA-N 1 2 240.347 0.905 20 0 BCADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CC[C@H]1CO ZINC000902630926 584647291 /nfs/dbraw/zinc/64/72/91/584647291.db2.gz SMHOAKJESMAAQS-STQMWFEESA-N 1 2 246.310 0.984 20 0 BCADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CC[C@H]1CO ZINC000902630926 584647293 /nfs/dbraw/zinc/64/72/93/584647293.db2.gz SMHOAKJESMAAQS-STQMWFEESA-N 1 2 246.310 0.984 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902632445 584647490 /nfs/dbraw/zinc/64/74/90/584647490.db2.gz NGYSUONFIQKOCD-VHSXEESVSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902632445 584647493 /nfs/dbraw/zinc/64/74/93/584647493.db2.gz NGYSUONFIQKOCD-VHSXEESVSA-N 1 2 212.293 0.269 20 0 BCADLO CC1(C)CN(C[N@@H+]2CC[C@@H]2CO)C(=O)O1 ZINC000902632437 584647964 /nfs/dbraw/zinc/64/79/64/584647964.db2.gz NCSYKWIEHGCHNT-MRVPVSSYSA-N 1 2 214.265 0.241 20 0 BCADLO CC1(C)CN(C[N@H+]2CC[C@@H]2CO)C(=O)O1 ZINC000902632437 584647965 /nfs/dbraw/zinc/64/79/65/584647965.db2.gz NCSYKWIEHGCHNT-MRVPVSSYSA-N 1 2 214.265 0.241 20 0 BCADLO CC(C)[C@H]1CCN(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902634704 584648270 /nfs/dbraw/zinc/64/82/70/584648270.db2.gz PPJDUGSHLLXNIH-GHMZBOCLSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@H]1CCN(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902634704 584648271 /nfs/dbraw/zinc/64/82/71/584648271.db2.gz PPJDUGSHLLXNIH-GHMZBOCLSA-N 1 2 226.320 0.515 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(=O)n1C ZINC000902654741 584650009 /nfs/dbraw/zinc/65/00/09/584650009.db2.gz XERBHDKJTGJOOP-PHIMTYICSA-N 1 2 236.319 0.580 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(=O)n1C ZINC000902654741 584650012 /nfs/dbraw/zinc/65/00/12/584650012.db2.gz XERBHDKJTGJOOP-PHIMTYICSA-N 1 2 236.319 0.580 20 0 BCADLO CCc1onc(C)c1CO[NH+]=C(N)CCO ZINC000902729404 584661746 /nfs/dbraw/zinc/66/17/46/584661746.db2.gz PVORODJYGLOCBT-UHFFFAOYSA-N 1 2 227.264 0.926 20 0 BCADLO NC(=[NH+]OCCO[C@H]1CCOC1)[C@H]1CCCO1 ZINC000902738162 584662583 /nfs/dbraw/zinc/66/25/83/584662583.db2.gz GXPHAWQKKYLWLM-VHSXEESVSA-N 1 2 244.291 0.469 20 0 BCADLO Cn1c[nH+]c2cc(OCc3nnn(C)n3)ccc21 ZINC000902781010 584670365 /nfs/dbraw/zinc/67/03/65/584670365.db2.gz BLMPAJPBHSIUFJ-UHFFFAOYSA-N 1 2 244.258 0.676 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OC1COC1 ZINC000902806251 584671869 /nfs/dbraw/zinc/67/18/69/584671869.db2.gz PLVUNKFNEXYRPJ-MRVPVSSYSA-N 1 2 225.248 0.397 20 0 BCADLO COc1c(C)c[nH+]c(CNC(=O)CCO)c1C ZINC000902835020 584679238 /nfs/dbraw/zinc/67/92/38/584679238.db2.gz VQEPXCRPQYTZTR-UHFFFAOYSA-N 1 2 238.287 0.706 20 0 BCADLO C[C@H]1CCN(C(=O)CCO)C[C@@H]1n1cc[nH+]c1 ZINC000902901119 584693486 /nfs/dbraw/zinc/69/34/86/584693486.db2.gz PQCMPYGZXVEJRH-QWRGUYRKSA-N 1 2 237.303 0.675 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)OC1COC1 ZINC000902927843 584697788 /nfs/dbraw/zinc/69/77/88/584697788.db2.gz CDOGZZIFRQSQLD-UHFFFAOYSA-N 1 2 211.221 0.377 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccc[nH]1 ZINC000902932914 584699370 /nfs/dbraw/zinc/69/93/70/584699370.db2.gz GNBXCXBKLKJOEQ-MRVPVSSYSA-N 1 2 221.260 0.018 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccc[nH]1 ZINC000902932914 584699371 /nfs/dbraw/zinc/69/93/71/584699371.db2.gz GNBXCXBKLKJOEQ-MRVPVSSYSA-N 1 2 221.260 0.018 20 0 BCADLO Cc1nsc(C(=O)NC[C@@H]2CC[N@H+]2C)n1 ZINC000902934928 584699623 /nfs/dbraw/zinc/69/96/23/584699623.db2.gz SIAGARJHQQCPER-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nsc(C(=O)NC[C@@H]2CC[N@@H+]2C)n1 ZINC000902934928 584699624 /nfs/dbraw/zinc/69/96/24/584699624.db2.gz SIAGARJHQQCPER-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)OC1COC1 ZINC000902938786 584701021 /nfs/dbraw/zinc/70/10/21/584701021.db2.gz LMDQTUGDXONUAU-UHFFFAOYSA-N 1 2 238.243 0.715 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C ZINC000902940492 584701393 /nfs/dbraw/zinc/70/13/93/584701393.db2.gz RARWNEYOACISIA-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C(=O)N1 ZINC000902994793 584712262 /nfs/dbraw/zinc/71/22/62/584712262.db2.gz IQRTWRYJYONCQY-JGVFFNPUSA-N 1 2 214.240 0.226 20 0 BCADLO O=C1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C(=O)N1 ZINC000902994793 584712263 /nfs/dbraw/zinc/71/22/63/584712263.db2.gz IQRTWRYJYONCQY-JGVFFNPUSA-N 1 2 214.240 0.226 20 0 BCADLO O=C1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C(=O)N1 ZINC000902994795 584712552 /nfs/dbraw/zinc/71/25/52/584712552.db2.gz IQRTWRYJYONCQY-YUMQZZPRSA-N 1 2 214.240 0.226 20 0 BCADLO O=C1CC[C@H]([N@H+]2CCC[C@H](F)C2)C(=O)N1 ZINC000902994795 584712553 /nfs/dbraw/zinc/71/25/53/584712553.db2.gz IQRTWRYJYONCQY-YUMQZZPRSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](F)C2)CCO1 ZINC000903002770 584716044 /nfs/dbraw/zinc/71/60/44/584716044.db2.gz HBNAGXKTVYRZIE-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](F)C2)CCO1 ZINC000903002770 584716046 /nfs/dbraw/zinc/71/60/46/584716046.db2.gz HBNAGXKTVYRZIE-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](F)C2)CCO1 ZINC000903002769 584716104 /nfs/dbraw/zinc/71/61/04/584716104.db2.gz HBNAGXKTVYRZIE-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](F)C2)CCO1 ZINC000903002769 584716105 /nfs/dbraw/zinc/71/61/05/584716105.db2.gz HBNAGXKTVYRZIE-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002933 584716453 /nfs/dbraw/zinc/71/64/53/584716453.db2.gz IKIKUAVRVWWSNR-MRVPVSSYSA-N 1 2 231.271 0.266 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002933 584716455 /nfs/dbraw/zinc/71/64/55/584716455.db2.gz IKIKUAVRVWWSNR-MRVPVSSYSA-N 1 2 231.271 0.266 20 0 BCADLO Fc1cc(C[N@@H+]2CCn3cnnc3C2)ccn1 ZINC000859126521 589006255 /nfs/dbraw/zinc/00/62/55/589006255.db2.gz LVCODLPQRABXIG-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cc(C[N@H+]2CCn3cnnc3C2)ccn1 ZINC000859126521 589006257 /nfs/dbraw/zinc/00/62/57/589006257.db2.gz LVCODLPQRABXIG-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNC(=O)CCO ZINC000903046366 584723630 /nfs/dbraw/zinc/72/36/30/584723630.db2.gz VIUXGUHGRJVLEC-UHFFFAOYSA-N 1 2 233.271 0.641 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000903765867 584797414 /nfs/dbraw/zinc/79/74/14/584797414.db2.gz LNQKJXIVQCOFMW-LNFKQOIKSA-N 1 2 244.310 0.557 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000903765867 584797415 /nfs/dbraw/zinc/79/74/15/584797415.db2.gz LNQKJXIVQCOFMW-LNFKQOIKSA-N 1 2 244.310 0.557 20 0 BCADLO C[C@@H](O)CC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903897017 584819730 /nfs/dbraw/zinc/81/97/30/584819730.db2.gz XUULQEGQHJCRRV-HTQZYQBOSA-N 1 2 210.268 0.672 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903897017 584819732 /nfs/dbraw/zinc/81/97/32/584819732.db2.gz XUULQEGQHJCRRV-HTQZYQBOSA-N 1 2 210.268 0.672 20 0 BCADLO C[C@H](O)CC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903897020 584819928 /nfs/dbraw/zinc/81/99/28/584819928.db2.gz XUULQEGQHJCRRV-YUMQZZPRSA-N 1 2 210.268 0.672 20 0 BCADLO C[C@H](O)CC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903897020 584819929 /nfs/dbraw/zinc/81/99/29/584819929.db2.gz XUULQEGQHJCRRV-YUMQZZPRSA-N 1 2 210.268 0.672 20 0 BCADLO CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903920002 584823208 /nfs/dbraw/zinc/82/32/08/584823208.db2.gz RCQUTLCCZRFZCQ-JGVFFNPUSA-N 1 2 223.311 0.932 20 0 BCADLO O=C([O-])[C@]12C[C@H]1CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000903936812 584826151 /nfs/dbraw/zinc/82/61/51/584826151.db2.gz WJQCHHTYCYCVDG-PWSUYJOCSA-N 1 2 235.287 0.822 20 0 BCADLO O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCn1cc[nH+]c1 ZINC000903936812 584826152 /nfs/dbraw/zinc/82/61/52/584826152.db2.gz WJQCHHTYCYCVDG-PWSUYJOCSA-N 1 2 235.287 0.822 20 0 BCADLO Cc1[nH+]cc(C[NH2+][C@@]2(C(=O)[O-])CCOC2)n1C ZINC000904009939 584837637 /nfs/dbraw/zinc/83/76/37/584837637.db2.gz LMSADWDJZCWBKC-NSHDSACASA-N 1 2 239.275 0.062 20 0 BCADLO C[N@H+](Cc1ccc(N)nn1)[C@H]1CCCCNC1=O ZINC000904314398 584863476 /nfs/dbraw/zinc/86/34/76/584863476.db2.gz VXGLMYKKQFZVCN-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO C[N@@H+](Cc1ccc(N)nn1)[C@H]1CCCCNC1=O ZINC000904314398 584863477 /nfs/dbraw/zinc/86/34/77/584863477.db2.gz VXGLMYKKQFZVCN-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ccc(N)nn2)[C@@H](C(N)=O)C1 ZINC000904340165 584866712 /nfs/dbraw/zinc/86/67/12/584866712.db2.gz FIXVNKSMHSXXFX-WCBMZHEXSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)[C@@H](C(N)=O)C1 ZINC000904340165 584866714 /nfs/dbraw/zinc/86/67/14/584866714.db2.gz FIXVNKSMHSXXFX-WCBMZHEXSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ccc(N)nn2)[C@H](C(N)=O)C1 ZINC000904340166 584866917 /nfs/dbraw/zinc/86/69/17/584866917.db2.gz FIXVNKSMHSXXFX-WPRPVWTQSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)[C@H](C(N)=O)C1 ZINC000904340166 584866918 /nfs/dbraw/zinc/86/69/18/584866918.db2.gz FIXVNKSMHSXXFX-WPRPVWTQSA-N 1 2 249.318 0.145 20 0 BCADLO Fc1cccc(F)c1C[NH2+][C@@H]1CNOC1 ZINC000904421516 584881947 /nfs/dbraw/zinc/88/19/47/584881947.db2.gz HZAYOYFOVSQDOG-SSDOTTSWSA-N 1 2 214.215 0.958 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1=O ZINC000758320492 584905469 /nfs/dbraw/zinc/90/54/69/584905469.db2.gz GMPJKVPXSYXPPH-SNVBAGLBSA-N 1 2 248.286 0.622 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@@H](c3ccco3)C2)c1=O ZINC000758320492 584905471 /nfs/dbraw/zinc/90/54/71/584905471.db2.gz GMPJKVPXSYXPPH-SNVBAGLBSA-N 1 2 248.286 0.622 20 0 BCADLO CN(C1CC[NH+](CCF)CC1)S(C)(=O)=O ZINC000759330383 584906588 /nfs/dbraw/zinc/90/65/88/584906588.db2.gz LFYLKSBGJBAJDJ-UHFFFAOYSA-N 1 2 238.328 0.312 20 0 BCADLO Cc1nnc(COC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC000741147149 584912096 /nfs/dbraw/zinc/91/20/96/584912096.db2.gz SXJMBWQYEROOAI-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nnc(COC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC000741147149 584912097 /nfs/dbraw/zinc/91/20/97/584912097.db2.gz SXJMBWQYEROOAI-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nnc(COC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC000741147150 584912126 /nfs/dbraw/zinc/91/21/26/584912126.db2.gz SXJMBWQYEROOAI-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC000741147150 584912127 /nfs/dbraw/zinc/91/21/27/584912127.db2.gz SXJMBWQYEROOAI-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cc[n+]([O-])cc1 ZINC000731859160 584929693 /nfs/dbraw/zinc/92/96/93/584929693.db2.gz SYUHYYPHXHBHSG-UHFFFAOYSA-N 1 2 231.211 0.095 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)c2ccco2)c[nH+]1 ZINC000732271692 584935195 /nfs/dbraw/zinc/93/51/95/584935195.db2.gz OVQIKNWEKWMFSK-SECBINFHSA-N 1 2 235.243 0.775 20 0 BCADLO Cc1cccn2cc(CC(=O)OCC(N)=O)[nH+]c12 ZINC000732357479 584936105 /nfs/dbraw/zinc/93/61/05/584936105.db2.gz GBEWMJNZWOROBP-UHFFFAOYSA-N 1 2 247.254 0.214 20 0 BCADLO CCO[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000788046809 584938917 /nfs/dbraw/zinc/93/89/17/584938917.db2.gz KMVWUBGZBFATFO-VIFPVBQESA-N 1 2 226.276 0.931 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)OCC[NH+]1CCOCC1 ZINC000732716849 584940141 /nfs/dbraw/zinc/94/01/41/584940141.db2.gz SDEBJGHHJHDDJG-JTQLQIEISA-N 1 2 245.319 0.269 20 0 BCADLO O[C@H](C[NH+]1CC(OCC(F)F)C1)C1CC1 ZINC000840757326 584943744 /nfs/dbraw/zinc/94/37/44/584943744.db2.gz JNEITWLFJICPMU-SECBINFHSA-N 1 2 221.247 0.723 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C2(C)COC2)CCO1 ZINC000800198427 584944082 /nfs/dbraw/zinc/94/40/82/584944082.db2.gz SQDBDVGGEGMQQK-SNVBAGLBSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C2(C)COC2)CCO1 ZINC000800198427 584944083 /nfs/dbraw/zinc/94/40/83/584944083.db2.gz SQDBDVGGEGMQQK-SNVBAGLBSA-N 1 2 243.303 0.287 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000768343279 584949964 /nfs/dbraw/zinc/94/99/64/584949964.db2.gz OKMNQXYVZPVBMB-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO COCCC[N@H+](CCOC)Cc1nonc1C ZINC000734146192 584957170 /nfs/dbraw/zinc/95/71/70/584957170.db2.gz JLYFYJCLQWQHSS-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1nonc1C ZINC000734146192 584957171 /nfs/dbraw/zinc/95/71/71/584957171.db2.gz JLYFYJCLQWQHSS-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO Cc1nonc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000734148919 584957601 /nfs/dbraw/zinc/95/76/01/584957601.db2.gz QGDVPPBBMZDSJO-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCCO[C@H](C)C1 ZINC000734148919 584957602 /nfs/dbraw/zinc/95/76/02/584957602.db2.gz QGDVPPBBMZDSJO-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000734148724 584957673 /nfs/dbraw/zinc/95/76/73/584957673.db2.gz JBMNPVJQBCUURP-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000734148724 584957674 /nfs/dbraw/zinc/95/76/74/584957674.db2.gz JBMNPVJQBCUURP-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1CN(C)CC[NH+]1CCOCC1 ZINC000734150032 584957696 /nfs/dbraw/zinc/95/76/96/584957696.db2.gz XNVUWAGOFQUWIH-UHFFFAOYSA-N 1 2 240.307 0.142 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nonc2C)CCCC1 ZINC000734149308 584957873 /nfs/dbraw/zinc/95/78/73/584957873.db2.gz HCZBRSBNENTGDV-UHFFFAOYSA-N 1 2 238.291 0.526 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCc2c[nH]nn2)n1 ZINC000735024344 584971748 /nfs/dbraw/zinc/97/17/48/584971748.db2.gz FAGJHIXVVYUXSG-ZCFIWIBFSA-N 1 2 222.252 0.389 20 0 BCADLO CNC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735990158 584986012 /nfs/dbraw/zinc/98/60/12/584986012.db2.gz TXPFEPRNNUWYPL-UHFFFAOYSA-N 1 2 211.294 0.514 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C=O)[nH]2)CC[N@H+]1C ZINC000771409805 585003095 /nfs/dbraw/zinc/00/30/95/585003095.db2.gz YETSVPBOGAORQD-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C=O)[nH]2)CC[N@@H+]1C ZINC000771409805 585003096 /nfs/dbraw/zinc/00/30/96/585003096.db2.gz YETSVPBOGAORQD-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO CO[C@@H]1CCOC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000889193991 585014596 /nfs/dbraw/zinc/01/45/96/585014596.db2.gz HDBQHWDRJZDNPZ-NXEZZACHSA-N 1 2 239.275 0.252 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CCOC2)c1 ZINC000821369977 585016039 /nfs/dbraw/zinc/01/60/39/585016039.db2.gz NMZKXSLBTLPFLC-NSCUHMNNSA-N 1 2 207.233 0.250 20 0 BCADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)nn1 ZINC000890103779 585023418 /nfs/dbraw/zinc/02/34/18/585023418.db2.gz CWIQRLOUBUZVDS-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2CC(=O)C2)c1 ZINC000890109455 585023803 /nfs/dbraw/zinc/02/38/03/585023803.db2.gz OFHFTSXTWPBDEW-UHFFFAOYSA-N 1 2 207.233 0.015 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H](CO)CCF)c1 ZINC000824052891 585028562 /nfs/dbraw/zinc/02/85/62/585028562.db2.gz LXAXDXHJPAQOLP-VMZHVLLKSA-N 1 2 241.266 0.270 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CN1C[C@@H](C)CC1=O ZINC000738082490 585040788 /nfs/dbraw/zinc/04/07/88/585040788.db2.gz ALKZHQSDFOMDRB-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1COCC[N@H+]1CN1C[C@@H](C)CC1=O ZINC000738082490 585040789 /nfs/dbraw/zinc/04/07/89/585040789.db2.gz ALKZHQSDFOMDRB-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CN1C[C@H](C)CC1=O ZINC000738082489 585041041 /nfs/dbraw/zinc/04/10/41/585041041.db2.gz ALKZHQSDFOMDRB-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1COCC[N@H+]1CN1C[C@H](C)CC1=O ZINC000738082489 585041042 /nfs/dbraw/zinc/04/10/42/585041042.db2.gz ALKZHQSDFOMDRB-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)ONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838115407 585046173 /nfs/dbraw/zinc/04/61/73/585046173.db2.gz OURQZYSDSRHAIA-JTQLQIEISA-N 1 2 245.323 0.346 20 0 BCADLO CC(C)ONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838115407 585046174 /nfs/dbraw/zinc/04/61/74/585046174.db2.gz OURQZYSDSRHAIA-JTQLQIEISA-N 1 2 245.323 0.346 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)n1 ZINC000838797473 585068697 /nfs/dbraw/zinc/06/86/97/585068697.db2.gz QLSDXBZJZNIOEY-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](C(=O)OC)C2)n1 ZINC000838797473 585068698 /nfs/dbraw/zinc/06/86/98/585068698.db2.gz QLSDXBZJZNIOEY-SECBINFHSA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncc(C[NH+](CCOC)CCOC)n1 ZINC000838782015 585069564 /nfs/dbraw/zinc/06/95/64/585069564.db2.gz FMNBJQKQFPOQFL-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000838847404 585074359 /nfs/dbraw/zinc/07/43/59/585074359.db2.gz VJOAQHNHPOTTFO-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000838847404 585074360 /nfs/dbraw/zinc/07/43/60/585074360.db2.gz VJOAQHNHPOTTFO-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000838847402 585074557 /nfs/dbraw/zinc/07/45/57/585074557.db2.gz VJOAQHNHPOTTFO-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000838847402 585074558 /nfs/dbraw/zinc/07/45/58/585074558.db2.gz VJOAQHNHPOTTFO-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO O[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000838967482 585082828 /nfs/dbraw/zinc/08/28/28/585082828.db2.gz WITMFLMMZJWQEI-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000838967482 585082829 /nfs/dbraw/zinc/08/28/29/585082829.db2.gz WITMFLMMZJWQEI-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000839068665 585089682 /nfs/dbraw/zinc/08/96/82/585089682.db2.gz IFTAJCMMJUPAFQ-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000839068665 585089683 /nfs/dbraw/zinc/08/96/83/585089683.db2.gz IFTAJCMMJUPAFQ-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CC(=O)N(CC)C2)n1 ZINC000839128389 585093629 /nfs/dbraw/zinc/09/36/29/585093629.db2.gz DWYDNXLJTMWDTP-SECBINFHSA-N 1 2 237.307 0.008 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cnn(CC)n1 ZINC000839128219 585093638 /nfs/dbraw/zinc/09/36/38/585093638.db2.gz URSMQOQAWVJSSA-GHMZBOCLSA-N 1 2 240.307 0.192 20 0 BCADLO CCn1ncc(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000839138663 585094516 /nfs/dbraw/zinc/09/45/16/585094516.db2.gz RUQUPEWMZDLNKQ-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000839191032 585097517 /nfs/dbraw/zinc/09/75/17/585097517.db2.gz NDVJFDJXYKLSJW-LPEHRKFASA-N 1 2 225.288 0.849 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@H]1CCOC1=O ZINC000839466956 585104929 /nfs/dbraw/zinc/10/49/29/585104929.db2.gz KZBKVCIZYPBFQS-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@H]1CCOC1=O ZINC000839466956 585104930 /nfs/dbraw/zinc/10/49/30/585104930.db2.gz KZBKVCIZYPBFQS-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147604 585110712 /nfs/dbraw/zinc/11/07/12/585110712.db2.gz VYJNXEWTPVFOAB-ZJUUUORDSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147604 585110713 /nfs/dbraw/zinc/11/07/13/585110713.db2.gz VYJNXEWTPVFOAB-ZJUUUORDSA-N 1 2 213.277 0.991 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000741254127 585111429 /nfs/dbraw/zinc/11/14/29/585111429.db2.gz MBFJKJOQMUHFJA-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000741254127 585111430 /nfs/dbraw/zinc/11/14/30/585111430.db2.gz MBFJKJOQMUHFJA-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000741250132 585111542 /nfs/dbraw/zinc/11/15/42/585111542.db2.gz RTHZZAZKCSPHBP-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000741250132 585111543 /nfs/dbraw/zinc/11/15/43/585111543.db2.gz RTHZZAZKCSPHBP-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC)CCO1 ZINC000741388637 585113307 /nfs/dbraw/zinc/11/33/07/585113307.db2.gz PUVDLKFUVDIHIK-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)CC)CCO1 ZINC000741388637 585113308 /nfs/dbraw/zinc/11/33/08/585113308.db2.gz PUVDLKFUVDIHIK-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000741777123 585118000 /nfs/dbraw/zinc/11/80/00/585118000.db2.gz JSXYLTYHKSPUTG-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000741777123 585118001 /nfs/dbraw/zinc/11/80/01/585118001.db2.gz JSXYLTYHKSPUTG-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000741777120 585118205 /nfs/dbraw/zinc/11/82/05/585118205.db2.gz JSXYLTYHKSPUTG-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000741777120 585118206 /nfs/dbraw/zinc/11/82/06/585118206.db2.gz JSXYLTYHKSPUTG-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC1(C)COC1 ZINC000742356863 585124690 /nfs/dbraw/zinc/12/46/90/585124690.db2.gz JMSSMNOZISQJTN-UHFFFAOYSA-N 1 2 216.281 0.946 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000742365248 585125042 /nfs/dbraw/zinc/12/50/42/585125042.db2.gz MWECRNCUKJMPBP-VIFPVBQESA-N 1 2 245.323 0.682 20 0 BCADLO COC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000742762532 585131251 /nfs/dbraw/zinc/13/12/51/585131251.db2.gz PKYIWRCQZKCJHX-JTQLQIEISA-N 1 2 228.292 0.549 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ncccn1 ZINC000743340988 585135229 /nfs/dbraw/zinc/13/52/29/585135229.db2.gz PKPKKDJIWSLFDP-UHFFFAOYSA-N 1 2 214.228 0.854 20 0 BCADLO COCC[N@H+](C)CN1C(=O)CC12CCC2 ZINC000743355941 585135777 /nfs/dbraw/zinc/13/57/77/585135777.db2.gz IXDBVKOKKYDYEG-UHFFFAOYSA-N 1 2 212.293 0.677 20 0 BCADLO COCC[N@@H+](C)CN1C(=O)CC12CCC2 ZINC000743355941 585135778 /nfs/dbraw/zinc/13/57/78/585135778.db2.gz IXDBVKOKKYDYEG-UHFFFAOYSA-N 1 2 212.293 0.677 20 0 BCADLO C[N@H+](Cn1cc[nH]c1=S)[C@@H]1CCOC1 ZINC000743362028 585136264 /nfs/dbraw/zinc/13/62/64/585136264.db2.gz DAZMSCBVJPJBCF-MRVPVSSYSA-N 1 2 213.306 0.850 20 0 BCADLO C[N@H+](CN1C(=O)CC12CCC2)[C@H]1CCOC1 ZINC000743362102 585136236 /nfs/dbraw/zinc/13/62/36/585136236.db2.gz GPARNVDCGBMAJD-JTQLQIEISA-N 1 2 224.304 0.820 20 0 BCADLO C[N@@H+](CN1C(=O)CC12CCC2)[C@H]1CCOC1 ZINC000743362102 585136237 /nfs/dbraw/zinc/13/62/37/585136237.db2.gz GPARNVDCGBMAJD-JTQLQIEISA-N 1 2 224.304 0.820 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)COC)CCO1 ZINC000743850282 585141013 /nfs/dbraw/zinc/14/10/13/585141013.db2.gz IPULEPDSAQXIHD-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)COC)CCO1 ZINC000743850282 585141014 /nfs/dbraw/zinc/14/10/14/585141014.db2.gz IPULEPDSAQXIHD-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081307 585156339 /nfs/dbraw/zinc/15/63/39/585156339.db2.gz GMKJYTSRGUMTAH-DTWKUNHWSA-N 1 2 229.276 0.575 20 0 BCADLO COC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081307 585156340 /nfs/dbraw/zinc/15/63/40/585156340.db2.gz GMKJYTSRGUMTAH-DTWKUNHWSA-N 1 2 229.276 0.575 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1=O ZINC000745084348 585156530 /nfs/dbraw/zinc/15/65/30/585156530.db2.gz SQSRBKOMORKWLA-UWVGGRQHSA-N 1 2 241.287 0.720 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1=O ZINC000745084348 585156531 /nfs/dbraw/zinc/15/65/31/585156531.db2.gz SQSRBKOMORKWLA-UWVGGRQHSA-N 1 2 241.287 0.720 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1=O ZINC000745085920 585156576 /nfs/dbraw/zinc/15/65/76/585156576.db2.gz PFOOFEFNYYRYCA-BDAKNGLRSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1=O ZINC000745085920 585156577 /nfs/dbraw/zinc/15/65/77/585156577.db2.gz PFOOFEFNYYRYCA-BDAKNGLRSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+](Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 ZINC000745983088 585162302 /nfs/dbraw/zinc/16/23/02/585162302.db2.gz DPJSNCDSNGNNLK-JTQLQIEISA-N 1 2 229.301 0.899 20 0 BCADLO C[N@@H+](Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 ZINC000745983088 585162303 /nfs/dbraw/zinc/16/23/03/585162303.db2.gz DPJSNCDSNGNNLK-JTQLQIEISA-N 1 2 229.301 0.899 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCOC1=O ZINC000745983576 585162438 /nfs/dbraw/zinc/16/24/38/585162438.db2.gz YHYPFLKJSROBSM-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCOC1=O ZINC000745983576 585162439 /nfs/dbraw/zinc/16/24/39/585162439.db2.gz YHYPFLKJSROBSM-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO C[C@H](CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC000746225645 585165897 /nfs/dbraw/zinc/16/58/97/585165897.db2.gz ZEXKDNOBPDIIHI-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO CCCCOC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000746228396 585166029 /nfs/dbraw/zinc/16/60/29/585166029.db2.gz DBCNHGWLDDSKKW-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO Cc1nonc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000746244672 585166301 /nfs/dbraw/zinc/16/63/01/585166301.db2.gz XDQVUOBDVHFZFA-UHFFFAOYSA-N 1 2 221.220 0.074 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000746499915 585168875 /nfs/dbraw/zinc/16/88/75/585168875.db2.gz OKRNRFIOUZBVNN-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000746499915 585168876 /nfs/dbraw/zinc/16/88/76/585168876.db2.gz OKRNRFIOUZBVNN-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO CCN(C)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789628402 585178139 /nfs/dbraw/zinc/17/81/39/585178139.db2.gz WCIYEYLKCLAEIO-MRVPVSSYSA-N 1 2 229.280 0.142 20 0 BCADLO Cc1nonc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400795 585178628 /nfs/dbraw/zinc/17/86/28/585178628.db2.gz OSSAMFRDGYYEBG-MRVPVSSYSA-N 1 2 249.274 0.641 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000886819120 585179283 /nfs/dbraw/zinc/17/92/83/585179283.db2.gz OICDUOQIPWBOPO-ZJUUUORDSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000886819120 585179284 /nfs/dbraw/zinc/17/92/84/585179284.db2.gz OICDUOQIPWBOPO-ZJUUUORDSA-N 1 2 237.307 0.211 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccon2)c[nH+]1 ZINC000747515787 585180522 /nfs/dbraw/zinc/18/05/22/585180522.db2.gz SADFRMBOCHYZGI-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CCONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000747648890 585181945 /nfs/dbraw/zinc/18/19/45/585181945.db2.gz NRBYXAVSVJBHCI-QMMMGPOBSA-N 1 2 209.249 0.513 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC(C)=O)C1 ZINC000747763135 585183803 /nfs/dbraw/zinc/18/38/03/585183803.db2.gz MBBFEQTVLINMJT-SNVBAGLBSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](OC(C)=O)C1 ZINC000747763135 585183804 /nfs/dbraw/zinc/18/38/04/585183804.db2.gz MBBFEQTVLINMJT-SNVBAGLBSA-N 1 2 229.276 0.577 20 0 BCADLO CCN(CC)C(=O)CO[NH+]=C(N)COC(C)C ZINC000747826071 585184869 /nfs/dbraw/zinc/18/48/69/585184869.db2.gz UULWKBIKYARGHG-UHFFFAOYSA-N 1 2 245.323 0.778 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1cc[n+]([O-])cc1 ZINC000748204381 585189211 /nfs/dbraw/zinc/18/92/11/585189211.db2.gz HPTVBHGXKYSBLA-UHFFFAOYSA-N 1 2 245.238 0.976 20 0 BCADLO C[C@H]1CN(C(=O)c2cnns2)CC[N@@H+]1C ZINC000748348299 585191009 /nfs/dbraw/zinc/19/10/09/585191009.db2.gz FGYUDNPYRMQEBM-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@H]1CN(C(=O)c2cnns2)CC[N@H+]1C ZINC000748348299 585191010 /nfs/dbraw/zinc/19/10/10/585191010.db2.gz FGYUDNPYRMQEBM-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncccn1 ZINC000748404780 585192364 /nfs/dbraw/zinc/19/23/64/585192364.db2.gz CWSXYHQUBDOHLN-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1nonc1C(=O)NCc1[nH]c[nH+]c1C ZINC000748405830 585192497 /nfs/dbraw/zinc/19/24/97/585192497.db2.gz MPGFAXMUMBOTBD-UHFFFAOYSA-N 1 2 221.220 0.340 20 0 BCADLO CCOCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748459155 585193226 /nfs/dbraw/zinc/19/32/26/585193226.db2.gz NQJTVRUWAQJQQO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748459155 585193227 /nfs/dbraw/zinc/19/32/27/585193227.db2.gz NQJTVRUWAQJQQO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO Cn1c[nH+]cc1CSCCS(C)(=O)=O ZINC000748653733 585194597 /nfs/dbraw/zinc/19/45/97/585194597.db2.gz NVBGGSXYVHMEMM-UHFFFAOYSA-N 1 2 234.346 0.698 20 0 BCADLO CCOC(=O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000748722102 585195116 /nfs/dbraw/zinc/19/51/16/585195116.db2.gz OMVPBMKKVXSCGF-UHFFFAOYSA-N 1 2 244.291 0.370 20 0 BCADLO COCCONC(=O)c1ccc2[nH+]ccn2c1 ZINC000748771783 585195593 /nfs/dbraw/zinc/19/55/93/585195593.db2.gz UWFJSFJAAWSNII-UHFFFAOYSA-N 1 2 235.243 0.642 20 0 BCADLO CC[N@H+](C/C=C(/C)C(=O)OC)CC(=O)OC ZINC000748811621 585196678 /nfs/dbraw/zinc/19/66/78/585196678.db2.gz ASPGJEJMVODZHT-TWGQIWQCSA-N 1 2 229.276 0.601 20 0 BCADLO CC[N@@H+](C/C=C(/C)C(=O)OC)CC(=O)OC ZINC000748811621 585196679 /nfs/dbraw/zinc/19/66/79/585196679.db2.gz ASPGJEJMVODZHT-TWGQIWQCSA-N 1 2 229.276 0.601 20 0 BCADLO CONC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000749166039 585200300 /nfs/dbraw/zinc/20/03/00/585200300.db2.gz SBHUJLXQJGBBOM-GFCCVEGCSA-N 1 2 249.314 0.971 20 0 BCADLO CONC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000749166039 585200301 /nfs/dbraw/zinc/20/03/01/585200301.db2.gz SBHUJLXQJGBBOM-GFCCVEGCSA-N 1 2 249.314 0.971 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)[nH]n2)C1 ZINC000749553484 585203583 /nfs/dbraw/zinc/20/35/83/585203583.db2.gz OAIYTXBYVQDWNX-ZCFIWIBFSA-N 1 2 244.682 0.332 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)[nH]n2)C1 ZINC000749553484 585203584 /nfs/dbraw/zinc/20/35/84/585203584.db2.gz OAIYTXBYVQDWNX-ZCFIWIBFSA-N 1 2 244.682 0.332 20 0 BCADLO CCONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000749568900 585204028 /nfs/dbraw/zinc/20/40/28/585204028.db2.gz XWGLLPFJSRCJHL-QMMMGPOBSA-N 1 2 209.249 0.513 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(C)cn1 ZINC000750282405 585212792 /nfs/dbraw/zinc/21/27/92/585212792.db2.gz IKJYTRYILMFIRK-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(C)cn1 ZINC000750282405 585212793 /nfs/dbraw/zinc/21/27/93/585212793.db2.gz IKJYTRYILMFIRK-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=S)NC2CC2)CCO1 ZINC000751013827 585223387 /nfs/dbraw/zinc/22/33/87/585223387.db2.gz GLAPMKXWGNJESU-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=S)NC2CC2)CCO1 ZINC000751013827 585223388 /nfs/dbraw/zinc/22/33/88/585223388.db2.gz GLAPMKXWGNJESU-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000751070202 585224007 /nfs/dbraw/zinc/22/40/07/585224007.db2.gz XIVAGOKJEADDQW-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000751070202 585224008 /nfs/dbraw/zinc/22/40/08/585224008.db2.gz XIVAGOKJEADDQW-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751367322 585227631 /nfs/dbraw/zinc/22/76/31/585227631.db2.gz NNWPXJQQYKZGDW-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751367322 585227632 /nfs/dbraw/zinc/22/76/32/585227632.db2.gz NNWPXJQQYKZGDW-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000751375460 585228199 /nfs/dbraw/zinc/22/81/99/585228199.db2.gz IKVXVNNLPFJOAJ-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000751375460 585228200 /nfs/dbraw/zinc/22/82/00/585228200.db2.gz IKVXVNNLPFJOAJ-FGUAACIASA-N 1 2 226.320 0.790 20 0 BCADLO CS/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000751559658 585232417 /nfs/dbraw/zinc/23/24/17/585232417.db2.gz CXRVBTCXVUSSBY-UQCOIBPSSA-N 1 2 211.290 0.876 20 0 BCADLO O=C(N[C@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC000752412099 585245568 /nfs/dbraw/zinc/24/55/68/585245568.db2.gz AZGFFDPISDPJQZ-VIFPVBQESA-N 1 2 231.255 0.853 20 0 BCADLO CO[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000752471896 585246349 /nfs/dbraw/zinc/24/63/49/585246349.db2.gz CMRUBYOHEKMQTC-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO Cn1c[nH+]cc1CON=C(N)c1cccnc1 ZINC000753118973 585253862 /nfs/dbraw/zinc/25/38/62/585253862.db2.gz VHVBSCALIREZGD-UHFFFAOYSA-N 1 2 231.259 0.862 20 0 BCADLO CC[N@H+](CC[C@H]1CCOC1=O)CC(=O)OC ZINC000753845858 585271081 /nfs/dbraw/zinc/27/10/81/585271081.db2.gz VNLVXJKRSCFSIV-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CC[N@@H+](CC[C@H]1CCOC1=O)CC(=O)OC ZINC000753845858 585271082 /nfs/dbraw/zinc/27/10/82/585271082.db2.gz VNLVXJKRSCFSIV-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO C/C=C\C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754300622 585281197 /nfs/dbraw/zinc/28/11/97/585281197.db2.gz WDKOEZCYLXHLSB-QGZUEGPWSA-N 1 2 244.360 0.085 20 0 BCADLO CN(CC(N)=O)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000754678733 585289267 /nfs/dbraw/zinc/28/92/67/585289267.db2.gz VDPHUEYUPFGYBL-UHFFFAOYSA-N 1 2 239.666 0.484 20 0 BCADLO CC1(CNC(=O)Cn2cc[nH+]c2)OCCCO1 ZINC000754720559 585289865 /nfs/dbraw/zinc/28/98/65/585289865.db2.gz RYTCLGDUZRVANA-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO COC(=O)CC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000755257927 585296847 /nfs/dbraw/zinc/29/68/47/585296847.db2.gz ODOUAKVCFNEIFE-UHFFFAOYSA-N 1 2 239.275 0.790 20 0 BCADLO CCOC(=O)c1cnn(C[N@H+](C)CCOC)c1 ZINC000755268600 585297129 /nfs/dbraw/zinc/29/71/29/585297129.db2.gz KUAOONDLNWTSEZ-UHFFFAOYSA-N 1 2 241.291 0.596 20 0 BCADLO CCOC(=O)c1cnn(C[N@@H+](C)CCOC)c1 ZINC000755268600 585297130 /nfs/dbraw/zinc/29/71/30/585297130.db2.gz KUAOONDLNWTSEZ-UHFFFAOYSA-N 1 2 241.291 0.596 20 0 BCADLO CCN1CC[N@H+](CC[C@H]2CCOC2=O)CC1=O ZINC000755290711 585297339 /nfs/dbraw/zinc/29/73/39/585297339.db2.gz UPACHEHTCQWYKJ-JTQLQIEISA-N 1 2 240.303 0.104 20 0 BCADLO CCN1CC[N@@H+](CC[C@H]2CCOC2=O)CC1=O ZINC000755290711 585297340 /nfs/dbraw/zinc/29/73/40/585297340.db2.gz UPACHEHTCQWYKJ-JTQLQIEISA-N 1 2 240.303 0.104 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C=C1CCC1 ZINC000755323292 585297623 /nfs/dbraw/zinc/29/76/23/585297623.db2.gz JXJFSGZRDINWDV-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C=C1CCC1 ZINC000755323292 585297624 /nfs/dbraw/zinc/29/76/24/585297624.db2.gz JXJFSGZRDINWDV-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000756095855 585314273 /nfs/dbraw/zinc/31/42/73/585314273.db2.gz VSLVOEFTPMKJJS-STUBTGCMSA-N 1 2 241.287 0.743 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@H]1C(=O)OC ZINC000756095855 585314274 /nfs/dbraw/zinc/31/42/74/585314274.db2.gz VSLVOEFTPMKJJS-STUBTGCMSA-N 1 2 241.287 0.743 20 0 BCADLO CC1(C)OCC(NC(=O)Cn2cc[nH+]c2)CO1 ZINC000756710313 585322488 /nfs/dbraw/zinc/32/24/88/585322488.db2.gz BBAHJNBPTBHUIG-UHFFFAOYSA-N 1 2 239.275 0.151 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626174 585332692 /nfs/dbraw/zinc/33/26/92/585332692.db2.gz PIKORKHGHPLELI-NHYWBVRUSA-N 1 2 231.361 0.866 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626174 585332693 /nfs/dbraw/zinc/33/26/93/585332693.db2.gz PIKORKHGHPLELI-NHYWBVRUSA-N 1 2 231.361 0.866 20 0 BCADLO CCc1noc(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000757837961 585345947 /nfs/dbraw/zinc/34/59/47/585345947.db2.gz ADVWVTQDYNDTMK-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1noc(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000757837961 585345948 /nfs/dbraw/zinc/34/59/48/585345948.db2.gz ADVWVTQDYNDTMK-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CNC(=O)[C@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000758123598 585349406 /nfs/dbraw/zinc/34/94/06/585349406.db2.gz DGKAZUCUTCGNAP-MRVPVSSYSA-N 1 2 238.291 0.119 20 0 BCADLO Cn1cnn(C[NH+]2C3CCC2CC3)c1=O ZINC000758288127 585353098 /nfs/dbraw/zinc/35/30/98/585353098.db2.gz AIYKQAKPSUYAES-UHFFFAOYSA-N 1 2 208.265 0.166 20 0 BCADLO C[C@H]([N@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000758292341 585353269 /nfs/dbraw/zinc/35/32/69/585353269.db2.gz PLXOVYOYBPRXGD-VIFPVBQESA-N 1 2 226.324 0.906 20 0 BCADLO C[C@H]([N@@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000758292341 585353270 /nfs/dbraw/zinc/35/32/70/585353270.db2.gz PLXOVYOYBPRXGD-VIFPVBQESA-N 1 2 226.324 0.906 20 0 BCADLO CC[N@H+](Cn1ncn(C)c1=O)[C@@H](C)C(C)C ZINC000758305874 585353589 /nfs/dbraw/zinc/35/35/89/585353589.db2.gz WHQFGABZFYRSEU-JTQLQIEISA-N 1 2 226.324 0.906 20 0 BCADLO CC[N@@H+](Cn1ncn(C)c1=O)[C@@H](C)C(C)C ZINC000758305874 585353590 /nfs/dbraw/zinc/35/35/90/585353590.db2.gz WHQFGABZFYRSEU-JTQLQIEISA-N 1 2 226.324 0.906 20 0 BCADLO CCC[N@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758308200 585353624 /nfs/dbraw/zinc/35/36/24/585353624.db2.gz ROTQFOSYBWTNLC-UHFFFAOYSA-N 1 2 224.308 0.680 20 0 BCADLO CCC[N@@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758308200 585353625 /nfs/dbraw/zinc/35/36/25/585353625.db2.gz ROTQFOSYBWTNLC-UHFFFAOYSA-N 1 2 224.308 0.680 20 0 BCADLO CC1(C)CC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758341134 585354075 /nfs/dbraw/zinc/35/40/75/585354075.db2.gz QEDGRAPCANCXAM-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO CC1(C)CC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758341134 585354076 /nfs/dbraw/zinc/35/40/76/585354076.db2.gz QEDGRAPCANCXAM-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO C[C@H]1CC[N@H+](Cn2ncn(C)c2=O)CC1(C)C ZINC000759001123 585363390 /nfs/dbraw/zinc/36/33/90/585363390.db2.gz VAKUYVRDYZRRMP-JTQLQIEISA-N 1 2 238.335 0.907 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)CC1(C)C ZINC000759001123 585363391 /nfs/dbraw/zinc/36/33/91/585363391.db2.gz VAKUYVRDYZRRMP-JTQLQIEISA-N 1 2 238.335 0.907 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1(C)OCCO1)C1CC1 ZINC000759021531 585363727 /nfs/dbraw/zinc/36/37/27/585363727.db2.gz XMCMQFZOQPGFEN-SNVBAGLBSA-N 1 2 243.303 0.681 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](CO)C1 ZINC000759709431 585379119 /nfs/dbraw/zinc/37/91/19/585379119.db2.gz QHJKRJXUPHNQPV-SNVBAGLBSA-N 1 2 245.282 0.789 20 0 BCADLO COCc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=O)o1 ZINC000759725971 585379680 /nfs/dbraw/zinc/37/96/80/585379680.db2.gz JVRXTPDPTAFJPT-VIFPVBQESA-N 1 2 243.307 0.917 20 0 BCADLO COCc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=O)o1 ZINC000759725971 585379681 /nfs/dbraw/zinc/37/96/81/585379681.db2.gz JVRXTPDPTAFJPT-VIFPVBQESA-N 1 2 243.307 0.917 20 0 BCADLO C[C@H](OC(=O)CCc1ccc(N)[nH+]c1)C(N)=O ZINC000759807168 585380740 /nfs/dbraw/zinc/38/07/40/585380740.db2.gz AZYHIMSPUJVLHO-ZETCQYMHSA-N 1 2 237.259 0.013 20 0 BCADLO COC(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000759816475 585380928 /nfs/dbraw/zinc/38/09/28/585380928.db2.gz YTDIYGKNAMHPIW-UHFFFAOYSA-N 1 2 238.243 0.313 20 0 BCADLO C[NH+]1CCN(C(=O)C2SCCS2)CC1 ZINC000760212483 585386717 /nfs/dbraw/zinc/38/67/17/585386717.db2.gz WKFZKYCKPNTIMM-UHFFFAOYSA-N 1 2 232.374 0.567 20 0 BCADLO CCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000760296599 585389469 /nfs/dbraw/zinc/38/94/69/585389469.db2.gz JYONOIKCSLYHLW-ZJUUUORDSA-N 1 2 243.376 0.286 20 0 BCADLO CCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000760296599 585389470 /nfs/dbraw/zinc/38/94/70/585389470.db2.gz JYONOIKCSLYHLW-ZJUUUORDSA-N 1 2 243.376 0.286 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761071972 585405303 /nfs/dbraw/zinc/40/53/03/585405303.db2.gz CQQWUUSTRREZRG-MNOVXSKESA-N 1 2 227.352 0.537 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761071972 585405304 /nfs/dbraw/zinc/40/53/04/585405304.db2.gz CQQWUUSTRREZRG-MNOVXSKESA-N 1 2 227.352 0.537 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761071970 585405333 /nfs/dbraw/zinc/40/53/33/585405333.db2.gz CQQWUUSTRREZRG-GHMZBOCLSA-N 1 2 227.352 0.537 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761071970 585405334 /nfs/dbraw/zinc/40/53/34/585405334.db2.gz CQQWUUSTRREZRG-GHMZBOCLSA-N 1 2 227.352 0.537 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000761074168 585405474 /nfs/dbraw/zinc/40/54/74/585405474.db2.gz AYUCVKJENDWYPL-SNVBAGLBSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000761074168 585405475 /nfs/dbraw/zinc/40/54/75/585405475.db2.gz AYUCVKJENDWYPL-SNVBAGLBSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000761084146 585407171 /nfs/dbraw/zinc/40/71/71/585407171.db2.gz YCDNVSPKLCITMW-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000761084146 585407172 /nfs/dbraw/zinc/40/71/72/585407172.db2.gz YCDNVSPKLCITMW-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000761215613 585412566 /nfs/dbraw/zinc/41/25/66/585412566.db2.gz HAVUPJZDMLDJFI-SECBINFHSA-N 1 2 235.243 0.016 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000761215613 585412567 /nfs/dbraw/zinc/41/25/67/585412567.db2.gz HAVUPJZDMLDJFI-SECBINFHSA-N 1 2 235.243 0.016 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)N[C@@H](CC2CC2)C1=O ZINC000761233033 585412765 /nfs/dbraw/zinc/41/27/65/585412765.db2.gz POFLWRORCYJIAR-VIFPVBQESA-N 1 2 248.286 0.641 20 0 BCADLO CC1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000761430246 585415546 /nfs/dbraw/zinc/41/55/46/585415546.db2.gz BHSVROYYOSRAET-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(C)c1=O ZINC000762138932 585427679 /nfs/dbraw/zinc/42/76/79/585427679.db2.gz OCNFHDDFZYTUIT-JTQLQIEISA-N 1 2 236.319 0.804 20 0 BCADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ncn(C)c1=O ZINC000762138932 585427680 /nfs/dbraw/zinc/42/76/80/585427680.db2.gz OCNFHDDFZYTUIT-JTQLQIEISA-N 1 2 236.319 0.804 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2cnsn2)n1 ZINC000762412354 585431767 /nfs/dbraw/zinc/43/17/67/585431767.db2.gz WTRIVDXNSAJTFQ-UHFFFAOYSA-N 1 2 248.271 0.912 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@]1(CO)CCOC1 ZINC000763888112 585456226 /nfs/dbraw/zinc/45/62/26/585456226.db2.gz GBDSDZQUHUYFPI-JQWIXIFHSA-N 1 2 245.319 0.411 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763888112 585456227 /nfs/dbraw/zinc/45/62/27/585456227.db2.gz GBDSDZQUHUYFPI-JQWIXIFHSA-N 1 2 245.319 0.411 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H]1COC(=O)O1 ZINC000763983058 585458202 /nfs/dbraw/zinc/45/82/02/585458202.db2.gz SSNYLQPROBQCID-DTWKUNHWSA-N 1 2 243.259 0.549 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@H]1COC(=O)O1 ZINC000763983058 585458203 /nfs/dbraw/zinc/45/82/03/585458203.db2.gz SSNYLQPROBQCID-DTWKUNHWSA-N 1 2 243.259 0.549 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@]12CCOC2 ZINC000764784868 585473369 /nfs/dbraw/zinc/47/33/69/585473369.db2.gz UAYLZEWXBPHJAU-PWSUYJOCSA-N 1 2 236.271 0.890 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000764832213 585475235 /nfs/dbraw/zinc/47/52/35/585475235.db2.gz QXDBROGVDXVJKE-SECBINFHSA-N 1 2 225.292 0.406 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ncccn1 ZINC000764896630 585477370 /nfs/dbraw/zinc/47/73/70/585477370.db2.gz DIGMEMCWUCSLLR-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ncccn1 ZINC000764896630 585477371 /nfs/dbraw/zinc/47/73/71/585477371.db2.gz DIGMEMCWUCSLLR-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)C(C)(C)C ZINC000765128948 585481597 /nfs/dbraw/zinc/48/15/97/585481597.db2.gz FSCUXROGXBXMFE-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO Cn1cnnc1NC(=O)c1cccc2[nH+]ccn21 ZINC000766004116 585495667 /nfs/dbraw/zinc/49/56/67/585495667.db2.gz WQQSABILPJZTCI-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO C[N@@H+]1CCN(CCS(C)(=O)=O)C(C)(C)C1 ZINC000766998962 585512549 /nfs/dbraw/zinc/51/25/49/585512549.db2.gz JYMHTNAQEVXUBL-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO C[N@H+]1CCN(CCS(C)(=O)=O)C(C)(C)C1 ZINC000766998962 585512550 /nfs/dbraw/zinc/51/25/50/585512550.db2.gz JYMHTNAQEVXUBL-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO CN1CC[N@H+](CCS(C)(=O)=O)C(C)(C)C1 ZINC000766998962 585512551 /nfs/dbraw/zinc/51/25/51/585512551.db2.gz JYMHTNAQEVXUBL-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO CN1CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C1 ZINC000766998962 585512552 /nfs/dbraw/zinc/51/25/52/585512552.db2.gz JYMHTNAQEVXUBL-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO C[N@H+](CCC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000767361423 585517914 /nfs/dbraw/zinc/51/79/14/585517914.db2.gz MIKHULJHFNHMPH-SNVBAGLBSA-N 1 2 245.344 0.475 20 0 BCADLO C[N@@H+](CCC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000767361423 585517915 /nfs/dbraw/zinc/51/79/15/585517915.db2.gz MIKHULJHFNHMPH-SNVBAGLBSA-N 1 2 245.344 0.475 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767516076 585521824 /nfs/dbraw/zinc/52/18/24/585521824.db2.gz ZMEUSXFIEGQPSV-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767516076 585521825 /nfs/dbraw/zinc/52/18/25/585521825.db2.gz ZMEUSXFIEGQPSV-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO FCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000767689697 585524733 /nfs/dbraw/zinc/52/47/33/585524733.db2.gz SDXHDOJLLYXAKY-UHFFFAOYSA-N 1 2 249.355 0.142 20 0 BCADLO Cc1cc(NC(=O)NCC[S@@](C)=O)cc[nH+]1 ZINC000767892716 585527208 /nfs/dbraw/zinc/52/72/08/585527208.db2.gz GVFHMAMYVGKAIQ-MRXNPFEDSA-N 1 2 241.316 0.312 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000768765939 585542820 /nfs/dbraw/zinc/54/28/20/585542820.db2.gz WSMRWICYLNVQIM-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000768765939 585542821 /nfs/dbraw/zinc/54/28/21/585542821.db2.gz WSMRWICYLNVQIM-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000768765939 585542822 /nfs/dbraw/zinc/54/28/22/585542822.db2.gz WSMRWICYLNVQIM-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768765939 585542823 /nfs/dbraw/zinc/54/28/23/585542823.db2.gz WSMRWICYLNVQIM-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC000768812408 585543904 /nfs/dbraw/zinc/54/39/04/585543904.db2.gz IUGRQYHYWCGITA-KOLCDFICSA-N 1 2 245.282 0.787 20 0 BCADLO C[C@](CO)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000768874669 585545146 /nfs/dbraw/zinc/54/51/46/585545146.db2.gz KHCLFLUZBPFKEM-LLVKDONJSA-N 1 2 223.276 0.160 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]O[C@@H]1CCNC1=O ZINC000768936129 585546529 /nfs/dbraw/zinc/54/65/29/585546529.db2.gz ZYJPNPFONMSQSN-SSDOTTSWSA-N 1 2 229.280 0.188 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147125 585550095 /nfs/dbraw/zinc/55/00/95/585550095.db2.gz UXYUFXRFGNOCRI-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147125 585550096 /nfs/dbraw/zinc/55/00/96/585550096.db2.gz UXYUFXRFGNOCRI-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO CCCNC(=S)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769793270 585563498 /nfs/dbraw/zinc/56/34/98/585563498.db2.gz LUYMQVSYNSETMU-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO CCCNC(=S)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769793270 585563499 /nfs/dbraw/zinc/56/34/99/585563499.db2.gz LUYMQVSYNSETMU-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769791130 585563526 /nfs/dbraw/zinc/56/35/26/585563526.db2.gz FTCISXQHEQKWFD-DTWKUNHWSA-N 1 2 231.365 0.190 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769791130 585563527 /nfs/dbraw/zinc/56/35/27/585563527.db2.gz FTCISXQHEQKWFD-DTWKUNHWSA-N 1 2 231.365 0.190 20 0 BCADLO CC(C)NC(=S)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769792580 585563661 /nfs/dbraw/zinc/56/36/61/585563661.db2.gz KIHOKICVBVAEAQ-ZJUUUORDSA-N 1 2 245.392 0.578 20 0 BCADLO CC(C)NC(=S)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769792580 585563662 /nfs/dbraw/zinc/56/36/62/585563662.db2.gz KIHOKICVBVAEAQ-ZJUUUORDSA-N 1 2 245.392 0.578 20 0 BCADLO C[C@@H](NC(=S)NC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000769791760 585563734 /nfs/dbraw/zinc/56/37/34/585563734.db2.gz HXMLCCOXZULJGT-PSASIEDQSA-N 1 2 243.376 0.332 20 0 BCADLO C[C@@H](NC(=S)NC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000769791760 585563735 /nfs/dbraw/zinc/56/37/35/585563735.db2.gz HXMLCCOXZULJGT-PSASIEDQSA-N 1 2 243.376 0.332 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CCCOC1 ZINC000769878019 585565943 /nfs/dbraw/zinc/56/59/43/585565943.db2.gz OCMYCUFLOFLDHV-DTWKUNHWSA-N 1 2 216.281 0.946 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+](C)CCc2cnccn2)C1 ZINC000770662058 585579350 /nfs/dbraw/zinc/57/93/50/585579350.db2.gz OSTHWYKBCDNHMI-NSHDSACASA-N 1 2 248.330 0.777 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+](C)CCc2cnccn2)C1 ZINC000770662058 585579351 /nfs/dbraw/zinc/57/93/51/585579351.db2.gz OSTHWYKBCDNHMI-NSHDSACASA-N 1 2 248.330 0.777 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)CC(C)C)c[nH+]1 ZINC000771048401 585588652 /nfs/dbraw/zinc/58/86/52/585588652.db2.gz GFWHUCCLKYTFFH-VIFPVBQESA-N 1 2 225.292 0.855 20 0 BCADLO C/C=C(\C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771563288 585596135 /nfs/dbraw/zinc/59/61/35/585596135.db2.gz WCNOQVYMLYQJRZ-JPOQUURFSA-N 1 2 238.331 0.886 20 0 BCADLO O=C(NCc1cc[nH]n1)c1cccc2[nH+]ccn21 ZINC000771833696 585601706 /nfs/dbraw/zinc/60/17/06/585601706.db2.gz RZKRDUMXIJHJBN-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CO[C@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000771937964 585605058 /nfs/dbraw/zinc/60/50/58/585605058.db2.gz MVSGFXSLADBMBV-SECBINFHSA-N 1 2 212.249 0.851 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCCn1ccnc1 ZINC000771978804 585606148 /nfs/dbraw/zinc/60/61/48/585606148.db2.gz PBQZJSHCEBGZSQ-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCCn1ccnc1 ZINC000771978804 585606149 /nfs/dbraw/zinc/60/61/49/585606149.db2.gz PBQZJSHCEBGZSQ-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO COc1cc(C(=O)OCCn2cc[nH+]c2)on1 ZINC000772335023 585612853 /nfs/dbraw/zinc/61/28/53/585612853.db2.gz VXGBODOUOUDJLR-UHFFFAOYSA-N 1 2 237.215 0.737 20 0 BCADLO CCCN(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000772608978 585618920 /nfs/dbraw/zinc/61/89/20/585618920.db2.gz PENXHCZDWGELST-UHFFFAOYSA-N 1 2 243.351 0.712 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H](C)OC)C1 ZINC000805468236 585620154 /nfs/dbraw/zinc/62/01/54/585620154.db2.gz FQUYOLMHJYTCCI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H](C)OC)C1 ZINC000805468236 585620155 /nfs/dbraw/zinc/62/01/55/585620155.db2.gz FQUYOLMHJYTCCI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCF)C1 ZINC000805469289 585621366 /nfs/dbraw/zinc/62/13/66/585621366.db2.gz KTXXHURUKLKECJ-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC[C@@H](C)O)C1 ZINC000805472172 585624461 /nfs/dbraw/zinc/62/44/61/585624461.db2.gz DYXKSNAVWRPOSR-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC[C@@H](C)O)C1 ZINC000805472172 585624462 /nfs/dbraw/zinc/62/44/62/585624462.db2.gz DYXKSNAVWRPOSR-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000773501800 585638583 /nfs/dbraw/zinc/63/85/83/585638583.db2.gz VRUXDNIVYNIMTP-UHFFFAOYSA-N 1 2 236.275 0.220 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000773501800 585638584 /nfs/dbraw/zinc/63/85/84/585638584.db2.gz VRUXDNIVYNIMTP-UHFFFAOYSA-N 1 2 236.275 0.220 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C=O)[nH]1 ZINC000773826817 585644659 /nfs/dbraw/zinc/64/46/59/585644659.db2.gz OCPVNIPXHVJZJL-UHFFFAOYSA-N 1 2 246.270 0.533 20 0 BCADLO CC(C)C1(O)C[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000773894804 585645773 /nfs/dbraw/zinc/64/57/73/585645773.db2.gz BDJPAXTYEOZTBU-LBPRGKRZSA-N 1 2 248.326 0.916 20 0 BCADLO CC(C)C1(O)C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC000773893718 585645793 /nfs/dbraw/zinc/64/57/93/585645793.db2.gz PFZVMKJGWQTNKM-SNVBAGLBSA-N 1 2 226.320 0.310 20 0 BCADLO COC/C=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000774021958 585648645 /nfs/dbraw/zinc/64/86/45/585648645.db2.gz XSPJSVCOISFYDO-ARJAWSKDSA-N 1 2 209.249 0.537 20 0 BCADLO COCC(COC)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774197659 585653319 /nfs/dbraw/zinc/65/33/19/585653319.db2.gz DQFRCAGBASVADZ-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO COCC(COC)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774197659 585653320 /nfs/dbraw/zinc/65/33/20/585653320.db2.gz DQFRCAGBASVADZ-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000774759077 585665332 /nfs/dbraw/zinc/66/53/32/585665332.db2.gz GCSDZCOAOUTVQT-SNVBAGLBSA-N 1 2 228.292 0.117 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000774759077 585665333 /nfs/dbraw/zinc/66/53/33/585665333.db2.gz GCSDZCOAOUTVQT-SNVBAGLBSA-N 1 2 228.292 0.117 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCC=CO2)CCN1C1CC1 ZINC000774884349 585668622 /nfs/dbraw/zinc/66/86/22/585668622.db2.gz KTFHRQUFLAABNO-LBPRGKRZSA-N 1 2 236.315 0.986 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCC=CO2)CCN1C1CC1 ZINC000774884349 585668623 /nfs/dbraw/zinc/66/86/23/585668623.db2.gz KTFHRQUFLAABNO-LBPRGKRZSA-N 1 2 236.315 0.986 20 0 BCADLO C[C@@H](C(=O)OCCCCO)[NH+]1CCSCC1 ZINC000774981543 585670143 /nfs/dbraw/zinc/67/01/43/585670143.db2.gz QIEDLXPHDFAQAC-JTQLQIEISA-N 1 2 247.360 0.739 20 0 BCADLO CS(=O)(=O)c1nccn1CC[NH+]1CCCC1 ZINC000776432757 585698842 /nfs/dbraw/zinc/69/88/42/585698842.db2.gz ASUAKOSVLJTWIJ-UHFFFAOYSA-N 1 2 243.332 0.382 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000776597051 585702152 /nfs/dbraw/zinc/70/21/52/585702152.db2.gz FEFSANFIIYIPPY-NXEZZACHSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000776597051 585702153 /nfs/dbraw/zinc/70/21/53/585702153.db2.gz FEFSANFIIYIPPY-NXEZZACHSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000776593081 585702282 /nfs/dbraw/zinc/70/22/82/585702282.db2.gz VUGGOBAQXUVHGI-NSHDSACASA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000776593081 585702283 /nfs/dbraw/zinc/70/22/83/585702283.db2.gz VUGGOBAQXUVHGI-NSHDSACASA-N 1 2 229.320 0.888 20 0 BCADLO CC[C@H]1C[N@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000776759382 585704053 /nfs/dbraw/zinc/70/40/53/585704053.db2.gz MTCXUYFULYUJKM-UWVGGRQHSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@H]1C[N@@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000776759382 585704054 /nfs/dbraw/zinc/70/40/54/585704054.db2.gz MTCXUYFULYUJKM-UWVGGRQHSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000776759383 585704069 /nfs/dbraw/zinc/70/40/69/585704069.db2.gz MTCXUYFULYUJKM-VHSXEESVSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000776759383 585704070 /nfs/dbraw/zinc/70/40/70/585704070.db2.gz MTCXUYFULYUJKM-VHSXEESVSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000776773690 585705031 /nfs/dbraw/zinc/70/50/31/585705031.db2.gz UYOCPKCVWLIZHU-JQWIXIFHSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000776773690 585705032 /nfs/dbraw/zinc/70/50/32/585705032.db2.gz UYOCPKCVWLIZHU-JQWIXIFHSA-N 1 2 238.331 0.923 20 0 BCADLO S=C1OCCN1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776772670 585705055 /nfs/dbraw/zinc/70/50/55/585705055.db2.gz OAXZXRPBSQHBOA-JTQLQIEISA-N 1 2 242.344 0.672 20 0 BCADLO S=C1OCCN1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776772670 585705056 /nfs/dbraw/zinc/70/50/56/585705056.db2.gz OAXZXRPBSQHBOA-JTQLQIEISA-N 1 2 242.344 0.672 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776800334 585705825 /nfs/dbraw/zinc/70/58/25/585705825.db2.gz MFIKSOYIUCKARH-JTQLQIEISA-N 1 2 213.277 0.470 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776800334 585705826 /nfs/dbraw/zinc/70/58/26/585705826.db2.gz MFIKSOYIUCKARH-JTQLQIEISA-N 1 2 213.277 0.470 20 0 BCADLO C[C@](O)(C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000805576500 585706921 /nfs/dbraw/zinc/70/69/21/585706921.db2.gz ADQINLWNIILMHW-GFCCVEGCSA-N 1 2 236.271 0.868 20 0 BCADLO C[C@H](CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC000777013090 585707391 /nfs/dbraw/zinc/70/73/91/585707391.db2.gz STTZTUHEQHXKJR-MRVPVSSYSA-N 1 2 246.270 0.328 20 0 BCADLO CCOCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000777055856 585707743 /nfs/dbraw/zinc/70/77/43/585707743.db2.gz LIOIWMMHDHHQBA-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCOCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000777055856 585707744 /nfs/dbraw/zinc/70/77/44/585707744.db2.gz LIOIWMMHDHHQBA-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO COC(=O)C1([N@H+](C)CC2OCCO2)CCCC1 ZINC000777623032 585717225 /nfs/dbraw/zinc/71/72/25/585717225.db2.gz XMDWLRGHYGKKSD-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO COC(=O)C1([N@@H+](C)CC2OCCO2)CCCC1 ZINC000777623032 585717226 /nfs/dbraw/zinc/71/72/26/585717226.db2.gz XMDWLRGHYGKKSD-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO C[C@@H]1CC[N@H+](CCS(C)(=O)=O)C[C@H]1F ZINC000778237550 585728969 /nfs/dbraw/zinc/72/89/69/585728969.db2.gz QHWZNOQQWHHCIE-RKDXNWHRSA-N 1 2 223.313 0.711 20 0 BCADLO C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@H]1F ZINC000778237550 585728970 /nfs/dbraw/zinc/72/89/70/585728970.db2.gz QHWZNOQQWHHCIE-RKDXNWHRSA-N 1 2 223.313 0.711 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2CC1OCCO1 ZINC000778246454 585729417 /nfs/dbraw/zinc/72/94/17/585729417.db2.gz JQTBXXOBJHVXQU-NSHDSACASA-N 1 2 227.260 0.141 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2CC1OCCO1 ZINC000778246454 585729418 /nfs/dbraw/zinc/72/94/18/585729418.db2.gz JQTBXXOBJHVXQU-NSHDSACASA-N 1 2 227.260 0.141 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000778241968 585729440 /nfs/dbraw/zinc/72/94/40/585729440.db2.gz JAARVSIUGQHREC-SNVBAGLBSA-N 1 2 230.308 0.363 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000778241968 585729441 /nfs/dbraw/zinc/72/94/41/585729441.db2.gz JAARVSIUGQHREC-SNVBAGLBSA-N 1 2 230.308 0.363 20 0 BCADLO Cn1ccnc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000778253149 585729906 /nfs/dbraw/zinc/72/99/06/585729906.db2.gz OXRGAINOJCXWDJ-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CC(C)OCC(N)=[NH+]OCc1ccn(C)n1 ZINC000778591719 585737695 /nfs/dbraw/zinc/73/76/95/585737695.db2.gz BMLKEIATVWRJLJ-UHFFFAOYSA-N 1 2 226.280 0.844 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1CO ZINC000779029391 585744468 /nfs/dbraw/zinc/74/44/68/585744468.db2.gz FBIMBZJEXFPASZ-JTQLQIEISA-N 1 2 245.282 0.931 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779216255 585747604 /nfs/dbraw/zinc/74/76/04/585747604.db2.gz QOHPXQODERBMNP-SECBINFHSA-N 1 2 249.314 0.929 20 0 BCADLO O=C(C=Cc1cncc(O)c1)NCc1c[nH+]c[nH]1 ZINC000779666336 585758686 /nfs/dbraw/zinc/75/86/86/585758686.db2.gz RTRUNEAJOBEYMG-OWOJBTEDSA-N 1 2 244.254 0.840 20 0 BCADLO O=C(C=Cc1cncc(O)c1)NCc1c[nH]c[nH+]1 ZINC000779666336 585758687 /nfs/dbraw/zinc/75/86/87/585758687.db2.gz RTRUNEAJOBEYMG-OWOJBTEDSA-N 1 2 244.254 0.840 20 0 BCADLO CC[C@H](CO)C(=O)Nc1cc[nH+]cc1C ZINC000779769386 585761979 /nfs/dbraw/zinc/76/19/79/585761979.db2.gz QZYJHFYAUKLVNL-SECBINFHSA-N 1 2 208.261 0.769 20 0 BCADLO Nc1cccnc1C(=O)OCCn1cc[nH+]c1 ZINC000780074498 585772201 /nfs/dbraw/zinc/77/22/01/585772201.db2.gz LKJAJQFBOCNBGR-UHFFFAOYSA-N 1 2 232.243 0.717 20 0 BCADLO Cc1noc([C@H](C)O[NH+]=C(N)CCO)n1 ZINC000780127930 585772726 /nfs/dbraw/zinc/77/27/26/585772726.db2.gz QITUFXLRSYISCF-YFKPBYRVSA-N 1 2 214.225 0.320 20 0 BCADLO Cn1cccc1C(=O)C(=O)OCCn1cc[nH+]c1 ZINC000805653374 585778346 /nfs/dbraw/zinc/77/83/46/585778346.db2.gz SNHHDCRUKANGAR-UHFFFAOYSA-N 1 2 247.254 0.648 20 0 BCADLO CN(C)c1nccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000781341001 585794703 /nfs/dbraw/zinc/79/47/03/585794703.db2.gz IDLVAXWXDRJJBN-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccno2)CC1 ZINC000781561353 585798660 /nfs/dbraw/zinc/79/86/60/585798660.db2.gz NVMLMZWNBFDJQV-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccno2)CC1 ZINC000781561353 585798661 /nfs/dbraw/zinc/79/86/61/585798661.db2.gz NVMLMZWNBFDJQV-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO COC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000781735314 585802524 /nfs/dbraw/zinc/80/25/24/585802524.db2.gz FULVYHZMPRRVEN-UHFFFAOYSA-N 1 2 224.260 0.995 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C)OC ZINC000781892878 585804940 /nfs/dbraw/zinc/80/49/40/585804940.db2.gz AKSUVVPMWHPNNO-XWRVAKJBSA-N 1 2 235.349 0.447 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C)OC ZINC000781892878 585804941 /nfs/dbraw/zinc/80/49/41/585804941.db2.gz AKSUVVPMWHPNNO-XWRVAKJBSA-N 1 2 235.349 0.447 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC(OC)OC ZINC000781917946 585805476 /nfs/dbraw/zinc/80/54/76/585805476.db2.gz NZXGUVSKUFSTEL-VHSXEESVSA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC(OC)OC ZINC000781917946 585805477 /nfs/dbraw/zinc/80/54/77/585805477.db2.gz NZXGUVSKUFSTEL-VHSXEESVSA-N 1 2 245.319 0.879 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1OCCO1 ZINC000781943891 585805823 /nfs/dbraw/zinc/80/58/23/585805823.db2.gz GTAKTDFVOMWZNJ-QMMMGPOBSA-N 1 2 237.246 0.451 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1OCCO1 ZINC000781943891 585805824 /nfs/dbraw/zinc/80/58/24/585805824.db2.gz GTAKTDFVOMWZNJ-QMMMGPOBSA-N 1 2 237.246 0.451 20 0 BCADLO C[C@H](C1CC1)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000782194093 585812054 /nfs/dbraw/zinc/81/20/54/585812054.db2.gz KMBKATYEYUOGQF-SSDOTTSWSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@H](C1CC1)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000782194093 585812055 /nfs/dbraw/zinc/81/20/55/585812055.db2.gz KMBKATYEYUOGQF-SSDOTTSWSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@H](C1CC1)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000782194093 585812056 /nfs/dbraw/zinc/81/20/56/585812056.db2.gz KMBKATYEYUOGQF-SSDOTTSWSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@H](C1CC1)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000782194093 585812057 /nfs/dbraw/zinc/81/20/57/585812057.db2.gz KMBKATYEYUOGQF-SSDOTTSWSA-N 1 2 208.265 0.598 20 0 BCADLO O=C(Cn1cccn1)OCCCn1cc[nH+]c1 ZINC000782220650 585812438 /nfs/dbraw/zinc/81/24/38/585812438.db2.gz WJGFHHTYWIYJLL-UHFFFAOYSA-N 1 2 234.259 0.713 20 0 BCADLO COCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782265933 585812713 /nfs/dbraw/zinc/81/27/13/585812713.db2.gz JEEXFDCVOOBQFT-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](O)C1CC1 ZINC000782270662 585813390 /nfs/dbraw/zinc/81/33/90/585813390.db2.gz XGBRXOBWFNKOIS-MWLCHTKSSA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CC=CCC2)C1 ZINC000782275028 585813718 /nfs/dbraw/zinc/81/37/18/585813718.db2.gz CQCVVIMNAFFPAE-JTQLQIEISA-N 1 2 238.287 0.227 20 0 BCADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CC=CCC2)C1 ZINC000782275028 585813719 /nfs/dbraw/zinc/81/37/19/585813719.db2.gz CQCVVIMNAFFPAE-JTQLQIEISA-N 1 2 238.287 0.227 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCOC[C@@H]1CCCO1 ZINC000782336828 585815581 /nfs/dbraw/zinc/81/55/81/585815581.db2.gz GDVOFIXXAIHRGR-ZJUUUORDSA-N 1 2 246.307 0.715 20 0 BCADLO Cc1nc(N2CC(=O)N(C)C[C@H]2C)cc[nH+]1 ZINC000782399129 585817320 /nfs/dbraw/zinc/81/73/20/585817320.db2.gz LJTMCHQPSDTPJL-MRVPVSSYSA-N 1 2 220.276 0.452 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[C@]2(CO)C1 ZINC000782405664 585817711 /nfs/dbraw/zinc/81/77/11/585817711.db2.gz IAWFSHHLVNXIGR-QPUJVOFHSA-N 1 2 245.286 0.182 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC1OCCO1)CC2 ZINC000782517184 585819480 /nfs/dbraw/zinc/81/94/80/585819480.db2.gz YDVPEGJECYPZMX-UHFFFAOYSA-N 1 2 223.276 0.380 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccnc1 ZINC000782583325 585820392 /nfs/dbraw/zinc/82/03/92/585820392.db2.gz CVARMCHLRRECDK-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccnc1 ZINC000782583325 585820393 /nfs/dbraw/zinc/82/03/93/585820393.db2.gz CVARMCHLRRECDK-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO CCOC(C[N@@H+]1CC(=O)N(C)C[C@H]1C)OCC ZINC000782586852 585821006 /nfs/dbraw/zinc/82/10/06/585821006.db2.gz WDWCVURIVCZNND-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@H+]1CC(=O)N(C)C[C@H]1C)OCC ZINC000782586852 585821007 /nfs/dbraw/zinc/82/10/07/585821007.db2.gz WDWCVURIVCZNND-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000782593049 585821256 /nfs/dbraw/zinc/82/12/56/585821256.db2.gz BTHYRXUYFPJXMR-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000782593049 585821257 /nfs/dbraw/zinc/82/12/57/585821257.db2.gz BTHYRXUYFPJXMR-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000782616287 585822427 /nfs/dbraw/zinc/82/24/27/585822427.db2.gz AUBDPWANQWDCGH-WCBMZHEXSA-N 1 2 225.317 0.661 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000782616287 585822428 /nfs/dbraw/zinc/82/24/28/585822428.db2.gz AUBDPWANQWDCGH-WCBMZHEXSA-N 1 2 225.317 0.661 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782617406 585822533 /nfs/dbraw/zinc/82/25/33/585822533.db2.gz OUEIVDMHEKCIDC-NMLBEHRDSA-N 1 2 223.276 0.753 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782617406 585822534 /nfs/dbraw/zinc/82/25/34/585822534.db2.gz OUEIVDMHEKCIDC-NMLBEHRDSA-N 1 2 223.276 0.753 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000782628527 585823239 /nfs/dbraw/zinc/82/32/39/585823239.db2.gz OOWYYAGGIKPBIV-BBBLOLIVSA-N 1 2 235.349 0.529 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000782628527 585823240 /nfs/dbraw/zinc/82/32/40/585823240.db2.gz OOWYYAGGIKPBIV-BBBLOLIVSA-N 1 2 235.349 0.529 20 0 BCADLO c1nc2c(s1)C[N@H+](Cn1cnnc1)CC2 ZINC000783547103 585836494 /nfs/dbraw/zinc/83/64/94/585836494.db2.gz OGDXEOMADULHMU-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO c1nc2c(s1)C[N@@H+](Cn1cnnc1)CC2 ZINC000783547103 585836495 /nfs/dbraw/zinc/83/64/95/585836495.db2.gz OGDXEOMADULHMU-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO COC[C@@H](C)CN1CC[NH+](CCCCO)CC1 ZINC000783564153 585836942 /nfs/dbraw/zinc/83/69/42/585836942.db2.gz BRKMICAVCWVRTJ-ZDUSSCGKSA-N 1 2 244.379 0.659 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783735107 585841157 /nfs/dbraw/zinc/84/11/57/585841157.db2.gz YWMHJBRZLFICEP-QMMMGPOBSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783735107 585841158 /nfs/dbraw/zinc/84/11/58/585841158.db2.gz YWMHJBRZLFICEP-QMMMGPOBSA-N 1 2 222.292 0.381 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccn1C ZINC000783733873 585841360 /nfs/dbraw/zinc/84/13/60/585841360.db2.gz PCTRTEWTDKEWCX-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccn1C ZINC000783733873 585841361 /nfs/dbraw/zinc/84/13/61/585841361.db2.gz PCTRTEWTDKEWCX-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783738981 585841469 /nfs/dbraw/zinc/84/14/69/585841469.db2.gz DPQGJOKXZVTCRR-MNOVXSKESA-N 1 2 207.277 0.532 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783738981 585841470 /nfs/dbraw/zinc/84/14/70/585841470.db2.gz DPQGJOKXZVTCRR-MNOVXSKESA-N 1 2 207.277 0.532 20 0 BCADLO Cc1c(C(=O)OCCCn2cc[nH+]c2)nnn1C ZINC000783856298 585844776 /nfs/dbraw/zinc/84/47/76/585844776.db2.gz SZXUFDDORBQZFT-UHFFFAOYSA-N 1 2 249.274 0.567 20 0 BCADLO CON(C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783976074 585846531 /nfs/dbraw/zinc/84/65/31/585846531.db2.gz TYFHKUAOSNGRPP-VIFPVBQESA-N 1 2 238.291 0.187 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000784355083 585856643 /nfs/dbraw/zinc/85/66/43/585856643.db2.gz YTKHUYPHVVACJY-QWRGUYRKSA-N 1 2 246.326 0.817 20 0 BCADLO COC[C@@H]1C[N@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000784370488 585857565 /nfs/dbraw/zinc/85/75/65/585857565.db2.gz UPROCXYOEUKWNF-ZJUUUORDSA-N 1 2 231.292 0.095 20 0 BCADLO COC[C@@H]1C[N@@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000784370488 585857566 /nfs/dbraw/zinc/85/75/66/585857566.db2.gz UPROCXYOEUKWNF-ZJUUUORDSA-N 1 2 231.292 0.095 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)C1CC(=O)C1 ZINC000784446479 585860130 /nfs/dbraw/zinc/86/01/30/585860130.db2.gz GPACKSQJWHRTIS-UHFFFAOYSA-N 1 2 222.244 0.796 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1ccncn1 ZINC000784829117 585866389 /nfs/dbraw/zinc/86/63/89/585866389.db2.gz JUUJHYSLNKWZHE-UHFFFAOYSA-N 1 2 232.243 0.920 20 0 BCADLO COCC[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500780 585875057 /nfs/dbraw/zinc/87/50/57/585875057.db2.gz QUTZKHKGOXPRSL-UHFFFAOYSA-N 1 2 235.287 0.573 20 0 BCADLO COCC[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500780 585875058 /nfs/dbraw/zinc/87/50/58/585875058.db2.gz QUTZKHKGOXPRSL-UHFFFAOYSA-N 1 2 235.287 0.573 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccnc1OC ZINC000785658504 585877261 /nfs/dbraw/zinc/87/72/61/585877261.db2.gz IJGAMFZZHQDREY-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccnc1OC ZINC000785658504 585877262 /nfs/dbraw/zinc/87/72/62/585877262.db2.gz IJGAMFZZHQDREY-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785737772 585879360 /nfs/dbraw/zinc/87/93/60/585879360.db2.gz ZHGYQYMFUNSZCK-DTORHVGOSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785737772 585879361 /nfs/dbraw/zinc/87/93/61/585879361.db2.gz ZHGYQYMFUNSZCK-DTORHVGOSA-N 1 2 213.277 0.991 20 0 BCADLO CCn1ncnc1C[NH2+]C1(C(N)=O)CCCC1 ZINC000785754376 585879759 /nfs/dbraw/zinc/87/97/59/585879759.db2.gz ATLVXGYFZWHMCR-UHFFFAOYSA-N 1 2 237.307 0.186 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1cnn(C)n1 ZINC000786034756 585885735 /nfs/dbraw/zinc/88/57/35/585885735.db2.gz YJEMQHXCBWZPLE-UHFFFAOYSA-N 1 2 233.231 0.471 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cnn(C)n1 ZINC000786120969 585887770 /nfs/dbraw/zinc/88/77/70/585887770.db2.gz DYPJPJYQBSDFBJ-UHFFFAOYSA-N 1 2 217.232 0.193 20 0 BCADLO O=C(NC1=NCCS1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000786733989 585896761 /nfs/dbraw/zinc/89/67/61/585896761.db2.gz DILUXVYGCFVJFD-VIFPVBQESA-N 1 2 239.344 0.832 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCC=CO1 ZINC000787055027 585900263 /nfs/dbraw/zinc/90/02/63/585900263.db2.gz VCFPFKWBPDTWPV-NSHDSACASA-N 1 2 241.287 0.555 20 0 BCADLO Cn1cc(C[N@H+](C)CC[S@](C)=O)cn1 ZINC000787688016 585914146 /nfs/dbraw/zinc/91/41/46/585914146.db2.gz MYMWDFABGLNADG-AWEZNQCLSA-N 1 2 215.322 0.230 20 0 BCADLO Cn1cc(C[N@@H+](C)CC[S@](C)=O)cn1 ZINC000787688016 585914147 /nfs/dbraw/zinc/91/41/47/585914147.db2.gz MYMWDFABGLNADG-AWEZNQCLSA-N 1 2 215.322 0.230 20 0 BCADLO Cc1cccn2cc(COC(=O)CC(N)=O)[nH+]c12 ZINC000787946798 585917733 /nfs/dbraw/zinc/91/77/33/585917733.db2.gz WRSUPFFLGRPMAX-UHFFFAOYSA-N 1 2 247.254 0.561 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)CC1(C)C)OC ZINC000787996158 585918385 /nfs/dbraw/zinc/91/83/85/585918385.db2.gz MFPKBENWUIZNIA-HNNXBMFYSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)CC1(C)C)OC ZINC000787996158 585918386 /nfs/dbraw/zinc/91/83/86/585918386.db2.gz MFPKBENWUIZNIA-HNNXBMFYSA-N 1 2 235.349 0.448 20 0 BCADLO CCCN1CCC[N@H+](CCF)CC1=O ZINC000788280160 585921067 /nfs/dbraw/zinc/92/10/67/585921067.db2.gz WJNZNOQJUFYCRJ-UHFFFAOYSA-N 1 2 202.273 0.900 20 0 BCADLO CCCN1CCC[N@@H+](CCF)CC1=O ZINC000788280160 585921068 /nfs/dbraw/zinc/92/10/68/585921068.db2.gz WJNZNOQJUFYCRJ-UHFFFAOYSA-N 1 2 202.273 0.900 20 0 BCADLO C[N@@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC000788292317 585921102 /nfs/dbraw/zinc/92/11/02/585921102.db2.gz ZFXMNTJRZZLJGP-RQJHMYQMSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC000788292317 585921103 /nfs/dbraw/zinc/92/11/03/585921103.db2.gz ZFXMNTJRZZLJGP-RQJHMYQMSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292317 585921104 /nfs/dbraw/zinc/92/11/04/585921104.db2.gz ZFXMNTJRZZLJGP-RQJHMYQMSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292317 585921105 /nfs/dbraw/zinc/92/11/05/585921105.db2.gz ZFXMNTJRZZLJGP-RQJHMYQMSA-N 1 2 242.216 0.955 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000788649206 585928444 /nfs/dbraw/zinc/92/84/44/585928444.db2.gz RWXYJXSOWAAFDO-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000788649206 585928445 /nfs/dbraw/zinc/92/84/45/585928445.db2.gz RWXYJXSOWAAFDO-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000788923813 585931791 /nfs/dbraw/zinc/93/17/91/585931791.db2.gz RKPXEOSFGFTUDC-CTPBAPBTSA-N 1 2 237.347 0.459 20 0 BCADLO NC(=[NH+]OCc1ncccn1)[C@@H]1CCCO1 ZINC000789606163 585946158 /nfs/dbraw/zinc/94/61/58/585946158.db2.gz HKSBPIMDUWJHJW-QMMMGPOBSA-N 1 2 222.248 0.654 20 0 BCADLO NC(=[NH+]OC[C@H]1CCOC1)[C@H]1CCCO1 ZINC000789607897 585946254 /nfs/dbraw/zinc/94/62/54/585946254.db2.gz JJQWJJHTWQSKDT-DTWKUNHWSA-N 1 2 214.265 0.700 20 0 BCADLO NC(=[NH+]OCC(=O)N1CCCC1)[C@H]1CCCO1 ZINC000789608688 585946433 /nfs/dbraw/zinc/94/64/33/585946433.db2.gz LBQRGXYQBYPXRD-SECBINFHSA-N 1 2 241.291 0.286 20 0 BCADLO CC(C)CNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613907 585946735 /nfs/dbraw/zinc/94/67/35/585946735.db2.gz YMRINNXMGWIUCH-VIFPVBQESA-N 1 2 243.307 0.436 20 0 BCADLO CCCNC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613766 585946772 /nfs/dbraw/zinc/94/67/72/585946772.db2.gz UPNQZLUGVSNSBA-IUCAKERBSA-N 1 2 243.307 0.579 20 0 BCADLO CN1CCC[C@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000789625996 585947166 /nfs/dbraw/zinc/94/71/66/585947166.db2.gz BODDERPXEZDGPB-BDAKNGLRSA-N 1 2 241.291 0.285 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]nc1C1CC1 ZINC000789757852 585949606 /nfs/dbraw/zinc/94/96/06/585949606.db2.gz DAHOMADKBNEWIM-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000790009776 585955871 /nfs/dbraw/zinc/95/58/71/585955871.db2.gz NBMWSVIWQSCGQY-JGVFFNPUSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000790009776 585955872 /nfs/dbraw/zinc/95/58/72/585955872.db2.gz NBMWSVIWQSCGQY-JGVFFNPUSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1c(C[N@H+](C)CN2CCCC2=O)cnn1C ZINC000790421408 585964374 /nfs/dbraw/zinc/96/43/74/585964374.db2.gz MVRMBYWQHIVLCY-UHFFFAOYSA-N 1 2 236.319 0.740 20 0 BCADLO Cc1c(C[N@@H+](C)CN2CCCC2=O)cnn1C ZINC000790421408 585964375 /nfs/dbraw/zinc/96/43/75/585964375.db2.gz MVRMBYWQHIVLCY-UHFFFAOYSA-N 1 2 236.319 0.740 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000790431161 585964712 /nfs/dbraw/zinc/96/47/12/585964712.db2.gz RYPZWEHZXOPEQZ-SNVBAGLBSA-N 1 2 224.308 0.983 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000790431161 585964713 /nfs/dbraw/zinc/96/47/13/585964713.db2.gz RYPZWEHZXOPEQZ-SNVBAGLBSA-N 1 2 224.308 0.983 20 0 BCADLO Cc1c(C[N@H+](C)CC2OCCO2)cnn1C ZINC000790450182 585965018 /nfs/dbraw/zinc/96/50/18/585965018.db2.gz CUBMLJWZUCJSLC-UHFFFAOYSA-N 1 2 225.292 0.533 20 0 BCADLO Cc1c(C[N@@H+](C)CC2OCCO2)cnn1C ZINC000790450182 585965019 /nfs/dbraw/zinc/96/50/19/585965019.db2.gz CUBMLJWZUCJSLC-UHFFFAOYSA-N 1 2 225.292 0.533 20 0 BCADLO Cc1ccnc(CO[NH+]=C(N)CCO)c1 ZINC000790507721 585965748 /nfs/dbraw/zinc/96/57/48/585965748.db2.gz PNBMGVRJFXUBJK-UHFFFAOYSA-N 1 2 209.249 0.771 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000790555080 585965995 /nfs/dbraw/zinc/96/59/95/585965995.db2.gz NDFAACRYHPZVMW-IVZWLZJFSA-N 1 2 243.303 0.869 20 0 BCADLO COC/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000791291611 585975464 /nfs/dbraw/zinc/97/54/64/585975464.db2.gz ASNIMCGGERVOQQ-RQOWECAXSA-N 1 2 223.276 0.592 20 0 BCADLO CNC(=O)C1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000791856164 585989701 /nfs/dbraw/zinc/98/97/01/585989701.db2.gz JVYIHFZBAWPORS-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO C[C@@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000791939691 585992141 /nfs/dbraw/zinc/99/21/41/585992141.db2.gz RYRJWSARPUDLEL-CYBMUJFWSA-N 1 2 245.282 0.931 20 0 BCADLO Nc1cc(COC(=O)c2ncccc2N)cc[nH+]1 ZINC000792071371 585995407 /nfs/dbraw/zinc/99/54/07/585995407.db2.gz YZGHZFJXOHLXMN-UHFFFAOYSA-N 1 2 244.254 0.998 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCCC(=O)N2)cc[nH+]1 ZINC000792295027 585999270 /nfs/dbraw/zinc/99/92/70/585999270.db2.gz PWLCAEVQBLMMLZ-SECBINFHSA-N 1 2 249.270 0.376 20 0 BCADLO Cn1ncc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792545359 586002367 /nfs/dbraw/zinc/00/23/67/586002367.db2.gz WYSAAUQGYVTJCI-UHFFFAOYSA-N 1 2 233.231 0.149 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1=COCCO1 ZINC000793249875 586014929 /nfs/dbraw/zinc/01/49/29/586014929.db2.gz JMOLELTZAOGNIO-UHFFFAOYSA-N 1 2 238.243 0.394 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCOC1 ZINC000793252032 586015000 /nfs/dbraw/zinc/01/50/00/586015000.db2.gz WCBMJTJWJIUYKT-JTQLQIEISA-N 1 2 238.287 0.932 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)Cc1ccnn1C ZINC000793253785 586015138 /nfs/dbraw/zinc/01/51/38/586015138.db2.gz RJQYPXIASKMNOW-UHFFFAOYSA-N 1 2 248.286 0.482 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cn1cc(C(=O)OC)nn1 ZINC000793820878 586027289 /nfs/dbraw/zinc/02/72/89/586027289.db2.gz NCMBKIMDTIJESU-MRVPVSSYSA-N 1 2 224.264 0.507 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cn1cc(C(=O)OC)nn1 ZINC000793820878 586027290 /nfs/dbraw/zinc/02/72/90/586027290.db2.gz NCMBKIMDTIJESU-MRVPVSSYSA-N 1 2 224.264 0.507 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(C)ncn1 ZINC000794292469 586037304 /nfs/dbraw/zinc/03/73/04/586037304.db2.gz HHCXSQSDYVMYMA-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)ncn1 ZINC000794292469 586037305 /nfs/dbraw/zinc/03/73/05/586037305.db2.gz HHCXSQSDYVMYMA-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO Cc1nsc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000794734901 586047590 /nfs/dbraw/zinc/04/75/90/586047590.db2.gz DUXMWZIRYIYLBK-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970261 586059280 /nfs/dbraw/zinc/05/92/80/586059280.db2.gz XKAANQPBTIKCFJ-IMSYWVGJSA-N 1 2 241.287 0.289 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970261 586059282 /nfs/dbraw/zinc/05/92/82/586059282.db2.gz XKAANQPBTIKCFJ-IMSYWVGJSA-N 1 2 241.287 0.289 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nonc3C)C[C@@H]21 ZINC000794991822 586062182 /nfs/dbraw/zinc/06/21/82/586062182.db2.gz MVMMBKWZOOZLSF-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nonc3C)C[C@@H]21 ZINC000794991822 586062184 /nfs/dbraw/zinc/06/21/84/586062184.db2.gz MVMMBKWZOOZLSF-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO CC[N@H+](Cc1ccnc(F)c1)[C@@H]1CCNC1=O ZINC000859294937 589028653 /nfs/dbraw/zinc/02/86/53/589028653.db2.gz AZOVLNLLEYHWCK-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1ccnc(F)c1)[C@@H]1CCNC1=O ZINC000859294937 589028655 /nfs/dbraw/zinc/02/86/55/589028655.db2.gz AZOVLNLLEYHWCK-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO COCC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000795629022 586089377 /nfs/dbraw/zinc/08/93/77/586089377.db2.gz DHDANTGACWSYNQ-AOOOYVTPSA-N 1 2 243.303 0.618 20 0 BCADLO COCC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000795629022 586089378 /nfs/dbraw/zinc/08/93/78/586089378.db2.gz DHDANTGACWSYNQ-AOOOYVTPSA-N 1 2 243.303 0.618 20 0 BCADLO C[N@H+](CCOCCO)[C@@H]1CC(C)(C)OC1=O ZINC000795650996 586089977 /nfs/dbraw/zinc/08/99/77/586089977.db2.gz IFYJLVFSJRQNPH-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO C[N@@H+](CCOCCO)[C@@H]1CC(C)(C)OC1=O ZINC000795650996 586089978 /nfs/dbraw/zinc/08/99/78/586089978.db2.gz IFYJLVFSJRQNPH-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO C[N@H+](CCOCCO)[C@H]1CC(C)(C)OC1=O ZINC000795650997 586090260 /nfs/dbraw/zinc/09/02/60/586090260.db2.gz IFYJLVFSJRQNPH-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO C[N@@H+](CCOCCO)[C@H]1CC(C)(C)OC1=O ZINC000795650997 586090261 /nfs/dbraw/zinc/09/02/61/586090261.db2.gz IFYJLVFSJRQNPH-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cn2ccsc2=O)C1 ZINC000795673359 586090715 /nfs/dbraw/zinc/09/07/15/586090715.db2.gz CQDGVMWCGGVRTR-DTORHVGOSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2ccsc2=O)C1 ZINC000795673359 586090716 /nfs/dbraw/zinc/09/07/16/586090716.db2.gz CQDGVMWCGGVRTR-DTORHVGOSA-N 1 2 228.317 0.977 20 0 BCADLO CN(C)c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000795667060 586090722 /nfs/dbraw/zinc/09/07/22/586090722.db2.gz ORMMARHXJUREGN-UHFFFAOYSA-N 1 2 207.237 0.644 20 0 BCADLO CN(C)c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000795667060 586090723 /nfs/dbraw/zinc/09/07/23/586090723.db2.gz ORMMARHXJUREGN-UHFFFAOYSA-N 1 2 207.237 0.644 20 0 BCADLO COCCOCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795666163 586090912 /nfs/dbraw/zinc/09/09/12/586090912.db2.gz NDPFGHXURDBUOO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COCCOCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795666163 586090913 /nfs/dbraw/zinc/09/09/13/586090913.db2.gz NDPFGHXURDBUOO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCN(CCS(C)(=O)=O)[C@H](C)C1 ZINC000796315467 586100399 /nfs/dbraw/zinc/10/03/99/586100399.db2.gz MGJFXFPZLAAORX-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC[N@H+]1CCN(CCS(C)(=O)=O)[C@H](C)C1 ZINC000796315467 586100400 /nfs/dbraw/zinc/10/04/00/586100400.db2.gz MGJFXFPZLAAORX-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC(C)S(=O)(=O)CCN(C)Cc1c[nH+]c[nH]1 ZINC000796447421 586103174 /nfs/dbraw/zinc/10/31/74/586103174.db2.gz CYJOWOREIVJJLF-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO CC(C)S(=O)(=O)CCN(C)Cc1c[nH]c[nH+]1 ZINC000796447421 586103175 /nfs/dbraw/zinc/10/31/75/586103175.db2.gz CYJOWOREIVJJLF-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO CCOC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000796445097 586103518 /nfs/dbraw/zinc/10/35/18/586103518.db2.gz JOEZXUKTBXADKQ-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000796445097 586103519 /nfs/dbraw/zinc/10/35/19/586103519.db2.gz JOEZXUKTBXADKQ-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1Cc1c[nH+]c[nH]1 ZINC000796456903 586103994 /nfs/dbraw/zinc/10/39/94/586103994.db2.gz QVDQZUWSLACXKW-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1Cc1c[nH]c[nH+]1 ZINC000796456903 586103995 /nfs/dbraw/zinc/10/39/95/586103995.db2.gz QVDQZUWSLACXKW-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO CCn1nccc1C[N@H+](CCO)CCC(C)=O ZINC000796468686 586104309 /nfs/dbraw/zinc/10/43/09/586104309.db2.gz NBOVOQXFDLLTOC-UHFFFAOYSA-N 1 2 239.319 0.676 20 0 BCADLO CCn1nccc1C[N@@H+](CCO)CCC(C)=O ZINC000796468686 586104310 /nfs/dbraw/zinc/10/43/10/586104310.db2.gz NBOVOQXFDLLTOC-UHFFFAOYSA-N 1 2 239.319 0.676 20 0 BCADLO CCOC(C[N@H+](C)[C@@H](C)C(=O)OC)OCC ZINC000796612949 586108528 /nfs/dbraw/zinc/10/85/28/586108528.db2.gz PLNZAGQNERTLQK-VIFPVBQESA-N 1 2 233.308 0.879 20 0 BCADLO CCOC(C[N@@H+](C)[C@@H](C)C(=O)OC)OCC ZINC000796612949 586108529 /nfs/dbraw/zinc/10/85/29/586108529.db2.gz PLNZAGQNERTLQK-VIFPVBQESA-N 1 2 233.308 0.879 20 0 BCADLO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1nncs1 ZINC000796639157 586109092 /nfs/dbraw/zinc/10/90/92/586109092.db2.gz KQJJNSIEMXVJCC-ZETCQYMHSA-N 1 2 244.320 0.443 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1nncs1 ZINC000796639157 586109093 /nfs/dbraw/zinc/10/90/93/586109093.db2.gz KQJJNSIEMXVJCC-ZETCQYMHSA-N 1 2 244.320 0.443 20 0 BCADLO CC1=CCC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000797823404 586132331 /nfs/dbraw/zinc/13/23/31/586132331.db2.gz VQPIKTCDZJQVHA-UHFFFAOYSA-N 1 2 237.259 0.017 20 0 BCADLO CC1=CCC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000797823404 586132332 /nfs/dbraw/zinc/13/23/32/586132332.db2.gz VQPIKTCDZJQVHA-UHFFFAOYSA-N 1 2 237.259 0.017 20 0 BCADLO O=C(Nc1cn[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000798127719 586137809 /nfs/dbraw/zinc/13/78/09/586137809.db2.gz BQZQGGMLPZUBFZ-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO Cn1c[nH+]c(CN2CCC3(C2)OCCO3)c1 ZINC000798184664 586139132 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/nfs/dbraw/zinc/15/07/72/586150772.db2.gz PWOOXDLQFLOCME-SNVBAGLBSA-N 1 2 240.307 0.477 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000840826821 586153802 /nfs/dbraw/zinc/15/38/02/586153802.db2.gz WPVXGLLXSKWEEF-ADEWGFFLSA-N 1 2 237.303 0.791 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)OCCCF ZINC000859335423 589032710 /nfs/dbraw/zinc/03/27/10/589032710.db2.gz WWNJZMZOAKKKHX-VIFPVBQESA-N 1 2 234.271 0.403 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)OCCCF ZINC000859335423 589032713 /nfs/dbraw/zinc/03/27/13/589032713.db2.gz WWNJZMZOAKKKHX-VIFPVBQESA-N 1 2 234.271 0.403 20 0 BCADLO Cc1ccnn1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000859392162 589035026 /nfs/dbraw/zinc/03/50/26/589035026.db2.gz SJSGLYLAMQIOSY-UHFFFAOYSA-N 1 2 245.286 0.472 20 0 BCADLO CC(C)C1(O)CN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000800381842 586214368 /nfs/dbraw/zinc/21/43/68/586214368.db2.gz KSFFYSQARGRNBT-LBPRGKRZSA-N 1 2 242.363 0.410 20 0 BCADLO CC(C)C1(O)CN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000800381842 586214369 /nfs/dbraw/zinc/21/43/69/586214369.db2.gz KSFFYSQARGRNBT-LBPRGKRZSA-N 1 2 242.363 0.410 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800466551 586221589 /nfs/dbraw/zinc/22/15/89/586221589.db2.gz ORAZVHLNNUNDND-SECBINFHSA-N 1 2 219.306 0.084 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800466551 586221587 /nfs/dbraw/zinc/22/15/87/586221587.db2.gz ORAZVHLNNUNDND-SECBINFHSA-N 1 2 219.306 0.084 20 0 BCADLO C[C@@H]1C[N@H+](CCC(=O)C2CC2)CC(=O)N1C ZINC000800479772 586222134 /nfs/dbraw/zinc/22/21/34/586222134.db2.gz LGEJIDBJBSNTHR-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)CC(=O)N1C ZINC000800479772 586222136 /nfs/dbraw/zinc/22/21/36/586222136.db2.gz LGEJIDBJBSNTHR-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO CCOC(C[N@@H+]1CC(=O)NCC1(C)C)OCC ZINC000800489916 586222566 /nfs/dbraw/zinc/22/25/66/586222566.db2.gz XQUOOABBNHFGNG-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(C[N@H+]1CC(=O)NCC1(C)C)OCC ZINC000800489916 586222567 /nfs/dbraw/zinc/22/25/67/586222567.db2.gz XQUOOABBNHFGNG-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccoc1 ZINC000800538833 586225293 /nfs/dbraw/zinc/22/52/93/586225293.db2.gz CXHPCJMQJKBONF-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccoc1 ZINC000800538833 586225294 /nfs/dbraw/zinc/22/52/94/586225294.db2.gz CXHPCJMQJKBONF-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1c[nH]c(=S)[nH]1 ZINC000800690544 586226987 /nfs/dbraw/zinc/22/69/87/586226987.db2.gz BJNJTOPBIFKIQT-UHFFFAOYSA-N 1 2 237.288 0.362 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561072 586262333 /nfs/dbraw/zinc/26/23/33/586262333.db2.gz UIEWSLNFZHSFNH-QMMMGPOBSA-N 1 2 207.220 0.931 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561072 586262335 /nfs/dbraw/zinc/26/23/35/586262335.db2.gz UIEWSLNFZHSFNH-QMMMGPOBSA-N 1 2 207.220 0.931 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561664 586262465 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586371738 /nfs/dbraw/zinc/37/17/38/586371738.db2.gz RGECIPSMMPYQQY-QMMMGPOBSA-N 1 2 246.270 0.514 20 0 BCADLO C[C@H]1CCC[N@H+]1CN1C(=O)c2nccnc2C1=O ZINC000840015560 586371741 /nfs/dbraw/zinc/37/17/41/586371741.db2.gz RGECIPSMMPYQQY-QMMMGPOBSA-N 1 2 246.270 0.514 20 0 BCADLO C[C@@H]1CN(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@H]1C ZINC000840016682 586375921 /nfs/dbraw/zinc/37/59/21/586375921.db2.gz WJDXOMOMUOMQTB-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@@H]1CN(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@H]1C ZINC000840016682 586375924 /nfs/dbraw/zinc/37/59/24/586375924.db2.gz WJDXOMOMUOMQTB-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=COCC1 ZINC000804335895 586390978 /nfs/dbraw/zinc/39/09/78/586390978.db2.gz FROQSNRMSLUUJL-JTQLQIEISA-N 1 2 233.271 0.618 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccnnc1 ZINC000804334001 586391126 /nfs/dbraw/zinc/39/11/26/586391126.db2.gz VOLWHCIHBOQDNA-JTQLQIEISA-N 1 2 243.270 0.418 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335762 586391372 /nfs/dbraw/zinc/39/13/72/586391372.db2.gz DOAIVLLZNNSAKT-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ncccn1 ZINC000804335523 586391573 /nfs/dbraw/zinc/39/15/73/586391573.db2.gz AUIBJTAUVXWBES-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO COc1nc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)co1 ZINC000859622631 589049583 /nfs/dbraw/zinc/04/95/83/589049583.db2.gz ARRYHEYQUWNQOT-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO COc1nc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)co1 ZINC000859622631 589049585 /nfs/dbraw/zinc/04/95/85/589049585.db2.gz ARRYHEYQUWNQOT-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO Cc1cc(NC(=O)NCc2cnn(C)n2)cc[nH+]1 ZINC000806380084 586411279 /nfs/dbraw/zinc/41/12/79/586411279.db2.gz XPYCYULYOSNRAK-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859663380 589053165 /nfs/dbraw/zinc/05/31/65/589053165.db2.gz OMPRRCCRYKTXLQ-VIFPVBQESA-N 1 2 223.251 0.670 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859639808 589051187 /nfs/dbraw/zinc/05/11/87/589051187.db2.gz CJDYVCVSZIUSIJ-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859639808 589051189 /nfs/dbraw/zinc/05/11/89/589051189.db2.gz CJDYVCVSZIUSIJ-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO C[C@H]1CN(CN2CCn3c[nH+]cc3C2)C(=O)[C@@H]1C ZINC000840076107 586418617 /nfs/dbraw/zinc/41/86/17/586418617.db2.gz OJQKZKJHAAHSMQ-WDEREUQCSA-N 1 2 248.330 0.771 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCOC1CCC1 ZINC000806955732 586420996 /nfs/dbraw/zinc/42/09/96/586420996.db2.gz URTGXXXUDJZXBK-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859663380 589053167 /nfs/dbraw/zinc/05/31/67/589053167.db2.gz OMPRRCCRYKTXLQ-VIFPVBQESA-N 1 2 223.251 0.670 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CCSC1=O ZINC000840082390 586422834 /nfs/dbraw/zinc/42/28/34/586422834.db2.gz DSDXTPZYBDMLLT-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CCSC1=O ZINC000840082390 586422835 /nfs/dbraw/zinc/42/28/35/586422835.db2.gz DSDXTPZYBDMLLT-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840082928 586423009 /nfs/dbraw/zinc/42/30/09/586423009.db2.gz IZGRIGCWTCATSX-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840082928 586423012 /nfs/dbraw/zinc/42/30/12/586423012.db2.gz IZGRIGCWTCATSX-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NN1CCCCC1 ZINC000807166628 586424739 /nfs/dbraw/zinc/42/47/39/586424739.db2.gz ZVKKNUXMVOGTST-UHFFFAOYSA-N 1 2 222.292 0.480 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)COC ZINC000118393565 589169447 /nfs/dbraw/zinc/16/94/47/589169447.db2.gz GTVZIGQURNZCAV-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)COC ZINC000118393565 589169449 /nfs/dbraw/zinc/16/94/49/589169449.db2.gz GTVZIGQURNZCAV-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000840102576 586446666 /nfs/dbraw/zinc/44/66/66/586446666.db2.gz SIOCKYISNZYHEK-BDAKNGLRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000840102576 586446668 /nfs/dbraw/zinc/44/66/68/586446668.db2.gz SIOCKYISNZYHEK-BDAKNGLRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000840102579 586446820 /nfs/dbraw/zinc/44/68/20/586446820.db2.gz SIOCKYISNZYHEK-RKDXNWHRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000840102579 586446822 /nfs/dbraw/zinc/44/68/22/586446822.db2.gz SIOCKYISNZYHEK-RKDXNWHRSA-N 1 2 200.257 0.856 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@H+]1CC[C@H](F)C1 ZINC000840103830 586446946 /nfs/dbraw/zinc/44/69/46/586446946.db2.gz OZLAXNZZJJHZJK-JQWIXIFHSA-N 1 2 242.294 0.627 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840103830 586446947 /nfs/dbraw/zinc/44/69/47/586446947.db2.gz OZLAXNZZJJHZJK-JQWIXIFHSA-N 1 2 242.294 0.627 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000840117513 586449304 /nfs/dbraw/zinc/44/93/04/586449304.db2.gz IVXJZFRTLIZOFK-SECBINFHSA-N 1 2 249.286 0.831 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000840117513 586449305 /nfs/dbraw/zinc/44/93/05/586449305.db2.gz IVXJZFRTLIZOFK-SECBINFHSA-N 1 2 249.286 0.831 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808151058 586464783 /nfs/dbraw/zinc/46/47/83/586464783.db2.gz CSIPAEFNVUHGMC-QMMMGPOBSA-N 1 2 223.280 0.074 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808151058 586464784 /nfs/dbraw/zinc/46/47/84/586464784.db2.gz CSIPAEFNVUHGMC-QMMMGPOBSA-N 1 2 223.280 0.074 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nnn(C3CC3)c2=O)[C@@H]1C ZINC000808165446 586465188 /nfs/dbraw/zinc/46/51/88/586465188.db2.gz DDQIFPBQTWLLPI-RKDXNWHRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nnn(C3CC3)c2=O)[C@@H]1C ZINC000808165446 586465186 /nfs/dbraw/zinc/46/51/86/586465186.db2.gz DDQIFPBQTWLLPI-RKDXNWHRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@H]1C[C@H](C)[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163457 586465622 /nfs/dbraw/zinc/46/56/22/586465622.db2.gz LSXBJNXKCRNATH-IUCAKERBSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163457 586465624 /nfs/dbraw/zinc/46/56/24/586465624.db2.gz LSXBJNXKCRNATH-IUCAKERBSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163458 586465708 /nfs/dbraw/zinc/46/57/08/586465708.db2.gz LSXBJNXKCRNATH-RKDXNWHRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163458 586465710 /nfs/dbraw/zinc/46/57/10/586465710.db2.gz LSXBJNXKCRNATH-RKDXNWHRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@H](NCc1cn(C)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000808396598 586471118 /nfs/dbraw/zinc/47/11/18/586471118.db2.gz SFYAEWDXBFXZFS-JQWIXIFHSA-N 1 2 238.335 0.229 20 0 BCADLO C[C@H](NCc1cn(C)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000808396598 586471120 /nfs/dbraw/zinc/47/11/20/586471120.db2.gz SFYAEWDXBFXZFS-JQWIXIFHSA-N 1 2 238.335 0.229 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C(C)(F)F ZINC000808465699 586474810 /nfs/dbraw/zinc/47/48/10/586474810.db2.gz FJSGQUPKUHRCHS-UHFFFAOYSA-N 1 2 217.219 0.734 20 0 BCADLO COC(=O)N1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808710370 586483929 /nfs/dbraw/zinc/48/39/29/586483929.db2.gz IVRHBLXPEKQZPL-UHFFFAOYSA-N 1 2 242.319 0.986 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000808726898 586484852 /nfs/dbraw/zinc/48/48/52/586484852.db2.gz ADWSVNLQSPNJEY-UHFFFAOYSA-N 1 2 226.320 0.812 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000808726898 586484853 /nfs/dbraw/zinc/48/48/53/586484853.db2.gz ADWSVNLQSPNJEY-UHFFFAOYSA-N 1 2 226.320 0.812 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)C(C)C ZINC000808750014 586487157 /nfs/dbraw/zinc/48/71/57/586487157.db2.gz IKWZLFKPFLHASM-NXEZZACHSA-N 1 2 243.303 0.210 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)C(C)C ZINC000808750014 586487159 /nfs/dbraw/zinc/48/71/59/586487159.db2.gz IKWZLFKPFLHASM-NXEZZACHSA-N 1 2 243.303 0.210 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)s1 ZINC000808751788 586488008 /nfs/dbraw/zinc/48/80/08/586488008.db2.gz KRVFDXBCBPUCRQ-ZJUUUORDSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)s1 ZINC000808751788 586488009 /nfs/dbraw/zinc/48/80/09/586488009.db2.gz KRVFDXBCBPUCRQ-ZJUUUORDSA-N 1 2 242.344 0.627 20 0 BCADLO Cn1ncc(-c2nc(Cc3c[nH+]cn3C)no2)n1 ZINC000809447917 586505814 /nfs/dbraw/zinc/50/58/14/586505814.db2.gz JMLKNTDGUUNQIE-UHFFFAOYSA-N 1 2 245.246 0.189 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1ncn(C)c1=O ZINC000840180759 586506487 /nfs/dbraw/zinc/50/64/87/586506487.db2.gz JUXYMNGEGDMABV-SECBINFHSA-N 1 2 224.308 0.660 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@H+]1Cn1ncn(C)c1=O ZINC000840180759 586506488 /nfs/dbraw/zinc/50/64/88/586506488.db2.gz JUXYMNGEGDMABV-SECBINFHSA-N 1 2 224.308 0.660 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000809650299 586510728 /nfs/dbraw/zinc/51/07/28/586510728.db2.gz UMDXAVYDEYURPO-PWSUYJOCSA-N 1 2 236.319 0.673 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000809650299 586510730 /nfs/dbraw/zinc/51/07/30/586510730.db2.gz UMDXAVYDEYURPO-PWSUYJOCSA-N 1 2 236.319 0.673 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CCO)nc1 ZINC000809764252 586518324 /nfs/dbraw/zinc/51/83/24/586518324.db2.gz CTXPNFGHCWVERP-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2CCO)nc1 ZINC000809764252 586518325 /nfs/dbraw/zinc/51/83/25/586518325.db2.gz CTXPNFGHCWVERP-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000809940182 586524548 /nfs/dbraw/zinc/52/45/48/586524548.db2.gz FKHLZJNZXZKUGE-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000809940182 586524550 /nfs/dbraw/zinc/52/45/50/586524550.db2.gz FKHLZJNZXZKUGE-CYBMUJFWSA-N 1 2 246.314 0.981 20 0 BCADLO COCCc1nc(C[N@@H+]2CC[C@H]3C[C@H]32)no1 ZINC000809968272 586527113 /nfs/dbraw/zinc/52/71/13/586527113.db2.gz SSEJQGCQRZTPIA-DTWKUNHWSA-N 1 2 223.276 0.853 20 0 BCADLO COCCc1nc(C[N@H+]2CC[C@H]3C[C@H]32)no1 ZINC000809968272 586527114 /nfs/dbraw/zinc/52/71/14/586527114.db2.gz SSEJQGCQRZTPIA-DTWKUNHWSA-N 1 2 223.276 0.853 20 0 BCADLO CN(Cc1cnn(C)n1)Cc1[nH+]ccn1C ZINC000809967016 586527120 /nfs/dbraw/zinc/52/71/20/586527120.db2.gz WTJZECAPFNGNIK-UHFFFAOYSA-N 1 2 220.280 0.181 20 0 BCADLO COCCCOCC[N@H+](C)Cc1cnn(C)n1 ZINC000809970444 586527517 /nfs/dbraw/zinc/52/75/17/586527517.db2.gz ZAZTYAOEUHUHEU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1cnn(C)n1 ZINC000809970444 586527518 /nfs/dbraw/zinc/52/75/18/586527518.db2.gz ZAZTYAOEUHUHEU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1C ZINC000809985864 586528557 /nfs/dbraw/zinc/52/85/57/586528557.db2.gz SZXUUOCDPMPYMX-GXSJLCMTSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1C ZINC000809985864 586528559 /nfs/dbraw/zinc/52/85/59/586528559.db2.gz SZXUUOCDPMPYMX-GXSJLCMTSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cnn(C)n1 ZINC000809988787 586529184 /nfs/dbraw/zinc/52/91/84/586529184.db2.gz QBUYRFPJBCGIIQ-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cnn(C)n1 ZINC000809988787 586529185 /nfs/dbraw/zinc/52/91/85/586529185.db2.gz QBUYRFPJBCGIIQ-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1cnn(C)n1 ZINC000809999675 586530003 /nfs/dbraw/zinc/53/00/03/586530003.db2.gz MJAZRNDQTCEOMT-UHFFFAOYSA-N 1 2 244.262 0.045 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cnn(C)n2)C1 ZINC000810014934 586531478 /nfs/dbraw/zinc/53/14/78/586531478.db2.gz FSCKEOMBKVULAW-AOOOYVTPSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(C)n2)C1 ZINC000810014934 586531480 /nfs/dbraw/zinc/53/14/80/586531480.db2.gz FSCKEOMBKVULAW-AOOOYVTPSA-N 1 2 210.281 0.424 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCO)C[C@@H](C)O ZINC000810039764 586532043 /nfs/dbraw/zinc/53/20/43/586532043.db2.gz HMLLLYYPHFQYGN-NXEZZACHSA-N 1 2 233.308 0.003 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCO)C[C@@H](C)O ZINC000810039764 586532045 /nfs/dbraw/zinc/53/20/45/586532045.db2.gz HMLLLYYPHFQYGN-NXEZZACHSA-N 1 2 233.308 0.003 20 0 BCADLO CC(C)COC[C@@H](O)C[NH2+][C@]1(C)CCOC1=O ZINC000810096398 586533546 /nfs/dbraw/zinc/53/35/46/586533546.db2.gz MKUFFNMPWUBYQG-CMPLNLGQSA-N 1 2 245.319 0.315 20 0 BCADLO CC(C)COC[C@@H](O)C[NH2+][C@@]1(C)CCOC1=O ZINC000810096399 586533640 /nfs/dbraw/zinc/53/36/40/586533640.db2.gz MKUFFNMPWUBYQG-JQWIXIFHSA-N 1 2 245.319 0.315 20 0 BCADLO Nc1cc(COC(=O)Cc2cncnc2)cc[nH+]1 ZINC000811330259 586558416 /nfs/dbraw/zinc/55/84/16/586558416.db2.gz FEKQHOKTPONWOK-UHFFFAOYSA-N 1 2 244.254 0.740 20 0 BCADLO Cc1nccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000811589102 586561712 /nfs/dbraw/zinc/56/17/12/586561712.db2.gz JQHSXLHORKLWJR-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CO[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000811589289 586561719 /nfs/dbraw/zinc/56/17/19/586561719.db2.gz QGTNVPDGXKGRFX-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO CCNC(=S)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811712912 586566200 /nfs/dbraw/zinc/56/62/00/586566200.db2.gz KYPSHPVAGOOBHC-SSDOTTSWSA-N 1 2 224.333 0.751 20 0 BCADLO CCNC(=S)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811712912 586566201 /nfs/dbraw/zinc/56/62/01/586566201.db2.gz KYPSHPVAGOOBHC-SSDOTTSWSA-N 1 2 224.333 0.751 20 0 BCADLO Cn1c[nH+]cc1CNc1cncc2ncnn21 ZINC000811846323 586567932 /nfs/dbraw/zinc/56/79/32/586567932.db2.gz QMSDFMKYFDLULH-UHFFFAOYSA-N 1 2 229.247 0.470 20 0 BCADLO Cc1cc(N2CC(n3cncn3)C2)nc[nH+]1 ZINC000812474571 586577867 /nfs/dbraw/zinc/57/78/67/586577867.db2.gz JPLHALMTXXPHKC-UHFFFAOYSA-N 1 2 216.248 0.438 20 0 BCADLO C[S@@](=O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000840263215 586583260 /nfs/dbraw/zinc/58/32/60/586583260.db2.gz GBWCIWOQBRTLGO-MRXNPFEDSA-N 1 2 240.332 0.841 20 0 BCADLO S=C(NCCn1cc[nH+]c1)NC1CCC1 ZINC000814192412 586616499 /nfs/dbraw/zinc/61/64/99/586616499.db2.gz ULCCHYYRABCICP-UHFFFAOYSA-N 1 2 224.333 0.900 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C=O)c[nH]1 ZINC000814796145 586634306 /nfs/dbraw/zinc/63/43/06/586634306.db2.gz PCSVIBKXGXKTCV-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000815700207 586692017 /nfs/dbraw/zinc/69/20/17/586692017.db2.gz BAHNTSQGLJZTKC-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000815700207 586692018 /nfs/dbraw/zinc/69/20/18/586692018.db2.gz BAHNTSQGLJZTKC-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO CCn1ncc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000815881166 586695787 /nfs/dbraw/zinc/69/57/87/586695787.db2.gz FSYDDJQKBGKZNT-UHFFFAOYSA-N 1 2 233.231 0.073 20 0 BCADLO CCn1nncc1C(=O)OCCc1c[nH+]cn1C ZINC000816030466 586704771 /nfs/dbraw/zinc/70/47/71/586704771.db2.gz PUAJMKWXSZXQSC-UHFFFAOYSA-N 1 2 249.274 0.431 20 0 BCADLO CCn1ncc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000816046652 586705619 /nfs/dbraw/zinc/70/56/19/586705619.db2.gz GXGWSIGRPGVHEW-UHFFFAOYSA-N 1 2 248.290 0.004 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1Cl ZINC000816573981 586742037 /nfs/dbraw/zinc/74/20/37/586742037.db2.gz SCHYXHIEMGVRFR-DTWKUNHWSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1Cl ZINC000816573981 586742039 /nfs/dbraw/zinc/74/20/39/586742039.db2.gz SCHYXHIEMGVRFR-DTWKUNHWSA-N 1 2 245.710 0.001 20 0 BCADLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cn[nH]c2)C1 ZINC000816635741 586746388 /nfs/dbraw/zinc/74/63/88/586746388.db2.gz UXKBCBOIDGOOBC-JTQLQIEISA-N 1 2 241.266 0.743 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ocnc2C)c[nH+]1 ZINC000816708757 586759762 /nfs/dbraw/zinc/75/97/62/586759762.db2.gz QVPBGDLLNGTIQM-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CCONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816831368 586767177 /nfs/dbraw/zinc/76/71/77/586767177.db2.gz PRPXJRFEMYYLRL-QMMMGPOBSA-N 1 2 209.249 0.513 20 0 BCADLO CCOC(=O)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816844463 586767392 /nfs/dbraw/zinc/76/73/92/586767392.db2.gz BFCHTGNIESECSJ-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO COC(=O)[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816871241 586768478 /nfs/dbraw/zinc/76/84/78/586768478.db2.gz DTIBGGGTFPVUPQ-QMMMGPOBSA-N 1 2 239.275 0.220 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000816858561 586768552 /nfs/dbraw/zinc/76/85/52/586768552.db2.gz RZUSZYHJNNIJRE-IUCAKERBSA-N 1 2 223.276 0.588 20 0 BCADLO COCCn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816889720 586769557 /nfs/dbraw/zinc/76/95/57/586769557.db2.gz JVGSLKOWIKZPBE-UHFFFAOYSA-N 1 2 249.274 0.434 20 0 BCADLO COCCn1ccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816914690 586771226 /nfs/dbraw/zinc/77/12/26/586771226.db2.gz AZXOPFXPXZOENG-UHFFFAOYSA-N 1 2 249.274 0.434 20 0 BCADLO CS[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816954271 586773514 /nfs/dbraw/zinc/77/35/14/586773514.db2.gz XOJXABVFYCYGNQ-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000816950469 586773722 /nfs/dbraw/zinc/77/37/22/586773722.db2.gz SIBHLBBLPWAJEY-RKDXNWHRSA-N 1 2 223.276 0.372 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(C[C@H]1CCOC1)C1CC1 ZINC000816949967 586773796 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586955839 /nfs/dbraw/zinc/95/58/39/586955839.db2.gz CYGWKBAEOFSRNN-QMMMGPOBSA-N 1 2 246.332 0.760 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000819975248 587009799 /nfs/dbraw/zinc/00/97/99/587009799.db2.gz YHGPTHIONRXEMG-SGUJLRQBSA-N 1 2 249.314 0.805 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000820080080 587015811 /nfs/dbraw/zinc/01/58/11/587015811.db2.gz XDVQKEMMLJXKHK-ONGXEEELSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000820080080 587015813 /nfs/dbraw/zinc/01/58/13/587015813.db2.gz XDVQKEMMLJXKHK-ONGXEEELSA-N 1 2 226.320 0.924 20 0 BCADLO O=C(N[C@@H]1COC(=O)C1)c1ccc2[nH+]ccn2c1 ZINC000820073281 587018055 /nfs/dbraw/zinc/01/80/55/587018055.db2.gz FKBMNUXAUIWLCF-VIFPVBQESA-N 1 2 245.238 0.380 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000820079765 587019054 /nfs/dbraw/zinc/01/90/54/587019054.db2.gz VFMNTUAUEJSKJE-BDAKNGLRSA-N 1 2 200.282 0.533 20 0 BCADLO 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O=C1CC[C@@H]([N@H+]2Cc3cccnc3C2)C(=O)N1 ZINC000823001476 587197726 /nfs/dbraw/zinc/19/77/26/587197726.db2.gz NEPKLGARXGIYLZ-SNVBAGLBSA-N 1 2 231.255 0.202 20 0 BCADLO C=C=CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823080879 587201485 /nfs/dbraw/zinc/20/14/85/587201485.db2.gz CUBXKPOAGCMISY-RKDXNWHRSA-N 1 2 203.245 0.971 20 0 BCADLO C=C=CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823080879 587201486 /nfs/dbraw/zinc/20/14/86/587201486.db2.gz CUBXKPOAGCMISY-RKDXNWHRSA-N 1 2 203.245 0.971 20 0 BCADLO CO[C@H](C[NH2+][C@]1(C)CCOC1=O)C1CC1 ZINC000823157290 587206021 /nfs/dbraw/zinc/20/60/21/587206021.db2.gz PLJOBEDIYJFSQL-MWLCHTKSSA-N 1 2 213.277 0.707 20 0 BCADLO CCc1nc(CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC000823218279 587209036 /nfs/dbraw/zinc/20/90/36/587209036.db2.gz CSNDTRHQEXDZTR-UHFFFAOYSA-N 1 2 237.307 0.079 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000823237225 587210629 /nfs/dbraw/zinc/21/06/29/587210629.db2.gz PNCPWCGVIVPMOL-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO CC(C)ONC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823301917 587215058 /nfs/dbraw/zinc/21/50/58/587215058.db2.gz JNPHKPZAKIZELW-UHFFFAOYSA-N 1 2 244.335 0.801 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(OC)OC ZINC000823313627 587216160 /nfs/dbraw/zinc/21/61/60/587216160.db2.gz BLLOHLTZHGJLCU-MRVPVSSYSA-N 1 2 241.291 0.699 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000823379390 587218765 /nfs/dbraw/zinc/21/87/65/587218765.db2.gz GFDSLXAJOYWWRY-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000823379390 587218766 /nfs/dbraw/zinc/21/87/66/587218766.db2.gz GFDSLXAJOYWWRY-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000823458972 587223610 /nfs/dbraw/zinc/22/36/10/587223610.db2.gz LDTUBTVNLSANPS-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000823458972 587223612 /nfs/dbraw/zinc/22/36/12/587223612.db2.gz LDTUBTVNLSANPS-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCO[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823651329 587234732 /nfs/dbraw/zinc/23/47/32/587234732.db2.gz FVAPVYPFVZWUKO-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000823704588 587237292 /nfs/dbraw/zinc/23/72/92/587237292.db2.gz NKSSDNUDXIEHNP-XNPJLODASA-N 1 2 248.286 0.080 20 0 BCADLO COC(OC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823734840 587238819 /nfs/dbraw/zinc/23/88/19/587238819.db2.gz LTWHXLNYSDOAEO-UHFFFAOYSA-N 1 2 238.287 0.934 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H](O)C2)c1 ZINC000824114871 587256559 /nfs/dbraw/zinc/25/65/59/587256559.db2.gz BHUZFEIBPQFRBW-SGUJLRQBSA-N 1 2 235.287 0.417 20 0 BCADLO CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824122187 587256743 /nfs/dbraw/zinc/25/67/43/587256743.db2.gz CUABOZCVSADWDC-OUAUKWLOSA-N 1 2 243.351 0.818 20 0 BCADLO CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824122187 587256744 /nfs/dbraw/zinc/25/67/44/587256744.db2.gz CUABOZCVSADWDC-OUAUKWLOSA-N 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/nfs/dbraw/zinc/35/46/73/587354673.db2.gz ZJMUXYSSQROSEB-JTQLQIEISA-N 1 2 249.314 0.614 20 0 BCADLO O=C(CC1CSC1)Nc1cc[nH+]cc1O ZINC000867042647 587360738 /nfs/dbraw/zinc/36/07/38/587360738.db2.gz NLKSQBVUQVCXML-UHFFFAOYSA-N 1 2 224.285 0.901 20 0 BCADLO CCN(OC)C(=O)CNc1cc(C)[nH+]cn1 ZINC000826756615 587361178 /nfs/dbraw/zinc/36/11/78/587361178.db2.gz VACXXZINMGJHIZ-UHFFFAOYSA-N 1 2 224.264 0.607 20 0 BCADLO Cc1cc(NC(=O)[C@@H](O)C2CC2)cc[nH+]1 ZINC000827390642 587379350 /nfs/dbraw/zinc/37/93/50/587379350.db2.gz ZOCCIHFRSCBGFK-JTQLQIEISA-N 1 2 206.245 0.521 20 0 BCADLO Cc1ccc(NC(=O)CO)c(N(C)C)[nH+]1 ZINC000827553095 587387578 /nfs/dbraw/zinc/38/75/78/587387578.db2.gz ZHLZNLDXLIOKTM-UHFFFAOYSA-N 1 2 209.249 0.387 20 0 BCADLO Cc1c[nH]c(CNC(=O)COC(F)(F)F)[nH+]1 ZINC000827582487 587389673 /nfs/dbraw/zinc/38/96/73/587389673.db2.gz MQHNNTHIYWBLKS-UHFFFAOYSA-N 1 2 237.181 0.871 20 0 BCADLO Cc1c[nH]c(CNC(=O)C2(n3cccn3)CC2)[nH+]1 ZINC000827587810 587391220 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587414829 /nfs/dbraw/zinc/41/48/29/587414829.db2.gz XFTFESWBZSOKGP-WCQYABFASA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@]2(C)C=CCC2)C[C@H]1CO ZINC000827983911 587414831 /nfs/dbraw/zinc/41/48/31/587414831.db2.gz XFTFESWBZSOKGP-WCQYABFASA-N 1 2 238.331 0.478 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000827990445 587415679 /nfs/dbraw/zinc/41/56/79/587415679.db2.gz KKNVCONYKOYLJT-USBNGQNGSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000827990445 587415681 /nfs/dbraw/zinc/41/56/81/587415681.db2.gz KKNVCONYKOYLJT-USBNGQNGSA-N 1 2 247.360 0.245 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CC[S@](C)=O ZINC000828062955 587418611 /nfs/dbraw/zinc/41/86/11/587418611.db2.gz XAKIAUCKRLFPIN-AWEZNQCLSA-N 1 2 221.322 0.248 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CC[S@](C)=O ZINC000828062955 587418613 /nfs/dbraw/zinc/41/86/13/587418613.db2.gz XAKIAUCKRLFPIN-AWEZNQCLSA-N 1 2 221.322 0.248 20 0 BCADLO CC[C@@](C)([NH2+]CC[S@](C)=O)C(=O)OC ZINC000828122408 587419956 /nfs/dbraw/zinc/41/99/56/587419956.db2.gz LMJNUPSIVNKJFF-OTYXRUKQSA-N 1 2 221.322 0.296 20 0 BCADLO C[C@@H](O)[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828300026 587432810 /nfs/dbraw/zinc/43/28/10/587432810.db2.gz OVZWHCVFCFFMLC-HQJQHLMTSA-N 1 2 249.270 0.034 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC[S@@](C)=O ZINC000828317726 587434333 /nfs/dbraw/zinc/43/43/33/587434333.db2.gz AEBSNXPYPDGVSP-JDNHERCYSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC[S@@](C)=O ZINC000828317726 587434334 /nfs/dbraw/zinc/43/43/34/587434334.db2.gz AEBSNXPYPDGVSP-JDNHERCYSA-N 1 2 248.392 0.600 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC[S@@](C)=O ZINC000828316989 587434354 /nfs/dbraw/zinc/43/43/54/587434354.db2.gz QTHIKNMDQHHWDY-MGPLVRAMSA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC[S@@](C)=O ZINC000828316989 587434356 /nfs/dbraw/zinc/43/43/56/587434356.db2.gz QTHIKNMDQHHWDY-MGPLVRAMSA-N 1 2 247.360 0.781 20 0 BCADLO CCCONC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000828338646 587436709 /nfs/dbraw/zinc/43/67/09/587436709.db2.gz ORLUPLCJLJFYMK-MRVPVSSYSA-N 1 2 224.264 0.969 20 0 BCADLO C[C@H]1CSCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828367726 587438944 /nfs/dbraw/zinc/43/89/44/587438944.db2.gz RKRAIJGWRJLLQL-QMMMGPOBSA-N 1 2 225.317 0.916 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CC[S@](C)=O)C(C)(C)C ZINC000828379311 587438959 /nfs/dbraw/zinc/43/89/59/587438959.db2.gz GRJIJINEANHFDF-ABKXIKBNSA-N 1 2 249.376 0.932 20 0 BCADLO CSC[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828398050 587440128 /nfs/dbraw/zinc/44/01/28/587440128.db2.gz UFQSNUUBNQWCCA-SNVBAGLBSA-N 1 2 243.332 0.182 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000828440657 587442427 /nfs/dbraw/zinc/44/24/27/587442427.db2.gz UEJCVARTFHPXTK-BONVTDFDSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000828440657 587442429 /nfs/dbraw/zinc/44/24/29/587442429.db2.gz UEJCVARTFHPXTK-BONVTDFDSA-N 1 2 227.333 0.925 20 0 BCADLO CC(C)NC(=O)NCC[NH+]1CC(O)(C(C)C)C1 ZINC000828439375 587442511 /nfs/dbraw/zinc/44/25/11/587442511.db2.gz GPRQKZUQPSGHAD-UHFFFAOYSA-N 1 2 243.351 0.397 20 0 BCADLO CN1CCN(CC[S@](C)=O)c2ccc[nH+]c21 ZINC000828529934 587448046 /nfs/dbraw/zinc/44/80/46/587448046.db2.gz ZTXDYLOGTPADOU-INIZCTEOSA-N 1 2 239.344 0.716 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CC[S@](C)=O)n1 ZINC000828537226 587449517 /nfs/dbraw/zinc/44/95/17/587449517.db2.gz WOWJKAOETZJOQQ-FVMDXXJSSA-N 1 2 243.332 0.893 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CC[S@](C)=O)n1 ZINC000828537226 587449518 /nfs/dbraw/zinc/44/95/18/587449518.db2.gz WOWJKAOETZJOQQ-FVMDXXJSSA-N 1 2 243.332 0.893 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]2CCO[C@H]21 ZINC000828547657 587450223 /nfs/dbraw/zinc/45/02/23/587450223.db2.gz PVEINTRCPGDRGP-GGZOMVNGSA-N 1 2 249.314 0.882 20 0 BCADLO C[S@@](=O)CC[N@@H+](C1CC1)C1COC1 ZINC000828580919 587451922 /nfs/dbraw/zinc/45/19/22/587451922.db2.gz DNFAAUQTIYSUSF-CYBMUJFWSA-N 1 2 203.307 0.228 20 0 BCADLO C[S@@](=O)CC[N@H+](C1CC1)C1COC1 ZINC000828580919 587451920 /nfs/dbraw/zinc/45/19/20/587451920.db2.gz DNFAAUQTIYSUSF-CYBMUJFWSA-N 1 2 203.307 0.228 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC[S@@](C)=O ZINC000828754607 587460172 /nfs/dbraw/zinc/46/01/72/587460172.db2.gz AXYRATNHNHGHHZ-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC[S@@](C)=O ZINC000828754607 587460174 /nfs/dbraw/zinc/46/01/74/587460174.db2.gz AXYRATNHNHGHHZ-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000828832108 587465528 /nfs/dbraw/zinc/46/55/28/587465528.db2.gz HNYFHLWTUJUKRP-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000828832108 587465529 /nfs/dbraw/zinc/46/55/29/587465529.db2.gz HNYFHLWTUJUKRP-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccnn1C ZINC000828946961 587474604 /nfs/dbraw/zinc/47/46/04/587474604.db2.gz KYESOTCFVQWFKK-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC[S@](C)=O ZINC000828952580 587474946 /nfs/dbraw/zinc/47/49/46/587474946.db2.gz AXDOAPWOQLBVBR-PUTJDCORSA-N 1 2 247.360 0.638 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC[S@](C)=O ZINC000828952580 587474947 /nfs/dbraw/zinc/47/49/47/587474947.db2.gz AXDOAPWOQLBVBR-PUTJDCORSA-N 1 2 247.360 0.638 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccnn2C)c[nH+]1 ZINC000828953908 587475627 /nfs/dbraw/zinc/47/56/27/587475627.db2.gz OSNNUXQRHRQZGF-SSDOTTSWSA-N 1 2 233.275 0.943 20 0 BCADLO O=C(CO)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000829059081 587481067 /nfs/dbraw/zinc/48/10/67/587481067.db2.gz IYEQMCOXKWUVNF-NSHDSACASA-N 1 2 247.298 0.385 20 0 BCADLO OCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143523 587484751 /nfs/dbraw/zinc/48/47/51/587484751.db2.gz QQSNAUZIFPWOJE-UHFFFAOYSA-N 1 2 213.668 0.480 20 0 BCADLO CCn1nnc(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000829292527 587491632 /nfs/dbraw/zinc/49/16/32/587491632.db2.gz VIXDKPXBOFGAAB-UHFFFAOYSA-N 1 2 238.335 0.809 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C(C)(F)F)cc2C1 ZINC000829399497 587495654 /nfs/dbraw/zinc/49/56/54/587495654.db2.gz UVYJHFIASDKXTQ-UHFFFAOYSA-N 1 2 244.245 0.922 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C(C)(F)F)cc2C1 ZINC000829399497 587495655 /nfs/dbraw/zinc/49/56/55/587495655.db2.gz UVYJHFIASDKXTQ-UHFFFAOYSA-N 1 2 244.245 0.922 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000829398664 587495753 /nfs/dbraw/zinc/49/57/53/587495753.db2.gz FREDTVNZLWKHPI-JTQLQIEISA-N 1 2 237.259 0.020 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000829846837 587523285 /nfs/dbraw/zinc/52/32/85/587523285.db2.gz XDKWLXJYYJWCAV-IUCAKERBSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000829846836 587523327 /nfs/dbraw/zinc/52/33/27/587523327.db2.gz XDKWLXJYYJWCAV-DTWKUNHWSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2COCC[C@H]21 ZINC000829982217 587530958 /nfs/dbraw/zinc/53/09/58/587530958.db2.gz LRWFJXJBHAQPQV-GHMZBOCLSA-N 1 2 249.314 0.980 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1O ZINC000830135134 587537926 /nfs/dbraw/zinc/53/79/26/587537926.db2.gz KZQHUWYQIGEQEA-QMMMGPOBSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1O ZINC000830135134 587537928 /nfs/dbraw/zinc/53/79/28/587537928.db2.gz KZQHUWYQIGEQEA-QMMMGPOBSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C=O)c1 ZINC000830134036 587538099 /nfs/dbraw/zinc/53/80/99/587538099.db2.gz AIONEHRTJZPGLW-SECBINFHSA-N 1 2 222.244 0.526 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1coc(C=O)c1 ZINC000830134036 587538100 /nfs/dbraw/zinc/53/81/00/587538100.db2.gz AIONEHRTJZPGLW-SECBINFHSA-N 1 2 222.244 0.526 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830220102 587541567 /nfs/dbraw/zinc/54/15/67/587541567.db2.gz YMGNAWDYHZPZDK-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830220102 587541569 /nfs/dbraw/zinc/54/15/69/587541569.db2.gz YMGNAWDYHZPZDK-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CC(C)[N@H+](CC[S@](C)=O)C1COC1 ZINC000830221638 587542337 /nfs/dbraw/zinc/54/23/37/587542337.db2.gz UNIPKLSFOMSWOD-ZDUSSCGKSA-N 1 2 205.323 0.474 20 0 BCADLO CC(C)[N@@H+](CC[S@](C)=O)C1COC1 ZINC000830221638 587542339 /nfs/dbraw/zinc/54/23/39/587542339.db2.gz UNIPKLSFOMSWOD-ZDUSSCGKSA-N 1 2 205.323 0.474 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830239986 587543349 /nfs/dbraw/zinc/54/33/49/587543349.db2.gz DUEKOOGXQCRZHF-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830239986 587543350 /nfs/dbraw/zinc/54/33/50/587543350.db2.gz DUEKOOGXQCRZHF-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830241867 587543561 /nfs/dbraw/zinc/54/35/61/587543561.db2.gz BOVSUVCXISVMMX-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830256423 587544533 /nfs/dbraw/zinc/54/45/33/587544533.db2.gz WKIMOBOGBKAWJR-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO CCC[C@H](CCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830304399 587545628 /nfs/dbraw/zinc/54/56/28/587545628.db2.gz ZOYNLVIZVUPRHJ-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@@](CO)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000830386957 587548775 /nfs/dbraw/zinc/54/87/75/587548775.db2.gz RTNJITXWGYLXKN-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(CCO)CC1CC1 ZINC000830691599 587564124 /nfs/dbraw/zinc/56/41/24/587564124.db2.gz UJTNMBLHYJMZDE-UHFFFAOYSA-N 1 2 223.276 0.183 20 0 BCADLO CC[N@H+](CCSC)Cc1cnn(C)n1 ZINC000830999827 587581720 /nfs/dbraw/zinc/58/17/20/587581720.db2.gz WMXFFZJVJKEIBR-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCn2nccc21 ZINC000831183905 587590083 /nfs/dbraw/zinc/59/00/83/587590083.db2.gz YSWUEUSFXFELLE-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NOC)C12CCC2 ZINC000831308859 587597289 /nfs/dbraw/zinc/59/72/89/587597289.db2.gz QSCQWPMMFPGZDV-VHSXEESVSA-N 1 2 242.319 0.601 20 0 BCADLO CONC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000831352817 587600601 /nfs/dbraw/zinc/60/06/01/587600601.db2.gz CPTHDGYWYQDXAI-UWVGGRQHSA-N 1 2 244.335 0.846 20 0 BCADLO CCON(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000831476854 587611923 /nfs/dbraw/zinc/61/19/23/587611923.db2.gz VAPOHSPPMBAADZ-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CCON(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000831476854 587611925 /nfs/dbraw/zinc/61/19/25/587611925.db2.gz VAPOHSPPMBAADZ-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CN(CC1CCOCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000831531179 587617007 /nfs/dbraw/zinc/61/70/07/587617007.db2.gz RVSOZSNKNMMIRF-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831608016 587623236 /nfs/dbraw/zinc/62/32/36/587623236.db2.gz YZJVYYKJSPFXFC-ZRUFSTJUSA-N 1 2 247.298 0.966 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000831611951 587623422 /nfs/dbraw/zinc/62/34/22/587623422.db2.gz KGPWROASRIWXGB-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(=O)N1 ZINC000831769714 587630669 /nfs/dbraw/zinc/63/06/69/587630669.db2.gz SWXDVFYDLPJWHP-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)CC(=O)N1 ZINC000831769714 587630671 /nfs/dbraw/zinc/63/06/71/587630671.db2.gz SWXDVFYDLPJWHP-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO C[C@H]1C[N@H+](CC[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000831769254 587630904 /nfs/dbraw/zinc/63/09/04/587630904.db2.gz ITABEZRZPNZBMF-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000831769254 587630905 /nfs/dbraw/zinc/63/09/05/587630905.db2.gz ITABEZRZPNZBMF-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCF ZINC000831782185 587631570 /nfs/dbraw/zinc/63/15/70/587631570.db2.gz FTWDSRCIKKYKPE-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCF ZINC000831782185 587631571 /nfs/dbraw/zinc/63/15/71/587631571.db2.gz FTWDSRCIKKYKPE-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccncc21 ZINC000831790597 587631869 /nfs/dbraw/zinc/63/18/69/587631869.db2.gz TYNYMUYHHSCGDF-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1CCO ZINC000832542303 587665677 /nfs/dbraw/zinc/66/56/77/587665677.db2.gz LLYMZSVARPMZCB-VIFPVBQESA-N 1 2 223.276 0.326 20 0 BCADLO O=C([O-])NCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000832616489 587669544 /nfs/dbraw/zinc/66/95/44/587669544.db2.gz FWNDMLIMLZHIOC-VIFPVBQESA-N 1 2 227.308 0.470 20 0 BCADLO O=C([O-])NCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000832616489 587669545 /nfs/dbraw/zinc/66/95/45/587669545.db2.gz FWNDMLIMLZHIOC-VIFPVBQESA-N 1 2 227.308 0.470 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832674385 587676606 /nfs/dbraw/zinc/67/66/06/587676606.db2.gz RCZWQUNWNLMVGR-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)[C@H](C)O1 ZINC000832708791 587678468 /nfs/dbraw/zinc/67/84/68/587678468.db2.gz QMCAWNOGGCFYGX-UTLUCORTSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000833406114 587713613 /nfs/dbraw/zinc/71/36/13/587713613.db2.gz AZFDROSQVSXUHU-BDAKNGLRSA-N 1 2 223.276 0.683 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000833406114 587713614 /nfs/dbraw/zinc/71/36/14/587713614.db2.gz AZFDROSQVSXUHU-BDAKNGLRSA-N 1 2 223.276 0.683 20 0 BCADLO O=C([O-])N[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000834176223 587748002 /nfs/dbraw/zinc/74/80/02/587748002.db2.gz RKNISWINHXBXMM-UWVGGRQHSA-N 1 2 238.291 0.661 20 0 BCADLO O=C([O-])NC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834226626 587749226 /nfs/dbraw/zinc/74/92/26/587749226.db2.gz ZNMQZJAQKNOWRA-SNVBAGLBSA-N 1 2 238.291 0.473 20 0 BCADLO O=C([O-])NC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834226626 587749227 /nfs/dbraw/zinc/74/92/27/587749227.db2.gz ZNMQZJAQKNOWRA-SNVBAGLBSA-N 1 2 238.291 0.473 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(OC)OC ZINC000834419431 587754835 /nfs/dbraw/zinc/75/48/35/587754835.db2.gz WVCXSVPVISKWLN-SECBINFHSA-N 1 2 241.291 0.397 20 0 BCADLO CC(C)(O)CONC(=O)CCc1[nH]cc[nH+]1 ZINC000834622151 587761674 /nfs/dbraw/zinc/76/16/74/587761674.db2.gz QNXJLWNSEDWEPP-UHFFFAOYSA-N 1 2 227.264 0.161 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000867121013 587799481 /nfs/dbraw/zinc/79/94/81/587799481.db2.gz KBPIONXLEYQBQK-KKZNHRDASA-N 1 2 237.303 0.948 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)F ZINC000121410680 587804621 /nfs/dbraw/zinc/80/46/21/587804621.db2.gz XTSPOEOKVAIOHC-UHFFFAOYSA-N 1 2 213.256 0.827 20 0 BCADLO CC(F)(F)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836236667 587829391 /nfs/dbraw/zinc/82/93/91/587829391.db2.gz SELZNAAOBKDWEM-DTORHVGOSA-N 1 2 248.273 0.621 20 0 BCADLO CC(F)(F)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836236667 587829392 /nfs/dbraw/zinc/82/93/92/587829392.db2.gz SELZNAAOBKDWEM-DTORHVGOSA-N 1 2 248.273 0.621 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](O)C(C)(C)C ZINC000836807701 587838354 /nfs/dbraw/zinc/83/83/54/587838354.db2.gz MSYRCYVJXXOKMT-JTQLQIEISA-N 1 2 239.319 0.926 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866495 587840416 /nfs/dbraw/zinc/84/04/16/587840416.db2.gz PWYLVCGXDPZHER-MCDZVTHESA-N 1 2 238.331 0.932 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866495 587840417 /nfs/dbraw/zinc/84/04/17/587840417.db2.gz PWYLVCGXDPZHER-MCDZVTHESA-N 1 2 238.331 0.932 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)c1cccc2[nH+]ccn21 ZINC000837274573 587862882 /nfs/dbraw/zinc/86/28/82/587862882.db2.gz HHMANSMFBTVDSJ-MWLCHTKSSA-N 1 2 245.282 0.978 20 0 BCADLO CC(C)[C@@H]1CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867231086 587876045 /nfs/dbraw/zinc/87/60/45/587876045.db2.gz ZICJXAKHHBXFTG-VHSXEESVSA-N 1 2 223.276 0.700 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CCOC2)C1 ZINC000837545405 587881067 /nfs/dbraw/zinc/88/10/67/587881067.db2.gz FPRZKMWOSBBJQE-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CCOC2)C1 ZINC000837545405 587881068 /nfs/dbraw/zinc/88/10/68/587881068.db2.gz FPRZKMWOSBBJQE-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000837976117 587907079 /nfs/dbraw/zinc/90/70/79/587907079.db2.gz KHHNQRQCYIUCFA-GHMZBOCLSA-N 1 2 227.304 0.908 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](C[C@@H](O)C2CC2)C1 ZINC000840767603 587920874 /nfs/dbraw/zinc/92/08/74/587920874.db2.gz XBNMZCRTMNJIEF-LLVKDONJSA-N 1 2 242.319 0.576 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC=CCC1 ZINC000867262907 587955742 /nfs/dbraw/zinc/95/57/42/587955742.db2.gz BWWFPRFGSNUPRW-VIFPVBQESA-N 1 2 207.233 0.232 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841686644 587972142 /nfs/dbraw/zinc/97/21/42/587972142.db2.gz RITOIRIPHXPCRB-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H]1CCOCC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841686644 587972143 /nfs/dbraw/zinc/97/21/43/587972143.db2.gz RITOIRIPHXPCRB-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841680435 587972390 /nfs/dbraw/zinc/97/23/90/587972390.db2.gz ITMDODFFVMMHDP-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1COCCC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841680435 587972391 /nfs/dbraw/zinc/97/23/91/587972391.db2.gz ITMDODFFVMMHDP-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cccc(F)n1 ZINC000121519996 587974960 /nfs/dbraw/zinc/97/49/60/587974960.db2.gz KMSXCDJOLVJTIL-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO CC[C@@H](CO[NH+]=C(N)CN1CCOCC1)OC ZINC000842030047 587988071 /nfs/dbraw/zinc/98/80/71/587988071.db2.gz YEFVBZOJDDJYAN-JTQLQIEISA-N 1 2 245.323 0.242 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)Cc1cccnc1 ZINC000842036523 587991868 /nfs/dbraw/zinc/99/18/68/587991868.db2.gz MPLPZURENGHUDN-SECBINFHSA-N 1 2 223.276 0.893 20 0 BCADLO COc1nccc(CO[NH+]=C(N)[C@@H](C)OC)n1 ZINC000842036329 587991874 /nfs/dbraw/zinc/99/18/74/587991874.db2.gz LVEACDCOZJFKDG-SSDOTTSWSA-N 1 2 240.263 0.519 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1CCSC1=S ZINC000842631170 588047004 /nfs/dbraw/zinc/04/70/04/588047004.db2.gz KTBVRAUEZBMOGA-UHFFFAOYSA-N 1 2 247.389 0.346 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1CCSC1=S ZINC000842631170 588047006 /nfs/dbraw/zinc/04/70/06/588047006.db2.gz KTBVRAUEZBMOGA-UHFFFAOYSA-N 1 2 247.389 0.346 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1CCC(C)(C)C1=O ZINC000842635450 588047696 /nfs/dbraw/zinc/04/76/96/588047696.db2.gz NQAZMRXJNDSPKY-UHFFFAOYSA-N 1 2 241.335 0.270 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1CCC(C)(C)C1=O ZINC000842635450 588047698 /nfs/dbraw/zinc/04/76/98/588047698.db2.gz NQAZMRXJNDSPKY-UHFFFAOYSA-N 1 2 241.335 0.270 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCC1=CCCC1 ZINC000842647817 588048482 /nfs/dbraw/zinc/04/84/82/588048482.db2.gz GNCGQTJEMIILSI-UHFFFAOYSA-N 1 2 239.319 0.927 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842654947 588050067 /nfs/dbraw/zinc/05/00/67/588050067.db2.gz AGLDCFQPJNBYKC-NXEZZACHSA-N 1 2 246.307 0.715 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661214 588050818 /nfs/dbraw/zinc/05/08/18/588050818.db2.gz MFMFRYOKKZNMKQ-UWVGGRQHSA-N 1 2 246.307 0.573 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cncn1C ZINC000842708154 588054758 /nfs/dbraw/zinc/05/47/58/588054758.db2.gz OPQJDNPTCIAXSA-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO COc1ncncc1CNCc1c[nH+]cn1C ZINC000842708154 588054759 /nfs/dbraw/zinc/05/47/59/588054759.db2.gz OPQJDNPTCIAXSA-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC(=O)C1 ZINC000842726339 588056600 /nfs/dbraw/zinc/05/66/00/588056600.db2.gz XEFXUBFIDKJGDD-MRVPVSSYSA-N 1 2 222.244 0.833 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1[nH]ncc1C ZINC000842768613 588061413 /nfs/dbraw/zinc/06/14/13/588061413.db2.gz CNZLFBHHAKFQFG-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000842768613 588061414 /nfs/dbraw/zinc/06/14/14/588061414.db2.gz CNZLFBHHAKFQFG-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(C)=O ZINC000842965323 588073389 /nfs/dbraw/zinc/07/33/89/588073389.db2.gz NUNSJDIJZUMAFQ-ONGXEEELSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(C)=O ZINC000842965323 588073390 /nfs/dbraw/zinc/07/33/90/588073390.db2.gz NUNSJDIJZUMAFQ-ONGXEEELSA-N 1 2 231.292 0.285 20 0 BCADLO Nc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000843119647 588083539 /nfs/dbraw/zinc/08/35/39/588083539.db2.gz ZBGRPTUMFMEIAL-JTQLQIEISA-N 1 2 248.286 0.300 20 0 BCADLO Nc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000843119647 588083540 /nfs/dbraw/zinc/08/35/40/588083540.db2.gz ZBGRPTUMFMEIAL-JTQLQIEISA-N 1 2 248.286 0.300 20 0 BCADLO CC[NH2+]Cc1noc([C@H]2CN(CC)CCO2)n1 ZINC000843142720 588086051 /nfs/dbraw/zinc/08/60/51/588086051.db2.gz HHBAMFAVNIWOEF-SECBINFHSA-N 1 2 240.307 0.572 20 0 BCADLO CC[NH2+]Cc1noc(CCc2ccncn2)n1 ZINC000843140765 588086110 /nfs/dbraw/zinc/08/61/10/588086110.db2.gz CVNPOBYAEHZHET-UHFFFAOYSA-N 1 2 233.275 0.754 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000843402332 588106399 /nfs/dbraw/zinc/10/63/99/588106399.db2.gz BVXYUGBWRSWFTF-HTQZYQBOSA-N 1 2 226.280 0.403 20 0 BCADLO c1c[nH]c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)n1 ZINC000843414704 588107271 /nfs/dbraw/zinc/10/72/71/588107271.db2.gz BMUXAUBTXPWBDC-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1c[nH]c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)n1 ZINC000843414704 588107272 /nfs/dbraw/zinc/10/72/72/588107272.db2.gz BMUXAUBTXPWBDC-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1c[nH+]c(CN2CC[C@@H](Nc3ncccn3)C2)[nH]1 ZINC000843414704 588107273 /nfs/dbraw/zinc/10/72/73/588107273.db2.gz BMUXAUBTXPWBDC-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)C2(F)CC2)CC1 ZINC000843794900 588140788 /nfs/dbraw/zinc/14/07/88/588140788.db2.gz YNFLEKBLARWDAP-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO C[C@@H](NC(=O)C1(F)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000843791168 588140861 /nfs/dbraw/zinc/14/08/61/588140861.db2.gz OSKUDPBXQZYDPR-ZJUUUORDSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCC(=O)C2)CC[N@@H+]1C ZINC000843806037 588141837 /nfs/dbraw/zinc/14/18/37/588141837.db2.gz LMGDQEXWZQSZMP-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCC(=O)C2)CC[N@H+]1C ZINC000843806037 588141838 /nfs/dbraw/zinc/14/18/38/588141838.db2.gz LMGDQEXWZQSZMP-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC(=O)C1 ZINC000843883533 588147221 /nfs/dbraw/zinc/14/72/21/588147221.db2.gz HIDGVOPYAFTMST-VHSXEESVSA-N 1 2 247.298 0.683 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC(=O)C1 ZINC000843883534 588147356 /nfs/dbraw/zinc/14/73/56/588147356.db2.gz HIDGVOPYAFTMST-ZJUUUORDSA-N 1 2 247.298 0.683 20 0 BCADLO CCCONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000844085704 588163650 /nfs/dbraw/zinc/16/36/50/588163650.db2.gz JVQSXTSZXMPZFU-SECBINFHSA-N 1 2 223.276 0.903 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844275742 588179488 /nfs/dbraw/zinc/17/94/88/588179488.db2.gz GYKCYHPQFBCBJW-GXSJLCMTSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844275742 588179489 /nfs/dbraw/zinc/17/94/89/588179489.db2.gz GYKCYHPQFBCBJW-GXSJLCMTSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844275744 588179561 /nfs/dbraw/zinc/17/95/61/588179561.db2.gz GYKCYHPQFBCBJW-MWLCHTKSSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844275744 588179562 /nfs/dbraw/zinc/17/95/62/588179562.db2.gz GYKCYHPQFBCBJW-MWLCHTKSSA-N 1 2 240.303 0.690 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)[C@H]1CCCOC1 ZINC000844400774 588190157 /nfs/dbraw/zinc/19/01/57/588190157.db2.gz DXUYHFTYACIPEC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)[C@H]1CCCOC1 ZINC000844400774 588190159 /nfs/dbraw/zinc/19/01/59/588190159.db2.gz DXUYHFTYACIPEC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458219 588196410 /nfs/dbraw/zinc/19/64/10/588196410.db2.gz NHCDCYCCDDRKMJ-QYNIQEEDSA-N 1 2 229.234 0.468 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458219 588196411 /nfs/dbraw/zinc/19/64/11/588196411.db2.gz NHCDCYCCDDRKMJ-QYNIQEEDSA-N 1 2 229.234 0.468 20 0 BCADLO COC/C(C)=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000844561869 588202767 /nfs/dbraw/zinc/20/27/67/588202767.db2.gz AHJWEUKPFWSUAL-UXBLZVDNSA-N 1 2 237.303 0.672 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)CCOC ZINC000844633233 588211950 /nfs/dbraw/zinc/21/19/50/588211950.db2.gz ZNERPIQCWQQTOO-MRVPVSSYSA-N 1 2 204.270 0.069 20 0 BCADLO Cc1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c(=O)n1C ZINC000844696353 588214201 /nfs/dbraw/zinc/21/42/01/588214201.db2.gz IILNXTFNVWDEHF-SECBINFHSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c(=O)n1C ZINC000844696353 588214202 /nfs/dbraw/zinc/21/42/02/588214202.db2.gz IILNXTFNVWDEHF-SECBINFHSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@@H+]2CCCC3(CC3)C2)c(=O)n1C ZINC000844700934 588214521 /nfs/dbraw/zinc/21/45/21/588214521.db2.gz DAHQKDHQAIOSQQ-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO Cc1nn(C[N@H+]2CCCC3(CC3)C2)c(=O)n1C ZINC000844700934 588214522 /nfs/dbraw/zinc/21/45/22/588214522.db2.gz DAHQKDHQAIOSQQ-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO CS[C@@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709613 588214702 /nfs/dbraw/zinc/21/47/02/588214702.db2.gz SYFRNQZHSZHDTR-SECBINFHSA-N 1 2 242.348 0.285 20 0 BCADLO CS[C@@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709613 588214704 /nfs/dbraw/zinc/21/47/04/588214704.db2.gz SYFRNQZHSZHDTR-SECBINFHSA-N 1 2 242.348 0.285 20 0 BCADLO CC[C@H]1C[N@H+](Cn2cnnc2)[C@H](C)CO1 ZINC000844729756 588215189 /nfs/dbraw/zinc/21/51/89/588215189.db2.gz KXUCELOKUIMWOI-ZJUUUORDSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@H]1C[N@@H+](Cn2cnnc2)[C@H](C)CO1 ZINC000844729756 588215190 /nfs/dbraw/zinc/21/51/90/588215190.db2.gz KXUCELOKUIMWOI-ZJUUUORDSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1=O ZINC000844749214 588215962 /nfs/dbraw/zinc/21/59/62/588215962.db2.gz WEZUPOPQKQFMLS-MLQVYSHPSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@H]1CCN(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1=O ZINC000844749214 588215963 /nfs/dbraw/zinc/21/59/63/588215963.db2.gz WEZUPOPQKQFMLS-MLQVYSHPSA-N 1 2 242.344 0.018 20 0 BCADLO COC/C(C)=C\C(=O)OCC[NH+]1CCOCC1 ZINC000845239964 588224506 /nfs/dbraw/zinc/22/45/06/588224506.db2.gz AYEBQIGVGGNUFZ-LUAWRHEFSA-N 1 2 243.303 0.455 20 0 BCADLO C[C@@H](CC(=O)OCC(=O)N(C)C)n1cc[nH+]c1 ZINC000845276849 588225164 /nfs/dbraw/zinc/22/51/64/588225164.db2.gz CLDVTNQIJSWHFC-VIFPVBQESA-N 1 2 239.275 0.466 20 0 BCADLO COC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845275073 588225250 /nfs/dbraw/zinc/22/52/50/588225250.db2.gz CKDQAFYJTJYTKW-MRVPVSSYSA-N 1 2 226.232 0.550 20 0 BCADLO Cc1cc(NCCn2cnnn2)nc(C2CC2)[nH+]1 ZINC000845575733 588233845 /nfs/dbraw/zinc/23/38/45/588233845.db2.gz YTYVBLOXKLDCIM-UHFFFAOYSA-N 1 2 245.290 0.761 20 0 BCADLO CCON(C)C(=O)CNc1cc(CC)[nH+]cn1 ZINC000845714676 588242061 /nfs/dbraw/zinc/24/20/61/588242061.db2.gz CXAMOXXKXMJZAK-UHFFFAOYSA-N 1 2 238.291 0.861 20 0 BCADLO C[C@@H](CC(=O)N[C@@H](CO)C1CC1)n1cc[nH+]c1 ZINC000845908439 588250082 /nfs/dbraw/zinc/25/00/82/588250082.db2.gz KRNVDRNVNSRTNX-ONGXEEELSA-N 1 2 237.303 0.721 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H]2C[C@]2(CO)C1)n1cc[nH+]c1 ZINC000845991981 588252917 /nfs/dbraw/zinc/25/29/17/588252917.db2.gz YLHACUQUPQUWOZ-NTZNESFSSA-N 1 2 249.314 0.675 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nccs1 ZINC000846062821 588254921 /nfs/dbraw/zinc/25/49/21/588254921.db2.gz NUHVNKQTCHWAPU-UHFFFAOYSA-N 1 2 229.305 0.643 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000846080727 588255651 /nfs/dbraw/zinc/25/56/51/588255651.db2.gz JSTVCHNDKDELAS-JTQLQIEISA-N 1 2 242.319 0.745 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H]1CC ZINC000846090958 588256346 /nfs/dbraw/zinc/25/63/46/588256346.db2.gz GPWOSGASOAGZNP-RKDXNWHRSA-N 1 2 200.282 0.832 20 0 BCADLO C[C@H](CC(=O)NOC(C)(C)CO)n1cc[nH+]c1 ZINC000846236801 588262274 /nfs/dbraw/zinc/26/22/74/588262274.db2.gz CDSAKGRYZKFJTI-SECBINFHSA-N 1 2 241.291 0.653 20 0 BCADLO COC/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247246 588262496 /nfs/dbraw/zinc/26/24/96/588262496.db2.gz QIADRAOLROKOLW-SNAWJCMRSA-N 1 2 223.276 0.964 20 0 BCADLO C[C@@H](CC(=O)NOCC(C)(C)O)n1cc[nH+]c1 ZINC000846642699 588280641 /nfs/dbraw/zinc/28/06/41/588280641.db2.gz MVOLNCAQKMYNAY-VIFPVBQESA-N 1 2 241.291 0.653 20 0 BCADLO [NH3+]CC(F)(F)CC(=O)NOCC(F)(F)F ZINC000846673289 588282052 /nfs/dbraw/zinc/28/20/52/588282052.db2.gz VATKILAQNKVIPW-UHFFFAOYSA-N 1 2 236.140 0.581 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846816616 588290958 /nfs/dbraw/zinc/29/09/58/588290958.db2.gz JKHZVDJUPPIGJU-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846816616 588290959 /nfs/dbraw/zinc/29/09/59/588290959.db2.gz JKHZVDJUPPIGJU-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO NC(=O)C1([NH2+]Cc2cnsn2)CCCC1 ZINC000846827865 588291046 /nfs/dbraw/zinc/29/10/46/588291046.db2.gz HDSLVDPBFLYNCB-UHFFFAOYSA-N 1 2 226.305 0.426 20 0 BCADLO COCC[C@]1([NH2+]Cc2cnsn2)CCOC1 ZINC000846880902 588295112 /nfs/dbraw/zinc/29/51/12/588295112.db2.gz ZTPICRRHPHKSKY-JTQLQIEISA-N 1 2 243.332 0.823 20 0 BCADLO COC[C@H]([NH2+]Cc1cnsn1)[C@H]1CCCO1 ZINC000846880061 588295187 /nfs/dbraw/zinc/29/51/87/588295187.db2.gz QHGUKBSARGEIIK-VHSXEESVSA-N 1 2 243.332 0.822 20 0 BCADLO OCC[C@H]1CN(CCF)CC[N@@H+]1CCF ZINC000846925773 588297117 /nfs/dbraw/zinc/29/71/17/588297117.db2.gz PKJSAFOHKBCUKR-JTQLQIEISA-N 1 2 222.279 0.294 20 0 BCADLO OCC[C@H]1CN(CCF)CC[N@H+]1CCF ZINC000846925773 588297118 /nfs/dbraw/zinc/29/71/18/588297118.db2.gz PKJSAFOHKBCUKR-JTQLQIEISA-N 1 2 222.279 0.294 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1cnsn1)C(C)C ZINC000846925116 588297184 /nfs/dbraw/zinc/29/71/84/588297184.db2.gz JXDZUUVROUNNLB-VIFPVBQESA-N 1 2 242.348 0.788 20 0 BCADLO FCCN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000846932511 588297625 /nfs/dbraw/zinc/29/76/25/588297625.db2.gz BZJHOZMOVOOOQM-LLVKDONJSA-N 1 2 216.300 0.753 20 0 BCADLO CON1CC[NH+](CCc2cscn2)CC1 ZINC000846972909 588298661 /nfs/dbraw/zinc/29/86/61/588298661.db2.gz VEGGNDYTZUGJAM-UHFFFAOYSA-N 1 2 227.333 0.865 20 0 BCADLO CON1CC[NH+](Cc2cc(C)no2)CC1 ZINC000846972863 588298971 /nfs/dbraw/zinc/29/89/71/588298971.db2.gz SKMMWFQVRJJRGH-UHFFFAOYSA-N 1 2 211.265 0.662 20 0 BCADLO CON1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000846973600 588299413 /nfs/dbraw/zinc/29/94/13/588299413.db2.gz APVNCTZMJYWDOZ-UHFFFAOYSA-N 1 2 244.726 0.716 20 0 BCADLO COc1cc(C[NH+]2CCN(OC)CC2)ccn1 ZINC000846978699 588300127 /nfs/dbraw/zinc/30/01/27/588300127.db2.gz NGCAGHDRSOIDCS-UHFFFAOYSA-N 1 2 237.303 0.769 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846982537 588300200 /nfs/dbraw/zinc/30/02/00/588300200.db2.gz HZAGNEOVYIBTNM-SNVBAGLBSA-N 1 2 229.324 0.080 20 0 BCADLO C[N@H+](CN1CCSC1=S)[C@H]1CCOC1 ZINC000106857814 588313213 /nfs/dbraw/zinc/31/32/13/588313213.db2.gz QPMLQZDKIXDOTB-QMMMGPOBSA-N 1 2 232.374 0.998 20 0 BCADLO C[N@@H+](CN1CCSC1=S)[C@H]1CCOC1 ZINC000106857814 588313214 /nfs/dbraw/zinc/31/32/14/588313214.db2.gz QPMLQZDKIXDOTB-QMMMGPOBSA-N 1 2 232.374 0.998 20 0 BCADLO Cc1nonc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847505295 588314754 /nfs/dbraw/zinc/31/47/54/588314754.db2.gz VSSMKIZNIGLRET-SSDOTTSWSA-N 1 2 249.274 0.596 20 0 BCADLO Cc1nonc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847505295 588314757 /nfs/dbraw/zinc/31/47/57/588314757.db2.gz VSSMKIZNIGLRET-SSDOTTSWSA-N 1 2 249.274 0.596 20 0 BCADLO COCCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847547838 588316711 /nfs/dbraw/zinc/31/67/11/588316711.db2.gz ACLJFKLFFJZEMV-MRVPVSSYSA-N 1 2 227.264 0.283 20 0 BCADLO COCCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847547838 588316714 /nfs/dbraw/zinc/31/67/14/588316714.db2.gz ACLJFKLFFJZEMV-MRVPVSSYSA-N 1 2 227.264 0.283 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000106936818 588316885 /nfs/dbraw/zinc/31/68/85/588316885.db2.gz NBBOADKJJLLMCV-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000106936818 588316887 /nfs/dbraw/zinc/31/68/87/588316887.db2.gz NBBOADKJJLLMCV-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCC(F)F ZINC000847735886 588328341 /nfs/dbraw/zinc/32/83/41/588328341.db2.gz YAQVHCZOJUTSFI-ZCFIWIBFSA-N 1 2 233.218 0.901 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCC(F)F ZINC000847735886 588328342 /nfs/dbraw/zinc/32/83/42/588328342.db2.gz YAQVHCZOJUTSFI-ZCFIWIBFSA-N 1 2 233.218 0.901 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC(C)(C)CO ZINC000848163223 588363235 /nfs/dbraw/zinc/36/32/35/588363235.db2.gz YBMZTLZXLBNMNH-QMMMGPOBSA-N 1 2 241.291 0.407 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC(C)(C)CO ZINC000848163223 588363237 /nfs/dbraw/zinc/36/32/37/588363237.db2.gz YBMZTLZXLBNMNH-QMMMGPOBSA-N 1 2 241.291 0.407 20 0 BCADLO COc1c(C)[nH+]cnc1NCc1cnnn1C ZINC000848707045 588407145 /nfs/dbraw/zinc/40/71/45/588407145.db2.gz KXPCDAHBZUYCIN-UHFFFAOYSA-N 1 2 234.263 0.534 20 0 BCADLO COC(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780207 588413513 /nfs/dbraw/zinc/41/35/13/588413513.db2.gz NMZUEOHQCHRPDW-UHFFFAOYSA-N 1 2 248.238 0.973 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)OCCO)ccn12 ZINC000848779991 588413710 /nfs/dbraw/zinc/41/37/10/588413710.db2.gz DICXXFZFFFFIIL-UHFFFAOYSA-N 1 2 220.228 0.792 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848880789 588416021 /nfs/dbraw/zinc/41/60/21/588416021.db2.gz SDBJUYPDVNTYNY-UHFFFAOYSA-N 1 2 244.726 0.769 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848880789 588416022 /nfs/dbraw/zinc/41/60/22/588416022.db2.gz SDBJUYPDVNTYNY-UHFFFAOYSA-N 1 2 244.726 0.769 20 0 BCADLO Cn1c(C[N@H+](C)[C@H]2CCNC2=O)cnc1Cl ZINC000848889470 588417570 /nfs/dbraw/zinc/41/75/70/588417570.db2.gz JNMIVPQMTQFKPO-QMMMGPOBSA-N 1 2 242.710 0.394 20 0 BCADLO Cn1c(C[N@@H+](C)[C@H]2CCNC2=O)cnc1Cl ZINC000848889470 588417571 /nfs/dbraw/zinc/41/75/71/588417571.db2.gz JNMIVPQMTQFKPO-QMMMGPOBSA-N 1 2 242.710 0.394 20 0 BCADLO CCc1nnc(NCCC[NH+]2CCOCC2)o1 ZINC000849157022 588457146 /nfs/dbraw/zinc/45/71/46/588457146.db2.gz IPXFXTDSNQIOGD-UHFFFAOYSA-N 1 2 240.307 0.766 20 0 BCADLO CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849282788 588469788 /nfs/dbraw/zinc/46/97/88/588469788.db2.gz WBOMFZTUAZUGMB-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849282788 588469789 /nfs/dbraw/zinc/46/97/89/588469789.db2.gz WBOMFZTUAZUGMB-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCOC1=O)C1CCOCC1 ZINC000849321537 588472085 /nfs/dbraw/zinc/47/20/85/588472085.db2.gz HOBUXLJGUYUYMT-GHMZBOCLSA-N 1 2 243.303 0.333 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC[C@H]2O)n1 ZINC000850332906 588537603 /nfs/dbraw/zinc/53/76/03/588537603.db2.gz YQJMNKFWWORYPE-HTQZYQBOSA-N 1 2 225.296 0.041 20 0 BCADLO Nc1ccc(NC(=O)C(=O)N[C@@H]2C=CCC2)c[nH+]1 ZINC000850834475 588569421 /nfs/dbraw/zinc/56/94/21/588569421.db2.gz JWVWSWDDHNKXPL-MRVPVSSYSA-N 1 2 246.270 0.437 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851714818 588615879 /nfs/dbraw/zinc/61/58/79/588615879.db2.gz ULLVYIPPJOFGQC-SECBINFHSA-N 1 2 239.275 0.845 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851714818 588615880 /nfs/dbraw/zinc/61/58/80/588615880.db2.gz ULLVYIPPJOFGQC-SECBINFHSA-N 1 2 239.275 0.845 20 0 BCADLO c1coc(C[NH+]2CCN(Cc3cnon3)CC2)c1 ZINC000851718208 588616138 /nfs/dbraw/zinc/61/61/38/588616138.db2.gz VSHRGIUGTQXTJX-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(F)n1 ZINC000851725697 588618003 /nfs/dbraw/zinc/61/80/03/588618003.db2.gz HJWPHBPHMOXUJT-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(F)n1 ZINC000851725697 588618004 /nfs/dbraw/zinc/61/80/04/588618004.db2.gz HJWPHBPHMOXUJT-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000851729461 588618781 /nfs/dbraw/zinc/61/87/81/588618781.db2.gz AZYUIPCYXMWOTH-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000851729461 588618782 /nfs/dbraw/zinc/61/87/82/588618782.db2.gz AZYUIPCYXMWOTH-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO CCn1ncc(C[N@H+](CCO)C2CC2)n1 ZINC000851730090 588618904 /nfs/dbraw/zinc/61/89/04/588618904.db2.gz UOKKMLOPZSYULL-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@@H+](CCO)C2CC2)n1 ZINC000851730090 588618905 /nfs/dbraw/zinc/61/89/05/588618905.db2.gz UOKKMLOPZSYULL-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO COC(=O)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000851731019 588619420 /nfs/dbraw/zinc/61/94/20/588619420.db2.gz IXOKZDASURUAIO-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000851736422 588620266 /nfs/dbraw/zinc/62/02/66/588620266.db2.gz KPQOIEMVYXOOCU-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000851736422 588620267 /nfs/dbraw/zinc/62/02/67/588620267.db2.gz KPQOIEMVYXOOCU-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cnn(CC)n1 ZINC000851748074 588622504 /nfs/dbraw/zinc/62/25/04/588622504.db2.gz ZUIVRSZIYSIPIK-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnn(CC)n1 ZINC000851748074 588622505 /nfs/dbraw/zinc/62/25/05/588622505.db2.gz ZUIVRSZIYSIPIK-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO O=C1C[N@H+](Cc2cc(C3CC3)no2)CCCN1 ZINC000851748949 588622629 /nfs/dbraw/zinc/62/26/29/588622629.db2.gz YRPBXDYOGVPXIN-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO O=C1C[N@@H+](Cc2cc(C3CC3)no2)CCCN1 ZINC000851748949 588622630 /nfs/dbraw/zinc/62/26/30/588622630.db2.gz YRPBXDYOGVPXIN-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCOC(F)F ZINC000851753487 588623638 /nfs/dbraw/zinc/62/36/38/588623638.db2.gz XEJKUWPSPYPMEZ-SSDOTTSWSA-N 1 2 223.219 0.863 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCOC(F)F ZINC000851753487 588623639 /nfs/dbraw/zinc/62/36/39/588623639.db2.gz XEJKUWPSPYPMEZ-SSDOTTSWSA-N 1 2 223.219 0.863 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1COC(C)(C)O1 ZINC000851768291 588624885 /nfs/dbraw/zinc/62/48/85/588624885.db2.gz KVMNTVWOYPZVGQ-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1COC(C)(C)O1 ZINC000851768291 588624886 /nfs/dbraw/zinc/62/48/86/588624886.db2.gz KVMNTVWOYPZVGQ-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851768007 588625191 /nfs/dbraw/zinc/62/51/91/588625191.db2.gz ILNRAZSHJPKKBI-DTWKUNHWSA-N 1 2 249.332 0.057 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851768007 588625192 /nfs/dbraw/zinc/62/51/92/588625192.db2.gz ILNRAZSHJPKKBI-DTWKUNHWSA-N 1 2 249.332 0.057 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCNC(=O)C2(C)C)O1 ZINC000851772321 588625962 /nfs/dbraw/zinc/62/59/62/588625962.db2.gz DPFLACUQJKAADQ-SECBINFHSA-N 1 2 242.319 0.348 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCNC(=O)C2(C)C)O1 ZINC000851772321 588625963 /nfs/dbraw/zinc/62/59/63/588625963.db2.gz DPFLACUQJKAADQ-SECBINFHSA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851778164 588626911 /nfs/dbraw/zinc/62/69/11/588626911.db2.gz DZTBRRJNLMGRFD-NXEZZACHSA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851778164 588626912 /nfs/dbraw/zinc/62/69/12/588626912.db2.gz DZTBRRJNLMGRFD-NXEZZACHSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851802932 588630649 /nfs/dbraw/zinc/63/06/49/588630649.db2.gz NOJKINSYWQQTHL-SECBINFHSA-N 1 2 227.260 0.329 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851802932 588630650 /nfs/dbraw/zinc/63/06/50/588630650.db2.gz NOJKINSYWQQTHL-SECBINFHSA-N 1 2 227.260 0.329 20 0 BCADLO c1nnc(C2CC[NH+](Cc3cnon3)CC2)[nH]1 ZINC000851805004 588631114 /nfs/dbraw/zinc/63/11/14/588631114.db2.gz JRURICQYFALQLY-UHFFFAOYSA-N 1 2 234.263 0.567 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851810535 588632228 /nfs/dbraw/zinc/63/22/28/588632228.db2.gz IJPHNBAZKXCZHF-ZJUUUORDSA-N 1 2 243.303 0.964 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851810535 588632229 /nfs/dbraw/zinc/63/22/29/588632229.db2.gz IJPHNBAZKXCZHF-ZJUUUORDSA-N 1 2 243.303 0.964 20 0 BCADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cnon3)C2)[nH]1 ZINC000851810459 588632290 /nfs/dbraw/zinc/63/22/90/588632290.db2.gz FWYQAHNNOVISRV-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cnon3)C2)[nH]1 ZINC000851810459 588632291 /nfs/dbraw/zinc/63/22/91/588632291.db2.gz FWYQAHNNOVISRV-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000851810459 588632292 /nfs/dbraw/zinc/63/22/92/588632292.db2.gz FWYQAHNNOVISRV-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000851810459 588632293 /nfs/dbraw/zinc/63/22/93/588632293.db2.gz FWYQAHNNOVISRV-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOC(F)F ZINC000851812553 588632816 /nfs/dbraw/zinc/63/28/16/588632816.db2.gz KJKUFNRSSSGJTR-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOC(F)F ZINC000851812553 588632817 /nfs/dbraw/zinc/63/28/17/588632817.db2.gz KJKUFNRSSSGJTR-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO CCn1ncc(C[NH2+]C2(C(N)=O)CCCC2)n1 ZINC000851848131 588634575 /nfs/dbraw/zinc/63/45/75/588634575.db2.gz ZBASYGIOEXMNBH-UHFFFAOYSA-N 1 2 237.307 0.186 20 0 BCADLO NC(=O)C1([NH2+]Cc2csnn2)CCCC1 ZINC000851847573 588634763 /nfs/dbraw/zinc/63/47/63/588634763.db2.gz UVAUKENAQJJWCQ-UHFFFAOYSA-N 1 2 226.305 0.426 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851858548 588635732 /nfs/dbraw/zinc/63/57/32/588635732.db2.gz BZTCYOZXJOBVSE-VIFPVBQESA-N 1 2 225.248 0.597 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC000851858548 588635733 /nfs/dbraw/zinc/63/57/33/588635733.db2.gz BZTCYOZXJOBVSE-VIFPVBQESA-N 1 2 225.248 0.597 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC(=O)O1 ZINC000851874040 588638078 /nfs/dbraw/zinc/63/80/78/588638078.db2.gz YSGYFTJVFBHQHM-MRVPVSSYSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC(=O)O1 ZINC000851874040 588638079 /nfs/dbraw/zinc/63/80/79/588638079.db2.gz YSGYFTJVFBHQHM-MRVPVSSYSA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H]1CCC(=O)O1 ZINC000851874040 588638080 /nfs/dbraw/zinc/63/80/80/588638080.db2.gz YSGYFTJVFBHQHM-MRVPVSSYSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](CCC1OCCCO1)Cc1ncc[nH]1 ZINC000851875074 588638219 /nfs/dbraw/zinc/63/82/19/588638219.db2.gz MEQHELGYAPDLKK-UHFFFAOYSA-N 1 2 225.292 0.995 20 0 BCADLO C[N@@H+](CCC1OCCCO1)Cc1ncc[nH]1 ZINC000851875074 588638220 /nfs/dbraw/zinc/63/82/20/588638220.db2.gz MEQHELGYAPDLKK-UHFFFAOYSA-N 1 2 225.292 0.995 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000851881926 588639631 /nfs/dbraw/zinc/63/96/31/588639631.db2.gz QTZMZTZVAMSWEO-PSASIEDQSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000851881926 588639632 /nfs/dbraw/zinc/63/96/32/588639632.db2.gz QTZMZTZVAMSWEO-PSASIEDQSA-N 1 2 210.281 0.253 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1cnon1 ZINC000851889469 588640287 /nfs/dbraw/zinc/64/02/87/588640287.db2.gz JZVJCUDVJYIOPG-UHFFFAOYSA-N 1 2 219.248 0.534 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1cnon1 ZINC000851889469 588640288 /nfs/dbraw/zinc/64/02/88/588640288.db2.gz JZVJCUDVJYIOPG-UHFFFAOYSA-N 1 2 219.248 0.534 20 0 BCADLO CC(C)N1CC[N@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000851911366 588642713 /nfs/dbraw/zinc/64/27/13/588642713.db2.gz ATIXHSIOPWLNNT-JTQLQIEISA-N 1 2 240.303 0.245 20 0 BCADLO CC(C)N1CC[N@@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000851911366 588642714 /nfs/dbraw/zinc/64/27/14/588642714.db2.gz ATIXHSIOPWLNNT-JTQLQIEISA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851927168 588644669 /nfs/dbraw/zinc/64/46/69/588644669.db2.gz HIWVTJSGBILLGX-ZJUUUORDSA-N 1 2 245.319 0.925 20 0 BCADLO CCn1ncc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000851931513 588644930 /nfs/dbraw/zinc/64/49/30/588644930.db2.gz VKXCNMYFIVBCQA-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000851953801 588647511 /nfs/dbraw/zinc/64/75/11/588647511.db2.gz KIPXOVQJFXVSIL-LLVKDONJSA-N 1 2 247.306 0.337 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000851953801 588647512 /nfs/dbraw/zinc/64/75/12/588647512.db2.gz KIPXOVQJFXVSIL-LLVKDONJSA-N 1 2 247.306 0.337 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851968279 588649080 /nfs/dbraw/zinc/64/90/80/588649080.db2.gz LTASIOJZQBTSQZ-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851968279 588649081 /nfs/dbraw/zinc/64/90/81/588649081.db2.gz LTASIOJZQBTSQZ-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000851968915 588649130 /nfs/dbraw/zinc/64/91/30/588649130.db2.gz VAZXWHUZPPFZJV-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000851968915 588649131 /nfs/dbraw/zinc/64/91/31/588649131.db2.gz VAZXWHUZPPFZJV-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1C ZINC000851970474 588649742 /nfs/dbraw/zinc/64/97/42/588649742.db2.gz GGXJFLRGOYMGPH-PSASIEDQSA-N 1 2 211.265 0.926 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1C ZINC000851970474 588649743 /nfs/dbraw/zinc/64/97/43/588649743.db2.gz GGXJFLRGOYMGPH-PSASIEDQSA-N 1 2 211.265 0.926 20 0 BCADLO FC(F)OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000851974449 588649949 /nfs/dbraw/zinc/64/99/49/588649949.db2.gz YIASLBLXAGPICE-UHFFFAOYSA-N 1 2 218.207 0.402 20 0 BCADLO FC(F)OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000851974449 588649950 /nfs/dbraw/zinc/64/99/50/588649950.db2.gz YIASLBLXAGPICE-UHFFFAOYSA-N 1 2 218.207 0.402 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(F)F)CC[S@@](=O)C1 ZINC000851987813 588652117 /nfs/dbraw/zinc/65/21/17/588652117.db2.gz QKTRCOUESHPHQL-ANRSDYALSA-N 1 2 241.303 0.926 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(F)F)CC[S@@](=O)C1 ZINC000851987813 588652118 /nfs/dbraw/zinc/65/21/18/588652118.db2.gz QKTRCOUESHPHQL-ANRSDYALSA-N 1 2 241.303 0.926 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000852003662 588654292 /nfs/dbraw/zinc/65/42/92/588654292.db2.gz AJHIIVFREOZQER-SFYZADRCSA-N 1 2 215.249 0.185 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000852003662 588654293 /nfs/dbraw/zinc/65/42/93/588654293.db2.gz AJHIIVFREOZQER-SFYZADRCSA-N 1 2 215.249 0.185 20 0 BCADLO COC[C@@H](C[N@@H+]1CCO[C@H](C(F)F)C1)OC ZINC000852016993 588655231 /nfs/dbraw/zinc/65/52/31/588655231.db2.gz PYGNPBMMXMFSAN-BDAKNGLRSA-N 1 2 239.262 0.614 20 0 BCADLO COC[C@@H](C[N@H+]1CCO[C@H](C(F)F)C1)OC ZINC000852016993 588655232 /nfs/dbraw/zinc/65/52/32/588655232.db2.gz PYGNPBMMXMFSAN-BDAKNGLRSA-N 1 2 239.262 0.614 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CC(=O)N1C ZINC000852012601 588655360 /nfs/dbraw/zinc/65/53/60/588655360.db2.gz CCRREBPAVNLDTO-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CC(=O)N1C ZINC000852012601 588655361 /nfs/dbraw/zinc/65/53/61/588655361.db2.gz CCRREBPAVNLDTO-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO CC1(C)OC[C@@H](CC[NH2+][C@]2(C)CCOC2=O)O1 ZINC000852062937 588658440 /nfs/dbraw/zinc/65/84/40/588658440.db2.gz MNRHMFCCEHDPGN-BXKDBHETSA-N 1 2 243.303 0.823 20 0 BCADLO c1nonc1CN1CCn2c[nH+]cc2C1 ZINC000852062825 588658723 /nfs/dbraw/zinc/65/87/23/588658723.db2.gz BUDARJHOSNJNQD-UHFFFAOYSA-N 1 2 205.221 0.282 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1CCc1cnn[nH]1 ZINC000852069499 588658841 /nfs/dbraw/zinc/65/88/41/588658841.db2.gz FEJINIOIEBHTHP-SECBINFHSA-N 1 2 210.281 0.192 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1CCc1cnn[nH]1 ZINC000852069499 588658842 /nfs/dbraw/zinc/65/88/42/588658842.db2.gz FEJINIOIEBHTHP-SECBINFHSA-N 1 2 210.281 0.192 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)[C@H]1CC(C)(C)OC1=O ZINC000852079459 588660406 /nfs/dbraw/zinc/66/04/06/588660406.db2.gz NDWCOLYXQIIKHL-VIFPVBQESA-N 1 2 238.291 0.373 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)[C@H]1CC(C)(C)OC1=O ZINC000852079459 588660407 /nfs/dbraw/zinc/66/04/07/588660407.db2.gz NDWCOLYXQIIKHL-VIFPVBQESA-N 1 2 238.291 0.373 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)[C@H]1CC(C)(C)OC1=O ZINC000852079459 588660408 /nfs/dbraw/zinc/66/04/08/588660408.db2.gz NDWCOLYXQIIKHL-VIFPVBQESA-N 1 2 238.291 0.373 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)[C@H]1CC(C)(C)OC1=O ZINC000852079459 588660409 /nfs/dbraw/zinc/66/04/09/588660409.db2.gz NDWCOLYXQIIKHL-VIFPVBQESA-N 1 2 238.291 0.373 20 0 BCADLO Cn1ncc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000852112954 588664510 /nfs/dbraw/zinc/66/45/10/588664510.db2.gz SOSRFBJBYHOXST-UHFFFAOYSA-N 1 2 212.297 0.265 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000852112954 588664511 /nfs/dbraw/zinc/66/45/11/588664511.db2.gz SOSRFBJBYHOXST-UHFFFAOYSA-N 1 2 212.297 0.265 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)on1 ZINC000852122882 588665320 /nfs/dbraw/zinc/66/53/20/588665320.db2.gz KPNIHAJIYWEIDY-JTQLQIEISA-N 1 2 248.229 0.885 20 0 BCADLO COc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)on1 ZINC000852122882 588665321 /nfs/dbraw/zinc/66/53/21/588665321.db2.gz KPNIHAJIYWEIDY-JTQLQIEISA-N 1 2 248.229 0.885 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000852123322 588665385 /nfs/dbraw/zinc/66/53/85/588665385.db2.gz OGNCWQYKSHDCAL-SNVBAGLBSA-N 1 2 231.246 0.622 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000852123322 588665386 /nfs/dbraw/zinc/66/53/86/588665386.db2.gz OGNCWQYKSHDCAL-SNVBAGLBSA-N 1 2 231.246 0.622 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC(C(C)=O)CC2)C1=O ZINC000852126012 588665768 /nfs/dbraw/zinc/66/57/68/588665768.db2.gz REIHIULSWKPQLU-NSHDSACASA-N 1 2 240.303 0.450 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCc1cccs1 ZINC000852158011 588668330 /nfs/dbraw/zinc/66/83/30/588668330.db2.gz QMNVAVVHKCPBKJ-NSHDSACASA-N 1 2 243.328 0.804 20 0 BCADLO CCn1ncc(C[NH2+]C2(C(=O)N(C)C)CC2)n1 ZINC000852172775 588669252 /nfs/dbraw/zinc/66/92/52/588669252.db2.gz UPTWWZOSDFYXEK-UHFFFAOYSA-N 1 2 237.307 0.008 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](O)CO)C(C)C)s1 ZINC000852186604 588670270 /nfs/dbraw/zinc/67/02/70/588670270.db2.gz GDRADEHIUQCPAX-VIFPVBQESA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](O)CO)C(C)C)s1 ZINC000852186604 588670271 /nfs/dbraw/zinc/67/02/71/588670271.db2.gz GDRADEHIUQCPAX-VIFPVBQESA-N 1 2 245.348 0.410 20 0 BCADLO O=C1CCC2=C(CC[N@H+](Cc3c[nH]cn3)C2)N1 ZINC000852298331 588677260 /nfs/dbraw/zinc/67/72/60/588677260.db2.gz YZXIIGBOKCYVAK-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@@H+](Cc3c[nH]cn3)C2)N1 ZINC000852298331 588677261 /nfs/dbraw/zinc/67/72/61/588677261.db2.gz YZXIIGBOKCYVAK-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@H+](Cc3cnc[nH]3)C2)N1 ZINC000852298331 588677262 /nfs/dbraw/zinc/67/72/62/588677262.db2.gz YZXIIGBOKCYVAK-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@@H+](Cc3cnc[nH]3)C2)N1 ZINC000852298331 588677263 /nfs/dbraw/zinc/67/72/63/588677263.db2.gz YZXIIGBOKCYVAK-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000852320304 588677361 /nfs/dbraw/zinc/67/73/61/588677361.db2.gz IXFIIBNWMHTFKG-NSHDSACASA-N 1 2 229.320 0.936 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)[nH]1 ZINC000852296232 588677397 /nfs/dbraw/zinc/67/73/97/588677397.db2.gz SBHNBYQHZCYGGZ-UHFFFAOYSA-N 1 2 247.302 0.483 20 0 BCADLO Cc1nnc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)[nH]1 ZINC000852296232 588677398 /nfs/dbraw/zinc/67/73/98/588677398.db2.gz SBHNBYQHZCYGGZ-UHFFFAOYSA-N 1 2 247.302 0.483 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC000852323719 588678876 /nfs/dbraw/zinc/67/88/76/588678876.db2.gz LMKNCQODVRGVHQ-CMPLNLGQSA-N 1 2 225.288 0.803 20 0 BCADLO C[C@]1(C2CC2)C[N@H+]([C@H]2CCOC2=O)CCO1 ZINC000852323719 588678877 /nfs/dbraw/zinc/67/88/77/588678877.db2.gz LMKNCQODVRGVHQ-CMPLNLGQSA-N 1 2 225.288 0.803 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cnon2)C1 ZINC000852409705 588681245 /nfs/dbraw/zinc/68/12/45/588681245.db2.gz VJKOGGPBQISRQR-SNVBAGLBSA-N 1 2 227.264 0.043 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cnon2)C1 ZINC000852409705 588681246 /nfs/dbraw/zinc/68/12/46/588681246.db2.gz VJKOGGPBQISRQR-SNVBAGLBSA-N 1 2 227.264 0.043 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000852413744 588681888 /nfs/dbraw/zinc/68/18/88/588681888.db2.gz DOJVNPICXFPHFB-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000852413744 588681889 /nfs/dbraw/zinc/68/18/89/588681889.db2.gz DOJVNPICXFPHFB-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433961 588682213 /nfs/dbraw/zinc/68/22/13/588682213.db2.gz YQNXEEARAQOUGC-VIFPVBQESA-N 1 2 242.275 0.076 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433961 588682214 /nfs/dbraw/zinc/68/22/14/588682214.db2.gz YQNXEEARAQOUGC-VIFPVBQESA-N 1 2 242.275 0.076 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000852438636 588682248 /nfs/dbraw/zinc/68/22/48/588682248.db2.gz UYDSSSOZCADOQI-JTQLQIEISA-N 1 2 248.286 0.503 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000852438636 588682249 /nfs/dbraw/zinc/68/22/49/588682249.db2.gz UYDSSSOZCADOQI-JTQLQIEISA-N 1 2 248.286 0.503 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)C1CC1 ZINC000852444531 588682574 /nfs/dbraw/zinc/68/25/74/588682574.db2.gz WTISHXNVTGKWFR-UHFFFAOYSA-N 1 2 237.299 0.993 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)C1CC1 ZINC000852444531 588682575 /nfs/dbraw/zinc/68/25/75/588682575.db2.gz WTISHXNVTGKWFR-UHFFFAOYSA-N 1 2 237.299 0.993 20 0 BCADLO COCC[N@H+](CCF)C[C@](C)(O)C(C)=O ZINC000852480258 588682697 /nfs/dbraw/zinc/68/26/97/588682697.db2.gz SJNHFGBSHKLPCJ-JTQLQIEISA-N 1 2 221.272 0.244 20 0 BCADLO COCC[N@@H+](CCF)C[C@](C)(O)C(C)=O ZINC000852480258 588682698 /nfs/dbraw/zinc/68/26/98/588682698.db2.gz SJNHFGBSHKLPCJ-JTQLQIEISA-N 1 2 221.272 0.244 20 0 BCADLO CCN1C[C@H](C[N@H+](CCF)CCOC)OC1=O ZINC000852480060 588683745 /nfs/dbraw/zinc/68/37/45/588683745.db2.gz NRBVFBVBRFVRLE-JTQLQIEISA-N 1 2 248.298 0.745 20 0 BCADLO CCN1C[C@H](C[N@@H+](CCF)CCOC)OC1=O ZINC000852480060 588683746 /nfs/dbraw/zinc/68/37/46/588683746.db2.gz NRBVFBVBRFVRLE-JTQLQIEISA-N 1 2 248.298 0.745 20 0 BCADLO COCC[N@H+](CCF)[C@@H](C)C(=O)N(C)C ZINC000852484544 588684983 /nfs/dbraw/zinc/68/49/83/588684983.db2.gz HCDHCGSGRNGRGV-VIFPVBQESA-N 1 2 220.288 0.381 20 0 BCADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)N(C)C ZINC000852484544 588684984 /nfs/dbraw/zinc/68/49/84/588684984.db2.gz HCDHCGSGRNGRGV-VIFPVBQESA-N 1 2 220.288 0.381 20 0 BCADLO CCCCNC(=O)C[N@H+](CCF)CCOC ZINC000852484857 588685214 /nfs/dbraw/zinc/68/52/14/588685214.db2.gz NOTHUEWGAKEELG-UHFFFAOYSA-N 1 2 234.315 0.821 20 0 BCADLO CCCCNC(=O)C[N@@H+](CCF)CCOC ZINC000852484857 588685215 /nfs/dbraw/zinc/68/52/15/588685215.db2.gz NOTHUEWGAKEELG-UHFFFAOYSA-N 1 2 234.315 0.821 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000852498724 588685656 /nfs/dbraw/zinc/68/56/56/588685656.db2.gz PHPWDACFPFWNHF-LLVKDONJSA-N 1 2 240.307 0.145 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000852498724 588685657 /nfs/dbraw/zinc/68/56/57/588685657.db2.gz PHPWDACFPFWNHF-LLVKDONJSA-N 1 2 240.307 0.145 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536084 588688785 /nfs/dbraw/zinc/68/87/85/588688785.db2.gz BMIMIIHLUZBBDB-CMPLNLGQSA-N 1 2 227.304 0.786 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536084 588688786 /nfs/dbraw/zinc/68/87/86/588688786.db2.gz BMIMIIHLUZBBDB-CMPLNLGQSA-N 1 2 227.304 0.786 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC000852571382 588691119 /nfs/dbraw/zinc/69/11/19/588691119.db2.gz YTTZBMCTHQFSKW-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC000852571382 588691120 /nfs/dbraw/zinc/69/11/20/588691120.db2.gz YTTZBMCTHQFSKW-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CCN(C)Cc1c[nH+]cn1C ZINC000852571382 588691121 /nfs/dbraw/zinc/69/11/21/588691121.db2.gz YTTZBMCTHQFSKW-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cnn(C)n2)C1 ZINC000852696777 588696400 /nfs/dbraw/zinc/69/64/00/588696400.db2.gz QYOHOROMHCQJLP-WAAGHKOSSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(C)n2)C1 ZINC000852696777 588696401 /nfs/dbraw/zinc/69/64/01/588696401.db2.gz QYOHOROMHCQJLP-WAAGHKOSSA-N 1 2 238.291 0.199 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CC[S@](C)=O ZINC000852707409 588697162 /nfs/dbraw/zinc/69/71/62/588697162.db2.gz HWNGYYKRWGGEIB-DXELSEMOSA-N 1 2 245.344 0.392 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CC[S@](C)=O ZINC000852707409 588697163 /nfs/dbraw/zinc/69/71/63/588697163.db2.gz HWNGYYKRWGGEIB-DXELSEMOSA-N 1 2 245.344 0.392 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC(=O)O2)s1 ZINC000852746120 588699176 /nfs/dbraw/zinc/69/91/76/588699176.db2.gz ISBMUELYMWBGGN-MRVPVSSYSA-N 1 2 241.316 0.984 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC(=O)O2)s1 ZINC000852746120 588699177 /nfs/dbraw/zinc/69/91/77/588699177.db2.gz ISBMUELYMWBGGN-MRVPVSSYSA-N 1 2 241.316 0.984 20 0 BCADLO Cc1c[nH+]cn1CC(=O)OCc1c[nH]nn1 ZINC000860751751 589118405 /nfs/dbraw/zinc/11/84/05/589118405.db2.gz AVHZCTPQSJAKTP-UHFFFAOYSA-N 1 2 221.220 0.053 20 0 BCADLO CS(=O)(=O)CCCC(=O)OCC[NH+]1CCC1 ZINC000861387714 589163217 /nfs/dbraw/zinc/16/32/17/589163217.db2.gz MZIRBRCSHSMVEC-UHFFFAOYSA-N 1 2 249.332 0.060 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000118394618 589169974 /nfs/dbraw/zinc/16/99/74/589169974.db2.gz WEUPFKVEPLFLPN-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000118394618 589169976 /nfs/dbraw/zinc/16/99/76/589169976.db2.gz WEUPFKVEPLFLPN-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000118398806 589170018 /nfs/dbraw/zinc/17/00/18/589170018.db2.gz ZRUXSJDPTVKZIE-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000118398806 589170019 /nfs/dbraw/zinc/17/00/19/589170019.db2.gz ZRUXSJDPTVKZIE-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO Cc1nonc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760821 589176899 /nfs/dbraw/zinc/17/68/99/589176899.db2.gz OROKZZLRPZPCFR-UHFFFAOYSA-N 1 2 233.231 0.300 20 0 BCADLO Cc1nonc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760821 589176900 /nfs/dbraw/zinc/17/69/00/589176900.db2.gz OROKZZLRPZPCFR-UHFFFAOYSA-N 1 2 233.231 0.300 20 0 BCADLO CO[C@@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760221 589176943 /nfs/dbraw/zinc/17/69/43/589176943.db2.gz XVPJXTAYCZLOGR-QMMMGPOBSA-N 1 2 223.276 0.719 20 0 BCADLO CO[C@@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760221 589176944 /nfs/dbraw/zinc/17/69/44/589176944.db2.gz XVPJXTAYCZLOGR-QMMMGPOBSA-N 1 2 223.276 0.719 20 0 BCADLO CCO/C=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763316 589177325 /nfs/dbraw/zinc/17/73/25/589177325.db2.gz PBEATOKMNAZPNV-XQRVVYSFSA-N 1 2 221.260 0.845 20 0 BCADLO CCO/C=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763316 589177326 /nfs/dbraw/zinc/17/73/26/589177326.db2.gz PBEATOKMNAZPNV-XQRVVYSFSA-N 1 2 221.260 0.845 20 0 BCADLO CCC[C@H](O)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760475 589177384 /nfs/dbraw/zinc/17/73/84/589177384.db2.gz GDDVIFKHDQUPHQ-VIFPVBQESA-N 1 2 237.303 0.846 20 0 BCADLO CCC[C@H](O)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760475 589177385 /nfs/dbraw/zinc/17/73/85/589177385.db2.gz GDDVIFKHDQUPHQ-VIFPVBQESA-N 1 2 237.303 0.846 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cn1nccc1C ZINC000861880314 589181595 /nfs/dbraw/zinc/18/15/95/589181595.db2.gz ILORQBOZKWJMAA-UHFFFAOYSA-N 1 2 247.302 0.724 20 0 BCADLO CC(C)(C(=O)NC[C@H]1COCO1)c1c[nH]c[nH+]1 ZINC000861979348 589188550 /nfs/dbraw/zinc/18/85/50/589188550.db2.gz VKWRAMHGUBDVBI-QMMMGPOBSA-N 1 2 239.275 0.176 20 0 BCADLO COC(=O)[C@@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000862244628 589197097 /nfs/dbraw/zinc/19/70/97/589197097.db2.gz QMHSQSQFSOWQIX-VIFPVBQESA-N 1 2 239.275 0.092 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000862336229 589201014 /nfs/dbraw/zinc/20/10/14/589201014.db2.gz CWPHXHZRPABSRD-GXSJLCMTSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000862336229 589201015 /nfs/dbraw/zinc/20/10/15/589201015.db2.gz CWPHXHZRPABSRD-GXSJLCMTSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C)C[C@H]2C)[nH+]c1C ZINC000862336411 589201112 /nfs/dbraw/zinc/20/11/12/589201112.db2.gz GKYQPXRSDAPETN-MRVPVSSYSA-N 1 2 236.319 0.689 20 0 BCADLO COC(=O)[C@H](CF)NCc1[nH]c(C)c(C)[nH+]1 ZINC000862369114 589202734 /nfs/dbraw/zinc/20/27/34/589202734.db2.gz QCRGODNGKWSPGL-QMMMGPOBSA-N 1 2 229.255 0.627 20 0 BCADLO Cc1c[nH]c(C[NH+]2CC3(C2)CCOC3)n1 ZINC000862380580 589206412 /nfs/dbraw/zinc/20/64/12/589206412.db2.gz JWKSHYHYIYJNBM-UHFFFAOYSA-N 1 2 207.277 0.940 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C(N)=O ZINC000119059697 589237011 /nfs/dbraw/zinc/23/70/11/589237011.db2.gz PQWYQMJGMGVZIO-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C(N)=O ZINC000119059697 589237013 /nfs/dbraw/zinc/23/70/13/589237013.db2.gz PQWYQMJGMGVZIO-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000862768633 589239562 /nfs/dbraw/zinc/23/95/62/589239562.db2.gz MHYVNUOCKUAWCI-SECBINFHSA-N 1 2 231.259 0.412 20 0 BCADLO CC(C)CC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000862780280 589241749 /nfs/dbraw/zinc/24/17/49/589241749.db2.gz PTDMNUULYPFGJS-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862972414 589249014 /nfs/dbraw/zinc/24/90/14/589249014.db2.gz DFIFLCVAUAFWGD-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862972414 589249015 /nfs/dbraw/zinc/24/90/15/589249015.db2.gz DFIFLCVAUAFWGD-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862968649 589249318 /nfs/dbraw/zinc/24/93/18/589249318.db2.gz AHRLMWIEFVOOKS-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862968649 589249319 /nfs/dbraw/zinc/24/93/19/589249319.db2.gz AHRLMWIEFVOOKS-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC=CO1 ZINC000862969748 589249817 /nfs/dbraw/zinc/24/98/17/589249817.db2.gz ISQAYGARRCQBFX-MNOVXSKESA-N 1 2 240.303 0.126 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC=CO1 ZINC000862969748 589249818 /nfs/dbraw/zinc/24/98/18/589249818.db2.gz ISQAYGARRCQBFX-MNOVXSKESA-N 1 2 240.303 0.126 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969716 589249880 /nfs/dbraw/zinc/24/98/80/589249880.db2.gz IBBLBUQFBWZORS-UWVGGRQHSA-N 1 2 232.299 0.427 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969716 589249881 /nfs/dbraw/zinc/24/98/81/589249881.db2.gz IBBLBUQFBWZORS-UWVGGRQHSA-N 1 2 232.299 0.427 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(=O)C1CCCC1 ZINC000863057498 589252976 /nfs/dbraw/zinc/25/29/76/589252976.db2.gz AXBWWYLKRRRQLJ-UHFFFAOYSA-N 1 2 235.287 0.828 20 0 BCADLO CC[C@@H](C)NC(=S)NC[C@H]1COCC[N@@H+]1C ZINC000863227034 589273308 /nfs/dbraw/zinc/27/33/08/589273308.db2.gz ZRRJTSSMEWVXND-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO CC[C@@H](C)NC(=S)NC[C@H]1COCC[N@H+]1C ZINC000863227034 589273309 /nfs/dbraw/zinc/27/33/09/589273309.db2.gz ZRRJTSSMEWVXND-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863231150 589273769 /nfs/dbraw/zinc/27/37/69/589273769.db2.gz AWQQBIMJWAJKAD-GXFFZTMASA-N 1 2 249.314 0.573 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000863283390 589276025 /nfs/dbraw/zinc/27/60/25/589276025.db2.gz MNMZVIKAFOWUOH-ZJUUUORDSA-N 1 2 235.287 0.636 20 0 BCADLO O=C1O[C@H](C[NH2+]Cc2c[nH]cn2)CN1C1CC1 ZINC000864049812 589334534 /nfs/dbraw/zinc/33/45/34/589334534.db2.gz LUKZHCOJPSJFCQ-SNVBAGLBSA-N 1 2 236.275 0.483 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC2(C)C)s1 ZINC000864052895 589334893 /nfs/dbraw/zinc/33/48/93/589334893.db2.gz RCCBWTFFYQOCFE-MRVPVSSYSA-N 1 2 240.332 0.461 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000864064396 589337380 /nfs/dbraw/zinc/33/73/80/589337380.db2.gz UTZYDSDPXOBDAO-KHQFGBGNSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000864064396 589337382 /nfs/dbraw/zinc/33/73/82/589337382.db2.gz UTZYDSDPXOBDAO-KHQFGBGNSA-N 1 2 223.276 0.634 20 0 BCADLO CC12CC(C1)CN2C(=O)Cc1c[nH+]c[nH]1 ZINC000864072926 589339670 /nfs/dbraw/zinc/33/96/70/589339670.db2.gz RSMKZDVXCKQKKL-UHFFFAOYSA-N 1 2 205.261 0.963 20 0 BCADLO CO[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864080377 589341360 /nfs/dbraw/zinc/34/13/60/589341360.db2.gz IECOOTITMHNFSD-MWLCHTKSSA-N 1 2 237.303 0.978 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864080543 589341683 /nfs/dbraw/zinc/34/16/83/589341683.db2.gz HJXDLEYYWMRLMV-WHXYTISESA-N 1 2 232.711 0.576 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864080543 589341685 /nfs/dbraw/zinc/34/16/85/589341685.db2.gz HJXDLEYYWMRLMV-WHXYTISESA-N 1 2 232.711 0.576 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCCC1 ZINC000864376208 589356302 /nfs/dbraw/zinc/35/63/02/589356302.db2.gz IYBXZTRMFVVBFA-PLNGDYQASA-N 1 2 238.331 0.887 20 0 BCADLO CC[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864385557 589357376 /nfs/dbraw/zinc/35/73/76/589357376.db2.gz OPXGMOGHZOEWFS-ZWNMCFTASA-N 1 2 226.320 0.790 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000864389518 589357905 /nfs/dbraw/zinc/35/79/05/589357905.db2.gz IUNGXVJALPUPBB-KHQFGBGNSA-N 1 2 239.275 0.079 20 0 BCADLO CCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864408637 589359218 /nfs/dbraw/zinc/35/92/18/589359218.db2.gz AIMXYFISIZCBSN-PLNGDYQASA-N 1 2 226.320 0.791 20 0 BCADLO C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864409288 589359301 /nfs/dbraw/zinc/35/93/01/589359301.db2.gz BNNGXEWBXZBIQU-KKZNHRDASA-N 1 2 237.303 0.948 20 0 BCADLO CCN(CC)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864408599 589359391 /nfs/dbraw/zinc/35/93/91/589359391.db2.gz YQIKJBGYYGVJBV-WAYWQWQTSA-N 1 2 226.320 0.743 20 0 BCADLO CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864428541 589362172 /nfs/dbraw/zinc/36/21/72/589362172.db2.gz GHWXBAAUBHBFDI-UHFFFAOYSA-N 1 2 220.276 0.673 20 0 BCADLO CC/C=C(/F)C(=O)NCC[NH+]1CCOCC1 ZINC000864430858 589362762 /nfs/dbraw/zinc/36/27/62/589362762.db2.gz JJFMMDDPNYZSEE-XCVCLJGOSA-N 1 2 230.283 0.698 20 0 BCADLO COC[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864442105 589363437 /nfs/dbraw/zinc/36/34/37/589363437.db2.gz HMPXIRSXUHARMU-BYCRGOAPSA-N 1 2 242.319 0.026 20 0 BCADLO CC(C)CO[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000120074599 589372413 /nfs/dbraw/zinc/37/24/13/589372413.db2.gz HUADROUANSTRAO-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)CO[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC000120074599 589372415 /nfs/dbraw/zinc/37/24/15/589372415.db2.gz HUADROUANSTRAO-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC[C@H]1CCOC1=O ZINC000120226801 589393750 /nfs/dbraw/zinc/39/37/50/589393750.db2.gz JMRNQKCHRBMPKA-QMMMGPOBSA-N 1 2 229.276 0.481 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000864807270 589395090 /nfs/dbraw/zinc/39/50/90/589395090.db2.gz SWFVNXDSGQGUGR-NQMVMOMDSA-N 1 2 239.275 0.079 20 0 BCADLO CCN(CC(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864813215 589395356 /nfs/dbraw/zinc/39/53/56/589395356.db2.gz PLXRXVSIGNTFMR-JTQLQIEISA-N 1 2 225.292 0.948 20 0 BCADLO CCOC(=O)C[N@H+](C)CC[C@@H]1CCOC1=O ZINC000120275732 589398760 /nfs/dbraw/zinc/39/87/60/589398760.db2.gz ODCLUDULCPVWAU-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000120275732 589398761 /nfs/dbraw/zinc/39/87/61/589398761.db2.gz ODCLUDULCPVWAU-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864875721 589398950 /nfs/dbraw/zinc/39/89/50/589398950.db2.gz SFLJUDKFJSSTNH-FQVTYBBZSA-N 1 2 238.331 0.647 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865096396 589408669 /nfs/dbraw/zinc/40/86/69/589408669.db2.gz VPKRFNPOILNXNB-VXNVDRBHSA-N 1 2 209.249 0.312 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865117795 589410021 /nfs/dbraw/zinc/41/00/21/589410021.db2.gz SRQHONQQSNPBPH-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO COC/C=C/C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000865140523 589410802 /nfs/dbraw/zinc/41/08/02/589410802.db2.gz ZUJPXRKAKUVJAL-NSCUHMNNSA-N 1 2 248.282 0.874 20 0 BCADLO CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000865165294 589412325 /nfs/dbraw/zinc/41/23/25/589412325.db2.gz CMXQDPUKHZGZKD-SNVBAGLBSA-N 1 2 223.276 0.844 20 0 BCADLO Cc1cc(N2CC[C@@H](O)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000865203711 589414418 /nfs/dbraw/zinc/41/44/18/589414418.db2.gz LUCGGQIUBXHJBT-MNOVXSKESA-N 1 2 249.314 0.594 20 0 BCADLO CC(C)Cc1cc(NCCNC(N)=O)nc[nH+]1 ZINC000865542371 589444647 /nfs/dbraw/zinc/44/46/47/589444647.db2.gz RMKQWOLXIXPDRV-UHFFFAOYSA-N 1 2 237.307 0.755 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865621439 589452205 /nfs/dbraw/zinc/45/22/05/589452205.db2.gz PPNJGWLGLXAEHQ-JTQLQIEISA-N 1 2 220.276 0.196 20 0 BCADLO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H](O)C(F)(F)F ZINC000865710792 589457913 /nfs/dbraw/zinc/45/79/13/589457913.db2.gz FFCLZJXLOOAYJQ-IYSWYEEDSA-N 1 2 238.213 0.216 20 0 BCADLO C[C@@H](O)c1ccc(N2CC(=O)N(C)C[C@H]2C)[nH+]c1 ZINC000865711643 589457998 /nfs/dbraw/zinc/45/79/98/589457998.db2.gz PNCQLMDKEAANLV-NXEZZACHSA-N 1 2 249.314 0.802 20 0 BCADLO CCN(CC1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865731996 589458815 /nfs/dbraw/zinc/45/88/15/589458815.db2.gz MDCUVJJTVMYQJC-JTQLQIEISA-N 1 2 223.276 0.702 20 0 BCADLO COC/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000865804918 589462287 /nfs/dbraw/zinc/46/22/87/589462287.db2.gz LJDAXUXMHLOXBI-PLNGDYQASA-N 1 2 237.303 0.982 20 0 BCADLO Cn1nnc(C[NH2+][C@]23CCC[C@H]2OCC3)n1 ZINC000865856274 589465455 /nfs/dbraw/zinc/46/54/55/589465455.db2.gz DXNKARJSXNBSNA-SCZZXKLOSA-N 1 2 223.280 0.011 20 0 BCADLO CCCNc1cc(N[C@H](CO)[C@@H](C)O)nc[nH+]1 ZINC000865870949 589466013 /nfs/dbraw/zinc/46/60/13/589466013.db2.gz GKRPXWKRVJOUTO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CCCNc1cc(N[C@H](CO)[C@@H](C)O)[nH+]cn1 ZINC000865870949 589466014 /nfs/dbraw/zinc/46/60/14/589466014.db2.gz GKRPXWKRVJOUTO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCC1 ZINC000865981610 589471389 /nfs/dbraw/zinc/47/13/89/589471389.db2.gz MQYYFNHWZOTYGQ-SNVBAGLBSA-N 1 2 223.276 0.844 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866020453 589472862 /nfs/dbraw/zinc/47/28/62/589472862.db2.gz MJIHMEHALCBQEV-WEDXCCLWSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H](O)[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000866108645 589476625 /nfs/dbraw/zinc/47/66/25/589476625.db2.gz CMJXXKZMKSRILJ-PRHODGIISA-N 1 2 233.271 0.205 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866202126 589479805 /nfs/dbraw/zinc/47/98/05/589479805.db2.gz ZBXRNUCZEADNQX-NQMVMOMDSA-N 1 2 223.276 0.558 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCC(F)F ZINC000866253533 589483100 /nfs/dbraw/zinc/48/31/00/589483100.db2.gz JXPQJGZJYVXFQQ-UPHRSURJSA-N 1 2 234.246 0.256 20 0 BCADLO CNc1nc(C(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000120996254 589483686 /nfs/dbraw/zinc/48/36/86/589483686.db2.gz GQOHMJJWHKGYNI-UHFFFAOYSA-N 1 2 237.288 0.838 20 0 BCADLO CC1(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000866327688 589486514 /nfs/dbraw/zinc/48/65/14/589486514.db2.gz CPGJSCNLGRTLKU-IHWYPQMZSA-N 1 2 238.331 0.791 20 0 BCADLO CCCN(C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000867538005 589524852 /nfs/dbraw/zinc/52/48/52/589524852.db2.gz DVPHXYNGKZGLEK-JTQLQIEISA-N 1 2 229.324 0.057 20 0 BCADLO CCCN(C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000867538005 589524854 /nfs/dbraw/zinc/52/48/54/589524854.db2.gz DVPHXYNGKZGLEK-JTQLQIEISA-N 1 2 229.324 0.057 20 0 BCADLO COC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712202 589531934 /nfs/dbraw/zinc/53/19/34/589531934.db2.gz WDSLHESDNMTQBJ-MRVPVSSYSA-N 1 2 204.245 0.776 20 0 BCADLO COC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712202 589531936 /nfs/dbraw/zinc/53/19/36/589531936.db2.gz WDSLHESDNMTQBJ-MRVPVSSYSA-N 1 2 204.245 0.776 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868004667 589543362 /nfs/dbraw/zinc/54/33/62/589543362.db2.gz AWKRQMOYVHGZTF-OPVGQWETSA-N 1 2 238.331 0.790 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000868259365 589553043 /nfs/dbraw/zinc/55/30/43/589553043.db2.gz AYTFDOHKZKYQTA-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868285185 589553679 /nfs/dbraw/zinc/55/36/79/589553679.db2.gz FTSQAUAUVNBXCA-VIFPVBQESA-N 1 2 241.291 0.879 20 0 BCADLO CCOC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000868412824 589557775 /nfs/dbraw/zinc/55/77/75/589557775.db2.gz IZWNHSPQBJXLEL-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868493419 589560602 /nfs/dbraw/zinc/56/06/02/589560602.db2.gz QWQGBBXDGMUSCT-SCZZXKLOSA-N 1 2 241.291 0.327 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)[C@H](C)CO1 ZINC000122186514 589561519 /nfs/dbraw/zinc/56/15/19/589561519.db2.gz VMHNVOZPNOIBTD-RKDXNWHRSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)[C@H](C)CO1 ZINC000122186514 589561521 /nfs/dbraw/zinc/56/15/21/589561521.db2.gz VMHNVOZPNOIBTD-RKDXNWHRSA-N 1 2 201.266 0.469 20 0 BCADLO CC[C@H]1CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868539043 589563047 /nfs/dbraw/zinc/56/30/47/589563047.db2.gz MZCUXMJBCRHVPQ-PCAWENJQSA-N 1 2 238.331 0.886 20 0 BCADLO CC[C@@H]1CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868539040 589563287 /nfs/dbraw/zinc/56/32/87/589563287.db2.gz MZCUXMJBCRHVPQ-AAOUONPWSA-N 1 2 238.331 0.886 20 0 BCADLO CSCCONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868564950 589564424 /nfs/dbraw/zinc/56/44/24/589564424.db2.gz PAUCEFPHLDURFW-UHFFFAOYSA-N 1 2 244.320 0.846 20 0 BCADLO CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000868644667 589569875 /nfs/dbraw/zinc/56/98/75/589569875.db2.gz GEXIWIJDLWXRAN-ARJAWSKDSA-N 1 2 238.331 0.934 20 0 BCADLO CS[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868655788 589570425 /nfs/dbraw/zinc/57/04/25/589570425.db2.gz UXIOZJAALMSKJC-APPZFPTMSA-N 1 2 241.316 0.407 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]1C1CC1 ZINC000868651912 589570613 /nfs/dbraw/zinc/57/06/13/589570613.db2.gz WOXIEVHOGDLPMX-NXEZZACHSA-N 1 2 221.260 0.454 20 0 BCADLO CC/C=C/CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868678613 589572460 /nfs/dbraw/zinc/57/24/60/589572460.db2.gz AYKCFMUCDIQRSF-ICWBMWKASA-N 1 2 238.331 0.957 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H](F)C1 ZINC000868686289 589572799 /nfs/dbraw/zinc/57/27/99/589572799.db2.gz XABYNLZKSXVOBX-POYBYMJQSA-N 1 2 213.212 0.014 20 0 BCADLO CCC1CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868833688 589578695 /nfs/dbraw/zinc/57/86/95/589578695.db2.gz UGPBJFQHHGIRPM-ONEGZZNKSA-N 1 2 238.331 0.743 20 0 BCADLO O=C(N[C@H]1C[C@@H](CO)C1)c1cccc2[nH+]ccn21 ZINC000869872426 589634282 /nfs/dbraw/zinc/63/42/82/589634282.db2.gz FPXFDDOQBNNIFW-AOOOYVTPSA-N 1 2 245.282 0.835 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000871629930 589779352 /nfs/dbraw/zinc/77/93/52/589779352.db2.gz PSRQGGBKVPLMGS-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000871629930 589779353 /nfs/dbraw/zinc/77/93/53/589779353.db2.gz PSRQGGBKVPLMGS-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO FC(F)Cn1cc[nH+]c1Cn1ccnn1 ZINC000871672249 589787877 /nfs/dbraw/zinc/78/78/77/589787877.db2.gz XUOMPAZFSSGINQ-UHFFFAOYSA-N 1 2 213.191 0.788 20 0 BCADLO NC(=O)CSCc1[nH+]ccn1CC(F)F ZINC000871676516 589788048 /nfs/dbraw/zinc/78/80/48/589788048.db2.gz YHPZGQOMKQIPKP-UHFFFAOYSA-N 1 2 235.259 0.867 20 0 BCADLO NC(CCO)=[NH+]OCc1nc2c(o1)CCCC2 ZINC000871741881 589802693 /nfs/dbraw/zinc/80/26/93/589802693.db2.gz GAJUPVSYFVPOFT-UHFFFAOYSA-N 1 2 239.275 0.934 20 0 BCADLO COCCOCCO[NH+]=C(N)COC1CCC1 ZINC000871775577 589814134 /nfs/dbraw/zinc/81/41/34/589814134.db2.gz MVJWLELMLHFPSB-UHFFFAOYSA-N 1 2 246.307 0.717 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)O[C@@H](C)C1=O ZINC000871782029 589816519 /nfs/dbraw/zinc/81/65/19/589816519.db2.gz VRRSHLBWDITIGE-ZETCQYMHSA-N 1 2 236.227 0.958 20 0 BCADLO Cc1nonc1CN[C@H](C)c1[nH+]ccn1C ZINC000872135051 589878501 /nfs/dbraw/zinc/87/85/01/589878501.db2.gz CICJGJRDSMUDEN-MRVPVSSYSA-N 1 2 221.264 0.962 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268766 589902931 /nfs/dbraw/zinc/90/29/31/589902931.db2.gz JRTCITCPVLNPLM-SFYZADRCSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268766 589902932 /nfs/dbraw/zinc/90/29/32/589902932.db2.gz JRTCITCPVLNPLM-SFYZADRCSA-N 1 2 235.230 0.658 20 0 BCADLO C[S@@](=O)CCNc1nc[nH+]c2c1CCC2 ZINC000124010545 589902995 /nfs/dbraw/zinc/90/29/95/589902995.db2.gz OVAOAQVBDQFPCZ-HNNXBMFYSA-N 1 2 225.317 0.756 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000872316482 589910443 /nfs/dbraw/zinc/91/04/43/589910443.db2.gz WUZZROJROUBVEC-DTORHVGOSA-N 1 2 221.260 0.057 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317269 589910783 /nfs/dbraw/zinc/91/07/83/589910783.db2.gz MIXXQWSHYVYGRW-VIFPVBQESA-N 1 2 234.303 0.207 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317269 589910784 /nfs/dbraw/zinc/91/07/84/589910784.db2.gz MIXXQWSHYVYGRW-VIFPVBQESA-N 1 2 234.303 0.207 20 0 BCADLO CC[S@@](=O)CC[NH2+]Cc1cn[nH]c1C ZINC000124142012 589950153 /nfs/dbraw/zinc/95/01/53/589950153.db2.gz FTSUQLRTTJVKSZ-AWEZNQCLSA-N 1 2 215.322 0.576 20 0 BCADLO O=C1CC2(COC2)CN1C[N@H+]1CC[C@@H](F)C1 ZINC000872615731 589956466 /nfs/dbraw/zinc/95/64/66/589956466.db2.gz MVUMJYSVDUWLMQ-SECBINFHSA-N 1 2 228.267 0.237 20 0 BCADLO O=C1CC2(COC2)CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000872615731 589956467 /nfs/dbraw/zinc/95/64/67/589956467.db2.gz MVUMJYSVDUWLMQ-SECBINFHSA-N 1 2 228.267 0.237 20 0 BCADLO O=C1CCN1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872680176 589960476 /nfs/dbraw/zinc/96/04/76/589960476.db2.gz CILGTVYVVQJBDH-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO O=C1CCN1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872680176 589960477 /nfs/dbraw/zinc/96/04/77/589960477.db2.gz CILGTVYVVQJBDH-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO CC1(C)CCC(=O)N1C[N@@H+]1CCCNC(=O)C1 ZINC000872824462 589971978 /nfs/dbraw/zinc/97/19/78/589971978.db2.gz CMFYDZIUWVCNBE-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO CC1(C)CCC(=O)N1C[N@H+]1CCCNC(=O)C1 ZINC000872824462 589971979 /nfs/dbraw/zinc/97/19/79/589971979.db2.gz CMFYDZIUWVCNBE-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO O=S(=O)(CC[NH2+]Cc1ccon1)CC1CC1 ZINC000873081234 589983367 /nfs/dbraw/zinc/98/33/67/589983367.db2.gz YEXHOWJDWMFITH-UHFFFAOYSA-N 1 2 244.316 0.589 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnc(N)cn2)[C@@H](C(N)=O)C1 ZINC000873208467 589993547 /nfs/dbraw/zinc/99/35/47/589993547.db2.gz OGOBRFZMRFZXMK-PSASIEDQSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)[C@@H](C(N)=O)C1 ZINC000873208467 589993549 /nfs/dbraw/zinc/99/35/49/589993549.db2.gz OGOBRFZMRFZXMK-PSASIEDQSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnc(N)cn2)[C@@H](C(N)=O)C1 ZINC000873208469 589993919 /nfs/dbraw/zinc/99/39/19/589993919.db2.gz OGOBRFZMRFZXMK-WCBMZHEXSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnc(N)cn2)[C@@H](C(N)=O)C1 ZINC000873208469 589993920 /nfs/dbraw/zinc/99/39/20/589993920.db2.gz OGOBRFZMRFZXMK-WCBMZHEXSA-N 1 2 249.318 0.145 20 0 BCADLO C[N@H+](Cc1cnc(N)cn1)[C@H]1CCCCNC1=O ZINC000873206223 589994294 /nfs/dbraw/zinc/99/42/94/589994294.db2.gz XTXULZSWDKLIAT-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO C[N@@H+](Cc1cnc(N)cn1)[C@H]1CCCCNC1=O ZINC000873206223 589994297 /nfs/dbraw/zinc/99/42/97/589994297.db2.gz XTXULZSWDKLIAT-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO Nc1cnc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000873208655 589995287 /nfs/dbraw/zinc/99/52/87/589995287.db2.gz ZQARBJAAVITVDB-LLVKDONJSA-N 1 2 234.303 0.670 20 0 BCADLO Nc1cnc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000873208655 589995290 /nfs/dbraw/zinc/99/52/90/589995290.db2.gz ZQARBJAAVITVDB-LLVKDONJSA-N 1 2 234.303 0.670 20 0 BCADLO CCN1CCC[N@H+](Cc2cnc(N)cn2)CC1=O ZINC000873209531 589995463 /nfs/dbraw/zinc/99/54/63/589995463.db2.gz PDZLVYGCCLIVMW-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO CCN1CCC[N@@H+](Cc2cnc(N)cn2)CC1=O ZINC000873209531 589995466 /nfs/dbraw/zinc/99/54/66/589995466.db2.gz PDZLVYGCCLIVMW-UHFFFAOYSA-N 1 2 249.318 0.113 20 0 BCADLO CONC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000873946651 590080758 /nfs/dbraw/zinc/08/07/58/590080758.db2.gz XRVKGXQABXQBIU-UHFFFAOYSA-N 1 2 216.281 0.022 20 0 BCADLO CSc1nc(NC(=O)C[NH+]2CCCC2)n[nH]1 ZINC000874254545 590100061 /nfs/dbraw/zinc/10/00/61/590100061.db2.gz YGUCHOQMBQFNLB-UHFFFAOYSA-N 1 2 241.320 0.561 20 0 BCADLO CSc1n[nH]c(NC(=O)C[NH+]2CCCC2)n1 ZINC000874254545 590100062 /nfs/dbraw/zinc/10/00/62/590100062.db2.gz YGUCHOQMBQFNLB-UHFFFAOYSA-N 1 2 241.320 0.561 20 0 BCADLO O=C(c1ccc[n+]([O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000124935255 590102933 /nfs/dbraw/zinc/10/29/33/590102933.db2.gz JUMCQEUPERCIJY-UHFFFAOYSA-N 1 2 247.298 0.240 20 0 BCADLO CC(C)CONC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875410056 590163567 /nfs/dbraw/zinc/16/35/67/590163567.db2.gz JMTRXOJZVBSHMH-SECBINFHSA-N 1 2 238.291 0.695 20 0 BCADLO CCONC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875505372 590164551 /nfs/dbraw/zinc/16/45/51/590164551.db2.gz NIIZGGMVYYFNPK-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO CCONC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875505372 590164552 /nfs/dbraw/zinc/16/45/52/590164552.db2.gz NIIZGGMVYYFNPK-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOCC1CC1 ZINC000875619385 590166698 /nfs/dbraw/zinc/16/66/98/590166698.db2.gz NNZYQXQEGMXKDG-UHFFFAOYSA-N 1 2 224.264 0.893 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1COC(=O)N1 ZINC000875693037 590168423 /nfs/dbraw/zinc/16/84/23/590168423.db2.gz QTCTVVDSOLZHQN-QMMMGPOBSA-N 1 2 235.243 0.745 20 0 BCADLO C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC000876305471 590194427 /nfs/dbraw/zinc/19/44/27/590194427.db2.gz KEWWYZWVYBVKNL-IUCAKERBSA-N 1 2 222.292 0.970 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccns1 ZINC000876577650 590218278 /nfs/dbraw/zinc/21/82/78/590218278.db2.gz ICZKLYCQNZSANP-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccns1 ZINC000876577650 590218279 /nfs/dbraw/zinc/21/82/79/590218279.db2.gz ICZKLYCQNZSANP-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO C[N@H+](Cc1ccc(Cl)nn1)[C@@H]1CCNC1=O ZINC000876814888 590245960 /nfs/dbraw/zinc/24/59/60/590245960.db2.gz KNAAOZUUTHPPAL-MRVPVSSYSA-N 1 2 240.694 0.450 20 0 BCADLO C[N@@H+](Cc1ccc(Cl)nn1)[C@@H]1CCNC1=O ZINC000876814888 590245961 /nfs/dbraw/zinc/24/59/61/590245961.db2.gz KNAAOZUUTHPPAL-MRVPVSSYSA-N 1 2 240.694 0.450 20 0 BCADLO CCn1ncc(NC(=O)[C@H]2CSC[NH2+]2)c1C ZINC000877451734 590329608 /nfs/dbraw/zinc/32/96/08/590329608.db2.gz PAWAPEBFQDNFED-SECBINFHSA-N 1 2 240.332 0.812 20 0 BCADLO CCn1ncnc1C[NH2+]CC1(C)OCCCO1 ZINC000877474967 590336327 /nfs/dbraw/zinc/33/63/27/590336327.db2.gz KKRVHHGLFATZFT-UHFFFAOYSA-N 1 2 240.307 0.541 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(Cl)nn3)C[C@H]12 ZINC000877544948 590353456 /nfs/dbraw/zinc/35/34/56/590353456.db2.gz BVZSILXWTMZESA-MYJAWHEDSA-N 1 2 239.706 0.800 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(Cl)nn3)C[C@H]12 ZINC000877544948 590353459 /nfs/dbraw/zinc/35/34/59/590353459.db2.gz BVZSILXWTMZESA-MYJAWHEDSA-N 1 2 239.706 0.800 20 0 BCADLO CC1(O)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000877580488 590364910 /nfs/dbraw/zinc/36/49/10/590364910.db2.gz DODBKIAWYXAAHQ-UHFFFAOYSA-N 1 2 217.272 0.901 20 0 BCADLO CO[C@@](C)(C[NH+]1CC2(C1)CNC(=O)O2)C1CC1 ZINC000877596971 590369723 /nfs/dbraw/zinc/36/97/23/590369723.db2.gz WFBXRQXUZBFHHE-NSHDSACASA-N 1 2 240.303 0.596 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000877613539 590373327 /nfs/dbraw/zinc/37/33/27/590373327.db2.gz LPRQQPZNHYITNU-JGVFFNPUSA-N 1 2 218.322 0.538 20 0 BCADLO CCONC(=O)C[NH2+]CCCc1cnn(C)c1 ZINC000877613220 590373432 /nfs/dbraw/zinc/37/34/32/590373432.db2.gz BCQWYHNFDGTJQI-UHFFFAOYSA-N 1 2 240.307 0.010 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877613810 590373786 /nfs/dbraw/zinc/37/37/86/590373786.db2.gz QJZMOYDGDINLBP-NXEZZACHSA-N 1 2 229.324 0.126 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877613810 590373789 /nfs/dbraw/zinc/37/37/89/590373789.db2.gz QJZMOYDGDINLBP-NXEZZACHSA-N 1 2 229.324 0.126 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877613811 590373869 /nfs/dbraw/zinc/37/38/69/590373869.db2.gz QJZMOYDGDINLBP-UWVGGRQHSA-N 1 2 229.324 0.126 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877613811 590373872 /nfs/dbraw/zinc/37/38/72/590373872.db2.gz QJZMOYDGDINLBP-UWVGGRQHSA-N 1 2 229.324 0.126 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000877614038 590373928 /nfs/dbraw/zinc/37/39/28/590373928.db2.gz UDFMEKKWRDEFHW-NKWVEPMBSA-N 1 2 222.235 0.687 20 0 BCADLO Cn1c(Cl)cnc1C[NH2+]C1(C)COC1 ZINC000877691495 590392881 /nfs/dbraw/zinc/39/28/81/590392881.db2.gz OYDZOWXGCGSMGH-UHFFFAOYSA-N 1 2 215.684 0.952 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cs1 ZINC000877748604 590413419 /nfs/dbraw/zinc/41/34/19/590413419.db2.gz GSBWQHXOFMQDMS-ZJUUUORDSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cs1 ZINC000877748604 590413420 /nfs/dbraw/zinc/41/34/20/590413420.db2.gz GSBWQHXOFMQDMS-ZJUUUORDSA-N 1 2 242.344 0.633 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877750268 590414438 /nfs/dbraw/zinc/41/44/38/590414438.db2.gz MEFYYPMPRWOPPW-BDAKNGLRSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877750268 590414442 /nfs/dbraw/zinc/41/44/42/590414442.db2.gz MEFYYPMPRWOPPW-BDAKNGLRSA-N 1 2 228.317 0.379 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000877750684 590414632 /nfs/dbraw/zinc/41/46/32/590414632.db2.gz VFLLMYYXIUSDSH-ZJUUUORDSA-N 1 2 244.241 0.287 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000877750684 590414635 /nfs/dbraw/zinc/41/46/35/590414635.db2.gz VFLLMYYXIUSDSH-ZJUUUORDSA-N 1 2 244.241 0.287 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC000877750188 590414948 /nfs/dbraw/zinc/41/49/48/590414948.db2.gz JNZZONKPPCVFCH-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC000877750188 590414949 /nfs/dbraw/zinc/41/49/49/590414949.db2.gz JNZZONKPPCVFCH-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2(SC)CCC2)C1 ZINC000877770944 590421407 /nfs/dbraw/zinc/42/14/07/590421407.db2.gz KVDFQWJZMBLRNH-UHFFFAOYSA-N 1 2 245.344 0.492 20 0 BCADLO COC(=O)C1(O)C[NH+](Cc2sccc2C)C1 ZINC000877769092 590421560 /nfs/dbraw/zinc/42/15/60/590421560.db2.gz UWMVZSMKYPGFLW-UHFFFAOYSA-N 1 2 241.312 0.776 20 0 BCADLO COC(=O)C1(O)C[NH+](CCC(C)(C)SC)C1 ZINC000877771323 590421925 /nfs/dbraw/zinc/42/19/25/590421925.db2.gz VJZGSHVZXQRLAY-UHFFFAOYSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2CCSCC2)C1 ZINC000877771199 590422566 /nfs/dbraw/zinc/42/25/66/590422566.db2.gz RJFDODPCLLVYMX-UHFFFAOYSA-N 1 2 245.344 0.349 20 0 BCADLO CCC[C@@H](C)C[NH+](CC(=O)NC)CC(=O)NC ZINC000877838581 590432221 /nfs/dbraw/zinc/43/22/21/590432221.db2.gz KHFKTNJZQXYFFW-SNVBAGLBSA-N 1 2 243.351 0.217 20 0 BCADLO O[C@H](C[NH+]1CCOCC1)CC1(O)CCCC1 ZINC000877900005 590442271 /nfs/dbraw/zinc/44/22/71/590442271.db2.gz AHWNBEVFOSAFNH-NSHDSACASA-N 1 2 229.320 0.375 20 0 BCADLO Cn1ccn2c(C[NH+]3CCCC3)nnc2c1=O ZINC000877934747 590451451 /nfs/dbraw/zinc/45/14/51/590451451.db2.gz LMZVFAYTAGUPBY-UHFFFAOYSA-N 1 2 233.275 0.024 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000877935336 590452291 /nfs/dbraw/zinc/45/22/91/590452291.db2.gz RHQAFWVOWCEFBJ-SECBINFHSA-N 1 2 247.302 0.650 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000877935336 590452293 /nfs/dbraw/zinc/45/22/93/590452293.db2.gz RHQAFWVOWCEFBJ-SECBINFHSA-N 1 2 247.302 0.650 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC000877992231 590467710 /nfs/dbraw/zinc/46/77/10/590467710.db2.gz RRTABVLMHKMWLG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nocc1C ZINC000877992231 590467712 /nfs/dbraw/zinc/46/77/12/590467712.db2.gz RRTABVLMHKMWLG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H](O)CC(C)(C)O ZINC000878000493 590469417 /nfs/dbraw/zinc/46/94/17/590469417.db2.gz YIJQABXJMDSKCA-SNVBAGLBSA-N 1 2 247.335 0.393 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)CC(C)(C)O ZINC000878000493 590469418 /nfs/dbraw/zinc/46/94/18/590469418.db2.gz YIJQABXJMDSKCA-SNVBAGLBSA-N 1 2 247.335 0.393 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878053691 590483313 /nfs/dbraw/zinc/48/33/13/590483313.db2.gz LNAMTFMSSCCSOR-QMMMGPOBSA-N 1 2 231.246 0.715 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878053691 590483315 /nfs/dbraw/zinc/48/33/15/590483315.db2.gz LNAMTFMSSCCSOR-QMMMGPOBSA-N 1 2 231.246 0.715 20 0 BCADLO O[C@H]1CCN(Cc2[nH+]ccn2CC(F)F)C1 ZINC000878053691 590483318 /nfs/dbraw/zinc/48/33/18/590483318.db2.gz LNAMTFMSSCCSOR-QMMMGPOBSA-N 1 2 231.246 0.715 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878126613 590502101 /nfs/dbraw/zinc/50/21/01/590502101.db2.gz XWACLPGTHBPVPT-SECBINFHSA-N 1 2 245.273 0.962 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878126613 590502102 /nfs/dbraw/zinc/50/21/02/590502102.db2.gz XWACLPGTHBPVPT-SECBINFHSA-N 1 2 245.273 0.962 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878150912 590506810 /nfs/dbraw/zinc/50/68/10/590506810.db2.gz QNPUHZZYJZGZRX-VIFPVBQESA-N 1 2 247.302 0.412 20 0 BCADLO C[C@H]1CCC[N@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878150912 590506813 /nfs/dbraw/zinc/50/68/13/590506813.db2.gz QNPUHZZYJZGZRX-VIFPVBQESA-N 1 2 247.302 0.412 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000878156565 590508990 /nfs/dbraw/zinc/50/89/90/590508990.db2.gz TTWGEPHAPSMKTB-LLVKDONJSA-N 1 2 243.282 0.376 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000878156565 590508992 /nfs/dbraw/zinc/50/89/92/590508992.db2.gz TTWGEPHAPSMKTB-LLVKDONJSA-N 1 2 243.282 0.376 20 0 BCADLO CC(=O)CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000878266641 590531605 /nfs/dbraw/zinc/53/16/05/590531605.db2.gz YQGKNIFISCWBNX-SNVBAGLBSA-N 1 2 241.360 0.684 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC(C)(C)O ZINC000878315002 590541908 /nfs/dbraw/zinc/54/19/08/590541908.db2.gz CSORLUHOTQOENB-SECBINFHSA-N 1 2 227.308 0.363 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC(C)(C)O ZINC000878315002 590541911 /nfs/dbraw/zinc/54/19/11/590541911.db2.gz CSORLUHOTQOENB-SECBINFHSA-N 1 2 227.308 0.363 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000878323915 590545873 /nfs/dbraw/zinc/54/58/73/590545873.db2.gz FFNYOWNOORQMSL-QMMMGPOBSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000878323915 590545875 /nfs/dbraw/zinc/54/58/75/590545875.db2.gz FFNYOWNOORQMSL-QMMMGPOBSA-N 1 2 224.264 0.226 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC000878481972 590576370 /nfs/dbraw/zinc/57/63/70/590576370.db2.gz IKIWRVJESUWPBA-GXFFZTMASA-N 1 2 249.314 0.836 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC000878481972 590576372 /nfs/dbraw/zinc/57/63/72/590576372.db2.gz IKIWRVJESUWPBA-GXFFZTMASA-N 1 2 249.314 0.836 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000878500964 590580544 /nfs/dbraw/zinc/58/05/44/590580544.db2.gz KBUUEWRJUZRWEH-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000878500964 590580546 /nfs/dbraw/zinc/58/05/46/590580546.db2.gz KBUUEWRJUZRWEH-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000878506241 590581807 /nfs/dbraw/zinc/58/18/07/590581807.db2.gz GKOGQBVQKLWMLM-VIFPVBQESA-N 1 2 249.322 0.462 20 0 BCADLO FC(F)[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000878560608 590592177 /nfs/dbraw/zinc/59/21/77/590592177.db2.gz FGKZIJQMWDWOJB-SNVBAGLBSA-N 1 2 243.257 0.985 20 0 BCADLO FC(F)[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000878560608 590592178 /nfs/dbraw/zinc/59/21/78/590592178.db2.gz FGKZIJQMWDWOJB-SNVBAGLBSA-N 1 2 243.257 0.985 20 0 BCADLO Cn1nnnc1CC[N@@H+]1Cc2ccncc2C1 ZINC000878609208 590595751 /nfs/dbraw/zinc/59/57/51/590595751.db2.gz SWIVXLBIPYIWPZ-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO Cn1nnnc1CC[N@H+]1Cc2ccncc2C1 ZINC000878609208 590595752 /nfs/dbraw/zinc/59/57/52/590595752.db2.gz SWIVXLBIPYIWPZ-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3c(=O)[nH]ccn23)[C@H]1C ZINC000878651642 590602347 /nfs/dbraw/zinc/60/23/47/590602347.db2.gz BYBVFAYALAXDFE-SFYZADRCSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3c(=O)[nH]ccn23)[C@H]1C ZINC000878651642 590602348 /nfs/dbraw/zinc/60/23/48/590602348.db2.gz BYBVFAYALAXDFE-SFYZADRCSA-N 1 2 233.275 0.258 20 0 BCADLO CS(=O)(=O)CCCC[N@@H+]1CC[C@H](F)C1 ZINC000878663778 590605450 /nfs/dbraw/zinc/60/54/50/590605450.db2.gz PUQSFYLMSHOWMN-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)CCCC[N@H+]1CC[C@H](F)C1 ZINC000878663778 590605453 /nfs/dbraw/zinc/60/54/53/590605453.db2.gz PUQSFYLMSHOWMN-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878677231 590608108 /nfs/dbraw/zinc/60/81/08/590608108.db2.gz DHSHVOZUHLGMOR-RKDXNWHRSA-N 1 2 248.348 0.398 20 0 BCADLO Cc1conc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000878680806 590608658 /nfs/dbraw/zinc/60/86/58/590608658.db2.gz VVHLUYYMEYSJHP-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1conc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000878680806 590608659 /nfs/dbraw/zinc/60/86/59/590608659.db2.gz VVHLUYYMEYSJHP-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679448 590608745 /nfs/dbraw/zinc/60/87/45/590608745.db2.gz CWFBTDFYCKPXJQ-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679448 590608746 /nfs/dbraw/zinc/60/87/46/590608746.db2.gz CWFBTDFYCKPXJQ-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC000878682642 590609547 /nfs/dbraw/zinc/60/95/47/590609547.db2.gz PZMHRHZNLPDMOP-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC000878682642 590609548 /nfs/dbraw/zinc/60/95/48/590609548.db2.gz PZMHRHZNLPDMOP-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCC1CC1 ZINC000878699439 590611647 /nfs/dbraw/zinc/61/16/47/590611647.db2.gz DIOHNSBMFCKXQJ-NSHDSACASA-N 1 2 215.293 0.690 20 0 BCADLO O=C1CCC(=O)N1CC[N@H+]1CCC=C(Cl)C1 ZINC000878791017 590623650 /nfs/dbraw/zinc/62/36/50/590623650.db2.gz AXEFJUJJOBXPGA-UHFFFAOYSA-N 1 2 242.706 0.964 20 0 BCADLO O=C1CCC(=O)N1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791017 590623652 /nfs/dbraw/zinc/62/36/52/590623652.db2.gz AXEFJUJJOBXPGA-UHFFFAOYSA-N 1 2 242.706 0.964 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793429 590624320 /nfs/dbraw/zinc/62/43/20/590624320.db2.gz MPMBUINRZLZHDN-SSDOTTSWSA-N 1 2 245.710 0.659 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793429 590624321 /nfs/dbraw/zinc/62/43/21/590624321.db2.gz MPMBUINRZLZHDN-SSDOTTSWSA-N 1 2 245.710 0.659 20 0 BCADLO O=C(C[N@H+]1CCC=C(Cl)C1)N1CCOCC1 ZINC000878793050 590624503 /nfs/dbraw/zinc/62/45/03/590624503.db2.gz BTDYEUSNPTZCPR-UHFFFAOYSA-N 1 2 244.722 0.674 20 0 BCADLO O=C(C[N@@H+]1CCC=C(Cl)C1)N1CCOCC1 ZINC000878793050 590624505 /nfs/dbraw/zinc/62/45/05/590624505.db2.gz BTDYEUSNPTZCPR-UHFFFAOYSA-N 1 2 244.722 0.674 20 0 BCADLO Cl/C=C\C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000878807877 590626440 /nfs/dbraw/zinc/62/64/40/590626440.db2.gz JTPRVKGMYDTEJM-UPHRSURJSA-N 1 2 241.726 0.675 20 0 BCADLO O=C(COC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000878849088 590633122 /nfs/dbraw/zinc/63/31/22/590633122.db2.gz HDMYSKKMDPPZBL-UHFFFAOYSA-N 1 2 221.260 0.445 20 0 BCADLO O=c1sccn1CC[NH+]1CCOCC1 ZINC000127371592 590635415 /nfs/dbraw/zinc/63/54/15/590635415.db2.gz XPDKFNXFCHOPNI-UHFFFAOYSA-N 1 2 214.290 0.242 20 0 BCADLO Cn1cc(C2=CCC[N@@H+]([C@@H]3CCOC3=O)C2)cn1 ZINC000878906283 590645497 /nfs/dbraw/zinc/64/54/97/590645497.db2.gz UEXMJTPAGUKKJM-GFCCVEGCSA-N 1 2 247.298 0.825 20 0 BCADLO Cn1cc(C2=CCC[N@H+]([C@@H]3CCOC3=O)C2)cn1 ZINC000878906283 590645500 /nfs/dbraw/zinc/64/55/00/590645500.db2.gz UEXMJTPAGUKKJM-GFCCVEGCSA-N 1 2 247.298 0.825 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878975547 590666300 /nfs/dbraw/zinc/66/63/00/590666300.db2.gz FFIZYYUIUMWUAO-MGPLVRAMSA-N 1 2 239.344 0.992 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878975547 590666301 /nfs/dbraw/zinc/66/63/01/590666301.db2.gz FFIZYYUIUMWUAO-MGPLVRAMSA-N 1 2 239.344 0.992 20 0 BCADLO O=c1[nH]ccn2c(C[NH+](C3CC3)C3CC3)nnc12 ZINC000879037606 590684190 /nfs/dbraw/zinc/68/41/90/590684190.db2.gz KNFCLNZRQMJKCJ-UHFFFAOYSA-N 1 2 245.286 0.544 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000879042290 590685859 /nfs/dbraw/zinc/68/58/59/590685859.db2.gz YJYXNWPDPQMZTK-JTQLQIEISA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000879042290 590685860 /nfs/dbraw/zinc/68/58/60/590685860.db2.gz YJYXNWPDPQMZTK-JTQLQIEISA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000879042291 590686096 /nfs/dbraw/zinc/68/60/96/590686096.db2.gz YJYXNWPDPQMZTK-SNVBAGLBSA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000879042291 590686098 /nfs/dbraw/zinc/68/60/98/590686098.db2.gz YJYXNWPDPQMZTK-SNVBAGLBSA-N 1 2 240.282 0.445 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)OC2=O)cc[nH+]1 ZINC000879069113 590691429 /nfs/dbraw/zinc/69/14/29/590691429.db2.gz KKQBYKSCDFWDAD-WCBMZHEXSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000879072484 590691922 /nfs/dbraw/zinc/69/19/22/590691922.db2.gz BDBHVPAVENOWCE-WCBMZHEXSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1COCO1 ZINC000879073034 590691993 /nfs/dbraw/zinc/69/19/93/590691993.db2.gz LBATZLSTFYVROE-SECBINFHSA-N 1 2 237.259 0.306 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ncnn2C)C1 ZINC000879323516 590741724 /nfs/dbraw/zinc/74/17/24/590741724.db2.gz QLQRNRUPLCSJPB-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncnn2C)C1 ZINC000879323516 590741726 /nfs/dbraw/zinc/74/17/26/590741726.db2.gz QLQRNRUPLCSJPB-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000879324808 590743743 /nfs/dbraw/zinc/74/37/43/590743743.db2.gz JZPRCLHFNOUKEH-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000879324808 590743748 /nfs/dbraw/zinc/74/37/48/590743748.db2.gz JZPRCLHFNOUKEH-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)C12CCC(CC1)[N@H+]2CC(OC)OC ZINC000879329214 590747628 /nfs/dbraw/zinc/74/76/28/590747628.db2.gz ZSCIZYUHALCABX-UHFFFAOYSA-N 1 2 243.303 0.775 20 0 BCADLO COC(=O)C12CCC(CC1)[N@@H+]2CC(OC)OC ZINC000879329214 590747629 /nfs/dbraw/zinc/74/76/29/590747629.db2.gz ZSCIZYUHALCABX-UHFFFAOYSA-N 1 2 243.303 0.775 20 0 BCADLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)=O ZINC000879338324 590751314 /nfs/dbraw/zinc/75/13/14/590751314.db2.gz QWYYZSURQMVNPV-JTQLQIEISA-N 1 2 227.308 0.359 20 0 BCADLO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)=O ZINC000879338324 590751317 /nfs/dbraw/zinc/75/13/17/590751317.db2.gz QWYYZSURQMVNPV-JTQLQIEISA-N 1 2 227.308 0.359 20 0 BCADLO FCC[NH+]1CCN(CCc2cnccn2)CC1 ZINC000879421619 590766493 /nfs/dbraw/zinc/76/64/93/590766493.db2.gz IHMZCAXZFPHLTE-UHFFFAOYSA-N 1 2 238.310 0.606 20 0 BCADLO CCOC(=O)[C@@]1(C)C[N@H+](CCC(C)=O)CCO1 ZINC000879427585 590766710 /nfs/dbraw/zinc/76/67/10/590766710.db2.gz HFBLRYJMTZJAAS-GFCCVEGCSA-N 1 2 243.303 0.620 20 0 BCADLO CCOC(=O)[C@@]1(C)C[N@@H+](CCC(C)=O)CCO1 ZINC000879427585 590766714 /nfs/dbraw/zinc/76/67/14/590766714.db2.gz HFBLRYJMTZJAAS-GFCCVEGCSA-N 1 2 243.303 0.620 20 0 BCADLO COC(=O)C[NH2+][C@@](C)(CC(=O)OC)C1CC1 ZINC000879439685 590770085 /nfs/dbraw/zinc/77/00/85/590770085.db2.gz RVAFLWXGTVWPEQ-NSHDSACASA-N 1 2 229.276 0.481 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)COC1CC1 ZINC000879442314 590770993 /nfs/dbraw/zinc/77/09/93/590770993.db2.gz QOJDVRQBTPLSMS-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CCF)C2)C1 ZINC000879483760 590779295 /nfs/dbraw/zinc/77/92/95/590779295.db2.gz MEHSVWKXCDPLGW-JTQLQIEISA-N 1 2 230.239 0.350 20 0 BCADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC000879483760 590779298 /nfs/dbraw/zinc/77/92/98/590779298.db2.gz MEHSVWKXCDPLGW-JTQLQIEISA-N 1 2 230.239 0.350 20 0 BCADLO NC(=O)[C@H](C1CC1)[N@@H+](Cc1ncc[nH]1)CC1CC1 ZINC000879486842 590781468 /nfs/dbraw/zinc/78/14/68/590781468.db2.gz ANZVHXCAGFYXJP-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO NC(=O)[C@H](C1CC1)[N@H+](Cc1ncc[nH]1)CC1CC1 ZINC000879486842 590781470 /nfs/dbraw/zinc/78/14/70/590781470.db2.gz ANZVHXCAGFYXJP-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@@H]1O ZINC000879612293 590829558 /nfs/dbraw/zinc/82/95/58/590829558.db2.gz VCHKCDCWMDHYOM-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1O ZINC000879612293 590829561 /nfs/dbraw/zinc/82/95/61/590829561.db2.gz VCHKCDCWMDHYOM-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611341 590830092 /nfs/dbraw/zinc/83/00/92/590830092.db2.gz GUTUPLKWHFEOSL-AXFHLTTASA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611341 590830095 /nfs/dbraw/zinc/83/00/95/590830095.db2.gz GUTUPLKWHFEOSL-AXFHLTTASA-N 1 2 245.319 0.146 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611287 590830211 /nfs/dbraw/zinc/83/02/11/590830211.db2.gz DZDYDEXAMHUDFZ-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611287 590830213 /nfs/dbraw/zinc/83/02/13/590830213.db2.gz DZDYDEXAMHUDFZ-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2ccnn2C)C1=O ZINC000879686759 590848443 /nfs/dbraw/zinc/84/84/43/590848443.db2.gz ILWCBYYULHBTAG-BDAKNGLRSA-N 1 2 238.291 0.233 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CC[C@H](C)O ZINC000127988402 590864427 /nfs/dbraw/zinc/86/44/27/590864427.db2.gz FYRLVBJUQMJNCS-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000127988402 590864431 /nfs/dbraw/zinc/86/44/31/590864431.db2.gz FYRLVBJUQMJNCS-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]n1 ZINC000879776882 590867107 /nfs/dbraw/zinc/86/71/07/590867107.db2.gz LBKKRYCHBZJTIW-CLYYMRHHSA-N 1 2 236.319 0.930 20 0 BCADLO OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]n1 ZINC000879776882 590867110 /nfs/dbraw/zinc/86/71/10/590867110.db2.gz LBKKRYCHBZJTIW-CLYYMRHHSA-N 1 2 236.319 0.930 20 0 BCADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnon1 ZINC000879788238 590870059 /nfs/dbraw/zinc/87/00/59/590870059.db2.gz VIJWYETZMMLVMO-SECBINFHSA-N 1 2 219.248 0.891 20 0 BCADLO FC(F)[C@@H]1C[N@H+](C[C@H]2COCCO2)CCO1 ZINC000879948140 590895111 /nfs/dbraw/zinc/89/51/11/590895111.db2.gz VGFQHWGRTATHMT-IUCAKERBSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](C[C@H]2COCCO2)CCO1 ZINC000879948140 590895116 /nfs/dbraw/zinc/89/51/16/590895116.db2.gz VGFQHWGRTATHMT-IUCAKERBSA-N 1 2 237.246 0.368 20 0 BCADLO CCC(=O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879948617 590895664 /nfs/dbraw/zinc/89/56/64/590895664.db2.gz LMWQIUXYQPJBRG-MRXNPFEDSA-N 1 2 247.364 0.565 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCO ZINC000879980828 590902058 /nfs/dbraw/zinc/90/20/58/590902058.db2.gz MMZANUMOBUQRML-SECBINFHSA-N 1 2 201.266 0.300 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCC(=O)OC ZINC000879981950 590904252 /nfs/dbraw/zinc/90/42/52/590904252.db2.gz ABRCYOXCHJVQBA-JTQLQIEISA-N 1 2 243.303 0.871 20 0 BCADLO CC[NH2+][C@@H](Cc1cncs1)C(=O)OC ZINC000879991264 590905295 /nfs/dbraw/zinc/90/52/95/590905295.db2.gz JHONQSXSLAXMEC-QMMMGPOBSA-N 1 2 214.290 0.837 20 0 BCADLO O=C(COC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000880032249 590911834 /nfs/dbraw/zinc/91/18/34/590911834.db2.gz ATYLGGBIOZEXOG-UHFFFAOYSA-N 1 2 221.260 0.473 20 0 BCADLO O=C(COC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000880032249 590911839 /nfs/dbraw/zinc/91/18/39/590911839.db2.gz ATYLGGBIOZEXOG-UHFFFAOYSA-N 1 2 221.260 0.473 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H](C(F)(F)F)O1 ZINC000880055485 590915226 /nfs/dbraw/zinc/91/52/26/590915226.db2.gz ZGNNTKBCORJQLB-RQJHMYQMSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H](C(F)(F)F)O1 ZINC000880055485 590915228 /nfs/dbraw/zinc/91/52/28/590915228.db2.gz ZGNNTKBCORJQLB-RQJHMYQMSA-N 1 2 240.225 0.513 20 0 BCADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCS(C)(=O)=O ZINC000880130269 590932553 /nfs/dbraw/zinc/93/25/53/590932553.db2.gz NYBSKJDLYHOFCH-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCS(C)(=O)=O ZINC000880130269 590932554 /nfs/dbraw/zinc/93/25/54/590932554.db2.gz NYBSKJDLYHOFCH-MNOVXSKESA-N 1 2 246.376 0.200 20 0 BCADLO CC(C)(O)[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000880149224 590945585 /nfs/dbraw/zinc/94/55/85/590945585.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000880149224 590945586 /nfs/dbraw/zinc/94/55/86/590945586.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000880149224 590945589 /nfs/dbraw/zinc/94/55/89/590945589.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000880149224 590945590 /nfs/dbraw/zinc/94/55/90/590945590.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000880149224 590945592 /nfs/dbraw/zinc/94/55/92/590945592.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000880149224 590945595 /nfs/dbraw/zinc/94/55/95/590945595.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO O=C1C[N@H+](CC2CCCCC2)C2(COC2)CN1 ZINC000880160903 590947603 /nfs/dbraw/zinc/94/76/03/590947603.db2.gz VWFANCHAQGVTRD-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO O=C1C[N@@H+](CC2CCCCC2)C2(COC2)CN1 ZINC000880160903 590947606 /nfs/dbraw/zinc/94/76/06/590947606.db2.gz VWFANCHAQGVTRD-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO CC(C)(NC(=O)COC1CC1)c1[nH]cc[nH+]1 ZINC000880218792 590960417 /nfs/dbraw/zinc/96/04/17/590960417.db2.gz QNMXYDWGFJGLOP-UHFFFAOYSA-N 1 2 223.276 0.940 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)O)C1CCOCC1 ZINC000880339743 591006488 /nfs/dbraw/zinc/00/64/88/591006488.db2.gz DJECWGRHMVSAIF-MWLCHTKSSA-N 1 2 245.319 0.315 20 0 BCADLO O=C1CC[N@H+](CC2=CCCC2)C2(COC2)CN1 ZINC000880401800 591022587 /nfs/dbraw/zinc/02/25/87/591022587.db2.gz AYPGAPOGSWQINB-UHFFFAOYSA-N 1 2 236.315 0.688 20 0 BCADLO O=C1CC[N@@H+](CC2=CCCC2)C2(COC2)CN1 ZINC000880401800 591022592 /nfs/dbraw/zinc/02/25/92/591022592.db2.gz AYPGAPOGSWQINB-UHFFFAOYSA-N 1 2 236.315 0.688 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000880418532 591027091 /nfs/dbraw/zinc/02/70/91/591027091.db2.gz BWCQZYDCOUBNCK-ONGXEEELSA-N 1 2 222.292 0.173 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000880418532 591027094 /nfs/dbraw/zinc/02/70/94/591027094.db2.gz BWCQZYDCOUBNCK-ONGXEEELSA-N 1 2 222.292 0.173 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880421198 591030675 /nfs/dbraw/zinc/03/06/75/591030675.db2.gz WYFQINWKZXVJEW-GWCFXTLKSA-N 1 2 247.298 0.395 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880421198 591030677 /nfs/dbraw/zinc/03/06/77/591030677.db2.gz WYFQINWKZXVJEW-GWCFXTLKSA-N 1 2 247.298 0.395 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880426810 591033115 /nfs/dbraw/zinc/03/31/15/591033115.db2.gz XLEQSPJCUWGYPZ-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880426810 591033119 /nfs/dbraw/zinc/03/31/19/591033119.db2.gz XLEQSPJCUWGYPZ-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1csnn1 ZINC000880437661 591039759 /nfs/dbraw/zinc/03/97/59/591039759.db2.gz OUYXKPJDZHCNEI-VHSXEESVSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1csnn1 ZINC000880437661 591039764 /nfs/dbraw/zinc/03/97/64/591039764.db2.gz OUYXKPJDZHCNEI-VHSXEESVSA-N 1 2 243.332 0.774 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000880483067 591055359 /nfs/dbraw/zinc/05/53/59/591055359.db2.gz AICAGKPKIWWGBX-NSHDSACASA-N 1 2 230.271 0.462 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cn2cccnc2n1 ZINC000880483067 591055363 /nfs/dbraw/zinc/05/53/63/591055363.db2.gz AICAGKPKIWWGBX-NSHDSACASA-N 1 2 230.271 0.462 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000880489072 591065485 /nfs/dbraw/zinc/06/54/85/591065485.db2.gz PRLSMHXKFISCLU-SECBINFHSA-N 1 2 225.679 0.863 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000880489072 591065489 /nfs/dbraw/zinc/06/54/89/591065489.db2.gz PRLSMHXKFISCLU-SECBINFHSA-N 1 2 225.679 0.863 20 0 BCADLO Cc1cnc(C[N@H+]2CC=C[C@H]2CO)nc1 ZINC000880488687 591065942 /nfs/dbraw/zinc/06/59/42/591065942.db2.gz KCWLELPKRBJCIH-JTQLQIEISA-N 1 2 205.261 0.518 20 0 BCADLO Cc1cnc(C[N@@H+]2CC=C[C@H]2CO)nc1 ZINC000880488687 591065941 /nfs/dbraw/zinc/06/59/41/591065941.db2.gz KCWLELPKRBJCIH-JTQLQIEISA-N 1 2 205.261 0.518 20 0 BCADLO CCn1ncc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880491164 591067557 /nfs/dbraw/zinc/06/75/57/591067557.db2.gz HOPLDHNHGMOTIA-SNVBAGLBSA-N 1 2 208.265 0.031 20 0 BCADLO CCn1ncc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880491164 591067559 /nfs/dbraw/zinc/06/75/59/591067559.db2.gz HOPLDHNHGMOTIA-SNVBAGLBSA-N 1 2 208.265 0.031 20 0 BCADLO CCn1nncc1C[N@@H+]1CC=C[C@H]1CO ZINC000880491092 591068981 /nfs/dbraw/zinc/06/89/81/591068981.db2.gz GCANWFMBFASERL-VIFPVBQESA-N 1 2 208.265 0.031 20 0 BCADLO CCn1nncc1C[N@H+]1CC=C[C@H]1CO ZINC000880491092 591068985 /nfs/dbraw/zinc/06/89/85/591068985.db2.gz GCANWFMBFASERL-VIFPVBQESA-N 1 2 208.265 0.031 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880492295 591069461 /nfs/dbraw/zinc/06/94/61/591069461.db2.gz PSMPEFSCBJTYTL-MRVPVSSYSA-N 1 2 211.290 0.579 20 0 BCADLO Cc1nnsc1C[N@H+]1CC=C[C@@H]1CO ZINC000880492295 591069469 /nfs/dbraw/zinc/06/94/69/591069469.db2.gz PSMPEFSCBJTYTL-MRVPVSSYSA-N 1 2 211.290 0.579 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC=C[C@H]2CO)on1 ZINC000880491989 591069477 /nfs/dbraw/zinc/06/94/77/591069477.db2.gz MXKBOXFRYZYIPE-VIFPVBQESA-N 1 2 222.244 0.610 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC=C[C@H]2CO)on1 ZINC000880491989 591069482 /nfs/dbraw/zinc/06/94/82/591069482.db2.gz MXKBOXFRYZYIPE-VIFPVBQESA-N 1 2 222.244 0.610 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000880493172 591071004 /nfs/dbraw/zinc/07/10/04/591071004.db2.gz ZHDNXNXYZWGSTL-LLVKDONJSA-N 1 2 248.330 0.737 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000880493172 591071010 /nfs/dbraw/zinc/07/10/10/591071010.db2.gz ZHDNXNXYZWGSTL-LLVKDONJSA-N 1 2 248.330 0.737 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000880493174 591071607 /nfs/dbraw/zinc/07/16/07/591071607.db2.gz ZHDNXNXYZWGSTL-NSHDSACASA-N 1 2 248.330 0.737 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000880493174 591071611 /nfs/dbraw/zinc/07/16/11/591071611.db2.gz ZHDNXNXYZWGSTL-NSHDSACASA-N 1 2 248.330 0.737 20 0 BCADLO OC[C@@H]1C=CCN1Cc1[nH+]ccn1CC(F)F ZINC000880494958 591072807 /nfs/dbraw/zinc/07/28/07/591072807.db2.gz WYEYHWURZBLCSA-VIFPVBQESA-N 1 2 243.257 0.881 20 0 BCADLO O=C1NCC[C@H]2CCC[N@H+](Cc3ccno3)[C@@H]12 ZINC000880529776 591085146 /nfs/dbraw/zinc/08/51/46/591085146.db2.gz NBQPUVMUIVQWTI-MWLCHTKSSA-N 1 2 235.287 0.775 20 0 BCADLO O=C1NCC[C@H]2CCC[N@@H+](Cc3ccno3)[C@@H]12 ZINC000880529776 591085150 /nfs/dbraw/zinc/08/51/50/591085150.db2.gz NBQPUVMUIVQWTI-MWLCHTKSSA-N 1 2 235.287 0.775 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880587423 591101693 /nfs/dbraw/zinc/10/16/93/591101693.db2.gz CYAGUHPUDXPWCJ-JTQLQIEISA-N 1 2 243.351 0.297 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880587423 591101695 /nfs/dbraw/zinc/10/16/95/591101695.db2.gz CYAGUHPUDXPWCJ-JTQLQIEISA-N 1 2 243.351 0.297 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2ncncc2C1 ZINC000880593150 591105249 /nfs/dbraw/zinc/10/52/49/591105249.db2.gz OTOVTFMUIJMKMC-VIFPVBQESA-N 1 2 246.314 0.502 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2ncncc2C1 ZINC000880593150 591105253 /nfs/dbraw/zinc/10/52/53/591105253.db2.gz OTOVTFMUIJMKMC-VIFPVBQESA-N 1 2 246.314 0.502 20 0 BCADLO c1ncc2c(n1)CC[N@@H+](CC1OCCO1)C2 ZINC000880597411 591106703 /nfs/dbraw/zinc/10/67/03/591106703.db2.gz VZROIJOGSKARLP-UHFFFAOYSA-N 1 2 221.260 0.208 20 0 BCADLO c1ncc2c(n1)CC[N@H+](CC1OCCO1)C2 ZINC000880597411 591106707 /nfs/dbraw/zinc/10/67/07/591106707.db2.gz VZROIJOGSKARLP-UHFFFAOYSA-N 1 2 221.260 0.208 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000880727560 591129073 /nfs/dbraw/zinc/12/90/73/591129073.db2.gz PAYOGLSMIZCLGO-QMMMGPOBSA-N 1 2 237.328 0.677 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000880727840 591129143 /nfs/dbraw/zinc/12/91/43/591129143.db2.gz WFUDKAKEKDEGOB-QMMMGPOBSA-N 1 2 237.328 0.677 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CSC1 ZINC000880728178 591129578 /nfs/dbraw/zinc/12/95/78/591129578.db2.gz XNCUGWBMPHCCTF-ZETCQYMHSA-N 1 2 225.317 0.820 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CSC1 ZINC000880728178 591129580 /nfs/dbraw/zinc/12/95/80/591129580.db2.gz XNCUGWBMPHCCTF-ZETCQYMHSA-N 1 2 225.317 0.820 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)NCCF)cc2C1 ZINC000880818799 591143757 /nfs/dbraw/zinc/14/37/57/591143757.db2.gz ICVJMXHHHOEQEJ-UHFFFAOYSA-N 1 2 241.270 0.420 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)NCCF)cc2C1 ZINC000880818799 591143759 /nfs/dbraw/zinc/14/37/59/591143759.db2.gz ICVJMXHHHOEQEJ-UHFFFAOYSA-N 1 2 241.270 0.420 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)NCC3CC3)cc2C1 ZINC000880810315 591143962 /nfs/dbraw/zinc/14/39/62/591143962.db2.gz JDULLPRYLPDMSE-UHFFFAOYSA-N 1 2 249.318 0.860 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)NCC3CC3)cc2C1 ZINC000880810315 591143965 /nfs/dbraw/zinc/14/39/65/591143965.db2.gz JDULLPRYLPDMSE-UHFFFAOYSA-N 1 2 249.318 0.860 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888840907 591144570 /nfs/dbraw/zinc/14/45/70/591144570.db2.gz PVUNULFCYXCCFB-ULHKAFAUSA-N 1 2 233.271 0.175 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnsn1 ZINC000128724664 591156891 /nfs/dbraw/zinc/15/68/91/591156891.db2.gz IJJDBDGHQGXCSY-UHFFFAOYSA-N 1 2 223.261 0.234 20 0 BCADLO COc1cc[nH+]c(Cn2cc([C@H](C)O)nn2)c1 ZINC000881286681 591181018 /nfs/dbraw/zinc/18/10/18/591181018.db2.gz BXJCMCKFSNZDLD-QMMMGPOBSA-N 1 2 234.259 0.783 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000881299880 591182715 /nfs/dbraw/zinc/18/27/15/591182715.db2.gz ZCEIULWEBIRLHE-LLVKDONJSA-N 1 2 235.291 0.677 20 0 BCADLO C[C@H](O)c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381374 591198264 /nfs/dbraw/zinc/19/82/64/591198264.db2.gz YGWRFWYFLSGAJQ-VIFPVBQESA-N 1 2 247.302 0.841 20 0 BCADLO CN(C)c1ccc(Cn2cc(CON)nn2)c[nH+]1 ZINC000881380457 591198328 /nfs/dbraw/zinc/19/83/28/591198328.db2.gz BEFFPRCYEMDKPX-UHFFFAOYSA-N 1 2 248.290 0.178 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(C/C=C/Cl)nn1 ZINC000881427511 591204623 /nfs/dbraw/zinc/20/46/23/591204623.db2.gz MYHAZPFTJTUDLL-UFUPEUMYSA-N 1 2 244.682 0.073 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000881480378 591208769 /nfs/dbraw/zinc/20/87/69/591208769.db2.gz SILPXJKPFJSEAM-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CO[C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000881573051 591245425 /nfs/dbraw/zinc/24/54/25/591245425.db2.gz OGXGWISDUURWMA-XYPYZODXSA-N 1 2 237.303 0.814 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(F)CC1 ZINC000881612372 591257181 /nfs/dbraw/zinc/25/71/81/591257181.db2.gz JSYIFYVRCDTRHA-NSHDSACASA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(F)CC1 ZINC000881612372 591257185 /nfs/dbraw/zinc/25/71/85/591257185.db2.gz JSYIFYVRCDTRHA-NSHDSACASA-N 1 2 244.310 0.668 20 0 BCADLO Cc1[nH+]cnc(N2CCC[C@@H](C(N)=O)C2)c1C ZINC000881754217 591269465 /nfs/dbraw/zinc/26/94/65/591269465.db2.gz KJRFZCSJZDIWEO-SNVBAGLBSA-N 1 2 234.303 0.795 20 0 BCADLO CCOC(C[N@@H+]1C[C@@H](CO)OC[C@@H]1C)OCC ZINC000129267276 591273360 /nfs/dbraw/zinc/27/33/60/591273360.db2.gz GKXBVFVARRICNP-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@@H](CO)OC[C@@H]1C)OCC ZINC000129267276 591273361 /nfs/dbraw/zinc/27/33/61/591273361.db2.gz GKXBVFVARRICNP-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CCC2)CC[N@H+]1C ZINC000882037500 591290788 /nfs/dbraw/zinc/29/07/88/591290788.db2.gz FQOKBVTYMIDUBG-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CCC2)CC[N@@H+]1C ZINC000882037500 591290790 /nfs/dbraw/zinc/29/07/90/591290790.db2.gz FQOKBVTYMIDUBG-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037497 591290857 /nfs/dbraw/zinc/29/08/57/591290857.db2.gz FQOKBVTYMIDUBG-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037497 591290858 /nfs/dbraw/zinc/29/08/58/591290858.db2.gz FQOKBVTYMIDUBG-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037498 591290964 /nfs/dbraw/zinc/29/09/64/591290964.db2.gz FQOKBVTYMIDUBG-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037498 591290965 /nfs/dbraw/zinc/29/09/65/591290965.db2.gz FQOKBVTYMIDUBG-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO Cc1[nH+]cnc(N2CCC(NC(N)=O)CC2)c1C ZINC000882050549 591291550 /nfs/dbraw/zinc/29/15/50/591291550.db2.gz CPAZZOUFYUVIIE-UHFFFAOYSA-N 1 2 249.318 0.731 20 0 BCADLO Cc1[nH+]cnc(NCCc2nnc[nH]2)c1C ZINC000882084044 591295251 /nfs/dbraw/zinc/29/52/51/591295251.db2.gz NIMYOMRRYKCPGI-UHFFFAOYSA-N 1 2 218.264 0.866 20 0 BCADLO O=C1OC[C@@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000882099712 591298099 /nfs/dbraw/zinc/29/80/99/591298099.db2.gz PIBNRZNKLANPQO-JTQLQIEISA-N 1 2 249.270 0.215 20 0 BCADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000882225316 591317968 /nfs/dbraw/zinc/31/79/68/591317968.db2.gz BXBJFUUNBPRXNK-VIFPVBQESA-N 1 2 241.316 0.800 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1cc(CO)cc[nH+]1 ZINC000882237113 591319111 /nfs/dbraw/zinc/31/91/11/591319111.db2.gz FGYYDLICZALMQL-VIFPVBQESA-N 1 2 235.287 0.241 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1cc(CO)cc[nH+]1 ZINC000882237111 591319132 /nfs/dbraw/zinc/31/91/32/591319132.db2.gz FGYYDLICZALMQL-SECBINFHSA-N 1 2 235.287 0.241 20 0 BCADLO CNS(=O)(=O)CCNc1nc[nH+]c(C)c1C ZINC000882235959 591319532 /nfs/dbraw/zinc/31/95/32/591319532.db2.gz BWRZQRCBBGDTHY-UHFFFAOYSA-N 1 2 244.320 0.055 20 0 BCADLO Cn1c[nH+]c(CCNS(=O)(=O)C2CCC2)c1 ZINC000882248517 591321581 /nfs/dbraw/zinc/32/15/81/591321581.db2.gz KKHYVLBBPHZWHN-UHFFFAOYSA-N 1 2 243.332 0.435 20 0 BCADLO CC(C)CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000882350019 591336861 /nfs/dbraw/zinc/33/68/61/591336861.db2.gz DYONZZHBFIZZPH-UHFFFAOYSA-N 1 2 248.392 0.998 20 0 BCADLO CC(C)CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000882350019 591336863 /nfs/dbraw/zinc/33/68/63/591336863.db2.gz DYONZZHBFIZZPH-UHFFFAOYSA-N 1 2 248.392 0.998 20 0 BCADLO Cc1[nH+]cnc(N2C[C@@H]3COC(=O)[C@@H]3C2)c1C ZINC000882671486 591408656 /nfs/dbraw/zinc/40/86/56/591408656.db2.gz XNTCMUHBQZPCGT-NXEZZACHSA-N 1 2 233.271 0.703 20 0 BCADLO OCc1cc[nH+]c(NC[C@H]2C[C@H](O)C2)c1 ZINC000882716375 591419976 /nfs/dbraw/zinc/41/99/76/591419976.db2.gz MWASGIIZZSNMLV-MGCOHNPYSA-N 1 2 208.261 0.757 20 0 BCADLO CCN(CC(=O)NC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213252849 591457780 /nfs/dbraw/zinc/45/77/80/591457780.db2.gz ARTXQBMYUXEATH-SECBINFHSA-N 1 2 237.303 0.707 20 0 BCADLO C[C@@H](O)c1ccc(N(C)CC(=O)NC2CC2)[nH+]c1 ZINC000213278264 591458961 /nfs/dbraw/zinc/45/89/61/591458961.db2.gz YNSQRXZCPZYKSA-SECBINFHSA-N 1 2 249.314 0.850 20 0 BCADLO CCCNc1cc(N2C[C@@H]3C[C@]3(O)C2)nc[nH+]1 ZINC000882933483 591477045 /nfs/dbraw/zinc/47/70/45/591477045.db2.gz HLOOIVKXHVUHBX-CABZTGNLSA-N 1 2 234.303 0.870 20 0 BCADLO CCCNc1cc(N2C[C@@H]3C[C@]3(O)C2)[nH+]cn1 ZINC000882933483 591477048 /nfs/dbraw/zinc/47/70/48/591477048.db2.gz HLOOIVKXHVUHBX-CABZTGNLSA-N 1 2 234.303 0.870 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC=C[C@@H]1CO ZINC000882977067 591489645 /nfs/dbraw/zinc/48/96/45/591489645.db2.gz WNEHSHNNPHKRGZ-MRVPVSSYSA-N 1 2 231.259 0.100 20 0 BCADLO CCO[C@@H](CO[NH+]=C(N)CO)C1CC1 ZINC000883013076 591514105 /nfs/dbraw/zinc/51/41/05/591514105.db2.gz DDWJNLGVVSXLIS-QMMMGPOBSA-N 1 2 202.254 0.292 20 0 BCADLO C[C@@H](O[NH+]=C(N)CCO)c1ncccn1 ZINC000882987344 591495541 /nfs/dbraw/zinc/49/55/41/591495541.db2.gz AIEAICSYAPNQBI-SSDOTTSWSA-N 1 2 210.237 0.418 20 0 BCADLO COC(=O)[C@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000883000513 591502990 /nfs/dbraw/zinc/50/29/90/591502990.db2.gz DKBJUNJGRJUTMO-NSHDSACASA-N 1 2 240.234 0.335 20 0 BCADLO CCCNc1cc(N[C@@H](C)C(=O)NC)nc[nH+]1 ZINC000130697963 591503109 /nfs/dbraw/zinc/50/31/09/591503109.db2.gz RAEASMLSLARUOM-QMMMGPOBSA-N 1 2 237.307 0.845 20 0 BCADLO CCCNc1cc(N[C@@H](C)C(=O)NC)[nH+]cn1 ZINC000130697963 591503113 /nfs/dbraw/zinc/50/31/13/591503113.db2.gz RAEASMLSLARUOM-QMMMGPOBSA-N 1 2 237.307 0.845 20 0 BCADLO COc1ccc(OCCO[NH+]=C(N)CO)cc1 ZINC000883009945 591510385 /nfs/dbraw/zinc/51/03/85/591510385.db2.gz ZIUYAZOJZJLVIS-UHFFFAOYSA-N 1 2 240.259 0.565 20 0 BCADLO NC(CO)=[NH+]OCCc1ccc(F)c(F)c1 ZINC000883011763 591510513 /nfs/dbraw/zinc/51/05/13/591510513.db2.gz ILNYFBHQZWQXAG-UHFFFAOYSA-N 1 2 230.214 0.998 20 0 BCADLO COc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883011691 591510801 /nfs/dbraw/zinc/51/08/01/591510801.db2.gz GFPUOPVCGNLEOC-UHFFFAOYSA-N 1 2 210.233 0.686 20 0 BCADLO NC(CO)=[NH+]OCc1ccnc(Cl)c1 ZINC000883010838 591511033 /nfs/dbraw/zinc/51/10/33/591511033.db2.gz CCYKFMOBACRTNM-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO Cc1ncsc1CCO[NH+]=C(N)CO ZINC000883010933 591511358 /nfs/dbraw/zinc/51/13/58/591511358.db2.gz FFWSDOHDQFARHU-UHFFFAOYSA-N 1 2 215.278 0.485 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)CO ZINC000883009934 591511627 /nfs/dbraw/zinc/51/16/27/591511627.db2.gz ZAGLVGDPBITNKP-BDAKNGLRSA-N 1 2 243.307 0.172 20 0 BCADLO CO[C@H](CO[NH+]=C(N)CO)CC(C)C ZINC000883012328 591512242 /nfs/dbraw/zinc/51/22/42/591512242.db2.gz BQNHVYLSRCFEBT-QMMMGPOBSA-N 1 2 204.270 0.538 20 0 BCADLO NC(CO)=[NH+]OCc1cc2n(n1)CCCC2 ZINC000883012508 591512895 /nfs/dbraw/zinc/51/28/95/591512895.db2.gz IWIKOVOFQMYLFM-UHFFFAOYSA-N 1 2 224.264 0.210 20 0 BCADLO Cc1nc(CCO[NH+]=C(N)CO)cs1 ZINC000883011930 591513104 /nfs/dbraw/zinc/51/31/04/591513104.db2.gz NMGLJXJDXFFJAL-UHFFFAOYSA-N 1 2 215.278 0.485 20 0 BCADLO NC(CO)=[NH+]OCCOCc1ccccc1 ZINC000883013696 591514994 /nfs/dbraw/zinc/51/49/94/591514994.db2.gz XDIYQWAEYUNSQB-UHFFFAOYSA-N 1 2 224.260 0.694 20 0 BCADLO NC(CO)=[NH+]OCc1nc2c(o1)CCCC2 ZINC000883013112 591515025 /nfs/dbraw/zinc/51/50/25/591515025.db2.gz FREPXZQYFSOZGT-UHFFFAOYSA-N 1 2 225.248 0.544 20 0 BCADLO NC(=[NH+]O[C@H]1CCNC1=O)c1ccccc1 ZINC000883048320 591528562 /nfs/dbraw/zinc/52/85/62/591528562.db2.gz MJOGXJMZBDGYLJ-VIFPVBQESA-N 1 2 219.244 0.422 20 0 BCADLO COCc1cc(C[NH2+]CC2(C)OCCO2)no1 ZINC000883080011 591535866 /nfs/dbraw/zinc/53/58/66/591535866.db2.gz NDECYZPXZJTXOB-UHFFFAOYSA-N 1 2 242.275 0.674 20 0 BCADLO CCC[NH+](CCC)Cn1ncn(C)c1=O ZINC000130943959 591537647 /nfs/dbraw/zinc/53/76/47/591537647.db2.gz GGYCBSOJMUBKKF-UHFFFAOYSA-N 1 2 212.297 0.661 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)ns1 ZINC000883152716 591554889 /nfs/dbraw/zinc/55/48/89/591554889.db2.gz FKGRSOZONJCPOZ-MRVPVSSYSA-N 1 2 240.332 0.671 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)ns1 ZINC000883152716 591554891 /nfs/dbraw/zinc/55/48/91/591554891.db2.gz FKGRSOZONJCPOZ-MRVPVSSYSA-N 1 2 240.332 0.671 20 0 BCADLO COC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCOC1 ZINC000883187813 591566922 /nfs/dbraw/zinc/56/69/22/591566922.db2.gz WZMNWTDGPBGMJM-JQWIXIFHSA-N 1 2 239.319 0.941 20 0 BCADLO CCC1CC[NH+](Cn2ncn(C)c2=O)CC1 ZINC000131356181 591600076 /nfs/dbraw/zinc/60/00/76/591600076.db2.gz VDIBHURNGLFYEX-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@H](CF)C1 ZINC000883322453 591616546 /nfs/dbraw/zinc/61/65/46/591616546.db2.gz HESIVMRSZNGJEJ-SECBINFHSA-N 1 2 240.282 0.921 20 0 BCADLO Cn1cnn(C[N@@H+](C)CC2CCCC2)c1=O ZINC000131881456 591674519 /nfs/dbraw/zinc/67/45/19/591674519.db2.gz UJZVNIRDMIREGX-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cn1cnn(C[N@H+](C)CC2CCCC2)c1=O ZINC000131881456 591674515 /nfs/dbraw/zinc/67/45/15/591674515.db2.gz UJZVNIRDMIREGX-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC[C@H]1C ZINC000214602986 591675024 /nfs/dbraw/zinc/67/50/24/591675024.db2.gz FWVPBDMOIGERDW-ZUYFITGHSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCOC[C@H]1C ZINC000214602986 591675028 /nfs/dbraw/zinc/67/50/28/591675028.db2.gz FWVPBDMOIGERDW-ZUYFITGHSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000214628903 591675557 /nfs/dbraw/zinc/67/55/57/591675557.db2.gz IHSXNQXNXQWCMQ-ABRRARGCSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000214628903 591675559 /nfs/dbraw/zinc/67/55/59/591675559.db2.gz IHSXNQXNXQWCMQ-ABRRARGCSA-N 1 2 240.303 0.446 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000889333444 591772430 /nfs/dbraw/zinc/77/24/30/591772430.db2.gz BQUJJBKBGRXMRA-QWRGUYRKSA-N 1 2 237.303 0.896 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000889334229 591773297 /nfs/dbraw/zinc/77/32/97/591773297.db2.gz LVUMXBUOCBVZFM-WDEREUQCSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000889334229 591773300 /nfs/dbraw/zinc/77/33/00/591773300.db2.gz LVUMXBUOCBVZFM-WDEREUQCSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc3cnccn3c2=O)[C@@H]1C ZINC000133420414 591790123 /nfs/dbraw/zinc/79/01/23/591790123.db2.gz DEIVKUHXONCRFM-NXEZZACHSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)[C@@H]1C ZINC000133420414 591790127 /nfs/dbraw/zinc/79/01/27/591790127.db2.gz DEIVKUHXONCRFM-NXEZZACHSA-N 1 2 247.302 0.579 20 0 BCADLO CCn1cc(C[N@@H+]2CCC[C@@H](OC)C2)nn1 ZINC000883999750 591790221 /nfs/dbraw/zinc/79/02/21/591790221.db2.gz RQHRPWCBITXSPL-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCC[C@@H](OC)C2)nn1 ZINC000883999750 591790222 /nfs/dbraw/zinc/79/02/22/591790222.db2.gz RQHRPWCBITXSPL-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+](C)C[C@H]2CCCO2)nn1 ZINC000883998485 591790499 /nfs/dbraw/zinc/79/04/99/591790499.db2.gz VIBGYYCJJJKXRC-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@@H+](C)C[C@H]2CCCO2)nn1 ZINC000883998485 591790506 /nfs/dbraw/zinc/79/05/06/591790506.db2.gz VIBGYYCJJJKXRC-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CCOC2)nn1 ZINC000884001631 591792323 /nfs/dbraw/zinc/79/23/23/591792323.db2.gz WJWZTEGLZZQBDI-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1 ZINC000884001631 591792325 /nfs/dbraw/zinc/79/23/25/591792325.db2.gz WJWZTEGLZZQBDI-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCCOCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800150936 591828661 /nfs/dbraw/zinc/82/86/61/591828661.db2.gz GUYPIBOPLKMWGC-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCCOCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800150936 591828665 /nfs/dbraw/zinc/82/86/65/591828665.db2.gz GUYPIBOPLKMWGC-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C(C)(C)CO)CCO1 ZINC000800159691 591828989 /nfs/dbraw/zinc/82/89/89/591828989.db2.gz WRESCYPJLIWOHY-SNVBAGLBSA-N 1 2 245.319 0.269 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C(C)(C)CO)CCO1 ZINC000800159691 591828991 /nfs/dbraw/zinc/82/89/91/591828991.db2.gz WRESCYPJLIWOHY-SNVBAGLBSA-N 1 2 245.319 0.269 20 0 BCADLO CO[C@H](C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800155865 591829269 /nfs/dbraw/zinc/82/92/69/591829269.db2.gz ZDQYCDOXJFTOJL-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@H](C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800155865 591829273 /nfs/dbraw/zinc/82/92/73/591829273.db2.gz ZDQYCDOXJFTOJL-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H]1CC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000133600069 591832826 /nfs/dbraw/zinc/83/28/26/591832826.db2.gz CISCUIIPCIKVDS-JTQLQIEISA-N 1 2 247.302 0.580 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000133600069 591832828 /nfs/dbraw/zinc/83/28/28/591832828.db2.gz CISCUIIPCIKVDS-JTQLQIEISA-N 1 2 247.302 0.580 20 0 BCADLO CN(CCCF)C(=O)NCCn1cc[nH+]c1 ZINC000884195218 591872579 /nfs/dbraw/zinc/87/25/79/591872579.db2.gz GBFGWPUXEQPSGZ-UHFFFAOYSA-N 1 2 228.271 0.884 20 0 BCADLO CCc1nc(N2CC[C@@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000884490261 591954659 /nfs/dbraw/zinc/95/46/59/591954659.db2.gz RSGAJLMRKCHIRE-CYBMUJFWSA-N 1 2 246.314 0.755 20 0 BCADLO CCc1nc(N[C@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000884496584 591957019 /nfs/dbraw/zinc/95/70/19/591957019.db2.gz AGKSHLYQBYXENS-LDYMZIIASA-N 1 2 234.303 0.976 20 0 BCADLO CCc1nc(N[C@@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000884496582 591957248 /nfs/dbraw/zinc/95/72/48/591957248.db2.gz AGKSHLYQBYXENS-KCJUWKMLSA-N 1 2 234.303 0.976 20 0 BCADLO CCc1nc(N(C)CCOCCO)cc[nH+]1 ZINC000884497615 591957996 /nfs/dbraw/zinc/95/79/96/591957996.db2.gz CMJXDDAUKRVVGF-UHFFFAOYSA-N 1 2 225.292 0.484 20 0 BCADLO CCc1nc(N2CC[C@@H](CC(N)=O)C2)cc[nH+]1 ZINC000884509810 591960888 /nfs/dbraw/zinc/96/08/88/591960888.db2.gz QAUKGCXPJWOQEA-VIFPVBQESA-N 1 2 234.303 0.741 20 0 BCADLO CCc1nc(N2CCN(OC)CC2)cc[nH+]1 ZINC000884524210 591965637 /nfs/dbraw/zinc/96/56/37/591965637.db2.gz RITXUFQJPYQZKN-UHFFFAOYSA-N 1 2 222.292 0.722 20 0 BCADLO CCc1nc(N[C@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000884559218 591979412 /nfs/dbraw/zinc/97/94/12/591979412.db2.gz PCUQFIDQOJHCTI-JTQLQIEISA-N 1 2 234.303 0.976 20 0 BCADLO CCc1nc(N[C@@H]2CCOC[C@H]2O)cc[nH+]1 ZINC000884566156 591983248 /nfs/dbraw/zinc/98/32/48/591983248.db2.gz CMIULMDTUJPFFM-RKDXNWHRSA-N 1 2 223.276 0.601 20 0 BCADLO CCc1nc(NC[C@H](O)[C@H](C)O)cc[nH+]1 ZINC000884572899 591984486 /nfs/dbraw/zinc/98/44/86/591984486.db2.gz YERWITIACFDSEA-YUMQZZPRSA-N 1 2 211.265 0.193 20 0 BCADLO OC[C@@H](C[C@H]1CCCO1)Nc1cc[nH+]cc1F ZINC000884615656 591994245 /nfs/dbraw/zinc/99/42/45/591994245.db2.gz LGMKDHKHGBNNNE-NXEZZACHSA-N 1 2 240.278 0.985 20 0 BCADLO O[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000884620750 591995230 /nfs/dbraw/zinc/99/52/30/591995230.db2.gz KQEYLOYBJQJFBE-OWUUHHOZSA-N 1 2 235.287 0.650 20 0 BCADLO Cc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc[nH+]1 ZINC000884624599 591996463 /nfs/dbraw/zinc/99/64/63/591996463.db2.gz MAXNLKAQLAPXLS-RTCCRHLQSA-N 1 2 237.303 0.861 20 0 BCADLO Cc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc[nH+]1 ZINC000884624598 591996560 /nfs/dbraw/zinc/99/65/60/591996560.db2.gz MAXNLKAQLAPXLS-JGPRNRPPSA-N 1 2 237.303 0.861 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)COC1CC1 ZINC000884658082 592005836 /nfs/dbraw/zinc/00/58/36/592005836.db2.gz WZZVJVZSEBGSDI-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CCc1nc(NCCN2CCNC2=O)cc[nH+]1 ZINC000884691242 592011664 /nfs/dbraw/zinc/01/16/64/592011664.db2.gz BBCAVHKCJVZOQB-UHFFFAOYSA-N 1 2 235.291 0.476 20 0 BCADLO CCc1cc(NCCN2CCNC2=O)nc[nH+]1 ZINC000884691678 592011822 /nfs/dbraw/zinc/01/18/22/592011822.db2.gz OPBCMVOCRMWRII-UHFFFAOYSA-N 1 2 235.291 0.476 20 0 BCADLO Cc1cc(N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)nc[nH+]1 ZINC000884863842 592025943 /nfs/dbraw/zinc/02/59/43/592025943.db2.gz MGWIZDRZLCBVLK-MNOVXSKESA-N 1 2 246.314 0.985 20 0 BCADLO CC[C@@]1(C)C[N@H+](CCS(=O)(=O)CC)CCO1 ZINC000135646636 592030726 /nfs/dbraw/zinc/03/07/26/592030726.db2.gz OFFCJTINBRRUES-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CCS(=O)(=O)CC)CCO1 ZINC000135646636 592030733 /nfs/dbraw/zinc/03/07/33/592030733.db2.gz OFFCJTINBRRUES-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)CCc1c[nH+]cn1C ZINC000885052050 592039942 /nfs/dbraw/zinc/03/99/42/592039942.db2.gz LOKRUUGNCAZXFQ-SNVBAGLBSA-N 1 2 249.314 0.933 20 0 BCADLO COCCOC(=O)NCCNc1cccc[nH+]1 ZINC000885054816 592040783 /nfs/dbraw/zinc/04/07/83/592040783.db2.gz NXIKMGGGWNEXEZ-UHFFFAOYSA-N 1 2 239.275 0.866 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000885056863 592041752 /nfs/dbraw/zinc/04/17/52/592041752.db2.gz VCICWKSZJPGZTR-QMMMGPOBSA-N 1 2 221.260 0.532 20 0 BCADLO COCCOC(=O)N(C)CCCn1cc[nH+]c1 ZINC000885063307 592043147 /nfs/dbraw/zinc/04/31/47/592043147.db2.gz FXNUWHRZDYKGFZ-UHFFFAOYSA-N 1 2 241.291 0.988 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000885072158 592045398 /nfs/dbraw/zinc/04/53/98/592045398.db2.gz SOJLTGZOGYMGLJ-MRVPVSSYSA-N 1 2 221.260 0.532 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(=O)CC[C@H]1C ZINC000885080062 592048272 /nfs/dbraw/zinc/04/82/72/592048272.db2.gz KDOBCIMUENPZJK-MRVPVSSYSA-N 1 2 235.287 0.841 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885082736 592048843 /nfs/dbraw/zinc/04/88/43/592048843.db2.gz HLGIPPNRIBAUFO-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885082736 592048845 /nfs/dbraw/zinc/04/88/45/592048845.db2.gz HLGIPPNRIBAUFO-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000135951771 592082154 /nfs/dbraw/zinc/08/21/54/592082154.db2.gz VZXVQCUTRUWZBY-SNVBAGLBSA-N 1 2 247.335 0.251 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000135951771 592082157 /nfs/dbraw/zinc/08/21/57/592082157.db2.gz VZXVQCUTRUWZBY-SNVBAGLBSA-N 1 2 247.335 0.251 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000135951806 592082704 /nfs/dbraw/zinc/08/27/04/592082704.db2.gz VZXVQCUTRUWZBY-JTQLQIEISA-N 1 2 247.335 0.251 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000135951806 592082706 /nfs/dbraw/zinc/08/27/06/592082706.db2.gz VZXVQCUTRUWZBY-JTQLQIEISA-N 1 2 247.335 0.251 20 0 BCADLO C[C@H]1CO[C@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000885574485 592084549 /nfs/dbraw/zinc/08/45/49/592084549.db2.gz JZLRUACNTYTRTQ-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCC3(CCC3)CO2)CCN1 ZINC000885933351 592110637 /nfs/dbraw/zinc/11/06/37/592110637.db2.gz RICDOUMXFURCAH-LLVKDONJSA-N 1 2 238.331 0.768 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CCN1 ZINC000885933351 592110639 /nfs/dbraw/zinc/11/06/39/592110639.db2.gz RICDOUMXFURCAH-LLVKDONJSA-N 1 2 238.331 0.768 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@](C)(O)C(F)F ZINC000885937602 592111187 /nfs/dbraw/zinc/11/11/87/592111187.db2.gz FHJUWEYDFDYOOR-MRVPVSSYSA-N 1 2 211.208 0.107 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@](C)(O)C(F)F ZINC000885937602 592111189 /nfs/dbraw/zinc/11/11/89/592111189.db2.gz FHJUWEYDFDYOOR-MRVPVSSYSA-N 1 2 211.208 0.107 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCN(C2CC2)C(=O)C1)C(F)F ZINC000886032735 592136901 /nfs/dbraw/zinc/13/69/01/592136901.db2.gz MTQDBYWHNRSVMW-LLVKDONJSA-N 1 2 248.273 0.309 20 0 BCADLO C[C@@](O)(C[N@H+]1CCN(C2CC2)C(=O)C1)C(F)F ZINC000886032735 592136903 /nfs/dbraw/zinc/13/69/03/592136903.db2.gz MTQDBYWHNRSVMW-LLVKDONJSA-N 1 2 248.273 0.309 20 0 BCADLO COC(C[NH+]1CCN(CC(F)F)CC1)OC ZINC000136751566 592150333 /nfs/dbraw/zinc/15/03/33/592150333.db2.gz OFNAJDGAPLKIEG-UHFFFAOYSA-N 1 2 238.278 0.488 20 0 BCADLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ncn(C)n1 ZINC000886158442 592165131 /nfs/dbraw/zinc/16/51/31/592165131.db2.gz ZGEJZCQBOGXVFZ-HZGVNTEJSA-N 1 2 234.250 0.482 20 0 BCADLO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ncn(C)n1 ZINC000886158443 592166020 /nfs/dbraw/zinc/16/60/20/592166020.db2.gz ZGEJZCQBOGXVFZ-IMTBSYHQSA-N 1 2 234.250 0.482 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2nc[nH]c2C1)C(F)F ZINC000886211431 592177531 /nfs/dbraw/zinc/17/75/31/592177531.db2.gz PCPDKMUDPUSVJX-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2nc[nH]c2C1)C(F)F ZINC000886211431 592177532 /nfs/dbraw/zinc/17/75/32/592177532.db2.gz PCPDKMUDPUSVJX-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886229484 592181177 /nfs/dbraw/zinc/18/11/77/592181177.db2.gz QFEJNRCHHDXDET-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886229484 592181179 /nfs/dbraw/zinc/18/11/79/592181179.db2.gz QFEJNRCHHDXDET-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886229484 592181181 /nfs/dbraw/zinc/18/11/81/592181181.db2.gz QFEJNRCHHDXDET-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886229484 592181183 /nfs/dbraw/zinc/18/11/83/592181183.db2.gz QFEJNRCHHDXDET-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000218829371 592182137 /nfs/dbraw/zinc/18/21/37/592182137.db2.gz OESSYMFENCMVAB-RKDXNWHRSA-N 1 2 214.309 0.922 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000218829371 592182139 /nfs/dbraw/zinc/18/21/39/592182139.db2.gz OESSYMFENCMVAB-RKDXNWHRSA-N 1 2 214.309 0.922 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886249152 592182950 /nfs/dbraw/zinc/18/29/50/592182950.db2.gz DNRVCVNLXRREDE-NRPADANISA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886249152 592182951 /nfs/dbraw/zinc/18/29/51/592182951.db2.gz DNRVCVNLXRREDE-NRPADANISA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886249153 592183190 /nfs/dbraw/zinc/18/31/90/592183190.db2.gz DNRVCVNLXRREDE-OYNCUSHFSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886249153 592183193 /nfs/dbraw/zinc/18/31/93/592183193.db2.gz DNRVCVNLXRREDE-OYNCUSHFSA-N 1 2 239.262 0.084 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@]12CCOC2 ZINC000886251610 592187215 /nfs/dbraw/zinc/18/72/15/592187215.db2.gz GWMMYLDQFRBUOR-KWQFWETISA-N 1 2 239.275 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@]12CCOC2 ZINC000886251610 592187217 /nfs/dbraw/zinc/18/72/17/592187217.db2.gz GWMMYLDQFRBUOR-KWQFWETISA-N 1 2 239.275 0.634 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@](C)(O)C(F)F)n1 ZINC000886272346 592191569 /nfs/dbraw/zinc/19/15/69/592191569.db2.gz NOCMYOVMOCLYRX-VIFPVBQESA-N 1 2 235.234 0.826 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@](C)(O)C(F)F)n1 ZINC000886272346 592191573 /nfs/dbraw/zinc/19/15/73/592191573.db2.gz NOCMYOVMOCLYRX-VIFPVBQESA-N 1 2 235.234 0.826 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCc1cncc(O)c1 ZINC000886276574 592196640 /nfs/dbraw/zinc/19/66/40/592196640.db2.gz MNQRNDVBDJIJCX-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886284160 592199950 /nfs/dbraw/zinc/19/99/50/592199950.db2.gz PAGOIZIHMRSBBF-CBAPKCEASA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886284160 592199951 /nfs/dbraw/zinc/19/99/51/592199951.db2.gz PAGOIZIHMRSBBF-CBAPKCEASA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886284161 592199983 /nfs/dbraw/zinc/19/99/83/592199983.db2.gz PAGOIZIHMRSBBF-IONNQARKSA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886284161 592199984 /nfs/dbraw/zinc/19/99/84/592199984.db2.gz PAGOIZIHMRSBBF-IONNQARKSA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@H]1C[N@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886284159 592200306 /nfs/dbraw/zinc/20/03/06/592200306.db2.gz PAGOIZIHMRSBBF-APPZFPTMSA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886284159 592200309 /nfs/dbraw/zinc/20/03/09/592200309.db2.gz PAGOIZIHMRSBBF-APPZFPTMSA-N 1 2 225.235 0.307 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CO[C@@H](C)C2)n1 ZINC000886325403 592208771 /nfs/dbraw/zinc/20/87/71/592208771.db2.gz DTTIWWPAUUSTQC-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CO[C@@H](C)C2)[nH]1 ZINC000886325403 592208773 /nfs/dbraw/zinc/20/87/73/592208773.db2.gz DTTIWWPAUUSTQC-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000886326605 592208810 /nfs/dbraw/zinc/20/88/10/592208810.db2.gz OICRRRGEUAHYGD-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CCO[C@H]2C)[nH]1 ZINC000886326605 592208812 /nfs/dbraw/zinc/20/88/12/592208812.db2.gz OICRRRGEUAHYGD-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)nn1C ZINC000886457533 592226727 /nfs/dbraw/zinc/22/67/27/592226727.db2.gz DKTQBMFLGIFPQZ-UHFFFAOYSA-N 1 2 246.318 0.726 20 0 BCADLO Cc1cc(C[N@H+]2CCCn3nncc3C2)nn1C ZINC000886457533 592226729 /nfs/dbraw/zinc/22/67/29/592226729.db2.gz DKTQBMFLGIFPQZ-UHFFFAOYSA-N 1 2 246.318 0.726 20 0 BCADLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)ncn1 ZINC000886464736 592229165 /nfs/dbraw/zinc/22/91/65/592229165.db2.gz FWGKWOAVJSZULO-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO Cc1cc(C[N@H+]2CCCn3nncc3C2)ncn1 ZINC000886464736 592229167 /nfs/dbraw/zinc/22/91/67/592229167.db2.gz FWGKWOAVJSZULO-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886506443 592238808 /nfs/dbraw/zinc/23/88/08/592238808.db2.gz SSCOYOUDPMXSJS-FTLITQJKSA-N 1 2 227.264 0.131 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886506443 592238811 /nfs/dbraw/zinc/23/88/11/592238811.db2.gz SSCOYOUDPMXSJS-FTLITQJKSA-N 1 2 227.264 0.131 20 0 BCADLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ncco1 ZINC000886528304 592245489 /nfs/dbraw/zinc/24/54/89/592245489.db2.gz KBFJWPMWFCWEEO-VIFPVBQESA-N 1 2 239.275 0.184 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000886592151 592270204 /nfs/dbraw/zinc/27/02/04/592270204.db2.gz MDPFIPYNLSOAAD-YUMQZZPRSA-N 1 2 237.246 0.545 20 0 BCADLO Cc1nc(C)c(C(=O)N2CC[NH+](C)CC2)o1 ZINC000074675498 592308849 /nfs/dbraw/zinc/30/88/49/592308849.db2.gz NDRAWAMIJCAZAA-UHFFFAOYSA-N 1 2 223.276 0.679 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342312 /nfs/dbraw/zinc/34/23/12/592342312.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 1 2 222.292 0.806 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342315 /nfs/dbraw/zinc/34/23/15/592342315.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342319 /nfs/dbraw/zinc/34/23/19/592342319.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342324 /nfs/dbraw/zinc/34/23/24/592342324.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 1 2 222.292 0.806 20 0 BCADLO CCOC(=O)C[NH2+][C@H](COC)[C@H]1CCCOC1 ZINC000886905702 592394341 /nfs/dbraw/zinc/39/43/41/592394341.db2.gz KFSRNVJOWCXNAY-WDEREUQCSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CC[C@@H](C)O ZINC000886941655 592398655 /nfs/dbraw/zinc/39/86/55/592398655.db2.gz IKHAVPMQEFCOPB-VWYCJHECSA-N 1 2 245.319 0.458 20 0 BCADLO COC[C@H](C)[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886941714 592399035 /nfs/dbraw/zinc/39/90/35/592399035.db2.gz JQBOPRBTAFHRIQ-GARJFASQSA-N 1 2 245.319 0.722 20 0 BCADLO COCCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886946325 592399919 /nfs/dbraw/zinc/39/99/19/592399919.db2.gz JNQGQWOHWKUGMN-QWRGUYRKSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](C)CO ZINC000886946291 592401014 /nfs/dbraw/zinc/40/10/14/592401014.db2.gz JHGBDMZEUMKETC-AXFHLTTASA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCO ZINC000886959191 592402013 /nfs/dbraw/zinc/40/20/13/592402013.db2.gz LRYZFDWICQZPCA-QWRGUYRKSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886974435 592403432 /nfs/dbraw/zinc/40/34/32/592403432.db2.gz ZRLLPAAUMBTQSD-UHFFFAOYSA-N 1 2 227.304 0.834 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1cnon1)C(N)=O ZINC000887055909 592432282 /nfs/dbraw/zinc/43/22/82/592432282.db2.gz QVVNCFZFSQFRAM-XPUUQOCRSA-N 1 2 212.253 0.059 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(N)=O)[C@@H](C)CC)o1 ZINC000887063161 592433377 /nfs/dbraw/zinc/43/33/77/592433377.db2.gz RXBLMSDOZIRFAX-XVKPBYJWSA-N 1 2 240.307 0.622 20 0 BCADLO COCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887071876 592433831 /nfs/dbraw/zinc/43/38/31/592433831.db2.gz DSGZMUKVJJGAHB-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887071876 592433835 /nfs/dbraw/zinc/43/38/35/592433835.db2.gz DSGZMUKVJJGAHB-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCCO ZINC000887071763 592434374 /nfs/dbraw/zinc/43/43/74/592434374.db2.gz AWMGTWRIBBBIGS-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCCO ZINC000887071763 592434377 /nfs/dbraw/zinc/43/43/77/592434377.db2.gz AWMGTWRIBBBIGS-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCSC ZINC000887072525 592434990 /nfs/dbraw/zinc/43/49/90/592434990.db2.gz RBCOCHIAUBHOPX-MRVPVSSYSA-N 1 2 235.374 0.940 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCSC ZINC000887072525 592434993 /nfs/dbraw/zinc/43/49/93/592434993.db2.gz RBCOCHIAUBHOPX-MRVPVSSYSA-N 1 2 235.374 0.940 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCC[C@H](C)O ZINC000887077748 592435073 /nfs/dbraw/zinc/43/50/73/592435073.db2.gz SWSDEWRSDLUERV-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCC[C@H](C)O ZINC000887077748 592435075 /nfs/dbraw/zinc/43/50/75/592435075.db2.gz SWSDEWRSDLUERV-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)CO ZINC000887075274 592435155 /nfs/dbraw/zinc/43/51/55/592435155.db2.gz AKKTYQMFVLTJNI-BDAKNGLRSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)CO ZINC000887075274 592435158 /nfs/dbraw/zinc/43/51/58/592435158.db2.gz AKKTYQMFVLTJNI-BDAKNGLRSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCC[C@H](C)O ZINC000887077749 592435731 /nfs/dbraw/zinc/43/57/31/592435731.db2.gz SWSDEWRSDLUERV-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCC[C@H](C)O ZINC000887077749 592435733 /nfs/dbraw/zinc/43/57/33/592435733.db2.gz SWSDEWRSDLUERV-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CC[C@@H](C)O ZINC000887077146 592436076 /nfs/dbraw/zinc/43/60/76/592436076.db2.gz FNNUGCYLAHSGJV-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CC[C@@H](C)O ZINC000887077146 592436079 /nfs/dbraw/zinc/43/60/79/592436079.db2.gz FNNUGCYLAHSGJV-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@H](NC(=O)C1=COCCO1)c1[nH]cc[nH+]1 ZINC000140558065 592474392 /nfs/dbraw/zinc/47/43/92/592474392.db2.gz BTWMTSBMMBHYLH-QMMMGPOBSA-N 1 2 237.259 0.865 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000887341128 592483123 /nfs/dbraw/zinc/48/31/23/592483123.db2.gz VUDPZMJVLBGAMS-PHIMTYICSA-N 1 2 234.303 0.935 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000887341137 592483225 /nfs/dbraw/zinc/48/32/25/592483225.db2.gz WCIDYGHJCGVMFR-GARJFASQSA-N 1 2 234.303 0.933 20 0 BCADLO CCn1cc(C[N@@H+]2CCOC[C@@H](C)C2)nn1 ZINC000887546138 592522230 /nfs/dbraw/zinc/52/22/30/592522230.db2.gz CMWICVKGDSPSRI-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO CCn1cc(C[N@H+]2CCOC[C@@H](C)C2)nn1 ZINC000887546138 592522231 /nfs/dbraw/zinc/52/22/31/592522231.db2.gz CMWICVKGDSPSRI-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO CCn1cc(C[N@H+](C)C2CC(O)C2)nn1 ZINC000887571119 592528130 /nfs/dbraw/zinc/52/81/30/592528130.db2.gz YIZZCVWUZJENGI-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1cc(C[N@@H+](C)C2CC(O)C2)nn1 ZINC000887571119 592528132 /nfs/dbraw/zinc/52/81/32/592528132.db2.gz YIZZCVWUZJENGI-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]1CO ZINC000889136781 592584099 /nfs/dbraw/zinc/58/40/99/592584099.db2.gz OMQUCFVVFAZXPM-VHSXEESVSA-N 1 2 235.287 0.039 20 0 BCADLO Cc1nnc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]1 ZINC000889700449 592647869 /nfs/dbraw/zinc/64/78/69/592647869.db2.gz ZBYCJURSCKZTQH-MRVPVSSYSA-N 1 2 248.290 0.577 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000889792669 592653666 /nfs/dbraw/zinc/65/36/66/592653666.db2.gz IVIMBSTXBNPVLW-VHSXEESVSA-N 1 2 247.298 0.652 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC2CC(CCO)C2)c1 ZINC000889990735 592668557 /nfs/dbraw/zinc/66/85/57/592668557.db2.gz DTUKMIKXKOIISI-NSCUHMNNSA-N 1 2 249.314 0.711 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cc(C=O)n(C)c2)c1 ZINC000890100263 592679302 /nfs/dbraw/zinc/67/93/02/592679302.db2.gz KPFNJSRRKLDSMF-UHFFFAOYSA-N 1 2 246.270 0.501 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103463 592680236 /nfs/dbraw/zinc/68/02/36/592680236.db2.gz LRISYFCRQZHQLI-WPRPVWTQSA-N 1 2 225.292 0.443 20 0 BCADLO CCO[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890103469 592680629 /nfs/dbraw/zinc/68/06/29/592680629.db2.gz LTECFTBCSKFNOH-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890100589 592680667 /nfs/dbraw/zinc/68/06/67/592680667.db2.gz YYFKVHCQOOWVBN-WCBMZHEXSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnn3c2CCC3)c1 ZINC000890104747 592681541 /nfs/dbraw/zinc/68/15/41/592681541.db2.gz PTJCWXVXKMCWCU-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000890106755 592681660 /nfs/dbraw/zinc/68/16/60/592681660.db2.gz DATGZMZHDHYDBW-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1nc[nH]c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104691 592681748 /nfs/dbraw/zinc/68/17/48/592681748.db2.gz OZSSPAJGDCPKLE-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO COc1cnc(C(=O)NCc2cn(C)c[nH+]2)nc1 ZINC000890107090 592682080 /nfs/dbraw/zinc/68/20/80/592682080.db2.gz HXLUBEFCXUAQLF-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO Cc1c[nH]cc(C(=O)NCc2cn(C)c[nH+]2)c1=O ZINC000890109153 592682427 /nfs/dbraw/zinc/68/24/27/592682427.db2.gz DTBUGIFVITVGKJ-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108312 592682450 /nfs/dbraw/zinc/68/24/50/592682450.db2.gz XHYMGFIFGCBALG-SNVBAGLBSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1noc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890108421 592682564 /nfs/dbraw/zinc/68/25/64/592682564.db2.gz ZGLQDEIPFYSDMS-UHFFFAOYSA-N 1 2 221.220 0.042 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109313 592683173 /nfs/dbraw/zinc/68/31/73/592683173.db2.gz KCVCFTFCILZWGU-WCBMZHEXSA-N 1 2 223.276 0.461 20 0 BCADLO COCCCOCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109338 592683420 /nfs/dbraw/zinc/68/34/20/592683420.db2.gz LBABJRJAQUGSEV-UHFFFAOYSA-N 1 2 241.291 0.089 20 0 BCADLO CO[C@H](C(=O)NCc1cn(C)c[nH+]1)C(C)C ZINC000890107648 592683435 /nfs/dbraw/zinc/68/34/35/592683435.db2.gz OKSVPLAZGLPETC-JTQLQIEISA-N 1 2 225.292 0.707 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890110982 592684182 /nfs/dbraw/zinc/68/41/82/592684182.db2.gz YASCIZHCWLKZNL-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)ncn1 ZINC000890109794 592684384 /nfs/dbraw/zinc/68/43/84/592684384.db2.gz SUTGSVQNZQVXQS-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890110780 592684593 /nfs/dbraw/zinc/68/45/93/592684593.db2.gz UTYZEQPSUQENOU-WDEREUQCSA-N 1 2 237.303 0.994 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109802 592684635 /nfs/dbraw/zinc/68/46/35/592684635.db2.gz GPUYBFJEIALLQR-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890110779 592684646 /nfs/dbraw/zinc/68/46/46/592684646.db2.gz UTYZEQPSUQENOU-QWRGUYRKSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1cnc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890110042 592684817 /nfs/dbraw/zinc/68/48/17/592684817.db2.gz JHMMSIOKNAERMC-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CS/C=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890110988 592684846 /nfs/dbraw/zinc/68/48/46/592684846.db2.gz YFXOIXVRBJWMHU-ONEGZZNKSA-N 1 2 211.290 0.913 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnn(C)c2)c1 ZINC000890117031 592685466 /nfs/dbraw/zinc/68/54/66/592685466.db2.gz FKBROJQEXIGCES-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)n1cccn1 ZINC000890114729 592685744 /nfs/dbraw/zinc/68/57/44/592685744.db2.gz WRPCMCHQGIVUMQ-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO CC[C@](C)(O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890119234 592685757 /nfs/dbraw/zinc/68/57/57/592685757.db2.gz CYGSKTHUQVBIFK-JTQLQIEISA-N 1 2 211.265 0.197 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890114555 592685834 /nfs/dbraw/zinc/68/58/34/592685834.db2.gz PLCPXGXCCQJIOA-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CC(C)OCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117650 592685938 /nfs/dbraw/zinc/68/59/38/592685938.db2.gz WHGSZDINYUJTRK-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1c(C(=O)NCc2cn(C)c[nH+]2)cnn1C ZINC000890116955 592685951 /nfs/dbraw/zinc/68/59/51/592685951.db2.gz DNUFLYGNJGSLEV-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C(C)(C)O ZINC000890463686 592701170 /nfs/dbraw/zinc/70/11/70/592701170.db2.gz XTUDKLVRHXGTLE-QMMMGPOBSA-N 1 2 225.292 0.536 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[NH+]1CCCCC1 ZINC000049474521 598214997 /nfs/dbraw/zinc/21/49/97/598214997.db2.gz XTOGFWAKJPBPIW-JTQLQIEISA-N 1 2 214.309 0.925 20 0 BCADLO O=C([O-])c1coc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000740268240 599848882 /nfs/dbraw/zinc/84/88/82/599848882.db2.gz FYXNVIUAMXOBQJ-UWVGGRQHSA-N 1 2 236.271 0.629 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000309523802 599920558 /nfs/dbraw/zinc/92/05/58/599920558.db2.gz AVSUWAQZCAZKHF-UWVGGRQHSA-N 1 2 223.276 0.993 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000309523802 599920561 /nfs/dbraw/zinc/92/05/61/599920561.db2.gz AVSUWAQZCAZKHF-UWVGGRQHSA-N 1 2 223.276 0.993 20 0 BCADLO O=C([O-])C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738609437 600471592 /nfs/dbraw/zinc/47/15/92/600471592.db2.gz DONOLSRDVKTQFG-SNVBAGLBSA-N 1 2 235.287 0.900 20 0 BCADLO O=C([O-])C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738609437 600471595 /nfs/dbraw/zinc/47/15/95/600471595.db2.gz DONOLSRDVKTQFG-SNVBAGLBSA-N 1 2 235.287 0.900 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000739727411 602052549 /nfs/dbraw/zinc/05/25/49/602052549.db2.gz OPXRZYKLCIYNTM-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000739727411 602052552 /nfs/dbraw/zinc/05/25/52/602052552.db2.gz OPXRZYKLCIYNTM-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000054067804 604378870 /nfs/dbraw/zinc/37/88/70/604378870.db2.gz PNDSZORBNVLCTC-SECBINFHSA-N 1 2 211.265 0.678 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000054067804 604378876 /nfs/dbraw/zinc/37/88/76/604378876.db2.gz PNDSZORBNVLCTC-SECBINFHSA-N 1 2 211.265 0.678 20 0 BCADLO O=C([O-])[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000049328763 605275452 /nfs/dbraw/zinc/27/54/52/605275452.db2.gz ISBHIELGQCMDSD-JTQLQIEISA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000049328763 605275450 /nfs/dbraw/zinc/27/54/50/605275450.db2.gz ISBHIELGQCMDSD-JTQLQIEISA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])N[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000834176226 605979887 /nfs/dbraw/zinc/97/98/87/605979887.db2.gz RKNISWINHXBXMM-ZJUUUORDSA-N 1 2 238.291 0.661 20 0 BCADLO CNc1cc(NCc2ccn(C)n2)nc[nH+]1 ZINC000124873774 634434774 /nfs/dbraw/zinc/43/47/74/634434774.db2.gz AVSXKZHHTJBFQC-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO CNc1cc(NCc2ccn(C)n2)[nH+]cn1 ZINC000124873774 634434778 /nfs/dbraw/zinc/43/47/78/634434778.db2.gz AVSXKZHHTJBFQC-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO Cc1nc(CC[NH2+]Cc2nnc(C)s2)n[nH]1 ZINC000893460240 634512222 /nfs/dbraw/zinc/51/22/22/634512222.db2.gz FZCNHZFVRSHVJV-UHFFFAOYSA-N 1 2 238.320 0.605 20 0 BCADLO CC1CC(=O)N(Cc2ccc(N)[nH+]c2)C(=O)C1 ZINC000093356841 634521315 /nfs/dbraw/zinc/52/13/15/634521315.db2.gz UNRFOJLWYXDZIR-UHFFFAOYSA-N 1 2 233.271 0.949 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000314643917 635221909 /nfs/dbraw/zinc/22/19/09/635221909.db2.gz GOMWBANVVJXOAA-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO COC(=O)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000909391092 634598706 /nfs/dbraw/zinc/59/87/06/634598706.db2.gz PIOIIFGWTOYBGC-UHFFFAOYSA-N 1 2 236.271 0.878 20 0 BCADLO COc1cccnc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000909395372 634609028 /nfs/dbraw/zinc/60/90/28/634609028.db2.gz IIJCWBPPOMBAJA-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cc(NC)[nH+]cn1 ZINC000234389562 635554620 /nfs/dbraw/zinc/55/46/20/635554620.db2.gz DSRMHCMISOVWSC-MRVPVSSYSA-N 1 2 237.307 0.337 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cc(NC)nc[nH+]1 ZINC000234389562 635554622 /nfs/dbraw/zinc/55/46/22/635554622.db2.gz DSRMHCMISOVWSC-MRVPVSSYSA-N 1 2 237.307 0.337 20 0 BCADLO Cc1cnnc(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000235126143 635567216 /nfs/dbraw/zinc/56/72/16/635567216.db2.gz RLXDFRSALGRFOF-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@H]2CNOC2)nn1C ZINC000925867016 635571818 /nfs/dbraw/zinc/57/18/18/635571818.db2.gz PANPHWZZVNKXID-BDAKNGLRSA-N 1 2 210.281 0.283 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCc1ccccn1 ZINC000933327460 631259033 /nfs/dbraw/zinc/25/90/33/631259033.db2.gz PCDMCCQPALKGNX-ZDUSSCGKSA-N 1 2 236.315 0.971 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCc1ccccn1 ZINC000933327460 631259037 /nfs/dbraw/zinc/25/90/37/631259037.db2.gz PCDMCCQPALKGNX-ZDUSSCGKSA-N 1 2 236.315 0.971 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000933326711 631259408 /nfs/dbraw/zinc/25/94/08/631259408.db2.gz FZJXPTBJSXRWPQ-VXGBXAGGSA-N 1 2 245.319 0.139 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000933326711 631259414 /nfs/dbraw/zinc/25/94/14/631259414.db2.gz FZJXPTBJSXRWPQ-VXGBXAGGSA-N 1 2 245.319 0.139 20 0 BCADLO O=C1C[N@@H+](CCCCO)[C@H](c2ccccc2)CN1 ZINC000933326869 631259646 /nfs/dbraw/zinc/25/96/46/631259646.db2.gz MGCAUARJPLTRIN-ZDUSSCGKSA-N 1 2 248.326 0.932 20 0 BCADLO O=C1C[N@H+](CCCCO)[C@H](c2ccccc2)CN1 ZINC000933326869 631259651 /nfs/dbraw/zinc/25/96/51/631259651.db2.gz MGCAUARJPLTRIN-ZDUSSCGKSA-N 1 2 248.326 0.932 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@H]1COC ZINC000933336091 631276454 /nfs/dbraw/zinc/27/64/54/631276454.db2.gz QNMNMTHAGUARBI-SNVBAGLBSA-N 1 2 215.293 0.703 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@H]1COC ZINC000933336091 631276458 /nfs/dbraw/zinc/27/64/58/631276458.db2.gz QNMNMTHAGUARBI-SNVBAGLBSA-N 1 2 215.293 0.703 20 0 BCADLO C[C@@H](CNc1cnccn1)[NH+]1CCOCC1 ZINC000298462636 631319072 /nfs/dbraw/zinc/31/90/72/631319072.db2.gz YRELJSKYJALWLH-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO Cc1[nH+]ccn1CCN1CC(O)(C(C)C)C1 ZINC000084376938 631441023 /nfs/dbraw/zinc/44/10/23/631441023.db2.gz GQQNOKFBWHGRTR-UHFFFAOYSA-N 1 2 223.320 0.894 20 0 BCADLO Cc1nccn1CC[NH+]1CC(O)(C(C)C)C1 ZINC000084376938 631441028 /nfs/dbraw/zinc/44/10/28/631441028.db2.gz GQQNOKFBWHGRTR-UHFFFAOYSA-N 1 2 223.320 0.894 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCOC1=O)C(C)C ZINC000308626591 631444314 /nfs/dbraw/zinc/44/43/14/631444314.db2.gz WWISQPQVMQGYDZ-DTWKUNHWSA-N 1 2 201.266 0.563 20 0 BCADLO CCN(CC(=O)NC)c1cc(NC)[nH+]cn1 ZINC000087821985 631483809 /nfs/dbraw/zinc/48/38/09/631483809.db2.gz WKHVYTZMRSBRBQ-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CCN(CC(=O)NC)c1cc(NC)nc[nH+]1 ZINC000087821985 631483816 /nfs/dbraw/zinc/48/38/16/631483816.db2.gz WKHVYTZMRSBRBQ-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO c1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)n[nH]1 ZINC000933903155 631548396 /nfs/dbraw/zinc/54/83/96/631548396.db2.gz QSHXORUHGKDZIA-JTQLQIEISA-N 1 2 223.276 0.747 20 0 BCADLO c1cc(C[N@H+]2CCC[C@H]2C2OCCO2)n[nH]1 ZINC000933903155 631548403 /nfs/dbraw/zinc/54/84/03/631548403.db2.gz QSHXORUHGKDZIA-JTQLQIEISA-N 1 2 223.276 0.747 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NC1CCCCCC1 ZINC000934026460 631603623 /nfs/dbraw/zinc/60/36/23/631603623.db2.gz NBNVKRFRWUJBCQ-LBPRGKRZSA-N 1 2 240.347 0.892 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NC1CCCCCC1 ZINC000934026460 631603629 /nfs/dbraw/zinc/60/36/29/631603629.db2.gz NBNVKRFRWUJBCQ-LBPRGKRZSA-N 1 2 240.347 0.892 20 0 BCADLO COc1ccnc(C[N@@H+]2CC[C@@H]2CO)c1OC ZINC000934015262 631608120 /nfs/dbraw/zinc/60/81/20/631608120.db2.gz UUTPCKFPNZLXFF-SECBINFHSA-N 1 2 238.287 0.665 20 0 BCADLO COc1ccnc(C[N@H+]2CC[C@@H]2CO)c1OC ZINC000934015262 631608125 /nfs/dbraw/zinc/60/81/25/631608125.db2.gz UUTPCKFPNZLXFF-SECBINFHSA-N 1 2 238.287 0.665 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@@H]1CO ZINC000934019566 631615909 /nfs/dbraw/zinc/61/59/09/631615909.db2.gz QGNUMBTVZLPWLG-JGVFFNPUSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@@H]1CO ZINC000934019566 631615921 /nfs/dbraw/zinc/61/59/21/631615921.db2.gz QGNUMBTVZLPWLG-JGVFFNPUSA-N 1 2 208.265 0.186 20 0 BCADLO COc1cc(C)nc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934018388 631617940 /nfs/dbraw/zinc/61/79/40/631617940.db2.gz VZSWDBJFBPTWJZ-NSHDSACASA-N 1 2 222.288 0.965 20 0 BCADLO COc1cc(C)nc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934018388 631617945 /nfs/dbraw/zinc/61/79/45/631617945.db2.gz VZSWDBJFBPTWJZ-NSHDSACASA-N 1 2 222.288 0.965 20 0 BCADLO Nc1nc(C[N@@H+]2CC[C@H]2CO)nc2ccccc12 ZINC000934022527 631621566 /nfs/dbraw/zinc/62/15/66/631621566.db2.gz MXNHNLTWJKHZHS-VIFPVBQESA-N 1 2 244.298 0.779 20 0 BCADLO Nc1nc(C[N@H+]2CC[C@H]2CO)nc2ccccc12 ZINC000934022527 631621573 /nfs/dbraw/zinc/62/15/73/631621573.db2.gz MXNHNLTWJKHZHS-VIFPVBQESA-N 1 2 244.298 0.779 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000934034299 631634775 /nfs/dbraw/zinc/63/47/75/631634775.db2.gz BCNMIBLAYXQJJB-RKDXNWHRSA-N 1 2 226.280 0.007 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000234568586 631640716 /nfs/dbraw/zinc/64/07/16/631640716.db2.gz XVRRBUXQSSZMGM-VHSXEESVSA-N 1 2 213.277 0.299 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000176286110 631669825 /nfs/dbraw/zinc/66/98/25/631669825.db2.gz XIJQTDMXDVNTEN-JVOXIWMLSA-N 1 2 239.363 0.705 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nonc1C ZINC000934112990 631687672 /nfs/dbraw/zinc/68/76/72/631687672.db2.gz XXSSQRHFCZFKGN-NXEZZACHSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nonc1C ZINC000934112990 631687675 /nfs/dbraw/zinc/68/76/75/631687675.db2.gz XXSSQRHFCZFKGN-NXEZZACHSA-N 1 2 211.265 0.987 20 0 BCADLO CCN1OC[C@H]([N@H+](C)[C@@H]2CC[C@@H]2OC)C1=O ZINC000934114362 631690945 /nfs/dbraw/zinc/69/09/45/631690945.db2.gz SYUIYEBDSTVBKI-UTLUCORTSA-N 1 2 228.292 0.258 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)[C@@H]2CC[C@@H]2OC)C1=O ZINC000934114362 631690951 /nfs/dbraw/zinc/69/09/51/631690951.db2.gz SYUIYEBDSTVBKI-UTLUCORTSA-N 1 2 228.292 0.258 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nccc(N)n1 ZINC000934114842 631692389 /nfs/dbraw/zinc/69/23/89/631692389.db2.gz WNDONBPVQSTJHE-IUCAKERBSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nccc(N)n1 ZINC000934114842 631692392 /nfs/dbraw/zinc/69/23/92/631692392.db2.gz WNDONBPVQSTJHE-IUCAKERBSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nnc(C)o1 ZINC000934114633 631692445 /nfs/dbraw/zinc/69/24/45/631692445.db2.gz UZBRRGZWHYYLEN-RKDXNWHRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C)o1 ZINC000934114633 631692448 /nfs/dbraw/zinc/69/24/48/631692448.db2.gz UZBRRGZWHYYLEN-RKDXNWHRSA-N 1 2 211.265 0.987 20 0 BCADLO COCCCOCC[N@H+](C)[C@H]1CCOC1=O ZINC000091103163 631693581 /nfs/dbraw/zinc/69/35/81/631693581.db2.gz JDDRVRIADYHHTO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COCCCOCC[N@@H+](C)[C@H]1CCOC1=O ZINC000091103163 631693585 /nfs/dbraw/zinc/69/35/85/631693585.db2.gz JDDRVRIADYHHTO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CCS(C)(=O)=O ZINC000934125334 631703767 /nfs/dbraw/zinc/70/37/67/631703767.db2.gz KFUKZEUAWOPPRT-DTWKUNHWSA-N 1 2 221.322 0.140 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCS(C)(=O)=O ZINC000934125334 631703770 /nfs/dbraw/zinc/70/37/70/631703770.db2.gz KFUKZEUAWOPPRT-DTWKUNHWSA-N 1 2 221.322 0.140 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)CCS(C)(=O)=O ZINC000934125341 631704092 /nfs/dbraw/zinc/70/40/92/631704092.db2.gz KFUKZEUAWOPPRT-RKDXNWHRSA-N 1 2 221.322 0.140 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)CCS(C)(=O)=O ZINC000934125341 631704101 /nfs/dbraw/zinc/70/41/01/631704101.db2.gz KFUKZEUAWOPPRT-RKDXNWHRSA-N 1 2 221.322 0.140 20 0 BCADLO C[C@H]1CSCCC[N@@H+]1Cc1nnnn1C ZINC000934302220 631766568 /nfs/dbraw/zinc/76/65/68/631766568.db2.gz YUKIOXRTYZKBEY-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CSCCC[N@H+]1Cc1nnnn1C ZINC000934302220 631766573 /nfs/dbraw/zinc/76/65/73/631766573.db2.gz YUKIOXRTYZKBEY-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CSCCC[N@@H+]1Cc1nnnn1C ZINC000934302219 631767708 /nfs/dbraw/zinc/76/77/08/631767708.db2.gz YUKIOXRTYZKBEY-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CSCCC[N@H+]1Cc1nnnn1C ZINC000934302219 631767713 /nfs/dbraw/zinc/76/77/13/631767713.db2.gz YUKIOXRTYZKBEY-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO Cc1cnnc(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892246032 631812470 /nfs/dbraw/zinc/81/24/70/631812470.db2.gz GUYGZQADPIUUBW-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnnc(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000892246032 631812472 /nfs/dbraw/zinc/81/24/72/631812472.db2.gz GUYGZQADPIUUBW-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](CCCO)C1CC1 ZINC000309056706 631833567 /nfs/dbraw/zinc/83/35/67/631833567.db2.gz ZLIMSOURZKBBDE-UHFFFAOYSA-N 1 2 249.376 0.658 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](CCCO)C1CC1 ZINC000309056706 631833573 /nfs/dbraw/zinc/83/35/73/631833573.db2.gz ZLIMSOURZKBBDE-UHFFFAOYSA-N 1 2 249.376 0.658 20 0 BCADLO Cc1nonc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309089500 631874991 /nfs/dbraw/zinc/87/49/91/631874991.db2.gz ANMYXUMDNUTGBX-XCBNKYQSSA-N 1 2 210.281 0.418 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CC[C@H](O)[C@H](F)C2)C1=O ZINC000934566112 631931066 /nfs/dbraw/zinc/93/10/66/631931066.db2.gz DSWSVPFPKSWICW-UTLUCORTSA-N 1 2 230.283 0.012 20 0 BCADLO CN1CCC[C@H]([N@H+]2CC[C@H](O)[C@H](F)C2)C1=O ZINC000934566112 631931069 /nfs/dbraw/zinc/93/10/69/631931069.db2.gz DSWSVPFPKSWICW-UTLUCORTSA-N 1 2 230.283 0.012 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934569187 631940209 /nfs/dbraw/zinc/94/02/09/631940209.db2.gz XNIKGGDQBBPBTG-ZJUUUORDSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934569187 631940218 /nfs/dbraw/zinc/94/02/18/631940218.db2.gz XNIKGGDQBBPBTG-ZJUUUORDSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934569184 631940880 /nfs/dbraw/zinc/94/08/80/631940880.db2.gz XNIKGGDQBBPBTG-VHSXEESVSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934569184 631940881 /nfs/dbraw/zinc/94/08/81/631940881.db2.gz XNIKGGDQBBPBTG-VHSXEESVSA-N 1 2 233.283 0.733 20 0 BCADLO Nc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccn1 ZINC000934574525 631948099 /nfs/dbraw/zinc/94/80/99/631948099.db2.gz UBKMRIOCFQGJGT-VHSXEESVSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccn1 ZINC000934574525 631948103 /nfs/dbraw/zinc/94/81/03/631948103.db2.gz UBKMRIOCFQGJGT-VHSXEESVSA-N 1 2 225.267 0.569 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934579064 631949405 /nfs/dbraw/zinc/94/94/05/631949405.db2.gz GRIQDVCPYSHDJX-NEPJUHHUSA-N 1 2 241.310 0.942 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934579064 631949408 /nfs/dbraw/zinc/94/94/08/631949408.db2.gz GRIQDVCPYSHDJX-NEPJUHHUSA-N 1 2 241.310 0.942 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1cc(F)ccc1F ZINC000051827645 631952855 /nfs/dbraw/zinc/95/28/55/631952855.db2.gz PZSCFDAGFIBLIH-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1cc(F)ccc1F ZINC000051827645 631952859 /nfs/dbraw/zinc/95/28/59/631952859.db2.gz PZSCFDAGFIBLIH-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO Cn1cc(C[NH2+]CC2(C)OCCCO2)nn1 ZINC000309516774 632435670 /nfs/dbraw/zinc/43/56/70/632435670.db2.gz RUNYBVBSJZYURK-UHFFFAOYSA-N 1 2 226.280 0.058 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000131116366 632453246 /nfs/dbraw/zinc/45/32/46/632453246.db2.gz RNTKIBDVBHJRGR-BREXMAIKSA-N 1 2 240.303 0.446 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000131116366 632453250 /nfs/dbraw/zinc/45/32/50/632453250.db2.gz RNTKIBDVBHJRGR-BREXMAIKSA-N 1 2 240.303 0.446 20 0 BCADLO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000309574561 632538683 /nfs/dbraw/zinc/53/86/83/632538683.db2.gz ONTPVDMGTZGUQV-UTINFBMNSA-N 1 2 227.304 0.951 20 0 BCADLO C[C@@]1(NCCn2cc[nH+]c2)CCOC1=O ZINC000309154862 632650379 /nfs/dbraw/zinc/65/03/79/632650379.db2.gz XECATAQQYNMTSG-SNVBAGLBSA-N 1 2 209.249 0.178 20 0 BCADLO CCOCC[N@H+](C)CCS(=O)(=O)C(C)C ZINC000179311143 632687324 /nfs/dbraw/zinc/68/73/24/632687324.db2.gz CLIMQZBHVNJQKL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CCOCC[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000179311143 632687328 /nfs/dbraw/zinc/68/73/28/632687328.db2.gz CLIMQZBHVNJQKL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO COCC[NH+](CCOC)CN1CCCC1=O ZINC000177131952 632763520 /nfs/dbraw/zinc/76/35/20/632763520.db2.gz JQUUMCATZDFEMJ-UHFFFAOYSA-N 1 2 230.308 0.161 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCNC2=O)n1 ZINC000926671700 632801359 /nfs/dbraw/zinc/80/13/59/632801359.db2.gz JZKRHCWIRMREGZ-APPZFPTMSA-N 1 2 237.307 0.146 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1[nH]ncc1C ZINC000289685021 632802821 /nfs/dbraw/zinc/80/28/21/632802821.db2.gz AZEHHUMMWNIKBL-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1n[nH]cc1C ZINC000289685021 632802826 /nfs/dbraw/zinc/80/28/26/632802826.db2.gz AZEHHUMMWNIKBL-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cn[nH]n1 ZINC000935595246 632847116 /nfs/dbraw/zinc/84/71/16/632847116.db2.gz CCTNMNPAXKBWAV-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cn[nH]n1 ZINC000935595246 632847112 /nfs/dbraw/zinc/84/71/12/632847112.db2.gz CCTNMNPAXKBWAV-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1c[nH]nn1 ZINC000935595246 632847118 /nfs/dbraw/zinc/84/71/18/632847118.db2.gz CCTNMNPAXKBWAV-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1c[nH]nn1 ZINC000935595246 632847119 /nfs/dbraw/zinc/84/71/19/632847119.db2.gz CCTNMNPAXKBWAV-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO COC[C@@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000850200568 632852007 /nfs/dbraw/zinc/85/20/07/632852007.db2.gz CJVBVWLDDIFOLH-SNVBAGLBSA-N 1 2 242.275 0.478 20 0 BCADLO COC(=O)c1cnc(C[NH2+]C2(CO)CC2)s1 ZINC000894416101 635896646 /nfs/dbraw/zinc/89/66/46/635896646.db2.gz WGIYPTMRQFLCDB-UHFFFAOYSA-N 1 2 242.300 0.544 20 0 BCADLO COC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909406984 635898794 /nfs/dbraw/zinc/89/87/94/635898794.db2.gz WPKQZNGHOPKZDZ-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO COC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171297488 633188660 /nfs/dbraw/zinc/18/86/60/633188660.db2.gz HOHINWBMJPUBTC-UHFFFAOYSA-N 1 2 229.276 0.244 20 0 BCADLO Cc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000892776658 633224090 /nfs/dbraw/zinc/22/40/90/633224090.db2.gz IFNNHTVARUIOPS-PHIMTYICSA-N 1 2 249.314 0.594 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000307063475 635981848 /nfs/dbraw/zinc/98/18/48/635981848.db2.gz OPGGQMXWOJBJNN-APPZFPTMSA-N 1 2 227.695 0.943 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000307063475 635981853 /nfs/dbraw/zinc/98/18/53/635981853.db2.gz OPGGQMXWOJBJNN-APPZFPTMSA-N 1 2 227.695 0.943 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000909421097 636025599 /nfs/dbraw/zinc/02/55/99/636025599.db2.gz LPRDUQLIALLGCO-MNOVXSKESA-N 1 2 249.314 0.723 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552914 636087583 /nfs/dbraw/zinc/08/75/83/636087583.db2.gz ADBGVHGKNQPNAA-NTSWFWBYSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552914 636087587 /nfs/dbraw/zinc/08/75/87/636087587.db2.gz ADBGVHGKNQPNAA-NTSWFWBYSA-N 1 2 228.189 0.707 20 0 BCADLO Cc1cnc(C(=O)NC[C@@H]2CC[N@H+]2C)c(O)c1 ZINC000928556547 636094689 /nfs/dbraw/zinc/09/46/89/636094689.db2.gz ATGKMALPPNYKLN-VIFPVBQESA-N 1 2 235.287 0.530 20 0 BCADLO Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C)c(O)c1 ZINC000928556547 636094692 /nfs/dbraw/zinc/09/46/92/636094692.db2.gz ATGKMALPPNYKLN-VIFPVBQESA-N 1 2 235.287 0.530 20 0 BCADLO Cn1cccc1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557699 636098738 /nfs/dbraw/zinc/09/87/38/636098738.db2.gz VUDZILDAIOGIPK-VIFPVBQESA-N 1 2 235.287 0.028 20 0 BCADLO Cn1cccc1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557699 636098739 /nfs/dbraw/zinc/09/87/39/636098739.db2.gz VUDZILDAIOGIPK-VIFPVBQESA-N 1 2 235.287 0.028 20 0 BCADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000309774099 633728888 /nfs/dbraw/zinc/72/88/88/633728888.db2.gz LFAPYVZCTPIHHZ-SSDOTTSWSA-N 1 2 220.280 0.697 20 0 BCADLO C=CC[NH+]1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC000020342261 633811273 /nfs/dbraw/zinc/81/12/73/633811273.db2.gz RUCIENSTYSACNS-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000309288166 633883315 /nfs/dbraw/zinc/88/33/15/633883315.db2.gz VEXZAFORJBWUBA-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000309288166 633883320 /nfs/dbraw/zinc/88/33/20/633883320.db2.gz VEXZAFORJBWUBA-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO CNc1cc(N(C)CC2(O)CCC2)nc[nH+]1 ZINC000893173002 633896663 /nfs/dbraw/zinc/89/66/63/633896663.db2.gz JFFWBMWYMXFGDW-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N(C)CC2(O)CCC2)[nH+]cn1 ZINC000893173002 633896665 /nfs/dbraw/zinc/89/66/65/633896665.db2.gz JFFWBMWYMXFGDW-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC1OCCO1 ZINC000182311146 633942247 /nfs/dbraw/zinc/94/22/47/633942247.db2.gz KOQSFACNIIKYJU-VIFPVBQESA-N 1 2 201.266 0.470 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC1OCCO1 ZINC000182311146 633942252 /nfs/dbraw/zinc/94/22/52/633942252.db2.gz KOQSFACNIIKYJU-VIFPVBQESA-N 1 2 201.266 0.470 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](CO)C1CC1 ZINC000309951216 633974227 /nfs/dbraw/zinc/97/42/27/633974227.db2.gz GFLKMVZUVHNWBZ-MNOVXSKESA-N 1 2 229.320 0.935 20 0 BCADLO CON(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895444877 636145486 /nfs/dbraw/zinc/14/54/86/636145486.db2.gz DORHWZAFZKFANF-UHFFFAOYSA-N 1 2 211.265 0.946 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2CCCCNC2=O)s1 ZINC000309889361 634034985 /nfs/dbraw/zinc/03/49/85/634034985.db2.gz ZSXASWVQYMFRMM-MRVPVSSYSA-N 1 2 240.332 0.605 20 0 BCADLO Cc1nnc(CNCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000895637209 636169488 /nfs/dbraw/zinc/16/94/88/636169488.db2.gz SPMYMRUWHTUNOC-SECBINFHSA-N 1 2 242.348 0.003 20 0 BCADLO Cc1nnc(CNCC[N@H+]2CC[C@@H](O)C2)s1 ZINC000895637209 636169494 /nfs/dbraw/zinc/16/94/94/636169494.db2.gz SPMYMRUWHTUNOC-SECBINFHSA-N 1 2 242.348 0.003 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930737331 634075276 /nfs/dbraw/zinc/07/52/76/634075276.db2.gz HGQSYGVXGPGILY-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930737331 634075285 /nfs/dbraw/zinc/07/52/85/634075285.db2.gz HGQSYGVXGPGILY-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC000930747654 634083887 /nfs/dbraw/zinc/08/38/87/634083887.db2.gz MFRWCHSIBPSNAF-KOLCDFICSA-N 1 2 234.303 0.748 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC000930747654 634083892 /nfs/dbraw/zinc/08/38/92/634083892.db2.gz MFRWCHSIBPSNAF-KOLCDFICSA-N 1 2 234.303 0.748 20 0 BCADLO Cc1cn(C)nc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000930809390 634109415 /nfs/dbraw/zinc/10/94/15/634109415.db2.gz JQRARBMPXDLFQV-UHFFFAOYSA-N 1 2 222.292 0.036 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cc(=O)cc[nH]1 ZINC000924134226 634150904 /nfs/dbraw/zinc/15/09/04/634150904.db2.gz QIVLGLSGJNCQEV-UHFFFAOYSA-N 1 2 247.254 0.819 20 0 BCADLO CO[C@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000189073783 634163633 /nfs/dbraw/zinc/16/36/33/634163633.db2.gz YAEACIOYFUYYFE-VIFPVBQESA-N 1 2 230.333 0.240 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncs2)C[C@@]1(C)CO ZINC000931065196 634209592 /nfs/dbraw/zinc/20/95/92/634209592.db2.gz FXCFNDVRIPRSNH-SCZZXKLOSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncs2)C[C@@]1(C)CO ZINC000931065196 634209599 /nfs/dbraw/zinc/20/95/99/634209599.db2.gz FXCFNDVRIPRSNH-SCZZXKLOSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncs2)C[C@]1(C)CO ZINC000931065195 634209995 /nfs/dbraw/zinc/20/99/95/634209995.db2.gz FXCFNDVRIPRSNH-PSASIEDQSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncs2)C[C@]1(C)CO ZINC000931065195 634210000 /nfs/dbraw/zinc/21/00/00/634210000.db2.gz FXCFNDVRIPRSNH-PSASIEDQSA-N 1 2 227.333 0.988 20 0 BCADLO COCCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931240792 634285274 /nfs/dbraw/zinc/28/52/74/634285274.db2.gz LENMLCPXGSMIRA-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO COCCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931240792 634285280 /nfs/dbraw/zinc/28/52/80/634285280.db2.gz LENMLCPXGSMIRA-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO C[NH+]1C[C@]2(C)CN(Cc3cnn[nH]3)C[C@@]2(C)C1 ZINC000931315638 634335126 /nfs/dbraw/zinc/33/51/26/634335126.db2.gz YTMXYCVNRNVYHX-VXGBXAGGSA-N 1 2 235.335 0.578 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000893546562 635134932 /nfs/dbraw/zinc/13/49/32/635134932.db2.gz SVEAGFHMIMKUHE-LURJTMIESA-N 1 2 248.124 0.985 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000893546562 635134934 /nfs/dbraw/zinc/13/49/34/635134934.db2.gz SVEAGFHMIMKUHE-LURJTMIESA-N 1 2 248.124 0.985 20 0 BCADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1ccon1 ZINC001027764877 635139273 /nfs/dbraw/zinc/13/92/73/635139273.db2.gz BFFLCTNXBPUUAC-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1ccon1 ZINC001027764877 635139280 /nfs/dbraw/zinc/13/92/80/635139280.db2.gz BFFLCTNXBPUUAC-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)COC(C)=O ZINC000893629651 635339279 /nfs/dbraw/zinc/33/92/79/635339279.db2.gz DXLKMKWHVZYAJQ-MWLCHTKSSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1[C@H](C)COC(C)=O ZINC000893629651 635339282 /nfs/dbraw/zinc/33/92/82/635339282.db2.gz DXLKMKWHVZYAJQ-MWLCHTKSSA-N 1 2 243.303 0.966 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21 ZINC000957990002 635484056 /nfs/dbraw/zinc/48/40/56/635484056.db2.gz DEAOMSZSFFDILB-PJXYFTJBSA-N 1 2 246.314 0.351 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21 ZINC000957990002 635484063 /nfs/dbraw/zinc/48/40/63/635484063.db2.gz DEAOMSZSFFDILB-PJXYFTJBSA-N 1 2 246.314 0.351 20 0 BCADLO CNc1cc(N2CCO[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000894223868 635757262 /nfs/dbraw/zinc/75/72/62/635757262.db2.gz QLZPIDDEMWSPKO-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000894223868 635757270 /nfs/dbraw/zinc/75/72/70/635757270.db2.gz QLZPIDDEMWSPKO-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 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CC(F)(F)CCC[N@@H+]1CCNC(=O)C1 ZINC000929137570 636829461 /nfs/dbraw/zinc/82/94/61/636829461.db2.gz JEGJKBCAYSTZPV-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CC(F)(F)CCC[N@H+]1CCNC(=O)C1 ZINC000929137570 636829467 /nfs/dbraw/zinc/82/94/67/636829467.db2.gz JEGJKBCAYSTZPV-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CC[C@H]1COCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865905803 636831425 /nfs/dbraw/zinc/83/14/25/636831425.db2.gz XBIDQMPYILRJBY-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CC[C@H]1COCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865905802 636831954 /nfs/dbraw/zinc/83/19/54/636831954.db2.gz XBIDQMPYILRJBY-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO CC(=O)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923895298 637016285 /nfs/dbraw/zinc/01/62/85/637016285.db2.gz OJYRDEXHCQZCPU-SNVBAGLBSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923895298 637016293 /nfs/dbraw/zinc/01/62/93/637016293.db2.gz OJYRDEXHCQZCPU-SNVBAGLBSA-N 1 2 213.277 0.991 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898889106 637063114 /nfs/dbraw/zinc/06/31/14/637063114.db2.gz OGOAFUVYZBFTAI-PSASIEDQSA-N 1 2 243.282 0.564 20 0 BCADLO CC(C)(CNC(=O)c1cccnn1)n1cc[nH+]c1 ZINC000898911410 637064559 /nfs/dbraw/zinc/06/45/59/637064559.db2.gz QTXVWOMPPPQWMQ-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO CCn1cc(C[N@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000899877105 637146644 /nfs/dbraw/zinc/14/66/44/637146644.db2.gz CBKJPMSGXKOZEG-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1cc(C[N@@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000899877105 637146645 /nfs/dbraw/zinc/14/66/45/637146645.db2.gz CBKJPMSGXKOZEG-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO Cn1cccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900904298 637196484 /nfs/dbraw/zinc/19/64/84/637196484.db2.gz PBKOVAWFJABYGJ-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900929311 637212862 /nfs/dbraw/zinc/21/28/62/637212862.db2.gz BXSMVXYUEPHWHH-SECBINFHSA-N 1 2 223.276 0.333 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)C(=O)N(C)C ZINC000042571067 637284947 /nfs/dbraw/zinc/28/49/47/637284947.db2.gz CXJQIFMTPMZTIY-SSDOTTSWSA-N 1 2 244.726 0.640 20 0 BCADLO FC(F)(F)c1nnn(CCn2cc[nH+]c2)n1 ZINC000902647046 637318349 /nfs/dbraw/zinc/31/83/49/637318349.db2.gz BWJXULBUXPASNE-UHFFFAOYSA-N 1 2 232.169 0.589 20 0 BCADLO OCC(F)(F)C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903154012 637348168 /nfs/dbraw/zinc/34/81/68/637348168.db2.gz VCVPVGJTVLOKGD-IUCAKERBSA-N 1 2 237.246 0.152 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(C3CC3)c2N)CC1 ZINC000905018315 637552058 /nfs/dbraw/zinc/55/20/58/637552058.db2.gz WAJZFQMKIXEWPI-UHFFFAOYSA-N 1 2 249.318 0.188 20 0 BCADLO c1cn(Cc2cn(C3=NOCC3)nn2)c[nH+]1 ZINC000905062893 637599181 /nfs/dbraw/zinc/59/91/81/637599181.db2.gz WXLKAZVMMUJEIF-UHFFFAOYSA-N 1 2 218.220 0.105 20 0 BCADLO CC(C)(C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000905160530 637648671 /nfs/dbraw/zinc/64/86/71/637648671.db2.gz CZJWERSVNGBLTJ-MRVPVSSYSA-N 1 2 222.292 0.906 20 0 BCADLO CC(F)(F)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905266251 637719310 /nfs/dbraw/zinc/71/93/10/637719310.db2.gz CIBKGXRDBWDPGK-QMMMGPOBSA-N 1 2 239.262 0.134 20 0 BCADLO CC(F)(F)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905267603 637720711 /nfs/dbraw/zinc/72/07/11/637720711.db2.gz LZPQSIRLKXESPO-QMMMGPOBSA-N 1 2 223.263 0.897 20 0 BCADLO CON1CC[C@H]([NH2+][C@H](C)c2cscn2)C1=O ZINC000905777524 637908005 /nfs/dbraw/zinc/90/80/05/637908005.db2.gz FYKREPUZEGWHMD-SFYZADRCSA-N 1 2 241.316 0.956 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000905780476 637910500 /nfs/dbraw/zinc/91/05/00/637910500.db2.gz QPJBQISFJACVDF-QEYWKRMJSA-N 1 2 242.319 0.428 20 0 BCADLO CON1CC[C@H]([NH2+][C@H](C)c2ccn(C)n2)C1=O ZINC000905772944 637929741 /nfs/dbraw/zinc/92/97/41/637929741.db2.gz QSIMRINTLJYVSW-SCZZXKLOSA-N 1 2 238.291 0.233 20 0 BCADLO CCOC(=O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905816075 637943611 /nfs/dbraw/zinc/94/36/11/637943611.db2.gz LSFHVNDUGSRGKX-UHFFFAOYSA-N 1 2 247.258 0.480 20 0 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C[C@@H](O)[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907264979 638336502 /nfs/dbraw/zinc/33/65/02/638336502.db2.gz OQVPFSYJKPRGRM-MNOVXSKESA-N 1 2 249.314 0.723 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907311768 638339189 /nfs/dbraw/zinc/33/91/89/638339189.db2.gz DZFLHFLXOAFVJH-VHSXEESVSA-N 1 2 237.303 0.769 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CCO)c1ccco1 ZINC000907437303 638381857 /nfs/dbraw/zinc/38/18/57/638381857.db2.gz LBESQWKOSZENDQ-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907453911 638388295 /nfs/dbraw/zinc/38/82/95/638388295.db2.gz CRMATUGJYDAQRL-GKQMSVHHSA-N 1 2 223.276 0.396 20 0 BCADLO COCC1=CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907491761 638391430 /nfs/dbraw/zinc/39/14/30/638391430.db2.gz GFYJBOMLGGFUOC-UHFFFAOYSA-N 1 2 235.287 0.757 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000907501772 638394468 /nfs/dbraw/zinc/39/44/68/638394468.db2.gz PUHQFANVEJIYJZ-GHMZBOCLSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000907553173 638404273 /nfs/dbraw/zinc/40/42/73/638404273.db2.gz GSWNFKARELHDKB-GXSJLCMTSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CO ZINC000907632205 638426011 /nfs/dbraw/zinc/42/60/11/638426011.db2.gz MNWWJRUHBQFZAM-WPRPVWTQSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000907612611 638432604 /nfs/dbraw/zinc/43/26/04/638432604.db2.gz UYOSXYTWLXMPQU-GXFFZTMASA-N 1 2 247.298 0.334 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907782478 638472304 /nfs/dbraw/zinc/47/23/04/638472304.db2.gz ZTQZCHLHHHDUJA-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCSC1 ZINC000907852819 638487610 /nfs/dbraw/zinc/48/76/10/638487610.db2.gz WYSLWYGXQSCPIR-QMMMGPOBSA-N 1 2 225.317 0.822 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CC1CCC1 ZINC000907891007 638501821 /nfs/dbraw/zinc/50/18/21/638501821.db2.gz PODKHHWYWNMFJN-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(C2CCOCC2)C1 ZINC000908020936 638550486 /nfs/dbraw/zinc/55/04/86/638550486.db2.gz NDYNRZPYLYDIBT-UHFFFAOYSA-N 1 2 249.314 0.837 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907999442 638553376 /nfs/dbraw/zinc/55/33/76/638553376.db2.gz CVZFDAFPMNBUAS-GXSJLCMTSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCn2nccc21 ZINC000908083520 638560344 /nfs/dbraw/zinc/56/03/44/638560344.db2.gz VDTVJSMBJWGJBA-UHFFFAOYSA-N 1 2 243.270 0.737 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2C[C@@H]21 ZINC000908133067 638577897 /nfs/dbraw/zinc/57/78/97/638577897.db2.gz KBZGZOCBRXEMIT-SCZZXKLOSA-N 1 2 205.261 0.963 20 0 BCADLO O=C(CCF)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908134578 638577918 /nfs/dbraw/zinc/57/79/18/638577918.db2.gz UDWZVARJNXDOIK-MRVPVSSYSA-N 1 2 211.240 0.674 20 0 BCADLO C[C@H]1COCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908158831 638582107 /nfs/dbraw/zinc/58/21/07/638582107.db2.gz ATZFFWVYHSHGLH-UWVGGRQHSA-N 1 2 237.303 0.741 20 0 BCADLO C[C@H]1COCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908158832 638582666 /nfs/dbraw/zinc/58/26/66/638582666.db2.gz ATZFFWVYHSHGLH-VHSXEESVSA-N 1 2 237.303 0.741 20 0 BCADLO Cc1cc(C)c(C(=O)N(C)CCC(N)=O)c(C)[nH+]1 ZINC000908170661 638584571 /nfs/dbraw/zinc/58/45/71/638584571.db2.gz RVTWUZZYKUNKFT-UHFFFAOYSA-N 1 2 249.314 0.954 20 0 BCADLO CCCNc1cc(N[C@@H]2COC[C@@H]2O)nc[nH+]1 ZINC000323716104 638589573 /nfs/dbraw/zinc/58/95/73/638589573.db2.gz MZFCYFCQSZNDCM-BDAKNGLRSA-N 1 2 238.291 0.470 20 0 BCADLO CCCNc1cc(N[C@@H]2COC[C@@H]2O)[nH+]cn1 ZINC000323716104 638589579 /nfs/dbraw/zinc/58/95/79/638589579.db2.gz MZFCYFCQSZNDCM-BDAKNGLRSA-N 1 2 238.291 0.470 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000908262248 638626481 /nfs/dbraw/zinc/62/64/81/638626481.db2.gz WSPLJADJTLVWGP-DVVUODLYSA-N 1 2 237.303 0.707 20 0 BCADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000908261991 638627592 /nfs/dbraw/zinc/62/75/92/638627592.db2.gz UHQKVHKVMRKFKB-MWLCHTKSSA-N 1 2 237.303 0.851 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908289019 638634172 /nfs/dbraw/zinc/63/41/72/638634172.db2.gz GRLTYJAWWUHCEA-SFYZADRCSA-N 1 2 211.265 0.492 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000908330306 638654752 /nfs/dbraw/zinc/65/47/52/638654752.db2.gz VPVLCCQYZBMYOW-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO Cc1nc(NC(=O)CNc2cccc[nH+]2)nn1C ZINC000908362721 638670150 /nfs/dbraw/zinc/67/01/50/638670150.db2.gz ZWBGGZPPXLCBQJ-UHFFFAOYSA-N 1 2 246.274 0.569 20 0 BCADLO CCN(CC(C)=O)C(=O)CNc1cccc[nH+]1 ZINC000908385125 638681973 /nfs/dbraw/zinc/68/19/73/638681973.db2.gz ITHJEDXCFBAXKN-UHFFFAOYSA-N 1 2 235.287 0.931 20 0 BCADLO COC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908406637 638698111 /nfs/dbraw/zinc/69/81/11/638698111.db2.gz HEFVJMYDHXXULK-VIFPVBQESA-N 1 2 209.249 0.200 20 0 BCADLO CO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000908430816 638708607 /nfs/dbraw/zinc/70/86/07/638708607.db2.gz MODYZIGCBPTZQL-SNVBAGLBSA-N 1 2 223.276 0.493 20 0 BCADLO CO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000908430813 638709011 /nfs/dbraw/zinc/70/90/11/638709011.db2.gz MODYZIGCBPTZQL-JTQLQIEISA-N 1 2 223.276 0.493 20 0 BCADLO CC[C@H](CO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000908518535 638754617 /nfs/dbraw/zinc/75/46/17/638754617.db2.gz FGXJRZBVTNHHMI-SNVBAGLBSA-N 1 2 237.303 0.723 20 0 BCADLO CCC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908522330 638996341 /nfs/dbraw/zinc/99/63/41/638996341.db2.gz MOPQSPAWIMLXPL-SNVBAGLBSA-N 1 2 225.292 0.884 20 0 BCADLO O=C(CNc1cccc[nH+]1)N(C1CC1)C1COC1 ZINC000908509103 639002548 /nfs/dbraw/zinc/00/25/48/639002548.db2.gz JMEVJLZTDQJEPR-UHFFFAOYSA-N 1 2 247.298 0.883 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757910 639062284 /nfs/dbraw/zinc/06/22/84/639062284.db2.gz FOUZMWBMAYGCPU-QXEWZRGKSA-N 1 2 237.303 0.331 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908761414 639062923 /nfs/dbraw/zinc/06/29/23/639062923.db2.gz SHRZCPCEIUFATN-CKUGJSDZSA-N 1 2 249.314 0.641 20 0 BCADLO O=C(COC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908759284 639063833 /nfs/dbraw/zinc/06/38/33/639063833.db2.gz CXXJKKKGXLMYKX-MRVPVSSYSA-N 1 2 221.260 0.103 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nn2ccnn2)c[nH+]1 ZINC000908821781 639068583 /nfs/dbraw/zinc/06/85/83/639068583.db2.gz QOEDGKFNVDSAQV-UHFFFAOYSA-N 1 2 234.263 0.288 20 0 BCADLO CC[C@](C)(CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908930551 639103884 /nfs/dbraw/zinc/10/38/84/639103884.db2.gz WSOUUNIVTQWLBY-LLVKDONJSA-N 1 2 225.292 0.884 20 0 BCADLO CC1(CO)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000909041759 639123825 /nfs/dbraw/zinc/12/38/25/639123825.db2.gz LLQZUJQVMGEBNK-UHFFFAOYSA-N 1 2 235.287 0.334 20 0 BCADLO CC[C@H](NC(=O)CNc1cccc[nH+]1)[C@H](C)O ZINC000909024962 639127633 /nfs/dbraw/zinc/12/76/33/639127633.db2.gz JBDDGJPXIKMJMV-UWVGGRQHSA-N 1 2 237.303 0.769 20 0 BCADLO CC[C@@H](CO)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856527 639233371 /nfs/dbraw/zinc/23/33/71/639233371.db2.gz NHNWRHHLGOBDQJ-VIFPVBQESA-N 1 2 225.292 0.097 20 0 BCADLO CC[C@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000909924805 639270577 /nfs/dbraw/zinc/27/05/77/639270577.db2.gz KMPNAJQQHVLFCR-JTQLQIEISA-N 1 2 212.249 0.587 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=CC1 ZINC000910020410 639313620 /nfs/dbraw/zinc/31/36/20/639313620.db2.gz IEUCWUDCBGZTIQ-SECBINFHSA-N 1 2 205.261 0.987 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=CC1 ZINC000910020410 639313621 /nfs/dbraw/zinc/31/36/21/639313621.db2.gz IEUCWUDCBGZTIQ-SECBINFHSA-N 1 2 205.261 0.987 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000910061006 639359949 /nfs/dbraw/zinc/35/99/49/639359949.db2.gz HOAOPYXQIXOFCV-VIFPVBQESA-N 1 2 222.244 0.744 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000910436461 639447185 /nfs/dbraw/zinc/44/71/85/639447185.db2.gz VLRWTNYFKJBWAS-KXUCPTDWSA-N 1 2 237.303 0.882 20 0 BCADLO CC(C)NC(=S)N[C@H](C)C[NH+]1CCOCC1 ZINC000044093399 639584148 /nfs/dbraw/zinc/58/41/48/639584148.db2.gz BUMLLKUIZMMHGC-SNVBAGLBSA-N 1 2 245.392 0.580 20 0 BCADLO Cc1cc(CNC(=O)CCC(N)=O)cc(C)[nH+]1 ZINC000911167257 639588788 /nfs/dbraw/zinc/58/87/88/639588788.db2.gz DMLADFIBSCBVOO-UHFFFAOYSA-N 1 2 235.287 0.580 20 0 BCADLO C[C@@H]1C[C@H](CO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911183453 639589740 /nfs/dbraw/zinc/58/97/40/639589740.db2.gz RSRHOKYPINVISK-ZJUUUORDSA-N 1 2 237.303 0.429 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)cc(C)[nH+]1 ZINC000911167284 639590096 /nfs/dbraw/zinc/59/00/96/639590096.db2.gz FJVHMAPCJWENTA-WDEREUQCSA-N 1 2 247.298 0.436 20 0 BCADLO Cn1cnc(/C=C/C(=O)NCCn2cc[nH+]c2)c1 ZINC000930221703 639640027 /nfs/dbraw/zinc/64/00/27/639640027.db2.gz KBRONDXBXFSJCI-NSCUHMNNSA-N 1 2 245.286 0.446 20 0 BCADLO CC[C@H](C)C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911539908 639668878 /nfs/dbraw/zinc/66/88/78/639668878.db2.gz FEEZYNPMAVVOLY-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@@H]1CCOC1 ZINC000930302801 639691559 /nfs/dbraw/zinc/69/15/59/639691559.db2.gz APFNKWAYKBXBLT-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000930302801 639691561 /nfs/dbraw/zinc/69/15/61/639691561.db2.gz APFNKWAYKBXBLT-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1nocc1NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000911675524 639717479 /nfs/dbraw/zinc/71/74/79/639717479.db2.gz CMKSUWXLKBGTBK-KWQFWETISA-N 1 2 239.275 0.377 20 0 BCADLO Cc1nocc1NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000911675524 639717484 /nfs/dbraw/zinc/71/74/84/639717484.db2.gz CMKSUWXLKBGTBK-KWQFWETISA-N 1 2 239.275 0.377 20 0 BCADLO Cc1nocc1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000911675522 639718389 /nfs/dbraw/zinc/71/83/89/639718389.db2.gz CMKSUWXLKBGTBK-GZMMTYOYSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1nocc1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000911675522 639718399 /nfs/dbraw/zinc/71/83/99/639718399.db2.gz CMKSUWXLKBGTBK-GZMMTYOYSA-N 1 2 239.275 0.377 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930352231 639724802 /nfs/dbraw/zinc/72/48/02/639724802.db2.gz WEDYHFSFANLVND-SSDOTTSWSA-N 1 2 246.270 0.427 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000930360547 639729943 /nfs/dbraw/zinc/72/99/43/639729943.db2.gz MOKDAASLKMLYHH-FZPLPXEFSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CC[C@](F)(CO)C1 ZINC000930360547 639729947 /nfs/dbraw/zinc/72/99/47/639729947.db2.gz MOKDAASLKMLYHH-FZPLPXEFSA-N 1 2 231.267 0.512 20 0 BCADLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)CO ZINC000930581108 639813782 /nfs/dbraw/zinc/81/37/82/639813782.db2.gz OTWAEDMQCXUCGW-QMMMGPOBSA-N 1 2 231.242 0.750 20 0 BCADLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)CO ZINC000930581108 639813783 /nfs/dbraw/zinc/81/37/83/639813783.db2.gz OTWAEDMQCXUCGW-QMMMGPOBSA-N 1 2 231.242 0.750 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000930593710 639815211 /nfs/dbraw/zinc/81/52/11/639815211.db2.gz CMIDHNBTTOAWBZ-MWLCHTKSSA-N 1 2 230.283 0.973 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000930593710 639815212 /nfs/dbraw/zinc/81/52/12/639815212.db2.gz CMIDHNBTTOAWBZ-MWLCHTKSSA-N 1 2 230.283 0.973 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000930593708 639815473 /nfs/dbraw/zinc/81/54/73/639815473.db2.gz CMIDHNBTTOAWBZ-GXSJLCMTSA-N 1 2 230.283 0.973 20 0 BCADLO CON1CC[C@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000930593708 639815474 /nfs/dbraw/zinc/81/54/74/639815474.db2.gz CMIDHNBTTOAWBZ-GXSJLCMTSA-N 1 2 230.283 0.973 20 0 BCADLO C[C@H](COCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911901773 639867232 /nfs/dbraw/zinc/86/72/32/639867232.db2.gz NFOGJUWWTOAKIN-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000911888662 639870035 /nfs/dbraw/zinc/87/00/35/639870035.db2.gz UZESRNAIHFWDSB-MWLCHTKSSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H](CCO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911919795 639878870 /nfs/dbraw/zinc/87/88/70/639878870.db2.gz WEPWTJSUYHWAES-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nncs1 ZINC000930817184 639918902 /nfs/dbraw/zinc/91/89/02/639918902.db2.gz GZXFYDUNJHQHJM-RNFRBKRXSA-N 1 2 215.278 0.042 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@@H](C)c1snnc1C ZINC000930819780 639921849 /nfs/dbraw/zinc/92/18/49/639921849.db2.gz JOPIKZLBILXLRP-QMMMGPOBSA-N 1 2 242.348 0.975 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@@H](C)c1snnc1C ZINC000930819780 639921856 /nfs/dbraw/zinc/92/18/56/639921856.db2.gz JOPIKZLBILXLRP-QMMMGPOBSA-N 1 2 242.348 0.975 20 0 BCADLO CCn1nccc1NC(=O)C[C@H]([NH3+])C(F)F ZINC000912052460 639938018 /nfs/dbraw/zinc/93/80/18/639938018.db2.gz YORINJRTGWPXCV-LURJTMIESA-N 1 2 232.234 0.824 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccc(N)nc1 ZINC000930839208 639938647 /nfs/dbraw/zinc/93/86/47/639938647.db2.gz KRXNAASVRJCISZ-IVZWLZJFSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000930839208 639938654 /nfs/dbraw/zinc/93/86/54/639938654.db2.gz KRXNAASVRJCISZ-IVZWLZJFSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H](O)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930871028 639954291 /nfs/dbraw/zinc/95/42/91/639954291.db2.gz MIPCAWHOVDOMMX-LDYMZIIASA-N 1 2 215.293 0.831 20 0 BCADLO Nc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000930865149 639955833 /nfs/dbraw/zinc/95/58/33/639955833.db2.gz XOGJPAWGICXHIG-XQJJYNOISA-N 1 2 237.328 0.369 20 0 BCADLO Nc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000930865149 639955837 /nfs/dbraw/zinc/95/58/37/639955837.db2.gz XOGJPAWGICXHIG-XQJJYNOISA-N 1 2 237.328 0.369 20 0 BCADLO CNC(=O)CCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930871817 639962804 /nfs/dbraw/zinc/96/28/04/639962804.db2.gz FVRINUOICXSXHA-GFCCVEGCSA-N 1 2 242.319 0.586 20 0 BCADLO C[N@H+](CCO[C@H]1CCOC1)Cc1cnc[nH]1 ZINC000930913600 639983964 /nfs/dbraw/zinc/98/39/64/639983964.db2.gz BNLRLXGXTCFSOC-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1cnc[nH]1 ZINC000930913600 639983981 /nfs/dbraw/zinc/98/39/81/639983981.db2.gz BNLRLXGXTCFSOC-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[N@H+](CCO[C@H]1CCOC1)Cc1c[nH]cn1 ZINC000930913600 639983994 /nfs/dbraw/zinc/98/39/94/639983994.db2.gz BNLRLXGXTCFSOC-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1c[nH]cn1 ZINC000930913600 639984000 /nfs/dbraw/zinc/98/40/00/639984000.db2.gz BNLRLXGXTCFSOC-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CCn1[nH]c(C)nc1=NC(=O)CCc1c[nH]c[nH+]1 ZINC000912165025 639985098 /nfs/dbraw/zinc/98/50/98/639985098.db2.gz HCYCSYBOOAHABR-UHFFFAOYSA-N 1 2 248.290 0.323 20 0 BCADLO CCn1[nH]c(C)nc1=NC(=O)CCc1c[nH+]c[nH]1 ZINC000912165025 639985105 /nfs/dbraw/zinc/98/51/05/639985105.db2.gz HCYCSYBOOAHABR-UHFFFAOYSA-N 1 2 248.290 0.323 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)C1(O)CCCC1 ZINC000930917488 639987300 /nfs/dbraw/zinc/98/73/00/639987300.db2.gz WWQFQBVJHWPDLP-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)C1(O)CCCC1 ZINC000930917488 639987310 /nfs/dbraw/zinc/98/73/10/639987310.db2.gz WWQFQBVJHWPDLP-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)C1(O)CCCC1 ZINC000930917488 639987317 /nfs/dbraw/zinc/98/73/17/639987317.db2.gz WWQFQBVJHWPDLP-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)C1(O)CCCC1 ZINC000930917488 639987323 /nfs/dbraw/zinc/98/73/23/639987323.db2.gz WWQFQBVJHWPDLP-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912185538 639988090 /nfs/dbraw/zinc/98/80/90/639988090.db2.gz OFWYEAPTINDRIN-GFCCVEGCSA-N 1 2 247.298 0.922 20 0 BCADLO C[C@H](c1ncccn1)[N@H+]1CCC(=O)N(C)CC1 ZINC000930990214 640015016 /nfs/dbraw/zinc/01/50/16/640015016.db2.gz KRQZRBIHYLHIOQ-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO C[C@H](c1ncccn1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000930990214 640015025 /nfs/dbraw/zinc/01/50/25/640015025.db2.gz KRQZRBIHYLHIOQ-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO Cn1cc(C[N@H+](C)CCc2ccns2)nn1 ZINC000931016412 640021889 /nfs/dbraw/zinc/02/18/89/640021889.db2.gz TVCFINYAAVVBBJ-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(C[N@@H+](C)CCc2ccns2)nn1 ZINC000931016412 640021896 /nfs/dbraw/zinc/02/18/96/640021896.db2.gz TVCFINYAAVVBBJ-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC/C=C/CO ZINC000912385994 640037783 /nfs/dbraw/zinc/03/77/83/640037783.db2.gz UBZKNWHMXGLSSC-ONEGZZNKSA-N 1 2 221.260 0.158 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912402720 640052212 /nfs/dbraw/zinc/05/22/12/640052212.db2.gz PQLJCQFUBYKVCD-CZMCAQCFSA-N 1 2 223.276 0.636 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000931065103 640052355 /nfs/dbraw/zinc/05/23/55/640052355.db2.gz KYHMKHHBZORDIM-LLVKDONJSA-N 1 2 249.314 0.640 20 0 BCADLO c1cnc2c(n1)CC[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000931065103 640052359 /nfs/dbraw/zinc/05/23/59/640052359.db2.gz KYHMKHHBZORDIM-LLVKDONJSA-N 1 2 249.314 0.640 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931080497 640060955 /nfs/dbraw/zinc/06/09/55/640060955.db2.gz RQUVHHQEKPMTSJ-QXFUBDJGSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931080497 640060959 /nfs/dbraw/zinc/06/09/59/640060959.db2.gz RQUVHHQEKPMTSJ-QXFUBDJGSA-N 1 2 239.262 0.084 20 0 BCADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000931136195 640071346 /nfs/dbraw/zinc/07/13/46/640071346.db2.gz MYNLOPANVKNWCR-UWVGGRQHSA-N 1 2 222.292 0.978 20 0 BCADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000931136195 640071356 /nfs/dbraw/zinc/07/13/56/640071356.db2.gz MYNLOPANVKNWCR-UWVGGRQHSA-N 1 2 222.292 0.978 20 0 BCADLO CC1(C[N@@H+]2CCC[C@H]2c2nnc[nH]2)COC1 ZINC000931133742 640072596 /nfs/dbraw/zinc/07/25/96/640072596.db2.gz FKFJQPCRDLBKRR-VIFPVBQESA-N 1 2 222.292 0.978 20 0 BCADLO CC1(C[N@H+]2CCC[C@H]2c2nnc[nH]2)COC1 ZINC000931133742 640072603 /nfs/dbraw/zinc/07/26/03/640072603.db2.gz FKFJQPCRDLBKRR-VIFPVBQESA-N 1 2 222.292 0.978 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140359 640075949 /nfs/dbraw/zinc/07/59/49/640075949.db2.gz ISSUBXPISAZUHA-BDAKNGLRSA-N 1 2 210.281 0.570 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140359 640075955 /nfs/dbraw/zinc/07/59/55/640075955.db2.gz ISSUBXPISAZUHA-BDAKNGLRSA-N 1 2 210.281 0.570 20 0 BCADLO CCc1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000931180706 640093469 /nfs/dbraw/zinc/09/34/69/640093469.db2.gz YEVLVABYYCGJRA-VIFPVBQESA-N 1 2 223.276 0.687 20 0 BCADLO CCc1ncc(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000931180706 640093476 /nfs/dbraw/zinc/09/34/76/640093476.db2.gz YEVLVABYYCGJRA-VIFPVBQESA-N 1 2 223.276 0.687 20 0 BCADLO C[N@H+](CCCCF)C1CS(=O)(=O)C1 ZINC000931236071 640106008 /nfs/dbraw/zinc/10/60/08/640106008.db2.gz PXNOHGLZLZHPCC-UHFFFAOYSA-N 1 2 209.286 0.465 20 0 BCADLO C[N@@H+](CCCCF)C1CS(=O)(=O)C1 ZINC000931236071 640106014 /nfs/dbraw/zinc/10/60/14/640106014.db2.gz PXNOHGLZLZHPCC-UHFFFAOYSA-N 1 2 209.286 0.465 20 0 BCADLO C[N@H+](C1CS(=O)(=O)C1)C1CCCC1 ZINC000931233672 640108829 /nfs/dbraw/zinc/10/88/29/640108829.db2.gz AQPQNELVZYNXNB-UHFFFAOYSA-N 1 2 203.307 0.658 20 0 BCADLO C[N@@H+](C1CS(=O)(=O)C1)C1CCCC1 ZINC000931233672 640108832 /nfs/dbraw/zinc/10/88/32/640108832.db2.gz AQPQNELVZYNXNB-UHFFFAOYSA-N 1 2 203.307 0.658 20 0 BCADLO CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)c1nn[nH]n1 ZINC000912616365 640125434 /nfs/dbraw/zinc/12/54/34/640125434.db2.gz DGKKUSWPFSLHJS-ZETCQYMHSA-N 1 2 238.295 0.035 20 0 BCADLO COC/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613799 640135047 /nfs/dbraw/zinc/13/50/47/640135047.db2.gz CKDQNHYMNUNUOR-PLNGDYQASA-N 1 2 237.303 0.937 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)/C=C/C1CC1 ZINC000912613397 640137207 /nfs/dbraw/zinc/13/72/07/640137207.db2.gz BDCKXLHYUSDQSD-ORAHPGNNSA-N 1 2 235.287 0.536 20 0 BCADLO CCC/C=C/C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912612367 640137891 /nfs/dbraw/zinc/13/78/91/640137891.db2.gz LTNUGEYUAXDKAN-PORFMDCZSA-N 1 2 237.303 0.926 20 0 BCADLO C[C@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615651 640139882 /nfs/dbraw/zinc/13/98/82/640139882.db2.gz OLXAIBGGDDWDKH-QMMMGPOBSA-N 1 2 211.265 0.115 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H]1CCC(=O)O1)C2 ZINC000931313761 640152886 /nfs/dbraw/zinc/15/28/86/640152886.db2.gz OUEIDCHZNIHZGK-QMMMGPOBSA-N 1 2 249.270 0.512 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H]1CCC(=O)O1)C2 ZINC000931313761 640152887 /nfs/dbraw/zinc/15/28/87/640152887.db2.gz OUEIDCHZNIHZGK-QMMMGPOBSA-N 1 2 249.270 0.512 20 0 BCADLO CC(=O)CN1CC[NH+](CCc2ccncc2)CC1 ZINC000931338421 640165577 /nfs/dbraw/zinc/16/55/77/640165577.db2.gz IIJKMWMMJUGOPC-UHFFFAOYSA-N 1 2 247.342 0.831 20 0 BCADLO CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(C)(C)C ZINC000931396778 640178971 /nfs/dbraw/zinc/17/89/71/640178971.db2.gz JMQHWPZLGZIALB-PHIMTYICSA-N 1 2 239.363 0.680 20 0 BCADLO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(C)(C)C ZINC000931396778 640178977 /nfs/dbraw/zinc/17/89/77/640178977.db2.gz JMQHWPZLGZIALB-PHIMTYICSA-N 1 2 239.363 0.680 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409044 640185349 /nfs/dbraw/zinc/18/53/49/640185349.db2.gz ICZWVZWYSNGWAS-WCQYABFASA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409044 640185353 /nfs/dbraw/zinc/18/53/53/640185353.db2.gz ICZWVZWYSNGWAS-WCQYABFASA-N 1 2 235.331 0.751 20 0 BCADLO C[N@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCOC1=O ZINC000150927406 640185967 /nfs/dbraw/zinc/18/59/67/640185967.db2.gz VCASBXIPRYCLOH-SECBINFHSA-N 1 2 243.303 0.966 20 0 BCADLO C[N@@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCOC1=O ZINC000150927406 640185968 /nfs/dbraw/zinc/18/59/68/640185968.db2.gz VCASBXIPRYCLOH-SECBINFHSA-N 1 2 243.303 0.966 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931408926 640186715 /nfs/dbraw/zinc/18/67/15/640186715.db2.gz HDHYJIWRIOSJTF-AAEUAGOBSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931408926 640186719 /nfs/dbraw/zinc/18/67/19/640186719.db2.gz HDHYJIWRIOSJTF-AAEUAGOBSA-N 1 2 235.331 0.751 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCc2n[nH]cc2C1 ZINC000912772230 640199062 /nfs/dbraw/zinc/19/90/62/640199062.db2.gz UBQQSAHJRDUFKT-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457432 640212847 /nfs/dbraw/zinc/21/28/47/640212847.db2.gz JNLJZWHKGRSERJ-IONNQARKSA-N 1 2 220.276 0.217 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457432 640212852 /nfs/dbraw/zinc/21/28/52/640212852.db2.gz JNLJZWHKGRSERJ-IONNQARKSA-N 1 2 220.276 0.217 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458290 640217888 /nfs/dbraw/zinc/21/78/88/640217888.db2.gz HKDZONVKCLLVAY-IONNQARKSA-N 1 2 222.292 0.593 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458290 640217895 /nfs/dbraw/zinc/21/78/95/640217895.db2.gz HKDZONVKCLLVAY-IONNQARKSA-N 1 2 222.292 0.593 20 0 BCADLO C[S@](=N)(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000931611375 640287109 /nfs/dbraw/zinc/28/71/09/640287109.db2.gz TZVFLATVXGESAB-MRXNPFEDSA-N 1 2 247.364 0.375 20 0 BCADLO C/C=C\CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913166012 640315737 /nfs/dbraw/zinc/31/57/37/640315737.db2.gz GHDCHLSNRDYOCR-PVMLHGRISA-N 1 2 238.331 0.957 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+][C@H](CC)CO)C(=O)OC ZINC000931771635 640364225 /nfs/dbraw/zinc/36/42/25/640364225.db2.gz HJLKKHIONMCIGQ-OPRDCNLKSA-N 1 2 217.309 0.935 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913431900 640370436 /nfs/dbraw/zinc/37/04/36/640370436.db2.gz HYJHYFWYKKCJQC-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO CC(C)n1nnc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000913487986 640377870 /nfs/dbraw/zinc/37/78/70/640377870.db2.gz ILKRDAITXVLCEQ-UHFFFAOYSA-N 1 2 249.278 0.479 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC000913536702 640384797 /nfs/dbraw/zinc/38/47/97/640384797.db2.gz ISJKBMARXIDLAW-AOOOYVTPSA-N 1 2 238.331 0.907 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC000913536702 640384799 /nfs/dbraw/zinc/38/47/99/640384799.db2.gz ISJKBMARXIDLAW-AOOOYVTPSA-N 1 2 238.331 0.907 20 0 BCADLO CC[C@H](C)[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546043 640388839 /nfs/dbraw/zinc/38/88/39/640388839.db2.gz GHPVSCOGUIBNLH-SRVKXCTJSA-N 1 2 242.363 0.804 20 0 BCADLO CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546043 640388845 /nfs/dbraw/zinc/38/88/45/640388845.db2.gz GHPVSCOGUIBNLH-SRVKXCTJSA-N 1 2 242.363 0.804 20 0 BCADLO C[N@@H+]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CO ZINC000913542657 640392194 /nfs/dbraw/zinc/39/21/94/640392194.db2.gz ONHZXHFXMCWPFE-NSHDSACASA-N 1 2 240.347 0.558 20 0 BCADLO C[N@H+]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CO ZINC000913542657 640392198 /nfs/dbraw/zinc/39/21/98/640392198.db2.gz ONHZXHFXMCWPFE-NSHDSACASA-N 1 2 240.347 0.558 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545288 640397421 /nfs/dbraw/zinc/39/74/21/640397421.db2.gz ZKZGFLUYQCNVAA-WOPDTQHZSA-N 1 2 240.347 0.413 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545288 640397425 /nfs/dbraw/zinc/39/74/25/640397425.db2.gz ZKZGFLUYQCNVAA-WOPDTQHZSA-N 1 2 240.347 0.413 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)no1 ZINC000931936225 640397402 /nfs/dbraw/zinc/39/74/02/640397402.db2.gz MLTMGUYUYYDXGN-SECBINFHSA-N 1 2 238.291 0.256 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000931936225 640397405 /nfs/dbraw/zinc/39/74/05/640397405.db2.gz MLTMGUYUYYDXGN-SECBINFHSA-N 1 2 238.291 0.256 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000163712840 640410590 /nfs/dbraw/zinc/41/05/90/640410590.db2.gz JDSKRCPXRMLWOP-OUAUKWLOSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCCCO1 ZINC000163712840 640410594 /nfs/dbraw/zinc/41/05/94/640410594.db2.gz JDSKRCPXRMLWOP-OUAUKWLOSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137353 640437800 /nfs/dbraw/zinc/43/78/00/640437800.db2.gz UIWLKZDIDCCMMO-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137353 640437804 /nfs/dbraw/zinc/43/78/04/640437804.db2.gz UIWLKZDIDCCMMO-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932261413 640462185 /nfs/dbraw/zinc/46/21/85/640462185.db2.gz PDYFIMDFYFIEPO-JTQLQIEISA-N 1 2 222.292 0.303 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932261413 640462192 /nfs/dbraw/zinc/46/21/92/640462192.db2.gz PDYFIMDFYFIEPO-JTQLQIEISA-N 1 2 222.292 0.303 20 0 BCADLO Cc1cc(C[NH2+][C@H](C)C(=O)NC(C)C)no1 ZINC000044724832 640462433 /nfs/dbraw/zinc/46/24/33/640462433.db2.gz JIDJRVNMWXJDCQ-SECBINFHSA-N 1 2 225.292 0.986 20 0 BCADLO CS(=O)(=O)CC[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000156584523 640467570 /nfs/dbraw/zinc/46/75/70/640467570.db2.gz TUNKQFGRQYCQOS-LLVKDONJSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CC[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000156584523 640467575 /nfs/dbraw/zinc/46/75/75/640467575.db2.gz TUNKQFGRQYCQOS-LLVKDONJSA-N 1 2 247.360 0.674 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000045038239 640498075 /nfs/dbraw/zinc/49/80/75/640498075.db2.gz JLVYMDWNCPELNK-DTWKUNHWSA-N 1 2 203.282 0.953 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCOC ZINC000045038250 640498317 /nfs/dbraw/zinc/49/83/17/640498317.db2.gz JLVYMDWNCPELNK-BDAKNGLRSA-N 1 2 203.282 0.953 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCO[C@H](C)CC1 ZINC000932351492 640493771 /nfs/dbraw/zinc/49/37/71/640493771.db2.gz YRYRMKKOSMYDOW-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCO[C@H](C)CC1 ZINC000932351492 640493777 /nfs/dbraw/zinc/49/37/77/640493777.db2.gz YRYRMKKOSMYDOW-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932359450 640499059 /nfs/dbraw/zinc/49/90/59/640499059.db2.gz FRRHMLYUZAYEEP-LBPRGKRZSA-N 1 2 248.330 0.996 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001030039602 640529689 /nfs/dbraw/zinc/52/96/89/640529689.db2.gz IPBQSFHMJMJJLA-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC001030040127 640532852 /nfs/dbraw/zinc/53/28/52/640532852.db2.gz NFTYOVQVCBCEKK-MRVPVSSYSA-N 1 2 212.293 0.232 20 0 BCADLO CC(=O)NC1C[NH+](CCOc2ccccc2)C1 ZINC001030040653 640533599 /nfs/dbraw/zinc/53/35/99/640533599.db2.gz VUCYWMYAMZZOBA-UHFFFAOYSA-N 1 2 234.299 0.886 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030044249 640540815 /nfs/dbraw/zinc/54/08/15/640540815.db2.gz GRLPINGLDSLRIN-VIFPVBQESA-N 1 2 226.320 0.622 20 0 BCADLO COCc1noc(C[NH2+][C@@H]2COC[C@@H]2C)n1 ZINC000932487204 640541105 /nfs/dbraw/zinc/54/11/05/640541105.db2.gz IELXDWUKWXNBSM-JGVFFNPUSA-N 1 2 227.264 0.341 20 0 BCADLO COc1nccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000932474991 640543851 /nfs/dbraw/zinc/54/38/51/640543851.db2.gz KFRCQDCQAFEEFP-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nc(C)no1 ZINC000932478901 640544304 /nfs/dbraw/zinc/54/43/04/640544304.db2.gz OOGIRANYXDUBAO-UHFFFAOYSA-N 1 2 212.253 0.075 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nc(C)no1 ZINC000932478901 640544306 /nfs/dbraw/zinc/54/43/06/640544306.db2.gz OOGIRANYXDUBAO-UHFFFAOYSA-N 1 2 212.253 0.075 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030051618 640545592 /nfs/dbraw/zinc/54/55/92/640545592.db2.gz QLENCRGXWPPXOR-UHFFFAOYSA-N 1 2 235.287 0.142 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nnc(C(C)C)o1 ZINC000932480324 640548107 /nfs/dbraw/zinc/54/81/07/640548107.db2.gz GZEGKDJJDHSTAC-UHFFFAOYSA-N 1 2 240.307 0.890 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nnc(C(C)C)o1 ZINC000932480324 640548115 /nfs/dbraw/zinc/54/81/15/640548115.db2.gz GZEGKDJJDHSTAC-UHFFFAOYSA-N 1 2 240.307 0.890 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030052345 640550950 /nfs/dbraw/zinc/55/09/50/640550950.db2.gz LIYSMPPESQVQGV-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO O=C(Cc1cccs1)NC1C[NH+](CCO)C1 ZINC001030058998 640555020 /nfs/dbraw/zinc/55/50/20/640555020.db2.gz UEOYCDYSHZZHQY-UHFFFAOYSA-N 1 2 240.328 0.083 20 0 BCADLO CC(C)OCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000156998327 640559689 /nfs/dbraw/zinc/55/96/89/640559689.db2.gz CMSTWZLNWAOAHM-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)OCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000156998327 640559694 /nfs/dbraw/zinc/55/96/94/640559694.db2.gz CMSTWZLNWAOAHM-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO COCCc1noc(C[NH2+][C@H]2COC[C@H]2C)n1 ZINC000932502762 640560201 /nfs/dbraw/zinc/56/02/01/640560201.db2.gz WYJCGIHSIGBFDA-BDAKNGLRSA-N 1 2 241.291 0.383 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CCCCC2)C1 ZINC001030062078 640561762 /nfs/dbraw/zinc/56/17/62/640561762.db2.gz WCJCQHQJZLWBJO-JTQLQIEISA-N 1 2 240.347 0.748 20 0 BCADLO O=C(CC1CCCC1)NC1C[NH+](CCCO)C1 ZINC001030063319 640563285 /nfs/dbraw/zinc/56/32/85/640563285.db2.gz ZQCFPHVUTLYWGR-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO CC(=O)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000157151445 640577380 /nfs/dbraw/zinc/57/73/80/640577380.db2.gz FKTVRHLECNRIBI-SNVBAGLBSA-N 1 2 222.292 0.931 20 0 BCADLO CC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000157151445 640577385 /nfs/dbraw/zinc/57/73/85/640577385.db2.gz FKTVRHLECNRIBI-SNVBAGLBSA-N 1 2 222.292 0.931 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cc(C)on2)C1 ZINC001030072561 640578247 /nfs/dbraw/zinc/57/82/47/640578247.db2.gz CAXOHSAZNHAHIA-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)o1 ZINC001030080321 640582549 /nfs/dbraw/zinc/58/25/49/640582549.db2.gz GKLHTQFHURSNAI-QMMMGPOBSA-N 1 2 238.287 0.383 20 0 BCADLO CC[C@@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000932605009 640583645 /nfs/dbraw/zinc/58/36/45/640583645.db2.gz KRMZBYQZZNODAX-LLVKDONJSA-N 1 2 208.261 0.911 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030089128 640585146 /nfs/dbraw/zinc/58/51/46/640585146.db2.gz KNLGQMBOLSTDLD-GHMZBOCLSA-N 1 2 238.331 0.524 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000932607781 640585856 /nfs/dbraw/zinc/58/58/56/640585856.db2.gz WXHPDUUGYMVLAQ-NXEZZACHSA-N 1 2 206.245 0.785 20 0 BCADLO O=C(C[C@H]1C=CCC1)NC1C[NH+](CCO)C1 ZINC001030090529 640586277 /nfs/dbraw/zinc/58/62/77/640586277.db2.gz XAHKFSRZRLSHLY-JTQLQIEISA-N 1 2 224.304 0.135 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000932640096 640592241 /nfs/dbraw/zinc/59/22/41/640592241.db2.gz UGANRUVUTWGTOS-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000932640096 640592246 /nfs/dbraw/zinc/59/22/46/640592246.db2.gz UGANRUVUTWGTOS-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030103692 640592571 /nfs/dbraw/zinc/59/25/71/640592571.db2.gz CRTIMUHXJZQXEY-UHFFFAOYSA-N 1 2 237.303 0.086 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)c1ccoc1 ZINC001030101423 640592641 /nfs/dbraw/zinc/59/26/41/640592641.db2.gz DMYJQPOPHLRVHP-UHFFFAOYSA-N 1 2 224.260 0.076 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030100030 640594466 /nfs/dbraw/zinc/59/44/66/640594466.db2.gz ZHISZHTUUNKTFB-QWRGUYRKSA-N 1 2 238.331 0.524 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000932647185 640595775 /nfs/dbraw/zinc/59/57/75/640595775.db2.gz WFDHCNIVTUPGCL-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000932647185 640595778 /nfs/dbraw/zinc/59/57/78/640595778.db2.gz WFDHCNIVTUPGCL-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO Cc1nc(NC[C@H](O)c2cnn(C)c2)cc[nH+]1 ZINC000078375023 640596121 /nfs/dbraw/zinc/59/61/21/640596121.db2.gz KFAYIVDSCXVBGG-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncnc2C)C1 ZINC001030125692 640620010 /nfs/dbraw/zinc/62/00/10/640620010.db2.gz MKJJTALEOJXTJB-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030131341 640623540 /nfs/dbraw/zinc/62/35/40/640623540.db2.gz QOSJRKHWEMFYGE-ZJUUUORDSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@H]1C(=O)CCCN1CCn1cc[nH+]c1 ZINC000932852537 640624782 /nfs/dbraw/zinc/62/47/82/640624782.db2.gz WRQRWAOANLPMBV-JTQLQIEISA-N 1 2 207.277 0.937 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC001030137011 640625650 /nfs/dbraw/zinc/62/56/50/640625650.db2.gz PRCYCRYZPZFOQZ-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030141917 640628806 /nfs/dbraw/zinc/62/88/06/640628806.db2.gz JEINADCBIFUBKK-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO Cc1ncoc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030187434 640665930 /nfs/dbraw/zinc/66/59/30/640665930.db2.gz IZIZIKAPHPUFAE-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030194736 640671610 /nfs/dbraw/zinc/67/16/10/640671610.db2.gz OXYARUGVVDLRPF-IUCAKERBSA-N 1 2 226.320 0.214 20 0 BCADLO Cc1cccnc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030200614 640677941 /nfs/dbraw/zinc/67/79/41/640677941.db2.gz ZJVKIIUQPSSYMI-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)cn1 ZINC000933221449 640684321 /nfs/dbraw/zinc/68/43/21/640684321.db2.gz UJSZMIZDQIHMAV-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)cn1 ZINC000933221449 640684326 /nfs/dbraw/zinc/68/43/26/640684326.db2.gz UJSZMIZDQIHMAV-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)cn1 ZINC000933225367 640684506 /nfs/dbraw/zinc/68/45/06/640684506.db2.gz UJSZMIZDQIHMAV-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)cn1 ZINC000933225367 640684508 /nfs/dbraw/zinc/68/45/08/640684508.db2.gz UJSZMIZDQIHMAV-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933226326 640684770 /nfs/dbraw/zinc/68/47/70/640684770.db2.gz UULQPQKXCHVHHM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1CC ZINC000933226326 640684772 /nfs/dbraw/zinc/68/47/72/640684772.db2.gz UULQPQKXCHVHHM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccnc(C)n1 ZINC000933230064 640687636 /nfs/dbraw/zinc/68/76/36/640687636.db2.gz CZWAYMGYYFIBAV-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000933230064 640687641 /nfs/dbraw/zinc/68/76/41/640687641.db2.gz CZWAYMGYYFIBAV-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCn1cnc2c1CC[N@H+](CCCO)C2 ZINC000933259372 640692162 /nfs/dbraw/zinc/69/21/62/640692162.db2.gz NMAXUOYQCQBBOB-UHFFFAOYSA-N 1 2 209.293 0.644 20 0 BCADLO CCn1cnc2c1CC[N@@H+](CCCO)C2 ZINC000933259372 640692165 /nfs/dbraw/zinc/69/21/65/640692165.db2.gz NMAXUOYQCQBBOB-UHFFFAOYSA-N 1 2 209.293 0.644 20 0 BCADLO CC[NH2+]Cc1noc(-c2ccn(C)c(=O)c2)n1 ZINC000225428175 640693070 /nfs/dbraw/zinc/69/30/70/640693070.db2.gz RSEUBCDQDWIXJN-UHFFFAOYSA-N 1 2 234.259 0.545 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001030223095 640694441 /nfs/dbraw/zinc/69/44/41/640694441.db2.gz XGUUDBVHHHNCCB-SNVBAGLBSA-N 1 2 221.304 0.869 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933297470 640701374 /nfs/dbraw/zinc/70/13/74/640701374.db2.gz KKPBJQHSBNVSLC-HBNTYKKESA-N 1 2 237.303 0.670 20 0 BCADLO CC[C@](C)(O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933299754 640702827 /nfs/dbraw/zinc/70/28/27/640702827.db2.gz WJIDLCZGMBJEFE-PWSUYJOCSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322103 640704312 /nfs/dbraw/zinc/70/43/12/640704312.db2.gz FVWGCPSDNQJOEG-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322103 640704316 /nfs/dbraw/zinc/70/43/16/640704316.db2.gz FVWGCPSDNQJOEG-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000933328781 640704778 /nfs/dbraw/zinc/70/47/78/640704778.db2.gz CHSAAOVIXQALCF-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@@H]1COCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000933328781 640704782 /nfs/dbraw/zinc/70/47/82/640704782.db2.gz CHSAAOVIXQALCF-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@H]1COCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000933332316 640706748 /nfs/dbraw/zinc/70/67/48/640706748.db2.gz RIYDLCXASRBRNS-WDEREUQCSA-N 1 2 245.319 0.485 20 0 BCADLO COC[C@H]1COCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000933332316 640706749 /nfs/dbraw/zinc/70/67/49/640706749.db2.gz RIYDLCXASRBRNS-WDEREUQCSA-N 1 2 245.319 0.485 20 0 BCADLO CC1(C)CC(C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030273310 640722462 /nfs/dbraw/zinc/72/24/62/640722462.db2.gz WBMITWBAGVXJJZ-UHFFFAOYSA-N 1 2 240.347 0.605 20 0 BCADLO Cn1nccc1[C@H]1C[N@H+](CCCO)CCO1 ZINC000933526715 640722685 /nfs/dbraw/zinc/72/26/85/640722685.db2.gz CGVDYNUGGQWHFD-LLVKDONJSA-N 1 2 225.292 0.176 20 0 BCADLO Cn1nccc1[C@H]1C[N@@H+](CCCO)CCO1 ZINC000933526715 640722692 /nfs/dbraw/zinc/72/26/92/640722692.db2.gz CGVDYNUGGQWHFD-LLVKDONJSA-N 1 2 225.292 0.176 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030279024 640725207 /nfs/dbraw/zinc/72/52/07/640725207.db2.gz DIMDAYQRBPDCJS-MRVPVSSYSA-N 1 2 234.246 0.088 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030286248 640729367 /nfs/dbraw/zinc/72/93/67/640729367.db2.gz MLZCTIRMNACLIL-CBAPKCEASA-N 1 2 248.273 0.477 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccncc2C)C1 ZINC001030284951 640729380 /nfs/dbraw/zinc/72/93/80/640729380.db2.gz XLBWHZNXAIGKHC-UHFFFAOYSA-N 1 2 249.314 0.450 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030283674 640729870 /nfs/dbraw/zinc/72/98/70/640729870.db2.gz FLRFRNKNVLUHTQ-UHFFFAOYSA-N 1 2 234.303 0.790 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccncc2C)C1 ZINC001030286392 640730061 /nfs/dbraw/zinc/73/00/61/640730061.db2.gz TZTKAVSHJJXFRN-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO CC[NH+]1CC(NC(=O)c2n[nH]cc2C)C1 ZINC001030288602 640733020 /nfs/dbraw/zinc/73/30/20/640733020.db2.gz FMEBNKQWKFUKJW-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC[C@@H](F)C1 ZINC001030298932 640738978 /nfs/dbraw/zinc/73/89/78/640738978.db2.gz RHQQAVCBRSLPKK-VHSXEESVSA-N 1 2 244.310 0.307 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(Cl)cnn2C)C1 ZINC001030320342 640758070 /nfs/dbraw/zinc/75/80/70/640758070.db2.gz TVJBMNVSNFJNCM-UHFFFAOYSA-N 1 2 242.710 0.507 20 0 BCADLO CC(C)COC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000157881829 640765740 /nfs/dbraw/zinc/76/57/40/640765740.db2.gz SDVHZQUUELLEGE-UHFFFAOYSA-N 1 2 242.319 0.383 20 0 BCADLO CC[N@H+](CCC(=O)NC)[C@@H](C)c1noc(C)n1 ZINC000933861953 640775425 /nfs/dbraw/zinc/77/54/25/640775425.db2.gz FRNSWILSJRZNRL-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CC[N@@H+](CCC(=O)NC)[C@@H](C)c1noc(C)n1 ZINC000933861953 640775426 /nfs/dbraw/zinc/77/54/26/640775426.db2.gz FRNSWILSJRZNRL-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO Nc1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933968272 640798027 /nfs/dbraw/zinc/79/80/27/640798027.db2.gz KHRYVLLMTNJDKT-NWDGAFQWSA-N 1 2 249.314 0.654 20 0 BCADLO Nc1ccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933968272 640798030 /nfs/dbraw/zinc/79/80/30/640798030.db2.gz KHRYVLLMTNJDKT-NWDGAFQWSA-N 1 2 249.314 0.654 20 0 BCADLO OCC[C@@H]([NH2+]Cc1c[nH]nn1)C1CCCC1 ZINC000934008917 640805499 /nfs/dbraw/zinc/80/54/99/640805499.db2.gz BDUGOOIDERSJAJ-LLVKDONJSA-N 1 2 224.308 0.836 20 0 BCADLO OCC[C@@H]([NH2+]Cc1cn[nH]n1)C1CCCC1 ZINC000934008917 640805503 /nfs/dbraw/zinc/80/55/03/640805503.db2.gz BDUGOOIDERSJAJ-LLVKDONJSA-N 1 2 224.308 0.836 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC001030381052 640807595 /nfs/dbraw/zinc/80/75/95/640807595.db2.gz DRUGZKAAGHIBQH-LLVKDONJSA-N 1 2 248.326 0.466 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001030378727 640807776 /nfs/dbraw/zinc/80/77/76/640807776.db2.gz DMZRKYISDYCTOE-UHFFFAOYSA-N 1 2 248.330 0.731 20 0 BCADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]1CO ZINC000934014969 640807815 /nfs/dbraw/zinc/80/78/15/640807815.db2.gz MABGVLNLRWCIMX-SNVBAGLBSA-N 1 2 249.376 0.656 20 0 BCADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]1CO ZINC000934014969 640807819 /nfs/dbraw/zinc/80/78/19/640807819.db2.gz MABGVLNLRWCIMX-SNVBAGLBSA-N 1 2 249.376 0.656 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@@H](CCO)C1CCCC1 ZINC000934011495 640808189 /nfs/dbraw/zinc/80/81/89/640808189.db2.gz MONLTZPRRVPUTQ-WDEREUQCSA-N 1 2 227.304 0.833 20 0 BCADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]1CO ZINC000934014968 640808786 /nfs/dbraw/zinc/80/87/86/640808786.db2.gz MABGVLNLRWCIMX-JTQLQIEISA-N 1 2 249.376 0.656 20 0 BCADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@H]1CO ZINC000934014968 640808787 /nfs/dbraw/zinc/80/87/87/640808787.db2.gz MABGVLNLRWCIMX-JTQLQIEISA-N 1 2 249.376 0.656 20 0 BCADLO CCCn1nccc1C(=O)NC1C[NH+](CC)C1 ZINC001030379913 640809106 /nfs/dbraw/zinc/80/91/06/640809106.db2.gz QEHVASOIJCTUJV-UHFFFAOYSA-N 1 2 236.319 0.727 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3n(n2)CCC3)C1 ZINC001030406932 640828464 /nfs/dbraw/zinc/82/84/64/640828464.db2.gz UCCHYCACBHDDRQ-UHFFFAOYSA-N 1 2 234.303 0.263 20 0 BCADLO CNC(=S)NCCCNc1cccc[nH+]1 ZINC000059863388 640835420 /nfs/dbraw/zinc/83/54/20/640835420.db2.gz HIRXYRPAWMPOSN-UHFFFAOYSA-N 1 2 224.333 0.978 20 0 BCADLO CNc1cc(N[C@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000228051344 640857744 /nfs/dbraw/zinc/85/77/44/640857744.db2.gz GELXXDJDLBHVKU-MRVPVSSYSA-N 1 2 237.307 0.843 20 0 BCADLO CNc1cc(N[C@H](C)C(=O)NC(C)C)[nH+]cn1 ZINC000228051344 640857747 /nfs/dbraw/zinc/85/77/47/640857747.db2.gz GELXXDJDLBHVKU-MRVPVSSYSA-N 1 2 237.307 0.843 20 0 BCADLO O=C(C[C@H]1C=CCCC1)NC1C[NH+](CCO)C1 ZINC001030510874 640890414 /nfs/dbraw/zinc/89/04/14/640890414.db2.gz DRGZJWURUSHEIU-NSHDSACASA-N 1 2 238.331 0.526 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCF)C2)CO1 ZINC001030557050 640910872 /nfs/dbraw/zinc/91/08/72/640910872.db2.gz JFJZHTJWWMWULP-VHSXEESVSA-N 1 2 244.310 0.571 20 0 BCADLO CNc1cc(N[C@H](C)C[S@@](C)=O)[nH+]cn1 ZINC000229090890 640921121 /nfs/dbraw/zinc/92/11/21/640921121.db2.gz FEIAJKNMKNOLLX-KWKYVRJSSA-N 1 2 228.321 0.697 20 0 BCADLO COC(=O)c1cc(C[NH2+]Cc2cnn[nH]2)c[nH]1 ZINC000598984934 640924117 /nfs/dbraw/zinc/92/41/17/640924117.db2.gz YCHVDWULAUFTHK-UHFFFAOYSA-N 1 2 235.247 0.209 20 0 BCADLO CCCc1n[nH]cc1C(=O)NC1C[NH+](CC)C1 ZINC001030596352 640943731 /nfs/dbraw/zinc/94/37/31/640943731.db2.gz SPMJMEJNXKPOPU-UHFFFAOYSA-N 1 2 236.319 0.796 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2cncn2C)C1 ZINC001030622891 640985665 /nfs/dbraw/zinc/98/56/65/640985665.db2.gz YRVOIKASPQBAIZ-UHFFFAOYSA-N 1 2 248.330 0.800 20 0 BCADLO Cc1ccc(CC(=O)NC2C[NH+](CCO)C2)cc1 ZINC001030628867 640999510 /nfs/dbraw/zinc/99/95/10/640999510.db2.gz ILHWEYGBZRHEJY-UHFFFAOYSA-N 1 2 248.326 0.330 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H](C)CO ZINC000230075059 641013067 /nfs/dbraw/zinc/01/30/67/641013067.db2.gz ALMNZXLKKHBMAP-VIFPVBQESA-N 1 2 223.338 0.122 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000230075059 641013069 /nfs/dbraw/zinc/01/30/69/641013069.db2.gz ALMNZXLKKHBMAP-VIFPVBQESA-N 1 2 223.338 0.122 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001030636029 641025220 /nfs/dbraw/zinc/02/52/20/641025220.db2.gz HJDWJSSGUOKOBW-CYBMUJFWSA-N 1 2 246.310 0.810 20 0 BCADLO CC(=O)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000062356256 641041798 /nfs/dbraw/zinc/04/17/98/641041798.db2.gz AHDGTDVACYRBQM-ZDUSSCGKSA-N 1 2 249.314 0.279 20 0 BCADLO COCC[NH2+]Cc1nc([C@H]2CCCOC2)no1 ZINC000087815900 641055506 /nfs/dbraw/zinc/05/55/06/641055506.db2.gz YAIWHGLBHDVHKH-VIFPVBQESA-N 1 2 241.291 0.700 20 0 BCADLO CNc1cc(NC[C@H](O)C2CC2)[nH+]cn1 ZINC000087829823 641062991 /nfs/dbraw/zinc/06/29/91/641062991.db2.gz BOQFFRDUDIFCSR-QMMMGPOBSA-N 1 2 208.265 0.701 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000934113355 641077444 /nfs/dbraw/zinc/07/74/44/641077444.db2.gz NSBGLWYGRPZVQK-BDAKNGLRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C)no1 ZINC000934113355 641077437 /nfs/dbraw/zinc/07/74/37/641077437.db2.gz NSBGLWYGRPZVQK-BDAKNGLRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CCS(=O)(=O)C(C)C ZINC000934117131 641081005 /nfs/dbraw/zinc/08/10/05/641081005.db2.gz ZHDYAFXUHMHQAD-WDEREUQCSA-N 1 2 249.376 0.919 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000934117131 641081009 /nfs/dbraw/zinc/08/10/09/641081009.db2.gz ZHDYAFXUHMHQAD-WDEREUQCSA-N 1 2 249.376 0.919 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NCC(F)F ZINC000289733328 641145843 /nfs/dbraw/zinc/14/58/43/641145843.db2.gz GIPMBGBVNWBVQT-UHFFFAOYSA-N 1 2 232.234 0.189 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NCC(F)F ZINC000289733328 641145853 /nfs/dbraw/zinc/14/58/53/641145853.db2.gz GIPMBGBVNWBVQT-UHFFFAOYSA-N 1 2 232.234 0.189 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297008 641156742 /nfs/dbraw/zinc/15/67/42/641156742.db2.gz UXPZNJVTCKRTRP-UHFFFAOYSA-N 1 2 237.307 0.146 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297008 641156741 /nfs/dbraw/zinc/15/67/41/641156741.db2.gz UXPZNJVTCKRTRP-UHFFFAOYSA-N 1 2 237.307 0.146 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000050513420 641163321 /nfs/dbraw/zinc/16/33/21/641163321.db2.gz PPTHWTAGAKBJHT-UHFFFAOYSA-N 1 2 239.250 0.599 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000932970694 641166701 /nfs/dbraw/zinc/16/67/01/641166701.db2.gz XUBLWWDYKUJABZ-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000932970694 641166704 /nfs/dbraw/zinc/16/67/04/641166704.db2.gz XUBLWWDYKUJABZ-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934571254 641202209 /nfs/dbraw/zinc/20/22/09/641202209.db2.gz QMVNUWXFHXBIRD-RKDXNWHRSA-N 1 2 219.256 0.344 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934571254 641202210 /nfs/dbraw/zinc/20/22/10/641202210.db2.gz QMVNUWXFHXBIRD-RKDXNWHRSA-N 1 2 219.256 0.344 20 0 BCADLO O=C1CCCN1CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934580105 641208320 /nfs/dbraw/zinc/20/83/20/641208320.db2.gz IRTXLJYFJQVYJB-UWVGGRQHSA-N 1 2 230.283 0.014 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934580105 641208324 /nfs/dbraw/zinc/20/83/24/641208324.db2.gz IRTXLJYFJQVYJB-UWVGGRQHSA-N 1 2 230.283 0.014 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000231880158 641211984 /nfs/dbraw/zinc/21/19/84/641211984.db2.gz CNSRRQGPSGMOHM-QMMMGPOBSA-N 1 2 237.307 0.797 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1cc(NC)nc[nH+]1 ZINC000231880158 641211989 /nfs/dbraw/zinc/21/19/89/641211989.db2.gz CNSRRQGPSGMOHM-QMMMGPOBSA-N 1 2 237.307 0.797 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000088001064 641226038 /nfs/dbraw/zinc/22/60/38/641226038.db2.gz KGBJXLPKGNNLKN-ZETCQYMHSA-N 1 2 220.232 0.778 20 0 BCADLO Cn1nnnc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934689672 641247788 /nfs/dbraw/zinc/24/77/88/641247788.db2.gz YPGLGOYQDFIWNY-LBPRGKRZSA-N 1 2 244.302 0.846 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1CCOC(F)F ZINC000934810491 641276612 /nfs/dbraw/zinc/27/66/12/641276612.db2.gz BPFWLPACTKUKDW-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1CCOC(F)F ZINC000934810491 641276621 /nfs/dbraw/zinc/27/66/21/641276621.db2.gz BPFWLPACTKUKDW-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)[C@@H](C)O)C(C)C ZINC000929464254 641326335 /nfs/dbraw/zinc/32/63/35/641326335.db2.gz MFXQZLMEONIOCC-NXEZZACHSA-N 1 2 233.308 0.002 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)[C@@H](C)O)C(C)C ZINC000929464254 641326340 /nfs/dbraw/zinc/32/63/40/641326340.db2.gz MFXQZLMEONIOCC-NXEZZACHSA-N 1 2 233.308 0.002 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCO[C@@H]2C)C1 ZINC001030731583 641327404 /nfs/dbraw/zinc/32/74/04/641327404.db2.gz DDKKKIGKLQYFRR-BXKDBHETSA-N 1 2 226.320 0.622 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2coc(OC)n2)C1 ZINC001030750579 641333359 /nfs/dbraw/zinc/33/33/59/641333359.db2.gz HRARAWBHEPOZHA-UHFFFAOYSA-N 1 2 239.275 0.507 20 0 BCADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000929513350 641341099 /nfs/dbraw/zinc/34/10/99/641341099.db2.gz CCBCDIIHXBOHGH-KOLCDFICSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000929513350 641341104 /nfs/dbraw/zinc/34/11/04/641341104.db2.gz CCBCDIIHXBOHGH-KOLCDFICSA-N 1 2 242.319 0.396 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)Cc2c[nH]nc21 ZINC000913584923 641348912 /nfs/dbraw/zinc/34/89/12/641348912.db2.gz PVLFBDFXRBZYGN-QMMMGPOBSA-N 1 2 245.286 0.821 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(OC)ccn2)C1 ZINC001030779118 641349093 /nfs/dbraw/zinc/34/90/93/641349093.db2.gz XVTZNVUUPFRNPY-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001030810189 641361696 /nfs/dbraw/zinc/36/16/96/641361696.db2.gz BXGPIJUZMFEWCK-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883557 641401109 /nfs/dbraw/zinc/40/11/09/641401109.db2.gz NMTMNAPJADUEHD-VIFPVBQESA-N 1 2 247.298 0.033 20 0 BCADLO Cc1nocc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030885848 641401259 /nfs/dbraw/zinc/40/12/59/641401259.db2.gz BOUHSRKZMZSNJP-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO CC[NH+]1CC(NC(=O)c2conc2C)C1 ZINC001030887137 641402507 /nfs/dbraw/zinc/40/25/07/641402507.db2.gz IKSOVZIRYYUGDS-UHFFFAOYSA-N 1 2 209.249 0.417 20 0 BCADLO CC1(C(=O)NC2C[NH+](CCCO)C2)CC=CC1 ZINC001030896057 641406983 /nfs/dbraw/zinc/40/69/83/641406983.db2.gz OMPTZSSSCCWPFM-UHFFFAOYSA-N 1 2 238.331 0.526 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487574 641417967 /nfs/dbraw/zinc/41/79/67/641417967.db2.gz DSPAFURJBFJGCC-IVZWLZJFSA-N 1 2 235.287 0.349 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030923942 641424668 /nfs/dbraw/zinc/42/46/68/641424668.db2.gz LUPZTEBLRJQAOA-CKYFFXLPSA-N 1 2 240.347 0.604 20 0 BCADLO CC(C)c1[nH+]ccn1CC(=O)Nc1c[nH]nn1 ZINC000935595820 641438921 /nfs/dbraw/zinc/43/89/21/641438921.db2.gz SUNBISNMQZOADQ-UHFFFAOYSA-N 1 2 234.263 0.763 20 0 BCADLO CC1(C)C[C@H](O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913762552 641469790 /nfs/dbraw/zinc/46/97/90/641469790.db2.gz YADQPGPLPVGJEV-JTQLQIEISA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913784590 641473859 /nfs/dbraw/zinc/47/38/59/641473859.db2.gz IIPATWONIMVUQQ-DTWKUNHWSA-N 1 2 225.292 0.618 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000913790312 641477143 /nfs/dbraw/zinc/47/71/43/641477143.db2.gz QKMNNPJHVJBBPV-DTORHVGOSA-N 1 2 221.260 0.057 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935925717 641503424 /nfs/dbraw/zinc/50/34/24/641503424.db2.gz WNGKHXMQMDEUPZ-JMJZKYOTSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCCC#N ZINC000030594112 641504092 /nfs/dbraw/zinc/50/40/92/641504092.db2.gz NEZLGVUSJYVDKY-GHMZBOCLSA-N 1 2 239.319 0.516 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCCC#N ZINC000030594112 641504093 /nfs/dbraw/zinc/50/40/93/641504093.db2.gz NEZLGVUSJYVDKY-GHMZBOCLSA-N 1 2 239.319 0.516 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc(C=O)n(C)c1 ZINC000936023957 641519689 /nfs/dbraw/zinc/51/96/89/641519689.db2.gz CMNVXEIDMMZEBM-UHFFFAOYSA-N 1 2 246.270 0.501 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1(n2cccn2)CC1 ZINC000936024423 641520191 /nfs/dbraw/zinc/52/01/91/641520191.db2.gz KQPHDIPZPJBMCU-UHFFFAOYSA-N 1 2 245.286 0.422 20 0 BCADLO COc1cc(C(=O)NCc2c[nH+]cn2C)ncn1 ZINC000936023887 641520206 /nfs/dbraw/zinc/52/02/06/641520206.db2.gz AGKPXSPOWAYEIB-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nccn3ccnc23)C1 ZINC001030974427 641549208 /nfs/dbraw/zinc/54/92/08/641549208.db2.gz FDOFQDXKSHWIHB-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO CC(C)C[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030982050 641562578 /nfs/dbraw/zinc/56/25/78/641562578.db2.gz KDRHECGAMIVZOP-ZYHUDNBSSA-N 1 2 240.347 0.461 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006709 641583219 /nfs/dbraw/zinc/58/32/19/641583219.db2.gz VWFOVHRKLDVHJV-GXSJLCMTSA-N 1 2 238.331 0.622 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006712 641584240 /nfs/dbraw/zinc/58/42/40/641584240.db2.gz VWFOVHRKLDVHJV-ONGXEEELSA-N 1 2 238.331 0.622 20 0 BCADLO CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000156263281 641603580 /nfs/dbraw/zinc/60/35/80/641603580.db2.gz IBUJHPBFTFBSOT-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000156263281 641603585 /nfs/dbraw/zinc/60/35/85/641603585.db2.gz IBUJHPBFTFBSOT-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CO[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000914406339 641662276 /nfs/dbraw/zinc/66/22/76/641662276.db2.gz AIGFHXBQEWCATJ-MGCOHNPYSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817963 641673670 /nfs/dbraw/zinc/67/36/70/641673670.db2.gz NHXPGAHVSZSBNA-NHCYSSNCSA-N 1 2 241.287 0.395 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817963 641673673 /nfs/dbraw/zinc/67/36/73/641673673.db2.gz NHXPGAHVSZSBNA-NHCYSSNCSA-N 1 2 241.287 0.395 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817960 641674156 /nfs/dbraw/zinc/67/41/56/641674156.db2.gz NHXPGAHVSZSBNA-HOSYDEDBSA-N 1 2 241.287 0.395 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817960 641674162 /nfs/dbraw/zinc/67/41/62/641674162.db2.gz NHXPGAHVSZSBNA-HOSYDEDBSA-N 1 2 241.287 0.395 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001031080505 641684969 /nfs/dbraw/zinc/68/49/69/641684969.db2.gz CFXAAQVXVDRRTK-WDEREUQCSA-N 1 2 208.305 0.853 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3nncn3c2)C1 ZINC001031096516 641699968 /nfs/dbraw/zinc/69/99/68/641699968.db2.gz RXHDCHTYDXFFRT-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO c1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)[nH]n1 ZINC000914433108 641701621 /nfs/dbraw/zinc/70/16/21/641701621.db2.gz KDZIAEZNRDDMOZ-MNOVXSKESA-N 1 2 207.277 0.924 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cnon2)C1 ZINC001031126189 641723189 /nfs/dbraw/zinc/72/31/89/641723189.db2.gz KOLNFHJUOJUYDK-ZETCQYMHSA-N 1 2 242.254 0.232 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2ccco2)C1 ZINC001031127990 641725000 /nfs/dbraw/zinc/72/50/00/641725000.db2.gz AQFKDBPXTPVBOK-VIFPVBQESA-N 1 2 238.287 0.003 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031147816 641737653 /nfs/dbraw/zinc/73/76/53/641737653.db2.gz ZGQNMRTUPWBBRV-MWLCHTKSSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)CCS(C)(=O)=O)O1 ZINC000188591151 641763104 /nfs/dbraw/zinc/76/31/04/641763104.db2.gz ZLMXUSPVAYUZCI-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO CCNC(=S)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914704556 641754510 /nfs/dbraw/zinc/75/45/10/641754510.db2.gz BAMIVHFNROUXEO-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)CCS(C)(=O)=O)O1 ZINC000188591151 641763103 /nfs/dbraw/zinc/76/31/03/641763103.db2.gz ZLMXUSPVAYUZCI-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO COC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075581633 641763294 /nfs/dbraw/zinc/76/32/94/641763294.db2.gz RTCOBBYXCJWYHD-UHFFFAOYSA-N 1 2 240.263 0.860 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)NCc1ccccn1 ZINC000075827957 641773565 /nfs/dbraw/zinc/77/35/65/641773565.db2.gz KUPVGLMCDBMJJB-UHFFFAOYSA-N 1 2 249.314 0.420 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)NCc1ccccn1 ZINC000075827957 641773571 /nfs/dbraw/zinc/77/35/71/641773571.db2.gz KUPVGLMCDBMJJB-UHFFFAOYSA-N 1 2 249.314 0.420 20 0 BCADLO CC(C)[C@]1(C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031176475 641775739 /nfs/dbraw/zinc/77/57/39/641775739.db2.gz AFDWTNBFSKQXOQ-AAEUAGOBSA-N 1 2 240.347 0.461 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001031192623 641795490 /nfs/dbraw/zinc/79/54/90/641795490.db2.gz DUJUMSCHIBXPPG-UHFFFAOYSA-N 1 2 234.303 0.721 20 0 BCADLO CCN1CC[N@H+](CC(OC)OC)C(C)(C)C1=O ZINC000189244533 641796037 /nfs/dbraw/zinc/79/60/37/641796037.db2.gz DEXWMBNPTPWFTE-UHFFFAOYSA-N 1 2 244.335 0.548 20 0 BCADLO CCN1CC[N@@H+](CC(OC)OC)C(C)(C)C1=O ZINC000189244533 641796043 /nfs/dbraw/zinc/79/60/43/641796043.db2.gz DEXWMBNPTPWFTE-UHFFFAOYSA-N 1 2 244.335 0.548 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001031220384 641827684 /nfs/dbraw/zinc/82/76/84/641827684.db2.gz VJUNQKSXEZRMJN-JQWIXIFHSA-N 1 2 224.304 0.233 20 0 BCADLO CC(C)=CC[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000949055412 641835396 /nfs/dbraw/zinc/83/53/96/641835396.db2.gz DEANOQGHBQNYPD-UHFFFAOYSA-N 1 2 249.318 0.529 20 0 BCADLO CCN(C(C)=O)C1C[NH+](CCn2cccn2)C1 ZINC000949543065 641842425 /nfs/dbraw/zinc/84/24/25/641842425.db2.gz UXEOQSCYPXGVDD-UHFFFAOYSA-N 1 2 236.319 0.436 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C)nc2Cl)C1 ZINC001031240730 641844268 /nfs/dbraw/zinc/84/42/68/641844268.db2.gz FQFAGVJBRDLXOG-UHFFFAOYSA-N 1 2 242.710 0.507 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000190239418 641852452 /nfs/dbraw/zinc/85/24/52/641852452.db2.gz GBEDCMHROZCOEG-GFCCVEGCSA-N 1 2 242.319 0.193 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000190239418 641852460 /nfs/dbraw/zinc/85/24/60/641852460.db2.gz GBEDCMHROZCOEG-GFCCVEGCSA-N 1 2 242.319 0.193 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001031248763 641858275 /nfs/dbraw/zinc/85/82/75/641858275.db2.gz NXDWSEIPPOWQKY-UHFFFAOYSA-N 1 2 248.330 0.343 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292803 641874209 /nfs/dbraw/zinc/87/42/09/641874209.db2.gz DIBOHGLOOAXAOT-MRVPVSSYSA-N 1 2 214.309 0.214 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031293386 641874484 /nfs/dbraw/zinc/87/44/84/641874484.db2.gz YMSJEHPQJZATJR-VIFPVBQESA-N 1 2 228.336 0.868 20 0 BCADLO CO[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000788050702 641883674 /nfs/dbraw/zinc/88/36/74/641883674.db2.gz UKMRJYFKHFYYSJ-VIFPVBQESA-N 1 2 226.276 0.931 20 0 BCADLO CCN(C(=O)c1ccc(C)nn1)C1C[NH+](CC)C1 ZINC000950052729 641885930 /nfs/dbraw/zinc/88/59/30/641885930.db2.gz ORVLXSRACCCGBX-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CCNC(=O)N1CC[NH+](CCC(C)=O)CC1 ZINC000153794845 641890945 /nfs/dbraw/zinc/89/09/45/641890945.db2.gz DIOAKLTZGVANHK-UHFFFAOYSA-N 1 2 227.308 0.313 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CF)C1 ZINC000916100590 641902418 /nfs/dbraw/zinc/90/24/18/641902418.db2.gz KAMFTTMPGSAKSW-MRVPVSSYSA-N 1 2 211.240 0.770 20 0 BCADLO CC[N@H+](CCOCC1CC1)CCS(C)(=O)=O ZINC000154196623 641979771 /nfs/dbraw/zinc/97/97/71/641979771.db2.gz NPFWCBVXRKHCBL-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO CC[N@@H+](CCOCC1CC1)CCS(C)(=O)=O ZINC000154196623 641979776 /nfs/dbraw/zinc/97/97/76/641979776.db2.gz NPFWCBVXRKHCBL-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO Cc1c[nH]cc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031382339 642041825 /nfs/dbraw/zinc/04/18/25/642041825.db2.gz QTDDIQDLRXKFCT-UHFFFAOYSA-N 1 2 237.303 0.120 20 0 BCADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1CO ZINC000923835318 642182711 /nfs/dbraw/zinc/18/27/11/642182711.db2.gz LXASCANKBXVQRG-MNOVXSKESA-N 1 2 249.314 0.580 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001031478550 642195667 /nfs/dbraw/zinc/19/56/67/642195667.db2.gz QDCXBZGQRNOXAP-LBPRGKRZSA-N 1 2 246.310 0.983 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2nonc2C)C1 ZINC001031479586 642197359 /nfs/dbraw/zinc/19/73/59/642197359.db2.gz JDOVDCGBZVGKOC-UHFFFAOYSA-N 1 2 238.291 0.592 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001031478943 642198509 /nfs/dbraw/zinc/19/85/09/642198509.db2.gz AWFUGHKXTOKZTC-UHFFFAOYSA-N 1 2 248.330 0.731 20 0 BCADLO CCn1nc(C)c(C(=O)NC2C[NH+](CC)C2)n1 ZINC001031488101 642201875 /nfs/dbraw/zinc/20/18/75/642201875.db2.gz DOJCSVABTGSCJZ-UHFFFAOYSA-N 1 2 237.307 0.040 20 0 BCADLO COc1cc(C[NH+]2CC(CNC(C)=O)C2)on1 ZINC001031505346 642237997 /nfs/dbraw/zinc/23/79/97/642237997.db2.gz OIXQVKQYEIKMDA-UHFFFAOYSA-N 1 2 239.275 0.251 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001031505184 642238251 /nfs/dbraw/zinc/23/82/51/642238251.db2.gz GMQICDCNHCPXCW-UHFFFAOYSA-N 1 2 234.303 0.353 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccncc1 ZINC001031514309 642245819 /nfs/dbraw/zinc/24/58/19/642245819.db2.gz KYLOTWBUBGWSCX-UHFFFAOYSA-N 1 2 237.278 0.713 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031526460 642274170 /nfs/dbraw/zinc/27/41/70/642274170.db2.gz AKSUSHDEXXDLHZ-PSASIEDQSA-N 1 2 214.284 0.660 20 0 BCADLO CCCCOC(=O)[C@@H](C)[NH+](CCO)CCO ZINC000154919339 642308293 /nfs/dbraw/zinc/30/82/93/642308293.db2.gz WDVSOMZCWIHEOZ-SNVBAGLBSA-N 1 2 233.308 0.005 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cnns1 ZINC001031563910 642309161 /nfs/dbraw/zinc/30/91/61/642309161.db2.gz DJJXUXBQXFMIEF-UHFFFAOYSA-N 1 2 244.295 0.169 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCN1C ZINC000307937695 642350632 /nfs/dbraw/zinc/35/06/32/642350632.db2.gz PNIWBOWVVFEPOC-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCN1C ZINC000307937695 642350637 /nfs/dbraw/zinc/35/06/37/642350637.db2.gz PNIWBOWVVFEPOC-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCc1cn[nH]c1 ZINC000933163775 642367192 /nfs/dbraw/zinc/36/71/92/642367192.db2.gz ILNFQDCZDLXDLH-YPMHNXCESA-N 1 2 249.314 0.980 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCc1cn[nH]c1 ZINC000933163775 642367195 /nfs/dbraw/zinc/36/71/95/642367195.db2.gz ILNFQDCZDLXDLH-YPMHNXCESA-N 1 2 249.314 0.980 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1n[nH]cc1C ZINC000933218930 642397779 /nfs/dbraw/zinc/39/77/79/642397779.db2.gz OOLVKUJUFUVXKP-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1n[nH]cc1C ZINC000933218930 642397785 /nfs/dbraw/zinc/39/77/85/642397785.db2.gz OOLVKUJUFUVXKP-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@H]1CN(C)CC[N@@H+]1C ZINC000919981525 642417281 /nfs/dbraw/zinc/41/72/81/642417281.db2.gz NEMVGNRXXGMORP-NXEZZACHSA-N 1 2 247.314 0.316 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@H]1CN(C)CC[N@H+]1C ZINC000919981525 642417287 /nfs/dbraw/zinc/41/72/87/642417287.db2.gz NEMVGNRXXGMORP-NXEZZACHSA-N 1 2 247.314 0.316 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919982274 642418049 /nfs/dbraw/zinc/41/80/49/642418049.db2.gz SBDHJACZNANCRK-WDEREUQCSA-N 1 2 242.367 0.282 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919982274 642418052 /nfs/dbraw/zinc/41/80/52/642418052.db2.gz SBDHJACZNANCRK-WDEREUQCSA-N 1 2 242.367 0.282 20 0 BCADLO CCn1cnc2c1CC[N@H+](CCOC)C2 ZINC000933253061 642421734 /nfs/dbraw/zinc/42/17/34/642421734.db2.gz BACCETORYSODAY-UHFFFAOYSA-N 1 2 209.293 0.908 20 0 BCADLO CCn1cnc2c1CC[N@@H+](CCOC)C2 ZINC000933253061 642421741 /nfs/dbraw/zinc/42/17/41/642421741.db2.gz BACCETORYSODAY-UHFFFAOYSA-N 1 2 209.293 0.908 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC[S@@](C)=O)C2 ZINC000933255670 642425396 /nfs/dbraw/zinc/42/53/96/642425396.db2.gz OZRRKYGSBPUWSW-MRXNPFEDSA-N 1 2 241.360 0.640 20 0 BCADLO CC[C@H](C(N)=O)N1CCc2c([nH+]cn2CC)C1 ZINC000933261865 642428749 /nfs/dbraw/zinc/42/87/49/642428749.db2.gz IGINPOBTNJSSDL-SNVBAGLBSA-N 1 2 236.319 0.525 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1 ZINC000921413289 642613271 /nfs/dbraw/zinc/61/32/71/642613271.db2.gz IXZMVDXSDPKFGI-SECBINFHSA-N 1 2 241.316 0.064 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1 ZINC000921413289 642613275 /nfs/dbraw/zinc/61/32/75/642613275.db2.gz IXZMVDXSDPKFGI-SECBINFHSA-N 1 2 241.316 0.064 20 0 BCADLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)o1 ZINC000921413878 642616011 /nfs/dbraw/zinc/61/60/11/642616011.db2.gz WSMCRPSAKNZRJM-SECBINFHSA-N 1 2 244.316 0.570 20 0 BCADLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)o1 ZINC000921413878 642616015 /nfs/dbraw/zinc/61/60/15/642616015.db2.gz WSMCRPSAKNZRJM-SECBINFHSA-N 1 2 244.316 0.570 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccc[nH]1 ZINC001010166103 642852262 /nfs/dbraw/zinc/85/22/62/642852262.db2.gz HWGFSAYAIPSVMA-SECBINFHSA-N 1 2 225.267 0.788 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccc[nH]1 ZINC001010166103 642852256 /nfs/dbraw/zinc/85/22/56/642852256.db2.gz HWGFSAYAIPSVMA-SECBINFHSA-N 1 2 225.267 0.788 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)[nH]n1 ZINC001010343441 642859532 /nfs/dbraw/zinc/85/95/32/642859532.db2.gz VTQYJOYAQDOCLO-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)[nH]n1 ZINC001010343441 642859537 /nfs/dbraw/zinc/85/95/37/642859537.db2.gz VTQYJOYAQDOCLO-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)n1 ZINC001016247676 642953108 /nfs/dbraw/zinc/95/31/08/642953108.db2.gz XITVWOIUJIYSBM-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)n1 ZINC001016247676 642953119 /nfs/dbraw/zinc/95/31/19/642953119.db2.gz XITVWOIUJIYSBM-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001018379242 642988028 /nfs/dbraw/zinc/98/80/28/642988028.db2.gz WCDZXJOFSGOAJA-VIFPVBQESA-N 1 2 238.291 0.479 20 0 BCADLO C[C@H]1OCC[N@H+](CC2OCCO2)[C@@H]1C ZINC000182471956 643024633 /nfs/dbraw/zinc/02/46/33/643024633.db2.gz JANBVYRZGYTDDW-RKDXNWHRSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@H]1OCC[N@@H+](CC2OCCO2)[C@@H]1C ZINC000182471956 643024639 /nfs/dbraw/zinc/02/46/39/643024639.db2.gz JANBVYRZGYTDDW-RKDXNWHRSA-N 1 2 201.266 0.469 20 0 BCADLO CC(C)C[C@H]1COCC[N@@H+]1Cn1cnnc1 ZINC000182586907 643040102 /nfs/dbraw/zinc/04/01/02/643040102.db2.gz CKTJCVLEEJTSIH-NSHDSACASA-N 1 2 224.308 0.983 20 0 BCADLO CC(C)C[C@H]1COCC[N@H+]1Cn1cnnc1 ZINC000182586907 643040109 /nfs/dbraw/zinc/04/01/09/643040109.db2.gz CKTJCVLEEJTSIH-NSHDSACASA-N 1 2 224.308 0.983 20 0 BCADLO CNC(=O)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000285124117 643065136 /nfs/dbraw/zinc/06/51/36/643065136.db2.gz RZQRTKQITPHXPI-UHFFFAOYSA-N 1 2 239.344 0.938 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000070966867 643088537 /nfs/dbraw/zinc/08/85/37/643088537.db2.gz VMONTJKZOKNYCV-IVZWLZJFSA-N 1 2 215.293 0.953 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCO[C@H](C)CC1 ZINC000932349300 643165504 /nfs/dbraw/zinc/16/55/04/643165504.db2.gz WMGSNARDHHNJIW-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCO[C@H](C)CC1 ZINC000932349300 643165508 /nfs/dbraw/zinc/16/55/08/643165508.db2.gz WMGSNARDHHNJIW-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000033567371 643270477 /nfs/dbraw/zinc/27/04/77/643270477.db2.gz QVZIWPVESUIQNS-JTQLQIEISA-N 1 2 246.310 0.879 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000033567371 643270484 /nfs/dbraw/zinc/27/04/84/643270484.db2.gz QVZIWPVESUIQNS-JTQLQIEISA-N 1 2 246.310 0.879 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032235615 643381088 /nfs/dbraw/zinc/38/10/88/643381088.db2.gz OYMKWZOHDDLFSG-STQMWFEESA-N 1 2 231.299 0.887 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032235615 643381094 /nfs/dbraw/zinc/38/10/94/643381094.db2.gz OYMKWZOHDDLFSG-STQMWFEESA-N 1 2 231.299 0.887 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000932643934 643385993 /nfs/dbraw/zinc/38/59/93/643385993.db2.gz NBNCSFXYJBVXRU-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000932643934 643385999 /nfs/dbraw/zinc/38/59/99/643385999.db2.gz NBNCSFXYJBVXRU-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO Cc1nonc1C(=O)NCCn1cc[nH+]c1 ZINC000733911256 643480188 /nfs/dbraw/zinc/48/01/88/643480188.db2.gz BKPNKNQEWMKQQH-UHFFFAOYSA-N 1 2 221.220 0.005 20 0 BCADLO C[C@H](NC(=O)c1cnon1)C1C[NH+](CCF)C1 ZINC000970622180 643487101 /nfs/dbraw/zinc/48/71/01/643487101.db2.gz IQEBRTKMFSTIPF-ZETCQYMHSA-N 1 2 242.254 0.089 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000735363928 643538559 /nfs/dbraw/zinc/53/85/59/643538559.db2.gz UXLOGOPFVSPKQA-VIFPVBQESA-N 1 2 238.291 0.390 20 0 BCADLO c1nn[nH]c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000735363928 643538564 /nfs/dbraw/zinc/53/85/64/643538564.db2.gz UXLOGOPFVSPKQA-VIFPVBQESA-N 1 2 238.291 0.390 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000735363928 643538567 /nfs/dbraw/zinc/53/85/67/643538567.db2.gz UXLOGOPFVSPKQA-VIFPVBQESA-N 1 2 238.291 0.390 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000735363928 643538572 /nfs/dbraw/zinc/53/85/72/643538572.db2.gz UXLOGOPFVSPKQA-VIFPVBQESA-N 1 2 238.291 0.390 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000234553843 643575751 /nfs/dbraw/zinc/57/57/51/643575751.db2.gz XVRRBUXQSSZMGM-ZJUUUORDSA-N 1 2 213.277 0.299 20 0 BCADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC000970916677 643610702 /nfs/dbraw/zinc/61/07/02/643610702.db2.gz TUWKIEKGLSOUHN-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC000970916677 643610707 /nfs/dbraw/zinc/61/07/07/643610707.db2.gz TUWKIEKGLSOUHN-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1nonc1C[NH+]1CCC(C)(O)CC1 ZINC000087781223 643674506 /nfs/dbraw/zinc/67/45/06/643674506.db2.gz RXULGCMDWULYPS-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO COC(=O)CC(C)(C)[NH2+]Cc1ccn[nH]1 ZINC000237129331 643694984 /nfs/dbraw/zinc/69/49/84/643694984.db2.gz HACMQEUTIJVJHC-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000160598771 643697580 /nfs/dbraw/zinc/69/75/80/643697580.db2.gz CCCCOWHYONFZOP-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000160598771 643697584 /nfs/dbraw/zinc/69/75/84/643697584.db2.gz CCCCOWHYONFZOP-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO COCc1cc(C[NH2+]CC2OCCCO2)no1 ZINC000922278531 643946232 /nfs/dbraw/zinc/94/62/32/643946232.db2.gz APCCGTCIVZPEFT-UHFFFAOYSA-N 1 2 242.275 0.674 20 0 BCADLO C[C@H](CC(=O)N1CC=C[C@H]1CO)n1cc[nH+]c1 ZINC000922283382 643952544 /nfs/dbraw/zinc/95/25/44/643952544.db2.gz YVXRZOWRAATNQR-MNOVXSKESA-N 1 2 235.287 0.594 20 0 BCADLO Nc1[nH+]cccc1COC(=O)CN1CCCC1=O ZINC000922303720 643963275 /nfs/dbraw/zinc/96/32/75/643963275.db2.gz WMOILROLEIZFOI-UHFFFAOYSA-N 1 2 249.270 0.329 20 0 BCADLO CN1C[C@H](C(=O)OCc2ccc(N)[nH+]c2)CC1=O ZINC000922324311 643969641 /nfs/dbraw/zinc/96/96/41/643969641.db2.gz MKZZWRLHDDUYQY-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO COC/C(C)=C\C[NH+]1CCN(C(=O)OC)CC1 ZINC000929299064 643983581 /nfs/dbraw/zinc/98/35/81/643983581.db2.gz VKNJWYAHSWNVJT-WCIBSUBMSA-N 1 2 242.319 0.963 20 0 BCADLO COC[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922416288 643990608 /nfs/dbraw/zinc/99/06/08/643990608.db2.gz TUDCZNVTKRWAGS-QMMMGPOBSA-N 1 2 224.260 0.990 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC[C@@H]1O ZINC000922490034 644002041 /nfs/dbraw/zinc/00/20/41/644002041.db2.gz KXAGVJSHEBAFTB-ZJUUUORDSA-N 1 2 236.271 0.868 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOC2CC2)C1 ZINC000922493954 644006482 /nfs/dbraw/zinc/00/64/82/644006482.db2.gz WHKJLNMNTAIEKR-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCOC2CC2)C1 ZINC000922493954 644006485 /nfs/dbraw/zinc/00/64/85/644006485.db2.gz WHKJLNMNTAIEKR-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CC[S@](=O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922652834 644058747 /nfs/dbraw/zinc/05/87/47/644058747.db2.gz RTXWHZMWQFJWDP-INIZCTEOSA-N 1 2 242.300 0.476 20 0 BCADLO COC/C=C/C(=O)OCc1ccc(N)[nH+]c1 ZINC000922668655 644064351 /nfs/dbraw/zinc/06/43/51/644064351.db2.gz ATXVBJLIZHVXQP-NSCUHMNNSA-N 1 2 222.244 0.910 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCCC(=O)N1 ZINC000922702769 644072882 /nfs/dbraw/zinc/07/28/82/644072882.db2.gz QUCAHVMTNFQLCH-SECBINFHSA-N 1 2 249.270 0.376 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000822156659 644155454 /nfs/dbraw/zinc/15/54/54/644155454.db2.gz VPNYYYYXDMMBAD-ZJUUUORDSA-N 1 2 236.275 0.553 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H](C)O ZINC000192853123 644188957 /nfs/dbraw/zinc/18/89/57/644188957.db2.gz BSERUWHWZGPHJC-XKSSXDPKSA-N 1 2 215.293 0.687 20 0 BCADLO Cc1ccccc1CC(N)=[NH+]OCC(N)=O ZINC000080291888 644245221 /nfs/dbraw/zinc/24/52/21/644245221.db2.gz KWQOROWBYHTLEL-UHFFFAOYSA-N 1 2 221.260 0.312 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)Cc1ccccc1C ZINC000080291901 644245595 /nfs/dbraw/zinc/24/55/95/644245595.db2.gz DBNONPGCTLCSID-UHFFFAOYSA-N 1 2 249.314 0.962 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC3(CCCC3)C2)n1 ZINC000194438935 644319405 /nfs/dbraw/zinc/31/94/05/644319405.db2.gz FPHYUMNZLVHTPG-UHFFFAOYSA-N 1 2 221.308 0.976 20 0 BCADLO Cn1nnc(C[N@H+]2CCC3(CCCC3)C2)n1 ZINC000194438935 644319409 /nfs/dbraw/zinc/31/94/09/644319409.db2.gz FPHYUMNZLVHTPG-UHFFFAOYSA-N 1 2 221.308 0.976 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540591 644443424 /nfs/dbraw/zinc/44/34/24/644443424.db2.gz VUHXMHSKLHRUET-RCNKOFRFSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540591 644443427 /nfs/dbraw/zinc/44/34/27/644443427.db2.gz VUHXMHSKLHRUET-RCNKOFRFSA-N 1 2 225.288 0.969 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C=C1CCC1 ZINC000087259565 644485873 /nfs/dbraw/zinc/48/58/73/644485873.db2.gz DDSIXRSSXFEUSF-UHFFFAOYSA-N 1 2 238.331 0.887 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000946931002 644526741 /nfs/dbraw/zinc/52/67/41/644526741.db2.gz AJCRPUPBECOZPX-CMPLNLGQSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000946931002 644526747 /nfs/dbraw/zinc/52/67/47/644526747.db2.gz AJCRPUPBECOZPX-CMPLNLGQSA-N 1 2 248.330 0.966 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@@H]1C ZINC000245545938 644530107 /nfs/dbraw/zinc/53/01/07/644530107.db2.gz VXSKKEKRSLFXEB-HBNTYKKESA-N 1 2 227.304 0.906 20 0 BCADLO CC[C@H](C)N(OC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000747619871 644584537 /nfs/dbraw/zinc/58/45/37/644584537.db2.gz OAQRTIFFQXJBGE-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H](C)N(OC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000747619871 644584546 /nfs/dbraw/zinc/58/45/46/644584546.db2.gz OAQRTIFFQXJBGE-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000247304045 644632323 /nfs/dbraw/zinc/63/23/23/644632323.db2.gz VMHNVOZPNOIBTD-IUCAKERBSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000247304045 644632326 /nfs/dbraw/zinc/63/23/26/644632326.db2.gz VMHNVOZPNOIBTD-IUCAKERBSA-N 1 2 201.266 0.469 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000092068453 644645501 /nfs/dbraw/zinc/64/55/01/644645501.db2.gz DUNMHOLPQLDJIL-SNVBAGLBSA-N 1 2 244.316 0.403 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000092068453 644645509 /nfs/dbraw/zinc/64/55/09/644645509.db2.gz DUNMHOLPQLDJIL-SNVBAGLBSA-N 1 2 244.316 0.403 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCOC1 ZINC000771186464 644685947 /nfs/dbraw/zinc/68/59/47/644685947.db2.gz SYJYJFWSNFFROT-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000093453903 644690965 /nfs/dbraw/zinc/69/09/65/644690965.db2.gz FHCULBCNVITONO-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO C[N@H+](C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000248877074 644700711 /nfs/dbraw/zinc/70/07/11/644700711.db2.gz JSTQCFYUERDQCD-QWRGUYRKSA-N 1 2 245.344 0.798 20 0 BCADLO C[N@@H+](C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000248877074 644700719 /nfs/dbraw/zinc/70/07/19/644700719.db2.gz JSTQCFYUERDQCD-QWRGUYRKSA-N 1 2 245.344 0.798 20 0 BCADLO CC(C)COC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248897217 644704629 /nfs/dbraw/zinc/70/46/29/644704629.db2.gz GQMQKTAHHJHFHD-GHMZBOCLSA-N 1 2 247.335 0.249 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248897217 644704636 /nfs/dbraw/zinc/70/46/36/644704636.db2.gz GQMQKTAHHJHFHD-GHMZBOCLSA-N 1 2 247.335 0.249 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000249600177 644729736 /nfs/dbraw/zinc/72/97/36/644729736.db2.gz XXVDVKUZSDQNAC-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000249600177 644729740 /nfs/dbraw/zinc/72/97/40/644729740.db2.gz XXVDVKUZSDQNAC-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO CCN(C(=O)c1nonc1C)C1C[NH+](CC)C1 ZINC000957461167 644731055 /nfs/dbraw/zinc/73/10/55/644731055.db2.gz DNLHZQRSSPUPLR-UHFFFAOYSA-N 1 2 238.291 0.544 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782625356 644743845 /nfs/dbraw/zinc/74/38/45/644743845.db2.gz LGZAECNCJREUBX-CMPLNLGQSA-N 1 2 221.304 0.717 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782625356 644743846 /nfs/dbraw/zinc/74/38/46/644743846.db2.gz LGZAECNCJREUBX-CMPLNLGQSA-N 1 2 221.304 0.717 20 0 BCADLO Cc1c(C(=O)OCCc2c[nH+]cn2C)nnn1C ZINC000793239810 644801390 /nfs/dbraw/zinc/80/13/90/644801390.db2.gz VAMIZLLBQZYHTC-UHFFFAOYSA-N 1 2 249.274 0.257 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cnccn1 ZINC000793238683 644802135 /nfs/dbraw/zinc/80/21/35/644802135.db2.gz PVZOUNPYSCSTAE-UHFFFAOYSA-N 1 2 232.243 0.610 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C[C@@H](C)CC1=O ZINC000840083863 644858152 /nfs/dbraw/zinc/85/81/52/644858152.db2.gz PLKHXBRJNGIOQB-VHSXEESVSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C[C@@H](C)CC1=O ZINC000840083863 644858156 /nfs/dbraw/zinc/85/81/56/644858156.db2.gz PLKHXBRJNGIOQB-VHSXEESVSA-N 1 2 212.293 0.533 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nn1ccccc1=O ZINC000807198917 644862408 /nfs/dbraw/zinc/86/24/08/644862408.db2.gz PNESQESFAHAKPT-UHFFFAOYSA-N 1 2 232.243 0.274 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nonc1C ZINC000304268429 644883570 /nfs/dbraw/zinc/88/35/70/644883570.db2.gz VFXOGXZZYOZQLT-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nonc1C ZINC000304268429 644883574 /nfs/dbraw/zinc/88/35/74/644883574.db2.gz VFXOGXZZYOZQLT-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO Cc1nc(NC[C@H](O)CC(C)C)nc(N)[nH+]1 ZINC000304544898 644915787 /nfs/dbraw/zinc/91/57/87/644915787.db2.gz WMKLHPJAVQISFI-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)CC(C)C)[nH+]1 ZINC000304544898 644915793 /nfs/dbraw/zinc/91/57/93/644915793.db2.gz WMKLHPJAVQISFI-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO OC[C@]12C[C@H]1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000840290121 644940141 /nfs/dbraw/zinc/94/01/41/644940141.db2.gz BQXLJKHDCQFBJU-TVQRCGJNSA-N 1 2 246.314 0.870 20 0 BCADLO OC[C@]12C[C@H]1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000840290121 644940148 /nfs/dbraw/zinc/94/01/48/644940148.db2.gz BQXLJKHDCQFBJU-TVQRCGJNSA-N 1 2 246.314 0.870 20 0 BCADLO CC1(C)C[C@H](O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000827670449 645082754 /nfs/dbraw/zinc/08/27/54/645082754.db2.gz MWIIVWLZCTVAGL-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccncc2F)CC1 ZINC000827867773 645088457 /nfs/dbraw/zinc/08/84/57/645088457.db2.gz PFNMIFGIOZSASM-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccncc2F)CC1 ZINC000827867773 645088459 /nfs/dbraw/zinc/08/84/59/645088459.db2.gz PFNMIFGIOZSASM-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO C[S@](=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000827965292 645089719 /nfs/dbraw/zinc/08/97/19/645089719.db2.gz WCADLDAMXQDJEK-RWEMILLDSA-N 1 2 203.307 0.228 20 0 BCADLO C[S@](=O)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000827965292 645089726 /nfs/dbraw/zinc/08/97/26/645089726.db2.gz WCADLDAMXQDJEK-RWEMILLDSA-N 1 2 203.307 0.228 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000828103393 645096325 /nfs/dbraw/zinc/09/63/25/645096325.db2.gz KUHFOMVARKHYHM-CQSZACIVSA-N 1 2 213.306 0.146 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000828103393 645096327 /nfs/dbraw/zinc/09/63/27/645096327.db2.gz KUHFOMVARKHYHM-CQSZACIVSA-N 1 2 213.306 0.146 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2NC(=O)O[C@H]2C)cc[nH+]1 ZINC000841393812 645210203 /nfs/dbraw/zinc/21/02/03/645210203.db2.gz SJWGIIJPPORNMA-IONNQARKSA-N 1 2 235.243 0.247 20 0 BCADLO CCN1C[C@H]([NH2+][C@@H]2C[C@@H](C)n3ncnc32)CC1=O ZINC000926524362 645255817 /nfs/dbraw/zinc/25/58/17/645255817.db2.gz DRBJXOQZZDHUML-OPRDCNLKSA-N 1 2 249.318 0.494 20 0 BCADLO CCN1C[C@@H]([NH2+][C@@H](C)c2nonc2C)CC1=O ZINC000926529860 645257471 /nfs/dbraw/zinc/25/74/71/645257471.db2.gz YVWQYLHSVGJMFI-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926577466 645294412 /nfs/dbraw/zinc/29/44/12/645294412.db2.gz YPBDDFJTGBKGNS-BKDNQFJXSA-N 1 2 242.275 0.231 20 0 BCADLO CCN1CC[C@H]([NH2+][C@@H](C)c2cnn(C)n2)C1 ZINC000926593611 645294458 /nfs/dbraw/zinc/29/44/58/645294458.db2.gz CSMMHUCDLGXZCX-UWVGGRQHSA-N 1 2 223.324 0.560 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ncco1 ZINC000926615735 645316127 /nfs/dbraw/zinc/31/61/27/645316127.db2.gz NJWWEDYVHNAGFW-JGVFFNPUSA-N 1 2 237.259 0.473 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)[C@@H](CC)CO1 ZINC000844385248 645323698 /nfs/dbraw/zinc/32/36/98/645323698.db2.gz HTXOFUHYQORKIC-WDEREUQCSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)[C@@H](CC)CO1 ZINC000844385248 645323705 /nfs/dbraw/zinc/32/37/05/645323705.db2.gz HTXOFUHYQORKIC-WDEREUQCSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)[C@@H](CC)CO1 ZINC000844385247 645325773 /nfs/dbraw/zinc/32/57/73/645325773.db2.gz HTXOFUHYQORKIC-QWRGUYRKSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)[C@@H](CC)CO1 ZINC000844385247 645325778 /nfs/dbraw/zinc/32/57/78/645325778.db2.gz HTXOFUHYQORKIC-QWRGUYRKSA-N 1 2 244.335 0.896 20 0 BCADLO COCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845445813 645360783 /nfs/dbraw/zinc/36/07/83/645360783.db2.gz GIOXWSKGUNGKFI-UHFFFAOYSA-N 1 2 238.287 0.952 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)C(C)(C)CO)[nH]1 ZINC000926694105 645363827 /nfs/dbraw/zinc/36/38/27/645363827.db2.gz PMOQCECBRBYJFZ-QMMMGPOBSA-N 1 2 242.323 0.448 20 0 BCADLO CCN1C[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)OC1=O ZINC000846763680 645406833 /nfs/dbraw/zinc/40/68/33/645406833.db2.gz YNJOXNKYKLLFGU-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)OC1=O ZINC000846763680 645406839 /nfs/dbraw/zinc/40/68/39/645406839.db2.gz YNJOXNKYKLLFGU-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO CNC(=O)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851795792 645469270 /nfs/dbraw/zinc/46/92/70/645469270.db2.gz LHOFYEFWMOZUDK-UHFFFAOYSA-N 1 2 238.291 0.418 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@@H+]1C)c1cnn(C)n1 ZINC000926894407 645479151 /nfs/dbraw/zinc/47/91/51/645479151.db2.gz MJYIJOHFIPERGV-RKDXNWHRSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@H+]1C)c1cnn(C)n1 ZINC000926894407 645479155 /nfs/dbraw/zinc/47/91/55/645479155.db2.gz MJYIJOHFIPERGV-RKDXNWHRSA-N 1 2 209.297 0.170 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@H]1CC[N@@H+]1C ZINC000926894738 645480380 /nfs/dbraw/zinc/48/03/80/645480380.db2.gz PPINHVDPJGESLZ-IONNQARKSA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@H]1CC[N@H+]1C ZINC000926894738 645480384 /nfs/dbraw/zinc/48/03/84/645480384.db2.gz PPINHVDPJGESLZ-IONNQARKSA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nc(N2CC[C@H](N3CCOC3=O)C2)cc[nH+]1 ZINC000853810397 645500266 /nfs/dbraw/zinc/50/02/66/645500266.db2.gz WOCLLHJWCURINO-JTQLQIEISA-N 1 2 248.286 0.816 20 0 BCADLO CO[C@@H]([C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854850866 645514490 /nfs/dbraw/zinc/51/44/90/645514490.db2.gz NMKJWWGAZXCWBE-PELKAZGASA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@@H]([C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854850869 645514542 /nfs/dbraw/zinc/51/45/42/645514542.db2.gz NMKJWWGAZXCWBE-UFBFGSQYSA-N 1 2 237.303 0.882 20 0 BCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000857429182 645554737 /nfs/dbraw/zinc/55/47/37/645554737.db2.gz UHKCGWXORWWNJH-UHFFFAOYSA-N 1 2 242.710 0.461 20 0 BCADLO Cc1cc(CC(=O)NCc2ccc(N)[nH+]c2)no1 ZINC000927777515 645654224 /nfs/dbraw/zinc/65/42/24/645654224.db2.gz VGFMQKWIGYRCPW-UHFFFAOYSA-N 1 2 246.270 0.819 20 0 BCADLO COC[C@@]1(C)C[N@H+](CC2OCCO2)CCO1 ZINC000860199252 645687729 /nfs/dbraw/zinc/68/77/29/645687729.db2.gz GZHOJBYJGZVIBG-LLVKDONJSA-N 1 2 231.292 0.097 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CC2OCCO2)CCO1 ZINC000860199252 645687737 /nfs/dbraw/zinc/68/77/37/645687737.db2.gz GZHOJBYJGZVIBG-LLVKDONJSA-N 1 2 231.292 0.097 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928058741 645699724 /nfs/dbraw/zinc/69/97/24/645699724.db2.gz FLKNCNQRXWZXIW-PWSUYJOCSA-N 1 2 235.287 0.636 20 0 BCADLO COC[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869439566 645743196 /nfs/dbraw/zinc/74/31/96/645743196.db2.gz PTICLFXCFFMMAK-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CCOC(=O)c1cc(C[NH2+]CCF)on1 ZINC000877496923 645799693 /nfs/dbraw/zinc/79/96/93/645799693.db2.gz YYGIAXIJOXTRDH-UHFFFAOYSA-N 1 2 216.212 0.910 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000928543916 645800863 /nfs/dbraw/zinc/80/08/63/645800863.db2.gz NRTITYBJLVNODJ-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)C2CC2)CC1 ZINC000928556416 645812494 /nfs/dbraw/zinc/81/24/94/645812494.db2.gz TUDHSRSOFUSKPP-JTQLQIEISA-N 1 2 236.315 0.566 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)C2CC2)CC1 ZINC000928556416 645812495 /nfs/dbraw/zinc/81/24/95/645812495.db2.gz TUDHSRSOFUSKPP-JTQLQIEISA-N 1 2 236.315 0.566 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C=O)[nH]1 ZINC000928562097 645819883 /nfs/dbraw/zinc/81/98/83/645819883.db2.gz DQUKUVSEYIUISR-SECBINFHSA-N 1 2 221.260 0.261 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C=O)[nH]1 ZINC000928562097 645819885 /nfs/dbraw/zinc/81/98/85/645819885.db2.gz DQUKUVSEYIUISR-SECBINFHSA-N 1 2 221.260 0.261 20 0 BCADLO C[N@H+](CCOCC1CC1)[C@H]1CCOC1=O ZINC000130961559 645848085 /nfs/dbraw/zinc/84/80/85/645848085.db2.gz PHJYVHZHAZOQBA-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO C[N@@H+](CCOCC1CC1)[C@H]1CCOC1=O ZINC000130961559 645848086 /nfs/dbraw/zinc/84/80/86/645848086.db2.gz PHJYVHZHAZOQBA-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CSC ZINC000928637433 645853288 /nfs/dbraw/zinc/85/32/88/645853288.db2.gz ZUPAVFYGKVWLIG-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ncn(C)n2)C1 ZINC000886559940 645889062 /nfs/dbraw/zinc/88/90/62/645889062.db2.gz JLSLCHLVVRPVFU-RKDXNWHRSA-N 1 2 238.291 0.246 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCn2cccc2C1 ZINC000928961575 645916156 /nfs/dbraw/zinc/91/61/56/645916156.db2.gz UWVLQEKFBKXIGS-UHFFFAOYSA-N 1 2 244.298 0.807 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(C3CCC3)c2)CC1 ZINC000929101270 645940040 /nfs/dbraw/zinc/94/00/40/645940040.db2.gz UUMCEFWPDXJOPJ-UHFFFAOYSA-N 1 2 248.330 0.996 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000923998097 645968091 /nfs/dbraw/zinc/96/80/91/645968091.db2.gz PQLAVBKMFBNGGW-AOOOYVTPSA-N 1 2 237.328 0.705 20 0 BCADLO CCNC(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000035142053 645976890 /nfs/dbraw/zinc/97/68/90/645976890.db2.gz WKOGPFLPGIGNSL-UHFFFAOYSA-N 1 2 230.699 0.299 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cc(=O)cc[nH]1 ZINC000929157960 645979472 /nfs/dbraw/zinc/97/94/72/645979472.db2.gz YTIDZOBUDDHHHW-UHFFFAOYSA-N 1 2 246.270 0.392 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(Cc2cn[nH]c2)no1 ZINC000924136988 645994638 /nfs/dbraw/zinc/99/46/38/645994638.db2.gz DNIWBGAJYPGUBO-UHFFFAOYSA-N 1 2 244.258 0.708 20 0 BCADLO C[N@H+](CCOC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929203271 646003700 /nfs/dbraw/zinc/00/37/00/646003700.db2.gz HPPPYEWLGFJEKN-SECBINFHSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](CCOC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929203271 646003706 /nfs/dbraw/zinc/00/37/06/646003706.db2.gz HPPPYEWLGFJEKN-SECBINFHSA-N 1 2 233.333 0.284 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000929231236 646024445 /nfs/dbraw/zinc/02/44/45/646024445.db2.gz GZIKWVVIDBUZRY-PCYYEKQGSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000929231236 646024448 /nfs/dbraw/zinc/02/44/48/646024448.db2.gz GZIKWVVIDBUZRY-PCYYEKQGSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCOC[C@@H]1C ZINC000929251953 646031378 /nfs/dbraw/zinc/03/13/78/646031378.db2.gz HPBXHUNDCHDZDJ-ZKXNXJMVSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCOC[C@@H]1C ZINC000929251953 646031385 /nfs/dbraw/zinc/03/13/85/646031385.db2.gz HPBXHUNDCHDZDJ-ZKXNXJMVSA-N 1 2 213.277 0.826 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H](O)[C@H](C)O)no1 ZINC000929256284 646034362 /nfs/dbraw/zinc/03/43/62/646034362.db2.gz AJVUDFAWLDITEF-WPRPVWTQSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H](O)[C@H](C)O)no1 ZINC000929256284 646034368 /nfs/dbraw/zinc/03/43/68/646034368.db2.gz AJVUDFAWLDITEF-WPRPVWTQSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H](O)C2(O)CCC2)no1 ZINC000929258997 646043036 /nfs/dbraw/zinc/04/30/36/646043036.db2.gz MEVGYBCBEMVBJJ-NSHDSACASA-N 1 2 240.303 0.691 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H](O)C2(O)CCC2)no1 ZINC000929258997 646043044 /nfs/dbraw/zinc/04/30/44/646043044.db2.gz MEVGYBCBEMVBJJ-NSHDSACASA-N 1 2 240.303 0.691 20 0 BCADLO COCC[N@@H+](C)C[C@H]1CCCS1(=O)=O ZINC000929319330 646075596 /nfs/dbraw/zinc/07/55/96/646075596.db2.gz MTXLYVGRWJMLKK-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000924574099 646072930 /nfs/dbraw/zinc/07/29/30/646072930.db2.gz GBJRZDFZBDYWEC-BDAKNGLRSA-N 1 2 237.307 0.398 20 0 BCADLO COCC[N@H+](C)C[C@H]1CCCS1(=O)=O ZINC000929319330 646075591 /nfs/dbraw/zinc/07/55/91/646075591.db2.gz MTXLYVGRWJMLKK-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@H](O)[C@@H](C)O ZINC000929361014 646096587 /nfs/dbraw/zinc/09/65/87/646096587.db2.gz UTCQWLKONGLRPU-ZJUUUORDSA-N 1 2 233.308 0.003 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@H](O)[C@@H](C)O ZINC000929361014 646096591 /nfs/dbraw/zinc/09/65/91/646096591.db2.gz UTCQWLKONGLRPU-ZJUUUORDSA-N 1 2 233.308 0.003 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000929488213 646141736 /nfs/dbraw/zinc/14/17/36/646141736.db2.gz SOACAFQCPZZKIB-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCNC(=O)[C@@H]1C ZINC000929488213 646141740 /nfs/dbraw/zinc/14/17/40/646141740.db2.gz SOACAFQCPZZKIB-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO Cc1cccc([C@H](O)C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000929486212 646141846 /nfs/dbraw/zinc/14/18/46/646141846.db2.gz BNZBIOOWOGGZMQ-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@H](O)C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000929486212 646141848 /nfs/dbraw/zinc/14/18/48/646141848.db2.gz BNZBIOOWOGGZMQ-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO c1cc(C[NH2+][C@@H]2CCOC23CCOCC3)[nH]n1 ZINC000924989672 646152967 /nfs/dbraw/zinc/15/29/67/646152967.db2.gz GUVUZXZKXVUWPH-LLVKDONJSA-N 1 2 237.303 0.837 20 0 BCADLO CC[N@H+](CCO)Cc1noc2c1COCC2 ZINC000929513425 646161515 /nfs/dbraw/zinc/16/15/15/646161515.db2.gz JOLDTWMGQOQYCC-UHFFFAOYSA-N 1 2 226.276 0.562 20 0 BCADLO CC[N@@H+](CCO)Cc1noc2c1COCC2 ZINC000929513425 646161518 /nfs/dbraw/zinc/16/15/18/646161518.db2.gz JOLDTWMGQOQYCC-UHFFFAOYSA-N 1 2 226.276 0.562 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)C1(O)CCC1 ZINC000929625173 646208764 /nfs/dbraw/zinc/20/87/64/646208764.db2.gz QGDLQQZJUKJGON-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)C1(O)CCC1 ZINC000929625173 646208769 /nfs/dbraw/zinc/20/87/69/646208769.db2.gz QGDLQQZJUKJGON-SNVBAGLBSA-N 1 2 225.292 0.117 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000929670733 646231393 /nfs/dbraw/zinc/23/13/93/646231393.db2.gz USMWPFZQQZCWSL-GFCCVEGCSA-N 1 2 242.319 0.002 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000929670733 646231397 /nfs/dbraw/zinc/23/13/97/646231397.db2.gz USMWPFZQQZCWSL-GFCCVEGCSA-N 1 2 242.319 0.002 20 0 BCADLO CCOCCOCC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000929683796 646240888 /nfs/dbraw/zinc/24/08/88/646240888.db2.gz XDOZGXSSZMDNJR-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCOCC[N@H+]1CCNC(=O)[C@H]1CC ZINC000929683796 646240893 /nfs/dbraw/zinc/24/08/93/646240893.db2.gz XDOZGXSSZMDNJR-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925439375 646284357 /nfs/dbraw/zinc/28/43/57/646284357.db2.gz SLALTXLQMGSBAK-NXEZZACHSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925439375 646284359 /nfs/dbraw/zinc/28/43/59/646284359.db2.gz SLALTXLQMGSBAK-NXEZZACHSA-N 1 2 239.319 0.454 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2noc3c2COCC3)C1 ZINC000929794012 646323633 /nfs/dbraw/zinc/32/36/33/646323633.db2.gz ZSDUPQKGPBAILO-SECBINFHSA-N 1 2 238.287 0.968 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000929794012 646323639 /nfs/dbraw/zinc/32/36/39/646323639.db2.gz ZSDUPQKGPBAILO-SECBINFHSA-N 1 2 238.287 0.968 20 0 BCADLO Cc1[nH]c(CN(C)Cc2nc[nH]n2)c(C)[nH+]1 ZINC000929811275 646329699 /nfs/dbraw/zinc/32/96/99/646329699.db2.gz MHCSYICCZBISSN-UHFFFAOYSA-N 1 2 220.280 0.777 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000929816996 646336409 /nfs/dbraw/zinc/33/64/09/646336409.db2.gz DLAXTSBBBLZKDB-MRVPVSSYSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000929816996 646336412 /nfs/dbraw/zinc/33/64/12/646336412.db2.gz DLAXTSBBBLZKDB-MRVPVSSYSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833553 646349145 /nfs/dbraw/zinc/34/91/45/646349145.db2.gz KFZYFHZAGQZJNP-ZJUUUORDSA-N 1 2 243.328 0.475 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833553 646349149 /nfs/dbraw/zinc/34/91/49/646349149.db2.gz KFZYFHZAGQZJNP-ZJUUUORDSA-N 1 2 243.328 0.475 20 0 BCADLO C[C@@H](NCC[NH+]1CCC1)c1cc(CO)on1 ZINC000925604328 646355603 /nfs/dbraw/zinc/35/56/03/646355603.db2.gz JKOURTKXXMKKQU-SECBINFHSA-N 1 2 225.292 0.523 20 0 BCADLO C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930041009 646409660 /nfs/dbraw/zinc/40/96/60/646409660.db2.gz LWDIMSGEILOZST-SSDOTTSWSA-N 1 2 219.244 0.674 20 0 BCADLO COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(N)cc[nH+]1 ZINC000925766338 646468365 /nfs/dbraw/zinc/46/83/65/646468365.db2.gz JCEXEIUSICSWMT-LLVKDONJSA-N 1 2 238.335 0.507 20 0 BCADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C(F)F ZINC000925769908 646471459 /nfs/dbraw/zinc/47/14/59/646471459.db2.gz HCRDMMHCXJYHBN-XLPZGREQSA-N 1 2 236.262 0.523 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CNOC1)c1cc2n(n1)CCC2 ZINC000925858424 646512609 /nfs/dbraw/zinc/51/26/09/646512609.db2.gz CETDXAKIFLYPQO-RKDXNWHRSA-N 1 2 222.292 0.383 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CNOC2)c2nccn21 ZINC000925858396 646513546 /nfs/dbraw/zinc/51/35/46/646513546.db2.gz BLSMXMCOGKRZCP-HLTSFMKQSA-N 1 2 208.265 0.382 20 0 BCADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925862436 646514924 /nfs/dbraw/zinc/51/49/24/646514924.db2.gz QNHCACVSAHAYHI-IONNQARKSA-N 1 2 240.259 0.620 20 0 BCADLO Cc1nc(CC[NH2+][C@@H](C)c2ncco2)n[nH]1 ZINC000926114425 646576380 /nfs/dbraw/zinc/57/63/80/646576380.db2.gz JWLZEJZOIXIOKA-ZETCQYMHSA-N 1 2 221.264 0.994 20 0 BCADLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cnn(C)n1 ZINC000926161773 646587635 /nfs/dbraw/zinc/58/76/35/646587635.db2.gz QKHLEAQQIPINPS-MRVPVSSYSA-N 1 2 240.307 0.617 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)n(C)n1 ZINC000926381769 646629334 /nfs/dbraw/zinc/62/93/34/646629334.db2.gz XHIAIVLMISXECU-VIFPVBQESA-N 1 2 234.307 0.708 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1F ZINC000934565201 711594059 /nfs/dbraw/zinc/59/40/59/711594059.db2.gz IWMYNOGHQIKKCP-HLTSFMKQSA-N 1 2 239.237 0.815 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1F ZINC000934565201 711594060 /nfs/dbraw/zinc/59/40/60/711594060.db2.gz IWMYNOGHQIKKCP-HLTSFMKQSA-N 1 2 239.237 0.815 20 0 BCADLO CCOC(=O)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724716533 711609455 /nfs/dbraw/zinc/60/94/55/711609455.db2.gz QFUAAOZVTZXXOM-ZCFIWIBFSA-N 1 2 238.234 0.038 20 0 BCADLO CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC000724714330 711609476 /nfs/dbraw/zinc/60/94/76/711609476.db2.gz AQJAPSNTAMMPJU-PHDIDXHHSA-N 1 2 238.234 0.037 20 0 BCADLO CNc1cc(N2C[C@@H](O)CC(F)(F)C2)[nH+]cn1 ZINC000893419904 711721558 /nfs/dbraw/zinc/72/15/58/711721558.db2.gz AVRBSGLBYNDVIJ-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO Cc1noc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399233559 711744957 /nfs/dbraw/zinc/74/49/57/711744957.db2.gz GXHVHKPLVYTAOA-APPZFPTMSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399233559 711744959 /nfs/dbraw/zinc/74/49/59/711744959.db2.gz GXHVHKPLVYTAOA-APPZFPTMSA-N 1 2 211.265 0.723 20 0 BCADLO O=C(NC[C@H]1CC[N@H+]1CCF)C1=COCCC1 ZINC001038114822 711800062 /nfs/dbraw/zinc/80/00/62/711800062.db2.gz IRPCQPNAMKBHOW-LLVKDONJSA-N 1 2 242.294 0.841 20 0 BCADLO O=C(NC[C@H]1CC[N@@H+]1CCF)C1=COCCC1 ZINC001038114822 711800063 /nfs/dbraw/zinc/80/00/63/711800063.db2.gz IRPCQPNAMKBHOW-LLVKDONJSA-N 1 2 242.294 0.841 20 0 BCADLO CCOC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907536303 711815956 /nfs/dbraw/zinc/81/59/56/711815956.db2.gz XQPSUEONNFHXNC-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@H](C(=O)NC1C[NH+](CCCO)C1)C1CC1 ZINC001030191997 711827757 /nfs/dbraw/zinc/82/77/57/711827757.db2.gz TYWKZSZEELQSCS-VIFPVBQESA-N 1 2 226.320 0.215 20 0 BCADLO CCOC1CC(C(=O)NC2C[NH+](CC)C2)C1 ZINC001030275490 711829907 /nfs/dbraw/zinc/82/99/07/711829907.db2.gz IECBRECSEDKPHU-UHFFFAOYSA-N 1 2 226.320 0.622 20 0 BCADLO CCc1nnc(C[NH2+][C@]2(CO)CCOC2)s1 ZINC000702705479 711871229 /nfs/dbraw/zinc/87/12/29/711871229.db2.gz GQELZMLOVGOVGF-JTQLQIEISA-N 1 2 243.332 0.342 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)OC1COC1 ZINC000902906275 711930155 /nfs/dbraw/zinc/93/01/55/711930155.db2.gz ZHOYSCHRRGHKAZ-UHFFFAOYSA-N 1 2 239.275 0.740 20 0 BCADLO CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034833446 712095219 /nfs/dbraw/zinc/09/52/19/712095219.db2.gz NPRGAVZJNJZACL-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO CCN(CC(=O)NC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000709069080 712207629 /nfs/dbraw/zinc/20/76/29/712207629.db2.gz OIRNMFDYRHISPN-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@@H]2C)nc[nH+]1 ZINC000710901059 712261897 /nfs/dbraw/zinc/26/18/97/712261897.db2.gz KOHZXCCJBBJVMU-JGVFFNPUSA-N 1 2 208.265 0.965 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@@H]2C)[nH+]cn1 ZINC000710901059 712261898 /nfs/dbraw/zinc/26/18/98/712261898.db2.gz KOHZXCCJBBJVMU-JGVFFNPUSA-N 1 2 208.265 0.965 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000710967871 712270410 /nfs/dbraw/zinc/27/04/10/712270410.db2.gz QFYRXSBBQURNDN-SECBINFHSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)NCCNc1cc[nH+]cc1F ZINC000711071661 712279134 /nfs/dbraw/zinc/27/91/34/712279134.db2.gz OLVLFRKFRDCLNU-UHFFFAOYSA-N 1 2 213.212 0.411 20 0 BCADLO CC1(C)CC[C@@H](C[N@@H+]2CCOC[C@H]2CO)OC1 ZINC000713572154 712465678 /nfs/dbraw/zinc/46/56/78/712465678.db2.gz XVYJSMGKTFTTRD-NEPJUHHUSA-N 1 2 243.347 0.885 20 0 BCADLO CC1(C)CC[C@@H](C[N@H+]2CCOC[C@H]2CO)OC1 ZINC000713572154 712465680 /nfs/dbraw/zinc/46/56/80/712465680.db2.gz XVYJSMGKTFTTRD-NEPJUHHUSA-N 1 2 243.347 0.885 20 0 BCADLO Cc1nc(N[C@H]2C[C@H](S(C)(=O)=O)C2)cc[nH+]1 ZINC000714252560 712480806 /nfs/dbraw/zinc/48/08/06/712480806.db2.gz ACESRIXPGYLQFO-KYZUINATSA-N 1 2 241.316 0.773 20 0 BCADLO CCN1CC[C@H]([NH2+][C@@H](C)c2cn(C)nn2)C1=O ZINC000715925764 712543336 /nfs/dbraw/zinc/54/33/36/712543336.db2.gz DBZRJHKPECJZMO-IUCAKERBSA-N 1 2 237.307 0.087 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715899817 712541205 /nfs/dbraw/zinc/54/12/05/712541205.db2.gz CJSVYXFWWZDYDQ-VIFPVBQESA-N 1 2 239.323 0.334 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCCO1 ZINC000823708315 712591780 /nfs/dbraw/zinc/59/17/80/712591780.db2.gz MGJQNTVYTOIZPB-SECBINFHSA-N 1 2 223.276 0.638 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](CCOC(F)F)C1 ZINC000851794522 712612369 /nfs/dbraw/zinc/61/23/69/712612369.db2.gz AVLBLEGMSZHMAP-VIFPVBQESA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](CCOC(F)F)C1 ZINC000851794522 712612370 /nfs/dbraw/zinc/61/23/70/712612370.db2.gz AVLBLEGMSZHMAP-VIFPVBQESA-N 1 2 241.209 0.813 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1nocc1C ZINC000720370480 712836334 /nfs/dbraw/zinc/83/63/34/712836334.db2.gz YXVMUMMQBPIKCX-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C)CCC2)C[C@@H]1CO ZINC000720678813 712861503 /nfs/dbraw/zinc/86/15/03/712861503.db2.gz FZRDLIXESYXJGR-SNVBAGLBSA-N 1 2 226.320 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C)CCC2)C[C@@H]1CO ZINC000720678813 712861506 /nfs/dbraw/zinc/86/15/06/712861506.db2.gz FZRDLIXESYXJGR-SNVBAGLBSA-N 1 2 226.320 0.312 20 0 BCADLO CC[NH2+]Cc1noc(C2(CC)COC2)n1 ZINC000381622858 710662467 /nfs/dbraw/zinc/66/24/67/710662467.db2.gz FITUSZNBLPCOGL-UHFFFAOYSA-N 1 2 211.265 0.857 20 0 BCADLO Cc1n[nH]c(C)c1C[NH2+]Cc1cnn(C)n1 ZINC000381621528 710662785 /nfs/dbraw/zinc/66/27/85/710662785.db2.gz ZYNSUWGPKCXAEQ-UHFFFAOYSA-N 1 2 220.280 0.445 20 0 BCADLO CCc1cnc(C[NH2+][C@H]2CCN(C(C)=O)C2)o1 ZINC001018375827 710665086 /nfs/dbraw/zinc/66/50/86/710665086.db2.gz NNDLGCGQRWRWBB-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1OCCO1)C1CC1 ZINC000381659316 710668708 /nfs/dbraw/zinc/66/87/08/710668708.db2.gz FTPFVZNFNJHOKU-JTQLQIEISA-N 1 2 229.276 0.291 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038445134 710687866 /nfs/dbraw/zinc/68/78/66/710687866.db2.gz GDVFZSCSVYEWIB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038445134 710687869 /nfs/dbraw/zinc/68/78/69/710687869.db2.gz GDVFZSCSVYEWIB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038445134 710687871 /nfs/dbraw/zinc/68/78/71/710687871.db2.gz GDVFZSCSVYEWIB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038445134 710687873 /nfs/dbraw/zinc/68/78/73/710687873.db2.gz GDVFZSCSVYEWIB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CNc1cc(N[C@@H]2CC23CC(O)C3)nc[nH+]1 ZINC000724927561 710750143 /nfs/dbraw/zinc/75/01/43/710750143.db2.gz VDCZAKZQQUMWNV-JKDSDDBFSA-N 1 2 220.276 0.844 20 0 BCADLO CNc1cc(N[C@@H]2CC23CC(O)C3)[nH+]cn1 ZINC000724927561 710750146 /nfs/dbraw/zinc/75/01/46/710750146.db2.gz VDCZAKZQQUMWNV-JKDSDDBFSA-N 1 2 220.276 0.844 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042498305 710788216 /nfs/dbraw/zinc/78/82/16/710788216.db2.gz DOPNJJQSKRZABC-UHFFFAOYSA-N 1 2 222.292 0.574 20 0 BCADLO CN(C(=O)C1CC1)C1C[NH+](CCn2cccn2)C1 ZINC001042396238 710778871 /nfs/dbraw/zinc/77/88/71/710778871.db2.gz ZQRGKRQVVLNAFY-UHFFFAOYSA-N 1 2 248.330 0.436 20 0 BCADLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042393502 710779998 /nfs/dbraw/zinc/77/99/98/710779998.db2.gz DUXXUWQUCKOBOZ-SSDOTTSWSA-N 1 2 236.262 0.429 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccco2)C1 ZINC001042419221 710782527 /nfs/dbraw/zinc/78/25/27/710782527.db2.gz GPQUYJQRIUASIR-VIFPVBQESA-N 1 2 238.287 0.417 20 0 BCADLO CN(C(=O)C1CCCCC1)C1C[NH+](CCO)C1 ZINC001042424766 710782707 /nfs/dbraw/zinc/78/27/07/710782707.db2.gz GUCZOSMJLXGYMF-UHFFFAOYSA-N 1 2 240.347 0.702 20 0 BCADLO Cc1cc(C(=O)N(C)C2C[NH+](C(C)C)C2)n[nH]1 ZINC001042514597 710789279 /nfs/dbraw/zinc/78/92/79/710789279.db2.gz VZMAKATXQNGSJH-UHFFFAOYSA-N 1 2 236.319 0.883 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001042544849 710791487 /nfs/dbraw/zinc/79/14/87/710791487.db2.gz UVWXZNBKXZKHKI-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO C[C@H](C(=O)N(C)C1C[NH+](CCO)C1)C1CC1 ZINC001042582104 710792962 /nfs/dbraw/zinc/79/29/62/710792962.db2.gz YJCSRPYZUCWUNE-VIFPVBQESA-N 1 2 226.320 0.167 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001042565079 710793028 /nfs/dbraw/zinc/79/30/28/710793028.db2.gz QVJSYBSASKSKAY-UHFFFAOYSA-N 1 2 222.292 0.115 20 0 BCADLO CN(C(=O)C1CC(F)(F)C1)C1C[NH+](CCO)C1 ZINC001042594887 710794250 /nfs/dbraw/zinc/79/42/50/710794250.db2.gz HEHMLDIGIFCROQ-UHFFFAOYSA-N 1 2 248.273 0.167 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC001042614463 710794426 /nfs/dbraw/zinc/79/44/26/710794426.db2.gz OXZIRRORZSAEMD-UHFFFAOYSA-N 1 2 222.292 0.196 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2=CCCC2)C1 ZINC001042609271 710795021 /nfs/dbraw/zinc/79/50/21/710795021.db2.gz VURFSGKETJFBHN-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001042625621 710795627 /nfs/dbraw/zinc/79/56/27/710795627.db2.gz KNHCBNVBRANGPZ-NSHDSACASA-N 1 2 240.347 0.822 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001042687946 710796457 /nfs/dbraw/zinc/79/64/57/710796457.db2.gz XEJIYUIEPZTJPZ-SECBINFHSA-N 1 2 248.273 0.431 20 0 BCADLO CN(C(=O)c1ncc[nH]1)C1C[NH+](CCCF)C1 ZINC001042694192 710796900 /nfs/dbraw/zinc/79/69/00/710796900.db2.gz KNXURVSBWUNXIH-UHFFFAOYSA-N 1 2 240.282 0.526 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnc3n2CCC3)C1 ZINC001042959621 710801255 /nfs/dbraw/zinc/80/12/55/710801255.db2.gz VUXXUENMDDYZRR-UHFFFAOYSA-N 1 2 248.330 0.605 20 0 BCADLO CN(C(=O)[C@H]1CCC1(F)F)C1C[NH+](CCO)C1 ZINC001043033958 710802941 /nfs/dbraw/zinc/80/29/41/710802941.db2.gz DQGCIWZRQPOANX-SECBINFHSA-N 1 2 248.273 0.167 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001043536277 710808626 /nfs/dbraw/zinc/80/86/26/710808626.db2.gz SOTFWJWINQTBIA-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(CCF)C1 ZINC001043976754 710815852 /nfs/dbraw/zinc/81/58/52/710815852.db2.gz XTLXDVCBMXYUMW-UHFFFAOYSA-N 1 2 240.282 0.064 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2oncc2C)C1 ZINC001044133559 710819976 /nfs/dbraw/zinc/81/99/76/710819976.db2.gz CUIVVEMNUYKXQG-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ccc(C(=O)N(C)C2C[NH+](CCO)C2)cc1 ZINC001044223173 710821281 /nfs/dbraw/zinc/82/12/81/710821281.db2.gz GVLWDWLQWHOZJI-UHFFFAOYSA-N 1 2 248.326 0.744 20 0 BCADLO C[C@@]1(NC(=O)c2ccon2)CC[N@H+](CCF)C1 ZINC001046170917 710853306 /nfs/dbraw/zinc/85/33/06/710853306.db2.gz IXRWESIUHGYKSP-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO C[C@@]1(NC(=O)c2ccon2)CC[N@@H+](CCF)C1 ZINC001046170917 710853309 /nfs/dbraw/zinc/85/33/09/710853309.db2.gz IXRWESIUHGYKSP-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO CS(C)(=O)=NC(=O)COc1cc[nH+]cc1 ZINC000902732651 710887099 /nfs/dbraw/zinc/88/70/99/710887099.db2.gz ADSJZXBNXROMMY-UHFFFAOYSA-N 1 2 228.273 0.715 20 0 BCADLO CC(C)[NH+]1CC2(C1)CN(C(=O)C(F)F)CCO2 ZINC001053115486 710919921 /nfs/dbraw/zinc/91/99/21/710919921.db2.gz KZLIGJJIOCMKGS-UHFFFAOYSA-N 1 2 248.273 0.573 20 0 BCADLO CCC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053707806 710921155 /nfs/dbraw/zinc/92/11/55/710921155.db2.gz PMXSAKOLUCVEIR-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053738990 710923343 /nfs/dbraw/zinc/92/33/43/710923343.db2.gz WIEHYDDHHZMWNI-SNVBAGLBSA-N 1 2 249.314 0.608 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054300443 710925055 /nfs/dbraw/zinc/92/50/55/710925055.db2.gz FJBVQFHCSFHFOZ-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001050865612 710956172 /nfs/dbraw/zinc/95/61/72/710956172.db2.gz MRGFXSIHYVEALB-MCIGGMRASA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001050865612 710956173 /nfs/dbraw/zinc/95/61/73/710956173.db2.gz MRGFXSIHYVEALB-MCIGGMRASA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050874669 710956178 /nfs/dbraw/zinc/95/61/78/710956178.db2.gz RKHVLZRUMDFCCG-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050874669 710956179 /nfs/dbraw/zinc/95/61/79/710956179.db2.gz RKHVLZRUMDFCCG-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050879967 710956186 /nfs/dbraw/zinc/95/61/86/710956186.db2.gz RKHVLZRUMDFCCG-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050879967 710956187 /nfs/dbraw/zinc/95/61/87/710956187.db2.gz RKHVLZRUMDFCCG-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001050818762 710956425 /nfs/dbraw/zinc/95/64/25/710956425.db2.gz ULLVEFWYEUFCIY-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001050818762 710956431 /nfs/dbraw/zinc/95/64/31/710956431.db2.gz ULLVEFWYEUFCIY-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2cccnc2N)C1 ZINC000384049328 712901913 /nfs/dbraw/zinc/90/19/13/712901913.db2.gz MHZDIIJMQGQLFE-UHFFFAOYSA-N 1 2 221.304 0.867 20 0 BCADLO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(C(=O)[O-])c[nH+]3)C[C@H]21 ZINC000384742130 710995670 /nfs/dbraw/zinc/99/56/70/710995670.db2.gz LLVGQLKLTDJRFA-IAZYJMLFSA-N 1 2 247.298 0.776 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](O)C1(C)C ZINC000386300790 711027947 /nfs/dbraw/zinc/02/79/47/711027947.db2.gz IJTYYLFYUFLZLZ-VIFPVBQESA-N 1 2 247.302 0.713 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000387908972 711048560 /nfs/dbraw/zinc/04/85/60/711048560.db2.gz MCEMFKDMIFKIHF-KCJUWKMLSA-N 1 2 226.276 0.634 20 0 BCADLO COCc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000387908972 711048565 /nfs/dbraw/zinc/04/85/65/711048565.db2.gz MCEMFKDMIFKIHF-KCJUWKMLSA-N 1 2 226.276 0.634 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cccc(F)n1 ZINC000388485173 711061267 /nfs/dbraw/zinc/06/12/67/711061267.db2.gz YYOYNHNQGATFTM-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO COC(=O)c1cnc(NCc2c[nH+]cn2C)cn1 ZINC000388505015 711062103 /nfs/dbraw/zinc/06/21/03/711062103.db2.gz LGCDDJGGKCRPSP-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cn1ncc(C[N@H+](CCCO)C2CC2)n1 ZINC000389602797 711082274 /nfs/dbraw/zinc/08/22/74/711082274.db2.gz VWBMKMVPIJNOGI-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@@H+](CCCO)C2CC2)n1 ZINC000389602797 711082276 /nfs/dbraw/zinc/08/22/76/711082276.db2.gz VWBMKMVPIJNOGI-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO CNc1cc(N[C@H]2CCCCNC2=O)nc[nH+]1 ZINC000391586276 711138211 /nfs/dbraw/zinc/13/82/11/711138211.db2.gz WNRNHXXJYIEKLL-QMMMGPOBSA-N 1 2 235.291 0.599 20 0 BCADLO CNc1cc(N[C@H]2CCCCNC2=O)[nH+]cn1 ZINC000391586276 711138213 /nfs/dbraw/zinc/13/82/13/711138213.db2.gz WNRNHXXJYIEKLL-QMMMGPOBSA-N 1 2 235.291 0.599 20 0 BCADLO CNc1cc(N[C@@H]2CCCCNC2=O)nc[nH+]1 ZINC000391586273 711138838 /nfs/dbraw/zinc/13/88/38/711138838.db2.gz WNRNHXXJYIEKLL-MRVPVSSYSA-N 1 2 235.291 0.599 20 0 BCADLO CNc1cc(N[C@@H]2CCCCNC2=O)[nH+]cn1 ZINC000391586273 711138839 /nfs/dbraw/zinc/13/88/39/711138839.db2.gz WNRNHXXJYIEKLL-MRVPVSSYSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000391986416 711143088 /nfs/dbraw/zinc/14/30/88/711143088.db2.gz SIGHSPBMMGNNPA-LURJTMIESA-N 1 2 228.321 0.413 20 0 BCADLO CON(C)C(=O)C[NH2+][C@@H](C)c1cnccn1 ZINC000397532335 711385349 /nfs/dbraw/zinc/38/53/49/711385349.db2.gz LOEIVCWPZIJMQB-QMMMGPOBSA-N 1 2 224.264 0.147 20 0 BCADLO C[N@H+](CC[S@@](C)=O)C[C@H](O)C(F)(F)F ZINC000399078536 711420890 /nfs/dbraw/zinc/42/08/90/711420890.db2.gz KFGGIFUXYWAJSJ-DXRPGJJCSA-N 1 2 233.255 0.220 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)C[C@H](O)C(F)(F)F ZINC000399078536 711420894 /nfs/dbraw/zinc/42/08/94/711420894.db2.gz KFGGIFUXYWAJSJ-DXRPGJJCSA-N 1 2 233.255 0.220 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000399328680 711427449 /nfs/dbraw/zinc/42/74/49/711427449.db2.gz XPZKLWQQOCRMSX-APPZFPTMSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000399328680 711427452 /nfs/dbraw/zinc/42/74/52/711427452.db2.gz XPZKLWQQOCRMSX-APPZFPTMSA-N 1 2 211.265 0.723 20 0 BCADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074175419 711441700 /nfs/dbraw/zinc/44/17/00/711441700.db2.gz UKLSQQLDQNUNFL-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074175419 711441703 /nfs/dbraw/zinc/44/17/03/711441703.db2.gz UKLSQQLDQNUNFL-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cccnc2)C1 ZINC001042414788 710781203 /nfs/dbraw/zinc/78/12/03/710781203.db2.gz UGMPGFSYBMXMQR-JTQLQIEISA-N 1 2 249.314 0.219 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001042497692 710787580 /nfs/dbraw/zinc/78/75/80/710787580.db2.gz WIJNPOWNOYXGPC-UHFFFAOYSA-N 1 2 208.265 0.186 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042497692 710787583 /nfs/dbraw/zinc/78/75/83/710787583.db2.gz WIJNPOWNOYXGPC-UHFFFAOYSA-N 1 2 208.265 0.186 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001056091945 710946787 /nfs/dbraw/zinc/94/67/87/710946787.db2.gz FRRGYRPCSFWHAP-IAZYJMLFSA-N 1 2 232.287 0.356 20 0 BCADLO CNc1cc(NCc2ncoc2C)nc[nH+]1 ZINC000397934864 711396258 /nfs/dbraw/zinc/39/62/58/711396258.db2.gz HEQXIRSKUMURSW-UHFFFAOYSA-N 1 2 219.248 0.849 20 0 BCADLO CNc1cc(NCc2ncoc2C)[nH+]cn1 ZINC000397934864 711396261 /nfs/dbraw/zinc/39/62/61/711396261.db2.gz HEQXIRSKUMURSW-UHFFFAOYSA-N 1 2 219.248 0.849 20 0 BCADLO CNc1cc(N2CCOC[C@@H](C)C2)nc[nH+]1 ZINC000399533117 711431610 /nfs/dbraw/zinc/43/16/10/711431610.db2.gz SZDNNKQJUJKJIU-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N2CCOC[C@@H](C)C2)[nH+]cn1 ZINC000399533117 711431612 /nfs/dbraw/zinc/43/16/12/711431612.db2.gz SZDNNKQJUJKJIU-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO C[C@@]1(CO)CCC[N@H+]1Cc1cnsn1 ZINC000723039350 711496957 /nfs/dbraw/zinc/49/69/57/711496957.db2.gz PJCANCGZZFMJSB-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)Cc1c[nH+]cn1C ZINC000926058811 711479872 /nfs/dbraw/zinc/47/98/72/711479872.db2.gz NAWSRQDDHOPDRF-MRXNPFEDSA-N 1 2 243.332 0.995 20 0 BCADLO C[C@@]1(CO)CCC[N@@H+]1Cc1cnsn1 ZINC000723039350 711496956 /nfs/dbraw/zinc/49/69/56/711496956.db2.gz PJCANCGZZFMJSB-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CNc1cc(NC[C@@H](COC)OC)[nH+]cn1 ZINC000234508812 711557957 /nfs/dbraw/zinc/55/79/57/711557957.db2.gz AGENKCMNEFETNU-QMMMGPOBSA-N 1 2 226.280 0.592 20 0 BCADLO CCn1cc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC000724694020 711608891 /nfs/dbraw/zinc/60/88/91/711608891.db2.gz ZVXROAFSUDDJMY-ZETCQYMHSA-N 1 2 232.234 0.824 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001075466518 711628500 /nfs/dbraw/zinc/62/85/00/711628500.db2.gz VUHBUMAPKOAZFT-NWDGAFQWSA-N 1 2 246.314 0.529 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001075466518 711628503 /nfs/dbraw/zinc/62/85/03/711628503.db2.gz VUHBUMAPKOAZFT-NWDGAFQWSA-N 1 2 246.314 0.529 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CC12CC(O)C2 ZINC000724930485 711629676 /nfs/dbraw/zinc/62/96/76/711629676.db2.gz JVNUWRNWRADRNU-UXEXPGAESA-N 1 2 236.275 0.393 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CC12CC(O)C2 ZINC000724930485 711629678 /nfs/dbraw/zinc/62/96/78/711629678.db2.gz JVNUWRNWRADRNU-UXEXPGAESA-N 1 2 236.275 0.393 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000924564631 711671226 /nfs/dbraw/zinc/67/12/26/711671226.db2.gz PCPFFGBTJWDRAX-XHNCKOQMSA-N 1 2 237.307 0.398 20 0 BCADLO CNc1cc(NC[C@@H](O)c2cnn(C)c2)[nH+]cn1 ZINC000892674962 711682891 /nfs/dbraw/zinc/68/28/91/711682891.db2.gz MBEHKCSQNZGOFM-SECBINFHSA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(NC[C@H](O)c2cnn(C)c2)[nH+]cn1 ZINC000892674963 711682900 /nfs/dbraw/zinc/68/29/00/711682900.db2.gz MBEHKCSQNZGOFM-VIFPVBQESA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(N2C[C@@H](O)CC(F)(F)C2)nc[nH+]1 ZINC000893419904 711721557 /nfs/dbraw/zinc/72/15/57/711721557.db2.gz AVRBSGLBYNDVIJ-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO CC(C)(CC(N)=O)[NH2+]Cc1cnsn1 ZINC000399704472 711759013 /nfs/dbraw/zinc/75/90/13/711759013.db2.gz DRNYFNOZOKJXPQ-UHFFFAOYSA-N 1 2 214.294 0.282 20 0 BCADLO Cc1nn(C)c(C[NH2+]C2(C(N)=O)CC2)c1Cl ZINC000893554562 711735737 /nfs/dbraw/zinc/73/57/37/711735737.db2.gz XQRIBAIPDJYZEH-UHFFFAOYSA-N 1 2 242.710 0.489 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]12 ZINC000399698486 711758997 /nfs/dbraw/zinc/75/89/97/711758997.db2.gz ZWDBTRCIHFOJFY-FKTZTGRPSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]12 ZINC000399698486 711758998 /nfs/dbraw/zinc/75/89/98/711758998.db2.gz ZWDBTRCIHFOJFY-FKTZTGRPSA-N 1 2 225.317 0.741 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1nccn2ccnc12 ZINC000894759656 711772074 /nfs/dbraw/zinc/77/20/74/711772074.db2.gz AAJQSKHDPPIVNH-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1nccn2ccnc12 ZINC000894759656 711772076 /nfs/dbraw/zinc/77/20/76/711772076.db2.gz AAJQSKHDPPIVNH-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1nccn2ccnc12 ZINC000894759655 711772101 /nfs/dbraw/zinc/77/21/01/711772101.db2.gz AAJQSKHDPPIVNH-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1nccn2ccnc12 ZINC000894759655 711772102 /nfs/dbraw/zinc/77/21/02/711772102.db2.gz AAJQSKHDPPIVNH-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C2(C)CC2)C1 ZINC001042762571 711801100 /nfs/dbraw/zinc/80/11/00/711801100.db2.gz KCDDVZZMNSXKIC-SECBINFHSA-N 1 2 226.320 0.310 20 0 BCADLO CCOC(C[NH2+][C@H](C)c1nncn1C)OCC ZINC000160222842 711806101 /nfs/dbraw/zinc/80/61/01/711806101.db2.gz MGAZPPOHGQDJMX-SECBINFHSA-N 1 2 242.323 0.865 20 0 BCADLO COCC[NH2+]Cc1nc([C@@H]2C[C@@H]2C)no1 ZINC000083810999 711810184 /nfs/dbraw/zinc/81/01/84/711810184.db2.gz ZVWDOEGWLGBURC-JGVFFNPUSA-N 1 2 211.265 0.929 20 0 BCADLO CCc1nc[nH]c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906696008 711814156 /nfs/dbraw/zinc/81/41/56/711814156.db2.gz CCLGLOJGSRUYSK-UHFFFAOYSA-N 1 2 245.286 0.866 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(NC)[nH+]cn1 ZINC000382127322 711824785 /nfs/dbraw/zinc/82/47/85/711824785.db2.gz VQPCSFMCFITCDJ-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(NC)nc[nH+]1 ZINC000382127322 711824787 /nfs/dbraw/zinc/82/47/87/711824787.db2.gz VQPCSFMCFITCDJ-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NCCC#N)CC(C)(C)O1 ZINC000068476726 711886658 /nfs/dbraw/zinc/88/66/58/711886658.db2.gz DLXJBIXTEOSCNB-JTQLQIEISA-N 1 2 239.319 0.516 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)CC(C)(C)O1 ZINC000068476726 711886660 /nfs/dbraw/zinc/88/66/60/711886660.db2.gz DLXJBIXTEOSCNB-JTQLQIEISA-N 1 2 239.319 0.516 20 0 BCADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C ZINC001032555292 711925236 /nfs/dbraw/zinc/92/52/36/711925236.db2.gz HILRABJEGGSBDJ-IUCAKERBSA-N 1 2 235.291 0.032 20 0 BCADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C ZINC001032555292 711925237 /nfs/dbraw/zinc/92/52/37/711925237.db2.gz HILRABJEGGSBDJ-IUCAKERBSA-N 1 2 235.291 0.032 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001032844916 711961363 /nfs/dbraw/zinc/96/13/63/711961363.db2.gz ZWMKRZTYEGRJKF-GFCCVEGCSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001032844916 711961365 /nfs/dbraw/zinc/96/13/65/711961365.db2.gz ZWMKRZTYEGRJKF-GFCCVEGCSA-N 1 2 236.319 0.473 20 0 BCADLO Cc1cnnc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC000700172292 711987403 /nfs/dbraw/zinc/98/74/03/711987403.db2.gz ZVCLRMMXVVUEQU-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnnc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000700172292 711987404 /nfs/dbraw/zinc/98/74/04/711987404.db2.gz ZVCLRMMXVVUEQU-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CNc1cc(N2CC[C@@H](C)[C@@H](CO)C2)nc[nH+]1 ZINC000700452833 711995352 /nfs/dbraw/zinc/99/53/52/711995352.db2.gz VQFDISFJXJHWAR-NXEZZACHSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2CC[C@@H](C)[C@@H](CO)C2)[nH+]cn1 ZINC000700452833 711995355 /nfs/dbraw/zinc/99/53/55/711995355.db2.gz VQFDISFJXJHWAR-NXEZZACHSA-N 1 2 236.319 0.973 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)CC(C)=O ZINC000700640610 712001258 /nfs/dbraw/zinc/00/12/58/712001258.db2.gz OTBAJBZJGKARSC-UHFFFAOYSA-N 1 2 202.254 0.205 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)CC(C)=O ZINC000700640610 712001259 /nfs/dbraw/zinc/00/12/59/712001259.db2.gz OTBAJBZJGKARSC-UHFFFAOYSA-N 1 2 202.254 0.205 20 0 BCADLO CCn1cc(C[N@H+](C)Cc2ccc(N)nn2)cn1 ZINC000703926599 712094725 /nfs/dbraw/zinc/09/47/25/712094725.db2.gz ZFUUOXNFYYLETB-UHFFFAOYSA-N 1 2 246.318 0.907 20 0 BCADLO CCn1cc(C[N@@H+](C)Cc2ccc(N)nn2)cn1 ZINC000703926599 712094726 /nfs/dbraw/zinc/09/47/26/712094726.db2.gz ZFUUOXNFYYLETB-UHFFFAOYSA-N 1 2 246.318 0.907 20 0 BCADLO CNc1cc(N[C@@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000704332619 712104314 /nfs/dbraw/zinc/10/43/14/712104314.db2.gz DVRAHUAVJQNKMH-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO CNc1cc(N[C@@H]2CCCN(C)C2=O)[nH+]cn1 ZINC000704332619 712104315 /nfs/dbraw/zinc/10/43/15/712104315.db2.gz DVRAHUAVJQNKMH-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO COC(C[N@@H+]1CCO[C@](C)(C(F)F)C1)OC ZINC000704999692 712122568 /nfs/dbraw/zinc/12/25/68/712122568.db2.gz QXVBMOYCAJSRCG-JTQLQIEISA-N 1 2 239.262 0.961 20 0 BCADLO COC(C[N@H+]1CCO[C@](C)(C(F)F)C1)OC ZINC000704999692 712122570 /nfs/dbraw/zinc/12/25/70/712122570.db2.gz QXVBMOYCAJSRCG-JTQLQIEISA-N 1 2 239.262 0.961 20 0 BCADLO CCn1c[nH+]cc1CNc1cn(C)nn1 ZINC000706484312 712147405 /nfs/dbraw/zinc/14/74/05/712147405.db2.gz VWWQFSKOPPXRRC-UHFFFAOYSA-N 1 2 206.253 0.644 20 0 BCADLO CNc1cc(N[C@@H]2CCOC[C@H]2O)nc[nH+]1 ZINC000707062269 712164921 /nfs/dbraw/zinc/16/49/21/712164921.db2.gz JOZQYVVOSJBZDT-HTQZYQBOSA-N 1 2 224.264 0.080 20 0 BCADLO CNc1cc(N[C@@H]2CCOC[C@H]2O)[nH+]cn1 ZINC000707062269 712164923 /nfs/dbraw/zinc/16/49/23/712164923.db2.gz JOZQYVVOSJBZDT-HTQZYQBOSA-N 1 2 224.264 0.080 20 0 BCADLO Cc1nc(N2CC[C@H](CF)C2)nc(N)[nH+]1 ZINC000711479036 712305570 /nfs/dbraw/zinc/30/55/70/712305570.db2.gz WSKGIXZMJGUUCB-SSDOTTSWSA-N 1 2 211.244 0.558 20 0 BCADLO CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001062862156 712342139 /nfs/dbraw/zinc/34/21/39/712342139.db2.gz NNRKUPFYXIBHCO-LLVKDONJSA-N 1 2 234.303 0.842 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)c1ccon1 ZINC001079459245 712349041 /nfs/dbraw/zinc/34/90/41/712349041.db2.gz KHCVIHZERDVPSK-PSASIEDQSA-N 1 2 241.266 0.694 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)c1ccon1 ZINC001079459245 712349042 /nfs/dbraw/zinc/34/90/42/712349042.db2.gz KHCVIHZERDVPSK-PSASIEDQSA-N 1 2 241.266 0.694 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c[nH]nc2C)C1 ZINC000379219670 712371626 /nfs/dbraw/zinc/37/16/26/712371626.db2.gz SCRUTGPWCRPNCV-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO NS(=O)(=O)C1(CNc2cccc[nH+]2)CC1 ZINC000713935967 712474111 /nfs/dbraw/zinc/47/41/11/712474111.db2.gz UJIYUCYJDLZXRU-UHFFFAOYSA-N 1 2 227.289 0.315 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)o1 ZINC000714244914 712480337 /nfs/dbraw/zinc/48/03/37/712480337.db2.gz VZGCNHUCEKKNKS-KYZUINATSA-N 1 2 244.316 0.648 20 0 BCADLO CCCn1cc(C[NH2+][C@H](C)C(=O)NCC)nn1 ZINC000714460476 712490567 /nfs/dbraw/zinc/49/05/67/712490567.db2.gz QKBOEXQMFBDIHY-SECBINFHSA-N 1 2 239.323 0.302 20 0 BCADLO CCCn1cc(C[NH2+][C@H](C)C(=O)N(C)C)nn1 ZINC000714458179 712490596 /nfs/dbraw/zinc/49/05/96/712490596.db2.gz JHHCULFBMXRYGO-SECBINFHSA-N 1 2 239.323 0.254 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2CCCC23OCCO3)n1 ZINC000715760934 712531806 /nfs/dbraw/zinc/53/18/06/712531806.db2.gz JPOCHXFLQUWZHD-SNVBAGLBSA-N 1 2 238.291 0.200 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cn(C)nn1 ZINC000715839802 712535165 /nfs/dbraw/zinc/53/51/65/712535165.db2.gz VXPHKZYKZKONNL-FSPLSTOPSA-N 1 2 238.213 0.389 20 0 BCADLO CCN1CC[C@H]([NH2+][C@H](C)c2cn(C)nn2)C1=O ZINC000715925762 712542987 /nfs/dbraw/zinc/54/29/87/712542987.db2.gz DBZRJHKPECJZMO-BDAKNGLRSA-N 1 2 237.307 0.087 20 0 BCADLO CCCn1cc([C@H](C)[NH2+][C@H]2CCNC2=O)nn1 ZINC000715958233 712545747 /nfs/dbraw/zinc/54/57/47/712545747.db2.gz MAVGKKZYAHALRH-IUCAKERBSA-N 1 2 237.307 0.227 20 0 BCADLO Cc1cc(C[NH2+]C2CC(S(C)(=O)=O)C2)no1 ZINC000716073085 712549631 /nfs/dbraw/zinc/54/96/31/712549631.db2.gz QVXYLHMNMQZFPR-UHFFFAOYSA-N 1 2 244.316 0.648 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)OCCF ZINC000858953650 712617282 /nfs/dbraw/zinc/61/72/82/712617282.db2.gz YNFAWRMWNMCUQS-JTQLQIEISA-N 1 2 247.314 0.318 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NCC1CC1 ZINC000864696225 712620824 /nfs/dbraw/zinc/62/08/24/712620824.db2.gz CYXMQBVINZLQGD-OWOJBTEDSA-N 1 2 224.304 0.401 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000718406880 712759339 /nfs/dbraw/zinc/75/93/39/712759339.db2.gz RUXVLOJKYJFYCZ-UWVGGRQHSA-N 1 2 212.293 0.185 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)no1 ZINC000718981566 712790972 /nfs/dbraw/zinc/79/09/72/712790972.db2.gz VWEYQHPJDIPLFA-SECBINFHSA-N 1 2 239.275 0.573 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C3OCCO3)C2)no1 ZINC000718981566 712790975 /nfs/dbraw/zinc/79/09/75/712790975.db2.gz VWEYQHPJDIPLFA-SECBINFHSA-N 1 2 239.275 0.573 20 0 BCADLO c1nsnc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719111163 712798044 /nfs/dbraw/zinc/79/80/44/712798044.db2.gz ZKLPXCIIRYEOIK-QMMMGPOBSA-N 1 2 241.316 0.733 20 0 BCADLO c1nsnc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719111163 712798047 /nfs/dbraw/zinc/79/80/47/712798047.db2.gz ZKLPXCIIRYEOIK-QMMMGPOBSA-N 1 2 241.316 0.733 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1ccns1 ZINC000719854391 712825934 /nfs/dbraw/zinc/82/59/34/712825934.db2.gz PJEBZRGIITXDHK-NXEZZACHSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1ccns1 ZINC000719854391 712825936 /nfs/dbraw/zinc/82/59/36/712825936.db2.gz PJEBZRGIITXDHK-NXEZZACHSA-N 1 2 242.344 0.767 20 0 BCADLO Cc1conc1C[N@@H+](CCO)C[C@@H](C)O ZINC000720363058 712835454 /nfs/dbraw/zinc/83/54/54/712835454.db2.gz KPIRTOIJEFFPOL-SECBINFHSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1conc1C[N@H+](CCO)C[C@@H](C)O ZINC000720363058 712835455 /nfs/dbraw/zinc/83/54/55/712835455.db2.gz KPIRTOIJEFFPOL-SECBINFHSA-N 1 2 214.265 0.158 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC000720390783 712838019 /nfs/dbraw/zinc/83/80/19/712838019.db2.gz PGEIMZGRQVFJFP-VIFPVBQESA-N 1 2 200.238 0.080 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC1OCCO1 ZINC000380301855 712864259 /nfs/dbraw/zinc/86/42/59/712864259.db2.gz DWNQCKPGMDFOKR-UHFFFAOYSA-N 1 2 217.265 0.291 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)C1CC1 ZINC001037979258 712894659 /nfs/dbraw/zinc/89/46/59/712894659.db2.gz BGSASSGNVARCBC-NSHDSACASA-N 1 2 248.330 0.521 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000547974376 398135539 /nfs/dbraw/zinc/13/55/39/398135539.db2.gz GSTOBBFNIDVWPY-LLVKDONJSA-N 1 2 237.307 0.355 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000547974376 398135541 /nfs/dbraw/zinc/13/55/41/398135541.db2.gz GSTOBBFNIDVWPY-LLVKDONJSA-N 1 2 237.307 0.355 20 0 BCADLO Cc1nn(Cc2[nH+]ccn2C(F)F)c(=O)n1C ZINC000650347637 398135828 /nfs/dbraw/zinc/13/58/28/398135828.db2.gz JZPPCWTURBRKDF-UHFFFAOYSA-N 1 2 243.217 0.530 20 0 BCADLO CC(=O)N(C)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000408008104 136208985 /nfs/dbraw/zinc/20/89/85/136208985.db2.gz CKKPIWPTPTZERM-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CCOC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602068098 349438071 /nfs/dbraw/zinc/43/80/71/349438071.db2.gz BZKGULORQMEWPQ-HTQZYQBOSA-N 1 2 237.259 0.193 20 0 BCADLO CCOC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602068098 349438073 /nfs/dbraw/zinc/43/80/73/349438073.db2.gz BZKGULORQMEWPQ-HTQZYQBOSA-N 1 2 237.259 0.193 20 0 BCADLO CCc1nnc(C[N@H+](CCCO)C2CC2)o1 ZINC000309060135 349439285 /nfs/dbraw/zinc/43/92/85/349439285.db2.gz VMCPGLSSXZVUNJ-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+](CCCO)C2CC2)o1 ZINC000309060135 349439288 /nfs/dbraw/zinc/43/92/88/349439288.db2.gz VMCPGLSSXZVUNJ-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO O=C(NCCC1CC1)NCC[NH+]1CCOCC1 ZINC000080620870 136211012 /nfs/dbraw/zinc/21/10/12/136211012.db2.gz IXEKMPUPGKOQGM-UHFFFAOYSA-N 1 2 241.335 0.418 20 0 BCADLO CCCC[N@H+](CCO)Cc1noc(C)n1 ZINC000048346925 136209686 /nfs/dbraw/zinc/20/96/86/136209686.db2.gz NECNOKPWWCHJCL-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO CCCC[N@@H+](CCO)Cc1noc(C)n1 ZINC000048346925 136209687 /nfs/dbraw/zinc/20/96/87/136209687.db2.gz NECNOKPWWCHJCL-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO CCOCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000602127872 349456680 /nfs/dbraw/zinc/45/66/80/349456680.db2.gz OUCSEZQSRDPMCB-UHFFFAOYSA-N 1 2 236.271 0.708 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287344877 398142680 /nfs/dbraw/zinc/14/26/80/398142680.db2.gz GMZAGRDIYSNXNW-QMMMGPOBSA-N 1 2 210.281 0.539 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000580267615 346809958 /nfs/dbraw/zinc/80/99/58/346809958.db2.gz MNXDBVFZPWTGSS-JTQLQIEISA-N 1 2 225.292 0.096 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000649859549 398143926 /nfs/dbraw/zinc/14/39/26/398143926.db2.gz OUSXULHOVCAMGY-VHSXEESVSA-N 1 2 223.276 0.739 20 0 BCADLO CCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000605422513 343978177 /nfs/dbraw/zinc/97/81/77/343978177.db2.gz GQMNSVFCLZTATG-UHFFFAOYSA-N 1 2 223.324 0.641 20 0 BCADLO CSCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000602244309 349486023 /nfs/dbraw/zinc/48/60/23/349486023.db2.gz CNBGETZFJIOKHH-MRVPVSSYSA-N 1 2 240.332 0.470 20 0 BCADLO CCc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649863745 398147264 /nfs/dbraw/zinc/14/72/64/398147264.db2.gz NVXQBRSWKKFNRD-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649863745 398147269 /nfs/dbraw/zinc/14/72/69/398147269.db2.gz NVXQBRSWKKFNRD-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000378718697 346815288 /nfs/dbraw/zinc/81/52/88/346815288.db2.gz DMTCZCZZPQIPKR-SXLGRDMDSA-N 1 2 226.103 0.733 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000378718697 346815291 /nfs/dbraw/zinc/81/52/91/346815291.db2.gz DMTCZCZZPQIPKR-SXLGRDMDSA-N 1 2 226.103 0.733 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000161982286 538920109 /nfs/dbraw/zinc/92/01/09/538920109.db2.gz RPYWYBVURBAIKU-SNVBAGLBSA-N 1 2 220.276 0.316 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000161982286 538920111 /nfs/dbraw/zinc/92/01/11/538920111.db2.gz RPYWYBVURBAIKU-SNVBAGLBSA-N 1 2 220.276 0.316 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649867805 398151359 /nfs/dbraw/zinc/15/13/59/398151359.db2.gz SHLHNHPCIOVPRP-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649867805 398151364 /nfs/dbraw/zinc/15/13/64/398151364.db2.gz SHLHNHPCIOVPRP-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](F)C[N@H+](C)[C@H](COC)C(N)=O ZINC000339356716 398154963 /nfs/dbraw/zinc/15/49/63/398154963.db2.gz BGQGULMWXFPGMA-JGVFFNPUSA-N 1 2 206.261 0.167 20 0 BCADLO CC[C@H](F)C[N@@H+](C)[C@H](COC)C(N)=O ZINC000339356716 398154964 /nfs/dbraw/zinc/15/49/64/398154964.db2.gz BGQGULMWXFPGMA-JGVFFNPUSA-N 1 2 206.261 0.167 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cnc(C)s1 ZINC000339356524 398155201 /nfs/dbraw/zinc/15/52/01/398155201.db2.gz GNWHJEYPPLFFMY-VIFPVBQESA-N 1 2 243.332 0.384 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cnc(C)s1 ZINC000339356524 398155204 /nfs/dbraw/zinc/15/52/04/398155204.db2.gz GNWHJEYPPLFFMY-VIFPVBQESA-N 1 2 243.332 0.384 20 0 BCADLO Cc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)on1 ZINC000264641384 178015014 /nfs/dbraw/zinc/01/50/14/178015014.db2.gz FEZYAPKVAJOVOU-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)no1 ZINC000004389316 178022154 /nfs/dbraw/zinc/02/21/54/178022154.db2.gz PFGYVCNVXKRYLH-SSDOTTSWSA-N 1 2 224.182 0.996 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000649893744 398168667 /nfs/dbraw/zinc/16/86/67/398168667.db2.gz QKQQBFBMGTVAJS-IONNQARKSA-N 1 2 210.281 0.631 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000649893744 398168668 /nfs/dbraw/zinc/16/86/68/398168668.db2.gz QKQQBFBMGTVAJS-IONNQARKSA-N 1 2 210.281 0.631 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303259047 136215220 /nfs/dbraw/zinc/21/52/20/136215220.db2.gz BVCHHQAOSMGKBL-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303259047 136215221 /nfs/dbraw/zinc/21/52/21/136215221.db2.gz BVCHHQAOSMGKBL-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO Cc1cc(CO)oc1C(=O)N1CC[NH+](C)CC1 ZINC000282824818 178046474 /nfs/dbraw/zinc/04/64/74/178046474.db2.gz CSVLVNSURADLCO-UHFFFAOYSA-N 1 2 238.287 0.468 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C)s1 ZINC000408442161 398178354 /nfs/dbraw/zinc/17/83/54/398178354.db2.gz KJOOAHMYFNXFAD-AOOOYVTPSA-N 1 2 228.317 0.297 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C)s1 ZINC000408442161 398178359 /nfs/dbraw/zinc/17/83/59/398178359.db2.gz KJOOAHMYFNXFAD-AOOOYVTPSA-N 1 2 228.317 0.297 20 0 BCADLO Cc1cc(N(C)CC(=O)N(C)C)nc[nH+]1 ZINC000301249997 178097107 /nfs/dbraw/zinc/09/71/07/178097107.db2.gz PJXYIBVJQLFJSZ-UHFFFAOYSA-N 1 2 208.265 0.309 20 0 BCADLO Cc1cc(N)nc(SCC(=O)NC2CC2)[nH+]1 ZINC000022089144 178108775 /nfs/dbraw/zinc/10/87/75/178108775.db2.gz GXEBLXCFOJSBCE-UHFFFAOYSA-N 1 2 238.316 0.738 20 0 BCADLO Cc1cc(N)nc(SC[C@H]2COCCO2)[nH+]1 ZINC000309244855 178108864 /nfs/dbraw/zinc/10/88/64/178108864.db2.gz BVIVOABYGRJNMG-MRVPVSSYSA-N 1 2 241.316 0.875 20 0 BCADLO Cc1cc(N)nc(S[C@H]2CCOC2=O)[nH+]1 ZINC000007047765 178109717 /nfs/dbraw/zinc/10/97/17/178109717.db2.gz KNCDEDAYVHBOEV-LURJTMIESA-N 1 2 225.273 0.775 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000558647710 398184966 /nfs/dbraw/zinc/18/49/66/398184966.db2.gz GTJBCQWXQDXGKW-DTWKUNHWSA-N 1 2 209.249 0.177 20 0 BCADLO Cc1cc(N2CCOCCN2)[nH+]c(C)n1 ZINC000288896570 178116668 /nfs/dbraw/zinc/11/66/68/178116668.db2.gz HYURNFSVCZSCSA-UHFFFAOYSA-N 1 2 208.265 0.435 20 0 BCADLO Cc1cc(N2CC[C@H](CO)[C@H]2C)nc[nH+]1 ZINC000362659435 178119827 /nfs/dbraw/zinc/11/98/27/178119827.db2.gz VRDNFPQWSYCHDJ-NXEZZACHSA-N 1 2 207.277 0.992 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)COC1 ZINC000576305210 365561663 /nfs/dbraw/zinc/56/16/63/365561663.db2.gz RVJFFAISXPGSBZ-VIFPVBQESA-N 1 2 223.276 0.424 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)nc1 ZINC000338628276 187327029 /nfs/dbraw/zinc/32/70/29/187327029.db2.gz YXTYVSRIKZUTBD-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)nc1 ZINC000338628276 187327031 /nfs/dbraw/zinc/32/70/31/187327031.db2.gz YXTYVSRIKZUTBD-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)on1 ZINC000178004713 178131042 /nfs/dbraw/zinc/13/10/42/178131042.db2.gz KHIJSIJEFSNWKB-LLVKDONJSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)on1 ZINC000178004713 178131046 /nfs/dbraw/zinc/13/10/46/178131046.db2.gz KHIJSIJEFSNWKB-LLVKDONJSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)on1 ZINC000340913819 178133340 /nfs/dbraw/zinc/13/33/40/178133340.db2.gz HCVPFZVZDFEODZ-DTWKUNHWSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)on1 ZINC000340913819 178133342 /nfs/dbraw/zinc/13/33/42/178133342.db2.gz HCVPFZVZDFEODZ-DTWKUNHWSA-N 1 2 239.275 0.377 20 0 BCADLO CC[C@@H](C(=O)N1CCc2[nH]nnc2C1)[NH+](C)C ZINC000338962787 187328373 /nfs/dbraw/zinc/32/83/73/187328373.db2.gz GXQBSOFAOHWFDQ-JTQLQIEISA-N 1 2 237.307 0.030 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCCN2C(N)=O)cc[nH+]1 ZINC000267027258 178145514 /nfs/dbraw/zinc/14/55/14/178145514.db2.gz QYBXZPRKJIWLOC-JTQLQIEISA-N 1 2 248.286 0.872 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccon1 ZINC000576359339 365576339 /nfs/dbraw/zinc/57/63/39/365576339.db2.gz HIYQXLBOVRQTPM-UHFFFAOYSA-N 1 2 220.232 0.821 20 0 BCADLO Cc1cc(NCC(=O)N2CCOCC2)nc[nH+]1 ZINC000301998237 178154669 /nfs/dbraw/zinc/15/46/69/178154669.db2.gz IFJOCCIPQFNRLN-UHFFFAOYSA-N 1 2 236.275 0.056 20 0 BCADLO Cc1cc(NCCCNS(C)(=O)=O)nc[nH+]1 ZINC000225717615 178160587 /nfs/dbraw/zinc/16/05/87/178160587.db2.gz BXBURZZTVFBKGA-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO Cc1cc(NC[C@H](O)COCC2CC2)nc[nH+]1 ZINC000301242013 178168711 /nfs/dbraw/zinc/16/87/11/178168711.db2.gz ORZVPQOMCKWONB-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO Cc1cc(NC[C@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040727382 178170760 /nfs/dbraw/zinc/17/07/60/178170760.db2.gz HZXYBSPVGRYYFT-SECBINFHSA-N 1 2 241.316 0.632 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H](C)CO ZINC000576423443 365592552 /nfs/dbraw/zinc/59/25/52/365592552.db2.gz VAQNDRYUBZONNS-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO Cc1cc(N[C@H](C)C(N)=O)nc(C2CC2)[nH+]1 ZINC000116260445 178184428 /nfs/dbraw/zinc/18/44/28/178184428.db2.gz DZBHZQKTTFHKLI-SSDOTTSWSA-N 1 2 220.276 0.948 20 0 BCADLO Cc1cc(N[C@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000110578342 178189986 /nfs/dbraw/zinc/18/99/86/178189986.db2.gz VQNIJXRWKHKTBS-VIFPVBQESA-N 1 2 230.275 0.803 20 0 BCADLO Cc1cc(=O)c(C(=O)NC2C[NH+](C(C)C)C2)c[nH]1 ZINC000293663804 178193220 /nfs/dbraw/zinc/19/32/20/178193220.db2.gz HVJHUNSHPJYVNK-UHFFFAOYSA-N 1 2 249.314 0.918 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276443317 538932398 /nfs/dbraw/zinc/93/23/98/538932398.db2.gz MKQWTNDAOKCYEW-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276443317 538932400 /nfs/dbraw/zinc/93/24/00/538932400.db2.gz MKQWTNDAOKCYEW-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CNC(=O)CCSCc1[nH+]ccn1C ZINC000516775614 259301276 /nfs/dbraw/zinc/30/12/76/259301276.db2.gz WDIDLGQQDBPKJR-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C)[C@@H](O)C(F)(F)F ZINC000631234024 361778345 /nfs/dbraw/zinc/77/83/45/361778345.db2.gz CMQWVFGASLHQGD-HTRCEHHLSA-N 1 2 237.225 0.821 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H](O)C(F)(F)F ZINC000631233507 361765712 /nfs/dbraw/zinc/76/57/12/361765712.db2.gz APLISXNCLSGOKZ-SVRRBLITSA-N 1 2 237.225 0.821 20 0 BCADLO Cc1cc(N2CCC[C@](O)(CO)C2)c(C#N)c[nH+]1 ZINC000398973563 398231683 /nfs/dbraw/zinc/23/16/83/398231683.db2.gz BMGRWVIWZXGADR-CYBMUJFWSA-N 1 2 247.298 0.585 20 0 BCADLO Cn1cccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280076664 538936750 /nfs/dbraw/zinc/93/67/50/538936750.db2.gz JEILGQXBBIOVOP-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO Cn1cccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280076664 538936751 /nfs/dbraw/zinc/93/67/51/538936751.db2.gz JEILGQXBBIOVOP-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280019118 538936782 /nfs/dbraw/zinc/93/67/82/538936782.db2.gz UBGXAOCJDUVPPA-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280019118 538936783 /nfs/dbraw/zinc/93/67/83/538936783.db2.gz UBGXAOCJDUVPPA-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000561441597 323001639 /nfs/dbraw/zinc/00/16/39/323001639.db2.gz ZKSWZAPQWNEGBR-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO CC1(C)COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280518562 538937882 /nfs/dbraw/zinc/93/78/82/538937882.db2.gz HMSKQGPNJWNVHL-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC1(C)COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280518562 538937883 /nfs/dbraw/zinc/93/78/83/538937883.db2.gz HMSKQGPNJWNVHL-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO C[N@H+](CC(=O)N1CCc2[nH]nnc2C1)C1CCC1 ZINC000629965524 361813951 /nfs/dbraw/zinc/81/39/51/361813951.db2.gz VUGMUPKPMQVZNI-UHFFFAOYSA-N 1 2 249.318 0.174 20 0 BCADLO C[N@@H+](CC(=O)N1CCc2[nH]nnc2C1)C1CCC1 ZINC000629965524 361813954 /nfs/dbraw/zinc/81/39/54/361813954.db2.gz VUGMUPKPMQVZNI-UHFFFAOYSA-N 1 2 249.318 0.174 20 0 BCADLO Cc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)no1 ZINC000336713785 398240466 /nfs/dbraw/zinc/24/04/66/398240466.db2.gz SWGMBWUHJWLITR-NEPJUHHUSA-N 1 2 237.303 0.498 20 0 BCADLO Cc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)no1 ZINC000336713785 398240471 /nfs/dbraw/zinc/24/04/71/398240471.db2.gz SWGMBWUHJWLITR-NEPJUHHUSA-N 1 2 237.303 0.498 20 0 BCADLO C[N@H+](Cc1cscn1)[C@@H]1COC[C@H]1O ZINC000286149315 398249047 /nfs/dbraw/zinc/24/90/47/398249047.db2.gz VUWFTWSGSLFTFS-RKDXNWHRSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@@H]1COC[C@H]1O ZINC000286149315 398249053 /nfs/dbraw/zinc/24/90/53/398249053.db2.gz VUWFTWSGSLFTFS-RKDXNWHRSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000281337294 178313758 /nfs/dbraw/zinc/31/37/58/178313758.db2.gz QKSGIPDJDYPZBY-NSHDSACASA-N 1 2 248.330 0.053 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C2CC2)n1C ZINC000195070672 398256318 /nfs/dbraw/zinc/25/63/18/398256318.db2.gz SEGUVGUNEKKCGM-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C2CC2)n1C ZINC000195070672 398256322 /nfs/dbraw/zinc/25/63/22/398256322.db2.gz SEGUVGUNEKKCGM-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000290192876 538945991 /nfs/dbraw/zinc/94/59/91/538945991.db2.gz MCSGDXQNBPRFDK-VIFPVBQESA-N 1 2 222.292 0.972 20 0 BCADLO Cn1cncc1C(=O)NCc1c[nH+]cn1C ZINC000291138881 538947701 /nfs/dbraw/zinc/94/77/01/538947701.db2.gz FUAGJTBPWQRTIL-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO COCCCNC(=O)NCc1c[nH+]cn1C ZINC000290440740 538946677 /nfs/dbraw/zinc/94/66/77/538946677.db2.gz BWPFPOOLZZSSMQ-UHFFFAOYSA-N 1 2 226.280 0.256 20 0 BCADLO CCCCOCC(=O)NCc1c[nH+]cn1C ZINC000291104086 538947739 /nfs/dbraw/zinc/94/77/39/538947739.db2.gz BYGJRCSANTVUPK-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCCC1 ZINC000290609506 538947022 /nfs/dbraw/zinc/94/70/22/538947022.db2.gz KDSFJNMWIHVATB-UHFFFAOYSA-N 1 2 208.265 0.726 20 0 BCADLO COCC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000291105472 538947171 /nfs/dbraw/zinc/94/71/71/538947171.db2.gz BYXDTAQMTZJXQA-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCOCC(F)F ZINC000291364611 538947784 /nfs/dbraw/zinc/94/77/84/538947784.db2.gz YOFJWYGFUJJPQT-UHFFFAOYSA-N 1 2 247.245 0.708 20 0 BCADLO CC(C)OCC(=O)NCc1c[nH+]cn1C ZINC000291417045 538948078 /nfs/dbraw/zinc/94/80/78/538948078.db2.gz KDOXJFHSIOJIAQ-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO COCCCOCC(=O)NCc1c[nH+]cn1C ZINC000291505304 538948115 /nfs/dbraw/zinc/94/81/15/538948115.db2.gz SNPSSZLCPFAOPO-UHFFFAOYSA-N 1 2 241.291 0.089 20 0 BCADLO CC[C@@](C)(C[NH+]1CCS(=O)CC1)OC ZINC000602462885 349557081 /nfs/dbraw/zinc/55/70/81/349557081.db2.gz DMUBQBULPUMECE-JTQLQIEISA-N 1 2 219.350 0.866 20 0 BCADLO CC[C@@](C)(C[N@H+](CCOC)CC(=O)OC)OC ZINC000602470443 349542190 /nfs/dbraw/zinc/54/21/90/349542190.db2.gz YTHBZEZRJXZSEC-LBPRGKRZSA-N 1 2 247.335 0.923 20 0 BCADLO CC[C@@](C)(C[N@@H+](CCOC)CC(=O)OC)OC ZINC000602470443 349542193 /nfs/dbraw/zinc/54/21/93/349542193.db2.gz YTHBZEZRJXZSEC-LBPRGKRZSA-N 1 2 247.335 0.923 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CCC1 ZINC000335085202 136232663 /nfs/dbraw/zinc/23/26/63/136232663.db2.gz UZAXSXXPDXAMFL-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CCC1 ZINC000335085202 136232664 /nfs/dbraw/zinc/23/26/64/136232664.db2.gz UZAXSXXPDXAMFL-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO COC[C@@]1(C)CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000626176404 346823882 /nfs/dbraw/zinc/82/38/82/346823882.db2.gz MTPRRWLZWKCVIR-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CCNC(=O)C1CN(c2cc[nH+]c(C)n2)C1 ZINC000176853638 538950485 /nfs/dbraw/zinc/95/04/85/538950485.db2.gz FVSLYTDBFIMHGY-UHFFFAOYSA-N 1 2 220.276 0.357 20 0 BCADLO C[C@H]1CN(C(=O)c2ccco2)CC[N@@H+]1CCO ZINC000188749338 346839647 /nfs/dbraw/zinc/83/96/47/346839647.db2.gz OLVCQETZCJPMFK-JTQLQIEISA-N 1 2 238.287 0.418 20 0 BCADLO C[C@H]1CN(C(=O)c2ccco2)CC[N@H+]1CCO ZINC000188749338 346839648 /nfs/dbraw/zinc/83/96/48/346839648.db2.gz OLVCQETZCJPMFK-JTQLQIEISA-N 1 2 238.287 0.418 20 0 BCADLO CCOC1CC([N@H+](C)Cc2nncn2C)C1 ZINC000561924327 323008728 /nfs/dbraw/zinc/00/87/28/323008728.db2.gz PHCVDTNZJBUCBZ-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC1CC([N@@H+](C)Cc2nncn2C)C1 ZINC000561924327 323008729 /nfs/dbraw/zinc/00/87/29/323008729.db2.gz PHCVDTNZJBUCBZ-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1nc(=NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n(C)[nH]1 ZINC000629981888 361828533 /nfs/dbraw/zinc/82/85/33/361828533.db2.gz PIDFIFKANQBGRN-ZETCQYMHSA-N 1 2 248.290 0.086 20 0 BCADLO Cc1nc(=NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n(C)[nH]1 ZINC000629981888 361828537 /nfs/dbraw/zinc/82/85/37/361828537.db2.gz PIDFIFKANQBGRN-ZETCQYMHSA-N 1 2 248.290 0.086 20 0 BCADLO CC(C)Oc1cc[nH+]c(CN2CCNC(=O)C2)c1 ZINC000649476078 398273206 /nfs/dbraw/zinc/27/32/06/398273206.db2.gz VRIARBPHANNBQR-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc[nH]n1 ZINC000189099613 346858267 /nfs/dbraw/zinc/85/82/67/346858267.db2.gz XZLHIMRIYZLOMY-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc[nH]n1 ZINC000189099613 346858270 /nfs/dbraw/zinc/85/82/70/346858270.db2.gz XZLHIMRIYZLOMY-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC000600146461 342690045 /nfs/dbraw/zinc/69/00/45/342690045.db2.gz WTLBXSNCIDRXEY-BJOHPYRUSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000600173376 342695637 /nfs/dbraw/zinc/69/56/37/342695637.db2.gz NPOKWWKTQOOYGN-KPWYMIHSSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000600173376 342695639 /nfs/dbraw/zinc/69/56/39/342695639.db2.gz NPOKWWKTQOOYGN-KPWYMIHSSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H]3C[C@H]2C[S@]3=O)[nH+]1 ZINC000600173877 342695878 /nfs/dbraw/zinc/69/58/78/342695878.db2.gz QESSWYHBEZJATB-KOSWAMCASA-N 1 2 225.317 0.423 20 0 BCADLO C[C@@H](CSCCF)[NH2+]Cc1c[nH]nn1 ZINC000600176328 342696516 /nfs/dbraw/zinc/69/65/16/342696516.db2.gz HDAMYCZCYFSNES-ZETCQYMHSA-N 1 2 218.301 0.986 20 0 BCADLO C[C@@H](CSCCF)[NH2+]Cc1cn[nH]n1 ZINC000600176328 342696518 /nfs/dbraw/zinc/69/65/18/342696518.db2.gz HDAMYCZCYFSNES-ZETCQYMHSA-N 1 2 218.301 0.986 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)[C@H]1SC ZINC000600177857 342696970 /nfs/dbraw/zinc/69/69/70/342696970.db2.gz UMTCZADHRXICFM-IVZWLZJFSA-N 1 2 242.348 0.803 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)[C@H]1SC ZINC000600177857 342696972 /nfs/dbraw/zinc/69/69/72/342696972.db2.gz UMTCZADHRXICFM-IVZWLZJFSA-N 1 2 242.348 0.803 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)C1=O ZINC000618095249 344001482 /nfs/dbraw/zinc/00/14/82/344001482.db2.gz HBFKVIHVVNFLKI-NXEZZACHSA-N 1 2 235.287 0.567 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000309588626 342716462 /nfs/dbraw/zinc/71/64/62/342716462.db2.gz TVVCIOAXOXSQPX-YIZRAAEISA-N 1 2 229.276 0.479 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2CC(=O)N2)cc(C)[nH+]1 ZINC000616363126 342721554 /nfs/dbraw/zinc/72/15/54/342721554.db2.gz IJIWHQKBAIIMNT-JTQLQIEISA-N 1 2 233.271 0.203 20 0 BCADLO CCNC(=O)CN(C)c1cc(C)[nH+]cn1 ZINC000602592582 349615617 /nfs/dbraw/zinc/61/56/17/349615617.db2.gz FHFUWAABBDFGIJ-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO COCc1nc(C[NH2+][C@H](COC)C2CC2)no1 ZINC000183442944 538967256 /nfs/dbraw/zinc/96/72/56/538967256.db2.gz LMJWVJGTGOZBTP-SECBINFHSA-N 1 2 241.291 0.731 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@](O)(CC)C2)[nH]1 ZINC000332736404 342774331 /nfs/dbraw/zinc/77/43/31/342774331.db2.gz WKOFUETZVHXJBF-LLVKDONJSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@](O)(CC)C2)[nH]1 ZINC000332736404 342774333 /nfs/dbraw/zinc/77/43/33/342774333.db2.gz WKOFUETZVHXJBF-LLVKDONJSA-N 1 2 224.308 0.714 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCC1CSC1 ZINC000616397634 342777729 /nfs/dbraw/zinc/77/77/29/342777729.db2.gz RIASUWJWRBDIOE-UHFFFAOYSA-N 1 2 239.344 0.832 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1c1c[nH]nn1 ZINC000621317051 342787196 /nfs/dbraw/zinc/78/71/96/342787196.db2.gz MCCHBZZEGFJVIT-GXSJLCMTSA-N 1 2 249.274 0.407 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1c1c[nH]nn1 ZINC000621317051 342787197 /nfs/dbraw/zinc/78/71/97/342787197.db2.gz MCCHBZZEGFJVIT-GXSJLCMTSA-N 1 2 249.274 0.407 20 0 BCADLO Cc1ccc2[nH+]c(CN3CCNC(=O)C3)cn2c1 ZINC000007487572 342791800 /nfs/dbraw/zinc/79/18/00/342791800.db2.gz JOKXMHQEVJTXMV-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO c1c[nH+]c(CN2CCO[C@@]3(CCOC3)C2)[nH]1 ZINC000185214896 538970261 /nfs/dbraw/zinc/97/02/61/538970261.db2.gz AKZLOXCAPOBOKI-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO [NH3+][C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000031992688 342796057 /nfs/dbraw/zinc/79/60/57/342796057.db2.gz BHAORXXQBIIRLX-SNVBAGLBSA-N 1 2 218.256 0.315 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000630049762 361912584 /nfs/dbraw/zinc/91/25/84/361912584.db2.gz XLNUTAIZRXSTJW-JTQLQIEISA-N 1 2 229.320 0.373 20 0 BCADLO CCNC(=O)CNc1cc(CC)[nH+]cn1 ZINC000040765131 538972774 /nfs/dbraw/zinc/97/27/74/538972774.db2.gz RZZUHBRLNGBUGN-UHFFFAOYSA-N 1 2 208.265 0.587 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2CCOC[C@H]2O)c1Cl ZINC000624686983 342816320 /nfs/dbraw/zinc/81/63/20/342816320.db2.gz PAEQBDYDXUCPNS-PHDIDXHHSA-N 1 2 244.682 0.274 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2CCOC[C@H]2O)c1Cl ZINC000624686983 342816322 /nfs/dbraw/zinc/81/63/22/342816322.db2.gz PAEQBDYDXUCPNS-PHDIDXHHSA-N 1 2 244.682 0.274 20 0 BCADLO CC(C)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624731807 342823609 /nfs/dbraw/zinc/82/36/09/342823609.db2.gz HCEVGJQEXPVOOL-NSHDSACASA-N 1 2 243.351 0.614 20 0 BCADLO CC(C)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624731807 342823610 /nfs/dbraw/zinc/82/36/10/342823610.db2.gz HCEVGJQEXPVOOL-NSHDSACASA-N 1 2 243.351 0.614 20 0 BCADLO C/C=C/CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624732222 342823756 /nfs/dbraw/zinc/82/37/56/342823756.db2.gz PVLZWTUORPBMQU-FSIBCCDJSA-N 1 2 227.308 0.192 20 0 BCADLO C/C=C/CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732222 342823759 /nfs/dbraw/zinc/82/37/59/342823759.db2.gz PVLZWTUORPBMQU-FSIBCCDJSA-N 1 2 227.308 0.192 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624739352 342824636 /nfs/dbraw/zinc/82/46/36/342824636.db2.gz PERTUCBFCPIARY-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624739352 342824637 /nfs/dbraw/zinc/82/46/37/342824637.db2.gz PERTUCBFCPIARY-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624739348 342824639 /nfs/dbraw/zinc/82/46/39/342824639.db2.gz PERTUCBFCPIARY-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624739348 342824640 /nfs/dbraw/zinc/82/46/40/342824640.db2.gz PERTUCBFCPIARY-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC2CC2)[C@@H](C)C1 ZINC000336435748 342805812 /nfs/dbraw/zinc/80/58/12/342805812.db2.gz KVFCCXNBOPNZQG-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC2CC2)[C@@H](C)C1 ZINC000336435748 342805813 /nfs/dbraw/zinc/80/58/13/342805813.db2.gz KVFCCXNBOPNZQG-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO CCN1CCC[N@H+](Cc2cncnc2)CC1=O ZINC000191538758 538992363 /nfs/dbraw/zinc/99/23/63/538992363.db2.gz CBAGUUJICIHEEE-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CCN1CCC[N@@H+](Cc2cncnc2)CC1=O ZINC000191538758 538992365 /nfs/dbraw/zinc/99/23/65/538992365.db2.gz CBAGUUJICIHEEE-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CCOC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000188866585 538980155 /nfs/dbraw/zinc/98/01/55/538980155.db2.gz QPOISUAGNGCYLD-SECBINFHSA-N 1 2 239.323 0.772 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCCCF ZINC000361617219 398294316 /nfs/dbraw/zinc/29/43/16/398294316.db2.gz UQGATAVNAMFGIG-UHFFFAOYSA-N 1 2 228.271 0.969 20 0 BCADLO CN(c1nc[nH+]c(N)c1Cl)[C@@H]1CCNC1=O ZINC000381677800 539005930 /nfs/dbraw/zinc/00/59/30/539005930.db2.gz XOCRXJWFVKMSPT-RXMQYKEDSA-N 1 2 241.682 0.037 20 0 BCADLO Cc1nsc(N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000381832109 539007593 /nfs/dbraw/zinc/00/75/93/539007593.db2.gz NWNMXQBASAMPNW-MRVPVSSYSA-N 1 2 235.316 0.892 20 0 BCADLO COC[C@H](C[NH2+][C@@H](C)c1nc(C)no1)OC ZINC000381329387 538998456 /nfs/dbraw/zinc/99/84/56/538998456.db2.gz SLBAIALSFFQQGS-CBAPKCEASA-N 1 2 229.280 0.690 20 0 BCADLO CCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000381417059 539000238 /nfs/dbraw/zinc/00/02/38/539000238.db2.gz WKZWLASTYWXEBM-UHFFFAOYSA-N 1 2 225.296 0.116 20 0 BCADLO CCOCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000381417059 539000240 /nfs/dbraw/zinc/00/02/40/539000240.db2.gz WKZWLASTYWXEBM-UHFFFAOYSA-N 1 2 225.296 0.116 20 0 BCADLO CCc1cnc(C[NH2+][C@](C)(CC)C(N)=O)o1 ZINC000390444446 539022070 /nfs/dbraw/zinc/02/20/70/539022070.db2.gz WYEPYERDQJWUHG-LLVKDONJSA-N 1 2 225.292 0.981 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000390598716 539026317 /nfs/dbraw/zinc/02/63/17/539026317.db2.gz AVRXBHYRZJOTSI-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000387718355 539014021 /nfs/dbraw/zinc/01/40/21/539014021.db2.gz AEFWRBXVAKVBTI-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000387718355 539014022 /nfs/dbraw/zinc/01/40/22/539014022.db2.gz AEFWRBXVAKVBTI-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387918604 539014456 /nfs/dbraw/zinc/01/44/56/539014456.db2.gz OQTFVYSIUYQDQH-UWVGGRQHSA-N 1 2 239.323 0.286 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387918604 539014458 /nfs/dbraw/zinc/01/44/58/539014458.db2.gz OQTFVYSIUYQDQH-UWVGGRQHSA-N 1 2 239.323 0.286 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000389740420 539017605 /nfs/dbraw/zinc/01/76/05/539017605.db2.gz YMMLQPPJKWSZOS-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000389740420 539017607 /nfs/dbraw/zinc/01/76/07/539017607.db2.gz YMMLQPPJKWSZOS-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO CCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000640753123 361990516 /nfs/dbraw/zinc/99/05/16/361990516.db2.gz LDKBELLGZFOQGD-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO C[C@@H](O)CCCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755255 361993519 /nfs/dbraw/zinc/99/35/19/361993519.db2.gz VZPIXVMCYQQQOD-SECBINFHSA-N 1 2 235.291 0.753 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000191711895 398302731 /nfs/dbraw/zinc/30/27/31/398302731.db2.gz QEEGEOJCCBTCEZ-DJLDLDEBSA-N 1 2 203.282 0.951 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(C)(C)O ZINC000081676631 398311308 /nfs/dbraw/zinc/31/13/08/398311308.db2.gz KPMLXPZLTJQJRB-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(C)(C)O ZINC000081676631 398311310 /nfs/dbraw/zinc/31/13/10/398311310.db2.gz KPMLXPZLTJQJRB-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C)c1 ZINC000093103132 398308404 /nfs/dbraw/zinc/30/84/04/398308404.db2.gz CJAXQXYBYAHIJH-MNOVXSKESA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C)c1 ZINC000093103132 398308410 /nfs/dbraw/zinc/30/84/10/398308410.db2.gz CJAXQXYBYAHIJH-MNOVXSKESA-N 1 2 238.287 0.133 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@H]1CCCO1 ZINC000625116015 342873747 /nfs/dbraw/zinc/87/37/47/342873747.db2.gz VDIGDBVIUVYVGN-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000335645121 136243650 /nfs/dbraw/zinc/24/36/50/136243650.db2.gz ABSPENIHJBQIOO-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000335645121 136243651 /nfs/dbraw/zinc/24/36/51/136243651.db2.gz ABSPENIHJBQIOO-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccco1 ZINC000015306563 342894422 /nfs/dbraw/zinc/89/44/22/342894422.db2.gz JLWHZVWBLQOOBS-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccco1 ZINC000015306563 342894423 /nfs/dbraw/zinc/89/44/23/342894423.db2.gz JLWHZVWBLQOOBS-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO O[C@H]1CC[N@H+](CCNCc2nccs2)C1 ZINC000623836601 342894637 /nfs/dbraw/zinc/89/46/37/342894637.db2.gz BGUZNBBAMFEIIW-VIFPVBQESA-N 1 2 227.333 0.299 20 0 BCADLO O[C@H]1CC[N@@H+](CCNCc2nccs2)C1 ZINC000623836601 342894638 /nfs/dbraw/zinc/89/46/38/342894638.db2.gz BGUZNBBAMFEIIW-VIFPVBQESA-N 1 2 227.333 0.299 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1cnns1 ZINC000625169126 342899309 /nfs/dbraw/zinc/89/93/09/342899309.db2.gz ZKQQHQVISMJVEP-UHFFFAOYSA-N 1 2 240.332 0.592 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1cnns1 ZINC000625169126 342899310 /nfs/dbraw/zinc/89/93/10/342899310.db2.gz ZKQQHQVISMJVEP-UHFFFAOYSA-N 1 2 240.332 0.592 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)ncn1 ZINC000332379653 398313255 /nfs/dbraw/zinc/31/32/55/398313255.db2.gz YMHNUUHQDMPBPE-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)ncn1 ZINC000332379653 398313256 /nfs/dbraw/zinc/31/32/56/398313256.db2.gz YMHNUUHQDMPBPE-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO C[C@@H]1[C@H]([NH2+]Cc2nccs2)CCS1(=O)=O ZINC000309098263 342890612 /nfs/dbraw/zinc/89/06/12/342890612.db2.gz DOHGREQCVPFWHD-HTQZYQBOSA-N 1 2 246.357 0.808 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2ccon2)nn1 ZINC000625185253 342904673 /nfs/dbraw/zinc/90/46/73/342904673.db2.gz PWYZAXNVHXTFPX-UHFFFAOYSA-N 1 2 221.264 0.478 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2ccon2)nn1 ZINC000625185253 342904674 /nfs/dbraw/zinc/90/46/74/342904674.db2.gz PWYZAXNVHXTFPX-UHFFFAOYSA-N 1 2 221.264 0.478 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H](O)CC1(O)CCC1 ZINC000625187205 342905037 /nfs/dbraw/zinc/90/50/37/342905037.db2.gz YYNWVPAUQRIPAP-LLVKDONJSA-N 1 2 240.303 0.772 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H](O)CC1(O)CCC1 ZINC000625187205 342905038 /nfs/dbraw/zinc/90/50/38/342905038.db2.gz YYNWVPAUQRIPAP-LLVKDONJSA-N 1 2 240.303 0.772 20 0 BCADLO COC(=O)CNC(=O)C[N@H+](C)Cc1ccco1 ZINC000016381235 342910037 /nfs/dbraw/zinc/91/00/37/342910037.db2.gz HSCHKHNWHRYPGP-UHFFFAOYSA-N 1 2 240.259 0.001 20 0 BCADLO COC(=O)CNC(=O)C[N@@H+](C)Cc1ccco1 ZINC000016381235 342910038 /nfs/dbraw/zinc/91/00/38/342910038.db2.gz HSCHKHNWHRYPGP-UHFFFAOYSA-N 1 2 240.259 0.001 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660854 398323246 /nfs/dbraw/zinc/32/32/46/398323246.db2.gz PQZWOIGKBWJZBO-ZJUUUORDSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660854 398323251 /nfs/dbraw/zinc/32/32/51/398323251.db2.gz PQZWOIGKBWJZBO-ZJUUUORDSA-N 1 2 239.323 0.599 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]Cc1csnn1 ZINC000037155892 342923322 /nfs/dbraw/zinc/92/33/22/342923322.db2.gz SMIHCMMGLNLIHV-MRVPVSSYSA-N 1 2 223.305 0.913 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cn(C2CC2)nn1 ZINC000625238783 342927743 /nfs/dbraw/zinc/92/77/43/342927743.db2.gz GXURBOXXVRRJDK-UHFFFAOYSA-N 1 2 246.274 0.277 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000271011166 187335934 /nfs/dbraw/zinc/33/59/34/187335934.db2.gz XMOAROVRJGYPIX-VIFPVBQESA-N 1 2 223.276 0.757 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC(=O)N(C)C ZINC000351619724 136248117 /nfs/dbraw/zinc/24/81/17/136248117.db2.gz KXOYVFHDECIQJV-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC(=O)N(C)C ZINC000351619724 136248118 /nfs/dbraw/zinc/24/81/18/136248118.db2.gz KXOYVFHDECIQJV-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000174618752 346885028 /nfs/dbraw/zinc/88/50/28/346885028.db2.gz COVXGEUTMQKSDB-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000174618752 346885033 /nfs/dbraw/zinc/88/50/33/346885033.db2.gz COVXGEUTMQKSDB-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO COC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000602637391 349651129 /nfs/dbraw/zinc/65/11/29/349651129.db2.gz XOFAXNOZTJRCPD-LMLFDSFASA-N 1 2 227.304 0.810 20 0 BCADLO Cn1nncc1C[NH+]1CC2(C1)CCOC2 ZINC000354765175 398329847 /nfs/dbraw/zinc/32/98/47/398329847.db2.gz BUCLIVRJCGTXDA-UHFFFAOYSA-N 1 2 208.265 0.037 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000602642928 349655308 /nfs/dbraw/zinc/65/53/08/349655308.db2.gz CUMOILMWEPHALY-IVZWLZJFSA-N 1 2 242.319 0.585 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000602643665 349656242 /nfs/dbraw/zinc/65/62/42/349656242.db2.gz HERCKPLIUINHJF-MWLCHTKSSA-N 1 2 245.319 0.579 20 0 BCADLO C[NH+](C)CCN1N=C(c2ccncc2)CC1=O ZINC000634589717 342936494 /nfs/dbraw/zinc/93/64/94/342936494.db2.gz GQUGRXZDIBRVCW-UHFFFAOYSA-N 1 2 232.287 0.580 20 0 BCADLO C[NH+](C)CCn1[nH]c(-c2ccncc2)cc1=O ZINC000634589717 342936496 /nfs/dbraw/zinc/93/64/96/342936496.db2.gz GQUGRXZDIBRVCW-UHFFFAOYSA-N 1 2 232.287 0.580 20 0 BCADLO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651283 136248996 /nfs/dbraw/zinc/24/89/96/136248996.db2.gz QRZBICDREMEOCQ-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651283 136248997 /nfs/dbraw/zinc/24/89/97/136248997.db2.gz QRZBICDREMEOCQ-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1[nH]ncc1C ZINC000289511189 398337814 /nfs/dbraw/zinc/33/78/14/398337814.db2.gz NASPJLNXRHVUJT-VIFPVBQESA-N 1 2 245.348 0.631 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289511189 398337815 /nfs/dbraw/zinc/33/78/15/398337815.db2.gz NASPJLNXRHVUJT-VIFPVBQESA-N 1 2 245.348 0.631 20 0 BCADLO Cc1noc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000351727637 136249975 /nfs/dbraw/zinc/24/99/75/136249975.db2.gz YIWPWFGMZDUJDU-UHFFFAOYSA-N 1 2 221.220 0.094 20 0 BCADLO CC(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000169798146 398342470 /nfs/dbraw/zinc/34/24/70/398342470.db2.gz XDMVYGVMKWDWJY-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc1C ZINC000095978526 398345059 /nfs/dbraw/zinc/34/50/59/398345059.db2.gz CNESHNWMQNISCR-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@H+]2C)nc1C ZINC000095978526 398345060 /nfs/dbraw/zinc/34/50/60/398345060.db2.gz CNESHNWMQNISCR-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000602681200 349673601 /nfs/dbraw/zinc/67/36/01/349673601.db2.gz MQXKKDPEFWHOEC-UWVGGRQHSA-N 1 2 240.307 0.596 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493836681 529497927 /nfs/dbraw/zinc/49/79/27/529497927.db2.gz MZXIFELQZMFDFO-MOVJSRMASA-N 1 2 223.276 0.652 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H]1CN(C)C(=O)O1)C(=O)OC ZINC000496728653 529506240 /nfs/dbraw/zinc/50/62/40/529506240.db2.gz VZLDSQVGFBPCJR-LDYMZIIASA-N 1 2 244.291 0.368 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CC2 ZINC000580316415 346902694 /nfs/dbraw/zinc/90/26/94/346902694.db2.gz BWMMMIPLDHEQPF-VIFPVBQESA-N 1 2 205.261 0.631 20 0 BCADLO CC[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492913815 529509985 /nfs/dbraw/zinc/50/99/85/529509985.db2.gz RUZQBGUCHQESHK-DOGVGXBMSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000351803244 136253649 /nfs/dbraw/zinc/25/36/49/136253649.db2.gz NIYINBHSKBJYQC-QWRGUYRKSA-N 1 2 226.320 0.481 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000351782326 136254084 /nfs/dbraw/zinc/25/40/84/136254084.db2.gz PYDXMTBIWYEISX-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000351782326 136254085 /nfs/dbraw/zinc/25/40/85/136254085.db2.gz PYDXMTBIWYEISX-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cn1 ZINC000163755887 349701538 /nfs/dbraw/zinc/70/15/38/349701538.db2.gz ORFIARLWGXJICW-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cn1 ZINC000163755887 349701539 /nfs/dbraw/zinc/70/15/39/349701539.db2.gz ORFIARLWGXJICW-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO COC1CC([N@H+](C)Cc2ncnn2CCF)C1 ZINC000352201977 536718968 /nfs/dbraw/zinc/71/89/68/536718968.db2.gz HOWKSGQFAANLGK-UHFFFAOYSA-N 1 2 242.298 0.857 20 0 BCADLO COC1CC([N@@H+](C)Cc2ncnn2CCF)C1 ZINC000352201977 536718970 /nfs/dbraw/zinc/71/89/70/536718970.db2.gz HOWKSGQFAANLGK-UHFFFAOYSA-N 1 2 242.298 0.857 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(C)(O)C1 ZINC000492905227 529551295 /nfs/dbraw/zinc/55/12/95/529551295.db2.gz ZEQYBANCSNYHIH-SNAWJCMRSA-N 1 2 235.287 0.509 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@](C)(O)C1 ZINC000493321510 529552006 /nfs/dbraw/zinc/55/20/06/529552006.db2.gz MFOHKEVGIIBJFE-MUBLQREKSA-N 1 2 249.314 0.900 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)CO ZINC000492849370 529552573 /nfs/dbraw/zinc/55/25/73/529552573.db2.gz CDSGMUCISPZFCW-AATRIKPKSA-N 1 2 237.303 0.803 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCCCCO ZINC000493597597 529553365 /nfs/dbraw/zinc/55/33/65/529553365.db2.gz YXDZDSYARIAIRV-AATRIKPKSA-N 1 2 237.303 0.805 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NOCCOC ZINC000492956884 529554674 /nfs/dbraw/zinc/55/46/74/529554674.db2.gz RHQMRYOBCQMRNV-SNAWJCMRSA-N 1 2 239.275 0.610 20 0 BCADLO C[C@H](C1CC1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634597718 342974992 /nfs/dbraw/zinc/97/49/92/342974992.db2.gz RYURLSXTDFONPM-VXNVDRBHSA-N 1 2 207.277 0.593 20 0 BCADLO CCOC(=O)C1(C)CC([NH2+]Cc2c[nH]nn2)C1 ZINC000602715473 349706267 /nfs/dbraw/zinc/70/62/67/349706267.db2.gz NIBZWHGEKPZJHC-UHFFFAOYSA-N 1 2 238.291 0.626 20 0 BCADLO CCOC(=O)C1(C)CC([NH2+]Cc2cn[nH]n2)C1 ZINC000602715473 349706269 /nfs/dbraw/zinc/70/62/69/349706269.db2.gz NIBZWHGEKPZJHC-UHFFFAOYSA-N 1 2 238.291 0.626 20 0 BCADLO COC1CC([N@H+](C)Cc2nnc(C)n2C)C1 ZINC000352222475 536720157 /nfs/dbraw/zinc/72/01/57/536720157.db2.gz RBXPQXJYHKLMSD-UHFFFAOYSA-N 1 2 224.308 0.733 20 0 BCADLO COC1CC([N@@H+](C)Cc2nnc(C)n2C)C1 ZINC000352222475 536720164 /nfs/dbraw/zinc/72/01/64/536720164.db2.gz RBXPQXJYHKLMSD-UHFFFAOYSA-N 1 2 224.308 0.733 20 0 BCADLO CCn1cc[nH+]c1C=CC(=O)Nc1n[nH]c(C)n1 ZINC000493411032 529560930 /nfs/dbraw/zinc/56/09/30/529560930.db2.gz AZTQBWPTKJLBDL-PLNGDYQASA-N 1 2 246.274 0.981 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(Cc3cocn3)C[C@H]21 ZINC000356360053 187212004 /nfs/dbraw/zinc/21/20/04/187212004.db2.gz IQVOOJQCUYICOL-MNOVXSKESA-N 1 2 223.276 0.189 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(Cc3cocn3)C[C@H]21 ZINC000356360053 187212005 /nfs/dbraw/zinc/21/20/05/187212005.db2.gz IQVOOJQCUYICOL-MNOVXSKESA-N 1 2 223.276 0.189 20 0 BCADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(=O)NC ZINC000493634490 529573222 /nfs/dbraw/zinc/57/32/22/529573222.db2.gz SNVMRLVQJUHNMH-PULIVWKDSA-N 1 2 236.275 0.064 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493703768 529565098 /nfs/dbraw/zinc/56/50/98/529565098.db2.gz GBQNMPKKKVBZSS-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000602778437 349744997 /nfs/dbraw/zinc/74/49/97/349744997.db2.gz YDTGXMAZXPAIKQ-NSHDSACASA-N 1 2 238.335 0.246 20 0 BCADLO CCN(C#N)CC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000602778437 349745002 /nfs/dbraw/zinc/74/50/02/349745002.db2.gz YDTGXMAZXPAIKQ-NSHDSACASA-N 1 2 238.335 0.246 20 0 BCADLO COC(=O)C(C)(C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000602773598 349727048 /nfs/dbraw/zinc/72/70/48/349727048.db2.gz STRAEOKCGLQPCO-UHFFFAOYSA-N 1 2 224.260 0.828 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000602764374 349734250 /nfs/dbraw/zinc/73/42/50/349734250.db2.gz AMWQLJPPTGKEHT-QWRGUYRKSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000602764374 349734252 /nfs/dbraw/zinc/73/42/52/349734252.db2.gz AMWQLJPPTGKEHT-QWRGUYRKSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000602764372 349734332 /nfs/dbraw/zinc/73/43/32/349734332.db2.gz AMWQLJPPTGKEHT-GHMZBOCLSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000602764372 349734334 /nfs/dbraw/zinc/73/43/34/349734334.db2.gz AMWQLJPPTGKEHT-GHMZBOCLSA-N 1 2 211.309 0.899 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H](C)C1(F)F ZINC000625650455 344023821 /nfs/dbraw/zinc/02/38/21/344023821.db2.gz RVNQKIAGZNHESR-OCAPTIKFSA-N 1 2 245.277 0.933 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H](C)C1(F)F ZINC000625650455 344023822 /nfs/dbraw/zinc/02/38/22/344023822.db2.gz RVNQKIAGZNHESR-OCAPTIKFSA-N 1 2 245.277 0.933 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnn1CC1CC1 ZINC000668048711 488195137 /nfs/dbraw/zinc/19/51/37/488195137.db2.gz NZGLDXURPAFTGU-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnn1CC1CC1 ZINC000668048711 488195139 /nfs/dbraw/zinc/19/51/39/488195139.db2.gz NZGLDXURPAFTGU-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO COC(=O)c1cc(C(C)(C)[NH2+]CC(C)=O)no1 ZINC000602827269 349765377 /nfs/dbraw/zinc/76/53/77/349765377.db2.gz CGEHCWYJUYDWSO-UHFFFAOYSA-N 1 2 240.259 0.875 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000602783697 349748677 /nfs/dbraw/zinc/74/86/77/349748677.db2.gz FKURIUHICQAPNK-GHMZBOCLSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000602783697 349748679 /nfs/dbraw/zinc/74/86/79/349748679.db2.gz FKURIUHICQAPNK-GHMZBOCLSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@H](COC)C1 ZINC000602786396 349750574 /nfs/dbraw/zinc/75/05/74/349750574.db2.gz WANXFIHVHADZBI-NSHDSACASA-N 1 2 227.308 0.137 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@H](COC)C1 ZINC000602786396 349750575 /nfs/dbraw/zinc/75/05/75/349750575.db2.gz WANXFIHVHADZBI-NSHDSACASA-N 1 2 227.308 0.137 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000602810801 349754499 /nfs/dbraw/zinc/75/44/99/349754499.db2.gz NWOKDFOGDAZLHV-VXGBXAGGSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000602810801 349754501 /nfs/dbraw/zinc/75/45/01/349754501.db2.gz NWOKDFOGDAZLHV-VXGBXAGGSA-N 1 2 241.335 0.261 20 0 BCADLO C[C@H]1C[NH+](Cc2nnnn2C)C[C@H](C)C1(F)F ZINC000625650456 344023760 /nfs/dbraw/zinc/02/37/60/344023760.db2.gz RVNQKIAGZNHESR-YUMQZZPRSA-N 1 2 245.277 0.933 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000602818258 349758406 /nfs/dbraw/zinc/75/84/06/349758406.db2.gz MKMIPOVRWKSBRF-LBPRGKRZSA-N 1 2 223.320 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000602818258 349758409 /nfs/dbraw/zinc/75/84/09/349758409.db2.gz MKMIPOVRWKSBRF-LBPRGKRZSA-N 1 2 223.320 0.900 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H]1CCSC1 ZINC000162668704 349773310 /nfs/dbraw/zinc/77/33/10/349773310.db2.gz ZSOAYRPXVBLQBV-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000162668704 349773312 /nfs/dbraw/zinc/77/33/12/349773312.db2.gz ZSOAYRPXVBLQBV-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000162668567 349773367 /nfs/dbraw/zinc/77/33/67/349773367.db2.gz ZSOAYRPXVBLQBV-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000162668567 349773368 /nfs/dbraw/zinc/77/33/68/349773368.db2.gz ZSOAYRPXVBLQBV-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H](c1ccncc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627094 343037035 /nfs/dbraw/zinc/03/70/35/343037035.db2.gz VOGNWSNYBOOIBG-KOLCDFICSA-N 1 2 244.298 0.950 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000169798381 343045351 /nfs/dbraw/zinc/04/53/51/343045351.db2.gz HFFWLFSQRLLAHH-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO O=c1c2n[nH]cc2cnn1CCCn1cc[nH+]c1 ZINC000634634350 343047406 /nfs/dbraw/zinc/04/74/06/343047406.db2.gz VTXMXUCOXSYVNT-UHFFFAOYSA-N 1 2 244.258 0.406 20 0 BCADLO C[C@](O)(C[C@@H](O)Cn1cc[nH+]c1)C1CC1 ZINC000634636952 343050423 /nfs/dbraw/zinc/05/04/23/343050423.db2.gz MSJSXALDBAHQAP-MNOVXSKESA-N 1 2 210.277 0.795 20 0 BCADLO Cc1ccoc1C[NH+]1CCN(CCO)CC1 ZINC000022891928 343056598 /nfs/dbraw/zinc/05/65/98/343056598.db2.gz NNYRUBZVGIYDEU-UHFFFAOYSA-N 1 2 224.304 0.698 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ncccn1 ZINC000576834342 365699115 /nfs/dbraw/zinc/69/91/15/365699115.db2.gz JOSXMLWUVJENDA-GFCCVEGCSA-N 1 2 232.287 0.331 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1ncccn1 ZINC000576834342 365699118 /nfs/dbraw/zinc/69/91/18/365699118.db2.gz JOSXMLWUVJENDA-GFCCVEGCSA-N 1 2 232.287 0.331 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)no1 ZINC000235941703 343067395 /nfs/dbraw/zinc/06/73/95/343067395.db2.gz UZRJTGNBCZNPRT-HTQZYQBOSA-N 1 2 211.265 0.627 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C[C@H](O)C2(C)C)no1 ZINC000235943173 343067437 /nfs/dbraw/zinc/06/74/37/343067437.db2.gz UZRJTGNBCZNPRT-YUMQZZPRSA-N 1 2 211.265 0.627 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000119227860 343070073 /nfs/dbraw/zinc/07/00/73/343070073.db2.gz ZGJGMYQHJPIXAU-LLVKDONJSA-N 1 2 244.335 0.642 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000175100091 362026491 /nfs/dbraw/zinc/02/64/91/362026491.db2.gz NYDKTBKEAXPAOD-VHSXEESVSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000175100091 362026496 /nfs/dbraw/zinc/02/64/96/362026496.db2.gz NYDKTBKEAXPAOD-VHSXEESVSA-N 1 2 244.360 0.281 20 0 BCADLO CC(C)=CCn1cc(C[N@H+](C)CCO)nn1 ZINC000640844308 362062935 /nfs/dbraw/zinc/06/29/35/362062935.db2.gz AWPHLABWVLYCJY-UHFFFAOYSA-N 1 2 224.308 0.668 20 0 BCADLO CC(C)=CCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640844308 362062941 /nfs/dbraw/zinc/06/29/41/362062941.db2.gz AWPHLABWVLYCJY-UHFFFAOYSA-N 1 2 224.308 0.668 20 0 BCADLO Cn1cc[nH+]c1Cn1cc(CC(C)(C)CO)nn1 ZINC000640953760 362096449 /nfs/dbraw/zinc/09/64/49/362096449.db2.gz MRIZJWPGKMGIPI-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO C[C@@H](O)CCCc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953871 362098232 /nfs/dbraw/zinc/09/82/32/362098232.db2.gz OPHUTBOGZAHMTL-SNVBAGLBSA-N 1 2 249.318 0.763 20 0 BCADLO CC[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939535 362078396 /nfs/dbraw/zinc/07/83/96/362078396.db2.gz STDALPHRBGMKSI-SCZZXKLOSA-N 1 2 210.281 0.910 20 0 BCADLO C[C@H](CF)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631137253 343146160 /nfs/dbraw/zinc/14/61/60/343146160.db2.gz YDVQUZJETJGBGD-ZJUUUORDSA-N 1 2 242.298 0.762 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ccn(C)n1 ZINC000212498020 343134431 /nfs/dbraw/zinc/13/44/31/343134431.db2.gz JRBRAAJETXRCMO-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ccn(C)n1 ZINC000212498020 343134434 /nfs/dbraw/zinc/13/44/34/343134434.db2.gz JRBRAAJETXRCMO-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000576955426 365732559 /nfs/dbraw/zinc/73/25/59/365732559.db2.gz CVYWPPBXFGNVPT-GUBZILKMSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000576955426 365732562 /nfs/dbraw/zinc/73/25/62/365732562.db2.gz CVYWPPBXFGNVPT-GUBZILKMSA-N 1 2 239.319 0.864 20 0 BCADLO Cc1cc(N[C@H]2C(=O)NCC[C@@H]2C)nc[nH+]1 ZINC000309830541 136274982 /nfs/dbraw/zinc/27/49/82/136274982.db2.gz YLDCUMPLZBOJTQ-OIBJUYFYSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1cc(N[C@H]2C(=O)NCC[C@H]2C)nc[nH+]1 ZINC000309830540 136274984 /nfs/dbraw/zinc/27/49/84/136274984.db2.gz YLDCUMPLZBOJTQ-GMSGAONNSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1cc(N2C[C@@H](CO)OC(C)(C)C2)nc[nH+]1 ZINC000163717497 343207228 /nfs/dbraw/zinc/20/72/28/343207228.db2.gz GLZCLKWSKCZVTN-JTQLQIEISA-N 1 2 237.303 0.761 20 0 BCADLO C[C@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)F ZINC000641013618 362128158 /nfs/dbraw/zinc/12/81/58/362128158.db2.gz UTNXZJUOCWWHBJ-YFKPBYRVSA-N 1 2 218.207 0.863 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364460243 136276173 /nfs/dbraw/zinc/27/61/73/136276173.db2.gz KSAHNAYVXAIFFB-MFKMUULPSA-N 1 2 249.314 0.429 20 0 BCADLO Cn1cc(CC[N@@H+]2CCC=C(F)C2)nn1 ZINC000625284559 343220098 /nfs/dbraw/zinc/22/00/98/343220098.db2.gz BFSPWNWAENHVDG-UHFFFAOYSA-N 1 2 210.256 0.917 20 0 BCADLO Cn1cc(CC[N@H+]2CCC=C(F)C2)nn1 ZINC000625284559 343220100 /nfs/dbraw/zinc/22/01/00/343220100.db2.gz BFSPWNWAENHVDG-UHFFFAOYSA-N 1 2 210.256 0.917 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CCCOC1 ZINC000134867585 343191978 /nfs/dbraw/zinc/19/19/78/343191978.db2.gz LJMSIQZUROKJQR-MRVPVSSYSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CCCOC1 ZINC000134867585 343191979 /nfs/dbraw/zinc/19/19/79/343191979.db2.gz LJMSIQZUROKJQR-MRVPVSSYSA-N 1 2 238.291 0.906 20 0 BCADLO C[C@H]1CCN(S(=O)(=O)NCc2c[nH+]c[nH]2)C1 ZINC000625299597 343226527 /nfs/dbraw/zinc/22/65/27/343226527.db2.gz WXOUSZGKFVHBJL-QMMMGPOBSA-N 1 2 244.320 0.086 20 0 BCADLO C[C@H]1CCN(S(=O)(=O)NCc2c[nH]c[nH+]2)C1 ZINC000625299597 343226528 /nfs/dbraw/zinc/22/65/28/343226528.db2.gz WXOUSZGKFVHBJL-QMMMGPOBSA-N 1 2 244.320 0.086 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)N1CCSCC1 ZINC000625299100 343226602 /nfs/dbraw/zinc/22/66/02/343226602.db2.gz FMEWIZWYJKIPEH-UHFFFAOYSA-N 1 2 226.305 0.668 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)N1CCSCC1 ZINC000625299100 343226603 /nfs/dbraw/zinc/22/66/03/343226603.db2.gz FMEWIZWYJKIPEH-UHFFFAOYSA-N 1 2 226.305 0.668 20 0 BCADLO COCC[C@H](C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625298480 343227299 /nfs/dbraw/zinc/22/72/99/343227299.db2.gz RNUAQGBGMDLAOG-QMMMGPOBSA-N 1 2 247.320 0.254 20 0 BCADLO COCC[C@H](C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625298480 343227302 /nfs/dbraw/zinc/22/73/02/343227302.db2.gz RNUAQGBGMDLAOG-QMMMGPOBSA-N 1 2 247.320 0.254 20 0 BCADLO C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301848 343227461 /nfs/dbraw/zinc/22/74/61/343227461.db2.gz YXZOGPZKTWPUEA-APPZFPTMSA-N 1 2 245.304 0.007 20 0 BCADLO C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301848 343227463 /nfs/dbraw/zinc/22/74/63/343227463.db2.gz YXZOGPZKTWPUEA-APPZFPTMSA-N 1 2 245.304 0.007 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C(F)F ZINC000641026003 362142897 /nfs/dbraw/zinc/14/28/97/362142897.db2.gz RPCDGAPREYIEJA-SSDOTTSWSA-N 1 2 232.234 0.836 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H](CC)NC(C)=O ZINC000631294447 343236909 /nfs/dbraw/zinc/23/69/09/343236909.db2.gz LMVWZGFRQVGRHH-LLVKDONJSA-N 1 2 249.314 0.919 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CO[C@H](C)C1)C1CC1 ZINC000402113635 349803506 /nfs/dbraw/zinc/80/35/06/349803506.db2.gz FBRAYTCZTSDGFZ-SZEHBUNVSA-N 1 2 213.277 0.705 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000084092951 136290165 /nfs/dbraw/zinc/29/01/65/136290165.db2.gz NTCUMDRZNWHYOW-WPRPVWTQSA-N 1 2 213.277 0.659 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000084092951 136290166 /nfs/dbraw/zinc/29/01/66/136290166.db2.gz NTCUMDRZNWHYOW-WPRPVWTQSA-N 1 2 213.277 0.659 20 0 BCADLO CC(C)(CO)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036175 362149223 /nfs/dbraw/zinc/14/92/23/362149223.db2.gz JEEYWVXVJKZJNJ-UHFFFAOYSA-N 1 2 235.291 0.611 20 0 BCADLO COC(C)(C)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038233 362150640 /nfs/dbraw/zinc/15/06/40/362150640.db2.gz MWJYLJZKJINBBP-UHFFFAOYSA-N 1 2 235.291 0.941 20 0 BCADLO c1ncc(CC[N@@H+]2CCn3nncc3C2)s1 ZINC000574887736 343276883 /nfs/dbraw/zinc/27/68/83/343276883.db2.gz BNRQAPGQEUAJIH-UHFFFAOYSA-N 1 2 235.316 0.793 20 0 BCADLO c1ncc(CC[N@H+]2CCn3nncc3C2)s1 ZINC000574887736 343276885 /nfs/dbraw/zinc/27/68/85/343276885.db2.gz BNRQAPGQEUAJIH-UHFFFAOYSA-N 1 2 235.316 0.793 20 0 BCADLO CC[NH+](CC)Cc1cn(Cc2cn[nH]n2)nn1 ZINC000641057044 362166004 /nfs/dbraw/zinc/16/60/04/362166004.db2.gz WSRQQUCUIHTGGI-UHFFFAOYSA-N 1 2 235.295 0.286 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1nncs1 ZINC000069966322 343295275 /nfs/dbraw/zinc/29/52/75/343295275.db2.gz RJDRNRFEBBTAKP-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H](C)CO ZINC000134961602 343298078 /nfs/dbraw/zinc/29/80/78/343298078.db2.gz SMEMCODWDMEERJ-HTQZYQBOSA-N 1 2 235.291 0.792 20 0 BCADLO CC[C@](C)(O)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053528 362162650 /nfs/dbraw/zinc/16/26/50/362162650.db2.gz IRGZOTFXGLIUKN-LBPRGKRZSA-N 1 2 249.318 0.763 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@H](O)C2)[nH+]1 ZINC000348727390 136295039 /nfs/dbraw/zinc/29/50/39/136295039.db2.gz FIYFXWMLWZIZFF-QMMMGPOBSA-N 1 2 218.260 0.837 20 0 BCADLO COC(C)(C)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053141 362162733 /nfs/dbraw/zinc/16/27/33/362162733.db2.gz AQUXIIDKQQNTAX-UHFFFAOYSA-N 1 2 235.291 0.941 20 0 BCADLO C[C@@H](O)CCCc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053172 362162863 /nfs/dbraw/zinc/16/28/63/362162863.db2.gz BIOUZQRJGDVFTA-SNVBAGLBSA-N 1 2 249.318 0.763 20 0 BCADLO CCC(=O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054325 362164233 /nfs/dbraw/zinc/16/42/33/362164233.db2.gz VQOOLLSYDOPGFA-UHFFFAOYSA-N 1 2 219.248 0.653 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000678171797 488211713 /nfs/dbraw/zinc/21/17/13/488211713.db2.gz LKIOZFKJJLJFFQ-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000678171797 488211718 /nfs/dbraw/zinc/21/17/18/488211718.db2.gz LKIOZFKJJLJFFQ-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599048 343357435 /nfs/dbraw/zinc/35/74/35/343357435.db2.gz PYNOZFMCSQGRCD-LLVKDONJSA-N 1 2 241.379 0.927 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2=CCCC2)nn1 ZINC000641067030 362177149 /nfs/dbraw/zinc/17/71/49/362177149.db2.gz HHCXYEFHXOLSSE-UHFFFAOYSA-N 1 2 236.319 0.813 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2=CCCC2)nn1 ZINC000641067030 362177161 /nfs/dbraw/zinc/17/71/61/362177161.db2.gz HHCXYEFHXOLSSE-UHFFFAOYSA-N 1 2 236.319 0.813 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1CCC1CC1 ZINC000641065690 362172982 /nfs/dbraw/zinc/17/29/82/362172982.db2.gz KFXAWYSZMIKOOO-LLVKDONJSA-N 1 2 222.292 0.739 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccccn1 ZINC000070651650 343338008 /nfs/dbraw/zinc/33/80/08/343338008.db2.gz GPKFVGDASPMKIB-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO CC(C)n1cc(C[N@H+](C)CCC(N)=O)nn1 ZINC000348838118 136302256 /nfs/dbraw/zinc/30/22/56/136302256.db2.gz MKHWAPBPNADQSC-UHFFFAOYSA-N 1 2 225.296 0.166 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)CCC(N)=O)nn1 ZINC000348838118 136302257 /nfs/dbraw/zinc/30/22/57/136302257.db2.gz MKHWAPBPNADQSC-UHFFFAOYSA-N 1 2 225.296 0.166 20 0 BCADLO CCOCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641061860 362170339 /nfs/dbraw/zinc/17/03/39/362170339.db2.gz IHZCQZKQYSQQHF-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCOCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641061860 362170343 /nfs/dbraw/zinc/17/03/43/362170343.db2.gz IHZCQZKQYSQQHF-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO Cc1ccn(CC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000335652441 136305798 /nfs/dbraw/zinc/30/57/98/136305798.db2.gz CSGRBCVOAKSLJJ-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC1 ZINC000348947605 136310138 /nfs/dbraw/zinc/31/01/38/136310138.db2.gz JTGGPPFFBXPLIG-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC1 ZINC000348947605 136310139 /nfs/dbraw/zinc/31/01/39/136310139.db2.gz JTGGPPFFBXPLIG-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO CN(C)C(=O)NCCN(C)Cc1[nH]cc[nH+]1 ZINC000348945395 136310153 /nfs/dbraw/zinc/31/01/53/136310153.db2.gz BBZZTWNHVJKLJW-UHFFFAOYSA-N 1 2 225.296 0.113 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC000275210196 187338060 /nfs/dbraw/zinc/33/80/60/187338060.db2.gz JABOVVHYCOTCJQ-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO COCC[N@H+](C)Cc1cn([C@H](C)COC)nn1 ZINC000641078047 362186111 /nfs/dbraw/zinc/18/61/11/362186111.db2.gz CULVSHCENLXJSF-SNVBAGLBSA-N 1 2 242.323 0.564 20 0 BCADLO COCC[N@@H+](C)Cc1cn([C@H](C)COC)nn1 ZINC000641078047 362186113 /nfs/dbraw/zinc/18/61/13/362186113.db2.gz CULVSHCENLXJSF-SNVBAGLBSA-N 1 2 242.323 0.564 20 0 BCADLO C[C@H](O)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000047672900 343422634 /nfs/dbraw/zinc/42/26/34/343422634.db2.gz QJWJWDPZGWKJOT-VIFPVBQESA-N 1 2 248.286 0.514 20 0 BCADLO O=C(NCC1(O)CCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335688979 136324346 /nfs/dbraw/zinc/32/43/46/136324346.db2.gz XPPXVMOPZQLKRL-VIFPVBQESA-N 1 2 249.314 0.861 20 0 BCADLO O=C(NCC1(O)CCC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335688979 136324347 /nfs/dbraw/zinc/32/43/47/136324347.db2.gz XPPXVMOPZQLKRL-VIFPVBQESA-N 1 2 249.314 0.861 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC1CC1 ZINC000276568907 187338674 /nfs/dbraw/zinc/33/86/74/187338674.db2.gz KXDPBUNDXVZVMM-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO CC(C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047617648 343420230 /nfs/dbraw/zinc/42/02/30/343420230.db2.gz IQBIZNUJURMIBT-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000047617400 343420605 /nfs/dbraw/zinc/42/06/05/343420605.db2.gz RUIIDZMWDYWNKZ-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@@H](Cn1cc([C@H]2COCC[NH2+]2)nn1)OC ZINC000641079567 362193242 /nfs/dbraw/zinc/19/32/42/362193242.db2.gz FCYKMKGQIHYOJW-GXSJLCMTSA-N 1 2 240.307 0.364 20 0 BCADLO C[C@H](C(=O)N1C[C@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000349347418 136342832 /nfs/dbraw/zinc/34/28/32/136342832.db2.gz LQTVVSWZYYFXQY-UTUOFQBUSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[C@H]1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641083126 362202673 /nfs/dbraw/zinc/20/26/73/362202673.db2.gz UEVNZBCEVMYVNC-WCABBAIRSA-N 1 2 222.292 0.595 20 0 BCADLO CC[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276625979 187339361 /nfs/dbraw/zinc/33/93/61/187339361.db2.gz RUZQBGUCHQESHK-ZWNMCFTASA-N 1 2 223.276 0.700 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCSC[C@@H]1CO ZINC000335729173 136348226 /nfs/dbraw/zinc/34/82/26/136348226.db2.gz FRAZYGCJPFMCEJ-VIFPVBQESA-N 1 2 227.333 0.330 20 0 BCADLO Cn1ccnc1C[N@H+]1CCSC[C@@H]1CO ZINC000335729173 136348227 /nfs/dbraw/zinc/34/82/27/136348227.db2.gz FRAZYGCJPFMCEJ-VIFPVBQESA-N 1 2 227.333 0.330 20 0 BCADLO Cn1cc[nH+]c1CN1CCSC[C@@H]1CO ZINC000335729173 136348228 /nfs/dbraw/zinc/34/82/28/136348228.db2.gz FRAZYGCJPFMCEJ-VIFPVBQESA-N 1 2 227.333 0.330 20 0 BCADLO CC(C)(C(=O)N1CC[C@@](C)(O)C1)c1c[nH+]c[nH]1 ZINC000335733621 136349839 /nfs/dbraw/zinc/34/98/39/136349839.db2.gz GPIUMMDSPDCUEQ-GFCCVEGCSA-N 1 2 237.303 0.671 20 0 BCADLO C[C@H](C(=O)N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000335685465 136329818 /nfs/dbraw/zinc/32/98/18/136329818.db2.gz WLUXVMRREFYOGB-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H](C(=O)N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000335685460 136329921 /nfs/dbraw/zinc/32/99/21/136329921.db2.gz WLUXVMRREFYOGB-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000335685538 136330010 /nfs/dbraw/zinc/33/00/10/136330010.db2.gz TUMWWUDVNCMMIW-MNOVXSKESA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000335685538 136330011 /nfs/dbraw/zinc/33/00/11/136330011.db2.gz TUMWWUDVNCMMIW-MNOVXSKESA-N 1 2 249.314 0.478 20 0 BCADLO COCC[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641086824 362215110 /nfs/dbraw/zinc/21/51/10/362215110.db2.gz TUYOWXYAKFXHSJ-SNVBAGLBSA-N 1 2 242.323 0.300 20 0 BCADLO COCC[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641086824 362215114 /nfs/dbraw/zinc/21/51/14/362215114.db2.gz TUYOWXYAKFXHSJ-SNVBAGLBSA-N 1 2 242.323 0.300 20 0 BCADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCO)o1 ZINC000177734485 346938384 /nfs/dbraw/zinc/93/83/84/346938384.db2.gz WVXULFKDHVJZHQ-JTQLQIEISA-N 1 2 211.261 0.954 20 0 BCADLO Cc1ccc([C@@H]2COCC[N@H+]2CCO)o1 ZINC000177734485 346938386 /nfs/dbraw/zinc/93/83/86/346938386.db2.gz WVXULFKDHVJZHQ-JTQLQIEISA-N 1 2 211.261 0.954 20 0 BCADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C(=O)N(C)C ZINC000042270107 343432615 /nfs/dbraw/zinc/43/26/15/343432615.db2.gz CFILYTNAVWNOAU-ZETCQYMHSA-N 1 2 248.290 0.252 20 0 BCADLO C[C@H]1C[C@@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080961 362197233 /nfs/dbraw/zinc/19/72/33/362197233.db2.gz KBQDKIJNGPLPLX-VHSXEESVSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@H]1C[C@@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080961 362197240 /nfs/dbraw/zinc/19/72/40/362197240.db2.gz KBQDKIJNGPLPLX-VHSXEESVSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@H]1C[C@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080960 362197455 /nfs/dbraw/zinc/19/74/55/362197455.db2.gz KBQDKIJNGPLPLX-UWVGGRQHSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@H]1C[C@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080960 362197462 /nfs/dbraw/zinc/19/74/62/362197462.db2.gz KBQDKIJNGPLPLX-UWVGGRQHSA-N 1 2 224.308 0.358 20 0 BCADLO CC[C@@H](Cn1cc(C[N@H+](C)CCO)nn1)OC ZINC000641081291 362198109 /nfs/dbraw/zinc/19/81/09/362198109.db2.gz ONUDHYVRHWDQGQ-NSHDSACASA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@@H](Cn1cc(C[N@@H+](C)CCO)nn1)OC ZINC000641081291 362198115 /nfs/dbraw/zinc/19/81/15/362198115.db2.gz ONUDHYVRHWDQGQ-NSHDSACASA-N 1 2 242.323 0.127 20 0 BCADLO Cc1ccc(NC(=O)N[C@@H]2CNC(=O)C2)c(C)[nH+]1 ZINC000335891677 136358662 /nfs/dbraw/zinc/35/86/62/136358662.db2.gz AQBGPSJKCCFAFY-VIFPVBQESA-N 1 2 248.286 0.708 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000191771822 136364596 /nfs/dbraw/zinc/36/45/96/136364596.db2.gz XBUZZLLNPQAQMD-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000191771822 136364597 /nfs/dbraw/zinc/36/45/97/136364597.db2.gz XBUZZLLNPQAQMD-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO CCOc1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000351500636 136368769 /nfs/dbraw/zinc/36/87/69/136368769.db2.gz UJVIAEWVOGENNO-UHFFFAOYSA-N 1 2 249.314 0.868 20 0 BCADLO CCC(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000641124048 362230676 /nfs/dbraw/zinc/23/06/76/362230676.db2.gz UDRJSXNWEQMSHK-UHFFFAOYSA-N 1 2 219.248 0.768 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351633491 136369803 /nfs/dbraw/zinc/36/98/03/136369803.db2.gz NBWBDYRLXMFEMW-UHFFFAOYSA-N 1 2 238.291 0.505 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCc2nn[nH]c2C1 ZINC000351633491 136369804 /nfs/dbraw/zinc/36/98/04/136369804.db2.gz NBWBDYRLXMFEMW-UHFFFAOYSA-N 1 2 238.291 0.505 20 0 BCADLO CCCCNC(=O)NC(=O)Cn1cc[nH+]c1 ZINC000048393272 136372720 /nfs/dbraw/zinc/37/27/20/136372720.db2.gz IYRWAUQWIIHNNS-UHFFFAOYSA-N 1 2 224.264 0.509 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000082476757 343444968 /nfs/dbraw/zinc/44/49/68/343444968.db2.gz UZXWQEXSHRBQGO-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC ZINC000082476757 343444969 /nfs/dbraw/zinc/44/49/69/343444969.db2.gz UZXWQEXSHRBQGO-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000616496265 343480418 /nfs/dbraw/zinc/48/04/18/343480418.db2.gz FJTOHWASGACRLA-UTLUCORTSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000616496265 343480422 /nfs/dbraw/zinc/48/04/22/343480422.db2.gz FJTOHWASGACRLA-UTLUCORTSA-N 1 2 249.314 0.808 20 0 BCADLO CC(C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000083467100 343486834 /nfs/dbraw/zinc/48/68/34/343486834.db2.gz OMIQTMXQCVWHIT-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CCO ZINC000310450281 343496490 /nfs/dbraw/zinc/49/64/90/343496490.db2.gz XUUXTHMZJUEHFU-NSHDSACASA-N 1 2 237.303 0.647 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)C(=O)NC(C)C)c[nH+]1 ZINC000622711832 343519742 /nfs/dbraw/zinc/51/97/42/343519742.db2.gz HNASADDVSTUMAW-SSDOTTSWSA-N 1 2 238.291 0.361 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000577010393 365760310 /nfs/dbraw/zinc/76/03/10/365760310.db2.gz LKDOFPWBNPBKAD-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000577010393 365760311 /nfs/dbraw/zinc/76/03/11/365760311.db2.gz LKDOFPWBNPBKAD-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H](O)CSC)CCO1 ZINC000602897000 349813806 /nfs/dbraw/zinc/81/38/06/349813806.db2.gz IIIZMNLYJQJBJC-IUCAKERBSA-N 1 2 221.322 0.015 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H](O)CSC)CCO1 ZINC000602897000 349813810 /nfs/dbraw/zinc/81/38/10/349813810.db2.gz IIIZMNLYJQJBJC-IUCAKERBSA-N 1 2 221.322 0.015 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@@H](OC)C1 ZINC000602900021 349815506 /nfs/dbraw/zinc/81/55/06/349815506.db2.gz WYLJRQVIYMMOPF-SNVBAGLBSA-N 1 2 217.265 0.244 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@@H](OC)C1 ZINC000602900021 349815508 /nfs/dbraw/zinc/81/55/08/349815508.db2.gz WYLJRQVIYMMOPF-SNVBAGLBSA-N 1 2 217.265 0.244 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccncc1 ZINC000046886610 343554412 /nfs/dbraw/zinc/55/44/12/343554412.db2.gz ADOAMENVJJTSCZ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[N@H+](CCC(=O)NC(N)=O)Cc1cscn1 ZINC000049069115 343592780 /nfs/dbraw/zinc/59/27/80/343592780.db2.gz HEFMNPUYNXTLKW-UHFFFAOYSA-N 1 2 242.304 0.160 20 0 BCADLO C[N@@H+](CCC(=O)NC(N)=O)Cc1cscn1 ZINC000049069115 343592781 /nfs/dbraw/zinc/59/27/81/343592781.db2.gz HEFMNPUYNXTLKW-UHFFFAOYSA-N 1 2 242.304 0.160 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000570179125 323052209 /nfs/dbraw/zinc/05/22/09/323052209.db2.gz GACXDKAXASYHTN-MNOVXSKESA-N 1 2 226.320 0.751 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000570179125 323052210 /nfs/dbraw/zinc/05/22/10/323052210.db2.gz GACXDKAXASYHTN-MNOVXSKESA-N 1 2 226.320 0.751 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000602945163 349818300 /nfs/dbraw/zinc/81/83/00/349818300.db2.gz XVYFFEWOYDJZET-JTQLQIEISA-N 1 2 229.349 0.874 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000602945163 349818304 /nfs/dbraw/zinc/81/83/04/349818304.db2.gz XVYFFEWOYDJZET-JTQLQIEISA-N 1 2 229.349 0.874 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252407 343599071 /nfs/dbraw/zinc/59/90/71/343599071.db2.gz FTMTUNDYWOQHJE-PWSUYJOCSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252407 343599074 /nfs/dbraw/zinc/59/90/74/343599074.db2.gz FTMTUNDYWOQHJE-PWSUYJOCSA-N 1 2 249.314 0.719 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccon1 ZINC000622745904 343606322 /nfs/dbraw/zinc/60/63/22/343606322.db2.gz ZMTFPIDGLCVADH-UHFFFAOYSA-N 1 2 206.205 0.670 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccon1 ZINC000622745904 343606324 /nfs/dbraw/zinc/60/63/24/343606324.db2.gz ZMTFPIDGLCVADH-UHFFFAOYSA-N 1 2 206.205 0.670 20 0 BCADLO CO[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000618149996 346949634 /nfs/dbraw/zinc/94/96/34/346949634.db2.gz RRCJPCZMSYUWEX-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO COC[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000087263097 343642473 /nfs/dbraw/zinc/64/24/73/343642473.db2.gz ZOBSSOBGEGETQG-MRVPVSSYSA-N 1 2 211.265 0.699 20 0 BCADLO C[C@H](O)C1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000620066331 343622863 /nfs/dbraw/zinc/62/28/63/343622863.db2.gz BKUNHNUXIUEIKX-JTQLQIEISA-N 1 2 237.303 0.693 20 0 BCADLO CCN(C#N)CC[N@H+](C)Cc1c[nH]nc1C ZINC000602943870 349825654 /nfs/dbraw/zinc/82/56/54/349825654.db2.gz TWHLJAHKIYUVAR-UHFFFAOYSA-N 1 2 221.308 0.953 20 0 BCADLO CCN(C#N)CC[N@@H+](C)Cc1c[nH]nc1C ZINC000602943870 349825655 /nfs/dbraw/zinc/82/56/55/349825655.db2.gz TWHLJAHKIYUVAR-UHFFFAOYSA-N 1 2 221.308 0.953 20 0 BCADLO CC[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570284574 323055140 /nfs/dbraw/zinc/05/51/40/323055140.db2.gz LMHHQDWTMRCAJO-UWVGGRQHSA-N 1 2 225.292 0.721 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1nc[nH]n1 ZINC000087444347 343650013 /nfs/dbraw/zinc/65/00/13/343650013.db2.gz PSSYHOGXBSMMDB-UHFFFAOYSA-N 1 2 203.205 0.760 20 0 BCADLO CN(CC(=O)NC1CC1)c1cccc[nH+]1 ZINC000054865150 343662875 /nfs/dbraw/zinc/66/28/75/343662875.db2.gz ULHMKVZBTFTKIP-UHFFFAOYSA-N 1 2 205.261 0.796 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOCCO)C(C)(C)C ZINC000119176544 343664123 /nfs/dbraw/zinc/66/41/23/343664123.db2.gz DFBWDDATQNFRMS-SECBINFHSA-N 1 2 233.308 0.173 20 0 BCADLO COc1ncc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398314985 343665675 /nfs/dbraw/zinc/66/56/75/343665675.db2.gz CDDNELKGARIDQA-UHFFFAOYSA-N 1 2 225.277 0.560 20 0 BCADLO CNc1ccc(Nc2cnccn2)c[nH+]1 ZINC000380190138 343690514 /nfs/dbraw/zinc/69/05/14/343690514.db2.gz OPONYEAHOLYKFA-UHFFFAOYSA-N 1 2 201.233 0.501 20 0 BCADLO CSCCCC(=O)NCC[NH+]1CCOCC1 ZINC000071541572 343694323 /nfs/dbraw/zinc/69/43/23/343694323.db2.gz MHTXXRVKCSVSQY-UHFFFAOYSA-N 1 2 246.376 0.578 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988023 349838502 /nfs/dbraw/zinc/83/85/02/349838502.db2.gz YWOUTHWCULSVKR-NKWVEPMBSA-N 1 2 241.209 0.262 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988023 349838504 /nfs/dbraw/zinc/83/85/04/349838504.db2.gz YWOUTHWCULSVKR-NKWVEPMBSA-N 1 2 241.209 0.262 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000049497321 187269869 /nfs/dbraw/zinc/26/98/69/187269869.db2.gz AIACCRVGRLHJOE-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO CCc1nc(C[NH2+][C@@H](C)[C@H](C)CO)no1 ZINC000309036577 346955701 /nfs/dbraw/zinc/95/57/01/346955701.db2.gz IMIHNQCIIDUDHZ-SFYZADRCSA-N 1 2 213.281 0.739 20 0 BCADLO CCc1cnc(C[NH2+][C@@H](C)C(=O)NC)s1 ZINC000309033627 346956082 /nfs/dbraw/zinc/95/60/82/346956082.db2.gz GQUBPDBEZXJNOZ-ZETCQYMHSA-N 1 2 227.333 0.930 20 0 BCADLO CCCCc1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000286532505 187345599 /nfs/dbraw/zinc/34/55/99/187345599.db2.gz RHMJPWFDFPCTHA-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO CCCCc1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000286532505 187345601 /nfs/dbraw/zinc/34/56/01/187345601.db2.gz RHMJPWFDFPCTHA-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3nc[nH]c3C2)n1 ZINC000625435771 343733069 /nfs/dbraw/zinc/73/30/69/343733069.db2.gz VRWXGKNLQFRCBU-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3nc[nH]c3C2)n1 ZINC000625435771 343733072 /nfs/dbraw/zinc/73/30/72/343733072.db2.gz VRWXGKNLQFRCBU-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO C[C@@H](c1nnnn1C)N1CCc2[nH+]c[nH]c2C1 ZINC000625436070 343733780 /nfs/dbraw/zinc/73/37/80/343733780.db2.gz DYAMAZZSWWZJLP-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO CN(C)c1noc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625436899 343734201 /nfs/dbraw/zinc/73/42/01/343734201.db2.gz MUOAECQVMDAPEK-UHFFFAOYSA-N 1 2 248.290 0.417 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCOCC23CC3)OC1=O ZINC000495661435 529825524 /nfs/dbraw/zinc/82/55/24/529825524.db2.gz JEZJPHOVCVCVMW-SECBINFHSA-N 1 2 226.276 0.302 20 0 BCADLO CN1C[C@H](C[N@H+]2CCOCC23CC3)OC1=O ZINC000495661435 529825525 /nfs/dbraw/zinc/82/55/25/529825525.db2.gz JEZJPHOVCVCVMW-SECBINFHSA-N 1 2 226.276 0.302 20 0 BCADLO O[C@H]1CN(c2cc3ccccc3c[nH+]2)C[C@@H]1O ZINC000631396500 343712431 /nfs/dbraw/zinc/71/24/31/343712431.db2.gz UYZROUYGZVCWBV-RYUDHWBXSA-N 1 2 230.267 0.777 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCN(C)CC2(C)C)OC1=O ZINC000495724961 529817454 /nfs/dbraw/zinc/81/74/54/529817454.db2.gz DAFQFWBVWBTHIJ-JTQLQIEISA-N 1 2 241.335 0.463 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCN(C)CC2(C)C)OC1=O ZINC000495724961 529817455 /nfs/dbraw/zinc/81/74/55/529817455.db2.gz DAFQFWBVWBTHIJ-JTQLQIEISA-N 1 2 241.335 0.463 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCOCC2(C)C)OC1=O ZINC000496786854 529817579 /nfs/dbraw/zinc/81/75/79/529817579.db2.gz RPUCLCCDJMDECB-VIFPVBQESA-N 1 2 228.292 0.548 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCOCC2(C)C)OC1=O ZINC000496786854 529817580 /nfs/dbraw/zinc/81/75/80/529817580.db2.gz RPUCLCCDJMDECB-VIFPVBQESA-N 1 2 228.292 0.548 20 0 BCADLO CCOCC[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603002235 349854370 /nfs/dbraw/zinc/85/43/70/349854370.db2.gz CBAZBFBYJGFWOY-LBPRGKRZSA-N 1 2 245.319 0.677 20 0 BCADLO CCOCC[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603002235 349854371 /nfs/dbraw/zinc/85/43/71/349854371.db2.gz CBAZBFBYJGFWOY-LBPRGKRZSA-N 1 2 245.319 0.677 20 0 BCADLO CN(CC(=O)NC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493211392 529831997 /nfs/dbraw/zinc/83/19/97/529831997.db2.gz ZCFVGEWHJKQXJZ-SNAWJCMRSA-N 1 2 248.286 0.160 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(O)CCSC1 ZINC000336494566 537810209 /nfs/dbraw/zinc/81/02/09/537810209.db2.gz ODCQIOLSDCUAPU-NSHDSACASA-N 1 2 238.312 0.618 20 0 BCADLO C=Cn1cc(C[NH+]2CC(N3CCNC3=O)C2)cn1 ZINC000291456057 187348552 /nfs/dbraw/zinc/34/85/52/187348552.db2.gz MUMHTAFZMWIZBW-UHFFFAOYSA-N 1 2 247.302 0.193 20 0 BCADLO CCN(C[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000584146712 343765188 /nfs/dbraw/zinc/76/51/88/343765188.db2.gz OWEJZWXMJKPLTC-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090521 349866636 /nfs/dbraw/zinc/86/66/36/349866636.db2.gz VIHCUNVCSPYLAF-MBNYWOFBSA-N 1 2 247.294 0.967 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090521 349866639 /nfs/dbraw/zinc/86/66/39/349866639.db2.gz VIHCUNVCSPYLAF-MBNYWOFBSA-N 1 2 247.294 0.967 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)n1cccn1 ZINC000582132136 346987754 /nfs/dbraw/zinc/98/77/54/346987754.db2.gz BVSCIAGZRSFRMM-SNVBAGLBSA-N 1 2 247.302 0.977 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094404 349867407 /nfs/dbraw/zinc/86/74/07/349867407.db2.gz WMDJGDQLSSGDID-PRHODGIISA-N 1 2 237.255 0.633 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094404 349867410 /nfs/dbraw/zinc/86/74/10/349867410.db2.gz WMDJGDQLSSGDID-PRHODGIISA-N 1 2 237.255 0.633 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678285646 488237045 /nfs/dbraw/zinc/23/70/45/488237045.db2.gz SRWOCJYMWDSHMP-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678285646 488237048 /nfs/dbraw/zinc/23/70/48/488237048.db2.gz SRWOCJYMWDSHMP-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO C[N@@H+](Cc1csnn1)CC1CC(O)C1 ZINC000336701583 537826319 /nfs/dbraw/zinc/82/63/19/537826319.db2.gz YCVJFNRGUBFWPS-UHFFFAOYSA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1csnn1)CC1CC(O)C1 ZINC000336701583 537826333 /nfs/dbraw/zinc/82/63/33/537826333.db2.gz YCVJFNRGUBFWPS-UHFFFAOYSA-N 1 2 213.306 0.741 20 0 BCADLO CS(=O)(=O)CC1(C[N@@H+]2CCCOCC2)CC1 ZINC000336698433 537826122 /nfs/dbraw/zinc/82/61/22/537826122.db2.gz IXCKYMKOKBVSFB-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CS(=O)(=O)CC1(C[N@H+]2CCCOCC2)CC1 ZINC000336698433 537826128 /nfs/dbraw/zinc/82/61/28/537826128.db2.gz IXCKYMKOKBVSFB-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000179578078 346989904 /nfs/dbraw/zinc/98/99/04/346989904.db2.gz SDZAFMLWTPVLJD-QMMMGPOBSA-N 1 2 211.290 0.593 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000179578078 346989907 /nfs/dbraw/zinc/98/99/07/346989907.db2.gz SDZAFMLWTPVLJD-QMMMGPOBSA-N 1 2 211.290 0.593 20 0 BCADLO COCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000066743208 343880028 /nfs/dbraw/zinc/88/00/28/343880028.db2.gz GSJPLQRTVADWBC-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn(C2CC2)nn1 ZINC000625488989 343884942 /nfs/dbraw/zinc/88/49/42/343884942.db2.gz LFEXPHIPWZVCAQ-UHFFFAOYSA-N 1 2 232.247 0.266 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)OC1CCC1 ZINC000495965146 529911178 /nfs/dbraw/zinc/91/11/78/529911178.db2.gz AUNUGTRYCBMZGL-UHFFFAOYSA-N 1 2 242.319 0.940 20 0 BCADLO CCC[C@H](C)n1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603203464 349886594 /nfs/dbraw/zinc/88/65/94/349886594.db2.gz XRMVKBAJXZUJIE-WPRPVWTQSA-N 1 2 240.307 0.682 20 0 BCADLO COCC[N@H+](C)Cc1cn(CCSC)nn1 ZINC000603215517 349895307 /nfs/dbraw/zinc/89/53/07/349895307.db2.gz OQKQQPKUCUZIJL-UHFFFAOYSA-N 1 2 244.364 0.719 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CCSC)nn1 ZINC000603215517 349895311 /nfs/dbraw/zinc/89/53/11/349895311.db2.gz OQKQQPKUCUZIJL-UHFFFAOYSA-N 1 2 244.364 0.719 20 0 BCADLO CC(C)N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000625516026 343915555 /nfs/dbraw/zinc/91/55/55/343915555.db2.gz NMPGIZFDKRBXKD-JTQLQIEISA-N 1 2 229.324 0.367 20 0 BCADLO CC(C)N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000625516026 343915557 /nfs/dbraw/zinc/91/55/57/343915557.db2.gz NMPGIZFDKRBXKD-JTQLQIEISA-N 1 2 229.324 0.367 20 0 BCADLO CC(C)(C)C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000128799959 343917567 /nfs/dbraw/zinc/91/75/67/343917567.db2.gz VRSSDQSPUWKMHF-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC(C)(O)C1)CC2 ZINC000626212634 347016238 /nfs/dbraw/zinc/01/62/38/347016238.db2.gz OLDAHWZQWAYRJL-JTQLQIEISA-N 1 2 249.314 0.347 20 0 BCADLO CSCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603216665 349895555 /nfs/dbraw/zinc/89/55/55/349895555.db2.gz WQFIVLUOKCAYMA-VIFPVBQESA-N 1 2 228.321 0.302 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000626213279 347016710 /nfs/dbraw/zinc/01/67/10/347016710.db2.gz PVSDNCCPWGLHCP-KYHHOPLUSA-N 1 2 249.314 0.808 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000626213279 347016711 /nfs/dbraw/zinc/01/67/11/347016711.db2.gz PVSDNCCPWGLHCP-KYHHOPLUSA-N 1 2 249.314 0.808 20 0 BCADLO CC(C)OC(=O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000603220016 349897000 /nfs/dbraw/zinc/89/70/00/349897000.db2.gz MQTFXSHAWJPCKT-UHFFFAOYSA-N 1 2 235.247 0.615 20 0 BCADLO CCOC(=O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000603219306 349897084 /nfs/dbraw/zinc/89/70/84/349897084.db2.gz JHUYAANUTMSRQO-UHFFFAOYSA-N 1 2 235.247 0.155 20 0 BCADLO CC(C)[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641188533 362262955 /nfs/dbraw/zinc/26/29/55/362262955.db2.gz RLOVNBXYNRNETN-SNVBAGLBSA-N 1 2 226.324 0.919 20 0 BCADLO CC(C)[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641188533 362262957 /nfs/dbraw/zinc/26/29/57/362262957.db2.gz RLOVNBXYNRNETN-SNVBAGLBSA-N 1 2 226.324 0.919 20 0 BCADLO CC(C)OC(=O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000603222586 349897684 /nfs/dbraw/zinc/89/76/84/349897684.db2.gz JKKLIRCUNATLKB-UHFFFAOYSA-N 1 2 249.274 0.625 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)NC2CC2)o1 ZINC000628122478 343974533 /nfs/dbraw/zinc/97/45/33/343974533.db2.gz YSNOXNAASJDLBV-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)NC2CC2)o1 ZINC000628122478 343974535 /nfs/dbraw/zinc/97/45/35/343974535.db2.gz YSNOXNAASJDLBV-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1cnn(CC)c1 ZINC000285187550 344043804 /nfs/dbraw/zinc/04/38/04/344043804.db2.gz VWAMTTYKSFAJPE-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1cnn(CC)c1 ZINC000285187550 344043809 /nfs/dbraw/zinc/04/38/09/344043809.db2.gz VWAMTTYKSFAJPE-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cncs1 ZINC000092041474 343952578 /nfs/dbraw/zinc/95/25/78/343952578.db2.gz FIYUACBENCBIGG-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cncs1 ZINC000092041474 343952579 /nfs/dbraw/zinc/95/25/79/343952579.db2.gz FIYUACBENCBIGG-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H](CC(=O)N1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC000569346046 343958916 /nfs/dbraw/zinc/95/89/16/343958916.db2.gz FWYDJZFKHGUGJN-GHMZBOCLSA-N 1 2 237.303 0.818 20 0 BCADLO OC1(Cn2cc(Cn3cc[nH+]c3)nn2)CCCC1 ZINC000641216977 362281140 /nfs/dbraw/zinc/28/11/40/362281140.db2.gz FMXOIVDQVHUIMI-UHFFFAOYSA-N 1 2 247.302 0.828 20 0 BCADLO CCCSCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600419434 343960331 /nfs/dbraw/zinc/96/03/31/343960331.db2.gz HNZTZBGNFUBFFB-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CCCSCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600419434 343960334 /nfs/dbraw/zinc/96/03/34/343960334.db2.gz HNZTZBGNFUBFFB-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO FC(F)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641232229 362287327 /nfs/dbraw/zinc/28/73/27/362287327.db2.gz CORZCBHRSCXSMU-SSDOTTSWSA-N 1 2 218.207 0.204 20 0 BCADLO CC(C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641248886 362322852 /nfs/dbraw/zinc/32/28/52/362322852.db2.gz CNVDLUMCUIGWBW-UHFFFAOYSA-N 1 2 217.294 0.211 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2Cc3ccc(O)cc3C2)N1 ZINC000625728253 344060108 /nfs/dbraw/zinc/06/01/08/344060108.db2.gz DCUMSJXFJQEXON-NSHDSACASA-N 1 2 232.283 0.986 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2Cc3ccc(O)cc3C2)N1 ZINC000625728253 344060109 /nfs/dbraw/zinc/06/01/09/344060109.db2.gz DCUMSJXFJQEXON-NSHDSACASA-N 1 2 232.283 0.986 20 0 BCADLO CC[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641249855 362325223 /nfs/dbraw/zinc/32/52/23/362325223.db2.gz OIEROLPSRHGFSK-SECBINFHSA-N 1 2 231.321 0.601 20 0 BCADLO NC(=O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641252554 362331450 /nfs/dbraw/zinc/33/14/50/362331450.db2.gz NOUQJSPFXMFCJM-UHFFFAOYSA-N 1 2 235.287 0.276 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000330817570 187357378 /nfs/dbraw/zinc/35/73/78/187357378.db2.gz DRPUNMBDTDCSQJ-JQWIXIFHSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC000624620414 344107314 /nfs/dbraw/zinc/10/73/14/344107314.db2.gz CPAFIJOKLVEEJH-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC000624620414 344107316 /nfs/dbraw/zinc/10/73/16/344107316.db2.gz CPAFIJOKLVEEJH-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(F)cn1 ZINC000624620804 344108129 /nfs/dbraw/zinc/10/81/29/344108129.db2.gz MLANFFREPONEPE-SNVBAGLBSA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ccc(F)cn1 ZINC000624620804 344108130 /nfs/dbraw/zinc/10/81/30/344108130.db2.gz MLANFFREPONEPE-SNVBAGLBSA-N 1 2 225.267 0.963 20 0 BCADLO CNC(=O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641273202 362340075 /nfs/dbraw/zinc/34/00/75/362340075.db2.gz ZYMCWJFTIDZNQV-UHFFFAOYSA-N 1 2 249.314 0.536 20 0 BCADLO Cc1cncc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000624620704 344108440 /nfs/dbraw/zinc/10/84/40/344108440.db2.gz JSTAXMVFQXDHAD-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000624620704 344108442 /nfs/dbraw/zinc/10/84/42/344108442.db2.gz JSTAXMVFQXDHAD-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO COc1cc(NC[C@@H]2COCC[N@@H+]2C)ncn1 ZINC000624620811 344108470 /nfs/dbraw/zinc/10/84/70/344108470.db2.gz MVVDDLZWRDKXCO-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc(NC[C@@H]2COCC[N@H+]2C)ncn1 ZINC000624620811 344108472 /nfs/dbraw/zinc/10/84/72/344108472.db2.gz MVVDDLZWRDKXCO-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NCC1CCC1 ZINC000641272725 362340303 /nfs/dbraw/zinc/34/03/03/362340303.db2.gz DELPTXLEWLVGDA-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cscn1 ZINC000330868845 187358549 /nfs/dbraw/zinc/35/85/49/187358549.db2.gz YRIYJRANXNQFRO-SNVBAGLBSA-N 1 2 228.317 0.915 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cscn1 ZINC000330868845 187358551 /nfs/dbraw/zinc/35/85/51/187358551.db2.gz YRIYJRANXNQFRO-SNVBAGLBSA-N 1 2 228.317 0.915 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccnc1C(N)=O ZINC000641287270 362344512 /nfs/dbraw/zinc/34/45/12/362344512.db2.gz KCWDZWUQVZQDKL-QMMMGPOBSA-N 1 2 246.274 0.273 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cscn1 ZINC000330868844 187358631 /nfs/dbraw/zinc/35/86/31/187358631.db2.gz YRIYJRANXNQFRO-JTQLQIEISA-N 1 2 228.317 0.915 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cscn1 ZINC000330868844 187358633 /nfs/dbraw/zinc/35/86/33/187358633.db2.gz YRIYJRANXNQFRO-JTQLQIEISA-N 1 2 228.317 0.915 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000330967434 187358746 /nfs/dbraw/zinc/35/87/46/187358746.db2.gz BIASQSKCSOZKBT-GFCCVEGCSA-N 1 2 239.319 0.796 20 0 BCADLO O=C(CNc1cc(CO)cc[nH+]1)N1CCCCC1 ZINC000641291047 362346769 /nfs/dbraw/zinc/34/67/69/362346769.db2.gz VEXBMIWVUJEWHJ-UHFFFAOYSA-N 1 2 249.314 0.998 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc(CO)cc[nH+]1 ZINC000641298417 362352617 /nfs/dbraw/zinc/35/26/17/362352617.db2.gz CKFBOOGKJPYDIZ-MWLCHTKSSA-N 1 2 249.314 0.664 20 0 BCADLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641259518 362335332 /nfs/dbraw/zinc/33/53/32/362335332.db2.gz BLVMAXFZTCTJHI-VIFPVBQESA-N 1 2 243.332 0.601 20 0 BCADLO CC[C@@H](C)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641316824 362362435 /nfs/dbraw/zinc/36/24/35/362362435.db2.gz WAMBQJLGJCRZMZ-SNVBAGLBSA-N 1 2 245.348 0.943 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)n1C ZINC000221464448 259373302 /nfs/dbraw/zinc/37/33/02/259373302.db2.gz LHJFOKQFSKTYQX-WPRPVWTQSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1C ZINC000221464448 259373304 /nfs/dbraw/zinc/37/33/04/259373304.db2.gz LHJFOKQFSKTYQX-WPRPVWTQSA-N 1 2 224.308 0.326 20 0 BCADLO CCCN(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641303678 362357272 /nfs/dbraw/zinc/35/72/72/362357272.db2.gz YVBXUFXWRJAWIT-UHFFFAOYSA-N 1 2 245.348 0.945 20 0 BCADLO COCCOCCNc1cc[nH+]cc1F ZINC000641309500 362359974 /nfs/dbraw/zinc/35/99/74/362359974.db2.gz SZPULVKJPFASAJ-UHFFFAOYSA-N 1 2 214.240 0.718 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H](C)O)C1CC1 ZINC000234564180 344146045 /nfs/dbraw/zinc/14/60/45/344146045.db2.gz QRNFCXLMUXDQHR-IONNQARKSA-N 1 2 201.266 0.299 20 0 BCADLO CC(C)N1C[C@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641331749 362366542 /nfs/dbraw/zinc/36/65/42/362366542.db2.gz PZSOBECCZXICEG-LLVKDONJSA-N 1 2 249.314 0.995 20 0 BCADLO Cc1cncnc1N(C)CC[NH+]1CCOCC1 ZINC000641336280 362367727 /nfs/dbraw/zinc/36/77/27/362367727.db2.gz UYJGXVVQQNUOSI-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO Cc1cc(NC(=O)CN(C)C(=O)C2CC2)cc[nH+]1 ZINC000603275040 349905823 /nfs/dbraw/zinc/90/58/23/349905823.db2.gz ZRAHSXFNAXIVGA-UHFFFAOYSA-N 1 2 247.298 0.619 20 0 BCADLO CCOC(=O)C[NH2+]C1(COC)CCOCC1 ZINC000590371801 347037615 /nfs/dbraw/zinc/03/76/15/347037615.db2.gz JNXOVDBSPYSFQG-UHFFFAOYSA-N 1 2 231.292 0.335 20 0 BCADLO C[C@@H](Cn1cncn1)Nc1cc(CO)cc[nH+]1 ZINC000641322276 362362963 /nfs/dbraw/zinc/36/29/63/362362963.db2.gz XISPFGFKIWCAQG-VIFPVBQESA-N 1 2 233.275 0.666 20 0 BCADLO C[C@H](Cn1cncn1)Nc1cc(CO)cc[nH+]1 ZINC000641322275 362363041 /nfs/dbraw/zinc/36/30/41/362363041.db2.gz XISPFGFKIWCAQG-SECBINFHSA-N 1 2 233.275 0.666 20 0 BCADLO CCOC1CC[NH+](CC(=O)OC)CC1 ZINC000040689608 344183763 /nfs/dbraw/zinc/18/37/63/344183763.db2.gz SKLRYIITJUKJSK-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628135506 344194320 /nfs/dbraw/zinc/19/43/20/344194320.db2.gz YSLQBMXKDBANKF-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628135506 344194321 /nfs/dbraw/zinc/19/43/21/344194321.db2.gz YSLQBMXKDBANKF-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000228173897 259374458 /nfs/dbraw/zinc/37/44/58/259374458.db2.gz QHKUOXYFQRJCMU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000228173897 259374460 /nfs/dbraw/zinc/37/44/60/259374460.db2.gz QHKUOXYFQRJCMU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)C1CC(O)C1 ZINC000408215071 344251593 /nfs/dbraw/zinc/25/15/93/344251593.db2.gz NZNFDJNWOAIXHF-UHFFFAOYSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)C1CC(O)C1 ZINC000408215071 344251595 /nfs/dbraw/zinc/25/15/95/344251595.db2.gz NZNFDJNWOAIXHF-UHFFFAOYSA-N 1 2 224.308 0.562 20 0 BCADLO OCc1cc[nH+]c(NC[C@H](O)C2CC2)c1 ZINC000641343291 362371145 /nfs/dbraw/zinc/37/11/45/362371145.db2.gz OEZVUAPRDKYJGA-JTQLQIEISA-N 1 2 208.261 0.757 20 0 BCADLO CN(C1CCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641357520 362374647 /nfs/dbraw/zinc/37/46/47/362374647.db2.gz WDAJXQYFALRIES-UHFFFAOYSA-N 1 2 243.332 0.697 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247460294 344273483 /nfs/dbraw/zinc/27/34/83/344273483.db2.gz IIALWEAIFMNUES-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247460294 344273484 /nfs/dbraw/zinc/27/34/84/344273484.db2.gz IIALWEAIFMNUES-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869278 344242362 /nfs/dbraw/zinc/24/23/62/344242362.db2.gz FCCKFKAUSJJDDN-VIFPVBQESA-N 1 2 237.307 0.056 20 0 BCADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869278 344242365 /nfs/dbraw/zinc/24/23/65/344242365.db2.gz FCCKFKAUSJJDDN-VIFPVBQESA-N 1 2 237.307 0.056 20 0 BCADLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000625869422 344242518 /nfs/dbraw/zinc/24/25/18/344242518.db2.gz NPBWJACVZSDYKY-QMMMGPOBSA-N 1 2 241.316 0.601 20 0 BCADLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000625869422 344242519 /nfs/dbraw/zinc/24/25/19/344242519.db2.gz NPBWJACVZSDYKY-QMMMGPOBSA-N 1 2 241.316 0.601 20 0 BCADLO Cc1cnn(CC(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000620594406 344329181 /nfs/dbraw/zinc/32/91/81/344329181.db2.gz ABIGGKNTZJMTPV-JTQLQIEISA-N 1 2 247.302 0.802 20 0 BCADLO O=S1(=O)CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641382380 362384712 /nfs/dbraw/zinc/38/47/12/362384712.db2.gz PDQVWVCOCQLPGY-MRVPVSSYSA-N 1 2 244.291 0.632 20 0 BCADLO CNC(=O)[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641368653 362379817 /nfs/dbraw/zinc/37/98/17/362379817.db2.gz WMVUCURECNHQIW-NSHDSACASA-N 1 2 249.314 0.536 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2nc3ccccn3n2)C1 ZINC000094602071 537843675 /nfs/dbraw/zinc/84/36/75/537843675.db2.gz VGHBBACLXRHYGY-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2nc3ccccn3n2)C1 ZINC000094602071 537843687 /nfs/dbraw/zinc/84/36/87/537843687.db2.gz VGHBBACLXRHYGY-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO O=C(C(F)F)N1CC[NH+](C2CC2)CC1 ZINC000236131957 344300535 /nfs/dbraw/zinc/30/05/35/344300535.db2.gz AMGZNPISJXJFND-UHFFFAOYSA-N 1 2 204.220 0.558 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093050086 344307663 /nfs/dbraw/zinc/30/76/63/344307663.db2.gz JMJWKQZANJMWMJ-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093050086 344307664 /nfs/dbraw/zinc/30/76/64/344307664.db2.gz JMJWKQZANJMWMJ-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO COC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000408296900 344469401 /nfs/dbraw/zinc/46/94/01/344469401.db2.gz DCZXMRFJWPPUNR-UHFFFAOYSA-N 1 2 240.307 0.746 20 0 BCADLO CCn1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1 ZINC000624075465 344470222 /nfs/dbraw/zinc/47/02/22/344470222.db2.gz FTPKBVMHETWRRX-UHFFFAOYSA-N 1 2 247.302 0.838 20 0 BCADLO COC1CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000624075547 344470464 /nfs/dbraw/zinc/47/04/64/344470464.db2.gz KMNAPFULEFDTDG-UHFFFAOYSA-N 1 2 223.276 0.424 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](C)Cn1cncn1 ZINC000381299580 344493632 /nfs/dbraw/zinc/49/36/32/344493632.db2.gz HRZGOAVFUNYDKY-MRVPVSSYSA-N 1 2 220.280 0.488 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC[C@H](CO)C3)c2C1 ZINC000408213044 344570450 /nfs/dbraw/zinc/57/04/50/344570450.db2.gz CALJQDYAMWORPF-JTQLQIEISA-N 1 2 248.330 0.283 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CC[C@H](CO)C3)c2C1 ZINC000408213044 344570454 /nfs/dbraw/zinc/57/04/54/344570454.db2.gz CALJQDYAMWORPF-JTQLQIEISA-N 1 2 248.330 0.283 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CC=CCC1 ZINC000641415572 362402644 /nfs/dbraw/zinc/40/26/44/362402644.db2.gz QHSZISGSQRCGLE-UHFFFAOYSA-N 1 2 241.316 0.475 20 0 BCADLO C[C@@H]1CSC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000306928132 344518679 /nfs/dbraw/zinc/51/86/79/344518679.db2.gz WWHZOPXGTKWKIY-RNFRBKRXSA-N 1 2 213.310 0.051 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000043627705 344528890 /nfs/dbraw/zinc/52/88/90/344528890.db2.gz RVLNHOTYUMASBS-DTWKUNHWSA-N 1 2 211.265 0.423 20 0 BCADLO O[C@@]1(CNc2cc[nH+]cc2F)CCSC1 ZINC000641414186 362404840 /nfs/dbraw/zinc/40/48/40/362404840.db2.gz DEWGXPYPSXIDBU-SNVBAGLBSA-N 1 2 228.292 0.923 20 0 BCADLO Cn1ncnc1CNc1cc(CO)cc[nH+]1 ZINC000641408853 362399954 /nfs/dbraw/zinc/39/99/54/362399954.db2.gz LHSXSKJELVXCBI-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO OCC[C@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641440266 362420150 /nfs/dbraw/zinc/42/01/50/362420150.db2.gz HUTOPEDLIZUPEV-GFCCVEGCSA-N 1 2 240.278 0.844 20 0 BCADLO CNC(=O)[C@@H](Nc1cc(CO)cc[nH+]1)C(C)C ZINC000641452476 362426120 /nfs/dbraw/zinc/42/61/20/362426120.db2.gz ZWQRERXXVYRCOR-NSHDSACASA-N 1 2 237.303 0.756 20 0 BCADLO OCc1cc[nH+]c(NC[C@@]2(O)CCOC2)c1 ZINC000641462033 362436774 /nfs/dbraw/zinc/43/67/74/362436774.db2.gz OJTPIRARJYPONX-NSHDSACASA-N 1 2 224.260 0.137 20 0 BCADLO COC(=O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000048776358 344589454 /nfs/dbraw/zinc/58/94/54/344589454.db2.gz YFSNMURHDZTYOT-UHFFFAOYSA-N 1 2 215.249 0.044 20 0 BCADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1ncnn1C ZINC000641549051 362491499 /nfs/dbraw/zinc/49/14/99/362491499.db2.gz RFGQPPGXQHPZGR-QMMMGPOBSA-N 1 2 233.275 0.876 20 0 BCADLO O=C(CNc1cc(CO)cc[nH+]1)NCC1CC1 ZINC000641483754 362452256 /nfs/dbraw/zinc/45/22/56/362452256.db2.gz VFMOFBVOIQUEBP-UHFFFAOYSA-N 1 2 235.287 0.512 20 0 BCADLO CCN1CCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641487636 362454659 /nfs/dbraw/zinc/45/46/59/362454659.db2.gz AJQLBSVPDXGCKV-UHFFFAOYSA-N 1 2 235.287 0.242 20 0 BCADLO CNC(=O)[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641486310 362456123 /nfs/dbraw/zinc/45/61/23/362456123.db2.gz UBUJKGCRAVSRHQ-JTQLQIEISA-N 1 2 239.250 0.172 20 0 BCADLO CNC(=O)[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641486311 362456571 /nfs/dbraw/zinc/45/65/71/362456571.db2.gz UBUJKGCRAVSRHQ-SNVBAGLBSA-N 1 2 239.250 0.172 20 0 BCADLO CO[C@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641491197 362459374 /nfs/dbraw/zinc/45/93/74/362459374.db2.gz NKSKGXWSJRIALN-NSHDSACASA-N 1 2 226.251 0.860 20 0 BCADLO CN(CC1(O)CCC1)c1cc(CO)cc[nH+]1 ZINC000641517897 362472574 /nfs/dbraw/zinc/47/25/74/362472574.db2.gz XLIMTVSOPWCPFL-UHFFFAOYSA-N 1 2 222.288 0.925 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](CO)O1 ZINC000641545827 362493400 /nfs/dbraw/zinc/49/34/00/362493400.db2.gz ZNBWWJGKXPPPIU-RKDXNWHRSA-N 1 2 226.251 0.807 20 0 BCADLO COCCCN(CCO)c1cc(CO)cc[nH+]1 ZINC000641521949 362479382 /nfs/dbraw/zinc/47/93/82/362479382.db2.gz WKNKJGWEYFPFSS-UHFFFAOYSA-N 1 2 240.303 0.409 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006162 344664515 /nfs/dbraw/zinc/66/45/15/344664515.db2.gz SCRTZQDRMPIHRC-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006162 344664517 /nfs/dbraw/zinc/66/45/17/344664517.db2.gz SCRTZQDRMPIHRC-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO O[C@@H](C[N@@H+]1CCO[C@H](CCF)C1)C(F)(F)F ZINC000626004806 344666915 /nfs/dbraw/zinc/66/69/15/344666915.db2.gz OVFVYBSMJUHXPA-SFYZADRCSA-N 1 2 245.216 0.970 20 0 BCADLO O[C@@H](C[N@H+]1CCO[C@H](CCF)C1)C(F)(F)F ZINC000626004806 344666916 /nfs/dbraw/zinc/66/69/16/344666916.db2.gz OVFVYBSMJUHXPA-SFYZADRCSA-N 1 2 245.216 0.970 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005647 344668394 /nfs/dbraw/zinc/66/83/94/344668394.db2.gz HCRWSMDWCORLIN-GHMZBOCLSA-N 1 2 233.283 0.387 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005647 344668395 /nfs/dbraw/zinc/66/83/95/344668395.db2.gz HCRWSMDWCORLIN-GHMZBOCLSA-N 1 2 233.283 0.387 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC000626015491 344671245 /nfs/dbraw/zinc/67/12/45/344671245.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 1 2 222.292 0.399 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000626015491 344671247 /nfs/dbraw/zinc/67/12/47/344671247.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 1 2 222.292 0.399 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000626015491 344671250 /nfs/dbraw/zinc/67/12/50/344671250.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 1 2 222.292 0.399 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@H+](Cc1cn[nH]n1)C2 ZINC000626015491 344671251 /nfs/dbraw/zinc/67/12/51/344671251.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 1 2 222.292 0.399 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000626015491 344671253 /nfs/dbraw/zinc/67/12/53/344671253.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 1 2 222.292 0.399 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026008 344678209 /nfs/dbraw/zinc/67/82/09/344678209.db2.gz SDNXMCZOIMJOMN-QMMMGPOBSA-N 1 2 220.272 0.624 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCc2c(O)cccc2C1 ZINC000626026008 344678212 /nfs/dbraw/zinc/67/82/12/344678212.db2.gz SDNXMCZOIMJOMN-QMMMGPOBSA-N 1 2 220.272 0.624 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[C@H]1O ZINC000618268405 344719912 /nfs/dbraw/zinc/71/99/12/344719912.db2.gz CWLDGXJWESNSIL-IAZYJMLFSA-N 1 2 237.303 0.358 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000626077434 344724398 /nfs/dbraw/zinc/72/43/98/344724398.db2.gz JWIWIIUZDYNIHX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000626077434 344724400 /nfs/dbraw/zinc/72/44/00/344724400.db2.gz JWIWIIUZDYNIHX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cn(C)nc1C(=O)N1CC[NH+](C)CC1 ZINC000082303353 344730031 /nfs/dbraw/zinc/73/00/31/344730031.db2.gz BJMVWKRNMFSQTH-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO Cc1nccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000082303441 344730077 /nfs/dbraw/zinc/73/00/77/344730077.db2.gz UPBUBUDARAFQEL-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO CN1C[C@@H](C[N@H+](C)Cc2cnccn2)OC1=O ZINC000496195027 530016817 /nfs/dbraw/zinc/01/68/17/530016817.db2.gz JNQXIXADXMJHPN-SNVBAGLBSA-N 1 2 236.275 0.359 20 0 BCADLO CN1C[C@@H](C[N@@H+](C)Cc2cnccn2)OC1=O ZINC000496195027 530016818 /nfs/dbraw/zinc/01/68/18/530016818.db2.gz JNQXIXADXMJHPN-SNVBAGLBSA-N 1 2 236.275 0.359 20 0 BCADLO CN(Cc1cnn(C)c1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493750250 530017579 /nfs/dbraw/zinc/01/75/79/530017579.db2.gz HQJUESBTJSKKDP-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(O)CCC1 ZINC000158616966 344698625 /nfs/dbraw/zinc/69/86/25/344698625.db2.gz NOIHCXBLYKZIJR-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO COCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082276435 344713558 /nfs/dbraw/zinc/71/35/58/344713558.db2.gz BIEBFWOGQODIFY-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000050063780 344717643 /nfs/dbraw/zinc/71/76/43/344717643.db2.gz WEZPGLAUKHEHHB-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000050063780 344717644 /nfs/dbraw/zinc/71/76/44/344717644.db2.gz WEZPGLAUKHEHHB-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050050704 344717819 /nfs/dbraw/zinc/71/78/19/344717819.db2.gz TZZPYKVLLFQPEE-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000050050704 344717822 /nfs/dbraw/zinc/71/78/22/344717822.db2.gz TZZPYKVLLFQPEE-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000336028658 534965723 /nfs/dbraw/zinc/96/57/23/534965723.db2.gz XXLAQOMQKAVFEO-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000336028658 534965728 /nfs/dbraw/zinc/96/57/28/534965728.db2.gz XXLAQOMQKAVFEO-VXGBXAGGSA-N 1 2 241.379 0.878 20 0 BCADLO CN1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000493710701 530055216 /nfs/dbraw/zinc/05/52/16/530055216.db2.gz COQWWQOUGBVENF-UMCURTJPSA-N 1 2 248.286 0.160 20 0 BCADLO O=C(C[NH+]1CCSCC1)NC1CCOCC1 ZINC000076492098 344803513 /nfs/dbraw/zinc/80/35/13/344803513.db2.gz JBLIXGDICYHDOE-UHFFFAOYSA-N 1 2 244.360 0.330 20 0 BCADLO C[C@@H]([N@H+](C)CC(=O)Nc1nn[nH]n1)C(C)(C)C ZINC000583367849 344836646 /nfs/dbraw/zinc/83/66/46/344836646.db2.gz KUEZVFPOZLVNDX-SSDOTTSWSA-N 1 2 240.311 0.505 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000628147926 344833157 /nfs/dbraw/zinc/83/31/57/344833157.db2.gz ASBULRJKHOJJNG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC000628147926 344833160 /nfs/dbraw/zinc/83/31/60/344833160.db2.gz ASBULRJKHOJJNG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cn1cc([C@H](O)CNc2cccc[nH+]2)cn1 ZINC000078375219 344856009 /nfs/dbraw/zinc/85/60/09/344856009.db2.gz ZSYZDQJPXLUHSR-SNVBAGLBSA-N 1 2 218.260 0.961 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1cc[nH+]cc1F ZINC000641550886 362496022 /nfs/dbraw/zinc/49/60/22/362496022.db2.gz YLJMVXQGKLYAGL-QMMMGPOBSA-N 1 2 225.267 0.921 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000408241432 344870988 /nfs/dbraw/zinc/87/09/88/344870988.db2.gz WOAUJAMHDOXZGR-JTQLQIEISA-N 1 2 237.303 0.714 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000408241432 344870990 /nfs/dbraw/zinc/87/09/90/344870990.db2.gz WOAUJAMHDOXZGR-JTQLQIEISA-N 1 2 237.303 0.714 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000153508187 344893382 /nfs/dbraw/zinc/89/33/82/344893382.db2.gz LXWVLTBNDWLLTP-NSHDSACASA-N 1 2 223.276 0.990 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000153508187 344893385 /nfs/dbraw/zinc/89/33/85/344893385.db2.gz LXWVLTBNDWLLTP-NSHDSACASA-N 1 2 223.276 0.990 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]CCCO)no1 ZINC000330363826 344897160 /nfs/dbraw/zinc/89/71/60/344897160.db2.gz UYYPQXKHHHXJTQ-UHFFFAOYSA-N 1 2 213.281 0.839 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000678719276 488278225 /nfs/dbraw/zinc/27/82/25/488278225.db2.gz XWBDUEWCGHHTJZ-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000678719276 488278230 /nfs/dbraw/zinc/27/82/30/488278230.db2.gz XWBDUEWCGHHTJZ-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@@H](CO)O1 ZINC000249392012 537872212 /nfs/dbraw/zinc/87/22/12/537872212.db2.gz SCCZFILLBJTULP-KOLCDFICSA-N 1 2 223.276 0.058 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@@H](CO)O1 ZINC000249392012 537872221 /nfs/dbraw/zinc/87/22/21/537872221.db2.gz SCCZFILLBJTULP-KOLCDFICSA-N 1 2 223.276 0.058 20 0 BCADLO COCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000078798846 344906955 /nfs/dbraw/zinc/90/69/55/344906955.db2.gz LASPTWSZQKCZLI-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CN1CC[N@H+](Cc2cccc3n[nH]cc32)CC1=O ZINC000628177731 344907134 /nfs/dbraw/zinc/90/71/34/344907134.db2.gz LYBRXVCJSRRRHU-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO CN1CC[N@@H+](Cc2cccc3n[nH]cc32)CC1=O ZINC000628177731 344907135 /nfs/dbraw/zinc/90/71/35/344907135.db2.gz LYBRXVCJSRRRHU-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO Cc1c[nH]c(CN2CCS(=O)(=O)C[C@@H]2C)[nH+]1 ZINC000628179221 344914053 /nfs/dbraw/zinc/91/40/53/344914053.db2.gz SCLQAWXBQMVYLB-VIFPVBQESA-N 1 2 243.332 0.337 20 0 BCADLO Cc1c[nH]c(CN2CCS(=O)(=O)C[C@H]2C)[nH+]1 ZINC000628179220 344914290 /nfs/dbraw/zinc/91/42/90/344914290.db2.gz SCLQAWXBQMVYLB-SECBINFHSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000628181202 344920138 /nfs/dbraw/zinc/92/01/38/344920138.db2.gz USUYPKMUGSPDKD-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000628181202 344920143 /nfs/dbraw/zinc/92/01/43/344920143.db2.gz USUYPKMUGSPDKD-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO CC(=O)NCCNC(=O)Nc1cc[nH+]cc1C ZINC000121756269 187296012 /nfs/dbraw/zinc/29/60/12/187296012.db2.gz JZHDRQQOQYYFCW-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO CCC1(O)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000089652681 168506520 /nfs/dbraw/zinc/50/65/20/168506520.db2.gz YXVGJKHNCYPDPF-UHFFFAOYSA-N 1 2 233.275 0.324 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC3(CC3)CC2)[nH]1 ZINC000678722148 488279156 /nfs/dbraw/zinc/27/91/56/488279156.db2.gz WPJOIKOAKONZAT-UHFFFAOYSA-N 1 2 208.265 0.886 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000628189905 344942546 /nfs/dbraw/zinc/94/25/46/344942546.db2.gz PSUZUYVXAANIHL-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000628189905 344942547 /nfs/dbraw/zinc/94/25/47/344942547.db2.gz PSUZUYVXAANIHL-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO COC(=O)C[N@H+](CCn1cccn1)C1CC1 ZINC000079500326 344981246 /nfs/dbraw/zinc/98/12/46/344981246.db2.gz MZHGYBJSUNDMSX-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO COC(=O)C[N@@H+](CCn1cccn1)C1CC1 ZINC000079500326 344981250 /nfs/dbraw/zinc/98/12/50/344981250.db2.gz MZHGYBJSUNDMSX-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO COCC[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641552965 362497825 /nfs/dbraw/zinc/49/78/25/362497825.db2.gz TWIMIWXPTRCDSF-QMMMGPOBSA-N 1 2 214.240 0.452 20 0 BCADLO C[C@H](Nc1cc[nH+]cc1F)C(=O)NCCF ZINC000641556707 362500373 /nfs/dbraw/zinc/50/03/73/362500373.db2.gz XCJKHNFCMOTZOJ-ZETCQYMHSA-N 1 2 229.230 0.529 20 0 BCADLO Cc1cccn2cc(C[S@@](=O)CCO)[nH+]c12 ZINC000136425563 187299476 /nfs/dbraw/zinc/29/94/76/187299476.db2.gz VZYXETSLFQVMMH-MRXNPFEDSA-N 1 2 238.312 0.884 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154139933 345016848 /nfs/dbraw/zinc/01/68/48/345016848.db2.gz CNCOVIFYTQNNDE-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000154139933 345016852 /nfs/dbraw/zinc/01/68/52/345016852.db2.gz CNCOVIFYTQNNDE-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154202164 345019540 /nfs/dbraw/zinc/01/95/40/345019540.db2.gz GJEAEKQXTBHCGE-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154202164 345019542 /nfs/dbraw/zinc/01/95/42/345019542.db2.gz GJEAEKQXTBHCGE-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000408278565 345024133 /nfs/dbraw/zinc/02/41/33/345024133.db2.gz XJCHHPNQNLOTLN-KHQFGBGNSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000408278565 345024136 /nfs/dbraw/zinc/02/41/36/345024136.db2.gz XJCHHPNQNLOTLN-KHQFGBGNSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000408278633 345024758 /nfs/dbraw/zinc/02/47/58/345024758.db2.gz XJCHHPNQNLOTLN-NQMVMOMDSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000408278633 345024760 /nfs/dbraw/zinc/02/47/60/345024760.db2.gz XJCHHPNQNLOTLN-NQMVMOMDSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641585582 362523861 /nfs/dbraw/zinc/52/38/61/362523861.db2.gz BKGMMKZKNUZKBJ-PTRXPTGYSA-N 1 2 235.287 0.182 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641585582 362523864 /nfs/dbraw/zinc/52/38/64/362523864.db2.gz BKGMMKZKNUZKBJ-PTRXPTGYSA-N 1 2 235.287 0.182 20 0 BCADLO C[C@@H](O)[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641637429 362568343 /nfs/dbraw/zinc/56/83/43/362568343.db2.gz JWSFBDAVKJGRDH-KOLCDFICSA-N 1 2 238.287 0.160 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCSC[C@H]2C(N)=O)O1 ZINC000408305365 345097805 /nfs/dbraw/zinc/09/78/05/345097805.db2.gz JIOSGTZQFVNNGY-UTLUCORTSA-N 1 2 244.360 0.457 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCSC[C@H]2C(N)=O)O1 ZINC000408305365 345097808 /nfs/dbraw/zinc/09/78/08/345097808.db2.gz JIOSGTZQFVNNGY-UTLUCORTSA-N 1 2 244.360 0.457 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(C)=O ZINC000155777955 345101835 /nfs/dbraw/zinc/10/18/35/345101835.db2.gz MZCCHTGMEKKMML-NXEZZACHSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(C)=O ZINC000155777955 345101838 /nfs/dbraw/zinc/10/18/38/345101838.db2.gz MZCCHTGMEKKMML-NXEZZACHSA-N 1 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CCC[C@H](O)[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641632923 362563993 /nfs/dbraw/zinc/56/39/93/362563993.db2.gz ONDSNYCPRHTGGN-QWRGUYRKSA-N 1 2 240.303 0.508 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc[nH+]cc1F ZINC000641633870 362565253 /nfs/dbraw/zinc/56/52/53/362565253.db2.gz UIWHAJJIOJDETP-QWRGUYRKSA-N 1 2 228.267 0.576 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641638285 362566318 /nfs/dbraw/zinc/56/63/18/362566318.db2.gz BFZBQELJFJRJCU-LLVKDONJSA-N 1 2 235.287 0.289 20 0 BCADLO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccon1 ZINC000634960598 345134561 /nfs/dbraw/zinc/13/45/61/345134561.db2.gz WHPADZRGZMWEEE-UHFFFAOYSA-N 1 2 247.320 0.092 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCOC)[nH+]1 ZINC000635057355 345231410 /nfs/dbraw/zinc/23/14/10/345231410.db2.gz UDDZCVRORNIHST-UHFFFAOYSA-N 1 2 211.265 0.277 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@H](O)C1 ZINC000635067382 345235677 /nfs/dbraw/zinc/23/56/77/345235677.db2.gz RCJXFMSOIMIFQF-AOOOYVTPSA-N 1 2 223.276 0.160 20 0 BCADLO CCOCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635349507 345317597 /nfs/dbraw/zinc/31/75/97/345317597.db2.gz DZAMLSRBFHSYSE-UHFFFAOYSA-N 1 2 225.292 0.667 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000408468758 345320483 /nfs/dbraw/zinc/32/04/83/345320483.db2.gz RIXOQWLHIJPKEM-KHQFGBGNSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000408468758 345320485 /nfs/dbraw/zinc/32/04/85/345320485.db2.gz RIXOQWLHIJPKEM-KHQFGBGNSA-N 1 2 224.308 0.877 20 0 BCADLO CC[N@H+](CCCNC(=O)C(N)=O)c1ccccc1 ZINC000635139568 345257897 /nfs/dbraw/zinc/25/78/97/345257897.db2.gz GVHAQPQDIVVOQH-UHFFFAOYSA-N 1 2 249.314 0.505 20 0 BCADLO CC[N@@H+](CCCNC(=O)C(N)=O)c1ccccc1 ZINC000635139568 345257899 /nfs/dbraw/zinc/25/78/99/345257899.db2.gz GVHAQPQDIVVOQH-UHFFFAOYSA-N 1 2 249.314 0.505 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000626111661 345273291 /nfs/dbraw/zinc/27/32/91/345273291.db2.gz WHIVEVFCUIEBJA-UHFFFAOYSA-N 1 2 228.296 0.493 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000626111661 345273294 /nfs/dbraw/zinc/27/32/94/345273294.db2.gz WHIVEVFCUIEBJA-UHFFFAOYSA-N 1 2 228.296 0.493 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CO)[nH+]1 ZINC000635250444 345282394 /nfs/dbraw/zinc/28/23/94/345282394.db2.gz WTTCKSZQMAEXIH-ZETCQYMHSA-N 1 2 211.265 0.012 20 0 BCADLO CC(C)C[C@@H](C(=O)NCCCO)n1cc[nH+]c1 ZINC000635248204 345284457 /nfs/dbraw/zinc/28/44/57/345284457.db2.gz INYXCJUMEGQKPQ-NSHDSACASA-N 1 2 239.319 0.969 20 0 BCADLO CC(C)C[C@H](C(=O)NCCCO)n1cc[nH+]c1 ZINC000635248202 345284658 /nfs/dbraw/zinc/28/46/58/345284658.db2.gz INYXCJUMEGQKPQ-LLVKDONJSA-N 1 2 239.319 0.969 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](C)O)[nH+]1 ZINC000635249461 345286872 /nfs/dbraw/zinc/28/68/72/345286872.db2.gz WEDQVQFOIUAAKY-ZETCQYMHSA-N 1 2 211.265 0.012 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000635281346 345293936 /nfs/dbraw/zinc/29/39/36/345293936.db2.gz OSCFTYRPLZRKSH-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2cn[nH]c2)[nH+]1 ZINC000635282396 345294798 /nfs/dbraw/zinc/29/47/98/345294798.db2.gz PRXWUEOVZZZCEL-UHFFFAOYSA-N 1 2 219.248 0.876 20 0 BCADLO OCCC[N@H+](CCO)Cc1cscn1 ZINC000164160148 187302629 /nfs/dbraw/zinc/30/26/29/187302629.db2.gz VJFGWSXUKQZDSS-UHFFFAOYSA-N 1 2 216.306 0.320 20 0 BCADLO OCCC[N@@H+](CCO)Cc1cscn1 ZINC000164160148 187302631 /nfs/dbraw/zinc/30/26/31/187302631.db2.gz VJFGWSXUKQZDSS-UHFFFAOYSA-N 1 2 216.306 0.320 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCNC(=O)C1 ZINC000151572466 345378081 /nfs/dbraw/zinc/37/80/81/345378081.db2.gz BQIIJZAUCHUPIS-ZETCQYMHSA-N 1 2 235.243 0.252 20 0 BCADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)S(C)(=O)=O ZINC000158402019 345329971 /nfs/dbraw/zinc/32/99/71/345329971.db2.gz JMPNWHGQNOVNFW-LURJTMIESA-N 1 2 243.288 0.035 20 0 BCADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)S(C)(=O)=O ZINC000158402162 345330142 /nfs/dbraw/zinc/33/01/42/345330142.db2.gz JMPNWHGQNOVNFW-ZCFIWIBFSA-N 1 2 243.288 0.035 20 0 BCADLO CN(c1cccc[nH+]1)[C@H]1CCN(C)C1=O ZINC000080693731 345436659 /nfs/dbraw/zinc/43/66/59/345436659.db2.gz QYVYEGVQGZVZIM-VIFPVBQESA-N 1 2 205.261 0.749 20 0 BCADLO COC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000080696556 345439370 /nfs/dbraw/zinc/43/93/70/345439370.db2.gz YYORAYNGOQRISQ-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)C(=O)OC ZINC000158979724 345396274 /nfs/dbraw/zinc/39/62/74/345396274.db2.gz BOJKIDTUVUKNRA-MWLCHTKSSA-N 1 2 231.292 0.333 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000635497016 345399248 /nfs/dbraw/zinc/39/92/48/345399248.db2.gz VKQAQFSMNRXVGS-UTUOFQBUSA-N 1 2 249.314 0.818 20 0 BCADLO c1cn(CCCSCCc2nn[nH]n2)c[nH+]1 ZINC000603338869 349929553 /nfs/dbraw/zinc/92/95/53/349929553.db2.gz KKAGUMJXCKVQPZ-UHFFFAOYSA-N 1 2 238.320 0.762 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnns1 ZINC000082269673 345500042 /nfs/dbraw/zinc/50/00/42/345500042.db2.gz RJHITAWYOSWKQN-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO CN1CCN(c2cc[nH+]cc2F)CCC1=O ZINC000641660794 362587835 /nfs/dbraw/zinc/58/78/35/362587835.db2.gz KZDJPPPCDUMCSO-UHFFFAOYSA-N 1 2 223.251 0.889 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083444250 345506950 /nfs/dbraw/zinc/50/69/50/345506950.db2.gz SALXDKDQFNUVHA-QMMMGPOBSA-N 1 2 238.291 0.546 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC(=O)NC2)[nH+]1 ZINC000080973185 345457063 /nfs/dbraw/zinc/45/70/63/345457063.db2.gz RRTCXKRVARIFMH-QMMMGPOBSA-N 1 2 245.286 0.957 20 0 BCADLO CC(C)(C)[C@H](CCO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336652999 187305163 /nfs/dbraw/zinc/30/51/63/187305163.db2.gz FVYFIWBGDBVUNR-ZETCQYMHSA-N 1 2 228.296 0.397 20 0 BCADLO CC(C)[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081292461 345469117 /nfs/dbraw/zinc/46/91/17/345469117.db2.gz JSPOXLAARWTILT-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081292461 345469119 /nfs/dbraw/zinc/46/91/19/345469119.db2.gz JSPOXLAARWTILT-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000081350189 345470697 /nfs/dbraw/zinc/47/06/97/345470697.db2.gz HVPURHBIVZYUEB-SECBINFHSA-N 1 2 225.317 0.847 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000335786873 345527451 /nfs/dbraw/zinc/52/74/51/345527451.db2.gz INVBNBYWYROHEK-OLZOCXBDSA-N 1 2 246.310 0.842 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000335786873 345527452 /nfs/dbraw/zinc/52/74/52/345527452.db2.gz INVBNBYWYROHEK-OLZOCXBDSA-N 1 2 246.310 0.842 20 0 BCADLO CN(CCOCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000088332769 345550031 /nfs/dbraw/zinc/55/00/31/345550031.db2.gz VBKNLRRRIUJKDG-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCc1cnn[nH]1 ZINC000626121271 345517284 /nfs/dbraw/zinc/51/72/84/345517284.db2.gz CYSLLQWPBREIRU-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H]1C[C@H](CO)CC[N@H+]1CCc1cnn[nH]1 ZINC000626121271 345517287 /nfs/dbraw/zinc/51/72/87/345517287.db2.gz CYSLLQWPBREIRU-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCC1 ZINC000091551713 345597623 /nfs/dbraw/zinc/59/76/23/345597623.db2.gz VVQMQUSCSPBSTJ-UHFFFAOYSA-N 1 2 210.281 0.720 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCC1 ZINC000091551713 345597625 /nfs/dbraw/zinc/59/76/25/345597625.db2.gz VVQMQUSCSPBSTJ-UHFFFAOYSA-N 1 2 210.281 0.720 20 0 BCADLO C[C@@H]1C[C@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000091589278 345600275 /nfs/dbraw/zinc/60/02/75/345600275.db2.gz LWIZGFQYGXXZQM-RKDXNWHRSA-N 1 2 239.323 0.013 20 0 BCADLO C[C@@H]1C[C@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000091589278 345600276 /nfs/dbraw/zinc/60/02/76/345600276.db2.gz LWIZGFQYGXXZQM-RKDXNWHRSA-N 1 2 239.323 0.013 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042622 345614278 /nfs/dbraw/zinc/61/42/78/345614278.db2.gz GYBXBUTVANGFNP-GZMMTYOYSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042622 345614282 /nfs/dbraw/zinc/61/42/82/345614282.db2.gz GYBXBUTVANGFNP-GZMMTYOYSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092041317 345614524 /nfs/dbraw/zinc/61/45/24/345614524.db2.gz OLTSXRRGDOUPEY-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092041317 345614528 /nfs/dbraw/zinc/61/45/28/345614528.db2.gz OLTSXRRGDOUPEY-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO COCCCOCC[N@H+](C)Cc1nc(C)no1 ZINC000091101919 345586896 /nfs/dbraw/zinc/58/68/96/345586896.db2.gz XGIBHQJTASQBKZ-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1nc(C)no1 ZINC000091101919 345586898 /nfs/dbraw/zinc/58/68/98/345586898.db2.gz XGIBHQJTASQBKZ-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO OCc1cc[nH+]c(NC[C@H]2C[C@@H](O)C2)c1 ZINC000641687869 362608454 /nfs/dbraw/zinc/60/84/54/362608454.db2.gz MWASGIIZZSNMLV-AOOOYVTPSA-N 1 2 208.261 0.757 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107293357 187309043 /nfs/dbraw/zinc/30/90/43/187309043.db2.gz VBDAGOHLVXSMPG-MRVPVSSYSA-N 1 2 221.260 0.853 20 0 BCADLO O=C1NC2(CCC2)C(=O)N1CCn1cc[nH+]c1 ZINC000092893921 345646883 /nfs/dbraw/zinc/64/68/83/345646883.db2.gz QYCDKONDKULRDW-UHFFFAOYSA-N 1 2 234.259 0.358 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000641713133 362625661 /nfs/dbraw/zinc/62/56/61/362625661.db2.gz MERSTEWUYRLHMC-BXKDBHETSA-N 1 2 217.272 0.925 20 0 BCADLO O[C@H](CNc1cc[nH+]cc1F)[C@@H]1CCCO1 ZINC000641678073 362599618 /nfs/dbraw/zinc/59/96/18/362599618.db2.gz PZXKCYUEPHHBPD-MNOVXSKESA-N 1 2 226.251 0.594 20 0 BCADLO c1cn(-c2ccc(-c3nn[nH]n3)cn2)c[nH+]1 ZINC000095235299 345684266 /nfs/dbraw/zinc/68/42/66/345684266.db2.gz PTXKMDAGPDKGLA-UHFFFAOYSA-N 1 2 213.204 0.447 20 0 BCADLO COC[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000641719144 362634031 /nfs/dbraw/zinc/63/40/31/362634031.db2.gz DPOXGAZJSLUXHC-DTWKUNHWSA-N 1 2 240.307 0.716 20 0 BCADLO COC[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000641719144 362634033 /nfs/dbraw/zinc/63/40/33/362634033.db2.gz DPOXGAZJSLUXHC-DTWKUNHWSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncnn2C(C)C)C[C@H]1O ZINC000395471980 362638266 /nfs/dbraw/zinc/63/82/66/362638266.db2.gz IPQKNDCGHQPEPL-NXEZZACHSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C(C)C)C[C@H]1O ZINC000395471980 362638271 /nfs/dbraw/zinc/63/82/71/362638271.db2.gz IPQKNDCGHQPEPL-NXEZZACHSA-N 1 2 240.307 0.051 20 0 BCADLO C[C@@H](O)CCn1cc[nH+]c1CN1CCOCC1 ZINC000641724851 362640471 /nfs/dbraw/zinc/64/04/71/362640471.db2.gz IXDVPJUSKOMMCG-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000563138985 323095118 /nfs/dbraw/zinc/09/51/18/323095118.db2.gz XAGAGOLZNVXFQQ-RKDXNWHRSA-N 1 2 241.278 0.380 20 0 BCADLO Cc1nc(N2CCC[C@H]2CO)nc(N(C)C)[nH+]1 ZINC000147471912 345711034 /nfs/dbraw/zinc/71/10/34/345711034.db2.gz UMBOHCHWTWEBPS-VIFPVBQESA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC[C@H]2CO)[nH+]1 ZINC000147471912 345711036 /nfs/dbraw/zinc/71/10/36/345711036.db2.gz UMBOHCHWTWEBPS-VIFPVBQESA-N 1 2 237.307 0.207 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000145944710 345712335 /nfs/dbraw/zinc/71/23/35/345712335.db2.gz POLUNRNNBFZBBC-SECBINFHSA-N 1 2 200.282 0.089 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000145944710 345712337 /nfs/dbraw/zinc/71/23/37/345712337.db2.gz POLUNRNNBFZBBC-SECBINFHSA-N 1 2 200.282 0.089 20 0 BCADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(=O)[nH]1 ZINC000140869627 345824344 /nfs/dbraw/zinc/82/43/44/345824344.db2.gz ZWHDFVAYJRDMEP-MRVPVSSYSA-N 1 2 246.270 0.897 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H](O)C1 ZINC000635559686 345761172 /nfs/dbraw/zinc/76/11/72/345761172.db2.gz UYUQCBGLRCXRGV-PHIMTYICSA-N 1 2 237.303 0.550 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COCC1(C)C ZINC000622657452 345774214 /nfs/dbraw/zinc/77/42/14/345774214.db2.gz AUUUTMWYSIJABT-SNVBAGLBSA-N 1 2 237.303 0.504 20 0 BCADLO CC[C@@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000160118758 345800825 /nfs/dbraw/zinc/80/08/25/345800825.db2.gz QKWVAZRMNDVQBH-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO Cn1cc(CSCC[NH+]2CCOCC2)nn1 ZINC000092905947 345825336 /nfs/dbraw/zinc/82/53/36/345825336.db2.gz ZWMTXQONAWGBLV-UHFFFAOYSA-N 1 2 242.348 0.381 20 0 BCADLO COC[C@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000668419997 537912844 /nfs/dbraw/zinc/91/28/44/537912844.db2.gz RRANPFIGSUODNE-JTQLQIEISA-N 1 2 224.260 0.412 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000588969441 345837147 /nfs/dbraw/zinc/83/71/47/345837147.db2.gz GBBKLEGZLDLEMP-LPEHRKFASA-N 1 2 247.310 0.979 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)C(C)(C)C ZINC000588969441 345837151 /nfs/dbraw/zinc/83/71/51/345837151.db2.gz GBBKLEGZLDLEMP-LPEHRKFASA-N 1 2 247.310 0.979 20 0 BCADLO CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000276534813 345897749 /nfs/dbraw/zinc/89/77/49/345897749.db2.gz FJTQRJUQODNMCZ-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000276534813 345897752 /nfs/dbraw/zinc/89/77/52/345897752.db2.gz FJTQRJUQODNMCZ-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO O=C(Cc1ccco1)NCc1c[nH+]c[nH]1 ZINC000340473743 537916080 /nfs/dbraw/zinc/91/60/80/537916080.db2.gz OSSZEQYAPUKWFF-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO O=C(Cc1ccco1)NCc1c[nH]c[nH+]1 ZINC000340473743 537916095 /nfs/dbraw/zinc/91/60/95/537916095.db2.gz OSSZEQYAPUKWFF-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635632210 345907717 /nfs/dbraw/zinc/90/77/17/345907717.db2.gz XEQAKMPATZENRQ-HTQZYQBOSA-N 1 2 223.276 0.400 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635632210 345907719 /nfs/dbraw/zinc/90/77/19/345907719.db2.gz XEQAKMPATZENRQ-HTQZYQBOSA-N 1 2 223.276 0.400 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635642513 345915760 /nfs/dbraw/zinc/91/57/60/345915760.db2.gz SFNIOAPYWCCIJD-IWSPIJDZSA-N 1 2 223.276 0.352 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635642513 345915763 /nfs/dbraw/zinc/91/57/63/345915763.db2.gz SFNIOAPYWCCIJD-IWSPIJDZSA-N 1 2 223.276 0.352 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000620877819 345918983 /nfs/dbraw/zinc/91/89/83/345918983.db2.gz DXIGVNYGLWQOIC-QXEWZRGKSA-N 1 2 235.287 0.085 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000387793543 347088956 /nfs/dbraw/zinc/08/89/56/347088956.db2.gz LWEZLKXRFSEGAM-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000387793543 347088958 /nfs/dbraw/zinc/08/89/58/347088958.db2.gz LWEZLKXRFSEGAM-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635665385 345967687 /nfs/dbraw/zinc/96/76/87/345967687.db2.gz LBHSIKSHHWXMEJ-CKYFFXLPSA-N 1 2 249.314 0.743 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635665385 345967691 /nfs/dbraw/zinc/96/76/91/345967691.db2.gz LBHSIKSHHWXMEJ-CKYFFXLPSA-N 1 2 249.314 0.743 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1cnc[nH]1 ZINC000093320295 345968819 /nfs/dbraw/zinc/96/88/19/345968819.db2.gz SBVNLONKPAHXCD-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1cnc[nH]1 ZINC000093320295 345968824 /nfs/dbraw/zinc/96/88/24/345968824.db2.gz SBVNLONKPAHXCD-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635684671 345977265 /nfs/dbraw/zinc/97/72/65/345977265.db2.gz XSIMKPVPENOUPS-RKDXNWHRSA-N 1 2 235.287 0.402 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635684671 345977268 /nfs/dbraw/zinc/97/72/68/345977268.db2.gz XSIMKPVPENOUPS-RKDXNWHRSA-N 1 2 235.287 0.402 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cnoc1 ZINC000585689496 345979660 /nfs/dbraw/zinc/97/96/60/345979660.db2.gz FFQDVUORYDUITA-UHFFFAOYSA-N 1 2 206.205 0.900 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H](O)C1 ZINC000635692743 345981214 /nfs/dbraw/zinc/98/12/14/345981214.db2.gz SNEDCMPNKXEZLZ-PHIMTYICSA-N 1 2 245.282 0.721 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000635698021 345986573 /nfs/dbraw/zinc/98/65/73/345986573.db2.gz GPIYEMOCTVVOFL-BDAKNGLRSA-N 1 2 239.319 0.648 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)[C@@H](C)CO)[nH+]1 ZINC000635698022 345986758 /nfs/dbraw/zinc/98/67/58/345986758.db2.gz GPIYEMOCTVVOFL-DTWKUNHWSA-N 1 2 239.319 0.648 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1[nH+]ccn1CC ZINC000590407851 347089009 /nfs/dbraw/zinc/08/90/09/347089009.db2.gz OSNWWZGVENQJAC-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)[NH+](C)C ZINC000635702970 345990455 /nfs/dbraw/zinc/99/04/55/345990455.db2.gz ISYGOMQIOXNKOS-PSASIEDQSA-N 1 2 236.319 0.853 20 0 BCADLO O=C(NCCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635705815 345992138 /nfs/dbraw/zinc/99/21/38/345992138.db2.gz ZSIPVIUKBWUJTM-HTQZYQBOSA-N 1 2 211.240 0.989 20 0 BCADLO O=C(NCCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635705815 345992140 /nfs/dbraw/zinc/99/21/40/345992140.db2.gz ZSIPVIUKBWUJTM-HTQZYQBOSA-N 1 2 211.240 0.989 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2[nH+]1 ZINC000635708124 345994273 /nfs/dbraw/zinc/99/42/73/345994273.db2.gz AVALCYGGQYZZTP-PHIMTYICSA-N 1 2 245.282 0.896 20 0 BCADLO COCCc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000605575250 345966640 /nfs/dbraw/zinc/96/66/40/345966640.db2.gz IOHJNXIQCRBANY-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000605575250 345966643 /nfs/dbraw/zinc/96/66/43/345966643.db2.gz IOHJNXIQCRBANY-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710898 346004536 /nfs/dbraw/zinc/00/45/36/346004536.db2.gz OHOXETONUNHZGM-SVDPJWKOSA-N 1 2 249.314 0.933 20 0 BCADLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710898 346004538 /nfs/dbraw/zinc/00/45/38/346004538.db2.gz OHOXETONUNHZGM-SVDPJWKOSA-N 1 2 249.314 0.933 20 0 BCADLO O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710897 346004576 /nfs/dbraw/zinc/00/45/76/346004576.db2.gz OHOXETONUNHZGM-MWGHHZFTSA-N 1 2 249.314 0.933 20 0 BCADLO O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710897 346004577 /nfs/dbraw/zinc/00/45/77/346004577.db2.gz OHOXETONUNHZGM-MWGHHZFTSA-N 1 2 249.314 0.933 20 0 BCADLO CCc1c[nH]c(CC(=O)NC(C)(C)CCO)[nH+]1 ZINC000635744709 346055817 /nfs/dbraw/zinc/05/58/17/346055817.db2.gz PTXHODONSKUQPN-UHFFFAOYSA-N 1 2 239.319 0.792 20 0 BCADLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cocn1 ZINC000381488143 346037322 /nfs/dbraw/zinc/03/73/22/346037322.db2.gz KVSDIIYPVDDMMT-JTQLQIEISA-N 1 2 244.316 0.732 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1c[nH]ccc1=O ZINC000586751534 346048060 /nfs/dbraw/zinc/04/80/60/346048060.db2.gz ZSDQBWSCLHJCFW-UHFFFAOYSA-N 1 2 232.243 0.600 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CCCO)[nH+]1 ZINC000635896673 346105212 /nfs/dbraw/zinc/10/52/12/346105212.db2.gz IRYMEWNSRCEUHV-UHFFFAOYSA-N 1 2 225.292 0.355 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2coc(CO)c2)C1 ZINC000635822538 346078015 /nfs/dbraw/zinc/07/80/15/346078015.db2.gz RJMCOXRIVHDKFJ-UHFFFAOYSA-N 1 2 238.287 0.594 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635824298 346078632 /nfs/dbraw/zinc/07/86/32/346078632.db2.gz HHMMTAJAYLHZIK-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635824298 346078634 /nfs/dbraw/zinc/07/86/34/346078634.db2.gz HHMMTAJAYLHZIK-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCOC[C@H]2C)[nH+]1 ZINC000635860304 346087633 /nfs/dbraw/zinc/08/76/33/346087633.db2.gz AUYJOUPCOWIZBK-SECBINFHSA-N 1 2 237.303 0.762 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635791836 346063444 /nfs/dbraw/zinc/06/34/44/346063444.db2.gz YMZSVUUBJNTSTQ-ZYUZMQFOSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635791836 346063445 /nfs/dbraw/zinc/06/34/45/346063445.db2.gz YMZSVUUBJNTSTQ-ZYUZMQFOSA-N 1 2 237.303 0.789 20 0 BCADLO CC(C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916980 346064437 /nfs/dbraw/zinc/06/44/37/346064437.db2.gz BWGPRQFNPLWTQM-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC2=CCCOC2)[nH+]1 ZINC000635930916 346111530 /nfs/dbraw/zinc/11/15/30/346111530.db2.gz GAHXKXQOXYJAEF-UHFFFAOYSA-N 1 2 249.314 0.978 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)[C@H](C)O)[nH+]1 ZINC000635992924 346143278 /nfs/dbraw/zinc/14/32/78/346143278.db2.gz ZUBZBAVXAKQNPV-WPRPVWTQSA-N 1 2 239.319 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000635955787 346131687 /nfs/dbraw/zinc/13/16/87/346131687.db2.gz SZSWWUCIPQZELZ-VHSXEESVSA-N 1 2 235.287 0.514 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CC)[C@@H](C)O)[nH+]1 ZINC000635992920 346143749 /nfs/dbraw/zinc/14/37/49/346143749.db2.gz ZUBZBAVXAKQNPV-PSASIEDQSA-N 1 2 239.319 0.790 20 0 BCADLO Cc1cccn2cc(C[NH+]3C[C@H](O)[C@@H](O)C3)nc12 ZINC000235937519 346172354 /nfs/dbraw/zinc/17/23/54/346172354.db2.gz DIKBOCQMBZRCTA-RYUDHWBXSA-N 1 2 247.298 0.180 20 0 BCADLO CSCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051505 346178865 /nfs/dbraw/zinc/17/88/65/346178865.db2.gz OJWVDXAYCAQXNE-QMMMGPOBSA-N 1 2 225.317 0.677 20 0 BCADLO CC[C@@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000586829660 346154051 /nfs/dbraw/zinc/15/40/51/346154051.db2.gz UELANXLVIWTLQX-GFCCVEGCSA-N 1 2 236.315 0.959 20 0 BCADLO CC[C@@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000586829660 346154054 /nfs/dbraw/zinc/15/40/54/346154054.db2.gz UELANXLVIWTLQX-GFCCVEGCSA-N 1 2 236.315 0.959 20 0 BCADLO Cc1[nH]c(CN2CCN(C)C(=O)[C@H]2C)[nH+]c1C ZINC000628241690 346201188 /nfs/dbraw/zinc/20/11/88/346201188.db2.gz DSABQZXZEOUIRK-SNVBAGLBSA-N 1 2 236.319 0.689 20 0 BCADLO Cc1c[nH]c(CN2CC(F)(F)C[C@@H]2CO)[nH+]1 ZINC000628243826 346207324 /nfs/dbraw/zinc/20/73/24/346207324.db2.gz IQSOWLSSQLRWEW-MRVPVSSYSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000628247166 346215080 /nfs/dbraw/zinc/21/50/80/346215080.db2.gz QHGOVGNZWJZALC-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000628247166 346215084 /nfs/dbraw/zinc/21/50/84/346215084.db2.gz QHGOVGNZWJZALC-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000628248503 346216208 /nfs/dbraw/zinc/21/62/08/346216208.db2.gz OSJKGNNMAWLTIJ-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000628248503 346216210 /nfs/dbraw/zinc/21/62/10/346216210.db2.gz OSJKGNNMAWLTIJ-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO CCN(Cc1[nH]cc(C)[nH+]1)[C@H]1CCNC1=O ZINC000628261587 346261075 /nfs/dbraw/zinc/26/10/75/346261075.db2.gz BUNAPOQZQJYPHE-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO CCN(Cc1[nH]cc(C)[nH+]1)[C@@H]1CCNC1=O ZINC000628261586 346261008 /nfs/dbraw/zinc/26/10/08/346261008.db2.gz BUNAPOQZQJYPHE-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[C@H]1O ZINC000380219613 346254890 /nfs/dbraw/zinc/25/48/90/346254890.db2.gz LTSINIVAUBPUEK-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000628259778 346258668 /nfs/dbraw/zinc/25/86/68/346258668.db2.gz ILBSDWMSWSXCGP-NXEZZACHSA-N 1 2 234.303 0.429 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000628259778 346258669 /nfs/dbraw/zinc/25/86/69/346258669.db2.gz ILBSDWMSWSXCGP-NXEZZACHSA-N 1 2 234.303 0.429 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@H]3C(=O)NC[C@H]32)[nH+]1 ZINC000628259778 346258670 /nfs/dbraw/zinc/25/86/70/346258670.db2.gz ILBSDWMSWSXCGP-NXEZZACHSA-N 1 2 234.303 0.429 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nc(C)c(C)[nH]1 ZINC000628262693 346261519 /nfs/dbraw/zinc/26/15/19/346261519.db2.gz VBIPLNZSHCYUIG-UHFFFAOYSA-N 1 2 241.335 0.857 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nc(C)c(C)[nH]1 ZINC000628262693 346261520 /nfs/dbraw/zinc/26/15/20/346261520.db2.gz VBIPLNZSHCYUIG-UHFFFAOYSA-N 1 2 241.335 0.857 20 0 BCADLO CCN(CCOCCO)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628262693 346261523 /nfs/dbraw/zinc/26/15/23/346261523.db2.gz VBIPLNZSHCYUIG-UHFFFAOYSA-N 1 2 241.335 0.857 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(=O)n1C ZINC000631156267 346265100 /nfs/dbraw/zinc/26/51/00/346265100.db2.gz KYRZPPPWVSNDFN-UHFFFAOYSA-N 1 2 235.247 0.121 20 0 BCADLO Cc1[nH]c(CN2CC[C@@](F)(CO)C2)[nH+]c1C ZINC000628264945 346266205 /nfs/dbraw/zinc/26/62/05/346266205.db2.gz JOKCPYWOFJAVRE-NSHDSACASA-N 1 2 227.283 0.933 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000673856022 488310373 /nfs/dbraw/zinc/31/03/73/488310373.db2.gz IGVLFOPBRZZSHX-QMMMGPOBSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000673856022 488310378 /nfs/dbraw/zinc/31/03/78/488310378.db2.gz IGVLFOPBRZZSHX-QMMMGPOBSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636053083 346299964 /nfs/dbraw/zinc/29/99/64/346299964.db2.gz NYFVIQQELXMAMK-GWOFURMSSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636053083 346299968 /nfs/dbraw/zinc/29/99/68/346299968.db2.gz NYFVIQQELXMAMK-GWOFURMSSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@H](CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636126717 346327621 /nfs/dbraw/zinc/32/76/21/346327621.db2.gz HAMFELHRBZWWPF-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO C[C@H](CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636126717 346327624 /nfs/dbraw/zinc/32/76/24/346327624.db2.gz HAMFELHRBZWWPF-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC1(F)F ZINC000636102156 346319745 /nfs/dbraw/zinc/31/97/45/346319745.db2.gz MYDHTPIDRBADCB-VXNVDRBHSA-N 1 2 241.241 0.969 20 0 BCADLO CCc1nc(C[N@H+](C)CCCC(=O)NC)no1 ZINC000155342773 346346407 /nfs/dbraw/zinc/34/64/07/346346407.db2.gz VFWBKMJWINEPOL-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCc1nc(C[N@@H+](C)CCCC(=O)NC)no1 ZINC000155342773 346346411 /nfs/dbraw/zinc/34/64/11/346346411.db2.gz VFWBKMJWINEPOL-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)O ZINC000684453808 488315035 /nfs/dbraw/zinc/31/50/35/488315035.db2.gz QLXHVXDZWFMCKY-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cnccn1 ZINC000636151749 346336728 /nfs/dbraw/zinc/33/67/28/346336728.db2.gz UYBXYDAYGFHQQH-JTQLQIEISA-N 1 2 248.330 0.996 20 0 BCADLO Cc1nccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000172989706 346388689 /nfs/dbraw/zinc/38/86/89/346388689.db2.gz JPMSBRKOOXCRFE-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636330837 346398635 /nfs/dbraw/zinc/39/86/35/346398635.db2.gz SHWVAWROOQUEEI-REIXXSIJSA-N 1 2 235.287 0.543 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636330837 346398637 /nfs/dbraw/zinc/39/86/37/346398637.db2.gz SHWVAWROOQUEEI-REIXXSIJSA-N 1 2 235.287 0.543 20 0 BCADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000333053756 537976749 /nfs/dbraw/zinc/97/67/49/537976749.db2.gz COERVSRWQDIXSI-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO CCOC[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000333053756 537976757 /nfs/dbraw/zinc/97/67/57/537976757.db2.gz COERVSRWQDIXSI-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000170764571 346445854 /nfs/dbraw/zinc/44/58/54/346445854.db2.gz AFYZFZOHLARLNO-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000170764571 346445856 /nfs/dbraw/zinc/44/58/56/346445856.db2.gz AFYZFZOHLARLNO-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C[C@@H]1F ZINC000679222567 488319749 /nfs/dbraw/zinc/31/97/49/488319749.db2.gz OCQZRKFHKVLXTD-VGMNWLOBSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C[C@@H]1F ZINC000679222567 488319750 /nfs/dbraw/zinc/31/97/50/488319750.db2.gz OCQZRKFHKVLXTD-VGMNWLOBSA-N 1 2 200.257 0.555 20 0 BCADLO Cn1c[nH+]cc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000641799212 362746682 /nfs/dbraw/zinc/74/66/82/362746682.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 1 2 222.336 0.633 20 0 BCADLO CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170875173 346467955 /nfs/dbraw/zinc/46/79/55/346467955.db2.gz FXMWJNOXJLCGPZ-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170875173 346467958 /nfs/dbraw/zinc/46/79/58/346467958.db2.gz FXMWJNOXJLCGPZ-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000332909978 346486410 /nfs/dbraw/zinc/48/64/10/346486410.db2.gz WVBRWOYWTIZNPS-BXKDBHETSA-N 1 2 235.287 0.761 20 0 BCADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nnnn1C ZINC000419208950 192103447 /nfs/dbraw/zinc/10/34/47/192103447.db2.gz ATKOFNNCHUNIQU-SNVBAGLBSA-N 1 2 241.339 0.703 20 0 BCADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nnnn1C ZINC000419208950 192103448 /nfs/dbraw/zinc/10/34/48/192103448.db2.gz ATKOFNNCHUNIQU-SNVBAGLBSA-N 1 2 241.339 0.703 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000103230909 346518373 /nfs/dbraw/zinc/51/83/73/346518373.db2.gz ONCCJGQOQCGART-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000103230909 346518379 /nfs/dbraw/zinc/51/83/79/346518379.db2.gz ONCCJGQOQCGART-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](O)C2)on1 ZINC000565166175 323127555 /nfs/dbraw/zinc/12/75/55/323127555.db2.gz RVHVUWKLLPKEQI-MRVPVSSYSA-N 1 2 210.233 0.444 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](O)C2)on1 ZINC000565166175 323127556 /nfs/dbraw/zinc/12/75/56/323127556.db2.gz RVHVUWKLLPKEQI-MRVPVSSYSA-N 1 2 210.233 0.444 20 0 BCADLO O=C(NCc1ccco1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636444870 346565890 /nfs/dbraw/zinc/56/58/90/346565890.db2.gz SDDCJJMXKRMBPE-SECBINFHSA-N 1 2 246.270 0.900 20 0 BCADLO CCc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)nc1 ZINC000577121947 365825623 /nfs/dbraw/zinc/82/56/23/365825623.db2.gz KWDPQTIYBPKMDZ-ZDUSSCGKSA-N 1 2 249.314 0.378 20 0 BCADLO CCOC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097177 346533486 /nfs/dbraw/zinc/53/34/86/346533486.db2.gz XBKOBUPYOUELJI-UHFFFAOYSA-N 1 2 215.293 0.834 20 0 BCADLO CN(C)C(=O)CSCc1ccc[nH+]c1N ZINC000300804873 346538159 /nfs/dbraw/zinc/53/81/59/346538159.db2.gz GECQEJUPYMMRLN-UHFFFAOYSA-N 1 2 225.317 0.985 20 0 BCADLO CC(=O)CCC(=O)NCCC[NH+]1CCOCC1 ZINC000201883959 346577227 /nfs/dbraw/zinc/57/72/27/346577227.db2.gz ILWXJSIMNQERSK-UHFFFAOYSA-N 1 2 242.319 0.194 20 0 BCADLO O=C(C[C@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000627366372 346585165 /nfs/dbraw/zinc/58/51/65/346585165.db2.gz QFCPSHVROADIBE-SECBINFHSA-N 1 2 235.287 0.864 20 0 BCADLO O=C(C[C@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000627366372 346585166 /nfs/dbraw/zinc/58/51/66/346585166.db2.gz QFCPSHVROADIBE-SECBINFHSA-N 1 2 235.287 0.864 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)N=NC2C1 ZINC000577124163 365829314 /nfs/dbraw/zinc/82/93/14/365829314.db2.gz IMZVCHPSIJUWFY-UHFFFAOYSA-N 1 2 246.274 0.411 20 0 BCADLO CO[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000577149066 365838586 /nfs/dbraw/zinc/83/85/86/365838586.db2.gz PQJNZUWOOALSGG-NXEZZACHSA-N 1 2 235.287 0.550 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1CC1(F)CC1 ZINC000589209884 346674665 /nfs/dbraw/zinc/67/46/65/346674665.db2.gz TUYYIVXQRCTXLX-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1CC1(F)CC1 ZINC000589209884 346674668 /nfs/dbraw/zinc/67/46/68/346674668.db2.gz TUYYIVXQRCTXLX-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO CC(=O)CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000203580658 346639895 /nfs/dbraw/zinc/63/98/95/346639895.db2.gz ACVCKCIQSISSDA-UHFFFAOYSA-N 1 2 223.276 0.748 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)[C@@H]1CCCOC1 ZINC000401421493 346703552 /nfs/dbraw/zinc/70/35/52/346703552.db2.gz MORAHBBBOITWCU-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)[C@@H]1CCCOC1 ZINC000401421493 346703555 /nfs/dbraw/zinc/70/35/55/346703555.db2.gz MORAHBBBOITWCU-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COCc1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)no1 ZINC000580650210 365844810 /nfs/dbraw/zinc/84/48/10/365844810.db2.gz ICUONIDMIPAOQO-VHSXEESVSA-N 1 2 238.287 0.848 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1 ZINC000170235150 346778786 /nfs/dbraw/zinc/77/87/86/346778786.db2.gz LFHRYEWVRBJWEZ-UHFFFAOYSA-N 1 2 235.287 0.605 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000170232021 346778937 /nfs/dbraw/zinc/77/89/37/346778937.db2.gz YHYTZOLJLFCAAG-UHFFFAOYSA-N 1 2 235.287 0.605 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)CC[C@H]2C1 ZINC000580659731 365855933 /nfs/dbraw/zinc/85/59/33/365855933.db2.gz SZSXZIVVKQPTCU-NSHDSACASA-N 1 2 246.314 0.904 20 0 BCADLO CC(F)(F)CNC(=O)Cn1cc[nH+]c1 ZINC000580669021 365866526 /nfs/dbraw/zinc/86/65/26/365866526.db2.gz MOEWBQLNVLHIQZ-UHFFFAOYSA-N 1 2 203.192 0.655 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)O)ccn12 ZINC000577188822 365868394 /nfs/dbraw/zinc/86/83/94/365868394.db2.gz LPGQSZDGHSYWTO-VIFPVBQESA-N 1 2 233.271 0.753 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000345350818 365860362 /nfs/dbraw/zinc/86/03/62/365860362.db2.gz OPEAARBGVMQFPA-SECBINFHSA-N 1 2 222.292 0.396 20 0 BCADLO CC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119715 347120419 /nfs/dbraw/zinc/12/04/19/347120419.db2.gz RKAUESGVSCWRQX-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119715 347120421 /nfs/dbraw/zinc/12/04/21/347120421.db2.gz RKAUESGVSCWRQX-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H](C)[C@H](O)C1 ZINC000388056946 347168734 /nfs/dbraw/zinc/16/87/34/347168734.db2.gz PLKKZKTYWLELAN-DTWKUNHWSA-N 1 2 208.261 0.907 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388032781 347159889 /nfs/dbraw/zinc/15/98/89/347159889.db2.gz LFIBSEAKNRWKQC-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388032781 347159892 /nfs/dbraw/zinc/15/98/92/347159892.db2.gz LFIBSEAKNRWKQC-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO C[C@H]1CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000641829027 362777507 /nfs/dbraw/zinc/77/75/07/362777507.db2.gz AQGQKUJVGHCTOH-VIFPVBQESA-N 1 2 222.292 0.766 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185123840 347191619 /nfs/dbraw/zinc/19/16/19/347191619.db2.gz IGOKTVGYBIJBLB-VFZGTOFNSA-N 1 2 234.365 0.210 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185123840 347191623 /nfs/dbraw/zinc/19/16/23/347191623.db2.gz IGOKTVGYBIJBLB-VFZGTOFNSA-N 1 2 234.365 0.210 20 0 BCADLO COCCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185253270 347195076 /nfs/dbraw/zinc/19/50/76/347195076.db2.gz DGMLZFKVCUEEIJ-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO COCCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185253270 347195078 /nfs/dbraw/zinc/19/50/78/347195078.db2.gz DGMLZFKVCUEEIJ-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO COC[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000641830942 362779083 /nfs/dbraw/zinc/77/90/83/362779083.db2.gz CDFXNWRQDMXYHB-DTWKUNHWSA-N 1 2 240.307 0.815 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1CCC1 ZINC000395607119 362787220 /nfs/dbraw/zinc/78/72/20/362787220.db2.gz WOJSGYNCMDTZQA-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000563051967 347209179 /nfs/dbraw/zinc/20/91/79/347209179.db2.gz GRFVHJYZOSCYMU-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000563051967 347209182 /nfs/dbraw/zinc/20/91/82/347209182.db2.gz GRFVHJYZOSCYMU-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO COCCOCCCNC(=O)Cn1cc[nH+]c1 ZINC000582080738 347188603 /nfs/dbraw/zinc/18/86/03/347188603.db2.gz XFFNQOIECBDRTL-UHFFFAOYSA-N 1 2 241.291 0.052 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000380678839 347229947 /nfs/dbraw/zinc/22/99/47/347229947.db2.gz FOBHSDLZPXGFBC-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000628313580 347242666 /nfs/dbraw/zinc/24/26/66/347242666.db2.gz SZHIMGKAQNOYBV-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000628313580 347242668 /nfs/dbraw/zinc/24/26/68/347242668.db2.gz SZHIMGKAQNOYBV-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@@](C)(O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000419212352 192105160 /nfs/dbraw/zinc/10/51/60/192105160.db2.gz ZTOZTXXOVLHPFU-JQWIXIFHSA-N 1 2 245.319 0.315 20 0 BCADLO O=C(NCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636519881 347273763 /nfs/dbraw/zinc/27/37/63/347273763.db2.gz ATBYQIVMYILPLV-SECBINFHSA-N 1 2 220.276 0.517 20 0 BCADLO CO[C@@H](CC(C)C)C[N@@H+]1CCNC(=O)C1 ZINC000419211082 192105452 /nfs/dbraw/zinc/10/54/52/192105452.db2.gz YVASBKPUABPGIK-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CO[C@@H](CC(C)C)C[N@H+]1CCNC(=O)C1 ZINC000419211082 192105454 /nfs/dbraw/zinc/10/54/54/192105454.db2.gz YVASBKPUABPGIK-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000170224976 136748593 /nfs/dbraw/zinc/74/85/93/136748593.db2.gz QHNILFMFZSOGET-UHFFFAOYSA-N 1 2 235.287 0.605 20 0 BCADLO CS[C@H]1CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000582118532 347384378 /nfs/dbraw/zinc/38/43/78/347384378.db2.gz QUMGAMPEUZUWEJ-BQBZGAKWSA-N 1 2 213.310 0.194 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000193330309 347395834 /nfs/dbraw/zinc/39/58/34/347395834.db2.gz SLADOPMXCQYOCV-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCO[C@H](C)C1 ZINC000193330309 347395837 /nfs/dbraw/zinc/39/58/37/347395837.db2.gz SLADOPMXCQYOCV-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO Cc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616922152 347452740 /nfs/dbraw/zinc/45/27/40/347452740.db2.gz QYJSBLSDTBNPRC-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616922152 347452742 /nfs/dbraw/zinc/45/27/42/347452742.db2.gz QYJSBLSDTBNPRC-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1nccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616923778 347454804 /nfs/dbraw/zinc/45/48/04/347454804.db2.gz UJORFIVJZHVMHZ-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1nccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616923778 347454807 /nfs/dbraw/zinc/45/48/07/347454807.db2.gz UJORFIVJZHVMHZ-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923594 347455127 /nfs/dbraw/zinc/45/51/27/347455127.db2.gz NGCZRZXFDOVODB-VHSXEESVSA-N 1 2 223.276 0.793 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923594 347455128 /nfs/dbraw/zinc/45/51/28/347455128.db2.gz NGCZRZXFDOVODB-VHSXEESVSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COCC(F)F ZINC000624156009 347421226 /nfs/dbraw/zinc/42/12/26/347421226.db2.gz MMNRFBWXVSYRIG-QMMMGPOBSA-N 1 2 247.245 0.670 20 0 BCADLO CC[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194430877 347421282 /nfs/dbraw/zinc/42/12/82/347421282.db2.gz BRCGHEIZCWLXPT-SECBINFHSA-N 1 2 209.297 0.975 20 0 BCADLO CC[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194430877 347421286 /nfs/dbraw/zinc/42/12/86/347421286.db2.gz BRCGHEIZCWLXPT-SECBINFHSA-N 1 2 209.297 0.975 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000616927706 347456246 /nfs/dbraw/zinc/45/62/46/347456246.db2.gz OXWJWAJUHHXDPZ-BDAKNGLRSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000616927706 347456248 /nfs/dbraw/zinc/45/62/48/347456248.db2.gz OXWJWAJUHHXDPZ-BDAKNGLRSA-N 1 2 223.276 0.793 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)O)cn21 ZINC000270756687 179229282 /nfs/dbraw/zinc/22/92/82/179229282.db2.gz DMYZVGDAJJRWHO-VIFPVBQESA-N 1 2 233.271 0.640 20 0 BCADLO COC(=O)C1(C[N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000590723221 347493940 /nfs/dbraw/zinc/49/39/40/347493940.db2.gz XSBPAQLVAQZKJR-QMMMGPOBSA-N 1 2 249.257 0.642 20 0 BCADLO COC(=O)C1(C[N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000590723221 347493941 /nfs/dbraw/zinc/49/39/41/347493941.db2.gz XSBPAQLVAQZKJR-QMMMGPOBSA-N 1 2 249.257 0.642 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC(F)F ZINC000616928523 347494989 /nfs/dbraw/zinc/49/49/89/347494989.db2.gz CYDDJXFIGDFDHO-UHFFFAOYSA-N 1 2 219.191 0.607 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC(F)F ZINC000616928523 347494992 /nfs/dbraw/zinc/49/49/92/347494992.db2.gz CYDDJXFIGDFDHO-UHFFFAOYSA-N 1 2 219.191 0.607 20 0 BCADLO CCc1nn(C)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926681 347458334 /nfs/dbraw/zinc/45/83/34/347458334.db2.gz LPOIBFKVMBPULC-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CCc1nn(C)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926681 347458337 /nfs/dbraw/zinc/45/83/37/347458337.db2.gz LPOIBFKVMBPULC-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO Cc1nn(C)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925926 347458744 /nfs/dbraw/zinc/45/87/44/347458744.db2.gz VYHQOSGOVZOOPW-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1nn(C)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925926 347458747 /nfs/dbraw/zinc/45/87/47/347458747.db2.gz VYHQOSGOVZOOPW-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(O)CCSC1 ZINC000616926792 347459929 /nfs/dbraw/zinc/45/99/29/347459929.db2.gz QDTSNDGTIGVJNV-SNVBAGLBSA-N 1 2 241.316 0.236 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(O)CCSC1 ZINC000616926792 347459930 /nfs/dbraw/zinc/45/99/30/347459930.db2.gz QDTSNDGTIGVJNV-SNVBAGLBSA-N 1 2 241.316 0.236 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000590599083 347479473 /nfs/dbraw/zinc/47/94/73/347479473.db2.gz HFQUGYBIFADCNZ-JTQLQIEISA-N 1 2 227.333 0.423 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000590599083 347479477 /nfs/dbraw/zinc/47/94/77/347479477.db2.gz HFQUGYBIFADCNZ-JTQLQIEISA-N 1 2 227.333 0.423 20 0 BCADLO CSC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000590599083 347479478 /nfs/dbraw/zinc/47/94/78/347479478.db2.gz HFQUGYBIFADCNZ-JTQLQIEISA-N 1 2 227.333 0.423 20 0 BCADLO CS[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000292511619 347511483 /nfs/dbraw/zinc/51/14/83/347511483.db2.gz OOPIGLLWAHZTPQ-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000616980166 347555437 /nfs/dbraw/zinc/55/54/37/347555437.db2.gz AZJRDCFZLOFXCO-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616980166 347555441 /nfs/dbraw/zinc/55/54/41/347555441.db2.gz AZJRDCFZLOFXCO-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO COC(=O)[C@H]([NH2+]CCCCO)C(C)(C)C ZINC000591019325 347605535 /nfs/dbraw/zinc/60/55/35/347605535.db2.gz VQSXVYUXOMYCAO-VIFPVBQESA-N 1 2 217.309 0.936 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590952602 347593970 /nfs/dbraw/zinc/59/39/70/347593970.db2.gz IUGIEXQFLXGBRB-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590952602 347593972 /nfs/dbraw/zinc/59/39/72/347593972.db2.gz IUGIEXQFLXGBRB-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000617046162 347629099 /nfs/dbraw/zinc/62/90/99/347629099.db2.gz FBSLUIRUKDPVFW-VIFPVBQESA-N 1 2 223.276 0.567 20 0 BCADLO C[C@H]([C@H](C)NC(=O)[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000591339878 347645745 /nfs/dbraw/zinc/64/57/45/347645745.db2.gz QHHWONYPMZPZNT-KXNHARMFSA-N 1 2 240.347 0.868 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000636644414 347646762 /nfs/dbraw/zinc/64/67/62/347646762.db2.gz UFUQRXFCJHECAH-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000636644414 347646763 /nfs/dbraw/zinc/64/67/63/347646763.db2.gz UFUQRXFCJHECAH-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CC[C@H](C)O ZINC000591019840 347610495 /nfs/dbraw/zinc/61/04/95/347610495.db2.gz HSGMHKQXZTXHSZ-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC[C@H](C)O ZINC000591019840 347610497 /nfs/dbraw/zinc/61/04/97/347610497.db2.gz HSGMHKQXZTXHSZ-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO CC1(C)C[C@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000617054394 347670815 /nfs/dbraw/zinc/67/08/15/347670815.db2.gz DOPIBXSGSPWWPO-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOCC1CCC1 ZINC000419183107 192108283 /nfs/dbraw/zinc/10/82/83/192108283.db2.gz DHUIUGQYXLARFF-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOCC1CCC1 ZINC000419183107 192108284 /nfs/dbraw/zinc/10/82/84/192108284.db2.gz DHUIUGQYXLARFF-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1c[nH+]c[nH]1 ZINC000593102449 347859003 /nfs/dbraw/zinc/85/90/03/347859003.db2.gz XBCIBSVOFMWXJR-UINNMSKDSA-N 1 2 211.290 0.115 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1CN2Cc1c[nH+]c[nH]1 ZINC000593102450 347859029 /nfs/dbraw/zinc/85/90/29/347859029.db2.gz XBCIBSVOFMWXJR-FZNYLWTLSA-N 1 2 211.290 0.115 20 0 BCADLO CCC(CC)([NH2+]C[C@@H]1CCC(=O)N1)C(=O)OC ZINC000593025533 347846850 /nfs/dbraw/zinc/84/68/50/347846850.db2.gz XLEZDBPHPIKEGR-VIFPVBQESA-N 1 2 242.319 0.586 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nn1C ZINC000593098366 347855276 /nfs/dbraw/zinc/85/52/76/347855276.db2.gz WJQDVSURFATZRO-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nn1C ZINC000593098366 347855277 /nfs/dbraw/zinc/85/52/77/347855277.db2.gz WJQDVSURFATZRO-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO CCCC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000593183420 347869180 /nfs/dbraw/zinc/86/91/80/347869180.db2.gz WKQCRMRKCXLFKL-AEJSXWLSSA-N 1 2 242.319 0.572 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(O)CCCCC1 ZINC000531259402 347884839 /nfs/dbraw/zinc/88/48/39/347884839.db2.gz QQAMKNSJBKPICG-UHFFFAOYSA-N 1 2 249.314 0.962 20 0 BCADLO Cc1cc(N2C[C@@H]3C[C@H]2C[S@]3=O)nc[nH+]1 ZINC000593509290 347901773 /nfs/dbraw/zinc/90/17/73/347901773.db2.gz CRLRLVQOBOGPKR-KOSWAMCASA-N 1 2 223.301 0.495 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688888 347927660 /nfs/dbraw/zinc/92/76/60/347927660.db2.gz QYUGKTGVXNOPOX-MMPTUQATSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688888 347927662 /nfs/dbraw/zinc/92/76/62/347927662.db2.gz QYUGKTGVXNOPOX-MMPTUQATSA-N 1 2 239.344 0.608 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1ncccn1 ZINC000054462338 347999549 /nfs/dbraw/zinc/99/95/49/347999549.db2.gz MMFHCDHKKDRGKG-UHFFFAOYSA-N 1 2 223.276 0.862 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1ncccn1 ZINC000054462338 347999552 /nfs/dbraw/zinc/99/95/52/347999552.db2.gz MMFHCDHKKDRGKG-UHFFFAOYSA-N 1 2 223.276 0.862 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NCc1cocn1 ZINC000594273098 348024936 /nfs/dbraw/zinc/02/49/36/348024936.db2.gz YBNTXDWRKXMNMT-UHFFFAOYSA-N 1 2 249.274 0.761 20 0 BCADLO COC1(C(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000334464104 490123096 /nfs/dbraw/zinc/12/30/96/490123096.db2.gz SETYEHSUACBZBB-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594711118 348104332 /nfs/dbraw/zinc/10/43/32/348104332.db2.gz NJZAVTUNGKDJBH-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC)C1CCOCC1 ZINC000594713015 348104819 /nfs/dbraw/zinc/10/48/19/348104819.db2.gz XVEHSJAMZQNUCC-GXSJLCMTSA-N 1 2 245.319 0.579 20 0 BCADLO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)C(=O)OC ZINC000594721165 348107441 /nfs/dbraw/zinc/10/74/41/348107441.db2.gz MHDKUGKDQCGHJX-SFYZADRCSA-N 1 2 237.246 0.952 20 0 BCADLO Cc1cccn2cc(CNS(C)(=O)=O)[nH+]c12 ZINC000107428152 179357370 /nfs/dbraw/zinc/35/73/70/179357370.db2.gz UWMMTRUGUBLIJV-UHFFFAOYSA-N 1 2 239.300 0.692 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563726374 323175948 /nfs/dbraw/zinc/17/59/48/323175948.db2.gz OTXYWPYNIVJNKG-JTQLQIEISA-N 1 2 242.363 0.851 20 0 BCADLO Cc1cccn2cc(C[S@](=O)CCO)[nH+]c12 ZINC000136425605 179357693 /nfs/dbraw/zinc/35/76/93/179357693.db2.gz VZYXETSLFQVMMH-INIZCTEOSA-N 1 2 238.312 0.884 20 0 BCADLO CCOC(=O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000594656138 348092681 /nfs/dbraw/zinc/09/26/81/348092681.db2.gz FKHQNSAQHHOZRO-UHFFFAOYSA-N 1 2 248.242 0.331 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616207542 348154012 /nfs/dbraw/zinc/15/40/12/348154012.db2.gz DYQOCWUHLHSCEK-PSASIEDQSA-N 1 2 207.277 0.735 20 0 BCADLO Cc1cccnc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000267360249 179364535 /nfs/dbraw/zinc/36/45/35/179364535.db2.gz NSGOJXQHXRTUOQ-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccnc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000267360249 179364536 /nfs/dbraw/zinc/36/45/36/179364536.db2.gz NSGOJXQHXRTUOQ-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](OC)[C@H]1CCOC1 ZINC000595290787 348213178 /nfs/dbraw/zinc/21/31/78/348213178.db2.gz ZDZGHZZNBDCHGR-UWVGGRQHSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](OC)[C@H]1CCOC1 ZINC000595290787 348213180 /nfs/dbraw/zinc/21/31/80/348213180.db2.gz ZDZGHZZNBDCHGR-UWVGGRQHSA-N 1 2 231.292 0.143 20 0 BCADLO COCC[N@H+](C)[C@H](CCC(=O)OC)C(=O)OC ZINC000595293208 348215517 /nfs/dbraw/zinc/21/55/17/348215517.db2.gz HNCCFUXFVHBMMY-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO COCC[N@@H+](C)[C@H](CCC(=O)OC)C(=O)OC ZINC000595293208 348215518 /nfs/dbraw/zinc/21/55/18/348215518.db2.gz HNCCFUXFVHBMMY-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](OC)[C@H]1CCOC1 ZINC000595299438 348217937 /nfs/dbraw/zinc/21/79/37/348217937.db2.gz ZJEXSSFWBBMJDE-QWRGUYRKSA-N 1 2 245.319 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)[C@H]1CCOC1 ZINC000595299438 348217941 /nfs/dbraw/zinc/21/79/41/348217941.db2.gz ZJEXSSFWBBMJDE-QWRGUYRKSA-N 1 2 245.319 0.533 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cn(C)c[nH+]1 ZINC000595323582 348226568 /nfs/dbraw/zinc/22/65/68/348226568.db2.gz ZKSJANPVKYOFHK-XIZWVBILSA-N 1 2 241.360 0.761 20 0 BCADLO COC(=O)[C@@]1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCOC1 ZINC000595409439 348240732 /nfs/dbraw/zinc/24/07/32/348240732.db2.gz XJXIXANWXXTLEK-LSCVPOLPSA-N 1 2 239.315 0.954 20 0 BCADLO COC[C@H](C[N@H+](C)[C@@H](C)C(=O)OC)OC ZINC000595475238 348251153 /nfs/dbraw/zinc/25/11/53/348251153.db2.gz NNYGICXZYFPLDC-IUCAKERBSA-N 1 2 219.281 0.141 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@@H](C)C(=O)OC)OC ZINC000595475238 348251156 /nfs/dbraw/zinc/25/11/56/348251156.db2.gz NNYGICXZYFPLDC-IUCAKERBSA-N 1 2 219.281 0.141 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000093188156 179377041 /nfs/dbraw/zinc/37/70/41/179377041.db2.gz GHQVWXOOWPEWPL-LLVKDONJSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000093188156 179377042 /nfs/dbraw/zinc/37/70/42/179377042.db2.gz GHQVWXOOWPEWPL-LLVKDONJSA-N 1 2 246.314 0.599 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cn[nH]n1 ZINC000595374878 348232614 /nfs/dbraw/zinc/23/26/14/348232614.db2.gz FMIOTIRIWVANPK-QMMMGPOBSA-N 1 2 226.280 0.231 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cn[nH]n1 ZINC000595374878 348232619 /nfs/dbraw/zinc/23/26/19/348232619.db2.gz FMIOTIRIWVANPK-QMMMGPOBSA-N 1 2 226.280 0.231 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCc1cn[nH]n1 ZINC000595344973 348235231 /nfs/dbraw/zinc/23/52/31/348235231.db2.gz BDNQABPGXAXHLI-SECBINFHSA-N 1 2 240.307 0.619 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCc1cn[nH]n1 ZINC000595344973 348235233 /nfs/dbraw/zinc/23/52/33/348235233.db2.gz BDNQABPGXAXHLI-SECBINFHSA-N 1 2 240.307 0.619 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000595531125 348273044 /nfs/dbraw/zinc/27/30/44/348273044.db2.gz CNTIVCLGYQOXMA-NHCYSSNCSA-N 1 2 245.319 0.315 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595591397 348277765 /nfs/dbraw/zinc/27/77/65/348277765.db2.gz GOPDSEHHGSDSQJ-SECBINFHSA-N 1 2 215.322 0.565 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595591397 348277766 /nfs/dbraw/zinc/27/77/66/348277766.db2.gz GOPDSEHHGSDSQJ-SECBINFHSA-N 1 2 215.322 0.565 20 0 BCADLO COC[C@H]([NH2+]CC(=O)OC)C1CCOCC1 ZINC000595615533 348289095 /nfs/dbraw/zinc/28/90/95/348289095.db2.gz ISFOZIQLZXZUSQ-JTQLQIEISA-N 1 2 231.292 0.191 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595615892 348289148 /nfs/dbraw/zinc/28/91/48/348289148.db2.gz JTWBAUFDXQMAEA-SECBINFHSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCn1ccnc1 ZINC000595683985 348312255 /nfs/dbraw/zinc/31/22/55/348312255.db2.gz WOLMYMRHSPHSKM-UHFFFAOYSA-N 1 2 235.287 0.521 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCn1ccnc1 ZINC000595683985 348312256 /nfs/dbraw/zinc/31/22/56/348312256.db2.gz WOLMYMRHSPHSKM-UHFFFAOYSA-N 1 2 235.287 0.521 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCO)C1CCCCC1 ZINC000308946115 323182206 /nfs/dbraw/zinc/18/22/06/323182206.db2.gz NUAPBHZJMYCZAC-JTQLQIEISA-N 1 2 215.293 0.690 20 0 BCADLO CC[C@@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770392 348335669 /nfs/dbraw/zinc/33/56/69/348335669.db2.gz RZEMXKBRKFIGKW-PSASIEDQSA-N 1 2 221.272 0.638 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770393 348335693 /nfs/dbraw/zinc/33/56/93/348335693.db2.gz RZEMXKBRKFIGKW-SCZZXKLOSA-N 1 2 221.272 0.638 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCNC(C)=O ZINC000595769679 348335775 /nfs/dbraw/zinc/33/57/75/348335775.db2.gz OIQMOBJEASFSRC-LLVKDONJSA-N 1 2 248.298 0.394 20 0 BCADLO CC[C@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770394 348335887 /nfs/dbraw/zinc/33/58/87/348335887.db2.gz RZEMXKBRKFIGKW-WCBMZHEXSA-N 1 2 221.272 0.638 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCCNC(C)=O ZINC000595769680 348336016 /nfs/dbraw/zinc/33/60/16/348336016.db2.gz OIQMOBJEASFSRC-NSHDSACASA-N 1 2 248.298 0.394 20 0 BCADLO CNC(=O)CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595769360 348336051 /nfs/dbraw/zinc/33/60/51/348336051.db2.gz KZDSOCFTABLWIQ-SNVBAGLBSA-N 1 2 234.271 0.003 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1COCCO1 ZINC000595771377 348336618 /nfs/dbraw/zinc/33/66/18/348336618.db2.gz AXFQQBIPLGTWQW-ONGXEEELSA-N 1 2 249.282 0.283 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CCCO1 ZINC000082681557 348340331 /nfs/dbraw/zinc/34/03/31/348340331.db2.gz RVTJPQFPRSSOMK-SECBINFHSA-N 1 2 223.276 0.937 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CCCOCC2)n1 ZINC000408183720 490164142 /nfs/dbraw/zinc/16/41/42/490164142.db2.gz SYLJJQCGJRWLCV-SECBINFHSA-N 1 2 241.291 0.999 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CCCOCC2)n1 ZINC000408183720 490164150 /nfs/dbraw/zinc/16/41/50/490164150.db2.gz SYLJJQCGJRWLCV-SECBINFHSA-N 1 2 241.291 0.999 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000309098970 349985892 /nfs/dbraw/zinc/98/58/92/349985892.db2.gz DXPWKKWDBQCOMM-APPZFPTMSA-N 1 2 208.265 0.024 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595902377 348394238 /nfs/dbraw/zinc/39/42/38/348394238.db2.gz YCOMUZMFILQDTE-KXUCPTDWSA-N 1 2 243.303 0.869 20 0 BCADLO CC[C@H](C(=O)Nc1cc[nH+]cc1O)[C@@H](C)O ZINC000419862877 192147490 /nfs/dbraw/zinc/14/74/90/192147490.db2.gz BYGPEACPAZUSMV-SFYZADRCSA-N 1 2 224.260 0.555 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000401893939 348609314 /nfs/dbraw/zinc/60/93/14/348609314.db2.gz IPAVMIWWKSYYQK-ZJUUUORDSA-N 1 2 223.276 0.112 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)CO1 ZINC000597115100 348662577 /nfs/dbraw/zinc/66/25/77/348662577.db2.gz LWBWDOISQWXDHT-XHNCKOQMSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)CO1 ZINC000597117272 348663154 /nfs/dbraw/zinc/66/31/54/348663154.db2.gz LWBWDOISQWXDHT-HLTSFMKQSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000597242880 348686807 /nfs/dbraw/zinc/68/68/07/348686807.db2.gz IHUDFUIAQXHVJD-CZMCAQCFSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1nc(N2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000054937113 348846665 /nfs/dbraw/zinc/84/66/65/348846665.db2.gz IAGVGTCZFDVPBG-SNVBAGLBSA-N 1 2 207.277 0.994 20 0 BCADLO CCOC(=O)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597860622 348829403 /nfs/dbraw/zinc/82/94/03/348829403.db2.gz AXIPNJMZFDRMOI-UHFFFAOYSA-N 1 2 225.248 0.321 20 0 BCADLO CCOC(=O)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597860622 348829406 /nfs/dbraw/zinc/82/94/06/348829406.db2.gz AXIPNJMZFDRMOI-UHFFFAOYSA-N 1 2 225.248 0.321 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC12CC2 ZINC000421747147 192378912 /nfs/dbraw/zinc/37/89/12/192378912.db2.gz BFGHMWPGZZWCKC-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO C[NH2+]CCNC(=O)c1cc(F)c(F)c(O)c1F ZINC000054244127 348961246 /nfs/dbraw/zinc/96/12/46/348961246.db2.gz ODWMFSBPIXNDIT-UHFFFAOYSA-N 1 2 248.204 0.759 20 0 BCADLO O=C(CSC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598949245 349070993 /nfs/dbraw/zinc/07/09/93/349070993.db2.gz XBBOXRMNZGPDAA-MRVPVSSYSA-N 1 2 237.328 0.820 20 0 BCADLO Cc1cc(N2CCNC(=O)C[C@@H]2C)nc[nH+]1 ZINC000599114566 349099867 /nfs/dbraw/zinc/09/98/67/349099867.db2.gz MZMXMPZYUUCJBG-VIFPVBQESA-N 1 2 220.276 0.500 20 0 BCADLO CSCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940879 349061876 /nfs/dbraw/zinc/06/18/76/349061876.db2.gz BJSGLLMOJQTNFR-SSDOTTSWSA-N 1 2 211.290 0.287 20 0 BCADLO CSC[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943807 349062656 /nfs/dbraw/zinc/06/26/56/349062656.db2.gz HXJXPRUIWNNBGF-DTWKUNHWSA-N 1 2 239.344 0.923 20 0 BCADLO COC(=O)CCCC[NH+]1CCS(=O)CC1 ZINC000599291756 349148239 /nfs/dbraw/zinc/14/82/39/349148239.db2.gz QJYHZHAINVFERX-UHFFFAOYSA-N 1 2 233.333 0.394 20 0 BCADLO CCO[C@@H](C[N@H+](C)CC(=O)OC)C1CC1 ZINC000599260338 349133440 /nfs/dbraw/zinc/13/34/40/349133440.db2.gz ZFQCBHHJODXXGO-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CCO[C@@H](C[N@@H+](C)CC(=O)OC)C1CC1 ZINC000599260338 349133444 /nfs/dbraw/zinc/13/34/44/349133444.db2.gz ZFQCBHHJODXXGO-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2C[C@@H]2C)CCOC1 ZINC000599340881 349152179 /nfs/dbraw/zinc/15/21/79/349152179.db2.gz AOHQXBPABGXZJF-QXEWZRGKSA-N 1 2 213.277 0.564 20 0 BCADLO Cc1csc(C(C)(C)[NH2+]CC(N)=O)n1 ZINC000118849267 179766862 /nfs/dbraw/zinc/76/68/62/179766862.db2.gz KZNVFZWNWPMNPJ-UHFFFAOYSA-N 1 2 213.306 0.762 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000599458929 349190149 /nfs/dbraw/zinc/19/01/49/349190149.db2.gz CCMOQUQJUDRGDY-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000599458929 349190153 /nfs/dbraw/zinc/19/01/53/349190153.db2.gz CCMOQUQJUDRGDY-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1c[nH]cn1 ZINC000599458929 349190159 /nfs/dbraw/zinc/19/01/59/349190159.db2.gz CCMOQUQJUDRGDY-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000599458929 349190162 /nfs/dbraw/zinc/19/01/62/349190162.db2.gz CCMOQUQJUDRGDY-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599389897 349168576 /nfs/dbraw/zinc/16/85/76/349168576.db2.gz ARYHTNRXYMRYTQ-ZJUUUORDSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599389897 349168579 /nfs/dbraw/zinc/16/85/79/349168579.db2.gz ARYHTNRXYMRYTQ-ZJUUUORDSA-N 1 2 245.319 0.146 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H](O)[C@H](C)C1 ZINC000253193603 349228111 /nfs/dbraw/zinc/22/81/11/349228111.db2.gz ONNUSAXGOPJAEO-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H](O)[C@H](C)C1 ZINC000253193603 349228112 /nfs/dbraw/zinc/22/81/12/349228112.db2.gz ONNUSAXGOPJAEO-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO COC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599647866 349233753 /nfs/dbraw/zinc/23/37/53/349233753.db2.gz CSQFESWKCGFFHZ-VIFPVBQESA-N 1 2 247.335 0.704 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600104960 349291894 /nfs/dbraw/zinc/29/18/94/349291894.db2.gz DGVILKJNETVBSI-SECBINFHSA-N 1 2 223.276 0.856 20 0 BCADLO CC[C@@H]([NH2+][C@@H](COC)c1ccco1)C(N)=O ZINC000184530018 349259012 /nfs/dbraw/zinc/25/90/12/349259012.db2.gz KYWCGYHSWWXDGZ-BDAKNGLRSA-N 1 2 226.276 0.821 20 0 BCADLO Cc1[nH]c(CN2CCO[C@@H]([C@@H](C)O)C2)[nH+]c1C ZINC000628313666 349260355 /nfs/dbraw/zinc/26/03/55/349260355.db2.gz XIYAARFBRSAENX-GHMZBOCLSA-N 1 2 239.319 0.608 20 0 BCADLO CC(C)(O)CCNC(=O)Cn1cc[nH+]c1 ZINC000309006802 349285109 /nfs/dbraw/zinc/28/51/09/349285109.db2.gz NNBLLFLQPOTVQJ-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO C[C@H]1C[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CO1 ZINC000655812491 490259270 /nfs/dbraw/zinc/25/92/70/490259270.db2.gz PVPACFWONGKABV-IUCAKERBSA-N 1 2 239.323 0.695 20 0 BCADLO CCC[C@@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000386172210 362945570 /nfs/dbraw/zinc/94/55/70/362945570.db2.gz WRJLKRLWDSLTCE-BDAKNGLRSA-N 1 2 203.282 0.953 20 0 BCADLO CCC[N@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000309028415 349312759 /nfs/dbraw/zinc/31/27/59/349312759.db2.gz ZQSLPTOALKLZFM-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCC[N@@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000309028415 349312761 /nfs/dbraw/zinc/31/27/61/349312761.db2.gz ZQSLPTOALKLZFM-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(C(F)(F)F)C1 ZINC000669324340 490262764 /nfs/dbraw/zinc/26/27/64/490262764.db2.gz FKNDPTCNRPAHTE-UHFFFAOYSA-N 1 2 233.193 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@H](O)C(C)(C)C1 ZINC000387991869 490262151 /nfs/dbraw/zinc/26/21/51/490262151.db2.gz VQPCSFMVFQWEIW-ZETCQYMHSA-N 1 2 238.291 0.275 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000342411257 538046514 /nfs/dbraw/zinc/04/65/14/538046514.db2.gz HXRYWRBEVBUICN-IJLUTSLNSA-N 1 2 240.347 0.822 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000342411257 538046517 /nfs/dbraw/zinc/04/65/17/538046517.db2.gz HXRYWRBEVBUICN-IJLUTSLNSA-N 1 2 240.347 0.822 20 0 BCADLO CCc1nc(C[NH2+]C(C)(C)CC(N)=O)no1 ZINC000186240913 349412339 /nfs/dbraw/zinc/41/23/39/349412339.db2.gz LISNETWVURJUNJ-UHFFFAOYSA-N 1 2 226.280 0.376 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977625 349413846 /nfs/dbraw/zinc/41/38/46/349413846.db2.gz VTUXOBBTUVZHQW-JGVFFNPUSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977625 349413849 /nfs/dbraw/zinc/41/38/49/349413849.db2.gz VTUXOBBTUVZHQW-JGVFFNPUSA-N 1 2 237.246 0.904 20 0 BCADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)[nH]n1 ZINC000603813634 350037594 /nfs/dbraw/zinc/03/75/94/350037594.db2.gz SVXPJPKMFRIVJH-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)n[nH]1 ZINC000603813634 350037598 /nfs/dbraw/zinc/03/75/98/350037598.db2.gz SVXPJPKMFRIVJH-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)on1 ZINC000603813854 350037713 /nfs/dbraw/zinc/03/77/13/350037713.db2.gz UJPZMGYQPMOAEI-UHFFFAOYSA-N 1 2 232.243 0.877 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000093332939 191004519 /nfs/dbraw/zinc/00/45/19/191004519.db2.gz QOTHGFUFVROALB-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000093332939 191004522 /nfs/dbraw/zinc/00/45/22/191004522.db2.gz QOTHGFUFVROALB-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1COCCO1 ZINC000603881779 350047764 /nfs/dbraw/zinc/04/77/64/350047764.db2.gz IZNZEBXRJNDPOO-JTQLQIEISA-N 1 2 247.254 0.688 20 0 BCADLO NC(=O)C1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000603883635 350047950 /nfs/dbraw/zinc/04/79/50/350047950.db2.gz HTIFMASGCOBIEI-UHFFFAOYSA-N 1 2 244.254 0.538 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000342587698 538049752 /nfs/dbraw/zinc/04/97/52/538049752.db2.gz JWESQGGUOBPBEU-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000342587698 538049756 /nfs/dbraw/zinc/04/97/56/538049756.db2.gz JWESQGGUOBPBEU-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CNC(=S)NCCNc1cccc[nH+]1 ZINC000007442789 350089366 /nfs/dbraw/zinc/08/93/66/350089366.db2.gz IDTSRXVIPHVEAO-UHFFFAOYSA-N 1 2 210.306 0.587 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000265000976 180009986 /nfs/dbraw/zinc/00/99/86/180009986.db2.gz WAPVYFXFMSGNGL-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000265000976 180009988 /nfs/dbraw/zinc/00/99/88/180009988.db2.gz WAPVYFXFMSGNGL-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC000265000976 180009990 /nfs/dbraw/zinc/00/99/90/180009990.db2.gz WAPVYFXFMSGNGL-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC000265000976 180009992 /nfs/dbraw/zinc/00/99/92/180009992.db2.gz WAPVYFXFMSGNGL-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1cc(CN[C@H](C)[C@H]2C[N@H+](C)CCO2)on1 ZINC000631093312 350116312 /nfs/dbraw/zinc/11/63/12/350116312.db2.gz JWZVOEQNCZPJMO-ZYHUDNBSSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1cc(CN[C@H](C)[C@H]2C[N@@H+](C)CCO2)on1 ZINC000631093312 350116315 /nfs/dbraw/zinc/11/63/15/350116315.db2.gz JWZVOEQNCZPJMO-ZYHUDNBSSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259813 180043475 /nfs/dbraw/zinc/04/34/75/180043475.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259813 180043477 /nfs/dbraw/zinc/04/34/77/180043477.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC000269259813 180043479 /nfs/dbraw/zinc/04/34/79/180043479.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC000269259813 180043482 /nfs/dbraw/zinc/04/34/82/180043482.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n[nH]1 ZINC000269259813 180043485 /nfs/dbraw/zinc/04/34/85/180043485.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n[nH]1 ZINC000269259813 180043487 /nfs/dbraw/zinc/04/34/87/180043487.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@H]2CCCC[N@@H+]2CCO)no1 ZINC000378012228 180055268 /nfs/dbraw/zinc/05/52/68/180055268.db2.gz ZBIHBIKKTDKEJX-SECBINFHSA-N 1 2 211.265 0.897 20 0 BCADLO Cc1nc([C@H]2CCCC[N@H+]2CCO)no1 ZINC000378012228 180055270 /nfs/dbraw/zinc/05/52/70/180055270.db2.gz ZBIHBIKKTDKEJX-SECBINFHSA-N 1 2 211.265 0.897 20 0 BCADLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C)CC1 ZINC000057567779 350126675 /nfs/dbraw/zinc/12/66/75/350126675.db2.gz OBRNKPNBLRRIMY-GFCCVEGCSA-N 1 2 239.363 0.635 20 0 BCADLO Cc1nc(N(C)CC(N)=O)c2c([nH+]1)CCCC2 ZINC000267973753 180068211 /nfs/dbraw/zinc/06/82/11/180068211.db2.gz NOKXRJLMXSHBTM-UHFFFAOYSA-N 1 2 234.303 0.585 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1ccncc1)C2 ZINC000267507873 180113092 /nfs/dbraw/zinc/11/30/92/180113092.db2.gz HZKNSYSUDFVUMU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccncc1)C2 ZINC000267507873 180113094 /nfs/dbraw/zinc/11/30/94/180113094.db2.gz HZKNSYSUDFVUMU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1c(C)n[nH]c1C)C2 ZINC000271178187 180113192 /nfs/dbraw/zinc/11/31/92/180113192.db2.gz KDYCZMMBGLMCKJ-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1c(C)n[nH]c1C)C2 ZINC000271178187 180113193 /nfs/dbraw/zinc/11/31/93/180113193.db2.gz KDYCZMMBGLMCKJ-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1c[nH]nc1C)C2 ZINC000271200925 180113448 /nfs/dbraw/zinc/11/34/48/180113448.db2.gz UBLUDTILUMSVHU-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1c[nH]nc1C)C2 ZINC000271200925 180113450 /nfs/dbraw/zinc/11/34/50/180113450.db2.gz UBLUDTILUMSVHU-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)O ZINC000270798097 180103380 /nfs/dbraw/zinc/10/33/80/180103380.db2.gz YTBVLGHBFPJCEO-SECBINFHSA-N 1 2 247.298 0.842 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCNC(=O)CO ZINC000270790438 180104022 /nfs/dbraw/zinc/10/40/22/180104022.db2.gz WTVSWYARCMXVIK-UHFFFAOYSA-N 1 2 233.271 0.453 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC=CC1 ZINC000637065440 350171449 /nfs/dbraw/zinc/17/14/49/350171449.db2.gz UJEZZTIYWHTZDE-JTQLQIEISA-N 1 2 232.287 0.779 20 0 BCADLO Cc1ncc(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC000339287791 180130603 /nfs/dbraw/zinc/13/06/03/180130603.db2.gz ZZGWKFBSVULFNS-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H](C)[S@@](C)=O)c[nH+]1 ZINC000333978441 180131073 /nfs/dbraw/zinc/13/10/73/180131073.db2.gz CBNWJDODNBMEOX-VGDKGRGNSA-N 1 2 243.332 0.605 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](C)Cn2cccn2)c[nH+]1 ZINC000339227344 180131765 /nfs/dbraw/zinc/13/17/65/180131765.db2.gz UXRDGSOSGJGPPP-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO CCn1ncnc1C[N@H+](CCCO)C1CC1 ZINC000404337909 490365946 /nfs/dbraw/zinc/36/59/46/490365946.db2.gz CMIAXDQLRJSNCA-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+](CCCO)C1CC1 ZINC000404337909 490365949 /nfs/dbraw/zinc/36/59/49/490365949.db2.gz CMIAXDQLRJSNCA-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@](C)(O)C(C)C ZINC000331041015 180118528 /nfs/dbraw/zinc/11/85/28/180118528.db2.gz QHBZWNYJFNWAIY-LLVKDONJSA-N 1 2 225.292 0.741 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)CC(C)(C)O ZINC000330995034 180118656 /nfs/dbraw/zinc/11/86/56/180118656.db2.gz LVEUVVMCEIBYIM-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccnc1 ZINC000358583760 180119216 /nfs/dbraw/zinc/11/92/16/180119216.db2.gz CBNQRLOFXZJTKI-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@](C)(O)C(C)C ZINC000331041021 180119438 /nfs/dbraw/zinc/11/94/38/180119438.db2.gz QHBZWNYJFNWAIY-NSHDSACASA-N 1 2 225.292 0.741 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnccn1 ZINC000353166118 180121049 /nfs/dbraw/zinc/12/10/49/180121049.db2.gz UHYQQJOHPQEKFN-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncc(O)c1 ZINC000339900598 180122517 /nfs/dbraw/zinc/12/25/17/180122517.db2.gz LFSXMFQQGKIBCO-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO CNC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000604886848 350194409 /nfs/dbraw/zinc/19/44/09/350194409.db2.gz XTAQNQPTZNXJST-SNVBAGLBSA-N 1 2 238.287 0.789 20 0 BCADLO CNC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000604886848 350194410 /nfs/dbraw/zinc/19/44/10/350194410.db2.gz XTAQNQPTZNXJST-SNVBAGLBSA-N 1 2 238.287 0.789 20 0 BCADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637100894 350200477 /nfs/dbraw/zinc/20/04/77/350200477.db2.gz VMOLFCIRIPWWFF-KXGXSXBTSA-N 1 2 246.314 0.906 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000074062920 490370828 /nfs/dbraw/zinc/37/08/28/490370828.db2.gz YNYLRACDXLALPG-ZYHUDNBSSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637143668 350216847 /nfs/dbraw/zinc/21/68/47/350216847.db2.gz IUCUPANKFTYSIG-FXPVBKGRSA-N 1 2 234.303 0.906 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000637112469 350202246 /nfs/dbraw/zinc/20/22/46/350202246.db2.gz KAHPHYFFSSUCJH-MBTKJCJQSA-N 1 2 236.275 0.196 20 0 BCADLO Cc1nc(N2CC[C@](C)(C(N)=O)C2)cc[nH+]1 ZINC000280233897 180194682 /nfs/dbraw/zinc/19/46/82/180194682.db2.gz LWYXCBOUOLJNLW-NSHDSACASA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N2CC[S@@](=O)C[C@H](C)C2)cc[nH+]1 ZINC000277915185 180194795 /nfs/dbraw/zinc/19/47/95/180194795.db2.gz GQEORVBWTSWSKX-JDNHERCYSA-N 1 2 239.344 0.990 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@@H]2CO)cc[nH+]1 ZINC000227165279 180194849 /nfs/dbraw/zinc/19/48/49/180194849.db2.gz NPYZVSUQQRJINY-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@](F)(CO)C2)cc[nH+]1 ZINC000338419071 180194908 /nfs/dbraw/zinc/19/49/08/180194908.db2.gz IMWNFGPBAHTLFZ-SNVBAGLBSA-N 1 2 211.240 0.696 20 0 BCADLO CCOC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424558 350206278 /nfs/dbraw/zinc/20/62/78/350206278.db2.gz XFJCWTZRNHXLMP-UHFFFAOYSA-N 1 2 238.291 0.547 20 0 BCADLO Cc1nc(NCCNC(=O)N(C)C)cc[nH+]1 ZINC000133353924 180197451 /nfs/dbraw/zinc/19/74/51/180197451.db2.gz LQONDRPHSPVURH-UHFFFAOYSA-N 1 2 223.280 0.468 20 0 BCADLO Cc1nc(NCC2(CO)CCOCC2)cc[nH+]1 ZINC000164084071 180197520 /nfs/dbraw/zinc/19/75/20/180197520.db2.gz WHSPDNGKSOWDQO-UHFFFAOYSA-N 1 2 237.303 0.986 20 0 BCADLO Cc1nc(NCCCS(C)(=O)=O)cc[nH+]1 ZINC000054936016 180197551 /nfs/dbraw/zinc/19/75/51/180197551.db2.gz QJGWXJDKBKNAQS-UHFFFAOYSA-N 1 2 229.305 0.632 20 0 BCADLO Cc1nc(NCCCc2nncn2C)cc[nH+]1 ZINC000294458735 180197820 /nfs/dbraw/zinc/19/78/20/180197820.db2.gz QKJSOQHQLNZVDE-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO Cc1nccc(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000266084776 180200047 /nfs/dbraw/zinc/20/00/47/180200047.db2.gz BXVUCVHTCPRDQJ-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(NC[C@H](CO)[C@@H]2CCOC2)cc[nH+]1 ZINC000281053191 180200901 /nfs/dbraw/zinc/20/09/01/180200901.db2.gz SGKFFNZPOSOXSO-GHMZBOCLSA-N 1 2 237.303 0.842 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@@H](CO)O2)cc[nH+]1 ZINC000292714957 180201122 /nfs/dbraw/zinc/20/11/22/180201122.db2.gz KYVYTHZMHMDHKO-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(NC[C@H]2COCCO2)cc[nH+]1 ZINC000054936022 180201128 /nfs/dbraw/zinc/20/11/28/180201128.db2.gz WFCYYUIUPSRGCP-VIFPVBQESA-N 1 2 209.249 0.612 20 0 BCADLO Cc1nc(NC[C@@H](CO)[C@@H]2CCOC2)cc[nH+]1 ZINC000281053192 180201511 /nfs/dbraw/zinc/20/15/11/180201511.db2.gz SGKFFNZPOSOXSO-MNOVXSKESA-N 1 2 237.303 0.842 20 0 BCADLO Cc1nc(N[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000266441164 180202497 /nfs/dbraw/zinc/20/24/97/180202497.db2.gz WFTQPGMIWBNOPG-MRVPVSSYSA-N 1 2 206.249 0.428 20 0 BCADLO C[N@H+](CC(=O)N1CCNC1=O)Cc1ccco1 ZINC000032810363 350209624 /nfs/dbraw/zinc/20/96/24/350209624.db2.gz YEHBYIAUBGFXCC-UHFFFAOYSA-N 1 2 237.259 0.263 20 0 BCADLO C[N@@H+](CC(=O)N1CCNC1=O)Cc1ccco1 ZINC000032810363 350209629 /nfs/dbraw/zinc/20/96/29/350209629.db2.gz YEHBYIAUBGFXCC-UHFFFAOYSA-N 1 2 237.259 0.263 20 0 BCADLO Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000175057811 180204573 /nfs/dbraw/zinc/20/45/73/180204573.db2.gz JDPOFGRVLRVEPE-VIFPVBQESA-N 1 2 232.287 0.960 20 0 BCADLO Cc1nc(N[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000082516051 180205432 /nfs/dbraw/zinc/20/54/32/180205432.db2.gz YGNSJXXTXYRBEY-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO Cc1nc(N[C@H](C)Cn2cncn2)cc[nH+]1 ZINC000266418357 180205674 /nfs/dbraw/zinc/20/56/74/180205674.db2.gz RQCGUSLRKFEPBD-MRVPVSSYSA-N 1 2 218.264 0.877 20 0 BCADLO Cc1nc(N[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000266441165 180205681 /nfs/dbraw/zinc/20/56/81/180205681.db2.gz WFTQPGMIWBNOPG-QMMMGPOBSA-N 1 2 206.249 0.428 20 0 BCADLO Cc1nc(N[C@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000077900703 180205691 /nfs/dbraw/zinc/20/56/91/180205691.db2.gz OJOXSZQLXASHSR-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO Cc1nc(N[C@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000193535110 180206063 /nfs/dbraw/zinc/20/60/63/180206063.db2.gz RJLUFXCHNZZROY-OIBJUYFYSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@H]2CCCCNC2=O)n1 ZINC000373644668 180184212 /nfs/dbraw/zinc/18/42/12/180184212.db2.gz OKAZXEZVIFWSFJ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@H]2CCCCNC2=O)n1 ZINC000373644668 180184215 /nfs/dbraw/zinc/18/42/15/180184215.db2.gz OKAZXEZVIFWSFJ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1ncccc1CC(=O)NCc1[nH+]ccn1C ZINC000285489421 180216292 /nfs/dbraw/zinc/21/62/92/180216292.db2.gz DIXLQNLWSLIQDA-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC(F)F ZINC000354332861 538076928 /nfs/dbraw/zinc/07/69/28/538076928.db2.gz RIAQGVOHBYBUBY-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC(F)F ZINC000354332861 538076934 /nfs/dbraw/zinc/07/69/34/538076934.db2.gz RIAQGVOHBYBUBY-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125024108 191080251 /nfs/dbraw/zinc/08/02/51/191080251.db2.gz TVYYAIXMUNFVNR-GFCCVEGCSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000125024108 191080254 /nfs/dbraw/zinc/08/02/54/191080254.db2.gz TVYYAIXMUNFVNR-GFCCVEGCSA-N 1 2 238.335 0.953 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124771829 490402486 /nfs/dbraw/zinc/40/24/86/490402486.db2.gz OGLVBRIGJMUIHD-IUCAKERBSA-N 1 2 245.348 0.884 20 0 BCADLO CC(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000605153058 350256922 /nfs/dbraw/zinc/25/69/22/350256922.db2.gz RSSHVKUERZCMTN-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CC(=O)NCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000605153058 350256927 /nfs/dbraw/zinc/25/69/27/350256927.db2.gz RSSHVKUERZCMTN-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CC(=O)NC[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000605148494 350257659 /nfs/dbraw/zinc/25/76/59/350257659.db2.gz YBBNORAPQAQBKH-LLVKDONJSA-N 1 2 235.287 0.423 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)CC[S@@](=O)C1 ZINC000617880707 350248521 /nfs/dbraw/zinc/24/85/21/350248521.db2.gz VRZGAXRKQJUETC-BJOHPYRUSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CC[S@@](=O)C1 ZINC000617880707 350248523 /nfs/dbraw/zinc/24/85/23/350248523.db2.gz VRZGAXRKQJUETC-BJOHPYRUSA-N 1 2 227.333 0.610 20 0 BCADLO Cc1[nH+]ccn1CCN1CCn2c(n[nH]c2=O)C1 ZINC000329991944 180256144 /nfs/dbraw/zinc/25/61/44/180256144.db2.gz KCLRKGUECYGCPF-UHFFFAOYSA-N 1 2 248.290 0.004 20 0 BCADLO Cc1[nH+]ccn1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336775870 180261528 /nfs/dbraw/zinc/26/15/28/180261528.db2.gz CXPAYNHIQSOUDJ-PWSUYJOCSA-N 1 2 222.336 0.731 20 0 BCADLO Cc1[nH+]ccn1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336775869 180261957 /nfs/dbraw/zinc/26/19/57/180261957.db2.gz CXPAYNHIQSOUDJ-JQWIXIFHSA-N 1 2 222.336 0.731 20 0 BCADLO O=C(CCc1ccncn1)Nc1cc[nH+]cc1O ZINC000427721506 191090036 /nfs/dbraw/zinc/09/00/36/191090036.db2.gz YDLRJUFTFUTGPI-UHFFFAOYSA-N 1 2 244.254 0.570 20 0 BCADLO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000038014071 350298494 /nfs/dbraw/zinc/29/84/94/350298494.db2.gz LUCUMHGNHMFPMO-SECBINFHSA-N 1 2 224.308 0.804 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(C)no2)CC1 ZINC000013367052 350301828 /nfs/dbraw/zinc/30/18/28/350301828.db2.gz PCWVVXSLLRTKFN-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000563921074 323322679 /nfs/dbraw/zinc/32/26/79/323322679.db2.gz XCUZHCIUEYMMGD-NXEZZACHSA-N 1 2 237.303 0.238 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC000606366012 350319848 /nfs/dbraw/zinc/31/98/48/350319848.db2.gz JDUXRRRUEVRBGN-QMMMGPOBSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC000606366012 350319849 /nfs/dbraw/zinc/31/98/49/350319849.db2.gz JDUXRRRUEVRBGN-QMMMGPOBSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)n[nH]1 ZINC000606366012 350319850 /nfs/dbraw/zinc/31/98/50/350319850.db2.gz JDUXRRRUEVRBGN-QMMMGPOBSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000606366012 350319852 /nfs/dbraw/zinc/31/98/52/350319852.db2.gz JDUXRRRUEVRBGN-QMMMGPOBSA-N 1 2 223.280 0.536 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1O ZINC000309376000 350360557 /nfs/dbraw/zinc/36/05/57/350360557.db2.gz QFFHKQMGNFXNBI-UWVGGRQHSA-N 1 2 223.276 0.303 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(O)CCCC1 ZINC000309374225 350361936 /nfs/dbraw/zinc/36/19/36/350361936.db2.gz PYDDCVISNWZWFC-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO C[C@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583348 350373065 /nfs/dbraw/zinc/37/30/65/350373065.db2.gz YALKGTYHFZBBRK-MRVPVSSYSA-N 1 2 234.259 0.837 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132255605 191102637 /nfs/dbraw/zinc/10/26/37/191102637.db2.gz PZJVMHYJNJVZJA-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO Cc1nn(C)c(C)c1C[NH+]1CC(n2ccnn2)C1 ZINC000359996027 180338975 /nfs/dbraw/zinc/33/89/75/180338975.db2.gz QAJUWUOGAXUHJM-UHFFFAOYSA-N 1 2 246.318 0.685 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)[C@@H]1CCOC1 ZINC000336671969 350430373 /nfs/dbraw/zinc/43/03/73/350430373.db2.gz GITIRXKYJIZPJM-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H]1CCOC1 ZINC000336671969 350430376 /nfs/dbraw/zinc/43/03/76/350430376.db2.gz GITIRXKYJIZPJM-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427989942 191104389 /nfs/dbraw/zinc/10/43/89/191104389.db2.gz BTVBLSXYYSQJDP-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1nn(C)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000113413299 180368256 /nfs/dbraw/zinc/36/82/56/180368256.db2.gz YEXBBABWFVYZLS-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427989943 191104601 /nfs/dbraw/zinc/10/46/01/191104601.db2.gz BTVBLSXYYSQJDP-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO CSCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998156 191105026 /nfs/dbraw/zinc/10/50/26/191105026.db2.gz VDTKWKQCDQZNMH-MRVPVSSYSA-N 1 2 225.317 0.677 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998135 191105398 /nfs/dbraw/zinc/10/53/98/191105398.db2.gz UXAJDVGZIXBRAL-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccn(C)n1 ZINC000564007040 323348627 /nfs/dbraw/zinc/34/86/27/323348627.db2.gz RYQVDJVOSLCKLG-LBPRGKRZSA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccn(C)n1 ZINC000564007040 323348628 /nfs/dbraw/zinc/34/86/28/323348628.db2.gz RYQVDJVOSLCKLG-LBPRGKRZSA-N 1 2 241.335 0.638 20 0 BCADLO CCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000070224667 350513398 /nfs/dbraw/zinc/51/33/98/350513398.db2.gz JAGMLVUVKNSDBH-UHFFFAOYSA-N 1 2 217.294 0.202 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000059951124 350496592 /nfs/dbraw/zinc/49/65/92/350496592.db2.gz NYHNGBSRXWQMOY-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCCOCC1 ZINC000059951124 350496596 /nfs/dbraw/zinc/49/65/96/350496596.db2.gz NYHNGBSRXWQMOY-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO Cc1nnc(C(=O)N2CCn3cc[nH+]c3C2)s1 ZINC000331876681 180397394 /nfs/dbraw/zinc/39/73/94/180397394.db2.gz LJZRDTQKWWLMSK-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO Cc1nnsc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000577495925 365969856 /nfs/dbraw/zinc/96/98/56/365969856.db2.gz BMYDCNGTHSYVPL-JTQLQIEISA-N 1 2 243.332 0.430 20 0 BCADLO Cc1nnsc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000577495925 365969863 /nfs/dbraw/zinc/96/98/63/365969863.db2.gz BMYDCNGTHSYVPL-JTQLQIEISA-N 1 2 243.332 0.430 20 0 BCADLO Cc1cc(CNC(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000606695256 350563507 /nfs/dbraw/zinc/56/35/07/350563507.db2.gz LRHMORIVDHLZRB-UHFFFAOYSA-N 1 2 237.307 0.175 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443359 350584241 /nfs/dbraw/zinc/58/42/41/350584241.db2.gz XQGNFBLSJWWTMH-GMTAPVOTSA-N 1 2 241.335 0.509 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443359 350584242 /nfs/dbraw/zinc/58/42/42/350584242.db2.gz XQGNFBLSJWWTMH-GMTAPVOTSA-N 1 2 241.335 0.509 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443353 350584354 /nfs/dbraw/zinc/58/43/54/350584354.db2.gz XQGNFBLSJWWTMH-AXFHLTTASA-N 1 2 241.335 0.509 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443353 350584356 /nfs/dbraw/zinc/58/43/56/350584356.db2.gz XQGNFBLSJWWTMH-AXFHLTTASA-N 1 2 241.335 0.509 20 0 BCADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H](O)CC ZINC000577529608 365980258 /nfs/dbraw/zinc/98/02/58/365980258.db2.gz VMPKPKUOHSAHHH-MNOVXSKESA-N 1 2 242.363 0.994 20 0 BCADLO CC[C@@H](O)[C@H](CC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577529610 365980270 /nfs/dbraw/zinc/98/02/70/365980270.db2.gz VMPKPKUOHSAHHH-WDEREUQCSA-N 1 2 242.363 0.994 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606937319 350629851 /nfs/dbraw/zinc/62/98/51/350629851.db2.gz WVZLOHDPFDQCMD-HTQZYQBOSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606937319 350629853 /nfs/dbraw/zinc/62/98/53/350629853.db2.gz WVZLOHDPFDQCMD-HTQZYQBOSA-N 1 2 243.225 0.257 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cncnc1 ZINC000577549435 365983736 /nfs/dbraw/zinc/98/37/36/365983736.db2.gz KBNIDASQTLDAHG-SECBINFHSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cncnc1 ZINC000577549435 365983738 /nfs/dbraw/zinc/98/37/38/365983738.db2.gz KBNIDASQTLDAHG-SECBINFHSA-N 1 2 243.270 0.487 20 0 BCADLO COC[C@H](C)C[N@H+](CCO)CC(F)F ZINC000193018855 365993887 /nfs/dbraw/zinc/99/38/87/365993887.db2.gz DQHCNHCJMMWCQW-MRVPVSSYSA-N 1 2 211.252 0.828 20 0 BCADLO COC[C@H](C)C[N@@H+](CCO)CC(F)F ZINC000193018855 365993896 /nfs/dbraw/zinc/99/38/96/365993896.db2.gz DQHCNHCJMMWCQW-MRVPVSSYSA-N 1 2 211.252 0.828 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C1CC1)C1CC1 ZINC000637558883 350707994 /nfs/dbraw/zinc/70/79/94/350707994.db2.gz DELHYCPHVRZFBR-LBPRGKRZSA-N 1 2 238.331 0.861 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C1CC1)C1CC1 ZINC000637558883 350707996 /nfs/dbraw/zinc/70/79/96/350707996.db2.gz DELHYCPHVRZFBR-LBPRGKRZSA-N 1 2 238.331 0.861 20 0 BCADLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000096474532 350677687 /nfs/dbraw/zinc/67/76/87/350677687.db2.gz MXAQQXRLTJBZQL-SECBINFHSA-N 1 2 221.260 0.784 20 0 BCADLO COC(=O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563236474 350715546 /nfs/dbraw/zinc/71/55/46/350715546.db2.gz SBZLZGKWHAHFTB-SECBINFHSA-N 1 2 239.275 0.514 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1ncnn1C ZINC000177265201 365991038 /nfs/dbraw/zinc/99/10/38/365991038.db2.gz APGICBGEBQREPZ-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1ncnn1C ZINC000177265201 365991044 /nfs/dbraw/zinc/99/10/44/365991044.db2.gz APGICBGEBQREPZ-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277274 365991119 /nfs/dbraw/zinc/99/11/19/365991119.db2.gz USWWLEIQNTVQGL-MRVPVSSYSA-N 1 2 240.225 0.074 20 0 BCADLO CN(C)C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277274 365991123 /nfs/dbraw/zinc/99/11/23/365991123.db2.gz USWWLEIQNTVQGL-MRVPVSSYSA-N 1 2 240.225 0.074 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593216 350697828 /nfs/dbraw/zinc/69/78/28/350697828.db2.gz PPSOEYNHLRJYMH-LLVKDONJSA-N 1 2 232.299 0.165 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338593216 350697829 /nfs/dbraw/zinc/69/78/29/350697829.db2.gz PPSOEYNHLRJYMH-LLVKDONJSA-N 1 2 232.299 0.165 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)C1CCC1 ZINC000617312091 350720436 /nfs/dbraw/zinc/72/04/36/350720436.db2.gz RHAAYXORSRPGBH-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO CC(C)C[N@@H+]1CCO[C@@H](C[NH+](C)CC(=O)[O-])C1 ZINC000035305551 358458119 /nfs/dbraw/zinc/45/81/19/358458119.db2.gz FEFIISUKRAVQCB-NSHDSACASA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[N@H+]1CCO[C@@H](C[NH+](C)CC(=O)[O-])C1 ZINC000035305551 358458123 /nfs/dbraw/zinc/45/81/23/358458123.db2.gz FEFIISUKRAVQCB-NSHDSACASA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[NH+]1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000035305551 358458126 /nfs/dbraw/zinc/45/81/26/358458126.db2.gz FEFIISUKRAVQCB-NSHDSACASA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[NH+]1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000035305551 358458130 /nfs/dbraw/zinc/45/81/30/358458130.db2.gz FEFIISUKRAVQCB-NSHDSACASA-N 1 2 244.335 0.360 20 0 BCADLO CCc1nc(NC(=O)CCc2c[nH+]cn2C)n[nH]1 ZINC000339168363 350738742 /nfs/dbraw/zinc/73/87/42/350738742.db2.gz CYGPYCHMILHTPU-UHFFFAOYSA-N 1 2 248.290 0.672 20 0 BCADLO CCc1nnc(NC(=O)CCc2c[nH+]cn2C)[nH]1 ZINC000339168363 350738745 /nfs/dbraw/zinc/73/87/45/350738745.db2.gz CYGPYCHMILHTPU-UHFFFAOYSA-N 1 2 248.290 0.672 20 0 BCADLO O=C1C[C@@H](CNc2cc[nH+]c3ccncc23)CN1 ZINC000577588047 366007037 /nfs/dbraw/zinc/00/70/37/366007037.db2.gz FQUSZIAUGKSRAQ-VIFPVBQESA-N 1 2 242.282 0.600 20 0 BCADLO CN(c1cc(-n2cc[nH+]c2)ncn1)[C@H]1CCOC1 ZINC000607145620 350943156 /nfs/dbraw/zinc/94/31/56/350943156.db2.gz ZNISKWYIXBABOG-JTQLQIEISA-N 1 2 245.286 0.887 20 0 BCADLO CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CCOC1 ZINC000607145624 350943791 /nfs/dbraw/zinc/94/37/91/350943791.db2.gz ZNISKWYIXBABOG-SNVBAGLBSA-N 1 2 245.286 0.887 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccccn1 ZINC000259096914 351068556 /nfs/dbraw/zinc/06/85/56/351068556.db2.gz AAHUNLBLPYTJQS-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccccn1 ZINC000259096914 351068559 /nfs/dbraw/zinc/06/85/59/351068559.db2.gz AAHUNLBLPYTJQS-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cnn[nH]2)c1C ZINC000398377622 351124574 /nfs/dbraw/zinc/12/45/74/351124574.db2.gz GEKCZDRIKMPPHI-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO CNC(=O)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628352313 351315056 /nfs/dbraw/zinc/31/50/56/351315056.db2.gz DODAOWCPIJFIDN-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000265623011 351272657 /nfs/dbraw/zinc/27/26/57/351272657.db2.gz BTROTWYIOIXRJK-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000265623011 351272661 /nfs/dbraw/zinc/27/26/61/351272661.db2.gz BTROTWYIOIXRJK-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccc(=O)[nH]c2)c1 ZINC000313465822 351361982 /nfs/dbraw/zinc/36/19/82/351361982.db2.gz BWRWKXQQMDKALX-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO Cc1n[nH]cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000313479993 351364705 /nfs/dbraw/zinc/36/47/05/351364705.db2.gz JVLIUNXXSHAUMF-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO CC[N@H+](Cc1nc(=O)[nH][nH]1)Cc1ccncc1 ZINC000271744953 351432847 /nfs/dbraw/zinc/43/28/47/351432847.db2.gz XHCFPQYUCPOWOX-UHFFFAOYSA-N 1 2 233.275 0.515 20 0 BCADLO CC[N@@H+](Cc1nc(=O)[nH][nH]1)Cc1ccncc1 ZINC000271744953 351432851 /nfs/dbraw/zinc/43/28/51/351432851.db2.gz XHCFPQYUCPOWOX-UHFFFAOYSA-N 1 2 233.275 0.515 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000090273080 363030662 /nfs/dbraw/zinc/03/06/62/363030662.db2.gz FRCKZBXKYAWARS-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC(=O)[C@@H](C)NCC(C)(C)[NH+]1CCOCC1 ZINC000090273080 363030664 /nfs/dbraw/zinc/03/06/64/363030664.db2.gz FRCKZBXKYAWARS-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)on1 ZINC000088094253 351569384 /nfs/dbraw/zinc/56/93/84/351569384.db2.gz IKASFEDNRHITQV-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)on1 ZINC000088094253 351569385 /nfs/dbraw/zinc/56/93/85/351569385.db2.gz IKASFEDNRHITQV-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO CCN(c1cc[nH+]cc1)S(=O)(=O)C1COC1 ZINC000276930272 351662321 /nfs/dbraw/zinc/66/23/21/351662321.db2.gz ABASRLSRHHLWGY-UHFFFAOYSA-N 1 2 242.300 0.637 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccns1 ZINC000637859103 351716459 /nfs/dbraw/zinc/71/64/59/351716459.db2.gz SAAASHNJIUDETR-UHFFFAOYSA-N 1 2 213.306 0.839 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccns1 ZINC000637859103 351716462 /nfs/dbraw/zinc/71/64/62/351716462.db2.gz SAAASHNJIUDETR-UHFFFAOYSA-N 1 2 213.306 0.839 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637875929 351740926 /nfs/dbraw/zinc/74/09/26/351740926.db2.gz YCZSZEDNGNVBAR-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H]1CN(CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000637883617 351748041 /nfs/dbraw/zinc/74/80/41/351748041.db2.gz QKPLHFRMCWZKJC-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637937609 351815287 /nfs/dbraw/zinc/81/52/87/351815287.db2.gz VVHVXZWWUJIPSR-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@H+](Cc1cc(C)no1)[C@@H]1CCNC1=O ZINC000281998055 351920230 /nfs/dbraw/zinc/92/02/30/351920230.db2.gz XGKQTOKBIFJZOQ-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1cc(C)no1)[C@@H]1CCNC1=O ZINC000281998055 351920234 /nfs/dbraw/zinc/92/02/34/351920234.db2.gz XGKQTOKBIFJZOQ-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283130737 351961428 /nfs/dbraw/zinc/96/14/28/351961428.db2.gz NLZZUJQHWUUUPM-FCVPOFOPSA-N 1 2 235.287 0.699 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1ccnn1C ZINC000284280154 351994942 /nfs/dbraw/zinc/99/49/42/351994942.db2.gz FHYGXVIBHSHIBW-LLVKDONJSA-N 1 2 236.319 0.173 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccnn1C ZINC000284280154 351994944 /nfs/dbraw/zinc/99/49/44/351994944.db2.gz FHYGXVIBHSHIBW-LLVKDONJSA-N 1 2 236.319 0.173 20 0 BCADLO C[C@@]1(F)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000336267440 191145568 /nfs/dbraw/zinc/14/55/68/191145568.db2.gz QODDJGWIIDECGX-SECBINFHSA-N 1 2 217.244 0.005 20 0 BCADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000336267440 191145570 /nfs/dbraw/zinc/14/55/70/191145570.db2.gz QODDJGWIIDECGX-SECBINFHSA-N 1 2 217.244 0.005 20 0 BCADLO CC1(C)C[C@@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286151350 352078296 /nfs/dbraw/zinc/07/82/96/352078296.db2.gz ZWJNKWGSUWYSSH-IUCAKERBSA-N 1 2 248.286 0.671 20 0 BCADLO CC1(C)C[C@@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286151350 352078302 /nfs/dbraw/zinc/07/83/02/352078302.db2.gz ZWJNKWGSUWYSSH-IUCAKERBSA-N 1 2 248.286 0.671 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NCc2ccco2)o1 ZINC000638344545 352163528 /nfs/dbraw/zinc/16/35/28/352163528.db2.gz OCKRHUSBRFJFFO-UHFFFAOYSA-N 1 2 249.270 0.982 20 0 BCADLO C[C@@H](C(=O)N(C)C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638377867 352189479 /nfs/dbraw/zinc/18/94/79/352189479.db2.gz NSPUOFVSJOZAEK-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000219364052 363134624 /nfs/dbraw/zinc/13/46/24/363134624.db2.gz IWSXZAVGKYEGFB-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000219364052 363134626 /nfs/dbraw/zinc/13/46/26/363134626.db2.gz IWSXZAVGKYEGFB-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO COc1ncncc1C[NH2+]C1(C)COC1 ZINC000630072707 363155892 /nfs/dbraw/zinc/15/58/92/363155892.db2.gz WEQZIDMVUNEZDP-UHFFFAOYSA-N 1 2 209.249 0.364 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCCNC2=O)o1 ZINC000638459735 352271098 /nfs/dbraw/zinc/27/10/98/352271098.db2.gz HREKTLKKLQJRKM-QMMMGPOBSA-N 1 2 209.249 0.351 20 0 BCADLO COc1ccnc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000638443205 352252791 /nfs/dbraw/zinc/25/27/91/352252791.db2.gz JSRJBKBFEYLACW-MRVPVSSYSA-N 1 2 239.300 0.691 20 0 BCADLO CC(C)(C)[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000383583489 352315979 /nfs/dbraw/zinc/31/59/79/352315979.db2.gz MLUHAGJMORLUDC-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(N)=O ZINC000411187260 191167393 /nfs/dbraw/zinc/16/73/93/191167393.db2.gz ZUEQTMWDKKZKER-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(N)=O ZINC000411187260 191167396 /nfs/dbraw/zinc/16/73/96/191167396.db2.gz ZUEQTMWDKKZKER-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000336065252 538102903 /nfs/dbraw/zinc/10/29/03/538102903.db2.gz NWEKMWPLQQNMIR-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000336065252 538102904 /nfs/dbraw/zinc/10/29/04/538102904.db2.gz NWEKMWPLQQNMIR-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Nc1cnn(CCF)c1)[C@@H]1CSC[NH2+]1 ZINC000638535928 352367094 /nfs/dbraw/zinc/36/70/94/352367094.db2.gz VLUUKDVAXCVDJX-QMMMGPOBSA-N 1 2 244.295 0.454 20 0 BCADLO COC[C@@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411450412 191188008 /nfs/dbraw/zinc/18/80/08/191188008.db2.gz YJUBAKXIYPCXEF-LLVKDONJSA-N 1 2 245.319 0.459 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000411565283 191194055 /nfs/dbraw/zinc/19/40/55/191194055.db2.gz GNKPAZKMEZUUQQ-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO COC[C@@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000411565283 191194058 /nfs/dbraw/zinc/19/40/58/191194058.db2.gz GNKPAZKMEZUUQQ-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@](C)(O)C1CCC1 ZINC000362748955 180744730 /nfs/dbraw/zinc/74/47/30/180744730.db2.gz SXXLICBHBJKBPL-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO CSCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151228924 352472886 /nfs/dbraw/zinc/47/28/86/352472886.db2.gz DHCWHHKUPQULBF-SECBINFHSA-N 1 2 239.344 0.925 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CCCF ZINC000613414045 363188737 /nfs/dbraw/zinc/18/87/37/363188737.db2.gz ZBSPYNLOHPOBIW-UHFFFAOYSA-N 1 2 213.256 0.829 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411838710 191215781 /nfs/dbraw/zinc/21/57/81/191215781.db2.gz CMJITCQDVFAWSL-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411838710 191215784 /nfs/dbraw/zinc/21/57/84/191215784.db2.gz CMJITCQDVFAWSL-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO CCOC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000608010388 352597327 /nfs/dbraw/zinc/59/73/27/352597327.db2.gz BDCVCPGOGDHRNX-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO COC1CC(C(=O)N2CCn3cc(C)[nH+]c3C2)C1 ZINC000626417374 352602703 /nfs/dbraw/zinc/60/27/03/352602703.db2.gz OPZOTPLSFKYNFE-UHFFFAOYSA-N 1 2 249.314 0.959 20 0 BCADLO COC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411960763 191234675 /nfs/dbraw/zinc/23/46/75/191234675.db2.gz ZHSXDDWKBNKVII-LDYMZIIASA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411960760 191234681 /nfs/dbraw/zinc/23/46/81/191234681.db2.gz ZHSXDDWKBNKVII-GZMMTYOYSA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411961462 191235060 /nfs/dbraw/zinc/23/50/60/191235060.db2.gz ZWJFLOJUQVYTGY-NWDGAFQWSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411961462 191235064 /nfs/dbraw/zinc/23/50/64/191235064.db2.gz ZWJFLOJUQVYTGY-NWDGAFQWSA-N 1 2 235.283 0.967 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c[nH+]1 ZINC000617438545 352684950 /nfs/dbraw/zinc/68/49/50/352684950.db2.gz YKUZSZGMIYWXGX-HTRCEHHLSA-N 1 2 246.274 0.745 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H](CC(C)C)C(N)=O ZINC000412054055 191245226 /nfs/dbraw/zinc/24/52/26/191245226.db2.gz HGKZGMJAMCCCCL-SNVBAGLBSA-N 1 2 249.314 0.898 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000151360808 352755207 /nfs/dbraw/zinc/75/52/07/352755207.db2.gz VLSAFAUILHPFMS-BDAKNGLRSA-N 1 2 217.309 0.935 20 0 BCADLO Cn1nnnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608083199 352755976 /nfs/dbraw/zinc/75/59/76/352755976.db2.gz YKXZGQKBPSVBGP-SECBINFHSA-N 1 2 233.279 0.248 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)OC[C@H]1CCCO1 ZINC000290249179 180784820 /nfs/dbraw/zinc/78/48/20/180784820.db2.gz RGWVNCBNXUHHEL-SNVBAGLBSA-N 1 2 239.275 0.825 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CC3)C[C@H]21 ZINC000334183932 352772076 /nfs/dbraw/zinc/77/20/76/352772076.db2.gz BRKGBGXFEKWXSA-MNOVXSKESA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CC3)C[C@H]21 ZINC000334183932 352772078 /nfs/dbraw/zinc/77/20/78/352772078.db2.gz BRKGBGXFEKWXSA-MNOVXSKESA-N 1 2 239.319 0.263 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000334213445 352811552 /nfs/dbraw/zinc/81/15/52/352811552.db2.gz FZPDHRHRHUGIQL-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000334213445 352811555 /nfs/dbraw/zinc/81/15/55/352811555.db2.gz FZPDHRHRHUGIQL-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO CC(C)n1cnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000334217027 352817125 /nfs/dbraw/zinc/81/71/25/352817125.db2.gz WEXAKWHJJRZHGB-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412077727 191254072 /nfs/dbraw/zinc/25/40/72/191254072.db2.gz JOCKEUWPOCVIIY-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412077727 191254075 /nfs/dbraw/zinc/25/40/75/191254075.db2.gz JOCKEUWPOCVIIY-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO C[N@H+](Cc1cncc(F)c1)[C@H]1CCNC1=O ZINC000334191882 352782952 /nfs/dbraw/zinc/78/29/52/352782952.db2.gz JXSRUVCWDDOXMC-JTQLQIEISA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1cncc(F)c1)[C@H]1CCNC1=O ZINC000334191882 352782954 /nfs/dbraw/zinc/78/29/54/352782954.db2.gz JXSRUVCWDDOXMC-JTQLQIEISA-N 1 2 223.251 0.541 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)[nH]1 ZINC000412074089 191250802 /nfs/dbraw/zinc/25/08/02/191250802.db2.gz IMDCCDBHPUIOGF-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](CO)[C@H]2C)[nH]1 ZINC000412074089 191250804 /nfs/dbraw/zinc/25/08/04/191250804.db2.gz IMDCCDBHPUIOGF-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)[nH]1 ZINC000412074094 191252397 /nfs/dbraw/zinc/25/23/97/191252397.db2.gz IMDCCDBHPUIOGF-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)[nH]1 ZINC000412074094 191252400 /nfs/dbraw/zinc/25/24/00/191252400.db2.gz IMDCCDBHPUIOGF-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000334231538 352849214 /nfs/dbraw/zinc/84/92/14/352849214.db2.gz UQMCQABPLJQUIC-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000334231538 352849216 /nfs/dbraw/zinc/84/92/16/352849216.db2.gz UQMCQABPLJQUIC-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)N1CCC1 ZINC000334239125 352858706 /nfs/dbraw/zinc/85/87/06/352858706.db2.gz NIVRTTOODQJLFR-MNOVXSKESA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)N1CCC1 ZINC000334239125 352858709 /nfs/dbraw/zinc/85/87/09/352858709.db2.gz NIVRTTOODQJLFR-MNOVXSKESA-N 1 2 224.304 0.472 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412084502 191255635 /nfs/dbraw/zinc/25/56/35/191255635.db2.gz MMRHKHIRPNFKOK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412084502 191255638 /nfs/dbraw/zinc/25/56/38/191255638.db2.gz MMRHKHIRPNFKOK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@H]2CCNC2=O)n1C ZINC000342806983 352860430 /nfs/dbraw/zinc/86/04/30/352860430.db2.gz MBXQJVCWHUHLTE-VIFPVBQESA-N 1 2 222.292 0.049 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCC1 ZINC000334258579 352869499 /nfs/dbraw/zinc/86/94/99/352869499.db2.gz SDLSABXGCPFYGU-NWDGAFQWSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCC1 ZINC000334258579 352869505 /nfs/dbraw/zinc/86/95/05/352869505.db2.gz SDLSABXGCPFYGU-NWDGAFQWSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@H]3C(=O)NC[C@@H]32)n1C ZINC000342842136 352871098 /nfs/dbraw/zinc/87/10/98/352871098.db2.gz CFSGCIRMILUYSY-MNOVXSKESA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@@H]32)n1C ZINC000342842136 352871102 /nfs/dbraw/zinc/87/11/02/352871102.db2.gz CFSGCIRMILUYSY-MNOVXSKESA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@@H]32)n1C ZINC000342842136 352871105 /nfs/dbraw/zinc/87/11/05/352871105.db2.gz CFSGCIRMILUYSY-MNOVXSKESA-N 1 2 248.330 0.439 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@](F)(CO)C2)n1C ZINC000342841694 352871129 /nfs/dbraw/zinc/87/11/29/352871129.db2.gz QNDFXBOATOHAGH-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CCNC1=O ZINC000342849905 352874314 /nfs/dbraw/zinc/87/43/14/352874314.db2.gz VKQDIHDKBYOXIL-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO CO[C@H]1CN(Cc2[nH+]cc(C)n2C)C[C@@H]1OC ZINC000342854824 352876302 /nfs/dbraw/zinc/87/63/02/352876302.db2.gz UHZGMGZNHKVGBP-QWRGUYRKSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@H]1C[NH+](Cc2ncc(C)n2C)C[C@@H]1OC ZINC000342854824 352876304 /nfs/dbraw/zinc/87/63/04/352876304.db2.gz UHZGMGZNHKVGBP-QWRGUYRKSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@@H]1CN(Cc2[nH+]cc(C)n2C)C[C@@H]1OC ZINC000342854823 352876587 /nfs/dbraw/zinc/87/65/87/352876587.db2.gz UHZGMGZNHKVGBP-PHIMTYICSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc(C)n2C)C[C@@H]1OC ZINC000342854823 352876593 /nfs/dbraw/zinc/87/65/93/352876593.db2.gz UHZGMGZNHKVGBP-PHIMTYICSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)n2C)C[C@@H]1OC ZINC000342854823 352876598 /nfs/dbraw/zinc/87/65/98/352876598.db2.gz UHZGMGZNHKVGBP-PHIMTYICSA-N 1 2 239.319 0.574 20 0 BCADLO Cc1c[nH+]c(CN2CC(=O)N(C)[C@@H](C)C2)n1C ZINC000342864365 352881506 /nfs/dbraw/zinc/88/15/06/352881506.db2.gz WOAKHGUNBXSLSJ-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000334261689 352895022 /nfs/dbraw/zinc/89/50/22/352895022.db2.gz YIQZAFVNFKVMAM-CYBMUJFWSA-N 1 2 248.330 0.820 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000334261689 352895023 /nfs/dbraw/zinc/89/50/23/352895023.db2.gz YIQZAFVNFKVMAM-CYBMUJFWSA-N 1 2 248.330 0.820 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@]2(C)CO)c[nH+]1 ZINC000334266291 352901420 /nfs/dbraw/zinc/90/14/20/352901420.db2.gz NKGBUVVDVLUSLN-CMPLNLGQSA-N 1 2 237.303 0.999 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412097004 191260483 /nfs/dbraw/zinc/26/04/83/191260483.db2.gz SUBUSYIDCZCFCF-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412097004 191260486 /nfs/dbraw/zinc/26/04/86/191260486.db2.gz SUBUSYIDCZCFCF-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO COCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000334309508 352941765 /nfs/dbraw/zinc/94/17/65/352941765.db2.gz JRNIIRDCASGIOS-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]1CF ZINC000334319459 352950600 /nfs/dbraw/zinc/95/06/00/352950600.db2.gz UFLNIKVWZFJRHZ-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]1CF ZINC000334319459 352950602 /nfs/dbraw/zinc/95/06/02/352950602.db2.gz UFLNIKVWZFJRHZ-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)COCCOC)C(=O)OC ZINC000336749768 353015061 /nfs/dbraw/zinc/01/50/61/353015061.db2.gz YYOONARWWINXGI-VHSXEESVSA-N 1 2 233.308 0.579 20 0 BCADLO Nc1nc(N)c(CN2CCC(F)(F)C2)c[nH+]1 ZINC000638842022 353018347 /nfs/dbraw/zinc/01/83/47/353018347.db2.gz JNWWLWHFOIZHES-UHFFFAOYSA-N 1 2 229.234 0.143 20 0 BCADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@H]1CSC[NH2+]1 ZINC000638857036 353033304 /nfs/dbraw/zinc/03/33/04/353033304.db2.gz XAYOFCSMGLAACN-MRVPVSSYSA-N 1 2 238.316 0.888 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@]23CCOC3)s1 ZINC000367450125 188007665 /nfs/dbraw/zinc/00/76/65/188007665.db2.gz NXNOPGBGJICTOT-SNVBAGLBSA-N 1 2 241.316 0.999 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000341376303 188043644 /nfs/dbraw/zinc/04/36/44/188043644.db2.gz YDBYFXBDCFDJMW-DTORHVGOSA-N 1 2 232.239 0.595 20 0 BCADLO CC(=O)[C@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000340693535 188044165 /nfs/dbraw/zinc/04/41/65/188044165.db2.gz CDLSRHKERJWYOB-JTQLQIEISA-N 1 2 244.360 0.471 20 0 BCADLO Cc1nc(N(C)CC(=O)NC(C)C)cc[nH+]1 ZINC000266105422 188022696 /nfs/dbraw/zinc/02/26/96/188022696.db2.gz ISPOKOOKLHVHIX-UHFFFAOYSA-N 1 2 222.292 0.746 20 0 BCADLO CC(C)(C)OC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000274054753 188027146 /nfs/dbraw/zinc/02/71/46/188027146.db2.gz HGDBCWZSEKESLY-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO Cc1nn(C(C)C)cc1C[N@H+](C)CC(N)=O ZINC000281747885 188032574 /nfs/dbraw/zinc/03/25/74/188032574.db2.gz VVXCQUBLRYPLKA-UHFFFAOYSA-N 1 2 224.308 0.690 20 0 BCADLO Cc1nn(C(C)C)cc1C[N@@H+](C)CC(N)=O ZINC000281747885 188032576 /nfs/dbraw/zinc/03/25/76/188032576.db2.gz VVXCQUBLRYPLKA-UHFFFAOYSA-N 1 2 224.308 0.690 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)CCCO)cs1 ZINC000282017732 188032870 /nfs/dbraw/zinc/03/28/70/188032870.db2.gz YMDISRXPOYSRFL-UHFFFAOYSA-N 1 2 243.332 0.916 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)CCCO)cs1 ZINC000282017732 188032872 /nfs/dbraw/zinc/03/28/72/188032872.db2.gz YMDISRXPOYSRFL-UHFFFAOYSA-N 1 2 243.332 0.916 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCNC(=O)C1 ZINC000287704781 188035409 /nfs/dbraw/zinc/03/54/09/188035409.db2.gz ZUGRXJRCXBDVMD-UHFFFAOYSA-N 1 2 248.286 0.662 20 0 BCADLO CC(C)[C@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000292053255 188037012 /nfs/dbraw/zinc/03/70/12/188037012.db2.gz YSPOOZXGKSALEU-QWRGUYRKSA-N 1 2 239.319 0.652 20 0 BCADLO CC(C)CNC(=O)NCCn1cc[nH+]c1 ZINC000042947879 188043345 /nfs/dbraw/zinc/04/33/45/188043345.db2.gz GDIRCYRIRMSZHV-UHFFFAOYSA-N 1 2 210.281 0.838 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2nnn(C)n2)CCCO1 ZINC000328804155 188046320 /nfs/dbraw/zinc/04/63/20/188046320.db2.gz KHJPFZNZJGPBAH-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2nnn(C)n2)CCCO1 ZINC000328804155 188046321 /nfs/dbraw/zinc/04/63/21/188046321.db2.gz KHJPFZNZJGPBAH-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)CS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000336342607 188054861 /nfs/dbraw/zinc/05/48/61/188054861.db2.gz QZHJHKGUHHYBJU-PHIMTYICSA-N 1 2 248.392 0.997 20 0 BCADLO CC(C)CS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000336342607 188054862 /nfs/dbraw/zinc/05/48/62/188054862.db2.gz QZHJHKGUHHYBJU-PHIMTYICSA-N 1 2 248.392 0.997 20 0 BCADLO CC(C)[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000336539066 188057490 /nfs/dbraw/zinc/05/74/90/188057490.db2.gz KOOGMQZLGMNODB-UHFFFAOYSA-N 1 2 246.376 0.941 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485108 353153170 /nfs/dbraw/zinc/15/31/70/353153170.db2.gz WTKRQQPGVUUOJQ-SNVBAGLBSA-N 1 2 249.314 0.679 20 0 BCADLO C[C@]12CCCN1C(=O)N(CCn1cc[nH+]c1)C2=O ZINC000329401301 538108980 /nfs/dbraw/zinc/10/89/80/538108980.db2.gz YYBTVAVAEPEJGU-GFCCVEGCSA-N 1 2 248.286 0.700 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329559009 538109227 /nfs/dbraw/zinc/10/92/27/538109227.db2.gz IGJXKNPOYHRSNP-SNVBAGLBSA-N 1 2 234.303 0.525 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329559009 538109228 /nfs/dbraw/zinc/10/92/28/538109228.db2.gz IGJXKNPOYHRSNP-SNVBAGLBSA-N 1 2 234.303 0.525 20 0 BCADLO C[C@@H]1CCN(c2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000532088426 353170020 /nfs/dbraw/zinc/17/00/20/353170020.db2.gz SWNTXBSUHMOWKI-NXEZZACHSA-N 1 2 247.306 0.494 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330568197 353175201 /nfs/dbraw/zinc/17/52/01/353175201.db2.gz LPTJJWDULLWLJK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1nnnc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000330364557 180873711 /nfs/dbraw/zinc/87/37/11/180873711.db2.gz RETJSBXDSKNAFR-SSDOTTSWSA-N 1 2 226.284 0.250 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCc1ccncc1 ZINC000159261374 538111427 /nfs/dbraw/zinc/11/14/27/538111427.db2.gz MVWVVTPZNWPZRE-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCc1ccncc1 ZINC000159261374 538111428 /nfs/dbraw/zinc/11/14/28/538111428.db2.gz MVWVVTPZNWPZRE-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188526586 353247535 /nfs/dbraw/zinc/24/75/35/353247535.db2.gz IFMKVQKVIWWTDV-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188526586 353247536 /nfs/dbraw/zinc/24/75/36/353247536.db2.gz IFMKVQKVIWWTDV-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@H+](Cc1cnc(C)cn1)[C@@H]1CCNC1=O ZINC000331308803 353239802 /nfs/dbraw/zinc/23/98/02/353239802.db2.gz TWWUBWVNMLYZHQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cnc(C)cn1)[C@@H]1CCNC1=O ZINC000331308803 353239803 /nfs/dbraw/zinc/23/98/03/353239803.db2.gz TWWUBWVNMLYZHQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[NH+](CCCF)CC1 ZINC000627958326 353270578 /nfs/dbraw/zinc/27/05/78/353270578.db2.gz PHFQYVDQDJYGCT-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000134820036 538113853 /nfs/dbraw/zinc/11/38/53/538113853.db2.gz VDGHPTTWRFDJKX-SSDOTTSWSA-N 1 2 224.308 0.880 20 0 BCADLO C[NH+](C)C1(C(=O)Nc2ncccc2O)CC1 ZINC000613427590 363211514 /nfs/dbraw/zinc/21/15/14/363211514.db2.gz UTRMAXUUDRMAKA-UHFFFAOYSA-N 1 2 221.260 0.820 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000016419498 188231765 /nfs/dbraw/zinc/23/17/65/188231765.db2.gz PZVOAGROWGYTST-UHFFFAOYSA-N 1 2 229.324 0.097 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000016419498 188231766 /nfs/dbraw/zinc/23/17/66/188231766.db2.gz PZVOAGROWGYTST-UHFFFAOYSA-N 1 2 229.324 0.097 20 0 BCADLO Cc1nn(C)cc1CNC(=O)CCn1cc[nH+]c1 ZINC000358081470 188240288 /nfs/dbraw/zinc/24/02/88/188240288.db2.gz WTDNNANYOWFPBU-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnnn1C ZINC000360482877 188242416 /nfs/dbraw/zinc/24/24/16/188242416.db2.gz LDYDMLGOTCQBEK-VIFPVBQESA-N 1 2 227.312 0.049 20 0 BCADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1nnnn1C ZINC000360482877 188242418 /nfs/dbraw/zinc/24/24/18/188242418.db2.gz LDYDMLGOTCQBEK-VIFPVBQESA-N 1 2 227.312 0.049 20 0 BCADLO CCN(C)c1ccc(C[N@H+](C)CC(N)=O)cn1 ZINC000361508159 188243835 /nfs/dbraw/zinc/24/38/35/188243835.db2.gz JGPBMEFVUOVCBK-UHFFFAOYSA-N 1 2 236.319 0.455 20 0 BCADLO CCN(C)c1ccc(C[N@@H+](C)CC(N)=O)cn1 ZINC000361508159 188243836 /nfs/dbraw/zinc/24/38/36/188243836.db2.gz JGPBMEFVUOVCBK-UHFFFAOYSA-N 1 2 236.319 0.455 20 0 BCADLO CC(=O)CCN1CCn2cc(C)[nH+]c2C1 ZINC000371699718 188247519 /nfs/dbraw/zinc/24/75/19/188247519.db2.gz JKLCVZCPHYVDQG-UHFFFAOYSA-N 1 2 207.277 0.986 20 0 BCADLO O=C(NCCF)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000369714071 188248567 /nfs/dbraw/zinc/24/85/67/188248567.db2.gz XNLPPHFWNKXRMB-NSHDSACASA-N 1 2 244.310 0.573 20 0 BCADLO O=C(NCCF)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000369714071 188248569 /nfs/dbraw/zinc/24/85/69/188248569.db2.gz XNLPPHFWNKXRMB-NSHDSACASA-N 1 2 244.310 0.573 20 0 BCADLO CO[C@@H](C[NH+]1CC(F)C1)[C@@H]1CCOC1 ZINC000639038077 353310417 /nfs/dbraw/zinc/31/04/17/353310417.db2.gz KXEDABSNHMDZGL-SCZZXKLOSA-N 1 2 203.257 0.692 20 0 BCADLO CO[C@H](C[NH+]1CC(F)C1)[C@@H]1CCOC1 ZINC000639038076 353310691 /nfs/dbraw/zinc/31/06/91/353310691.db2.gz KXEDABSNHMDZGL-PSASIEDQSA-N 1 2 203.257 0.692 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCCn2nccc21 ZINC000330026914 538114841 /nfs/dbraw/zinc/11/48/41/538114841.db2.gz MFHSLDGLMAKNIF-UHFFFAOYSA-N 1 2 245.286 0.976 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCCn2nccc21 ZINC000330026914 538114842 /nfs/dbraw/zinc/11/48/42/538114842.db2.gz MFHSLDGLMAKNIF-UHFFFAOYSA-N 1 2 245.286 0.976 20 0 BCADLO Cn1ccnc(NCCCCn2cc[nH+]c2)c1=O ZINC000061752191 188302641 /nfs/dbraw/zinc/30/26/41/188302641.db2.gz ZXFSOUJWKMQUFO-UHFFFAOYSA-N 1 2 247.302 0.869 20 0 BCADLO C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)C(N)=O ZINC000073118128 188307313 /nfs/dbraw/zinc/30/73/13/188307313.db2.gz GTHMEOLFCGAMTI-ONGXEEELSA-N 1 2 249.314 0.279 20 0 BCADLO C[N@H+](Cc1ccccn1)Cc1cnc(N)nc1N ZINC000639040988 353319340 /nfs/dbraw/zinc/31/93/40/353319340.db2.gz FRDSSPIZCMITFX-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO C[N@@H+](Cc1ccccn1)Cc1cnc(N)nc1N ZINC000639040988 353319341 /nfs/dbraw/zinc/31/93/41/353319341.db2.gz FRDSSPIZCMITFX-UHFFFAOYSA-N 1 2 244.302 0.329 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000336120870 535226735 /nfs/dbraw/zinc/22/67/35/535226735.db2.gz MYUKFEGZIWVWGJ-WDEREUQCSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000336120870 535226738 /nfs/dbraw/zinc/22/67/38/535226738.db2.gz MYUKFEGZIWVWGJ-WDEREUQCSA-N 1 2 238.331 0.907 20 0 BCADLO CO[C@H](C[NH2+]CC(F)(F)CO)[C@@H]1CCOC1 ZINC000639055608 353358790 /nfs/dbraw/zinc/35/87/90/353358790.db2.gz VCIAILQMWVUIMK-RKDXNWHRSA-N 1 2 239.262 0.255 20 0 BCADLO Cc1cnn(CC(=O)NCc2[nH+]ccn2C)c1 ZINC000343286357 353360086 /nfs/dbraw/zinc/36/00/86/353360086.db2.gz MFGSQZYQIIKSTD-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO CC[C@](C)(C[N@@H+]1CCn2ncnc2C1)OC ZINC000639057877 353363811 /nfs/dbraw/zinc/36/38/11/353363811.db2.gz XBEBTHYRIKGACB-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@](C)(C[N@H+]1CCn2ncnc2C1)OC ZINC000639057877 353363812 /nfs/dbraw/zinc/36/38/12/353363812.db2.gz XBEBTHYRIKGACB-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000128056628 188330815 /nfs/dbraw/zinc/33/08/15/188330815.db2.gz DGVGPZPPHQAYOP-UHFFFAOYSA-N 1 2 226.276 0.468 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000128056628 188330817 /nfs/dbraw/zinc/33/08/17/188330817.db2.gz DGVGPZPPHQAYOP-UHFFFAOYSA-N 1 2 226.276 0.468 20 0 BCADLO Cc1cc(N[C@@H]2CCCCNC2=O)nc[nH+]1 ZINC000301231654 188336425 /nfs/dbraw/zinc/33/64/25/188336425.db2.gz HZEQBRDAWKELRX-SECBINFHSA-N 1 2 220.276 0.866 20 0 BCADLO CC(C)[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267782662 188373890 /nfs/dbraw/zinc/37/38/90/188373890.db2.gz NSFZZYIUCHHCJN-VIFPVBQESA-N 1 2 236.275 0.497 20 0 BCADLO CC(=O)CCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000337484571 188362505 /nfs/dbraw/zinc/36/25/05/188362505.db2.gz BEDODYDIDAQUOT-SECBINFHSA-N 1 2 235.287 0.752 20 0 BCADLO CC(=O)CCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000337484571 188362507 /nfs/dbraw/zinc/36/25/07/188362507.db2.gz BEDODYDIDAQUOT-SECBINFHSA-N 1 2 235.287 0.752 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000339015820 188367684 /nfs/dbraw/zinc/36/76/84/188367684.db2.gz WUWZJEIVXVXSSQ-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000339015820 188367685 /nfs/dbraw/zinc/36/76/85/188367685.db2.gz WUWZJEIVXVXSSQ-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000264704631 188371519 /nfs/dbraw/zinc/37/15/19/188371519.db2.gz DQMJFOXUCMVSLK-NSHDSACASA-N 1 2 225.336 0.315 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000264704631 188371521 /nfs/dbraw/zinc/37/15/21/188371521.db2.gz DQMJFOXUCMVSLK-NSHDSACASA-N 1 2 225.336 0.315 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccccn2)C1 ZINC000291487234 188390196 /nfs/dbraw/zinc/39/01/96/188390196.db2.gz SAFDVBORJBLOLK-UHFFFAOYSA-N 1 2 205.261 0.402 20 0 BCADLO CC[N@H+](CCO)Cc1cn(C(C)(C)C)nn1 ZINC000191163473 353442577 /nfs/dbraw/zinc/44/25/77/353442577.db2.gz FKIRTYGXEGXSPS-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CC[N@@H+](CCO)Cc1cn(C(C)(C)C)nn1 ZINC000191163473 353442580 /nfs/dbraw/zinc/44/25/80/353442580.db2.gz FKIRTYGXEGXSPS-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CC(C)(O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000275014915 188378976 /nfs/dbraw/zinc/37/89/76/188378976.db2.gz YXVJPIVJHICNSA-UHFFFAOYSA-N 1 2 240.307 0.343 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279213383 188382486 /nfs/dbraw/zinc/38/24/86/188382486.db2.gz OELQDZPYYUMQAK-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340658874 188397388 /nfs/dbraw/zinc/39/73/88/188397388.db2.gz DFBVOGBAKSTNQU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340658874 188397390 /nfs/dbraw/zinc/39/73/90/188397390.db2.gz DFBVOGBAKSTNQU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000639096547 353487652 /nfs/dbraw/zinc/48/76/52/353487652.db2.gz HCZDVJARTNXLQB-SECBINFHSA-N 1 2 225.292 0.939 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000230350862 353489367 /nfs/dbraw/zinc/48/93/67/353489367.db2.gz SJNPWXYSXDLANT-UHFFFAOYSA-N 1 2 238.291 0.200 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](F)C2)C1 ZINC000334510427 353458250 /nfs/dbraw/zinc/45/82/50/353458250.db2.gz LEXRENMHCUGYLG-VHSXEESVSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](F)C2)C1 ZINC000334510427 353458256 /nfs/dbraw/zinc/45/82/56/353458256.db2.gz LEXRENMHCUGYLG-VHSXEESVSA-N 1 2 245.298 0.070 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@@H+]1CC(=O)NC1CC1 ZINC000348555291 535233273 /nfs/dbraw/zinc/23/32/73/535233273.db2.gz UNVWJTJKOILGFU-GFCCVEGCSA-N 1 2 239.363 0.537 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@H+]1CC(=O)NC1CC1 ZINC000348555291 535233281 /nfs/dbraw/zinc/23/32/81/535233281.db2.gz UNVWJTJKOILGFU-GFCCVEGCSA-N 1 2 239.363 0.537 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCC(C)CC1 ZINC000191733681 353507619 /nfs/dbraw/zinc/50/76/19/353507619.db2.gz KDGBBHYHXPGIEY-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCC(C)CC1 ZINC000191733681 353507621 /nfs/dbraw/zinc/50/76/21/353507621.db2.gz KDGBBHYHXPGIEY-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO Cc1cc(NCC(C)(CO)CO)c(C#N)c[nH+]1 ZINC000399000317 353548999 /nfs/dbraw/zinc/54/89/99/353548999.db2.gz RYBKXAUXOSGFNM-UHFFFAOYSA-N 1 2 235.287 0.086 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192700238 353562924 /nfs/dbraw/zinc/56/29/24/353562924.db2.gz FZUIBPHGVLNWKH-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192700238 353562927 /nfs/dbraw/zinc/56/29/27/353562927.db2.gz FZUIBPHGVLNWKH-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO CC[N@H+](CC(N)=O)[C@H]1CCCN(C(C)C)C1=O ZINC000192810560 353570416 /nfs/dbraw/zinc/57/04/16/353570416.db2.gz GMXLCDAWUPFFCW-JTQLQIEISA-N 1 2 241.335 0.193 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@H]1CCCN(C(C)C)C1=O ZINC000192810560 353570420 /nfs/dbraw/zinc/57/04/20/353570420.db2.gz GMXLCDAWUPFFCW-JTQLQIEISA-N 1 2 241.335 0.193 20 0 BCADLO CC(C)[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412422128 191283677 /nfs/dbraw/zinc/28/36/77/191283677.db2.gz JKZRKTONTKKOEK-UTUOFQBUSA-N 1 2 240.347 0.820 20 0 BCADLO CC(C)[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412422128 191283680 /nfs/dbraw/zinc/28/36/80/191283680.db2.gz JKZRKTONTKKOEK-UTUOFQBUSA-N 1 2 240.347 0.820 20 0 BCADLO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(N)=O ZINC000639108987 353659608 /nfs/dbraw/zinc/65/96/08/353659608.db2.gz OISAFRNXDHOELY-ZCFIWIBFSA-N 1 2 237.234 0.930 20 0 BCADLO CCOC[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000194439644 353661596 /nfs/dbraw/zinc/66/15/96/353661596.db2.gz IRHJTIQQLLUZAD-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CCOC[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194439644 353661600 /nfs/dbraw/zinc/66/16/00/353661600.db2.gz IRHJTIQQLLUZAD-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000393832870 353673935 /nfs/dbraw/zinc/67/39/35/353673935.db2.gz NRXNOUPTAFYLEZ-VIFPVBQESA-N 1 2 237.307 0.179 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000393832869 353673942 /nfs/dbraw/zinc/67/39/42/353673942.db2.gz NRXNOUPTAFYLEZ-SECBINFHSA-N 1 2 237.307 0.179 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000194741056 353694464 /nfs/dbraw/zinc/69/44/64/353694464.db2.gz DPRCMCFRXNESRS-ZETCQYMHSA-N 1 2 235.243 0.165 20 0 BCADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194919713 353710045 /nfs/dbraw/zinc/71/00/45/353710045.db2.gz FFUXMZSDCQWYQK-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194919713 353710048 /nfs/dbraw/zinc/71/00/48/353710048.db2.gz FFUXMZSDCQWYQK-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]([NH2+]C[C@H](C)COC)C(=O)OC ZINC000308954269 353726391 /nfs/dbraw/zinc/72/63/91/353726391.db2.gz QATIOLMPEVVRAM-DTWKUNHWSA-N 1 2 219.281 0.047 20 0 BCADLO Cc1nnccc1NC(=O)NCc1c[nH+]cn1C ZINC000577920402 366102059 /nfs/dbraw/zinc/10/20/59/366102059.db2.gz PGQGBEGOXUQZGC-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO CO[C@]1(CNc2ccc(CO)c[nH+]2)CCOC1 ZINC000639132619 353842030 /nfs/dbraw/zinc/84/20/30/353842030.db2.gz RKEOUETYFNSLMO-LBPRGKRZSA-N 1 2 238.287 0.791 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(F)C1 ZINC000613446731 363268410 /nfs/dbraw/zinc/26/84/10/363268410.db2.gz VLURKMRIKWOKSH-SSDOTTSWSA-N 1 2 223.251 0.695 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(F)C1 ZINC000613446731 363268413 /nfs/dbraw/zinc/26/84/13/363268413.db2.gz VLURKMRIKWOKSH-SSDOTTSWSA-N 1 2 223.251 0.695 20 0 BCADLO CCC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC000343397854 353877194 /nfs/dbraw/zinc/87/71/94/353877194.db2.gz CHHSMSFLCUIILF-MRVPVSSYSA-N 1 2 238.291 0.031 20 0 BCADLO CCC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(N)=O ZINC000343397854 353877195 /nfs/dbraw/zinc/87/71/95/353877195.db2.gz CHHSMSFLCUIILF-MRVPVSSYSA-N 1 2 238.291 0.031 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000343430342 353883875 /nfs/dbraw/zinc/88/38/75/353883875.db2.gz BMPDPEKXGIIHFW-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](O)C1 ZINC000343430342 353883877 /nfs/dbraw/zinc/88/38/77/353883877.db2.gz BMPDPEKXGIIHFW-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1nccc1NC(=O)NCc1[nH+]ccn1C ZINC000343526308 353928258 /nfs/dbraw/zinc/92/82/58/353928258.db2.gz QKFKYSKTOIFJSZ-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO CCC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC000343482131 353904561 /nfs/dbraw/zinc/90/45/61/353904561.db2.gz SZXQVSAIGCJQPK-QMMMGPOBSA-N 1 2 238.291 0.113 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000334543465 353978789 /nfs/dbraw/zinc/97/87/89/353978789.db2.gz PWBZGXWTUJZCDR-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000334543465 353978791 /nfs/dbraw/zinc/97/87/91/353978791.db2.gz PWBZGXWTUJZCDR-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1cncnc1 ZINC000343770207 353983373 /nfs/dbraw/zinc/98/33/73/353983373.db2.gz XIKQIVVGQAPXEX-UHFFFAOYSA-N 1 2 232.247 0.532 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334546534 353984210 /nfs/dbraw/zinc/98/42/10/353984210.db2.gz CQBJJXGGRVVADA-NWDGAFQWSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334546534 353984214 /nfs/dbraw/zinc/98/42/14/353984214.db2.gz CQBJJXGGRVVADA-NWDGAFQWSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334546535 353984453 /nfs/dbraw/zinc/98/44/53/353984453.db2.gz CQBJJXGGRVVADA-RYUDHWBXSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334546535 353984454 /nfs/dbraw/zinc/98/44/54/353984454.db2.gz CQBJJXGGRVVADA-RYUDHWBXSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCSC[C@@H]2CO)n1 ZINC000343727235 353960155 /nfs/dbraw/zinc/96/01/55/353960155.db2.gz ILYIBKARDDJMHA-JTQLQIEISA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ccnc(C[N@H+]2CCSC[C@@H]2CO)n1 ZINC000343727235 353960157 /nfs/dbraw/zinc/96/01/57/353960157.db2.gz ILYIBKARDDJMHA-JTQLQIEISA-N 1 2 239.344 0.695 20 0 BCADLO CN1CC[N@H+](CCc2cncs2)CC1=O ZINC000334557414 354004415 /nfs/dbraw/zinc/00/44/15/354004415.db2.gz FTHANVGXIZIXOM-UHFFFAOYSA-N 1 2 225.317 0.460 20 0 BCADLO CN1CC[N@@H+](CCc2cncs2)CC1=O ZINC000334557414 354004418 /nfs/dbraw/zinc/00/44/18/354004418.db2.gz FTHANVGXIZIXOM-UHFFFAOYSA-N 1 2 225.317 0.460 20 0 BCADLO CC[C@H](CCO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000343816775 354012901 /nfs/dbraw/zinc/01/29/01/354012901.db2.gz UBORUNGBLDWZRY-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCOC1 ZINC000343868881 354027544 /nfs/dbraw/zinc/02/75/44/354027544.db2.gz BFRXXOLVSAWXGV-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCn2ncnc2C1 ZINC000343876365 354029991 /nfs/dbraw/zinc/02/99/91/354029991.db2.gz YWCOINQLMKHZRC-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@H+]1CCn2ncnc2C1 ZINC000343876365 354029992 /nfs/dbraw/zinc/02/99/92/354029992.db2.gz YWCOINQLMKHZRC-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000343947713 354068853 /nfs/dbraw/zinc/06/88/53/354068853.db2.gz VGAQWQOTQNIEPV-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000343947713 354068856 /nfs/dbraw/zinc/06/88/56/354068856.db2.gz VGAQWQOTQNIEPV-GMSGAONNSA-N 1 2 237.246 0.640 20 0 BCADLO CC(C)c1nc(N(C)CCC(N)=O)cc[nH+]1 ZINC000343927700 354044722 /nfs/dbraw/zinc/04/47/22/354044722.db2.gz PYGQGPMPAMWLLC-UHFFFAOYSA-N 1 2 222.292 0.912 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](C)O ZINC000334566975 354089017 /nfs/dbraw/zinc/08/90/17/354089017.db2.gz RWABDYATIRCYBE-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)O ZINC000334566975 354089019 /nfs/dbraw/zinc/08/90/19/354089019.db2.gz RWABDYATIRCYBE-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000334569608 354095562 /nfs/dbraw/zinc/09/55/62/354095562.db2.gz VWPRTPCZXZTCFC-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO CN(C)S(=O)(=O)CCNc1cccc[nH+]1 ZINC000231008817 363334665 /nfs/dbraw/zinc/33/46/65/363334665.db2.gz VZMDMKZIKIIXJU-UHFFFAOYSA-N 1 2 229.305 0.385 20 0 BCADLO CCOC(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000344172772 354172462 /nfs/dbraw/zinc/17/24/62/354172462.db2.gz DPZALVXVSGMPGL-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO COCCOCC[N@H+](C)[C@@H](C)c1nncn1C ZINC000344122169 354144464 /nfs/dbraw/zinc/14/44/64/354144464.db2.gz PVXKCPZOPNZQIH-JTQLQIEISA-N 1 2 242.323 0.471 20 0 BCADLO COCCOCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000344122169 354144468 /nfs/dbraw/zinc/14/44/68/354144468.db2.gz PVXKCPZOPNZQIH-JTQLQIEISA-N 1 2 242.323 0.471 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H](C3CC3)C2)n1 ZINC000344152808 354156591 /nfs/dbraw/zinc/15/65/91/354156591.db2.gz WXIMDILCEDVIPP-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H](C3CC3)C2)n1 ZINC000344152808 354156595 /nfs/dbraw/zinc/15/65/95/354156595.db2.gz WXIMDILCEDVIPP-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@@H](O)C1 ZINC000344202230 354162353 /nfs/dbraw/zinc/16/23/53/354162353.db2.gz NPBJRVIZXXEBCA-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344248079 354189938 /nfs/dbraw/zinc/18/99/38/354189938.db2.gz QSOLHLYYYOBWOW-HTQZYQBOSA-N 1 2 223.276 0.418 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344248079 354189943 /nfs/dbraw/zinc/18/99/43/354189943.db2.gz QSOLHLYYYOBWOW-HTQZYQBOSA-N 1 2 223.276 0.418 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344262355 354192754 /nfs/dbraw/zinc/19/27/54/354192754.db2.gz RAVYVHBSLLFPKD-LDYMZIIASA-N 1 2 237.303 0.808 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344262355 354192759 /nfs/dbraw/zinc/19/27/59/354192759.db2.gz RAVYVHBSLLFPKD-LDYMZIIASA-N 1 2 237.303 0.808 20 0 BCADLO CCC[C@@]1(CO)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000344272188 354196207 /nfs/dbraw/zinc/19/62/07/354196207.db2.gz CHFIKJBEICAUCJ-LLVKDONJSA-N 1 2 240.307 0.495 20 0 BCADLO CCC[C@@]1(CO)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000344272188 354196210 /nfs/dbraw/zinc/19/62/10/354196210.db2.gz CHFIKJBEICAUCJ-LLVKDONJSA-N 1 2 240.307 0.495 20 0 BCADLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CC(N)=O ZINC000344466274 354266294 /nfs/dbraw/zinc/26/62/94/354266294.db2.gz QGFOXYSSPPAPII-SNVBAGLBSA-N 1 2 249.314 0.455 20 0 BCADLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CC(N)=O ZINC000344466274 354266296 /nfs/dbraw/zinc/26/62/96/354266296.db2.gz QGFOXYSSPPAPII-SNVBAGLBSA-N 1 2 249.314 0.455 20 0 BCADLO Cc1ncc(C[NH2+]Cc2nccn2C)c(=O)[nH]1 ZINC000344330546 354227080 /nfs/dbraw/zinc/22/70/80/354227080.db2.gz VMLPREFNXQSVAF-UHFFFAOYSA-N 1 2 233.275 0.514 20 0 BCADLO COCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000053258573 358485508 /nfs/dbraw/zinc/48/55/08/358485508.db2.gz NCNYDTQKTQBAGT-QMMMGPOBSA-N 1 2 203.282 0.810 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000334605903 354312485 /nfs/dbraw/zinc/31/24/85/354312485.db2.gz YJOWHOHDJXOSOE-SSDOTTSWSA-N 1 2 237.225 0.648 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000334605903 354312487 /nfs/dbraw/zinc/31/24/87/354312487.db2.gz YJOWHOHDJXOSOE-SSDOTTSWSA-N 1 2 237.225 0.648 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](F)C[C@@H]2C(N)=O)n1C ZINC000344509253 354291478 /nfs/dbraw/zinc/29/14/78/354291478.db2.gz GQCUFIGWHCMBRY-RKDXNWHRSA-N 1 2 240.282 0.126 20 0 BCADLO C[C@H]1CSCCN1C(=O)Cc1c[nH+]cn1C ZINC000577973879 366154219 /nfs/dbraw/zinc/15/42/19/366154219.db2.gz BPWXXNZJUGDDFK-VIFPVBQESA-N 1 2 239.344 0.927 20 0 BCADLO CO[C@@]1(C[N@H+](C)Cc2nncn2C)CCOC1 ZINC000639182070 354318890 /nfs/dbraw/zinc/31/88/90/354318890.db2.gz DBMTWCYRSUFBFC-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO CO[C@@]1(C[N@@H+](C)Cc2nncn2C)CCOC1 ZINC000639182070 354318893 /nfs/dbraw/zinc/31/88/93/354318893.db2.gz DBMTWCYRSUFBFC-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO CN(C)c1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000366873438 354336414 /nfs/dbraw/zinc/33/64/14/354336414.db2.gz ZIKPAFBJFJVCOT-MRVPVSSYSA-N 1 2 238.291 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000366873438 354336416 /nfs/dbraw/zinc/33/64/16/354336416.db2.gz ZIKPAFBJFJVCOT-MRVPVSSYSA-N 1 2 238.291 0.092 20 0 BCADLO Cc1ccc(=O)n(Cc2c[nH+]cn2C)n1 ZINC000344723652 354344875 /nfs/dbraw/zinc/34/48/75/354344875.db2.gz LBGKYKKUBQTOMP-UHFFFAOYSA-N 1 2 204.233 0.334 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCS(=O)(=O)C1 ZINC000577990614 366161200 /nfs/dbraw/zinc/16/12/00/366161200.db2.gz YHASCIKYYOVVIG-SECBINFHSA-N 1 2 241.316 0.692 20 0 BCADLO CCN(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000344770868 354359003 /nfs/dbraw/zinc/35/90/03/354359003.db2.gz XNHLUZDGKUUHTI-LLVKDONJSA-N 1 2 243.351 0.711 20 0 BCADLO CCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000344757367 354351565 /nfs/dbraw/zinc/35/15/65/354351565.db2.gz XCRYQTVQRUQZEC-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO O=C([C@@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000334641693 354397049 /nfs/dbraw/zinc/39/70/49/354397049.db2.gz HBAPSCBXSBZCLO-JTQLQIEISA-N 1 2 235.287 0.794 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1C[C@@H]1C(F)F ZINC000345019913 354397296 /nfs/dbraw/zinc/39/72/96/354397296.db2.gz TZUQXHYVNYSPST-BQBZGAKWSA-N 1 2 244.245 0.873 20 0 BCADLO CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000334646711 354436982 /nfs/dbraw/zinc/43/69/82/354436982.db2.gz SBBLBPPCKCVHNT-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000334646711 354436983 /nfs/dbraw/zinc/43/69/83/354436983.db2.gz SBBLBPPCKCVHNT-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H](C(=O)N1CC[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000334671615 354413164 /nfs/dbraw/zinc/41/31/64/354413164.db2.gz WHAZVCNGHQRWCB-JQWIXIFHSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)O ZINC000334735038 354536073 /nfs/dbraw/zinc/53/60/73/354536073.db2.gz RWABDYATIRCYBE-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)O ZINC000334735038 354536075 /nfs/dbraw/zinc/53/60/75/354536075.db2.gz RWABDYATIRCYBE-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO O=C(NC1CC1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334737790 354540255 /nfs/dbraw/zinc/54/02/55/354540255.db2.gz DDBRZJRONUFRIU-VIFPVBQESA-N 1 2 248.286 0.352 20 0 BCADLO CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000334722406 354522155 /nfs/dbraw/zinc/52/21/55/354522155.db2.gz MDQOGCPHKNUBRH-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CN(C)C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000334813869 354571038 /nfs/dbraw/zinc/57/10/38/354571038.db2.gz JNIGZPQHFBJVNQ-UHFFFAOYSA-N 1 2 237.307 0.209 20 0 BCADLO CN(C)C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000334813869 354571040 /nfs/dbraw/zinc/57/10/40/354571040.db2.gz JNIGZPQHFBJVNQ-UHFFFAOYSA-N 1 2 237.307 0.209 20 0 BCADLO Cc1occc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000334847309 354595268 /nfs/dbraw/zinc/59/52/68/354595268.db2.gz HUFQHIYRNAWWED-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1occc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000334847309 354595269 /nfs/dbraw/zinc/59/52/69/354595269.db2.gz HUFQHIYRNAWWED-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000335093437 354630152 /nfs/dbraw/zinc/63/01/52/354630152.db2.gz OWRMYNAYQDSHTP-OIBJUYFYSA-N 1 2 211.240 0.784 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000345478245 354664866 /nfs/dbraw/zinc/66/48/66/354664866.db2.gz CMZHRSJQMBCUFP-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CCOCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345391631 354648473 /nfs/dbraw/zinc/64/84/73/354648473.db2.gz DBONVCZIOBXWQR-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC(C)OCCC(=O)Nc1cc[nH+]cc1O ZINC000345375177 354656089 /nfs/dbraw/zinc/65/60/89/354656089.db2.gz BZRFQRSDELRGRJ-UHFFFAOYSA-N 1 2 224.260 0.963 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cnn1 ZINC000345580428 354703726 /nfs/dbraw/zinc/70/37/26/354703726.db2.gz BEJMCYWXVNLNBY-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C(F)F ZINC000345772648 354758156 /nfs/dbraw/zinc/75/81/56/354758156.db2.gz AKNGKEHGFXLUAG-IWSPIJDZSA-N 1 2 248.273 0.477 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C(F)F ZINC000345772648 354758158 /nfs/dbraw/zinc/75/81/58/354758158.db2.gz AKNGKEHGFXLUAG-IWSPIJDZSA-N 1 2 248.273 0.477 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC1 ZINC000345819393 354787968 /nfs/dbraw/zinc/78/79/68/354787968.db2.gz PQGVISBMANTRPW-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H]2O)cc[nH+]1 ZINC000335137979 354788881 /nfs/dbraw/zinc/78/88/81/354788881.db2.gz JQAGAOAQKYILNA-NXEZZACHSA-N 1 2 221.260 0.457 20 0 BCADLO CCC(=O)CCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000232844359 363386035 /nfs/dbraw/zinc/38/60/35/363386035.db2.gz KUHRFBQTWZJKSA-JTQLQIEISA-N 1 2 247.360 0.865 20 0 BCADLO CCC(=O)CCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000232844359 363386040 /nfs/dbraw/zinc/38/60/40/363386040.db2.gz KUHRFBQTWZJKSA-JTQLQIEISA-N 1 2 247.360 0.865 20 0 BCADLO CCNC(=O)CNc1nc[nH+]c(N)c1Cl ZINC000233490378 363404000 /nfs/dbraw/zinc/40/40/00/363404000.db2.gz KBMRHQVHIVWKGC-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO CCNC(=O)CNc1[nH+]cnc(N)c1Cl ZINC000233490378 363404004 /nfs/dbraw/zinc/40/40/04/363404004.db2.gz KBMRHQVHIVWKGC-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO O=C(NCc1ccc[nH]1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000366924856 354834794 /nfs/dbraw/zinc/83/47/94/354834794.db2.gz JOYCWAJQXNUGRB-QMMMGPOBSA-N 1 2 229.230 0.628 20 0 BCADLO O=C(NCCc1ccc[nH]1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000366926466 354835377 /nfs/dbraw/zinc/83/53/77/354835377.db2.gz QUTXGOBPJSSPMV-VIFPVBQESA-N 1 2 243.257 0.671 20 0 BCADLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCCO ZINC000346057603 354848846 /nfs/dbraw/zinc/84/88/46/354848846.db2.gz IFCIPXLFOORHAE-IUCAKERBSA-N 1 2 218.272 0.047 20 0 BCADLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCCO ZINC000346057603 354848850 /nfs/dbraw/zinc/84/88/50/354848850.db2.gz IFCIPXLFOORHAE-IUCAKERBSA-N 1 2 218.272 0.047 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)O)C1CC1 ZINC000234564020 363424689 /nfs/dbraw/zinc/42/46/89/363424689.db2.gz QRNFCXLMUXDQHR-VXNVDRBHSA-N 1 2 201.266 0.299 20 0 BCADLO CCOC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000233656066 363404748 /nfs/dbraw/zinc/40/47/48/363404748.db2.gz BYAFIBGIEDFQFP-WPRPVWTQSA-N 1 2 201.266 0.707 20 0 BCADLO CCOC[C@H]([NH2+]CC(=O)OC)C(C)C ZINC000233771208 363406857 /nfs/dbraw/zinc/40/68/57/363406857.db2.gz CSCOAOIHQKAXDE-VIFPVBQESA-N 1 2 203.282 0.810 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233739805 363407654 /nfs/dbraw/zinc/40/76/54/363407654.db2.gz PBBJBQGJDLCFQC-SCZZXKLOSA-N 1 2 215.293 0.953 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000346392089 354908726 /nfs/dbraw/zinc/90/87/26/354908726.db2.gz ZOXFBDBQTDWYJM-KOLCDFICSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000346392089 354908729 /nfs/dbraw/zinc/90/87/29/354908729.db2.gz ZOXFBDBQTDWYJM-KOLCDFICSA-N 1 2 240.278 0.995 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC(C)(C)C)C1 ZINC000346423112 354925094 /nfs/dbraw/zinc/92/50/94/354925094.db2.gz ZKZNLMIBWVCLSF-LLVKDONJSA-N 1 2 241.379 0.785 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC(C)(C)C)C1 ZINC000346423112 354925097 /nfs/dbraw/zinc/92/50/97/354925097.db2.gz ZKZNLMIBWVCLSF-LLVKDONJSA-N 1 2 241.379 0.785 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CCC1 ZINC000346496686 354960481 /nfs/dbraw/zinc/96/04/81/354960481.db2.gz MXLUDLIMMRUCHQ-UHFFFAOYSA-N 1 2 223.276 0.292 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(O)CCC1 ZINC000346496686 354960484 /nfs/dbraw/zinc/96/04/84/354960484.db2.gz MXLUDLIMMRUCHQ-UHFFFAOYSA-N 1 2 223.276 0.292 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)c1cnc[nH]1 ZINC000346544366 354982384 /nfs/dbraw/zinc/98/23/84/354982384.db2.gz JWTJCBUKCYELRG-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccno2)c[nH+]1 ZINC000335964684 134027789 /nfs/dbraw/zinc/02/77/89/134027789.db2.gz HTMBOQXFGMZHNO-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)n1 ZINC000346649555 355018998 /nfs/dbraw/zinc/01/89/98/355018998.db2.gz VCQBUIZGAPMPFN-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)n1 ZINC000346649555 355019000 /nfs/dbraw/zinc/01/90/00/355019000.db2.gz VCQBUIZGAPMPFN-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335192517 355025406 /nfs/dbraw/zinc/02/54/06/355025406.db2.gz JGAXJLSCZJNRQV-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335192517 355025409 /nfs/dbraw/zinc/02/54/09/355025409.db2.gz JGAXJLSCZJNRQV-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)(C)N1CC[C@@H]([NH+]2CCOCC2)C1=O ZINC000335230762 355073189 /nfs/dbraw/zinc/07/31/89/355073189.db2.gz NCTJGNBVAGKDNW-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335187759 355086855 /nfs/dbraw/zinc/08/68/55/355086855.db2.gz ZBUSYNUDSXHWHG-JDNHERCYSA-N 1 2 241.360 0.919 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335187759 355086859 /nfs/dbraw/zinc/08/68/59/355086859.db2.gz ZBUSYNUDSXHWHG-JDNHERCYSA-N 1 2 241.360 0.919 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC(=O)N2CCC2)CCN1C ZINC000335188020 355087133 /nfs/dbraw/zinc/08/71/33/355087133.db2.gz CLQDYTKPSGGQEL-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)N2CCC2)CCN1C ZINC000335188020 355087137 /nfs/dbraw/zinc/08/71/37/355087137.db2.gz CLQDYTKPSGGQEL-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccccc1 ZINC000346713330 355102654 /nfs/dbraw/zinc/10/26/54/355102654.db2.gz PFEIIQBCCQCSBQ-UHFFFAOYSA-N 1 2 240.328 0.671 20 0 BCADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000335247010 355162636 /nfs/dbraw/zinc/16/26/36/355162636.db2.gz UVVVZBPUVFUNIB-ZYHUDNBSSA-N 1 2 226.320 0.969 20 0 BCADLO CC(C)C[N@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000335247010 355162640 /nfs/dbraw/zinc/16/26/40/355162640.db2.gz UVVVZBPUVFUNIB-ZYHUDNBSSA-N 1 2 226.320 0.969 20 0 BCADLO CSCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346956533 355167000 /nfs/dbraw/zinc/16/70/00/355167000.db2.gz OKRJKTOJJKYMOM-JTQLQIEISA-N 1 2 246.376 0.529 20 0 BCADLO CSCCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000346956533 355167004 /nfs/dbraw/zinc/16/70/04/355167004.db2.gz OKRJKTOJJKYMOM-JTQLQIEISA-N 1 2 246.376 0.529 20 0 BCADLO CSCCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000346956535 355168223 /nfs/dbraw/zinc/16/82/23/355168223.db2.gz OKRJKTOJJKYMOM-SNVBAGLBSA-N 1 2 246.376 0.529 20 0 BCADLO CSCCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000346956535 355168226 /nfs/dbraw/zinc/16/82/26/355168226.db2.gz OKRJKTOJJKYMOM-SNVBAGLBSA-N 1 2 246.376 0.529 20 0 BCADLO CC(=O)CCCC(=O)NCc1[nH+]ccn1C ZINC000352003446 134034455 /nfs/dbraw/zinc/03/44/55/134034455.db2.gz QSADXPFUZPQRNJ-UHFFFAOYSA-N 1 2 223.276 0.796 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)CO ZINC000346848254 355136676 /nfs/dbraw/zinc/13/66/76/355136676.db2.gz PZWRNCUOMYQEGT-JGVFFNPUSA-N 1 2 225.292 0.394 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@@H](C)CO ZINC000346848254 355136677 /nfs/dbraw/zinc/13/66/77/355136677.db2.gz PZWRNCUOMYQEGT-JGVFFNPUSA-N 1 2 225.292 0.394 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)nc1 ZINC000346961866 355170684 /nfs/dbraw/zinc/17/06/84/355170684.db2.gz ABUIXNIARYOIBP-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)nc1 ZINC000346961866 355170688 /nfs/dbraw/zinc/17/06/88/355170688.db2.gz ABUIXNIARYOIBP-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO COC[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413139794 191359160 /nfs/dbraw/zinc/35/91/60/191359160.db2.gz FPNRAZJODLQJNA-SECBINFHSA-N 1 2 238.291 0.470 20 0 BCADLO COC[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413139794 191359163 /nfs/dbraw/zinc/35/91/63/191359163.db2.gz FPNRAZJODLQJNA-SECBINFHSA-N 1 2 238.291 0.470 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)OC)CCO1 ZINC000347612301 355234676 /nfs/dbraw/zinc/23/46/76/355234676.db2.gz QIPVLYWMIKEPGQ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)OC)CCO1 ZINC000347612301 355234678 /nfs/dbraw/zinc/23/46/78/355234678.db2.gz QIPVLYWMIKEPGQ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC000347628406 355240454 /nfs/dbraw/zinc/24/04/54/355240454.db2.gz MMACKQOXVWKRAI-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC000347628406 355240458 /nfs/dbraw/zinc/24/04/58/355240458.db2.gz MMACKQOXVWKRAI-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@](C)(C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244793 355249265 /nfs/dbraw/zinc/24/92/65/355249265.db2.gz QUFCYUGEEUNCGZ-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CN(C)C(=O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413026269 191343428 /nfs/dbraw/zinc/34/34/28/191343428.db2.gz JAGYLBLINZIBHR-UHFFFAOYSA-N 1 2 235.291 0.551 20 0 BCADLO CN(C)C(=O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413026269 191343430 /nfs/dbraw/zinc/34/34/30/191343430.db2.gz JAGYLBLINZIBHR-UHFFFAOYSA-N 1 2 235.291 0.551 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCC[C@H](O)C2)nn1 ZINC000347629608 355240977 /nfs/dbraw/zinc/24/09/77/355240977.db2.gz CKOSEYBNRVQAOE-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCC[C@H](O)C2)nn1 ZINC000347629608 355240981 /nfs/dbraw/zinc/24/09/81/355240981.db2.gz CKOSEYBNRVQAOE-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO OC1(C(F)F)C[NH+](CC2(O)CCCC2)C1 ZINC000335280960 355243854 /nfs/dbraw/zinc/24/38/54/355243854.db2.gz LKISDOIJYBBOMN-UHFFFAOYSA-N 1 2 221.247 0.603 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H](CO)[C@@H](C)O)[nH+]1 ZINC000413449136 191384859 /nfs/dbraw/zinc/38/48/59/191384859.db2.gz KFCZFJXTJLINRK-HZGVNTEJSA-N 1 2 236.275 0.420 20 0 BCADLO COC[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413266341 191367788 /nfs/dbraw/zinc/36/77/88/191367788.db2.gz LWYBWOPCGCWEHU-SECBINFHSA-N 1 2 238.291 0.470 20 0 BCADLO COC[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413266341 191367792 /nfs/dbraw/zinc/36/77/92/191367792.db2.gz LWYBWOPCGCWEHU-SECBINFHSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@@H](O)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413298070 191369739 /nfs/dbraw/zinc/36/97/39/191369739.db2.gz FVHXTYHWQRZAPA-MRVPVSSYSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@@H](O)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413298070 191369742 /nfs/dbraw/zinc/36/97/42/191369742.db2.gz FVHXTYHWQRZAPA-MRVPVSSYSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@H](O)CNc1cc(N2CC[C@H](F)C2)nc[nH+]1 ZINC000413322850 191372030 /nfs/dbraw/zinc/37/20/30/191372030.db2.gz HOKXEMZRNINZHY-IUCAKERBSA-N 1 2 240.282 0.818 20 0 BCADLO C[C@H](O)CNc1cc(N2CC[C@H](F)C2)[nH+]cn1 ZINC000413322850 191372032 /nfs/dbraw/zinc/37/20/32/191372032.db2.gz HOKXEMZRNINZHY-IUCAKERBSA-N 1 2 240.282 0.818 20 0 BCADLO Cn1c[nH+]c(CCN=c2ncnc3[nH][nH]cc2-3)c1 ZINC000413386811 191378599 /nfs/dbraw/zinc/37/85/99/191378599.db2.gz VQHZCIORDHIAGA-UHFFFAOYSA-N 1 2 243.274 0.115 20 0 BCADLO Nc1ncc(C[NH+]2CC3(CC(F)C3)C2)c(N)n1 ZINC000639252668 355289784 /nfs/dbraw/zinc/28/97/84/355289784.db2.gz OYGQLVNDOUZTFP-UHFFFAOYSA-N 1 2 237.282 0.236 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnns1 ZINC000352016716 134036594 /nfs/dbraw/zinc/03/65/94/134036594.db2.gz ZFXQENPMTDYVSW-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cnns1 ZINC000352016716 134036595 /nfs/dbraw/zinc/03/65/95/134036595.db2.gz ZFXQENPMTDYVSW-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639259154 355308624 /nfs/dbraw/zinc/30/86/24/355308624.db2.gz SDNIAGVJIJLLQP-IUCAKERBSA-N 1 2 224.333 0.988 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639259154 355308627 /nfs/dbraw/zinc/30/86/27/355308627.db2.gz SDNIAGVJIJLLQP-IUCAKERBSA-N 1 2 224.333 0.988 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)o1 ZINC000639278631 355362708 /nfs/dbraw/zinc/36/27/08/355362708.db2.gz OGCUAXGXUBFJBK-QMMMGPOBSA-N 1 2 237.259 0.220 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000335779191 355406338 /nfs/dbraw/zinc/40/63/38/355406338.db2.gz VPIKKNUECMMZGJ-MRVPVSSYSA-N 1 2 242.348 0.436 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000335779191 355406341 /nfs/dbraw/zinc/40/63/41/355406341.db2.gz VPIKKNUECMMZGJ-MRVPVSSYSA-N 1 2 242.348 0.436 20 0 BCADLO CO[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000349746835 355422357 /nfs/dbraw/zinc/42/23/57/355422357.db2.gz QFNGQIZOXBXDQN-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3CC3)C[C@H]21 ZINC000335783891 355432143 /nfs/dbraw/zinc/43/21/43/355432143.db2.gz VWNQLWHYBWTXED-GHMZBOCLSA-N 1 2 239.319 0.121 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3CC3)C[C@H]21 ZINC000335783891 355432148 /nfs/dbraw/zinc/43/21/48/355432148.db2.gz VWNQLWHYBWTXED-GHMZBOCLSA-N 1 2 239.319 0.121 20 0 BCADLO Cc1ccc2c(c1)C[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC000335788384 355439479 /nfs/dbraw/zinc/43/94/79/355439479.db2.gz QGFPQWXGBULLDE-UHFFFAOYSA-N 1 2 244.298 0.933 20 0 BCADLO Cc1ccc2c(c1)C[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC000335788384 355439481 /nfs/dbraw/zinc/43/94/81/355439481.db2.gz QGFPQWXGBULLDE-UHFFFAOYSA-N 1 2 244.298 0.933 20 0 BCADLO CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335794437 355449636 /nfs/dbraw/zinc/44/96/36/355449636.db2.gz SEYBIBSKYMTMJI-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335794437 355449637 /nfs/dbraw/zinc/44/96/37/355449637.db2.gz SEYBIBSKYMTMJI-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335794435 355449720 /nfs/dbraw/zinc/44/97/20/355449720.db2.gz SEYBIBSKYMTMJI-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335794435 355449724 /nfs/dbraw/zinc/44/97/24/355449724.db2.gz SEYBIBSKYMTMJI-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO Cc1[nH]nc2ncc(C[N@H+](C)CC(N)=O)cc12 ZINC000349853948 355495017 /nfs/dbraw/zinc/49/50/17/355495017.db2.gz MUCAMINUAOPTBY-UHFFFAOYSA-N 1 2 233.275 0.183 20 0 BCADLO Cc1[nH]nc2ncc(C[N@@H+](C)CC(N)=O)cc12 ZINC000349853948 355495020 /nfs/dbraw/zinc/49/50/20/355495020.db2.gz MUCAMINUAOPTBY-UHFFFAOYSA-N 1 2 233.275 0.183 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@H]2CO)on1 ZINC000335806807 355478378 /nfs/dbraw/zinc/47/83/78/355478378.db2.gz WINPRIOXBRISGY-SECBINFHSA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@H]2CO)on1 ZINC000335806807 355478379 /nfs/dbraw/zinc/47/83/79/355478379.db2.gz WINPRIOXBRISGY-SECBINFHSA-N 1 2 228.317 0.893 20 0 BCADLO C[N@H+](CCCCO)Cc1nnnn1C(C)(C)C ZINC000349931772 355529769 /nfs/dbraw/zinc/52/97/69/355529769.db2.gz CCQIRMDOFRFIAU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO C[N@@H+](CCCCO)Cc1nnnn1C(C)(C)C ZINC000349931772 355529773 /nfs/dbraw/zinc/52/97/73/355529773.db2.gz CCQIRMDOFRFIAU-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO C[N@H+](Cc1cc(O)cc(F)c1)[C@H]1CCNC1=O ZINC000335821422 355539987 /nfs/dbraw/zinc/53/99/87/355539987.db2.gz ICEQDYOALQCNTG-NSHDSACASA-N 1 2 238.262 0.852 20 0 BCADLO C[N@@H+](Cc1cc(O)cc(F)c1)[C@H]1CCNC1=O ZINC000335821422 355539990 /nfs/dbraw/zinc/53/99/90/355539990.db2.gz ICEQDYOALQCNTG-NSHDSACASA-N 1 2 238.262 0.852 20 0 BCADLO Cc1ccn2c(CN(C)CC(N)=O)c[nH+]c2c1 ZINC000349861011 355509399 /nfs/dbraw/zinc/50/93/99/355509399.db2.gz MFSBYQAUFBGSGL-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1ccn2c(C[N@H+](C)CC(N)=O)cnc2c1 ZINC000349861011 355509400 /nfs/dbraw/zinc/50/94/00/355509400.db2.gz MFSBYQAUFBGSGL-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1ccn2c(C[N@@H+](C)CC(N)=O)cnc2c1 ZINC000349861011 355509401 /nfs/dbraw/zinc/50/94/01/355509401.db2.gz MFSBYQAUFBGSGL-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CCOC(C)C ZINC000349899896 355522144 /nfs/dbraw/zinc/52/21/44/355522144.db2.gz WUMKHWJGJIJBLS-SNVBAGLBSA-N 1 2 247.335 0.704 20 0 BCADLO O=C(Cc1ncccc1F)NCc1c[nH+]c[nH]1 ZINC000349923592 355528883 /nfs/dbraw/zinc/52/88/83/355528883.db2.gz XUEJKKRDUYTVDA-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO O=C(Cc1ncccc1F)NCc1c[nH]c[nH+]1 ZINC000349923592 355528887 /nfs/dbraw/zinc/52/88/87/355528887.db2.gz XUEJKKRDUYTVDA-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335847206 355590665 /nfs/dbraw/zinc/59/06/65/355590665.db2.gz IKQYOEUEQICRBD-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)NC[C@H](C)O)cc2n1C ZINC000335873269 355640809 /nfs/dbraw/zinc/64/08/09/355640809.db2.gz LJGFOXUPLDNJBX-QMMMGPOBSA-N 1 2 247.298 0.992 20 0 BCADLO CCn1ncnc1C[NH+]1CC(CCOC)C1 ZINC000639306189 355660961 /nfs/dbraw/zinc/66/09/61/355660961.db2.gz KCZCLHNAFACORZ-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000335862158 355625358 /nfs/dbraw/zinc/62/53/58/355625358.db2.gz RFDHOBBHFIMWES-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000335862158 355625361 /nfs/dbraw/zinc/62/53/61/355625361.db2.gz RFDHOBBHFIMWES-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CS[C@@H](C)C2)[nH]1 ZINC000639311368 355681929 /nfs/dbraw/zinc/68/19/29/355681929.db2.gz MTCCJKKMJSAWBI-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CS[C@H](C)C2)[nH]1 ZINC000639311365 355682033 /nfs/dbraw/zinc/68/20/33/355682033.db2.gz MTCCJKKMJSAWBI-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000336010840 134050801 /nfs/dbraw/zinc/05/08/01/134050801.db2.gz MDSASWZCECFAKD-JTQLQIEISA-N 1 2 213.256 0.624 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000336010840 134050802 /nfs/dbraw/zinc/05/08/02/134050802.db2.gz MDSASWZCECFAKD-JTQLQIEISA-N 1 2 213.256 0.624 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000336010763 134050907 /nfs/dbraw/zinc/05/09/07/134050907.db2.gz BRYMVJWYNWXMEU-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000336010763 134050908 /nfs/dbraw/zinc/05/09/08/134050908.db2.gz BRYMVJWYNWXMEU-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO COCC[N@H+](CC(N)=O)Cc1cccs1 ZINC000053099873 355760508 /nfs/dbraw/zinc/76/05/08/355760508.db2.gz RLBKIBSCZSCYKE-UHFFFAOYSA-N 1 2 228.317 0.682 20 0 BCADLO COCC[N@@H+](CC(N)=O)Cc1cccs1 ZINC000053099873 355760511 /nfs/dbraw/zinc/76/05/11/355760511.db2.gz RLBKIBSCZSCYKE-UHFFFAOYSA-N 1 2 228.317 0.682 20 0 BCADLO CNC(=O)C[N@H+](CCOC)Cc1cccs1 ZINC000053099697 355761487 /nfs/dbraw/zinc/76/14/87/355761487.db2.gz BWGWRXSRLBKCLH-UHFFFAOYSA-N 1 2 242.344 0.943 20 0 BCADLO CNC(=O)C[N@@H+](CCOC)Cc1cccs1 ZINC000053099697 355761489 /nfs/dbraw/zinc/76/14/89/355761489.db2.gz BWGWRXSRLBKCLH-UHFFFAOYSA-N 1 2 242.344 0.943 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C)ns1 ZINC000639333641 355763206 /nfs/dbraw/zinc/76/32/06/355763206.db2.gz YPLJTKBTPDMQFX-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C)ns1 ZINC000639333641 355763208 /nfs/dbraw/zinc/76/32/08/355763208.db2.gz YPLJTKBTPDMQFX-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639335961 355768314 /nfs/dbraw/zinc/76/83/14/355768314.db2.gz CMQUPJOELBDJGR-LBPRGKRZSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639335961 355768317 /nfs/dbraw/zinc/76/83/17/355768317.db2.gz CMQUPJOELBDJGR-LBPRGKRZSA-N 1 2 235.331 0.498 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639336363 355771228 /nfs/dbraw/zinc/77/12/28/355771228.db2.gz HTXXGWCDENXBTC-LBPRGKRZSA-N 1 2 223.320 0.133 20 0 BCADLO Cn1cccc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639336363 355771231 /nfs/dbraw/zinc/77/12/31/355771231.db2.gz HTXXGWCDENXBTC-LBPRGKRZSA-N 1 2 223.320 0.133 20 0 BCADLO COc1ccc(N[C@@H](C)CC(N)=O)[nH+]c1 ZINC000225836030 491084499 /nfs/dbraw/zinc/08/44/99/491084499.db2.gz HQUCVWNHRQAJEX-ZETCQYMHSA-N 1 2 209.249 0.766 20 0 BCADLO c1[nH]nnc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000639342343 355784996 /nfs/dbraw/zinc/78/49/96/355784996.db2.gz VEXLWIBUKFFERR-DCAQKATOSA-N 1 2 234.303 0.852 20 0 BCADLO c1n[nH]nc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000639342343 355784998 /nfs/dbraw/zinc/78/49/98/355784998.db2.gz VEXLWIBUKFFERR-DCAQKATOSA-N 1 2 234.303 0.852 20 0 BCADLO CCC(F)(F)CNCc1c[nH+]c(N)nc1N ZINC000639350566 355798823 /nfs/dbraw/zinc/79/88/23/355798823.db2.gz ITUCKYRNLJCSDB-UHFFFAOYSA-N 1 2 231.250 0.437 20 0 BCADLO N#Cc1cc(C[N@H+]2CCSC[C@H]2CO)ccn1 ZINC000388594912 355845311 /nfs/dbraw/zinc/84/53/11/355845311.db2.gz IVZAOBNZBQPOIP-GFCCVEGCSA-N 1 2 249.339 0.863 20 0 BCADLO N#Cc1cc(C[N@@H+]2CCSC[C@H]2CO)ccn1 ZINC000388594912 355845313 /nfs/dbraw/zinc/84/53/13/355845313.db2.gz IVZAOBNZBQPOIP-GFCCVEGCSA-N 1 2 249.339 0.863 20 0 BCADLO CCn1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623255165 355856685 /nfs/dbraw/zinc/85/66/85/355856685.db2.gz QRQVGPZDWWMZLV-SECBINFHSA-N 1 2 245.286 0.454 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CC2 ZINC000623255451 355859781 /nfs/dbraw/zinc/85/97/81/355859781.db2.gz ILAIFVPLFNBGTD-PSASIEDQSA-N 1 2 217.272 0.724 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CC2 ZINC000623255454 355860044 /nfs/dbraw/zinc/86/00/44/355860044.db2.gz ILAIFVPLFNBGTD-WPRPVWTQSA-N 1 2 217.272 0.724 20 0 BCADLO COCC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255831 355861918 /nfs/dbraw/zinc/86/19/18/355861918.db2.gz XHNFYDLOZVRFTM-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368614 355864236 /nfs/dbraw/zinc/86/42/36/355864236.db2.gz OUSJEQLNOHVRAO-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368614 355864239 /nfs/dbraw/zinc/86/42/39/355864239.db2.gz OUSJEQLNOHVRAO-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO COc1cc(C[NH2+]Cc2cnn[nH]2)sn1 ZINC000399027270 355829059 /nfs/dbraw/zinc/82/90/59/355829059.db2.gz IAHSOVHYUBPRMX-UHFFFAOYSA-N 1 2 225.277 0.560 20 0 BCADLO OCC[NH+](CCO)Cc1cc(F)c(F)cc1F ZINC000628369583 355876037 /nfs/dbraw/zinc/87/60/37/355876037.db2.gz KIVPDEYUOCYKES-UHFFFAOYSA-N 1 2 249.232 0.891 20 0 BCADLO CC(C)(C)c1cnc(C[NH2+]C(CO)CO)o1 ZINC000583638601 355940625 /nfs/dbraw/zinc/94/06/25/355940625.db2.gz BYUMOGLWYKDDSX-UHFFFAOYSA-N 1 2 228.292 0.415 20 0 BCADLO CC(C)n1cc(C[NH2+]C2(C)COC2)nn1 ZINC000639380640 355918606 /nfs/dbraw/zinc/91/86/06/355918606.db2.gz HMYHBEGOAAUVMO-UHFFFAOYSA-N 1 2 210.281 0.738 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2ncnn2C)C1 ZINC000639381341 355921404 /nfs/dbraw/zinc/92/14/04/355921404.db2.gz BCVDRDHSVFMIIJ-LLVKDONJSA-N 1 2 224.308 0.552 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000639381341 355921407 /nfs/dbraw/zinc/92/14/07/355921407.db2.gz BCVDRDHSVFMIIJ-LLVKDONJSA-N 1 2 224.308 0.552 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351151848 355955144 /nfs/dbraw/zinc/95/51/44/355955144.db2.gz XQYWXTGWWUGUSO-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351151848 355955145 /nfs/dbraw/zinc/95/51/45/355955145.db2.gz XQYWXTGWWUGUSO-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC1(O)CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623256536 355960025 /nfs/dbraw/zinc/96/00/25/355960025.db2.gz PJHUBTWNTZITPS-XEVUQIKYSA-N 1 2 235.287 0.085 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C)no2)[C@H]1C ZINC000351632139 356037556 /nfs/dbraw/zinc/03/75/56/356037556.db2.gz WBPURXQJVDJORY-IONNQARKSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)no2)[C@H]1C ZINC000351632139 356037559 /nfs/dbraw/zinc/03/75/59/356037559.db2.gz WBPURXQJVDJORY-IONNQARKSA-N 1 2 239.275 0.761 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@H](C)[C@H](C)O1 ZINC000351645736 356043420 /nfs/dbraw/zinc/04/34/20/356043420.db2.gz DWEVRAHYNGCKDD-BBBLOLIVSA-N 1 2 224.308 0.813 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@H](C)[C@H](C)O1 ZINC000351645736 356043424 /nfs/dbraw/zinc/04/34/24/356043424.db2.gz DWEVRAHYNGCKDD-BBBLOLIVSA-N 1 2 224.308 0.813 20 0 BCADLO CO[C@H]1C[NH+](Cc2ccon2)C[C@@H]1OC ZINC000351648565 356044266 /nfs/dbraw/zinc/04/42/66/356044266.db2.gz LFXDZTPEFATPGA-UWVGGRQHSA-N 1 2 212.249 0.520 20 0 BCADLO COC(=O)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000351674775 356052633 /nfs/dbraw/zinc/05/26/33/356052633.db2.gz OXRHCRMZOVMCIQ-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000269111759 181229933 /nfs/dbraw/zinc/22/99/33/181229933.db2.gz XSEOGQXNLXVKMA-UHFFFAOYSA-N 1 2 247.298 0.235 20 0 BCADLO NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000269111759 181229934 /nfs/dbraw/zinc/22/99/34/181229934.db2.gz XSEOGQXNLXVKMA-UHFFFAOYSA-N 1 2 247.298 0.235 20 0 BCADLO NC(=O)C[NH+]1CCC(Nc2nccs2)CC1 ZINC000037987004 181231426 /nfs/dbraw/zinc/23/14/26/181231426.db2.gz YWBURRZSPPEXAV-UHFFFAOYSA-N 1 2 240.332 0.505 20 0 BCADLO NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285453879 181231991 /nfs/dbraw/zinc/23/19/91/181231991.db2.gz YUAAAXGZLCFSNH-UHFFFAOYSA-N 1 2 206.245 0.854 20 0 BCADLO NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285453879 181231992 /nfs/dbraw/zinc/23/19/92/181231992.db2.gz YUAAAXGZLCFSNH-UHFFFAOYSA-N 1 2 206.245 0.854 20 0 BCADLO O=S(=O)(NCCn1cc[nH+]c1)c1ccoc1 ZINC000351702806 356063141 /nfs/dbraw/zinc/06/31/41/356063141.db2.gz FMVFWNBRZDEAQC-UHFFFAOYSA-N 1 2 241.272 0.455 20 0 BCADLO COC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623260389 356116324 /nfs/dbraw/zinc/11/63/24/356116324.db2.gz BDVPOQMLWXLVEV-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO COCCN1CC[N@H+](CC[C@@H](C)F)CC1=O ZINC000351719271 356069221 /nfs/dbraw/zinc/06/92/21/356069221.db2.gz LSWQUILTCYXIIW-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO COCCN1CC[N@@H+](CC[C@@H](C)F)CC1=O ZINC000351719271 356069223 /nfs/dbraw/zinc/06/92/23/356069223.db2.gz LSWQUILTCYXIIW-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cn1 ZINC000351718402 356069491 /nfs/dbraw/zinc/06/94/91/356069491.db2.gz JJAPITNASYMIQD-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cn1 ZINC000351718402 356069494 /nfs/dbraw/zinc/06/94/94/356069494.db2.gz JJAPITNASYMIQD-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000367128881 356078353 /nfs/dbraw/zinc/07/83/53/356078353.db2.gz INAGJKFXEYMVFY-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000367128881 356078357 /nfs/dbraw/zinc/07/83/57/356078357.db2.gz INAGJKFXEYMVFY-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+](CCOCCO)[C@@H](C)c1noc(C)n1 ZINC000352116349 134073940 /nfs/dbraw/zinc/07/39/40/134073940.db2.gz VMSGYUOVONBJFB-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@@H](C)c1noc(C)n1 ZINC000352116349 134073941 /nfs/dbraw/zinc/07/39/41/134073941.db2.gz VMSGYUOVONBJFB-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cncc(O)c1 ZINC000623260122 356097463 /nfs/dbraw/zinc/09/74/63/356097463.db2.gz VFAYFFTXDIQMOB-VIFPVBQESA-N 1 2 244.254 0.338 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ncccc1O ZINC000623262227 356162834 /nfs/dbraw/zinc/16/28/34/356162834.db2.gz TVZRLNKIMBWGSV-QMMMGPOBSA-N 1 2 244.254 0.338 20 0 BCADLO C[C@H](O)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262323 356163562 /nfs/dbraw/zinc/16/35/62/356163562.db2.gz XGMKNOYVFPQIGZ-JTQLQIEISA-N 1 2 234.299 0.846 20 0 BCADLO Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000335919133 356165587 /nfs/dbraw/zinc/16/55/87/356165587.db2.gz OMYNTQYOXMLPDJ-NSHDSACASA-N 1 2 234.303 0.227 20 0 BCADLO Cn1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000335919133 356165589 /nfs/dbraw/zinc/16/55/89/356165589.db2.gz OMYNTQYOXMLPDJ-NSHDSACASA-N 1 2 234.303 0.227 20 0 BCADLO Cc1c(C[N@@H+]2CCn3ccnc3C2)cnn1C ZINC000335919086 356165992 /nfs/dbraw/zinc/16/59/92/356165992.db2.gz VELLHFXGAFWBAA-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1c(C[N@H+]2CCn3ccnc3C2)cnn1C ZINC000335919086 356165995 /nfs/dbraw/zinc/16/59/95/356165995.db2.gz VELLHFXGAFWBAA-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1O ZINC000351907229 356179537 /nfs/dbraw/zinc/17/95/37/356179537.db2.gz LTEHVVOWXJVLBG-ONGXEEELSA-N 1 2 245.282 0.787 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000351901679 356172846 /nfs/dbraw/zinc/17/28/46/356172846.db2.gz HSUAEHFXOFAQIY-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@@H](O)C1 ZINC000351901679 356172850 /nfs/dbraw/zinc/17/28/50/356172850.db2.gz HSUAEHFXOFAQIY-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351904226 356175451 /nfs/dbraw/zinc/17/54/51/356175451.db2.gz OBITZSWYPPXFNH-XLKFXECMSA-N 1 2 219.306 0.002 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351904226 356175454 /nfs/dbraw/zinc/17/54/54/356175454.db2.gz OBITZSWYPPXFNH-XLKFXECMSA-N 1 2 219.306 0.002 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cnn1 ZINC000623261356 356150568 /nfs/dbraw/zinc/15/05/68/356150568.db2.gz MZDGMJCSXZKZBF-JTQLQIEISA-N 1 2 243.270 0.336 20 0 BCADLO CC1(C)CO[C@@H](C[N@@H+]2CCNC(=O)C2)C1 ZINC000639433916 356210990 /nfs/dbraw/zinc/21/09/90/356210990.db2.gz DYRVCPIECSUSGU-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO CC1(C)CO[C@@H](C[N@H+]2CCNC(=O)C2)C1 ZINC000639433916 356210992 /nfs/dbraw/zinc/21/09/92/356210992.db2.gz DYRVCPIECSUSGU-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)C2(C)C)[nH]1 ZINC000332664195 356225217 /nfs/dbraw/zinc/22/52/17/356225217.db2.gz CHWVULPAPYKKNJ-MRVPVSSYSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)C2(C)C)[nH]1 ZINC000332664195 356225230 /nfs/dbraw/zinc/22/52/30/356225230.db2.gz CHWVULPAPYKKNJ-MRVPVSSYSA-N 1 2 224.308 0.712 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCS1 ZINC000623263995 356227704 /nfs/dbraw/zinc/22/77/04/356227704.db2.gz CKEFLYXOZJYGHN-PSASIEDQSA-N 1 2 237.328 0.820 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623264458 356236228 /nfs/dbraw/zinc/23/62/28/356236228.db2.gz MAHUNVHPRNKRBO-JTQLQIEISA-N 1 2 230.271 0.576 20 0 BCADLO O=C(Cc1ccco1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264832 356230024 /nfs/dbraw/zinc/23/00/24/356230024.db2.gz VFPGBGVIBYZWRM-SECBINFHSA-N 1 2 231.255 0.760 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000623264660 356236530 /nfs/dbraw/zinc/23/65/30/356236530.db2.gz QAZLESMSSIQZRD-BDAKNGLRSA-N 1 2 237.328 0.677 20 0 BCADLO O=C([C@@H]1CCC[C@H](O)C1)N1CCn2c[nH+]cc2C1 ZINC000336104381 134084604 /nfs/dbraw/zinc/08/46/04/134084604.db2.gz BVMUBSBKGLZVGN-PWSUYJOCSA-N 1 2 249.314 0.776 20 0 BCADLO C[C@@](O)(CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263115 356198286 /nfs/dbraw/zinc/19/82/86/356198286.db2.gz CCEKKQOSTYPUPV-ZWNOBZJWSA-N 1 2 249.314 0.475 20 0 BCADLO COCCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623263083 356198345 /nfs/dbraw/zinc/19/83/45/356198345.db2.gz BJEWTNCKNVOIHH-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CN1CC(=O)N[C@H]1c1cccc2[nH+]ccn21 ZINC000639413090 356202778 /nfs/dbraw/zinc/20/27/78/356202778.db2.gz LYNYIWKVQBZJMM-LLVKDONJSA-N 1 2 216.244 0.395 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ncn1 ZINC000623263786 356203006 /nfs/dbraw/zinc/20/30/06/356203006.db2.gz XDSPHMCKQDLPLB-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@H]1c1c[nH]c[nH+]1 ZINC000639427663 356209007 /nfs/dbraw/zinc/20/90/07/356209007.db2.gz OKQHHMKBXWNPIO-MRVPVSSYSA-N 1 2 208.265 0.639 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639472992 356264987 /nfs/dbraw/zinc/26/49/87/356264987.db2.gz VLGCILHDOZGZMY-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639472992 356264993 /nfs/dbraw/zinc/26/49/93/356264993.db2.gz VLGCILHDOZGZMY-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO OCC[NH+](CCO)Cc1nc(C2CCC2)no1 ZINC000639473354 356266050 /nfs/dbraw/zinc/26/60/50/356266050.db2.gz BLGNORCVAOLTSH-UHFFFAOYSA-N 1 2 241.291 0.124 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000336116854 134088771 /nfs/dbraw/zinc/08/87/71/134088771.db2.gz KQTYKGSKPGDBGY-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000336116854 134088772 /nfs/dbraw/zinc/08/87/72/134088772.db2.gz KQTYKGSKPGDBGY-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639460832 356244538 /nfs/dbraw/zinc/24/45/38/356244538.db2.gz MOLCGJHTQNOOLX-SNVBAGLBSA-N 1 2 237.303 0.979 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639460832 356244539 /nfs/dbraw/zinc/24/45/39/356244539.db2.gz MOLCGJHTQNOOLX-SNVBAGLBSA-N 1 2 237.303 0.979 20 0 BCADLO CCn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623265276 356292914 /nfs/dbraw/zinc/29/29/14/356292914.db2.gz ARIFYAPPTINCBV-SNVBAGLBSA-N 1 2 245.286 0.454 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)[nH]1 ZINC000333509871 356295731 /nfs/dbraw/zinc/29/57/31/356295731.db2.gz DXYAFQFNIGMFMT-DTWKUNHWSA-N 1 2 223.324 0.407 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724987 356301602 /nfs/dbraw/zinc/30/16/02/356301602.db2.gz FPTNBGZBJILIJA-WRWGMCAJSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724987 356301606 /nfs/dbraw/zinc/30/16/06/356301606.db2.gz FPTNBGZBJILIJA-WRWGMCAJSA-N 1 2 240.347 0.868 20 0 BCADLO CCc1ocnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266127 356302866 /nfs/dbraw/zinc/30/28/66/356302866.db2.gz RXSWNGACCDTUFH-QMMMGPOBSA-N 1 2 246.270 0.788 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CC=CC1 ZINC000623266321 356304573 /nfs/dbraw/zinc/30/45/73/356304573.db2.gz YCPVQMXUSWVGEV-SNVBAGLBSA-N 1 2 217.272 0.890 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267226 356318815 /nfs/dbraw/zinc/31/88/15/356318815.db2.gz NGMXBEMZWZPMCF-QMMMGPOBSA-N 1 2 223.276 0.349 20 0 BCADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313581 181266013 /nfs/dbraw/zinc/26/60/13/181266013.db2.gz XFINJBWCXYDUFH-WDEREUQCSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](O)C1 ZINC000074313581 181266015 /nfs/dbraw/zinc/26/60/15/181266015.db2.gz XFINJBWCXYDUFH-WDEREUQCSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000193718518 181268983 /nfs/dbraw/zinc/26/89/83/181268983.db2.gz MDIPOUFGYNHUKI-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000193718518 181268985 /nfs/dbraw/zinc/26/89/85/181268985.db2.gz MDIPOUFGYNHUKI-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO CCCOCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270243 356385221 /nfs/dbraw/zinc/38/52/21/356385221.db2.gz AYKCHJQCAHVVSS-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO Cc1nccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623272452 356391956 /nfs/dbraw/zinc/39/19/56/356391956.db2.gz WMRYVKKINFWNQN-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO COCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000623273196 356397745 /nfs/dbraw/zinc/39/77/45/356397745.db2.gz YDLGMMNKOCTWMH-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO Cc1c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cnn1C ZINC000623276704 356417207 /nfs/dbraw/zinc/41/72/07/356417207.db2.gz HWRHNFYJPSFRGK-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623276598 356417238 /nfs/dbraw/zinc/41/72/38/356417238.db2.gz FWEISESQBAAILK-LLVKDONJSA-N 1 2 242.282 0.941 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1(CO)CC1 ZINC000617896601 356417257 /nfs/dbraw/zinc/41/72/57/356417257.db2.gz WHTVXWFHJPANCG-VIFPVBQESA-N 1 2 223.276 0.160 20 0 BCADLO NC(=O)[C@@]1(O)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000285110166 181275723 /nfs/dbraw/zinc/27/57/23/181275723.db2.gz RFEXALCSDHQXJW-WAXIIBMWSA-N 1 2 239.102 0.228 20 0 BCADLO NC(=O)[C@@]1(O)CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000285110166 181275726 /nfs/dbraw/zinc/27/57/26/181275726.db2.gz RFEXALCSDHQXJW-WAXIIBMWSA-N 1 2 239.102 0.228 20 0 BCADLO CC[NH2+]CCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000420411239 192239993 /nfs/dbraw/zinc/23/99/93/192239993.db2.gz BIAUEIZEEQCJFR-LURJTMIESA-N 1 2 248.270 0.466 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccoc1 ZINC000623278110 356425830 /nfs/dbraw/zinc/42/58/30/356425830.db2.gz MPKBTASJBPDHDL-SECBINFHSA-N 1 2 217.228 0.831 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639551210 356432112 /nfs/dbraw/zinc/43/21/12/356432112.db2.gz HYCZIPZZLBEDHU-SCZZXKLOSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639551210 356432116 /nfs/dbraw/zinc/43/21/16/356432116.db2.gz HYCZIPZZLBEDHU-SCZZXKLOSA-N 1 2 237.303 0.977 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352670102 356402148 /nfs/dbraw/zinc/40/21/48/356402148.db2.gz CWPULMGRCBIBEO-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352670102 356402149 /nfs/dbraw/zinc/40/21/49/356402149.db2.gz CWPULMGRCBIBEO-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO O=C(CC[C@@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274594 356408324 /nfs/dbraw/zinc/40/83/24/356408324.db2.gz QBTFJNQGAFBWEW-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1nc(N2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000420637875 192252138 /nfs/dbraw/zinc/25/21/38/192252138.db2.gz PJFOLWPNDHMXBK-UHFFFAOYSA-N 1 2 232.287 0.801 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccccn1 ZINC000623282123 356465975 /nfs/dbraw/zinc/46/59/75/356465975.db2.gz NDWAFZOJVGOWGN-VIFPVBQESA-N 1 2 228.255 0.633 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccncc1 ZINC000623282384 356467715 /nfs/dbraw/zinc/46/77/15/356467715.db2.gz VUAAKZPUAQMUBY-JTQLQIEISA-N 1 2 228.255 0.633 20 0 BCADLO CCNS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420700497 192256928 /nfs/dbraw/zinc/25/69/28/192256928.db2.gz OVNOLRGXJDPHCZ-UHFFFAOYSA-N 1 2 243.332 0.642 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000193007100 356493294 /nfs/dbraw/zinc/49/32/94/356493294.db2.gz UWAFZOKFFRHNMC-BDAKNGLRSA-N 1 2 225.296 0.257 20 0 BCADLO CC(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000639569693 356494152 /nfs/dbraw/zinc/49/41/52/356494152.db2.gz XVIQXONUQCRBCK-UHFFFAOYSA-N 1 2 237.278 0.932 20 0 BCADLO NC(=O)C1([NH2+]CC(=O)c2ccccc2F)CC1 ZINC000639571413 356495414 /nfs/dbraw/zinc/49/54/14/356495414.db2.gz ILPQNKNHBBKYHA-UHFFFAOYSA-N 1 2 236.246 0.616 20 0 BCADLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCO ZINC000623290135 356508410 /nfs/dbraw/zinc/50/84/10/356508410.db2.gz GYIDSKHZRCEKSS-SECBINFHSA-N 1 2 220.272 0.822 20 0 BCADLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCO ZINC000623290135 356508414 /nfs/dbraw/zinc/50/84/14/356508414.db2.gz GYIDSKHZRCEKSS-SECBINFHSA-N 1 2 220.272 0.822 20 0 BCADLO c1ccc(CC[N@@H+]2CCc3n[nH]nc3C2)nc1 ZINC000639607329 356522762 /nfs/dbraw/zinc/52/27/62/356522762.db2.gz RTLISXJNLLVNTA-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO c1ccc(CC[N@H+]2CCc3n[nH]nc3C2)nc1 ZINC000639607329 356522765 /nfs/dbraw/zinc/52/27/65/356522765.db2.gz RTLISXJNLLVNTA-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958138 192280169 /nfs/dbraw/zinc/28/01/69/192280169.db2.gz OYFIDYOWPANAJE-NXEZZACHSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958138 192280172 /nfs/dbraw/zinc/28/01/72/192280172.db2.gz OYFIDYOWPANAJE-NXEZZACHSA-N 1 2 228.292 0.148 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420971808 192285923 /nfs/dbraw/zinc/28/59/23/192285923.db2.gz KXEYPPNJMMTZIM-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420971808 192285926 /nfs/dbraw/zinc/28/59/26/192285926.db2.gz KXEYPPNJMMTZIM-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@H+](CCO)CC(F)F ZINC000639619937 356534837 /nfs/dbraw/zinc/53/48/37/356534837.db2.gz WIPZVGDZBRWMKP-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@@H+](CCO)CC(F)F ZINC000639619937 356534841 /nfs/dbraw/zinc/53/48/41/356534841.db2.gz WIPZVGDZBRWMKP-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO CC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000639619948 356534860 /nfs/dbraw/zinc/53/48/60/356534860.db2.gz JNILHEROLYVPMW-LBPRGKRZSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000639619948 356534863 /nfs/dbraw/zinc/53/48/63/356534863.db2.gz JNILHEROLYVPMW-LBPRGKRZSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000639617603 356535169 /nfs/dbraw/zinc/53/51/69/356535169.db2.gz OTEFHUPQXBQNRT-NSHDSACASA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000639617603 356535170 /nfs/dbraw/zinc/53/51/70/356535170.db2.gz OTEFHUPQXBQNRT-NSHDSACASA-N 1 2 227.304 0.845 20 0 BCADLO O=C(C1CC1)N1CC[N@@H+](CCCCCO)C1 ZINC000420987493 192291512 /nfs/dbraw/zinc/29/15/12/192291512.db2.gz PWGCLSSRNBMKBM-UHFFFAOYSA-N 1 2 226.320 0.661 20 0 BCADLO O=C(C1CC1)N1CC[N@H+](CCCCCO)C1 ZINC000420987493 192291515 /nfs/dbraw/zinc/29/15/15/192291515.db2.gz PWGCLSSRNBMKBM-UHFFFAOYSA-N 1 2 226.320 0.661 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420988246 192292419 /nfs/dbraw/zinc/29/24/19/192292419.db2.gz SYCCELPTPWNOHQ-JTQLQIEISA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420988246 192292422 /nfs/dbraw/zinc/29/24/22/192292422.db2.gz SYCCELPTPWNOHQ-JTQLQIEISA-N 1 2 212.293 0.269 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000449785377 202033804 /nfs/dbraw/zinc/03/38/04/202033804.db2.gz FYMFKNPOOAXSSB-NSHDSACASA-N 1 2 238.335 0.217 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000449785377 202033807 /nfs/dbraw/zinc/03/38/07/202033807.db2.gz FYMFKNPOOAXSSB-NSHDSACASA-N 1 2 238.335 0.217 20 0 BCADLO COC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623297314 356549940 /nfs/dbraw/zinc/54/99/40/356549940.db2.gz BCCHDTQYMVNAPA-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)on1 ZINC000623297720 356550763 /nfs/dbraw/zinc/55/07/63/356550763.db2.gz LVPIWOPYZMFPCD-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000578129278 366290330 /nfs/dbraw/zinc/29/03/30/366290330.db2.gz XZXGQAKSRUKCBJ-CHWSQXEVSA-N 1 2 245.282 0.877 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ncc[nH]1 ZINC000623298457 356554587 /nfs/dbraw/zinc/55/45/87/356554587.db2.gz BKZXTWIGEJYADE-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO CCOCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299149 356556732 /nfs/dbraw/zinc/55/67/32/356556732.db2.gz RJZLWKFQIWNSFO-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CC1(O)CC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623299174 356556870 /nfs/dbraw/zinc/55/68/70/356556870.db2.gz RVQIAVRWVQLDRT-RUETXSTFSA-N 1 2 249.314 0.475 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300769 356570588 /nfs/dbraw/zinc/57/05/88/356570588.db2.gz ZKHWWLNQIVUXRV-KOLCDFICSA-N 1 2 237.303 0.331 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000336208576 134133541 /nfs/dbraw/zinc/13/35/41/134133541.db2.gz ACGYAWAWMYHEPD-ZJUUUORDSA-N 1 2 213.256 0.325 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000336208576 134133542 /nfs/dbraw/zinc/13/35/42/134133542.db2.gz ACGYAWAWMYHEPD-ZJUUUORDSA-N 1 2 213.256 0.325 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304464 356591383 /nfs/dbraw/zinc/59/13/83/356591383.db2.gz YXHNWOMZIGPZLC-ONGXEEELSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1ocnc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303540 356593544 /nfs/dbraw/zinc/59/35/44/356593544.db2.gz FEBDABYYKJXBLK-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301963 356577610 /nfs/dbraw/zinc/57/76/10/356577610.db2.gz WZZAWASEBKWWDA-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301962 356577778 /nfs/dbraw/zinc/57/77/78/356577778.db2.gz WZZAWASEBKWWDA-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639664489 356578359 /nfs/dbraw/zinc/57/83/59/356578359.db2.gz RBHIJRDXTNKNBN-NXEZZACHSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666349 356580487 /nfs/dbraw/zinc/58/04/87/356580487.db2.gz QVDMMOLKAJLUCW-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666349 356580489 /nfs/dbraw/zinc/58/04/89/356580489.db2.gz QVDMMOLKAJLUCW-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302814 356583516 /nfs/dbraw/zinc/58/35/16/356583516.db2.gz POJSGLAXCHGXAI-DTWKUNHWSA-N 1 2 223.276 0.349 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccon1 ZINC000623302930 356584131 /nfs/dbraw/zinc/58/41/31/356584131.db2.gz SDKZAYNNPJYOKW-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CO1 ZINC000623303021 356584336 /nfs/dbraw/zinc/58/43/36/356584336.db2.gz UNRDNJKUCZDZJX-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cncnc1 ZINC000613564340 363493260 /nfs/dbraw/zinc/49/32/60/363493260.db2.gz YSKPUJAFPFVBRU-NXEZZACHSA-N 1 2 243.270 0.952 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000639677025 356585510 /nfs/dbraw/zinc/58/55/10/356585510.db2.gz GEQFCYDXUQWQAV-IUCAKERBSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000639677025 356585515 /nfs/dbraw/zinc/58/55/15/356585515.db2.gz GEQFCYDXUQWQAV-IUCAKERBSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000639670616 356586104 /nfs/dbraw/zinc/58/61/04/356586104.db2.gz MGMMOHXRVAAAAB-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000639670616 356586109 /nfs/dbraw/zinc/58/61/09/356586109.db2.gz MGMMOHXRVAAAAB-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000613565443 363494850 /nfs/dbraw/zinc/49/48/50/363494850.db2.gz SNZPXEKGKMVLGL-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000613565443 363494854 /nfs/dbraw/zinc/49/48/54/363494854.db2.gz SNZPXEKGKMVLGL-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC000623307602 356612356 /nfs/dbraw/zinc/61/23/56/356612356.db2.gz KFTPWOYLIIHWJG-GXFFZTMASA-N 1 2 249.314 0.883 20 0 BCADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)COC1 ZINC000623304614 356597242 /nfs/dbraw/zinc/59/72/42/356597242.db2.gz BFDCOFRLIBBJTP-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1C ZINC000639689025 356597775 /nfs/dbraw/zinc/59/77/75/356597775.db2.gz UXABYTQJQIKENX-BBBLOLIVSA-N 1 2 241.335 0.014 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1C ZINC000639689025 356597777 /nfs/dbraw/zinc/59/77/77/356597777.db2.gz UXABYTQJQIKENX-BBBLOLIVSA-N 1 2 241.335 0.014 20 0 BCADLO COCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623304765 356598223 /nfs/dbraw/zinc/59/82/23/356598223.db2.gz DVEHEJUCJLBJQQ-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639694776 356603916 /nfs/dbraw/zinc/60/39/16/356603916.db2.gz LYKZAFVPLICUNO-KXUCPTDWSA-N 1 2 212.293 0.515 20 0 BCADLO CC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639694776 356603920 /nfs/dbraw/zinc/60/39/20/356603920.db2.gz LYKZAFVPLICUNO-KXUCPTDWSA-N 1 2 212.293 0.515 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1csnn1 ZINC000623309251 356618081 /nfs/dbraw/zinc/61/80/81/356618081.db2.gz UKQIEUDCILHXCX-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO CNc1nc(NC[C@@H](C)O)[nH+]c2ccccc21 ZINC000450214768 202097802 /nfs/dbraw/zinc/09/78/02/202097802.db2.gz ZFCVQPJFCZZUQC-MRVPVSSYSA-N 1 2 232.287 0.308 20 0 BCADLO C[C@H](C[N@@H+]1CCOC(C)(C)C1)S(C)(=O)=O ZINC000450220055 202101902 /nfs/dbraw/zinc/10/19/02/202101902.db2.gz ZTUHFMXOXMEMDG-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H](C[N@H+]1CCOC(C)(C)C1)S(C)(=O)=O ZINC000450220055 202101904 /nfs/dbraw/zinc/10/19/04/202101904.db2.gz ZTUHFMXOXMEMDG-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO Cc1cnc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000639743145 356635469 /nfs/dbraw/zinc/63/54/69/356635469.db2.gz JLEIPSHCAXJJBM-MRVPVSSYSA-N 1 2 247.258 0.926 20 0 BCADLO c1coc(C[NH+]2CCN(Cc3cn[nH]n3)CC2)c1 ZINC000450235889 202104008 /nfs/dbraw/zinc/10/40/08/202104008.db2.gz ZHEOVSPPRPDPSA-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO c1coc(C[NH+]2CCN(Cc3c[nH]nn3)CC2)c1 ZINC000450235889 202104010 /nfs/dbraw/zinc/10/40/10/202104010.db2.gz ZHEOVSPPRPDPSA-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000302806864 356628656 /nfs/dbraw/zinc/62/86/56/356628656.db2.gz COYIOBZXFSBOMM-SNVBAGLBSA-N 1 2 243.351 0.167 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000302806864 356628658 /nfs/dbraw/zinc/62/86/58/356628658.db2.gz COYIOBZXFSBOMM-SNVBAGLBSA-N 1 2 243.351 0.167 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639746365 356639391 /nfs/dbraw/zinc/63/93/91/356639391.db2.gz FASYPOIWIOOSSF-UWVGGRQHSA-N 1 2 227.352 0.522 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2cc[nH]n2)n1 ZINC000350657723 366317415 /nfs/dbraw/zinc/31/74/15/366317415.db2.gz LDBBAGGGFUFAMA-UHFFFAOYSA-N 1 2 230.231 0.784 20 0 BCADLO CC(=O)NCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000582246665 356677830 /nfs/dbraw/zinc/67/78/30/356677830.db2.gz LMRGUIOAXKPFJP-UHFFFAOYSA-N 1 2 238.291 0.206 20 0 BCADLO CCC[C@@H](O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000450365663 202145049 /nfs/dbraw/zinc/14/50/49/202145049.db2.gz RCOUWEMXMHDVNM-QWHCGFSZSA-N 1 2 244.379 0.800 20 0 BCADLO CCC[C@@H](O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000450365663 202145052 /nfs/dbraw/zinc/14/50/52/202145052.db2.gz RCOUWEMXMHDVNM-QWHCGFSZSA-N 1 2 244.379 0.800 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@H]2CCOC2)c[nH+]1 ZINC000542417155 325025527 /nfs/dbraw/zinc/02/55/27/325025527.db2.gz VHYFNJGIIOQYDT-VIFPVBQESA-N 1 2 223.276 0.875 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCCC2)CCO1 ZINC000054172127 363563852 /nfs/dbraw/zinc/56/38/52/363563852.db2.gz WTHQGZFRQWHRFK-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CCO1 ZINC000054172127 363563856 /nfs/dbraw/zinc/56/38/56/363563856.db2.gz WTHQGZFRQWHRFK-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172099 363563994 /nfs/dbraw/zinc/56/39/94/363563994.db2.gz CACBEDUCAPDBEV-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172099 363563996 /nfs/dbraw/zinc/56/39/96/363563996.db2.gz CACBEDUCAPDBEV-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172101 363564112 /nfs/dbraw/zinc/56/41/12/363564112.db2.gz YDWRSJQOCFBHFA-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172101 363564118 /nfs/dbraw/zinc/56/41/18/363564118.db2.gz YDWRSJQOCFBHFA-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)CCO1 ZINC000054172126 363564240 /nfs/dbraw/zinc/56/42/40/363564240.db2.gz WTHQGZFRQWHRFK-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)CCO1 ZINC000054172126 363564245 /nfs/dbraw/zinc/56/42/45/363564245.db2.gz WTHQGZFRQWHRFK-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172100 363563278 /nfs/dbraw/zinc/56/32/78/363563278.db2.gz YDWRSJQOCFBHFA-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172100 363563282 /nfs/dbraw/zinc/56/32/82/363563282.db2.gz YDWRSJQOCFBHFA-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)nc1=O ZINC000639777031 356719082 /nfs/dbraw/zinc/71/90/82/356719082.db2.gz HKIOIOBYPGHAAD-SECBINFHSA-N 1 2 248.290 0.169 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)nc1=O ZINC000639777031 356719086 /nfs/dbraw/zinc/71/90/86/356719086.db2.gz HKIOIOBYPGHAAD-SECBINFHSA-N 1 2 248.290 0.169 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777879 356724135 /nfs/dbraw/zinc/72/41/35/356724135.db2.gz NJHUVZKJYQWRDO-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777879 356724139 /nfs/dbraw/zinc/72/41/39/356724139.db2.gz NJHUVZKJYQWRDO-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO O=S1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180065788 366368348 /nfs/dbraw/zinc/36/83/48/366368348.db2.gz BICYJTKMTLDOOV-UHFFFAOYSA-N 1 2 249.339 0.899 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000354862109 356745465 /nfs/dbraw/zinc/74/54/65/356745465.db2.gz WTTHUTIVOQERFN-VIFPVBQESA-N 1 2 223.324 0.503 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000354862109 356745468 /nfs/dbraw/zinc/74/54/68/356745468.db2.gz WTTHUTIVOQERFN-VIFPVBQESA-N 1 2 223.324 0.503 20 0 BCADLO CCO[C@@H](C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000623344256 356747278 /nfs/dbraw/zinc/74/72/78/356747278.db2.gz CVVOSSIAVXVHSP-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CCO[C@H](C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000623344257 356747287 /nfs/dbraw/zinc/74/72/87/356747287.db2.gz CVVOSSIAVXVHSP-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO O[C@@H]1CC[N@H+](CCNCc2nccs2)C1 ZINC000623757756 356751557 /nfs/dbraw/zinc/75/15/57/356751557.db2.gz BGUZNBBAMFEIIW-SECBINFHSA-N 1 2 227.333 0.299 20 0 BCADLO O[C@@H]1CC[N@@H+](CCNCc2nccs2)C1 ZINC000623757756 356751561 /nfs/dbraw/zinc/75/15/61/356751561.db2.gz BGUZNBBAMFEIIW-SECBINFHSA-N 1 2 227.333 0.299 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000450492333 202185182 /nfs/dbraw/zinc/18/51/82/202185182.db2.gz SHZWRXPUWKUUSL-QWRGUYRKSA-N 1 2 245.319 0.674 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000450492333 202185184 /nfs/dbraw/zinc/18/51/84/202185184.db2.gz SHZWRXPUWKUUSL-QWRGUYRKSA-N 1 2 245.319 0.674 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000639832228 356817348 /nfs/dbraw/zinc/81/73/48/356817348.db2.gz DMSBHPAXRDHOFS-LLVKDONJSA-N 1 2 208.261 0.886 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000639832228 356817351 /nfs/dbraw/zinc/81/73/51/356817351.db2.gz DMSBHPAXRDHOFS-LLVKDONJSA-N 1 2 208.261 0.886 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)COC(C)C)CCO1 ZINC000639832488 356818474 /nfs/dbraw/zinc/81/84/74/356818474.db2.gz CADHBWVMVOXKOD-MNOVXSKESA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)COC(C)C)CCO1 ZINC000639832488 356818478 /nfs/dbraw/zinc/81/84/78/356818478.db2.gz CADHBWVMVOXKOD-MNOVXSKESA-N 1 2 233.308 0.077 20 0 BCADLO COc1cc[nH+]c(CN2CCO[C@H](OC)C2)c1 ZINC000639833737 356820528 /nfs/dbraw/zinc/82/05/28/356820528.db2.gz RFOUSGYNIVNOHE-LBPRGKRZSA-N 1 2 238.287 0.895 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000639840786 356835876 /nfs/dbraw/zinc/83/58/76/356835876.db2.gz ZXZFTJNNXQQVGG-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000639840786 356835880 /nfs/dbraw/zinc/83/58/80/356835880.db2.gz ZXZFTJNNXQQVGG-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639839787 356831242 /nfs/dbraw/zinc/83/12/42/356831242.db2.gz LLIBAIKCXKHRIH-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639839787 356831246 /nfs/dbraw/zinc/83/12/46/356831246.db2.gz LLIBAIKCXKHRIH-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000639862856 356869482 /nfs/dbraw/zinc/86/94/82/356869482.db2.gz PXOBBANLJSVYGW-SNVBAGLBSA-N 1 2 227.308 0.263 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000639862856 356869483 /nfs/dbraw/zinc/86/94/83/356869483.db2.gz PXOBBANLJSVYGW-SNVBAGLBSA-N 1 2 227.308 0.263 20 0 BCADLO C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000623370723 356875873 /nfs/dbraw/zinc/87/58/73/356875873.db2.gz XVVKXQQBSXYWPU-MWLCHTKSSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000623370723 356875875 /nfs/dbraw/zinc/87/58/75/356875875.db2.gz XVVKXQQBSXYWPU-MWLCHTKSSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000623370724 356876346 /nfs/dbraw/zinc/87/63/46/356876346.db2.gz XVVKXQQBSXYWPU-ONGXEEELSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000623370724 356876351 /nfs/dbraw/zinc/87/63/51/356876351.db2.gz XVVKXQQBSXYWPU-ONGXEEELSA-N 1 2 241.335 0.415 20 0 BCADLO CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623371657 356881046 /nfs/dbraw/zinc/88/10/46/356881046.db2.gz MNFJNSYGPBLMGB-VIFPVBQESA-N 1 2 207.277 0.890 20 0 BCADLO Cn1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1=O ZINC000351869445 538709534 /nfs/dbraw/zinc/70/95/34/538709534.db2.gz VKICOKVBPFPBPH-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO Cn1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1=O ZINC000351869445 538709544 /nfs/dbraw/zinc/70/95/44/538709544.db2.gz VKICOKVBPFPBPH-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC1(O)CCC1 ZINC000352053061 538714237 /nfs/dbraw/zinc/71/42/37/538714237.db2.gz QAFOBHWBNBQIFU-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CCC1 ZINC000352053061 538714246 /nfs/dbraw/zinc/71/42/46/538714246.db2.gz QAFOBHWBNBQIFU-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345861 363569105 /nfs/dbraw/zinc/56/91/05/363569105.db2.gz FNCPKPXQFYUAGO-WDEREUQCSA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345861 363569110 /nfs/dbraw/zinc/56/91/10/363569110.db2.gz FNCPKPXQFYUAGO-WDEREUQCSA-N 1 2 226.320 0.766 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CC1 ZINC000623383942 356909185 /nfs/dbraw/zinc/90/91/85/356909185.db2.gz IJTFZWIKRRSCBU-JTQLQIEISA-N 1 2 227.308 0.026 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CC1 ZINC000623383942 356909187 /nfs/dbraw/zinc/90/91/87/356909187.db2.gz IJTFZWIKRRSCBU-JTQLQIEISA-N 1 2 227.308 0.026 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)C[C@H](C)OC ZINC000361573771 356933141 /nfs/dbraw/zinc/93/31/41/356933141.db2.gz NXKOVLUNKURPSL-VIFPVBQESA-N 1 2 242.323 0.992 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)C[C@H](C)OC ZINC000361573771 356933146 /nfs/dbraw/zinc/93/31/46/356933146.db2.gz NXKOVLUNKURPSL-VIFPVBQESA-N 1 2 242.323 0.992 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)C[C@@H](C)OC ZINC000361573770 356933326 /nfs/dbraw/zinc/93/33/26/356933326.db2.gz NXKOVLUNKURPSL-SECBINFHSA-N 1 2 242.323 0.992 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)C[C@@H](C)OC ZINC000361573770 356933328 /nfs/dbraw/zinc/93/33/28/356933328.db2.gz NXKOVLUNKURPSL-SECBINFHSA-N 1 2 242.323 0.992 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)C[C@H](C)OC ZINC000361573686 356933475 /nfs/dbraw/zinc/93/34/75/356933475.db2.gz NCWMKZRQOOZHMH-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1ncnn1C)C[C@H](C)OC ZINC000361573686 356933478 /nfs/dbraw/zinc/93/34/78/356933478.db2.gz NCWMKZRQOOZHMH-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)C[C@@H](C)OC ZINC000361566144 356933523 /nfs/dbraw/zinc/93/35/23/356933523.db2.gz RTNQULNWWVWCMS-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO CC[N@H+](Cc1nnnn1C)C[C@@H](C)OC ZINC000361566144 356933527 /nfs/dbraw/zinc/93/35/27/356933527.db2.gz RTNQULNWWVWCMS-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO CCn1ncnc1C[N@H+](CC)[C@@H]1CCOC1 ZINC000361587910 356934378 /nfs/dbraw/zinc/93/43/78/356934378.db2.gz LCJSYPKWMWRNPE-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)[C@@H]1CCOC1 ZINC000361587910 356934380 /nfs/dbraw/zinc/93/43/80/356934380.db2.gz LCJSYPKWMWRNPE-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361628345 356934987 /nfs/dbraw/zinc/93/49/87/356934987.db2.gz HZOYLFVNOGPJEV-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO CCCCOC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361628345 356934989 /nfs/dbraw/zinc/93/49/89/356934989.db2.gz HZOYLFVNOGPJEV-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO Cc1cc(NCCn2ccnn2)c(C#N)c[nH+]1 ZINC000399511633 356963278 /nfs/dbraw/zinc/96/32/78/356963278.db2.gz NVLUPOWITQHTII-UHFFFAOYSA-N 1 2 228.259 0.387 20 0 BCADLO CS(=O)(=O)N1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000400258960 356986637 /nfs/dbraw/zinc/98/66/37/356986637.db2.gz RGPIXJKIPDZVKO-SECBINFHSA-N 1 2 241.316 0.527 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cncnc2)C1=O ZINC000353714227 538765259 /nfs/dbraw/zinc/76/52/59/538765259.db2.gz QDXRIGSFVKRKMS-SNVBAGLBSA-N 1 2 220.276 0.139 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cncnc2)C1=O ZINC000353714227 538765260 /nfs/dbraw/zinc/76/52/60/538765260.db2.gz QDXRIGSFVKRKMS-SNVBAGLBSA-N 1 2 220.276 0.139 20 0 BCADLO COCCCCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639872313 357042105 /nfs/dbraw/zinc/04/21/05/357042105.db2.gz VDZATSPTXRYIIU-GFCCVEGCSA-N 1 2 230.352 0.411 20 0 BCADLO COCCCCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639872313 357042111 /nfs/dbraw/zinc/04/21/11/357042111.db2.gz VDZATSPTXRYIIU-GFCCVEGCSA-N 1 2 230.352 0.411 20 0 BCADLO C[N@@H+]1CCN([C@@H]2C=CCCC2)[C@@H](CO)C1 ZINC000639872277 357042260 /nfs/dbraw/zinc/04/22/60/357042260.db2.gz VCOXDQYWYWHKCS-VXGBXAGGSA-N 1 2 210.321 0.703 20 0 BCADLO C[N@H+]1CCN([C@@H]2C=CCCC2)[C@@H](CO)C1 ZINC000639872277 357042263 /nfs/dbraw/zinc/04/22/63/357042263.db2.gz VCOXDQYWYWHKCS-VXGBXAGGSA-N 1 2 210.321 0.703 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639872635 357043954 /nfs/dbraw/zinc/04/39/54/357043954.db2.gz RTRWYAQDCAECHQ-NSHDSACASA-N 1 2 239.319 0.400 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639872635 357043959 /nfs/dbraw/zinc/04/39/59/357043959.db2.gz RTRWYAQDCAECHQ-NSHDSACASA-N 1 2 239.319 0.400 20 0 BCADLO CC[C@@H](NC(=O)c1cc(=O)[nH]cn1)c1[nH]cc[nH+]1 ZINC000626483543 357047170 /nfs/dbraw/zinc/04/71/70/357047170.db2.gz FAFKGECFSBHVCI-SSDOTTSWSA-N 1 2 247.258 0.786 20 0 BCADLO CCc1nnc(C[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000369976752 357002060 /nfs/dbraw/zinc/00/20/60/357002060.db2.gz WXKVXBXOUBGRME-SECBINFHSA-N 1 2 224.308 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000369976752 357002063 /nfs/dbraw/zinc/00/20/63/357002063.db2.gz WXKVXBXOUBGRME-SECBINFHSA-N 1 2 224.308 0.835 20 0 BCADLO CC/C=C/CCN1CC[N@H+](C)C[C@@H]1CO ZINC000639869340 357015239 /nfs/dbraw/zinc/01/52/39/357015239.db2.gz BCZHDLIGBBCXTJ-ZYOFXKKJSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C/CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639869340 357015241 /nfs/dbraw/zinc/01/52/41/357015241.db2.gz BCZHDLIGBBCXTJ-ZYOFXKKJSA-N 1 2 212.337 0.951 20 0 BCADLO CCCc1nc(=NC(=O)[C@H]2CCC[NH2+]2)s[nH]1 ZINC000390565914 357105035 /nfs/dbraw/zinc/10/50/35/357105035.db2.gz SYMYRCULDYDLCR-SSDOTTSWSA-N 1 2 240.332 0.603 20 0 BCADLO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)no1 ZINC000130934025 325103194 /nfs/dbraw/zinc/10/31/94/325103194.db2.gz IXTFRKPLDFZXNG-BDAKNGLRSA-N 1 2 238.291 0.512 20 0 BCADLO CC[C@@H](CCO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000354825333 538785079 /nfs/dbraw/zinc/78/50/79/538785079.db2.gz MSBZSFIHOODWMJ-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CC[C@@H](CCO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000354825333 538785081 /nfs/dbraw/zinc/78/50/81/538785081.db2.gz MSBZSFIHOODWMJ-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CNC(=O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582423596 357144787 /nfs/dbraw/zinc/14/47/87/357144787.db2.gz DWWPBRUEFLKSHS-SECBINFHSA-N 1 2 238.291 0.039 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392360574 357148086 /nfs/dbraw/zinc/14/80/86/357148086.db2.gz QOTYLDMSLGJLRD-CSMHCCOUSA-N 1 2 208.265 0.789 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000054547625 363574819 /nfs/dbraw/zinc/57/48/19/363574819.db2.gz ZGPBIFXDICWBJJ-UHFFFAOYSA-N 1 2 238.287 0.684 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H](O)C2(CC2)C1 ZINC000582439330 357158054 /nfs/dbraw/zinc/15/80/54/357158054.db2.gz PHPQLUZRFOUBCY-VIFPVBQESA-N 1 2 235.287 0.326 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583691300 357121902 /nfs/dbraw/zinc/12/19/02/357121902.db2.gz KIVYRVYTQVLBSC-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583691300 357121905 /nfs/dbraw/zinc/12/19/05/357121905.db2.gz KIVYRVYTQVLBSC-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO C[N@H+](C/C=C/Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000041392872 357129999 /nfs/dbraw/zinc/12/99/99/357129999.db2.gz HFSFXJGLHWLOLF-BYDTYLDUSA-N 1 2 223.725 0.858 20 0 BCADLO C[N@@H+](C/C=C/Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000041392872 357130003 /nfs/dbraw/zinc/13/00/03/357130003.db2.gz HFSFXJGLHWLOLF-BYDTYLDUSA-N 1 2 223.725 0.858 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1cccnc1 ZINC000356778337 538815241 /nfs/dbraw/zinc/81/52/41/538815241.db2.gz NWGBATKPLAPVQV-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO CCOCCCC(=O)NCc1c[nH+]cn1C ZINC000356753726 538815548 /nfs/dbraw/zinc/81/55/48/538815548.db2.gz ITGREHSQMWTMSR-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO Cc1[nH+]c2cc(NC(=O)CO)ccc2n1C ZINC000211441160 357177304 /nfs/dbraw/zinc/17/73/04/357177304.db2.gz WIUTUFBTLNTBBV-UHFFFAOYSA-N 1 2 219.244 0.813 20 0 BCADLO CC[C@@H](O)C[N@H+](C)Cc1nc(CCOC)no1 ZINC000305086664 357183447 /nfs/dbraw/zinc/18/34/47/357183447.db2.gz YVODWCJSCSQZJL-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)Cc1nc(CCOC)no1 ZINC000305086664 357183452 /nfs/dbraw/zinc/18/34/52/357183452.db2.gz YVODWCJSCSQZJL-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO Cc1nc(NCC2=CCOCC2)cc[nH+]1 ZINC000397741479 491108619 /nfs/dbraw/zinc/10/86/19/491108619.db2.gz WGPFUHHMYZJWSP-UHFFFAOYSA-N 1 2 205.261 1.544 20 0 BCADLO Cc1cc(NC(=O)N2CC([C@@H](C)O)C2)c(C)c[nH+]1 ZINC000639900443 357285469 /nfs/dbraw/zinc/28/54/69/357285469.db2.gz STFGBJKPTVUANR-SNVBAGLBSA-N 1 2 249.314 0.965 20 0 BCADLO C[C@H](O)CC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000393558143 357287466 /nfs/dbraw/zinc/28/74/66/357287466.db2.gz YFEOIGWLOMDDHS-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO O=[S@]1CC[C@H](Nc2nc[nH+]c3c2CCC3)C1 ZINC000393740336 357295328 /nfs/dbraw/zinc/29/53/28/357295328.db2.gz AYWFWTJCKGLQCY-PWJLMRLQSA-N 1 2 237.328 0.898 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC1CCCC1 ZINC000356804522 538818318 /nfs/dbraw/zinc/81/83/18/538818318.db2.gz ZQLCYTPGBNDTIM-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO COc1cc(C(=O)NCc2c[nH+]cn2C)on1 ZINC000356803286 538819006 /nfs/dbraw/zinc/81/90/06/538819006.db2.gz SELSBPMDQCERBO-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)no1 ZINC000582479300 357316284 /nfs/dbraw/zinc/31/62/84/357316284.db2.gz GEXQHZZFKLRKJQ-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)no1 ZINC000582479300 357316288 /nfs/dbraw/zinc/31/62/88/357316288.db2.gz GEXQHZZFKLRKJQ-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO CCC[C@H](C)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000582492335 357320115 /nfs/dbraw/zinc/32/01/15/357320115.db2.gz LCJJKFIOBBAYLW-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1CSCCN1C(=O)Cn1cc[nH+]c1 ZINC000582520389 357324654 /nfs/dbraw/zinc/32/46/54/357324654.db2.gz FNNSPKUWCMUDGE-SECBINFHSA-N 1 2 225.317 0.847 20 0 BCADLO COc1nc(C)cc(NCc2c[nH+]cn2C)n1 ZINC000357594967 538830327 /nfs/dbraw/zinc/83/03/27/538830327.db2.gz KCCJAGJMOFCXTA-UHFFFAOYSA-N 1 2 233.275 0.561 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)[nH]1 ZINC000582646572 357362236 /nfs/dbraw/zinc/36/22/36/357362236.db2.gz ZFATUZABAQIUSZ-GXSJLCMTSA-N 1 2 249.362 0.939 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)[nH]1 ZINC000582646573 357362259 /nfs/dbraw/zinc/36/22/59/357362259.db2.gz ZFATUZABAQIUSZ-KOLCDFICSA-N 1 2 249.362 0.939 20 0 BCADLO CC[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000582683803 357368219 /nfs/dbraw/zinc/36/82/19/357368219.db2.gz LADDHAHZOVNYIQ-VIFPVBQESA-N 1 2 207.277 0.974 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)O ZINC000395369388 357433583 /nfs/dbraw/zinc/43/35/83/357433583.db2.gz AIRUWONJRKTOOT-UHFFFAOYSA-N 1 2 211.265 0.290 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000583138531 357499351 /nfs/dbraw/zinc/49/93/51/357499351.db2.gz WPWRHRUXUVZBDK-ACLDMZEESA-N 1 2 243.332 0.683 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000583138533 357499396 /nfs/dbraw/zinc/49/93/96/357499396.db2.gz WPWRHRUXUVZBDK-OOZYFLPDSA-N 1 2 243.332 0.683 20 0 BCADLO CCc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)o1 ZINC000583003393 357455081 /nfs/dbraw/zinc/45/50/81/357455081.db2.gz UKXLAZQTFJUGIP-KCJUWKMLSA-N 1 2 237.303 0.851 20 0 BCADLO Cn1nccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583030543 357463765 /nfs/dbraw/zinc/46/37/65/357463765.db2.gz QIEHNGPBQQOPOU-UHFFFAOYSA-N 1 2 233.275 0.808 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000131736898 325180074 /nfs/dbraw/zinc/18/00/74/325180074.db2.gz UIOKHYQGNFTHSK-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000131736898 325180075 /nfs/dbraw/zinc/18/00/75/325180075.db2.gz UIOKHYQGNFTHSK-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO O=S1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189261351 357625787 /nfs/dbraw/zinc/62/57/87/357625787.db2.gz WQFKZYCQNVYUFR-SNVBAGLBSA-N 1 2 217.334 0.620 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189314160 357631385 /nfs/dbraw/zinc/63/13/85/357631385.db2.gz WTGFTNNUFVJPOY-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1oncc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189314160 357631390 /nfs/dbraw/zinc/63/13/90/357631390.db2.gz WTGFTNNUFVJPOY-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO CCCN1CCC[N@H+](Cc2cncnc2)CC1=O ZINC000189213814 357610827 /nfs/dbraw/zinc/61/08/27/357610827.db2.gz LFFFCZVSPJMGRF-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO CCCN1CCC[N@@H+](Cc2cncnc2)CC1=O ZINC000189213814 357610832 /nfs/dbraw/zinc/61/08/32/357610832.db2.gz LFFFCZVSPJMGRF-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCSC ZINC000189539747 357643092 /nfs/dbraw/zinc/64/30/92/357643092.db2.gz RDQPJSISTLDGBQ-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCSC ZINC000189539747 357643096 /nfs/dbraw/zinc/64/30/96/357643096.db2.gz RDQPJSISTLDGBQ-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2ccncc12 ZINC000231911900 357639223 /nfs/dbraw/zinc/63/92/23/357639223.db2.gz JXCBZLUUEXMWRK-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO CCOc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000233791400 357749444 /nfs/dbraw/zinc/74/94/44/357749444.db2.gz YTESKRGKBGCNDK-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191103070 357750923 /nfs/dbraw/zinc/75/09/23/357750923.db2.gz YMAUQQKHCJKEIY-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191103070 357750928 /nfs/dbraw/zinc/75/09/28/357750928.db2.gz YMAUQQKHCJKEIY-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CN1CCC[N@H+](C/C=C/Cl)CC1=O ZINC000191141129 357752823 /nfs/dbraw/zinc/75/28/23/357752823.db2.gz CPHCOJIEQCQFDH-DUXPYHPUSA-N 1 2 202.685 0.903 20 0 BCADLO CN1CCC[N@@H+](C/C=C/Cl)CC1=O ZINC000191141129 357752828 /nfs/dbraw/zinc/75/28/28/357752828.db2.gz CPHCOJIEQCQFDH-DUXPYHPUSA-N 1 2 202.685 0.903 20 0 BCADLO COCC[NH+](CCOC)Cc1ncccn1 ZINC000191887673 357801767 /nfs/dbraw/zinc/80/17/67/357801767.db2.gz GUASKSVMOQFGBC-UHFFFAOYSA-N 1 2 225.292 0.571 20 0 BCADLO COCCCOCC[N@H+](C)Cc1ncccn1 ZINC000192145946 357824459 /nfs/dbraw/zinc/82/44/59/357824459.db2.gz BRMPIMDNJWVJJE-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1ncccn1 ZINC000192145946 357824463 /nfs/dbraw/zinc/82/44/63/357824463.db2.gz BRMPIMDNJWVJJE-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(CC)C1 ZINC000191847584 357809069 /nfs/dbraw/zinc/80/90/69/357809069.db2.gz UGPWURBBIQIKPA-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192040532 357815158 /nfs/dbraw/zinc/81/51/58/357815158.db2.gz GRISYRYEZAIEAE-YUMQZZPRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192040532 357815162 /nfs/dbraw/zinc/81/51/62/357815162.db2.gz GRISYRYEZAIEAE-YUMQZZPRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000618703834 357784075 /nfs/dbraw/zinc/78/40/75/357784075.db2.gz HHIVQYHNASSBFE-GWCFXTLKSA-N 1 2 249.314 0.837 20 0 BCADLO CCCN(CCC)C(=O)C[N@H+](CC)CC(N)=O ZINC000191713803 357789654 /nfs/dbraw/zinc/78/96/54/357789654.db2.gz LUEOFGJHZULTNR-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CCCN(CCC)C(=O)C[N@@H+](CC)CC(N)=O ZINC000191713803 357789657 /nfs/dbraw/zinc/78/96/57/357789657.db2.gz LUEOFGJHZULTNR-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000191715969 357790190 /nfs/dbraw/zinc/79/01/90/357790190.db2.gz GSLCHEQNHHPZOK-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000191715969 357790195 /nfs/dbraw/zinc/79/01/95/357790195.db2.gz GSLCHEQNHHPZOK-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1ccoc1C(=O)OC ZINC000234797318 357829161 /nfs/dbraw/zinc/82/91/61/357829161.db2.gz MNSUNYFNWKXDAA-VIFPVBQESA-N 1 2 243.259 0.163 20 0 BCADLO CC(C)c1nc(N[C@@H]2CC(=O)N(C)C2=O)cc[nH+]1 ZINC000192627835 357842131 /nfs/dbraw/zinc/84/21/31/357842131.db2.gz YFRBAPDVAKOEOO-MRVPVSSYSA-N 1 2 248.286 0.769 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@]2(C)CO)no1 ZINC000546103447 325265239 /nfs/dbraw/zinc/26/52/39/325265239.db2.gz BBZZFTTUAKRIBB-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@]2(C)CO)no1 ZINC000546103447 325265241 /nfs/dbraw/zinc/26/52/41/325265241.db2.gz BBZZFTTUAKRIBB-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000193303067 357873602 /nfs/dbraw/zinc/87/36/02/357873602.db2.gz KMBKDVWUZDMBCD-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ncccc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000193303067 357873604 /nfs/dbraw/zinc/87/36/04/357873604.db2.gz KMBKDVWUZDMBCD-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO C[C@@H]1C[C@H](CO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000398701670 357889516 /nfs/dbraw/zinc/88/95/16/357889516.db2.gz LXIQEJUQVPJMLE-MNOVXSKESA-N 1 2 237.303 0.360 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000073558571 357919001 /nfs/dbraw/zinc/91/90/01/357919001.db2.gz COQZPLODZRYNJA-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO c1[nH]nnc1CCSCC[NH+]1CCOCC1 ZINC000583731284 357922815 /nfs/dbraw/zinc/92/28/15/357922815.db2.gz BGFNIWQSEQZTHQ-UHFFFAOYSA-N 1 2 242.348 0.413 20 0 BCADLO O=C1C[C@H](CNc2cc(NC3CC3)nc[nH+]2)CN1 ZINC000583739669 357931670 /nfs/dbraw/zinc/93/16/70/357931670.db2.gz LEDZNUQLBWQHBN-MRVPVSSYSA-N 1 2 247.302 0.599 20 0 BCADLO O=C1C[C@H](CNc2cc(NC3CC3)[nH+]cn2)CN1 ZINC000583739669 357931671 /nfs/dbraw/zinc/93/16/71/357931671.db2.gz LEDZNUQLBWQHBN-MRVPVSSYSA-N 1 2 247.302 0.599 20 0 BCADLO O=C1C[C@@H](CNc2cc(NC3CC3)nc[nH+]2)CN1 ZINC000583739670 357931682 /nfs/dbraw/zinc/93/16/82/357931682.db2.gz LEDZNUQLBWQHBN-QMMMGPOBSA-N 1 2 247.302 0.599 20 0 BCADLO O=C1C[C@@H](CNc2cc(NC3CC3)[nH+]cn2)CN1 ZINC000583739670 357931683 /nfs/dbraw/zinc/93/16/83/357931683.db2.gz LEDZNUQLBWQHBN-QMMMGPOBSA-N 1 2 247.302 0.599 20 0 BCADLO CC[C@@H](CCO)Nc1nc[nH+]c(N)c1OC ZINC000218551402 357964890 /nfs/dbraw/zinc/96/48/90/357964890.db2.gz GZDZGRUJPLPEFH-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@@H](CCO)Nc1[nH+]cnc(N)c1OC ZINC000218551402 357964894 /nfs/dbraw/zinc/96/48/94/357964894.db2.gz GZDZGRUJPLPEFH-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO C[C@]12C[N@H+](CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000639945240 357970390 /nfs/dbraw/zinc/97/03/90/357970390.db2.gz SQQWNKXVRPPZPN-AOOOYVTPSA-N 1 2 232.230 0.236 20 0 BCADLO C[C@]12C[N@@H+](CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000639945240 357970392 /nfs/dbraw/zinc/97/03/92/357970392.db2.gz SQQWNKXVRPPZPN-AOOOYVTPSA-N 1 2 232.230 0.236 20 0 BCADLO CC[C@@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000219116254 357979230 /nfs/dbraw/zinc/97/92/30/357979230.db2.gz GYAGUGYSXSZBPU-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000219116254 357979233 /nfs/dbraw/zinc/97/92/33/357979233.db2.gz GYAGUGYSXSZBPU-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000584478385 357996368 /nfs/dbraw/zinc/99/63/68/357996368.db2.gz QWNRNWSYHPPGKZ-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000584478385 357996371 /nfs/dbraw/zinc/99/63/71/357996371.db2.gz QWNRNWSYHPPGKZ-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604443 358015810 /nfs/dbraw/zinc/01/58/10/358015810.db2.gz SIZRZDFCKNVUQZ-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604443 358015814 /nfs/dbraw/zinc/01/58/14/358015814.db2.gz SIZRZDFCKNVUQZ-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000639968039 358021212 /nfs/dbraw/zinc/02/12/12/358021212.db2.gz PSLUEQFGCYQQCE-VIFPVBQESA-N 1 2 236.319 0.817 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000639968039 358021217 /nfs/dbraw/zinc/02/12/17/358021217.db2.gz PSLUEQFGCYQQCE-VIFPVBQESA-N 1 2 236.319 0.817 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000639968890 358021821 /nfs/dbraw/zinc/02/18/21/358021821.db2.gz VZGSXAXPMGYZIX-GFCCVEGCSA-N 1 2 249.318 0.408 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000639968890 358021825 /nfs/dbraw/zinc/02/18/25/358021825.db2.gz VZGSXAXPMGYZIX-GFCCVEGCSA-N 1 2 249.318 0.408 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)N(C)C ZINC000639968440 358021989 /nfs/dbraw/zinc/02/19/89/358021989.db2.gz RLLRVYNZFGPYJF-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)N(C)C ZINC000639968440 358021991 /nfs/dbraw/zinc/02/19/91/358021991.db2.gz RLLRVYNZFGPYJF-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639971669 358031639 /nfs/dbraw/zinc/03/16/39/358031639.db2.gz UIKPJKFQQABFAO-LBPRGKRZSA-N 1 2 241.335 0.937 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639971669 358031643 /nfs/dbraw/zinc/03/16/43/358031643.db2.gz UIKPJKFQQABFAO-LBPRGKRZSA-N 1 2 241.335 0.937 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662176 358047525 /nfs/dbraw/zinc/04/75/25/358047525.db2.gz SJWDASHLHQZIJL-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662176 358047527 /nfs/dbraw/zinc/04/75/27/358047527.db2.gz SJWDASHLHQZIJL-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO CC1(C(N)=O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000583868888 358058921 /nfs/dbraw/zinc/05/89/21/358058921.db2.gz OPECDDVWIPZNQA-UHFFFAOYSA-N 1 2 242.282 0.941 20 0 BCADLO CCc1cc(N[C@@H](C(N)=O)C(C)C)nc[nH+]1 ZINC000229782123 491120088 /nfs/dbraw/zinc/12/00/88/491120088.db2.gz SYYPOFUCRMVAJK-SNVBAGLBSA-N 1 2 222.292 0.961 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]2COCC[C@H]21 ZINC000584563371 358064482 /nfs/dbraw/zinc/06/44/82/358064482.db2.gz FUURRUFFQYNPOW-NWDGAFQWSA-N 1 2 249.314 0.911 20 0 BCADLO CO[C@H]1C[N@H+](Cc2noc(C)n2)[C@@](C)(CO)C1 ZINC000640009836 358075874 /nfs/dbraw/zinc/07/58/74/358075874.db2.gz PZHBIJBFWITSKV-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2noc(C)n2)[C@@](C)(CO)C1 ZINC000640009836 358075878 /nfs/dbraw/zinc/07/58/78/358075878.db2.gz PZHBIJBFWITSKV-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C(C)C ZINC000037887890 358096800 /nfs/dbraw/zinc/09/68/00/358096800.db2.gz TXOXHXSAXDFHGQ-GHMZBOCLSA-N 1 2 247.335 0.560 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](CCO)C2)no1 ZINC000051916618 358100508 /nfs/dbraw/zinc/10/05/08/358100508.db2.gz VMGKVALJESLVBK-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](CCO)C2)no1 ZINC000051916618 358100509 /nfs/dbraw/zinc/10/05/09/358100509.db2.gz VMGKVALJESLVBK-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171078845 134256912 /nfs/dbraw/zinc/25/69/12/134256912.db2.gz VQARGKNNGFVFKE-GXSJLCMTSA-N 1 2 236.319 0.853 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171078845 134256913 /nfs/dbraw/zinc/25/69/13/134256913.db2.gz VQARGKNNGFVFKE-GXSJLCMTSA-N 1 2 236.319 0.853 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)C)C(C)(C)C ZINC000610737148 358130397 /nfs/dbraw/zinc/13/03/97/358130397.db2.gz ZLIMAGRAVNYYII-JTQLQIEISA-N 1 2 244.335 0.642 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000610769519 358149094 /nfs/dbraw/zinc/14/90/94/358149094.db2.gz IZFDVYMCZHWEEI-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nncn3C)C2)c1 ZINC000584689421 358152788 /nfs/dbraw/zinc/15/27/88/358152788.db2.gz MNKUJFXDSVMHQK-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3nncn3C)C2)c1 ZINC000584689421 358152792 /nfs/dbraw/zinc/15/27/92/358152792.db2.gz MNKUJFXDSVMHQK-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640039588 358137905 /nfs/dbraw/zinc/13/79/05/358137905.db2.gz GBURNGUGEBLZOM-UHFFFAOYSA-N 1 2 244.245 0.733 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC(C)(F)CC2)C1=O ZINC000640071442 358162149 /nfs/dbraw/zinc/16/21/49/358162149.db2.gz NDXQALCJHPCHSP-SECBINFHSA-N 1 2 230.283 0.973 20 0 BCADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CC=C(C)C ZINC000640120899 358198956 /nfs/dbraw/zinc/19/89/56/358198956.db2.gz IAVDKHARYVJYNP-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CC=C(C)C ZINC000640120899 358198960 /nfs/dbraw/zinc/19/89/60/358198960.db2.gz IAVDKHARYVJYNP-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CC[C@](C)([NH2+]CC1(C(=O)OC)CC1)C(=O)OC ZINC000450661993 202228376 /nfs/dbraw/zinc/22/83/76/202228376.db2.gz VSOJKBQYAPFYPU-NSHDSACASA-N 1 2 243.303 0.871 20 0 BCADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640127481 358206177 /nfs/dbraw/zinc/20/61/77/358206177.db2.gz ZJHDMZFFMFXONZ-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640127481 358206180 /nfs/dbraw/zinc/20/61/80/358206180.db2.gz ZJHDMZFFMFXONZ-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO COCCC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610826739 358207080 /nfs/dbraw/zinc/20/70/80/358207080.db2.gz OHLPSPGNFHVFKN-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO COCCC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610826739 358207085 /nfs/dbraw/zinc/20/70/85/358207085.db2.gz OHLPSPGNFHVFKN-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO CC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829473 358210763 /nfs/dbraw/zinc/21/07/63/358210763.db2.gz ZIAUQSOALRYUJE-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO CC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829473 358210764 /nfs/dbraw/zinc/21/07/64/358210764.db2.gz ZIAUQSOALRYUJE-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)o1 ZINC000547523080 325368856 /nfs/dbraw/zinc/36/88/56/325368856.db2.gz GZOBTJYEYZUJGA-IUCAKERBSA-N 1 2 226.276 0.165 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H](O)C[C@H]2CO)o1 ZINC000547523080 325368859 /nfs/dbraw/zinc/36/88/59/325368859.db2.gz GZOBTJYEYZUJGA-IUCAKERBSA-N 1 2 226.276 0.165 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000450752683 202256694 /nfs/dbraw/zinc/25/66/94/202256694.db2.gz GOUYKLLRSYBSLD-RYUDHWBXSA-N 1 2 241.331 0.827 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000450752683 202256698 /nfs/dbraw/zinc/25/66/98/202256698.db2.gz GOUYKLLRSYBSLD-RYUDHWBXSA-N 1 2 241.331 0.827 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000041567936 358333279 /nfs/dbraw/zinc/33/32/79/358333279.db2.gz ACUYVOYFXLUTEO-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCF ZINC000134737111 325374522 /nfs/dbraw/zinc/37/45/22/325374522.db2.gz WVHAQGYDMDJCRM-VIFPVBQESA-N 1 2 228.271 0.930 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124814893 491128648 /nfs/dbraw/zinc/12/86/48/491128648.db2.gz XZIJRLLXQUUBIW-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124814893 491128649 /nfs/dbraw/zinc/12/86/49/491128649.db2.gz XZIJRLLXQUUBIW-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000173453104 134274167 /nfs/dbraw/zinc/27/41/67/134274167.db2.gz XCLZDGOTFFANOP-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000173453104 134274168 /nfs/dbraw/zinc/27/41/68/134274168.db2.gz XCLZDGOTFFANOP-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO O=C(CC1CCC1)NCC[NH+]1CCOCC1 ZINC000173044211 134272134 /nfs/dbraw/zinc/27/21/34/134272134.db2.gz PPEJVFDXOOTTBB-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)C[S@](C)=O ZINC000229092224 358345350 /nfs/dbraw/zinc/34/53/50/358345350.db2.gz IZRIPUGIBSEPCB-MUCOVADDSA-N 1 2 244.320 0.246 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CCCCCO ZINC000227159975 358350835 /nfs/dbraw/zinc/35/08/35/358350835.db2.gz JMSOCMIXYSHPKW-UHFFFAOYSA-N 1 2 240.307 0.666 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CCCCCO ZINC000227159975 358350837 /nfs/dbraw/zinc/35/08/37/358350837.db2.gz JMSOCMIXYSHPKW-UHFFFAOYSA-N 1 2 240.307 0.666 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCCc1cnn(C)c1 ZINC000104690359 358335015 /nfs/dbraw/zinc/33/50/15/358335015.db2.gz JGHZZGQTXYHVAA-JTQLQIEISA-N 1 2 236.319 0.173 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCCc1cnn(C)c1 ZINC000104690359 358335017 /nfs/dbraw/zinc/33/50/17/358335017.db2.gz JGHZZGQTXYHVAA-JTQLQIEISA-N 1 2 236.319 0.173 20 0 BCADLO CN(C)S(=O)(=O)CC[NH2+]Cc1nccs1 ZINC000230988718 491131115 /nfs/dbraw/zinc/13/11/15/491131115.db2.gz NGWHMLTXTRTZAT-UHFFFAOYSA-N 1 2 249.361 0.124 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000180369168 366435582 /nfs/dbraw/zinc/43/55/82/366435582.db2.gz PTNOTZGPCLHYFS-UHFFFAOYSA-N 1 2 246.270 0.791 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000124772257 491131882 /nfs/dbraw/zinc/13/18/82/491131882.db2.gz OGLVBRIGJMUIHD-DTWKUNHWSA-N 1 2 245.348 0.884 20 0 BCADLO FC(F)(F)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173929423 134276646 /nfs/dbraw/zinc/27/66/46/134276646.db2.gz YEVJPGNVNIIMFC-VIFPVBQESA-N 1 2 238.253 0.955 20 0 BCADLO Cc1nc(CC[NH2+]Cc2ccon2)n[nH]1 ZINC000634974740 491132103 /nfs/dbraw/zinc/13/21/03/491132103.db2.gz JFZYEFWISZCJHS-UHFFFAOYSA-N 1 2 207.237 0.433 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2ccon2)[nH]1 ZINC000634974740 491132104 /nfs/dbraw/zinc/13/21/04/491132104.db2.gz JFZYEFWISZCJHS-UHFFFAOYSA-N 1 2 207.237 0.433 20 0 BCADLO C[C@H]1CN(C(=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173803648 134277411 /nfs/dbraw/zinc/27/74/11/134277411.db2.gz RUFYUBXDTWCQGS-CMPLNLGQSA-N 1 2 238.331 0.576 20 0 BCADLO NC(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640154166 358438192 /nfs/dbraw/zinc/43/81/92/358438192.db2.gz WVQMVWJXJSXSAN-VIFPVBQESA-N 1 2 214.215 0.911 20 0 BCADLO CS[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000611050654 358550469 /nfs/dbraw/zinc/55/04/69/358550469.db2.gz GAQHKWWMZUGFSZ-MRVPVSSYSA-N 1 2 213.306 0.751 20 0 BCADLO Cn1ccc(C(=O)NCCn2cc[nH+]c2)cc1=O ZINC000044602258 358551291 /nfs/dbraw/zinc/55/12/91/358551291.db2.gz OKWFQOMJDNLEJQ-UHFFFAOYSA-N 1 2 246.270 0.012 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2nccs2)C1 ZINC000174465367 134281804 /nfs/dbraw/zinc/28/18/04/134281804.db2.gz ACLXIQXRDULDNH-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2nccs2)C1 ZINC000174465367 134281805 /nfs/dbraw/zinc/28/18/05/134281805.db2.gz ACLXIQXRDULDNH-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO CC[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH]cc[nH+]1 ZINC000385503702 358575513 /nfs/dbraw/zinc/57/55/13/358575513.db2.gz FQNLVTYFVVDBOX-QCLAVDOMSA-N 1 2 235.287 0.869 20 0 BCADLO COC[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000130031139 358605455 /nfs/dbraw/zinc/60/54/55/358605455.db2.gz FSUPHIRIXFWBSZ-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO CO[C@@H](C(=O)NCCc1c[nH+]cn1C)C(C)C ZINC000547804325 325400628 /nfs/dbraw/zinc/40/06/28/325400628.db2.gz JYULTCVPGMYTHE-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)NCC(F)F)c1 ZINC000640195597 358626568 /nfs/dbraw/zinc/62/65/68/358626568.db2.gz XCZLKJOSOSDDAQ-UHFFFAOYSA-N 1 2 232.234 0.527 20 0 BCADLO CCCC[C@H]([NH2+]CCCNC(C)=O)C(=O)OC ZINC000135152462 325397241 /nfs/dbraw/zinc/39/72/41/325397241.db2.gz BWQYOOBWNLPQEO-NSHDSACASA-N 1 2 244.335 0.834 20 0 BCADLO CCc1nc(C[N@@H+]2CCCC[C@H]2CO)no1 ZINC000048743320 358652411 /nfs/dbraw/zinc/65/24/11/358652411.db2.gz TWXFAUDCUXVOFX-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCCC[C@H]2CO)no1 ZINC000048743320 358652416 /nfs/dbraw/zinc/65/24/16/358652416.db2.gz TWXFAUDCUXVOFX-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)C1CC1 ZINC000175299004 134286930 /nfs/dbraw/zinc/28/69/30/134286930.db2.gz NNGYBUCNFJVLHM-LLVKDONJSA-N 1 2 240.347 0.823 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131099451 358659117 /nfs/dbraw/zinc/65/91/17/358659117.db2.gz ACIMCUNYCQCLCF-UHFFFAOYSA-N 1 2 243.351 0.441 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131099451 358659120 /nfs/dbraw/zinc/65/91/20/358659120.db2.gz ACIMCUNYCQCLCF-UHFFFAOYSA-N 1 2 243.351 0.441 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000131291697 358668062 /nfs/dbraw/zinc/66/80/62/358668062.db2.gz UOBQZZYRBJDCDL-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000131291697 358668064 /nfs/dbraw/zinc/66/80/64/358668064.db2.gz UOBQZZYRBJDCDL-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(N)=O ZINC000049237243 358676964 /nfs/dbraw/zinc/67/69/64/358676964.db2.gz ZNOSVWWYVFUELW-UWVGGRQHSA-N 1 2 241.335 0.193 20 0 BCADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(N)=O ZINC000049237243 358676969 /nfs/dbraw/zinc/67/69/69/358676969.db2.gz ZNOSVWWYVFUELW-UWVGGRQHSA-N 1 2 241.335 0.193 20 0 BCADLO Cn1cc(CNC(=O)NCCn2cc[nH+]c2)cn1 ZINC000049371030 358684200 /nfs/dbraw/zinc/68/42/00/358684200.db2.gz WJVPQOPDCAXJHP-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCO ZINC000131737795 358691897 /nfs/dbraw/zinc/69/18/97/358691897.db2.gz ZUSGJWAUAGSRTN-LLVKDONJSA-N 1 2 210.277 0.391 20 0 BCADLO Cn1cccc1[C@H]1COCC[N@H+]1CCO ZINC000131737795 358691902 /nfs/dbraw/zinc/69/19/02/358691902.db2.gz ZUSGJWAUAGSRTN-LLVKDONJSA-N 1 2 210.277 0.391 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000175918613 134288182 /nfs/dbraw/zinc/28/81/82/134288182.db2.gz JFQPTUQIMJDOAR-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000175918613 134288183 /nfs/dbraw/zinc/28/81/83/134288183.db2.gz JFQPTUQIMJDOAR-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1Cc1cnc(N)s1 ZINC000219784997 134290932 /nfs/dbraw/zinc/29/09/32/134290932.db2.gz QMRFLMGZYRLNRL-QMMMGPOBSA-N 1 2 226.349 0.861 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1Cc1cnc(N)s1 ZINC000219784997 134290933 /nfs/dbraw/zinc/29/09/33/134290933.db2.gz QMRFLMGZYRLNRL-QMMMGPOBSA-N 1 2 226.349 0.861 20 0 BCADLO CC(C)(C)c1noc(C[NH+](CCO)CCO)n1 ZINC000050103315 358714690 /nfs/dbraw/zinc/71/46/90/358714690.db2.gz NZIJWRSOKPNLTI-UHFFFAOYSA-N 1 2 243.307 0.154 20 0 BCADLO C[N@H+](CCO)Cc1nc(-c2ccccn2)no1 ZINC000050104598 358716493 /nfs/dbraw/zinc/71/64/93/358716493.db2.gz KPILJIYOVDRTGA-UHFFFAOYSA-N 1 2 234.259 0.556 20 0 BCADLO C[N@@H+](CCO)Cc1nc(-c2ccccn2)no1 ZINC000050104598 358716496 /nfs/dbraw/zinc/71/64/96/358716496.db2.gz KPILJIYOVDRTGA-UHFFFAOYSA-N 1 2 234.259 0.556 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1nncn1C ZINC000050419588 358730286 /nfs/dbraw/zinc/73/02/86/358730286.db2.gz WQWFJSDRCNZHSA-SECBINFHSA-N 1 2 239.323 0.334 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1(CO)CC1 ZINC000617898688 358741850 /nfs/dbraw/zinc/74/18/50/358741850.db2.gz IYPONXRNNGAGER-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1(CO)CC1 ZINC000617898688 358741852 /nfs/dbraw/zinc/74/18/52/358741852.db2.gz IYPONXRNNGAGER-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(N1CCOCC1)N1CCn2cc[nH+]c2C1 ZINC000134902668 358810112 /nfs/dbraw/zinc/81/01/12/358810112.db2.gz GYIKGLARYLSJGS-UHFFFAOYSA-N 1 2 236.275 0.151 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135546603 358844580 /nfs/dbraw/zinc/84/45/80/358844580.db2.gz ARUWZIQKNHCBQH-DTWKUNHWSA-N 1 2 231.317 0.366 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135546603 358844582 /nfs/dbraw/zinc/84/45/82/358844582.db2.gz ARUWZIQKNHCBQH-DTWKUNHWSA-N 1 2 231.317 0.366 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135590762 358845573 /nfs/dbraw/zinc/84/55/73/358845573.db2.gz CHZQROSUXVITDD-SNVBAGLBSA-N 1 2 236.319 0.475 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135590762 358845574 /nfs/dbraw/zinc/84/55/74/358845574.db2.gz CHZQROSUXVITDD-SNVBAGLBSA-N 1 2 236.319 0.475 20 0 BCADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(N)=O ZINC000135600781 358845830 /nfs/dbraw/zinc/84/58/30/358845830.db2.gz QWTVHRMLISFHLE-VIFPVBQESA-N 1 2 222.292 0.215 20 0 BCADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(N)=O ZINC000135600781 358845833 /nfs/dbraw/zinc/84/58/33/358845833.db2.gz QWTVHRMLISFHLE-VIFPVBQESA-N 1 2 222.292 0.215 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C)C1 ZINC000054172716 358855397 /nfs/dbraw/zinc/85/53/97/358855397.db2.gz SNXHSQNMVASDCF-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C)C1 ZINC000054172716 358855403 /nfs/dbraw/zinc/85/54/03/358855403.db2.gz SNXHSQNMVASDCF-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CON(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135911435 358856436 /nfs/dbraw/zinc/85/64/36/358856436.db2.gz ABHVUXJMFNBDRH-MRVPVSSYSA-N 1 2 209.249 0.465 20 0 BCADLO C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CC2)[C@H]1C ZINC000633207182 358872736 /nfs/dbraw/zinc/87/27/36/358872736.db2.gz GKZRCCIJCNKUCG-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCOCC1 ZINC000059322168 358919305 /nfs/dbraw/zinc/91/93/05/358919305.db2.gz FZUDIQILHUMPKA-JTQLQIEISA-N 1 2 238.291 0.313 20 0 BCADLO CSCC[N@H+](C)CC(=O)Nc1nncs1 ZINC000138212653 358903875 /nfs/dbraw/zinc/90/38/75/358903875.db2.gz WFAOMJUCMMWPQU-UHFFFAOYSA-N 1 2 246.361 0.771 20 0 BCADLO CSCC[N@@H+](C)CC(=O)Nc1nncs1 ZINC000138212653 358903876 /nfs/dbraw/zinc/90/38/76/358903876.db2.gz WFAOMJUCMMWPQU-UHFFFAOYSA-N 1 2 246.361 0.771 20 0 BCADLO CC[C@H](NC(=O)Cn1cccn1)c1[nH]cc[nH+]1 ZINC000140567732 358923740 /nfs/dbraw/zinc/92/37/40/358923740.db2.gz SXHHXINVRVSMOE-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)C(N)=O)ccn12 ZINC000578335373 366524267 /nfs/dbraw/zinc/52/42/67/366524267.db2.gz GAKYXCBXJCSUFG-MRVPVSSYSA-N 1 2 246.270 0.246 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000618715734 358942404 /nfs/dbraw/zinc/94/24/04/358942404.db2.gz YFZPZTWRXSLCIC-GXFFZTMASA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000618715734 358942405 /nfs/dbraw/zinc/94/24/05/358942405.db2.gz YFZPZTWRXSLCIC-GXFFZTMASA-N 1 2 249.314 0.837 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000618715735 358942560 /nfs/dbraw/zinc/94/25/60/358942560.db2.gz YFZPZTWRXSLCIC-MFKMUULPSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000618715735 358942564 /nfs/dbraw/zinc/94/25/64/358942564.db2.gz YFZPZTWRXSLCIC-MFKMUULPSA-N 1 2 249.314 0.837 20 0 BCADLO CC(C)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000069688243 359033095 /nfs/dbraw/zinc/03/30/95/359033095.db2.gz LRDSAUDABKAOEF-LLVKDONJSA-N 1 2 228.336 0.415 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCCCO1 ZINC000069864312 359035955 /nfs/dbraw/zinc/03/59/55/359035955.db2.gz XAJMDMZHHTWRBV-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000069864312 359035957 /nfs/dbraw/zinc/03/59/57/359035957.db2.gz XAJMDMZHHTWRBV-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccc(=O)[nH]c1 ZINC000071140282 359072321 /nfs/dbraw/zinc/07/23/21/359072321.db2.gz GJXWFCSMTHRTHN-UHFFFAOYSA-N 1 2 232.243 0.038 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cncc(O)c1 ZINC000071203135 359074100 /nfs/dbraw/zinc/07/41/00/359074100.db2.gz DIZULJXTIYUNSC-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO Cn1cc[nH+]c1CNc1ccnc(C(N)=O)c1 ZINC000071274397 359075118 /nfs/dbraw/zinc/07/51/18/359075118.db2.gz CAIOGNGCIHHDPP-UHFFFAOYSA-N 1 2 231.259 0.526 20 0 BCADLO CCN(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000071933723 359083038 /nfs/dbraw/zinc/08/30/38/359083038.db2.gz UICBBLYCXOOPLV-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCNC(=O)C[NH+](CC(=O)NCC)[C@H](C)CC ZINC000073787139 359105596 /nfs/dbraw/zinc/10/55/96/359105596.db2.gz HEFDYMNJKBBHCV-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCOCC[N@H+](C)[C@H](COCC)C(=O)OC ZINC000611208494 359109820 /nfs/dbraw/zinc/10/98/20/359109820.db2.gz NGDDGPPSKHMRRD-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOCC[N@@H+](C)[C@H](COCC)C(=O)OC ZINC000611208494 359109827 /nfs/dbraw/zinc/10/98/27/359109827.db2.gz NGDDGPPSKHMRRD-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000308855907 491139039 /nfs/dbraw/zinc/13/90/39/491139039.db2.gz OCDFFQLZCVJBHN-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(=O)[nH]c1 ZINC000070651643 359061758 /nfs/dbraw/zinc/06/17/58/359061758.db2.gz AWWHZAWSFIUJDW-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO CCn1cc(C[NH2+]Cc2nccn2C)cn1 ZINC000070853273 359065030 /nfs/dbraw/zinc/06/50/30/359065030.db2.gz PEQFTCFWTIGCEA-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000247007084 359183262 /nfs/dbraw/zinc/18/32/62/359183262.db2.gz MGATXTPRSQQVIP-PWSUYJOCSA-N 1 2 248.330 0.820 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000247007084 359183263 /nfs/dbraw/zinc/18/32/63/359183263.db2.gz MGATXTPRSQQVIP-PWSUYJOCSA-N 1 2 248.330 0.820 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](C)CO ZINC000611236277 359189656 /nfs/dbraw/zinc/18/96/56/359189656.db2.gz DSHMPNLZWBLEGI-VHSXEESVSA-N 1 2 233.308 0.125 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)CO ZINC000611236277 359189658 /nfs/dbraw/zinc/18/96/58/359189658.db2.gz DSHMPNLZWBLEGI-VHSXEESVSA-N 1 2 233.308 0.125 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246541761 359145506 /nfs/dbraw/zinc/14/55/06/359145506.db2.gz ARUWZIQKNHCBQH-BDAKNGLRSA-N 1 2 231.317 0.366 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246541761 359145510 /nfs/dbraw/zinc/14/55/10/359145510.db2.gz ARUWZIQKNHCBQH-BDAKNGLRSA-N 1 2 231.317 0.366 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246599516 359150053 /nfs/dbraw/zinc/15/00/53/359150053.db2.gz ZMJIMVYSVCQWJA-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246599516 359150055 /nfs/dbraw/zinc/15/00/55/359150055.db2.gz ZMJIMVYSVCQWJA-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246874488 359172395 /nfs/dbraw/zinc/17/23/95/359172395.db2.gz MLRVWAITQZYTOV-GDNZZTSVSA-N 1 2 238.331 0.481 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000247960177 359250130 /nfs/dbraw/zinc/25/01/30/359250130.db2.gz QDKGANNPRKGDOJ-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000247960177 359250137 /nfs/dbraw/zinc/25/01/37/359250137.db2.gz QDKGANNPRKGDOJ-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000611249336 359272511 /nfs/dbraw/zinc/27/25/11/359272511.db2.gz HPMURKRXWUIXHC-UHFFFAOYSA-N 1 2 211.265 0.713 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000611249336 359272513 /nfs/dbraw/zinc/27/25/13/359272513.db2.gz HPMURKRXWUIXHC-UHFFFAOYSA-N 1 2 211.265 0.713 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000611346875 359327028 /nfs/dbraw/zinc/32/70/28/359327028.db2.gz NWDDAMXRMAFUOS-UHFFFAOYSA-N 1 2 229.305 0.841 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000611346875 359327030 /nfs/dbraw/zinc/32/70/30/359327030.db2.gz NWDDAMXRMAFUOS-UHFFFAOYSA-N 1 2 229.305 0.841 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1cn[nH]c1C ZINC000308924550 491140297 /nfs/dbraw/zinc/14/02/97/491140297.db2.gz HWCNXTNHQPLNKT-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502138 359384916 /nfs/dbraw/zinc/38/49/16/359384916.db2.gz NWZNMQZUTDJOGU-DTWKUNHWSA-N 1 2 245.298 0.512 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502138 359384921 /nfs/dbraw/zinc/38/49/21/359384921.db2.gz NWZNMQZUTDJOGU-DTWKUNHWSA-N 1 2 245.298 0.512 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502140 359385217 /nfs/dbraw/zinc/38/52/17/359385217.db2.gz NWZNMQZUTDJOGU-RKDXNWHRSA-N 1 2 245.298 0.512 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502140 359385220 /nfs/dbraw/zinc/38/52/20/359385220.db2.gz NWZNMQZUTDJOGU-RKDXNWHRSA-N 1 2 245.298 0.512 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(F)F ZINC000611729500 359435399 /nfs/dbraw/zinc/43/53/99/359435399.db2.gz BPTYSVPNKWFEOX-RNFRBKRXSA-N 1 2 229.230 0.905 20 0 BCADLO COC(=O)[C@@H](C1CC1)N1CCn2cc(C)[nH+]c2C1 ZINC000611802199 359450514 /nfs/dbraw/zinc/45/05/14/359450514.db2.gz RGMJXXRDCJADOO-GFCCVEGCSA-N 1 2 249.314 0.959 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@@H](C)OC ZINC000611790179 359452183 /nfs/dbraw/zinc/45/21/83/359452183.db2.gz KOBBCBGAKZFHEH-MNOVXSKESA-N 1 2 247.335 0.920 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@@H](C)OC ZINC000611790179 359452190 /nfs/dbraw/zinc/45/21/90/359452190.db2.gz KOBBCBGAKZFHEH-MNOVXSKESA-N 1 2 247.335 0.920 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)OC ZINC000611792313 359452302 /nfs/dbraw/zinc/45/23/02/359452302.db2.gz KMAXLAZCBGSTPE-ZJUUUORDSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)OC ZINC000611792313 359452303 /nfs/dbraw/zinc/45/23/03/359452303.db2.gz KMAXLAZCBGSTPE-ZJUUUORDSA-N 1 2 233.308 0.531 20 0 BCADLO COCn1ccc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000611796408 359452437 /nfs/dbraw/zinc/45/24/37/359452437.db2.gz YVRATTYUFJWYIU-UHFFFAOYSA-N 1 2 249.274 0.449 20 0 BCADLO CCn1cnc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000611796109 359452611 /nfs/dbraw/zinc/45/26/11/359452611.db2.gz WRQYTZATZFIEHO-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO Cc1nnc(C(=O)NCc2[nH]c[nH+]c2C)s1 ZINC000611796150 359452932 /nfs/dbraw/zinc/45/29/32/359452932.db2.gz XEVLGGULJXGOHJ-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611960671 359507661 /nfs/dbraw/zinc/50/76/61/359507661.db2.gz AVJNETKWDNPKKX-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611960671 359507668 /nfs/dbraw/zinc/50/76/68/359507668.db2.gz AVJNETKWDNPKKX-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO O=S1(=O)CC(CCNc2cccc[nH+]2)C1 ZINC000308939672 491140729 /nfs/dbraw/zinc/14/07/29/491140729.db2.gz PNRFHAYGOQARPN-UHFFFAOYSA-N 1 2 226.301 0.928 20 0 BCADLO O=C1CCC[C@@H](C[NH2+]Cc2ccn[nH]2)N1 ZINC000308946612 491140853 /nfs/dbraw/zinc/14/08/53/491140853.db2.gz SKHIPJAPCROQQZ-QMMMGPOBSA-N 1 2 208.265 0.168 20 0 BCADLO [NH3+][C@H](C(=O)N1CCCC1)c1cscn1 ZINC000580439359 359549172 /nfs/dbraw/zinc/54/91/72/359549172.db2.gz WNGGZNQNIUXCFB-QMMMGPOBSA-N 1 2 211.290 0.765 20 0 BCADLO CO[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000450819484 202275708 /nfs/dbraw/zinc/27/57/08/202275708.db2.gz KWQQLBWBKOISNZ-CHWSQXEVSA-N 1 2 245.282 0.826 20 0 BCADLO CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000450826281 202279123 /nfs/dbraw/zinc/27/91/23/202279123.db2.gz ZLPJGAROCYMFKD-GHMZBOCLSA-N 1 2 237.303 0.598 20 0 BCADLO CNC(=O)NCCCNc1cccc[nH+]1 ZINC000046905884 359800475 /nfs/dbraw/zinc/80/04/75/359800475.db2.gz GGZRIZODEAQGKO-UHFFFAOYSA-N 1 2 208.265 0.813 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000578378828 366546525 /nfs/dbraw/zinc/54/65/25/366546525.db2.gz QCIXGGZIZVZCOW-UHFFFAOYSA-N 1 2 237.307 0.179 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000578512116 366584319 /nfs/dbraw/zinc/58/43/19/366584319.db2.gz PDWDROOGKCNMSK-MRVPVSSYSA-N 1 2 240.332 0.686 20 0 BCADLO Cc1nnsc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000578512116 366584326 /nfs/dbraw/zinc/58/43/26/366584326.db2.gz PDWDROOGKCNMSK-MRVPVSSYSA-N 1 2 240.332 0.686 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450988553 202329730 /nfs/dbraw/zinc/32/97/30/202329730.db2.gz OHVNSPHQKMPFRQ-RKDXNWHRSA-N 1 2 240.307 0.808 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450988553 202329734 /nfs/dbraw/zinc/32/97/34/202329734.db2.gz OHVNSPHQKMPFRQ-RKDXNWHRSA-N 1 2 240.307 0.808 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000451154992 202364752 /nfs/dbraw/zinc/36/47/52/202364752.db2.gz AATGILJVYJMNNU-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000451154992 202364753 /nfs/dbraw/zinc/36/47/53/202364753.db2.gz AATGILJVYJMNNU-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451139276 202365218 /nfs/dbraw/zinc/36/52/18/202365218.db2.gz NZWBSPVFMLMHMC-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451139276 202365221 /nfs/dbraw/zinc/36/52/21/202365221.db2.gz NZWBSPVFMLMHMC-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NCc1ccco1 ZINC000451181374 202369116 /nfs/dbraw/zinc/36/91/16/202369116.db2.gz FHGVSXGMMVRGEN-SECBINFHSA-N 1 2 226.251 0.940 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NCc1ccco1 ZINC000451181374 202369117 /nfs/dbraw/zinc/36/91/17/202369117.db2.gz FHGVSXGMMVRGEN-SECBINFHSA-N 1 2 226.251 0.940 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451120512 202358865 /nfs/dbraw/zinc/35/88/65/202358865.db2.gz LZRLBFRRYRWWAX-UHFFFAOYSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451120512 202358867 /nfs/dbraw/zinc/35/88/67/202358867.db2.gz LZRLBFRRYRWWAX-UHFFFAOYSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451129952 202363070 /nfs/dbraw/zinc/36/30/70/202363070.db2.gz KUCLDCKRYNEYSE-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451129952 202363073 /nfs/dbraw/zinc/36/30/73/202363073.db2.gz KUCLDCKRYNEYSE-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191933 202377296 /nfs/dbraw/zinc/37/72/96/202377296.db2.gz SHBVUOSIDAUQBD-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191933 202377298 /nfs/dbraw/zinc/37/72/98/202377298.db2.gz SHBVUOSIDAUQBD-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCOC[C@H](O)C1 ZINC000451237861 202384848 /nfs/dbraw/zinc/38/48/48/202384848.db2.gz XAXAVXQTYHVSAJ-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCOC[C@H](O)C1 ZINC000451237861 202384852 /nfs/dbraw/zinc/38/48/52/202384852.db2.gz XAXAVXQTYHVSAJ-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C[C@@H](C)O1 ZINC000451180399 202370957 /nfs/dbraw/zinc/37/09/57/202370957.db2.gz CVLMQCZQKQQFHU-GMTAPVOTSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C[C@@H](C)O1 ZINC000451180399 202370959 /nfs/dbraw/zinc/37/09/59/202370959.db2.gz CVLMQCZQKQQFHU-GMTAPVOTSA-N 1 2 244.310 0.666 20 0 BCADLO CC[N@H+](CC(=O)NC(C)(C)C)C1COC1 ZINC000451281553 202393634 /nfs/dbraw/zinc/39/36/34/202393634.db2.gz BBZSAVCLNVZCDX-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)(C)C)C1COC1 ZINC000451281553 202393635 /nfs/dbraw/zinc/39/36/35/202393635.db2.gz BBZSAVCLNVZCDX-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CC[N@H+](CC(=O)N(C)C1CC1)C1COC1 ZINC000451287337 202398206 /nfs/dbraw/zinc/39/82/06/202398206.db2.gz REQSWNPPXAEBTB-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C1CC1)C1COC1 ZINC000451287337 202398208 /nfs/dbraw/zinc/39/82/08/202398208.db2.gz REQSWNPPXAEBTB-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](O)C2)on1 ZINC000578664591 366623075 /nfs/dbraw/zinc/62/30/75/366623075.db2.gz RVHVUWKLLPKEQI-QMMMGPOBSA-N 1 2 210.233 0.444 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@H](O)C2)on1 ZINC000578664591 366623078 /nfs/dbraw/zinc/62/30/78/366623078.db2.gz RVHVUWKLLPKEQI-QMMMGPOBSA-N 1 2 210.233 0.444 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCCC2=O)C1 ZINC000578547151 366597248 /nfs/dbraw/zinc/59/72/48/366597248.db2.gz WTYGMKJCCMKRDI-JTQLQIEISA-N 1 2 238.331 0.814 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000612637022 359958039 /nfs/dbraw/zinc/95/80/39/359958039.db2.gz WRGYMYKRIJTLFZ-LPEHRKFASA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)(C(=O)N[C@H]1C[C@@H](O)C1)c1c[nH]c[nH+]1 ZINC000612635191 359954359 /nfs/dbraw/zinc/95/43/59/359954359.db2.gz GRJGQZPCXZQVRV-OCAPTIKFSA-N 1 2 223.276 0.327 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612693746 360010694 /nfs/dbraw/zinc/01/06/94/360010694.db2.gz CSAJPBQWJNQMAI-MRVPVSSYSA-N 1 2 235.287 0.108 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612693746 360010699 /nfs/dbraw/zinc/01/06/99/360010699.db2.gz CSAJPBQWJNQMAI-MRVPVSSYSA-N 1 2 235.287 0.108 20 0 BCADLO Cn1cnnc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000169267130 360015888 /nfs/dbraw/zinc/01/58/88/360015888.db2.gz XZCNJANLYFWWJX-CYBMUJFWSA-N 1 2 246.314 0.812 20 0 BCADLO COCC1([N@H+](C)Cc2nccc(N)n2)CC1 ZINC000309270897 491146957 /nfs/dbraw/zinc/14/69/57/491146957.db2.gz LANZONITIOWRLC-UHFFFAOYSA-N 1 2 222.292 0.670 20 0 BCADLO COCC1([N@@H+](C)Cc2nccc(N)n2)CC1 ZINC000309270897 491146958 /nfs/dbraw/zinc/14/69/58/491146958.db2.gz LANZONITIOWRLC-UHFFFAOYSA-N 1 2 222.292 0.670 20 0 BCADLO CCS(=O)(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000090168238 360060078 /nfs/dbraw/zinc/06/00/78/360060078.db2.gz CQMPQHAVRSWBSU-VIFPVBQESA-N 1 2 243.332 0.446 20 0 BCADLO CC(C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658575 360081776 /nfs/dbraw/zinc/08/17/76/360081776.db2.gz UQVQTHIDQMYDFL-UHFFFAOYSA-N 1 2 210.281 0.053 20 0 BCADLO CC(C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658575 360081781 /nfs/dbraw/zinc/08/17/81/360081781.db2.gz UQVQTHIDQMYDFL-UHFFFAOYSA-N 1 2 210.281 0.053 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](CCC(C)(C)C)C2 ZINC000090662088 360082135 /nfs/dbraw/zinc/08/21/35/360082135.db2.gz OGRUUUBVOFSLIW-UHFFFAOYSA-N 1 2 238.335 0.834 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](CCC(C)(C)C)C2 ZINC000090662088 360082139 /nfs/dbraw/zinc/08/21/39/360082139.db2.gz OGRUUUBVOFSLIW-UHFFFAOYSA-N 1 2 238.335 0.834 20 0 BCADLO CCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698413 360084234 /nfs/dbraw/zinc/08/42/34/360084234.db2.gz QTHIRPVOCNORTE-LLVKDONJSA-N 1 2 225.336 0.293 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccn1C ZINC000092042551 360147298 /nfs/dbraw/zinc/14/72/98/360147298.db2.gz GEFXHBNRRPDVJG-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccn1C ZINC000092042551 360147301 /nfs/dbraw/zinc/14/73/01/360147301.db2.gz GEFXHBNRRPDVJG-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091579300 360117178 /nfs/dbraw/zinc/11/71/78/360117178.db2.gz RNUCUUOCCBHFBZ-RQJHMYQMSA-N 1 2 228.321 0.424 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091579300 360117181 /nfs/dbraw/zinc/11/71/81/360117181.db2.gz RNUCUUOCCBHFBZ-RQJHMYQMSA-N 1 2 228.321 0.424 20 0 BCADLO CC[C@H](C)C[N@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091589316 360120671 /nfs/dbraw/zinc/12/06/71/360120671.db2.gz PWRTTZNRCHPTCM-QMMMGPOBSA-N 1 2 212.297 0.966 20 0 BCADLO C[C@@H](NC[C@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000091667111 360122030 /nfs/dbraw/zinc/12/20/30/360122030.db2.gz ZSEKBSUNWPONRL-MNOVXSKESA-N 1 2 238.335 0.401 20 0 BCADLO C[C@@H](NC[C@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000091667111 360122033 /nfs/dbraw/zinc/12/20/33/360122033.db2.gz ZSEKBSUNWPONRL-MNOVXSKESA-N 1 2 238.335 0.401 20 0 BCADLO COCCN1CC[N@H+](CCOC(C)C)CC1=O ZINC000091828937 360131760 /nfs/dbraw/zinc/13/17/60/360131760.db2.gz JNQGEGHVUSOFGB-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCCN1CC[N@@H+](CCOC(C)C)CC1=O ZINC000091828937 360131761 /nfs/dbraw/zinc/13/17/61/360131761.db2.gz JNQGEGHVUSOFGB-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO c1[nH]c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000091927205 360136229 /nfs/dbraw/zinc/13/62/29/360136229.db2.gz YVNUDSFIKSYXBU-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H](CC(=O)N1CC[C@@]2(O)C[C@H]2C1)n1cc[nH+]c1 ZINC000618760462 360160153 /nfs/dbraw/zinc/16/01/53/360160153.db2.gz MDEILHVYHROORZ-NTZNESFSSA-N 1 2 249.314 0.818 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2ccon2)CC1 ZINC000578956474 366679994 /nfs/dbraw/zinc/67/99/94/366679994.db2.gz DXZAJXZGAFTUIV-UHFFFAOYSA-N 1 2 249.274 0.809 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612920753 360181627 /nfs/dbraw/zinc/18/16/27/360181627.db2.gz KYAZNDXNRKJPGC-RKDXNWHRSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612920753 360181629 /nfs/dbraw/zinc/18/16/29/360181629.db2.gz KYAZNDXNRKJPGC-RKDXNWHRSA-N 1 2 237.303 0.354 20 0 BCADLO CCCC[N@H+](CC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000612913062 360183868 /nfs/dbraw/zinc/18/38/68/360183868.db2.gz GAZITFFDMJPJIM-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO CCCC[N@@H+](CC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000612913062 360183871 /nfs/dbraw/zinc/18/38/71/360183871.db2.gz GAZITFFDMJPJIM-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000093278940 360224033 /nfs/dbraw/zinc/22/40/33/360224033.db2.gz WLDFEVHPAPUVCN-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000093278940 360224040 /nfs/dbraw/zinc/22/40/40/360224040.db2.gz WLDFEVHPAPUVCN-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1nc(C)ccc1O ZINC000133177906 491148030 /nfs/dbraw/zinc/14/80/30/491148030.db2.gz RGJRUDUVRPNVQD-UHFFFAOYSA-N 1 2 237.303 0.664 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1nc(C)ccc1O ZINC000133177906 491148031 /nfs/dbraw/zinc/14/80/31/491148031.db2.gz RGJRUDUVRPNVQD-UHFFFAOYSA-N 1 2 237.303 0.664 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccn(C)c1 ZINC000093384556 360237363 /nfs/dbraw/zinc/23/73/63/360237363.db2.gz WKWUHYBLNWCLPC-JTQLQIEISA-N 1 2 244.360 0.890 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccn(C)c1 ZINC000093384556 360237365 /nfs/dbraw/zinc/23/73/65/360237365.db2.gz WKWUHYBLNWCLPC-JTQLQIEISA-N 1 2 244.360 0.890 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H](O)C2CC2)C1 ZINC000613008873 360270852 /nfs/dbraw/zinc/27/08/52/360270852.db2.gz ODVAANOYKWKVFU-MNOVXSKESA-N 1 2 249.314 0.507 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1CO ZINC000613030457 360277499 /nfs/dbraw/zinc/27/74/99/360277499.db2.gz JGYAZHWVAYWKMX-PWSUYJOCSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614053571 363720173 /nfs/dbraw/zinc/72/01/73/363720173.db2.gz IQDUMWBALAAYOQ-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614053571 363720178 /nfs/dbraw/zinc/72/01/78/363720178.db2.gz IQDUMWBALAAYOQ-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000060038186 360425546 /nfs/dbraw/zinc/42/55/46/360425546.db2.gz JOCADWQGODCERX-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCOCC1(C)C ZINC000060038186 360425551 /nfs/dbraw/zinc/42/55/51/360425551.db2.gz JOCADWQGODCERX-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000633830654 360543331 /nfs/dbraw/zinc/54/33/31/360543331.db2.gz NRACGQNEUBAFJC-JTQLQIEISA-N 1 2 239.319 0.928 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000633830654 360543337 /nfs/dbraw/zinc/54/33/37/360543337.db2.gz NRACGQNEUBAFJC-JTQLQIEISA-N 1 2 239.319 0.928 20 0 BCADLO COc1cc(NC(=O)CCc2[nH]cc[nH+]2)[nH]n1 ZINC000628628636 360585767 /nfs/dbraw/zinc/58/57/67/360585767.db2.gz SSAYUFSTWJIWDX-UHFFFAOYSA-N 1 2 235.247 0.713 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCO2 ZINC000628790650 360655581 /nfs/dbraw/zinc/65/55/81/360655581.db2.gz VLIWQYJPXFIPSN-UHFFFAOYSA-N 1 2 235.287 0.354 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@@H](O)C(F)F ZINC000634000087 360722845 /nfs/dbraw/zinc/72/28/45/360722845.db2.gz MPDNQWUACVULIG-MRVPVSSYSA-N 1 2 247.245 0.406 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccsn1 ZINC000628912016 360744803 /nfs/dbraw/zinc/74/48/03/360744803.db2.gz AEXCUTNYEVOBRO-MRVPVSSYSA-N 1 2 241.316 0.204 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccsn1 ZINC000628912016 360744804 /nfs/dbraw/zinc/74/48/04/360744804.db2.gz AEXCUTNYEVOBRO-MRVPVSSYSA-N 1 2 241.316 0.204 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914012 360746311 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360748993 /nfs/dbraw/zinc/74/89/93/360748993.db2.gz FYZYUVMONCNCOP-SECBINFHSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC000628916867 360748995 /nfs/dbraw/zinc/74/89/95/360748995.db2.gz FYZYUVMONCNCOP-SECBINFHSA-N 1 2 248.273 0.479 20 0 BCADLO C=C/C(C)=C\CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915326 360749769 /nfs/dbraw/zinc/74/97/69/360749769.db2.gz QZHKXXSAKQDZFT-DKRCXCIFSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C(C)=C\CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915326 360749774 /nfs/dbraw/zinc/74/97/74/360749774.db2.gz QZHKXXSAKQDZFT-DKRCXCIFSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C(C)=C/CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915328 360750001 /nfs/dbraw/zinc/75/00/01/360750001.db2.gz QZHKXXSAKQDZFT-JVOXIWMLSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C(C)=C/CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915328 360750005 /nfs/dbraw/zinc/75/00/05/360750005.db2.gz QZHKXXSAKQDZFT-JVOXIWMLSA-N 1 2 238.331 0.956 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)ccn1 ZINC000628921059 360753818 /nfs/dbraw/zinc/75/38/18/360753818.db2.gz JIVAFAJHMXBNIN-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)ccn1 ZINC000628921059 360753824 /nfs/dbraw/zinc/75/38/24/360753824.db2.gz JIVAFAJHMXBNIN-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000628918334 360754133 /nfs/dbraw/zinc/75/41/33/360754133.db2.gz OAYVENDPDDSUEV-VHSXEESVSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000628918334 360754139 /nfs/dbraw/zinc/75/41/39/360754139.db2.gz OAYVENDPDDSUEV-VHSXEESVSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920997 360754489 /nfs/dbraw/zinc/75/44/89/360754489.db2.gz ZRTWJELHGAXWPP-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920997 360754495 /nfs/dbraw/zinc/75/44/95/360754495.db2.gz ZRTWJELHGAXWPP-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922744 360755267 /nfs/dbraw/zinc/75/52/67/360755267.db2.gz OEVCJZWRXFOQNC-ZJUUUORDSA-N 1 2 214.309 0.479 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922744 360755269 /nfs/dbraw/zinc/75/52/69/360755269.db2.gz OEVCJZWRXFOQNC-ZJUUUORDSA-N 1 2 214.309 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc[nH]1 ZINC000628926540 360757654 /nfs/dbraw/zinc/75/76/54/360757654.db2.gz RCYUWPZPVADLIP-SECBINFHSA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc[nH]1 ZINC000628926540 360757658 /nfs/dbraw/zinc/75/76/58/360757658.db2.gz RCYUWPZPVADLIP-SECBINFHSA-N 1 2 223.276 0.075 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccncc1 ZINC000628925691 360758338 /nfs/dbraw/zinc/75/83/38/360758338.db2.gz KXTOERPIDLJVID-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccncc1 ZINC000628925691 360758339 /nfs/dbraw/zinc/75/83/39/360758339.db2.gz KXTOERPIDLJVID-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC000628925865 360758467 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/nfs/dbraw/zinc/31/10/83/181311083.db2.gz ZUZJKFYGHKSYIS-UHFFFAOYSA-N 1 2 249.299 0.459 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629122992 360888465 /nfs/dbraw/zinc/88/84/65/360888465.db2.gz AFOXTUBEPMWDFM-CMPLNLGQSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629122992 360888471 /nfs/dbraw/zinc/88/84/71/360888471.db2.gz AFOXTUBEPMWDFM-CMPLNLGQSA-N 1 2 249.314 0.944 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629130331 360894443 /nfs/dbraw/zinc/89/44/43/360894443.db2.gz IKFQQLLDDDJGLY-NWDGAFQWSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCF ZINC000614177174 363746274 /nfs/dbraw/zinc/74/62/74/363746274.db2.gz CABWMCMPEAQHEN-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO CC1(NC(=O)c2ccc3[nH+]ccn3c2)COC1 ZINC000634189438 361015114 /nfs/dbraw/zinc/01/51/14/361015114.db2.gz VLKKKMJPKCGUNZ-UHFFFAOYSA-N 1 2 231.255 0.853 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640473438 361242963 /nfs/dbraw/zinc/24/29/63/361242963.db2.gz IDEBUUNCHLTACV-LDYMZIIASA-N 1 2 223.276 0.760 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640473438 361242967 /nfs/dbraw/zinc/24/29/67/361242967.db2.gz IDEBUUNCHLTACV-LDYMZIIASA-N 1 2 223.276 0.760 20 0 BCADLO Cn1cc(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640484731 361276923 /nfs/dbraw/zinc/27/69/23/361276923.db2.gz FATUFWONVVUTTB-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1cc(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640484731 361276926 /nfs/dbraw/zinc/27/69/26/361276926.db2.gz FATUFWONVVUTTB-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nccn1C(F)F)C2 ZINC000640479442 361259840 /nfs/dbraw/zinc/25/98/40/361259840.db2.gz RZDKNCWRBKVMKI-GMSGAONNSA-N 1 2 229.230 0.845 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nccn1C(F)F)C2 ZINC000640479442 361259841 /nfs/dbraw/zinc/25/98/41/361259841.db2.gz RZDKNCWRBKVMKI-GMSGAONNSA-N 1 2 229.230 0.845 20 0 BCADLO 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/nfs/dbraw/zinc/29/82/40/361298240.db2.gz VBCKKRROVOIKOD-LBPRGKRZSA-N 1 2 248.326 0.930 20 0 BCADLO Cc1nnc(C[N@H+](CC(C)(C)O)C2CC2)[nH]1 ZINC000428438519 201017803 /nfs/dbraw/zinc/01/78/03/201017803.db2.gz WNVAOHSYCMPLNN-UHFFFAOYSA-N 1 2 224.308 0.848 20 0 BCADLO Cc1nnc(C[N@@H+](CC(C)(C)O)C2CC2)[nH]1 ZINC000428438519 201017805 /nfs/dbraw/zinc/01/78/05/201017805.db2.gz WNVAOHSYCMPLNN-UHFFFAOYSA-N 1 2 224.308 0.848 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332997307 361328261 /nfs/dbraw/zinc/32/82/61/361328261.db2.gz FDJHIQNWARCRLX-GHMZBOCLSA-N 1 2 249.314 0.883 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000171077482 361320384 /nfs/dbraw/zinc/32/03/84/361320384.db2.gz WOESHYXHPIKOOQ-LLVKDONJSA-N 1 2 249.314 0.821 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000171077482 361320386 /nfs/dbraw/zinc/32/03/86/361320386.db2.gz WOESHYXHPIKOOQ-LLVKDONJSA-N 1 2 249.314 0.821 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCC[C@H]32)C1 ZINC000428512989 201025544 /nfs/dbraw/zinc/02/55/44/201025544.db2.gz CSMPAAOPUNTMGJ-UTUOFQBUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCC[C@H]32)C1 ZINC000428512989 201025546 /nfs/dbraw/zinc/02/55/46/201025546.db2.gz CSMPAAOPUNTMGJ-UTUOFQBUSA-N 1 2 238.331 0.718 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)CC[C@@H]1C ZINC000428500277 201026351 /nfs/dbraw/zinc/02/63/51/201026351.db2.gz YPYNADHJZMWCFD-WCBMZHEXSA-N 1 2 224.308 0.970 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)CC[C@@H]1C ZINC000428500277 201026352 /nfs/dbraw/zinc/02/63/52/201026352.db2.gz YPYNADHJZMWCFD-WCBMZHEXSA-N 1 2 224.308 0.970 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCC[C@@H]32)C1 ZINC000428512993 201026910 /nfs/dbraw/zinc/02/69/10/201026910.db2.gz CSMPAAOPUNTMGJ-WOPDTQHZSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCC[C@@H]32)C1 ZINC000428512993 201026912 /nfs/dbraw/zinc/02/69/12/201026912.db2.gz CSMPAAOPUNTMGJ-WOPDTQHZSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)[nH]1 ZINC000428940940 201049830 /nfs/dbraw/zinc/04/98/30/201049830.db2.gz SNOWUJKWCMQIEM-WPRPVWTQSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1nnc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)[nH]1 ZINC000428940940 201049834 /nfs/dbraw/zinc/04/98/34/201049834.db2.gz SNOWUJKWCMQIEM-WPRPVWTQSA-N 1 2 240.307 0.085 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000614282281 363769527 /nfs/dbraw/zinc/76/95/27/363769527.db2.gz QNEWPEUCUSTQJO-OMHSBUABSA-N 1 2 247.298 0.285 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614281145 363770018 /nfs/dbraw/zinc/77/00/18/363770018.db2.gz GPPOKAXTIYJAFY-APOZVJGGSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614281145 363770022 /nfs/dbraw/zinc/77/00/22/363770022.db2.gz GPPOKAXTIYJAFY-APOZVJGGSA-N 1 2 247.298 0.276 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C)c2cnn(C)c2)[nH]1 ZINC000162610271 361357166 /nfs/dbraw/zinc/35/71/66/361357166.db2.gz GGNMGMIHZYFCBT-MRVPVSSYSA-N 1 2 234.307 0.951 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000429279878 201089226 /nfs/dbraw/zinc/08/92/26/201089226.db2.gz NGXVOIKUEZGVQT-JTQLQIEISA-N 1 2 242.323 0.298 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429279878 201089228 /nfs/dbraw/zinc/08/92/28/201089228.db2.gz NGXVOIKUEZGVQT-JTQLQIEISA-N 1 2 242.323 0.298 20 0 BCADLO CSC[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000429282850 201090877 /nfs/dbraw/zinc/09/08/77/201090877.db2.gz HENCXHQLLLHROR-VIFPVBQESA-N 1 2 241.364 0.785 20 0 BCADLO CSC[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000429282850 201090879 /nfs/dbraw/zinc/09/08/79/201090879.db2.gz HENCXHQLLLHROR-VIFPVBQESA-N 1 2 241.364 0.785 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000429143065 201074197 /nfs/dbraw/zinc/07/41/97/201074197.db2.gz OQIAEDSHUABFKG-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000429143065 201074201 /nfs/dbraw/zinc/07/42/01/201074201.db2.gz OQIAEDSHUABFKG-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO C[C@@H](NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000579251582 366748226 /nfs/dbraw/zinc/74/82/26/366748226.db2.gz BKWISVGYUCMGKY-RXMQYKEDSA-N 1 2 219.191 0.826 20 0 BCADLO CCC[N@@H+](CC(=O)Nc1nn[nH]n1)C(C)C ZINC000579369401 366771970 /nfs/dbraw/zinc/77/19/70/366771970.db2.gz BKSMIWLOORTJBG-UHFFFAOYSA-N 1 2 226.284 0.259 20 0 BCADLO CCCCOCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429307687 201097746 /nfs/dbraw/zinc/09/77/46/201097746.db2.gz IJLWWIGIJZDIIL-UHFFFAOYSA-N 1 2 224.308 0.980 20 0 BCADLO CCCCOCC[N@H+]1CCc2nn[nH]c2C1 ZINC000429307687 201097748 /nfs/dbraw/zinc/09/77/48/201097748.db2.gz IJLWWIGIJZDIIL-UHFFFAOYSA-N 1 2 224.308 0.980 20 0 BCADLO CCO[C@@H]1COC[C@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000579377166 366775656 /nfs/dbraw/zinc/77/56/56/366775656.db2.gz LNNYPBAUTYWEAA-GHMZBOCLSA-N 1 2 239.319 0.920 20 0 BCADLO c1cncc(CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000429321407 201101763 /nfs/dbraw/zinc/10/17/63/201101763.db2.gz XZFPGALDACENRE-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO c1cncc(CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000429321407 201101765 /nfs/dbraw/zinc/10/17/65/201101765.db2.gz XZFPGALDACENRE-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO CCC[C@H](C)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000429685258 201124788 /nfs/dbraw/zinc/12/47/88/201124788.db2.gz LGFMTVAMQVLJGR-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1nc([C@H](C)[NH+]2CCC(O)CC2)no1 ZINC000429730644 201128873 /nfs/dbraw/zinc/12/88/73/201128873.db2.gz MQQYFOKKWSQSGB-ZETCQYMHSA-N 1 2 211.265 0.896 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000429721858 201130583 /nfs/dbraw/zinc/13/05/83/201130583.db2.gz HUXOOZZYJRAPQI-SNVBAGLBSA-N 1 2 238.335 0.812 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000429721858 201130585 /nfs/dbraw/zinc/13/05/85/201130585.db2.gz HUXOOZZYJRAPQI-SNVBAGLBSA-N 1 2 238.335 0.812 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1c[nH]nc1C ZINC000430145092 201146135 /nfs/dbraw/zinc/14/61/35/201146135.db2.gz CRHCEUYVGKQJCE-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1c[nH]nc1C ZINC000430145092 201146137 /nfs/dbraw/zinc/14/61/37/201146137.db2.gz CRHCEUYVGKQJCE-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000430137693 201146761 /nfs/dbraw/zinc/14/67/61/201146761.db2.gz LVGLYJCUYJKJFI-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000430137693 201146763 /nfs/dbraw/zinc/14/67/63/201146763.db2.gz LVGLYJCUYJKJFI-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO COc1ccc(NCc2cn(C)nn2)[nH+]c1 ZINC000309915466 491158232 /nfs/dbraw/zinc/15/82/32/491158232.db2.gz PCLBCHYNAGGUSZ-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO COCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000170210742 361481224 /nfs/dbraw/zinc/48/12/24/361481224.db2.gz HJRREGHYSGUVNX-UHFFFAOYSA-N 1 2 211.265 0.115 20 0 BCADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000152573960 201201619 /nfs/dbraw/zinc/20/16/19/201201619.db2.gz DBAOLDUVXPVCDI-JTQLQIEISA-N 1 2 220.276 0.818 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(F)(F)F ZINC000163749590 361567247 /nfs/dbraw/zinc/56/72/47/361567247.db2.gz YDFNQFJDAWAYOP-BQBZGAKWSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(F)(F)F ZINC000163749590 361567256 /nfs/dbraw/zinc/56/72/56/361567256.db2.gz YDFNQFJDAWAYOP-BQBZGAKWSA-N 1 2 241.209 0.547 20 0 BCADLO CCOCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000152294526 201195506 /nfs/dbraw/zinc/19/55/06/201195506.db2.gz SPHWKSHQRKDKCZ-NSHDSACASA-N 1 2 247.360 0.674 20 0 BCADLO CCOCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000152294526 201195510 /nfs/dbraw/zinc/19/55/10/201195510.db2.gz SPHWKSHQRKDKCZ-NSHDSACASA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434543678 201227675 /nfs/dbraw/zinc/22/76/75/201227675.db2.gz HWKDSISSEPRRKY-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000629685272 361607194 /nfs/dbraw/zinc/60/71/94/361607194.db2.gz KUTKGHHIVTWGDW-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434543678 201227681 /nfs/dbraw/zinc/22/76/81/201227681.db2.gz HWKDSISSEPRRKY-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000434479985 201222193 /nfs/dbraw/zinc/22/21/93/201222193.db2.gz LMKZAYRGIIRIIV-AXFHLTTASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000434479985 201222195 /nfs/dbraw/zinc/22/21/95/201222195.db2.gz LMKZAYRGIIRIIV-AXFHLTTASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551624 201225749 /nfs/dbraw/zinc/22/57/49/201225749.db2.gz CQSWMZDUEJFBLX-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551624 201225752 /nfs/dbraw/zinc/22/57/52/201225752.db2.gz CQSWMZDUEJFBLX-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000629688093 361612779 /nfs/dbraw/zinc/61/27/79/361612779.db2.gz DXQWPCIUESALGL-CZMCAQCFSA-N 1 2 223.276 0.256 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000629688291 361613138 /nfs/dbraw/zinc/61/31/38/361613138.db2.gz IBJIDYJIUCMBTH-KYZUINATSA-N 1 2 223.276 0.636 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434671597 201232038 /nfs/dbraw/zinc/23/20/38/201232038.db2.gz IUDMSPBAEXTRLE-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO Cn1nnnc1C[N@H+]1CCSC(C)(C)CC1 ZINC000434671597 201232039 /nfs/dbraw/zinc/23/20/39/201232039.db2.gz IUDMSPBAEXTRLE-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000629689727 361623468 /nfs/dbraw/zinc/62/34/68/361623468.db2.gz PZCOCGNHKZVJIE-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000629689727 361623473 /nfs/dbraw/zinc/62/34/73/361623473.db2.gz PZCOCGNHKZVJIE-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000450221859 201276093 /nfs/dbraw/zinc/27/60/93/201276093.db2.gz XAYDLUYXIBOXGT-DGCLKSJQSA-N 1 2 248.326 0.583 20 0 BCADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000450221859 201276096 /nfs/dbraw/zinc/27/60/96/201276096.db2.gz XAYDLUYXIBOXGT-DGCLKSJQSA-N 1 2 248.326 0.583 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629764473 361688450 /nfs/dbraw/zinc/68/84/50/361688450.db2.gz BUBVKYGFNZHAJN-HOSYDEDBSA-N 1 2 235.287 0.255 20 0 BCADLO CSC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000435876115 201294151 /nfs/dbraw/zinc/29/41/51/201294151.db2.gz WLWBDCKQHBGSFA-ZCFIWIBFSA-N 1 2 227.276 0.634 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629767136 361690242 /nfs/dbraw/zinc/69/02/42/361690242.db2.gz HPZAQXAOMHHOPO-UFGOTCBOSA-N 1 2 249.314 0.632 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)NCC1CC1 ZINC000155362835 201326792 /nfs/dbraw/zinc/32/67/92/201326792.db2.gz NTCWEMUBFBIMST-UHFFFAOYSA-N 1 2 249.270 0.555 20 0 BCADLO CSC[C@H](O)CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000436481489 201328157 /nfs/dbraw/zinc/32/81/57/201328157.db2.gz BFILQLNMNKUJKQ-NEPJUHHUSA-N 1 2 246.420 0.982 20 0 BCADLO CSC[C@H](O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000436481489 201328159 /nfs/dbraw/zinc/32/81/59/201328159.db2.gz BFILQLNMNKUJKQ-NEPJUHHUSA-N 1 2 246.420 0.982 20 0 BCADLO C[C@H](CC(=O)N(C)[C@@H](C)CO)n1cc[nH+]c1 ZINC000579482949 366827932 /nfs/dbraw/zinc/82/79/32/366827932.db2.gz LBUPMUGCULQVLY-ZJUUUORDSA-N 1 2 225.292 0.673 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C(=O)c1ccc(O)cc1 ZINC000436909885 201341038 /nfs/dbraw/zinc/34/10/38/201341038.db2.gz ZURJNCXQESVUJP-UHFFFAOYSA-N 1 2 245.238 0.614 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C(=O)c1ccc(O)cc1 ZINC000436909885 201341043 /nfs/dbraw/zinc/34/10/43/201341043.db2.gz ZURJNCXQESVUJP-UHFFFAOYSA-N 1 2 245.238 0.614 20 0 BCADLO CCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000614546938 363844194 /nfs/dbraw/zinc/84/41/94/363844194.db2.gz XEYSXRHZOIWNKB-UHFFFAOYSA-N 1 2 237.303 0.671 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCN1 ZINC000614735895 363945124 /nfs/dbraw/zinc/94/51/24/363945124.db2.gz AEQNKNDXNBNYNA-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H](O)C1CC1 ZINC000614702918 363932061 /nfs/dbraw/zinc/93/20/61/363932061.db2.gz LYGVXQUMTBVDPD-GXSJLCMTSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619080615 363952548 /nfs/dbraw/zinc/95/25/48/363952548.db2.gz FVIXHJPKUAMZBQ-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C(=O)CCCn1cc[nH+]c1)C1(CO)CC1 ZINC000614767087 363954430 /nfs/dbraw/zinc/95/44/30/363954430.db2.gz YWHHVGVVRVRSHR-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1(CO)CC1 ZINC000614769513 363960372 /nfs/dbraw/zinc/96/03/72/363960372.db2.gz HCTCWHNFSFZPGV-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000614898897 364042956 /nfs/dbraw/zinc/04/29/56/364042956.db2.gz GAMDJNMNLSGFMD-HBNTYKKESA-N 1 2 249.314 0.819 20 0 BCADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnnn1C ZINC000541984893 364056975 /nfs/dbraw/zinc/05/69/75/364056975.db2.gz ZQHMMRLFJWHDQK-LLVKDONJSA-N 1 2 247.302 0.342 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1CSC1 ZINC000630407023 364143747 /nfs/dbraw/zinc/14/37/47/364143747.db2.gz PVRRCEILUOOBIY-UHFFFAOYSA-N 1 2 225.317 0.752 20 0 BCADLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)[C@H](C)O ZINC000622090647 370703434 /nfs/dbraw/zinc/70/34/34/370703434.db2.gz RSBPWQYDCVVECL-IUCAKERBSA-N 1 2 239.319 0.963 20 0 BCADLO Cc1conc1C(=O)NCCCn1cc[nH+]c1 ZINC000630406313 364140006 /nfs/dbraw/zinc/14/00/06/364140006.db2.gz KEIUSLZWJZNHJY-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO COc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000116161160 370739524 /nfs/dbraw/zinc/73/95/24/370739524.db2.gz RSCWOIMIYHTSRO-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO CCc1cc(N[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000232180784 541346588 /nfs/dbraw/zinc/34/65/88/541346588.db2.gz MXGJZNYXJCXAPE-MRVPVSSYSA-N 1 2 206.249 0.339 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000630612333 364343336 /nfs/dbraw/zinc/34/33/36/364343336.db2.gz AMPFSXUUNWYQPQ-NOHGZBONSA-N 1 2 248.330 0.985 20 0 BCADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C1CC1 ZINC000630589281 364297996 /nfs/dbraw/zinc/29/79/96/364297996.db2.gz DUYHUDRTCJCSFA-SNVBAGLBSA-N 1 2 236.319 0.909 20 0 BCADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C1CC1 ZINC000630589281 364297998 /nfs/dbraw/zinc/29/79/98/364297998.db2.gz DUYHUDRTCJCSFA-SNVBAGLBSA-N 1 2 236.319 0.909 20 0 BCADLO Cc1cccnc1-n1cc(C[N@H+](C)CCO)nn1 ZINC000630598533 364314301 /nfs/dbraw/zinc/31/43/01/364314301.db2.gz WNBXLSCGPSITKD-UHFFFAOYSA-N 1 2 247.302 0.395 20 0 BCADLO Cc1cccnc1-n1cc(C[N@@H+](C)CCO)nn1 ZINC000630598533 364314305 /nfs/dbraw/zinc/31/43/05/364314305.db2.gz WNBXLSCGPSITKD-UHFFFAOYSA-N 1 2 247.302 0.395 20 0 BCADLO CC[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000630619347 364357094 /nfs/dbraw/zinc/35/70/94/364357094.db2.gz NUXFDLRUMGYPIQ-SNVBAGLBSA-N 1 2 221.264 0.294 20 0 BCADLO CCC[N@@H+](CC(=O)NC)C[C@@H](O)C(F)(F)F ZINC000181651857 366836604 /nfs/dbraw/zinc/83/66/04/366836604.db2.gz FGKPJWQPPRJJCG-SSDOTTSWSA-N 1 2 242.241 0.368 20 0 BCADLO CCC[N@H+](CC(=O)NC)C[C@@H](O)C(F)(F)F ZINC000181651857 366836607 /nfs/dbraw/zinc/83/66/07/366836607.db2.gz FGKPJWQPPRJJCG-SSDOTTSWSA-N 1 2 242.241 0.368 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCSC)CCO1 ZINC000135793666 364450383 /nfs/dbraw/zinc/45/03/83/364450383.db2.gz ORYKRJWAHVNJTE-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCSC)CCO1 ZINC000135793666 364450385 /nfs/dbraw/zinc/45/03/85/364450385.db2.gz ORYKRJWAHVNJTE-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCSC)CCO1 ZINC000135793626 364450486 /nfs/dbraw/zinc/45/04/86/364450486.db2.gz ORYKRJWAHVNJTE-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCSC)CCO1 ZINC000135793626 364450490 /nfs/dbraw/zinc/45/04/90/364450490.db2.gz ORYKRJWAHVNJTE-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCc1nnc(C[N@H+](C)CC(C)(C)O)[nH]1 ZINC000181706474 366841284 /nfs/dbraw/zinc/84/12/84/366841284.db2.gz FXIOOUBIZAWHBF-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC(C)(C)O)[nH]1 ZINC000181706474 366841292 /nfs/dbraw/zinc/84/12/92/366841292.db2.gz FXIOOUBIZAWHBF-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO CC[N@H+](CCO)[C@@H](C)c1nc(COC)no1 ZINC000181754429 366845559 /nfs/dbraw/zinc/84/55/59/366845559.db2.gz XGPQQADULRPILO-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CC[N@@H+](CCO)[C@@H](C)c1nc(COC)no1 ZINC000181754429 366845565 /nfs/dbraw/zinc/84/55/65/366845565.db2.gz XGPQQADULRPILO-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CCN(C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630705026 364472832 /nfs/dbraw/zinc/47/28/32/364472832.db2.gz AGWFLLLUAFNVIF-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO Cc1conc1C(=O)NCCn1cc[nH+]c1 ZINC000630734500 364523573 /nfs/dbraw/zinc/52/35/73/364523573.db2.gz DAOSFRUIXOTROD-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO O=C(CCC1(O)CCC1)NCCn1cc[nH+]c1 ZINC000630734481 364523892 /nfs/dbraw/zinc/52/38/92/364523892.db2.gz CPJZXHXBQIBENZ-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(=O)n1C ZINC000630747497 364533289 /nfs/dbraw/zinc/53/32/89/364533289.db2.gz SJOTVAXHEUMITP-MRVPVSSYSA-N 1 2 249.274 0.141 20 0 BCADLO COC(C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000246572578 364603115 /nfs/dbraw/zinc/60/31/15/364603115.db2.gz STAKWJINAZMQSU-NSHDSACASA-N 1 2 228.336 0.775 20 0 BCADLO COC(C[N@H+]1CCN2CCCC[C@H]2C1)OC ZINC000246572578 364603119 /nfs/dbraw/zinc/60/31/19/364603119.db2.gz STAKWJINAZMQSU-NSHDSACASA-N 1 2 228.336 0.775 20 0 BCADLO C/C=C/CNC(=O)NCc1[nH+]ccn1C ZINC000623632948 364679668 /nfs/dbraw/zinc/67/96/68/364679668.db2.gz WYKRJFMODMCWAP-ONEGZZNKSA-N 1 2 208.265 0.795 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000573086463 364783309 /nfs/dbraw/zinc/78/33/09/364783309.db2.gz IAEBFSGQIPHGIW-WPRPVWTQSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000573086463 364783317 /nfs/dbraw/zinc/78/33/17/364783317.db2.gz IAEBFSGQIPHGIW-WPRPVWTQSA-N 1 2 236.319 0.648 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](C)O[C@H](CO)C1 ZINC000299959113 364825202 /nfs/dbraw/zinc/82/52/02/364825202.db2.gz HRZSPKOHYSHLJH-ZJUUUORDSA-N 1 2 238.287 0.676 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000573449299 364836466 /nfs/dbraw/zinc/83/64/66/364836466.db2.gz RFCBSRHGQRLVAS-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO CCC1(CNC(=O)C[NH+]2CC(C)(C)C2)COC1 ZINC000573739832 364906303 /nfs/dbraw/zinc/90/63/03/364906303.db2.gz BDVLOMCAFDKTGN-UHFFFAOYSA-N 1 2 240.347 0.871 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000332849253 541397558 /nfs/dbraw/zinc/39/75/58/541397558.db2.gz SIGVIQBKRJLTIZ-SCZZXKLOSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000332849253 541397561 /nfs/dbraw/zinc/39/75/61/541397561.db2.gz SIGVIQBKRJLTIZ-SCZZXKLOSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[S@@](=O)C1 ZINC000433019025 192974626 /nfs/dbraw/zinc/97/46/26/192974626.db2.gz HYKKMCKFIFWTBO-BJOHPYRUSA-N 1 2 227.333 0.610 20 0 BCADLO CC[C@@](C)(NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000573857661 364932116 /nfs/dbraw/zinc/93/21/16/364932116.db2.gz BUZLLYYSAICDTH-LLVKDONJSA-N 1 2 239.275 0.341 20 0 BCADLO CO[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573927338 364947845 /nfs/dbraw/zinc/94/78/45/364947845.db2.gz OKWQMCGEJDBOEW-NXEZZACHSA-N 1 2 225.292 0.985 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)on1 ZINC000336015228 541424599 /nfs/dbraw/zinc/42/45/99/541424599.db2.gz UPKDNMKPHROMAW-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CCn2nncc2C1 ZINC000574098410 364987117 /nfs/dbraw/zinc/98/71/17/364987117.db2.gz OQAXHDJHAVVVRW-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCn2nncc2C1 ZINC000574098410 364987123 /nfs/dbraw/zinc/98/71/23/364987123.db2.gz OQAXHDJHAVVVRW-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000349803123 541440483 /nfs/dbraw/zinc/44/04/83/541440483.db2.gz RWUHLYRRNUTQCL-UHFFFAOYSA-N 1 2 217.294 0.250 20 0 BCADLO COc1ccncc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000574154521 364996966 /nfs/dbraw/zinc/99/69/66/364996966.db2.gz UPFNLKXKKIGCCG-UHFFFAOYSA-N 1 2 235.287 0.397 20 0 BCADLO CCN(C(=O)NCCn1cc[nH+]c1)C1COC1 ZINC000574411122 365056036 /nfs/dbraw/zinc/05/60/36/365056036.db2.gz KOLZOAZMARGZEI-UHFFFAOYSA-N 1 2 238.291 0.313 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)CO1 ZINC000574704148 365126067 /nfs/dbraw/zinc/12/60/67/365126067.db2.gz UWSPGFRMFLGZMK-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCC1=O ZINC000574701683 365126658 /nfs/dbraw/zinc/12/66/58/365126658.db2.gz IFJLHUPRQUGYAJ-JTQLQIEISA-N 1 2 238.331 0.766 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[S@](=O)C1 ZINC000574824292 365154592 /nfs/dbraw/zinc/15/45/92/365154592.db2.gz ZZTMIYGBVVMUSK-KXHHVGMCSA-N 1 2 242.304 0.000 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(=O)N(C)CC ZINC000574871244 365163398 /nfs/dbraw/zinc/16/33/98/365163398.db2.gz AIYXAMDLYRBGKO-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC(=O)N(C)CC ZINC000574871244 365163399 /nfs/dbraw/zinc/16/33/99/365163399.db2.gz AIYXAMDLYRBGKO-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)NCC1([S@@](C)=O)CC1 ZINC000442920354 193002695 /nfs/dbraw/zinc/00/26/95/193002695.db2.gz COATXNLFOZMWNV-JDNHERCYSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)NCC1([S@@](C)=O)CC1 ZINC000442920354 193002699 /nfs/dbraw/zinc/00/26/99/193002699.db2.gz COATXNLFOZMWNV-JDNHERCYSA-N 1 2 244.360 0.108 20 0 BCADLO CNC(=O)C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000443056218 193011964 /nfs/dbraw/zinc/01/19/64/193011964.db2.gz GQLRDBPXJMGQSD-MRXNPFEDSA-N 1 2 240.328 0.693 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C(=O)Nc1ccccc1 ZINC000443541923 193023022 /nfs/dbraw/zinc/02/30/22/193023022.db2.gz OXMJJBKKPQXYRK-UHFFFAOYSA-N 1 2 244.254 0.665 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C(=O)Nc1ccccc1 ZINC000443541923 193023024 /nfs/dbraw/zinc/02/30/24/193023024.db2.gz OXMJJBKKPQXYRK-UHFFFAOYSA-N 1 2 244.254 0.665 20 0 BCADLO C[C@@H](NC(=O)N1CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171716202 365228271 /nfs/dbraw/zinc/22/82/71/365228271.db2.gz UKNZPEKVJPIGAR-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n[nH]1 ZINC000575184095 365233562 /nfs/dbraw/zinc/23/35/62/365233562.db2.gz CPNZYAMSEVYSPS-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000575184095 365233568 /nfs/dbraw/zinc/23/35/68/365233568.db2.gz CPNZYAMSEVYSPS-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO C[C@@H](O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000172312268 365308130 /nfs/dbraw/zinc/30/81/30/365308130.db2.gz UUALFIWZKCBUHX-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000576050488 365463746 /nfs/dbraw/zinc/46/37/46/365463746.db2.gz IMDWLVASJHFUKS-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000576050488 365463752 /nfs/dbraw/zinc/46/37/52/365463752.db2.gz IMDWLVASJHFUKS-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000576036000 365457602 /nfs/dbraw/zinc/45/76/02/365457602.db2.gz AZJNYUPDOZGTBF-RKDXNWHRSA-N 1 2 212.249 0.486 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccon1 ZINC000576182622 365513141 /nfs/dbraw/zinc/51/31/41/365513141.db2.gz UPQFDVGMEHJJOB-QMMMGPOBSA-N 1 2 220.232 0.749 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnn1C ZINC000576170714 365509071 /nfs/dbraw/zinc/50/90/71/365509071.db2.gz SJRWFJUEJJMAGC-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccnn1C ZINC000576170714 365509072 /nfs/dbraw/zinc/50/90/72/365509072.db2.gz SJRWFJUEJJMAGC-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO COC[C@](C)([NH2+]CC1CCOCC1)C(=O)OC ZINC000182594359 366918424 /nfs/dbraw/zinc/91/84/24/366918424.db2.gz LQORZLGDUSIALM-LBPRGKRZSA-N 1 2 245.319 0.581 20 0 BCADLO COc1ncc(NCc2[nH]cc[nH+]2)cc1C(N)=O ZINC000182590657 366919656 /nfs/dbraw/zinc/91/96/56/366919656.db2.gz QFRSATUKRGARCN-UHFFFAOYSA-N 1 2 247.258 0.524 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371284 541480897 /nfs/dbraw/zinc/48/08/97/541480897.db2.gz ICHMSSBFRJKAIW-PWSUYJOCSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371284 541480900 /nfs/dbraw/zinc/48/09/00/541480900.db2.gz ICHMSSBFRJKAIW-PWSUYJOCSA-N 1 2 242.319 0.132 20 0 BCADLO NC(=O)C[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000175257473 541500437 /nfs/dbraw/zinc/50/04/37/541500437.db2.gz GDPBBMMSQVRQRQ-SSDOTTSWSA-N 1 2 206.236 0.839 20 0 BCADLO NC(=O)C[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000175257473 541500441 /nfs/dbraw/zinc/50/04/41/541500441.db2.gz GDPBBMMSQVRQRQ-SSDOTTSWSA-N 1 2 206.236 0.839 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CC(=O)NC1=O ZINC000579727505 366992980 /nfs/dbraw/zinc/99/29/80/366992980.db2.gz NXTUHYJXOMPAMQ-SSDOTTSWSA-N 1 2 239.300 0.298 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@@H]1CC(=O)NC1=O ZINC000579727505 366992987 /nfs/dbraw/zinc/99/29/87/366992987.db2.gz NXTUHYJXOMPAMQ-SSDOTTSWSA-N 1 2 239.300 0.298 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183698455 367039001 /nfs/dbraw/zinc/03/90/01/367039001.db2.gz IWQVJVLCDROIBW-DCAQKATOSA-N 1 2 247.335 0.561 20 0 BCADLO NC(=O)C1([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000183822402 367050092 /nfs/dbraw/zinc/05/00/92/367050092.db2.gz UKNZOVWXMJCVQG-UHFFFAOYSA-N 1 2 230.271 0.442 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579851491 367050283 /nfs/dbraw/zinc/05/02/83/367050283.db2.gz PETCZNAFVUGPSS-ONGXEEELSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579851491 367050286 /nfs/dbraw/zinc/05/02/86/367050286.db2.gz PETCZNAFVUGPSS-ONGXEEELSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000185105623 367119611 /nfs/dbraw/zinc/11/96/11/367119611.db2.gz SNUFVSBRCPJEGU-XXFAHNHDSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000185105623 367119617 /nfs/dbraw/zinc/11/96/17/367119617.db2.gz SNUFVSBRCPJEGU-XXFAHNHDSA-N 1 2 248.392 0.600 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185114762 367120036 /nfs/dbraw/zinc/12/00/36/367120036.db2.gz BKBDLNRUMXLDMW-QFYYESIMSA-N 1 2 248.392 0.554 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185114762 367120040 /nfs/dbraw/zinc/12/00/40/367120040.db2.gz BKBDLNRUMXLDMW-QFYYESIMSA-N 1 2 248.392 0.554 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000185191135 367125108 /nfs/dbraw/zinc/12/51/08/367125108.db2.gz WTTVTMJFJKJLQY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000185191135 367125112 /nfs/dbraw/zinc/12/51/12/367125112.db2.gz WTTVTMJFJKJLQY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO Cc1nn(C)cc1CC(=O)NCCn1cc[nH+]c1 ZINC000622308001 370835621 /nfs/dbraw/zinc/83/56/21/370835621.db2.gz RFHJNZBCKCERSY-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO C[C@@H](O)C[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193386987 367172763 /nfs/dbraw/zinc/17/27/63/367172763.db2.gz AXHJCPUBVJAUTM-KOLCDFICSA-N 1 2 225.292 0.381 20 0 BCADLO CC[C@H](O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000580838318 367184263 /nfs/dbraw/zinc/18/42/63/367184263.db2.gz DGOOJGNPVCRCDY-QMMMGPOBSA-N 1 2 225.292 0.922 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC(C)(O)C1 ZINC000622309519 370837239 /nfs/dbraw/zinc/83/72/39/370837239.db2.gz UVUOLATWPHUQCF-BMQDGWLCSA-N 1 2 237.303 0.549 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC1 ZINC000622291440 370826383 /nfs/dbraw/zinc/82/63/83/370826383.db2.gz LLLDEYNSSLZSNS-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC1 ZINC000622291440 370826388 /nfs/dbraw/zinc/82/63/88/370826388.db2.gz LLLDEYNSSLZSNS-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](O)[C@H](CO)C1 ZINC000580845024 367187386 /nfs/dbraw/zinc/18/73/86/367187386.db2.gz XAJURSJTGBOIQB-WDEREUQCSA-N 1 2 237.303 0.273 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)CC(=O)N1 ZINC000580873935 367193588 /nfs/dbraw/zinc/19/35/88/367193588.db2.gz ZSVGVMXTTOYFDH-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CC(=O)N1 ZINC000580873935 367193593 /nfs/dbraw/zinc/19/35/93/367193593.db2.gz ZSVGVMXTTOYFDH-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO CC[N@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000580949884 367214681 /nfs/dbraw/zinc/21/46/81/367214681.db2.gz ZOONLGWJNSJPAA-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000580949884 367214687 /nfs/dbraw/zinc/21/46/87/367214687.db2.gz ZOONLGWJNSJPAA-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000580950746 367214732 /nfs/dbraw/zinc/21/47/32/367214732.db2.gz XAIXCQVHBSQWTF-CBAPKCEASA-N 1 2 241.316 0.390 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1C=C[C@H](CO)C1)n1cc[nH+]c1 ZINC000581016221 367237139 /nfs/dbraw/zinc/23/71/39/367237139.db2.gz MRFZHAKSKKJGDB-GRYCIOLGSA-N 1 2 249.314 0.887 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1nccs1 ZINC000581319029 367345578 /nfs/dbraw/zinc/34/55/78/367345578.db2.gz OSRLXTDULRLFFK-LLVKDONJSA-N 1 2 237.328 0.998 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1nccs1 ZINC000581319029 367345582 /nfs/dbraw/zinc/34/55/82/367345582.db2.gz OSRLXTDULRLFFK-LLVKDONJSA-N 1 2 237.328 0.998 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCn1ccnn1 ZINC000581320491 367346872 /nfs/dbraw/zinc/34/68/72/367346872.db2.gz FZJLNACPZCQCLE-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO Cc1cc(C[NH2+]Cc2nnn(C)n2)cs1 ZINC000381127975 367353492 /nfs/dbraw/zinc/35/34/92/367353492.db2.gz GLURXZRDPFKJPW-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194436549 367291944 /nfs/dbraw/zinc/29/19/44/367291944.db2.gz XBFVFKASDMRZDE-VHSXEESVSA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194436549 367291952 /nfs/dbraw/zinc/29/19/52/367291952.db2.gz XBFVFKASDMRZDE-VHSXEESVSA-N 1 2 239.323 0.336 20 0 BCADLO Cc1nnc(CC[NH2+][C@@H](C)c2ncc[nH]2)[nH]1 ZINC000381482087 367416542 /nfs/dbraw/zinc/41/65/42/367416542.db2.gz SZLNKXPDTFDVCQ-ZETCQYMHSA-N 1 2 220.280 0.730 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000581463757 367488549 /nfs/dbraw/zinc/48/85/49/367488549.db2.gz RXJHQEUCYAMTRG-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000581463757 367488556 /nfs/dbraw/zinc/48/85/56/367488556.db2.gz RXJHQEUCYAMTRG-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO COCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581551852 367585887 /nfs/dbraw/zinc/58/58/87/367585887.db2.gz BMSQOIDWIPYSQV-JTQLQIEISA-N 1 2 225.292 0.987 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000581559169 367589959 /nfs/dbraw/zinc/58/99/59/367589959.db2.gz PIYDKTDUAMQCDM-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000581559169 367589962 /nfs/dbraw/zinc/58/99/62/367589962.db2.gz PIYDKTDUAMQCDM-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCc1ncc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000581617986 367638096 /nfs/dbraw/zinc/63/80/96/367638096.db2.gz MCHPKANYFDZBJJ-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCc1ncc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000581617986 367638100 /nfs/dbraw/zinc/63/81/00/367638100.db2.gz MCHPKANYFDZBJJ-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCC(CC)[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000383512493 367631913 /nfs/dbraw/zinc/63/19/13/367631913.db2.gz GZTSHLOHMDFEOP-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581610230 367633413 /nfs/dbraw/zinc/63/34/13/367633413.db2.gz FMDQOXFGIZTCGO-CKYFFXLPSA-N 1 2 249.314 0.427 20 0 BCADLO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)OCC ZINC000581670170 367700747 /nfs/dbraw/zinc/70/07/47/367700747.db2.gz UHBPEYCSMRFZJE-UWVGGRQHSA-N 1 2 217.309 0.936 20 0 BCADLO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)OCC ZINC000581670172 367700978 /nfs/dbraw/zinc/70/09/78/367700978.db2.gz UHBPEYCSMRFZJE-ZJUUUORDSA-N 1 2 217.309 0.936 20 0 BCADLO Cc1ccn(CC(=O)NCc2[nH+]ccn2C)n1 ZINC000622353228 370862948 /nfs/dbraw/zinc/86/29/48/370862948.db2.gz FAFLRDASONNCAO-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO C[C@H](Oc1ccccn1)C(=O)NCc1[nH]cc[nH+]1 ZINC000622366429 370871109 /nfs/dbraw/zinc/87/11/09/370871109.db2.gz CQQHRIIQQINRLD-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO C[C@@H](Oc1ccccn1)C(=O)NCc1[nH]cc[nH+]1 ZINC000622366428 370871433 /nfs/dbraw/zinc/87/14/33/370871433.db2.gz CQQHRIIQQINRLD-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000622367026 370872327 /nfs/dbraw/zinc/87/23/27/370872327.db2.gz ZJDXKEPXOOFPBL-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO O=C([C@@H]1CC1(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000622372338 370876617 /nfs/dbraw/zinc/87/66/17/370876617.db2.gz JNKZAJUWDGMPKL-QMMMGPOBSA-N 1 2 227.214 0.922 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COC(C)C ZINC000385418279 367827621 /nfs/dbraw/zinc/82/76/21/367827621.db2.gz ZLANXPIPFUJIFI-UHFFFAOYSA-N 1 2 225.292 0.944 20 0 BCADLO CCc1cnc(C[N@H+](C)CCNC(C)=O)o1 ZINC000566185546 326008377 /nfs/dbraw/zinc/00/83/77/326008377.db2.gz KLLSKOUUPUHOEM-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCc1cnc(C[N@@H+](C)CCNC(C)=O)o1 ZINC000566185546 326008380 /nfs/dbraw/zinc/00/83/80/326008380.db2.gz KLLSKOUUPUHOEM-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO C[C@@H](O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581828512 367835376 /nfs/dbraw/zinc/83/53/76/367835376.db2.gz DLTHYJOIPSUGOZ-VHSXEESVSA-N 1 2 225.292 0.721 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000581918025 367905475 /nfs/dbraw/zinc/90/54/75/367905475.db2.gz GVSHFYCCRLNUGT-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccc(O)cc1 ZINC000385924175 367882741 /nfs/dbraw/zinc/88/27/41/367882741.db2.gz JXMOSSKSBRWECF-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399201564 367903187 /nfs/dbraw/zinc/90/31/87/367903187.db2.gz CIYXDJGRDWNKPV-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399201564 367903192 /nfs/dbraw/zinc/90/31/92/367903192.db2.gz CIYXDJGRDWNKPV-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000016419517 367952247 /nfs/dbraw/zinc/95/22/47/367952247.db2.gz FNQHPBABFQPPDG-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000016419517 367952255 /nfs/dbraw/zinc/95/22/55/367952255.db2.gz FNQHPBABFQPPDG-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)c2ccccc2)CCN1 ZINC000016389158 367952308 /nfs/dbraw/zinc/95/23/08/367952308.db2.gz GDWPCEOJBTZUGU-LLVKDONJSA-N 1 2 220.272 0.152 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)c2ccccc2)CCN1 ZINC000016389158 367952312 /nfs/dbraw/zinc/95/23/12/367952312.db2.gz GDWPCEOJBTZUGU-LLVKDONJSA-N 1 2 220.272 0.152 20 0 BCADLO Cc1oc(C(=O)NCc2[nH+]ccn2C)cc1CO ZINC000630922267 367954111 /nfs/dbraw/zinc/95/41/11/367954111.db2.gz LQIUHEMQHZDILL-UHFFFAOYSA-N 1 2 249.270 0.744 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615478139 368056021 /nfs/dbraw/zinc/05/60/21/368056021.db2.gz IQDUMWBALAAYOQ-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615478139 368056025 /nfs/dbraw/zinc/05/60/25/368056025.db2.gz IQDUMWBALAAYOQ-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@@H]1C[N@H+](CC2(C)COC2)CC[S@@]1=O ZINC000441488863 201555218 /nfs/dbraw/zinc/55/52/18/201555218.db2.gz RODKLKVGEJXRNM-OTYXRUKQSA-N 1 2 217.334 0.476 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(C)COC2)CC[S@@]1=O ZINC000441488863 201555220 /nfs/dbraw/zinc/55/52/20/201555220.db2.gz RODKLKVGEJXRNM-OTYXRUKQSA-N 1 2 217.334 0.476 20 0 BCADLO CNC(=O)CCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000581952083 368017737 /nfs/dbraw/zinc/01/77/37/368017737.db2.gz YHQXVBDSXWLENZ-MRVPVSSYSA-N 1 2 238.278 0.461 20 0 BCADLO CNC(=O)CCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000581952083 368017741 /nfs/dbraw/zinc/01/77/41/368017741.db2.gz YHQXVBDSXWLENZ-MRVPVSSYSA-N 1 2 238.278 0.461 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)O ZINC000387183038 368099120 /nfs/dbraw/zinc/09/91/20/368099120.db2.gz VLUYPVQUTWVUDL-IUCAKERBSA-N 1 2 211.265 0.159 20 0 BCADLO CN(C)c1c[nH+]cc(NCc2cnnn2C)c1 ZINC000630956535 368150522 /nfs/dbraw/zinc/15/05/22/368150522.db2.gz TVSVGSBBHSNDJA-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027336631 368236428 /nfs/dbraw/zinc/23/64/28/368236428.db2.gz ZEKJRGZPJJUXEJ-UHFFFAOYSA-N 1 2 236.275 0.087 20 0 BCADLO CCc1nnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000039982992 368276297 /nfs/dbraw/zinc/27/62/97/368276297.db2.gz OHBBIKIIJKRQHJ-UHFFFAOYSA-N 1 2 237.288 0.936 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000042857409 368360660 /nfs/dbraw/zinc/36/06/60/368360660.db2.gz WKNFKEZPEVUFPH-SNVBAGLBSA-N 1 2 246.376 0.529 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)CCO1 ZINC000045752126 368430256 /nfs/dbraw/zinc/43/02/56/368430256.db2.gz VBPOZTXPMWEECR-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)CCO1 ZINC000045752126 368430261 /nfs/dbraw/zinc/43/02/61/368430261.db2.gz VBPOZTXPMWEECR-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCO[C@H](CC)C(=O)NCC[NH+]1CCOCC1 ZINC000057191245 368486498 /nfs/dbraw/zinc/48/64/98/368486498.db2.gz WBIOTJCXEWIILR-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058953386 368526256 /nfs/dbraw/zinc/52/62/56/368526256.db2.gz NWMUODUIJSIOAD-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csnn1 ZINC000058298154 368509258 /nfs/dbraw/zinc/50/92/58/368509258.db2.gz JWUINNHFTSXQQC-ZETCQYMHSA-N 1 2 237.288 0.553 20 0 BCADLO CCc1nc(C[N@H+](CCO)CC2CC2)no1 ZINC000064515991 368607156 /nfs/dbraw/zinc/60/71/56/368607156.db2.gz MCMQODWIWLDKHB-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CCc1nc(C[N@@H+](CCO)CC2CC2)no1 ZINC000064515991 368607161 /nfs/dbraw/zinc/60/71/61/368607161.db2.gz MCMQODWIWLDKHB-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO c1cnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc1 ZINC000066745661 368659462 /nfs/dbraw/zinc/65/94/62/368659462.db2.gz LPONUADXBVXWFI-NSHDSACASA-N 1 2 234.303 0.752 20 0 BCADLO c1cnc(NC[C@H]2C[N@H+](C3CC3)CCO2)nc1 ZINC000066745661 368659463 /nfs/dbraw/zinc/65/94/63/368659463.db2.gz LPONUADXBVXWFI-NSHDSACASA-N 1 2 234.303 0.752 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000068277210 368720579 /nfs/dbraw/zinc/72/05/79/368720579.db2.gz MVQPLWGPVQOLRZ-UHFFFAOYSA-N 1 2 204.233 0.641 20 0 BCADLO COC[C@@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000615952475 368761380 /nfs/dbraw/zinc/76/13/80/368761380.db2.gz GLYIJOMEFSMKIC-MRVPVSSYSA-N 1 2 241.291 0.422 20 0 BCADLO C[N@H+](CCO)CCS(=O)(=O)c1ccccc1 ZINC000070788140 368763795 /nfs/dbraw/zinc/76/37/95/368763795.db2.gz NYJAJODXOBEBDW-UHFFFAOYSA-N 1 2 243.328 0.384 20 0 BCADLO C[N@@H+](CCO)CCS(=O)(=O)c1ccccc1 ZINC000070788140 368763797 /nfs/dbraw/zinc/76/37/97/368763797.db2.gz NYJAJODXOBEBDW-UHFFFAOYSA-N 1 2 243.328 0.384 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1(CO)CCCC1 ZINC000622467361 370938813 /nfs/dbraw/zinc/93/88/13/370938813.db2.gz QNKNHDNWHRPONV-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO CCN(CCCO)C(=O)Cc1c[nH+]cn1C ZINC000622466676 370939148 /nfs/dbraw/zinc/93/91/48/370939148.db2.gz PLPOKFIUDBCYID-UHFFFAOYSA-N 1 2 225.292 0.194 20 0 BCADLO COC(=O)C1([NH2+]CCCO)CCCCC1 ZINC000072964264 368788047 /nfs/dbraw/zinc/78/80/47/368788047.db2.gz YBESVJOSDYQQBH-UHFFFAOYSA-N 1 2 215.293 0.834 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](O)C1CC1 ZINC000615960474 368793749 /nfs/dbraw/zinc/79/37/49/368793749.db2.gz LPHRXORZAIWANC-SCZZXKLOSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1CSC1 ZINC000616049493 368915611 /nfs/dbraw/zinc/91/56/11/368915611.db2.gz NPCMCAXHRPNRBS-UHFFFAOYSA-N 1 2 211.290 0.362 20 0 BCADLO Cc1cccn2c(NC(=O)[C@@H]3CC(=O)N3)c[nH+]c12 ZINC000619016085 368970455 /nfs/dbraw/zinc/97/04/55/368970455.db2.gz VMZPMWNQZKWNJP-QMMMGPOBSA-N 1 2 244.254 0.470 20 0 BCADLO CC(=O)NCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011005 368936305 /nfs/dbraw/zinc/93/63/05/368936305.db2.gz NKWMVLOSHGDFJQ-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000399983826 368939685 /nfs/dbraw/zinc/93/96/85/368939685.db2.gz LXCVFTBUQXCQQE-WDEREUQCSA-N 1 2 222.288 0.781 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000309983524 326178036 /nfs/dbraw/zinc/17/80/36/326178036.db2.gz PGRQZJPLLMIABS-ZJUUUORDSA-N 1 2 239.323 0.428 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000309983524 326178038 /nfs/dbraw/zinc/17/80/38/326178038.db2.gz PGRQZJPLLMIABS-ZJUUUORDSA-N 1 2 239.323 0.428 20 0 BCADLO CCc1cc(C(=O)NCCc2cn(C)c[nH+]2)[nH]n1 ZINC000457845267 203112559 /nfs/dbraw/zinc/11/25/59/203112559.db2.gz AQOGWJPCMSUUAE-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO CSCC(=O)NC1C[NH+](C(C)C)C1 ZINC000457739832 203097689 /nfs/dbraw/zinc/09/76/89/203097689.db2.gz JQZCTFKTVHTKBX-UHFFFAOYSA-N 1 2 202.323 0.558 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457862357 203113873 /nfs/dbraw/zinc/11/38/73/203113873.db2.gz QMBIPOLJMJGWPR-WDEREUQCSA-N 1 2 237.303 0.504 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156020657 326217268 /nfs/dbraw/zinc/21/72/68/326217268.db2.gz FVDHJPBIWGHAHR-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156020657 326217270 /nfs/dbraw/zinc/21/72/70/326217270.db2.gz FVDHJPBIWGHAHR-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000156020309 326217276 /nfs/dbraw/zinc/21/72/76/326217276.db2.gz YNRISEJJXFEENF-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000156020309 326217278 /nfs/dbraw/zinc/21/72/78/326217278.db2.gz YNRISEJJXFEENF-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619076726 369276573 /nfs/dbraw/zinc/27/65/73/369276573.db2.gz YVSVCRPLGLFTJL-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO COC(=O)[C@@H]([N@H+](C)CCO)C1(OC)CCC1 ZINC000459316634 203254338 /nfs/dbraw/zinc/25/43/38/203254338.db2.gz SVBOSYMHDFJWKW-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@@H]([N@@H+](C)CCO)C1(OC)CCC1 ZINC000459316634 203254340 /nfs/dbraw/zinc/25/43/40/203254340.db2.gz SVBOSYMHDFJWKW-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CCn1nncc1C[N@H+](CCOC)C1CC1 ZINC000459294598 203249153 /nfs/dbraw/zinc/24/91/53/203249153.db2.gz HBNPKOBMZOXOLV-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1nncc1C[N@@H+](CCOC)C1CC1 ZINC000459294598 203249154 /nfs/dbraw/zinc/24/91/54/203249154.db2.gz HBNPKOBMZOXOLV-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619075026 369274917 /nfs/dbraw/zinc/27/49/17/369274917.db2.gz XMSGDYMPLCFESN-VHSXEESVSA-N 1 2 235.287 0.303 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000400282371 369346856 /nfs/dbraw/zinc/34/68/56/369346856.db2.gz JUAJYNSBLQYNJH-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000400282371 369346857 /nfs/dbraw/zinc/34/68/57/369346857.db2.gz JUAJYNSBLQYNJH-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C(=O)OC ZINC000619430796 369349273 /nfs/dbraw/zinc/34/92/73/369349273.db2.gz YNDYXRABYLJNNC-MXWKQRLJSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000619433655 369353119 /nfs/dbraw/zinc/35/31/19/369353119.db2.gz IUZQTINXOLDMMV-IUCAKERBSA-N 1 2 241.266 0.506 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cncs2)C1 ZINC000459601401 203314546 /nfs/dbraw/zinc/31/45/46/203314546.db2.gz CJBVFFYETTTWDR-UHFFFAOYSA-N 1 2 225.317 0.711 20 0 BCADLO CC[C@H](O)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459564980 203302835 /nfs/dbraw/zinc/30/28/35/203302835.db2.gz WXNDZOAVNWSAFY-ONGXEEELSA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)c1ccc(C[NH+]2CC(C)(CO)C2)o1 ZINC000459617754 203319573 /nfs/dbraw/zinc/31/95/73/203319573.db2.gz CDYOSVQDQFVBRG-UHFFFAOYSA-N 1 2 239.271 0.880 20 0 BCADLO O=C(NC1C[NH+](CC2=CCCOC2)C1)C1CC1 ZINC000459623456 203321094 /nfs/dbraw/zinc/32/10/94/203321094.db2.gz WTUVPDOCOAENPZ-UHFFFAOYSA-N 1 2 236.315 0.544 20 0 BCADLO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)C(=O)OC ZINC000404178772 369421446 /nfs/dbraw/zinc/42/14/46/369421446.db2.gz AJLHKOJPKCZZBW-GXSJLCMTSA-N 1 2 231.292 0.069 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(C)CC1 ZINC000623690740 369421468 /nfs/dbraw/zinc/42/14/68/369421468.db2.gz PAFMRULOUOXJDQ-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(C)CC1 ZINC000623690740 369421472 /nfs/dbraw/zinc/42/14/72/369421472.db2.gz PAFMRULOUOXJDQ-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCO[C@H]1CC ZINC000459738980 203348660 /nfs/dbraw/zinc/34/86/60/203348660.db2.gz KCGJYCVJFIEGJW-BDAKNGLRSA-N 1 2 201.266 0.707 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000622510464 370973645 /nfs/dbraw/zinc/97/36/45/370973645.db2.gz DWRHIOXPLVQNAW-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000459775807 203365267 /nfs/dbraw/zinc/36/52/67/203365267.db2.gz MOKYEOYXOAJHTP-HLTSFMKQSA-N 1 2 201.266 0.705 20 0 BCADLO CCCCNC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459796368 203373770 /nfs/dbraw/zinc/37/37/70/203373770.db2.gz RJHVVHAWHOWLNS-SNVBAGLBSA-N 1 2 238.335 0.987 20 0 BCADLO COC(=O)[C@H]([NH2+]CCCO)C(C)(C)C ZINC000305045415 369588440 /nfs/dbraw/zinc/58/84/40/369588440.db2.gz ATAZSYXFIGTWNO-QMMMGPOBSA-N 1 2 203.282 0.546 20 0 BCADLO C[C@H](O)C1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000620067620 369702450 /nfs/dbraw/zinc/70/24/50/369702450.db2.gz MUODVIVGWZJFNS-VIFPVBQESA-N 1 2 223.276 0.303 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000620074535 369707312 /nfs/dbraw/zinc/70/73/12/369707312.db2.gz IGRNLRMWYOCXCP-IUCAKERBSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000620074535 369707315 /nfs/dbraw/zinc/70/73/15/369707315.db2.gz IGRNLRMWYOCXCP-IUCAKERBSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000620074534 369707408 /nfs/dbraw/zinc/70/74/08/369707408.db2.gz IGRNLRMWYOCXCP-DTWKUNHWSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000620074534 369707410 /nfs/dbraw/zinc/70/74/10/369707410.db2.gz IGRNLRMWYOCXCP-DTWKUNHWSA-N 1 2 237.303 0.618 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597649 369949229 /nfs/dbraw/zinc/94/92/29/369949229.db2.gz YAJBISJWFUMHEA-SFYZADRCSA-N 1 2 211.265 0.632 20 0 BCADLO CO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597647 369949367 /nfs/dbraw/zinc/94/93/67/369949367.db2.gz YAJBISJWFUMHEA-HTQZYQBOSA-N 1 2 211.265 0.632 20 0 BCADLO C[C@H](NC(=O)C1(O)CCC1)c1[nH+]ccn1C ZINC000620604055 369951511 /nfs/dbraw/zinc/95/15/11/369951511.db2.gz NOMRQKSIYLUXJL-QMMMGPOBSA-N 1 2 223.276 0.512 20 0 BCADLO C[C@H](NC(=O)C(C)(C)O)c1[nH+]ccn1C ZINC000620603669 369952046 /nfs/dbraw/zinc/95/20/46/369952046.db2.gz JYEOZLDSJFOWGS-ZETCQYMHSA-N 1 2 211.265 0.368 20 0 BCADLO C[C@H](NC(=O)c1cncnc1)c1[nH+]ccn1C ZINC000620605189 369953161 /nfs/dbraw/zinc/95/31/61/369953161.db2.gz ZNSJTFCBVRZOTK-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO C[C@H](NC(=O)c1cnn(C)c1N)c1[nH+]ccn1C ZINC000620605151 369953510 /nfs/dbraw/zinc/95/35/10/369953510.db2.gz ZDRCVGOFDVZGMD-ZETCQYMHSA-N 1 2 248.290 0.227 20 0 BCADLO C[C@@H](NC(=O)c1cncn1C)c1[nH+]ccn1C ZINC000620605798 369954630 /nfs/dbraw/zinc/95/46/30/369954630.db2.gz KIMMLSUGJHEPPR-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO C[C@@H](NC(=O)c1ncn(C)n1)c1[nH+]ccn1C ZINC000620608450 369956562 /nfs/dbraw/zinc/95/65/62/369956562.db2.gz OHEDWRNCQQKVQJ-SSDOTTSWSA-N 1 2 234.263 0.040 20 0 BCADLO Cc1ccn(CC(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000620609496 369957128 /nfs/dbraw/zinc/95/71/28/369957128.db2.gz RHZQXCMXOUJTEN-SNVBAGLBSA-N 1 2 247.302 0.802 20 0 BCADLO Cc1cnn(C)c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620611636 369958305 /nfs/dbraw/zinc/95/83/05/369958305.db2.gz MTNLGSIIWRQBMD-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000623705202 369976943 /nfs/dbraw/zinc/97/69/43/369976943.db2.gz KQMNQCBRBHPHIQ-MGCOHNPYSA-N 1 2 238.291 0.360 20 0 BCADLO COCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620596910 369947755 /nfs/dbraw/zinc/94/77/55/369947755.db2.gz VTOSVZBZIJABDD-MRVPVSSYSA-N 1 2 211.265 0.634 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000620871562 370022925 /nfs/dbraw/zinc/02/29/25/370022925.db2.gz WRGYMYKRIJTLFZ-GUBZILKMSA-N 1 2 235.287 0.085 20 0 BCADLO CCn1nccc1CNC(=O)CCn1cc[nH+]c1 ZINC000621115652 370112323 /nfs/dbraw/zinc/11/23/23/370112323.db2.gz HTJVXHHAQUTPFL-UHFFFAOYSA-N 1 2 247.302 0.806 20 0 BCADLO CC(C)COC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000111691811 370172418 /nfs/dbraw/zinc/17/24/18/370172418.db2.gz OJMFQURFCRXWRD-NSHDSACASA-N 1 2 249.376 0.084 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075509499 370140777 /nfs/dbraw/zinc/14/07/77/370140777.db2.gz NBAQWFOASQXMTN-PSASIEDQSA-N 1 2 243.270 0.801 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@H]1O ZINC000621299703 370227859 /nfs/dbraw/zinc/22/78/59/370227859.db2.gz MUQAIQTZAQIECK-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@H]1O ZINC000621299703 370227863 /nfs/dbraw/zinc/22/78/63/370227863.db2.gz MUQAIQTZAQIECK-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CN(C)c1nccc(CNc2c[nH]c[nH+]2)n1 ZINC000309592226 370234091 /nfs/dbraw/zinc/23/40/91/370234091.db2.gz VCFKHWWPQPSEJB-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1CO ZINC000621366759 370301756 /nfs/dbraw/zinc/30/17/56/370301756.db2.gz QMLCVJHROYQSMT-ZJUUUORDSA-N 1 2 224.308 0.265 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1CO ZINC000621366759 370301762 /nfs/dbraw/zinc/30/17/62/370301762.db2.gz QMLCVJHROYQSMT-ZJUUUORDSA-N 1 2 224.308 0.265 20 0 BCADLO COC(=O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000310127719 370304803 /nfs/dbraw/zinc/30/48/03/370304803.db2.gz GOVRFMUEKOOYHR-SECBINFHSA-N 1 2 237.259 0.047 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)C[C@@H]1CO ZINC000621374218 370315264 /nfs/dbraw/zinc/31/52/64/370315264.db2.gz WNNCYBBEOKAKOH-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1CO ZINC000621374218 370315267 /nfs/dbraw/zinc/31/52/67/370315267.db2.gz WNNCYBBEOKAKOH-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)c1ccccc1 ZINC000311042138 370381871 /nfs/dbraw/zinc/38/18/71/370381871.db2.gz PEMPZBSLFDVIAL-GFCCVEGCSA-N 1 2 245.282 0.733 20 0 BCADLO CC(C)(C)OC(=O)CC[N@@H+]1CCOC[C@H]1CO ZINC000161546030 370326890 /nfs/dbraw/zinc/32/68/90/370326890.db2.gz UVTDGHDZAHOHKF-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)OC(=O)CC[N@H+]1CCOC[C@H]1CO ZINC000161546030 370326891 /nfs/dbraw/zinc/32/68/91/370326891.db2.gz UVTDGHDZAHOHKF-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000077377233 370414590 /nfs/dbraw/zinc/41/45/90/370414590.db2.gz VICPNHCTKSDSAW-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000077377233 370414596 /nfs/dbraw/zinc/41/45/96/370414596.db2.gz VICPNHCTKSDSAW-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)CC ZINC000077377231 370414751 /nfs/dbraw/zinc/41/47/51/370414751.db2.gz VICPNHCTKSDSAW-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CC ZINC000077377231 370414757 /nfs/dbraw/zinc/41/47/57/370414757.db2.gz VICPNHCTKSDSAW-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO Cc1nccnc1C[N@@H+](CC(N)=O)C(C)C ZINC000621709735 370454072 /nfs/dbraw/zinc/45/40/72/370454072.db2.gz CAMYPQSJGTVJKA-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1nccnc1C[N@H+](CC(N)=O)C(C)C ZINC000621709735 370454079 /nfs/dbraw/zinc/45/40/79/370454079.db2.gz CAMYPQSJGTVJKA-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1nccnc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000621710798 370455983 /nfs/dbraw/zinc/45/59/83/370455983.db2.gz QTVKOIMOQRLQEV-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1nccnc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000621710798 370455987 /nfs/dbraw/zinc/45/59/87/370455987.db2.gz QTVKOIMOQRLQEV-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nccnc1C ZINC000621711676 370457278 /nfs/dbraw/zinc/45/72/78/370457278.db2.gz CPDLLHQHKAZAPR-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nccnc1C ZINC000621711676 370457280 /nfs/dbraw/zinc/45/72/80/370457280.db2.gz CPDLLHQHKAZAPR-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2nccnc2C)[C@H](C)C1 ZINC000621716936 370465969 /nfs/dbraw/zinc/46/59/69/370465969.db2.gz RISFGHRFILCWLF-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2nccnc2C)[C@H](C)C1 ZINC000621716936 370465972 /nfs/dbraw/zinc/46/59/72/370465972.db2.gz RISFGHRFILCWLF-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000621724921 370476449 /nfs/dbraw/zinc/47/64/49/370476449.db2.gz YCZOLTQKLYGRPX-ZJUUUORDSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000621724921 370476457 /nfs/dbraw/zinc/47/64/57/370476457.db2.gz YCZOLTQKLYGRPX-ZJUUUORDSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000621730337 370483909 /nfs/dbraw/zinc/48/39/09/370483909.db2.gz ISVXGSYFGFAPSK-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO Cc1nccnc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000621730337 370483915 /nfs/dbraw/zinc/48/39/15/370483915.db2.gz ISVXGSYFGFAPSK-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000621731581 370486353 /nfs/dbraw/zinc/48/63/53/370486353.db2.gz UCOSPFAJXZTRNK-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000621731581 370486354 /nfs/dbraw/zinc/48/63/54/370486354.db2.gz UCOSPFAJXZTRNK-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)CCOC(C)C ZINC000349898540 370633344 /nfs/dbraw/zinc/63/33/44/370633344.db2.gz UKZHJKGSXXTQFD-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CCOC(C)C ZINC000349898540 370633347 /nfs/dbraw/zinc/63/33/47/370633347.db2.gz UKZHJKGSXXTQFD-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NCc2ccco2)on1 ZINC000631039978 370997114 /nfs/dbraw/zinc/99/71/14/370997114.db2.gz OCXYZJSNUFWWJJ-UHFFFAOYSA-N 1 2 249.270 0.982 20 0 BCADLO CC(C)(C(=O)NCc1ccno1)c1c[nH]c[nH+]1 ZINC000621944075 370613318 /nfs/dbraw/zinc/61/33/18/370613318.db2.gz VVQHDBRWKIETRN-UHFFFAOYSA-N 1 2 234.259 0.992 20 0 BCADLO CC(C)(CO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000622635210 371027758 /nfs/dbraw/zinc/02/77/58/371027758.db2.gz ZHZZBTYXKGZTTI-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CCC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000622682768 371061138 /nfs/dbraw/zinc/06/11/38/371061138.db2.gz NXGKYCZKJHSOEU-UHFFFAOYSA-N 1 2 207.277 0.831 20 0 BCADLO CC[C@@H](O)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622686522 371062922 /nfs/dbraw/zinc/06/29/22/371062922.db2.gz LIMQHCUDYLSVIJ-SNVBAGLBSA-N 1 2 225.292 0.240 20 0 BCADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)n1cccn1 ZINC000622686107 371063885 /nfs/dbraw/zinc/06/38/85/371063885.db2.gz ZSBOKWAIMXCIQX-JTQLQIEISA-N 1 2 247.302 0.537 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC2(F)F)c1 ZINC000622686712 371064085 /nfs/dbraw/zinc/06/40/85/371064085.db2.gz QNFOHXXHVQRVQH-QMMMGPOBSA-N 1 2 229.230 0.734 20 0 BCADLO Cc1cnc(CNCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000623759756 371084979 /nfs/dbraw/zinc/08/49/79/371084979.db2.gz ZJIFDNMZMMJYHX-SNVBAGLBSA-N 1 2 241.360 0.608 20 0 BCADLO Cc1cnc(CNCC[N@H+]2CC[C@@H](O)C2)s1 ZINC000623759756 371084982 /nfs/dbraw/zinc/08/49/82/371084982.db2.gz ZJIFDNMZMMJYHX-SNVBAGLBSA-N 1 2 241.360 0.608 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000623842085 371123671 /nfs/dbraw/zinc/12/36/71/371123671.db2.gz DMUGFBTVBPMQNI-NSHDSACASA-N 1 2 248.330 0.961 20 0 BCADLO C[C@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CCCCO1 ZINC000623927587 371158823 /nfs/dbraw/zinc/15/88/23/371158823.db2.gz NHZITYULJJFVRK-UWVGGRQHSA-N 1 2 224.308 0.862 20 0 BCADLO CCOC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000155068273 371191405 /nfs/dbraw/zinc/19/14/05/371191405.db2.gz NXTPUSUZLIOFCZ-UHFFFAOYSA-N 1 2 245.319 0.413 20 0 BCADLO Cn1cnc(C[NH2+]C[C@@](C)(O)C(F)(F)F)n1 ZINC000390264088 371192631 /nfs/dbraw/zinc/19/26/31/371192631.db2.gz PBFXDCXFTAOBBQ-SSDOTTSWSA-N 1 2 238.213 0.218 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+]Cc1ccn[nH]1 ZINC000389975883 371183973 /nfs/dbraw/zinc/18/39/73/371183973.db2.gz FNHCSEFSKWYESK-MRVPVSSYSA-N 1 2 206.253 0.180 20 0 BCADLO C[C@@H](Cn1cncn1)[NH2+]Cc1ccn[nH]1 ZINC000389975885 371184027 /nfs/dbraw/zinc/18/40/27/371184027.db2.gz FNHCSEFSKWYESK-QMMMGPOBSA-N 1 2 206.253 0.180 20 0 BCADLO CCc1nc(C[N@H+](C)C(C)(C)CO)no1 ZINC000124798644 371235497 /nfs/dbraw/zinc/23/54/97/371235497.db2.gz DJOPGBZJHGCERI-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)C(C)(C)CO)no1 ZINC000124798644 371235501 /nfs/dbraw/zinc/23/55/01/371235501.db2.gz DJOPGBZJHGCERI-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC000280322041 371316934 /nfs/dbraw/zinc/31/69/34/371316934.db2.gz QLACCIZUJYZBEZ-VXNVDRBHSA-N 1 2 241.316 0.779 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC000280322041 371316939 /nfs/dbraw/zinc/31/69/39/371316939.db2.gz QLACCIZUJYZBEZ-VXNVDRBHSA-N 1 2 241.316 0.779 20 0 BCADLO CC/C=C\CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624151001 371348689 /nfs/dbraw/zinc/34/86/89/371348689.db2.gz DTLIQUFXHZKHNN-WYGGZMRJSA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C\CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624151001 371348692 /nfs/dbraw/zinc/34/86/92/371348692.db2.gz DTLIQUFXHZKHNN-WYGGZMRJSA-N 1 2 241.335 0.582 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1c(C)nn(C)c1C ZINC000624190286 371378790 /nfs/dbraw/zinc/37/87/90/371378790.db2.gz OKBXKUSQGCLPDH-UHFFFAOYSA-N 1 2 238.335 0.605 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000624190286 371378796 /nfs/dbraw/zinc/37/87/96/371378796.db2.gz OKBXKUSQGCLPDH-UHFFFAOYSA-N 1 2 238.335 0.605 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC12CC2 ZINC000624245446 371431502 /nfs/dbraw/zinc/43/15/02/371431502.db2.gz DPFHPBLKMCUYPD-UWVGGRQHSA-N 1 2 239.319 0.169 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC12CC2 ZINC000624245446 371431507 /nfs/dbraw/zinc/43/15/07/371431507.db2.gz DPFHPBLKMCUYPD-UWVGGRQHSA-N 1 2 239.319 0.169 20 0 BCADLO COc1cccnc1NC[C@@H]1COCC[N@@H+]1C ZINC000624621469 371550886 /nfs/dbraw/zinc/55/08/86/371550886.db2.gz AMXPZTKFGVKYRD-SNVBAGLBSA-N 1 2 237.303 0.833 20 0 BCADLO COc1cccnc1NC[C@@H]1COCC[N@H+]1C ZINC000624621469 371550890 /nfs/dbraw/zinc/55/08/90/371550890.db2.gz AMXPZTKFGVKYRD-SNVBAGLBSA-N 1 2 237.303 0.833 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccn(C)n1 ZINC000225754679 371574798 /nfs/dbraw/zinc/57/47/98/371574798.db2.gz CNDZRCGKPBEQKL-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371858 371589868 /nfs/dbraw/zinc/58/98/68/371589868.db2.gz URMBXXDZGXAHOY-SNVBAGLBSA-N 1 2 223.276 0.311 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371858 371589875 /nfs/dbraw/zinc/58/98/75/371589875.db2.gz URMBXXDZGXAHOY-SNVBAGLBSA-N 1 2 223.276 0.311 20 0 BCADLO Nc1n[nH]c(SCCCn2cc[nH+]c2)n1 ZINC000049328344 181788931 /nfs/dbraw/zinc/78/89/31/181788931.db2.gz VWZHCYIGVONRDU-UHFFFAOYSA-N 1 2 224.293 0.766 20 0 BCADLO CO[C@@H]1C[NH+](Cc2nnc(C)o2)C[C@H]1OC ZINC000351645850 371650550 /nfs/dbraw/zinc/65/05/50/371650550.db2.gz FMOQOXUAQWMPNZ-RKDXNWHRSA-N 1 2 227.264 0.224 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COCC(F)F ZINC000627599484 371770392 /nfs/dbraw/zinc/77/03/92/371770392.db2.gz MVKCEBGSDRQYIN-UHFFFAOYSA-N 1 2 247.245 0.801 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCOC1)CC2 ZINC000627611135 371779731 /nfs/dbraw/zinc/77/97/31/371779731.db2.gz LSHXLQUVBCDKKF-JTQLQIEISA-N 1 2 235.287 0.570 20 0 BCADLO COC1CC(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000627713230 371875419 /nfs/dbraw/zinc/87/54/19/371875419.db2.gz KQJIZIHFWDUOJU-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO CC[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000627727428 371906365 /nfs/dbraw/zinc/90/63/65/371906365.db2.gz NPKGOGRYALWHHU-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2ncnn2C)c[nH+]1 ZINC000627899778 372121236 /nfs/dbraw/zinc/12/12/36/372121236.db2.gz RJNUYEQLJQBCBX-UHFFFAOYSA-N 1 2 248.290 0.209 20 0 BCADLO OC[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631171738 372217783 /nfs/dbraw/zinc/21/77/83/372217783.db2.gz HYSOBMLQSNWIIP-LLVKDONJSA-N 1 2 218.256 1.000 20 0 BCADLO Cc1noc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000631329055 372299034 /nfs/dbraw/zinc/29/90/34/372299034.db2.gz LFWAQIYRGMKVJT-ZETCQYMHSA-N 1 2 235.247 0.393 20 0 BCADLO O=C(CCC1(O)CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000631301260 372284564 /nfs/dbraw/zinc/28/45/64/372284564.db2.gz JJPLHCDTHZOGTC-UHFFFAOYSA-N 1 2 249.314 0.962 20 0 BCADLO Cc1cc(N[C@H]2C(=O)NCC2(C)C)nc[nH+]1 ZINC000631369999 372319508 /nfs/dbraw/zinc/31/95/08/372319508.db2.gz VPMWBWGSJCCXQU-VIFPVBQESA-N 1 2 220.276 0.722 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1nc(C2CC2)no1 ZINC000631383485 372327794 /nfs/dbraw/zinc/32/77/94/372327794.db2.gz GRGCTWLZAZUXQA-UHFFFAOYSA-N 1 2 233.231 0.600 20 0 BCADLO O[C@@H]1CCOC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000631528384 372411155 /nfs/dbraw/zinc/41/11/55/372411155.db2.gz CGZPHWNSUXIOSJ-CHWSQXEVSA-N 1 2 245.282 0.613 20 0 BCADLO C[C@H]1CCCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000631559871 372423229 /nfs/dbraw/zinc/42/32/29/372423229.db2.gz LIDRTDWAUFCOHU-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)NC(C)(C)C1=O ZINC000171542387 372690048 /nfs/dbraw/zinc/69/00/48/372690048.db2.gz JSJHVBQFQNPWSH-UHFFFAOYSA-N 1 2 236.275 0.733 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)Nc1cc(C)[nH+]cc1C ZINC000632023377 372728975 /nfs/dbraw/zinc/72/89/75/372728975.db2.gz LHKZVIMJZQXSII-LLVKDONJSA-N 1 2 249.314 0.974 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(F)F ZINC000171992101 372849045 /nfs/dbraw/zinc/84/90/45/372849045.db2.gz BYHKRJOEMLXJCS-BQBZGAKWSA-N 1 2 206.236 0.837 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(F)F ZINC000171992101 372849048 /nfs/dbraw/zinc/84/90/48/372849048.db2.gz BYHKRJOEMLXJCS-BQBZGAKWSA-N 1 2 206.236 0.837 20 0 BCADLO O=C(C[C@@H]1CCCO1)Nc1cc[nH+]cc1O ZINC000358359075 182019746 /nfs/dbraw/zinc/01/97/46/182019746.db2.gz SZTXQTYSAFFTLY-QMMMGPOBSA-N 1 2 222.244 0.717 20 0 BCADLO Cc1conc1C(=O)NCCc1c[nH+]cn1C ZINC000632390428 372913142 /nfs/dbraw/zinc/91/31/42/372913142.db2.gz ATLDNPFAZBOAGM-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO O=C(C[C@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290853842 182028124 /nfs/dbraw/zinc/02/81/24/182028124.db2.gz AUKPIISGUUFVSJ-LLVKDONJSA-N 1 2 235.287 0.794 20 0 BCADLO CCN(C(=O)N1CC[N@H+](C)C[C@@H]1CO)C(C)C ZINC000632578168 373015746 /nfs/dbraw/zinc/01/57/46/373015746.db2.gz OVLFQXJIZFDNPW-LLVKDONJSA-N 1 2 243.351 0.445 20 0 BCADLO CCN(C(=O)N1CC[N@@H+](C)C[C@@H]1CO)C(C)C ZINC000632578168 373015749 /nfs/dbraw/zinc/01/57/49/373015749.db2.gz OVLFQXJIZFDNPW-LLVKDONJSA-N 1 2 243.351 0.445 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NCCCCO ZINC000236492801 182058698 /nfs/dbraw/zinc/05/86/98/182058698.db2.gz YSNMNBPLWGFUCU-UHFFFAOYSA-N 1 2 247.298 0.766 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCOC1 ZINC000337462718 182059299 /nfs/dbraw/zinc/05/92/99/182059299.db2.gz NCPVEDBOCXVHOJ-JTQLQIEISA-N 1 2 245.282 0.782 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC1(O)CCC1 ZINC000285744090 182071675 /nfs/dbraw/zinc/07/16/75/182071675.db2.gz XZSFAZXZFRDFKC-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCOC1 ZINC000330896704 182071409 /nfs/dbraw/zinc/07/14/09/182071409.db2.gz NNSSIXNASQCOAQ-JTQLQIEISA-N 1 2 223.276 0.426 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@]2(C1)CCCOC2 ZINC000357104937 182071094 /nfs/dbraw/zinc/07/10/94/182071094.db2.gz XXXVJSLHAWIHLB-ZDUSSCGKSA-N 1 2 249.314 0.912 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOCC(F)(F)C1 ZINC000336398970 182071243 /nfs/dbraw/zinc/07/12/43/182071243.db2.gz GAZWFCUDEGVHJF-UHFFFAOYSA-N 1 2 245.229 0.377 20 0 BCADLO O=S(=O)(C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000173071426 373154593 /nfs/dbraw/zinc/15/45/93/373154593.db2.gz JVSDEZRVINQWMR-UHFFFAOYSA-N 1 2 230.333 0.259 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356550252 182085241 /nfs/dbraw/zinc/08/52/41/182085241.db2.gz OJXXJGJRCLCRGB-AVPPRXQKSA-N 1 2 234.255 0.573 20 0 BCADLO COC[C@@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632983768 373243444 /nfs/dbraw/zinc/24/34/44/373243444.db2.gz YCDJTNZIQWDTNA-VIFPVBQESA-N 1 2 240.307 0.834 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000633017414 373253570 /nfs/dbraw/zinc/25/35/70/373253570.db2.gz UYNUROUSBXXDMZ-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Nc1cccnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000633141048 373306462 /nfs/dbraw/zinc/30/64/62/373306462.db2.gz YGJOQOXRTSKIJI-UHFFFAOYSA-N 1 2 243.270 0.516 20 0 BCADLO O=C(NC1CC1)N1CCn2c[nH+]cc2C1 ZINC000368668426 182095485 /nfs/dbraw/zinc/09/54/85/182095485.db2.gz WWWLRONVZVESLJ-UHFFFAOYSA-N 1 2 206.249 0.571 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000633170522 373319092 /nfs/dbraw/zinc/31/90/92/373319092.db2.gz MZWRCDJRZSVVNJ-APPZFPTMSA-N 1 2 238.291 0.502 20 0 BCADLO C[C@@H](NC(=O)c1c[nH]c(=O)n1C)c1[nH]cc[nH+]1 ZINC000633170489 373319387 /nfs/dbraw/zinc/31/93/87/373319387.db2.gz MAQKFNSLOPAWFZ-ZCFIWIBFSA-N 1 2 235.247 0.340 20 0 BCADLO Cc1[nH]c(C(=O)NCc2conc2C)c[nH+]1 ZINC000633276277 373437199 /nfs/dbraw/zinc/43/71/99/373437199.db2.gz ZKMXYYRTALLTSS-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO O=C(CCC1(O)CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304371 373462928 /nfs/dbraw/zinc/46/29/28/373462928.db2.gz IWFPEACGXGGLSC-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000633335429 373481867 /nfs/dbraw/zinc/48/18/67/373481867.db2.gz YCJAZOZGDMQZQA-DTWKUNHWSA-N 1 2 238.291 0.729 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)F ZINC000633370831 373502383 /nfs/dbraw/zinc/50/23/83/373502383.db2.gz LEZMOEVEUUQJQY-SECBINFHSA-N 1 2 247.314 0.364 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)F ZINC000633370831 373502390 /nfs/dbraw/zinc/50/23/90/373502390.db2.gz LEZMOEVEUUQJQY-SECBINFHSA-N 1 2 247.314 0.364 20 0 BCADLO CO[C@@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633352114 373489558 /nfs/dbraw/zinc/48/95/58/373489558.db2.gz NIFIQOPTPQKUPM-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO CN(C)c1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000173459874 373549121 /nfs/dbraw/zinc/54/91/21/373549121.db2.gz YTCQXGSRBZHTKM-UHFFFAOYSA-N 1 2 233.315 0.684 20 0 BCADLO CN(C)c1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000173459874 373549125 /nfs/dbraw/zinc/54/91/25/373549125.db2.gz YTCQXGSRBZHTKM-UHFFFAOYSA-N 1 2 233.315 0.684 20 0 BCADLO C[C@H](C1CC1)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193295809 205698803 /nfs/dbraw/zinc/69/88/03/205698803.db2.gz PDBFNAZUAIMQTL-MRVPVSSYSA-N 1 2 221.308 0.973 20 0 BCADLO C[C@H](C1CC1)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193295809 205698809 /nfs/dbraw/zinc/69/88/09/205698809.db2.gz PDBFNAZUAIMQTL-MRVPVSSYSA-N 1 2 221.308 0.973 20 0 BCADLO CCC[C@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000633822820 373772125 /nfs/dbraw/zinc/77/21/25/373772125.db2.gz DELFSZJWSISKQP-SECBINFHSA-N 1 2 225.292 0.999 20 0 BCADLO O=C(NCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000305075354 182172534 /nfs/dbraw/zinc/17/25/34/182172534.db2.gz QZQFIFXIDNWYCI-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO O=C(NCCCF)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370681265 182167806 /nfs/dbraw/zinc/16/78/06/182167806.db2.gz AYZAPFZRIQPXMD-QMMMGPOBSA-N 1 2 240.282 0.926 20 0 BCADLO O=C(NCCCF)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370681265 182167807 /nfs/dbraw/zinc/16/78/07/182167807.db2.gz AYZAPFZRIQPXMD-QMMMGPOBSA-N 1 2 240.282 0.926 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)Nc1cncnc1 ZINC000274369473 182177838 /nfs/dbraw/zinc/17/78/38/182177838.db2.gz ROFFAHAWDFQYKN-UHFFFAOYSA-N 1 2 246.274 0.885 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cncc(O)c1 ZINC000104410829 182179193 /nfs/dbraw/zinc/17/91/93/182179193.db2.gz UODZCUKPIJRDSC-UHFFFAOYSA-N 1 2 246.270 0.804 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@]12CCOC2 ZINC000364081160 182179344 /nfs/dbraw/zinc/17/93/44/182179344.db2.gz LMOOPZUMZNFFRP-AAEUAGOBSA-N 1 2 249.314 0.816 20 0 BCADLO O=C(NCCF)NCc1cn2c([nH+]1)CCCC2 ZINC000281863153 182180410 /nfs/dbraw/zinc/18/04/10/182180410.db2.gz RYTXOWJLPWNKMA-UHFFFAOYSA-N 1 2 240.282 0.988 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1ncccc1O ZINC000337573210 182185872 /nfs/dbraw/zinc/18/58/72/182185872.db2.gz DUGRQLRIBAABBJ-UHFFFAOYSA-N 1 2 221.260 0.223 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)c1ccc[nH]1 ZINC000013493584 182186748 /nfs/dbraw/zinc/18/67/48/182186748.db2.gz NFKFSJOBVZCTGQ-UHFFFAOYSA-N 1 2 223.276 0.077 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)C(F)F ZINC000289359593 182188712 /nfs/dbraw/zinc/18/87/12/182188712.db2.gz AAHWWFFKBZGBMP-UHFFFAOYSA-N 1 2 215.203 0.875 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)O1 ZINC000634024611 373910076 /nfs/dbraw/zinc/91/00/76/373910076.db2.gz UPLINHXEOHLWPM-OPRDCNLKSA-N 1 2 223.276 0.565 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000368088810 182214656 /nfs/dbraw/zinc/21/46/56/182214656.db2.gz GCLLBLLAYJXFCL-GRYCIOLGSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1SCCS1 ZINC000270497273 182214729 /nfs/dbraw/zinc/21/47/29/182214729.db2.gz LUAVETFWENMBKM-UHFFFAOYSA-N 1 2 243.357 0.805 20 0 BCADLO CC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000634192058 374010308 /nfs/dbraw/zinc/01/03/08/374010308.db2.gz VYBMQMCMUBDSBU-QMMMGPOBSA-N 1 2 235.287 0.420 20 0 BCADLO CC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000634192058 374010315 /nfs/dbraw/zinc/01/03/15/374010315.db2.gz VYBMQMCMUBDSBU-QMMMGPOBSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1cnns1 ZINC000190780316 182215778 /nfs/dbraw/zinc/21/57/78/182215778.db2.gz LZTOKPBHWYNHRT-UHFFFAOYSA-N 1 2 238.276 0.556 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C[C@H]1C1CC1 ZINC000634171973 373981950 /nfs/dbraw/zinc/98/19/50/373981950.db2.gz FLLOUFHHQCOVHB-NEPJUHHUSA-N 1 2 249.314 0.334 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccon1 ZINC000128718682 182211643 /nfs/dbraw/zinc/21/16/43/182211643.db2.gz KUJAFWHDYYJEBY-UHFFFAOYSA-N 1 2 206.205 0.370 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000170787749 182216997 /nfs/dbraw/zinc/21/69/97/182216997.db2.gz DYAOCWRCRFKUPX-JTQLQIEISA-N 1 2 223.276 0.426 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000372742077 182232554 /nfs/dbraw/zinc/23/25/54/182232554.db2.gz PDTREUZWMOBQMW-QWRGUYRKSA-N 1 2 249.314 0.333 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000070245847 374132384 /nfs/dbraw/zinc/13/23/84/374132384.db2.gz NNDDIYPTSXZKNX-ZDUSSCGKSA-N 1 2 246.310 0.764 20 0 BCADLO CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070264965 374136318 /nfs/dbraw/zinc/13/63/18/374136318.db2.gz XTYUGARCFZZKST-SNVBAGLBSA-N 1 2 232.349 0.506 20 0 BCADLO CCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000070264965 374136321 /nfs/dbraw/zinc/13/63/21/374136321.db2.gz XTYUGARCFZZKST-SNVBAGLBSA-N 1 2 232.349 0.506 20 0 BCADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@@H]1CCOC1 ZINC000331503198 182242779 /nfs/dbraw/zinc/24/27/79/182242779.db2.gz IBJISVAEJFPTCT-GHMZBOCLSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CCC1 ZINC000114855533 182245956 /nfs/dbraw/zinc/24/59/56/182245956.db2.gz VZSBAVYAFXCUEC-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1CCC1 ZINC000114855533 182245957 /nfs/dbraw/zinc/24/59/57/182245957.db2.gz VZSBAVYAFXCUEC-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](O)C1CCCCC1 ZINC000331242377 182273958 /nfs/dbraw/zinc/27/39/58/182273958.db2.gz PHJCKLKCXHAKDE-NSHDSACASA-N 1 2 237.303 0.967 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C(F)F ZINC000338175433 182274349 /nfs/dbraw/zinc/27/43/49/182274349.db2.gz FDOGWOOIWDFDRA-WDSKDSINSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H](O)Cc1ccccc1 ZINC000356152605 182270830 /nfs/dbraw/zinc/27/08/30/182270830.db2.gz LVJADGLHFOEYBO-LBPRGKRZSA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H](O)Cc1ccccc1 ZINC000356152605 182270831 /nfs/dbraw/zinc/27/08/31/182270831.db2.gz LVJADGLHFOEYBO-LBPRGKRZSA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1(O)CCCC1 ZINC000267175850 182272224 /nfs/dbraw/zinc/27/22/24/182272224.db2.gz MZFIRQLDCZFTAI-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO O=C(NN1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375408143 182276903 /nfs/dbraw/zinc/27/69/03/182276903.db2.gz BJHPYJPMKPIKLS-QMMMGPOBSA-N 1 2 233.262 0.501 20 0 BCADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)C[C@H]1F ZINC000424519201 206041513 /nfs/dbraw/zinc/04/15/13/206041513.db2.gz AIGQZPSCTRMKAO-MWLCHTKSSA-N 1 2 230.283 0.183 20 0 BCADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1F ZINC000424519195 206042066 /nfs/dbraw/zinc/04/20/66/206042066.db2.gz AIGQZPSCTRMKAO-GXSJLCMTSA-N 1 2 230.283 0.183 20 0 BCADLO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375410188 182292480 /nfs/dbraw/zinc/29/24/80/182292480.db2.gz FNBZZJLSZJJZFB-VGMNWLOBSA-N 1 2 248.273 0.403 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000428234997 206055699 /nfs/dbraw/zinc/05/56/99/206055699.db2.gz FUMKHOOZPPZHSI-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000428234997 206055703 /nfs/dbraw/zinc/05/57/03/206055703.db2.gz FUMKHOOZPPZHSI-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC(C)(F)F)C1 ZINC000429981436 206062378 /nfs/dbraw/zinc/06/23/78/206062378.db2.gz YAHJQRGKQSDQRP-SECBINFHSA-N 1 2 249.305 0.394 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC(C)(F)F)C1 ZINC000429981436 206062379 /nfs/dbraw/zinc/06/23/79/206062379.db2.gz YAHJQRGKQSDQRP-SECBINFHSA-N 1 2 249.305 0.394 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2(C)CC2)C1 ZINC000429990100 206062881 /nfs/dbraw/zinc/06/28/81/206062881.db2.gz MKLMCSUFURLOTC-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(C)CC2)C1 ZINC000429990100 206062886 /nfs/dbraw/zinc/06/28/86/206062886.db2.gz MKLMCSUFURLOTC-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCCOC2)n1 ZINC000194435328 206090441 /nfs/dbraw/zinc/09/04/41/206090441.db2.gz QLMPRHNFBXMWLI-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCCOC2)n1 ZINC000194435328 206090443 /nfs/dbraw/zinc/09/04/43/206090443.db2.gz QLMPRHNFBXMWLI-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CC(C)c1ncc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000440468965 206076790 /nfs/dbraw/zinc/07/67/90/206076790.db2.gz XUWJYPSELCYLAC-LLVKDONJSA-N 1 2 248.330 0.920 20 0 BCADLO CC(C)c1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000440468965 206076794 /nfs/dbraw/zinc/07/67/94/206076794.db2.gz XUWJYPSELCYLAC-LLVKDONJSA-N 1 2 248.330 0.920 20 0 BCADLO O=C(N[C@H]1CCN(Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC000369188668 182334801 /nfs/dbraw/zinc/33/48/01/182334801.db2.gz QWQLRLPIWYRJGX-NSHDSACASA-N 1 2 248.330 0.900 20 0 BCADLO O=C(Nc1cc(F)cc(F)c1)[C@@H]1COCC[NH2+]1 ZINC000088357771 182349132 /nfs/dbraw/zinc/34/91/32/182349132.db2.gz CLSWLXPDUCIUMC-JTQLQIEISA-N 1 2 242.225 0.892 20 0 BCADLO COC1C[NH+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000459579154 206136221 /nfs/dbraw/zinc/13/62/21/206136221.db2.gz JCCRVMJNFGSRMS-UHFFFAOYSA-N 1 2 248.282 0.848 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CC[NH2+]C1 ZINC000113203110 182363133 /nfs/dbraw/zinc/36/31/33/182363133.db2.gz YWJFVNPDVJWMJJ-ZETCQYMHSA-N 1 2 231.259 0.506 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115741534 170059567 /nfs/dbraw/zinc/05/95/67/170059567.db2.gz VRSXUJKVMLKTCV-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115741534 170059569 /nfs/dbraw/zinc/05/95/69/170059569.db2.gz VRSXUJKVMLKTCV-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO O=C1NCCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000040504364 182797695 /nfs/dbraw/zinc/79/76/95/182797695.db2.gz TXLQQOHHJXQWSU-VIFPVBQESA-N 1 2 225.317 0.901 20 0 BCADLO O=C1NCCC[C@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000334154826 182802550 /nfs/dbraw/zinc/80/25/50/182802550.db2.gz SQEWZQMIAZEHDQ-SECBINFHSA-N 1 2 247.289 0.148 20 0 BCADLO O=c1nc(C2CC[NH+](Cc3c[nH]cn3)CC2)[nH][nH]1 ZINC000289444670 183009704 /nfs/dbraw/zinc/00/97/04/183009704.db2.gz OPVVCGSFQKCXQP-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc(C2CC[NH+](Cc3cnc[nH]3)CC2)[nH][nH]1 ZINC000289444670 183009706 /nfs/dbraw/zinc/00/97/06/183009706.db2.gz OPVVCGSFQKCXQP-UHFFFAOYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc(C[N@H+](Cc2ccccn2)C2CC2)[nH][nH]1 ZINC000271729110 183009840 /nfs/dbraw/zinc/00/98/40/183009840.db2.gz TVWNLBAUIJUHRH-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO O=c1nc(C[N@@H+](Cc2ccccn2)C2CC2)[nH][nH]1 ZINC000271729110 183009841 /nfs/dbraw/zinc/00/98/41/183009841.db2.gz TVWNLBAUIJUHRH-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO OC1(C2CC2)C[NH+](CCOCC(F)F)C1 ZINC000373173699 183015968 /nfs/dbraw/zinc/01/59/68/183015968.db2.gz QDSKWVDIDHMTGT-UHFFFAOYSA-N 1 2 221.247 0.725 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000328676209 183026366 /nfs/dbraw/zinc/02/63/66/183026366.db2.gz RMTKYLQFGNADSE-SECBINFHSA-N 1 2 206.249 0.497 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCc2n[nH]cc2C1 ZINC000328676209 183026367 /nfs/dbraw/zinc/02/63/67/183026367.db2.gz RMTKYLQFGNADSE-SECBINFHSA-N 1 2 206.249 0.497 20 0 BCADLO OCC[N@@H+](Cc1ncnn1CCF)CC1CC1 ZINC000352458628 183072396 /nfs/dbraw/zinc/07/23/96/183072396.db2.gz NBMBMPWOKHEKNO-UHFFFAOYSA-N 1 2 242.298 0.452 20 0 BCADLO OCC[N@H+](Cc1ncnn1CCF)CC1CC1 ZINC000352458628 183072399 /nfs/dbraw/zinc/07/23/99/183072399.db2.gz NBMBMPWOKHEKNO-UHFFFAOYSA-N 1 2 242.298 0.452 20 0 BCADLO OCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126701966 183075627 /nfs/dbraw/zinc/07/56/27/183075627.db2.gz MZCWVDPMRUEGRH-GFCCVEGCSA-N 1 2 223.272 0.758 20 0 BCADLO OCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126701966 183075628 /nfs/dbraw/zinc/07/56/28/183075628.db2.gz MZCWVDPMRUEGRH-GFCCVEGCSA-N 1 2 223.272 0.758 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1c[nH]cn1 ZINC000355085218 183095955 /nfs/dbraw/zinc/09/59/55/183095955.db2.gz XMHPICMDLDXAQR-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1c[nH]cn1 ZINC000355085218 183095957 /nfs/dbraw/zinc/09/59/57/183095957.db2.gz XMHPICMDLDXAQR-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cnc[nH]1 ZINC000355085218 183095959 /nfs/dbraw/zinc/09/59/59/183095959.db2.gz XMHPICMDLDXAQR-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1cnc[nH]1 ZINC000355085218 183095960 /nfs/dbraw/zinc/09/59/60/183095960.db2.gz XMHPICMDLDXAQR-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OCCOCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000361128852 183083650 /nfs/dbraw/zinc/08/36/50/183083650.db2.gz SZFKODOZQCCKRP-NSHDSACASA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000361128852 183083652 /nfs/dbraw/zinc/08/36/52/183083652.db2.gz SZFKODOZQCCKRP-NSHDSACASA-N 1 2 241.287 0.662 20 0 BCADLO O=C1N=NC(C[N@H+]2CCCC[C@@H](CO)C2)S1 ZINC000375361219 183116785 /nfs/dbraw/zinc/11/67/85/183116785.db2.gz LCLKAISFLHJQLM-MRVPVSSYSA-N 1 2 243.332 0.838 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCCC[C@@H](CO)C2)S1 ZINC000375361219 183116786 /nfs/dbraw/zinc/11/67/86/183116786.db2.gz LCLKAISFLHJQLM-MRVPVSSYSA-N 1 2 243.332 0.838 20 0 BCADLO OC[C@@]1(F)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000286743828 183135053 /nfs/dbraw/zinc/13/50/53/183135053.db2.gz DUAKYXNIRQPILC-SNVBAGLBSA-N 1 2 213.256 0.706 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2cc[nH]n2)CCC1(F)F ZINC000361062041 183126158 /nfs/dbraw/zinc/12/61/58/183126158.db2.gz SBZVVQOPZRFDCU-QMMMGPOBSA-N 1 2 231.246 0.859 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2cc[nH]n2)CCC1(F)F ZINC000361062041 183126161 /nfs/dbraw/zinc/12/61/61/183126161.db2.gz SBZVVQOPZRFDCU-QMMMGPOBSA-N 1 2 231.246 0.859 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000086831518 183127532 /nfs/dbraw/zinc/12/75/32/183127532.db2.gz GGGZPSOHCXNRRI-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000086831518 183127533 /nfs/dbraw/zinc/12/75/33/183127533.db2.gz GGGZPSOHCXNRRI-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000186484127 183128996 /nfs/dbraw/zinc/12/89/96/183128996.db2.gz GUCCMPZGTYPWCS-BQBZGAKWSA-N 1 2 248.735 0.724 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000186484127 183128997 /nfs/dbraw/zinc/12/89/97/183128997.db2.gz GUCCMPZGTYPWCS-BQBZGAKWSA-N 1 2 248.735 0.724 20 0 BCADLO OC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000306308378 183150880 /nfs/dbraw/zinc/15/08/80/183150880.db2.gz HOHDSOJURHTJJO-QMMMGPOBSA-N 1 2 213.306 0.742 20 0 BCADLO OC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000306308378 183150881 /nfs/dbraw/zinc/15/08/81/183150881.db2.gz HOHDSOJURHTJJO-QMMMGPOBSA-N 1 2 213.306 0.742 20 0 BCADLO CCCN(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000282949125 169058973 /nfs/dbraw/zinc/05/89/73/169058973.db2.gz DVMIYKNIOUPEEF-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336571011 183198541 /nfs/dbraw/zinc/19/85/41/183198541.db2.gz NSGWYCLWEWTRKB-SSDOTTSWSA-N 1 2 235.209 0.995 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336571011 183198544 /nfs/dbraw/zinc/19/85/44/183198544.db2.gz NSGWYCLWEWTRKB-SSDOTTSWSA-N 1 2 235.209 0.995 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489925 183202949 /nfs/dbraw/zinc/20/29/49/183202949.db2.gz MWKFKMOXZUNMEG-FXPVBKGRSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489925 183202954 /nfs/dbraw/zinc/20/29/54/183202954.db2.gz MWKFKMOXZUNMEG-FXPVBKGRSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csnn3)C[C@@H]12 ZINC000308807803 183203841 /nfs/dbraw/zinc/20/38/41/183203841.db2.gz MVABAXXZMJLFNK-SZEHBUNVSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3csnn3)C[C@@H]12 ZINC000308807803 183203843 /nfs/dbraw/zinc/20/38/43/183203843.db2.gz MVABAXXZMJLFNK-SZEHBUNVSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccc(F)cc2F)C[C@H]1O ZINC000236529975 183205651 /nfs/dbraw/zinc/20/56/51/183205651.db2.gz UQWFNACBUJJILP-GHMZBOCLSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[NH+](Cc2cc(F)c(F)c(F)c2)C[C@H]1O ZINC000278439690 183206139 /nfs/dbraw/zinc/20/61/39/183206139.db2.gz VSTLEGCUXFMEPU-NXEZZACHSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000236529407 183206610 /nfs/dbraw/zinc/20/66/10/183206610.db2.gz PYIVXRCMPIAQJS-GHMZBOCLSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCn2cnnc2C1 ZINC000226248701 183190997 /nfs/dbraw/zinc/19/09/97/183190997.db2.gz YAKJUCZSQFUBGW-NXEZZACHSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCn2cnnc2C1 ZINC000226248701 183190999 /nfs/dbraw/zinc/19/09/99/183190999.db2.gz YAKJUCZSQFUBGW-NXEZZACHSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000306182238 183192882 /nfs/dbraw/zinc/19/28/82/183192882.db2.gz WYSOZTUADCNVDP-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000306182238 183192885 /nfs/dbraw/zinc/19/28/85/183192885.db2.gz WYSOZTUADCNVDP-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1ccno1 ZINC000264598761 169093099 /nfs/dbraw/zinc/09/30/99/169093099.db2.gz CRDCXWOBORGRHS-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccno1 ZINC000264598761 169093100 /nfs/dbraw/zinc/09/31/00/169093100.db2.gz CRDCXWOBORGRHS-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1cncn1C ZINC000177018917 169093381 /nfs/dbraw/zinc/09/33/81/169093381.db2.gz BALPJEWVHDHFNL-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cncn1C ZINC000177018917 169093383 /nfs/dbraw/zinc/09/33/83/169093383.db2.gz BALPJEWVHDHFNL-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnc(N)s1 ZINC000086766034 169094820 /nfs/dbraw/zinc/09/48/20/169094820.db2.gz IDSCUNJRRIKPCN-UHFFFAOYSA-N 1 2 242.348 0.683 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(N)s1 ZINC000086766034 169094823 /nfs/dbraw/zinc/09/48/23/169094823.db2.gz IDSCUNJRRIKPCN-UHFFFAOYSA-N 1 2 242.348 0.683 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000291425918 183239474 /nfs/dbraw/zinc/23/94/74/183239474.db2.gz IRAIIAYKNNXGKL-QMMMGPOBSA-N 1 2 214.215 0.926 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000291425918 183239476 /nfs/dbraw/zinc/23/94/76/183239476.db2.gz IRAIIAYKNNXGKL-QMMMGPOBSA-N 1 2 214.215 0.926 20 0 BCADLO O[C@H]1C[NH+](Cc2ccc(Cl)nc2)C[C@@H]1O ZINC000236592883 183243134 /nfs/dbraw/zinc/24/31/34/183243134.db2.gz KIBNQWGNSYQENS-IUCAKERBSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@]1(C[NH2+]Cc2ccn[nH]2)CCSC1 ZINC000165136595 183252080 /nfs/dbraw/zinc/25/20/80/183252080.db2.gz SMUJRILXBZELMO-VIFPVBQESA-N 1 2 213.306 0.367 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000043999591 183235097 /nfs/dbraw/zinc/23/50/97/183235097.db2.gz SDSYBCMVBKCZKW-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000043999591 183235099 /nfs/dbraw/zinc/23/50/99/183235099.db2.gz SDSYBCMVBKCZKW-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO Oc1cc(F)cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278410752 183258675 /nfs/dbraw/zinc/25/86/75/183258675.db2.gz PZRZEJMOJOFKQC-QWRGUYRKSA-N 1 2 227.235 0.069 20 0 BCADLO Oc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338965377 183289660 /nfs/dbraw/zinc/28/96/60/183289660.db2.gz YKWFLBNAXSICPW-BETUJISGSA-N 1 2 235.283 0.992 20 0 BCADLO Oc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338965377 183289662 /nfs/dbraw/zinc/28/96/62/183289662.db2.gz YKWFLBNAXSICPW-BETUJISGSA-N 1 2 235.283 0.992 20 0 BCADLO CCCN(CCO)C(=O)NCc1[nH+]ccn1C ZINC000264256390 169160949 /nfs/dbraw/zinc/16/09/49/169160949.db2.gz ZQMPIQVXKXUVOS-UHFFFAOYSA-N 1 2 240.307 0.334 20 0 BCADLO CCC[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000047496505 169167565 /nfs/dbraw/zinc/16/75/65/169167565.db2.gz WHMGBVFPBWNFBR-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000047496505 169167567 /nfs/dbraw/zinc/16/75/67/169167567.db2.gz WHMGBVFPBWNFBR-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO c1c[nH+]c(CN2CCN(Cc3ccon3)CC2)[nH]1 ZINC000077313474 183324961 /nfs/dbraw/zinc/32/49/61/183324961.db2.gz ULLZJRYCXGWEBC-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC000374881914 183327814 /nfs/dbraw/zinc/32/78/14/183327814.db2.gz WWOKTVRVBLDPMQ-JTQLQIEISA-N 1 2 232.291 0.838 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCn2cncn2)n1 ZINC000374881914 183327816 /nfs/dbraw/zinc/32/78/16/183327816.db2.gz WWOKTVRVBLDPMQ-JTQLQIEISA-N 1 2 232.291 0.838 20 0 BCADLO CCC[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000037760396 169201415 /nfs/dbraw/zinc/20/14/15/169201415.db2.gz SKNJFWPJHTUBCI-UHFFFAOYSA-N 1 2 249.314 0.955 20 0 BCADLO O=C1N=NC2C[N@H+](CC[C@H]3CCOC3)CCN12 ZINC000328610778 183310070 /nfs/dbraw/zinc/31/00/70/183310070.db2.gz NZLOMMBQHKSABZ-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@@H+](CC[C@H]3CCOC3)CCN12 ZINC000328610778 183310072 /nfs/dbraw/zinc/31/00/72/183310072.db2.gz NZLOMMBQHKSABZ-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC[C@H]1CCOC1)C2 ZINC000328610778 183310074 /nfs/dbraw/zinc/31/00/74/183310074.db2.gz NZLOMMBQHKSABZ-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC[C@H]1CCOC1)C2 ZINC000328610778 183310077 /nfs/dbraw/zinc/31/00/77/183310077.db2.gz NZLOMMBQHKSABZ-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251844941 169223210 /nfs/dbraw/zinc/22/32/10/169223210.db2.gz NAWIOHDPAORFIM-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251844941 169223213 /nfs/dbraw/zinc/22/32/13/169223213.db2.gz NAWIOHDPAORFIM-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282091283 169228021 /nfs/dbraw/zinc/22/80/21/169228021.db2.gz IEVFQVDQBTZJNC-JTQLQIEISA-N 1 2 238.335 0.905 20 0 BCADLO CCCNC(=O)CNc1cc[nH+]c(C)n1 ZINC000054935877 169230464 /nfs/dbraw/zinc/23/04/64/169230464.db2.gz DIHMPNUBFXPRAH-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)n[nH]1 ZINC000187548342 183346858 /nfs/dbraw/zinc/34/68/58/183346858.db2.gz ULBYBYMLXDTCNA-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)n[nH]1 ZINC000187548342 183346861 /nfs/dbraw/zinc/34/68/61/183346861.db2.gz ULBYBYMLXDTCNA-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378376467 169213503 /nfs/dbraw/zinc/21/35/03/169213503.db2.gz KZPASLPWGGYWRH-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCCNC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756046 169219162 /nfs/dbraw/zinc/21/91/62/169219162.db2.gz ASBKXMXMHWJMFQ-SSDOTTSWSA-N 1 2 242.241 0.368 20 0 BCADLO CCCNC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756046 169219164 /nfs/dbraw/zinc/21/91/64/169219164.db2.gz ASBKXMXMHWJMFQ-SSDOTTSWSA-N 1 2 242.241 0.368 20 0 BCADLO CCCNC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000374667263 169222511 /nfs/dbraw/zinc/22/25/11/169222511.db2.gz ZVIWHCOKLZIRGK-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO CCCNC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330774965 169240647 /nfs/dbraw/zinc/24/06/47/169240647.db2.gz GZYQNKUFDIFUSF-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCCOCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362081 169307043 /nfs/dbraw/zinc/30/70/43/169307043.db2.gz URPPAVFRVCIVKN-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO CCCOCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362081 169307045 /nfs/dbraw/zinc/30/70/45/169307045.db2.gz URPPAVFRVCIVKN-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000375002464 169329378 /nfs/dbraw/zinc/32/93/78/169329378.db2.gz GOCZAAHFIVOFMC-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000375002464 169329379 /nfs/dbraw/zinc/32/93/79/169329379.db2.gz GOCZAAHFIVOFMC-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000336215209 169331055 /nfs/dbraw/zinc/33/10/55/169331055.db2.gz HPOPCZAZXANZFD-UHFFFAOYSA-N 1 2 246.376 0.896 20 0 BCADLO CCCS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373311734 169331639 /nfs/dbraw/zinc/33/16/39/169331639.db2.gz UDLHMVZSKVLIMB-UHFFFAOYSA-N 1 2 243.332 0.747 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227112 169347209 /nfs/dbraw/zinc/34/72/09/169347209.db2.gz YCXWDVYTNFCCPF-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227112 169347211 /nfs/dbraw/zinc/34/72/11/169347211.db2.gz YCXWDVYTNFCCPF-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000358973598 169398158 /nfs/dbraw/zinc/39/81/58/169398158.db2.gz GDSGFHRQXRCGIL-MRVPVSSYSA-N 1 2 239.275 0.790 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000180637199 134330682 /nfs/dbraw/zinc/33/06/82/134330682.db2.gz MQTQFVNFMAQPDU-MRVPVSSYSA-N 1 2 203.282 0.546 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000269321315 169455054 /nfs/dbraw/zinc/45/50/54/169455054.db2.gz SEMUERVUGZGXNV-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CCCc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000233377170 169590137 /nfs/dbraw/zinc/59/01/37/169590137.db2.gz LRWSSQKWKOIRGU-UWVGGRQHSA-N 1 2 242.344 0.633 20 0 BCADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](COC)C(=O)OC ZINC000309167517 171061085 /nfs/dbraw/zinc/06/10/85/171061085.db2.gz JTKDNSXCVMFAME-BBBLOLIVSA-N 1 2 215.293 0.953 20 0 BCADLO CCCn1cc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000180557984 169616016 /nfs/dbraw/zinc/61/60/16/169616016.db2.gz SGTLBOXJIVTTSF-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO COC[C@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493097163 532980245 /nfs/dbraw/zinc/98/02/45/532980245.db2.gz XHVRABORAMEIKX-MOVJSRMASA-N 1 2 223.276 0.916 20 0 BCADLO COC1(C[NH+]2CC3(C2)CNC(=O)O3)CCCC1 ZINC000496457998 532990549 /nfs/dbraw/zinc/99/05/49/532990549.db2.gz UURXECBWBJTINA-UHFFFAOYSA-N 1 2 240.303 0.740 20 0 BCADLO CC(C)C[C@H](CO)[N@H+](C)Cc1ncnn1C ZINC000185341382 134376706 /nfs/dbraw/zinc/37/67/06/134376706.db2.gz JSLLEGMCMWTQDO-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1ncnn1C ZINC000185341382 134376707 /nfs/dbraw/zinc/37/67/07/134376707.db2.gz JSLLEGMCMWTQDO-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)on1 ZINC000227396725 134379508 /nfs/dbraw/zinc/37/95/08/134379508.db2.gz IKASFEDNRHITQV-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)on1 ZINC000227396725 134379509 /nfs/dbraw/zinc/37/95/09/134379509.db2.gz IKASFEDNRHITQV-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO CCN(CCOC)C(=O)NCc1c[nH+]cn1C ZINC000292291892 383821637 /nfs/dbraw/zinc/82/16/37/383821637.db2.gz KMSBBMWRGWOPPE-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1noc(C)n1 ZINC000048336125 383848570 /nfs/dbraw/zinc/84/85/70/383848570.db2.gz CCQIOWPJNZQQLH-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1noc(C)n1 ZINC000048336125 383848573 /nfs/dbraw/zinc/84/85/73/383848573.db2.gz CCQIOWPJNZQQLH-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000066498554 383867071 /nfs/dbraw/zinc/86/70/71/383867071.db2.gz IDEGSFSONJXXMH-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000066498554 383867075 /nfs/dbraw/zinc/86/70/75/383867075.db2.gz IDEGSFSONJXXMH-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000088058001 383876815 /nfs/dbraw/zinc/87/68/15/383876815.db2.gz AOGDUVWJVHQFPP-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000088058001 383876824 /nfs/dbraw/zinc/87/68/24/383876824.db2.gz AOGDUVWJVHQFPP-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO C[N@H+](CC(=O)Nc1nncs1)[C@H]1CCOC1 ZINC000112347631 383919035 /nfs/dbraw/zinc/91/90/35/383919035.db2.gz PIMVQUIROACCPX-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO C[N@@H+](CC(=O)Nc1nncs1)[C@H]1CCOC1 ZINC000112347631 383919038 /nfs/dbraw/zinc/91/90/38/383919038.db2.gz PIMVQUIROACCPX-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000348170337 383931391 /nfs/dbraw/zinc/93/13/91/383931391.db2.gz UCOYPRKZIDQWNH-BDAKNGLRSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H](C)CO ZINC000493067124 533020138 /nfs/dbraw/zinc/02/01/38/533020138.db2.gz AECPJANKAOVABW-HUGTUPKYSA-N 1 2 223.276 0.556 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)F ZINC000112021408 383891387 /nfs/dbraw/zinc/89/13/87/383891387.db2.gz NATZABUGWCDHCX-LURJTMIESA-N 1 2 221.182 0.950 20 0 BCADLO C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000531113085 383897145 /nfs/dbraw/zinc/89/71/45/383897145.db2.gz SAWOBPLQEKTHQZ-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000531113085 383897149 /nfs/dbraw/zinc/89/71/49/383897149.db2.gz SAWOBPLQEKTHQZ-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](CNC(=O)c1cc[nH]c1)[NH+]1CCOCC1 ZINC000068265192 383980445 /nfs/dbraw/zinc/98/04/45/383980445.db2.gz KTQZPBGYENOIGP-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H](CNC(=O)c1cc[nH]c1)[NH+]1CCOCC1 ZINC000068265195 383982402 /nfs/dbraw/zinc/98/24/02/383982402.db2.gz KTQZPBGYENOIGP-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1cc[nH]c1 ZINC000068349645 383986175 /nfs/dbraw/zinc/98/61/75/383986175.db2.gz QADCICDQRVUNLL-UHFFFAOYSA-N 1 2 237.303 0.419 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1cccnn1 ZINC000052831177 383995568 /nfs/dbraw/zinc/99/55/68/383995568.db2.gz JDTSITLQAGKCQF-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[C@@H]1O ZINC000089166964 383939428 /nfs/dbraw/zinc/93/94/28/383939428.db2.gz GTOPQZAVDZZBNV-SCZZXKLOSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278518627 384012165 /nfs/dbraw/zinc/01/21/65/384012165.db2.gz RKXCQBFYQYUPGH-LLVKDONJSA-N 1 2 225.292 0.349 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](O)CC1 ZINC000293891030 384015764 /nfs/dbraw/zinc/01/57/64/384015764.db2.gz BXCCVOQNMIMBJA-VIFPVBQESA-N 1 2 247.302 0.715 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC2(C1)CN(C)C(=O)O2 ZINC000497141695 384029837 /nfs/dbraw/zinc/02/98/37/384029837.db2.gz FBBWXTNRNCOFNW-UHFFFAOYSA-N 1 2 248.286 0.734 20 0 BCADLO CN(CC[N@H+](C)CC(N)=O)C(=O)OC(C)(C)C ZINC000091766890 384038278 /nfs/dbraw/zinc/03/82/78/384038278.db2.gz MEUVWTISFWWDIZ-UHFFFAOYSA-N 1 2 245.323 0.270 20 0 BCADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)OC(C)(C)C ZINC000091766890 384038287 /nfs/dbraw/zinc/03/82/87/384038287.db2.gz MEUVWTISFWWDIZ-UHFFFAOYSA-N 1 2 245.323 0.270 20 0 BCADLO CSC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000530456281 384066594 /nfs/dbraw/zinc/06/65/94/384066594.db2.gz YRULQYVLNTZBJA-UHFFFAOYSA-N 1 2 239.344 0.974 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000078605156 384075783 /nfs/dbraw/zinc/07/57/83/384075783.db2.gz KDCMSOQKPINWPZ-VXGBXAGGSA-N 1 2 241.379 0.927 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000332644602 384097184 /nfs/dbraw/zinc/09/71/84/384097184.db2.gz LARZKKZIJKUCQJ-ZJUUUORDSA-N 1 2 238.335 0.894 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000332644602 384097190 /nfs/dbraw/zinc/09/71/90/384097190.db2.gz LARZKKZIJKUCQJ-ZJUUUORDSA-N 1 2 238.335 0.894 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000408087666 134390446 /nfs/dbraw/zinc/39/04/46/134390446.db2.gz FMNBBENHXSFKLC-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000050048897 384100832 /nfs/dbraw/zinc/10/08/32/384100832.db2.gz SBSTZSBDDQORDP-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000050048897 384100836 /nfs/dbraw/zinc/10/08/36/384100836.db2.gz SBSTZSBDDQORDP-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO CCN(CC(=O)OC)Cc1[nH+]ccn1C ZINC000050066318 384105337 /nfs/dbraw/zinc/10/53/37/384105337.db2.gz KSLGSOYDWVTWBH-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCc1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000332662809 384107499 /nfs/dbraw/zinc/10/74/99/384107499.db2.gz OZBKKXULVPRRCS-IUCAKERBSA-N 1 2 228.317 0.243 20 0 BCADLO C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C ZINC000188669845 384111310 /nfs/dbraw/zinc/11/13/10/384111310.db2.gz DMCCPVKSUUHYJX-BDAKNGLRSA-N 1 2 248.330 0.926 20 0 BCADLO CC[N@H+](CC(=O)NC(C)C)Cc1cnn(C)c1 ZINC000070979001 384146237 /nfs/dbraw/zinc/14/62/37/384146237.db2.gz DVSWTIZKYRPLCO-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)C)Cc1cnn(C)c1 ZINC000070979001 384146239 /nfs/dbraw/zinc/14/62/39/384146239.db2.gz DVSWTIZKYRPLCO-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCC(C)(C)O ZINC000292513644 384175967 /nfs/dbraw/zinc/17/59/67/384175967.db2.gz OPXZQPDAOQDDLX-UHFFFAOYSA-N 1 2 240.307 0.380 20 0 BCADLO C[C@@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000080115996 384160970 /nfs/dbraw/zinc/16/09/70/384160970.db2.gz LUHRFQFJZJBUAC-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185906121 134396292 /nfs/dbraw/zinc/39/62/92/134396292.db2.gz ZQQWKVMJHKXYDW-LBPRGKRZSA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185906121 134396294 /nfs/dbraw/zinc/39/62/94/134396294.db2.gz ZQQWKVMJHKXYDW-LBPRGKRZSA-N 1 2 241.335 0.241 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000075023913 384181841 /nfs/dbraw/zinc/18/18/41/384181841.db2.gz UKFSZJGUBGXLLW-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000075023913 384181844 /nfs/dbraw/zinc/18/18/44/384181844.db2.gz UKFSZJGUBGXLLW-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO OC1CN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000117865734 384183340 /nfs/dbraw/zinc/18/33/40/384183340.db2.gz JJPUEHXQAXPTQM-UHFFFAOYSA-N 1 2 234.303 0.648 20 0 BCADLO OC1CN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000117865734 384183345 /nfs/dbraw/zinc/18/33/45/384183345.db2.gz JJPUEHXQAXPTQM-UHFFFAOYSA-N 1 2 234.303 0.648 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647160414 384196565 /nfs/dbraw/zinc/19/65/65/384196565.db2.gz QAIMATYBYLXHGD-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cn[nH]n1 ZINC000082557156 384238021 /nfs/dbraw/zinc/23/80/21/384238021.db2.gz PWLGAVXGKOAVTF-UHFFFAOYSA-N 1 2 203.205 0.760 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C2(C)C)n1 ZINC000093084361 384210731 /nfs/dbraw/zinc/21/07/31/384210731.db2.gz FLZCYNWULSTLCH-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C2(C)C)n1 ZINC000093084361 384210735 /nfs/dbraw/zinc/21/07/35/384210735.db2.gz FLZCYNWULSTLCH-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO Cc1ccc(O)c(C[N@@H+](C)CC(=O)N(C)C)n1 ZINC000132121103 384216172 /nfs/dbraw/zinc/21/61/72/384216172.db2.gz DAMSCMQBYVYJCG-UHFFFAOYSA-N 1 2 237.303 0.616 20 0 BCADLO Cc1ccc(O)c(C[N@H+](C)CC(=O)N(C)C)n1 ZINC000132121103 384216176 /nfs/dbraw/zinc/21/61/76/384216176.db2.gz DAMSCMQBYVYJCG-UHFFFAOYSA-N 1 2 237.303 0.616 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000234846585 384221913 /nfs/dbraw/zinc/22/19/13/384221913.db2.gz QGTVTRXNBOPDLT-HTQZYQBOSA-N 1 2 225.296 0.113 20 0 BCADLO CCCCN(CCO)c1[nH+]cnc2c1cnn2C ZINC000042493240 384225554 /nfs/dbraw/zinc/22/55/54/384225554.db2.gz WQSJNIKESOWEOZ-UHFFFAOYSA-N 1 2 249.318 0.962 20 0 BCADLO CNC(=O)C[C@@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000643815511 384229646 /nfs/dbraw/zinc/22/96/46/384229646.db2.gz MXIHTEAPFNEEBV-JTQLQIEISA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)C[C@@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000643815511 384229651 /nfs/dbraw/zinc/22/96/51/384229651.db2.gz MXIHTEAPFNEEBV-JTQLQIEISA-N 1 2 236.262 0.215 20 0 BCADLO Clc1cnc(NCC[NH+]2CCOCC2)nc1 ZINC000093536348 384247880 /nfs/dbraw/zinc/24/78/80/384247880.db2.gz VCBNXNOYTBWVSJ-UHFFFAOYSA-N 1 2 242.710 0.874 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000093529548 384248629 /nfs/dbraw/zinc/24/86/29/384248629.db2.gz DSDSVJXZWQCVPE-LBPRGKRZSA-N 1 2 224.304 0.872 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000093529548 384248634 /nfs/dbraw/zinc/24/86/34/384248634.db2.gz DSDSVJXZWQCVPE-LBPRGKRZSA-N 1 2 224.304 0.872 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCc1c[nH+]cn1C ZINC000292716176 384277261 /nfs/dbraw/zinc/27/72/61/384277261.db2.gz ONTXEOLJMWWLPI-SECBINFHSA-N 1 2 211.265 0.053 20 0 BCADLO Cc1ccc(N2CC[N@@H+]3CCC2C3)nn1 ZINC000394736030 384256760 /nfs/dbraw/zinc/25/67/60/384256760.db2.gz JNINZQGDXGAKKQ-JTQLQIEISA-N 1 2 204.277 0.679 20 0 BCADLO Cc1ccc(N2CC[N@H+]3CCC2C3)nn1 ZINC000394736030 384256764 /nfs/dbraw/zinc/25/67/64/384256764.db2.gz JNINZQGDXGAKKQ-JTQLQIEISA-N 1 2 204.277 0.679 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000158671455 384257667 /nfs/dbraw/zinc/25/76/67/384257667.db2.gz OPFPCUSFTPCKBZ-VIFPVBQESA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000158671455 384257670 /nfs/dbraw/zinc/25/76/70/384257670.db2.gz OPFPCUSFTPCKBZ-VIFPVBQESA-N 1 2 201.266 0.047 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000133687604 384261233 /nfs/dbraw/zinc/26/12/33/384261233.db2.gz FJUSPFWJCQQCGN-SSDOTTSWSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000133687604 384261239 /nfs/dbraw/zinc/26/12/39/384261239.db2.gz FJUSPFWJCQQCGN-SSDOTTSWSA-N 1 2 211.265 0.760 20 0 BCADLO COCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428011221 384304183 /nfs/dbraw/zinc/30/41/83/384304183.db2.gz OUNMLFGFBXVTHY-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000560698266 384305152 /nfs/dbraw/zinc/30/51/52/384305152.db2.gz HSLCNOFDYUSILO-ZCFIWIBFSA-N 1 2 219.248 0.932 20 0 BCADLO CCS(=O)(=O)CCN(C)CCn1cc[nH+]c1 ZINC000133730928 384311225 /nfs/dbraw/zinc/31/12/25/384311225.db2.gz NNDWEHMHUGFCMA-UHFFFAOYSA-N 1 2 245.348 0.250 20 0 BCADLO CCC[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000304404650 384280374 /nfs/dbraw/zinc/28/03/74/384280374.db2.gz BHTPMAYADVKNTG-SNVBAGLBSA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000304404650 384280379 /nfs/dbraw/zinc/28/03/79/384280379.db2.gz BHTPMAYADVKNTG-SNVBAGLBSA-N 1 2 225.296 0.725 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000352348624 384293875 /nfs/dbraw/zinc/29/38/75/384293875.db2.gz BVPQZAYGKIFFFK-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000352348624 384293881 /nfs/dbraw/zinc/29/38/81/384293881.db2.gz BVPQZAYGKIFFFK-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000233382600 384340544 /nfs/dbraw/zinc/34/05/44/384340544.db2.gz DGDMVDMFVNNFJE-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000233382600 384340549 /nfs/dbraw/zinc/34/05/49/384340549.db2.gz DGDMVDMFVNNFJE-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332735351 384348236 /nfs/dbraw/zinc/34/82/36/384348236.db2.gz VUFBHWJWCBSQJL-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332735351 384348239 /nfs/dbraw/zinc/34/82/39/384348239.db2.gz VUFBHWJWCBSQJL-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081478 384361743 /nfs/dbraw/zinc/36/17/43/384361743.db2.gz SMIFHAYJTZGINJ-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081478 384361746 /nfs/dbraw/zinc/36/17/46/384361746.db2.gz SMIFHAYJTZGINJ-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300364247 384363585 /nfs/dbraw/zinc/36/35/85/384363585.db2.gz GHEMZGYJWWJPEK-SFGNSQDASA-N 1 2 213.277 0.705 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccncc1 ZINC000084081758 384364242 /nfs/dbraw/zinc/36/42/42/384364242.db2.gz QKTFJWCQZPBYTR-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccncc1 ZINC000084081758 384364247 /nfs/dbraw/zinc/36/42/47/384364247.db2.gz QKTFJWCQZPBYTR-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO Cc1csc(C[N@@H+](C)[C@H]2COC[C@@H]2O)n1 ZINC000352799162 384324760 /nfs/dbraw/zinc/32/47/60/384324760.db2.gz FJGDSJXYGYNDTE-IUCAKERBSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1csc(C[N@H+](C)[C@H]2COC[C@@H]2O)n1 ZINC000352799162 384324764 /nfs/dbraw/zinc/32/47/64/384324764.db2.gz FJGDSJXYGYNDTE-IUCAKERBSA-N 1 2 228.317 0.643 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)CO ZINC000160250498 384395347 /nfs/dbraw/zinc/39/53/47/384395347.db2.gz CHAFOTVCTLEVOH-NXEZZACHSA-N 1 2 225.292 0.406 20 0 BCADLO CCc1cc(N2CC(C)(O)C2)nc(C)[nH+]1 ZINC000084355763 384395389 /nfs/dbraw/zinc/39/53/89/384395389.db2.gz AJBDEUBRGOESFS-UHFFFAOYSA-N 1 2 207.277 0.918 20 0 BCADLO COC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000095829620 384400235 /nfs/dbraw/zinc/40/02/35/384400235.db2.gz LKZVFJZNBAEKRC-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000095829620 384400241 /nfs/dbraw/zinc/40/02/41/384400241.db2.gz LKZVFJZNBAEKRC-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO C[C@H](CO)N(C)c1nc[nH+]c(N)c1Cl ZINC000235477954 384415388 /nfs/dbraw/zinc/41/53/88/384415388.db2.gz POBGSYWCBGUVRV-RXMQYKEDSA-N 1 2 216.672 0.529 20 0 BCADLO C[C@H](CO)N(C)c1[nH+]cnc(N)c1Cl ZINC000235477954 384415392 /nfs/dbraw/zinc/41/53/92/384415392.db2.gz POBGSYWCBGUVRV-RXMQYKEDSA-N 1 2 216.672 0.529 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000121446057 384416716 /nfs/dbraw/zinc/41/67/16/384416716.db2.gz WSODHJFZZYBKEB-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000121446057 384416722 /nfs/dbraw/zinc/41/67/22/384416722.db2.gz WSODHJFZZYBKEB-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO CO[C@@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000304566830 384419261 /nfs/dbraw/zinc/41/92/61/384419261.db2.gz ZKZZDFWZZFWYCL-HTQZYQBOSA-N 1 2 223.280 0.742 20 0 BCADLO CO[C@@H]1CCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000304566830 384419267 /nfs/dbraw/zinc/41/92/67/384419267.db2.gz ZKZZDFWZZFWYCL-HTQZYQBOSA-N 1 2 223.280 0.742 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ncc[nH]1 ZINC000330364418 384376194 /nfs/dbraw/zinc/37/61/94/384376194.db2.gz NBFKLLXNIWYINL-MRVPVSSYSA-N 1 2 224.308 0.975 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000443481935 384425431 /nfs/dbraw/zinc/42/54/31/384425431.db2.gz GSCMDONWYSVZLE-NXEZZACHSA-N 1 2 240.307 0.606 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331619453 384389733 /nfs/dbraw/zinc/38/97/33/384389733.db2.gz JRXVVZCWXYZYFC-SECBINFHSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331619453 384389737 /nfs/dbraw/zinc/38/97/37/384389737.db2.gz JRXVVZCWXYZYFC-SECBINFHSA-N 1 2 210.281 0.460 20 0 BCADLO c1cn(CCSc2nnnn2C2CC2)c[nH+]1 ZINC000121885019 384444394 /nfs/dbraw/zinc/44/43/94/384444394.db2.gz PZGFBTNAABQJGP-UHFFFAOYSA-N 1 2 236.304 0.997 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000082687128 384441580 /nfs/dbraw/zinc/44/15/80/384441580.db2.gz ILAYZHIWSGFPQU-JTQLQIEISA-N 1 2 243.351 0.757 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000082687128 384441584 /nfs/dbraw/zinc/44/15/84/384441584.db2.gz ILAYZHIWSGFPQU-JTQLQIEISA-N 1 2 243.351 0.757 20 0 BCADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000047628854 384460512 /nfs/dbraw/zinc/46/05/12/384460512.db2.gz IOHNXKIMHVKCTJ-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000047628854 384460516 /nfs/dbraw/zinc/46/05/16/384460516.db2.gz IOHNXKIMHVKCTJ-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)OCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000181177034 384465325 /nfs/dbraw/zinc/46/53/25/384465325.db2.gz YTLOFTHZVUQBLO-UHFFFAOYSA-N 1 2 248.242 0.159 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1CC(=O)C1 ZINC000136046562 384475092 /nfs/dbraw/zinc/47/50/92/384475092.db2.gz DAQVWCRVBWGCAB-UHFFFAOYSA-N 1 2 221.260 0.369 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCOCCOC ZINC000175683047 384476082 /nfs/dbraw/zinc/47/60/82/384476082.db2.gz PMGDKKLLALAKMM-UHFFFAOYSA-N 1 2 233.308 0.581 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCCO ZINC000551661900 384483003 /nfs/dbraw/zinc/48/30/03/384483003.db2.gz CDDSZKPYEYIXEQ-SNVBAGLBSA-N 1 2 247.360 0.739 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCCO ZINC000551661900 384483007 /nfs/dbraw/zinc/48/30/07/384483007.db2.gz CDDSZKPYEYIXEQ-SNVBAGLBSA-N 1 2 247.360 0.739 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccccn1 ZINC000122458854 384483413 /nfs/dbraw/zinc/48/34/13/384483413.db2.gz QUJZCHVGZSIUJJ-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccccn1 ZINC000122458854 384483417 /nfs/dbraw/zinc/48/34/17/384483417.db2.gz QUJZCHVGZSIUJJ-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047602358 384459314 /nfs/dbraw/zinc/45/93/14/384459314.db2.gz JDIYMUZMOIGRJE-UWVGGRQHSA-N 1 2 240.307 0.342 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000221474755 384504221 /nfs/dbraw/zinc/50/42/21/384504221.db2.gz WNMQLWRMGUZVBV-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000221474755 384504227 /nfs/dbraw/zinc/50/42/27/384504227.db2.gz WNMQLWRMGUZVBV-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1cc(C(=O)NCCCn2cc[nH+]c2)[nH]n1 ZINC000097288059 384506592 /nfs/dbraw/zinc/50/65/92/384506592.db2.gz KCQHSSMMUQMPTF-UHFFFAOYSA-N 1 2 247.302 0.989 20 0 BCADLO COC(=O)C(C)(C)NCc1c[nH+]cn1C ZINC000085168652 384508340 /nfs/dbraw/zinc/50/83/40/384508340.db2.gz QGXALPUKGAYGGS-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000135037049 384486958 /nfs/dbraw/zinc/48/69/58/384486958.db2.gz VPYMYYPDOYZMEC-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000135037049 384486961 /nfs/dbraw/zinc/48/69/61/384486961.db2.gz VPYMYYPDOYZMEC-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cnccn1 ZINC000175782247 384488029 /nfs/dbraw/zinc/48/80/29/384488029.db2.gz FQSYOSYSOSGIOV-SECBINFHSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cnccn1 ZINC000175782247 384488036 /nfs/dbraw/zinc/48/80/36/384488036.db2.gz FQSYOSYSOSGIOV-SECBINFHSA-N 1 2 222.292 0.385 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](CO)C1CC1 ZINC000359826039 384523086 /nfs/dbraw/zinc/52/30/86/384523086.db2.gz YMBDNRHTIOOASJ-JTQLQIEISA-N 1 2 237.303 0.477 20 0 BCADLO COC(=O)C[N@H+](CCn1cncn1)C(C)C ZINC000264088077 384524444 /nfs/dbraw/zinc/52/44/44/384524444.db2.gz NEPSZZGFCBHRLU-UHFFFAOYSA-N 1 2 226.280 0.162 20 0 BCADLO COC(=O)C[N@@H+](CCn1cncn1)C(C)C ZINC000264088077 384524449 /nfs/dbraw/zinc/52/44/49/384524449.db2.gz NEPSZZGFCBHRLU-UHFFFAOYSA-N 1 2 226.280 0.162 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000517850037 384528691 /nfs/dbraw/zinc/52/86/91/384528691.db2.gz PQVHNDBGDIQXIE-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000517850037 384528698 /nfs/dbraw/zinc/52/86/98/384528698.db2.gz PQVHNDBGDIQXIE-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1O ZINC000449572748 384562276 /nfs/dbraw/zinc/56/22/76/384562276.db2.gz OORZJFARBPJDMI-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1O ZINC000449572748 384562285 /nfs/dbraw/zinc/56/22/85/384562285.db2.gz OORZJFARBPJDMI-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(N2CCC[C@@H](CC(N)=O)C2)cc[nH+]1 ZINC000080682920 384575758 /nfs/dbraw/zinc/57/57/58/384575758.db2.gz LHRWYAGOQBFFDJ-JTQLQIEISA-N 1 2 234.303 0.877 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049933715 384580330 /nfs/dbraw/zinc/58/03/30/384580330.db2.gz CXTWBGWXZCBURX-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049933715 384580337 /nfs/dbraw/zinc/58/03/37/384580337.db2.gz CXTWBGWXZCBURX-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000164674500 384589893 /nfs/dbraw/zinc/58/98/93/384589893.db2.gz QNXFNEZCIUACEQ-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000164674500 384589903 /nfs/dbraw/zinc/58/99/03/384589903.db2.gz QNXFNEZCIUACEQ-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408036113 384564660 /nfs/dbraw/zinc/56/46/60/384564660.db2.gz QGJTWWJKDVAVJY-MNOVXSKESA-N 1 2 249.318 0.018 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408036113 384564665 /nfs/dbraw/zinc/56/46/65/384564665.db2.gz QGJTWWJKDVAVJY-MNOVXSKESA-N 1 2 249.318 0.018 20 0 BCADLO COC(=O)[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000124014961 384603833 /nfs/dbraw/zinc/60/38/33/384603833.db2.gz CETYKGUZNOKDAA-RKDXNWHRSA-N 1 2 239.275 0.172 20 0 BCADLO CC(C)(O)CC[N@@H+]1CCn2cnnc2C1 ZINC000086234350 384626196 /nfs/dbraw/zinc/62/61/96/384626196.db2.gz KLTSEOGZWXSTOQ-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CC(C)(O)CC[N@H+]1CCn2cnnc2C1 ZINC000086234350 384626199 /nfs/dbraw/zinc/62/61/99/384626199.db2.gz KLTSEOGZWXSTOQ-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000151604204 384628383 /nfs/dbraw/zinc/62/83/83/384628383.db2.gz OQWPXEIXHVPSIF-MRVPVSSYSA-N 1 2 247.258 0.776 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309436864 384630124 /nfs/dbraw/zinc/63/01/24/384630124.db2.gz HLDBGEQJVPXZAG-YUMQZZPRSA-N 1 2 228.292 0.195 20 0 BCADLO CC(C)(C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000123859779 384592399 /nfs/dbraw/zinc/59/23/99/384592399.db2.gz NQWSNHJHBLERBY-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO COc1n[nH]c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC000517961444 384592890 /nfs/dbraw/zinc/59/28/90/384592890.db2.gz VSFPVWUKQDVKQI-SSDOTTSWSA-N 1 2 239.279 0.094 20 0 BCADLO COc1n[nH]c(NC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC000517961444 384592899 /nfs/dbraw/zinc/59/28/99/384592899.db2.gz VSFPVWUKQDVKQI-SSDOTTSWSA-N 1 2 239.279 0.094 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000050117934 384593261 /nfs/dbraw/zinc/59/32/61/384593261.db2.gz NYPQVYMDVBRFPN-MRVPVSSYSA-N 1 2 249.261 0.717 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000050117934 384593268 /nfs/dbraw/zinc/59/32/68/384593268.db2.gz NYPQVYMDVBRFPN-MRVPVSSYSA-N 1 2 249.261 0.717 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000081001846 384599557 /nfs/dbraw/zinc/59/95/57/384599557.db2.gz VZWQPCMXPHLEDZ-ZETCQYMHSA-N 1 2 242.304 0.116 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000081001846 384599559 /nfs/dbraw/zinc/59/95/59/384599559.db2.gz VZWQPCMXPHLEDZ-ZETCQYMHSA-N 1 2 242.304 0.116 20 0 BCADLO CS(=O)(=O)CCC[NH+]1CCSCC1 ZINC000103226529 384600595 /nfs/dbraw/zinc/60/05/95/384600595.db2.gz KCJQJTRVNAZNEN-UHFFFAOYSA-N 1 2 223.363 0.470 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000151606907 384637770 /nfs/dbraw/zinc/63/77/70/384637770.db2.gz UPJQRDCMJORMCI-MRVPVSSYSA-N 1 2 249.270 0.555 20 0 BCADLO C[C@H](C(=O)Nc1nncn1C)[NH+]1CC(C)C1 ZINC000561316883 384649639 /nfs/dbraw/zinc/64/96/39/384649639.db2.gz GTVHZMLNTXPESH-MRVPVSSYSA-N 1 2 223.280 0.094 20 0 BCADLO Cc1nc(C(=O)N2CC[NH+](C)CC2)c[nH]1 ZINC000082268146 384656960 /nfs/dbraw/zinc/65/69/60/384656960.db2.gz STYRKTWGIUICPE-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000082268146 384656968 /nfs/dbraw/zinc/65/69/68/384656968.db2.gz STYRKTWGIUICPE-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO COC[C@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000432348871 384658312 /nfs/dbraw/zinc/65/83/12/384658312.db2.gz VBIYYZDDKMOOIG-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000308391586 384659217 /nfs/dbraw/zinc/65/92/17/384659217.db2.gz ZWBBGRVPKWZHGF-UHFFFAOYSA-N 1 2 202.641 0.850 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000308391586 384659230 /nfs/dbraw/zinc/65/92/30/384659230.db2.gz ZWBBGRVPKWZHGF-UHFFFAOYSA-N 1 2 202.641 0.850 20 0 BCADLO COc1nn(C)cc1NCc1c[nH+]cn1C ZINC000309877986 384685701 /nfs/dbraw/zinc/68/57/01/384685701.db2.gz UDMWZBVQMVIYMH-UHFFFAOYSA-N 1 2 221.264 0.774 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)[C@@H](C)O ZINC000309648560 384687460 /nfs/dbraw/zinc/68/74/60/384687460.db2.gz NEXOXVFNMSHOJG-ZYUZMQFOSA-N 1 2 229.320 0.933 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC[C@H]1CCOC1=O)CC2 ZINC000363685575 384692589 /nfs/dbraw/zinc/69/25/89/384692589.db2.gz BKYRUIFDEZWIKI-NSHDSACASA-N 1 2 249.314 0.960 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CCOC1 ZINC000158969156 384694327 /nfs/dbraw/zinc/69/43/27/384694327.db2.gz UZOOZNWMSVACFK-JTQLQIEISA-N 1 2 238.291 0.361 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000185262980 384698526 /nfs/dbraw/zinc/69/85/26/384698526.db2.gz VCMALUCGLWBBMI-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000185262980 384698531 /nfs/dbraw/zinc/69/85/31/384698531.db2.gz VCMALUCGLWBBMI-UHFFFAOYSA-N 1 2 228.296 0.338 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000082680209 384702085 /nfs/dbraw/zinc/70/20/85/384702085.db2.gz NPWJUSIRODNTQR-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000082680209 384702090 /nfs/dbraw/zinc/70/20/90/384702090.db2.gz NPWJUSIRODNTQR-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1O ZINC000051990805 384707829 /nfs/dbraw/zinc/70/78/29/384707829.db2.gz PHBWIYRRZURHGI-GHMZBOCLSA-N 1 2 237.303 0.693 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCOCC23CCC3)OC1=O ZINC000497147846 384780831 /nfs/dbraw/zinc/78/08/31/384780831.db2.gz NPMXLRRKUKQRSU-JTQLQIEISA-N 1 2 240.303 0.692 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCOCC23CCC3)OC1=O ZINC000497147846 384780841 /nfs/dbraw/zinc/78/08/41/384780841.db2.gz NPMXLRRKUKQRSU-JTQLQIEISA-N 1 2 240.303 0.692 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccnc1N ZINC000052720240 384741430 /nfs/dbraw/zinc/74/14/30/384741430.db2.gz DSPMQMONELLWSX-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccnc1N ZINC000052720240 384741434 /nfs/dbraw/zinc/74/14/34/384741434.db2.gz DSPMQMONELLWSX-UHFFFAOYSA-N 1 2 222.292 0.184 20 0 BCADLO COC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000117866853 384741639 /nfs/dbraw/zinc/74/16/39/384741639.db2.gz PEQZGVXQFBTCMF-SECBINFHSA-N 1 2 223.276 0.773 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H](C)O ZINC000309966674 384745069 /nfs/dbraw/zinc/74/50/69/384745069.db2.gz NTQVYZVUDVJHQD-ZYUZMQFOSA-N 1 2 231.292 0.066 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H](C)O ZINC000309966673 384745087 /nfs/dbraw/zinc/74/50/87/384745087.db2.gz NTQVYZVUDVJHQD-UTINFBMNSA-N 1 2 231.292 0.066 20 0 BCADLO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000308489903 384745637 /nfs/dbraw/zinc/74/56/37/384745637.db2.gz QEEGEOJCCBTCEZ-VGMNWLOBSA-N 1 2 203.282 0.951 20 0 BCADLO COCC1CC[NH+](Cc2nncn2C)CC1 ZINC000536365628 384746099 /nfs/dbraw/zinc/74/60/99/384746099.db2.gz RWVDRGQPMCLBLF-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000557008973 384746194 /nfs/dbraw/zinc/74/61/94/384746194.db2.gz HJMFLRFKZPNDNY-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO COc1ncccc1C[NH2+]Cc1cnn(C)n1 ZINC000294321292 384751220 /nfs/dbraw/zinc/75/12/20/384751220.db2.gz XXJRAMPTOBHUIJ-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCO1 ZINC000087230617 384756134 /nfs/dbraw/zinc/75/61/34/384756134.db2.gz LTZGGXCDFLRVGU-JTQLQIEISA-N 1 2 209.249 0.595 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC1CCC1 ZINC000290774220 384758489 /nfs/dbraw/zinc/75/84/89/384758489.db2.gz RHHUGJGJMGKPNQ-UHFFFAOYSA-N 1 2 208.265 0.772 20 0 BCADLO COC(=O)C[NH+]1CCC(c2noc(C)n2)CC1 ZINC000363637663 384761353 /nfs/dbraw/zinc/76/13/53/384761353.db2.gz CDOJKTOTIPWMNI-UHFFFAOYSA-N 1 2 239.275 0.730 20 0 BCADLO CCOC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000647550651 384761735 /nfs/dbraw/zinc/76/17/35/384761735.db2.gz XJLLJVBCEVYVAQ-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO CC(C)(C)[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000306238448 384816803 /nfs/dbraw/zinc/81/68/03/384816803.db2.gz MFFNICAGWJPNBV-SECBINFHSA-N 1 2 219.350 0.458 20 0 BCADLO C[C@H](O)CCC[N@H+](CCO)CC(F)F ZINC000308566321 384817260 /nfs/dbraw/zinc/81/72/60/384817260.db2.gz HVPQOVJXCWODJB-QMMMGPOBSA-N 1 2 211.252 0.707 20 0 BCADLO C[C@H](O)CCC[N@@H+](CCO)CC(F)F ZINC000308566321 384817262 /nfs/dbraw/zinc/81/72/62/384817262.db2.gz HVPQOVJXCWODJB-QMMMGPOBSA-N 1 2 211.252 0.707 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cncc(O)c1 ZINC000104416634 384828472 /nfs/dbraw/zinc/82/84/72/384828472.db2.gz LKLQOQPJELBGSU-SECBINFHSA-N 1 2 246.270 0.802 20 0 BCADLO Cn1nncc1CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000362626465 384834232 /nfs/dbraw/zinc/83/42/32/384834232.db2.gz HIYVZKMKWHWMDJ-UHFFFAOYSA-N 1 2 246.249 0.865 20 0 BCADLO Cn1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)nn1 ZINC000362626716 384835111 /nfs/dbraw/zinc/83/51/11/384835111.db2.gz JHFQYPNIUDIYRL-UHFFFAOYSA-N 1 2 246.249 0.865 20 0 BCADLO CCC[C@H](C(=O)Nc1n[nH]c(C)n1)[NH+](C)C ZINC000163621220 384835786 /nfs/dbraw/zinc/83/57/86/384835786.db2.gz BOCSIJADLJTIAB-MRVPVSSYSA-N 1 2 225.296 0.782 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)sc1C ZINC000087396387 384783578 /nfs/dbraw/zinc/78/35/78/384783578.db2.gz QBSWPSUOZDNTJB-DTORHVGOSA-N 1 2 228.317 0.297 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)sc1C ZINC000087396387 384783586 /nfs/dbraw/zinc/78/35/86/384783586.db2.gz QBSWPSUOZDNTJB-DTORHVGOSA-N 1 2 228.317 0.297 20 0 BCADLO CCC[C@H](C(=O)Nc1nnc(C)[nH]1)[NH+](C)C ZINC000163621220 384835793 /nfs/dbraw/zinc/83/57/93/384835793.db2.gz BOCSIJADLJTIAB-MRVPVSSYSA-N 1 2 225.296 0.782 20 0 BCADLO CCC[C@H](C(=O)Nc1nc(C)n[nH]1)[NH+](C)C ZINC000163621220 384835797 /nfs/dbraw/zinc/83/57/97/384835797.db2.gz BOCSIJADLJTIAB-MRVPVSSYSA-N 1 2 225.296 0.782 20 0 BCADLO CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C(C)C ZINC000188314328 384799757 /nfs/dbraw/zinc/79/97/57/384799757.db2.gz RANYFULTMIOUQY-UHFFFAOYSA-N 1 2 236.319 0.926 20 0 BCADLO Cc1nc(NCCOC(C)(C)C)nc(N)[nH+]1 ZINC000308556263 384802994 /nfs/dbraw/zinc/80/29/94/384802994.db2.gz SQDGLKVBDQOBCI-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO Cc1nc(N)nc(NCCOC(C)(C)C)[nH+]1 ZINC000308556263 384803000 /nfs/dbraw/zinc/80/30/00/384803000.db2.gz SQDGLKVBDQOBCI-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000163478513 384810082 /nfs/dbraw/zinc/81/00/82/384810082.db2.gz CFDYAOQWWULNQQ-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000163478513 384810086 /nfs/dbraw/zinc/81/00/86/384810086.db2.gz CFDYAOQWWULNQQ-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000306263562 384837137 /nfs/dbraw/zinc/83/71/37/384837137.db2.gz YUFNSBGGEPRWEK-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000306263562 384837142 /nfs/dbraw/zinc/83/71/42/384837142.db2.gz YUFNSBGGEPRWEK-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H](O)C1 ZINC000174584938 384814021 /nfs/dbraw/zinc/81/40/21/384814021.db2.gz YOCDKOIFUZIYLA-SNVBAGLBSA-N 1 2 231.255 0.541 20 0 BCADLO COC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000308624902 384871779 /nfs/dbraw/zinc/87/17/79/384871779.db2.gz VMSDFKPJGVGVHF-VIFPVBQESA-N 1 2 201.266 0.300 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000528430797 384876284 /nfs/dbraw/zinc/87/62/84/384876284.db2.gz UXTPNSJJXWGKSY-CDETVPHDSA-N 1 2 243.694 0.365 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000528430797 384876289 /nfs/dbraw/zinc/87/62/89/384876289.db2.gz UXTPNSJJXWGKSY-CDETVPHDSA-N 1 2 243.694 0.365 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CCCCNC1=O ZINC000105612411 384876846 /nfs/dbraw/zinc/87/68/46/384876846.db2.gz PHRNMNXFXXHGHR-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO C[C@H](CNc1cccc[nH+]1)S(N)(=O)=O ZINC000306317298 384878309 /nfs/dbraw/zinc/87/83/09/384878309.db2.gz RVXPDKASNXNTKE-SSDOTTSWSA-N 1 2 215.278 0.171 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)COC(C)C)[nH]1 ZINC000428960950 384878559 /nfs/dbraw/zinc/87/85/59/384878559.db2.gz JXPZRGQHAWXJQV-JTQLQIEISA-N 1 2 242.323 0.331 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](CO)COC(C)C)[nH]1 ZINC000428960950 384878563 /nfs/dbraw/zinc/87/85/63/384878563.db2.gz JXPZRGQHAWXJQV-JTQLQIEISA-N 1 2 242.323 0.331 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000443481937 533091544 /nfs/dbraw/zinc/09/15/44/533091544.db2.gz GSCMDONWYSVZLE-VHSXEESVSA-N 1 2 240.307 0.606 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000186806594 384883446 /nfs/dbraw/zinc/88/34/46/384883446.db2.gz GISCVMDEHOXBMJ-SNVBAGLBSA-N 1 2 238.287 0.418 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105872396 384885261 /nfs/dbraw/zinc/88/52/61/384885261.db2.gz IFTZIQGOJOAUBA-BDAKNGLRSA-N 1 2 238.291 0.134 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000306332555 384886791 /nfs/dbraw/zinc/88/67/91/384886791.db2.gz QPFSVCOCAZUXBU-ZDMBXUJBSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000306332555 384886797 /nfs/dbraw/zinc/88/67/97/384886797.db2.gz QPFSVCOCAZUXBU-ZDMBXUJBSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306332554 384888150 /nfs/dbraw/zinc/88/81/50/384888150.db2.gz QPFSVCOCAZUXBU-VYUIOLGVSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306332554 384888157 /nfs/dbraw/zinc/88/81/57/384888157.db2.gz QPFSVCOCAZUXBU-VYUIOLGVSA-N 1 2 205.323 0.210 20 0 BCADLO CC(C)CCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000104732922 384842738 /nfs/dbraw/zinc/84/27/38/384842738.db2.gz CHUHUDXOJMQMQH-UHFFFAOYSA-N 1 2 245.348 0.849 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C1(S(C)(=O)=O)CC1 ZINC000309816585 384852184 /nfs/dbraw/zinc/85/21/84/384852184.db2.gz VJMPBOKEKHGXDW-MRVPVSSYSA-N 1 2 243.332 0.465 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156367914 384855346 /nfs/dbraw/zinc/85/53/46/384855346.db2.gz JJUUWMCXZLIDQJ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156367914 384855352 /nfs/dbraw/zinc/85/53/52/384855352.db2.gz JJUUWMCXZLIDQJ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@](O)(C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000362770192 384857494 /nfs/dbraw/zinc/85/74/94/384857494.db2.gz QIZOGLAYCZXRBA-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO CCCC[N@@H+]1CCO[C@@H](C[NH+](C)CC(=O)[O-])C1 ZINC000364014502 384859593 /nfs/dbraw/zinc/85/95/93/384859593.db2.gz VAADWZYGHVLPBL-NSHDSACASA-N 1 2 244.335 0.504 20 0 BCADLO CCCC[NH+]1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000364014502 384859607 /nfs/dbraw/zinc/85/96/07/384859607.db2.gz VAADWZYGHVLPBL-NSHDSACASA-N 1 2 244.335 0.504 20 0 BCADLO CCCC[NH+]1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000364014502 384859613 /nfs/dbraw/zinc/85/96/13/384859613.db2.gz VAADWZYGHVLPBL-NSHDSACASA-N 1 2 244.335 0.504 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186640203 384861863 /nfs/dbraw/zinc/86/18/63/384861863.db2.gz WMUOSFRFPHZKQO-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186640203 384861870 /nfs/dbraw/zinc/86/18/70/384861870.db2.gz WMUOSFRFPHZKQO-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO CCS(=O)(=O)NCCNc1cc(C)[nH+]cn1 ZINC000301229991 384867240 /nfs/dbraw/zinc/86/72/40/384867240.db2.gz HEZPWCJVTFQQLG-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO CC[N@H+](CCCO)Cc1nnc(C)n1C ZINC000128498427 384952393 /nfs/dbraw/zinc/95/23/93/384952393.db2.gz VYJBZRAXEZNSCV-UHFFFAOYSA-N 1 2 212.297 0.328 20 0 BCADLO CC[N@@H+](CCCO)Cc1nnc(C)n1C ZINC000128498427 384952402 /nfs/dbraw/zinc/95/24/02/384952402.db2.gz VYJBZRAXEZNSCV-UHFFFAOYSA-N 1 2 212.297 0.328 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2csnn2)[C@@H]1OC ZINC000309958307 384955907 /nfs/dbraw/zinc/95/59/07/384955907.db2.gz JSNBWOIGUUOUPB-AEJSXWLSSA-N 1 2 243.332 0.820 20 0 BCADLO COCCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000564834428 384892985 /nfs/dbraw/zinc/89/29/85/384892985.db2.gz AJOHRMSWJFRLDV-SECBINFHSA-N 1 2 243.332 0.638 20 0 BCADLO Cn1ncnc1C[N@H+](CCCCO)C1CC1 ZINC000177186692 384898264 /nfs/dbraw/zinc/89/82/64/384898264.db2.gz LXHFIWMOXLNFBZ-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1ncnc1C[N@@H+](CCCCO)C1CC1 ZINC000177186692 384898271 /nfs/dbraw/zinc/89/82/71/384898271.db2.gz LXHFIWMOXLNFBZ-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1COCCN1C ZINC000644471564 384902564 /nfs/dbraw/zinc/90/25/64/384902564.db2.gz LUWIQMCHUZHRNL-NSHDSACASA-N 1 2 249.314 0.968 20 0 BCADLO CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000370805383 384908369 /nfs/dbraw/zinc/90/83/69/384908369.db2.gz BWOCSKSFICBAQH-NSHDSACASA-N 1 2 238.331 0.720 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000187547894 384959202 /nfs/dbraw/zinc/95/92/02/384959202.db2.gz WYZKXYXXZNYYFN-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187547894 384959205 /nfs/dbraw/zinc/95/92/05/384959205.db2.gz WYZKXYXXZNYYFN-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H]1CCN(C)C1=O)CC2 ZINC000374701995 384924471 /nfs/dbraw/zinc/92/44/71/384924471.db2.gz QPJWRQTYJPICOB-JTQLQIEISA-N 1 2 234.303 0.238 20 0 BCADLO Nc1nc(N2CC(O)C2)[nH+]c2ccccc12 ZINC000301834824 384929735 /nfs/dbraw/zinc/92/97/35/384929735.db2.gz WCIOUZAPZPODAF-UHFFFAOYSA-N 1 2 216.244 0.393 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000149462528 384931614 /nfs/dbraw/zinc/93/16/14/384931614.db2.gz OBYXAOZYKKSLLI-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000149462528 384931623 /nfs/dbraw/zinc/93/16/23/384931623.db2.gz OBYXAOZYKKSLLI-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291837841 384939443 /nfs/dbraw/zinc/93/94/43/384939443.db2.gz JADVXSZNYWLTNQ-RKDXNWHRSA-N 1 2 240.307 0.643 20 0 BCADLO CC(C)(C)[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000566230856 384966451 /nfs/dbraw/zinc/96/64/51/384966451.db2.gz FIUXLRIFVVCCII-SFYZADRCSA-N 1 2 225.279 0.999 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1CO ZINC000345270196 384982687 /nfs/dbraw/zinc/98/26/87/384982687.db2.gz WLCLHGJPXGCAPA-SECBINFHSA-N 1 2 238.291 0.086 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCOCCO)C(=O)OC ZINC000309993726 385008358 /nfs/dbraw/zinc/00/83/58/385008358.db2.gz BQRGEISTZISNFJ-ZJUUUORDSA-N 1 2 233.308 0.173 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc2nccn21 ZINC000188070266 385010208 /nfs/dbraw/zinc/01/02/08/385010208.db2.gz WIXJXOREVXXNLP-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc2nccn21 ZINC000188070266 385010214 /nfs/dbraw/zinc/01/02/14/385010214.db2.gz WIXJXOREVXXNLP-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn2ccccc12 ZINC000188070985 385010949 /nfs/dbraw/zinc/01/09/49/385010949.db2.gz UDQROCAQQVGENM-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn2ccccc12 ZINC000188070985 385010959 /nfs/dbraw/zinc/01/09/59/385010959.db2.gz UDQROCAQQVGENM-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(CC(C)C)c1 ZINC000188069461 385012157 /nfs/dbraw/zinc/01/21/57/385012157.db2.gz MHFPBDQENSXFFY-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(CC(C)C)c1 ZINC000188069461 385012162 /nfs/dbraw/zinc/01/21/62/385012162.db2.gz MHFPBDQENSXFFY-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)c1ccon1)S(C)(=O)=O ZINC000644611671 385012293 /nfs/dbraw/zinc/01/22/93/385012293.db2.gz OABNJBMSQDAWMS-SFYZADRCSA-N 1 2 232.305 0.758 20 0 BCADLO CO[C@H](C)C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358605 385018206 /nfs/dbraw/zinc/01/82/06/385018206.db2.gz GWJUBQJBWSZVBL-SZEHBUNVSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@H](C)C[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358605 385018213 /nfs/dbraw/zinc/01/82/13/385018213.db2.gz GWJUBQJBWSZVBL-SZEHBUNVSA-N 1 2 241.291 0.521 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646913959 385066096 /nfs/dbraw/zinc/06/60/96/385066096.db2.gz OXUYKUNZOFZPRW-ZJUUUORDSA-N 1 2 237.303 0.190 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000371213742 385073768 /nfs/dbraw/zinc/07/37/68/385073768.db2.gz BMQUCROCDGAMNU-WCQYABFASA-N 1 2 249.314 0.957 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000371213743 385073891 /nfs/dbraw/zinc/07/38/91/385073891.db2.gz BMQUCROCDGAMNU-YPMHNXCESA-N 1 2 249.314 0.957 20 0 BCADLO Cn1ncc(Cl)c1C[NH2+]CCc1nc[nH]n1 ZINC000336679759 385077368 /nfs/dbraw/zinc/07/73/68/385077368.db2.gz NYXFRUWJQWCMSJ-UHFFFAOYSA-N 1 2 240.698 0.524 20 0 BCADLO C[C@@]1(C(=O)Nc2ccc3nn[nH]c3c2)CC[NH2+]C1 ZINC000150958956 385077754 /nfs/dbraw/zinc/07/77/54/385077754.db2.gz MXJPYHVQYGPLED-GFCCVEGCSA-N 1 2 245.286 0.896 20 0 BCADLO Cc1noc(CCC[NH+]2CCOCC2)n1 ZINC000407947828 385085052 /nfs/dbraw/zinc/08/50/52/385085052.db2.gz GDMFCNNYOVUWEF-UHFFFAOYSA-N 1 2 211.265 0.643 20 0 BCADLO Cc1noc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000644619974 385026656 /nfs/dbraw/zinc/02/66/56/385026656.db2.gz MYKLBPNWDAFDMA-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1noc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000644619974 385026662 /nfs/dbraw/zinc/02/66/62/385026662.db2.gz MYKLBPNWDAFDMA-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)[C@H](O)C1 ZINC000236098552 385027695 /nfs/dbraw/zinc/02/76/95/385027695.db2.gz QWKBVCMYFBHNJW-GHMZBOCLSA-N 1 2 233.271 0.115 20 0 BCADLO Cc1nocc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000402604498 385029705 /nfs/dbraw/zinc/02/97/05/385029705.db2.gz OWHAMDZHEMKNER-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000051887326 385034105 /nfs/dbraw/zinc/03/41/05/385034105.db2.gz CTJIVKQZABDGCQ-QMMMGPOBSA-N 1 2 223.276 0.761 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000051887326 385034111 /nfs/dbraw/zinc/03/41/11/385034111.db2.gz CTJIVKQZABDGCQ-QMMMGPOBSA-N 1 2 223.276 0.761 20 0 BCADLO C[C@H](O)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340161227 385039886 /nfs/dbraw/zinc/03/98/86/385039886.db2.gz CUVABMCRPQSLRF-IONNQARKSA-N 1 2 238.316 0.926 20 0 BCADLO CN(CCO)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000128514983 385044636 /nfs/dbraw/zinc/04/46/36/385044636.db2.gz VRULUBRVNGXLTN-UHFFFAOYSA-N 1 2 248.286 0.468 20 0 BCADLO CC[N@H+](CCN)CCCc1c[nH+]cn1C ZINC000314936703 385123810 /nfs/dbraw/zinc/12/38/10/385123810.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 1 2 210.325 0.633 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000644714780 385129604 /nfs/dbraw/zinc/12/96/04/385129604.db2.gz HPAYFCMYKSKJGY-MYJAWHEDSA-N 1 2 236.319 0.598 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000644714780 385129610 /nfs/dbraw/zinc/12/96/10/385129610.db2.gz HPAYFCMYKSKJGY-MYJAWHEDSA-N 1 2 236.319 0.598 20 0 BCADLO Cc1ccc(NC(=O)N[C@H](C)C(N)=O)c(C)[nH+]1 ZINC000176733748 385142330 /nfs/dbraw/zinc/14/23/30/385142330.db2.gz HQVCTZUGGKOACJ-MRVPVSSYSA-N 1 2 236.275 0.694 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1ncnn1C ZINC000088582912 385132686 /nfs/dbraw/zinc/13/26/86/385132686.db2.gz DTAIPVLAPPBIMH-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1ncnn1C ZINC000088582912 385132692 /nfs/dbraw/zinc/13/26/92/385132692.db2.gz DTAIPVLAPPBIMH-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714997 385133881 /nfs/dbraw/zinc/13/38/81/385133881.db2.gz FPRMJUGLWUPLPJ-URLYPYJESA-N 1 2 236.319 0.358 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714997 385133891 /nfs/dbraw/zinc/13/38/91/385133891.db2.gz FPRMJUGLWUPLPJ-URLYPYJESA-N 1 2 236.319 0.358 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3nccn3C(F)F)C[C@H]12 ZINC000644715442 385134577 /nfs/dbraw/zinc/13/45/77/385134577.db2.gz WJXKTLNNUHUKKL-BRPSZJMVSA-N 1 2 243.257 0.948 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@H]12 ZINC000644715442 385134584 /nfs/dbraw/zinc/13/45/84/385134584.db2.gz WJXKTLNNUHUKKL-BRPSZJMVSA-N 1 2 243.257 0.948 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000151090752 385085968 /nfs/dbraw/zinc/08/59/68/385085968.db2.gz XDEMWNKFHZJHON-RTMURIBGSA-N 1 2 202.685 0.949 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000151090752 385085976 /nfs/dbraw/zinc/08/59/76/385085976.db2.gz XDEMWNKFHZJHON-RTMURIBGSA-N 1 2 202.685 0.949 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC(F)F ZINC000361645656 385087411 /nfs/dbraw/zinc/08/74/11/385087411.db2.gz SMWZEFMNFDXRBN-SSDOTTSWSA-N 1 2 225.235 0.761 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC(F)F ZINC000361645656 385087418 /nfs/dbraw/zinc/08/74/18/385087418.db2.gz SMWZEFMNFDXRBN-SSDOTTSWSA-N 1 2 225.235 0.761 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)CC1(O)CCCC1 ZINC000407948062 385088735 /nfs/dbraw/zinc/08/87/35/385088735.db2.gz RQYOPMRVTXPWGX-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)CC1(O)CCCC1 ZINC000407948062 385088741 /nfs/dbraw/zinc/08/87/41/385088741.db2.gz RQYOPMRVTXPWGX-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c(C)n1 ZINC000176191492 385093083 /nfs/dbraw/zinc/09/30/83/385093083.db2.gz GDAHTNHANCURMH-GFCCVEGCSA-N 1 2 249.314 0.968 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C)n1 ZINC000176191492 385093088 /nfs/dbraw/zinc/09/30/88/385093088.db2.gz GDAHTNHANCURMH-GFCCVEGCSA-N 1 2 249.314 0.968 20 0 BCADLO OCCC[N@H+](CCO)Cc1nccn1C(F)F ZINC000304000631 385094814 /nfs/dbraw/zinc/09/48/14/385094814.db2.gz RACVLIZHIXTNNF-UHFFFAOYSA-N 1 2 249.261 0.455 20 0 BCADLO OCCC[N@@H+](CCO)Cc1nccn1C(F)F ZINC000304000631 385094820 /nfs/dbraw/zinc/09/48/20/385094820.db2.gz RACVLIZHIXTNNF-UHFFFAOYSA-N 1 2 249.261 0.455 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)co1 ZINC000188837022 385099263 /nfs/dbraw/zinc/09/92/63/385099263.db2.gz FZDLFOQFCUEYIS-LBPRGKRZSA-N 1 2 249.314 0.318 20 0 BCADLO O=C(C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)NC1CC1 ZINC000332122193 385099369 /nfs/dbraw/zinc/09/93/69/385099369.db2.gz HVHUKMAPXVGLLZ-MRVPVSSYSA-N 1 2 248.273 0.215 20 0 BCADLO O=C(C[N@H+]1CCC(F)(F)[C@@H](CO)C1)NC1CC1 ZINC000332122193 385099376 /nfs/dbraw/zinc/09/93/76/385099376.db2.gz HVHUKMAPXVGLLZ-MRVPVSSYSA-N 1 2 248.273 0.215 20 0 BCADLO Cc1cc(CC(=O)N2CC(n3cc[nH+]c3)C2)no1 ZINC000530824324 385100909 /nfs/dbraw/zinc/10/09/09/385100909.db2.gz HDDBKAKSIFJDJZ-UHFFFAOYSA-N 1 2 246.270 0.806 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000177141675 385189154 /nfs/dbraw/zinc/18/91/54/385189154.db2.gz BPQOQKKKOCNNAJ-LBPRGKRZSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000177141675 385189160 /nfs/dbraw/zinc/18/91/60/385189160.db2.gz BPQOQKKKOCNNAJ-LBPRGKRZSA-N 1 2 246.314 0.840 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2COCCN2C)c(C)[nH+]1 ZINC000408050565 385199147 /nfs/dbraw/zinc/19/91/47/385199147.db2.gz DSJMBKLPRHBBHA-LBPRGKRZSA-N 1 2 249.314 0.968 20 0 BCADLO CC[N@H+](CCO)Cc1c(Cl)cnn1C ZINC000189530686 385162285 /nfs/dbraw/zinc/16/22/85/385162285.db2.gz AYBFSULBRBIYJU-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1c(Cl)cnn1C ZINC000189530686 385162289 /nfs/dbraw/zinc/16/22/89/385162289.db2.gz AYBFSULBRBIYJU-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO C[C@@]1(O)CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000178005900 385172642 /nfs/dbraw/zinc/17/26/42/385172642.db2.gz MRLHLKDCPCRAFN-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@@]1(O)CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000178005900 385172643 /nfs/dbraw/zinc/17/26/43/385172643.db2.gz MRLHLKDCPCRAFN-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000107823575 385213841 /nfs/dbraw/zinc/21/38/41/385213841.db2.gz MKTWTPJNIPBTTH-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000107823575 385213847 /nfs/dbraw/zinc/21/38/47/385213847.db2.gz MKTWTPJNIPBTTH-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CF ZINC000557909386 385234179 /nfs/dbraw/zinc/23/41/79/385234179.db2.gz LAEPGQRPPIHINJ-VIFPVBQESA-N 1 2 225.267 0.923 20 0 BCADLO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccco1 ZINC000449784592 385235862 /nfs/dbraw/zinc/23/58/62/385235862.db2.gz BUUCYIZUSUQJTR-NSHDSACASA-N 1 2 224.304 0.778 20 0 BCADLO C[C@H]1CN(CCO)CC[N@H+]1Cc1ccco1 ZINC000449784592 385235866 /nfs/dbraw/zinc/23/58/66/385235866.db2.gz BUUCYIZUSUQJTR-NSHDSACASA-N 1 2 224.304 0.778 20 0 BCADLO Cn1cccc1C[NH+]1CCN(CCO)CC1 ZINC000153213775 385239692 /nfs/dbraw/zinc/23/96/92/385239692.db2.gz DNWNBVODLZHZBN-UHFFFAOYSA-N 1 2 223.320 0.135 20 0 BCADLO C[C@@H](CNc1nncs1)[NH+]1CCOCC1 ZINC000308888102 385243017 /nfs/dbraw/zinc/24/30/17/385243017.db2.gz WNYWGFOSHICNJX-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ncccc1N ZINC000401697148 385243100 /nfs/dbraw/zinc/24/31/00/385243100.db2.gz LMNRUMJRQPWGDQ-UHFFFAOYSA-N 1 2 245.286 0.370 20 0 BCADLO CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC000308890351 385244809 /nfs/dbraw/zinc/24/48/09/385244809.db2.gz XIRJAXPPHMVYOK-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000152697716 385205736 /nfs/dbraw/zinc/20/57/36/385205736.db2.gz PRQYHKCAUIVZGG-UWVGGRQHSA-N 1 2 240.307 0.199 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190031925 385206074 /nfs/dbraw/zinc/20/60/74/385206074.db2.gz DPDDEHJLMTXQQP-LBPRGKRZSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190031925 385206083 /nfs/dbraw/zinc/20/60/83/385206083.db2.gz DPDDEHJLMTXQQP-LBPRGKRZSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1noc(C[N@@H+](CCOCCO)C(C)C)n1 ZINC000336697551 385307943 /nfs/dbraw/zinc/30/79/43/385307943.db2.gz JRHYSGXJTUAUEG-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO Cc1noc(C[N@H+](CCOCCO)C(C)C)n1 ZINC000336697551 385307947 /nfs/dbraw/zinc/30/79/47/385307947.db2.gz JRHYSGXJTUAUEG-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)OC ZINC000308960722 385313488 /nfs/dbraw/zinc/31/34/88/385313488.db2.gz RXMMSKMLNLTPSD-UTLUCORTSA-N 1 2 215.293 0.953 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)OC ZINC000308960719 385314053 /nfs/dbraw/zinc/31/40/53/385314053.db2.gz RXMMSKMLNLTPSD-GUBZILKMSA-N 1 2 215.293 0.953 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000308965638 385317973 /nfs/dbraw/zinc/31/79/73/385317973.db2.gz VKSRUPFREZDKCY-PSASIEDQSA-N 1 2 215.293 0.953 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2c(cccc2C)n1 ZINC000191706770 385319303 /nfs/dbraw/zinc/31/93/03/385319303.db2.gz IEZXKQQXUQPTGB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2c(cccc2C)n1 ZINC000191706770 385319309 /nfs/dbraw/zinc/31/93/09/385319309.db2.gz IEZXKQQXUQPTGB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CCN(CC(N)=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000191706770 385319315 /nfs/dbraw/zinc/31/93/15/385319315.db2.gz IEZXKQQXUQPTGB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO Cc1nc(N2CC(S(C)(=O)=O)C2)cc[nH+]1 ZINC000407974606 385258730 /nfs/dbraw/zinc/25/87/30/385258730.db2.gz FWTGWCGRUVQJRT-UHFFFAOYSA-N 1 2 227.289 0.018 20 0 BCADLO COC1(C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000407976559 385267520 /nfs/dbraw/zinc/26/75/20/385267520.db2.gz NUKICAXCVOHDBY-UHFFFAOYSA-N 1 2 233.275 0.588 20 0 BCADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)OC)CC1 ZINC000157748724 385268232 /nfs/dbraw/zinc/26/82/32/385268232.db2.gz PVNLDAFPMDZZCU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)OC)CC1 ZINC000157748724 385268237 /nfs/dbraw/zinc/26/82/37/385268237.db2.gz PVNLDAFPMDZZCU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)OC)CC1 ZINC000157748865 385268901 /nfs/dbraw/zinc/26/89/01/385268901.db2.gz PVNLDAFPMDZZCU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)OC)CC1 ZINC000157748865 385268906 /nfs/dbraw/zinc/26/89/06/385268906.db2.gz PVNLDAFPMDZZCU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@H]1c1cccs1 ZINC000033889588 385270305 /nfs/dbraw/zinc/27/03/05/385270305.db2.gz AKCSDYAJUUUAAU-VIFPVBQESA-N 1 2 226.301 0.213 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@H]1c1cccs1 ZINC000033889588 385270313 /nfs/dbraw/zinc/27/03/13/385270313.db2.gz AKCSDYAJUUUAAU-VIFPVBQESA-N 1 2 226.301 0.213 20 0 BCADLO COC[C@](C)([NH2+]CCC1CC1)C(=O)OC ZINC000308910456 385285190 /nfs/dbraw/zinc/28/51/90/385285190.db2.gz DOMPFZDFNDFITF-NSHDSACASA-N 1 2 215.293 0.954 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000308927756 385289990 /nfs/dbraw/zinc/28/99/90/385289990.db2.gz IQPKPCYLBMOKLN-IQJOONFLSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc[nH]n1 ZINC000130880677 385291979 /nfs/dbraw/zinc/29/19/79/385291979.db2.gz NNAZVSLYHSKATK-RTHLEPHNSA-N 1 2 215.322 0.609 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc[nH]n1 ZINC000130880677 385291987 /nfs/dbraw/zinc/29/19/87/385291987.db2.gz NNAZVSLYHSKATK-RTHLEPHNSA-N 1 2 215.322 0.609 20 0 BCADLO CC[C@H](O)CCNC(=O)NCc1c[nH+]cn1C ZINC000292244111 385295404 /nfs/dbraw/zinc/29/54/04/385295404.db2.gz GPMDTCQYHPVDJM-JTQLQIEISA-N 1 2 240.307 0.380 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000177867620 385295956 /nfs/dbraw/zinc/29/59/56/385295956.db2.gz OFTXJELPIQEOCQ-MRVPVSSYSA-N 1 2 247.254 0.626 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000247164905 385297948 /nfs/dbraw/zinc/29/79/48/385297948.db2.gz JDKQSEYBARSJCS-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000247164905 385297951 /nfs/dbraw/zinc/29/79/51/385297951.db2.gz JDKQSEYBARSJCS-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C1([NH2+]CC[C@@H](C)O)CCCC1 ZINC000308943530 385298600 /nfs/dbraw/zinc/29/86/00/385298600.db2.gz MYHGQWNYBGWFGP-SECBINFHSA-N 1 2 215.293 0.833 20 0 BCADLO NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000158046139 385330792 /nfs/dbraw/zinc/33/07/92/385330792.db2.gz BYKVSZZPGGYHCY-VIFPVBQESA-N 1 2 220.276 0.719 20 0 BCADLO C[S@](=O)C1(C[NH2+]Cc2ccn[nH]2)CCC1 ZINC000280551380 385331929 /nfs/dbraw/zinc/33/19/29/385331929.db2.gz DVVOCKACGKBPBZ-HNNXBMFYSA-N 1 2 227.333 0.801 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](C[C@H](C)O)C1 ZINC000407999079 385346767 /nfs/dbraw/zinc/34/67/67/385346767.db2.gz SWTLUFIWMIUUKE-SFGNSQDASA-N 1 2 240.307 0.256 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](C[C@H](C)O)C1 ZINC000407999079 385346773 /nfs/dbraw/zinc/34/67/73/385346773.db2.gz SWTLUFIWMIUUKE-SFGNSQDASA-N 1 2 240.307 0.256 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cn(C(C)C)nn1 ZINC000516766801 385350591 /nfs/dbraw/zinc/35/05/91/385350591.db2.gz YJVUUTSXNXNPJO-GHMZBOCLSA-N 1 2 240.307 0.362 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000408010649 385389712 /nfs/dbraw/zinc/38/97/12/385389712.db2.gz LOMRZBFKVYEOHP-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000408010649 385389715 /nfs/dbraw/zinc/38/97/15/385389715.db2.gz LOMRZBFKVYEOHP-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000178365478 385361602 /nfs/dbraw/zinc/36/16/02/385361602.db2.gz YVCZCKGOMUODJV-VIFPVBQESA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000178365478 385361606 /nfs/dbraw/zinc/36/16/06/385361606.db2.gz YVCZCKGOMUODJV-VIFPVBQESA-N 1 2 211.265 0.846 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCC(O)CC1 ZINC000408058908 385364672 /nfs/dbraw/zinc/36/46/72/385364672.db2.gz AFBWTOSKKLNNQF-UHFFFAOYSA-N 1 2 235.287 0.801 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000192802922 385372277 /nfs/dbraw/zinc/37/22/77/385372277.db2.gz UZQIUGFYXSKFJJ-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000192802922 385372283 /nfs/dbraw/zinc/37/22/83/385372283.db2.gz UZQIUGFYXSKFJJ-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000155090867 385374790 /nfs/dbraw/zinc/37/47/90/385374790.db2.gz ISGZHWNYKPNATK-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000155090867 385374796 /nfs/dbraw/zinc/37/47/96/385374796.db2.gz ISGZHWNYKPNATK-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000180222001 385387418 /nfs/dbraw/zinc/38/74/18/385387418.db2.gz FZVZKJLYEKQHPV-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000180222001 385387423 /nfs/dbraw/zinc/38/74/23/385387423.db2.gz FZVZKJLYEKQHPV-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO CCC[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000408009186 385388477 /nfs/dbraw/zinc/38/84/77/385388477.db2.gz KPJQYGZPTGPYAE-UHFFFAOYSA-N 1 2 249.380 0.257 20 0 BCADLO COC(=O)[C@@H](CF)NCc1c[nH+]cn1C ZINC000308971775 385328179 /nfs/dbraw/zinc/32/81/79/385328179.db2.gz ZYQDSMKMMUVZIS-MRVPVSSYSA-N 1 2 215.228 0.021 20 0 BCADLO Cc1cn[nH]c1CNC[C@@H]1CCC[N@H+]1C ZINC000289768879 385395463 /nfs/dbraw/zinc/39/54/63/385395463.db2.gz GIGLQTUKRDQAKK-JTQLQIEISA-N 1 2 208.309 0.902 20 0 BCADLO Cc1cn[nH]c1CNC[C@@H]1CCC[N@@H+]1C ZINC000289768879 385395469 /nfs/dbraw/zinc/39/54/69/385395469.db2.gz GIGLQTUKRDQAKK-JTQLQIEISA-N 1 2 208.309 0.902 20 0 BCADLO C[C@@H](CCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178610454 385397810 /nfs/dbraw/zinc/39/78/10/385397810.db2.gz MOJCMKFYCNNGFP-VIFPVBQESA-N 1 2 233.271 0.835 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)CCS1 ZINC000193494117 385398869 /nfs/dbraw/zinc/39/88/69/385398869.db2.gz CNCSKVUNNZIDOP-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)CCS1 ZINC000193494117 385398873 /nfs/dbraw/zinc/39/88/73/385398873.db2.gz CNCSKVUNNZIDOP-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)oc1C ZINC000193644655 385404153 /nfs/dbraw/zinc/40/41/53/385404153.db2.gz JYKPENGTPPPDBB-HQJQHLMTSA-N 1 2 237.303 0.906 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)oc1C ZINC000193644645 385405408 /nfs/dbraw/zinc/40/54/08/385405408.db2.gz JYKPENGTPPPDBB-RDDDGLTNSA-N 1 2 237.303 0.906 20 0 BCADLO COC(=O)NC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000491368062 385411982 /nfs/dbraw/zinc/41/19/82/385411982.db2.gz URPAFKKMFGTSMV-UHFFFAOYSA-N 1 2 240.263 0.161 20 0 BCADLO COC(=O)CCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362067340 385415157 /nfs/dbraw/zinc/41/51/57/385415157.db2.gz QFQQQSGNSZMAOZ-UWVGGRQHSA-N 1 2 247.360 0.781 20 0 BCADLO CSCCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000281256611 385419437 /nfs/dbraw/zinc/41/94/37/385419437.db2.gz DZXWUIZRBCTCRS-UHFFFAOYSA-N 1 2 242.352 0.221 20 0 BCADLO CSCCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000281256611 385419440 /nfs/dbraw/zinc/41/94/40/385419440.db2.gz DZXWUIZRBCTCRS-UHFFFAOYSA-N 1 2 242.352 0.221 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](CO)C1 ZINC000492810569 385439298 /nfs/dbraw/zinc/43/92/98/385439298.db2.gz IGHMZQJIBPUETN-XOULXFPDSA-N 1 2 235.287 0.654 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194720742 385447613 /nfs/dbraw/zinc/44/76/13/385447613.db2.gz OGVWPUGGERIHLL-VWYCJHECSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCC=CO1 ZINC000194720742 385447617 /nfs/dbraw/zinc/44/76/17/385447617.db2.gz OGVWPUGGERIHLL-VWYCJHECSA-N 1 2 241.287 0.287 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC1=O ZINC000492860037 385451420 /nfs/dbraw/zinc/45/14/20/385451420.db2.gz HOSSIKXWDFJPSZ-XRVBUDJMSA-N 1 2 233.271 0.908 20 0 BCADLO CC[C@](C)([NH2+]Cc1nc(C)no1)C(N)=O ZINC000309176664 385452076 /nfs/dbraw/zinc/45/20/76/385452076.db2.gz MYFYEFZMSXPLPH-VIFPVBQESA-N 1 2 212.253 0.122 20 0 BCADLO CC1(C)COCN1C(=O)CCn1cc[nH+]c1 ZINC000647666099 385427508 /nfs/dbraw/zinc/42/75/08/385427508.db2.gz DLYLNVLKXFXWCB-UHFFFAOYSA-N 1 2 223.276 0.868 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364424550 385433275 /nfs/dbraw/zinc/43/32/75/385433275.db2.gz WNPNDHCVNKLGMS-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364424552 385433763 /nfs/dbraw/zinc/43/37/63/385433763.db2.gz WNPNDHCVNKLGMS-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@H]([NH2+]CC(=O)OC)[C@H]1CCCO1 ZINC000182245869 385435322 /nfs/dbraw/zinc/43/53/22/385435322.db2.gz ZPTSORYFDIAOFZ-DTWKUNHWSA-N 1 2 201.266 0.707 20 0 BCADLO COC(=O)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000171093470 385468314 /nfs/dbraw/zinc/46/83/14/385468314.db2.gz PTDKXASUCKMCMA-ZETCQYMHSA-N 1 2 249.274 0.584 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000364631605 385482134 /nfs/dbraw/zinc/48/21/34/385482134.db2.gz IXQGQQXAHJUYJX-SNVBAGLBSA-N 1 2 237.259 0.619 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000364631605 385482138 /nfs/dbraw/zinc/48/21/38/385482138.db2.gz IXQGQQXAHJUYJX-SNVBAGLBSA-N 1 2 237.259 0.619 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000364631604 385483216 /nfs/dbraw/zinc/48/32/16/385483216.db2.gz IXQGQQXAHJUYJX-JTQLQIEISA-N 1 2 237.259 0.619 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000364631604 385483220 /nfs/dbraw/zinc/48/32/20/385483220.db2.gz IXQGQQXAHJUYJX-JTQLQIEISA-N 1 2 237.259 0.619 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@H]1CCCCNC1=O ZINC000179302057 385459021 /nfs/dbraw/zinc/45/90/21/385459021.db2.gz RKALWFSGTHHVRO-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@H]1CCCCNC1=O ZINC000179302057 385459024 /nfs/dbraw/zinc/45/90/24/385459024.db2.gz RKALWFSGTHHVRO-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@@H]1CCCCNC1=O ZINC000179302045 385459259 /nfs/dbraw/zinc/45/92/59/385459259.db2.gz RKALWFSGTHHVRO-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@@H]1CCCCNC1=O ZINC000179302045 385459261 /nfs/dbraw/zinc/45/92/61/385459261.db2.gz RKALWFSGTHHVRO-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO COC[C@@](C)([NH2+]CC1CCC1)C(=O)OC ZINC000182594469 385459653 /nfs/dbraw/zinc/45/96/53/385459653.db2.gz DDJHPZRPQHIASZ-LLVKDONJSA-N 1 2 215.293 0.954 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1nncs1 ZINC000492902106 385462862 /nfs/dbraw/zinc/46/28/62/385462862.db2.gz QNROKAHSDLRAPD-IHWYPQMZSA-N 1 2 235.272 0.937 20 0 BCADLO Cn1ccc(C(=O)Nc2cc[nH+]cc2O)cc1=O ZINC000109889551 385491565 /nfs/dbraw/zinc/49/15/65/385491565.db2.gz GPVGTRPSPJACFT-UHFFFAOYSA-N 1 2 245.238 0.738 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1c[nH+]c[nH]1 ZINC000179898564 385498527 /nfs/dbraw/zinc/49/85/27/385498527.db2.gz ZGUHUEXDBBHCPK-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1c[nH]c[nH+]1 ZINC000179898564 385498531 /nfs/dbraw/zinc/49/85/31/385498531.db2.gz ZGUHUEXDBBHCPK-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO Cn1nccc1C[NH2+]CN1CCC(=O)CC1 ZINC000273034813 385503832 /nfs/dbraw/zinc/50/38/32/385503832.db2.gz FDLGQWPYPGAXQM-UHFFFAOYSA-N 1 2 222.292 0.132 20 0 BCADLO CO[C@@H](C)c1nsc(N2CC[NH+](C)CC2)n1 ZINC000309270539 385505748 /nfs/dbraw/zinc/50/57/48/385505748.db2.gz GCFDVUOHLFWFST-QMMMGPOBSA-N 1 2 242.348 0.997 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nccn2C)C1 ZINC000309312810 385531515 /nfs/dbraw/zinc/53/15/15/385531515.db2.gz XPIXBORDCNZIRZ-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nccn2C)C1 ZINC000309312810 385531520 /nfs/dbraw/zinc/53/15/20/385531520.db2.gz XPIXBORDCNZIRZ-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC000334328589 385537430 /nfs/dbraw/zinc/53/74/30/385537430.db2.gz MYHYSZIIUGABMI-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC000334328589 385537434 /nfs/dbraw/zinc/53/74/34/385537434.db2.gz MYHYSZIIUGABMI-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000183462749 385549279 /nfs/dbraw/zinc/54/92/79/385549279.db2.gz TUTVYCHQEYCWQD-VHSXEESVSA-N 1 2 215.293 0.953 20 0 BCADLO CCO/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493100689 385520315 /nfs/dbraw/zinc/52/03/15/385520315.db2.gz BIJZWDQHOFHDQY-UDIARPCQSA-N 1 2 235.287 0.933 20 0 BCADLO CCOC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493100689 385520319 /nfs/dbraw/zinc/52/03/19/385520319.db2.gz BIJZWDQHOFHDQY-UDIARPCQSA-N 1 2 235.287 0.933 20 0 BCADLO CCN(C)C(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110444 385522315 /nfs/dbraw/zinc/52/23/15/385522315.db2.gz ALDWYPWESDTVCX-SNAWJCMRSA-N 1 2 236.275 0.017 20 0 BCADLO C[C@]1(O)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000408156116 385574751 /nfs/dbraw/zinc/57/47/51/385574751.db2.gz WKFSAXCGUMPMOS-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@]1(O)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000408156116 385574755 /nfs/dbraw/zinc/57/47/55/385574755.db2.gz WKFSAXCGUMPMOS-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO COC(=O)C1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493322964 385563128 /nfs/dbraw/zinc/56/31/28/385563128.db2.gz PHVPYUSLBBFROV-ONEGZZNKSA-N 1 2 249.270 0.444 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493325394 385564077 /nfs/dbraw/zinc/56/40/77/385564077.db2.gz SAUQOCLTMPQILG-HUGTUPKYSA-N 1 2 221.260 0.717 20 0 BCADLO C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CC(=O)N1 ZINC000408161524 385580515 /nfs/dbraw/zinc/58/05/15/385580515.db2.gz NCEMGDPFYIHPPR-JGVFFNPUSA-N 1 2 249.270 0.062 20 0 BCADLO CCN(c1[nH+]cnc2c1cnn2C)[C@H]1CCOC1 ZINC000643176653 385584900 /nfs/dbraw/zinc/58/49/00/385584900.db2.gz KUSZDVFFMHVOQO-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO C[C@@H](CO)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000269647728 385617065 /nfs/dbraw/zinc/61/70/65/385617065.db2.gz SUWHOIUNFPNFNJ-MRVPVSSYSA-N 1 2 248.290 0.285 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nc(C)no1 ZINC000269674676 385624690 /nfs/dbraw/zinc/62/46/90/385624690.db2.gz RUABCNCLRGQYTP-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nc(C)no1 ZINC000269674676 385624695 /nfs/dbraw/zinc/62/46/95/385624695.db2.gz RUABCNCLRGQYTP-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO CCC1(O)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000269704368 385625665 /nfs/dbraw/zinc/62/56/65/385625665.db2.gz NFGDAYWEAKGGTO-UHFFFAOYSA-N 1 2 236.319 0.796 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(C)OCCO2)c[nH+]1 ZINC000269734342 385632570 /nfs/dbraw/zinc/63/25/70/385632570.db2.gz YWLWYYZJWBEXSA-UHFFFAOYSA-N 1 2 225.248 0.211 20 0 BCADLO Cc1cc(N2CCCS(=O)(=O)CC2)nc[nH+]1 ZINC000408198269 385610183 /nfs/dbraw/zinc/61/01/83/385610183.db2.gz QMDNAYPTYGGKHZ-UHFFFAOYSA-N 1 2 241.316 0.410 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000336681962 385637334 /nfs/dbraw/zinc/63/73/34/385637334.db2.gz YIHLGYJOGGWEQQ-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000336681962 385637339 /nfs/dbraw/zinc/63/73/39/385637339.db2.gz YIHLGYJOGGWEQQ-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354696375 385638017 /nfs/dbraw/zinc/63/80/17/385638017.db2.gz BOXACRAQMSXSMT-OLZOCXBDSA-N 1 2 248.330 0.959 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354696375 385638020 /nfs/dbraw/zinc/63/80/20/385638020.db2.gz BOXACRAQMSXSMT-OLZOCXBDSA-N 1 2 248.330 0.959 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337382822 385638270 /nfs/dbraw/zinc/63/82/70/385638270.db2.gz CWMNMQQRRYVCTI-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337382822 385638273 /nfs/dbraw/zinc/63/82/73/385638273.db2.gz CWMNMQQRRYVCTI-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000365700729 385639600 /nfs/dbraw/zinc/63/96/00/385639600.db2.gz ZPAWYNWMUJWTLD-JQWIXIFHSA-N 1 2 235.287 0.463 20 0 BCADLO CC[C@H]1C[N@H+](Cc2csnn2)C[C@H]1O ZINC000306895957 385640283 /nfs/dbraw/zinc/64/02/83/385640283.db2.gz OIOOFEIWINXLEB-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2csnn2)C[C@H]1O ZINC000306895957 385640287 /nfs/dbraw/zinc/64/02/87/385640287.db2.gz OIOOFEIWINXLEB-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000353136257 385642512 /nfs/dbraw/zinc/64/25/12/385642512.db2.gz KQABXJOOXYRHDC-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000353136257 385642516 /nfs/dbraw/zinc/64/25/16/385642516.db2.gz KQABXJOOXYRHDC-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000353136255 385642812 /nfs/dbraw/zinc/64/28/12/385642812.db2.gz KQABXJOOXYRHDC-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000353136255 385642819 /nfs/dbraw/zinc/64/28/19/385642819.db2.gz KQABXJOOXYRHDC-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337413792 385644757 /nfs/dbraw/zinc/64/47/57/385644757.db2.gz QFEZWGRFFVVDFD-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337413792 385644760 /nfs/dbraw/zinc/64/47/60/385644760.db2.gz QFEZWGRFFVVDFD-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO [NH3+][C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000057954613 385650888 /nfs/dbraw/zinc/65/08/88/385650888.db2.gz TYVUVUQCINMVJD-SNVBAGLBSA-N 1 2 236.246 0.454 20 0 BCADLO COC(=O)CCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337421390 385651992 /nfs/dbraw/zinc/65/19/92/385651992.db2.gz UVGKRMZDWWKBNH-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337421390 385652000 /nfs/dbraw/zinc/65/20/00/385652000.db2.gz UVGKRMZDWWKBNH-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCc1cccnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000269952372 385653042 /nfs/dbraw/zinc/65/30/42/385653042.db2.gz YLMKJKOOADMSJJ-LLVKDONJSA-N 1 2 249.314 0.913 20 0 BCADLO CCc1cccnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000269952372 385653048 /nfs/dbraw/zinc/65/30/48/385653048.db2.gz YLMKJKOOADMSJJ-LLVKDONJSA-N 1 2 249.314 0.913 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293580781 385659764 /nfs/dbraw/zinc/65/97/64/385659764.db2.gz ASADJTWUCHXGEI-UWVGGRQHSA-N 1 2 236.319 0.957 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000408207647 385662289 /nfs/dbraw/zinc/66/22/89/385662289.db2.gz IOYBNBIZONSIDW-ONGXEEELSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000408207647 385662291 /nfs/dbraw/zinc/66/22/91/385662291.db2.gz IOYBNBIZONSIDW-ONGXEEELSA-N 1 2 240.307 0.051 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccon1 ZINC000309526107 385662797 /nfs/dbraw/zinc/66/27/97/385662797.db2.gz COVULECHFQFRNU-MRVPVSSYSA-N 1 2 223.276 0.851 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000308983698 385681664 /nfs/dbraw/zinc/68/16/64/385681664.db2.gz FXTVDOIISUXFDI-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000308983698 385681672 /nfs/dbraw/zinc/68/16/72/385681672.db2.gz FXTVDOIISUXFDI-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1cnc(N)s1 ZINC000086766228 385684744 /nfs/dbraw/zinc/68/47/44/385684744.db2.gz BDEMBJLCBDVLTC-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cnc(N)s1 ZINC000086766228 385684748 /nfs/dbraw/zinc/68/47/48/385684748.db2.gz BDEMBJLCBDVLTC-UHFFFAOYSA-N 1 2 240.332 0.436 20 0 BCADLO CC[C@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451828744 385687411 /nfs/dbraw/zinc/68/74/11/385687411.db2.gz HWYOYTPEFLZRGM-SFYZADRCSA-N 1 2 211.252 0.705 20 0 BCADLO CC[C@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451828744 385687415 /nfs/dbraw/zinc/68/74/15/385687415.db2.gz HWYOYTPEFLZRGM-SFYZADRCSA-N 1 2 211.252 0.705 20 0 BCADLO c1ncn2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000647939663 385695678 /nfs/dbraw/zinc/69/56/78/385695678.db2.gz WKPHVLANMZKVHD-NSHDSACASA-N 1 2 207.277 0.878 20 0 BCADLO c1ncn2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000647939663 385695680 /nfs/dbraw/zinc/69/56/80/385695680.db2.gz WKPHVLANMZKVHD-NSHDSACASA-N 1 2 207.277 0.878 20 0 BCADLO c1[nH+]cn2c1CN(C[C@@H]1CCCO1)CC2 ZINC000647939663 385695686 /nfs/dbraw/zinc/69/56/86/385695686.db2.gz WKPHVLANMZKVHD-NSHDSACASA-N 1 2 207.277 0.878 20 0 BCADLO Cc1[nH]c(C(=O)NCC2([S@](C)=O)CC2)c[nH+]1 ZINC000281719326 385697343 /nfs/dbraw/zinc/69/73/43/385697343.db2.gz GSYIAYQZWNFLIH-INIZCTEOSA-N 1 2 241.316 0.359 20 0 BCADLO Cn1cccc1C(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939673 385701516 /nfs/dbraw/zinc/70/15/16/385701516.db2.gz WWNDTOZFJRMBCO-UHFFFAOYSA-N 1 2 244.298 0.920 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408457273 385703078 /nfs/dbraw/zinc/70/30/78/385703078.db2.gz OEXNCEVZXVNKNL-RKDXNWHRSA-N 1 2 241.291 0.990 20 0 BCADLO CO[C@H](C)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408457273 385703083 /nfs/dbraw/zinc/70/30/83/385703083.db2.gz OEXNCEVZXVNKNL-RKDXNWHRSA-N 1 2 241.291 0.990 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1nccn1C)C(=O)NCCF ZINC000337547679 385704703 /nfs/dbraw/zinc/70/47/03/385704703.db2.gz MOANEOUCCDFADU-RKDXNWHRSA-N 1 2 242.298 0.545 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000281907429 385713864 /nfs/dbraw/zinc/71/38/64/385713864.db2.gz QGUREPBSWHZYQD-VHSXEESVSA-N 1 2 239.319 0.892 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000307362561 385715853 /nfs/dbraw/zinc/71/58/53/385715853.db2.gz IUPXHSMCZJPFLI-RNFRBKRXSA-N 1 2 213.310 0.194 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCNC(=O)CC1 ZINC000184511625 385668328 /nfs/dbraw/zinc/66/83/28/385668328.db2.gz AYWMKWLHUYZWBP-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCNC(=O)CC1 ZINC000184511625 385668333 /nfs/dbraw/zinc/66/83/33/385668333.db2.gz AYWMKWLHUYZWBP-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cs1 ZINC000270672739 385728620 /nfs/dbraw/zinc/72/86/20/385728620.db2.gz SKOJUVOETBOFCN-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cs1 ZINC000270672739 385728625 /nfs/dbraw/zinc/72/86/25/385728625.db2.gz SKOJUVOETBOFCN-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000270774392 385742259 /nfs/dbraw/zinc/74/22/59/385742259.db2.gz RCYXKGTZUUNHLD-SNVBAGLBSA-N 1 2 249.314 0.679 20 0 BCADLO CCOCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC000309614030 385742364 /nfs/dbraw/zinc/74/23/64/385742364.db2.gz CEMPPXMMFHHKTI-VIFPVBQESA-N 1 2 233.308 0.315 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)[nH]1 ZINC000336694580 385743061 /nfs/dbraw/zinc/74/30/61/385743061.db2.gz YDEMLIUVIKMETG-VIFPVBQESA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)[nH]1 ZINC000336694580 385743069 /nfs/dbraw/zinc/74/30/69/385743069.db2.gz YDEMLIUVIKMETG-VIFPVBQESA-N 1 2 224.308 0.706 20 0 BCADLO O=C(CO)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000270806350 385745896 /nfs/dbraw/zinc/74/58/96/385745896.db2.gz OPHCDAABKNGJLR-MRVPVSSYSA-N 1 2 209.249 0.456 20 0 BCADLO CC(C)(C)OC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186207650 385748012 /nfs/dbraw/zinc/74/80/12/385748012.db2.gz BWXLCGJKNUKAGM-UHFFFAOYSA-N 1 2 230.308 0.572 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282446148 385763544 /nfs/dbraw/zinc/76/35/44/385763544.db2.gz ZQMCUUICCIHGTR-MRVPVSSYSA-N 1 2 237.303 0.954 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282446148 385763545 /nfs/dbraw/zinc/76/35/45/385763545.db2.gz ZQMCUUICCIHGTR-MRVPVSSYSA-N 1 2 237.303 0.954 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000340121844 385720092 /nfs/dbraw/zinc/72/00/92/385720092.db2.gz RIBGXOQCWNULBY-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000186817346 385798797 /nfs/dbraw/zinc/79/87/97/385798797.db2.gz UUUUEBOWHXZWTP-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000186817346 385798801 /nfs/dbraw/zinc/79/88/01/385798801.db2.gz UUUUEBOWHXZWTP-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(=O)[nH]1 ZINC000571602937 385805445 /nfs/dbraw/zinc/80/54/45/385805445.db2.gz PEFKFCKAXJWTOI-UHFFFAOYSA-N 1 2 232.243 0.931 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000284245690 385856808 /nfs/dbraw/zinc/85/68/08/385856808.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000284245690 385856811 /nfs/dbraw/zinc/85/68/11/385856811.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000284245690 385856814 /nfs/dbraw/zinc/85/68/14/385856814.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000284245690 385856819 /nfs/dbraw/zinc/85/68/19/385856819.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000284245690 385856822 /nfs/dbraw/zinc/85/68/22/385856822.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000284245690 385856826 /nfs/dbraw/zinc/85/68/26/385856826.db2.gz LDTWJSDSRMGKJQ-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1ccc(C[S@@](=O)CC(N)=O)c(C)[nH+]1 ZINC000337862062 385808967 /nfs/dbraw/zinc/80/89/67/385808967.db2.gz BMTSEQOYNACILA-OAHLLOKOSA-N 1 2 226.301 0.432 20 0 BCADLO COC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000283205731 385811786 /nfs/dbraw/zinc/81/17/86/385811786.db2.gz RHDJVPCBVADXJZ-HMDXOVGESA-N 1 2 239.275 0.201 20 0 BCADLO CO[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283294724 385816564 /nfs/dbraw/zinc/81/65/64/385816564.db2.gz XCDXFLRQQYDVCU-RTMURIBGSA-N 1 2 209.249 0.574 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCc1ccccn1 ZINC000159297266 385833810 /nfs/dbraw/zinc/83/38/10/385833810.db2.gz GVQHHCWQOKWEMF-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCc1ccccn1 ZINC000159297266 385833813 /nfs/dbraw/zinc/83/38/13/385833813.db2.gz GVQHHCWQOKWEMF-GFCCVEGCSA-N 1 2 222.288 0.317 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414569995 385834055 /nfs/dbraw/zinc/83/40/55/385834055.db2.gz IXXHTSAEMQUFBQ-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414569995 385834058 /nfs/dbraw/zinc/83/40/58/385834058.db2.gz IXXHTSAEMQUFBQ-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414569992 385834088 /nfs/dbraw/zinc/83/40/88/385834088.db2.gz IXXHTSAEMQUFBQ-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414569992 385834090 /nfs/dbraw/zinc/83/40/90/385834090.db2.gz IXXHTSAEMQUFBQ-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414569997 385834757 /nfs/dbraw/zinc/83/47/57/385834757.db2.gz IXXHTSAEMQUFBQ-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414569997 385834761 /nfs/dbraw/zinc/83/47/61/385834761.db2.gz IXXHTSAEMQUFBQ-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO C[N@H+](Cc1nc(=O)[nH][nH]1)[C@@H](CO)c1ccccc1 ZINC000271607423 385842159 /nfs/dbraw/zinc/84/21/59/385842159.db2.gz JPODYDVEXAHQEH-JTQLQIEISA-N 1 2 248.286 0.263 20 0 BCADLO C[N@@H+](Cc1nc(=O)[nH][nH]1)[C@@H](CO)c1ccccc1 ZINC000271607423 385842162 /nfs/dbraw/zinc/84/21/62/385842162.db2.gz JPODYDVEXAHQEH-JTQLQIEISA-N 1 2 248.286 0.263 20 0 BCADLO CCC[C@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000112429957 385843358 /nfs/dbraw/zinc/84/33/58/385843358.db2.gz VFUTZCXZTITBIX-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)CCN1CCOCC1 ZINC000284266791 385858724 /nfs/dbraw/zinc/85/87/24/385858724.db2.gz SEEFBABXAVFPKE-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CCN1CCOCC1 ZINC000284266791 385858730 /nfs/dbraw/zinc/85/87/30/385858730.db2.gz SEEFBABXAVFPKE-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)CCN1CCOCC1 ZINC000284266791 385858736 /nfs/dbraw/zinc/85/87/36/385858736.db2.gz SEEFBABXAVFPKE-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)CCN1CCOCC1 ZINC000284266791 385858742 /nfs/dbraw/zinc/85/87/42/385858742.db2.gz SEEFBABXAVFPKE-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000271146194 385793591 /nfs/dbraw/zinc/79/35/91/385793591.db2.gz AGWAJUPIDXZAIG-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000271146194 385793594 /nfs/dbraw/zinc/79/35/94/385793594.db2.gz AGWAJUPIDXZAIG-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(CCO)CC(F)F ZINC000231336885 385796872 /nfs/dbraw/zinc/79/68/72/385796872.db2.gz IGPUQZHYYCLIHA-UHFFFAOYSA-N 1 2 247.245 0.359 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285451453 385928533 /nfs/dbraw/zinc/92/85/33/385928533.db2.gz JCTXZESZSSXHMT-LLVKDONJSA-N 1 2 248.282 0.475 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285451453 385928538 /nfs/dbraw/zinc/92/85/38/385928538.db2.gz JCTXZESZSSXHMT-LLVKDONJSA-N 1 2 248.282 0.475 20 0 BCADLO O=C1CN(C2CC2)C(=O)N1CCCn1cc[nH+]c1 ZINC000272256797 385888273 /nfs/dbraw/zinc/88/82/73/385888273.db2.gz PZPBSYHZBOMOSG-UHFFFAOYSA-N 1 2 248.286 0.700 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(c1ncccn1)C2 ZINC000647842664 385891504 /nfs/dbraw/zinc/89/15/04/385891504.db2.gz DDVGJEXLHNQVCU-UHFFFAOYSA-N 1 2 201.233 0.762 20 0 BCADLO c1nc(N2CCOCC2)c2c([nH+]1)NCCO2 ZINC000647844532 385895503 /nfs/dbraw/zinc/89/55/03/385895503.db2.gz IPUCJLARMNSKJB-UHFFFAOYSA-N 1 2 222.248 0.118 20 0 BCADLO c1nc2c(c(N3CCOCC3)[nH+]1)OCCN2 ZINC000647844532 385895507 /nfs/dbraw/zinc/89/55/07/385895507.db2.gz IPUCJLARMNSKJB-UHFFFAOYSA-N 1 2 222.248 0.118 20 0 BCADLO Cc1nc(N[C@@H](C)[C@@H](C)CO)nc(N)[nH+]1 ZINC000308859104 385899600 /nfs/dbraw/zinc/89/96/00/385899600.db2.gz JHFVJJGUUOHKRU-WDSKDSINSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000308859104 385899601 /nfs/dbraw/zinc/89/96/01/385899601.db2.gz JHFVJJGUUOHKRU-WDSKDSINSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000308886270 385904044 /nfs/dbraw/zinc/90/40/44/385904044.db2.gz PXWRNHZREJCHAL-RNFRBKRXSA-N 1 2 207.281 0.854 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000308886270 385904047 /nfs/dbraw/zinc/90/40/47/385904047.db2.gz PXWRNHZREJCHAL-RNFRBKRXSA-N 1 2 207.281 0.854 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000285273161 385910691 /nfs/dbraw/zinc/91/06/91/385910691.db2.gz VZDNUFISFIENOF-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO COC1(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000272679095 385924978 /nfs/dbraw/zinc/92/49/78/385924978.db2.gz BAZBMOSZHAOTSA-UHFFFAOYSA-N 1 2 223.276 0.605 20 0 BCADLO CC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000340190954 385867142 /nfs/dbraw/zinc/86/71/42/385867142.db2.gz CYIGEPHFZSSGON-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO COC[C@H](O)CCNc1cc[nH+]c(C)n1 ZINC000123283325 385867578 /nfs/dbraw/zinc/86/75/78/385867578.db2.gz VBDKKIBBIHSHIR-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO CC[C@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000272020619 385868083 /nfs/dbraw/zinc/86/80/83/385868083.db2.gz CDUDZTNTSDAXOE-SECBINFHSA-N 1 2 236.275 0.604 20 0 BCADLO CC(C)(C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284442001 385868178 /nfs/dbraw/zinc/86/81/78/385868178.db2.gz QDSFETWCVDUVKA-ORAHPGNNSA-N 1 2 237.303 0.946 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284457264 385870418 /nfs/dbraw/zinc/87/04/18/385870418.db2.gz RQWAFLIBIKYXOE-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)C1CC1 ZINC000284505896 385873575 /nfs/dbraw/zinc/87/35/75/385873575.db2.gz VHGFZKJZKHSGAE-DAFODLJHSA-N 1 2 221.260 0.406 20 0 BCADLO C[C@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284552005 385874482 /nfs/dbraw/zinc/87/44/82/385874482.db2.gz XUCVZMZCBVAKGL-GKQMSVHHSA-N 1 2 223.276 0.558 20 0 BCADLO CN1CC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000272126314 385876853 /nfs/dbraw/zinc/87/68/53/385876853.db2.gz KBQJEYVBEGLXSF-UHFFFAOYSA-N 1 2 244.254 0.728 20 0 BCADLO CC(C)N1CC[C@@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000647940631 385878942 /nfs/dbraw/zinc/87/89/42/385878942.db2.gz MHCYIGYCDLTQHH-GFCCVEGCSA-N 1 2 248.330 0.708 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(C)(C(N)=O)C2)[nH+]1 ZINC000645291958 385878995 /nfs/dbraw/zinc/87/89/95/385878995.db2.gz HSYLDPYBFNMOIN-UHFFFAOYSA-N 1 2 245.286 0.578 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)C(C)(C)O)c[nH+]1 ZINC000272155326 385879688 /nfs/dbraw/zinc/87/96/88/385879688.db2.gz RWRMXCMSRGNLKL-UHFFFAOYSA-N 1 2 225.292 0.997 20 0 BCADLO CC(C)N1CC[C@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000647940632 385880601 /nfs/dbraw/zinc/88/06/01/385880601.db2.gz MHCYIGYCDLTQHH-LBPRGKRZSA-N 1 2 248.330 0.708 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000338031693 385883516 /nfs/dbraw/zinc/88/35/16/385883516.db2.gz WPUDFLWIOQBKEX-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000338031693 385883519 /nfs/dbraw/zinc/88/35/19/385883519.db2.gz WPUDFLWIOQBKEX-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO CC[C@H]([NH2+]CC1(C(=O)OC)CC1)C(=O)OC ZINC000336748092 385982311 /nfs/dbraw/zinc/98/23/11/385982311.db2.gz XTUSRWUNALLJSB-QMMMGPOBSA-N 1 2 229.276 0.481 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769719 385983481 /nfs/dbraw/zinc/98/34/81/385983481.db2.gz JHSBRBSHVKUGBQ-NTSWFWBYSA-N 1 2 228.214 0.105 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769719 385983487 /nfs/dbraw/zinc/98/34/87/385983487.db2.gz JHSBRBSHVKUGBQ-NTSWFWBYSA-N 1 2 228.214 0.105 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1(C)COC1 ZINC000272791454 385935839 /nfs/dbraw/zinc/93/58/39/385935839.db2.gz AWVHCOHCXCNOHP-UHFFFAOYSA-N 1 2 209.249 0.073 20 0 BCADLO Cc1nnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)o1 ZINC000342139598 385937508 /nfs/dbraw/zinc/93/75/08/385937508.db2.gz ZOQMDELNPKSGFO-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](O)C1 ZINC000285547075 385939075 /nfs/dbraw/zinc/93/90/75/385939075.db2.gz ICIBVRBLYHUZPR-ZETCQYMHSA-N 1 2 226.232 0.028 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](O)C1 ZINC000285547075 385939081 /nfs/dbraw/zinc/93/90/81/385939081.db2.gz ICIBVRBLYHUZPR-ZETCQYMHSA-N 1 2 226.232 0.028 20 0 BCADLO Cn1nncc1C[N@H+](C)Cc1cccnc1 ZINC000272891575 385948170 /nfs/dbraw/zinc/94/81/70/385948170.db2.gz ZKORGSCLAYFSSB-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nncc1C[N@@H+](C)Cc1cccnc1 ZINC000272891575 385948178 /nfs/dbraw/zinc/94/81/78/385948178.db2.gz ZKORGSCLAYFSSB-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)CN1C ZINC000335051880 385949935 /nfs/dbraw/zinc/94/99/35/385949935.db2.gz LPZGRDBXCBYXLC-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)CN1C ZINC000335051880 385949939 /nfs/dbraw/zinc/94/99/39/385949939.db2.gz LPZGRDBXCBYXLC-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCCC1(O)CCC1 ZINC000285701053 385956693 /nfs/dbraw/zinc/95/66/93/385956693.db2.gz QHRKVWOEALDUTJ-UHFFFAOYSA-N 1 2 237.303 0.682 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)Cc1ccoc1 ZINC000345094749 385993997 /nfs/dbraw/zinc/99/39/97/385993997.db2.gz XUBPKAQGFZEYLY-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)Cc1ccoc1 ZINC000345094749 385994009 /nfs/dbraw/zinc/99/40/09/385994009.db2.gz XUBPKAQGFZEYLY-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000338297889 385959562 /nfs/dbraw/zinc/95/95/62/385959562.db2.gz YZAAQQMAZGDGQD-RYUDHWBXSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000338297889 385959568 /nfs/dbraw/zinc/95/95/68/385959568.db2.gz YZAAQQMAZGDGQD-RYUDHWBXSA-N 1 2 239.315 0.845 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C[C@H](C)OC ZINC000285742821 385960909 /nfs/dbraw/zinc/96/09/09/385960909.db2.gz QMCBSOOHBWCAOO-QMMMGPOBSA-N 1 2 242.275 0.928 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C[C@H](C)OC ZINC000285742821 385960914 /nfs/dbraw/zinc/96/09/14/385960914.db2.gz QMCBSOOHBWCAOO-QMMMGPOBSA-N 1 2 242.275 0.928 20 0 BCADLO CO[C@H](C[NH+]1CCS(=O)CC1)C1CC1 ZINC000425401175 385964028 /nfs/dbraw/zinc/96/40/28/385964028.db2.gz GPMBZWUYNLBHFH-SNVBAGLBSA-N 1 2 217.334 0.476 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000336747440 385972645 /nfs/dbraw/zinc/97/26/45/385972645.db2.gz SCUYPZMWTBHCNY-SSDOTTSWSA-N 1 2 244.307 0.546 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)NCC[NH+]1CCOCC1 ZINC000335016426 385973194 /nfs/dbraw/zinc/97/31/94/385973194.db2.gz NVZVGVWYUFWTGP-PHIMTYICSA-N 1 2 241.335 0.511 20 0 BCADLO O=C1C[N@H+](CCc2c[nH]nn2)[C@H]2CCCC[C@@H]2N1 ZINC000647966693 385974271 /nfs/dbraw/zinc/97/42/71/385974271.db2.gz FAPKGSCGNMSOIP-QWRGUYRKSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2c[nH]nn2)[C@H]2CCCC[C@@H]2N1 ZINC000647966693 385974277 /nfs/dbraw/zinc/97/42/77/385974277.db2.gz FAPKGSCGNMSOIP-QWRGUYRKSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@H+](CCc2cn[nH]n2)[C@H]2CCCC[C@@H]2N1 ZINC000647966693 385974283 /nfs/dbraw/zinc/97/42/83/385974283.db2.gz FAPKGSCGNMSOIP-QWRGUYRKSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2cn[nH]n2)[C@H]2CCCC[C@@H]2N1 ZINC000647966693 385974288 /nfs/dbraw/zinc/97/42/88/385974288.db2.gz FAPKGSCGNMSOIP-QWRGUYRKSA-N 1 2 249.318 0.090 20 0 BCADLO C[N@H+]([C@@H](C(N)=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000340221915 385999585 /nfs/dbraw/zinc/99/95/85/385999585.db2.gz LLRSRDCUGCVPDR-GHMZBOCLSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@@H+]([C@@H](C(N)=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000340221915 385999592 /nfs/dbraw/zinc/99/95/92/385999592.db2.gz LLRSRDCUGCVPDR-GHMZBOCLSA-N 1 2 247.298 0.033 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340221831 386000294 /nfs/dbraw/zinc/00/02/94/386000294.db2.gz RIRSJPVKRXSQCR-RKDXNWHRSA-N 1 2 241.335 0.110 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340221831 386000300 /nfs/dbraw/zinc/00/03/00/386000300.db2.gz RIRSJPVKRXSQCR-RKDXNWHRSA-N 1 2 241.335 0.110 20 0 BCADLO C[S@](=O)CCC[NH2+]Cc1ccn[nH]1 ZINC000124227282 386002476 /nfs/dbraw/zinc/00/24/76/386002476.db2.gz YQHZYPJRSQHDIF-CYBMUJFWSA-N 1 2 201.295 0.268 20 0 BCADLO COC(C[N@H+](CCCO)Cc1ccno1)OC ZINC000273629752 386019664 /nfs/dbraw/zinc/01/96/64/386019664.db2.gz RYTOYWCBKBIKKY-UHFFFAOYSA-N 1 2 244.291 0.478 20 0 BCADLO COC(C[N@@H+](CCCO)Cc1ccno1)OC ZINC000273629752 386019669 /nfs/dbraw/zinc/01/96/69/386019669.db2.gz RYTOYWCBKBIKKY-UHFFFAOYSA-N 1 2 244.291 0.478 20 0 BCADLO CC[C@H](C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000113272074 386019800 /nfs/dbraw/zinc/01/98/00/386019800.db2.gz MSPYGRHJLQSVSX-JTQLQIEISA-N 1 2 234.365 0.610 20 0 BCADLO Cc1cc(N2CCSC[C@H]2CO)nc[nH+]1 ZINC000345192626 386056591 /nfs/dbraw/zinc/05/65/91/386056591.db2.gz VALGCUCDNACWSN-SECBINFHSA-N 1 2 225.317 0.699 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@@H]1c1[nH+]cc(C)n1C ZINC000414184953 386024435 /nfs/dbraw/zinc/02/44/35/386024435.db2.gz BYNKYYJVXGCPQS-JTQLQIEISA-N 1 2 236.319 0.957 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@H]1c1[nH+]cc(C)n1C ZINC000414184957 386024832 /nfs/dbraw/zinc/02/48/32/386024832.db2.gz BYNKYYJVXGCPQS-SNVBAGLBSA-N 1 2 236.319 0.957 20 0 BCADLO CN(CCC(N)=O)c1[nH+]c2ccccc2n1C ZINC000286341509 386026251 /nfs/dbraw/zinc/02/62/51/386026251.db2.gz JSNZWOQLHHAPFP-UHFFFAOYSA-N 1 2 232.287 0.885 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC1 ZINC000334421293 386026794 /nfs/dbraw/zinc/02/67/94/386026794.db2.gz CVPBOSUQMPDEHH-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCC1 ZINC000334421293 386026801 /nfs/dbraw/zinc/02/68/01/386026801.db2.gz CVPBOSUQMPDEHH-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226968 386032249 /nfs/dbraw/zinc/03/22/49/386032249.db2.gz VRUCZNQQOCJYPQ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226968 386032257 /nfs/dbraw/zinc/03/22/57/386032257.db2.gz VRUCZNQQOCJYPQ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO Cc1nocc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000295457898 386037768 /nfs/dbraw/zinc/03/77/68/386037768.db2.gz VQXFVBFAMSDGBI-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1nocc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000295457898 386037779 /nfs/dbraw/zinc/03/77/79/386037779.db2.gz VQXFVBFAMSDGBI-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO COC(=O)CCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000336771352 386038058 /nfs/dbraw/zinc/03/80/58/386038058.db2.gz UOJLNCONNRZPET-SNVBAGLBSA-N 1 2 229.276 0.481 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=CCCC1 ZINC000334436933 386042804 /nfs/dbraw/zinc/04/28/04/386042804.db2.gz QMWSLUVXQQBYFW-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=CCCC1 ZINC000334436933 386042806 /nfs/dbraw/zinc/04/28/06/386042806.db2.gz QMWSLUVXQQBYFW-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO CO[C@](C)(C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000309216485 385996023 /nfs/dbraw/zinc/99/60/23/385996023.db2.gz FQYSIYADPHJGAT-SNVBAGLBSA-N 1 2 225.296 0.115 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000345315749 386102807 /nfs/dbraw/zinc/10/28/07/386102807.db2.gz LTQJAABLJPQLNF-NWDGAFQWSA-N 1 2 240.347 0.871 20 0 BCADLO CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000334454405 386104026 /nfs/dbraw/zinc/10/40/26/386104026.db2.gz MZIALCKOPCGWCT-NXEZZACHSA-N 1 2 219.288 0.900 20 0 BCADLO O=C1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CCN1 ZINC000274482252 386108953 /nfs/dbraw/zinc/10/89/53/386108953.db2.gz CHEOKCUUMGNGMG-VXGBXAGGSA-N 1 2 216.284 0.974 20 0 BCADLO O=C1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CCN1 ZINC000274482252 386108958 /nfs/dbraw/zinc/10/89/58/386108958.db2.gz CHEOKCUUMGNGMG-VXGBXAGGSA-N 1 2 216.284 0.974 20 0 BCADLO OCC1(Nc2nc[nH+]c3c2OCCN3)CCC1 ZINC000647873101 386110919 /nfs/dbraw/zinc/11/09/19/386110919.db2.gz QUKREMNTGHGZOG-UHFFFAOYSA-N 1 2 236.275 0.608 20 0 BCADLO OCC1(Nc2[nH+]cnc3c2OCCN3)CCC1 ZINC000647873101 386110924 /nfs/dbraw/zinc/11/09/24/386110924.db2.gz QUKREMNTGHGZOG-UHFFFAOYSA-N 1 2 236.275 0.608 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)[C@H](C)CO ZINC000124660749 386118428 /nfs/dbraw/zinc/11/84/28/386118428.db2.gz HRFALCGWXXYCDC-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)[C@H](C)CO ZINC000124660749 386118441 /nfs/dbraw/zinc/11/84/41/386118441.db2.gz HRFALCGWXXYCDC-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@@H](C)CO ZINC000124665695 386118933 /nfs/dbraw/zinc/11/89/33/386118933.db2.gz VKVSGSOGEYLKOS-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@@H](C)CO ZINC000124665695 386118944 /nfs/dbraw/zinc/11/89/44/386118944.db2.gz VKVSGSOGEYLKOS-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CO1 ZINC000162245491 386059014 /nfs/dbraw/zinc/05/90/14/386059014.db2.gz WSQORNGNDXUKLF-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC000335072905 386065606 /nfs/dbraw/zinc/06/56/06/386065606.db2.gz LALUPGPDCFIPQF-QWRGUYRKSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC000335072905 386065614 /nfs/dbraw/zinc/06/56/14/386065614.db2.gz LALUPGPDCFIPQF-QWRGUYRKSA-N 1 2 224.304 0.328 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000338592343 386066752 /nfs/dbraw/zinc/06/67/52/386066752.db2.gz LKMRJNFMLUFNEW-QMMMGPOBSA-N 1 2 227.312 0.241 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000338592343 386066755 /nfs/dbraw/zinc/06/67/55/386066755.db2.gz LKMRJNFMLUFNEW-QMMMGPOBSA-N 1 2 227.312 0.241 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593660 386069452 /nfs/dbraw/zinc/06/94/52/386069452.db2.gz TVLGUSHULHEHKF-CABZTGNLSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593660 386069454 /nfs/dbraw/zinc/06/94/54/386069454.db2.gz TVLGUSHULHEHKF-CABZTGNLSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425444741 386076624 /nfs/dbraw/zinc/07/66/24/386076624.db2.gz NZSDRFZTCQRRKU-RKDXNWHRSA-N 1 2 241.291 0.726 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425444741 386076625 /nfs/dbraw/zinc/07/66/25/386076625.db2.gz NZSDRFZTCQRRKU-RKDXNWHRSA-N 1 2 241.291 0.726 20 0 BCADLO CC(C)[C@@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000286869577 386080545 /nfs/dbraw/zinc/08/05/45/386080545.db2.gz YUQOSUWHLLMARB-LLVKDONJSA-N 1 2 239.319 0.749 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338637985 386081061 /nfs/dbraw/zinc/08/10/61/386081061.db2.gz QWSFASKHEPJRRZ-DTWKUNHWSA-N 1 2 240.303 0.339 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627333 386083031 /nfs/dbraw/zinc/08/30/31/386083031.db2.gz WFFOQYDNGXZEJR-LLVKDONJSA-N 1 2 232.299 0.309 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338627333 386083035 /nfs/dbraw/zinc/08/30/35/386083035.db2.gz WFFOQYDNGXZEJR-LLVKDONJSA-N 1 2 232.299 0.309 20 0 BCADLO COC[C@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000234709405 386090936 /nfs/dbraw/zinc/09/09/36/386090936.db2.gz ODUIVFJRPAEBCM-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000234709405 386090942 /nfs/dbraw/zinc/09/09/42/386090942.db2.gz ODUIVFJRPAEBCM-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000425453460 386095347 /nfs/dbraw/zinc/09/53/47/386095347.db2.gz ZAVHRNYVJCIZCE-BDAKNGLRSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000425453460 386095351 /nfs/dbraw/zinc/09/53/51/386095351.db2.gz ZAVHRNYVJCIZCE-BDAKNGLRSA-N 1 2 210.281 0.426 20 0 BCADLO CCN(CCO)c1cc(N2CCCC2)[nH+]cn1 ZINC000287137928 386097183 /nfs/dbraw/zinc/09/71/83/386097183.db2.gz XDGJKKHFAVKZSE-UHFFFAOYSA-N 1 2 236.319 0.895 20 0 BCADLO CCN(CCO)c1cc(N2CCCC2)nc[nH+]1 ZINC000287137928 386097186 /nfs/dbraw/zinc/09/71/86/386097186.db2.gz XDGJKKHFAVKZSE-UHFFFAOYSA-N 1 2 236.319 0.895 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cncc(F)c1 ZINC000274401151 386099819 /nfs/dbraw/zinc/09/98/19/386099819.db2.gz XXUKLCHXSRLBHZ-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cncc(F)c1 ZINC000274401151 386099824 /nfs/dbraw/zinc/09/98/24/386099824.db2.gz XXUKLCHXSRLBHZ-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CC(C(C)(C)O)C1 ZINC000335149920 386144120 /nfs/dbraw/zinc/14/41/20/386144120.db2.gz JUKOGTXFVLBSQA-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(O)CCC1 ZINC000274747340 386144579 /nfs/dbraw/zinc/14/45/79/386144579.db2.gz OQPSZBMJLZRBLR-SECBINFHSA-N 1 2 223.276 0.303 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CC1=CCCOC1 ZINC000190094808 386145933 /nfs/dbraw/zinc/14/59/33/386145933.db2.gz SXAXXPAUVFWVQI-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CC1=CCCOC1 ZINC000190094808 386145939 /nfs/dbraw/zinc/14/59/39/386145939.db2.gz SXAXXPAUVFWVQI-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CCCO1 ZINC000310152171 386149418 /nfs/dbraw/zinc/14/94/18/386149418.db2.gz HSKZCTYGLHXGIA-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CCCO1 ZINC000310152171 386149419 /nfs/dbraw/zinc/14/94/19/386149419.db2.gz HSKZCTYGLHXGIA-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CC(C)(C)[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288366966 386189779 /nfs/dbraw/zinc/18/97/79/386189779.db2.gz KSXORKMLNKXRAB-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1nnc(NCCC[NH+]2CCOCC2)s1 ZINC000077165053 386151640 /nfs/dbraw/zinc/15/16/40/386151640.db2.gz BCHQLQBKNXNOTE-UHFFFAOYSA-N 1 2 242.348 0.981 20 0 BCADLO Cc1ccc([C@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000296206828 386152011 /nfs/dbraw/zinc/15/20/11/386152011.db2.gz NCHVJUFMSOXZJL-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccc([C@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000296206828 386152017 /nfs/dbraw/zinc/15/20/17/386152017.db2.gz NCHVJUFMSOXZJL-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO CC(C)c1[nH+]ccn1CCC(=O)Nc1nn[nH]n1 ZINC000346175559 386160919 /nfs/dbraw/zinc/16/09/19/386160919.db2.gz APQSCJIDUJDCKY-UHFFFAOYSA-N 1 2 249.278 0.548 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCO1 ZINC000334477276 386161482 /nfs/dbraw/zinc/16/14/82/386161482.db2.gz PWFSFEJVWNQAIT-SNVBAGLBSA-N 1 2 235.287 1.000 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)CCN1CCO ZINC000190242921 386162750 /nfs/dbraw/zinc/16/27/50/386162750.db2.gz ZPPCDZNWYNRKIT-LLVKDONJSA-N 1 2 224.304 0.778 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)CCN1CCO ZINC000190242921 386162754 /nfs/dbraw/zinc/16/27/54/386162754.db2.gz ZPPCDZNWYNRKIT-LLVKDONJSA-N 1 2 224.304 0.778 20 0 BCADLO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000425487172 386165617 /nfs/dbraw/zinc/16/56/17/386165617.db2.gz VOJAXEYQVVWFRC-VIFPVBQESA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000425487172 386165620 /nfs/dbraw/zinc/16/56/20/386165620.db2.gz VOJAXEYQVVWFRC-VIFPVBQESA-N 1 2 239.323 0.282 20 0 BCADLO Cc1nc(N2C[C@@H](C)OC(C)(C)C2)nc(N)[nH+]1 ZINC000310219818 386166321 /nfs/dbraw/zinc/16/63/21/386166321.db2.gz GTTHYRJNQFBLGV-SSDOTTSWSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC000310219818 386166326 /nfs/dbraw/zinc/16/63/26/386166326.db2.gz GTTHYRJNQFBLGV-SSDOTTSWSA-N 1 2 237.307 0.766 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccncc1 ZINC000130447117 386166434 /nfs/dbraw/zinc/16/64/34/386166434.db2.gz BISSQZUPQNJTPD-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccncc1 ZINC000130447117 386166440 /nfs/dbraw/zinc/16/64/40/386166440.db2.gz BISSQZUPQNJTPD-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO Cc1nc(N2C[C@H](C)OC(C)(C)C2)nc(N)[nH+]1 ZINC000310219822 386166595 /nfs/dbraw/zinc/16/65/95/386166595.db2.gz GTTHYRJNQFBLGV-ZETCQYMHSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC000310219822 386166598 /nfs/dbraw/zinc/16/65/98/386166598.db2.gz GTTHYRJNQFBLGV-ZETCQYMHSA-N 1 2 237.307 0.766 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000190382366 386167432 /nfs/dbraw/zinc/16/74/32/386167432.db2.gz NFWHCRXSJUYFSB-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000190382366 386167435 /nfs/dbraw/zinc/16/74/35/386167435.db2.gz NFWHCRXSJUYFSB-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnc[nH]1 ZINC000263697728 386167563 /nfs/dbraw/zinc/16/75/63/386167563.db2.gz RQBWEWWFBSSECC-MRVPVSSYSA-N 1 2 219.248 0.425 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnc[nH]1 ZINC000263697731 386167608 /nfs/dbraw/zinc/16/76/08/386167608.db2.gz RQBWEWWFBSSECC-QMMMGPOBSA-N 1 2 219.248 0.425 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000263784957 386174464 /nfs/dbraw/zinc/17/44/64/386174464.db2.gz HLPPGZHCGYVRFB-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000263784957 386174471 /nfs/dbraw/zinc/17/44/71/386174471.db2.gz HLPPGZHCGYVRFB-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO COC(=O)C1([NH2+]CC[C@H](C)O)CCOCC1 ZINC000425493569 386175988 /nfs/dbraw/zinc/17/59/88/386175988.db2.gz PDPBDDCSJFGEMZ-VIFPVBQESA-N 1 2 231.292 0.069 20 0 BCADLO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCNC(=O)C1 ZINC000296554502 386181172 /nfs/dbraw/zinc/18/11/72/386181172.db2.gz PAZXTFPNDHURHT-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO CO[C@@H](Cc1ccccc1)C[N@H+]1CCNC(=O)C1 ZINC000296554502 386181176 /nfs/dbraw/zinc/18/11/76/386181176.db2.gz PAZXTFPNDHURHT-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO CCCCN(CC)C(=O)C[N@H+](C)CC(N)=O ZINC000338939384 386188927 /nfs/dbraw/zinc/18/89/27/386188927.db2.gz KTRFYVQXTNTJNG-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO CCCCN(CC)C(=O)C[N@@H+](C)CC(N)=O ZINC000338939384 386188933 /nfs/dbraw/zinc/18/89/33/386188933.db2.gz KTRFYVQXTNTJNG-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1[nH+]ccn1CC ZINC000076418288 386126484 /nfs/dbraw/zinc/12/64/84/386126484.db2.gz SCQXRHOLPNPEBC-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000345865251 386135596 /nfs/dbraw/zinc/13/55/96/386135596.db2.gz ZLHQSPOQOHZUBK-MNOVXSKESA-N 1 2 236.319 0.722 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)C1CC(O)C1 ZINC000408400962 386142052 /nfs/dbraw/zinc/14/20/52/386142052.db2.gz ZDNVAEPOPGONOR-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)C1CC(O)C1 ZINC000408400962 386142057 /nfs/dbraw/zinc/14/20/57/386142057.db2.gz ZDNVAEPOPGONOR-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000289079899 386259383 /nfs/dbraw/zinc/25/93/83/386259383.db2.gz KIQLCKURVLAZMM-SNVBAGLBSA-N 1 2 236.319 0.568 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000289079899 386259387 /nfs/dbraw/zinc/25/93/87/386259387.db2.gz KIQLCKURVLAZMM-SNVBAGLBSA-N 1 2 236.319 0.568 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000264017858 386202220 /nfs/dbraw/zinc/20/22/20/386202220.db2.gz LCNOPAWVOYEXLE-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000264017858 386202224 /nfs/dbraw/zinc/20/22/24/386202224.db2.gz LCNOPAWVOYEXLE-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO CC[NH+](CC)Cc1nc(Cn2cncn2)no1 ZINC000347050607 386205284 /nfs/dbraw/zinc/20/52/84/386205284.db2.gz OKUJDMSCSZSSDG-UHFFFAOYSA-N 1 2 236.279 0.551 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCC(=O)N(C)C)n1 ZINC000336742510 386206125 /nfs/dbraw/zinc/20/61/25/386206125.db2.gz OGTDFBPSNIWCPD-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO O=C1C[N@H+](CCOC2CCC2)CCN1C1CC1 ZINC000347060422 386209508 /nfs/dbraw/zinc/20/95/08/386209508.db2.gz UZTLNCPSABFUEN-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO O=C1C[N@@H+](CCOC2CCC2)CCN1C1CC1 ZINC000347060422 386209511 /nfs/dbraw/zinc/20/95/11/386209511.db2.gz UZTLNCPSABFUEN-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CC(F)(F)C(=O)NCCn1cc[nH+]c1 ZINC000288499036 386209896 /nfs/dbraw/zinc/20/98/96/386209896.db2.gz HVMLQPHSZSLLJP-UHFFFAOYSA-N 1 2 203.192 0.655 20 0 BCADLO CO[C@@H](C)C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358604 386212102 /nfs/dbraw/zinc/21/21/02/386212102.db2.gz GWJUBQJBWSZVBL-FXBDTBDDSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@@H](C)C[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358604 386212106 /nfs/dbraw/zinc/21/21/06/386212106.db2.gz GWJUBQJBWSZVBL-FXBDTBDDSA-N 1 2 241.291 0.521 20 0 BCADLO CCCNS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000408358140 386213297 /nfs/dbraw/zinc/21/32/97/386213297.db2.gz MYPQHCNMGTYQLA-UHFFFAOYSA-N 1 2 247.364 0.011 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1cnns1 ZINC000296963683 386214619 /nfs/dbraw/zinc/21/46/19/386214619.db2.gz CTYJGKZLRPFNMI-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1cnns1 ZINC000296963683 386214627 /nfs/dbraw/zinc/21/46/27/386214627.db2.gz CTYJGKZLRPFNMI-UHFFFAOYSA-N 1 2 229.305 0.923 20 0 BCADLO Cc1ccc2nc(C[NH+]3C[C@H](O)[C@@H](O)C3)cn2c1 ZINC000235997549 386215411 /nfs/dbraw/zinc/21/54/11/386215411.db2.gz ONOYLPXEAIRQNM-RYUDHWBXSA-N 1 2 247.298 0.180 20 0 BCADLO COCC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264198624 386215715 /nfs/dbraw/zinc/21/57/15/386215715.db2.gz PPXFBDOSQDJALH-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO COC[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000264227837 386217228 /nfs/dbraw/zinc/21/72/28/386217228.db2.gz VIOMHOMHNVXINP-VIFPVBQESA-N 1 2 240.307 0.502 20 0 BCADLO Cc1nc(N2CC[C@H](CO)C2)nc(N(C)C)[nH+]1 ZINC000408359359 386217435 /nfs/dbraw/zinc/21/74/35/386217435.db2.gz UGUPCQVXYYHYRI-VIFPVBQESA-N 1 2 237.307 0.065 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@H](CO)C2)[nH+]1 ZINC000408359359 386217440 /nfs/dbraw/zinc/21/74/40/386217440.db2.gz UGUPCQVXYYHYRI-VIFPVBQESA-N 1 2 237.307 0.065 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347024415 386218168 /nfs/dbraw/zinc/21/81/68/386218168.db2.gz RAZYDTRIBLLRAB-BDAKNGLRSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347024415 386218173 /nfs/dbraw/zinc/21/81/73/386218173.db2.gz RAZYDTRIBLLRAB-BDAKNGLRSA-N 1 2 239.323 0.364 20 0 BCADLO COCC[N@H+](Cc1ccoc1C)[C@H](C)C(N)=O ZINC000414381037 386218908 /nfs/dbraw/zinc/21/89/08/386218908.db2.gz HOLUNMQAKPMXPJ-SECBINFHSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1ccoc1C)[C@H](C)C(N)=O ZINC000414381037 386218909 /nfs/dbraw/zinc/21/89/09/386218909.db2.gz HOLUNMQAKPMXPJ-SECBINFHSA-N 1 2 240.303 0.910 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C2CC2)nc1 ZINC000336649501 386260050 /nfs/dbraw/zinc/26/00/50/386260050.db2.gz RDGDDGQYZWVNHS-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C2CC2)nc1 ZINC000336649501 386260055 /nfs/dbraw/zinc/26/00/55/386260055.db2.gz RDGDDGQYZWVNHS-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO CO[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000275993817 386259967 /nfs/dbraw/zinc/25/99/67/386259967.db2.gz NGUKENFJQMQELO-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264323388 386227337 /nfs/dbraw/zinc/22/73/37/386227337.db2.gz QWTLXKWLWMOAAX-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000275786709 386238609 /nfs/dbraw/zinc/23/86/09/386238609.db2.gz DAVKZCDVJGHAGE-MWLCHTKSSA-N 1 2 226.276 0.910 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000275786709 386238614 /nfs/dbraw/zinc/23/86/14/386238614.db2.gz DAVKZCDVJGHAGE-MWLCHTKSSA-N 1 2 226.276 0.910 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1=COCCC1 ZINC000264458136 386239887 /nfs/dbraw/zinc/23/98/87/386239887.db2.gz DOZWIVLIEJZPOL-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000336644011 386245240 /nfs/dbraw/zinc/24/52/40/386245240.db2.gz FGEDETBTOYOLBB-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000336644011 386245243 /nfs/dbraw/zinc/24/52/43/386245243.db2.gz FGEDETBTOYOLBB-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO C[C@H](C(=O)NC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000647932632 386246887 /nfs/dbraw/zinc/24/68/87/386246887.db2.gz KFPHTJFKKJNTEU-MRVPVSSYSA-N 1 2 234.303 0.435 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000647932830 386249104 /nfs/dbraw/zinc/24/91/04/386249104.db2.gz RRZIUFPKAJLBRU-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCc2nc[nH]c2C1 ZINC000647932830 386249106 /nfs/dbraw/zinc/24/91/06/386249106.db2.gz RRZIUFPKAJLBRU-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO COC(=O)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000264604805 386252778 /nfs/dbraw/zinc/25/27/78/386252778.db2.gz YWUNQXMOIQXWIF-UHFFFAOYSA-N 1 2 247.254 0.579 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000339129320 386253806 /nfs/dbraw/zinc/25/38/06/386253806.db2.gz UFQCQNUFSGUUSP-IUCAKERBSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@H](O)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000339129320 386253809 /nfs/dbraw/zinc/25/38/09/386253809.db2.gz UFQCQNUFSGUUSP-IUCAKERBSA-N 1 2 210.281 0.426 20 0 BCADLO C[NH+](C)CC(=O)Oc1cccc2c1OCCO2 ZINC000275958595 386254730 /nfs/dbraw/zinc/25/47/30/386254730.db2.gz HXCZOXGOKZBZDH-UHFFFAOYSA-N 1 2 237.255 0.925 20 0 BCADLO CC[N@H+](CCOCCO)[C@@H](C)c1nncn1C ZINC000347187882 386255421 /nfs/dbraw/zinc/25/54/21/386255421.db2.gz QGEADPPNXXLURG-JTQLQIEISA-N 1 2 242.323 0.207 20 0 BCADLO CC[N@@H+](CCOCCO)[C@@H](C)c1nncn1C ZINC000347187882 386255424 /nfs/dbraw/zinc/25/54/24/386255424.db2.gz QGEADPPNXXLURG-JTQLQIEISA-N 1 2 242.323 0.207 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCOC1 ZINC000263925930 386193768 /nfs/dbraw/zinc/19/37/68/386193768.db2.gz VPUPONQBEPLHDC-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H](O)C(C)C)no1 ZINC000340282887 386196407 /nfs/dbraw/zinc/19/64/07/386196407.db2.gz YERPILYTQAOJPT-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H](O)C(C)C)no1 ZINC000340282887 386196412 /nfs/dbraw/zinc/19/64/12/386196412.db2.gz YERPILYTQAOJPT-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)O ZINC000191017460 386198196 /nfs/dbraw/zinc/19/81/96/386198196.db2.gz QLMQXCNQXKCFGZ-IVZWLZJFSA-N 1 2 217.309 0.933 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccon2)C1 ZINC000275306509 386198545 /nfs/dbraw/zinc/19/85/45/386198545.db2.gz ZKYSDFVNEQXYHR-UHFFFAOYSA-N 1 2 209.249 0.497 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131257217 386199781 /nfs/dbraw/zinc/19/97/81/386199781.db2.gz DSYYDJQHWFGHGG-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131257217 386199786 /nfs/dbraw/zinc/19/97/86/386199786.db2.gz DSYYDJQHWFGHGG-UHFFFAOYSA-N 1 2 243.351 0.487 20 0 BCADLO C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000339188111 386281426 /nfs/dbraw/zinc/28/14/26/386281426.db2.gz DRMYIZVTYUGESD-YPMHNXCESA-N 1 2 248.326 0.758 20 0 BCADLO C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000339188111 386281432 /nfs/dbraw/zinc/28/14/32/386281432.db2.gz DRMYIZVTYUGESD-YPMHNXCESA-N 1 2 248.326 0.758 20 0 BCADLO C[C@H](O)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000339187564 386281671 /nfs/dbraw/zinc/28/16/71/386281671.db2.gz DRMYIZVTYUGESD-WCQYABFASA-N 1 2 248.326 0.758 20 0 BCADLO C[C@H](O)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000339187564 386281674 /nfs/dbraw/zinc/28/16/74/386281674.db2.gz DRMYIZVTYUGESD-WCQYABFASA-N 1 2 248.326 0.758 20 0 BCADLO CO[C@H]1C[NH+](Cc2ncc(C)o2)C[C@@H]1OC ZINC000336664837 386286907 /nfs/dbraw/zinc/28/69/07/386286907.db2.gz HNBCJPQMNBWYNO-UWVGGRQHSA-N 1 2 226.276 0.829 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](CO)C2)c[nH+]1 ZINC000298321609 386324347 /nfs/dbraw/zinc/32/43/47/386324347.db2.gz NIZWDYZUKTZVMA-NXEZZACHSA-N 1 2 237.303 0.999 20 0 BCADLO COC[C@H](C)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336665741 386290074 /nfs/dbraw/zinc/29/00/74/386290074.db2.gz KKNMXFJMDGOFST-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO COC[C@H](C)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336665741 386290080 /nfs/dbraw/zinc/29/00/80/386290080.db2.gz KKNMXFJMDGOFST-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000265272073 386324517 /nfs/dbraw/zinc/32/45/17/386324517.db2.gz GWCYHPJEWWRTBB-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)C(=O)NC1CC1 ZINC000265284930 386324727 /nfs/dbraw/zinc/32/47/27/386324727.db2.gz YRUDHKSUGIWVKR-UHFFFAOYSA-N 1 2 248.286 0.365 20 0 BCADLO Cc1cn2cc(NC(=O)[C@@H](C)O)ccc2[nH+]1 ZINC000276314471 386302920 /nfs/dbraw/zinc/30/29/20/386302920.db2.gz FZMPREYQCLDBPZ-MRVPVSSYSA-N 1 2 219.244 0.962 20 0 BCADLO O=C1NCCC[C@@H]1[NH+]1CCN(C2CC2)CC1 ZINC000336672516 386303633 /nfs/dbraw/zinc/30/36/33/386303633.db2.gz KKSDUEZZBPSYBR-NSHDSACASA-N 1 2 223.320 0.045 20 0 BCADLO CCSCC[N@H+](C)Cc1nnnn1C ZINC000336674860 386309894 /nfs/dbraw/zinc/30/98/94/386309894.db2.gz SCXAVUPRCZNRSA-UHFFFAOYSA-N 1 2 215.326 0.395 20 0 BCADLO CCSCC[N@@H+](C)Cc1nnnn1C ZINC000336674860 386309897 /nfs/dbraw/zinc/30/98/97/386309897.db2.gz SCXAVUPRCZNRSA-UHFFFAOYSA-N 1 2 215.326 0.395 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)OC(C)(C)C)c[nH+]1 ZINC000265148696 386310654 /nfs/dbraw/zinc/31/06/54/386310654.db2.gz AQQIZEKPHVIJOD-UHFFFAOYSA-N 1 2 239.275 0.790 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCNC(=O)C1(C)C ZINC000276361140 386310859 /nfs/dbraw/zinc/31/08/59/386310859.db2.gz YRGHEUCJAWMUDT-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO Cn1nccc1CC[N@H+]1CCNC(=O)C1(C)C ZINC000276361140 386310862 /nfs/dbraw/zinc/31/08/62/386310862.db2.gz YRGHEUCJAWMUDT-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCN(C)CC1(C)C ZINC000334481988 386311223 /nfs/dbraw/zinc/31/12/23/386311223.db2.gz XJQIZDBAPRPWPX-UHFFFAOYSA-N 1 2 213.325 0.101 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCN(C)CC1(C)C ZINC000334481988 386311230 /nfs/dbraw/zinc/31/12/30/386311230.db2.gz XJQIZDBAPRPWPX-UHFFFAOYSA-N 1 2 213.325 0.101 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@@H]1CCCNC1=O ZINC000336669890 386311935 /nfs/dbraw/zinc/31/19/35/386311935.db2.gz IBPSPVPRLMMXFO-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@@H]1CCCNC1=O ZINC000336669890 386311937 /nfs/dbraw/zinc/31/19/37/386311937.db2.gz IBPSPVPRLMMXFO-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOCC12CC2 ZINC000334483075 386314108 /nfs/dbraw/zinc/31/41/08/386314108.db2.gz XRTIMSXEQFJEQO-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOCC12CC2 ZINC000334483075 386314112 /nfs/dbraw/zinc/31/41/12/386314112.db2.gz XRTIMSXEQFJEQO-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000289518653 386320753 /nfs/dbraw/zinc/32/07/53/386320753.db2.gz AZINWIWEGWYBLU-VXNVDRBHSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000289518653 386320758 /nfs/dbraw/zinc/32/07/58/386320758.db2.gz AZINWIWEGWYBLU-VXNVDRBHSA-N 1 2 239.275 0.934 20 0 BCADLO C[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)CS(C)(=O)=O ZINC000336675130 386321526 /nfs/dbraw/zinc/32/15/26/386321526.db2.gz MCETWPGHYBZDIV-MXWKQRLJSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CS(C)(=O)=O ZINC000336675130 386321530 /nfs/dbraw/zinc/32/15/30/386321530.db2.gz MCETWPGHYBZDIV-MXWKQRLJSA-N 1 2 247.360 0.530 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(=O)OC(C)C)C1 ZINC000425523534 386325412 /nfs/dbraw/zinc/32/54/12/386325412.db2.gz ZJQGWKSPFGSETR-UHFFFAOYSA-N 1 2 242.319 0.840 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000425523534 386325415 /nfs/dbraw/zinc/32/54/15/386325415.db2.gz ZJQGWKSPFGSETR-UHFFFAOYSA-N 1 2 242.319 0.840 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000645394415 386262483 /nfs/dbraw/zinc/26/24/83/386262483.db2.gz FPAWNWQZWXMCPO-MRVPVSSYSA-N 1 2 247.302 0.675 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000645394415 386262484 /nfs/dbraw/zinc/26/24/84/386262484.db2.gz FPAWNWQZWXMCPO-MRVPVSSYSA-N 1 2 247.302 0.675 20 0 BCADLO CCc1nc(N2CN(C)C(=O)[C@@H]2C)cc(C)[nH+]1 ZINC000645394361 386262674 /nfs/dbraw/zinc/26/26/74/386262674.db2.gz DFZASNOYYARSDV-VIFPVBQESA-N 1 2 234.303 0.972 20 0 BCADLO CS(=O)(=O)CC1(C[NH+]2CCSCC2)CC1 ZINC000336649953 386263332 /nfs/dbraw/zinc/26/33/32/386263332.db2.gz SBCXTMSSZYQRBG-UHFFFAOYSA-N 1 2 249.401 0.860 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)cnn1 ZINC000276023573 386263400 /nfs/dbraw/zinc/26/34/00/386263400.db2.gz CSTCTXMLJSHJMP-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000289136522 386265042 /nfs/dbraw/zinc/26/50/42/386265042.db2.gz PALGDZADASYESN-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000289136522 386265045 /nfs/dbraw/zinc/26/50/45/386265045.db2.gz PALGDZADASYESN-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO CC(C)c1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000232772452 386265421 /nfs/dbraw/zinc/26/54/21/386265421.db2.gz APYNULNYIBWCDY-UWVGGRQHSA-N 1 2 242.344 0.804 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCOC2)nn1C ZINC000336651282 386266818 /nfs/dbraw/zinc/26/68/18/386266818.db2.gz UYQUTCZLLQSMED-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1C ZINC000336651282 386266821 /nfs/dbraw/zinc/26/68/21/386266821.db2.gz UYQUTCZLLQSMED-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)cnn1 ZINC000276071372 386269106 /nfs/dbraw/zinc/26/91/06/386269106.db2.gz MFHMDDCKUJTSRL-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N(CCO)C1CC1 ZINC000339162410 386270890 /nfs/dbraw/zinc/27/08/90/386270890.db2.gz BICYFIBLCULTEA-UHFFFAOYSA-N 1 2 237.303 0.336 20 0 BCADLO Cc1ncc(C(=O)NCCNc2cccc[nH+]2)[nH]1 ZINC000264846814 386274543 /nfs/dbraw/zinc/27/45/43/386274543.db2.gz MEVVXHLFBWVTGH-UHFFFAOYSA-N 1 2 245.286 0.955 20 0 BCADLO Cc1[nH]c(C(=O)NCCCC(=O)N(C)C)c[nH+]1 ZINC000264848873 386276633 /nfs/dbraw/zinc/27/66/33/386276633.db2.gz MQWMZERAHAYCGJ-UHFFFAOYSA-N 1 2 238.291 0.316 20 0 BCADLO COC(=O)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264869893 386277874 /nfs/dbraw/zinc/27/78/74/386277874.db2.gz QYIVMOFLTZCEHE-UHFFFAOYSA-N 1 2 225.248 0.401 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CSC[NH2+]2)s1 ZINC000133662041 386342306 /nfs/dbraw/zinc/34/23/06/386342306.db2.gz TVPZVIDCDUASJD-RXMQYKEDSA-N 1 2 230.318 0.448 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1nnc(C)n1C ZINC000339288617 386342500 /nfs/dbraw/zinc/34/25/00/386342500.db2.gz DMVVBRXAHSMSKL-SECBINFHSA-N 1 2 210.281 0.344 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1nnc(C)n1C ZINC000339288617 386342505 /nfs/dbraw/zinc/34/25/05/386342505.db2.gz DMVVBRXAHSMSKL-SECBINFHSA-N 1 2 210.281 0.344 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000265491280 386344184 /nfs/dbraw/zinc/34/41/84/386344184.db2.gz CICBEIZNTAKOOQ-LYGAQUJYSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC000276577101 386345866 /nfs/dbraw/zinc/34/58/66/386345866.db2.gz LCRUFBVYCMFVBK-OKWQPMOJSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)CN1CC[N@H+](CCCCO)CC1=O ZINC000187100485 386354070 /nfs/dbraw/zinc/35/40/70/386354070.db2.gz ISRBFFKTLQJBTA-UHFFFAOYSA-N 1 2 228.336 0.559 20 0 BCADLO CC(C)CN1CC[N@@H+](CCCCO)CC1=O ZINC000187100485 386354073 /nfs/dbraw/zinc/35/40/73/386354073.db2.gz ISRBFFKTLQJBTA-UHFFFAOYSA-N 1 2 228.336 0.559 20 0 BCADLO CC[C@@H](C(=O)NCCn1cc[nH+]c1)C(=O)OC ZINC000276623972 386355128 /nfs/dbraw/zinc/35/51/28/386355128.db2.gz ULFHXEYTWAWXQU-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO C[C@H](O)CNc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000298795463 386386767 /nfs/dbraw/zinc/38/67/67/386386767.db2.gz FBFUJMHLNPEGGB-XHNCKOQMSA-N 1 2 238.291 0.205 20 0 BCADLO CC[C@@H](COC)NC(=O)CCn1cc[nH+]c1 ZINC000265634549 386355878 /nfs/dbraw/zinc/35/58/78/386355878.db2.gz GBNKINAVRCZBLY-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](COC)NC(=O)CCc1c[nH+]cn1C ZINC000276635736 386357000 /nfs/dbraw/zinc/35/70/00/386357000.db2.gz UFVPGWSWZLHBAI-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO CC[C@H](COC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276630827 386357483 /nfs/dbraw/zinc/35/74/83/386357483.db2.gz SQRQXLRFVHOOPF-XNPJLODASA-N 1 2 223.276 0.964 20 0 BCADLO Cc1[nH]ncc1CNC(=O)/C=C/C[NH+](C)C ZINC000265655104 386357899 /nfs/dbraw/zinc/35/78/99/386357899.db2.gz PKLLHEGXCBUTHG-SNAWJCMRSA-N 1 2 222.292 0.452 20 0 BCADLO C[C@H](O)CNc1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000298795463 386386777 /nfs/dbraw/zinc/38/67/77/386386777.db2.gz FBFUJMHLNPEGGB-XHNCKOQMSA-N 1 2 238.291 0.205 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ncc(C)cn2)C[C@H]1OC ZINC000336691082 386360635 /nfs/dbraw/zinc/36/06/35/386360635.db2.gz DNCLCQQADCGFKD-GHMZBOCLSA-N 1 2 237.303 0.631 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C2)cc(C)c1O ZINC000298570224 386360796 /nfs/dbraw/zinc/36/07/96/386360796.db2.gz BXOKNFYFPAOVIJ-UHFFFAOYSA-N 1 2 234.299 0.941 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C2)cc(C)c1O ZINC000298570224 386360801 /nfs/dbraw/zinc/36/08/01/386360801.db2.gz BXOKNFYFPAOVIJ-UHFFFAOYSA-N 1 2 234.299 0.941 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2=O)cn1 ZINC000336693861 386368029 /nfs/dbraw/zinc/36/80/29/386368029.db2.gz BWBFURODRWKWQK-GFCCVEGCSA-N 1 2 248.330 0.615 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)cn1 ZINC000336693861 386368034 /nfs/dbraw/zinc/36/80/34/386368034.db2.gz BWBFURODRWKWQK-GFCCVEGCSA-N 1 2 248.330 0.615 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC1 ZINC000276732598 386369982 /nfs/dbraw/zinc/36/99/82/386369982.db2.gz TZWSQNIIAURPTB-OWOJBTEDSA-N 1 2 207.233 0.282 20 0 BCADLO CC(C)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000339324578 386371040 /nfs/dbraw/zinc/37/10/40/386371040.db2.gz ATHJYVUSCJYPFO-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO CSCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265808336 386372110 /nfs/dbraw/zinc/37/21/10/386372110.db2.gz ZACZZVOFMFXHLJ-VIFPVBQESA-N 1 2 227.333 0.998 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000347387105 386377082 /nfs/dbraw/zinc/37/70/82/386377082.db2.gz RCNBHUPBELEFGH-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000347387105 386377086 /nfs/dbraw/zinc/37/70/86/386377086.db2.gz RCNBHUPBELEFGH-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347387669 386377533 /nfs/dbraw/zinc/37/75/33/386377533.db2.gz YVQVYZWCLJFUNX-KOLCDFICSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347387669 386377538 /nfs/dbraw/zinc/37/75/38/386377538.db2.gz YVQVYZWCLJFUNX-KOLCDFICSA-N 1 2 233.283 0.734 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nc(=O)[nH][nH]3)C2)c1 ZINC000289952845 386377566 /nfs/dbraw/zinc/37/75/66/386377566.db2.gz QGTQSHVWDHFIPU-SECBINFHSA-N 1 2 248.290 0.050 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(=O)[nH][nH]3)C2)c1 ZINC000289952845 386377571 /nfs/dbraw/zinc/37/75/71/386377571.db2.gz QGTQSHVWDHFIPU-SECBINFHSA-N 1 2 248.290 0.050 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000276816699 386380542 /nfs/dbraw/zinc/38/05/42/386380542.db2.gz CTWUGGRUBQEJAJ-RKDXNWHRSA-N 1 2 223.276 0.609 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cccc(F)c1 ZINC000339360533 386383256 /nfs/dbraw/zinc/38/32/56/386383256.db2.gz SLLRMGHJNWZSNY-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cccc(F)c1 ZINC000339360533 386383259 /nfs/dbraw/zinc/38/32/59/386383259.db2.gz SLLRMGHJNWZSNY-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265944158 386383521 /nfs/dbraw/zinc/38/35/21/386383521.db2.gz LWKHTESRORPSOE-IUCAKERBSA-N 1 2 240.307 0.236 20 0 BCADLO COCC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000347397867 386385322 /nfs/dbraw/zinc/38/53/22/386385322.db2.gz ZPMDSWQZGATJHC-UHFFFAOYSA-N 1 2 210.281 0.760 20 0 BCADLO COCC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000347397867 386385324 /nfs/dbraw/zinc/38/53/24/386385324.db2.gz ZPMDSWQZGATJHC-UHFFFAOYSA-N 1 2 210.281 0.760 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347326949 386325567 /nfs/dbraw/zinc/32/55/67/386325567.db2.gz FOJABHVYRBDZLI-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347326949 386325572 /nfs/dbraw/zinc/32/55/72/386325572.db2.gz FOJABHVYRBDZLI-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(C)(C)O)C1 ZINC000425523664 386326365 /nfs/dbraw/zinc/32/63/65/386326365.db2.gz ZMHRFRHPDHWNRP-UHFFFAOYSA-N 1 2 214.309 0.659 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(C)(C)O)C1 ZINC000425523664 386326370 /nfs/dbraw/zinc/32/63/70/386326370.db2.gz ZMHRFRHPDHWNRP-UHFFFAOYSA-N 1 2 214.309 0.659 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cncc(C)c1 ZINC000276474067 386330443 /nfs/dbraw/zinc/33/04/43/386330443.db2.gz ZHUHZIQKAWXBEO-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cncc(C)c1 ZINC000276474067 386330446 /nfs/dbraw/zinc/33/04/46/386330446.db2.gz ZHUHZIQKAWXBEO-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CCc1cc(N2CN(C)C(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000645396488 386330872 /nfs/dbraw/zinc/33/08/72/386330872.db2.gz FPQPBQLZIKVTHG-QMMMGPOBSA-N 1 2 234.303 0.972 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000276512785 386337358 /nfs/dbraw/zinc/33/73/58/386337358.db2.gz KVJMEAROAPMKGQ-VWYCJHECSA-N 1 2 237.303 0.673 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000276512783 386337904 /nfs/dbraw/zinc/33/79/04/386337904.db2.gz KVJMEAROAPMKGQ-OUAUKWLOSA-N 1 2 237.303 0.673 20 0 BCADLO CCN(C)C(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000276515623 386338415 /nfs/dbraw/zinc/33/84/15/386338415.db2.gz BORWQFXECMJNCQ-ZETCQYMHSA-N 1 2 238.291 0.315 20 0 BCADLO COC(=O)[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276522857 386339225 /nfs/dbraw/zinc/33/92/25/386339225.db2.gz CXUSWRYQBWEURS-YEZKRMTDSA-N 1 2 249.270 0.587 20 0 BCADLO COC[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000277472404 386437173 /nfs/dbraw/zinc/43/71/73/386437173.db2.gz PVLUVJFVPFMIHT-SNVBAGLBSA-N 1 2 239.319 0.846 20 0 BCADLO Cc1nc(CNC(=O)c2c[nH+]c(C)[nH]2)no1 ZINC000266453384 386437841 /nfs/dbraw/zinc/43/78/41/386437841.db2.gz OKGXNGDUPMORPJ-UHFFFAOYSA-N 1 2 221.220 0.340 20 0 BCADLO COC[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000277489428 386440415 /nfs/dbraw/zinc/44/04/15/386440415.db2.gz RBSGRMXXFRVEAI-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO COC[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000277489428 386440425 /nfs/dbraw/zinc/44/04/25/386440425.db2.gz RBSGRMXXFRVEAI-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@](C)(O)c2ccco2)c[nH+]1 ZINC000266497846 386442148 /nfs/dbraw/zinc/44/21/48/386442148.db2.gz FASZDASQUSXVMF-GFCCVEGCSA-N 1 2 249.270 0.949 20 0 BCADLO COc1cc([C@@H](C)[NH2+]Cc2nnnn2C)ccn1 ZINC000347541777 386443718 /nfs/dbraw/zinc/44/37/18/386443718.db2.gz OHIOKMBZYFXSBD-MRVPVSSYSA-N 1 2 248.290 0.465 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347545164 386448700 /nfs/dbraw/zinc/44/87/00/386448700.db2.gz UGIYXVBPCKWOLK-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347545164 386448707 /nfs/dbraw/zinc/44/87/07/386448707.db2.gz UGIYXVBPCKWOLK-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H](O)CN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000290533969 386448887 /nfs/dbraw/zinc/44/88/87/386448887.db2.gz AAIXYKXWZPFQRH-VIFPVBQESA-N 1 2 237.303 0.534 20 0 BCADLO O=C1[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC1 ZINC000336720082 386450777 /nfs/dbraw/zinc/45/07/77/386450777.db2.gz XZDGBVVPNBHIRW-TUAOUCFPSA-N 1 2 236.315 0.613 20 0 BCADLO O=C1[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC1 ZINC000336720082 386450783 /nfs/dbraw/zinc/45/07/83/386450783.db2.gz XZDGBVVPNBHIRW-TUAOUCFPSA-N 1 2 236.315 0.613 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000334496119 386389794 /nfs/dbraw/zinc/38/97/94/386389794.db2.gz IBEZPCKCBWGUMG-GXSJLCMTSA-N 1 2 245.282 0.930 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccccn1 ZINC000339367350 386396082 /nfs/dbraw/zinc/39/60/82/386396082.db2.gz RJMHNNWAEYTFQA-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO CC[C@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298894788 386396104 /nfs/dbraw/zinc/39/61/04/386396104.db2.gz MRJGAPBDXJEDNO-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298894788 386396107 /nfs/dbraw/zinc/39/61/07/386396107.db2.gz MRJGAPBDXJEDNO-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccccn1 ZINC000339367350 386396086 /nfs/dbraw/zinc/39/60/86/386396086.db2.gz RJMHNNWAEYTFQA-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccccn1 ZINC000339367349 386396539 /nfs/dbraw/zinc/39/65/39/386396539.db2.gz RJMHNNWAEYTFQA-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccccn1 ZINC000339367349 386396545 /nfs/dbraw/zinc/39/65/45/386396545.db2.gz RJMHNNWAEYTFQA-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000266085350 386399027 /nfs/dbraw/zinc/39/90/27/386399027.db2.gz YJZXDHVNHKBWSZ-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(C)c1 ZINC000298946378 386400426 /nfs/dbraw/zinc/40/04/26/386400426.db2.gz KLAIBUCNMVUQAQ-VIFPVBQESA-N 1 2 248.290 0.827 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000093082899 386400641 /nfs/dbraw/zinc/40/06/41/386400641.db2.gz DIOJXJNXWQEXOP-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000093082899 386400649 /nfs/dbraw/zinc/40/06/49/386400649.db2.gz DIOJXJNXWQEXOP-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO Cn1cc(C[N@H+](C)CCc2ccccn2)nn1 ZINC000336700792 386400809 /nfs/dbraw/zinc/40/08/09/386400809.db2.gz CVQAMORADGOKHM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1cc(C[N@@H+](C)CCc2ccccn2)nn1 ZINC000336700792 386400816 /nfs/dbraw/zinc/40/08/16/386400816.db2.gz CVQAMORADGOKHM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298993137 386402194 /nfs/dbraw/zinc/40/21/94/386402194.db2.gz IWPXTZNSRUINMS-GARJFASQSA-N 1 2 237.303 0.813 20 0 BCADLO Cn1cc(CCC(=O)Nc2ccc(N)[nH+]c2)cn1 ZINC000237772599 386407308 /nfs/dbraw/zinc/40/73/08/386407308.db2.gz IUDWEXIDDBSFFF-UHFFFAOYSA-N 1 2 245.286 0.969 20 0 BCADLO CCCCN1CC(=O)N[C@@H]1c1c[nH]c[nH+]1 ZINC000266176149 386407667 /nfs/dbraw/zinc/40/76/67/386407667.db2.gz ARHPGPRDNKWFHY-JTQLQIEISA-N 1 2 208.265 0.640 20 0 BCADLO NS(=O)(=O)c1ccc(C[NH+]2CCCC2)s1 ZINC000637831428 386414386 /nfs/dbraw/zinc/41/43/86/386414386.db2.gz YFMFRJOJMPURFJ-UHFFFAOYSA-N 1 2 246.357 0.991 20 0 BCADLO C[C@@H](CO)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299130375 386416655 /nfs/dbraw/zinc/41/66/55/386416655.db2.gz ZVTUXMIWSROWBH-ZJUUUORDSA-N 1 2 240.307 0.199 20 0 BCADLO CC(C)N1CC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000277229771 386418635 /nfs/dbraw/zinc/41/86/35/386418635.db2.gz FXFMTYFLFNACHC-UHFFFAOYSA-N 1 2 236.275 0.556 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336708673 386419001 /nfs/dbraw/zinc/41/90/01/386419001.db2.gz YJZHOOVKXXTTTL-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336708673 386419009 /nfs/dbraw/zinc/41/90/09/386419009.db2.gz YJZHOOVKXXTTTL-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336708669 386419088 /nfs/dbraw/zinc/41/90/88/386419088.db2.gz YJZHOOVKXXTTTL-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336708669 386419089 /nfs/dbraw/zinc/41/90/89/386419089.db2.gz YJZHOOVKXXTTTL-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO C[C@@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290347838 386421041 /nfs/dbraw/zinc/42/10/41/386421041.db2.gz PVFDUYFXODGHLX-KOLCDFICSA-N 1 2 232.287 0.865 20 0 BCADLO C[C@@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290347842 386422608 /nfs/dbraw/zinc/42/26/08/386422608.db2.gz PVFDUYFXODGHLX-MWLCHTKSSA-N 1 2 232.287 0.865 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1ccccc1=O ZINC000347525246 386429673 /nfs/dbraw/zinc/42/96/73/386429673.db2.gz SCJDYWIUAIMOTR-UHFFFAOYSA-N 1 2 246.270 0.230 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc2c1OCO2 ZINC000299255129 386431466 /nfs/dbraw/zinc/43/14/66/386431466.db2.gz QMIDNZMKBQZCIS-UHFFFAOYSA-N 1 2 222.244 0.332 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc2c1OCO2 ZINC000299255129 386431472 /nfs/dbraw/zinc/43/14/72/386431472.db2.gz QMIDNZMKBQZCIS-UHFFFAOYSA-N 1 2 222.244 0.332 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)CCCCO)n1 ZINC000336715152 386432105 /nfs/dbraw/zinc/43/21/05/386432105.db2.gz UITBZGSPGASNRA-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)CCCCO)n1 ZINC000336715152 386432110 /nfs/dbraw/zinc/43/21/10/386432110.db2.gz UITBZGSPGASNRA-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO COC[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000299568803 386468331 /nfs/dbraw/zinc/46/83/31/386468331.db2.gz BGJWYVSEDRIYTI-JTQLQIEISA-N 1 2 225.292 0.672 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+](CCO)Cc1cccnc1 ZINC000336731770 386471702 /nfs/dbraw/zinc/47/17/02/386471702.db2.gz RLDSPENPKHKZTE-LBPRGKRZSA-N 1 2 249.314 0.155 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+](CCO)Cc1cccnc1 ZINC000336731770 386471703 /nfs/dbraw/zinc/47/17/03/386471703.db2.gz RLDSPENPKHKZTE-LBPRGKRZSA-N 1 2 249.314 0.155 20 0 BCADLO CC[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC ZINC000313060541 386474131 /nfs/dbraw/zinc/47/41/31/386474131.db2.gz WBYVGLDURFRDMZ-IUCAKERBSA-N 1 2 215.293 0.953 20 0 BCADLO CCOCCNC(=O)CCn1cc[nH+]c1 ZINC000299640223 386475983 /nfs/dbraw/zinc/47/59/83/386475983.db2.gz ILNMEYMUSOTDTR-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO COc1ncncc1C[NH+]1CC(CCO)C1 ZINC000648042454 386479196 /nfs/dbraw/zinc/47/91/96/386479196.db2.gz BJYISMMPRKJYCQ-UHFFFAOYSA-N 1 2 223.276 0.299 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000336778882 386479831 /nfs/dbraw/zinc/47/98/31/386479831.db2.gz MOLWZNGROMKVLH-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1ccccn1 ZINC000299698077 386481105 /nfs/dbraw/zinc/48/11/05/386481105.db2.gz YSMLDXZAHRXAGL-UHFFFAOYSA-N 1 2 230.271 0.985 20 0 BCADLO CC[C@H](OC)C(=O)NCc1[nH+]ccn1CC ZINC000519545048 386481713 /nfs/dbraw/zinc/48/17/13/386481713.db2.gz GMJWIQBNSVPCOF-VIFPVBQESA-N 1 2 225.292 0.944 20 0 BCADLO O=c1c(NCCn2cc[nH+]c2)nccn1C1CC1 ZINC000061764547 386485938 /nfs/dbraw/zinc/48/59/38/386485938.db2.gz MVBSKDHYIPEAFC-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1ccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000267021395 386486984 /nfs/dbraw/zinc/48/69/84/386486984.db2.gz CJECZCMDAHCRJW-UHFFFAOYSA-N 1 2 232.287 0.928 20 0 BCADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)n1cccn1 ZINC000290927578 386488557 /nfs/dbraw/zinc/48/85/57/386488557.db2.gz LSSYNOSXKSWRSX-JTQLQIEISA-N 1 2 245.286 0.683 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000183343241 386490972 /nfs/dbraw/zinc/49/09/72/386490972.db2.gz DKSVWZSJIUBASK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000183343241 386490979 /nfs/dbraw/zinc/49/09/79/386490979.db2.gz DKSVWZSJIUBASK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290958159 386492066 /nfs/dbraw/zinc/49/20/66/386492066.db2.gz RFPFRGLSSSKFIH-JTQLQIEISA-N 1 2 223.276 0.650 20 0 BCADLO CCC[C@@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000336756168 386493498 /nfs/dbraw/zinc/49/34/98/386493498.db2.gz INPAWGAZUZSBCC-MRVPVSSYSA-N 1 2 208.265 0.851 20 0 BCADLO C[C@@H](C(=O)N1CC(C)C1)[NH+]1CCN(C)CC1 ZINC000335435734 386493735 /nfs/dbraw/zinc/49/37/35/386493735.db2.gz VAUTWLMTGZTNEF-NSHDSACASA-N 1 2 225.336 0.101 20 0 BCADLO Cn1ncc2c1nc(N[C@@H]1CCCOC1)[nH+]c2N ZINC000278169271 386497261 /nfs/dbraw/zinc/49/72/61/386497261.db2.gz CMNRJLHXBISZIE-SSDOTTSWSA-N 1 2 248.290 0.536 20 0 BCADLO Cc1cc(CC(=O)N2CCn3c[nH+]cc3C2)[nH]n1 ZINC000290994036 386497358 /nfs/dbraw/zinc/49/73/58/386497358.db2.gz XTSLSCYAEGMYHV-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO Cn1ccc(CNC(=O)NCc2[nH+]ccn2C)c1 ZINC000267113720 386498650 /nfs/dbraw/zinc/49/86/50/386498650.db2.gz YJIKICNDPZYVTN-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO C[C@H](CNC(=O)c1cn[nH]c1)Cn1cc[nH+]c1 ZINC000267149219 386499737 /nfs/dbraw/zinc/49/97/37/386499737.db2.gz RHXLFYHYPBWYHH-SECBINFHSA-N 1 2 233.275 0.672 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)c1ncn(C)n1 ZINC000291257116 386529591 /nfs/dbraw/zinc/52/95/91/386529591.db2.gz OJTIBZYVRFLMLA-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CCOC[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000191898265 386503616 /nfs/dbraw/zinc/50/36/16/386503616.db2.gz IEOVOTDJEORFGR-MRVPVSSYSA-N 1 2 228.296 0.650 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000157154945 386504436 /nfs/dbraw/zinc/50/44/36/386504436.db2.gz WGRRNWFSFIDJMO-SNVBAGLBSA-N 1 2 239.323 0.458 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000157154945 386504440 /nfs/dbraw/zinc/50/44/40/386504440.db2.gz WGRRNWFSFIDJMO-SNVBAGLBSA-N 1 2 239.323 0.458 20 0 BCADLO COC[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000191899665 386505152 /nfs/dbraw/zinc/50/51/52/386505152.db2.gz FCUIFSCEWOECRV-ZETCQYMHSA-N 1 2 214.269 0.260 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](O)CC ZINC000519622651 386509521 /nfs/dbraw/zinc/50/95/21/386509521.db2.gz IWADSSLJZNYWAS-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](O)CC ZINC000519622651 386509528 /nfs/dbraw/zinc/50/95/28/386509528.db2.gz IWADSSLJZNYWAS-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513641 /nfs/dbraw/zinc/51/36/41/386513641.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 1 2 208.309 0.887 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000135504542 386519191 /nfs/dbraw/zinc/51/91/91/386519191.db2.gz JGYLSLUTIXEMHN-JTQLQIEISA-N 1 2 247.302 0.475 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000135504542 386519199 /nfs/dbraw/zinc/51/91/99/386519199.db2.gz JGYLSLUTIXEMHN-JTQLQIEISA-N 1 2 247.302 0.475 20 0 BCADLO C[C@@H](C(=O)N(C)[C@@H](C)C1CC1)[NH+]1CCOCC1 ZINC000339681932 386519771 /nfs/dbraw/zinc/51/97/71/386519771.db2.gz VCXJQTJWSIMXQP-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1 ZINC000347571909 386454734 /nfs/dbraw/zinc/45/47/34/386454734.db2.gz FHWPVLGLGSLNEY-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1 ZINC000347571909 386454741 /nfs/dbraw/zinc/45/47/41/386454741.db2.gz FHWPVLGLGSLNEY-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1n[nH]cc1C(=O)NCCNc1cccc[nH+]1 ZINC000266621211 386459121 /nfs/dbraw/zinc/45/91/21/386459121.db2.gz SWBIIZRAIPYZRQ-UHFFFAOYSA-N 1 2 245.286 0.955 20 0 BCADLO CC[C@@H](CNC(=O)NCCn1cc[nH+]c1)OC ZINC000290614908 386459451 /nfs/dbraw/zinc/45/94/51/386459451.db2.gz JUWVQXNQGOLNHE-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000094357461 386459798 /nfs/dbraw/zinc/45/97/98/386459798.db2.gz KJBLNCPYSVOXQJ-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000094357461 386459802 /nfs/dbraw/zinc/45/98/02/386459802.db2.gz KJBLNCPYSVOXQJ-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CC[C@H](CNC(=O)NCc1[nH+]ccn1C)OC ZINC000290644017 386461311 /nfs/dbraw/zinc/46/13/11/386461311.db2.gz DXJQSJJFRNIAQO-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000336778581 386465424 /nfs/dbraw/zinc/46/54/24/386465424.db2.gz LSQFNYQIADJCTF-OPRDCNLKSA-N 1 2 231.292 0.332 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)OC ZINC000336778580 386465524 /nfs/dbraw/zinc/46/55/24/386465524.db2.gz LSQFNYQIADJCTF-LPEHRKFASA-N 1 2 231.292 0.332 20 0 BCADLO Cn1c[nH+]cc1CSc1n[nH]c(=O)n1C ZINC000267715653 386575521 /nfs/dbraw/zinc/57/55/21/386575521.db2.gz ABESQSPWRKCPDK-UHFFFAOYSA-N 1 2 225.277 0.134 20 0 BCADLO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336997699 386576542 /nfs/dbraw/zinc/57/65/42/386576542.db2.gz PJSUYPDSQKRSHA-YUMQZZPRSA-N 1 2 237.259 0.177 20 0 BCADLO CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1C ZINC000062255945 386576614 /nfs/dbraw/zinc/57/66/14/386576614.db2.gz RNZIPWZUBCDCMP-QMMMGPOBSA-N 1 2 210.281 0.116 20 0 BCADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+]1CCO ZINC000187673568 386580795 /nfs/dbraw/zinc/58/07/95/386580795.db2.gz LFVADECUQGJWKA-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+]1CCO ZINC000187673568 386580798 /nfs/dbraw/zinc/58/07/98/386580798.db2.gz LFVADECUQGJWKA-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000048921864 386581628 /nfs/dbraw/zinc/58/16/28/386581628.db2.gz GIDKXIDLWJZSES-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000048921864 386581633 /nfs/dbraw/zinc/58/16/33/386581633.db2.gz GIDKXIDLWJZSES-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO C[C@@H](C(=O)N1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000335415578 386582483 /nfs/dbraw/zinc/58/24/83/386582483.db2.gz ZJOPTKDGUIXZIX-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO Cc1nnc(N(C)C(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000291831335 386587975 /nfs/dbraw/zinc/58/79/75/386587975.db2.gz GIGBIXYWCUALIW-MRVPVSSYSA-N 1 2 240.332 0.904 20 0 BCADLO Cc1nnc(N(C)C(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000291831335 386587978 /nfs/dbraw/zinc/58/79/78/386587978.db2.gz GIGBIXYWCUALIW-MRVPVSSYSA-N 1 2 240.332 0.904 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)CC(C)C)n(C)n1 ZINC000417719859 386588568 /nfs/dbraw/zinc/58/85/68/386588568.db2.gz QVLWMCDSZHTRJT-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)CC(C)C)n(C)n1 ZINC000417719859 386588572 /nfs/dbraw/zinc/58/85/72/386588572.db2.gz QVLWMCDSZHTRJT-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO COC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC000278843015 386593313 /nfs/dbraw/zinc/59/33/13/386593313.db2.gz SVTRVQCGPIXOKD-UHFFFAOYSA-N 1 2 237.303 0.946 20 0 BCADLO CCn1cncc1C[N@@H+](CC(N)=O)CC(C)C ZINC000417717151 386593614 /nfs/dbraw/zinc/59/36/14/386593614.db2.gz MTAOUBNMBJBPEN-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CCn1cncc1C[N@H+](CC(N)=O)CC(C)C ZINC000417717151 386593620 /nfs/dbraw/zinc/59/36/20/386593620.db2.gz MTAOUBNMBJBPEN-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CCOCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218417 386594520 /nfs/dbraw/zinc/59/45/20/386594520.db2.gz RWANHMQGZPVIIJ-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218417 386594525 /nfs/dbraw/zinc/59/45/25/386594525.db2.gz RWANHMQGZPVIIJ-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)C1CC1 ZINC000329038919 386595744 /nfs/dbraw/zinc/59/57/44/386595744.db2.gz SCEUVOWVCWCDDH-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335455071 386531041 /nfs/dbraw/zinc/53/10/41/386531041.db2.gz NJRCBSSDQHVLFI-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335455071 386531045 /nfs/dbraw/zinc/53/10/45/386531045.db2.gz NJRCBSSDQHVLFI-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO O=C(C[NH2+]CC1CC1)Nc1ccc2nn[nH]c2c1 ZINC000262640500 386545405 /nfs/dbraw/zinc/54/54/05/386545405.db2.gz RAZJYQUVNCWZCC-UHFFFAOYSA-N 1 2 245.286 0.896 20 0 BCADLO CCO[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339731491 386548006 /nfs/dbraw/zinc/54/80/06/386548006.db2.gz TXDYSGYGCJGKLD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000047577342 386551989 /nfs/dbraw/zinc/55/19/89/386551989.db2.gz PYWUEDBAIUXLBI-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CCC[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000336756169 386556032 /nfs/dbraw/zinc/55/60/32/386556032.db2.gz INPAWGAZUZSBCC-QMMMGPOBSA-N 1 2 208.265 0.851 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCO1 ZINC000278668514 386563143 /nfs/dbraw/zinc/56/31/43/386563143.db2.gz PPYNNJMRJJZQTC-SECBINFHSA-N 1 2 223.276 0.556 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCCO1 ZINC000278668514 386563151 /nfs/dbraw/zinc/56/31/51/386563151.db2.gz PPYNNJMRJJZQTC-SECBINFHSA-N 1 2 223.276 0.556 20 0 BCADLO CC[C@H](O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000291647579 386563477 /nfs/dbraw/zinc/56/34/77/386563477.db2.gz NHWNPTJSLCEOFL-ZJUUUORDSA-N 1 2 240.307 0.342 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC[C@@H]1CCOC1 ZINC000267614424 386563468 /nfs/dbraw/zinc/56/34/68/386563468.db2.gz SSEDPWZACNFEBK-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335405908 386564208 /nfs/dbraw/zinc/56/42/08/386564208.db2.gz APLCVPRVPVSLMA-ONGXEEELSA-N 1 2 242.344 0.083 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335405908 386564210 /nfs/dbraw/zinc/56/42/10/386564210.db2.gz APLCVPRVPVSLMA-ONGXEEELSA-N 1 2 242.344 0.083 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCNC(=O)C2)n1 ZINC000335408806 386569065 /nfs/dbraw/zinc/56/90/65/386569065.db2.gz QGYUBZFZWBGQQX-UHFFFAOYSA-N 1 2 219.288 0.364 20 0 BCADLO Cc1cccc(CC[N@H+]2CCNC(=O)C2)n1 ZINC000335408806 386569068 /nfs/dbraw/zinc/56/90/68/386569068.db2.gz QGYUBZFZWBGQQX-UHFFFAOYSA-N 1 2 219.288 0.364 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)C2)CC1 ZINC000335495604 386619183 /nfs/dbraw/zinc/61/91/83/386619183.db2.gz TVWFYJYMSQOWMX-SNVBAGLBSA-N 1 2 224.304 0.520 20 0 BCADLO NS(=O)(=O)CCC[N@@H+]1Cc2cccnc2C1 ZINC000644933736 386620393 /nfs/dbraw/zinc/62/03/93/386620393.db2.gz VDOBTQHUFPVOTF-UHFFFAOYSA-N 1 2 241.316 0.076 20 0 BCADLO NS(=O)(=O)CCC[N@H+]1Cc2cccnc2C1 ZINC000644933736 386620396 /nfs/dbraw/zinc/62/03/96/386620396.db2.gz VDOBTQHUFPVOTF-UHFFFAOYSA-N 1 2 241.316 0.076 20 0 BCADLO O=C1CN(Cc2[nH]cc[nH+]2)CN1CC1CC1 ZINC000279019898 386622021 /nfs/dbraw/zinc/62/20/21/386622021.db2.gz GOJQDMWNWLHWTP-UHFFFAOYSA-N 1 2 220.276 0.421 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000329163673 386622318 /nfs/dbraw/zinc/62/23/18/386622318.db2.gz GOAZUCDCFYLJEC-IVZWLZJFSA-N 1 2 226.276 0.736 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000329163673 386622323 /nfs/dbraw/zinc/62/23/23/386622323.db2.gz GOAZUCDCFYLJEC-IVZWLZJFSA-N 1 2 226.276 0.736 20 0 BCADLO CN(C)c1noc(C[N@H+](CCO)CC2CC2)n1 ZINC000337136914 386625123 /nfs/dbraw/zinc/62/51/23/386625123.db2.gz NNXDZOMWYBRUON-UHFFFAOYSA-N 1 2 240.307 0.340 20 0 BCADLO CN(C)c1noc(C[N@@H+](CCO)CC2CC2)n1 ZINC000337136914 386625130 /nfs/dbraw/zinc/62/51/30/386625130.db2.gz NNXDZOMWYBRUON-UHFFFAOYSA-N 1 2 240.307 0.340 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)ncn1 ZINC000292162704 386627663 /nfs/dbraw/zinc/62/76/63/386627663.db2.gz KTTUAPOGTXMEMZ-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)ncn1 ZINC000292162704 386627668 /nfs/dbraw/zinc/62/76/68/386627668.db2.gz KTTUAPOGTXMEMZ-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329196065 386630708 /nfs/dbraw/zinc/63/07/08/386630708.db2.gz UOCFRJBNWBNVJU-NSHDSACASA-N 1 2 234.303 0.525 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329196065 386630711 /nfs/dbraw/zinc/63/07/11/386630711.db2.gz UOCFRJBNWBNVJU-NSHDSACASA-N 1 2 234.303 0.525 20 0 BCADLO CCc1cc(=O)[nH]c(C[NH+]2CCC(O)CC2)n1 ZINC000268261891 386636402 /nfs/dbraw/zinc/63/64/02/386636402.db2.gz XPNYGFCSCHZBGR-UHFFFAOYSA-N 1 2 237.303 0.701 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000268270232 386637178 /nfs/dbraw/zinc/63/71/78/386637178.db2.gz HBAZKQAXIXOOLT-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO CCc1cc(N(C)CC(N)=O)nc(C)[nH+]1 ZINC000301325375 386655994 /nfs/dbraw/zinc/65/59/94/386655994.db2.gz AKGFYIIRCPBKCW-UHFFFAOYSA-N 1 2 208.265 0.269 20 0 BCADLO C[C@@H](CO)[N@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000329249596 386640909 /nfs/dbraw/zinc/64/09/09/386640909.db2.gz XDVJUIODHRWVKB-VIFPVBQESA-N 1 2 239.323 0.336 20 0 BCADLO C[C@@H](CO)[N@@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000329249596 386640915 /nfs/dbraw/zinc/64/09/15/386640915.db2.gz XDVJUIODHRWVKB-VIFPVBQESA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@@H](COC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279169014 386643648 /nfs/dbraw/zinc/64/36/48/386643648.db2.gz IXRBACYEKYECOY-VIFPVBQESA-N 1 2 225.292 0.802 20 0 BCADLO CC[C@@H](COC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279169014 386643654 /nfs/dbraw/zinc/64/36/54/386643654.db2.gz IXRBACYEKYECOY-VIFPVBQESA-N 1 2 225.292 0.802 20 0 BCADLO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCCCO2)nc1=O ZINC000329283944 386647391 /nfs/dbraw/zinc/64/73/91/386647391.db2.gz NRXOWFHLUHPEDW-VIFPVBQESA-N 1 2 240.307 0.109 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCCO2)nc1=O ZINC000329283944 386647392 /nfs/dbraw/zinc/64/73/92/386647392.db2.gz NRXOWFHLUHPEDW-VIFPVBQESA-N 1 2 240.307 0.109 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000337202740 386650710 /nfs/dbraw/zinc/65/07/10/386650710.db2.gz HEAFARXJTUEMEZ-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000337202740 386650713 /nfs/dbraw/zinc/65/07/13/386650713.db2.gz HEAFARXJTUEMEZ-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000337202738 386651057 /nfs/dbraw/zinc/65/10/57/386651057.db2.gz HEAFARXJTUEMEZ-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000337202738 386651062 /nfs/dbraw/zinc/65/10/62/386651062.db2.gz HEAFARXJTUEMEZ-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)Cn1cncn1 ZINC000644972958 386652496 /nfs/dbraw/zinc/65/24/96/386652496.db2.gz VEQTVIFTZFJCFY-UHFFFAOYSA-N 1 2 231.259 0.929 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000329047111 386599486 /nfs/dbraw/zinc/59/94/86/386599486.db2.gz GBFFCPBVHRJFNM-SNVBAGLBSA-N 1 2 236.275 0.397 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000329047111 386599492 /nfs/dbraw/zinc/59/94/92/386599492.db2.gz GBFFCPBVHRJFNM-SNVBAGLBSA-N 1 2 236.275 0.397 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425549796 386602919 /nfs/dbraw/zinc/60/29/19/386602919.db2.gz ODYZLKNDBNIDPU-RKDXNWHRSA-N 1 2 238.291 0.546 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425549796 386602927 /nfs/dbraw/zinc/60/29/27/386602927.db2.gz ODYZLKNDBNIDPU-RKDXNWHRSA-N 1 2 238.291 0.546 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1(O)CCCCC1 ZINC000267954448 386603594 /nfs/dbraw/zinc/60/35/94/386603594.db2.gz XRBIQPRFDFXLNS-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO CCC[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000336646907 386655025 /nfs/dbraw/zinc/65/50/25/386655025.db2.gz DJVQNHRVZGPYMW-BDAKNGLRSA-N 1 2 201.266 0.707 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335493065 386611632 /nfs/dbraw/zinc/61/16/32/386611632.db2.gz VDPKZRFSRIUCDP-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H](CNC(=O)c1cncn1C)Cn1cc[nH+]c1 ZINC000292039274 386612155 /nfs/dbraw/zinc/61/21/55/386612155.db2.gz XNXOXEBZABZETD-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO C[C@H](O)CC[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000644921307 386613117 /nfs/dbraw/zinc/61/31/17/386613117.db2.gz CYHRSTORSDMTQU-AVGNSLFASA-N 1 2 242.363 0.288 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000336645653 386615335 /nfs/dbraw/zinc/61/53/35/386615335.db2.gz YKYDYFQXJUYTDA-BIIVOSGPSA-N 1 2 203.307 0.889 20 0 BCADLO CCN(CC[N@@H+]1CCOC[C@H]1C)CC(=O)OC ZINC000337127434 386615823 /nfs/dbraw/zinc/61/58/23/386615823.db2.gz GVKAQBXVEILUHZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC[N@H+]1CCOC[C@H]1C)CC(=O)OC ZINC000337127434 386615824 /nfs/dbraw/zinc/61/58/24/386615824.db2.gz GVKAQBXVEILUHZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+](CCN1CCOC[C@H]1C)CC(=O)OC ZINC000337127434 386615827 /nfs/dbraw/zinc/61/58/27/386615827.db2.gz GVKAQBXVEILUHZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+](CCN1CCOC[C@H]1C)CC(=O)OC ZINC000337127434 386615830 /nfs/dbraw/zinc/61/58/30/386615830.db2.gz GVKAQBXVEILUHZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cc(C)nn1C ZINC000417740480 386616766 /nfs/dbraw/zinc/61/67/66/386616766.db2.gz ZIFWBGWUBZYOMX-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cc(C)nn1C ZINC000417740480 386616779 /nfs/dbraw/zinc/61/67/79/386616779.db2.gz ZIFWBGWUBZYOMX-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C1CC1 ZINC000190817587 386667518 /nfs/dbraw/zinc/66/75/18/386667518.db2.gz BAAXVKOFHZLYCZ-UHFFFAOYSA-N 1 2 235.213 0.830 20 0 BCADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C1CC1 ZINC000190817587 386667523 /nfs/dbraw/zinc/66/75/23/386667523.db2.gz BAAXVKOFHZLYCZ-UHFFFAOYSA-N 1 2 235.213 0.830 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000188469373 386668430 /nfs/dbraw/zinc/66/84/30/386668430.db2.gz QIFCNOMPSSQFSI-QMMMGPOBSA-N 1 2 210.281 0.366 20 0 BCADLO CC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000292435296 386669760 /nfs/dbraw/zinc/66/97/60/386669760.db2.gz XWXNRVICZHPSSW-VIFPVBQESA-N 1 2 236.319 0.647 20 0 BCADLO CC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000292435296 386669765 /nfs/dbraw/zinc/66/97/65/386669765.db2.gz XWXNRVICZHPSSW-VIFPVBQESA-N 1 2 236.319 0.647 20 0 BCADLO Cc1noc(CCC[N@H+]2CCN(C)C(=O)C2)n1 ZINC000268619767 386670187 /nfs/dbraw/zinc/67/01/87/386670187.db2.gz BAZUYECTEIIJQH-UHFFFAOYSA-N 1 2 238.291 0.085 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCN(C)C(=O)C2)n1 ZINC000268619767 386670192 /nfs/dbraw/zinc/67/01/92/386670192.db2.gz BAZUYECTEIIJQH-UHFFFAOYSA-N 1 2 238.291 0.085 20 0 BCADLO COc1n[nH]c(NC(=O)[C@H](C)[NH+]2CC(C)C2)n1 ZINC000520426221 386672392 /nfs/dbraw/zinc/67/23/92/386672392.db2.gz BMLJYNQRFAKRCC-ZETCQYMHSA-N 1 2 239.279 0.092 20 0 BCADLO Cc1nnc(CN(C)CC[NH+]2CCOCC2)o1 ZINC000330364085 386674064 /nfs/dbraw/zinc/67/40/64/386674064.db2.gz DOZUGZOOBQHJBM-UHFFFAOYSA-N 1 2 240.307 0.142 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CCCO ZINC000330363645 386674080 /nfs/dbraw/zinc/67/40/80/386674080.db2.gz NLKTXMCSBHXVPX-UHFFFAOYSA-N 1 2 213.285 0.068 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CCCO ZINC000330363645 386674085 /nfs/dbraw/zinc/67/40/85/386674085.db2.gz NLKTXMCSBHXVPX-UHFFFAOYSA-N 1 2 213.285 0.068 20 0 BCADLO Cn1nccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000120688842 386675936 /nfs/dbraw/zinc/67/59/36/386675936.db2.gz WSJOIZQQNKKCTJ-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO Cn1nccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000120688842 386675945 /nfs/dbraw/zinc/67/59/45/386675945.db2.gz WSJOIZQQNKKCTJ-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCO[C@H](CO)C2)n1 ZINC000330364370 386677616 /nfs/dbraw/zinc/67/76/16/386677616.db2.gz LPEAGUAUHIDQGX-JTQLQIEISA-N 1 2 241.291 0.004 20 0 BCADLO Cc1noc(CCC[N@H+]2CCO[C@H](CO)C2)n1 ZINC000330364370 386677621 /nfs/dbraw/zinc/67/76/21/386677621.db2.gz LPEAGUAUHIDQGX-JTQLQIEISA-N 1 2 241.291 0.004 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCO[C@@H](CO)C2)n1 ZINC000330364371 386677847 /nfs/dbraw/zinc/67/78/47/386677847.db2.gz LPEAGUAUHIDQGX-SNVBAGLBSA-N 1 2 241.291 0.004 20 0 BCADLO Cc1noc(CCC[N@H+]2CCO[C@@H](CO)C2)n1 ZINC000330364371 386677852 /nfs/dbraw/zinc/67/78/52/386677852.db2.gz LPEAGUAUHIDQGX-SNVBAGLBSA-N 1 2 241.291 0.004 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(OC)nc1C ZINC000337212967 386658854 /nfs/dbraw/zinc/65/88/54/386658854.db2.gz VZACYSDIZSAGMJ-UHFFFAOYSA-N 1 2 238.291 0.101 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(OC)nc1C ZINC000337212967 386658859 /nfs/dbraw/zinc/65/88/59/386658859.db2.gz VZACYSDIZSAGMJ-UHFFFAOYSA-N 1 2 238.291 0.101 20 0 BCADLO COC(=O)[C@H](CC1CC1)NCc1[nH+]ccn1C ZINC000414488313 386709535 /nfs/dbraw/zinc/70/95/35/386709535.db2.gz LURQOVAOZWJYLI-JTQLQIEISA-N 1 2 237.303 0.851 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(O)CC1 ZINC000191919718 386711276 /nfs/dbraw/zinc/71/12/76/386711276.db2.gz DFSOEFKYAGTSFL-MRVPVSSYSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335532065 386682917 /nfs/dbraw/zinc/68/29/17/386682917.db2.gz VSJOGUAJAJVKHI-NXEZZACHSA-N 1 2 235.287 0.793 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1c[nH]nn1 ZINC000647956162 386689494 /nfs/dbraw/zinc/68/94/94/386689494.db2.gz FPIVCHVUQHZDBB-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCc1c[nH]nn1 ZINC000647956162 386689499 /nfs/dbraw/zinc/68/94/99/386689499.db2.gz FPIVCHVUQHZDBB-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1cn[nH]n1 ZINC000647956162 386689505 /nfs/dbraw/zinc/68/95/05/386689505.db2.gz FPIVCHVUQHZDBB-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCc1cn[nH]n1 ZINC000647956162 386689514 /nfs/dbraw/zinc/68/95/14/386689514.db2.gz FPIVCHVUQHZDBB-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H]1CCOC1 ZINC000414482109 386690410 /nfs/dbraw/zinc/69/04/10/386690410.db2.gz CTOFMTUYHAZPQU-VHSXEESVSA-N 1 2 213.277 0.707 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000247004356 386693258 /nfs/dbraw/zinc/69/32/58/386693258.db2.gz RJFUSCAHLXWERK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000247004356 386693263 /nfs/dbraw/zinc/69/32/63/386693263.db2.gz RJFUSCAHLXWERK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)NC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000335474593 386695478 /nfs/dbraw/zinc/69/54/78/386695478.db2.gz PGIUVOIYEWSBER-UHFFFAOYSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@H+](CCO)Cc1cnnn1Cc1ccccc1 ZINC000292610595 386700584 /nfs/dbraw/zinc/70/05/84/386700584.db2.gz SUFSCNDLHXQBIP-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO C[N@@H+](CCO)Cc1cnnn1Cc1ccccc1 ZINC000292610595 386700596 /nfs/dbraw/zinc/70/05/96/386700596.db2.gz SUFSCNDLHXQBIP-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO CC[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000647958165 386701790 /nfs/dbraw/zinc/70/17/90/386701790.db2.gz CVFOEMACEAZKLX-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000647958165 386701799 /nfs/dbraw/zinc/70/17/99/386701799.db2.gz CVFOEMACEAZKLX-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000647958165 386701806 /nfs/dbraw/zinc/70/18/06/386701806.db2.gz CVFOEMACEAZKLX-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000647958165 386701813 /nfs/dbraw/zinc/70/18/13/386701813.db2.gz CVFOEMACEAZKLX-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO COC(=O)c1cn(CCn2cc[nH+]c2)c(C)n1 ZINC000357063842 386706922 /nfs/dbraw/zinc/70/69/22/386706922.db2.gz CLMIEQRAPKILEX-UHFFFAOYSA-N 1 2 234.259 0.875 20 0 BCADLO CCn1c[nH+]cc1CN1CCN(C2CC2)C(=O)C1 ZINC000417775737 386708472 /nfs/dbraw/zinc/70/84/72/386708472.db2.gz OAMXMQDHRQYOLD-UHFFFAOYSA-N 1 2 248.330 0.710 20 0 BCADLO CCC(CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191961353 386731226 /nfs/dbraw/zinc/73/12/26/386731226.db2.gz YJJZRWLQRUWWPF-VXNVDRBHSA-N 1 2 203.282 0.687 20 0 BCADLO CCO[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330478532 386731973 /nfs/dbraw/zinc/73/19/73/386731973.db2.gz XZIUNKIVMZUHFL-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330479561 386732082 /nfs/dbraw/zinc/73/20/82/386732082.db2.gz QCLZJNYGTJKFKK-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330479561 386732089 /nfs/dbraw/zinc/73/20/89/386732089.db2.gz QCLZJNYGTJKFKK-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H](O)C(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000526971024 386712912 /nfs/dbraw/zinc/71/29/12/386712912.db2.gz LPWWKFQIAJMMIL-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO Cc1cnc(C[N@H+](CC(N)=O)C(C)(C)C)nc1 ZINC000340691292 386714388 /nfs/dbraw/zinc/71/43/88/386714388.db2.gz VPJOBHYHRXWSAC-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO Cc1cnc(C[N@@H+](CC(N)=O)C(C)(C)C)nc1 ZINC000340691292 386714394 /nfs/dbraw/zinc/71/43/94/386714394.db2.gz VPJOBHYHRXWSAC-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCNC(=O)C1 ZINC000330441532 386740051 /nfs/dbraw/zinc/74/00/51/386740051.db2.gz PDVMHZCMMMQTHB-UHFFFAOYSA-N 1 2 228.292 0.008 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCNC(=O)C1 ZINC000330441532 386740058 /nfs/dbraw/zinc/74/00/58/386740058.db2.gz PDVMHZCMMMQTHB-UHFFFAOYSA-N 1 2 228.292 0.008 20 0 BCADLO O=C(c1c[nH]cn1)N1CCn2c[nH+]cc2C1 ZINC000329607124 386715751 /nfs/dbraw/zinc/71/57/51/386715751.db2.gz CGQJPNOXMKPBCK-UHFFFAOYSA-N 1 2 217.232 0.262 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cncnc1)CCO2 ZINC000279677963 386719339 /nfs/dbraw/zinc/71/93/39/386719339.db2.gz OGTLPGFIBWTLAY-YPMHNXCESA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cncnc1)CCO2 ZINC000279677963 386719344 /nfs/dbraw/zinc/71/93/44/386719344.db2.gz OGTLPGFIBWTLAY-YPMHNXCESA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330463118 386722892 /nfs/dbraw/zinc/72/28/92/386722892.db2.gz TXPVLVTZRCDENC-ZETCQYMHSA-N 1 2 211.265 0.184 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC(=O)N(C2CC2)C1 ZINC000279695187 386725397 /nfs/dbraw/zinc/72/53/97/386725397.db2.gz UZVQHNJUJVEKCP-UHFFFAOYSA-N 1 2 248.286 0.064 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000527004541 386729640 /nfs/dbraw/zinc/72/96/40/386729640.db2.gz BYGQNTZDHYDREH-NSHDSACASA-N 1 2 249.314 0.336 20 0 BCADLO CCO[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000226402397 386730248 /nfs/dbraw/zinc/73/02/48/386730248.db2.gz NMVHNYRBZNYCNS-BDAKNGLRSA-N 1 2 239.323 0.503 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccno1 ZINC000334150753 386749898 /nfs/dbraw/zinc/74/98/98/386749898.db2.gz JMYIOLIBLJAYDL-MRVPVSSYSA-N 1 2 214.290 0.584 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1ccno1 ZINC000334150753 386749903 /nfs/dbraw/zinc/74/99/03/386749903.db2.gz JMYIOLIBLJAYDL-MRVPVSSYSA-N 1 2 214.290 0.584 20 0 BCADLO C[N@H+](Cc1ncnn1CC(F)F)CC(C)(C)O ZINC000330560317 386768516 /nfs/dbraw/zinc/76/85/16/386768516.db2.gz HRMVLHMFTRNGRJ-UHFFFAOYSA-N 1 2 248.277 0.746 20 0 BCADLO C[N@@H+](Cc1ncnn1CC(F)F)CC(C)(C)O ZINC000330560317 386768522 /nfs/dbraw/zinc/76/85/22/386768522.db2.gz HRMVLHMFTRNGRJ-UHFFFAOYSA-N 1 2 248.277 0.746 20 0 BCADLO O=C(CN1CCCCC1=O)Nc1cc[nH+]cc1O ZINC000330556694 386768861 /nfs/dbraw/zinc/76/88/61/386768861.db2.gz PYSAEYMOJFDXSB-UHFFFAOYSA-N 1 2 249.270 0.160 20 0 BCADLO CSC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000280222156 386790374 /nfs/dbraw/zinc/79/03/74/386790374.db2.gz WVJHWBFCAUUVRU-UHFFFAOYSA-N 1 2 225.317 0.895 20 0 BCADLO C[S@](=O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000336665542 386770720 /nfs/dbraw/zinc/77/07/20/386770720.db2.gz VGUYHTOFNAVHOX-AWEZNQCLSA-N 1 2 213.306 0.410 20 0 BCADLO COCC[NH+]1CCN(CCSC)CC1 ZINC000192468879 386772700 /nfs/dbraw/zinc/77/27/00/386772700.db2.gz IEESQNWVGULZHN-UHFFFAOYSA-N 1 2 218.366 0.613 20 0 BCADLO CCC[C@@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000269311188 386776820 /nfs/dbraw/zinc/77/68/20/386776820.db2.gz NXZKBUVMALGAOW-GFCCVEGCSA-N 1 2 239.319 0.930 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)C(C)C ZINC000336667423 386781672 /nfs/dbraw/zinc/78/16/72/386781672.db2.gz WKLWESDHQZEEBE-MRVPVSSYSA-N 1 2 203.282 0.545 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCCO1 ZINC000269356989 386782140 /nfs/dbraw/zinc/78/21/40/386782140.db2.gz QMPWVKSZUVIMAR-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO O=C(CC[C@@H]1CCOC1)Nc1cc[nH+]cc1O ZINC000329697378 386784307 /nfs/dbraw/zinc/78/43/07/386784307.db2.gz FFJFPVDLTNOKAD-SECBINFHSA-N 1 2 236.271 0.964 20 0 BCADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NC)o1 ZINC000293175953 386786028 /nfs/dbraw/zinc/78/60/28/386786028.db2.gz NPWSIYKVZNMZLP-SNVBAGLBSA-N 1 2 240.303 0.865 20 0 BCADLO CC[C@@](C)(O)C[N@@H+]1CCn2ncnc2C1 ZINC000408444746 386787306 /nfs/dbraw/zinc/78/73/06/386787306.db2.gz VWJUYKFNELITMK-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@@](C)(O)C[N@H+]1CCn2ncnc2C1 ZINC000408444746 386787309 /nfs/dbraw/zinc/78/73/09/386787309.db2.gz VWJUYKFNELITMK-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330563939 386787372 /nfs/dbraw/zinc/78/73/72/386787372.db2.gz KDANUKUSZLYGPT-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000293455364 386818382 /nfs/dbraw/zinc/81/83/82/386818382.db2.gz CVFFFVQYPHULHV-LLVKDONJSA-N 1 2 232.287 0.950 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1cn2cccnc2n1 ZINC000293455364 386818389 /nfs/dbraw/zinc/81/83/89/386818389.db2.gz CVFFFVQYPHULHV-LLVKDONJSA-N 1 2 232.287 0.950 20 0 BCADLO Cc1ccnc(C(=O)N2CCn3cc[nH+]c3C2)n1 ZINC000329987880 386819615 /nfs/dbraw/zinc/81/96/15/386819615.db2.gz SZTSLKHRFGKUBN-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO COC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330625063 386821061 /nfs/dbraw/zinc/82/10/61/386821061.db2.gz SKUFFUQLHGYGFJ-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330625063 386821069 /nfs/dbraw/zinc/82/10/69/386821069.db2.gz SKUFFUQLHGYGFJ-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330625064 386821565 /nfs/dbraw/zinc/82/15/65/386821565.db2.gz SKUFFUQLHGYGFJ-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330625064 386821571 /nfs/dbraw/zinc/82/15/71/386821571.db2.gz SKUFFUQLHGYGFJ-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000336672813 386821841 /nfs/dbraw/zinc/82/18/41/386821841.db2.gz GOPFIKPNNMVFLC-SECBINFHSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000336672813 386821848 /nfs/dbraw/zinc/82/18/48/386821848.db2.gz GOPFIKPNNMVFLC-SECBINFHSA-N 1 2 210.281 0.460 20 0 BCADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894584 386797946 /nfs/dbraw/zinc/79/79/46/386797946.db2.gz FBMWTXCNTIYSAI-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894584 386797952 /nfs/dbraw/zinc/79/79/52/386797952.db2.gz FBMWTXCNTIYSAI-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H]1OCC[C@]12CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000280309115 386800833 /nfs/dbraw/zinc/80/08/33/386800833.db2.gz FZDLGLYIEZPNLB-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cncnc1 ZINC000344857878 386801175 /nfs/dbraw/zinc/80/11/75/386801175.db2.gz PAOJSNBTXRKWRL-ZJUUUORDSA-N 1 2 211.240 0.381 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cncnc1 ZINC000344857878 386801177 /nfs/dbraw/zinc/80/11/77/386801177.db2.gz PAOJSNBTXRKWRL-ZJUUUORDSA-N 1 2 211.240 0.381 20 0 BCADLO CC(C)C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000280592096 386824187 /nfs/dbraw/zinc/82/41/87/386824187.db2.gz XSUJDFMIVSUZBZ-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CC(C)C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000280592096 386824194 /nfs/dbraw/zinc/82/41/94/386824194.db2.gz XSUJDFMIVSUZBZ-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330589837 386803650 /nfs/dbraw/zinc/80/36/50/386803650.db2.gz ZUANAYZEZZAIPD-MWLCHTKSSA-N 1 2 249.314 0.929 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344860934 386803654 /nfs/dbraw/zinc/80/36/54/386803654.db2.gz XBRDPROTVIYUDV-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344860934 386803660 /nfs/dbraw/zinc/80/36/60/386803660.db2.gz XBRDPROTVIYUDV-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO CC[N@H+](CCC1CC1)Cc1nnn(C)n1 ZINC000440528488 386804985 /nfs/dbraw/zinc/80/49/85/386804985.db2.gz SJASLKUBZJUCJT-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CC[N@@H+](CCC1CC1)Cc1nnn(C)n1 ZINC000440528488 386804993 /nfs/dbraw/zinc/80/49/93/386804993.db2.gz SJASLKUBZJUCJT-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H](C)O)C(=O)OC ZINC000192983338 386805888 /nfs/dbraw/zinc/80/58/88/386805888.db2.gz RKQTYXPCPKKYKR-WCBMZHEXSA-N 1 2 203.282 0.689 20 0 BCADLO C[C@H](C(=O)NC1CC1)N1CCn2c[nH+]cc2C1 ZINC000647939170 386807046 /nfs/dbraw/zinc/80/70/46/386807046.db2.gz DJCQOCIVZLKTJX-SECBINFHSA-N 1 2 234.303 0.366 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000357561200 386807372 /nfs/dbraw/zinc/80/73/72/386807372.db2.gz WMMSYPKIYMCHOC-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000330604222 386808328 /nfs/dbraw/zinc/80/83/28/386808328.db2.gz KZWONIPQOJQUDI-QMMMGPOBSA-N 1 2 244.291 0.300 20 0 BCADLO CC(C)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000330604119 386808481 /nfs/dbraw/zinc/80/84/81/386808481.db2.gz GPCJAMADFKDQOG-NSHDSACASA-N 1 2 238.335 0.795 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)nn1 ZINC000329880914 386810910 /nfs/dbraw/zinc/81/09/10/386810910.db2.gz AFTFSZQGGXAKHX-JMJZKYOTSA-N 1 2 249.318 0.951 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)nn1 ZINC000329880914 386810911 /nfs/dbraw/zinc/81/09/11/386810911.db2.gz AFTFSZQGGXAKHX-JMJZKYOTSA-N 1 2 249.318 0.951 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn3ccccc3n2)C[C@H]1O ZINC000395326117 386813405 /nfs/dbraw/zinc/81/34/05/386813405.db2.gz WVBLGGHRGQJXQN-VXGBXAGGSA-N 1 2 247.298 0.526 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)C[C@H]1O ZINC000395326117 386813408 /nfs/dbraw/zinc/81/34/08/386813408.db2.gz WVBLGGHRGQJXQN-VXGBXAGGSA-N 1 2 247.298 0.526 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000280459673 386814883 /nfs/dbraw/zinc/81/48/83/386814883.db2.gz LTPSGOSBEPMXPX-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000280459673 386814891 /nfs/dbraw/zinc/81/48/91/386814891.db2.gz LTPSGOSBEPMXPX-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO C[C@@H](CNC(=O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC000280432194 386815405 /nfs/dbraw/zinc/81/54/05/386815405.db2.gz QFRPIQGSRDUGTH-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2ncnc2C1 ZINC000329952010 386815631 /nfs/dbraw/zinc/81/56/31/386815631.db2.gz INOUFLHTHAQSNT-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2ncnc2C1 ZINC000329952010 386815640 /nfs/dbraw/zinc/81/56/40/386815640.db2.gz INOUFLHTHAQSNT-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1c(C[N@@H+]2CCn3ncnc3C2)cnn1C ZINC000329957147 386815723 /nfs/dbraw/zinc/81/57/23/386815723.db2.gz LRAYURONWCPLBN-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1c(C[N@H+]2CCn3ncnc3C2)cnn1C ZINC000329957147 386815730 /nfs/dbraw/zinc/81/57/30/386815730.db2.gz LRAYURONWCPLBN-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330674447 386853266 /nfs/dbraw/zinc/85/32/66/386853266.db2.gz QNPJHYYNCMFERA-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334778794 386833258 /nfs/dbraw/zinc/83/32/58/386833258.db2.gz ISLIQPYKVYOXNI-MRVPVSSYSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334778794 386833265 /nfs/dbraw/zinc/83/32/65/386833265.db2.gz ISLIQPYKVYOXNI-MRVPVSSYSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000334778794 386833269 /nfs/dbraw/zinc/83/32/69/386833269.db2.gz ISLIQPYKVYOXNI-MRVPVSSYSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000334778794 386833273 /nfs/dbraw/zinc/83/32/73/386833273.db2.gz ISLIQPYKVYOXNI-MRVPVSSYSA-N 1 2 210.281 0.845 20 0 BCADLO CN1C(=O)N(CCn2cc[nH+]c2)C(=O)C1(C)C ZINC000336472652 386837471 /nfs/dbraw/zinc/83/74/71/386837471.db2.gz BDIAXIZGCZGSSE-UHFFFAOYSA-N 1 2 236.275 0.556 20 0 BCADLO CN(Cc1c[nH+]cn1C)C[C@H](O)C(F)(F)F ZINC000341123020 386841634 /nfs/dbraw/zinc/84/16/34/386841634.db2.gz HKHPAHPFSHXGSP-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO C[C@@]12CC[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1C2(F)F ZINC000330262275 386843985 /nfs/dbraw/zinc/84/39/85/386843985.db2.gz UTPWSVJHIJEBGN-IMTBSYHQSA-N 1 2 244.245 0.987 20 0 BCADLO C[C@@]12CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1C2(F)F ZINC000330262275 386843988 /nfs/dbraw/zinc/84/39/88/386843988.db2.gz UTPWSVJHIJEBGN-IMTBSYHQSA-N 1 2 244.245 0.987 20 0 BCADLO Cc1nc(N2CC[C@@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000301440908 386846295 /nfs/dbraw/zinc/84/62/95/386846295.db2.gz MUUKFFGLWWJMHK-SNVBAGLBSA-N 1 2 234.303 0.713 20 0 BCADLO CC(C)OC1CC([N@H+]2CC(=O)N[C@H](C)C2)C1 ZINC000334786623 386847854 /nfs/dbraw/zinc/84/78/54/386847854.db2.gz ISTMNBGYBCVZCR-KPPDAEKUSA-N 1 2 226.320 0.763 20 0 BCADLO CC(C)OC1CC([N@@H+]2CC(=O)N[C@H](C)C2)C1 ZINC000334786623 386847857 /nfs/dbraw/zinc/84/78/57/386847857.db2.gz ISTMNBGYBCVZCR-KPPDAEKUSA-N 1 2 226.320 0.763 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000334789584 386853787 /nfs/dbraw/zinc/85/37/87/386853787.db2.gz YSFAAXYQXQQMCR-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000334789584 386853790 /nfs/dbraw/zinc/85/37/90/386853790.db2.gz YSFAAXYQXQQMCR-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCc2cncnc2C1 ZINC000357837988 386852796 /nfs/dbraw/zinc/85/27/96/386852796.db2.gz JRMUVGNJTGJWSK-UHFFFAOYSA-N 1 2 248.330 0.702 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCc2cncnc2C1 ZINC000357837988 386852802 /nfs/dbraw/zinc/85/28/02/386852802.db2.gz JRMUVGNJTGJWSK-UHFFFAOYSA-N 1 2 248.330 0.702 20 0 BCADLO Cc1nnc(NC(=O)CCn2cc[nH+]c2)n1C ZINC000330802458 386892831 /nfs/dbraw/zinc/89/28/31/386892831.db2.gz FQIJFSIXLUHMJY-UHFFFAOYSA-N 1 2 234.263 0.349 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000341313112 386893436 /nfs/dbraw/zinc/89/34/36/386893436.db2.gz SBDPWIMKGMPASJ-SECBINFHSA-N 1 2 239.319 0.917 20 0 BCADLO CN(C)[C@H](C(=O)NCC(F)F)c1c[nH+]cn1C ZINC000330674672 386854323 /nfs/dbraw/zinc/85/43/23/386854323.db2.gz QRGSGPYYFPXWMH-VIFPVBQESA-N 1 2 246.261 0.404 20 0 BCADLO C[N@H+](Cc1ncnn1C(C)(C)C)C1(CO)CC1 ZINC000331466637 386858345 /nfs/dbraw/zinc/85/83/45/386858345.db2.gz JCMWUAUUHWTFJP-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO C[N@@H+](Cc1ncnn1C(C)(C)C)C1(CO)CC1 ZINC000331466637 386858350 /nfs/dbraw/zinc/85/83/50/386858350.db2.gz JCMWUAUUHWTFJP-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000335743244 386861815 /nfs/dbraw/zinc/86/18/15/386861815.db2.gz OXUCCWXCPXPUMR-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000335743244 386861821 /nfs/dbraw/zinc/86/18/21/386861821.db2.gz OXUCCWXCPXPUMR-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335745898 386866760 /nfs/dbraw/zinc/86/67/60/386866760.db2.gz DNOSDYUDOJJFGS-ZDUSSCGKSA-N 1 2 240.347 0.700 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2CCCN(C)C2=O)n1C ZINC000341257025 386868104 /nfs/dbraw/zinc/86/81/04/386868104.db2.gz JKNMYAGLYHYQBG-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2cnccn2)n1 ZINC000357935249 386869230 /nfs/dbraw/zinc/86/92/30/386869230.db2.gz MDFABOUQSZTPAP-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051886923 386873215 /nfs/dbraw/zinc/87/32/15/386873215.db2.gz WIYMEVCBUXDORE-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051886923 386873219 /nfs/dbraw/zinc/87/32/19/386873219.db2.gz WIYMEVCBUXDORE-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO C[C@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000341270389 386873371 /nfs/dbraw/zinc/87/33/71/386873371.db2.gz LQNMEQXERJWAKP-ZETCQYMHSA-N 1 2 211.265 0.184 20 0 BCADLO C[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000341267915 386873441 /nfs/dbraw/zinc/87/34/41/386873441.db2.gz BJMCCWVUSFOAPT-JGVFFNPUSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@H](O)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000341267915 386873442 /nfs/dbraw/zinc/87/34/42/386873442.db2.gz BJMCCWVUSFOAPT-JGVFFNPUSA-N 1 2 223.276 0.327 20 0 BCADLO O=C([C@@H]1CCC[C@H](O)C1)N1CCn2cc[nH+]c2C1 ZINC000335749417 386875537 /nfs/dbraw/zinc/87/55/37/386875537.db2.gz RZNWYGPPYLOJQU-MNOVXSKESA-N 1 2 249.314 0.776 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H]1SC)[C@H](C)O ZINC000425342925 386875816 /nfs/dbraw/zinc/87/58/16/386875816.db2.gz QOWOMAJGDMZJSY-JQCXWYLXSA-N 1 2 233.333 0.392 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@H](O)CC2)n1 ZINC000331636330 386877109 /nfs/dbraw/zinc/87/71/09/386877109.db2.gz MFRADNQDNCMNBC-VIFPVBQESA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@H](O)CC2)n1 ZINC000331636330 386877113 /nfs/dbraw/zinc/87/71/13/386877113.db2.gz MFRADNQDNCMNBC-VIFPVBQESA-N 1 2 240.307 0.482 20 0 BCADLO CO[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000330777909 386884681 /nfs/dbraw/zinc/88/46/81/386884681.db2.gz KTWBLELXKIUEDV-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO COc1ccncc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000367856003 386914245 /nfs/dbraw/zinc/91/42/45/386914245.db2.gz KHYTYFXLBAVJLS-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccncc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000367856003 386914250 /nfs/dbraw/zinc/91/42/50/386914250.db2.gz KHYTYFXLBAVJLS-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COCc1noc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000367861843 386914673 /nfs/dbraw/zinc/91/46/73/386914673.db2.gz TUEMJQAHPKAZCM-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000367861843 386914677 /nfs/dbraw/zinc/91/46/77/386914677.db2.gz TUEMJQAHPKAZCM-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)C1CC(=O)C1)C2 ZINC000367878771 386916872 /nfs/dbraw/zinc/91/68/72/386916872.db2.gz MMPJUPNXTKNTLA-UHFFFAOYSA-N 1 2 233.271 0.284 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712808 386918643 /nfs/dbraw/zinc/91/86/43/386918643.db2.gz CPVMJWILQKIPRD-MRVPVSSYSA-N 1 2 237.259 0.266 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712808 386918652 /nfs/dbraw/zinc/91/86/52/386918652.db2.gz CPVMJWILQKIPRD-MRVPVSSYSA-N 1 2 237.259 0.266 20 0 BCADLO CCc1cc(N2CCC[C@@H]2C(N)=O)nc(C)[nH+]1 ZINC000302058885 386898562 /nfs/dbraw/zinc/89/85/62/386898562.db2.gz RTUUCXPKPDNAFP-SNVBAGLBSA-N 1 2 234.303 0.802 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccon1 ZINC000330827278 386899160 /nfs/dbraw/zinc/89/91/60/386899160.db2.gz SAWXYJXYUWKURY-MWLCHTKSSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccon1 ZINC000330827278 386899165 /nfs/dbraw/zinc/89/91/65/386899165.db2.gz SAWXYJXYUWKURY-MWLCHTKSSA-N 1 2 226.276 0.646 20 0 BCADLO COC(=O)C[C@@]1([NH2+]Cc2ccon2)CCOC1 ZINC000330833789 386901268 /nfs/dbraw/zinc/90/12/68/386901268.db2.gz HQLQYDPRNFOBBB-NSHDSACASA-N 1 2 240.259 0.486 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)CO1 ZINC000358162083 386902483 /nfs/dbraw/zinc/90/24/83/386902483.db2.gz LHEFVOKEENJENU-ZJUUUORDSA-N 1 2 235.287 0.650 20 0 BCADLO CO[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000330789270 386903668 /nfs/dbraw/zinc/90/36/68/386903668.db2.gz ZHRRFWQCHMCYMN-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CO[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000330789270 386903675 /nfs/dbraw/zinc/90/36/75/386903675.db2.gz ZHRRFWQCHMCYMN-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000358161295 386903839 /nfs/dbraw/zinc/90/38/39/386903839.db2.gz FYKWULZRSRDZDZ-IJLUTSLNSA-N 1 2 247.298 0.650 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2C(=O)NCC[C@@H]2C)n1C ZINC000341398908 386904533 /nfs/dbraw/zinc/90/45/33/386904533.db2.gz FAXNHQNDSGZOGB-GZMMTYOYSA-N 1 2 236.319 0.343 20 0 BCADLO COC[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000358181293 386909827 /nfs/dbraw/zinc/90/98/27/386909827.db2.gz CODOUKSFGKWIID-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cnccn1 ZINC000330843707 386909955 /nfs/dbraw/zinc/90/99/55/386909955.db2.gz JPIMMCHAYVUMTP-NSHDSACASA-N 1 2 223.276 0.248 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cnccn1 ZINC000330843707 386909959 /nfs/dbraw/zinc/90/99/59/386909959.db2.gz JPIMMCHAYVUMTP-NSHDSACASA-N 1 2 223.276 0.248 20 0 BCADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000334819776 386946966 /nfs/dbraw/zinc/94/69/66/386946966.db2.gz VUOQSSRHLNFFSF-MRVPVSSYSA-N 1 2 245.298 0.655 20 0 BCADLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000334819776 386946972 /nfs/dbraw/zinc/94/69/72/386946972.db2.gz VUOQSSRHLNFFSF-MRVPVSSYSA-N 1 2 245.298 0.655 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334865534 386922443 /nfs/dbraw/zinc/92/24/43/386922443.db2.gz UVSAYUMLSQTYDE-JTQLQIEISA-N 1 2 213.256 0.888 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334865534 386922447 /nfs/dbraw/zinc/92/24/47/386922447.db2.gz UVSAYUMLSQTYDE-JTQLQIEISA-N 1 2 213.256 0.888 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334865535 386922619 /nfs/dbraw/zinc/92/26/19/386922619.db2.gz UVSAYUMLSQTYDE-SNVBAGLBSA-N 1 2 213.256 0.888 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334865535 386922622 /nfs/dbraw/zinc/92/26/22/386922622.db2.gz UVSAYUMLSQTYDE-SNVBAGLBSA-N 1 2 213.256 0.888 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)NC(C)=O ZINC000358264896 386922777 /nfs/dbraw/zinc/92/27/77/386922777.db2.gz LJQRSNYVCKFMIM-QMMMGPOBSA-N 1 2 235.287 0.529 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)[nH]1 ZINC000331907207 386924791 /nfs/dbraw/zinc/92/47/91/386924791.db2.gz YBBBQBXISFEIIM-SNVBAGLBSA-N 1 2 247.306 0.542 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)[nH]1 ZINC000331907207 386924796 /nfs/dbraw/zinc/92/47/96/386924796.db2.gz YBBBQBXISFEIIM-SNVBAGLBSA-N 1 2 247.306 0.542 20 0 BCADLO Cc1csc(C[N@H+](C)CCOCCO)n1 ZINC000265771774 386925689 /nfs/dbraw/zinc/92/56/89/386925689.db2.gz ISVMIEUBEQTKIQ-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO Cc1csc(C[N@@H+](C)CCOCCO)n1 ZINC000265771774 386925695 /nfs/dbraw/zinc/92/56/95/386925695.db2.gz ISVMIEUBEQTKIQ-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO C[C@@](O)(C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000341588998 386927135 /nfs/dbraw/zinc/92/71/35/386927135.db2.gz RHSBRIXCZBWDCO-JTQLQIEISA-N 1 2 209.249 0.187 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330953342 386928251 /nfs/dbraw/zinc/92/82/51/386928251.db2.gz GBEZRFCLEVRMQP-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330953342 386928258 /nfs/dbraw/zinc/92/82/58/386928258.db2.gz GBEZRFCLEVRMQP-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@](C)(O)C1CC1 ZINC000341592173 386929701 /nfs/dbraw/zinc/92/97/01/386929701.db2.gz GOIAJGNIBGSBLF-NSHDSACASA-N 1 2 223.276 0.529 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H]1CCCO1 ZINC000116286892 386930180 /nfs/dbraw/zinc/93/01/80/386930180.db2.gz LQLZZLPOAJMKIX-AXFHLTTASA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000116286892 386930185 /nfs/dbraw/zinc/93/01/85/386930185.db2.gz LQLZZLPOAJMKIX-AXFHLTTASA-N 1 2 243.303 0.428 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000330920135 386932041 /nfs/dbraw/zinc/93/20/41/386932041.db2.gz OXDAJZTWHIOZPM-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO CN(CC(N)=O)c1[nH]c2ccccc2[nH+]1 ZINC000302756586 386935997 /nfs/dbraw/zinc/93/59/97/386935997.db2.gz WCYMCUIVMKSODG-UHFFFAOYSA-N 1 2 204.233 0.484 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000331989094 386936218 /nfs/dbraw/zinc/93/62/18/386936218.db2.gz YPASLFGDRXATQQ-HTQZYQBOSA-N 1 2 209.249 0.451 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCc1[nH+]ccn1C ZINC000331020475 386936678 /nfs/dbraw/zinc/93/66/78/386936678.db2.gz OPBGOCBCHIUDKK-NSHDSACASA-N 1 2 225.292 0.443 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330987551 386940182 /nfs/dbraw/zinc/94/01/82/386940182.db2.gz RFPQQRQXJHACBD-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330987551 386940184 /nfs/dbraw/zinc/94/01/84/386940184.db2.gz RFPQQRQXJHACBD-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H](O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341723715 386954250 /nfs/dbraw/zinc/95/42/50/386954250.db2.gz XWEADEIEJSRWDT-APPZFPTMSA-N 1 2 223.276 0.368 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000368269291 386955143 /nfs/dbraw/zinc/95/51/43/386955143.db2.gz HSWYBDFVEMLWGD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000368269291 386955150 /nfs/dbraw/zinc/95/51/50/386955150.db2.gz HSWYBDFVEMLWGD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1nc[nH]n1 ZINC000358462509 386960560 /nfs/dbraw/zinc/96/05/60/386960560.db2.gz YLMAZAZQPZMRGA-UHFFFAOYSA-N 1 2 234.263 0.164 20 0 BCADLO CC1(C)NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330324479 386960969 /nfs/dbraw/zinc/96/09/69/386960969.db2.gz IMTYPCNPWVOKGO-MRVPVSSYSA-N 1 2 248.286 0.733 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000332116428 386961313 /nfs/dbraw/zinc/96/13/13/386961313.db2.gz GHTCZZNZSWWWAY-JOYOIKCWSA-N 1 2 244.310 0.450 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000332116428 386961317 /nfs/dbraw/zinc/96/13/17/386961317.db2.gz GHTCZZNZSWWWAY-JOYOIKCWSA-N 1 2 244.310 0.450 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000425353864 386962991 /nfs/dbraw/zinc/96/29/91/386962991.db2.gz QYKYIBSZEDEETN-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000425353864 386962994 /nfs/dbraw/zinc/96/29/94/386962994.db2.gz QYKYIBSZEDEETN-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000425353864 386962996 /nfs/dbraw/zinc/96/29/96/386962996.db2.gz QYKYIBSZEDEETN-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000425353864 386962999 /nfs/dbraw/zinc/96/29/99/386962999.db2.gz QYKYIBSZEDEETN-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO COC(=O)C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000331134545 386971502 /nfs/dbraw/zinc/97/15/02/386971502.db2.gz RJSSYTORHIKJPM-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nccn1C ZINC000331146579 386972876 /nfs/dbraw/zinc/97/28/76/386972876.db2.gz GWVRZXRBBACCRR-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nccn1C ZINC000331146579 386972878 /nfs/dbraw/zinc/97/28/78/386972878.db2.gz GWVRZXRBBACCRR-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nccn1C ZINC000331146577 386973539 /nfs/dbraw/zinc/97/35/39/386973539.db2.gz GWVRZXRBBACCRR-GHMZBOCLSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nccn1C ZINC000331146577 386973542 /nfs/dbraw/zinc/97/35/42/386973542.db2.gz GWVRZXRBBACCRR-GHMZBOCLSA-N 1 2 239.319 0.392 20 0 BCADLO O=C(COC(F)F)NCc1[nH]cc[nH+]1 ZINC000352946023 386974352 /nfs/dbraw/zinc/97/43/52/386974352.db2.gz LNQCZGWHPGRDDX-UHFFFAOYSA-N 1 2 205.164 0.265 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CC(O)(C2CC2)C1 ZINC000368471030 386976933 /nfs/dbraw/zinc/97/69/33/386976933.db2.gz PBHUONDZHAUEEE-LLVKDONJSA-N 1 2 240.347 0.164 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000332395038 386977158 /nfs/dbraw/zinc/97/71/58/386977158.db2.gz SNQDPYSCSAPXSY-IUCAKERBSA-N 1 2 223.276 0.117 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334904009 386978425 /nfs/dbraw/zinc/97/84/25/386978425.db2.gz ZZTXCMQXTYVUPI-ONGXEEELSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334904009 386978427 /nfs/dbraw/zinc/97/84/27/386978427.db2.gz ZZTXCMQXTYVUPI-ONGXEEELSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334904007 386978801 /nfs/dbraw/zinc/97/88/01/386978801.db2.gz ZZTXCMQXTYVUPI-KOLCDFICSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334904007 386978807 /nfs/dbraw/zinc/97/88/07/386978807.db2.gz ZZTXCMQXTYVUPI-KOLCDFICSA-N 1 2 226.320 0.574 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353023316 386979468 /nfs/dbraw/zinc/97/94/68/386979468.db2.gz FZLBBTPXMOSKTC-QMMMGPOBSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353023316 386979474 /nfs/dbraw/zinc/97/94/74/386979474.db2.gz FZLBBTPXMOSKTC-QMMMGPOBSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)nn1 ZINC000353023944 386979915 /nfs/dbraw/zinc/97/99/15/386979915.db2.gz GMCGMSLLCRANFY-QMMMGPOBSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](COC(F)F)C2)nn1 ZINC000353023944 386979918 /nfs/dbraw/zinc/97/99/18/386979918.db2.gz GMCGMSLLCRANFY-QMMMGPOBSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023313 386980381 /nfs/dbraw/zinc/98/03/81/386980381.db2.gz FZLBBTPXMOSKTC-MRVPVSSYSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023313 386980386 /nfs/dbraw/zinc/98/03/86/386980386.db2.gz FZLBBTPXMOSKTC-MRVPVSSYSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCCCCF ZINC000341872492 386981390 /nfs/dbraw/zinc/98/13/90/386981390.db2.gz PRDGNNAHFOIJSX-UHFFFAOYSA-N 1 2 215.276 0.782 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCCCCF ZINC000341872492 386981397 /nfs/dbraw/zinc/98/13/97/386981397.db2.gz PRDGNNAHFOIJSX-UHFFFAOYSA-N 1 2 215.276 0.782 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000331207996 386989915 /nfs/dbraw/zinc/98/99/15/386989915.db2.gz PRAQWQMVLHIBOK-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000331207998 386990105 /nfs/dbraw/zinc/99/01/05/386990105.db2.gz PRAQWQMVLHIBOK-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](CNC(=O)Cc1ccon1)Cn1cc[nH+]c1 ZINC000353017755 386990626 /nfs/dbraw/zinc/99/06/26/386990626.db2.gz SGDSAJLXGWXAIW-JTQLQIEISA-N 1 2 248.286 0.866 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000334916868 386991194 /nfs/dbraw/zinc/99/11/94/386991194.db2.gz BJTCQHCBNAGQHA-QWRGUYRKSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000334916868 386991198 /nfs/dbraw/zinc/99/11/98/386991198.db2.gz BJTCQHCBNAGQHA-QWRGUYRKSA-N 1 2 241.335 0.368 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1 ZINC000358642209 386991820 /nfs/dbraw/zinc/99/18/20/386991820.db2.gz ZDVTYSGCOABHRW-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000331267769 386992521 /nfs/dbraw/zinc/99/25/21/386992521.db2.gz RSMKDSWQKSETHW-MXWKQRLJSA-N 1 2 237.303 0.813 20 0 BCADLO O=C(C[N@H+]1CCC[C@](F)(CO)C1)NC1CC1 ZINC000368619737 386993458 /nfs/dbraw/zinc/99/34/58/386993458.db2.gz RYDCQGQNZFXZBD-LLVKDONJSA-N 1 2 230.283 0.061 20 0 BCADLO O=C(C[N@@H+]1CCC[C@](F)(CO)C1)NC1CC1 ZINC000368619737 386993460 /nfs/dbraw/zinc/99/34/60/386993460.db2.gz RYDCQGQNZFXZBD-LLVKDONJSA-N 1 2 230.283 0.061 20 0 BCADLO CC(C)c1[nH+]ccn1CC(=O)Nc1nn[nH]n1 ZINC000331279592 386993668 /nfs/dbraw/zinc/99/36/68/386993668.db2.gz ZUPWNMXFGOQWCV-UHFFFAOYSA-N 1 2 235.251 0.158 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nnc(C)o2)CCC1 ZINC000353031373 386993992 /nfs/dbraw/zinc/99/39/92/386993992.db2.gz DPRQUHJHEKXBAR-UHFFFAOYSA-N 1 2 239.275 0.953 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)nn1 ZINC000332619260 386994554 /nfs/dbraw/zinc/99/45/54/386994554.db2.gz DRCDNPBOYIOZTO-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C[C@H]2C)nn1 ZINC000332619260 386994560 /nfs/dbraw/zinc/99/45/60/386994560.db2.gz DRCDNPBOYIOZTO-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO O=C(C[N@H+]1CCC[C@@](F)(CO)C1)NC1CC1 ZINC000368619738 386994581 /nfs/dbraw/zinc/99/45/81/386994581.db2.gz RYDCQGQNZFXZBD-NSHDSACASA-N 1 2 230.283 0.061 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@](F)(CO)C1)NC1CC1 ZINC000368619738 386994586 /nfs/dbraw/zinc/99/45/86/386994586.db2.gz RYDCQGQNZFXZBD-NSHDSACASA-N 1 2 230.283 0.061 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000332684910 387001038 /nfs/dbraw/zinc/00/10/38/387001038.db2.gz IXURCTIRKGPHOU-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000332684910 387001042 /nfs/dbraw/zinc/00/10/42/387001042.db2.gz IXURCTIRKGPHOU-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000331265800 387001179 /nfs/dbraw/zinc/00/11/79/387001179.db2.gz HSVSNFWOSBDPNT-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926757 387002124 /nfs/dbraw/zinc/00/21/24/387002124.db2.gz WWLBHKUAPRQOOV-VXGBXAGGSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926757 387002129 /nfs/dbraw/zinc/00/21/29/387002129.db2.gz WWLBHKUAPRQOOV-VXGBXAGGSA-N 1 2 238.331 0.861 20 0 BCADLO CCN(Cc1[nH+]ccn1CC)[C@@H]1CCNC1=O ZINC000331314314 387003194 /nfs/dbraw/zinc/00/31/94/387003194.db2.gz WWAYSQVTQPLNIA-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000332708741 387003446 /nfs/dbraw/zinc/00/34/46/387003446.db2.gz YQKBCWNDQUGBOR-IUCAKERBSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000332708741 387003451 /nfs/dbraw/zinc/00/34/51/387003451.db2.gz YQKBCWNDQUGBOR-IUCAKERBSA-N 1 2 224.308 0.883 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)NCC1(C)C ZINC000334928161 387003576 /nfs/dbraw/zinc/00/35/76/387003576.db2.gz IBUIKFKUFPOAEG-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nncn2C)C[C@@H]1OC ZINC000332712089 387003972 /nfs/dbraw/zinc/00/39/72/387003972.db2.gz PEDNKFZWHCQMQO-LPEHRKFASA-N 1 2 240.307 0.222 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nncn2C)C[C@@H]1OC ZINC000332712089 387003973 /nfs/dbraw/zinc/00/39/73/387003973.db2.gz PEDNKFZWHCQMQO-LPEHRKFASA-N 1 2 240.307 0.222 20 0 BCADLO COC[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000332698875 387004355 /nfs/dbraw/zinc/00/43/55/387004355.db2.gz WUZZFJMXKGHMCT-SECBINFHSA-N 1 2 211.265 0.846 20 0 BCADLO COC[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332698875 387004359 /nfs/dbraw/zinc/00/43/59/387004359.db2.gz WUZZFJMXKGHMCT-SECBINFHSA-N 1 2 211.265 0.846 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000332739999 387005879 /nfs/dbraw/zinc/00/58/79/387005879.db2.gz YQFSSGYBGBOOBO-SFYZADRCSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000332739999 387005887 /nfs/dbraw/zinc/00/58/87/387005887.db2.gz YQFSSGYBGBOOBO-SFYZADRCSA-N 1 2 227.264 0.171 20 0 BCADLO Cc1oncc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332726708 387005897 /nfs/dbraw/zinc/00/58/97/387005897.db2.gz UEBZLZYSDNDOPN-JTQLQIEISA-N 1 2 244.316 0.602 20 0 BCADLO Cc1oncc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332726708 387005904 /nfs/dbraw/zinc/00/59/04/387005904.db2.gz UEBZLZYSDNDOPN-JTQLQIEISA-N 1 2 244.316 0.602 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000332740566 387006599 /nfs/dbraw/zinc/00/65/99/387006599.db2.gz YYEZSIDYGZRWLV-JGVFFNPUSA-N 1 2 243.332 0.892 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000332740566 387006601 /nfs/dbraw/zinc/00/66/01/387006601.db2.gz YYEZSIDYGZRWLV-JGVFFNPUSA-N 1 2 243.332 0.892 20 0 BCADLO Cc1c(NC(=O)C[NH+]2CC(C)(C)C2)nnn1C ZINC000519180301 387030781 /nfs/dbraw/zinc/03/07/81/387030781.db2.gz OYBXTDFEBNFWSR-UHFFFAOYSA-N 1 2 237.307 0.404 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000519213253 387033357 /nfs/dbraw/zinc/03/33/57/387033357.db2.gz CQKYGXVHGGLBLU-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000519213253 387033360 /nfs/dbraw/zinc/03/33/60/387033360.db2.gz CQKYGXVHGGLBLU-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CN(CC[N@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000358927059 387034650 /nfs/dbraw/zinc/03/46/50/387034650.db2.gz VHMJIOJAZJLZNR-UHFFFAOYSA-N 1 2 248.334 0.697 20 0 BCADLO CN(CC[N@@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000358927059 387034654 /nfs/dbraw/zinc/03/46/54/387034654.db2.gz VHMJIOJAZJLZNR-UHFFFAOYSA-N 1 2 248.334 0.697 20 0 BCADLO CCOc1ncnc2c1C[N@H+](C[C@H](C)O)CC2 ZINC000369388146 387040714 /nfs/dbraw/zinc/04/07/14/387040714.db2.gz FJCUQXWYOWCQCU-VIFPVBQESA-N 1 2 237.303 0.614 20 0 BCADLO CCOc1ncnc2c1C[N@@H+](C[C@H](C)O)CC2 ZINC000369388146 387040717 /nfs/dbraw/zinc/04/07/17/387040717.db2.gz FJCUQXWYOWCQCU-VIFPVBQESA-N 1 2 237.303 0.614 20 0 BCADLO Cc1cc(CC(=O)N2CCn3cc[nH+]c3C2)[nH]n1 ZINC000333767320 387053884 /nfs/dbraw/zinc/05/38/84/387053884.db2.gz WYRRUSZYGFRQFC-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCC1 ZINC000359085433 387054008 /nfs/dbraw/zinc/05/40/08/387054008.db2.gz IVAMPDULXHFUQQ-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO Cc1ccnc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000331298417 387009845 /nfs/dbraw/zinc/00/98/45/387009845.db2.gz UZTHMJYAYRHIOR-MNOVXSKESA-N 1 2 239.319 0.349 20 0 BCADLO Cc1ccnc(C[N@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000331298417 387009848 /nfs/dbraw/zinc/00/98/48/387009848.db2.gz UZTHMJYAYRHIOR-MNOVXSKESA-N 1 2 239.319 0.349 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cnc(C)nc2)C1 ZINC000425372492 387014392 /nfs/dbraw/zinc/01/43/92/387014392.db2.gz JXBVIOXKAIIRJA-UHFFFAOYSA-N 1 2 235.287 0.780 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)on1 ZINC000368822892 387014507 /nfs/dbraw/zinc/01/45/07/387014507.db2.gz LTCYIFDRHRBHCC-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)on1 ZINC000368822892 387014511 /nfs/dbraw/zinc/01/45/11/387014511.db2.gz LTCYIFDRHRBHCC-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO Cn1nncc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000368881991 387016725 /nfs/dbraw/zinc/01/67/25/387016725.db2.gz KERPCYVPFHEBFC-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1csnn1 ZINC000333095335 387019115 /nfs/dbraw/zinc/01/91/15/387019115.db2.gz UHBTXJQZIYWVBR-RNFRBKRXSA-N 1 2 226.305 0.467 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)OC(C)C)C1CC1 ZINC000358851865 387024379 /nfs/dbraw/zinc/02/43/79/387024379.db2.gz NFCSXYVHMZTNOR-LLVKDONJSA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(C)=O ZINC000246356838 387078306 /nfs/dbraw/zinc/07/83/06/387078306.db2.gz MZCCHTGMEKKMML-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(C)=O ZINC000246356838 387078310 /nfs/dbraw/zinc/07/83/10/387078310.db2.gz MZCCHTGMEKKMML-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000334989110 387079316 /nfs/dbraw/zinc/07/93/16/387079316.db2.gz LPTHFKRMXXVUMJ-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000334989110 387079321 /nfs/dbraw/zinc/07/93/21/387079321.db2.gz LPTHFKRMXXVUMJ-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC(C)C)C1 ZINC000418069321 387083623 /nfs/dbraw/zinc/08/36/23/387083623.db2.gz FDLFGDNKQABTML-UHFFFAOYSA-N 1 2 205.323 0.761 20 0 BCADLO CSC[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000066815638 387088587 /nfs/dbraw/zinc/08/85/87/387088587.db2.gz GHFPFQAEBSISMI-JTQLQIEISA-N 1 2 246.376 0.434 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CCSC2)C1 ZINC000418080227 387090132 /nfs/dbraw/zinc/09/01/32/387090132.db2.gz ZHKAAHIWPNQRBD-VIFPVBQESA-N 1 2 249.401 0.858 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)N(C)C ZINC000186397591 387099418 /nfs/dbraw/zinc/09/94/18/387099418.db2.gz LBBWAEYJFFZAIC-NSHDSACASA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)N(C)C ZINC000186397591 387099422 /nfs/dbraw/zinc/09/94/22/387099422.db2.gz LBBWAEYJFFZAIC-NSHDSACASA-N 1 2 228.292 0.102 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370344115 387109489 /nfs/dbraw/zinc/10/94/89/387109489.db2.gz UVTPFBKPHYEBHB-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370344115 387109490 /nfs/dbraw/zinc/10/94/90/387109490.db2.gz UVTPFBKPHYEBHB-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO C[C@H](F)CC[N@@H+]1C[C@@H](F)C[C@@H]1C(N)=O ZINC000352360296 387111319 /nfs/dbraw/zinc/11/13/19/387111319.db2.gz FONUXJZYJRZHHI-BIIVOSGPSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@H](F)CC[N@H+]1C[C@@H](F)C[C@@H]1C(N)=O ZINC000352360296 387111322 /nfs/dbraw/zinc/11/13/22/387111322.db2.gz FONUXJZYJRZHHI-BIIVOSGPSA-N 1 2 206.236 0.632 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370541371 387123581 /nfs/dbraw/zinc/12/35/81/387123581.db2.gz FJCQGNIPDIUTLI-SECBINFHSA-N 1 2 237.303 0.670 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000359568147 387126911 /nfs/dbraw/zinc/12/69/11/387126911.db2.gz BGWFRTUKPITYNI-SECBINFHSA-N 1 2 243.332 0.419 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000336315436 387142190 /nfs/dbraw/zinc/14/21/90/387142190.db2.gz IYADARIMNNMBAE-NXEZZACHSA-N 1 2 237.303 0.587 20 0 BCADLO Cc1cnn(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359672937 387143378 /nfs/dbraw/zinc/14/33/78/387143378.db2.gz ACJNQNVPJOBDRZ-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1cnn(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359672937 387143384 /nfs/dbraw/zinc/14/33/84/387143384.db2.gz ACJNQNVPJOBDRZ-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353166585 387146890 /nfs/dbraw/zinc/14/68/90/387146890.db2.gz CUULFTOTKGIEDK-ZETCQYMHSA-N 1 2 242.291 0.395 20 0 BCADLO NS(=O)(=O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353166585 387146896 /nfs/dbraw/zinc/14/68/96/387146896.db2.gz CUULFTOTKGIEDK-ZETCQYMHSA-N 1 2 242.291 0.395 20 0 BCADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000359799264 387164279 /nfs/dbraw/zinc/16/42/79/387164279.db2.gz QNXPGLZFZKTYQX-UHFFFAOYSA-N 1 2 222.204 0.336 20 0 BCADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000359799264 387164286 /nfs/dbraw/zinc/16/42/86/387164286.db2.gz QNXPGLZFZKTYQX-UHFFFAOYSA-N 1 2 222.204 0.336 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(C)(O)C1 ZINC000612693078 387165938 /nfs/dbraw/zinc/16/59/38/387165938.db2.gz BLVHYKNSNTVTQR-RKDXNWHRSA-N 1 2 235.287 0.117 20 0 BCADLO CC[C@H](Cn1cncn1)[NH2+]Cc1cn[nH]c1C ZINC000353257461 387166267 /nfs/dbraw/zinc/16/62/67/387166267.db2.gz BHLNVPSVHDALAZ-LLVKDONJSA-N 1 2 234.307 0.878 20 0 BCADLO c1cn(CCCNc2cncc3nncn32)c[nH+]1 ZINC000359830935 387172099 /nfs/dbraw/zinc/17/20/99/387172099.db2.gz JIHJJFUOEFTRRM-UHFFFAOYSA-N 1 2 243.274 0.823 20 0 BCADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000353296443 387173401 /nfs/dbraw/zinc/17/34/01/387173401.db2.gz BJQOLWGFXCQNGT-YUMQZZPRSA-N 1 2 213.285 0.238 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000353296443 387173406 /nfs/dbraw/zinc/17/34/06/387173406.db2.gz BJQOLWGFXCQNGT-YUMQZZPRSA-N 1 2 213.285 0.238 20 0 BCADLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n[nH]1 ZINC000187182907 387173925 /nfs/dbraw/zinc/17/39/25/387173925.db2.gz TZZRNTYJMKRNTE-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000353316684 387177531 /nfs/dbraw/zinc/17/75/31/387177531.db2.gz RLENLZNMNCGWBT-QMMMGPOBSA-N 1 2 229.280 0.683 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000353316684 387177537 /nfs/dbraw/zinc/17/75/37/387177537.db2.gz RLENLZNMNCGWBT-QMMMGPOBSA-N 1 2 229.280 0.683 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)C[C@@H]1F ZINC000424587383 387193911 /nfs/dbraw/zinc/19/39/11/387193911.db2.gz UGEKNSZAXYZPEZ-WCBMZHEXSA-N 1 2 211.240 0.747 20 0 BCADLO Cc1cnc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)s1 ZINC000284452298 387190078 /nfs/dbraw/zinc/19/00/78/387190078.db2.gz CVUBBLJSJWBNSO-SFYZADRCSA-N 1 2 241.316 0.767 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000537046974 387202181 /nfs/dbraw/zinc/20/21/81/387202181.db2.gz XCEPPNPBYYFIGY-UHFFFAOYSA-N 1 2 212.253 0.121 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000537046974 387202185 /nfs/dbraw/zinc/20/21/85/387202185.db2.gz XCEPPNPBYYFIGY-UHFFFAOYSA-N 1 2 212.253 0.121 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@@](C)(O)C2)on1 ZINC000571936733 387202555 /nfs/dbraw/zinc/20/25/55/387202555.db2.gz GLRDUSFQBUISSD-LLVKDONJSA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@@](C)(O)C2)on1 ZINC000571936733 387202558 /nfs/dbraw/zinc/20/25/58/387202558.db2.gz GLRDUSFQBUISSD-LLVKDONJSA-N 1 2 224.260 0.834 20 0 BCADLO c1[nH]c(CN2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000187535430 387203341 /nfs/dbraw/zinc/20/33/41/387203341.db2.gz XWYFQMUJTZTAAA-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000353467610 387207919 /nfs/dbraw/zinc/20/79/19/387207919.db2.gz CDXBRMOTWCSAEL-VHSXEESVSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000353467610 387207924 /nfs/dbraw/zinc/20/79/24/387207924.db2.gz CDXBRMOTWCSAEL-VHSXEESVSA-N 1 2 212.249 0.175 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1(O)CCC1 ZINC000353486902 387213006 /nfs/dbraw/zinc/21/30/06/387213006.db2.gz CRIWTKPPPJNSKG-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1(O)CCC1 ZINC000353486902 387213010 /nfs/dbraw/zinc/21/30/10/387213010.db2.gz CRIWTKPPPJNSKG-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC(=O)C1 ZINC000371442425 387214809 /nfs/dbraw/zinc/21/48/09/387214809.db2.gz IJGZSZBMEJBVDK-QMMMGPOBSA-N 1 2 233.271 0.362 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC(=O)C1 ZINC000371442425 387214812 /nfs/dbraw/zinc/21/48/12/387214812.db2.gz IJGZSZBMEJBVDK-QMMMGPOBSA-N 1 2 233.271 0.362 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](C)OC)C1CC1 ZINC000360027274 387216168 /nfs/dbraw/zinc/21/61/68/387216168.db2.gz GXJCJXFSWUOWNU-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@H+](C[C@H](C)OC)C1CC1 ZINC000360027274 387216171 /nfs/dbraw/zinc/21/61/71/387216171.db2.gz GXJCJXFSWUOWNU-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO CON(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000371482997 387221945 /nfs/dbraw/zinc/22/19/45/387221945.db2.gz LRRYDNRTLLQYQR-MRVPVSSYSA-N 1 2 209.249 0.465 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCNC(=O)NC(C)C ZINC000572031594 387222704 /nfs/dbraw/zinc/22/27/04/387222704.db2.gz MQMKSWQXNNKUIL-SECBINFHSA-N 1 2 245.323 0.187 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)C ZINC000572031594 387222707 /nfs/dbraw/zinc/22/27/07/387222707.db2.gz MQMKSWQXNNKUIL-SECBINFHSA-N 1 2 245.323 0.187 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)CO ZINC000572056824 387225801 /nfs/dbraw/zinc/22/58/01/387225801.db2.gz BAEISUSEWILRCC-UHFFFAOYSA-N 1 2 211.265 0.055 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CCO[C@@H](CO)C1 ZINC000168534275 387227721 /nfs/dbraw/zinc/22/77/21/387227721.db2.gz KFZLHWMEYNTPBI-SNVBAGLBSA-N 1 2 247.298 0.771 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CCOCCO)n1 ZINC000353576216 387232738 /nfs/dbraw/zinc/23/27/38/387232738.db2.gz PGBZHWTZEHFIHR-SNVBAGLBSA-N 1 2 241.291 0.524 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CCOCCO)n1 ZINC000353576216 387232744 /nfs/dbraw/zinc/23/27/44/387232744.db2.gz PGBZHWTZEHFIHR-SNVBAGLBSA-N 1 2 241.291 0.524 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[C@@H]1F ZINC000424655271 387236607 /nfs/dbraw/zinc/23/66/07/387236607.db2.gz ZYQDJOPYTISGRQ-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[C@@H]1F ZINC000424655271 387236610 /nfs/dbraw/zinc/23/66/10/387236610.db2.gz ZYQDJOPYTISGRQ-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1ccnc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)c1 ZINC000284897052 387238071 /nfs/dbraw/zinc/23/80/71/387238071.db2.gz OHRGCQHSUCGDBJ-KOLCDFICSA-N 1 2 235.287 0.705 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)NC1CC1)CC2 ZINC000371699715 387241183 /nfs/dbraw/zinc/24/11/83/387241183.db2.gz JJMDQMCXKNCLLU-UHFFFAOYSA-N 1 2 234.303 0.286 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000424663475 387242410 /nfs/dbraw/zinc/24/24/10/387242410.db2.gz ZSDSKCJUAPVXJE-ZYHUDNBSSA-N 1 2 244.310 0.525 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000360220537 387245753 /nfs/dbraw/zinc/24/57/53/387245753.db2.gz IIXZUSUSEYVYML-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000360220537 387245759 /nfs/dbraw/zinc/24/57/59/387245759.db2.gz IIXZUSUSEYVYML-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000097635572 387251092 /nfs/dbraw/zinc/25/10/92/387251092.db2.gz DOAZPCOBLPGFHT-VIFPVBQESA-N 1 2 237.259 0.163 20 0 BCADLO C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303046460 387309670 /nfs/dbraw/zinc/30/96/70/387309670.db2.gz ITZZUMLLJNMAMI-SNVBAGLBSA-N 1 2 245.282 0.983 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000514950875 387312982 /nfs/dbraw/zinc/31/29/82/387312982.db2.gz PLSFSGNQMFYNGN-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N1CCOCC1 ZINC000514950875 387312989 /nfs/dbraw/zinc/31/29/89/387312989.db2.gz PLSFSGNQMFYNGN-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ncon1 ZINC000514949921 387313074 /nfs/dbraw/zinc/31/30/74/387313074.db2.gz MXHDDZNWHFWGDM-QMMMGPOBSA-N 1 2 238.291 0.589 20 0 BCADLO O=C1NC[C@]2(CCC[N@H+](Cc3ccon3)C2)O1 ZINC000372666829 387316580 /nfs/dbraw/zinc/31/65/80/387316580.db2.gz PXDLZKXOEDFUTJ-NSHDSACASA-N 1 2 237.259 0.749 20 0 BCADLO O=C1NC[C@]2(CCC[N@@H+](Cc3ccon3)C2)O1 ZINC000372666829 387316587 /nfs/dbraw/zinc/31/65/87/387316587.db2.gz PXDLZKXOEDFUTJ-NSHDSACASA-N 1 2 237.259 0.749 20 0 BCADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CF ZINC000360592983 387317023 /nfs/dbraw/zinc/31/70/23/387317023.db2.gz DQMBIXAVJRJJNZ-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CF ZINC000360592983 387317029 /nfs/dbraw/zinc/31/70/29/387317029.db2.gz DQMBIXAVJRJJNZ-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO Cc1cc(NC(=O)NCc2ccn(C)n2)cc[nH+]1 ZINC000336434054 387260499 /nfs/dbraw/zinc/26/04/99/387260499.db2.gz LDUZTJXLJWITLE-UHFFFAOYSA-N 1 2 245.286 0.867 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000372043377 387266555 /nfs/dbraw/zinc/26/65/55/387266555.db2.gz VGSKOVMOGJKBGM-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000372043377 387266558 /nfs/dbraw/zinc/26/65/58/387266558.db2.gz VGSKOVMOGJKBGM-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nccc(N)n1 ZINC000285472462 387269085 /nfs/dbraw/zinc/26/90/85/387269085.db2.gz AWRWWWGGMKTAHL-MRVPVSSYSA-N 1 2 210.281 0.526 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nccc(N)n1 ZINC000285472462 387269087 /nfs/dbraw/zinc/26/90/87/387269087.db2.gz AWRWWWGGMKTAHL-MRVPVSSYSA-N 1 2 210.281 0.526 20 0 BCADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)N1CCCCC1 ZINC000336441806 387271150 /nfs/dbraw/zinc/27/11/50/387271150.db2.gz JABDSFQDNGVSSR-GFCCVEGCSA-N 1 2 244.310 0.405 20 0 BCADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)N1CCCCC1 ZINC000336441806 387271153 /nfs/dbraw/zinc/27/11/53/387271153.db2.gz JABDSFQDNGVSSR-GFCCVEGCSA-N 1 2 244.310 0.405 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000353770209 387272060 /nfs/dbraw/zinc/27/20/60/387272060.db2.gz GJCMZUIMYBOPFC-VWYCJHECSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000353770209 387272065 /nfs/dbraw/zinc/27/20/65/387272065.db2.gz GJCMZUIMYBOPFC-VWYCJHECSA-N 1 2 226.320 0.479 20 0 BCADLO CCc1cc(N2C[C@H](O)C[C@H]2CO)nc(C)[nH+]1 ZINC000355542809 387276297 /nfs/dbraw/zinc/27/62/97/387276297.db2.gz FNMDSNCADBXTFH-WDEREUQCSA-N 1 2 237.303 0.279 20 0 BCADLO COCc1nc(SCc2c[nH+]cn2C)n[nH]1 ZINC000353830145 387281572 /nfs/dbraw/zinc/28/15/72/387281572.db2.gz MBIMGIQRPBUUBY-UHFFFAOYSA-N 1 2 239.304 0.977 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cnn(C)n1 ZINC000290065971 387305181 /nfs/dbraw/zinc/30/51/81/387305181.db2.gz SZMWEGRDNPNLBS-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cnn(C)n1 ZINC000290065971 387305185 /nfs/dbraw/zinc/30/51/85/387305185.db2.gz SZMWEGRDNPNLBS-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000514870304 387306554 /nfs/dbraw/zinc/30/65/54/387306554.db2.gz HOSKEQYFNJKRQQ-SKDRFNHKSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000514870304 387306559 /nfs/dbraw/zinc/30/65/59/387306559.db2.gz HOSKEQYFNJKRQQ-SKDRFNHKSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H](CCCO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360815223 387354188 /nfs/dbraw/zinc/35/41/88/387354188.db2.gz BYMVFNWKPVVJSX-SFYZADRCSA-N 1 2 236.262 0.261 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000515282990 387356482 /nfs/dbraw/zinc/35/64/82/387356482.db2.gz NRIJOOQFFDKVJC-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000515282990 387356485 /nfs/dbraw/zinc/35/64/85/387356485.db2.gz NRIJOOQFFDKVJC-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO CC(C)(CO)C(=O)NCCn1cc[nH+]c1 ZINC000515310526 387359015 /nfs/dbraw/zinc/35/90/15/387359015.db2.gz TUMFYFHRZATJOL-UHFFFAOYSA-N 1 2 211.265 0.018 20 0 BCADLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH3+])C1=O ZINC000515307976 387360607 /nfs/dbraw/zinc/36/06/07/387360607.db2.gz DFHHXOZTFRQTJN-APPZFPTMSA-N 1 2 219.244 0.229 20 0 BCADLO Cc1ccncc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266091158 387367408 /nfs/dbraw/zinc/36/74/08/387367408.db2.gz DSKBTJCLGKTJOW-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccncc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266091158 387367410 /nfs/dbraw/zinc/36/74/10/387367410.db2.gz DSKBTJCLGKTJOW-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000354381734 387368637 /nfs/dbraw/zinc/36/86/37/387368637.db2.gz AUROPSCMEVXHQE-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(Nc1cncnc1)N1CCn2c[nH+]cc2C1 ZINC000572388147 387377788 /nfs/dbraw/zinc/37/77/88/387377788.db2.gz NLZOAUVFVJCNSG-UHFFFAOYSA-N 1 2 244.258 0.721 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000372703248 387322120 /nfs/dbraw/zinc/32/21/20/387322120.db2.gz SDJJJVPQAHCROB-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO CC1(C[N@@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000515029685 387324936 /nfs/dbraw/zinc/32/49/36/387324936.db2.gz GXIWTMVFJPIKIM-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO CC1(C[N@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000515029685 387324942 /nfs/dbraw/zinc/32/49/42/387324942.db2.gz GXIWTMVFJPIKIM-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO CC1(C[N@@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000515029685 387324946 /nfs/dbraw/zinc/32/49/46/387324946.db2.gz GXIWTMVFJPIKIM-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO CC1(C[N@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000515029685 387324951 /nfs/dbraw/zinc/32/49/51/387324951.db2.gz GXIWTMVFJPIKIM-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO COC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000354137843 387333912 /nfs/dbraw/zinc/33/39/12/387333912.db2.gz HRKKXKBDNGGRRT-SECBINFHSA-N 1 2 226.280 0.217 20 0 BCADLO COC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000354196282 387345093 /nfs/dbraw/zinc/34/50/93/387345093.db2.gz VOKSUOSTTOXTFI-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@@](C)(CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC000572376271 387353871 /nfs/dbraw/zinc/35/38/71/387353871.db2.gz FDFIPVKAOIDHFX-LBPRGKRZSA-N 1 2 237.303 0.634 20 0 BCADLO CCCNC(=O)CCC[NH+]1CCS(=O)CC1 ZINC000515865035 387430240 /nfs/dbraw/zinc/43/02/40/387430240.db2.gz UIKARJZTUNVRHI-UHFFFAOYSA-N 1 2 246.376 0.357 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CCC[C@H]1O ZINC000352669455 387431248 /nfs/dbraw/zinc/43/12/48/387431248.db2.gz ZXTROXDHNQOGFV-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CCC[C@H]1O ZINC000352669455 387431250 /nfs/dbraw/zinc/43/12/50/387431250.db2.gz ZXTROXDHNQOGFV-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CCC[C@@H]1O ZINC000352669458 387432829 /nfs/dbraw/zinc/43/28/29/387432829.db2.gz ZXTROXDHNQOGFV-ZJUUUORDSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CCC[C@@H]1O ZINC000352669458 387432831 /nfs/dbraw/zinc/43/28/31/387432831.db2.gz ZXTROXDHNQOGFV-ZJUUUORDSA-N 1 2 242.298 0.593 20 0 BCADLO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnn(C)n4)[C@H]1[C@H]3C2 ZINC000352680025 387434799 /nfs/dbraw/zinc/43/47/99/387434799.db2.gz IWGBAHKLIFALOJ-DWFQIMNCSA-N 1 2 249.318 0.065 20 0 BCADLO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4nnn(C)n4)[C@H]1[C@H]3C2 ZINC000352680025 387434802 /nfs/dbraw/zinc/43/48/02/387434802.db2.gz IWGBAHKLIFALOJ-DWFQIMNCSA-N 1 2 249.318 0.065 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000361369760 387448548 /nfs/dbraw/zinc/44/85/48/387448548.db2.gz LYHGTOYJXGIYCQ-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000361369760 387448552 /nfs/dbraw/zinc/44/85/52/387448552.db2.gz LYHGTOYJXGIYCQ-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000361372681 387448926 /nfs/dbraw/zinc/44/89/26/387448926.db2.gz PUNCXVWWHAGVKT-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000361372681 387448933 /nfs/dbraw/zinc/44/89/33/387448933.db2.gz PUNCXVWWHAGVKT-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO COCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000516048669 387452174 /nfs/dbraw/zinc/45/21/74/387452174.db2.gz SKVINTRHZKQYAN-QMMMGPOBSA-N 1 2 229.305 0.248 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000373676255 387388276 /nfs/dbraw/zinc/38/82/76/387388276.db2.gz NSFVJRHAFCELIH-TUAOUCFPSA-N 1 2 249.314 0.957 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)C1CC1 ZINC000373731806 387392375 /nfs/dbraw/zinc/39/23/75/387392375.db2.gz BIKWSTXCLLCRCM-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO CCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336574530 387397535 /nfs/dbraw/zinc/39/75/35/387397535.db2.gz IOMWZLMIYCERCF-SECBINFHSA-N 1 2 243.332 0.559 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000303796476 387399307 /nfs/dbraw/zinc/39/93/07/387399307.db2.gz BIPJXPSKFZMNSR-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000303796476 387399312 /nfs/dbraw/zinc/39/93/12/387399312.db2.gz BIPJXPSKFZMNSR-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303796490 387399678 /nfs/dbraw/zinc/39/96/78/387399678.db2.gz CKQKDCUUEODUTR-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303796490 387399681 /nfs/dbraw/zinc/39/96/81/387399681.db2.gz CKQKDCUUEODUTR-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO COC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000354625910 387405855 /nfs/dbraw/zinc/40/58/55/387405855.db2.gz PMPHEXDIFOFAEO-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000267347203 387410125 /nfs/dbraw/zinc/41/01/25/387410125.db2.gz DZKMNRWDBMCQFG-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000267347203 387410129 /nfs/dbraw/zinc/41/01/29/387410129.db2.gz DZKMNRWDBMCQFG-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cc1nc(C[N@@H+]2CCCC[C@@H](CO)C2)no1 ZINC000374035304 387412003 /nfs/dbraw/zinc/41/20/03/387412003.db2.gz CJIURCNNQROWBN-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCCC[C@@H](CO)C2)no1 ZINC000374035304 387412010 /nfs/dbraw/zinc/41/20/10/387412010.db2.gz CJIURCNNQROWBN-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@@H+]2CCCC[C@H](CO)C2)no1 ZINC000374035299 387412791 /nfs/dbraw/zinc/41/27/91/387412791.db2.gz CJIURCNNQROWBN-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCCC[C@H](CO)C2)no1 ZINC000374035299 387412795 /nfs/dbraw/zinc/41/27/95/387412795.db2.gz CJIURCNNQROWBN-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO CC(C)(NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000572415047 387413354 /nfs/dbraw/zinc/41/33/54/387413354.db2.gz SUPNDOIQDMBVDH-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO C[N@H+](CCO)Cc1nc(-c2ccoc2)no1 ZINC000303978126 387416463 /nfs/dbraw/zinc/41/64/63/387416463.db2.gz DDWOGXYUNUUJPR-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO C[N@@H+](CCO)Cc1nc(-c2ccoc2)no1 ZINC000303978126 387416467 /nfs/dbraw/zinc/41/64/67/387416467.db2.gz DDWOGXYUNUUJPR-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)C[C@H]1C ZINC000336594178 387419690 /nfs/dbraw/zinc/41/96/90/387419690.db2.gz MDLZDKFQSKZVDW-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)C[C@H]1C ZINC000336594178 387419694 /nfs/dbraw/zinc/41/96/94/387419694.db2.gz MDLZDKFQSKZVDW-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000572452966 387494606 /nfs/dbraw/zinc/49/46/06/387494606.db2.gz VROXXEHKWBFAQL-NEPJUHHUSA-N 1 2 249.314 0.768 20 0 BCADLO Cc1n[nH]c(C2CC[NH+]([C@H](C)C(N)=O)CC2)n1 ZINC000361569648 387495299 /nfs/dbraw/zinc/49/52/99/387495299.db2.gz TUOLLRHVKLRMII-SSDOTTSWSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc(C2CC[NH+]([C@H](C)C(N)=O)CC2)n[nH]1 ZINC000361569648 387495301 /nfs/dbraw/zinc/49/53/01/387495301.db2.gz TUOLLRHVKLRMII-SSDOTTSWSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc(C2CC[NH+]([C@H](C)C(N)=O)CC2)[nH]1 ZINC000361569648 387495307 /nfs/dbraw/zinc/49/53/07/387495307.db2.gz TUOLLRHVKLRMII-SSDOTTSWSA-N 1 2 237.307 0.166 20 0 BCADLO Cn1nnnc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374879988 387497350 /nfs/dbraw/zinc/49/73/50/387497350.db2.gz SBVPRFAPRPOUQK-QMMMGPOBSA-N 1 2 233.279 0.270 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cscn2)C1 ZINC000275220294 387507409 /nfs/dbraw/zinc/50/74/09/387507409.db2.gz KZRZJXQUAONYLE-UHFFFAOYSA-N 1 2 225.317 0.966 20 0 BCADLO O=C([C@@H]1C[C@@H]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000304848533 387516335 /nfs/dbraw/zinc/51/63/35/387516335.db2.gz PZDFAQZTRNUJDP-VXGBXAGGSA-N 1 2 238.331 0.169 20 0 BCADLO O=C([C@H]1C[C@H]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000304848532 387517263 /nfs/dbraw/zinc/51/72/63/387517263.db2.gz PZDFAQZTRNUJDP-RYUDHWBXSA-N 1 2 238.331 0.169 20 0 BCADLO C[N@H+](Cc1ccncc1Cl)[C@@H]1COC[C@@H]1O ZINC000352820539 387517295 /nfs/dbraw/zinc/51/72/95/387517295.db2.gz YZKHFUKHPDLRFA-MNOVXSKESA-N 1 2 242.706 0.927 20 0 BCADLO C[N@@H+](Cc1ccncc1Cl)[C@@H]1COC[C@@H]1O ZINC000352820539 387517298 /nfs/dbraw/zinc/51/72/98/387517298.db2.gz YZKHFUKHPDLRFA-MNOVXSKESA-N 1 2 242.706 0.927 20 0 BCADLO C[N@H+](Cc1ccncc1Cl)[C@H]1COC[C@H]1O ZINC000352820543 387518210 /nfs/dbraw/zinc/51/82/10/387518210.db2.gz YZKHFUKHPDLRFA-WDEREUQCSA-N 1 2 242.706 0.927 20 0 BCADLO C[N@@H+](Cc1ccncc1Cl)[C@H]1COC[C@H]1O ZINC000352820543 387518215 /nfs/dbraw/zinc/51/82/15/387518215.db2.gz YZKHFUKHPDLRFA-WDEREUQCSA-N 1 2 242.706 0.927 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C[C@H]2CCSC2)CC1 ZINC000426163811 387543921 /nfs/dbraw/zinc/54/39/21/387543921.db2.gz XEGNJFCHQOERCL-NWDGAFQWSA-N 1 2 244.404 0.738 20 0 BCADLO Cc1cn[nH]c1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000352824218 387522200 /nfs/dbraw/zinc/52/22/00/387522200.db2.gz DCUQVPRHPVSNKF-UHFFFAOYSA-N 1 2 246.318 0.864 20 0 BCADLO Cc1c[nH]nc1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000352824218 387522204 /nfs/dbraw/zinc/52/22/04/387522204.db2.gz DCUQVPRHPVSNKF-UHFFFAOYSA-N 1 2 246.318 0.864 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](CCCCCF)C2 ZINC000375296336 387523298 /nfs/dbraw/zinc/52/32/98/387523298.db2.gz PUZGAMVXOQXHCZ-UHFFFAOYSA-N 1 2 242.298 0.537 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](CCCCCF)C2 ZINC000375296336 387523302 /nfs/dbraw/zinc/52/33/02/387523302.db2.gz PUZGAMVXOQXHCZ-UHFFFAOYSA-N 1 2 242.298 0.537 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C)nc2ccccn21 ZINC000355355817 387523407 /nfs/dbraw/zinc/52/34/07/387523407.db2.gz WOQRNMULLBZVEW-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C)nc2ccccn21 ZINC000355355817 387523409 /nfs/dbraw/zinc/52/34/09/387523409.db2.gz WOQRNMULLBZVEW-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)[C@H](C)CO1 ZINC000192774669 387531918 /nfs/dbraw/zinc/53/19/18/387531918.db2.gz XWUJHYMIDJEQQV-RKDXNWHRSA-N 1 2 247.302 0.977 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccncn1 ZINC000397037907 387533820 /nfs/dbraw/zinc/53/38/20/387533820.db2.gz GZSQHQDIEMPQAM-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccncn1 ZINC000397037907 387533826 /nfs/dbraw/zinc/53/38/26/387533826.db2.gz GZSQHQDIEMPQAM-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CCCn1ncnc1C[NH2+][C@@](C)(CC)C(N)=O ZINC000310169179 387534448 /nfs/dbraw/zinc/53/44/48/387534448.db2.gz ONMXVCYVLNTVES-NSHDSACASA-N 1 2 239.323 0.432 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC(F)(F)F ZINC000355446254 387538563 /nfs/dbraw/zinc/53/85/63/387538563.db2.gz XRXJMFXZDNIROB-RXMQYKEDSA-N 1 2 241.213 0.454 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCC(F)(F)F ZINC000355446254 387538567 /nfs/dbraw/zinc/53/85/67/387538567.db2.gz XRXJMFXZDNIROB-RXMQYKEDSA-N 1 2 241.213 0.454 20 0 BCADLO CC[N@H+](CCCO)[C@@H](C)c1nnnn1C1CC1 ZINC000361833188 387540096 /nfs/dbraw/zinc/54/00/96/387540096.db2.gz MUGRDNVNIBHCST-VIFPVBQESA-N 1 2 239.323 0.773 20 0 BCADLO CC[N@@H+](CCCO)[C@@H](C)c1nnnn1C1CC1 ZINC000361833188 387540101 /nfs/dbraw/zinc/54/01/01/387540101.db2.gz MUGRDNVNIBHCST-VIFPVBQESA-N 1 2 239.323 0.773 20 0 BCADLO CO[C@H]1CC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834868 387541171 /nfs/dbraw/zinc/54/11/71/387541171.db2.gz XNHUOZCHWKZHKM-SCZZXKLOSA-N 1 2 237.307 0.790 20 0 BCADLO CO[C@H]1CC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834868 387541172 /nfs/dbraw/zinc/54/11/72/387541172.db2.gz XNHUOZCHWKZHKM-SCZZXKLOSA-N 1 2 237.307 0.790 20 0 BCADLO CS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151129315 387463598 /nfs/dbraw/zinc/46/35/98/387463598.db2.gz XXJNCOFVMGUKJK-JTQLQIEISA-N 1 2 242.300 0.494 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H](C)O)n1C ZINC000304322472 387464715 /nfs/dbraw/zinc/46/47/15/387464715.db2.gz PUFDQIVFCVFKOJ-SECBINFHSA-N 1 2 226.324 0.751 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C[C@@H](C)O)n1C ZINC000304322472 387464718 /nfs/dbraw/zinc/46/47/18/387464718.db2.gz PUFDQIVFCVFKOJ-SECBINFHSA-N 1 2 226.324 0.751 20 0 BCADLO COC[C@H](CC(C)C)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000355048800 387469574 /nfs/dbraw/zinc/46/95/74/387469574.db2.gz FOCPNKHKUJXIGG-DCAQKATOSA-N 1 2 247.335 0.560 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[C@H]1O ZINC000424056925 387472144 /nfs/dbraw/zinc/47/21/44/387472144.db2.gz ALQBJDKDOVXBSX-NXEZZACHSA-N 1 2 238.291 0.096 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H]1O ZINC000424062186 387474133 /nfs/dbraw/zinc/47/41/33/387474133.db2.gz GNQNXUVOEQLMIP-OPRDCNLKSA-N 1 2 238.291 0.094 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361508075 387475728 /nfs/dbraw/zinc/47/57/28/387475728.db2.gz IOFRVNUBXDFHBI-JFGNBEQYSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361508075 387475733 /nfs/dbraw/zinc/47/57/33/387475733.db2.gz IOFRVNUBXDFHBI-JFGNBEQYSA-N 1 2 243.303 0.428 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355080602 387476932 /nfs/dbraw/zinc/47/69/32/387476932.db2.gz ZMBJYNYZWIVSJG-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355080602 387476937 /nfs/dbraw/zinc/47/69/37/387476937.db2.gz ZMBJYNYZWIVSJG-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO COC1(C)CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000361521651 387479465 /nfs/dbraw/zinc/47/94/65/387479465.db2.gz GQZVWAPWEKVUOE-VIFPVBQESA-N 1 2 239.323 0.772 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000355122503 387482217 /nfs/dbraw/zinc/48/22/17/387482217.db2.gz MHOBCZSSGRXQAX-AXFHLTTASA-N 1 2 245.319 0.579 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374699423 387483496 /nfs/dbraw/zinc/48/34/96/387483496.db2.gz LLAXEERDTGJVLM-WDEREUQCSA-N 1 2 249.314 0.959 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c(C)s1 ZINC000352797946 387489214 /nfs/dbraw/zinc/48/92/14/387489214.db2.gz WQMGQPFCIJVSAX-GHMZBOCLSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@H]2O)c(C)s1 ZINC000352797946 387489218 /nfs/dbraw/zinc/48/92/18/387489218.db2.gz WQMGQPFCIJVSAX-GHMZBOCLSA-N 1 2 242.344 0.951 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355163278 387490190 /nfs/dbraw/zinc/49/01/90/387490190.db2.gz IOLWWGZLZAPBJO-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355163278 387490194 /nfs/dbraw/zinc/49/01/94/387490194.db2.gz IOLWWGZLZAPBJO-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352802723 387491765 /nfs/dbraw/zinc/49/17/65/387491765.db2.gz WIQLMKTWXDIGNV-RYUDHWBXSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352802723 387491768 /nfs/dbraw/zinc/49/17/68/387491768.db2.gz WIQLMKTWXDIGNV-RYUDHWBXSA-N 1 2 239.319 0.656 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cnc[nH]1 ZINC000361561715 387492978 /nfs/dbraw/zinc/49/29/78/387492978.db2.gz GFFRXKXXZCSJBX-GXSJLCMTSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnc[nH]1 ZINC000361561715 387492981 /nfs/dbraw/zinc/49/29/81/387492981.db2.gz GFFRXKXXZCSJBX-GXSJLCMTSA-N 1 2 225.292 0.381 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000516311051 387493470 /nfs/dbraw/zinc/49/34/70/387493470.db2.gz RHKMRRWQOCSQNA-HTQZYQBOSA-N 1 2 249.270 0.540 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C)CC1 ZINC000362220012 387585818 /nfs/dbraw/zinc/58/58/18/387585818.db2.gz LRLSWSYYMFENFJ-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CSc1nc(=O)n(Cc2[nH+]ccn2C)[nH]1 ZINC000355932092 387595798 /nfs/dbraw/zinc/59/57/98/387595798.db2.gz LKRZJIJOXFDSNZ-UHFFFAOYSA-N 1 2 225.277 0.075 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C)CC1 ZINC000123985407 387600646 /nfs/dbraw/zinc/60/06/46/387600646.db2.gz XXLTVVDFQQHFSX-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000123953267 387601372 /nfs/dbraw/zinc/60/13/72/387601372.db2.gz MGQSFJIXRGBSCX-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000123953267 387601375 /nfs/dbraw/zinc/60/13/75/387601375.db2.gz MGQSFJIXRGBSCX-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO C[C@@H](CC(N)=O)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000362362572 387602461 /nfs/dbraw/zinc/60/24/61/387602461.db2.gz OZGFCCOHBFCEEJ-QMMMGPOBSA-N 1 2 246.270 0.328 20 0 BCADLO c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000362381113 387605508 /nfs/dbraw/zinc/60/55/08/387605508.db2.gz VCWXKQNYAJOUNR-PHIMTYICSA-N 1 2 205.261 0.840 20 0 BCADLO c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000362381113 387605513 /nfs/dbraw/zinc/60/55/13/387605513.db2.gz VCWXKQNYAJOUNR-PHIMTYICSA-N 1 2 205.261 0.840 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnnn2C)CCS1 ZINC000362393537 387608361 /nfs/dbraw/zinc/60/83/61/387608361.db2.gz PFOWXJQBEUUKDI-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnnn2C)CCS1 ZINC000362393537 387608368 /nfs/dbraw/zinc/60/83/68/387608368.db2.gz PFOWXJQBEUUKDI-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO CCC(F)(F)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000639889239 387619932 /nfs/dbraw/zinc/61/99/32/387619932.db2.gz BOKOLQGEHVQOFW-IUCAKERBSA-N 1 2 223.263 0.564 20 0 BCADLO O=C1OCC[C@@H]2CC[N@@H+](CCOCC(F)F)[C@@H]12 ZINC000376411006 387629570 /nfs/dbraw/zinc/62/95/70/387629570.db2.gz CJTRFRLUWNOLEH-WCBMZHEXSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@@H]2CC[N@H+](CCOCC(F)F)[C@@H]12 ZINC000376411006 387629574 /nfs/dbraw/zinc/62/95/74/387629574.db2.gz CJTRFRLUWNOLEH-WCBMZHEXSA-N 1 2 249.257 0.906 20 0 BCADLO CCN(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376317129 387620899 /nfs/dbraw/zinc/62/08/99/387620899.db2.gz SCRNQJFFGXDCKY-LLVKDONJSA-N 1 2 241.335 0.465 20 0 BCADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)nn1C ZINC000305680138 387625858 /nfs/dbraw/zinc/62/58/58/387625858.db2.gz UVCOQOYZIAHRHC-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)nn1C ZINC000305680138 387625862 /nfs/dbraw/zinc/62/58/62/387625862.db2.gz UVCOQOYZIAHRHC-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000361866040 387546110 /nfs/dbraw/zinc/54/61/10/387546110.db2.gz SAZAWEMNXQJDEC-SECBINFHSA-N 1 2 225.317 0.386 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000361866040 387546113 /nfs/dbraw/zinc/54/61/13/387546113.db2.gz SAZAWEMNXQJDEC-SECBINFHSA-N 1 2 225.317 0.386 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000426238468 387550961 /nfs/dbraw/zinc/55/09/61/387550961.db2.gz LLQBXHLDCCNAQQ-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000426238468 387550964 /nfs/dbraw/zinc/55/09/64/387550964.db2.gz LLQBXHLDCCNAQQ-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000362014173 387561986 /nfs/dbraw/zinc/56/19/86/387561986.db2.gz LLRNDIVAFROLRQ-VHSXEESVSA-N 1 2 241.291 0.662 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cncnc1 ZINC000362071640 387567429 /nfs/dbraw/zinc/56/74/29/387567429.db2.gz ZJOXJETUEJWDMR-RFAUZJTJSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cncnc1 ZINC000362071640 387567433 /nfs/dbraw/zinc/56/74/33/387567433.db2.gz ZJOXJETUEJWDMR-RFAUZJTJSA-N 1 2 227.333 0.675 20 0 BCADLO CCOC[C@H](O)C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362079906 387569212 /nfs/dbraw/zinc/56/92/12/387569212.db2.gz VWZOTPKPPPFNGK-GMTAPVOTSA-N 1 2 249.376 0.225 20 0 BCADLO c1nc([C@@H]2CCC[N@@H+]2[C@H]2CCOC2)no1 ZINC000375698236 387569722 /nfs/dbraw/zinc/56/97/22/387569722.db2.gz PUMBLNKGLPMJDR-IUCAKERBSA-N 1 2 209.249 0.995 20 0 BCADLO c1nc([C@@H]2CCC[N@H+]2[C@H]2CCOC2)no1 ZINC000375698236 387569726 /nfs/dbraw/zinc/56/97/26/387569726.db2.gz PUMBLNKGLPMJDR-IUCAKERBSA-N 1 2 209.249 0.995 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332903517 387574211 /nfs/dbraw/zinc/57/42/11/387574211.db2.gz XEPOECSGSCBCKQ-BXKDBHETSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332903517 387574215 /nfs/dbraw/zinc/57/42/15/387574215.db2.gz XEPOECSGSCBCKQ-BXKDBHETSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193493762 387574493 /nfs/dbraw/zinc/57/44/93/387574493.db2.gz ZIQZPOKIELNYCE-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193493762 387574499 /nfs/dbraw/zinc/57/44/99/387574499.db2.gz ZIQZPOKIELNYCE-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399887632 387575112 /nfs/dbraw/zinc/57/51/12/387575112.db2.gz GTFCLACMYQHTGC-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCOC[C@H](O)C1 ZINC000399887632 387575114 /nfs/dbraw/zinc/57/51/14/387575114.db2.gz GTFCLACMYQHTGC-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362561608 387630242 /nfs/dbraw/zinc/63/02/42/387630242.db2.gz QDPNOIOLWHCFLM-BXKDBHETSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362561608 387630249 /nfs/dbraw/zinc/63/02/49/387630249.db2.gz QDPNOIOLWHCFLM-BXKDBHETSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@](O)(C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000362569815 387632979 /nfs/dbraw/zinc/63/29/79/387632979.db2.gz PDLSOEGMLWOUGC-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000356290500 387638716 /nfs/dbraw/zinc/63/87/16/387638716.db2.gz BOVUCXIJPAKJEY-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000356290500 387638718 /nfs/dbraw/zinc/63/87/18/387638718.db2.gz BOVUCXIJPAKJEY-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000356290500 387638720 /nfs/dbraw/zinc/63/87/20/387638720.db2.gz BOVUCXIJPAKJEY-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000356290500 387638725 /nfs/dbraw/zinc/63/87/25/387638725.db2.gz BOVUCXIJPAKJEY-NSHDSACASA-N 1 2 241.335 0.936 20 0 BCADLO CCN(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356355592 387647388 /nfs/dbraw/zinc/64/73/88/387647388.db2.gz MOZWPUKJVYAQHL-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCN(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356355592 387647392 /nfs/dbraw/zinc/64/73/92/387647392.db2.gz MOZWPUKJVYAQHL-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H](O)C(F)(F)F ZINC000305782820 387652441 /nfs/dbraw/zinc/65/24/41/387652441.db2.gz VSLJKEDISUESDY-ZCFIWIBFSA-N 1 2 223.198 0.765 20 0 BCADLO CO[C@@H]1C[NH+](Cc2[nH]ncc2C)C[C@H]1OC ZINC000356411034 387656113 /nfs/dbraw/zinc/65/61/13/387656113.db2.gz WXPGQCYTBLPMOV-GHMZBOCLSA-N 1 2 225.292 0.564 20 0 BCADLO C[C@@H](CNC(=O)c1cn(C)nn1)Cn1cc[nH+]c1 ZINC000362817589 387662187 /nfs/dbraw/zinc/66/21/87/387662187.db2.gz MNABWFDOCRLORM-VIFPVBQESA-N 1 2 248.290 0.078 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000356508619 387665051 /nfs/dbraw/zinc/66/50/51/387665051.db2.gz ZXEQUOLYYHTADA-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@H]1C ZINC000356508619 387665052 /nfs/dbraw/zinc/66/50/52/387665052.db2.gz ZXEQUOLYYHTADA-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 ZINC000430998957 387667544 /nfs/dbraw/zinc/66/75/44/387667544.db2.gz AFYVTQGAXTYPEJ-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1COCCO1 ZINC000430998957 387667549 /nfs/dbraw/zinc/66/75/49/387667549.db2.gz AFYVTQGAXTYPEJ-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)C(C)(C)[N@H+](C)C[C@@H]1COCCO1 ZINC000430985836 387668398 /nfs/dbraw/zinc/66/83/98/387668398.db2.gz AHXGYQQBJJTMME-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C(C)(C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000430985836 387668404 /nfs/dbraw/zinc/66/84/04/387668404.db2.gz AHXGYQQBJJTMME-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CCNC(=O)CN1CC[NH+](C[C@@H](F)CC)CC1 ZINC000440706221 387673571 /nfs/dbraw/zinc/67/35/71/387673571.db2.gz RBPOKUDMGRCOAD-NSHDSACASA-N 1 2 245.342 0.488 20 0 BCADLO CCn1nncc1C[NH2+]Cc1cccc(OC)n1 ZINC000527726713 387676913 /nfs/dbraw/zinc/67/69/13/387676913.db2.gz DARSVMHQKVJOOT-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(=O)COC)CC1 ZINC000440717935 387681409 /nfs/dbraw/zinc/68/14/09/387681409.db2.gz WBPNDKPPTSBTMX-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO OCc1nnc2n1CC[N@@H+](CC1=CCCC1)C2 ZINC000645832362 387682962 /nfs/dbraw/zinc/68/29/62/387682962.db2.gz CGHOHISEQGEFFN-UHFFFAOYSA-N 1 2 234.303 0.696 20 0 BCADLO OCc1nnc2n1CC[N@H+](CC1=CCCC1)C2 ZINC000645832362 387682968 /nfs/dbraw/zinc/68/29/68/387682968.db2.gz CGHOHISEQGEFFN-UHFFFAOYSA-N 1 2 234.303 0.696 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccncc2)n1 ZINC000527736199 387684695 /nfs/dbraw/zinc/68/46/95/387684695.db2.gz QQNZDEORWGJMAT-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nnnn3C)C2)c1 ZINC000377716283 387744470 /nfs/dbraw/zinc/74/44/70/387744470.db2.gz GDDABXDVNMOJAZ-JTQLQIEISA-N 1 2 247.306 0.162 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3nnnn3C)C2)c1 ZINC000377716283 387744476 /nfs/dbraw/zinc/74/44/76/387744476.db2.gz GDDABXDVNMOJAZ-JTQLQIEISA-N 1 2 247.306 0.162 20 0 BCADLO Cc1noc(C(C)(C)NC(=O)Cn2cc[nH+]c2)n1 ZINC000356914692 387746046 /nfs/dbraw/zinc/74/60/46/387746046.db2.gz IZNAQVKLBLYIMZ-UHFFFAOYSA-N 1 2 249.274 0.626 20 0 BCADLO CC[N@H+](CCCO)Cc1nnnn1C1CC1 ZINC000128478790 387746939 /nfs/dbraw/zinc/74/69/39/387746939.db2.gz TVYWWLDQPAAOAW-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO CC[N@@H+](CCCO)Cc1nnnn1C1CC1 ZINC000128478790 387746944 /nfs/dbraw/zinc/74/69/44/387746944.db2.gz TVYWWLDQPAAOAW-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000441353450 387751093 /nfs/dbraw/zinc/75/10/93/387751093.db2.gz ZNQZMOOXLPIHPP-JGVFFNPUSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000441353450 387751095 /nfs/dbraw/zinc/75/10/95/387751095.db2.gz ZNQZMOOXLPIHPP-JGVFFNPUSA-N 1 2 226.280 0.510 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000440791611 387698182 /nfs/dbraw/zinc/69/81/82/387698182.db2.gz OYEKQQWMMYCFHD-YUMQZZPRSA-N 1 2 220.313 0.637 20 0 BCADLO CC[C@H](F)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000440791611 387698187 /nfs/dbraw/zinc/69/81/87/387698187.db2.gz OYEKQQWMMYCFHD-YUMQZZPRSA-N 1 2 220.313 0.637 20 0 BCADLO COC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000363236745 387698280 /nfs/dbraw/zinc/69/82/80/387698280.db2.gz YAQWEJITKSOKEL-UHFFFAOYSA-N 1 2 235.283 0.279 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000440791609 387700179 /nfs/dbraw/zinc/70/01/79/387700179.db2.gz OYEKQQWMMYCFHD-JGVFFNPUSA-N 1 2 220.313 0.637 20 0 BCADLO CC[C@H](F)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000440791609 387700183 /nfs/dbraw/zinc/70/01/83/387700183.db2.gz OYEKQQWMMYCFHD-JGVFFNPUSA-N 1 2 220.313 0.637 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](C3CC3)C2)n1 ZINC000440792887 387702208 /nfs/dbraw/zinc/70/22/08/387702208.db2.gz ULKLCSOEHKIURJ-VIFPVBQESA-N 1 2 207.281 0.442 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000440792887 387702216 /nfs/dbraw/zinc/70/22/16/387702216.db2.gz ULKLCSOEHKIURJ-VIFPVBQESA-N 1 2 207.281 0.442 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccccn2)n1 ZINC000527738196 387704293 /nfs/dbraw/zinc/70/42/93/387704293.db2.gz XVBAYTBPHXIUHY-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)on1 ZINC000431389570 387704713 /nfs/dbraw/zinc/70/47/13/387704713.db2.gz HIODSJLYHYBGLF-UHFFFAOYSA-N 1 2 239.275 0.506 20 0 BCADLO C[C@@H](F)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356733176 387710225 /nfs/dbraw/zinc/71/02/25/387710225.db2.gz UBZJBCVFYWNHCQ-ZJUUUORDSA-N 1 2 232.299 0.571 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367478040 387716263 /nfs/dbraw/zinc/71/62/63/387716263.db2.gz XNQCQQZPFJPNJE-SFYZADRCSA-N 1 2 236.262 0.117 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000367478041 387716281 /nfs/dbraw/zinc/71/62/81/387716281.db2.gz XNQCQQZPFJPNJE-YUMQZZPRSA-N 1 2 236.262 0.117 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000377465987 387719746 /nfs/dbraw/zinc/71/97/46/387719746.db2.gz UOKLCEXDUZTLER-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO CC(C)c1nc(N2C[C@@H](O)C[C@@H]2CO)cc[nH+]1 ZINC000367535920 387720677 /nfs/dbraw/zinc/72/06/77/387720677.db2.gz NIPKDGUZJATQBF-ZJUUUORDSA-N 1 2 237.303 0.532 20 0 BCADLO CC[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356796263 387721568 /nfs/dbraw/zinc/72/15/68/387721568.db2.gz FPRBWTJSBVSRRD-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CCC[C@]1(CO)CC[N@H+](Cc2ncnn2C)C1 ZINC000377553759 387727917 /nfs/dbraw/zinc/72/79/17/387727917.db2.gz JUAWINGFPLKISN-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CCC[C@]1(CO)CC[N@@H+](Cc2ncnn2C)C1 ZINC000377553759 387727922 /nfs/dbraw/zinc/72/79/22/387727922.db2.gz JUAWINGFPLKISN-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452081426 387729708 /nfs/dbraw/zinc/72/97/08/387729708.db2.gz IOTSDVOGBDLSIN-BDAKNGLRSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452081426 387729711 /nfs/dbraw/zinc/72/97/11/387729711.db2.gz IOTSDVOGBDLSIN-BDAKNGLRSA-N 1 2 218.272 0.311 20 0 BCADLO Cn1nnc(C[NH2+]C2CC(c3ccccn3)C2)n1 ZINC000377700361 387739189 /nfs/dbraw/zinc/73/91/89/387739189.db2.gz RHKKUEGRIQGUSJ-UHFFFAOYSA-N 1 2 244.302 0.641 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cnns2)CC[N@H+]1C ZINC000356882728 387739574 /nfs/dbraw/zinc/73/95/74/387739574.db2.gz PUMQUZIDXGVQTB-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cnns2)CC[N@@H+]1C ZINC000356882728 387739579 /nfs/dbraw/zinc/73/95/79/387739579.db2.gz PUMQUZIDXGVQTB-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000441467340 387762607 /nfs/dbraw/zinc/76/26/07/387762607.db2.gz OZJGOUHGYRWRSR-QLJPJBMISA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000441467340 387762611 /nfs/dbraw/zinc/76/26/11/387762611.db2.gz OZJGOUHGYRWRSR-QLJPJBMISA-N 1 2 247.360 0.781 20 0 BCADLO C[C@@H]1C[N@H+](CC2(C)COC2)CC[S@]1=O ZINC000441488858 387765118 /nfs/dbraw/zinc/76/51/18/387765118.db2.gz RODKLKVGEJXRNM-YMTOWFKASA-N 1 2 217.334 0.476 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(C)COC2)CC[S@]1=O ZINC000441488858 387765125 /nfs/dbraw/zinc/76/51/25/387765125.db2.gz RODKLKVGEJXRNM-YMTOWFKASA-N 1 2 217.334 0.476 20 0 BCADLO Cn1cnc(C(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000378277174 387775120 /nfs/dbraw/zinc/77/51/20/387775120.db2.gz ZBDAWPGCDCQHRX-UHFFFAOYSA-N 1 2 245.286 0.352 20 0 BCADLO Cn1nccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378344716 387779594 /nfs/dbraw/zinc/77/95/94/387779594.db2.gz BXPTWURNDXWBBJ-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO Cn1nccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378344716 387779600 /nfs/dbraw/zinc/77/96/00/387779600.db2.gz BXPTWURNDXWBBJ-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO CCCC[N@H+](CCO)Cc1nnc(C)n1C ZINC000048347036 387781422 /nfs/dbraw/zinc/78/14/22/387781422.db2.gz SUGPIBXCUIEAAR-UHFFFAOYSA-N 1 2 226.324 0.718 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nnc(C)n1C ZINC000048347036 387781426 /nfs/dbraw/zinc/78/14/26/387781426.db2.gz SUGPIBXCUIEAAR-UHFFFAOYSA-N 1 2 226.324 0.718 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)NC[C@@H]2C1 ZINC000527916843 387787736 /nfs/dbraw/zinc/78/77/36/387787736.db2.gz UOMYQHQDHGAICU-SECBINFHSA-N 1 2 248.286 0.304 20 0 BCADLO CCOC1(C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000452285003 387790897 /nfs/dbraw/zinc/79/08/97/387790897.db2.gz NQVDJJPBWYZHPK-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO Cn1cc[nH+]c1CN1CCOC[C@]12CCOC2 ZINC000193665723 387799908 /nfs/dbraw/zinc/79/99/08/387799908.db2.gz SNYKTMWJUGPGGR-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cc[nH+]c1CN1CCOC[C@@]12CCOC2 ZINC000193665709 387800567 /nfs/dbraw/zinc/80/05/67/387800567.db2.gz SNYKTMWJUGPGGR-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CN(C)c1ncc(CNc2c[nH]c[nH+]2)cn1 ZINC000309476922 387804864 /nfs/dbraw/zinc/80/48/64/387804864.db2.gz SAEXOPCAYXCFGG-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)C(=O)OC ZINC000432630327 387805503 /nfs/dbraw/zinc/80/55/03/387805503.db2.gz JTZDETDWSGYGAQ-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO CC(C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000432641508 387805841 /nfs/dbraw/zinc/80/58/41/387805841.db2.gz BIMNRSATDVSIJO-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000378027436 387761611 /nfs/dbraw/zinc/76/16/11/387761611.db2.gz QHCPZORNLTXUSM-AXFHLTTASA-N 1 2 235.287 0.461 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000248992511 387831633 /nfs/dbraw/zinc/83/16/33/387831633.db2.gz XIHABCDCYBTQGP-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000248992511 387831636 /nfs/dbraw/zinc/83/16/36/387831636.db2.gz XIHABCDCYBTQGP-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1cc(N2CC[S@](=O)C[C@H](C)C2)nc[nH+]1 ZINC000432882430 387835310 /nfs/dbraw/zinc/83/53/10/387835310.db2.gz ZPGPGKBXZIIJBX-ABKXIKBNSA-N 1 2 239.344 0.990 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncccn1 ZINC000432926362 387838389 /nfs/dbraw/zinc/83/83/89/387838389.db2.gz FXFYVLLPQUWVRQ-NSHDSACASA-N 1 2 236.319 0.634 20 0 BCADLO CO[C@H]1C[NH+](Cc2cocn2)C[C@@H]1OC ZINC000432928450 387843583 /nfs/dbraw/zinc/84/35/83/387843583.db2.gz RXFACTFNVVJKOR-UWVGGRQHSA-N 1 2 212.249 0.520 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCCF)CCO1 ZINC000151469149 387845120 /nfs/dbraw/zinc/84/51/20/387845120.db2.gz OKZBTDLAQYTBQG-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000151469149 387845123 /nfs/dbraw/zinc/84/51/23/387845123.db2.gz OKZBTDLAQYTBQG-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@H](C)CC ZINC000061783695 387848011 /nfs/dbraw/zinc/84/80/11/387848011.db2.gz UNZURBGFLSCWJQ-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@H](C)CC ZINC000061783695 387848014 /nfs/dbraw/zinc/84/80/14/387848014.db2.gz UNZURBGFLSCWJQ-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ncccn1 ZINC000433155273 387873981 /nfs/dbraw/zinc/87/39/81/387873981.db2.gz XMZYPXJAJPYUJQ-LLVKDONJSA-N 1 2 239.319 0.694 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ncccn1 ZINC000433155273 387873984 /nfs/dbraw/zinc/87/39/84/387873984.db2.gz XMZYPXJAJPYUJQ-LLVKDONJSA-N 1 2 239.319 0.694 20 0 BCADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC000582579849 387851294 /nfs/dbraw/zinc/85/12/94/387851294.db2.gz RDBOHNFIGDTFHO-GHMZBOCLSA-N 1 2 237.303 0.767 20 0 BCADLO C[C@@H]1CC[S@](=O)CCN1Cc1[nH+]ccn1C ZINC000433029499 387853739 /nfs/dbraw/zinc/85/37/39/387853739.db2.gz SGKIHZJBIOVLIU-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO c1cnn(CC[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193700209 387861445 /nfs/dbraw/zinc/86/14/45/387861445.db2.gz CGLGOQGCJSQFRA-LBPRGKRZSA-N 1 2 237.303 0.374 20 0 BCADLO c1cnn(CC[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193700209 387861451 /nfs/dbraw/zinc/86/14/51/387861451.db2.gz CGLGOQGCJSQFRA-LBPRGKRZSA-N 1 2 237.303 0.374 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1c[nH+]c[nH]1 ZINC000433131322 387869404 /nfs/dbraw/zinc/86/94/04/387869404.db2.gz KAAPRTFILAFVMI-SNVBAGLBSA-N 1 2 211.265 0.577 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1c[nH]c[nH+]1 ZINC000433131322 387869408 /nfs/dbraw/zinc/86/94/08/387869408.db2.gz KAAPRTFILAFVMI-SNVBAGLBSA-N 1 2 211.265 0.577 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1O ZINC000432783129 387818527 /nfs/dbraw/zinc/81/85/27/387818527.db2.gz XXCRDSMIYKHSLG-RKDXNWHRSA-N 1 2 238.335 0.915 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1O ZINC000432783129 387818532 /nfs/dbraw/zinc/81/85/32/387818532.db2.gz XXCRDSMIYKHSLG-RKDXNWHRSA-N 1 2 238.335 0.915 20 0 BCADLO CCC[C@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000448693759 387875825 /nfs/dbraw/zinc/87/58/25/387875825.db2.gz GLBWGCFYKMYEDG-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000444643412 387898625 /nfs/dbraw/zinc/89/86/25/387898625.db2.gz VTSIMIIOZFGUKZ-GDLVEWKHSA-N 1 2 249.376 0.227 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000444643412 387898628 /nfs/dbraw/zinc/89/86/28/387898628.db2.gz VTSIMIIOZFGUKZ-GDLVEWKHSA-N 1 2 249.376 0.227 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000194626608 387887843 /nfs/dbraw/zinc/88/78/43/387887843.db2.gz YMHSLSDLNCRTJB-VIFPVBQESA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000194626608 387887847 /nfs/dbraw/zinc/88/78/47/387887847.db2.gz YMHSLSDLNCRTJB-VIFPVBQESA-N 1 2 223.276 0.075 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC000175301399 387906722 /nfs/dbraw/zinc/90/67/22/387906722.db2.gz XGIFBEFGCNBAHA-SECBINFHSA-N 1 2 230.333 0.972 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC000175301399 387906724 /nfs/dbraw/zinc/90/67/24/387906724.db2.gz XGIFBEFGCNBAHA-SECBINFHSA-N 1 2 230.333 0.972 20 0 BCADLO C(C[NH+]1CCOCC1)O[C@H]1CCCCO1 ZINC000195229176 387910899 /nfs/dbraw/zinc/91/08/99/387910899.db2.gz HTGLBLKLTMDLMS-NSHDSACASA-N 1 2 215.293 0.862 20 0 BCADLO C(C[NH+]1CCOCC1)O[C@@H]1CCCCO1 ZINC000195229169 387911455 /nfs/dbraw/zinc/91/14/55/387911455.db2.gz HTGLBLKLTMDLMS-LLVKDONJSA-N 1 2 215.293 0.862 20 0 BCADLO CCC1(NC(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000452849041 387930641 /nfs/dbraw/zinc/93/06/41/387930641.db2.gz QIZROLNCKDBJRK-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)(C)OCC(=O)NCc1c[nH+]c[nH]1 ZINC000158189812 387936695 /nfs/dbraw/zinc/93/66/95/387936695.db2.gz PBXRYCYTMVQKAO-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CC(C)(C)OCC(=O)NCc1c[nH]c[nH+]1 ZINC000158189812 387936699 /nfs/dbraw/zinc/93/66/99/387936699.db2.gz PBXRYCYTMVQKAO-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO COC[C@@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000445651742 387956152 /nfs/dbraw/zinc/95/61/52/387956152.db2.gz DWNAPXQNJHJFHS-NSHDSACASA-N 1 2 244.335 0.107 20 0 BCADLO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245384227 387942393 /nfs/dbraw/zinc/94/23/93/387942393.db2.gz UVWKMIXXDVNSTO-UWVGGRQHSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245384227 387942396 /nfs/dbraw/zinc/94/23/96/387942396.db2.gz UVWKMIXXDVNSTO-UWVGGRQHSA-N 1 2 233.333 0.284 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ncn(C)n1 ZINC000438544554 387942556 /nfs/dbraw/zinc/94/25/56/387942556.db2.gz JCTMIFCJFHSZNT-VHSXEESVSA-N 1 2 234.307 0.751 20 0 BCADLO COCCN(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222960 387942641 /nfs/dbraw/zinc/94/26/41/387942641.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 1 2 243.395 0.637 20 0 BCADLO COCCN(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222960 387942644 /nfs/dbraw/zinc/94/26/44/387942644.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 1 2 243.395 0.637 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000245456374 387946627 /nfs/dbraw/zinc/94/66/27/387946627.db2.gz BHUAFDAXYZVRMH-GHMZBOCLSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000245456374 387946631 /nfs/dbraw/zinc/94/66/31/387946631.db2.gz BHUAFDAXYZVRMH-GHMZBOCLSA-N 1 2 228.336 0.962 20 0 BCADLO C[N@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158476454 387950338 /nfs/dbraw/zinc/95/03/38/387950338.db2.gz RRMXQMUGJOKKKW-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO C[N@@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158476454 387950345 /nfs/dbraw/zinc/95/03/45/387950345.db2.gz RRMXQMUGJOKKKW-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO Cn1c[nH+]cc1Cn1ncc2c1C[C@@H](O)CC2 ZINC000438914615 387962414 /nfs/dbraw/zinc/96/24/14/387962414.db2.gz VECLILZWFPWDFE-NSHDSACASA-N 1 2 232.287 0.515 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245637887 387968989 /nfs/dbraw/zinc/96/89/89/387968989.db2.gz CNVNSIKQMVUMGI-WCQYABFASA-N 1 2 244.298 0.895 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245637887 387968993 /nfs/dbraw/zinc/96/89/93/387968993.db2.gz CNVNSIKQMVUMGI-WCQYABFASA-N 1 2 244.298 0.895 20 0 BCADLO COC[C@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000245700610 387974394 /nfs/dbraw/zinc/97/43/94/387974394.db2.gz XQPGRMAGLPODEQ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@H]1C[N@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000245700610 387974397 /nfs/dbraw/zinc/97/43/97/387974397.db2.gz XQPGRMAGLPODEQ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO O=C(C[N@@H+]1CCc2ncsc2C1)N1CCC1 ZINC000445876639 387977338 /nfs/dbraw/zinc/97/73/38/387977338.db2.gz XXLURYOXSJTBIF-UHFFFAOYSA-N 1 2 237.328 0.734 20 0 BCADLO O=C(C[N@H+]1CCc2ncsc2C1)N1CCC1 ZINC000445876639 387977342 /nfs/dbraw/zinc/97/73/42/387977342.db2.gz XXLURYOXSJTBIF-UHFFFAOYSA-N 1 2 237.328 0.734 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC2(C)C)CCO1 ZINC000533117954 387990637 /nfs/dbraw/zinc/99/06/37/387990637.db2.gz OUOMDPSSKSKQQJ-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC2(C)C)CCO1 ZINC000533117954 387990641 /nfs/dbraw/zinc/99/06/41/387990641.db2.gz OUOMDPSSKSKQQJ-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO COCc1nc(C[N@H+](CCO)C2CCC2)no1 ZINC000439296778 387991512 /nfs/dbraw/zinc/99/15/12/387991512.db2.gz KJRIOZKUBFQPBH-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@@H+](CCO)C2CCC2)no1 ZINC000439296778 387991514 /nfs/dbraw/zinc/99/15/14/387991514.db2.gz KJRIOZKUBFQPBH-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439286107 387991878 /nfs/dbraw/zinc/99/18/78/387991878.db2.gz LYAWPTGAOQJIIO-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439286107 387991882 /nfs/dbraw/zinc/99/18/82/387991882.db2.gz LYAWPTGAOQJIIO-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)[C@@H](C)O1 ZINC000446083361 387998371 /nfs/dbraw/zinc/99/83/71/387998371.db2.gz RDXVHLOXYOQDCS-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)[C@@H](C)O1 ZINC000446083361 387998372 /nfs/dbraw/zinc/99/83/72/387998372.db2.gz RDXVHLOXYOQDCS-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000300389685 388001358 /nfs/dbraw/zinc/00/13/58/388001358.db2.gz QGTVTRXNBOPDLT-SFYZADRCSA-N 1 2 225.296 0.113 20 0 BCADLO Cn1c[nH+]cc1CSC[C@@H](O)CO ZINC000086660133 135092493 /nfs/dbraw/zinc/09/24/93/135092493.db2.gz YVRNVLSAPZTFTO-QMMMGPOBSA-N 1 2 202.279 0.007 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246112845 388010482 /nfs/dbraw/zinc/01/04/82/388010482.db2.gz NUXNAENRCRJCGQ-NDBYEHHHSA-N 1 2 249.358 0.149 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446075635 387996736 /nfs/dbraw/zinc/99/67/36/387996736.db2.gz ABSQFWXWEIUDSL-AEJSXWLSSA-N 1 2 214.309 0.620 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446075635 387996744 /nfs/dbraw/zinc/99/67/44/387996744.db2.gz ABSQFWXWEIUDSL-AEJSXWLSSA-N 1 2 214.309 0.620 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000440499446 388044429 /nfs/dbraw/zinc/04/44/29/388044429.db2.gz NMISWUDTHSBONI-YIZRAAEISA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000440499446 388044431 /nfs/dbraw/zinc/04/44/31/388044431.db2.gz NMISWUDTHSBONI-YIZRAAEISA-N 1 2 219.256 0.343 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440271662 388037639 /nfs/dbraw/zinc/03/76/39/388037639.db2.gz ADJOPTVTHIBVBP-SSDOTTSWSA-N 1 2 229.230 0.827 20 0 BCADLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000082791829 388041578 /nfs/dbraw/zinc/04/15/78/388041578.db2.gz QKELMYUXUJCSIN-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO COC(=O)c1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000082791829 388041579 /nfs/dbraw/zinc/04/15/79/388041579.db2.gz QKELMYUXUJCSIN-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440529982 388052512 /nfs/dbraw/zinc/05/25/12/388052512.db2.gz XSKDCMXQZJQGNX-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440529982 388052514 /nfs/dbraw/zinc/05/25/14/388052514.db2.gz XSKDCMXQZJQGNX-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@H](F)C[N@H+](CCOC)CC(=O)N(C)C ZINC000440697433 388068960 /nfs/dbraw/zinc/06/89/60/388068960.db2.gz VXAAAOYTLHAGIJ-JTQLQIEISA-N 1 2 234.315 0.771 20 0 BCADLO CC[C@H](F)C[N@@H+](CCOC)CC(=O)N(C)C ZINC000440697433 388068963 /nfs/dbraw/zinc/06/89/63/388068963.db2.gz VXAAAOYTLHAGIJ-JTQLQIEISA-N 1 2 234.315 0.771 20 0 BCADLO OC[C@H]1CCCC[N@@H+]1Cc1ncnn1CCF ZINC000440697805 388069733 /nfs/dbraw/zinc/06/97/33/388069733.db2.gz WSFJXJPUEAQTOL-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO OC[C@H]1CCCC[N@H+]1Cc1ncnn1CCF ZINC000440697805 388069738 /nfs/dbraw/zinc/06/97/38/388069738.db2.gz WSFJXJPUEAQTOL-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO CCOC(=O)C[N@H+](C)CC1(CC(=O)OC)CC1 ZINC000440697920 388069753 /nfs/dbraw/zinc/06/97/53/388069753.db2.gz NGXYFLLQIQWYJO-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC1(CC(=O)OC)CC1 ZINC000440697920 388069760 /nfs/dbraw/zinc/06/97/60/388069760.db2.gz NGXYFLLQIQWYJO-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CCC[N@H+](CC(=O)NC)[C@@H](CC)C(=O)OCC ZINC000084120722 388072187 /nfs/dbraw/zinc/07/21/87/388072187.db2.gz JBBIJGVNZJQKKI-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCC[N@@H+](CC(=O)NC)[C@@H](CC)C(=O)OCC ZINC000084120722 388072188 /nfs/dbraw/zinc/07/21/88/388072188.db2.gz JBBIJGVNZJQKKI-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCOCCNC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000084695838 388080162 /nfs/dbraw/zinc/08/01/62/388080162.db2.gz IHLMWXDMICQSDZ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)n(C)n1 ZINC000085165731 388084361 /nfs/dbraw/zinc/08/43/61/388084361.db2.gz BNJXFSXCJLDNER-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)n(C)n1 ZINC000085165731 388084362 /nfs/dbraw/zinc/08/43/62/388084362.db2.gz BNJXFSXCJLDNER-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CCOC(=O)C1(C[NH2+][C@@H](CC)C(=O)OC)CC1 ZINC000447795935 388092491 /nfs/dbraw/zinc/09/24/91/388092491.db2.gz RFLOGNUNCFKXIP-VIFPVBQESA-N 1 2 243.303 0.871 20 0 BCADLO CCOC(=O)C1(C[NH2+][C@H](CC)C(=O)OC)CC1 ZINC000447795934 388093063 /nfs/dbraw/zinc/09/30/63/388093063.db2.gz RFLOGNUNCFKXIP-SECBINFHSA-N 1 2 243.303 0.871 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CC1(CO)CC1 ZINC000447878359 388099344 /nfs/dbraw/zinc/09/93/44/388099344.db2.gz LOFGFUCJTIAMAP-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CC1(CO)CC1 ZINC000447878359 388099348 /nfs/dbraw/zinc/09/93/48/388099348.db2.gz LOFGFUCJTIAMAP-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO Cc1ccnc(C[NH2+][C@H](CO)[C@@H]2CCCO2)n1 ZINC000447917712 388103852 /nfs/dbraw/zinc/10/38/52/388103852.db2.gz YJYKDZWBFCLOJE-MNOVXSKESA-N 1 2 237.303 0.415 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000440506542 388047165 /nfs/dbraw/zinc/04/71/65/388047165.db2.gz QNLNPOQZSHSANU-DTWKUNHWSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000440506542 388047167 /nfs/dbraw/zinc/04/71/67/388047167.db2.gz QNLNPOQZSHSANU-DTWKUNHWSA-N 1 2 202.273 0.897 20 0 BCADLO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1c[nH]nn1 ZINC000646142188 388155845 /nfs/dbraw/zinc/15/58/45/388155845.db2.gz APBNFGKFPMYBSF-LLVKDONJSA-N 1 2 245.286 0.429 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCCOC1 ZINC000646149028 388156999 /nfs/dbraw/zinc/15/69/99/388156999.db2.gz KUISUOIHTCHUGT-UHFFFAOYSA-N 1 2 223.276 0.870 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000151884780 388170252 /nfs/dbraw/zinc/17/02/52/388170252.db2.gz CTTYKWWVOPMJCP-NWDGAFQWSA-N 1 2 236.315 0.494 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000151884780 388170253 /nfs/dbraw/zinc/17/02/53/388170253.db2.gz CTTYKWWVOPMJCP-NWDGAFQWSA-N 1 2 236.315 0.494 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260982 388172604 /nfs/dbraw/zinc/17/26/04/388172604.db2.gz VVJQYMFNUBIHKC-DTWKUNHWSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260982 388172606 /nfs/dbraw/zinc/17/26/06/388172606.db2.gz VVJQYMFNUBIHKC-DTWKUNHWSA-N 1 2 235.287 0.719 20 0 BCADLO CSC[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000488559809 388188363 /nfs/dbraw/zinc/18/83/63/388188363.db2.gz IZAWYVVQKZSJHQ-SSDOTTSWSA-N 1 2 241.303 0.676 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449339028 388176109 /nfs/dbraw/zinc/17/61/09/388176109.db2.gz IMWRBTGRQRKVKM-JTQLQIEISA-N 1 2 238.291 0.435 20 0 BCADLO CC[C@H]1CC[N@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449339028 388176110 /nfs/dbraw/zinc/17/61/10/388176110.db2.gz IMWRBTGRQRKVKM-JTQLQIEISA-N 1 2 238.291 0.435 20 0 BCADLO CC/C=C\CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000454446740 388118328 /nfs/dbraw/zinc/11/83/28/388118328.db2.gz UWPRCFJPBPRSFH-DOGVGXBMSA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C\CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000454446740 388118330 /nfs/dbraw/zinc/11/83/30/388118330.db2.gz UWPRCFJPBPRSFH-DOGVGXBMSA-N 1 2 241.335 0.582 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC1(F)F ZINC000448906020 388119303 /nfs/dbraw/zinc/11/93/03/388119303.db2.gz DQUPCXCDLYRDJM-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC1(F)F ZINC000448906020 388119305 /nfs/dbraw/zinc/11/93/05/388119305.db2.gz DQUPCXCDLYRDJM-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO CCCC[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036354 388130320 /nfs/dbraw/zinc/13/03/20/388130320.db2.gz ASOAUDOBTWRWBV-NSHDSACASA-N 1 2 247.360 0.676 20 0 BCADLO CCCC[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036354 388130323 /nfs/dbraw/zinc/13/03/23/388130323.db2.gz ASOAUDOBTWRWBV-NSHDSACASA-N 1 2 247.360 0.676 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000646044630 388130659 /nfs/dbraw/zinc/13/06/59/388130659.db2.gz JHASSHBTPVKGLN-PHDIDXHHSA-N 1 2 249.217 0.511 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000646042037 388130967 /nfs/dbraw/zinc/13/09/67/388130967.db2.gz KMCKIGJYNOKCSS-HTQZYQBOSA-N 1 2 227.264 0.135 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000646042298 388131164 /nfs/dbraw/zinc/13/11/64/388131164.db2.gz BRYSQUYCKXKPAD-NBEYISGCSA-N 1 2 227.264 0.442 20 0 BCADLO COc1ccncc1C[N@H+](C)CCNC(C)=O ZINC000646047587 388132252 /nfs/dbraw/zinc/13/22/52/388132252.db2.gz XUYSTZBKSGHZED-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO COc1ccncc1C[N@@H+](C)CCNC(C)=O ZINC000646047587 388132253 /nfs/dbraw/zinc/13/22/53/388132253.db2.gz XUYSTZBKSGHZED-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000646059207 388134483 /nfs/dbraw/zinc/13/44/83/388134483.db2.gz MBSXLJRVJZDPQN-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000646059207 388134485 /nfs/dbraw/zinc/13/44/85/388134485.db2.gz MBSXLJRVJZDPQN-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H](Oc1ccccn1)C(=O)N1CC[NH+](C)CC1 ZINC000449041660 388135307 /nfs/dbraw/zinc/13/53/07/388135307.db2.gz OBDQOZGZBKCOMA-LLVKDONJSA-N 1 2 249.314 0.623 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1c[nH+]cn1C ZINC000646123756 388147012 /nfs/dbraw/zinc/14/70/12/388147012.db2.gz FIEKCUKGYMCYHO-MRVPVSSYSA-N 1 2 208.265 0.040 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1[nH+]ccn1C ZINC000646122851 388147704 /nfs/dbraw/zinc/14/77/04/388147704.db2.gz DXANUFQTMBZWDV-QMMMGPOBSA-N 1 2 208.265 0.040 20 0 BCADLO C[C@H](Nc1cc[nH+]cc1F)C(=O)N(C)C ZINC000641529670 388150874 /nfs/dbraw/zinc/15/08/74/388150874.db2.gz DXGXZYKBJKXLDG-ZETCQYMHSA-N 1 2 211.240 0.531 20 0 BCADLO OC[C@@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641529164 388151390 /nfs/dbraw/zinc/15/13/90/388151390.db2.gz YSPADCXPCPLMCF-KWQFWETISA-N 1 2 226.251 0.400 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCOC1 ZINC000449660803 388249350 /nfs/dbraw/zinc/24/93/50/388249350.db2.gz GWBMNXIAVZNKFM-IUCAKERBSA-N 1 2 201.266 0.705 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000645945649 388257326 /nfs/dbraw/zinc/25/73/26/388257326.db2.gz YJLJNCBNMMVCAL-SECBINFHSA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000645945649 388257329 /nfs/dbraw/zinc/25/73/29/388257329.db2.gz YJLJNCBNMMVCAL-SECBINFHSA-N 1 2 225.296 0.209 20 0 BCADLO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000164284362 388202107 /nfs/dbraw/zinc/20/21/07/388202107.db2.gz QYKIFKZSRMFNLD-CBAPKCEASA-N 1 2 215.322 0.612 20 0 BCADLO CC[C@H](O)[C@H](CC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000456705112 388216817 /nfs/dbraw/zinc/21/68/17/388216817.db2.gz KKZJSLXKSOHUKT-WPRPVWTQSA-N 1 2 225.292 0.997 20 0 BCADLO Cc1cc(N2C[C@@H](O)C3(CC3)C2)nc[nH+]1 ZINC000489916705 388228056 /nfs/dbraw/zinc/22/80/56/388228056.db2.gz JCURZKLKTBKCSD-SECBINFHSA-N 1 2 205.261 0.746 20 0 BCADLO COCC[N@H+](Cc1ncccn1)[C@@H]1CCOC1 ZINC000490099426 388235509 /nfs/dbraw/zinc/23/55/09/388235509.db2.gz VDSINDVOUTWBKM-LLVKDONJSA-N 1 2 237.303 0.714 20 0 BCADLO COCC[N@@H+](Cc1ncccn1)[C@@H]1CCOC1 ZINC000490099426 388235511 /nfs/dbraw/zinc/23/55/11/388235511.db2.gz VDSINDVOUTWBKM-LLVKDONJSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C1CCC1 ZINC000449646491 388247522 /nfs/dbraw/zinc/24/75/22/388247522.db2.gz BNQPMFQMEBSXBZ-GXSJLCMTSA-N 1 2 237.303 0.549 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451643921 388287052 /nfs/dbraw/zinc/28/70/52/388287052.db2.gz ALKYOPPYKKOPMF-VIFPVBQESA-N 1 2 239.348 0.538 20 0 BCADLO Cn1nnnc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451643921 388287054 /nfs/dbraw/zinc/28/70/54/388287054.db2.gz ALKYOPPYKKOPMF-VIFPVBQESA-N 1 2 239.348 0.538 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639292 388287284 /nfs/dbraw/zinc/28/72/84/388287284.db2.gz HPBKWBYERYNJTR-GHMZBOCLSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639292 388287285 /nfs/dbraw/zinc/28/72/85/388287285.db2.gz HPBKWBYERYNJTR-GHMZBOCLSA-N 1 2 228.336 0.604 20 0 BCADLO CCN(C)S(=O)(=O)NCc1[nH+]ccn1CC ZINC000451756760 388294266 /nfs/dbraw/zinc/29/42/66/388294266.db2.gz NHMCXUNTYZIYGK-UHFFFAOYSA-N 1 2 246.336 0.189 20 0 BCADLO CN(C)c1noc(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000451810725 388297586 /nfs/dbraw/zinc/29/75/86/388297586.db2.gz LVMSAKBVBJVSFQ-MRVPVSSYSA-N 1 2 240.307 0.650 20 0 BCADLO CC[C@@H](C)[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000451831849 388299910 /nfs/dbraw/zinc/29/99/10/388299910.db2.gz BHQWPHMEWFCSFB-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491520360 388300757 /nfs/dbraw/zinc/30/07/57/388300757.db2.gz MYVJKEFFGJSLTR-WBOWPWJFSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491520360 388300759 /nfs/dbraw/zinc/30/07/59/388300759.db2.gz MYVJKEFFGJSLTR-WBOWPWJFSA-N 1 2 238.331 0.956 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](O)C[C@@H]1C ZINC000492039612 388332302 /nfs/dbraw/zinc/33/23/02/388332302.db2.gz IDJABAUUZAAYJP-NRFYAWERSA-N 1 2 249.314 0.898 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)OC ZINC000492316008 388341159 /nfs/dbraw/zinc/34/11/59/388341159.db2.gz DEMMRAZBYBGQHH-WAYWQWQTSA-N 1 2 209.249 0.936 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCC1(O)CCC1 ZINC000492316310 388341226 /nfs/dbraw/zinc/34/12/26/388341226.db2.gz GIWXPUYWRILNGH-PLNGDYQASA-N 1 2 249.314 0.947 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009312 388348268 /nfs/dbraw/zinc/34/82/68/388348268.db2.gz IQFYPBVESZICLS-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009312 388348270 /nfs/dbraw/zinc/34/82/70/388348270.db2.gz IQFYPBVESZICLS-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(N)=O ZINC000162468139 388352030 /nfs/dbraw/zinc/35/20/30/388352030.db2.gz XROSVZCOLWWDGU-UHFFFAOYSA-N 1 2 236.275 0.717 20 0 BCADLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nn[nH]n1 ZINC000648788512 388356487 /nfs/dbraw/zinc/35/64/87/388356487.db2.gz KCKRRHFLKOMHPK-SSDOTTSWSA-N 1 2 249.278 0.548 20 0 BCADLO C[N@H+](Cc1nc(N)nc(N)n1)C1CCC1 ZINC000173613063 388357430 /nfs/dbraw/zinc/35/74/30/388357430.db2.gz NTDSEDFBYFCXIO-UHFFFAOYSA-N 1 2 208.269 0.020 20 0 BCADLO C[N@@H+](Cc1nc(N)nc(N)n1)C1CCC1 ZINC000173613063 388357432 /nfs/dbraw/zinc/35/74/32/388357432.db2.gz NTDSEDFBYFCXIO-UHFFFAOYSA-N 1 2 208.269 0.020 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC000174567407 388405017 /nfs/dbraw/zinc/40/50/17/388405017.db2.gz ZGLNNRHZFVMEER-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000174567407 388405021 /nfs/dbraw/zinc/40/50/21/388405021.db2.gz ZGLNNRHZFVMEER-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO COC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000648792459 388361871 /nfs/dbraw/zinc/36/18/71/388361871.db2.gz GXKWSLWIBKHZOB-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000234851159 388362181 /nfs/dbraw/zinc/36/21/81/388362181.db2.gz NFTOSZFHKNSSRE-JTQLQIEISA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000234851159 388362184 /nfs/dbraw/zinc/36/21/84/388362184.db2.gz NFTOSZFHKNSSRE-JTQLQIEISA-N 1 2 222.288 0.929 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2nn[nH]n2)[C@@H](C)[C@H]1C ZINC000572706521 388368426 /nfs/dbraw/zinc/36/84/26/388368426.db2.gz QTOPERQCHYIUMK-CSMHCCOUSA-N 1 2 238.295 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nn[nH]n2)[C@@H](C)[C@H]1C ZINC000572706521 388368428 /nfs/dbraw/zinc/36/84/28/388368428.db2.gz QTOPERQCHYIUMK-CSMHCCOUSA-N 1 2 238.295 0.115 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@H](CO)C2)c1Cl ZINC000227841122 388371843 /nfs/dbraw/zinc/37/18/43/388371843.db2.gz IUTGGITZSHAJHP-ZETCQYMHSA-N 1 2 242.710 0.921 20 0 BCADLO Nc1nc[nH+]c(N2CCC[C@H](CO)C2)c1Cl ZINC000227841122 388371845 /nfs/dbraw/zinc/37/18/45/388371845.db2.gz IUTGGITZSHAJHP-ZETCQYMHSA-N 1 2 242.710 0.921 20 0 BCADLO CCc1nn(Cc2c[nH+]cn2C)c(=O)n1CC ZINC000401322279 388377943 /nfs/dbraw/zinc/37/79/43/388377943.db2.gz IBIYSOJKZDEVAM-UHFFFAOYSA-N 1 2 235.291 0.409 20 0 BCADLO CCCC(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236765652 388382457 /nfs/dbraw/zinc/38/24/57/388382457.db2.gz WCKGLJAHSKCUAD-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000236944649 388386677 /nfs/dbraw/zinc/38/66/77/388386677.db2.gz IXCBPPBIIOWYSV-CABZTGNLSA-N 1 2 242.319 0.301 20 0 BCADLO CCOCCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000236934573 388386912 /nfs/dbraw/zinc/38/69/12/388386912.db2.gz FLQFEJBXTMCPHC-QWRGUYRKSA-N 1 2 246.351 0.400 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1occc1N ZINC000313136106 388389475 /nfs/dbraw/zinc/38/94/75/388389475.db2.gz GOMLORLAFJHADR-MRVPVSSYSA-N 1 2 234.259 0.877 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229576351 388394250 /nfs/dbraw/zinc/39/42/50/388394250.db2.gz FCXLNWQXKPMZNP-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229576351 388394251 /nfs/dbraw/zinc/39/42/51/388394251.db2.gz FCXLNWQXKPMZNP-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000165374547 388400293 /nfs/dbraw/zinc/40/02/93/388400293.db2.gz OHKLLIYIEBQONS-VIFPVBQESA-N 1 2 237.303 0.654 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000165374547 388400294 /nfs/dbraw/zinc/40/02/94/388400294.db2.gz OHKLLIYIEBQONS-VIFPVBQESA-N 1 2 237.303 0.654 20 0 BCADLO COC(=O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572972367 388401319 /nfs/dbraw/zinc/40/13/19/388401319.db2.gz VVHXNQYRWOBMJX-MRVPVSSYSA-N 1 2 239.275 0.220 20 0 BCADLO COC(=O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572972367 388401322 /nfs/dbraw/zinc/40/13/22/388401322.db2.gz VVHXNQYRWOBMJX-MRVPVSSYSA-N 1 2 239.275 0.220 20 0 BCADLO COC(=O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572972368 388401597 /nfs/dbraw/zinc/40/15/97/388401597.db2.gz VVHXNQYRWOBMJX-QMMMGPOBSA-N 1 2 239.275 0.220 20 0 BCADLO COC(=O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572972368 388401598 /nfs/dbraw/zinc/40/15/98/388401598.db2.gz VVHXNQYRWOBMJX-QMMMGPOBSA-N 1 2 239.275 0.220 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H]2C[C@H]21 ZINC000646732738 388440356 /nfs/dbraw/zinc/44/03/56/388440356.db2.gz BRWJMWARLLDTRJ-ZJUUUORDSA-N 1 2 221.260 0.273 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000331211246 388444695 /nfs/dbraw/zinc/44/46/95/388444695.db2.gz RNWCLLYSONUGFM-LLVKDONJSA-N 1 2 225.292 0.406 20 0 BCADLO Cn1nnc(C[NH+]2CCC(CCCO)CC2)n1 ZINC000331319161 388445178 /nfs/dbraw/zinc/44/51/78/388445178.db2.gz ZSIWCROHFMZWPW-UHFFFAOYSA-N 1 2 239.323 0.195 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000528369288 388452124 /nfs/dbraw/zinc/45/21/24/388452124.db2.gz YJHNEPBFZUKALX-CDETVPHDSA-N 1 2 218.684 0.315 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000528369288 388452126 /nfs/dbraw/zinc/45/21/26/388452126.db2.gz YJHNEPBFZUKALX-CDETVPHDSA-N 1 2 218.684 0.315 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@@H]2C[C@@H]21 ZINC000646745079 388453549 /nfs/dbraw/zinc/45/35/49/388453549.db2.gz VXEZURAFXJOWST-WDEREUQCSA-N 1 2 243.266 0.948 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000525971773 388433626 /nfs/dbraw/zinc/43/36/26/388433626.db2.gz LAZJMVGPZYNHTD-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000525971773 388433629 /nfs/dbraw/zinc/43/36/29/388433629.db2.gz LAZJMVGPZYNHTD-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO O=C(NC1CC[NH+](Cc2cc[nH]n2)CC1)C1CC1 ZINC000548640300 388550448 /nfs/dbraw/zinc/55/04/48/388550448.db2.gz JXBSMEFLFOTJTQ-UHFFFAOYSA-N 1 2 248.330 0.900 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548460969 388541030 /nfs/dbraw/zinc/54/10/30/388541030.db2.gz SGLJRDKKUXHJGG-GXSJLCMTSA-N 1 2 237.303 0.504 20 0 BCADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[C@H](C)O ZINC000354427753 388543775 /nfs/dbraw/zinc/54/37/75/388543775.db2.gz LKBMWKFCOYFEBH-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC000517231927 388544032 /nfs/dbraw/zinc/54/40/32/388544032.db2.gz NQZLEUCJTPAKMF-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC000517231927 388544034 /nfs/dbraw/zinc/54/40/34/388544034.db2.gz NQZLEUCJTPAKMF-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCNC(=O)NC(C)C ZINC000517364905 388547616 /nfs/dbraw/zinc/54/76/16/388547616.db2.gz ZYZLPSGKCKMJCY-UHFFFAOYSA-N 1 2 245.323 0.235 20 0 BCADLO Cn1cnc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000547804702 388484947 /nfs/dbraw/zinc/48/49/47/388484947.db2.gz JCSDHNSJLVQPLD-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000547805221 388484976 /nfs/dbraw/zinc/48/49/76/388484976.db2.gz DRZMUFHSNKAGCU-GHMZBOCLSA-N 1 2 237.303 0.504 20 0 BCADLO Cc1cnn(CC[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000342116789 388496656 /nfs/dbraw/zinc/49/66/56/388496656.db2.gz BHVLFKJXXSRXEQ-SNVBAGLBSA-N 1 2 234.307 0.671 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135658425 388504206 /nfs/dbraw/zinc/50/42/06/388504206.db2.gz IEDMDBPBNMXFJI-NSHDSACASA-N 1 2 214.309 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135658425 388504208 /nfs/dbraw/zinc/50/42/08/388504208.db2.gz IEDMDBPBNMXFJI-NSHDSACASA-N 1 2 214.309 0.623 20 0 BCADLO CCN(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548041806 388505433 /nfs/dbraw/zinc/50/54/33/388505433.db2.gz WUUGIHISTMTRFC-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCN(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548041806 388505435 /nfs/dbraw/zinc/50/54/35/388505435.db2.gz WUUGIHISTMTRFC-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnnn1C1CC1 ZINC000548098118 388512484 /nfs/dbraw/zinc/51/24/84/388512484.db2.gz NBTQHKOTHAJFOP-YUMQZZPRSA-N 1 2 207.281 0.991 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+][C@H]1CCn2ccnc21 ZINC000345357112 388513978 /nfs/dbraw/zinc/51/39/78/388513978.db2.gz VISZSKRKZLULJV-VIFPVBQESA-N 1 2 236.319 0.832 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000564342126 388517883 /nfs/dbraw/zinc/51/78/83/388517883.db2.gz GKOTVILRZXVZIX-WPRPVWTQSA-N 1 2 243.307 0.768 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000564342126 388517886 /nfs/dbraw/zinc/51/78/86/388517886.db2.gz GKOTVILRZXVZIX-WPRPVWTQSA-N 1 2 243.307 0.768 20 0 BCADLO CCC[C@@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000378840115 388520037 /nfs/dbraw/zinc/52/00/37/388520037.db2.gz XNKCIUGTKVSTDP-QMMMGPOBSA-N 1 2 213.285 0.115 20 0 BCADLO CCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548195363 388520494 /nfs/dbraw/zinc/52/04/94/388520494.db2.gz NZLRITVVQWRIAY-UHFFFAOYSA-N 1 2 207.277 0.974 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348179666 388526807 /nfs/dbraw/zinc/52/68/07/388526807.db2.gz GMHXLLUOPRUMAP-RNFRBKRXSA-N 1 2 223.219 0.909 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)CC1 ZINC000516979112 388530274 /nfs/dbraw/zinc/53/02/74/388530274.db2.gz LIUFEVVQWJEYFA-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)CC1 ZINC000516979112 388530277 /nfs/dbraw/zinc/53/02/77/388530277.db2.gz LIUFEVVQWJEYFA-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000528497417 388535468 /nfs/dbraw/zinc/53/54/68/388535468.db2.gz LPFNASWCLRFGHG-ZFNXJMALSA-N 1 2 242.710 0.841 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000528497417 388535470 /nfs/dbraw/zinc/53/54/70/388535470.db2.gz LPFNASWCLRFGHG-ZFNXJMALSA-N 1 2 242.710 0.841 20 0 BCADLO C[C@H](F)CCNC(=O)Cc1c[nH+]cn1C ZINC000517049653 388535833 /nfs/dbraw/zinc/53/58/33/388535833.db2.gz PSZFWPFSTJRNDH-QMMMGPOBSA-N 1 2 213.256 0.827 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000219431238 388591630 /nfs/dbraw/zinc/59/16/30/388591630.db2.gz GHLOKEXLRHVIDG-DTWKUNHWSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCN1CC(F)F ZINC000245771698 388604667 /nfs/dbraw/zinc/60/46/67/388604667.db2.gz SJQDMOVKMPEFPS-RKDXNWHRSA-N 1 2 249.305 0.522 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCN1CC(F)F ZINC000245771698 388604669 /nfs/dbraw/zinc/60/46/69/388604669.db2.gz SJQDMOVKMPEFPS-RKDXNWHRSA-N 1 2 249.305 0.522 20 0 BCADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000550344316 388606949 /nfs/dbraw/zinc/60/69/49/388606949.db2.gz CXTRWNOTBYNWMW-JTQLQIEISA-N 1 2 209.249 0.178 20 0 BCADLO CC(=O)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000550784173 388614995 /nfs/dbraw/zinc/61/49/95/388614995.db2.gz QHWMMVGZBCDTFJ-UHFFFAOYSA-N 1 2 233.271 0.636 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528630485 388553803 /nfs/dbraw/zinc/55/38/03/388553803.db2.gz SBAKGISQTIWNSN-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528630485 388553804 /nfs/dbraw/zinc/55/38/04/388553804.db2.gz SBAKGISQTIWNSN-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCSC1 ZINC000548722119 388555001 /nfs/dbraw/zinc/55/50/01/388555001.db2.gz NHVLSVMYEFAWDS-SECBINFHSA-N 1 2 239.344 0.832 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCF ZINC000137109699 388558796 /nfs/dbraw/zinc/55/87/96/388558796.db2.gz VLHIXYSFAVLRDY-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000360973272 388559131 /nfs/dbraw/zinc/55/91/31/388559131.db2.gz BECZITDYIPCIPX-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000360973272 388559132 /nfs/dbraw/zinc/55/91/32/388559132.db2.gz BECZITDYIPCIPX-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1NC(=O)Cc1c[nH+]cn1C ZINC000548802946 388561525 /nfs/dbraw/zinc/56/15/25/388561525.db2.gz RAZXCFBMXXSKEW-UHFFFAOYSA-N 1 2 230.271 0.727 20 0 BCADLO CCOC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528724211 388562155 /nfs/dbraw/zinc/56/21/55/388562155.db2.gz LXNNADHJVVQIFM-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528724211 388562157 /nfs/dbraw/zinc/56/21/57/388562157.db2.gz LXNNADHJVVQIFM-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000528732328 388563466 /nfs/dbraw/zinc/56/34/66/388563466.db2.gz PHBCHBGCGIMZIN-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528731918 388563930 /nfs/dbraw/zinc/56/39/30/388563930.db2.gz LVLYUQMDDTUCDA-NWDGAFQWSA-N 1 2 245.319 0.064 20 0 BCADLO CCOC[C@@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528731918 388563931 /nfs/dbraw/zinc/56/39/31/388563931.db2.gz LVLYUQMDDTUCDA-NWDGAFQWSA-N 1 2 245.319 0.064 20 0 BCADLO C[N@H+](CCN1C(=O)CCC1=O)Cc1cnccn1 ZINC000080965467 388564991 /nfs/dbraw/zinc/56/49/91/388564991.db2.gz UEKCSPYEEGQSIC-UHFFFAOYSA-N 1 2 248.286 0.057 20 0 BCADLO C[N@@H+](CCN1C(=O)CCC1=O)Cc1cnccn1 ZINC000080965467 388564993 /nfs/dbraw/zinc/56/49/93/388564993.db2.gz UEKCSPYEEGQSIC-UHFFFAOYSA-N 1 2 248.286 0.057 20 0 BCADLO O=C(C[NH2+][C@@H]1CCCc2[nH]ncc21)NCC1CC1 ZINC000368613981 388569231 /nfs/dbraw/zinc/56/92/31/388569231.db2.gz LRKCQTRBXLQQLB-LLVKDONJSA-N 1 2 248.330 0.903 20 0 BCADLO COC(=O)N1CC([NH2+][C@@H](C)c2nccn2C)C1 ZINC000183356862 388570180 /nfs/dbraw/zinc/57/01/80/388570180.db2.gz NRBOKXATLMIXGU-QMMMGPOBSA-N 1 2 238.291 0.521 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000245474052 388583505 /nfs/dbraw/zinc/58/35/05/388583505.db2.gz QLWMYHSNYBQGKD-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000245474052 388583507 /nfs/dbraw/zinc/58/35/07/388583507.db2.gz QLWMYHSNYBQGKD-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO COC(=O)[C@H](NCc1c[nH+]cn1C)C(C)C ZINC000085168083 388665640 /nfs/dbraw/zinc/66/56/40/388665640.db2.gz WXFJUZDEDNKANO-SNVBAGLBSA-N 1 2 225.292 0.707 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446481 388680459 /nfs/dbraw/zinc/68/04/59/388680459.db2.gz COVNSZWOBUKCAM-QLJPJBMISA-N 1 2 248.392 0.602 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446481 388680460 /nfs/dbraw/zinc/68/04/60/388680460.db2.gz COVNSZWOBUKCAM-QLJPJBMISA-N 1 2 248.392 0.602 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248508300 388682247 /nfs/dbraw/zinc/68/22/47/388682247.db2.gz YAHJAWLTDIGEIX-QLJPJBMISA-N 1 2 248.392 0.457 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248508300 388682250 /nfs/dbraw/zinc/68/22/50/388682250.db2.gz YAHJAWLTDIGEIX-QLJPJBMISA-N 1 2 248.392 0.457 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nncs1 ZINC000530188482 388624921 /nfs/dbraw/zinc/62/49/21/388624921.db2.gz FCWDXSQEZGMZJV-UHFFFAOYSA-N 1 2 237.288 0.685 20 0 BCADLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000328601326 388645680 /nfs/dbraw/zinc/64/56/80/388645680.db2.gz FGRRZQQMQAGIPB-SSDOTTSWSA-N 1 2 226.280 0.415 20 0 BCADLO COC(C)(C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000530335479 388650812 /nfs/dbraw/zinc/65/08/12/388650812.db2.gz YBJHYCVQLUVYCT-QMMMGPOBSA-N 1 2 227.312 0.628 20 0 BCADLO COC(C)(C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000530335479 388650815 /nfs/dbraw/zinc/65/08/15/388650815.db2.gz YBJHYCVQLUVYCT-QMMMGPOBSA-N 1 2 227.312 0.628 20 0 BCADLO CC(=O)CCCC(=O)NCCc1c[nH+]cn1C ZINC000530363506 388651555 /nfs/dbraw/zinc/65/15/55/388651555.db2.gz YFWWATWQFUHAQA-UHFFFAOYSA-N 1 2 237.303 0.838 20 0 BCADLO C[N@H+](Cc1cn2ccccc2n1)[C@@H]1COC[C@H]1O ZINC000552006519 388655751 /nfs/dbraw/zinc/65/57/51/388655751.db2.gz IBTKTCRUDWQJEQ-VXGBXAGGSA-N 1 2 247.298 0.526 20 0 BCADLO C[N@@H+](Cc1cn2ccccc2n1)[C@@H]1COC[C@H]1O ZINC000552006519 388655756 /nfs/dbraw/zinc/65/57/56/388655756.db2.gz IBTKTCRUDWQJEQ-VXGBXAGGSA-N 1 2 247.298 0.526 20 0 BCADLO C[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000552761502 388736943 /nfs/dbraw/zinc/73/69/43/388736943.db2.gz VENZZGAHUURCKS-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000552761501 388737066 /nfs/dbraw/zinc/73/70/66/388737066.db2.gz VENZZGAHUURCKS-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO Cn1cc(CC(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000522259154 388738551 /nfs/dbraw/zinc/73/85/51/388738551.db2.gz TYMAZCSFXMDNIT-UHFFFAOYSA-N 1 2 245.286 0.243 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000522268903 388742004 /nfs/dbraw/zinc/74/20/04/388742004.db2.gz MSNARDOGSDTATH-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000522268903 388742005 /nfs/dbraw/zinc/74/20/05/388742005.db2.gz MSNARDOGSDTATH-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccccn2)CCO1 ZINC000522268002 388742604 /nfs/dbraw/zinc/74/26/04/388742604.db2.gz MNKRZZOUGLSZEX-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccn2)CCO1 ZINC000522268002 388742606 /nfs/dbraw/zinc/74/26/06/388742606.db2.gz MNKRZZOUGLSZEX-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000090009441 388744596 /nfs/dbraw/zinc/74/45/96/388744596.db2.gz BWBVRIQDJUQXQF-LBPRGKRZSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000090009441 388744597 /nfs/dbraw/zinc/74/45/97/388744597.db2.gz BWBVRIQDJUQXQF-LBPRGKRZSA-N 1 2 238.331 0.718 20 0 BCADLO CCCC[C@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000649034720 388746260 /nfs/dbraw/zinc/74/62/60/388746260.db2.gz XRGLHFZSICDZOL-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)OCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522288224 388746906 /nfs/dbraw/zinc/74/69/06/388746906.db2.gz IEMOAWIQWBWOAB-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522288224 388746908 /nfs/dbraw/zinc/74/69/08/388746908.db2.gz IEMOAWIQWBWOAB-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1nnnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000522107227 388691918 /nfs/dbraw/zinc/69/19/18/388691918.db2.gz KQOHMDQXEPRJKZ-UHFFFAOYSA-N 1 2 233.279 0.248 20 0 BCADLO CC[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC000249025845 388704906 /nfs/dbraw/zinc/70/49/06/388704906.db2.gz KYUDLIUBFSYDTH-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC000249025845 388704908 /nfs/dbraw/zinc/70/49/08/388704908.db2.gz KYUDLIUBFSYDTH-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)CC1CC1)[C@H](C)O ZINC000249069974 388706849 /nfs/dbraw/zinc/70/68/49/388706849.db2.gz KTFQCQQDVWSMMZ-OYNCUSHFSA-N 1 2 215.293 0.687 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCSC1)[C@@H](C)O ZINC000249066667 388707256 /nfs/dbraw/zinc/70/72/56/388707256.db2.gz QIFYZXBEMVPFKI-GJMOJQLCSA-N 1 2 219.306 0.004 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CCCN(C)C1=O ZINC000538712100 388707646 /nfs/dbraw/zinc/70/76/46/388707646.db2.gz UATLQALPTLDXHO-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249375995 388717652 /nfs/dbraw/zinc/71/76/52/388717652.db2.gz PSSQAMIJUSYYJV-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249375995 388717653 /nfs/dbraw/zinc/71/76/53/388717653.db2.gz PSSQAMIJUSYYJV-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000249400622 388720275 /nfs/dbraw/zinc/72/02/75/388720275.db2.gz SNXURCJUFSFPSC-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000249400622 388720278 /nfs/dbraw/zinc/72/02/78/388720278.db2.gz SNXURCJUFSFPSC-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)no1 ZINC000193977497 388720506 /nfs/dbraw/zinc/72/05/06/388720506.db2.gz ZECZGMAHBGJVGF-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)no1 ZINC000193977497 388720507 /nfs/dbraw/zinc/72/05/07/388720507.db2.gz ZECZGMAHBGJVGF-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000249400621 388720900 /nfs/dbraw/zinc/72/09/00/388720900.db2.gz SNXURCJUFSFPSC-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000249400621 388720902 /nfs/dbraw/zinc/72/09/02/388720902.db2.gz SNXURCJUFSFPSC-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CN1CC[N@H+](Cc2cccc3c[nH]nc32)CC1=O ZINC000127344713 388721314 /nfs/dbraw/zinc/72/13/14/388721314.db2.gz VRGDVEWDPCGWMM-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO CN1CC[N@@H+](Cc2cccc3c[nH]nc32)CC1=O ZINC000127344713 388721316 /nfs/dbraw/zinc/72/13/16/388721316.db2.gz VRGDVEWDPCGWMM-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127401504 388722734 /nfs/dbraw/zinc/72/27/34/388722734.db2.gz BQEMHXDQPHBJHI-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127401504 388722736 /nfs/dbraw/zinc/72/27/36/388722736.db2.gz BQEMHXDQPHBJHI-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249494079 388724540 /nfs/dbraw/zinc/72/45/40/388724540.db2.gz VUVAUPLQABCARO-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249494079 388724542 /nfs/dbraw/zinc/72/45/42/388724542.db2.gz VUVAUPLQABCARO-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO CC(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC000117887659 388725995 /nfs/dbraw/zinc/72/59/95/388725995.db2.gz NTOOAWMNILADCP-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CC(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC000117887659 388725997 /nfs/dbraw/zinc/72/59/97/388725997.db2.gz NTOOAWMNILADCP-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000249588824 388729762 /nfs/dbraw/zinc/72/97/62/388729762.db2.gz UUUUEBOWHXZWTP-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000249588824 388729765 /nfs/dbraw/zinc/72/97/65/388729765.db2.gz UUUUEBOWHXZWTP-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000127717934 388730293 /nfs/dbraw/zinc/73/02/93/388730293.db2.gz GENOBVHZEBLHOI-UHFFFAOYSA-N 1 2 234.263 0.773 20 0 BCADLO CC[C@@H]1COCCN1CC[N@@H+]1CCOC[C@H]1C ZINC000249630840 388730733 /nfs/dbraw/zinc/73/07/33/388730733.db2.gz VENOGXOEJQZNQK-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1COCCN1CC[N@H+]1CCOC[C@H]1C ZINC000249630840 388730735 /nfs/dbraw/zinc/73/07/35/388730735.db2.gz VENOGXOEJQZNQK-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229506427 388792087 /nfs/dbraw/zinc/79/20/87/388792087.db2.gz NFCVIYOCRPLHLH-DTWKUNHWSA-N 1 2 224.304 0.564 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229506427 388792088 /nfs/dbraw/zinc/79/20/88/388792088.db2.gz NFCVIYOCRPLHLH-DTWKUNHWSA-N 1 2 224.304 0.564 20 0 BCADLO COCC(C)(C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000554008714 388796036 /nfs/dbraw/zinc/79/60/36/388796036.db2.gz MWVBXKXNBVYZFR-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000128931034 388803867 /nfs/dbraw/zinc/80/38/67/388803867.db2.gz XNHIQWWWQBUYJS-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000128931034 388803872 /nfs/dbraw/zinc/80/38/72/388803872.db2.gz XNHIQWWWQBUYJS-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)[nH]1 ZINC000540347060 388804433 /nfs/dbraw/zinc/80/44/33/388804433.db2.gz YOSZZEWGDPODAM-IUCAKERBSA-N 1 2 238.291 0.511 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000540349386 388804709 /nfs/dbraw/zinc/80/47/09/388804709.db2.gz LMTHLQHSHPHPBD-UHFFFAOYSA-N 1 2 214.269 0.367 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000540349386 388804712 /nfs/dbraw/zinc/80/47/12/388804712.db2.gz LMTHLQHSHPHPBD-UHFFFAOYSA-N 1 2 214.269 0.367 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C2CCC1CC2 ZINC000540476074 388808490 /nfs/dbraw/zinc/80/84/90/388808490.db2.gz XOCUEGHYPGCDEM-MCIGGMRASA-N 1 2 238.331 0.861 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1C2CCC1CC2 ZINC000540476074 388808494 /nfs/dbraw/zinc/80/84/94/388808494.db2.gz XOCUEGHYPGCDEM-MCIGGMRASA-N 1 2 238.331 0.861 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCn1cccn1)C1CC1 ZINC000227770030 388758439 /nfs/dbraw/zinc/75/84/39/388758439.db2.gz JJTFWORZUAUHAM-JTQLQIEISA-N 1 2 223.276 0.424 20 0 BCADLO O[C@H]1CCCC[C@@H]1[N@@H+]1CCn2nncc2C1 ZINC000564224587 388785707 /nfs/dbraw/zinc/78/57/07/388785707.db2.gz WYGNSVUIZQRVAA-QWRGUYRKSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@H]1CCCC[C@@H]1[N@H+]1CCn2nncc2C1 ZINC000564224587 388785710 /nfs/dbraw/zinc/78/57/10/388785710.db2.gz WYGNSVUIZQRVAA-QWRGUYRKSA-N 1 2 222.292 0.397 20 0 BCADLO Cc1nc(N2CC[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000229436090 388788880 /nfs/dbraw/zinc/78/88/80/388788880.db2.gz DOFDOKQNQCPKBU-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC(C)(C)O1 ZINC000068478233 388789111 /nfs/dbraw/zinc/78/91/11/388789111.db2.gz MGYJNUJGYHCOST-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC(C)(C)O1 ZINC000068478233 388789113 /nfs/dbraw/zinc/78/91/13/388789113.db2.gz MGYJNUJGYHCOST-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO CS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126040062 388817672 /nfs/dbraw/zinc/81/76/72/388817672.db2.gz GKWKDRFSDYBCIZ-QMMMGPOBSA-N 1 2 229.305 0.896 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000253484155 388818229 /nfs/dbraw/zinc/81/82/29/388818229.db2.gz FEGNLEVHZJXOMZ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000253484155 388818233 /nfs/dbraw/zinc/81/82/33/388818233.db2.gz FEGNLEVHZJXOMZ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO Cn1cnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000230172577 388819737 /nfs/dbraw/zinc/81/97/37/388819737.db2.gz FPWYYXHIAYDJQO-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1cnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000230172577 388819742 /nfs/dbraw/zinc/81/97/42/388819742.db2.gz FPWYYXHIAYDJQO-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000554595584 388823503 /nfs/dbraw/zinc/82/35/03/388823503.db2.gz MQNQOWPRNFHMHC-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccco2)C1 ZINC000284442353 388827620 /nfs/dbraw/zinc/82/76/20/388827620.db2.gz ANAPOQBZBUPZNL-UWVGGRQHSA-N 1 2 224.260 0.354 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccco2)C1 ZINC000284442353 388827622 /nfs/dbraw/zinc/82/76/22/388827622.db2.gz ANAPOQBZBUPZNL-UWVGGRQHSA-N 1 2 224.260 0.354 20 0 BCADLO Oc1cccnc1CN1CCn2cc[nH+]c2C1 ZINC000554855669 388833874 /nfs/dbraw/zinc/83/38/74/388833874.db2.gz VPIUCILWHGXUCB-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000541070712 388838552 /nfs/dbraw/zinc/83/85/52/388838552.db2.gz TWUSYOWXFHWLPD-VIFPVBQESA-N 1 2 224.308 0.691 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000541070712 388838557 /nfs/dbraw/zinc/83/85/57/388838557.db2.gz TWUSYOWXFHWLPD-VIFPVBQESA-N 1 2 224.308 0.691 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nnc2ccccn21 ZINC000555221659 388842314 /nfs/dbraw/zinc/84/23/14/388842314.db2.gz LTWYPRLSBTVDNR-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689921 388852508 /nfs/dbraw/zinc/85/25/08/388852508.db2.gz BGUNWPOYWFLQPI-MNOVXSKESA-N 1 2 235.287 0.691 20 0 BCADLO COC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000648769190 388856493 /nfs/dbraw/zinc/85/64/93/388856493.db2.gz LKQLZBPFLSUIHP-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000648769190 388856497 /nfs/dbraw/zinc/85/64/97/388856497.db2.gz LKQLZBPFLSUIHP-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000541557510 388857147 /nfs/dbraw/zinc/85/71/47/388857147.db2.gz BEXHOLDBFZXIIJ-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO COC[C@@](C)([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000541581711 388857609 /nfs/dbraw/zinc/85/76/09/388857609.db2.gz RDWLAWZSNYXNJB-CMPLNLGQSA-N 1 2 245.319 0.581 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000541581716 388858046 /nfs/dbraw/zinc/85/80/46/388858046.db2.gz RDWLAWZSNYXNJB-PWSUYJOCSA-N 1 2 245.319 0.581 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1ccn(C)n1 ZINC000555855779 388861604 /nfs/dbraw/zinc/86/16/04/388861604.db2.gz FDJILAPEODLNEZ-UHFFFAOYSA-N 1 2 243.274 0.650 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000555880366 388861768 /nfs/dbraw/zinc/86/17/68/388861768.db2.gz LETWNKOOXWPGIP-ZJUUUORDSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000555880366 388861769 /nfs/dbraw/zinc/86/17/69/388861769.db2.gz LETWNKOOXWPGIP-ZJUUUORDSA-N 1 2 224.308 0.788 20 0 BCADLO CN1CC(=O)N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000541257819 388846732 /nfs/dbraw/zinc/84/67/32/388846732.db2.gz RKRGGABLDZOJBS-LLVKDONJSA-N 1 2 248.311 0.994 20 0 BCADLO Cc1c([C@@H](C)NC(=O)Cn2cc[nH+]c2)cnn1C ZINC000564639843 388881257 /nfs/dbraw/zinc/88/12/57/388881257.db2.gz HYZNKWQHHUDETP-SECBINFHSA-N 1 2 247.302 0.802 20 0 BCADLO O=C(NC1CC1)C1([NH+]2CCOCC2)CC1 ZINC000630411307 388892169 /nfs/dbraw/zinc/89/21/69/388892169.db2.gz FMBCNJGTADYBTR-UHFFFAOYSA-N 1 2 210.277 0.130 20 0 BCADLO CCc1noc([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000564929041 388899105 /nfs/dbraw/zinc/89/91/05/388899105.db2.gz QKFPKPTVTYNYKI-DJLDLDEBSA-N 1 2 241.291 0.696 20 0 BCADLO COC(=O)CC1([NH2+]Cc2ncccn2)CC1 ZINC000565051690 388911848 /nfs/dbraw/zinc/91/18/48/388911848.db2.gz PXFMMWPOHZZWFL-UHFFFAOYSA-N 1 2 221.260 0.662 20 0 BCADLO CNC(=O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565175586 388921664 /nfs/dbraw/zinc/92/16/64/388921664.db2.gz YPGORGGWGZMGOJ-UHFFFAOYSA-N 1 2 246.270 0.119 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCn2ncnc2C1 ZINC000565225469 388928349 /nfs/dbraw/zinc/92/83/49/388928349.db2.gz FEDNZSAPZZGCSR-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC000565228933 388929140 /nfs/dbraw/zinc/92/91/40/388929140.db2.gz JYTMQCXONWIEAB-CYBMUJFWSA-N 1 2 246.314 0.810 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)NCC(F)F)[nH]c1C ZINC000565239199 388930958 /nfs/dbraw/zinc/93/09/58/388930958.db2.gz VEFKHUDKZFFHNR-UHFFFAOYSA-N 1 2 246.261 0.497 20 0 BCADLO Cc1[nH]c(CNCC(=O)NCC(F)F)[nH+]c1C ZINC000565239199 388930960 /nfs/dbraw/zinc/93/09/60/388930960.db2.gz VEFKHUDKZFFHNR-UHFFFAOYSA-N 1 2 246.261 0.497 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)O ZINC000565316239 388936964 /nfs/dbraw/zinc/93/69/64/388936964.db2.gz YSZWGVAQUYOLNV-SECBINFHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)O ZINC000565316239 388936966 /nfs/dbraw/zinc/93/69/66/388936966.db2.gz YSZWGVAQUYOLNV-SECBINFHSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000565314183 388937099 /nfs/dbraw/zinc/93/70/99/388937099.db2.gz VABAJBKHZODKQJ-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CC[C@H](C[N@H+]1CCn2nncc2C1)OC ZINC000565314183 388937103 /nfs/dbraw/zinc/93/71/03/388937103.db2.gz VABAJBKHZODKQJ-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000572571479 388966801 /nfs/dbraw/zinc/96/68/01/388966801.db2.gz MMUQZTNDHNUOIT-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000572571479 388966806 /nfs/dbraw/zinc/96/68/06/388966806.db2.gz MMUQZTNDHNUOIT-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(Cn2c(=O)ccn(C)c2=O)c(C)[nH+]1 ZINC000565338420 388938994 /nfs/dbraw/zinc/93/89/94/388938994.db2.gz ANCGMMAQLOUJJJ-UHFFFAOYSA-N 1 2 245.282 0.607 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](F)C1 ZINC000565326016 388939109 /nfs/dbraw/zinc/93/91/09/388939109.db2.gz PKLOHIJHAFHGTP-IUCAKERBSA-N 1 2 225.267 0.969 20 0 BCADLO CC(C)(O)CCC(=O)NCCCn1cc[nH+]c1 ZINC000565516018 388950194 /nfs/dbraw/zinc/95/01/94/388950194.db2.gz KAAFGYZIDWIDJB-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CC[N@H+](CCn1nc(C)cc1C)CC(=O)OC ZINC000264567301 388992371 /nfs/dbraw/zinc/99/23/71/388992371.db2.gz SFVQAPYHHWELMY-UHFFFAOYSA-N 1 2 239.319 0.995 20 0 BCADLO CC[N@@H+](CCn1nc(C)cc1C)CC(=O)OC ZINC000264567301 388992373 /nfs/dbraw/zinc/99/23/73/388992373.db2.gz SFVQAPYHHWELMY-UHFFFAOYSA-N 1 2 239.319 0.995 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000264722321 388992597 /nfs/dbraw/zinc/99/25/97/388992597.db2.gz PDVAYPAFANRIFG-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000264722321 388992600 /nfs/dbraw/zinc/99/26/00/388992600.db2.gz PDVAYPAFANRIFG-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO COC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267285141 388999474 /nfs/dbraw/zinc/99/94/74/388999474.db2.gz YOEXOJUGEMXKHG-UHFFFAOYSA-N 1 2 211.265 0.759 20 0 BCADLO Cn1c2ccccc2[nH+]c1N(CCO)CCCO ZINC000270587229 389012741 /nfs/dbraw/zinc/01/27/41/389012741.db2.gz RPDOFICHGHORGE-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000271116552 389017309 /nfs/dbraw/zinc/01/73/09/389017309.db2.gz WESBYCXBRCIMIV-ZETCQYMHSA-N 1 2 227.289 0.533 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000271116552 389017315 /nfs/dbraw/zinc/01/73/15/389017315.db2.gz WESBYCXBRCIMIV-ZETCQYMHSA-N 1 2 227.289 0.533 20 0 BCADLO COC[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1ccccc1 ZINC000271770078 389022552 /nfs/dbraw/zinc/02/25/52/389022552.db2.gz FTOZIPQQULOQDF-JTQLQIEISA-N 1 2 248.286 0.575 20 0 BCADLO COCCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493104665 533275453 /nfs/dbraw/zinc/27/54/53/533275453.db2.gz JWZFAIGZCKYWIB-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000510110168 533292376 /nfs/dbraw/zinc/29/23/76/533292376.db2.gz WMMQEAYTAXQOPP-KNVOCYPGSA-N 1 2 212.253 0.120 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000510110168 533292378 /nfs/dbraw/zinc/29/23/78/533292378.db2.gz WMMQEAYTAXQOPP-KNVOCYPGSA-N 1 2 212.253 0.120 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2CCF)C1 ZINC000510108032 533292735 /nfs/dbraw/zinc/29/27/35/533292735.db2.gz HOWKSGQFAANLGK-AOOOYVTPSA-N 1 2 242.298 0.857 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2CCF)C1 ZINC000510108032 533292742 /nfs/dbraw/zinc/29/27/42/533292742.db2.gz HOWKSGQFAANLGK-AOOOYVTPSA-N 1 2 242.298 0.857 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2C)C1 ZINC000510141874 533293209 /nfs/dbraw/zinc/29/32/09/533293209.db2.gz ATNNPYVRIQMNQW-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2C)C1 ZINC000510141874 533293213 /nfs/dbraw/zinc/29/32/13/533293213.db2.gz ATNNPYVRIQMNQW-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO COC(=O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493350670 533383458 /nfs/dbraw/zinc/38/34/58/533383458.db2.gz JHLSQZFIWNVESD-SNAWJCMRSA-N 1 2 237.259 0.492 20 0 BCADLO COC(=O)CN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493357295 533466844 /nfs/dbraw/zinc/46/68/44/533466844.db2.gz RYLKVWYJQATVJB-PLNGDYQASA-N 1 2 249.270 0.587 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493721387 533511245 /nfs/dbraw/zinc/51/12/45/533511245.db2.gz KUWLTKCLJKPJRY-FEHWTGTHSA-N 1 2 249.270 0.491 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CO1 ZINC000493764061 533593058 /nfs/dbraw/zinc/59/30/58/533593058.db2.gz ZRDJPILCQIZGQG-KHVQUVQLSA-N 1 2 221.260 0.717 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)nn1C ZINC000487417248 533598912 /nfs/dbraw/zinc/59/89/12/533598912.db2.gz SHBQYFSWLMMBCO-LLVKDONJSA-N 1 2 236.319 0.568 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)nn1C ZINC000487417248 533598914 /nfs/dbraw/zinc/59/89/14/533598914.db2.gz SHBQYFSWLMMBCO-LLVKDONJSA-N 1 2 236.319 0.568 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1cc[nH]n1 ZINC000041016597 322834108 /nfs/dbraw/zinc/83/41/08/322834108.db2.gz TUNLYSDHIHTYQP-UHFFFAOYSA-N 1 2 219.248 0.313 20 0 BCADLO COC(=O)CN1CCN(C)c2[nH+]cccc21 ZINC000260284952 132177388 /nfs/dbraw/zinc/17/73/88/132177388.db2.gz MBVXIKFEVICPAT-UHFFFAOYSA-N 1 2 221.260 0.511 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000267353233 132189549 /nfs/dbraw/zinc/18/95/49/132189549.db2.gz GSCJDPDWYAAXRX-JTQLQIEISA-N 1 2 235.287 0.552 20 0 BCADLO O=C1NC[C@@H]2CN(c3cccc[nH+]3)CCN12 ZINC000267644419 132190498 /nfs/dbraw/zinc/19/04/98/132190498.db2.gz LIEKQZNIMUOYLP-SECBINFHSA-N 1 2 218.260 0.295 20 0 BCADLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000268628903 132192852 /nfs/dbraw/zinc/19/28/52/132192852.db2.gz BKIIKIJFSGIIMC-SECBINFHSA-N 1 2 234.303 0.842 20 0 BCADLO Cc1nc(N2CCNC(=O)[C@@H]2C(C)C)cc[nH+]1 ZINC000271489947 132198926 /nfs/dbraw/zinc/19/89/26/132198926.db2.gz VRAMCJOLLXBFKM-NSHDSACASA-N 1 2 234.303 0.746 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1cc[nH+]c2ccncc21 ZINC000271565365 132199098 /nfs/dbraw/zinc/19/90/98/132199098.db2.gz ATAWYSJLARPVHZ-SECBINFHSA-N 1 2 242.282 0.955 20 0 BCADLO C[C@H]1CN(c2cccc[nH+]2)CC(=O)N1C ZINC000283388932 132212531 /nfs/dbraw/zinc/21/25/31/132212531.db2.gz DRFJKRXGSJHLGO-VIFPVBQESA-N 1 2 205.261 0.749 20 0 BCADLO CCc1nc(N2CCNC(=O)[C@@H]2C)cc(C)[nH+]1 ZINC000283745666 132213032 /nfs/dbraw/zinc/21/30/32/132213032.db2.gz JWERKMCIBJWLDC-VIFPVBQESA-N 1 2 234.303 0.672 20 0 BCADLO Cc1nnc(CN2CCN(C)c3[nH+]cccc32)[nH]1 ZINC000293118576 132219107 /nfs/dbraw/zinc/21/91/07/132219107.db2.gz KIZRXUWFJHYUBG-UHFFFAOYSA-N 1 2 244.302 0.965 20 0 BCADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)CC(=O)N1 ZINC000295882367 132221341 /nfs/dbraw/zinc/22/13/41/132221341.db2.gz ZZISYPSGRFCHNL-VIFPVBQESA-N 1 2 242.282 0.955 20 0 BCADLO CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000047186857 132227969 /nfs/dbraw/zinc/22/79/69/132227969.db2.gz BZRRANFXBSWFNU-JTQLQIEISA-N 1 2 249.314 0.943 20 0 BCADLO c1nc2c(ncnc2N2CC[NH+](C3CC3)CC2)[nH]1 ZINC000049390338 132228625 /nfs/dbraw/zinc/22/86/25/132228625.db2.gz RFBKEUGLHDGSHC-UHFFFAOYSA-N 1 2 244.302 0.637 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1c1cc[nH+]c(C2CC2)n1 ZINC000131809840 132236405 /nfs/dbraw/zinc/23/64/05/132236405.db2.gz ZEDHGBIAZQTGCZ-ONGXEEELSA-N 1 2 249.314 0.940 20 0 BCADLO c1nc2n(n1)CCN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000329993460 132244732 /nfs/dbraw/zinc/24/47/32/132244732.db2.gz YKZFDKZYHDJQLX-UHFFFAOYSA-N 1 2 242.286 0.966 20 0 BCADLO COC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000301658185 132255939 /nfs/dbraw/zinc/25/59/39/132255939.db2.gz WCSOHZOSXMIGMA-UHFFFAOYSA-N 1 2 249.314 0.685 20 0 BCADLO COC(=O)CN1CCN(c2cccc(C)[nH+]2)CC1 ZINC000301715668 132256749 /nfs/dbraw/zinc/25/67/49/132256749.db2.gz WZMHWURCCRZODE-UHFFFAOYSA-N 1 2 249.314 0.685 20 0 BCADLO Cc1cc(N2CCOC[C@H]2C[C@H](C)O)nc[nH+]1 ZINC000302201576 132261747 /nfs/dbraw/zinc/26/17/47/132261747.db2.gz SNZVPJNGGHDXHJ-WDEREUQCSA-N 1 2 237.303 0.761 20 0 BCADLO Cc1cc(N2CCN(C)C(=O)[C@H]2C)nc[nH+]1 ZINC000302341113 132262952 /nfs/dbraw/zinc/26/29/52/132262952.db2.gz AEOULEZOCOUDPP-SECBINFHSA-N 1 2 220.276 0.452 20 0 BCADLO O=C(NCCO)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362156002 132280838 /nfs/dbraw/zinc/28/08/38/132280838.db2.gz OPKMFUQPHACYHY-NSHDSACASA-N 1 2 249.314 0.407 20 0 BCADLO NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000019390651 132284122 /nfs/dbraw/zinc/28/41/22/132284122.db2.gz XYIDWLYTWKIZQC-UHFFFAOYSA-N 1 2 206.249 0.282 20 0 in-vivo BCADLO COCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072138203 132395214 /nfs/dbraw/zinc/39/52/14/132395214.db2.gz WEUZGKSSFSRQEY-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO c1ccc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]c1 ZINC000337820710 132455475 /nfs/dbraw/zinc/45/54/75/132455475.db2.gz QONLQXFECOYMTM-AOOOYVTPSA-N 1 2 206.245 0.686 20 0 BCADLO c1coc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000334203041 133584815 /nfs/dbraw/zinc/58/48/15/133584815.db2.gz PHRJDOMBIGESNZ-PHIMTYICSA-N 1 2 209.245 0.879 20 0 BCADLO c1coc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000334203041 133584816 /nfs/dbraw/zinc/58/48/16/133584816.db2.gz PHRJDOMBIGESNZ-PHIMTYICSA-N 1 2 209.245 0.879 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@H]1O ZINC000335138861 133797843 /nfs/dbraw/zinc/79/78/43/133797843.db2.gz MTYATUMRFMEAPH-NXEZZACHSA-N 1 2 221.260 0.457 20 0 BCADLO CO[C@@H]1C[NH+]([C@@H](C)c2nncn2C)C[C@H]1OC ZINC000347132374 133805909 /nfs/dbraw/zinc/80/59/09/133805909.db2.gz PEDNKFZWHCQMQO-IVZWLZJFSA-N 1 2 240.307 0.222 20 0 BCADLO c1nc2n(n1)CC[N@@H+](Cc1ccncc1)C2 ZINC000351914854 134001780 /nfs/dbraw/zinc/00/17/80/134001780.db2.gz GAAKUHQSQAWBRU-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1nc2n(n1)CC[N@H+](Cc1ccncc1)C2 ZINC000351914854 134001781 /nfs/dbraw/zinc/00/17/81/134001781.db2.gz GAAKUHQSQAWBRU-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CC[S@]1=O ZINC000351920306 134006138 /nfs/dbraw/zinc/00/61/38/134006138.db2.gz ZKIZTHNHJVSVNE-MGPLVRAMSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[S@]1=O ZINC000351920306 134006139 /nfs/dbraw/zinc/00/61/39/134006139.db2.gz ZKIZTHNHJVSVNE-MGPLVRAMSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000335925530 134008709 /nfs/dbraw/zinc/00/87/09/134008709.db2.gz ZJWRUVOOSXCNBJ-VXGBXAGGSA-N 1 2 239.363 0.491 20 0 BCADLO CC(C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335934518 134012335 /nfs/dbraw/zinc/01/23/35/134012335.db2.gz UQXOPTZKGGWMAP-GHMZBOCLSA-N 1 2 241.335 0.509 20 0 BCADLO CC(C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335934518 134012336 /nfs/dbraw/zinc/01/23/36/134012336.db2.gz UQXOPTZKGGWMAP-GHMZBOCLSA-N 1 2 241.335 0.509 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C)C1 ZINC000335970471 134029867 /nfs/dbraw/zinc/02/98/67/134029867.db2.gz MVSINSFGULILJE-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C)C1 ZINC000335970471 134029868 /nfs/dbraw/zinc/02/98/68/134029868.db2.gz MVSINSFGULILJE-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnns1 ZINC000352016719 134036665 /nfs/dbraw/zinc/03/66/65/134036665.db2.gz ZFXQENPMTDYVSW-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnns1 ZINC000352016719 134036666 /nfs/dbraw/zinc/03/66/66/134036666.db2.gz ZFXQENPMTDYVSW-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000335996809 134042928 /nfs/dbraw/zinc/04/29/28/134042928.db2.gz PFUMLIDHMRPYEU-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000335996809 134042929 /nfs/dbraw/zinc/04/29/29/134042929.db2.gz PFUMLIDHMRPYEU-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO C[C@H](CF)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022254 134055897 /nfs/dbraw/zinc/05/58/97/134055897.db2.gz KUVWLBGXPIPBGQ-HTQZYQBOSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@H](CF)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022254 134055898 /nfs/dbraw/zinc/05/58/98/134055898.db2.gz KUVWLBGXPIPBGQ-HTQZYQBOSA-N 1 2 240.282 0.924 20 0 BCADLO O=C([C@@H]1CCSC1)N1CCn2c[nH+]cc2C1 ZINC000336025377 134056867 /nfs/dbraw/zinc/05/68/67/134056867.db2.gz XVUIWQRZVWZWOQ-SECBINFHSA-N 1 2 237.328 0.978 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000336039795 134061203 /nfs/dbraw/zinc/06/12/03/134061203.db2.gz DTBXXFWWUNCKGB-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336057119 134066791 /nfs/dbraw/zinc/06/67/91/134066791.db2.gz YYIOITAHBCIOPJ-LLVKDONJSA-N 1 2 247.298 0.889 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336057119 134066792 /nfs/dbraw/zinc/06/67/92/134066792.db2.gz YYIOITAHBCIOPJ-LLVKDONJSA-N 1 2 247.298 0.889 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000352129769 134076772 /nfs/dbraw/zinc/07/67/72/134076772.db2.gz CPDHIWIPQNTSNP-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000352129769 134076773 /nfs/dbraw/zinc/07/67/73/134076773.db2.gz CPDHIWIPQNTSNP-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)S1=O ZINC000336089881 134077808 /nfs/dbraw/zinc/07/78/08/134077808.db2.gz ZTYPLCOWMKRLSL-RKDXNWHRSA-N 1 2 227.333 0.751 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@H](C)O)o1 ZINC000352185866 134099721 /nfs/dbraw/zinc/09/97/21/134099721.db2.gz GXLGPJLJCJBXAW-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)O)o1 ZINC000352185866 134099722 /nfs/dbraw/zinc/09/97/22/134099722.db2.gz GXLGPJLJCJBXAW-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336180209 134119236 /nfs/dbraw/zinc/11/92/36/134119236.db2.gz JOSRACFCEZZPJO-GFCCVEGCSA-N 1 2 232.283 0.639 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCc2ccc(O)cc2C1 ZINC000336180209 134119237 /nfs/dbraw/zinc/11/92/37/134119237.db2.gz JOSRACFCEZZPJO-GFCCVEGCSA-N 1 2 232.283 0.639 20 0 BCADLO C[C@@H](C[N@@H+]1CC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336199194 134128035 /nfs/dbraw/zinc/12/80/35/134128035.db2.gz QZQLCLURYBZSJV-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](C[N@H+]1CC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336199194 134128036 /nfs/dbraw/zinc/12/80/36/134128036.db2.gz QZQLCLURYBZSJV-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](CCO)CNC(=O)CCn1cc[nH+]c1 ZINC000085132489 134223576 /nfs/dbraw/zinc/22/35/76/134223576.db2.gz DJGYITJVZVHKLT-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO OCc1ccc(CN2CCn3cc[nH+]c3C2)o1 ZINC000169066796 134248786 /nfs/dbraw/zinc/24/87/86/134248786.db2.gz WRDCNJXXTKMWDR-UHFFFAOYSA-N 1 2 233.271 0.984 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000171075610 134256983 /nfs/dbraw/zinc/25/69/83/134256983.db2.gz FRQCXVIYHZUYTO-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000171075610 134256984 /nfs/dbraw/zinc/25/69/84/134256984.db2.gz FRQCXVIYHZUYTO-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OC)n1 ZINC000171859671 134261221 /nfs/dbraw/zinc/26/12/21/134261221.db2.gz CLFXVQPLSCBZAO-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OC)n1 ZINC000171859671 134261222 /nfs/dbraw/zinc/26/12/22/134261222.db2.gz CLFXVQPLSCBZAO-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO COC[C@H](C)[N@@H+]1CCc2ncnc(OC)c2C1 ZINC000173604431 134275796 /nfs/dbraw/zinc/27/57/96/134275796.db2.gz PFONTRGUBWRFGQ-VIFPVBQESA-N 1 2 237.303 0.878 20 0 BCADLO COC[C@H](C)[N@H+]1CCc2ncnc(OC)c2C1 ZINC000173604431 134275797 /nfs/dbraw/zinc/27/57/97/134275797.db2.gz PFONTRGUBWRFGQ-VIFPVBQESA-N 1 2 237.303 0.878 20 0 BCADLO C[C@@H]1CN(C(=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173803636 134277429 /nfs/dbraw/zinc/27/74/29/134277429.db2.gz RUFYUBXDTWCQGS-ZYHUDNBSSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@H]1CN(C(=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173803628 134277594 /nfs/dbraw/zinc/27/75/94/134277594.db2.gz RUFYUBXDTWCQGS-JQWIXIFHSA-N 1 2 238.331 0.576 20 0 BCADLO COCCOCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177499362 134298723 /nfs/dbraw/zinc/29/87/23/134298723.db2.gz DVEQNWAVFRGJCI-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO COCCOCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177499362 134298724 /nfs/dbraw/zinc/29/87/24/134298724.db2.gz DVEQNWAVFRGJCI-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000178148730 134306787 /nfs/dbraw/zinc/30/67/87/134306787.db2.gz DWYPBNMDPXUDEZ-VWYCJHECSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000178148730 134306788 /nfs/dbraw/zinc/30/67/88/134306788.db2.gz DWYPBNMDPXUDEZ-VWYCJHECSA-N 1 2 226.320 0.574 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1c[nH+]c[nH]1 ZINC000179739198 134320544 /nfs/dbraw/zinc/32/05/44/134320544.db2.gz XWFYPCSTGLOVKK-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1c[nH]c[nH+]1 ZINC000179739198 134320545 /nfs/dbraw/zinc/32/05/45/134320545.db2.gz XWFYPCSTGLOVKK-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H](C)CO ZINC000179513397 134321207 /nfs/dbraw/zinc/32/12/07/134321207.db2.gz UJKIGTMASHAZII-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H](C)CO ZINC000179513397 134321208 /nfs/dbraw/zinc/32/12/08/134321208.db2.gz UJKIGTMASHAZII-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO O=S(=O)(NCCCn1cc[nH+]c1)C1CC1 ZINC000179586370 134321933 /nfs/dbraw/zinc/32/19/33/134321933.db2.gz BGJGZOZEYGPOFE-UHFFFAOYSA-N 1 2 229.305 0.355 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000179578859 134322261 /nfs/dbraw/zinc/32/22/61/134322261.db2.gz AIPRFRYCJIBSED-JTQLQIEISA-N 1 2 248.282 0.865 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000179578859 134322262 /nfs/dbraw/zinc/32/22/62/134322262.db2.gz AIPRFRYCJIBSED-JTQLQIEISA-N 1 2 248.282 0.865 20 0 BCADLO c1nc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c[nH]1 ZINC000179845674 134324067 /nfs/dbraw/zinc/32/40/67/134324067.db2.gz VTEYDKMTACHQSM-GFCCVEGCSA-N 1 2 236.319 0.316 20 0 BCADLO c1ncc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)[nH]1 ZINC000179845674 134324068 /nfs/dbraw/zinc/32/40/68/134324068.db2.gz VTEYDKMTACHQSM-GFCCVEGCSA-N 1 2 236.319 0.316 20 0 BCADLO c1ncc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)[nH]1 ZINC000179845674 134324069 /nfs/dbraw/zinc/32/40/69/134324069.db2.gz VTEYDKMTACHQSM-GFCCVEGCSA-N 1 2 236.319 0.316 20 0 BCADLO Nc1ccnc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000182926204 134349982 /nfs/dbraw/zinc/34/99/82/134349982.db2.gz IUMGROYCQGDCSR-NSHDSACASA-N 1 2 244.298 0.882 20 0 BCADLO C[C@@H](O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184232816 134361295 /nfs/dbraw/zinc/36/12/95/134361295.db2.gz KUQITEHHCNUBPK-LLVKDONJSA-N 1 2 249.314 0.501 20 0 BCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC1 ZINC000226543393 134366247 /nfs/dbraw/zinc/36/62/47/134366247.db2.gz JHZPGVAXUUOSCL-VIFPVBQESA-N 1 2 237.259 0.020 20 0 BCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC1 ZINC000226543393 134366248 /nfs/dbraw/zinc/36/62/48/134366248.db2.gz JHZPGVAXUUOSCL-VIFPVBQESA-N 1 2 237.259 0.020 20 0 BCADLO Cc1cc(NC[C@@H](O)C(F)F)nc[nH+]1 ZINC000226572515 134366471 /nfs/dbraw/zinc/36/64/71/134366471.db2.gz IZVQPAINXMEDMJ-ZCFIWIBFSA-N 1 2 203.192 0.823 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000408087666 134390445 /nfs/dbraw/zinc/39/04/45/134390445.db2.gz FMNBBENHXSFKLC-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408091214 134391381 /nfs/dbraw/zinc/39/13/81/134391381.db2.gz UJOJALFIHSFNMW-DTWKUNHWSA-N 1 2 248.286 0.209 20 0 BCADLO COC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227767123 134392943 /nfs/dbraw/zinc/39/29/43/134392943.db2.gz KKNKHWNYTKNGIR-CBAPKCEASA-N 1 2 201.266 0.563 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185952909 134397298 /nfs/dbraw/zinc/39/72/98/134397298.db2.gz DKOYXQVVIRKPPN-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1nccc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185952909 134397299 /nfs/dbraw/zinc/39/72/99/134397299.db2.gz DKOYXQVVIRKPPN-LBPRGKRZSA-N 1 2 236.319 0.650 20 0 BCADLO CC[C@H]([NH2+]CCc1ccn(C)n1)C(=O)OC ZINC000228728374 134430312 /nfs/dbraw/zinc/43/03/12/134430312.db2.gz KGBGIRTULRCXFX-JTQLQIEISA-N 1 2 225.292 0.504 20 0 BCADLO CCOC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000233656052 134565292 /nfs/dbraw/zinc/56/52/92/134565292.db2.gz BYAFIBGIEDFQFP-SCZZXKLOSA-N 1 2 201.266 0.707 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(F)(F)F ZINC000163749719 134794488 /nfs/dbraw/zinc/79/44/88/134794488.db2.gz YDFNQFJDAWAYOP-NKWVEPMBSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(F)(F)F ZINC000163749719 134794492 /nfs/dbraw/zinc/79/44/92/134794492.db2.gz YDFNQFJDAWAYOP-NKWVEPMBSA-N 1 2 241.209 0.547 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)COC(C)C ZINC000070197545 134911274 /nfs/dbraw/zinc/91/12/74/134911274.db2.gz JCPHHHFQRICHRF-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)COC(C)C ZINC000070197545 134911277 /nfs/dbraw/zinc/91/12/77/134911277.db2.gz JCPHHHFQRICHRF-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1nccn1C ZINC000071138992 134929374 /nfs/dbraw/zinc/92/93/74/134929374.db2.gz XUWBZFHSZZIFIB-UWVGGRQHSA-N 1 2 238.335 0.813 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248396549 135005271 /nfs/dbraw/zinc/00/52/71/135005271.db2.gz QCYZLSXXOYSWDI-RNFRBKRXSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248396549 135005274 /nfs/dbraw/zinc/00/52/74/135005274.db2.gz QCYZLSXXOYSWDI-RNFRBKRXSA-N 1 2 240.225 0.249 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000248459224 135012394 /nfs/dbraw/zinc/01/23/94/135012394.db2.gz NNGBFAWLDPAUHZ-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000248459224 135012395 /nfs/dbraw/zinc/01/23/95/135012395.db2.gz NNGBFAWLDPAUHZ-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO CCC(=O)CC[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000248999812 135030066 /nfs/dbraw/zinc/03/00/66/135030066.db2.gz IHOLTLCEKOTOJE-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000248999812 135030068 /nfs/dbraw/zinc/03/00/68/135030068.db2.gz IHOLTLCEKOTOJE-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)CO1 ZINC000249082059 135032057 /nfs/dbraw/zinc/03/20/57/135032057.db2.gz SPQXAXLYZCLHQV-FRRDWIJNSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)[C@@H](C)CO1 ZINC000249082059 135032058 /nfs/dbraw/zinc/03/20/58/135032058.db2.gz SPQXAXLYZCLHQV-FRRDWIJNSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC000249110700 135032978 /nfs/dbraw/zinc/03/29/78/135032978.db2.gz XUAOUGZTFTYTNQ-VXGBXAGGSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC000249110700 135032979 /nfs/dbraw/zinc/03/29/79/135032979.db2.gz XUAOUGZTFTYTNQ-VXGBXAGGSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000249983518 135047259 /nfs/dbraw/zinc/04/72/59/135047259.db2.gz BFVLVTILUQABIW-VHSXEESVSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000249983518 135047261 /nfs/dbraw/zinc/04/72/61/135047261.db2.gz BFVLVTILUQABIW-VHSXEESVSA-N 1 2 226.320 0.716 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000250353348 135052404 /nfs/dbraw/zinc/05/24/04/135052404.db2.gz WXQYWPAYSDDWBS-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000250353348 135052407 /nfs/dbraw/zinc/05/24/07/135052407.db2.gz WXQYWPAYSDDWBS-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000250353344 135052802 /nfs/dbraw/zinc/05/28/02/135052802.db2.gz WXQYWPAYSDDWBS-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000250353344 135052804 /nfs/dbraw/zinc/05/28/04/135052804.db2.gz WXQYWPAYSDDWBS-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOC(C)C ZINC000163757456 135070794 /nfs/dbraw/zinc/07/07/94/135070794.db2.gz IQUQHCGCRQAGMW-VHSXEESVSA-N 1 2 231.292 0.020 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOC(C)C ZINC000163757456 135070796 /nfs/dbraw/zinc/07/07/96/135070796.db2.gz IQUQHCGCRQAGMW-VHSXEESVSA-N 1 2 231.292 0.020 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000247538091 135086394 /nfs/dbraw/zinc/08/63/94/135086394.db2.gz QKWQBEQYSNZZKH-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000247538091 135086396 /nfs/dbraw/zinc/08/63/96/135086396.db2.gz QKWQBEQYSNZZKH-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC000259338663 135104238 /nfs/dbraw/zinc/10/42/38/135104238.db2.gz JDUUAZCLFFRKRM-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC000259338663 135104239 /nfs/dbraw/zinc/10/42/39/135104239.db2.gz JDUUAZCLFFRKRM-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@H]([NH2+][C@H](C)[C@H](C)CO)C(=O)OC ZINC000252967725 135118387 /nfs/dbraw/zinc/11/83/87/135118387.db2.gz YGPALDNCGORISY-HLTSFMKQSA-N 1 2 203.282 0.545 20 0 BCADLO NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000078452202 135124813 /nfs/dbraw/zinc/12/48/13/135124813.db2.gz MQBYKTKMRKZTTJ-GFCCVEGCSA-N 1 2 249.314 0.728 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000259787146 135144718 /nfs/dbraw/zinc/14/47/18/135144718.db2.gz NEMKABQOZPBGDR-QMMMGPOBSA-N 1 2 203.282 0.498 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000259787146 135144719 /nfs/dbraw/zinc/14/47/19/135144719.db2.gz NEMKABQOZPBGDR-QMMMGPOBSA-N 1 2 203.282 0.498 20 0 BCADLO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353169343 135167214 /nfs/dbraw/zinc/16/72/14/135167214.db2.gz IZDNDRCRQWCUJR-ZETCQYMHSA-N 1 2 249.261 0.691 20 0 BCADLO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353169343 135167216 /nfs/dbraw/zinc/16/72/16/135167216.db2.gz IZDNDRCRQWCUJR-ZETCQYMHSA-N 1 2 249.261 0.691 20 0 BCADLO CNC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353168920 135167410 /nfs/dbraw/zinc/16/74/10/135167410.db2.gz IKMFHPCUOBERJL-SSDOTTSWSA-N 1 2 206.236 0.852 20 0 BCADLO CNC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353168920 135167411 /nfs/dbraw/zinc/16/74/11/135167411.db2.gz IKMFHPCUOBERJL-SSDOTTSWSA-N 1 2 206.236 0.852 20 0 BCADLO [NH3+]Cc1nc(CN2C[C@H]3CCC[C@@H]3C2)no1 ZINC000261535214 135169070 /nfs/dbraw/zinc/16/90/70/135169070.db2.gz WOXZHQZRAUVFAR-RKDXNWHRSA-N 1 2 222.292 0.760 20 0 BCADLO CS[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261539492 135178183 /nfs/dbraw/zinc/17/81/83/135178183.db2.gz COMHHWOQJVWEQB-RQJHMYQMSA-N 1 2 238.303 0.851 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081838 135181608 /nfs/dbraw/zinc/18/16/08/135181608.db2.gz RIQXBDOPBPQCJG-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081838 135181609 /nfs/dbraw/zinc/18/16/09/135181609.db2.gz RIQXBDOPBPQCJG-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnns1 ZINC000084081781 135181859 /nfs/dbraw/zinc/18/18/59/135181859.db2.gz UYXJBKOMWGQVLM-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnns1 ZINC000084081781 135181861 /nfs/dbraw/zinc/18/18/61/135181861.db2.gz UYXJBKOMWGQVLM-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298642731 135200256 /nfs/dbraw/zinc/20/02/56/135200256.db2.gz FMWCWTJNLCAMSU-UWVGGRQHSA-N 1 2 237.303 0.804 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298642736 135200493 /nfs/dbraw/zinc/20/04/93/135200493.db2.gz FMWCWTJNLCAMSU-VHSXEESVSA-N 1 2 237.303 0.804 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000342303737 135257759 /nfs/dbraw/zinc/25/77/59/135257759.db2.gz UTXCVQISNQNMQL-ZDUSSCGKSA-N 1 2 246.314 0.979 20 0 BCADLO C[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)C1C[NH2+]C1 ZINC000262275108 135288668 /nfs/dbraw/zinc/28/86/68/135288668.db2.gz WHSRAAAECNDBSS-SSDOTTSWSA-N 1 2 245.286 0.752 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cncn1C ZINC000342629038 135297649 /nfs/dbraw/zinc/29/76/49/135297649.db2.gz DDVZYYRWSRNXRU-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cncn1C ZINC000342629038 135297650 /nfs/dbraw/zinc/29/76/50/135297650.db2.gz DDVZYYRWSRNXRU-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)N(C)Cc1c[nH+]cn1C ZINC000342629038 135297652 /nfs/dbraw/zinc/29/76/52/135297652.db2.gz DDVZYYRWSRNXRU-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@](C)=O)nc1 ZINC000342632995 135298647 /nfs/dbraw/zinc/29/86/47/135298647.db2.gz HTBUYUFGGRKCCK-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@](C)=O)nc1 ZINC000342632995 135298648 /nfs/dbraw/zinc/29/86/48/135298648.db2.gz HTBUYUFGGRKCCK-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cn1 ZINC000342639671 135299751 /nfs/dbraw/zinc/29/97/51/135299751.db2.gz OHFRYNAPHLZLQY-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@](C)=O)cn1 ZINC000342639671 135299752 /nfs/dbraw/zinc/29/97/52/135299752.db2.gz OHFRYNAPHLZLQY-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@H]2C(N)=O)n1C ZINC000342789921 135318260 /nfs/dbraw/zinc/31/82/60/135318260.db2.gz YYWCLSKOOHSBCI-VIFPVBQESA-N 1 2 222.292 0.178 20 0 BCADLO Cc1c[nH+]c(CN2CCCC[C@@H]2C(N)=O)n1C ZINC000342789101 135318906 /nfs/dbraw/zinc/31/89/06/135318906.db2.gz XJLBHRWTJJOJAM-SNVBAGLBSA-N 1 2 236.319 0.568 20 0 BCADLO Cc1c[nH+]c(CN(CC(N)=O)C(C)C)n1C ZINC000342797552 135321406 /nfs/dbraw/zinc/32/14/06/135321406.db2.gz PMCGRUWDHYZRGJ-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1nccn2cnnc12 ZINC000079469103 135322514 /nfs/dbraw/zinc/32/25/14/135322514.db2.gz DWHUPVXWUPUQEH-SECBINFHSA-N 1 2 243.274 0.821 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccn2cnnc12 ZINC000079469101 135322669 /nfs/dbraw/zinc/32/26/69/135322669.db2.gz DWHUPVXWUPUQEH-VIFPVBQESA-N 1 2 243.274 0.821 20 0 BCADLO CCn1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000262908960 135323275 /nfs/dbraw/zinc/32/32/75/135323275.db2.gz FKZXXJLBXHZPOF-QMMMGPOBSA-N 1 2 244.245 0.839 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000334166431 135323499 /nfs/dbraw/zinc/32/34/99/135323499.db2.gz AMTHFAAKBAONBG-QWRGUYRKSA-N 1 2 249.314 0.915 20 0 BCADLO Cc1c[nH+]c(CN2CCCNC(=O)[C@H]2C)n1C ZINC000342767681 135326198 /nfs/dbraw/zinc/32/61/98/135326198.db2.gz FGWVZSCCTMCGLA-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](O)C3(CC3)C2)n1C ZINC000342769491 135326476 /nfs/dbraw/zinc/32/64/76/135326476.db2.gz SHLODVYWBPDTKV-SNVBAGLBSA-N 1 2 221.304 0.685 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263012129 135326457 /nfs/dbraw/zinc/32/64/57/135326457.db2.gz PUUDPBGIRPUJMQ-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263069995 135330445 /nfs/dbraw/zinc/33/04/45/135330445.db2.gz WJFUTRBYAMARJX-ZCFIWIBFSA-N 1 2 230.218 0.356 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C(=O)c1cccn1C ZINC000334295297 135342181 /nfs/dbraw/zinc/34/21/81/135342181.db2.gz WDXNUIQAPPZMDY-UHFFFAOYSA-N 1 2 243.266 0.972 20 0 BCADLO Cn1nnnc1C[NH2+]C1(c2ccccc2)CC1 ZINC000343002490 135343619 /nfs/dbraw/zinc/34/36/19/135343619.db2.gz JNGSUVJXSDYUKF-UHFFFAOYSA-N 1 2 229.287 0.989 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334313639 135351457 /nfs/dbraw/zinc/35/14/57/135351457.db2.gz XTAXEFZREPXXKN-SNVBAGLBSA-N 1 2 207.277 0.675 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334313639 135351459 /nfs/dbraw/zinc/35/14/59/135351459.db2.gz XTAXEFZREPXXKN-SNVBAGLBSA-N 1 2 207.277 0.675 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)COCC(C)C ZINC000343113636 135357823 /nfs/dbraw/zinc/35/78/23/135357823.db2.gz IUYHLDHUQPODHW-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)COCC(C)C ZINC000343113636 135357824 /nfs/dbraw/zinc/35/78/24/135357824.db2.gz IUYHLDHUQPODHW-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)C(C)(C)C ZINC000343129887 135359018 /nfs/dbraw/zinc/35/90/18/135359018.db2.gz IOCPRWYOBFIZEJ-LLVKDONJSA-N 1 2 242.363 0.805 20 0 BCADLO Cc1ccncc1C(=O)N1CC[NH+](CCO)CC1 ZINC000343125884 135359236 /nfs/dbraw/zinc/35/92/36/135359236.db2.gz ZXNIPPJILLXBCE-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO CCn1cc(CNC(=O)Cc2[nH+]c[nH]c2C)cn1 ZINC000343132469 135360113 /nfs/dbraw/zinc/36/01/13/135360113.db2.gz MKTRCVHFHMKCMG-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO C[C@H](O)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000080048280 135365524 /nfs/dbraw/zinc/36/55/24/135365524.db2.gz RGMMFCALUBQMND-JTQLQIEISA-N 1 2 247.298 0.764 20 0 BCADLO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCNC1=O ZINC000334352863 135369596 /nfs/dbraw/zinc/36/95/96/135369596.db2.gz XTFKPPUOPIHEGP-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCNC1=O ZINC000334352863 135369598 /nfs/dbraw/zinc/36/95/98/135369598.db2.gz XTFKPPUOPIHEGP-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO CN(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000334380718 135380389 /nfs/dbraw/zinc/38/03/89/135380389.db2.gz ISYLEZOUCIIGQF-JTQLQIEISA-N 1 2 227.308 0.075 20 0 BCADLO CCN(CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000081181446 135386658 /nfs/dbraw/zinc/38/66/58/135386658.db2.gz MAVVMGFJXAYNHM-UHFFFAOYSA-N 1 2 229.324 0.058 20 0 BCADLO CC(C)[C@@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334411046 135392523 /nfs/dbraw/zinc/39/25/23/135392523.db2.gz JZGMPVWUMHMPRJ-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000334425462 135397362 /nfs/dbraw/zinc/39/73/62/135397362.db2.gz UPYAZECGZJENKT-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccco1 ZINC000090698653 135551742 /nfs/dbraw/zinc/55/17/42/135551742.db2.gz HUBKRNMZZDSAEQ-SNVBAGLBSA-N 1 2 235.287 0.009 20 0 BCADLO COc1ccc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC000345223209 135892169 /nfs/dbraw/zinc/89/21/69/135892169.db2.gz SXFGAGNBTLDNHV-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO COC1CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000335282934 136000720 /nfs/dbraw/zinc/00/07/20/136000720.db2.gz ZGGIVPOVNVEGSE-UHFFFAOYSA-N 1 2 245.282 0.734 20 0 BCADLO COCC[N@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347711652 136003187 /nfs/dbraw/zinc/00/31/87/136003187.db2.gz YAYKLSRHZUUGNR-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO COCC[N@@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347711652 136003188 /nfs/dbraw/zinc/00/31/88/136003188.db2.gz YAYKLSRHZUUGNR-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO OCCC[N@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347697017 136006866 /nfs/dbraw/zinc/00/68/66/136006866.db2.gz HIWQLSSJIMNDFG-UHFFFAOYSA-N 1 2 249.261 0.455 20 0 BCADLO OCCC[N@@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347697017 136006867 /nfs/dbraw/zinc/00/68/67/136006867.db2.gz HIWQLSSJIMNDFG-UHFFFAOYSA-N 1 2 249.261 0.455 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ncon1 ZINC000347697634 136006945 /nfs/dbraw/zinc/00/69/45/136006945.db2.gz VXNHZLJNWIVDDJ-PHDIDXHHSA-N 1 2 246.217 0.244 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000347775318 136008905 /nfs/dbraw/zinc/00/89/05/136008905.db2.gz FZHFYCMXPHZYHK-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000347775318 136008906 /nfs/dbraw/zinc/00/89/06/136008906.db2.gz FZHFYCMXPHZYHK-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccon1 ZINC000347775370 136008945 /nfs/dbraw/zinc/00/89/45/136008945.db2.gz LHHMNUNUDJUFCT-QMMMGPOBSA-N 1 2 249.274 0.969 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccon1 ZINC000347786594 136009918 /nfs/dbraw/zinc/00/99/18/136009918.db2.gz ROMUYSVCQHEMEA-VIFPVBQESA-N 1 2 249.274 0.932 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000347909478 136015871 /nfs/dbraw/zinc/01/58/71/136015871.db2.gz INPUXQMLXBSOKB-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000347909478 136015872 /nfs/dbraw/zinc/01/58/72/136015872.db2.gz INPUXQMLXBSOKB-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000347916786 136018152 /nfs/dbraw/zinc/01/81/52/136018152.db2.gz KHJVHFIRNHVONA-VIFPVBQESA-N 1 2 222.292 0.049 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000347916786 136018153 /nfs/dbraw/zinc/01/81/53/136018153.db2.gz KHJVHFIRNHVONA-VIFPVBQESA-N 1 2 222.292 0.049 20 0 BCADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](CO)C1 ZINC000367016282 136018745 /nfs/dbraw/zinc/01/87/45/136018745.db2.gz PFGIMWJBCNOXLN-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO CSC1(C[N@H+](C)Cc2nnnn2C)CC1 ZINC000347921333 136018771 /nfs/dbraw/zinc/01/87/71/136018771.db2.gz PWSTWPGGHQDZLO-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO CSC1(C[N@@H+](C)Cc2nnnn2C)CC1 ZINC000347921333 136018772 /nfs/dbraw/zinc/01/87/72/136018772.db2.gz PWSTWPGGHQDZLO-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO COCC[N@H+](C)Cc1nc(COC)no1 ZINC000347987418 136022960 /nfs/dbraw/zinc/02/29/60/136022960.db2.gz DRMKWGOHMNJKEN-UHFFFAOYSA-N 1 2 215.253 0.294 20 0 BCADLO COCC[N@@H+](C)Cc1nc(COC)no1 ZINC000347987418 136022961 /nfs/dbraw/zinc/02/29/61/136022961.db2.gz DRMKWGOHMNJKEN-UHFFFAOYSA-N 1 2 215.253 0.294 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348094485 136035578 /nfs/dbraw/zinc/03/55/78/136035578.db2.gz GLHTVDRZGYNXAI-YUMQZZPRSA-N 1 2 240.307 0.943 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCC(=O)NC(C)C)n1 ZINC000348092779 136035748 /nfs/dbraw/zinc/03/57/48/136035748.db2.gz AQYLERFWTVKETP-QMMMGPOBSA-N 1 2 240.307 0.943 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCN2CCCC2=O)n1 ZINC000348096527 136035935 /nfs/dbraw/zinc/03/59/35/136035935.db2.gz QPYDLUGIQGHOLA-QMMMGPOBSA-N 1 2 238.291 0.651 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348098529 136036408 /nfs/dbraw/zinc/03/64/08/136036408.db2.gz UACBTUOYKDLYOT-YUMQZZPRSA-N 1 2 240.307 0.943 20 0 BCADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cscn1 ZINC000348187242 136039963 /nfs/dbraw/zinc/03/99/63/136039963.db2.gz POSXSQPCDDHAHP-APPZFPTMSA-N 1 2 246.357 0.666 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335324945 136051335 /nfs/dbraw/zinc/05/13/35/136051335.db2.gz NKLMGWHCKOCYDC-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335324945 136051336 /nfs/dbraw/zinc/05/13/36/136051336.db2.gz NKLMGWHCKOCYDC-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348207168 136054663 /nfs/dbraw/zinc/05/46/63/136054663.db2.gz CMWPAMMQKYLDMJ-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348207168 136054664 /nfs/dbraw/zinc/05/46/64/136054664.db2.gz CMWPAMMQKYLDMJ-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cnccn1 ZINC000348374955 136073753 /nfs/dbraw/zinc/07/37/53/136073753.db2.gz GSDNMJOAMHANRK-UHFFFAOYSA-N 1 2 244.254 0.810 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000348383680 136074280 /nfs/dbraw/zinc/07/42/80/136074280.db2.gz YRSXYOKOMQFMFT-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000348383680 136074281 /nfs/dbraw/zinc/07/42/81/136074281.db2.gz YRSXYOKOMQFMFT-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cnn(C)c1 ZINC000348334977 136075854 /nfs/dbraw/zinc/07/58/54/136075854.db2.gz QNWHHCDMASCNKH-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348399004 136076481 /nfs/dbraw/zinc/07/64/81/136076481.db2.gz IPDAOBXNGVEZAQ-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348399004 136076482 /nfs/dbraw/zinc/07/64/82/136076482.db2.gz IPDAOBXNGVEZAQ-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000348415361 136077343 /nfs/dbraw/zinc/07/73/43/136077343.db2.gz ZKUGTPLDKVOGAG-GFCCVEGCSA-N 1 2 248.330 0.615 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000348415361 136077344 /nfs/dbraw/zinc/07/73/44/136077344.db2.gz ZKUGTPLDKVOGAG-GFCCVEGCSA-N 1 2 248.330 0.615 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCSC1 ZINC000335369968 136082807 /nfs/dbraw/zinc/08/28/07/136082807.db2.gz QXDQPSSPMOWUDG-MRVPVSSYSA-N 1 2 225.317 0.789 20 0 BCADLO O=C(COC(F)F)NCCCn1cc[nH+]c1 ZINC000348497043 136094497 /nfs/dbraw/zinc/09/44/97/136094497.db2.gz SRPBHCDBUGVRMT-UHFFFAOYSA-N 1 2 233.218 0.629 20 0 BCADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCOC1 ZINC000335547988 136096828 /nfs/dbraw/zinc/09/68/28/136096828.db2.gz MVQXSPVIMTZOPR-JQWIXIFHSA-N 1 2 249.314 0.693 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]1CO ZINC000360104557 397779414 /nfs/dbraw/zinc/77/94/14/397779414.db2.gz MCSLMBQOVFKBLE-SECBINFHSA-N 1 2 238.291 0.086 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000361555896 397788145 /nfs/dbraw/zinc/78/81/45/397788145.db2.gz UIJCYWCNECTVHZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000361555896 397788148 /nfs/dbraw/zinc/78/81/48/397788148.db2.gz UIJCYWCNECTVHZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO CC1(O)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000179232112 397805459 /nfs/dbraw/zinc/80/54/59/397805459.db2.gz UJAAPEBYIWTDHT-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@]1(C)CCOC1 ZINC000153479439 397740469 /nfs/dbraw/zinc/74/04/69/397740469.db2.gz VUZCCCLTOVIGFC-NSHDSACASA-N 1 2 233.275 0.954 20 0 BCADLO COC[C@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000308914275 397842961 /nfs/dbraw/zinc/84/29/61/397842961.db2.gz FKTGQRNPPMFYSD-SCZZXKLOSA-N 1 2 215.293 0.953 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COc1cccnc1 ZINC000169828558 397817558 /nfs/dbraw/zinc/81/75/58/397817558.db2.gz WGXMLHNQIUIVNJ-UHFFFAOYSA-N 1 2 246.270 0.510 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCOC2)c[nH+]1 ZINC000264833501 397928259 /nfs/dbraw/zinc/92/82/59/397928259.db2.gz JMGUGHWMTBDSDW-QMMMGPOBSA-N 1 2 209.249 0.484 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCC(=O)N1 ZINC000649538620 397929012 /nfs/dbraw/zinc/92/90/12/397929012.db2.gz UJGLWFBQMPRQJX-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1CCC(=O)N1 ZINC000649538620 397929014 /nfs/dbraw/zinc/92/90/14/397929014.db2.gz UJGLWFBQMPRQJX-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@@H]2CC=CCC2)n1 ZINC000440526115 397929655 /nfs/dbraw/zinc/92/96/55/397929655.db2.gz LBKFCSXHJNLDGR-SNVBAGLBSA-N 1 2 221.308 0.998 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CC=CCC2)n1 ZINC000440526115 397929661 /nfs/dbraw/zinc/92/96/61/397929661.db2.gz LBKFCSXHJNLDGR-SNVBAGLBSA-N 1 2 221.308 0.998 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000408130698 397930285 /nfs/dbraw/zinc/93/02/85/397930285.db2.gz FAVKCOPHXSNBNS-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000408130698 397930289 /nfs/dbraw/zinc/93/02/89/397930289.db2.gz FAVKCOPHXSNBNS-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ncnn1CCF ZINC000440529117 397931482 /nfs/dbraw/zinc/93/14/82/397931482.db2.gz XILGJOUCRAITPS-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ncnn1CCF ZINC000440529117 397931486 /nfs/dbraw/zinc/93/14/86/397931486.db2.gz XILGJOUCRAITPS-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO Cc1cncc(CC[N@H+]2CCN(C)C(=O)C2)n1 ZINC000649539218 397933537 /nfs/dbraw/zinc/93/35/37/397933537.db2.gz NLCGIZCKGUGNRI-UHFFFAOYSA-N 1 2 234.303 0.102 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCN(C)C(=O)C2)n1 ZINC000649539218 397933539 /nfs/dbraw/zinc/93/35/39/397933539.db2.gz NLCGIZCKGUGNRI-UHFFFAOYSA-N 1 2 234.303 0.102 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn(CC2CC2)c1 ZINC000631239860 397935706 /nfs/dbraw/zinc/93/57/06/397935706.db2.gz XGTZAVXJLWLLTO-UHFFFAOYSA-N 1 2 245.286 0.946 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000380040638 397966766 /nfs/dbraw/zinc/96/67/66/397966766.db2.gz UHDAMLJGHQLASW-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO Cc1ccc(O)c(NC(=O)Cn2cc[nH+]c2)n1 ZINC000360783341 397967343 /nfs/dbraw/zinc/96/73/43/397967343.db2.gz RCJAKTAPLMLZNC-UHFFFAOYSA-N 1 2 232.243 0.931 20 0 BCADLO Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)n(C)n1 ZINC000408163106 397957197 /nfs/dbraw/zinc/95/71/97/397957197.db2.gz BDSKAYVWXXPRKM-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO Cc1nc(NCC2(O)CCCCC2)nc(N)[nH+]1 ZINC000302637288 397957610 /nfs/dbraw/zinc/95/76/10/397957610.db2.gz RZJLXVMPGAEUTI-UHFFFAOYSA-N 1 2 237.307 0.869 20 0 BCADLO Cc1nc(N)nc(NCC2(O)CCCCC2)[nH+]1 ZINC000302637288 397957613 /nfs/dbraw/zinc/95/76/13/397957613.db2.gz RZJLXVMPGAEUTI-UHFFFAOYSA-N 1 2 237.307 0.869 20 0 BCADLO Cc1nnsc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000649570827 397960835 /nfs/dbraw/zinc/96/08/35/397960835.db2.gz PTFNTYRBDJZHRN-ZETCQYMHSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000649570827 397960836 /nfs/dbraw/zinc/96/08/36/397960836.db2.gz PTFNTYRBDJZHRN-ZETCQYMHSA-N 1 2 240.332 0.557 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570855 397960842 /nfs/dbraw/zinc/96/08/42/397960842.db2.gz QQJDBTLUNISWIW-SNVBAGLBSA-N 1 2 248.330 0.540 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570855 397960844 /nfs/dbraw/zinc/96/08/44/397960844.db2.gz QQJDBTLUNISWIW-SNVBAGLBSA-N 1 2 248.330 0.540 20 0 BCADLO C=Cn1cc(C[NH+]2CCN(C(C)=O)CC2)cn1 ZINC000193591805 397896838 /nfs/dbraw/zinc/89/68/38/397896838.db2.gz CHIQCFQXOJUIIC-UHFFFAOYSA-N 1 2 234.303 0.648 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649571352 397961787 /nfs/dbraw/zinc/96/17/87/397961787.db2.gz HVMOIPSXIBLNJX-VIFPVBQESA-N 1 2 249.318 0.072 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649571352 397961789 /nfs/dbraw/zinc/96/17/89/397961789.db2.gz HVMOIPSXIBLNJX-VIFPVBQESA-N 1 2 249.318 0.072 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC(=O)NC1 ZINC000110909562 397904852 /nfs/dbraw/zinc/90/48/52/397904852.db2.gz XCAHHPYNKLGDTQ-ZETCQYMHSA-N 1 2 246.274 0.054 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1ncc[nH]1 ZINC000111280247 397907003 /nfs/dbraw/zinc/90/70/03/397907003.db2.gz BRALSDVZORZVET-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1ncc[nH]1 ZINC000111280247 397907011 /nfs/dbraw/zinc/90/70/11/397907011.db2.gz BRALSDVZORZVET-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO CN(CCn1cccn1)Cc1[nH]cc[nH+]1 ZINC000111280247 397907015 /nfs/dbraw/zinc/90/70/15/397907015.db2.gz BRALSDVZORZVET-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000372296577 398000809 /nfs/dbraw/zinc/00/08/09/398000809.db2.gz RRABNXIZQTZISJ-SNVBAGLBSA-N 1 2 249.314 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000372296577 398000813 /nfs/dbraw/zinc/00/08/13/398000813.db2.gz RRABNXIZQTZISJ-SNVBAGLBSA-N 1 2 249.314 0.701 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649622843 398008162 /nfs/dbraw/zinc/00/81/62/398008162.db2.gz WYTPPLAFICZOAI-LLVKDONJSA-N 1 2 234.303 0.279 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649622843 398008165 /nfs/dbraw/zinc/00/81/65/398008165.db2.gz WYTPPLAFICZOAI-LLVKDONJSA-N 1 2 234.303 0.279 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000649635013 398015196 /nfs/dbraw/zinc/01/51/96/398015196.db2.gz BAKPECJXVXJJEC-UHFFFAOYSA-N 1 2 234.303 0.137 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CCOC1 ZINC000583702269 398037632 /nfs/dbraw/zinc/03/76/32/398037632.db2.gz OIIKRLACQITMMG-JOYOIKCWSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CCOC1 ZINC000583702269 398037635 /nfs/dbraw/zinc/03/76/35/398037635.db2.gz OIIKRLACQITMMG-JOYOIKCWSA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](C)O)C(C)C ZINC000451600386 397978492 /nfs/dbraw/zinc/97/84/92/397978492.db2.gz YLCOKVSTHWIADS-ZJUUUORDSA-N 1 2 217.309 0.933 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncccc1Cl ZINC000528425402 397982049 /nfs/dbraw/zinc/98/20/49/397982049.db2.gz BIDIGFBDZGQIJB-DTWKUNHWSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncccc1Cl ZINC000528425402 397982054 /nfs/dbraw/zinc/98/20/54/397982054.db2.gz BIDIGFBDZGQIJB-DTWKUNHWSA-N 1 2 242.706 0.663 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000452135410 397985330 /nfs/dbraw/zinc/98/53/30/397985330.db2.gz VYDYDUPPZWTVHY-QWRGUYRKSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000452135410 397985332 /nfs/dbraw/zinc/98/53/32/397985332.db2.gz VYDYDUPPZWTVHY-QWRGUYRKSA-N 1 2 218.316 0.733 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCO1 ZINC000279292909 398044059 /nfs/dbraw/zinc/04/40/59/398044059.db2.gz YHTGYQXCAMDGGQ-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCCCO1 ZINC000279292909 398044064 /nfs/dbraw/zinc/04/40/64/398044064.db2.gz YHTGYQXCAMDGGQ-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1ncccn1 ZINC000192019592 398061920 /nfs/dbraw/zinc/06/19/20/398061920.db2.gz JFFKBEKBPOWNJW-UHFFFAOYSA-N 1 2 217.276 0.805 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1ncccn1 ZINC000192019592 398061924 /nfs/dbraw/zinc/06/19/24/398061924.db2.gz JFFKBEKBPOWNJW-UHFFFAOYSA-N 1 2 217.276 0.805 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnns1 ZINC000649764484 398092593 /nfs/dbraw/zinc/09/25/93/398092593.db2.gz DSMUOHNTRUOZHK-HTQZYQBOSA-N 1 2 229.305 0.120 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cnns1 ZINC000649764484 398092594 /nfs/dbraw/zinc/09/25/94/398092594.db2.gz DSMUOHNTRUOZHK-HTQZYQBOSA-N 1 2 229.305 0.120 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649729580 398067833 /nfs/dbraw/zinc/06/78/33/398067833.db2.gz BZWYUSMOBXFGTH-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649729580 398067835 /nfs/dbraw/zinc/06/78/35/398067835.db2.gz BZWYUSMOBXFGTH-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000649730583 398069310 /nfs/dbraw/zinc/06/93/10/398069310.db2.gz ULSNYQXILVMANL-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000649730583 398069314 /nfs/dbraw/zinc/06/93/14/398069314.db2.gz ULSNYQXILVMANL-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H](O)C1 ZINC000283251828 398070238 /nfs/dbraw/zinc/07/02/38/398070238.db2.gz URNJDPWURRWPJG-SOBLQNQXSA-N 1 2 235.287 0.700 20 0 BCADLO CN(CC1(CO)CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283274789 398071303 /nfs/dbraw/zinc/07/13/03/398071303.db2.gz VVZFMIOFDHURDU-NSCUHMNNSA-N 1 2 235.287 0.654 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000283473451 398073947 /nfs/dbraw/zinc/07/39/47/398073947.db2.gz PLYBPNRNIXZZGH-ZJUUUORDSA-N 1 2 237.303 0.896 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000283473447 398074060 /nfs/dbraw/zinc/07/40/60/398074060.db2.gz PLYBPNRNIXZZGH-VHSXEESVSA-N 1 2 237.303 0.896 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)CO1 ZINC000649735027 398075427 /nfs/dbraw/zinc/07/54/27/398075427.db2.gz DVFLPWOZYJKHRY-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)CO1 ZINC000649735027 398075429 /nfs/dbraw/zinc/07/54/29/398075429.db2.gz DVFLPWOZYJKHRY-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO CO[C@@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000389451264 398094300 /nfs/dbraw/zinc/09/43/00/398094300.db2.gz SWEVLFIFAYXTRN-LURJTMIESA-N 1 2 211.269 0.064 20 0 BCADLO CO[C@@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000389451264 398094301 /nfs/dbraw/zinc/09/43/01/398094301.db2.gz SWEVLFIFAYXTRN-LURJTMIESA-N 1 2 211.269 0.064 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnns1 ZINC000649744563 398082422 /nfs/dbraw/zinc/08/24/22/398082422.db2.gz DSMUOHNTRUOZHK-JGVFFNPUSA-N 1 2 229.305 0.120 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnns1 ZINC000649744563 398082423 /nfs/dbraw/zinc/08/24/23/398082423.db2.gz DSMUOHNTRUOZHK-JGVFFNPUSA-N 1 2 229.305 0.120 20 0 BCADLO CC[N@H+](Cc1ncnn1C)[C@H]1CCCOC1 ZINC000649757393 398087490 /nfs/dbraw/zinc/08/74/90/398087490.db2.gz MPWSOCWQEQZYOK-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)[C@H]1CCCOC1 ZINC000649757393 398087494 /nfs/dbraw/zinc/08/74/94/398087494.db2.gz MPWSOCWQEQZYOK-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000291578351 398095787 /nfs/dbraw/zinc/09/57/87/398095787.db2.gz OONFRHVVLHTOBJ-NSHDSACASA-N 1 2 248.330 0.915 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000291578351 398095788 /nfs/dbraw/zinc/09/57/88/398095788.db2.gz OONFRHVVLHTOBJ-NSHDSACASA-N 1 2 248.330 0.915 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(CCCO)nn1 ZINC000384027809 398055522 /nfs/dbraw/zinc/05/55/22/398055522.db2.gz KWHNSJUMHOACCE-UHFFFAOYSA-N 1 2 232.287 0.955 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000649798781 398107974 /nfs/dbraw/zinc/10/79/74/398107974.db2.gz HZOHXGVBKQRSGY-SECBINFHSA-N 1 2 239.323 0.051 20 0 BCADLO C[N@H+](CC(N)=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068810723 398097716 /nfs/dbraw/zinc/09/77/16/398097716.db2.gz QKWBYWQTYWRDPA-LLVKDONJSA-N 1 2 247.298 0.209 20 0 BCADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068810723 398097718 /nfs/dbraw/zinc/09/77/18/398097718.db2.gz QKWBYWQTYWRDPA-LLVKDONJSA-N 1 2 247.298 0.209 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCCCO1 ZINC000245908450 398119524 /nfs/dbraw/zinc/11/95/24/398119524.db2.gz NUGRMRJRNPABAR-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCCO1 ZINC000245908450 398119528 /nfs/dbraw/zinc/11/95/28/398119528.db2.gz NUGRMRJRNPABAR-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000649802042 398109969 /nfs/dbraw/zinc/10/99/69/398109969.db2.gz DHIMJPIVAIVWCZ-VIFPVBQESA-N 1 2 239.323 0.051 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000649802041 398110087 /nfs/dbraw/zinc/11/00/87/398110087.db2.gz DHIMJPIVAIVWCZ-SECBINFHSA-N 1 2 239.323 0.051 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C2(CCC2)CO1 ZINC000649825747 398128088 /nfs/dbraw/zinc/12/80/88/398128088.db2.gz GACQHESAEUYRIE-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C2(CCC2)CO1 ZINC000649825747 398128090 /nfs/dbraw/zinc/12/80/90/398128090.db2.gz GACQHESAEUYRIE-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649821952 398123531 /nfs/dbraw/zinc/12/35/31/398123531.db2.gz VCTDHJSIBUKCRY-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649821952 398123534 /nfs/dbraw/zinc/12/35/34/398123534.db2.gz VCTDHJSIBUKCRY-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO O=[S@@]1CC[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000334447518 398133030 /nfs/dbraw/zinc/13/30/30/398133030.db2.gz QHFROWQNHUTYLX-VPTHRUTESA-N 1 2 235.312 0.918 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000547865126 398133544 /nfs/dbraw/zinc/13/35/44/398133544.db2.gz GIZGKOGSDIECMJ-GFCCVEGCSA-N 1 2 249.314 0.600 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368782596 167021779 /nfs/dbraw/zinc/02/17/79/167021779.db2.gz CPLJTGLPWGSIIF-SNVBAGLBSA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368782596 167021781 /nfs/dbraw/zinc/02/17/81/167021781.db2.gz CPLJTGLPWGSIIF-SNVBAGLBSA-N 1 2 227.304 0.642 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@@H](O)C1 ZINC000227848152 487561330 /nfs/dbraw/zinc/56/13/30/487561330.db2.gz LNBVCGVLPMEFQI-HTQZYQBOSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@@H](O)C1 ZINC000227848152 487561335 /nfs/dbraw/zinc/56/13/35/487561335.db2.gz LNBVCGVLPMEFQI-HTQZYQBOSA-N 1 2 238.291 0.640 20 0 BCADLO CC(C)OCC(=O)NCCn1cc[nH+]c1 ZINC000063745017 167187256 /nfs/dbraw/zinc/18/72/56/167187256.db2.gz DCYBSUKLZQUYQS-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO O[C@@H]1C[C@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000674412989 487571630 /nfs/dbraw/zinc/57/16/30/487571630.db2.gz YLICINMNYDJZQQ-AOOOYVTPSA-N 1 2 235.287 0.286 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)CC(=O)N1C ZINC000669718149 487573612 /nfs/dbraw/zinc/57/36/12/487573612.db2.gz UUJWYDFBKWEPEW-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CC(=O)N1C ZINC000669718149 487573615 /nfs/dbraw/zinc/57/36/15/487573615.db2.gz UUJWYDFBKWEPEW-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cscn1 ZINC000673653280 487575642 /nfs/dbraw/zinc/57/56/42/487575642.db2.gz NPWMOVAECFMGDR-UHFFFAOYSA-N 1 2 222.273 0.656 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@H](C(F)F)C2)nc1=O ZINC000680377801 487578709 /nfs/dbraw/zinc/57/87/09/487578709.db2.gz ZURQLMQERSGKFS-LURJTMIESA-N 1 2 232.234 0.195 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@H](C(F)F)C2)nc1=O ZINC000680377801 487578712 /nfs/dbraw/zinc/57/87/12/487578712.db2.gz ZURQLMQERSGKFS-LURJTMIESA-N 1 2 232.234 0.195 20 0 BCADLO CCC[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000077930807 487579632 /nfs/dbraw/zinc/57/96/32/487579632.db2.gz SSPWZSWLLJQAHI-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc[nH]c1 ZINC000672156096 487581357 /nfs/dbraw/zinc/58/13/57/487581357.db2.gz HGCLGNPHYJXHPL-SNVBAGLBSA-N 1 2 230.271 0.956 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cs1 ZINC000674466307 487582397 /nfs/dbraw/zinc/58/23/97/487582397.db2.gz ZTNYXTPFCAUDNI-AOOOYVTPSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cs1 ZINC000674466307 487582401 /nfs/dbraw/zinc/58/24/01/487582401.db2.gz ZTNYXTPFCAUDNI-AOOOYVTPSA-N 1 2 228.317 0.379 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1F ZINC000680388425 487582733 /nfs/dbraw/zinc/58/27/33/487582733.db2.gz UCWGQSFKHAFBDA-JGVFFNPUSA-N 1 2 228.271 0.288 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1F ZINC000680388425 487582738 /nfs/dbraw/zinc/58/27/38/487582738.db2.gz UCWGQSFKHAFBDA-JGVFFNPUSA-N 1 2 228.271 0.288 20 0 BCADLO CCN1C(=O)[C@@H]2C[N@H+](CC(F)F)CCN2C1=O ZINC000674470192 487583718 /nfs/dbraw/zinc/58/37/18/487583718.db2.gz QJRPFFFPDRTKOG-ZETCQYMHSA-N 1 2 247.245 0.220 20 0 BCADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(F)F)CCN2C1=O ZINC000674470192 487583721 /nfs/dbraw/zinc/58/37/21/487583721.db2.gz QJRPFFFPDRTKOG-ZETCQYMHSA-N 1 2 247.245 0.220 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000364229799 167263866 /nfs/dbraw/zinc/26/38/66/167263866.db2.gz XYLGMRHYJUWIQZ-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000364229799 167263871 /nfs/dbraw/zinc/26/38/71/167263871.db2.gz XYLGMRHYJUWIQZ-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO C[C@H]1OCC[C@@]1(C)NC(=O)Cc1c[nH+]cn1C ZINC000568125663 322914219 /nfs/dbraw/zinc/91/42/19/322914219.db2.gz ADVGUSMKVCOHDT-BXKDBHETSA-N 1 2 237.303 0.646 20 0 BCADLO CC[NH+]1CCN(C(=O)c2conc2C)CC1 ZINC000082304226 487591454 /nfs/dbraw/zinc/59/14/54/487591454.db2.gz SAMZZBYKXVMCHH-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCOC[C@H](C)C1 ZINC000374332812 167317751 /nfs/dbraw/zinc/31/77/51/167317751.db2.gz OXEVHQFEEDGJRR-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCOC[C@H](C)C1 ZINC000374332812 167317755 /nfs/dbraw/zinc/31/77/55/167317755.db2.gz OXEVHQFEEDGJRR-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO O=C1C[C@H]([N@H+]2CCc3cccc(F)c3C2)C(=O)N1 ZINC000653281009 487609004 /nfs/dbraw/zinc/60/90/04/487609004.db2.gz UJHCOLDRCRNGBK-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCc3cccc(F)c3C2)C(=O)N1 ZINC000653281009 487609012 /nfs/dbraw/zinc/60/90/12/487609012.db2.gz UJHCOLDRCRNGBK-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1 ZINC000653281044 487609714 /nfs/dbraw/zinc/60/97/14/487609714.db2.gz VSIOXIZIXAFKEW-NKWVEPMBSA-N 1 2 248.229 0.105 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1 ZINC000653281044 487609717 /nfs/dbraw/zinc/60/97/17/487609717.db2.gz VSIOXIZIXAFKEW-NKWVEPMBSA-N 1 2 248.229 0.105 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000660692319 409555712 /nfs/dbraw/zinc/55/57/12/409555712.db2.gz OAMNKHYDVMNHAC-IUCAKERBSA-N 1 2 200.257 0.651 20 0 BCADLO CCN1CC[C@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000660692319 409555718 /nfs/dbraw/zinc/55/57/18/409555718.db2.gz OAMNKHYDVMNHAC-IUCAKERBSA-N 1 2 200.257 0.651 20 0 BCADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660720551 409648888 /nfs/dbraw/zinc/64/88/88/409648888.db2.gz KHEBAIUZYJRQNK-MWLCHTKSSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660720551 409648893 /nfs/dbraw/zinc/64/88/93/409648893.db2.gz KHEBAIUZYJRQNK-MWLCHTKSSA-N 1 2 224.308 0.704 20 0 BCADLO Cc1noc(C[N@@H+](C)Cc2ccn(C)c(=O)c2)n1 ZINC000653890795 487610408 /nfs/dbraw/zinc/61/04/08/487610408.db2.gz NKXQPEZWNPLUCR-UHFFFAOYSA-N 1 2 248.286 0.709 20 0 BCADLO Cc1noc(C[N@H+](C)Cc2ccn(C)c(=O)c2)n1 ZINC000653890795 487610412 /nfs/dbraw/zinc/61/04/12/487610412.db2.gz NKXQPEZWNPLUCR-UHFFFAOYSA-N 1 2 248.286 0.709 20 0 BCADLO CC(C)N(CCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000674747416 487610451 /nfs/dbraw/zinc/61/04/51/487610451.db2.gz VAKLEIQSCIDVPL-UHFFFAOYSA-N 1 2 247.302 0.869 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000660763280 409724895 /nfs/dbraw/zinc/72/48/95/409724895.db2.gz SDCWYOHNELHLBG-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000660763280 409724901 /nfs/dbraw/zinc/72/49/01/409724901.db2.gz SDCWYOHNELHLBG-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2ccn(C)n2)C1=O ZINC000660780661 409737462 /nfs/dbraw/zinc/73/74/62/409737462.db2.gz OIRUHDBNGJIYGU-PSASIEDQSA-N 1 2 238.291 0.233 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1n[nH]c(=O)o1 ZINC000660841926 409833332 /nfs/dbraw/zinc/83/33/32/409833332.db2.gz JHJYBQIRZCAEKA-UHFFFAOYSA-N 1 2 223.236 0.104 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1n[nH]c(=O)o1 ZINC000660841926 409833339 /nfs/dbraw/zinc/83/33/39/409833339.db2.gz JHJYBQIRZCAEKA-UHFFFAOYSA-N 1 2 223.236 0.104 20 0 BCADLO COCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845740 409850553 /nfs/dbraw/zinc/85/05/53/409850553.db2.gz TUQIXLYMVFATTO-UHFFFAOYSA-N 1 2 201.226 0.244 20 0 BCADLO COCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845740 409850561 /nfs/dbraw/zinc/85/05/61/409850561.db2.gz TUQIXLYMVFATTO-UHFFFAOYSA-N 1 2 201.226 0.244 20 0 BCADLO C[C@H](O)[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660813415 409783464 /nfs/dbraw/zinc/78/34/64/409783464.db2.gz VEBYILKRCCUGRZ-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000660832249 409810193 /nfs/dbraw/zinc/81/01/93/409810193.db2.gz JVBDTTWJMOZJKM-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1CCc1cnn[nH]1 ZINC000660832249 409810197 /nfs/dbraw/zinc/81/01/97/409810197.db2.gz JVBDTTWJMOZJKM-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccon1 ZINC000055371517 409960856 /nfs/dbraw/zinc/96/08/56/409960856.db2.gz TZDAZRVBSRHLAE-QMMMGPOBSA-N 1 2 225.248 0.070 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccon1 ZINC000055371517 409960861 /nfs/dbraw/zinc/96/08/61/409960861.db2.gz TZDAZRVBSRHLAE-QMMMGPOBSA-N 1 2 225.248 0.070 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n[nH]1 ZINC000557541712 409973948 /nfs/dbraw/zinc/97/39/48/409973948.db2.gz XQKUCHIRQOZALE-SECBINFHSA-N 1 2 245.286 1.116 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000660926619 409974018 /nfs/dbraw/zinc/97/40/18/409974018.db2.gz QIDADGOEOYTCFB-SECBINFHSA-N 1 2 229.280 0.471 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000660926619 409974024 /nfs/dbraw/zinc/97/40/24/409974024.db2.gz QIDADGOEOYTCFB-SECBINFHSA-N 1 2 229.280 0.471 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)O ZINC000584225057 409993512 /nfs/dbraw/zinc/99/35/12/409993512.db2.gz XUZVKIZKHHOUIV-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752351 487612066 /nfs/dbraw/zinc/61/20/66/487612066.db2.gz JRGXTPKTTLSWPL-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752351 487612070 /nfs/dbraw/zinc/61/20/70/487612070.db2.gz JRGXTPKTTLSWPL-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO Cc1ccc2nc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cn2c1 ZINC000093092993 410100350 /nfs/dbraw/zinc/10/03/50/410100350.db2.gz ONOYLPXEAIRQNM-TXEJJXNPSA-N 1 2 247.298 0.180 20 0 BCADLO Cc1ccc2nc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cn2c1 ZINC000093092993 410100355 /nfs/dbraw/zinc/10/03/55/410100355.db2.gz ONOYLPXEAIRQNM-TXEJJXNPSA-N 1 2 247.298 0.180 20 0 BCADLO C[C@H](CC(=O)N1CCCCN1)n1cc[nH+]c1 ZINC000653172520 410144644 /nfs/dbraw/zinc/14/46/44/410144644.db2.gz QQQYOCAKFOTLOT-SNVBAGLBSA-N 1 2 222.292 0.961 20 0 BCADLO C[C@@H](NC(=O)C1(C)COC1)c1[nH]cc[nH+]1 ZINC000655403540 410207665 /nfs/dbraw/zinc/20/76/65/410207665.db2.gz XZBMZXOXPURZII-SSDOTTSWSA-N 1 2 209.249 0.623 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@@H](O)CC2)c1 ZINC000393151910 410302038 /nfs/dbraw/zinc/30/20/38/410302038.db2.gz NCNYPRILFQDMOH-LLVKDONJSA-N 1 2 222.288 0.925 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661172267 410318548 /nfs/dbraw/zinc/31/85/48/410318548.db2.gz RABBZFACSVDQQC-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661172267 410318553 /nfs/dbraw/zinc/31/85/53/410318553.db2.gz RABBZFACSVDQQC-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661172270 410319410 /nfs/dbraw/zinc/31/94/10/410319410.db2.gz RABBZFACSVDQQC-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661172270 410319413 /nfs/dbraw/zinc/31/94/13/410319413.db2.gz RABBZFACSVDQQC-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO CC[C@H](CO)N(C)c1[nH+]cnc2c1cnn2C ZINC000294254055 410522467 /nfs/dbraw/zinc/52/24/67/410522467.db2.gz WVDOCELPOZEMCX-MRVPVSSYSA-N 1 2 235.291 0.570 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)NCc1[nH+]ccn1C ZINC000650838629 410530959 /nfs/dbraw/zinc/53/09/59/410530959.db2.gz RYENFYVFHIDCSI-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443157 410662894 /nfs/dbraw/zinc/66/28/94/410662894.db2.gz LYZWJDMRDFZBQR-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443157 410662900 /nfs/dbraw/zinc/66/29/00/410662900.db2.gz LYZWJDMRDFZBQR-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CCO ZINC000661498936 410710731 /nfs/dbraw/zinc/71/07/31/410710731.db2.gz NMBPESCAQZRZGX-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CCO ZINC000661498936 410710735 /nfs/dbraw/zinc/71/07/35/410710735.db2.gz NMBPESCAQZRZGX-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CC(=O)NCc1cnn(C)c1)n1cc[nH+]c1 ZINC000651168088 410845202 /nfs/dbraw/zinc/84/52/02/410845202.db2.gz IBQXINGYMMHHCP-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO CCc1cc(N2C[C@@H](O)[C@H](OC)C2)nc(C)[nH+]1 ZINC000395967744 410869138 /nfs/dbraw/zinc/86/91/38/410869138.db2.gz NFGASJOKGWHQPY-GHMZBOCLSA-N 1 2 237.303 0.543 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593228 166992289 /nfs/dbraw/zinc/99/22/89/166992289.db2.gz PSGXMHCQQHZKHZ-ZYHUDNBSSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593228 166992291 /nfs/dbraw/zinc/99/22/91/166992291.db2.gz PSGXMHCQQHZKHZ-ZYHUDNBSSA-N 1 2 246.326 0.553 20 0 BCADLO C[C@H]1COCCN1c1cc(CO)cc[nH+]1 ZINC000040877987 410894290 /nfs/dbraw/zinc/89/42/90/410894290.db2.gz FHGFOCDHQTWVFK-VIFPVBQESA-N 1 2 208.261 0.799 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@@H](CO)C2)c1 ZINC000040863807 410895487 /nfs/dbraw/zinc/89/54/87/410895487.db2.gz KJVZMYWCGPKUJU-LLVKDONJSA-N 1 2 222.288 0.783 20 0 BCADLO CC(C)N1C[C@@H]([NH2+]Cc2cocn2)CC1=O ZINC000277087101 167029960 /nfs/dbraw/zinc/02/99/60/167029960.db2.gz UVPNXNHPLHUZQH-VIFPVBQESA-N 1 2 223.276 0.774 20 0 BCADLO CC(C)NC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000066971759 167043442 /nfs/dbraw/zinc/04/34/42/167043442.db2.gz FVEWNFGGWIEOSU-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cnccn1 ZINC000184426513 167050033 /nfs/dbraw/zinc/05/00/33/167050033.db2.gz DPXYOACHENBDKG-SNVBAGLBSA-N 1 2 236.319 0.994 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184426513 167050036 /nfs/dbraw/zinc/05/00/36/167050036.db2.gz DPXYOACHENBDKG-SNVBAGLBSA-N 1 2 236.319 0.994 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336312003 167054214 /nfs/dbraw/zinc/05/42/14/167054214.db2.gz SXZZANGDCRWVDL-AOOOYVTPSA-N 1 2 212.293 0.374 20 0 BCADLO CC(C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336312003 167054213 /nfs/dbraw/zinc/05/42/13/167054213.db2.gz SXZZANGDCRWVDL-AOOOYVTPSA-N 1 2 212.293 0.374 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1nccn1C ZINC000070007688 167061913 /nfs/dbraw/zinc/06/19/13/167061913.db2.gz QAMRLKIOPUJYHE-SECBINFHSA-N 1 2 224.308 0.595 20 0 BCADLO CC(C)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363538710 167072293 /nfs/dbraw/zinc/07/22/93/167072293.db2.gz ATKKHKSWTZZHCY-UHFFFAOYSA-N 1 2 222.292 0.896 20 0 BCADLO CC(C)OCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000063736777 167187965 /nfs/dbraw/zinc/18/79/65/167187965.db2.gz UEMBCIPIBHCLOY-JTQLQIEISA-N 1 2 225.292 0.813 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnccn1 ZINC000041816374 410939232 /nfs/dbraw/zinc/93/92/32/410939232.db2.gz COSBLUJASRPYOW-UHFFFAOYSA-N 1 2 217.232 0.103 20 0 BCADLO CC(C)[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104779221 167377172 /nfs/dbraw/zinc/37/71/72/167377172.db2.gz QHJHTIHRWSJHKR-MNOVXSKESA-N 1 2 243.351 0.661 20 0 BCADLO CC(C)[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104779221 167377175 /nfs/dbraw/zinc/37/71/75/167377175.db2.gz QHJHTIHRWSJHKR-MNOVXSKESA-N 1 2 243.351 0.661 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000223342498 167389187 /nfs/dbraw/zinc/38/91/87/167389187.db2.gz MGQHILVFOYSTOP-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288543990 167390326 /nfs/dbraw/zinc/39/03/26/167390326.db2.gz VXROKQDUIULLEB-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(=O)NCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000651364418 410952122 /nfs/dbraw/zinc/95/21/22/410952122.db2.gz AWKRNFHHGVEUEB-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO CC(=O)NCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000651364418 410952128 /nfs/dbraw/zinc/95/21/28/410952128.db2.gz AWKRNFHHGVEUEB-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO CCc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000651412136 410994420 /nfs/dbraw/zinc/99/44/20/410994420.db2.gz LCIIRIQKNCDENO-OTSSQURYSA-N 1 2 220.276 0.715 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000651413210 410995163 /nfs/dbraw/zinc/99/51/63/410995163.db2.gz TZANKKPAVDYVIJ-OCAPTIKFSA-N 1 2 206.249 0.461 20 0 BCADLO OC[C@@H](CCF)Nc1nc[nH+]c2c1OCCN2 ZINC000651462803 411046931 /nfs/dbraw/zinc/04/69/31/411046931.db2.gz BRGOBQUMINUBIB-SSDOTTSWSA-N 1 2 242.254 0.413 20 0 BCADLO OC[C@@H](CCF)Nc1[nH+]cnc2c1OCCN2 ZINC000651462803 411046932 /nfs/dbraw/zinc/04/69/32/411046932.db2.gz BRGOBQUMINUBIB-SSDOTTSWSA-N 1 2 242.254 0.413 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H](C)[C@H]1O ZINC000661620332 411071819 /nfs/dbraw/zinc/07/18/19/411071819.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H](C)[C@H]1O ZINC000661620332 411071824 /nfs/dbraw/zinc/07/18/24/411071824.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H](C)[C@H]1O ZINC000661620332 411071829 /nfs/dbraw/zinc/07/18/29/411071829.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@H](C)[C@H]1O ZINC000661620332 411071834 /nfs/dbraw/zinc/07/18/34/411071834.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)C[C@H](C)[C@H]1O ZINC000661620332 411071839 /nfs/dbraw/zinc/07/18/39/411071839.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]n2)C[C@H](C)[C@H]1O ZINC000661620332 411071845 /nfs/dbraw/zinc/07/18/45/411071845.db2.gz JAHFFLYSIVHDBF-MBTKJCJQSA-N 1 2 210.281 0.253 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399236219 411027298 /nfs/dbraw/zinc/02/72/98/411027298.db2.gz KXSHJASWMPRMCP-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399236219 411027301 /nfs/dbraw/zinc/02/73/01/411027301.db2.gz KXSHJASWMPRMCP-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000661604832 411030904 /nfs/dbraw/zinc/03/09/04/411030904.db2.gz MPYLEZKHHHCJPQ-SNVBAGLBSA-N 1 2 225.292 0.267 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661604832 411030911 /nfs/dbraw/zinc/03/09/11/411030911.db2.gz MPYLEZKHHHCJPQ-SNVBAGLBSA-N 1 2 225.292 0.267 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)CC[C@H]2C)[nH]1 ZINC000399353218 411035081 /nfs/dbraw/zinc/03/50/81/411035081.db2.gz ZHMDNXQIAINQHK-VXNVDRBHSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC[C@H]2C)[nH]1 ZINC000399353218 411035088 /nfs/dbraw/zinc/03/50/88/411035088.db2.gz ZHMDNXQIAINQHK-VXNVDRBHSA-N 1 2 210.281 0.458 20 0 BCADLO COc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000493200487 411139108 /nfs/dbraw/zinc/13/91/08/411139108.db2.gz DXAFIIGYCPGVTN-ONEGZZNKSA-N 1 2 247.258 0.804 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000659985323 411156183 /nfs/dbraw/zinc/15/61/83/411156183.db2.gz HHMSOEHPHVBBTE-GZMMTYOYSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000659985323 411156186 /nfs/dbraw/zinc/15/61/86/411156186.db2.gz HHMSOEHPHVBBTE-GZMMTYOYSA-N 1 2 224.308 0.885 20 0 BCADLO Cn1c[nH+]c(CN2CCN(C3CC3)C(=O)C2)c1 ZINC000659986124 411156515 /nfs/dbraw/zinc/15/65/15/411156515.db2.gz VQZDVLQZOUAPFG-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO CCCc1cc(C(=O)N2CC[NH+](C)CC2)[nH]n1 ZINC000047614646 411126991 /nfs/dbraw/zinc/12/69/91/411126991.db2.gz HNKNTBSZJADVQK-UHFFFAOYSA-N 1 2 236.319 0.750 20 0 BCADLO CCCc1cc(C(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000047614646 411126994 /nfs/dbraw/zinc/12/69/94/411126994.db2.gz HNKNTBSZJADVQK-UHFFFAOYSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000652772505 411168053 /nfs/dbraw/zinc/16/80/53/411168053.db2.gz OFKWFDZCAUBGHI-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO CC(=O)N1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660008244 411170071 /nfs/dbraw/zinc/17/00/71/411170071.db2.gz ZIHGWQLUEXUODR-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CNC(=O)CCCNc1nc[nH+]c(C)c1OC ZINC000656110410 411180844 /nfs/dbraw/zinc/18/08/44/411180844.db2.gz SWBVIVUJNUGCBA-UHFFFAOYSA-N 1 2 238.291 0.732 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(C)(C)C(N)=O ZINC000656110164 411180985 /nfs/dbraw/zinc/18/09/85/411180985.db2.gz ULQROEHBDWRLPE-UHFFFAOYSA-N 1 2 238.291 0.717 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC1CCOCC1 ZINC000656110361 411181101 /nfs/dbraw/zinc/18/11/01/411181101.db2.gz KSQGWYKHUGNJIX-UHFFFAOYSA-N 1 2 248.290 0.536 20 0 BCADLO COc1c(C)[nH+]cnc1NCC[C@@H](C)O ZINC000656126412 411183279 /nfs/dbraw/zinc/18/32/79/411183279.db2.gz HMINYGJGNBYYGF-SSDOTTSWSA-N 1 2 211.265 0.976 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@](C)(O)C1 ZINC000656137679 411185359 /nfs/dbraw/zinc/18/53/59/411185359.db2.gz IVQXGSADFBSREY-NSHDSACASA-N 1 2 223.276 0.755 20 0 BCADLO COC[C@H](CNc1nc[nH+]c(C)c1OC)OC ZINC000656156164 411186357 /nfs/dbraw/zinc/18/63/57/411186357.db2.gz YEABJBOMRQXTFX-VIFPVBQESA-N 1 2 241.291 0.867 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H]2C[C@H]21 ZINC000656187927 411196643 /nfs/dbraw/zinc/19/66/43/411196643.db2.gz NMPDEDMURSWWCX-IONNQARKSA-N 1 2 244.302 0.934 20 0 BCADLO Cc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)nc1 ZINC000653842389 411197908 /nfs/dbraw/zinc/19/79/08/411197908.db2.gz KCYIDHLARUGDQR-GFCCVEGCSA-N 1 2 235.287 0.124 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@H]([C@@H](C)O)C1 ZINC000656201849 411207406 /nfs/dbraw/zinc/20/74/06/411207406.db2.gz QNWDGEWZSFTQQI-KOLCDFICSA-N 1 2 237.303 0.679 20 0 BCADLO CO[C@@](C)(CO)CNc1cc(C)[nH+]cn1 ZINC000656205806 411207571 /nfs/dbraw/zinc/20/75/71/411207571.db2.gz LUJPEYNHLRXIEA-SNVBAGLBSA-N 1 2 211.265 0.594 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H](O)COC(C)C)n1 ZINC000653890482 411209658 /nfs/dbraw/zinc/20/96/58/411209658.db2.gz BNUHKAYZWNEOKA-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H](O)COC(C)C)n1 ZINC000653890482 411209661 /nfs/dbraw/zinc/20/96/61/411209661.db2.gz BNUHKAYZWNEOKA-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO Cn1nncc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656266498 411221972 /nfs/dbraw/zinc/22/19/72/411221972.db2.gz ZTFCKYCCZKMVTL-UHFFFAOYSA-N 1 2 214.219 0.656 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C2CSC2)n1 ZINC000656268486 411222700 /nfs/dbraw/zinc/22/27/00/411222700.db2.gz DNPDUHRENWUICM-UHFFFAOYSA-N 1 2 227.337 0.633 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000226202980 411226288 /nfs/dbraw/zinc/22/62/88/411226288.db2.gz SRSQFBUBPABCBT-LBPRGKRZSA-N 1 2 236.319 0.571 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000226202980 411226291 /nfs/dbraw/zinc/22/62/91/411226291.db2.gz SRSQFBUBPABCBT-LBPRGKRZSA-N 1 2 236.319 0.571 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653712527 411228132 /nfs/dbraw/zinc/22/81/32/411228132.db2.gz KRKJTBGLSIBUFD-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653712527 411228135 /nfs/dbraw/zinc/22/81/35/411228135.db2.gz KRKJTBGLSIBUFD-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611853064 411228589 /nfs/dbraw/zinc/22/85/89/411228589.db2.gz NCNDFQWPBWESGG-RKDXNWHRSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611853064 411228591 /nfs/dbraw/zinc/22/85/91/411228591.db2.gz NCNDFQWPBWESGG-RKDXNWHRSA-N 1 2 237.303 0.354 20 0 BCADLO CCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660100437 411230579 /nfs/dbraw/zinc/23/05/79/411230579.db2.gz LTOGDHSWZYEJRB-MRVPVSSYSA-N 1 2 231.321 0.811 20 0 BCADLO C[C@@H](NS(=O)(=O)C1CC1)c1[nH+]ccn1C ZINC000660105071 411231510 /nfs/dbraw/zinc/23/15/10/411231510.db2.gz VRIBBFAFRNIJGO-SSDOTTSWSA-N 1 2 229.305 0.563 20 0 BCADLO Cc1ccn(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000652413382 411233258 /nfs/dbraw/zinc/23/32/58/411233258.db2.gz VQFXWQRGWKJMCL-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO Cn1ncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1N ZINC000652412289 411234100 /nfs/dbraw/zinc/23/41/00/411234100.db2.gz FOAPBLNPZGNOJV-UHFFFAOYSA-N 1 2 248.290 0.391 20 0 BCADLO C[C@@H](O)[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660118418 411238008 /nfs/dbraw/zinc/23/80/08/411238008.db2.gz UVHQRZKSJMEASJ-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H](O)[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660118418 411238011 /nfs/dbraw/zinc/23/80/11/411238011.db2.gz UVHQRZKSJMEASJ-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660118428 411238080 /nfs/dbraw/zinc/23/80/80/411238080.db2.gz UVHQRZKSJMEASJ-ZJUUUORDSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660118428 411238083 /nfs/dbraw/zinc/23/80/83/411238083.db2.gz UVHQRZKSJMEASJ-ZJUUUORDSA-N 1 2 224.308 0.440 20 0 BCADLO Cc1nc(N(C)C)nc(NC2CCC2)[nH+]1 ZINC000336765816 411165594 /nfs/dbraw/zinc/16/55/94/411165594.db2.gz REZSNAURAFQVOI-UHFFFAOYSA-N 1 2 207.281 1.210 20 0 BCADLO Cc1nc(NC2CCC2)nc(N(C)C)[nH+]1 ZINC000336765816 411165595 /nfs/dbraw/zinc/16/55/95/411165595.db2.gz REZSNAURAFQVOI-UHFFFAOYSA-N 1 2 207.281 1.210 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nccc(N)n1 ZINC000653776076 411165996 /nfs/dbraw/zinc/16/59/96/411165996.db2.gz QQAOKDJYDZJPFR-DJLDLDEBSA-N 1 2 238.291 0.123 20 0 BCADLO CC(C)(C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656454371 411262070 /nfs/dbraw/zinc/26/20/70/411262070.db2.gz ANNVCRQKLLEELO-VIFPVBQESA-N 1 2 210.281 0.694 20 0 BCADLO CC(C)(C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656454370 411262104 /nfs/dbraw/zinc/26/21/04/411262104.db2.gz ANNVCRQKLLEELO-SECBINFHSA-N 1 2 210.281 0.694 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@@H](C)OC)n1 ZINC000658159519 411272157 /nfs/dbraw/zinc/27/21/57/411272157.db2.gz RGRQKXDVRDTXSD-HTQZYQBOSA-N 1 2 228.296 0.464 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)[C@@H](C)OC)[nH]1 ZINC000658159519 411272158 /nfs/dbraw/zinc/27/21/58/411272158.db2.gz RGRQKXDVRDTXSD-HTQZYQBOSA-N 1 2 228.296 0.464 20 0 BCADLO c1cn(Cc2cn(C[C@@H]3CCOC3)nn2)c[nH+]1 ZINC000656450200 411272495 /nfs/dbraw/zinc/27/24/95/411272495.db2.gz ZRPXWVRMHOGYBP-JTQLQIEISA-N 1 2 233.275 0.559 20 0 BCADLO Cc1nc(NC[C@@H](C)Cn2cccn2)nc(N)[nH+]1 ZINC000631062246 411272715 /nfs/dbraw/zinc/27/27/15/411272715.db2.gz JGMVWQIGBKNASZ-MRVPVSSYSA-N 1 2 247.306 0.129 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)Cn2cccn2)[nH+]1 ZINC000631062246 411272721 /nfs/dbraw/zinc/27/27/21/411272721.db2.gz JGMVWQIGBKNASZ-MRVPVSSYSA-N 1 2 247.306 0.129 20 0 BCADLO Cc1nc(NCCO[C@@H]2CC2(F)F)nc(N)[nH+]1 ZINC000631357564 411276438 /nfs/dbraw/zinc/27/64/38/411276438.db2.gz VVFDOHLUWMHJRO-ZCFIWIBFSA-N 1 2 245.233 0.020 20 0 BCADLO Cc1nc(N)nc(NCCO[C@@H]2CC2(F)F)[nH+]1 ZINC000631357564 411276442 /nfs/dbraw/zinc/27/64/42/411276442.db2.gz VVFDOHLUWMHJRO-ZCFIWIBFSA-N 1 2 245.233 0.020 20 0 BCADLO Cc1nc(N[C@@H](CO)CC(C)(C)C)nc(N)[nH+]1 ZINC000393472770 411282980 /nfs/dbraw/zinc/28/29/80/411282980.db2.gz GFTGIHQVDIPRBN-MRVPVSSYSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)CC(C)(C)C)[nH+]1 ZINC000393472770 411282982 /nfs/dbraw/zinc/28/29/82/411282982.db2.gz GFTGIHQVDIPRBN-MRVPVSSYSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N2CCO[C@@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000380307309 411283538 /nfs/dbraw/zinc/28/35/38/411283538.db2.gz QATOWBUPDTZKPQ-BQBZGAKWSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C)[C@@H]2C)[nH+]1 ZINC000380307309 411283543 /nfs/dbraw/zinc/28/35/43/411283543.db2.gz QATOWBUPDTZKPQ-BQBZGAKWSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N2CCC[C@](C)(O)C2)nc(N)[nH+]1 ZINC000631187513 411283649 /nfs/dbraw/zinc/28/36/49/411283649.db2.gz JBMGIEXYAUUSGV-JTQLQIEISA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@](C)(O)C2)[nH+]1 ZINC000631187513 411283653 /nfs/dbraw/zinc/28/36/53/411283653.db2.gz JBMGIEXYAUUSGV-JTQLQIEISA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N2CC[C@@H]3OCC[C@@H]3C2)nc(N)[nH+]1 ZINC000631323794 411283997 /nfs/dbraw/zinc/28/39/97/411283997.db2.gz HPPNWAJQDJNTQX-BDAKNGLRSA-N 1 2 235.291 0.377 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]3OCC[C@@H]3C2)[nH+]1 ZINC000631323794 411284001 /nfs/dbraw/zinc/28/40/01/411284001.db2.gz HPPNWAJQDJNTQX-BDAKNGLRSA-N 1 2 235.291 0.377 20 0 BCADLO Cc1c[nH+]ccc1CCN=c1nc[nH]n1C ZINC000653465966 411284443 /nfs/dbraw/zinc/28/44/43/411284443.db2.gz TXDRURWDCNBOFB-UHFFFAOYSA-N 1 2 217.276 0.595 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@@](C)(CO)C2)nc(N)[nH+]1 ZINC000631371701 411285268 /nfs/dbraw/zinc/28/52/68/411285268.db2.gz CZQNWTIEORJGNA-WRWORJQWSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)[C@@](C)(CO)C2)[nH+]1 ZINC000631371701 411285270 /nfs/dbraw/zinc/28/52/70/411285270.db2.gz CZQNWTIEORJGNA-WRWORJQWSA-N 1 2 237.307 0.217 20 0 BCADLO NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540516 411293602 /nfs/dbraw/zinc/29/36/02/411293602.db2.gz KNTYNNOFMIFGTC-UHFFFAOYSA-N 1 2 220.276 0.850 20 0 BCADLO Nc1ccc(CNC(=O)C(=O)c2ccc[nH]2)c[nH+]1 ZINC000436481297 411294478 /nfs/dbraw/zinc/29/44/78/411294478.db2.gz WYJDPRLQVFPDPY-UHFFFAOYSA-N 1 2 244.254 0.491 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cn1 ZINC000653755814 411330761 /nfs/dbraw/zinc/33/07/61/411330761.db2.gz GMMHKZIPBBKAND-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cn1 ZINC000653755814 411330762 /nfs/dbraw/zinc/33/07/62/411330762.db2.gz GMMHKZIPBBKAND-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO O=C1NCCN1C1C[NH+](Cc2ccc(O)cc2)C1 ZINC000656615656 411307325 /nfs/dbraw/zinc/30/73/25/411307325.db2.gz UGBDJXAZTMNJEZ-UHFFFAOYSA-N 1 2 247.298 0.602 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661770346 411309195 /nfs/dbraw/zinc/30/91/95/411309195.db2.gz BSDLIJFYWSPFIK-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661770346 411309198 /nfs/dbraw/zinc/30/91/98/411309198.db2.gz BSDLIJFYWSPFIK-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)nc(C)n1 ZINC000659831352 411313989 /nfs/dbraw/zinc/31/39/89/411313989.db2.gz OWJSHUZWUKYCNF-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)nc(C)n1 ZINC000659831352 411313991 /nfs/dbraw/zinc/31/39/91/411313991.db2.gz OWJSHUZWUKYCNF-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO COCCCOC1C[NH+](Cc2cn[nH]c2)C1 ZINC000656665094 411319715 /nfs/dbraw/zinc/31/97/15/411319715.db2.gz SCGJYEQNDDNJFO-UHFFFAOYSA-N 1 2 225.292 0.647 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1=O ZINC000656676593 411321082 /nfs/dbraw/zinc/32/10/82/411321082.db2.gz OVLLIDNXUDSJNW-JGVFFNPUSA-N 1 2 240.332 0.810 20 0 BCADLO Cc1nc(N(C)C)nc(NC(CF)CF)[nH+]1 ZINC000450595430 411321185 /nfs/dbraw/zinc/32/11/85/411321185.db2.gz VISSWQSBATTWEZ-UHFFFAOYSA-N 1 2 231.250 0.966 20 0 BCADLO Cc1nc(NC(CF)CF)nc(N(C)C)[nH+]1 ZINC000450595430 411321189 /nfs/dbraw/zinc/32/11/89/411321189.db2.gz VISSWQSBATTWEZ-UHFFFAOYSA-N 1 2 231.250 0.966 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2)C1 ZINC000652477282 411251760 /nfs/dbraw/zinc/25/17/60/411251760.db2.gz NUKSMCZUSPEBNL-UWVGGRQHSA-N 1 2 239.275 0.057 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2)C1 ZINC000652477282 411251761 /nfs/dbraw/zinc/25/17/61/411251761.db2.gz NUKSMCZUSPEBNL-UWVGGRQHSA-N 1 2 239.275 0.057 20 0 BCADLO c1csc(-n2cc([C@H]3COCC[NH2+]3)nn2)n1 ZINC000656439831 411257456 /nfs/dbraw/zinc/25/74/56/411257456.db2.gz CYJNFJRWTPCKQR-MRVPVSSYSA-N 1 2 237.288 0.385 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1nnc2n1CCCC2 ZINC000660142507 411257623 /nfs/dbraw/zinc/25/76/23/411257623.db2.gz GFTBCGWDYFJPIC-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000652957252 411358239 /nfs/dbraw/zinc/35/82/39/411358239.db2.gz KDEMEMOHCJWREW-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2nccnc2C1)C(F)(F)F ZINC000662120361 411362522 /nfs/dbraw/zinc/36/25/22/411362522.db2.gz DKXMBEYPVPPLRW-VIFPVBQESA-N 1 2 247.220 0.758 20 0 BCADLO O[C@@H](C[N@H+]1CCc2nccnc2C1)C(F)(F)F ZINC000662120361 411362525 /nfs/dbraw/zinc/36/25/25/411362525.db2.gz DKXMBEYPVPPLRW-VIFPVBQESA-N 1 2 247.220 0.758 20 0 BCADLO CN(C)C(=O)CCCNc1cc(CO)cc[nH+]1 ZINC000641305674 411362733 /nfs/dbraw/zinc/36/27/33/411362733.db2.gz JUAHDXNEEHUHPK-UHFFFAOYSA-N 1 2 237.303 0.854 20 0 BCADLO Cn1c[nH+]c(CSc2nc(N)n[nH]2)c1 ZINC000641406455 411365384 /nfs/dbraw/zinc/36/53/84/411365384.db2.gz KYGKDFMVEBSASO-UHFFFAOYSA-N 1 2 210.266 0.413 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@H]2CCCO2)C1=O ZINC000660280706 411368251 /nfs/dbraw/zinc/36/82/51/411368251.db2.gz UGIKZSSWVZKFQM-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@H]2CCCO2)C1=O ZINC000660280706 411368254 /nfs/dbraw/zinc/36/82/54/411368254.db2.gz UGIKZSSWVZKFQM-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1CCc1c[nH]nn1 ZINC000660644049 411368761 /nfs/dbraw/zinc/36/87/61/411368761.db2.gz GSPMMAXZRYJXJC-LLVKDONJSA-N 1 2 223.324 0.373 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1CCc1c[nH]nn1 ZINC000660644049 411368763 /nfs/dbraw/zinc/36/87/63/411368763.db2.gz GSPMMAXZRYJXJC-LLVKDONJSA-N 1 2 223.324 0.373 20 0 BCADLO COC[C@@H](C[N@@H+]1CCn2cncc2C1)OC ZINC000660583665 411337620 /nfs/dbraw/zinc/33/76/20/411337620.db2.gz LNWMSWQWRWRNTM-LLVKDONJSA-N 1 2 225.292 0.360 20 0 BCADLO COC[C@@H](C[N@H+]1CCn2cncc2C1)OC ZINC000660583665 411337622 /nfs/dbraw/zinc/33/76/22/411337622.db2.gz LNWMSWQWRWRNTM-LLVKDONJSA-N 1 2 225.292 0.360 20 0 BCADLO COC[C@@H](CN1CCn2c[nH+]cc2C1)OC ZINC000660583665 411337624 /nfs/dbraw/zinc/33/76/24/411337624.db2.gz LNWMSWQWRWRNTM-LLVKDONJSA-N 1 2 225.292 0.360 20 0 BCADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCC2 ZINC000054433575 411338328 /nfs/dbraw/zinc/33/83/28/411338328.db2.gz ZPKUIOAMTWCOKN-VIFPVBQESA-N 1 2 209.293 0.936 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOCC12CC2 ZINC000660489034 411341297 /nfs/dbraw/zinc/34/12/97/411341297.db2.gz LFSSMRXCMPDZRT-UHFFFAOYSA-N 1 2 208.265 0.212 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOCC12CC2 ZINC000660489034 411341298 /nfs/dbraw/zinc/34/12/98/411341298.db2.gz LFSSMRXCMPDZRT-UHFFFAOYSA-N 1 2 208.265 0.212 20 0 BCADLO c1n[nH]nc1CC[N@@H+]1CCOCC12CC2 ZINC000660489034 411341301 /nfs/dbraw/zinc/34/13/01/411341301.db2.gz LFSSMRXCMPDZRT-UHFFFAOYSA-N 1 2 208.265 0.212 20 0 BCADLO c1n[nH]nc1CC[N@H+]1CCOCC12CC2 ZINC000660489034 411341302 /nfs/dbraw/zinc/34/13/02/411341302.db2.gz LFSSMRXCMPDZRT-UHFFFAOYSA-N 1 2 208.265 0.212 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281670759 168007609 /nfs/dbraw/zinc/00/76/09/168007609.db2.gz TVCWUMQDJUBQTO-NXEZZACHSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281670759 168007610 /nfs/dbraw/zinc/00/76/10/168007610.db2.gz TVCWUMQDJUBQTO-NXEZZACHSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)OCCO1 ZINC000278428573 168028356 /nfs/dbraw/zinc/02/83/56/168028356.db2.gz RMHLTDZGYPOICZ-NSCUHMNNSA-N 1 2 237.259 0.302 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1nncn1C ZINC000576411847 411349221 /nfs/dbraw/zinc/34/92/21/411349221.db2.gz JCFUECMPDQMALU-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO CC1=C(C)C[N@H+](Cc2nc(N)nc(N)n2)CC1 ZINC000280707179 168084626 /nfs/dbraw/zinc/08/46/26/168084626.db2.gz JAPYPABVDZWOEN-UHFFFAOYSA-N 1 2 234.307 0.578 20 0 BCADLO CC1=C(C)C[N@@H+](Cc2nc(N)nc(N)n2)CC1 ZINC000280707179 168084629 /nfs/dbraw/zinc/08/46/29/168084629.db2.gz JAPYPABVDZWOEN-UHFFFAOYSA-N 1 2 234.307 0.578 20 0 BCADLO O=C1C[C@H](C[N@@H+](CC(F)F)C2CC2)CN1 ZINC000659906841 411379374 /nfs/dbraw/zinc/37/93/74/411379374.db2.gz RGAYTPGIAJSEQT-ZETCQYMHSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1C[C@H](C[N@H+](CC(F)F)C2CC2)CN1 ZINC000659906841 411379377 /nfs/dbraw/zinc/37/93/77/411379377.db2.gz RGAYTPGIAJSEQT-ZETCQYMHSA-N 1 2 218.247 0.852 20 0 BCADLO CC1CC(=O)N(Cc2c[nH+]cn2C)C(=O)C1 ZINC000270434726 168139093 /nfs/dbraw/zinc/13/90/93/168139093.db2.gz FTSLWTWGYCPMLK-UHFFFAOYSA-N 1 2 221.260 0.705 20 0 BCADLO CC(C)(C(=O)N1CCC[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000652993329 411389146 /nfs/dbraw/zinc/38/91/46/411389146.db2.gz JZYMPEDVGRZJMK-SECBINFHSA-N 1 2 237.303 0.671 20 0 BCADLO CCC(=O)N1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000333425837 168221641 /nfs/dbraw/zinc/22/16/41/168221641.db2.gz KBOVQJQJLQLVKZ-UHFFFAOYSA-N 1 2 208.265 0.421 20 0 BCADLO CCC(=O)N1CCN(Cc2c[nH]c[nH+]2)C1 ZINC000333425837 168221646 /nfs/dbraw/zinc/22/16/46/168221646.db2.gz KBOVQJQJLQLVKZ-UHFFFAOYSA-N 1 2 208.265 0.421 20 0 BCADLO CCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357803663 168224201 /nfs/dbraw/zinc/22/42/01/168224201.db2.gz OXIMUXMCXIYRKF-NSHDSACASA-N 1 2 248.330 0.919 20 0 BCADLO CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357803663 168224204 /nfs/dbraw/zinc/22/42/04/168224204.db2.gz OXIMUXMCXIYRKF-NSHDSACASA-N 1 2 248.330 0.919 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NCc2ccco2)n1 ZINC000657304024 411456717 /nfs/dbraw/zinc/45/67/17/411456717.db2.gz DIWBBHBXXNUDBV-UHFFFAOYSA-N 1 2 248.286 0.717 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](O)C1 ZINC000654472071 411402150 /nfs/dbraw/zinc/40/21/50/411402150.db2.gz QKXUTVSSYOZQPN-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](O)C1 ZINC000654472071 411402156 /nfs/dbraw/zinc/40/21/56/411402156.db2.gz QKXUTVSSYOZQPN-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](O)C1 ZINC000654472072 411402258 /nfs/dbraw/zinc/40/22/58/411402258.db2.gz QKXUTVSSYOZQPN-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](O)C1 ZINC000654472072 411402260 /nfs/dbraw/zinc/40/22/60/411402260.db2.gz QKXUTVSSYOZQPN-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](O)C1(C)C ZINC000131083895 411405545 /nfs/dbraw/zinc/40/55/45/411405545.db2.gz LJCXOSYKZQTSBE-BQBZGAKWSA-N 1 2 238.291 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](O)C1(C)C ZINC000131083895 411405546 /nfs/dbraw/zinc/40/55/46/411405546.db2.gz LJCXOSYKZQTSBE-BQBZGAKWSA-N 1 2 238.291 0.639 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(F)F ZINC000581676905 411414258 /nfs/dbraw/zinc/41/42/58/411414258.db2.gz KSTINASCCSWLSS-UHFFFAOYSA-N 1 2 242.233 1.013 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000268211026 411422981 /nfs/dbraw/zinc/42/29/81/411422981.db2.gz VMYZEMUEOGNQFF-DTWKUNHWSA-N 1 2 223.276 0.984 20 0 BCADLO O[C@@H]1C[C@H]2C[N@H+](CCCCF)CCN2C1 ZINC000405382959 411427044 /nfs/dbraw/zinc/42/70/44/411427044.db2.gz DKIBPWIJJSBBQT-WDEREUQCSA-N 1 2 216.300 0.487 20 0 BCADLO O[C@@H]1C[C@H]2C[N@@H+](CCCCF)CCN2C1 ZINC000405382959 411427046 /nfs/dbraw/zinc/42/70/46/411427046.db2.gz DKIBPWIJJSBBQT-WDEREUQCSA-N 1 2 216.300 0.487 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654915289 411463344 /nfs/dbraw/zinc/46/33/44/411463344.db2.gz DIHANIVTXGHALO-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654915289 411463345 /nfs/dbraw/zinc/46/33/45/411463345.db2.gz DIHANIVTXGHALO-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1nn(CCc2c[nH+]cn2C)c(=O)o1 ZINC000657279856 411440430 /nfs/dbraw/zinc/44/04/30/411440430.db2.gz VNYLYPSZQVIZFJ-UHFFFAOYSA-N 1 2 208.221 0.121 20 0 BCADLO COc1ccc(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000654767625 411442018 /nfs/dbraw/zinc/44/20/18/411442018.db2.gz GYLRNTIMTZQNJW-UHFFFAOYSA-N 1 2 235.243 0.984 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@H](O)C(C)(C)C2)C1=O ZINC000660374199 411443909 /nfs/dbraw/zinc/44/39/09/411443909.db2.gz UWJBSYWPDAGXBA-UWVGGRQHSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@H](O)C(C)(C)C2)C1=O ZINC000660374199 411443910 /nfs/dbraw/zinc/44/39/10/411443910.db2.gz UWJBSYWPDAGXBA-UWVGGRQHSA-N 1 2 242.319 0.242 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)nc(C)n1 ZINC000659821667 411463765 /nfs/dbraw/zinc/46/37/65/411463765.db2.gz IJCCVDLMEYYECV-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)nc(C)n1 ZINC000659821667 411463766 /nfs/dbraw/zinc/46/37/66/411463766.db2.gz IJCCVDLMEYYECV-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO CCn1cc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000660388772 411449656 /nfs/dbraw/zinc/44/96/56/411449656.db2.gz XLMIGCUAXHJBBT-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1cc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000660388772 411449659 /nfs/dbraw/zinc/44/96/59/411449659.db2.gz XLMIGCUAXHJBBT-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657294953 411454800 /nfs/dbraw/zinc/45/48/00/411454800.db2.gz XVZHNCNYBPTHGJ-UHFFFAOYSA-N 1 2 236.319 0.444 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)n1 ZINC000657489828 411532628 /nfs/dbraw/zinc/53/26/28/411532628.db2.gz YGXKUCSZRSUVGN-MNOVXSKESA-N 1 2 248.330 0.961 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000654977552 411469706 /nfs/dbraw/zinc/46/97/06/411469706.db2.gz BUQFMKSJBRAWKK-FXPVBKGRSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000654977552 411469711 /nfs/dbraw/zinc/46/97/11/411469711.db2.gz BUQFMKSJBRAWKK-FXPVBKGRSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000654977555 411469727 /nfs/dbraw/zinc/46/97/27/411469727.db2.gz BUQFMKSJBRAWKK-YWVKMMECSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000654977555 411469730 /nfs/dbraw/zinc/46/97/30/411469730.db2.gz BUQFMKSJBRAWKK-YWVKMMECSA-N 1 2 237.303 0.428 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659837853 411471005 /nfs/dbraw/zinc/47/10/05/411471005.db2.gz KJITYTQOKWDCLO-UHFFFAOYSA-N 1 2 223.276 0.730 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659837853 411471006 /nfs/dbraw/zinc/47/10/06/411471006.db2.gz KJITYTQOKWDCLO-UHFFFAOYSA-N 1 2 223.276 0.730 20 0 BCADLO Cc1[nH]c(CNc2cnn(CCO)c2)[nH+]c1C ZINC000657344360 411471036 /nfs/dbraw/zinc/47/10/36/411471036.db2.gz NDVOICJLNCYJFO-UHFFFAOYSA-N 1 2 235.291 0.827 20 0 BCADLO CC(C)n1ccnc1C[NH2+][C@H]1CCCNC1=O ZINC000657337811 411471688 /nfs/dbraw/zinc/47/16/88/411471688.db2.gz KAJWEBYRGFLTLA-JTQLQIEISA-N 1 2 236.319 0.832 20 0 BCADLO CCN1OC[C@@H]([N@H+](CC)CCOC)C1=O ZINC000659851933 411477397 /nfs/dbraw/zinc/47/73/97/411477397.db2.gz GKVYJBYQVNLGEO-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO CCN1OC[C@@H]([N@@H+](CC)CCOC)C1=O ZINC000659851933 411477399 /nfs/dbraw/zinc/47/73/99/411477399.db2.gz GKVYJBYQVNLGEO-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO COC[C@H](C[NH2+]C(C)(C)c1noc(C)n1)OC ZINC000660067901 411533255 /nfs/dbraw/zinc/53/32/55/411533255.db2.gz NRKGUOGXXWMOFP-VIFPVBQESA-N 1 2 243.307 0.864 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655034299 411481965 /nfs/dbraw/zinc/48/19/65/411481965.db2.gz ULZFZJKPPALQDA-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1nc2n(c1C)CC[N@H+](CCc1c[nH]nn1)C2 ZINC000659867170 411483292 /nfs/dbraw/zinc/48/32/92/411483292.db2.gz TVBHCJFNJFFSIS-UHFFFAOYSA-N 1 2 246.318 0.676 20 0 BCADLO Cc1nc2n(c1C)CC[N@@H+](CCc1c[nH]nn1)C2 ZINC000659867170 411483294 /nfs/dbraw/zinc/48/32/94/411483294.db2.gz TVBHCJFNJFFSIS-UHFFFAOYSA-N 1 2 246.318 0.676 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cnco2)C1 ZINC000655051771 411486983 /nfs/dbraw/zinc/48/69/83/411486983.db2.gz BQPLTJLPYOBKGU-UHFFFAOYSA-N 1 2 209.249 0.497 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000659900473 411492240 /nfs/dbraw/zinc/49/22/40/411492240.db2.gz RCRHIAGUPIHRSG-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000659900473 411492242 /nfs/dbraw/zinc/49/22/42/411492242.db2.gz RCRHIAGUPIHRSG-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO CN(Cc1cc[nH]n1)Cc1cn(C)c[nH+]1 ZINC000659921564 411497961 /nfs/dbraw/zinc/49/79/61/411497961.db2.gz UBCAOKLLZASKQK-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655119984 411498489 /nfs/dbraw/zinc/49/84/89/411498489.db2.gz FJAKQCZEWCCLBN-GXSJLCMTSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655119984 411498493 /nfs/dbraw/zinc/49/84/93/411498493.db2.gz FJAKQCZEWCCLBN-GXSJLCMTSA-N 1 2 239.319 0.818 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](OC)C1CC1 ZINC000655126329 411500033 /nfs/dbraw/zinc/50/00/33/411500033.db2.gz CBMAMPHGZPCGRB-LLVKDONJSA-N 1 2 237.303 0.944 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cocn1 ZINC000655128119 411500683 /nfs/dbraw/zinc/50/06/83/411500683.db2.gz YSHIDCDTEZQCAB-UHFFFAOYSA-N 1 2 220.232 0.821 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnc[nH]1 ZINC000655128115 411500992 /nfs/dbraw/zinc/50/09/92/411500992.db2.gz WLRHTTBDQRBSJW-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2cc3n(n2)CCC3)[nH]1 ZINC000657423524 411504163 /nfs/dbraw/zinc/50/41/63/411504163.db2.gz HTQJWAXKYCVXEA-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO CCO[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659943406 411505523 /nfs/dbraw/zinc/50/55/23/411505523.db2.gz UFSTVQIDPRTVEB-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659943406 411505524 /nfs/dbraw/zinc/50/55/24/411505524.db2.gz UFSTVQIDPRTVEB-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1ccon1 ZINC000659945965 411506786 /nfs/dbraw/zinc/50/67/86/411506786.db2.gz CTWKEJIWZVWIAT-UHFFFAOYSA-N 1 2 207.237 0.467 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1ccon1 ZINC000659945965 411506789 /nfs/dbraw/zinc/50/67/89/411506789.db2.gz CTWKEJIWZVWIAT-UHFFFAOYSA-N 1 2 207.237 0.467 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)Cc1ccon1 ZINC000659945965 411506793 /nfs/dbraw/zinc/50/67/93/411506793.db2.gz CTWKEJIWZVWIAT-UHFFFAOYSA-N 1 2 207.237 0.467 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)Cc1ccon1 ZINC000659945965 411506795 /nfs/dbraw/zinc/50/67/95/411506795.db2.gz CTWKEJIWZVWIAT-UHFFFAOYSA-N 1 2 207.237 0.467 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000655162319 411509655 /nfs/dbraw/zinc/50/96/55/411509655.db2.gz GZCOAWSOXVCZTN-MXWKQRLJSA-N 1 2 238.331 0.764 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNCc1ncnn1C ZINC000638868889 411511010 /nfs/dbraw/zinc/51/10/10/411511010.db2.gz AHULHLIETMVKPD-UHFFFAOYSA-N 1 2 248.334 0.957 20 0 BCADLO O[C@H](C[NH2+]Cc1cc2n(n1)CCC2)C(F)(F)F ZINC000657447953 411513754 /nfs/dbraw/zinc/51/37/54/411513754.db2.gz MOFRBOCAQFZYIX-SECBINFHSA-N 1 2 249.236 0.842 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H](C)C(=O)N(C)C)n1 ZINC000657448182 411513759 /nfs/dbraw/zinc/51/37/59/411513759.db2.gz UDOTZFBRSHSSFC-QMMMGPOBSA-N 1 2 210.281 0.284 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660442978 411514733 /nfs/dbraw/zinc/51/47/33/411514733.db2.gz ZTJVXYIBFOFFJS-ZYHUDNBSSA-N 1 2 238.335 0.973 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660442978 411514736 /nfs/dbraw/zinc/51/47/36/411514736.db2.gz ZTJVXYIBFOFFJS-ZYHUDNBSSA-N 1 2 238.335 0.973 20 0 BCADLO CO[C@@](C)(CO)C[NH2+]Cc1cn[nH]c1C ZINC000655809341 411522801 /nfs/dbraw/zinc/52/28/01/411522801.db2.gz XUIZCPYZBBXSDK-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCOC2)n1 ZINC000655814315 411523482 /nfs/dbraw/zinc/52/34/82/411523482.db2.gz LIDHOHUQAHBVIC-MRVPVSSYSA-N 1 2 225.296 0.307 20 0 BCADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814628 411523643 /nfs/dbraw/zinc/52/36/43/411523643.db2.gz NTLDICCXNDZXKC-RKDXNWHRSA-N 1 2 241.339 0.941 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CCOC(C)(C)C)C1=O ZINC000660016177 411528571 /nfs/dbraw/zinc/52/85/71/411528571.db2.gz FLAOFIHJOBXKSQ-JTQLQIEISA-N 1 2 244.335 0.896 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CCOC(C)(C)C)C1=O ZINC000660016177 411528573 /nfs/dbraw/zinc/52/85/73/411528573.db2.gz FLAOFIHJOBXKSQ-JTQLQIEISA-N 1 2 244.335 0.896 20 0 BCADLO CCN1CC[C@H]([NH+]2CCN(CC)CC2)C1=O ZINC000659827277 411465190 /nfs/dbraw/zinc/46/51/90/411465190.db2.gz PBAMLYDLFNWTPU-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCSC ZINC000367746227 170001509 /nfs/dbraw/zinc/00/15/09/170001509.db2.gz FMIYICPTGNVUEK-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCSC ZINC000367746227 170001511 /nfs/dbraw/zinc/00/15/11/170001511.db2.gz FMIYICPTGNVUEK-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)F ZINC000356653193 170001631 /nfs/dbraw/zinc/00/16/31/170001631.db2.gz OHMXPYRBZUNTHN-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)F ZINC000356653193 170001632 /nfs/dbraw/zinc/00/16/32/170001632.db2.gz OHMXPYRBZUNTHN-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCCF ZINC000360819716 170001685 /nfs/dbraw/zinc/00/16/85/170001685.db2.gz RQMPVOLQFBPNOL-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCCF ZINC000360819716 170001686 /nfs/dbraw/zinc/00/16/86/170001686.db2.gz RQMPVOLQFBPNOL-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCCOC ZINC000360790397 170001732 /nfs/dbraw/zinc/00/17/32/170001732.db2.gz GEROAFOZKZDXCZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCCOC ZINC000360790397 170001734 /nfs/dbraw/zinc/00/17/34/170001734.db2.gz GEROAFOZKZDXCZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nncs2)C1 ZINC000369944443 170004673 /nfs/dbraw/zinc/00/46/73/170004673.db2.gz WPDZSYKFGXDQLN-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2nncs2)C1 ZINC000369944443 170004674 /nfs/dbraw/zinc/00/46/74/170004674.db2.gz WPDZSYKFGXDQLN-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000660119680 411538977 /nfs/dbraw/zinc/53/89/77/411538977.db2.gz UFUZQGJPTLLEPM-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000660119680 411538978 /nfs/dbraw/zinc/53/89/78/411538978.db2.gz UFUZQGJPTLLEPM-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H](O)COC)[C@@H](C)C1 ZINC000309645107 170035163 /nfs/dbraw/zinc/03/51/63/170035163.db2.gz LZXIPAGUTOIFTJ-SRVKXCTJSA-N 1 2 230.352 0.314 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000336776839 170035682 /nfs/dbraw/zinc/03/56/82/170035682.db2.gz GUPOQKGGEBZRLC-RYUDHWBXSA-N 1 2 230.352 0.315 20 0 BCADLO CCNC(=O)C[N@H+](CC(=O)OC)[C@H](C)CC ZINC000337222647 170054825 /nfs/dbraw/zinc/05/48/25/170054825.db2.gz CWVYZTCNRSWRLY-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC(=O)OC)[C@H](C)CC ZINC000337222647 170054827 /nfs/dbraw/zinc/05/48/27/170054827.db2.gz CWVYZTCNRSWRLY-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000367980059 170058963 /nfs/dbraw/zinc/05/89/63/170058963.db2.gz DEWKJQUFGZHQST-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000367980059 170058964 /nfs/dbraw/zinc/05/89/64/170058964.db2.gz DEWKJQUFGZHQST-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000368448169 170060665 /nfs/dbraw/zinc/06/06/65/170060665.db2.gz YHHKJLZHIWOCIJ-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000368448169 170060667 /nfs/dbraw/zinc/06/06/67/170060667.db2.gz YHHKJLZHIWOCIJ-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330543915 170061425 /nfs/dbraw/zinc/06/14/25/170061425.db2.gz UAHHTQLEHPNYIG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330543915 170061427 /nfs/dbraw/zinc/06/14/27/170061427.db2.gz UAHHTQLEHPNYIG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)sn1 ZINC000660134827 411543042 /nfs/dbraw/zinc/54/30/42/411543042.db2.gz TYCURUVETQKUAC-MRVPVSSYSA-N 1 2 241.316 0.472 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)sn1 ZINC000660134827 411543044 /nfs/dbraw/zinc/54/30/44/411543044.db2.gz TYCURUVETQKUAC-MRVPVSSYSA-N 1 2 241.316 0.472 20 0 BCADLO CCc1cnc(C[NH2+][C@H]2CCNC2=O)s1 ZINC000657526108 411543445 /nfs/dbraw/zinc/54/34/45/411543445.db2.gz ZZMXSKKVPPWHRN-QMMMGPOBSA-N 1 2 225.317 0.684 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1nccn1C)OC ZINC000660137253 411543810 /nfs/dbraw/zinc/54/38/10/411543810.db2.gz NTHZOXIYFKEWCJ-SNVBAGLBSA-N 1 2 227.308 0.513 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000660137253 411543811 /nfs/dbraw/zinc/54/38/11/411543811.db2.gz NTHZOXIYFKEWCJ-SNVBAGLBSA-N 1 2 227.308 0.513 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000336259426 170077930 /nfs/dbraw/zinc/07/79/30/170077930.db2.gz ADGVXHIZSMMZPS-SFYZADRCSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000336259426 170077931 /nfs/dbraw/zinc/07/79/31/170077931.db2.gz ADGVXHIZSMMZPS-SFYZADRCSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178689703 170083489 /nfs/dbraw/zinc/08/34/89/170083489.db2.gz ICBJZBFDFGPNIY-JTQLQIEISA-N 1 2 234.303 0.979 20 0 BCADLO CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000330646571 170091846 /nfs/dbraw/zinc/09/18/46/170091846.db2.gz GUVDODCPAPLBOI-SECBINFHSA-N 1 2 210.281 0.159 20 0 BCADLO CCN(C)S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660098866 411537479 /nfs/dbraw/zinc/53/74/79/411537479.db2.gz CUKFIEITXVERAH-MRVPVSSYSA-N 1 2 246.336 0.267 20 0 BCADLO COCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660103868 411537670 /nfs/dbraw/zinc/53/76/70/411537670.db2.gz JJDASOBMISBGLT-MRVPVSSYSA-N 1 2 247.320 0.047 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)C[C@H](O)C(F)(F)F ZINC000660173690 411552001 /nfs/dbraw/zinc/55/20/01/411552001.db2.gz UFTZVPXLEDSWIL-ZETCQYMHSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)C[C@H](O)C(F)(F)F ZINC000660173690 411552002 /nfs/dbraw/zinc/55/20/02/411552002.db2.gz UFTZVPXLEDSWIL-ZETCQYMHSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)C[C@H](O)C(F)(F)F ZINC000660173690 411552003 /nfs/dbraw/zinc/55/20/03/411552003.db2.gz UFTZVPXLEDSWIL-ZETCQYMHSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)C[C@H](O)C(F)(F)F ZINC000660173690 411552004 /nfs/dbraw/zinc/55/20/04/411552004.db2.gz UFTZVPXLEDSWIL-ZETCQYMHSA-N 1 2 238.213 0.202 20 0 BCADLO CCNS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000368294165 170133915 /nfs/dbraw/zinc/13/39/15/170133915.db2.gz OVUOXQMCQUYVFT-MRVPVSSYSA-N 1 2 244.320 0.401 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660143654 411544768 /nfs/dbraw/zinc/54/47/68/411544768.db2.gz YQPAATNHQNFNDF-SNVBAGLBSA-N 1 2 227.308 0.629 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660143654 411544770 /nfs/dbraw/zinc/54/47/70/411544770.db2.gz YQPAATNHQNFNDF-SNVBAGLBSA-N 1 2 227.308 0.629 20 0 BCADLO CN(CC(=O)Nc1ccon1)Cc1[nH]cc[nH+]1 ZINC000660144381 411544840 /nfs/dbraw/zinc/54/48/40/411544840.db2.gz VDQSTTNWYOXCNH-UHFFFAOYSA-N 1 2 235.247 0.468 20 0 BCADLO CC(=O)[C@@](C)(O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660143048 411544957 /nfs/dbraw/zinc/54/49/57/411544957.db2.gz QKANYJCRWKNJKK-JTQLQIEISA-N 1 2 211.265 0.182 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c(C)o1 ZINC000660150068 411546892 /nfs/dbraw/zinc/54/68/92/411546892.db2.gz NLBSRYHBXUHHPQ-VIFPVBQESA-N 1 2 238.291 0.534 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(C)o1 ZINC000660150068 411546893 /nfs/dbraw/zinc/54/68/93/411546893.db2.gz NLBSRYHBXUHHPQ-VIFPVBQESA-N 1 2 238.291 0.534 20 0 BCADLO CO[C@H](C[NH2+]Cc1cn[nH]c1C)[C@@H]1CCOC1 ZINC000657543442 411547148 /nfs/dbraw/zinc/54/71/48/411547148.db2.gz LRWFPCLLXXFCBC-ZYHUDNBSSA-N 1 2 239.319 0.859 20 0 BCADLO CCNc1[nH+]cnc(-n2cccn2)c1N ZINC000301753193 170178586 /nfs/dbraw/zinc/17/85/86/170178586.db2.gz BTDVIVJVEQQMKZ-UHFFFAOYSA-N 1 2 204.237 0.676 20 0 BCADLO CCOC(=O)C(C)(C)[N@H+](C)CCn1cncn1 ZINC000339791179 170186075 /nfs/dbraw/zinc/18/60/75/170186075.db2.gz WVTUBRNNTLJJBF-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO CCOC(=O)C(C)(C)[N@@H+](C)CCn1cncn1 ZINC000339791179 170186076 /nfs/dbraw/zinc/18/60/76/170186076.db2.gz WVTUBRNNTLJJBF-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)NC ZINC000121540389 170187608 /nfs/dbraw/zinc/18/76/08/170187608.db2.gz UENHRUAIJONHLF-UHFFFAOYSA-N 1 2 216.281 0.054 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000660296611 411565907 /nfs/dbraw/zinc/56/59/07/411565907.db2.gz DCSISJPBPFXXFU-UHFFFAOYSA-N 1 2 235.287 0.730 20 0 BCADLO CCOC(=O)CCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275622845 170202702 /nfs/dbraw/zinc/20/27/02/170202702.db2.gz UPDMXCVTBJZPBV-SECBINFHSA-N 1 2 240.307 0.809 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000336654866 170204908 /nfs/dbraw/zinc/20/49/08/170204908.db2.gz GXFRFFKIFPHPKT-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000336654866 170204910 /nfs/dbraw/zinc/20/49/10/170204910.db2.gz GXFRFFKIFPHPKT-UHFFFAOYSA-N 1 2 226.280 0.498 20 0 BCADLO CCOC(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264762372 170209147 /nfs/dbraw/zinc/20/91/47/170209147.db2.gz ULHQXPPPWKELHT-UHFFFAOYSA-N 1 2 225.248 0.401 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000048335946 170214558 /nfs/dbraw/zinc/21/45/58/170214558.db2.gz FQJADAQICGILSL-MRVPVSSYSA-N 1 2 217.265 0.290 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000048335946 170214559 /nfs/dbraw/zinc/21/45/59/170214559.db2.gz FQJADAQICGILSL-MRVPVSSYSA-N 1 2 217.265 0.290 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000342125156 170216122 /nfs/dbraw/zinc/21/61/22/170216122.db2.gz JCZLBGYVAYLYHQ-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000342125156 170216123 /nfs/dbraw/zinc/21/61/23/170216123.db2.gz JCZLBGYVAYLYHQ-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)CN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000091773073 170217692 /nfs/dbraw/zinc/21/76/92/170217692.db2.gz FUEAYVLXXSYIKO-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO CCOC(=O)CN(Cc1c[nH]c[nH+]1)C1CC1 ZINC000091773073 170217693 /nfs/dbraw/zinc/21/76/93/170217693.db2.gz FUEAYVLXXSYIKO-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@H](O)CC ZINC000338920256 170217908 /nfs/dbraw/zinc/21/79/08/170217908.db2.gz KHRVQAWPOMHAOY-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@H](O)CC ZINC000338920256 170217909 /nfs/dbraw/zinc/21/79/09/170217909.db2.gz KHRVQAWPOMHAOY-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369036520 170220051 /nfs/dbraw/zinc/22/00/51/170220051.db2.gz RTBBXQBBWNHDAV-NSHDSACASA-N 1 2 242.275 0.124 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369036520 170220052 /nfs/dbraw/zinc/22/00/52/170220052.db2.gz RTBBXQBBWNHDAV-NSHDSACASA-N 1 2 242.275 0.124 20 0 BCADLO CCOC(=O)CN[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000365614414 170227173 /nfs/dbraw/zinc/22/71/73/170227173.db2.gz SWHKILXUHJLMPD-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)CN[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000365614414 170227174 /nfs/dbraw/zinc/22/71/74/170227174.db2.gz SWHKILXUHJLMPD-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000308189111 170227276 /nfs/dbraw/zinc/22/72/76/170227276.db2.gz MHFHYJXFCKAHFU-YUMQZZPRSA-N 1 2 203.307 0.891 20 0 BCADLO CCOC(=O)COCCNc1cc[nH+]c(C)n1 ZINC000294924057 170228646 /nfs/dbraw/zinc/22/86/46/170228646.db2.gz GUNPCMOBDCCZEK-UHFFFAOYSA-N 1 2 239.275 0.777 20 0 BCADLO Cn1cnc(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000660237437 411557940 /nfs/dbraw/zinc/55/79/40/411557940.db2.gz CUBNUQYYERZWMJ-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO Cn1cnc(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000660237437 411557942 /nfs/dbraw/zinc/55/79/42/411557942.db2.gz CUBNUQYYERZWMJ-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000340234987 170247152 /nfs/dbraw/zinc/24/71/52/170247152.db2.gz CHLQRIHAZPJFOB-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330596293 170249845 /nfs/dbraw/zinc/24/98/45/170249845.db2.gz CDFZAWNAOFICEN-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330596293 170249847 /nfs/dbraw/zinc/24/98/47/170249847.db2.gz CDFZAWNAOFICEN-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)[C@H]1CCNC1=O ZINC000340227170 170250456 /nfs/dbraw/zinc/25/04/56/170250456.db2.gz ZMKJJXQCYZYERY-BDAKNGLRSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227170 170250457 /nfs/dbraw/zinc/25/04/57/170250457.db2.gz ZMKJJXQCYZYERY-BDAKNGLRSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000296794426 170258108 /nfs/dbraw/zinc/25/81/08/170258108.db2.gz OJLDLWFBORBUHB-SECBINFHSA-N 1 2 238.291 0.580 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000296794426 170258109 /nfs/dbraw/zinc/25/81/09/170258109.db2.gz OJLDLWFBORBUHB-SECBINFHSA-N 1 2 238.291 0.580 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccon1 ZINC000274664811 170261153 /nfs/dbraw/zinc/26/11/53/170261153.db2.gz QRRQXGVTGZZPPO-NSHDSACASA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccon1 ZINC000274664811 170261154 /nfs/dbraw/zinc/26/11/54/170261154.db2.gz QRRQXGVTGZZPPO-NSHDSACASA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1c[nH+]cn1C ZINC000353591803 170265135 /nfs/dbraw/zinc/26/51/35/170265135.db2.gz NKRZISANOFSNFW-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000062253884 170265897 /nfs/dbraw/zinc/26/58/97/170265897.db2.gz WHIFPBKUPBHBNY-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)C2CC2)[nH]1 ZINC000657607158 411561252 /nfs/dbraw/zinc/56/12/52/411561252.db2.gz DISLGTXFACLQSD-ZETCQYMHSA-N 1 2 210.281 0.839 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375334498 170267186 /nfs/dbraw/zinc/26/71/86/170267186.db2.gz SQNVRTYXODPBCC-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375334498 170267187 /nfs/dbraw/zinc/26/71/87/170267187.db2.gz SQNVRTYXODPBCC-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330596292 170271747 /nfs/dbraw/zinc/27/17/47/170271747.db2.gz CDFZAWNAOFICEN-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330596292 170271749 /nfs/dbraw/zinc/27/17/49/170271749.db2.gz CDFZAWNAOFICEN-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO COCc1nnc(C[NH2+]C2CCCC2)[nH]1 ZINC000657608171 411561952 /nfs/dbraw/zinc/56/19/52/411561952.db2.gz SCCLFJBPWROVEY-UHFFFAOYSA-N 1 2 210.281 0.983 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000296794429 170279899 /nfs/dbraw/zinc/27/98/99/170279899.db2.gz OJLDLWFBORBUHB-VIFPVBQESA-N 1 2 238.291 0.580 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000296794429 170279902 /nfs/dbraw/zinc/27/99/02/170279902.db2.gz OJLDLWFBORBUHB-VIFPVBQESA-N 1 2 238.291 0.580 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC000274362005 170280800 /nfs/dbraw/zinc/28/08/00/170280800.db2.gz ZSQJPHISCLEDIS-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CCn1cncn1 ZINC000274362005 170280801 /nfs/dbraw/zinc/28/08/01/170280801.db2.gz ZSQJPHISCLEDIS-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccon1 ZINC000354932817 170284971 /nfs/dbraw/zinc/28/49/71/170284971.db2.gz TZOYPSKZLPEOGW-GZMMTYOYSA-N 1 2 242.275 0.639 20 0 BCADLO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccn[nH]1 ZINC000657619124 411565000 /nfs/dbraw/zinc/56/50/00/411565000.db2.gz RXIOTGMTJWDMLQ-QMMMGPOBSA-N 1 2 217.219 0.924 20 0 BCADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCc1cnn[nH]1 ZINC000660367415 411572676 /nfs/dbraw/zinc/57/26/76/411572676.db2.gz IEJLWOQVLIKHQF-RKDXNWHRSA-N 1 2 224.308 0.581 20 0 BCADLO CCOC1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000297946268 170334294 /nfs/dbraw/zinc/33/42/94/170334294.db2.gz VSMWYPXRZPSUQH-UHFFFAOYSA-N 1 2 238.291 0.313 20 0 BCADLO CCOCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374376958 170341597 /nfs/dbraw/zinc/34/15/97/170341597.db2.gz HNZZALMRLFBCSV-LBPRGKRZSA-N 1 2 249.314 0.591 20 0 BCADLO CCOCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374376957 170341705 /nfs/dbraw/zinc/34/17/05/170341705.db2.gz HNZZALMRLFBCSV-GFCCVEGCSA-N 1 2 249.314 0.591 20 0 BCADLO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ncn(C)n1 ZINC000660375049 411575241 /nfs/dbraw/zinc/57/52/41/411575241.db2.gz YWUXBYPRZAUVOP-HTQZYQBOSA-N 1 2 246.261 0.890 20 0 BCADLO CCOCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000355133454 170353903 /nfs/dbraw/zinc/35/39/03/170353903.db2.gz OVWXDLHQARONPB-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000355133454 170353904 /nfs/dbraw/zinc/35/39/04/170353904.db2.gz OVWXDLHQARONPB-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000076840667 170357546 /nfs/dbraw/zinc/35/75/46/170357546.db2.gz QFARLWUOKVZPSP-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCOCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263990128 170362313 /nfs/dbraw/zinc/36/23/13/170362313.db2.gz NCPACTUIKVZBPL-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000660322948 411568790 /nfs/dbraw/zinc/56/87/90/411568790.db2.gz OYQTVIAXSKWUQU-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000660322948 411568791 /nfs/dbraw/zinc/56/87/91/411568791.db2.gz OYQTVIAXSKWUQU-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2cocn2)CS1(=O)=O ZINC000657640463 411569481 /nfs/dbraw/zinc/56/94/81/411569481.db2.gz XJUBQWGVAKEDGL-DTWKUNHWSA-N 1 2 244.316 0.730 20 0 BCADLO CCOCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000271673413 170386294 /nfs/dbraw/zinc/38/62/94/170386294.db2.gz LTWHJTQOXYUBPV-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCOCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000362272537 170387371 /nfs/dbraw/zinc/38/73/71/170387371.db2.gz GPEKWKDRZOKBIV-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOCCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000362272537 170387373 /nfs/dbraw/zinc/38/73/73/170387373.db2.gz GPEKWKDRZOKBIV-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375435619 170387545 /nfs/dbraw/zinc/38/75/45/170387545.db2.gz GNEOYNZSYPKRMF-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CCOCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000357196590 170391233 /nfs/dbraw/zinc/39/12/33/170391233.db2.gz CQNRKCPEYRGRLM-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO CCOCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000357196590 170391234 /nfs/dbraw/zinc/39/12/34/170391234.db2.gz CQNRKCPEYRGRLM-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO O=C(Nc1ccon1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334189314 411623239 /nfs/dbraw/zinc/62/32/39/411623239.db2.gz GXRZAIVYEZKDTR-ZETCQYMHSA-N 1 2 247.258 1.077 20 0 BCADLO O=C(Nc1ccon1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334189314 411623244 /nfs/dbraw/zinc/62/32/44/411623244.db2.gz GXRZAIVYEZKDTR-ZETCQYMHSA-N 1 2 247.258 1.077 20 0 BCADLO CCOCC[N@H+](CC)Cc1nnc(C)n1C ZINC000107679968 170395593 /nfs/dbraw/zinc/39/55/93/170395593.db2.gz XIIUZMLPCAPJBE-UHFFFAOYSA-N 1 2 226.324 0.982 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nnc(C)n1C ZINC000107679968 170395594 /nfs/dbraw/zinc/39/55/94/170395594.db2.gz XIIUZMLPCAPJBE-UHFFFAOYSA-N 1 2 226.324 0.982 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n[nH]1 ZINC000375421363 411624526 /nfs/dbraw/zinc/62/45/26/411624526.db2.gz GPQXDJKGSDQLTO-LURJTMIESA-N 1 2 230.218 0.654 20 0 BCADLO CC[C@H]1NC(=O)N([C@H](C)c2[nH+]ccn2C)C1=O ZINC000663328061 411626581 /nfs/dbraw/zinc/62/65/81/411626581.db2.gz OCAFQESCGOPDCF-HTQZYQBOSA-N 1 2 236.275 0.812 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](CF)C1=O ZINC000663328685 411626624 /nfs/dbraw/zinc/62/66/24/411626624.db2.gz SSVBSNWKRQUJGX-BQBZGAKWSA-N 1 2 240.238 0.371 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@H](C2CC2)C1=O ZINC000663328108 411626651 /nfs/dbraw/zinc/62/66/51/411626651.db2.gz OVZCBSCLJOPPLM-VXNVDRBHSA-N 1 2 248.286 0.812 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCOCCF ZINC000663341473 411630660 /nfs/dbraw/zinc/63/06/60/411630660.db2.gz YUOACVOTZOEDPS-UHFFFAOYSA-N 1 2 201.245 0.794 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000364993161 411632149 /nfs/dbraw/zinc/63/21/49/411632149.db2.gz JWCXXEMBOLJAAO-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BCADLO Cc1cc(NCC2(S(C)(=O)=O)CC2)nc[nH+]1 ZINC000336746031 411647011 /nfs/dbraw/zinc/64/70/11/411647011.db2.gz WAJDKDMABXPYPO-UHFFFAOYSA-N 1 2 241.316 0.774 20 0 BCADLO Cc1cc(NCC(=O)NC2CCCC2)nc[nH+]1 ZINC000599725567 411643349 /nfs/dbraw/zinc/64/33/49/411643349.db2.gz CHOKYGTVEIKDEY-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000660813599 411644921 /nfs/dbraw/zinc/64/49/21/411644921.db2.gz WZELHIFRNXLCRD-WCBMZHEXSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000660813599 411644925 /nfs/dbraw/zinc/64/49/25/411644925.db2.gz WZELHIFRNXLCRD-WCBMZHEXSA-N 1 2 228.317 0.725 20 0 BCADLO CC1(C)C[C@H]([N@@H+]2CCc3nn[nH]c3C2)CO1 ZINC000660388491 411577569 /nfs/dbraw/zinc/57/75/69/411577569.db2.gz UEFWBVPRDPMZLN-QMMMGPOBSA-N 1 2 222.292 0.730 20 0 BCADLO CC1(C)C[C@H]([N@H+]2CCc3nn[nH]c3C2)CO1 ZINC000660388491 411577570 /nfs/dbraw/zinc/57/75/70/411577570.db2.gz UEFWBVPRDPMZLN-QMMMGPOBSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660392045 411578310 /nfs/dbraw/zinc/57/83/10/411578310.db2.gz WWGOIYKCLJKXMO-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660392045 411578311 /nfs/dbraw/zinc/57/83/11/411578311.db2.gz WWGOIYKCLJKXMO-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO Cn1c[nH+]c(CN2C[C@H](O)CC(F)(F)C2)c1 ZINC000660392784 411578561 /nfs/dbraw/zinc/57/85/61/411578561.db2.gz RKWNDBQSIGLLEN-SECBINFHSA-N 1 2 231.246 0.622 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(C)o1 ZINC000660395356 411579160 /nfs/dbraw/zinc/57/91/60/411579160.db2.gz JFDGNERONOELSH-ZYHUDNBSSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(C)o1 ZINC000660395356 411579162 /nfs/dbraw/zinc/57/91/62/411579162.db2.gz JFDGNERONOELSH-ZYHUDNBSSA-N 1 2 240.303 0.467 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2ccccc2n1 ZINC000660394149 411579317 /nfs/dbraw/zinc/57/93/17/411579317.db2.gz YXAADCYLCPJBEF-UHFFFAOYSA-N 1 2 244.298 0.937 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2ccccc2n1 ZINC000660394149 411579319 /nfs/dbraw/zinc/57/93/19/411579319.db2.gz YXAADCYLCPJBEF-UHFFFAOYSA-N 1 2 244.298 0.937 20 0 BCADLO O[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000657704728 411584100 /nfs/dbraw/zinc/58/41/00/411584100.db2.gz HYAPHULOKZZBPI-ZJUUUORDSA-N 1 2 207.277 0.803 20 0 BCADLO O[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000657704727 411584113 /nfs/dbraw/zinc/58/41/13/411584113.db2.gz HYAPHULOKZZBPI-VHSXEESVSA-N 1 2 207.277 0.803 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000660468845 411589884 /nfs/dbraw/zinc/58/98/84/411589884.db2.gz WMDNPLHJYDNYLO-GHMZBOCLSA-N 1 2 234.303 0.131 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000660468845 411589885 /nfs/dbraw/zinc/58/98/85/411589885.db2.gz WMDNPLHJYDNYLO-GHMZBOCLSA-N 1 2 234.303 0.131 20 0 BCADLO CCS(=O)(=O)C1(C[NH2+]Cc2cocn2)CC1 ZINC000657758529 411590931 /nfs/dbraw/zinc/59/09/31/411590931.db2.gz DZWFMWCMKLULCI-UHFFFAOYSA-N 1 2 244.316 0.732 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)co1 ZINC000660480279 411591242 /nfs/dbraw/zinc/59/12/42/411591242.db2.gz SUUBRWZLDGGECE-XCBNKYQSSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1nc(C[NH2+][C@@](C)(C(N)=O)C(C)C)co1 ZINC000660543088 411598044 /nfs/dbraw/zinc/59/80/44/411598044.db2.gz ZZMLRAWTBWZGFN-LLVKDONJSA-N 1 2 225.292 0.973 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@@H](C)OC)C1=O ZINC000660552017 411598680 /nfs/dbraw/zinc/59/86/80/411598680.db2.gz OYNSKHDWVHWWBU-RKDXNWHRSA-N 1 2 216.281 0.115 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@@H](C)OC)C1=O ZINC000660552017 411598682 /nfs/dbraw/zinc/59/86/82/411598682.db2.gz OYNSKHDWVHWWBU-RKDXNWHRSA-N 1 2 216.281 0.115 20 0 BCADLO CN(C)c1noc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660582510 411603167 /nfs/dbraw/zinc/60/31/67/411603167.db2.gz USRGFWPIGUISNU-UHFFFAOYSA-N 1 2 248.290 0.348 20 0 BCADLO C[C@H](CN1CCn2c[nH+]cc2C1)S(C)(=O)=O ZINC000660582923 411603924 /nfs/dbraw/zinc/60/39/24/411603924.db2.gz BLZOVLWUJOPKPQ-SECBINFHSA-N 1 2 243.332 0.132 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000660611040 411607208 /nfs/dbraw/zinc/60/72/08/411607208.db2.gz OBHZOUCLGGASSM-AXTSPUMRSA-N 1 2 236.319 0.598 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000660611040 411607210 /nfs/dbraw/zinc/60/72/10/411607210.db2.gz OBHZOUCLGGASSM-AXTSPUMRSA-N 1 2 236.319 0.598 20 0 BCADLO C[N@H+](Cc1csnn1)C1(CO)CCC1 ZINC000660613689 411607525 /nfs/dbraw/zinc/60/75/25/411607525.db2.gz GVKHNIWGYRIEIS-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[N@@H+](Cc1csnn1)C1(CO)CCC1 ZINC000660613689 411607526 /nfs/dbraw/zinc/60/75/26/411607526.db2.gz GVKHNIWGYRIEIS-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)[C@H]1C ZINC000660640217 411610906 /nfs/dbraw/zinc/61/09/06/411610906.db2.gz OBNLSWKIPGAUDJ-BDAKNGLRSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)[C@H]1C ZINC000660640217 411610907 /nfs/dbraw/zinc/61/09/07/411610907.db2.gz OBNLSWKIPGAUDJ-BDAKNGLRSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2cnccn2)[C@H]1C ZINC000660640221 411611172 /nfs/dbraw/zinc/61/11/72/411611172.db2.gz OBNLSWKIPGAUDJ-IUCAKERBSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2cnccn2)[C@H]1C ZINC000660640221 411611176 /nfs/dbraw/zinc/61/11/76/411611176.db2.gz OBNLSWKIPGAUDJ-IUCAKERBSA-N 1 2 220.276 0.755 20 0 BCADLO CCc1nocc1C[N@H+](C)C(C)(C)C(N)=O ZINC000660646868 411611631 /nfs/dbraw/zinc/61/16/31/411611631.db2.gz GBJZERSWWVTBDU-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO CCc1nocc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000660646868 411611633 /nfs/dbraw/zinc/61/16/33/411611633.db2.gz GBJZERSWWVTBDU-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000660727045 411619447 /nfs/dbraw/zinc/61/94/47/411619447.db2.gz FQGMDZFZUZBLHD-JTQLQIEISA-N 1 2 249.376 0.512 20 0 BCADLO COC[C@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000660738069 411620191 /nfs/dbraw/zinc/62/01/91/411620191.db2.gz OKEQQKVGPFTGST-IUCAKERBSA-N 1 2 241.278 0.596 20 0 BCADLO COC[C@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000660738069 411620192 /nfs/dbraw/zinc/62/01/92/411620192.db2.gz OKEQQKVGPFTGST-IUCAKERBSA-N 1 2 241.278 0.596 20 0 BCADLO CCn1nncc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661093774 411706171 /nfs/dbraw/zinc/70/61/71/411706171.db2.gz RRISASVPYVLOOC-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCn1nncc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661093774 411706173 /nfs/dbraw/zinc/70/61/73/411706173.db2.gz RRISASVPYVLOOC-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO c1nc2c(c(NCC3COC3)[nH+]1)OCCN2 ZINC000624677246 411706300 /nfs/dbraw/zinc/70/63/00/411706300.db2.gz XWJSAWUVHOODNV-UHFFFAOYSA-N 1 2 222.248 0.339 20 0 BCADLO c1nc(NCC2COC2)c2c([nH+]1)NCCO2 ZINC000624677246 411706302 /nfs/dbraw/zinc/70/63/02/411706302.db2.gz XWJSAWUVHOODNV-UHFFFAOYSA-N 1 2 222.248 0.339 20 0 BCADLO CCOCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000354256761 411712630 /nfs/dbraw/zinc/71/26/30/411712630.db2.gz TUGQRNZXEPNFEP-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CCOCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000354256761 411712635 /nfs/dbraw/zinc/71/26/35/411712635.db2.gz TUGQRNZXEPNFEP-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO Cc1cccc2[nH+]cc(CNc3ncn(C)n3)n21 ZINC000431042687 411713563 /nfs/dbraw/zinc/71/35/63/411713563.db2.gz JYURHDSWZYYSNQ-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BCADLO COCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000071490936 411716215 /nfs/dbraw/zinc/71/62/15/411716215.db2.gz ZHNSBMKFSGCEAL-UHFFFAOYSA-N 1 2 247.298 0.948 20 0 BCADLO COC[C@H](C)CNc1ccc(CO)c[nH+]1 ZINC000379956198 411647510 /nfs/dbraw/zinc/64/75/10/411647510.db2.gz VNAMAPGMOKDMNH-SECBINFHSA-N 1 2 210.277 1.268 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660832393 411649659 /nfs/dbraw/zinc/64/96/59/411649659.db2.gz WQPKZANCLRDZFA-VHSXEESVSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660832393 411649664 /nfs/dbraw/zinc/64/96/64/411649664.db2.gz WQPKZANCLRDZFA-VHSXEESVSA-N 1 2 224.308 0.298 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000660833806 411650692 /nfs/dbraw/zinc/65/06/92/411650692.db2.gz QSFJGNCWMVJSRS-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000660833806 411650696 /nfs/dbraw/zinc/65/06/96/411650696.db2.gz QSFJGNCWMVJSRS-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO C[C@H](c1cnccn1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844049 411652534 /nfs/dbraw/zinc/65/25/34/411652534.db2.gz FWMMUJBNJWDBCP-SSDOTTSWSA-N 1 2 235.247 0.758 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844049 411652538 /nfs/dbraw/zinc/65/25/38/411652538.db2.gz FWMMUJBNJWDBCP-SSDOTTSWSA-N 1 2 235.247 0.758 20 0 BCADLO COC[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000571226638 411652608 /nfs/dbraw/zinc/65/26/08/411652608.db2.gz SONPJINLQWJKNI-JTQLQIEISA-N 1 2 225.292 1.167 20 0 BCADLO C[N@H+](CCCCCO)Cc1n[nH]c(=O)o1 ZINC000660848313 411655406 /nfs/dbraw/zinc/65/54/06/411655406.db2.gz GIEMLYPFHILYJR-UHFFFAOYSA-N 1 2 215.253 0.370 20 0 BCADLO C[N@@H+](CCCCCO)Cc1n[nH]c(=O)o1 ZINC000660848313 411655412 /nfs/dbraw/zinc/65/54/12/411655412.db2.gz GIEMLYPFHILYJR-UHFFFAOYSA-N 1 2 215.253 0.370 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccncc1 ZINC000660850232 411656679 /nfs/dbraw/zinc/65/66/79/411656679.db2.gz SWQJLBXSDZMPOM-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccncc1 ZINC000660850232 411656682 /nfs/dbraw/zinc/65/66/82/411656682.db2.gz SWQJLBXSDZMPOM-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO COCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848101 411657555 /nfs/dbraw/zinc/65/75/55/411657555.db2.gz MHEDDEYHBVZQAH-SSDOTTSWSA-N 1 2 215.253 0.632 20 0 BCADLO COCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848101 411657559 /nfs/dbraw/zinc/65/75/59/411657559.db2.gz MHEDDEYHBVZQAH-SSDOTTSWSA-N 1 2 215.253 0.632 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccccn1 ZINC000660850373 411658430 /nfs/dbraw/zinc/65/84/30/411658430.db2.gz UXYAQINMLFNLNZ-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccccn1 ZINC000660850373 411658435 /nfs/dbraw/zinc/65/84/35/411658435.db2.gz UXYAQINMLFNLNZ-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO FC(F)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139331 411717277 /nfs/dbraw/zinc/71/72/77/411717277.db2.gz HMVXRGNHXJKYMA-MRVPVSSYSA-N 1 2 216.235 0.865 20 0 BCADLO FC(F)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139331 411717279 /nfs/dbraw/zinc/71/72/79/411717279.db2.gz HMVXRGNHXJKYMA-MRVPVSSYSA-N 1 2 216.235 0.865 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1coc(C)n1 ZINC000660916642 411670144 /nfs/dbraw/zinc/67/01/44/411670144.db2.gz ICYNJQDLDSZMLT-GHMZBOCLSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1coc(C)n1 ZINC000660916642 411670147 /nfs/dbraw/zinc/67/01/47/411670147.db2.gz ICYNJQDLDSZMLT-GHMZBOCLSA-N 1 2 226.276 0.565 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000582298147 411671693 /nfs/dbraw/zinc/67/16/93/411671693.db2.gz DQSHBXKJMYMAFM-GHMZBOCLSA-N 1 2 249.314 1.488 20 0 BCADLO CO[C@@H]1COCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000450696661 411671964 /nfs/dbraw/zinc/67/19/64/411671964.db2.gz TWCLDXUCMFNZJP-WDEREUQCSA-N 1 2 237.303 1.248 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660927518 411676338 /nfs/dbraw/zinc/67/63/38/411676338.db2.gz CPXLIYOLHLZXGN-YUMQZZPRSA-N 1 2 234.307 0.410 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660927518 411676341 /nfs/dbraw/zinc/67/63/41/411676341.db2.gz CPXLIYOLHLZXGN-YUMQZZPRSA-N 1 2 234.307 0.410 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1NC[C@@H](C)O ZINC000571537059 411679356 /nfs/dbraw/zinc/67/93/56/411679356.db2.gz COJZJTPTGCAMEU-SSDOTTSWSA-N 1 2 237.303 1.464 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1NC[C@H](C)O ZINC000583273835 411680519 /nfs/dbraw/zinc/68/05/19/411680519.db2.gz COJZJTPTGCAMEU-ZETCQYMHSA-N 1 2 237.303 1.464 20 0 BCADLO CO[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000359238873 411680798 /nfs/dbraw/zinc/68/07/98/411680798.db2.gz HJTJHSLRDYQCLQ-ZDUSSCGKSA-N 1 2 249.314 1.571 20 0 BCADLO C[C@@H](NC(=O)N[C@H]1CCOC1)c1[nH+]ccn1C ZINC000660945731 411685888 /nfs/dbraw/zinc/68/58/88/411685888.db2.gz NCCXFUWDCUYZKT-BDAKNGLRSA-N 1 2 238.291 0.569 20 0 BCADLO OCCOCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000372115675 411686665 /nfs/dbraw/zinc/68/66/65/411686665.db2.gz IGVIHOHEPANFLG-UHFFFAOYSA-N 1 2 248.286 0.688 20 0 BCADLO OCCCCCNc1cc(CO)cc[nH+]1 ZINC000641543748 411686769 /nfs/dbraw/zinc/68/67/69/411686769.db2.gz JKTDLEINDCOUMR-UHFFFAOYSA-N 1 2 210.277 1.148 20 0 BCADLO OC[C@H](O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631170976 411689088 /nfs/dbraw/zinc/68/90/88/411689088.db2.gz SVMBCLHDHSIIHP-MRVPVSSYSA-N 1 2 248.286 0.600 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689493 /nfs/dbraw/zinc/68/94/93/411689493.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO c1[nH]nnc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689497 /nfs/dbraw/zinc/68/94/97/411689497.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689501 /nfs/dbraw/zinc/68/95/01/411689501.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689503 /nfs/dbraw/zinc/68/95/03/411689503.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689509 /nfs/dbraw/zinc/68/95/09/411689509.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689514 /nfs/dbraw/zinc/68/95/14/411689514.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 1 2 222.292 0.807 20 0 BCADLO OCc1nnc(NCc2cccc3[nH+]ccn32)o1 ZINC000340690228 411692073 /nfs/dbraw/zinc/69/20/73/411692073.db2.gz ODAYIUIZFYLZGQ-UHFFFAOYSA-N 1 2 245.242 0.822 20 0 BCADLO OCc1ccc(NCCC[C@H]2CCO2)[nH+]c1 ZINC000639132217 411692980 /nfs/dbraw/zinc/69/29/80/411692980.db2.gz INOZAPUIEKRXKV-NSHDSACASA-N 1 2 222.288 1.555 20 0 BCADLO OCc1cc[nH+]c(NCCNc2cnccn2)c1 ZINC000641307027 411693699 /nfs/dbraw/zinc/69/36/99/411693699.db2.gz VKFOPMAKMKHDAA-UHFFFAOYSA-N 1 2 245.286 0.888 20 0 BCADLO CC[C@@H](C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083203 411696160 /nfs/dbraw/zinc/69/61/60/411696160.db2.gz ATZQKPNSHZPROZ-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO CC[C@@H](C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083203 411696165 /nfs/dbraw/zinc/69/61/65/411696165.db2.gz ATZQKPNSHZPROZ-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO CN(CC(=O)Nc1ccon1)Cc1c[nH+]c[nH]1 ZINC000661085215 411696819 /nfs/dbraw/zinc/69/68/19/411696819.db2.gz YNEDAQGYRMHNKI-UHFFFAOYSA-N 1 2 235.247 0.468 20 0 BCADLO CN(CC(=O)Nc1ccon1)Cc1c[nH]c[nH+]1 ZINC000661085215 411696821 /nfs/dbraw/zinc/69/68/21/411696821.db2.gz YNEDAQGYRMHNKI-UHFFFAOYSA-N 1 2 235.247 0.468 20 0 BCADLO CC(C)CNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083011 411697397 /nfs/dbraw/zinc/69/73/97/411697397.db2.gz HCLGODNDAIHMID-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CC(C)CNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083011 411697399 /nfs/dbraw/zinc/69/73/99/411697399.db2.gz HCLGODNDAIHMID-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CC[C@H](C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083204 411697676 /nfs/dbraw/zinc/69/76/76/411697676.db2.gz ATZQKPNSHZPROZ-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO CC[C@H](C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083204 411697683 /nfs/dbraw/zinc/69/76/83/411697683.db2.gz ATZQKPNSHZPROZ-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO Nc1cccc2c1cc[nH+]c2N1CC(O)C1 ZINC000663529381 411699122 /nfs/dbraw/zinc/69/91/22/411699122.db2.gz BGOGNAFPTYDYAX-UHFFFAOYSA-N 1 2 215.256 0.998 20 0 BCADLO Cn1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1=O ZINC000661086675 411700387 /nfs/dbraw/zinc/70/03/87/411700387.db2.gz DLHFMEFSBPOTAC-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO Cn1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1=O ZINC000661086675 411700391 /nfs/dbraw/zinc/70/03/91/411700391.db2.gz DLHFMEFSBPOTAC-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO CCN1OC[C@@H](N(C)Cc2c[nH+]c[nH]2)C1=O ZINC000661089708 411702335 /nfs/dbraw/zinc/70/23/35/411702335.db2.gz FVLBKTZTAYSIJI-SECBINFHSA-N 1 2 224.264 0.004 20 0 BCADLO CCN1OC[C@@H](N(C)Cc2c[nH]c[nH+]2)C1=O ZINC000661089708 411702339 /nfs/dbraw/zinc/70/23/39/411702339.db2.gz FVLBKTZTAYSIJI-SECBINFHSA-N 1 2 224.264 0.004 20 0 BCADLO CCn1nnc(C)c1CN(C)Cc1c[nH+]c[nH]1 ZINC000661091760 411702926 /nfs/dbraw/zinc/70/29/26/411702926.db2.gz DYQPXRFPRUMLKJ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO CCn1nnc(C)c1CN(C)Cc1c[nH]c[nH+]1 ZINC000661091760 411702928 /nfs/dbraw/zinc/70/29/28/411702928.db2.gz DYQPXRFPRUMLKJ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO c1cc(NC[C@@H]2COCCO2)nc(C2CC2)[nH+]1 ZINC000599533790 411703039 /nfs/dbraw/zinc/70/30/39/411703039.db2.gz DAVCEKLKXLLCFK-SNVBAGLBSA-N 1 2 235.287 1.181 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1cnccn1 ZINC000568252515 411735035 /nfs/dbraw/zinc/73/50/35/411735035.db2.gz VTBNFPXEGMHABB-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1([S@](C)=O)CC1 ZINC000580659350 411735256 /nfs/dbraw/zinc/73/52/56/411735256.db2.gz OYTOFUSTNBGLJU-MRXNPFEDSA-N 1 2 239.344 1.416 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1nnc[nH]1 ZINC000583273804 411735912 /nfs/dbraw/zinc/73/59/12/411735912.db2.gz BRLOJKFMWOBEKY-UHFFFAOYSA-N 1 2 218.264 0.866 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCC(=O)N(C)C ZINC000582496451 411736432 /nfs/dbraw/zinc/73/64/32/411736432.db2.gz DTAWTHPVZIGHQS-UHFFFAOYSA-N 1 2 236.319 1.374 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1(C)COC1 ZINC000574849763 411736778 /nfs/dbraw/zinc/73/67/78/411736778.db2.gz VSXIQAAAKJVMNN-UHFFFAOYSA-N 1 2 207.277 1.542 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCO[C@@H]1C ZINC000571656450 411737800 /nfs/dbraw/zinc/73/78/00/411737800.db2.gz BYBUQPTVLCDJKF-BXKDBHETSA-N 1 2 237.303 1.045 20 0 BCADLO CC[C@H](O)CCCNc1cc(CO)cc[nH+]1 ZINC000641392767 411753284 /nfs/dbraw/zinc/75/32/84/411753284.db2.gz GKKQFVUVZBNINU-NSHDSACASA-N 1 2 224.304 1.537 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)NC2(CCC2)C1=O ZINC000663962462 411792722 /nfs/dbraw/zinc/79/27/22/411792722.db2.gz JUVNKESBPDQOAC-UHFFFAOYSA-N 1 2 248.286 0.437 20 0 BCADLO CCc1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n[nH]1 ZINC000375421265 411765475 /nfs/dbraw/zinc/76/54/75/411765475.db2.gz FLMFRCZRRIJKNJ-SSDOTTSWSA-N 1 2 244.245 0.908 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2COC2)[nH+]1 ZINC000528226058 411766764 /nfs/dbraw/zinc/76/67/64/411766764.db2.gz MZAVLQOIUCFZTO-UHFFFAOYSA-N 1 2 223.280 0.304 20 0 BCADLO Cc1nc(NCC2COC2)nc(N(C)C)[nH+]1 ZINC000528226058 411766767 /nfs/dbraw/zinc/76/67/67/411766767.db2.gz MZAVLQOIUCFZTO-UHFFFAOYSA-N 1 2 223.280 0.304 20 0 BCADLO CC(C)(O)CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397774 411767333 /nfs/dbraw/zinc/76/73/33/411767333.db2.gz FIFIDKLGDOOVSU-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397774 411767335 /nfs/dbraw/zinc/76/73/35/411767335.db2.gz FIFIDKLGDOOVSU-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@@H]2C(F)F)[nH+]1 ZINC000343837981 411767552 /nfs/dbraw/zinc/76/75/52/411767552.db2.gz GGWLWIAKCLBFBZ-NKWVEPMBSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000343837981 411767557 /nfs/dbraw/zinc/76/75/57/411767557.db2.gz GGWLWIAKCLBFBZ-NKWVEPMBSA-N 1 2 243.261 1.312 20 0 BCADLO CCc1cc(NCCNC(=O)C(C)C)nc[nH+]1 ZINC000393066664 411767602 /nfs/dbraw/zinc/76/76/02/411767602.db2.gz TVNCGPOOZHTVOB-UHFFFAOYSA-N 1 2 236.319 1.223 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC000645391065 411768811 /nfs/dbraw/zinc/76/88/11/411768811.db2.gz BNDZOZCLZFRBDL-APPZFPTMSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000645391065 411768814 /nfs/dbraw/zinc/76/88/14/411768814.db2.gz BNDZOZCLZFRBDL-APPZFPTMSA-N 1 2 237.307 0.835 20 0 BCADLO CCc1cc(NCCCc2c[nH][nH]c2=O)nc[nH+]1 ZINC000631360628 411768824 /nfs/dbraw/zinc/76/88/24/411768824.db2.gz FWQBNXKBTGIXMQ-VIFPVBQESA-N 1 2 247.302 0.963 20 0 BCADLO CCc1cc(NCCCc2ncnn2C)nc[nH+]1 ZINC000641644731 411769225 /nfs/dbraw/zinc/76/92/25/411769225.db2.gz IAKQWXCEOSSJPH-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BCADLO CCc1cc(NC[C@@](C)(O)C(=O)OC)nc[nH+]1 ZINC000613332091 411769245 /nfs/dbraw/zinc/76/92/45/411769245.db2.gz PKVBQACPXQJNCQ-LLVKDONJSA-N 1 2 239.275 0.375 20 0 BCADLO CCc1cc(NCCNc2ncccn2)nc[nH+]1 ZINC000592456244 411769663 /nfs/dbraw/zinc/76/96/63/411769663.db2.gz SCUJKYDQRFYBLO-UHFFFAOYSA-N 1 2 244.302 1.353 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2C(F)F)[nH+]1 ZINC000343837982 411769712 /nfs/dbraw/zinc/76/97/12/411769712.db2.gz GGWLWIAKCLBFBZ-RNFRBKRXSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000343837982 411769715 /nfs/dbraw/zinc/76/97/15/411769715.db2.gz GGWLWIAKCLBFBZ-RNFRBKRXSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H](F)C2)[nH+]1 ZINC000340870587 411769919 /nfs/dbraw/zinc/76/99/19/411769919.db2.gz GHSAUVOQSSKGFX-DTWKUNHWSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@@H]2CC[C@H](F)C2)nc(N(C)C)[nH+]1 ZINC000340870587 411769921 /nfs/dbraw/zinc/76/99/21/411769921.db2.gz GHSAUVOQSSKGFX-DTWKUNHWSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(NCc2c[nH+]c3ccccn23)nn1C ZINC000644612385 411775852 /nfs/dbraw/zinc/77/58/52/411775852.db2.gz INTRAVRCHNVRHY-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2cc[nH]n2)[nH+]1 ZINC000635442788 411781461 /nfs/dbraw/zinc/78/14/61/411781461.db2.gz CERSHIJRMJKURY-UHFFFAOYSA-N 1 2 219.248 0.876 20 0 BCADLO Cc1nc(NC[C@@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000425268608 411785116 /nfs/dbraw/zinc/78/51/16/411785116.db2.gz QJQGYVJLKGOAAM-SNVBAGLBSA-N 1 2 234.303 1.065 20 0 BCADLO COC[C@@H]([NH2+]Cc1c[nH]nn1)C1CCOCC1 ZINC000661160268 411724915 /nfs/dbraw/zinc/72/49/15/411724915.db2.gz WQMZFYRHRKOWLC-LLVKDONJSA-N 1 2 240.307 0.336 20 0 BCADLO COC[C@@H]([NH2+]Cc1cn[nH]n1)C1CCOCC1 ZINC000661160268 411724919 /nfs/dbraw/zinc/72/49/19/411724919.db2.gz WQMZFYRHRKOWLC-LLVKDONJSA-N 1 2 240.307 0.336 20 0 BCADLO CCOC(=O)C[N@H+](CC)Cc1ccnc(N)c1 ZINC000562702455 411863901 /nfs/dbraw/zinc/86/39/01/411863901.db2.gz HDNCOKBTVYKDLU-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO CCOC(=O)C[N@@H+](CC)Cc1ccnc(N)c1 ZINC000562702455 411863904 /nfs/dbraw/zinc/86/39/04/411863904.db2.gz HDNCOKBTVYKDLU-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO C[C@@H]1C[NH+](CCc2c[nH]nn2)C[C@@H](C)C1=O ZINC000661537534 411797907 /nfs/dbraw/zinc/79/79/07/411797907.db2.gz CHBIUIDTMDZAHF-RKDXNWHRSA-N 1 2 222.292 0.504 20 0 BCADLO C[C@@H]1C[NH+](CCc2cn[nH]n2)C[C@@H](C)C1=O ZINC000661537534 411797911 /nfs/dbraw/zinc/79/79/11/411797911.db2.gz CHBIUIDTMDZAHF-RKDXNWHRSA-N 1 2 222.292 0.504 20 0 BCADLO Cn1c[nH+]cc1CCn1ccsc1=O ZINC000663982045 411799294 /nfs/dbraw/zinc/79/92/94/411799294.db2.gz NOXUQRNYORPZTR-UHFFFAOYSA-N 1 2 209.274 0.886 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)o1 ZINC000342015451 411800605 /nfs/dbraw/zinc/80/06/05/411800605.db2.gz VOBMTDNGHWQJSY-IUCAKERBSA-N 1 2 240.307 0.899 20 0 BCADLO C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661553844 411800889 /nfs/dbraw/zinc/80/08/89/411800889.db2.gz MKPYEJPHMLEWSY-BBBLOLIVSA-N 1 2 226.320 0.620 20 0 BCADLO C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661553845 411800942 /nfs/dbraw/zinc/80/09/42/411800942.db2.gz MKPYEJPHMLEWSY-OPRDCNLKSA-N 1 2 226.320 0.620 20 0 BCADLO Cc1nnc(NCc2c[nH+]cn2C)nc1C ZINC000381569776 411802362 /nfs/dbraw/zinc/80/23/62/411802362.db2.gz WQEGPOSPKMBCNC-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO C[N@@H+](Cc1cscn1)C[C@H]1COCCO1 ZINC000661607907 411814856 /nfs/dbraw/zinc/81/48/56/411814856.db2.gz TUZLFFIHBQZWCF-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO C[N@H+](Cc1cscn1)C[C@H]1COCCO1 ZINC000661607907 411814858 /nfs/dbraw/zinc/81/48/58/411814858.db2.gz TUZLFFIHBQZWCF-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO COc1cc[nH+]cc1CSc1nc(N)n[nH]1 ZINC000336665637 411865675 /nfs/dbraw/zinc/86/56/75/411865675.db2.gz PPFOLAGOUZQLTK-UHFFFAOYSA-N 1 2 237.288 1.083 20 0 BCADLO CNC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000664018299 411815995 /nfs/dbraw/zinc/81/59/95/411815995.db2.gz STTWHKXQQZXXLI-UHFFFAOYSA-N 1 2 249.318 0.683 20 0 BCADLO Cc1cc(N2CCO[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664021262 411816903 /nfs/dbraw/zinc/81/69/03/411816903.db2.gz ZCYADAWRMIOEHB-UWVGGRQHSA-N 1 2 223.276 0.371 20 0 BCADLO Cn1ccc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000661613600 411817886 /nfs/dbraw/zinc/81/78/86/411817886.db2.gz ZJMJZCRXGMXTCL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO Cn1ccc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000661613600 411817890 /nfs/dbraw/zinc/81/78/90/411817890.db2.gz ZJMJZCRXGMXTCL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO COc1cc(C[N@H+](C)C[C@@H]2COCCO2)on1 ZINC000661615288 411819157 /nfs/dbraw/zinc/81/91/57/411819157.db2.gz YRTPGKYQYUCDSG-SNVBAGLBSA-N 1 2 242.275 0.530 20 0 BCADLO COc1cc(C[N@@H+](C)C[C@@H]2COCCO2)on1 ZINC000661615288 411819160 /nfs/dbraw/zinc/81/91/60/411819160.db2.gz YRTPGKYQYUCDSG-SNVBAGLBSA-N 1 2 242.275 0.530 20 0 BCADLO C[C@@H](F)CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413290217 411821456 /nfs/dbraw/zinc/82/14/56/411821456.db2.gz BKJOWDFBRVWETF-BDAKNGLRSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@@H](F)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413290217 411821460 /nfs/dbraw/zinc/82/14/60/411821460.db2.gz BKJOWDFBRVWETF-BDAKNGLRSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@@H](Nc1nncs1)[C@@H](C)[NH+]1CCOCC1 ZINC000582341576 411832415 /nfs/dbraw/zinc/83/24/15/411832415.db2.gz WMOGKFHFHWHAQY-RKDXNWHRSA-N 1 2 242.348 1.059 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000635152905 411844530 /nfs/dbraw/zinc/84/45/30/411844530.db2.gz DBXHUCJEOPHOKJ-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000635152905 411844532 /nfs/dbraw/zinc/84/45/32/411844532.db2.gz DBXHUCJEOPHOKJ-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cn1ccc(NCCNc2cc[nH+]cc2F)n1 ZINC000641540653 411844800 /nfs/dbraw/zinc/84/48/00/411844800.db2.gz FQGQOKJKLNVSKZ-UHFFFAOYSA-N 1 2 235.266 0.900 20 0 BCADLO CC(C)(C)c1nc(N[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000651413165 411847279 /nfs/dbraw/zinc/84/72/79/411847279.db2.gz QVLFECWAQPZIQZ-KYZUINATSA-N 1 2 248.330 0.872 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(N)nc1 ZINC000592432924 411849878 /nfs/dbraw/zinc/84/98/78/411849878.db2.gz ZBCSHIGODWDKOS-QMMMGPOBSA-N 1 2 223.276 0.657 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N)nc1 ZINC000592432924 411849883 /nfs/dbraw/zinc/84/98/83/411849883.db2.gz ZBCSHIGODWDKOS-QMMMGPOBSA-N 1 2 223.276 0.657 20 0 BCADLO Cn1c[nH+]cc1Cn1nnc2c1CCCC2 ZINC000664139457 411867665 /nfs/dbraw/zinc/86/76/65/411867665.db2.gz DNTDTNXODVBQPV-UHFFFAOYSA-N 1 2 217.276 0.939 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)CC2 ZINC000661719427 411855074 /nfs/dbraw/zinc/85/50/74/411855074.db2.gz APLFPMUUUOIEJT-WCQYABFASA-N 1 2 248.330 0.645 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)CC2 ZINC000661719427 411855080 /nfs/dbraw/zinc/85/50/80/411855080.db2.gz APLFPMUUUOIEJT-WCQYABFASA-N 1 2 248.330 0.645 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723420 411858840 /nfs/dbraw/zinc/85/88/40/411858840.db2.gz MPSZVEOPHYZMPF-VDDIYKPWSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723420 411858843 /nfs/dbraw/zinc/85/88/43/411858843.db2.gz MPSZVEOPHYZMPF-VDDIYKPWSA-N 1 2 249.318 0.526 20 0 BCADLO CCN1CC[N@H+](Cc2ccnc(N)c2)[C@@H](C)C1=O ZINC000411566390 411859019 /nfs/dbraw/zinc/85/90/19/411859019.db2.gz HAGRTILLIUMNIP-JTQLQIEISA-N 1 2 248.330 0.716 20 0 BCADLO CCN1CC[N@@H+](Cc2ccnc(N)c2)[C@@H](C)C1=O ZINC000411566390 411859024 /nfs/dbraw/zinc/85/90/24/411859024.db2.gz HAGRTILLIUMNIP-JTQLQIEISA-N 1 2 248.330 0.716 20 0 BCADLO CCNC(=O)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000647755803 411861057 /nfs/dbraw/zinc/86/10/57/411861057.db2.gz IIPNGTPECLKCKK-UHFFFAOYSA-N 1 2 236.275 0.519 20 0 BCADLO CC[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000643197203 411885574 /nfs/dbraw/zinc/88/55/74/411885574.db2.gz CKTMJILNSXYGFC-QMMMGPOBSA-N 1 2 232.287 0.817 20 0 BCADLO Cn1cc[nH+]c1CN1CCC(=O)N(C)CC1 ZINC000661805411 411885971 /nfs/dbraw/zinc/88/59/71/411885971.db2.gz IIUAHHZIBXBDEH-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661804749 411887456 /nfs/dbraw/zinc/88/74/56/411887456.db2.gz LSEBOINWVOTITN-MRVPVSSYSA-N 1 2 237.307 0.338 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661804749 411887460 /nfs/dbraw/zinc/88/74/60/411887460.db2.gz LSEBOINWVOTITN-MRVPVSSYSA-N 1 2 237.307 0.338 20 0 BCADLO Cc1noc(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000661806868 411887977 /nfs/dbraw/zinc/88/79/77/411887977.db2.gz OYPCVBGWMULXIW-UHFFFAOYSA-N 1 2 224.264 0.042 20 0 BCADLO Cc1noc(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000661806868 411887982 /nfs/dbraw/zinc/88/79/82/411887982.db2.gz OYPCVBGWMULXIW-UHFFFAOYSA-N 1 2 224.264 0.042 20 0 BCADLO COc1c(C)[nH+]cnc1NC/C=C/CO ZINC000664235258 411890968 /nfs/dbraw/zinc/89/09/68/411890968.db2.gz DGBFBPMNWORSBO-ONEGZZNKSA-N 1 2 209.249 0.754 20 0 BCADLO CCC(=O)N1CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000583868004 411894223 /nfs/dbraw/zinc/89/42/23/411894223.db2.gz BIWFRCDLCTVAIV-UHFFFAOYSA-N 1 2 234.303 0.676 20 0 BCADLO CO[C@@H](CNc1nc(C)[nH+]c(N)n1)C(C)(C)C ZINC000631138411 411897541 /nfs/dbraw/zinc/89/75/41/411897541.db2.gz IKQOCKBICQNZKJ-QMMMGPOBSA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@@H](CNc1nc(N)nc(C)[nH+]1)C(C)(C)C ZINC000631138411 411897543 /nfs/dbraw/zinc/89/75/43/411897543.db2.gz IKQOCKBICQNZKJ-QMMMGPOBSA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631191160 411897941 /nfs/dbraw/zinc/89/79/41/411897941.db2.gz CMBZDZIRQKOELD-BDAKNGLRSA-N 1 2 237.307 0.411 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631191160 411897945 /nfs/dbraw/zinc/89/79/45/411897945.db2.gz CMBZDZIRQKOELD-BDAKNGLRSA-N 1 2 237.307 0.411 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631382787 411898410 /nfs/dbraw/zinc/89/84/10/411898410.db2.gz XRQPTSANYMLIHJ-MUWHJKNJSA-N 1 2 209.253 0.352 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631382787 411898415 /nfs/dbraw/zinc/89/84/15/411898415.db2.gz XRQPTSANYMLIHJ-MUWHJKNJSA-N 1 2 209.253 0.352 20 0 BCADLO CNC(=O)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000556674769 411899648 /nfs/dbraw/zinc/89/96/48/411899648.db2.gz XSOJBNGOHRVJKE-UHFFFAOYSA-N 1 2 245.286 0.394 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)no1 ZINC000661842195 411900142 /nfs/dbraw/zinc/90/01/42/411900142.db2.gz SQDXQBIGBKOLNL-DTWKUNHWSA-N 1 2 223.276 0.771 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+](C)C1CC(O)C1 ZINC000565783388 411902561 /nfs/dbraw/zinc/90/25/61/411902561.db2.gz OFKJBENUCNOGGO-UEJVZZJDSA-N 1 2 222.292 0.575 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)C1CC(O)C1 ZINC000565783388 411902565 /nfs/dbraw/zinc/90/25/65/411902565.db2.gz OFKJBENUCNOGGO-UEJVZZJDSA-N 1 2 222.292 0.575 20 0 BCADLO CCn1cc([C@@H](C)Nc2nc(C)[nH+]c(N)n2)cn1 ZINC000631296046 411904077 /nfs/dbraw/zinc/90/40/77/411904077.db2.gz YXRDCRJTRXVDKM-SSDOTTSWSA-N 1 2 247.306 0.574 20 0 BCADLO CCn1cc([C@@H](C)Nc2nc(N)nc(C)[nH+]2)cn1 ZINC000631296046 411904083 /nfs/dbraw/zinc/90/40/83/411904083.db2.gz YXRDCRJTRXVDKM-SSDOTTSWSA-N 1 2 247.306 0.574 20 0 BCADLO C[C@@H](c1nccc(N)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000625434620 411905132 /nfs/dbraw/zinc/90/51/32/411905132.db2.gz CWCFKFXKYSSJOP-QMMMGPOBSA-N 1 2 244.302 0.901 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nncn2C)C[C@H](C)O1 ZINC000661858804 411905705 /nfs/dbraw/zinc/90/57/05/411905705.db2.gz WTDNDCXNQHXGFM-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nncn2C)C[C@H](C)O1 ZINC000661858804 411905707 /nfs/dbraw/zinc/90/57/07/411905707.db2.gz WTDNDCXNQHXGFM-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C1(CO)CC1 ZINC000664270531 411905800 /nfs/dbraw/zinc/90/58/00/411905800.db2.gz FTTIRYKUYCNNBE-MRVPVSSYSA-N 1 2 247.302 0.936 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nccc(N)n2)CC1 ZINC000567356803 411907250 /nfs/dbraw/zinc/90/72/50/411907250.db2.gz WXHUJMZLSWHUFY-UHFFFAOYSA-N 1 2 236.275 0.244 20 0 BCADLO C[C@H]1C[C@H](NC(=O)c2ncnn2C)c2[nH+]ccn21 ZINC000664274909 411908379 /nfs/dbraw/zinc/90/83/79/411908379.db2.gz FABANUXLTGNLAA-YUMQZZPRSA-N 1 2 246.274 0.447 20 0 BCADLO C[C@@H]1CN(Cc2cc[nH+]c(N)c2)CC[S@@]1=O ZINC000393749459 411908551 /nfs/dbraw/zinc/90/85/51/411908551.db2.gz QAXHJVTYPRFFHX-JDNHERCYSA-N 1 2 239.344 0.617 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662035702 411942696 /nfs/dbraw/zinc/94/26/96/411942696.db2.gz HBZZIVSBOUGCRC-ZJUUUORDSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662035702 411942702 /nfs/dbraw/zinc/94/27/02/411942702.db2.gz HBZZIVSBOUGCRC-ZJUUUORDSA-N 1 2 223.276 0.846 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631332158 411911559 /nfs/dbraw/zinc/91/15/59/411911559.db2.gz ZEJXEJMPRPXHEN-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631332158 411911563 /nfs/dbraw/zinc/91/15/63/411911563.db2.gz ZEJXEJMPRPXHEN-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(NCCc2ccc(F)cc2)nc(N)[nH+]1 ZINC000385013670 411942745 /nfs/dbraw/zinc/94/27/45/411942745.db2.gz XPNLKPQWNXTMQK-UHFFFAOYSA-N 1 2 247.277 0.978 20 0 BCADLO Cc1nc(N)nc(NCCc2ccc(F)cc2)[nH+]1 ZINC000385013670 411942747 /nfs/dbraw/zinc/94/27/47/411942747.db2.gz XPNLKPQWNXTMQK-UHFFFAOYSA-N 1 2 247.277 0.978 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000647517879 411914257 /nfs/dbraw/zinc/91/42/57/411914257.db2.gz QOSLCUHIEQUKJD-NSHDSACASA-N 1 2 248.330 0.764 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000647517879 411914262 /nfs/dbraw/zinc/91/42/62/411914262.db2.gz QOSLCUHIEQUKJD-NSHDSACASA-N 1 2 248.330 0.764 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccoc2)c[nH+]1 ZINC000552020390 411914741 /nfs/dbraw/zinc/91/47/41/411914741.db2.gz UFDLNZQBNSBRAB-UHFFFAOYSA-N 1 2 232.243 0.890 20 0 BCADLO CCC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631185681 411915704 /nfs/dbraw/zinc/91/57/04/411915704.db2.gz GNOUVWDAHCFBMY-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CCC[C@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631185681 411915709 /nfs/dbraw/zinc/91/57/09/411915709.db2.gz GNOUVWDAHCFBMY-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO Cn1nnnc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661954890 411918400 /nfs/dbraw/zinc/91/84/00/411918400.db2.gz QJLYXKKNOWODQD-UHFFFAOYSA-N 1 2 249.318 0.545 20 0 BCADLO Cc1nc(NCCC(C)(C)C)nc(N)[nH+]1 ZINC000379902577 411943016 /nfs/dbraw/zinc/94/30/16/411943016.db2.gz IVTSWVOTFRAGAK-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO Cc1nc(N)nc(NCCC(C)(C)C)[nH+]1 ZINC000379902577 411943020 /nfs/dbraw/zinc/94/30/20/411943020.db2.gz IVTSWVOTFRAGAK-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCC[C@@H]2O)nc(N)[nH+]1 ZINC000631183131 411943029 /nfs/dbraw/zinc/94/30/29/411943029.db2.gz ADFZWRUFEMMKTO-BDAKNGLRSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000631183131 411943034 /nfs/dbraw/zinc/94/30/34/411943034.db2.gz ADFZWRUFEMMKTO-BDAKNGLRSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(NCC2CC=CC2)nc(N)[nH+]1 ZINC000631396403 411943225 /nfs/dbraw/zinc/94/32/25/411943225.db2.gz RKIUPSJNKJZTDL-UHFFFAOYSA-N 1 2 205.265 0.562 20 0 BCADLO Cc1nc(N)nc(NCC2CC=CC2)[nH+]1 ZINC000631396403 411943227 /nfs/dbraw/zinc/94/32/27/411943227.db2.gz RKIUPSJNKJZTDL-UHFFFAOYSA-N 1 2 205.265 0.562 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+](C)CCOCCO ZINC000520248318 411926428 /nfs/dbraw/zinc/92/64/28/411926428.db2.gz YWASFKTUCOSSCD-SECBINFHSA-N 1 2 240.307 0.061 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+](C)CCOCCO ZINC000520248318 411926432 /nfs/dbraw/zinc/92/64/32/411926432.db2.gz YWASFKTUCOSSCD-SECBINFHSA-N 1 2 240.307 0.061 20 0 BCADLO C[C@H](c1nccc(N)n1)N(C)Cc1[nH+]ccn1C ZINC000564734622 411927357 /nfs/dbraw/zinc/92/73/57/411927357.db2.gz GESVLRXCHHGMOJ-SECBINFHSA-N 1 2 246.318 0.985 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000570999055 411933639 /nfs/dbraw/zinc/93/36/39/411933639.db2.gz CSDMSEDYYVNXSI-UHFFFAOYSA-N 1 2 245.286 0.934 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1cncnc1N ZINC000571462131 411935090 /nfs/dbraw/zinc/93/50/90/411935090.db2.gz PLCJWHMKIFADJJ-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000565023814 411936414 /nfs/dbraw/zinc/93/64/14/411936414.db2.gz GSHMLVHFXOGYGL-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO Cc1nc(NCCC[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000401341104 411943598 /nfs/dbraw/zinc/94/35/98/411943598.db2.gz RZDLEZXIHVWMDV-SECBINFHSA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N)nc(NCCC[C@@H]2CCOC2)[nH+]1 ZINC000401341104 411943602 /nfs/dbraw/zinc/94/36/02/411943602.db2.gz RZDLEZXIHVWMDV-SECBINFHSA-N 1 2 237.307 0.413 20 0 BCADLO C[C@@H](O)CCN(C)c1cc(CO)cc[nH+]1 ZINC000219849316 411939000 /nfs/dbraw/zinc/93/90/00/411939000.db2.gz XMZWNWCXMWRBIQ-SECBINFHSA-N 1 2 210.277 0.781 20 0 BCADLO CCOC[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631147085 411869294 /nfs/dbraw/zinc/86/92/94/411869294.db2.gz YZORMRURTYLUPB-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO CCOC[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631147085 411869296 /nfs/dbraw/zinc/86/92/96/411869296.db2.gz YZORMRURTYLUPB-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO COCc1cc(NCc2ccc(N)[nH+]c2)ncn1 ZINC000562543447 411869536 /nfs/dbraw/zinc/86/95/36/411869536.db2.gz UIZJJCNLEUPMGF-UHFFFAOYSA-N 1 2 245.286 0.634 20 0 BCADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H](C)O1 ZINC000631115169 411874565 /nfs/dbraw/zinc/87/45/65/411874565.db2.gz IYPYDNFBNPYSIN-IONNQARKSA-N 1 2 237.307 0.766 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@H](C)O1 ZINC000631115169 411874568 /nfs/dbraw/zinc/87/45/68/411874568.db2.gz IYPYDNFBNPYSIN-IONNQARKSA-N 1 2 237.307 0.766 20 0 BCADLO CS[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000394875663 411875660 /nfs/dbraw/zinc/87/56/60/411875660.db2.gz FSYBDPATSYPAJX-ZETCQYMHSA-N 1 2 225.321 0.704 20 0 BCADLO CS[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000394875663 411875663 /nfs/dbraw/zinc/87/56/63/411875663.db2.gz FSYBDPATSYPAJX-ZETCQYMHSA-N 1 2 225.321 0.704 20 0 BCADLO Cc1cc(N2CC[C@@H](Cn3ccnn3)C2)nc[nH+]1 ZINC000664167314 411877171 /nfs/dbraw/zinc/87/71/71/411877171.db2.gz AJPXKWLXMQEPOO-LLVKDONJSA-N 1 2 244.302 0.903 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117313 411878478 /nfs/dbraw/zinc/87/84/78/411878478.db2.gz LILDQIJCZGGMBA-RDDDGLTNSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117313 411878484 /nfs/dbraw/zinc/87/84/84/411878484.db2.gz LILDQIJCZGGMBA-RDDDGLTNSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637829778 411881626 /nfs/dbraw/zinc/88/16/26/411881626.db2.gz PJKQFEIGLHCLQX-SECBINFHSA-N 1 2 236.275 0.517 20 0 BCADLO CC[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000643197202 411881925 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CCC[N@H+](C)CC(C)(C)NCc1n[nH]c(=O)[nH]1 ZINC000662177988 412018994 /nfs/dbraw/zinc/01/89/94/412018994.db2.gz OKGQGJCMMRYTFR-UHFFFAOYSA-N 1 2 241.339 0.720 20 0 BCADLO CCC[N@@H+](C)CC(C)(C)NCc1n[nH]c(=O)[nH]1 ZINC000662177988 412018997 /nfs/dbraw/zinc/01/89/97/412018997.db2.gz OKGQGJCMMRYTFR-UHFFFAOYSA-N 1 2 241.339 0.720 20 0 BCADLO Cc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)n(C)n1 ZINC000664455124 411962999 /nfs/dbraw/zinc/96/29/99/411962999.db2.gz VNSYVMFYKFGTLM-SSDOTTSWSA-N 1 2 248.290 0.348 20 0 BCADLO Cc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n(C)n1 ZINC000664455125 411963198 /nfs/dbraw/zinc/96/31/98/411963198.db2.gz VNSYVMFYKFGTLM-ZETCQYMHSA-N 1 2 248.290 0.348 20 0 BCADLO Cc1nc(N2CCC[C@@H](CO)[C@H]2C)nc(N)[nH+]1 ZINC000631303294 411963421 /nfs/dbraw/zinc/96/34/21/411963421.db2.gz MYBOLJWQSKLNDZ-APPZFPTMSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H](CO)[C@H]2C)[nH+]1 ZINC000631303294 411963425 /nfs/dbraw/zinc/96/34/25/411963425.db2.gz MYBOLJWQSKLNDZ-APPZFPTMSA-N 1 2 237.307 0.359 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662231915 412031723 /nfs/dbraw/zinc/03/17/23/412031723.db2.gz UEYWVSITKUYRCG-WDEREUQCSA-N 1 2 244.335 0.502 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662231915 412031725 /nfs/dbraw/zinc/03/17/25/412031725.db2.gz UEYWVSITKUYRCG-WDEREUQCSA-N 1 2 244.335 0.502 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000336356491 171019303 /nfs/dbraw/zinc/01/93/03/171019303.db2.gz DKMWPSCYFMSTHF-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](COC)C(=O)OC ZINC000309167520 171045126 /nfs/dbraw/zinc/04/51/26/171045126.db2.gz JTKDNSXCVMFAME-UTLUCORTSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC000281858642 171065615 /nfs/dbraw/zinc/06/56/15/171065615.db2.gz ZNAWEUUIUBWCTP-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CC[C@@H]1C[N@H+](CCOCCO)C[C@H](C)[S@@]1=O ZINC000352877465 171083032 /nfs/dbraw/zinc/08/30/32/171083032.db2.gz QJVLHWHTLLYYHE-USBNGQNGSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOCCO)C[C@H](C)[S@@]1=O ZINC000352877465 171083034 /nfs/dbraw/zinc/08/30/34/171083034.db2.gz QJVLHWHTLLYYHE-USBNGQNGSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@H+](CCOCCO)C[C@H](C)[S@]1=O ZINC000352877466 171085211 /nfs/dbraw/zinc/08/52/11/171085211.db2.gz QJVLHWHTLLYYHE-LYOVBCGYSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOCCO)C[C@H](C)[S@]1=O ZINC000352877466 171085213 /nfs/dbraw/zinc/08/52/13/171085213.db2.gz QJVLHWHTLLYYHE-LYOVBCGYSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337171281 171091355 /nfs/dbraw/zinc/09/13/55/171091355.db2.gz DNWUFAVHLCRXCG-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337171281 171091358 /nfs/dbraw/zinc/09/13/58/171091358.db2.gz DNWUFAVHLCRXCG-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000125508645 171092117 /nfs/dbraw/zinc/09/21/17/171092117.db2.gz WDUFTNUVHHNMGA-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000125508645 171092120 /nfs/dbraw/zinc/09/21/20/171092120.db2.gz WDUFTNUVHHNMGA-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2csnn2)C[C@@H]1O ZINC000306895955 171092467 /nfs/dbraw/zinc/09/24/67/171092467.db2.gz OIOOFEIWINXLEB-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2csnn2)C[C@@H]1O ZINC000306895955 171092469 /nfs/dbraw/zinc/09/24/69/171092469.db2.gz OIOOFEIWINXLEB-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)CCCO1 ZINC000333373423 171096039 /nfs/dbraw/zinc/09/60/39/171096039.db2.gz ZNSLHZWYERIPSF-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)CCCO1 ZINC000333373423 171096041 /nfs/dbraw/zinc/09/60/41/171096041.db2.gz ZNSLHZWYERIPSF-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H]1O ZINC000340575375 171097463 /nfs/dbraw/zinc/09/74/63/171097463.db2.gz SPDLRTWGTIFDHG-NXEZZACHSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1CC1 ZINC000355946887 171112580 /nfs/dbraw/zinc/11/25/80/171112580.db2.gz RCQSSLSVPFKPMX-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1CC1 ZINC000355946887 171112582 /nfs/dbraw/zinc/11/25/82/171112582.db2.gz RCQSSLSVPFKPMX-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000665039549 412064960 /nfs/dbraw/zinc/06/49/60/412064960.db2.gz VWIIKLNMPXVWEP-MNOVXSKESA-N 1 2 238.262 0.246 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1 ZINC000665039549 412064967 /nfs/dbraw/zinc/06/49/67/412064967.db2.gz VWIIKLNMPXVWEP-MNOVXSKESA-N 1 2 238.262 0.246 20 0 BCADLO CC[C@@](C)(O)C[NH+]1CCS(=O)CC1 ZINC000119412772 171178312 /nfs/dbraw/zinc/17/83/12/171178312.db2.gz CUEAFNQCHZDZPH-SECBINFHSA-N 1 2 205.323 0.212 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCCn1cc[nH+]c1 ZINC000280112701 171188787 /nfs/dbraw/zinc/18/87/87/171188787.db2.gz VUBSNEMDJNFQCM-LLVKDONJSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378113666 171248543 /nfs/dbraw/zinc/24/85/43/171248543.db2.gz JMEZPVZDGLYWAQ-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO C[NH+]1CCN(C(=O)C(C)(C)n2cccn2)CC1 ZINC000665059633 412075410 /nfs/dbraw/zinc/07/54/10/412075410.db2.gz ZRDUANQCZDHYMK-UHFFFAOYSA-N 1 2 236.319 0.392 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000122730097 171280200 /nfs/dbraw/zinc/28/02/00/171280200.db2.gz TYOLXFURXQKTDR-VHSXEESVSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@H](C)C[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000122730097 171280201 /nfs/dbraw/zinc/28/02/01/171280201.db2.gz TYOLXFURXQKTDR-VHSXEESVSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000331274602 171324065 /nfs/dbraw/zinc/32/40/65/171324065.db2.gz BNUGSSIHZOLOAZ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000331274602 171324066 /nfs/dbraw/zinc/32/40/66/171324066.db2.gz BNUGSSIHZOLOAZ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330809583 171325522 /nfs/dbraw/zinc/32/55/22/171325522.db2.gz BFIHUVBXYONEED-VHSXEESVSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330809583 171325524 /nfs/dbraw/zinc/32/55/24/171325524.db2.gz BFIHUVBXYONEED-VHSXEESVSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338597005 171334392 /nfs/dbraw/zinc/33/43/92/171334392.db2.gz XAUJEPKJMGJICT-NHCYSSNCSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338597005 171334395 /nfs/dbraw/zinc/33/43/95/171334395.db2.gz XAUJEPKJMGJICT-NHCYSSNCSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338597004 171334908 /nfs/dbraw/zinc/33/49/08/171334908.db2.gz XAUJEPKJMGJICT-JBLDHEPKSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338597004 171334910 /nfs/dbraw/zinc/33/49/10/171334910.db2.gz XAUJEPKJMGJICT-JBLDHEPKSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)OCC(=O)NCCn1cc[nH+]c1 ZINC000157708109 171353532 /nfs/dbraw/zinc/35/35/32/171353532.db2.gz OCBPHROAEABVKZ-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](C)O)C(=O)OC ZINC000336656287 171374586 /nfs/dbraw/zinc/37/45/86/171374586.db2.gz OQWMTZBPPIHBSM-XHNCKOQMSA-N 1 2 203.282 0.545 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000336679556 171374646 /nfs/dbraw/zinc/37/46/46/171374646.db2.gz CRAGCCAZZJVQLO-IVZWLZJFSA-N 1 2 249.376 0.888 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@@](C)(C(F)F)C2)C1=O ZINC000662370687 412127801 /nfs/dbraw/zinc/12/78/01/412127801.db2.gz GXJZPYZFKICMSR-GZMMTYOYSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@@](C)(C(F)F)C2)C1=O ZINC000662370687 412127807 /nfs/dbraw/zinc/12/78/07/412127807.db2.gz GXJZPYZFKICMSR-GZMMTYOYSA-N 1 2 248.273 0.573 20 0 BCADLO CC(=O)N1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000563424409 412151144 /nfs/dbraw/zinc/15/11/44/412151144.db2.gz QMAAQKPPZMLQDO-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(C)n1 ZINC000583152547 412213740 /nfs/dbraw/zinc/21/37/40/412213740.db2.gz XLZYPVIDZUCVAT-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(C)n1 ZINC000583152547 412213745 /nfs/dbraw/zinc/21/37/45/412213745.db2.gz XLZYPVIDZUCVAT-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)cnn1 ZINC000396927428 412213781 /nfs/dbraw/zinc/21/37/81/412213781.db2.gz SCEMLNUZPIIJCI-SECBINFHSA-N 1 2 228.259 1.045 20 0 BCADLO Cn1c[nH+]cc1CNc1ncn(C(C)(C)C)n1 ZINC000546618775 412160997 /nfs/dbraw/zinc/16/09/97/412160997.db2.gz MXTXEZRBLSSXBJ-UHFFFAOYSA-N 1 2 234.307 1.379 20 0 BCADLO C[C@@H]1C[C@H]1c1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000643183368 412162230 /nfs/dbraw/zinc/16/22/30/412162230.db2.gz YBXSZBWOGABUMX-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2cc3c(nn2)CCC3)C1 ZINC000585741338 412255608 /nfs/dbraw/zinc/25/56/08/412255608.db2.gz INJQPIMOBKUBLX-NSHDSACASA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2cc3c(nn2)CCC3)C1 ZINC000585741338 412255610 /nfs/dbraw/zinc/25/56/10/412255610.db2.gz INJQPIMOBKUBLX-NSHDSACASA-N 1 2 248.330 0.708 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1nnc(C(F)F)o1 ZINC000624621203 412255754 /nfs/dbraw/zinc/25/57/54/412255754.db2.gz WUJFLNZNGVZFDA-LURJTMIESA-N 1 2 248.233 0.750 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1nnc(C(F)F)o1 ZINC000624621203 412255756 /nfs/dbraw/zinc/25/57/56/412255756.db2.gz WUJFLNZNGVZFDA-LURJTMIESA-N 1 2 248.233 0.750 20 0 BCADLO N#Cc1cnnc(NCCCn2cc[nH+]c2)c1 ZINC000396939976 412279374 /nfs/dbraw/zinc/27/93/74/412279374.db2.gz YDQWGSYNOAFAKP-UHFFFAOYSA-N 1 2 228.259 1.047 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000531053011 412281825 /nfs/dbraw/zinc/28/18/25/412281825.db2.gz YFKIXPBUUWQOKJ-VIFPVBQESA-N 1 2 238.291 0.296 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000531053011 412281828 /nfs/dbraw/zinc/28/18/28/412281828.db2.gz YFKIXPBUUWQOKJ-VIFPVBQESA-N 1 2 238.291 0.296 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1C ZINC000568191885 412282170 /nfs/dbraw/zinc/28/21/70/412282170.db2.gz VXTYYARZYFXRPF-JTQLQIEISA-N 1 2 236.319 1.305 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000665276206 412219773 /nfs/dbraw/zinc/21/97/73/412219773.db2.gz CLIINESAEGAABZ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000665276206 412219777 /nfs/dbraw/zinc/21/97/77/412219777.db2.gz CLIINESAEGAABZ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Fc1cnc(NCCNc2cccc[nH+]2)nc1 ZINC000446979729 412222951 /nfs/dbraw/zinc/22/29/51/412222951.db2.gz DWDGYCWKZYTQJX-UHFFFAOYSA-N 1 2 233.250 1.535 20 0 BCADLO C[C@H](O)CCCNc1cc(CO)cc[nH+]1 ZINC000641542813 412249709 /nfs/dbraw/zinc/24/97/09/412249709.db2.gz LVEOKIJVJKZDIT-VIFPVBQESA-N 1 2 210.277 1.147 20 0 BCADLO CC(C)c1nc(N[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000450927623 412324148 /nfs/dbraw/zinc/32/41/48/412324148.db2.gz PRGFJLLTASKMMS-KYZUINATSA-N 1 2 207.277 1.535 20 0 BCADLO CC(C)n1c[nH+]cc1CNc1ccn(CCO)n1 ZINC000575051763 412328794 /nfs/dbraw/zinc/32/87/94/412328794.db2.gz CKCMQXZFWDBKHC-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC/C=C\CO)c1 ZINC000596423705 412331469 /nfs/dbraw/zinc/33/14/69/412331469.db2.gz OLKMYDBBVAOERZ-IHWYPQMZSA-N 1 2 236.271 0.758 20 0 BCADLO COC(=O)[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000579494648 412336838 /nfs/dbraw/zinc/33/68/38/412336838.db2.gz VMWHBGZVOCMRGI-VIFPVBQESA-N 1 2 239.275 0.693 20 0 BCADLO COC(=O)c1cc(NCc2[nH+]ccn2C)ncn1 ZINC000603288970 412340226 /nfs/dbraw/zinc/34/02/26/412340226.db2.gz VLOBUYLAOVNFFG-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cc1cc(NC(=O)C[NH+]2C3CCC2CC3)no1 ZINC000648211813 412345074 /nfs/dbraw/zinc/34/50/74/412345074.db2.gz HZBDILFWBRXYEL-UHFFFAOYSA-N 1 2 235.287 1.548 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373581262 412357591 /nfs/dbraw/zinc/35/75/91/412357591.db2.gz JZMGFMDKUIQZKY-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)no1 ZINC000554484375 412359386 /nfs/dbraw/zinc/35/93/86/412359386.db2.gz BMICRTDNULEOTP-UHFFFAOYSA-N 1 2 220.232 0.898 20 0 BCADLO Cc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)nn1C ZINC000639865493 412361575 /nfs/dbraw/zinc/36/15/75/412361575.db2.gz LKVLRCBYOVDJPL-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BCADLO CNc1nc(N(C)C[C@@H](C)O)[nH+]c2ccccc21 ZINC000450540383 412304376 /nfs/dbraw/zinc/30/43/76/412304376.db2.gz PEVZUXJTPWSUPW-SECBINFHSA-N 1 2 246.314 1.489 20 0 BCADLO CCc1cc(N2CC(=O)N(CC)C2)nc(C)[nH+]1 ZINC000302767626 171761428 /nfs/dbraw/zinc/76/14/28/171761428.db2.gz ZZYTXXKXINSFED-UHFFFAOYSA-N 1 2 234.303 0.973 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C(C)C)o1 ZINC000050103621 172047903 /nfs/dbraw/zinc/04/79/03/172047903.db2.gz XAJQIJLDDBVHGV-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C(C)C)o1 ZINC000050103621 172047905 /nfs/dbraw/zinc/04/79/05/172047905.db2.gz XAJQIJLDDBVHGV-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000340217383 172076120 /nfs/dbraw/zinc/07/61/20/172076120.db2.gz BTLJUKFIGGOATP-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO CCc1noc(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000340217383 172076123 /nfs/dbraw/zinc/07/61/23/172076123.db2.gz BTLJUKFIGGOATP-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO CCc1noc(C[NH+]2CCC(O)CC2)n1 ZINC000052396096 172085382 /nfs/dbraw/zinc/08/53/82/172085382.db2.gz LIRLRHFKOSQPBD-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc([C@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000286251413 172091096 /nfs/dbraw/zinc/09/10/96/172091096.db2.gz AQIICXZNMRVMRR-ZETCQYMHSA-N 1 2 226.280 0.500 20 0 BCADLO CCc1noc([C@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000286251413 172091099 /nfs/dbraw/zinc/09/10/99/172091099.db2.gz AQIICXZNMRVMRR-ZETCQYMHSA-N 1 2 226.280 0.500 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000339605959 172095040 /nfs/dbraw/zinc/09/50/40/172095040.db2.gz NJKVBHDLPUYBRN-LLVKDONJSA-N 1 2 237.303 0.900 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000339605959 172095042 /nfs/dbraw/zinc/09/50/42/172095042.db2.gz NJKVBHDLPUYBRN-LLVKDONJSA-N 1 2 237.303 0.900 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372302883 172139133 /nfs/dbraw/zinc/13/91/33/172139133.db2.gz UXSIACAGZDJHLZ-SNVBAGLBSA-N 1 2 236.319 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372302883 172139136 /nfs/dbraw/zinc/13/91/36/172139136.db2.gz UXSIACAGZDJHLZ-SNVBAGLBSA-N 1 2 236.319 0.563 20 0 BCADLO CCn1c(C)nnc1C[NH2+][C@@](C)(CC)C(N)=O ZINC000358619999 172139480 /nfs/dbraw/zinc/13/94/80/172139480.db2.gz JJWDUXHOUGWPGU-NSHDSACASA-N 1 2 239.323 0.350 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000195010784 172139562 /nfs/dbraw/zinc/13/95/62/172139562.db2.gz QYRXUCIBYFKIBT-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000195010784 172139565 /nfs/dbraw/zinc/13/95/65/172139565.db2.gz QYRXUCIBYFKIBT-SNVBAGLBSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372302882 172139942 /nfs/dbraw/zinc/13/99/42/172139942.db2.gz UXSIACAGZDJHLZ-JTQLQIEISA-N 1 2 236.319 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372302882 172139945 /nfs/dbraw/zinc/13/99/45/172139945.db2.gz UXSIACAGZDJHLZ-JTQLQIEISA-N 1 2 236.319 0.563 20 0 BCADLO CCn1cc(CC[N@H+]2CC(=O)N[C@@H](C)C2)cn1 ZINC000296330823 172159065 /nfs/dbraw/zinc/15/90/65/172159065.db2.gz UUFISHODQXUXLZ-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)cn1 ZINC000296330823 172159067 /nfs/dbraw/zinc/15/90/67/172159067.db2.gz UUFISHODQXUXLZ-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000336686258 172162327 /nfs/dbraw/zinc/16/23/27/172162327.db2.gz VZOWOTPVEAJXOJ-SNVBAGLBSA-N 1 2 222.292 0.223 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000336686258 172162330 /nfs/dbraw/zinc/16/23/30/172162330.db2.gz VZOWOTPVEAJXOJ-SNVBAGLBSA-N 1 2 222.292 0.223 20 0 BCADLO CCn1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000162006991 172162401 /nfs/dbraw/zinc/16/24/01/172162401.db2.gz HQBQISZVHYURER-NSHDSACASA-N 1 2 236.319 0.743 20 0 BCADLO CCn1cc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000162006991 172162403 /nfs/dbraw/zinc/16/24/03/172162403.db2.gz HQBQISZVHYURER-NSHDSACASA-N 1 2 236.319 0.743 20 0 BCADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2nnnn2C)cn1 ZINC000331094317 172197876 /nfs/dbraw/zinc/19/78/76/172197876.db2.gz ZBECFKJPAHPOQL-DTWKUNHWSA-N 1 2 249.322 0.838 20 0 BCADLO CCn1ccnc1C[N@H+](C)CCOCCO ZINC000300990129 172217233 /nfs/dbraw/zinc/21/72/33/172217233.db2.gz FPDSZRJPDRERAA-UHFFFAOYSA-N 1 2 227.308 0.344 20 0 BCADLO CCn1ccnc1C[N@@H+](C)CCOCCO ZINC000300990129 172217236 /nfs/dbraw/zinc/21/72/36/172217236.db2.gz FPDSZRJPDRERAA-UHFFFAOYSA-N 1 2 227.308 0.344 20 0 BCADLO CCn1ccnc1C[N@H+](C)CC(C)(CO)CO ZINC000336709442 172217746 /nfs/dbraw/zinc/21/77/46/172217746.db2.gz JUVUWZAQOPYJFN-UHFFFAOYSA-N 1 2 241.335 0.326 20 0 BCADLO CCn1ccnc1C[N@@H+](C)CC(C)(CO)CO ZINC000336709442 172217748 /nfs/dbraw/zinc/21/77/48/172217748.db2.gz JUVUWZAQOPYJFN-UHFFFAOYSA-N 1 2 241.335 0.326 20 0 BCADLO CCn1cc[nH+]c1CN1CCNC(=O)C[C@@H]1C ZINC000375830792 172220360 /nfs/dbraw/zinc/22/03/60/172220360.db2.gz PSTBKUQDFYCXLP-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000375830792 172220362 /nfs/dbraw/zinc/22/03/62/172220362.db2.gz PSTBKUQDFYCXLP-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000375830792 172220364 /nfs/dbraw/zinc/22/03/64/172220364.db2.gz PSTBKUQDFYCXLP-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000336699771 172221618 /nfs/dbraw/zinc/22/16/18/172221618.db2.gz YMWKDPFUTSRPOL-PHIMTYICSA-N 1 2 239.319 0.749 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000336699771 172221619 /nfs/dbraw/zinc/22/16/19/172221619.db2.gz YMWKDPFUTSRPOL-PHIMTYICSA-N 1 2 239.319 0.749 20 0 BCADLO CCn1ncc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000293368023 172252613 /nfs/dbraw/zinc/25/26/13/172252613.db2.gz VEBWJDMVLBHHKT-UHFFFAOYSA-N 1 2 249.318 0.218 20 0 BCADLO CCn1nccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180481099 172266061 /nfs/dbraw/zinc/26/60/61/172266061.db2.gz PCOWWEHOTNNYQZ-LLVKDONJSA-N 1 2 249.318 0.112 20 0 BCADLO CCn1nccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180481099 172266064 /nfs/dbraw/zinc/26/60/64/172266064.db2.gz PCOWWEHOTNNYQZ-LLVKDONJSA-N 1 2 249.318 0.112 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@H](COC)C1 ZINC000179802242 172266570 /nfs/dbraw/zinc/26/65/70/172266570.db2.gz YDWYTUVBCJERKF-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@H](COC)C1 ZINC000179802242 172266573 /nfs/dbraw/zinc/26/65/73/172266573.db2.gz YDWYTUVBCJERKF-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000355188808 172268879 /nfs/dbraw/zinc/26/88/79/172268879.db2.gz WJWSJAYOPUQJHI-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000355188808 172268882 /nfs/dbraw/zinc/26/88/82/172268882.db2.gz WJWSJAYOPUQJHI-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291981267 172278435 /nfs/dbraw/zinc/27/84/35/172278435.db2.gz WGNLUIAVXYGJFR-LLVKDONJSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291981267 172278437 /nfs/dbraw/zinc/27/84/37/172278437.db2.gz WGNLUIAVXYGJFR-LLVKDONJSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000248724919 172278542 /nfs/dbraw/zinc/27/85/42/172278542.db2.gz HSTLTJSQGQEYSW-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000248724919 172278545 /nfs/dbraw/zinc/27/85/45/172278545.db2.gz HSTLTJSQGQEYSW-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000193449991 172279210 /nfs/dbraw/zinc/27/92/10/172279210.db2.gz HSTLTJSQGQEYSW-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000193449991 172279212 /nfs/dbraw/zinc/27/92/12/172279212.db2.gz HSTLTJSQGQEYSW-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1nncc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000293546508 172290189 /nfs/dbraw/zinc/29/01/89/172290189.db2.gz QSQUWULIAMNLOD-SECBINFHSA-N 1 2 248.290 0.313 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000284145453 172294130 /nfs/dbraw/zinc/29/41/30/172294130.db2.gz WGJVEQIDIVCCMG-PBKGFPTLSA-N 1 2 221.260 0.670 20 0 BCADLO CN(C(=O)C[N@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000131458694 172308905 /nfs/dbraw/zinc/30/89/05/172308905.db2.gz UKPWXKJZEMXTKB-UHFFFAOYSA-N 1 2 241.335 0.193 20 0 BCADLO CN(C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000131458694 172308908 /nfs/dbraw/zinc/30/89/08/172308908.db2.gz UKPWXKJZEMXTKB-UHFFFAOYSA-N 1 2 241.335 0.193 20 0 BCADLO CN(C(=O)CO)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781258 172311172 /nfs/dbraw/zinc/31/11/72/172311172.db2.gz XVEQCWUAAHRVEE-LBPRGKRZSA-N 1 2 245.282 0.950 20 0 BCADLO CN(C(=O)[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000088372123 172334962 /nfs/dbraw/zinc/33/49/62/172334962.db2.gz KDCUTLSIOHNLEJ-LLVKDONJSA-N 1 2 238.262 0.777 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000336630161 172381420 /nfs/dbraw/zinc/38/14/20/172381420.db2.gz HWMBDVFZZXAHCE-MRVPVSSYSA-N 1 2 228.296 0.257 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000336630161 172381423 /nfs/dbraw/zinc/38/14/23/172381423.db2.gz HWMBDVFZZXAHCE-MRVPVSSYSA-N 1 2 228.296 0.257 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000295114587 172382859 /nfs/dbraw/zinc/38/28/59/172382859.db2.gz MCNJZLWXDAFCOR-SNVBAGLBSA-N 1 2 238.291 0.682 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000295114587 172382862 /nfs/dbraw/zinc/38/28/62/172382862.db2.gz MCNJZLWXDAFCOR-SNVBAGLBSA-N 1 2 238.291 0.682 20 0 BCADLO C[NH+]1CCN(C(=O)CSCC2CC2)CC1 ZINC000359160778 173067641 /nfs/dbraw/zinc/06/76/41/173067641.db2.gz SLHKITCNCWKJSP-UHFFFAOYSA-N 1 2 228.361 0.904 20 0 BCADLO CN(C)c1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000131307579 173071744 /nfs/dbraw/zinc/07/17/44/173071744.db2.gz SZWSZZKDZKIKKF-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000084738979 173071790 /nfs/dbraw/zinc/07/17/90/173071790.db2.gz MZXSLIHIEYRMCB-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO CN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000084738979 173071793 /nfs/dbraw/zinc/07/17/93/173071793.db2.gz MZXSLIHIEYRMCB-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000128590428 173072010 /nfs/dbraw/zinc/07/20/10/173072010.db2.gz DDYQEVYLVIRXGA-UHFFFAOYSA-N 1 2 238.262 0.919 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000035128098 173072423 /nfs/dbraw/zinc/07/24/23/173072423.db2.gz BKQAPXMMLSWOEV-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO Cn1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000129993536 173089444 /nfs/dbraw/zinc/08/94/44/173089444.db2.gz FNLOVQWWJDASDP-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO Cn1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000129993536 173089445 /nfs/dbraw/zinc/08/94/45/173089445.db2.gz FNLOVQWWJDASDP-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)c2ccoc2)CC1 ZINC000285054146 173093579 /nfs/dbraw/zinc/09/35/79/173093579.db2.gz HTJBZRNJDAJIHI-UHFFFAOYSA-N 1 2 230.289 0.216 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ncccn2)C1 ZINC000082643953 173102642 /nfs/dbraw/zinc/10/26/42/173102642.db2.gz XKUCEFFQTGISBL-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ncccn2)C1 ZINC000082643953 173102643 /nfs/dbraw/zinc/10/26/43/173102643.db2.gz XKUCEFFQTGISBL-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCCO2)C1 ZINC000130285394 173102937 /nfs/dbraw/zinc/10/29/37/173102937.db2.gz WXHYQXAVIKQMIY-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCCO2)C1 ZINC000130285394 173102938 /nfs/dbraw/zinc/10/29/38/173102938.db2.gz WXHYQXAVIKQMIY-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000284812316 173103676 /nfs/dbraw/zinc/10/36/76/173103676.db2.gz XDKGQATVVGAWRW-NWDGAFQWSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000284812316 173103678 /nfs/dbraw/zinc/10/36/78/173103678.db2.gz XDKGQATVVGAWRW-NWDGAFQWSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC23CCC3)C1 ZINC000336411845 173103800 /nfs/dbraw/zinc/10/38/00/173103800.db2.gz FDZUORVICRBXDS-JTQLQIEISA-N 1 2 224.304 0.472 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC23CCC3)C1 ZINC000336411845 173103801 /nfs/dbraw/zinc/10/38/01/173103801.db2.gz FDZUORVICRBXDS-JTQLQIEISA-N 1 2 224.304 0.472 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000121394711 173106585 /nfs/dbraw/zinc/10/65/85/173106585.db2.gz KIIBGJGMUZTXLF-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000121394711 173106582 /nfs/dbraw/zinc/10/65/82/173106582.db2.gz KIIBGJGMUZTXLF-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000187615702 173107740 /nfs/dbraw/zinc/10/77/40/173107740.db2.gz SRSVSDCMJJIPLJ-ZYOFXKKJSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000187615702 173107741 /nfs/dbraw/zinc/10/77/41/173107741.db2.gz SRSVSDCMJJIPLJ-ZYOFXKKJSA-N 1 2 249.314 0.475 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccc(F)cn2)C1=O ZINC000276433909 173120237 /nfs/dbraw/zinc/12/02/37/173120237.db2.gz ZCDCNQYPJRWCPZ-LLVKDONJSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(F)cn2)C1=O ZINC000276433909 173120239 /nfs/dbraw/zinc/12/02/39/173120239.db2.gz ZCDCNQYPJRWCPZ-LLVKDONJSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000265647254 173148141 /nfs/dbraw/zinc/14/81/41/173148141.db2.gz MIAXNLGZSZWZJM-NSHDSACASA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000265647254 173148143 /nfs/dbraw/zinc/14/81/43/173148143.db2.gz MIAXNLGZSZWZJM-NSHDSACASA-N 1 2 219.288 0.744 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cncc(F)c2)C1=O ZINC000275128235 173148934 /nfs/dbraw/zinc/14/89/34/173148934.db2.gz LCXGINGUFFLRMD-NSHDSACASA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cncc(F)c2)C1=O ZINC000275128235 173148936 /nfs/dbraw/zinc/14/89/36/173148936.db2.gz LCXGINGUFFLRMD-NSHDSACASA-N 1 2 237.278 0.883 20 0 BCADLO CN1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CC1=O ZINC000278799469 173188054 /nfs/dbraw/zinc/18/80/54/173188054.db2.gz QYWATKZSCBRRAG-YFKPBYRVSA-N 1 2 241.682 0.355 20 0 BCADLO CN1C[C@@H](Nc2[nH+]cnc(N)c2Cl)CC1=O ZINC000278799469 173188056 /nfs/dbraw/zinc/18/80/56/173188056.db2.gz QYWATKZSCBRRAG-YFKPBYRVSA-N 1 2 241.682 0.355 20 0 BCADLO CN1C[C@@H]2C[N@H+](C/C=C/Cl)CCN2C1=O ZINC000370085139 173188294 /nfs/dbraw/zinc/18/82/94/173188294.db2.gz SDHTVEYHBUAWDB-GKQMSVHHSA-N 1 2 229.711 0.791 20 0 BCADLO CN1C[C@@H]2C[N@@H+](C/C=C/Cl)CCN2C1=O ZINC000370085139 173188295 /nfs/dbraw/zinc/18/82/95/173188295.db2.gz SDHTVEYHBUAWDB-GKQMSVHHSA-N 1 2 229.711 0.791 20 0 BCADLO CN1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000264893493 173196040 /nfs/dbraw/zinc/19/60/40/173196040.db2.gz UFQXJNJDVJQUOM-SECBINFHSA-N 1 2 232.287 0.997 20 0 BCADLO CNC(=O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000285274566 173216316 /nfs/dbraw/zinc/21/63/16/173216316.db2.gz PWFYGGYHBYJSSF-UHFFFAOYSA-N 1 2 246.270 0.005 20 0 BCADLO CNC(=O)C1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000184110998 173227337 /nfs/dbraw/zinc/22/73/37/173227337.db2.gz KTOLZDSWACYOQQ-UHFFFAOYSA-N 1 2 246.314 0.845 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1csnn1 ZINC000353970205 173238223 /nfs/dbraw/zinc/23/82/23/173238223.db2.gz DJJRXERIRALHFY-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1csnn1 ZINC000353970205 173238224 /nfs/dbraw/zinc/23/82/24/173238224.db2.gz DJJRXERIRALHFY-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO CNC(=O)CCC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000289385472 173240025 /nfs/dbraw/zinc/24/00/25/173240025.db2.gz QDUJBTWQBCEHBX-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CNC(=O)CCC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000289385472 173240026 /nfs/dbraw/zinc/24/00/26/173240026.db2.gz QDUJBTWQBCEHBX-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CNC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106872622 173252179 /nfs/dbraw/zinc/25/21/79/173252179.db2.gz PTDJINIYZCBDJO-UHFFFAOYSA-N 1 2 206.236 0.852 20 0 BCADLO CNC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106872622 173252181 /nfs/dbraw/zinc/25/21/81/173252181.db2.gz PTDJINIYZCBDJO-UHFFFAOYSA-N 1 2 206.236 0.852 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369302934 173275434 /nfs/dbraw/zinc/27/54/34/173275434.db2.gz MPRLJUXIQLBNFL-NHCYSSNCSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369302934 173275435 /nfs/dbraw/zinc/27/54/35/173275435.db2.gz MPRLJUXIQLBNFL-NHCYSSNCSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)CNC(=O)Nc1cc[nH+]cc1C ZINC000179841185 173276298 /nfs/dbraw/zinc/27/62/98/173276298.db2.gz QNTFYFMGYKUUCG-UHFFFAOYSA-N 1 2 222.248 0.258 20 0 BCADLO CNC(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000293258485 173278391 /nfs/dbraw/zinc/27/83/91/173278391.db2.gz RUBYJIXOADYVLQ-MRVPVSSYSA-N 1 2 212.249 0.303 20 0 BCADLO CNC(=O)C[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336648013 173280335 /nfs/dbraw/zinc/28/03/35/173280335.db2.gz GCUYIDMHXCAUKU-ZCFIWIBFSA-N 1 2 206.236 0.898 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000275991107 173285633 /nfs/dbraw/zinc/28/56/33/173285633.db2.gz GFHUJHPVLQOIBS-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO CNC(=O)NCC(=O)Nc1ccc(C)[nH+]c1C ZINC000270539763 173290050 /nfs/dbraw/zinc/29/00/50/173290050.db2.gz WUVZJKWTBNHFMI-UHFFFAOYSA-N 1 2 236.275 0.566 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000334989409 173292382 /nfs/dbraw/zinc/29/23/82/173292382.db2.gz MNMRTWUKFYHCOD-QMMMGPOBSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000334989409 173292383 /nfs/dbraw/zinc/29/23/83/173292383.db2.gz MNMRTWUKFYHCOD-QMMMGPOBSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1csnn1 ZINC000330595636 173294407 /nfs/dbraw/zinc/29/44/07/173294407.db2.gz CAUDZJFJHDJTPG-ZETCQYMHSA-N 1 2 228.321 0.352 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1csnn1 ZINC000330595636 173294408 /nfs/dbraw/zinc/29/44/08/173294408.db2.gz CAUDZJFJHDJTPG-ZETCQYMHSA-N 1 2 228.321 0.352 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1ncc(C)cn1)C(C)C ZINC000341875050 173296622 /nfs/dbraw/zinc/29/66/22/173296622.db2.gz LRTOQGURMROZPJ-NSHDSACASA-N 1 2 236.319 0.645 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1ncccn1)C(C)C ZINC000336753608 173296970 /nfs/dbraw/zinc/29/69/70/173296970.db2.gz FDLZNGOXEYPSCY-JTQLQIEISA-N 1 2 222.292 0.337 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000170928550 173299038 /nfs/dbraw/zinc/29/90/38/173299038.db2.gz WMNHUJRWCVCLEQ-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000170928550 173299039 /nfs/dbraw/zinc/29/90/39/173299039.db2.gz WMNHUJRWCVCLEQ-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nonc1C ZINC000265149676 173299123 /nfs/dbraw/zinc/29/91/23/173299123.db2.gz SMDMVFIOINJUBT-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nonc1C ZINC000265149676 173299124 /nfs/dbraw/zinc/29/91/24/173299124.db2.gz SMDMVFIOINJUBT-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000184051947 173299708 /nfs/dbraw/zinc/29/97/08/173299708.db2.gz CMKWJTVZDYHNRK-SGJFDWMWSA-N 1 2 218.684 0.186 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000184051947 173299709 /nfs/dbraw/zinc/29/97/09/173299709.db2.gz CMKWJTVZDYHNRK-SGJFDWMWSA-N 1 2 218.684 0.186 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000332696385 173300760 /nfs/dbraw/zinc/30/07/60/173300760.db2.gz WHSOBPPTFQZBEW-JTQLQIEISA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000332696385 173300761 /nfs/dbraw/zinc/30/07/61/173300761.db2.gz WHSOBPPTFQZBEW-JTQLQIEISA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000330665242 173301370 /nfs/dbraw/zinc/30/13/70/173301370.db2.gz WMHLHNOIERGGRV-SSDOTTSWSA-N 1 2 242.348 0.660 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000330665242 173301371 /nfs/dbraw/zinc/30/13/71/173301371.db2.gz WMHLHNOIERGGRV-SSDOTTSWSA-N 1 2 242.348 0.660 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000294670319 173302437 /nfs/dbraw/zinc/30/24/37/173302437.db2.gz OSFQUXYKVDPVAH-QMMMGPOBSA-N 1 2 246.270 0.199 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000292370421 173304107 /nfs/dbraw/zinc/30/41/07/173304107.db2.gz RWFYGXRFOSYQRL-ZETCQYMHSA-N 1 2 220.276 0.900 20 0 BCADLO CNC(=O)[C@H]1CCCCN1Cc1[nH+]ccn1C ZINC000104668588 173306199 /nfs/dbraw/zinc/30/61/99/173306199.db2.gz MXRQIRQYAFEJIR-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000270848617 173306275 /nfs/dbraw/zinc/30/62/75/173306275.db2.gz XKJZLPTZJFHMGK-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000270848617 173306276 /nfs/dbraw/zinc/30/62/76/173306276.db2.gz XKJZLPTZJFHMGK-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000248419659 173308035 /nfs/dbraw/zinc/30/80/35/173308035.db2.gz LDWACFGPUHDERC-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000248419659 173308036 /nfs/dbraw/zinc/30/80/36/173308036.db2.gz LDWACFGPUHDERC-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000407947804 487627009 /nfs/dbraw/zinc/62/70/09/487627009.db2.gz BZQYIDPTOAKDIG-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000407947804 487627013 /nfs/dbraw/zinc/62/70/13/487627013.db2.gz BZQYIDPTOAKDIG-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC2CCC2)CCOC1 ZINC000308971492 173761154 /nfs/dbraw/zinc/76/11/54/173761154.db2.gz ZUYPUWVHMJJNOJ-LLVKDONJSA-N 1 2 213.277 0.708 20 0 BCADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCOC1 ZINC000082427093 173793105 /nfs/dbraw/zinc/79/31/05/173793105.db2.gz OHYYLCRVBNVSLN-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1ncc(C)cn1)C1CC1 ZINC000358833891 173804058 /nfs/dbraw/zinc/80/40/58/173804058.db2.gz NYXDRFVLZPSGFQ-GFCCVEGCSA-N 1 2 249.314 0.869 20 0 BCADLO COC(=O)[C@H]([NH2+]CCCn1ccnc1)C1CC1 ZINC000276495172 173804069 /nfs/dbraw/zinc/80/40/69/173804069.db2.gz WIFFNQDBSVCGKS-LLVKDONJSA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000264154260 173810882 /nfs/dbraw/zinc/81/08/82/173810882.db2.gz XAQIENPJUZQOSX-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000264154260 173810883 /nfs/dbraw/zinc/81/08/83/173810883.db2.gz XAQIENPJUZQOSX-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO COC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337935905 174036402 /nfs/dbraw/zinc/03/64/02/174036402.db2.gz IGPMFIXHXIFARX-UHFFFAOYSA-N 1 2 219.248 0.198 20 0 BCADLO COCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053377189 174042268 /nfs/dbraw/zinc/04/22/68/174042268.db2.gz CPRXHBPKIONMRA-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO COCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374333091 174044407 /nfs/dbraw/zinc/04/44/07/174044407.db2.gz UAMWKDVDUWDODM-VIFPVBQESA-N 1 2 223.276 0.382 20 0 BCADLO COCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374682709 174045751 /nfs/dbraw/zinc/04/57/51/174045751.db2.gz LKABLOLKSNNBGD-UHFFFAOYSA-N 1 2 209.249 0.180 20 0 BCADLO COCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263888924 174052112 /nfs/dbraw/zinc/05/21/12/174052112.db2.gz ZGJGXMITSNUMRD-UHFFFAOYSA-N 1 2 223.276 0.482 20 0 BCADLO COCC1(C[NH+]2CCS(=O)CC2)CCC1 ZINC000361300206 174097904 /nfs/dbraw/zinc/09/79/04/174097904.db2.gz QUBLQLWMXWXHDO-UHFFFAOYSA-N 1 2 231.361 0.867 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(C)o2)C1 ZINC000297319404 174112982 /nfs/dbraw/zinc/11/29/82/174112982.db2.gz 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/nfs/dbraw/zinc/37/06/21/175370621.db2.gz MRVZXRVSXLNTNS-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ccnn1C ZINC000294390289 175371966 /nfs/dbraw/zinc/37/19/66/175371966.db2.gz DHCJPDMLPBGVGN-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1ncn(C)n1 ZINC000290344815 175373940 /nfs/dbraw/zinc/37/39/40/175373940.db2.gz KTKXNRGDIFTAEN-UHFFFAOYSA-N 1 2 248.242 0.576 20 0 BCADLO COc1cc[nH+]cc1Cn1cnn(C)c1=O ZINC000288616744 175374232 /nfs/dbraw/zinc/37/42/32/175374232.db2.gz NZEPOJCYSVEKFD-UHFFFAOYSA-N 1 2 220.232 0.034 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CS(C)(=O)=O ZINC000299459537 175375773 /nfs/dbraw/zinc/37/57/73/175375773.db2.gz CBCVCEJYMWDQPY-UHFFFAOYSA-N 1 2 244.272 0.073 20 0 BCADLO COc1cnc(C(=O)NCc2c[nH+]cn2C)nc1 ZINC000356507187 175381335 /nfs/dbraw/zinc/38/13/35/175381335.db2.gz AQRFREUDSJIBAR-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cncc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000359481162 175383433 /nfs/dbraw/zinc/38/34/33/175383433.db2.gz KDMIJTSATXTXOK-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1cncc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000359481162 175383436 /nfs/dbraw/zinc/38/34/36/175383436.db2.gz KDMIJTSATXTXOK-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1cncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000290165591 175384758 /nfs/dbraw/zinc/38/47/58/175384758.db2.gz DLVGFYTZQFAFKY-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cncc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000290165591 175384759 /nfs/dbraw/zinc/38/47/59/175384759.db2.gz DLVGFYTZQFAFKY-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1csnn1 ZINC000312860005 487630684 /nfs/dbraw/zinc/63/06/84/487630684.db2.gz QHHCQTGTYFKFSG-UHFFFAOYSA-N 1 2 228.321 0.542 20 0 BCADLO C[C@@H](CF)NC(=O)NCc1[nH+]ccn1C ZINC000287214147 175690946 /nfs/dbraw/zinc/69/09/46/175690946.db2.gz AEMHKTRRAPBSCW-ZETCQYMHSA-N 1 2 214.244 0.577 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000276512782 175940436 /nfs/dbraw/zinc/94/04/36/175940436.db2.gz KVJMEAROAPMKGQ-MXWKQRLJSA-N 1 2 237.303 0.673 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248617600 176037163 /nfs/dbraw/zinc/03/71/63/176037163.db2.gz KXYZGULRMFCZHA-UWVGGRQHSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248617600 176037165 /nfs/dbraw/zinc/03/71/65/176037165.db2.gz KXYZGULRMFCZHA-UWVGGRQHSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@@H](c1nccs1)N1CC[NH+](CCO)CC1 ZINC000184607955 176038903 /nfs/dbraw/zinc/03/89/03/176038903.db2.gz ZBWHWGZSKSPXBG-JTQLQIEISA-N 1 2 241.360 0.814 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291833798 176040249 /nfs/dbraw/zinc/04/02/49/176040249.db2.gz OHKCZLJXRXDIQW-VHSXEESVSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291833798 176040251 /nfs/dbraw/zinc/04/02/51/176040251.db2.gz OHKCZLJXRXDIQW-VHSXEESVSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000336525824 176042370 /nfs/dbraw/zinc/04/23/70/176042370.db2.gz CKGYHGXFGSMLSF-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1ccnn1C ZINC000338567370 176043916 /nfs/dbraw/zinc/04/39/16/176043916.db2.gz MXYMKGNXLVADAC-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1ccnn1C ZINC000338567370 176043918 /nfs/dbraw/zinc/04/39/18/176043918.db2.gz MXYMKGNXLVADAC-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1[nH+]c2ccccc2n1C ZINC000271590324 176047515 /nfs/dbraw/zinc/04/75/15/176047515.db2.gz GHCIHVWMBPOPGX-SECBINFHSA-N 1 2 244.298 0.898 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000361323888 176177395 /nfs/dbraw/zinc/17/73/95/176177395.db2.gz FPTNMOVQOVTUGP-SECBINFHSA-N 1 2 243.332 0.419 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000361323888 176177397 /nfs/dbraw/zinc/17/73/97/176177397.db2.gz FPTNMOVQOVTUGP-SECBINFHSA-N 1 2 243.332 0.419 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)C[C@@H]1O ZINC000306303525 176178495 /nfs/dbraw/zinc/17/84/95/176178495.db2.gz FXZNWSSYBFBLAI-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1O ZINC000306303525 176178496 /nfs/dbraw/zinc/17/84/96/176178496.db2.gz FXZNWSSYBFBLAI-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cscn1 ZINC000193565033 176184063 /nfs/dbraw/zinc/18/40/63/176184063.db2.gz CBJAWSRJPFCIEJ-VXNVDRBHSA-N 1 2 225.317 0.757 20 0 BCADLO C[C@@H]1CCOCCN1c1[nH+]cnc2c1cnn2C ZINC000302004957 176189395 /nfs/dbraw/zinc/18/93/95/176189395.db2.gz UCEAZBITVQQMLH-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CO ZINC000276858031 176246327 /nfs/dbraw/zinc/24/63/27/176246327.db2.gz QGYJTIJEDHTLBW-MNOVXSKESA-N 1 2 237.303 0.360 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(N)=O ZINC000330590207 176249641 /nfs/dbraw/zinc/24/96/41/176249641.db2.gz PRLBCNGLYFBJAK-RKDXNWHRSA-N 1 2 236.275 0.513 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)C[C@@H](C)[NH+]1C ZINC000358729515 176265357 /nfs/dbraw/zinc/26/53/57/176265357.db2.gz YTMCRDCJJIGVJI-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H](C(N)=O)O1 ZINC000268309175 176280334 /nfs/dbraw/zinc/28/03/34/176280334.db2.gz AXJQYFVLTGOQIH-TZIBCRCASA-N 1 2 218.684 0.314 20 0 BCADLO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H](C(N)=O)O1 ZINC000268309175 176280335 /nfs/dbraw/zinc/28/03/35/176280335.db2.gz AXJQYFVLTGOQIH-TZIBCRCASA-N 1 2 218.684 0.314 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)Cc2ccccc2O1 ZINC000292457787 176284359 /nfs/dbraw/zinc/28/43/59/176284359.db2.gz QCHWSJRUGNBBJG-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)Cc2ccccc2O1 ZINC000292457787 176284361 /nfs/dbraw/zinc/28/43/61/176284361.db2.gz QCHWSJRUGNBBJG-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO C[C@@H]1CN(CC[N@H+](C)Cc2cc[nH]n2)CCO1 ZINC000337240086 176290720 /nfs/dbraw/zinc/29/07/20/176290720.db2.gz DYGKIDKCPCTACH-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc[nH]n2)CCO1 ZINC000337240086 176290721 /nfs/dbraw/zinc/29/07/21/176290721.db2.gz DYGKIDKCPCTACH-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC000369407313 176292772 /nfs/dbraw/zinc/29/27/72/176292772.db2.gz GIYKRMYIDZZBCU-MWLCHTKSSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC000369407313 176292773 /nfs/dbraw/zinc/29/27/73/176292773.db2.gz GIYKRMYIDZZBCU-MWLCHTKSSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cccnc2)CC(=O)N1 ZINC000296222033 176293808 /nfs/dbraw/zinc/29/38/08/176293808.db2.gz NXWRRIYJBOOBLQ-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cccnc2)CC(=O)N1 ZINC000296222033 176293809 /nfs/dbraw/zinc/29/38/09/176293809.db2.gz NXWRRIYJBOOBLQ-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccncc2)CC(=O)N1C ZINC000282219715 176294347 /nfs/dbraw/zinc/29/43/47/176294347.db2.gz OVRBBMALFPABAK-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccncc2)CC(=O)N1C ZINC000282219715 176294348 /nfs/dbraw/zinc/29/43/48/176294348.db2.gz OVRBBMALFPABAK-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@]2(CCOC2)O1 ZINC000280389044 176303387 /nfs/dbraw/zinc/30/33/87/176303387.db2.gz WUXPNKQPCACNRX-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@]2(CCOC2)O1 ZINC000280389044 176303389 /nfs/dbraw/zinc/30/33/89/176303389.db2.gz WUXPNKQPCACNRX-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@]2(CCOC2)O1 ZINC000280284598 176310925 /nfs/dbraw/zinc/31/09/25/176310925.db2.gz NSAQMESZNIXFHK-YPMHNXCESA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@]2(CCOC2)O1 ZINC000280284598 176310926 /nfs/dbraw/zinc/31/09/26/176310926.db2.gz NSAQMESZNIXFHK-YPMHNXCESA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C)S1=O ZINC000336462155 176311161 /nfs/dbraw/zinc/31/11/61/176311161.db2.gz DHQLMMWADZEUEB-NXEZZACHSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1C ZINC000292913898 176311523 /nfs/dbraw/zinc/31/15/23/176311523.db2.gz FONUQPHOEQFGRX-HTQZYQBOSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1C ZINC000292913898 176311525 /nfs/dbraw/zinc/31/15/25/176311525.db2.gz FONUQPHOEQFGRX-HTQZYQBOSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC(=O)N1C ZINC000282013544 176312106 /nfs/dbraw/zinc/31/21/06/176312106.db2.gz DRQZCPXIULAMFW-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC[S@]1=O ZINC000353803302 176312753 /nfs/dbraw/zinc/31/27/53/176312753.db2.gz JWASYOJCVBFFIG-RFAUZJTJSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2)CC[S@@]1=O ZINC000307751616 176315803 /nfs/dbraw/zinc/31/58/03/176315803.db2.gz OQXWGXNPRPOPDO-KKFJDGPESA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2)CC[S@@]1=O ZINC000307751616 176315804 /nfs/dbraw/zinc/31/58/04/176315804.db2.gz OQXWGXNPRPOPDO-KKFJDGPESA-N 1 2 203.307 0.228 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366587118 176316734 /nfs/dbraw/zinc/31/67/34/176316734.db2.gz IHZWKUVUJMXCPT-FOGDFJRCSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366587118 176316735 /nfs/dbraw/zinc/31/67/35/176316735.db2.gz IHZWKUVUJMXCPT-FOGDFJRCSA-N 1 2 242.319 0.130 20 0 BCADLO CC(C)(CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000673018024 487633387 /nfs/dbraw/zinc/63/33/87/487633387.db2.gz MZYQMPPYJWVBMT-UHFFFAOYSA-N 1 2 225.292 0.477 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2ncnn2C)C1 ZINC000374331704 176332471 /nfs/dbraw/zinc/33/24/71/176332471.db2.gz LQZRVMNCHZAONK-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2ncnn2C)C1 ZINC000374331704 176332472 /nfs/dbraw/zinc/33/24/72/176332472.db2.gz LQZRVMNCHZAONK-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1C ZINC000264159746 176333904 /nfs/dbraw/zinc/33/39/04/176333904.db2.gz KTJJYGWVOKAGBM-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCc1c[nH+]cn1C ZINC000339164379 176334058 /nfs/dbraw/zinc/33/40/58/176334058.db2.gz RDFWWDAUIFGZIQ-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000337180575 176335464 /nfs/dbraw/zinc/33/54/64/176335464.db2.gz MGDUPJTVTMSUTL-UPJWGTAASA-N 1 2 240.347 0.570 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000337180575 176335465 /nfs/dbraw/zinc/33/54/65/176335465.db2.gz MGDUPJTVTMSUTL-UPJWGTAASA-N 1 2 240.347 0.570 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC1 ZINC000356223314 176336855 /nfs/dbraw/zinc/33/68/55/176336855.db2.gz KSKFJHZNEUFVAP-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC1 ZINC000356223314 176336858 /nfs/dbraw/zinc/33/68/58/176336858.db2.gz KSKFJHZNEUFVAP-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341833014 176337899 /nfs/dbraw/zinc/33/78/99/176337899.db2.gz CWBYHRKOFSYVMM-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341833014 176337900 /nfs/dbraw/zinc/33/79/00/176337900.db2.gz CWBYHRKOFSYVMM-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360474626 176339450 /nfs/dbraw/zinc/33/94/50/176339450.db2.gz QKMTTWQNAMYNPB-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CC(N)=O ZINC000371602022 176346961 /nfs/dbraw/zinc/34/69/61/176346961.db2.gz NNGGOXMJQBYELB-ZYHUDNBSSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CC(N)=O ZINC000371602022 176346962 /nfs/dbraw/zinc/34/69/62/176346962.db2.gz NNGGOXMJQBYELB-ZYHUDNBSSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000330168847 176349825 /nfs/dbraw/zinc/34/98/25/176349825.db2.gz CVYPAEKOARZYOI-ZETCQYMHSA-N 1 2 228.321 0.695 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000330168847 176349826 /nfs/dbraw/zinc/34/98/26/176349826.db2.gz CVYPAEKOARZYOI-ZETCQYMHSA-N 1 2 228.321 0.695 20 0 BCADLO C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1[nH+]ccn1C ZINC000338218739 176475160 /nfs/dbraw/zinc/47/51/60/176475160.db2.gz ALVSHNUACHMYPQ-UTEYVOQOSA-N 1 2 228.317 0.846 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H](C)CO ZINC000375421673 176710125 /nfs/dbraw/zinc/71/01/25/176710125.db2.gz KKGWBYFGEPSLFW-PRJMDXOYSA-N 1 2 236.262 0.117 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000330435220 177000856 /nfs/dbraw/zinc/00/08/56/177000856.db2.gz ASDSRNHRRZJLQV-UWVGGRQHSA-N 1 2 239.319 0.628 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000335645130 177009860 /nfs/dbraw/zinc/00/98/60/177009860.db2.gz ACLWPAHEAFKLFL-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000335645130 177009861 /nfs/dbraw/zinc/00/98/61/177009861.db2.gz ACLWPAHEAFKLFL-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnn(C)n1 ZINC000333359164 177010521 /nfs/dbraw/zinc/01/05/21/177010521.db2.gz XCDYKMWSRYNHGD-UTLUCORTSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nnn(C)n1 ZINC000333359164 177010524 /nfs/dbraw/zinc/01/05/24/177010524.db2.gz XCDYKMWSRYNHGD-UTLUCORTSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@H](O)[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235580825 177016089 /nfs/dbraw/zinc/01/60/89/177016089.db2.gz HPVUQLBWSPUUBV-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](O)[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235580825 177016090 /nfs/dbraw/zinc/01/60/90/177016090.db2.gz HPVUQLBWSPUUBV-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](O)c1cn(C2C[NH+](Cc3ccco3)C2)nn1 ZINC000371567003 177017708 /nfs/dbraw/zinc/01/77/08/177017708.db2.gz YIGIPRGCMIETTB-VIFPVBQESA-N 1 2 248.286 0.981 20 0 BCADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NC(N)=O ZINC000069069989 177047736 /nfs/dbraw/zinc/04/77/36/177047736.db2.gz NYRYHNCEIUPOLN-SSDOTTSWSA-N 1 2 225.248 0.467 20 0 BCADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NC(N)=O ZINC000069069989 177047740 /nfs/dbraw/zinc/04/77/40/177047740.db2.gz NYRYHNCEIUPOLN-SSDOTTSWSA-N 1 2 225.248 0.467 20 0 BCADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271750086 177050310 /nfs/dbraw/zinc/05/03/10/177050310.db2.gz YINCKHCARROFSW-MRVPVSSYSA-N 1 2 233.275 0.686 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271750086 177050311 /nfs/dbraw/zinc/05/03/11/177050311.db2.gz YINCKHCARROFSW-MRVPVSSYSA-N 1 2 233.275 0.686 20 0 BCADLO C[C@H](c1cnccn1)[NH+]1CCN(CC(N)=O)CC1 ZINC000330966453 177051147 /nfs/dbraw/zinc/05/11/47/177051147.db2.gz CZHVPMCLKRIXMU-SNVBAGLBSA-N 1 2 249.318 0.690 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341294265 177051361 /nfs/dbraw/zinc/05/13/61/177051361.db2.gz KAWJYLPMVVMIIZ-MNOVXSKESA-N 1 2 246.314 0.844 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341294265 177051362 /nfs/dbraw/zinc/05/13/62/177051362.db2.gz KAWJYLPMVVMIIZ-MNOVXSKESA-N 1 2 246.314 0.844 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338589171 177051983 /nfs/dbraw/zinc/05/19/83/177051983.db2.gz QHODYFOBGRDQBW-KOLCDFICSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338589171 177051981 /nfs/dbraw/zinc/05/19/81/177051981.db2.gz QHODYFOBGRDQBW-KOLCDFICSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@H](c1nccs1)N1CC[NH+](CCO)CC1 ZINC000184607974 177054802 /nfs/dbraw/zinc/05/48/02/177054802.db2.gz ZBWHWGZSKSPXBG-SNVBAGLBSA-N 1 2 241.360 0.814 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291833799 177055663 /nfs/dbraw/zinc/05/56/63/177055663.db2.gz OHKCZLJXRXDIQW-ZJUUUORDSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291833799 177055665 /nfs/dbraw/zinc/05/56/65/177055665.db2.gz OHKCZLJXRXDIQW-ZJUUUORDSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CC1=CCCOC1 ZINC000123513792 177059365 /nfs/dbraw/zinc/05/93/65/177059365.db2.gz YUSBYNRLWGZOOL-VIFPVBQESA-N 1 2 210.277 0.153 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CC1=CCCOC1 ZINC000123513792 177059367 /nfs/dbraw/zinc/05/93/67/177059367.db2.gz YUSBYNRLWGZOOL-VIFPVBQESA-N 1 2 210.277 0.153 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCc1cccnc1 ZINC000172160294 177059573 /nfs/dbraw/zinc/05/95/73/177059573.db2.gz DBRYYGZOIXPBKM-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1cccnc1 ZINC000172160294 177059576 /nfs/dbraw/zinc/05/95/76/177059576.db2.gz DBRYYGZOIXPBKM-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CO ZINC000226335861 177147177 /nfs/dbraw/zinc/14/71/77/177147177.db2.gz QNENWONVKBKXJF-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H]1CCN(Cc2[nH]cc[nH+]2)CCS1(=O)=O ZINC000331599849 177168818 /nfs/dbraw/zinc/16/88/18/177168818.db2.gz BFMXYINGIDIEPD-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO C[C@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000336591804 177196355 /nfs/dbraw/zinc/19/63/55/177196355.db2.gz UGYODXQURFJHIR-GXSJLCMTSA-N 1 2 235.287 0.793 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CN1C ZINC000336377523 177238709 /nfs/dbraw/zinc/23/87/09/177238709.db2.gz NYNSBMTUUJRJHW-ZJUUUORDSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CN1C ZINC000336377523 177238710 /nfs/dbraw/zinc/23/87/10/177238710.db2.gz NYNSBMTUUJRJHW-ZJUUUORDSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000276748054 177210999 /nfs/dbraw/zinc/21/09/99/177210999.db2.gz VQWVKPVJEPNZFC-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335329812 177211731 /nfs/dbraw/zinc/21/17/31/177211731.db2.gz ZPHSBEKFFYBKQW-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000335329810 177212264 /nfs/dbraw/zinc/21/22/64/177212264.db2.gz ZPHSBEKFFYBKQW-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000299690690 177217094 /nfs/dbraw/zinc/21/70/94/177217094.db2.gz WEAAWMDCZYCFJK-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)CC[NH2+]1 ZINC000269221901 177228031 /nfs/dbraw/zinc/22/80/31/177228031.db2.gz RWZFHZPMPKQUCG-VIFPVBQESA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H](C)[N@H+]1C ZINC000122179256 177230776 /nfs/dbraw/zinc/23/07/76/177230776.db2.gz MCWSPPYETNUPJC-AOOOYVTPSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H](C)[N@@H+]1C ZINC000122179256 177230778 /nfs/dbraw/zinc/23/07/78/177230778.db2.gz MCWSPPYETNUPJC-AOOOYVTPSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007112 177231149 /nfs/dbraw/zinc/23/11/49/177231149.db2.gz VFKGEHUVGQTEAN-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007112 177231151 /nfs/dbraw/zinc/23/11/51/177231151.db2.gz VFKGEHUVGQTEAN-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)C[C@H](C)[N@H+]1C ZINC000294107590 177231702 /nfs/dbraw/zinc/23/17/02/177231702.db2.gz YTMCRDCJJIGVJI-OCAPTIKFSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)C[C@H](C)[N@@H+]1C ZINC000294107590 177231704 /nfs/dbraw/zinc/23/17/04/177231704.db2.gz YTMCRDCJJIGVJI-OCAPTIKFSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@H]1C[N@H+](CCN2CC[C@H](F)C2)CCO1 ZINC000336263012 177250458 /nfs/dbraw/zinc/25/04/58/177250458.db2.gz MNPAWAGXDSJBLV-QWRGUYRKSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CC[C@H](F)C2)CCO1 ZINC000336263012 177250459 /nfs/dbraw/zinc/25/04/59/177250459.db2.gz MNPAWAGXDSJBLV-QWRGUYRKSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC000369407311 177253402 /nfs/dbraw/zinc/25/34/02/177253402.db2.gz GIYKRMYIDZZBCU-GXSJLCMTSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC000369407311 177253404 /nfs/dbraw/zinc/25/34/04/177253404.db2.gz GIYKRMYIDZZBCU-GXSJLCMTSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccccn2)CC(=O)N1 ZINC000296133361 177254170 /nfs/dbraw/zinc/25/41/70/177254170.db2.gz IMCFPGFLXCTMKK-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccccn2)CC(=O)N1 ZINC000296133361 177254172 /nfs/dbraw/zinc/25/41/72/177254172.db2.gz IMCFPGFLXCTMKK-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@H+](CC[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296138032 177254828 /nfs/dbraw/zinc/25/48/28/177254828.db2.gz ITABEZRZPNZBMF-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296138032 177254830 /nfs/dbraw/zinc/25/48/30/177254830.db2.gz ITABEZRZPNZBMF-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(C)nc2)C1 ZINC000335475780 487637340 /nfs/dbraw/zinc/63/73/40/487637340.db2.gz VAYGABULHODGPS-UHFFFAOYSA-N 1 2 219.288 0.710 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118228 177257403 /nfs/dbraw/zinc/25/74/03/177257403.db2.gz HNXQFKLTJSPQOJ-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118228 177257404 /nfs/dbraw/zinc/25/74/04/177257404.db2.gz HNXQFKLTJSPQOJ-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@@]2(CCOC2)O1 ZINC000280389037 177262378 /nfs/dbraw/zinc/26/23/78/177262378.db2.gz WUXPNKQPCACNRX-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@]2(CCOC2)O1 ZINC000280389037 177262379 /nfs/dbraw/zinc/26/23/79/177262379.db2.gz WUXPNKQPCACNRX-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC(=O)N1 ZINC000295001951 177263097 /nfs/dbraw/zinc/26/30/97/177263097.db2.gz LKYYLXRYJYBPMZ-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC(=O)N1 ZINC000295001951 177263099 /nfs/dbraw/zinc/26/30/99/177263099.db2.gz LKYYLXRYJYBPMZ-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccn2C)CC(=O)N1 ZINC000294732166 177267039 /nfs/dbraw/zinc/26/70/39/177267039.db2.gz DJHCBTPJDSRZKC-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccn2C)CC(=O)N1 ZINC000294732166 177267040 /nfs/dbraw/zinc/26/70/40/177267040.db2.gz DJHCBTPJDSRZKC-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccco2)CC(=O)N1C ZINC000282691092 177268293 /nfs/dbraw/zinc/26/82/93/177268293.db2.gz IYQCKGBJFOSISQ-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccco2)CC(=O)N1C ZINC000282691092 177268296 /nfs/dbraw/zinc/26/82/96/177268296.db2.gz IYQCKGBJFOSISQ-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)CC(C)(C)O1 ZINC000119498645 177269100 /nfs/dbraw/zinc/26/91/00/177269100.db2.gz AWSZBWZAJBNGIG-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)CC(C)(C)O1 ZINC000119498645 177269102 /nfs/dbraw/zinc/26/91/02/177269102.db2.gz AWSZBWZAJBNGIG-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000351927485 177270435 /nfs/dbraw/zinc/27/04/35/177270435.db2.gz OBPPVGDGCLRNOF-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000351927485 177270436 /nfs/dbraw/zinc/27/04/36/177270436.db2.gz OBPPVGDGCLRNOF-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC000341281234 177271826 /nfs/dbraw/zinc/27/18/26/177271826.db2.gz LZBZVHZWNJZHSL-DTWKUNHWSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC000341281234 177271827 /nfs/dbraw/zinc/27/18/27/177271827.db2.gz LZBZVHZWNJZHSL-DTWKUNHWSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@H]1CN(c2cccc[nH+]2)CCS(=O)(=O)C1 ZINC000277793069 177277135 /nfs/dbraw/zinc/27/71/35/177277135.db2.gz XGZGUCXEVYQUAJ-JTQLQIEISA-N 1 2 240.328 0.953 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000337885511 177279199 /nfs/dbraw/zinc/27/91/99/177279199.db2.gz XPQNQLDFLBPMTF-IONNQARKSA-N 1 2 233.275 0.180 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2ncccn2)C1 ZINC000361861884 177289627 /nfs/dbraw/zinc/28/96/27/177289627.db2.gz IVIUHCPPWGRZBW-SNVBAGLBSA-N 1 2 207.277 0.945 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2ncccn2)C1 ZINC000361861884 177289629 /nfs/dbraw/zinc/28/96/29/177289629.db2.gz IVIUHCPPWGRZBW-SNVBAGLBSA-N 1 2 207.277 0.945 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000332662982 177373292 /nfs/dbraw/zinc/37/32/92/177373292.db2.gz GICVMUWDVZLWPE-YUMQZZPRSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000332662982 177373293 /nfs/dbraw/zinc/37/32/93/177373293.db2.gz GICVMUWDVZLWPE-YUMQZZPRSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nccs1 ZINC000340920785 177373978 /nfs/dbraw/zinc/37/39/78/177373978.db2.gz DVZBIWYRWBBVRH-YUMQZZPRSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nccs1 ZINC000340920785 177373979 /nfs/dbraw/zinc/37/39/79/177373979.db2.gz DVZBIWYRWBBVRH-YUMQZZPRSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H]1[N@H+](Cc2cnnn2C)CCOC1(C)C ZINC000353868511 177392108 /nfs/dbraw/zinc/39/21/08/177392108.db2.gz PJRYXEHPWBSFMS-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1[N@@H+](Cc2cnnn2C)CCOC1(C)C ZINC000353868511 177392110 /nfs/dbraw/zinc/39/21/10/177392110.db2.gz PJRYXEHPWBSFMS-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329636339 177392156 /nfs/dbraw/zinc/39/21/56/177392156.db2.gz YEDZVJSFCXEKPO-RNFRBKRXSA-N 1 2 234.259 0.412 20 0 BCADLO C[C@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329636339 177392158 /nfs/dbraw/zinc/39/21/58/177392158.db2.gz YEDZVJSFCXEKPO-RNFRBKRXSA-N 1 2 234.259 0.412 20 0 BCADLO C[C@H]1OCC[N@H+](CCc2ccccc2)[C@@H]1C(N)=O ZINC000284540257 177398354 /nfs/dbraw/zinc/39/83/54/177398354.db2.gz HDCFAVSIPXJKTK-YPMHNXCESA-N 1 2 248.326 0.804 20 0 BCADLO C[C@H]1OCC[N@@H+](CCc2ccccc2)[C@@H]1C(N)=O ZINC000284540257 177398357 /nfs/dbraw/zinc/39/83/57/177398357.db2.gz HDCFAVSIPXJKTK-YPMHNXCESA-N 1 2 248.326 0.804 20 0 BCADLO C[C@H]1OCCN2[C@@H](c3c[nH+]cn3C)NC(=O)[C@H]12 ZINC000329017703 177399838 /nfs/dbraw/zinc/39/98/38/177399838.db2.gz RFUXZXYIUDFFCZ-JEZHCXPESA-N 1 2 236.275 0.478 20 0 BCADLO COC[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309080440 487641952 /nfs/dbraw/zinc/64/19/52/487641952.db2.gz OWAUOQVBVYPYGQ-IONNQARKSA-N 1 2 213.281 0.376 20 0 BCADLO Cc1ccnc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000471747919 225077316 /nfs/dbraw/zinc/07/73/16/225077316.db2.gz QDNKHEJYEYDJDC-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)CC(C)C)nn1C ZINC000487387562 225303174 /nfs/dbraw/zinc/30/31/74/225303174.db2.gz AMHCFCBVDIDNPV-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)CC(C)C)nn1C ZINC000487387562 225303176 /nfs/dbraw/zinc/30/31/76/225303176.db2.gz AMHCFCBVDIDNPV-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCOCC1 ZINC000335561242 487647772 /nfs/dbraw/zinc/64/77/72/487647772.db2.gz XUJJBEQNCQDFSY-LLVKDONJSA-N 1 2 249.314 0.694 20 0 BCADLO C[N@H+](CCO)Cc1cn(Cc2ccccn2)nn1 ZINC000096256804 487647337 /nfs/dbraw/zinc/64/73/37/487647337.db2.gz ZBWRQEYRDNWGLA-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO C[N@@H+](CCO)Cc1cn(Cc2ccccn2)nn1 ZINC000096256804 487647342 /nfs/dbraw/zinc/64/73/42/487647342.db2.gz ZBWRQEYRDNWGLA-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2n[nH]nc2C1 ZINC000492764853 226049191 /nfs/dbraw/zinc/04/91/91/226049191.db2.gz KUKFAMQAVTYTSR-OWOJBTEDSA-N 1 2 244.258 0.126 20 0 BCADLO C[C@H](O)C[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775195 226050520 /nfs/dbraw/zinc/05/05/20/226050520.db2.gz LCRUFBVYCMFVBK-CMIOBCHKSA-N 1 2 237.303 0.946 20 0 BCADLO COc1n[nH]c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492807135 226056823 /nfs/dbraw/zinc/05/68/23/226056823.db2.gz AVBKEJDFHXWAIS-IHWYPQMZSA-N 1 2 234.219 0.188 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCN(C)C1=O ZINC000492808545 226057614 /nfs/dbraw/zinc/05/76/14/226057614.db2.gz DAKGNSBJNTZANF-UMBAGQNISA-N 1 2 248.286 0.112 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCOC1 ZINC000492816231 226060654 /nfs/dbraw/zinc/06/06/54/226060654.db2.gz ZPCAACICJHFKEE-FSIBCCDJSA-N 1 2 235.287 0.966 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492825304 226061311 /nfs/dbraw/zinc/06/13/11/226061311.db2.gz SBKQPNSTWADMTD-IHWYPQMZSA-N 1 2 217.232 0.795 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC1 ZINC000492825888 226061774 /nfs/dbraw/zinc/06/17/74/226061774.db2.gz TZWSQNIIAURPTB-UPHRSURJSA-N 1 2 207.233 0.282 20 0 BCADLO Cn1cnc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492854789 226067539 /nfs/dbraw/zinc/06/75/39/226067539.db2.gz RJZYKMYHOUDJRN-IHWYPQMZSA-N 1 2 218.220 0.190 20 0 BCADLO Cn1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492856018 226067667 /nfs/dbraw/zinc/06/76/67/226067667.db2.gz BDBLOOFVRCUTAT-NSCUHMNNSA-N 1 2 231.259 0.473 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCNC(=O)C1CC1 ZINC000492859497 226068225 /nfs/dbraw/zinc/06/82/25/226068225.db2.gz NFQRKFKHNPJLRF-ARJAWSKDSA-N 1 2 248.286 0.065 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC[C@@H]1CCOC1 ZINC000492871293 226072031 /nfs/dbraw/zinc/07/20/31/226072031.db2.gz XGEOHIVMYPWVDM-GPYPMJJRSA-N 1 2 237.259 0.507 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C(F)F ZINC000492893506 226076152 /nfs/dbraw/zinc/07/61/52/226076152.db2.gz FZIFCHNXAKQNJT-HIXXPVPXSA-N 1 2 231.202 0.165 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC1CC1 ZINC000492897570 226077616 /nfs/dbraw/zinc/07/76/16/226077616.db2.gz KCRGDDGJLBFOMM-ARJAWSKDSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492896326 226077636 /nfs/dbraw/zinc/07/76/36/226077636.db2.gz IXRRHQKULBXZLY-JDGPPOGSSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492902877 226080102 /nfs/dbraw/zinc/08/01/02/226080102.db2.gz RYSHKAQPZZUYAN-ZYOFXKKJSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](O)CC1 ZINC000493324245 226186962 /nfs/dbraw/zinc/18/69/62/226186962.db2.gz QVSVNFLMYNFERZ-HMDXOVGESA-N 1 2 235.287 0.796 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCCCNC1=O ZINC000493068286 226117524 /nfs/dbraw/zinc/11/75/24/226117524.db2.gz CWVMDZYRQXWRDV-MOVJSRMASA-N 1 2 248.286 0.208 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](O)C2(CC2)C1 ZINC000493086232 226122158 /nfs/dbraw/zinc/12/21/58/226122158.db2.gz QHVYLSLCNYJKJR-TXXBHVLJSA-N 1 2 233.271 0.406 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000493188307 226148738 /nfs/dbraw/zinc/14/87/38/226148738.db2.gz LQLUESWZGXLOAC-QEBMPYFUSA-N 1 2 235.287 0.843 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493197447 226152461 /nfs/dbraw/zinc/15/24/61/226152461.db2.gz YMTSNYNMRSYRLW-KHVQUVQLSA-N 1 2 221.260 0.405 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493240064 226164664 /nfs/dbraw/zinc/16/46/64/226164664.db2.gz NWRHOEJTIQTTPE-FLGDLONPSA-N 1 2 221.260 0.453 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCO)CC(F)F ZINC000493354916 226193593 /nfs/dbraw/zinc/19/35/93/226193593.db2.gz PTYJHVUIGQWPQJ-OWOJBTEDSA-N 1 2 245.229 0.509 20 0 BCADLO C[S@@](=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493357874 226194688 /nfs/dbraw/zinc/19/46/88/226194688.db2.gz SSJFDQVPXCPPKY-QDLOVBKTSA-N 1 2 241.316 0.308 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000493422159 226212303 /nfs/dbraw/zinc/21/23/03/226212303.db2.gz BSWPYVRIBRQIGR-ONEGZZNKSA-N 1 2 246.270 0.214 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000493559307 226243416 /nfs/dbraw/zinc/24/34/16/226243416.db2.gz QFHWNAAKHMGBBG-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCO)C1CCC1 ZINC000493580553 226244362 /nfs/dbraw/zinc/24/43/62/226244362.db2.gz ILKCTVUXHQTSPQ-PLNGDYQASA-N 1 2 235.287 0.796 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493636229 226247177 /nfs/dbraw/zinc/24/71/77/226247177.db2.gz XRGYRGYVKMWXPD-HMDXOVGESA-N 1 2 245.286 0.824 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCO)CC1CC1 ZINC000493660759 226248141 /nfs/dbraw/zinc/24/81/41/226248141.db2.gz VFVHSVPYRYEVAU-ONEGZZNKSA-N 1 2 235.287 0.654 20 0 BCADLO COC[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493704735 226250118 /nfs/dbraw/zinc/25/01/18/226250118.db2.gz HYQVUECFZODRAG-CDAZIORVSA-N 1 2 239.275 0.201 20 0 BCADLO Cc1nc(CNC(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000493728806 226251569 /nfs/dbraw/zinc/25/15/69/226251569.db2.gz SJKNCOFRJIENPM-NSCUHMNNSA-N 1 2 233.231 0.431 20 0 BCADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000493742766 226251946 /nfs/dbraw/zinc/25/19/46/226251946.db2.gz AXXCVMKIFKYROY-AQHVTNBVSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCSCC1 ZINC000493817605 226255627 /nfs/dbraw/zinc/25/56/27/226255627.db2.gz HOKWOOSWTHUQMI-UPHRSURJSA-N 1 2 223.301 0.998 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCCOC1 ZINC000493857073 226257656 /nfs/dbraw/zinc/25/76/56/226257656.db2.gz MNYQJHWVENEOFJ-NWALNABHSA-N 1 2 221.260 0.718 20 0 BCADLO COCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493867526 226258230 /nfs/dbraw/zinc/25/82/30/226258230.db2.gz GLVRIMYSZRGPTO-PLNGDYQASA-N 1 2 223.276 0.964 20 0 BCADLO Cc1nc(N2CCN3C(=O)OCC[C@H]3C2)cc[nH+]1 ZINC000494084972 226260811 /nfs/dbraw/zinc/26/08/11/226260811.db2.gz FPNVKIICWLOVHG-JTQLQIEISA-N 1 2 248.286 0.816 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494221214 226262511 /nfs/dbraw/zinc/26/25/11/226262511.db2.gz WBHYPAUEJPQNRP-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494221214 226262512 /nfs/dbraw/zinc/26/25/12/226262512.db2.gz WBHYPAUEJPQNRP-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCC(N)=O ZINC000494306114 226263578 /nfs/dbraw/zinc/26/35/78/226263578.db2.gz BVLPIOHVRJZQGB-SECBINFHSA-N 1 2 238.291 0.043 20 0 BCADLO OC[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000494983552 226274126 /nfs/dbraw/zinc/27/41/26/226274126.db2.gz BSNDDUWJSYLRMU-AORQRIRUSA-N 1 2 234.299 0.788 20 0 BCADLO OC[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000494983552 226274127 /nfs/dbraw/zinc/27/41/27/226274127.db2.gz BSNDDUWJSYLRMU-AORQRIRUSA-N 1 2 234.299 0.788 20 0 BCADLO Cc1cc(N2CCN3C(=O)OC[C@H]3C2)nc[nH+]1 ZINC000497038765 226320977 /nfs/dbraw/zinc/32/09/77/226320977.db2.gz MLYGQGUSWKJZNO-SECBINFHSA-N 1 2 234.259 0.426 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000505596990 226357247 /nfs/dbraw/zinc/35/72/47/226357247.db2.gz OVHPKZPKQMVZJK-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000505596990 226357248 /nfs/dbraw/zinc/35/72/48/226357248.db2.gz OVHPKZPKQMVZJK-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000505668393 226358551 /nfs/dbraw/zinc/35/85/51/226358551.db2.gz ZIMDDPUGLZXVNY-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000505668393 226358552 /nfs/dbraw/zinc/35/85/52/226358552.db2.gz ZIMDDPUGLZXVNY-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO COC1(CO)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000401905849 226362987 /nfs/dbraw/zinc/36/29/87/226362987.db2.gz HLZIEFYWYUPPPA-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO COc1ccc(F)c(C[N@H+](C)CC(N)=O)c1 ZINC000507132236 226365704 /nfs/dbraw/zinc/36/57/04/226365704.db2.gz KEKVEWWDONUJFH-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COc1ccc(F)c(C[N@@H+](C)CC(N)=O)c1 ZINC000507132236 226365705 /nfs/dbraw/zinc/36/57/05/226365705.db2.gz KEKVEWWDONUJFH-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495725379 226287405 /nfs/dbraw/zinc/28/74/05/226287405.db2.gz FAIDJFPZFVWQIB-BDAKNGLRSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495725379 226287406 /nfs/dbraw/zinc/28/74/06/226287406.db2.gz FAIDJFPZFVWQIB-BDAKNGLRSA-N 1 2 242.275 0.074 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)OCC2CC2)CCO1 ZINC000496074864 226296115 /nfs/dbraw/zinc/29/61/15/226296115.db2.gz ZZMYWJXIIXTOGX-JTQLQIEISA-N 1 2 242.319 0.843 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)OCC2CC2)CCO1 ZINC000496074864 226296116 /nfs/dbraw/zinc/29/61/16/226296116.db2.gz ZZMYWJXIIXTOGX-JTQLQIEISA-N 1 2 242.319 0.843 20 0 BCADLO CC(C)n1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000232798429 487655887 /nfs/dbraw/zinc/65/58/87/487655887.db2.gz UOTVLSGSZDYSQO-GHMZBOCLSA-N 1 2 225.292 0.001 20 0 BCADLO CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557354319 322936580 /nfs/dbraw/zinc/93/65/80/322936580.db2.gz FZPZKDQCMFRLTJ-UHFFFAOYSA-N 1 2 218.216 0.019 20 0 BCADLO CCn1ccc(Cc2noc(C[NH+](C)C)n2)n1 ZINC000351463611 487671327 /nfs/dbraw/zinc/67/13/27/487671327.db2.gz GNWNZBFEHQCOJZ-UHFFFAOYSA-N 1 2 235.291 0.938 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccon1 ZINC000308915144 229259891 /nfs/dbraw/zinc/25/98/91/229259891.db2.gz BBCPXCAYVNICRH-NKWVEPMBSA-N 1 2 211.221 0.434 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)[C@@H](C)O1 ZINC000632169628 487673168 /nfs/dbraw/zinc/67/31/68/487673168.db2.gz ABEDBYUBNKZLDK-IWSPIJDZSA-N 1 2 236.271 0.961 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nccc(C)n2)CC1 ZINC000568889800 322941592 /nfs/dbraw/zinc/94/15/92/322941592.db2.gz WBRAFTBGZWTZIO-UHFFFAOYSA-N 1 2 235.287 0.970 20 0 BCADLO CC1(C)CC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000087729049 487680872 /nfs/dbraw/zinc/68/08/72/487680872.db2.gz RQSXKMOPNNFJIV-UHFFFAOYSA-N 1 2 233.271 0.949 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC12CCC2 ZINC000675284775 487686903 /nfs/dbraw/zinc/68/69/03/487686903.db2.gz LSVFAMUBGJJWCM-LLVKDONJSA-N 1 2 238.331 0.625 20 0 BCADLO CCCn1nccc1C(=O)N1CC[NH+](C)CC1 ZINC000032611541 487690592 /nfs/dbraw/zinc/69/05/92/487690592.db2.gz MJCUPQBOHSSPTM-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1c[nH+]c[nH]1 ZINC000308927765 487693456 /nfs/dbraw/zinc/69/34/56/487693456.db2.gz BAHQRCKJONFBMY-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1c[nH]c[nH+]1 ZINC000308927765 487693465 /nfs/dbraw/zinc/69/34/65/487693465.db2.gz BAHQRCKJONFBMY-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1nc(N(C)C)nc(NCC(F)(F)CO)[nH+]1 ZINC000681012475 487694909 /nfs/dbraw/zinc/69/49/09/487694909.db2.gz KCMFKUWPLAMHLR-UHFFFAOYSA-N 1 2 247.249 0.286 20 0 BCADLO Cc1nc(NCC(F)(F)CO)nc(N(C)C)[nH+]1 ZINC000681012475 487694911 /nfs/dbraw/zinc/69/49/11/487694911.db2.gz KCMFKUWPLAMHLR-UHFFFAOYSA-N 1 2 247.249 0.286 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)c1cnccn1 ZINC000681019896 487696890 /nfs/dbraw/zinc/69/68/90/487696890.db2.gz RNPGAJPTSAFFDP-JTQLQIEISA-N 1 2 236.319 0.948 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)c1cnccn1 ZINC000681019896 487696892 /nfs/dbraw/zinc/69/68/92/487696892.db2.gz RNPGAJPTSAFFDP-JTQLQIEISA-N 1 2 236.319 0.948 20 0 BCADLO O=C(C[NH2+]Cc1ccon1)NCC(F)(F)F ZINC000088053629 487696896 /nfs/dbraw/zinc/69/68/96/487696896.db2.gz MMFIDSORZJEFDC-UHFFFAOYSA-N 1 2 237.181 0.443 20 0 BCADLO C[C@@H](O)C(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000526971023 262800057 /nfs/dbraw/zinc/80/00/57/262800057.db2.gz LPWWKFQIAJMMIL-SECBINFHSA-N 1 2 230.283 0.014 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccon1 ZINC000088054025 487698359 /nfs/dbraw/zinc/69/83/59/487698359.db2.gz QTKKMRJVPOMGEB-QMMMGPOBSA-N 1 2 211.265 0.677 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc(C)n1C ZINC000668275126 490070679 /nfs/dbraw/zinc/07/06/79/490070679.db2.gz SMDKYUZDTKJDHN-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc(C)n1C ZINC000668275126 490070683 /nfs/dbraw/zinc/07/06/83/490070683.db2.gz SMDKYUZDTKJDHN-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC3(CCC3)CC2)nc1=O ZINC000671729120 487711333 /nfs/dbraw/zinc/71/13/33/487711333.db2.gz WTJXMKRPLGXLCZ-UHFFFAOYSA-N 1 2 236.319 0.875 20 0 BCADLO CC(C)(C(=O)Nc1nc[nH]n1)c1c[nH+]c[nH]1 ZINC000683917643 487713966 /nfs/dbraw/zinc/71/39/66/487713966.db2.gz MIFXMPYSHYHJCA-UHFFFAOYSA-N 1 2 220.236 0.444 20 0 BCADLO CC(C)(C(=O)Nc1nc[nH]n1)c1c[nH]c[nH+]1 ZINC000683917643 487713969 /nfs/dbraw/zinc/71/39/69/487713969.db2.gz MIFXMPYSHYHJCA-UHFFFAOYSA-N 1 2 220.236 0.444 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2ccn[nH]2)CCCN1 ZINC000082669183 487716097 /nfs/dbraw/zinc/71/60/97/487716097.db2.gz KKRNOTABCZCQMA-MRVPVSSYSA-N 1 2 208.265 0.168 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2ccn[nH]2)CCCN1 ZINC000082669184 487716109 /nfs/dbraw/zinc/71/61/09/487716109.db2.gz KKRNOTABCZCQMA-QMMMGPOBSA-N 1 2 208.265 0.168 20 0 BCADLO CCN(C[C@H]1CCCO1)c1nc(C)[nH+]c(N)n1 ZINC000383408043 487716634 /nfs/dbraw/zinc/71/66/34/487716634.db2.gz SFRBWASQWSUNRQ-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CCN(C[C@H]1CCCO1)c1nc(N)nc(C)[nH+]1 ZINC000383408043 487716640 /nfs/dbraw/zinc/71/66/40/487716640.db2.gz SFRBWASQWSUNRQ-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@@H]2CCO)nc(N)[nH+]1 ZINC000631219420 487719569 /nfs/dbraw/zinc/71/95/69/487719569.db2.gz KRSRGAGGJQZAFK-RKDXNWHRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H]2CCO)[nH+]1 ZINC000631219420 487719576 /nfs/dbraw/zinc/71/95/76/487719576.db2.gz KRSRGAGGJQZAFK-RKDXNWHRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N[C@@H]2CCCOCC2)nc(N)[nH+]1 ZINC000381623667 487720000 /nfs/dbraw/zinc/72/00/00/487720000.db2.gz JUXZNVYYRIOBBQ-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCOCC2)[nH+]1 ZINC000381623667 487720001 /nfs/dbraw/zinc/72/00/01/487720001.db2.gz JUXZNVYYRIOBBQ-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC(=O)N1C ZINC000668420220 487723635 /nfs/dbraw/zinc/72/36/35/487723635.db2.gz YFABIKFSLRXACZ-JTQLQIEISA-N 1 2 247.298 0.761 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)CCCO ZINC000384599013 487728951 /nfs/dbraw/zinc/72/89/51/487728951.db2.gz QNHBJQNJLOTLKX-MRVPVSSYSA-N 1 2 240.307 0.310 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)CCCO ZINC000384599013 487728955 /nfs/dbraw/zinc/72/89/55/487728955.db2.gz QNHBJQNJLOTLKX-MRVPVSSYSA-N 1 2 240.307 0.310 20 0 BCADLO Cc1nc(N2CC(C)(C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000645292439 487732338 /nfs/dbraw/zinc/73/23/38/487732338.db2.gz WURJAQPORCBBBG-UHFFFAOYSA-N 1 2 234.303 0.713 20 0 BCADLO CN(Cc1c[nH+]cn1C)c1ccn(C)n1 ZINC000284930237 487732649 /nfs/dbraw/zinc/73/26/49/487732649.db2.gz IFJIMQNQKRHYAG-UHFFFAOYSA-N 1 2 205.265 0.790 20 0 BCADLO Cn1cc(CNc2nc[nH+]c3c2OCCN3)cn1 ZINC000665694150 487733063 /nfs/dbraw/zinc/73/30/63/487733063.db2.gz YOAIHIIZHNCKSH-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO Cn1cc(CNc2[nH+]cnc3c2OCCN3)cn1 ZINC000665694150 487733069 /nfs/dbraw/zinc/73/30/69/487733069.db2.gz YOAIHIIZHNCKSH-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO c1nc(N[C@@H]2CCCOC2)c2c([nH+]1)NCCO2 ZINC000665700044 487733674 /nfs/dbraw/zinc/73/36/74/487733674.db2.gz NJGHOTHMYXJBMZ-MRVPVSSYSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc2c(c(N[C@@H]3CCCOC3)[nH+]1)OCCN2 ZINC000665700044 487733679 /nfs/dbraw/zinc/73/36/79/487733679.db2.gz NJGHOTHMYXJBMZ-MRVPVSSYSA-N 1 2 236.275 0.872 20 0 BCADLO CCC[C@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000676733973 487734720 /nfs/dbraw/zinc/73/47/20/487734720.db2.gz DLGAHGYMYVJVKA-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000088590214 487736155 /nfs/dbraw/zinc/73/61/55/487736155.db2.gz ATWPELKPIWNUCO-SECBINFHSA-N 1 2 239.323 0.425 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1ccnc(OC)c1 ZINC000088591803 487736905 /nfs/dbraw/zinc/73/69/05/487736905.db2.gz YRZNXJFPSHSRMT-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CC(C)OCCNc1[nH+]cnc2c1OCCN2 ZINC000665711572 487737450 /nfs/dbraw/zinc/73/74/50/487737450.db2.gz YAFIXIBAEJJXOS-UHFFFAOYSA-N 1 2 238.291 0.230 20 0 BCADLO CC(C)OCCNc1nc[nH+]c2c1OCCN2 ZINC000665711572 487737453 /nfs/dbraw/zinc/73/74/53/487737453.db2.gz YAFIXIBAEJJXOS-UHFFFAOYSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1O ZINC000665709724 487737628 /nfs/dbraw/zinc/73/76/28/487737628.db2.gz DTYUZRSNMLYTHV-JGVFFNPUSA-N 1 2 236.275 0.098 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1O ZINC000665709724 487737634 /nfs/dbraw/zinc/73/76/34/487737634.db2.gz DTYUZRSNMLYTHV-JGVFFNPUSA-N 1 2 236.275 0.098 20 0 BCADLO OC[C@@H]1C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665716519 487738794 /nfs/dbraw/zinc/73/87/94/487738794.db2.gz ONJWZTYVPWNDHG-NKWVEPMBSA-N 1 2 222.248 0.074 20 0 BCADLO OC[C@@H]1C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665716519 487738801 /nfs/dbraw/zinc/73/88/01/487738801.db2.gz ONJWZTYVPWNDHG-NKWVEPMBSA-N 1 2 222.248 0.074 20 0 BCADLO CCN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666177707 487740485 /nfs/dbraw/zinc/74/04/85/487740485.db2.gz CBKDPCOZMYHOQD-QMMMGPOBSA-N 1 2 207.277 0.993 20 0 BCADLO CCN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666177707 487740486 /nfs/dbraw/zinc/74/04/86/487740486.db2.gz CBKDPCOZMYHOQD-QMMMGPOBSA-N 1 2 207.277 0.993 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000675518153 487744043 /nfs/dbraw/zinc/74/40/43/487744043.db2.gz QKQDTHKYBBSKEP-TUAOUCFPSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2COCCO2)s1 ZINC000661609469 487747444 /nfs/dbraw/zinc/74/74/44/487747444.db2.gz AIEHPARGVMXQHC-VIFPVBQESA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2COCCO2)s1 ZINC000661609469 487747447 /nfs/dbraw/zinc/74/74/47/487747447.db2.gz AIEHPARGVMXQHC-VIFPVBQESA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nc(NCC[C@@]2(O)CCCOC2)cc[nH+]1 ZINC000651468236 487748948 /nfs/dbraw/zinc/74/89/48/487748948.db2.gz CEWIBLUJSFNDMC-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2COC)[nH]1 ZINC000681209567 487749171 /nfs/dbraw/zinc/74/91/71/487749171.db2.gz TUHWSSPFTLTUGW-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]2COC)[nH]1 ZINC000681209567 487749175 /nfs/dbraw/zinc/74/91/75/487749175.db2.gz TUHWSSPFTLTUGW-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO O[C@@H]1CCC[C@@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000660922835 487749826 /nfs/dbraw/zinc/74/98/26/487749826.db2.gz IUGJKVBZQYOUNQ-ZYHUDNBSSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCC[C@@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000660922835 487749829 /nfs/dbraw/zinc/74/98/29/487749829.db2.gz IUGJKVBZQYOUNQ-ZYHUDNBSSA-N 1 2 236.319 0.645 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCCO ZINC000675621356 487753753 /nfs/dbraw/zinc/75/37/53/487753753.db2.gz KCHZCSIBCATJGS-UHFFFAOYSA-N 1 2 211.265 0.162 20 0 BCADLO CO[C@@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000666218964 487759161 /nfs/dbraw/zinc/75/91/61/487759161.db2.gz BKDQCXLBGJEIAT-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO CCn1nccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000681271865 487765519 /nfs/dbraw/zinc/76/55/19/487765519.db2.gz RKLCKVLYBRXPRX-UHFFFAOYSA-N 1 2 247.302 0.909 20 0 BCADLO Cc1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(N)n1 ZINC000668448060 487769722 /nfs/dbraw/zinc/76/97/22/487769722.db2.gz JUIAQVVEGRJXAL-UHFFFAOYSA-N 1 2 246.274 0.363 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](O)C1CC1 ZINC000668448739 487771313 /nfs/dbraw/zinc/77/13/13/487771313.db2.gz UMXICQAYJBKXFH-VIFPVBQESA-N 1 2 209.249 0.139 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](O)C1CC1 ZINC000668448738 487771104 /nfs/dbraw/zinc/77/11/04/487771104.db2.gz UMXICQAYJBKXFH-SECBINFHSA-N 1 2 209.249 0.139 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CCS(C)(=O)=O ZINC000839533691 585329178 /nfs/dbraw/zinc/32/91/78/585329178.db2.gz XRWFNCDWIKIWAY-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CCS(C)(=O)=O ZINC000839533691 585329179 /nfs/dbraw/zinc/32/91/79/585329179.db2.gz XRWFNCDWIKIWAY-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649619618 487774487 /nfs/dbraw/zinc/77/44/87/487774487.db2.gz VAIUHGQNWQHBRF-LBPRGKRZSA-N 1 2 237.303 0.022 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649619618 487774493 /nfs/dbraw/zinc/77/44/93/487774493.db2.gz VAIUHGQNWQHBRF-LBPRGKRZSA-N 1 2 237.303 0.022 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000652097629 487778269 /nfs/dbraw/zinc/77/82/69/487778269.db2.gz MVNUMUBOYWTTQE-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](O)C1CCC1 ZINC000493075953 487779220 /nfs/dbraw/zinc/77/92/20/487779220.db2.gz XCHOWMPPBNGOLG-ORAHPGNNSA-N 1 2 235.287 0.700 20 0 BCADLO Cc1nc(N(C)C)nc(NCCC(C)(C)O)[nH+]1 ZINC000681397149 487791333 /nfs/dbraw/zinc/79/13/33/487791333.db2.gz IKXPYRXTKMMQDQ-UHFFFAOYSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(NCCC(C)(C)O)nc(N(C)C)[nH+]1 ZINC000681397149 487791340 /nfs/dbraw/zinc/79/13/40/487791340.db2.gz IKXPYRXTKMMQDQ-UHFFFAOYSA-N 1 2 239.323 0.819 20 0 BCADLO CN1C[C@@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000364972846 487791182 /nfs/dbraw/zinc/79/11/82/487791182.db2.gz OPOAATLMCHQEID-SNVBAGLBSA-N 1 2 232.287 0.638 20 0 BCADLO CO[C@@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000666353198 487791926 /nfs/dbraw/zinc/79/19/26/487791926.db2.gz PFYCEHJVSITZSF-LLVKDONJSA-N 1 2 237.303 0.814 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)NCCn1cc[nH+]c1 ZINC000666353074 487792020 /nfs/dbraw/zinc/79/20/20/487792020.db2.gz LPEGAWMBKHIPFX-GWCFXTLKSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000408129537 487795754 /nfs/dbraw/zinc/79/57/54/487795754.db2.gz AGHRBUZZEJCZSU-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)C(C)(C)O)[nH+]1 ZINC000676078424 487810655 /nfs/dbraw/zinc/81/06/55/487810655.db2.gz OFPBSNINFJLMIH-ZETCQYMHSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@@H](C)C(C)(C)O)nc(N(C)C)[nH+]1 ZINC000676078424 487810657 /nfs/dbraw/zinc/81/06/57/487810657.db2.gz OFPBSNINFJLMIH-ZETCQYMHSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)CCCO)[nH+]1 ZINC000676081725 487812035 /nfs/dbraw/zinc/81/20/35/487812035.db2.gz DOOSHHWVVQVXPR-MRVPVSSYSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(N[C@H](C)CCCO)nc(N(C)C)[nH+]1 ZINC000676081725 487812040 /nfs/dbraw/zinc/81/20/40/487812040.db2.gz DOOSHHWVVQVXPR-MRVPVSSYSA-N 1 2 239.323 0.819 20 0 BCADLO Cn1nccc1[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000649884333 487813039 /nfs/dbraw/zinc/81/30/39/487813039.db2.gz OVKUHRZPBBRJMQ-GFCCVEGCSA-N 1 2 247.302 0.717 20 0 BCADLO Cn1nccc1[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000649884333 487813046 /nfs/dbraw/zinc/81/30/46/487813046.db2.gz OVKUHRZPBBRJMQ-GFCCVEGCSA-N 1 2 247.302 0.717 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681550839 487813460 /nfs/dbraw/zinc/81/34/60/487813460.db2.gz COUSZQIMKBSRHZ-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO Cc1nc(N2CC[C@H](n3cncn3)C2)cc[nH+]1 ZINC000681596803 487819706 /nfs/dbraw/zinc/81/97/06/487819706.db2.gz HUNXKSDWGQESLH-JTQLQIEISA-N 1 2 230.275 0.828 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681601488 487821304 /nfs/dbraw/zinc/82/13/04/487821304.db2.gz MPVWTHKHWIGXAY-VIFPVBQESA-N 1 2 248.290 0.671 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681601488 487821307 /nfs/dbraw/zinc/82/13/07/487821307.db2.gz MPVWTHKHWIGXAY-VIFPVBQESA-N 1 2 248.290 0.671 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681603375 487821410 /nfs/dbraw/zinc/82/14/10/487821410.db2.gz CNEDEBWWAUZFSQ-PSASIEDQSA-N 1 2 248.290 0.978 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681603375 487821413 /nfs/dbraw/zinc/82/14/13/487821413.db2.gz CNEDEBWWAUZFSQ-PSASIEDQSA-N 1 2 248.290 0.978 20 0 BCADLO C[NH+]1CCN(NC(=S)NC2(C)CC2)CC1 ZINC000789156553 585935871 /nfs/dbraw/zinc/93/58/71/585935871.db2.gz BUDLVERVKOLJKN-UHFFFAOYSA-N 1 2 228.365 0.165 20 0 BCADLO CC(C)(CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594116 527056502 /nfs/dbraw/zinc/05/65/02/527056502.db2.gz RIYNMMXKGGMOPK-ONEGZZNKSA-N 1 2 223.276 0.700 20 0 BCADLO Cc1ncc([C@@H](C)[N@H+](C)CC(N)=O)c(C)n1 ZINC000681657805 487832571 /nfs/dbraw/zinc/83/25/71/487832571.db2.gz DKAJYDDWAPUDLM-MRVPVSSYSA-N 1 2 222.292 0.572 20 0 BCADLO Cc1ncc([C@@H](C)[N@@H+](C)CC(N)=O)c(C)n1 ZINC000681657805 487832578 /nfs/dbraw/zinc/83/25/78/487832578.db2.gz DKAJYDDWAPUDLM-MRVPVSSYSA-N 1 2 222.292 0.572 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050470 587350001 /nfs/dbraw/zinc/35/00/01/587350001.db2.gz XMUJVPOIBCSBRL-DTWKUNHWSA-N 1 2 215.297 0.136 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050470 587350002 /nfs/dbraw/zinc/35/00/02/587350002.db2.gz XMUJVPOIBCSBRL-DTWKUNHWSA-N 1 2 215.297 0.136 20 0 BCADLO C[N@H+](CC[S@](C)=O)Cc1cc[nH]n1 ZINC000827919372 587409748 /nfs/dbraw/zinc/40/97/48/587409748.db2.gz HXTTWUSAALHAEF-ZDUSSCGKSA-N 1 2 201.295 0.220 20 0 BCADLO C[N@@H+](CC[S@](C)=O)Cc1cc[nH]n1 ZINC000827919372 587409749 /nfs/dbraw/zinc/40/97/49/587409749.db2.gz HXTTWUSAALHAEF-ZDUSSCGKSA-N 1 2 201.295 0.220 20 0 BCADLO COC(=O)[C@](C)([NH2+]CC[S@](C)=O)C1CC1 ZINC000828121217 587420015 /nfs/dbraw/zinc/42/00/15/587420015.db2.gz ARBZVYHDFQKGQT-BMIGLBTASA-N 1 2 233.333 0.296 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)CCS(=O)(=O)CC ZINC000828505181 587446181 /nfs/dbraw/zinc/44/61/81/587446181.db2.gz HPJAXCUDVDUVKD-SNVBAGLBSA-N 1 2 237.365 0.514 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)CCS(=O)(=O)CC ZINC000828505181 587446182 /nfs/dbraw/zinc/44/61/82/587446182.db2.gz HPJAXCUDVDUVKD-SNVBAGLBSA-N 1 2 237.365 0.514 20 0 BCADLO CCO/C=C\C(=O)NCCc1c[nH+]cn1C ZINC000493195615 528525015 /nfs/dbraw/zinc/52/50/15/528525015.db2.gz VVZBBAPEOUXKBW-ALCCZGGFSA-N 1 2 223.276 0.629 20 0 BCADLO CON1CC[NH+](CCOC(F)F)CC1 ZINC000852143927 588666744 /nfs/dbraw/zinc/66/67/44/588666744.db2.gz IWNFCIKFWFNUGU-UHFFFAOYSA-N 1 2 210.224 0.405 20 0 BCADLO COc1cncc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000676385212 487842627 /nfs/dbraw/zinc/84/26/27/487842627.db2.gz IQAUDTTUUBQWPH-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cncc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000676385212 487842630 /nfs/dbraw/zinc/84/26/30/487842630.db2.gz IQAUDTTUUBQWPH-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO CCC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000852553345 588689739 /nfs/dbraw/zinc/68/97/39/588689739.db2.gz PMYLJARTFFYDAR-UHFFFAOYSA-N 1 2 210.281 0.616 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)[nH]1 ZINC000681709940 487845141 /nfs/dbraw/zinc/84/51/41/487845141.db2.gz MXGDNLJVYGXECH-SFYZADRCSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3CCC[C@@H]32)[nH]1 ZINC000681709940 487845145 /nfs/dbraw/zinc/84/51/45/487845145.db2.gz MXGDNLJVYGXECH-SFYZADRCSA-N 1 2 208.265 0.885 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC2(C1)CCOC2 ZINC000342006626 487847693 /nfs/dbraw/zinc/84/76/93/487847693.db2.gz RKBIEAODLKGHMZ-UHFFFAOYSA-N 1 2 235.287 0.522 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681746713 487851529 /nfs/dbraw/zinc/85/15/29/487851529.db2.gz XLZGYYNSGGTKOX-OPRDCNLKSA-N 1 2 219.288 0.970 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1cn(C2CCC2)nn1 ZINC000668149380 487851905 /nfs/dbraw/zinc/85/19/05/487851905.db2.gz TVIRINVAYWKMIV-UHFFFAOYSA-N 1 2 237.307 0.310 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1cn(C2CCC2)nn1 ZINC000668149380 487851910 /nfs/dbraw/zinc/85/19/10/487851910.db2.gz TVIRINVAYWKMIV-UHFFFAOYSA-N 1 2 237.307 0.310 20 0 BCADLO CC(C)(O)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000681753493 487854140 /nfs/dbraw/zinc/85/41/40/487854140.db2.gz GSQDBPMXPCNKLR-UHFFFAOYSA-N 1 2 237.303 0.645 20 0 BCADLO Cc1nc(C(C)(C)NC(=O)Cn2cc[nH+]c2)no1 ZINC000558684987 322953601 /nfs/dbraw/zinc/95/36/01/322953601.db2.gz QWVCLXFDOASFFR-UHFFFAOYSA-N 1 2 249.274 0.626 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2ncsc2C1 ZINC000446069279 487857675 /nfs/dbraw/zinc/85/76/75/487857675.db2.gz HOZYROCUUMNNGA-VIFPVBQESA-N 1 2 237.328 0.780 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCc2ncsc2C1 ZINC000446069279 487857681 /nfs/dbraw/zinc/85/76/81/487857681.db2.gz HOZYROCUUMNNGA-VIFPVBQESA-N 1 2 237.328 0.780 20 0 BCADLO CN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000564639781 322955301 /nfs/dbraw/zinc/95/53/01/322955301.db2.gz AXIRTQRHQIQINT-UHFFFAOYSA-N 1 2 203.192 0.607 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676526521 487864660 /nfs/dbraw/zinc/86/46/60/487864660.db2.gz CUHXIISEENPKAX-VIFPVBQESA-N 1 2 246.274 0.479 20 0 BCADLO C[C@H](O)CN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000655374133 487869524 /nfs/dbraw/zinc/86/95/24/487869524.db2.gz JURTXSFVTYZNOS-JTQLQIEISA-N 1 2 237.303 0.645 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CSC[C@H]2C)[nH]1 ZINC000668510769 487869622 /nfs/dbraw/zinc/86/96/22/487869622.db2.gz ZRSNWFHXJKDLOH-SFYZADRCSA-N 1 2 242.348 0.792 20 0 BCADLO C[C@H]1COCCCN1C(=O)Cn1cc[nH+]c1 ZINC000676537071 487870318 /nfs/dbraw/zinc/87/03/18/487870318.db2.gz IJAKKVIXRBOCGQ-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO OCCCc1cn(-c2ncc(F)cn2)c[nH+]1 ZINC000676564458 487873987 /nfs/dbraw/zinc/87/39/87/487873987.db2.gz DQQRGNKLSRNJDR-UHFFFAOYSA-N 1 2 222.223 0.726 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000663188554 487874778 /nfs/dbraw/zinc/87/47/78/487874778.db2.gz IUNLUKLMPRNXHV-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCc1cnc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000676567169 487875327 /nfs/dbraw/zinc/87/53/27/487875327.db2.gz PEOQIYLRQNHIQR-KOLCDFICSA-N 1 2 240.303 0.412 20 0 BCADLO CCc1cnc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000676567169 487875330 /nfs/dbraw/zinc/87/53/30/487875330.db2.gz PEOQIYLRQNHIQR-KOLCDFICSA-N 1 2 240.303 0.412 20 0 BCADLO CCNC(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000130280625 322962596 /nfs/dbraw/zinc/96/25/96/322962596.db2.gz BLPMDGNTFQRPTO-UHFFFAOYSA-N 1 2 230.699 0.299 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC12CCC2 ZINC000676580158 487876181 /nfs/dbraw/zinc/87/61/81/487876181.db2.gz WMSNSVUNBDGGCN-RYUDHWBXSA-N 1 2 249.358 0.293 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000676588347 487877681 /nfs/dbraw/zinc/87/76/81/487877681.db2.gz XEKVAKVZJSWIIH-JTQLQIEISA-N 1 2 249.314 0.974 20 0 BCADLO CCc1noc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000048065569 487882118 /nfs/dbraw/zinc/88/21/18/487882118.db2.gz YKLYOMQBIHWJEV-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000048065569 487882126 /nfs/dbraw/zinc/88/21/26/487882126.db2.gz YKLYOMQBIHWJEV-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CC1(C[N@@H+]2CC(F)(F)C[C@H]2CO)COC1 ZINC000682032765 487885520 /nfs/dbraw/zinc/88/55/20/487885520.db2.gz PIEOUCZUWZZZCH-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@H+]2CC(F)(F)C[C@H]2CO)COC1 ZINC000682032765 487885524 /nfs/dbraw/zinc/88/55/24/487885524.db2.gz PIEOUCZUWZZZCH-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1nc(C[N@@H+]2CCN3CCOC[C@@H]3C2)co1 ZINC000660272884 487886846 /nfs/dbraw/zinc/88/68/46/487886846.db2.gz FMEDROBDQGBEBI-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1nc(C[N@H+]2CCN3CCOC[C@@H]3C2)co1 ZINC000660272884 487886853 /nfs/dbraw/zinc/88/68/53/487886853.db2.gz FMEDROBDQGBEBI-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000666868745 487894029 /nfs/dbraw/zinc/89/40/29/487894029.db2.gz BBZCGCZBXPUBRT-HTQZYQBOSA-N 1 2 247.258 0.854 20 0 BCADLO Cc1noc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000676713034 487900391 /nfs/dbraw/zinc/90/03/91/487900391.db2.gz DMNDXRPRMIMVIW-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000676713034 487900395 /nfs/dbraw/zinc/90/03/95/487900395.db2.gz DMNDXRPRMIMVIW-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000668536451 487900478 /nfs/dbraw/zinc/90/04/78/487900478.db2.gz UANZDBLRZOYTMF-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C1=CC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000679322519 487900517 /nfs/dbraw/zinc/90/05/17/487900517.db2.gz AVPKPPICWXKUTC-UHFFFAOYSA-N 1 2 205.265 0.770 20 0 BCADLO C1=CC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000679322519 487900524 /nfs/dbraw/zinc/90/05/24/487900524.db2.gz AVPKPPICWXKUTC-UHFFFAOYSA-N 1 2 205.265 0.770 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH+]c[nH]2)n(C)n1 ZINC000090127080 487905742 /nfs/dbraw/zinc/90/57/42/487905742.db2.gz NRMOFNVJILFXNK-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH]c[nH+]2)n(C)n1 ZINC000090127080 487905748 /nfs/dbraw/zinc/90/57/48/487905748.db2.gz NRMOFNVJILFXNK-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666010916 487909539 /nfs/dbraw/zinc/90/95/39/487909539.db2.gz MECJQNQCMUAYHO-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)(C(=O)NC1CC=CC1)[NH+]1CCOCC1 ZINC000669907188 487917686 /nfs/dbraw/zinc/91/76/86/487917686.db2.gz SHZSEIBYVCRTRQ-UHFFFAOYSA-N 1 2 238.331 0.932 20 0 BCADLO CCC[C@H](O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000676752552 487918787 /nfs/dbraw/zinc/91/87/87/487918787.db2.gz XOWTVOSVQSUBHF-NSHDSACASA-N 1 2 237.303 0.818 20 0 BCADLO CCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000083596560 487923034 /nfs/dbraw/zinc/92/30/34/487923034.db2.gz VAUKCUZHWXNFSD-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO CCOc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000083596560 487923040 /nfs/dbraw/zinc/92/30/40/487923040.db2.gz VAUKCUZHWXNFSD-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000682170394 487924167 /nfs/dbraw/zinc/92/41/67/487924167.db2.gz YIONSCHVDQXZRE-LBPRGKRZSA-N 1 2 236.319 0.900 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000682170394 487924170 /nfs/dbraw/zinc/92/41/70/487924170.db2.gz YIONSCHVDQXZRE-LBPRGKRZSA-N 1 2 236.319 0.900 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)nn1 ZINC000669927737 487929462 /nfs/dbraw/zinc/92/94/62/487929462.db2.gz JYFUBLPIRIMIMD-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)nn1 ZINC000669927737 487929468 /nfs/dbraw/zinc/92/94/68/487929468.db2.gz JYFUBLPIRIMIMD-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1=O ZINC000676794524 487931140 /nfs/dbraw/zinc/93/11/40/487931140.db2.gz DGSZHSOSDRFZLO-UHFFFAOYSA-N 1 2 244.298 0.667 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1=O ZINC000676794524 487931144 /nfs/dbraw/zinc/93/11/44/487931144.db2.gz DGSZHSOSDRFZLO-UHFFFAOYSA-N 1 2 244.298 0.667 20 0 BCADLO c1n[nH]c2c1CC[N@@H+](CCN1CCOCC1)C2 ZINC000676796126 487933248 /nfs/dbraw/zinc/93/32/48/487933248.db2.gz YPMXOQITDNUOIB-UHFFFAOYSA-N 1 2 236.319 0.100 20 0 BCADLO c1n[nH]c2c1CC[N@H+](CCN1CCOCC1)C2 ZINC000676796126 487933251 /nfs/dbraw/zinc/93/32/51/487933251.db2.gz YPMXOQITDNUOIB-UHFFFAOYSA-N 1 2 236.319 0.100 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000676888982 487942116 /nfs/dbraw/zinc/94/21/16/487942116.db2.gz ZYWOFKQXHOTRTR-QMMMGPOBSA-N 1 2 224.264 0.075 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000676888982 487942122 /nfs/dbraw/zinc/94/21/22/487942122.db2.gz ZYWOFKQXHOTRTR-QMMMGPOBSA-N 1 2 224.264 0.075 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672144629 487943074 /nfs/dbraw/zinc/94/30/74/487943074.db2.gz BLUWWDDLUCATHC-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145348 487954168 /nfs/dbraw/zinc/95/41/68/487954168.db2.gz FXICMRIFDFNQHL-UMNHJUIQSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000682422305 487956299 /nfs/dbraw/zinc/95/62/99/487956299.db2.gz QHHWONYPMZPZNT-NOOOWODRSA-N 1 2 240.347 0.868 20 0 BCADLO CS[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000569408166 322965362 /nfs/dbraw/zinc/96/53/62/322965362.db2.gz XTNOIXQMUMGBTO-MRVPVSSYSA-N 1 2 227.333 0.830 20 0 BCADLO C[C@H](CC(=O)N(C)CCO)n1cc[nH+]c1 ZINC000569464006 322966991 /nfs/dbraw/zinc/96/69/91/322966991.db2.gz TUWWJZLJBNBORG-SECBINFHSA-N 1 2 211.265 0.285 20 0 BCADLO Cc1c(CNC(=O)Cn2cc[nH+]c2)cnn1C ZINC000559828733 322980076 /nfs/dbraw/zinc/98/00/76/322980076.db2.gz HYRXKPSQRNIYPK-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO C[C@@H]1CC(NC(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000560414597 322986943 /nfs/dbraw/zinc/98/69/43/322986943.db2.gz ZYKJVIBJVWQRPC-NXEZZACHSA-N 1 2 237.303 0.955 20 0 BCADLO COCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561057655 322994605 /nfs/dbraw/zinc/99/46/05/322994605.db2.gz SXBUREABKRNIJG-SECBINFHSA-N 1 2 223.276 0.208 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000561301693 322999115 /nfs/dbraw/zinc/99/91/15/322999115.db2.gz PMPCVXFHOABRTP-CMPLNLGQSA-N 1 2 249.314 0.333 20 0 BCADLO CN(Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC000561419585 323001440 /nfs/dbraw/zinc/00/14/40/323001440.db2.gz GQXLYTGHXQCQTH-UHFFFAOYSA-N 1 2 230.271 0.937 20 0 BCADLO COC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000074768025 323003098 /nfs/dbraw/zinc/00/30/98/323003098.db2.gz NQHKTLPDSZYQPX-UHFFFAOYSA-N 1 2 235.287 0.966 20 0 BCADLO COc1cc(NCc2[nH]cc[nH+]2)nn1C ZINC000300771925 323003907 /nfs/dbraw/zinc/00/39/07/323003907.db2.gz ICLGAOQFXOHJOC-UHFFFAOYSA-N 1 2 207.237 0.764 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427991965 323017373 /nfs/dbraw/zinc/01/73/73/323017373.db2.gz LIQOZBUCTLXIED-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC(C)(C)O ZINC000562367475 323018277 /nfs/dbraw/zinc/01/82/77/323018277.db2.gz HXZXWHVDOYNGND-UHFFFAOYSA-N 1 2 225.292 0.919 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000151884693 323032012 /nfs/dbraw/zinc/03/20/12/323032012.db2.gz CTTYKWWVOPMJCP-RYUDHWBXSA-N 1 2 236.315 0.494 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000151884693 323032013 /nfs/dbraw/zinc/03/20/13/323032013.db2.gz CTTYKWWVOPMJCP-RYUDHWBXSA-N 1 2 236.315 0.494 20 0 BCADLO CC(F)(F)CNC(=O)NCCn1cc[nH+]c1 ZINC000562852909 323032081 /nfs/dbraw/zinc/03/20/81/323032081.db2.gz OFOAMGQINATBLQ-UHFFFAOYSA-N 1 2 232.234 0.838 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)CC(=O)N1C ZINC000562901082 323033188 /nfs/dbraw/zinc/03/31/88/323033188.db2.gz LMSHVCIOJZLQRW-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CC(=O)N1C ZINC000562901082 323033189 /nfs/dbraw/zinc/03/31/89/323033189.db2.gz LMSHVCIOJZLQRW-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO COC1([C@@H](C)[NH2+]Cc2nnn(C)n2)CCCC1 ZINC000562949317 323034715 /nfs/dbraw/zinc/03/47/15/323034715.db2.gz OYRFOUIUUINPDO-SECBINFHSA-N 1 2 239.323 0.647 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2ccn(C)n2)C1 ZINC000569687842 323036964 /nfs/dbraw/zinc/03/69/64/323036964.db2.gz WNPHQWCTLAXJBU-UHFFFAOYSA-N 1 2 223.276 0.415 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)cnn1 ZINC000527299537 323038386 /nfs/dbraw/zinc/03/83/86/323038386.db2.gz FTQIMRYYDJIOTK-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO C[C@H](O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000569982260 323046365 /nfs/dbraw/zinc/04/63/65/323046365.db2.gz DDRXTOBKBISTMC-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC000570017468 323047526 /nfs/dbraw/zinc/04/75/26/323047526.db2.gz MGMGQIHCGSQVAP-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+]2CCC(C)(C)C2)n[nH]1 ZINC000570290924 323055459 /nfs/dbraw/zinc/05/54/59/323055459.db2.gz DLCOFHRZXZIISY-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO Cc1nc(NC(=O)C[N@H+]2CCC(C)(C)C2)n[nH]1 ZINC000570290924 323055460 /nfs/dbraw/zinc/05/54/60/323055460.db2.gz DLCOFHRZXZIISY-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+]2CCC(C)(C)C2)[nH]1 ZINC000570290924 323055461 /nfs/dbraw/zinc/05/54/61/323055461.db2.gz DLCOFHRZXZIISY-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO Cc1nnc(NC(=O)C[N@H+]2CCC(C)(C)C2)[nH]1 ZINC000570290924 323055462 /nfs/dbraw/zinc/05/54/62/323055462.db2.gz DLCOFHRZXZIISY-UHFFFAOYSA-N 1 2 237.307 0.784 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000570326987 323056459 /nfs/dbraw/zinc/05/64/59/323056459.db2.gz MJCOITZZZSQPDL-JTQLQIEISA-N 1 2 236.319 0.913 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000570326987 323056460 /nfs/dbraw/zinc/05/64/60/323056460.db2.gz MJCOITZZZSQPDL-JTQLQIEISA-N 1 2 236.319 0.913 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cn1ccnc1 ZINC000570445340 323059663 /nfs/dbraw/zinc/05/96/63/323059663.db2.gz QHKGOOLORDWDOH-UHFFFAOYSA-N 1 2 247.302 0.628 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)nn1C ZINC000570526563 323062228 /nfs/dbraw/zinc/06/22/28/323062228.db2.gz AMZODVHVXQUOSW-ZETCQYMHSA-N 1 2 248.290 0.664 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)nn1C ZINC000570526563 323062229 /nfs/dbraw/zinc/06/22/29/323062229.db2.gz AMZODVHVXQUOSW-ZETCQYMHSA-N 1 2 248.290 0.664 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@H](O)C2(CC2)C1 ZINC000570583185 323063992 /nfs/dbraw/zinc/06/39/92/323063992.db2.gz XOQFVLVSZHYFKV-ZETCQYMHSA-N 1 2 236.275 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@H](O)C2(CC2)C1 ZINC000570583185 323063993 /nfs/dbraw/zinc/06/39/93/323063993.db2.gz XOQFVLVSZHYFKV-ZETCQYMHSA-N 1 2 236.275 0.029 20 0 BCADLO CSC[C@@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000570711015 323068182 /nfs/dbraw/zinc/06/81/82/323068182.db2.gz PTPNQAYCMBMAFV-QMMMGPOBSA-N 1 2 243.332 0.761 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1C ZINC000572660634 323073341 /nfs/dbraw/zinc/07/33/41/323073341.db2.gz NOVWSIIIVAXOIN-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1C ZINC000572660634 323073342 /nfs/dbraw/zinc/07/33/42/323073342.db2.gz NOVWSIIIVAXOIN-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO O=C(c1cncc(O)c1)N1CC(n2cc[nH+]c2)C1 ZINC000531180198 323080836 /nfs/dbraw/zinc/08/08/36/323080836.db2.gz FGTGETZTSUNLBR-UHFFFAOYSA-N 1 2 244.254 0.681 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000216197987 323081842 /nfs/dbraw/zinc/08/18/42/323081842.db2.gz GXPHGCMEXLNZFQ-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000216197987 323081843 /nfs/dbraw/zinc/08/18/43/323081843.db2.gz GXPHGCMEXLNZFQ-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO COC[C@H](C)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531493914 323098640 /nfs/dbraw/zinc/09/86/40/323098640.db2.gz FKQIHWLJMSTCOX-VIFPVBQESA-N 1 2 224.308 0.691 20 0 BCADLO COC[C@H](C)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531493914 323098641 /nfs/dbraw/zinc/09/86/41/323098641.db2.gz FKQIHWLJMSTCOX-VIFPVBQESA-N 1 2 224.308 0.691 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC(=O)C1 ZINC000563181385 323100575 /nfs/dbraw/zinc/10/05/75/323100575.db2.gz FYLTUEDKQFJKMP-VHSXEESVSA-N 1 2 235.287 0.757 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncn1 ZINC000570984808 323103026 /nfs/dbraw/zinc/10/30/26/323103026.db2.gz MAKGRJUGLNHVED-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncn1 ZINC000570984808 323103027 /nfs/dbraw/zinc/10/30/27/323103027.db2.gz MAKGRJUGLNHVED-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO CCC(=O)NC[C@@H]1CN(C(=O)CC)CC[N@@H+]1C ZINC000563286290 323108631 /nfs/dbraw/zinc/10/86/31/323108631.db2.gz PTCBTUPQSFQSAP-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCC(=O)NC[C@@H]1CN(C(=O)CC)CC[N@H+]1C ZINC000563286290 323108632 /nfs/dbraw/zinc/10/86/32/323108632.db2.gz PTCBTUPQSFQSAP-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2CCCOC2)CCOC1 ZINC000534315040 323116340 /nfs/dbraw/zinc/11/63/40/323116340.db2.gz AOEYSBAGOISEHP-JQWIXIFHSA-N 1 2 243.303 0.335 20 0 BCADLO CCOC(=O)CC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000534315000 323116394 /nfs/dbraw/zinc/11/63/94/323116394.db2.gz MPELFGUSEQOALM-GFCCVEGCSA-N 1 2 243.303 0.871 20 0 BCADLO CC1(C)C[C@H]([NH2+]Cc2nc3ncccn3n2)CO1 ZINC000563443125 323126900 /nfs/dbraw/zinc/12/69/00/323126900.db2.gz CNTVMRQOZRRCGB-VIFPVBQESA-N 1 2 247.302 0.781 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCc2c[nH]nc21 ZINC000563490597 323127722 /nfs/dbraw/zinc/12/77/22/323127722.db2.gz NNBOOGWHDKPFCT-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1nncn1C ZINC000310147617 323128315 /nfs/dbraw/zinc/12/83/15/323128315.db2.gz HADGTGCMFPKIKO-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1nncn1C ZINC000310147617 323128316 /nfs/dbraw/zinc/12/83/16/323128316.db2.gz HADGTGCMFPKIKO-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@H](O)C1 ZINC000310342106 323130847 /nfs/dbraw/zinc/13/08/47/323130847.db2.gz FBAFSVIORAGKRA-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[C@H](O)C1 ZINC000310342107 323130932 /nfs/dbraw/zinc/13/09/32/323130932.db2.gz FBAFSVIORAGKRA-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310387420 323131210 /nfs/dbraw/zinc/13/12/10/323131210.db2.gz KJBHRVXAZBIBOG-GARJFASQSA-N 1 2 235.287 0.112 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000571296637 323140652 /nfs/dbraw/zinc/14/06/52/323140652.db2.gz VZEOALCYJKPCJJ-DTWKUNHWSA-N 1 2 233.271 0.262 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1[nH+]ccn1C ZINC000571417755 323144412 /nfs/dbraw/zinc/14/44/12/323144412.db2.gz UAIFNCXDVXHCFE-LLVKDONJSA-N 1 2 225.292 0.445 20 0 BCADLO Cc1onc(CO)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000571535421 323147430 /nfs/dbraw/zinc/14/74/30/323147430.db2.gz PPPXOTRHXDFPTN-UHFFFAOYSA-N 1 2 247.254 0.853 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCSC1 ZINC000571550073 323148137 /nfs/dbraw/zinc/14/81/37/323148137.db2.gz RAPODAPFWSVLRM-VIFPVBQESA-N 1 2 239.344 0.927 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000049237087 323159331 /nfs/dbraw/zinc/15/93/31/323159331.db2.gz MDZFCZCUUDFHDG-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000049237087 323159332 /nfs/dbraw/zinc/15/93/32/323159332.db2.gz MDZFCZCUUDFHDG-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000111542173 323160884 /nfs/dbraw/zinc/16/08/84/323160884.db2.gz LBZBHEIVDADXMS-UHFFFAOYSA-N 1 2 217.232 0.412 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCC(=O)N(C)C)C1CC1 ZINC000535051067 323164612 /nfs/dbraw/zinc/16/46/12/323164612.db2.gz XLLOWFIVQXIPOH-GFCCVEGCSA-N 1 2 242.319 0.396 20 0 BCADLO C[C@](O)(CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000535128540 323166886 /nfs/dbraw/zinc/16/68/86/323166886.db2.gz IPHLFWLVMLMNPR-ZDUSSCGKSA-N 1 2 249.314 0.818 20 0 BCADLO COC(=O)[C@@H](C)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313789 323170287 /nfs/dbraw/zinc/17/02/87/323170287.db2.gz OJCQWTVCLYTTCI-ZJUUUORDSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313789 323170288 /nfs/dbraw/zinc/17/02/88/323170288.db2.gz OJCQWTVCLYTTCI-ZJUUUORDSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313789 323170289 /nfs/dbraw/zinc/17/02/89/323170289.db2.gz OJCQWTVCLYTTCI-ZJUUUORDSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@H](C)OC)C1CC1 ZINC000308847009 323179727 /nfs/dbraw/zinc/17/97/27/323179727.db2.gz ALDSODCHNOUQES-KWQFWETISA-N 1 2 215.293 0.953 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)[C@H]1CCOC1 ZINC000563848661 323180661 /nfs/dbraw/zinc/18/06/61/323180661.db2.gz CELDKZJJWHFSCS-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)[C@H]1CCOC1 ZINC000563848661 323180662 /nfs/dbraw/zinc/18/06/62/323180662.db2.gz CELDKZJJWHFSCS-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO CN1CCC[C@@H]1C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000563855735 323181037 /nfs/dbraw/zinc/18/10/37/323181037.db2.gz UOGOPDGIYACZIM-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO CN1CCC[C@@H]1C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000563855735 323181038 /nfs/dbraw/zinc/18/10/38/323181038.db2.gz UOGOPDGIYACZIM-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO COC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000563871387 323181937 /nfs/dbraw/zinc/18/19/37/323181937.db2.gz VVIDWSUHVTUMHZ-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000526082660 323188021 /nfs/dbraw/zinc/18/80/21/323188021.db2.gz RYUNUVDCTIUZKC-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000526082660 323188022 /nfs/dbraw/zinc/18/80/22/323188022.db2.gz RYUNUVDCTIUZKC-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21NC(=O)Cn1cc[nH+]c1 ZINC000529787203 323188325 /nfs/dbraw/zinc/18/83/25/323188325.db2.gz LHGGURIHAGSJTN-SKDRFNHKSA-N 1 2 235.287 0.567 20 0 BCADLO COCC1(NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000535879023 323193708 /nfs/dbraw/zinc/19/37/08/323193708.db2.gz CUNCGCTYTRERHX-UHFFFAOYSA-N 1 2 209.249 0.627 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529985305 323195130 /nfs/dbraw/zinc/19/51/30/323195130.db2.gz TVWDJRYFIRPFBU-UOKLYIGXSA-N 1 2 237.303 0.880 20 0 BCADLO COC[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000519412781 323198486 /nfs/dbraw/zinc/19/84/86/323198486.db2.gz LZCWDYSYQSUALC-GFCCVEGCSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1cc(NC(=O)NCCO)c(C)c[nH+]1 ZINC000536620887 323198884 /nfs/dbraw/zinc/19/88/84/323198884.db2.gz BYVAQNMYNFUOND-UHFFFAOYSA-N 1 2 209.249 0.234 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000547482070 323205879 /nfs/dbraw/zinc/20/58/79/323205879.db2.gz LDZIKSGLAUEMTK-TUAOUCFPSA-N 1 2 249.314 0.504 20 0 BCADLO CC[C@@H](C(=O)OC)[NH+]1CCSCC1 ZINC000041366721 323207750 /nfs/dbraw/zinc/20/77/50/323207750.db2.gz HUZPZIIIZGTINJ-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO O=C([C@H]1CCC[C@@H](O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000526131728 323239822 /nfs/dbraw/zinc/23/98/22/323239822.db2.gz XEATUZWEXMPNNT-CMPLNLGQSA-N 1 2 249.314 0.818 20 0 BCADLO O=C([C@@H]1CCC[C@H](O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000526131730 323239854 /nfs/dbraw/zinc/23/98/54/323239854.db2.gz XEATUZWEXMPNNT-PWSUYJOCSA-N 1 2 249.314 0.818 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1ccoc1 ZINC000043311509 323275177 /nfs/dbraw/zinc/27/51/77/323275177.db2.gz WBYYDBKKKCHHII-UHFFFAOYSA-N 1 2 234.259 0.976 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000532755887 323294948 /nfs/dbraw/zinc/29/49/48/323294948.db2.gz OLIAVPWKYZTZPG-GFCCVEGCSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1nnccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000532798270 323299588 /nfs/dbraw/zinc/29/95/88/323299588.db2.gz YIZBBTFAMHWVBB-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000309380077 323350081 /nfs/dbraw/zinc/35/00/81/323350081.db2.gz QSWATLHGTMOUIY-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)C[C@H](CC)O1 ZINC000398609661 323375566 /nfs/dbraw/zinc/37/55/66/323375566.db2.gz YFTZHUPXVLEKNJ-DTORHVGOSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)C[C@H](CC)O1 ZINC000398609661 323375569 /nfs/dbraw/zinc/37/55/69/323375569.db2.gz YFTZHUPXVLEKNJ-DTORHVGOSA-N 1 2 200.282 0.361 20 0 BCADLO COC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000564015390 323404763 /nfs/dbraw/zinc/40/47/63/323404763.db2.gz OVHLBWICSDSTMA-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO COc1ccc[nH+]c1N1CCN(C)C(=O)C1 ZINC000527905126 323715010 /nfs/dbraw/zinc/71/50/10/323715010.db2.gz XQSSOWHRFAEOKB-UHFFFAOYSA-N 1 2 221.260 0.369 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)CC[C@@H]2C1 ZINC000527942088 323721943 /nfs/dbraw/zinc/72/19/43/323721943.db2.gz BDHCIRGPLZFPHG-SNVBAGLBSA-N 1 2 247.298 0.901 20 0 BCADLO C[C@@H](O)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667249923 487961651 /nfs/dbraw/zinc/96/16/51/487961651.db2.gz CQVDAIHFYFWZAN-RKDXNWHRSA-N 1 2 240.307 0.551 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667246291 487961677 /nfs/dbraw/zinc/96/16/77/487961677.db2.gz DUKUVELTZUXKBD-DTWKUNHWSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@@H](NC(=O)NC[C@H](C)O)c1[nH+]ccn1C ZINC000667251087 487961826 /nfs/dbraw/zinc/96/18/26/487961826.db2.gz CILUBMRVXRFSGO-JGVFFNPUSA-N 1 2 226.280 0.161 20 0 BCADLO C[C@@H](NC(=O)NCC[C@H](C)O)c1[nH+]ccn1C ZINC000667246247 487962176 /nfs/dbraw/zinc/96/21/76/487962176.db2.gz CQVDAIHFYFWZAN-DTWKUNHWSA-N 1 2 240.307 0.551 20 0 BCADLO CCOCC(=O)NCCCCn1cc[nH+]c1 ZINC000060408443 324034284 /nfs/dbraw/zinc/03/42/84/324034284.db2.gz LGIWURMATRSABQ-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)OC ZINC000060474027 324036838 /nfs/dbraw/zinc/03/68/38/324036838.db2.gz MNYCVNMDAQMXPL-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)OC ZINC000060474027 324036841 /nfs/dbraw/zinc/03/68/41/324036841.db2.gz MNYCVNMDAQMXPL-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCOC(C)(C)C)CCO1 ZINC000122265207 324037032 /nfs/dbraw/zinc/03/70/32/324037032.db2.gz BZHDPEPNHRKTME-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCOC(C)(C)C)CCO1 ZINC000122265207 324037035 /nfs/dbraw/zinc/03/70/35/324037035.db2.gz BZHDPEPNHRKTME-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc[nH]1 ZINC000060531592 324039176 /nfs/dbraw/zinc/03/91/76/324039176.db2.gz YJLORMAWOBSXCW-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCSC)CCO1 ZINC000122427825 324044200 /nfs/dbraw/zinc/04/42/00/324044200.db2.gz RVDQAMAVIBRRPQ-QMMMGPOBSA-N 1 2 219.306 0.223 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCSC)CCO1 ZINC000122427825 324044206 /nfs/dbraw/zinc/04/42/06/324044206.db2.gz RVDQAMAVIBRRPQ-QMMMGPOBSA-N 1 2 219.306 0.223 20 0 BCADLO CCOCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000060552459 324045415 /nfs/dbraw/zinc/04/54/15/324045415.db2.gz GYYOXBJIXZPYBE-UHFFFAOYSA-N 1 2 237.303 0.800 20 0 BCADLO CCOC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000122544914 324048344 /nfs/dbraw/zinc/04/83/44/324048344.db2.gz KYIPNFHEOJLZGW-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO CCOC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000122544914 324048347 /nfs/dbraw/zinc/04/83/47/324048347.db2.gz KYIPNFHEOJLZGW-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cccnc1 ZINC000123077196 324080210 /nfs/dbraw/zinc/08/02/10/324080210.db2.gz HVAKODURUUBYHS-UHFFFAOYSA-N 1 2 216.244 0.777 20 0 BCADLO CCOCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000123085049 324080935 /nfs/dbraw/zinc/08/09/35/324080935.db2.gz CZYNTTGRXXZOGN-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO Cc1c[nH]cc(C(=O)Nc2cc[nH+]cc2O)c1=O ZINC000537585744 324083274 /nfs/dbraw/zinc/08/32/74/324083274.db2.gz CJELXCPMXNSPFP-UHFFFAOYSA-N 1 2 245.238 0.458 20 0 BCADLO CCn1cc(C[N@H+](C)Cc2cnnn2C)cn1 ZINC000537623431 324088397 /nfs/dbraw/zinc/08/83/97/324088397.db2.gz GIQBXWDILQGJLF-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO CCn1cc(C[N@@H+](C)Cc2cnnn2C)cn1 ZINC000537623431 324088400 /nfs/dbraw/zinc/08/84/00/324088400.db2.gz GIQBXWDILQGJLF-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nccs1 ZINC000514767495 324111960 /nfs/dbraw/zinc/11/19/60/324111960.db2.gz FFPZBHRXUVSXMO-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nccs1 ZINC000514767495 324111962 /nfs/dbraw/zinc/11/19/62/324111962.db2.gz FFPZBHRXUVSXMO-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000162900463 324135245 /nfs/dbraw/zinc/13/52/45/324135245.db2.gz YXFOAEDAPOXVKU-SSDOTTSWSA-N 1 2 238.243 0.925 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccncc2)CCO1 ZINC000523440073 324206570 /nfs/dbraw/zinc/20/65/70/324206570.db2.gz BPNIFWIZTXTADJ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccncc2)CCO1 ZINC000523440073 324206575 /nfs/dbraw/zinc/20/65/75/324206575.db2.gz BPNIFWIZTXTADJ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000529569679 324346317 /nfs/dbraw/zinc/34/63/17/324346317.db2.gz QBEIDRXKIGUYKZ-UHFFFAOYSA-N 1 2 219.288 0.710 20 0 BCADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)CC(C)(C)O ZINC000653556780 487963637 /nfs/dbraw/zinc/96/36/37/487963637.db2.gz JJNOHIRNVOOWSE-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)CC(C)(C)O ZINC000653556780 487963640 /nfs/dbraw/zinc/96/36/40/487963640.db2.gz JJNOHIRNVOOWSE-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661714802 487964420 /nfs/dbraw/zinc/96/44/20/487964420.db2.gz GSEBQDMASDTMLF-OVYXKVPISA-N 1 2 223.276 0.896 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661714802 487964421 /nfs/dbraw/zinc/96/44/21/487964421.db2.gz GSEBQDMASDTMLF-OVYXKVPISA-N 1 2 223.276 0.896 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000125800661 324655029 /nfs/dbraw/zinc/65/50/29/324655029.db2.gz MZJTWTHKAJQZIT-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnnc1C ZINC000677090581 487964643 /nfs/dbraw/zinc/96/46/43/487964643.db2.gz FZSPTAWDSDYSPA-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CC(n2cc[nH+]c2)C1 ZINC000540961427 324936411 /nfs/dbraw/zinc/93/64/11/324936411.db2.gz MKCQZYXDPHIUAN-TUAOUCFPSA-N 1 2 247.298 0.691 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000541905244 324992824 /nfs/dbraw/zinc/99/28/24/324992824.db2.gz LGBVSPDWQYDHEY-VIFPVBQESA-N 1 2 246.274 0.306 20 0 BCADLO Cc1nc(C(=O)NCCc2c[nH+]cn2C)co1 ZINC000669960098 487966533 /nfs/dbraw/zinc/96/65/33/487966533.db2.gz ONSXOGOAEMQEPP-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000070991462 325049005 /nfs/dbraw/zinc/04/90/05/325049005.db2.gz BYVPYUFHYYMHTF-QMMMGPOBSA-N 1 2 248.286 0.037 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccon1 ZINC000543446274 325089130 /nfs/dbraw/zinc/08/91/30/325089130.db2.gz FNGFDXTZSHRSAD-UHFFFAOYSA-N 1 2 220.232 0.381 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660381320 487966938 /nfs/dbraw/zinc/96/69/38/487966938.db2.gz MCXLVCFMNXXOKO-JFGNBEQYSA-N 1 2 238.335 0.829 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1cnn[nH]1 ZINC000660381320 487966946 /nfs/dbraw/zinc/96/69/46/487966946.db2.gz MCXLVCFMNXXOKO-JFGNBEQYSA-N 1 2 238.335 0.829 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H](CO)C2CCCCC2)[nH]1 ZINC000543835966 325116526 /nfs/dbraw/zinc/11/65/26/325116526.db2.gz DRWKXUUJNOVMBS-VIFPVBQESA-N 1 2 240.307 0.541 20 0 BCADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000543836637 325116580 /nfs/dbraw/zinc/11/65/80/325116580.db2.gz QKFHMIROEPXTTE-JTQLQIEISA-N 1 2 248.286 0.642 20 0 BCADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000543836641 325117062 /nfs/dbraw/zinc/11/70/62/325117062.db2.gz QKFHMIROEPXTTE-SNVBAGLBSA-N 1 2 248.286 0.642 20 0 BCADLO O=C(Nc1ccc2c(c1)CCN2)[C@@H]1COCC[NH2+]1 ZINC000131438096 325150700 /nfs/dbraw/zinc/15/07/00/325150700.db2.gz YBPHXCVRCIHBGT-LBPRGKRZSA-N 1 2 247.298 0.582 20 0 BCADLO Cc1n[nH]cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000545315835 325211331 /nfs/dbraw/zinc/21/13/31/325211331.db2.gz DQVUTSOPOFICGF-UHFFFAOYSA-N 1 2 247.306 0.404 20 0 BCADLO OC1(C[N@H+]2CCn3ncnc3C2)CCCC1 ZINC000546033516 325260629 /nfs/dbraw/zinc/26/06/29/325260629.db2.gz NCGVOYYSDANYFC-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO OC1(C[N@@H+]2CCn3ncnc3C2)CCCC1 ZINC000546033516 325260626 /nfs/dbraw/zinc/26/06/26/325260626.db2.gz NCGVOYYSDANYFC-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO COCc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547209385 325332513 /nfs/dbraw/zinc/33/25/13/325332513.db2.gz KSNFPEBOBJYGHS-QMMMGPOBSA-N 1 2 226.280 0.134 20 0 BCADLO COCc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547209385 325332515 /nfs/dbraw/zinc/33/25/15/325332515.db2.gz KSNFPEBOBJYGHS-QMMMGPOBSA-N 1 2 226.280 0.134 20 0 BCADLO CCOCc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547208229 325332592 /nfs/dbraw/zinc/33/25/92/325332592.db2.gz QQGRBNJUQQOLFP-VIFPVBQESA-N 1 2 240.307 0.524 20 0 BCADLO CCOCc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547208229 325332593 /nfs/dbraw/zinc/33/25/93/325332593.db2.gz QQGRBNJUQQOLFP-VIFPVBQESA-N 1 2 240.307 0.524 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000134031855 325338860 /nfs/dbraw/zinc/33/88/60/325338860.db2.gz YHWDPCMHGGCFHL-WCQYABFASA-N 1 2 240.347 0.559 20 0 BCADLO CCCc1noc(C[N@H+](CCO)CCOC)n1 ZINC000134303685 325353249 /nfs/dbraw/zinc/35/32/49/325353249.db2.gz LNMKELSTPQVQAP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCCc1noc(C[N@@H+](CCO)CCOC)n1 ZINC000134303685 325353251 /nfs/dbraw/zinc/35/32/51/325353251.db2.gz LNMKELSTPQVQAP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)CCOC1 ZINC000547482173 325361377 /nfs/dbraw/zinc/36/13/77/325361377.db2.gz ZLQJCDZUXAMSDG-LBPRGKRZSA-N 1 2 237.303 0.505 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCS1 ZINC000547539578 325370975 /nfs/dbraw/zinc/37/09/75/325370975.db2.gz VUXRJRJPUUGNSO-JTQLQIEISA-N 1 2 239.344 0.974 20 0 BCADLO CC[C@@H](COC)NC(=O)Cc1c[nH+]cn1C ZINC000547731588 325389608 /nfs/dbraw/zinc/38/96/08/325389608.db2.gz IGJYUJNOPNVBSQ-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO CCCC[C@@H]([NH2+]CCCNC(C)=O)C(=O)OC ZINC000135152485 325397524 /nfs/dbraw/zinc/39/75/24/325397524.db2.gz BWQYOOBWNLPQEO-LLVKDONJSA-N 1 2 244.335 0.834 20 0 BCADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000682461318 487967979 /nfs/dbraw/zinc/96/79/79/487967979.db2.gz ONIUQCLCSPEZHA-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1cccnc1CNC(=O)Cc1c[nH+]cn1C ZINC000548192187 325440324 /nfs/dbraw/zinc/44/03/24/325440324.db2.gz JRAUPSPZBVRLAI-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CCO[C@@H](CC)C(=O)NCCc1c[nH+]cn1C ZINC000548460530 325460253 /nfs/dbraw/zinc/46/02/53/325460253.db2.gz AHTNXQLCQVGGKY-NSHDSACASA-N 1 2 239.319 0.894 20 0 BCADLO CN(C)c1ncc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000548802347 325485563 /nfs/dbraw/zinc/48/55/63/325485563.db2.gz RHGVADZBRXOLLY-UHFFFAOYSA-N 1 2 246.274 0.378 20 0 BCADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000682461318 487967977 /nfs/dbraw/zinc/96/79/77/487967977.db2.gz ONIUQCLCSPEZHA-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1nc(N2C[C@@H]3COC[C@@]3(C)C2)nc(N)[nH+]1 ZINC000631362107 487968230 /nfs/dbraw/zinc/96/82/30/487968230.db2.gz UTBSUHBUQFRTJP-LDYMZIIASA-N 1 2 235.291 0.235 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3COC[C@@]3(C)C2)[nH+]1 ZINC000631362107 487968234 /nfs/dbraw/zinc/96/82/34/487968234.db2.gz UTBSUHBUQFRTJP-LDYMZIIASA-N 1 2 235.291 0.235 20 0 BCADLO O=C(NCc1cc[nH]n1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682459110 487968357 /nfs/dbraw/zinc/96/83/57/487968357.db2.gz YIJLWGKZJPJMLV-SECBINFHSA-N 1 2 245.286 0.485 20 0 BCADLO C[C@@H](CC(=O)NC(C)(C)CO)n1cc[nH+]c1 ZINC000551913065 325574180 /nfs/dbraw/zinc/57/41/80/325574180.db2.gz ZTXCYNKQCOQYMK-VIFPVBQESA-N 1 2 225.292 0.721 20 0 BCADLO CC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000551969488 325577410 /nfs/dbraw/zinc/57/74/10/325577410.db2.gz JCCJLVAHESXXPI-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C(N)=O)C1 ZINC000249582490 325656431 /nfs/dbraw/zinc/65/64/31/325656431.db2.gz RRKPRFNDQXSOCD-VHSXEESVSA-N 1 2 236.319 0.506 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CC1CCC1 ZINC000552759730 325665065 /nfs/dbraw/zinc/66/50/65/325665065.db2.gz UEXFNUXZYVPIEZ-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000252012513 325684423 /nfs/dbraw/zinc/68/44/23/325684423.db2.gz XUKCIKDVKOFUHV-UWVGGRQHSA-N 1 2 225.292 0.645 20 0 BCADLO Cc1cc(CCNC(=O)c2c[nH+]c(C)[nH]2)on1 ZINC000553572441 325696313 /nfs/dbraw/zinc/69/63/13/325696313.db2.gz ALVDCBADKQZCFF-UHFFFAOYSA-N 1 2 234.259 0.987 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCOCC1 ZINC000682481953 487970170 /nfs/dbraw/zinc/97/01/70/487970170.db2.gz ASSCBKQOJVNDOJ-NSHDSACASA-N 1 2 249.314 0.694 20 0 BCADLO Cn1cc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000565366715 325901856 /nfs/dbraw/zinc/90/18/56/325901856.db2.gz VIVYVNGLUTVMKH-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CO)ccn12 ZINC000565434528 325911359 /nfs/dbraw/zinc/91/13/59/325911359.db2.gz VLXJJHROPGTUCN-MRVPVSSYSA-N 1 2 233.271 0.753 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](O)C12CCCC2 ZINC000565649848 325938510 /nfs/dbraw/zinc/93/85/10/325938510.db2.gz YMSDXGZHUPTXJA-LLVKDONJSA-N 1 2 249.314 0.789 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ncn1 ZINC000565865998 325965935 /nfs/dbraw/zinc/96/59/35/325965935.db2.gz MNVLIWCZCMYHHE-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566173378 326006242 /nfs/dbraw/zinc/00/62/42/326006242.db2.gz MRKRMKZNGHIXQV-SECBINFHSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566173378 326006244 /nfs/dbraw/zinc/00/62/44/326006244.db2.gz MRKRMKZNGHIXQV-SECBINFHSA-N 1 2 201.266 0.659 20 0 BCADLO [NH3+]CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000566250478 326024285 /nfs/dbraw/zinc/02/42/85/326024285.db2.gz AITCGBXNCFMLGV-VIFPVBQESA-N 1 2 249.318 0.347 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566293016 326029828 /nfs/dbraw/zinc/02/98/28/326029828.db2.gz YKSGGEAEKYCNQO-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H](CC(=O)N(CCO)C1CC1)n1cc[nH+]c1 ZINC000566331220 326034448 /nfs/dbraw/zinc/03/44/48/326034448.db2.gz NXAQMBLNHCANKD-SNVBAGLBSA-N 1 2 237.303 0.818 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566445215 326048816 /nfs/dbraw/zinc/04/88/16/326048816.db2.gz PDFHHXUOGSKOTF-ZDUSSCGKSA-N 1 2 242.363 0.851 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccn(C)n1 ZINC000566446545 326049077 /nfs/dbraw/zinc/04/90/77/326049077.db2.gz LWLXVUPODKNKRQ-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccn(C)n1 ZINC000566446545 326049080 /nfs/dbraw/zinc/04/90/80/326049080.db2.gz LWLXVUPODKNKRQ-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1cc(=O)n(C)cn1 ZINC000566478010 326054738 /nfs/dbraw/zinc/05/47/38/326054738.db2.gz FJYJDSSYCWYBGK-UHFFFAOYSA-N 1 2 219.248 0.140 20 0 BCADLO CCC(CC)(CO)C(=O)NCCc1[nH]cc[nH+]1 ZINC000566628595 326069871 /nfs/dbraw/zinc/06/98/71/326069871.db2.gz HSMRDOUWMWYAPH-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO COCC[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000566919746 326094310 /nfs/dbraw/zinc/09/43/10/326094310.db2.gz VKMRVQIXZYKRCL-JTQLQIEISA-N 1 2 225.292 0.672 20 0 BCADLO CCC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566918557 326094338 /nfs/dbraw/zinc/09/43/38/326094338.db2.gz NDKPRNIENRVXFP-SECBINFHSA-N 1 2 223.276 0.930 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(O)CCCC2)C1 ZINC000566982558 326099754 /nfs/dbraw/zinc/09/97/54/326099754.db2.gz JMIVYHPLMFEPNI-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000567264722 326152783 /nfs/dbraw/zinc/15/27/83/326152783.db2.gz KSOCOIDGUXZVQM-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000567264722 326152786 /nfs/dbraw/zinc/15/27/86/326152786.db2.gz KSOCOIDGUXZVQM-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000567264723 326153005 /nfs/dbraw/zinc/15/30/05/326153005.db2.gz KSOCOIDGUXZVQM-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000567264723 326153009 /nfs/dbraw/zinc/15/30/09/326153009.db2.gz KSOCOIDGUXZVQM-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cscn2)CO1 ZINC000567388900 326181929 /nfs/dbraw/zinc/18/19/29/326181929.db2.gz JMRPPVDHCKHINO-BKPPORCPSA-N 1 2 241.316 0.437 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)CO1 ZINC000567388901 326181995 /nfs/dbraw/zinc/18/19/95/326181995.db2.gz JMRPPVDHCKHINO-FJXKBIBVSA-N 1 2 241.316 0.437 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1CC[C@H]1O)n1cc[nH+]c1 ZINC000567395738 326183149 /nfs/dbraw/zinc/18/31/49/326183149.db2.gz BTDBFLMCJCWAKQ-IVZWLZJFSA-N 1 2 223.276 0.474 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)NC2CC2)[C@H]1C ZINC000156020425 326217008 /nfs/dbraw/zinc/21/70/08/326217008.db2.gz YNRISEJJXFEENF-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)NC2CC2)[C@H]1C ZINC000156020425 326217010 /nfs/dbraw/zinc/21/70/10/326217010.db2.gz YNRISEJJXFEENF-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000567611308 326228544 /nfs/dbraw/zinc/22/85/44/326228544.db2.gz XNGIWGDKBWMUTK-APPZFPTMSA-N 1 2 243.332 0.420 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCNC(=O)C1 ZINC000156452067 326233484 /nfs/dbraw/zinc/23/34/84/326233484.db2.gz RHTWTIOYRURZES-VIFPVBQESA-N 1 2 233.271 0.855 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]21 ZINC000156713841 326240471 /nfs/dbraw/zinc/24/04/71/326240471.db2.gz YXNXLMJHBFWFHX-NXEZZACHSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]21 ZINC000156713841 326240473 /nfs/dbraw/zinc/24/04/73/326240473.db2.gz YXNXLMJHBFWFHX-NXEZZACHSA-N 1 2 241.335 0.509 20 0 BCADLO C[C@H](O)[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000567686057 326245164 /nfs/dbraw/zinc/24/51/64/326245164.db2.gz VRMRQVWWMKQAHR-BQBZGAKWSA-N 1 2 211.265 0.806 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH+]1CC(C)(C(N)=O)C1 ZINC000567791128 326258717 /nfs/dbraw/zinc/25/87/17/326258717.db2.gz HVQZBLYDSOGHIZ-MRVPVSSYSA-N 1 2 228.292 0.135 20 0 BCADLO CCOC(=O)[C@H](CC)[NH+]1CC(C)(C(N)=O)C1 ZINC000567791129 326258776 /nfs/dbraw/zinc/25/87/76/326258776.db2.gz HVQZBLYDSOGHIZ-QMMMGPOBSA-N 1 2 228.292 0.135 20 0 BCADLO CCc1noc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000567791545 326258993 /nfs/dbraw/zinc/25/89/93/326258993.db2.gz VSLOSFQLMMBJOI-SSDOTTSWSA-N 1 2 238.291 0.500 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)C1 ZINC000567954680 326287849 /nfs/dbraw/zinc/28/78/49/326287849.db2.gz JZSGFUIGOKRQCL-SECBINFHSA-N 1 2 235.287 0.888 20 0 BCADLO CNC(=O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568015032 326296270 /nfs/dbraw/zinc/29/62/70/326296270.db2.gz WVIAHBYWCCNBIU-VIFPVBQESA-N 1 2 238.291 0.087 20 0 BCADLO CC[C@](C)(CO)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000568104756 326308605 /nfs/dbraw/zinc/30/86/05/326308605.db2.gz DNLXUUSWGBIFKI-ZYHUDNBSSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000158570803 326328993 /nfs/dbraw/zinc/32/89/93/326328993.db2.gz LBDJJEBXIZNFNN-JDNHERCYSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000158570803 326328995 /nfs/dbraw/zinc/32/89/95/326328995.db2.gz LBDJJEBXIZNFNN-JDNHERCYSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)[C@@H](C)O1 ZINC000568341754 326345769 /nfs/dbraw/zinc/34/57/69/326345769.db2.gz LDKNMDBFZPVXQL-OUAUKWLOSA-N 1 2 237.303 0.907 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)C1CCC1 ZINC000316341274 326349542 /nfs/dbraw/zinc/34/95/42/326349542.db2.gz PVQSZSKCIFMJMV-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO COCC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000568408437 326355141 /nfs/dbraw/zinc/35/51/41/326355141.db2.gz MZHDZSQZSGRVCI-UHFFFAOYSA-N 1 2 212.249 0.955 20 0 BCADLO COCC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000568408437 326355142 /nfs/dbraw/zinc/35/51/42/326355142.db2.gz MZHDZSQZSGRVCI-UHFFFAOYSA-N 1 2 212.249 0.955 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@](C)(CC)CO ZINC000568529545 326363780 /nfs/dbraw/zinc/36/37/80/326363780.db2.gz GWFQPFOOMBMNDU-GFCCVEGCSA-N 1 2 239.319 0.928 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nc2cnccc2CO)C1 ZINC000568661032 326371664 /nfs/dbraw/zinc/37/16/64/326371664.db2.gz CZOXEIGCMPJDIC-UHFFFAOYSA-N 1 2 249.314 0.854 20 0 BCADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000568815549 326377998 /nfs/dbraw/zinc/37/79/98/326377998.db2.gz ITHCAOPSGZYANP-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nccn1C ZINC000568917845 326382474 /nfs/dbraw/zinc/38/24/74/326382474.db2.gz JCPYYDNEXPVRRI-LLVKDONJSA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nccn1C ZINC000568917845 326382475 /nfs/dbraw/zinc/38/24/75/326382475.db2.gz JCPYYDNEXPVRRI-LLVKDONJSA-N 1 2 241.335 0.638 20 0 BCADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cn(C)nn2)[nH+]1 ZINC000573097443 326429565 /nfs/dbraw/zinc/42/95/65/326429565.db2.gz KYRRCLNPNDKMGH-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682516084 487973826 /nfs/dbraw/zinc/97/38/26/487973826.db2.gz ISXFFWNQPWGNDC-ZJUUUORDSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1O ZINC000682519850 487975432 /nfs/dbraw/zinc/97/54/32/487975432.db2.gz BKCZZHDXYUKSSO-GMTAPVOTSA-N 1 2 249.314 0.285 20 0 BCADLO O=C(NCc1ccno1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525092 487976562 /nfs/dbraw/zinc/97/65/62/487976562.db2.gz GUKWQWVJQICOES-SECBINFHSA-N 1 2 246.270 0.750 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)CCO ZINC000134284951 487977821 /nfs/dbraw/zinc/97/78/21/487977821.db2.gz CQAFUXXPZFJFKT-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)CCO ZINC000134284951 487977827 /nfs/dbraw/zinc/97/78/27/487977827.db2.gz CQAFUXXPZFJFKT-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO O[C@@H]1C[N@H+](C[C@H]2CCOC2)CC(F)(F)C1 ZINC000682543946 487981863 /nfs/dbraw/zinc/98/18/63/487981863.db2.gz MAXMJPVASCRDKY-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC(F)(F)C1 ZINC000682543946 487981869 /nfs/dbraw/zinc/98/18/69/487981869.db2.gz MAXMJPVASCRDKY-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)COC1 ZINC000682544888 487983735 /nfs/dbraw/zinc/98/37/35/487983735.db2.gz YIMFPWSZWONZGD-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)COC1 ZINC000682544888 487983737 /nfs/dbraw/zinc/98/37/37/487983737.db2.gz YIMFPWSZWONZGD-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)COC1 ZINC000682544887 487983394 /nfs/dbraw/zinc/98/33/94/487983394.db2.gz YIMFPWSZWONZGD-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)COC1 ZINC000682544887 487983395 /nfs/dbraw/zinc/98/33/95/487983395.db2.gz YIMFPWSZWONZGD-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1nccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000667359928 487985780 /nfs/dbraw/zinc/98/57/80/487985780.db2.gz SCAAZQFPKQBOAE-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000220555469 487989843 /nfs/dbraw/zinc/98/98/43/487989843.db2.gz QBJNZOSCXCRQEN-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000220555469 487989847 /nfs/dbraw/zinc/98/98/47/487989847.db2.gz QBJNZOSCXCRQEN-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1ncc(C2CC2)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000668603384 487996400 /nfs/dbraw/zinc/99/64/00/487996400.db2.gz DJGJYABGBDLSHT-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO C[C@H]1OCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665709414 487996356 /nfs/dbraw/zinc/99/63/56/487996356.db2.gz KBTQXAPJXZLFGR-SFYZADRCSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H]1OCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665709414 487996359 /nfs/dbraw/zinc/99/63/59/487996359.db2.gz KBTQXAPJXZLFGR-SFYZADRCSA-N 1 2 236.275 0.870 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000668604876 487998666 /nfs/dbraw/zinc/99/86/66/487998666.db2.gz VQANDJNGPRCTTD-BDAKNGLRSA-N 1 2 223.276 0.841 20 0 BCADLO CCOC[C@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602915244 488002300 /nfs/dbraw/zinc/00/23/00/488002300.db2.gz KVURTXLLSBENBX-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602915244 488002304 /nfs/dbraw/zinc/00/23/04/488002304.db2.gz KVURTXLLSBENBX-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)CC1CC1 ZINC000677237720 488003615 /nfs/dbraw/zinc/00/36/15/488003615.db2.gz YKURROQTMYYDGQ-VIFPVBQESA-N 1 2 247.302 0.936 20 0 BCADLO CN(CCCCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000682620560 488004105 /nfs/dbraw/zinc/00/41/05/488004105.db2.gz ZQJGQPBCPMJHHV-UHFFFAOYSA-N 1 2 247.302 0.871 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661743042 488004442 /nfs/dbraw/zinc/00/44/42/488004442.db2.gz CDSNUCOEONMCCY-SNVBAGLBSA-N 1 2 212.297 0.408 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661743042 488004445 /nfs/dbraw/zinc/00/44/45/488004445.db2.gz CDSNUCOEONMCCY-SNVBAGLBSA-N 1 2 212.297 0.408 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2cccc(OC)c2C1 ZINC000074450695 488007043 /nfs/dbraw/zinc/00/70/43/488007043.db2.gz LEDLQZLVYNGVCI-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO CNC(=O)C[N@H+]1CCc2cccc(OC)c2C1 ZINC000074450695 488007049 /nfs/dbraw/zinc/00/70/49/488007049.db2.gz LEDLQZLVYNGVCI-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO O=C1C[N@H+](CCC[C@@H]2CCOC2)CCN1 ZINC000682672330 488009007 /nfs/dbraw/zinc/00/90/07/488009007.db2.gz BCCAESGPSLBCIQ-SNVBAGLBSA-N 1 2 212.293 0.235 20 0 BCADLO O=C1C[N@@H+](CCC[C@@H]2CCOC2)CCN1 ZINC000682672330 488009010 /nfs/dbraw/zinc/00/90/10/488009010.db2.gz BCCAESGPSLBCIQ-SNVBAGLBSA-N 1 2 212.293 0.235 20 0 BCADLO C[C@@](O)(CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000677300235 488010704 /nfs/dbraw/zinc/01/07/04/488010704.db2.gz ZKZPNWYUZUPMQG-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO Cn1ncc2c1nc(NC1(CO)CCC1)[nH+]c2N ZINC000195268428 488012327 /nfs/dbraw/zinc/01/23/27/488012327.db2.gz LVFNYJCCYHUTQO-UHFFFAOYSA-N 1 2 248.290 0.272 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CON(CC)C2=O)CCS1 ZINC000682678408 488012815 /nfs/dbraw/zinc/01/28/15/488012815.db2.gz SBTFGTMLFOOQHG-VHSXEESVSA-N 1 2 244.360 0.976 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CON(CC)C2=O)CCS1 ZINC000682678408 488012820 /nfs/dbraw/zinc/01/28/20/488012820.db2.gz SBTFGTMLFOOQHG-VHSXEESVSA-N 1 2 244.360 0.976 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCSC(C)(C)C2)C1=O ZINC000682678689 488013021 /nfs/dbraw/zinc/01/30/21/488013021.db2.gz ZWADKVFMJXQNAX-VIFPVBQESA-N 1 2 244.360 0.976 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCSC(C)(C)C2)C1=O ZINC000682678689 488013026 /nfs/dbraw/zinc/01/30/26/488013026.db2.gz ZWADKVFMJXQNAX-VIFPVBQESA-N 1 2 244.360 0.976 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000159263998 488016856 /nfs/dbraw/zinc/01/68/56/488016856.db2.gz UADSYLGUMZJMJT-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000159263998 488016861 /nfs/dbraw/zinc/01/68/61/488016861.db2.gz UADSYLGUMZJMJT-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667472268 488017564 /nfs/dbraw/zinc/01/75/64/488017564.db2.gz ANSCYFIRSOUOQM-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667472268 488017567 /nfs/dbraw/zinc/01/75/67/488017567.db2.gz ANSCYFIRSOUOQM-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000159290942 488019527 /nfs/dbraw/zinc/01/95/27/488019527.db2.gz IQVAOJDHDCUHAU-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000159290942 488019530 /nfs/dbraw/zinc/01/95/30/488019530.db2.gz IQVAOJDHDCUHAU-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682776440 488037919 /nfs/dbraw/zinc/03/79/19/488037919.db2.gz NILGSRGZBSXJGL-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682776440 488037924 /nfs/dbraw/zinc/03/79/24/488037924.db2.gz NILGSRGZBSXJGL-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO CCc1nc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000355086698 488039377 /nfs/dbraw/zinc/03/93/77/488039377.db2.gz KKLVUQDLPNUJMQ-VHSXEESVSA-N 1 2 237.351 0.892 20 0 BCADLO CCc1nc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000355086698 488039378 /nfs/dbraw/zinc/03/93/78/488039378.db2.gz KKLVUQDLPNUJMQ-VHSXEESVSA-N 1 2 237.351 0.892 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1nn(C)c2ccccc12 ZINC000682791440 488042009 /nfs/dbraw/zinc/04/20/09/488042009.db2.gz PXFBCQPAVRGJOW-UHFFFAOYSA-N 1 2 246.314 0.881 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1nn(C)c2ccccc12 ZINC000682791440 488042011 /nfs/dbraw/zinc/04/20/11/488042011.db2.gz PXFBCQPAVRGJOW-UHFFFAOYSA-N 1 2 246.314 0.881 20 0 BCADLO O=C(Nc1cnns1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682824969 488047136 /nfs/dbraw/zinc/04/71/36/488047136.db2.gz KJPFDFDEIWLNAC-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2ncccn2)C1 ZINC000401704352 488049195 /nfs/dbraw/zinc/04/91/95/488049195.db2.gz CKPOYVQMFGBWDG-LBPRGKRZSA-N 1 2 237.303 0.450 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ncccn2)C1 ZINC000401704352 488049197 /nfs/dbraw/zinc/04/91/97/488049197.db2.gz CKPOYVQMFGBWDG-LBPRGKRZSA-N 1 2 237.303 0.450 20 0 BCADLO Cc1[nH+]cc(CN(C)[C@H]2CCOC2)n1C ZINC000667597241 488056150 /nfs/dbraw/zinc/05/61/50/488056150.db2.gz HCKCGOYGFOALDF-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)[C@H]2CCNC2=O)[nH+]1 ZINC000677510772 488060709 /nfs/dbraw/zinc/06/07/09/488060709.db2.gz LAAWPOYCLVDTKR-VIFPVBQESA-N 1 2 245.286 0.591 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@](F)(CO)C1 ZINC000656185825 488063092 /nfs/dbraw/zinc/06/30/92/488063092.db2.gz NQVBZUQUOHKVIV-NSHDSACASA-N 1 2 241.266 0.704 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)NCCF ZINC000670082150 488068580 /nfs/dbraw/zinc/06/85/80/488068580.db2.gz VAMAMLUVGADXPQ-UHFFFAOYSA-N 1 2 226.255 0.661 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnco1 ZINC000677538180 488068328 /nfs/dbraw/zinc/06/83/28/488068328.db2.gz IYSAERFHQLJZGW-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N1CCCC1 ZINC000136022003 488070303 /nfs/dbraw/zinc/07/03/03/488070303.db2.gz BXTRYTWWXNGENG-UHFFFAOYSA-N 1 2 227.308 0.124 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)ncn1 ZINC000677560518 488073669 /nfs/dbraw/zinc/07/36/69/488073669.db2.gz ULVYSHYPLSBWMC-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCCOCC1 ZINC000515498011 488077434 /nfs/dbraw/zinc/07/74/34/488077434.db2.gz DWCMQAOEYOHVNV-UHFFFAOYSA-N 1 2 248.290 0.003 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000667679907 488084474 /nfs/dbraw/zinc/08/44/74/488084474.db2.gz RDULKWVKHDPLPT-SNVBAGLBSA-N 1 2 240.259 0.690 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)nn1C ZINC000677715097 488098252 /nfs/dbraw/zinc/09/82/52/488098252.db2.gz NRVYYYBXDHTRIE-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)nn1C ZINC000677715097 488098257 /nfs/dbraw/zinc/09/82/57/488098257.db2.gz NRVYYYBXDHTRIE-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1ccnc(C[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000683023887 488099258 /nfs/dbraw/zinc/09/92/58/488099258.db2.gz YQLNCPZIZMKKPL-ZDUSSCGKSA-N 1 2 246.314 0.947 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000683038782 488101741 /nfs/dbraw/zinc/10/17/41/488101741.db2.gz UUNWEPUKIHTGMG-DTWKUNHWSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H](CO)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000683038782 488101744 /nfs/dbraw/zinc/10/17/44/488101744.db2.gz UUNWEPUKIHTGMG-DTWKUNHWSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000677728815 488106427 /nfs/dbraw/zinc/10/64/27/488106427.db2.gz XNLLMNNLCPYGNK-SCZZXKLOSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000677728815 488106431 /nfs/dbraw/zinc/10/64/31/488106431.db2.gz XNLLMNNLCPYGNK-SCZZXKLOSA-N 1 2 236.319 0.648 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1C1CC1 ZINC000677728710 488106451 /nfs/dbraw/zinc/10/64/51/488106451.db2.gz NMDYJYRVKNOSPP-KCJUWKMLSA-N 1 2 236.319 0.877 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1C1CC1 ZINC000677728710 488106456 /nfs/dbraw/zinc/10/64/56/488106456.db2.gz NMDYJYRVKNOSPP-KCJUWKMLSA-N 1 2 236.319 0.877 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667759596 488109581 /nfs/dbraw/zinc/10/95/81/488109581.db2.gz PDGYAUZEQKVEHK-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667759596 488109584 /nfs/dbraw/zinc/10/95/84/488109584.db2.gz PDGYAUZEQKVEHK-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](CC)OC ZINC000397005041 487536964 /nfs/dbraw/zinc/53/69/64/487536964.db2.gz KEKPYCKOLDHJMV-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](CC)OC ZINC000397005041 487536968 /nfs/dbraw/zinc/53/69/68/487536968.db2.gz KEKPYCKOLDHJMV-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO CN1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000677734867 488112395 /nfs/dbraw/zinc/11/23/95/488112395.db2.gz YEAXBODHFIKBIY-QMMMGPOBSA-N 1 2 230.258 0.948 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677735857 488114103 /nfs/dbraw/zinc/11/41/03/488114103.db2.gz VHCXDORJIMBLJD-LURJTMIESA-N 1 2 217.223 0.297 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000677735857 488114106 /nfs/dbraw/zinc/11/41/06/488114106.db2.gz VHCXDORJIMBLJD-LURJTMIESA-N 1 2 217.223 0.297 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668688699 488118011 /nfs/dbraw/zinc/11/80/11/488118011.db2.gz PDKLCQHFQKWOJQ-GDNZZTSVSA-N 1 2 249.314 0.672 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1cn(C)nn1 ZINC000677763968 488120152 /nfs/dbraw/zinc/12/01/52/488120152.db2.gz JEZGLBNNROYZLC-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1cn(C)nn1 ZINC000677763968 488120159 /nfs/dbraw/zinc/12/01/59/488120159.db2.gz JEZGLBNNROYZLC-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H]1C1CC1 ZINC000677797445 488123711 /nfs/dbraw/zinc/12/37/11/488123711.db2.gz WXESSDQEOGAHLT-LLVKDONJSA-N 1 2 235.287 0.521 20 0 BCADLO COc1ccnc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000677797945 488124050 /nfs/dbraw/zinc/12/40/50/488124050.db2.gz MAYFIZXXOUAPLT-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CN(CC(=O)N1CCCCC1)Cc1[nH]cc[nH+]1 ZINC000677801613 488124809 /nfs/dbraw/zinc/12/48/09/488124809.db2.gz FOPPKAJAAJBNPM-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO Cc1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000677802864 488126127 /nfs/dbraw/zinc/12/61/27/488126127.db2.gz UYCXLPAOQJBUOY-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2c1ncn2C ZINC000683190981 488126685 /nfs/dbraw/zinc/12/66/85/488126685.db2.gz TVUSXHVHEMLPNG-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000041979615 488128515 /nfs/dbraw/zinc/12/85/15/488128515.db2.gz CJFZNIGDTNTWDE-UHFFFAOYSA-N 1 2 246.270 0.844 20 0 BCADLO C1COC[C@H]([N@@H+]2CCc3nn[nH]c3C2)C1 ZINC000683222391 488132268 /nfs/dbraw/zinc/13/22/68/488132268.db2.gz CMXZFEBDGITCCX-MRVPVSSYSA-N 1 2 208.265 0.342 20 0 BCADLO C1COC[C@H]([N@H+]2CCc3nn[nH]c3C2)C1 ZINC000683222391 488132272 /nfs/dbraw/zinc/13/22/72/488132272.db2.gz CMXZFEBDGITCCX-MRVPVSSYSA-N 1 2 208.265 0.342 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3n[nH]nc3C2)cc1=O ZINC000683222311 488132602 /nfs/dbraw/zinc/13/26/02/488132602.db2.gz HJXFZHKONWHQDG-UHFFFAOYSA-N 1 2 245.286 0.062 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3n[nH]nc3C2)cc1=O ZINC000683222311 488132604 /nfs/dbraw/zinc/13/26/04/488132604.db2.gz HJXFZHKONWHQDG-UHFFFAOYSA-N 1 2 245.286 0.062 20 0 BCADLO COC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000526003196 487538005 /nfs/dbraw/zinc/53/80/05/487538005.db2.gz KTLDCYLEJUILQL-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO COC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000526003196 487538009 /nfs/dbraw/zinc/53/80/09/487538009.db2.gz KTLDCYLEJUILQL-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N)nc1 ZINC000168679421 487538048 /nfs/dbraw/zinc/53/80/48/487538048.db2.gz OCVQQRBIRMSIOO-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N)nc1 ZINC000168679421 487538054 /nfs/dbraw/zinc/53/80/54/487538054.db2.gz OCVQQRBIRMSIOO-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000660706496 487539588 /nfs/dbraw/zinc/53/95/88/487539588.db2.gz WLISLKDCWHEZJK-KCJUWKMLSA-N 1 2 238.291 0.397 20 0 BCADLO OC[C@@H]1COCCN1Cc1cn2ccccc2[nH+]1 ZINC000168784281 487540420 /nfs/dbraw/zinc/54/04/20/487540420.db2.gz CTIKMULDLRERTH-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO C1=C(C[N@@H+]2CCc3n[nH]nc3C2)COCC1 ZINC000668790627 487542641 /nfs/dbraw/zinc/54/26/41/487542641.db2.gz COESYQMZCVKXNE-UHFFFAOYSA-N 1 2 220.276 0.510 20 0 BCADLO C1=C(C[N@H+]2CCc3n[nH]nc3C2)COCC1 ZINC000668790627 487542643 /nfs/dbraw/zinc/54/26/43/487542643.db2.gz COESYQMZCVKXNE-UHFFFAOYSA-N 1 2 220.276 0.510 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000668790875 487544134 /nfs/dbraw/zinc/54/41/34/487544134.db2.gz TWRQLERPKNAXSO-UHFFFAOYSA-N 1 2 238.335 0.885 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000668790875 487544143 /nfs/dbraw/zinc/54/41/43/487544143.db2.gz TWRQLERPKNAXSO-UHFFFAOYSA-N 1 2 238.335 0.885 20 0 BCADLO C[C@@H]1C[N@H+](CCn2ccccc2=O)CCC1=O ZINC000168876252 487549315 /nfs/dbraw/zinc/54/93/15/487549315.db2.gz UQKIMBLDLGMVDL-LLVKDONJSA-N 1 2 234.299 0.759 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2ccccc2=O)CCC1=O ZINC000168876252 487549318 /nfs/dbraw/zinc/54/93/18/487549318.db2.gz UQKIMBLDLGMVDL-LLVKDONJSA-N 1 2 234.299 0.759 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000685569293 487550107 /nfs/dbraw/zinc/55/01/07/487550107.db2.gz GNCCCOPCGNGECW-SECBINFHSA-N 1 2 223.276 0.612 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000685569293 487550111 /nfs/dbraw/zinc/55/01/11/487550111.db2.gz GNCCCOPCGNGECW-SECBINFHSA-N 1 2 223.276 0.612 20 0 BCADLO FC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000680066160 487530755 /nfs/dbraw/zinc/53/07/55/487530755.db2.gz NEPZTXKEOBXQCG-UHFFFAOYSA-N 1 2 219.223 0.820 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC(C)(C)CO ZINC000451242352 487555025 /nfs/dbraw/zinc/55/50/25/487555025.db2.gz IRQOPZMDQWAYCV-UHFFFAOYSA-N 1 2 239.323 0.458 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC(C)(C)CO ZINC000451242352 487555027 /nfs/dbraw/zinc/55/50/27/487555027.db2.gz IRQOPZMDQWAYCV-UHFFFAOYSA-N 1 2 239.323 0.458 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1C[C@H](O)C1 ZINC000666132563 487531052 /nfs/dbraw/zinc/53/10/52/487531052.db2.gz YACKJKSBRHGGQL-MGCOHNPYSA-N 1 2 246.270 0.979 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000668787635 487532782 /nfs/dbraw/zinc/53/27/82/487532782.db2.gz FTIFOJPFNQEWCJ-UHFFFAOYSA-N 1 2 233.315 0.748 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000668787635 487532783 /nfs/dbraw/zinc/53/27/83/487532783.db2.gz FTIFOJPFNQEWCJ-UHFFFAOYSA-N 1 2 233.315 0.748 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)Cn1cccn1 ZINC000670983107 487533163 /nfs/dbraw/zinc/53/31/63/487533163.db2.gz HCSMCENEAVHPLC-SNVBAGLBSA-N 1 2 235.291 0.099 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)Cn1cccn1 ZINC000670983107 487533171 /nfs/dbraw/zinc/53/31/71/487533171.db2.gz HCSMCENEAVHPLC-SNVBAGLBSA-N 1 2 235.291 0.099 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn2c1CCC2 ZINC000668788305 487533568 /nfs/dbraw/zinc/53/35/68/487533568.db2.gz HNTQBADHPLEWMZ-UHFFFAOYSA-N 1 2 222.292 0.007 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000668788305 487533573 /nfs/dbraw/zinc/53/35/73/487533573.db2.gz HNTQBADHPLEWMZ-UHFFFAOYSA-N 1 2 222.292 0.007 20 0 BCADLO Cc1cn(C)nc1NC(=O)NCCn1cc[nH+]c1 ZINC000668222892 487474116 /nfs/dbraw/zinc/47/41/16/487474116.db2.gz OOMJPNXXDWKLPD-UHFFFAOYSA-N 1 2 248.290 0.747 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000673927643 487482038 /nfs/dbraw/zinc/48/20/38/487482038.db2.gz KUKYSAAZVUMJKS-MRVPVSSYSA-N 1 2 222.292 0.509 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927643 487482042 /nfs/dbraw/zinc/48/20/42/487482042.db2.gz KUKYSAAZVUMJKS-MRVPVSSYSA-N 1 2 222.292 0.509 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000673917597 487477751 /nfs/dbraw/zinc/47/77/51/487477751.db2.gz WOGVAAXEZCGRJP-LLVKDONJSA-N 1 2 249.318 0.174 20 0 BCADLO CCc1ocnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000673934754 487484064 /nfs/dbraw/zinc/48/40/64/487484064.db2.gz IFDOBRQEHLJREH-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CCc1ocnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000673934754 487484068 /nfs/dbraw/zinc/48/40/68/487484068.db2.gz IFDOBRQEHLJREH-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CCOC[C@@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000679873638 487478925 /nfs/dbraw/zinc/47/89/25/487478925.db2.gz YVTRIAKODRKWCL-NSHDSACASA-N 1 2 239.319 0.405 20 0 BCADLO CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)COC1 ZINC000679886284 487480453 /nfs/dbraw/zinc/48/04/53/487480453.db2.gz VRUUAIXGALJGAS-UHFFFAOYSA-N 1 2 248.282 0.708 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn2cccnc2n1 ZINC000673935212 487485867 /nfs/dbraw/zinc/48/58/67/487485867.db2.gz LUNYDWCIIXVUHA-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn2cccnc2n1 ZINC000673935212 487485875 /nfs/dbraw/zinc/48/58/75/487485875.db2.gz LUNYDWCIIXVUHA-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1n[nH]c2c1CCCC2 ZINC000673936232 487486217 /nfs/dbraw/zinc/48/62/17/487486217.db2.gz VOUHDSSJQZSZKF-UHFFFAOYSA-N 1 2 245.286 0.942 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1n[nH]c2c1CCCC2 ZINC000673936232 487486219 /nfs/dbraw/zinc/48/62/19/487486219.db2.gz VOUHDSSJQZSZKF-UHFFFAOYSA-N 1 2 245.286 0.942 20 0 BCADLO C[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330346997 487488119 /nfs/dbraw/zinc/48/81/19/487488119.db2.gz HGKUYJUAEDGXFQ-YUMQZZPRSA-N 1 2 234.259 0.343 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000668758710 487492457 /nfs/dbraw/zinc/49/24/57/487492457.db2.gz FYFCDHXUHOAVSF-JTQLQIEISA-N 1 2 221.260 0.037 20 0 BCADLO Cc1cc(NC(=O)NC2(CCO)CC2)cc[nH+]1 ZINC000455032648 487499188 /nfs/dbraw/zinc/49/91/88/487499188.db2.gz CCKOZMYVLMOMFB-UHFFFAOYSA-N 1 2 235.287 0.848 20 0 BCADLO CCc1cc(N[C@H](C)C(=O)NCCF)nc[nH+]1 ZINC000669661163 487509945 /nfs/dbraw/zinc/50/99/45/487509945.db2.gz NBBXQDKUPQVUOQ-MRVPVSSYSA-N 1 2 240.282 0.925 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1c(C)cnn1C ZINC000685411267 487517002 /nfs/dbraw/zinc/51/70/02/487517002.db2.gz TXLBZNQLOIXVJS-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1c(C)cnn1C ZINC000685411267 487517004 /nfs/dbraw/zinc/51/70/04/487517004.db2.gz TXLBZNQLOIXVJS-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO Cc1nc(C[N@H+](C)CCOCCO)co1 ZINC000381888215 487525182 /nfs/dbraw/zinc/52/51/82/487525182.db2.gz QBRHNIKDFDOVLE-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO Cc1nc(C[N@@H+](C)CCOCCO)co1 ZINC000381888215 487525188 /nfs/dbraw/zinc/52/51/88/487525188.db2.gz QBRHNIKDFDOVLE-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO c1nc2cncc(N3CCn4c[nH+]cc4C3)n2n1 ZINC000685925354 487598350 /nfs/dbraw/zinc/59/83/50/487598350.db2.gz MHTFPIAVDRAHJW-UHFFFAOYSA-N 1 2 241.258 0.341 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(C)COC2)[nH]1 ZINC000674910922 487653205 /nfs/dbraw/zinc/65/32/05/487653205.db2.gz PEUABNFPWCQYRO-UHFFFAOYSA-N 1 2 210.281 0.581 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(C)COC2)[nH]1 ZINC000674910922 487653203 /nfs/dbraw/zinc/65/32/03/487653203.db2.gz PEUABNFPWCQYRO-UHFFFAOYSA-N 1 2 210.281 0.581 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000680876252 487663149 /nfs/dbraw/zinc/66/31/49/487663149.db2.gz PAMJLXHSNHNAFN-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000680876252 487663151 /nfs/dbraw/zinc/66/31/51/487663151.db2.gz PAMJLXHSNHNAFN-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc2ccccn12 ZINC000675246181 487683579 /nfs/dbraw/zinc/68/35/79/487683579.db2.gz PZOPJXWQMYDJET-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc2ccccn12 ZINC000675246181 487683584 /nfs/dbraw/zinc/68/35/84/487683584.db2.gz PZOPJXWQMYDJET-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCNC(=O)CN(C)Cc1c[nH+]c2ccccn12 ZINC000675246181 487683588 /nfs/dbraw/zinc/68/35/88/487683588.db2.gz PZOPJXWQMYDJET-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(O)CCC1 ZINC000681259381 487762166 /nfs/dbraw/zinc/76/21/66/487762166.db2.gz RVVVTAAZEZYARR-NSHDSACASA-N 1 2 249.314 0.962 20 0 BCADLO C[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)[NH+](C)C ZINC000675940743 487795042 /nfs/dbraw/zinc/79/50/42/487795042.db2.gz ISYGOMQIOXNKOS-WPRPVWTQSA-N 1 2 236.319 0.853 20 0 BCADLO COC[C@@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000676077992 487810294 /nfs/dbraw/zinc/81/02/94/487810294.db2.gz VSXPDCKQQNADQP-MRVPVSSYSA-N 1 2 239.323 0.717 20 0 BCADLO COC[C@@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000676077992 487810300 /nfs/dbraw/zinc/81/03/00/487810300.db2.gz VSXPDCKQQNADQP-MRVPVSSYSA-N 1 2 239.323 0.717 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)[C@@H](C)CO)[nH+]1 ZINC000676080582 487810357 /nfs/dbraw/zinc/81/03/57/487810357.db2.gz TUULMCKOMAYQCZ-JGVFFNPUSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N[C@H](C)[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000676080582 487810364 /nfs/dbraw/zinc/81/03/64/487810364.db2.gz TUULMCKOMAYQCZ-JGVFFNPUSA-N 1 2 239.323 0.675 20 0 BCADLO O=C(c1cc[nH]c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340434 487839847 /nfs/dbraw/zinc/83/98/47/487839847.db2.gz FKJSZZQRYUZHGH-LBPRGKRZSA-N 1 2 249.314 0.561 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cn(C3CCC3)nn1)CC2 ZINC000668600081 487989592 /nfs/dbraw/zinc/98/95/92/487989592.db2.gz DALUULRURITBDM-GXFFZTMASA-N 1 2 248.330 0.960 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CCC3)nn1)CC2 ZINC000668600081 487989597 /nfs/dbraw/zinc/98/95/97/487989597.db2.gz DALUULRURITBDM-GXFFZTMASA-N 1 2 248.330 0.960 20 0 BCADLO COCCCOCCC(=O)NCc1[nH]cc[nH+]1 ZINC000668603141 487995907 /nfs/dbraw/zinc/99/59/07/487995907.db2.gz CLNYRGNZBXNVES-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO C[C@H](O)C1([NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000668701535 488137772 /nfs/dbraw/zinc/13/77/72/488137772.db2.gz QFIRHRSUSMDSIA-QMMMGPOBSA-N 1 2 239.323 0.431 20 0 BCADLO CC(C)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670406579 488147671 /nfs/dbraw/zinc/14/76/71/488147671.db2.gz XHCQYUBPQMPXRE-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO CC(C)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670406579 488147674 /nfs/dbraw/zinc/14/76/74/488147674.db2.gz XHCQYUBPQMPXRE-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnc2[nH]cnc2c1 ZINC000677887722 488148336 /nfs/dbraw/zinc/14/83/36/488148336.db2.gz FFBZGTRGPFXIOK-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683402856 488157688 /nfs/dbraw/zinc/15/76/88/488157688.db2.gz ZPRQHBXKRXJKDO-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO CCCn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC000677995028 488171566 /nfs/dbraw/zinc/17/15/66/488171566.db2.gz ZQCHQMIMRHMFIT-UHFFFAOYSA-N 1 2 248.290 0.315 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1csc(C)c1 ZINC000519645721 488179446 /nfs/dbraw/zinc/17/94/46/488179446.db2.gz KLKQICZDJMXSHA-JTQLQIEISA-N 1 2 242.344 0.989 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1csc(C)c1 ZINC000519645721 488179447 /nfs/dbraw/zinc/17/94/47/488179447.db2.gz KLKQICZDJMXSHA-JTQLQIEISA-N 1 2 242.344 0.989 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCc3[nH]cnc3C2)C1 ZINC000627372210 488182418 /nfs/dbraw/zinc/18/24/18/488182418.db2.gz GFSCRRYWHQJLIM-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627372210 488182420 /nfs/dbraw/zinc/18/24/20/488182420.db2.gz GFSCRRYWHQJLIM-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1nccs1 ZINC000683548893 488192698 /nfs/dbraw/zinc/19/26/98/488192698.db2.gz ADMAAYNVKJXKTE-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000678082597 488193298 /nfs/dbraw/zinc/19/32/98/488193298.db2.gz SUICIILFWYXRHA-NSHDSACASA-N 1 2 249.314 0.279 20 0 BCADLO Cn1ccnc1C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000678084666 488194348 /nfs/dbraw/zinc/19/43/48/488194348.db2.gz ZKSWICWSBMCVGS-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO Cn1ccnc1C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000678084666 488194351 /nfs/dbraw/zinc/19/43/51/488194351.db2.gz ZKSWICWSBMCVGS-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1nccs1 ZINC000683569706 488198609 /nfs/dbraw/zinc/19/86/09/488198609.db2.gz FSQUSZJTKKQAET-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO OC[C@@]1(F)CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668112496 488205314 /nfs/dbraw/zinc/20/53/14/488205314.db2.gz OJJNOUUUUOEBBE-GFCCVEGCSA-N 1 2 239.294 0.736 20 0 BCADLO CCn1cc(C[N@H+](CC)CC(=O)N(C)C)cn1 ZINC000678139484 488205418 /nfs/dbraw/zinc/20/54/18/488205418.db2.gz SZBTZVBKCOAPSD-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCn1cc(C[N@@H+](CC)CC(=O)N(C)C)cn1 ZINC000678139484 488205420 /nfs/dbraw/zinc/20/54/20/488205420.db2.gz SZBTZVBKCOAPSD-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccnn1C ZINC000683692088 488207914 /nfs/dbraw/zinc/20/79/14/488207914.db2.gz NZJPZGLXGXZGEL-MRVPVSSYSA-N 1 2 247.306 0.592 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000678171795 488211262 /nfs/dbraw/zinc/21/12/62/488211262.db2.gz LKIOZFKJJLJFFQ-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000678171795 488211264 /nfs/dbraw/zinc/21/12/64/488211264.db2.gz LKIOZFKJJLJFFQ-CBAPKCEASA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668162974 488211719 /nfs/dbraw/zinc/21/17/19/488211719.db2.gz NTRUYLZUSRUWEV-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668162974 488211722 /nfs/dbraw/zinc/21/17/22/488211722.db2.gz NTRUYLZUSRUWEV-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cn[nH]c1 ZINC000678179416 488213843 /nfs/dbraw/zinc/21/38/43/488213843.db2.gz AWZNJRPGDXWFMG-UHFFFAOYSA-N 1 2 210.281 0.497 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cn[nH]c1 ZINC000678179416 488213846 /nfs/dbraw/zinc/21/38/46/488213846.db2.gz AWZNJRPGDXWFMG-UHFFFAOYSA-N 1 2 210.281 0.497 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](C)[C@H](O)C2)c(C)c[nH+]1 ZINC000678191096 488215160 /nfs/dbraw/zinc/21/51/60/488215160.db2.gz AGOWYIGZLURKSO-JOYOIKCWSA-N 1 2 249.314 0.965 20 0 BCADLO Cc1ccncc1CC(=O)NCc1[nH+]ccn1C ZINC000668193788 488219876 /nfs/dbraw/zinc/21/98/76/488219876.db2.gz PNDSAUGDVWCJKW-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000683781718 488219916 /nfs/dbraw/zinc/21/99/16/488219916.db2.gz FRENSJSGNRAKGG-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000683781718 488219918 /nfs/dbraw/zinc/21/99/18/488219918.db2.gz FRENSJSGNRAKGG-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000668193632 488220053 /nfs/dbraw/zinc/22/00/53/488220053.db2.gz KKQOWCSQEVIEST-UWVGGRQHSA-N 1 2 237.303 0.851 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCOC[C@@H]1C ZINC000683784501 488221203 /nfs/dbraw/zinc/22/12/03/488221203.db2.gz GIGCDUCYJVYKOE-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCOC[C@@H]1C ZINC000683784501 488221205 /nfs/dbraw/zinc/22/12/05/488221205.db2.gz GIGCDUCYJVYKOE-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678276073 488225147 /nfs/dbraw/zinc/22/51/47/488225147.db2.gz UVZYCTWNNWTJPX-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678276073 488225149 /nfs/dbraw/zinc/22/51/49/488225149.db2.gz UVZYCTWNNWTJPX-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO CC[N@H+](Cc1cn[nH]c1)[C@H](C)CS(C)(=O)=O ZINC000678267882 488231372 /nfs/dbraw/zinc/23/13/72/488231372.db2.gz MZXAWLPENOAOSR-SECBINFHSA-N 1 2 245.348 0.665 20 0 BCADLO CC[N@@H+](Cc1cn[nH]c1)[C@H](C)CS(C)(=O)=O ZINC000678267882 488231373 /nfs/dbraw/zinc/23/13/73/488231373.db2.gz MZXAWLPENOAOSR-SECBINFHSA-N 1 2 245.348 0.665 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000672146230 488240712 /nfs/dbraw/zinc/24/07/12/488240712.db2.gz GCFWNQSETRCVLD-KOLCDFICSA-N 1 2 235.287 0.493 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147381 488240785 /nfs/dbraw/zinc/24/07/85/488240785.db2.gz MDYPODIARMACRF-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672148212 488240826 /nfs/dbraw/zinc/24/08/26/488240826.db2.gz HQOKGUSUXAHOSW-ZYHUDNBSSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000672146619 488240973 /nfs/dbraw/zinc/24/09/73/488240973.db2.gz QODXKVCLMILDGX-VIFPVBQESA-N 1 2 231.259 0.351 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(C)cn1 ZINC000683899538 488241230 /nfs/dbraw/zinc/24/12/30/488241230.db2.gz ZOJRRYBRHZAOPU-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(C)cn1 ZINC000683899538 488241232 /nfs/dbraw/zinc/24/12/32/488241232.db2.gz ZOJRRYBRHZAOPU-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCCN1Cc1cn(C)c[nH+]1 ZINC000683899538 488241234 /nfs/dbraw/zinc/24/12/34/488241234.db2.gz ZOJRRYBRHZAOPU-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000672154671 488242679 /nfs/dbraw/zinc/24/26/79/488242679.db2.gz NKDICBVIQYSWOC-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000678346054 488244025 /nfs/dbraw/zinc/24/40/25/488244025.db2.gz LNSHJJLFUAIRGA-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO CC(C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678349034 488245182 /nfs/dbraw/zinc/24/51/82/488245182.db2.gz GPDPTIDAWLBQRA-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CCn1cc(CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC000672271514 488249095 /nfs/dbraw/zinc/24/90/95/488249095.db2.gz GJUSRSKQZCWGPK-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672400283 488254097 /nfs/dbraw/zinc/25/40/97/488254097.db2.gz KYBXXHRDKQQKKZ-MFKMUULPSA-N 1 2 249.314 0.475 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCc3c[nH]nc3C2)C1=O ZINC000679318958 488334495 /nfs/dbraw/zinc/33/44/95/488334495.db2.gz OELDFZBEHBAJAS-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCc3c[nH]nc3C2)C1=O ZINC000679318958 488334498 /nfs/dbraw/zinc/33/44/98/488334498.db2.gz OELDFZBEHBAJAS-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCc3c[nH]nc3C2)C1=O ZINC000679318957 488334788 /nfs/dbraw/zinc/33/47/88/488334788.db2.gz OELDFZBEHBAJAS-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCc3c[nH]nc3C2)C1=O ZINC000679318957 488334791 /nfs/dbraw/zinc/33/47/91/488334791.db2.gz OELDFZBEHBAJAS-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO C[C@@H](CO)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678627437 488274841 /nfs/dbraw/zinc/27/48/41/488274841.db2.gz SKBONXYEXKNRDH-VXGBXAGGSA-N 1 2 228.336 0.021 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000678718701 488278300 /nfs/dbraw/zinc/27/83/00/488278300.db2.gz MXYFVXUASVQDRW-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000678718701 488278303 /nfs/dbraw/zinc/27/83/03/488278303.db2.gz MXYFVXUASVQDRW-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000678721998 488279047 /nfs/dbraw/zinc/27/90/47/488279047.db2.gz PROQHBZYNZOWKV-YFKPBYRVSA-N 1 2 218.207 0.597 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000678721998 488279050 /nfs/dbraw/zinc/27/90/50/488279050.db2.gz PROQHBZYNZOWKV-YFKPBYRVSA-N 1 2 218.207 0.597 20 0 BCADLO NC(=O)[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678789033 488283565 /nfs/dbraw/zinc/28/35/65/488283565.db2.gz SGMDAIIPSSLXOZ-QMMMGPOBSA-N 1 2 223.251 0.922 20 0 BCADLO CCc1cc(N[C@@H](CCOC)C(N)=O)nc[nH+]1 ZINC000678831739 488289364 /nfs/dbraw/zinc/28/93/64/488289364.db2.gz VQGDTAZOZUZLCR-VIFPVBQESA-N 1 2 238.291 0.341 20 0 BCADLO Cc1cc(N2CC[C@H](CC(N)=O)C2)nc[nH+]1 ZINC000673493044 488290672 /nfs/dbraw/zinc/29/06/72/488290672.db2.gz ZZBPTFYBFHSLBR-SECBINFHSA-N 1 2 220.276 0.487 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccn(C(F)F)n1 ZINC000678849275 488290767 /nfs/dbraw/zinc/29/07/67/488290767.db2.gz GQVRMIWVDBOPIC-UHFFFAOYSA-N 1 2 241.201 0.931 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccn(C(F)F)n1 ZINC000678849275 488290769 /nfs/dbraw/zinc/29/07/69/488290769.db2.gz GQVRMIWVDBOPIC-UHFFFAOYSA-N 1 2 241.201 0.931 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2cc(=O)[nH][nH]2)c[nH+]1 ZINC000673543710 488295548 /nfs/dbraw/zinc/29/55/48/488295548.db2.gz CLDVUFWYSVRRGS-UHFFFAOYSA-N 1 2 249.274 0.104 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCn1cccc1 ZINC000673659526 488300849 /nfs/dbraw/zinc/30/08/49/488300849.db2.gz URCWXBOTPNHESU-UHFFFAOYSA-N 1 2 232.287 0.928 20 0 BCADLO COCc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000679131325 488311621 /nfs/dbraw/zinc/31/16/21/488311621.db2.gz JICLJVGDJPVOJI-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000679131325 488311623 /nfs/dbraw/zinc/31/16/23/488311623.db2.gz JICLJVGDJPVOJI-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000679153493 488313805 /nfs/dbraw/zinc/31/38/05/488313805.db2.gz QYGSYXXTSDGDKF-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000679153493 488313807 /nfs/dbraw/zinc/31/38/07/488313807.db2.gz QYGSYXXTSDGDKF-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)nn1 ZINC000679173499 488314424 /nfs/dbraw/zinc/31/44/24/488314424.db2.gz JYFIQUJZUNBKSF-UHFFFAOYSA-N 1 2 244.254 0.868 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)O ZINC000684453808 488315034 /nfs/dbraw/zinc/31/50/34/488315034.db2.gz QLXHVXDZWFMCKY-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679218629 488318061 /nfs/dbraw/zinc/31/80/61/488318061.db2.gz DHTVJQFLLJRGKM-GHMZBOCLSA-N 1 2 246.326 0.819 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679218629 488318062 /nfs/dbraw/zinc/31/80/62/488318062.db2.gz DHTVJQFLLJRGKM-GHMZBOCLSA-N 1 2 246.326 0.819 20 0 BCADLO Cc1cc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]n1C ZINC000520634963 488319541 /nfs/dbraw/zinc/31/95/41/488319541.db2.gz QOKRTXHPSKXGSZ-UHFFFAOYSA-N 1 2 233.275 0.445 20 0 BCADLO Cc1cc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]n1C ZINC000520634963 488319542 /nfs/dbraw/zinc/31/95/42/488319542.db2.gz QOKRTXHPSKXGSZ-UHFFFAOYSA-N 1 2 233.275 0.445 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679227830 488322527 /nfs/dbraw/zinc/32/25/27/488322527.db2.gz TZJUVSDRXHYSNN-IUCAKERBSA-N 1 2 202.273 0.802 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679227830 488322528 /nfs/dbraw/zinc/32/25/28/488322528.db2.gz TZJUVSDRXHYSNN-IUCAKERBSA-N 1 2 202.273 0.802 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc2n1CCOC2 ZINC000684771222 488341225 /nfs/dbraw/zinc/34/12/25/488341225.db2.gz MACCNPSQTNLHCN-IUCAKERBSA-N 1 2 222.292 0.791 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1F ZINC000679359911 488343533 /nfs/dbraw/zinc/34/35/33/488343533.db2.gz RYEYHSLSOWZFCN-WCBMZHEXSA-N 1 2 212.272 0.995 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1F ZINC000679359911 488343534 /nfs/dbraw/zinc/34/35/34/488343534.db2.gz RYEYHSLSOWZFCN-WCBMZHEXSA-N 1 2 212.272 0.995 20 0 BCADLO COc1cccnc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000684833695 488347430 /nfs/dbraw/zinc/34/74/30/488347430.db2.gz NORVEXDPGSPJFN-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CCS1(=O)=O ZINC000684837691 488348401 /nfs/dbraw/zinc/34/84/01/488348401.db2.gz VNHGAHQXQBGUQC-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@H]2COC)no1 ZINC000679536540 488357089 /nfs/dbraw/zinc/35/70/89/488357089.db2.gz NRDRBSXFBWHBRV-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@H]2COC)no1 ZINC000679536540 488357091 /nfs/dbraw/zinc/35/70/91/488357091.db2.gz NRDRBSXFBWHBRV-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000679539687 488357259 /nfs/dbraw/zinc/35/72/59/488357259.db2.gz FNPMHWZKYNHMOF-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000679539687 488357261 /nfs/dbraw/zinc/35/72/61/488357261.db2.gz FNPMHWZKYNHMOF-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000679647129 488362292 /nfs/dbraw/zinc/36/22/92/488362292.db2.gz FWAJDWQAOZVWJM-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1nc(NC2CC(F)(F)C2)nc(N)[nH+]1 ZINC000631247200 490103930 /nfs/dbraw/zinc/10/39/30/490103930.db2.gz WLXTTWMMWDGWCG-UHFFFAOYSA-N 1 2 215.207 0.972 20 0 BCADLO Cc1nc(N)nc(NC2CC(F)(F)C2)[nH+]1 ZINC000631247200 490103935 /nfs/dbraw/zinc/10/39/35/490103935.db2.gz WLXTTWMMWDGWCG-UHFFFAOYSA-N 1 2 215.207 0.972 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cn2c(n1)CCC2 ZINC000335471008 490110103 /nfs/dbraw/zinc/11/01/03/490110103.db2.gz AFSHIBPCGIOAEX-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO CCCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820002 490111736 /nfs/dbraw/zinc/11/17/36/490111736.db2.gz JLCPDOAGDKNEBZ-UHFFFAOYSA-N 1 2 217.294 0.629 20 0 BCADLO COC(=O)c1nccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000591913771 490127043 /nfs/dbraw/zinc/12/70/43/490127043.db2.gz JASFMUMMXMBQRD-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CO[C@@H](C[NH+]1CCS(=O)CC1)C1CCC1 ZINC000595315694 490159450 /nfs/dbraw/zinc/15/94/50/490159450.db2.gz ROKRGUVRAXEGNU-NSHDSACASA-N 1 2 231.361 0.866 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000555880364 490197073 /nfs/dbraw/zinc/19/70/73/490197073.db2.gz LETWNKOOXWPGIP-UWVGGRQHSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000555880364 490197076 /nfs/dbraw/zinc/19/70/76/490197076.db2.gz LETWNKOOXWPGIP-UWVGGRQHSA-N 1 2 224.308 0.788 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000653737965 490247935 /nfs/dbraw/zinc/24/79/35/490247935.db2.gz DGMFOBXEIQEQBV-HTQZYQBOSA-N 1 2 225.292 0.881 20 0 BCADLO O=C1C[N@H+](Cc2cncnc2)[C@H]2CCCC[C@H]2N1 ZINC000123576745 490250535 /nfs/dbraw/zinc/25/05/35/490250535.db2.gz CAWWRXYDXOEHOL-NEPJUHHUSA-N 1 2 246.314 0.720 20 0 BCADLO O=C1C[N@@H+](Cc2cncnc2)[C@H]2CCCC[C@H]2N1 ZINC000123576745 490250538 /nfs/dbraw/zinc/25/05/38/490250538.db2.gz CAWWRXYDXOEHOL-NEPJUHHUSA-N 1 2 246.314 0.720 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@H](O)C(C)(C)C1 ZINC000387991869 490262145 /nfs/dbraw/zinc/26/21/45/490262145.db2.gz VQPCSFMVFQWEIW-ZETCQYMHSA-N 1 2 238.291 0.275 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413218165 490274179 /nfs/dbraw/zinc/27/41/79/490274179.db2.gz HJUFLIUOFYZWCE-PSASIEDQSA-N 1 2 234.303 0.868 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413218165 490274187 /nfs/dbraw/zinc/27/41/87/490274187.db2.gz HJUFLIUOFYZWCE-PSASIEDQSA-N 1 2 234.303 0.868 20 0 BCADLO OCCC[N@H+](Cc1ncccn1)C1CC1 ZINC000404319122 490352141 /nfs/dbraw/zinc/35/21/41/490352141.db2.gz YFEIJCWWJVAWTK-UHFFFAOYSA-N 1 2 207.277 0.823 20 0 BCADLO OCCC[N@@H+](Cc1ncccn1)C1CC1 ZINC000404319122 490352145 /nfs/dbraw/zinc/35/21/45/490352145.db2.gz YFEIJCWWJVAWTK-UHFFFAOYSA-N 1 2 207.277 0.823 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](O)C2CC2)o1 ZINC000304773958 490387841 /nfs/dbraw/zinc/38/78/41/490387841.db2.gz FPHBLDWXFSSDNV-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](O)C2CC2)o1 ZINC000304773958 490387845 /nfs/dbraw/zinc/38/78/45/490387845.db2.gz FPHBLDWXFSSDNV-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000125857117 490466415 /nfs/dbraw/zinc/46/64/15/490466415.db2.gz LRHYLAYTJWDBTN-LLVKDONJSA-N 1 2 239.319 0.893 20 0 BCADLO C[NH+]1CCN(C(=O)c2nccs2)CC1 ZINC000074717035 490499551 /nfs/dbraw/zinc/49/95/51/490499551.db2.gz HRVKCIKPZUZXCV-UHFFFAOYSA-N 1 2 211.290 0.531 20 0 BCADLO Cc1nc(N(C)C[C@@H](O)C2CC2)cc[nH+]1 ZINC000080233421 490627630 /nfs/dbraw/zinc/62/76/30/490627630.db2.gz VXNLHXUAVOXNPB-SNVBAGLBSA-N 1 2 207.277 0.992 20 0 BCADLO CC(=O)N[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668243787 491088190 /nfs/dbraw/zinc/08/81/90/491088190.db2.gz IWEZUBJSBNROLJ-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCc1cn(C)nn1 ZINC000668420105 491115550 /nfs/dbraw/zinc/11/55/50/491115550.db2.gz VPOUAPJPRFOOGU-UHFFFAOYSA-N 1 2 245.286 0.512 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc(N)s1 ZINC000086766007 491115573 /nfs/dbraw/zinc/11/55/73/491115573.db2.gz KDVFUIXFTPEBLL-UHFFFAOYSA-N 1 2 228.321 0.293 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc(N)s1 ZINC000086766007 491115574 /nfs/dbraw/zinc/11/55/74/491115574.db2.gz KDVFUIXFTPEBLL-UHFFFAOYSA-N 1 2 228.321 0.293 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617744577 491123955 /nfs/dbraw/zinc/12/39/55/491123955.db2.gz YOYNHDKCAQOITD-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617744577 491123956 /nfs/dbraw/zinc/12/39/56/491123956.db2.gz YOYNHDKCAQOITD-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1nccn1C ZINC000081901977 491136989 /nfs/dbraw/zinc/13/69/89/491136989.db2.gz KUHZYNSKTZLOQH-IUCAKERBSA-N 1 2 245.348 0.504 20 0 BCADLO CCc1cc(NCCNC(=O)N(C)C)nc[nH+]1 ZINC000133368644 491152655 /nfs/dbraw/zinc/15/26/55/491152655.db2.gz GJQLVOLRZAWPMO-UHFFFAOYSA-N 1 2 237.307 0.722 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](CCO)C1 ZINC000310120643 491160431 /nfs/dbraw/zinc/16/04/31/491160431.db2.gz ADGLKLRLNYEUQF-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000859072693 582480856 /nfs/dbraw/zinc/48/08/56/582480856.db2.gz PARNYIIYAIOUEL-ZJUUUORDSA-N 1 2 230.308 0.842 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000859072693 582480857 /nfs/dbraw/zinc/48/08/57/582480857.db2.gz PARNYIIYAIOUEL-ZJUUUORDSA-N 1 2 230.308 0.842 20 0 BCADLO COC/C(C)=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000845478095 582612402 /nfs/dbraw/zinc/61/24/02/582612402.db2.gz VEWYFAWSFZOLFX-VQHVLOKHSA-N 1 2 223.276 0.661 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC/C=C\Cl ZINC000891204365 582629730 /nfs/dbraw/zinc/62/97/30/582629730.db2.gz DYIFRNGQMUFFPQ-TYRPZCRBSA-N 1 2 232.711 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC/C=C\Cl ZINC000891204365 582629731 /nfs/dbraw/zinc/62/97/31/582629731.db2.gz DYIFRNGQMUFFPQ-TYRPZCRBSA-N 1 2 232.711 0.576 20 0 BCADLO COC(=O)N(C)CC(=O)OCCn1cc[nH+]c1 ZINC000494678226 533868869 /nfs/dbraw/zinc/86/88/69/533868869.db2.gz ZBVGCKWABHHKEM-UHFFFAOYSA-N 1 2 241.247 0.125 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493780509 533986969 /nfs/dbraw/zinc/98/69/69/533986969.db2.gz CBMXHPGHMWUGDV-DWNUIHGBSA-N 1 2 221.260 0.405 20 0 BCADLO COC(=O)N1CC[NH+](CCn2ccnc2)CC1 ZINC000494094763 534002982 /nfs/dbraw/zinc/00/29/82/534002982.db2.gz OGCHEARSDWHOPR-UHFFFAOYSA-N 1 2 238.291 0.267 20 0 BCADLO COC(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000494094763 534002990 /nfs/dbraw/zinc/00/29/90/534002990.db2.gz OGCHEARSDWHOPR-UHFFFAOYSA-N 1 2 238.291 0.267 20 0 BCADLO COC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000493734478 534004580 /nfs/dbraw/zinc/00/45/80/534004580.db2.gz XQMSVTPNOBYOJF-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO COC(=O)NCC(=O)OCCCn1cc[nH+]c1 ZINC000495322821 534047105 /nfs/dbraw/zinc/04/71/05/534047105.db2.gz WFTIBXMJHKNGRK-UHFFFAOYSA-N 1 2 241.247 0.172 20 0 BCADLO COC(=O)NCCC(=O)OCCn1cc[nH+]c1 ZINC000494382261 534081628 /nfs/dbraw/zinc/08/16/28/534081628.db2.gz RGKLTWGLLQMTJX-UHFFFAOYSA-N 1 2 241.247 0.172 20 0 BCADLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815562 534092251 /nfs/dbraw/zinc/09/22/51/534092251.db2.gz XODTVUSTIFKOFB-UQFUPZHMSA-N 1 2 248.286 0.206 20 0 BCADLO COC[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000891467948 582691211 /nfs/dbraw/zinc/69/12/11/582691211.db2.gz PZPYFDARHBRKEJ-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO CCNC(=O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000891555954 582696487 /nfs/dbraw/zinc/69/64/87/582696487.db2.gz SEIINGLTTQCOTH-QMMMGPOBSA-N 1 2 223.276 0.683 20 0 BCADLO O=C(NC/C=C\Cl)NCCn1cc[nH+]c1 ZINC000891558200 582697257 /nfs/dbraw/zinc/69/72/57/582697257.db2.gz AJRFUMDRUGMCKA-UPHRSURJSA-N 1 2 228.683 0.935 20 0 BCADLO Cn1cc(C[N@H+](C)CC(N)=O)c(C2CC2)n1 ZINC000891582658 582699405 /nfs/dbraw/zinc/69/94/05/582699405.db2.gz ULBKKFTVOWNCLR-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(N)=O)c(C2CC2)n1 ZINC000891582658 582699407 /nfs/dbraw/zinc/69/94/07/582699407.db2.gz ULBKKFTVOWNCLR-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493636228 534269392 /nfs/dbraw/zinc/26/93/92/534269392.db2.gz XRGYRGYVKMWXPD-FSIBCCDJSA-N 1 2 245.286 0.824 20 0 BCADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1=O ZINC000493403898 534272672 /nfs/dbraw/zinc/27/26/72/534272672.db2.gz RFVGKPUUIBOHAK-OTDNITJGSA-N 1 2 235.243 0.245 20 0 BCADLO C[C@@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1=O ZINC000493229965 534272734 /nfs/dbraw/zinc/27/27/34/534272734.db2.gz ZTLRALGNVINGBN-KXMPLOMGSA-N 1 2 235.243 0.245 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCC1=O ZINC000493723384 534275307 /nfs/dbraw/zinc/27/53/07/534275307.db2.gz UTUMIPSSWJZNKV-GKQMSVHHSA-N 1 2 233.271 0.860 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C(N)=O ZINC000493320919 534275444 /nfs/dbraw/zinc/27/54/44/534275444.db2.gz MWVUCLGERNRCSX-KHVQUVQLSA-N 1 2 248.286 0.003 20 0 BCADLO NC(=O)[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493749834 534421609 /nfs/dbraw/zinc/42/16/09/534421609.db2.gz DZTLXRHGLNJVCU-LWTINBJPSA-N 1 2 248.286 0.289 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@@H](CF)C1 ZINC000493242825 534786708 /nfs/dbraw/zinc/78/67/08/534786708.db2.gz VVJYPHHUVBVSJU-VWCDRPFISA-N 1 2 239.250 0.620 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H](CCO)C1 ZINC000493459301 534786990 /nfs/dbraw/zinc/78/69/90/534786990.db2.gz VQIGJGUXWZQKSZ-TXXBHVLJSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCc2n[nH]cc2C1 ZINC000493846999 534787378 /nfs/dbraw/zinc/78/73/78/534787378.db2.gz DSKSMETZHMHATI-OWOJBTEDSA-N 1 2 243.270 0.731 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CO)CC1 ZINC000492759312 534800833 /nfs/dbraw/zinc/80/08/33/534800833.db2.gz BYHVVKYDONXRSJ-UPHRSURJSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCOCC1 ZINC000492770978 534801853 /nfs/dbraw/zinc/80/18/53/534801853.db2.gz ROKRSKNMJCGWQE-IHWYPQMZSA-N 1 2 221.260 0.672 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@H]1CCCCO1 ZINC000493194021 534803862 /nfs/dbraw/zinc/80/38/62/534803862.db2.gz SCFNTWHOJPNKRK-WYGGZMRJSA-N 1 2 237.259 0.997 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cn[nH]c1 ZINC000492808598 534805159 /nfs/dbraw/zinc/80/51/59/534805159.db2.gz DFTPIHDLRPEOHT-UPHRSURJSA-N 1 2 203.205 0.785 20 0 BCADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000494031841 534812588 /nfs/dbraw/zinc/81/25/88/534812588.db2.gz GHEMVJAKWOQDKE-SECBINFHSA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000494031841 534812592 /nfs/dbraw/zinc/81/25/92/534812592.db2.gz GHEMVJAKWOQDKE-SECBINFHSA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ncccc3O)CCN12 ZINC000496962716 534818672 /nfs/dbraw/zinc/81/86/72/534818672.db2.gz MRXIJRNJGNFVEG-SECBINFHSA-N 1 2 249.270 0.424 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ncccc3O)CCN12 ZINC000496962716 534818674 /nfs/dbraw/zinc/81/86/74/534818674.db2.gz MRXIJRNJGNFVEG-SECBINFHSA-N 1 2 249.270 0.424 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000334420157 536440054 /nfs/dbraw/zinc/44/00/54/536440054.db2.gz ZPVRCFVYADKXKV-ZETCQYMHSA-N 1 2 234.246 0.231 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000334420157 536440058 /nfs/dbraw/zinc/44/00/58/536440058.db2.gz ZPVRCFVYADKXKV-ZETCQYMHSA-N 1 2 234.246 0.231 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000495722294 526544194 /nfs/dbraw/zinc/54/41/94/526544194.db2.gz ZZMDRNXUGWGFKU-ZETCQYMHSA-N 1 2 245.279 0.408 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493253937 526620976 /nfs/dbraw/zinc/62/09/76/526620976.db2.gz BUISTPTYTGTXJW-XRVBUDJMSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)(CO)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493114150 527195823 /nfs/dbraw/zinc/19/58/23/527195823.db2.gz GYXFXTMANNUQCK-ONEGZZNKSA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493531273 527722215 /nfs/dbraw/zinc/72/22/15/527722215.db2.gz SYOJBTPPTCEULX-PGLGOXFNSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493531272 527723447 /nfs/dbraw/zinc/72/34/47/527723447.db2.gz SYOJBTPPTCEULX-DLRQAJBASA-N 1 2 237.303 0.946 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCc2ncnc(OC)c2C1 ZINC000173604443 536523950 /nfs/dbraw/zinc/52/39/50/536523950.db2.gz PFONTRGUBWRFGQ-SECBINFHSA-N 1 2 237.303 0.878 20 0 BCADLO COC[C@@H](C)[N@H+]1CCc2ncnc(OC)c2C1 ZINC000173604443 536523956 /nfs/dbraw/zinc/52/39/56/536523956.db2.gz PFONTRGUBWRFGQ-SECBINFHSA-N 1 2 237.303 0.878 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000459368898 527955661 /nfs/dbraw/zinc/95/56/61/527955661.db2.gz DNMHVTQYBAFHSY-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000459368898 527955666 /nfs/dbraw/zinc/95/56/66/527955666.db2.gz DNMHVTQYBAFHSY-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCNC(=O)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492769983 528045648 /nfs/dbraw/zinc/04/56/48/528045648.db2.gz QHZBOWSAUGAYEF-ARJAWSKDSA-N 1 2 248.286 0.017 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474452 528061552 /nfs/dbraw/zinc/06/15/52/528061552.db2.gz PPJUMGFQXGVJLW-IUCAKERBSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474452 528061558 /nfs/dbraw/zinc/06/15/58/528061558.db2.gz PPJUMGFQXGVJLW-IUCAKERBSA-N 1 2 229.324 0.097 20 0 BCADLO CCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000487528367 528416703 /nfs/dbraw/zinc/41/67/03/528416703.db2.gz SWTHONNIRKTKNK-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO CCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000487528367 528416706 /nfs/dbraw/zinc/41/67/06/528416706.db2.gz SWTHONNIRKTKNK-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO CCO/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000493152424 528491604 /nfs/dbraw/zinc/49/16/04/528491604.db2.gz ATOYEWZBCIIOLD-VMKBVTSJSA-N 1 2 235.287 0.864 20 0 BCADLO CCO/C=C\C(=O)N(C)Cc1[nH+]ccn1C ZINC000493417217 528504312 /nfs/dbraw/zinc/50/43/12/528504312.db2.gz FWCNPOKLZSYKCR-YVMONPNESA-N 1 2 223.276 0.929 20 0 BCADLO CCO/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000493194381 528504533 /nfs/dbraw/zinc/50/45/33/528504533.db2.gz SHZJHXDVLNCGJP-DAXSKMNVSA-N 1 2 209.249 0.918 20 0 BCADLO CCO/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000493429612 528517739 /nfs/dbraw/zinc/51/77/39/528517739.db2.gz HUWHRXAPURSWKI-UTCJRWHESA-N 1 2 221.260 0.776 20 0 BCADLO CCO/C=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000493834895 528524122 /nfs/dbraw/zinc/52/41/22/528524122.db2.gz HPBJOHAXWLRCEW-LAUIRUGDSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000493834895 528524123 /nfs/dbraw/zinc/52/41/23/528524123.db2.gz HPBJOHAXWLRCEW-LAUIRUGDSA-N 1 2 242.319 0.374 20 0 BCADLO CCOCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492824900 528670522 /nfs/dbraw/zinc/67/05/22/528670522.db2.gz QZJZTRXKAKZNCX-PLNGDYQASA-N 1 2 223.276 0.966 20 0 BCADLO CC(C)[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000487979805 528750739 /nfs/dbraw/zinc/75/07/39/528750739.db2.gz JGKYSDRTTIWHBW-VIFPVBQESA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000487979805 528750746 /nfs/dbraw/zinc/75/07/46/528750746.db2.gz JGKYSDRTTIWHBW-VIFPVBQESA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493264457 528861002 /nfs/dbraw/zinc/86/10/02/528861002.db2.gz RJRADMGTYNBOQW-QMAVJUDZSA-N 1 2 237.303 0.946 20 0 BCADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCNC1=O ZINC000493479346 528907844 /nfs/dbraw/zinc/90/78/44/528907844.db2.gz ISCBPPFPHAREJD-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC000493743159 528911066 /nfs/dbraw/zinc/91/10/66/528911066.db2.gz VFZGHYBBBUQACQ-UMBAGQNISA-N 1 2 248.286 0.160 20 0 BCADLO CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1O ZINC000493563999 529060694 /nfs/dbraw/zinc/06/06/94/529060694.db2.gz IVZPSEUZAJOSLI-NWALNABHSA-N 1 2 235.287 0.652 20 0 BCADLO CC1(C)C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C(=O)O1 ZINC000493823439 529136408 /nfs/dbraw/zinc/13/64/08/529136408.db2.gz NSXBODBOGWXHSY-MPJRPATESA-N 1 2 249.270 0.633 20 0 BCADLO CCN1CC[N@H+](CCCNC(C)=O)[C@@H](C)C1=O ZINC000495206605 529144905 /nfs/dbraw/zinc/14/49/05/529144905.db2.gz WOQGWDQVIGMUCD-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN1CC[N@@H+](CCCNC(C)=O)[C@@H](C)C1=O ZINC000495206605 529144907 /nfs/dbraw/zinc/14/49/07/529144907.db2.gz WOQGWDQVIGMUCD-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCn1ccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000493508484 529155990 /nfs/dbraw/zinc/15/59/90/529155990.db2.gz AJZNMVHSOBPADQ-ONEGZZNKSA-N 1 2 245.286 0.956 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000336052801 534965310 /nfs/dbraw/zinc/96/53/10/534965310.db2.gz SGLANVXTDZAWSX-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000336052801 534965315 /nfs/dbraw/zinc/96/53/15/534965315.db2.gz SGLANVXTDZAWSX-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528110 534983304 /nfs/dbraw/zinc/98/33/04/534983304.db2.gz IQBYAJNSEKGKJA-ZETCQYMHSA-N 1 2 206.236 0.850 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)NC2CC2)CCO1 ZINC000725856109 582922279 /nfs/dbraw/zinc/92/22/79/582922279.db2.gz KPXFUJCXTLHASZ-VIFPVBQESA-N 1 2 227.308 0.169 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)NC2CC2)CCO1 ZINC000725856109 582922282 /nfs/dbraw/zinc/92/22/82/582922282.db2.gz KPXFUJCXTLHASZ-VIFPVBQESA-N 1 2 227.308 0.169 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000175021600 535227827 /nfs/dbraw/zinc/22/78/27/535227827.db2.gz FRKONULVMKEAGJ-GHMZBOCLSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000175021600 535227829 /nfs/dbraw/zinc/22/78/29/535227829.db2.gz FRKONULVMKEAGJ-GHMZBOCLSA-N 1 2 226.320 0.716 20 0 BCADLO CCC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000335681255 535235618 /nfs/dbraw/zinc/23/56/18/535235618.db2.gz SBBLBPPCKCVHNT-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO CCC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000335681255 535235621 /nfs/dbraw/zinc/23/56/21/535235621.db2.gz SBBLBPPCKCVHNT-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185886388 535259758 /nfs/dbraw/zinc/25/97/58/535259758.db2.gz HAKYDOGADYEVKY-JTQLQIEISA-N 1 2 249.314 0.547 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)CC(C)(C)O ZINC000078748636 535397058 /nfs/dbraw/zinc/39/70/58/535397058.db2.gz QQUGOYQCABAYFC-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)CC(C)(C)O ZINC000078748636 535397061 /nfs/dbraw/zinc/39/70/61/535397061.db2.gz QQUGOYQCABAYFC-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@H]1OC ZINC000252777928 535410268 /nfs/dbraw/zinc/41/02/68/535410268.db2.gz LBYLBXDSQLSGJH-GMTAPVOTSA-N 1 2 225.292 0.692 20 0 BCADLO CCS(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352283048 535675039 /nfs/dbraw/zinc/67/50/39/535675039.db2.gz ZTNPODPUMALIDV-VIFPVBQESA-N 1 2 243.332 0.811 20 0 BCADLO CCN1CC[N@H+](CC2=CCCOC2)[C@@H](C)C1=O ZINC000336116817 535675053 /nfs/dbraw/zinc/67/50/53/535675053.db2.gz ULIITTLHPNBZMW-NSHDSACASA-N 1 2 238.331 0.886 20 0 BCADLO CCN1CC[N@@H+](CC2=CCCOC2)[C@@H](C)C1=O ZINC000336116817 535675055 /nfs/dbraw/zinc/67/50/55/535675055.db2.gz ULIITTLHPNBZMW-NSHDSACASA-N 1 2 238.331 0.886 20 0 BCADLO CCN1CC[N@H+](CCCC(=O)OC)CC1=O ZINC000348812476 535687211 /nfs/dbraw/zinc/68/72/11/535687211.db2.gz DZFDNCOKXWSSMF-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCN1CC[N@@H+](CCCC(=O)OC)CC1=O ZINC000348812476 535687217 /nfs/dbraw/zinc/68/72/17/535687217.db2.gz DZFDNCOKXWSSMF-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCN1CC[N@H+](C[C@H](C)OC)CC1=O ZINC000348820064 535718439 /nfs/dbraw/zinc/71/84/39/535718439.db2.gz ZXNMVJCPFUUFLS-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@@H+](C[C@H](C)OC)CC1=O ZINC000348820064 535718445 /nfs/dbraw/zinc/71/84/45/535718445.db2.gz ZXNMVJCPFUUFLS-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000336175499 536083484 /nfs/dbraw/zinc/08/34/84/536083484.db2.gz SCCRHIFAUKDUSX-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1cc(C)on1)C(C)C ZINC000183670239 536382932 /nfs/dbraw/zinc/38/29/32/536382932.db2.gz HIFYCNMYRDDJIL-SNVBAGLBSA-N 1 2 225.292 0.843 20 0 BCADLO C[NH+]1CCN(C(=O)C2(O)CCSCC2)CC1 ZINC000335937406 536401032 /nfs/dbraw/zinc/40/10/32/536401032.db2.gz RARVORDKGXTQSX-UHFFFAOYSA-N 1 2 244.360 0.019 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000335317296 536436851 /nfs/dbraw/zinc/43/68/51/536436851.db2.gz SKXHDAVUUAAJNY-RKDXNWHRSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000335317296 536436852 /nfs/dbraw/zinc/43/68/52/536436852.db2.gz SKXHDAVUUAAJNY-RKDXNWHRSA-N 1 2 238.253 0.954 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC2CCOCC2)CCOC1 ZINC000348071305 536579426 /nfs/dbraw/zinc/57/94/26/536579426.db2.gz JZRIAWBNCOZDGT-GFCCVEGCSA-N 1 2 243.303 0.335 20 0 BCADLO COCc1cc(C[N@H+](C)CCO)no1 ZINC000085222908 536705760 /nfs/dbraw/zinc/70/57/60/536705760.db2.gz IEXQVUUUWCWIKS-UHFFFAOYSA-N 1 2 200.238 0.245 20 0 BCADLO COCc1cc(C[N@@H+](C)CCO)no1 ZINC000085222908 536705766 /nfs/dbraw/zinc/70/57/66/536705766.db2.gz IEXQVUUUWCWIKS-UHFFFAOYSA-N 1 2 200.238 0.245 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](C)OC)C1CC1 ZINC000227307969 536738386 /nfs/dbraw/zinc/73/83/86/536738386.db2.gz APCOJDLKXOUKRZ-VXNVDRBHSA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000352007698 536840813 /nfs/dbraw/zinc/84/08/13/536840813.db2.gz YHTNGQKSTCRGTQ-MRVPVSSYSA-N 1 2 240.259 0.275 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](CO)C1 ZINC000352007698 536840819 /nfs/dbraw/zinc/84/08/19/536840819.db2.gz YHTNGQKSTCRGTQ-MRVPVSSYSA-N 1 2 240.259 0.275 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](OC)C1 ZINC000352016698 536841941 /nfs/dbraw/zinc/84/19/41/536841941.db2.gz ZDJGDPHJPMEAAY-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000352016698 536841943 /nfs/dbraw/zinc/84/19/43/536841943.db2.gz ZDJGDPHJPMEAAY-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO COCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362723465 536870011 /nfs/dbraw/zinc/87/00/11/536870011.db2.gz HPVGIBAYXOQMLY-VIFPVBQESA-N 1 2 237.303 0.810 20 0 BCADLO COCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362723465 536870016 /nfs/dbraw/zinc/87/00/16/536870016.db2.gz HPVGIBAYXOQMLY-VIFPVBQESA-N 1 2 237.303 0.810 20 0 BCADLO C[C@H](O)CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892684473 582954444 /nfs/dbraw/zinc/95/44/44/582954444.db2.gz SVQIMPSNLADDTB-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO C[C@H](O)CCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892684473 582954446 /nfs/dbraw/zinc/95/44/46/582954446.db2.gz SVQIMPSNLADDTB-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000332768509 566376762 /nfs/dbraw/zinc/37/67/62/566376762.db2.gz KEOWIXBDMIVPOH-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO COCCOC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000893643394 583184520 /nfs/dbraw/zinc/18/45/20/583184520.db2.gz SFKZSWMWPOWKKY-MRVPVSSYSA-N 1 2 227.251 0.255 20 0 BCADLO CNc1cc(N2CCO[C@@H](C(F)F)C2)nc[nH+]1 ZINC000893707985 583208078 /nfs/dbraw/zinc/20/80/78/583208078.db2.gz DWJMPKXLPPFVEX-SSDOTTSWSA-N 1 2 244.245 0.989 20 0 BCADLO CNc1cc(N2CCO[C@@H](C(F)F)C2)[nH+]cn1 ZINC000893707985 583208082 /nfs/dbraw/zinc/20/80/82/583208082.db2.gz DWJMPKXLPPFVEX-SSDOTTSWSA-N 1 2 244.245 0.989 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000840978814 583214860 /nfs/dbraw/zinc/21/48/60/583214860.db2.gz PMUMIKRZUPXRLZ-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000840978814 583214862 /nfs/dbraw/zinc/21/48/62/583214862.db2.gz PMUMIKRZUPXRLZ-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000893740533 583216671 /nfs/dbraw/zinc/21/66/71/583216671.db2.gz UXELMLPJKDPGGS-MRVPVSSYSA-N 1 2 206.249 0.546 20 0 BCADLO Cc1n[nH]c(C[N@@H+](C)CC(=O)NC(C)C)c1C ZINC000893911689 583246001 /nfs/dbraw/zinc/24/60/01/583246001.db2.gz QTSHQDQNONWWGH-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO Cc1n[nH]c(C[N@H+](C)CC(=O)NC(C)C)c1C ZINC000893911689 583246004 /nfs/dbraw/zinc/24/60/04/583246004.db2.gz QTSHQDQNONWWGH-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO Cc1ncoc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000894093775 583299751 /nfs/dbraw/zinc/29/97/51/583299751.db2.gz GXLVKRCHILAQPX-MRVPVSSYSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncoc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000894093775 583299752 /nfs/dbraw/zinc/29/97/52/583299752.db2.gz GXLVKRCHILAQPX-MRVPVSSYSA-N 1 2 209.249 0.303 20 0 BCADLO CCNC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853043968 588717545 /nfs/dbraw/zinc/71/75/45/588717545.db2.gz AVZFAJZXVARTFQ-ZETCQYMHSA-N 1 2 212.322 0.965 20 0 BCADLO COCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000853200137 588725113 /nfs/dbraw/zinc/72/51/13/588725113.db2.gz HWMPQZFDMRFWNV-UHFFFAOYSA-N 1 2 212.253 0.198 20 0 BCADLO COCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000853200137 588725114 /nfs/dbraw/zinc/72/51/14/588725114.db2.gz HWMPQZFDMRFWNV-UHFFFAOYSA-N 1 2 212.253 0.198 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2cnc(F)cn2)CCO1 ZINC000853250826 588729415 /nfs/dbraw/zinc/72/94/15/588729415.db2.gz BWSNBYFXZBOSBI-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2cnc(F)cn2)CCO1 ZINC000853250826 588729416 /nfs/dbraw/zinc/72/94/16/588729416.db2.gz BWSNBYFXZBOSBI-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1cnc(F)cn1 ZINC000853270748 588730239 /nfs/dbraw/zinc/73/02/39/588730239.db2.gz KMWPNZICCCZTMJ-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1cnc(F)cn1 ZINC000853270748 588730240 /nfs/dbraw/zinc/73/02/40/588730240.db2.gz KMWPNZICCCZTMJ-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(=O)o1 ZINC000853503822 588746122 /nfs/dbraw/zinc/74/61/22/588746122.db2.gz KYBQPAFFZXZUQG-PSASIEDQSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(=O)o1 ZINC000853503822 588746123 /nfs/dbraw/zinc/74/61/23/588746123.db2.gz KYBQPAFFZXZUQG-PSASIEDQSA-N 1 2 241.291 0.338 20 0 BCADLO Fc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000853454999 588744257 /nfs/dbraw/zinc/74/42/57/588744257.db2.gz OEFUWVZIUKNFIC-SECBINFHSA-N 1 2 237.282 0.027 20 0 BCADLO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c(=O)o1 ZINC000853500308 588745897 /nfs/dbraw/zinc/74/58/97/588745897.db2.gz QDJOJCXYNMLUKW-YUMQZZPRSA-N 1 2 211.265 0.690 20 0 BCADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(C)oc1=O ZINC000853503739 588746451 /nfs/dbraw/zinc/74/64/51/588746451.db2.gz VVTOHDXBZCXMGP-SECBINFHSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@H]1CCC[N@H+]1Cn1nc(C)oc1=O ZINC000853503739 588746452 /nfs/dbraw/zinc/74/64/52/588746452.db2.gz VVTOHDXBZCXMGP-SECBINFHSA-N 1 2 243.332 0.930 20 0 BCADLO C[N@H+](C[C@H]1COCCO1)CN1CCSC1=O ZINC000853556610 588748711 /nfs/dbraw/zinc/74/87/11/588748711.db2.gz ALGZZCDGILYVGD-VIFPVBQESA-N 1 2 246.332 0.460 20 0 BCADLO C[N@@H+](C[C@H]1COCCO1)CN1CCSC1=O ZINC000853556610 588748712 /nfs/dbraw/zinc/74/87/12/588748712.db2.gz ALGZZCDGILYVGD-VIFPVBQESA-N 1 2 246.332 0.460 20 0 BCADLO C[N@H+](C[C@@H]1COCCO1)CN1CCSC1=O ZINC000853556609 588749005 /nfs/dbraw/zinc/74/90/05/588749005.db2.gz ALGZZCDGILYVGD-SECBINFHSA-N 1 2 246.332 0.460 20 0 BCADLO C[N@@H+](C[C@@H]1COCCO1)CN1CCSC1=O ZINC000853556609 588749006 /nfs/dbraw/zinc/74/90/06/588749006.db2.gz ALGZZCDGILYVGD-SECBINFHSA-N 1 2 246.332 0.460 20 0 BCADLO Cn1c[nH+]cc1CNc1ncnc2c1nnn2C ZINC000853635911 588751024 /nfs/dbraw/zinc/75/10/24/588751024.db2.gz NHKSOJRHUOYLOJ-UHFFFAOYSA-N 1 2 244.262 0.104 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=O ZINC000853628447 588751225 /nfs/dbraw/zinc/75/12/25/588751225.db2.gz VQTQPMFGICEIJE-VIFPVBQESA-N 1 2 224.308 0.517 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=O ZINC000853628447 588751226 /nfs/dbraw/zinc/75/12/26/588751226.db2.gz VQTQPMFGICEIJE-VIFPVBQESA-N 1 2 224.308 0.517 20 0 BCADLO CON1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000853671222 588754352 /nfs/dbraw/zinc/75/43/52/588754352.db2.gz JEZKFFHUUWTZIR-UHFFFAOYSA-N 1 2 208.265 0.468 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2COCO2)[nH+]1 ZINC000853687599 588756340 /nfs/dbraw/zinc/75/63/40/588756340.db2.gz XJKXMZQAGPCYSQ-MRVPVSSYSA-N 1 2 239.279 0.031 20 0 BCADLO Cc1nc(NC[C@@H]2COCO2)nc(N(C)C)[nH+]1 ZINC000853687599 588756341 /nfs/dbraw/zinc/75/63/41/588756341.db2.gz XJKXMZQAGPCYSQ-MRVPVSSYSA-N 1 2 239.279 0.031 20 0 BCADLO COC(=O)C1(CO[NH+]=C(N)[C@H]2CCCO2)CC1 ZINC000853699264 588757644 /nfs/dbraw/zinc/75/76/44/588757644.db2.gz ZHQGXJPFNVAAQK-MRVPVSSYSA-N 1 2 242.275 0.617 20 0 BCADLO NC(=[NH+]OCCOC(F)F)[C@H]1CCCO1 ZINC000853699105 588757649 /nfs/dbraw/zinc/75/76/49/588757649.db2.gz XBIUVZSNLIXGSB-ZCFIWIBFSA-N 1 2 224.207 0.903 20 0 BCADLO CON(C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000853740023 588760608 /nfs/dbraw/zinc/76/06/08/588760608.db2.gz NBACPLIURLWXFP-UHFFFAOYSA-N 1 2 221.264 0.863 20 0 BCADLO CON(C)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000853740247 588760834 /nfs/dbraw/zinc/76/08/34/588760834.db2.gz SMQHTOFAGFCXOL-UHFFFAOYSA-N 1 2 248.290 0.567 20 0 BCADLO CCCONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000854202609 588779078 /nfs/dbraw/zinc/77/90/78/588779078.db2.gz DCKUSUHNGUDTLT-UHFFFAOYSA-N 1 2 212.253 0.893 20 0 BCADLO CCCONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000854202609 588779079 /nfs/dbraw/zinc/77/90/79/588779079.db2.gz DCKUSUHNGUDTLT-UHFFFAOYSA-N 1 2 212.253 0.893 20 0 BCADLO CC1(C)C[NH+](CC(=O)NN2CCCC2)C1 ZINC000854325883 588783839 /nfs/dbraw/zinc/78/38/39/588783839.db2.gz DONSJNHUCVTGKW-UHFFFAOYSA-N 1 2 211.309 0.455 20 0 BCADLO O=C(NN1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854327360 588784091 /nfs/dbraw/zinc/78/40/91/588784091.db2.gz LDXGLAJDXPKWHP-SECBINFHSA-N 1 2 234.303 0.642 20 0 BCADLO O=C(NN1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854327360 588784092 /nfs/dbraw/zinc/78/40/92/588784092.db2.gz LDXGLAJDXPKWHP-SECBINFHSA-N 1 2 234.303 0.642 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(C2CCOCC2)C1 ZINC000854342998 588784508 /nfs/dbraw/zinc/78/45/08/588784508.db2.gz CPGODZPMTCYSDF-UHFFFAOYSA-N 1 2 249.314 0.837 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000854464734 588788548 /nfs/dbraw/zinc/78/85/48/588788548.db2.gz QOUKYCZFNGJXKD-MRVPVSSYSA-N 1 2 241.291 0.466 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCCOC2 ZINC000854482140 588789173 /nfs/dbraw/zinc/78/91/73/588789173.db2.gz WXXDIOSLQRHRDK-UHFFFAOYSA-N 1 2 235.287 0.591 20 0 BCADLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854532015 588790712 /nfs/dbraw/zinc/79/07/12/588790712.db2.gz RQTIMIOQYMOXJV-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC(=O)C1 ZINC000854551624 588793399 /nfs/dbraw/zinc/79/33/99/588793399.db2.gz DMTQDLCBDXFAAR-CBAPKCEASA-N 1 2 237.259 0.020 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC(=O)C1 ZINC000854551624 588793400 /nfs/dbraw/zinc/79/34/00/588793400.db2.gz DMTQDLCBDXFAAR-CBAPKCEASA-N 1 2 237.259 0.020 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000854576927 588795289 /nfs/dbraw/zinc/79/52/89/588795289.db2.gz AKZMSCCZYDFXQJ-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO Cc1nonc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595462 588796392 /nfs/dbraw/zinc/79/63/92/588796392.db2.gz ZSHNOMSRLKRTIZ-SSDOTTSWSA-N 1 2 235.247 0.521 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854499050 588789627 /nfs/dbraw/zinc/78/96/27/588789627.db2.gz QSBNXHWHMQNPSW-MWLCHTKSSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854639601 588798645 /nfs/dbraw/zinc/79/86/45/588798645.db2.gz DVBJLQNZRMDFCC-SECBINFHSA-N 1 2 235.287 0.972 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854639601 588798646 /nfs/dbraw/zinc/79/86/46/588798646.db2.gz DVBJLQNZRMDFCC-SECBINFHSA-N 1 2 235.287 0.972 20 0 BCADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854666682 588800051 /nfs/dbraw/zinc/80/00/51/588800051.db2.gz CWWGAMGOMDCJEY-BXKDBHETSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(NC(CF)CF)[C@@H]1CCc2[nH+]ccn2C1 ZINC000854687552 588801535 /nfs/dbraw/zinc/80/15/35/588801535.db2.gz FTPLALQGQOZDPB-MRVPVSSYSA-N 1 2 243.257 0.869 20 0 BCADLO CC(=O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854723501 588804081 /nfs/dbraw/zinc/80/40/81/588804081.db2.gz AHMNKWHXAQXDLS-SNVBAGLBSA-N 1 2 235.287 0.922 20 0 BCADLO Cc1cc(CNC(=O)Cc2[nH]cc[nH+]2)ccn1 ZINC000854741185 588804777 /nfs/dbraw/zinc/80/47/77/588804777.db2.gz KOZJCVBWCVVCCS-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@@H](CC(C)(C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854762078 588804986 /nfs/dbraw/zinc/80/49/86/588804986.db2.gz VEMBJXJWHVIOGW-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC000854757670 588806023 /nfs/dbraw/zinc/80/60/23/588806023.db2.gz UWNZJEUIZWNZCV-UHFFFAOYSA-N 1 2 249.274 0.272 20 0 BCADLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCOC1 ZINC000854806233 588811567 /nfs/dbraw/zinc/81/15/67/588811567.db2.gz IQCBBQAOTRKAFS-UHFFFAOYSA-N 1 2 244.254 0.697 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000854822464 588812057 /nfs/dbraw/zinc/81/20/57/588812057.db2.gz QZJXZBVKWBTRBN-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CCCO)C1 ZINC000854896254 588815859 /nfs/dbraw/zinc/81/58/59/588815859.db2.gz IBDWUHLRYMLBHA-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](O)C(C)C ZINC000854938465 588817177 /nfs/dbraw/zinc/81/71/77/588817177.db2.gz MADLRQRMRGLPFE-JOYOIKCWSA-N 1 2 239.319 0.864 20 0 BCADLO CCn1ccnc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854946911 588818388 /nfs/dbraw/zinc/81/83/88/588818388.db2.gz ADYVLOUSUDDLGS-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO C[C@@H]1[C@H](CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854949659 588818704 /nfs/dbraw/zinc/81/87/04/588818704.db2.gz FVKCPGRHDHTERL-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CN=C(NC(=O)Cc2[nH]cc[nH+]2)S1 ZINC000854992191 588820038 /nfs/dbraw/zinc/82/00/38/588820038.db2.gz LQTMVXLEHHPOCH-ZCFIWIBFSA-N 1 2 224.289 0.560 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)C(C)(C)C ZINC000855134738 588822542 /nfs/dbraw/zinc/82/25/42/588822542.db2.gz YOMNKSRLGMMVAP-UHFFFAOYSA-N 1 2 223.276 0.983 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)C(C)(C)C ZINC000855134738 588822543 /nfs/dbraw/zinc/82/25/43/588822543.db2.gz YOMNKSRLGMMVAP-UHFFFAOYSA-N 1 2 223.276 0.983 20 0 BCADLO C[C@@]1(C2CC2)CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000855295246 588827390 /nfs/dbraw/zinc/82/73/90/588827390.db2.gz JWVGCRKYVBUFMK-ZDUSSCGKSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000113241029 588827802 /nfs/dbraw/zinc/82/78/02/588827802.db2.gz VMEKYOGULYCRHN-VIFPVBQESA-N 1 2 214.334 0.861 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+](C)Cc2cnn(C)c2)C1 ZINC000113240160 588827848 /nfs/dbraw/zinc/82/78/48/588827848.db2.gz KEWDRXCKQHHJFT-JTQLQIEISA-N 1 2 236.319 0.678 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2cnn(C)c2)C1 ZINC000113240160 588827849 /nfs/dbraw/zinc/82/78/49/588827849.db2.gz KEWDRXCKQHHJFT-JTQLQIEISA-N 1 2 236.319 0.678 20 0 BCADLO C[C@@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000113241028 588827975 /nfs/dbraw/zinc/82/79/75/588827975.db2.gz VMEKYOGULYCRHN-SECBINFHSA-N 1 2 214.334 0.861 20 0 BCADLO C[C@]1(C2CC2)COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000890588456 582484904 /nfs/dbraw/zinc/48/49/04/582484904.db2.gz FABTVCXKGGBLBT-CYBMUJFWSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC[C@H](O)C1CC1 ZINC000890714468 582512744 /nfs/dbraw/zinc/51/27/44/582512744.db2.gz AXEJMWZATKQVCY-NSHDSACASA-N 1 2 249.314 0.771 20 0 BCADLO CC(C)(C(=O)N[C@@H]1C=CCC1)[NH+]1CCOCC1 ZINC000855432907 588835789 /nfs/dbraw/zinc/83/57/89/588835789.db2.gz NLJPCDWYQNTXPH-LLVKDONJSA-N 1 2 238.331 0.932 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891034055 582598502 /nfs/dbraw/zinc/59/85/02/582598502.db2.gz KLEWDMCGHXOIRI-QWRGUYRKSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891034055 582598504 /nfs/dbraw/zinc/59/85/04/582598504.db2.gz KLEWDMCGHXOIRI-QWRGUYRKSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891045523 582601210 /nfs/dbraw/zinc/60/12/10/582601210.db2.gz HABQPIOKQBBQOT-ZYHUDNBSSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891045523 582601214 /nfs/dbraw/zinc/60/12/14/582601214.db2.gz HABQPIOKQBBQOT-ZYHUDNBSSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@@H](CC(=O)O[C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC000845283765 582610821 /nfs/dbraw/zinc/61/08/21/582610821.db2.gz ZNZZFSYFCGKNTJ-DTWKUNHWSA-N 1 2 237.259 0.266 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC/C=C/Cl ZINC000891198737 582625963 /nfs/dbraw/zinc/62/59/63/582625963.db2.gz MAZDHMOTPOWNQD-ZPUQHVIOSA-N 1 2 244.722 0.744 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)CC1CCOCC1 ZINC000846091916 582644763 /nfs/dbraw/zinc/64/47/63/582644763.db2.gz QQIZAHDHHRXGJQ-SNVBAGLBSA-N 1 2 244.335 0.849 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094651 582657759 /nfs/dbraw/zinc/65/77/59/582657759.db2.gz DOIBWVIGCAFHRF-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO CON1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000846982570 582672770 /nfs/dbraw/zinc/67/27/70/582672770.db2.gz ILWRLZVHCSJLBD-SNVBAGLBSA-N 1 2 243.351 0.469 20 0 BCADLO CC(=O)N1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000891404574 582679021 /nfs/dbraw/zinc/67/90/21/582679021.db2.gz KVGSJVZTWMWREY-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO CC(=O)N1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000891404574 582679022 /nfs/dbraw/zinc/67/90/22/582679022.db2.gz KVGSJVZTWMWREY-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO O=C(NC/C=C/Cl)NCC[NH+]1CCOCC1 ZINC000891449096 582688331 /nfs/dbraw/zinc/68/83/31/582688331.db2.gz JTNHWAGMTSNYLD-OWOJBTEDSA-N 1 2 247.726 0.370 20 0 BCADLO OC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891495191 582693445 /nfs/dbraw/zinc/69/34/45/582693445.db2.gz ORVARMWMKHSABF-UHFFFAOYSA-N 1 2 218.260 0.690 20 0 BCADLO Cn1ncc(C[N@H+](C)CC(N)=O)c1C1CC1 ZINC000891581016 582700043 /nfs/dbraw/zinc/70/00/43/582700043.db2.gz FSZRGBKJPOAQBK-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC(N)=O)c1C1CC1 ZINC000891581016 582700045 /nfs/dbraw/zinc/70/00/45/582700045.db2.gz FSZRGBKJPOAQBK-UHFFFAOYSA-N 1 2 222.292 0.215 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC2CC2)c1 ZINC000891728636 582714882 /nfs/dbraw/zinc/71/48/82/582714882.db2.gz OTRVMYPFWGJBFC-UHFFFAOYSA-N 1 2 208.265 0.629 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccoc1 ZINC000855769268 588847309 /nfs/dbraw/zinc/84/73/09/588847309.db2.gz AKYLRAMIQJQWFD-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779841051 582748329 /nfs/dbraw/zinc/74/83/29/582748329.db2.gz HWRQETHQSSFQNV-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO CN(CCC1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866857784 582762582 /nfs/dbraw/zinc/76/25/82/582762582.db2.gz QOJGDFYDHYUPFL-JTQLQIEISA-N 1 2 223.276 0.702 20 0 BCADLO CN(C)c1cc(N2CCCOCC2)nc[nH+]1 ZINC000892125224 582795492 /nfs/dbraw/zinc/79/54/92/582795492.db2.gz OVFXLCDXNCGJCX-UHFFFAOYSA-N 1 2 222.292 0.769 20 0 BCADLO CN(C)c1cc(N2CCCOCC2)[nH+]cn1 ZINC000892125224 582795494 /nfs/dbraw/zinc/79/54/94/582795494.db2.gz OVFXLCDXNCGJCX-UHFFFAOYSA-N 1 2 222.292 0.769 20 0 BCADLO CNc1cc(NCC(=O)NC2CCCC2)nc[nH+]1 ZINC000892130614 582797118 /nfs/dbraw/zinc/79/71/18/582797118.db2.gz PBDKSWGENQSXOS-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CNc1cc(NCC(=O)NC2CCCC2)[nH+]cn1 ZINC000892130614 582797120 /nfs/dbraw/zinc/79/71/20/582797120.db2.gz PBDKSWGENQSXOS-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO C[C@H]1CCCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000222985310 582798723 /nfs/dbraw/zinc/79/87/23/582798723.db2.gz VKHGXKJKWSDZTF-PYEVWLCESA-N 1 2 238.331 0.886 20 0 BCADLO C[N@H+](Cc1cnn(C2CCC2)c1)[C@H]1CCNC1=O ZINC000892240131 582811216 /nfs/dbraw/zinc/81/12/16/582811216.db2.gz DPSQNAMQOOGMFN-LBPRGKRZSA-N 1 2 248.330 0.928 20 0 BCADLO C[N@@H+](Cc1cnn(C2CCC2)c1)[C@H]1CCNC1=O ZINC000892240131 582811217 /nfs/dbraw/zinc/81/12/17/582811217.db2.gz DPSQNAMQOOGMFN-LBPRGKRZSA-N 1 2 248.330 0.928 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@H]2CCNC2=O)c1C1CC1 ZINC000892240579 582811614 /nfs/dbraw/zinc/81/16/14/582811614.db2.gz HHOVLTJFZDVMNT-NSHDSACASA-N 1 2 248.330 0.618 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@H]2CCNC2=O)c1C1CC1 ZINC000892240579 582811615 /nfs/dbraw/zinc/81/16/15/582811615.db2.gz HHOVLTJFZDVMNT-NSHDSACASA-N 1 2 248.330 0.618 20 0 BCADLO Cn1nc2c(c1C[N@H+](C)[C@H]1CCNC1=O)CCC2 ZINC000892241587 582812433 /nfs/dbraw/zinc/81/24/33/582812433.db2.gz LUDUTRPOJLBQMP-NSHDSACASA-N 1 2 248.330 0.229 20 0 BCADLO Cn1nc2c(c1C[N@@H+](C)[C@H]1CCNC1=O)CCC2 ZINC000892241587 582812435 /nfs/dbraw/zinc/81/24/35/582812435.db2.gz LUDUTRPOJLBQMP-NSHDSACASA-N 1 2 248.330 0.229 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)CC1CC1 ZINC000855914026 588853412 /nfs/dbraw/zinc/85/34/12/588853412.db2.gz PDVWTXWWRSGXMI-JTQLQIEISA-N 1 2 237.303 0.477 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](O)C12CCC2 ZINC000855923630 588854161 /nfs/dbraw/zinc/85/41/61/588854161.db2.gz RJEAQCPVULMEKU-IUCAKERBSA-N 1 2 235.287 0.372 20 0 BCADLO CN(C)c1cc(NCC(C)(C)O)[nH+]cn1 ZINC000892308754 582834679 /nfs/dbraw/zinc/83/46/79/582834679.db2.gz XYZLGTNRCXPCSB-UHFFFAOYSA-N 1 2 210.281 0.725 20 0 BCADLO CN(C)c1cc(NCC(C)(C)O)nc[nH+]1 ZINC000892308754 582834680 /nfs/dbraw/zinc/83/46/80/582834680.db2.gz XYZLGTNRCXPCSB-UHFFFAOYSA-N 1 2 210.281 0.725 20 0 BCADLO CN(C)c1cc(NC[C@@H](O)C2CC2)[nH+]cn1 ZINC000892320291 582842634 /nfs/dbraw/zinc/84/26/34/582842634.db2.gz VHNQDMYQGWRZJL-SECBINFHSA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(NC[C@@H](O)C2CC2)nc[nH+]1 ZINC000892320291 582842636 /nfs/dbraw/zinc/84/26/36/582842636.db2.gz VHNQDMYQGWRZJL-SECBINFHSA-N 1 2 222.292 0.725 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)CCn1cc[nH+]c1 ZINC000889349022 582858013 /nfs/dbraw/zinc/85/80/13/582858013.db2.gz IFLDOCGXVKFQSK-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCC(=O)N(C)C2)[nH+]cn1 ZINC000892615584 582930384 /nfs/dbraw/zinc/93/03/84/582930384.db2.gz UWSRHVMGXYQRJI-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000892615584 582930386 /nfs/dbraw/zinc/93/03/86/582930386.db2.gz UWSRHVMGXYQRJI-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1SCCS1 ZINC000856161060 588863243 /nfs/dbraw/zinc/86/32/43/588863243.db2.gz VQQJGNWXUYZUHI-UHFFFAOYSA-N 1 2 243.357 0.805 20 0 BCADLO CNc1cc(N[C@@H](C)COCCOC)nc[nH+]1 ZINC000892677640 582950884 /nfs/dbraw/zinc/95/08/84/582950884.db2.gz JEJOMIOEQOFFSX-VIFPVBQESA-N 1 2 240.307 0.982 20 0 BCADLO CNc1cc(N[C@@H](C)COCCOC)[nH+]cn1 ZINC000892677640 582950885 /nfs/dbraw/zinc/95/08/85/582950885.db2.gz JEJOMIOEQOFFSX-VIFPVBQESA-N 1 2 240.307 0.982 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)CO ZINC000856247899 588865324 /nfs/dbraw/zinc/86/53/24/588865324.db2.gz HKOMDTYCHFBYJL-CABZTGNLSA-N 1 2 237.303 0.429 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281276 588866612 /nfs/dbraw/zinc/86/66/12/588866612.db2.gz NKCCTHADBGYZIP-IUCAKERBSA-N 1 2 225.292 0.616 20 0 BCADLO C[C@@H](NC(=O)c1cnn(C)n1)c1[nH+]ccn1C ZINC000856281136 588866783 /nfs/dbraw/zinc/86/67/83/588866783.db2.gz MAGOQZFFLOITDQ-SSDOTTSWSA-N 1 2 234.263 0.040 20 0 BCADLO CCn1ncc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000856281676 588867044 /nfs/dbraw/zinc/86/70/44/588867044.db2.gz RQKKAWLKPBJLBU-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO C[C@H](O)c1cccc(N2C[C@H](O)C[C@H](O)C2)[nH+]1 ZINC000892770499 582979207 /nfs/dbraw/zinc/97/92/07/582979207.db2.gz KXXKSJHNCSOBMT-LPEHRKFASA-N 1 2 238.287 0.067 20 0 BCADLO COC/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281367 588867082 /nfs/dbraw/zinc/86/70/82/588867082.db2.gz NRPMGTYLXVCANY-XNPJLODASA-N 1 2 223.276 0.800 20 0 BCADLO Nc1nc(N[C@@H]2C=C[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000892786888 582982964 /nfs/dbraw/zinc/98/29/64/582982964.db2.gz WQPRMYFPJQNAMW-IONNQARKSA-N 1 2 247.302 0.680 20 0 BCADLO Nc1nc(N[C@@H]2C=C[C@H](CO)C2)[nH+]c(C2CC2)n1 ZINC000892786888 582982967 /nfs/dbraw/zinc/98/29/67/582982967.db2.gz WQPRMYFPJQNAMW-IONNQARKSA-N 1 2 247.302 0.680 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOCC1CCC1 ZINC000856350708 588869986 /nfs/dbraw/zinc/86/99/86/588869986.db2.gz OJQBUNKQDWNQPO-UHFFFAOYSA-N 1 2 223.276 0.811 20 0 BCADLO CO[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892809169 582986050 /nfs/dbraw/zinc/98/60/50/582986050.db2.gz JICBBCJHSXGYIY-SECBINFHSA-N 1 2 218.260 0.954 20 0 BCADLO CCc1cc(N2CCNC(=O)[C@@H]2C)nc(CC)[nH+]1 ZINC000892826957 582990786 /nfs/dbraw/zinc/99/07/86/582990786.db2.gz PRYPKTICHYGJCB-VIFPVBQESA-N 1 2 248.330 0.926 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cnon3)C2)[nH]1 ZINC000852175485 583008484 /nfs/dbraw/zinc/00/84/84/583008484.db2.gz HBZNBDHZOLMHNM-QMMMGPOBSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cnon3)C2)[nH]1 ZINC000852175485 583008488 /nfs/dbraw/zinc/00/84/88/583008488.db2.gz HBZNBDHZOLMHNM-QMMMGPOBSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC000852175485 583008491 /nfs/dbraw/zinc/00/84/91/583008491.db2.gz HBZNBDHZOLMHNM-QMMMGPOBSA-N 1 2 234.263 0.486 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC000852175485 583008493 /nfs/dbraw/zinc/00/84/93/583008493.db2.gz HBZNBDHZOLMHNM-QMMMGPOBSA-N 1 2 234.263 0.486 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1c1nccn2c[nH+]cc12 ZINC000892944070 583014632 /nfs/dbraw/zinc/01/46/32/583014632.db2.gz NUDKPIPTZQXAED-ZJUUUORDSA-N 1 2 248.286 0.315 20 0 BCADLO CC[C@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000893029567 583032420 /nfs/dbraw/zinc/03/24/20/583032420.db2.gz NIQSLJGBQKNNNS-IONNQARKSA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@H]1O ZINC000893029567 583032422 /nfs/dbraw/zinc/03/24/22/583032422.db2.gz NIQSLJGBQKNNNS-IONNQARKSA-N 1 2 249.318 0.538 20 0 BCADLO C[C@@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000893080906 583044461 /nfs/dbraw/zinc/04/44/61/583044461.db2.gz VAHNPFHNHPYZPN-HTRCEHHLSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@H]1O ZINC000893080906 583044464 /nfs/dbraw/zinc/04/44/64/583044464.db2.gz VAHNPFHNHPYZPN-HTRCEHHLSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@H](O)c1cccc(N2CC(CO)C2)[nH+]1 ZINC000893142946 583056402 /nfs/dbraw/zinc/05/64/02/583056402.db2.gz WOVRRSBKQBTHDX-QMMMGPOBSA-N 1 2 208.261 0.563 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1c1cc(N(C)C)[nH+]cn1 ZINC000893274509 583082446 /nfs/dbraw/zinc/08/24/46/583082446.db2.gz PDNMUWCXBNWTHK-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1c1cc(N(C)C)nc[nH+]1 ZINC000893274509 583082448 /nfs/dbraw/zinc/08/24/48/583082448.db2.gz PDNMUWCXBNWTHK-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO Cn1cc(C[NH2+]CC(=O)NC2CC2)c(Cl)n1 ZINC000856765614 588876518 /nfs/dbraw/zinc/87/65/18/588876518.db2.gz LSICMIDABOTRFF-UHFFFAOYSA-N 1 2 242.710 0.442 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCSC2)c1 ZINC000893295143 583090466 /nfs/dbraw/zinc/09/04/66/583090466.db2.gz IPMVNGUCUVPMJA-QMMMGPOBSA-N 1 2 240.332 0.725 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=CCC1 ZINC000855429892 583103760 /nfs/dbraw/zinc/10/37/60/583103760.db2.gz RCXNRQFKMDXDPL-MNOVXSKESA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=CCC1 ZINC000855429892 583103763 /nfs/dbraw/zinc/10/37/63/583103763.db2.gz RCXNRQFKMDXDPL-MNOVXSKESA-N 1 2 224.304 0.542 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1cn[nH]n1 ZINC000398392602 583130716 /nfs/dbraw/zinc/13/07/16/583130716.db2.gz ZIVOYJFOZYYKMQ-UHFFFAOYSA-N 1 2 230.235 0.094 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1c[nH]nn1 ZINC000398392602 583130717 /nfs/dbraw/zinc/13/07/17/583130717.db2.gz ZIVOYJFOZYYKMQ-UHFFFAOYSA-N 1 2 230.235 0.094 20 0 BCADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cn(C)nn1 ZINC000893526605 583157929 /nfs/dbraw/zinc/15/79/29/583157929.db2.gz BOBGWYRJESQPFD-SECBINFHSA-N 1 2 247.258 0.622 20 0 BCADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1nnn(C)n1 ZINC000893533633 583158291 /nfs/dbraw/zinc/15/82/91/583158291.db2.gz KJBOJRDIROIAAD-ZETCQYMHSA-N 1 2 248.246 0.017 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000857015387 588882280 /nfs/dbraw/zinc/88/22/80/588882280.db2.gz ZQIYJBIIGSQICK-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000857015387 588882281 /nfs/dbraw/zinc/88/22/81/588882281.db2.gz ZQIYJBIIGSQICK-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000857024600 588882975 /nfs/dbraw/zinc/88/29/75/588882975.db2.gz PQFIYLVBAHZMQH-SNVBAGLBSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000857024600 588882976 /nfs/dbraw/zinc/88/29/76/588882976.db2.gz PQFIYLVBAHZMQH-SNVBAGLBSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000857024599 588883103 /nfs/dbraw/zinc/88/31/03/588883103.db2.gz PQFIYLVBAHZMQH-JTQLQIEISA-N 1 2 248.286 0.421 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000857024599 588883104 /nfs/dbraw/zinc/88/31/04/588883104.db2.gz PQFIYLVBAHZMQH-JTQLQIEISA-N 1 2 248.286 0.421 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1[nH+]ccn1C1CC1 ZINC000893710216 583208766 /nfs/dbraw/zinc/20/87/66/583208766.db2.gz DSXNYPUPJPCENZ-SNVBAGLBSA-N 1 2 248.330 0.881 20 0 BCADLO Cc1ncoc1C[N@H+](C)CC(=O)NC1CC1 ZINC000893911309 583245870 /nfs/dbraw/zinc/24/58/70/583245870.db2.gz OUHMZSZFXWCEDN-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1ncoc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000893911309 583245872 /nfs/dbraw/zinc/24/58/72/583245872.db2.gz OUHMZSZFXWCEDN-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000893950144 583260259 /nfs/dbraw/zinc/26/02/59/583260259.db2.gz BJMLCDVOPOGEIM-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc2[nH]c(=O)oc21 ZINC000893965384 583262612 /nfs/dbraw/zinc/26/26/12/583262612.db2.gz OSVKVBFVMZOZKW-UHFFFAOYSA-N 1 2 249.270 0.841 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc2[nH]c(=O)oc21 ZINC000893965384 583262613 /nfs/dbraw/zinc/26/26/13/583262613.db2.gz OSVKVBFVMZOZKW-UHFFFAOYSA-N 1 2 249.270 0.841 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ocnc1C ZINC000893970014 583263930 /nfs/dbraw/zinc/26/39/30/583263930.db2.gz XAZJPNWKIPOILZ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ocnc1C ZINC000893970014 583263933 /nfs/dbraw/zinc/26/39/33/583263933.db2.gz XAZJPNWKIPOILZ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO Cc1ccnc(N)c1C[N@@H+]1CCCNC(=O)C1 ZINC000893976478 583264792 /nfs/dbraw/zinc/26/47/92/583264792.db2.gz SXJKJTPJSNETNZ-UHFFFAOYSA-N 1 2 234.303 0.294 20 0 BCADLO Cc1ccnc(N)c1C[N@H+]1CCCNC(=O)C1 ZINC000893976478 583264795 /nfs/dbraw/zinc/26/47/95/583264795.db2.gz SXJKJTPJSNETNZ-UHFFFAOYSA-N 1 2 234.303 0.294 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000893984955 583269108 /nfs/dbraw/zinc/26/91/08/583269108.db2.gz VTVGLUXXDTVNRZ-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000893984955 583269110 /nfs/dbraw/zinc/26/91/10/583269110.db2.gz VTVGLUXXDTVNRZ-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCNC(=O)CC1 ZINC000894003848 583272003 /nfs/dbraw/zinc/27/20/03/583272003.db2.gz SURSZNZERFTTBA-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1ncoc1C[N@H+]1CCNC(=O)CC1 ZINC000894003848 583272005 /nfs/dbraw/zinc/27/20/05/583272005.db2.gz SURSZNZERFTTBA-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO COCC[N@H+](Cc1ocnc1C)[C@H](C)C(N)=O ZINC000894005144 583272531 /nfs/dbraw/zinc/27/25/31/583272531.db2.gz BIXNUBDWMZMIAY-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1ocnc1C)[C@H](C)C(N)=O ZINC000894005144 583272533 /nfs/dbraw/zinc/27/25/33/583272533.db2.gz BIXNUBDWMZMIAY-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO CC[C@H](CO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000894015699 583276046 /nfs/dbraw/zinc/27/60/46/583276046.db2.gz BGXLVTGBVRSAGX-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO CC[C@H](CO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000894015699 583276049 /nfs/dbraw/zinc/27/60/49/583276049.db2.gz BGXLVTGBVRSAGX-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCn3cnnc3C2)c1C ZINC000894014230 583276118 /nfs/dbraw/zinc/27/61/18/583276118.db2.gz XXJNKZUVRGXHDL-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCn3cnnc3C2)c1C ZINC000894014230 583276119 /nfs/dbraw/zinc/27/61/19/583276119.db2.gz XXJNKZUVRGXHDL-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1coc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000894086523 583295272 /nfs/dbraw/zinc/29/52/72/583295272.db2.gz WYKSHUXUXLNWST-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO Cc1coc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000894086523 583295274 /nfs/dbraw/zinc/29/52/74/583295274.db2.gz WYKSHUXUXLNWST-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CC(=O)N1 ZINC000894070787 583296724 /nfs/dbraw/zinc/29/67/24/583296724.db2.gz GPWSLTTUVQTSIA-MRVPVSSYSA-N 1 2 231.259 0.054 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2nccn3c[nH+]cc23)C1 ZINC000894126906 583312341 /nfs/dbraw/zinc/31/23/41/583312341.db2.gz HGWFRJRRADWZDV-ZJUUUORDSA-N 1 2 232.287 0.936 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC000894147150 583318684 /nfs/dbraw/zinc/31/86/84/583318684.db2.gz FNUCUCIBEYEXKV-RKDXNWHRSA-N 1 2 222.292 0.868 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000894147150 583318687 /nfs/dbraw/zinc/31/86/87/583318687.db2.gz FNUCUCIBEYEXKV-RKDXNWHRSA-N 1 2 222.292 0.868 20 0 BCADLO CNc1cc(N[C@H](CO)c2ccnn2C)nc[nH+]1 ZINC000894161797 583321354 /nfs/dbraw/zinc/32/13/54/583321354.db2.gz KBFJHTJEIIMDSF-MRVPVSSYSA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(N[C@H](CO)c2ccnn2C)[nH+]cn1 ZINC000894161797 583321358 /nfs/dbraw/zinc/32/13/58/583321358.db2.gz KBFJHTJEIIMDSF-MRVPVSSYSA-N 1 2 248.290 0.397 20 0 BCADLO CC(C)OCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000894174704 583326878 /nfs/dbraw/zinc/32/68/78/583326878.db2.gz MTAXZCGLQFZYTA-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO CNc1cc(N2CCO[C@@H](CF)C2)nc[nH+]1 ZINC000894180885 583330787 /nfs/dbraw/zinc/33/07/87/583330787.db2.gz GRNMMJBKYIMUPW-QMMMGPOBSA-N 1 2 226.255 0.693 20 0 BCADLO CNc1cc(N2CCO[C@@H](CF)C2)[nH+]cn1 ZINC000894180885 583330790 /nfs/dbraw/zinc/33/07/90/583330790.db2.gz GRNMMJBKYIMUPW-QMMMGPOBSA-N 1 2 226.255 0.693 20 0 BCADLO CC(C)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726262020 583344132 /nfs/dbraw/zinc/34/41/32/583344132.db2.gz WAFYMDKXUCOEPL-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726262020 583344133 /nfs/dbraw/zinc/34/41/33/583344133.db2.gz WAFYMDKXUCOEPL-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCCNC(=O)C1 ZINC000726790824 583374402 /nfs/dbraw/zinc/37/44/02/583374402.db2.gz KCSXJMFTRLNPBB-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCCNC(=O)C1 ZINC000726790824 583374403 /nfs/dbraw/zinc/37/44/03/583374403.db2.gz KCSXJMFTRLNPBB-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCCNC(=O)C1 ZINC000726790153 583374415 /nfs/dbraw/zinc/37/44/15/583374415.db2.gz AGFYRFYNSCVXNM-SNVBAGLBSA-N 1 2 219.288 0.965 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCCNC(=O)C1 ZINC000726790153 583374416 /nfs/dbraw/zinc/37/44/16/583374416.db2.gz AGFYRFYNSCVXNM-SNVBAGLBSA-N 1 2 219.288 0.965 20 0 BCADLO O=C1CN(Cc2cn3ccccc3[nH+]2)CCCN1 ZINC000726843390 583378001 /nfs/dbraw/zinc/37/80/01/583378001.db2.gz CPRFJFXBIOXZCW-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894247754 583390526 /nfs/dbraw/zinc/39/05/26/583390526.db2.gz HMFAQKNMSXURRX-VIFPVBQESA-N 1 2 249.318 0.115 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894247754 583390529 /nfs/dbraw/zinc/39/05/29/583390529.db2.gz HMFAQKNMSXURRX-VIFPVBQESA-N 1 2 249.318 0.115 20 0 BCADLO CC1(C)CNC(=O)CN1Cc1[nH+]ccn1C1CC1 ZINC000894262772 583399883 /nfs/dbraw/zinc/39/98/83/583399883.db2.gz LDCYJLFBKDMHMZ-UHFFFAOYSA-N 1 2 248.330 0.928 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cocn2)C1(F)F ZINC000894276053 583405917 /nfs/dbraw/zinc/40/59/17/583405917.db2.gz MMGSZEMGOYLAOJ-SFYZADRCSA-N 1 2 246.213 0.819 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894354712 583434294 /nfs/dbraw/zinc/43/42/94/583434294.db2.gz NTGGCXYKZYXQMA-RKDXNWHRSA-N 1 2 238.291 0.368 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894354712 583434296 /nfs/dbraw/zinc/43/42/96/583434296.db2.gz NTGGCXYKZYXQMA-RKDXNWHRSA-N 1 2 238.291 0.368 20 0 BCADLO CC[C@@]1(C)C[N@H+](CN2CCC2=O)CCO1 ZINC000857234740 588899115 /nfs/dbraw/zinc/89/91/15/588899115.db2.gz LZUJWWQQSQHXAR-NSHDSACASA-N 1 2 212.293 0.677 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CN2CCC2=O)CCO1 ZINC000857234740 588899117 /nfs/dbraw/zinc/89/91/17/588899117.db2.gz LZUJWWQQSQHXAR-NSHDSACASA-N 1 2 212.293 0.677 20 0 BCADLO C[C@H](O)c1cccc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC000894388754 583445183 /nfs/dbraw/zinc/44/51/83/583445183.db2.gz KRJYMYPLWNKLFI-XHNCKOQMSA-N 1 2 235.287 0.811 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1nccn2c[nH+]cc12 ZINC000894388246 583445554 /nfs/dbraw/zinc/44/55/54/583445554.db2.gz AJHHDXSZYROIRY-NXEZZACHSA-N 1 2 248.286 0.315 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1nccn2c[nH+]cc12 ZINC000894388110 583445560 /nfs/dbraw/zinc/44/55/60/583445560.db2.gz AJHHDXSZYROIRY-VHSXEESVSA-N 1 2 248.286 0.315 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000857235298 588899674 /nfs/dbraw/zinc/89/96/74/588899674.db2.gz RBYSCWJQOPPWBN-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO O=C1CCN1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000857235298 588899676 /nfs/dbraw/zinc/89/96/76/588899676.db2.gz RBYSCWJQOPPWBN-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO Cc1coc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000894422224 583457810 /nfs/dbraw/zinc/45/78/10/583457810.db2.gz HOLQGMBPMPDTAI-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO Cc1coc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000894422224 583457813 /nfs/dbraw/zinc/45/78/13/583457813.db2.gz HOLQGMBPMPDTAI-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+]Cc1nonc1C ZINC000894465522 583467759 /nfs/dbraw/zinc/46/77/59/583467759.db2.gz YNLLXSIYJOVNKK-LURJTMIESA-N 1 2 213.237 0.419 20 0 BCADLO CNC(=O)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141440 583474455 /nfs/dbraw/zinc/47/44/55/583474455.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 1 2 239.363 0.681 20 0 BCADLO CNC(=O)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141440 583474456 /nfs/dbraw/zinc/47/44/56/583474456.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 1 2 239.363 0.681 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnnn2C)o1 ZINC000894518570 583477085 /nfs/dbraw/zinc/47/70/85/583477085.db2.gz GXWDQABDXRFYPF-UHFFFAOYSA-N 1 2 222.248 0.707 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1C ZINC000894539811 583480780 /nfs/dbraw/zinc/48/07/80/583480780.db2.gz WSDQIDYYRGEODC-XCBNKYQSSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C ZINC000894539811 583480782 /nfs/dbraw/zinc/48/07/82/583480782.db2.gz WSDQIDYYRGEODC-XCBNKYQSSA-N 1 2 209.293 0.982 20 0 BCADLO CC(C)(C)OC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000857764378 588910350 /nfs/dbraw/zinc/91/03/50/588910350.db2.gz QJCFLPZJBZASAS-UHFFFAOYSA-N 1 2 237.259 0.944 20 0 BCADLO CNc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc[nH+]1 ZINC000894564741 583484412 /nfs/dbraw/zinc/48/44/12/583484412.db2.gz DVUAUTBVCCCXNF-GZMMTYOYSA-N 1 2 220.276 0.479 20 0 BCADLO CNc1cc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]cn1 ZINC000894564741 583484414 /nfs/dbraw/zinc/48/44/14/583484414.db2.gz DVUAUTBVCCCXNF-GZMMTYOYSA-N 1 2 220.276 0.479 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@@H+]2CCOC[C@H]2C)C1(F)F ZINC000894573773 583486737 /nfs/dbraw/zinc/48/67/37/583486737.db2.gz XCJKTTFLQUVAEW-HRDYMLBCSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@H+]2CCOC[C@H]2C)C1(F)F ZINC000894573773 583486738 /nfs/dbraw/zinc/48/67/38/583486738.db2.gz XCJKTTFLQUVAEW-HRDYMLBCSA-N 1 2 249.257 0.761 20 0 BCADLO CN(C)c1cc(NCCOCCF)[nH+]cn1 ZINC000894649898 583499988 /nfs/dbraw/zinc/49/99/88/583499988.db2.gz SVFLIRGVPZJUCF-UHFFFAOYSA-N 1 2 228.271 0.941 20 0 BCADLO CN(C)c1cc(NCCOCCF)nc[nH+]1 ZINC000894649898 583499990 /nfs/dbraw/zinc/49/99/90/583499990.db2.gz SVFLIRGVPZJUCF-UHFFFAOYSA-N 1 2 228.271 0.941 20 0 BCADLO Cn1nc(Br)nc1C[NH2+]CCF ZINC000894646890 583500141 /nfs/dbraw/zinc/50/01/41/583500141.db2.gz ALACLZNDFIKGNE-UHFFFAOYSA-N 1 2 237.076 0.637 20 0 BCADLO Cc1coc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000894685549 583507068 /nfs/dbraw/zinc/50/70/68/583507068.db2.gz FEXUEFPFFRHQIG-UHFFFAOYSA-N 1 2 238.287 0.225 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C2CC2)CC(=O)N1 ZINC000894731122 583513305 /nfs/dbraw/zinc/51/33/05/583513305.db2.gz ZOPFIVREUMHONH-VIFPVBQESA-N 1 2 234.303 0.538 20 0 BCADLO CN(C)c1cc(N2CC3(C2)CCCO3)nc[nH+]1 ZINC000894731395 583513544 /nfs/dbraw/zinc/51/35/44/583513544.db2.gz QVERCJFQSGSKBD-UHFFFAOYSA-N 1 2 234.303 0.912 20 0 BCADLO CN(C)c1cc(N2CC3(C2)CCCO3)[nH+]cn1 ZINC000894731395 583513547 /nfs/dbraw/zinc/51/35/47/583513547.db2.gz QVERCJFQSGSKBD-UHFFFAOYSA-N 1 2 234.303 0.912 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cccc2nncn21 ZINC000894761831 583518379 /nfs/dbraw/zinc/51/83/79/583518379.db2.gz YEWHAVDARBZVII-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cccc2nncn21 ZINC000894761831 583518380 /nfs/dbraw/zinc/51/83/80/583518380.db2.gz YEWHAVDARBZVII-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000894778786 583520041 /nfs/dbraw/zinc/52/00/41/583520041.db2.gz SJPHLHYYEVGJNP-XHNCKOQMSA-N 1 2 215.293 0.830 20 0 BCADLO Cc1cc[nH+]c(N)c1CN(C)Cc1nncn1C ZINC000894780841 583520817 /nfs/dbraw/zinc/52/08/17/583520817.db2.gz KCMCYTZDIDKGIL-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO C[C@@H](CC1CC1)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806245 583522988 /nfs/dbraw/zinc/52/29/88/583522988.db2.gz LMVOKTVOGUTMRO-VIFPVBQESA-N 1 2 236.319 0.775 20 0 BCADLO C[C@@H](CC1CC1)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806245 583522989 /nfs/dbraw/zinc/52/29/89/583522989.db2.gz LMVOKTVOGUTMRO-VIFPVBQESA-N 1 2 236.319 0.775 20 0 BCADLO CO[C@H](C)[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894810253 583523649 /nfs/dbraw/zinc/52/36/49/583523649.db2.gz STQJZTSXFSJDTJ-DTWKUNHWSA-N 1 2 240.307 0.009 20 0 BCADLO CO[C@H](C)[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894810253 583523650 /nfs/dbraw/zinc/52/36/50/583523650.db2.gz STQJZTSXFSJDTJ-DTWKUNHWSA-N 1 2 240.307 0.009 20 0 BCADLO C[C@@H](C1CC1)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806824 583523654 /nfs/dbraw/zinc/52/36/54/583523654.db2.gz RXEWHISUXPQREW-QMMMGPOBSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@@H](C1CC1)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806824 583523655 /nfs/dbraw/zinc/52/36/55/583523655.db2.gz RXEWHISUXPQREW-QMMMGPOBSA-N 1 2 222.292 0.385 20 0 BCADLO COC1C[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000894819750 583524823 /nfs/dbraw/zinc/52/48/23/583524823.db2.gz PYPDDOMNRQYQRS-WDEREUQCSA-N 1 2 245.294 0.951 20 0 BCADLO COC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000894820545 583525115 /nfs/dbraw/zinc/52/51/15/583525115.db2.gz WZJOUJWCFGJWGA-VIFPVBQESA-N 1 2 201.266 0.469 20 0 BCADLO CC1(O)C[NH+](Cc2cn3ccnc3s2)C1 ZINC000894831356 583528255 /nfs/dbraw/zinc/52/82/55/583528255.db2.gz VNNMUGPYSICYSK-UHFFFAOYSA-N 1 2 223.301 0.962 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C ZINC000894841742 583529889 /nfs/dbraw/zinc/52/98/89/583529889.db2.gz ZWHCHKQYLMXZMJ-URLYPYJESA-N 1 2 221.304 0.697 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C ZINC000894841742 583529891 /nfs/dbraw/zinc/52/98/91/583529891.db2.gz ZWHCHKQYLMXZMJ-URLYPYJESA-N 1 2 221.304 0.697 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000894862264 583535237 /nfs/dbraw/zinc/53/52/37/583535237.db2.gz VWYLUDWLIXPIPD-DJLDLDEBSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000894862264 583535238 /nfs/dbraw/zinc/53/52/38/583535238.db2.gz VWYLUDWLIXPIPD-DJLDLDEBSA-N 1 2 249.257 0.761 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC/C=C/Cl ZINC000894914747 583555477 /nfs/dbraw/zinc/55/54/77/583555477.db2.gz XSTLOYMJWAVYDY-NSCUHMNNSA-N 1 2 228.683 0.972 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH+]2CC(OC)C2)C1(F)F ZINC000894970594 583561314 /nfs/dbraw/zinc/56/13/14/583561314.db2.gz IDQSBONCNXBDCV-SFYZADRCSA-N 1 2 235.230 0.371 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH+]2CC(OC)C2)C1(F)F ZINC000894970595 583561503 /nfs/dbraw/zinc/56/15/03/583561503.db2.gz IDQSBONCNXBDCV-YUMQZZPRSA-N 1 2 235.230 0.371 20 0 BCADLO CCC[C@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000894975374 583562027 /nfs/dbraw/zinc/56/20/27/583562027.db2.gz LPQKQVUFLFJXRQ-ONGXEEELSA-N 1 2 217.309 0.936 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cccnc1Cl ZINC000895041305 583571355 /nfs/dbraw/zinc/57/13/55/583571355.db2.gz QOJPOYQLVDFFSY-UHFFFAOYSA-N 1 2 243.694 0.844 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000895046450 583571775 /nfs/dbraw/zinc/57/17/75/583571775.db2.gz MHSNTPOFRVDNDQ-UHFFFAOYSA-N 1 2 249.723 0.906 20 0 BCADLO Cc1nnccc1C(=O)OCCc1c[nH+]cn1C ZINC000793257030 583579379 /nfs/dbraw/zinc/57/93/79/583579379.db2.gz RWQLAZSXUSYXPA-UHFFFAOYSA-N 1 2 246.270 0.918 20 0 BCADLO OCc1cc[nH+]c(NC[C@H](O)C(F)(F)F)c1 ZINC000881856672 583586697 /nfs/dbraw/zinc/58/66/97/583586697.db2.gz QZPVOMJVXOPXAI-ZETCQYMHSA-N 1 2 236.193 0.909 20 0 BCADLO Cc1ccc(N2CC[NH+](CC(N)=O)CC2)c(C)c1 ZINC000141561447 583587854 /nfs/dbraw/zinc/58/78/54/583587854.db2.gz NPPFKZFKMFNVBD-UHFFFAOYSA-N 1 2 247.342 0.911 20 0 BCADLO CC(=O)NCCN(C)Cc1[nH+]ccn1C1CC1 ZINC000895109698 583589775 /nfs/dbraw/zinc/58/97/75/583589775.db2.gz UMNRNSBSDZYBKR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nccn1C1CC1 ZINC000895109698 583589777 /nfs/dbraw/zinc/58/97/77/583589777.db2.gz UMNRNSBSDZYBKR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nccn1C1CC1 ZINC000895109698 583589779 /nfs/dbraw/zinc/58/97/79/583589779.db2.gz UMNRNSBSDZYBKR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cnn(C)c2)[C@H]1C ZINC000895113287 583591057 /nfs/dbraw/zinc/59/10/57/583591057.db2.gz IGVOTZAGCOOEQI-GUBZILKMSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cnn(C)c2)[C@H]1C ZINC000895113287 583591059 /nfs/dbraw/zinc/59/10/59/583591059.db2.gz IGVOTZAGCOOEQI-GUBZILKMSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1[nH+]ccn1C ZINC000895113416 583591897 /nfs/dbraw/zinc/59/18/97/583591897.db2.gz JKVVHEBXCUDRNW-LPEHRKFASA-N 1 2 236.319 0.517 20 0 BCADLO Cc1cc(N2CCn3nc(N)cc3C2)nc[nH+]1 ZINC000895123508 583596796 /nfs/dbraw/zinc/59/67/96/583596796.db2.gz KSZPICWNQRXYDH-UHFFFAOYSA-N 1 2 230.275 0.584 20 0 BCADLO CO[C@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794688819 583617560 /nfs/dbraw/zinc/61/75/60/583617560.db2.gz SOMQPINHOJTPOB-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)nc[nH+]1 ZINC000895207313 583626039 /nfs/dbraw/zinc/62/60/39/583626039.db2.gz KGWKUULNQQWVAM-AXFHLTTASA-N 1 2 248.330 0.750 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]cn1 ZINC000895207313 583626040 /nfs/dbraw/zinc/62/60/40/583626040.db2.gz KGWKUULNQQWVAM-AXFHLTTASA-N 1 2 248.330 0.750 20 0 BCADLO O=C1OCCN1CC[N@@H+]1Cc2ccncc2C1 ZINC000857873864 588918360 /nfs/dbraw/zinc/91/83/60/588918360.db2.gz CBVPTWUDLNRMGG-UHFFFAOYSA-N 1 2 233.271 0.849 20 0 BCADLO O=C1OCCN1CC[N@H+]1Cc2ccncc2C1 ZINC000857873864 588918361 /nfs/dbraw/zinc/91/83/61/588918361.db2.gz CBVPTWUDLNRMGG-UHFFFAOYSA-N 1 2 233.271 0.849 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000857878051 588918616 /nfs/dbraw/zinc/91/86/16/588918616.db2.gz TUBVWOQJODTFQI-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000857878051 588918617 /nfs/dbraw/zinc/91/86/17/588918617.db2.gz TUBVWOQJODTFQI-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1nccs1 ZINC000895315353 583648157 /nfs/dbraw/zinc/64/81/57/583648157.db2.gz FOOVUXRUBJBFIZ-QMMMGPOBSA-N 1 2 225.317 0.757 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1Cc2ccncc2C1 ZINC000857877654 588918755 /nfs/dbraw/zinc/91/87/55/588918755.db2.gz HNZSVSAZIOVXSH-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1Cc2ccncc2C1 ZINC000857877654 588918757 /nfs/dbraw/zinc/91/87/57/588918757.db2.gz HNZSVSAZIOVXSH-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895330347 583653019 /nfs/dbraw/zinc/65/30/19/583653019.db2.gz LHSLGLKLXCEDAF-QWRGUYRKSA-N 1 2 225.292 0.036 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895330347 583653020 /nfs/dbraw/zinc/65/30/20/583653020.db2.gz LHSLGLKLXCEDAF-QWRGUYRKSA-N 1 2 225.292 0.036 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCc3nn[nH]c3C2)c1C ZINC000895353449 583657519 /nfs/dbraw/zinc/65/75/19/583657519.db2.gz ILHMJJXVMPSLPL-UHFFFAOYSA-N 1 2 232.291 0.703 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCc3nn[nH]c3C2)c1C ZINC000895353449 583657520 /nfs/dbraw/zinc/65/75/20/583657520.db2.gz ILHMJJXVMPSLPL-UHFFFAOYSA-N 1 2 232.291 0.703 20 0 BCADLO Cc1coc(C[N@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000895357859 583658029 /nfs/dbraw/zinc/65/80/29/583658029.db2.gz MVNQOMZUIBYBPV-LLVKDONJSA-N 1 2 224.304 0.696 20 0 BCADLO Cc1coc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000895357859 583658030 /nfs/dbraw/zinc/65/80/30/583658030.db2.gz MVNQOMZUIBYBPV-LLVKDONJSA-N 1 2 224.304 0.696 20 0 BCADLO CCn1ncc(CNCc2c(C)cc[nH+]c2N)n1 ZINC000895389961 583663780 /nfs/dbraw/zinc/66/37/80/583663780.db2.gz UBSFJDAIPBUNOO-UHFFFAOYSA-N 1 2 246.318 0.873 20 0 BCADLO CC[C@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396837 583664728 /nfs/dbraw/zinc/66/47/28/583664728.db2.gz CSCHZBFVYJUKEL-QMMMGPOBSA-N 1 2 205.323 0.761 20 0 BCADLO CC[C@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396837 583664731 /nfs/dbraw/zinc/66/47/31/583664731.db2.gz CSCHZBFVYJUKEL-QMMMGPOBSA-N 1 2 205.323 0.761 20 0 BCADLO CC(C)CC[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396882 583664799 /nfs/dbraw/zinc/66/47/99/583664799.db2.gz CVDHQCAIUKBNFO-UHFFFAOYSA-N 1 2 205.323 0.761 20 0 BCADLO CC(C)CC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396882 583664801 /nfs/dbraw/zinc/66/48/01/583664801.db2.gz CVDHQCAIUKBNFO-UHFFFAOYSA-N 1 2 205.323 0.761 20 0 BCADLO C[C@H]1C[C@H](C[N@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397304 583664880 /nfs/dbraw/zinc/66/48/80/583664880.db2.gz FJLKOYFBAXFJTB-VHSXEESVSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[C@H](C[N@@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397304 583664881 /nfs/dbraw/zinc/66/48/81/583664881.db2.gz FJLKOYFBAXFJTB-VHSXEESVSA-N 1 2 247.360 0.530 20 0 BCADLO CO[C@](C)(C[N@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895399089 583666130 /nfs/dbraw/zinc/66/61/30/583666130.db2.gz IZLCLEVNKOLZKM-LLVKDONJSA-N 1 2 247.360 0.530 20 0 BCADLO CO[C@](C)(C[N@@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895399089 583666132 /nfs/dbraw/zinc/66/61/32/583666132.db2.gz IZLCLEVNKOLZKM-LLVKDONJSA-N 1 2 247.360 0.530 20 0 BCADLO Cc1cnc(F)cc1C(=O)N1CC[NH+](C)CC1 ZINC000895427902 583668430 /nfs/dbraw/zinc/66/84/30/583668430.db2.gz NAACSFXIVWMILU-UHFFFAOYSA-N 1 2 237.278 0.917 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(C(F)F)CC1 ZINC000857884490 588920484 /nfs/dbraw/zinc/92/04/84/588920484.db2.gz JDSGIKIWIDDWJD-ZETCQYMHSA-N 1 2 241.241 0.969 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H]1C(F)F ZINC000857885880 588920490 /nfs/dbraw/zinc/92/04/90/588920490.db2.gz PPOYTXHEALBJJE-XVYDVKMFSA-N 1 2 241.241 0.825 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCO1 ZINC000857885659 588920831 /nfs/dbraw/zinc/92/08/31/588920831.db2.gz YJWGXUVYAXPFET-MFKMUULPSA-N 1 2 249.314 0.883 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000895473342 583679573 /nfs/dbraw/zinc/67/95/73/583679573.db2.gz NWLAVXCCLAJKIA-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000895473342 583679574 /nfs/dbraw/zinc/67/95/74/583679574.db2.gz NWLAVXCCLAJKIA-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)o1 ZINC000895473340 583679675 /nfs/dbraw/zinc/67/96/75/583679675.db2.gz NNZBFYOPZPWELI-UHFFFAOYSA-N 1 2 212.249 0.466 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)o1 ZINC000895473340 583679676 /nfs/dbraw/zinc/67/96/76/583679676.db2.gz NNZBFYOPZPWELI-UHFFFAOYSA-N 1 2 212.249 0.466 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccnc(F)c1 ZINC000857886981 588921196 /nfs/dbraw/zinc/92/11/96/588921196.db2.gz GOAUUSZBXHPIHV-VIFPVBQESA-N 1 2 246.245 0.772 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857943519 588924392 /nfs/dbraw/zinc/92/43/92/588924392.db2.gz FDYYXYCWTNKXPO-MRVPVSSYSA-N 1 2 247.258 0.319 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886744 588921232 /nfs/dbraw/zinc/92/12/32/588921232.db2.gz COTFMAQCBFJNDI-BDAKNGLRSA-N 1 2 223.276 0.349 20 0 BCADLO c1[nH]nnc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000895532214 583685517 /nfs/dbraw/zinc/68/55/17/583685517.db2.gz NSAPWSBTFVTKAI-MRVPVSSYSA-N 1 2 208.265 0.606 20 0 BCADLO c1n[nH]nc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000895532214 583685518 /nfs/dbraw/zinc/68/55/18/583685518.db2.gz NSAPWSBTFVTKAI-MRVPVSSYSA-N 1 2 208.265 0.606 20 0 BCADLO Cc1cc(F)ncc1C[NH2+]Cc1cnn[nH]1 ZINC000895534999 583686244 /nfs/dbraw/zinc/68/62/44/583686244.db2.gz XTXPWYLZOJEOFD-UHFFFAOYSA-N 1 2 221.239 0.937 20 0 BCADLO CS/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888780 588921490 /nfs/dbraw/zinc/92/14/90/588921490.db2.gz DBGFIXUVIOYNLN-KZUAUGPASA-N 1 2 223.301 0.801 20 0 BCADLO COc1nccc(C[NH+](CCO)CCO)c1F ZINC000895541015 583688166 /nfs/dbraw/zinc/68/81/66/583688166.db2.gz MRFBTPVDYZNHIS-UHFFFAOYSA-N 1 2 244.266 0.016 20 0 BCADLO CONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895621880 583697067 /nfs/dbraw/zinc/69/70/67/583697067.db2.gz CSOQORYKKMZMNC-VIFPVBQESA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895621880 583697069 /nfs/dbraw/zinc/69/70/69/583697069.db2.gz CSOQORYKKMZMNC-VIFPVBQESA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895621880 583697070 /nfs/dbraw/zinc/69/70/70/583697070.db2.gz CSOQORYKKMZMNC-VIFPVBQESA-N 1 2 224.264 0.468 20 0 BCADLO CONC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000895621880 583697072 /nfs/dbraw/zinc/69/70/72/583697072.db2.gz CSOQORYKKMZMNC-VIFPVBQESA-N 1 2 224.264 0.468 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1ccc(Cl)nn1)C2 ZINC000895655636 583701602 /nfs/dbraw/zinc/70/16/02/583701602.db2.gz WGGTZFHMDPCSMK-XVKPBYJWSA-N 1 2 225.679 0.697 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)nn1)C2 ZINC000895655636 583701603 /nfs/dbraw/zinc/70/16/03/583701603.db2.gz WGGTZFHMDPCSMK-XVKPBYJWSA-N 1 2 225.679 0.697 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000895651651 583703214 /nfs/dbraw/zinc/70/32/14/583703214.db2.gz AUANALZVKCMCNJ-RCOVLWMOSA-N 1 2 247.220 0.995 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000895651651 583703216 /nfs/dbraw/zinc/70/32/16/583703216.db2.gz AUANALZVKCMCNJ-RCOVLWMOSA-N 1 2 247.220 0.995 20 0 BCADLO Cc1c(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nn1C ZINC000895652757 583703977 /nfs/dbraw/zinc/70/39/77/583703977.db2.gz JUGDNYLHUVYCQT-LDYMZIIASA-N 1 2 241.722 0.949 20 0 BCADLO Cc1c(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nn1C ZINC000895652757 583703979 /nfs/dbraw/zinc/70/39/79/583703979.db2.gz JUGDNYLHUVYCQT-LDYMZIIASA-N 1 2 241.722 0.949 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCn2ccnc21 ZINC000857908986 588923354 /nfs/dbraw/zinc/92/33/54/588923354.db2.gz FRNONDODNACCEL-UHFFFAOYSA-N 1 2 245.286 0.907 20 0 BCADLO FC(F)c1noc(C[NH2+][C@@H]2CCOC2)n1 ZINC000895727447 583713646 /nfs/dbraw/zinc/71/36/46/583713646.db2.gz SSCNSYYGDLIFBV-RXMQYKEDSA-N 1 2 219.191 0.886 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H](C)O ZINC000895744228 583715898 /nfs/dbraw/zinc/71/58/98/583715898.db2.gz YBVZGPCZMZVSJZ-NGZCFLSTSA-N 1 2 245.319 0.314 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CSC[C@@H]1C)[C@@H](C)O ZINC000895743639 583715924 /nfs/dbraw/zinc/71/59/24/583715924.db2.gz JCXXMOLJCCRYQN-KDXUFGMBSA-N 1 2 233.333 0.250 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895809398 583730563 /nfs/dbraw/zinc/73/05/63/583730563.db2.gz UPTHIVHBJBZKJD-CSMHCCOUSA-N 1 2 201.291 0.786 20 0 BCADLO CC[C@](C)(C[NH2+][C@H]1CCOC1=O)OC ZINC000895808354 583732639 /nfs/dbraw/zinc/73/26/39/583732639.db2.gz GMKOHQLMJAQOFK-WCBMZHEXSA-N 1 2 201.266 0.707 20 0 BCADLO CC[C@@H](C)[C@H](C[NH2+][C@H]1CCOC1=O)OC ZINC000895808136 583732852 /nfs/dbraw/zinc/73/28/52/583732852.db2.gz AWKFOSBUCZLITM-UTLUCORTSA-N 1 2 215.293 0.953 20 0 BCADLO CCO/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944331 588925108 /nfs/dbraw/zinc/92/51/08/588925108.db2.gz LFBFPYNYPLBASN-OAQKJQOQSA-N 1 2 235.287 0.864 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1nnc[nH]1 ZINC000895817802 583734332 /nfs/dbraw/zinc/73/43/32/583734332.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1nnc[nH]1 ZINC000895817802 583734333 /nfs/dbraw/zinc/73/43/33/583734333.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000895817802 583734334 /nfs/dbraw/zinc/73/43/34/583734334.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000895817802 583734335 /nfs/dbraw/zinc/73/43/35/583734335.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 1 2 237.307 0.294 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cncnc1 ZINC000857982755 588925577 /nfs/dbraw/zinc/92/55/77/588925577.db2.gz RJLSOURGUYHJMC-SECBINFHSA-N 1 2 229.243 0.548 20 0 BCADLO CCN1CCC[C@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000895899725 583740973 /nfs/dbraw/zinc/74/09/73/583740973.db2.gz QIRSQFGLOUOQRZ-NSHDSACASA-N 1 2 249.314 0.997 20 0 BCADLO CCc1cc(C)[nH+]c(N2CCOCN2)n1 ZINC000895922656 583746957 /nfs/dbraw/zinc/74/69/57/583746957.db2.gz KXIRXBJOPFBVBQ-UHFFFAOYSA-N 1 2 208.265 0.646 20 0 BCADLO CCc1cc(C)nc(N2CCOCN2)[nH+]1 ZINC000895922656 583746958 /nfs/dbraw/zinc/74/69/58/583746958.db2.gz KXIRXBJOPFBVBQ-UHFFFAOYSA-N 1 2 208.265 0.646 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cocn1 ZINC000857985763 588926256 /nfs/dbraw/zinc/92/62/56/588926256.db2.gz JADNXOUOJPYEKS-ZETCQYMHSA-N 1 2 218.216 0.746 20 0 BCADLO COc1ccc(C[N@H+](C)CCS(N)(=O)=O)o1 ZINC000895943944 583751086 /nfs/dbraw/zinc/75/10/86/583751086.db2.gz ISZHQGNUXBHYAZ-UHFFFAOYSA-N 1 2 248.304 0.009 20 0 BCADLO COc1ccc(C[N@@H+](C)CCS(N)(=O)=O)o1 ZINC000895943944 583751088 /nfs/dbraw/zinc/75/10/88/583751088.db2.gz ISZHQGNUXBHYAZ-UHFFFAOYSA-N 1 2 248.304 0.009 20 0 BCADLO O=C(CC1(O)CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976741 588926444 /nfs/dbraw/zinc/92/64/44/588926444.db2.gz KWPQMBCEWDCLQG-SECBINFHSA-N 1 2 235.287 0.749 20 0 BCADLO CCn1cc(C[NH+]2CC(COC)C2)nn1 ZINC000895975629 583752953 /nfs/dbraw/zinc/75/29/53/583752953.db2.gz DFZUTUCJMHCMNF-UHFFFAOYSA-N 1 2 210.281 0.376 20 0 BCADLO CCn1ncnc1C[NH+]1CC(COC)C1 ZINC000895974267 583756667 /nfs/dbraw/zinc/75/66/67/583756667.db2.gz CUCDGTKATPPAFE-UHFFFAOYSA-N 1 2 210.281 0.376 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2ccccn2)CS1(=O)=O ZINC000895980248 583757356 /nfs/dbraw/zinc/75/73/56/583757356.db2.gz RQWMPMICKFGPAA-JTQLQIEISA-N 1 2 240.328 0.747 20 0 BCADLO Cn1cncc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895979166 583757628 /nfs/dbraw/zinc/75/76/28/583757628.db2.gz YXJWDNYMFPMKKR-VIFPVBQESA-N 1 2 243.332 0.085 20 0 BCADLO Cn1c[nH+]cc1CN[C@H]1CS(=O)(=O)C1(C)C ZINC000895979166 583757629 /nfs/dbraw/zinc/75/76/29/583757629.db2.gz YXJWDNYMFPMKKR-VIFPVBQESA-N 1 2 243.332 0.085 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H](O)C1CC1 ZINC000857978025 588927056 /nfs/dbraw/zinc/92/70/56/588927056.db2.gz AUTAGMWARZZONE-WPRPVWTQSA-N 1 2 221.260 0.215 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCO1 ZINC000857979815 588927268 /nfs/dbraw/zinc/92/72/68/588927268.db2.gz FPLIDFARGXHTIQ-PSASIEDQSA-N 1 2 221.260 0.623 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cnn1 ZINC000857979423 588927342 /nfs/dbraw/zinc/92/73/42/588927342.db2.gz OQHMJIUUQQSRHE-JTQLQIEISA-N 1 2 243.270 0.856 20 0 BCADLO C/C=C\CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896018447 583763650 /nfs/dbraw/zinc/76/36/50/583763650.db2.gz NKAMRELLZNEQAQ-ARJAWSKDSA-N 1 2 208.265 0.795 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC(SC)C1)[C@@H](C)O ZINC000896041678 583767018 /nfs/dbraw/zinc/76/70/18/583767018.db2.gz OFURFVSXQRYPQJ-KHONBHQKSA-N 1 2 233.333 0.392 20 0 BCADLO COCCOCc1noc(C2([NH+](C)C)CC2)n1 ZINC000896127488 583773526 /nfs/dbraw/zinc/77/35/26/583773526.db2.gz XSKOYFLWOBNHEQ-UHFFFAOYSA-N 1 2 241.291 0.783 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982837 588928239 /nfs/dbraw/zinc/92/82/39/588928239.db2.gz MSCOFPDWCJNAEI-NXEZZACHSA-N 1 2 237.303 0.995 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cn[nH]c1 ZINC000857984645 588928379 /nfs/dbraw/zinc/92/83/79/588928379.db2.gz CVUSTAOOSINXAC-QMMMGPOBSA-N 1 2 217.232 0.481 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983981 588928395 /nfs/dbraw/zinc/92/83/95/588928395.db2.gz ADTSNPHRJDZMMA-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983715 588928486 /nfs/dbraw/zinc/92/84/86/588928486.db2.gz CLYBMQRSKOSCEK-SECBINFHSA-N 1 2 223.276 0.869 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984207 588928730 /nfs/dbraw/zinc/92/87/30/588928730.db2.gz HOZMYQUTJZTRKQ-WPRPVWTQSA-N 1 2 223.276 0.869 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985270 588928775 /nfs/dbraw/zinc/92/87/75/588928775.db2.gz OGNNIBGVCYZMMR-HTQZYQBOSA-N 1 2 209.249 0.479 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984577 588928790 /nfs/dbraw/zinc/92/87/90/588928790.db2.gz KEPQNDUMLUDPBF-DTWKUNHWSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccncn1 ZINC000857983279 588928817 /nfs/dbraw/zinc/92/88/17/588928817.db2.gz ZJOJUEAMQSTRKZ-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984579 588928891 /nfs/dbraw/zinc/92/88/91/588928891.db2.gz KEPQNDUMLUDPBF-IUCAKERBSA-N 1 2 223.276 0.869 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC2CSC2)c1 ZINC000896191792 583781619 /nfs/dbraw/zinc/78/16/19/583781619.db2.gz DFFJUMRKJOHKGQ-UHFFFAOYSA-N 1 2 240.332 0.582 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985733 588929220 /nfs/dbraw/zinc/92/92/20/588929220.db2.gz MGNVLPKCYMHFED-SNVBAGLBSA-N 1 2 235.287 0.871 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000335916765 583793941 /nfs/dbraw/zinc/79/39/41/583793941.db2.gz YUTNDIMCAOAKGE-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000335916765 583793942 /nfs/dbraw/zinc/79/39/42/583793942.db2.gz YUTNDIMCAOAKGE-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO CNc1cc(NCCO[C@H]2CCOC2)[nH+]cn1 ZINC000896473412 583803008 /nfs/dbraw/zinc/80/30/08/583803008.db2.gz LKECWDGOKJXNMC-VIFPVBQESA-N 1 2 238.291 0.736 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857937333 588924572 /nfs/dbraw/zinc/92/45/72/588924572.db2.gz ANGZGFDATVLSHT-GULOHRGCSA-N 1 2 249.314 0.907 20 0 BCADLO C[C@H](NC(=O)C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896581204 583814480 /nfs/dbraw/zinc/81/44/80/583814480.db2.gz QENCJBMPZWUPIW-GXSJLCMTSA-N 1 2 225.336 0.147 20 0 BCADLO C[C@H](NC(=O)C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896581204 583814481 /nfs/dbraw/zinc/81/44/81/583814481.db2.gz QENCJBMPZWUPIW-GXSJLCMTSA-N 1 2 225.336 0.147 20 0 BCADLO C[C@@H](NC(=O)C1CCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582655 583814571 /nfs/dbraw/zinc/81/45/71/583814571.db2.gz XJKJSRHPHCFTIF-PWSUYJOCSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)C1CCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582655 583814572 /nfs/dbraw/zinc/81/45/72/583814572.db2.gz XJKJSRHPHCFTIF-PWSUYJOCSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582466 583816418 /nfs/dbraw/zinc/81/64/18/583816418.db2.gz WYKMYBFBFBODJE-WISYIIOYSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896582466 583816421 /nfs/dbraw/zinc/81/64/21/583816421.db2.gz WYKMYBFBFBODJE-WISYIIOYSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000896638435 583819886 /nfs/dbraw/zinc/81/98/86/583819886.db2.gz BPBRIZXSCXNFHR-PSASIEDQSA-N 1 2 238.291 0.254 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000896638444 583820024 /nfs/dbraw/zinc/82/00/24/583820024.db2.gz BPBRIZXSCXNFHR-WPRPVWTQSA-N 1 2 238.291 0.254 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(C3CSC3)no2)C1 ZINC000896735371 583828752 /nfs/dbraw/zinc/82/87/52/583828752.db2.gz MSVNSWGJLXAWSW-QMMMGPOBSA-N 1 2 241.316 0.903 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(C3CSC3)no2)C1 ZINC000896735371 583828753 /nfs/dbraw/zinc/82/87/53/583828753.db2.gz MSVNSWGJLXAWSW-QMMMGPOBSA-N 1 2 241.316 0.903 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000896924443 583857795 /nfs/dbraw/zinc/85/77/95/583857795.db2.gz MOIKHACKRZRFRE-WDSKDSINSA-N 1 2 208.208 0.297 20 0 BCADLO Cn1nccc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000896853199 583839925 /nfs/dbraw/zinc/83/99/25/583839925.db2.gz KZULQHUJRUGYII-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO Cn1nccc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000896853199 583839926 /nfs/dbraw/zinc/83/99/26/583839926.db2.gz KZULQHUJRUGYII-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO Cc1[nH]c(CNC(=O)Cc2ccn(C)n2)[nH+]c1C ZINC000896907228 583851603 /nfs/dbraw/zinc/85/16/03/583851603.db2.gz JSYRHOVNGUCSHX-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cncn2C)[nH+]c1C ZINC000896911492 583853270 /nfs/dbraw/zinc/85/32/70/583853270.db2.gz VYMNCMWZQUSUDU-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)n(C)n1 ZINC000896922745 583857212 /nfs/dbraw/zinc/85/72/12/583857212.db2.gz COLAWCIACIIFPY-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000896925819 583858042 /nfs/dbraw/zinc/85/80/42/583858042.db2.gz ANTUDZMHZOEELX-SECBINFHSA-N 1 2 230.308 0.601 20 0 BCADLO CONC(=O)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000896925091 583858133 /nfs/dbraw/zinc/85/81/33/583858133.db2.gz UALBAPQMLGLFSH-IUCAKERBSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCCC12CCC2 ZINC000896924117 583858432 /nfs/dbraw/zinc/85/84/32/583858432.db2.gz KMJIZUWHTVVLKJ-SECBINFHSA-N 1 2 212.293 0.976 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000896927040 583858583 /nfs/dbraw/zinc/85/85/83/583858583.db2.gz OMXUPBUGPZNKCJ-LURJTMIESA-N 1 2 228.214 0.985 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000896926950 583858782 /nfs/dbraw/zinc/85/87/82/583858782.db2.gz MLLSRGIQEWHCKC-IUCAKERBSA-N 1 2 200.282 0.688 20 0 BCADLO CONC(=O)C[NH2+]CC1Cc2ccccc2C1 ZINC000896928305 583859321 /nfs/dbraw/zinc/85/93/21/583859321.db2.gz ZWOGDKRFEVUEQC-UHFFFAOYSA-N 1 2 234.299 0.669 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCCSC1 ZINC000896926599 583860007 /nfs/dbraw/zinc/86/00/07/583860007.db2.gz ZYZQTPJHVNBGKH-SSDOTTSWSA-N 1 2 204.295 0.149 20 0 BCADLO CONC(=O)C[NH2+]CC1(SC)CC1 ZINC000896926379 583860353 /nfs/dbraw/zinc/86/03/53/583860353.db2.gz JBXQMZUSQRMFPN-UHFFFAOYSA-N 1 2 204.295 0.149 20 0 BCADLO Cc1[nH]c(C(=O)N2CC[NH+](C)CC2)c(C)c1C=O ZINC000858089035 588931365 /nfs/dbraw/zinc/93/13/65/588931365.db2.gz CAEBMKVXUOTMFY-UHFFFAOYSA-N 1 2 249.314 0.832 20 0 BCADLO Cc1cc(N2CC(N3CCCC3=O)C2)nc[nH+]1 ZINC000897049937 583875369 /nfs/dbraw/zinc/87/53/69/583875369.db2.gz JUYFXWDUPJHFMG-UHFFFAOYSA-N 1 2 232.287 0.596 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)n(C)n1 ZINC000858319834 588943306 /nfs/dbraw/zinc/94/33/06/588943306.db2.gz RWEAAQDVZYQHEK-VIFPVBQESA-N 1 2 240.307 0.226 20 0 BCADLO CC(C)CONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858314578 588944592 /nfs/dbraw/zinc/94/45/92/588944592.db2.gz VPAZSPIKDJWYPB-JTQLQIEISA-N 1 2 245.323 0.204 20 0 BCADLO CC(C)CONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858314578 588944593 /nfs/dbraw/zinc/94/45/93/588944593.db2.gz VPAZSPIKDJWYPB-JTQLQIEISA-N 1 2 245.323 0.204 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cocn1 ZINC000858323211 588945730 /nfs/dbraw/zinc/94/57/30/588945730.db2.gz RPVOOJGCTDLYEX-SSDOTTSWSA-N 1 2 213.237 0.173 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]1CO ZINC000889152117 583969850 /nfs/dbraw/zinc/96/98/50/583969850.db2.gz MPTAXLQYJPFPPD-GXSJLCMTSA-N 1 2 235.287 0.039 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nn1cccn1 ZINC000862769052 583970280 /nfs/dbraw/zinc/97/02/80/583970280.db2.gz BGNJWOQWKWGHSU-QMMMGPOBSA-N 1 2 219.248 0.555 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nn1cccn1 ZINC000862769052 583970281 /nfs/dbraw/zinc/97/02/81/583970281.db2.gz BGNJWOQWKWGHSU-QMMMGPOBSA-N 1 2 219.248 0.555 20 0 BCADLO C[C@H](CC(=O)N1CC[C@@H]1CO)n1cc[nH+]c1 ZINC000889158280 583982697 /nfs/dbraw/zinc/98/26/97/583982697.db2.gz ZNPNCDQQDLVBKS-NXEZZACHSA-N 1 2 223.276 0.427 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(C2CC2)CC1 ZINC000889655511 583982712 /nfs/dbraw/zinc/98/27/12/583982712.db2.gz MTMQXJVYEZCGEB-GFCCVEGCSA-N 1 2 249.358 0.293 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729294544 583989377 /nfs/dbraw/zinc/98/93/77/583989377.db2.gz NIQVXPTYUNEVBT-SECBINFHSA-N 1 2 229.276 0.387 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729294544 583989379 /nfs/dbraw/zinc/98/93/79/583989379.db2.gz NIQVXPTYUNEVBT-SECBINFHSA-N 1 2 229.276 0.387 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729295042 583989554 /nfs/dbraw/zinc/98/95/54/583989554.db2.gz WHFRCBJRXYRLPP-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000729295042 583989555 /nfs/dbraw/zinc/98/95/55/583989555.db2.gz WHFRCBJRXYRLPP-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NCCCCO)c[nH+]1 ZINC000897592149 584023714 /nfs/dbraw/zinc/02/37/14/584023714.db2.gz TUEYNUVQCFVPDE-UHFFFAOYSA-N 1 2 239.319 0.815 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C ZINC000897676729 584035924 /nfs/dbraw/zinc/03/59/24/584035924.db2.gz WUZTYEZWHBGDRL-HQJQHLMTSA-N 1 2 209.293 0.839 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C ZINC000897676729 584035925 /nfs/dbraw/zinc/03/59/25/584035925.db2.gz WUZTYEZWHBGDRL-HQJQHLMTSA-N 1 2 209.293 0.839 20 0 BCADLO Cc1cn(C(C)(C)C(=O)O[C@H]2CNOC2)c[nH+]1 ZINC000897725100 584042684 /nfs/dbraw/zinc/04/26/84/584042684.db2.gz OCJXGGJWVXXWMK-VIFPVBQESA-N 1 2 239.275 0.373 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000897724222 584042771 /nfs/dbraw/zinc/04/27/71/584042771.db2.gz BKMKYMCGLKQIMN-DTWKUNHWSA-N 1 2 228.292 0.306 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000897724222 584042772 /nfs/dbraw/zinc/04/27/72/584042772.db2.gz BKMKYMCGLKQIMN-DTWKUNHWSA-N 1 2 228.292 0.306 20 0 BCADLO O=C1NCCC2(CN(Cc3c[nH+]c[nH]3)C2)O1 ZINC000897749636 584043532 /nfs/dbraw/zinc/04/35/32/584043532.db2.gz RZMWODRSUCHUKJ-UHFFFAOYSA-N 1 2 222.248 0.094 20 0 BCADLO O=C1NCCC2(CN(Cc3c[nH]c[nH+]3)C2)O1 ZINC000897749636 584043533 /nfs/dbraw/zinc/04/35/33/584043533.db2.gz RZMWODRSUCHUKJ-UHFFFAOYSA-N 1 2 222.248 0.094 20 0 BCADLO Cn1cc[nH+]c1CN1CC2(C1)CCNC(=O)O2 ZINC000897752618 584043940 /nfs/dbraw/zinc/04/39/40/584043940.db2.gz KOPSVRODXUBIKA-UHFFFAOYSA-N 1 2 236.275 0.104 20 0 BCADLO O=C1NCCC2(C[NH+](CC3=CCCOC3)C2)O1 ZINC000897752815 584043968 /nfs/dbraw/zinc/04/39/68/584043968.db2.gz USCVDCPMKHHONI-UHFFFAOYSA-N 1 2 238.287 0.517 20 0 BCADLO Cn1c[nH+]cc1CN1CC2(C1)CCNC(=O)O2 ZINC000897752731 584044093 /nfs/dbraw/zinc/04/40/93/584044093.db2.gz QMKXTCJSAGQNAH-UHFFFAOYSA-N 1 2 236.275 0.104 20 0 BCADLO Cc1cnn(C)c1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897783402 584047761 /nfs/dbraw/zinc/04/77/61/584047761.db2.gz AQRVFLDKPDCWTF-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO O=C1CCCN1C1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000897784882 584047944 /nfs/dbraw/zinc/04/79/44/584047944.db2.gz LVXPJULEVOMDDU-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO O=C1CCCN1C1CN(Cc2c[nH+]c[nH]2)C1 ZINC000897784286 584047974 /nfs/dbraw/zinc/04/79/74/584047974.db2.gz CGVFHSVVMCKOST-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CCCN1C1CN(Cc2c[nH]c[nH+]2)C1 ZINC000897784286 584047975 /nfs/dbraw/zinc/04/79/75/584047975.db2.gz CGVFHSVVMCKOST-UHFFFAOYSA-N 1 2 220.276 0.216 20 0 BCADLO Cn1cc(C[NH+]2CC(N3CCCC3=O)C2)cn1 ZINC000897789413 584048159 /nfs/dbraw/zinc/04/81/59/584048159.db2.gz HKTQFNWXAJDTDN-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO Cn1c[nH+]cc1CN1CC(N2CCCC2=O)C1 ZINC000897786260 584048356 /nfs/dbraw/zinc/04/83/56/584048356.db2.gz LPCZSTUMVVVRTJ-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000897795474 584049142 /nfs/dbraw/zinc/04/91/42/584049142.db2.gz GRYBHZOIZWQOIR-KCJUWKMLSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000897795474 584049145 /nfs/dbraw/zinc/04/91/45/584049145.db2.gz GRYBHZOIZWQOIR-KCJUWKMLSA-N 1 2 235.287 0.719 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000897838063 584053265 /nfs/dbraw/zinc/05/32/65/584053265.db2.gz QDDGCVGUVRDQBI-MRVPVSSYSA-N 1 2 237.307 0.626 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000897838063 584053267 /nfs/dbraw/zinc/05/32/67/584053267.db2.gz QDDGCVGUVRDQBI-MRVPVSSYSA-N 1 2 237.307 0.626 20 0 BCADLO Cc1nc(C[NH2+][C@@]2(C)CCNC2=O)cs1 ZINC000897874190 584056769 /nfs/dbraw/zinc/05/67/69/584056769.db2.gz UNMRACSSEMBAJP-JTQLQIEISA-N 1 2 225.317 0.820 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@H](C)CO1 ZINC000897891612 584057962 /nfs/dbraw/zinc/05/79/62/584057962.db2.gz YHSBOKCVHDMXGG-VHSXEESVSA-N 1 2 237.303 0.944 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898194485 584096116 /nfs/dbraw/zinc/09/61/16/584096116.db2.gz ZWDUVUBJOKUZOZ-ZJUUUORDSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898194485 584096118 /nfs/dbraw/zinc/09/61/18/584096118.db2.gz ZWDUVUBJOKUZOZ-ZJUUUORDSA-N 1 2 213.256 0.623 20 0 BCADLO C[C@@H](Nc1nccnc1F)[C@H]1C[N@H+](C)CCO1 ZINC000858453236 588956412 /nfs/dbraw/zinc/95/64/12/588956412.db2.gz QZRQXPYUECTAHC-RKDXNWHRSA-N 1 2 240.282 0.747 20 0 BCADLO C[C@@H](Nc1nccnc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000858453236 588956414 /nfs/dbraw/zinc/95/64/14/588956414.db2.gz QZRQXPYUECTAHC-RKDXNWHRSA-N 1 2 240.282 0.747 20 0 BCADLO C[C@@H](Nc1nccnc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000858453231 588956613 /nfs/dbraw/zinc/95/66/13/588956613.db2.gz QZRQXPYUECTAHC-BDAKNGLRSA-N 1 2 240.282 0.747 20 0 BCADLO C[C@@H](Nc1nccnc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000858453231 588956614 /nfs/dbraw/zinc/95/66/14/588956614.db2.gz QZRQXPYUECTAHC-BDAKNGLRSA-N 1 2 240.282 0.747 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000866109580 584115369 /nfs/dbraw/zinc/11/53/69/584115369.db2.gz IJVUCRXFPKRZOJ-WCBMZHEXSA-N 1 2 237.303 0.816 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898485104 584139497 /nfs/dbraw/zinc/13/94/97/584139497.db2.gz ZVKKGIGYNKMZIE-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898485104 584139498 /nfs/dbraw/zinc/13/94/98/584139498.db2.gz ZVKKGIGYNKMZIE-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cnc[nH]1 ZINC000898490901 584140016 /nfs/dbraw/zinc/14/00/16/584140016.db2.gz JUPXKMGRCOSSSG-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cnc[nH]1 ZINC000898490901 584140017 /nfs/dbraw/zinc/14/00/17/584140017.db2.gz JUPXKMGRCOSSSG-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898490554 584140084 /nfs/dbraw/zinc/14/00/84/584140084.db2.gz TVOBURLDSLLHSA-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490554 584140086 /nfs/dbraw/zinc/14/00/86/584140086.db2.gz TVOBURLDSLLHSA-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO CCC[C@@H](O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629451 584146878 /nfs/dbraw/zinc/14/68/78/584146878.db2.gz KZIJTCSJLFAMTI-SNVBAGLBSA-N 1 2 240.307 0.380 20 0 BCADLO CN(CC(F)F)C(=O)NCc1cn(C)c[nH+]1 ZINC000898629609 584146951 /nfs/dbraw/zinc/14/69/51/584146951.db2.gz PYVNUYXZBXBPFF-UHFFFAOYSA-N 1 2 232.234 0.827 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628674 584146998 /nfs/dbraw/zinc/14/69/98/584146998.db2.gz VKKIBANXMOBTKJ-IUCAKERBSA-N 1 2 240.307 0.379 20 0 BCADLO CC[C@@](C)(O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629462 584147177 /nfs/dbraw/zinc/14/71/77/584147177.db2.gz LJTFQARHAOGEJP-LLVKDONJSA-N 1 2 240.307 0.380 20 0 BCADLO C[C@H](CCO)N(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615401 584147333 /nfs/dbraw/zinc/14/73/33/584147333.db2.gz HANCYFSVAOSPBR-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@H](F)C2)c1 ZINC000898618894 584147574 /nfs/dbraw/zinc/14/75/74/584147574.db2.gz CUWGACZGVXONIM-QMMMGPOBSA-N 1 2 226.255 0.674 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC000898620105 584147670 /nfs/dbraw/zinc/14/76/70/584147670.db2.gz SHQOCIUBLHZNDC-NXEZZACHSA-N 1 2 238.291 0.133 20 0 BCADLO C[C@@H](CF)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898618874 584147904 /nfs/dbraw/zinc/14/79/04/584147904.db2.gz CNLVARRQCVJXBO-ZETCQYMHSA-N 1 2 214.244 0.577 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CC23CC3)c1 ZINC000898619894 584147910 /nfs/dbraw/zinc/14/79/10/584147910.db2.gz RFLITDOIBSEQHR-VIFPVBQESA-N 1 2 220.276 0.772 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000898744981 584156366 /nfs/dbraw/zinc/15/63/66/584156366.db2.gz KACOYVREENPXOX-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000898810800 584160286 /nfs/dbraw/zinc/16/02/86/584160286.db2.gz OGVOGBOPKJOPNJ-VIFPVBQESA-N 1 2 221.260 0.623 20 0 BCADLO CSCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884671 584164095 /nfs/dbraw/zinc/16/40/95/584164095.db2.gz RPYRYOCILRDFBX-MRVPVSSYSA-N 1 2 243.332 0.323 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1ccoc1 ZINC000898890288 584164582 /nfs/dbraw/zinc/16/45/82/584164582.db2.gz WVBVJFZERVARNX-SNVBAGLBSA-N 1 2 249.270 0.405 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC=CCC1 ZINC000898881341 584164642 /nfs/dbraw/zinc/16/46/42/584164642.db2.gz LBIJLUMICKWTAC-MNOVXSKESA-N 1 2 249.314 0.926 20 0 BCADLO C/C=C(/CC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898893399 584165025 /nfs/dbraw/zinc/16/50/25/584165025.db2.gz CEDLDNFUGVCLSS-ZUYFITGHSA-N 1 2 237.303 0.926 20 0 BCADLO Cn1nccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901852 584165045 /nfs/dbraw/zinc/16/50/45/584165045.db2.gz NQZSICPQDVXJAZ-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO CC(C)(CNC(=O)[C@@H]1CCCO1)n1cc[nH+]c1 ZINC000898893932 584165240 /nfs/dbraw/zinc/16/52/40/584165240.db2.gz QYPRCEPQWLFQBE-JTQLQIEISA-N 1 2 237.303 0.913 20 0 BCADLO Cn1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)cn1 ZINC000898898791 584165563 /nfs/dbraw/zinc/16/55/63/584165563.db2.gz DTUYYSBYYKDGMA-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO C[C@H](C(=O)N1CCC[C@H]1c1nnc[nH]1)[NH+](C)C ZINC000899107939 584175649 /nfs/dbraw/zinc/17/56/49/584175649.db2.gz ARKXRFBSNPZKSN-BDAKNGLRSA-N 1 2 237.307 0.418 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NC2COC2)c[nH+]1 ZINC000899169552 584178783 /nfs/dbraw/zinc/17/87/83/584178783.db2.gz WNEYJMRSDWLKNW-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000899245429 584186057 /nfs/dbraw/zinc/18/60/57/584186057.db2.gz BEZPAUWNJTZAAN-KWBADKCTSA-N 1 2 247.298 0.351 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000899245541 584187017 /nfs/dbraw/zinc/18/70/17/584187017.db2.gz CXUZGISSLWSMSK-NRUUGDAUSA-N 1 2 247.298 0.351 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000899246478 584187465 /nfs/dbraw/zinc/18/74/65/584187465.db2.gz RNGGSWUILQSNOY-KWBADKCTSA-N 1 2 247.298 0.351 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[C@H]1O ZINC000899339190 584197353 /nfs/dbraw/zinc/19/73/53/584197353.db2.gz NDUBEWGTSAJJEW-CNVPUSNMSA-N 1 2 249.314 0.885 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000899339190 584197354 /nfs/dbraw/zinc/19/73/54/584197354.db2.gz NDUBEWGTSAJJEW-CNVPUSNMSA-N 1 2 249.314 0.885 20 0 BCADLO CC1(C)OCc2[nH]n(C3CC[NH2+]CC3)c(=O)c21 ZINC000899364436 584205514 /nfs/dbraw/zinc/20/55/14/584205514.db2.gz VNJJTWFXOFGJNW-SNVBAGLBSA-N 1 2 237.303 0.362 20 0 BCADLO CN(CCCF)C(=O)Cc1c[nH+]cn1C ZINC000899811432 584238981 /nfs/dbraw/zinc/23/89/81/584238981.db2.gz LFLYIOGODQQLHE-UHFFFAOYSA-N 1 2 213.256 0.781 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000899921461 584256546 /nfs/dbraw/zinc/25/65/46/584256546.db2.gz XJTAOQFURSXKOZ-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000899921463 584256564 /nfs/dbraw/zinc/25/65/64/584256564.db2.gz XJTAOQFURSXKOZ-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NC1=[NH+]CCS1 ZINC000900005826 584264429 /nfs/dbraw/zinc/26/44/29/584264429.db2.gz KLICURAFLLLCNF-BQBZGAKWSA-N 1 2 216.306 0.612 20 0 BCADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(F)(F)F ZINC000900100905 584270863 /nfs/dbraw/zinc/27/08/63/584270863.db2.gz MPSAPRBCIYWMQL-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(F)(F)F ZINC000900100905 584270864 /nfs/dbraw/zinc/27/08/64/584270864.db2.gz MPSAPRBCIYWMQL-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO COC(=O)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900102111 584271581 /nfs/dbraw/zinc/27/15/81/584271581.db2.gz NGEOMIUDWFVCPS-UHFFFAOYSA-N 1 2 237.259 0.125 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N[C@H](C)CO ZINC000900151443 584277788 /nfs/dbraw/zinc/27/77/88/584277788.db2.gz SIKZESZDSIPJIR-MRVPVSSYSA-N 1 2 223.276 0.542 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)[C@H]3CCCCN3C2=O)c1 ZINC000900159047 584280645 /nfs/dbraw/zinc/28/06/45/584280645.db2.gz ZSWVVJGCBGWKET-SNVBAGLBSA-N 1 2 248.286 0.737 20 0 BCADLO C[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900161419 584281502 /nfs/dbraw/zinc/28/15/02/584281502.db2.gz WWMHHRWUISQYLK-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000900188373 584284284 /nfs/dbraw/zinc/28/42/84/584284284.db2.gz SRYCXNSRKWDTLI-WPRPVWTQSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000900188373 584284286 /nfs/dbraw/zinc/28/42/86/584284286.db2.gz SRYCXNSRKWDTLI-WPRPVWTQSA-N 1 2 223.276 0.636 20 0 BCADLO CCCCN(CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC000900195189 584284735 /nfs/dbraw/zinc/28/47/35/584284735.db2.gz PVLFRMBCJXXYTB-UHFFFAOYSA-N 1 2 238.291 0.066 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1n[nH]cc1F ZINC000900215278 584286645 /nfs/dbraw/zinc/28/66/45/584286645.db2.gz MEGJLHLMLYSMQX-SSDOTTSWSA-N 1 2 237.238 0.564 20 0 BCADLO COCCn1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900255125 584289362 /nfs/dbraw/zinc/28/93/62/584289362.db2.gz CWORLNVJQNGRSF-UHFFFAOYSA-N 1 2 249.274 0.434 20 0 BCADLO COCCn1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900255125 584289365 /nfs/dbraw/zinc/28/93/65/584289365.db2.gz CWORLNVJQNGRSF-UHFFFAOYSA-N 1 2 249.274 0.434 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900333618 584294136 /nfs/dbraw/zinc/29/41/36/584294136.db2.gz NFCXSFHYVQTKBJ-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900333618 584294137 /nfs/dbraw/zinc/29/41/37/584294137.db2.gz NFCXSFHYVQTKBJ-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1[nH]ncc1F ZINC000900372081 584298218 /nfs/dbraw/zinc/29/82/18/584298218.db2.gz OBCPYHHDYWSGBN-ZETCQYMHSA-N 1 2 238.266 0.515 20 0 BCADLO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1[nH]ncc1F ZINC000900372081 584298219 /nfs/dbraw/zinc/29/82/19/584298219.db2.gz OBCPYHHDYWSGBN-ZETCQYMHSA-N 1 2 238.266 0.515 20 0 BCADLO CCO[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900370940 584298371 /nfs/dbraw/zinc/29/83/71/584298371.db2.gz POLSXYROOAKKHD-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(C[C@@H]1CCOC1)C1CC1 ZINC000900373573 584299034 /nfs/dbraw/zinc/29/90/34/584299034.db2.gz VTBJMYTVIFMDIQ-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)O1 ZINC000900388103 584305903 /nfs/dbraw/zinc/30/59/03/584305903.db2.gz JYHSWDXQVMEKIO-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](O)C(C)(C)O ZINC000900455525 584313240 /nfs/dbraw/zinc/31/32/40/584313240.db2.gz VEBKZTGDGVOZPI-SECBINFHSA-N 1 2 240.259 0.161 20 0 BCADLO C/C=C\[C@H](O)C(=O)Nc1c[nH+]ccc1OC ZINC000900455935 584313851 /nfs/dbraw/zinc/31/38/51/584313851.db2.gz XCUHZDTVONZONL-TYRPZCRBSA-N 1 2 222.244 0.966 20 0 BCADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cnoc1 ZINC000900473473 584317227 /nfs/dbraw/zinc/31/72/27/584317227.db2.gz FGFWVMQCOUFJRK-SCZZXKLOSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cnoc1 ZINC000900473473 584317228 /nfs/dbraw/zinc/31/72/28/584317228.db2.gz FGFWVMQCOUFJRK-SCZZXKLOSA-N 1 2 225.248 0.068 20 0 BCADLO COCCN(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900496903 584317364 /nfs/dbraw/zinc/31/73/64/584317364.db2.gz MJAVJJXWQUIGCW-UHFFFAOYSA-N 1 2 247.245 0.692 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC000900528362 584322993 /nfs/dbraw/zinc/32/29/93/584322993.db2.gz QXFVGMXYKGTIKY-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900563070 584325132 /nfs/dbraw/zinc/32/51/32/584325132.db2.gz ONYQCHHWYVZBMN-OMMCCPJFSA-N 1 2 237.303 0.754 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646442 584335496 /nfs/dbraw/zinc/33/54/96/584335496.db2.gz DEESFVRBSHYAOU-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO CC1CC(Cn2cc([C@@H]3COCC[NH2+]3)nn2)C1 ZINC000900654061 584336352 /nfs/dbraw/zinc/33/63/52/584336352.db2.gz WSTMGVZYPCLSQY-CBINBANVSA-N 1 2 236.319 0.985 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000900664184 584337635 /nfs/dbraw/zinc/33/76/35/584337635.db2.gz BHHKPONZVMSIGX-XRVBUDJMSA-N 1 2 223.276 0.743 20 0 BCADLO CCc1nnc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000900664747 584337973 /nfs/dbraw/zinc/33/79/73/584337973.db2.gz FFCHERSASSBOBA-UHFFFAOYSA-N 1 2 237.288 0.754 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOc1cccnc1 ZINC000900719836 584344614 /nfs/dbraw/zinc/34/46/14/584344614.db2.gz SIMKPLSPNBQBRK-UHFFFAOYSA-N 1 2 246.270 0.542 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCOc1cccnc1 ZINC000900719836 584344615 /nfs/dbraw/zinc/34/46/15/584344615.db2.gz SIMKPLSPNBQBRK-UHFFFAOYSA-N 1 2 246.270 0.542 20 0 BCADLO C[C@H](O)CCNC(=O)CNc1cccc[nH+]1 ZINC000900753833 584345493 /nfs/dbraw/zinc/34/54/93/584345493.db2.gz FGYZURCPDKOJIM-VIFPVBQESA-N 1 2 223.276 0.381 20 0 BCADLO CSC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900762895 584347418 /nfs/dbraw/zinc/34/74/18/584347418.db2.gz GLSCPFQHKIDTBN-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO CSC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900762895 584347421 /nfs/dbraw/zinc/34/74/21/584347421.db2.gz GLSCPFQHKIDTBN-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO C/C=C\[C@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900786777 584351440 /nfs/dbraw/zinc/35/14/40/584351440.db2.gz MZEGUNZRUIBAFZ-WZQADMAKSA-N 1 2 237.303 0.572 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900898249 584362688 /nfs/dbraw/zinc/36/26/88/584362688.db2.gz HFMQBUHJGUUSSA-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900898249 584362690 /nfs/dbraw/zinc/36/26/90/584362690.db2.gz HFMQBUHJGUUSSA-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900952883 584366334 /nfs/dbraw/zinc/36/63/34/584366334.db2.gz UPFLQZJBJATXAI-LBPRGKRZSA-N 1 2 235.287 0.477 20 0 BCADLO CON(C)C(=O)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000858841987 588978028 /nfs/dbraw/zinc/97/80/28/588978028.db2.gz HJCPAAKUSGNBMM-SSDOTTSWSA-N 1 2 224.264 0.605 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900954597 584370723 /nfs/dbraw/zinc/37/07/23/584370723.db2.gz MJGATYNEVRNCDD-SECBINFHSA-N 1 2 209.249 0.200 20 0 BCADLO O=C1OC[C@@H]2CN(c3cccc[nH+]3)C[C@H]12 ZINC000858847533 588978329 /nfs/dbraw/zinc/97/83/29/588978329.db2.gz CKYKMJQKCDKKTC-IUCAKERBSA-N 1 2 204.229 0.691 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2COCC[C@H]21 ZINC000901016369 584374586 /nfs/dbraw/zinc/37/45/86/584374586.db2.gz CHFULICQRQHMQT-ZYHUDNBSSA-N 1 2 249.314 0.980 20 0 BCADLO CCC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901072781 584381309 /nfs/dbraw/zinc/38/13/09/584381309.db2.gz VQBIBIITBYZJTF-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO CCC[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901072781 584381311 /nfs/dbraw/zinc/38/13/11/584381311.db2.gz VQBIBIITBYZJTF-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO C[C@@H](CCO)CNC(=O)CNc1cccc[nH+]1 ZINC000901082910 584382417 /nfs/dbraw/zinc/38/24/17/584382417.db2.gz NAWCPTUAUYBTTM-JTQLQIEISA-N 1 2 237.303 0.628 20 0 BCADLO CCC[C@@H](CCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901081979 584382470 /nfs/dbraw/zinc/38/24/70/584382470.db2.gz ODOOSMGLGIMKFU-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CCC[C@@H](CCO)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901081979 584382472 /nfs/dbraw/zinc/38/24/72/584382472.db2.gz ODOOSMGLGIMKFU-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)(O)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901159367 584389503 /nfs/dbraw/zinc/38/95/03/584389503.db2.gz VAEDBQFGNOKZDV-SNVBAGLBSA-N 1 2 237.303 0.714 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901201854 584399046 /nfs/dbraw/zinc/39/90/46/584399046.db2.gz WGMQEVXCKREVEJ-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901201854 584399047 /nfs/dbraw/zinc/39/90/47/584399047.db2.gz WGMQEVXCKREVEJ-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC2(CCC2)C1 ZINC000901269726 584419122 /nfs/dbraw/zinc/41/91/22/584419122.db2.gz LVOYUZABQNCIJQ-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cn1ccc(CNC(=O)CNc2cccc[nH+]2)n1 ZINC000901270145 584419132 /nfs/dbraw/zinc/41/91/32/584419132.db2.gz XDZHUIRLHBXQSL-UHFFFAOYSA-N 1 2 245.286 0.543 20 0 BCADLO C[C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000901306629 584420534 /nfs/dbraw/zinc/42/05/34/584420534.db2.gz SPKCVCLBWUJENK-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]1C[C@H](CNC(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901306629 584420537 /nfs/dbraw/zinc/42/05/37/584420537.db2.gz SPKCVCLBWUJENK-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO COc1n[nH]c(NC(=O)C[N@H+](C)C2CCC2)n1 ZINC000901286868 584422074 /nfs/dbraw/zinc/42/20/74/584422074.db2.gz LAMKCBLYMKEWCD-UHFFFAOYSA-N 1 2 239.279 0.236 20 0 BCADLO CCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901312999 584428327 /nfs/dbraw/zinc/42/83/27/584428327.db2.gz AHVOVTJUUGHPEH-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901356226 584432106 /nfs/dbraw/zinc/43/21/06/584432106.db2.gz DXSZXCDUJDNTGN-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901356226 584432108 /nfs/dbraw/zinc/43/21/08/584432108.db2.gz DXSZXCDUJDNTGN-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CN(Cc1ncon1)C(=O)CNc1cccc[nH+]1 ZINC000901343675 584433982 /nfs/dbraw/zinc/43/39/82/584433982.db2.gz LJLPXVFXVJVADN-UHFFFAOYSA-N 1 2 247.258 0.535 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)OCCF ZINC000858902554 588983832 /nfs/dbraw/zinc/98/38/32/588983832.db2.gz NYMLDOHUZZUPMU-VIFPVBQESA-N 1 2 234.271 0.403 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC000901597263 584467779 /nfs/dbraw/zinc/46/77/79/584467779.db2.gz VEQDZRQITDDYJY-GZMMTYOYSA-N 1 2 240.303 0.054 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)CN1CCOC1=O ZINC000902065853 584522186 /nfs/dbraw/zinc/52/21/86/584522186.db2.gz MKFCBROUUQIRIX-SNVBAGLBSA-N 1 2 228.292 0.897 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)CN1CCOC1=O ZINC000902065853 584522188 /nfs/dbraw/zinc/52/21/88/584522188.db2.gz MKFCBROUUQIRIX-SNVBAGLBSA-N 1 2 228.292 0.897 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CN1CCOC1=O ZINC000902151926 584531318 /nfs/dbraw/zinc/53/13/18/584531318.db2.gz XNQXCSVFOQWXEK-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO C[C@H]1CSCC[N@H+]1CN1CCOC1=O ZINC000902151926 584531320 /nfs/dbraw/zinc/53/13/20/584531320.db2.gz XNQXCSVFOQWXEK-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO CC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H](C)O1 ZINC000902126626 584529380 /nfs/dbraw/zinc/52/93/80/584529380.db2.gz IKOURAWSPIQLJI-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H](C)O1 ZINC000902126626 584529381 /nfs/dbraw/zinc/52/93/81/584529381.db2.gz IKOURAWSPIQLJI-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO COc1cn(C[NH+]2CC(OC)C2)c(C)cc1=O ZINC000902147974 584530672 /nfs/dbraw/zinc/53/06/72/584530672.db2.gz WBFJSVPEBFUCQP-UHFFFAOYSA-N 1 2 238.287 0.453 20 0 BCADLO CC(C)[C@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902180350 584533001 /nfs/dbraw/zinc/53/30/01/584533001.db2.gz QOSYQJLCZHZBLH-SNVBAGLBSA-N 1 2 248.286 0.740 20 0 BCADLO Nc1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)c[nH+]1 ZINC000902182825 584533230 /nfs/dbraw/zinc/53/32/30/584533230.db2.gz QUVSSEBAXJPGKY-VIFPVBQESA-N 1 2 246.270 0.590 20 0 BCADLO C[C@H]1[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCOC1(C)C ZINC000902186734 584534005 /nfs/dbraw/zinc/53/40/05/584534005.db2.gz XABTZSLVINQRKL-VWYCJHECSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCOC1(C)C ZINC000902186734 584534007 /nfs/dbraw/zinc/53/40/07/584534007.db2.gz XABTZSLVINQRKL-VWYCJHECSA-N 1 2 238.331 0.922 20 0 BCADLO CCn1c[nH+]c(CNc2cnn(CCO)c2)c1 ZINC000902169742 584534253 /nfs/dbraw/zinc/53/42/53/584534253.db2.gz PVPXAGJIRDVKNG-UHFFFAOYSA-N 1 2 235.291 0.704 20 0 BCADLO CN(CCCc1c[nH+]cn1C)S(C)(=O)=O ZINC000902240640 584539017 /nfs/dbraw/zinc/53/90/17/584539017.db2.gz GNJBQMSUHOLPFQ-UHFFFAOYSA-N 1 2 231.321 0.244 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)[C@H](C)[C@H](C)O1 ZINC000902236492 584542962 /nfs/dbraw/zinc/54/29/62/584542962.db2.gz ZBJYFZGEXXJKRO-BBBLOLIVSA-N 1 2 228.292 0.894 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)[C@H](C)[C@H](C)O1 ZINC000902236492 584542963 /nfs/dbraw/zinc/54/29/63/584542963.db2.gz ZBJYFZGEXXJKRO-BBBLOLIVSA-N 1 2 228.292 0.894 20 0 BCADLO CCn1c[nH+]c(CNc2ccn(CCO)n2)c1 ZINC000902317962 584550897 /nfs/dbraw/zinc/55/08/97/584550897.db2.gz MAXOVAKGWGOUOZ-UHFFFAOYSA-N 1 2 235.291 0.704 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)CN1CCOC1=O ZINC000902315130 584555433 /nfs/dbraw/zinc/55/54/33/584555433.db2.gz KJICFTGRWJGKHN-UHFFFAOYSA-N 1 2 245.279 0.026 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)CN1CCOC1=O ZINC000902315130 584555434 /nfs/dbraw/zinc/55/54/34/584555434.db2.gz KJICFTGRWJGKHN-UHFFFAOYSA-N 1 2 245.279 0.026 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@H]1C[N@H+](C)CCO1 ZINC000859072329 588997083 /nfs/dbraw/zinc/99/70/83/588997083.db2.gz IWRIDFLYHAYVSC-RKDXNWHRSA-N 1 2 234.271 0.401 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@H]1C[N@@H+](C)CCO1 ZINC000859072329 588997084 /nfs/dbraw/zinc/99/70/84/588997084.db2.gz IWRIDFLYHAYVSC-RKDXNWHRSA-N 1 2 234.271 0.401 20 0 BCADLO NC(=[NH+]OCC[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000902381765 584576648 /nfs/dbraw/zinc/57/66/48/584576648.db2.gz OJYYFRMVRZIJHA-DTWKUNHWSA-N 1 2 241.291 0.190 20 0 BCADLO NC(=[NH+]OCC[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000902381767 584576784 /nfs/dbraw/zinc/57/67/84/584576784.db2.gz OJYYFRMVRZIJHA-RKDXNWHRSA-N 1 2 241.291 0.190 20 0 BCADLO CN(C)c1ccc(Cn2ccncc2=O)c[nH+]1 ZINC000902397916 584586235 /nfs/dbraw/zinc/58/62/35/584586235.db2.gz QFEMXGHRGTXHLZ-UHFFFAOYSA-N 1 2 230.271 0.753 20 0 BCADLO Cc1c(N)ncn(CCCc2c[nH+]cn2C)c1=O ZINC000902416494 584590710 /nfs/dbraw/zinc/59/07/10/584590710.db2.gz JHBJIAIAFSEYAL-UHFFFAOYSA-N 1 2 247.302 0.500 20 0 BCADLO CCn1cnc(C[NH2+]CC(=O)NCC2CC2)c1 ZINC000902469600 584615372 /nfs/dbraw/zinc/61/53/72/584615372.db2.gz YKFLWUAWBMUYHM-UHFFFAOYSA-N 1 2 236.319 0.519 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)NCC(C)(C)C1=O ZINC000902516943 584630174 /nfs/dbraw/zinc/63/01/74/584630174.db2.gz ORHIENVJDBWGIR-UHFFFAOYSA-N 1 2 236.275 0.498 20 0 BCADLO CCO[C@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000902528938 584633030 /nfs/dbraw/zinc/63/30/30/584633030.db2.gz TWUCRJINXYTRAS-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000902528938 584633031 /nfs/dbraw/zinc/63/30/31/584633031.db2.gz TWUCRJINXYTRAS-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CCn1c[nH+]c(CNc2nc(N(C)C)n[nH]2)c1 ZINC000902560281 584634630 /nfs/dbraw/zinc/63/46/30/584634630.db2.gz UHOLXUXHGMGNPA-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO CCn1c[nH+]c(CNc2n[nH]c(N(C)C)n2)c1 ZINC000902560281 584634632 /nfs/dbraw/zinc/63/46/32/584634632.db2.gz UHOLXUXHGMGNPA-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO NC(Cc1ccccc1F)=[NH+]OCCO ZINC000902623423 584640212 /nfs/dbraw/zinc/64/02/12/584640212.db2.gz QQAOPAFQNXFMLM-UHFFFAOYSA-N 1 2 212.224 0.859 20 0 BCADLO O=c1oc2ccccc2n1C[N@H+]1CC[C@H]1CO ZINC000902630305 584646461 /nfs/dbraw/zinc/64/64/61/584646461.db2.gz OMEIUUFMDHIKMD-VIFPVBQESA-N 1 2 234.255 0.619 20 0 BCADLO O=c1oc2ccccc2n1C[N@@H+]1CC[C@H]1CO ZINC000902630305 584646462 /nfs/dbraw/zinc/64/64/62/584646462.db2.gz OMEIUUFMDHIKMD-VIFPVBQESA-N 1 2 234.255 0.619 20 0 BCADLO O=C1CC2(CCCC2)N1C[N@H+]1CC[C@H]1CO ZINC000902630423 584646889 /nfs/dbraw/zinc/64/68/89/584646889.db2.gz AZEYJMYLDMAZJN-JTQLQIEISA-N 1 2 224.304 0.556 20 0 BCADLO O=C1CC2(CCCC2)N1C[N@@H+]1CC[C@H]1CO ZINC000902630423 584646890 /nfs/dbraw/zinc/64/68/90/584646890.db2.gz AZEYJMYLDMAZJN-JTQLQIEISA-N 1 2 224.304 0.556 20 0 BCADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631684 584647051 /nfs/dbraw/zinc/64/70/51/584647051.db2.gz IJGOELRISDOQAU-GHMZBOCLSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631684 584647053 /nfs/dbraw/zinc/64/70/53/584647053.db2.gz IJGOELRISDOQAU-GHMZBOCLSA-N 1 2 226.320 0.515 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1[nH]cc(C)[nH+]1 ZINC000902664422 584653390 /nfs/dbraw/zinc/65/33/90/584653390.db2.gz UGHASNPSZUVEBS-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO CCc1ncc(CO[NH+]=C(N)CCO)o1 ZINC000902729074 584662077 /nfs/dbraw/zinc/66/20/77/584662077.db2.gz JTWWUPDXOGMETP-UHFFFAOYSA-N 1 2 213.237 0.618 20 0 BCADLO Cc1cn(C)nc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000902738424 584662767 /nfs/dbraw/zinc/66/27/67/584662767.db2.gz GAJFRZIBXVPIOF-JTQLQIEISA-N 1 2 238.291 0.906 20 0 BCADLO Cc1cn(C)nc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000902738426 584662777 /nfs/dbraw/zinc/66/27/77/584662777.db2.gz GAJFRZIBXVPIOF-SNVBAGLBSA-N 1 2 238.291 0.906 20 0 BCADLO O=C(CCO)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000902844525 584680869 /nfs/dbraw/zinc/68/08/69/584680869.db2.gz IRFSZZXVSQHURD-JTQLQIEISA-N 1 2 223.276 0.429 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)OC1COC1 ZINC000902845266 584680986 /nfs/dbraw/zinc/68/09/86/584680986.db2.gz QSKPOWIHFRDKAI-UHFFFAOYSA-N 1 2 211.221 0.045 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)OC2COC2)c1 ZINC000902945524 584696289 /nfs/dbraw/zinc/69/62/89/584696289.db2.gz HLWLPNWITZQGQJ-UHFFFAOYSA-N 1 2 225.248 0.088 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)OC1COC1 ZINC000902936521 584700543 /nfs/dbraw/zinc/70/05/43/584700543.db2.gz YCGKZIBWPVVBBA-UHFFFAOYSA-N 1 2 211.221 0.045 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)CCO ZINC000902939656 584701469 /nfs/dbraw/zinc/70/14/69/584701469.db2.gz RQNIYBSXURZCQB-UHFFFAOYSA-N 1 2 210.233 0.089 20 0 BCADLO O=S1(=O)CCC[C@@H]1C[N@H+]1CCC[C@@H](F)C1 ZINC000902992389 584710604 /nfs/dbraw/zinc/71/06/04/584710604.db2.gz KSZJSRIAOVFNFQ-NXEZZACHSA-N 1 2 235.324 0.998 20 0 BCADLO O=S1(=O)CCC[C@@H]1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902992389 584710605 /nfs/dbraw/zinc/71/06/05/584710605.db2.gz KSZJSRIAOVFNFQ-NXEZZACHSA-N 1 2 235.324 0.998 20 0 BCADLO c1nonc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903024599 584721474 /nfs/dbraw/zinc/72/14/74/584721474.db2.gz VJZVLKLHDRQVEY-VIFPVBQESA-N 1 2 246.274 0.546 20 0 BCADLO c1nonc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903024599 584721475 /nfs/dbraw/zinc/72/14/75/584721475.db2.gz VJZVLKLHDRQVEY-VIFPVBQESA-N 1 2 246.274 0.546 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@@H]2OC)n1 ZINC000903198995 584734925 /nfs/dbraw/zinc/73/49/25/584734925.db2.gz IMOYUIRUUMGPAW-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CCC[C@@H]2OC)[nH]1 ZINC000903198995 584734926 /nfs/dbraw/zinc/73/49/26/584734926.db2.gz IMOYUIRUUMGPAW-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1ccco1 ZINC000746492780 584742799 /nfs/dbraw/zinc/74/27/99/584742799.db2.gz AMBXMJRMKTYVIP-UHFFFAOYSA-N 1 2 212.249 0.731 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000746492780 584742800 /nfs/dbraw/zinc/74/28/00/584742800.db2.gz AMBXMJRMKTYVIP-UHFFFAOYSA-N 1 2 212.249 0.731 20 0 BCADLO Cc1[nH+]cc(C[NH2+]C2(C(=O)[O-])CCC2)n1C ZINC000904009770 584837601 /nfs/dbraw/zinc/83/76/01/584837601.db2.gz JDDAIBOGGMLHTB-UHFFFAOYSA-N 1 2 223.276 0.825 20 0 BCADLO c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CNOC1 ZINC000904424730 584881058 /nfs/dbraw/zinc/88/10/58/584881058.db2.gz LZSFEMFRVYFVFJ-GFCCVEGCSA-N 1 2 244.298 0.865 20 0 BCADLO COC(=O)c1ccc(C[NH2+][C@H]2CNOC2)o1 ZINC000904425807 584881784 /nfs/dbraw/zinc/88/17/84/584881784.db2.gz YYBMMLDHJFAFAK-ZETCQYMHSA-N 1 2 226.232 0.059 20 0 BCADLO CC(C)(C(=O)NC1=NCCS1)c1c[nH]c[nH+]1 ZINC000788274576 584884604 /nfs/dbraw/zinc/88/46/04/584884604.db2.gz NYUWMLCNFBIARZ-UHFFFAOYSA-N 1 2 238.316 0.906 20 0 BCADLO NC(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000731028454 584920928 /nfs/dbraw/zinc/92/09/28/584920928.db2.gz FJZRGKMEJYSIFE-UHFFFAOYSA-N 1 2 213.262 0.274 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCc1ccno1 ZINC000732194633 584934793 /nfs/dbraw/zinc/93/47/93/584934793.db2.gz ZWEFSSPTCBBUNN-UHFFFAOYSA-N 1 2 240.263 0.005 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H](O)c1cccnc1 ZINC000732271518 584935212 /nfs/dbraw/zinc/93/52/12/584935212.db2.gz ZYFQFQPCNSDPDM-NSHDSACASA-N 1 2 246.270 0.128 20 0 BCADLO CC1=C(C(=O)NCc2[nH]cc[nH+]2)C(=O)OC1(C)C ZINC000733955586 584955429 /nfs/dbraw/zinc/95/54/29/584955429.db2.gz KAHXIXPKNSKDBO-UHFFFAOYSA-N 1 2 249.270 0.678 20 0 BCADLO Cc1nonc1C[N@H+](C)CCn1cccn1 ZINC000734150000 584957638 /nfs/dbraw/zinc/95/76/38/584957638.db2.gz WMFOZUBWMZHVGM-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO Cc1nonc1C[N@@H+](C)CCn1cccn1 ZINC000734150000 584957639 /nfs/dbraw/zinc/95/76/39/584957639.db2.gz WMFOZUBWMZHVGM-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO Cc1nonc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000734148920 584957680 /nfs/dbraw/zinc/95/76/80/584957680.db2.gz QGDVPPBBMZDSJO-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000734148920 584957681 /nfs/dbraw/zinc/95/76/81/584957681.db2.gz QGDVPPBBMZDSJO-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)C1CC1 ZINC000734148420 584957846 /nfs/dbraw/zinc/95/78/46/584957846.db2.gz YLOXTGWKOQLMOG-VIFPVBQESA-N 1 2 233.275 0.546 20 0 BCADLO OCC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000735351067 584975592 /nfs/dbraw/zinc/97/55/92/584975592.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000735351067 584975593 /nfs/dbraw/zinc/97/55/93/584975593.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000735351067 584975594 /nfs/dbraw/zinc/97/55/94/584975594.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000735351067 584975595 /nfs/dbraw/zinc/97/55/95/584975595.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000735351067 584975596 /nfs/dbraw/zinc/97/55/96/584975596.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000735351067 584975597 /nfs/dbraw/zinc/97/55/97/584975597.db2.gz ALAKACMQAZWWAJ-SECBINFHSA-N 1 2 210.281 0.399 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCS(=O)(=O)CC ZINC000735671197 584980579 /nfs/dbraw/zinc/98/05/79/584980579.db2.gz BFPAQOGKCBTTGM-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCS(=O)(=O)CC ZINC000735671197 584980580 /nfs/dbraw/zinc/98/05/80/584980580.db2.gz BFPAQOGKCBTTGM-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCC(CC)[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816923465 584981923 /nfs/dbraw/zinc/98/19/23/584981923.db2.gz IXXACCNEYOWFGZ-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)[O-] ZINC000736662890 585008620 /nfs/dbraw/zinc/00/86/20/585008620.db2.gz UOMKHMDAFLGVJQ-BDAKNGLRSA-N 1 2 223.276 0.823 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)[O-] ZINC000736662892 585008674 /nfs/dbraw/zinc/00/86/74/585008674.db2.gz UOMKHMDAFLGVJQ-IUCAKERBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1nc(NC(=O)/C=C/c2cn(C)c[nH+]2)nn1C ZINC000820302620 585011993 /nfs/dbraw/zinc/01/19/93/585011993.db2.gz ANTOCIFFRAUDKO-SNAWJCMRSA-N 1 2 246.274 0.509 20 0 BCADLO CCO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788079976 585022316 /nfs/dbraw/zinc/02/23/16/585022316.db2.gz ICEYJVPFFLMDDV-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO CCO[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788079976 585022317 /nfs/dbraw/zinc/02/23/17/585022317.db2.gz ICEYJVPFFLMDDV-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]23CCC[C@H]2OCC3)c1 ZINC000890099810 585022868 /nfs/dbraw/zinc/02/28/68/585022868.db2.gz KOFAHYPARLRPTM-YPMHNXCESA-N 1 2 249.314 0.996 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356208446 585023319 /nfs/dbraw/zinc/02/33/19/585023319.db2.gz CNMOTOXLQXYQFI-OTDNITJGSA-N 1 2 237.303 0.786 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356208446 585023320 /nfs/dbraw/zinc/02/33/20/585023320.db2.gz CNMOTOXLQXYQFI-OTDNITJGSA-N 1 2 237.303 0.786 20 0 BCADLO Cc1oc(C(=O)NCc2cn(C)c[nH+]2)cc1CO ZINC000890103988 585023424 /nfs/dbraw/zinc/02/34/24/585023424.db2.gz SLFBAEGRSYKODI-UHFFFAOYSA-N 1 2 249.270 0.744 20 0 BCADLO Cn1ncnc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774181175 585027447 /nfs/dbraw/zinc/02/74/47/585027447.db2.gz NVKOWTIEIIZREU-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO Cn1ncnc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000774181175 585027448 /nfs/dbraw/zinc/02/74/48/585027448.db2.gz NVKOWTIEIIZREU-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@H](C)CC1=O ZINC000738082487 585040963 /nfs/dbraw/zinc/04/09/63/585040963.db2.gz ALKZHQSDFOMDRB-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CN1C[C@H](C)CC1=O ZINC000738082487 585040964 /nfs/dbraw/zinc/04/09/64/585040964.db2.gz ALKZHQSDFOMDRB-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCF)CCO1 ZINC000838114752 585046348 /nfs/dbraw/zinc/04/63/48/585046348.db2.gz XAMHXCHWWBWCMH-SNVBAGLBSA-N 1 2 247.314 0.318 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCF)CCO1 ZINC000838114752 585046349 /nfs/dbraw/zinc/04/63/49/585046349.db2.gz XAMHXCHWWBWCMH-SNVBAGLBSA-N 1 2 247.314 0.318 20 0 BCADLO CCONC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838556533 585060412 /nfs/dbraw/zinc/06/04/12/585060412.db2.gz OGDCJZFKDIHKNO-AOOOYVTPSA-N 1 2 243.307 0.100 20 0 BCADLO CCONC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838556533 585060413 /nfs/dbraw/zinc/06/04/13/585060413.db2.gz OGDCJZFKDIHKNO-AOOOYVTPSA-N 1 2 243.307 0.100 20 0 BCADLO CCn1ncc(C[N@H+](CC)CCC(=O)OC)n1 ZINC000838804157 585069440 /nfs/dbraw/zinc/06/94/40/585069440.db2.gz VJRJDNYCANISRK-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCn1ncc(C[N@@H+](CC)CCC(=O)OC)n1 ZINC000838804157 585069441 /nfs/dbraw/zinc/06/94/41/585069441.db2.gz VJRJDNYCANISRK-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000838782887 585069610 /nfs/dbraw/zinc/06/96/10/585069610.db2.gz OESXCZDPBIQOLB-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000838782887 585069611 /nfs/dbraw/zinc/06/96/11/585069611.db2.gz OESXCZDPBIQOLB-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@H+](C)CCCOC)n1 ZINC000838806865 585069765 /nfs/dbraw/zinc/06/97/65/585069765.db2.gz LOEBPFZFIPFWJV-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1ncc(C[N@@H+](C)CCCOC)n1 ZINC000838806865 585069766 /nfs/dbraw/zinc/06/97/66/585069766.db2.gz LOEBPFZFIPFWJV-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000838817858 585071706 /nfs/dbraw/zinc/07/17/06/585071706.db2.gz RPXZXENBOBKILH-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000838817858 585071707 /nfs/dbraw/zinc/07/17/07/585071707.db2.gz RPXZXENBOBKILH-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C ZINC000838902783 585077205 /nfs/dbraw/zinc/07/72/05/585077205.db2.gz YZGPGGRUNPVIGN-ZJUUUORDSA-N 1 2 229.320 0.935 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838908488 585077432 /nfs/dbraw/zinc/07/74/32/585077432.db2.gz FGLHRCJTMBGKMP-KOLCDFICSA-N 1 2 215.293 0.689 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838908490 585077534 /nfs/dbraw/zinc/07/75/34/585077534.db2.gz FGLHRCJTMBGKMP-ONGXEEELSA-N 1 2 215.293 0.689 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838908489 585077666 /nfs/dbraw/zinc/07/76/66/585077666.db2.gz FGLHRCJTMBGKMP-MWLCHTKSSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C ZINC000838898335 585079745 /nfs/dbraw/zinc/07/97/45/585079745.db2.gz YZGPGGRUNPVIGN-VHSXEESVSA-N 1 2 229.320 0.935 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000838981405 585084103 /nfs/dbraw/zinc/08/41/03/585084103.db2.gz PWNCEHSKPWWIGB-MFKMUULPSA-N 1 2 249.362 0.870 20 0 BCADLO FC(F)[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000838982198 585084266 /nfs/dbraw/zinc/08/42/66/585084266.db2.gz MIBCDOJSISDSED-VIFPVBQESA-N 1 2 231.246 0.918 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000838982198 585084267 /nfs/dbraw/zinc/08/42/67/585084267.db2.gz MIBCDOJSISDSED-VIFPVBQESA-N 1 2 231.246 0.918 20 0 BCADLO C[N@H+](CCN1CCOC1=O)Cc1ccon1 ZINC000739931142 585086877 /nfs/dbraw/zinc/08/68/77/585086877.db2.gz QTFDIDSCHBVMKT-UHFFFAOYSA-N 1 2 225.248 0.559 20 0 BCADLO C[N@@H+](CCN1CCOC1=O)Cc1ccon1 ZINC000739931142 585086878 /nfs/dbraw/zinc/08/68/78/585086878.db2.gz QTFDIDSCHBVMKT-UHFFFAOYSA-N 1 2 225.248 0.559 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000839090203 585090450 /nfs/dbraw/zinc/09/04/50/585090450.db2.gz OSEDDNXXSQOBBQ-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000839090203 585090451 /nfs/dbraw/zinc/09/04/51/585090451.db2.gz OSEDDNXXSQOBBQ-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H]2COC)n1 ZINC000839113664 585091956 /nfs/dbraw/zinc/09/19/56/585091956.db2.gz AEMLOMWBRSTRLA-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H]2COC)n1 ZINC000839113664 585091957 /nfs/dbraw/zinc/09/19/57/585091957.db2.gz AEMLOMWBRSTRLA-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO Cn1ncc(C[NH+]2CC(C)(CO)C2)c1Cl ZINC000839145783 585092260 /nfs/dbraw/zinc/09/22/60/585092260.db2.gz UQCYZZMAOUFUQP-UHFFFAOYSA-N 1 2 229.711 0.888 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839148677 585092276 /nfs/dbraw/zinc/09/22/76/585092276.db2.gz LSDWRDXJCPBQPM-CMPLNLGQSA-N 1 2 245.319 0.147 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000839148677 585092277 /nfs/dbraw/zinc/09/22/77/585092277.db2.gz LSDWRDXJCPBQPM-CMPLNLGQSA-N 1 2 245.319 0.147 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000839169333 585095899 /nfs/dbraw/zinc/09/58/99/585095899.db2.gz HLEDVFFFYFBCLX-DCAQKATOSA-N 1 2 245.319 0.003 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000839169333 585095900 /nfs/dbraw/zinc/09/59/00/585095900.db2.gz HLEDVFFFYFBCLX-DCAQKATOSA-N 1 2 245.319 0.003 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839200989 585099284 /nfs/dbraw/zinc/09/92/84/585099284.db2.gz AVPHPEFDSLDMMX-IUCAKERBSA-N 1 2 235.374 0.611 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839200989 585099285 /nfs/dbraw/zinc/09/92/85/585099285.db2.gz AVPHPEFDSLDMMX-IUCAKERBSA-N 1 2 235.374 0.611 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201661 585099494 /nfs/dbraw/zinc/09/94/94/585099494.db2.gz OCXVWISZJNLKDG-UWVGGRQHSA-N 1 2 249.401 0.999 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201661 585099495 /nfs/dbraw/zinc/09/94/95/585099495.db2.gz OCXVWISZJNLKDG-UWVGGRQHSA-N 1 2 249.401 0.999 20 0 BCADLO CCc1nnc(C[NH2+]Cc2[nH]nc(C)c2C)[nH]1 ZINC000886127985 585106899 /nfs/dbraw/zinc/10/68/99/585106899.db2.gz YYCQHGXSZUOQFO-UHFFFAOYSA-N 1 2 234.307 0.997 20 0 BCADLO CC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147603 585110594 /nfs/dbraw/zinc/11/05/94/585110594.db2.gz VYJNXEWTPVFOAB-VHSXEESVSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147603 585110595 /nfs/dbraw/zinc/11/05/95/585110595.db2.gz VYJNXEWTPVFOAB-VHSXEESVSA-N 1 2 213.277 0.991 20 0 BCADLO CCOCC[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000741245030 585111831 /nfs/dbraw/zinc/11/18/31/585111831.db2.gz CZRBEKXRIUPJQU-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000741245030 585111832 /nfs/dbraw/zinc/11/18/32/585111832.db2.gz CZRBEKXRIUPJQU-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO Cn1ccnc1C(=O)NCCn1cc[nH+]c1 ZINC000741259141 585112021 /nfs/dbraw/zinc/11/20/21/585112021.db2.gz BNMUOLPADRRWFN-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000742195510 585123202 /nfs/dbraw/zinc/12/32/02/585123202.db2.gz FJICDZLMKLXTER-VIFPVBQESA-N 1 2 222.292 0.494 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000742195510 585123203 /nfs/dbraw/zinc/12/32/03/585123203.db2.gz FJICDZLMKLXTER-VIFPVBQESA-N 1 2 222.292 0.494 20 0 BCADLO CNC(=S)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788333638 585134276 /nfs/dbraw/zinc/13/42/76/585134276.db2.gz OTIVORWJCKHIEM-SECBINFHSA-N 1 2 231.365 0.143 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000743273970 585134413 /nfs/dbraw/zinc/13/44/13/585134413.db2.gz ZOBIMYWVFTUVGQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000743273970 585134414 /nfs/dbraw/zinc/13/44/14/585134414.db2.gz ZOBIMYWVFTUVGQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000743273970 585134415 /nfs/dbraw/zinc/13/44/15/585134415.db2.gz ZOBIMYWVFTUVGQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000743273970 585134416 /nfs/dbraw/zinc/13/44/16/585134416.db2.gz ZOBIMYWVFTUVGQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)COC)CCO1 ZINC000743850285 585140675 /nfs/dbraw/zinc/14/06/75/585140675.db2.gz IPULEPDSAQXIHD-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)COC)CCO1 ZINC000743850285 585140676 /nfs/dbraw/zinc/14/06/76/585140676.db2.gz IPULEPDSAQXIHD-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)COC)CCO1 ZINC000743850284 585140838 /nfs/dbraw/zinc/14/08/38/585140838.db2.gz IPULEPDSAQXIHD-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)COC)CCO1 ZINC000743850284 585140839 /nfs/dbraw/zinc/14/08/39/585140839.db2.gz IPULEPDSAQXIHD-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000744436005 585150201 /nfs/dbraw/zinc/15/02/01/585150201.db2.gz HWKKOHZUGYTLAW-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000744436005 585150202 /nfs/dbraw/zinc/15/02/02/585150202.db2.gz HWKKOHZUGYTLAW-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO Cn1cnn(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=S ZINC000744436742 585150377 /nfs/dbraw/zinc/15/03/77/585150377.db2.gz SMBYJPGRLYQKND-DTORHVGOSA-N 1 2 240.332 0.772 20 0 BCADLO Cn1cnn(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=S ZINC000744436742 585150378 /nfs/dbraw/zinc/15/03/78/585150378.db2.gz SMBYJPGRLYQKND-DTORHVGOSA-N 1 2 240.332 0.772 20 0 BCADLO CN1CC[C@@H](OC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC000745082903 585156279 /nfs/dbraw/zinc/15/62/79/585156279.db2.gz RTZMPSASZWDYNR-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[C@@H](OC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC000745082903 585156280 /nfs/dbraw/zinc/15/62/80/585156280.db2.gz RTZMPSASZWDYNR-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CC(C)[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745078412 585156383 /nfs/dbraw/zinc/15/63/83/585156383.db2.gz DPSDZLZTGRWEMO-UWVGGRQHSA-N 1 2 242.319 0.524 20 0 BCADLO CC(C)[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC000745078412 585156384 /nfs/dbraw/zinc/15/63/84/585156384.db2.gz DPSDZLZTGRWEMO-UWVGGRQHSA-N 1 2 242.319 0.524 20 0 BCADLO Cn1cc(COC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000745080560 585156399 /nfs/dbraw/zinc/15/63/99/585156399.db2.gz TYWNAMQBKSTVKP-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1cc(COC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000745080560 585156400 /nfs/dbraw/zinc/15/64/00/585156400.db2.gz TYWNAMQBKSTVKP-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745084345 585156605 /nfs/dbraw/zinc/15/66/05/585156605.db2.gz SQSRBKOMORKWLA-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745084345 585156606 /nfs/dbraw/zinc/15/66/06/585156606.db2.gz SQSRBKOMORKWLA-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO CCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745083577 585156675 /nfs/dbraw/zinc/15/66/75/585156675.db2.gz XTYSLWQOFGRYKI-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO CCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745083577 585156676 /nfs/dbraw/zinc/15/66/76/585156676.db2.gz XTYSLWQOFGRYKI-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1=COCC1 ZINC000746242136 585166312 /nfs/dbraw/zinc/16/63/12/585166312.db2.gz DPXAGSGOKDCJNK-UHFFFAOYSA-N 1 2 207.233 0.373 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCOC1CCC1 ZINC000746324289 585167388 /nfs/dbraw/zinc/16/73/88/585167388.db2.gz RKIDFZWCQBKJTJ-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCCNC(=O)C1 ZINC000746487646 585168595 /nfs/dbraw/zinc/16/85/95/585168595.db2.gz OESMUHISFDHVHB-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1ccncc1C[N@H+]1CCCNC(=O)C1 ZINC000746487646 585168596 /nfs/dbraw/zinc/16/85/96/585168596.db2.gz OESMUHISFDHVHB-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000746496030 585168985 /nfs/dbraw/zinc/16/89/85/585168985.db2.gz SPNBKVDFKKQCHF-DTORHVGOSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000746496030 585168986 /nfs/dbraw/zinc/16/89/86/585168986.db2.gz SPNBKVDFKKQCHF-DTORHVGOSA-N 1 2 216.281 0.115 20 0 BCADLO CCC[N@H+](CCF)[C@H]1CCS(=O)(=O)C1 ZINC000746503133 585169487 /nfs/dbraw/zinc/16/94/87/585169487.db2.gz OTWJVQKHHYYHMZ-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CCC[N@@H+](CCF)[C@H]1CCS(=O)(=O)C1 ZINC000746503133 585169488 /nfs/dbraw/zinc/16/94/88/585169488.db2.gz OTWJVQKHHYYHMZ-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO O=c1sccn1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000746613909 585170760 /nfs/dbraw/zinc/17/07/60/585170760.db2.gz IKISGKLFLRMFGX-DTORHVGOSA-N 1 2 226.301 0.731 20 0 BCADLO O=c1sccn1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000746613909 585170761 /nfs/dbraw/zinc/17/07/61/585170761.db2.gz IKISGKLFLRMFGX-DTORHVGOSA-N 1 2 226.301 0.731 20 0 BCADLO CO[C@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000746621509 585171110 /nfs/dbraw/zinc/17/11/10/585171110.db2.gz SZNPKOSLCJWPJI-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000746621509 585171111 /nfs/dbraw/zinc/17/11/11/585171111.db2.gz SZNPKOSLCJWPJI-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO C[N@H+](C[C@@H]1CCCO1)Cn1ccsc1=O ZINC000746619434 585171292 /nfs/dbraw/zinc/17/12/92/585171292.db2.gz KJVNGFMQXKMZKY-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO C[N@@H+](C[C@@H]1CCCO1)Cn1ccsc1=O ZINC000746619434 585171293 /nfs/dbraw/zinc/17/12/93/585171293.db2.gz KJVNGFMQXKMZKY-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC(C)=O ZINC000747660697 585181899 /nfs/dbraw/zinc/18/18/99/585181899.db2.gz RHNPAKODOQOVTL-NSHDSACASA-N 1 2 245.319 0.864 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC(C)=O ZINC000747660697 585181900 /nfs/dbraw/zinc/18/19/00/585181900.db2.gz RHNPAKODOQOVTL-NSHDSACASA-N 1 2 245.319 0.864 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCC(C)=O ZINC000747660696 585181907 /nfs/dbraw/zinc/18/19/07/585181907.db2.gz RHNPAKODOQOVTL-LLVKDONJSA-N 1 2 245.319 0.864 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCC(C)=O ZINC000747660696 585181908 /nfs/dbraw/zinc/18/19/08/585181908.db2.gz RHNPAKODOQOVTL-LLVKDONJSA-N 1 2 245.319 0.864 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1CC=CC1 ZINC000747704738 585182440 /nfs/dbraw/zinc/18/24/40/585182440.db2.gz RRTPSRKCNDODLT-UHFFFAOYSA-N 1 2 225.288 0.828 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1=COCC1 ZINC000747699928 585182581 /nfs/dbraw/zinc/18/25/81/585182581.db2.gz HPSHZGQFFRSONP-UHFFFAOYSA-N 1 2 227.260 0.166 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCC[C@@H]1O ZINC000747710104 585182674 /nfs/dbraw/zinc/18/26/74/585182674.db2.gz LBUYHUFLTMBZPC-QWRGUYRKSA-N 1 2 243.303 0.023 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N(CCO)C1CC1 ZINC000747957526 585186269 /nfs/dbraw/zinc/18/62/69/585186269.db2.gz MAEDQBXBRBUEAG-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000747988456 585186286 /nfs/dbraw/zinc/18/62/86/585186286.db2.gz XELLAXMJRHXDLT-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000747988456 585186287 /nfs/dbraw/zinc/18/62/87/585186287.db2.gz XELLAXMJRHXDLT-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)C1=COCCO1 ZINC000748312944 585190569 /nfs/dbraw/zinc/19/05/69/585190569.db2.gz SUSQYKSIVDRCEV-UHFFFAOYSA-N 1 2 222.200 0.036 20 0 BCADLO CCc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000748349030 585190902 /nfs/dbraw/zinc/19/09/02/585190902.db2.gz ABLSBYTUXFMHQE-SECBINFHSA-N 1 2 236.319 0.748 20 0 BCADLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000748349030 585190903 /nfs/dbraw/zinc/19/09/03/585190903.db2.gz ABLSBYTUXFMHQE-SECBINFHSA-N 1 2 236.319 0.748 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncs2)CC[N@@H+]1C ZINC000748356909 585191532 /nfs/dbraw/zinc/19/15/32/585191532.db2.gz YUGLPLBADBOKQP-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncs2)CC[N@H+]1C ZINC000748356909 585191533 /nfs/dbraw/zinc/19/15/33/585191533.db2.gz YUGLPLBADBOKQP-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO COC(=O)C[N@H+](C/C=C(\C)C(=O)OC)C(C)C ZINC000748814319 585196460 /nfs/dbraw/zinc/19/64/60/585196460.db2.gz ZIJDWXSIVJPAIT-UXBLZVDNSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)C[N@@H+](C/C=C(\C)C(=O)OC)C(C)C ZINC000748814319 585196461 /nfs/dbraw/zinc/19/64/61/585196461.db2.gz ZIJDWXSIVJPAIT-UXBLZVDNSA-N 1 2 243.303 0.989 20 0 BCADLO CONC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000749166041 585200320 /nfs/dbraw/zinc/20/03/20/585200320.db2.gz SBHUJLXQJGBBOM-LBPRGKRZSA-N 1 2 249.314 0.971 20 0 BCADLO CONC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000749166041 585200321 /nfs/dbraw/zinc/20/03/21/585200321.db2.gz SBHUJLXQJGBBOM-LBPRGKRZSA-N 1 2 249.314 0.971 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CCS(=O)(=O)CC ZINC000839530794 585205157 /nfs/dbraw/zinc/20/51/57/585205157.db2.gz ADNKZYRFYBZJQF-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CCS(=O)(=O)CC ZINC000839530794 585205158 /nfs/dbraw/zinc/20/51/58/585205158.db2.gz ADNKZYRFYBZJQF-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(n2cccn2)CC1 ZINC000750044050 585209732 /nfs/dbraw/zinc/20/97/32/585209732.db2.gz ATKCTPZDQZZVKM-UHFFFAOYSA-N 1 2 246.318 0.849 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)c1cc[nH]c1 ZINC000750496271 585216061 /nfs/dbraw/zinc/21/60/61/585216061.db2.gz NVCSBNMUVLTOMR-UHFFFAOYSA-N 1 2 224.260 0.504 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)[C@@H]1CCCOC1 ZINC000750796376 585219934 /nfs/dbraw/zinc/21/99/34/585219934.db2.gz PGEKZXHLWYNXKR-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)[C@@H]1CCCOC1 ZINC000750796376 585219935 /nfs/dbraw/zinc/21/99/35/585219935.db2.gz PGEKZXHLWYNXKR-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=S)NC2CC2)CCO1 ZINC000751013828 585223427 /nfs/dbraw/zinc/22/34/27/585223427.db2.gz GLAPMKXWGNJESU-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=S)NC2CC2)CCO1 ZINC000751013828 585223428 /nfs/dbraw/zinc/22/34/28/585223428.db2.gz GLAPMKXWGNJESU-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO CS/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000751460820 585230353 /nfs/dbraw/zinc/23/03/53/585230353.db2.gz BPKAOJPIDOKAKR-ANRVEHPFSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000751559657 585232407 /nfs/dbraw/zinc/23/24/07/585232407.db2.gz CXRVBTCXVUSSBY-FARCUNLSSA-N 1 2 211.290 0.876 20 0 BCADLO CS/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751572727 585233111 /nfs/dbraw/zinc/23/31/11/585233111.db2.gz UCIMSOOXXUDFBG-SIUBYYJGSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751572727 585233112 /nfs/dbraw/zinc/23/31/12/585233112.db2.gz UCIMSOOXXUDFBG-SIUBYYJGSA-N 1 2 244.360 0.700 20 0 BCADLO COc1ncc(C[N@H+](C)CC(N)=O)cc1Cl ZINC000751959249 585239863 /nfs/dbraw/zinc/23/98/63/585239863.db2.gz UJVAMXOGAIBBJM-UHFFFAOYSA-N 1 2 243.694 0.661 20 0 BCADLO COc1ncc(C[N@@H+](C)CC(N)=O)cc1Cl ZINC000751959249 585239864 /nfs/dbraw/zinc/23/98/64/585239864.db2.gz UJVAMXOGAIBBJM-UHFFFAOYSA-N 1 2 243.694 0.661 20 0 BCADLO CC(C)c1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000752092177 585242500 /nfs/dbraw/zinc/24/25/00/585242500.db2.gz LTBQUEIOEDBSMP-AOOOYVTPSA-N 1 2 240.303 0.726 20 0 BCADLO CC(C)c1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000752092177 585242501 /nfs/dbraw/zinc/24/25/01/585242501.db2.gz LTBQUEIOEDBSMP-AOOOYVTPSA-N 1 2 240.303 0.726 20 0 BCADLO COc1cccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000752274087 585244460 /nfs/dbraw/zinc/24/44/60/585244460.db2.gz LXAAWLZVNHXFAO-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000752737798 585249409 /nfs/dbraw/zinc/24/94/09/585249409.db2.gz YMLYIBFAKYPBAY-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC(=O)NCC1CC1 ZINC000752772577 585250023 /nfs/dbraw/zinc/25/00/23/585250023.db2.gz CLGIBOPKFHMWTB-UHFFFAOYSA-N 1 2 243.307 0.436 20 0 BCADLO C[NH+]1CCN(C(=O)C(F)(F)C2(O)CCC2)CC1 ZINC000752910523 585251089 /nfs/dbraw/zinc/25/10/89/585251089.db2.gz QEPXWJFNRDIBRR-UHFFFAOYSA-N 1 2 248.273 0.311 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2ncnn2C)CC1 ZINC000753189262 585254962 /nfs/dbraw/zinc/25/49/62/585254962.db2.gz CJBKHYAZCBRUBK-UHFFFAOYSA-N 1 2 238.291 0.343 20 0 BCADLO CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753678444 585266015 /nfs/dbraw/zinc/26/60/15/585266015.db2.gz XSTBMLYDRYDMSW-VIFPVBQESA-N 1 2 236.344 0.754 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)(C)C ZINC000753704593 585266487 /nfs/dbraw/zinc/26/64/87/585266487.db2.gz LZEBAJIKASUMKT-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753704593 585266488 /nfs/dbraw/zinc/26/64/88/585266488.db2.gz LZEBAJIKASUMKT-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859218133 589020529 /nfs/dbraw/zinc/02/05/29/589020529.db2.gz IMICGRJBIDESNT-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859218133 589020531 /nfs/dbraw/zinc/02/05/31/589020531.db2.gz IMICGRJBIDESNT-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO CO[C@@H]1C[N@H+](CC(=O)OCC(C)C)C[C@@H]1OC ZINC000753805909 585269991 /nfs/dbraw/zinc/26/99/91/585269991.db2.gz GZXOUNCGMQAPMC-PHIMTYICSA-N 1 2 245.319 0.531 20 0 BCADLO CO[C@@H]1C[N@@H+](CC(=O)OCC(C)C)C[C@@H]1OC ZINC000753805909 585269992 /nfs/dbraw/zinc/26/99/92/585269992.db2.gz GZXOUNCGMQAPMC-PHIMTYICSA-N 1 2 245.319 0.531 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CCS(C)(=O)=O ZINC000753833983 585270697 /nfs/dbraw/zinc/27/06/97/585270697.db2.gz MPASPUJYLOHMEK-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CCS(C)(=O)=O ZINC000753833983 585270698 /nfs/dbraw/zinc/27/06/98/585270698.db2.gz MPASPUJYLOHMEK-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)N(C)OC)c1ccco1 ZINC000754339570 585282773 /nfs/dbraw/zinc/28/27/73/585282773.db2.gz LHMLGWHTESXUFN-SECBINFHSA-N 1 2 242.275 0.577 20 0 BCADLO CN(CCN1CCOC1=O)Cc1[nH]cc[nH+]1 ZINC000139570867 585284735 /nfs/dbraw/zinc/28/47/35/585284735.db2.gz HWJQRURRLCEBDH-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO COC(=O)C[N@H+](CCC1OCCCO1)C1CC1 ZINC000754665377 585288751 /nfs/dbraw/zinc/28/87/51/585288751.db2.gz BBECRYIQYRAZRO-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO COC(=O)C[N@@H+](CCC1OCCCO1)C1CC1 ZINC000754665377 585288752 /nfs/dbraw/zinc/28/87/52/585288752.db2.gz BBECRYIQYRAZRO-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO C[C@@]1(C(=O)OCC[NH+]2CCOCC2)CCOC1 ZINC000755115743 585294777 /nfs/dbraw/zinc/29/47/77/585294777.db2.gz LMZOMXPGPZOJBW-GFCCVEGCSA-N 1 2 243.303 0.288 20 0 BCADLO CCC1(C(=O)NCCn2cc[nH+]c2)COC1 ZINC000755127208 585295254 /nfs/dbraw/zinc/29/52/54/585295254.db2.gz NXTYHFYXGPSGLD-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000755229315 585296448 /nfs/dbraw/zinc/29/64/48/585296448.db2.gz NRSUTQQGFRDOTD-MRVPVSSYSA-N 1 2 219.244 0.445 20 0 BCADLO CCN1CC[N@H+](CCC(=O)C2CC2)CC1=O ZINC000755293000 585297456 /nfs/dbraw/zinc/29/74/56/585297456.db2.gz GOLJQIXGRDIKNG-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)C2CC2)CC1=O ZINC000755293000 585297457 /nfs/dbraw/zinc/29/74/57/585297457.db2.gz GOLJQIXGRDIKNG-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CCO)C2CC2)c[nH+]1 ZINC000757090335 585328150 /nfs/dbraw/zinc/32/81/50/585328150.db2.gz PAXLPTOYOLFHFG-SECBINFHSA-N 1 2 223.276 0.609 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626265 585332737 /nfs/dbraw/zinc/33/27/37/585332737.db2.gz QPOQNKQJBDVDES-NSHDSACASA-N 1 2 227.304 0.860 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626265 585332738 /nfs/dbraw/zinc/33/27/38/585332738.db2.gz QPOQNKQJBDVDES-NSHDSACASA-N 1 2 227.304 0.860 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626171 585332760 /nfs/dbraw/zinc/33/27/60/585332760.db2.gz PIKORKHGHPLELI-IAQYHMDHSA-N 1 2 231.361 0.866 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626171 585332761 /nfs/dbraw/zinc/33/27/61/585332761.db2.gz PIKORKHGHPLELI-IAQYHMDHSA-N 1 2 231.361 0.866 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671268 585336198 /nfs/dbraw/zinc/33/61/98/585336198.db2.gz KWVCSFCKGLRXFI-BMMYIHMSSA-N 1 2 243.303 0.187 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671268 585336199 /nfs/dbraw/zinc/33/61/99/585336199.db2.gz KWVCSFCKGLRXFI-BMMYIHMSSA-N 1 2 243.303 0.187 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671562 585336225 /nfs/dbraw/zinc/33/62/25/585336225.db2.gz MIDWCDGJEHVJJM-PWSUYJOCSA-N 1 2 229.320 0.683 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671562 585336226 /nfs/dbraw/zinc/33/62/26/585336226.db2.gz MIDWCDGJEHVJJM-PWSUYJOCSA-N 1 2 229.320 0.683 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@@H]([C@H](C)O)C1)OCC ZINC000839670490 585336276 /nfs/dbraw/zinc/33/62/76/585336276.db2.gz GNRKENIMCPTMCV-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1CCO[C@@H]([C@H](C)O)C1)OCC ZINC000839670490 585336277 /nfs/dbraw/zinc/33/62/77/585336277.db2.gz GNRKENIMCPTMCV-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO CC(C)n1ncc(C(=O)NCc2[nH]cc[nH+]2)c1N ZINC000758146041 585350893 /nfs/dbraw/zinc/35/08/93/585350893.db2.gz GZCKGFIZZPFVJT-UHFFFAOYSA-N 1 2 248.290 0.699 20 0 BCADLO CC(C)n1ncc(C(=O)NCc2c[nH+]c[nH]2)c1N ZINC000758222833 585352190 /nfs/dbraw/zinc/35/21/90/585352190.db2.gz LVHSVLWBEHVEAZ-UHFFFAOYSA-N 1 2 248.290 0.699 20 0 BCADLO CC(C)n1ncc(C(=O)NCc2c[nH]c[nH+]2)c1N ZINC000758222833 585352191 /nfs/dbraw/zinc/35/21/91/585352191.db2.gz LVHSVLWBEHVEAZ-UHFFFAOYSA-N 1 2 248.290 0.699 20 0 BCADLO CCCC[N@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758297814 585353298 /nfs/dbraw/zinc/35/32/98/585353298.db2.gz BVOAAMAEMFUWHB-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO CCCC[N@@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758297814 585353299 /nfs/dbraw/zinc/35/32/99/585353299.db2.gz BVOAAMAEMFUWHB-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc3n(c2=O)CCCC3)C1 ZINC000758317014 585353801 /nfs/dbraw/zinc/35/38/01/585353801.db2.gz JYYBFBMNAQYGOC-SNVBAGLBSA-N 1 2 236.319 0.680 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc3n(c2=O)CCCC3)C1 ZINC000758317014 585353802 /nfs/dbraw/zinc/35/38/02/585353802.db2.gz JYYBFBMNAQYGOC-SNVBAGLBSA-N 1 2 236.319 0.680 20 0 BCADLO CC[C@@]1(C)CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758350170 585354313 /nfs/dbraw/zinc/35/43/13/585354313.db2.gz AZSPNNHVNRMNDI-NSHDSACASA-N 1 2 224.308 0.661 20 0 BCADLO CC[C@@]1(C)CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758350170 585354314 /nfs/dbraw/zinc/35/43/14/585354314.db2.gz AZSPNNHVNRMNDI-NSHDSACASA-N 1 2 224.308 0.661 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NOCC(F)F ZINC000758838996 585360657 /nfs/dbraw/zinc/36/06/57/585360657.db2.gz RVIDDXWSGUDLFX-SSDOTTSWSA-N 1 2 248.233 0.768 20 0 BCADLO CS(=O)(=O)CC[NH+]1CC(CC(F)(F)F)C1 ZINC000759074213 585363834 /nfs/dbraw/zinc/36/38/34/585363834.db2.gz ZRGZKAICKSJZLB-UHFFFAOYSA-N 1 2 245.266 0.915 20 0 BCADLO O=C([C@@H]1CCCC[N@H+]1CCF)N1CCOCC1 ZINC000759340539 585368818 /nfs/dbraw/zinc/36/88/18/585368818.db2.gz VHPATFALWASCSC-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO O=C([C@@H]1CCCC[N@@H+]1CCF)N1CCOCC1 ZINC000759340539 585368819 /nfs/dbraw/zinc/36/88/19/585368819.db2.gz VHPATFALWASCSC-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO CCOC(=O)C1(O)CC[NH+](CCF)CC1 ZINC000759346099 585370250 /nfs/dbraw/zinc/37/02/50/585370250.db2.gz WLGMUUHQWTYGIX-UHFFFAOYSA-N 1 2 219.256 0.346 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000759445089 585373105 /nfs/dbraw/zinc/37/31/05/585373105.db2.gz BTGQZMOOWKDDNC-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000759445089 585373106 /nfs/dbraw/zinc/37/31/06/585373106.db2.gz BTGQZMOOWKDDNC-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000759445102 585373160 /nfs/dbraw/zinc/37/31/60/585373160.db2.gz BTGQZMOOWKDDNC-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000759445102 585373161 /nfs/dbraw/zinc/37/31/61/585373161.db2.gz BTGQZMOOWKDDNC-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)NOC ZINC000759612057 585377120 /nfs/dbraw/zinc/37/71/20/585377120.db2.gz CQJOSXPBVOZCTC-VHSXEESVSA-N 1 2 244.335 0.847 20 0 BCADLO CCC1(CC)[C@H]([NH2+]CC(=O)NOC)C[C@H]1OC ZINC000759612053 585377165 /nfs/dbraw/zinc/37/71/65/585377165.db2.gz CQJOSXPBVOZCTC-NXEZZACHSA-N 1 2 244.335 0.847 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759871459 585381764 /nfs/dbraw/zinc/38/17/64/585381764.db2.gz VFCMGIHGQOKHEM-YGRLFVJLSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759871459 585381763 /nfs/dbraw/zinc/38/17/63/585381763.db2.gz VFCMGIHGQOKHEM-YGRLFVJLSA-N 1 2 217.334 0.808 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnco2)CC[N@@H+]1C ZINC000760174172 585386292 /nfs/dbraw/zinc/38/62/92/585386292.db2.gz YGCVNBPTXURMAK-MRVPVSSYSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnco2)CC[N@H+]1C ZINC000760174172 585386293 /nfs/dbraw/zinc/38/62/93/585386293.db2.gz YGCVNBPTXURMAK-MRVPVSSYSA-N 1 2 209.249 0.451 20 0 BCADLO CC[NH+]1CCN(C(=O)C2SCCS2)CC1 ZINC000760209937 585386604 /nfs/dbraw/zinc/38/66/04/585386604.db2.gz HVTFOUSAFXHFHS-UHFFFAOYSA-N 1 2 246.401 0.957 20 0 BCADLO COC(=O)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898895 585401383 /nfs/dbraw/zinc/40/13/83/585401383.db2.gz MSYYCQQDWIOOKD-UHFFFAOYSA-N 1 2 243.303 0.634 20 0 BCADLO C[C@H](C[N@@H+]1CCN(C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077108 585403934 /nfs/dbraw/zinc/40/39/34/585403934.db2.gz KMQRGKGVWNMKRB-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](C[N@H+]1CCN(C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077108 585403935 /nfs/dbraw/zinc/40/39/35/585403935.db2.gz KMQRGKGVWNMKRB-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@H+](C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077108 585403936 /nfs/dbraw/zinc/40/39/36/585403936.db2.gz KMQRGKGVWNMKRB-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@@H+](C)[C@@H](C)C1)CS(C)(=O)=O ZINC000761077108 585403937 /nfs/dbraw/zinc/40/39/37/585403937.db2.gz KMQRGKGVWNMKRB-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761076253 585406193 /nfs/dbraw/zinc/40/61/93/585406193.db2.gz MEXLNIHIGBOWKQ-ZJUUUORDSA-N 1 2 225.336 0.289 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761076253 585406194 /nfs/dbraw/zinc/40/61/94/585406194.db2.gz MEXLNIHIGBOWKQ-ZJUUUORDSA-N 1 2 225.336 0.289 20 0 BCADLO O=c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)nc2cc[nH]n21 ZINC000761086271 585407340 /nfs/dbraw/zinc/40/73/40/585407340.db2.gz NMRAPFRLAAPTQX-SCZZXKLOSA-N 1 2 230.271 0.617 20 0 BCADLO O=c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)nc2cc[nH]n21 ZINC000761086271 585407341 /nfs/dbraw/zinc/40/73/41/585407341.db2.gz NMRAPFRLAAPTQX-SCZZXKLOSA-N 1 2 230.271 0.617 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C1(COC)CC1 ZINC000761102894 585409339 /nfs/dbraw/zinc/40/93/39/585409339.db2.gz SHXYTFPHGUXKIG-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C1(COC)CC1 ZINC000761102894 585409340 /nfs/dbraw/zinc/40/93/40/585409340.db2.gz SHXYTFPHGUXKIG-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761108253 585409739 /nfs/dbraw/zinc/40/97/39/585409739.db2.gz JPLSUKCPLAELMO-BQBZGAKWSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](C(F)F)C1 ZINC000761108253 585409740 /nfs/dbraw/zinc/40/97/40/585409740.db2.gz JPLSUKCPLAELMO-BQBZGAKWSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000761215618 585412611 /nfs/dbraw/zinc/41/26/11/585412611.db2.gz HAVUPJZDMLDJFI-VIFPVBQESA-N 1 2 235.243 0.016 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000761215618 585412612 /nfs/dbraw/zinc/41/26/12/585412612.db2.gz HAVUPJZDMLDJFI-VIFPVBQESA-N 1 2 235.243 0.016 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000761704466 585418142 /nfs/dbraw/zinc/41/81/42/585418142.db2.gz LWENJQRFOLADHB-UHFFFAOYSA-N 1 2 238.291 0.343 20 0 BCADLO CC[N@H+](CCOC)Cc1nc(C)cc(=O)[nH]1 ZINC000761861803 585421073 /nfs/dbraw/zinc/42/10/73/585421073.db2.gz XGNGHEOCVFULRW-UHFFFAOYSA-N 1 2 225.292 0.959 20 0 BCADLO CC[N@@H+](CCOC)Cc1nc(C)cc(=O)[nH]1 ZINC000761861803 585421074 /nfs/dbraw/zinc/42/10/74/585421074.db2.gz XGNGHEOCVFULRW-UHFFFAOYSA-N 1 2 225.292 0.959 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C(\C)C(=O)OC ZINC000761875816 585421848 /nfs/dbraw/zinc/42/18/48/585421848.db2.gz XVNXYFQNZWFQRV-PCYYEKQGSA-N 1 2 243.303 0.989 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000761875816 585421849 /nfs/dbraw/zinc/42/18/49/585421849.db2.gz XVNXYFQNZWFQRV-PCYYEKQGSA-N 1 2 243.303 0.989 20 0 BCADLO Cc1cc(=O)n(Cc2[nH+]cc(Cl)n2C)cn1 ZINC000762200826 585428751 /nfs/dbraw/zinc/42/87/51/585428751.db2.gz DFXAIIQUBCSCAB-UHFFFAOYSA-N 1 2 238.678 0.987 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCOC[C@H]1CCO ZINC000762332448 585430753 /nfs/dbraw/zinc/43/07/53/585430753.db2.gz CQECBQODDDXUEE-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCOC[C@H]1CCO ZINC000762332448 585430754 /nfs/dbraw/zinc/43/07/54/585430754.db2.gz CQECBQODDDXUEE-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[C@H]1CSCC[N@@H+]1CCF ZINC000762636327 585434630 /nfs/dbraw/zinc/43/46/30/585434630.db2.gz XGMHUMHUGUGYTJ-QMMMGPOBSA-N 1 2 221.297 0.936 20 0 BCADLO COC(=O)C[C@H]1CSCC[N@H+]1CCF ZINC000762636327 585434631 /nfs/dbraw/zinc/43/46/31/585434631.db2.gz XGMHUMHUGUGYTJ-QMMMGPOBSA-N 1 2 221.297 0.936 20 0 BCADLO CCN(OC)C(=S)NCC[NH+]1CCOCC1 ZINC000763367536 585447115 /nfs/dbraw/zinc/44/71/15/585447115.db2.gz CKZVYJVCGIHYOI-UHFFFAOYSA-N 1 2 247.364 0.076 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OCCOCCO ZINC000763423737 585447990 /nfs/dbraw/zinc/44/79/90/585447990.db2.gz KRFVXJGLFQDBFX-UHFFFAOYSA-N 1 2 238.287 0.850 20 0 BCADLO C[S@@](=O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000763559319 585450730 /nfs/dbraw/zinc/45/07/30/585450730.db2.gz DGHBWYBTJLGYIJ-OAHLLOKOSA-N 1 2 230.377 0.393 20 0 BCADLO C[S@](=O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000763559317 585450765 /nfs/dbraw/zinc/45/07/65/585450765.db2.gz DGHBWYBTJLGYIJ-HNNXBMFYSA-N 1 2 230.377 0.393 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763653882 585451442 /nfs/dbraw/zinc/45/14/42/585451442.db2.gz ZLEHDSWXWDLAID-QMMMGPOBSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763653882 585451443 /nfs/dbraw/zinc/45/14/43/585451443.db2.gz ZLEHDSWXWDLAID-QMMMGPOBSA-N 1 2 227.260 0.187 20 0 BCADLO C[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000763718166 585453369 /nfs/dbraw/zinc/45/33/69/585453369.db2.gz VLHAYOFWCQEWGR-QMMMGPOBSA-N 1 2 219.244 0.445 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)CC[S@@](=O)C1 ZINC000763878159 585455817 /nfs/dbraw/zinc/45/58/17/585455817.db2.gz RQMIZNKMDFSFHC-RFAUZJTJSA-N 1 2 233.333 0.060 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)CC[S@@](=O)C1 ZINC000763878159 585455818 /nfs/dbraw/zinc/45/58/18/585455818.db2.gz RQMIZNKMDFSFHC-RFAUZJTJSA-N 1 2 233.333 0.060 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)CC[S@](=O)C1 ZINC000763878160 585455859 /nfs/dbraw/zinc/45/58/59/585455859.db2.gz RQMIZNKMDFSFHC-VFZGTOFNSA-N 1 2 233.333 0.060 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)CC[S@](=O)C1 ZINC000763878160 585455860 /nfs/dbraw/zinc/45/58/60/585455860.db2.gz RQMIZNKMDFSFHC-VFZGTOFNSA-N 1 2 233.333 0.060 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764201124 585461166 /nfs/dbraw/zinc/46/11/66/585461166.db2.gz GXFQTRVRLPVYGW-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201124 585461167 /nfs/dbraw/zinc/46/11/67/585461167.db2.gz GXFQTRVRLPVYGW-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CC(=O)NCC(=O)OCc1cccc2[nH+]ccn21 ZINC000764784673 585473436 /nfs/dbraw/zinc/47/34/36/585473436.db2.gz PJWACXBZXHDSOP-UHFFFAOYSA-N 1 2 247.254 0.514 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)CC1(C)C ZINC000766998963 585512345 /nfs/dbraw/zinc/51/23/45/585512345.db2.gz KALWTMABXWUBOS-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)CC1(C)C ZINC000766998963 585512346 /nfs/dbraw/zinc/51/23/46/585512346.db2.gz KALWTMABXWUBOS-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)CC1(C)C ZINC000766998963 585512347 /nfs/dbraw/zinc/51/23/47/585512347.db2.gz KALWTMABXWUBOS-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)CC1(C)C ZINC000766998963 585512348 /nfs/dbraw/zinc/51/23/48/585512348.db2.gz KALWTMABXWUBOS-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767371637 585518104 /nfs/dbraw/zinc/51/81/04/585518104.db2.gz UZUVUYPOEVMRRE-MRVPVSSYSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767371637 585518105 /nfs/dbraw/zinc/51/81/05/585518105.db2.gz UZUVUYPOEVMRRE-MRVPVSSYSA-N 1 2 210.277 0.176 20 0 BCADLO CNC(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767431480 585520109 /nfs/dbraw/zinc/52/01/09/585520109.db2.gz WHYFWHZTOIKWBC-UHFFFAOYSA-N 1 2 239.319 0.313 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1cncnc1 ZINC000768215151 585534011 /nfs/dbraw/zinc/53/40/11/585534011.db2.gz QHYJIWJVVWDGGU-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cncnc1 ZINC000768215151 585534012 /nfs/dbraw/zinc/53/40/12/585534012.db2.gz QHYJIWJVVWDGGU-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CCn1nccc1C[N@H+](CC)CC(=O)NC ZINC000768304071 585535546 /nfs/dbraw/zinc/53/55/46/585535546.db2.gz WAGJWMLVYLKTAA-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1nccc1C[N@@H+](CC)CC(=O)NC ZINC000768304071 585535547 /nfs/dbraw/zinc/53/55/47/585535547.db2.gz WAGJWMLVYLKTAA-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)C(C)(C)F)CC1 ZINC000768400312 585537843 /nfs/dbraw/zinc/53/78/43/585537843.db2.gz AOAFWGAOUSCIDH-UHFFFAOYSA-N 1 2 246.326 0.915 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@H](C)CN1C ZINC000768768929 585542626 /nfs/dbraw/zinc/54/26/26/585542626.db2.gz DONNKNVTCJWNBP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@H](C)CN1C ZINC000768768929 585542627 /nfs/dbraw/zinc/54/26/27/585542627.db2.gz DONNKNVTCJWNBP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCS(C)(=O)=O ZINC000768768929 585542628 /nfs/dbraw/zinc/54/26/28/585542628.db2.gz DONNKNVTCJWNBP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCS(C)(=O)=O ZINC000768768929 585542629 /nfs/dbraw/zinc/54/26/29/585542629.db2.gz DONNKNVTCJWNBP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O ZINC000768812411 585544034 /nfs/dbraw/zinc/54/40/34/585544034.db2.gz IUGRQYHYWCGITA-MWLCHTKSSA-N 1 2 245.282 0.787 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cncnc1 ZINC000768916720 585545828 /nfs/dbraw/zinc/54/58/28/585545828.db2.gz VNEPNPWOHJMGFT-UHFFFAOYSA-N 1 2 208.265 0.045 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cncnc1 ZINC000768916720 585545829 /nfs/dbraw/zinc/54/58/29/585545829.db2.gz VNEPNPWOHJMGFT-UHFFFAOYSA-N 1 2 208.265 0.045 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OCCCO ZINC000768935953 585546443 /nfs/dbraw/zinc/54/64/43/585546443.db2.gz XKYPFESVXVURID-UHFFFAOYSA-N 1 2 204.270 0.682 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000809994900 585548406 /nfs/dbraw/zinc/54/84/06/585548406.db2.gz ACAAESDYYGAMPS-UHFFFAOYSA-N 1 2 241.316 0.877 20 0 BCADLO O=C1C[N@H+](Cc2cnc3cnccn23)CCCN1 ZINC000769108362 585549065 /nfs/dbraw/zinc/54/90/65/585549065.db2.gz NDFDZUWTKRKDEJ-UHFFFAOYSA-N 1 2 245.286 0.051 20 0 BCADLO O=C1C[N@@H+](Cc2cnc3cnccn23)CCCN1 ZINC000769108362 585549066 /nfs/dbraw/zinc/54/90/66/585549066.db2.gz NDFDZUWTKRKDEJ-UHFFFAOYSA-N 1 2 245.286 0.051 20 0 BCADLO CN1CC[N@H+](Cc2ccc3c(c2)COC3)CC1=O ZINC000769441064 585556484 /nfs/dbraw/zinc/55/64/84/585556484.db2.gz FZGPCJOEPGATJJ-UHFFFAOYSA-N 1 2 246.310 0.991 20 0 BCADLO CN1CC[N@@H+](Cc2ccc3c(c2)COC3)CC1=O ZINC000769441064 585556485 /nfs/dbraw/zinc/55/64/85/585556485.db2.gz FZGPCJOEPGATJJ-UHFFFAOYSA-N 1 2 246.310 0.991 20 0 BCADLO c1nc(C2CC[NH+](Cc3cn[nH]c3)CC2)n[nH]1 ZINC000769484774 585558189 /nfs/dbraw/zinc/55/81/89/585558189.db2.gz ZHRKFLJRNJDZJA-UHFFFAOYSA-N 1 2 232.291 0.907 20 0 BCADLO C[C@@H]1CN(C(=O)c2csnn2)CC[N@@H+]1C ZINC000769654715 585561217 /nfs/dbraw/zinc/56/12/17/585561217.db2.gz RNEYGCOTHKPNKO-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@@H]1CN(C(=O)c2csnn2)CC[N@H+]1C ZINC000769654715 585561218 /nfs/dbraw/zinc/56/12/18/585561218.db2.gz RNEYGCOTHKPNKO-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO CCNC(=S)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769791135 585563601 /nfs/dbraw/zinc/56/36/01/585563601.db2.gz FTCISXQHEQKWFD-RKDXNWHRSA-N 1 2 231.365 0.190 20 0 BCADLO CCNC(=S)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769791135 585563602 /nfs/dbraw/zinc/56/36/02/585563602.db2.gz FTCISXQHEQKWFD-RKDXNWHRSA-N 1 2 231.365 0.190 20 0 BCADLO CS(=O)(=O)[C@H]1CCCC[N@H+](CCF)C1 ZINC000769999107 585568962 /nfs/dbraw/zinc/56/89/62/585568962.db2.gz CHXSQIZMKONSIB-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CCF)C1 ZINC000769999107 585568963 /nfs/dbraw/zinc/56/89/63/585568963.db2.gz CHXSQIZMKONSIB-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO C[C@@H]1CN(C(=O)c2nccs2)CC[N@@H+]1C ZINC000770537779 585575987 /nfs/dbraw/zinc/57/59/87/585575987.db2.gz VJUMHKGASDEBIH-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@@H]1CN(C(=O)c2nccs2)CC[N@H+]1C ZINC000770537779 585575988 /nfs/dbraw/zinc/57/59/88/585575988.db2.gz VJUMHKGASDEBIH-MRVPVSSYSA-N 1 2 225.317 0.919 20 0 BCADLO OC1(C[N@@H+]2CCn3ncnc3C2)CCCCC1 ZINC000770685263 585579715 /nfs/dbraw/zinc/57/97/15/585579715.db2.gz GDFBAUAZGCHUGL-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO OC1(C[N@H+]2CCn3ncnc3C2)CCCCC1 ZINC000770685263 585579716 /nfs/dbraw/zinc/57/97/16/585579716.db2.gz GDFBAUAZGCHUGL-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)CC(C)C)c[nH+]1 ZINC000771048400 585588627 /nfs/dbraw/zinc/58/86/27/585588627.db2.gz GFWHUCCLKYTFFH-SECBINFHSA-N 1 2 225.292 0.855 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000771057180 585589205 /nfs/dbraw/zinc/58/92/05/585589205.db2.gz IKHFRQZZEVROCX-CMPLNLGQSA-N 1 2 249.314 0.333 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCc2ncccc21 ZINC000771758556 585599883 /nfs/dbraw/zinc/59/98/83/585599883.db2.gz OHVNQPFGODDDKS-UHFFFAOYSA-N 1 2 228.255 0.867 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771898929 585604185 /nfs/dbraw/zinc/60/41/85/585604185.db2.gz QVTHSGAUNMCYEN-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO CCO[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771911037 585604396 /nfs/dbraw/zinc/60/43/96/585604396.db2.gz KKHTVKFEXYRXBM-VIFPVBQESA-N 1 2 212.249 0.851 20 0 BCADLO CC(=O)NC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000771946360 585605189 /nfs/dbraw/zinc/60/51/89/585605189.db2.gz CDSBEESVJSOVTL-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO CC[C@@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000771939453 585605227 /nfs/dbraw/zinc/60/52/27/585605227.db2.gz LGJBTPWGFPTCKJ-SECBINFHSA-N 1 2 212.249 0.851 20 0 BCADLO CCC[C@@H](O)CC(=O)OCCn1cc[nH+]c1 ZINC000771971339 585605920 /nfs/dbraw/zinc/60/59/20/585605920.db2.gz WNQQPRZUIUYBKD-SNVBAGLBSA-N 1 2 226.276 0.977 20 0 BCADLO Cn1ncc(C(=O)OCCn2cc[nH+]c2)c1N ZINC000771996850 585606284 /nfs/dbraw/zinc/60/62/84/585606284.db2.gz ZXGRETFUCDSIBP-UHFFFAOYSA-N 1 2 235.247 0.056 20 0 BCADLO O=C(CC1(CO)CC1)OCCn1cc[nH+]c1 ZINC000772006110 585606571 /nfs/dbraw/zinc/60/65/71/585606571.db2.gz ZJHGBEDRYKVJFE-UHFFFAOYSA-N 1 2 224.260 0.589 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772046627 585607353 /nfs/dbraw/zinc/60/73/53/585607353.db2.gz KUDIVZHGBBCJLD-NXEZZACHSA-N 1 2 245.344 0.944 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772046627 585607354 /nfs/dbraw/zinc/60/73/54/585607354.db2.gz KUDIVZHGBBCJLD-NXEZZACHSA-N 1 2 245.344 0.944 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000772330495 585612790 /nfs/dbraw/zinc/61/27/90/585612790.db2.gz YVDOEFGJLJAYEB-LLVKDONJSA-N 1 2 243.303 0.431 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H](C)OC)C1 ZINC000805468235 585620233 /nfs/dbraw/zinc/62/02/33/585620233.db2.gz FQUYOLMHJYTCCI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H](C)OC)C1 ZINC000805468235 585620234 /nfs/dbraw/zinc/62/02/34/585620234.db2.gz FQUYOLMHJYTCCI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000772775768 585623511 /nfs/dbraw/zinc/62/35/11/585623511.db2.gz AZVWAHDAAHXIMA-BHDSKKPTSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000772775768 585623512 /nfs/dbraw/zinc/62/35/12/585623512.db2.gz AZVWAHDAAHXIMA-BHDSKKPTSA-N 1 2 217.334 0.807 20 0 BCADLO C/C=C\COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805474951 585627449 /nfs/dbraw/zinc/62/74/49/585627449.db2.gz VOUYMDOHEGEOOL-ATPLWMGHSA-N 1 2 213.277 0.826 20 0 BCADLO C/C=C\COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805474951 585627450 /nfs/dbraw/zinc/62/74/50/585627450.db2.gz VOUYMDOHEGEOOL-ATPLWMGHSA-N 1 2 213.277 0.826 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCF)C1 ZINC000805475480 585628208 /nfs/dbraw/zinc/62/82/08/585628208.db2.gz RFSWGZAUYXTYSL-MRVPVSSYSA-N 1 2 205.229 0.220 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCF)C1 ZINC000805475480 585628209 /nfs/dbraw/zinc/62/82/09/585628209.db2.gz RFSWGZAUYXTYSL-MRVPVSSYSA-N 1 2 205.229 0.220 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ncccn1 ZINC000773822016 585644625 /nfs/dbraw/zinc/64/46/25/585644625.db2.gz FTKKYAZLPZHCNR-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H](O)C(C)(C)C ZINC000773845615 585644690 /nfs/dbraw/zinc/64/46/90/585644690.db2.gz IHOQJOQVPRXAJR-JTQLQIEISA-N 1 2 239.319 0.486 20 0 BCADLO CC(C)C1(O)C[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000773894802 585645756 /nfs/dbraw/zinc/64/57/56/585645756.db2.gz BDJPAXTYEOZTBU-GFCCVEGCSA-N 1 2 248.326 0.916 20 0 BCADLO CC(C)C1(O)CN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000773892571 585646023 /nfs/dbraw/zinc/64/60/23/585646023.db2.gz HJUXQYSNFDJGLV-GFCCVEGCSA-N 1 2 242.363 0.410 20 0 BCADLO CC(C)C1(O)C[NH+](CC2OCCO2)C1 ZINC000773896074 585646174 /nfs/dbraw/zinc/64/61/74/585646174.db2.gz XVEBIDHWFWBEOK-UHFFFAOYSA-N 1 2 201.266 0.062 20 0 BCADLO CC(C)C1(O)C[NH+](CC(=O)NCC2CCC2)C1 ZINC000773896178 585646222 /nfs/dbraw/zinc/64/62/22/585646222.db2.gz JSINPSACSSCMMV-UHFFFAOYSA-N 1 2 240.347 0.605 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@H]1COCCO1 ZINC000774059252 585649264 /nfs/dbraw/zinc/64/92/64/585649264.db2.gz YZYRCPRDRDMNSN-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@H]1COCCO1 ZINC000774059252 585649265 /nfs/dbraw/zinc/64/92/65/585649265.db2.gz YZYRCPRDRDMNSN-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1 ZINC000774072611 585649764 /nfs/dbraw/zinc/64/97/64/585649764.db2.gz SWGAAYMNMCVLJP-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1 ZINC000774072611 585649765 /nfs/dbraw/zinc/64/97/65/585649765.db2.gz SWGAAYMNMCVLJP-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO C[NH+]1CCN(CC(=O)NOC2CCCC2)CC1 ZINC000775600841 585681244 /nfs/dbraw/zinc/68/12/44/585681244.db2.gz NAGWRPZFIHDFGP-UHFFFAOYSA-N 1 2 241.335 0.224 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776580077 585701066 /nfs/dbraw/zinc/70/10/66/585701066.db2.gz QWALYZXPZUYARY-JTQLQIEISA-N 1 2 243.303 0.681 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776580077 585701067 /nfs/dbraw/zinc/70/10/67/585701067.db2.gz QWALYZXPZUYARY-JTQLQIEISA-N 1 2 243.303 0.681 20 0 BCADLO S=C1OCCN1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776772671 585705046 /nfs/dbraw/zinc/70/50/46/585705046.db2.gz OAXZXRPBSQHBOA-SNVBAGLBSA-N 1 2 242.344 0.672 20 0 BCADLO S=C1OCCN1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776772671 585705047 /nfs/dbraw/zinc/70/50/47/585705047.db2.gz OAXZXRPBSQHBOA-SNVBAGLBSA-N 1 2 242.344 0.672 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776774100 585705122 /nfs/dbraw/zinc/70/51/22/585705122.db2.gz ZHLGAXZBMBCXCY-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776774100 585705123 /nfs/dbraw/zinc/70/51/23/585705123.db2.gz ZHLGAXZBMBCXCY-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000776764874 585705216 /nfs/dbraw/zinc/70/52/16/585705216.db2.gz SDCIRZRAOQBPMT-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000776764874 585705217 /nfs/dbraw/zinc/70/52/17/585705217.db2.gz SDCIRZRAOQBPMT-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000777456675 585712629 /nfs/dbraw/zinc/71/26/29/585712629.db2.gz BMDMTVSRDRAFDR-SNVBAGLBSA-N 1 2 245.286 0.970 20 0 BCADLO CCOC(=O)C[N@H+](CC(C)C)CC1OCCO1 ZINC000777561167 585715411 /nfs/dbraw/zinc/71/54/11/585715411.db2.gz FEBCVLLBTHUWBF-UHFFFAOYSA-N 1 2 245.319 0.880 20 0 BCADLO CCOC(=O)C[N@@H+](CC(C)C)CC1OCCO1 ZINC000777561167 585715412 /nfs/dbraw/zinc/71/54/12/585715412.db2.gz FEBCVLLBTHUWBF-UHFFFAOYSA-N 1 2 245.319 0.880 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000777598907 585716766 /nfs/dbraw/zinc/71/67/66/585716766.db2.gz CMMCKZVFZHSVAU-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000777598907 585716767 /nfs/dbraw/zinc/71/67/67/585716767.db2.gz CMMCKZVFZHSVAU-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000777615310 585717083 /nfs/dbraw/zinc/71/70/83/585717083.db2.gz QFURJAVWYXCQRM-SECBINFHSA-N 1 2 236.275 0.604 20 0 BCADLO C[N@H+](C[C@H](O)C(F)(F)F)CC1OCCO1 ZINC000777725566 585719240 /nfs/dbraw/zinc/71/92/40/585719240.db2.gz USAVVLBESZABEO-LURJTMIESA-N 1 2 229.198 0.214 20 0 BCADLO C[N@@H+](C[C@H](O)C(F)(F)F)CC1OCCO1 ZINC000777725566 585719241 /nfs/dbraw/zinc/71/92/41/585719241.db2.gz USAVVLBESZABEO-LURJTMIESA-N 1 2 229.198 0.214 20 0 BCADLO CC[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000778229864 585728554 /nfs/dbraw/zinc/72/85/54/585728554.db2.gz BAZWGGCQVXRWFV-VIFPVBQESA-N 1 2 233.271 0.835 20 0 BCADLO CON(C)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778226937 585728560 /nfs/dbraw/zinc/72/85/60/585728560.db2.gz UTJONXWUZLCESW-SECBINFHSA-N 1 2 238.291 0.566 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C[C@@H]1F ZINC000778232760 585729024 /nfs/dbraw/zinc/72/90/24/585729024.db2.gz GVBSAVCXCQAJLW-VGMNWLOBSA-N 1 2 201.241 0.982 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C[C@@H]1F ZINC000778232760 585729025 /nfs/dbraw/zinc/72/90/25/585729025.db2.gz GVBSAVCXCQAJLW-VGMNWLOBSA-N 1 2 201.241 0.982 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000779074196 585744546 /nfs/dbraw/zinc/74/45/46/585744546.db2.gz OIKLKSHZQWGRMU-PELKAZGASA-N 1 2 249.318 0.836 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779097058 585745214 /nfs/dbraw/zinc/74/52/14/585745214.db2.gz TZTVBDWXFOCKCF-MRVPVSSYSA-N 1 2 247.258 0.319 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(F)nc1 ZINC000779154022 585746149 /nfs/dbraw/zinc/74/61/49/585746149.db2.gz NKBOTMGXHZGQRJ-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(F)nc1 ZINC000779154022 585746150 /nfs/dbraw/zinc/74/61/50/585746150.db2.gz NKBOTMGXHZGQRJ-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cncc(F)c1 ZINC000779153556 585746459 /nfs/dbraw/zinc/74/64/59/585746459.db2.gz GMSRHIBNFKFCSL-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cncc(F)c1 ZINC000779153556 585746460 /nfs/dbraw/zinc/74/64/60/585746460.db2.gz GMSRHIBNFKFCSL-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO Fc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000779172959 585746539 /nfs/dbraw/zinc/74/65/39/585746539.db2.gz XRJRYXPRQYQDGA-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000779172959 585746540 /nfs/dbraw/zinc/74/65/40/585746540.db2.gz XRJRYXPRQYQDGA-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO CNC(=O)C1([NH2+]Cc2cn[nH]c2C)CCCC1 ZINC000779176019 585746561 /nfs/dbraw/zinc/74/65/61/585746561.db2.gz YYQWBXUQMFVFGY-UHFFFAOYSA-N 1 2 236.319 0.867 20 0 BCADLO CC[C@H](CO)C(=O)NCCc1[nH]cc[nH+]1 ZINC000779778873 585762264 /nfs/dbraw/zinc/76/22/64/585762264.db2.gz PBNYACHSJYZCBV-MRVPVSSYSA-N 1 2 211.265 0.087 20 0 BCADLO CC[C@H](CO)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000779789869 585763421 /nfs/dbraw/zinc/76/34/21/585763421.db2.gz YAYARJJHFZIVIS-GHMZBOCLSA-N 1 2 239.319 0.654 20 0 BCADLO Cc1cc(CO[NH+]=C(N)CCO)nn1C ZINC000780127787 585772822 /nfs/dbraw/zinc/77/28/22/585772822.db2.gz QAMBSFBZMOWUFY-UHFFFAOYSA-N 1 2 212.253 0.109 20 0 BCADLO COC[C@@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000780128977 585772924 /nfs/dbraw/zinc/77/29/24/585772924.db2.gz XIGQZHHSEADDOF-SECBINFHSA-N 1 2 247.364 0.569 20 0 BCADLO CC(C)OCC(N)=[NH+]OCc1ccnn1C ZINC000781154319 585791555 /nfs/dbraw/zinc/79/15/55/585791555.db2.gz MYHHWOBMDBZWDG-UHFFFAOYSA-N 1 2 226.280 0.844 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](CC(OC)OC)C1 ZINC000781900036 585805144 /nfs/dbraw/zinc/80/51/44/585805144.db2.gz UJYSKJKIFPQWBT-JTQLQIEISA-N 1 2 235.255 0.192 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](CC(OC)OC)C1 ZINC000781900036 585805145 /nfs/dbraw/zinc/80/51/45/585805145.db2.gz UJYSKJKIFPQWBT-JTQLQIEISA-N 1 2 235.255 0.192 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC(OC)OC ZINC000781917947 585805424 /nfs/dbraw/zinc/80/54/24/585805424.db2.gz NZXGUVSKUFSTEL-ZJUUUORDSA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(OC)OC ZINC000781917947 585805425 /nfs/dbraw/zinc/80/54/25/585805425.db2.gz NZXGUVSKUFSTEL-ZJUUUORDSA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC(OC)OC ZINC000781917944 585805516 /nfs/dbraw/zinc/80/55/16/585805516.db2.gz NZXGUVSKUFSTEL-NXEZZACHSA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC(OC)OC ZINC000781917944 585805517 /nfs/dbraw/zinc/80/55/17/585805517.db2.gz NZXGUVSKUFSTEL-NXEZZACHSA-N 1 2 245.319 0.879 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000781927626 585805533 /nfs/dbraw/zinc/80/55/33/585805533.db2.gz ZEBQPEKEOFZDAS-JTQLQIEISA-N 1 2 224.260 0.226 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000781927626 585805534 /nfs/dbraw/zinc/80/55/34/585805534.db2.gz ZEBQPEKEOFZDAS-JTQLQIEISA-N 1 2 224.260 0.226 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781999947 585806381 /nfs/dbraw/zinc/80/63/81/585806381.db2.gz ROXKFDBPHRYTEU-QMMMGPOBSA-N 1 2 242.275 0.122 20 0 BCADLO CO[C@@H](C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000782432653 585818066 /nfs/dbraw/zinc/81/80/66/585818066.db2.gz QMYMKZIBDNFYGX-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC000782479489 585818632 /nfs/dbraw/zinc/81/86/32/585818632.db2.gz VQYWSPDMBCOVGU-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC000782479489 585818633 /nfs/dbraw/zinc/81/86/33/585818633.db2.gz VQYWSPDMBCOVGU-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H]1CCOC1=O)CC2 ZINC000782515763 585819212 /nfs/dbraw/zinc/81/92/12/585819212.db2.gz ARKDDCGINRHFOW-VIFPVBQESA-N 1 2 221.260 0.323 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H]1CCOC1=O ZINC000782584730 585820468 /nfs/dbraw/zinc/82/04/68/585820468.db2.gz KZJZPDHVYGGGQJ-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H]1CCOC1=O ZINC000782584730 585820469 /nfs/dbraw/zinc/82/04/69/585820469.db2.gz KZJZPDHVYGGGQJ-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO CCCCOCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782586703 585820825 /nfs/dbraw/zinc/82/08/25/585820825.db2.gz UUCKDPXYJXEBRX-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782586703 585820826 /nfs/dbraw/zinc/82/08/26/585820826.db2.gz UUCKDPXYJXEBRX-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000782593050 585821274 /nfs/dbraw/zinc/82/12/74/585821274.db2.gz BTHYRXUYFPJXMR-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000782593050 585821275 /nfs/dbraw/zinc/82/12/75/585821275.db2.gz BTHYRXUYFPJXMR-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000782616284 585822530 /nfs/dbraw/zinc/82/25/30/585822530.db2.gz AUBDPWANQWDCGH-SCZZXKLOSA-N 1 2 225.317 0.661 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000782616284 585822531 /nfs/dbraw/zinc/82/25/31/585822531.db2.gz AUBDPWANQWDCGH-SCZZXKLOSA-N 1 2 225.317 0.661 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000782619071 585822850 /nfs/dbraw/zinc/82/28/50/585822850.db2.gz CPUBKABBFTXSDE-GZMMTYOYSA-N 1 2 222.292 0.181 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000782619071 585822851 /nfs/dbraw/zinc/82/28/51/585822851.db2.gz CPUBKABBFTXSDE-GZMMTYOYSA-N 1 2 222.292 0.181 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782628433 585823389 /nfs/dbraw/zinc/82/33/89/585823389.db2.gz NECAWEUCGVMSLG-AEJSXWLSSA-N 1 2 230.308 0.504 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782628433 585823390 /nfs/dbraw/zinc/82/33/90/585823390.db2.gz NECAWEUCGVMSLG-AEJSXWLSSA-N 1 2 230.308 0.504 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000782634933 585823570 /nfs/dbraw/zinc/82/35/70/585823570.db2.gz MTHAGDXSWXLZHF-UHFFFAOYSA-N 1 2 241.316 0.521 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000782634933 585823571 /nfs/dbraw/zinc/82/35/71/585823571.db2.gz MTHAGDXSWXLZHF-UHFFFAOYSA-N 1 2 241.316 0.521 20 0 BCADLO CO[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783094605 585827910 /nfs/dbraw/zinc/82/79/10/585827910.db2.gz BIAWRLDWNXKYHS-VIFPVBQESA-N 1 2 212.249 0.851 20 0 BCADLO Nc1cnccc1C(=O)OCCn1cc[nH+]c1 ZINC000783179863 585829118 /nfs/dbraw/zinc/82/91/18/585829118.db2.gz OYVIBZDXXGWXJW-UHFFFAOYSA-N 1 2 232.243 0.717 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)[C@@H](C)[C@H](C)O1 ZINC000783540614 585836285 /nfs/dbraw/zinc/83/62/85/585836285.db2.gz FGVJZEWQTQZEQR-UTLUCORTSA-N 1 2 210.281 0.733 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)[C@@H](C)[C@H](C)O1 ZINC000783540614 585836286 /nfs/dbraw/zinc/83/62/86/585836286.db2.gz FGVJZEWQTQZEQR-UTLUCORTSA-N 1 2 210.281 0.733 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCOC1CCC1 ZINC000805749339 585839056 /nfs/dbraw/zinc/83/90/56/585839056.db2.gz WXIMPEVXSBJBNY-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCOC1CCC1 ZINC000805749339 585839057 /nfs/dbraw/zinc/83/90/57/585839057.db2.gz WXIMPEVXSBJBNY-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783731988 585840829 /nfs/dbraw/zinc/84/08/29/585840829.db2.gz ARWMHERLMMWSLP-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783731988 585840830 /nfs/dbraw/zinc/84/08/30/585840830.db2.gz ARWMHERLMMWSLP-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783738985 585841575 /nfs/dbraw/zinc/84/15/75/585841575.db2.gz DPQGJOKXZVTCRR-WDEREUQCSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783738985 585841576 /nfs/dbraw/zinc/84/15/76/585841576.db2.gz DPQGJOKXZVTCRR-WDEREUQCSA-N 1 2 207.277 0.532 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000783878380 585845206 /nfs/dbraw/zinc/84/52/06/585845206.db2.gz NRQCAWJAWVCTIB-GHMZBOCLSA-N 1 2 238.287 0.977 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000783878381 585845302 /nfs/dbraw/zinc/84/53/02/585845302.db2.gz NRQCAWJAWVCTIB-MNOVXSKESA-N 1 2 238.287 0.977 20 0 BCADLO C[C@@H]1C[N@H+](Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC000784011775 585846939 /nfs/dbraw/zinc/84/69/39/585846939.db2.gz YRFVZZCPFPZWEL-JTQLQIEISA-N 1 2 238.335 0.907 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC000784011775 585846940 /nfs/dbraw/zinc/84/69/40/585846940.db2.gz YRFVZZCPFPZWEL-JTQLQIEISA-N 1 2 238.335 0.907 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000784135802 585851022 /nfs/dbraw/zinc/85/10/22/585851022.db2.gz RTRVCZRQHJYHCF-QWRGUYRKSA-N 1 2 243.326 0.097 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000784135803 585851096 /nfs/dbraw/zinc/85/10/96/585851096.db2.gz RTRVCZRQHJYHCF-WDEREUQCSA-N 1 2 243.326 0.097 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)OCC[NH+]2CCOCC2)CO1 ZINC000784276330 585854125 /nfs/dbraw/zinc/85/41/25/585854125.db2.gz HWCIDFCRJVRNBO-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000784355084 585856612 /nfs/dbraw/zinc/85/66/12/585856612.db2.gz YTKHUYPHVVACJY-WDEREUQCSA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@@H](F)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000784390432 585858129 /nfs/dbraw/zinc/85/81/29/585858129.db2.gz YXJIBTSWMUILAG-LLVKDONJSA-N 1 2 246.326 0.771 20 0 BCADLO C[C@H](NC(=O)OCC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000785129837 585870846 /nfs/dbraw/zinc/87/08/46/585870846.db2.gz IDEDMPMGPCUJEV-ONGXEEELSA-N 1 2 242.319 0.842 20 0 BCADLO C[C@H](NC(=O)OCC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000785129837 585870847 /nfs/dbraw/zinc/87/08/47/585870847.db2.gz IDEDMPMGPCUJEV-ONGXEEELSA-N 1 2 242.319 0.842 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCNC(=O)C1 ZINC000785675822 585877606 /nfs/dbraw/zinc/87/76/06/585877606.db2.gz IUPVXZRGDIFRMW-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ncccc1C[N@H+]1CCCNC(=O)C1 ZINC000785675822 585877607 /nfs/dbraw/zinc/87/76/07/585877607.db2.gz IUPVXZRGDIFRMW-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO Cn1ccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000785692920 585878365 /nfs/dbraw/zinc/87/83/65/585878365.db2.gz LLUMXCQFDVFLCJ-UHFFFAOYSA-N 1 2 220.232 0.474 20 0 BCADLO CC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785737776 585879229 /nfs/dbraw/zinc/87/92/29/585879229.db2.gz ZHGYQYMFUNSZCK-RKDXNWHRSA-N 1 2 213.277 0.991 20 0 BCADLO COC/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000786602375 585895794 /nfs/dbraw/zinc/89/57/94/585895794.db2.gz IFXQJVZWVMQWGS-PGLGOXFNSA-N 1 2 243.303 0.453 20 0 BCADLO O=C(NCc1ccon1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787108559 585901523 /nfs/dbraw/zinc/90/15/23/585901523.db2.gz HRUHLQXHRSNICS-SECBINFHSA-N 1 2 246.270 0.750 20 0 BCADLO C[S@@](=O)CC[NH+]1CCN(CC2(C)CC2)CC1 ZINC000787181895 585902597 /nfs/dbraw/zinc/90/25/97/585902597.db2.gz NOKGNJOTTTYHDB-MRXNPFEDSA-N 1 2 244.404 0.783 20 0 BCADLO C[S@](=O)CC[NH+]1CCN(CC2(C)CC2)CC1 ZINC000787181894 585902665 /nfs/dbraw/zinc/90/26/65/585902665.db2.gz NOKGNJOTTTYHDB-INIZCTEOSA-N 1 2 244.404 0.783 20 0 BCADLO OCC[C@H]1COCC[N@@H+]1CCOCC(F)F ZINC000787274123 585904470 /nfs/dbraw/zinc/90/44/70/585904470.db2.gz ZXRKWWCQRZZYPW-VIFPVBQESA-N 1 2 239.262 0.351 20 0 BCADLO OCC[C@H]1COCC[N@H+]1CCOCC(F)F ZINC000787274123 585904471 /nfs/dbraw/zinc/90/44/71/585904471.db2.gz ZXRKWWCQRZZYPW-VIFPVBQESA-N 1 2 239.262 0.351 20 0 BCADLO C[C@H](NC(=O)C(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000787325135 585907016 /nfs/dbraw/zinc/90/70/16/585907016.db2.gz WPRSIUNLNHCBQM-YUMQZZPRSA-N 1 2 236.262 0.477 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000787389665 585908383 /nfs/dbraw/zinc/90/83/83/585908383.db2.gz AQCFYVHDAIJRSL-VIFPVBQESA-N 1 2 244.360 0.471 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000787389665 585908384 /nfs/dbraw/zinc/90/83/84/585908384.db2.gz AQCFYVHDAIJRSL-VIFPVBQESA-N 1 2 244.360 0.471 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000787537834 585911382 /nfs/dbraw/zinc/91/13/82/585911382.db2.gz FUAQPPZJDTUQJD-LURJTMIESA-N 1 2 215.203 0.579 20 0 BCADLO CN1C[C@H](C(=O)OCc2cc[nH+]c(N)c2)CC1=O ZINC000787608648 585912837 /nfs/dbraw/zinc/91/28/37/585912837.db2.gz XBRUGEWSKIXHDP-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH+]2CCOCC2)C1(F)F ZINC000787770406 585915653 /nfs/dbraw/zinc/91/56/53/585915653.db2.gz PZIRVQVEQGFDEU-JGVFFNPUSA-N 1 2 235.230 0.373 20 0 BCADLO O=C(Cc1cc[nH]n1)OCCn1cc[nH+]c1 ZINC000787783021 585915896 /nfs/dbraw/zinc/91/58/96/585915896.db2.gz JJWJCANCAQXNLD-UHFFFAOYSA-N 1 2 220.232 0.392 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnnn1C ZINC000787794325 585916314 /nfs/dbraw/zinc/91/63/14/585916314.db2.gz UWKKOYOVPCOGSB-QMMMGPOBSA-N 1 2 249.278 0.222 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnnn1C ZINC000787794318 585916322 /nfs/dbraw/zinc/91/63/22/585916322.db2.gz UWKKOYOVPCOGSB-MRVPVSSYSA-N 1 2 249.278 0.222 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC(C)(COC)C1 ZINC000788439072 585923687 /nfs/dbraw/zinc/92/36/87/585923687.db2.gz PURJQXIMUMBZQM-UHFFFAOYSA-N 1 2 235.349 0.389 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H]1CCOC1=O)C1CC1 ZINC000788466969 585924966 /nfs/dbraw/zinc/92/49/66/585924966.db2.gz XXFMBMOCAUMNIW-UWVGGRQHSA-N 1 2 241.287 0.481 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859275029 589026742 /nfs/dbraw/zinc/02/67/42/589026742.db2.gz XFXSITAZNAQKEA-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859275029 589026743 /nfs/dbraw/zinc/02/67/43/589026743.db2.gz XFXSITAZNAQKEA-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO CC1(NC(=S)NCCn2cc[nH+]c2)CC1 ZINC000789175505 585936323 /nfs/dbraw/zinc/93/63/23/585936323.db2.gz VCQAVDREJUJRQO-UHFFFAOYSA-N 1 2 224.333 0.900 20 0 BCADLO CCONC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000789202303 585936731 /nfs/dbraw/zinc/93/67/31/585936731.db2.gz DFBUHMZOIWSXQY-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC000789322051 585939607 /nfs/dbraw/zinc/93/96/07/585939607.db2.gz NBGIPLHKTZNUTN-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC000789322051 585939608 /nfs/dbraw/zinc/93/96/08/585939608.db2.gz NBGIPLHKTZNUTN-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC000789322050 585939842 /nfs/dbraw/zinc/93/98/42/585939842.db2.gz NBGIPLHKTZNUTN-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC000789322050 585939843 /nfs/dbraw/zinc/93/98/43/585939843.db2.gz NBGIPLHKTZNUTN-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)CN1CC[NH+](C/C=C/Cl)CC1 ZINC000789404698 585942220 /nfs/dbraw/zinc/94/22/20/585942220.db2.gz IKWMPWCUAXQKOP-NSCUHMNNSA-N 1 2 232.711 0.530 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)C(=O)OC ZINC000789574074 585944330 /nfs/dbraw/zinc/94/43/30/585944330.db2.gz WGUBNIWNMZUKCV-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO COCCOCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789607070 585946193 /nfs/dbraw/zinc/94/61/93/585946193.db2.gz HVIYPAYLCIHHMN-VIFPVBQESA-N 1 2 232.280 0.327 20 0 BCADLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NC1CC1 ZINC000789607886 585946321 /nfs/dbraw/zinc/94/63/21/585946321.db2.gz JALZJHXPGYEFIQ-VXNVDRBHSA-N 1 2 241.291 0.331 20 0 BCADLO CC(C)OC[C@@H](O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789607830 585946335 /nfs/dbraw/zinc/94/63/35/585946335.db2.gz IGVOFSJZKOLOJK-NXEZZACHSA-N 1 2 246.307 0.450 20 0 BCADLO CC(C)(O)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789609430 585946427 /nfs/dbraw/zinc/94/64/27/585946427.db2.gz NLYJUVIZCAHRMT-MRVPVSSYSA-N 1 2 216.281 0.825 20 0 BCADLO CCCNC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789613763 585946828 /nfs/dbraw/zinc/94/68/28/585946828.db2.gz UPNQZLUGVSNSBA-DTWKUNHWSA-N 1 2 243.307 0.579 20 0 BCADLO C[C@H](C(=O)Nc1cn[nH]n1)[NH+]1CCSCC1 ZINC000789927488 585952937 /nfs/dbraw/zinc/95/29/37/585952937.db2.gz MHZIAJQNLPORNQ-SSDOTTSWSA-N 1 2 241.320 0.181 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000789950372 585954581 /nfs/dbraw/zinc/95/45/81/585954581.db2.gz JDSCGBFURRFSHI-UHFFFAOYSA-N 1 2 249.318 0.423 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000790007710 585955928 /nfs/dbraw/zinc/95/59/28/585955928.db2.gz LUFCSSPGQJJVCP-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000790007710 585955929 /nfs/dbraw/zinc/95/59/29/585955929.db2.gz LUFCSSPGQJJVCP-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO C/C=C\C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790130963 585958594 /nfs/dbraw/zinc/95/85/94/585958594.db2.gz CBUFBBQDSPKSBQ-WYGGZMRJSA-N 1 2 226.320 0.742 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000790298301 585962422 /nfs/dbraw/zinc/96/24/22/585962422.db2.gz ULBBXMOXBQOMEH-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](OC)C1 ZINC000790298301 585962423 /nfs/dbraw/zinc/96/24/23/585962423.db2.gz ULBBXMOXBQOMEH-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1ncccn1 ZINC000790502506 585965771 /nfs/dbraw/zinc/96/57/71/585965771.db2.gz BWVMGSDINPYNNE-ZETCQYMHSA-N 1 2 210.237 0.510 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000790555079 585966141 /nfs/dbraw/zinc/96/61/41/585966141.db2.gz NDFAACRYHPZVMW-GUBZILKMSA-N 1 2 243.303 0.869 20 0 BCADLO CC1(CNC(=O)CCc2[nH]cc[nH+]2)OCCO1 ZINC000791393613 585980150 /nfs/dbraw/zinc/98/01/50/585980150.db2.gz WXTWGAFAGCKSSN-UHFFFAOYSA-N 1 2 239.275 0.222 20 0 BCADLO C[C@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000791939702 585992055 /nfs/dbraw/zinc/99/20/55/585992055.db2.gz RYRJWSARPUDLEL-ZDUSSCGKSA-N 1 2 245.282 0.931 20 0 BCADLO COC[C@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791950118 585992322 /nfs/dbraw/zinc/99/23/22/585992322.db2.gz LPMPFTXVGYIBOE-NSHDSACASA-N 1 2 240.259 0.104 20 0 BCADLO CCON(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000792570727 586002773 /nfs/dbraw/zinc/00/27/73/586002773.db2.gz FDPLSEUVHQOSQZ-VIFPVBQESA-N 1 2 226.280 0.865 20 0 BCADLO CC[C@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000793251802 586014937 /nfs/dbraw/zinc/01/49/37/586014937.db2.gz AEZWCWPZQRPBSP-JTQLQIEISA-N 1 2 226.276 0.931 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793257438 586015364 /nfs/dbraw/zinc/01/53/64/586015364.db2.gz HHNZMSPWXXRQSK-MNOVXSKESA-N 1 2 238.287 0.931 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cocn1 ZINC000793258604 586015441 /nfs/dbraw/zinc/01/54/41/586015441.db2.gz NBURBKZLWBJNIR-UHFFFAOYSA-N 1 2 221.216 0.808 20 0 BCADLO Cn1ncc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)n1 ZINC000793306485 586016530 /nfs/dbraw/zinc/01/65/30/586016530.db2.gz UFBLPFDKAQCJJB-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1ncc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC000793306485 586016531 /nfs/dbraw/zinc/01/65/31/586016531.db2.gz UFBLPFDKAQCJJB-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO O=C([C@@H]1CCC=CO1)N1CCn2c[nH+]cc2C1 ZINC000793511369 586021210 /nfs/dbraw/zinc/02/12/10/586021210.db2.gz IZUSCEHUBQGQQS-NSHDSACASA-N 1 2 233.271 0.918 20 0 BCADLO O=C([C@H]1CCC=CO1)N1CCn2c[nH+]cc2C1 ZINC000793511367 586021454 /nfs/dbraw/zinc/02/14/54/586021454.db2.gz IZUSCEHUBQGQQS-LLVKDONJSA-N 1 2 233.271 0.918 20 0 BCADLO COC/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000793588742 586023562 /nfs/dbraw/zinc/02/35/62/586023562.db2.gz LYHWNYFOVJDIPH-HPOULIHZSA-N 1 2 235.287 0.586 20 0 BCADLO COCC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000793588742 586023563 /nfs/dbraw/zinc/02/35/63/586023563.db2.gz LYHWNYFOVJDIPH-HPOULIHZSA-N 1 2 235.287 0.586 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](CCO)C1CC1 ZINC000793672250 586024483 /nfs/dbraw/zinc/02/44/83/586024483.db2.gz KKGYBIGGYIRTBZ-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](CCO)C1CC1 ZINC000793672250 586024484 /nfs/dbraw/zinc/02/44/84/586024484.db2.gz KKGYBIGGYIRTBZ-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO CC(=O)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC000793740165 586025675 /nfs/dbraw/zinc/02/56/75/586025675.db2.gz UFSPIFMFQSAJPE-UHFFFAOYSA-N 1 2 237.303 0.790 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NOCC(F)F ZINC000793813448 586026892 /nfs/dbraw/zinc/02/68/92/586026892.db2.gz GRVLLBVRZIOACM-UHFFFAOYSA-N 1 2 233.218 0.666 20 0 BCADLO CC[C@@H](NC(=O)CC1OCCO1)c1[nH]cc[nH+]1 ZINC000793827513 586027584 /nfs/dbraw/zinc/02/75/84/586027584.db2.gz AVDMCNUZLPTUFL-MRVPVSSYSA-N 1 2 239.275 0.740 20 0 BCADLO NC(Cc1cccnc1)=[NH+]O[C@@H]1CCOC1 ZINC000794522239 586041786 /nfs/dbraw/zinc/04/17/86/586041786.db2.gz PRWLMOHFGCAVRV-SNVBAGLBSA-N 1 2 221.260 0.911 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@@]2(CCOC2)O1 ZINC000794707674 586047044 /nfs/dbraw/zinc/04/70/44/586047044.db2.gz WILSNXJXDBVDGX-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@@]2(CCOC2)O1 ZINC000794707674 586047045 /nfs/dbraw/zinc/04/70/45/586047045.db2.gz WILSNXJXDBVDGX-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO Cc1nsc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000794731543 586047542 /nfs/dbraw/zinc/04/75/42/586047542.db2.gz OYHYMJLSIBSUAK-UHFFFAOYSA-N 1 2 237.288 0.473 20 0 BCADLO CO[C@@H]1CC[N@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795441109 586078860 /nfs/dbraw/zinc/07/88/60/586078860.db2.gz VRNLRECUKIXCJN-DTWKUNHWSA-N 1 2 248.273 0.778 20 0 BCADLO CO[C@@H]1CC[N@@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795441109 586078862 /nfs/dbraw/zinc/07/88/62/586078862.db2.gz VRNLRECUKIXCJN-DTWKUNHWSA-N 1 2 248.273 0.778 20 0 BCADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000795750673 586091635 /nfs/dbraw/zinc/09/16/35/586091635.db2.gz MCIXFYPDVSAJTC-VIFPVBQESA-N 1 2 242.319 0.696 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000795750673 586091636 /nfs/dbraw/zinc/09/16/36/586091636.db2.gz MCIXFYPDVSAJTC-VIFPVBQESA-N 1 2 242.319 0.696 20 0 BCADLO CO[C@@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000795827046 586092907 /nfs/dbraw/zinc/09/29/07/586092907.db2.gz DPBKSXIIYDMVFK-SNVBAGLBSA-N 1 2 224.260 0.851 20 0 BCADLO CC[N@@H+]1CCN(CCS(C)(=O)=O)[C@@H](C)C1 ZINC000796315464 586100524 /nfs/dbraw/zinc/10/05/24/586100524.db2.gz MGJFXFPZLAAORX-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[N@H+]1CCN(CCS(C)(=O)=O)[C@@H](C)C1 ZINC000796315464 586100525 /nfs/dbraw/zinc/10/05/25/586100525.db2.gz MGJFXFPZLAAORX-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO FCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796340772 586101278 /nfs/dbraw/zinc/10/12/78/586101278.db2.gz MJPXOSVZCDEFJR-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796340772 586101279 /nfs/dbraw/zinc/10/12/79/586101279.db2.gz MJPXOSVZCDEFJR-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO Cc1nccc(C[N@@H+]2CCC3(C2)OCCO3)n1 ZINC000796446413 586103284 /nfs/dbraw/zinc/10/32/84/586103284.db2.gz CFOODPVQAYXNRT-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1nccc(C[N@H+]2CCC3(C2)OCCO3)n1 ZINC000796446413 586103285 /nfs/dbraw/zinc/10/32/85/586103285.db2.gz CFOODPVQAYXNRT-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1Cc1c[nH+]c[nH]1 ZINC000796456902 586104222 /nfs/dbraw/zinc/10/42/22/586104222.db2.gz QVDQZUWSLACXKW-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1Cc1c[nH]c[nH+]1 ZINC000796456902 586104223 /nfs/dbraw/zinc/10/42/23/586104223.db2.gz QVDQZUWSLACXKW-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C1(CO)CC1 ZINC000796500456 586105566 /nfs/dbraw/zinc/10/55/66/586105566.db2.gz HVTNFKQUJSNNKI-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000796500456 586105567 /nfs/dbraw/zinc/10/55/67/586105567.db2.gz HVTNFKQUJSNNKI-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1cnccc1C ZINC000796511638 586105669 /nfs/dbraw/zinc/10/56/69/586105669.db2.gz ZADDJGMHNXFPGW-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1cnccc1C ZINC000796511638 586105670 /nfs/dbraw/zinc/10/56/70/586105670.db2.gz ZADDJGMHNXFPGW-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc[nH]1 ZINC000797858530 586133241 /nfs/dbraw/zinc/13/32/41/586133241.db2.gz SBKDRHYFZMJUSQ-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000798195003 586139323 /nfs/dbraw/zinc/13/93/23/586139323.db2.gz KUULXMRADSFZJJ-QFYYESIMSA-N 1 2 241.360 0.968 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000798195003 586139324 /nfs/dbraw/zinc/13/93/24/586139324.db2.gz KUULXMRADSFZJJ-QFYYESIMSA-N 1 2 241.360 0.968 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000798193430 586139385 /nfs/dbraw/zinc/13/93/85/586139385.db2.gz LOZQUSUVFKNZAO-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC(C)(C)C1 ZINC000798193430 586139386 /nfs/dbraw/zinc/13/93/86/586139386.db2.gz LOZQUSUVFKNZAO-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO O=C1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C(=O)N1 ZINC000799146550 586161542 /nfs/dbraw/zinc/16/15/42/586161542.db2.gz GVEZLIWRAAXBHB-SSDOTTSWSA-N 1 2 244.241 0.523 20 0 BCADLO C[N@H+](Cc1cnc(Cl)cn1)[C@H]1CCNC1=O ZINC000799145730 586162303 /nfs/dbraw/zinc/16/23/03/586162303.db2.gz JSCFDJUESZNJDO-QMMMGPOBSA-N 1 2 240.694 0.450 20 0 BCADLO C[N@@H+](Cc1cnc(Cl)cn1)[C@H]1CCNC1=O ZINC000799145730 586162304 /nfs/dbraw/zinc/16/23/04/586162304.db2.gz JSCFDJUESZNJDO-QMMMGPOBSA-N 1 2 240.694 0.450 20 0 BCADLO CON(C)C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000799160422 586162624 /nfs/dbraw/zinc/16/26/24/586162624.db2.gz QUSPYBQESVESER-UHFFFAOYSA-N 1 2 222.235 0.737 20 0 BCADLO CON(C)C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000799160422 586162625 /nfs/dbraw/zinc/16/26/25/586162625.db2.gz QUSPYBQESVESER-UHFFFAOYSA-N 1 2 222.235 0.737 20 0 BCADLO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnn(C)n1 ZINC000799308558 586171377 /nfs/dbraw/zinc/17/13/77/586171377.db2.gz NOCKWPUJMQVALD-JTQLQIEISA-N 1 2 241.295 0.032 20 0 BCADLO FCCn1ncnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000799310363 586171379 /nfs/dbraw/zinc/17/13/79/586171379.db2.gz GXZXSBXCHYXFBP-DTWKUNHWSA-N 1 2 210.256 0.842 20 0 BCADLO FCCn1ncnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000799310363 586171380 /nfs/dbraw/zinc/17/13/80/586171380.db2.gz GXZXSBXCHYXFBP-DTWKUNHWSA-N 1 2 210.256 0.842 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@H]1CCNC1=O ZINC000799353388 586173702 /nfs/dbraw/zinc/17/37/02/586173702.db2.gz NDKLOWRFEVDWRV-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CC)[C@H]1CCNC1=O ZINC000799353388 586173705 /nfs/dbraw/zinc/17/37/05/586173705.db2.gz NDKLOWRFEVDWRV-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO Cl/C=C/C[NH+]1CCN(c2nccnn2)CC1 ZINC000859406562 589035485 /nfs/dbraw/zinc/03/54/85/589035485.db2.gz QHOLWVSKFALIBX-OWOJBTEDSA-N 1 2 239.710 0.746 20 0 BCADLO C[C@H]1C[N@H+](CC[C@H]2CCOC2=O)CC(=O)N1C ZINC000800479605 586222359 /nfs/dbraw/zinc/22/23/59/586222359.db2.gz HIRXUUBVFATREA-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@H]2CCOC2=O)CC(=O)N1C ZINC000800479605 586222361 /nfs/dbraw/zinc/22/23/61/586222361.db2.gz HIRXUUBVFATREA-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCO[C@@H](C(F)F)C2)C1=O ZINC000801565347 586263306 /nfs/dbraw/zinc/26/33/06/586263306.db2.gz BQSMDEJUHYFKGF-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCO[C@@H](C(F)F)C2)C1=O ZINC000801565347 586263308 /nfs/dbraw/zinc/26/33/08/586263308.db2.gz BQSMDEJUHYFKGF-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@@H](C(F)F)C1 ZINC000801562869 586263732 /nfs/dbraw/zinc/26/37/32/586263732.db2.gz GZKIRMKYSQWHNR-SECBINFHSA-N 1 2 231.246 0.886 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801563753 586263825 /nfs/dbraw/zinc/26/38/25/586263825.db2.gz TZZHIYGFHZICJC-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CCNC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801563753 586263826 /nfs/dbraw/zinc/26/38/26/586263826.db2.gz TZZHIYGFHZICJC-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO FC(F)[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000801566265 586264090 /nfs/dbraw/zinc/26/40/90/586264090.db2.gz LRTYOFPJZNAUSG-SECBINFHSA-N 1 2 231.246 0.849 20 0 BCADLO FC(F)[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000801566265 586264092 /nfs/dbraw/zinc/26/40/92/586264092.db2.gz LRTYOFPJZNAUSG-SECBINFHSA-N 1 2 231.246 0.849 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568521 586264319 /nfs/dbraw/zinc/26/43/19/586264319.db2.gz ZVHUFKBZVSLHIO-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568521 586264320 /nfs/dbraw/zinc/26/43/20/586264320.db2.gz ZVHUFKBZVSLHIO-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944346 586281203 /nfs/dbraw/zinc/28/12/03/586281203.db2.gz UACOHMVBVRKIKF-NXEZZACHSA-N 1 2 237.299 0.993 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944346 586281205 /nfs/dbraw/zinc/28/12/05/586281205.db2.gz UACOHMVBVRKIKF-NXEZZACHSA-N 1 2 237.299 0.993 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801955354 586283711 /nfs/dbraw/zinc/28/37/11/586283711.db2.gz RFCAOPMBGYPHOQ-JTQLQIEISA-N 1 2 245.273 0.929 20 0 BCADLO Cn1nccc1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801955354 586283713 /nfs/dbraw/zinc/28/37/13/586283713.db2.gz RFCAOPMBGYPHOQ-JTQLQIEISA-N 1 2 245.273 0.929 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCOCC12CC2 ZINC000801981652 586285452 /nfs/dbraw/zinc/28/54/52/586285452.db2.gz ZHFLYWWUPLTWHO-KMKOMSMNSA-N 1 2 225.288 0.971 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCOCC12CC2 ZINC000801981652 586285455 /nfs/dbraw/zinc/28/54/55/586285455.db2.gz ZHFLYWWUPLTWHO-KMKOMSMNSA-N 1 2 225.288 0.971 20 0 BCADLO COC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000802210461 586295318 /nfs/dbraw/zinc/29/53/18/586295318.db2.gz IAURFZBPPBUAHE-SECBINFHSA-N 1 2 249.270 0.071 20 0 BCADLO COCC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC000802237808 586297271 /nfs/dbraw/zinc/29/72/71/586297271.db2.gz CYLYNNRQCPWIEN-SNVBAGLBSA-N 1 2 245.294 1.000 20 0 BCADLO COCC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802237808 586297272 /nfs/dbraw/zinc/29/72/72/586297272.db2.gz CYLYNNRQCPWIEN-SNVBAGLBSA-N 1 2 245.294 1.000 20 0 BCADLO CO[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802242566 586299340 /nfs/dbraw/zinc/29/93/40/586299340.db2.gz LRRLISHDOGJYKD-QWRGUYRKSA-N 1 2 245.294 0.998 20 0 BCADLO CO[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802242566 586299342 /nfs/dbraw/zinc/29/93/42/586299342.db2.gz LRRLISHDOGJYKD-QWRGUYRKSA-N 1 2 245.294 0.998 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000839960622 586300452 /nfs/dbraw/zinc/30/04/52/586300452.db2.gz QYFRINCVWFDINN-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000839960622 586300455 /nfs/dbraw/zinc/30/04/55/586300455.db2.gz QYFRINCVWFDINN-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO COCC[NH+](CCOC)CN1CC[C@H](C)C1=O ZINC000839961843 586302715 /nfs/dbraw/zinc/30/27/15/586302715.db2.gz YKIWUJYUIYADPM-NSHDSACASA-N 1 2 244.335 0.407 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)CC)C1 ZINC000802772541 586313202 /nfs/dbraw/zinc/31/32/02/586313202.db2.gz PBMYPBZQVMRZNN-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCOCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000802772229 586313428 /nfs/dbraw/zinc/31/34/28/586313428.db2.gz CJZZWMSFIJAQOB-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)c1cnn(C)n1 ZINC000802787608 586314104 /nfs/dbraw/zinc/31/41/04/586314104.db2.gz GXLWVNLVQOGECO-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO CCC[N@H+](CC)CN1C(=O)c2nccnc2C1=O ZINC000839983477 586323410 /nfs/dbraw/zinc/32/34/10/586323410.db2.gz QISHFQDREDHNEE-UHFFFAOYSA-N 1 2 248.286 0.762 20 0 BCADLO CCC[N@@H+](CC)CN1C(=O)c2nccnc2C1=O ZINC000839983477 586323413 /nfs/dbraw/zinc/32/34/13/586323413.db2.gz QISHFQDREDHNEE-UHFFFAOYSA-N 1 2 248.286 0.762 20 0 BCADLO CC(C)[C@H](C(=O)OCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000803492016 586360566 /nfs/dbraw/zinc/36/05/66/586360566.db2.gz ACHDKZUAKUOKIH-MRVPVSSYSA-N 1 2 242.279 0.140 20 0 BCADLO COCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495600 586362291 /nfs/dbraw/zinc/36/22/91/586362291.db2.gz RFZLJPXUJSVBLV-JTQLQIEISA-N 1 2 231.292 0.331 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[C@@H]21 ZINC000804293136 586387943 /nfs/dbraw/zinc/38/79/43/586387943.db2.gz DXVFEBZTZSCJMI-ZJUUUORDSA-N 1 2 205.261 0.894 20 0 BCADLO COC(=O)[C@@H]1CN(C[N@H+]2CC=CCC2)C(=O)O1 ZINC000840043987 586392816 /nfs/dbraw/zinc/39/28/16/586392816.db2.gz XDERFDRKNYYVRX-VIFPVBQESA-N 1 2 240.259 0.200 20 0 BCADLO COC(=O)[C@@H]1CN(C[N@@H+]2CC=CCC2)C(=O)O1 ZINC000840043987 586392819 /nfs/dbraw/zinc/39/28/19/586392819.db2.gz XDERFDRKNYYVRX-VIFPVBQESA-N 1 2 240.259 0.200 20 0 BCADLO CCc1nc(N2CCCNC(=O)C2)cc(C)[nH+]1 ZINC000804417718 586395540 /nfs/dbraw/zinc/39/55/40/586395540.db2.gz RJQMKXZZJOHIAO-UHFFFAOYSA-N 1 2 234.303 0.674 20 0 BCADLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000806168683 586406869 /nfs/dbraw/zinc/40/68/69/586406869.db2.gz XBODUEORLJZDPC-CABZTGNLSA-N 1 2 235.335 0.387 20 0 BCADLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000806168684 586407075 /nfs/dbraw/zinc/40/70/75/586407075.db2.gz XBODUEORLJZDPC-JOYOIKCWSA-N 1 2 235.335 0.387 20 0 BCADLO O=C(COCc1ccccn1)NCc1[nH]cc[nH+]1 ZINC000806839254 586419455 /nfs/dbraw/zinc/41/94/55/586419455.db2.gz ZXKJXIGPDJWJHK-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H](C)[C@H](C)C1=O ZINC000840083183 586423116 /nfs/dbraw/zinc/42/31/16/586423116.db2.gz JWTVJTMBSIWPKM-DCAQKATOSA-N 1 2 226.320 0.779 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H](C)[C@H](C)C1=O ZINC000840083183 586423118 /nfs/dbraw/zinc/42/31/18/586423118.db2.gz JWTVJTMBSIWPKM-DCAQKATOSA-N 1 2 226.320 0.779 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000807108346 586423942 /nfs/dbraw/zinc/42/39/42/586423942.db2.gz VFBBHIYZZNEQQS-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1COCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000807153449 586424796 /nfs/dbraw/zinc/42/47/96/586424796.db2.gz UWFGSTKBUIXIGU-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO CC[NH2+]Cc1noc(COC[C@H]2CCCO2)n1 ZINC000843145185 586444160 /nfs/dbraw/zinc/44/41/60/586444160.db2.gz GNKYWCCWMPHAMI-SECBINFHSA-N 1 2 241.291 0.875 20 0 BCADLO CC[NH2+]Cc1noc(COCCOCC)n1 ZINC000843145178 586444167 /nfs/dbraw/zinc/44/41/67/586444167.db2.gz GEVXFNQCPXWFDR-UHFFFAOYSA-N 1 2 229.280 0.732 20 0 BCADLO CC[NH2+]Cc1noc([C@@H](C)NC(=O)CC)n1 ZINC000843145467 586445213 /nfs/dbraw/zinc/44/52/13/586445213.db2.gz MQRGJTKCIMBCEP-SSDOTTSWSA-N 1 2 226.280 0.766 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808165440 586465788 /nfs/dbraw/zinc/46/57/88/586465788.db2.gz DDQIFPBQTWLLPI-DTWKUNHWSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808165440 586465791 /nfs/dbraw/zinc/46/57/91/586465791.db2.gz DDQIFPBQTWLLPI-DTWKUNHWSA-N 1 2 237.307 0.463 20 0 BCADLO O=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nnn1C1CC1 ZINC000808174027 586466711 /nfs/dbraw/zinc/46/67/11/586466711.db2.gz HJFDCLLTWFJQJU-JTQLQIEISA-N 1 2 249.318 0.464 20 0 BCADLO O=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nnn1C1CC1 ZINC000808174027 586466712 /nfs/dbraw/zinc/46/67/12/586466712.db2.gz HJFDCLLTWFJQJU-JTQLQIEISA-N 1 2 249.318 0.464 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000808385390 586470394 /nfs/dbraw/zinc/47/03/94/586470394.db2.gz PKXYDXBXHRCJOA-ZJUUUORDSA-N 1 2 238.335 0.813 20 0 BCADLO CC(F)(F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000808466861 586475174 /nfs/dbraw/zinc/47/51/74/586475174.db2.gz OXYNDGQOPBCTJW-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO CNC(=O)N1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808737080 586486123 /nfs/dbraw/zinc/48/61/23/586486123.db2.gz IVYDLVKWIXSUOK-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO OC[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000808752047 586488156 /nfs/dbraw/zinc/48/81/56/586488156.db2.gz VOTIGOYHHAPYPS-ROAAPQQCSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000808752047 586488157 /nfs/dbraw/zinc/48/81/57/586488157.db2.gz VOTIGOYHHAPYPS-ROAAPQQCSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C[C@H]1O ZINC000808752048 586488171 /nfs/dbraw/zinc/48/81/71/586488171.db2.gz VOTIGOYHHAPYPS-SEGKZLOCSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C[C@H]1O ZINC000808752048 586488172 /nfs/dbraw/zinc/48/81/72/586488172.db2.gz VOTIGOYHHAPYPS-SEGKZLOCSA-N 1 2 240.130 0.981 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000808757889 586488725 /nfs/dbraw/zinc/48/87/25/586488725.db2.gz UVSVUTBQQCJFFJ-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000808757889 586488726 /nfs/dbraw/zinc/48/87/26/586488726.db2.gz UVSVUTBQQCJFFJ-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000808757890 586489234 /nfs/dbraw/zinc/48/92/34/586489234.db2.gz UVSVUTBQQCJFFJ-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000808757890 586489236 /nfs/dbraw/zinc/48/92/36/586489236.db2.gz UVSVUTBQQCJFFJ-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C1 ZINC000840169044 586503504 /nfs/dbraw/zinc/50/35/04/586503504.db2.gz UKGLCCWTTYQMDT-GUBZILKMSA-N 1 2 242.344 0.381 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 ZINC000840169044 586503505 /nfs/dbraw/zinc/50/35/05/586503505.db2.gz UKGLCCWTTYQMDT-GUBZILKMSA-N 1 2 242.344 0.381 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C1 ZINC000840169043 586503565 /nfs/dbraw/zinc/50/35/65/586503565.db2.gz UKGLCCWTTYQMDT-AEJSXWLSSA-N 1 2 242.344 0.381 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 ZINC000840169043 586503567 /nfs/dbraw/zinc/50/35/67/586503567.db2.gz UKGLCCWTTYQMDT-AEJSXWLSSA-N 1 2 242.344 0.381 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1c(C)cnn1C ZINC000809546045 586506703 /nfs/dbraw/zinc/50/67/03/586506703.db2.gz WMBAYKMAFLTBDM-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1c(C)cnn1C ZINC000809546045 586506705 /nfs/dbraw/zinc/50/67/05/586506705.db2.gz WMBAYKMAFLTBDM-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000809763796 586518896 /nfs/dbraw/zinc/51/88/96/586518896.db2.gz DKWAWIBAFFCQDZ-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cncnc1 ZINC000809763796 586518897 /nfs/dbraw/zinc/51/88/97/586518897.db2.gz DKWAWIBAFFCQDZ-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1cnn(C)n1 ZINC000809947257 586524889 /nfs/dbraw/zinc/52/48/89/586524889.db2.gz BJDOFVDFYKPVTL-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1cnn(C)n1 ZINC000809947257 586524890 /nfs/dbraw/zinc/52/48/90/586524890.db2.gz BJDOFVDFYKPVTL-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncc(C[N@@H+]2CCCSCC2)n1 ZINC000809967607 586527117 /nfs/dbraw/zinc/52/71/17/586527117.db2.gz CWGCLLUDJHTLES-UHFFFAOYSA-N 1 2 212.322 0.754 20 0 BCADLO Cn1ncc(C[N@H+]2CCCSCC2)n1 ZINC000809967607 586527118 /nfs/dbraw/zinc/52/71/18/586527118.db2.gz CWGCLLUDJHTLES-UHFFFAOYSA-N 1 2 212.322 0.754 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000809968474 586527144 /nfs/dbraw/zinc/52/71/44/586527144.db2.gz DJFMBBKIPIALSQ-LLVKDONJSA-N 1 2 249.318 0.012 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000809968474 586527145 /nfs/dbraw/zinc/52/71/45/586527145.db2.gz DJFMBBKIPIALSQ-LLVKDONJSA-N 1 2 249.318 0.012 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000809997635 586530182 /nfs/dbraw/zinc/53/01/82/586530182.db2.gz AWMKCEOMXDYEDI-UHFFFAOYSA-N 1 2 236.275 0.211 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000810015905 586531270 /nfs/dbraw/zinc/53/12/70/586531270.db2.gz SUCVUHZGPPLUKQ-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000810015905 586531272 /nfs/dbraw/zinc/53/12/72/586531272.db2.gz SUCVUHZGPPLUKQ-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@]1([NH2+]CCO[C@@H]2CCCCO2)CCOC1=O ZINC000810094706 586533596 /nfs/dbraw/zinc/53/35/96/586533596.db2.gz ZCIHTJNUSLLKNI-ZYHUDNBSSA-N 1 2 243.303 0.825 20 0 BCADLO C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C ZINC000810091546 586533827 /nfs/dbraw/zinc/53/38/27/586533827.db2.gz AKBOAEPUEMSTEU-WDSKDSINSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000810091546 586533829 /nfs/dbraw/zinc/53/38/29/586533829.db2.gz AKBOAEPUEMSTEU-WDSKDSINSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@]1([NH2+]CCCN2CCCC2=O)CCOC1=O ZINC000810095110 586533878 /nfs/dbraw/zinc/53/38/78/586533878.db2.gz HXYMOJTWEGUAIV-LBPRGKRZSA-N 1 2 240.303 0.294 20 0 BCADLO Cc1noc(CCC[NH2+][C@@]2(C)CCOC2=O)n1 ZINC000810098216 586534180 /nfs/dbraw/zinc/53/41/80/586534180.db2.gz PCYPUCUWDZPMJA-NSHDSACASA-N 1 2 239.275 0.606 20 0 BCADLO Cc1noc(CCC[NH2+][C@]2(C)CCOC2=O)n1 ZINC000810098208 586534445 /nfs/dbraw/zinc/53/44/45/586534445.db2.gz PCYPUCUWDZPMJA-LLVKDONJSA-N 1 2 239.275 0.606 20 0 BCADLO O=C(NOCCO)Nc1ccn2cc[nH+]c2c1 ZINC000810228374 586537488 /nfs/dbraw/zinc/53/74/88/586537488.db2.gz SSCQOMNZCQISNH-UHFFFAOYSA-N 1 2 236.231 0.380 20 0 BCADLO CCc1c(C(=O)NCc2c[nH+]cn2C)cnn1C ZINC000810755248 586546599 /nfs/dbraw/zinc/54/65/99/586546599.db2.gz SKSYBPWMWKSYCU-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO Cc1c(C(=O)NCc2c[nH+]cn2C)ccn1C ZINC000811589274 586561916 /nfs/dbraw/zinc/56/19/16/586561916.db2.gz PEXKJBXKEHQJBO-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO Cn1ccnc1C(=O)NCc1c[nH+]cn1C ZINC000811805653 586566863 /nfs/dbraw/zinc/56/68/63/586566863.db2.gz QAFPKIJSCGRVQB-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CCON(C)C(=O)NCc1c[nH+]cn1C ZINC000812487518 586578122 /nfs/dbraw/zinc/57/81/22/586578122.db2.gz BOGPKXDRUUECES-UHFFFAOYSA-N 1 2 212.253 0.513 20 0 BCADLO C[S@](=O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000840263213 586583240 /nfs/dbraw/zinc/58/32/40/586583240.db2.gz GBWCIWOQBRTLGO-INIZCTEOSA-N 1 2 240.332 0.841 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOC1CCC1 ZINC000812791745 586585315 /nfs/dbraw/zinc/58/53/15/586585315.db2.gz VYKBFTXRUNBASE-UHFFFAOYSA-N 1 2 209.249 0.874 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000812878911 586588274 /nfs/dbraw/zinc/58/82/74/586588274.db2.gz JWWOIYHYPFMPQY-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000812878911 586588275 /nfs/dbraw/zinc/58/82/75/586588275.db2.gz JWWOIYHYPFMPQY-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccon1 ZINC000812867866 586588284 /nfs/dbraw/zinc/58/82/84/586588284.db2.gz FQGZNXOVWODCOU-QMMMGPOBSA-N 1 2 239.275 0.458 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1ccon1 ZINC000812867866 586588285 /nfs/dbraw/zinc/58/82/85/586588285.db2.gz FQGZNXOVWODCOU-QMMMGPOBSA-N 1 2 239.275 0.458 20 0 BCADLO CC[N@H+](CCS(=O)(=O)CC)[C@H]1CCOC1 ZINC000812878811 586588459 /nfs/dbraw/zinc/58/84/59/586588459.db2.gz IBFUVQFSIOKSJQ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[N@@H+](CCS(=O)(=O)CC)[C@H]1CCOC1 ZINC000812878811 586588460 /nfs/dbraw/zinc/58/84/60/586588460.db2.gz IBFUVQFSIOKSJQ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCOC(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815154884 586670823 /nfs/dbraw/zinc/67/08/23/586670823.db2.gz VWCAWQXSOWPXIL-UHFFFAOYSA-N 1 2 243.303 0.779 20 0 BCADLO CCn1ncc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000815429462 586684347 /nfs/dbraw/zinc/68/43/47/586684347.db2.gz YELMYDHHYFNTPZ-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO O=C(CCCn1cc[nH+]c1)Nc1cn[nH]n1 ZINC000816318575 586717433 /nfs/dbraw/zinc/71/74/33/586717433.db2.gz XVWIZKLBIUGKJA-UHFFFAOYSA-N 1 2 220.236 0.420 20 0 BCADLO O=C(CCCn1cc[nH+]c1)Nc1c[nH]nn1 ZINC000816318575 586717434 /nfs/dbraw/zinc/71/74/34/586717434.db2.gz XVWIZKLBIUGKJA-UHFFFAOYSA-N 1 2 220.236 0.420 20 0 BCADLO CC(=O)C1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000816643162 586748333 /nfs/dbraw/zinc/74/83/33/586748333.db2.gz WTWVTNKOAGEYLM-SNVBAGLBSA-N 1 2 247.298 0.683 20 0 BCADLO CC(=O)OC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719249 586760004 /nfs/dbraw/zinc/76/00/04/586760004.db2.gz UQDWCMLZKVBEGG-SSDOTTSWSA-N 1 2 239.275 0.929 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000816858562 586768610 /nfs/dbraw/zinc/76/86/10/586768610.db2.gz RZUSZYHJNNIJRE-RKDXNWHRSA-N 1 2 223.276 0.588 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000816858560 586768565 /nfs/dbraw/zinc/76/85/65/586768565.db2.gz RZUSZYHJNNIJRE-DTWKUNHWSA-N 1 2 223.276 0.588 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816905923 586770350 /nfs/dbraw/zinc/77/03/50/586770350.db2.gz SHWSPKVMQGGWQX-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000816905380 586770822 /nfs/dbraw/zinc/77/08/22/586770822.db2.gz ZHVCBGIORXEXBK-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000816921707 586771324 /nfs/dbraw/zinc/77/13/24/586771324.db2.gz FDWCKUSWXOLKTK-JTQLQIEISA-N 1 2 239.275 0.266 20 0 BCADLO Cc1cccnc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816918757 586771481 /nfs/dbraw/zinc/77/14/81/586771481.db2.gz NFGURKAQRJMZJR-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@](O)(CNC(=O)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000816936673 586771723 /nfs/dbraw/zinc/77/17/23/586771723.db2.gz OUVGKPVOJLEHQS-LBPRGKRZSA-N 1 2 249.270 0.569 20 0 BCADLO CC[C@@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816930415 586771732 /nfs/dbraw/zinc/77/17/32/586771732.db2.gz AEJYGXBKGYNMJU-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CC[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816937452 586772196 /nfs/dbraw/zinc/77/21/96/586772196.db2.gz DDRXGNIFQCIVJA-SNVBAGLBSA-N 1 2 211.265 0.229 20 0 BCADLO CN(CCOCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816946910 586772507 /nfs/dbraw/zinc/77/25/07/586772507.db2.gz ZWCTUWFFSQBDCK-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO Cc1c[nH]c(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816947429 586772748 /nfs/dbraw/zinc/77/27/48/586772748.db2.gz QREJSXPMLNTYSL-UHFFFAOYSA-N 1 2 205.221 0.622 20 0 BCADLO CC(C)(C)C[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816963317 586775021 /nfs/dbraw/zinc/77/50/21/586775021.db2.gz GCVZMSGLWYAWKO-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO CON(C)C(=O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000817127134 586783405 /nfs/dbraw/zinc/78/34/05/586783405.db2.gz CAHRXWVXRDMOQA-UHFFFAOYSA-N 1 2 249.274 0.698 20 0 BCADLO COC1CC(C(=O)OCCc2c[nH+]cn2C)C1 ZINC000859849369 589066530 /nfs/dbraw/zinc/06/65/30/589066530.db2.gz LNUIRGMOUOPSQH-UHFFFAOYSA-N 1 2 238.287 0.931 20 0 BCADLO CO[C@@H](CO[NH+]=C(N)[C@H](C)OC)C1CC1 ZINC000818079337 586870264 /nfs/dbraw/zinc/87/02/64/586870264.db2.gz RXDASGPSRCNWQO-CBAPKCEASA-N 1 2 216.281 0.945 20 0 BCADLO CCn1nc(C)c(CNCc2[nH]cc[nH+]2)n1 ZINC000818219683 586879334 /nfs/dbraw/zinc/87/93/34/586879334.db2.gz CIDBFDVMPPDSBT-UHFFFAOYSA-N 1 2 220.280 0.619 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273106 586945784 /nfs/dbraw/zinc/94/57/84/586945784.db2.gz NMGYHUAHFKRNNQ-NWALNABHSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273106 586945785 /nfs/dbraw/zinc/94/57/85/586945785.db2.gz NMGYHUAHFKRNNQ-NWALNABHSA-N 1 2 221.260 0.761 20 0 BCADLO CC[C@@H](C)CONC[C@@H](O)C[NH+]1CCOCC1 ZINC000819328464 586952816 /nfs/dbraw/zinc/95/28/16/586952816.db2.gz MWRAGQJYRXDGKS-VXGBXAGGSA-N 1 2 246.351 0.247 20 0 BCADLO CON(C)C(=O)CC[NH2+][C@@H](C)c1csnn1 ZINC000819367238 586957418 /nfs/dbraw/zinc/95/74/18/586957418.db2.gz FZYKBDDTLWEWET-ZETCQYMHSA-N 1 2 244.320 0.599 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)c1nccn1C ZINC000819519361 586972507 /nfs/dbraw/zinc/97/25/07/586972507.db2.gz TYRWCYVIPQGORP-UHFFFAOYSA-N 1 2 233.275 0.670 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000820080079 587019190 /nfs/dbraw/zinc/01/91/90/587019190.db2.gz XDVQKEMMLJXKHK-MWLCHTKSSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000820080079 587019193 /nfs/dbraw/zinc/01/91/93/587019193.db2.gz XDVQKEMMLJXKHK-MWLCHTKSSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000820079768 587019292 /nfs/dbraw/zinc/01/92/92/587019292.db2.gz VFMNTUAUEJSKJE-RKDXNWHRSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000820079768 587019294 /nfs/dbraw/zinc/01/92/94/587019294.db2.gz VFMNTUAUEJSKJE-RKDXNWHRSA-N 1 2 200.282 0.533 20 0 BCADLO C=C=CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000820193746 587033855 /nfs/dbraw/zinc/03/38/55/587033855.db2.gz LGZUIEPYYLYJCK-UHFFFAOYSA-N 1 2 224.304 0.555 20 0 BCADLO C[C@@H](CF)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820427215 587048217 /nfs/dbraw/zinc/04/82/17/587048217.db2.gz CTRCUPTUJFXZSS-VEMNSZJBSA-N 1 2 211.240 0.908 20 0 BCADLO Cc1cnc(NC[C@H](O)C[NH+]2CCOCC2)o1 ZINC000820610608 587058617 /nfs/dbraw/zinc/05/86/17/587058617.db2.gz OTBDJMGFHRZZKA-JTQLQIEISA-N 1 2 241.291 0.088 20 0 BCADLO CO[C@H](CNC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000820670676 587064975 /nfs/dbraw/zinc/06/49/75/587064975.db2.gz LISKTIYITMWXFJ-BTDICHCPSA-N 1 2 249.314 0.975 20 0 BCADLO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)on1 ZINC000820805295 587073748 /nfs/dbraw/zinc/07/37/48/587073748.db2.gz IAJBHEWQSSXKOU-QMMMGPOBSA-N 1 2 241.291 0.858 20 0 BCADLO CCOC1CN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000820828137 587075163 /nfs/dbraw/zinc/07/51/63/587075163.db2.gz WPEXVSMRYPGOLV-PLNGDYQASA-N 1 2 235.287 0.681 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1cc(=O)cc[nH]1 ZINC000820947725 587083680 /nfs/dbraw/zinc/08/36/80/587083680.db2.gz HVRZBQYLUOTPMK-SECBINFHSA-N 1 2 244.254 0.446 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820948028 587084122 /nfs/dbraw/zinc/08/41/22/587084122.db2.gz MXBWQKPCDDYKTN-BDAKNGLRSA-N 1 2 223.276 0.605 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)s1 ZINC000860163967 589084898 /nfs/dbraw/zinc/08/48/98/589084898.db2.gz CQHVPBPWTCLBPX-HTQZYQBOSA-N 1 2 239.300 0.451 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)s1 ZINC000860163967 589084899 /nfs/dbraw/zinc/08/48/99/589084899.db2.gz CQHVPBPWTCLBPX-HTQZYQBOSA-N 1 2 239.300 0.451 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860168822 589085462 /nfs/dbraw/zinc/08/54/62/589085462.db2.gz ZTTDUHXOWNGOEW-FTLITQJKSA-N 1 2 236.275 0.279 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860168822 589085463 /nfs/dbraw/zinc/08/54/63/589085463.db2.gz ZTTDUHXOWNGOEW-FTLITQJKSA-N 1 2 236.275 0.279 20 0 BCADLO Cc1nc(C[N@@H+]2CCCN(C=O)CC2)oc1C ZINC000821287680 587105147 /nfs/dbraw/zinc/10/51/47/587105147.db2.gz IUHSAWPZOHIPPD-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCCN(C=O)CC2)oc1C ZINC000821287680 587105149 /nfs/dbraw/zinc/10/51/49/587105149.db2.gz IUHSAWPZOHIPPD-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO CCCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000821358993 587111685 /nfs/dbraw/zinc/11/16/85/587111685.db2.gz IEZRWTVLEZEACW-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO CC1=NO[C@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000821370020 587113195 /nfs/dbraw/zinc/11/31/95/587113195.db2.gz ODKQDACEXMYEEH-BYCRGOAPSA-N 1 2 248.286 0.714 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385926 587115454 /nfs/dbraw/zinc/11/54/54/587115454.db2.gz PQZNZUDHIYRMFR-WCQGTBRESA-N 1 2 249.314 0.739 20 0 BCADLO COC(=O)C1([NH2+]C[C@H]2CCC(=O)O2)CCCC1 ZINC000821396357 587116505 /nfs/dbraw/zinc/11/65/05/587116505.db2.gz LBZIGDIJOXLGSF-SECBINFHSA-N 1 2 241.287 0.767 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821497802 587122796 /nfs/dbraw/zinc/12/27/96/587122796.db2.gz OZXQPHMQHUFXJR-FXPVBKGRSA-N 1 2 235.287 0.400 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821497802 587122798 /nfs/dbraw/zinc/12/27/98/587122798.db2.gz OZXQPHMQHUFXJR-FXPVBKGRSA-N 1 2 235.287 0.400 20 0 BCADLO CCCCN(CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC000821940942 587147618 /nfs/dbraw/zinc/14/76/18/587147618.db2.gz VIKNWLYQXRWVFU-UHFFFAOYSA-N 1 2 238.291 0.066 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(NCC(C)(C)O)[nH+]1 ZINC000822214941 587158384 /nfs/dbraw/zinc/15/83/84/587158384.db2.gz FHFQODWFJSZIJW-UHFFFAOYSA-N 1 2 248.290 0.753 20 0 BCADLO COC[C@]1(C)C[N@H+](CCOC(F)F)CCO1 ZINC000860201231 589089390 /nfs/dbraw/zinc/08/93/90/589089390.db2.gz JJMPSEXQKJUTHS-JTQLQIEISA-N 1 2 239.262 0.963 20 0 BCADLO COC[C@]1(C)C[N@@H+](CCOC(F)F)CCO1 ZINC000860201231 589089392 /nfs/dbraw/zinc/08/93/92/589089392.db2.gz JJMPSEXQKJUTHS-JTQLQIEISA-N 1 2 239.262 0.963 20 0 BCADLO COC[C@]1(C)C[N@H+](CC[S@@](C)=O)CCO1 ZINC000860202655 589089418 /nfs/dbraw/zinc/08/94/18/589089418.db2.gz PCECEGGAGHGNBN-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000860202655 589089421 /nfs/dbraw/zinc/08/94/21/589089421.db2.gz PCECEGGAGHGNBN-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 ZINC000822846116 587189184 /nfs/dbraw/zinc/18/91/84/587189184.db2.gz YMEFTFPRIIWEKJ-XVMARJQXSA-N 1 2 225.248 0.756 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823067722 587200420 /nfs/dbraw/zinc/20/04/20/587200420.db2.gz NOFQANXMFQNIHK-KKZNHRDASA-N 1 2 249.314 0.885 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823067722 587200421 /nfs/dbraw/zinc/20/04/21/587200421.db2.gz NOFQANXMFQNIHK-KKZNHRDASA-N 1 2 249.314 0.885 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000823492004 587226645 /nfs/dbraw/zinc/22/66/45/587226645.db2.gz FKFORVYXYCJWER-JTQLQIEISA-N 1 2 240.303 0.451 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000823492004 587226647 /nfs/dbraw/zinc/22/66/47/587226647.db2.gz FKFORVYXYCJWER-JTQLQIEISA-N 1 2 240.303 0.451 20 0 BCADLO CCO[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823651334 587234645 /nfs/dbraw/zinc/23/46/45/587234645.db2.gz FVAPVYPFVZWUKO-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO COC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823850740 587242554 /nfs/dbraw/zinc/24/25/54/587242554.db2.gz TZBUPLKBANQTKL-QMMMGPOBSA-N 1 2 211.265 0.351 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000823926296 587246082 /nfs/dbraw/zinc/24/60/82/587246082.db2.gz IVYRQXQCEWKOPY-OKESPHGKSA-N 1 2 247.298 0.869 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C2CC(O)C2)n1 ZINC000824168901 587259079 /nfs/dbraw/zinc/25/90/79/587259079.db2.gz YMESJSQHCWIBSK-UHFFFAOYSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C2CC(O)C2)n1 ZINC000824168901 587259080 /nfs/dbraw/zinc/25/90/80/587259080.db2.gz YMESJSQHCWIBSK-UHFFFAOYSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1nc(C)c(C[N@H+](CCO)C2CCC2)n1 ZINC000824241818 587262884 /nfs/dbraw/zinc/26/28/84/587262884.db2.gz BWAGDGFLPGXPML-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CCO)C2CCC2)n1 ZINC000824241818 587262886 /nfs/dbraw/zinc/26/28/86/587262886.db2.gz BWAGDGFLPGXPML-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@H+](CC)[C@H](C)CO)n1 ZINC000824423104 587269890 /nfs/dbraw/zinc/26/98/90/587269890.db2.gz LRYOQUQFBYTOSP-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CC)[C@H](C)CO)n1 ZINC000824423104 587269891 /nfs/dbraw/zinc/26/98/91/587269891.db2.gz LRYOQUQFBYTOSP-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCN1C=O ZINC000824895357 587292668 /nfs/dbraw/zinc/29/26/68/587292668.db2.gz VENDPICUAVBWKJ-SNVBAGLBSA-N 1 2 249.270 0.650 20 0 BCADLO C[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1(CO)CC1 ZINC000825009415 587298509 /nfs/dbraw/zinc/29/85/09/587298509.db2.gz IFRWQANDDGELNF-HMDXOVGESA-N 1 2 249.314 0.711 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn(C)c2Cl)C[C@H]1O ZINC000825024895 587298863 /nfs/dbraw/zinc/29/88/63/587298863.db2.gz WGIKUJZJLHWKSQ-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)c2Cl)C[C@H]1O ZINC000825024895 587298865 /nfs/dbraw/zinc/29/88/65/587298865.db2.gz WGIKUJZJLHWKSQ-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO O=C(COC(F)(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC000825512985 587322816 /nfs/dbraw/zinc/32/28/16/587322816.db2.gz NNICOCGQLFLXBS-ZCFIWIBFSA-N 1 2 249.192 0.981 20 0 BCADLO C[C@@H](NC(=O)c1cc(=O)cc[nH]1)c1[nH+]ccn1C ZINC000825539786 587324362 /nfs/dbraw/zinc/32/43/62/587324362.db2.gz NCZPWJNOKYETKZ-MRVPVSSYSA-N 1 2 246.270 0.599 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000825545892 587324459 /nfs/dbraw/zinc/32/44/59/587324459.db2.gz YUHGPKKLEVPINA-IUCAKERBSA-N 1 2 225.292 0.758 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825545891 587324609 /nfs/dbraw/zinc/32/46/09/587324609.db2.gz YUHGPKKLEVPINA-BDAKNGLRSA-N 1 2 225.292 0.758 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852698 587341484 /nfs/dbraw/zinc/34/14/84/587341484.db2.gz PUJLMEKQCRJIEK-RKDXNWHRSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852698 587341486 /nfs/dbraw/zinc/34/14/86/587341486.db2.gz PUJLMEKQCRJIEK-RKDXNWHRSA-N 1 2 227.308 0.469 20 0 BCADLO Cc1[nH]nc(NC(=O)Cc2[nH]cc[nH+]2)c1C ZINC000825857107 587341828 /nfs/dbraw/zinc/34/18/28/587341828.db2.gz AGYYDQFPQKVSOT-UHFFFAOYSA-N 1 2 219.248 0.931 20 0 BCADLO Cc1nonc1C[NH2+]Cc1cnn2c1CCC2 ZINC000825922628 587345520 /nfs/dbraw/zinc/34/55/20/587345520.db2.gz UJCHKYXOKMQZCJ-UHFFFAOYSA-N 1 2 233.275 0.811 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050108 587349242 /nfs/dbraw/zinc/34/92/42/587349242.db2.gz RUOHITZMABFFBG-RKDXNWHRSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050108 587349243 /nfs/dbraw/zinc/34/92/43/587349243.db2.gz RUOHITZMABFFBG-RKDXNWHRSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CNC(=O)[O-])C1CC1 ZINC000826049626 587349543 /nfs/dbraw/zinc/34/95/43/587349543.db2.gz NPBZVNAZRQPIRQ-IEBDPFPHSA-N 1 2 241.335 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CNC(=O)[O-])C1CC1 ZINC000826049626 587349544 /nfs/dbraw/zinc/34/95/44/587349544.db2.gz NPBZVNAZRQPIRQ-IEBDPFPHSA-N 1 2 241.335 0.572 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000826142957 587351164 /nfs/dbraw/zinc/35/11/64/587351164.db2.gz PDJVJRPVHRRJME-UTLUCORTSA-N 1 2 212.293 0.832 20 0 BCADLO COC1CN(c2[nH+]ccc(C)c2-c2nn[nH]n2)C1 ZINC000826146826 587351216 /nfs/dbraw/zinc/35/12/16/587351216.db2.gz FHZHLBKZYMLMGE-UHFFFAOYSA-N 1 2 246.274 0.405 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000826142956 587351265 /nfs/dbraw/zinc/35/12/65/587351265.db2.gz PDJVJRPVHRRJME-KXUCPTDWSA-N 1 2 212.293 0.832 20 0 BCADLO Cc1cc[nH+]c(N[C@@H](C)CCO)c1-c1nn[nH]n1 ZINC000826311785 587352108 /nfs/dbraw/zinc/35/21/08/587352108.db2.gz NJFWHNKQTIXPMU-QMMMGPOBSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(N[C@H](C)CCO)c1-c1nn[nH]n1 ZINC000826311784 587352154 /nfs/dbraw/zinc/35/21/54/587352154.db2.gz NJFWHNKQTIXPMU-MRVPVSSYSA-N 1 2 248.290 0.753 20 0 BCADLO CCN(OC)C(=O)CNc1cccc[nH+]1 ZINC000826755943 587361092 /nfs/dbraw/zinc/36/10/92/587361092.db2.gz FUTWOYDTYWTKAV-UHFFFAOYSA-N 1 2 209.249 0.903 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N1CC2CC1(c1[nH]cc[nH+]1)C2 ZINC000826965187 587366819 /nfs/dbraw/zinc/36/68/19/587366819.db2.gz OPLXAFGEOFKUET-LIVJGEBJSA-N 1 2 247.298 0.892 20 0 BCADLO CC[NH+](CC)C[C@H]1CC[N@H+](CCNC(=O)[O-])C1 ZINC000827040315 587368687 /nfs/dbraw/zinc/36/86/87/587368687.db2.gz RCPOPQYGUATZAE-LLVKDONJSA-N 1 2 243.351 0.918 20 0 BCADLO CC[NH+](CC)C[C@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000827040315 587368688 /nfs/dbraw/zinc/36/86/88/587368688.db2.gz RCPOPQYGUATZAE-LLVKDONJSA-N 1 2 243.351 0.918 20 0 BCADLO CCN(CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827130393 587370813 /nfs/dbraw/zinc/37/08/13/587370813.db2.gz VPLVTFIFFNOUMF-QWRGUYRKSA-N 1 2 243.351 0.916 20 0 BCADLO CCN(CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827130393 587370814 /nfs/dbraw/zinc/37/08/14/587370814.db2.gz VPLVTFIFFNOUMF-QWRGUYRKSA-N 1 2 243.351 0.916 20 0 BCADLO CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214798 587373089 /nfs/dbraw/zinc/37/30/89/587373089.db2.gz JAKWYFHJMHMIGA-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214798 587373090 /nfs/dbraw/zinc/37/30/90/587373090.db2.gz JAKWYFHJMHMIGA-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCCN2C=O)cc[nH+]1 ZINC000827388801 587379342 /nfs/dbraw/zinc/37/93/42/587379342.db2.gz IRKWENPSVNAYGF-NSHDSACASA-N 1 2 233.271 0.371 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1[nH]cc(C)[nH+]1 ZINC000827582603 587389810 /nfs/dbraw/zinc/38/98/10/587389810.db2.gz QKDMGIBPZVCIEO-SNVBAGLBSA-N 1 2 211.265 0.495 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827680631 587395895 /nfs/dbraw/zinc/39/58/95/587395895.db2.gz VALGYDYBWYURQB-PJAPWPDISA-N 1 2 235.287 0.727 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000827876720 587407159 /nfs/dbraw/zinc/40/71/59/587407159.db2.gz BVOBEPFIQZGMFX-UHFFFAOYSA-N 1 2 247.306 0.283 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000827876720 587407160 /nfs/dbraw/zinc/40/71/60/587407160.db2.gz BVOBEPFIQZGMFX-UHFFFAOYSA-N 1 2 247.306 0.283 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CC[C@@H](C)O)CCO1 ZINC000827877204 587407304 /nfs/dbraw/zinc/40/73/04/587407304.db2.gz DSLJKKNVFDKLJG-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CC[C@@H](C)O)CCO1 ZINC000827877204 587407305 /nfs/dbraw/zinc/40/73/05/587407305.db2.gz DSLJKKNVFDKLJG-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO C1=CO[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)CC1 ZINC000827885078 587407555 /nfs/dbraw/zinc/40/75/55/587407555.db2.gz PTQJMFOZKIUKHV-SECBINFHSA-N 1 2 220.276 0.856 20 0 BCADLO C1=CO[C@@H](C[N@H+]2CCc3nn[nH]c3C2)CC1 ZINC000827885078 587407557 /nfs/dbraw/zinc/40/75/57/587407557.db2.gz PTQJMFOZKIUKHV-SECBINFHSA-N 1 2 220.276 0.856 20 0 BCADLO C[C@@H]1OCC[N@H+](CC[S@@](C)=O)[C@H]1C ZINC000828011503 587416140 /nfs/dbraw/zinc/41/61/40/587416140.db2.gz JOXVUVFVOWTRTE-MWODSPESSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC[S@@](C)=O)[C@H]1C ZINC000828011503 587416142 /nfs/dbraw/zinc/41/61/42/587416142.db2.gz JOXVUVFVOWTRTE-MWODSPESSA-N 1 2 205.323 0.474 20 0 BCADLO CC[N@@H+]1CCN(CC[S@@](C)=O)C[C@H]1C ZINC000828094638 587419257 /nfs/dbraw/zinc/41/92/57/587419257.db2.gz XUMPIKLBNFEYFN-QMTHXVAHSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@@](C)=O)C[C@H]1C ZINC000828094638 587419258 /nfs/dbraw/zinc/41/92/58/587419258.db2.gz XUMPIKLBNFEYFN-QMTHXVAHSA-N 1 2 218.366 0.391 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000828127680 587420535 /nfs/dbraw/zinc/42/05/35/587420535.db2.gz TVAGZBKMMWNFHC-PSLIRLAXSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000828127680 587420536 /nfs/dbraw/zinc/42/05/36/587420536.db2.gz TVAGZBKMMWNFHC-PSLIRLAXSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000828127680 587420537 /nfs/dbraw/zinc/42/05/37/587420537.db2.gz TVAGZBKMMWNFHC-PSLIRLAXSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000828440656 587442371 /nfs/dbraw/zinc/44/23/71/587442371.db2.gz UEJCVARTFHPXTK-BMIGLBTASA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000828440656 587442373 /nfs/dbraw/zinc/44/23/73/587442373.db2.gz UEJCVARTFHPXTK-BMIGLBTASA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000828440661 587442487 /nfs/dbraw/zinc/44/24/87/587442487.db2.gz UEJCVARTFHPXTK-ZUZCIYMTSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000828440661 587442488 /nfs/dbraw/zinc/44/24/88/587442488.db2.gz UEJCVARTFHPXTK-ZUZCIYMTSA-N 1 2 227.333 0.925 20 0 BCADLO Cc1ccc(C[N@H+](CCO)CC[S@@](C)=O)o1 ZINC000828457584 587443649 /nfs/dbraw/zinc/44/36/49/587443649.db2.gz VFSKDAIMAWMBOW-MRXNPFEDSA-N 1 2 245.344 0.761 20 0 BCADLO Cc1ccc(C[N@@H+](CCO)CC[S@@](C)=O)o1 ZINC000828457584 587443650 /nfs/dbraw/zinc/44/36/50/587443650.db2.gz VFSKDAIMAWMBOW-MRXNPFEDSA-N 1 2 245.344 0.761 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOCC12CC2 ZINC000828469649 587444571 /nfs/dbraw/zinc/44/45/71/587444571.db2.gz QTAIDPDNQLACMS-ZDUSSCGKSA-N 1 2 203.307 0.230 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOCC12CC2 ZINC000828469649 587444573 /nfs/dbraw/zinc/44/45/73/587444573.db2.gz QTAIDPDNQLACMS-ZDUSSCGKSA-N 1 2 203.307 0.230 20 0 BCADLO C[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)[O-])CC2)C1 ZINC000828471035 587444724 /nfs/dbraw/zinc/44/47/24/587444724.db2.gz HSPNHJDWVFQLAW-VQXHTEKXSA-N 1 2 241.335 0.859 20 0 BCADLO C[N@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)[O-])CC2)C1 ZINC000828471035 587444725 /nfs/dbraw/zinc/44/47/25/587444725.db2.gz HSPNHJDWVFQLAW-VQXHTEKXSA-N 1 2 241.335 0.859 20 0 BCADLO CCC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828512018 587446684 /nfs/dbraw/zinc/44/66/84/587446684.db2.gz YJOLZGKEIXOYND-IINYFYTJSA-N 1 2 219.350 0.866 20 0 BCADLO CCC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828512018 587446685 /nfs/dbraw/zinc/44/66/85/587446685.db2.gz YJOLZGKEIXOYND-IINYFYTJSA-N 1 2 219.350 0.866 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000828532521 587447296 /nfs/dbraw/zinc/44/72/96/587447296.db2.gz WZLVMHVCBKOQKJ-AYVTZFPOSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000828532521 587447297 /nfs/dbraw/zinc/44/72/97/587447297.db2.gz WZLVMHVCBKOQKJ-AYVTZFPOSA-N 1 2 241.303 0.721 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CC[S@@](C)=O)n1 ZINC000828537228 587448497 /nfs/dbraw/zinc/44/84/97/587448497.db2.gz WOWJKAOETZJOQQ-XXFAHNHDSA-N 1 2 243.332 0.893 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CC[S@@](C)=O)n1 ZINC000828537228 587448499 /nfs/dbraw/zinc/44/84/99/587448499.db2.gz WOWJKAOETZJOQQ-XXFAHNHDSA-N 1 2 243.332 0.893 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CC[S@](C)=O)n1 ZINC000828537173 587449535 /nfs/dbraw/zinc/44/95/35/587449535.db2.gz WOWJKAOETZJOQQ-ABKXIKBNSA-N 1 2 243.332 0.893 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CC[S@](C)=O)n1 ZINC000828537173 587449536 /nfs/dbraw/zinc/44/95/36/587449536.db2.gz WOWJKAOETZJOQQ-ABKXIKBNSA-N 1 2 243.332 0.893 20 0 BCADLO C[C@@H]1CN(CC[S@@](C)=O)C[C@H](C)[N@H+]1C ZINC000828581406 587451654 /nfs/dbraw/zinc/45/16/54/587451654.db2.gz MSMJGAKTHGSQNH-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1CN(CC[S@@](C)=O)C[C@H](C)[N@@H+]1C ZINC000828581406 587451656 /nfs/dbraw/zinc/45/16/56/587451656.db2.gz MSMJGAKTHGSQNH-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828805932 587462920 /nfs/dbraw/zinc/46/29/20/587462920.db2.gz IYJDQECBPDCJPR-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)C[C@H]([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000828808483 587463367 /nfs/dbraw/zinc/46/33/67/587463367.db2.gz QMZVDLKNZFGQFV-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828869355 587467711 /nfs/dbraw/zinc/46/77/11/587467711.db2.gz BVTPKLDHGDQBHA-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000828962744 587475847 /nfs/dbraw/zinc/47/58/47/587475847.db2.gz XLKMUKIKVCJUCZ-BDAKNGLRSA-N 1 2 223.276 0.229 20 0 BCADLO CCN1CC[N@H+](CC[S@@](C)=O)C(C)(C)C1=O ZINC000828987579 587477503 /nfs/dbraw/zinc/47/75/03/587477503.db2.gz IAWWQFUHFULFLC-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CCN1CC[N@@H+](CC[S@@](C)=O)C(C)(C)C1=O ZINC000828987579 587477504 /nfs/dbraw/zinc/47/75/04/587477504.db2.gz IAWWQFUHFULFLC-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO Cc1cnc(C[NH+]2CC(C)(C(N)=O)C2)cn1 ZINC000829051897 587480751 /nfs/dbraw/zinc/48/07/51/587480751.db2.gz PQSHNGHJHMUJGQ-UHFFFAOYSA-N 1 2 220.276 0.092 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000829107307 587482914 /nfs/dbraw/zinc/48/29/14/587482914.db2.gz PERFREDNYQYQBX-MEDUHNTESA-N 1 2 246.376 0.356 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000829107307 587482916 /nfs/dbraw/zinc/48/29/16/587482916.db2.gz PERFREDNYQYQBX-MEDUHNTESA-N 1 2 246.376 0.356 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000829107698 587483125 /nfs/dbraw/zinc/48/31/25/587483125.db2.gz RONQPKQZIZBEDY-QLJPJBMISA-N 1 2 246.376 0.211 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000829107698 587483126 /nfs/dbraw/zinc/48/31/26/587483126.db2.gz RONQPKQZIZBEDY-QLJPJBMISA-N 1 2 246.376 0.211 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000829108705 587483465 /nfs/dbraw/zinc/48/34/65/587483465.db2.gz YTRGIWWZCWIDJO-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000829108705 587483466 /nfs/dbraw/zinc/48/34/66/587483466.db2.gz YTRGIWWZCWIDJO-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3cnco3)cc2C1 ZINC000829434950 587497055 /nfs/dbraw/zinc/49/70/55/587497055.db2.gz MBFQMIJFTBGNNF-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3cnco3)cc2C1 ZINC000829434950 587497057 /nfs/dbraw/zinc/49/70/57/587497057.db2.gz MBFQMIJFTBGNNF-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cn[nH]c1 ZINC000829451298 587498108 /nfs/dbraw/zinc/49/81/08/587498108.db2.gz NBGXKZLEQYOIRJ-MRVPVSSYSA-N 1 2 245.286 0.901 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cn[nH]c1 ZINC000829451298 587498110 /nfs/dbraw/zinc/49/81/10/587498110.db2.gz NBGXKZLEQYOIRJ-MRVPVSSYSA-N 1 2 245.286 0.901 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3cn[nH]c3)cc2C1 ZINC000829456909 587498801 /nfs/dbraw/zinc/49/88/01/587498801.db2.gz IPCMIIXVTPUEPW-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3cn[nH]c3)cc2C1 ZINC000829456909 587498802 /nfs/dbraw/zinc/49/88/02/587498802.db2.gz IPCMIIXVTPUEPW-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000829658954 587507845 /nfs/dbraw/zinc/50/78/45/587507845.db2.gz AVJNETKWDNPKKX-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000829658954 587507846 /nfs/dbraw/zinc/50/78/46/587507846.db2.gz AVJNETKWDNPKKX-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO COCCONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000829682317 587509186 /nfs/dbraw/zinc/50/91/86/587509186.db2.gz CKLPCPSHZREJTL-QMMMGPOBSA-N 1 2 239.275 0.209 20 0 BCADLO COCCONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000829682317 587509188 /nfs/dbraw/zinc/50/91/88/587509188.db2.gz CKLPCPSHZREJTL-QMMMGPOBSA-N 1 2 239.275 0.209 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2COCC[C@H]21 ZINC000829982220 587530917 /nfs/dbraw/zinc/53/09/17/587530917.db2.gz LRWFJXJBHAQPQV-WDEREUQCSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000829982218 587530933 /nfs/dbraw/zinc/53/09/33/587530933.db2.gz LRWFJXJBHAQPQV-MNOVXSKESA-N 1 2 249.314 0.980 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830241868 587543394 /nfs/dbraw/zinc/54/33/94/587543394.db2.gz BOVSUVCXISVMMX-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO CCOc1n[nH]c(NC(=O)C[NH+]2CCCC2)n1 ZINC000830399743 587549142 /nfs/dbraw/zinc/54/91/42/587549142.db2.gz KUKVUHCYWLMSFL-UHFFFAOYSA-N 1 2 239.279 0.238 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000830623458 587560969 /nfs/dbraw/zinc/56/09/69/587560969.db2.gz RRMPYOSPZAFAAG-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000830623458 587560970 /nfs/dbraw/zinc/56/09/70/587560970.db2.gz RRMPYOSPZAFAAG-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000830749371 587566681 /nfs/dbraw/zinc/56/66/81/587566681.db2.gz WIQKACLVHYVREK-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(F)CC1 ZINC000830758721 587568091 /nfs/dbraw/zinc/56/80/91/587568091.db2.gz RPNHNRZNFFJBBD-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO O=C1N[C@@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]2CO1 ZINC000830944316 587578529 /nfs/dbraw/zinc/57/85/29/587578529.db2.gz ZRWXIOCAEIOTBS-DTWKUNHWSA-N 1 2 236.275 0.340 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cc1[nH]c[nH+]c1C ZINC000831311403 587597628 /nfs/dbraw/zinc/59/76/28/587597628.db2.gz OCJMYIKTYCLUIP-PSASIEDQSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cc1[nH+]c[nH]c1C ZINC000831311403 587597630 /nfs/dbraw/zinc/59/76/30/587597630.db2.gz OCJMYIKTYCLUIP-PSASIEDQSA-N 1 2 239.319 0.926 20 0 BCADLO Cc1cncc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000831355359 587600837 /nfs/dbraw/zinc/60/08/37/587600837.db2.gz LEKQHSXWNUSKSK-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CCON(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000831463456 587610495 /nfs/dbraw/zinc/61/04/95/587610495.db2.gz ZBWGHMAYQVJDLE-UHFFFAOYSA-N 1 2 244.335 0.897 20 0 BCADLO CCON(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000831476853 587612884 /nfs/dbraw/zinc/61/28/84/587612884.db2.gz VAPOHSPPMBAADZ-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO CCON(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000831476853 587612885 /nfs/dbraw/zinc/61/28/85/587612885.db2.gz VAPOHSPPMBAADZ-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831606613 587622613 /nfs/dbraw/zinc/62/26/13/587622613.db2.gz FNCXPDUTTJWCLY-NXEZZACHSA-N 1 2 235.287 0.844 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831697674 587627989 /nfs/dbraw/zinc/62/79/89/587627989.db2.gz OCRKAQKPTIGPAV-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000831958670 587639021 /nfs/dbraw/zinc/63/90/21/587639021.db2.gz NPYQPMRKRSHKCO-SNVBAGLBSA-N 1 2 227.308 0.424 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000831958908 587639579 /nfs/dbraw/zinc/63/95/79/587639579.db2.gz VKFKJVRFWBMORP-VIFPVBQESA-N 1 2 224.264 0.225 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1(CO)CCC1 ZINC000832114481 587645798 /nfs/dbraw/zinc/64/57/98/587645798.db2.gz FDRADHCGQKSRGA-UHFFFAOYSA-N 1 2 223.276 0.231 20 0 BCADLO CC(C)C[C@@H](CO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000832380725 587657272 /nfs/dbraw/zinc/65/72/72/587657272.db2.gz VRYVYHBALDMHAJ-JTQLQIEISA-N 1 2 239.319 0.818 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000832571062 587667005 /nfs/dbraw/zinc/66/70/05/587667005.db2.gz SOBXZWAJSVTXSZ-NXEZZACHSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H](O)CC(F)(F)C1 ZINC000832826991 587692907 /nfs/dbraw/zinc/69/29/07/587692907.db2.gz HSIUSRISJXURRV-SSDOTTSWSA-N 1 2 245.229 0.181 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@](C)(C(=O)[O-])C1CC1 ZINC000833058906 587698502 /nfs/dbraw/zinc/69/85/02/587698502.db2.gz OZFITUQAZAMUMH-NSHDSACASA-N 1 2 223.276 0.763 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1ncccc1O ZINC000833292634 587704699 /nfs/dbraw/zinc/70/46/99/587704699.db2.gz JJLGKLSOAPCUGR-MRVPVSSYSA-N 1 2 244.254 0.859 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000833406115 587713594 /nfs/dbraw/zinc/71/35/94/587713594.db2.gz AZFDROSQVSXUHU-DTWKUNHWSA-N 1 2 223.276 0.683 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000833406115 587713595 /nfs/dbraw/zinc/71/35/95/587713595.db2.gz AZFDROSQVSXUHU-DTWKUNHWSA-N 1 2 223.276 0.683 20 0 BCADLO O=C([O-])N[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000834176221 587748030 /nfs/dbraw/zinc/74/80/30/587748030.db2.gz RKNISWINHXBXMM-NXEZZACHSA-N 1 2 238.291 0.661 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C2CC2)O1 ZINC000834765960 587766165 /nfs/dbraw/zinc/76/61/65/587766165.db2.gz VNWOBCFTWIQRAS-GXSJLCMTSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000867121055 587799354 /nfs/dbraw/zinc/79/93/54/587799354.db2.gz KBPIONXLEYQBQK-WCABBAIRSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1(O)CCCC1 ZINC000837429614 587872489 /nfs/dbraw/zinc/87/24/89/587872489.db2.gz GHTCIDYKRKEEOC-UHFFFAOYSA-N 1 2 238.287 0.811 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc[nH]n1 ZINC000837536620 587880598 /nfs/dbraw/zinc/88/05/98/587880598.db2.gz ADBHDYHDIJKUOY-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc[nH]n1 ZINC000837536620 587880600 /nfs/dbraw/zinc/88/06/00/587880600.db2.gz ADBHDYHDIJKUOY-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO C[C@@H]1CN(C(=O)C(F)F)[C@@H](C)C[N@@H+]1CCO ZINC000841455468 587954977 /nfs/dbraw/zinc/95/49/77/587954977.db2.gz UESCQUMEUSEXOS-SFYZADRCSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@@H]1CN(C(=O)C(F)F)[C@@H](C)C[N@H+]1CCO ZINC000841455468 587954978 /nfs/dbraw/zinc/95/49/78/587954978.db2.gz UESCQUMEUSEXOS-SFYZADRCSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)F ZINC000841455469 587955306 /nfs/dbraw/zinc/95/53/06/587955306.db2.gz UESCQUMEUSEXOS-YUMQZZPRSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)F ZINC000841455469 587955307 /nfs/dbraw/zinc/95/53/07/587955307.db2.gz UESCQUMEUSEXOS-YUMQZZPRSA-N 1 2 236.262 0.165 20 0 BCADLO CO[C@@H]1CCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841675355 587971134 /nfs/dbraw/zinc/97/11/34/587971134.db2.gz AUHMLXDSTOHEQP-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO CO[C@@H]1CCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841675355 587971135 /nfs/dbraw/zinc/97/11/35/587971135.db2.gz AUHMLXDSTOHEQP-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@H](C(=O)N(C)C)C(C)C ZINC000842037218 587991919 /nfs/dbraw/zinc/99/19/19/587991919.db2.gz UOGMLZCZRMTYCK-BDAKNGLRSA-N 1 2 245.323 0.633 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOCC1CCC1 ZINC000842157296 588005043 /nfs/dbraw/zinc/00/50/43/588005043.db2.gz QXUUWBJZNZDRRB-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOCC1CCC1 ZINC000842157296 588005045 /nfs/dbraw/zinc/00/50/45/588005045.db2.gz QXUUWBJZNZDRRB-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCC[N@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842595220 588044845 /nfs/dbraw/zinc/04/48/45/588044845.db2.gz SWCPYOWNIYZPHT-UHFFFAOYSA-N 1 2 226.324 0.926 20 0 BCADLO CCC[N@@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842595220 588044847 /nfs/dbraw/zinc/04/48/47/588044847.db2.gz SWCPYOWNIYZPHT-UHFFFAOYSA-N 1 2 226.324 0.926 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661205 588050246 /nfs/dbraw/zinc/05/02/46/588050246.db2.gz MFMFRYOKKZNMKQ-NXEZZACHSA-N 1 2 246.307 0.573 20 0 BCADLO CCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842658593 588050258 /nfs/dbraw/zinc/05/02/58/588050258.db2.gz PTAWSRQFLMDVGN-SECBINFHSA-N 1 2 216.281 0.948 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842663187 588050460 /nfs/dbraw/zinc/05/04/60/588050460.db2.gz XNLHHFXVXGKJEF-ZJUUUORDSA-N 1 2 246.307 0.309 20 0 BCADLO COC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC000842781600 588063221 /nfs/dbraw/zinc/06/32/21/588063221.db2.gz YZBCGWRNCULIBG-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO COC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC000842781600 588063223 /nfs/dbraw/zinc/06/32/23/588063223.db2.gz YZBCGWRNCULIBG-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCO1 ZINC000867317193 588076012 /nfs/dbraw/zinc/07/60/12/588076012.db2.gz KQJMKGFDZDRFMY-IWQZZHSRSA-N 1 2 226.276 0.039 20 0 BCADLO CC[NH2+]Cc1noc(CCc2ccnn2C)n1 ZINC000843141834 588086189 /nfs/dbraw/zinc/08/61/89/588086189.db2.gz UQFDSWFBSJAOPS-UHFFFAOYSA-N 1 2 235.291 0.698 20 0 BCADLO CC[NH2+]Cc1noc(CCn2ccccc2=O)n1 ZINC000843145457 588086667 /nfs/dbraw/zinc/08/66/67/588086667.db2.gz MLZSOLOXJWKVSM-UHFFFAOYSA-N 1 2 248.286 0.584 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(F)CC1 ZINC000843766833 588138920 /nfs/dbraw/zinc/13/89/20/588138920.db2.gz WHJVXKLZPHWULZ-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C2(F)CC2)C1 ZINC000843857421 588145338 /nfs/dbraw/zinc/14/53/38/588145338.db2.gz JOLQJJHFSXCBED-UHFFFAOYSA-N 1 2 200.257 0.697 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844137828 588170019 /nfs/dbraw/zinc/17/00/19/588170019.db2.gz AVOZYLFMRMZKLW-SSDOTTSWSA-N 1 2 245.229 0.758 20 0 BCADLO O=C1O[C@@H](Cn2cc[nH+]c2)CN1C1CC1 ZINC000844302394 588182080 /nfs/dbraw/zinc/18/20/80/588182080.db2.gz ADRUZJBFICDLJS-VIFPVBQESA-N 1 2 207.233 0.866 20 0 BCADLO O=C1O[C@H](Cn2cc[nH+]c2)CN1C1CC1 ZINC000844302393 588182425 /nfs/dbraw/zinc/18/24/25/588182425.db2.gz ADRUZJBFICDLJS-SECBINFHSA-N 1 2 207.233 0.866 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844401137 588189929 /nfs/dbraw/zinc/18/99/29/588189929.db2.gz GWYSUMWXBGYPOI-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844401137 588189930 /nfs/dbraw/zinc/18/99/30/588189930.db2.gz GWYSUMWXBGYPOI-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402372 588190055 /nfs/dbraw/zinc/19/00/55/588190055.db2.gz QCLMIMUCBCSSHK-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402372 588190057 /nfs/dbraw/zinc/19/00/57/588190057.db2.gz QCLMIMUCBCSSHK-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000844422664 588191037 /nfs/dbraw/zinc/19/10/37/588191037.db2.gz RJVCIWYSURGNTP-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000844422664 588191038 /nfs/dbraw/zinc/19/10/38/588191038.db2.gz RJVCIWYSURGNTP-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO COCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448968 588195215 /nfs/dbraw/zinc/19/52/15/588195215.db2.gz CFJGRFYYSVGHEX-DTORHVGOSA-N 1 2 248.273 0.336 20 0 BCADLO COCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448968 588195217 /nfs/dbraw/zinc/19/52/17/588195217.db2.gz CFJGRFYYSVGHEX-DTORHVGOSA-N 1 2 248.273 0.336 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458218 588196710 /nfs/dbraw/zinc/19/67/10/588196710.db2.gz NHCDCYCCDDRKMJ-LYFYHCNISA-N 1 2 229.234 0.468 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458218 588196711 /nfs/dbraw/zinc/19/67/11/588196711.db2.gz NHCDCYCCDDRKMJ-LYFYHCNISA-N 1 2 229.234 0.468 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844472827 588198025 /nfs/dbraw/zinc/19/80/25/588198025.db2.gz CLCPWPATMDRKBM-XIZWVBILSA-N 1 2 247.360 0.243 20 0 BCADLO C[S@@](=O)CC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844472827 588198026 /nfs/dbraw/zinc/19/80/26/588198026.db2.gz CLCPWPATMDRKBM-XIZWVBILSA-N 1 2 247.360 0.243 20 0 BCADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=O)n1C ZINC000844685682 588212466 /nfs/dbraw/zinc/21/24/66/588212466.db2.gz GHPYHSAYFTVGSW-SECBINFHSA-N 1 2 226.324 0.824 20 0 BCADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=O)n1C ZINC000844685682 588212468 /nfs/dbraw/zinc/21/24/68/588212468.db2.gz GHPYHSAYFTVGSW-SECBINFHSA-N 1 2 226.324 0.824 20 0 BCADLO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c(=O)n1C ZINC000844699718 588213920 /nfs/dbraw/zinc/21/39/20/588213920.db2.gz OQUJUZHQZDNLOO-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@H+]2CCC(C)(C)C2)c(=O)n1C ZINC000844699718 588213922 /nfs/dbraw/zinc/21/39/22/588213922.db2.gz OQUJUZHQZDNLOO-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=O)n1C ZINC000844696693 588214395 /nfs/dbraw/zinc/21/43/95/588214395.db2.gz CDMUALKKVPFPDD-LLVKDONJSA-N 1 2 236.319 0.580 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=O)n1C ZINC000844696693 588214399 /nfs/dbraw/zinc/21/43/99/588214399.db2.gz CDMUALKKVPFPDD-LLVKDONJSA-N 1 2 236.319 0.580 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c(=O)n1C ZINC000844694321 588214414 /nfs/dbraw/zinc/21/44/14/588214414.db2.gz MRGOUMZMBYTQMR-DTORHVGOSA-N 1 2 224.308 0.436 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(=O)n1C ZINC000844694321 588214415 /nfs/dbraw/zinc/21/44/15/588214415.db2.gz MRGOUMZMBYTQMR-DTORHVGOSA-N 1 2 224.308 0.436 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000845206883 588223632 /nfs/dbraw/zinc/22/36/32/588223632.db2.gz AWNLSQSKVDUIQK-YAEJEKNGSA-N 1 2 237.303 0.981 20 0 BCADLO COC/C(C)=C/C(=O)OCC[NH+]1CCOCC1 ZINC000845239966 588224475 /nfs/dbraw/zinc/22/44/75/588224475.db2.gz AYEBQIGVGGNUFZ-PKNBQFBNSA-N 1 2 243.303 0.455 20 0 BCADLO C[C@@H](CC(=O)OCCCO)n1cc[nH+]c1 ZINC000845276931 588225112 /nfs/dbraw/zinc/22/51/12/588225112.db2.gz FARUETDBHJUATH-VIFPVBQESA-N 1 2 212.249 0.760 20 0 BCADLO C[C@H](CC(=O)OCCn1cncn1)n1cc[nH+]c1 ZINC000845282385 588225246 /nfs/dbraw/zinc/22/52/46/588225246.db2.gz RYAMROPQYIPRHM-SNVBAGLBSA-N 1 2 249.274 0.669 20 0 BCADLO C[C@@H](CC(=O)OCCn1cncn1)n1cc[nH+]c1 ZINC000845282384 588225350 /nfs/dbraw/zinc/22/53/50/588225350.db2.gz RYAMROPQYIPRHM-JTQLQIEISA-N 1 2 249.274 0.669 20 0 BCADLO C[C@H](CC(=O)OCc1cnnn1C)n1cc[nH+]c1 ZINC000845283787 588225771 /nfs/dbraw/zinc/22/57/71/588225771.db2.gz GUQPEYIHVYPARX-SECBINFHSA-N 1 2 249.274 0.706 20 0 BCADLO CCN1CCC[N@H+](CCS(=O)(=O)CC)CC1 ZINC000105867887 588227378 /nfs/dbraw/zinc/22/73/78/588227378.db2.gz YFHFSMZZUNNCGF-UHFFFAOYSA-N 1 2 248.392 0.449 20 0 BCADLO CCN1CCC[N@@H+](CCS(=O)(=O)CC)CC1 ZINC000105867887 588227379 /nfs/dbraw/zinc/22/73/79/588227379.db2.gz YFHFSMZZUNNCGF-UHFFFAOYSA-N 1 2 248.392 0.449 20 0 BCADLO OC1(C[N@@H+]2CCn3cnnc3C2)CCCCC1 ZINC000105903694 588229463 /nfs/dbraw/zinc/22/94/63/588229463.db2.gz MGCOMZJEOUUBDS-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO OC1(C[N@H+]2CCn3cnnc3C2)CCCCC1 ZINC000105903694 588229464 /nfs/dbraw/zinc/22/94/64/588229464.db2.gz MGCOMZJEOUUBDS-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO CNC(=O)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845480880 588230245 /nfs/dbraw/zinc/23/02/45/588230245.db2.gz QTLZRMNFSWMSQT-VIFPVBQESA-N 1 2 239.275 0.514 20 0 BCADLO COC/C(C)=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000845486939 588230341 /nfs/dbraw/zinc/23/03/41/588230341.db2.gz JHGPOOVOOHTUSF-VMPITWQZSA-N 1 2 209.249 0.619 20 0 BCADLO COCC(C)=CC(=O)NCc1[nH]cc[nH+]1 ZINC000845486939 588230342 /nfs/dbraw/zinc/23/03/42/588230342.db2.gz JHGPOOVOOHTUSF-VMPITWQZSA-N 1 2 209.249 0.619 20 0 BCADLO CON(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000867396557 588245846 /nfs/dbraw/zinc/24/58/46/588245846.db2.gz YUYCBRHSZJUVJC-JTQLQIEISA-N 1 2 239.275 0.776 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCO1 ZINC000845931639 588250722 /nfs/dbraw/zinc/25/07/22/588250722.db2.gz UIBUKFFMQPGXMI-UHFFFAOYSA-N 1 2 235.287 0.926 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000846086285 588255989 /nfs/dbraw/zinc/25/59/89/588255989.db2.gz NMJXPVFVBPYCGO-GHMZBOCLSA-N 1 2 244.335 0.847 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)nn1 ZINC000846103076 588256539 /nfs/dbraw/zinc/25/65/39/588256539.db2.gz LLLMZHXBYUEJSP-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)nn1 ZINC000846103076 588256540 /nfs/dbraw/zinc/25/65/40/588256540.db2.gz LLLMZHXBYUEJSP-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO COCCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846141446 588258518 /nfs/dbraw/zinc/25/85/18/588258518.db2.gz IZJQIBJGLPZGAS-JTQLQIEISA-N 1 2 241.291 0.919 20 0 BCADLO CC(C)(NC(=O)c1ncccn1)c1[nH]cc[nH+]1 ZINC000846244051 588262625 /nfs/dbraw/zinc/26/26/25/588262625.db2.gz FBCBZBWCVYTYAU-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCOCC2(C)C)OC1=O ZINC000846780380 588288078 /nfs/dbraw/zinc/28/80/78/588288078.db2.gz QPDCSSNBOUSTSJ-SNVBAGLBSA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCOCC2(C)C)OC1=O ZINC000846780380 588288079 /nfs/dbraw/zinc/28/80/79/588288079.db2.gz QPDCSSNBOUSTSJ-SNVBAGLBSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@H]1CN(CC)C(=O)O1 ZINC000846808297 588290169 /nfs/dbraw/zinc/29/01/69/588290169.db2.gz KKFFMXYTSXBMLO-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@H]1CN(CC)C(=O)O1 ZINC000846808297 588290170 /nfs/dbraw/zinc/29/01/70/588290170.db2.gz KKFFMXYTSXBMLO-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO NC(=O)C[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846809756 588290615 /nfs/dbraw/zinc/29/06/15/588290615.db2.gz AJXMIRHZIPMFDM-MRVPVSSYSA-N 1 2 240.332 0.626 20 0 BCADLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846809756 588290616 /nfs/dbraw/zinc/29/06/16/588290616.db2.gz AJXMIRHZIPMFDM-MRVPVSSYSA-N 1 2 240.332 0.626 20 0 BCADLO CCN1C[C@H](C[N@H+](C)[C@H](C)C(=O)OC)OC1=O ZINC000846884009 588295259 /nfs/dbraw/zinc/29/52/59/588295259.db2.gz OXABCJBBIWCDJY-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@H](C[N@@H+](C)[C@H](C)C(=O)OC)OC1=O ZINC000846884009 588295260 /nfs/dbraw/zinc/29/52/60/588295260.db2.gz OXABCJBBIWCDJY-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnsn1 ZINC000846891315 588295420 /nfs/dbraw/zinc/29/54/20/588295420.db2.gz WZVYYIAPKWITRU-POYBYMJQSA-N 1 2 226.305 0.152 20 0 BCADLO CC[N@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846927539 588297133 /nfs/dbraw/zinc/29/71/33/588297133.db2.gz YUERGDGGCCXCAW-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846927539 588297134 /nfs/dbraw/zinc/29/71/34/588297134.db2.gz YUERGDGGCCXCAW-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CON1CCN(Cc2[nH+]ccn2C)CC1 ZINC000846971658 588299175 /nfs/dbraw/zinc/29/91/75/588299175.db2.gz MTVIMODCUPJEGW-UHFFFAOYSA-N 1 2 210.281 0.099 20 0 BCADLO CCCCNC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846974884 588299555 /nfs/dbraw/zinc/29/95/55/588299555.db2.gz AQGYGTYYYFFUDN-NSHDSACASA-N 1 2 243.351 0.470 20 0 BCADLO CON1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000846978571 588299809 /nfs/dbraw/zinc/29/98/09/588299809.db2.gz MSQITZQWSIYRNR-SSDOTTSWSA-N 1 2 228.214 0.089 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846976882 588299931 /nfs/dbraw/zinc/29/99/31/588299931.db2.gz KIMSUIYGCNKLPA-GHMZBOCLSA-N 1 2 243.351 0.469 20 0 BCADLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846998760 588301181 /nfs/dbraw/zinc/30/11/81/588301181.db2.gz ZLLNHYOUYDEUJA-QMMMGPOBSA-N 1 2 240.332 0.448 20 0 BCADLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846998760 588301182 /nfs/dbraw/zinc/30/11/82/588301182.db2.gz ZLLNHYOUYDEUJA-QMMMGPOBSA-N 1 2 240.332 0.448 20 0 BCADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H](O)COC ZINC000847059505 588305459 /nfs/dbraw/zinc/30/54/59/588305459.db2.gz YKELUSLPGQYXRJ-SNVBAGLBSA-N 1 2 247.335 0.705 20 0 BCADLO C[N@H+](CN1C(=O)CC(C)(C)C1=O)[C@@H]1CCOC1 ZINC000106857652 588313275 /nfs/dbraw/zinc/31/32/75/588313275.db2.gz IQELQIKTFRVPAZ-SECBINFHSA-N 1 2 240.303 0.450 20 0 BCADLO C[N@@H+](CN1C(=O)CC(C)(C)C1=O)[C@@H]1CCOC1 ZINC000106857652 588313277 /nfs/dbraw/zinc/31/32/77/588313277.db2.gz IQELQIKTFRVPAZ-SECBINFHSA-N 1 2 240.303 0.450 20 0 BCADLO CSCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848021529 588348610 /nfs/dbraw/zinc/34/86/10/588348610.db2.gz XNNHIDSBFAIOLH-QMMMGPOBSA-N 1 2 243.332 0.999 20 0 BCADLO CSCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848021529 588348612 /nfs/dbraw/zinc/34/86/12/588348612.db2.gz XNNHIDSBFAIOLH-QMMMGPOBSA-N 1 2 243.332 0.999 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1(C)C ZINC000848035021 588348798 /nfs/dbraw/zinc/34/87/98/588348798.db2.gz JCKKTVNAGOCWAO-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1(C)C ZINC000848035021 588348800 /nfs/dbraw/zinc/34/88/00/588348800.db2.gz JCKKTVNAGOCWAO-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO CCO/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000848063069 588352932 /nfs/dbraw/zinc/35/29/32/588352932.db2.gz KWEUILUMNZAJFA-BRAIEQGRSA-N 1 2 235.287 0.864 20 0 BCADLO COCCCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848068647 588353084 /nfs/dbraw/zinc/35/30/84/588353084.db2.gz MNFTZENHSOXWAC-SECBINFHSA-N 1 2 241.291 0.673 20 0 BCADLO COCCCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848068647 588353086 /nfs/dbraw/zinc/35/30/86/588353086.db2.gz MNFTZENHSOXWAC-SECBINFHSA-N 1 2 241.291 0.673 20 0 BCADLO C=C=CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000848114082 588357095 /nfs/dbraw/zinc/35/70/95/588357095.db2.gz FDRRAEXPNDZAMB-LLVKDONJSA-N 1 2 234.303 0.480 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848116582 588358198 /nfs/dbraw/zinc/35/81/98/588358198.db2.gz QTFKNIJDKNQABK-SNVBAGLBSA-N 1 2 217.272 0.903 20 0 BCADLO COCOCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000848167294 588363412 /nfs/dbraw/zinc/36/34/12/588363412.db2.gz HBONWYBTXONNJO-UHFFFAOYSA-N 1 2 241.291 0.387 20 0 BCADLO COCOCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000848167294 588363414 /nfs/dbraw/zinc/36/34/14/588363414.db2.gz HBONWYBTXONNJO-UHFFFAOYSA-N 1 2 241.291 0.387 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)/C=C\COC ZINC000848174662 588364989 /nfs/dbraw/zinc/36/49/89/588364989.db2.gz RJVQZBQAOIIYRS-PLNGDYQASA-N 1 2 223.276 0.722 20 0 BCADLO C[C@H]1CN=C(NC(=O)C[NH+]2CC(C)(C)C2)S1 ZINC000848232357 588365975 /nfs/dbraw/zinc/36/59/75/588365975.db2.gz DEZWANCTBOYOJQ-QMMMGPOBSA-N 1 2 241.360 0.936 20 0 BCADLO O=C1O[C@H](C[NH2+]Cc2ccn[nH]2)CN1C1CC1 ZINC000848579305 588399481 /nfs/dbraw/zinc/39/94/81/588399481.db2.gz YILFVUMFJRGOHY-SNVBAGLBSA-N 1 2 236.275 0.483 20 0 BCADLO COC[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000848697874 588406273 /nfs/dbraw/zinc/40/62/73/588406273.db2.gz XPPPFODFZIHXIR-QMMMGPOBSA-N 1 2 227.264 0.213 20 0 BCADLO Cn1c(C[NH+]2CC(CCO)C2)cnc1Cl ZINC000848916368 588417804 /nfs/dbraw/zinc/41/78/04/588417804.db2.gz GQPGFFCUYPUBIZ-UHFFFAOYSA-N 1 2 229.711 0.888 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnc(Cl)n2C)C[C@H]1O ZINC000848915525 588419885 /nfs/dbraw/zinc/41/98/85/588419885.db2.gz XBQUDYWQBWYXNR-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnc(Cl)n2C)C[C@H]1O ZINC000848915525 588419887 /nfs/dbraw/zinc/41/98/87/588419887.db2.gz XBQUDYWQBWYXNR-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848919465 588421121 /nfs/dbraw/zinc/42/11/21/588421121.db2.gz LUAMAKGSQJLPOM-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc(Cl)n1C ZINC000848919465 588421122 /nfs/dbraw/zinc/42/11/22/588421122.db2.gz LUAMAKGSQJLPOM-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CCONC(=O)CNC(=[NH2+])NC1CCCC1 ZINC000849049327 588451357 /nfs/dbraw/zinc/45/13/57/588451357.db2.gz QYNCWWGEVAMWPQ-UHFFFAOYSA-N 1 2 228.296 0.111 20 0 BCADLO C[Si](C)(C)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000849136000 588453722 /nfs/dbraw/zinc/45/37/22/588453722.db2.gz MPXKTFLQHLRNIB-SNVBAGLBSA-N 1 2 240.383 0.816 20 0 BCADLO CC[C@@](C)(O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849150671 588456229 /nfs/dbraw/zinc/45/62/29/588456229.db2.gz OMAGPRHPFJAHBR-GFCCVEGCSA-N 1 2 248.286 0.772 20 0 BCADLO CC(C)(O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849150728 588456271 /nfs/dbraw/zinc/45/62/71/588456271.db2.gz PVRIBEWHMBIIED-UHFFFAOYSA-N 1 2 234.259 0.382 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)c1ccc[nH]1 ZINC000849168650 588459083 /nfs/dbraw/zinc/45/90/83/588459083.db2.gz ZQVWXJCDEKWJOQ-UHFFFAOYSA-N 1 2 224.260 0.504 20 0 BCADLO CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849282787 588469817 /nfs/dbraw/zinc/46/98/17/588469817.db2.gz WBOMFZTUAZUGMB-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849282787 588469818 /nfs/dbraw/zinc/46/98/18/588469818.db2.gz WBOMFZTUAZUGMB-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C=CCC1 ZINC000849360174 588475248 /nfs/dbraw/zinc/47/52/48/588475248.db2.gz YVEKGDPSMAGGGT-ZJUUUORDSA-N 1 2 246.270 0.591 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C=CCC1 ZINC000849360174 588475249 /nfs/dbraw/zinc/47/52/49/588475249.db2.gz YVEKGDPSMAGGGT-ZJUUUORDSA-N 1 2 246.270 0.591 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc[nH]n2)C1 ZINC000849735639 588491646 /nfs/dbraw/zinc/49/16/46/588491646.db2.gz VVOILUZUHJPXBU-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc[nH]n2)C1 ZINC000849735639 588491647 /nfs/dbraw/zinc/49/16/47/588491647.db2.gz VVOILUZUHJPXBU-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO C[C@H](O)CCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000849747199 588493078 /nfs/dbraw/zinc/49/30/78/588493078.db2.gz IONMZRQCGXYUDY-VIFPVBQESA-N 1 2 238.287 0.911 20 0 BCADLO Cn1ccc(C[NH2+]Cc2cnn3c2CCC3)n1 ZINC000850231903 588530786 /nfs/dbraw/zinc/53/07/86/588530786.db2.gz QBOOLUSPKPLFAQ-UHFFFAOYSA-N 1 2 231.303 0.853 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CC[C@@H]2C)[nH]1 ZINC000850514854 588556046 /nfs/dbraw/zinc/55/60/46/588556046.db2.gz QQYQBRDKKMSGRT-JGVFFNPUSA-N 1 2 210.281 0.839 20 0 BCADLO COC[C@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000850869231 588572242 /nfs/dbraw/zinc/57/22/42/588572242.db2.gz PDOCNRLIQQPWFU-VIFPVBQESA-N 1 2 228.248 0.125 20 0 BCADLO CCOC(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851718685 588616612 /nfs/dbraw/zinc/61/66/12/588616612.db2.gz OSFKXZLJRCNJQG-UHFFFAOYSA-N 1 2 239.275 0.845 20 0 BCADLO CN(C)C(=O)C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851720959 588616981 /nfs/dbraw/zinc/61/69/81/588616981.db2.gz XHRQTUPOVJVJSI-NSHDSACASA-N 1 2 237.303 0.135 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851720959 588616982 /nfs/dbraw/zinc/61/69/82/588616982.db2.gz XHRQTUPOVJVJSI-NSHDSACASA-N 1 2 237.303 0.135 20 0 BCADLO COC(=O)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851736181 588620459 /nfs/dbraw/zinc/62/04/59/588620459.db2.gz NSBNGWWCYNJWDO-UHFFFAOYSA-N 1 2 239.275 0.845 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC(=O)O1 ZINC000851738132 588621050 /nfs/dbraw/zinc/62/10/50/588621050.db2.gz WJBWTPZHAGQNGO-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCC(=O)O1 ZINC000851738132 588621051 /nfs/dbraw/zinc/62/10/51/588621051.db2.gz WJBWTPZHAGQNGO-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H]1CCC(=O)O1)C(C)C ZINC000851745010 588621780 /nfs/dbraw/zinc/62/17/80/588621780.db2.gz UPNBBQVXRYNQTL-SNVBAGLBSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H]1CCC(=O)O1)C(C)C ZINC000851745010 588621781 /nfs/dbraw/zinc/62/17/81/588621781.db2.gz UPNBBQVXRYNQTL-SNVBAGLBSA-N 1 2 243.303 0.966 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)n(C)n1 ZINC000851747331 588622233 /nfs/dbraw/zinc/62/22/33/588622233.db2.gz FQJIEYDLWNXJGD-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)n(C)n1 ZINC000851747331 588622234 /nfs/dbraw/zinc/62/22/34/588622234.db2.gz FQJIEYDLWNXJGD-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)nc(C)n1 ZINC000851747525 588622336 /nfs/dbraw/zinc/62/23/36/588622336.db2.gz VZAHZAACLNIRQS-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)nc(C)n1 ZINC000851747525 588622337 /nfs/dbraw/zinc/62/23/37/588622337.db2.gz VZAHZAACLNIRQS-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)c1ccccn1 ZINC000851749975 588623278 /nfs/dbraw/zinc/62/32/78/588623278.db2.gz SPNRZZRCTHWGKI-LLVKDONJSA-N 1 2 238.287 0.610 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)c1ccccn1 ZINC000851749975 588623279 /nfs/dbraw/zinc/62/32/79/588623279.db2.gz SPNRZZRCTHWGKI-LLVKDONJSA-N 1 2 238.287 0.610 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851768235 588624862 /nfs/dbraw/zinc/62/48/62/588624862.db2.gz HBWUSGGVTOXATL-MRVPVSSYSA-N 1 2 211.265 0.662 20 0 BCADLO COCC[N@H+](CCC(=O)OC)Cc1cnon1 ZINC000851771545 588625372 /nfs/dbraw/zinc/62/53/72/588625372.db2.gz IILARDHFKWGWFK-UHFFFAOYSA-N 1 2 243.263 0.081 20 0 BCADLO COCC[N@@H+](CCC(=O)OC)Cc1cnon1 ZINC000851771545 588625373 /nfs/dbraw/zinc/62/53/73/588625373.db2.gz IILARDHFKWGWFK-UHFFFAOYSA-N 1 2 243.263 0.081 20 0 BCADLO COCC[N@H+](CCOC(F)F)CC(=O)OC ZINC000851771755 588625820 /nfs/dbraw/zinc/62/58/20/588625820.db2.gz NPKFUVMTVVRFBU-UHFFFAOYSA-N 1 2 241.234 0.347 20 0 BCADLO COCC[N@@H+](CCOC(F)F)CC(=O)OC ZINC000851771755 588625821 /nfs/dbraw/zinc/62/58/21/588625821.db2.gz NPKFUVMTVVRFBU-UHFFFAOYSA-N 1 2 241.234 0.347 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851779433 588626952 /nfs/dbraw/zinc/62/69/52/588626952.db2.gz NACSTUPZBXACLX-MQPMOYQSSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851779433 588626953 /nfs/dbraw/zinc/62/69/53/588626953.db2.gz NACSTUPZBXACLX-MQPMOYQSSA-N 1 2 245.344 0.533 20 0 BCADLO O[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccn1 ZINC000851793826 588629054 /nfs/dbraw/zinc/62/90/54/588629054.db2.gz KXQHKXNRUJKGQS-NTZNESFSSA-N 1 2 234.299 0.978 20 0 BCADLO O[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccn1 ZINC000851793826 588629055 /nfs/dbraw/zinc/62/90/55/588629055.db2.gz KXQHKXNRUJKGQS-NTZNESFSSA-N 1 2 234.299 0.978 20 0 BCADLO CN1CC[N@H+](CCOC(F)F)C(C)(C)C1=O ZINC000851808392 588631787 /nfs/dbraw/zinc/63/17/87/588631787.db2.gz NBUVWXHOQYDGAJ-UHFFFAOYSA-N 1 2 236.262 0.778 20 0 BCADLO CN1CC[N@@H+](CCOC(F)F)C(C)(C)C1=O ZINC000851808392 588631788 /nfs/dbraw/zinc/63/17/88/588631788.db2.gz NBUVWXHOQYDGAJ-UHFFFAOYSA-N 1 2 236.262 0.778 20 0 BCADLO O=C1C[N@@H+](CCOC(F)F)[C@H]2CCCC[C@H]2N1 ZINC000851808799 588631950 /nfs/dbraw/zinc/63/19/50/588631950.db2.gz QBEPGYWUNJUSMY-BDAKNGLRSA-N 1 2 248.273 0.969 20 0 BCADLO O=C1C[N@H+](CCOC(F)F)[C@H]2CCCC[C@H]2N1 ZINC000851808799 588631951 /nfs/dbraw/zinc/63/19/51/588631951.db2.gz QBEPGYWUNJUSMY-BDAKNGLRSA-N 1 2 248.273 0.969 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cnon2)C1 ZINC000851810518 588632264 /nfs/dbraw/zinc/63/22/64/588632264.db2.gz IBROSUNNSSBOQC-SNVBAGLBSA-N 1 2 225.248 0.455 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cnon2)C1 ZINC000851810518 588632265 /nfs/dbraw/zinc/63/22/65/588632265.db2.gz IBROSUNNSSBOQC-SNVBAGLBSA-N 1 2 225.248 0.455 20 0 BCADLO c1nonc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000851816462 588633156 /nfs/dbraw/zinc/63/31/56/588633156.db2.gz HEHHMTYGKJQHSR-ZJUUUORDSA-N 1 2 241.316 0.776 20 0 BCADLO c1nonc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000851816462 588633157 /nfs/dbraw/zinc/63/31/57/588633157.db2.gz HEHHMTYGKJQHSR-ZJUUUORDSA-N 1 2 241.316 0.776 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CCC(=O)O2)no1 ZINC000851839879 588633836 /nfs/dbraw/zinc/63/38/36/588633836.db2.gz HEGIVRYNGNXLRQ-QMMMGPOBSA-N 1 2 239.275 0.908 20 0 BCADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)co1 ZINC000851878063 588638815 /nfs/dbraw/zinc/63/88/15/588638815.db2.gz ZSXXCKBOLUNBBL-DTWKUNHWSA-N 1 2 242.300 0.521 20 0 BCADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@H]3C[C@H]32)co1 ZINC000851878063 588638816 /nfs/dbraw/zinc/63/88/16/588638816.db2.gz ZSXXCKBOLUNBBL-DTWKUNHWSA-N 1 2 242.300 0.521 20 0 BCADLO Cn1c[nH+]c(CN2CCOC[C@@H]2CCO)c1 ZINC000851879086 588639124 /nfs/dbraw/zinc/63/91/24/588639124.db2.gz VABGCTDIPWJCMS-NSHDSACASA-N 1 2 225.292 0.003 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@H+]2CCc2c[nH]nn2)n1 ZINC000851887223 588640565 /nfs/dbraw/zinc/64/05/65/588640565.db2.gz MYMXFELKTDWQIA-SNVBAGLBSA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCc2c[nH]nn2)n1 ZINC000851887223 588640566 /nfs/dbraw/zinc/64/05/66/588640566.db2.gz MYMXFELKTDWQIA-SNVBAGLBSA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@H+]2CCc2cn[nH]n2)n1 ZINC000851887223 588640567 /nfs/dbraw/zinc/64/05/67/588640567.db2.gz MYMXFELKTDWQIA-SNVBAGLBSA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCc2cn[nH]n2)n1 ZINC000851887223 588640568 /nfs/dbraw/zinc/64/05/68/588640568.db2.gz MYMXFELKTDWQIA-SNVBAGLBSA-N 1 2 232.291 0.907 20 0 BCADLO CCONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000851919153 588643584 /nfs/dbraw/zinc/64/35/84/588643584.db2.gz GWHSCJOQAMHIPQ-ZETCQYMHSA-N 1 2 212.253 0.732 20 0 BCADLO OCCCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000851921324 588643854 /nfs/dbraw/zinc/64/38/54/588643854.db2.gz NXAMCZFBYGXQNO-UHFFFAOYSA-N 1 2 238.335 0.832 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935993 588645907 /nfs/dbraw/zinc/64/59/07/588645907.db2.gz HVJBMRRPODFMKX-IUCAKERBSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935993 588645908 /nfs/dbraw/zinc/64/59/08/588645908.db2.gz HVJBMRRPODFMKX-IUCAKERBSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935993 588645909 /nfs/dbraw/zinc/64/59/09/588645909.db2.gz HVJBMRRPODFMKX-IUCAKERBSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935993 588645910 /nfs/dbraw/zinc/64/59/10/588645910.db2.gz HVJBMRRPODFMKX-IUCAKERBSA-N 1 2 238.291 0.367 20 0 BCADLO COCC1=CC[N@H+](Cc2cnon2)CC1 ZINC000851950805 588647161 /nfs/dbraw/zinc/64/71/61/588647161.db2.gz RVNHASLIFNTOGE-UHFFFAOYSA-N 1 2 209.249 0.848 20 0 BCADLO COCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC000851950805 588647162 /nfs/dbraw/zinc/64/71/62/588647162.db2.gz RVNHASLIFNTOGE-UHFFFAOYSA-N 1 2 209.249 0.848 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCC1=O 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CCn1ncc(C[N@H+]2CC[C@](O)(C(F)F)C2)n1 ZINC000852123311 588665410 /nfs/dbraw/zinc/66/54/10/588665410.db2.gz ODYVJGIBCPCGOV-SNVBAGLBSA-N 1 2 246.261 0.500 20 0 BCADLO CCc1nocc1C[NH+]1CCN(OC)CC1 ZINC000852143976 588666861 /nfs/dbraw/zinc/66/68/61/588666861.db2.gz JVKJEIMJDQQBLW-UHFFFAOYSA-N 1 2 225.292 0.916 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000852164770 588669029 /nfs/dbraw/zinc/66/90/29/588669029.db2.gz QRZCQRYWFLITOK-IUCAKERBSA-N 1 2 210.306 0.505 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000852164770 588669030 /nfs/dbraw/zinc/66/90/30/588669030.db2.gz QRZCQRYWFLITOK-IUCAKERBSA-N 1 2 210.306 0.505 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000852189788 588670892 /nfs/dbraw/zinc/67/08/92/588670892.db2.gz BNSAFQJFWHHQTR-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000852189788 588670893 /nfs/dbraw/zinc/67/08/93/588670893.db2.gz BNSAFQJFWHHQTR-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1COC(C)(C)O1 ZINC000852287149 588674758 /nfs/dbraw/zinc/67/47/58/588674758.db2.gz BFOFNOYAPFFTAV-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1COC(C)(C)O1 ZINC000852287149 588674759 /nfs/dbraw/zinc/67/47/59/588674759.db2.gz BFOFNOYAPFFTAV-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1COC(C)(C)O1 ZINC000852287149 588674760 /nfs/dbraw/zinc/67/47/60/588674760.db2.gz BFOFNOYAPFFTAV-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1COC(C)(C)O1 ZINC000852287149 588674761 /nfs/dbraw/zinc/67/47/61/588674761.db2.gz BFOFNOYAPFFTAV-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCC(=O)O1 ZINC000852289155 588676360 /nfs/dbraw/zinc/67/63/60/588676360.db2.gz YZOSLXCAODDPKQ-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCC(=O)O1 ZINC000852289155 588676361 /nfs/dbraw/zinc/67/63/61/588676361.db2.gz YZOSLXCAODDPKQ-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCC(=O)O1 ZINC000852289155 588676362 /nfs/dbraw/zinc/67/63/62/588676362.db2.gz YZOSLXCAODDPKQ-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCC(=O)O1 ZINC000852289155 588676363 /nfs/dbraw/zinc/67/63/63/588676363.db2.gz YZOSLXCAODDPKQ-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852296603 588677424 /nfs/dbraw/zinc/67/74/24/588677424.db2.gz YZYBEBIGZBZGTQ-UHFFFAOYSA-N 1 2 247.302 0.185 20 0 BCADLO Cn1ncc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852296603 588677425 /nfs/dbraw/zinc/67/74/25/588677425.db2.gz YZYBEBIGZBZGTQ-UHFFFAOYSA-N 1 2 247.302 0.185 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2C=CCC2)c1 ZINC000852378093 588680375 /nfs/dbraw/zinc/68/03/75/588680375.db2.gz XVNIBLTVRPANGS-SNVBAGLBSA-N 1 2 234.303 0.980 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CCC(=O)O1 ZINC000852443464 588682906 /nfs/dbraw/zinc/68/29/06/588682906.db2.gz LIBWPTAXCDARCO-XEVUQIKYSA-N 1 2 239.271 0.329 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CCC(=O)O1 ZINC000852443464 588682907 /nfs/dbraw/zinc/68/29/07/588682907.db2.gz LIBWPTAXCDARCO-XEVUQIKYSA-N 1 2 239.271 0.329 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NC1CCCC1 ZINC000852484386 588685155 /nfs/dbraw/zinc/68/51/55/588685155.db2.gz BWCVQDHLSNCDJD-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NC1CCCC1 ZINC000852484386 588685156 /nfs/dbraw/zinc/68/51/56/588685156.db2.gz BWCVQDHLSNCDJD-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO CCC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000852553345 588689738 /nfs/dbraw/zinc/68/97/38/588689738.db2.gz PMYLJARTFFYDAR-UHFFFAOYSA-N 1 2 210.281 0.616 20 0 BCADLO CC[C@@H]([NH2+]C)C(=O)N=c1sccn1C ZINC000852784057 588702197 /nfs/dbraw/zinc/70/21/97/588702197.db2.gz BOWFODKPDNHKHT-SSDOTTSWSA-N 1 2 213.306 0.512 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCCO1 ZINC000118394223 589169342 /nfs/dbraw/zinc/16/93/42/589169342.db2.gz DABPQZCDMFIDAL-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000118394223 589169343 /nfs/dbraw/zinc/16/93/43/589169343.db2.gz DABPQZCDMFIDAL-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1COCO1 ZINC000861980680 589189230 /nfs/dbraw/zinc/18/92/30/589189230.db2.gz HQWFLDADZNTEQX-SCZZXKLOSA-N 1 2 239.275 0.077 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1COCO1 ZINC000861980680 589189232 /nfs/dbraw/zinc/18/92/32/589189232.db2.gz HQWFLDADZNTEQX-SCZZXKLOSA-N 1 2 239.275 0.077 20 0 BCADLO CC(C)[C@H](NC=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000862153307 589193115 /nfs/dbraw/zinc/19/31/15/589193115.db2.gz UOXMRVGBBIJIKP-JTQLQIEISA-N 1 2 238.291 0.139 20 0 BCADLO CC(C)[C@H](NC=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000862153307 589193116 /nfs/dbraw/zinc/19/31/16/589193116.db2.gz UOXMRVGBBIJIKP-JTQLQIEISA-N 1 2 238.291 0.139 20 0 BCADLO Cc1c[nH]c(CN(C)CCS(C)(=O)=O)[nH+]1 ZINC000862222346 589195257 /nfs/dbraw/zinc/19/52/57/589195257.db2.gz VSXRTGRNKRNORG-UHFFFAOYSA-N 1 2 231.321 0.195 20 0 BCADLO COC(=O)[C@@]1(F)CCN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000862252491 589197241 /nfs/dbraw/zinc/19/72/41/589197241.db2.gz VHQKYXXDPGMCJB-LLVKDONJSA-N 1 2 241.266 0.805 20 0 BCADLO OCC[NH+](CCO)Cc1coc(C2CC2)n1 ZINC000862430000 589212483 /nfs/dbraw/zinc/21/24/83/589212483.db2.gz NKRWARRAVUNBKD-UHFFFAOYSA-N 1 2 226.276 0.339 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1csnn1 ZINC000862542334 589218766 /nfs/dbraw/zinc/21/87/66/589218766.db2.gz MMMXNFFAMDACBS-ZCFIWIBFSA-N 1 2 230.293 0.036 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000862542746 589218774 /nfs/dbraw/zinc/21/87/74/589218774.db2.gz ZCTKLUHNFAIAIR-SSDOTTSWSA-N 1 2 227.264 0.481 20 0 BCADLO COC[C@H]1CCCN1NC(=O)Cc1[nH]cc[nH+]1 ZINC000862592761 589226814 /nfs/dbraw/zinc/22/68/14/589226814.db2.gz ZRXDWWSHZGRWCH-SECBINFHSA-N 1 2 238.291 0.094 20 0 BCADLO COC(=O)C1=CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862659724 589231055 /nfs/dbraw/zinc/23/10/55/589231055.db2.gz VSGAWSRMVFOEDW-SECBINFHSA-N 1 2 249.270 0.330 20 0 BCADLO COC(=O)C1=CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000862666378 589231687 /nfs/dbraw/zinc/23/16/87/589231687.db2.gz JAMFNMYXOBUZTO-VIFPVBQESA-N 1 2 249.270 0.710 20 0 BCADLO O=C(Nn1cccn1)[C@H]1CCc2c[nH+]cn2C1 ZINC000862769381 589240171 /nfs/dbraw/zinc/24/01/71/589240171.db2.gz DUABXPCCJPAHFR-VIFPVBQESA-N 1 2 231.259 0.412 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nn1cccn1)CC2 ZINC000862771957 589240684 /nfs/dbraw/zinc/24/06/84/589240684.db2.gz NKHHIVMKEFIUEN-JTQLQIEISA-N 1 2 245.286 0.721 20 0 BCADLO CC(C)CC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000862780281 589241650 /nfs/dbraw/zinc/24/16/50/589241650.db2.gz PTDMNUULYPFGJS-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1OCCO1)C(C)C ZINC000119158975 589246075 /nfs/dbraw/zinc/24/60/75/589246075.db2.gz FDJBADRGURTPDU-JTQLQIEISA-N 1 2 231.292 0.537 20 0 BCADLO CCC/C=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862968923 589249568 /nfs/dbraw/zinc/24/95/68/589249568.db2.gz GVWXRAVIXKWUEA-QRGHLMKCSA-N 1 2 226.320 0.790 20 0 BCADLO CCC/C=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862968923 589249569 /nfs/dbraw/zinc/24/95/69/589249569.db2.gz GVWXRAVIXKWUEA-QRGHLMKCSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=C(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862972087 589249788 /nfs/dbraw/zinc/24/97/88/589249788.db2.gz YEDLUULCIYGFBW-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=C(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862972087 589249790 /nfs/dbraw/zinc/24/97/90/589249790.db2.gz YEDLUULCIYGFBW-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC000862970219 589250278 /nfs/dbraw/zinc/25/02/78/589250278.db2.gz WSAUQQAIJHGHHT-QMMMGPOBSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC000862970219 589250279 /nfs/dbraw/zinc/25/02/79/589250279.db2.gz WSAUQQAIJHGHHT-QMMMGPOBSA-N 1 2 248.273 0.479 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971089 589250293 /nfs/dbraw/zinc/25/02/93/589250293.db2.gz IURJKGVDKZMSGE-KXGOJYIESA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971089 589250294 /nfs/dbraw/zinc/25/02/94/589250294.db2.gz IURJKGVDKZMSGE-KXGOJYIESA-N 1 2 224.304 0.566 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC000862972043 589250330 /nfs/dbraw/zinc/25/03/30/589250330.db2.gz XSZKQELVQMRENR-QMAVJUDZSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC000862972043 589250331 /nfs/dbraw/zinc/25/03/31/589250331.db2.gz XSZKQELVQMRENR-QMAVJUDZSA-N 1 2 249.314 0.475 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304797 589277658 /nfs/dbraw/zinc/27/76/58/589277658.db2.gz AVMQMQBTWZUXAH-WDEREUQCSA-N 1 2 224.304 0.820 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304797 589277660 /nfs/dbraw/zinc/27/76/60/589277660.db2.gz AVMQMQBTWZUXAH-WDEREUQCSA-N 1 2 224.304 0.820 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC1CC(OC)C1 ZINC000863459298 589289837 /nfs/dbraw/zinc/28/98/37/589289837.db2.gz NUAYKIKSZINEMQ-JECWYVHBSA-N 1 2 202.254 0.697 20 0 BCADLO NC(CCO)=[NH+]OCc1cc(CO)ccc1F ZINC000863467624 589290609 /nfs/dbraw/zinc/29/06/09/589290609.db2.gz DDKPXCUYKZNMKN-UHFFFAOYSA-N 1 2 242.250 0.699 20 0 BCADLO COC1(C(N)=[NH+]OCC(=O)N(C)C)CCCC1 ZINC000863478222 589292291 /nfs/dbraw/zinc/29/22/91/589292291.db2.gz KVZGMSWWFHHYNB-UHFFFAOYSA-N 1 2 243.307 0.532 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCO)CCCO ZINC000119641559 589321547 /nfs/dbraw/zinc/32/15/47/589321547.db2.gz FOLVYTUCXBWAJG-SNVBAGLBSA-N 1 2 233.308 0.005 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCO)CCCO ZINC000119641559 589321549 /nfs/dbraw/zinc/32/15/49/589321549.db2.gz FOLVYTUCXBWAJG-SNVBAGLBSA-N 1 2 233.308 0.005 20 0 BCADLO COCc1nn(C[N@H+](C)CC(C)(C)C)c(=O)o1 ZINC000119727424 589327430 /nfs/dbraw/zinc/32/74/30/589327430.db2.gz OULYGZSZOJEKHP-UHFFFAOYSA-N 1 2 243.307 0.918 20 0 BCADLO COCc1nn(C[N@@H+](C)CC(C)(C)C)c(=O)o1 ZINC000119727424 589327431 /nfs/dbraw/zinc/32/74/31/589327431.db2.gz OULYGZSZOJEKHP-UHFFFAOYSA-N 1 2 243.307 0.918 20 0 BCADLO COC1C[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000863970916 589330155 /nfs/dbraw/zinc/33/01/55/589330155.db2.gz XDXPWNZDRFXPAQ-JQWIXIFHSA-N 1 2 229.320 0.229 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H]2C(=O)NCC2(C)C)n1 ZINC000864052181 589335242 /nfs/dbraw/zinc/33/52/42/589335242.db2.gz CWPIPGDONKPFHY-VIFPVBQESA-N 1 2 222.292 0.332 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000864064398 589337783 /nfs/dbraw/zinc/33/77/83/589337783.db2.gz UTZYDSDPXOBDAO-NQMVMOMDSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000864064398 589337785 /nfs/dbraw/zinc/33/77/85/589337785.db2.gz UTZYDSDPXOBDAO-NQMVMOMDSA-N 1 2 223.276 0.634 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](O)C(F)(F)C1 ZINC000864067547 589338149 /nfs/dbraw/zinc/33/81/49/589338149.db2.gz JIFNRQYGPGJFQX-MRVPVSSYSA-N 1 2 245.229 0.181 20 0 BCADLO CC1(C)OCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000864072939 589339465 /nfs/dbraw/zinc/33/94/65/589339465.db2.gz SDXVYXYKFPRGHP-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CC1(C)OCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000864072939 589339467 /nfs/dbraw/zinc/33/94/67/589339467.db2.gz SDXVYXYKFPRGHP-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000864078224 589340982 /nfs/dbraw/zinc/34/09/82/589340982.db2.gz VDBVNTPWMUSEJZ-XWEPSHTISA-N 1 2 209.249 0.246 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864078224 589340984 /nfs/dbraw/zinc/34/09/84/589340984.db2.gz VDBVNTPWMUSEJZ-XWEPSHTISA-N 1 2 209.249 0.246 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000864082452 589341526 /nfs/dbraw/zinc/34/15/26/589341526.db2.gz OGNSRHCIXOONKN-APOZVJGGSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000864082452 589341529 /nfs/dbraw/zinc/34/15/29/589341529.db2.gz OGNSRHCIXOONKN-APOZVJGGSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@H](O)c1cccc(N2CC(C)(C(N)=O)C2)[nH+]1 ZINC000864090459 589343624 /nfs/dbraw/zinc/34/36/24/589343624.db2.gz GHNHIOQZYBCEPF-QMMMGPOBSA-N 1 2 235.287 0.447 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(F)nn1 ZINC000864092792 589343966 /nfs/dbraw/zinc/34/39/66/589343966.db2.gz YDRIHNNRJYUJLP-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ccc(F)nn1 ZINC000864092792 589343968 /nfs/dbraw/zinc/34/39/68/589343968.db2.gz YDRIHNNRJYUJLP-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO CC(=O)CCn1cc(C[NH+]2CCCC2)nn1 ZINC000864094479 589344468 /nfs/dbraw/zinc/34/44/68/589344468.db2.gz ILGDOCHBRMJNLZ-UHFFFAOYSA-N 1 2 222.292 0.853 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864447948 589364292 /nfs/dbraw/zinc/36/42/92/589364292.db2.gz ZTIDITHDOBWPSX-PSASIEDQSA-N 1 2 223.276 0.844 20 0 BCADLO OCc1cc[nH+]c(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000125173408 589374891 /nfs/dbraw/zinc/37/48/91/589374891.db2.gz LGYXWOBGRJJANS-TUAOUCFPSA-N 1 2 234.299 0.781 20 0 BCADLO CSCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864538235 589376498 /nfs/dbraw/zinc/37/64/98/589376498.db2.gz ROCGANGWURVYJQ-IHWYPQMZSA-N 1 2 244.360 0.354 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864875722 589398774 /nfs/dbraw/zinc/39/87/74/589398774.db2.gz SFLJUDKFJSSTNH-JDEDCZITSA-N 1 2 238.331 0.647 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865117798 589409937 /nfs/dbraw/zinc/40/99/37/589409937.db2.gz SRQHONQQSNPBPH-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CC1(C)CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865152666 589411622 /nfs/dbraw/zinc/41/16/22/589411622.db2.gz QCCXHAMUAQFJAB-VIFPVBQESA-N 1 2 223.276 0.844 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C1CC1 ZINC000865156165 589411735 /nfs/dbraw/zinc/41/17/35/589411735.db2.gz CCFJBDMHNUNFRT-GHMZBOCLSA-N 1 2 235.287 0.844 20 0 BCADLO CNC(=S)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000865272256 589417757 /nfs/dbraw/zinc/41/77/57/589417757.db2.gz JMGHNRVFFARPET-UHFFFAOYSA-N 1 2 225.321 0.245 20 0 BCADLO CNC(=S)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865272256 589417758 /nfs/dbraw/zinc/41/77/58/589417758.db2.gz JMGHNRVFFARPET-UHFFFAOYSA-N 1 2 225.321 0.245 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cn1nc(CO)n(C)c1=S ZINC000120550866 589434266 /nfs/dbraw/zinc/43/42/66/589434266.db2.gz FTLBTFZQFGSTTK-MRVPVSSYSA-N 1 2 242.348 0.885 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cn1nc(CO)n(C)c1=S ZINC000120550866 589434267 /nfs/dbraw/zinc/43/42/67/589434267.db2.gz FTLBTFZQFGSTTK-MRVPVSSYSA-N 1 2 242.348 0.885 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ccc(F)nn1 ZINC000865416160 589434397 /nfs/dbraw/zinc/43/43/97/589434397.db2.gz TYOFDYKGOXVZSR-UHFFFAOYSA-N 1 2 221.239 0.986 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ccc(F)nn2)C1 ZINC000865483133 589440174 /nfs/dbraw/zinc/44/01/74/589440174.db2.gz FHWGURVCGNIKAE-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ccc(F)nn2)C1 ZINC000865483133 589440175 /nfs/dbraw/zinc/44/01/75/589440175.db2.gz FHWGURVCGNIKAE-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO Nc1nc(N2CC[C@H](O)C2)nc(C2CCCC2)[nH+]1 ZINC000865507705 589442141 /nfs/dbraw/zinc/44/21/41/589442141.db2.gz GHVLWPYQMBKKSQ-VIFPVBQESA-N 1 2 249.318 0.682 20 0 BCADLO Nc1nc(C2CCCC2)[nH+]c(N2CC[C@H](O)C2)n1 ZINC000865507705 589442143 /nfs/dbraw/zinc/44/21/43/589442143.db2.gz GHVLWPYQMBKKSQ-VIFPVBQESA-N 1 2 249.318 0.682 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(F)nn1 ZINC000865509024 589442217 /nfs/dbraw/zinc/44/22/17/589442217.db2.gz JGWWOPVQEPGQCR-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1ccc(F)nn1 ZINC000865509024 589442218 /nfs/dbraw/zinc/44/22/18/589442218.db2.gz JGWWOPVQEPGQCR-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2ccc(F)nn2)C1 ZINC000865535072 589444153 /nfs/dbraw/zinc/44/41/53/589444153.db2.gz ORKDCAJPBDDSMB-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2ccc(F)nn2)C1 ZINC000865535072 589444154 /nfs/dbraw/zinc/44/41/54/589444154.db2.gz ORKDCAJPBDDSMB-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO C[C@@H](CF)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865579081 589448767 /nfs/dbraw/zinc/44/87/67/589448767.db2.gz RUYVBRRRTKDZQE-ONGXEEELSA-N 1 2 242.298 0.905 20 0 BCADLO Nc1nc(N2CC(CO)C2)nc(C2CCCC2)[nH+]1 ZINC000865673682 589455697 /nfs/dbraw/zinc/45/56/97/589455697.db2.gz IUCOSXRSZSRCAS-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO Nc1nc(C2CCCC2)[nH+]c(N2CC(CO)C2)n1 ZINC000865673682 589455698 /nfs/dbraw/zinc/45/56/98/589455698.db2.gz IUCOSXRSZSRCAS-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO CCc1cc(N2CC3(C2)CNC(=O)O3)nc[nH+]1 ZINC000865883983 589467196 /nfs/dbraw/zinc/46/71/96/589467196.db2.gz OGEFDYUTSRZYAA-UHFFFAOYSA-N 1 2 234.259 0.338 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865900935 589467718 /nfs/dbraw/zinc/46/77/18/589467718.db2.gz XEOQCMWTHGVDSZ-JMJZKYOTSA-N 1 2 238.287 0.961 20 0 BCADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCC1 ZINC000865981608 589471288 /nfs/dbraw/zinc/47/12/88/589471288.db2.gz MQYYFNHWZOTYGQ-JTQLQIEISA-N 1 2 223.276 0.844 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865995160 589471633 /nfs/dbraw/zinc/47/16/33/589471633.db2.gz WAQWANYVMWNHIB-APPZFPTMSA-N 1 2 241.316 0.407 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865995163 589471770 /nfs/dbraw/zinc/47/17/70/589471770.db2.gz WAQWANYVMWNHIB-VXNVDRBHSA-N 1 2 241.316 0.407 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000866109574 589476784 /nfs/dbraw/zinc/47/67/84/589476784.db2.gz IJVUCRXFPKRZOJ-PSASIEDQSA-N 1 2 237.303 0.816 20 0 BCADLO CN(C(=O)/C=C\C[NH+]1CCOCC1)C1CCC1 ZINC000866109468 589476882 /nfs/dbraw/zinc/47/68/82/589476882.db2.gz JCUFGWCWBZWNRM-UTCJRWHESA-N 1 2 238.331 0.886 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)[C@@H](C)O)[nH+]1 ZINC000866111111 589477017 /nfs/dbraw/zinc/47/70/17/589477017.db2.gz XPUHPJPDGHXIAY-HZGVNTEJSA-N 1 2 236.275 0.420 20 0 BCADLO CCCCc1cc(NC[C@@H](O)[C@H](C)O)nc[nH+]1 ZINC000866111395 589477100 /nfs/dbraw/zinc/47/71/00/589477100.db2.gz CUUQPLUYJGPXSF-GXSJLCMTSA-N 1 2 239.319 0.973 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866203582 589479790 /nfs/dbraw/zinc/47/97/90/589479790.db2.gz OHKFFZLNZJZABI-APPZFPTMSA-N 1 2 209.249 0.454 20 0 BCADLO Cn1nnnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000866292738 589484662 /nfs/dbraw/zinc/48/46/62/589484662.db2.gz QKWQVZSISOIEIA-UHFFFAOYSA-N 1 2 245.290 0.062 20 0 BCADLO CC(C)N(CC(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866747610 589517388 /nfs/dbraw/zinc/51/73/88/589517388.db2.gz XIBSZVKORDQEEU-VIFPVBQESA-N 1 2 247.245 0.945 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000867938497 589540630 /nfs/dbraw/zinc/54/06/30/589540630.db2.gz JJRBQTKHZFEBHQ-OPVGQWETSA-N 1 2 238.331 0.884 20 0 BCADLO CC1=CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868003708 589543671 /nfs/dbraw/zinc/54/36/71/589543671.db2.gz DXALLFWQCRCBMH-JTQLQIEISA-N 1 2 221.260 0.622 20 0 BCADLO COc1cccnc1C(=O)NCc1c[nH+]cn1C ZINC000868412744 589557229 /nfs/dbraw/zinc/55/72/29/589557229.db2.gz GRECZVORULUATJ-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cc1nocc1C(=O)NCc1c[nH+]cn1C ZINC000868412868 589557804 /nfs/dbraw/zinc/55/78/04/589557804.db2.gz KCBWAPMGSBESPA-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)C1CSC1 ZINC000868621047 589568382 /nfs/dbraw/zinc/56/83/82/589568382.db2.gz OROYZHKQDVUACP-QMMMGPOBSA-N 1 2 223.301 0.807 20 0 BCADLO Cc1nnccc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620847 589568402 /nfs/dbraw/zinc/56/84/02/589568402.db2.gz KPYIOQITMSNWPX-SNVBAGLBSA-N 1 2 243.270 0.856 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H](F)C1 ZINC000868635488 589569866 /nfs/dbraw/zinc/56/98/66/589569866.db2.gz LDPHHMBMKNKQPV-FMBMQGQPSA-N 1 2 242.294 0.445 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NOC1CCC1 ZINC000868658685 589571160 /nfs/dbraw/zinc/57/11/60/589571160.db2.gz DSMSYLXUDMVTOP-DJWKRKHSSA-N 1 2 240.303 0.475 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC(CF)CF ZINC000868661831 589571583 /nfs/dbraw/zinc/57/15/83/589571583.db2.gz FRGAESXBTLBNIJ-UHFFFAOYSA-N 1 2 232.234 0.527 20 0 BCADLO COCCCCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868901286 589581906 /nfs/dbraw/zinc/58/19/06/589581906.db2.gz ORSQRWIXBLMIMZ-JTQLQIEISA-N 1 2 241.291 0.328 20 0 BCADLO CN(C[C@@H]1CC1(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869326380 589599181 /nfs/dbraw/zinc/59/91/81/589599181.db2.gz RZSJWCZQMIFCMI-WCBMZHEXSA-N 1 2 237.303 0.948 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(C1CC1)C1CC1 ZINC000869421131 589604751 /nfs/dbraw/zinc/60/47/51/589604751.db2.gz OTPGAXAULMSEFK-JTQLQIEISA-N 1 2 221.260 0.597 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCC(C)=O)C[C@@H](C)O1 ZINC000123418565 589704297 /nfs/dbraw/zinc/70/42/97/589704297.db2.gz VPTIQNHQNDNRIL-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCC(C)=O)C[C@@H](C)O1 ZINC000123418565 589704298 /nfs/dbraw/zinc/70/42/98/589704298.db2.gz VPTIQNHQNDNRIL-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO CC1(F)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000871075691 589721320 /nfs/dbraw/zinc/72/13/20/589721320.db2.gz IEDFJJDFTCQOKN-SECBINFHSA-N 1 2 241.266 0.794 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)C ZINC000871598013 589772108 /nfs/dbraw/zinc/77/21/08/589772108.db2.gz ZLMFTALLQHVJNG-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)C ZINC000871598013 589772111 /nfs/dbraw/zinc/77/21/11/589772111.db2.gz ZLMFTALLQHVJNG-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO Cc1nnnn1Cc1[nH+]ccn1CC(F)F ZINC000871658043 589784189 /nfs/dbraw/zinc/78/41/89/589784189.db2.gz NLSJMMXKCNIXOV-UHFFFAOYSA-N 1 2 228.206 0.491 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCOC[C@H]1CC ZINC000871688346 589791825 /nfs/dbraw/zinc/79/18/25/589791825.db2.gz JGJMXEVULHRYMO-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCOC[C@H]1CC ZINC000871688346 589791826 /nfs/dbraw/zinc/79/18/26/589791826.db2.gz JGJMXEVULHRYMO-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCO[C@H]1C ZINC000871735926 589801332 /nfs/dbraw/zinc/80/13/32/589801332.db2.gz ZZQFROSXEIEBLC-DJLDLDEBSA-N 1 2 216.281 0.945 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@@H]1COCCO1 ZINC000871778634 589813769 /nfs/dbraw/zinc/81/37/69/589813769.db2.gz QTUYWWMUNYMHAU-JTQLQIEISA-N 1 2 244.291 0.469 20 0 BCADLO CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C(=O)OC ZINC000871906848 589831071 /nfs/dbraw/zinc/83/10/71/589831071.db2.gz PTHXNKBVTXQMRE-KUYXLPFXSA-N 1 2 239.315 0.951 20 0 BCADLO CC(C)(O)C[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000871981653 589851988 /nfs/dbraw/zinc/85/19/88/589851988.db2.gz HEFLGCYNTSPZMF-ZETCQYMHSA-N 1 2 239.262 0.432 20 0 BCADLO COC[C@H](C)[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000872097915 589869424 /nfs/dbraw/zinc/86/94/24/589869424.db2.gz CUDYALVYXYNEDY-VFZGTOFNSA-N 1 2 235.353 0.230 20 0 BCADLO COC[C@H](C)[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000872097912 589869441 /nfs/dbraw/zinc/86/94/41/589869441.db2.gz CUDYALVYXYNEDY-BJOHPYRUSA-N 1 2 235.353 0.230 20 0 BCADLO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000872201220 589890188 /nfs/dbraw/zinc/89/01/88/589890188.db2.gz SSIVSGOADFYQIE-SECBINFHSA-N 1 2 213.281 0.021 20 0 BCADLO CN1CC[N@@H+]([C@H]2CCNC2=O)Cc2cccnc21 ZINC000872317821 589910701 /nfs/dbraw/zinc/91/07/01/589910701.db2.gz CERKEJNVJICELT-NSHDSACASA-N 1 2 246.314 0.222 20 0 BCADLO CN1CC[N@H+]([C@H]2CCNC2=O)Cc2cccnc21 ZINC000872317821 589910703 /nfs/dbraw/zinc/91/07/03/589910703.db2.gz CERKEJNVJICELT-NSHDSACASA-N 1 2 246.314 0.222 20 0 BCADLO O=C1CC2(COC2)CN1C[NH+]1CCSCC1 ZINC000872563135 589950905 /nfs/dbraw/zinc/95/09/05/589950905.db2.gz NWCFNAMJNHPWBM-UHFFFAOYSA-N 1 2 242.344 0.242 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)CC(C)(C)S(C)(=O)=O ZINC000124279669 589972039 /nfs/dbraw/zinc/97/20/39/589972039.db2.gz TYNXRWHVGNVJIX-UHFFFAOYSA-N 1 2 245.348 0.665 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2ccon2)C1 ZINC000873081317 589983730 /nfs/dbraw/zinc/98/37/30/589983730.db2.gz AWHHBDLYAMXDHE-UHFFFAOYSA-N 1 2 211.221 0.215 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc(N)cn1 ZINC000873214173 589997011 /nfs/dbraw/zinc/99/70/11/589997011.db2.gz ZTNKRKAZYMHWEJ-UHFFFAOYSA-N 1 2 218.264 0.414 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1cnc(N)cn1 ZINC000873214173 589997013 /nfs/dbraw/zinc/99/70/13/589997013.db2.gz ZTNKRKAZYMHWEJ-UHFFFAOYSA-N 1 2 218.264 0.414 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)=O ZINC000873363830 590031325 /nfs/dbraw/zinc/03/13/25/590031325.db2.gz VFYNXBMPIHKKRY-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)=O ZINC000873363830 590031328 /nfs/dbraw/zinc/03/13/28/590031328.db2.gz VFYNXBMPIHKKRY-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO C[C@H](O)c1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000124900710 590098182 /nfs/dbraw/zinc/09/81/82/590098182.db2.gz NFNFILCNUBLNJA-QMMMGPOBSA-N 1 2 221.260 0.071 20 0 BCADLO CCN(CCO)c1ccc([C@H](C)O)c[nH+]1 ZINC000124920441 590098628 /nfs/dbraw/zinc/09/86/28/590098628.db2.gz MQGXTMSVJXMLRE-VIFPVBQESA-N 1 2 210.277 0.954 20 0 BCADLO C[C@@H](O)c1ccc(N(C)CC(N)=O)[nH+]c1 ZINC000124913209 590099032 /nfs/dbraw/zinc/09/90/32/590099032.db2.gz ZIZHHFSKWIUKOM-SSDOTTSWSA-N 1 2 209.249 0.056 20 0 BCADLO C[C@H](C(=O)Nc1n[nH]c(-c2ccco2)n1)[NH+](C)C ZINC000874329805 590104801 /nfs/dbraw/zinc/10/48/01/590104801.db2.gz DRTDLDDXXOHZFJ-SSDOTTSWSA-N 1 2 249.274 0.953 20 0 BCADLO C[C@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)[NH+](C)C ZINC000874329805 590104804 /nfs/dbraw/zinc/10/48/04/590104804.db2.gz DRTDLDDXXOHZFJ-SSDOTTSWSA-N 1 2 249.274 0.953 20 0 BCADLO Cc1nc(NC(=O)C[NH+]2CCCC2)n[nH]1 ZINC000874351440 590105886 /nfs/dbraw/zinc/10/58/86/590105886.db2.gz DRPKWGRRDUSEDJ-UHFFFAOYSA-N 1 2 209.253 0.147 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2CCCC2)[nH]1 ZINC000874351440 590105887 /nfs/dbraw/zinc/10/58/87/590105887.db2.gz DRPKWGRRDUSEDJ-UHFFFAOYSA-N 1 2 209.253 0.147 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CSC ZINC000874699354 590124397 /nfs/dbraw/zinc/12/43/97/590124397.db2.gz RGRKNZHHOREYQU-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CSC ZINC000874699354 590124398 /nfs/dbraw/zinc/12/43/98/590124398.db2.gz RGRKNZHHOREYQU-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C ZINC000874699571 590124524 /nfs/dbraw/zinc/12/45/24/590124524.db2.gz SOIGKTXWNONVIR-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C ZINC000874699571 590124525 /nfs/dbraw/zinc/12/45/25/590124525.db2.gz SOIGKTXWNONVIR-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1C ZINC000874708164 590124883 /nfs/dbraw/zinc/12/48/83/590124883.db2.gz SOIGKTXWNONVIR-SRVKXCTJSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1C ZINC000874708164 590124885 /nfs/dbraw/zinc/12/48/85/590124885.db2.gz SOIGKTXWNONVIR-SRVKXCTJSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CC=CC2)CCO1 ZINC000875194880 590161836 /nfs/dbraw/zinc/16/18/36/590161836.db2.gz NJRMGVSCBQTJDK-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC=CC2)CCO1 ZINC000875194880 590161838 /nfs/dbraw/zinc/16/18/38/590161838.db2.gz NJRMGVSCBQTJDK-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1[nH]cc[nH+]1 ZINC000125404668 590163733 /nfs/dbraw/zinc/16/37/33/590163733.db2.gz JCTKXNDEJSCIGJ-RITPCOANSA-N 1 2 240.288 0.412 20 0 BCADLO CC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCNC1=O ZINC000876522828 590208059 /nfs/dbraw/zinc/20/80/59/590208059.db2.gz DAGSWPNQJDSDFI-LBPRGKRZSA-N 1 2 248.286 0.519 20 0 BCADLO CCCn1cc(C[NH+]2CCC(CO)CC2)nn1 ZINC000876564439 590216452 /nfs/dbraw/zinc/21/64/52/590216452.db2.gz KKGRJWUBWDRTKY-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@@H](OC)C2)nn1 ZINC000876749871 590237223 /nfs/dbraw/zinc/23/72/23/590237223.db2.gz NEOUQMBYKRBPBM-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@@H](OC)C2)nn1 ZINC000876749871 590237225 /nfs/dbraw/zinc/23/72/25/590237225.db2.gz NEOUQMBYKRBPBM-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO COc1cncc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000877131827 590290603 /nfs/dbraw/zinc/29/06/03/590290603.db2.gz LXPKVXUDUHCSJT-SECBINFHSA-N 1 2 239.300 0.691 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2ccc(=O)[nH]c2)n1 ZINC000877411993 590324488 /nfs/dbraw/zinc/32/44/88/590324488.db2.gz SBCWPBWPIPIZNP-UHFFFAOYSA-N 1 2 249.274 0.526 20 0 BCADLO Cn1nnc(C[NH2+]C[C@@H]2CC2(Cl)Cl)n1 ZINC000877483221 590338186 /nfs/dbraw/zinc/33/81/86/590338186.db2.gz QCVKYGVPXYSTOT-YFKPBYRVSA-N 1 2 236.106 0.494 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)nn1 ZINC000877546454 590353198 /nfs/dbraw/zinc/35/31/98/590353198.db2.gz RHENSFREHHVLDF-GDNZZTSVSA-N 1 2 236.319 0.358 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)nn1 ZINC000877546454 590353200 /nfs/dbraw/zinc/35/32/00/590353200.db2.gz RHENSFREHHVLDF-GDNZZTSVSA-N 1 2 236.319 0.358 20 0 BCADLO Cn1ncc2cc(C[NH+]3CC(C)(O)C3)cnc21 ZINC000877580699 590366118 /nfs/dbraw/zinc/36/61/18/590366118.db2.gz HAWROMIJLCOECD-UHFFFAOYSA-N 1 2 232.287 0.535 20 0 BCADLO CC[C@](C)(C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596994 590370186 /nfs/dbraw/zinc/37/01/86/590370186.db2.gz WVLIOQQKYDBZMI-SNVBAGLBSA-N 1 2 228.292 0.596 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000877614040 590373615 /nfs/dbraw/zinc/37/36/15/590373615.db2.gz UDFMEKKWRDEFHW-RQJHMYQMSA-N 1 2 222.235 0.687 20 0 BCADLO CCOC(=O)C[NH2+][C@@](C)(CC(=O)OC)C1CC1 ZINC000877706209 590397238 /nfs/dbraw/zinc/39/72/38/590397238.db2.gz BZUTXAQNPSYTID-LBPRGKRZSA-N 1 2 243.303 0.871 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C[C@@H]1O ZINC000877748524 590412927 /nfs/dbraw/zinc/41/29/27/590412927.db2.gz DPBFDXWVYFABBI-NEPJUHHUSA-N 1 2 247.298 0.262 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C[C@@H]1O ZINC000877748524 590412929 /nfs/dbraw/zinc/41/29/29/590412929.db2.gz DPBFDXWVYFABBI-NEPJUHHUSA-N 1 2 247.298 0.262 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@@H](CC(C)C)OC)C1 ZINC000877770198 590419302 /nfs/dbraw/zinc/41/93/02/590419302.db2.gz BSEKYIOCNLSBKF-SNVBAGLBSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)C1(O)C[NH+](CCc2ccc(C)cc2)C1 ZINC000877771459 590421837 /nfs/dbraw/zinc/42/18/37/590421837.db2.gz ZVIOXOCPFFZULT-UHFFFAOYSA-N 1 2 249.310 0.757 20 0 BCADLO Cc1ccc(C[N@H+](C)CCS(N)(=O)=O)cn1 ZINC000877827455 590429372 /nfs/dbraw/zinc/42/93/72/590429372.db2.gz VSNOAZHACPBYAO-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1ccc(C[N@@H+](C)CCS(N)(=O)=O)cn1 ZINC000877827455 590429373 /nfs/dbraw/zinc/42/93/73/590429373.db2.gz VSNOAZHACPBYAO-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000877834168 590430925 /nfs/dbraw/zinc/43/09/25/590430925.db2.gz QDIAEXCMSUUIRD-UHFFFAOYSA-N 1 2 234.303 0.361 20 0 BCADLO CCc1ncc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000877834168 590430927 /nfs/dbraw/zinc/43/09/27/590430927.db2.gz QDIAEXCMSUUIRD-UHFFFAOYSA-N 1 2 234.303 0.361 20 0 BCADLO CC1(C)CCC[C@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000877906354 590444233 /nfs/dbraw/zinc/44/42/33/590444233.db2.gz PGADWZNOQNITOQ-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CC1(C)CCC[C@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000877906354 590444235 /nfs/dbraw/zinc/44/42/35/590444235.db2.gz PGADWZNOQNITOQ-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO O=C1CN(Cc2[nH+]ccn2CC(F)F)CCN1 ZINC000877906227 590444354 /nfs/dbraw/zinc/44/43/54/590444354.db2.gz KXKTYQYLUFGGBI-UHFFFAOYSA-N 1 2 244.245 0.080 20 0 BCADLO C[N@H+](CCO)Cc1nccn1CC(F)F ZINC000877950063 590454606 /nfs/dbraw/zinc/45/46/06/590454606.db2.gz VNLXWEKNTAKRAV-UHFFFAOYSA-N 1 2 219.235 0.572 20 0 BCADLO C[N@@H+](CCO)Cc1nccn1CC(F)F ZINC000877950063 590454608 /nfs/dbraw/zinc/45/46/08/590454608.db2.gz VNLXWEKNTAKRAV-UHFFFAOYSA-N 1 2 219.235 0.572 20 0 BCADLO Cc1conc1C[N@@H+](CC(N)=O)CC(C)C ZINC000877957008 590457813 /nfs/dbraw/zinc/45/78/13/590457813.db2.gz CJGNZBKJQSBWAK-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1conc1C[N@H+](CC(N)=O)CC(C)C ZINC000877957008 590457816 /nfs/dbraw/zinc/45/78/16/590457816.db2.gz CJGNZBKJQSBWAK-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO CCOC(=O)N[C@H]1CCC[N@H+](CC(C)=O)C1 ZINC000877962904 590459127 /nfs/dbraw/zinc/45/91/27/590459127.db2.gz AYYLWBARAXGZGK-JTQLQIEISA-N 1 2 228.292 0.786 20 0 BCADLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000877962904 590459129 /nfs/dbraw/zinc/45/91/29/590459129.db2.gz AYYLWBARAXGZGK-JTQLQIEISA-N 1 2 228.292 0.786 20 0 BCADLO Cn1ccn2c(C[N@H+](C)C3CC3)nnc2c1=O ZINC000877966458 590460529 /nfs/dbraw/zinc/46/05/29/590460529.db2.gz LOTOJAJNLLJLCW-UHFFFAOYSA-N 1 2 233.275 0.022 20 0 BCADLO Cn1ccn2c(C[N@@H+](C)C3CC3)nnc2c1=O ZINC000877966458 590460532 /nfs/dbraw/zinc/46/05/32/590460532.db2.gz LOTOJAJNLLJLCW-UHFFFAOYSA-N 1 2 233.275 0.022 20 0 BCADLO C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)CC1CC1 ZINC000877972842 590462911 /nfs/dbraw/zinc/46/29/11/590462911.db2.gz PYDLCAXMOZQNGF-UHFFFAOYSA-N 1 2 233.275 0.259 20 0 BCADLO C[N@H+](Cc1nnc2c(=O)[nH]ccn12)CC1CC1 ZINC000877972842 590462913 /nfs/dbraw/zinc/46/29/13/590462913.db2.gz PYDLCAXMOZQNGF-UHFFFAOYSA-N 1 2 233.275 0.259 20 0 BCADLO CC(C)CC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000877976727 590464490 /nfs/dbraw/zinc/46/44/90/590464490.db2.gz YSTUFXLZBNJUSF-UHFFFAOYSA-N 1 2 249.318 0.896 20 0 BCADLO CC(C)CC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000877976727 590464491 /nfs/dbraw/zinc/46/44/91/590464491.db2.gz YSTUFXLZBNJUSF-UHFFFAOYSA-N 1 2 249.318 0.896 20 0 BCADLO Cn1nnnc1CC[N@H+](C)Cc1cscn1 ZINC000877994979 590467201 /nfs/dbraw/zinc/46/72/01/590467201.db2.gz AHFTUFXZUGZCGR-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO Cn1nnnc1CC[N@@H+](C)Cc1cscn1 ZINC000877994979 590467202 /nfs/dbraw/zinc/46/72/02/590467202.db2.gz AHFTUFXZUGZCGR-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878040730 590478514 /nfs/dbraw/zinc/47/85/14/590478514.db2.gz MYZWPJXAEVMQGL-RHYQMDGZSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878040730 590478517 /nfs/dbraw/zinc/47/85/17/590478517.db2.gz MYZWPJXAEVMQGL-RHYQMDGZSA-N 1 2 238.331 0.764 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCc2ncnn21 ZINC000878046650 590480361 /nfs/dbraw/zinc/48/03/61/590480361.db2.gz HBQXHAMGNSXIAP-VIFPVBQESA-N 1 2 238.291 0.260 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCc2ncnn21 ZINC000878046650 590480362 /nfs/dbraw/zinc/48/03/62/590480362.db2.gz HBQXHAMGNSXIAP-VIFPVBQESA-N 1 2 238.291 0.260 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCC(=O)O1 ZINC000878081778 590488628 /nfs/dbraw/zinc/48/86/28/590488628.db2.gz QJRKTBLPKVXPKA-SECBINFHSA-N 1 2 249.270 0.315 20 0 BCADLO COCC[N@H+](CC[C@H](O)C(C)C)CC(=O)OC ZINC000878103562 590494754 /nfs/dbraw/zinc/49/47/54/590494754.db2.gz OXVUFOURRMJBCM-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO COCC[N@@H+](CC[C@H](O)C(C)C)CC(=O)OC ZINC000878103562 590494755 /nfs/dbraw/zinc/49/47/55/590494755.db2.gz OXVUFOURRMJBCM-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878126614 590501440 /nfs/dbraw/zinc/50/14/40/590501440.db2.gz XWACLPGTHBPVPT-VIFPVBQESA-N 1 2 245.273 0.962 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878126614 590501441 /nfs/dbraw/zinc/50/14/41/590501441.db2.gz XWACLPGTHBPVPT-VIFPVBQESA-N 1 2 245.273 0.962 20 0 BCADLO CN1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1=O ZINC000878126414 590501894 /nfs/dbraw/zinc/50/18/94/590501894.db2.gz XCJKHNHEDVQNLL-SRVKXCTJSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1=O ZINC000878126414 590501897 /nfs/dbraw/zinc/50/18/97/590501897.db2.gz XCJKHNHEDVQNLL-SRVKXCTJSA-N 1 2 238.331 0.718 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)CC(C)(C)O)C1CC1 ZINC000878175249 590516538 /nfs/dbraw/zinc/51/65/38/590516538.db2.gz ZHSCRXJODCJHSH-JTQLQIEISA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)CC(C)(C)O)C1CC1 ZINC000878175249 590516539 /nfs/dbraw/zinc/51/65/39/590516539.db2.gz ZHSCRXJODCJHSH-JTQLQIEISA-N 1 2 245.319 0.146 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COC1CC1 ZINC000878236983 590527329 /nfs/dbraw/zinc/52/73/29/590527329.db2.gz SOMOPKCSLWOCTL-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)O ZINC000878244467 590528059 /nfs/dbraw/zinc/52/80/59/590528059.db2.gz PUNGLIUVFZKAMW-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)O ZINC000878244467 590528061 /nfs/dbraw/zinc/52/80/61/590528061.db2.gz PUNGLIUVFZKAMW-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@H]1COCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000878298800 590537549 /nfs/dbraw/zinc/53/75/49/590537549.db2.gz LTWQHCACOCDRIJ-LLVKDONJSA-N 1 2 249.314 0.988 20 0 BCADLO C[C@H]1COCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000878298800 590537556 /nfs/dbraw/zinc/53/75/56/590537556.db2.gz LTWQHCACOCDRIJ-LLVKDONJSA-N 1 2 249.314 0.988 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)N=S(C)(C)=O)C1CC1 ZINC000878378640 590557105 /nfs/dbraw/zinc/55/71/05/590557105.db2.gz OZFPJEOFEWGFLF-SECBINFHSA-N 1 2 248.348 0.255 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CC(C)(C)O ZINC000878538217 590588713 /nfs/dbraw/zinc/58/87/13/590588713.db2.gz VNPAOYXLVGAYBH-RKDXNWHRSA-N 1 2 233.308 0.002 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)O ZINC000878538217 590588715 /nfs/dbraw/zinc/58/87/15/590588715.db2.gz VNPAOYXLVGAYBH-RKDXNWHRSA-N 1 2 233.308 0.002 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@@H](O)C(C)C ZINC000878541057 590589415 /nfs/dbraw/zinc/58/94/15/590589415.db2.gz JMQJBOLIZXUFCI-GARJFASQSA-N 1 2 247.310 0.979 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@@H](O)C(C)C ZINC000878541057 590589416 /nfs/dbraw/zinc/58/94/16/590589416.db2.gz JMQJBOLIZXUFCI-GARJFASQSA-N 1 2 247.310 0.979 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)COC2CC2)CCO1 ZINC000878592926 590594401 /nfs/dbraw/zinc/59/44/01/590594401.db2.gz VVGLEJBMVBSZTF-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)COC2CC2)CCO1 ZINC000878592926 590594402 /nfs/dbraw/zinc/59/44/02/590594402.db2.gz VVGLEJBMVBSZTF-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CCn2cnnn2)n1 ZINC000878615290 590596412 /nfs/dbraw/zinc/59/64/12/590596412.db2.gz WXXQYPQQQKKPKU-SECBINFHSA-N 1 2 249.278 0.202 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CCn2cnnn2)n1 ZINC000878615290 590596413 /nfs/dbraw/zinc/59/64/13/590596413.db2.gz WXXQYPQQQKKPKU-SECBINFHSA-N 1 2 249.278 0.202 20 0 BCADLO FC(F)C[C@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000878612288 590596476 /nfs/dbraw/zinc/59/64/76/590596476.db2.gz ZAYGRJNQJMEJII-QMMMGPOBSA-N 1 2 247.249 0.029 20 0 BCADLO FC(F)C[C@H]1COCC[N@H+]1CCn1cnnn1 ZINC000878612288 590596477 /nfs/dbraw/zinc/59/64/77/590596477.db2.gz ZAYGRJNQJMEJII-QMMMGPOBSA-N 1 2 247.249 0.029 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nocc3C)C[C@@H]21 ZINC000878642518 590599412 /nfs/dbraw/zinc/59/94/12/590599412.db2.gz ROVZMJAZWMTFMS-JZYVYDRUSA-N 1 2 236.271 0.834 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nocc3C)C[C@@H]21 ZINC000878642518 590599413 /nfs/dbraw/zinc/59/94/13/590599413.db2.gz ROVZMJAZWMTFMS-JZYVYDRUSA-N 1 2 236.271 0.834 20 0 BCADLO CC(=O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000878654135 590603038 /nfs/dbraw/zinc/60/30/38/590603038.db2.gz NYULDPKELXOFFO-UHFFFAOYSA-N 1 2 228.292 0.738 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC000878720583 590615645 /nfs/dbraw/zinc/61/56/45/590615645.db2.gz NKNWSJGAGVVDRP-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC000878720583 590615647 /nfs/dbraw/zinc/61/56/47/590615647.db2.gz NKNWSJGAGVVDRP-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878727271 590617224 /nfs/dbraw/zinc/61/72/24/590617224.db2.gz RLCHXJHKYRQBJX-LLVKDONJSA-N 1 2 228.336 0.905 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878727271 590617227 /nfs/dbraw/zinc/61/72/27/590617227.db2.gz RLCHXJHKYRQBJX-LLVKDONJSA-N 1 2 228.336 0.905 20 0 BCADLO CC(C)[C@H](O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726811 590617535 /nfs/dbraw/zinc/61/75/35/590617535.db2.gz VUHGFJIUFLBEGS-MRVPVSSYSA-N 1 2 229.280 0.614 20 0 BCADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726811 590617536 /nfs/dbraw/zinc/61/75/36/590617536.db2.gz VUHGFJIUFLBEGS-MRVPVSSYSA-N 1 2 229.280 0.614 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CCC=C(Cl)C1 ZINC000878790731 590622560 /nfs/dbraw/zinc/62/25/60/590622560.db2.gz UFTMWRRBLZWFJE-UHFFFAOYSA-N 1 2 238.740 0.364 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CCC=C(Cl)C1 ZINC000878790731 590622561 /nfs/dbraw/zinc/62/25/61/590622561.db2.gz UFTMWRRBLZWFJE-UHFFFAOYSA-N 1 2 238.740 0.364 20 0 BCADLO O=C1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C(=O)N1 ZINC000878792141 590623070 /nfs/dbraw/zinc/62/30/70/590623070.db2.gz WVMGBOQFXNLOTD-QMMMGPOBSA-N 1 2 228.679 0.620 20 0 BCADLO O=C1CC[C@H]([N@H+]2CCC=C(Cl)C2)C(=O)N1 ZINC000878792141 590623072 /nfs/dbraw/zinc/62/30/72/590623072.db2.gz WVMGBOQFXNLOTD-QMMMGPOBSA-N 1 2 228.679 0.620 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000878969069 590662672 /nfs/dbraw/zinc/66/26/72/590662672.db2.gz JJVQBZDXJXXAAG-ZETCQYMHSA-N 1 2 211.208 0.530 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000878969069 590662675 /nfs/dbraw/zinc/66/26/75/590662675.db2.gz JJVQBZDXJXXAAG-ZETCQYMHSA-N 1 2 211.208 0.530 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000878969660 590663228 /nfs/dbraw/zinc/66/32/28/590663228.db2.gz ZMOORQJOOLWCIV-RYUDHWBXSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000878969660 590663230 /nfs/dbraw/zinc/66/32/30/590663230.db2.gz ZMOORQJOOLWCIV-RYUDHWBXSA-N 1 2 238.287 0.420 20 0 BCADLO C[C@]1(C(F)F)C[N@H+](CCn2cnnn2)CCO1 ZINC000879008596 590677406 /nfs/dbraw/zinc/67/74/06/590677406.db2.gz IJUCNZICOKITOO-SECBINFHSA-N 1 2 247.249 0.029 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+](CCn2cnnn2)CCO1 ZINC000879008596 590677409 /nfs/dbraw/zinc/67/74/09/590677409.db2.gz IJUCNZICOKITOO-SECBINFHSA-N 1 2 247.249 0.029 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044219 590685312 /nfs/dbraw/zinc/68/53/12/590685312.db2.gz BEYLSVGDJGTICU-VXNVDRBHSA-N 1 2 246.282 0.083 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044217 590685474 /nfs/dbraw/zinc/68/54/74/590685474.db2.gz BEYLSVGDJGTICU-IONNQARKSA-N 1 2 246.282 0.083 20 0 BCADLO CCOC(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043402 590685988 /nfs/dbraw/zinc/68/59/88/590685988.db2.gz HFOXVMPHEULWQT-JTQLQIEISA-N 1 2 246.282 0.085 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC=C[C@@H]1CO ZINC000879072881 590691420 /nfs/dbraw/zinc/69/14/20/590691420.db2.gz LSBSPXNFFSLLND-SNVBAGLBSA-N 1 2 233.271 0.577 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)OC2=O)cc[nH+]1 ZINC000879069111 590691709 /nfs/dbraw/zinc/69/17/09/590691709.db2.gz KKQBYKSCDFWDAD-PSASIEDQSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CCC1OCCO1 ZINC000879188261 590709596 /nfs/dbraw/zinc/70/95/96/590709596.db2.gz JCEUCXQAHNQBBD-UHFFFAOYSA-N 1 2 225.292 0.913 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CCC1OCCO1 ZINC000879188261 590709597 /nfs/dbraw/zinc/70/95/97/590709597.db2.gz JCEUCXQAHNQBBD-UHFFFAOYSA-N 1 2 225.292 0.913 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cn(C)nn1 ZINC000879188411 590710125 /nfs/dbraw/zinc/71/01/25/590710125.db2.gz KSGPZHZVJMGGRM-UHFFFAOYSA-N 1 2 234.307 0.521 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CCc1cn(C)nn1 ZINC000879188411 590710128 /nfs/dbraw/zinc/71/01/28/590710128.db2.gz KSGPZHZVJMGGRM-UHFFFAOYSA-N 1 2 234.307 0.521 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnon2)[C@@](C)(CO)C1 ZINC000879261575 590724216 /nfs/dbraw/zinc/72/42/16/590724216.db2.gz MTLLSPJPIMXFHE-VHSXEESVSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnon2)[C@@](C)(CO)C1 ZINC000879261575 590724219 /nfs/dbraw/zinc/72/42/19/590724219.db2.gz MTLLSPJPIMXFHE-VHSXEESVSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnon2)[C@](C)(CO)C1 ZINC000879261576 590724990 /nfs/dbraw/zinc/72/49/90/590724990.db2.gz MTLLSPJPIMXFHE-ZJUUUORDSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnon2)[C@](C)(CO)C1 ZINC000879261576 590724991 /nfs/dbraw/zinc/72/49/91/590724991.db2.gz MTLLSPJPIMXFHE-ZJUUUORDSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nncn2C)C1 ZINC000879321275 590737014 /nfs/dbraw/zinc/73/70/14/590737014.db2.gz LYAQTSCWVSCEKX-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nncn2C)C1 ZINC000879321275 590737016 /nfs/dbraw/zinc/73/70/16/590737016.db2.gz LYAQTSCWVSCEKX-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319611 590740059 /nfs/dbraw/zinc/74/00/59/590740059.db2.gz AYLVFRZIXIYGAU-YUMQZZPRSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319611 590740062 /nfs/dbraw/zinc/74/00/62/590740062.db2.gz AYLVFRZIXIYGAU-YUMQZZPRSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nncn2C)C1 ZINC000879321273 590742381 /nfs/dbraw/zinc/74/23/81/590742381.db2.gz LYAQTSCWVSCEKX-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nncn2C)C1 ZINC000879321273 590742382 /nfs/dbraw/zinc/74/23/82/590742382.db2.gz LYAQTSCWVSCEKX-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000879324809 590744630 /nfs/dbraw/zinc/74/46/30/590744630.db2.gz JZPRCLHFNOUKEH-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000879324809 590744633 /nfs/dbraw/zinc/74/46/33/590744633.db2.gz JZPRCLHFNOUKEH-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)=O ZINC000879338325 590751229 /nfs/dbraw/zinc/75/12/29/590751229.db2.gz QWYYZSURQMVNPV-SNVBAGLBSA-N 1 2 227.308 0.359 20 0 BCADLO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(C)=O ZINC000879338325 590751231 /nfs/dbraw/zinc/75/12/31/590751231.db2.gz QWYYZSURQMVNPV-SNVBAGLBSA-N 1 2 227.308 0.359 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566147 590806812 /nfs/dbraw/zinc/80/68/12/590806812.db2.gz SHLYUPDGEMNFQD-RKDXNWHRSA-N 1 2 224.333 0.990 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566147 590806816 /nfs/dbraw/zinc/80/68/16/590806816.db2.gz SHLYUPDGEMNFQD-RKDXNWHRSA-N 1 2 224.333 0.990 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ncccc2Cl)C[C@@H]1O ZINC000879608399 590827333 /nfs/dbraw/zinc/82/73/33/590827333.db2.gz AUVSUDSQWYRCPK-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@@H]1O ZINC000879608399 590827338 /nfs/dbraw/zinc/82/73/38/590827338.db2.gz AUVSUDSQWYRCPK-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689692 590849974 /nfs/dbraw/zinc/84/99/74/590849974.db2.gz TXZYCMDWLQIUKI-NSHDSACASA-N 1 2 246.314 0.351 20 0 BCADLO NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689692 590849975 /nfs/dbraw/zinc/84/99/75/590849975.db2.gz TXZYCMDWLQIUKI-NSHDSACASA-N 1 2 246.314 0.351 20 0 BCADLO O=C(NCC(F)F)N[C@@H]1CCn2cc[nH+]c21 ZINC000879756025 590864341 /nfs/dbraw/zinc/86/43/41/590864341.db2.gz QFAXSSWVGBMJMS-ZCFIWIBFSA-N 1 2 230.218 0.892 20 0 BCADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCO)C1 ZINC000879766117 590865956 /nfs/dbraw/zinc/86/59/56/590865956.db2.gz UUWGCMBSPABFMP-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCO)C1 ZINC000879766117 590865953 /nfs/dbraw/zinc/86/59/53/590865953.db2.gz UUWGCMBSPABFMP-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO CC(=O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879938470 590892490 /nfs/dbraw/zinc/89/24/90/590892490.db2.gz HPYKXJSEHUCDBW-OAHLLOKOSA-N 1 2 233.337 0.175 20 0 BCADLO CSCC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879942469 590893806 /nfs/dbraw/zinc/89/38/06/590893806.db2.gz MMWURUQMFWTBDI-CQSZACIVSA-N 1 2 237.394 0.559 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCOC ZINC000879983106 590902572 /nfs/dbraw/zinc/90/25/72/590902572.db2.gz TXASBEBWUWHTEB-SNVBAGLBSA-N 1 2 215.293 0.954 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCO ZINC000879979439 590902811 /nfs/dbraw/zinc/90/28/11/590902811.db2.gz CVFXTUPAJSWAJE-SNVBAGLBSA-N 1 2 215.293 0.690 20 0 BCADLO O=C1C[N@H+](CCc2cscn2)CCCN1 ZINC000880142060 590941735 /nfs/dbraw/zinc/94/17/35/590941735.db2.gz XPBNXAORWLTXPJ-UHFFFAOYSA-N 1 2 225.317 0.508 20 0 BCADLO O=C1C[N@@H+](CCc2cscn2)CCCN1 ZINC000880142060 590941737 /nfs/dbraw/zinc/94/17/37/590941737.db2.gz XPBNXAORWLTXPJ-UHFFFAOYSA-N 1 2 225.317 0.508 20 0 BCADLO CC(C)(O)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000880147713 590944829 /nfs/dbraw/zinc/94/48/29/590944829.db2.gz HFYGHQSDPQBVBR-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000880147713 590944830 /nfs/dbraw/zinc/94/48/30/590944830.db2.gz HFYGHQSDPQBVBR-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000880305870 590998558 /nfs/dbraw/zinc/99/85/58/590998558.db2.gz ZTCDIXRLSOQOIX-SVRRBLITSA-N 1 2 240.225 0.513 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000880305870 590998559 /nfs/dbraw/zinc/99/85/59/590998559.db2.gz ZTCDIXRLSOQOIX-SVRRBLITSA-N 1 2 240.225 0.513 20 0 BCADLO O=C1CC[N@H+](Cc2ccncc2)C2(COC2)CN1 ZINC000880399443 591021536 /nfs/dbraw/zinc/02/15/36/591021536.db2.gz OBVZXSNWRYGFTG-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO O=C1CC[N@@H+](Cc2ccncc2)C2(COC2)CN1 ZINC000880399443 591021540 /nfs/dbraw/zinc/02/15/40/591021540.db2.gz OBVZXSNWRYGFTG-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO O=C1CC[N@@H+](C/C=C\Cl)C2(COC2)CN1 ZINC000880398702 591021691 /nfs/dbraw/zinc/02/16/91/591021691.db2.gz SAGACTDMRDCMCD-IWQZZHSRSA-N 1 2 230.695 0.330 20 0 BCADLO O=C1CC[N@H+](C/C=C\Cl)C2(COC2)CN1 ZINC000880398702 591021697 /nfs/dbraw/zinc/02/16/97/591021697.db2.gz SAGACTDMRDCMCD-IWQZZHSRSA-N 1 2 230.695 0.330 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417590 591026594 /nfs/dbraw/zinc/02/65/94/591026594.db2.gz PZSJRWTZSQDSTR-IQJOONFLSA-N 1 2 213.277 0.395 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417590 591026598 /nfs/dbraw/zinc/02/65/98/591026598.db2.gz PZSJRWTZSQDSTR-IQJOONFLSA-N 1 2 213.277 0.395 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417286 591026880 /nfs/dbraw/zinc/02/68/80/591026880.db2.gz KKVXRAGHIAPYJP-NHCYSSNCSA-N 1 2 227.304 0.785 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417286 591026885 /nfs/dbraw/zinc/02/68/85/591026885.db2.gz KKVXRAGHIAPYJP-NHCYSSNCSA-N 1 2 227.304 0.785 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880421201 591030102 /nfs/dbraw/zinc/03/01/02/591030102.db2.gz WYFQINWKZXVJEW-ZWNOBZJWSA-N 1 2 247.298 0.395 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880421201 591030107 /nfs/dbraw/zinc/03/01/07/591030107.db2.gz WYFQINWKZXVJEW-ZWNOBZJWSA-N 1 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HHCAIKNDPMRHCD-MRVPVSSYSA-N 1 2 209.249 0.365 20 0 BCADLO CCc1noc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880483521 591056825 /nfs/dbraw/zinc/05/68/25/591056825.db2.gz HHCAIKNDPMRHCD-MRVPVSSYSA-N 1 2 209.249 0.365 20 0 BCADLO COC(=O)c1coc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880486068 591062153 /nfs/dbraw/zinc/06/21/53/591062153.db2.gz KNQODNGEVORTAO-JTQLQIEISA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1coc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880486068 591062157 /nfs/dbraw/zinc/06/21/57/591062157.db2.gz KNQODNGEVORTAO-JTQLQIEISA-N 1 2 237.255 0.799 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC=C[C@@H]1CO ZINC000880486174 591062242 /nfs/dbraw/zinc/06/22/42/591062242.db2.gz LJFBAIFTPKQEAH-NXEZZACHSA-N 1 2 213.277 0.561 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC=C[C@@H]1CO ZINC000880486174 591062244 /nfs/dbraw/zinc/06/22/44/591062244.db2.gz LJFBAIFTPKQEAH-NXEZZACHSA-N 1 2 213.277 0.561 20 0 BCADLO COc1coc(C[N@@H+]2CC=C[C@H]2CO)cc1=O ZINC000880487685 591063818 /nfs/dbraw/zinc/06/38/18/591063818.db2.gz YHGZMFFDDLQALA-VIFPVBQESA-N 1 2 237.255 0.381 20 0 BCADLO COc1coc(C[N@H+]2CC=C[C@H]2CO)cc1=O ZINC000880487685 591063824 /nfs/dbraw/zinc/06/38/24/591063824.db2.gz YHGZMFFDDLQALA-VIFPVBQESA-N 1 2 237.255 0.381 20 0 BCADLO COc1coc(C[N@@H+]2CC=C[C@@H]2CO)cc1=O ZINC000880487684 591064984 /nfs/dbraw/zinc/06/49/84/591064984.db2.gz YHGZMFFDDLQALA-SECBINFHSA-N 1 2 237.255 0.381 20 0 BCADLO COc1coc(C[N@H+]2CC=C[C@@H]2CO)cc1=O ZINC000880487684 591064988 /nfs/dbraw/zinc/06/49/88/591064988.db2.gz YHGZMFFDDLQALA-SECBINFHSA-N 1 2 237.255 0.381 20 0 BCADLO O=C(C[N@H+]1CC=C[C@@H]1CO)Nc1ccc(O)cc1 ZINC000880487352 591064999 /nfs/dbraw/zinc/06/49/99/591064999.db2.gz YMWQEQIDQAJSLL-LLVKDONJSA-N 1 2 248.282 0.563 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)Nc1ccc(O)cc1 ZINC000880487352 591065004 /nfs/dbraw/zinc/06/50/04/591065004.db2.gz YMWQEQIDQAJSLL-LLVKDONJSA-N 1 2 248.282 0.563 20 0 BCADLO Cc1cnc(C[N@@H+]2CC=C[C@@H]2CO)nc1 ZINC000880488688 591067192 /nfs/dbraw/zinc/06/71/92/591067192.db2.gz KCWLELPKRBJCIH-SNVBAGLBSA-N 1 2 205.261 0.518 20 0 BCADLO Cc1cnc(C[N@H+]2CC=C[C@@H]2CO)nc1 ZINC000880488688 591067196 /nfs/dbraw/zinc/06/71/96/591067196.db2.gz KCWLELPKRBJCIH-SNVBAGLBSA-N 1 2 205.261 0.518 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC=C[C@@H]2CO)on1 ZINC000880491988 591068843 /nfs/dbraw/zinc/06/88/43/591068843.db2.gz MXKBOXFRYZYIPE-SECBINFHSA-N 1 2 222.244 0.610 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC=C[C@@H]2CO)on1 ZINC000880491988 591068847 /nfs/dbraw/zinc/06/88/47/591068847.db2.gz MXKBOXFRYZYIPE-SECBINFHSA-N 1 2 222.244 0.610 20 0 BCADLO COc1cc(C[N@@H+]2CC=C[C@H]2CO)on1 ZINC000880490853 591069123 /nfs/dbraw/zinc/06/91/23/591069123.db2.gz FBRREEOMQOHPHB-QMMMGPOBSA-N 1 2 210.233 0.416 20 0 BCADLO COc1cc(C[N@H+]2CC=C[C@H]2CO)on1 ZINC000880490853 591069129 /nfs/dbraw/zinc/06/91/29/591069129.db2.gz FBRREEOMQOHPHB-QMMMGPOBSA-N 1 2 210.233 0.416 20 0 BCADLO O=C1NCC[C@@H]2CCC[N@H+](Cc3ccno3)[C@@H]12 ZINC000880529774 591085813 /nfs/dbraw/zinc/08/58/13/591085813.db2.gz NBQPUVMUIVQWTI-GXSJLCMTSA-N 1 2 235.287 0.775 20 0 BCADLO O=C1NCC[C@@H]2CCC[N@@H+](Cc3ccno3)[C@@H]12 ZINC000880529774 591085816 /nfs/dbraw/zinc/08/58/16/591085816.db2.gz NBQPUVMUIVQWTI-GXSJLCMTSA-N 1 2 235.287 0.775 20 0 BCADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(C)on2)C1 ZINC000880559321 591091525 /nfs/dbraw/zinc/09/15/25/591091525.db2.gz MNNJNXRSFSNDOO-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000880559321 591091529 /nfs/dbraw/zinc/09/15/29/591091529.db2.gz MNNJNXRSFSNDOO-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nocc2C)C1 ZINC000880567756 591096551 /nfs/dbraw/zinc/09/65/51/591096551.db2.gz NLSBWLZJFRSIFQ-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nocc2C)C1 ZINC000880567756 591096556 /nfs/dbraw/zinc/09/65/56/591096556.db2.gz NLSBWLZJFRSIFQ-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO CC(C)C[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1C ZINC000880588012 591101798 /nfs/dbraw/zinc/10/17/98/591101798.db2.gz OQJVKIWTRSQCOQ-JTQLQIEISA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC1OCCO1 ZINC000880590675 591103453 /nfs/dbraw/zinc/10/34/53/591103453.db2.gz TULKHGSFRXRRIS-VIFPVBQESA-N 1 2 230.308 0.191 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC1OCCO1 ZINC000880590675 591103454 /nfs/dbraw/zinc/10/34/54/591103454.db2.gz TULKHGSFRXRRIS-VIFPVBQESA-N 1 2 230.308 0.191 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2ncncc2C1 ZINC000880593149 591104407 /nfs/dbraw/zinc/10/44/07/591104407.db2.gz OTOVTFMUIJMKMC-SECBINFHSA-N 1 2 246.314 0.502 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2ncncc2C1 ZINC000880593149 591104408 /nfs/dbraw/zinc/10/44/08/591104408.db2.gz OTOVTFMUIJMKMC-SECBINFHSA-N 1 2 246.314 0.502 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCc2ncncc2C1 ZINC000880593868 591105535 /nfs/dbraw/zinc/10/55/35/591105535.db2.gz GBSNIFTWVHPKIK-UHFFFAOYSA-N 1 2 248.286 0.287 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCc2ncncc2C1 ZINC000880593868 591105540 /nfs/dbraw/zinc/10/55/40/591105540.db2.gz GBSNIFTWVHPKIK-UHFFFAOYSA-N 1 2 248.286 0.287 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880592920 591105594 /nfs/dbraw/zinc/10/55/94/591105594.db2.gz GJUPQXKHETZOTO-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880592920 591105597 /nfs/dbraw/zinc/10/55/97/591105597.db2.gz GJUPQXKHETZOTO-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCc2ncncc2C1 ZINC000880599827 591109100 /nfs/dbraw/zinc/10/91/00/591109100.db2.gz RDSLYFQPELRPFP-GFCCVEGCSA-N 1 2 235.287 0.175 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCc2ncncc2C1 ZINC000880599827 591109104 /nfs/dbraw/zinc/10/91/04/591109104.db2.gz RDSLYFQPELRPFP-GFCCVEGCSA-N 1 2 235.287 0.175 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000880731888 591131566 /nfs/dbraw/zinc/13/15/66/591131566.db2.gz SFZQPRGNAPTTLL-MRVPVSSYSA-N 1 2 237.328 0.677 20 0 BCADLO CCN(C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880812870 591143744 /nfs/dbraw/zinc/14/37/44/591143744.db2.gz MGNPYMBFBWTFMG-UHFFFAOYSA-N 1 2 237.307 0.812 20 0 BCADLO CCN(C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880812870 591143746 /nfs/dbraw/zinc/14/37/46/591143746.db2.gz MGNPYMBFBWTFMG-UHFFFAOYSA-N 1 2 237.307 0.812 20 0 BCADLO CN(C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1CC1 ZINC000880815674 591144012 /nfs/dbraw/zinc/14/40/12/591144012.db2.gz UEUKOAXGPZIOCN-UHFFFAOYSA-N 1 2 249.318 0.955 20 0 BCADLO CN(C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1CC1 ZINC000880815674 591144015 /nfs/dbraw/zinc/14/40/15/591144015.db2.gz UEUKOAXGPZIOCN-UHFFFAOYSA-N 1 2 249.318 0.955 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000888851988 591153808 /nfs/dbraw/zinc/15/38/08/591153808.db2.gz CQIQOVMYQVCRBK-VHSXEESVSA-N 1 2 247.298 0.652 20 0 BCADLO Cn1cc(NC(=O)N[C@H]2CCn3cc[nH+]c32)nn1 ZINC000881211623 591172543 /nfs/dbraw/zinc/17/25/43/591172543.db2.gz DNIHXMCVUFHLAS-ZETCQYMHSA-N 1 2 247.262 0.278 20 0 BCADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)C(F)F ZINC000881274912 591177857 /nfs/dbraw/zinc/17/78/57/591177857.db2.gz LNLWXYKQUHCLDR-LURJTMIESA-N 1 2 232.234 0.873 20 0 BCADLO CC(C)(O)Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000881300536 591183113 /nfs/dbraw/zinc/18/31/13/591183113.db2.gz LNXMNWRXWZCXFY-UHFFFAOYSA-N 1 2 249.318 0.878 20 0 BCADLO C[C@@H](O)c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365995 591195876 /nfs/dbraw/zinc/19/58/76/591195876.db2.gz RJDFYGMHQHWVTC-SECBINFHSA-N 1 2 247.302 0.841 20 0 BCADLO C[C@H](O)c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365996 591196224 /nfs/dbraw/zinc/19/62/24/591196224.db2.gz RJDFYGMHQHWVTC-VIFPVBQESA-N 1 2 247.302 0.841 20 0 BCADLO C[N@H+](CCO)Cc1cn(C/C=C/Cl)nn1 ZINC000881427161 591204167 /nfs/dbraw/zinc/20/41/67/591204167.db2.gz DXLAPHVZNXMFPT-NSCUHMNNSA-N 1 2 230.699 0.455 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C/C=C/Cl)nn1 ZINC000881427161 591204169 /nfs/dbraw/zinc/20/41/69/591204169.db2.gz DXLAPHVZNXMFPT-NSCUHMNNSA-N 1 2 230.699 0.455 20 0 BCADLO O[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000211636684 591209276 /nfs/dbraw/zinc/20/92/76/591209276.db2.gz KDMBJRJMDPQSQZ-WHVBEXDMSA-N 1 2 212.076 0.343 20 0 BCADLO O[C@@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000211636684 591209277 /nfs/dbraw/zinc/20/92/77/591209277.db2.gz KDMBJRJMDPQSQZ-WHVBEXDMSA-N 1 2 212.076 0.343 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881672046 591263128 /nfs/dbraw/zinc/26/31/28/591263128.db2.gz RYIDFJDMKRCGJP-WDEREUQCSA-N 1 2 244.310 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881672046 591263129 /nfs/dbraw/zinc/26/31/29/591263129.db2.gz RYIDFJDMKRCGJP-WDEREUQCSA-N 1 2 244.310 0.525 20 0 BCADLO CCNC(=O)CNc1nc[nH+]c(C)c1C ZINC000881771314 591270230 /nfs/dbraw/zinc/27/02/30/591270230.db2.gz QEHCILXKENMHRF-UHFFFAOYSA-N 1 2 208.265 0.641 20 0 BCADLO Cc1[nH+]cnc(NCCS(C)(=O)=O)c1C ZINC000881833610 591273559 /nfs/dbraw/zinc/27/35/59/591273559.db2.gz CVROFDKZRQSQLM-UHFFFAOYSA-N 1 2 229.305 0.550 20 0 BCADLO OCc1cc[nH+]c(NC[C@H]2COCCO2)c1 ZINC000881830777 591273708 /nfs/dbraw/zinc/27/37/08/591273708.db2.gz JRENQUFAEXWAGE-JTQLQIEISA-N 1 2 224.260 0.401 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@H](C(N)=O)C2)c1C ZINC000881922773 591278851 /nfs/dbraw/zinc/27/88/51/591278851.db2.gz SZCKACOSRWGYQU-SECBINFHSA-N 1 2 220.276 0.405 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CCC2)C[C@H]1C ZINC000882015402 591288389 /nfs/dbraw/zinc/28/83/89/591288389.db2.gz UYIVLCLOEJOXHI-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CCC2)C[C@H]1C ZINC000882015402 591288391 /nfs/dbraw/zinc/28/83/91/591288391.db2.gz UYIVLCLOEJOXHI-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO O=S(=O)(C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000882055995 591291741 /nfs/dbraw/zinc/29/17/41/591291741.db2.gz YUIRIVPEWSWURE-UHFFFAOYSA-N 1 2 241.316 0.622 20 0 BCADLO COC[C@H](O)CCNc1nc[nH+]c(C)c1C ZINC000882144548 591305569 /nfs/dbraw/zinc/30/55/69/591305569.db2.gz HGFKZRXZBXIEHG-SNVBAGLBSA-N 1 2 225.292 0.903 20 0 BCADLO Cc1[nH+]cnc(NC[C@](C)(O)CO)c1C ZINC000882288182 591326448 /nfs/dbraw/zinc/32/64/48/591326448.db2.gz AJBMUEMRKKMZDB-JTQLQIEISA-N 1 2 211.265 0.249 20 0 BCADLO Cc1nc2nc(C)cc(N3CCCC[NH2+]3)n2n1 ZINC000882351246 591336975 /nfs/dbraw/zinc/33/69/75/591336975.db2.gz QOWMWGVIONUODS-UHFFFAOYSA-N 1 2 232.291 0.846 20 0 BCADLO O=S(=O)(CCNc1cc[nH+]cc1F)C1CC1 ZINC000882459356 591351692 /nfs/dbraw/zinc/35/16/92/591351692.db2.gz JOEKWMSGLBQHFN-UHFFFAOYSA-N 1 2 244.291 0.632 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC000882479817 591357804 /nfs/dbraw/zinc/35/78/04/591357804.db2.gz GSGCDUUVEFKGKT-QMMMGPOBSA-N 1 2 240.332 0.671 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC000882479817 591357807 /nfs/dbraw/zinc/35/78/07/591357807.db2.gz GSGCDUUVEFKGKT-QMMMGPOBSA-N 1 2 240.332 0.671 20 0 BCADLO O=C1OC[C@H]2CN(c3cc(CO)cc[nH+]3)C[C@@H]12 ZINC000882671342 591409102 /nfs/dbraw/zinc/40/91/02/591409102.db2.gz UADHSXDIHGPFLG-NXEZZACHSA-N 1 2 234.255 0.183 20 0 BCADLO Cc1[nH+]cnc(NC2CC(CO)(CO)C2)c1C ZINC000882667266 591409231 /nfs/dbraw/zinc/40/92/31/591409231.db2.gz YLFAKHZSRTXYGA-UHFFFAOYSA-N 1 2 237.303 0.639 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccoc1 ZINC000882764028 591428941 /nfs/dbraw/zinc/42/89/41/591428941.db2.gz HTIKQHBNEKCXFS-SECBINFHSA-N 1 2 244.316 0.652 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccoc1 ZINC000882764028 591428944 /nfs/dbraw/zinc/42/89/44/591428944.db2.gz HTIKQHBNEKCXFS-SECBINFHSA-N 1 2 244.316 0.652 20 0 BCADLO COC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(N)=O ZINC000130212145 591449148 /nfs/dbraw/zinc/44/91/48/591449148.db2.gz LRPHJRHPPKMPIJ-MRVPVSSYSA-N 1 2 238.291 0.512 20 0 BCADLO COc1cc(NC(=O)Cc2c[nH+]cn2C)n(C)n1 ZINC000882942845 591481227 /nfs/dbraw/zinc/48/12/27/591481227.db2.gz RXYSFTQRHAUYER-UHFFFAOYSA-N 1 2 249.274 0.343 20 0 BCADLO C[C@@H]1C[C@@H](CO[NH+]=C(N)CO)CCO1 ZINC000883012907 591512027 /nfs/dbraw/zinc/51/20/27/591512027.db2.gz XMLVWXHDMHPLSH-SFYZADRCSA-N 1 2 202.254 0.292 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCC[C@H](O)C(C)C ZINC000882981409 591490852 /nfs/dbraw/zinc/49/08/52/591490852.db2.gz KSBDKCBFYWAFJY-BDAKNGLRSA-N 1 2 218.297 0.927 20 0 BCADLO Cc1ccccc1NC(=O)CO[NH+]=C(N)CO ZINC000883009744 591509545 /nfs/dbraw/zinc/50/95/45/591509545.db2.gz RVQWHRUUTGJMJL-UHFFFAOYSA-N 1 2 237.259 0.424 20 0 BCADLO NC(CO)=[NH+]OCCOc1cccc(F)c1 ZINC000883010302 591511571 /nfs/dbraw/zinc/51/15/71/591511571.db2.gz KSZGWTLQJJOISH-UHFFFAOYSA-N 1 2 228.223 0.695 20 0 BCADLO NC(CO)=[NH+]OCCCC1CCOCC1 ZINC000883012364 591512216 /nfs/dbraw/zinc/51/22/16/591512216.db2.gz CRRRXUJCTMPDQD-UHFFFAOYSA-N 1 2 216.281 0.684 20 0 BCADLO NC(CO)=[NH+]OCc1ccc(CO)cc1 ZINC000883012189 591512223 /nfs/dbraw/zinc/51/22/23/591512223.db2.gz XBYANCFBYBYVID-UHFFFAOYSA-N 1 2 210.233 0.170 20 0 BCADLO NC(CO)=[NH+]OCc1ccc2c(c1)COC2 ZINC000883012096 591512256 /nfs/dbraw/zinc/51/22/56/591512256.db2.gz SZQXLSIKLUGPGK-UHFFFAOYSA-N 1 2 222.244 0.708 20 0 BCADLO CCc1cc(CCCO[NH+]=C(N)CO)on1 ZINC000883012414 591513128 /nfs/dbraw/zinc/51/31/28/591513128.db2.gz FJCRMRJSDOLWTJ-UHFFFAOYSA-N 1 2 227.264 0.660 20 0 BCADLO Cc1nc(CO[NH+]=C(N)CO)nc2ccccc12 ZINC000883012296 591513272 /nfs/dbraw/zinc/51/32/72/591513272.db2.gz AXOBZIVFVWAIKM-UHFFFAOYSA-N 1 2 246.270 0.929 20 0 BCADLO CO[C@@H](CO[NH+]=C(N)CO)C1CCCC1 ZINC000883013556 591514591 /nfs/dbraw/zinc/51/45/91/591514591.db2.gz RUZVZNCUCNNXQE-VIFPVBQESA-N 1 2 216.281 0.682 20 0 BCADLO CN1CC[C@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883048678 591528359 /nfs/dbraw/zinc/52/83/59/591528359.db2.gz TXELCFZVTGZGAO-JTQLQIEISA-N 1 2 233.271 0.764 20 0 BCADLO CCCCOC(=O)C[N@H+](C)[C@H](C)CO ZINC000131996597 591682578 /nfs/dbraw/zinc/68/25/78/591682578.db2.gz KUGSYMVFONCIKA-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)[C@H](C)CO ZINC000131996597 591682581 /nfs/dbraw/zinc/68/25/81/591682581.db2.gz KUGSYMVFONCIKA-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO COCC[N@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000132468539 591711274 /nfs/dbraw/zinc/71/12/74/591711274.db2.gz XKGZIDQVADPJCF-UHFFFAOYSA-N 1 2 246.332 0.996 20 0 BCADLO COCC[N@@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000132468539 591711276 /nfs/dbraw/zinc/71/12/76/591711276.db2.gz XKGZIDQVADPJCF-UHFFFAOYSA-N 1 2 246.332 0.996 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@](C)(CCO)COC ZINC000132544586 591717892 /nfs/dbraw/zinc/71/78/92/591717892.db2.gz MPTLTTSTXJTSSB-ZYHUDNBSSA-N 1 2 247.335 0.705 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000883960909 591783402 /nfs/dbraw/zinc/78/34/02/591783402.db2.gz MNVIQCBQGWGTOL-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1c[nH+]cn1C ZINC000883970192 591785449 /nfs/dbraw/zinc/78/54/49/591785449.db2.gz JULJAKFUSCBKGZ-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO CCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800096841 591821939 /nfs/dbraw/zinc/82/19/39/591821939.db2.gz IABXRTFRVNJPPD-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800096841 591821937 /nfs/dbraw/zinc/82/19/37/591821937.db2.gz IABXRTFRVNJPPD-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096836 591822339 /nfs/dbraw/zinc/82/23/39/591822339.db2.gz IABXRTFRVNJPPD-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096836 591822341 /nfs/dbraw/zinc/82/23/41/591822341.db2.gz IABXRTFRVNJPPD-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800143834 591828082 /nfs/dbraw/zinc/82/80/82/591828082.db2.gz HTVHNSBNPCITQM-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800143834 591828087 /nfs/dbraw/zinc/82/80/87/591828087.db2.gz HTVHNSBNPCITQM-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800160239 591829756 /nfs/dbraw/zinc/82/97/56/591829756.db2.gz MRRZDCGAKHAQEV-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800160239 591829759 /nfs/dbraw/zinc/82/97/59/591829759.db2.gz MRRZDCGAKHAQEV-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C2=COCC2)CCO1 ZINC000800169868 591830944 /nfs/dbraw/zinc/83/09/44/591830944.db2.gz XEGLGXWKNKXGOD-SNVBAGLBSA-N 1 2 241.287 0.555 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C2=COCC2)CCO1 ZINC000800169868 591830948 /nfs/dbraw/zinc/83/09/48/591830948.db2.gz XEGLGXWKNKXGOD-SNVBAGLBSA-N 1 2 241.287 0.555 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)c2cc[nH]c2)CCO1 ZINC000800179178 591832974 /nfs/dbraw/zinc/83/29/74/591832974.db2.gz JEAFCQUDDYXHHS-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)c2cc[nH]c2)CCO1 ZINC000800179178 591832976 /nfs/dbraw/zinc/83/29/76/591832976.db2.gz JEAFCQUDDYXHHS-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133601530 591842473 /nfs/dbraw/zinc/84/24/73/591842473.db2.gz FEMKYUPRZYXPCW-SECBINFHSA-N 1 2 210.281 0.271 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133601530 591842474 /nfs/dbraw/zinc/84/24/74/591842474.db2.gz FEMKYUPRZYXPCW-SECBINFHSA-N 1 2 210.281 0.271 20 0 BCADLO CSC[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000133834963 591862482 /nfs/dbraw/zinc/86/24/82/591862482.db2.gz WSCYUCYXNAJAAU-VIFPVBQESA-N 1 2 242.348 0.367 20 0 BCADLO CSC[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000133834963 591862485 /nfs/dbraw/zinc/86/24/85/591862485.db2.gz WSCYUCYXNAJAAU-VIFPVBQESA-N 1 2 242.348 0.367 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134080316 591881569 /nfs/dbraw/zinc/88/15/69/591881569.db2.gz DKOKVPAYJAXPPA-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134080316 591881573 /nfs/dbraw/zinc/88/15/73/591881573.db2.gz DKOKVPAYJAXPPA-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO CCc1nc(NC[C@@H](O)COC)cc[nH+]1 ZINC000884498816 591958036 /nfs/dbraw/zinc/95/80/36/591958036.db2.gz MZBOZJSFGKWKEC-MRVPVSSYSA-N 1 2 211.265 0.458 20 0 BCADLO CCc1nc(N[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000884512796 591962343 /nfs/dbraw/zinc/96/23/43/591962343.db2.gz PYQCWDGYURROAO-ZETCQYMHSA-N 1 2 207.233 0.766 20 0 BCADLO CCc1nc(N[C@@H](CC)C(=O)NC)cc[nH+]1 ZINC000884525270 591965403 /nfs/dbraw/zinc/96/54/03/591965403.db2.gz QOOJXGXTOWEWLC-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO CCc1nc(N[C@H](C)CC(=O)NC)cc[nH+]1 ZINC000884522784 591965959 /nfs/dbraw/zinc/96/59/59/591965959.db2.gz HVSWPBQUBWORID-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO CCc1nc(NC[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000884528778 591968029 /nfs/dbraw/zinc/96/80/29/591968029.db2.gz YFSCPQZGGYLNPF-VIFPVBQESA-N 1 2 234.303 0.977 20 0 BCADLO CCc1nc(NCc2n[nH]c(=O)n2C)cc[nH+]1 ZINC000884551917 591976618 /nfs/dbraw/zinc/97/66/18/591976618.db2.gz MRMJNRIMNWDAED-UHFFFAOYSA-N 1 2 234.263 0.485 20 0 BCADLO CCc1nc(NC[C@H](O)[C@@H]2CCCO2)cc[nH+]1 ZINC000884563334 591981337 /nfs/dbraw/zinc/98/13/37/591981337.db2.gz CETHLDXXKYEYME-UWVGGRQHSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(NC[C@H](O)[C@H]2CCCO2)cc[nH+]1 ZINC000884563335 591981657 /nfs/dbraw/zinc/98/16/57/591981657.db2.gz CETHLDXXKYEYME-VHSXEESVSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(NC[C@H](O)CC(=O)OC)cc[nH+]1 ZINC000884566053 591982558 /nfs/dbraw/zinc/98/25/58/591982558.db2.gz ZRLWRINYHJDWNK-MRVPVSSYSA-N 1 2 239.275 0.375 20 0 BCADLO CCc1nc(NC[C@@H](O)[C@H](C)O)cc[nH+]1 ZINC000884572897 591983955 /nfs/dbraw/zinc/98/39/55/591983955.db2.gz YERWITIACFDSEA-JGVFFNPUSA-N 1 2 211.265 0.193 20 0 BCADLO C[C@@H](O)CNc1cc(N2C[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000884589242 591989094 /nfs/dbraw/zinc/98/90/94/591989094.db2.gz WIZYNLVDJNXGCI-BBBLOLIVSA-N 1 2 234.303 0.725 20 0 BCADLO C[C@@H](O)CNc1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000884589242 591989096 /nfs/dbraw/zinc/98/90/96/591989096.db2.gz WIZYNLVDJNXGCI-BBBLOLIVSA-N 1 2 234.303 0.725 20 0 BCADLO O[C@@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)C[C@@H]1O ZINC000884621073 591995712 /nfs/dbraw/zinc/99/57/12/591995712.db2.gz WSWOGKVEOLQXKJ-IXLQSRGQSA-N 1 2 245.282 0.348 20 0 BCADLO C[C@@H](O)c1ccc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]c1 ZINC000884624143 591996344 /nfs/dbraw/zinc/99/63/44/591996344.db2.gz ZKOBMUSVYIHPKD-CZULRBLNSA-N 1 2 238.287 0.431 20 0 BCADLO O=C1NCCN1CCNc1cc(CO)cc[nH+]1 ZINC000884691706 592011615 /nfs/dbraw/zinc/01/16/15/592011615.db2.gz POVGCDUGQPUENR-UHFFFAOYSA-N 1 2 236.275 0.011 20 0 BCADLO Cc1nc(N2CC[C@H]([C@@H]3CCCO3)C2)nc(N)[nH+]1 ZINC000884742864 592016626 /nfs/dbraw/zinc/01/66/26/592016626.db2.gz VFABRLUKSNHJEV-UWVGGRQHSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]([C@@H]3CCCO3)C2)[nH+]1 ZINC000884742864 592016627 /nfs/dbraw/zinc/01/66/27/592016627.db2.gz VFABRLUKSNHJEV-UWVGGRQHSA-N 1 2 249.318 0.768 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1cnn(C)c1 ZINC000216435881 592030221 /nfs/dbraw/zinc/03/02/21/592030221.db2.gz BFRGKOIQVWWVTA-ARJAWSKDSA-N 1 2 245.286 0.815 20 0 BCADLO COCCOC(=O)N(C)CC[NH+]1CCOCC1 ZINC000884997410 592032688 /nfs/dbraw/zinc/03/26/88/592032688.db2.gz SBTLOZKGKNQEIX-UHFFFAOYSA-N 1 2 246.307 0.033 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000135733084 592042719 /nfs/dbraw/zinc/04/27/19/592042719.db2.gz MQRFVVVHYHYQJN-MWLCHTKSSA-N 1 2 213.277 0.803 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000135733084 592042721 /nfs/dbraw/zinc/04/27/21/592042721.db2.gz MQRFVVVHYHYQJN-MWLCHTKSSA-N 1 2 213.277 0.803 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000885062705 592043585 /nfs/dbraw/zinc/04/35/85/592043585.db2.gz ORPRSKXRLIBSPX-MRVPVSSYSA-N 1 2 221.260 0.532 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000885072159 592045386 /nfs/dbraw/zinc/04/53/86/592045386.db2.gz SOJLTGZOGYMGLJ-QMMMGPOBSA-N 1 2 221.260 0.532 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000885078857 592047677 /nfs/dbraw/zinc/04/76/77/592047677.db2.gz QDLDKRQTGDPQNK-SECBINFHSA-N 1 2 221.260 0.463 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000885078858 592047898 /nfs/dbraw/zinc/04/78/98/592047898.db2.gz QDLDKRQTGDPQNK-VIFPVBQESA-N 1 2 221.260 0.463 20 0 BCADLO COCCOC(=O)NCc1c[nH+]ccc1OC ZINC000885203484 592057876 /nfs/dbraw/zinc/05/78/76/592057876.db2.gz SXTCMQYTCHYWCK-UHFFFAOYSA-N 1 2 240.259 0.963 20 0 BCADLO COCCOC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000885284786 592063444 /nfs/dbraw/zinc/06/34/44/592063444.db2.gz CPYXWXZVVNNZOT-UHFFFAOYSA-N 1 2 213.237 0.625 20 0 BCADLO COCCOC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000885284786 592063445 /nfs/dbraw/zinc/06/34/45/592063445.db2.gz CPYXWXZVVNNZOT-UHFFFAOYSA-N 1 2 213.237 0.625 20 0 BCADLO COC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000885793217 592100346 /nfs/dbraw/zinc/10/03/46/592100346.db2.gz VXXKROQACFFMAU-SNVBAGLBSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000885793217 592100348 /nfs/dbraw/zinc/10/03/48/592100348.db2.gz VXXKROQACFFMAU-SNVBAGLBSA-N 1 2 239.319 0.987 20 0 BCADLO COC(=O)C[N@H+](C)C[C@](C)(O)C(F)F ZINC000885937603 592110563 /nfs/dbraw/zinc/11/05/63/592110563.db2.gz FHJUWEYDFDYOOR-QMMMGPOBSA-N 1 2 211.208 0.107 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@](C)(O)C(F)F ZINC000885937603 592110565 /nfs/dbraw/zinc/11/05/65/592110565.db2.gz FHJUWEYDFDYOOR-QMMMGPOBSA-N 1 2 211.208 0.107 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2cc(F)ncn2)C1 ZINC000136899787 592152607 /nfs/dbraw/zinc/15/26/07/592152607.db2.gz PQEGDLBPJXSXNY-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2cc(F)ncn2)C1 ZINC000136899787 592152608 /nfs/dbraw/zinc/15/26/08/592152608.db2.gz PQEGDLBPJXSXNY-SECBINFHSA-N 1 2 239.298 0.273 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886153988 592164576 /nfs/dbraw/zinc/16/45/76/592164576.db2.gz WRNVDBFYJYDALZ-QWRGUYRKSA-N 1 2 244.335 0.991 20 0 BCADLO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ncn(C)n1 ZINC000886158444 592165272 /nfs/dbraw/zinc/16/52/72/592165272.db2.gz ZGEJZCQBOGXVFZ-MUWHJKNJSA-N 1 2 234.250 0.482 20 0 BCADLO C[C@](O)(C[N@@H+]1CCO[C@@H](C(F)F)C1)C(F)F ZINC000886190499 592170728 /nfs/dbraw/zinc/17/07/28/592170728.db2.gz SVTADQVVNMNBOM-MUWHJKNJSA-N 1 2 245.216 0.968 20 0 BCADLO C[C@](O)(C[N@H+]1CCO[C@@H](C(F)F)C1)C(F)F ZINC000886190499 592170731 /nfs/dbraw/zinc/17/07/31/592170731.db2.gz SVTADQVVNMNBOM-MUWHJKNJSA-N 1 2 245.216 0.968 20 0 BCADLO Cn1cc[nH+]c1CNc1n[nH]c2c1COCC2 ZINC000886206078 592175897 /nfs/dbraw/zinc/17/58/97/592175897.db2.gz IAIGORQWNNBGAT-UHFFFAOYSA-N 1 2 233.275 0.828 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000218829443 592182229 /nfs/dbraw/zinc/18/22/29/592182229.db2.gz OESSYMFENCMVAB-IUCAKERBSA-N 1 2 214.309 0.922 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000218829443 592182231 /nfs/dbraw/zinc/18/22/31/592182231.db2.gz OESSYMFENCMVAB-IUCAKERBSA-N 1 2 214.309 0.922 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@@]12CCOC2 ZINC000886251608 592187243 /nfs/dbraw/zinc/18/72/43/592187243.db2.gz GWMMYLDQFRBUOR-GZMMTYOYSA-N 1 2 239.275 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@@]12CCOC2 ZINC000886251608 592187245 /nfs/dbraw/zinc/18/72/45/592187245.db2.gz GWMMYLDQFRBUOR-GZMMTYOYSA-N 1 2 239.275 0.634 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1cncc(O)c1 ZINC000886276422 592196359 /nfs/dbraw/zinc/19/63/59/592196359.db2.gz IRBSSIUXYJXSGV-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO CN(C(=O)C[N@@H+]1CCCn2nncc2C1)C1CC1 ZINC000886455218 592226906 /nfs/dbraw/zinc/22/69/06/592226906.db2.gz FWCQUVRFXPGQOE-UHFFFAOYSA-N 1 2 249.318 0.105 20 0 BCADLO CN(C(=O)C[N@H+]1CCCn2nncc2C1)C1CC1 ZINC000886455218 592226907 /nfs/dbraw/zinc/22/69/07/592226907.db2.gz FWCQUVRFXPGQOE-UHFFFAOYSA-N 1 2 249.318 0.105 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC ZINC000886470687 592229597 /nfs/dbraw/zinc/22/95/97/592229597.db2.gz XFPUIDNGRMCXCK-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC ZINC000886470687 592229598 /nfs/dbraw/zinc/22/95/98/592229598.db2.gz XFPUIDNGRMCXCK-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CCn1nncc1C[N@@H+]1CCCn2nncc2C1 ZINC000886467191 592229647 /nfs/dbraw/zinc/22/96/47/592229647.db2.gz YADBXBUUZUNGSF-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO CCn1nncc1C[N@H+]1CCCn2nncc2C1 ZINC000886467191 592229648 /nfs/dbraw/zinc/22/96/48/592229648.db2.gz YADBXBUUZUNGSF-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517433 592242919 /nfs/dbraw/zinc/24/29/19/592242919.db2.gz CTNXEBQJLOYPJD-IWSPIJDZSA-N 1 2 240.307 0.120 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517433 592242924 /nfs/dbraw/zinc/24/29/24/592242924.db2.gz CTNXEBQJLOYPJD-IWSPIJDZSA-N 1 2 240.307 0.120 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886529041 592247667 /nfs/dbraw/zinc/24/76/67/592247667.db2.gz VUNRTVDPCDWRKV-HTQZYQBOSA-N 1 2 211.265 0.850 20 0 BCADLO C[C@@H]([NH2+]CCN1CCCC1=O)c1ncco1 ZINC000886530994 592247786 /nfs/dbraw/zinc/24/77/86/592247786.db2.gz UYPZDJJVFXLMIB-SECBINFHSA-N 1 2 223.276 0.948 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ncco1 ZINC000886539203 592251916 /nfs/dbraw/zinc/25/19/16/592251916.db2.gz WHKYQKXWIYOYQW-RKDXNWHRSA-N 1 2 223.276 0.946 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608337 592273788 /nfs/dbraw/zinc/27/37/88/592273788.db2.gz TVHLBOKPRVDRRB-FHMRSRPSSA-N 1 2 249.314 0.725 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687651 592304560 /nfs/dbraw/zinc/30/45/60/592304560.db2.gz BKSJGNQNLBYKCY-SNVBAGLBSA-N 1 2 244.302 0.974 20 0 BCADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687651 592304564 /nfs/dbraw/zinc/30/45/64/592304564.db2.gz BKSJGNQNLBYKCY-SNVBAGLBSA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687651 592304567 /nfs/dbraw/zinc/30/45/67/592304567.db2.gz BKSJGNQNLBYKCY-SNVBAGLBSA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687651 592304573 /nfs/dbraw/zinc/30/45/73/592304573.db2.gz BKSJGNQNLBYKCY-SNVBAGLBSA-N 1 2 244.302 0.974 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000886743302 592314786 /nfs/dbraw/zinc/31/47/86/592314786.db2.gz ZXCOERLWJNNWJH-MRVPVSSYSA-N 1 2 237.307 0.394 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795549 592326852 /nfs/dbraw/zinc/32/68/52/592326852.db2.gz WGMGWYCGGMYCSP-MRVPVSSYSA-N 1 2 241.209 0.406 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795549 592326857 /nfs/dbraw/zinc/32/68/57/592326857.db2.gz WGMGWYCGGMYCSP-MRVPVSSYSA-N 1 2 241.209 0.406 20 0 BCADLO CC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000220712461 592327170 /nfs/dbraw/zinc/32/71/70/592327170.db2.gz OIJQXVXWEBUWDA-SNAWJCMRSA-N 1 2 226.320 0.790 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342593 /nfs/dbraw/zinc/34/25/93/592342593.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 1 2 222.292 0.806 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342597 /nfs/dbraw/zinc/34/25/97/592342597.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342602 /nfs/dbraw/zinc/34/26/02/592342602.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 1 2 222.292 0.806 20 0 BCADLO c1n[nH]nc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342607 /nfs/dbraw/zinc/34/26/07/592342607.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 1 2 222.292 0.806 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](C)CO ZINC000886946293 592400241 /nfs/dbraw/zinc/40/02/41/592400241.db2.gz JHGBDMZEUMKETC-MXWKQRLJSA-N 1 2 245.319 0.315 20 0 BCADLO COCCC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886946326 592401387 /nfs/dbraw/zinc/40/13/87/592401387.db2.gz JNQGQWOHWKUGMN-WDEREUQCSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCO ZINC000886962611 592402000 /nfs/dbraw/zinc/40/20/00/592402000.db2.gz AWYVCNQQVHLNFL-UWVGGRQHSA-N 1 2 231.292 0.069 20 0 BCADLO CCOCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887071787 592433561 /nfs/dbraw/zinc/43/35/61/592433561.db2.gz BGPSWPGUAVEYFH-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CCOCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887071787 592433556 /nfs/dbraw/zinc/43/35/56/592433556.db2.gz BGPSWPGUAVEYFH-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO COCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070165 592434304 /nfs/dbraw/zinc/43/43/04/592434304.db2.gz HHXACEJBWOEBMB-MRVPVSSYSA-N 1 2 219.306 0.223 20 0 BCADLO COCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070165 592434308 /nfs/dbraw/zinc/43/43/08/592434308.db2.gz HHXACEJBWOEBMB-MRVPVSSYSA-N 1 2 219.306 0.223 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCCF ZINC000887142299 592454809 /nfs/dbraw/zinc/45/48/09/592454809.db2.gz DWPMMQNSTAUMRB-DTWKUNHWSA-N 1 2 239.312 0.090 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCCF ZINC000887142299 592454812 /nfs/dbraw/zinc/45/48/12/592454812.db2.gz DWPMMQNSTAUMRB-DTWKUNHWSA-N 1 2 239.312 0.090 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+](C)CCCF)n1 ZINC000887140160 592455747 /nfs/dbraw/zinc/45/57/47/592455747.db2.gz SNAYFWHALBCRQL-UHFFFAOYSA-N 1 2 242.302 0.311 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+](C)CCCF)n1 ZINC000887140160 592455750 /nfs/dbraw/zinc/45/57/50/592455750.db2.gz SNAYFWHALBCRQL-UHFFFAOYSA-N 1 2 242.302 0.311 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)CCCF ZINC000887142412 592455803 /nfs/dbraw/zinc/45/58/03/592455803.db2.gz JJMVMUHUXGOJAI-VIFPVBQESA-N 1 2 249.282 0.773 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)CCCF ZINC000887142412 592455807 /nfs/dbraw/zinc/45/58/07/592455807.db2.gz JJMVMUHUXGOJAI-VIFPVBQESA-N 1 2 249.282 0.773 20 0 BCADLO C[C@H]1CCCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000222985259 592513341 /nfs/dbraw/zinc/51/33/41/592513341.db2.gz VKHGXKJKWSDZTF-FHMRSRPSSA-N 1 2 238.331 0.886 20 0 BCADLO CCCCOC(=O)C[N@H+](C)CCCO ZINC000300837476 592521237 /nfs/dbraw/zinc/52/12/37/592521237.db2.gz PZUZOBJMPOGMQQ-UHFFFAOYSA-N 1 2 203.282 0.644 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)CCCO ZINC000300837476 592521241 /nfs/dbraw/zinc/52/12/41/592521241.db2.gz PZUZOBJMPOGMQQ-UHFFFAOYSA-N 1 2 203.282 0.644 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000887718194 592544953 /nfs/dbraw/zinc/54/49/53/592544953.db2.gz UQFOMMRRHBWOMG-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000887718193 592545222 /nfs/dbraw/zinc/54/52/22/592545222.db2.gz UQFOMMRRHBWOMG-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO CCC1(CC(=O)NCc2cn(C)c[nH+]2)COC1 ZINC000890100283 592679061 /nfs/dbraw/zinc/67/90/61/592679061.db2.gz LUWQRUCOBZDYFB-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COCC(F)F)c1 ZINC000890103009 592679763 /nfs/dbraw/zinc/67/97/63/592679763.db2.gz DHIBLLSQZCEZGV-UHFFFAOYSA-N 1 2 233.218 0.318 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103460 592680103 /nfs/dbraw/zinc/68/01/03/592680103.db2.gz LRISYFCRQZHQLI-WCBMZHEXSA-N 1 2 225.292 0.443 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000890100616 592680200 /nfs/dbraw/zinc/68/02/00/592680200.db2.gz ZRCOHTBQABJHPZ-NEPJUHHUSA-N 1 2 249.314 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CCCCO2)c1 ZINC000890103817 592680373 /nfs/dbraw/zinc/68/03/73/592680373.db2.gz DKCVJUZVRWWKEF-GFCCVEGCSA-N 1 2 237.303 0.996 20 0 BCADLO CO[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000890103722 592680595 /nfs/dbraw/zinc/68/05/95/592680595.db2.gz PXRLMCMNRMPJDR-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C(=O)c2cccn2C)c1 ZINC000890106538 592681226 /nfs/dbraw/zinc/68/12/26/592681226.db2.gz CAWIMGUEJUMDDW-UHFFFAOYSA-N 1 2 246.270 0.258 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC(C)(C)O)c1 ZINC000890107338 592681690 /nfs/dbraw/zinc/68/16/90/592681690.db2.gz KVALMYGJVYXKMJ-UHFFFAOYSA-N 1 2 211.265 0.197 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000890105143 592681742 /nfs/dbraw/zinc/68/17/42/592681742.db2.gz XQSMDISTIKFGJD-MXWKQRLJSA-N 1 2 235.287 0.604 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC(C)(C)O2)c1 ZINC000890107037 592681852 /nfs/dbraw/zinc/68/18/52/592681852.db2.gz GYKQYWAHYXDNQE-JTQLQIEISA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2cncc(O)c2)c1 ZINC000890106514 592681892 /nfs/dbraw/zinc/68/18/92/592681892.db2.gz BDWGGSVHDQTYEF-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC2(F)F)c1 ZINC000890105129 592681980 /nfs/dbraw/zinc/68/19/80/592681980.db2.gz XAIDQUUUQRHXKN-SSDOTTSWSA-N 1 2 215.203 0.692 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109311 592682681 /nfs/dbraw/zinc/68/26/81/592682681.db2.gz KCVCFTFCILZWGU-PSASIEDQSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CCCOC2)c1 ZINC000890109320 592682722 /nfs/dbraw/zinc/68/27/22/592682722.db2.gz KKTKEEMRXCQIMD-LBPRGKRZSA-N 1 2 237.303 0.853 20 0 BCADLO Cc1ncc(C(=O)NCc2cn(C)c[nH+]2)c(C)n1 ZINC000890109217 592683254 /nfs/dbraw/zinc/68/32/54/592683254.db2.gz GSGMSLXYFSNKPL-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@]23CCOC3)c1 ZINC000890108176 592683320 /nfs/dbraw/zinc/68/33/20/592683320.db2.gz VEAYYXQCTLEZKI-JQWIXIFHSA-N 1 2 235.287 0.463 20 0 BCADLO CC[C@H](C(=O)NCc1cn(C)c[nH+]1)C(=O)OC ZINC000890107885 592683400 /nfs/dbraw/zinc/68/34/00/592683400.db2.gz PUDZDRCOWXIYJY-SECBINFHSA-N 1 2 239.275 0.236 20 0 BCADLO COc1ncc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890113474 592683828 /nfs/dbraw/zinc/68/38/28/592683828.db2.gz FHVGOBUGQNIGGG-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890110983 592684042 /nfs/dbraw/zinc/68/40/42/592684042.db2.gz YASCIZHCWLKZNL-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC=CO2)c1 ZINC000890110279 592684510 /nfs/dbraw/zinc/68/45/10/592684510.db2.gz XWIUVORSRIZHDP-JTQLQIEISA-N 1 2 221.260 0.729 20 0 BCADLO CO[C@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114506 592685189 /nfs/dbraw/zinc/68/51/89/592685189.db2.gz NFOGQSUTSDBZNA-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO CCOCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890116729 592685263 /nfs/dbraw/zinc/68/52/63/592685263.db2.gz CHCXPOFNNIDUKA-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890117011 592685306 /nfs/dbraw/zinc/68/53/06/592685306.db2.gz FBGNWXQQLJDSGX-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114485 592685460 /nfs/dbraw/zinc/68/54/60/592685460.db2.gz MJIZUCCQZVGKBO-VIFPVBQESA-N 1 2 237.303 0.851 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117061 592685624 /nfs/dbraw/zinc/68/56/24/592685624.db2.gz FXHVJCSQWWNNNE-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO Cc1cnc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890119403 592685942 /nfs/dbraw/zinc/68/59/42/592685942.db2.gz GOKYITXWUSTSLO-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890117530 592686017 /nfs/dbraw/zinc/68/60/17/592686017.db2.gz ORRUMDKRPTVPKG-UHFFFAOYSA-N 1 2 247.302 0.550 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2(n3cccn3)CC2)c1 ZINC000890119452 592686023 /nfs/dbraw/zinc/68/60/23/592686023.db2.gz IFCTWKZORDONGX-UHFFFAOYSA-N 1 2 245.286 0.422 20 0 BCADLO C[C@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C(C)(C)O ZINC000890458617 592699958 /nfs/dbraw/zinc/69/99/58/592699958.db2.gz FRVVKGXNCYRBIG-CYNONHLPSA-N 1 2 237.303 0.709 20 0 BCADLO O=C([O-])[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000062133223 598186279 /nfs/dbraw/zinc/18/62/79/598186279.db2.gz KENUOWPVKHCBSQ-JTQLQIEISA-N 1 2 223.276 0.680 20 0 BCADLO O=C([O-])[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000062133223 598186280 /nfs/dbraw/zinc/18/62/80/598186280.db2.gz KENUOWPVKHCBSQ-JTQLQIEISA-N 1 2 223.276 0.680 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000309523806 599920352 /nfs/dbraw/zinc/92/03/52/599920352.db2.gz AVSUWAQZCAZKHF-VHSXEESVSA-N 1 2 223.276 0.993 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000309523806 599920350 /nfs/dbraw/zinc/92/03/50/599920350.db2.gz AVSUWAQZCAZKHF-VHSXEESVSA-N 1 2 223.276 0.993 20 0 BCADLO O=C([O-])C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000380100558 601007006 /nfs/dbraw/zinc/00/70/06/601007006.db2.gz LPTQKRRCKBQUKI-MRVPVSSYSA-N 1 2 209.249 0.674 20 0 BCADLO O=C([O-])C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000380100558 601007008 /nfs/dbraw/zinc/00/70/08/601007008.db2.gz LPTQKRRCKBQUKI-MRVPVSSYSA-N 1 2 209.249 0.674 20 0 BCADLO Cn1cc[nH+]c1N1CC[NH+](CCC(=O)[O-])CC1 ZINC000050605112 601932645 /nfs/dbraw/zinc/93/26/45/601932645.db2.gz MXFCZQBNNPHYPB-UHFFFAOYSA-N 1 2 238.291 0.017 20 0 BCADLO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)[NH+](C)C ZINC000738938089 603273873 /nfs/dbraw/zinc/27/38/73/603273873.db2.gz GQZSZBIULYIHOD-QWRGUYRKSA-N 1 2 243.351 0.916 20 0 BCADLO CC(C)[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037994778 605141331 /nfs/dbraw/zinc/14/13/31/605141331.db2.gz QSAVWHSVYRVZHF-UHFFFAOYSA-N 1 2 211.265 0.678 20 0 BCADLO CC(C)[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037994778 605141335 /nfs/dbraw/zinc/14/13/35/605141335.db2.gz QSAVWHSVYRVZHF-UHFFFAOYSA-N 1 2 211.265 0.678 20 0 BCADLO CCN1CC[C@@H]([N@H+]2Cc3c[nH]nc3[C@@H](C)C2)C1=O ZINC000931468115 634468899 /nfs/dbraw/zinc/46/88/99/634468899.db2.gz VKVLMTRYQVSROT-GXSJLCMTSA-N 1 2 248.330 0.950 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)C1=O ZINC000931468115 634468905 /nfs/dbraw/zinc/46/89/05/634468905.db2.gz VKVLMTRYQVSROT-GXSJLCMTSA-N 1 2 248.330 0.950 20 0 BCADLO CCC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001009827985 634596321 /nfs/dbraw/zinc/59/63/21/634596321.db2.gz YVJJQMICSHRQDM-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001009827985 634596324 /nfs/dbraw/zinc/59/63/24/634596324.db2.gz YVJJQMICSHRQDM-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO c1[nH+]cn2ccnc(NCCN3CCOCC3)c12 ZINC000891426586 631216209 /nfs/dbraw/zinc/21/62/09/631216209.db2.gz MQSQTOQMJCAFAU-UHFFFAOYSA-N 1 2 247.302 0.473 20 0 BCADLO C/C=C(/C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000255327326 631235896 /nfs/dbraw/zinc/23/58/96/631235896.db2.gz XIJQTDMXDVNTEN-DKRCXCIFSA-N 1 2 239.363 0.705 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324187 631253657 /nfs/dbraw/zinc/25/36/57/631253657.db2.gz SLJLJBNFRXWYOM-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](O)CC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324187 631253669 /nfs/dbraw/zinc/25/36/69/631253669.db2.gz SLJLJBNFRXWYOM-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO O=C1C[N@@H+](CCCO)[C@@H](c2ccccc2)CN1 ZINC000933326585 631255108 /nfs/dbraw/zinc/25/51/08/631255108.db2.gz KAUPVWMGDCJRKW-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1C[N@H+](CCCO)[C@@H](c2ccccc2)CN1 ZINC000933326585 631255114 /nfs/dbraw/zinc/25/51/14/631255114.db2.gz KAUPVWMGDCJRKW-GFCCVEGCSA-N 1 2 234.299 0.542 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCc1cnccn1 ZINC000933327435 631257898 /nfs/dbraw/zinc/25/78/98/631257898.db2.gz OMPYQGZAJQOQDT-GFCCVEGCSA-N 1 2 237.303 0.366 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCc1cnccn1 ZINC000933327435 631257904 /nfs/dbraw/zinc/25/79/04/631257904.db2.gz OMPYQGZAJQOQDT-GFCCVEGCSA-N 1 2 237.303 0.366 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCOC[C@H]1COC ZINC000933335982 631276140 /nfs/dbraw/zinc/27/61/40/631276140.db2.gz OSGGNYGDYHODMV-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)CC[N@H+]1CCOC[C@H]1COC ZINC000933335982 631276149 /nfs/dbraw/zinc/27/61/49/631276149.db2.gz OSGGNYGDYHODMV-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308369945 631306359 /nfs/dbraw/zinc/30/63/59/631306359.db2.gz ARXGANGOZFPEQP-IONNQARKSA-N 1 2 205.261 0.936 20 0 BCADLO Nc1ccc(CNC(=O)[C@H]2CCCCO2)c[nH+]1 ZINC000308392514 631309921 /nfs/dbraw/zinc/30/99/21/631309921.db2.gz PDNYWWKIFXGWSX-SNVBAGLBSA-N 1 2 235.287 0.849 20 0 BCADLO Nc1ccc(CNC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000308392521 631310041 /nfs/dbraw/zinc/31/00/41/631310041.db2.gz PEKNUOKYCIMFJD-VIFPVBQESA-N 1 2 221.260 0.317 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000308598737 631342382 /nfs/dbraw/zinc/34/23/82/631342382.db2.gz NOUFTBFINDWODM-VXNVDRBHSA-N 1 2 201.266 0.299 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(C=O)n(C)c2)CC[N@@H+]1C ZINC000933561203 631411081 /nfs/dbraw/zinc/41/10/81/631411081.db2.gz ZDFFBQZOGGZDMH-JTQLQIEISA-N 1 2 249.314 0.614 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(C=O)n(C)c2)CC[N@H+]1C ZINC000933561203 631411082 /nfs/dbraw/zinc/41/10/82/631411082.db2.gz ZDFFBQZOGGZDMH-JTQLQIEISA-N 1 2 249.314 0.614 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926263317 631527965 /nfs/dbraw/zinc/52/79/65/631527965.db2.gz PNHYOAPDZHAINZ-BDAKNGLRSA-N 1 2 239.323 0.333 20 0 BCADLO CNc1cc(NC[C@H](O)C(F)(F)F)[nH+]cn1 ZINC000234511772 631560149 /nfs/dbraw/zinc/56/01/49/631560149.db2.gz DFOQGTXKWFCRMG-YFKPBYRVSA-N 1 2 236.197 0.853 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968294 631577753 /nfs/dbraw/zinc/57/77/53/631577753.db2.gz LCKVRRZTLQHGSU-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968294 631577757 /nfs/dbraw/zinc/57/77/57/631577757.db2.gz LCKVRRZTLQHGSU-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NC1CCCCCC1 ZINC000934026458 631603358 /nfs/dbraw/zinc/60/33/58/631603358.db2.gz NBNVKRFRWUJBCQ-GFCCVEGCSA-N 1 2 240.347 0.892 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NC1CCCCCC1 ZINC000934026458 631603369 /nfs/dbraw/zinc/60/33/69/631603369.db2.gz NBNVKRFRWUJBCQ-GFCCVEGCSA-N 1 2 240.347 0.892 20 0 BCADLO COc1ccnc(C[N@@H+]2CC[C@H]2CO)c1OC ZINC000934015263 631606540 /nfs/dbraw/zinc/60/65/40/631606540.db2.gz UUTPCKFPNZLXFF-VIFPVBQESA-N 1 2 238.287 0.665 20 0 BCADLO COc1ccnc(C[N@H+]2CC[C@H]2CO)c1OC ZINC000934015263 631606547 /nfs/dbraw/zinc/60/65/47/631606547.db2.gz UUTPCKFPNZLXFF-VIFPVBQESA-N 1 2 238.287 0.665 20 0 BCADLO COc1ncc(C[N@@H+]2CC[C@@H]2CO)c(C)n1 ZINC000934015289 631607429 /nfs/dbraw/zinc/60/74/29/631607429.db2.gz VPZVJWQZRCFYMO-SNVBAGLBSA-N 1 2 223.276 0.360 20 0 BCADLO COc1ncc(C[N@H+]2CC[C@@H]2CO)c(C)n1 ZINC000934015289 631607432 /nfs/dbraw/zinc/60/74/32/631607432.db2.gz VPZVJWQZRCFYMO-SNVBAGLBSA-N 1 2 223.276 0.360 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001028361050 635657714 /nfs/dbraw/zinc/65/77/14/635657714.db2.gz QCJOOHLVFCWGPQ-SNVBAGLBSA-N 1 2 238.291 0.336 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001028361050 635657716 /nfs/dbraw/zinc/65/77/16/635657716.db2.gz QCJOOHLVFCWGPQ-SNVBAGLBSA-N 1 2 238.291 0.336 20 0 BCADLO C[C@@H]1C[NH+](CCN2CC[C@H]2CO)C[C@@H](C)O1 ZINC000934019576 631617146 /nfs/dbraw/zinc/61/71/46/631617146.db2.gz QKQKGKUVVZDUIQ-UTUOFQBUSA-N 1 2 228.336 0.162 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H]2CO)C[C@H](C)O1 ZINC000934019573 631617899 /nfs/dbraw/zinc/61/78/99/631617899.db2.gz QKQKGKUVVZDUIQ-GRYCIOLGSA-N 1 2 228.336 0.162 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@@H]2CO)C[C@H](C)O1 ZINC000934019573 631617903 /nfs/dbraw/zinc/61/79/03/631617903.db2.gz QKQKGKUVVZDUIQ-GRYCIOLGSA-N 1 2 228.336 0.162 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028363845 635660930 /nfs/dbraw/zinc/66/09/30/635660930.db2.gz YGUZAMPKUSSLBU-VIFPVBQESA-N 1 2 224.264 0.028 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028363845 635660935 /nfs/dbraw/zinc/66/09/35/635660935.db2.gz YGUZAMPKUSSLBU-VIFPVBQESA-N 1 2 224.264 0.028 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934029635 631630046 /nfs/dbraw/zinc/63/00/46/631630046.db2.gz IRQCBXXKXGXMSX-IJLUTSLNSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934029635 631630052 /nfs/dbraw/zinc/63/00/52/631630052.db2.gz IRQCBXXKXGXMSX-IJLUTSLNSA-N 1 2 240.347 0.748 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nnc(C)o1 ZINC000934114625 631692522 /nfs/dbraw/zinc/69/25/22/631692522.db2.gz UZBRRGZWHYYLEN-BDAKNGLRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C)o1 ZINC000934114625 631692525 /nfs/dbraw/zinc/69/25/25/631692525.db2.gz UZBRRGZWHYYLEN-BDAKNGLRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)CCS(C)(=O)=O ZINC000934125339 631703386 /nfs/dbraw/zinc/70/33/86/631703386.db2.gz KFUKZEUAWOPPRT-IUCAKERBSA-N 1 2 221.322 0.140 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)CCS(C)(=O)=O ZINC000934125339 631703392 /nfs/dbraw/zinc/70/33/92/631703392.db2.gz KFUKZEUAWOPPRT-IUCAKERBSA-N 1 2 221.322 0.140 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934125344 631703401 /nfs/dbraw/zinc/70/34/01/631703401.db2.gz KHNCEVNTKJJDNP-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934125344 631703403 /nfs/dbraw/zinc/70/34/03/631703403.db2.gz KHNCEVNTKJJDNP-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000934125346 631704398 /nfs/dbraw/zinc/70/43/98/631704398.db2.gz KHNCEVNTKJJDNP-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934125346 631704399 /nfs/dbraw/zinc/70/43/99/631704399.db2.gz KHNCEVNTKJJDNP-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2cncs2)C1=O ZINC000934195727 631727396 /nfs/dbraw/zinc/72/73/96/631727396.db2.gz QOYLXWCABJUFNB-YUMQZZPRSA-N 1 2 241.316 0.956 20 0 BCADLO CCN(C(=O)[C@H]1C[C@H]1C)C1C[NH+](CCO)C1 ZINC000949611717 631742853 /nfs/dbraw/zinc/74/28/53/631742853.db2.gz CBKFJAOZLYPHJW-KOLCDFICSA-N 1 2 226.320 0.167 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CO)C1CC1 ZINC000309040968 631823601 /nfs/dbraw/zinc/82/36/01/631823601.db2.gz LFNDICYNLWXMFD-UWVGGRQHSA-N 1 2 215.293 0.689 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934425736 631835217 /nfs/dbraw/zinc/83/52/17/631835217.db2.gz OXWIRKDPTHSDKQ-LLVKDONJSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1nonc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309089497 631875384 /nfs/dbraw/zinc/87/53/84/631875384.db2.gz ANMYXUMDNUTGBX-OIBJUYFYSA-N 1 2 210.281 0.418 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000309117026 631888607 /nfs/dbraw/zinc/88/86/07/631888607.db2.gz LXYBYHLTFRTOSV-SECBINFHSA-N 1 2 210.281 0.019 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000309117026 631888613 /nfs/dbraw/zinc/88/86/13/631888613.db2.gz LXYBYHLTFRTOSV-SECBINFHSA-N 1 2 210.281 0.019 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CC[C@@H](O)[C@H](F)C2)C1=O ZINC000934566107 631932093 /nfs/dbraw/zinc/93/20/93/631932093.db2.gz DSWSVPFPKSWICW-KXUCPTDWSA-N 1 2 230.283 0.012 20 0 BCADLO CN1CCC[C@H]([N@H+]2CC[C@@H](O)[C@H](F)C2)C1=O ZINC000934566107 631932097 /nfs/dbraw/zinc/93/20/97/631932097.db2.gz DSWSVPFPKSWICW-KXUCPTDWSA-N 1 2 230.283 0.012 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000934568415 631936930 /nfs/dbraw/zinc/93/69/30/631936930.db2.gz WALAOZYJEAHIQD-NXEZZACHSA-N 1 2 243.282 0.715 20 0 BCADLO Cc1noc(CCC[N@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000934568415 631936941 /nfs/dbraw/zinc/93/69/41/631936941.db2.gz WALAOZYJEAHIQD-NXEZZACHSA-N 1 2 243.282 0.715 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CC[C@H](O)[C@@H](F)C2)CCO1 ZINC000934570270 631939057 /nfs/dbraw/zinc/93/90/57/631939057.db2.gz CUWYVEJLQYXMTM-WOPDTQHZSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@H](O)[C@@H](F)C2)CCO1 ZINC000934570270 631939036 /nfs/dbraw/zinc/93/90/36/631939036.db2.gz CUWYVEJLQYXMTM-WOPDTQHZSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@H](O)[C@@H](F)C2)CCO1 ZINC000934570270 631939042 /nfs/dbraw/zinc/93/90/42/631939042.db2.gz CUWYVEJLQYXMTM-WOPDTQHZSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CC[C@H](O)[C@@H](F)C2)CCO1 ZINC000934570270 631939048 /nfs/dbraw/zinc/93/90/48/631939048.db2.gz CUWYVEJLQYXMTM-WOPDTQHZSA-N 1 2 246.326 0.112 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cnn1C ZINC000934575515 631946747 /nfs/dbraw/zinc/94/67/47/631946747.db2.gz JKROTJMGGWPOPZ-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cnn1C ZINC000934575515 631946754 /nfs/dbraw/zinc/94/67/54/631946754.db2.gz JKROTJMGGWPOPZ-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO C[C@@H](CF)NC(=O)NCc1c[nH+]cn1C ZINC000291880495 631969602 /nfs/dbraw/zinc/96/96/02/631969602.db2.gz LDUHLZBHKUVJRK-ZETCQYMHSA-N 1 2 214.244 0.577 20 0 BCADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@H]2CCO[C@H]21 ZINC000309358929 632009935 /nfs/dbraw/zinc/00/99/35/632009935.db2.gz ADOPATFEJKRVHJ-ZYUZMQFOSA-N 1 2 225.288 0.705 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934741722 632042141 /nfs/dbraw/zinc/04/21/41/632042141.db2.gz UIZCAOQWWCGSMI-SSDOTTSWSA-N 1 2 247.254 0.854 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877613813 635747013 /nfs/dbraw/zinc/74/70/13/635747013.db2.gz QJZMOYDGDINLBP-ZJUUUORDSA-N 1 2 229.324 0.126 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877613813 635747019 /nfs/dbraw/zinc/74/70/19/635747019.db2.gz QJZMOYDGDINLBP-ZJUUUORDSA-N 1 2 229.324 0.126 20 0 BCADLO OCC[C@@]1([NH2+]Cc2c[nH]cn2)CCOC1 ZINC000308904495 632121097 /nfs/dbraw/zinc/12/10/97/632121097.db2.gz DCEJSOHFOLXWGV-SNVBAGLBSA-N 1 2 211.265 0.041 20 0 BCADLO C[C@@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C=CCC1 ZINC000935018614 632414744 /nfs/dbraw/zinc/41/47/44/632414744.db2.gz ZBRCWNPZOLQKEA-GXTWGEPZSA-N 1 2 249.358 0.459 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(C)cn1 ZINC000308922697 632451094 /nfs/dbraw/zinc/45/10/94/632451094.db2.gz PIBWNTTWLCXZDD-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CCc1nc(C[NH2+][C@H]2C(=O)NCC2(C)C)co1 ZINC000926537425 632458986 /nfs/dbraw/zinc/45/89/86/632458986.db2.gz JFKRLJLNZLWZQM-JTQLQIEISA-N 1 2 237.303 0.851 20 0 BCADLO CC[C@H](O[NH+]=C(N)Cc1ccccc1)C(N)=O ZINC000159397303 632534502 /nfs/dbraw/zinc/53/45/02/632534502.db2.gz MTMTUZZXTOIZNG-JTQLQIEISA-N 1 2 235.287 0.782 20 0 BCADLO CC[C@@H](O[NH+]=C(N)Cc1cccnc1)C(N)=O ZINC000159455282 632536311 /nfs/dbraw/zinc/53/63/11/632536311.db2.gz RBTKTTVCDPQFQF-SECBINFHSA-N 1 2 236.275 0.177 20 0 BCADLO COC(=O)CC(C)(C)[NH2+]Cc1nc(C)no1 ZINC000309620178 632586153 /nfs/dbraw/zinc/58/61/53/632586153.db2.gz DXZMMWYATQFXSM-UHFFFAOYSA-N 1 2 227.264 0.809 20 0 BCADLO Cc1cn[nH]c1C[NH2+]Cc1cnn(C)c1 ZINC000309084989 632635776 /nfs/dbraw/zinc/63/57/76/632635776.db2.gz WCZKPXBIVFUHBK-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO Cc1c[nH]nc1C[NH2+]Cc1cnn(C)c1 ZINC000309084989 632635779 /nfs/dbraw/zinc/63/57/79/632635779.db2.gz WCZKPXBIVFUHBK-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cncc(OC)c2)C1 ZINC000289982241 632647541 /nfs/dbraw/zinc/64/75/41/632647541.db2.gz QSEAYSZDVDCAEM-UHFFFAOYSA-N 1 2 235.287 0.268 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C(C)(F)F ZINC000290656554 632649967 /nfs/dbraw/zinc/64/99/67/632649967.db2.gz PNFAYFDAVSCYBH-UHFFFAOYSA-N 1 2 203.192 0.692 20 0 BCADLO C[C@]1(NCCn2cc[nH+]c2)CCOC1=O ZINC000309154858 632650161 /nfs/dbraw/zinc/65/01/61/632650161.db2.gz XECATAQQYNMTSG-JTQLQIEISA-N 1 2 209.249 0.178 20 0 BCADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000309774100 632668952 /nfs/dbraw/zinc/66/89/52/632668952.db2.gz LFAPYVZCTPIHHZ-ZETCQYMHSA-N 1 2 220.280 0.697 20 0 BCADLO C[C@@H]([NH2+]Cc1cn(C)cn1)C(=O)NC(C)(C)C ZINC000310287154 632715446 /nfs/dbraw/zinc/71/54/46/632715446.db2.gz XZNYRJKAUMKZCI-SECBINFHSA-N 1 2 238.335 0.813 20 0 BCADLO COCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179515943 632740562 /nfs/dbraw/zinc/74/05/62/632740562.db2.gz XCDSXCSGQZEBPJ-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO C[C@H](N[C@H]1CC[N@H+](C)C1)c1ccnn1C ZINC000235513573 632770571 /nfs/dbraw/zinc/77/05/71/632770571.db2.gz UQKWZFVMXGAGND-UWVGGRQHSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccnn1C ZINC000235513573 632770575 /nfs/dbraw/zinc/77/05/75/632770575.db2.gz UQKWZFVMXGAGND-UWVGGRQHSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccoc1 ZINC000092042392 632820036 /nfs/dbraw/zinc/82/00/36/632820036.db2.gz IZNNKZNZXRQTJM-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccoc1 ZINC000092042392 632820038 /nfs/dbraw/zinc/82/00/38/632820038.db2.gz IZNNKZNZXRQTJM-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO COC/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000309241591 632836311 /nfs/dbraw/zinc/83/63/11/632836311.db2.gz AWQDJQYMOYZSGQ-NSCUHMNNSA-N 1 2 222.244 0.910 20 0 BCADLO Cn1cnc(C[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000310780495 632983240 /nfs/dbraw/zinc/98/32/40/632983240.db2.gz RLORRYZWJMBQCS-UHFFFAOYSA-N 1 2 244.298 0.809 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926773007 633026583 /nfs/dbraw/zinc/02/65/83/633026583.db2.gz YDLFCOWQJOMXFK-IUCAKERBSA-N 1 2 240.307 0.479 20 0 BCADLO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ncco1 ZINC000926774329 633031968 /nfs/dbraw/zinc/03/19/68/633031968.db2.gz LVFKXDFJMSABKU-UWVGGRQHSA-N 1 2 225.292 0.392 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+][C@@H]1[C@@H]1CCOC1 ZINC000309419933 633045661 /nfs/dbraw/zinc/04/56/61/633045661.db2.gz DLVXSMZVLUMCMD-ZJUUUORDSA-N 1 2 224.304 0.723 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC000309447921 633082413 /nfs/dbraw/zinc/08/24/13/633082413.db2.gz LTWYPBOEGQAJJU-WPRPVWTQSA-N 1 2 225.292 0.784 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000181950440 633168096 /nfs/dbraw/zinc/16/80/96/633168096.db2.gz FTFLJWFRBNANFH-GZMMTYOYSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000181950440 633168103 /nfs/dbraw/zinc/16/81/03/633168103.db2.gz FTFLJWFRBNANFH-GZMMTYOYSA-N 1 2 241.291 0.734 20 0 BCADLO Nc1cc(COC(=O)COC(F)F)cc[nH+]1 ZINC000309580882 633205283 /nfs/dbraw/zinc/20/52/83/633205283.db2.gz SCVLOMYTTDDZAE-UHFFFAOYSA-N 1 2 232.186 0.946 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000892776873 633224123 /nfs/dbraw/zinc/22/41/23/633224123.db2.gz QBGWQTUBOUUDRS-BDAKNGLRSA-N 1 2 238.243 0.272 20 0 BCADLO Cc1n[nH]nc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000892888439 633239763 /nfs/dbraw/zinc/23/97/63/633239763.db2.gz KUHLAVBOAJJKBL-ZETCQYMHSA-N 1 2 234.263 0.899 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000895034039 636017729 /nfs/dbraw/zinc/01/77/29/636017729.db2.gz OZZHJYXONCFEIR-SNVBAGLBSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000895034039 636017735 /nfs/dbraw/zinc/01/77/35/636017735.db2.gz OZZHJYXONCFEIR-SNVBAGLBSA-N 1 2 240.303 0.955 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552915 636087460 /nfs/dbraw/zinc/08/74/60/636087460.db2.gz ADBGVHGKNQPNAA-PHDIDXHHSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552915 636087462 /nfs/dbraw/zinc/08/74/62/636087462.db2.gz ADBGVHGKNQPNAA-PHDIDXHHSA-N 1 2 228.189 0.707 20 0 BCADLO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C)o1 ZINC000928554234 636090189 /nfs/dbraw/zinc/09/01/89/636090189.db2.gz GLTHSULEURYLSM-SECBINFHSA-N 1 2 236.271 0.916 20 0 BCADLO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)o1 ZINC000928554234 636090193 /nfs/dbraw/zinc/09/01/93/636090193.db2.gz GLTHSULEURYLSM-SECBINFHSA-N 1 2 236.271 0.916 20 0 BCADLO CNc1cc(N2CCN(C(C)=O)C[C@@H]2C)nc[nH+]1 ZINC000892936789 633738034 /nfs/dbraw/zinc/73/80/34/633738034.db2.gz RGGRMHQQAUVZSW-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CNc1cc(N2CCN(C(C)=O)C[C@@H]2C)[nH+]cn1 ZINC000892936789 633738047 /nfs/dbraw/zinc/73/80/47/633738047.db2.gz RGGRMHQQAUVZSW-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO COCC(C)(C)C[NH2+][C@H]1CCOC1=O ZINC000308622220 633778184 /nfs/dbraw/zinc/77/81/84/633778184.db2.gz UMGFLEBRIWDHOR-QMMMGPOBSA-N 1 2 201.266 0.564 20 0 BCADLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(C)=O)C2)no1 ZINC001019903533 633793525 /nfs/dbraw/zinc/79/35/25/633793525.db2.gz FFJOSRRSLYZFNC-KYZUINATSA-N 1 2 238.291 0.389 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+]C12CCOCC2 ZINC000309439604 633919162 /nfs/dbraw/zinc/91/91/62/633919162.db2.gz IDPYZCZEMVBKOU-UHFFFAOYSA-N 1 2 224.304 0.868 20 0 BCADLO c1nncn1C[N@@H+]1CCOC2(CCC2)C1 ZINC000182616362 633952987 /nfs/dbraw/zinc/95/29/87/633952987.db2.gz ANFYCHHCTUYUDJ-UHFFFAOYSA-N 1 2 208.265 0.491 20 0 BCADLO c1nncn1C[N@H+]1CCOC2(CCC2)C1 ZINC000182616362 633952991 /nfs/dbraw/zinc/95/29/91/633952991.db2.gz ANFYCHHCTUYUDJ-UHFFFAOYSA-N 1 2 208.265 0.491 20 0 BCADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](CO)C1CC1 ZINC000309951219 633972821 /nfs/dbraw/zinc/97/28/21/633972821.db2.gz GFLKMVZUVHNWBZ-QWRGUYRKSA-N 1 2 229.320 0.935 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CC[C@@H]1CCOC1=O ZINC000186948775 634089901 /nfs/dbraw/zinc/08/99/01/634089901.db2.gz JLZXTESTSOMRMD-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000186948775 634089907 /nfs/dbraw/zinc/08/99/07/634089907.db2.gz JLZXTESTSOMRMD-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](O)C(F)F ZINC000854747668 634094909 /nfs/dbraw/zinc/09/49/09/634094909.db2.gz HIOBPCXWUPINAF-RCOVLWMOSA-N 1 2 247.245 0.473 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cccc(CO)c2)n1 ZINC000310289120 634106078 /nfs/dbraw/zinc/10/60/78/634106078.db2.gz RDVRRJAORGRXGG-UHFFFAOYSA-N 1 2 232.287 0.597 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccnc(N)c1 ZINC000930839827 634132093 /nfs/dbraw/zinc/13/20/93/634132093.db2.gz QJDVUZRXQDHDDA-LPEHRKFASA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccnc(N)c1 ZINC000930839827 634132096 /nfs/dbraw/zinc/13/20/96/634132096.db2.gz QJDVUZRXQDHDDA-LPEHRKFASA-N 1 2 248.330 0.761 20 0 BCADLO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000931041043 634193462 /nfs/dbraw/zinc/19/34/62/634193462.db2.gz GEQKWBAFELYEGW-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnns1 ZINC001027711388 635124619 /nfs/dbraw/zinc/12/46/19/635124619.db2.gz MDNPQDSFYBZYSM-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1cnns1 ZINC001027711388 635124621 /nfs/dbraw/zinc/12/46/21/635124621.db2.gz MDNPQDSFYBZYSM-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1cocn1 ZINC001027789920 635153722 /nfs/dbraw/zinc/15/37/22/635153722.db2.gz LYMUTDPQSMXFKH-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1cocn1 ZINC001027789920 635153725 /nfs/dbraw/zinc/15/37/25/635153725.db2.gz LYMUTDPQSMXFKH-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C([C@H]1CCOC1)N1CCC[N@@H+](CCF)CC1 ZINC000980800980 635273680 /nfs/dbraw/zinc/27/36/80/635273680.db2.gz DCOBMXYZDRKIQV-NSHDSACASA-N 1 2 244.310 0.527 20 0 BCADLO O=C([C@H]1CCOC1)N1CCC[N@H+](CCF)CC1 ZINC000980800980 635273688 /nfs/dbraw/zinc/27/36/88/635273688.db2.gz DCOBMXYZDRKIQV-NSHDSACASA-N 1 2 244.310 0.527 20 0 BCADLO C[C@@H](O)[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894225275 635757405 /nfs/dbraw/zinc/75/74/05/635757405.db2.gz XANCSUNRLOTYGP-KOLCDFICSA-N 1 2 248.286 0.315 20 0 BCADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029180147 636003923 /nfs/dbraw/zinc/00/39/23/636003923.db2.gz XCCZTZNDYZUPFS-AOOOYVTPSA-N 1 2 230.283 0.278 20 0 BCADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029180147 636003927 /nfs/dbraw/zinc/00/39/27/636003927.db2.gz XCCZTZNDYZUPFS-AOOOYVTPSA-N 1 2 230.283 0.278 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NOCc1ccccn1 ZINC000909542725 636237101 /nfs/dbraw/zinc/23/71/01/636237101.db2.gz XZPZAZJZQVGXBD-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910787 636253318 /nfs/dbraw/zinc/25/33/18/636253318.db2.gz XONWTIZNFWNTLY-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO CCOc1n[nH]c(NC(=O)Cn2cc[nH+]c2)n1 ZINC000310520290 636264085 /nfs/dbraw/zinc/26/40/85/636264085.db2.gz LVFPDMZIOZSFAX-UHFFFAOYSA-N 1 2 236.235 0.039 20 0 BCADLO CNc1cc(N2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000127182338 636299484 /nfs/dbraw/zinc/29/94/84/636299484.db2.gz SQSCBJSOWRPUPC-QMMMGPOBSA-N 1 2 235.291 0.220 20 0 BCADLO CNc1cc(N2CCC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000127182338 636299489 /nfs/dbraw/zinc/29/94/89/636299489.db2.gz SQSCBJSOWRPUPC-QMMMGPOBSA-N 1 2 235.291 0.220 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000305790242 636332755 /nfs/dbraw/zinc/33/27/55/636332755.db2.gz TWYOSXSBITUQSD-JTQLQIEISA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000305790242 636332761 /nfs/dbraw/zinc/33/27/61/636332761.db2.gz TWYOSXSBITUQSD-JTQLQIEISA-N 1 2 215.293 0.642 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC000985852110 636424641 /nfs/dbraw/zinc/42/46/41/636424641.db2.gz BIXLLJYKJLLMPD-OIBJUYFYSA-N 1 2 240.332 0.637 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@H]1C ZINC000985835433 636426940 /nfs/dbraw/zinc/42/69/40/636426940.db2.gz YRBSZLDCRRFORH-XCBNKYQSSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000928895727 636471616 /nfs/dbraw/zinc/47/16/16/636471616.db2.gz CVMFHXUHWWNGIA-OUAUKWLOSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000928909575 636497776 /nfs/dbraw/zinc/49/77/76/636497776.db2.gz GTTLNNBEFQTUOG-SCZZXKLOSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000928909575 636497787 /nfs/dbraw/zinc/49/77/87/636497787.db2.gz GTTLNNBEFQTUOG-SCZZXKLOSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000928918376 636514734 /nfs/dbraw/zinc/51/47/34/636514734.db2.gz MAKGTMITYKFCMW-DBIOUOCHSA-N 1 2 249.314 0.675 20 0 BCADLO C[C@H]1OC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000871779325 636532508 /nfs/dbraw/zinc/53/25/08/636532508.db2.gz ARPKGTCZJAKHDZ-ZCFIWIBFSA-N 1 2 209.205 0.287 20 0 BCADLO C[C@H]1OC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000871780371 636534189 /nfs/dbraw/zinc/53/41/89/636534189.db2.gz DOZOTAQBTMPLEP-SSDOTTSWSA-N 1 2 223.232 0.330 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)c1csnn1 ZINC000872210392 636576323 /nfs/dbraw/zinc/57/63/23/636576323.db2.gz YEVBKBCDVCYXEW-HTQZYQBOSA-N 1 2 245.348 0.711 20 0 BCADLO C[C@@H](CC(=O)N1CCOCN1)n1cc[nH+]c1 ZINC000928946492 636604599 /nfs/dbraw/zinc/60/45/99/636604599.db2.gz IXFMGMJZDYJLRI-VIFPVBQESA-N 1 2 224.264 0.155 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865140726 636802105 /nfs/dbraw/zinc/80/21/05/636802105.db2.gz JJIINULESYSVAQ-WPRPVWTQSA-N 1 2 223.276 0.844 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000929108713 636805001 /nfs/dbraw/zinc/80/50/01/636805001.db2.gz FKLRONFWEPSWGY-QMMMGPOBSA-N 1 2 211.265 0.641 20 0 BCADLO Cc1nnc(CC[N@H+]2CCO[C@@H](C)C2)o1 ZINC000929108713 636805003 /nfs/dbraw/zinc/80/50/03/636805003.db2.gz FKLRONFWEPSWGY-QMMMGPOBSA-N 1 2 211.265 0.641 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCCC3(CCC3)O2)CCN1 ZINC000929138163 636829385 /nfs/dbraw/zinc/82/93/85/636829385.db2.gz QAYHOMAUIXBYHF-NSHDSACASA-N 1 2 238.331 0.910 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCCC3(CCC3)O2)CCN1 ZINC000929138163 636829389 /nfs/dbraw/zinc/82/93/89/636829389.db2.gz QAYHOMAUIXBYHF-NSHDSACASA-N 1 2 238.331 0.910 20 0 BCADLO C[C@]1([NH2+]Cc2nccs2)CCNC1=O ZINC000897872370 636841653 /nfs/dbraw/zinc/84/16/53/636841653.db2.gz SXISDQUOXQICRG-VIFPVBQESA-N 1 2 211.290 0.511 20 0 BCADLO c1cn(CCOCCn2cc[nH+]c2)cn1 ZINC000034539512 637012990 /nfs/dbraw/zinc/01/29/90/637012990.db2.gz AUIPSJOVESYDLS-UHFFFAOYSA-N 1 2 206.249 0.796 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC1(C)C ZINC000898887951 637062096 /nfs/dbraw/zinc/06/20/96/637062096.db2.gz GMEYOFXKWHBVJI-BDAKNGLRSA-N 1 2 237.303 0.616 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898889108 637063624 /nfs/dbraw/zinc/06/36/24/637063624.db2.gz OGOAFUVYZBFTAI-WCBMZHEXSA-N 1 2 243.282 0.564 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(C)(C)F ZINC000898890177 637062821 /nfs/dbraw/zinc/06/28/21/637062821.db2.gz SWNBEXFHGRYPKY-SSDOTTSWSA-N 1 2 229.255 0.318 20 0 BCADLO COCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000899718490 637123183 /nfs/dbraw/zinc/12/31/83/637123183.db2.gz JYVNARQCABWLNE-UHFFFAOYSA-N 1 2 220.232 0.301 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000900907539 637200285 /nfs/dbraw/zinc/20/02/85/637200285.db2.gz JOHKCCMGPWJWFE-AOOOYVTPSA-N 1 2 221.260 0.342 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900920197 637205242 /nfs/dbraw/zinc/20/52/42/637205242.db2.gz OOXDZOWDPAPVIE-CDAZIORVSA-N 1 2 209.249 0.271 20 0 BCADLO COCCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900928735 637213386 /nfs/dbraw/zinc/21/33/86/637213386.db2.gz YDDKBWGDJFLBDY-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCO1 ZINC000901007545 637220731 /nfs/dbraw/zinc/22/07/31/637220731.db2.gz QXSQWGVQHNFLKH-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO CN(CCOCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901012582 637223250 /nfs/dbraw/zinc/22/32/50/637223250.db2.gz NUMFUMSYBJOXKH-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CC1CC1 ZINC000901297322 637242844 /nfs/dbraw/zinc/24/28/44/637242844.db2.gz VJTHRLLEBLQFNU-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO FC(F)(F)c1nnn(CCCn2cc[nH+]c2)n1 ZINC000902647759 637318093 /nfs/dbraw/zinc/31/80/93/637318093.db2.gz WILNWKMOJLDOEG-UHFFFAOYSA-N 1 2 246.196 0.979 20 0 BCADLO NOCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000904462225 637407051 /nfs/dbraw/zinc/40/70/51/637407051.db2.gz SHLGOHQCRGWHPT-UHFFFAOYSA-N 1 2 249.274 0.736 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)C ZINC000905009332 637544115 /nfs/dbraw/zinc/54/41/15/637544115.db2.gz POALECGEYPYHMA-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccn[nH]1 ZINC000905047421 637564859 /nfs/dbraw/zinc/56/48/59/637564859.db2.gz FQURFSZOTKXYHE-NSHDSACASA-N 1 2 239.319 0.555 20 0 BCADLO C[C@H](CC(=O)Nc1cnnn1C)n1cc[nH+]c1 ZINC000905119524 637624182 /nfs/dbraw/zinc/62/41/82/637624182.db2.gz GFFIVHZWEADKSB-MRVPVSSYSA-N 1 2 234.263 0.601 20 0 BCADLO CC(F)(F)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905268767 637727387 /nfs/dbraw/zinc/72/73/87/637727387.db2.gz RKRXAKMFTKGJSR-WPRPVWTQSA-N 1 2 239.262 0.134 20 0 BCADLO NC1(c2noc(C3([NH3+])CCCC3)n2)CC1 ZINC000905314328 637741812 /nfs/dbraw/zinc/74/18/12/637741812.db2.gz GUZOVETYZHJXQD-UHFFFAOYSA-N 1 2 208.265 0.745 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OC ZINC000905768680 637923806 /nfs/dbraw/zinc/92/38/06/637923806.db2.gz AFNDWZYRHMVLIZ-IQJOONFLSA-N 1 2 244.335 0.688 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000905774566 637928825 /nfs/dbraw/zinc/92/88/25/637928825.db2.gz QPJBQISFJACVDF-AATLWQCWSA-N 1 2 242.319 0.428 20 0 BCADLO CON1CC[C@@H]([NH2+][C@H](C)c2ccn(C)n2)C1=O ZINC000905772943 637929357 /nfs/dbraw/zinc/92/93/57/637929357.db2.gz QSIMRINTLJYVSW-PSASIEDQSA-N 1 2 238.291 0.233 20 0 BCADLO COC(=O)Cc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817478 637945132 /nfs/dbraw/zinc/94/51/32/637945132.db2.gz QFESUMJTOKLTTK-UHFFFAOYSA-N 1 2 247.258 0.019 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000906128358 638058191 /nfs/dbraw/zinc/05/81/91/638058191.db2.gz BBWMXRILASDHGR-GMTAPVOTSA-N 1 2 237.303 0.670 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906280138 638125944 /nfs/dbraw/zinc/12/59/44/638125944.db2.gz KZOHLINGCBTABJ-KWQFWETISA-N 1 2 222.292 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906280138 638125949 /nfs/dbraw/zinc/12/59/49/638125949.db2.gz KZOHLINGCBTABJ-KWQFWETISA-N 1 2 222.292 0.426 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906267519 638130465 /nfs/dbraw/zinc/13/04/65/638130465.db2.gz WEOHZBVKNQUELR-UHFFFAOYSA-N 1 2 237.307 0.181 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906267519 638130469 /nfs/dbraw/zinc/13/04/69/638130469.db2.gz WEOHZBVKNQUELR-UHFFFAOYSA-N 1 2 237.307 0.181 20 0 BCADLO C[N@H+](CCCO)Cc1cn(C2CC2)nn1 ZINC000906300608 638136902 /nfs/dbraw/zinc/13/69/02/638136902.db2.gz PDZVJWNZTKKMIS-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO C[N@@H+](CCCO)Cc1cn(C2CC2)nn1 ZINC000906300608 638136905 /nfs/dbraw/zinc/13/69/05/638136905.db2.gz PDZVJWNZTKKMIS-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CC3)nn2)CC[C@@H]1O ZINC000906298954 638137300 /nfs/dbraw/zinc/13/73/00/638137300.db2.gz FRYLNHANFTVLON-CABZTGNLSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CC[C@@H]1O ZINC000906298954 638137304 /nfs/dbraw/zinc/13/73/04/638137304.db2.gz FRYLNHANFTVLON-CABZTGNLSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906304272 638138909 /nfs/dbraw/zinc/13/89/09/638138909.db2.gz GUVGQDFJBRGSID-LDYMZIIASA-N 1 2 222.292 0.568 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906304272 638138915 /nfs/dbraw/zinc/13/89/15/638138915.db2.gz GUVGQDFJBRGSID-LDYMZIIASA-N 1 2 222.292 0.568 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906303355 638139029 /nfs/dbraw/zinc/13/90/29/638139029.db2.gz WSKGYMLJFZPXLM-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906303355 638139031 /nfs/dbraw/zinc/13/90/31/638139031.db2.gz WSKGYMLJFZPXLM-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906303356 638139443 /nfs/dbraw/zinc/13/94/43/638139443.db2.gz WSKGYMLJFZPXLM-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906303356 638139448 /nfs/dbraw/zinc/13/94/48/638139448.db2.gz WSKGYMLJFZPXLM-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000906640669 638226802 /nfs/dbraw/zinc/22/68/02/638226802.db2.gz UQPVUOKSJPFBDL-FBIMIBRVSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC[N@@H+]1C ZINC000906816641 638246225 /nfs/dbraw/zinc/24/62/25/638246225.db2.gz UTHBSIGQGORWFA-LLHIFLOGSA-N 1 2 236.315 0.374 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC[N@H+]1C ZINC000906816641 638246228 /nfs/dbraw/zinc/24/62/28/638246228.db2.gz UTHBSIGQGORWFA-LLHIFLOGSA-N 1 2 236.315 0.374 20 0 BCADLO Cc1cc(C)c(C(=O)N2CC(O)C2)c(C)[nH+]1 ZINC000906970062 638280516 /nfs/dbraw/zinc/28/05/16/638280516.db2.gz DEFSWUACRYPJGB-UHFFFAOYSA-N 1 2 220.272 0.824 20 0 BCADLO Cc1cc(C)c(C(=O)N[C@H]2CNC(=O)C2)c(C)[nH+]1 ZINC000907239843 638327176 /nfs/dbraw/zinc/32/71/76/638327176.db2.gz YPESWVNXCAPEPR-SNVBAGLBSA-N 1 2 247.298 0.625 20 0 BCADLO CN(CC1(O)CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907369344 638363506 /nfs/dbraw/zinc/36/35/06/638363506.db2.gz LRMYDMBFHQAYKW-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907453913 638387427 /nfs/dbraw/zinc/38/74/27/638387427.db2.gz CRMATUGJYDAQRL-PKRMOACSSA-N 1 2 223.276 0.396 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907526809 638395856 /nfs/dbraw/zinc/39/58/56/638395856.db2.gz TYYIQYFNOBORGS-AQHVTNBVSA-N 1 2 235.287 0.251 20 0 BCADLO Cc1cnccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907551689 638405295 /nfs/dbraw/zinc/40/52/95/638405295.db2.gz RCPQMCZONHQSPW-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CO ZINC000907632202 638426030 /nfs/dbraw/zinc/42/60/30/638426030.db2.gz MNWWJRUHBQFZAM-PSASIEDQSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H](O)CC(F)(F)C1 ZINC000907664349 638438423 /nfs/dbraw/zinc/43/84/23/638438423.db2.gz WVNUTNOBXZWNCN-MRVPVSSYSA-N 1 2 245.229 0.181 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1CC[C@H](O)C1 ZINC000907674904 638441398 /nfs/dbraw/zinc/44/13/98/638441398.db2.gz HIJSGRGQZNCDPC-MNOVXSKESA-N 1 2 249.314 0.771 20 0 BCADLO CC(C)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000907692748 638448549 /nfs/dbraw/zinc/44/85/49/638448549.db2.gz QAIBQNPVYSONBK-NSHDSACASA-N 1 2 239.319 0.864 20 0 BCADLO C/C(=C\C(=O)N1CC(C)C1)C[NH+]1CCOCC1 ZINC000907765057 638464100 /nfs/dbraw/zinc/46/41/00/638464100.db2.gz FBKQSGCQOGKKII-YRNVUSSQSA-N 1 2 238.331 0.743 20 0 BCADLO C[C@H](O)CCCNC(=O)CNc1cccc[nH+]1 ZINC000907833317 638482849 /nfs/dbraw/zinc/48/28/49/638482849.db2.gz FXMXJDODISAHNK-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C2CC2)O1 ZINC000907868387 638493584 /nfs/dbraw/zinc/49/35/84/638493584.db2.gz TYVZAWHWXLXWHD-CABZTGNLSA-N 1 2 249.314 0.978 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCC1(O)CCC1 ZINC000908085204 638562698 /nfs/dbraw/zinc/56/26/98/638562698.db2.gz RLCLPUHIZLMXQX-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCF ZINC000908146962 638573021 /nfs/dbraw/zinc/57/30/21/638573021.db2.gz WJSCBPFYRJWBSR-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCCOC2 ZINC000908225938 638604439 /nfs/dbraw/zinc/60/44/39/638604439.db2.gz AFNKBAQKTKJTEX-UHFFFAOYSA-N 1 2 235.287 0.591 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000908257672 638623693 /nfs/dbraw/zinc/62/36/93/638623693.db2.gz FALQCUFABAZPSA-SCZZXKLOSA-N 1 2 225.292 0.443 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908321207 638642850 /nfs/dbraw/zinc/64/28/50/638642850.db2.gz WZMAUZCXSGLNJW-VIFPVBQESA-N 1 2 223.276 0.324 20 0 BCADLO CO[C@](C)(CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000908319831 638643090 /nfs/dbraw/zinc/64/30/90/638643090.db2.gz OARXDRRFAPJXBQ-GFCCVEGCSA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908301096 638650611 /nfs/dbraw/zinc/65/06/11/638650611.db2.gz RACBEZWFLVITJQ-SECBINFHSA-N 1 2 211.265 0.493 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000908390512 638689116 /nfs/dbraw/zinc/68/91/16/638689116.db2.gz XHEYYECKBUMPJL-LLVKDONJSA-N 1 2 242.319 0.145 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000908390512 638689123 /nfs/dbraw/zinc/68/91/23/638689123.db2.gz XHEYYECKBUMPJL-LLVKDONJSA-N 1 2 242.319 0.145 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000908390513 638689506 /nfs/dbraw/zinc/68/95/06/638689506.db2.gz XHEYYECKBUMPJL-NSHDSACASA-N 1 2 242.319 0.145 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000908390513 638689509 /nfs/dbraw/zinc/68/95/09/638689509.db2.gz XHEYYECKBUMPJL-NSHDSACASA-N 1 2 242.319 0.145 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NC2CC(=O)C2)c[nH+]1 ZINC000908463259 638723333 /nfs/dbraw/zinc/72/33/33/638723333.db2.gz FFZMZKHJRWUQTO-UHFFFAOYSA-N 1 2 235.287 0.774 20 0 BCADLO C[C@H](CC(C)(C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908579394 639015850 /nfs/dbraw/zinc/01/58/50/639015850.db2.gz OKJCWSIUQHEYFT-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C(C)(C)O ZINC000908586916 639025201 /nfs/dbraw/zinc/02/52/01/639025201.db2.gz MXMGQGSRDZZDEG-QMMMGPOBSA-N 1 2 225.292 0.570 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757493 639061550 /nfs/dbraw/zinc/06/15/50/639061550.db2.gz BCGXXDCCQKZWQF-PKZYVASSSA-N 1 2 249.314 0.595 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908761417 639063237 /nfs/dbraw/zinc/06/32/37/639063237.db2.gz SHRZCPCEIUFATN-XVHVLHHCSA-N 1 2 249.314 0.641 20 0 BCADLO CCc1nc[nH]c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758578 639063820 /nfs/dbraw/zinc/06/38/20/639063820.db2.gz NVTSHGOGAUNVJN-QMMMGPOBSA-N 1 2 245.286 0.523 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000155606262 639131413 /nfs/dbraw/zinc/13/14/13/639131413.db2.gz BDTIKYPSSWWSPX-ZJUUUORDSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000155606262 639131415 /nfs/dbraw/zinc/13/14/15/639131415.db2.gz BDTIKYPSSWWSPX-ZJUUUORDSA-N 1 2 241.287 0.577 20 0 BCADLO CC[C@@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000909927389 639276402 /nfs/dbraw/zinc/27/64/02/639276402.db2.gz KGHKPWVSYJCCPQ-LLVKDONJSA-N 1 2 226.276 0.667 20 0 BCADLO CC[C@@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000909928542 639277900 /nfs/dbraw/zinc/27/79/00/639277900.db2.gz VZXPDUMPUBFBCU-LLVKDONJSA-N 1 2 224.260 0.868 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](CF)C1 ZINC000910401680 639430128 /nfs/dbraw/zinc/43/01/28/639430128.db2.gz AZLCRYCZJLALGY-VIFPVBQESA-N 1 2 227.239 0.149 20 0 BCADLO CCn1ccnc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000910504963 639471409 /nfs/dbraw/zinc/47/14/09/639471409.db2.gz HQRJPBRHNSUBOZ-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO COC(=O)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000911172469 639593478 /nfs/dbraw/zinc/59/34/78/639593478.db2.gz PQSKSZZJUYPEQC-UHFFFAOYSA-N 1 2 236.271 0.878 20 0 BCADLO C[C@H]1CN=C(NC(=O)Cc2c[nH]c[nH+]2)S1 ZINC000911334354 639621224 /nfs/dbraw/zinc/62/12/24/639621224.db2.gz XCAWYKYJENRSNA-LURJTMIESA-N 1 2 224.289 0.560 20 0 BCADLO CCC[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000930221223 639639726 /nfs/dbraw/zinc/63/97/26/639639726.db2.gz HOOQVPJJJTUGIR-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CC[C@H](C)C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911539905 639668864 /nfs/dbraw/zinc/66/88/64/639668864.db2.gz FEEZYNPMAVVOLY-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCN(C)C(C)(C)C2)C1=O ZINC000930313166 639698242 /nfs/dbraw/zinc/69/82/42/639698242.db2.gz YGYHVIIMKBDUQO-SNVBAGLBSA-N 1 2 241.335 0.175 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCN(C)C(C)(C)C2)C1=O ZINC000930313166 639698248 /nfs/dbraw/zinc/69/82/48/639698248.db2.gz YGYHVIIMKBDUQO-SNVBAGLBSA-N 1 2 241.335 0.175 20 0 BCADLO CCOCCOCC[N@@H+]1CC(=O)NCC1(C)C ZINC000930338764 639711303 /nfs/dbraw/zinc/71/13/03/639711303.db2.gz NYLPXYZGDVWZQE-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCOCC[N@H+]1CC(=O)NCC1(C)C ZINC000930338764 639711314 /nfs/dbraw/zinc/71/13/14/639711314.db2.gz NYLPXYZGDVWZQE-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO Cc1nocc1NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000911675523 639717085 /nfs/dbraw/zinc/71/70/85/639717085.db2.gz CMKSUWXLKBGTBK-KCJUWKMLSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1nocc1NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000911675523 639717091 /nfs/dbraw/zinc/71/70/91/639717091.db2.gz CMKSUWXLKBGTBK-KCJUWKMLSA-N 1 2 239.275 0.377 20 0 BCADLO O[C@H](C[N@@H+]1Cc2ccncc2C1)C1(O)CCC1 ZINC000930462431 639766014 /nfs/dbraw/zinc/76/60/14/639766014.db2.gz JKRAYCKVKZUSSI-GFCCVEGCSA-N 1 2 234.299 0.673 20 0 BCADLO O[C@H](C[N@H+]1Cc2ccncc2C1)C1(O)CCC1 ZINC000930462431 639766025 /nfs/dbraw/zinc/76/60/25/639766025.db2.gz JKRAYCKVKZUSSI-GFCCVEGCSA-N 1 2 234.299 0.673 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)CO)n1 ZINC000930474918 639772226 /nfs/dbraw/zinc/77/22/26/639772226.db2.gz BZFWJPDMIFONGR-UWVGGRQHSA-N 1 2 241.291 0.258 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)CO)n1 ZINC000930474918 639772230 /nfs/dbraw/zinc/77/22/30/639772230.db2.gz BZFWJPDMIFONGR-UWVGGRQHSA-N 1 2 241.291 0.258 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nncs1 ZINC000930530021 639802701 /nfs/dbraw/zinc/80/27/01/639802701.db2.gz LKNOJQZVHVYFFY-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nncs1 ZINC000930530021 639802705 /nfs/dbraw/zinc/80/27/05/639802705.db2.gz LKNOJQZVHVYFFY-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO Cc1ncc(C[N@@H+](C)C(C)(C)C(N)=O)o1 ZINC000930596851 639816033 /nfs/dbraw/zinc/81/60/33/639816033.db2.gz QAURVPHZIZVEIP-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1ncc(C[N@H+](C)C(C)(C)C(N)=O)o1 ZINC000930596851 639816034 /nfs/dbraw/zinc/81/60/34/639816034.db2.gz QAURVPHZIZVEIP-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO CCOC(=O)/C=C\C[N@H+](C1CC1)C1COC1 ZINC000930598176 639816224 /nfs/dbraw/zinc/81/62/24/639816224.db2.gz PYJSYILVDIIKRW-ARJAWSKDSA-N 1 2 225.288 0.969 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+](C1CC1)C1COC1 ZINC000930598176 639816225 /nfs/dbraw/zinc/81/62/25/639816225.db2.gz PYJSYILVDIIKRW-ARJAWSKDSA-N 1 2 225.288 0.969 20 0 BCADLO CCC[C@@H](C)[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911875627 639862831 /nfs/dbraw/zinc/86/28/31/639862831.db2.gz UJXLRLISFYGZJP-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000911890623 639870351 /nfs/dbraw/zinc/87/03/51/639870351.db2.gz BLYCFTMUYKZONT-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C1(O)CCC1)c1csnn1 ZINC000930727464 639882421 /nfs/dbraw/zinc/88/24/21/639882421.db2.gz SXUHJDOUXFJWHJ-APPZFPTMSA-N 1 2 243.332 0.465 20 0 BCADLO NS(=O)(=O)C1C[NH+](CCCC2CC2)C1 ZINC000930734640 639884417 /nfs/dbraw/zinc/88/44/17/639884417.db2.gz IHJBEXTZFCGJKW-UHFFFAOYSA-N 1 2 218.322 0.149 20 0 BCADLO CCN(C(=O)Cc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000912063115 639932571 /nfs/dbraw/zinc/93/25/71/639932571.db2.gz DTLRKKOJTBBICK-UHFFFAOYSA-N 1 2 233.275 0.739 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOC(F)F ZINC000930843441 639940979 /nfs/dbraw/zinc/94/09/79/639940979.db2.gz RPEZVHKGIJZAKW-XLPZGREQSA-N 1 2 236.262 0.823 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOC(F)F ZINC000930843441 639940984 /nfs/dbraw/zinc/94/09/84/639940984.db2.gz RPEZVHKGIJZAKW-XLPZGREQSA-N 1 2 236.262 0.823 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]1C(F)(F)F ZINC000912080764 639949894 /nfs/dbraw/zinc/94/98/94/639949894.db2.gz KGUGGYMUJLRRKH-MRVPVSSYSA-N 1 2 249.192 0.699 20 0 BCADLO CC1(C)C[C@@](C)([NH2+]C[C@H](O)C2CC2)C(=O)O1 ZINC000930871286 639961927 /nfs/dbraw/zinc/96/19/27/639961927.db2.gz AHBCETSMMCHTJV-JOYOIKCWSA-N 1 2 227.304 0.831 20 0 BCADLO C[C@@H]1CCCCN1NC(=O)Cc1[nH]cc[nH+]1 ZINC000912143286 639967828 /nfs/dbraw/zinc/96/78/28/639967828.db2.gz ZICRGYRRBVAOBZ-SECBINFHSA-N 1 2 222.292 0.858 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)C12CC(C1)C[NH2+]2 ZINC000912248790 640011255 /nfs/dbraw/zinc/01/12/55/640011255.db2.gz GPBJHZYDFYMJBQ-UHFFFAOYSA-N 1 2 243.270 0.648 20 0 BCADLO Cn1c(NC(=O)Cc2c[nH]c[nH+]2)nnc1C1CC1 ZINC000912293250 640019738 /nfs/dbraw/zinc/01/97/38/640019738.db2.gz YIZQEGLDNBRQAC-UHFFFAOYSA-N 1 2 246.274 0.597 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CCO1 ZINC000931035624 640029513 /nfs/dbraw/zinc/02/95/13/640029513.db2.gz QVASAHDMAZIRLV-YFKTTZPYSA-N 1 2 243.303 0.095 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CCO1 ZINC000931035624 640029517 /nfs/dbraw/zinc/02/95/17/640029517.db2.gz QVASAHDMAZIRLV-YFKTTZPYSA-N 1 2 243.303 0.095 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC/C=C\CO ZINC000912385993 640037971 /nfs/dbraw/zinc/03/79/71/640037971.db2.gz UBZKNWHMXGLSSC-ARJAWSKDSA-N 1 2 221.260 0.158 20 0 BCADLO C[C@H](NC(=O)CNc1cccc[nH+]1)C1(CO)CC1 ZINC000912399804 640052069 /nfs/dbraw/zinc/05/20/69/640052069.db2.gz ZAPCINFXUGMEIX-JTQLQIEISA-N 1 2 249.314 0.771 20 0 BCADLO c1nnc(C[N@@H+]2CCC3(COC3)C2)s1 ZINC000931063894 640053448 /nfs/dbraw/zinc/05/34/48/640053448.db2.gz ZNWNKRQHLCMCPX-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO c1nnc(C[N@H+]2CCC3(COC3)C2)s1 ZINC000931063894 640053450 /nfs/dbraw/zinc/05/34/50/640053450.db2.gz ZNWNKRQHLCMCPX-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO Cn1cc(CC[N@@H+]2CCC[C@H]2c2nnc[nH]2)cn1 ZINC000931135140 640071843 /nfs/dbraw/zinc/07/18/43/640071843.db2.gz SUPCTJUEWDQIBT-NSHDSACASA-N 1 2 246.318 0.918 20 0 BCADLO Cn1cc(CC[N@H+]2CCC[C@H]2c2nnc[nH]2)cn1 ZINC000931135140 640071846 /nfs/dbraw/zinc/07/18/46/640071846.db2.gz SUPCTJUEWDQIBT-NSHDSACASA-N 1 2 246.318 0.918 20 0 BCADLO C[N@H+](CCC1CCC1)C1CS(=O)(=O)C1 ZINC000931234113 640109008 /nfs/dbraw/zinc/10/90/08/640109008.db2.gz QZBYXLGWTUSJOO-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[N@@H+](CCC1CCC1)C1CS(=O)(=O)C1 ZINC000931234113 640109013 /nfs/dbraw/zinc/10/90/13/640109013.db2.gz QZBYXLGWTUSJOO-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000931180681 640093281 /nfs/dbraw/zinc/09/32/81/640093281.db2.gz XKLIHBZPWRJRNT-JTQLQIEISA-N 1 2 240.282 0.302 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(CCF)c1 ZINC000931180681 640093284 /nfs/dbraw/zinc/09/32/84/640093284.db2.gz XKLIHBZPWRJRNT-JTQLQIEISA-N 1 2 240.282 0.302 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000912521074 640108727 /nfs/dbraw/zinc/10/87/27/640108727.db2.gz CMOSPZPVVLQKMP-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584697 640122678 /nfs/dbraw/zinc/12/26/78/640122678.db2.gz SDIAREWMUATMTA-SXAXMNFYSA-N 1 2 221.260 0.381 20 0 BCADLO CC(=O)CC[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000156076623 640133689 /nfs/dbraw/zinc/13/36/89/640133689.db2.gz PMRQBMODOBJDAB-UWVGGRQHSA-N 1 2 235.349 0.719 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000156076623 640133679 /nfs/dbraw/zinc/13/36/79/640133679.db2.gz PMRQBMODOBJDAB-UWVGGRQHSA-N 1 2 235.349 0.719 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613830 640135885 /nfs/dbraw/zinc/13/58/85/640135885.db2.gz DGZUKSMNJHMPMX-YEZKRMTDSA-N 1 2 237.303 0.671 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C=C1CCC1 ZINC000912613580 640136930 /nfs/dbraw/zinc/13/69/30/640136930.db2.gz CWEOOTBVPINMIV-JTQLQIEISA-N 1 2 235.287 0.680 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613828 640137289 /nfs/dbraw/zinc/13/72/89/640137289.db2.gz DGZUKSMNJHMPMX-ORAHPGNNSA-N 1 2 237.303 0.671 20 0 BCADLO C/C=C(\C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912613630 640138234 /nfs/dbraw/zinc/13/82/34/640138234.db2.gz DUSXLTTUWXIHFQ-SGDMMICCSA-N 1 2 223.276 0.536 20 0 BCADLO CC/C(C)=C/C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912612813 640138546 /nfs/dbraw/zinc/13/85/46/640138546.db2.gz RRAALWPWSJMEMR-NAZIUFLLSA-N 1 2 237.303 0.926 20 0 BCADLO CC(C)(CNC(=O)Cc1ncc[nH]1)n1cc[nH+]c1 ZINC000912614720 640138923 /nfs/dbraw/zinc/13/89/23/640138923.db2.gz SHQYJXMOGDIILG-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1CSC1 ZINC000912630429 640146740 /nfs/dbraw/zinc/14/67/40/640146740.db2.gz JYVTVZIRHYLETC-UHFFFAOYSA-N 1 2 223.301 0.725 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nnc(OC)s1 ZINC000931382942 640172540 /nfs/dbraw/zinc/17/25/40/640172540.db2.gz CISJVPFXFAYFHM-SECBINFHSA-N 1 2 247.320 0.034 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931403556 640181550 /nfs/dbraw/zinc/18/15/50/640181550.db2.gz MYKRXWJBRLHKRS-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931403556 640181555 /nfs/dbraw/zinc/18/15/55/640181555.db2.gz MYKRXWJBRLHKRS-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO CC/C=C\CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931401288 640182645 /nfs/dbraw/zinc/18/26/45/640182645.db2.gz IKHHMJSAPFCQIE-QMAVJUDZSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C\CCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931401288 640182648 /nfs/dbraw/zinc/18/26/48/640182648.db2.gz IKHHMJSAPFCQIE-QMAVJUDZSA-N 1 2 212.337 0.951 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931408930 640183184 /nfs/dbraw/zinc/18/31/84/640183184.db2.gz HDHYJIWRIOSJTF-WCQYABFASA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931408930 640183187 /nfs/dbraw/zinc/18/31/87/640183187.db2.gz HDHYJIWRIOSJTF-WCQYABFASA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409043 640185078 /nfs/dbraw/zinc/18/50/78/640185078.db2.gz ICZWVZWYSNGWAS-DGCLKSJQSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409043 640185081 /nfs/dbraw/zinc/18/50/81/640185081.db2.gz ICZWVZWYSNGWAS-DGCLKSJQSA-N 1 2 235.331 0.751 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912738483 640188113 /nfs/dbraw/zinc/18/81/13/640188113.db2.gz GTTSJMWWUJOIJR-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912738483 640188115 /nfs/dbraw/zinc/18/81/15/640188115.db2.gz GTTSJMWWUJOIJR-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(F)CCCC2)[C@@H](CO)C1 ZINC000912740332 640189455 /nfs/dbraw/zinc/18/94/55/640189455.db2.gz VBKHNAWCIFBQHL-SNVBAGLBSA-N 1 2 244.310 0.404 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(F)CCCC2)[C@@H](CO)C1 ZINC000912740332 640189460 /nfs/dbraw/zinc/18/94/60/640189460.db2.gz VBKHNAWCIFBQHL-SNVBAGLBSA-N 1 2 244.310 0.404 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740930 640191170 /nfs/dbraw/zinc/19/11/70/640191170.db2.gz GYSMPLJIHFALPF-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740930 640191174 /nfs/dbraw/zinc/19/11/74/640191174.db2.gz GYSMPLJIHFALPF-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CC(C)NC(=O)C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931451799 640212899 /nfs/dbraw/zinc/21/28/99/640212899.db2.gz BNNAALJDKNHCKL-SECBINFHSA-N 1 2 236.319 0.853 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931451799 640212907 /nfs/dbraw/zinc/21/29/07/640212907.db2.gz BNNAALJDKNHCKL-SECBINFHSA-N 1 2 236.319 0.853 20 0 BCADLO CNC(=O)C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456083 640214731 /nfs/dbraw/zinc/21/47/31/640214731.db2.gz NRDSZQFISYPSTN-SSDOTTSWSA-N 1 2 208.265 0.075 20 0 BCADLO CNC(=O)C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456083 640214735 /nfs/dbraw/zinc/21/47/35/640214735.db2.gz NRDSZQFISYPSTN-SSDOTTSWSA-N 1 2 208.265 0.075 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2C)Cc2c[nH]nc21 ZINC000931459681 640217928 /nfs/dbraw/zinc/21/79/28/640217928.db2.gz SDGMZSNCNCCRFL-MRVPVSSYSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)Cc2c[nH]nc21 ZINC000931459681 640217932 /nfs/dbraw/zinc/21/79/32/640217932.db2.gz SDGMZSNCNCCRFL-MRVPVSSYSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462603 640223244 /nfs/dbraw/zinc/22/32/44/640223244.db2.gz RPKAOQJZCOIVKO-ZETCQYMHSA-N 1 2 218.264 0.647 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462603 640223251 /nfs/dbraw/zinc/22/32/51/640223251.db2.gz RPKAOQJZCOIVKO-ZETCQYMHSA-N 1 2 218.264 0.647 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CCCOC1 ZINC000912974674 640259704 /nfs/dbraw/zinc/25/97/04/640259704.db2.gz VIOOOVVYMDBSRG-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931656072 640304219 /nfs/dbraw/zinc/30/42/19/640304219.db2.gz NFBXLFAWOPFDSM-POYBYMJQSA-N 1 2 237.307 0.288 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931656073 640305679 /nfs/dbraw/zinc/30/56/79/640305679.db2.gz NFBXLFAWOPFDSM-SVRRBLITSA-N 1 2 237.307 0.288 20 0 BCADLO COC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913152569 640314290 /nfs/dbraw/zinc/31/42/90/640314290.db2.gz OJKXHJOHEYSDTD-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO C/C=C\CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913166010 640315537 /nfs/dbraw/zinc/31/55/37/640315537.db2.gz GHDCHLSNRDYOCR-BJQBXBTNSA-N 1 2 238.331 0.957 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H]1C[C@@H](O)C1 ZINC000913168647 640318064 /nfs/dbraw/zinc/31/80/64/640318064.db2.gz UYTGYIRUTDAGQJ-AOOOYVTPSA-N 1 2 235.287 0.381 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931746388 640345011 /nfs/dbraw/zinc/34/50/11/640345011.db2.gz HIHXNZDZINKFCT-LNFKQOIKSA-N 1 2 245.319 0.266 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931746388 640345012 /nfs/dbraw/zinc/34/50/12/640345012.db2.gz HIHXNZDZINKFCT-LNFKQOIKSA-N 1 2 245.319 0.266 20 0 BCADLO CCn1cc(C[N@@H+]2CCCn3nncc3C2)nn1 ZINC000931743774 640345537 /nfs/dbraw/zinc/34/55/37/640345537.db2.gz GXLILCAGYHMKMA-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO CCn1cc(C[N@H+]2CCCn3nncc3C2)nn1 ZINC000931743774 640345542 /nfs/dbraw/zinc/34/55/42/640345542.db2.gz GXLILCAGYHMKMA-UHFFFAOYSA-N 1 2 247.306 0.295 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(c2ccccn2)C1 ZINC000913382134 640364455 /nfs/dbraw/zinc/36/44/55/640364455.db2.gz SFALIRRMDGLUTI-UHFFFAOYSA-N 1 2 242.282 0.973 20 0 BCADLO O=C(/C=C\C1CC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447724 640373399 /nfs/dbraw/zinc/37/33/99/640373399.db2.gz SRCQQWKJXBWPBQ-MVZIDQBPSA-N 1 2 246.314 0.849 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC000913533576 640387349 /nfs/dbraw/zinc/38/73/49/640387349.db2.gz SKUTWCIPEAJURC-PHIMTYICSA-N 1 2 249.318 0.042 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC000913533576 640387357 /nfs/dbraw/zinc/38/73/57/640387357.db2.gz SKUTWCIPEAJURC-PHIMTYICSA-N 1 2 249.318 0.042 20 0 BCADLO C[N@@H+]1CCN(C(=O)CSC2CC2)C[C@H]1CO ZINC000913542761 640391248 /nfs/dbraw/zinc/39/12/48/640391248.db2.gz RETDCUJWZDCCHV-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO C[N@H+]1CCN(C(=O)CSC2CC2)C[C@H]1CO ZINC000913542761 640391253 /nfs/dbraw/zinc/39/12/53/640391253.db2.gz RETDCUJWZDCCHV-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CO ZINC000913544293 640391842 /nfs/dbraw/zinc/39/18/42/640391842.db2.gz AZXOXXNMGHHIGU-JTQLQIEISA-N 1 2 244.310 0.404 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CO ZINC000913544293 640391845 /nfs/dbraw/zinc/39/18/45/640391845.db2.gz AZXOXXNMGHHIGU-JTQLQIEISA-N 1 2 244.310 0.404 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545287 640394724 /nfs/dbraw/zinc/39/47/24/640394724.db2.gz ZKZGFLUYQCNVAA-SRVKXCTJSA-N 1 2 240.347 0.413 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545287 640394729 /nfs/dbraw/zinc/39/47/29/640394729.db2.gz ZKZGFLUYQCNVAA-SRVKXCTJSA-N 1 2 240.347 0.413 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CC(=O)OC)C[C@H]1C ZINC000932101751 640424070 /nfs/dbraw/zinc/42/40/70/640424070.db2.gz IKXXOONPOFUUNC-RKDXNWHRSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CC(=O)OC)C[C@H]1C ZINC000932101751 640424078 /nfs/dbraw/zinc/42/40/78/640424078.db2.gz IKXXOONPOFUUNC-RKDXNWHRSA-N 1 2 229.276 0.290 20 0 BCADLO CCNC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932367000 640502221 /nfs/dbraw/zinc/50/22/21/640502221.db2.gz LMXZQCBKYKYLSX-LLVKDONJSA-N 1 2 234.303 0.653 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001030038647 640528983 /nfs/dbraw/zinc/52/89/83/640528983.db2.gz SCUFIGRHLKJMQN-LURJTMIESA-N 1 2 224.226 0.800 20 0 BCADLO O=C(COC(F)(F)F)NCCc1[nH]cc[nH+]1 ZINC000932475968 640542824 /nfs/dbraw/zinc/54/28/24/640542824.db2.gz UIINEHYWBGCFHT-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO CC[C@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000932478542 640544641 /nfs/dbraw/zinc/54/46/41/640544641.db2.gz KSBPZQCLGLJSSJ-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO CCc1noc(C[N@H+](CC)CCC(N)=O)n1 ZINC000932480710 640548591 /nfs/dbraw/zinc/54/85/91/640548591.db2.gz DQHRKHPNFAFILT-UHFFFAOYSA-N 1 2 226.280 0.329 20 0 BCADLO CCc1noc(C[N@@H+](CC)CCC(N)=O)n1 ZINC000932480710 640548596 /nfs/dbraw/zinc/54/85/96/640548596.db2.gz DQHRKHPNFAFILT-UHFFFAOYSA-N 1 2 226.280 0.329 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccncc1 ZINC001030055537 640552728 /nfs/dbraw/zinc/55/27/28/640552728.db2.gz FDVRETKNYAXLSK-UHFFFAOYSA-N 1 2 237.278 0.855 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030056124 640553147 /nfs/dbraw/zinc/55/31/47/640553147.db2.gz NDILJGOKKSVPNO-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000932489753 640554415 /nfs/dbraw/zinc/55/44/15/640554415.db2.gz SDYHMIICIIJAHR-WPRPVWTQSA-N 1 2 248.286 0.147 20 0 BCADLO COCCc1noc(C[NH2+][C@@H]2COC[C@@H]2C)n1 ZINC000932502766 640560006 /nfs/dbraw/zinc/56/00/06/640560006.db2.gz WYJCGIHSIGBFDA-DTWKUNHWSA-N 1 2 241.291 0.383 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030075739 640579695 /nfs/dbraw/zinc/57/96/95/640579695.db2.gz VCXATHYDEDSUTC-PSASIEDQSA-N 1 2 214.284 0.802 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+]1CCn2cccc2C1 ZINC000932526203 640565734 /nfs/dbraw/zinc/56/57/34/640565734.db2.gz SBFILEGDVTZMMI-GFCCVEGCSA-N 1 2 238.287 0.228 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+]1CCn2cccc2C1 ZINC000932526203 640565742 /nfs/dbraw/zinc/56/57/42/640565742.db2.gz SBFILEGDVTZMMI-GFCCVEGCSA-N 1 2 238.287 0.228 20 0 BCADLO Cc1ccccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030065143 640568544 /nfs/dbraw/zinc/56/85/44/640568544.db2.gz SNWZOQZRTYFAFQ-UHFFFAOYSA-N 1 2 248.326 0.791 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030077155 640580247 /nfs/dbraw/zinc/58/02/47/640580247.db2.gz YUWBVRSSRAVRJI-CMPLNLGQSA-N 1 2 248.330 0.340 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030075746 640580961 /nfs/dbraw/zinc/58/09/61/640580961.db2.gz VCXATHYDEDSUTC-WPRPVWTQSA-N 1 2 214.284 0.802 20 0 BCADLO CCC[C@H](O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000932604732 640582758 /nfs/dbraw/zinc/58/27/58/640582758.db2.gz DYGISFMTRWALMA-JTQLQIEISA-N 1 2 208.261 0.911 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC001030081523 640583278 /nfs/dbraw/zinc/58/32/78/640583278.db2.gz LATTZYSSECSPNS-LBPRGKRZSA-N 1 2 238.331 0.932 20 0 BCADLO O=C(C[C@H]1C=CCC1)NC1C[NH+](CCCO)C1 ZINC001030090977 640586739 /nfs/dbraw/zinc/58/67/39/640586739.db2.gz ZYRVZJQHBOZPSV-NSHDSACASA-N 1 2 238.331 0.526 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000932640095 640592870 /nfs/dbraw/zinc/59/28/70/640592870.db2.gz UGANRUVUTWGTOS-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000932640095 640592875 /nfs/dbraw/zinc/59/28/75/640592875.db2.gz UGANRUVUTWGTOS-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100308 640593942 /nfs/dbraw/zinc/59/39/42/640593942.db2.gz OUYKNDQAHVNBQG-SECBINFHSA-N 1 2 237.303 0.464 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000932640170 640594340 /nfs/dbraw/zinc/59/43/40/640594340.db2.gz VOAPQAGMOBOBQF-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000932640170 640594349 /nfs/dbraw/zinc/59/43/49/640594349.db2.gz VOAPQAGMOBOBQF-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030102967 640595421 /nfs/dbraw/zinc/59/54/21/640595421.db2.gz YLPFRMGRVUKFFT-VIFPVBQESA-N 1 2 237.303 0.464 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000932644827 640596557 /nfs/dbraw/zinc/59/65/57/640596557.db2.gz RVDNFWCOLSUTHJ-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000932644827 640596565 /nfs/dbraw/zinc/59/65/65/640596565.db2.gz RVDNFWCOLSUTHJ-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cn1 ZINC001030111576 640602408 /nfs/dbraw/zinc/60/24/08/640602408.db2.gz CKMHXLUDQLUSSV-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO CC[C@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932827264 640612611 /nfs/dbraw/zinc/61/26/11/640612611.db2.gz SJNHXHRYMAFYFD-NSHDSACASA-N 1 2 223.276 0.427 20 0 BCADLO O=C(Cc1ccon1)NC1C[NH+](CCCF)C1 ZINC001030166850 640650494 /nfs/dbraw/zinc/65/04/94/640650494.db2.gz KMXXBPSGCROQKP-UHFFFAOYSA-N 1 2 241.266 0.377 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030170939 640652659 /nfs/dbraw/zinc/65/26/59/640652659.db2.gz XQTDVGSKAJQKKK-JTQLQIEISA-N 1 2 238.331 0.788 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2cnn(CC)n2)C1 ZINC000932971671 640655813 /nfs/dbraw/zinc/65/58/13/640655813.db2.gz NZZIRIQMXJJUMO-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000932971671 640655816 /nfs/dbraw/zinc/65/58/16/640655816.db2.gz NZZIRIQMXJJUMO-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO Cc1cncc(C(=O)NC2C[NH+](C[C@H](C)O)C2)c1 ZINC001030187073 640665925 /nfs/dbraw/zinc/66/59/25/640665925.db2.gz ZDYUCZIPQIFSTD-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030189985 640668241 /nfs/dbraw/zinc/66/82/41/640668241.db2.gz FQZBQIGQESKUME-UWVGGRQHSA-N 1 2 240.347 0.868 20 0 BCADLO C(C1CC1)[C@H]1COCC[N@@H+]1CC1OCCO1 ZINC000933210267 640678408 /nfs/dbraw/zinc/67/84/08/640678408.db2.gz WKVKWOWMJRIMTC-NSHDSACASA-N 1 2 227.304 0.860 20 0 BCADLO C(C1CC1)[C@H]1COCC[N@H+]1CC1OCCO1 ZINC000933210267 640678414 /nfs/dbraw/zinc/67/84/14/640678414.db2.gz WKVKWOWMJRIMTC-NSHDSACASA-N 1 2 227.304 0.860 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030205808 640680598 /nfs/dbraw/zinc/68/05/98/640680598.db2.gz LWRWYLWFZCIDFS-YVNMAJEFSA-N 1 2 240.347 0.868 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)nc1 ZINC000933217157 640682149 /nfs/dbraw/zinc/68/21/49/640682149.db2.gz UNEKFGBEZDYNCX-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)nc1 ZINC000933217157 640682154 /nfs/dbraw/zinc/68/21/54/640682154.db2.gz UNEKFGBEZDYNCX-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1cnc(C(=O)NC2C[NH+](CCCF)C2)c1 ZINC001030219300 640690591 /nfs/dbraw/zinc/69/05/91/640690591.db2.gz WEIYQUHJZINHFM-UHFFFAOYSA-N 1 2 240.282 0.194 20 0 BCADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC000933286860 640697598 /nfs/dbraw/zinc/69/75/98/640697598.db2.gz QXRNIPFXAZWDBZ-VIFPVBQESA-N 1 2 237.307 0.199 20 0 BCADLO CC[C@@](C)(O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933299752 640702171 /nfs/dbraw/zinc/70/21/71/640702171.db2.gz WJIDLCZGMBJEFE-CMPLNLGQSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322100 640703702 /nfs/dbraw/zinc/70/37/02/640703702.db2.gz FVWGCPSDNQJOEG-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322100 640703709 /nfs/dbraw/zinc/70/37/09/640703709.db2.gz FVWGCPSDNQJOEG-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO COC[C@H]1COCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000933328782 640704379 /nfs/dbraw/zinc/70/43/79/640704379.db2.gz CHSAAOVIXQALCF-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@H]1COCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000933328782 640704381 /nfs/dbraw/zinc/70/43/81/640704381.db2.gz CHSAAOVIXQALCF-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO C[C@@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933322102 640704763 /nfs/dbraw/zinc/70/47/63/640704763.db2.gz FVWGCPSDNQJOEG-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933322102 640704768 /nfs/dbraw/zinc/70/47/68/640704768.db2.gz FVWGCPSDNQJOEG-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCC(=O)C(C)C ZINC000933331719 640704797 /nfs/dbraw/zinc/70/47/97/640704797.db2.gz NYWVECIISOYLCG-LLVKDONJSA-N 1 2 229.320 0.949 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCC(=O)C(C)C ZINC000933331719 640704800 /nfs/dbraw/zinc/70/48/00/640704800.db2.gz NYWVECIISOYLCG-LLVKDONJSA-N 1 2 229.320 0.949 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCc1cnn(C)c1 ZINC000933337987 640705854 /nfs/dbraw/zinc/70/58/54/640705854.db2.gz YEZDPNWAQDKGEZ-GFCCVEGCSA-N 1 2 239.319 0.310 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCc1cnn(C)c1 ZINC000933337987 640705857 /nfs/dbraw/zinc/70/58/57/640705857.db2.gz YEZDPNWAQDKGEZ-GFCCVEGCSA-N 1 2 239.319 0.310 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCCC(=O)OC ZINC000933334822 640706071 /nfs/dbraw/zinc/70/60/71/640706071.db2.gz OGPKKTOBZIUDBN-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCCC(=O)OC ZINC000933334822 640706080 /nfs/dbraw/zinc/70/60/80/640706080.db2.gz OGPKKTOBZIUDBN-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001030253807 640710339 /nfs/dbraw/zinc/71/03/39/640710339.db2.gz VPGKHMJVXRWUKC-ONGXEEELSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001030262202 640712657 /nfs/dbraw/zinc/71/26/57/640712657.db2.gz JPDXFMIZKQIIJG-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2[nH]ccc2C)C1 ZINC001030265675 640716947 /nfs/dbraw/zinc/71/69/47/640716947.db2.gz COKHHTZDQXNJJX-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC1C[NH+](CCCO)C1 ZINC001030266792 640718121 /nfs/dbraw/zinc/71/81/21/640718121.db2.gz RUPKGLIMWTVPME-UHFFFAOYSA-N 1 2 237.303 0.120 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030286252 640728648 /nfs/dbraw/zinc/72/86/48/640728648.db2.gz MLZCTIRMNACLIL-VXNVDRBHSA-N 1 2 248.273 0.477 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030285829 640729834 /nfs/dbraw/zinc/72/98/34/640729834.db2.gz JIFBUGHKAZTYAJ-CBAPKCEASA-N 1 2 248.273 0.477 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC1(F)F ZINC001030282683 640729842 /nfs/dbraw/zinc/72/98/42/640729842.db2.gz CJANTDBSLWFTES-QMMMGPOBSA-N 1 2 236.237 0.802 20 0 BCADLO Cc1cnccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030284089 640730837 /nfs/dbraw/zinc/73/08/37/640730837.db2.gz HSCVKXFFQBRXKA-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO CC(C(=O)NC1C[NH+](CCO)C1)=C1CCC1 ZINC001030289701 640732540 /nfs/dbraw/zinc/73/25/40/640732540.db2.gz ZEWDTOPFHOJPIY-UHFFFAOYSA-N 1 2 224.304 0.280 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933669257 640740570 /nfs/dbraw/zinc/74/05/70/640740570.db2.gz DDRYNOQNOKVUIW-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933669257 640740573 /nfs/dbraw/zinc/74/05/73/640740573.db2.gz DDRYNOQNOKVUIW-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933669264 640741994 /nfs/dbraw/zinc/74/19/94/640741994.db2.gz DDRYNOQNOKVUIW-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933669264 640741996 /nfs/dbraw/zinc/74/19/96/640741996.db2.gz DDRYNOQNOKVUIW-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CC[NH+]1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001030308313 640745271 /nfs/dbraw/zinc/74/52/71/640745271.db2.gz XWZKRBAUHCVRMM-UHFFFAOYSA-N 1 2 245.326 0.934 20 0 BCADLO O=C(NCC[NH+]1CCSCC1)C(F)F ZINC000226403853 640759924 /nfs/dbraw/zinc/75/99/24/640759924.db2.gz OECNQVBYOFOFAN-UHFFFAOYSA-N 1 2 224.276 0.417 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030354906 640783197 /nfs/dbraw/zinc/78/31/97/640783197.db2.gz NOGVXJCVPPMQDH-UHFFFAOYSA-N 1 2 223.276 0.075 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@@H]2COCC[C@@H]21 ZINC000933971843 640798683 /nfs/dbraw/zinc/79/86/83/640798683.db2.gz WNGBJKACTAGLAP-NWDGAFQWSA-N 1 2 237.303 0.410 20 0 BCADLO CCC[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000933990210 640799945 /nfs/dbraw/zinc/79/99/45/640799945.db2.gz DCXPIHSZSSMZIE-VIFPVBQESA-N 1 2 211.265 0.495 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cn2nccn2)C1 ZINC001030373772 640801434 /nfs/dbraw/zinc/80/14/34/640801434.db2.gz DJOAQBOOXXGDDK-UHFFFAOYSA-N 1 2 249.318 0.045 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)nnc2C)C1 ZINC001030373020 640802781 /nfs/dbraw/zinc/80/27/81/640802781.db2.gz DCBDMQDLMLTTNJ-UHFFFAOYSA-N 1 2 234.303 0.527 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NCc1cccs1 ZINC000934024685 640809411 /nfs/dbraw/zinc/80/94/11/640809411.db2.gz AJGMHEGJSSRMBW-SECBINFHSA-N 1 2 240.328 0.431 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NCc1cccs1 ZINC000934024685 640809415 /nfs/dbraw/zinc/80/94/15/640809415.db2.gz AJGMHEGJSSRMBW-SECBINFHSA-N 1 2 240.328 0.431 20 0 BCADLO Cc1nonc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000227016629 640810129 /nfs/dbraw/zinc/81/01/29/640810129.db2.gz MZWKDYRGYMXHDM-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1C=CC=CC=C1 ZINC001030382924 640811458 /nfs/dbraw/zinc/81/14/58/640811458.db2.gz JCKKIJOSUMIHEF-UHFFFAOYSA-N 1 2 234.299 0.078 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC(F)(F)C1 ZINC001030412210 640837585 /nfs/dbraw/zinc/83/75/85/640837585.db2.gz VWGUSZYOXPPTPW-QMMMGPOBSA-N 1 2 248.273 0.215 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(C3CC3)CC2)C1 ZINC001030489325 640878161 /nfs/dbraw/zinc/87/81/61/640878161.db2.gz HVZNVRMLSGTELX-VIFPVBQESA-N 1 2 238.331 0.358 20 0 BCADLO OCC(F)(F)C[NH2+]CC1(O)CCCCC1 ZINC000228737611 640893013 /nfs/dbraw/zinc/89/30/13/640893013.db2.gz ZUIYDJXQFCGYAJ-UHFFFAOYSA-N 1 2 223.263 0.899 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCCC12CC2 ZINC001030518499 640893983 /nfs/dbraw/zinc/89/39/83/640893983.db2.gz CBRSNQIHQRVLLV-NSHDSACASA-N 1 2 238.331 0.359 20 0 BCADLO CCN(CC)C(=O)CNc1cc(NC)[nH+]cn1 ZINC000228874946 640901542 /nfs/dbraw/zinc/90/15/42/640901542.db2.gz CXIJAEWMFVPHOY-UHFFFAOYSA-N 1 2 237.307 0.799 20 0 BCADLO CCN(CC)C(=O)CNc1cc(NC)nc[nH+]1 ZINC000228874946 640901546 /nfs/dbraw/zinc/90/15/46/640901546.db2.gz CXIJAEWMFVPHOY-UHFFFAOYSA-N 1 2 237.307 0.799 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001030560776 640911477 /nfs/dbraw/zinc/91/14/77/640911477.db2.gz OBEAIXGQLMPLTO-BDAKNGLRSA-N 1 2 212.293 0.232 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001030560405 640911616 /nfs/dbraw/zinc/91/16/16/640911616.db2.gz KAEWZBOZCNSFEN-WDEREUQCSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001030584189 640928959 /nfs/dbraw/zinc/92/89/59/640928959.db2.gz MVIKFLHDOVZMCM-UHFFFAOYSA-N 1 2 240.282 0.287 20 0 BCADLO CC[C@@H](O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000229580448 640967812 /nfs/dbraw/zinc/96/78/12/640967812.db2.gz BGAOKSYQPJQGKI-SNVBAGLBSA-N 1 2 221.264 0.618 20 0 BCADLO CNc1cc(NC[C@H]2COCCO2)[nH+]cn1 ZINC000087820545 641055533 /nfs/dbraw/zinc/05/55/33/641055533.db2.gz REYWXCTTZJQZHB-QMMMGPOBSA-N 1 2 224.264 0.346 20 0 BCADLO CNc1cc(NC[C@@H](O)C2CC2)[nH+]cn1 ZINC000087829825 641063874 /nfs/dbraw/zinc/06/38/74/641063874.db2.gz BOQFFRDUDIFCSR-MRVPVSSYSA-N 1 2 208.265 0.701 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934108482 641070000 /nfs/dbraw/zinc/07/00/00/641070000.db2.gz QFEGKFQKSRGQMP-MNOVXSKESA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934108482 641070007 /nfs/dbraw/zinc/07/00/07/641070007.db2.gz QFEGKFQKSRGQMP-MNOVXSKESA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934108484 641071283 /nfs/dbraw/zinc/07/12/83/641071283.db2.gz QFEGKFQKSRGQMP-WDEREUQCSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934108484 641071290 /nfs/dbraw/zinc/07/12/90/641071290.db2.gz QFEGKFQKSRGQMP-WDEREUQCSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934108483 641071479 /nfs/dbraw/zinc/07/14/79/641071479.db2.gz QFEGKFQKSRGQMP-QWRGUYRKSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934108483 641071482 /nfs/dbraw/zinc/07/14/82/641071482.db2.gz QFEGKFQKSRGQMP-QWRGUYRKSA-N 1 2 224.308 0.907 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C)no1 ZINC000934113358 641077873 /nfs/dbraw/zinc/07/78/73/641077873.db2.gz NSBGLWYGRPZVQK-RKDXNWHRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000934113358 641077875 /nfs/dbraw/zinc/07/78/75/641077875.db2.gz NSBGLWYGRPZVQK-RKDXNWHRSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cn(C)nn1 ZINC000934114042 641078581 /nfs/dbraw/zinc/07/85/81/641078581.db2.gz FENFKFFHWRMXMQ-NXEZZACHSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cn(C)nn1 ZINC000934114042 641078589 /nfs/dbraw/zinc/07/85/89/641078589.db2.gz FENFKFFHWRMXMQ-NXEZZACHSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CCS(C)(=O)=O ZINC000172594136 641081001 /nfs/dbraw/zinc/08/10/01/641081001.db2.gz AJUSKEDMSBXZJU-MRVPVSSYSA-N 1 2 223.363 0.468 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CCS(C)(=O)=O ZINC000172594136 641081003 /nfs/dbraw/zinc/08/10/03/641081003.db2.gz AJUSKEDMSBXZJU-MRVPVSSYSA-N 1 2 223.363 0.468 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cn(C)nn1 ZINC000934114045 641081574 /nfs/dbraw/zinc/08/15/74/641081574.db2.gz FENFKFFHWRMXMQ-ZJUUUORDSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cn(C)nn1 ZINC000934114045 641081575 /nfs/dbraw/zinc/08/15/75/641081575.db2.gz FENFKFFHWRMXMQ-ZJUUUORDSA-N 1 2 210.281 0.424 20 0 BCADLO O=C1CC[N@H+](Cc2cnn[nH]2)CCCCCN1 ZINC000934154641 641093702 /nfs/dbraw/zinc/09/37/02/641093702.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO O=C1CC[N@@H+](Cc2cnn[nH]2)CCCCCN1 ZINC000934154641 641093705 /nfs/dbraw/zinc/09/37/05/641093705.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO O=C1CC[N@H+](Cc2c[nH]nn2)CCCCCN1 ZINC000934154641 641093710 /nfs/dbraw/zinc/09/37/10/641093710.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO O=C1CC[N@@H+](Cc2c[nH]nn2)CCCCCN1 ZINC000934154641 641093713 /nfs/dbraw/zinc/09/37/13/641093713.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO O=C1CC[N@H+](Cc2cn[nH]n2)CCCCCN1 ZINC000934154641 641093717 /nfs/dbraw/zinc/09/37/17/641093717.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO O=C1CC[N@@H+](Cc2cn[nH]n2)CCCCCN1 ZINC000934154641 641093720 /nfs/dbraw/zinc/09/37/20/641093720.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO CCn1cnnc1CNc1cc(NC)[nH+]cn1 ZINC000230761874 641096775 /nfs/dbraw/zinc/09/67/75/641096775.db2.gz SKDWPTWHXFUNNS-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO CCn1cnnc1CNc1cc(NC)nc[nH+]1 ZINC000230761874 641096782 /nfs/dbraw/zinc/09/67/82/641096782.db2.gz SKDWPTWHXFUNNS-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO CNC(=O)[C@@]1(C)CCN(c2cc(NC)[nH+]cn2)C1 ZINC000230921928 641113391 /nfs/dbraw/zinc/11/33/91/641113391.db2.gz POLKBHLUBIAMPY-LBPRGKRZSA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)[C@@]1(C)CCN(c2cc(NC)nc[nH+]2)C1 ZINC000230921928 641113396 /nfs/dbraw/zinc/11/33/96/641113396.db2.gz POLKBHLUBIAMPY-LBPRGKRZSA-N 1 2 249.318 0.481 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]1CO ZINC000230912743 641117071 /nfs/dbraw/zinc/11/70/71/641117071.db2.gz RFPMIMLVIANLQE-PSASIEDQSA-N 1 2 247.302 0.936 20 0 BCADLO COc1ccc([C@H]2CCC[N@@H+]2CC(N)=O)nc1 ZINC000934345530 641131619 /nfs/dbraw/zinc/13/16/19/641131619.db2.gz DVMUOJZRLJFWFE-LLVKDONJSA-N 1 2 235.287 0.712 20 0 BCADLO COc1ccc([C@H]2CCC[N@H+]2CC(N)=O)nc1 ZINC000934345530 641131623 /nfs/dbraw/zinc/13/16/23/641131623.db2.gz DVMUOJZRLJFWFE-LLVKDONJSA-N 1 2 235.287 0.712 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCOC23CCCC3)n1 ZINC000934391619 641139211 /nfs/dbraw/zinc/13/92/11/641139211.db2.gz PVOVCPKKTHRNTG-SECBINFHSA-N 1 2 237.307 0.401 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(N)cn1 ZINC000231297394 641157797 /nfs/dbraw/zinc/15/77/97/641157797.db2.gz BDNYHBHSZPTNQP-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(N)cn1 ZINC000231297394 641157802 /nfs/dbraw/zinc/15/78/02/641157802.db2.gz BDNYHBHSZPTNQP-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000932972101 641168378 /nfs/dbraw/zinc/16/83/78/641168378.db2.gz CPGBCLUCBPIINX-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000932972101 641168383 /nfs/dbraw/zinc/16/83/83/641168383.db2.gz CPGBCLUCBPIINX-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC(F)F)C[C@@H]1F ZINC000934561721 641194277 /nfs/dbraw/zinc/19/42/77/641194277.db2.gz TUPXFDZSVBSUFN-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC(F)F)C[C@@H]1F ZINC000934561721 641194282 /nfs/dbraw/zinc/19/42/82/641194282.db2.gz TUPXFDZSVBSUFN-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO O[C@H]1CC[N@H+](CCc2cnccn2)C[C@@H]1F ZINC000934568480 641199144 /nfs/dbraw/zinc/19/91/44/641199144.db2.gz UZSIPHFXOFBAEF-QWRGUYRKSA-N 1 2 225.267 0.424 20 0 BCADLO O[C@H]1CC[N@@H+](CCc2cnccn2)C[C@@H]1F ZINC000934568480 641199149 /nfs/dbraw/zinc/19/91/49/641199149.db2.gz UZSIPHFXOFBAEF-QWRGUYRKSA-N 1 2 225.267 0.424 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449638 641273300 /nfs/dbraw/zinc/27/33/00/641273300.db2.gz UWAYIKHKPMBJCO-UHFFFAOYSA-N 1 2 226.251 0.709 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449638 641273308 /nfs/dbraw/zinc/27/33/08/641273308.db2.gz UWAYIKHKPMBJCO-UHFFFAOYSA-N 1 2 226.251 0.709 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001030701544 641288416 /nfs/dbraw/zinc/28/84/16/641288416.db2.gz VASWUXYROKLAEE-WPRPVWTQSA-N 1 2 212.293 0.232 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001030720193 641320651 /nfs/dbraw/zinc/32/06/51/641320651.db2.gz OFKKBNKYBUYXLI-GHMZBOCLSA-N 1 2 248.330 0.344 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030789108 641351011 /nfs/dbraw/zinc/35/10/11/641351011.db2.gz SBYBLFTXAPAHRL-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2cnoc2)C1 ZINC001030828059 641372639 /nfs/dbraw/zinc/37/26/39/641372639.db2.gz UAFFWKGBNALVKE-UHFFFAOYSA-N 1 2 249.314 0.984 20 0 BCADLO CC[NH+]1CC(NC(=O)c2csc(C)n2)C1 ZINC001030835465 641375063 /nfs/dbraw/zinc/37/50/63/641375063.db2.gz KTLKNDPVIBXNGD-UHFFFAOYSA-N 1 2 225.317 0.885 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001030851935 641382962 /nfs/dbraw/zinc/38/29/62/641382962.db2.gz ADASGOQUEZFGKF-BDAKNGLRSA-N 1 2 214.284 0.945 20 0 BCADLO CCC[C@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000935328619 641387938 /nfs/dbraw/zinc/38/79/38/641387938.db2.gz AIYQMRSAUSKIJG-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C(/C)COC ZINC000929683248 641395531 /nfs/dbraw/zinc/39/55/31/641395531.db2.gz NXGMOVJBLIOQOR-GULOHRGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(/C)COC ZINC000929683248 641395535 /nfs/dbraw/zinc/39/55/35/641395535.db2.gz NXGMOVJBLIOQOR-GULOHRGCSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@H+](CCO[C@H]1CCOC1)Cc1ccon1 ZINC000929697779 641405068 /nfs/dbraw/zinc/40/50/68/641405068.db2.gz VARGSCCEFGCKQV-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1ccon1 ZINC000929697779 641405072 /nfs/dbraw/zinc/40/50/72/641405072.db2.gz VARGSCCEFGCKQV-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001030922867 641424218 /nfs/dbraw/zinc/42/42/18/641424218.db2.gz PHXYSYNYHUDFCT-GXSJLCMTSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+](CC(=O)Nc1c[nH]nn1)[C@H]1CCSC1 ZINC000935596744 641440405 /nfs/dbraw/zinc/44/04/05/641440405.db2.gz RTKHUAPOPJXGGO-ZETCQYMHSA-N 1 2 241.320 0.181 20 0 BCADLO C[N@@H+](CC(=O)Nc1c[nH]nn1)[C@H]1CCSC1 ZINC000935596744 641440407 /nfs/dbraw/zinc/44/04/07/641440407.db2.gz RTKHUAPOPJXGGO-ZETCQYMHSA-N 1 2 241.320 0.181 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)c1nccn1C ZINC000935665172 641456195 /nfs/dbraw/zinc/45/61/95/641456195.db2.gz PMIJRZGBSRAONA-UHFFFAOYSA-N 1 2 245.286 0.890 20 0 BCADLO CC1(C)C[C@@H](O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913762553 641468996 /nfs/dbraw/zinc/46/89/96/641468996.db2.gz YADQPGPLPVGJEV-SNVBAGLBSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913784592 641474777 /nfs/dbraw/zinc/47/47/77/641474777.db2.gz IIPATWONIMVUQQ-RKDXNWHRSA-N 1 2 225.292 0.618 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)O[C@H]1CCOC1 ZINC000913825320 641488409 /nfs/dbraw/zinc/48/84/09/641488409.db2.gz XJBHRJIXHKXSAX-JTQLQIEISA-N 1 2 239.275 0.788 20 0 BCADLO CCC1(CC(=O)NCc2c[nH+]cn2C)COC1 ZINC000936023901 641519651 /nfs/dbraw/zinc/51/96/51/641519651.db2.gz ASSMVZQTWUNACY-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CC(C)C1(C(=O)NCc2c[nH+]cn2C)COC1 ZINC000936024391 641519662 /nfs/dbraw/zinc/51/96/62/641519662.db2.gz JPPQHZJGVCPNGY-UHFFFAOYSA-N 1 2 237.303 0.709 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000936023952 641520090 /nfs/dbraw/zinc/52/00/90/641520090.db2.gz CJMKNLIZZWKCEX-SNVBAGLBSA-N 1 2 211.265 0.197 20 0 BCADLO COCC[N@H+](CCC(=O)OC)Cc1cc[nH]n1 ZINC000093416084 641585833 /nfs/dbraw/zinc/58/58/33/641585833.db2.gz CBCMWKMOSIBCJZ-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCC[N@@H+](CCC(=O)OC)Cc1cc[nH]n1 ZINC000093416084 641585837 /nfs/dbraw/zinc/58/58/37/641585837.db2.gz CBCMWKMOSIBCJZ-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000097094152 641604678 /nfs/dbraw/zinc/60/46/78/641604678.db2.gz VFMAOOYPOUPVGU-JTQLQIEISA-N 1 2 235.349 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000097094152 641604682 /nfs/dbraw/zinc/60/46/82/641604682.db2.gz VFMAOOYPOUPVGU-JTQLQIEISA-N 1 2 235.349 0.268 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817971 641674487 /nfs/dbraw/zinc/67/44/87/641674487.db2.gz NHXPGAHVSZSBNA-UMNHJUIQSA-N 1 2 241.287 0.395 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817971 641674489 /nfs/dbraw/zinc/67/44/89/641674489.db2.gz NHXPGAHVSZSBNA-UMNHJUIQSA-N 1 2 241.287 0.395 20 0 BCADLO c1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)[nH]n1 ZINC000914433110 641702150 /nfs/dbraw/zinc/70/21/50/641702150.db2.gz KDZIAEZNRDDMOZ-WDEREUQCSA-N 1 2 207.277 0.924 20 0 BCADLO C[C@@H](CNC(=S)NC1CC1)[NH+]1CCOCC1 ZINC000914705268 641755759 /nfs/dbraw/zinc/75/57/59/641755759.db2.gz PIPSQADKUJIEMC-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031169218 641765365 /nfs/dbraw/zinc/76/53/65/641765365.db2.gz ADXPAYKWEZZECQ-WDEREUQCSA-N 1 2 226.320 0.071 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031175651 641772974 /nfs/dbraw/zinc/77/29/74/641772974.db2.gz OLQOHRFGONBXSB-WCQYABFASA-N 1 2 240.347 0.605 20 0 BCADLO Cc1cnoc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001031192388 641794090 /nfs/dbraw/zinc/79/40/90/641794090.db2.gz WYGFGAUOYWYSOB-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO C[N@H+](CCOC(C)(C)C)CCS(C)(=O)=O ZINC000076302712 641807739 /nfs/dbraw/zinc/80/77/39/641807739.db2.gz JPQRIVJXUWZYGY-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO C[N@@H+](CCOC(C)(C)C)CCS(C)(=O)=O ZINC000076302712 641807740 /nfs/dbraw/zinc/80/77/40/641807740.db2.gz JPQRIVJXUWZYGY-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC12CCCC2 ZINC001031205767 641811431 /nfs/dbraw/zinc/81/14/31/641811431.db2.gz RNECULSAKSSZJA-LLVKDONJSA-N 1 2 238.331 0.359 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2nocc2C)C1 ZINC001031210566 641818587 /nfs/dbraw/zinc/81/85/87/641818587.db2.gz SZPMDWQPKQSXLA-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001031220386 641827346 /nfs/dbraw/zinc/82/73/46/641827346.db2.gz VJUNQKSXEZRMJN-ZYHUDNBSSA-N 1 2 224.304 0.233 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001031230904 641832733 /nfs/dbraw/zinc/83/27/33/641832733.db2.gz MKOYDYNONBDJNN-UHFFFAOYSA-N 1 2 249.318 0.114 20 0 BCADLO CC[C@]1(C)C[N@H+](Cn2cnnc2)CCO1 ZINC000190353905 641861562 /nfs/dbraw/zinc/86/15/62/641861562.db2.gz GPVCCLMVRUBCPJ-SNVBAGLBSA-N 1 2 210.281 0.737 20 0 BCADLO CC[C@]1(C)C[N@@H+](Cn2cnnc2)CCO1 ZINC000190353905 641861565 /nfs/dbraw/zinc/86/15/65/641861565.db2.gz GPVCCLMVRUBCPJ-SNVBAGLBSA-N 1 2 210.281 0.737 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)NCC2CC2)CCO1 ZINC000916233578 641916916 /nfs/dbraw/zinc/91/69/16/641916916.db2.gz BTGVGICROXTXQW-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)NCC2CC2)CCO1 ZINC000916233578 641916924 /nfs/dbraw/zinc/91/69/24/641916924.db2.gz BTGVGICROXTXQW-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000089676578 641948011 /nfs/dbraw/zinc/94/80/11/641948011.db2.gz MKQBTKNAWNBVFS-LLVKDONJSA-N 1 2 242.363 0.946 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCC1=O ZINC000925430181 641965586 /nfs/dbraw/zinc/96/55/86/641965586.db2.gz OQFBOCUBCLKPDM-ZJUUUORDSA-N 1 2 239.319 0.311 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCC1=O ZINC000925430181 641965594 /nfs/dbraw/zinc/96/55/94/641965594.db2.gz OQFBOCUBCLKPDM-ZJUUUORDSA-N 1 2 239.319 0.311 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)nn(C)c2F)C1 ZINC001031325766 641965859 /nfs/dbraw/zinc/96/58/59/641965859.db2.gz QAFNZILSNPCCQH-UHFFFAOYSA-N 1 2 240.282 0.302 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCO)C2)c(C)c1 ZINC001031339688 641977125 /nfs/dbraw/zinc/97/71/25/641977125.db2.gz FGUZSQLWPJJDED-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925437375 642042498 /nfs/dbraw/zinc/04/24/98/642042498.db2.gz CBLVSPSIFJIOFF-UWVGGRQHSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925437375 642042503 /nfs/dbraw/zinc/04/25/03/642042503.db2.gz CBLVSPSIFJIOFF-UWVGGRQHSA-N 1 2 239.319 0.454 20 0 BCADLO CNC(=O)CO[NH+]=C(N)c1ccccc1C ZINC000917392636 642055921 /nfs/dbraw/zinc/05/59/21/642055921.db2.gz GRQXGTNGCBHECC-UHFFFAOYSA-N 1 2 221.260 0.588 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001031417528 642113481 /nfs/dbraw/zinc/11/34/81/642113481.db2.gz KMOLURZLUAGQPA-SECBINFHSA-N 1 2 248.330 0.335 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CO)C1 ZINC000444657721 642142618 /nfs/dbraw/zinc/14/26/18/642142618.db2.gz LVZRBCSRLKBPPY-SECBINFHSA-N 1 2 223.276 0.118 20 0 BCADLO COc1ccnc(C[NH+]2CC(CNC(C)=O)C2)c1 ZINC001031502588 642236111 /nfs/dbraw/zinc/23/61/11/642236111.db2.gz BYJLHXQTFZPBLD-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031504467 642237065 /nfs/dbraw/zinc/23/70/65/642237065.db2.gz BNCGHNMWYLVFTJ-UHFFFAOYSA-N 1 2 225.317 0.711 20 0 BCADLO CC(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001031505256 642238676 /nfs/dbraw/zinc/23/86/76/642238676.db2.gz IZVYSWQWKMCZLD-JTQLQIEISA-N 1 2 248.330 0.914 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1CC1 ZINC001031508241 642242495 /nfs/dbraw/zinc/24/24/95/642242495.db2.gz SIGNTACAHLDQAH-UHFFFAOYSA-N 1 2 200.257 0.414 20 0 BCADLO Nc1cc(Cn2nnc(C(F)(F)F)n2)cc[nH+]1 ZINC000919071747 642297627 /nfs/dbraw/zinc/29/76/27/642297627.db2.gz MBIIDUJBCGXWKU-UHFFFAOYSA-N 1 2 244.180 0.717 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccno1 ZINC000933216340 642395085 /nfs/dbraw/zinc/39/50/85/642395085.db2.gz GFKMMWLYAIHNCI-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccno1 ZINC000933216340 642395088 /nfs/dbraw/zinc/39/50/88/642395088.db2.gz GFKMMWLYAIHNCI-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1=CCOCC1 ZINC001031629047 642410244 /nfs/dbraw/zinc/41/02/44/642410244.db2.gz DJPFHLBYKCDWNX-UHFFFAOYSA-N 1 2 242.294 0.351 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@H](O)[C@@H](C)O)C2 ZINC000933255627 642424044 /nfs/dbraw/zinc/42/40/44/642424044.db2.gz NJIOYMAKRYLOQP-SKDRFNHKSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@H](O)[C@@H](C)O)C2 ZINC000933255627 642424048 /nfs/dbraw/zinc/42/40/48/642424048.db2.gz NJIOYMAKRYLOQP-SKDRFNHKSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1c[nH+]c2c1CCN(Cc1cn(C)nn1)C2 ZINC000933256422 642425521 /nfs/dbraw/zinc/42/55/21/642425521.db2.gz CXQHIFRWQDDAPJ-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@@H](C)O)C2 ZINC000933256243 642426716 /nfs/dbraw/zinc/42/67/16/642426716.db2.gz YAYSCBDSIQMHHZ-SECBINFHSA-N 1 2 209.293 0.642 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@@H](C)O)C2 ZINC000933256243 642426720 /nfs/dbraw/zinc/42/67/20/642426720.db2.gz YAYSCBDSIQMHHZ-SECBINFHSA-N 1 2 209.293 0.642 20 0 BCADLO COC(=O)c1ncn(C[NH+]2C3CCC2CC3)n1 ZINC000921185842 642583436 /nfs/dbraw/zinc/58/34/36/642583436.db2.gz YSSXQPHNDRZZFH-UHFFFAOYSA-N 1 2 236.275 0.649 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cscn1 ZINC000921411896 642612307 /nfs/dbraw/zinc/61/23/07/642612307.db2.gz BAYLXCFECSHBEB-ZETCQYMHSA-N 1 2 247.345 0.126 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cscn1 ZINC000921411896 642612310 /nfs/dbraw/zinc/61/23/10/642612310.db2.gz BAYLXCFECSHBEB-ZETCQYMHSA-N 1 2 247.345 0.126 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccco1 ZINC000921413147 642612831 /nfs/dbraw/zinc/61/28/31/642612831.db2.gz FIQHTHALVFTFSD-QMMMGPOBSA-N 1 2 230.289 0.262 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccco1 ZINC000921413147 642612836 /nfs/dbraw/zinc/61/28/36/642612836.db2.gz FIQHTHALVFTFSD-QMMMGPOBSA-N 1 2 230.289 0.262 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)C1(C)CC1 ZINC000921412956 642614303 /nfs/dbraw/zinc/61/43/03/642614303.db2.gz ZMGHNUQKQBCEGM-QMMMGPOBSA-N 1 2 218.322 0.162 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)C1(C)CC1 ZINC000921412956 642614307 /nfs/dbraw/zinc/61/43/07/642614307.db2.gz ZMGHNUQKQBCEGM-QMMMGPOBSA-N 1 2 218.322 0.162 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000175132066 642653396 /nfs/dbraw/zinc/65/33/96/642653396.db2.gz MHFIMXXYWQYIHB-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000965977003 642778080 /nfs/dbraw/zinc/77/80/80/642778080.db2.gz ZDBHEPKGSQVUQQ-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO c1n[nH]c2c1[C@@H]([NH2+]C[C@H]1COCCO1)CCC2 ZINC000353409240 642824795 /nfs/dbraw/zinc/82/47/95/642824795.db2.gz VWWKHFPURSAPPQ-ONGXEEELSA-N 1 2 237.303 0.792 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000181427589 642870461 /nfs/dbraw/zinc/87/04/61/642870461.db2.gz FLONPPMKDDTNGB-LLVKDONJSA-N 1 2 229.320 0.890 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000181427589 642870464 /nfs/dbraw/zinc/87/04/64/642870464.db2.gz FLONPPMKDDTNGB-LLVKDONJSA-N 1 2 229.320 0.890 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)co1 ZINC001010737599 642873500 /nfs/dbraw/zinc/87/35/00/642873500.db2.gz DKINNAYEKNNJAR-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)co1 ZINC001010737599 642873503 /nfs/dbraw/zinc/87/35/03/642873503.db2.gz DKINNAYEKNNJAR-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001014366303 642888713 /nfs/dbraw/zinc/88/87/13/642888713.db2.gz BEGLTVLPQBIRFR-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001014366303 642888717 /nfs/dbraw/zinc/88/87/17/642888717.db2.gz BEGLTVLPQBIRFR-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1nonc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069795280 642907599 /nfs/dbraw/zinc/90/75/99/642907599.db2.gz XTDKFKZNWQTLDN-MRVPVSSYSA-N 1 2 245.304 0.045 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)n1 ZINC001016247675 642951515 /nfs/dbraw/zinc/95/15/15/642951515.db2.gz XITVWOIUJIYSBM-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC001016247675 642951522 /nfs/dbraw/zinc/95/15/22/642951522.db2.gz XITVWOIUJIYSBM-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NO[C@H]1CCCCO1 ZINC000276511250 643019989 /nfs/dbraw/zinc/01/99/89/643019989.db2.gz YCUHIDCWNXLJGJ-NSHDSACASA-N 1 2 239.275 0.917 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NO[C@H]1CCCCO1 ZINC000276511250 643019997 /nfs/dbraw/zinc/01/99/97/643019997.db2.gz YCUHIDCWNXLJGJ-NSHDSACASA-N 1 2 239.275 0.917 20 0 BCADLO CC(=O)N[C@H](C)C1C[NH+](Cc2cnc(C)cn2)C1 ZINC000969179461 643099432 /nfs/dbraw/zinc/09/94/32/643099432.db2.gz AUDNVLRGOZXEDH-SNVBAGLBSA-N 1 2 248.330 0.741 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000286214995 643115161 /nfs/dbraw/zinc/11/51/61/643115161.db2.gz SEAOZOFFCXMIOI-PHDIDXHHSA-N 1 2 223.198 0.984 20 0 BCADLO C[C@@H](NC(=O)c1cn[nH]c1)C1C[NH+](CCF)C1 ZINC000969339419 643148881 /nfs/dbraw/zinc/14/88/81/643148881.db2.gz VCDACSSFPJUHQX-MRVPVSSYSA-N 1 2 240.282 0.429 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccnnc1 ZINC001032004935 643178292 /nfs/dbraw/zinc/17/82/92/643178292.db2.gz YOVXUPZCMZKTQK-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC12CC2 ZINC001032006656 643180804 /nfs/dbraw/zinc/18/08/04/643180804.db2.gz JGMXVSQOUSHEOL-SNVBAGLBSA-N 1 2 226.295 0.804 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ncccn1 ZINC001032064914 643225635 /nfs/dbraw/zinc/22/56/35/643225635.db2.gz LGEMSMBYAGMEKC-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032073314 643232594 /nfs/dbraw/zinc/23/25/94/643232594.db2.gz AUPDSYYFYGWHQT-MWLCHTKSSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@H](O)C1CC1 ZINC000890719865 643278778 /nfs/dbraw/zinc/27/87/78/643278778.db2.gz KJHLPXOSCWCFJP-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@H](O)C1CC1 ZINC000890719865 643278786 /nfs/dbraw/zinc/27/87/86/643278786.db2.gz KJHLPXOSCWCFJP-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO C#CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000082266414 643288078 /nfs/dbraw/zinc/28/80/78/643288078.db2.gz VHTJXEPNPDKXTE-UHFFFAOYSA-N 1 2 221.285 0.703 20 0 BCADLO C#CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000082266414 643288084 /nfs/dbraw/zinc/28/80/84/643288084.db2.gz VHTJXEPNPDKXTE-UHFFFAOYSA-N 1 2 221.285 0.703 20 0 BCADLO CC[C@H]([NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC000806168626 643308157 /nfs/dbraw/zinc/30/81/57/643308157.db2.gz VCRBQMAWHMUODU-NSHDSACASA-N 1 2 234.307 0.790 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C)on2)C1 ZINC000072826654 643311211 /nfs/dbraw/zinc/31/12/11/643311211.db2.gz WTNRFBWVPOSAMP-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C)on2)C1 ZINC000072826654 643311217 /nfs/dbraw/zinc/31/12/17/643311217.db2.gz WTNRFBWVPOSAMP-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO CCOC(C[N@H+](C)CC(=O)N(C)C)OCC ZINC000082486221 643321882 /nfs/dbraw/zinc/32/18/82/643321882.db2.gz DHNKJUNMLCOFMK-UHFFFAOYSA-N 1 2 232.324 0.406 20 0 BCADLO CCOC(C[N@@H+](C)CC(=O)N(C)C)OCC ZINC000082486221 643321886 /nfs/dbraw/zinc/32/18/86/643321886.db2.gz DHNKJUNMLCOFMK-UHFFFAOYSA-N 1 2 232.324 0.406 20 0 BCADLO CO[C@H](C)c1noc(C[NH2+][C@H]2COC[C@@H]2C)n1 ZINC000932497213 643323003 /nfs/dbraw/zinc/32/30/03/643323003.db2.gz PODDJRGFXARWPO-YIZRAAEISA-N 1 2 241.291 0.902 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnn1C ZINC001032235048 643381222 /nfs/dbraw/zinc/38/12/22/643381222.db2.gz ABAVNHDDXPWSTQ-RYUDHWBXSA-N 1 2 234.303 0.225 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnn1C ZINC001032235048 643381229 /nfs/dbraw/zinc/38/12/29/643381229.db2.gz ABAVNHDDXPWSTQ-RYUDHWBXSA-N 1 2 234.303 0.225 20 0 BCADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032237486 643384561 /nfs/dbraw/zinc/38/45/61/643384561.db2.gz IYKJZJZQUJUANC-RYUDHWBXSA-N 1 2 248.330 0.615 20 0 BCADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032237486 643384568 /nfs/dbraw/zinc/38/45/68/643384568.db2.gz IYKJZJZQUJUANC-RYUDHWBXSA-N 1 2 248.330 0.615 20 0 BCADLO Nc1ccc(CN2C(=O)[C@@H]3C[C@@H]3C2=O)c[nH+]1 ZINC000082924152 643389589 /nfs/dbraw/zinc/38/95/89/643389589.db2.gz UPCOSJHJPKZLCV-OCAPTIKFSA-N 1 2 217.228 0.169 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1nccnc1C ZINC001032240441 643390439 /nfs/dbraw/zinc/39/04/39/643390439.db2.gz RVMXYXZWUNMUCJ-RYUDHWBXSA-N 1 2 246.314 0.590 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1nccnc1C ZINC001032240441 643390442 /nfs/dbraw/zinc/39/04/42/643390442.db2.gz RVMXYXZWUNMUCJ-RYUDHWBXSA-N 1 2 246.314 0.590 20 0 BCADLO CCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000049772834 643391720 /nfs/dbraw/zinc/39/17/20/643391720.db2.gz TWHVSKNGRJWCOH-UHFFFAOYSA-N 1 2 242.319 0.527 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(=O)n1C ZINC000844699692 643472979 /nfs/dbraw/zinc/47/29/79/643472979.db2.gz VLYYQBADBIKZLZ-VHSXEESVSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(=O)n1C ZINC000844699692 643472985 /nfs/dbraw/zinc/47/29/85/643472985.db2.gz VLYYQBADBIKZLZ-VHSXEESVSA-N 1 2 238.335 0.826 20 0 BCADLO C[C@@H]1C(=O)CCC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC000932848809 643535398 /nfs/dbraw/zinc/53/53/98/643535398.db2.gz KUNNYJCRVNFAOQ-MNOVXSKESA-N 1 2 238.331 0.956 20 0 BCADLO C[C@@H]1C(=O)CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC000932848809 643535405 /nfs/dbraw/zinc/53/54/05/643535405.db2.gz KUNNYJCRVNFAOQ-MNOVXSKESA-N 1 2 238.331 0.956 20 0 BCADLO Cc1noc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC000045750045 643559559 /nfs/dbraw/zinc/55/95/59/643559559.db2.gz ISFHNJPNGUIZEP-UHFFFAOYSA-N 1 2 239.275 0.717 20 0 BCADLO CCONC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000083643669 643603100 /nfs/dbraw/zinc/60/31/00/643603100.db2.gz NDMGERNCPFBCOD-NSHDSACASA-N 1 2 220.272 0.941 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc(N)s1 ZINC000086765914 643637872 /nfs/dbraw/zinc/63/78/72/643637872.db2.gz KBBHTOFQTRIQQR-UHFFFAOYSA-N 1 2 228.321 0.293 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc(N)s1 ZINC000086765914 643637877 /nfs/dbraw/zinc/63/78/77/643637877.db2.gz KBBHTOFQTRIQQR-UHFFFAOYSA-N 1 2 228.321 0.293 20 0 BCADLO Cc1nn(C)c(C[NH2+]CC(=O)N(C)C)c1Cl ZINC000084270419 643656587 /nfs/dbraw/zinc/65/65/87/643656587.db2.gz ATDSNLAPCQRLDO-UHFFFAOYSA-N 1 2 244.726 0.560 20 0 BCADLO CONC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922044148 643852860 /nfs/dbraw/zinc/85/28/60/643852860.db2.gz IKTDOSRBXQCALJ-UHFFFAOYSA-N 1 2 244.320 0.565 20 0 BCADLO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ncc(C)o1 ZINC000922182499 643896078 /nfs/dbraw/zinc/89/60/78/643896078.db2.gz KDCWDXIRPLKIRJ-VHSXEESVSA-N 1 2 228.292 0.595 20 0 BCADLO O[C@@H]1C[C@H]([NH2+]Cc2c[nH]cn2)[C@H]1n1cccn1 ZINC000922228118 643910643 /nfs/dbraw/zinc/91/06/43/643910643.db2.gz KXRKHLMAMJUWRS-HBNTYKKESA-N 1 2 233.275 0.070 20 0 BCADLO Nc1ccc(COC(=O)CN2CCCC2=O)c[nH+]1 ZINC000922302116 643963071 /nfs/dbraw/zinc/96/30/71/643963071.db2.gz MUEJIFNJRJDYEO-UHFFFAOYSA-N 1 2 249.270 0.329 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@@H](C)C(OC)OC)n1 ZINC000922313225 643968438 /nfs/dbraw/zinc/96/84/38/643968438.db2.gz HYRSJABWEWSOLS-VIFPVBQESA-N 1 2 242.323 0.703 20 0 BCADLO CO[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922373688 643982423 /nfs/dbraw/zinc/98/24/23/643982423.db2.gz KREZPRQBGKDYPO-SSDOTTSWSA-N 1 2 210.233 0.742 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCC(=O)O2)c[nH+]1 ZINC000922541993 644018621 /nfs/dbraw/zinc/01/86/21/644018621.db2.gz NRLSRUPGDURHRG-QMMMGPOBSA-N 1 2 236.227 0.413 20 0 BCADLO Nc1ccc(COC(=O)C2COC2)c[nH+]1 ZINC000922634067 644048105 /nfs/dbraw/zinc/04/81/05/644048105.db2.gz CGKUAGPBNFLOGW-UHFFFAOYSA-N 1 2 208.217 0.353 20 0 BCADLO CC[S@@](=O)CC(=O)OCc1ccc[nH+]c1N ZINC000922652300 644059691 /nfs/dbraw/zinc/05/96/91/644059691.db2.gz MLGSVYMPWRWYAT-MRXNPFEDSA-N 1 2 242.300 0.476 20 0 BCADLO CON(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000192378069 644149158 /nfs/dbraw/zinc/14/91/58/644149158.db2.gz IKJRKQUWTBGXQN-ZJUUUORDSA-N 1 2 245.323 0.298 20 0 BCADLO CCONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000192544941 644162923 /nfs/dbraw/zinc/16/29/23/644162923.db2.gz KEGYUFALPVPLFX-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO C[N@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000192564332 644165970 /nfs/dbraw/zinc/16/59/70/644165970.db2.gz YOMWRBXMVWMTSQ-LBPRGKRZSA-N 1 2 237.303 0.759 20 0 BCADLO C[N@@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000192564332 644165973 /nfs/dbraw/zinc/16/59/73/644165973.db2.gz YOMWRBXMVWMTSQ-LBPRGKRZSA-N 1 2 237.303 0.759 20 0 BCADLO COc1nccc(C[NH2+]Cc2cncc(O)c2)n1 ZINC000922975723 644206032 /nfs/dbraw/zinc/20/60/32/644206032.db2.gz JQXDHTXGQYFXKR-UHFFFAOYSA-N 1 2 246.270 0.876 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1CCC=CO1 ZINC000193707854 644274595 /nfs/dbraw/zinc/27/45/95/644274595.db2.gz PJVNYVHRINERBR-SNVBAGLBSA-N 1 2 233.333 0.656 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC=CO1 ZINC000193707854 644274599 /nfs/dbraw/zinc/27/45/99/644274599.db2.gz PJVNYVHRINERBR-SNVBAGLBSA-N 1 2 233.333 0.656 20 0 BCADLO COc1cccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000082304180 644366127 /nfs/dbraw/zinc/36/61/27/644366127.db2.gz RMSOYDCSFJEMPJ-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO CC(C)=CC[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000952314081 644372006 /nfs/dbraw/zinc/37/20/06/644372006.db2.gz UESYAELCWUKFMM-UHFFFAOYSA-N 1 2 249.318 0.529 20 0 BCADLO CCN(C(=O)[C@H]1CC12CC2)C1C[NH+](CCO)C1 ZINC000952361421 644376571 /nfs/dbraw/zinc/37/65/71/644376571.db2.gz PVSRVMFEVFZKII-LLVKDONJSA-N 1 2 238.331 0.312 20 0 BCADLO CO[C@@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000195487233 644391876 /nfs/dbraw/zinc/39/18/76/644391876.db2.gz JQARFILPXGGYAC-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000946931003 644527862 /nfs/dbraw/zinc/52/78/62/644527862.db2.gz AJCRPUPBECOZPX-JQWIXIFHSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000946931003 644527867 /nfs/dbraw/zinc/52/78/67/644527867.db2.gz AJCRPUPBECOZPX-JQWIXIFHSA-N 1 2 248.330 0.966 20 0 BCADLO Cc1cccc(NCCNC(=O)c2cn[nH]n2)[nH+]1 ZINC000743464251 644567383 /nfs/dbraw/zinc/56/73/83/644567383.db2.gz LNMDQQLYGWRZFU-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1cccc(NCCNC(=O)c2cnn[nH]2)[nH+]1 ZINC000743464251 644567389 /nfs/dbraw/zinc/56/73/89/644567389.db2.gz LNMDQQLYGWRZFU-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)CCOC1 ZINC000755705686 644619380 /nfs/dbraw/zinc/61/93/80/644619380.db2.gz VPCQYYWCJVBBQW-NSHDSACASA-N 1 2 224.260 0.890 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(C)o1 ZINC000092735493 644666899 /nfs/dbraw/zinc/66/68/99/644666899.db2.gz JGZKAVMZYVRNSN-LLVKDONJSA-N 1 2 238.287 0.583 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(C)o1 ZINC000092735493 644666906 /nfs/dbraw/zinc/66/69/06/644666906.db2.gz JGZKAVMZYVRNSN-LLVKDONJSA-N 1 2 238.287 0.583 20 0 BCADLO CCN(C(=O)c1ncccn1)C1C[NH+](CC)C1 ZINC000956990467 644675441 /nfs/dbraw/zinc/67/54/41/644675441.db2.gz PCCYYXZADDVMIE-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000249154687 644714801 /nfs/dbraw/zinc/71/48/01/644714801.db2.gz YMIYHBIRGVJUCC-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000249154687 644714811 /nfs/dbraw/zinc/71/48/11/644714811.db2.gz YMIYHBIRGVJUCC-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000783233800 644752857 /nfs/dbraw/zinc/75/28/57/644752857.db2.gz IAQMYQDOSQNCJB-JTQLQIEISA-N 1 2 224.260 0.853 20 0 BCADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)C1CC1 ZINC000958010080 644769759 /nfs/dbraw/zinc/76/97/59/644769759.db2.gz YJWOLEAXSHXBCD-GDNZZTSVSA-N 1 2 247.298 0.631 20 0 BCADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)C1CC1 ZINC000958010080 644769763 /nfs/dbraw/zinc/76/97/63/644769763.db2.gz YJWOLEAXSHXBCD-GDNZZTSVSA-N 1 2 247.298 0.631 20 0 BCADLO Cn1ncc(C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000786143854 644773630 /nfs/dbraw/zinc/77/36/30/644773630.db2.gz MJCWKNAOSZWMBX-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO Nc1cc(COC(=O)c2ccncn2)cc[nH+]1 ZINC000792156868 644792349 /nfs/dbraw/zinc/79/23/49/644792349.db2.gz GTWVGRAXGJSPMD-UHFFFAOYSA-N 1 2 230.227 0.811 20 0 BCADLO CC(=O)N[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793240023 644801528 /nfs/dbraw/zinc/80/15/28/644801528.db2.gz BMMYONITHFTROJ-MRVPVSSYSA-N 1 2 239.275 0.030 20 0 BCADLO CC(=O)CCC(=O)OCCc1c[nH+]cn1C ZINC000793241444 644801867 /nfs/dbraw/zinc/80/18/67/644801867.db2.gz LJKUVPLZZVQVLV-UHFFFAOYSA-N 1 2 224.260 0.875 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@@H](C2CC2)O1 ZINC000794651205 644804312 /nfs/dbraw/zinc/80/43/12/644804312.db2.gz GNSAYZDELAEWBO-KOLCDFICSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C2CC2)O1 ZINC000794651205 644804315 /nfs/dbraw/zinc/80/43/15/644804315.db2.gz GNSAYZDELAEWBO-KOLCDFICSA-N 1 2 222.292 0.735 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H]2CCC[C@H]2C1=O ZINC000840083832 644857831 /nfs/dbraw/zinc/85/78/31/644857831.db2.gz OXNKRESWYHCUMU-GRYCIOLGSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H]2CCC[C@H]2C1=O ZINC000840083832 644857835 /nfs/dbraw/zinc/85/78/35/644857835.db2.gz OXNKRESWYHCUMU-GRYCIOLGSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H](C)CC1=O ZINC000840083864 644858033 /nfs/dbraw/zinc/85/80/33/644858033.db2.gz PLKHXBRJNGIOQB-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H](C)CC1=O ZINC000840083864 644858041 /nfs/dbraw/zinc/85/80/41/644858041.db2.gz PLKHXBRJNGIOQB-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C[C@H](C2CC2)CC1=O ZINC000840083792 644858605 /nfs/dbraw/zinc/85/86/05/644858605.db2.gz NUPYMYOOZUEWGL-VXGBXAGGSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C[C@H](C2CC2)CC1=O ZINC000840083792 644858609 /nfs/dbraw/zinc/85/86/09/644858609.db2.gz NUPYMYOOZUEWGL-VXGBXAGGSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840083834 644858700 /nfs/dbraw/zinc/85/87/00/644858700.db2.gz OXNKRESWYHCUMU-SRVKXCTJSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840083834 644858704 /nfs/dbraw/zinc/85/87/04/644858704.db2.gz OXNKRESWYHCUMU-SRVKXCTJSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C[C@@H](C2CC2)CC1=O ZINC000840083790 644858770 /nfs/dbraw/zinc/85/87/70/644858770.db2.gz NUPYMYOOZUEWGL-NWDGAFQWSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C[C@@H](C2CC2)CC1=O ZINC000840083790 644858773 /nfs/dbraw/zinc/85/87/73/644858773.db2.gz NUPYMYOOZUEWGL-NWDGAFQWSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C[C@H](C)CC1=O ZINC000840083861 644858901 /nfs/dbraw/zinc/85/89/01/644858901.db2.gz PLKHXBRJNGIOQB-NXEZZACHSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C[C@H](C)CC1=O ZINC000840083861 644858904 /nfs/dbraw/zinc/85/89/04/644858904.db2.gz PLKHXBRJNGIOQB-NXEZZACHSA-N 1 2 212.293 0.533 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](CO)C1CC1 ZINC000807203925 644862606 /nfs/dbraw/zinc/86/26/06/644862606.db2.gz SNBJDZDDZVMGSN-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO Cn1cc(C(=O)OCCCc2[nH+]ccn2C)nn1 ZINC000809001034 644886366 /nfs/dbraw/zinc/88/63/66/644886366.db2.gz BCFHZFUOJPBLDG-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1Cc2ccncc2C1 ZINC000809563854 644891344 /nfs/dbraw/zinc/89/13/44/644891344.db2.gz TZLQDJWHWKSYBV-CYBMUJFWSA-N 1 2 244.298 0.655 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1Cc2ccncc2C1 ZINC000809563854 644891346 /nfs/dbraw/zinc/89/13/46/644891346.db2.gz TZLQDJWHWKSYBV-CYBMUJFWSA-N 1 2 244.298 0.655 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1Cc2ccncc2C1 ZINC000809565021 644892136 /nfs/dbraw/zinc/89/21/36/644892136.db2.gz QYTQXKBFLNTMNO-JTQLQIEISA-N 1 2 203.245 0.286 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1Cc2ccncc2C1 ZINC000809565021 644892141 /nfs/dbraw/zinc/89/21/41/644892141.db2.gz QYTQXKBFLNTMNO-JTQLQIEISA-N 1 2 203.245 0.286 20 0 BCADLO Cc1nc(NC[C@H](O)C(F)(F)F)nc(N)[nH+]1 ZINC000304455068 644908083 /nfs/dbraw/zinc/90/80/83/644908083.db2.gz KWRQKPQMSVADHK-BYPYZUCNSA-N 1 2 237.185 0.097 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)C(F)(F)F)[nH+]1 ZINC000304455068 644908088 /nfs/dbraw/zinc/90/80/88/644908088.db2.gz KWRQKPQMSVADHK-BYPYZUCNSA-N 1 2 237.185 0.097 20 0 BCADLO CCCOC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000304557346 644915135 /nfs/dbraw/zinc/91/51/35/644915135.db2.gz KWWQGHGAUYGIAK-SNVBAGLBSA-N 1 2 230.308 0.843 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC1OCCO1 ZINC000812887506 644934894 /nfs/dbraw/zinc/93/48/94/644934894.db2.gz USELTQXHYAPFHK-JTQLQIEISA-N 1 2 231.292 0.097 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC1OCCO1 ZINC000812887506 644934900 /nfs/dbraw/zinc/93/49/00/644934900.db2.gz USELTQXHYAPFHK-JTQLQIEISA-N 1 2 231.292 0.097 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816568898 644963667 /nfs/dbraw/zinc/96/36/67/644963667.db2.gz SOKWXXBMTWLNBU-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816568898 644963668 /nfs/dbraw/zinc/96/36/68/644963668.db2.gz SOKWXXBMTWLNBU-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000817339488 644972922 /nfs/dbraw/zinc/97/29/22/644972922.db2.gz LDOQRURNZPEGIV-JTQLQIEISA-N 1 2 235.287 0.903 20 0 BCADLO CC1=NO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000827124597 645073381 /nfs/dbraw/zinc/07/33/81/645073381.db2.gz CJEPLTCARZHOCL-QMMMGPOBSA-N 1 2 222.248 0.233 20 0 BCADLO CC1(C)C[C@@H](O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000827670467 645082990 /nfs/dbraw/zinc/08/29/90/645082990.db2.gz NGDLJACVNJWENZ-SNVBAGLBSA-N 1 2 237.303 0.503 20 0 BCADLO CCCONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000828240902 645100173 /nfs/dbraw/zinc/10/01/73/645100173.db2.gz IKTAWPJPSVXKNW-VIFPVBQESA-N 1 2 226.280 0.912 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC1(F)F ZINC000835268046 645165913 /nfs/dbraw/zinc/16/59/13/645165913.db2.gz XKWSFLJYQIWNDL-IUCAKERBSA-N 1 2 249.257 0.906 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc[nH+]1 ZINC000841393813 645209533 /nfs/dbraw/zinc/20/95/33/645209533.db2.gz SJWGIIJPPORNMA-VXNVDRBHSA-N 1 2 235.243 0.247 20 0 BCADLO CCN1C[C@H]([NH2+][C@@H]2C[C@H](C)n3ncnc32)CC1=O ZINC000926524361 645255102 /nfs/dbraw/zinc/25/51/02/645255102.db2.gz DRBJXOQZZDHUML-IVZWLZJFSA-N 1 2 249.318 0.494 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)c1ncco1)C(=O)NC ZINC000926548804 645271256 /nfs/dbraw/zinc/27/12/56/645271256.db2.gz CRDQGZILIOXPQS-JGVFFNPUSA-N 1 2 211.265 0.850 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926575227 645290975 /nfs/dbraw/zinc/29/09/75/645290975.db2.gz HUPQYKZQCMYWLJ-CNUIFLNQSA-N 1 2 227.264 0.442 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926595913 645304911 /nfs/dbraw/zinc/30/49/11/645304911.db2.gz SVAGWWSFTLOALC-IUCAKERBSA-N 1 2 239.323 0.379 20 0 BCADLO CC[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)C2)C[C@H]1C ZINC000843838887 645309912 /nfs/dbraw/zinc/30/99/12/645309912.db2.gz SXMXTSBYCJONKJ-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)[C@H]2CCC(=O)C2)C[C@H]1C ZINC000843838887 645309918 /nfs/dbraw/zinc/30/99/18/645309918.db2.gz SXMXTSBYCJONKJ-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ncco1 ZINC000926615736 645315637 /nfs/dbraw/zinc/31/56/37/645315637.db2.gz NJWWEDYVHNAGFW-SFYZADRCSA-N 1 2 237.259 0.473 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268076 645320057 /nfs/dbraw/zinc/32/00/57/645320057.db2.gz BLIUYJSWIPMGAG-MWLCHTKSSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268076 645320065 /nfs/dbraw/zinc/32/00/65/645320065.db2.gz BLIUYJSWIPMGAG-MWLCHTKSSA-N 1 2 240.303 0.690 20 0 BCADLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)OC ZINC000844384321 645323786 /nfs/dbraw/zinc/32/37/86/645323786.db2.gz FLQRLDDIJFUGBF-JTQLQIEISA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)OC ZINC000844384321 645323788 /nfs/dbraw/zinc/32/37/88/645323788.db2.gz FLQRLDDIJFUGBF-JTQLQIEISA-N 1 2 244.335 0.896 20 0 BCADLO COc1cc([C@H](C)[NH2+][C@H]2CCNC2=O)on1 ZINC000926670604 645346721 /nfs/dbraw/zinc/34/67/21/645346721.db2.gz DGHHLJBLZKTQAD-BQBZGAKWSA-N 1 2 225.248 0.222 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)n1 ZINC000926693228 645362742 /nfs/dbraw/zinc/36/27/42/645362742.db2.gz KVOXQWJOUCCHPB-DJLDLDEBSA-N 1 2 240.307 0.464 20 0 BCADLO CCn1nccc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926739332 645398077 /nfs/dbraw/zinc/39/80/77/645398077.db2.gz QGCRAFGCFADWPX-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CCC2(OC)OC)n1 ZINC000926747223 645401119 /nfs/dbraw/zinc/40/11/19/645401119.db2.gz OJHOHOAXUKBTPW-JTQLQIEISA-N 1 2 240.307 0.539 20 0 BCADLO CON1CCN(CCc2c[nH+]cn2C)CC1 ZINC000846971030 645408493 /nfs/dbraw/zinc/40/84/93/645408493.db2.gz IRPRDAUMZJLNJR-UHFFFAOYSA-N 1 2 224.308 0.142 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@@H+]1C)c1cnn(C)n1 ZINC000926894403 645480359 /nfs/dbraw/zinc/48/03/59/645480359.db2.gz MJYIJOHFIPERGV-BDAKNGLRSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@H+]1C)c1cnn(C)n1 ZINC000926894403 645480363 /nfs/dbraw/zinc/48/03/63/645480363.db2.gz MJYIJOHFIPERGV-BDAKNGLRSA-N 1 2 209.297 0.170 20 0 BCADLO CO[C@H]([C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854850868 645513851 /nfs/dbraw/zinc/51/38/51/645513851.db2.gz NMKJWWGAZXCWBE-QPUJVOFHSA-N 1 2 237.303 0.882 20 0 BCADLO Cc1cc(NC(=O)[C@H](O)c2cnn(C)c2)cc[nH+]1 ZINC000857451242 645563873 /nfs/dbraw/zinc/56/38/73/645563873.db2.gz ZFYBDAGYAPUNMV-LLVKDONJSA-N 1 2 246.270 0.218 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1c[nH+]cn1C ZINC000857507325 645581882 /nfs/dbraw/zinc/58/18/82/645581882.db2.gz PUNWKLWLPHCSKU-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CC2(O)CCC2)c1 ZINC000857535042 645602214 /nfs/dbraw/zinc/60/22/14/645602214.db2.gz DXCJNWXLFNEBPN-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)cnc1F ZINC000857706861 645657135 /nfs/dbraw/zinc/65/71/35/645657135.db2.gz UNGHXEWTBKOFSP-UHFFFAOYSA-N 1 2 237.278 0.917 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC2(CCC2)C1 ZINC000866550606 645730466 /nfs/dbraw/zinc/73/04/66/645730466.db2.gz UCDPWDXKTBLGIR-JTQLQIEISA-N 1 2 235.287 0.846 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930286717 645752679 /nfs/dbraw/zinc/75/26/79/645752679.db2.gz AAFXKDPFYNNKLQ-RCWTZXSCSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930286717 645752684 /nfs/dbraw/zinc/75/26/84/645752684.db2.gz AAFXKDPFYNNKLQ-RCWTZXSCSA-N 1 2 243.303 0.284 20 0 BCADLO FCC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877496450 645798885 /nfs/dbraw/zinc/79/88/85/645798885.db2.gz RXGAUFFEQQNURM-JTQLQIEISA-N 1 2 228.271 0.516 20 0 BCADLO FCC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877496451 645799389 /nfs/dbraw/zinc/79/93/89/645799389.db2.gz RXGAUFFEQQNURM-SNVBAGLBSA-N 1 2 228.271 0.516 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000928544482 645800465 /nfs/dbraw/zinc/80/04/65/645800465.db2.gz YLKIRCFQPGBZCY-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000928544482 645800468 /nfs/dbraw/zinc/80/04/68/645800468.db2.gz YLKIRCFQPGBZCY-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555008 645813763 /nfs/dbraw/zinc/81/37/63/645813763.db2.gz MXFLNDRARMSOGS-MWLCHTKSSA-N 1 2 236.319 0.409 20 0 BCADLO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555008 645813765 /nfs/dbraw/zinc/81/37/65/645813765.db2.gz MXFLNDRARMSOGS-MWLCHTKSSA-N 1 2 236.319 0.409 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1csc(C=O)c1 ZINC000928562096 645821150 /nfs/dbraw/zinc/82/11/50/645821150.db2.gz DPDJGDDRALKEOS-VIFPVBQESA-N 1 2 238.312 0.995 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1csc(C=O)c1 ZINC000928562096 645821155 /nfs/dbraw/zinc/82/11/55/645821155.db2.gz DPDJGDDRALKEOS-VIFPVBQESA-N 1 2 238.312 0.995 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nocc1C ZINC000878762269 645824084 /nfs/dbraw/zinc/82/40/84/645824084.db2.gz WJXCQFWJLSZNHT-NXEZZACHSA-N 1 2 212.249 0.486 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@H](C)C1 ZINC000946945348 645828739 /nfs/dbraw/zinc/82/87/39/645828739.db2.gz AJCXPDYRLVITOP-SCZZXKLOSA-N 1 2 238.291 0.559 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@H](C)C1 ZINC000946945348 645828742 /nfs/dbraw/zinc/82/87/42/645828742.db2.gz AJCXPDYRLVITOP-SCZZXKLOSA-N 1 2 238.291 0.559 20 0 BCADLO CC(C)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992230 645864760 /nfs/dbraw/zinc/86/47/60/645864760.db2.gz HBKCUKMJIFNCRV-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000928902690 645885097 /nfs/dbraw/zinc/88/50/97/645885097.db2.gz FZZVDAOLQFDNEF-VWYCJHECSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000928917028 645893316 /nfs/dbraw/zinc/89/33/16/645893316.db2.gz MTXKGSKWBHSATI-NXEZZACHSA-N 1 2 235.287 0.645 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCn2cccc2C1 ZINC000928958406 645914976 /nfs/dbraw/zinc/91/49/76/645914976.db2.gz GMUHBGLOTTXJDR-UHFFFAOYSA-N 1 2 230.271 0.727 20 0 BCADLO c1nc2c([nH]1)C[N@H+](CCO[C@H]1CCOC1)CC2 ZINC000929069551 645932722 /nfs/dbraw/zinc/93/27/22/645932722.db2.gz LXUYRFWCCSWYIA-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO c1nc2c([nH]1)C[N@@H+](CCO[C@H]1CCOC1)CC2 ZINC000929069551 645932728 /nfs/dbraw/zinc/93/27/28/645932728.db2.gz LXUYRFWCCSWYIA-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CC(=O)NCC1(C)C ZINC000930337785 645953476 /nfs/dbraw/zinc/95/34/76/645953476.db2.gz FJVZCGVXPYHEPN-YHYXMXQVSA-N 1 2 226.320 0.790 20 0 BCADLO COC/C(C)=C\C[N@H+]1CC(=O)NCC1(C)C ZINC000930337785 645953486 /nfs/dbraw/zinc/95/34/86/645953486.db2.gz FJVZCGVXPYHEPN-YHYXMXQVSA-N 1 2 226.320 0.790 20 0 BCADLO Cc1nnc(Cc2noc([C@@H](C)[NH+](C)C)n2)[nH]1 ZINC000924095154 645978404 /nfs/dbraw/zinc/97/84/04/645978404.db2.gz DCEPFLWFMMDPNX-ZCFIWIBFSA-N 1 2 236.279 0.710 20 0 BCADLO COC/C(C)=C/C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000929204030 646002954 /nfs/dbraw/zinc/00/29/54/646002954.db2.gz NIZWCUVXZFCEHU-LLMHMKPQSA-N 1 2 247.360 0.698 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000929204030 646002958 /nfs/dbraw/zinc/00/29/58/646002958.db2.gz NIZWCUVXZFCEHU-LLMHMKPQSA-N 1 2 247.360 0.698 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H](O)C2(O)CCC2)no1 ZINC000929258996 646042289 /nfs/dbraw/zinc/04/22/89/646042289.db2.gz MEVGYBCBEMVBJJ-LLVKDONJSA-N 1 2 240.303 0.691 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H](O)C2(O)CCC2)no1 ZINC000929258996 646042299 /nfs/dbraw/zinc/04/22/99/646042299.db2.gz MEVGYBCBEMVBJJ-LLVKDONJSA-N 1 2 240.303 0.691 20 0 BCADLO CNC(=O)C[N@H+](C)CCc1ccns1 ZINC000929259013 646043384 /nfs/dbraw/zinc/04/33/84/646043384.db2.gz MWWCDAPNBJQVLR-UHFFFAOYSA-N 1 2 213.306 0.363 20 0 BCADLO CNC(=O)C[N@@H+](C)CCc1ccns1 ZINC000929259013 646043387 /nfs/dbraw/zinc/04/33/87/646043387.db2.gz MWWCDAPNBJQVLR-UHFFFAOYSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H](c1ccc(F)nc1)[N@H+](C)CC(N)=O ZINC000929263056 646045168 /nfs/dbraw/zinc/04/51/68/646045168.db2.gz ULFVZOPRGVCCPC-SSDOTTSWSA-N 1 2 211.240 0.699 20 0 BCADLO C[C@H](c1ccc(F)nc1)[N@@H+](C)CC(N)=O ZINC000929263056 646045171 /nfs/dbraw/zinc/04/51/71/646045171.db2.gz ULFVZOPRGVCCPC-SSDOTTSWSA-N 1 2 211.240 0.699 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C/C(C)=C\C(=O)OC ZINC000929294385 646058813 /nfs/dbraw/zinc/05/88/13/646058813.db2.gz CMJDJPCOWGGHKT-YFHOEESVSA-N 1 2 243.303 0.991 20 0 BCADLO CCC[N@H+](CC(=O)OC)C/C(C)=C\C(=O)OC ZINC000929294385 646058815 /nfs/dbraw/zinc/05/88/15/646058815.db2.gz CMJDJPCOWGGHKT-YFHOEESVSA-N 1 2 243.303 0.991 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000924574100 646073136 /nfs/dbraw/zinc/07/31/36/646073136.db2.gz GBJRZDFZBDYWEC-DTWKUNHWSA-N 1 2 237.307 0.398 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cnn(C)n1 ZINC000924632349 646081754 /nfs/dbraw/zinc/08/17/54/646081754.db2.gz MKHZAYRLRJVKIR-IUCAKERBSA-N 1 2 237.307 0.134 20 0 BCADLO C[C@H]([NH2+]CCN1CCCCC1)c1cnn(C)n1 ZINC000924624635 646082097 /nfs/dbraw/zinc/08/20/97/646082097.db2.gz QSBKQDAVHWAGFV-NSHDSACASA-N 1 2 237.351 0.952 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1nnc(C)o1 ZINC000929360593 646096325 /nfs/dbraw/zinc/09/63/25/646096325.db2.gz PXKYYZNCPFKOTJ-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1nnc(C)o1 ZINC000929360593 646096330 /nfs/dbraw/zinc/09/63/30/646096330.db2.gz PXKYYZNCPFKOTJ-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924786563 646106460 /nfs/dbraw/zinc/10/64/60/646106460.db2.gz DFFIMQHQQJSUAA-VIFPVBQESA-N 1 2 239.323 0.334 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000924897708 646128687 /nfs/dbraw/zinc/12/86/87/646128687.db2.gz RHLSGUVSOMGNKN-POYBYMJQSA-N 1 2 224.264 0.259 20 0 BCADLO COC/C(C)=C/C[N@H+](C)CCS(C)(=O)=O ZINC000929493800 646148796 /nfs/dbraw/zinc/14/87/96/646148796.db2.gz CGQFBUAFLQIYCM-BJMVGYQFSA-N 1 2 235.349 0.556 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)CCS(C)(=O)=O ZINC000929493800 646148802 /nfs/dbraw/zinc/14/88/02/646148802.db2.gz CGQFBUAFLQIYCM-BJMVGYQFSA-N 1 2 235.349 0.556 20 0 BCADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1cc[nH]n1 ZINC000929623940 646206618 /nfs/dbraw/zinc/20/66/18/646206618.db2.gz FYAZGHVCJSQMIK-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1cc[nH]n1 ZINC000929623940 646206622 /nfs/dbraw/zinc/20/66/22/646206622.db2.gz FYAZGHVCJSQMIK-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@H+](CCO[C@H]1CCOC1)Cc1cc[nH]n1 ZINC000929623941 646207843 /nfs/dbraw/zinc/20/78/43/646207843.db2.gz FYAZGHVCJSQMIK-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1cc[nH]n1 ZINC000929623941 646207849 /nfs/dbraw/zinc/20/78/49/646207849.db2.gz FYAZGHVCJSQMIK-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COC/C(C)=C\C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000929626134 646210888 /nfs/dbraw/zinc/21/08/88/646210888.db2.gz HQZLKRPKCSALRL-SDKXAQGSSA-N 1 2 249.376 0.944 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000929626134 646210892 /nfs/dbraw/zinc/21/08/92/646210892.db2.gz HQZLKRPKCSALRL-SDKXAQGSSA-N 1 2 249.376 0.944 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925439376 646284628 /nfs/dbraw/zinc/28/46/28/646284628.db2.gz SLALTXLQMGSBAK-UWVGGRQHSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925439376 646284632 /nfs/dbraw/zinc/28/46/32/646284632.db2.gz SLALTXLQMGSBAK-UWVGGRQHSA-N 1 2 239.319 0.454 20 0 BCADLO CCc1cnc(C[N@H+](C)C[C@H](O)[C@H](C)O)s1 ZINC000929773852 646304113 /nfs/dbraw/zinc/30/41/13/646304113.db2.gz JLFRAJUMMCPXCL-WPRPVWTQSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1cnc(C[N@@H+](C)C[C@H](O)[C@H](C)O)s1 ZINC000929773852 646304122 /nfs/dbraw/zinc/30/41/22/646304122.db2.gz JLFRAJUMMCPXCL-WPRPVWTQSA-N 1 2 244.360 0.879 20 0 BCADLO C[C@@H](NCC[NH+]1CCC1)c1cnn(C)n1 ZINC000925604525 646354270 /nfs/dbraw/zinc/35/42/70/646354270.db2.gz KVZHYGUSBAYHTK-SECBINFHSA-N 1 2 209.297 0.171 20 0 BCADLO C[C@@H]1C[C@H](NCC[NH+]2CCC2)c2ncnn21 ZINC000925603524 646355912 /nfs/dbraw/zinc/35/59/12/646355912.db2.gz CEUHMQIHAZCLDI-ZJUUUORDSA-N 1 2 221.308 0.579 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)C1(O)CCC1)C(C)C ZINC000929892911 646370571 /nfs/dbraw/zinc/37/05/71/646370571.db2.gz NCHAUCSFSUIMOH-JTQLQIEISA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)C1(O)CCC1)C(C)C ZINC000929892911 646370574 /nfs/dbraw/zinc/37/05/74/646370574.db2.gz NCHAUCSFSUIMOH-JTQLQIEISA-N 1 2 245.319 0.146 20 0 BCADLO CCn1cc(C[NH2+]C2(C(N)=O)CCCC2)nn1 ZINC000930000576 646390826 /nfs/dbraw/zinc/39/08/26/646390826.db2.gz LYRLHLPCMPASHK-UHFFFAOYSA-N 1 2 237.307 0.186 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930068550 646419034 /nfs/dbraw/zinc/41/90/34/646419034.db2.gz JNTBLGKJDFKIHQ-MDZLAQPJSA-N 1 2 249.314 0.572 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930068550 646419037 /nfs/dbraw/zinc/41/90/37/646419037.db2.gz JNTBLGKJDFKIHQ-MDZLAQPJSA-N 1 2 249.314 0.572 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930068549 646419258 /nfs/dbraw/zinc/41/92/58/646419258.db2.gz JNTBLGKJDFKIHQ-GVXVVHGQSA-N 1 2 249.314 0.572 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930068549 646419259 /nfs/dbraw/zinc/41/92/59/646419259.db2.gz JNTBLGKJDFKIHQ-GVXVVHGQSA-N 1 2 249.314 0.572 20 0 BCADLO CC[N@H+](CCOC1CC1)CCS(C)(=O)=O ZINC000930082635 646424886 /nfs/dbraw/zinc/42/48/86/646424886.db2.gz RUUPWIBGLBOSJQ-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CC[N@@H+](CCOC1CC1)CCS(C)(=O)=O ZINC000930082635 646424888 /nfs/dbraw/zinc/42/48/88/646424888.db2.gz RUUPWIBGLBOSJQ-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCc1onc(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000930106097 646437576 /nfs/dbraw/zinc/43/75/76/646437576.db2.gz VCLYQTMXKCMTSH-SNVBAGLBSA-N 1 2 237.303 0.866 20 0 BCADLO CCc1onc(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000930106097 646437580 /nfs/dbraw/zinc/43/75/80/646437580.db2.gz VCLYQTMXKCMTSH-SNVBAGLBSA-N 1 2 237.303 0.866 20 0 BCADLO C[N@H+](Cc1cnn(CCF)c1)[C@H]1CCNC1=O ZINC000930106356 646438066 /nfs/dbraw/zinc/43/80/66/646438066.db2.gz XBDHMZZKLXONJV-JTQLQIEISA-N 1 2 240.282 0.173 20 0 BCADLO C[N@@H+](Cc1cnn(CCF)c1)[C@H]1CCNC1=O ZINC000930106356 646438073 /nfs/dbraw/zinc/43/80/73/646438073.db2.gz XBDHMZZKLXONJV-JTQLQIEISA-N 1 2 240.282 0.173 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930121566 646445227 /nfs/dbraw/zinc/44/52/27/646445227.db2.gz OXNFQMPKPGVKGF-VWYCJHECSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930121566 646445232 /nfs/dbraw/zinc/44/52/32/646445232.db2.gz OXNFQMPKPGVKGF-VWYCJHECSA-N 1 2 237.303 0.645 20 0 BCADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C(F)F ZINC000925769905 646471665 /nfs/dbraw/zinc/47/16/65/646471665.db2.gz HCRDMMHCXJYHBN-BIIVOSGPSA-N 1 2 236.262 0.523 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CNOC2)c2nccn21 ZINC000925864798 646515971 /nfs/dbraw/zinc/51/59/71/646515971.db2.gz BLSMXMCOGKRZCP-HRDYMLBCSA-N 1 2 208.265 0.382 20 0 BCADLO Cc1nccnc1[C@H](C)[NH2+][C@H]1CNOC1 ZINC000925868557 646520200 /nfs/dbraw/zinc/52/02/00/646520200.db2.gz COMLESZQVUBMDE-IUCAKERBSA-N 1 2 208.265 0.339 20 0 BCADLO Cc1nc(CC[NH2+][C@@H](C)c2nonc2C)n[nH]1 ZINC000926113619 646576637 /nfs/dbraw/zinc/57/66/37/646576637.db2.gz CIBXAXASBUJZTR-LURJTMIESA-N 1 2 236.279 0.698 20 0 BCADLO CCOCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933530348 711536427 /nfs/dbraw/zinc/53/64/27/711536427.db2.gz WZSUPNNSNOPOGA-LBPRGKRZSA-N 1 2 239.319 0.830 20 0 BCADLO CCOCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933530348 711536428 /nfs/dbraw/zinc/53/64/28/711536428.db2.gz WZSUPNNSNOPOGA-LBPRGKRZSA-N 1 2 239.319 0.830 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C[C@H]1F ZINC000934565273 711593731 /nfs/dbraw/zinc/59/37/31/711593731.db2.gz BUQZJOSJXAFVGO-UTUOFQBUSA-N 1 2 247.310 0.934 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C[C@H]1F ZINC000934565273 711593734 /nfs/dbraw/zinc/59/37/34/711593734.db2.gz BUQZJOSJXAFVGO-UTUOFQBUSA-N 1 2 247.310 0.934 20 0 BCADLO Cc1cc(CN(C)C(=O)C[C@@H]([NH3+])C(F)F)no1 ZINC000724741914 711609988 /nfs/dbraw/zinc/60/99/88/711609988.db2.gz BKYHHBUNQSVLPV-MRVPVSSYSA-N 1 2 247.245 0.924 20 0 BCADLO COC(=O)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724715923 711609422 /nfs/dbraw/zinc/60/94/22/711609422.db2.gz LVSQGWZCJJPVOV-LURJTMIESA-N 1 2 238.234 0.038 20 0 BCADLO CCOCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724730371 711609607 /nfs/dbraw/zinc/60/96/07/711609607.db2.gz ROTBLRLLOZVHGH-ZCFIWIBFSA-N 1 2 210.224 0.122 20 0 BCADLO CSCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724730373 711609751 /nfs/dbraw/zinc/60/97/51/711609751.db2.gz RTNPICZILVLWLZ-LURJTMIESA-N 1 2 226.292 0.838 20 0 BCADLO CCCNC(=S)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136029392 711681073 /nfs/dbraw/zinc/68/10/73/711681073.db2.gz RZEUAXJFTHPWNM-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CC(C)C[C@H]1C[N@H+](C)CCN1CCO ZINC000108349245 711767296 /nfs/dbraw/zinc/76/72/96/711767296.db2.gz UNMOVUANBGJHNG-NSHDSACASA-N 1 2 200.326 0.641 20 0 BCADLO CC(C)C[C@H]1C[N@@H+](C)CCN1CCO ZINC000108349245 711767297 /nfs/dbraw/zinc/76/72/97/711767297.db2.gz UNMOVUANBGJHNG-NSHDSACASA-N 1 2 200.326 0.641 20 0 BCADLO Cn1cnnc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897405333 711790527 /nfs/dbraw/zinc/79/05/27/711790527.db2.gz ZQODSEUNROHIKS-MRVPVSSYSA-N 1 2 237.307 0.626 20 0 BCADLO Cn1cnnc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897405333 711790528 /nfs/dbraw/zinc/79/05/28/711790528.db2.gz ZQODSEUNROHIKS-MRVPVSSYSA-N 1 2 237.307 0.626 20 0 BCADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1=CCCC1 ZINC001076875056 711809310 /nfs/dbraw/zinc/80/93/10/711809310.db2.gz JXDZABZVVUCXOK-GHMZBOCLSA-N 1 2 242.294 0.228 20 0 BCADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1=CCCC1 ZINC001076875056 711809312 /nfs/dbraw/zinc/80/93/12/711809312.db2.gz JXDZABZVVUCXOK-GHMZBOCLSA-N 1 2 242.294 0.228 20 0 BCADLO COCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068960740 711890322 /nfs/dbraw/zinc/89/03/22/711890322.db2.gz OZAJIJITPRFORI-UHFFFAOYSA-N 1 2 242.279 0.944 20 0 BCADLO COCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068960740 711890324 /nfs/dbraw/zinc/89/03/24/711890324.db2.gz OZAJIJITPRFORI-UHFFFAOYSA-N 1 2 242.279 0.944 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1c[nH]cn1)C(C)C ZINC000382425471 711940295 /nfs/dbraw/zinc/94/02/95/711940295.db2.gz YANGQPCVZYFTOZ-JTQLQIEISA-N 1 2 224.308 0.660 20 0 BCADLO CN(C(=O)C(F)F)[C@@H]1CC[N@H+](CCF)C1 ZINC001032851296 711962735 /nfs/dbraw/zinc/96/27/35/711962735.db2.gz YOEDYQUKQVWHGN-SSDOTTSWSA-N 1 2 224.226 0.754 20 0 BCADLO CN(C(=O)C(F)F)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032851296 711962736 /nfs/dbraw/zinc/96/27/36/711962736.db2.gz YOEDYQUKQVWHGN-SSDOTTSWSA-N 1 2 224.226 0.754 20 0 BCADLO CN(C(=O)c1cnon1)[C@H]1CC[N@H+](CCF)C1 ZINC001033520230 711999247 /nfs/dbraw/zinc/99/92/47/711999247.db2.gz AINNEHAZTSAMSH-QMMMGPOBSA-N 1 2 242.254 0.185 20 0 BCADLO CN(C(=O)c1cnon1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033520230 711999248 /nfs/dbraw/zinc/99/92/48/711999248.db2.gz AINNEHAZTSAMSH-QMMMGPOBSA-N 1 2 242.254 0.185 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000701858960 712031280 /nfs/dbraw/zinc/03/12/80/712031280.db2.gz MYSMPLODDLSKHM-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1ncc(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000701858960 712031281 /nfs/dbraw/zinc/03/12/81/712031281.db2.gz MYSMPLODDLSKHM-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO CNc1cc(NC[C@@]2(O)CCSC2)[nH+]cn1 ZINC000702305948 712044079 /nfs/dbraw/zinc/04/40/79/712044079.db2.gz JDXLNUNCFOMZOX-JTQLQIEISA-N 1 2 240.332 0.798 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccc(N)nn1 ZINC000703978203 712098142 /nfs/dbraw/zinc/09/81/42/712098142.db2.gz QCJCQVMOKXNKKS-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO Cn1nc(C[N@H+](C)CCOCCO)cc1Cl ZINC000706173120 712141443 /nfs/dbraw/zinc/14/14/43/712141443.db2.gz DCNUXVWZCGXHSE-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cn1nc(C[N@@H+](C)CCOCCO)cc1Cl ZINC000706173120 712141444 /nfs/dbraw/zinc/14/14/44/712141444.db2.gz DCNUXVWZCGXHSE-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000710965408 712269468 /nfs/dbraw/zinc/26/94/68/712269468.db2.gz HZUVPPPRRAIYDL-SECBINFHSA-N 1 2 226.280 0.056 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000710967872 712270553 /nfs/dbraw/zinc/27/05/53/712270553.db2.gz QFYRXSBBQURNDN-VIFPVBQESA-N 1 2 226.280 0.056 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000711023943 712274959 /nfs/dbraw/zinc/27/49/59/712274959.db2.gz FMZMMYIMXLOJCD-SNVBAGLBSA-N 1 2 225.292 0.661 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nnc(C)[nH]1)C(N)=O ZINC000379459425 712385180 /nfs/dbraw/zinc/38/51/80/712385180.db2.gz QTBZFCNEEDJMQV-RCOVLWMOSA-N 1 2 225.296 0.103 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC000714251444 712480799 /nfs/dbraw/zinc/48/07/99/712480799.db2.gz CWAMVTLXVNXWHV-KYZUINATSA-N 1 2 230.289 0.340 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715903098 712541379 /nfs/dbraw/zinc/54/13/79/712541379.db2.gz QRKNWYBGZDUVNN-BDAKNGLRSA-N 1 2 239.323 0.379 20 0 BCADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cn(C)nn1 ZINC000715899699 712541422 /nfs/dbraw/zinc/54/14/22/712541422.db2.gz BOTJBHHRQLSGLI-QMMMGPOBSA-N 1 2 239.323 0.380 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnccn1 ZINC000813335091 712587887 /nfs/dbraw/zinc/58/78/87/712587887.db2.gz KIEDCUGCJBQUIW-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnccn1 ZINC000813335091 712587889 /nfs/dbraw/zinc/58/78/89/712587889.db2.gz KIEDCUGCJBQUIW-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO CSCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379837160 712616568 /nfs/dbraw/zinc/61/65/68/712616568.db2.gz CBDAHAJLJVIZNP-ZCFIWIBFSA-N 1 2 227.337 0.568 20 0 BCADLO CSCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379837160 712616569 /nfs/dbraw/zinc/61/65/69/712616569.db2.gz CBDAHAJLJVIZNP-ZCFIWIBFSA-N 1 2 227.337 0.568 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](CC)CCO ZINC000221243889 712658860 /nfs/dbraw/zinc/65/88/60/712658860.db2.gz LLNCSXYDGLLBQQ-UHFFFAOYSA-N 1 2 223.338 0.125 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](CC)CCO ZINC000221243889 712658861 /nfs/dbraw/zinc/65/88/61/712658861.db2.gz LLNCSXYDGLLBQQ-UHFFFAOYSA-N 1 2 223.338 0.125 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000380190119 712709202 /nfs/dbraw/zinc/70/92/02/712709202.db2.gz OPFDBENEOKSBAG-WCBMZHEXSA-N 1 2 215.293 0.689 20 0 BCADLO CCOCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928634472 712711435 /nfs/dbraw/zinc/71/14/35/712711435.db2.gz DEXVMQQTJNSCAO-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CN1CC[N@H+](CCc2ccns2)[C@H](CO)C1 ZINC000719878041 712825112 /nfs/dbraw/zinc/82/51/12/712825112.db2.gz HCJUHWVLUJHREC-JTQLQIEISA-N 1 2 241.360 0.294 20 0 BCADLO CN1CC[N@@H+](CCc2ccns2)[C@H](CO)C1 ZINC000719878041 712825115 /nfs/dbraw/zinc/82/51/15/712825115.db2.gz HCJUHWVLUJHREC-JTQLQIEISA-N 1 2 241.360 0.294 20 0 BCADLO Cc1nc([C@@H](C)[NH2+][C@H](CO)C2CC2)no1 ZINC000393619471 710638343 /nfs/dbraw/zinc/63/83/43/710638343.db2.gz AGMYRYIZCLIVLQ-HZGVNTEJSA-N 1 2 211.265 0.800 20 0 BCADLO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncn[nH]1 ZINC001018159994 710663182 /nfs/dbraw/zinc/66/31/82/710663182.db2.gz VNMMTEMEXDVJJN-AOOOYVTPSA-N 1 2 249.318 0.042 20 0 BCADLO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncn[nH]1 ZINC001018159994 710663186 /nfs/dbraw/zinc/66/31/86/710663186.db2.gz VNMMTEMEXDVJJN-AOOOYVTPSA-N 1 2 249.318 0.042 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CCN(C(C)=O)C2)o1 ZINC001018383799 710664339 /nfs/dbraw/zinc/66/43/39/710664339.db2.gz IUAIVSPMSNFYBN-VIFPVBQESA-N 1 2 238.291 0.342 20 0 BCADLO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1csnn1 ZINC000724926787 710749525 /nfs/dbraw/zinc/74/95/25/710749525.db2.gz UWUPRJLXOCILBF-RKDXNWHRSA-N 1 2 243.332 0.994 20 0 BCADLO CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001040483506 710759539 /nfs/dbraw/zinc/75/95/39/710759539.db2.gz NSYJMFFNYZPJSK-NWDGAFQWSA-N 1 2 246.314 0.842 20 0 BCADLO CN(C(=O)c1cn[nH]c1)C1C[NH+](CCCF)C1 ZINC001042502129 710788293 /nfs/dbraw/zinc/78/82/93/710788293.db2.gz SOPJOIWJEUREBT-UHFFFAOYSA-N 1 2 240.282 0.526 20 0 BCADLO CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001042385188 710778489 /nfs/dbraw/zinc/77/84/89/710778489.db2.gz HWECSMMLNGTXHF-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042424282 710782074 /nfs/dbraw/zinc/78/20/74/710782074.db2.gz UTKAJCBSJRWXKX-LLVKDONJSA-N 1 2 248.326 0.824 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042477621 710786116 /nfs/dbraw/zinc/78/61/16/710786116.db2.gz AZFKIJLRIIVLAX-VIFPVBQESA-N 1 2 238.287 0.417 20 0 BCADLO Cc1cccnc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042595005 710794655 /nfs/dbraw/zinc/79/46/55/710794655.db2.gz OZNOYYQNEALZJS-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO CN(C(=O)[C@@H]1CCC1(F)F)C1C[NH+](CCO)C1 ZINC001043033959 710802260 /nfs/dbraw/zinc/80/22/60/710802260.db2.gz DQGCIWZRQPOANX-VIFPVBQESA-N 1 2 248.273 0.167 20 0 BCADLO CN(C(=O)[C@H]1CC[C@@H](F)C1)C1C[NH+](CCO)C1 ZINC001043659888 710810287 /nfs/dbraw/zinc/81/02/87/710810287.db2.gz QHRYJGJSRYQSDK-VHSXEESVSA-N 1 2 244.310 0.260 20 0 BCADLO CCn1ccc(C(=O)N(C)C2C[NH+](CC)C2)n1 ZINC001044004084 710816323 /nfs/dbraw/zinc/81/63/23/710816323.db2.gz ZTZJATJKVCGHHG-UHFFFAOYSA-N 1 2 236.319 0.679 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001043967785 710817116 /nfs/dbraw/zinc/81/71/16/710817116.db2.gz FODRMFLWSXFUIF-NSHDSACASA-N 1 2 238.331 0.576 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044111154 710819781 /nfs/dbraw/zinc/81/97/81/710819781.db2.gz DMLBWSHFEYOOQE-NWDGAFQWSA-N 1 2 240.347 0.413 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001046087324 710846727 /nfs/dbraw/zinc/84/67/27/710846727.db2.gz QIDIJDOXFMLLKP-GFCCVEGCSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C)n2)C1 ZINC001046087324 710846732 /nfs/dbraw/zinc/84/67/32/710846732.db2.gz QIDIJDOXFMLLKP-GFCCVEGCSA-N 1 2 236.319 0.521 20 0 BCADLO CC(C)C(=O)N(C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047306185 710870749 /nfs/dbraw/zinc/87/07/49/710870749.db2.gz MCHARZWKYVJCDD-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)C(=O)N(C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047306185 710870752 /nfs/dbraw/zinc/87/07/52/710870752.db2.gz MCHARZWKYVJCDD-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053107202 710918853 /nfs/dbraw/zinc/91/88/53/710918853.db2.gz BPDMLYIKJRMBDG-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C(C)(F)F)CCO2 ZINC001053125008 710919645 /nfs/dbraw/zinc/91/96/45/710919645.db2.gz XCXMHWHHJWGIRD-UHFFFAOYSA-N 1 2 248.273 0.575 20 0 BCADLO CC(=O)N1CCOC2(C[NH+](CC[C@@H](C)F)C2)C1 ZINC001053114018 710919874 /nfs/dbraw/zinc/91/98/74/710919874.db2.gz VYFKDIDIONXMIT-SNVBAGLBSA-N 1 2 244.310 0.668 20 0 BCADLO CCC[NH+]1CC2(C1)CN(C(=O)CC)CCO2 ZINC001053112106 710919910 /nfs/dbraw/zinc/91/99/10/710919910.db2.gz XOHKWMWGSPIBCS-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053708383 710921645 /nfs/dbraw/zinc/92/16/45/710921645.db2.gz AZRITBHFPBZWJL-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC1)CO2 ZINC001053811307 710923218 /nfs/dbraw/zinc/92/32/18/710923218.db2.gz NHYNNINCNNJFBW-SNVBAGLBSA-N 1 2 238.331 0.766 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)CO2 ZINC001053715704 710923429 /nfs/dbraw/zinc/92/34/29/710923429.db2.gz CNMAQKGSMLYWKI-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054300445 710925067 /nfs/dbraw/zinc/92/50/67/710925067.db2.gz FJBVQFHCSFHFOZ-XCBNKYQSSA-N 1 2 238.291 0.334 20 0 BCADLO CC(C)=CC[N@@H+]1CCOC[C@H]1CNC(C)=O ZINC001050778202 710954450 /nfs/dbraw/zinc/95/44/50/710954450.db2.gz LSIMNYIDICLLTB-GFCCVEGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC[N@H+]1CCOC[C@H]1CNC(C)=O ZINC001050778202 710954455 /nfs/dbraw/zinc/95/44/55/710954455.db2.gz LSIMNYIDICLLTB-GFCCVEGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050879966 710955544 /nfs/dbraw/zinc/95/55/44/710955544.db2.gz RKHVLZRUMDFCCG-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050879966 710955545 /nfs/dbraw/zinc/95/55/45/710955545.db2.gz RKHVLZRUMDFCCG-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051142529 710955651 /nfs/dbraw/zinc/95/56/51/710955651.db2.gz OQAQNZUATIIIJH-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051142529 710955657 /nfs/dbraw/zinc/95/56/57/710955657.db2.gz OQAQNZUATIIIJH-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050910930 710955773 /nfs/dbraw/zinc/95/57/73/710955773.db2.gz MTVKSIPCVJRBED-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050910930 710955776 /nfs/dbraw/zinc/95/57/76/710955776.db2.gz MTVKSIPCVJRBED-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050910938 710955887 /nfs/dbraw/zinc/95/58/87/710955887.db2.gz MTVKSIPCVJRBED-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050910938 710955890 /nfs/dbraw/zinc/95/58/90/710955890.db2.gz MTVKSIPCVJRBED-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001051123367 710956159 /nfs/dbraw/zinc/95/61/59/710956159.db2.gz WEIZBKFYEWHDRT-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001051123367 710956160 /nfs/dbraw/zinc/95/61/60/710956160.db2.gz WEIZBKFYEWHDRT-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cnn(C)n1 ZINC000384852117 710998713 /nfs/dbraw/zinc/99/87/13/710998713.db2.gz BUALOBKVTCTICA-PSASIEDQSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cnn(C)n1 ZINC000384852117 710998716 /nfs/dbraw/zinc/99/87/16/710998716.db2.gz BUALOBKVTCTICA-PSASIEDQSA-N 1 2 210.281 0.160 20 0 BCADLO CNc1cc(N2CC(C)(OC)C2)nc[nH+]1 ZINC000382617491 710973243 /nfs/dbraw/zinc/97/32/43/710973243.db2.gz VEZWHTTTZQAPGD-UHFFFAOYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CC(C)(OC)C2)[nH+]cn1 ZINC000382617491 710973245 /nfs/dbraw/zinc/97/32/45/710973245.db2.gz VEZWHTTTZQAPGD-UHFFFAOYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2C[C@@H](C)[C@@H](O)C2)nc[nH+]1 ZINC000388314895 711058595 /nfs/dbraw/zinc/05/85/95/711058595.db2.gz YAGDJLVSQMKWRY-SFYZADRCSA-N 1 2 208.265 0.335 20 0 BCADLO CNc1cc(N2C[C@@H](C)[C@@H](O)C2)[nH+]cn1 ZINC000388314895 711058599 /nfs/dbraw/zinc/05/85/99/711058599.db2.gz YAGDJLVSQMKWRY-SFYZADRCSA-N 1 2 208.265 0.335 20 0 BCADLO CCC[N@@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001069848854 711072227 /nfs/dbraw/zinc/07/22/27/711072227.db2.gz RFCJPKHRGVOCJV-UHFFFAOYSA-N 1 2 236.319 0.745 20 0 BCADLO CCC[N@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001069848854 711072230 /nfs/dbraw/zinc/07/22/30/711072230.db2.gz RFCJPKHRGVOCJV-UHFFFAOYSA-N 1 2 236.319 0.745 20 0 BCADLO Cn1ncc(CNc2[nH+]c3ccccc3n2C)n1 ZINC000389907780 711097274 /nfs/dbraw/zinc/09/72/74/711097274.db2.gz HTDOEPWKQHSZRV-UHFFFAOYSA-N 1 2 242.286 0.736 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000390413356 711114766 /nfs/dbraw/zinc/11/47/66/711114766.db2.gz FYPLVNHRAXOKAX-SECBINFHSA-N 1 2 245.348 0.333 20 0 BCADLO CC(C)C1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000390617179 711129668 /nfs/dbraw/zinc/12/96/68/711129668.db2.gz HGUVNWWMWJSWJS-UHFFFAOYSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@H]1CN(Cc2ccc(N)[nH+]c2)S(=O)(=O)C1 ZINC000393559831 711163911 /nfs/dbraw/zinc/16/39/11/711163911.db2.gz DWMGTCWPKVDJJV-QMMMGPOBSA-N 1 2 241.316 0.276 20 0 BCADLO Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000487643789 711400884 /nfs/dbraw/zinc/40/08/84/711400884.db2.gz RGNILRFXXMVJGP-SECBINFHSA-N 1 2 245.286 0.538 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398399515 711409998 /nfs/dbraw/zinc/40/99/98/711409998.db2.gz MGMDLRPTWAJRLN-NXEZZACHSA-N 1 2 222.292 0.852 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398399515 711410001 /nfs/dbraw/zinc/41/00/01/711410001.db2.gz MGMDLRPTWAJRLN-NXEZZACHSA-N 1 2 222.292 0.852 20 0 BCADLO OCC[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000399660060 711434186 /nfs/dbraw/zinc/43/41/86/711434186.db2.gz GBXJTVFGTJZTFH-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO OCC[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000399660060 711434188 /nfs/dbraw/zinc/43/41/88/711434188.db2.gz GBXJTVFGTJZTFH-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@H+](Cc2cnsn2)C1 ZINC000399915135 711436283 /nfs/dbraw/zinc/43/62/83/711436283.db2.gz KBEYFKOUQMXHNX-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cnsn2)C1 ZINC000399915135 711436286 /nfs/dbraw/zinc/43/62/86/711436286.db2.gz KBEYFKOUQMXHNX-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cnsn2)C1 ZINC000399915141 711436608 /nfs/dbraw/zinc/43/66/08/711436608.db2.gz KBEYFKOUQMXHNX-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cnsn2)C1 ZINC000399915141 711436610 /nfs/dbraw/zinc/43/66/10/711436610.db2.gz KBEYFKOUQMXHNX-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1nnc(C[NH2+]C2(C(N)=O)CCCC2)s1 ZINC000381357324 710626353 /nfs/dbraw/zinc/62/63/53/710626353.db2.gz DOHRGCVCRYZIKW-UHFFFAOYSA-N 1 2 240.332 0.734 20 0 BCADLO Fc1c[nH+]ccc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724545680 710742732 /nfs/dbraw/zinc/74/27/32/710742732.db2.gz DQAPBPGCKPUZIF-PTRXPTGYSA-N 1 2 238.262 0.858 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(F)F)CO2 ZINC001053717897 710922317 /nfs/dbraw/zinc/92/23/17/710922317.db2.gz WZHXJRRADASWNP-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000389827369 711091072 /nfs/dbraw/zinc/09/10/72/711091072.db2.gz TUGCNQFJAKZMEC-MRVPVSSYSA-N 1 2 234.307 0.708 20 0 BCADLO CON(C)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000397533689 711382132 /nfs/dbraw/zinc/38/21/32/711382132.db2.gz MNOAGFRYWQSXBM-SSDOTTSWSA-N 1 2 229.305 0.814 20 0 BCADLO OCC[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000399660057 711433953 /nfs/dbraw/zinc/43/39/53/711433953.db2.gz GBXJTVFGTJZTFH-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO OCC[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000399660057 711433950 /nfs/dbraw/zinc/43/39/50/711433950.db2.gz GBXJTVFGTJZTFH-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074130129 711441709 /nfs/dbraw/zinc/44/17/09/711441709.db2.gz BXBZWVPSUFGSGZ-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074130129 711441711 /nfs/dbraw/zinc/44/17/11/711441711.db2.gz BXBZWVPSUFGSGZ-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074175417 711442055 /nfs/dbraw/zinc/44/20/55/711442055.db2.gz UKLSQQLDQNUNFL-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074175417 711442056 /nfs/dbraw/zinc/44/20/56/711442056.db2.gz UKLSQQLDQNUNFL-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000037688750 711466866 /nfs/dbraw/zinc/46/68/66/711466866.db2.gz HWUHJOSEFWGKRY-DTWKUNHWSA-N 1 2 203.282 0.545 20 0 BCADLO Cc1nc([C@@H](C)[NH2+][C@@H](CO)C2CC2)no1 ZINC000393619478 711594874 /nfs/dbraw/zinc/59/48/74/711594874.db2.gz AGMYRYIZCLIVLQ-MUWHJKNJSA-N 1 2 211.265 0.800 20 0 BCADLO [NH3+][C@H](CC(=O)NCCCn1cccn1)C(F)F ZINC000724742857 711610626 /nfs/dbraw/zinc/61/06/26/711610626.db2.gz QZJUPCIHESJDSP-MRVPVSSYSA-N 1 2 246.261 0.372 20 0 BCADLO CC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000724771556 711611883 /nfs/dbraw/zinc/61/18/83/711611883.db2.gz MCLYQGSBGKSLML-JGVFFNPUSA-N 1 2 236.262 0.606 20 0 BCADLO c1snnc1C[NH2+]CCO[C@H]1CCOC1 ZINC000724926828 711629463 /nfs/dbraw/zinc/62/94/63/711629463.db2.gz VQARDVXYBFYHGI-VIFPVBQESA-N 1 2 229.305 0.433 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724962002 711638066 /nfs/dbraw/zinc/63/80/66/711638066.db2.gz UQADZKUCIUVRRQ-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724962002 711638067 /nfs/dbraw/zinc/63/80/67/711638067.db2.gz UQADZKUCIUVRRQ-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CC(=O)CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000308994526 711659271 /nfs/dbraw/zinc/65/92/71/711659271.db2.gz PENTZXXTWGNOFD-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO CC(=O)CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000308994526 711659274 /nfs/dbraw/zinc/65/92/74/711659274.db2.gz PENTZXXTWGNOFD-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO CC(=O)CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000308994527 711659334 /nfs/dbraw/zinc/65/93/34/711659334.db2.gz PENTZXXTWGNOFD-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CC(=O)CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000308994527 711659337 /nfs/dbraw/zinc/65/93/37/711659337.db2.gz PENTZXXTWGNOFD-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CC(C)OCCNC(=O)NCc1c[nH+]cn1C ZINC000292643366 711662543 /nfs/dbraw/zinc/66/25/43/711662543.db2.gz VYBYTNOYRDFREP-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO Cn1nnc(C[NH2+]C[C@@H](O)c2ccccc2)n1 ZINC000236096930 711671102 /nfs/dbraw/zinc/67/11/02/711671102.db2.gz UEDQYXWBNGRJGL-SNVBAGLBSA-N 1 2 233.275 0.033 20 0 BCADLO C[C@H]1C[C@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000334595917 711718176 /nfs/dbraw/zinc/71/81/76/711718176.db2.gz PHLYMXYHTMFQQL-IUCAKERBSA-N 1 2 248.330 0.926 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H](CO)O1 ZINC000893418383 711720679 /nfs/dbraw/zinc/72/06/79/711720679.db2.gz WZJRIEYQCZJNND-UWVGGRQHSA-N 1 2 248.286 0.315 20 0 BCADLO CCN1CCC[C@@H](Nc2cc(NC)[nH+]cn2)C1=O ZINC000722342706 711741973 /nfs/dbraw/zinc/74/19/73/711741973.db2.gz WKCZCKISECXRSH-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CCN1CCC[C@@H](Nc2cc(NC)nc[nH+]2)C1=O ZINC000722342706 711741976 /nfs/dbraw/zinc/74/19/76/711741976.db2.gz WKCZCKISECXRSH-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CCN1CCC[C@H](Nc2cc(NC)[nH+]cn2)C1=O ZINC000722342707 711742040 /nfs/dbraw/zinc/74/20/40/711742040.db2.gz WKCZCKISECXRSH-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO CCN1CCC[C@H](Nc2cc(NC)nc[nH+]2)C1=O ZINC000722342707 711742044 /nfs/dbraw/zinc/74/20/44/711742044.db2.gz WKCZCKISECXRSH-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO O=C(NC[C@H]1CC[N@@H+]1CC1CC1)c1nc[nH]n1 ZINC001038826514 711746722 /nfs/dbraw/zinc/74/67/22/711746722.db2.gz PTDKPXUIEBRJFD-SECBINFHSA-N 1 2 235.291 0.019 20 0 BCADLO O=C(NC[C@H]1CC[N@H+]1CC1CC1)c1nc[nH]n1 ZINC001038826514 711746724 /nfs/dbraw/zinc/74/67/24/711746724.db2.gz PTDKPXUIEBRJFD-SECBINFHSA-N 1 2 235.291 0.019 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038841766 711750466 /nfs/dbraw/zinc/75/04/66/711750466.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038841766 711750468 /nfs/dbraw/zinc/75/04/68/711750468.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038841766 711750470 /nfs/dbraw/zinc/75/04/70/711750470.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038841766 711750472 /nfs/dbraw/zinc/75/04/72/711750472.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC12CC2 ZINC000868960325 711783953 /nfs/dbraw/zinc/78/39/53/711783953.db2.gz UPXMENLUAVLFDH-FMBMQGQPSA-N 1 2 236.315 0.544 20 0 BCADLO CC(C)(C(=O)Nc1nn[nH]n1)[NH+]1CCCCC1 ZINC000906730319 711814142 /nfs/dbraw/zinc/81/41/42/711814142.db2.gz NCBLBUBQMBGXEC-UHFFFAOYSA-N 1 2 238.295 0.403 20 0 BCADLO CC(C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913473295 711822626 /nfs/dbraw/zinc/82/26/26/711822626.db2.gz QEOIYNTWHLIBMW-NSHDSACASA-N 1 2 236.319 0.549 20 0 BCADLO CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030037829 711825957 /nfs/dbraw/zinc/82/59/57/711825957.db2.gz BRJGQKTVCCFAKF-KCJUWKMLSA-N 1 2 212.293 0.374 20 0 BCADLO Cc1ccoc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030104232 711826642 /nfs/dbraw/zinc/82/66/42/711826642.db2.gz MRYJFWUBGJCUBY-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](CCCO)C1)C1CC1 ZINC001030191996 711827777 /nfs/dbraw/zinc/82/77/77/711827777.db2.gz TYWKZSZEELQSCS-SECBINFHSA-N 1 2 226.320 0.215 20 0 BCADLO CC[NH+]1CC(NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001030210057 711828055 /nfs/dbraw/zinc/82/80/55/711828055.db2.gz BVYVMWIFBOODTQ-UHFFFAOYSA-N 1 2 222.292 0.081 20 0 BCADLO CC[NH+]1CC(NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001030210057 711828056 /nfs/dbraw/zinc/82/80/56/711828056.db2.gz BVYVMWIFBOODTQ-UHFFFAOYSA-N 1 2 222.292 0.081 20 0 BCADLO CC(C(=O)NC1C[NH+](C[C@H](C)O)C1)=C1CCC1 ZINC001030290624 711830177 /nfs/dbraw/zinc/83/01/77/711830177.db2.gz RAZBDCIIKRNXSZ-VIFPVBQESA-N 1 2 238.331 0.668 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001042434354 711831883 /nfs/dbraw/zinc/83/18/83/711831883.db2.gz IVDNAFHVNDBBIE-ONGXEEELSA-N 1 2 226.320 0.431 20 0 BCADLO C/C=C/C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000914736877 711865134 /nfs/dbraw/zinc/86/51/34/711865134.db2.gz QSZIZLQRNBCXOH-FSIBCCDJSA-N 1 2 212.293 0.399 20 0 BCADLO CNc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)nc[nH+]1 ZINC000131407284 711918847 /nfs/dbraw/zinc/91/88/47/711918847.db2.gz HRCYPZBWQCWAFB-BDAKNGLRSA-N 1 2 249.318 0.609 20 0 BCADLO CNc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)[nH+]cn1 ZINC000131407284 711918848 /nfs/dbraw/zinc/91/88/48/711918848.db2.gz HRCYPZBWQCWAFB-BDAKNGLRSA-N 1 2 249.318 0.609 20 0 BCADLO CNc1cc(N2CCC(CC(N)=O)CC2)nc[nH+]1 ZINC000131414581 711919095 /nfs/dbraw/zinc/91/90/95/711919095.db2.gz YSXCMRYQWYVVBX-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CNc1cc(N2CCC(CC(N)=O)CC2)[nH+]cn1 ZINC000131414581 711919098 /nfs/dbraw/zinc/91/90/98/711919098.db2.gz YSXCMRYQWYVVBX-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(OC(C)=O)CC1 ZINC000153470971 711923287 /nfs/dbraw/zinc/92/32/87/711923287.db2.gz JZFZIYKDLMLVQY-QMMMGPOBSA-N 1 2 229.276 0.575 20 0 BCADLO CNc1nc(N[C@H](C)[C@@H](C)O)[nH+]c2ccccc21 ZINC000450535252 711937919 /nfs/dbraw/zinc/93/79/19/711937919.db2.gz LKYAUWMCWPKRTQ-RKDXNWHRSA-N 1 2 246.314 0.697 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cccc(F)n1 ZINC000700246540 711989040 /nfs/dbraw/zinc/98/90/40/711989040.db2.gz ZHZAHWMMSBURKR-SECBINFHSA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cccc(F)n1 ZINC000700246540 711989041 /nfs/dbraw/zinc/98/90/41/711989041.db2.gz ZHZAHWMMSBURKR-SECBINFHSA-N 1 2 225.267 0.963 20 0 BCADLO COC(C[N@@H+]1CCO[C@H](CCF)C1)OC ZINC000700589518 711999169 /nfs/dbraw/zinc/99/91/69/711999169.db2.gz FPLOMEWZRYJIIP-SECBINFHSA-N 1 2 221.272 0.666 20 0 BCADLO COC(C[N@H+]1CCO[C@H](CCF)C1)OC ZINC000700589518 711999170 /nfs/dbraw/zinc/99/91/70/711999170.db2.gz FPLOMEWZRYJIIP-SECBINFHSA-N 1 2 221.272 0.666 20 0 BCADLO CNc1cc(N2CCC(=O)N(C)CC2)nc[nH+]1 ZINC000701456682 712023580 /nfs/dbraw/zinc/02/35/80/712023580.db2.gz RKVLHJIWDIDLQH-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CNc1cc(N2CCC(=O)N(C)CC2)[nH+]cn1 ZINC000701456682 712023581 /nfs/dbraw/zinc/02/35/81/712023581.db2.gz RKVLHJIWDIDLQH-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CCO[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000701795449 712029567 /nfs/dbraw/zinc/02/95/67/712029567.db2.gz SKTRADHVGCHSSD-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO CCO[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000701795449 712029568 /nfs/dbraw/zinc/02/95/68/712029568.db2.gz SKTRADHVGCHSSD-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO CNc1cc(N(C)CC2(C)COC2)[nH+]cn1 ZINC000702955867 712061897 /nfs/dbraw/zinc/06/18/97/712061897.db2.gz YLXSYCNESVLGHT-UHFFFAOYSA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N(C)CC2(C)COC2)nc[nH+]1 ZINC000702955867 712061894 /nfs/dbraw/zinc/06/18/94/712061894.db2.gz YLXSYCNESVLGHT-UHFFFAOYSA-N 1 2 222.292 0.991 20 0 BCADLO CCc1cnc(C[NH2+][C@@H]2CNOC2)s1 ZINC000703361845 712073397 /nfs/dbraw/zinc/07/33/97/712073397.db2.gz DYXIXZKEXDKUFE-SSDOTTSWSA-N 1 2 213.306 0.699 20 0 BCADLO Cc1cccnc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000703893841 712092641 /nfs/dbraw/zinc/09/26/41/712092641.db2.gz HLOGVADSFISUTP-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO Cc1cccnc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000703893841 712092642 /nfs/dbraw/zinc/09/26/42/712092642.db2.gz HLOGVADSFISUTP-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(Cl)nn1 ZINC000703935019 712095134 /nfs/dbraw/zinc/09/51/34/712095134.db2.gz QWUREEQPXVPHGH-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ccc(Cl)nn1 ZINC000703935019 712095135 /nfs/dbraw/zinc/09/51/35/712095135.db2.gz QWUREEQPXVPHGH-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccc(N)nn1 ZINC000703978203 712098141 /nfs/dbraw/zinc/09/81/41/712098141.db2.gz QCJCQVMOKXNKKS-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO C[C@](O)(C[NH2+]Cc1ncccn1)C(F)(F)F ZINC000705117844 712122651 /nfs/dbraw/zinc/12/26/51/712122651.db2.gz YQVNDBWSGVDOMR-QMMMGPOBSA-N 1 2 235.209 0.880 20 0 BCADLO CNc1cc(N(C)CCn2cccn2)nc[nH+]1 ZINC000707400003 712170307 /nfs/dbraw/zinc/17/03/07/712170307.db2.gz MBVCQJWPNJSKCX-UHFFFAOYSA-N 1 2 232.291 0.851 20 0 BCADLO CNc1cc(N(C)CCn2cccn2)[nH+]cn1 ZINC000707400003 712170308 /nfs/dbraw/zinc/17/03/08/712170308.db2.gz MBVCQJWPNJSKCX-UHFFFAOYSA-N 1 2 232.291 0.851 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC000708410935 712194093 /nfs/dbraw/zinc/19/40/93/712194093.db2.gz LGOUNSUGWFNWGI-UHFFFAOYSA-N 1 2 235.247 0.087 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2cscn2)[C@@H]1CO ZINC000709812043 712228333 /nfs/dbraw/zinc/22/83/33/712228333.db2.gz WYRQTNOMTGUNOD-GXSJLCMTSA-N 1 2 242.344 0.708 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2cscn2)[C@@H]1CO ZINC000709812043 712228335 /nfs/dbraw/zinc/22/83/35/712228335.db2.gz WYRQTNOMTGUNOD-GXSJLCMTSA-N 1 2 242.344 0.708 20 0 BCADLO CC[NH2+]Cc1noc(Cc2cnn(C)c2)n1 ZINC000709865022 712229992 /nfs/dbraw/zinc/22/99/92/712229992.db2.gz IUPSFJSXFKDLHQ-UHFFFAOYSA-N 1 2 221.264 0.503 20 0 BCADLO Cc1nc(N2CC[C@@H](CF)C2)nc(N)[nH+]1 ZINC000711479043 712305422 /nfs/dbraw/zinc/30/54/22/712305422.db2.gz WSKGIXZMJGUUCB-ZETCQYMHSA-N 1 2 211.244 0.558 20 0 BCADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1nccs1 ZINC000711701212 712317924 /nfs/dbraw/zinc/31/79/24/712317924.db2.gz AHMAQAVPCRGDMQ-SFYZADRCSA-N 1 2 246.357 0.666 20 0 BCADLO Cc1nc(N[C@H]2CS(=O)(=O)C[C@H]2C)cc[nH+]1 ZINC000711740327 712321440 /nfs/dbraw/zinc/32/14/40/712321440.db2.gz VBQFDLZBRFNEKA-APPZFPTMSA-N 1 2 241.316 0.630 20 0 BCADLO COC(C)(C)CCNc1nc(C)[nH+]c(N)n1 ZINC000711905943 712337500 /nfs/dbraw/zinc/33/75/00/712337500.db2.gz XSTIJLRYYPLLAE-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO COC(C)(C)CCNc1nc(N)nc(C)[nH+]1 ZINC000711905943 712337501 /nfs/dbraw/zinc/33/75/01/712337501.db2.gz XSTIJLRYYPLLAE-UHFFFAOYSA-N 1 2 225.296 0.989 20 0 BCADLO CC[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC ZINC000379593423 712389766 /nfs/dbraw/zinc/38/97/66/712389766.db2.gz BRWNNMAAYOXNNR-IUCAKERBSA-N 1 2 201.266 0.299 20 0 BCADLO CCCn1cc(C[NH2+]Cc2cnn(C)c2)nn1 ZINC000714507315 712492774 /nfs/dbraw/zinc/49/27/74/712492774.db2.gz KLRSIJPNHFTTKX-UHFFFAOYSA-N 1 2 234.307 0.711 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1cn(CC)nn1 ZINC000714926612 712500320 /nfs/dbraw/zinc/50/03/20/712500320.db2.gz BXYROMNYNASGOS-UHFFFAOYSA-N 1 2 239.323 0.302 20 0 BCADLO Cc1nonc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000715222784 712513983 /nfs/dbraw/zinc/51/39/83/712513983.db2.gz MWLYYXPBNCDOJP-UHFFFAOYSA-N 1 2 245.304 0.043 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715529605 712526055 /nfs/dbraw/zinc/52/60/55/712526055.db2.gz JUUPDBCFPBOMDC-OLQVQODUSA-N 1 2 242.229 0.769 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715529605 712526056 /nfs/dbraw/zinc/52/60/56/712526056.db2.gz JUUPDBCFPBOMDC-OLQVQODUSA-N 1 2 242.229 0.769 20 0 BCADLO CCc1nn(C)cc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715876752 712538350 /nfs/dbraw/zinc/53/83/50/712538350.db2.gz IOVWCNHPARVPQN-VIFPVBQESA-N 1 2 248.334 0.962 20 0 BCADLO CS(=O)(=O)C1CC([NH2+]Cc2cocn2)C1 ZINC000716075734 712549898 /nfs/dbraw/zinc/54/98/98/712549898.db2.gz JLFSKOXNTRSWMA-UHFFFAOYSA-N 1 2 230.289 0.340 20 0 BCADLO CCCOC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000858953150 712617373 /nfs/dbraw/zinc/61/73/73/712617373.db2.gz RSQLALVBYHYCPE-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](O)[C@@H](C)O ZINC000717387766 712653207 /nfs/dbraw/zinc/65/32/07/712653207.db2.gz UGTCLKFKBFJOFD-HTQZYQBOSA-N 1 2 212.249 0.244 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCn2cccc2C1 ZINC000932523563 712717657 /nfs/dbraw/zinc/71/76/57/712717657.db2.gz CXWXOTUVIAQAOF-LBPRGKRZSA-N 1 2 222.288 0.644 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCn2cccc2C1 ZINC000932523563 712717658 /nfs/dbraw/zinc/71/76/58/712717658.db2.gz CXWXOTUVIAQAOF-LBPRGKRZSA-N 1 2 222.288 0.644 20 0 BCADLO NC(=O)C1([NH2+]Cc2ccon2)CCCC1 ZINC000081151629 712729316 /nfs/dbraw/zinc/72/93/16/712729316.db2.gz XGFHNAJEATZENH-UHFFFAOYSA-N 1 2 209.249 0.562 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)Cc1cccc(N)c1 ZINC000037744015 712754731 /nfs/dbraw/zinc/75/47/31/712754731.db2.gz VEIWTXWIKCPNNU-UHFFFAOYSA-N 1 2 242.344 0.745 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(N)c1 ZINC000037744015 712754734 /nfs/dbraw/zinc/75/47/34/712754734.db2.gz VEIWTXWIKCPNNU-UHFFFAOYSA-N 1 2 242.344 0.745 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000718406879 712759469 /nfs/dbraw/zinc/75/94/69/712759469.db2.gz RUXVLOJKYJFYCZ-NXEZZACHSA-N 1 2 212.293 0.185 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000718476244 712766495 /nfs/dbraw/zinc/76/64/95/712766495.db2.gz CRQJAUAZEBJGOF-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO Cc1coc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000718545436 712768894 /nfs/dbraw/zinc/76/88/94/712768894.db2.gz GHRAKYAAZLVOMQ-UHFFFAOYSA-N 1 2 238.287 0.338 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000718560758 712772549 /nfs/dbraw/zinc/77/25/49/712772549.db2.gz UFIYKMOYOYHGEC-SCZZXKLOSA-N 1 2 235.287 0.705 20 0 BCADLO O=C(C[NH2+]Cc1cc[nH]n1)NCc1ccccc1 ZINC000037908643 712785597 /nfs/dbraw/zinc/78/55/97/712785597.db2.gz QDPOVOUNWSZBTE-UHFFFAOYSA-N 1 2 244.298 0.816 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@@H](C)CC1 ZINC000720472553 712845595 /nfs/dbraw/zinc/84/55/95/712845595.db2.gz MBNYPPLZEOPDBN-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@@H](C)CC1 ZINC000720472553 712845598 /nfs/dbraw/zinc/84/55/98/712845598.db2.gz MBNYPPLZEOPDBN-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)C1CC1 ZINC001037979257 712894742 /nfs/dbraw/zinc/89/47/42/712894742.db2.gz BGSASSGNVARCBC-LLVKDONJSA-N 1 2 248.330 0.521 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000649318235 398142851 /nfs/dbraw/zinc/14/28/51/398142851.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000649318235 398142853 /nfs/dbraw/zinc/14/28/53/398142853.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000649318235 398142856 /nfs/dbraw/zinc/14/28/56/398142856.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000649318235 398142858 /nfs/dbraw/zinc/14/28/58/398142858.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000649318235 398142860 /nfs/dbraw/zinc/14/28/60/398142860.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000649318235 398142861 /nfs/dbraw/zinc/14/28/61/398142861.db2.gz FZERVXFJCIWVBE-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)[C@@H](C)CCO ZINC000649863697 398146749 /nfs/dbraw/zinc/14/67/49/398146749.db2.gz MJNDCFRLSPPLHD-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649863697 398146753 /nfs/dbraw/zinc/14/67/53/398146753.db2.gz MJNDCFRLSPPLHD-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO CCC(CC)(NC(=O)c1c[nH+]c(C)[nH]1)C(N)=O ZINC000270128328 168330889 /nfs/dbraw/zinc/33/08/89/168330889.db2.gz SFLIAGPMEWIRFU-UHFFFAOYSA-N 1 2 238.291 0.492 20 0 BCADLO CCC(CC)([NH2+]CCn1cncn1)C(=O)OC ZINC000338353614 168331309 /nfs/dbraw/zinc/33/13/09/168331309.db2.gz SPEQZTJTTJKETH-UHFFFAOYSA-N 1 2 240.307 0.600 20 0 BCADLO O=C(Cc1ccco1)NCCn1cc[nH+]c1 ZINC000268773332 538917695 /nfs/dbraw/zinc/91/76/95/538917695.db2.gz QRHPJYVFOCKTNJ-UHFFFAOYSA-N 1 2 219.244 0.835 20 0 BCADLO Cn1nnnc1NCCCCn1cc[nH+]c1 ZINC000062939243 349502312 /nfs/dbraw/zinc/50/23/12/349502312.db2.gz QCNNLTAQKRNVHV-UHFFFAOYSA-N 1 2 221.268 0.299 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1nncs1 ZINC000299670518 398150739 /nfs/dbraw/zinc/15/07/39/398150739.db2.gz PIAHYHQBMONWAE-UHFFFAOYSA-N 1 2 223.261 0.763 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ncccc1C ZINC000339356740 398155304 /nfs/dbraw/zinc/15/53/04/398155304.db2.gz BLISAXCPWJEXFU-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ncccc1C ZINC000339356740 398155307 /nfs/dbraw/zinc/15/53/07/398155307.db2.gz BLISAXCPWJEXFU-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnn1C ZINC000339407450 398156928 /nfs/dbraw/zinc/15/69/28/398156928.db2.gz MOXDMHNOQFIZKZ-VIFPVBQESA-N 1 2 248.290 0.827 20 0 BCADLO COC(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339764845 398167712 /nfs/dbraw/zinc/16/77/12/398167712.db2.gz VILJBUNKMZCTMG-NEPJUHHUSA-N 1 2 243.303 0.069 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)no1 ZINC000109329877 178028327 /nfs/dbraw/zinc/02/83/27/178028327.db2.gz SGYLRVRKDWXRDT-VIFPVBQESA-N 1 2 225.292 0.973 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000647955286 398171865 /nfs/dbraw/zinc/17/18/65/398171865.db2.gz LMUPHOSJYBLFST-DTORHVGOSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000647955286 398171869 /nfs/dbraw/zinc/17/18/69/398171869.db2.gz LMUPHOSJYBLFST-DTORHVGOSA-N 1 2 210.281 0.456 20 0 BCADLO c1nc(CNCC[NH+]2CCSCC2)co1 ZINC000276955786 398172362 /nfs/dbraw/zinc/17/23/62/398172362.db2.gz CLSUSGJVBZDPQK-UHFFFAOYSA-N 1 2 227.333 0.813 20 0 BCADLO CCc1cc(NCCc2csc(N)n2)nc[nH+]1 ZINC000649365727 398178081 /nfs/dbraw/zinc/17/80/81/398178081.db2.gz ZSPWTSXRHKPXAY-UHFFFAOYSA-N 1 2 249.343 0.985 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)nc1=O ZINC000649906763 398181510 /nfs/dbraw/zinc/18/15/10/398181510.db2.gz CAVACZRWPNUBBX-VIFPVBQESA-N 1 2 244.245 0.340 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@]3(CC3(F)F)C2)nc1=O ZINC000649906763 398181512 /nfs/dbraw/zinc/18/15/12/398181512.db2.gz CAVACZRWPNUBBX-VIFPVBQESA-N 1 2 244.245 0.340 20 0 BCADLO COc1ccc(NC(=O)[C@H]2CSC[NH2+]2)nc1 ZINC000649342925 398160534 /nfs/dbraw/zinc/16/05/34/398160534.db2.gz XJNJIKKOSQBSND-MRVPVSSYSA-N 1 2 239.300 0.691 20 0 BCADLO CC[C@@H](O)[C@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000313114125 398187573 /nfs/dbraw/zinc/18/75/73/398187573.db2.gz LKTQWVMDYUHAFU-VHSXEESVSA-N 1 2 225.292 0.549 20 0 BCADLO Cn1cc(CCC[N@@H+]2CCN(C)C(=O)C2)cn1 ZINC000119390904 398189964 /nfs/dbraw/zinc/18/99/64/398189964.db2.gz ZBIYOXOCYNPJIX-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO Cn1cc(CCC[N@H+]2CCN(C)C(=O)C2)cn1 ZINC000119390904 398189969 /nfs/dbraw/zinc/18/99/69/398189969.db2.gz ZBIYOXOCYNPJIX-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000649387208 398193715 /nfs/dbraw/zinc/19/37/15/398193715.db2.gz SFENZYXULPDKRL-JTQLQIEISA-N 1 2 247.302 0.869 20 0 BCADLO CC[C@H](CO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000649387209 398193863 /nfs/dbraw/zinc/19/38/63/398193863.db2.gz SFENZYXULPDKRL-SNVBAGLBSA-N 1 2 247.302 0.869 20 0 BCADLO Cc1cc(N(CCO)CC2CC2)nc[nH+]1 ZINC000301465526 178102570 /nfs/dbraw/zinc/10/25/70/178102570.db2.gz HMNYHOSOOBEXNB-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO CCN(CC(N)=O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649956268 398196749 /nfs/dbraw/zinc/19/67/49/398196749.db2.gz KIDKSEGPQMMJPH-SECBINFHSA-N 1 2 238.291 0.168 20 0 BCADLO Cc1cc(N)nc(SCc2ncnn2C)[nH+]1 ZINC000116296010 178108972 /nfs/dbraw/zinc/10/89/72/178108972.db2.gz DYCCZQIHAAUUBR-UHFFFAOYSA-N 1 2 236.304 0.788 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)[nH]2)C[C@@H]1OC ZINC000408464409 398198805 /nfs/dbraw/zinc/19/88/05/398198805.db2.gz GEHIZINDWLFZBI-QNSHHTMESA-N 1 2 240.307 0.520 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nnc(C)[nH]2)C[C@@H]1OC ZINC000408464409 398198811 /nfs/dbraw/zinc/19/88/11/398198811.db2.gz GEHIZINDWLFZBI-QNSHHTMESA-N 1 2 240.307 0.520 20 0 BCADLO Cc1cc(N2CCNC(=O)CC2)nc(C2CC2)[nH+]1 ZINC000265406804 178115997 /nfs/dbraw/zinc/11/59/97/178115997.db2.gz ZRXHYHXNXHTGFV-UHFFFAOYSA-N 1 2 246.314 0.989 20 0 BCADLO Cc1cc(N2CC[C@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000264627182 178119056 /nfs/dbraw/zinc/11/90/56/178119056.db2.gz JZGDJDSOQJMBOD-JTQLQIEISA-N 1 2 246.314 0.974 20 0 BCADLO Cc1cc(N2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301279484 178119190 /nfs/dbraw/zinc/11/91/90/178119190.db2.gz STCPPAITTRRCOH-QMMMGPOBSA-N 1 2 206.249 0.097 20 0 BCADLO CC[N@H+](Cc1cn2cccnc2n1)C1COC1 ZINC000451283127 398203899 /nfs/dbraw/zinc/20/38/99/398203899.db2.gz GVFVZWLIWGEWDQ-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO CC[N@@H+](Cc1cn2cccnc2n1)C1COC1 ZINC000451283127 398203902 /nfs/dbraw/zinc/20/39/02/398203902.db2.gz GVFVZWLIWGEWDQ-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CO)on1 ZINC000050115476 178130082 /nfs/dbraw/zinc/13/00/82/178130082.db2.gz RIPNRRWWKIGIOE-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2CO)on1 ZINC000050115476 178130083 /nfs/dbraw/zinc/13/00/83/178130083.db2.gz RIPNRRWWKIGIOE-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000050114655 178131154 /nfs/dbraw/zinc/13/11/54/178131154.db2.gz KQXKCRFSEBHLGW-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CO)no1 ZINC000050114655 178131156 /nfs/dbraw/zinc/13/11/56/178131156.db2.gz KQXKCRFSEBHLGW-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO CC(C)(C)c1nc(N[C@H]2CCCNC2=O)cc[nH+]1 ZINC000649408817 398209717 /nfs/dbraw/zinc/20/97/17/398209717.db2.gz GYDSCFRODXIUHG-VIFPVBQESA-N 1 2 248.330 0.887 20 0 BCADLO CC(C)CN1CC[N@H+](CCO)[C@H](C)C1=O ZINC000426225966 398216921 /nfs/dbraw/zinc/21/69/21/398216921.db2.gz KDZCDVDFZOQHEQ-SNVBAGLBSA-N 1 2 214.309 0.167 20 0 BCADLO CC(C)CN1CC[N@@H+](CCO)[C@H](C)C1=O ZINC000426225966 398216922 /nfs/dbraw/zinc/21/69/22/398216922.db2.gz KDZCDVDFZOQHEQ-SNVBAGLBSA-N 1 2 214.309 0.167 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 ZINC000074695687 178147922 /nfs/dbraw/zinc/14/79/22/178147922.db2.gz SDOUYHCFSSQRGQ-SECBINFHSA-N 1 2 219.244 0.607 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COC(=O)N2)cc[nH+]1 ZINC000294998943 178148873 /nfs/dbraw/zinc/14/88/73/178148873.db2.gz VNKQKPQIZOECDH-MRVPVSSYSA-N 1 2 221.216 0.437 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)nn1C ZINC000300928431 178149105 /nfs/dbraw/zinc/14/91/05/178149105.db2.gz VLRLOWBQJWFCPY-SSDOTTSWSA-N 1 2 226.305 0.330 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2CCOC2(C)C)n1 ZINC000336895573 398218852 /nfs/dbraw/zinc/21/88/52/398218852.db2.gz NBWOOTPTYPDNMQ-QMMMGPOBSA-N 1 2 210.281 0.472 20 0 BCADLO CN(C(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000080596895 398210973 /nfs/dbraw/zinc/21/09/73/398210973.db2.gz XOWAMOFUKCETBJ-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO Cc1cc(NCCCc2nc(=O)[nH][nH]2)nc[nH+]1 ZINC000301560459 178159349 /nfs/dbraw/zinc/15/93/49/178159349.db2.gz UEQCMXNOZRJJQN-UHFFFAOYSA-N 1 2 234.263 0.241 20 0 BCADLO Cc1cc(NCC[NH+]2CCOCC2)ncn1 ZINC000040727089 178161748 /nfs/dbraw/zinc/16/17/48/178161748.db2.gz SSAIQFRRRKRFRN-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)nc[nH+]1 ZINC000301648262 178170452 /nfs/dbraw/zinc/17/04/52/178170452.db2.gz OSPDDYYMPUSKJP-RKDXNWHRSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000301482687 178180003 /nfs/dbraw/zinc/18/00/03/178180003.db2.gz FQWBRQNWNWUQGZ-SECBINFHSA-N 1 2 232.287 0.960 20 0 BCADLO CC[C@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493109442 529374802 /nfs/dbraw/zinc/37/48/02/529374802.db2.gz VXLAHDBZJOXBAY-ZWNMCFTASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040431433 178183229 /nfs/dbraw/zinc/18/32/29/178183229.db2.gz OSHVKSQJEWWQGH-MRVPVSSYSA-N 1 2 227.289 0.384 20 0 BCADLO Cc1cc(N[C@H](CO)[C@@H]2CCCO2)nc[nH+]1 ZINC000309858387 178187066 /nfs/dbraw/zinc/18/70/66/178187066.db2.gz LLJAUJUHCAEABZ-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO CO[C@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000381143006 398227436 /nfs/dbraw/zinc/22/74/36/398227436.db2.gz JTLXIWQHKHVQLH-MRVPVSSYSA-N 1 2 225.296 0.097 20 0 BCADLO CO[C@H](CNc1nc(N)nc(C)[nH+]1)C(C)C ZINC000381143006 398227440 /nfs/dbraw/zinc/22/74/40/398227440.db2.gz JTLXIWQHKHVQLH-MRVPVSSYSA-N 1 2 225.296 0.097 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCSCC1 ZINC000276487922 538932268 /nfs/dbraw/zinc/93/22/68/538932268.db2.gz UABZSBDRGTXWRO-UHFFFAOYSA-N 1 2 225.317 0.918 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCSCC1 ZINC000276487922 538932269 /nfs/dbraw/zinc/93/22/69/538932269.db2.gz UABZSBDRGTXWRO-UHFFFAOYSA-N 1 2 225.317 0.918 20 0 BCADLO CCOCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276682605 538932765 /nfs/dbraw/zinc/93/27/65/538932765.db2.gz WHCPDRKROUZMSG-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO CCOCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276682605 538932768 /nfs/dbraw/zinc/93/27/68/538932768.db2.gz WHCPDRKROUZMSG-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO C[C@H]([NH2+]Cc1nccn1C)[C@@H](O)C(F)(F)F ZINC000631234027 361778476 /nfs/dbraw/zinc/77/84/76/361778476.db2.gz CMQWVFGASLHQGD-POYBYMJQSA-N 1 2 237.225 0.821 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H](O)C(F)(F)F ZINC000631233499 361765809 /nfs/dbraw/zinc/76/58/09/361765809.db2.gz APLISXNCLSGOKZ-HTRCEHHLSA-N 1 2 237.225 0.821 20 0 BCADLO COC[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280486133 538937053 /nfs/dbraw/zinc/93/70/53/538937053.db2.gz FAGIEKWFCZJPKM-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COC[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280486133 538937055 /nfs/dbraw/zinc/93/70/55/538937055.db2.gz FAGIEKWFCZJPKM-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000336775560 398238889 /nfs/dbraw/zinc/23/88/89/398238889.db2.gz ZINJLRVGCNERNI-SECBINFHSA-N 1 2 231.292 0.333 20 0 BCADLO CC(C)[C@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000269731160 187334504 /nfs/dbraw/zinc/33/45/04/187334504.db2.gz XPZIFNMSFJQKHZ-SNVBAGLBSA-N 1 2 239.319 0.786 20 0 BCADLO Cc1cc[nH]c1C(=O)NCCn1cc[nH+]c1 ZINC000280642827 178312685 /nfs/dbraw/zinc/31/26/85/178312685.db2.gz VBRBOZDMUHIEMH-UHFFFAOYSA-N 1 2 218.260 0.950 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000576692795 365658231 /nfs/dbraw/zinc/65/82/31/365658231.db2.gz YKYBJXJCFFPYSG-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO Cn1cnnc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000576692795 365658235 /nfs/dbraw/zinc/65/82/35/365658235.db2.gz YKYBJXJCFFPYSG-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO COC1(CC(=O)NCc2c[nH+]cn2C)CCC1 ZINC000290944021 538947074 /nfs/dbraw/zinc/94/70/74/538947074.db2.gz AHZFXEPAGVVURS-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO Cc1cc(N)nc(SCC(C)(CO)CO)[nH+]1 ZINC000381509611 398254361 /nfs/dbraw/zinc/25/43/61/398254361.db2.gz VMFAAMSEHHFEMR-UHFFFAOYSA-N 1 2 243.332 0.281 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1c[nH+]cn1C ZINC000291320042 538947253 /nfs/dbraw/zinc/94/72/53/538947253.db2.gz UPXCIWSDPVJFGF-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COCC1CC1 ZINC000291340183 538947518 /nfs/dbraw/zinc/94/75/18/538947518.db2.gz WMCKBLNYGSHVEK-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO COC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000291277096 538947383 /nfs/dbraw/zinc/94/73/83/538947383.db2.gz QPKVKILXUCUHRB-UHFFFAOYSA-N 1 2 223.276 0.605 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(=O)N[C@@H](C)C2)[nH+]1 ZINC000649459033 398262031 /nfs/dbraw/zinc/26/20/31/398262031.db2.gz DRZZAFPEDDHABY-ZETCQYMHSA-N 1 2 245.286 0.591 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccco1 ZINC000291455819 538948140 /nfs/dbraw/zinc/94/81/40/538948140.db2.gz NNKYLQRVZSLKIJ-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](OC)C1CCOCC1 ZINC000602443100 349543781 /nfs/dbraw/zinc/54/37/81/349543781.db2.gz QSNXSALFWUYOPJ-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](OC)C1CCOCC1 ZINC000602443100 349543785 /nfs/dbraw/zinc/54/37/85/349543785.db2.gz QSNXSALFWUYOPJ-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1c[nH+]cn1C ZINC000291402272 538947825 /nfs/dbraw/zinc/94/78/25/538947825.db2.gz IUABVCWDCOKDFR-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2ccnn2C)CCO1 ZINC000626176414 346820311 /nfs/dbraw/zinc/82/03/11/346820311.db2.gz NENGVQDQCRXVPQ-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2ccnn2C)CCO1 ZINC000626176414 346820315 /nfs/dbraw/zinc/82/03/15/346820315.db2.gz NENGVQDQCRXVPQ-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COC(=O)C[N@H+](C[C@@]1(OC)CCOC1)C1CC1 ZINC000602484403 349566407 /nfs/dbraw/zinc/56/64/07/349566407.db2.gz LJKJBAGLSUNAIT-LBPRGKRZSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@@H+](C[C@@]1(OC)CCOC1)C1CC1 ZINC000602484403 349566409 /nfs/dbraw/zinc/56/64/09/349566409.db2.gz LJKJBAGLSUNAIT-LBPRGKRZSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1CN(CC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177278030 538951731 /nfs/dbraw/zinc/95/17/31/538951731.db2.gz RMDNSJGBMRDWOV-ZJUUUORDSA-N 1 2 234.290 0.904 20 0 BCADLO Cc1nnc(NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000083119611 349570485 /nfs/dbraw/zinc/57/04/85/349570485.db2.gz CWMLVMMGHJHNLO-VIFPVBQESA-N 1 2 241.364 0.504 20 0 BCADLO Cc1nnc(NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000083119611 349570488 /nfs/dbraw/zinc/57/04/88/349570488.db2.gz CWMLVMMGHJHNLO-VIFPVBQESA-N 1 2 241.364 0.504 20 0 BCADLO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)OC ZINC000171632478 346831598 /nfs/dbraw/zinc/83/15/98/346831598.db2.gz ANJFAFFQVMTMPZ-DTWKUNHWSA-N 1 2 238.291 0.134 20 0 BCADLO Cc1cc(N2CCN(C3COC3)CC2)nc[nH+]1 ZINC000204830932 538954452 /nfs/dbraw/zinc/95/44/52/538954452.db2.gz YLOVKUYIQSVFJK-UHFFFAOYSA-N 1 2 234.303 0.306 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000179333397 538954715 /nfs/dbraw/zinc/95/47/15/538954715.db2.gz BTDMABAXFMPKKJ-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468945 398268114 /nfs/dbraw/zinc/26/81/14/398268114.db2.gz PJDRROVRUFVCHR-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000179333397 538954716 /nfs/dbraw/zinc/95/47/16/538954716.db2.gz BTDMABAXFMPKKJ-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468945 398268116 /nfs/dbraw/zinc/26/81/16/398268116.db2.gz PJDRROVRUFVCHR-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO CCc1nn(C)cc1C[N@H+](CC(N)=O)C(C)C ZINC000179579726 538955485 /nfs/dbraw/zinc/95/54/85/538955485.db2.gz QUIRVZHTTZIKEY-UHFFFAOYSA-N 1 2 238.335 0.678 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](CC(N)=O)C(C)C ZINC000179579726 538955486 /nfs/dbraw/zinc/95/54/86/538955486.db2.gz QUIRVZHTTZIKEY-UHFFFAOYSA-N 1 2 238.335 0.678 20 0 BCADLO CCC[C@@](C)([NH2+]CCOC)C(=O)OC ZINC000053258272 346848919 /nfs/dbraw/zinc/84/89/19/346848919.db2.gz GAMHYACWBXGBES-SNVBAGLBSA-N 1 2 203.282 0.954 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000180585548 538958442 /nfs/dbraw/zinc/95/84/42/538958442.db2.gz YYBFXWXGLKWRAT-WCBMZHEXSA-N 1 2 236.319 0.990 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cncnc1 ZINC000179725329 538956077 /nfs/dbraw/zinc/95/60/77/538956077.db2.gz MIFSAEMOFDWCHV-UHFFFAOYSA-N 1 2 222.292 0.433 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cncnc1 ZINC000179725329 538956078 /nfs/dbraw/zinc/95/60/78/538956078.db2.gz MIFSAEMOFDWCHV-UHFFFAOYSA-N 1 2 222.292 0.433 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1Cc1ncccc1O ZINC000561950877 323009131 /nfs/dbraw/zinc/00/91/31/323009131.db2.gz YQHCYFRALMXGRV-JTQLQIEISA-N 1 2 221.304 0.923 20 0 BCADLO CC[N@H+](Cc1csnn1)[C@H](C)CO ZINC000308294083 346855359 /nfs/dbraw/zinc/85/53/59/346855359.db2.gz QKDZZDBHMOUVTO-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1csnn1)[C@H](C)CO ZINC000308294083 346855364 /nfs/dbraw/zinc/85/53/64/346855364.db2.gz QKDZZDBHMOUVTO-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CCn1cc[nH+]c1CNCC(F)(F)CO ZINC000231777433 342693011 /nfs/dbraw/zinc/69/30/11/342693011.db2.gz LJVUEJIHHNWJJJ-UHFFFAOYSA-N 1 2 219.235 0.620 20 0 BCADLO CCNC(=O)CCC(=O)Nc1cc[nH+]cc1C ZINC000600180529 342697217 /nfs/dbraw/zinc/69/72/17/342697217.db2.gz KLPYDISGMOGJIN-UHFFFAOYSA-N 1 2 235.287 0.667 20 0 BCADLO CC(C)(C)c1nc(N[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000649479411 398277005 /nfs/dbraw/zinc/27/70/05/398277005.db2.gz UESDWQKSJJKBTB-RKDXNWHRSA-N 1 2 237.303 0.368 20 0 BCADLO CCc1n[nH]cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600217987 342713450 /nfs/dbraw/zinc/71/34/50/342713450.db2.gz BAFIHXYPTHSHJD-UHFFFAOYSA-N 1 2 233.275 0.967 20 0 BCADLO C[C@@H]1C[N@H+](CC2=CCCOC2)CC[S@@]1=O ZINC000335108848 398277524 /nfs/dbraw/zinc/27/75/24/398277524.db2.gz DQLJDTQFVLONNG-BMIGLBTASA-N 1 2 229.345 0.786 20 0 BCADLO C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[S@@]1=O ZINC000335108848 398277527 /nfs/dbraw/zinc/27/75/27/398277527.db2.gz DQLJDTQFVLONNG-BMIGLBTASA-N 1 2 229.345 0.786 20 0 BCADLO Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000166036178 361847469 /nfs/dbraw/zinc/84/74/69/361847469.db2.gz VVDCQJSCCFCMPJ-NXEZZACHSA-N 1 2 207.277 0.992 20 0 BCADLO O=C(NCc1nc[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000345669091 398279140 /nfs/dbraw/zinc/27/91/40/398279140.db2.gz DKWMKLMYSWXDML-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO CN(C)c1ncc(C[NH2+]Cc2ccno2)cn1 ZINC000583934912 342728348 /nfs/dbraw/zinc/72/83/48/342728348.db2.gz AUBULYQIUVTOPF-UHFFFAOYSA-N 1 2 233.275 0.820 20 0 BCADLO C[C@@](O)(CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000583953284 342753955 /nfs/dbraw/zinc/75/39/55/342753955.db2.gz KJJOONGFGZYDOK-GFCCVEGCSA-N 1 2 237.303 0.620 20 0 BCADLO C[N@H+](CCO)Cc1cc2n(n1)CCCC2 ZINC000649484691 398281931 /nfs/dbraw/zinc/28/19/31/398281931.db2.gz IXGFAZIBJWYZPG-UHFFFAOYSA-N 1 2 209.293 0.644 20 0 BCADLO C[N@@H+](CCO)Cc1cc2n(n1)CCCC2 ZINC000649484691 398281934 /nfs/dbraw/zinc/28/19/34/398281934.db2.gz IXGFAZIBJWYZPG-UHFFFAOYSA-N 1 2 209.293 0.644 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H]2CCC(=O)N2)no1 ZINC000649486367 398281947 /nfs/dbraw/zinc/28/19/47/398281947.db2.gz JJPTZSPPEULQFH-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCC(=O)N2)no1 ZINC000649486367 398281949 /nfs/dbraw/zinc/28/19/49/398281949.db2.gz JJPTZSPPEULQFH-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000054677689 398282243 /nfs/dbraw/zinc/28/22/43/398282243.db2.gz YENVBHGRVHEAFL-QMMMGPOBSA-N 1 2 224.264 0.043 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000054677689 398282245 /nfs/dbraw/zinc/28/22/45/398282245.db2.gz YENVBHGRVHEAFL-QMMMGPOBSA-N 1 2 224.264 0.043 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751397 398286908 /nfs/dbraw/zinc/28/69/08/398286908.db2.gz QCCVQVCYDBYIMN-NKWVEPMBSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751397 398286910 /nfs/dbraw/zinc/28/69/10/398286910.db2.gz QCCVQVCYDBYIMN-NKWVEPMBSA-N 1 2 222.235 0.216 20 0 BCADLO Cn1ncc(C2CC2)c1C[NH+]1CC(C)(O)C1 ZINC000639254027 398285357 /nfs/dbraw/zinc/28/53/57/398285357.db2.gz XFTJPARAFCJDKO-UHFFFAOYSA-N 1 2 221.304 0.864 20 0 BCADLO CCOC(=O)C[N@H+](CC(=O)NC)C(C)(C)C ZINC000130788974 323012080 /nfs/dbraw/zinc/01/20/80/323012080.db2.gz WEHCCSFKJFPDSN-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3CCOC[C@H]3C2)cn1 ZINC000348764006 136238256 /nfs/dbraw/zinc/23/82/56/136238256.db2.gz OJWBTCICAGHVPE-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3CCOC[C@H]3C2)cn1 ZINC000348764006 136238257 /nfs/dbraw/zinc/23/82/57/136238257.db2.gz OJWBTCICAGHVPE-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO CCOC(=O)C[N@@H+](CC(=O)NC)C(C)(C)C ZINC000130788974 323012081 /nfs/dbraw/zinc/01/20/81/323012081.db2.gz WEHCCSFKJFPDSN-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000624541362 344003594 /nfs/dbraw/zinc/00/35/94/344003594.db2.gz FHGCQSVCRCRJGP-URHBZAFASA-N 1 2 241.682 0.388 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000624541362 344003596 /nfs/dbraw/zinc/00/35/96/344003596.db2.gz FHGCQSVCRCRJGP-URHBZAFASA-N 1 2 241.682 0.388 20 0 BCADLO CO[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000624724298 342822320 /nfs/dbraw/zinc/82/23/20/342822320.db2.gz BWJBWAUWQTYFET-ZKCHVHJHSA-N 1 2 233.275 0.953 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](OC)C1 ZINC000624726186 342822453 /nfs/dbraw/zinc/82/24/53/342822453.db2.gz KWBANAUNBFTGJE-LJGSYFOKSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](OC)C1 ZINC000624726186 342822454 /nfs/dbraw/zinc/82/24/54/342822454.db2.gz KWBANAUNBFTGJE-LJGSYFOKSA-N 1 2 224.264 0.657 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC=CCC1 ZINC000624728515 342823305 /nfs/dbraw/zinc/82/33/05/342823305.db2.gz AFEFMPAFPAIZQA-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC=CCC1 ZINC000624728515 342823307 /nfs/dbraw/zinc/82/33/07/342823307.db2.gz AFEFMPAFPAIZQA-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO CC[C@@H]1CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624732315 342823590 /nfs/dbraw/zinc/82/35/90/342823590.db2.gz OSNFXOMDSXTTFV-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@@H]1CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732315 342823591 /nfs/dbraw/zinc/82/35/91/342823591.db2.gz OSNFXOMDSXTTFV-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CN(CC1CC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624735212 342824275 /nfs/dbraw/zinc/82/42/75/342824275.db2.gz IHFOGHAORJPPDI-LLVKDONJSA-N 1 2 241.335 0.368 20 0 BCADLO CN(CC1CC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624735212 342824276 /nfs/dbraw/zinc/82/42/76/342824276.db2.gz IHFOGHAORJPPDI-LLVKDONJSA-N 1 2 241.335 0.368 20 0 BCADLO CN(CC1CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624735215 342824367 /nfs/dbraw/zinc/82/43/67/342824367.db2.gz IHFOGHAORJPPDI-NSHDSACASA-N 1 2 241.335 0.368 20 0 BCADLO CN(CC1CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624735215 342824368 /nfs/dbraw/zinc/82/43/68/342824368.db2.gz IHFOGHAORJPPDI-NSHDSACASA-N 1 2 241.335 0.368 20 0 BCADLO CCCCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624742295 342824571 /nfs/dbraw/zinc/82/45/71/342824571.db2.gz HNJRTOGNDFQSQB-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCCCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624742295 342824572 /nfs/dbraw/zinc/82/45/72/342824572.db2.gz HNJRTOGNDFQSQB-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010093745 342833512 /nfs/dbraw/zinc/83/35/12/342833512.db2.gz WIZPSPPBBWAHHU-UHFFFAOYSA-N 1 2 210.302 0.852 20 0 BCADLO CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010093745 342833514 /nfs/dbraw/zinc/83/35/14/342833514.db2.gz WIZPSPPBBWAHHU-UHFFFAOYSA-N 1 2 210.302 0.852 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(C)n1 ZINC000380202103 538987587 /nfs/dbraw/zinc/98/75/87/538987587.db2.gz HKDJHLBOOOMIGZ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@H](CO)O1 ZINC000191521729 538992355 /nfs/dbraw/zinc/99/23/55/538992355.db2.gz SCCZFILLBJTULP-GXSJLCMTSA-N 1 2 223.276 0.058 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@H](CO)O1 ZINC000191521729 538992356 /nfs/dbraw/zinc/99/23/56/538992356.db2.gz SCCZFILLBJTULP-GXSJLCMTSA-N 1 2 223.276 0.058 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1O ZINC000634414339 361933695 /nfs/dbraw/zinc/93/36/95/361933695.db2.gz WKRGFNOZIALCNR-IUCAKERBSA-N 1 2 223.276 0.372 20 0 BCADLO CCN(CCO)CC[NH2+]Cc1nccs1 ZINC000379919896 538981667 /nfs/dbraw/zinc/98/16/67/538981667.db2.gz GPFOTEYSXWRVEX-UHFFFAOYSA-N 1 2 229.349 0.547 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@@H]1O ZINC000400096696 529398290 /nfs/dbraw/zinc/39/82/90/529398290.db2.gz XQXZDPCYZUJEDA-BDAKNGLRSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@@H]1O ZINC000400096696 529398291 /nfs/dbraw/zinc/39/82/91/529398291.db2.gz XQXZDPCYZUJEDA-BDAKNGLRSA-N 1 2 210.281 0.316 20 0 BCADLO CCc1noc(C[NH2+]C(C)(C)CC(N)=O)n1 ZINC000381785185 539007069 /nfs/dbraw/zinc/00/70/69/539007069.db2.gz YQNFDWQWCYFTMS-UHFFFAOYSA-N 1 2 226.280 0.376 20 0 BCADLO C[C@@H]([NH2+]CCn1ccccc1=O)c1ncn(C)n1 ZINC000391910048 539027856 /nfs/dbraw/zinc/02/78/56/539027856.db2.gz CKJURKAMVZPPKU-SNVBAGLBSA-N 1 2 247.302 0.328 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000387918605 539014527 /nfs/dbraw/zinc/01/45/27/539014527.db2.gz OQTFVYSIUYQDQH-VHSXEESVSA-N 1 2 239.323 0.286 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000387918605 539014528 /nfs/dbraw/zinc/01/45/28/539014528.db2.gz OQTFVYSIUYQDQH-VHSXEESVSA-N 1 2 239.323 0.286 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ncccc2O)C[C@H]1C ZINC000104144593 539014908 /nfs/dbraw/zinc/01/49/08/539014908.db2.gz RHOKODPHWVLKBO-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ncccc2O)C[C@H]1C ZINC000104144593 539014910 /nfs/dbraw/zinc/01/49/10/539014910.db2.gz RHOKODPHWVLKBO-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1C ZINC000189268990 346866008 /nfs/dbraw/zinc/86/60/08/346866008.db2.gz BWRMYWPWDZGEEX-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1C ZINC000189268990 346866010 /nfs/dbraw/zinc/86/60/10/346866010.db2.gz BWRMYWPWDZGEEX-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(CC)CC1 ZINC000042243122 361975419 /nfs/dbraw/zinc/97/54/19/361975419.db2.gz VZFCLNWIBVCYTI-LBPRGKRZSA-N 1 2 241.379 0.881 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC1=O ZINC000562306950 323015726 /nfs/dbraw/zinc/01/57/26/323015726.db2.gz SSSXBKHHOUALKG-SECBINFHSA-N 1 2 221.260 0.369 20 0 BCADLO CC(C)[C@H](O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754899 361993649 /nfs/dbraw/zinc/99/36/49/361993649.db2.gz SEGUTUSGMGXKRH-SNVBAGLBSA-N 1 2 235.291 0.609 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000335645127 136243472 /nfs/dbraw/zinc/24/34/72/136243472.db2.gz ACLWPAHEAFKLFL-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000335645127 136243473 /nfs/dbraw/zinc/24/34/73/136243473.db2.gz ACLWPAHEAFKLFL-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000335645123 136243546 /nfs/dbraw/zinc/24/35/46/136243546.db2.gz ABSPENIHJBQIOO-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000335645123 136243547 /nfs/dbraw/zinc/24/35/47/136243547.db2.gz ABSPENIHJBQIOO-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625086775 342849256 /nfs/dbraw/zinc/84/92/56/342849256.db2.gz RBKLKYYGVDWESI-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625086775 342849257 /nfs/dbraw/zinc/84/92/57/342849257.db2.gz RBKLKYYGVDWESI-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO CC[C@H](CCO)Nc1nc(C)[nH+]c(N)n1 ZINC000389374771 398311201 /nfs/dbraw/zinc/31/12/01/398311201.db2.gz NTQXVPQCKJVSIK-SSDOTTSWSA-N 1 2 211.269 0.165 20 0 BCADLO CC[C@H](CCO)Nc1nc(N)nc(C)[nH+]1 ZINC000389374771 398311202 /nfs/dbraw/zinc/31/12/02/398311202.db2.gz NTQXVPQCKJVSIK-SSDOTTSWSA-N 1 2 211.269 0.165 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)o1 ZINC000092735252 398305347 /nfs/dbraw/zinc/30/53/47/398305347.db2.gz NRIFNJQNWKTRDL-LLVKDONJSA-N 1 2 238.287 0.528 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)o1 ZINC000092735252 398305351 /nfs/dbraw/zinc/30/53/51/398305351.db2.gz NRIFNJQNWKTRDL-LLVKDONJSA-N 1 2 238.287 0.528 20 0 BCADLO CCc1cc(NCCNC(=O)C2CC2)nc[nH+]1 ZINC000134587239 342871197 /nfs/dbraw/zinc/87/11/97/342871197.db2.gz FZZUUQJBBJRRNJ-UHFFFAOYSA-N 1 2 234.303 0.977 20 0 BCADLO CC(C)(O)C(=O)NCCCCn1cc[nH+]c1 ZINC000232563605 342857548 /nfs/dbraw/zinc/85/75/48/342857548.db2.gz XOGRQKLFEDUSLD-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CC[NH+]1CCN(C(=O)c2nonc2C)CC1 ZINC000074703224 344008213 /nfs/dbraw/zinc/00/82/13/344008213.db2.gz ZCJHQIBHUQWHKK-UHFFFAOYSA-N 1 2 224.264 0.156 20 0 BCADLO CCCn1cc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000584301718 398320872 /nfs/dbraw/zinc/32/08/72/398320872.db2.gz BREXFRRWAVWGKG-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1cc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000584301718 398320875 /nfs/dbraw/zinc/32/08/75/398320875.db2.gz BREXFRRWAVWGKG-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(Cc2cnns2)CC1 ZINC000625141391 342889503 /nfs/dbraw/zinc/88/95/03/342889503.db2.gz YVTWSIZEIPNABU-SECBINFHSA-N 1 2 242.348 0.037 20 0 BCADLO C[C@H]1CCN(S(=O)(=O)NCc2[nH]cc[nH+]2)C1 ZINC000632143298 342893589 /nfs/dbraw/zinc/89/35/89/342893589.db2.gz SAABRBVHHKUUKL-QMMMGPOBSA-N 1 2 244.320 0.086 20 0 BCADLO COC(C)(C)CC(=O)NCCc1c[nH+]cn1C ZINC000562372215 323018375 /nfs/dbraw/zinc/01/83/75/323018375.db2.gz CKBDNNCZAWCGCV-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ncccc2Cl)C1 ZINC000625205587 342911017 /nfs/dbraw/zinc/91/10/17/342911017.db2.gz QUMHFPMCJRHCOE-DTORHVGOSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ncccc2Cl)C1 ZINC000625205587 342911018 /nfs/dbraw/zinc/91/10/18/342911018.db2.gz QUMHFPMCJRHCOE-DTORHVGOSA-N 1 2 242.706 0.663 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352660851 398323150 /nfs/dbraw/zinc/32/31/50/398323150.db2.gz PQZWOIGKBWJZBO-NXEZZACHSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352660851 398323152 /nfs/dbraw/zinc/32/31/52/398323152.db2.gz PQZWOIGKBWJZBO-NXEZZACHSA-N 1 2 239.323 0.599 20 0 BCADLO Cc1cc(-n2c[nH+]c(CCCO)c2)ncn1 ZINC000602621476 349641393 /nfs/dbraw/zinc/64/13/93/349641393.db2.gz HBQZPAVGGJWIPI-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000045784574 342923258 /nfs/dbraw/zinc/92/32/58/342923258.db2.gz XJNUXQKZLZBLFP-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000045784574 342923259 /nfs/dbraw/zinc/92/32/59/342923259.db2.gz XJNUXQKZLZBLFP-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000045784577 342923346 /nfs/dbraw/zinc/92/33/46/342923346.db2.gz XJNUXQKZLZBLFP-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000045784577 342923347 /nfs/dbraw/zinc/92/33/47/342923347.db2.gz XJNUXQKZLZBLFP-MNOVXSKESA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)(O)C(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000393539360 259328557 /nfs/dbraw/zinc/32/85/57/259328557.db2.gz QYFPRCUEVIXZDE-UHFFFAOYSA-N 1 2 239.319 0.796 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000625218924 342918911 /nfs/dbraw/zinc/91/89/11/342918911.db2.gz RLHZJGIASDIVRX-QMMMGPOBSA-N 1 2 245.373 0.838 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1cnns1 ZINC000625218924 342918912 /nfs/dbraw/zinc/91/89/12/342918912.db2.gz RLHZJGIASDIVRX-QMMMGPOBSA-N 1 2 245.373 0.838 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000602632608 349649006 /nfs/dbraw/zinc/64/90/06/349649006.db2.gz CUMOILMWEPHALY-LPEHRKFASA-N 1 2 242.319 0.585 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000602633316 349649764 /nfs/dbraw/zinc/64/97/64/349649764.db2.gz GZWQWVCGTFULIP-IUCAKERBSA-N 1 2 223.276 0.559 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000602633326 349649885 /nfs/dbraw/zinc/64/98/85/349649885.db2.gz HERCKPLIUINHJF-ONGXEEELSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000227790424 536638118 /nfs/dbraw/zinc/63/81/18/536638118.db2.gz YTVSLZVAWYPXIB-XHNCKOQMSA-N 1 2 215.293 0.951 20 0 BCADLO CC(C)(C)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634588061 342933982 /nfs/dbraw/zinc/93/39/82/342933982.db2.gz IDYWWEGMECZYQZ-QMMMGPOBSA-N 1 2 209.293 0.840 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000602639642 349652850 /nfs/dbraw/zinc/65/28/50/349652850.db2.gz XNTWZDQYFNNCBV-MRVPVSSYSA-N 1 2 248.286 0.903 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000602639642 349652852 /nfs/dbraw/zinc/65/28/52/349652852.db2.gz XNTWZDQYFNNCBV-MRVPVSSYSA-N 1 2 248.286 0.903 20 0 BCADLO C[C@H]1CC[C@H]([N@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651282 136249482 /nfs/dbraw/zinc/24/94/82/136249482.db2.gz QRZBICDREMEOCQ-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651282 136249483 /nfs/dbraw/zinc/24/94/83/136249483.db2.gz QRZBICDREMEOCQ-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000602643641 349656053 /nfs/dbraw/zinc/65/60/53/349656053.db2.gz GZECPEOPHGJYKB-KXUCPTDWSA-N 1 2 231.292 0.189 20 0 BCADLO Cn1nncc1C[N@H+](C)CCn1cccn1 ZINC000125244344 398339317 /nfs/dbraw/zinc/33/93/17/398339317.db2.gz UDLBGTUPHFZEPU-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1nncc1C[N@@H+](C)CCn1cccn1 ZINC000125244344 398339318 /nfs/dbraw/zinc/33/93/18/398339318.db2.gz UDLBGTUPHFZEPU-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCC(=O)NC(C)C ZINC000120941974 398337470 /nfs/dbraw/zinc/33/74/70/398337470.db2.gz NHUSLNUMJDABNC-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cn1ncc(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000289511550 398337806 /nfs/dbraw/zinc/33/78/06/398337806.db2.gz ANGGVHRNJZBDMF-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1ncc(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000289511550 398337807 /nfs/dbraw/zinc/33/78/07/398337807.db2.gz ANGGVHRNJZBDMF-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246323165 398330717 /nfs/dbraw/zinc/33/07/17/398330717.db2.gz AEZARXYURKRZIF-KXUCPTDWSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246323165 398330719 /nfs/dbraw/zinc/33/07/19/398330719.db2.gz AEZARXYURKRZIF-KXUCPTDWSA-N 1 2 227.308 0.025 20 0 BCADLO Cc1ncc(C[N@@H+]2CCSC[C@H]2CO)cn1 ZINC000351729531 136250046 /nfs/dbraw/zinc/25/00/46/136250046.db2.gz GQNJXNMPWKDVHR-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ncc(C[N@H+]2CCSC[C@H]2CO)cn1 ZINC000351729531 136250047 /nfs/dbraw/zinc/25/00/47/136250047.db2.gz GQNJXNMPWKDVHR-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO CC[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)[C@H](C)O ZINC000493810978 529457853 /nfs/dbraw/zinc/45/78/53/529457853.db2.gz AILPWZHRIUMEEL-NSVKDGAOSA-N 1 2 223.276 0.699 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000355199078 398331837 /nfs/dbraw/zinc/33/18/37/398331837.db2.gz OEBDVHMMZKQLFW-VIFPVBQESA-N 1 2 208.265 0.038 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000355199078 398331839 /nfs/dbraw/zinc/33/18/39/398331839.db2.gz OEBDVHMMZKQLFW-VIFPVBQESA-N 1 2 208.265 0.038 20 0 BCADLO FC(F)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111209744 398332061 /nfs/dbraw/zinc/33/20/61/398332061.db2.gz MZEVABXIRFFLPZ-UHFFFAOYSA-N 1 2 230.262 0.792 20 0 BCADLO CCc1nnc(CNc2cc(CC)[nH+]cn2)[nH]1 ZINC000392525027 398333442 /nfs/dbraw/zinc/33/34/42/398333442.db2.gz KRCNIMJYFUDFEC-UHFFFAOYSA-N 1 2 232.291 0.754 20 0 BCADLO O=c1c2c([nH]n1CC1CCCC1)CC[NH2+]C2 ZINC000634591519 342941986 /nfs/dbraw/zinc/94/19/86/342941986.db2.gz GKWAGOWHDUKTKX-JTQLQIEISA-N 1 2 221.304 0.984 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC=CC1 ZINC000636746359 349678292 /nfs/dbraw/zinc/67/82/92/349678292.db2.gz INIJASDZAUFFOE-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC=CC1 ZINC000636746359 349678297 /nfs/dbraw/zinc/67/82/97/349678297.db2.gz INIJASDZAUFFOE-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000051886806 398345264 /nfs/dbraw/zinc/34/52/64/398345264.db2.gz UHDZMDMDAFPSOV-QMMMGPOBSA-N 1 2 229.711 0.888 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](CO)C1 ZINC000051886806 398345265 /nfs/dbraw/zinc/34/52/65/398345265.db2.gz UHDZMDMDAFPSOV-QMMMGPOBSA-N 1 2 229.711 0.888 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2snnc2C)C1 ZINC000602693958 349690935 /nfs/dbraw/zinc/69/09/35/349690935.db2.gz WPHLOTCDOGLKJA-UHFFFAOYSA-N 1 2 241.316 0.841 20 0 BCADLO CC[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492986835 529511059 /nfs/dbraw/zinc/51/10/59/529511059.db2.gz RLICLBNADXPPCS-VEMNSZJBSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCF ZINC000134737136 323025555 /nfs/dbraw/zinc/02/55/55/323025555.db2.gz WVHAQGYDMDJCRM-SECBINFHSA-N 1 2 228.271 0.930 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351815234 136255338 /nfs/dbraw/zinc/25/53/38/136255338.db2.gz VSIRILQWARKHOO-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351815234 136255339 /nfs/dbraw/zinc/25/53/39/136255339.db2.gz VSIRILQWARKHOO-MWLCHTKSSA-N 1 2 238.335 0.809 20 0 BCADLO COC1CC([N@H+](C)Cc2ncnn2C)C1 ZINC000352218989 536719108 /nfs/dbraw/zinc/71/91/08/536719108.db2.gz ATNNPYVRIQMNQW-UHFFFAOYSA-N 1 2 210.281 0.424 20 0 BCADLO COC1CC([N@@H+](C)Cc2ncnn2C)C1 ZINC000352218989 536719112 /nfs/dbraw/zinc/71/91/12/536719112.db2.gz ATNNPYVRIQMNQW-UHFFFAOYSA-N 1 2 210.281 0.424 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@](C)(O)C1 ZINC000493321509 529552441 /nfs/dbraw/zinc/55/24/41/529552441.db2.gz MFOHKEVGIIBJFE-IHVVCDCBSA-N 1 2 249.314 0.900 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(CO)C1 ZINC000492649739 529556925 /nfs/dbraw/zinc/55/69/25/529556925.db2.gz PYXIKGPYDOLZNV-ARJAWSKDSA-N 1 2 235.287 0.367 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627369403 346908421 /nfs/dbraw/zinc/90/84/21/346908421.db2.gz SDRNHRSBPLDOEL-LBPRGKRZSA-N 1 2 237.303 0.846 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627369403 346908425 /nfs/dbraw/zinc/90/84/25/346908425.db2.gz SDRNHRSBPLDOEL-LBPRGKRZSA-N 1 2 237.303 0.846 20 0 BCADLO Cc1cc(N(C)C[C@H](O)CO)nc(C(C)C)[nH+]1 ZINC000354836895 187211645 /nfs/dbraw/zinc/21/16/45/187211645.db2.gz BGYCHXOEXLGDHL-JTQLQIEISA-N 1 2 239.319 0.698 20 0 BCADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(=O)OC ZINC000493331321 529573183 /nfs/dbraw/zinc/57/31/83/529573183.db2.gz ZIGBVIQAOHXWQW-PULIVWKDSA-N 1 2 237.259 0.491 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602766494 349722409 /nfs/dbraw/zinc/72/24/09/349722409.db2.gz LZWWYOAFTMJMBQ-CMPLNLGQSA-N 1 2 245.319 0.003 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602766494 349722412 /nfs/dbraw/zinc/72/24/12/349722412.db2.gz LZWWYOAFTMJMBQ-CMPLNLGQSA-N 1 2 245.319 0.003 20 0 BCADLO CCCC[N@H+](CCN(C#N)CC)CC(N)=O ZINC000602766705 349722770 /nfs/dbraw/zinc/72/27/70/349722770.db2.gz RORCXCNHKCLUHE-UHFFFAOYSA-N 1 2 226.324 0.377 20 0 BCADLO CCCC[N@@H+](CCN(C#N)CC)CC(N)=O ZINC000602766705 349722771 /nfs/dbraw/zinc/72/27/71/349722771.db2.gz RORCXCNHKCLUHE-UHFFFAOYSA-N 1 2 226.324 0.377 20 0 BCADLO CCOC(=O)c1cc(C[NH2+]C2(C)COC2)on1 ZINC000602740975 349709851 /nfs/dbraw/zinc/70/98/51/349709851.db2.gz SYNXOCGEGBHVSK-UHFFFAOYSA-N 1 2 240.259 0.730 20 0 BCADLO CSCCNC(=O)NCCn1cc[nH+]c1 ZINC000608791770 342982327 /nfs/dbraw/zinc/98/23/27/342982327.db2.gz SCKDAJRXZPCELC-UHFFFAOYSA-N 1 2 228.321 0.545 20 0 BCADLO CCn1ccnc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493435140 529570293 /nfs/dbraw/zinc/57/02/93/529570293.db2.gz QIWFBVKBTZSNMX-ONEGZZNKSA-N 1 2 245.286 0.956 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000064517691 349738528 /nfs/dbraw/zinc/73/85/28/349738528.db2.gz LSAXXEQXPPBDDL-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCOCC1(C)C)C1CC1 ZINC000064517691 349738531 /nfs/dbraw/zinc/73/85/31/349738531.db2.gz LSAXXEQXPPBDDL-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000602778436 349744674 /nfs/dbraw/zinc/74/46/74/349744674.db2.gz YDTGXMAZXPAIKQ-LLVKDONJSA-N 1 2 238.335 0.246 20 0 BCADLO CCN(C#N)CC[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000602778436 349744676 /nfs/dbraw/zinc/74/46/76/349744676.db2.gz YDTGXMAZXPAIKQ-LLVKDONJSA-N 1 2 238.335 0.246 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000602771830 349725901 /nfs/dbraw/zinc/72/59/01/349725901.db2.gz GNYDNHJHBLSODJ-YUMQZZPRSA-N 1 2 240.259 0.589 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000602771830 349725903 /nfs/dbraw/zinc/72/59/03/349725903.db2.gz GNYDNHJHBLSODJ-YUMQZZPRSA-N 1 2 240.259 0.589 20 0 BCADLO CC[N@H+](CCO)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602773130 349727430 /nfs/dbraw/zinc/72/74/30/349727430.db2.gz QVHDOTZJZGTTPC-MRVPVSSYSA-N 1 2 242.275 0.836 20 0 BCADLO CC[N@@H+](CCO)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602773130 349727434 /nfs/dbraw/zinc/72/74/34/349727434.db2.gz QVHDOTZJZGTTPC-MRVPVSSYSA-N 1 2 242.275 0.836 20 0 BCADLO CCN(C#N)CC[N@H+](C)CC(=O)N1CCCC1 ZINC000602758109 349732281 /nfs/dbraw/zinc/73/22/81/349732281.db2.gz KQQBLDMNFRNBGO-UHFFFAOYSA-N 1 2 238.335 0.344 20 0 BCADLO CCN(C#N)CC[N@@H+](C)CC(=O)N1CCCC1 ZINC000602758109 349732285 /nfs/dbraw/zinc/73/22/85/349732285.db2.gz KQQBLDMNFRNBGO-UHFFFAOYSA-N 1 2 238.335 0.344 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+](C)CCO)n1 ZINC000602762644 349733362 /nfs/dbraw/zinc/73/33/62/349733362.db2.gz OZYGEBPMLLDFOE-SSDOTTSWSA-N 1 2 228.248 0.446 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)CCO)n1 ZINC000602762644 349733364 /nfs/dbraw/zinc/73/33/64/349733364.db2.gz OZYGEBPMLLDFOE-SSDOTTSWSA-N 1 2 228.248 0.446 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000602820736 349760696 /nfs/dbraw/zinc/76/06/96/349760696.db2.gz KWJVFBRYSURMQQ-VLEAKVRGSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000602820736 349760699 /nfs/dbraw/zinc/76/06/99/349760699.db2.gz KWJVFBRYSURMQQ-VLEAKVRGSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602821169 349762493 /nfs/dbraw/zinc/76/24/93/349762493.db2.gz LZVZVEZAQFEYEA-BDAKNGLRSA-N 1 2 238.291 0.259 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602821169 349762496 /nfs/dbraw/zinc/76/24/96/349762496.db2.gz LZVZVEZAQFEYEA-BDAKNGLRSA-N 1 2 238.291 0.259 20 0 BCADLO CC(C)OCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634619528 343016991 /nfs/dbraw/zinc/01/69/91/343016991.db2.gz BNCVFLKOBOQEER-VIFPVBQESA-N 1 2 225.292 0.219 20 0 BCADLO Cc1cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)ccn1 ZINC000634619270 343018355 /nfs/dbraw/zinc/01/83/55/343018355.db2.gz UKBIBGANTQNMHU-SNVBAGLBSA-N 1 2 230.271 0.702 20 0 BCADLO CCN(C#N)CC[N@H+](C)Cc1cnccn1 ZINC000602781272 349747595 /nfs/dbraw/zinc/74/75/95/349747595.db2.gz SBIYLKFPWLHXPI-UHFFFAOYSA-N 1 2 219.292 0.711 20 0 BCADLO CCN(C#N)CC[N@@H+](C)Cc1cnccn1 ZINC000602781272 349747597 /nfs/dbraw/zinc/74/75/97/349747597.db2.gz SBIYLKFPWLHXPI-UHFFFAOYSA-N 1 2 219.292 0.711 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362563294 187219665 /nfs/dbraw/zinc/21/96/65/187219665.db2.gz XVQONHYOBNTMNU-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362563294 187219667 /nfs/dbraw/zinc/21/96/67/187219667.db2.gz XVQONHYOBNTMNU-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)(O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000361943854 187219797 /nfs/dbraw/zinc/21/97/97/187219797.db2.gz LVRUBQOWYCOVEG-MRVPVSSYSA-N 1 2 211.265 0.977 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000361943854 187219800 /nfs/dbraw/zinc/21/98/00/187219800.db2.gz LVRUBQOWYCOVEG-MRVPVSSYSA-N 1 2 211.265 0.977 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000602812809 349756060 /nfs/dbraw/zinc/75/60/60/349756060.db2.gz RLDKBNIBJACXDE-LBPRGKRZSA-N 1 2 239.319 0.281 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000602812809 349756062 /nfs/dbraw/zinc/75/60/62/349756062.db2.gz RLDKBNIBJACXDE-LBPRGKRZSA-N 1 2 239.319 0.281 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCSC1)CC[NH2+]C2 ZINC000634628131 343034443 /nfs/dbraw/zinc/03/44/43/343034443.db2.gz ROAKJPPZUVNSLZ-SFYZADRCSA-N 1 2 225.317 0.300 20 0 BCADLO O=c1c2c([nH]n1[C@H]1CCSC1)CC[NH2+]C2 ZINC000634628132 343034504 /nfs/dbraw/zinc/03/45/04/343034504.db2.gz ROAKJPPZUVNSLZ-YUMQZZPRSA-N 1 2 225.317 0.300 20 0 BCADLO O=c1c2c([nH]n1C[C@@H]1CCSC1)CC[NH2+]C2 ZINC000634628633 343036046 /nfs/dbraw/zinc/03/60/46/343036046.db2.gz BWVCRKYRKGDWCL-IUCAKERBSA-N 1 2 239.344 0.547 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000576849607 365703789 /nfs/dbraw/zinc/70/37/89/365703789.db2.gz WHDCJJYNSUSVJT-NWDGAFQWSA-N 1 2 249.314 0.743 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000576849608 365703872 /nfs/dbraw/zinc/70/38/72/365703872.db2.gz WHDCJJYNSUSVJT-RYUDHWBXSA-N 1 2 249.314 0.743 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000576849609 365704161 /nfs/dbraw/zinc/70/41/61/365704161.db2.gz WHDCJJYNSUSVJT-VXGBXAGGSA-N 1 2 249.314 0.743 20 0 BCADLO O=C(OC1CCC1)N1CC[NH+](CCO)CC1 ZINC000322225719 259346225 /nfs/dbraw/zinc/34/62/25/259346225.db2.gz VZKFSEFMBWHUPG-UHFFFAOYSA-N 1 2 228.292 0.285 20 0 BCADLO CCc1cc(N[C@H](C)CC(N)=O)nc[nH+]1 ZINC000127212058 344026053 /nfs/dbraw/zinc/02/60/53/344026053.db2.gz YNKUNLXUZYNQFK-SSDOTTSWSA-N 1 2 208.265 0.715 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2CCCSC2)n1 ZINC000236099728 343074525 /nfs/dbraw/zinc/07/45/25/343074525.db2.gz OKQSATZWBXXYNH-ZETCQYMHSA-N 1 2 213.310 0.195 20 0 BCADLO COCc1noc([C@]2(COC)CCCC[NH2+]2)n1 ZINC000634555062 362044758 /nfs/dbraw/zinc/04/47/58/362044758.db2.gz YPIUUINJWFJSGJ-LLVKDONJSA-N 1 2 241.291 0.831 20 0 BCADLO C[N@H+](CC(=O)NC(N)=O)Cc1ccccc1F ZINC000026294918 343103195 /nfs/dbraw/zinc/10/31/95/343103195.db2.gz OYNLPJMUUGRQHL-UHFFFAOYSA-N 1 2 239.250 0.452 20 0 BCADLO C[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1F ZINC000026294918 343103196 /nfs/dbraw/zinc/10/31/96/343103196.db2.gz OYNLPJMUUGRQHL-UHFFFAOYSA-N 1 2 239.250 0.452 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)CSC)C(C)(C)C ZINC000309949081 343104453 /nfs/dbraw/zinc/10/44/53/343104453.db2.gz FIMTTWGPBMCDOW-IUCAKERBSA-N 1 2 249.376 0.888 20 0 BCADLO Cn1cc[nH+]c1Cn1cc(C2CC2)nn1 ZINC000640954727 362097908 /nfs/dbraw/zinc/09/79/08/362097908.db2.gz WFKANFMHRGOBSX-UHFFFAOYSA-N 1 2 203.249 0.937 20 0 BCADLO CC[C@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939538 362078527 /nfs/dbraw/zinc/07/85/27/362078527.db2.gz STDALPHRBGMKSI-WPRPVWTQSA-N 1 2 210.281 0.910 20 0 BCADLO C[N@H+](CCO)Cc1cn([C@@H]2C=CCCC2)nn1 ZINC000640947007 362092955 /nfs/dbraw/zinc/09/29/55/362092955.db2.gz AXKCFCWPIUWGLQ-GFCCVEGCSA-N 1 2 236.319 0.983 20 0 BCADLO C[N@@H+](CCO)Cc1cn([C@@H]2C=CCCC2)nn1 ZINC000640947007 362092960 /nfs/dbraw/zinc/09/29/60/362092960.db2.gz AXKCFCWPIUWGLQ-GFCCVEGCSA-N 1 2 236.319 0.983 20 0 BCADLO CNC(=O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184588389 136270343 /nfs/dbraw/zinc/27/03/43/136270343.db2.gz YWTRNLIAJORYEH-UHFFFAOYSA-N 1 2 246.270 0.087 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C12CC(C1)C2 ZINC000625261293 343137089 /nfs/dbraw/zinc/13/70/89/343137089.db2.gz FLOUQEHVEYIZIP-ZBOXLXRLSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C12CC(C1)C2 ZINC000625261293 343137092 /nfs/dbraw/zinc/13/70/92/343137092.db2.gz FLOUQEHVEYIZIP-ZBOXLXRLSA-N 1 2 238.331 0.623 20 0 BCADLO Cc1cc2[nH+]cn(CC(=O)NC(N)=O)c2cc1C ZINC000130221797 343180875 /nfs/dbraw/zinc/18/08/75/343180875.db2.gz PTSREDUZLYIKSW-UHFFFAOYSA-N 1 2 246.270 0.848 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1(O)CCC1 ZINC000131313810 343183197 /nfs/dbraw/zinc/18/31/97/343183197.db2.gz YSLDSPHRPLCKHW-UHFFFAOYSA-N 1 2 224.264 0.394 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1(O)CCC1 ZINC000131313810 343183199 /nfs/dbraw/zinc/18/31/99/343183199.db2.gz YSLDSPHRPLCKHW-UHFFFAOYSA-N 1 2 224.264 0.394 20 0 BCADLO C[N@H+](Cc1cccs1)[C@@H]1CC(=O)NC1=O ZINC000576954203 365731182 /nfs/dbraw/zinc/73/11/82/365731182.db2.gz KULVSOJUMSPCGL-MRVPVSSYSA-N 1 2 224.285 0.595 20 0 BCADLO C[N@@H+](Cc1cccs1)[C@@H]1CC(=O)NC1=O ZINC000576954203 365731184 /nfs/dbraw/zinc/73/11/84/365731184.db2.gz KULVSOJUMSPCGL-MRVPVSSYSA-N 1 2 224.285 0.595 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000295459652 187242205 /nfs/dbraw/zinc/24/22/05/187242205.db2.gz FLNXDQZHKVWRQR-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000295459652 187242207 /nfs/dbraw/zinc/24/22/07/187242207.db2.gz FLNXDQZHKVWRQR-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO CCOCc1nc([C@H](C)[NH2+]C[C@H](C)O)no1 ZINC000580545225 365740088 /nfs/dbraw/zinc/74/00/88/365740088.db2.gz KLPVBKCDORBSMP-YUMQZZPRSA-N 1 2 229.280 0.638 20 0 BCADLO Cc1nc([C@@H]2C[N@H+](CC(C)(C)O)CCO2)no1 ZINC000408031980 136272888 /nfs/dbraw/zinc/27/28/88/136272888.db2.gz RADUZDOSNUQLCS-VIFPVBQESA-N 1 2 241.291 0.522 20 0 BCADLO Cc1nc([C@@H]2C[N@@H+](CC(C)(C)O)CCO2)no1 ZINC000408031980 136272889 /nfs/dbraw/zinc/27/28/89/136272889.db2.gz RADUZDOSNUQLCS-VIFPVBQESA-N 1 2 241.291 0.522 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(N)cn1 ZINC000156811762 343198666 /nfs/dbraw/zinc/19/86/66/343198666.db2.gz YHRBXPSILVSXCB-UHFFFAOYSA-N 1 2 245.286 0.670 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163339556 343206337 /nfs/dbraw/zinc/20/63/37/343206337.db2.gz LIHYOLPYGPDVKZ-SFYZADRCSA-N 1 2 201.266 0.299 20 0 BCADLO CCCOCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988743 259357110 /nfs/dbraw/zinc/35/71/10/259357110.db2.gz FLJBLGZOTQNNPR-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1csc(C[NH2+]CCc2nc[nH]n2)n1 ZINC000133288152 343190284 /nfs/dbraw/zinc/19/02/84/343190284.db2.gz OHMWPGRSUXACHJ-UHFFFAOYSA-N 1 2 223.305 0.902 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H](C)O)C(C)C ZINC000133561094 343190972 /nfs/dbraw/zinc/19/09/72/343190972.db2.gz NBAYQTHFHNMDCI-DTWKUNHWSA-N 1 2 203.282 0.545 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCCO[C@H](C)C1 ZINC000134882713 343191641 /nfs/dbraw/zinc/19/16/41/343191641.db2.gz IUFGFWAFHJINSD-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCCO[C@H](C)C1 ZINC000134882713 343191643 /nfs/dbraw/zinc/19/16/43/343191643.db2.gz IUFGFWAFHJINSD-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO CCOCCCNc1nc[nH+]c(N)c1OC ZINC000134817826 343195360 /nfs/dbraw/zinc/19/53/60/343195360.db2.gz JNAKRDMRBIFVHE-UHFFFAOYSA-N 1 2 226.280 0.906 20 0 BCADLO CCOCCCNc1[nH+]cnc(N)c1OC ZINC000134817826 343195361 /nfs/dbraw/zinc/19/53/61/343195361.db2.gz JNAKRDMRBIFVHE-UHFFFAOYSA-N 1 2 226.280 0.906 20 0 BCADLO CC[C@@H](CS(=O)(=O)NCc1c[nH+]c[nH]1)OC ZINC000625301911 343227745 /nfs/dbraw/zinc/22/77/45/343227745.db2.gz ZCJDIUCRUPXGGT-VIFPVBQESA-N 1 2 247.320 0.254 20 0 BCADLO CC[C@@H](CS(=O)(=O)NCc1c[nH]c[nH+]1)OC ZINC000625301911 343227748 /nfs/dbraw/zinc/22/77/48/343227748.db2.gz ZCJDIUCRUPXGGT-VIFPVBQESA-N 1 2 247.320 0.254 20 0 BCADLO C[N@H+](Cc1cnns1)[C@@]1(CO)CCOC1 ZINC000625322817 343232038 /nfs/dbraw/zinc/23/20/38/343232038.db2.gz YBIJRDUMGBIKHN-SECBINFHSA-N 1 2 229.305 0.121 20 0 BCADLO C[N@@H+](Cc1cnns1)[C@@]1(CO)CCOC1 ZINC000625322817 343232039 /nfs/dbraw/zinc/23/20/39/343232039.db2.gz YBIJRDUMGBIKHN-SECBINFHSA-N 1 2 229.305 0.121 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@H](C)C(=O)OC)n1 ZINC000048335408 343244071 /nfs/dbraw/zinc/24/40/71/343244071.db2.gz OTYKVKYBMQUQQY-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@H](C)C(=O)OC)n1 ZINC000048335408 343244073 /nfs/dbraw/zinc/24/40/73/343244073.db2.gz OTYKVKYBMQUQQY-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO COCCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000641022452 362139315 /nfs/dbraw/zinc/13/93/15/362139315.db2.gz CMBREBFNQVHUCR-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO COCCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641022452 362139321 /nfs/dbraw/zinc/13/93/21/362139321.db2.gz CMBREBFNQVHUCR-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCc1nc(C(=O)NCCc2c[nH+]cn2C)co1 ZINC000121426607 343266968 /nfs/dbraw/zinc/26/69/68/343266968.db2.gz KWHICUPLIUOEEC-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO COC(C)(C)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035523 362148162 /nfs/dbraw/zinc/14/81/62/362148162.db2.gz NCZIBNLYWRGCEF-UHFFFAOYSA-N 1 2 221.264 0.931 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(CCCCCO)nn1 ZINC000641038503 362151715 /nfs/dbraw/zinc/15/17/15/362151715.db2.gz PTNNYYCBCLQIIT-UHFFFAOYSA-N 1 2 249.318 0.765 20 0 BCADLO c1cn(Cc2cn(CCOCC3CC3)nn2)c[nH+]1 ZINC000641060060 362168805 /nfs/dbraw/zinc/16/88/05/362168805.db2.gz DIXLVGLBQXZDRD-UHFFFAOYSA-N 1 2 247.302 0.950 20 0 BCADLO CCOCc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054343 362164042 /nfs/dbraw/zinc/16/40/42/362164042.db2.gz WOOFLLMCCKQQMG-UHFFFAOYSA-N 1 2 221.264 0.596 20 0 BCADLO CCn1ccc(CNC(=O)Cc2c[nH+]cn2C)n1 ZINC000622702809 343314456 /nfs/dbraw/zinc/31/44/56/343314456.db2.gz BIDLVMDIFIMGIT-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CCSCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000348813637 136299121 /nfs/dbraw/zinc/29/91/21/136299121.db2.gz XDOKPPXNQPABHH-UHFFFAOYSA-N 1 2 216.350 0.904 20 0 BCADLO CCSCC[N@H+]1CCN(CC)C(=O)C1 ZINC000348813637 136299122 /nfs/dbraw/zinc/29/91/22/136299122.db2.gz XDOKPPXNQPABHH-UHFFFAOYSA-N 1 2 216.350 0.904 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC1(C)C ZINC000622703520 343372786 /nfs/dbraw/zinc/37/27/86/343372786.db2.gz GLXYHUCWKYYUAX-VIFPVBQESA-N 1 2 207.277 0.877 20 0 BCADLO OCCCn1cc[nH+]c1CN1CCOCC1 ZINC000231546112 488212841 /nfs/dbraw/zinc/21/28/41/488212841.db2.gz UXCCZGGPVASKNJ-UHFFFAOYSA-N 1 2 225.292 0.098 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367063350 136301835 /nfs/dbraw/zinc/30/18/35/136301835.db2.gz VJAFQPLGQMFNLI-DGCLKSJQSA-N 1 2 248.330 0.865 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000039225856 187255814 /nfs/dbraw/zinc/25/58/14/187255814.db2.gz DHMYZCGDDRPAPK-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367063352 136302080 /nfs/dbraw/zinc/30/20/80/136302080.db2.gz VJAFQPLGQMFNLI-YPMHNXCESA-N 1 2 248.330 0.865 20 0 BCADLO CC(C)CC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000335675609 136318079 /nfs/dbraw/zinc/31/80/79/136318079.db2.gz NOJMHAGFROYFEC-UHFFFAOYSA-N 1 2 210.281 0.845 20 0 BCADLO CC(C)CC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000335675609 136318080 /nfs/dbraw/zinc/31/80/80/136318080.db2.gz NOJMHAGFROYFEC-UHFFFAOYSA-N 1 2 210.281 0.845 20 0 BCADLO CC(C)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000335675609 136318081 /nfs/dbraw/zinc/31/80/81/136318081.db2.gz NOJMHAGFROYFEC-UHFFFAOYSA-N 1 2 210.281 0.845 20 0 BCADLO CC(C)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000335675609 136318082 /nfs/dbraw/zinc/31/80/82/136318082.db2.gz NOJMHAGFROYFEC-UHFFFAOYSA-N 1 2 210.281 0.845 20 0 BCADLO Cc1cc[nH+]cc1Cn1cc(COCCO)nn1 ZINC000641070810 362179445 /nfs/dbraw/zinc/17/94/45/362179445.db2.gz NZPQFMLJEBICGV-UHFFFAOYSA-N 1 2 248.286 0.539 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335663541 136315895 /nfs/dbraw/zinc/31/58/95/136315895.db2.gz NKEZZQDAGQABBH-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335663541 136315896 /nfs/dbraw/zinc/31/58/96/136315896.db2.gz NKEZZQDAGQABBH-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO COCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641076032 362185076 /nfs/dbraw/zinc/18/50/76/362185076.db2.gz QMJKVJBIEDFMBZ-UHFFFAOYSA-N 1 2 235.291 0.950 20 0 BCADLO CN1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000039204283 343387055 /nfs/dbraw/zinc/38/70/55/343387055.db2.gz NHZALBGLEOPIMY-UHFFFAOYSA-N 1 2 231.303 0.705 20 0 BCADLO CC1(C)CC[C@H](CO)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000621381297 343395247 /nfs/dbraw/zinc/39/52/47/343395247.db2.gz QBNONIAOKDTCHE-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000621381297 343395249 /nfs/dbraw/zinc/39/52/49/343395249.db2.gz QBNONIAOKDTCHE-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000040791688 343409224 /nfs/dbraw/zinc/40/92/24/343409224.db2.gz IUULGPVXZYBPIC-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]c1 ZINC000040834774 343410262 /nfs/dbraw/zinc/41/02/62/343410262.db2.gz RINNJYATCCEIAE-QMMMGPOBSA-N 1 2 219.248 0.425 20 0 BCADLO CO[C@H](C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641080332 362194915 /nfs/dbraw/zinc/19/49/15/362194915.db2.gz IPQLBCOIHLNVJQ-SECBINFHSA-N 1 2 221.264 0.558 20 0 BCADLO CC(C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047617647 343420367 /nfs/dbraw/zinc/42/03/67/343420367.db2.gz IQBIZNUJURMIBT-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cccn1 ZINC000042532642 343441900 /nfs/dbraw/zinc/44/19/00/343441900.db2.gz CNBJDOSPZJTAHN-LLVKDONJSA-N 1 2 247.302 0.675 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)n1cncn1 ZINC000042535261 343441942 /nfs/dbraw/zinc/44/19/42/343441942.db2.gz LVROGMZMPJMLEF-VHSXEESVSA-N 1 2 248.290 0.241 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1 ZINC000042513494 343441183 /nfs/dbraw/zinc/44/11/83/343441183.db2.gz XWDXRDYAKHEFFM-VIFPVBQESA-N 1 2 233.275 0.435 20 0 BCADLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCO)C1CC1 ZINC000349163299 136328828 /nfs/dbraw/zinc/32/88/28/136328828.db2.gz YSDJXNDZQWIKEI-VIFPVBQESA-N 1 2 238.291 0.163 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1(CCO)CC1 ZINC000349224237 136332388 /nfs/dbraw/zinc/33/23/88/136332388.db2.gz MXTLIVZANMFJAO-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853538 343430361 /nfs/dbraw/zinc/43/03/61/343430361.db2.gz ZCPRIBYAQHSRTB-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853538 343430364 /nfs/dbraw/zinc/43/03/64/343430364.db2.gz ZCPRIBYAQHSRTB-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)on1 ZINC000335701904 136334280 /nfs/dbraw/zinc/33/42/80/136334280.db2.gz VYULBJKBMZEEAR-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)on1 ZINC000335701904 136334281 /nfs/dbraw/zinc/33/42/81/136334281.db2.gz VYULBJKBMZEEAR-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000042182219 343431068 /nfs/dbraw/zinc/43/10/68/343431068.db2.gz GTXBMWRUPBDOBD-UHFFFAOYSA-N 1 2 208.265 0.187 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCC2CCC2)nn1 ZINC000641092245 362218667 /nfs/dbraw/zinc/21/86/67/362218667.db2.gz GTNMJRXJEACBJK-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCC2CCC2)nn1 ZINC000641092245 362218673 /nfs/dbraw/zinc/21/86/73/362218673.db2.gz GTNMJRXJEACBJK-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000335854752 136355805 /nfs/dbraw/zinc/35/58/05/136355805.db2.gz DHYSAXFBVHIGMY-MNOVXSKESA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000335854752 136355806 /nfs/dbraw/zinc/35/58/06/136355806.db2.gz DHYSAXFBVHIGMY-MNOVXSKESA-N 1 2 235.287 0.170 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000367103833 136357163 /nfs/dbraw/zinc/35/71/63/136357163.db2.gz SIMABHOEAKMPCJ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000367103833 136357164 /nfs/dbraw/zinc/35/71/64/136357164.db2.gz SIMABHOEAKMPCJ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000335898749 136359959 /nfs/dbraw/zinc/35/99/59/136359959.db2.gz COPGKQRGHVRUIA-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCc1nocc1C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000350484150 136361324 /nfs/dbraw/zinc/36/13/24/136361324.db2.gz WRWIIZDHAMHHEH-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+]1CCC[C@H]1C(=O)NC ZINC000350484150 136361325 /nfs/dbraw/zinc/36/13/25/136361325.db2.gz WRWIIZDHAMHHEH-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO CC(C)(CCCO)CNC(=O)Cn1cc[nH+]c1 ZINC000379932127 365744672 /nfs/dbraw/zinc/74/46/72/365744672.db2.gz UYRBDHAXHHSTDW-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO C[C@@H](CC(=O)NC(C)(C)C(N)=O)n1cc[nH+]c1 ZINC000570048038 323048202 /nfs/dbraw/zinc/04/82/02/323048202.db2.gz DXAFFIRYIHAMTN-QMMMGPOBSA-N 1 2 238.291 0.214 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000351028429 136366694 /nfs/dbraw/zinc/36/66/94/136366694.db2.gz QYFADLXVKLVGKW-IUCAKERBSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000351028429 136366695 /nfs/dbraw/zinc/36/66/95/136366695.db2.gz QYFADLXVKLVGKW-IUCAKERBSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cocn1 ZINC000351183108 136368444 /nfs/dbraw/zinc/36/84/44/136368444.db2.gz LSOZLXXHRLBEQL-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cocn1 ZINC000351183108 136368445 /nfs/dbraw/zinc/36/84/45/136368445.db2.gz LSOZLXXHRLBEQL-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000351501296 136368703 /nfs/dbraw/zinc/36/87/03/136368703.db2.gz HGDROFKWNLMENR-APPZFPTMSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000351501296 136368704 /nfs/dbraw/zinc/36/87/04/136368704.db2.gz HGDROFKWNLMENR-APPZFPTMSA-N 1 2 237.307 0.063 20 0 BCADLO CN(C)c1ccc(C(=O)N2CC[NH+](C)CC2)nc1 ZINC000351499760 136368841 /nfs/dbraw/zinc/36/88/41/136368841.db2.gz PPSDIVFLCYISKL-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1nc([C@H](C)[N@H+](C)C2CC(O)C2)no1 ZINC000351577308 136369178 /nfs/dbraw/zinc/36/91/78/136369178.db2.gz FDPWCIPHCFYEKI-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nc([C@H](C)[N@@H+](C)C2CC(O)C2)no1 ZINC000351577308 136369179 /nfs/dbraw/zinc/36/91/79/136369179.db2.gz FDPWCIPHCFYEKI-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351608523 136370195 /nfs/dbraw/zinc/37/01/95/136370195.db2.gz NLNXWUOXIXPNHX-UHFFFAOYSA-N 1 2 224.264 0.116 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351608523 136370196 /nfs/dbraw/zinc/37/01/96/136370196.db2.gz NLNXWUOXIXPNHX-UHFFFAOYSA-N 1 2 224.264 0.116 20 0 BCADLO c1cnn(Cc2cn(CCn3cc[nH+]c3)nn2)c1 ZINC000641124054 362231630 /nfs/dbraw/zinc/23/16/30/362231630.db2.gz ULNTYDFVAJEDAH-UHFFFAOYSA-N 1 2 243.274 0.420 20 0 BCADLO CCOCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189555979 136372206 /nfs/dbraw/zinc/37/22/06/136372206.db2.gz ZJPZPIYMUCLWTP-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189555979 136372207 /nfs/dbraw/zinc/37/22/07/136372207.db2.gz ZJPZPIYMUCLWTP-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CO1 ZINC000616496657 343480900 /nfs/dbraw/zinc/48/09/00/343480900.db2.gz LMGBFDPAFKQHSO-GWOFURMSSA-N 1 2 249.314 0.817 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H](CO)C1 ZINC000310392485 343469914 /nfs/dbraw/zinc/46/99/14/343469914.db2.gz LGBJDPPJFZVDHN-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000678223434 488220858 /nfs/dbraw/zinc/22/08/58/488220858.db2.gz GRGJXDXWUZNWBM-SNVBAGLBSA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000678223434 488220861 /nfs/dbraw/zinc/22/08/61/488220861.db2.gz GRGJXDXWUZNWBM-SNVBAGLBSA-N 1 2 220.276 0.216 20 0 BCADLO CCn1ccnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000622712689 343521569 /nfs/dbraw/zinc/52/15/69/343521569.db2.gz IOGNDPLYSQDWTG-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000622712689 343521570 /nfs/dbraw/zinc/52/15/70/343521570.db2.gz IOGNDPLYSQDWTG-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)[nH]1 ZINC000510113332 529735269 /nfs/dbraw/zinc/73/52/69/529735269.db2.gz PVPADPQBLTWRDW-DTORHVGOSA-N 1 2 224.308 0.976 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)[nH]1 ZINC000510113332 529735270 /nfs/dbraw/zinc/73/52/70/529735270.db2.gz PVPADPQBLTWRDW-DTORHVGOSA-N 1 2 224.308 0.976 20 0 BCADLO CCc1n[nH]c(NC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC000479219989 529743965 /nfs/dbraw/zinc/74/39/65/529743965.db2.gz RWXSJNGBUMXWSS-VIFPVBQESA-N 1 2 239.323 0.892 20 0 BCADLO CCc1nc(NC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC000479219989 529743966 /nfs/dbraw/zinc/74/39/66/529743966.db2.gz RWXSJNGBUMXWSS-VIFPVBQESA-N 1 2 239.323 0.892 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCSC1 ZINC000280189818 187342297 /nfs/dbraw/zinc/34/22/97/187342297.db2.gz QCDMHUZMNCLNRI-SECBINFHSA-N 1 2 239.344 0.974 20 0 BCADLO CSCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872566 343613786 /nfs/dbraw/zinc/61/37/86/343613786.db2.gz JVCVWJGNTAUWCU-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000087479605 343650401 /nfs/dbraw/zinc/65/04/01/343650401.db2.gz RUPJJGWKOKLZOU-SCZZXKLOSA-N 1 2 215.293 0.953 20 0 BCADLO CNC(=O)CC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000119293533 343692456 /nfs/dbraw/zinc/69/24/56/343692456.db2.gz VPOSAVQKWHPXSU-VIFPVBQESA-N 1 2 230.308 0.300 20 0 BCADLO CCCNC(=O)C[NH+]1CCSCC1 ZINC000047986881 343685579 /nfs/dbraw/zinc/68/55/79/343685579.db2.gz MSNVYMJPOKUNJS-UHFFFAOYSA-N 1 2 202.323 0.561 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCCC1 ZINC000625436201 343733792 /nfs/dbraw/zinc/73/37/92/343733792.db2.gz GNDWCHSUULTSEH-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO C[C@H](NCC[N@@H+]1CC[C@H](O)C1)c1nccs1 ZINC000624335756 343717821 /nfs/dbraw/zinc/71/78/21/343717821.db2.gz ZWUHMCJWYMCWBA-UWVGGRQHSA-N 1 2 241.360 0.860 20 0 BCADLO C[C@H](NCC[N@H+]1CC[C@H](O)C1)c1nccs1 ZINC000624335756 343717823 /nfs/dbraw/zinc/71/78/23/343717823.db2.gz ZWUHMCJWYMCWBA-UWVGGRQHSA-N 1 2 241.360 0.860 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)no1 ZINC000341004190 343720848 /nfs/dbraw/zinc/72/08/48/343720848.db2.gz AKXFLOFGXDDXMI-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)no1 ZINC000341004190 343720849 /nfs/dbraw/zinc/72/08/49/343720849.db2.gz AKXFLOFGXDDXMI-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)no1 ZINC000341004192 343721394 /nfs/dbraw/zinc/72/13/94/343721394.db2.gz AKXFLOFGXDDXMI-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)no1 ZINC000341004192 343721396 /nfs/dbraw/zinc/72/13/96/343721396.db2.gz AKXFLOFGXDDXMI-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](O)C(C)C ZINC000584219213 343773368 /nfs/dbraw/zinc/77/33/68/343773368.db2.gz OMFRSFTXQKKQPC-ZYHUDNBSSA-N 1 2 239.319 0.795 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H](O)C(C)C ZINC000584219211 343773415 /nfs/dbraw/zinc/77/34/15/343773415.db2.gz OMFRSFTXQKKQPC-JQWIXIFHSA-N 1 2 239.319 0.795 20 0 BCADLO CN1CC[N@H+](CCC(=O)OC(C)(C)C)CC1=O ZINC000119356457 343749310 /nfs/dbraw/zinc/74/93/10/343749310.db2.gz SFQGXXUREWFCSR-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CN1CC[N@@H+](CCC(=O)OC(C)(C)C)CC1=O ZINC000119356457 343749312 /nfs/dbraw/zinc/74/93/12/343749312.db2.gz SFQGXXUREWFCSR-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CN1CC[N@H+](CCO[C@@H]2CCCCO2)CC1=O ZINC000193057637 365797974 /nfs/dbraw/zinc/79/79/74/365797974.db2.gz QQNNMKVRDNPFHE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO CN1CC[N@@H+](CCO[C@@H]2CCCCO2)CC1=O ZINC000193057637 365797977 /nfs/dbraw/zinc/79/79/77/365797977.db2.gz QQNNMKVRDNPFHE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCc1c[nH+]cn1C ZINC000584123486 343763160 /nfs/dbraw/zinc/76/31/60/343763160.db2.gz XNXMCNJMNLDCOL-NSHDSACASA-N 1 2 225.292 0.445 20 0 BCADLO CCN(C[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000584146711 343765328 /nfs/dbraw/zinc/76/53/28/343765328.db2.gz OWEJZWXMJKPLTC-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CNC(=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872186 529853167 /nfs/dbraw/zinc/85/31/67/529853167.db2.gz YILGZSNAYFQVBD-SNAWJCMRSA-N 1 2 236.275 0.065 20 0 BCADLO COc1ccc(C[N@H+](C2CC2)C2COC2)nn1 ZINC000295560206 187351272 /nfs/dbraw/zinc/35/12/72/187351272.db2.gz XUMXFCUNOOWPPB-UHFFFAOYSA-N 1 2 235.287 0.848 20 0 BCADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)nn1 ZINC000295560206 187351274 /nfs/dbraw/zinc/35/12/74/187351274.db2.gz XUMXFCUNOOWPPB-UHFFFAOYSA-N 1 2 235.287 0.848 20 0 BCADLO CC(=O)C1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000295413570 187351342 /nfs/dbraw/zinc/35/13/42/187351342.db2.gz NGGFQSOCVAVKOY-UHFFFAOYSA-N 1 2 247.298 0.979 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000187942433 259371489 /nfs/dbraw/zinc/37/14/89/259371489.db2.gz CSXCOBGGFOWMBE-ZJUUUORDSA-N 1 2 249.376 0.982 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000187942433 259371491 /nfs/dbraw/zinc/37/14/91/259371491.db2.gz CSXCOBGGFOWMBE-ZJUUUORDSA-N 1 2 249.376 0.982 20 0 BCADLO C[C@@H](CS(C)(=O)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000683897954 488240027 /nfs/dbraw/zinc/24/00/27/488240027.db2.gz JWZMCOVJMDCVQY-VIFPVBQESA-N 1 2 245.348 0.285 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000145589654 537821979 /nfs/dbraw/zinc/82/19/79/537821979.db2.gz DMQKKEDRBBDRSP-LLVKDONJSA-N 1 2 236.271 0.078 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000145589654 537821986 /nfs/dbraw/zinc/82/19/86/537821986.db2.gz DMQKKEDRBBDRSP-LLVKDONJSA-N 1 2 236.271 0.078 20 0 BCADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)OC ZINC000495836704 529892686 /nfs/dbraw/zinc/89/26/86/529892686.db2.gz KUPUJFWACGSTIT-SECBINFHSA-N 1 2 244.291 0.370 20 0 BCADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)OC ZINC000495836704 529892687 /nfs/dbraw/zinc/89/26/87/529892687.db2.gz KUPUJFWACGSTIT-SECBINFHSA-N 1 2 244.291 0.370 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1cnc[nH]1 ZINC000179621615 346991064 /nfs/dbraw/zinc/99/10/64/346991064.db2.gz OQVAZMSPAZPQAL-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1cnc[nH]1 ZINC000179621615 346991066 /nfs/dbraw/zinc/99/10/66/346991066.db2.gz OQVAZMSPAZPQAL-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1c[nH]cn1 ZINC000179621615 346991068 /nfs/dbraw/zinc/99/10/68/346991068.db2.gz OQVAZMSPAZPQAL-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1c[nH]cn1 ZINC000179621615 346991070 /nfs/dbraw/zinc/99/10/70/346991070.db2.gz OQVAZMSPAZPQAL-UHFFFAOYSA-N 1 2 205.265 0.738 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000595308457 537828628 /nfs/dbraw/zinc/82/86/28/537828628.db2.gz OFQWPPQLXDCHOW-ZJUUUORDSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000595308457 537828636 /nfs/dbraw/zinc/82/86/36/537828636.db2.gz OFQWPPQLXDCHOW-ZJUUUORDSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@H]1C[N@H+](CCOC2CCOCC2)CC(=O)N1 ZINC000625459857 343862850 /nfs/dbraw/zinc/86/28/50/343862850.db2.gz TUCPQZQMNMLPSB-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCOC2CCOCC2)CC(=O)N1 ZINC000625459857 343862852 /nfs/dbraw/zinc/86/28/52/343862852.db2.gz TUCPQZQMNMLPSB-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000625461719 343864668 /nfs/dbraw/zinc/86/46/68/343864668.db2.gz MFPBADGZEAVVIM-NXEZZACHSA-N 1 2 226.276 0.877 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000309257442 347005716 /nfs/dbraw/zinc/00/57/16/347005716.db2.gz ARBOQNVFIAXBPM-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000309257442 347005717 /nfs/dbraw/zinc/00/57/17/347005717.db2.gz ARBOQNVFIAXBPM-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO CSCc1cn(Cc2[nH+]ccn2C)nn1 ZINC000603202146 349886289 /nfs/dbraw/zinc/88/62/89/349886289.db2.gz BIZHOJQKKDJBTG-UHFFFAOYSA-N 1 2 223.305 0.923 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(CCC2CC2)nn1 ZINC000603223833 349887922 /nfs/dbraw/zinc/88/79/22/349887922.db2.gz JTGJJDHMKCVFCW-SNVBAGLBSA-N 1 2 238.291 0.121 20 0 BCADLO O=c1[nH]c(C[N@H+]2CC[C@H](O)C2)nc2ccccc21 ZINC000061707816 343898822 /nfs/dbraw/zinc/89/88/22/343898822.db2.gz PLRXORFUJQGMQJ-VIFPVBQESA-N 1 2 245.282 0.490 20 0 BCADLO O=c1[nH]c(C[N@@H+]2CC[C@H](O)C2)nc2ccccc21 ZINC000061707816 343898825 /nfs/dbraw/zinc/89/88/25/343898825.db2.gz PLRXORFUJQGMQJ-VIFPVBQESA-N 1 2 245.282 0.490 20 0 BCADLO CC(C)(NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000572609112 323063664 /nfs/dbraw/zinc/06/36/64/323063664.db2.gz BIPVYITVNVJREP-UHFFFAOYSA-N 1 2 219.248 0.798 20 0 BCADLO OCc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429320874 192067965 /nfs/dbraw/zinc/06/79/65/192067965.db2.gz WQWXNFVMRYNVBH-UHFFFAOYSA-N 1 2 244.298 0.855 20 0 BCADLO OCc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429320874 192067967 /nfs/dbraw/zinc/06/79/67/192067967.db2.gz WQWXNFVMRYNVBH-UHFFFAOYSA-N 1 2 244.298 0.855 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000625516771 343915318 /nfs/dbraw/zinc/91/53/18/343915318.db2.gz ZGGNOCIZESFXLT-WDEREUQCSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000625516771 343915320 /nfs/dbraw/zinc/91/53/20/343915320.db2.gz ZGGNOCIZESFXLT-WDEREUQCSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cncs1 ZINC000092041475 343952568 /nfs/dbraw/zinc/95/25/68/343952568.db2.gz FIYUACBENCBIGG-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cncs1 ZINC000092041475 343952569 /nfs/dbraw/zinc/95/25/69/343952569.db2.gz FIYUACBENCBIGG-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641213804 362276724 /nfs/dbraw/zinc/27/67/24/362276724.db2.gz PKBPRYXSLWLCGA-VIFPVBQESA-N 1 2 242.348 0.208 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492907928 529955330 /nfs/dbraw/zinc/95/53/30/529955330.db2.gz FJXSANFQQMOKAG-ZMWSMAPVSA-N 1 2 235.287 0.918 20 0 BCADLO O[C@H]1C[NH+](Cc2noc3c2CCCC3)C[C@@H]1O ZINC000625721921 344055896 /nfs/dbraw/zinc/05/58/96/344055896.db2.gz CTCMMCNDBQFJFE-QWRGUYRKSA-N 1 2 238.287 0.091 20 0 BCADLO CC(C)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641248837 362323396 /nfs/dbraw/zinc/32/33/96/362323396.db2.gz AMZQYVJAULQGQU-UHFFFAOYSA-N 1 2 231.321 0.553 20 0 BCADLO CCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641250689 362326081 /nfs/dbraw/zinc/32/60/81/362326081.db2.gz VSVQQNRDCDBYPZ-UHFFFAOYSA-N 1 2 245.348 0.993 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NC1CCCC1 ZINC000641250439 362326233 /nfs/dbraw/zinc/32/62/33/362326233.db2.gz UIYVIZFDJHGGOJ-UHFFFAOYSA-N 1 2 243.332 0.745 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)O)C1CC1 ZINC000234551972 344063417 /nfs/dbraw/zinc/06/34/17/344063417.db2.gz QRNFCXLMUXDQHR-CBAPKCEASA-N 1 2 201.266 0.299 20 0 BCADLO CC(=O)CCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330376880 187357367 /nfs/dbraw/zinc/35/73/67/187357367.db2.gz IGBRINVFWXWIIE-JTQLQIEISA-N 1 2 242.319 0.193 20 0 BCADLO C[C@@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000641241706 362301468 /nfs/dbraw/zinc/30/14/68/362301468.db2.gz KYUUNNTWBHGZQJ-SECBINFHSA-N 1 2 243.270 0.897 20 0 BCADLO CN(C)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000641262540 362337668 /nfs/dbraw/zinc/33/76/68/362337668.db2.gz AUYGSXJMCAPELL-UHFFFAOYSA-N 1 2 209.249 0.074 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(Cl)cn1 ZINC000624619901 344106485 /nfs/dbraw/zinc/10/64/85/344106485.db2.gz PBTCGJJTEAGOTG-VIFPVBQESA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ncc(Cl)cn1 ZINC000624619901 344106487 /nfs/dbraw/zinc/10/64/87/344106487.db2.gz PBTCGJJTEAGOTG-VIFPVBQESA-N 1 2 242.710 0.873 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(F)cn1 ZINC000624620803 344108448 /nfs/dbraw/zinc/10/84/48/344108448.db2.gz MLANFFREPONEPE-JTQLQIEISA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(F)cn1 ZINC000624620803 344108450 /nfs/dbraw/zinc/10/84/50/344108450.db2.gz MLANFFREPONEPE-JTQLQIEISA-N 1 2 225.267 0.963 20 0 BCADLO OCc1ccnc(NCCn2cc[nH+]c2)c1 ZINC000641279489 362342291 /nfs/dbraw/zinc/34/22/91/362342291.db2.gz TVHZSUJRDQWGBC-UHFFFAOYSA-N 1 2 218.260 0.883 20 0 BCADLO Fc1c[nH+]ccc1NCCc1nnc2n1CCC2 ZINC000641275427 362342728 /nfs/dbraw/zinc/34/27/28/362342728.db2.gz QZBFDQVKKRBKMC-UHFFFAOYSA-N 1 2 247.277 0.835 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(N)=O)ncn1 ZINC000641287583 362345068 /nfs/dbraw/zinc/34/50/68/362345068.db2.gz NQBWQTVYYCLPNL-QMMMGPOBSA-N 1 2 246.274 0.273 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1O ZINC000299891244 344116689 /nfs/dbraw/zinc/11/66/89/344116689.db2.gz KTCQNVMAZJWFBN-DTWKUNHWSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1O ZINC000299891244 344116691 /nfs/dbraw/zinc/11/66/91/344116691.db2.gz KTCQNVMAZJWFBN-DTWKUNHWSA-N 1 2 210.281 0.018 20 0 BCADLO Cc1ccnc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000331298419 187358930 /nfs/dbraw/zinc/35/89/30/187358930.db2.gz UZTHMJYAYRHIOR-WDEREUQCSA-N 1 2 239.319 0.349 20 0 BCADLO Cc1ccnc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000331298419 187358932 /nfs/dbraw/zinc/35/89/32/187358932.db2.gz UZTHMJYAYRHIOR-WDEREUQCSA-N 1 2 239.319 0.349 20 0 BCADLO CC(C)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641300571 362350699 /nfs/dbraw/zinc/35/06/99/362350699.db2.gz CLCGNGNQHOYDTH-UHFFFAOYSA-N 1 2 245.348 0.801 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc[nH+]cc1F ZINC000641263876 362335449 /nfs/dbraw/zinc/33/54/49/362335449.db2.gz DFAOAGCYTDHABC-SSDOTTSWSA-N 1 2 211.240 0.579 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331189265 187358287 /nfs/dbraw/zinc/35/82/87/187358287.db2.gz JSCUFTPZEBTCAO-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331189265 187358288 /nfs/dbraw/zinc/35/82/88/187358288.db2.gz JSCUFTPZEBTCAO-GFCCVEGCSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1O ZINC000221464269 259373375 /nfs/dbraw/zinc/37/33/75/259373375.db2.gz KTCQNVMAZJWFBN-BDAKNGLRSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1O ZINC000221464269 259373376 /nfs/dbraw/zinc/37/33/76/259373376.db2.gz KTCQNVMAZJWFBN-BDAKNGLRSA-N 1 2 210.281 0.018 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625853685 344125123 /nfs/dbraw/zinc/12/51/23/344125123.db2.gz ZZZXDMFEMXOWML-WDEREUQCSA-N 1 2 222.292 0.601 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625853685 344125126 /nfs/dbraw/zinc/12/51/26/344125126.db2.gz ZZZXDMFEMXOWML-WDEREUQCSA-N 1 2 222.292 0.601 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](C)C(=O)NC)no1 ZINC000081529621 344144451 /nfs/dbraw/zinc/14/44/51/344144451.db2.gz YGEKCICPWFIVKX-QMMMGPOBSA-N 1 2 240.307 0.446 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](C)C(=O)NC)no1 ZINC000081529621 344144453 /nfs/dbraw/zinc/14/44/53/344144453.db2.gz YGEKCICPWFIVKX-QMMMGPOBSA-N 1 2 240.307 0.446 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000631413104 344151695 /nfs/dbraw/zinc/15/16/95/344151695.db2.gz AECBXOWXNGBMLP-KHQFGBGNSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000631413104 344151697 /nfs/dbraw/zinc/15/16/97/344151697.db2.gz AECBXOWXNGBMLP-KHQFGBGNSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000631413107 344152568 /nfs/dbraw/zinc/15/25/68/344152568.db2.gz AECBXOWXNGBMLP-WEDXCCLWSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000631413107 344152569 /nfs/dbraw/zinc/15/25/69/344152569.db2.gz AECBXOWXNGBMLP-WEDXCCLWSA-N 1 2 223.276 0.839 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754206 344207587 /nfs/dbraw/zinc/20/75/87/344207587.db2.gz WYEXYRYEMOGBMJ-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754206 344207589 /nfs/dbraw/zinc/20/75/89/344207589.db2.gz WYEXYRYEMOGBMJ-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO CC(C)N1C[C@@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641331750 362366942 /nfs/dbraw/zinc/36/69/42/362366942.db2.gz PZSOBECCZXICEG-NSHDSACASA-N 1 2 249.314 0.995 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C(F)F)CC1)NC1CC1 ZINC000634749751 344193217 /nfs/dbraw/zinc/19/32/17/344193217.db2.gz DQWWAWKROQNHOJ-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C(F)F)CC1)NC1CC1 ZINC000634749751 344193218 /nfs/dbraw/zinc/19/32/18/344193218.db2.gz DQWWAWKROQNHOJ-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC[C@@H](CO)C3)c2C1 ZINC000408213045 344248582 /nfs/dbraw/zinc/24/85/82/344248582.db2.gz CALJQDYAMWORPF-SNVBAGLBSA-N 1 2 248.330 0.283 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CC[C@@H](CO)C3)c2C1 ZINC000408213045 344248584 /nfs/dbraw/zinc/24/85/84/344248584.db2.gz CALJQDYAMWORPF-SNVBAGLBSA-N 1 2 248.330 0.283 20 0 BCADLO CCc1nnc(C[N@H+](C)C2CC(O)C2)o1 ZINC000408213561 344249733 /nfs/dbraw/zinc/24/97/33/344249733.db2.gz BVDHVQVHDZFZSN-UHFFFAOYSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2CC(O)C2)o1 ZINC000408213561 344249737 /nfs/dbraw/zinc/24/97/37/344249737.db2.gz BVDHVQVHDZFZSN-UHFFFAOYSA-N 1 2 211.265 0.587 20 0 BCADLO CN(CCn1cccn1)c1cc(CO)cc[nH+]1 ZINC000641368116 362379101 /nfs/dbraw/zinc/37/91/01/362379101.db2.gz SAYCFKWDQIRZCG-UHFFFAOYSA-N 1 2 232.287 0.907 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)[nH]n1 ZINC000054777326 344310909 /nfs/dbraw/zinc/31/09/09/344310909.db2.gz HSBGBNUWMJWWGE-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000385078789 344317505 /nfs/dbraw/zinc/31/75/05/344317505.db2.gz FVHCECYHQZQRNH-VHSXEESVSA-N 1 2 223.276 0.255 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000672545296 488258607 /nfs/dbraw/zinc/25/86/07/488258607.db2.gz LPATZVMAYQOSQX-WCBMZHEXSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000672545296 488258608 /nfs/dbraw/zinc/25/86/08/488258608.db2.gz LPATZVMAYQOSQX-WCBMZHEXSA-N 1 2 224.308 0.579 20 0 BCADLO CC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133607030 344320117 /nfs/dbraw/zinc/32/01/17/344320117.db2.gz LDTXZOQFMIDQFS-SECBINFHSA-N 1 2 215.293 0.833 20 0 BCADLO Cc1nc(NC[C@]2(CCO)CCOC2)cc[nH+]1 ZINC000131673920 344322846 /nfs/dbraw/zinc/32/28/46/344322846.db2.gz OEIDRWOKQCQCPK-LBPRGKRZSA-N 1 2 237.303 0.986 20 0 BCADLO CCC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OCC ZINC000600612871 344336645 /nfs/dbraw/zinc/33/66/45/344336645.db2.gz QDCHDMUNIXKKPP-OPRDCNLKSA-N 1 2 242.319 0.572 20 0 BCADLO CN1C[C@@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641384141 362384592 /nfs/dbraw/zinc/38/45/92/362384592.db2.gz FTJFZIXNPQMGRK-ZETCQYMHSA-N 1 2 209.224 0.285 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NC1CC=CC1 ZINC000641381528 362384696 /nfs/dbraw/zinc/38/46/96/362384696.db2.gz PFRGXNSLGQHUQE-UHFFFAOYSA-N 1 2 241.316 0.521 20 0 BCADLO NC(=O)C[N@H+](Cc1ccno1)C1CCCC1 ZINC000600625030 344342918 /nfs/dbraw/zinc/34/29/18/344342918.db2.gz HMLBAUNEATYWKZ-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccno1)C1CCCC1 ZINC000600625030 344342920 /nfs/dbraw/zinc/34/29/20/344342920.db2.gz HMLBAUNEATYWKZ-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO COC[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641370594 362379776 /nfs/dbraw/zinc/37/97/76/362379776.db2.gz FRRIHQYFSJLQHN-SNVBAGLBSA-N 1 2 214.240 0.452 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000600634336 344347219 /nfs/dbraw/zinc/34/72/19/344347219.db2.gz LBBIMALNTRWGRJ-GXSJLCMTSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000600634336 344347221 /nfs/dbraw/zinc/34/72/21/344347221.db2.gz LBBIMALNTRWGRJ-GXSJLCMTSA-N 1 2 235.287 0.329 20 0 BCADLO CCOC(=O)C[C@@H](O)COc1cc[nH+]cc1 ZINC000600672352 344352666 /nfs/dbraw/zinc/35/26/66/344352666.db2.gz HHCLOAPMHXIJHJ-SECBINFHSA-N 1 2 225.244 0.775 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]nc1C ZINC000093050826 344307823 /nfs/dbraw/zinc/30/78/23/344307823.db2.gz NRXVHTRTHYAEGK-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]nc1C ZINC000093050826 344307825 /nfs/dbraw/zinc/30/78/25/344307825.db2.gz NRXVHTRTHYAEGK-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CN(c1cc[nH+]cc1F)[C@@H]1CCN(C)C1=O ZINC000641385135 362386005 /nfs/dbraw/zinc/38/60/05/362386005.db2.gz LAKSPOWNLHVPMQ-SNVBAGLBSA-N 1 2 223.251 0.888 20 0 BCADLO CCC(F)(F)C[NH2+]CCC(=O)NC(N)=O ZINC000600761547 344369843 /nfs/dbraw/zinc/36/98/43/344369843.db2.gz KWLDUZWPICAJLM-UHFFFAOYSA-N 1 2 223.223 0.206 20 0 BCADLO CN(c1cc(CO)cc[nH+]1)[C@@H]1CCN(C)C1=O ZINC000641385758 362386605 /nfs/dbraw/zinc/38/66/05/362386605.db2.gz RYWUICKOVBMBAM-SNVBAGLBSA-N 1 2 235.287 0.241 20 0 BCADLO CN1C[C@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641385930 362386780 /nfs/dbraw/zinc/38/67/80/362386780.db2.gz WXWUHIUPMFZXKP-SECBINFHSA-N 1 2 221.260 0.217 20 0 BCADLO CC[C@H](C(=O)NCc1c[nH+]cn1C)C(=O)OC ZINC000291225214 349910928 /nfs/dbraw/zinc/91/09/28/349910928.db2.gz NGIKBAKCFPJAGT-SECBINFHSA-N 1 2 239.275 0.236 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NCCCF ZINC000641386031 362387245 /nfs/dbraw/zinc/38/72/45/362387245.db2.gz VTDQUUXZTRDYBG-UHFFFAOYSA-N 1 2 235.284 0.162 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ncc(C)o2)CC1 ZINC000096784866 344381547 /nfs/dbraw/zinc/38/15/47/344381547.db2.gz XPARVLDMLIOUBB-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CCc1nsc(N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000634802169 344385142 /nfs/dbraw/zinc/38/51/42/344385142.db2.gz ZHVZMNAPSBIZAD-MRVPVSSYSA-N 1 2 242.348 0.213 20 0 BCADLO CCc1nsc(N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC000634802169 344385144 /nfs/dbraw/zinc/38/51/44/344385144.db2.gz ZHVZMNAPSBIZAD-MRVPVSSYSA-N 1 2 242.348 0.213 20 0 BCADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2OC)C[C@@H]1O ZINC000399894084 344402558 /nfs/dbraw/zinc/40/25/58/344402558.db2.gz ZMASMDDYABSRHQ-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2OC)C[C@@H]1O ZINC000399894084 344402560 /nfs/dbraw/zinc/40/25/60/344402560.db2.gz ZMASMDDYABSRHQ-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@H]1CN(c2nc[nH+]c(N)c2OC)C[C@H]1O ZINC000399894083 344402571 /nfs/dbraw/zinc/40/25/71/344402571.db2.gz ZMASMDDYABSRHQ-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc(N)c2OC)C[C@H]1O ZINC000399894083 344402574 /nfs/dbraw/zinc/40/25/74/344402574.db2.gz ZMASMDDYABSRHQ-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000684069107 488259637 /nfs/dbraw/zinc/25/96/37/488259637.db2.gz HMDNKKVNUQVDAD-UTUOFQBUSA-N 1 2 240.347 0.822 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000104134502 344454063 /nfs/dbraw/zinc/45/40/63/344454063.db2.gz PUWAZKZWHUZRAC-SNVBAGLBSA-N 1 2 234.303 0.374 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000104134502 344454065 /nfs/dbraw/zinc/45/40/65/344454065.db2.gz PUWAZKZWHUZRAC-SNVBAGLBSA-N 1 2 234.303 0.374 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000622309438 344490871 /nfs/dbraw/zinc/49/08/71/344490871.db2.gz QSLFSJSHZSKQNT-ZJUUUORDSA-N 1 2 225.292 0.549 20 0 BCADLO Cn1c[nH+]c(CSc2nnnn2C)c1 ZINC000641409362 362401087 /nfs/dbraw/zinc/40/10/87/362401087.db2.gz OGTOVTMTMXNFRF-UHFFFAOYSA-N 1 2 210.266 0.236 20 0 BCADLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000306928133 344518677 /nfs/dbraw/zinc/51/86/77/344518677.db2.gz WWHZOPXGTKWKIY-RQJHMYQMSA-N 1 2 213.310 0.051 20 0 BCADLO Clc1cncc(NCC[NH+]2CCOCC2)n1 ZINC000043534405 344526904 /nfs/dbraw/zinc/52/69/04/344526904.db2.gz IYLQWAIBOVHCGS-UHFFFAOYSA-N 1 2 242.710 0.874 20 0 BCADLO CCc1nc(C[NH2+]CC(=O)NC)cs1 ZINC000043606532 344529557 /nfs/dbraw/zinc/52/95/57/344529557.db2.gz JXWUAARNNHYCJI-UHFFFAOYSA-N 1 2 213.306 0.541 20 0 BCADLO C[C@H](O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000044180009 344536438 /nfs/dbraw/zinc/53/64/38/344536438.db2.gz PURYCGRBDZBJCA-NSHDSACASA-N 1 2 212.337 0.785 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cnn(C)c1 ZINC000044500269 344540775 /nfs/dbraw/zinc/54/07/75/344540775.db2.gz WONIPYRVZDDNSD-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCOCC1 ZINC000370903610 344553158 /nfs/dbraw/zinc/55/31/58/344553158.db2.gz WASIPENHSUPKJG-JTQLQIEISA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCOCC1 ZINC000370903610 344553160 /nfs/dbraw/zinc/55/31/60/344553160.db2.gz WASIPENHSUPKJG-JTQLQIEISA-N 1 2 249.314 0.810 20 0 BCADLO OC[C@H]1C[C@H](O)CN1c1cc[nH+]cc1F ZINC000641466612 362439664 /nfs/dbraw/zinc/43/96/64/362439664.db2.gz YQJDGDMBFKQAME-SFYZADRCSA-N 1 2 212.224 0.153 20 0 BCADLO CCCC[N@H+](CCO)Cc1nc(C)no1 ZINC000047868513 344582578 /nfs/dbraw/zinc/58/25/78/344582578.db2.gz JOPCHBARFMBFPS-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nc(C)no1 ZINC000047868513 344582579 /nfs/dbraw/zinc/58/25/79/344582579.db2.gz JOPCHBARFMBFPS-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO OCc1cc[nH+]c(NCCc2nnc[nH]2)c1 ZINC000641433640 362415484 /nfs/dbraw/zinc/41/54/84/362415484.db2.gz FKLGVQFTOZRZCG-UHFFFAOYSA-N 1 2 219.248 0.347 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1c1cc[nH+]cc1F ZINC000641438605 362418603 /nfs/dbraw/zinc/41/86/03/362418603.db2.gz DXVZEQMVLRMZMQ-BDAKNGLRSA-N 1 2 226.251 0.807 20 0 BCADLO O=C1C[C@@]2(CCN(c3cc[nH+]cc3F)C2)CN1 ZINC000641544596 362492172 /nfs/dbraw/zinc/49/21/72/362492172.db2.gz ZKMSQBOOEDHSNW-LBPRGKRZSA-N 1 2 235.262 0.937 20 0 BCADLO CC[C@@H]1CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641507557 362468869 /nfs/dbraw/zinc/46/88/69/362468869.db2.gz KWTJFMMSAXRWSX-SNVBAGLBSA-N 1 2 243.332 0.697 20 0 BCADLO C[C@@H](Nc1cc[nH+]cc1F)c1ncn(C)n1 ZINC000641518530 362471802 /nfs/dbraw/zinc/47/18/02/362471802.db2.gz FVRGBJRCILMDST-SSDOTTSWSA-N 1 2 221.239 0.944 20 0 BCADLO CC/C=C\CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641520472 362478145 /nfs/dbraw/zinc/47/81/45/362478145.db2.gz GQXQCCBRRWPWCV-ARJAWSKDSA-N 1 2 243.332 0.769 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000625999573 344661244 /nfs/dbraw/zinc/66/12/44/344661244.db2.gz WWXLIHKUEMWMAF-SNVBAGLBSA-N 1 2 232.299 0.571 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000625999573 344661245 /nfs/dbraw/zinc/66/12/45/344661245.db2.gz WWXLIHKUEMWMAF-SNVBAGLBSA-N 1 2 232.299 0.571 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000134 344661823 /nfs/dbraw/zinc/66/18/23/344661823.db2.gz JVXHWKFPKYMHJB-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000134 344661826 /nfs/dbraw/zinc/66/18/26/344661826.db2.gz JVXHWKFPKYMHJB-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO FCC[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000626002561 344662957 /nfs/dbraw/zinc/66/29/57/344662957.db2.gz PXWHJHNVVYEFPV-GFCCVEGCSA-N 1 2 246.326 0.379 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626003080 344663874 /nfs/dbraw/zinc/66/38/74/344663874.db2.gz ZNABQJOIVXISRQ-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626003080 344663876 /nfs/dbraw/zinc/66/38/76/344663876.db2.gz ZNABQJOIVXISRQ-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)CCO)cs1 ZINC000049633879 344671423 /nfs/dbraw/zinc/67/14/23/344671423.db2.gz UMMYRTAFRSWXBW-UHFFFAOYSA-N 1 2 229.305 0.526 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)CCO)cs1 ZINC000049633879 344671425 /nfs/dbraw/zinc/67/14/25/344671425.db2.gz UMMYRTAFRSWXBW-UHFFFAOYSA-N 1 2 229.305 0.526 20 0 BCADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCO ZINC000626018135 344674550 /nfs/dbraw/zinc/67/45/50/344674550.db2.gz SKJILTAMZYMBQJ-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCO ZINC000626018135 344674553 /nfs/dbraw/zinc/67/45/53/344674553.db2.gz SKJILTAMZYMBQJ-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO NC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026086 344679228 /nfs/dbraw/zinc/67/92/28/344679228.db2.gz VUIOCGXGAYIAFF-UHFFFAOYSA-N 1 2 206.245 0.236 20 0 BCADLO NC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026086 344679230 /nfs/dbraw/zinc/67/92/30/344679230.db2.gz VUIOCGXGAYIAFF-UHFFFAOYSA-N 1 2 206.245 0.236 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000049372450 344639665 /nfs/dbraw/zinc/63/96/65/344639665.db2.gz RVGGFDCOBNQLGM-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)OCC ZINC000050067223 344719319 /nfs/dbraw/zinc/71/93/19/344719319.db2.gz XUKVIPIKZPPVIS-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000050067223 344719322 /nfs/dbraw/zinc/71/93/22/344719322.db2.gz XUKVIPIKZPPVIS-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000626077598 344722702 /nfs/dbraw/zinc/72/27/02/344722702.db2.gz NIJWXFYJKDSBPM-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626077598 344722704 /nfs/dbraw/zinc/72/27/04/344722704.db2.gz NIJWXFYJKDSBPM-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)on1 ZINC000626076490 344723038 /nfs/dbraw/zinc/72/30/38/344723038.db2.gz NYHDABFPLTUQBI-SECBINFHSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)on1 ZINC000626076490 344723039 /nfs/dbraw/zinc/72/30/39/344723039.db2.gz NYHDABFPLTUQBI-SECBINFHSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076984 344723886 /nfs/dbraw/zinc/72/38/86/344723886.db2.gz AKSJWYLALAJKLS-NSHDSACASA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccnc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076984 344723888 /nfs/dbraw/zinc/72/38/88/344723888.db2.gz AKSJWYLALAJKLS-NSHDSACASA-N 1 2 249.314 0.466 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000626078590 344725121 /nfs/dbraw/zinc/72/51/21/344725121.db2.gz KMHAHXTZKKIHOI-SECBINFHSA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000626078590 344725123 /nfs/dbraw/zinc/72/51/23/344725123.db2.gz KMHAHXTZKKIHOI-SECBINFHSA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000626080617 344725820 /nfs/dbraw/zinc/72/58/20/344725820.db2.gz MBCAOLVHOWQIEX-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000626080617 344725823 /nfs/dbraw/zinc/72/58/23/344725823.db2.gz MBCAOLVHOWQIEX-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO COC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000128059454 344728460 /nfs/dbraw/zinc/72/84/60/344728460.db2.gz YBTQQWYJZHBEQM-RKDXNWHRSA-N 1 2 233.308 0.171 20 0 BCADLO CN(Cc1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861435 530017644 /nfs/dbraw/zinc/01/76/44/530017644.db2.gz JMOKTQBNGVNPIY-ARJAWSKDSA-N 1 2 245.286 0.815 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000626039245 344691528 /nfs/dbraw/zinc/69/15/28/344691528.db2.gz VXSDBZKGVSDCTA-OCAPTIKFSA-N 1 2 240.332 0.542 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000626039245 344691530 /nfs/dbraw/zinc/69/15/30/344691530.db2.gz VXSDBZKGVSDCTA-OCAPTIKFSA-N 1 2 240.332 0.542 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)n1 ZINC000626046920 344698721 /nfs/dbraw/zinc/69/87/21/344698721.db2.gz XAEAYUMGEHHWPG-DTORHVGOSA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)n1 ZINC000626046920 344698724 /nfs/dbraw/zinc/69/87/24/344698724.db2.gz XAEAYUMGEHHWPG-DTORHVGOSA-N 1 2 240.307 0.338 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000049956461 344704156 /nfs/dbraw/zinc/70/41/56/344704156.db2.gz ACTPUXAONPLEGN-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC000049956461 344704157 /nfs/dbraw/zinc/70/41/57/344704157.db2.gz ACTPUXAONPLEGN-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCOC(=O)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000082290079 344716773 /nfs/dbraw/zinc/71/67/73/344716773.db2.gz AZAYMBYMCHWEFY-QMMMGPOBSA-N 1 2 239.275 0.551 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050050700 344717869 /nfs/dbraw/zinc/71/78/69/344717869.db2.gz TZZPYKVLLFQPEE-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050050700 344717871 /nfs/dbraw/zinc/71/78/71/344717871.db2.gz TZZPYKVLLFQPEE-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CN1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000493710698 530061357 /nfs/dbraw/zinc/06/13/57/530061357.db2.gz COQWWQOUGBVENF-LWTINBJPSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1 ZINC000075636857 344781648 /nfs/dbraw/zinc/78/16/48/344781648.db2.gz YEZACMHPJPLFKD-NSHDSACASA-N 1 2 234.299 0.886 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1 ZINC000075636857 344781650 /nfs/dbraw/zinc/78/16/50/344781650.db2.gz YEZACMHPJPLFKD-NSHDSACASA-N 1 2 234.299 0.886 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075637117 344782320 /nfs/dbraw/zinc/78/23/20/344782320.db2.gz FREUIOPDMRWBPU-VIFPVBQESA-N 1 2 247.298 0.106 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075637117 344782323 /nfs/dbraw/zinc/78/23/23/344782323.db2.gz FREUIOPDMRWBPU-VIFPVBQESA-N 1 2 247.298 0.106 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)n1cccn1 ZINC000075848806 344785463 /nfs/dbraw/zinc/78/54/63/344785463.db2.gz VKCYTAKGRBCDDS-QWRGUYRKSA-N 1 2 247.302 0.846 20 0 BCADLO NC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832623 344792748 /nfs/dbraw/zinc/79/27/48/344792748.db2.gz WDIDUZSSURDNIL-UHFFFAOYSA-N 1 2 212.293 0.507 20 0 BCADLO NC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832623 344792751 /nfs/dbraw/zinc/79/27/51/344792751.db2.gz WDIDUZSSURDNIL-UHFFFAOYSA-N 1 2 212.293 0.507 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1cncn1 ZINC000076812563 344806877 /nfs/dbraw/zinc/80/68/77/344806877.db2.gz GYRITNHDDVDCGM-KCWFYHRYSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1cncn1 ZINC000076812563 344806878 /nfs/dbraw/zinc/80/68/78/344806878.db2.gz GYRITNHDDVDCGM-KCWFYHRYSA-N 1 2 242.348 0.119 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000076730324 344809050 /nfs/dbraw/zinc/80/90/50/344809050.db2.gz SRBCKFGLXNFWFH-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000076730324 344809051 /nfs/dbraw/zinc/80/90/51/344809051.db2.gz SRBCKFGLXNFWFH-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000076730818 344809060 /nfs/dbraw/zinc/80/90/60/344809060.db2.gz SRBCKFGLXNFWFH-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000076730818 344809063 /nfs/dbraw/zinc/80/90/63/344809063.db2.gz SRBCKFGLXNFWFH-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000037782781 187293496 /nfs/dbraw/zinc/29/34/96/187293496.db2.gz IXJPSEDPDICDSD-VIFPVBQESA-N 1 2 236.319 0.819 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000048776044 187293827 /nfs/dbraw/zinc/29/38/27/187293827.db2.gz GVAAAWZDKCCAPN-SNVBAGLBSA-N 1 2 222.288 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000048776044 187293829 /nfs/dbraw/zinc/29/38/29/187293829.db2.gz GVAAAWZDKCCAPN-SNVBAGLBSA-N 1 2 222.288 0.665 20 0 BCADLO Cc1c[nH]c(CN2CCN3C(=O)CC[C@H]3C2)[nH+]1 ZINC000628159147 344854899 /nfs/dbraw/zinc/85/48/99/344854899.db2.gz IOQDORKWWZBINX-JTQLQIEISA-N 1 2 234.303 0.525 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000628169621 344884518 /nfs/dbraw/zinc/88/45/18/344884518.db2.gz GNYOSQSWTOHJLD-LLVKDONJSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000628169621 344884519 /nfs/dbraw/zinc/88/45/19/344884519.db2.gz GNYOSQSWTOHJLD-LLVKDONJSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2cnc[nH]2)no1 ZINC000583396846 344889339 /nfs/dbraw/zinc/88/93/39/344889339.db2.gz JBHLFCOWGKFEKL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2cnc[nH]2)no1 ZINC000583396846 344889342 /nfs/dbraw/zinc/88/93/42/344889342.db2.gz JBHLFCOWGKFEKL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2c[nH]cn2)no1 ZINC000583396846 344889343 /nfs/dbraw/zinc/88/93/43/344889343.db2.gz JBHLFCOWGKFEKL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2c[nH]cn2)no1 ZINC000583396846 344889346 /nfs/dbraw/zinc/88/93/46/344889346.db2.gz JBHLFCOWGKFEKL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO CCn1ncnc1CNc1cc[nH+]cc1F ZINC000641548374 362496083 /nfs/dbraw/zinc/49/60/83/362496083.db2.gz ZPSSMYFNMMVRBG-UHFFFAOYSA-N 1 2 221.239 0.866 20 0 BCADLO C[C@@H](CC(=O)NCc1c[nH+]cn1C)n1cccn1 ZINC000424819753 192081764 /nfs/dbraw/zinc/08/17/64/192081764.db2.gz AUIASHMUMTUMMN-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628180039 344916080 /nfs/dbraw/zinc/91/60/80/344916080.db2.gz ZKOONKRHRWBNJE-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628180039 344916082 /nfs/dbraw/zinc/91/60/82/344916082.db2.gz ZKOONKRHRWBNJE-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H]2CCN(C)C2=O)[nH+]1 ZINC000628180871 344918946 /nfs/dbraw/zinc/91/89/46/344918946.db2.gz IAPLODQCLNHPLN-SECBINFHSA-N 1 2 222.292 0.381 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1cc[nH+]cc1F ZINC000641550872 362496586 /nfs/dbraw/zinc/49/65/86/362496586.db2.gz YLJMVXQGKLYAGL-MRVPVSSYSA-N 1 2 225.267 0.921 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000363491179 344961220 /nfs/dbraw/zinc/96/12/20/344961220.db2.gz SURXQHDJMBOVCH-BDAKNGLRSA-N 1 2 211.265 0.977 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000363491179 344961224 /nfs/dbraw/zinc/96/12/24/344961224.db2.gz SURXQHDJMBOVCH-BDAKNGLRSA-N 1 2 211.265 0.977 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](CO)OC[C@@H]2C)[nH+]1 ZINC000628191034 344944248 /nfs/dbraw/zinc/94/42/48/344944248.db2.gz XRNSWFQDRNZNQA-VHSXEESVSA-N 1 2 225.292 0.300 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154077325 345011205 /nfs/dbraw/zinc/01/12/05/345011205.db2.gz NXUJKYWYCQXPCT-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154077325 345011207 /nfs/dbraw/zinc/01/12/07/345011207.db2.gz NXUJKYWYCQXPCT-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/C1CC1 ZINC000079562359 344993466 /nfs/dbraw/zinc/99/34/66/344993466.db2.gz NXIZCTXQDNTAFI-SGUJLRQBSA-N 1 2 238.331 0.790 20 0 BCADLO NC(=O)C1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000641555777 362500083 /nfs/dbraw/zinc/50/00/83/362500083.db2.gz SEZCUFLGYHMTSH-UHFFFAOYSA-N 1 2 239.250 0.037 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000226771466 345005034 /nfs/dbraw/zinc/00/50/34/345005034.db2.gz QMPKSBZHBTTWLP-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000226771466 345005035 /nfs/dbraw/zinc/00/50/35/345005035.db2.gz QMPKSBZHBTTWLP-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cn1 ZINC000154029556 345008560 /nfs/dbraw/zinc/00/85/60/345008560.db2.gz BEKPZZJKRFVHHC-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cn1 ZINC000154029556 345008564 /nfs/dbraw/zinc/00/85/64/345008564.db2.gz BEKPZZJKRFVHHC-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000641588416 362529840 /nfs/dbraw/zinc/52/98/40/362529840.db2.gz PCOSGWGOCNLDNW-ZWNOBZJWSA-N 1 2 243.266 0.541 20 0 BCADLO CC(C)(CNc1cc[nH+]cc1F)OCCO ZINC000641598535 362538556 /nfs/dbraw/zinc/53/85/56/362538556.db2.gz MEOHQOXXPURITJ-UHFFFAOYSA-N 1 2 228.267 0.842 20 0 BCADLO OCc1cc[nH+]c(N2CCO[C@@H]3C[C@@H]32)c1 ZINC000641605771 362542376 /nfs/dbraw/zinc/54/23/76/362542376.db2.gz LPJQOEKPMUJSQV-VHSXEESVSA-N 1 2 206.245 0.551 20 0 BCADLO OC[C@H]1[C@@H]2CN(c3cc[nH+]cc3F)C[C@H]12 ZINC000641607661 362544443 /nfs/dbraw/zinc/54/44/43/362544443.db2.gz WRQNWVNUBHHRIK-BRPSZJMVSA-N 1 2 208.236 0.895 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641640734 362570118 /nfs/dbraw/zinc/57/01/18/362570118.db2.gz RBDLSHUMLPWJDA-JTQLQIEISA-N 1 2 235.287 0.146 20 0 BCADLO CNc1ncccc1C[NH+]1CCOCC1 ZINC000052709761 187301032 /nfs/dbraw/zinc/30/10/32/187301032.db2.gz BAJPJTZCQHDJBZ-UHFFFAOYSA-N 1 2 207.277 0.956 20 0 BCADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@H]2O)c1 ZINC000641627150 362556354 /nfs/dbraw/zinc/55/63/54/362556354.db2.gz LFABMZNSKGYWLO-NXEZZACHSA-N 1 2 208.261 0.899 20 0 BCADLO OC[C@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641626673 362556729 /nfs/dbraw/zinc/55/67/29/362556729.db2.gz DGYZDVSEKAHBEF-NSHDSACASA-N 1 2 226.251 0.544 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641628911 362558562 /nfs/dbraw/zinc/55/85/62/362558562.db2.gz VHJGIXRVFIBPLK-OIBJUYFYSA-N 1 2 212.224 0.010 20 0 BCADLO O=C1C[C@H](CNc2cc[nH+]cc2F)CN1 ZINC000641631513 362563199 /nfs/dbraw/zinc/56/31/99/362563199.db2.gz DQVUHNTWSCKUMW-SSDOTTSWSA-N 1 2 209.224 0.191 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641632922 362563786 /nfs/dbraw/zinc/56/37/86/362563786.db2.gz ONDSNYCPRHTGGN-MNOVXSKESA-N 1 2 240.303 0.508 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641638286 362566548 /nfs/dbraw/zinc/56/65/48/362566548.db2.gz BFZBQELJFJRJCU-NSHDSACASA-N 1 2 235.287 0.289 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2ccon2)C[C@@H]2CCCCN12 ZINC000634983167 345161985 /nfs/dbraw/zinc/16/19/85/345161985.db2.gz HEGPZICAHGLIPP-QWRGUYRKSA-N 1 2 235.287 0.918 20 0 BCADLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccon1 ZINC000634982788 345163933 /nfs/dbraw/zinc/16/39/33/345163933.db2.gz VQVXAULXACKJPL-QMMMGPOBSA-N 1 2 247.320 0.092 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156109785 345125450 /nfs/dbraw/zinc/12/54/50/345125450.db2.gz YDAWYCWAJGBHTO-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156109785 345125451 /nfs/dbraw/zinc/12/54/51/345125451.db2.gz YDAWYCWAJGBHTO-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CO[C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000561570126 345136505 /nfs/dbraw/zinc/13/65/05/345136505.db2.gz GIQBQMPCPPNELD-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1ccon1 ZINC000634966868 345140143 /nfs/dbraw/zinc/14/01/43/345140143.db2.gz AKEIEVZTLGLDMV-VIFPVBQESA-N 1 2 200.238 0.162 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccon1 ZINC000634977962 345154810 /nfs/dbraw/zinc/15/48/10/345154810.db2.gz PLRAEDNIPQRZBK-MRVPVSSYSA-N 1 2 211.265 0.631 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635060220 345230305 /nfs/dbraw/zinc/23/03/05/345230305.db2.gz UTBXAKCCBOFKHF-IVZWLZJFSA-N 1 2 235.287 0.808 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635060220 345230306 /nfs/dbraw/zinc/23/03/06/345230306.db2.gz UTBXAKCCBOFKHF-IVZWLZJFSA-N 1 2 235.287 0.808 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635077496 345241492 /nfs/dbraw/zinc/24/14/92/345241492.db2.gz KKAZABAUPHPNKX-DJLDLDEBSA-N 1 2 223.276 0.664 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635077496 345241494 /nfs/dbraw/zinc/24/14/94/345241494.db2.gz KKAZABAUPHPNKX-DJLDLDEBSA-N 1 2 223.276 0.664 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)s1 ZINC000381291937 345252407 /nfs/dbraw/zinc/25/24/07/345252407.db2.gz DLFWIDLUFJAIJY-HZGVNTEJSA-N 1 2 240.332 0.461 20 0 BCADLO O=S1CC[NH+](CCCCCO)CC1 ZINC000051019975 345194506 /nfs/dbraw/zinc/19/45/06/345194506.db2.gz VVYTVRQHDQSRSB-UHFFFAOYSA-N 1 2 205.323 0.213 20 0 BCADLO CC(C)C[C@H](C(=O)NCC(N)=O)n1cc[nH+]c1 ZINC000635211271 345273365 /nfs/dbraw/zinc/27/33/65/345273365.db2.gz DKWOOAXEAYTHKU-SECBINFHSA-N 1 2 238.291 0.072 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)CO)[nH+]1 ZINC000635250443 345282728 /nfs/dbraw/zinc/28/27/28/345282728.db2.gz WTTCKSZQMAEXIH-SSDOTTSWSA-N 1 2 211.265 0.012 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000158253462 345311815 /nfs/dbraw/zinc/31/18/15/345311815.db2.gz BUOPPHICSOXQJY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000158253462 345311816 /nfs/dbraw/zinc/31/18/16/345311816.db2.gz BUOPPHICSOXQJY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO O=C(NCCn1cccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635419028 345355985 /nfs/dbraw/zinc/35/59/85/345355985.db2.gz MDTCKBCFNAVMNY-NXEZZACHSA-N 1 2 245.286 0.526 20 0 BCADLO O=C(NCCn1cccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635419028 345355988 /nfs/dbraw/zinc/35/59/88/345355988.db2.gz MDTCKBCFNAVMNY-NXEZZACHSA-N 1 2 245.286 0.526 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CCC(C)(C)O ZINC000562349740 345359219 /nfs/dbraw/zinc/35/92/19/345359219.db2.gz ZSJLTNMZRHOKNX-UHFFFAOYSA-N 1 2 239.319 0.630 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCSC1 ZINC000080638384 345377388 /nfs/dbraw/zinc/37/73/88/345377388.db2.gz CWORHRSKPVCLSR-VIFPVBQESA-N 1 2 240.332 0.688 20 0 BCADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Cn1cc[nH+]c1 ZINC000569639974 345378998 /nfs/dbraw/zinc/37/89/98/345378998.db2.gz PDHCGUGTGQSICK-LLVKDONJSA-N 1 2 247.302 0.532 20 0 BCADLO C[C@H](CNC(=O)Cn1ccnc1)Cn1cc[nH+]c1 ZINC000569639974 345379003 /nfs/dbraw/zinc/37/90/03/345379003.db2.gz PDHCGUGTGQSICK-LLVKDONJSA-N 1 2 247.302 0.532 20 0 BCADLO CC(F)(F)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000307321773 345452717 /nfs/dbraw/zinc/45/27/17/345452717.db2.gz QZGSFOUYGODACX-ZETCQYMHSA-N 1 2 227.276 0.808 20 0 BCADLO C[C@H]([NH2+]Cc1csnn1)C(=O)N1CCCC1 ZINC000159260530 345420260 /nfs/dbraw/zinc/42/02/60/345420260.db2.gz IAWDJYWIZILPGT-QMMMGPOBSA-N 1 2 240.332 0.639 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC[C@@H](O)C1 ZINC000574893731 345437417 /nfs/dbraw/zinc/43/74/17/345437417.db2.gz MRCCQHSOIIOLER-KXUCPTDWSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC[C@@H](O)C1 ZINC000574893731 345437419 /nfs/dbraw/zinc/43/74/19/345437419.db2.gz MRCCQHSOIIOLER-KXUCPTDWSA-N 1 2 249.314 0.544 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)[C@@H](C)CO ZINC000159458654 345437462 /nfs/dbraw/zinc/43/74/62/345437462.db2.gz OOYGGGSBSHNYNW-JTQLQIEISA-N 1 2 226.324 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@@H](C)CO ZINC000159458654 345437463 /nfs/dbraw/zinc/43/74/63/345437463.db2.gz OOYGGGSBSHNYNW-JTQLQIEISA-N 1 2 226.324 0.747 20 0 BCADLO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)C(=O)OC ZINC000158979862 345396368 /nfs/dbraw/zinc/39/63/68/345396368.db2.gz BOJKIDTUVUKNRA-ONGXEEELSA-N 1 2 231.292 0.333 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000635497238 345399622 /nfs/dbraw/zinc/39/96/22/345399622.db2.gz XRQKOJPNXVMFQZ-JTQLQIEISA-N 1 2 239.319 0.833 20 0 BCADLO COC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000641675305 362595761 /nfs/dbraw/zinc/59/57/61/362595761.db2.gz NAHZTFWWNZSCCN-UWVGGRQHSA-N 1 2 225.292 0.985 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641661510 362586830 /nfs/dbraw/zinc/58/68/30/362586830.db2.gz VDNQMRRFHPECJH-MWLCHTKSSA-N 1 2 222.288 0.924 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1CO ZINC000641675808 362596719 /nfs/dbraw/zinc/59/67/19/362596719.db2.gz FHQPTDQGMXAMFY-IUCAKERBSA-N 1 2 226.251 0.258 20 0 BCADLO C[C@@H](Nc1cc(C(N)=O)ncn1)c1[nH+]ccn1C ZINC000641665076 362590083 /nfs/dbraw/zinc/59/00/83/362590083.db2.gz QQXRDSBFFHHLQQ-SSDOTTSWSA-N 1 2 246.274 0.482 20 0 BCADLO COC[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000081000736 345458120 /nfs/dbraw/zinc/45/81/20/345458120.db2.gz XONCTWSIBXPQRE-MRVPVSSYSA-N 1 2 236.275 0.686 20 0 BCADLO COC[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000081000735 345458360 /nfs/dbraw/zinc/45/83/60/345458360.db2.gz XONCTWSIBXPQRE-QMMMGPOBSA-N 1 2 236.275 0.686 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCn1cccn1)C1CC1 ZINC000081154123 345463930 /nfs/dbraw/zinc/46/39/30/345463930.db2.gz YGRQSNXUYONBEM-LBPRGKRZSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081436488 345474507 /nfs/dbraw/zinc/47/45/07/345474507.db2.gz PYJFQFNGSPWLCX-VWYCJHECSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081436488 345474511 /nfs/dbraw/zinc/47/45/11/345474511.db2.gz PYJFQFNGSPWLCX-VWYCJHECSA-N 1 2 226.320 0.574 20 0 BCADLO CCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000084015173 345509622 /nfs/dbraw/zinc/50/96/22/345509622.db2.gz NOENENXAWXKJBF-UHFFFAOYSA-N 1 2 212.274 0.794 20 0 BCADLO CCC[N@H+](CC(F)F)CC1(CO)COC1 ZINC000084881688 345527361 /nfs/dbraw/zinc/52/73/61/345527361.db2.gz FULSNKPYZFOKKQ-UHFFFAOYSA-N 1 2 223.263 0.972 20 0 BCADLO CCC[N@@H+](CC(F)F)CC1(CO)COC1 ZINC000084881688 345527364 /nfs/dbraw/zinc/52/73/64/345527364.db2.gz FULSNKPYZFOKKQ-UHFFFAOYSA-N 1 2 223.263 0.972 20 0 BCADLO C[N@H+](CCC(C)(C)O)Cc1nnc2n1CCC2 ZINC000085899560 345535865 /nfs/dbraw/zinc/53/58/65/345535865.db2.gz JMNSOFPSOKUYDR-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO C[N@@H+](CCC(C)(C)O)Cc1nnc2n1CCC2 ZINC000085899560 345535867 /nfs/dbraw/zinc/53/58/67/345535867.db2.gz JMNSOFPSOKUYDR-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO CC(C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000086392618 345537352 /nfs/dbraw/zinc/53/73/52/345537352.db2.gz CJNVPVPYHBBPEW-UHFFFAOYSA-N 1 2 210.281 0.970 20 0 BCADLO CN(Cc1cn[nH]c1)C(=O)CCn1cc[nH+]c1 ZINC000070229706 345544824 /nfs/dbraw/zinc/54/48/24/345544824.db2.gz OZVBMEOTNGEUCX-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000068951137 349931798 /nfs/dbraw/zinc/93/17/98/349931798.db2.gz YWOBLZFXCGXWEW-NXEZZACHSA-N 1 2 233.308 0.171 20 0 BCADLO CCOC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091577661 345598878 /nfs/dbraw/zinc/59/88/78/345598878.db2.gz GHXYBBRRGKHVDK-SECBINFHSA-N 1 2 240.307 0.347 20 0 BCADLO CCOC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091577661 345598880 /nfs/dbraw/zinc/59/88/80/345598880.db2.gz GHXYBBRRGKHVDK-SECBINFHSA-N 1 2 240.307 0.347 20 0 BCADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCC1 ZINC000091622553 345601001 /nfs/dbraw/zinc/60/10/01/345601001.db2.gz BWYNUCURBJAEKY-UHFFFAOYSA-N 1 2 210.281 0.861 20 0 BCADLO O=c1[nH]nc(C[N@@H+](CCO)C2CCCCC2)[nH]1 ZINC000091632279 345602406 /nfs/dbraw/zinc/60/24/06/345602406.db2.gz PQMOEMRTALGBJT-UHFFFAOYSA-N 1 2 240.307 0.225 20 0 BCADLO O=c1[nH]nc(C[N@H+](CCO)C2CCCCC2)[nH]1 ZINC000091632279 345602408 /nfs/dbraw/zinc/60/24/08/345602408.db2.gz PQMOEMRTALGBJT-UHFFFAOYSA-N 1 2 240.307 0.225 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(CO)o1 ZINC000092042062 345614442 /nfs/dbraw/zinc/61/44/42/345614442.db2.gz ZKPNITVGTGHLEZ-JOYOIKCWSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(CO)o1 ZINC000092042062 345614445 /nfs/dbraw/zinc/61/44/45/345614445.db2.gz ZKPNITVGTGHLEZ-JOYOIKCWSA-N 1 2 241.287 0.354 20 0 BCADLO Cc1ncccc1N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000622624945 345616443 /nfs/dbraw/zinc/61/64/43/345616443.db2.gz GMGFCDVGUSOVNK-LBPRGKRZSA-N 1 2 249.314 0.683 20 0 BCADLO Cc1ncccc1N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000622624945 345616445 /nfs/dbraw/zinc/61/64/45/345616445.db2.gz GMGFCDVGUSOVNK-LBPRGKRZSA-N 1 2 249.314 0.683 20 0 BCADLO C[N@H+](CCCOC(=O)NC(N)=O)CC(F)F ZINC000093172044 345657898 /nfs/dbraw/zinc/65/78/98/345657898.db2.gz JUXSAGYFTXRNEO-UHFFFAOYSA-N 1 2 239.222 0.378 20 0 BCADLO C[N@@H+](CCCOC(=O)NC(N)=O)CC(F)F ZINC000093172044 345657901 /nfs/dbraw/zinc/65/79/01/345657901.db2.gz JUXSAGYFTXRNEO-UHFFFAOYSA-N 1 2 239.222 0.378 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093612062 345662057 /nfs/dbraw/zinc/66/20/57/345662057.db2.gz XKHLSOLHEOTGSD-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093612062 345662060 /nfs/dbraw/zinc/66/20/60/345662060.db2.gz XKHLSOLHEOTGSD-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO C[S@](=O)C1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000603367807 349934388 /nfs/dbraw/zinc/93/43/88/349934388.db2.gz BVWJORKQIFOYQY-INIZCTEOSA-N 1 2 240.328 0.897 20 0 BCADLO OCc1cc[nH+]c(N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000641711344 362620758 /nfs/dbraw/zinc/62/07/58/362620758.db2.gz HRGCSISFSQNBCS-MWLCHTKSSA-N 1 2 206.245 0.145 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093323375 345651547 /nfs/dbraw/zinc/65/15/47/345651547.db2.gz GPHPBHMKFOJRHJ-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093323375 345651550 /nfs/dbraw/zinc/65/15/50/345651550.db2.gz GPHPBHMKFOJRHJ-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO O[C@@H](CNc1cc[nH+]cc1F)[C@@H]1CCCO1 ZINC000641678074 362600265 /nfs/dbraw/zinc/60/02/65/362600265.db2.gz PZXKCYUEPHHBPD-QWRGUYRKSA-N 1 2 226.251 0.594 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093334290 345652925 /nfs/dbraw/zinc/65/29/25/345652925.db2.gz MBQUCYNYAAREGK-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093334290 345652926 /nfs/dbraw/zinc/65/29/26/345652926.db2.gz MBQUCYNYAAREGK-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO FC(F)(F)Cn1cc[nH+]c1Cc1nn[nH]n1 ZINC000095251608 345684885 /nfs/dbraw/zinc/68/48/85/345684885.db2.gz UJZHXLWNWSENHJ-UHFFFAOYSA-N 1 2 232.169 0.549 20 0 BCADLO Cc1nc(N)c(CNC(=O)C(C)C)c[nH+]1 ZINC000197945687 345725154 /nfs/dbraw/zinc/72/51/54/345725154.db2.gz OLISAAXRNKPHSF-UHFFFAOYSA-N 1 2 208.265 0.639 20 0 BCADLO CC(C)OC(=O)N(C)CC[NH+]1CCOCC1 ZINC000200171850 345728099 /nfs/dbraw/zinc/72/80/99/345728099.db2.gz RMRALUNGDMXFQH-UHFFFAOYSA-N 1 2 230.308 0.795 20 0 BCADLO Cc1nc(N(C)C)nc(NCC(C)C)[nH+]1 ZINC000389834526 537916335 /nfs/dbraw/zinc/91/63/35/537916335.db2.gz CPHSZGMURVASBJ-UHFFFAOYSA-N 1 2 209.297 0.736 20 0 BCADLO Cc1nc(NCC(C)C)nc(N(C)C)[nH+]1 ZINC000389834526 537916340 /nfs/dbraw/zinc/91/63/40/537916340.db2.gz CPHSZGMURVASBJ-UHFFFAOYSA-N 1 2 209.297 0.736 20 0 BCADLO Cc1nc[nH]c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000635591353 345883709 /nfs/dbraw/zinc/88/37/09/345883709.db2.gz DDTWJYBMQLZSKY-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635632559 345905283 /nfs/dbraw/zinc/90/52/83/345905283.db2.gz ZPAWTOCDTXSFPQ-LNLATYFQSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635632559 345905287 /nfs/dbraw/zinc/90/52/87/345905287.db2.gz ZPAWTOCDTXSFPQ-LNLATYFQSA-N 1 2 237.303 0.790 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000310299227 187312092 /nfs/dbraw/zinc/31/20/92/187312092.db2.gz BEQKRYSKPXVPOP-LBPRGKRZSA-N 1 2 239.319 0.796 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C(C)(C)O)[nH+]1 ZINC000635635946 345910837 /nfs/dbraw/zinc/91/08/37/345910837.db2.gz ROTXTBPIQQLIOC-QMMMGPOBSA-N 1 2 239.319 0.790 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635643173 345918440 /nfs/dbraw/zinc/91/84/40/345918440.db2.gz FDPZVORELCOFOS-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635643173 345918442 /nfs/dbraw/zinc/91/84/42/345918442.db2.gz FDPZVORELCOFOS-OPRDCNLKSA-N 1 2 237.303 0.743 20 0 BCADLO Cc1noc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000631322896 345921337 /nfs/dbraw/zinc/92/13/37/345921337.db2.gz QZUJMVWNMIGIKX-UHFFFAOYSA-N 1 2 247.258 0.615 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)CC1OCCO1 ZINC000182192739 347088866 /nfs/dbraw/zinc/08/88/66/347088866.db2.gz XHJZMWRXXIHIOF-UHFFFAOYSA-N 1 2 225.292 0.615 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)CC1OCCO1 ZINC000182192739 347088867 /nfs/dbraw/zinc/08/88/67/347088867.db2.gz XHJZMWRXXIHIOF-UHFFFAOYSA-N 1 2 225.292 0.615 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185130001 345946046 /nfs/dbraw/zinc/94/60/46/345946046.db2.gz CXYOEKWEYBEVOK-VFZGTOFNSA-N 1 2 234.365 0.211 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185130001 345946047 /nfs/dbraw/zinc/94/60/47/345946047.db2.gz CXYOEKWEYBEVOK-VFZGTOFNSA-N 1 2 234.365 0.211 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)CCO)[nH+]1 ZINC000635693841 345978969 /nfs/dbraw/zinc/97/89/69/345978969.db2.gz CWIADHDZOJDUTO-MRVPVSSYSA-N 1 2 225.292 0.402 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)CO)[nH+]1 ZINC000635691944 345980209 /nfs/dbraw/zinc/98/02/09/345980209.db2.gz KPKDZUSIASKDBH-MRVPVSSYSA-N 1 2 225.292 0.259 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000585716442 345981306 /nfs/dbraw/zinc/98/13/06/345981306.db2.gz HQLGFOBHOJIRIA-MRVPVSSYSA-N 1 2 215.322 0.565 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000585716442 345981310 /nfs/dbraw/zinc/98/13/10/345981310.db2.gz HQLGFOBHOJIRIA-MRVPVSSYSA-N 1 2 215.322 0.565 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000635698023 345986593 /nfs/dbraw/zinc/98/65/93/345986593.db2.gz GPIYEMOCTVVOFL-IUCAKERBSA-N 1 2 239.319 0.648 20 0 BCADLO Cc1cn2ccc(C(=O)NC3(CO)CC3)cc2[nH+]1 ZINC000635730133 346042485 /nfs/dbraw/zinc/04/24/85/346042485.db2.gz HTSIBKWZUAZAAA-UHFFFAOYSA-N 1 2 245.282 0.897 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC(CO)C3)cc2[nH+]1 ZINC000635809170 346073544 /nfs/dbraw/zinc/07/35/44/346073544.db2.gz OELKFJKINDOIMK-UHFFFAOYSA-N 1 2 245.282 0.707 20 0 BCADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1CO ZINC000635839216 346082784 /nfs/dbraw/zinc/08/27/84/346082784.db2.gz ZPNNGPBGLRGIMH-BTQIBKBOSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CO ZINC000635839216 346082785 /nfs/dbraw/zinc/08/27/85/346082785.db2.gz ZPNNGPBGLRGIMH-BTQIBKBOSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635791834 346063653 /nfs/dbraw/zinc/06/36/53/346063653.db2.gz YMZSVUUBJNTSTQ-SGIHWFKDSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635791834 346063657 /nfs/dbraw/zinc/06/36/57/346063657.db2.gz YMZSVUUBJNTSTQ-SGIHWFKDSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635798215 346066796 /nfs/dbraw/zinc/06/67/96/346066796.db2.gz OEGLXKGSSCSEND-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635798215 346066801 /nfs/dbraw/zinc/06/68/01/346066801.db2.gz OEGLXKGSSCSEND-GIPNMCIBSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOC1 ZINC000635986693 346139252 /nfs/dbraw/zinc/13/92/52/346139252.db2.gz RHDSBXSAHRMZQQ-HTQZYQBOSA-N 1 2 207.233 0.330 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOC1 ZINC000635986693 346139253 /nfs/dbraw/zinc/13/92/53/346139253.db2.gz RHDSBXSAHRMZQQ-HTQZYQBOSA-N 1 2 207.233 0.330 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCCOC2)[nH+]1 ZINC000635915014 346108213 /nfs/dbraw/zinc/10/82/13/346108213.db2.gz SDBATXZMZQBWKV-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635991157 346142281 /nfs/dbraw/zinc/14/22/81/346142281.db2.gz WGOVBSVVCXDOOY-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635991157 346142283 /nfs/dbraw/zinc/14/22/83/346142283.db2.gz WGOVBSVVCXDOOY-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@@H](O)C1 ZINC000635917644 346109051 /nfs/dbraw/zinc/10/90/51/346109051.db2.gz HUCVICMZXCNIOE-KKZNHRDASA-N 1 2 235.287 0.085 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(CO)CC1 ZINC000635921346 346114902 /nfs/dbraw/zinc/11/49/02/346114902.db2.gz ITMNBTIASXVDQT-RKDXNWHRSA-N 1 2 235.287 0.497 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(CO)CC1 ZINC000635921346 346114903 /nfs/dbraw/zinc/11/49/03/346114903.db2.gz ITMNBTIASXVDQT-RKDXNWHRSA-N 1 2 235.287 0.497 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1C ZINC000635955255 346119973 /nfs/dbraw/zinc/11/99/73/346119973.db2.gz JGQBDQZOYCZOMB-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1C ZINC000635955255 346119974 /nfs/dbraw/zinc/11/99/74/346119974.db2.gz JGQBDQZOYCZOMB-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635963464 346135020 /nfs/dbraw/zinc/13/50/20/346135020.db2.gz ULSWZHUZTPNRMR-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635963464 346135022 /nfs/dbraw/zinc/13/50/22/346135022.db2.gz ULSWZHUZTPNRMR-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635981889 346146712 /nfs/dbraw/zinc/14/67/12/346146712.db2.gz AGCHJAKLJKRUAQ-LPEHRKFASA-N 1 2 237.303 0.851 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCc1cn(C)c[nH+]1 ZINC000636015119 346155813 /nfs/dbraw/zinc/15/58/13/346155813.db2.gz IZUANTSDOPDKCZ-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO CC(=O)N[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563281593 323107981 /nfs/dbraw/zinc/10/79/81/323107981.db2.gz ABRDUZMNDARPCU-SSDOTTSWSA-N 1 2 238.291 0.286 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000151082327 346214691 /nfs/dbraw/zinc/21/46/91/346214691.db2.gz OTMSXQJXQXBJEF-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000151082327 346214693 /nfs/dbraw/zinc/21/46/93/346214693.db2.gz OTMSXQJXQXBJEF-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO COCCCN(CCO)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628243781 346207305 /nfs/dbraw/zinc/20/73/05/346207305.db2.gz GYYRREZLBKHZSQ-UHFFFAOYSA-N 1 2 241.335 0.857 20 0 BCADLO Cc1c[nH]c(CN(C)CCNC(=O)N(C)C)[nH+]1 ZINC000628232533 346185293 /nfs/dbraw/zinc/18/52/93/346185293.db2.gz BVTNANGNNGGDHJ-UHFFFAOYSA-N 1 2 239.323 0.421 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1[nH]cc(C)[nH+]1 ZINC000628236779 346191389 /nfs/dbraw/zinc/19/13/89/346191389.db2.gz PAMTVRPJRPAQPO-UHFFFAOYSA-N 1 2 234.307 0.869 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000628247163 346214378 /nfs/dbraw/zinc/21/43/78/346214378.db2.gz QHGOVGNZWJZALC-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000628247163 346214380 /nfs/dbraw/zinc/21/43/80/346214380.db2.gz QHGOVGNZWJZALC-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO COCC[N@H+](Cc1nc(C)c[nH]1)[C@@H]1CCOC1 ZINC000628254323 346235136 /nfs/dbraw/zinc/23/51/36/346235136.db2.gz XFVTYHWWCXOGKZ-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+](Cc1nc(C)c[nH]1)[C@@H]1CCOC1 ZINC000628254323 346235139 /nfs/dbraw/zinc/23/51/39/346235139.db2.gz XFVTYHWWCXOGKZ-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO CCCC(=O)NCC(=O)NCc1[nH]c[nH+]c1C ZINC000358591677 168548608 /nfs/dbraw/zinc/54/86/08/168548608.db2.gz PXWKIVXMLPBXKG-UHFFFAOYSA-N 1 2 238.291 0.251 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307943123 346297055 /nfs/dbraw/zinc/29/70/55/346297055.db2.gz FBLGBSJRZBHYFK-YFKPBYRVSA-N 1 2 237.168 0.517 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000641751176 362680047 /nfs/dbraw/zinc/68/00/47/362680047.db2.gz VNKDGOVWUNKKPD-MRVPVSSYSA-N 1 2 247.726 0.479 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@@H](C)CCO)[nH+]1 ZINC000636127939 346328324 /nfs/dbraw/zinc/32/83/24/346328324.db2.gz PEHXBOFLPVJEGK-VIFPVBQESA-N 1 2 239.319 0.744 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C(=O)N1 ZINC000563349028 323119816 /nfs/dbraw/zinc/11/98/16/323119816.db2.gz NMMPXODPMIRABC-SSDOTTSWSA-N 1 2 248.204 0.596 20 0 BCADLO O=C1C[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)C(=O)N1 ZINC000563349028 323119817 /nfs/dbraw/zinc/11/98/17/323119817.db2.gz NMMPXODPMIRABC-SSDOTTSWSA-N 1 2 248.204 0.596 20 0 BCADLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636110657 346322788 /nfs/dbraw/zinc/32/27/88/346322788.db2.gz MWKVKRSSFWMFNK-AXTSPUMRSA-N 1 2 235.287 0.807 20 0 BCADLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636110657 346322790 /nfs/dbraw/zinc/32/27/90/346322790.db2.gz MWKVKRSSFWMFNK-AXTSPUMRSA-N 1 2 235.287 0.807 20 0 BCADLO CC(C)[C@H](O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354057216 187320432 /nfs/dbraw/zinc/32/04/32/187320432.db2.gz RSXDZCGJRDGKCV-LBPRGKRZSA-N 1 2 247.298 0.967 20 0 BCADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636113556 346324280 /nfs/dbraw/zinc/32/42/80/346324280.db2.gz ZHWNERJYOPICSO-DJLDLDEBSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636113556 346324283 /nfs/dbraw/zinc/32/42/83/346324283.db2.gz ZHWNERJYOPICSO-DJLDLDEBSA-N 1 2 248.286 0.160 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000156382308 346368088 /nfs/dbraw/zinc/36/80/88/346368088.db2.gz YZLSHCNFUFVXDX-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000156382308 346368090 /nfs/dbraw/zinc/36/80/90/346368090.db2.gz YZLSHCNFUFVXDX-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000636211868 346355667 /nfs/dbraw/zinc/35/56/67/346355667.db2.gz QQPJQDZMRDNCGN-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ncccn1 ZINC000332967520 537970363 /nfs/dbraw/zinc/97/03/63/537970363.db2.gz GVKYJNNOEIQPCR-ZJUUUORDSA-N 1 2 232.287 0.330 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ncccn1 ZINC000332967520 537970369 /nfs/dbraw/zinc/97/03/69/537970369.db2.gz GVKYJNNOEIQPCR-ZJUUUORDSA-N 1 2 232.287 0.330 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000636252848 346369684 /nfs/dbraw/zinc/36/96/84/346369684.db2.gz ZAKJJGAOLUWHCL-DTORHVGOSA-N 1 2 219.288 0.993 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)c2cnccn2)[nH+]1 ZINC000636281871 346377652 /nfs/dbraw/zinc/37/76/52/346377652.db2.gz CBTFVXUYBVMPRK-UHFFFAOYSA-N 1 2 245.286 0.968 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2C[C@H](OC)C2)[nH+]1 ZINC000636290456 346380283 /nfs/dbraw/zinc/38/02/83/346380283.db2.gz MFKBEBXRJGDGHN-MGCOHNPYSA-N 1 2 237.303 0.808 20 0 BCADLO Cc1c(NCc2c[nH+]cn2C)nnn1C ZINC000641780951 362722167 /nfs/dbraw/zinc/72/21/67/362722167.db2.gz PZDHQXFIIIFLKD-UHFFFAOYSA-N 1 2 206.253 0.469 20 0 BCADLO COC[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000641790331 362725090 /nfs/dbraw/zinc/72/50/90/362725090.db2.gz SKCXTDJNZXOTFN-QMMMGPOBSA-N 1 2 227.312 0.553 20 0 BCADLO C[C@@H](NCc1c[nH+]c(N)nc1N)C(F)F ZINC000641794240 362734197 /nfs/dbraw/zinc/73/41/97/362734197.db2.gz TUASNBQYCIEAPG-SCSAIBSYSA-N 1 2 217.223 0.045 20 0 BCADLO CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000171136629 346440517 /nfs/dbraw/zinc/44/05/17/346440517.db2.gz SZRZWONPFULUKR-JTQLQIEISA-N 1 2 213.325 0.149 20 0 BCADLO Cn1c[nH+]cc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000641799213 362746802 /nfs/dbraw/zinc/74/68/02/362746802.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 1 2 222.336 0.633 20 0 BCADLO NC(=O)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000170868821 346467008 /nfs/dbraw/zinc/46/70/08/346467008.db2.gz MNBFUJXVDNTUIS-UHFFFAOYSA-N 1 2 246.270 0.330 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000636402451 346468562 /nfs/dbraw/zinc/46/85/62/346468562.db2.gz BVHBYEYBSLWVCD-MNOVXSKESA-N 1 2 237.303 0.382 20 0 BCADLO Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000641799437 362748748 /nfs/dbraw/zinc/74/87/48/362748748.db2.gz MWGBQIYGOOAATC-VXGBXAGGSA-N 1 2 222.336 0.822 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000636417494 346505297 /nfs/dbraw/zinc/50/52/97/346505297.db2.gz PPULXIAMRGDLEA-AOOOYVTPSA-N 1 2 249.314 0.619 20 0 BCADLO CC(C)OC(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000580085335 346516728 /nfs/dbraw/zinc/51/67/28/346516728.db2.gz HKNAGJWDLLIVCO-VIFPVBQESA-N 1 2 239.275 0.339 20 0 BCADLO CC[C@H]([NH2+]CC[C@@](C)(O)COC)C(=O)OC ZINC000419208613 192103736 /nfs/dbraw/zinc/10/37/36/192103736.db2.gz RJBSSUSRUQOTSI-GXSJLCMTSA-N 1 2 233.308 0.315 20 0 BCADLO Nc1nc(N)c(CN2CCC=C(F)C2)c[nH+]1 ZINC000623015188 346541007 /nfs/dbraw/zinc/54/10/07/346541007.db2.gz LPARXESNSADCPI-UHFFFAOYSA-N 1 2 223.255 0.361 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2nncn2C)C1 ZINC000187528821 346582591 /nfs/dbraw/zinc/58/25/91/346582591.db2.gz SZJUJLPUQVJXIJ-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nncn2C)C1 ZINC000187528821 346582593 /nfs/dbraw/zinc/58/25/93/346582593.db2.gz SZJUJLPUQVJXIJ-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)CCn1cccn1 ZINC000380196384 346587066 /nfs/dbraw/zinc/58/70/66/346587066.db2.gz ZSMBRJMRLCXADI-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)CSC ZINC000187765830 346608167 /nfs/dbraw/zinc/60/81/67/346608167.db2.gz GNBXIZCDYDVEHW-SECBINFHSA-N 1 2 235.349 0.595 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)CSC ZINC000187765830 346608169 /nfs/dbraw/zinc/60/81/69/346608169.db2.gz GNBXIZCDYDVEHW-SECBINFHSA-N 1 2 235.349 0.595 20 0 BCADLO 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/nfs/dbraw/zinc/24/99/20/348249920.db2.gz XYJLDZANTRZFNT-UHFFFAOYSA-N 1 2 228.321 0.914 20 0 BCADLO CC[C@@H](C)[N@H+](CCc1c[nH]nn1)CC(=O)OC ZINC000595476565 348251463 /nfs/dbraw/zinc/25/14/63/348251463.db2.gz RRCJPOOKFVQSAP-SECBINFHSA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@@H](C)[N@@H+](CCc1c[nH]nn1)CC(=O)OC ZINC000595476565 348251466 /nfs/dbraw/zinc/25/14/66/348251466.db2.gz RRCJPOOKFVQSAP-SECBINFHSA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@@H](C)[N@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000595476565 348251468 /nfs/dbraw/zinc/25/14/68/348251468.db2.gz RRCJPOOKFVQSAP-SECBINFHSA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@@H](C)[N@@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000595476565 348251472 /nfs/dbraw/zinc/25/14/72/348251472.db2.gz RRCJPOOKFVQSAP-SECBINFHSA-N 1 2 240.307 0.621 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)S1=O ZINC000595455840 348254723 /nfs/dbraw/zinc/25/47/23/348254723.db2.gz RZUGYHBZWPFCDW-UWVGGRQHSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CC[S@](=O)C1 ZINC000595459165 348256214 /nfs/dbraw/zinc/25/62/14/348256214.db2.gz ONJUZQICVSYECO-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CC[S@@](=O)C1 ZINC000595459166 348256236 /nfs/dbraw/zinc/25/62/36/348256236.db2.gz ONJUZQICVSYECO-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCSC)C1 ZINC000595518107 348260570 /nfs/dbraw/zinc/26/05/70/348260570.db2.gz GYROKYAUGLZLIH-UHFFFAOYSA-N 1 2 237.390 0.858 20 0 BCADLO CSCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545909 348268056 /nfs/dbraw/zinc/26/80/56/348268056.db2.gz ASKALWDOBMTXNA-UHFFFAOYSA-N 1 2 203.267 0.570 20 0 BCADLO CSCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545909 348268058 /nfs/dbraw/zinc/26/80/58/348268058.db2.gz ASKALWDOBMTXNA-UHFFFAOYSA-N 1 2 203.267 0.570 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCSC ZINC000595526281 348271348 /nfs/dbraw/zinc/27/13/48/348271348.db2.gz JMBXLOZVTOHARW-SECBINFHSA-N 1 2 221.322 0.253 20 0 BCADLO CCSCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526737 348271370 /nfs/dbraw/zinc/27/13/70/348271370.db2.gz LKTNTJUAWGWGBN-VIFPVBQESA-N 1 2 221.322 0.253 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCOC(C)(C)C ZINC000595528087 348271915 /nfs/dbraw/zinc/27/19/15/348271915.db2.gz USJKJMMRXHODAV-GFCCVEGCSA-N 1 2 247.335 0.705 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCCC1 ZINC000595527861 348272023 /nfs/dbraw/zinc/27/20/23/348272023.db2.gz SIVUBDWKKKFRPM-NSHDSACASA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@H]1CCCCO1 ZINC000595530813 348273385 /nfs/dbraw/zinc/27/33/85/348273385.db2.gz ABWRNTSLMFIXSD-PWSUYJOCSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](O)CCC(C)C ZINC000595531980 348274114 /nfs/dbraw/zinc/27/41/14/348274114.db2.gz NOOXXRVNIXOIMT-PWSUYJOCSA-N 1 2 247.335 0.297 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@H]1CCOC1 ZINC000595532772 348274373 /nfs/dbraw/zinc/27/43/73/348274373.db2.gz BKQHPEJZONDTNY-JQWIXIFHSA-N 1 2 245.319 0.317 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1CCC1 ZINC000595533753 348275453 /nfs/dbraw/zinc/27/54/53/348275453.db2.gz NJJZXLLKXKGGLM-LLVKDONJSA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC=C(C)C ZINC000595533816 348275607 /nfs/dbraw/zinc/27/56/07/348275607.db2.gz ODFUIODJKCMRMX-LLVKDONJSA-N 1 2 215.293 0.856 20 0 BCADLO COC(=O)[C@H](C1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595591476 348277702 /nfs/dbraw/zinc/27/77/02/348277702.db2.gz IKJQAFDCHHJOCB-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@H](C1CC1)N(C)Cc1c[nH]c[nH+]1 ZINC000595591476 348277703 /nfs/dbraw/zinc/27/77/03/348277703.db2.gz IKJQAFDCHHJOCB-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595615901 348289174 /nfs/dbraw/zinc/28/91/74/348289174.db2.gz JTWBAUFDXQMAEA-VIFPVBQESA-N 1 2 201.266 0.300 20 0 BCADLO CCOC(=O)C[NH2+][C@H](COC)C1CCOCC1 ZINC000595615923 348289183 /nfs/dbraw/zinc/28/91/83/348289183.db2.gz NZZLWFMMDXVCSE-LLVKDONJSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cscn1 ZINC000595668439 348301972 /nfs/dbraw/zinc/30/19/72/348301972.db2.gz AYNYEAFWBPUNEC-DTWKUNHWSA-N 1 2 242.300 0.563 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCn1cc(C)cn1 ZINC000595675978 348310623 /nfs/dbraw/zinc/31/06/23/348310623.db2.gz WUQAFRPKESKQLF-UHFFFAOYSA-N 1 2 249.314 0.829 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCn1cc(C)cn1 ZINC000595675978 348310626 /nfs/dbraw/zinc/31/06/26/348310626.db2.gz WUQAFRPKESKQLF-UHFFFAOYSA-N 1 2 249.314 0.829 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cn[nH]c1 ZINC000595680783 348312125 /nfs/dbraw/zinc/31/21/25/348312125.db2.gz VXTOIEVOIAMIOX-UHFFFAOYSA-N 1 2 221.260 0.547 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cn[nH]c1 ZINC000595680783 348312126 /nfs/dbraw/zinc/31/21/26/348312126.db2.gz VXTOIEVOIAMIOX-UHFFFAOYSA-N 1 2 221.260 0.547 20 0 BCADLO Cc1cccnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081265234 179392085 /nfs/dbraw/zinc/39/20/85/179392085.db2.gz AUOJVVMWCGXXNR-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cccnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081265234 179392087 /nfs/dbraw/zinc/39/20/87/179392087.db2.gz AUOJVVMWCGXXNR-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO COC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595808728 348349602 /nfs/dbraw/zinc/34/96/02/348349602.db2.gz VODQZRQEURMOME-UHFFFAOYSA-N 1 2 225.288 0.995 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CCOC1 ZINC000595769956 348335942 /nfs/dbraw/zinc/33/59/42/348335942.db2.gz PLECENZIKWLLLN-KOLCDFICSA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(=O)N(C)C ZINC000595769104 348335947 /nfs/dbraw/zinc/33/59/47/348335947.db2.gz IYMMXRBHAIQIIC-LLVKDONJSA-N 1 2 248.298 0.346 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1COCCO1 ZINC000595771376 348336437 /nfs/dbraw/zinc/33/64/37/348336437.db2.gz AXFQQBIPLGTWQW-MWLCHTKSSA-N 1 2 249.282 0.283 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1COCCO1 ZINC000595771375 348336744 /nfs/dbraw/zinc/33/67/44/348336744.db2.gz AXFQQBIPLGTWQW-KOLCDFICSA-N 1 2 249.282 0.283 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)C(C)C ZINC000595775084 348338037 /nfs/dbraw/zinc/33/80/37/348338037.db2.gz LWEBKFLZUPIQCV-KOLCDFICSA-N 1 2 235.299 0.884 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCCn1cc[nH+]c1 ZINC000595774313 348338133 /nfs/dbraw/zinc/33/81/33/348338133.db2.gz HLARXJXOWCUUEM-LLVKDONJSA-N 1 2 243.282 0.764 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](C)OC ZINC000595774818 348338228 /nfs/dbraw/zinc/33/82/28/348338228.db2.gz JQNBDYZZNFMMSO-WPRPVWTQSA-N 1 2 221.272 0.902 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000595784419 348345984 /nfs/dbraw/zinc/34/59/84/348345984.db2.gz TZUXXKITZKZDDU-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595784419 348345988 /nfs/dbraw/zinc/34/59/88/348345988.db2.gz TZUXXKITZKZDDU-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCn1ccnc1 ZINC000595869638 348385627 /nfs/dbraw/zinc/38/56/27/348385627.db2.gz DAQGMSJRZHQQKK-UHFFFAOYSA-N 1 2 249.314 0.911 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CCn1ccnc1 ZINC000595869638 348385629 /nfs/dbraw/zinc/38/56/29/348385629.db2.gz DAQGMSJRZHQQKK-UHFFFAOYSA-N 1 2 249.314 0.911 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC000595856220 348357534 /nfs/dbraw/zinc/35/75/34/348357534.db2.gz KZTRRBJZARXRMZ-OCAPTIKFSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC000595856220 348357538 /nfs/dbraw/zinc/35/75/38/348357538.db2.gz KZTRRBJZARXRMZ-OCAPTIKFSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595823136 348363841 /nfs/dbraw/zinc/36/38/41/348363841.db2.gz KSQGMNYMUPCIDO-BBBLOLIVSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595823136 348363843 /nfs/dbraw/zinc/36/38/43/348363843.db2.gz KSQGMNYMUPCIDO-BBBLOLIVSA-N 1 2 243.303 0.679 20 0 BCADLO CCN(CCO)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596056243 348434532 /nfs/dbraw/zinc/43/45/32/348434532.db2.gz UZKFQGXISFJYPT-UHFFFAOYSA-N 1 2 238.287 0.616 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CCO[C@@H]3C[C@@H]32)c1 ZINC000596238662 348483169 /nfs/dbraw/zinc/48/31/69/348483169.db2.gz WTFHZQAUMMHNQE-WDEREUQCSA-N 1 2 248.282 0.775 20 0 BCADLO COC(=O)c1ccc(N(C)Cc2c[nH+]c[nH]2)nn1 ZINC000596312245 348504676 /nfs/dbraw/zinc/50/46/76/348504676.db2.gz INVYFOUUEDOSOS-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1ccc(N(C)Cc2c[nH]c[nH+]2)nn1 ZINC000596312245 348504679 /nfs/dbraw/zinc/50/46/79/348504679.db2.gz INVYFOUUEDOSOS-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)CO1 ZINC000597115082 348662481 /nfs/dbraw/zinc/66/24/81/348662481.db2.gz LWBWDOISQWXDHT-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)o1 ZINC000331172487 179587461 /nfs/dbraw/zinc/58/74/61/179587461.db2.gz OJWZXUHMOOOXJF-GHMZBOCLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cnc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)o1 ZINC000331172487 179587463 /nfs/dbraw/zinc/58/74/63/179587463.db2.gz OJWZXUHMOOOXJF-GHMZBOCLSA-N 1 2 240.303 0.955 20 0 BCADLO C[C@H](CNC(=O)NCC1CC1)[NH+]1CCOCC1 ZINC000048463693 490186072 /nfs/dbraw/zinc/18/60/72/490186072.db2.gz ZLEFVBLTCAJRMY-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC000597220700 348691873 /nfs/dbraw/zinc/69/18/73/348691873.db2.gz JMUXMQHEOOXRIM-KNVOCYPGSA-N 1 2 227.289 0.579 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C1(C(N)=O)CC1 ZINC000597779225 348816052 /nfs/dbraw/zinc/81/60/52/348816052.db2.gz UTNLNPHARHYEHU-UHFFFAOYSA-N 1 2 219.244 0.016 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000159301125 350000849 /nfs/dbraw/zinc/00/08/49/350000849.db2.gz RIEDRCRQXSKKPG-SNVBAGLBSA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000159301125 350000853 /nfs/dbraw/zinc/00/08/53/350000853.db2.gz RIEDRCRQXSKKPG-SNVBAGLBSA-N 1 2 213.302 0.941 20 0 BCADLO C[NH2+][C@@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000054076882 348879908 /nfs/dbraw/zinc/87/99/08/348879908.db2.gz GUGHBZRNRQNZON-VIFPVBQESA-N 1 2 224.308 0.375 20 0 BCADLO O=C(CSC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598949246 349070638 /nfs/dbraw/zinc/07/06/38/349070638.db2.gz XBBOXRMNZGPDAA-QMMMGPOBSA-N 1 2 237.328 0.820 20 0 BCADLO Cc1cc(NC[C@@H]2CCC(=O)N2)nc[nH+]1 ZINC000070621860 490226309 /nfs/dbraw/zinc/22/63/09/490226309.db2.gz YZUVKZKZUPBJQS-QMMMGPOBSA-N 1 2 206.249 0.476 20 0 BCADLO CSC[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943806 349062683 /nfs/dbraw/zinc/06/26/83/349062683.db2.gz HXJXPRUIWNNBGF-BDAKNGLRSA-N 1 2 239.344 0.923 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000248742834 349148232 /nfs/dbraw/zinc/14/82/32/349148232.db2.gz AKHVGQWXBMRBRV-JQWIXIFHSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000248742834 349148234 /nfs/dbraw/zinc/14/82/34/349148234.db2.gz AKHVGQWXBMRBRV-JQWIXIFHSA-N 1 2 237.303 0.565 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000599280037 349139231 /nfs/dbraw/zinc/13/92/31/349139231.db2.gz ANUUZNOLJKBMBX-SECBINFHSA-N 1 2 245.319 0.194 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1cn(C)nn1 ZINC000599283343 349140506 /nfs/dbraw/zinc/14/05/06/349140506.db2.gz VZZFOJZKTGWGGT-UHFFFAOYSA-N 1 2 240.307 0.243 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1cn(C)nn1 ZINC000599283343 349140509 /nfs/dbraw/zinc/14/05/09/349140509.db2.gz VZZFOJZKTGWGGT-UHFFFAOYSA-N 1 2 240.307 0.243 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626224 349231108 /nfs/dbraw/zinc/23/11/08/349231108.db2.gz PSOJOCYIHFBVOB-DKIAZLNASA-N 1 2 215.293 0.951 20 0 BCADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOCCO ZINC000599651912 349234267 /nfs/dbraw/zinc/23/42/67/349234267.db2.gz ICJKQHGHZZNPIA-UHFFFAOYSA-N 1 2 247.335 0.705 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105887 349292425 /nfs/dbraw/zinc/29/24/25/349292425.db2.gz AXPLNPVQIWOTJO-SECBINFHSA-N 1 2 223.276 0.713 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105887 349292428 /nfs/dbraw/zinc/29/24/28/349292428.db2.gz AXPLNPVQIWOTJO-SECBINFHSA-N 1 2 223.276 0.713 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599693950 349246304 /nfs/dbraw/zinc/24/63/04/349246304.db2.gz PYYPPGDXWYIDKL-JQWIXIFHSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@](C)(COC)C1 ZINC000599693950 349246306 /nfs/dbraw/zinc/24/63/06/349246306.db2.gz PYYPPGDXWYIDKL-JQWIXIFHSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000628313715 349261121 /nfs/dbraw/zinc/26/11/21/349261121.db2.gz YBVWBAHHMMALOR-CABZTGNLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000628313715 349261123 /nfs/dbraw/zinc/26/11/23/349261123.db2.gz YBVWBAHHMMALOR-CABZTGNLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)[nH]1 ZINC000292660135 179836173 /nfs/dbraw/zinc/83/61/73/179836173.db2.gz BANKYZZTRWCSMX-QMMMGPOBSA-N 1 2 225.296 0.103 20 0 BCADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)c(C)o1 ZINC000293740202 179887169 /nfs/dbraw/zinc/88/71/69/179887169.db2.gz NLGXMSRTONJCRI-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H](C)CO)c[nH+]1 ZINC000270348159 179887629 /nfs/dbraw/zinc/88/76/29/179887629.db2.gz VTIRORDTWSFKAW-BQBZGAKWSA-N 1 2 211.265 0.465 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1C ZINC000061710975 349392604 /nfs/dbraw/zinc/39/26/04/349392604.db2.gz XSKHEUUIGFZOFG-NSHDSACASA-N 1 2 236.315 0.891 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1C ZINC000061710975 349392608 /nfs/dbraw/zinc/39/26/08/349392608.db2.gz XSKHEUUIGFZOFG-NSHDSACASA-N 1 2 236.315 0.891 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969108 349406218 /nfs/dbraw/zinc/40/62/18/349406218.db2.gz ISFHLMCZXZKOKX-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969108 349406222 /nfs/dbraw/zinc/40/62/22/349406222.db2.gz ISFHLMCZXZKOKX-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO COc1ccncc1C[NH2+]C1(C(N)=O)CC1 ZINC000336664588 538043292 /nfs/dbraw/zinc/04/32/92/538043292.db2.gz DXEMTJUEVVOXBT-UHFFFAOYSA-N 1 2 221.260 0.198 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H](O)C(C)(C)C1 ZINC000387991868 490262168 /nfs/dbraw/zinc/26/21/68/490262168.db2.gz VQPCSFMVFQWEIW-SSDOTTSWSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H](O)C(C)(C)C1 ZINC000387991868 490262176 /nfs/dbraw/zinc/26/21/76/490262176.db2.gz VQPCSFMVFQWEIW-SSDOTTSWSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCOC1)CC2 ZINC000626245523 349427662 /nfs/dbraw/zinc/42/76/62/349427662.db2.gz PSAWRITXOYSGJZ-MNOVXSKESA-N 1 2 249.314 0.659 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000253066363 490270432 /nfs/dbraw/zinc/27/04/32/490270432.db2.gz JCABSAWIFIVUQH-NEPJUHHUSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000253066363 490270439 /nfs/dbraw/zinc/27/04/39/490270439.db2.gz JCABSAWIFIVUQH-NEPJUHHUSA-N 1 2 245.319 0.223 20 0 BCADLO Cc1[nH]c(C(=O)NCc2nncn2C2CC2)c[nH+]1 ZINC000603735554 350017934 /nfs/dbraw/zinc/01/79/34/350017934.db2.gz WMUVHZYBGDXTGD-UHFFFAOYSA-N 1 2 246.274 0.575 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cc(C#N)cnn1 ZINC000396974271 350020107 /nfs/dbraw/zinc/02/01/07/350020107.db2.gz CXYMYTTVIYDMRW-UHFFFAOYSA-N 1 2 228.259 0.718 20 0 BCADLO CC1(C)NC(=O)CC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000309141262 350080633 /nfs/dbraw/zinc/08/06/33/350080633.db2.gz TXAMWWRVZITWML-ZETCQYMHSA-N 1 2 208.265 0.879 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000603859214 350045861 /nfs/dbraw/zinc/04/58/61/350045861.db2.gz UGXFUKFFOSOXFL-APPZFPTMSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC000603859214 350045864 /nfs/dbraw/zinc/04/58/64/350045864.db2.gz UGXFUKFFOSOXFL-APPZFPTMSA-N 1 2 239.275 0.934 20 0 BCADLO CCc1n[nH]cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603917428 350053066 /nfs/dbraw/zinc/05/30/66/350053066.db2.gz XIYSSUCAIOGNLM-UHFFFAOYSA-N 1 2 245.286 0.866 20 0 BCADLO Cc1nc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000279349613 180007570 /nfs/dbraw/zinc/00/75/70/180007570.db2.gz FGIHMQALUHLVJB-UHFFFAOYSA-N 1 2 220.236 0.408 20 0 BCADLO Cc1nc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)n[nH]1 ZINC000126819306 180011861 /nfs/dbraw/zinc/01/18/61/180011861.db2.gz NONCNGQJTSPPAD-JTQLQIEISA-N 1 2 249.318 0.926 20 0 BCADLO Cc1nnc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[nH]1 ZINC000126819306 180011862 /nfs/dbraw/zinc/01/18/62/180011862.db2.gz NONCNGQJTSPPAD-JTQLQIEISA-N 1 2 249.318 0.926 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000364450481 180012235 /nfs/dbraw/zinc/01/22/35/180012235.db2.gz XRMAQEBDJZXMAC-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1cc(CN[C@@H](C)[C@@H]2C[N@H+](C)CCO2)on1 ZINC000631093310 350115893 /nfs/dbraw/zinc/11/58/93/350115893.db2.gz JWZVOEQNCZPJMO-JQWIXIFHSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1cc(CN[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC000631093310 350115894 /nfs/dbraw/zinc/11/58/94/350115894.db2.gz JWZVOEQNCZPJMO-JQWIXIFHSA-N 1 2 239.319 0.792 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791053 350115964 /nfs/dbraw/zinc/11/59/64/350115964.db2.gz HAAPYPQZFUNAOW-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791053 350115968 /nfs/dbraw/zinc/11/59/68/350115968.db2.gz HAAPYPQZFUNAOW-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445484 180054550 /nfs/dbraw/zinc/05/45/50/180054550.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445484 180054552 /nfs/dbraw/zinc/05/45/52/180054552.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC000268445484 180054553 /nfs/dbraw/zinc/05/45/53/180054553.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC000268445484 180054556 /nfs/dbraw/zinc/05/45/56/180054556.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)n[nH]1 ZINC000268445484 180054557 /nfs/dbraw/zinc/05/45/57/180054557.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)n[nH]1 ZINC000268445484 180054559 /nfs/dbraw/zinc/05/45/59/180054559.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 1 2 237.307 0.166 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000132386532 191031909 /nfs/dbraw/zinc/03/19/09/191031909.db2.gz VZEPMLZIVAQTTJ-IUCAKERBSA-N 1 2 203.282 0.545 20 0 BCADLO Cc1nc(N[C@H]2CNC(=O)C2)c2c([nH+]1)CCCC2 ZINC000333020702 180070706 /nfs/dbraw/zinc/07/07/06/180070706.db2.gz DTFZLDKPKNNFAU-SECBINFHSA-N 1 2 246.314 0.964 20 0 BCADLO Cc1nc(N[C@H](C)CC[S@@](C)=O)nc(N)[nH+]1 ZINC000304431558 350156472 /nfs/dbraw/zinc/15/64/72/350156472.db2.gz GKBHCLWJCCKTBT-ADNUTGFCSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)CC[S@@](C)=O)[nH+]1 ZINC000304431558 350156475 /nfs/dbraw/zinc/15/64/75/350156475.db2.gz GKBHCLWJCCKTBT-ADNUTGFCSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N[C@H](C)CC[S@](C)=O)nc(N)[nH+]1 ZINC000304431559 350156999 /nfs/dbraw/zinc/15/69/99/350156999.db2.gz GKBHCLWJCCKTBT-KXHHVGMCSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)CC[S@](C)=O)[nH+]1 ZINC000304431559 350157001 /nfs/dbraw/zinc/15/70/01/350157001.db2.gz GKBHCLWJCCKTBT-KXHHVGMCSA-N 1 2 243.336 0.331 20 0 BCADLO CS[C@@H](CO)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304523866 350162261 /nfs/dbraw/zinc/16/22/61/350162261.db2.gz SLBMIFOUIZBYJT-VDTYLAMSSA-N 1 2 243.336 0.287 20 0 BCADLO CS[C@@H](CO)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304523866 350162267 /nfs/dbraw/zinc/16/22/67/350162267.db2.gz SLBMIFOUIZBYJT-VDTYLAMSSA-N 1 2 243.336 0.287 20 0 BCADLO CS[C@H](CO)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304523864 350162300 /nfs/dbraw/zinc/16/23/00/350162300.db2.gz SLBMIFOUIZBYJT-IYSWYEEDSA-N 1 2 243.336 0.287 20 0 BCADLO CS[C@H](CO)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304523864 350162302 /nfs/dbraw/zinc/16/23/02/350162302.db2.gz SLBMIFOUIZBYJT-IYSWYEEDSA-N 1 2 243.336 0.287 20 0 BCADLO CCOC(=O)[C@H](CC)[NH+]1CCC(O)(CO)CC1 ZINC000313641230 350163658 /nfs/dbraw/zinc/16/36/58/350163658.db2.gz XWVIIJJYEKIZKU-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000220108721 350163810 /nfs/dbraw/zinc/16/38/10/350163810.db2.gz GSACAYBKWBUXSF-LLVKDONJSA-N 1 2 205.261 0.574 20 0 BCADLO COCC(C)(C)C[N@@H+]1CCn2cnnc2C1 ZINC000426410950 191043182 /nfs/dbraw/zinc/04/31/82/191043182.db2.gz KJZJYSUTVUSLAY-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO COCC(C)(C)C[N@H+]1CCn2cnnc2C1 ZINC000426410950 191043184 /nfs/dbraw/zinc/04/31/84/191043184.db2.gz KJZJYSUTVUSLAY-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO Cc1ncc(C(=O)NCC[NH+]2CCC2)s1 ZINC000337311463 180129852 /nfs/dbraw/zinc/12/98/52/180129852.db2.gz CNHXLDZMWBLJLW-UHFFFAOYSA-N 1 2 225.317 0.887 20 0 BCADLO COC(C)(C)CC(=O)Nc1cc[nH+]cc1O ZINC000426962369 191050350 /nfs/dbraw/zinc/05/03/50/191050350.db2.gz CIQAJWSRLGKTOF-UHFFFAOYSA-N 1 2 224.260 0.963 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC=CC1 ZINC000637065441 350171636 /nfs/dbraw/zinc/17/16/36/350171636.db2.gz UJEZZTIYWHTZDE-SNVBAGLBSA-N 1 2 232.287 0.779 20 0 BCADLO Cc1[nH]c(C(=O)NCCCn2cccn2)c[nH+]1 ZINC000339181468 180130808 /nfs/dbraw/zinc/13/08/08/180130808.db2.gz AUMXPSCBBLPPNG-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@H](C)O)c[nH+]1 ZINC000334036744 180131612 /nfs/dbraw/zinc/13/16/12/180131612.db2.gz OUFZVQOYBIQUBQ-BQBZGAKWSA-N 1 2 211.265 0.607 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1 ZINC000271957495 180132265 /nfs/dbraw/zinc/13/22/65/180132265.db2.gz LRKHNYJBFXSUKN-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](CO)C2CC2)c[nH+]1 ZINC000358329283 180132306 /nfs/dbraw/zinc/13/23/06/180132306.db2.gz ZLCWAZJVNXECBC-SECBINFHSA-N 1 2 223.276 0.466 20 0 BCADLO CC[C@H](NC(=O)CCCC(N)=O)c1[nH]cc[nH+]1 ZINC000427197915 191056222 /nfs/dbraw/zinc/05/62/22/191056222.db2.gz RVQOGZQFHFVSRF-QMMMGPOBSA-N 1 2 238.291 0.633 20 0 BCADLO Cc1nc2sccn2c1C[N@H+](C)CC(N)=O ZINC000268196100 180118011 /nfs/dbraw/zinc/11/80/11/180118011.db2.gz FMWWWGWFCGVHGH-UHFFFAOYSA-N 1 2 238.316 0.621 20 0 BCADLO Cc1nc2sccn2c1C[N@@H+](C)CC(N)=O ZINC000268196100 180118013 /nfs/dbraw/zinc/11/80/13/180118013.db2.gz FMWWWGWFCGVHGH-UHFFFAOYSA-N 1 2 238.316 0.621 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@](C)(O)C1CCC1 ZINC000362855381 180119518 /nfs/dbraw/zinc/11/95/18/180119518.db2.gz MOSWPQULCDVLGP-GFCCVEGCSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc[nH]1 ZINC000336165744 180119552 /nfs/dbraw/zinc/11/95/52/180119552.db2.gz OQSAICFIHGPOLZ-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000329086978 180144203 /nfs/dbraw/zinc/14/42/03/180144203.db2.gz VAPYWTIBGDWUOA-NSHDSACASA-N 1 2 247.302 0.199 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](N)C(F)(F)F ZINC000353429322 180120168 /nfs/dbraw/zinc/12/01/68/180120168.db2.gz PHKSKRSPBSGQSE-LURJTMIESA-N 1 2 236.197 0.224 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000333039397 180120581 /nfs/dbraw/zinc/12/05/81/180120581.db2.gz JGCRELMFANEDPU-RKDXNWHRSA-N 1 2 223.276 0.554 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000333039397 180120582 /nfs/dbraw/zinc/12/05/82/180120582.db2.gz JGCRELMFANEDPU-RKDXNWHRSA-N 1 2 223.276 0.554 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000329086978 180144205 /nfs/dbraw/zinc/14/42/05/180144205.db2.gz VAPYWTIBGDWUOA-NSHDSACASA-N 1 2 247.302 0.199 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccon1 ZINC000335885948 180122446 /nfs/dbraw/zinc/12/24/46/180122446.db2.gz SCMPLDPGOJWVQC-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1ncc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000261551095 180168863 /nfs/dbraw/zinc/16/88/63/180168863.db2.gz QCFFNBIHQXRYEP-QMMMGPOBSA-N 1 2 224.289 0.386 20 0 BCADLO Cc1nc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC000408241406 180194055 /nfs/dbraw/zinc/19/40/55/180194055.db2.gz WJUVASQTXYQPLE-UHFFFAOYSA-N 1 2 227.289 0.020 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637119875 350205431 /nfs/dbraw/zinc/20/54/31/350205431.db2.gz XAGFIGOSDKZFHZ-WCABBAIRSA-N 1 2 234.303 0.906 20 0 BCADLO Cc1nc(N2CC[S@](=O)C[C@@H](C)C2)cc[nH+]1 ZINC000277915183 180194588 /nfs/dbraw/zinc/19/45/88/180194588.db2.gz GQEORVBWTSWSKX-FVMDXXJSSA-N 1 2 239.344 0.990 20 0 BCADLO Cc1nc(N2CC[C@H](CC(N)=O)C2)cc[nH+]1 ZINC000377143099 180195534 /nfs/dbraw/zinc/19/55/34/180195534.db2.gz SRSSGXMKEWYZHP-SECBINFHSA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(CN2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000428471995 191078144 /nfs/dbraw/zinc/07/81/44/191078144.db2.gz DHKUNUUJYIFULY-UHFFFAOYSA-N 1 2 221.308 0.393 20 0 BCADLO Cc1nc(NCCCn2cc(CO)nn2)cc[nH+]1 ZINC000291204920 180197904 /nfs/dbraw/zinc/19/79/04/180197904.db2.gz USXRDUWRJYHMLU-UHFFFAOYSA-N 1 2 248.290 0.371 20 0 BCADLO Cc1nc(NCCCN2C(=O)CCC2=O)cc[nH+]1 ZINC000266317037 180198267 /nfs/dbraw/zinc/19/82/67/180198267.db2.gz FDOVSWUOHAVIRU-UHFFFAOYSA-N 1 2 248.286 0.736 20 0 BCADLO CCc1nnsc1C(=O)NCC[NH+]1CCC1 ZINC000532787325 323297010 /nfs/dbraw/zinc/29/70/10/323297010.db2.gz GPEOEMHSRDOHBW-UHFFFAOYSA-N 1 2 240.332 0.536 20 0 BCADLO Cc1nc(NCCCOCCO)cc[nH+]1 ZINC000227312833 180199166 /nfs/dbraw/zinc/19/91/66/180199166.db2.gz VGDCQMGWDVVGSJ-UHFFFAOYSA-N 1 2 211.265 0.596 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@H](C(N)=O)O2)cc[nH+]1 ZINC000162921041 180201231 /nfs/dbraw/zinc/20/12/31/180201231.db2.gz LHZFVKOYMPRRKM-RKDXNWHRSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1nc(N[C@@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000054935701 180202835 /nfs/dbraw/zinc/20/28/35/180202835.db2.gz KFWDOBMAZZITBL-MRVPVSSYSA-N 1 2 227.289 0.384 20 0 BCADLO Cc1nc(N[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000082516050 180202843 /nfs/dbraw/zinc/20/28/43/180202843.db2.gz YGNSJXXTXYRBEY-MRVPVSSYSA-N 1 2 206.249 0.476 20 0 BCADLO Cc1nc(N[C@@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000193535101 180203870 /nfs/dbraw/zinc/20/38/70/180203870.db2.gz RJLUFXCHNZZROY-XCBNKYQSSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1nc(N[C@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000281580261 180205856 /nfs/dbraw/zinc/20/58/56/180205856.db2.gz FSVYCBNIZPHDEB-APPZFPTMSA-N 1 2 220.276 0.864 20 0 BCADLO Cc1nc(N[C@H](C)C[S@](C)=O)cc[nH+]1 ZINC000164220010 180206103 /nfs/dbraw/zinc/20/61/03/180206103.db2.gz PONANIOHRVSNOC-NXSYQRQQSA-N 1 2 213.306 0.964 20 0 BCADLO Cc1nc(N[C@H]2CCCCNC2=O)cc[nH+]1 ZINC000266342454 180206113 /nfs/dbraw/zinc/20/61/13/180206113.db2.gz IIGOFEQRMFWVFO-VIFPVBQESA-N 1 2 220.276 0.866 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)o1 ZINC000304773957 490387344 /nfs/dbraw/zinc/38/73/44/490387344.db2.gz FPHBLDWXFSSDNV-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)o1 ZINC000304773957 490387351 /nfs/dbraw/zinc/38/73/51/490387351.db2.gz FPHBLDWXFSSDNV-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000428308301 191080602 /nfs/dbraw/zinc/08/06/02/191080602.db2.gz ZOKAVILQCFGCDM-IUCAKERBSA-N 1 2 224.308 0.741 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000428308301 191080605 /nfs/dbraw/zinc/08/06/05/191080605.db2.gz ZOKAVILQCFGCDM-IUCAKERBSA-N 1 2 224.308 0.741 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cnc(C)o2)C1 ZINC000628306406 350231766 /nfs/dbraw/zinc/23/17/66/350231766.db2.gz AXPAMFJUISSAMX-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO C[C@H](F)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637174084 350233492 /nfs/dbraw/zinc/23/34/92/350233492.db2.gz PXTZJGKEMPZPLI-DTWKUNHWSA-N 1 2 240.282 0.855 20 0 BCADLO CNC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000428943607 191083871 /nfs/dbraw/zinc/08/38/71/191083871.db2.gz PUGGGTZKCVINJB-UHFFFAOYSA-N 1 2 237.303 0.012 20 0 BCADLO CNC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000428943607 191083873 /nfs/dbraw/zinc/08/38/73/191083873.db2.gz PUGGGTZKCVINJB-UHFFFAOYSA-N 1 2 237.303 0.012 20 0 BCADLO COc1cc(C)nc(-n2c[nH+]c(CCCO)c2)n1 ZINC000605147441 350257539 /nfs/dbraw/zinc/25/75/39/350257539.db2.gz AKQGJNFYQJTHHS-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nncn1C ZINC000083584492 350243236 /nfs/dbraw/zinc/24/32/36/350243236.db2.gz STZHGMNOEGYYSY-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nncn1C ZINC000083584492 350243238 /nfs/dbraw/zinc/24/32/38/350243238.db2.gz STZHGMNOEGYYSY-QMMMGPOBSA-N 1 2 226.280 0.056 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)O)C1 ZINC000427683591 191087099 /nfs/dbraw/zinc/08/70/99/191087099.db2.gz WTYDWTSOVRWKGO-VIFPVBQESA-N 1 2 237.303 0.507 20 0 BCADLO CCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000050071926 350281742 /nfs/dbraw/zinc/28/17/42/350281742.db2.gz XRTKSTUOZGAEIP-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000050071926 350281744 /nfs/dbraw/zinc/28/17/44/350281744.db2.gz XRTKSTUOZGAEIP-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)NC2(C)COC2)c1 ZINC000637212499 350278027 /nfs/dbraw/zinc/27/80/27/350278027.db2.gz ZXVNQODMDNGVOP-UHFFFAOYSA-N 1 2 238.291 0.051 20 0 BCADLO O=C(C[N@H+]1CC[C@H](O)C1)OCc1ccccc1 ZINC000223910190 350297818 /nfs/dbraw/zinc/29/78/18/350297818.db2.gz HJOBUOBZTDNBGJ-LBPRGKRZSA-N 1 2 235.283 0.796 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](O)C1)OCc1ccccc1 ZINC000223910190 350297821 /nfs/dbraw/zinc/29/78/21/350297821.db2.gz HJOBUOBZTDNBGJ-LBPRGKRZSA-N 1 2 235.283 0.796 20 0 BCADLO Cc1ncncc1C(=O)NCCn1cc[nH+]c1 ZINC000340052010 180293950 /nfs/dbraw/zinc/29/39/50/180293950.db2.gz GEOBSWOQVHQAQQ-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO C[C@@H](CCO)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621269237 350289754 /nfs/dbraw/zinc/28/97/54/350289754.db2.gz OLALSKRAWSNXEJ-LURJTMIESA-N 1 2 249.274 0.240 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(N)=O)oc1C ZINC000069172175 350345267 /nfs/dbraw/zinc/34/52/67/350345267.db2.gz QBUOUUWCRUWMNU-VIFPVBQESA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]2C(N)=O)oc1C ZINC000069172175 350345272 /nfs/dbraw/zinc/34/52/72/350345272.db2.gz QBUOUUWCRUWMNU-VIFPVBQESA-N 1 2 223.276 0.741 20 0 BCADLO Cc1cc(CNC(=O)NCc2[nH+]ccn2C)[nH]n1 ZINC000606510353 350349076 /nfs/dbraw/zinc/34/90/76/350349076.db2.gz PBBZOSJKENQESV-UHFFFAOYSA-N 1 2 248.290 0.451 20 0 BCADLO CCN(CC(C)(C)O)C(=O)Cn1cc[nH+]c1 ZINC000309380244 350361389 /nfs/dbraw/zinc/36/13/89/350361389.db2.gz QUHMNEXIXQPGRM-UHFFFAOYSA-N 1 2 225.292 0.503 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CCNC(=O)C1 ZINC000265755107 180308922 /nfs/dbraw/zinc/30/89/22/180308922.db2.gz XWEITMQPWPPJMD-UHFFFAOYSA-N 1 2 225.317 0.426 20 0 BCADLO Cc1ncsc1CC[N@H+]1CCNC(=O)C1 ZINC000265755107 180308923 /nfs/dbraw/zinc/30/89/23/180308923.db2.gz XWEITMQPWPPJMD-UHFFFAOYSA-N 1 2 225.317 0.426 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000426528301 191096274 /nfs/dbraw/zinc/09/62/74/191096274.db2.gz YVDJYUYDPLPFJF-NSHDSACASA-N 1 2 240.307 0.495 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000426528301 191096276 /nfs/dbraw/zinc/09/62/76/191096276.db2.gz YVDJYUYDPLPFJF-NSHDSACASA-N 1 2 240.307 0.495 20 0 BCADLO COC[C@@H](CCNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000617234796 350404782 /nfs/dbraw/zinc/40/47/82/350404782.db2.gz PWARGWHROPCVHY-SECBINFHSA-N 1 2 241.291 0.499 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)C1CC1 ZINC000427871434 191098189 /nfs/dbraw/zinc/09/81/89/191098189.db2.gz KHMVPKPHBJEZHW-SNVBAGLBSA-N 1 2 237.303 0.395 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](CO)C1CC1 ZINC000427871434 191098191 /nfs/dbraw/zinc/09/81/91/191098191.db2.gz KHMVPKPHBJEZHW-SNVBAGLBSA-N 1 2 237.303 0.395 20 0 BCADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCO ZINC000367556260 180349111 /nfs/dbraw/zinc/34/91/11/180349111.db2.gz HCFOSPSDTLENOH-LLVKDONJSA-N 1 2 239.319 0.403 20 0 BCADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCO ZINC000367556260 180349112 /nfs/dbraw/zinc/34/91/12/180349112.db2.gz HCFOSPSDTLENOH-LLVKDONJSA-N 1 2 239.319 0.403 20 0 BCADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)O ZINC000606670728 350424954 /nfs/dbraw/zinc/42/49/54/350424954.db2.gz XJTYHSDWYTUQRE-QMMMGPOBSA-N 1 2 240.307 0.379 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCN(C)C(=O)C1 ZINC000119484205 180338351 /nfs/dbraw/zinc/33/83/51/180338351.db2.gz LHRWLVAETBUPQL-UHFFFAOYSA-N 1 2 236.319 0.311 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCN(C)C(=O)C1 ZINC000119484205 180338354 /nfs/dbraw/zinc/33/83/54/180338354.db2.gz LHRWLVAETBUPQL-UHFFFAOYSA-N 1 2 236.319 0.311 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427989497 191103974 /nfs/dbraw/zinc/10/39/74/191103974.db2.gz GZJCNXRRSBHUNA-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO CC[N@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000336693016 350449365 /nfs/dbraw/zinc/44/93/65/350449365.db2.gz ARYVIRSDQIWXLK-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO CC[N@@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000336693016 350449367 /nfs/dbraw/zinc/44/93/67/350449367.db2.gz ARYVIRSDQIWXLK-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO CCn1cc[nH+]c1CNc1nc(OC)n[nH]1 ZINC000309434725 350458309 /nfs/dbraw/zinc/45/83/09/350458309.db2.gz GYAACYRQFCYMMQ-UHFFFAOYSA-N 1 2 222.252 0.642 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264860776 180369932 /nfs/dbraw/zinc/36/99/32/180369932.db2.gz FLTIKHBKVNPGMK-SECBINFHSA-N 1 2 247.302 0.744 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427989944 191104610 /nfs/dbraw/zinc/10/46/10/191104610.db2.gz BTVBLSXYYSQJDP-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000226955456 180370677 /nfs/dbraw/zinc/37/06/77/180370677.db2.gz LYWVZUISEFYGDJ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427998134 191105493 /nfs/dbraw/zinc/10/54/93/191105493.db2.gz UXAJDVGZIXBRAL-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc[nH]c1 ZINC000427993828 191105584 /nfs/dbraw/zinc/10/55/84/191105584.db2.gz PSXANZLTVPZCLD-JTQLQIEISA-N 1 2 230.271 0.956 20 0 BCADLO CCOCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428002455 191105690 /nfs/dbraw/zinc/10/56/90/191105690.db2.gz XKWJYHTVYCKOCV-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070007721 350489328 /nfs/dbraw/zinc/48/93/28/350489328.db2.gz HBBJACZWUCLEPO-RKDXNWHRSA-N 1 2 224.308 0.595 20 0 BCADLO CC(=O)Nc1cccc(N2C(=O)C[C@@H]([NH3+])C2=O)c1 ZINC000577505618 365972544 /nfs/dbraw/zinc/97/25/44/365972544.db2.gz HLTONNJGSLTNIM-SNVBAGLBSA-N 1 2 247.254 0.236 20 0 BCADLO Cc1nnc(C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000329690361 180397254 /nfs/dbraw/zinc/39/72/54/180397254.db2.gz GMGFHXKRNOLLNJ-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H]1C ZINC000637443187 350584198 /nfs/dbraw/zinc/58/41/98/350584198.db2.gz VRPASJZVZDYXBG-OUAUKWLOSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H]1C ZINC000637443187 350584200 /nfs/dbraw/zinc/58/42/00/350584200.db2.gz VRPASJZVZDYXBG-OUAUKWLOSA-N 1 2 241.335 0.367 20 0 BCADLO CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000637446908 350587679 /nfs/dbraw/zinc/58/76/79/350587679.db2.gz URKFAUYRPDEQKD-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000637446908 350587682 /nfs/dbraw/zinc/58/76/82/350587682.db2.gz URKFAUYRPDEQKD-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCOC1 ZINC000606832463 350616346 /nfs/dbraw/zinc/61/63/46/350616346.db2.gz LNADKOJJORBTJD-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO C[N@H+](CCn1ccccc1=O)Cc1ccon1 ZINC000606901944 350626974 /nfs/dbraw/zinc/62/69/74/350626974.db2.gz JBMWPVIYGBDWQV-UHFFFAOYSA-N 1 2 233.271 0.968 20 0 BCADLO C[N@@H+](CCn1ccccc1=O)Cc1ccon1 ZINC000606901944 350626976 /nfs/dbraw/zinc/62/69/76/350626976.db2.gz JBMWPVIYGBDWQV-UHFFFAOYSA-N 1 2 233.271 0.968 20 0 BCADLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000155081498 191115264 /nfs/dbraw/zinc/11/52/64/191115264.db2.gz YTJSCSVBRSFFCI-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000155081498 191115265 /nfs/dbraw/zinc/11/52/65/191115265.db2.gz YTJSCSVBRSFFCI-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1[nH+]ccn1C ZINC000264350093 180464071 /nfs/dbraw/zinc/46/40/71/180464071.db2.gz WVAJHLGZAAEZNZ-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO C/C=C/CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637481952 350634433 /nfs/dbraw/zinc/63/44/33/350634433.db2.gz DBJFSWGQVVVDBH-GKQMSVHHSA-N 1 2 220.276 0.683 20 0 BCADLO CC(C)CN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338028784 350660832 /nfs/dbraw/zinc/66/08/32/350660832.db2.gz DCCCAKYJPGPBNO-GFCCVEGCSA-N 1 2 241.379 0.737 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C1CC1)C1CC1 ZINC000637558882 350707721 /nfs/dbraw/zinc/70/77/21/350707721.db2.gz DELHYCPHVRZFBR-GFCCVEGCSA-N 1 2 238.331 0.861 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C1CC1)C1CC1 ZINC000637558882 350707725 /nfs/dbraw/zinc/70/77/25/350707725.db2.gz DELHYCPHVRZFBR-GFCCVEGCSA-N 1 2 238.331 0.861 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H](CO)C1CCC1 ZINC000617303285 350709269 /nfs/dbraw/zinc/70/92/69/350709269.db2.gz DUTCBGCGHSHVAV-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO CCN(c1nc(C)[nH+]c(N(C)C)n1)[C@@H](C)CO ZINC000338792239 350712600 /nfs/dbraw/zinc/71/26/00/350712600.db2.gz YJTZMZMEJBXJOJ-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO CCN(c1nc(N(C)C)nc(C)[nH+]1)[C@@H](C)CO ZINC000338792239 350712602 /nfs/dbraw/zinc/71/26/02/350712602.db2.gz YJTZMZMEJBXJOJ-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO C[C@]1(CO)CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000577569697 365992037 /nfs/dbraw/zinc/99/20/37/365992037.db2.gz ZPNAWJHKYUNJGD-ZYHUDNBSSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@]1(CO)CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000577569696 365992074 /nfs/dbraw/zinc/99/20/74/365992074.db2.gz ZPNAWJHKYUNJGD-PWSUYJOCSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](CO)C1CCC1 ZINC000617312202 350720923 /nfs/dbraw/zinc/72/09/23/350720923.db2.gz UAODLYBHINJIPA-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](CO)C1CCC1 ZINC000617312202 350720927 /nfs/dbraw/zinc/72/09/27/350720927.db2.gz UAODLYBHINJIPA-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO CC[C@@H](O)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000339011881 350727263 /nfs/dbraw/zinc/72/72/63/350727263.db2.gz VTPPTGFTBQRYBG-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000339011881 350727265 /nfs/dbraw/zinc/72/72/65/350727265.db2.gz VTPPTGFTBQRYBG-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO O[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1O ZINC000236555051 350738892 /nfs/dbraw/zinc/73/88/92/350738892.db2.gz DALZQTXEJKBZPO-TXEJJXNPSA-N 1 2 230.267 0.777 20 0 BCADLO CCc1nnc(C[N@@H+](CC)[C@@H](C)CO)[nH]1 ZINC000339628075 350769140 /nfs/dbraw/zinc/76/91/40/350769140.db2.gz QWBSJWKWOVGBJF-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@H+](CC)[C@@H](C)CO)[nH]1 ZINC000339628075 350769145 /nfs/dbraw/zinc/76/91/45/350769145.db2.gz QWBSJWKWOVGBJF-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CC[N@H+](Cc1nc(CCOC)no1)[C@H](C)CO ZINC000339629330 350769604 /nfs/dbraw/zinc/76/96/04/350769604.db2.gz ZTEGXJLBYBHGSV-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@@H+](Cc1nc(CCOC)no1)[C@H](C)CO ZINC000339629330 350769607 /nfs/dbraw/zinc/76/96/07/350769607.db2.gz ZTEGXJLBYBHGSV-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@@H](C)CO ZINC000339634128 350770663 /nfs/dbraw/zinc/77/06/63/350770663.db2.gz MABXQBADSIIMBO-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@@H](C)CO ZINC000339634128 350770664 /nfs/dbraw/zinc/77/06/64/350770664.db2.gz MABXQBADSIIMBO-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009883 350907802 /nfs/dbraw/zinc/90/78/02/350907802.db2.gz GKRVIMALWYOLIA-SECBINFHSA-N 1 2 223.276 0.866 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009883 350907804 /nfs/dbraw/zinc/90/78/04/350907804.db2.gz GKRVIMALWYOLIA-SECBINFHSA-N 1 2 223.276 0.866 20 0 BCADLO Cc1noc(C[NH+](C)C[C@@H]2CCCO2)n1 ZINC000052102882 350929998 /nfs/dbraw/zinc/92/99/98/350929998.db2.gz JEBJIRMKNHGFOB-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[NH+](C)C[C@H]2CCCO2)n1 ZINC000052102883 350930059 /nfs/dbraw/zinc/93/00/59/350930059.db2.gz JEBJIRMKNHGFOB-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)C12CC(C1)C2 ZINC000626291165 350892918 /nfs/dbraw/zinc/89/29/18/350892918.db2.gz WQJPWMLKAFTSFW-UHFFFAOYSA-N 1 2 204.229 0.948 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)CC(=O)NCC ZINC000052188276 350960433 /nfs/dbraw/zinc/96/04/33/350960433.db2.gz LWJMIWJOLQKBHN-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)CC(=O)NCC ZINC000052188276 350960434 /nfs/dbraw/zinc/96/04/34/350960434.db2.gz LWJMIWJOLQKBHN-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO OC[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607146344 350945840 /nfs/dbraw/zinc/94/58/40/350945840.db2.gz RRVFFJRWEKIPDA-SNVBAGLBSA-N 1 2 245.286 0.481 20 0 BCADLO OC[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607146343 350946072 /nfs/dbraw/zinc/94/60/72/350946072.db2.gz RRVFFJRWEKIPDA-JTQLQIEISA-N 1 2 245.286 0.481 20 0 BCADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)nc1 ZINC000398275766 351023679 /nfs/dbraw/zinc/02/36/79/351023679.db2.gz AXMCWEZBPZWWET-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO CCCn1nccc1C[NH2+]Cc1cnn[nH]1 ZINC000398309852 351024271 /nfs/dbraw/zinc/02/42/71/351024271.db2.gz RUFWODMTGFHQMC-UHFFFAOYSA-N 1 2 220.280 0.701 20 0 BCADLO CCn1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)cn1 ZINC000571489974 351025932 /nfs/dbraw/zinc/02/59/32/351025932.db2.gz RDMZEPQTEBKJJG-UHFFFAOYSA-N 1 2 241.276 0.427 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(CCO)C1CC1 ZINC000036129850 358459557 /nfs/dbraw/zinc/45/95/57/358459557.db2.gz QXMXXPAPKHYLPB-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1cnn[nH]1 ZINC000623577878 363010351 /nfs/dbraw/zinc/01/03/51/363010351.db2.gz KKPDQKDAKYMYJK-UHFFFAOYSA-N 1 2 248.334 0.953 20 0 BCADLO CC(C)=CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000052798128 351071067 /nfs/dbraw/zinc/07/10/67/351071067.db2.gz RUWDBFNJSMXYJB-UHFFFAOYSA-N 1 2 232.349 0.530 20 0 BCADLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccccn1 ZINC000260489544 351074355 /nfs/dbraw/zinc/07/43/55/351074355.db2.gz KTIWNUYMSRGJRN-UHFFFAOYSA-N 1 2 249.314 0.724 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1nccn1C ZINC000071115269 351160590 /nfs/dbraw/zinc/16/05/90/351160590.db2.gz JTNIBMURHPPZRY-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO CCN(C)c1ccc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000623578701 363012557 /nfs/dbraw/zinc/01/25/57/363012557.db2.gz UMBQXMPRQQFXOY-UHFFFAOYSA-N 1 2 246.318 0.946 20 0 BCADLO CC(C)n1nccc1C[NH2+]Cc1cnn[nH]1 ZINC000398390124 351130010 /nfs/dbraw/zinc/13/00/10/351130010.db2.gz KCOMPKQGZBFBEG-UHFFFAOYSA-N 1 2 220.280 0.872 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CCC1 ZINC000623583905 363017147 /nfs/dbraw/zinc/01/71/47/363017147.db2.gz UDKNYWZJYUTGJI-SNVBAGLBSA-N 1 2 227.308 0.169 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1CCC1 ZINC000623583905 363017149 /nfs/dbraw/zinc/01/71/49/363017149.db2.gz UDKNYWZJYUTGJI-SNVBAGLBSA-N 1 2 227.308 0.169 20 0 BCADLO Cc1[nH]c(CN2CN(C)C(=O)[C@H]2C)[nH+]c1C ZINC000628322591 351211473 /nfs/dbraw/zinc/21/14/73/351211473.db2.gz CHJQXKBMCLLHHD-SECBINFHSA-N 1 2 222.292 0.647 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000270139877 351375255 /nfs/dbraw/zinc/37/52/55/351375255.db2.gz UUJHLRXFNJVFQX-UHFFFAOYSA-N 1 2 222.292 0.496 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000268582339 351337353 /nfs/dbraw/zinc/33/73/53/351337353.db2.gz TXTKZEDLRUGZBU-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000268582339 351337359 /nfs/dbraw/zinc/33/73/59/351337359.db2.gz TXTKZEDLRUGZBU-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)CC1([NH3+])CC1 ZINC000398172702 363053717 /nfs/dbraw/zinc/05/37/17/363053717.db2.gz ZDUDUDUXZLEWBZ-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH+]cn1C ZINC000088094295 351569387 /nfs/dbraw/zinc/56/93/87/351569387.db2.gz QGVCVLRHBIUXRK-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1Cc1c[nH+]cn1C ZINC000088094293 351569662 /nfs/dbraw/zinc/56/96/62/351569662.db2.gz QGVCVLRHBIUXRK-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000072788909 351575539 /nfs/dbraw/zinc/57/55/39/351575539.db2.gz KIDYDVIZNFKDQD-BBBLOLIVSA-N 1 2 235.287 0.604 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1Cc1[nH+]ccn1C ZINC000088094588 351598651 /nfs/dbraw/zinc/59/86/51/351598651.db2.gz ZHIDDIYARAJRTJ-UWVGGRQHSA-N 1 2 225.292 0.002 20 0 BCADLO CC[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276583070 351635217 /nfs/dbraw/zinc/63/52/17/351635217.db2.gz LXISYVNHLXJLMQ-HMDXOVGESA-N 1 2 223.276 0.700 20 0 BCADLO Cn1c2cc(C[NH+]3CCOCC3)ccc2oc1=O ZINC000637810027 351650383 /nfs/dbraw/zinc/65/03/83/351650383.db2.gz AMJODBQUWSHOJW-UHFFFAOYSA-N 1 2 248.282 0.964 20 0 BCADLO c1[nH+]c(CN2CCOCC2)cc2c1OCCO2 ZINC000637810458 351651225 /nfs/dbraw/zinc/65/12/25/351651225.db2.gz GGJRQCUGBJXWPE-UHFFFAOYSA-N 1 2 236.271 0.685 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1ncccn1 ZINC000577694244 366036276 /nfs/dbraw/zinc/03/62/76/366036276.db2.gz RLGWCMMBEFQSFV-UHFFFAOYSA-N 1 2 229.287 0.941 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1ncccn1 ZINC000577694244 366036280 /nfs/dbraw/zinc/03/62/80/366036280.db2.gz RLGWCMMBEFQSFV-UHFFFAOYSA-N 1 2 229.287 0.941 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637873260 351739734 /nfs/dbraw/zinc/73/97/34/351739734.db2.gz JSHYDGAVCNJOTK-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO COCC[NH+]1CCN(Cc2ccns2)CC1 ZINC000637881235 351746869 /nfs/dbraw/zinc/74/68/69/351746869.db2.gz GQDHCPDJONXBMS-UHFFFAOYSA-N 1 2 241.360 0.907 20 0 BCADLO Cc1ccc(C[N@@H+](C)Cc2cnc(N)nc2N)o1 ZINC000637852668 351712220 /nfs/dbraw/zinc/71/22/20/351712220.db2.gz GSVZJIFNCZLCDX-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO Cc1ccc(C[N@H+](C)Cc2cnc(N)nc2N)o1 ZINC000637852668 351712224 /nfs/dbraw/zinc/71/22/24/351712224.db2.gz GSVZJIFNCZLCDX-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO CCOC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577758172 366055287 /nfs/dbraw/zinc/05/52/87/366055287.db2.gz UJEWOTDVKRXOHD-VIFPVBQESA-N 1 2 239.275 0.514 20 0 BCADLO C[N@H+](Cc1ccoc1)Cc1cnc(N)nc1N ZINC000637965319 351838474 /nfs/dbraw/zinc/83/84/74/351838474.db2.gz ICLPAUIFTAEILE-UHFFFAOYSA-N 1 2 233.275 0.527 20 0 BCADLO C[N@@H+](Cc1ccoc1)Cc1cnc(N)nc1N ZINC000637965319 351838477 /nfs/dbraw/zinc/83/84/77/351838477.db2.gz ICLPAUIFTAEILE-UHFFFAOYSA-N 1 2 233.275 0.527 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)n1C ZINC000124566314 191143074 /nfs/dbraw/zinc/14/30/74/191143074.db2.gz MHQMKHWKGZULJC-GFCCVEGCSA-N 1 2 238.335 0.724 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)n1C ZINC000124566314 191143077 /nfs/dbraw/zinc/14/30/77/191143077.db2.gz MHQMKHWKGZULJC-GFCCVEGCSA-N 1 2 238.335 0.724 20 0 BCADLO CCN(Cc1c[nH+]c(N)nc1N)CC(F)(F)F ZINC000637940918 351815453 /nfs/dbraw/zinc/81/54/53/351815453.db2.gz CWJNJWFVFQQPSM-UHFFFAOYSA-N 1 2 249.240 0.686 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124005841 191142142 /nfs/dbraw/zinc/14/21/42/191142142.db2.gz IIOKAPGYTRNZTJ-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124005841 191142145 /nfs/dbraw/zinc/14/21/45/191142145.db2.gz IIOKAPGYTRNZTJ-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1occc1C[N@@H+](C)Cc1cnc(N)nc1N ZINC000637969630 351844333 /nfs/dbraw/zinc/84/43/33/351844333.db2.gz MMFFPIMXWKIHHM-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO Cc1occc1C[N@H+](C)Cc1cnc(N)nc1N ZINC000637969630 351844337 /nfs/dbraw/zinc/84/43/37/351844337.db2.gz MMFFPIMXWKIHHM-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO CC[C@](C)(C[N@@H+]1CCn2cnnc2C1)OC ZINC000638048434 351928543 /nfs/dbraw/zinc/92/85/43/351928543.db2.gz DDHOCWHKFCNLFN-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@](C)(C[N@H+]1CCn2cnnc2C1)OC ZINC000638048434 351928545 /nfs/dbraw/zinc/92/85/45/351928545.db2.gz DDHOCWHKFCNLFN-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC[N@H+](Cc1ccnn1C)[C@@H]1CCNC1=O ZINC000282489280 351934170 /nfs/dbraw/zinc/93/41/70/351934170.db2.gz VZBXYKITOFFGPC-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1ccnn1C)[C@@H]1CCNC1=O ZINC000282489280 351934172 /nfs/dbraw/zinc/93/41/72/351934172.db2.gz VZBXYKITOFFGPC-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)c1nc(N(CCO)CCCO)cc[nH+]1 ZINC000356216739 187550409 /nfs/dbraw/zinc/55/04/09/187550409.db2.gz KINXZQQCONAMFK-UHFFFAOYSA-N 1 2 239.319 0.781 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370388753 187560779 /nfs/dbraw/zinc/56/07/79/187560779.db2.gz IRGYMBBBLNDBQV-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO CCn1nccc1C[N@H+](CC)[C@@H]1CCNC1=O ZINC000281760572 351908142 /nfs/dbraw/zinc/90/81/42/351908142.db2.gz LIQMJDCDWHYGHA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000281760572 351908144 /nfs/dbraw/zinc/90/81/44/351908144.db2.gz LIQMJDCDWHYGHA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000638030526 351912116 /nfs/dbraw/zinc/91/21/16/351912116.db2.gz GXAWCAXQQXMWNO-LBPRGKRZSA-N 1 2 248.330 0.693 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCNC(=O)CC1 ZINC000638030526 351912119 /nfs/dbraw/zinc/91/21/19/351912119.db2.gz GXAWCAXQQXMWNO-LBPRGKRZSA-N 1 2 248.330 0.693 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000638132288 352000449 /nfs/dbraw/zinc/00/04/49/352000449.db2.gz CYXHUQVXJBYHSK-LLVKDONJSA-N 1 2 249.314 0.888 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000638132288 352000452 /nfs/dbraw/zinc/00/04/52/352000452.db2.gz CYXHUQVXJBYHSK-LLVKDONJSA-N 1 2 249.314 0.888 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638175937 352041915 /nfs/dbraw/zinc/04/19/15/352041915.db2.gz ACPVIAUBGWANQX-KCJUWKMLSA-N 1 2 236.319 0.375 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638175934 352042035 /nfs/dbraw/zinc/04/20/35/352042035.db2.gz ACPVIAUBGWANQX-GZMMTYOYSA-N 1 2 236.319 0.375 20 0 BCADLO CC[NH2+][C@H](C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000638212865 352075350 /nfs/dbraw/zinc/07/53/50/352075350.db2.gz OIVFRXXXPHWBSC-MRVPVSSYSA-N 1 2 224.308 0.375 20 0 BCADLO NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000073137421 352121914 /nfs/dbraw/zinc/12/19/14/352121914.db2.gz YIJTYFVEFGNVSA-UHFFFAOYSA-N 1 2 225.317 0.944 20 0 BCADLO CCc1nc(N(C)CC(=O)NC)cc(C)[nH+]1 ZINC000286126556 352078082 /nfs/dbraw/zinc/07/80/82/352078082.db2.gz MROLRDINZOIGGU-UHFFFAOYSA-N 1 2 222.292 0.530 20 0 BCADLO CC[C@@H]([NH3+])CNC(=O)Cc1[nH]c[nH+]c1C ZINC000638260253 352104436 /nfs/dbraw/zinc/10/44/36/352104436.db2.gz XKELTUVPUYPVRX-MRVPVSSYSA-N 1 2 210.281 0.114 20 0 BCADLO CN(C)c1ccc(C[NH2+]Cc2ncnn2C)cn1 ZINC000638354627 352169412 /nfs/dbraw/zinc/16/94/12/352169412.db2.gz RNMPGEMCQGFMQQ-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289616200 352192275 /nfs/dbraw/zinc/19/22/75/352192275.db2.gz RFQXHKGWSWYFJS-UHFFFAOYSA-N 1 2 243.332 0.829 20 0 BCADLO c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)n[nH]1 ZINC000638327602 352147389 /nfs/dbraw/zinc/14/73/89/352147389.db2.gz AXTOBJQIVPIAAM-UHFFFAOYSA-N 1 2 246.270 0.866 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H]1CO ZINC000083995498 352207616 /nfs/dbraw/zinc/20/76/16/352207616.db2.gz ZMQQMCKSYVMHIV-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H]1CO ZINC000083995498 352207617 /nfs/dbraw/zinc/20/76/17/352207617.db2.gz ZMQQMCKSYVMHIV-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO CCCC[N@H+](CCO)Cc1ncnn1CC ZINC000083995481 352207659 /nfs/dbraw/zinc/20/76/59/352207659.db2.gz RVLYFHAUQGIABI-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCC[N@@H+](CCO)Cc1ncnn1CC ZINC000083995481 352207660 /nfs/dbraw/zinc/20/76/60/352207660.db2.gz RVLYFHAUQGIABI-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H]1CO ZINC000083995489 352207690 /nfs/dbraw/zinc/20/76/90/352207690.db2.gz ZZSUCJQLBDKUJT-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC[C@@H]1CO ZINC000083995489 352207692 /nfs/dbraw/zinc/20/76/92/352207692.db2.gz ZZSUCJQLBDKUJT-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000638417417 352227050 /nfs/dbraw/zinc/22/70/50/352227050.db2.gz ZWKOQFYXCFQFKI-WCQYABFASA-N 1 2 244.298 0.563 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000525834304 259422741 /nfs/dbraw/zinc/42/27/41/259422741.db2.gz XNHIQWWWQBUYJS-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000525834304 259422742 /nfs/dbraw/zinc/42/27/42/259422742.db2.gz XNHIQWWWQBUYJS-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO COC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613390750 363162946 /nfs/dbraw/zinc/16/29/46/363162946.db2.gz YUYPQBHTUHUBEL-JQWIXIFHSA-N 1 2 237.299 0.914 20 0 BCADLO CCN1CCC[N@H+](Cc2n[nH]cc2C)CC1=O ZINC000291629468 352282494 /nfs/dbraw/zinc/28/24/94/352282494.db2.gz SHGHRKRLDGJVSL-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CCN1CCC[N@@H+](Cc2n[nH]cc2C)CC1=O ZINC000291629468 352282496 /nfs/dbraw/zinc/28/24/96/352282496.db2.gz SHGHRKRLDGJVSL-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO COc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1C ZINC000411201301 191169804 /nfs/dbraw/zinc/16/98/04/191169804.db2.gz QOMDWAVBVDBVDG-UHFFFAOYSA-N 1 2 246.270 0.806 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336065253 538102869 /nfs/dbraw/zinc/10/28/69/538102869.db2.gz NWEKMWPLQQNMIR-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336065253 538102872 /nfs/dbraw/zinc/10/28/72/538102872.db2.gz NWEKMWPLQQNMIR-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO COCC[N@H+](CCC1(O)CCC1)CC(=O)OC ZINC000411263489 191174590 /nfs/dbraw/zinc/17/45/90/191174590.db2.gz FMNHIITXKSFNGJ-UHFFFAOYSA-N 1 2 245.319 0.413 20 0 BCADLO COCC[N@@H+](CCC1(O)CCC1)CC(=O)OC ZINC000411263489 191174591 /nfs/dbraw/zinc/17/45/91/191174591.db2.gz FMNHIITXKSFNGJ-UHFFFAOYSA-N 1 2 245.319 0.413 20 0 BCADLO COC[C@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411450413 191187571 /nfs/dbraw/zinc/18/75/71/191187571.db2.gz YJUBAKXIYPCXEF-NSHDSACASA-N 1 2 245.319 0.459 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)[C@H](C)C1 ZINC000293692096 352358368 /nfs/dbraw/zinc/35/83/68/352358368.db2.gz QSNZWSXTVQOPKJ-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)[C@H](C)C1 ZINC000293692096 352358371 /nfs/dbraw/zinc/35/83/71/352358371.db2.gz QSNZWSXTVQOPKJ-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411517867 191191922 /nfs/dbraw/zinc/19/19/22/191191922.db2.gz HCVYEFFZAHJESL-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411841405 191216303 /nfs/dbraw/zinc/21/63/03/191216303.db2.gz HQTWKBZOCVVREG-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO CCOC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000411841405 191216306 /nfs/dbraw/zinc/21/63/06/191216306.db2.gz HQTWKBZOCVVREG-UHFFFAOYSA-N 1 2 237.303 0.731 20 0 BCADLO C[C@H](C(=O)NCc1ccc[nH]1)[NH+]1CCOCC1 ZINC000041573186 352616075 /nfs/dbraw/zinc/61/60/75/352616075.db2.gz DULMLDSFXAEPFB-SNVBAGLBSA-N 1 2 237.303 0.352 20 0 BCADLO CC[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000073735063 352671878 /nfs/dbraw/zinc/67/18/78/352671878.db2.gz LVQPROAQVPZXKE-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO COCC1(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC000617472241 352719418 /nfs/dbraw/zinc/71/94/18/352719418.db2.gz IOKBCMVORCGKQM-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000638744190 352679054 /nfs/dbraw/zinc/67/90/54/352679054.db2.gz SHUCGYRBJBBFBS-JTQLQIEISA-N 1 2 246.318 0.668 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000334172670 352757396 /nfs/dbraw/zinc/75/73/96/352757396.db2.gz AUUUPTBGCFAOMD-UHFFFAOYSA-N 1 2 235.234 0.173 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000334172670 352757398 /nfs/dbraw/zinc/75/73/98/352757398.db2.gz AUUUPTBGCFAOMD-UHFFFAOYSA-N 1 2 235.234 0.173 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cn[nH]c1 ZINC000334177711 352763610 /nfs/dbraw/zinc/76/36/10/352763610.db2.gz CMDUJPMRVSJBGW-QMMMGPOBSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cn[nH]c1 ZINC000334177711 352763612 /nfs/dbraw/zinc/76/36/12/352763612.db2.gz CMDUJPMRVSJBGW-QMMMGPOBSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(C1CC[NH+](CC(F)F)CC1)N1CC(O)C1 ZINC000334178454 352764571 /nfs/dbraw/zinc/76/45/71/352764571.db2.gz DUAIHTJEHMJEAM-UHFFFAOYSA-N 1 2 248.273 0.167 20 0 BCADLO C[N@H+](Cc1cn2ccccc2n1)[C@@H]1CCNC1=O ZINC000334179396 352766443 /nfs/dbraw/zinc/76/64/43/352766443.db2.gz DIYIXWPGHVYQQM-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cn2ccccc2n1)[C@@H]1CCNC1=O ZINC000334179396 352766446 /nfs/dbraw/zinc/76/64/46/352766446.db2.gz DIYIXWPGHVYQQM-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2ccnc2C1 ZINC000334209951 352806815 /nfs/dbraw/zinc/80/68/15/352806815.db2.gz FYMDSPAMXHKGRT-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2ccnc2C1 ZINC000334209951 352806819 /nfs/dbraw/zinc/80/68/19/352806819.db2.gz FYMDSPAMXHKGRT-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@@H]2CCNC2=O)n1C ZINC000342806982 352860408 /nfs/dbraw/zinc/86/04/08/352860408.db2.gz MBXQJVCWHUHLTE-SECBINFHSA-N 1 2 222.292 0.049 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCC1 ZINC000334258582 352869316 /nfs/dbraw/zinc/86/93/16/352869316.db2.gz SDLSABXGCPFYGU-RYUDHWBXSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCC1 ZINC000334258582 352869318 /nfs/dbraw/zinc/86/93/18/352869318.db2.gz SDLSABXGCPFYGU-RYUDHWBXSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@@H]3C(=O)NC[C@@H]32)n1C ZINC000342842138 352871059 /nfs/dbraw/zinc/87/10/59/352871059.db2.gz CFSGCIRMILUYSY-QWRGUYRKSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)n1C ZINC000342842138 352871061 /nfs/dbraw/zinc/87/10/61/352871061.db2.gz CFSGCIRMILUYSY-QWRGUYRKSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)n1C ZINC000342842138 352871064 /nfs/dbraw/zinc/87/10/64/352871064.db2.gz CFSGCIRMILUYSY-QWRGUYRKSA-N 1 2 248.330 0.439 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334244675 352833550 /nfs/dbraw/zinc/83/35/50/352833550.db2.gz RBKXEZABRKKQRJ-OIBJUYFYSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334244675 352833555 /nfs/dbraw/zinc/83/35/55/352833555.db2.gz RBKXEZABRKKQRJ-OIBJUYFYSA-N 1 2 231.271 0.264 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412092652 191258352 /nfs/dbraw/zinc/25/83/52/191258352.db2.gz QPIOLZJEQHAWNN-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412092652 191258354 /nfs/dbraw/zinc/25/83/54/191258354.db2.gz QPIOLZJEQHAWNN-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO COCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617479229 352931446 /nfs/dbraw/zinc/93/14/46/352931446.db2.gz GAGQNDDDWSWCKE-UHFFFAOYSA-N 1 2 249.314 0.944 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000334261098 352894282 /nfs/dbraw/zinc/89/42/82/352894282.db2.gz XJLCNBZOZCTUCY-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000334261098 352894284 /nfs/dbraw/zinc/89/42/84/352894284.db2.gz XJLCNBZOZCTUCY-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000334261690 352894555 /nfs/dbraw/zinc/89/45/55/352894555.db2.gz YIQZAFVNFKVMAM-ZDUSSCGKSA-N 1 2 248.330 0.820 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000334261690 352894559 /nfs/dbraw/zinc/89/45/59/352894559.db2.gz YIQZAFVNFKVMAM-ZDUSSCGKSA-N 1 2 248.330 0.820 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000334352505 352988496 /nfs/dbraw/zinc/98/84/96/352988496.db2.gz XGIICIUKCILQDT-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000334352505 352988498 /nfs/dbraw/zinc/98/84/98/352988498.db2.gz XGIICIUKCILQDT-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC000334328587 352965988 /nfs/dbraw/zinc/96/59/88/352965988.db2.gz MYHYSZIIUGABMI-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC000334328587 352965991 /nfs/dbraw/zinc/96/59/91/352965991.db2.gz MYHYSZIIUGABMI-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO O[C@@H](C[N@@H+]1CCOCC12CC2)C(F)(F)F ZINC000334330688 352966876 /nfs/dbraw/zinc/96/68/76/352966876.db2.gz OZUPGVRSQNGXGQ-ZETCQYMHSA-N 1 2 225.210 0.774 20 0 BCADLO O[C@@H](C[N@H+]1CCOCC12CC2)C(F)(F)F ZINC000334330688 352966879 /nfs/dbraw/zinc/96/68/79/352966879.db2.gz OZUPGVRSQNGXGQ-ZETCQYMHSA-N 1 2 225.210 0.774 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1[C@H]2COC[C@H]21 ZINC000375632181 180823604 /nfs/dbraw/zinc/82/36/04/180823604.db2.gz RDYJDEUFAPEZRR-SLGCYQGISA-N 1 2 245.286 0.668 20 0 BCADLO C=CS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000307195635 353060369 /nfs/dbraw/zinc/06/03/69/353060369.db2.gz MTOPBDVFNSXRAS-UHFFFAOYSA-N 1 2 218.322 0.486 20 0 BCADLO C[C@@H](CCCCO)NC(=O)Cn1cc[nH+]c1 ZINC000398645219 353123107 /nfs/dbraw/zinc/12/31/07/353123107.db2.gz ZKLCVBIXXNQGMT-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307940009 188008280 /nfs/dbraw/zinc/00/82/80/188008280.db2.gz VRVUZTUCXCTNHI-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307940009 188008281 /nfs/dbraw/zinc/00/82/81/188008281.db2.gz VRVUZTUCXCTNHI-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO Cc1nc(N(C)CCS(C)(=O)=O)cc[nH+]1 ZINC000266361056 188022313 /nfs/dbraw/zinc/02/23/13/188022313.db2.gz KQBHHHAIIHEARP-UHFFFAOYSA-N 1 2 229.305 0.266 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000334472473 353118249 /nfs/dbraw/zinc/11/82/49/353118249.db2.gz IBENZFCUBVVMMM-MNOVXSKESA-N 1 2 248.392 0.998 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000334472473 353118251 /nfs/dbraw/zinc/11/82/51/353118251.db2.gz IBENZFCUBVVMMM-MNOVXSKESA-N 1 2 248.392 0.998 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000308697781 353118602 /nfs/dbraw/zinc/11/86/02/353118602.db2.gz UFOSCOAEGNVTLL-IWSPIJDZSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2cncc2C1 ZINC000291675091 188037103 /nfs/dbraw/zinc/03/71/03/188037103.db2.gz WQNMYEFUZRYLQR-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2cncc2C1 ZINC000291675091 188037105 /nfs/dbraw/zinc/03/71/05/188037105.db2.gz WQNMYEFUZRYLQR-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO CC(C)(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292125182 188037134 /nfs/dbraw/zinc/03/71/34/188037134.db2.gz RSWCCBPAMLOQIX-UHFFFAOYSA-N 1 2 235.287 0.841 20 0 BCADLO C=Cn1cc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000193633359 188004208 /nfs/dbraw/zinc/00/42/08/188004208.db2.gz HJRWUVYHHGGWDC-UHFFFAOYSA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000193633359 188004210 /nfs/dbraw/zinc/00/42/10/188004210.db2.gz HJRWUVYHHGGWDC-UHFFFAOYSA-N 1 2 234.303 0.694 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096642030 188050682 /nfs/dbraw/zinc/05/06/82/188050682.db2.gz UJQGLJGGTODIHQ-PWSUYJOCSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cncs1 ZINC000336373186 188055907 /nfs/dbraw/zinc/05/59/07/188055907.db2.gz UNRCKBKRUHUOPK-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000336373186 188055908 /nfs/dbraw/zinc/05/59/08/188055908.db2.gz UNRCKBKRUHUOPK-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@](O)(C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000341589004 188044975 /nfs/dbraw/zinc/04/49/75/188044975.db2.gz RHSBRIXCZBWDCO-SNVBAGLBSA-N 1 2 209.249 0.187 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCn2ncnc2C1 ZINC000329706785 538109383 /nfs/dbraw/zinc/10/93/83/538109383.db2.gz KEKJLVIEHSSFFD-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCn2ncnc2C1 ZINC000329706785 538109384 /nfs/dbraw/zinc/10/93/84/538109384.db2.gz KEKJLVIEHSSFFD-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO CCOCCCNC(=O)NCc1c[nH+]cn1C ZINC000291206526 538110539 /nfs/dbraw/zinc/11/05/39/538110539.db2.gz UXQGPKDZDGRGSJ-UHFFFAOYSA-N 1 2 240.307 0.646 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188526544 353247261 /nfs/dbraw/zinc/24/72/61/353247261.db2.gz IFMKVQKVIWWTDV-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188526544 353247265 /nfs/dbraw/zinc/24/72/65/353247265.db2.gz IFMKVQKVIWWTDV-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000353849999 188234223 /nfs/dbraw/zinc/23/42/23/188234223.db2.gz FWSOOMFSBFKUEC-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000353849999 188234224 /nfs/dbraw/zinc/23/42/24/188234224.db2.gz FWSOOMFSBFKUEC-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000353983016 188235612 /nfs/dbraw/zinc/23/56/12/188235612.db2.gz JFBJAIJFQCFYEV-VXGBXAGGSA-N 1 2 240.347 0.823 20 0 BCADLO CC(C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355084617 188236303 /nfs/dbraw/zinc/23/63/03/188236303.db2.gz VOYNIIUSLRVOCL-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355084617 188236305 /nfs/dbraw/zinc/23/63/05/188236305.db2.gz VOYNIIUSLRVOCL-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCC[NH+]1CCC1 ZINC000355117118 188236559 /nfs/dbraw/zinc/23/65/59/188236559.db2.gz IKIDLHOEQAELJX-UHFFFAOYSA-N 1 2 235.287 0.030 20 0 BCADLO C[NH+](C)Cc1cc(C(=O)NCc2ncc[nH]2)no1 ZINC000355596141 188237625 /nfs/dbraw/zinc/23/76/25/188237625.db2.gz NSRJCJGREPCKTF-UHFFFAOYSA-N 1 2 249.274 0.389 20 0 BCADLO Cn1cc[nH+]c1-c1cccc(CNC(=O)CO)c1 ZINC000378395930 188251357 /nfs/dbraw/zinc/25/13/57/188251357.db2.gz MMUNAWNAIDMXNG-UHFFFAOYSA-N 1 2 245.282 0.696 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000051838055 188299755 /nfs/dbraw/zinc/29/97/55/188299755.db2.gz KFLNMEPCTNEIIJ-ZETCQYMHSA-N 1 2 243.332 0.914 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000051838055 188299757 /nfs/dbraw/zinc/29/97/57/188299757.db2.gz KFLNMEPCTNEIIJ-ZETCQYMHSA-N 1 2 243.332 0.914 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccon1 ZINC000343285904 353355140 /nfs/dbraw/zinc/35/51/40/353355140.db2.gz LDLGTWIMASIBNA-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+](CCO)C1CC1 ZINC000048065201 188327669 /nfs/dbraw/zinc/32/76/69/188327669.db2.gz AMSLVJWAYOAZAR-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+](CCO)C1CC1 ZINC000048065201 188327671 /nfs/dbraw/zinc/32/76/71/188327671.db2.gz AMSLVJWAYOAZAR-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO C[N@H+](CCc1nccs1)[C@@H]1CCOC1=O ZINC000157599413 188333707 /nfs/dbraw/zinc/33/37/07/188333707.db2.gz QJXOLQLCRVVOSF-MRVPVSSYSA-N 1 2 226.301 0.933 20 0 BCADLO C[N@@H+](CCc1nccs1)[C@@H]1CCOC1=O ZINC000157599413 188333710 /nfs/dbraw/zinc/33/37/10/188333710.db2.gz QJXOLQLCRVVOSF-MRVPVSSYSA-N 1 2 226.301 0.933 20 0 BCADLO CO[C@]1(C[NH2+]CC(F)(F)CO)CCOC1 ZINC000639051098 353349157 /nfs/dbraw/zinc/34/91/57/353349157.db2.gz AHEDWZWMEYQULL-QMMMGPOBSA-N 1 2 225.235 0.009 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)sn1 ZINC000639056151 353367057 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/nfs/dbraw/zinc/36/22/61/188362261.db2.gz QWOLKTKEFCOEQT-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337463757 188362262 /nfs/dbraw/zinc/36/22/62/188362262.db2.gz QWOLKTKEFCOEQT-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)nn1 ZINC000338592404 188365818 /nfs/dbraw/zinc/36/58/18/188365818.db2.gz ZKGKRKXKWSYFLP-LLVKDONJSA-N 1 2 241.266 0.392 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)nn1 ZINC000338592404 188365819 /nfs/dbraw/zinc/36/58/19/188365819.db2.gz ZKGKRKXKWSYFLP-LLVKDONJSA-N 1 2 241.266 0.392 20 0 BCADLO Cc1nc(N(C)Cc2nncn2C)cc[nH+]1 ZINC000291769657 188390179 /nfs/dbraw/zinc/39/01/79/188390179.db2.gz BPKUKVWJLPMMFJ-UHFFFAOYSA-N 1 2 218.264 0.550 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cnccc2C)C1 ZINC000291488389 188390418 /nfs/dbraw/zinc/39/04/18/188390418.db2.gz SEEDHVDPMNDRDC-UHFFFAOYSA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276568799 188380359 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ZINC000335935494 134012003 /nfs/dbraw/zinc/01/20/03/134012003.db2.gz CDVPJKNBLSZXDH-VIFPVBQESA-N 1 2 208.265 0.920 20 0 BCADLO O=C(CC1(O)CCCC1)N1CCn2c[nH+]cc2C1 ZINC000334755284 354576896 /nfs/dbraw/zinc/57/68/96/354576896.db2.gz RCEPKHSRUNSALX-UHFFFAOYSA-N 1 2 249.314 0.921 20 0 BCADLO Cn1nccc1C(=O)Nc1cc[nH+]cc1O ZINC000345362350 354633302 /nfs/dbraw/zinc/63/33/02/354633302.db2.gz UKAQAQXXNMINRI-UHFFFAOYSA-N 1 2 218.216 0.195 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H](C)CO)C(=O)OC ZINC000120996458 354638965 /nfs/dbraw/zinc/63/89/65/354638965.db2.gz VWGGAJYDLRUKLY-ONGXEEELSA-N 1 2 217.309 0.936 20 0 BCADLO Cc1ocnc1C(=O)Nc1cc[nH+]cc1O ZINC000345383709 354646969 /nfs/dbraw/zinc/64/69/69/354646969.db2.gz WUHYDRWDQRUSMC-UHFFFAOYSA-N 1 2 219.200 0.758 20 0 BCADLO CO[C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345416897 354652780 /nfs/dbraw/zinc/65/27/80/354652780.db2.gz QIBRQCZUKAGZJH-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO Cc1ocnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000345345759 354621480 /nfs/dbraw/zinc/62/14/80/354621480.db2.gz SPVGHKXSBHXUKG-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CCNC(=O)C1 ZINC000335107342 354692872 /nfs/dbraw/zinc/69/28/72/354692872.db2.gz FEYGTWHYXUWGFR-UHFFFAOYSA-N 1 2 222.292 0.396 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345686722 354732252 /nfs/dbraw/zinc/73/22/52/354732252.db2.gz GGSAUDJLAUSSAC-JGVFFNPUSA-N 1 2 236.262 0.213 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnn1C ZINC000345618145 354715818 /nfs/dbraw/zinc/71/58/18/354715818.db2.gz KABMZOHWPUSWLX-VIFPVBQESA-N 1 2 233.275 0.435 20 0 BCADLO CC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)COC1 ZINC000345738900 354749136 /nfs/dbraw/zinc/74/91/36/354749136.db2.gz MSSGEHMYMCXHFR-ZETCQYMHSA-N 1 2 234.246 0.136 20 0 BCADLO CC[C@H](COC)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345746067 354750495 /nfs/dbraw/zinc/75/04/95/354750495.db2.gz VEUNOOGJFCOTOJ-HTQZYQBOSA-N 1 2 236.262 0.525 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000335122471 354761849 /nfs/dbraw/zinc/76/18/49/354761849.db2.gz FMDSOAKMLSYELW-BDAKNGLRSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000335122471 354761853 /nfs/dbraw/zinc/76/18/53/354761853.db2.gz FMDSOAKMLSYELW-BDAKNGLRSA-N 1 2 236.319 0.883 20 0 BCADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000345810747 354779503 /nfs/dbraw/zinc/77/95/03/354779503.db2.gz QDSZRTGPNGZZOA-YIZRAAEISA-N 1 2 246.257 0.373 20 0 BCADLO CCC(=O)CCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000232843496 363386244 /nfs/dbraw/zinc/38/62/44/363386244.db2.gz KUHRFBQTWZJKSA-SNVBAGLBSA-N 1 2 247.360 0.865 20 0 BCADLO CCC(=O)CCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000232843496 363386246 /nfs/dbraw/zinc/38/62/46/363386246.db2.gz KUHRFBQTWZJKSA-SNVBAGLBSA-N 1 2 247.360 0.865 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000345954778 354820101 /nfs/dbraw/zinc/82/01/01/354820101.db2.gz KJHXFMRVFXWGOS-SNVBAGLBSA-N 1 2 239.319 0.723 20 0 BCADLO COC(=O)C[N@H+](C)CCOCC(C)C ZINC000234528686 363423490 /nfs/dbraw/zinc/42/34/90/363423490.db2.gz DMPXBBWLQMKUNX-UHFFFAOYSA-N 1 2 203.282 0.764 20 0 BCADLO COC(=O)C[N@@H+](C)CCOCC(C)C ZINC000234528686 363423493 /nfs/dbraw/zinc/42/34/93/363423493.db2.gz DMPXBBWLQMKUNX-UHFFFAOYSA-N 1 2 203.282 0.764 20 0 BCADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@H]32)nc1=O ZINC000335143960 354850576 /nfs/dbraw/zinc/85/05/76/354850576.db2.gz UVWKWKGRVXJOTI-JGVFFNPUSA-N 1 2 208.265 0.093 20 0 BCADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@H]32)nc1=O ZINC000335143960 354850580 /nfs/dbraw/zinc/85/05/80/354850580.db2.gz UVWKWKGRVXJOTI-JGVFFNPUSA-N 1 2 208.265 0.093 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000233655474 363404618 /nfs/dbraw/zinc/40/46/18/363404618.db2.gz XKQDYTXECGHHNQ-MWLCHTKSSA-N 1 2 213.277 0.707 20 0 BCADLO CCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000346413342 354916946 /nfs/dbraw/zinc/91/69/46/354916946.db2.gz DBFOHYHPTIVRHI-LLVKDONJSA-N 1 2 227.352 0.539 20 0 BCADLO CCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000346413342 354916947 /nfs/dbraw/zinc/91/69/47/354916947.db2.gz DBFOHYHPTIVRHI-LLVKDONJSA-N 1 2 227.352 0.539 20 0 BCADLO CCN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000335948991 134021268 /nfs/dbraw/zinc/02/12/68/134021268.db2.gz CRLQIXKESJGIQQ-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO COc1ncccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346370830 354902358 /nfs/dbraw/zinc/90/23/58/354902358.db2.gz QEHIQSYKOCEHMR-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ncccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346370830 354902359 /nfs/dbraw/zinc/90/23/59/354902359.db2.gz QEHIQSYKOCEHMR-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H](C)O ZINC000346398444 354909520 /nfs/dbraw/zinc/90/95/20/354909520.db2.gz YNZCDMKPLOBCMT-QMMMGPOBSA-N 1 2 225.292 0.490 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000234794440 363431407 /nfs/dbraw/zinc/43/14/07/363431407.db2.gz WLEZHWWDHZSPEZ-YUMQZZPRSA-N 1 2 201.266 0.563 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+]C12CCOCC2 ZINC000335161976 354914328 /nfs/dbraw/zinc/91/43/28/354914328.db2.gz MUVUHVBXJQSNCA-UHFFFAOYSA-N 1 2 212.293 0.723 20 0 BCADLO CO[C@](C)(C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000335175109 354942679 /nfs/dbraw/zinc/94/26/79/354942679.db2.gz FVHCLCNYSKDWLL-LBPRGKRZSA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000346463320 354953948 /nfs/dbraw/zinc/95/39/48/354953948.db2.gz PYWBJWUXIPPRQD-LLVKDONJSA-N 1 2 227.352 0.395 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000346463320 354953950 /nfs/dbraw/zinc/95/39/50/354953950.db2.gz PYWBJWUXIPPRQD-LLVKDONJSA-N 1 2 227.352 0.395 20 0 BCADLO CS(=O)(=O)CC1(COCc2[nH]cc[nH+]2)CC1 ZINC000346623948 354995488 /nfs/dbraw/zinc/99/54/88/354995488.db2.gz GBORXVQQFQQXSP-UHFFFAOYSA-N 1 2 244.316 0.751 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncnn2C)[C@H]1C ZINC000346678341 355009927 /nfs/dbraw/zinc/00/99/27/355009927.db2.gz YMYJFWSJXOCIAU-DTWKUNHWSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncnn2C)[C@H]1C ZINC000346678341 355009929 /nfs/dbraw/zinc/00/99/29/355009929.db2.gz YMYJFWSJXOCIAU-DTWKUNHWSA-N 1 2 238.291 0.199 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366953151 355017239 /nfs/dbraw/zinc/01/72/39/355017239.db2.gz SDMDTLBIOBAURY-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366953151 355017240 /nfs/dbraw/zinc/01/72/40/355017240.db2.gz SDMDTLBIOBAURY-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO CCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335185579 355083932 /nfs/dbraw/zinc/08/39/32/355083932.db2.gz CECFETMFXKXABK-MRVPVSSYSA-N 1 2 229.305 0.896 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213536 355050941 /nfs/dbraw/zinc/05/09/41/355050941.db2.gz CRXJOUNGRKLQSD-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213536 355050945 /nfs/dbraw/zinc/05/09/45/355050945.db2.gz CRXJOUNGRKLQSD-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnc(C)cn1 ZINC000351828653 535278463 /nfs/dbraw/zinc/27/84/63/535278463.db2.gz PFVMTCNKUCZOBF-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(C)cn1 ZINC000351828653 535278467 /nfs/dbraw/zinc/27/84/67/535278467.db2.gz PFVMTCNKUCZOBF-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO O=C(Cc1cccnc1)NCCn1cc[nH+]c1 ZINC000346729140 355088852 /nfs/dbraw/zinc/08/88/52/355088852.db2.gz CGFRNZLDWWSQMT-UHFFFAOYSA-N 1 2 230.271 0.637 20 0 BCADLO CC(C)OC[C@@H](O)COCc1[nH]cc[nH+]1 ZINC000346712696 355102304 /nfs/dbraw/zinc/10/23/04/355102304.db2.gz BUIIUYXBTUEUOR-VIFPVBQESA-N 1 2 214.265 0.712 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)C[C@H]1CCCO1 ZINC000346838976 355132647 /nfs/dbraw/zinc/13/26/47/355132647.db2.gz FYSHGJLAISXEHB-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@H]1CCCO1 ZINC000346838976 355132648 /nfs/dbraw/zinc/13/26/48/355132648.db2.gz FYSHGJLAISXEHB-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@@H](O)C1 ZINC000346842037 355134757 /nfs/dbraw/zinc/13/47/57/355134757.db2.gz VEZLBKBCVOHMAZ-DTWKUNHWSA-N 1 2 210.281 0.333 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@@H](O)C1 ZINC000346842037 355134761 /nfs/dbraw/zinc/13/47/61/355134761.db2.gz VEZLBKBCVOHMAZ-DTWKUNHWSA-N 1 2 210.281 0.333 20 0 BCADLO C[N@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346867923 355156927 /nfs/dbraw/zinc/15/69/27/355156927.db2.gz MDVCGTUSZHUVKV-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346867923 355156930 /nfs/dbraw/zinc/15/69/30/355156930.db2.gz MDVCGTUSZHUVKV-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000335253276 355209894 /nfs/dbraw/zinc/20/98/94/355209894.db2.gz IIHVKFIPXQJUHO-MRVPVSSYSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000335253276 355209895 /nfs/dbraw/zinc/20/98/95/355209895.db2.gz IIHVKFIPXQJUHO-MRVPVSSYSA-N 1 2 240.332 0.646 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ncnn1CC ZINC000639239360 355222734 /nfs/dbraw/zinc/22/27/34/355222734.db2.gz JBDMCHMCMKVSIH-NXEZZACHSA-N 1 2 240.307 0.192 20 0 BCADLO CC[C@H](C)[C@@H](C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244473 355231362 /nfs/dbraw/zinc/23/13/62/355231362.db2.gz OIYYZPSWAYSKQM-GXSJLCMTSA-N 1 2 249.376 0.776 20 0 BCADLO CCOCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113517687 355236313 /nfs/dbraw/zinc/23/63/13/355236313.db2.gz RUUOHJKUKMOSQY-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCOCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113517687 355236314 /nfs/dbraw/zinc/23/63/14/355236314.db2.gz RUUOHJKUKMOSQY-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)n1cc(C[N@H+](CCO)C2CC2)nn1 ZINC000347615707 355236702 /nfs/dbraw/zinc/23/67/02/355236702.db2.gz QSMYHKLJVGLEDN-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@@H+](CCO)C2CC2)nn1 ZINC000347615707 355236705 /nfs/dbraw/zinc/23/67/05/355236705.db2.gz QSMYHKLJVGLEDN-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000413492057 191388609 /nfs/dbraw/zinc/38/86/09/191388609.db2.gz JCPMQSJDXZZZFX-UWVGGRQHSA-N 1 2 225.292 0.719 20 0 BCADLO CSCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000335293061 355270517 /nfs/dbraw/zinc/27/05/17/355270517.db2.gz FWPLKQYLJMVSCQ-UHFFFAOYSA-N 1 2 225.317 0.978 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H]2CCOC2)nc[nH+]1 ZINC000413213078 191364228 /nfs/dbraw/zinc/36/42/28/191364228.db2.gz ZEGUHMXFVFLICP-DTWKUNHWSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H]2CCOC2)[nH+]cn1 ZINC000413213078 191364230 /nfs/dbraw/zinc/36/42/30/191364230.db2.gz ZEGUHMXFVFLICP-DTWKUNHWSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)C(=O)N(C)C ZINC000413272173 191367972 /nfs/dbraw/zinc/36/79/72/191367972.db2.gz XVGZHNGNWQXPJQ-QMMMGPOBSA-N 1 2 249.318 0.940 20 0 BCADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)C(=O)N(C)C ZINC000413272173 191367974 /nfs/dbraw/zinc/36/79/74/191367974.db2.gz XVGZHNGNWQXPJQ-QMMMGPOBSA-N 1 2 249.318 0.940 20 0 BCADLO CN(C)C(=O)c1ccccc1C[NH+]1CC(C)(O)C1 ZINC000639253203 355290575 /nfs/dbraw/zinc/29/05/75/355290575.db2.gz AIHDRVGKTNQGBE-UHFFFAOYSA-N 1 2 248.326 0.955 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335436302 355307733 /nfs/dbraw/zinc/30/77/33/355307733.db2.gz VWEHGSPMZKOEPU-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335436302 355307734 /nfs/dbraw/zinc/30/77/34/355307734.db2.gz VWEHGSPMZKOEPU-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335436304 355307798 /nfs/dbraw/zinc/30/77/98/355307798.db2.gz VWEHGSPMZKOEPU-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335436304 355307799 /nfs/dbraw/zinc/30/77/99/355307799.db2.gz VWEHGSPMZKOEPU-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H](CC(=O)N1CCOCC1)n1cc[nH+]c1 ZINC000008746668 355334134 /nfs/dbraw/zinc/33/41/34/355334134.db2.gz XXTSVKXUMKWNON-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000639275960 355352575 /nfs/dbraw/zinc/35/25/75/355352575.db2.gz KVHPBDFWGPSXPC-JTQLQIEISA-N 1 2 236.319 0.695 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000639275960 355352578 /nfs/dbraw/zinc/35/25/78/355352578.db2.gz KVHPBDFWGPSXPC-JTQLQIEISA-N 1 2 236.319 0.695 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000335779192 355405795 /nfs/dbraw/zinc/40/57/95/355405795.db2.gz VPIKKNUECMMZGJ-QMMMGPOBSA-N 1 2 242.348 0.436 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000335779192 355405799 /nfs/dbraw/zinc/40/57/99/355405799.db2.gz VPIKKNUECMMZGJ-QMMMGPOBSA-N 1 2 242.348 0.436 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782929 355430666 /nfs/dbraw/zinc/43/06/66/355430666.db2.gz CEXFUODVJAWQQX-MNOVXSKESA-N 1 2 248.330 0.725 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782929 355430669 /nfs/dbraw/zinc/43/06/69/355430669.db2.gz CEXFUODVJAWQQX-MNOVXSKESA-N 1 2 248.330 0.725 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3CC3)C[C@H]21 ZINC000335783893 355432021 /nfs/dbraw/zinc/43/20/21/355432021.db2.gz VWNQLWHYBWTXED-MNOVXSKESA-N 1 2 239.319 0.121 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCC3CC3)C[C@H]21 ZINC000335783893 355432027 /nfs/dbraw/zinc/43/20/27/355432027.db2.gz VWNQLWHYBWTXED-MNOVXSKESA-N 1 2 239.319 0.121 20 0 BCADLO COC(=O)CCCCNC(=O)Cn1cc[nH+]c1 ZINC000583538961 355398792 /nfs/dbraw/zinc/39/87/92/355398792.db2.gz DXPMDRJJWVUOCL-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349859603 355505869 /nfs/dbraw/zinc/50/58/69/355505869.db2.gz ASIHZMYXPXBUBI-UHFFFAOYSA-N 1 2 244.298 0.994 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349859603 355505872 /nfs/dbraw/zinc/50/58/72/355505872.db2.gz ASIHZMYXPXBUBI-UHFFFAOYSA-N 1 2 244.298 0.994 20 0 BCADLO C[C@@H](C(=O)NC1CCC1)[NH+]1CCOCC1 ZINC000335804029 355474297 /nfs/dbraw/zinc/47/42/97/355474297.db2.gz CHAWHJNHFVPCCU-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)on1 ZINC000335806808 355478464 /nfs/dbraw/zinc/47/84/64/355478464.db2.gz WINPRIOXBRISGY-VIFPVBQESA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@@H]2CO)on1 ZINC000335806808 355478465 /nfs/dbraw/zinc/47/84/65/355478465.db2.gz WINPRIOXBRISGY-VIFPVBQESA-N 1 2 228.317 0.893 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC(C)(C)C ZINC000335807916 355480885 /nfs/dbraw/zinc/48/08/85/355480885.db2.gz MXUSDKQQLZARGN-SNVBAGLBSA-N 1 2 248.392 0.998 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC(C)(C)C ZINC000335807916 355480888 /nfs/dbraw/zinc/48/08/88/355480888.db2.gz MXUSDKQQLZARGN-SNVBAGLBSA-N 1 2 248.392 0.998 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000335820504 355538530 /nfs/dbraw/zinc/53/85/30/355538530.db2.gz WPLWRCUCFWHSAF-PHIMTYICSA-N 1 2 235.287 0.663 20 0 BCADLO [NH3+][C@H](C(=O)NCC(F)(F)F)c1cscn1 ZINC000583559124 355609661 /nfs/dbraw/zinc/60/96/61/355609661.db2.gz BMZGYMWRSSDCMA-YFKPBYRVSA-N 1 2 239.222 0.821 20 0 BCADLO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000350227938 355653007 /nfs/dbraw/zinc/65/30/07/355653007.db2.gz SJUAKUMTIBRVHV-RKDXNWHRSA-N 1 2 247.245 0.206 20 0 BCADLO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000350227938 355653009 /nfs/dbraw/zinc/65/30/09/355653009.db2.gz SJUAKUMTIBRVHV-RKDXNWHRSA-N 1 2 247.245 0.206 20 0 BCADLO NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC(=O)CC1 ZINC000329654185 181203704 /nfs/dbraw/zinc/20/37/04/181203704.db2.gz FDULXVRKAGTDMA-NSHDSACASA-N 1 2 240.303 0.982 20 0 BCADLO NC(=O)[C@@H]1COCC[N@H+]1CC1CCC(=O)CC1 ZINC000329654185 181203706 /nfs/dbraw/zinc/20/37/06/181203706.db2.gz FDULXVRKAGTDMA-NSHDSACASA-N 1 2 240.303 0.982 20 0 BCADLO NC(=O)[C@@H]1CSCCN1CCn1cc[nH+]c1 ZINC000330646711 181204717 /nfs/dbraw/zinc/20/47/17/181204717.db2.gz IVPOAURCSMMKJX-VIFPVBQESA-N 1 2 240.332 0.836 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)CF ZINC000350475182 355711284 /nfs/dbraw/zinc/71/12/84/355711284.db2.gz CUVLQRIPCVHJFF-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CCN(CC(N)=O)Cc1c[nH+]cn1C(C)C ZINC000425332195 191812839 /nfs/dbraw/zinc/81/28/39/191812839.db2.gz CNBDPTWFCZPIEM-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO CC(C)(O)CNC(=O)CCCn1cc[nH+]c1 ZINC000608479098 355774064 /nfs/dbraw/zinc/77/40/64/355774064.db2.gz SYDWYKCAEMWBBR-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO C[N@@H+]1CCN(Cc2ccns2)[C@@H](CO)C1 ZINC000639335150 355767581 /nfs/dbraw/zinc/76/75/81/355767581.db2.gz ZFBOBARSOXOIAR-SECBINFHSA-N 1 2 227.333 0.251 20 0 BCADLO C[N@H+]1CCN(Cc2ccns2)[C@@H](CO)C1 ZINC000639335150 355767587 /nfs/dbraw/zinc/76/75/87/355767587.db2.gz ZFBOBARSOXOIAR-SECBINFHSA-N 1 2 227.333 0.251 20 0 BCADLO CO[C@@]1(C[N@@H+]2Cc3cnn(C)c3C2)CCOC1 ZINC000639322462 355723543 /nfs/dbraw/zinc/72/35/43/355723543.db2.gz PONDCYYBSLSNPL-GFCCVEGCSA-N 1 2 237.303 0.541 20 0 BCADLO CO[C@@]1(C[N@H+]2Cc3cnn(C)c3C2)CCOC1 ZINC000639322462 355723545 /nfs/dbraw/zinc/72/35/45/355723545.db2.gz PONDCYYBSLSNPL-GFCCVEGCSA-N 1 2 237.303 0.541 20 0 BCADLO CN1CC[N@H+](Cc2ccsc2)[C@H](CO)C1 ZINC000639337540 355775577 /nfs/dbraw/zinc/77/55/77/355775577.db2.gz SWEZXYIILCKXNW-NSHDSACASA-N 1 2 226.345 0.856 20 0 BCADLO CN1CC[N@@H+](Cc2ccsc2)[C@H](CO)C1 ZINC000639337540 355775579 /nfs/dbraw/zinc/77/55/79/355775579.db2.gz SWEZXYIILCKXNW-NSHDSACASA-N 1 2 226.345 0.856 20 0 BCADLO CN1CC[N@H+](Cc2ccsc2)[C@@H](CO)C1 ZINC000639337539 355775933 /nfs/dbraw/zinc/77/59/33/355775933.db2.gz SWEZXYIILCKXNW-LLVKDONJSA-N 1 2 226.345 0.856 20 0 BCADLO CN1CC[N@@H+](Cc2ccsc2)[C@@H](CO)C1 ZINC000639337539 355775938 /nfs/dbraw/zinc/77/59/38/355775938.db2.gz SWEZXYIILCKXNW-LLVKDONJSA-N 1 2 226.345 0.856 20 0 BCADLO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1c[nH]nn1 ZINC000639340388 355781949 /nfs/dbraw/zinc/78/19/49/355781949.db2.gz DSHKFGUBHNUDMW-DTWKUNHWSA-N 1 2 237.307 0.342 20 0 BCADLO Cc1cnc(C[NH2+]CCN2CC[C@H](O)C2)o1 ZINC000639358494 355812562 /nfs/dbraw/zinc/81/25/62/355812562.db2.gz ZOMVTJOXGBTNAS-JTQLQIEISA-N 1 2 225.292 0.139 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623254815 355855703 /nfs/dbraw/zinc/85/57/03/355855703.db2.gz ZNDLEMXSBYLNEZ-ZYHUDNBSSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623255180 355856875 /nfs/dbraw/zinc/85/68/75/355856875.db2.gz SCXOHUWNNVKORT-CKYFFXLPSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CC2 ZINC000623255453 355860027 /nfs/dbraw/zinc/86/00/27/355860027.db2.gz ILAIFVPLFNBGTD-WCBMZHEXSA-N 1 2 217.272 0.724 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000628368032 355862351 /nfs/dbraw/zinc/86/23/51/355862351.db2.gz IHJDVUMOAVKCOX-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000628368032 355862355 /nfs/dbraw/zinc/86/23/55/355862355.db2.gz IHJDVUMOAVKCOX-LLVKDONJSA-N 1 2 225.292 0.301 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368613 355864448 /nfs/dbraw/zinc/86/44/48/355864448.db2.gz OUSJEQLNOHVRAO-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368613 355864452 /nfs/dbraw/zinc/86/44/52/355864452.db2.gz OUSJEQLNOHVRAO-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO NC(=O)C1([NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000284134391 181215327 /nfs/dbraw/zinc/21/53/27/181215327.db2.gz UZROILMDJBOTJL-UHFFFAOYSA-N 1 2 222.292 0.688 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000628368985 355865165 /nfs/dbraw/zinc/86/51/65/355865165.db2.gz KDPWVMCIHPVNBC-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000628368985 355865166 /nfs/dbraw/zinc/86/51/66/355865166.db2.gz KDPWVMCIHPVNBC-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000628368986 355865416 /nfs/dbraw/zinc/86/54/16/355865416.db2.gz KDPWVMCIHPVNBC-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000628368986 355865421 /nfs/dbraw/zinc/86/54/21/355865421.db2.gz KDPWVMCIHPVNBC-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO NC(=O)C1([NH2+]Cc2ccn(C(F)F)n2)CC1 ZINC000336667881 181215803 /nfs/dbraw/zinc/21/58/03/181215803.db2.gz GBJJIJSJNXZGOO-UHFFFAOYSA-N 1 2 230.218 0.386 20 0 BCADLO NC(=O)CC1([NH2+]Cc2csnn2)CCC1 ZINC000336735405 181218751 /nfs/dbraw/zinc/21/87/51/181218751.db2.gz ODXSQAAPCDFBJY-UHFFFAOYSA-N 1 2 226.305 0.426 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000191782105 355924085 /nfs/dbraw/zinc/92/40/85/355924085.db2.gz NTPKIYWTUGENML-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000191782105 355924087 /nfs/dbraw/zinc/92/40/87/355924087.db2.gz NTPKIYWTUGENML-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256193 355935934 /nfs/dbraw/zinc/93/59/34/355935934.db2.gz AELJXTKDCAGELQ-QMMMGPOBSA-N 1 2 231.259 0.269 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H](O)C1CCC1 ZINC000623256864 355983950 /nfs/dbraw/zinc/98/39/50/355983950.db2.gz YBVPRDRDVXSPJB-ONGXEEELSA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)(C)[C@@H]([NH2+]Cc1ncccn1)C(N)=O ZINC000192101732 355949828 /nfs/dbraw/zinc/94/98/28/355949828.db2.gz SIYJNZIJDHPNCU-VIFPVBQESA-N 1 2 222.292 0.466 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257441 356038305 /nfs/dbraw/zinc/03/83/05/356038305.db2.gz KCIZFAUJRPVSMK-WPRPVWTQSA-N 1 2 223.276 0.085 20 0 BCADLO NC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273118540 181236869 /nfs/dbraw/zinc/23/68/69/181236869.db2.gz PFSIMKJXKWJUGJ-QMMMGPOBSA-N 1 2 230.214 0.073 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000336067680 134071182 /nfs/dbraw/zinc/07/11/82/134071182.db2.gz DODSWFGKSBIVKR-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000336067680 134071183 /nfs/dbraw/zinc/07/11/83/134071183.db2.gz DODSWFGKSBIVKR-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201952 181231397 /nfs/dbraw/zinc/23/13/97/181231397.db2.gz PZPHKRCTSYTNPN-POYBYMJQSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201952 181231399 /nfs/dbraw/zinc/23/13/99/181231399.db2.gz PZPHKRCTSYTNPN-POYBYMJQSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000074449945 181233359 /nfs/dbraw/zinc/23/33/59/181233359.db2.gz NUAZBKTZFANKSS-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO NC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000074449945 181233361 /nfs/dbraw/zinc/23/33/61/181233361.db2.gz NUAZBKTZFANKSS-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)o1 ZINC000623257822 356028762 /nfs/dbraw/zinc/02/87/62/356028762.db2.gz VZZINVHAKASPMB-SECBINFHSA-N 1 2 246.270 0.843 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258212 356065441 /nfs/dbraw/zinc/06/54/41/356065441.db2.gz KLSREGYMLHKOCE-SKDRFNHKSA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351719803 356070198 /nfs/dbraw/zinc/07/01/98/356070198.db2.gz JKZRKTONTKKOEK-TUAOUCFPSA-N 1 2 240.347 0.820 20 0 BCADLO CC(C)[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351719803 356070201 /nfs/dbraw/zinc/07/02/01/356070201.db2.gz JKZRKTONTKKOEK-TUAOUCFPSA-N 1 2 240.347 0.820 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000367128880 356078094 /nfs/dbraw/zinc/07/80/94/356078094.db2.gz INAGJKFXEYMVFY-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000367128880 356078101 /nfs/dbraw/zinc/07/81/01/356078101.db2.gz INAGJKFXEYMVFY-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO O=C(COC(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623258711 356085485 /nfs/dbraw/zinc/08/54/85/356085485.db2.gz BUAKGGHBNKZOKL-LURJTMIESA-N 1 2 231.202 0.163 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(F)cn1 ZINC000623259017 356087618 /nfs/dbraw/zinc/08/76/18/356087618.db2.gz NKWJDJAPSYBXMB-SECBINFHSA-N 1 2 246.245 0.772 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623259584 356089726 /nfs/dbraw/zinc/08/97/26/356089726.db2.gz DUQAINOPMDSWBE-MWLCHTKSSA-N 1 2 235.287 0.349 20 0 BCADLO CC1(C)CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623260271 356096920 /nfs/dbraw/zinc/09/69/20/356096920.db2.gz ZVYASUZWLDNASI-KOLCDFICSA-N 1 2 249.314 0.882 20 0 BCADLO NC(=O)NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000181449996 181254308 /nfs/dbraw/zinc/25/43/08/181254308.db2.gz DDAYETUZPODABP-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO NC(=O)NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000181449996 181254312 /nfs/dbraw/zinc/25/43/12/181254312.db2.gz DDAYETUZPODABP-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO COc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)on1 ZINC000623262174 356162774 /nfs/dbraw/zinc/16/27/74/356162774.db2.gz QXQGAJKUNZINEU-SSDOTTSWSA-N 1 2 248.242 0.234 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCCCCO2)C1 ZINC000351894434 356164026 /nfs/dbraw/zinc/16/40/26/356164026.db2.gz SCAHGXKNWQKUQR-JTQLQIEISA-N 1 2 228.292 0.261 20 0 BCADLO Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000335919132 356166057 /nfs/dbraw/zinc/16/60/57/356166057.db2.gz OMYNTQYOXMLPDJ-LLVKDONJSA-N 1 2 234.303 0.227 20 0 BCADLO Cn1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000335919132 356166061 /nfs/dbraw/zinc/16/60/61/356166061.db2.gz OMYNTQYOXMLPDJ-LLVKDONJSA-N 1 2 234.303 0.227 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132779884 181255067 /nfs/dbraw/zinc/25/50/67/181255067.db2.gz ROACLUHVZMYXTD-UHFFFAOYSA-N 1 2 239.300 0.301 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132779884 181255068 /nfs/dbraw/zinc/25/50/68/181255068.db2.gz ROACLUHVZMYXTD-UHFFFAOYSA-N 1 2 239.300 0.301 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262748 356171788 /nfs/dbraw/zinc/17/17/88/356171788.db2.gz NPUDRQKKIOQHNV-NGZCFLSTSA-N 1 2 235.287 0.349 20 0 BCADLO NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105062020 181258395 /nfs/dbraw/zinc/25/83/95/181258395.db2.gz IBXWFMDBRFXGMN-UHFFFAOYSA-N 1 2 208.265 0.942 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094488 134079611 /nfs/dbraw/zinc/07/96/11/134079611.db2.gz HERXXGSBULAKMW-JGVFFNPUSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094488 134079612 /nfs/dbraw/zinc/07/96/12/134079612.db2.gz HERXXGSBULAKMW-JGVFFNPUSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336094488 134079613 /nfs/dbraw/zinc/07/96/13/134079613.db2.gz HERXXGSBULAKMW-JGVFFNPUSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336094488 134079614 /nfs/dbraw/zinc/07/96/14/134079614.db2.gz HERXXGSBULAKMW-JGVFFNPUSA-N 1 2 208.265 0.455 20 0 BCADLO CC(C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336096046 134079992 /nfs/dbraw/zinc/07/99/92/134079992.db2.gz BDXQCTGSUJJREN-SECBINFHSA-N 1 2 222.292 0.906 20 0 BCADLO O=C(Cc1ccoc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261265 356143949 /nfs/dbraw/zinc/14/39/49/356143949.db2.gz IPJLNKKKTZPNGK-JTQLQIEISA-N 1 2 231.255 0.760 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261250 356144081 /nfs/dbraw/zinc/14/40/81/356144081.db2.gz IAQJTGGKFWDDOH-BXKDBHETSA-N 1 2 237.303 0.331 20 0 BCADLO O=C(Cc1cncs1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261160 356148308 /nfs/dbraw/zinc/14/83/08/356148308.db2.gz BUTWCCPYQKUKKR-QMMMGPOBSA-N 1 2 248.311 0.623 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623261563 356149103 /nfs/dbraw/zinc/14/91/03/356149103.db2.gz XHTFNRGVIUALKA-GXSJLCMTSA-N 1 2 237.303 0.595 20 0 BCADLO CO[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623261566 356149179 /nfs/dbraw/zinc/14/91/79/356149179.db2.gz XHTFNRGVIUALKA-ONGXEEELSA-N 1 2 237.303 0.595 20 0 BCADLO CC(=O)CN1CCC[N@H+](CC(C)=O)CC1 ZINC000639439306 356216801 /nfs/dbraw/zinc/21/68/01/356216801.db2.gz GMPPHRVNJLNATR-UHFFFAOYSA-N 1 2 212.293 0.172 20 0 BCADLO CC(=O)CN1CCC[N@@H+](CC(C)=O)CC1 ZINC000639439306 356216803 /nfs/dbraw/zinc/21/68/03/356216803.db2.gz GMPPHRVNJLNATR-UHFFFAOYSA-N 1 2 212.293 0.172 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(O)CCCCC1 ZINC000623264368 356235733 /nfs/dbraw/zinc/23/57/33/356235733.db2.gz JUTLSXVVGWWOIQ-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO CN1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639445734 356226952 /nfs/dbraw/zinc/22/69/52/356226952.db2.gz MUGBAIUYHPDNAG-GFCCVEGCSA-N 1 2 237.347 0.387 20 0 BCADLO Cc1cccnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263990 356227963 /nfs/dbraw/zinc/22/79/63/356227963.db2.gz CHCRYRAZRWSAJC-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000332655550 181260188 /nfs/dbraw/zinc/26/01/88/181260188.db2.gz MNUAUYJWTLFJEU-SSDOTTSWSA-N 1 2 226.305 0.386 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000332655550 181260189 /nfs/dbraw/zinc/26/01/89/181260189.db2.gz MNUAUYJWTLFJEU-SSDOTTSWSA-N 1 2 226.305 0.386 20 0 BCADLO COc1ccc[nH+]c1NC[C@]1(O)CCOC1 ZINC000227170493 324827187 /nfs/dbraw/zinc/82/71/87/324827187.db2.gz SVKSGVGUHFXRNW-LLVKDONJSA-N 1 2 224.260 0.654 20 0 BCADLO O=C(CCOCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264757 356236391 /nfs/dbraw/zinc/23/63/91/356236391.db2.gz SLJOCQVFPKWQQE-LLVKDONJSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000623264715 356236399 /nfs/dbraw/zinc/23/63/99/356236399.db2.gz RJJYNCPUBSYBKC-YJQGPUDQSA-N 1 2 231.299 0.970 20 0 BCADLO COCCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623263082 356198091 /nfs/dbraw/zinc/19/80/91/356198091.db2.gz BJEWTNCKNVOIHH-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO Cc1nnccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263173 356198269 /nfs/dbraw/zinc/19/82/69/356198269.db2.gz FAFWMSZIISQRIO-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO COCCN1C(=O)C2(CC2)N[C@H]1c1c[nH]c[nH+]1 ZINC000639425698 356206992 /nfs/dbraw/zinc/20/69/92/356206992.db2.gz AQNWJVRVVLVWGX-SECBINFHSA-N 1 2 236.275 0.019 20 0 BCADLO CCc1ocnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266126 356303186 /nfs/dbraw/zinc/30/31/86/356303186.db2.gz RXSWNGACCDTUFH-MRVPVSSYSA-N 1 2 246.270 0.788 20 0 BCADLO CC(=O)CN1CC[NH+](CCOC(C)C)CC1 ZINC000639506966 356334272 /nfs/dbraw/zinc/33/42/72/356334272.db2.gz FMYBRCYVLWFPBT-UHFFFAOYSA-N 1 2 228.336 0.618 20 0 BCADLO CC(=O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000639508545 356337335 /nfs/dbraw/zinc/33/73/35/356337335.db2.gz NOSYUEASTHCHPH-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO O=c1cc(C[N@@H+]2CCN(C3CC3)C(=O)C2)cc[nH]1 ZINC000639511135 356345146 /nfs/dbraw/zinc/34/51/46/356345146.db2.gz NAEJCYLGOVXBJL-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO O=c1cc(C[N@H+]2CCN(C3CC3)C(=O)C2)cc[nH]1 ZINC000639511135 356345148 /nfs/dbraw/zinc/34/51/48/356345148.db2.gz NAEJCYLGOVXBJL-UHFFFAOYSA-N 1 2 247.298 0.594 20 0 BCADLO CC1(C[N@@H+]2CCN3C(=O)N=NC3C2)CCC1 ZINC000336138706 134096858 /nfs/dbraw/zinc/09/68/58/134096858.db2.gz IXEJGBVUROJKBJ-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CC1(C[N@H+]2CCN3C(=O)N=NC3C2)CCC1 ZINC000336138706 134096859 /nfs/dbraw/zinc/09/68/59/134096859.db2.gz IXEJGBVUROJKBJ-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CC1(C[N@@H+]2CCn3c(n[nH]c3=O)C2)CCC1 ZINC000336138706 134096860 /nfs/dbraw/zinc/09/68/60/134096860.db2.gz IXEJGBVUROJKBJ-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CC1(C[N@H+]2CCn3c(n[nH]c3=O)C2)CCC1 ZINC000336138706 134096861 /nfs/dbraw/zinc/09/68/61/134096861.db2.gz IXEJGBVUROJKBJ-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CN1CC[N@H+](CCc2cnccn2)C(C)(C)C1=O ZINC000639513280 356350715 /nfs/dbraw/zinc/35/07/15/356350715.db2.gz ISVLQHUQWOVXTB-UHFFFAOYSA-N 1 2 248.330 0.572 20 0 BCADLO CN1CC[N@@H+](CCc2cnccn2)C(C)(C)C1=O ZINC000639513280 356350717 /nfs/dbraw/zinc/35/07/17/356350717.db2.gz ISVLQHUQWOVXTB-UHFFFAOYSA-N 1 2 248.330 0.572 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@H](C)O)n1C ZINC000352185490 134097454 /nfs/dbraw/zinc/09/74/54/134097454.db2.gz CYOCPUABDRZTRV-VIFPVBQESA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)O)n1C ZINC000352185490 134097455 /nfs/dbraw/zinc/09/74/55/134097455.db2.gz CYOCPUABDRZTRV-VIFPVBQESA-N 1 2 226.324 0.580 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1nnc[nH]1 ZINC000639515134 356356689 /nfs/dbraw/zinc/35/66/89/356356689.db2.gz QGICAEUCLSEVLK-IUCAKERBSA-N 1 2 210.281 0.662 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+](C)Cc1nnc[nH]1 ZINC000639515134 356356693 /nfs/dbraw/zinc/35/66/93/356356693.db2.gz QGICAEUCLSEVLK-IUCAKERBSA-N 1 2 210.281 0.662 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1nnc[nH]1 ZINC000639515135 356356725 /nfs/dbraw/zinc/35/67/25/356356725.db2.gz QGICAEUCLSEVLK-RKDXNWHRSA-N 1 2 210.281 0.662 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+](C)Cc1nnc[nH]1 ZINC000639515135 356356729 /nfs/dbraw/zinc/35/67/29/356356729.db2.gz QGICAEUCLSEVLK-RKDXNWHRSA-N 1 2 210.281 0.662 20 0 BCADLO CC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000639518041 356360063 /nfs/dbraw/zinc/36/00/63/356360063.db2.gz WSPAXYCCXBADAH-UHFFFAOYSA-N 1 2 208.261 0.465 20 0 BCADLO CC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000639518041 356360065 /nfs/dbraw/zinc/36/00/65/356360065.db2.gz WSPAXYCCXBADAH-UHFFFAOYSA-N 1 2 208.261 0.465 20 0 BCADLO NC(=O)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270561274 181270387 /nfs/dbraw/zinc/27/03/87/181270387.db2.gz JQVIEGXHUQSWNW-MRVPVSSYSA-N 1 2 230.271 0.875 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(CC)[nH+]cn1 ZINC000049217248 356377773 /nfs/dbraw/zinc/37/77/73/356377773.db2.gz BTOXEFYVZIEVIE-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO CC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000639532211 356381718 /nfs/dbraw/zinc/38/17/18/356381718.db2.gz DEMLEILGHLPQGS-MNOVXSKESA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000639532211 356381719 /nfs/dbraw/zinc/38/17/19/356381719.db2.gz DEMLEILGHLPQGS-MNOVXSKESA-N 1 2 247.360 0.863 20 0 BCADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)n1cccn1 ZINC000623270657 356385244 /nfs/dbraw/zinc/38/52/44/356385244.db2.gz LLZNVMITKHPLSK-ZJUUUORDSA-N 1 2 245.286 0.382 20 0 BCADLO CCO[C@H](CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271057 356385829 /nfs/dbraw/zinc/38/58/29/356385829.db2.gz RNTYRPMMPQTYLV-MWLCHTKSSA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271031 356385872 /nfs/dbraw/zinc/38/58/72/356385872.db2.gz RAOYFGZLCZZCOD-SECBINFHSA-N 1 2 223.276 0.349 20 0 BCADLO CCOCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623272819 356396569 /nfs/dbraw/zinc/39/65/69/356396569.db2.gz CNSILWYWODWMFA-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO CCc1nc(CN2CC[N@@H+](CC)C[C@H]2C)n[nH]1 ZINC000352664483 356400882 /nfs/dbraw/zinc/40/08/82/356400882.db2.gz BWUXMJKOMLGNBH-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](CC)C[C@H]2C)n[nH]1 ZINC000352664483 356400883 /nfs/dbraw/zinc/40/08/83/356400883.db2.gz BWUXMJKOMLGNBH-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CC(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336144860 134101650 /nfs/dbraw/zinc/10/16/50/134101650.db2.gz QYGCWRBHQVHZGD-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cnn1C ZINC000623276703 356417099 /nfs/dbraw/zinc/41/70/99/356417099.db2.gz HWRHNFYJPSFRGK-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352815903 356422423 /nfs/dbraw/zinc/42/24/23/356422423.db2.gz LROVNAQIASLYGP-VWYCJHECSA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352815903 356422427 /nfs/dbraw/zinc/42/24/27/356422427.db2.gz LROVNAQIASLYGP-VWYCJHECSA-N 1 2 245.319 0.410 20 0 BCADLO CC[NH2+]CCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000420411259 192239351 /nfs/dbraw/zinc/23/93/51/192239351.db2.gz BIAUEIZEEQCJFR-ZCFIWIBFSA-N 1 2 248.270 0.466 20 0 BCADLO CC(=O)CCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278395 356427320 /nfs/dbraw/zinc/42/73/20/356427320.db2.gz VCZWKGZEHNRPMU-JTQLQIEISA-N 1 2 235.287 0.683 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ncc[nH]1 ZINC000368965720 181274038 /nfs/dbraw/zinc/27/40/38/181274038.db2.gz VMGSKJWWYDTXJQ-KKZNHRDASA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ncc[nH]1 ZINC000368965720 181274040 /nfs/dbraw/zinc/27/40/40/181274040.db2.gz VMGSKJWWYDTXJQ-KKZNHRDASA-N 1 2 234.303 0.496 20 0 BCADLO COC(=O)CSCCn1cc[nH+]c1 ZINC000379393143 356453071 /nfs/dbraw/zinc/45/30/71/356453071.db2.gz UBLCPXRTEFPFIV-UHFFFAOYSA-N 1 2 200.263 0.789 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ncc[nH]1 ZINC000368965721 181275871 /nfs/dbraw/zinc/27/58/71/181275871.db2.gz VMGSKJWWYDTXJQ-NGZCFLSTSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ncc[nH]1 ZINC000368965721 181275872 /nfs/dbraw/zinc/27/58/72/181275872.db2.gz VMGSKJWWYDTXJQ-NGZCFLSTSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH]cn1 ZINC000375492338 181275901 /nfs/dbraw/zinc/27/59/01/181275901.db2.gz DIXHZLZVNUMNDX-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c[nH]cn1 ZINC000375492338 181275903 /nfs/dbraw/zinc/27/59/03/181275903.db2.gz DIXHZLZVNUMNDX-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc[nH]1 ZINC000375492338 181275904 /nfs/dbraw/zinc/27/59/04/181275904.db2.gz DIXHZLZVNUMNDX-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc[nH]1 ZINC000375492338 181275906 /nfs/dbraw/zinc/27/59/06/181275906.db2.gz DIXHZLZVNUMNDX-MIMYLULJSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH]cn1 ZINC000375492337 181276448 /nfs/dbraw/zinc/27/64/48/181276448.db2.gz DIXHZLZVNUMNDX-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c[nH]cn1 ZINC000375492337 181276450 /nfs/dbraw/zinc/27/64/50/181276450.db2.gz DIXHZLZVNUMNDX-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnc[nH]1 ZINC000375492337 181276454 /nfs/dbraw/zinc/27/64/54/181276454.db2.gz DIXHZLZVNUMNDX-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnc[nH]1 ZINC000375492337 181276455 /nfs/dbraw/zinc/27/64/55/181276455.db2.gz DIXHZLZVNUMNDX-LSJOCFKGSA-N 1 2 234.303 0.496 20 0 BCADLO CC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000639551330 356434617 /nfs/dbraw/zinc/43/46/17/356434617.db2.gz MPOJECIOMMHUDZ-UHFFFAOYSA-N 1 2 237.278 0.932 20 0 BCADLO CC[N@@H+](Cc1nc(CCOC)no1)C[C@H](C)O ZINC000352219036 134109139 /nfs/dbraw/zinc/10/91/39/134109139.db2.gz BGTKEIQOPBXYOQ-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1nc(CCOC)no1)C[C@H](C)O ZINC000352219036 134109140 /nfs/dbraw/zinc/10/91/40/134109140.db2.gz BGTKEIQOPBXYOQ-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000420770601 192259757 /nfs/dbraw/zinc/25/97/57/192259757.db2.gz ZEZJIBQGNIDPMS-LLVKDONJSA-N 1 2 243.351 0.664 20 0 BCADLO Cc1ccc(N[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000049509229 356472748 /nfs/dbraw/zinc/47/27/48/356472748.db2.gz WIXDFYRJMOPLHW-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000578092085 366242954 /nfs/dbraw/zinc/24/29/54/366242954.db2.gz SVRUVSZFLWZRCC-UWVGGRQHSA-N 1 2 223.276 0.256 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H](C)O)CCCC1 ZINC000193000428 356493320 /nfs/dbraw/zinc/49/33/20/356493320.db2.gz RJSDEIHLEHMENJ-MRVPVSSYSA-N 1 2 201.266 0.443 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000092735633 181283521 /nfs/dbraw/zinc/28/35/21/181283521.db2.gz OOQCCKPINGCIBG-LLVKDONJSA-N 1 2 236.271 0.078 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000092735633 181283523 /nfs/dbraw/zinc/28/35/23/181283523.db2.gz OOQCCKPINGCIBG-LLVKDONJSA-N 1 2 236.271 0.078 20 0 BCADLO CC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000639582104 356502899 /nfs/dbraw/zinc/50/28/99/356502899.db2.gz QZQDMKHRVOKEAB-VIFPVBQESA-N 1 2 218.260 0.969 20 0 BCADLO CCN1CC[N@H+](CCc2cnccn2)CC1=O ZINC000639584505 356507107 /nfs/dbraw/zinc/50/71/07/356507107.db2.gz YFTMJACBUIJLNJ-UHFFFAOYSA-N 1 2 234.303 0.183 20 0 BCADLO CCN1CC[N@@H+](CCc2cnccn2)CC1=O ZINC000639584505 356507111 /nfs/dbraw/zinc/50/71/11/356507111.db2.gz YFTMJACBUIJLNJ-UHFFFAOYSA-N 1 2 234.303 0.183 20 0 BCADLO CC(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000639601055 356520529 /nfs/dbraw/zinc/52/05/29/356520529.db2.gz NCDZXERJBLMBGJ-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CC(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000639601055 356520531 /nfs/dbraw/zinc/52/05/31/356520531.db2.gz NCDZXERJBLMBGJ-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CC1(C)CO[C@H](C[N@@H+]2CCc3nn[nH]c3C2)C1 ZINC000639608562 356531294 /nfs/dbraw/zinc/53/12/94/356531294.db2.gz GABUHGIYQAZDJY-VIFPVBQESA-N 1 2 236.319 0.978 20 0 BCADLO CC1(C)CO[C@H](C[N@H+]2CCc3nn[nH]c3C2)C1 ZINC000639608562 356531299 /nfs/dbraw/zinc/53/12/99/356531299.db2.gz GABUHGIYQAZDJY-VIFPVBQESA-N 1 2 236.319 0.978 20 0 BCADLO CC(=O)CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000639630643 356545483 /nfs/dbraw/zinc/54/54/83/356545483.db2.gz VTQPCXPSXOMMED-CYBMUJFWSA-N 1 2 240.347 0.620 20 0 BCADLO CC[C@@H]1C[N@H+](CC(C)=O)C[C@]2(CCOC2)O1 ZINC000639620805 356541115 /nfs/dbraw/zinc/54/11/15/356541115.db2.gz OHJRNVZOINTUAK-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(C)=O)C[C@]2(CCOC2)O1 ZINC000639620805 356541118 /nfs/dbraw/zinc/54/11/18/356541118.db2.gz OHJRNVZOINTUAK-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO Cn1ccnc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000350408871 366277674 /nfs/dbraw/zinc/27/76/74/366277674.db2.gz BYOCOSDGZHLDEC-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)o1 ZINC000449770018 202029007 /nfs/dbraw/zinc/02/90/07/202029007.db2.gz IEKHNZSOEUTYIC-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)o1 ZINC000449770018 202029009 /nfs/dbraw/zinc/02/90/09/202029009.db2.gz IEKHNZSOEUTYIC-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO CC(C)[N@@H+](Cc1cscn1)C[C@@H](O)CO ZINC000420995988 192294406 /nfs/dbraw/zinc/29/44/06/192294406.db2.gz IYHGMPGHHCAJGT-SNVBAGLBSA-N 1 2 230.333 0.707 20 0 BCADLO CC(C)[N@H+](Cc1cscn1)C[C@@H](O)CO ZINC000420995988 192294409 /nfs/dbraw/zinc/29/44/09/192294409.db2.gz IYHGMPGHHCAJGT-SNVBAGLBSA-N 1 2 230.333 0.707 20 0 BCADLO CCn1ccnc1C[N@H+](C[C@H](O)CO)C(C)C ZINC000421006624 192297305 /nfs/dbraw/zinc/29/73/05/192297305.db2.gz WIYWATUCLYHRPV-NSHDSACASA-N 1 2 241.335 0.467 20 0 BCADLO CCn1ccnc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000421006624 192297307 /nfs/dbraw/zinc/29/73/07/192297307.db2.gz WIYWATUCLYHRPV-NSHDSACASA-N 1 2 241.335 0.467 20 0 BCADLO CCOCCCCNC(=O)Cn1cc[nH+]c1 ZINC000613525143 363474012 /nfs/dbraw/zinc/47/40/12/363474012.db2.gz DHHUJSOMESNUJC-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297555 356549471 /nfs/dbraw/zinc/54/94/71/356549471.db2.gz HNYHAGRBHSTARE-WCABBAIRSA-N 1 2 219.288 0.970 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cnccn1 ZINC000623297481 356549932 /nfs/dbraw/zinc/54/99/32/356549932.db2.gz FXASVANDUJXTHH-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc[nH]1 ZINC000623298173 356551288 /nfs/dbraw/zinc/55/12/88/356551288.db2.gz XIERRMZDMWJUQY-SECBINFHSA-N 1 2 230.271 0.956 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H](O)C1CCC1 ZINC000623299276 356556641 /nfs/dbraw/zinc/55/66/41/356556641.db2.gz VCIGGBRTQOKGRE-ZYHUDNBSSA-N 1 2 249.314 0.475 20 0 BCADLO CCN1CC(=O)N[C@H]1c1cc(OC)cc(C)[nH+]1 ZINC000352280396 134129552 /nfs/dbraw/zinc/12/95/52/134129552.db2.gz QTJFBYXBYYSYPG-GFCCVEGCSA-N 1 2 235.287 0.849 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299749 356559688 /nfs/dbraw/zinc/55/96/88/356559688.db2.gz CCNKMRJREAUSCD-ONGXEEELSA-N 1 2 237.303 0.475 20 0 BCADLO CC(=O)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000639651009 356561759 /nfs/dbraw/zinc/56/17/59/356561759.db2.gz MCDQQSACGSVWRY-LLVKDONJSA-N 1 2 240.347 0.761 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@H]12 ZINC000639653411 356564827 /nfs/dbraw/zinc/56/48/27/356564827.db2.gz ZUZPMMFNEZQYHS-URLYPYJESA-N 1 2 249.314 0.692 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@H]12 ZINC000639653411 356564832 /nfs/dbraw/zinc/56/48/32/356564832.db2.gz ZUZPMMFNEZQYHS-URLYPYJESA-N 1 2 249.314 0.692 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000639666397 356580709 /nfs/dbraw/zinc/58/07/09/356580709.db2.gz QUPWSPAQYCVZAB-SFYZADRCSA-N 1 2 225.210 0.821 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000639666397 356580714 /nfs/dbraw/zinc/58/07/14/356580714.db2.gz QUPWSPAQYCVZAB-SFYZADRCSA-N 1 2 225.210 0.821 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cnns1 ZINC000623302448 356582076 /nfs/dbraw/zinc/58/20/76/356582076.db2.gz GWJSIMACBYPLJY-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303088 356584179 /nfs/dbraw/zinc/58/41/79/356584179.db2.gz VQJXYVCZKSNAOX-MVWJERBFSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CO1 ZINC000623303019 356584512 /nfs/dbraw/zinc/58/45/12/356584512.db2.gz UNRDNJKUCZDZJX-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO CCC(F)(F)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000639671187 356587333 /nfs/dbraw/zinc/58/73/33/356587333.db2.gz UCFPPZIMKJGTTN-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO CCC(F)(F)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000639671187 356587334 /nfs/dbraw/zinc/58/73/34/356587334.db2.gz UCFPPZIMKJGTTN-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCCO1 ZINC000623307751 356613064 /nfs/dbraw/zinc/61/30/64/356613064.db2.gz NSQPTQPQTZQTCY-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N1C ZINC000639689027 356597123 /nfs/dbraw/zinc/59/71/23/356597123.db2.gz UXABYTQJQIKENX-OPRDCNLKSA-N 1 2 241.335 0.014 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N1C ZINC000639689027 356597130 /nfs/dbraw/zinc/59/71/30/356597130.db2.gz UXABYTQJQIKENX-OPRDCNLKSA-N 1 2 241.335 0.014 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cocn1 ZINC000623304812 356598379 /nfs/dbraw/zinc/59/83/79/356598379.db2.gz FPOMUXBWJGDRRL-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639689270 356598667 /nfs/dbraw/zinc/59/86/67/356598667.db2.gz YQLCPVDVIDCVNV-KXUCPTDWSA-N 1 2 241.335 0.062 20 0 BCADLO CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639689270 356598669 /nfs/dbraw/zinc/59/86/69/356598669.db2.gz YQLCPVDVIDCVNV-KXUCPTDWSA-N 1 2 241.335 0.062 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305821 356606725 /nfs/dbraw/zinc/60/67/25/356606725.db2.gz AIYQGBDRNZYKKG-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000582233750 356634050 /nfs/dbraw/zinc/63/40/50/356634050.db2.gz AKDYXEHAJBFMTG-ZYHUDNBSSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cncnc1 ZINC000582233750 356634051 /nfs/dbraw/zinc/63/40/51/356634051.db2.gz AKDYXEHAJBFMTG-ZYHUDNBSSA-N 1 2 237.303 0.448 20 0 BCADLO CC[C@H](NC(=O)[C@@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000613578545 363521662 /nfs/dbraw/zinc/52/16/62/363521662.db2.gz CKIXWXIMSJYKJA-IUCAKERBSA-N 1 2 223.276 0.748 20 0 BCADLO C[C@@H](C[N@@H+]1CCOC(C)(C)C1)S(C)(=O)=O ZINC000450220056 202101103 /nfs/dbraw/zinc/10/11/03/202101103.db2.gz ZTUHFMXOXMEMDG-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H](C[N@H+]1CCOC(C)(C)C1)S(C)(=O)=O ZINC000450220056 202101106 /nfs/dbraw/zinc/10/11/06/202101106.db2.gz ZTUHFMXOXMEMDG-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2CC2)c[nH+]1 ZINC000379991750 538463829 /nfs/dbraw/zinc/46/38/29/538463829.db2.gz XZSRZXULRCLCJY-UHFFFAOYSA-N 1 2 206.249 0.224 20 0 BCADLO CNc1nc(N[C@H](C)CO)[nH+]c2ccccc21 ZINC000450237608 202104108 /nfs/dbraw/zinc/10/41/08/202104108.db2.gz OLHQIZFZXWQWMK-MRVPVSSYSA-N 1 2 232.287 0.308 20 0 BCADLO OCc1cc[nH+]c(NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000630094652 363537964 /nfs/dbraw/zinc/53/79/64/363537964.db2.gz JRASNTCDILOUOH-MNOVXSKESA-N 1 2 238.287 0.526 20 0 BCADLO OCc1cc[nH+]c(NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000630094654 363538073 /nfs/dbraw/zinc/53/80/73/363538073.db2.gz JRASNTCDILOUOH-QWRGUYRKSA-N 1 2 238.287 0.526 20 0 BCADLO C[C@@H](C1CC1)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091539100 491099310 /nfs/dbraw/zinc/09/93/10/491099310.db2.gz HLLJYEUCKBWZQK-ZETCQYMHSA-N 1 2 222.292 0.861 20 0 BCADLO C[C@@H](C1CC1)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091539100 491099311 /nfs/dbraw/zinc/09/93/11/491099311.db2.gz HLLJYEUCKBWZQK-ZETCQYMHSA-N 1 2 222.292 0.861 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286018 202117702 /nfs/dbraw/zinc/11/77/02/202117702.db2.gz GSUJIQFUPWSIQV-ZJUUUORDSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H](C[N@H+]1C[C@@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286018 202117706 /nfs/dbraw/zinc/11/77/06/202117706.db2.gz GSUJIQFUPWSIQV-ZJUUUORDSA-N 1 2 249.376 0.919 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H]2CCc3ncnn32)n1 ZINC000639748672 356641986 /nfs/dbraw/zinc/64/19/86/356641986.db2.gz FHAFDFKKJXFAGC-SECBINFHSA-N 1 2 248.290 0.589 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H]2CCc3ncnn32)n1 ZINC000639748672 356641988 /nfs/dbraw/zinc/64/19/88/356641988.db2.gz FHAFDFKKJXFAGC-SECBINFHSA-N 1 2 248.290 0.589 20 0 BCADLO c1nnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000450287043 202121395 /nfs/dbraw/zinc/12/13/95/202121395.db2.gz QDAHYDHOUNHKSL-UHFFFAOYSA-N 1 2 210.306 0.823 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000336413322 134146610 /nfs/dbraw/zinc/14/66/10/134146610.db2.gz OLICIJPKNJAIIH-BMIGLBTASA-N 1 2 226.345 0.978 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000336413322 134146611 /nfs/dbraw/zinc/14/66/11/134146611.db2.gz OLICIJPKNJAIIH-BMIGLBTASA-N 1 2 226.345 0.978 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000450332526 202131200 /nfs/dbraw/zinc/13/12/00/202131200.db2.gz NRLXCRIWENDQQG-LBPRGKRZSA-N 1 2 245.319 0.600 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000450332526 202131203 /nfs/dbraw/zinc/13/12/03/202131203.db2.gz NRLXCRIWENDQQG-LBPRGKRZSA-N 1 2 245.319 0.600 20 0 BCADLO CNc1nc(NCC(C)(C)O)[nH+]c2ccccc21 ZINC000450306060 202125165 /nfs/dbraw/zinc/12/51/65/202125165.db2.gz CCQXFSMZIVYQEF-UHFFFAOYSA-N 1 2 246.314 0.698 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000450345271 202136714 /nfs/dbraw/zinc/13/67/14/202136714.db2.gz ANZWSYYBNSGUJQ-PUTJDCORSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000450345271 202136716 /nfs/dbraw/zinc/13/67/16/202136716.db2.gz ANZWSYYBNSGUJQ-PUTJDCORSA-N 1 2 246.376 0.306 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC1(C(=O)OC)CC1 ZINC000450348792 202136985 /nfs/dbraw/zinc/13/69/85/202136985.db2.gz NCKWEZLARDWQOU-UHFFFAOYSA-N 1 2 243.303 0.871 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000450345269 202138060 /nfs/dbraw/zinc/13/80/60/202138060.db2.gz ANZWSYYBNSGUJQ-LYGAQUJYSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000450345269 202138063 /nfs/dbraw/zinc/13/80/63/202138063.db2.gz ANZWSYYBNSGUJQ-LYGAQUJYSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CC(C)(C(N)=O)C1 ZINC000582239154 356668992 /nfs/dbraw/zinc/66/89/92/356668992.db2.gz OTNUIYAJKOATAJ-QMMMGPOBSA-N 1 2 242.319 0.524 20 0 BCADLO CCC[C@H](O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000450365662 202145150 /nfs/dbraw/zinc/14/51/50/202145150.db2.gz RCOUWEMXMHDVNM-OLZOCXBDSA-N 1 2 244.379 0.800 20 0 BCADLO CCC[C@H](O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000450365662 202145153 /nfs/dbraw/zinc/14/51/53/202145153.db2.gz RCOUWEMXMHDVNM-OLZOCXBDSA-N 1 2 244.379 0.800 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000450384802 202148239 /nfs/dbraw/zinc/14/82/39/202148239.db2.gz BVSAUIBFCHLWRL-OUAUKWLOSA-N 1 2 249.376 0.919 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000450384802 202148242 /nfs/dbraw/zinc/14/82/42/202148242.db2.gz BVSAUIBFCHLWRL-OUAUKWLOSA-N 1 2 249.376 0.919 20 0 BCADLO NC(=O)c1cc(C(=O)Nc2cc[nH+]cc2O)co1 ZINC000353878703 181288455 /nfs/dbraw/zinc/28/84/55/181288455.db2.gz ZALLTTCEWNSTPU-UHFFFAOYSA-N 1 2 247.210 0.153 20 0 BCADLO c1nn[nH]c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000450390879 202150432 /nfs/dbraw/zinc/15/04/32/202150432.db2.gz MOWIPBLKSRYUJF-LBPRGKRZSA-N 1 2 235.335 0.865 20 0 BCADLO CC[N@H+](Cc1ccnc(C)n1)[C@@H]1CCNC1=O ZINC000353327957 356709707 /nfs/dbraw/zinc/70/97/07/356709707.db2.gz FPHSGQMPYQOKFR-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1ccnc(C)n1)[C@@H]1CCNC1=O ZINC000353327957 356709710 /nfs/dbraw/zinc/70/97/10/356709710.db2.gz FPHSGQMPYQOKFR-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CCc1nnc(C[NH+](CCOC)CCOC)o1 ZINC000054145942 363562509 /nfs/dbraw/zinc/56/25/09/363562509.db2.gz BCTRUHAMZUDNNL-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000054172103 363563712 /nfs/dbraw/zinc/56/37/12/363563712.db2.gz LZWFCYUAJIUYHT-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000054172103 363563717 /nfs/dbraw/zinc/56/37/17/363563717.db2.gz LZWFCYUAJIUYHT-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172461 363564334 /nfs/dbraw/zinc/56/43/34/363564334.db2.gz PMLCPQPHCOZGIG-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172461 363564337 /nfs/dbraw/zinc/56/43/37/363564337.db2.gz PMLCPQPHCOZGIG-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172462 363564422 /nfs/dbraw/zinc/56/44/22/363564422.db2.gz PMLCPQPHCOZGIG-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172462 363564431 /nfs/dbraw/zinc/56/44/31/363564431.db2.gz PMLCPQPHCOZGIG-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000450424003 202163474 /nfs/dbraw/zinc/16/34/74/202163474.db2.gz JQQSKROJDDSWTA-SECBINFHSA-N 1 2 246.314 0.698 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778759 356724742 /nfs/dbraw/zinc/72/47/42/356724742.db2.gz SYSXQWMRVCKWDX-NSHDSACASA-N 1 2 232.291 0.907 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778759 356724743 /nfs/dbraw/zinc/72/47/43/356724743.db2.gz SYSXQWMRVCKWDX-NSHDSACASA-N 1 2 232.291 0.907 20 0 BCADLO CC(C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623338406 356732097 /nfs/dbraw/zinc/73/20/97/356732097.db2.gz ZARUUHIUUQNMFN-SNVBAGLBSA-N 1 2 229.324 0.272 20 0 BCADLO CC(C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623338406 356732098 /nfs/dbraw/zinc/73/20/98/356732098.db2.gz ZARUUHIUUQNMFN-SNVBAGLBSA-N 1 2 229.324 0.272 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccns1 ZINC000639807607 356777044 /nfs/dbraw/zinc/77/70/44/356777044.db2.gz JMNBNJHDZORTGI-JTQLQIEISA-N 1 2 228.317 0.915 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccns1 ZINC000639807607 356777045 /nfs/dbraw/zinc/77/70/45/356777045.db2.gz JMNBNJHDZORTGI-JTQLQIEISA-N 1 2 228.317 0.915 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354983267 356747104 /nfs/dbraw/zinc/74/71/04/356747104.db2.gz XADKKZUZJSHDGI-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO CCn1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000623344682 356747943 /nfs/dbraw/zinc/74/79/43/356747943.db2.gz ZBMOXUORYINXKF-UHFFFAOYSA-N 1 2 236.319 0.599 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639793894 356747964 /nfs/dbraw/zinc/74/79/64/356747964.db2.gz OHYNYJVJYLXTPI-UHFFFAOYSA-N 1 2 248.330 0.645 20 0 BCADLO CCNC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639793894 356747967 /nfs/dbraw/zinc/74/79/67/356747967.db2.gz OHYNYJVJYLXTPI-UHFFFAOYSA-N 1 2 248.330 0.645 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000355089659 356750113 /nfs/dbraw/zinc/75/01/13/356750113.db2.gz RNJIUJUHBNWNBM-SFYZADRCSA-N 1 2 210.281 0.180 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000355089659 356750115 /nfs/dbraw/zinc/75/01/15/356750115.db2.gz RNJIUJUHBNWNBM-SFYZADRCSA-N 1 2 210.281 0.180 20 0 BCADLO CCN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152081838 356755350 /nfs/dbraw/zinc/75/53/50/356755350.db2.gz FCONJJDONMKFPC-CYBMUJFWSA-N 1 2 242.363 0.820 20 0 BCADLO CCN(C#N)CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000639802226 356766163 /nfs/dbraw/zinc/76/61/63/356766163.db2.gz VHFBYYNPWALANX-GHMZBOCLSA-N 1 2 223.320 0.946 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(-c2ccncn2)no1 ZINC000350431021 538652056 /nfs/dbraw/zinc/65/20/56/538652056.db2.gz DDKGFJOAODHAPS-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO CCC[C@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000450475884 202178536 /nfs/dbraw/zinc/17/85/36/202178536.db2.gz LGBDXXISMHNSMX-JTQLQIEISA-N 1 2 215.293 0.785 20 0 BCADLO CCC[C@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000450475884 202178539 /nfs/dbraw/zinc/17/85/39/202178539.db2.gz LGBDXXISMHNSMX-JTQLQIEISA-N 1 2 215.293 0.785 20 0 BCADLO CCCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623362590 356810495 /nfs/dbraw/zinc/81/04/95/356810495.db2.gz ZYAFYCVYFZHOHZ-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CCCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623362590 356810499 /nfs/dbraw/zinc/81/04/99/356810499.db2.gz ZYAFYCVYFZHOHZ-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000639830912 356813237 /nfs/dbraw/zinc/81/32/37/356813237.db2.gz PORCZMRDHGNZQG-QWRGUYRKSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000639830912 356813240 /nfs/dbraw/zinc/81/32/40/356813240.db2.gz PORCZMRDHGNZQG-QWRGUYRKSA-N 1 2 215.293 0.860 20 0 BCADLO Cn1cncc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000350874946 538690807 /nfs/dbraw/zinc/69/08/07/538690807.db2.gz BCFIGTMRBLJKBX-UHFFFAOYSA-N 1 2 244.258 0.909 20 0 BCADLO CO[C@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000639834241 356818071 /nfs/dbraw/zinc/81/80/71/356818071.db2.gz MDTFFYWYTXIUNR-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000639834241 356818074 /nfs/dbraw/zinc/81/80/74/356818074.db2.gz MDTFFYWYTXIUNR-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281793364 538692184 /nfs/dbraw/zinc/69/21/84/538692184.db2.gz JJDIDTAJTCJDLL-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281793364 538692190 /nfs/dbraw/zinc/69/21/90/538692190.db2.gz JJDIDTAJTCJDLL-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000639836806 356823119 /nfs/dbraw/zinc/82/31/19/356823119.db2.gz JNQUKHPMIDFXSZ-MXWKQRLJSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000639836806 356823122 /nfs/dbraw/zinc/82/31/22/356823122.db2.gz JNQUKHPMIDFXSZ-MXWKQRLJSA-N 1 2 215.293 0.859 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@@H](C(=O)OC)C1CC1 ZINC000088796028 356824755 /nfs/dbraw/zinc/82/47/55/356824755.db2.gz OTNBEJHEKFNBIK-LLVKDONJSA-N 1 2 242.319 0.348 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C(=O)OC)C1CC1 ZINC000088796028 356824757 /nfs/dbraw/zinc/82/47/57/356824757.db2.gz OTNBEJHEKFNBIK-LLVKDONJSA-N 1 2 242.319 0.348 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000639835523 356825371 /nfs/dbraw/zinc/82/53/71/356825371.db2.gz CGELGVPDYAXWPP-GHMZBOCLSA-N 1 2 233.308 0.079 20 0 BCADLO CCOCC[C@@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000639835523 356825373 /nfs/dbraw/zinc/82/53/73/356825373.db2.gz CGELGVPDYAXWPP-GHMZBOCLSA-N 1 2 233.308 0.079 20 0 BCADLO CO[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000639835203 356825492 /nfs/dbraw/zinc/82/54/92/356825492.db2.gz DORZFJYEMUYTCC-LLVKDONJSA-N 1 2 225.292 0.831 20 0 BCADLO CO[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000639835148 356825603 /nfs/dbraw/zinc/82/56/03/356825603.db2.gz BHEYWVNMHJQMMX-SECBINFHSA-N 1 2 225.235 0.573 20 0 BCADLO CO[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000639835148 356825606 /nfs/dbraw/zinc/82/56/06/356825606.db2.gz BHEYWVNMHJQMMX-SECBINFHSA-N 1 2 225.235 0.573 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000639837896 356827285 /nfs/dbraw/zinc/82/72/85/356827285.db2.gz ZZPKSTKMZPHYQG-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000639837896 356827288 /nfs/dbraw/zinc/82/72/88/356827288.db2.gz ZZPKSTKMZPHYQG-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000639838457 356829352 /nfs/dbraw/zinc/82/93/52/356829352.db2.gz QBBDRINXFKFKDH-VXGBXAGGSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000639838457 356829354 /nfs/dbraw/zinc/82/93/54/356829354.db2.gz QBBDRINXFKFKDH-VXGBXAGGSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000639838978 356832817 /nfs/dbraw/zinc/83/28/17/356832817.db2.gz XKCFKRNBHVOERB-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000639838978 356832819 /nfs/dbraw/zinc/83/28/19/356832819.db2.gz XKCFKRNBHVOERB-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO COCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352886961 538729315 /nfs/dbraw/zinc/72/93/15/538729315.db2.gz XWHOGPMGALXLTJ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO COCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352886961 538729323 /nfs/dbraw/zinc/72/93/23/538729323.db2.gz XWHOGPMGALXLTJ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO c1cn2c(n1)C[N@H+](Cc1cncnc1)CC2 ZINC000353000804 538732234 /nfs/dbraw/zinc/73/22/34/538732234.db2.gz DMPPNCDCOKPXSJ-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1cn2c(n1)C[N@@H+](Cc1cncnc1)CC2 ZINC000353000804 538732237 /nfs/dbraw/zinc/73/22/37/538732237.db2.gz DMPPNCDCOKPXSJ-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cnn[nH]2)CC[C@@H]1C ZINC000660376445 538707712 /nfs/dbraw/zinc/70/77/12/538707712.db2.gz OOMQRFRIGRHGHK-GXSJLCMTSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@@H]1C ZINC000660376445 538707722 /nfs/dbraw/zinc/70/77/22/538707722.db2.gz OOMQRFRIGRHGHK-GXSJLCMTSA-N 1 2 224.308 0.704 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345860 363569417 /nfs/dbraw/zinc/56/94/17/363569417.db2.gz FNCPKPXQFYUAGO-QWRGUYRKSA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345860 363569420 /nfs/dbraw/zinc/56/94/20/363569420.db2.gz FNCPKPXQFYUAGO-QWRGUYRKSA-N 1 2 226.320 0.766 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1[nH+]ccn1C ZINC000359299286 356887590 /nfs/dbraw/zinc/88/75/90/356887590.db2.gz KZISBYKWUABVED-UHFFFAOYSA-N 1 2 234.307 0.571 20 0 BCADLO CNc1nc(NCCF)[nH+]c2ccccc21 ZINC000450501502 202186822 /nfs/dbraw/zinc/18/68/22/202186822.db2.gz QAJAKNMMWNAOTC-UHFFFAOYSA-N 1 2 220.251 0.897 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)nc1 ZINC000639850425 356853165 /nfs/dbraw/zinc/85/31/65/356853165.db2.gz VMPPGVANYIABLL-JQWIXIFHSA-N 1 2 237.303 0.103 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)nc1 ZINC000639850425 356853167 /nfs/dbraw/zinc/85/31/67/356853167.db2.gz VMPPGVANYIABLL-JQWIXIFHSA-N 1 2 237.303 0.103 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)C[C@@H]1COCCO1 ZINC000450554403 202196771 /nfs/dbraw/zinc/19/67/71/202196771.db2.gz KTTLPYHEXOUQJW-SECBINFHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000450554403 202196774 /nfs/dbraw/zinc/19/67/74/202196774.db2.gz KTTLPYHEXOUQJW-SECBINFHSA-N 1 2 231.292 0.285 20 0 BCADLO CC(=O)[C@](C)(O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000450557560 202196811 /nfs/dbraw/zinc/19/68/11/202196811.db2.gz BNUQZPZYZUDECR-CHWSQXEVSA-N 1 2 240.347 0.497 20 0 BCADLO CC(=O)[C@](C)(O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000450557560 202196815 /nfs/dbraw/zinc/19/68/15/202196815.db2.gz BNUQZPZYZUDECR-CHWSQXEVSA-N 1 2 240.347 0.497 20 0 BCADLO CCN1CC[N@H+](C[C@@H](O)CCC(C)C)CC1=O ZINC000361324060 356927675 /nfs/dbraw/zinc/92/76/75/356927675.db2.gz FUCBWORVPYCSQV-LBPRGKRZSA-N 1 2 242.363 0.948 20 0 BCADLO CCN1CC[N@@H+](C[C@@H](O)CCC(C)C)CC1=O ZINC000361324060 356927677 /nfs/dbraw/zinc/92/76/77/356927677.db2.gz FUCBWORVPYCSQV-LBPRGKRZSA-N 1 2 242.363 0.948 20 0 BCADLO CCc1nnc(C[N@@H+](CC)[C@H]2CCOC2)[nH]1 ZINC000361588338 356934861 /nfs/dbraw/zinc/93/48/61/356934861.db2.gz MOBVSHVOCLQFIR-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+](CC)[C@H]2CCOC2)[nH]1 ZINC000361588338 356934864 /nfs/dbraw/zinc/93/48/64/356934864.db2.gz MOBVSHVOCLQFIR-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368333695 356970393 /nfs/dbraw/zinc/97/03/93/356970393.db2.gz UQVPPOOMYUANCR-UTUOFQBUSA-N 1 2 229.320 0.637 20 0 BCADLO CCCCOC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368333695 356970395 /nfs/dbraw/zinc/97/03/95/356970395.db2.gz UQVPPOOMYUANCR-UTUOFQBUSA-N 1 2 229.320 0.637 20 0 BCADLO Cc1cc(NC2COCCOC2)c(C#N)c[nH+]1 ZINC000399544513 356975241 /nfs/dbraw/zinc/97/52/41/356975241.db2.gz APTTUEYQHSLZHV-UHFFFAOYSA-N 1 2 233.271 0.511 20 0 BCADLO Cc1cc(NCCCn2cncn2)c(C#N)c[nH+]1 ZINC000399481886 356955502 /nfs/dbraw/zinc/95/55/02/356955502.db2.gz XVUNVORASXRBHU-UHFFFAOYSA-N 1 2 242.286 0.777 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399507793 356960613 /nfs/dbraw/zinc/96/06/13/356960613.db2.gz MLXPTOSSZJBCJI-SNVBAGLBSA-N 1 2 244.298 0.834 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000354378759 538776551 /nfs/dbraw/zinc/77/65/51/538776551.db2.gz ATMNGVAREZXGCP-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000354378759 538776553 /nfs/dbraw/zinc/77/65/53/538776553.db2.gz ATMNGVAREZXGCP-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CCC2CC2)CC1 ZINC000120301139 357045592 /nfs/dbraw/zinc/04/55/92/357045592.db2.gz MAWMBKHDPQUPEH-UHFFFAOYSA-N 1 2 246.376 0.754 20 0 BCADLO CNC(=O)CC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000390586091 357102779 /nfs/dbraw/zinc/10/27/79/357102779.db2.gz YEZRTIBAIDFBOJ-NSHDSACASA-N 1 2 228.292 0.054 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000355249040 538792328 /nfs/dbraw/zinc/79/23/28/538792328.db2.gz BCGFWRWZPVTPIE-JTQLQIEISA-N 1 2 223.276 0.461 20 0 BCADLO CCc1nn(C)cc1C(=O)NCc1c[nH+]cn1C ZINC000355257920 538792391 /nfs/dbraw/zinc/79/23/91/538792391.db2.gz RPHVEHBAIWWIRF-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO NC(=O)CC[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000582415939 357140723 /nfs/dbraw/zinc/14/07/23/357140723.db2.gz OJDZWNJQPYAEBH-UHFFFAOYSA-N 1 2 245.286 0.232 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@H]2CCO)no1 ZINC000303742062 357144945 /nfs/dbraw/zinc/14/49/45/357144945.db2.gz MQVGEHBOBKYHDM-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@H]2CCO)no1 ZINC000303742062 357144948 /nfs/dbraw/zinc/14/49/48/357144948.db2.gz MQVGEHBOBKYHDM-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOCC1CC1 ZINC000121791576 357150987 /nfs/dbraw/zinc/15/09/87/357150987.db2.gz IABTXKQINZQGEH-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1CC1 ZINC000121791576 357150990 /nfs/dbraw/zinc/15/09/90/357150990.db2.gz IABTXKQINZQGEH-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000583689585 357121142 /nfs/dbraw/zinc/12/11/42/357121142.db2.gz AKJWKUKFJWNXKT-IUCAKERBSA-N 1 2 211.265 0.977 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000583689585 357121145 /nfs/dbraw/zinc/12/11/45/357121145.db2.gz AKJWKUKFJWNXKT-IUCAKERBSA-N 1 2 211.265 0.977 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000626521859 357171974 /nfs/dbraw/zinc/17/19/74/357171974.db2.gz NVYKUFBQBJDKRJ-HSOILSAZSA-N 1 2 249.314 0.739 20 0 BCADLO COCC[NH+]1CCN(CC[C@@H]2CCCO2)CC1 ZINC000188709065 357193738 /nfs/dbraw/zinc/19/37/38/357193738.db2.gz OSBZEESGQDTIMG-ZDUSSCGKSA-N 1 2 242.363 0.820 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000639892083 357219120 /nfs/dbraw/zinc/21/91/20/357219120.db2.gz GAFNZSDCMZTPOR-QMMMGPOBSA-N 1 2 211.290 0.593 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000639892083 357219125 /nfs/dbraw/zinc/21/91/25/357219125.db2.gz GAFNZSDCMZTPOR-QMMMGPOBSA-N 1 2 211.290 0.593 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC([C@H](C)O)C1 ZINC000639900496 357285477 /nfs/dbraw/zinc/28/54/77/357285477.db2.gz ULZDAWNWYXRTEE-VIFPVBQESA-N 1 2 235.287 0.656 20 0 BCADLO O=[S@@]1CC[C@@H](Nc2nc[nH+]c3c2CCC3)C1 ZINC000393740321 357295228 /nfs/dbraw/zinc/29/52/28/357295228.db2.gz AYWFWTJCKGLQCY-VPTHRUTESA-N 1 2 237.328 0.898 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000393749867 357295281 /nfs/dbraw/zinc/29/52/81/357295281.db2.gz UJOIBWOQGJLTGU-DTWKUNHWSA-N 1 2 211.265 0.159 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncccn1 ZINC000193600567 357261131 /nfs/dbraw/zinc/26/11/31/357261131.db2.gz FOZKSXXWHLIXNV-SCZZXKLOSA-N 1 2 220.276 0.091 20 0 BCADLO Cc1cc(NC(=O)N2CCOCCN2)cc[nH+]1 ZINC000639899814 357278611 /nfs/dbraw/zinc/27/86/11/357278611.db2.gz DUXOWZINHPUKAB-UHFFFAOYSA-N 1 2 236.275 0.181 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)c[nH+]1 ZINC000639903115 357323974 /nfs/dbraw/zinc/32/39/74/357323974.db2.gz VSOHLWHAJKDUNR-GWCFXTLKSA-N 1 2 247.298 0.719 20 0 BCADLO C[C@H]1CSCCN1C(=O)Cn1cc[nH+]c1 ZINC000582520390 357324828 /nfs/dbraw/zinc/32/48/28/357324828.db2.gz FNNSPKUWCMUDGE-VIFPVBQESA-N 1 2 225.317 0.847 20 0 BCADLO CO[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000582706850 357375287 /nfs/dbraw/zinc/37/52/87/357375287.db2.gz BPZWDOUREQCNKK-GHMZBOCLSA-N 1 2 249.314 0.858 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCc1ncccc1O ZINC000357472554 538829129 /nfs/dbraw/zinc/82/91/29/538829129.db2.gz RMZKINMWWUIBLP-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCc1ncccc1O ZINC000357472554 538829134 /nfs/dbraw/zinc/82/91/34/538829134.db2.gz RMZKINMWWUIBLP-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CC1(C[N@@H+]2CCn3nnc(CO)c3C2)CCC1 ZINC000582670434 357359666 /nfs/dbraw/zinc/35/96/66/357359666.db2.gz YJQMTWMRNDSSNY-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO CC1(C[N@H+]2CCn3nnc(CO)c3C2)CCC1 ZINC000582670434 357359668 /nfs/dbraw/zinc/35/96/68/357359668.db2.gz YJQMTWMRNDSSNY-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO COCC(COC)Nc1cc[nH+]c(C)n1 ZINC000388409589 357421498 /nfs/dbraw/zinc/42/14/98/357421498.db2.gz WPRZWMSZMWNCOL-UHFFFAOYSA-N 1 2 211.265 0.858 20 0 BCADLO COc1nccc(C[NH2+]Cc2ccno2)n1 ZINC000395231923 357428955 /nfs/dbraw/zinc/42/89/55/357428955.db2.gz QAANCFOJEUDANC-UHFFFAOYSA-N 1 2 220.232 0.763 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc[nH]c(=O)c1 ZINC000395424359 357433055 /nfs/dbraw/zinc/43/30/55/357433055.db2.gz DFRKMGGCUKFANM-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO C[C@@H](NC(=O)c1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000158075289 538848431 /nfs/dbraw/zinc/84/84/31/538848431.db2.gz LBUDDJSTMZAASM-KOLCDFICSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](NC(=O)c1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158075289 538848441 /nfs/dbraw/zinc/84/84/41/538848441.db2.gz LBUDDJSTMZAASM-KOLCDFICSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](NC(=O)C(=O)c1cccn1C)c1[nH]cc[nH+]1 ZINC000582976424 357450681 /nfs/dbraw/zinc/45/06/81/357450681.db2.gz WPEQVXSYMBPKDN-MRVPVSSYSA-N 1 2 246.270 0.808 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000072861821 325178783 /nfs/dbraw/zinc/17/87/83/325178783.db2.gz UJWIQYYUKNAGLF-JTQLQIEISA-N 1 2 213.325 0.149 20 0 BCADLO CC1(C[NH+]2CC(NS(C)(=O)=O)C2)CC1 ZINC000628428965 357489128 /nfs/dbraw/zinc/48/91/28/357489128.db2.gz MBKVTXXJQZANFA-UHFFFAOYSA-N 1 2 218.322 0.020 20 0 BCADLO CCc1cc(N(C)[C@@H]2CCNC2=O)nc(C)[nH+]1 ZINC000359735712 538858131 /nfs/dbraw/zinc/85/81/31/538858131.db2.gz PNDNOZXFNUFZLI-SNVBAGLBSA-N 1 2 234.303 0.672 20 0 BCADLO CCc1cc(N2CC(=O)N(C)C2)nc(C)[nH+]1 ZINC000359733503 538857182 /nfs/dbraw/zinc/85/71/82/538857182.db2.gz UUNVQOAUKBMALI-UHFFFAOYSA-N 1 2 220.276 0.583 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C)O2)CCO1 ZINC000188528068 357558323 /nfs/dbraw/zinc/55/83/23/357558323.db2.gz IKSMXNAKSVCEIZ-DCAQKATOSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)CCO1 ZINC000188528068 357558325 /nfs/dbraw/zinc/55/83/25/357558325.db2.gz IKSMXNAKSVCEIZ-DCAQKATOSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2nccc21 ZINC000583214834 357564754 /nfs/dbraw/zinc/56/47/54/357564754.db2.gz YUAVAYDFRADAPK-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2nccc21 ZINC000583214834 357564757 /nfs/dbraw/zinc/56/47/57/357564757.db2.gz YUAVAYDFRADAPK-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO COCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000188905150 357589466 /nfs/dbraw/zinc/58/94/66/357589466.db2.gz FSVSDGMTDGQNHR-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO COCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000188905150 357589468 /nfs/dbraw/zinc/58/94/68/357589468.db2.gz FSVSDGMTDGQNHR-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO Cc1cc(N2CC[NH+](Cc3cc[nH]n3)CC2)n[nH]1 ZINC000189017608 357601142 /nfs/dbraw/zinc/60/11/42/357601142.db2.gz NZWZVVXUSVVHFW-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000189539421 357643228 /nfs/dbraw/zinc/64/32/28/357643228.db2.gz NDDZQVFCYJSNHZ-AXFHLTTASA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H]1CCCO1 ZINC000189539421 357643232 /nfs/dbraw/zinc/64/32/32/357643232.db2.gz NDDZQVFCYJSNHZ-AXFHLTTASA-N 1 2 243.303 0.164 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000189650210 357656158 /nfs/dbraw/zinc/65/61/58/357656158.db2.gz FVFRNGLAEFHHEZ-RYUDHWBXSA-N 1 2 239.363 0.539 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000189480902 357637133 /nfs/dbraw/zinc/63/71/33/357637133.db2.gz KIIPBBDJQBSFCY-WDEREUQCSA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000189480902 357637139 /nfs/dbraw/zinc/63/71/39/357637139.db2.gz KIIPBBDJQBSFCY-WDEREUQCSA-N 1 2 244.335 0.247 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1(C(=O)OC)CC1)C1CC1 ZINC000362721998 134213902 /nfs/dbraw/zinc/21/39/02/134213902.db2.gz DNRZZEIJBUPDAI-SECBINFHSA-N 1 2 241.287 0.481 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000190268241 357697909 /nfs/dbraw/zinc/69/79/09/357697909.db2.gz ZLWMJNCZCUDHGT-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000190268241 357697914 /nfs/dbraw/zinc/69/79/14/357697914.db2.gz ZLWMJNCZCUDHGT-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000190268266 357698084 /nfs/dbraw/zinc/69/80/84/357698084.db2.gz ZLWMJNCZCUDHGT-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000190268266 357698088 /nfs/dbraw/zinc/69/80/88/357698088.db2.gz ZLWMJNCZCUDHGT-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO COC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000583268419 357764414 /nfs/dbraw/zinc/76/44/14/357764414.db2.gz PXBVYASSKXNDAU-UHFFFAOYSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CCOC(C)(C)C1 ZINC000191383144 357767137 /nfs/dbraw/zinc/76/71/37/357767137.db2.gz LSXUCMPVZZDQQA-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CCOC(C)(C)C1 ZINC000191383144 357767140 /nfs/dbraw/zinc/76/71/40/357767140.db2.gz LSXUCMPVZZDQQA-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)[C@@H](C)CO1 ZINC000191400125 357768164 /nfs/dbraw/zinc/76/81/64/357768164.db2.gz CHFMMCUOTACPQX-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)[C@@H](C)CO1 ZINC000191400125 357768166 /nfs/dbraw/zinc/76/81/66/357768166.db2.gz CHFMMCUOTACPQX-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOCC(C)C)CCO1 ZINC000234540268 357811957 /nfs/dbraw/zinc/81/19/57/357811957.db2.gz HPXQSYZAJLLQKC-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOCC(C)C)CCO1 ZINC000234540268 357811961 /nfs/dbraw/zinc/81/19/61/357811961.db2.gz HPXQSYZAJLLQKC-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO c1cnc(CN2CC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000192043124 357814790 /nfs/dbraw/zinc/81/47/90/357814790.db2.gz YXXACOMHRJQFBF-GFCCVEGCSA-N 1 2 248.330 0.383 20 0 BCADLO c1cnc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)nc1 ZINC000192043124 357814793 /nfs/dbraw/zinc/81/47/93/357814793.db2.gz YXXACOMHRJQFBF-GFCCVEGCSA-N 1 2 248.330 0.383 20 0 BCADLO c1cnc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)nc1 ZINC000192043124 357814795 /nfs/dbraw/zinc/81/47/95/357814795.db2.gz YXXACOMHRJQFBF-GFCCVEGCSA-N 1 2 248.330 0.383 20 0 BCADLO COC(=O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000234508148 357819910 /nfs/dbraw/zinc/81/99/10/357819910.db2.gz KUJWKORCPWMEIA-SECBINFHSA-N 1 2 215.249 0.091 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)CCCO1 ZINC000192708573 357848628 /nfs/dbraw/zinc/84/86/28/357848628.db2.gz LZCIYAKMHBIEHD-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)CCCO1 ZINC000192708573 357848630 /nfs/dbraw/zinc/84/86/30/357848630.db2.gz LZCIYAKMHBIEHD-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](C)S(N)(=O)=O ZINC000398272678 357882184 /nfs/dbraw/zinc/88/21/84/357882184.db2.gz QXKZUYWSMZRDFT-SSDOTTSWSA-N 1 2 245.304 0.179 20 0 BCADLO CC(C)OCCC[N@@H+]1CCN(C)C(=O)C1 ZINC000133083719 325266566 /nfs/dbraw/zinc/26/65/66/325266566.db2.gz IXDCEVAKEOUAMU-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CC(C)OCCC[N@H+]1CCN(C)C(=O)C1 ZINC000133083719 325266569 /nfs/dbraw/zinc/26/65/69/325266569.db2.gz IXDCEVAKEOUAMU-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO COc1ccc[nH+]c1NC[C@H]1CNC(=O)C1 ZINC000398345547 357884737 /nfs/dbraw/zinc/88/47/37/357884737.db2.gz PGUPVOVHJCTUIF-MRVPVSSYSA-N 1 2 221.260 0.638 20 0 BCADLO O=C([O-])c1c[nH+]ccc1N1CCn2c[nH+]cc2C1 ZINC000583324715 357905590 /nfs/dbraw/zinc/90/55/90/357905590.db2.gz IBQYJRREBXZNDN-UHFFFAOYSA-N 1 2 244.254 0.997 20 0 BCADLO Cc1noc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000639932365 357923677 /nfs/dbraw/zinc/92/36/77/357923677.db2.gz WQCALMATHLJWSN-UHFFFAOYSA-N 1 2 236.235 0.187 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CC(=O)NC2=O)s1 ZINC000583820229 357961139 /nfs/dbraw/zinc/96/11/39/357961139.db2.gz REMYFWGSQKGUTP-MRVPVSSYSA-N 1 2 239.300 0.298 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CC(=O)NC2=O)s1 ZINC000583820229 357961142 /nfs/dbraw/zinc/96/11/42/357961142.db2.gz REMYFWGSQKGUTP-MRVPVSSYSA-N 1 2 239.300 0.298 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1csnn1 ZINC000639938748 357944566 /nfs/dbraw/zinc/94/45/66/357944566.db2.gz KPIJBIGBWVWLIZ-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1csnn1 ZINC000639938748 357944569 /nfs/dbraw/zinc/94/45/69/357944569.db2.gz KPIJBIGBWVWLIZ-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCO)CCO1 ZINC000610504605 357958209 /nfs/dbraw/zinc/95/82/09/357958209.db2.gz QZCXKOQSZNSHOI-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCO)CCO1 ZINC000610504605 357958212 /nfs/dbraw/zinc/95/82/12/357958212.db2.gz QZCXKOQSZNSHOI-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H](NC(=O)CCc1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000583822663 357958236 /nfs/dbraw/zinc/95/82/36/357958236.db2.gz SQFVBKMVZUUIJW-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1ncc(C)cn1 ZINC000639956325 357978766 /nfs/dbraw/zinc/97/87/66/357978766.db2.gz CLURVQBUEJUJKH-LLVKDONJSA-N 1 2 225.292 0.272 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000639958819 357983530 /nfs/dbraw/zinc/98/35/30/357983530.db2.gz WEXPXIIJZCREOZ-LLVKDONJSA-N 1 2 242.323 0.415 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000584478386 357996255 /nfs/dbraw/zinc/99/62/55/357996255.db2.gz QWNRNWSYHPPGKZ-VHSXEESVSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000584478386 357996258 /nfs/dbraw/zinc/99/62/58/357996258.db2.gz QWNRNWSYHPPGKZ-VHSXEESVSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000075624287 325303777 /nfs/dbraw/zinc/30/37/77/325303777.db2.gz WFLNVNMYIOATIU-ZDUSSCGKSA-N 1 2 242.363 0.820 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](O)C1 ZINC000035611908 358006486 /nfs/dbraw/zinc/00/64/86/358006486.db2.gz AXIBCLXFARPDQH-SNVBAGLBSA-N 1 2 223.276 0.257 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](O)C1 ZINC000035611907 358006756 /nfs/dbraw/zinc/00/67/56/358006756.db2.gz AXIBCLXFARPDQH-JTQLQIEISA-N 1 2 223.276 0.257 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnnn1C ZINC000639971218 358021117 /nfs/dbraw/zinc/02/11/17/358021117.db2.gz OPPRAQGWWGAZGX-UHFFFAOYSA-N 1 2 220.280 0.479 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnnn1C ZINC000639971218 358021118 /nfs/dbraw/zinc/02/11/18/358021118.db2.gz OPPRAQGWWGAZGX-UHFFFAOYSA-N 1 2 220.280 0.479 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000639968891 358021997 /nfs/dbraw/zinc/02/19/97/358021997.db2.gz VZGSXAXPMGYZIX-LBPRGKRZSA-N 1 2 249.318 0.408 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000639968891 358021999 /nfs/dbraw/zinc/02/19/99/358021999.db2.gz VZGSXAXPMGYZIX-LBPRGKRZSA-N 1 2 249.318 0.408 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000584538080 358048592 /nfs/dbraw/zinc/04/85/92/358048592.db2.gz FTAVZUZHWQGMRD-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nccn1CC ZINC000051921516 358101265 /nfs/dbraw/zinc/10/12/65/358101265.db2.gz RZWKBHMGRHFGQO-UHFFFAOYSA-N 1 2 210.281 0.129 20 0 BCADLO Cc1noc(C[NH2+]C[C@@H](O)COCC(C)C)n1 ZINC000038034859 358103252 /nfs/dbraw/zinc/10/32/52/358103252.db2.gz IFVFTNCQDUCFOF-SNVBAGLBSA-N 1 2 243.307 0.501 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000170764416 134253332 /nfs/dbraw/zinc/25/33/32/134253332.db2.gz MWEMCBRVTMRFNO-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000170764416 134253333 /nfs/dbraw/zinc/25/33/33/134253333.db2.gz MWEMCBRVTMRFNO-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)[nH]n1 ZINC000335757044 491122945 /nfs/dbraw/zinc/12/29/45/491122945.db2.gz PZDHZVKOBUVDGY-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)[nH]n1 ZINC000335757044 491122946 /nfs/dbraw/zinc/12/29/46/491122946.db2.gz PZDHZVKOBUVDGY-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO COC(C)(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171592202 134259298 /nfs/dbraw/zinc/25/92/98/134259298.db2.gz MCFCRIXZLANVBK-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171593901 134259321 /nfs/dbraw/zinc/25/93/21/134259321.db2.gz OZZSWVZYAKWXNG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450625648 202215071 /nfs/dbraw/zinc/21/50/71/202215071.db2.gz SLIWUSRHHAMYOU-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450625648 202215073 /nfs/dbraw/zinc/21/50/73/202215073.db2.gz SLIWUSRHHAMYOU-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000171883995 134259571 /nfs/dbraw/zinc/25/95/71/134259571.db2.gz DTSJUWRXYKPRNW-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(N)=O)CC1 ZINC000171883995 134259572 /nfs/dbraw/zinc/25/95/72/134259572.db2.gz DTSJUWRXYKPRNW-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000172190430 134262414 /nfs/dbraw/zinc/26/24/14/134262414.db2.gz IVHQJUONSYHRHU-LBPRGKRZSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000172190430 134262415 /nfs/dbraw/zinc/26/24/15/134262415.db2.gz IVHQJUONSYHRHU-LBPRGKRZSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000584847696 358201324 /nfs/dbraw/zinc/20/13/24/358201324.db2.gz VPBDDQFFDYYGCZ-VIFPVBQESA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000584847696 358201327 /nfs/dbraw/zinc/20/13/27/358201327.db2.gz VPBDDQFFDYYGCZ-VIFPVBQESA-N 1 2 224.260 0.834 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450656550 202229003 /nfs/dbraw/zinc/22/90/03/202229003.db2.gz KBEWUFBNJRNXQT-KOLCDFICSA-N 1 2 231.292 0.333 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCCO ZINC000610826386 358206702 /nfs/dbraw/zinc/20/67/02/358206702.db2.gz ATVHRKRGRWPDDC-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCCO ZINC000610826386 358206703 /nfs/dbraw/zinc/20/67/03/358206703.db2.gz ATVHRKRGRWPDDC-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc[nH]n1 ZINC000584851821 358209358 /nfs/dbraw/zinc/20/93/58/358209358.db2.gz ZKUXFERKSBUOTE-QMMMGPOBSA-N 1 2 233.275 0.628 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc[nH]n1 ZINC000584851821 358209362 /nfs/dbraw/zinc/20/93/62/358209362.db2.gz ZKUXFERKSBUOTE-QMMMGPOBSA-N 1 2 233.275 0.628 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100569 134261899 /nfs/dbraw/zinc/26/18/99/134261899.db2.gz JDKQSEYBARSJCS-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172100569 134261900 /nfs/dbraw/zinc/26/19/00/134261900.db2.gz JDKQSEYBARSJCS-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000171956438 134263330 /nfs/dbraw/zinc/26/33/30/134263330.db2.gz RTHYOHCBXXVUQX-LLVKDONJSA-N 1 2 228.336 0.727 20 0 BCADLO C/C=C/CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000623425025 358221447 /nfs/dbraw/zinc/22/14/47/358221447.db2.gz NZSDJZHEEVMFNR-UFFNRZRYSA-N 1 2 241.335 0.582 20 0 BCADLO Cc1nc(N2C[C@@H](F)[C@@H](F)C2)nc(N(C)C)[nH+]1 ZINC000450704078 202240476 /nfs/dbraw/zinc/24/04/76/202240476.db2.gz FPDYERFBIBLOIX-OCAPTIKFSA-N 1 2 243.261 0.742 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000450704078 202240478 /nfs/dbraw/zinc/24/04/78/202240478.db2.gz FPDYERFBIBLOIX-OCAPTIKFSA-N 1 2 243.261 0.742 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450725215 202247561 /nfs/dbraw/zinc/24/75/61/202247561.db2.gz PRQPLMFNVMHFNP-HBNTYKKESA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cccn2cc(CC(=O)NC[C@H](C)O)[nH+]c12 ZINC000041287557 358282158 /nfs/dbraw/zinc/28/21/58/358282158.db2.gz LEURVWQNEMUSHB-JTQLQIEISA-N 1 2 247.298 0.682 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)[C@@H](C)CO ZINC000228680644 358383477 /nfs/dbraw/zinc/38/34/77/358383477.db2.gz MMOLOIWJLAFABY-NKWVEPMBSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)[C@@H](C)CO ZINC000228680644 358383481 /nfs/dbraw/zinc/38/34/81/358383481.db2.gz MMOLOIWJLAFABY-NKWVEPMBSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)[C@H](C)CO ZINC000228680663 358383679 /nfs/dbraw/zinc/38/36/79/358383679.db2.gz MMOLOIWJLAFABY-RNFRBKRXSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)[C@H](C)CO ZINC000228680663 358383684 /nfs/dbraw/zinc/38/36/84/358383684.db2.gz MMOLOIWJLAFABY-RNFRBKRXSA-N 1 2 226.280 0.496 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000228852877 358386211 /nfs/dbraw/zinc/38/62/11/358386211.db2.gz WGJWHEYRLXYVTR-DJLDLDEBSA-N 1 2 215.293 0.687 20 0 BCADLO CCn1cnnc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000230754210 358411043 /nfs/dbraw/zinc/41/10/43/358411043.db2.gz JLPZOYNLOFVXLZ-ZCFIWIBFSA-N 1 2 238.213 0.311 20 0 BCADLO CC(C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173835380 134278035 /nfs/dbraw/zinc/27/80/35/134278035.db2.gz CMZYOQRXTKPLTN-NEPJUHHUSA-N 1 2 240.347 0.822 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cn[nH]c1 ZINC000309416052 358450341 /nfs/dbraw/zinc/45/03/41/358450341.db2.gz WDBZXLXKJFRYKV-MRVPVSSYSA-N 1 2 219.248 0.484 20 0 BCADLO COCc1csc([C@@H]2COCC[NH2+]2)n1 ZINC000231692856 358418578 /nfs/dbraw/zinc/41/85/78/358418578.db2.gz NYEXJNFERWAAHD-QMMMGPOBSA-N 1 2 214.290 0.950 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008726 358430446 /nfs/dbraw/zinc/43/04/46/358430446.db2.gz HZRVKLBAXKYZEE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611008726 358430448 /nfs/dbraw/zinc/43/04/48/358430448.db2.gz HZRVKLBAXKYZEE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008726 358430451 /nfs/dbraw/zinc/43/04/51/358430451.db2.gz HZRVKLBAXKYZEE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008726 358430454 /nfs/dbraw/zinc/43/04/54/358430454.db2.gz HZRVKLBAXKYZEE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000047704277 358600553 /nfs/dbraw/zinc/60/05/53/358600553.db2.gz HNZMTSYIDYTQIV-UHFFFAOYSA-N 1 2 231.259 0.696 20 0 BCADLO CC(=O)Nc1cccc2c1CC[N@H+](CC(N)=O)C2 ZINC000048618991 358645338 /nfs/dbraw/zinc/64/53/38/358645338.db2.gz IVMCUMQJYKVMQW-UHFFFAOYSA-N 1 2 247.298 0.488 20 0 BCADLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(N)=O)C2 ZINC000048618991 358645340 /nfs/dbraw/zinc/64/53/40/358645340.db2.gz IVMCUMQJYKVMQW-UHFFFAOYSA-N 1 2 247.298 0.488 20 0 BCADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)on1 ZINC000048412601 358634100 /nfs/dbraw/zinc/63/41/00/358634100.db2.gz BLDMXGMONTZKLY-UHFFFAOYSA-N 1 2 206.205 0.818 20 0 BCADLO C[N@H+](CCO)CC(=O)Nc1c(F)cccc1F ZINC000049633441 358696665 /nfs/dbraw/zinc/69/66/65/358696665.db2.gz PTTGPWZTEAFHCJ-UHFFFAOYSA-N 1 2 244.241 0.827 20 0 BCADLO C[N@@H+](CCO)CC(=O)Nc1c(F)cccc1F ZINC000049633441 358696667 /nfs/dbraw/zinc/69/66/67/358696667.db2.gz PTTGPWZTEAFHCJ-UHFFFAOYSA-N 1 2 244.241 0.827 20 0 BCADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCO ZINC000131906114 358700159 /nfs/dbraw/zinc/70/01/59/358700159.db2.gz ZHGZUURIJRSTIH-GFCCVEGCSA-N 1 2 224.304 0.781 20 0 BCADLO Cn1cccc1[C@H]1COCC[N@H+]1CCCO ZINC000131906114 358700162 /nfs/dbraw/zinc/70/01/62/358700162.db2.gz ZHGZUURIJRSTIH-GFCCVEGCSA-N 1 2 224.304 0.781 20 0 BCADLO COCC[NH+](CCOC)Cc1nnc(C)n1C ZINC000051878523 358765495 /nfs/dbraw/zinc/76/54/95/358765495.db2.gz FPOFUMZDFKSOFD-UHFFFAOYSA-N 1 2 242.323 0.218 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)CC ZINC000050064944 358711872 /nfs/dbraw/zinc/71/18/72/358711872.db2.gz KGTSXUWAAVMYAO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)CC ZINC000050064944 358711874 /nfs/dbraw/zinc/71/18/74/358711874.db2.gz KGTSXUWAAVMYAO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nnc(C)n1C ZINC000050067712 358712607 /nfs/dbraw/zinc/71/26/07/358712607.db2.gz YLCKGJLOGAYCIG-UHFFFAOYSA-N 1 2 240.307 0.509 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(C)n1C ZINC000050067712 358712610 /nfs/dbraw/zinc/71/26/10/358712610.db2.gz YLCKGJLOGAYCIG-UHFFFAOYSA-N 1 2 240.307 0.509 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000050116859 358717393 /nfs/dbraw/zinc/71/73/93/358717393.db2.gz KTZJJPGQXZSUNZ-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000050116859 358717396 /nfs/dbraw/zinc/71/73/96/358717396.db2.gz KTZJJPGQXZSUNZ-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO CCOC(=O)CCCC[N@@H+]1CCNC(=O)C1 ZINC000132337983 358719066 /nfs/dbraw/zinc/71/90/66/358719066.db2.gz INZQARYTSDGOSI-UHFFFAOYSA-N 1 2 228.292 0.152 20 0 BCADLO CCOC(=O)CCCC[N@H+]1CCNC(=O)C1 ZINC000132337983 358719075 /nfs/dbraw/zinc/71/90/75/358719075.db2.gz INZQARYTSDGOSI-UHFFFAOYSA-N 1 2 228.292 0.152 20 0 BCADLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCOC ZINC000132391086 358720905 /nfs/dbraw/zinc/72/09/05/358720905.db2.gz GUURCDIUTRTVSM-UHFFFAOYSA-N 1 2 244.316 0.884 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000050419129 358730098 /nfs/dbraw/zinc/73/00/98/358730098.db2.gz WBGGYGQRHZTVDU-IUCAKERBSA-N 1 2 239.323 0.380 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000050419586 358730153 /nfs/dbraw/zinc/73/01/53/358730153.db2.gz WQWFJSDRCNZHSA-VIFPVBQESA-N 1 2 239.323 0.334 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000050419133 358730204 /nfs/dbraw/zinc/73/02/04/358730204.db2.gz WBGGYGQRHZTVDU-BDAKNGLRSA-N 1 2 239.323 0.380 20 0 BCADLO CCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000134523702 358794510 /nfs/dbraw/zinc/79/45/10/358794510.db2.gz UQKSWNPRNYUTNB-LLVKDONJSA-N 1 2 242.367 0.332 20 0 BCADLO CCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000134523702 358794512 /nfs/dbraw/zinc/79/45/12/358794512.db2.gz UQKSWNPRNYUTNB-LLVKDONJSA-N 1 2 242.367 0.332 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135994322 358858349 /nfs/dbraw/zinc/85/83/49/358858349.db2.gz TXOOTWJESOZXQW-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633207183 358872077 /nfs/dbraw/zinc/87/20/77/358872077.db2.gz GKZRCCIJCNKUCG-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135542031 358843081 /nfs/dbraw/zinc/84/30/81/358843081.db2.gz IBWQRMNONJCTLI-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135542031 358843083 /nfs/dbraw/zinc/84/30/83/358843083.db2.gz IBWQRMNONJCTLI-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CC[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1[nH]cc[nH+]1 ZINC000139745967 358913545 /nfs/dbraw/zinc/91/35/45/358913545.db2.gz XTSWULPLDTWLIY-SECBINFHSA-N 1 2 246.270 0.979 20 0 BCADLO C[C@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000137693340 358899349 /nfs/dbraw/zinc/89/93/49/358899349.db2.gz AJWOHBBRTOETHS-SNVBAGLBSA-N 1 2 245.282 0.983 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180416 358929462 /nfs/dbraw/zinc/92/94/62/358929462.db2.gz HDVZCNWCBCLHBX-LURJTMIESA-N 1 2 247.245 0.301 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070991029 359070162 /nfs/dbraw/zinc/07/01/62/359070162.db2.gz KWCHPBVYAZOOBS-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn2ccccc2n1 ZINC000070991208 359070285 /nfs/dbraw/zinc/07/02/85/359070285.db2.gz PSAXFIBNDNSVFI-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CSC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258579 325442674 /nfs/dbraw/zinc/44/26/74/325442674.db2.gz FHODTRSBFNDIOG-MRVPVSSYSA-N 1 2 227.333 0.830 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCCF ZINC000611208696 359110874 /nfs/dbraw/zinc/11/08/74/359110874.db2.gz RVQDPYOJERXQPP-SECBINFHSA-N 1 2 221.272 0.856 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCCF ZINC000611208696 359110876 /nfs/dbraw/zinc/11/08/76/359110876.db2.gz RVQDPYOJERXQPP-SECBINFHSA-N 1 2 221.272 0.856 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCCO1 ZINC000611208798 359111974 /nfs/dbraw/zinc/11/19/74/359111974.db2.gz SBTFXCJSQOQQNW-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCO1 ZINC000611208798 359111978 /nfs/dbraw/zinc/11/19/78/359111978.db2.gz SBTFXCJSQOQQNW-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)CC ZINC000611208832 359112021 /nfs/dbraw/zinc/11/20/21/359112021.db2.gz SQYCHAOLFQOLGJ-NXEZZACHSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC ZINC000611208832 359112026 /nfs/dbraw/zinc/11/20/26/359112026.db2.gz SQYCHAOLFQOLGJ-NXEZZACHSA-N 1 2 233.308 0.267 20 0 BCADLO CC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000074921346 359135483 /nfs/dbraw/zinc/13/54/83/359135483.db2.gz ZDPRHSXTCJKWLF-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO CCOCC[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000247538096 359232023 /nfs/dbraw/zinc/23/20/23/359232023.db2.gz QKWQBEQYSNZZKH-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000247538096 359232027 /nfs/dbraw/zinc/23/20/27/359232027.db2.gz QKWQBEQYSNZZKH-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000247988971 359251546 /nfs/dbraw/zinc/25/15/46/359251546.db2.gz LBJUGWINCJFCFQ-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000247988971 359251550 /nfs/dbraw/zinc/25/15/50/359251550.db2.gz LBJUGWINCJFCFQ-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000611237998 359208120 /nfs/dbraw/zinc/20/81/20/359208120.db2.gz WQXKWRHNZRYIMW-JTQLQIEISA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000611237998 359208125 /nfs/dbraw/zinc/20/81/25/359208125.db2.gz WQXKWRHNZRYIMW-JTQLQIEISA-N 1 2 242.275 0.421 20 0 BCADLO CC/C=C/CNC(=O)C1([NH+]2CCOCC2)CC1 ZINC000633287429 359292434 /nfs/dbraw/zinc/29/24/34/359292434.db2.gz LKODHUWFGHDTAW-ONEGZZNKSA-N 1 2 238.331 0.934 20 0 BCADLO CCc1nc(N2CC(C)(O)C2)cc(C)[nH+]1 ZINC000286377239 359358184 /nfs/dbraw/zinc/35/81/84/359358184.db2.gz YAJZVHFRKKCPKQ-UHFFFAOYSA-N 1 2 207.277 0.918 20 0 BCADLO CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000613815234 363648132 /nfs/dbraw/zinc/64/81/32/363648132.db2.gz UIQCLNQVZXKASF-NSHDSACASA-N 1 2 239.275 0.092 20 0 BCADLO CCn1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000567345355 359338698 /nfs/dbraw/zinc/33/86/98/359338698.db2.gz DZMWDKPOQLWHCF-MRVPVSSYSA-N 1 2 237.225 0.916 20 0 BCADLO COCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000308920001 491140285 /nfs/dbraw/zinc/14/02/85/491140285.db2.gz GUHULHJYXDZWOG-UHFFFAOYSA-N 1 2 211.269 0.304 20 0 BCADLO COCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000308920001 491140286 /nfs/dbraw/zinc/14/02/86/491140286.db2.gz GUHULHJYXDZWOG-UHFFFAOYSA-N 1 2 211.269 0.304 20 0 BCADLO CC[C@@H](C(=O)OC)N1CCn2cc(C)[nH+]c2C1 ZINC000611802050 359450500 /nfs/dbraw/zinc/45/05/00/359450500.db2.gz JGFNDISDFXLWFK-JTQLQIEISA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@@H](C)OC ZINC000611790178 359451886 /nfs/dbraw/zinc/45/18/86/359451886.db2.gz KOBBCBGAKZFHEH-GHMZBOCLSA-N 1 2 247.335 0.920 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@@H](C)OC ZINC000611790178 359451887 /nfs/dbraw/zinc/45/18/87/359451887.db2.gz KOBBCBGAKZFHEH-GHMZBOCLSA-N 1 2 247.335 0.920 20 0 BCADLO OCc1ccc(NCc2cn[nH]c2)[nH+]c1 ZINC000308950280 491140890 /nfs/dbraw/zinc/14/08/90/491140890.db2.gz UQZMRMDDMYXRLH-UHFFFAOYSA-N 1 2 204.233 0.909 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(C(C)(C)O)C1 ZINC000548719217 325475774 /nfs/dbraw/zinc/47/57/74/325475774.db2.gz PSKFXKGVNOWWBR-UHFFFAOYSA-N 1 2 237.303 0.192 20 0 BCADLO CN(CC(F)F)C(=O)[C@H]([NH3+])c1cscn1 ZINC000580421926 359536940 /nfs/dbraw/zinc/53/69/40/359536940.db2.gz JQODBGSKIJGQSV-SSDOTTSWSA-N 1 2 235.259 0.866 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612064866 359629522 /nfs/dbraw/zinc/62/95/22/359629522.db2.gz YRRHHHQZGAOSQC-GFCCVEGCSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612064866 359629527 /nfs/dbraw/zinc/62/95/27/359629527.db2.gz YRRHHHQZGAOSQC-GFCCVEGCSA-N 1 2 249.314 0.887 20 0 BCADLO Cc1nc(NC[C@H](C)S(C)(=O)=O)cc[nH+]1 ZINC000309022732 491142784 /nfs/dbraw/zinc/14/27/84/491142784.db2.gz YEWNZRFJKMYULD-ZETCQYMHSA-N 1 2 229.305 0.630 20 0 BCADLO COC[C@@]1(C)CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628497921 359704140 /nfs/dbraw/zinc/70/41/40/359704140.db2.gz AFKOWDHOZJYOAN-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO C[C@H]1C[N@H+](CCc2cscn2)C[C@H](CO)O1 ZINC000450828846 202277353 /nfs/dbraw/zinc/27/73/53/202277353.db2.gz MTOOHTXYHVUMQO-GXSJLCMTSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cscn2)C[C@H](CO)O1 ZINC000450828846 202277355 /nfs/dbraw/zinc/27/73/55/202277355.db2.gz MTOOHTXYHVUMQO-GXSJLCMTSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cscn2)C[C@H](CO)O1 ZINC000450828852 202277713 /nfs/dbraw/zinc/27/77/13/202277713.db2.gz MTOOHTXYHVUMQO-MWLCHTKSSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cscn2)C[C@H](CO)O1 ZINC000450828852 202277715 /nfs/dbraw/zinc/27/77/15/202277715.db2.gz MTOOHTXYHVUMQO-MWLCHTKSSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cnn[nH]1 ZINC000450979377 202324399 /nfs/dbraw/zinc/32/43/99/202324399.db2.gz ACMKRLBTTFXJHY-PWSUYJOCSA-N 1 2 235.335 0.863 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H](O)C1CC1 ZINC000612442291 359852773 /nfs/dbraw/zinc/85/27/73/359852773.db2.gz UCVRVUKVKOCORT-LBPRGKRZSA-N 1 2 245.282 0.721 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NCC1CC1 ZINC000451179386 202369265 /nfs/dbraw/zinc/36/92/65/202369265.db2.gz AIMAKBYUPKDHKJ-VIFPVBQESA-N 1 2 200.257 0.556 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NCC1CC1 ZINC000451179386 202369268 /nfs/dbraw/zinc/36/92/68/202369268.db2.gz AIMAKBYUPKDHKJ-VIFPVBQESA-N 1 2 200.257 0.556 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000451180398 202370209 /nfs/dbraw/zinc/37/02/09/202370209.db2.gz CVLMQCZQKQQFHU-AXFHLTTASA-N 1 2 244.310 0.666 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000451180398 202370212 /nfs/dbraw/zinc/37/02/12/202370212.db2.gz CVLMQCZQKQQFHU-AXFHLTTASA-N 1 2 244.310 0.666 20 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ZINC000451132339 202362929 /nfs/dbraw/zinc/36/29/29/202362929.db2.gz WFJPDLMYULFJRJ-UHFFFAOYSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451132339 202362933 /nfs/dbraw/zinc/36/29/33/202362933.db2.gz WFJPDLMYULFJRJ-UHFFFAOYSA-N 1 2 226.320 0.764 20 0 BCADLO CN(C(=O)C[N@H+](C1CC1)C1COC1)C1CC1 ZINC000451133480 202363837 /nfs/dbraw/zinc/36/38/37/202363837.db2.gz ZJPYBJLBNGFBOK-UHFFFAOYSA-N 1 2 224.304 0.470 20 0 BCADLO CN(C(=O)C[N@@H+](C1CC1)C1COC1)C1CC1 ZINC000451133480 202363841 /nfs/dbraw/zinc/36/38/41/202363841.db2.gz ZJPYBJLBNGFBOK-UHFFFAOYSA-N 1 2 224.304 0.470 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191936 202375354 /nfs/dbraw/zinc/37/53/54/202375354.db2.gz SHBVUOSIDAUQBD-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191936 202375357 /nfs/dbraw/zinc/37/53/57/202375357.db2.gz SHBVUOSIDAUQBD-IUCAKERBSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451191814 202377000 /nfs/dbraw/zinc/37/70/00/202377000.db2.gz RTSZPPQGPGSWRV-QMMMGPOBSA-N 1 2 231.271 0.266 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451191814 202377003 /nfs/dbraw/zinc/37/70/03/202377003.db2.gz RTSZPPQGPGSWRV-QMMMGPOBSA-N 1 2 231.271 0.266 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCF ZINC000612575813 359888412 /nfs/dbraw/zinc/88/84/12/359888412.db2.gz FKWZPLHYMYNOIP-RKDXNWHRSA-N 1 2 225.267 0.999 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612576434 359889450 /nfs/dbraw/zinc/88/94/50/359889450.db2.gz LOTYTIWETBVBQM-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612576434 359889454 /nfs/dbraw/zinc/88/94/54/359889454.db2.gz LOTYTIWETBVBQM-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1ncc[nH]1 ZINC000612581093 359892979 /nfs/dbraw/zinc/89/29/79/359892979.db2.gz ACVZVYBWMBCBQI-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO CC[N@H+](CC(=O)NCC1CCC1)C1COC1 ZINC000451283604 202395318 /nfs/dbraw/zinc/39/53/18/202395318.db2.gz IBJCZXUJUXADQU-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@@H+](CC(=O)NCC1CCC1)C1COC1 ZINC000451283604 202395319 /nfs/dbraw/zinc/39/53/19/202395319.db2.gz IBJCZXUJUXADQU-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCOC1 ZINC000087788288 359929436 /nfs/dbraw/zinc/92/94/36/359929436.db2.gz KJTGGHITCLFCBG-ZETCQYMHSA-N 1 2 219.248 0.564 20 0 BCADLO CCN(C)C(=O)C[N@H+](CC)C1COC1 ZINC000451290334 202397942 /nfs/dbraw/zinc/39/79/42/202397942.db2.gz XZOMDUKCWNIVIY-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)C[N@@H+](CC)C1COC1 ZINC000451290334 202397943 /nfs/dbraw/zinc/39/79/43/202397943.db2.gz XZOMDUKCWNIVIY-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CC(C)(C(=O)N1C[C@@H]2C[C@@H]2C1)[NH+]1CCOCC1 ZINC000628515574 359919695 /nfs/dbraw/zinc/91/96/95/359919695.db2.gz KSBHHHOCBMQVBR-PHIMTYICSA-N 1 2 238.331 0.576 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000578594064 366603371 /nfs/dbraw/zinc/60/33/71/366603371.db2.gz SZUKJCKVRXKKRD-ZJUUUORDSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000578594064 366603375 /nfs/dbraw/zinc/60/33/75/366603375.db2.gz SZUKJCKVRXKKRD-ZJUUUORDSA-N 1 2 226.276 0.158 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000612638759 359961491 /nfs/dbraw/zinc/96/14/91/359961491.db2.gz VVYXXBFQJPKPMV-KKZNHRDASA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](CCO)C1CC1 ZINC000088619489 359970452 /nfs/dbraw/zinc/97/04/52/359970452.db2.gz FZMFJGZDCSRBAJ-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](CCO)C1CC1 ZINC000088619489 359970456 /nfs/dbraw/zinc/97/04/56/359970456.db2.gz FZMFJGZDCSRBAJ-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO CNc1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000088752810 359976393 /nfs/dbraw/zinc/97/63/93/359976393.db2.gz ABXFUGLZXKLDJV-UHFFFAOYSA-N 1 2 231.259 0.776 20 0 BCADLO CNc1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000088752810 359976396 /nfs/dbraw/zinc/97/63/96/359976396.db2.gz ABXFUGLZXKLDJV-UHFFFAOYSA-N 1 2 231.259 0.776 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612695123 360011493 /nfs/dbraw/zinc/01/14/93/360011493.db2.gz IPGOZJUZXBHYAF-APOZVJGGSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612695123 360011496 /nfs/dbraw/zinc/01/14/96/360011496.db2.gz IPGOZJUZXBHYAF-APOZVJGGSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612746479 360040149 /nfs/dbraw/zinc/04/01/49/360040149.db2.gz BDLGNHZHBZTAOH-MROQNXINSA-N 1 2 249.358 0.149 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628519560 360002988 /nfs/dbraw/zinc/00/29/88/360002988.db2.gz ZFNNZQQWKNNUFT-LPEHRKFASA-N 1 2 231.299 0.993 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628519560 360002995 /nfs/dbraw/zinc/00/29/95/360002995.db2.gz ZFNNZQQWKNNUFT-LPEHRKFASA-N 1 2 231.299 0.993 20 0 BCADLO O=C(NCC[NH+]1CCC1)[C@H]1CCCc2n[nH]nc21 ZINC000612841465 360105443 /nfs/dbraw/zinc/10/54/43/360105443.db2.gz ADYOQLYECBWODM-VIFPVBQESA-N 1 2 249.318 0.047 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091082903 360101535 /nfs/dbraw/zinc/10/15/35/360101535.db2.gz RYTAQSDVUOSIQB-QMMMGPOBSA-N 1 2 235.278 0.133 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091082903 360101539 /nfs/dbraw/zinc/10/15/39/360101539.db2.gz RYTAQSDVUOSIQB-QMMMGPOBSA-N 1 2 235.278 0.133 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CCCC1 ZINC000090698428 360084472 /nfs/dbraw/zinc/08/44/72/360084472.db2.gz RWLWHDFLEHHIPT-LBPRGKRZSA-N 1 2 237.347 0.293 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccnn1C ZINC000092042279 360146936 /nfs/dbraw/zinc/14/69/36/360146936.db2.gz SOBDXFASZMHVFA-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccnn1C ZINC000092042279 360146938 /nfs/dbraw/zinc/14/69/38/360146938.db2.gz SOBDXFASZMHVFA-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000091667108 360122463 /nfs/dbraw/zinc/12/24/63/360122463.db2.gz ZSEKBSUNWPONRL-WDEREUQCSA-N 1 2 238.335 0.401 20 0 BCADLO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000091667108 360122465 /nfs/dbraw/zinc/12/24/65/360122465.db2.gz ZSEKBSUNWPONRL-WDEREUQCSA-N 1 2 238.335 0.401 20 0 BCADLO COCCN1CC[N@@H+]([C@H]2C=CCCC2)CC1=O ZINC000091813268 360132174 /nfs/dbraw/zinc/13/21/74/360132174.db2.gz AJMRIZRMRUPVEX-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO COCCN1CC[N@H+]([C@H]2C=CCCC2)CC1=O ZINC000091813268 360132176 /nfs/dbraw/zinc/13/21/76/360132176.db2.gz AJMRIZRMRUPVEX-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CCCC[N@H+](CC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000612913069 360183288 /nfs/dbraw/zinc/18/32/88/360183288.db2.gz GAZITFFDMJPJIM-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CCCC[N@@H+](CC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000612913069 360183292 /nfs/dbraw/zinc/18/32/92/360183292.db2.gz GAZITFFDMJPJIM-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092617133 360184585 /nfs/dbraw/zinc/18/45/85/360184585.db2.gz OOCZVNKGVHZOJI-QMMMGPOBSA-N 1 2 210.281 0.863 20 0 BCADLO CC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092617133 360184587 /nfs/dbraw/zinc/18/45/87/360184587.db2.gz OOCZVNKGVHZOJI-QMMMGPOBSA-N 1 2 210.281 0.863 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@@H]2N1 ZINC000092703197 360191160 /nfs/dbraw/zinc/19/11/60/360191160.db2.gz JPAFGDZNAWRGDR-QWRGUYRKSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)[C@H]2CCCC[C@@H]2N1 ZINC000092703197 360191163 /nfs/dbraw/zinc/19/11/63/360191163.db2.gz JPAFGDZNAWRGDR-QWRGUYRKSA-N 1 2 234.303 0.653 20 0 BCADLO CCC[C@@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000093508492 360252920 /nfs/dbraw/zinc/25/29/20/360252920.db2.gz NUGRORVMRPLPHD-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCC[C@@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000093508492 360252923 /nfs/dbraw/zinc/25/29/23/360252923.db2.gz NUGRORVMRPLPHD-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO O=C(CCCF)NCC1([NH+]2CCOCC2)CC1 ZINC000614028429 363709667 /nfs/dbraw/zinc/70/96/67/363709667.db2.gz MCKRQZCROGAFRP-UHFFFAOYSA-N 1 2 244.310 0.717 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C1(C(N)=O)CCCC1 ZINC000093214893 360222724 /nfs/dbraw/zinc/22/27/24/360222724.db2.gz VLYSIYMSWPLIEH-UHFFFAOYSA-N 1 2 249.318 0.289 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C1(C(N)=O)CCCC1 ZINC000093214893 360222727 /nfs/dbraw/zinc/22/27/27/360222727.db2.gz VLYSIYMSWPLIEH-UHFFFAOYSA-N 1 2 249.318 0.289 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CC1=CCCOC1 ZINC000093384981 360236682 /nfs/dbraw/zinc/23/66/82/360236682.db2.gz HUHYPULKDSVTON-SNVBAGLBSA-N 1 2 247.360 0.698 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CC1=CCCOC1 ZINC000093384981 360236689 /nfs/dbraw/zinc/23/66/89/360236689.db2.gz HUHYPULKDSVTON-SNVBAGLBSA-N 1 2 247.360 0.698 20 0 BCADLO O=C(Cc1ccccc1O)NCc1c[nH+]c[nH]1 ZINC000093394822 360241740 /nfs/dbraw/zinc/24/17/40/360241740.db2.gz WBCRRZMMNHJXTO-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO O=C(Cc1ccccc1O)NCc1c[nH]c[nH+]1 ZINC000093394822 360241741 /nfs/dbraw/zinc/24/17/41/360241741.db2.gz WBCRRZMMNHJXTO-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000613008046 360269790 /nfs/dbraw/zinc/26/97/90/360269790.db2.gz IPVGPESNZWGWTR-RNCFNFMXSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000613008046 360269794 /nfs/dbraw/zinc/26/97/94/360269794.db2.gz IPVGPESNZWGWTR-RNCFNFMXSA-N 1 2 249.314 0.810 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CO ZINC000613030269 360277749 /nfs/dbraw/zinc/27/77/49/360277749.db2.gz DNFBWLDNBLGEBG-UWVGGRQHSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CO ZINC000613030269 360277752 /nfs/dbraw/zinc/27/77/52/360277752.db2.gz DNFBWLDNBLGEBG-UWVGGRQHSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1CO ZINC000613023337 360290051 /nfs/dbraw/zinc/29/00/51/360290051.db2.gz DNFBWLDNBLGEBG-VHSXEESVSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1CO ZINC000613023337 360290052 /nfs/dbraw/zinc/29/00/52/360290052.db2.gz DNFBWLDNBLGEBG-VHSXEESVSA-N 1 2 249.314 0.498 20 0 BCADLO Cn1cc[nH+]c1CNc1ccc(C(N)=O)cn1 ZINC000095011535 360330068 /nfs/dbraw/zinc/33/00/68/360330068.db2.gz UNROGELUTCWJON-UHFFFAOYSA-N 1 2 231.259 0.526 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309443566 491148378 /nfs/dbraw/zinc/14/83/78/491148378.db2.gz KTMCDQGSXVPNSS-APPZFPTMSA-N 1 2 222.292 0.599 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnc2n1CCC2 ZINC000613085819 360347373 /nfs/dbraw/zinc/34/73/73/360347373.db2.gz BOWHCPKVNMPCFQ-UHFFFAOYSA-N 1 2 244.254 0.604 20 0 BCADLO COC(=O)CCC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000096630414 360350972 /nfs/dbraw/zinc/35/09/72/360350972.db2.gz PVKFLVICXSMCRL-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO COC(=O)CCC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000096630414 360350978 /nfs/dbraw/zinc/35/09/78/360350978.db2.gz PVKFLVICXSMCRL-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309443568 491148371 /nfs/dbraw/zinc/14/83/71/491148371.db2.gz KTMCDQGSXVPNSS-IONNQARKSA-N 1 2 222.292 0.599 20 0 BCADLO NC(=O)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000306565168 360443915 /nfs/dbraw/zinc/44/39/15/360443915.db2.gz XMYVDTJQPSZMSD-UHFFFAOYSA-N 1 2 225.679 0.652 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CO)CCC1 ZINC000613174027 360476700 /nfs/dbraw/zinc/47/67/00/360476700.db2.gz POZPFZMUOHYCSH-NXEZZACHSA-N 1 2 249.314 0.555 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)N1CCCC1 ZINC000054343977 360501702 /nfs/dbraw/zinc/50/17/02/360501702.db2.gz KFWCEXHWNKJPMS-RYUDHWBXSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)N1CCCC1 ZINC000054343977 360501708 /nfs/dbraw/zinc/50/17/08/360501708.db2.gz KFWCEXHWNKJPMS-RYUDHWBXSA-N 1 2 238.331 0.862 20 0 BCADLO O[C@H]1CCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000631522822 360555005 /nfs/dbraw/zinc/55/50/05/360555005.db2.gz VLWUCRSYLQVFGM-YUMQZZPRSA-N 1 2 236.275 0.606 20 0 BCADLO O[C@H]1CCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000631522822 360555009 /nfs/dbraw/zinc/55/50/09/360555009.db2.gz VLWUCRSYLQVFGM-YUMQZZPRSA-N 1 2 236.275 0.606 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000633830655 360543230 /nfs/dbraw/zinc/54/32/30/360543230.db2.gz NRACGQNEUBAFJC-SNVBAGLBSA-N 1 2 239.319 0.928 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000633830655 360543237 /nfs/dbraw/zinc/54/32/37/360543237.db2.gz NRACGQNEUBAFJC-SNVBAGLBSA-N 1 2 239.319 0.928 20 0 BCADLO COc1cc(NC(=O)Cc2c[nH+]cn2C)[nH]n1 ZINC000628630504 360580530 /nfs/dbraw/zinc/58/05/30/360580530.db2.gz XBACDGBIUGNSHT-UHFFFAOYSA-N 1 2 235.247 0.333 20 0 BCADLO NC(=O)c1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000049714876 181303048 /nfs/dbraw/zinc/30/30/48/181303048.db2.gz IURVPSWJNMOIIS-UHFFFAOYSA-N 1 2 230.271 0.798 20 0 BCADLO OC[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000309504259 491150489 /nfs/dbraw/zinc/15/04/89/491150489.db2.gz MOUPYQBHPJHCGT-QMMMGPOBSA-N 1 2 221.260 0.006 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N(C2CC2)C2CC2)C1 ZINC000628816762 360670097 /nfs/dbraw/zinc/67/00/97/360670097.db2.gz IXEBJOBPFBNZEU-NSHDSACASA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N(C2CC2)C2CC2)C1 ZINC000628816762 360670101 /nfs/dbraw/zinc/67/01/01/360670101.db2.gz IXEBJOBPFBNZEU-NSHDSACASA-N 1 2 224.304 0.470 20 0 BCADLO COC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC1 ZINC000628913810 360746749 /nfs/dbraw/zinc/74/67/49/360746749.db2.gz DMTYMOWITCJLFZ-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC1 ZINC000628913810 360746756 /nfs/dbraw/zinc/74/67/56/360746756.db2.gz DMTYMOWITCJLFZ-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000628911483 360747742 /nfs/dbraw/zinc/74/77/42/360747742.db2.gz DWTWJFILKDSEKN-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000628911483 360747751 /nfs/dbraw/zinc/74/77/51/360747751.db2.gz DWTWJFILKDSEKN-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO Cn1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000628916727 360748921 /nfs/dbraw/zinc/74/89/21/360748921.db2.gz FQKBRXCXCOGBIU-LLVKDONJSA-N 1 2 237.303 0.086 20 0 BCADLO Cn1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000628916727 360748926 /nfs/dbraw/zinc/74/89/26/360748926.db2.gz FQKBRXCXCOGBIU-LLVKDONJSA-N 1 2 237.303 0.086 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000628915889 360749830 /nfs/dbraw/zinc/74/98/30/360749830.db2.gz AHTNPFRLZKWCBA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000628915889 360749835 /nfs/dbraw/zinc/74/98/35/360749835.db2.gz AHTNPFRLZKWCBA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918573 360751076 /nfs/dbraw/zinc/75/10/76/360751076.db2.gz REHGFHOOKNWRBP-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918573 360751077 /nfs/dbraw/zinc/75/10/77/360751077.db2.gz REHGFHOOKNWRBP-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918574 360751540 /nfs/dbraw/zinc/75/15/40/360751540.db2.gz REHGFHOOKNWRBP-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918574 360751542 /nfs/dbraw/zinc/75/15/42/360751542.db2.gz REHGFHOOKNWRBP-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC1CC1 ZINC000628917319 360752975 /nfs/dbraw/zinc/75/29/75/360752975.db2.gz MPGYYUKAYOSRLX-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC1CC1 ZINC000628917319 360752979 /nfs/dbraw/zinc/75/29/79/360752979.db2.gz MPGYYUKAYOSRLX-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000628920230 360756896 /nfs/dbraw/zinc/75/68/96/360756896.db2.gz XKMULYSNVKJOQK-JTQLQIEISA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000628920230 360756902 /nfs/dbraw/zinc/75/69/02/360756902.db2.gz XKMULYSNVKJOQK-JTQLQIEISA-N 1 2 223.276 0.075 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628926332 360758347 /nfs/dbraw/zinc/75/83/47/360758347.db2.gz RQLPZHDTPUWMKZ-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628926332 360758349 /nfs/dbraw/zinc/75/83/49/360758349.db2.gz RQLPZHDTPUWMKZ-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC000628926908 360759339 /nfs/dbraw/zinc/75/93/39/360759339.db2.gz YPNBOOQCHWNIDU-SNVBAGLBSA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC000628926908 360759343 /nfs/dbraw/zinc/75/93/43/360759343.db2.gz YPNBOOQCHWNIDU-SNVBAGLBSA-N 1 2 235.287 0.142 20 0 BCADLO C/C=C/CNC(=O)[C@H]1COCC[N@H+]1CC ZINC000629036665 360803784 /nfs/dbraw/zinc/80/37/84/360803784.db2.gz WYRKGSBBSGJOEY-RXNUUUNCSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/CNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000629036665 360803787 /nfs/dbraw/zinc/80/37/87/360803787.db2.gz WYRKGSBBSGJOEY-RXNUUUNCSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000629034825 360822504 /nfs/dbraw/zinc/82/25/04/360822504.db2.gz YNYSSBDKRHHCED-QRGHLMKCSA-N 1 2 236.319 0.715 20 0 BCADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cocn1 ZINC000309577212 491152030 /nfs/dbraw/zinc/15/20/30/491152030.db2.gz PIKKSQACHLULDY-JTQLQIEISA-N 1 2 225.292 0.925 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)[C@H](C)N(C)C1=O ZINC000629474438 361086512 /nfs/dbraw/zinc/08/65/12/361086512.db2.gz DGGRUVJXZFBNCN-YUMQZZPRSA-N 1 2 236.275 0.764 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC000640475021 361246912 /nfs/dbraw/zinc/24/69/12/361246912.db2.gz BWUZBAZJWNSEGE-LDYMZIIASA-N 1 2 221.260 0.514 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC000640475021 361246913 /nfs/dbraw/zinc/24/69/13/361246913.db2.gz BWUZBAZJWNSEGE-LDYMZIIASA-N 1 2 221.260 0.514 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640475442 361247629 /nfs/dbraw/zinc/24/76/29/361247629.db2.gz GEDOOIQLFZBUHD-KWQFWETISA-N 1 2 223.276 0.760 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640475442 361247635 /nfs/dbraw/zinc/24/76/35/361247635.db2.gz GEDOOIQLFZBUHD-KWQFWETISA-N 1 2 223.276 0.760 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000640421742 361212947 /nfs/dbraw/zinc/21/29/47/361212947.db2.gz CQCHGLLRRBPTFX-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO CCCc1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000158868740 361213334 /nfs/dbraw/zinc/21/33/34/361213334.db2.gz ZOPKIYZQTQUDLB-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCCc1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000158868740 361213339 /nfs/dbraw/zinc/21/33/39/361213339.db2.gz ZOPKIYZQTQUDLB-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488622 361281416 /nfs/dbraw/zinc/28/14/16/361281416.db2.gz VDTVRGBMZIHZHR-BXKDBHETSA-N 1 2 234.303 0.259 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488622 361281419 /nfs/dbraw/zinc/28/14/19/361281419.db2.gz VDTVRGBMZIHZHR-BXKDBHETSA-N 1 2 234.303 0.259 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488623 361281873 /nfs/dbraw/zinc/28/18/73/361281873.db2.gz VDTVRGBMZIHZHR-CABZTGNLSA-N 1 2 234.303 0.259 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488623 361281878 /nfs/dbraw/zinc/28/18/78/361281878.db2.gz VDTVRGBMZIHZHR-CABZTGNLSA-N 1 2 234.303 0.259 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]c1C ZINC000640489526 361284139 /nfs/dbraw/zinc/28/41/39/361284139.db2.gz YCDCAGWRSIJWPF-ONGXEEELSA-N 1 2 207.277 0.593 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]c1C ZINC000640489526 361284142 /nfs/dbraw/zinc/28/41/42/361284142.db2.gz YCDCAGWRSIJWPF-ONGXEEELSA-N 1 2 207.277 0.593 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3C[C@]3(O)C2)[nH+]c1C ZINC000640489526 361284148 /nfs/dbraw/zinc/28/41/48/361284148.db2.gz YCDCAGWRSIJWPF-ONGXEEELSA-N 1 2 207.277 0.593 20 0 BCADLO C[C@@H](C(=O)NCCCF)[NH+]1CCOCC1 ZINC000579002778 366692260 /nfs/dbraw/zinc/69/22/60/366692260.db2.gz UKRLAQIQPATELU-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1C1CC1 ZINC000640477870 361253810 /nfs/dbraw/zinc/25/38/10/361253810.db2.gz UVNGFPVATFCPDX-BXKDBHETSA-N 1 2 234.303 0.488 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1C1CC1 ZINC000640477870 361253816 /nfs/dbraw/zinc/25/38/16/361253816.db2.gz UVNGFPVATFCPDX-BXKDBHETSA-N 1 2 234.303 0.488 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478690 361255724 /nfs/dbraw/zinc/25/57/24/361255724.db2.gz BLFLSLYHKVQLPS-FJXKBIBVSA-N 1 2 211.290 0.666 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478690 361255728 /nfs/dbraw/zinc/25/57/28/361255728.db2.gz BLFLSLYHKVQLPS-FJXKBIBVSA-N 1 2 211.290 0.666 20 0 BCADLO COc1cc(C)[nH+]c(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000640479670 361260624 /nfs/dbraw/zinc/26/06/24/361260624.db2.gz FALQNUNAGXFLBB-ZWNOBZJWSA-N 1 2 234.299 0.965 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640485742 361270083 /nfs/dbraw/zinc/27/00/83/361270083.db2.gz WFTDIRPIPBHYFT-SOCHQFKDSA-N 1 2 239.275 0.344 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640485742 361270087 /nfs/dbraw/zinc/27/00/87/361270087.db2.gz WFTDIRPIPBHYFT-SOCHQFKDSA-N 1 2 239.275 0.344 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnc2n1CCCC2 ZINC000579066884 366703704 /nfs/dbraw/zinc/70/37/04/366703704.db2.gz GCYAIWPLMRBKCD-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000066564760 361304313 /nfs/dbraw/zinc/30/43/13/361304313.db2.gz WTERKEDHVQETLP-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000066564760 361304318 /nfs/dbraw/zinc/30/43/18/361304318.db2.gz WTERKEDHVQETLP-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000428294857 201004984 /nfs/dbraw/zinc/00/49/84/201004984.db2.gz NUMJJZJOONIASG-GXSJLCMTSA-N 1 2 234.303 0.666 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000428294857 201004987 /nfs/dbraw/zinc/00/49/87/201004987.db2.gz NUMJJZJOONIASG-GXSJLCMTSA-N 1 2 234.303 0.666 20 0 BCADLO CCO[C@H]1C[C@H]1[NH2+]Cc1nccnc1OC ZINC000579194699 366731208 /nfs/dbraw/zinc/73/12/08/366731208.db2.gz KQSDILDVNSDQTK-SCZZXKLOSA-N 1 2 223.276 0.752 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)CC(C)C)[nH]1 ZINC000428442811 201017046 /nfs/dbraw/zinc/01/70/46/201017046.db2.gz OHRYRUWQHMPEGR-SNVBAGLBSA-N 1 2 226.324 0.952 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](CO)CC(C)C)[nH]1 ZINC000428442811 201017049 /nfs/dbraw/zinc/01/70/49/201017049.db2.gz OHRYRUWQHMPEGR-SNVBAGLBSA-N 1 2 226.324 0.952 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ncn1 ZINC000428443658 201017687 /nfs/dbraw/zinc/01/76/87/201017687.db2.gz SEWUYNQASSVOCU-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ncn1 ZINC000428443658 201017690 /nfs/dbraw/zinc/01/76/90/201017690.db2.gz SEWUYNQASSVOCU-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)CC(N)=O)cn1 ZINC000428469763 201022167 /nfs/dbraw/zinc/02/21/67/201022167.db2.gz XAGBIEWHWVCGSM-MRVPVSSYSA-N 1 2 208.265 0.263 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)CC(N)=O)cn1 ZINC000428469763 201022170 /nfs/dbraw/zinc/02/21/70/201022170.db2.gz XAGBIEWHWVCGSM-MRVPVSSYSA-N 1 2 208.265 0.263 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)CC(=O)N(C)C)cn1 ZINC000428472305 201023371 /nfs/dbraw/zinc/02/33/71/201023371.db2.gz HJIUIPPZBIZYOJ-SNVBAGLBSA-N 1 2 236.319 0.866 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000428472305 201023372 /nfs/dbraw/zinc/02/33/72/201023372.db2.gz HJIUIPPZBIZYOJ-SNVBAGLBSA-N 1 2 236.319 0.866 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(CO)CC2)[nH]1 ZINC000428479859 201023672 /nfs/dbraw/zinc/02/36/72/201023672.db2.gz GYXJGVNCRAROIV-UHFFFAOYSA-N 1 2 210.281 0.317 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(CO)CC2)[nH]1 ZINC000428479859 201023674 /nfs/dbraw/zinc/02/36/74/201023674.db2.gz GYXJGVNCRAROIV-UHFFFAOYSA-N 1 2 210.281 0.317 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000428491253 201024528 /nfs/dbraw/zinc/02/45/28/201024528.db2.gz 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JVQQPYDMYDIWIU-VIFPVBQESA-N 1 2 242.323 0.103 20 0 BCADLO CC(C)c1nnc(C[N@H+](CCO)C[C@H](C)O)[nH]1 ZINC000428946407 201052378 /nfs/dbraw/zinc/05/23/78/201052378.db2.gz JVQQPYDMYDIWIU-VIFPVBQESA-N 1 2 242.323 0.103 20 0 BCADLO OC[C@@H]1CCCC[N@@H+]1Cc1cnns1 ZINC000306636168 361386744 /nfs/dbraw/zinc/38/67/44/361386744.db2.gz AXNHPJHHFUZFHM-QMMMGPOBSA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@@H]1CCCC[N@H+]1Cc1cnns1 ZINC000306636168 361386747 /nfs/dbraw/zinc/38/67/47/361386747.db2.gz AXNHPJHHFUZFHM-QMMMGPOBSA-N 1 2 213.306 0.885 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429158555 201074743 /nfs/dbraw/zinc/07/47/43/201074743.db2.gz CONMKIPONAOJQP-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429158555 201074745 /nfs/dbraw/zinc/07/47/45/201074745.db2.gz CONMKIPONAOJQP-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO COc1cnccc1CNC(=O)Cn1cc[nH+]c1 ZINC000614349878 363784295 /nfs/dbraw/zinc/78/42/95/363784295.db2.gz VVICHJXNSAGRHZ-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429557122 201114219 /nfs/dbraw/zinc/11/42/19/201114219.db2.gz GJMXPTALPNLPNT-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429557122 201114221 /nfs/dbraw/zinc/11/42/21/201114221.db2.gz GJMXPTALPNLPNT-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557157 201116261 /nfs/dbraw/zinc/11/62/61/201116261.db2.gz BQINKOXVGWQMGL-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557157 201116265 /nfs/dbraw/zinc/11/62/65/201116265.db2.gz BQINKOXVGWQMGL-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)CC[S@]1=O ZINC000429571471 201119300 /nfs/dbraw/zinc/11/93/00/201119300.db2.gz DILVOKRUBROJBK-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO CCCC[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353723341 366794655 /nfs/dbraw/zinc/79/46/55/366794655.db2.gz IRXCZEOMDKCXEL-MRVPVSSYSA-N 1 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0.020 20 0 BCADLO OCC[N@H+](CC(F)F)CC1CCOCC1 ZINC000194864765 361532441 /nfs/dbraw/zinc/53/24/41/361532441.db2.gz BZBMOKZUZQSRJB-UHFFFAOYSA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)CC1CCOCC1 ZINC000194864765 361532445 /nfs/dbraw/zinc/53/24/45/361532445.db2.gz BZBMOKZUZQSRJB-UHFFFAOYSA-N 1 2 223.263 0.972 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551638 201226097 /nfs/dbraw/zinc/22/60/97/201226097.db2.gz IXRSZVNTXGTOCN-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551638 201226102 /nfs/dbraw/zinc/22/61/02/201226102.db2.gz IXRSZVNTXGTOCN-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)CO1 ZINC000434546127 201226221 /nfs/dbraw/zinc/22/62/21/201226221.db2.gz FOAQVWWMRXTLIL-AXFHLTTASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)CO1 ZINC000434546127 201226223 /nfs/dbraw/zinc/22/62/23/201226223.db2.gz FOAQVWWMRXTLIL-AXFHLTTASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](C)CO1 ZINC000434546130 201226407 /nfs/dbraw/zinc/22/64/07/201226407.db2.gz FOAQVWWMRXTLIL-MXWKQRLJSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](C)CO1 ZINC000434546130 201226411 /nfs/dbraw/zinc/22/64/11/201226411.db2.gz FOAQVWWMRXTLIL-MXWKQRLJSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CC2)CC(=O)N1 ZINC000448551647 201225884 /nfs/dbraw/zinc/22/58/84/201225884.db2.gz LHYKLSIZNVIDCY-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CC2)CC(=O)N1 ZINC000448551647 201225888 /nfs/dbraw/zinc/22/58/88/201225888.db2.gz LHYKLSIZNVIDCY-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000448551639 201226850 /nfs/dbraw/zinc/22/68/50/201226850.db2.gz IXRSZVNTXGTOCN-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000448551639 201226851 /nfs/dbraw/zinc/22/68/51/201226851.db2.gz IXRSZVNTXGTOCN-SNVBAGLBSA-N 1 2 214.309 0.479 20 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249.314 0.808 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000629689726 361623520 /nfs/dbraw/zinc/62/35/20/361623520.db2.gz PZCOCGNHKZVJIE-GUBZILKMSA-N 1 2 249.314 0.808 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000435958456 201302370 /nfs/dbraw/zinc/30/23/70/201302370.db2.gz MDHPLCMWSQNAKG-TUAOUCFPSA-N 1 2 238.331 0.622 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000435958456 201302371 /nfs/dbraw/zinc/30/23/71/201302371.db2.gz MDHPLCMWSQNAKG-TUAOUCFPSA-N 1 2 238.331 0.622 20 0 BCADLO CSC[C@@H](O)CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000436481490 201329482 /nfs/dbraw/zinc/32/94/82/201329482.db2.gz BFILQLNMNKUJKQ-NWDGAFQWSA-N 1 2 246.420 0.982 20 0 BCADLO CSC[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000436481490 201329484 /nfs/dbraw/zinc/32/94/84/201329484.db2.gz BFILQLNMNKUJKQ-NWDGAFQWSA-N 1 2 246.420 0.982 20 0 BCADLO CCC[N@H+](C)Cc1nnc2n1CCOC2 ZINC000436150411 201311993 /nfs/dbraw/zinc/31/19/93/201311993.db2.gz TUNDMULLSNNTIO-UHFFFAOYSA-N 1 2 210.281 0.650 20 0 BCADLO CCC[N@@H+](C)Cc1nnc2n1CCOC2 ZINC000436150411 201311997 /nfs/dbraw/zinc/31/19/97/201311997.db2.gz TUNDMULLSNNTIO-UHFFFAOYSA-N 1 2 210.281 0.650 20 0 BCADLO COc1cncnc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000436500206 201332195 /nfs/dbraw/zinc/33/21/95/201332195.db2.gz VDDNRDYGKSWBPN-UHFFFAOYSA-N 1 2 248.246 0.530 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)[C@@H](O)C(F)(F)F ZINC000631231826 361728736 /nfs/dbraw/zinc/72/87/36/361728736.db2.gz LHGSLZJHIALQBO-CAHLUQPWSA-N 1 2 223.198 0.811 20 0 BCADLO O=C(CCCF)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614510835 363833840 /nfs/dbraw/zinc/83/38/40/363833840.db2.gz CSLOYTBPTOCDGA-NSHDSACASA-N 1 2 243.326 0.242 20 0 BCADLO O=C(CCCF)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614510835 363833843 /nfs/dbraw/zinc/83/38/43/363833843.db2.gz CSLOYTBPTOCDGA-NSHDSACASA-N 1 2 243.326 0.242 20 0 BCADLO C[C@@H]1OCC[N@H+](CCCS(C)(=O)=O)[C@H]1C ZINC000156031471 201383767 /nfs/dbraw/zinc/38/37/67/201383767.db2.gz NNCAZNYCRLDXIE-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1OCC[N@@H+](CCCS(C)(=O)=O)[C@H]1C ZINC000156031471 201383771 /nfs/dbraw/zinc/38/37/71/201383771.db2.gz NNCAZNYCRLDXIE-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cn1cccn1 ZINC000622082233 370697932 /nfs/dbraw/zinc/69/79/32/370697932.db2.gz JLSZISRHLMTYCK-JTQLQIEISA-N 1 2 247.302 0.977 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cn1cccn1 ZINC000622082234 370697886 /nfs/dbraw/zinc/69/78/86/370697886.db2.gz JLSZISRHLMTYCK-SNVBAGLBSA-N 1 2 247.302 0.977 20 0 BCADLO CCN(C(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000170671621 363999049 /nfs/dbraw/zinc/99/90/49/363999049.db2.gz ZFEDKIBEZUNJCH-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC=CC1 ZINC000630409129 364141668 /nfs/dbraw/zinc/14/16/68/364141668.db2.gz DNUHOWGIMPOMQI-JTQLQIEISA-N 1 2 220.276 0.853 20 0 BCADLO CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000170739879 364101468 /nfs/dbraw/zinc/10/14/68/364101468.db2.gz VKXURHZUCPCXKT-UHFFFAOYSA-N 1 2 243.351 0.760 20 0 BCADLO CC(C)NC(=O)C1([NH+]2CCOCC2)CC1 ZINC000630386938 364101513 /nfs/dbraw/zinc/10/15/13/364101513.db2.gz BCMRQMSFYRHLCL-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn(C)nn1 ZINC000622084043 370701183 /nfs/dbraw/zinc/70/11/83/370701183.db2.gz QLMBCNFRRTUCSA-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC1(CO)CCC1 ZINC000622099282 370708644 /nfs/dbraw/zinc/70/86/44/370708644.db2.gz LYZDZOJPCANMNP-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO CC[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)O ZINC000622133860 370727497 /nfs/dbraw/zinc/72/74/97/370727497.db2.gz MWUURGFPYJLITQ-WCBMZHEXSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)O ZINC000622133860 370727499 /nfs/dbraw/zinc/72/74/99/370727499.db2.gz MWUURGFPYJLITQ-WCBMZHEXSA-N 1 2 225.292 0.775 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1c[nH]c(=O)n1C ZINC000630552068 364246793 /nfs/dbraw/zinc/24/67/93/364246793.db2.gz WPBUOBGUWYPWQL-UHFFFAOYSA-N 1 2 249.274 0.131 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000630612332 364343712 /nfs/dbraw/zinc/34/37/12/364343712.db2.gz AMPFSXUUNWYQPQ-LSCVPOLPSA-N 1 2 248.330 0.985 20 0 BCADLO c1cn(Cc2cn(C[C@H]3CCCO3)nn2)c[nH+]1 ZINC000630609402 364339635 /nfs/dbraw/zinc/33/96/35/364339635.db2.gz PYPNFVVGPRSKPH-LLVKDONJSA-N 1 2 233.275 0.702 20 0 BCADLO Cc1cccnc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000630599703 364311808 /nfs/dbraw/zinc/31/18/08/364311808.db2.gz XICALFDRUUVTGS-LLVKDONJSA-N 1 2 245.286 0.632 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134389246 364400930 /nfs/dbraw/zinc/40/09/30/364400930.db2.gz XJELPDCNIHCFRC-DJLDLDEBSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000134583454 541358514 /nfs/dbraw/zinc/35/85/14/541358514.db2.gz AUBUZGKVGYNWSX-RNFRBKRXSA-N 1 2 210.281 0.633 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000134596432 541358823 /nfs/dbraw/zinc/35/88/23/541358823.db2.gz JMRLDVRGHXQLIN-GZMMTYOYSA-N 1 2 225.292 0.520 20 0 BCADLO CCCN(CC(C)(C)O)C(=O)Cn1cc[nH+]c1 ZINC000579542369 366853284 /nfs/dbraw/zinc/85/32/84/366853284.db2.gz QEXFVBOIHGBOCO-UHFFFAOYSA-N 1 2 239.319 0.893 20 0 BCADLO CCOCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000170849988 364495306 /nfs/dbraw/zinc/49/53/06/364495306.db2.gz BGSDQRUNNPNDQF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1CSC1 ZINC000630735210 364525363 /nfs/dbraw/zinc/52/53/63/364525363.db2.gz QHRHFINYOPSFQN-UHFFFAOYSA-N 1 2 211.290 0.362 20 0 BCADLO Cc1nccnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615157785 364547896 /nfs/dbraw/zinc/54/78/96/364547896.db2.gz GUTMWILZMXSFFH-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)CO)c1[nH]cc[nH+]1 ZINC000615159300 364550951 /nfs/dbraw/zinc/55/09/51/364550951.db2.gz YDEHFHVMWCAPGQ-SSDOTTSWSA-N 1 2 211.265 0.605 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H]2C[C@H]21 ZINC000615176573 364595093 /nfs/dbraw/zinc/59/50/93/364595093.db2.gz ODQVZNLONIPTLE-FXAINCCUSA-N 1 2 247.298 0.514 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H]2C[C@H]21 ZINC000615176573 364595101 /nfs/dbraw/zinc/59/51/01/364595101.db2.gz ODQVZNLONIPTLE-FXAINCCUSA-N 1 2 247.298 0.514 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000554562096 364689011 /nfs/dbraw/zinc/68/90/11/364689011.db2.gz FZMVXVHKTSKVLX-MRVPVSSYSA-N 1 2 221.297 0.607 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000554562096 364689012 /nfs/dbraw/zinc/68/90/12/364689012.db2.gz FZMVXVHKTSKVLX-MRVPVSSYSA-N 1 2 221.297 0.607 20 0 BCADLO O=C(C1CC1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000590611226 541374089 /nfs/dbraw/zinc/37/40/89/541374089.db2.gz AAHGTWMTKKUPHY-UHFFFAOYSA-N 1 2 234.303 0.464 20 0 BCADLO C[NH+](C)CCNC(=O)c1c(O)cc(F)cc1F ZINC000093900838 541374990 /nfs/dbraw/zinc/37/49/90/541374990.db2.gz DRZWDFIUUXRPQD-UHFFFAOYSA-N 1 2 244.241 0.962 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573327766 364794294 /nfs/dbraw/zinc/79/42/94/364794294.db2.gz UQBWLXULSLIFQO-ONGXEEELSA-N 1 2 237.303 0.333 20 0 BCADLO c1ccn2nc(NCC[NH+]3CCOCC3)nc2c1 ZINC000094601570 541383700 /nfs/dbraw/zinc/38/37/00/541383700.db2.gz FLWQEOOSQHRHMY-UHFFFAOYSA-N 1 2 247.302 0.473 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000168183829 364880379 /nfs/dbraw/zinc/88/03/79/364880379.db2.gz WGJWHEYRLXYVTR-CIUDSAMLSA-N 1 2 215.293 0.687 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)n1 ZINC000573829934 364927328 /nfs/dbraw/zinc/92/73/28/364927328.db2.gz HPZCMWQBFQFXNM-SECBINFHSA-N 1 2 245.286 0.173 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc(C)[nH]1 ZINC000573832981 364927599 /nfs/dbraw/zinc/92/75/99/364927599.db2.gz NHIVRHAOCAWJMM-SNVBAGLBSA-N 1 2 236.319 0.884 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc(C)[nH]1 ZINC000573832981 364927609 /nfs/dbraw/zinc/92/76/09/364927609.db2.gz NHIVRHAOCAWJMM-SNVBAGLBSA-N 1 2 236.319 0.884 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000573855526 364932341 /nfs/dbraw/zinc/93/23/41/364932341.db2.gz KVRKRZOWRHDLGL-SECBINFHSA-N 1 2 223.276 0.424 20 0 BCADLO CC(C)N(C(=O)Cn1cc[nH+]c1)C1COC1 ZINC000573914409 364943842 /nfs/dbraw/zinc/94/38/42/364943842.db2.gz HFFDSZHQSLUZQK-UHFFFAOYSA-N 1 2 223.276 0.519 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)N1C ZINC000335313645 541422461 /nfs/dbraw/zinc/42/24/61/541422461.db2.gz NZGLZKNHVVFRRJ-SNVBAGLBSA-N 1 2 233.271 0.371 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573932515 364949688 /nfs/dbraw/zinc/94/96/88/364949688.db2.gz LRVVAUDJJPSFPC-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573932515 364949690 /nfs/dbraw/zinc/94/96/90/364949690.db2.gz LRVVAUDJJPSFPC-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N(C)C(C)(C)C1=O ZINC000336024388 541424612 /nfs/dbraw/zinc/42/46/12/541424612.db2.gz HMOVTTMNERFVSR-UHFFFAOYSA-N 1 2 236.275 0.593 20 0 BCADLO CCN(CCCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573979052 364960382 /nfs/dbraw/zinc/96/03/82/364960382.db2.gz FYKMJMQXCNNWSQ-JTQLQIEISA-N 1 2 239.319 0.819 20 0 BCADLO CCN(CCCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573979052 364960387 /nfs/dbraw/zinc/96/03/87/364960387.db2.gz FYKMJMQXCNNWSQ-JTQLQIEISA-N 1 2 239.319 0.819 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cnnn1C ZINC000574201924 365009696 /nfs/dbraw/zinc/00/96/96/365009696.db2.gz WHJIBODKIYDVBT-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cnnn1C ZINC000574201924 365009701 /nfs/dbraw/zinc/00/97/01/365009701.db2.gz WHJIBODKIYDVBT-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCc3ccsc3C2)C(=O)N1 ZINC000574336565 365040010 /nfs/dbraw/zinc/04/00/10/365040010.db2.gz SZFMLYQWMCGGHA-QMMMGPOBSA-N 1 2 236.296 0.521 20 0 BCADLO O=C1C[C@H]([N@H+]2CCc3ccsc3C2)C(=O)N1 ZINC000574336565 365040017 /nfs/dbraw/zinc/04/00/17/365040017.db2.gz SZFMLYQWMCGGHA-QMMMGPOBSA-N 1 2 236.296 0.521 20 0 BCADLO CN(Cc1cccn1C)C(=O)Cc1c[nH+]cn1C ZINC000574354813 365044143 /nfs/dbraw/zinc/04/41/43/365044143.db2.gz CJUIIPDKJKYQOR-UHFFFAOYSA-N 1 2 246.314 0.960 20 0 BCADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@H]1CCNC1=O ZINC000574257280 365020607 /nfs/dbraw/zinc/02/06/07/365020607.db2.gz IONLTXNHVQBNKQ-VIFPVBQESA-N 1 2 247.302 0.376 20 0 BCADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@H]1CCNC1=O ZINC000574257280 365020615 /nfs/dbraw/zinc/02/06/15/365020615.db2.gz IONLTXNHVQBNKQ-VIFPVBQESA-N 1 2 247.302 0.376 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574521727 365081484 /nfs/dbraw/zinc/08/14/84/365081484.db2.gz HOSBILJNQKEJGW-YUSALJHKSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CO ZINC000574530383 365085372 /nfs/dbraw/zinc/08/53/72/365085372.db2.gz AKGIPPDFUDXEII-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CO ZINC000574530383 365085376 /nfs/dbraw/zinc/08/53/76/365085376.db2.gz AKGIPPDFUDXEII-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000574595301 365099076 /nfs/dbraw/zinc/09/90/76/365099076.db2.gz BVHBYEYBSLWVCD-QWRGUYRKSA-N 1 2 237.303 0.382 20 0 BCADLO COC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574759847 365138003 /nfs/dbraw/zinc/13/80/03/365138003.db2.gz NAHZTFWWNZSCCN-NXEZZACHSA-N 1 2 225.292 0.985 20 0 BCADLO COCC1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000574715652 365129564 /nfs/dbraw/zinc/12/95/64/365129564.db2.gz HIESGNMHVROAHE-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)Cc1c[nH+]cn1C ZINC000574821609 365153722 /nfs/dbraw/zinc/15/37/22/365153722.db2.gz DNTHRHXYBNFAAV-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO COCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000574853801 365160079 /nfs/dbraw/zinc/16/00/79/365160079.db2.gz XZVGFVSIMGNQSM-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)NCC1([S@](C)=O)CC1 ZINC000442920352 193004916 /nfs/dbraw/zinc/00/49/16/193004916.db2.gz COATXNLFOZMWNV-ABKXIKBNSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)NCC1([S@](C)=O)CC1 ZINC000442920352 193004917 /nfs/dbraw/zinc/00/49/17/193004917.db2.gz COATXNLFOZMWNV-ABKXIKBNSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@H]1COCCN1CCC[NH+]1CCOCC1 ZINC000157629053 193010079 /nfs/dbraw/zinc/01/00/79/193010079.db2.gz SVZUFUGWYJHNJE-LBPRGKRZSA-N 1 2 228.336 0.429 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1F ZINC000575155265 365223834 /nfs/dbraw/zinc/22/38/34/365223834.db2.gz GIZGPODNNMPHHH-BDAKNGLRSA-N 1 2 211.240 0.890 20 0 BCADLO CC(=O)NCCCNc1cc[nH+]c2ccncc12 ZINC000444100829 193034193 /nfs/dbraw/zinc/03/41/93/193034193.db2.gz HNFFCGSPAXWUCG-UHFFFAOYSA-N 1 2 244.298 0.990 20 0 BCADLO CSCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418433 365197166 /nfs/dbraw/zinc/19/71/66/365197166.db2.gz ZZUNLPUKNNRMTI-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO C[C@@H](NC(=O)N1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171716209 365227902 /nfs/dbraw/zinc/22/79/02/365227902.db2.gz UKNZPEKVJPIGAR-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000157768825 193024296 /nfs/dbraw/zinc/02/42/96/193024296.db2.gz AOGYIPNGIZTNDS-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000157768825 193024298 /nfs/dbraw/zinc/02/42/98/193024298.db2.gz AOGYIPNGIZTNDS-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000171574939 365217678 /nfs/dbraw/zinc/21/76/78/365217678.db2.gz NZBVKRCDWSIVPX-UWVGGRQHSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000171574935 365218464 /nfs/dbraw/zinc/21/84/64/365218464.db2.gz NZBVKRCDWSIVPX-NXEZZACHSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1CCCS(C)(=O)=O ZINC000575243993 365268938 /nfs/dbraw/zinc/26/89/38/365268938.db2.gz FMBKXPHBCXABNU-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1CCCS(C)(=O)=O ZINC000575243993 365268939 /nfs/dbraw/zinc/26/89/39/365268939.db2.gz FMBKXPHBCXABNU-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CCCS(C)(=O)=O ZINC000575243993 365268942 /nfs/dbraw/zinc/26/89/42/365268942.db2.gz FMBKXPHBCXABNU-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CCCS(C)(=O)=O ZINC000575243993 365268946 /nfs/dbraw/zinc/26/89/46/365268946.db2.gz FMBKXPHBCXABNU-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cnn1 ZINC000575428801 365318721 /nfs/dbraw/zinc/31/87/21/365318721.db2.gz AVJQFCADYMWMDJ-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO Cn1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000575880649 365403791 /nfs/dbraw/zinc/40/37/91/365403791.db2.gz XVSKTEPMWCEXOA-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(=O)n(C)cn1 ZINC000576052523 365466321 /nfs/dbraw/zinc/46/63/21/365466321.db2.gz NLOPJMBBHBILHW-VIFPVBQESA-N 1 2 233.275 0.477 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(=O)n(C)cn1 ZINC000576052522 365466331 /nfs/dbraw/zinc/46/63/31/365466331.db2.gz NLOPJMBBHBILHW-SECBINFHSA-N 1 2 233.275 0.477 20 0 BCADLO CCOCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000576063522 365472679 /nfs/dbraw/zinc/47/26/79/365472679.db2.gz BLESNGZHPYFGTR-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)OC(C)C ZINC000173499831 365426249 /nfs/dbraw/zinc/42/62/49/365426249.db2.gz ISCVEFRAUFJVLS-UHFFFAOYSA-N 1 2 217.265 0.433 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)OC(C)C ZINC000173499831 365426257 /nfs/dbraw/zinc/42/62/57/365426257.db2.gz ISCVEFRAUFJVLS-UHFFFAOYSA-N 1 2 217.265 0.433 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC12CC2 ZINC000622275893 370816913 /nfs/dbraw/zinc/81/69/13/370816913.db2.gz VYRONCLXTFOKDF-SNVBAGLBSA-N 1 2 224.304 0.235 20 0 BCADLO CC1(CO)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000576127654 365495980 /nfs/dbraw/zinc/49/59/80/365495980.db2.gz SPBGYESZXXWXFK-UHFFFAOYSA-N 1 2 234.303 0.870 20 0 BCADLO CC1(CO)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000576127654 365495987 /nfs/dbraw/zinc/49/59/87/365495987.db2.gz SPBGYESZXXWXFK-UHFFFAOYSA-N 1 2 234.303 0.870 20 0 BCADLO CCOC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000576141217 365498805 /nfs/dbraw/zinc/49/88/05/365498805.db2.gz ZOXRLZFZMNYSMS-UHFFFAOYSA-N 1 2 223.276 0.210 20 0 BCADLO CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000174618738 365500106 /nfs/dbraw/zinc/50/01/06/365500106.db2.gz COVXGEUTMQKSDB-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000174618738 365500107 /nfs/dbraw/zinc/50/01/07/365500107.db2.gz COVXGEUTMQKSDB-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO COC[C@@](C)([NH2+]CC1CCOCC1)C(=O)OC ZINC000182594342 366919267 /nfs/dbraw/zinc/91/92/67/366919267.db2.gz LQORZLGDUSIALM-GFCCVEGCSA-N 1 2 245.319 0.581 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ncnn1C ZINC000182643624 366926181 /nfs/dbraw/zinc/92/61/81/366926181.db2.gz YKXDNTIMILKETJ-SECBINFHSA-N 1 2 240.307 0.589 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ncnn1C ZINC000182643624 366926183 /nfs/dbraw/zinc/92/61/83/366926183.db2.gz YKXDNTIMILKETJ-SECBINFHSA-N 1 2 240.307 0.589 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCn2nncc2C1 ZINC000579733083 366998016 /nfs/dbraw/zinc/99/80/16/366998016.db2.gz DKGCQPJAMHUPJQ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cnccc1C[N@H+]1CCn2nncc2C1 ZINC000579733083 366998021 /nfs/dbraw/zinc/99/80/21/366998021.db2.gz DKGCQPJAMHUPJQ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[NH+](C)CCCNC(=O)c1cccc2[nH]nnc21 ZINC000183297056 367011930 /nfs/dbraw/zinc/01/19/30/367011930.db2.gz RSGRJAOYMDRCDH-UHFFFAOYSA-N 1 2 247.302 0.639 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@]23CCNC3=O)n1 ZINC000579974823 367112496 /nfs/dbraw/zinc/11/24/96/367112496.db2.gz AFKNCEIURJNBFQ-LLVKDONJSA-N 1 2 236.275 0.233 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@]23CCNC3=O)n1 ZINC000579974823 367112500 /nfs/dbraw/zinc/11/25/00/367112500.db2.gz AFKNCEIURJNBFQ-LLVKDONJSA-N 1 2 236.275 0.233 20 0 BCADLO CCc1cc(N2CCn3nncc3C2)nc(C)[nH+]1 ZINC000579977365 367114009 /nfs/dbraw/zinc/11/40/09/367114009.db2.gz BUYFDGBQYWRBLK-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CO)[C@H](O)C2)o1 ZINC000579998341 367117719 /nfs/dbraw/zinc/11/77/19/367117719.db2.gz XACRDAJKTGZRRY-HBNTYKKESA-N 1 2 240.303 0.719 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](CO)[C@H](O)C2)o1 ZINC000579998341 367117720 /nfs/dbraw/zinc/11/77/20/367117720.db2.gz XACRDAJKTGZRRY-HBNTYKKESA-N 1 2 240.303 0.719 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000618920014 367128736 /nfs/dbraw/zinc/12/87/36/367128736.db2.gz NRLTZYZKIOAGIO-WDEREUQCSA-N 1 2 237.303 0.645 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000622307615 370835993 /nfs/dbraw/zinc/83/59/93/370835993.db2.gz GLBIUJCVXZAFAA-SSDOTTSWSA-N 1 2 215.203 0.655 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000622309151 370837259 /nfs/dbraw/zinc/83/72/59/370837259.db2.gz FLHOURJZDWNLKB-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000580772610 367161838 /nfs/dbraw/zinc/16/18/38/367161838.db2.gz KKZGLNMIUGVTEG-IONNQARKSA-N 1 2 243.332 0.420 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H]1CCNC1=O ZINC000580960879 367220104 /nfs/dbraw/zinc/22/01/04/367220104.db2.gz YGYYGSSAHJFAGU-SECBINFHSA-N 1 2 242.319 0.444 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCn2nccc21 ZINC000622344519 370857989 /nfs/dbraw/zinc/85/79/89/370857989.db2.gz UZRZTRKZKLQMTG-UHFFFAOYSA-N 1 2 245.286 0.596 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC(=O)N1CCCC1 ZINC000580948483 367214847 /nfs/dbraw/zinc/21/48/47/367214847.db2.gz HLFGZABEZZNNAE-LBPRGKRZSA-N 1 2 239.363 0.635 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC(=O)N1CCCC1 ZINC000580948483 367214853 /nfs/dbraw/zinc/21/48/53/367214853.db2.gz HLFGZABEZZNNAE-LBPRGKRZSA-N 1 2 239.363 0.635 20 0 BCADLO C[C@H](CC(=O)NC[C@H](C)O)n1cc[nH+]c1 ZINC000581016414 367237193 /nfs/dbraw/zinc/23/71/93/367237193.db2.gz RFXPBMNLNDMSDI-BDAKNGLRSA-N 1 2 211.265 0.331 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCn1cccn1 ZINC000581022152 367239250 /nfs/dbraw/zinc/23/92/50/367239250.db2.gz MEIAEYHZDYIGGH-UHFFFAOYSA-N 1 2 247.302 0.806 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCCOC1 ZINC000581022523 367239695 /nfs/dbraw/zinc/23/96/95/367239695.db2.gz XTVMJWQXEYIVJQ-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC(O)C3)ccn12 ZINC000581201410 367294032 /nfs/dbraw/zinc/29/40/32/367294032.db2.gz WGKPFLLHBBPAMM-UHFFFAOYSA-N 1 2 231.255 0.459 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000380785839 367303213 /nfs/dbraw/zinc/30/32/13/367303213.db2.gz CVPQUEFWVQTNCG-RKDXNWHRSA-N 1 2 223.276 0.159 20 0 BCADLO CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)OC)CC1 ZINC000194562449 367304832 /nfs/dbraw/zinc/30/48/32/367304832.db2.gz GUFJQTCLJOZVSD-JTQLQIEISA-N 1 2 243.303 0.823 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ncccc1O ZINC000581396410 367428869 /nfs/dbraw/zinc/42/88/69/367428869.db2.gz ATGUTVQHHFFFNS-UHFFFAOYSA-N 1 2 237.303 0.744 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ncccc1O ZINC000581396410 367428872 /nfs/dbraw/zinc/42/88/72/367428872.db2.gz ATGUTVQHHFFFNS-UHFFFAOYSA-N 1 2 237.303 0.744 20 0 BCADLO CCCCN(CC(N)=O)Cc1[nH+]ccn1CC ZINC000195514675 367365745 /nfs/dbraw/zinc/36/57/45/367365745.db2.gz JWKHGPAQJJKJJL-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCc1nc(C[NH2+]C[C@H]2COCCN2)cs1 ZINC000382000139 367477081 /nfs/dbraw/zinc/47/70/81/367477081.db2.gz JKXUCDIJPOOKQC-VIFPVBQESA-N 1 2 241.360 0.784 20 0 BCADLO Cc1csc(C[NH2+][C@@]2(C(N)=O)CCOC2)n1 ZINC000581496558 367524645 /nfs/dbraw/zinc/52/46/45/367524645.db2.gz NSWAPDDCKIXRCD-JTQLQIEISA-N 1 2 241.316 0.186 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@](C)(O)C1 ZINC000565557712 325928043 /nfs/dbraw/zinc/92/80/43/325928043.db2.gz RJBUBLCCTZAFTR-LBPRGKRZSA-N 1 2 237.303 0.336 20 0 BCADLO C[C@H]1CCC[C@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000383024699 367587367 /nfs/dbraw/zinc/58/73/67/367587367.db2.gz UYUBLWDOOCXZLD-JQWIXIFHSA-N 1 2 237.303 0.550 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000581571630 367599037 /nfs/dbraw/zinc/59/90/37/367599037.db2.gz VIYWLFHKTUMEJA-WDEREUQCSA-N 1 2 239.319 0.078 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000581571630 367599043 /nfs/dbraw/zinc/59/90/43/367599043.db2.gz VIYWLFHKTUMEJA-WDEREUQCSA-N 1 2 239.319 0.078 20 0 BCADLO O=C([O-])C[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000581560122 367589849 /nfs/dbraw/zinc/58/98/49/367589849.db2.gz WRDQFZOCIYKKEQ-UHFFFAOYSA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])C[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000581560122 367589855 /nfs/dbraw/zinc/58/98/55/367589855.db2.gz WRDQFZOCIYKKEQ-UHFFFAOYSA-N 1 2 223.276 0.822 20 0 BCADLO CCC(CC)[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000383512494 367631841 /nfs/dbraw/zinc/63/18/41/367631841.db2.gz GZTSHLOHMDFEOP-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581610231 367633252 /nfs/dbraw/zinc/63/32/52/367633252.db2.gz FMDQOXFGIZTCGO-FOGDFJRCSA-N 1 2 249.314 0.427 20 0 BCADLO COCC1(O)C[NH+](Cc2cccnc2C)C1 ZINC000383976571 367665554 /nfs/dbraw/zinc/66/55/54/367665554.db2.gz KFTQTRSIUYOYEZ-UHFFFAOYSA-N 1 2 222.288 0.583 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC12CC2 ZINC000622353377 370863652 /nfs/dbraw/zinc/86/36/52/370863652.db2.gz LJYOGHKJVONGJB-QMMMGPOBSA-N 1 2 205.261 0.836 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000384284406 367681325 /nfs/dbraw/zinc/68/13/25/367681325.db2.gz CKZYYBQPXQYLTQ-NRPADANISA-N 1 2 215.293 0.951 20 0 BCADLO CC[C@H](O)CC(=O)NCc1[nH+]ccn1C ZINC000622353534 370863182 /nfs/dbraw/zinc/86/31/82/370863182.db2.gz ROHRNBIYKZPWIN-QMMMGPOBSA-N 1 2 211.265 0.197 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC1(F)F ZINC000622366645 370871204 /nfs/dbraw/zinc/87/12/04/370871204.db2.gz JWSBHPMBGBTTTF-YFKPBYRVSA-N 1 2 201.176 0.681 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ncccc1F ZINC000622364460 370869585 /nfs/dbraw/zinc/86/95/85/370869585.db2.gz WEDHYABEYMHDHI-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC1(F)F ZINC000622364124 370869763 /nfs/dbraw/zinc/86/97/63/370869763.db2.gz LNQMKNBPFVWOCK-ZCFIWIBFSA-N 1 2 215.203 0.724 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cc2n(n1)CCC2 ZINC000622364138 370870262 /nfs/dbraw/zinc/87/02/62/370870262.db2.gz LYEDATAVRDEDCN-UHFFFAOYSA-N 1 2 245.286 0.525 20 0 BCADLO Cc1ccn(CC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000622361874 370868447 /nfs/dbraw/zinc/86/84/47/370868447.db2.gz ZCXCXXOXKPKURR-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO CCn1nnc(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361646 370868556 /nfs/dbraw/zinc/86/85/56/370868556.db2.gz PGWLPYXPCLWZSQ-UHFFFAOYSA-N 1 2 248.290 0.602 20 0 BCADLO CN(C)[C@H](C(=O)NC1CCC1)c1c[nH+]cn1C ZINC000622361060 370868794 /nfs/dbraw/zinc/86/87/94/370868794.db2.gz UFHLUXFJHFYFDZ-NSHDSACASA-N 1 2 236.319 0.692 20 0 BCADLO C[C@H](C[S@@](C)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC000581759813 367810720 /nfs/dbraw/zinc/81/07/20/367810720.db2.gz PBKHYYCBAVHFFC-JDNHERCYSA-N 1 2 243.332 0.109 20 0 BCADLO CCOc1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000622384601 370881516 /nfs/dbraw/zinc/88/15/16/370881516.db2.gz LOERLVVAGOBDNB-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO CCOc1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000622384601 370881522 /nfs/dbraw/zinc/88/15/22/370881522.db2.gz LOERLVVAGOBDNB-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC1(F)F ZINC000622384961 370881965 /nfs/dbraw/zinc/88/19/65/370881965.db2.gz YPVVKXVICHOOSZ-ZCFIWIBFSA-N 1 2 201.176 0.681 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC1(F)F ZINC000622384961 370881974 /nfs/dbraw/zinc/88/19/74/370881974.db2.gz YPVVKXVICHOOSZ-ZCFIWIBFSA-N 1 2 201.176 0.681 20 0 BCADLO C[C@@H](Cc1cnn(C)c1)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384551 370882310 /nfs/dbraw/zinc/88/23/10/370882310.db2.gz KHKVOIUFHNJCNU-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H](Cc1cnn(C)c1)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384551 370882315 /nfs/dbraw/zinc/88/23/15/370882315.db2.gz KHKVOIUFHNJCNU-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000622367027 370872143 /nfs/dbraw/zinc/87/21/43/370872143.db2.gz ZJDXKEPXOOFPBL-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC1(O)CC(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000622366822 370872271 /nfs/dbraw/zinc/87/22/71/370872271.db2.gz QLHAMJNMDINMAA-UHFFFAOYSA-N 1 2 209.249 0.187 20 0 BCADLO CCc1noc(C[N@H+](C)CCn2cccn2)n1 ZINC000069017475 370874679 /nfs/dbraw/zinc/87/46/79/370874679.db2.gz SUMZLUWAELMIMF-UHFFFAOYSA-N 1 2 235.291 0.961 20 0 BCADLO CCc1noc(C[N@@H+](C)CCn2cccn2)n1 ZINC000069017475 370874683 /nfs/dbraw/zinc/87/46/83/370874683.db2.gz SUMZLUWAELMIMF-UHFFFAOYSA-N 1 2 235.291 0.961 20 0 BCADLO O=C([C@H](O)C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000622372777 370877059 /nfs/dbraw/zinc/87/70/59/370877059.db2.gz XRFGNSZJPJMJRA-LLVKDONJSA-N 1 2 235.287 0.427 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]CCOCCO)no1 ZINC000441242880 201543752 /nfs/dbraw/zinc/54/37/52/201543752.db2.gz VVGYNJAPUODTIN-UHFFFAOYSA-N 1 2 243.307 0.466 20 0 BCADLO CC[C@H]1[C@@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000385728008 367858677 /nfs/dbraw/zinc/85/86/77/367858677.db2.gz TULKCKLPLGYDAS-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO C[C@@H]1[C@@H](CO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000385862973 367871007 /nfs/dbraw/zinc/87/10/07/367871007.db2.gz ZYYGYNRVIIFVBU-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000581834529 367838709 /nfs/dbraw/zinc/83/87/09/367838709.db2.gz RZHNJTNIAFLAKM-GZMMTYOYSA-N 1 2 234.303 0.709 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000581918024 367905447 /nfs/dbraw/zinc/90/54/47/367905447.db2.gz GVSHFYCCRLNUGT-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000011680577 367925515 /nfs/dbraw/zinc/92/55/15/367925515.db2.gz LFWIJRMDDYCCED-YFKPBYRVSA-N 1 2 237.288 0.329 20 0 BCADLO COc1ccnc(N(C)Cc2[nH+]ccn2C)n1 ZINC000015116563 367936702 /nfs/dbraw/zinc/93/67/02/367936702.db2.gz OMQJHTVEADDENJ-UHFFFAOYSA-N 1 2 233.275 0.855 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000630921126 367945632 /nfs/dbraw/zinc/94/56/32/367945632.db2.gz CLWZNDKPPZOTAB-MFKMUULPSA-N 1 2 249.314 0.996 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)[C@@H](C)O1 ZINC000630921608 367951456 /nfs/dbraw/zinc/95/14/56/367951456.db2.gz GCUAYDTYCPVZKG-OPRDCNLKSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615478560 368055676 /nfs/dbraw/zinc/05/56/76/368055676.db2.gz MYFPXHWGSDGFDM-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO CSCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615673831 368181263 /nfs/dbraw/zinc/18/12/63/368181263.db2.gz XVCMSNQBPLJYDI-SECBINFHSA-N 1 2 239.344 0.925 20 0 BCADLO COC(=O)CCC[NH+]1CCN(C(=O)OC)CC1 ZINC000387322423 368153263 /nfs/dbraw/zinc/15/32/63/368153263.db2.gz BSQZUJFFWXZWJO-UHFFFAOYSA-N 1 2 244.291 0.324 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000032539750 368258969 /nfs/dbraw/zinc/25/89/69/368258969.db2.gz QNVUZOBDBSFQKP-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000032539750 368258974 /nfs/dbraw/zinc/25/89/74/368258974.db2.gz QNVUZOBDBSFQKP-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000030600307 368247481 /nfs/dbraw/zinc/24/74/81/368247481.db2.gz OWPWXBGGHOHMFF-UHFFFAOYSA-N 1 2 216.244 0.903 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCOC1 ZINC000615752359 368252594 /nfs/dbraw/zinc/25/25/94/368252594.db2.gz FQELGONRPYXFDQ-UHFFFAOYSA-N 1 2 231.255 0.693 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000615693300 368207437 /nfs/dbraw/zinc/20/74/37/368207437.db2.gz PYVRASSNBLNKDF-GMTAPVOTSA-N 1 2 249.314 0.819 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](COC)OC ZINC000615709784 368217667 /nfs/dbraw/zinc/21/76/67/368217667.db2.gz JEPJUYAVVPWPJH-VIFPVBQESA-N 1 2 241.291 0.181 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCOC1 ZINC000615762544 368281544 /nfs/dbraw/zinc/28/15/44/368281544.db2.gz DRPDJRDNSMBDLJ-SECBINFHSA-N 1 2 221.260 0.262 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC1 ZINC000615762509 368281611 /nfs/dbraw/zinc/28/16/11/368281611.db2.gz CCYGWYJBCYKZIB-RKDXNWHRSA-N 1 2 221.260 0.340 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC1 ZINC000615765889 368294045 /nfs/dbraw/zinc/29/40/45/368294045.db2.gz ZTGCZDGIBIFLEX-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC1 ZINC000615765889 368294050 /nfs/dbraw/zinc/29/40/50/368294050.db2.gz ZTGCZDGIBIFLEX-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO CC(C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000047575002 368464737 /nfs/dbraw/zinc/46/47/37/368464737.db2.gz CBLCBGKFLGEHJM-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)N(C(=O)C[NH+]1CCOCC1)C(C)C ZINC000058874531 368523439 /nfs/dbraw/zinc/52/34/39/368523439.db2.gz JKTBQISREDBSRX-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C ZINC000642568155 368507772 /nfs/dbraw/zinc/50/77/72/368507772.db2.gz LMWIAPUWNBGVKM-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CN(Cc1nnc[nH]1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000080530243 368514595 /nfs/dbraw/zinc/51/45/95/368514595.db2.gz RWRSGRXYQKRACE-NSHDSACASA-N 1 2 245.286 0.463 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744320 368568068 /nfs/dbraw/zinc/56/80/68/368568068.db2.gz QMRYSEDKBDPKBS-KXUCPTDWSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744320 368568074 /nfs/dbraw/zinc/56/80/74/368568074.db2.gz QMRYSEDKBDPKBS-KXUCPTDWSA-N 1 2 226.320 0.763 20 0 BCADLO CC[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759736 368594999 /nfs/dbraw/zinc/59/49/99/368594999.db2.gz OWIBBWJBLDADRM-SNVBAGLBSA-N 1 2 241.335 0.052 20 0 BCADLO CC[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759736 368595002 /nfs/dbraw/zinc/59/50/02/368595002.db2.gz OWIBBWJBLDADRM-SNVBAGLBSA-N 1 2 241.335 0.052 20 0 BCADLO CC(C)N(C(=O)[C@H](C)[N@H+](C)CC(N)=O)C(C)C ZINC000064628746 368610319 /nfs/dbraw/zinc/61/03/19/368610319.db2.gz JUFFZYAHTVUTAH-JTQLQIEISA-N 1 2 243.351 0.437 20 0 BCADLO CC(C)N(C(=O)[C@H](C)[N@@H+](C)CC(N)=O)C(C)C ZINC000064628746 368610322 /nfs/dbraw/zinc/61/03/22/368610322.db2.gz JUFFZYAHTVUTAH-JTQLQIEISA-N 1 2 243.351 0.437 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)CC(C)(C)O1 ZINC000065423129 368622100 /nfs/dbraw/zinc/62/21/00/368622100.db2.gz DUOGVWDRISHLQG-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC(C)(C)O1 ZINC000065423129 368622108 /nfs/dbraw/zinc/62/21/08/368622108.db2.gz DUOGVWDRISHLQG-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404185 368647159 /nfs/dbraw/zinc/64/71/59/368647159.db2.gz QMRYSEDKBDPKBS-AEJSXWLSSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404185 368647163 /nfs/dbraw/zinc/64/71/63/368647163.db2.gz QMRYSEDKBDPKBS-AEJSXWLSSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@H](CNC(=O)c1ccon1)[NH+]1CCOCC1 ZINC000067290825 368683399 /nfs/dbraw/zinc/68/33/99/368683399.db2.gz GDTHKSOCZNXVJQ-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457127561 203010030 /nfs/dbraw/zinc/01/00/30/203010030.db2.gz PLMVRZGNEYTGAN-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457127561 203010034 /nfs/dbraw/zinc/01/00/34/203010034.db2.gz PLMVRZGNEYTGAN-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000457400459 203056247 /nfs/dbraw/zinc/05/62/47/203056247.db2.gz YUORNWLVZZOQAG-LLVKDONJSA-N 1 2 240.347 0.871 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622475879 370945237 /nfs/dbraw/zinc/94/52/37/370945237.db2.gz PZSGFZXMBCTTAV-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)C(C)C ZINC000259828874 370946900 /nfs/dbraw/zinc/94/69/00/370946900.db2.gz NYNYNFAXCOPBPW-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)C(C)C ZINC000259828874 370946904 /nfs/dbraw/zinc/94/69/04/370946904.db2.gz NYNYNFAXCOPBPW-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](O)C1 ZINC000074313778 368837191 /nfs/dbraw/zinc/83/71/91/368837191.db2.gz IZWIPAQXLCZNLT-YUMQZZPRSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](O)C1 ZINC000074313778 368837199 /nfs/dbraw/zinc/83/71/99/368837199.db2.gz IZWIPAQXLCZNLT-YUMQZZPRSA-N 1 2 241.316 0.537 20 0 BCADLO O=C(NC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000072793926 368781337 /nfs/dbraw/zinc/78/13/37/368781337.db2.gz HXYYEBFQEFYLFC-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832751 368782437 /nfs/dbraw/zinc/78/24/37/368782437.db2.gz IPJNJWFNCQREHK-GFCCVEGCSA-N 1 2 240.303 0.152 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832751 368782443 /nfs/dbraw/zinc/78/24/43/368782443.db2.gz IPJNJWFNCQREHK-GFCCVEGCSA-N 1 2 240.303 0.152 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000615961354 368796527 /nfs/dbraw/zinc/79/65/27/368796527.db2.gz QLVZSXKWPYOYRB-ZNSHCXBVSA-N 1 2 249.314 0.973 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c2[nH+]ccn21 ZINC000615962555 368797928 /nfs/dbraw/zinc/79/79/28/368797928.db2.gz DSSPYPIXILRVHK-NZFPMDFQSA-N 1 2 247.298 0.898 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c2[nH+]ccn21 ZINC000615962557 368798384 /nfs/dbraw/zinc/79/83/84/368798384.db2.gz DSSPYPIXILRVHK-UVOCVTCTSA-N 1 2 247.298 0.898 20 0 BCADLO Cc1[nH]c(C(=O)NCC2CSC2)c[nH+]1 ZINC000616057299 368924812 /nfs/dbraw/zinc/92/48/12/368924812.db2.gz LFSDJNJDWYNPJN-UHFFFAOYSA-N 1 2 211.290 0.811 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N2)c[nH+]1 ZINC000616114884 368960442 /nfs/dbraw/zinc/96/04/42/368960442.db2.gz FIHHBJWMBZUPDC-JTQLQIEISA-N 1 2 233.271 0.203 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616198315 369031936 /nfs/dbraw/zinc/03/19/36/369031936.db2.gz BFEYWSYKSKCQPJ-MKPLZMMCSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616198315 369031939 /nfs/dbraw/zinc/03/19/39/369031939.db2.gz BFEYWSYKSKCQPJ-MKPLZMMCSA-N 1 2 249.314 0.544 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1O ZINC000616198830 369034040 /nfs/dbraw/zinc/03/40/40/369034040.db2.gz QHOHNRRZJJNMLY-DNRKLUKYSA-N 1 2 249.314 0.553 20 0 BCADLO Cc1ccnc(C(=O)NC2C[NH+](C(C)C)C2)n1 ZINC000457721418 203095578 /nfs/dbraw/zinc/09/55/78/203095578.db2.gz MKPCFYLEPFRQKB-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000618716735 369204008 /nfs/dbraw/zinc/20/40/08/369204008.db2.gz ZEXUZCOCRAGKFS-GWCFXTLKSA-N 1 2 249.314 0.458 20 0 BCADLO CCn1nncc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000459309713 203252537 /nfs/dbraw/zinc/25/25/37/203252537.db2.gz ZHUSIRUBHWPHIH-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO OC[C@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000459344461 203264272 /nfs/dbraw/zinc/26/42/72/203264272.db2.gz NONURRHPBIGCTN-CYBMUJFWSA-N 1 2 243.347 0.886 20 0 BCADLO OC[C@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000459344461 203264276 /nfs/dbraw/zinc/26/42/76/203264276.db2.gz NONURRHPBIGCTN-CYBMUJFWSA-N 1 2 243.347 0.886 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000459356215 203266445 /nfs/dbraw/zinc/26/64/45/203266445.db2.gz CCZASAAUDUZDOL-VHSXEESVSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000459356215 203266448 /nfs/dbraw/zinc/26/64/48/203266448.db2.gz CCZASAAUDUZDOL-VHSXEESVSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000459356214 203267070 /nfs/dbraw/zinc/26/70/70/203267070.db2.gz CCZASAAUDUZDOL-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000459356214 203267074 /nfs/dbraw/zinc/26/70/74/203267074.db2.gz CCZASAAUDUZDOL-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO CC(C)OC1CC([N@H+](C)Cc2nnnn2C)C1 ZINC000459364224 203267922 /nfs/dbraw/zinc/26/79/22/203267922.db2.gz LLMNAXZDRMCWMV-UHFFFAOYSA-N 1 2 239.323 0.598 20 0 BCADLO CC(C)OC1CC([N@@H+](C)Cc2nnnn2C)C1 ZINC000459364224 203267925 /nfs/dbraw/zinc/26/79/25/203267925.db2.gz LLMNAXZDRMCWMV-UHFFFAOYSA-N 1 2 239.323 0.598 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]C[C@H](C)O)C(=O)OC ZINC000459406841 203276136 /nfs/dbraw/zinc/27/61/36/203276136.db2.gz OQWMTZBPPIHBSM-HRDYMLBCSA-N 1 2 203.282 0.545 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459456753 203282686 /nfs/dbraw/zinc/28/26/86/203282686.db2.gz PMAHIBJLEUUTQW-SNVBAGLBSA-N 1 2 247.701 0.943 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459456753 203282689 /nfs/dbraw/zinc/28/26/89/203282689.db2.gz PMAHIBJLEUUTQW-SNVBAGLBSA-N 1 2 247.701 0.943 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1cncc(C)n1 ZINC000402613149 369387746 /nfs/dbraw/zinc/38/77/46/369387746.db2.gz QFNWOQVCUMGEFH-GFCCVEGCSA-N 1 2 249.314 0.965 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCc1cncc(C)n1 ZINC000402613149 369387749 /nfs/dbraw/zinc/38/77/49/369387749.db2.gz QFNWOQVCUMGEFH-GFCCVEGCSA-N 1 2 249.314 0.965 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000400282368 369346947 /nfs/dbraw/zinc/34/69/47/369346947.db2.gz JUAJYNSBLQYNJH-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)[C@H](CC)C1 ZINC000400282368 369346949 /nfs/dbraw/zinc/34/69/49/369346949.db2.gz JUAJYNSBLQYNJH-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2n[nH]cc2C)C1 ZINC000459601961 203313613 /nfs/dbraw/zinc/31/36/13/203313613.db2.gz DAEGSYYYYUQYQK-UHFFFAOYSA-N 1 2 222.292 0.286 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2[nH]ncc2C)C1 ZINC000459601961 203313614 /nfs/dbraw/zinc/31/36/14/203313614.db2.gz DAEGSYYYYUQYQK-UHFFFAOYSA-N 1 2 222.292 0.286 20 0 BCADLO CC[C@](COC)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000459553919 203297940 /nfs/dbraw/zinc/29/79/40/203297940.db2.gz CIYSTFNENRZJAR-GFCCVEGCSA-N 1 2 247.335 0.705 20 0 BCADLO CC(=O)NC1C[NH+](C/C=C\c2ccncc2)C1 ZINC000459553116 203298831 /nfs/dbraw/zinc/29/88/31/203298831.db2.gz DFDMZXRELWTJEA-IHWYPQMZSA-N 1 2 231.299 0.915 20 0 BCADLO CCOC1CN(Cc2[nH+]cc(C)n2C)C1 ZINC000459613795 203316191 /nfs/dbraw/zinc/31/61/91/203316191.db2.gz VYQAGXZESDLPLJ-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCOC1 ZINC000619513103 369455939 /nfs/dbraw/zinc/45/59/39/369455939.db2.gz FMLPFKFZPHDBPM-GUBZILKMSA-N 1 2 231.267 0.608 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCOC1 ZINC000619513103 369455943 /nfs/dbraw/zinc/45/59/43/369455943.db2.gz FMLPFKFZPHDBPM-GUBZILKMSA-N 1 2 231.267 0.608 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](C)CO ZINC000619514453 369456239 /nfs/dbraw/zinc/45/62/39/369456239.db2.gz HWJZJUKAXBAACG-VGMNWLOBSA-N 1 2 219.256 0.200 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](C)CO ZINC000619514453 369456242 /nfs/dbraw/zinc/45/62/42/369456242.db2.gz HWJZJUKAXBAACG-VGMNWLOBSA-N 1 2 219.256 0.200 20 0 BCADLO O=C(Cn1cccn1)NCCCCn1cc[nH+]c1 ZINC000060407724 369480008 /nfs/dbraw/zinc/48/00/08/369480008.db2.gz LIFOABSRDBNZAR-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000622510465 370972340 /nfs/dbraw/zinc/97/23/40/370972340.db2.gz DWRHIOXPLVQNAW-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H](O)C1CCC1 ZINC000622503428 370967691 /nfs/dbraw/zinc/96/76/91/370967691.db2.gz AKGFMFQPWWYJSJ-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]1C ZINC000619661367 369513331 /nfs/dbraw/zinc/51/33/31/369513331.db2.gz XJUQUVZBWUVTPM-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC2(C)C)C1 ZINC000620076981 369711962 /nfs/dbraw/zinc/71/19/62/369711962.db2.gz BLWQXSBBVZGBCC-BXKDBHETSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC2(C)C)C1 ZINC000620076981 369711965 /nfs/dbraw/zinc/71/19/65/369711965.db2.gz BLWQXSBBVZGBCC-BXKDBHETSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000620060463 369692703 /nfs/dbraw/zinc/69/27/03/369692703.db2.gz HHMORGAGGIPJQM-OPRDCNLKSA-N 1 2 249.314 0.553 20 0 BCADLO COCCCNC(=O)CCCn1cc[nH+]c1 ZINC000620411855 369867454 /nfs/dbraw/zinc/86/74/54/369867454.db2.gz YRMLFSVPJWHXAH-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO Cn1nccc1CNC(=O)CCCn1cc[nH+]c1 ZINC000620500117 369896658 /nfs/dbraw/zinc/89/66/58/369896658.db2.gz OAGJSZPRHGHOKF-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO C[C@@H](NC(=O)C1CC(C)(O)C1)c1[nH+]ccn1C ZINC000620607294 369955872 /nfs/dbraw/zinc/95/58/72/369955872.db2.gz GPBHHBIBKATLFD-YDNLMGDJSA-N 1 2 237.303 0.758 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606723 369955907 /nfs/dbraw/zinc/95/59/07/369955907.db2.gz ZGFQIGJSTQVPRE-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H](NC(=O)[C@@](C)(O)C1CC1)c1[nH+]ccn1C ZINC000620610068 369956046 /nfs/dbraw/zinc/95/60/46/369956046.db2.gz VEDCUYYSIWGCCA-PELKAZGASA-N 1 2 237.303 0.758 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000620550432 369916741 /nfs/dbraw/zinc/91/67/41/369916741.db2.gz VCEWZZFMSKHYEG-PELKAZGASA-N 1 2 237.303 0.981 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000620557497 369921505 /nfs/dbraw/zinc/92/15/05/369921505.db2.gz HHQUJMZVTZXNPX-KOLCDFICSA-N 1 2 223.276 0.567 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)nn1C ZINC000620594712 369946130 /nfs/dbraw/zinc/94/61/30/369946130.db2.gz DFUGTMQPCBJNBX-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCOC1)c1[nH+]ccn1C ZINC000620594600 369946818 /nfs/dbraw/zinc/94/68/18/369946818.db2.gz GQINJGCIVNNCKE-BDAKNGLRSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCF ZINC000621083664 370093323 /nfs/dbraw/zinc/09/33/23/370093323.db2.gz GXXQNCPGOMZBCL-VIFPVBQESA-N 1 2 243.282 0.691 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCF ZINC000621083664 370093329 /nfs/dbraw/zinc/09/33/29/370093329.db2.gz GXXQNCPGOMZBCL-VIFPVBQESA-N 1 2 243.282 0.691 20 0 BCADLO Cc1[nH]c(C(=O)NCCOCCF)c[nH+]1 ZINC000621089297 370097388 /nfs/dbraw/zinc/09/73/88/370097388.db2.gz BAXAQNNKSSWMAX-UHFFFAOYSA-N 1 2 215.228 0.434 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccsc1 ZINC000621244262 370177659 /nfs/dbraw/zinc/17/76/59/370177659.db2.gz HOMFKFQEYHQAJS-UHFFFAOYSA-N 1 2 248.373 0.729 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccsc1 ZINC000621244262 370177661 /nfs/dbraw/zinc/17/76/61/370177661.db2.gz HOMFKFQEYHQAJS-UHFFFAOYSA-N 1 2 248.373 0.729 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1cccnc1 ZINC000621270043 370200865 /nfs/dbraw/zinc/20/08/65/370200865.db2.gz MWSUAZJLBJYIOE-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000621270043 370200867 /nfs/dbraw/zinc/20/08/67/370200867.db2.gz MWSUAZJLBJYIOE-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621364766 370299481 /nfs/dbraw/zinc/29/94/81/370299481.db2.gz KPQMCEBMAFSPNP-WCBMZHEXSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621364766 370299485 /nfs/dbraw/zinc/29/94/85/370299485.db2.gz KPQMCEBMAFSPNP-WCBMZHEXSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621364765 370299512 /nfs/dbraw/zinc/29/95/12/370299512.db2.gz KPQMCEBMAFSPNP-SCZZXKLOSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621364765 370299519 /nfs/dbraw/zinc/29/95/19/370299519.db2.gz KPQMCEBMAFSPNP-SCZZXKLOSA-N 1 2 225.292 0.828 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)[nH]1 ZINC000621371441 370308076 /nfs/dbraw/zinc/30/80/76/370308076.db2.gz DGABMVOIOZLZDK-VHSXEESVSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)[nH]1 ZINC000621371441 370308080 /nfs/dbraw/zinc/30/80/80/370308080.db2.gz DGABMVOIOZLZDK-VHSXEESVSA-N 1 2 238.335 0.817 20 0 BCADLO CC(C)(C(=O)NCCn1cc[nH+]c1)c1c[nH]cn1 ZINC000621565673 370389200 /nfs/dbraw/zinc/38/92/00/370389200.db2.gz GCRHZHGBVDYRAO-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N(CC)CC ZINC000077377329 370413427 /nfs/dbraw/zinc/41/34/27/370413427.db2.gz VOXCPXNXTNIJPY-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(CC)CC ZINC000077377329 370413430 /nfs/dbraw/zinc/41/34/30/370413430.db2.gz VOXCPXNXTNIJPY-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCC ZINC000077377241 370414566 /nfs/dbraw/zinc/41/45/66/370414566.db2.gz OLRAKILYTCDZQF-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCC ZINC000077377241 370414572 /nfs/dbraw/zinc/41/45/72/370414572.db2.gz OLRAKILYTCDZQF-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO Cc1nccnc1C[N@@H+](C)CC(=O)NC(C)C ZINC000621709940 370455885 /nfs/dbraw/zinc/45/58/85/370455885.db2.gz LVFVEOYMCQXCSH-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1nccnc1C[N@H+](C)CC(=O)NC(C)C ZINC000621709940 370455891 /nfs/dbraw/zinc/45/58/91/370455891.db2.gz LVFVEOYMCQXCSH-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1nccnc1C ZINC000621712736 370459522 /nfs/dbraw/zinc/45/95/22/370459522.db2.gz MZNICYZTFBOZRC-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1nccnc1C ZINC000621712736 370459523 /nfs/dbraw/zinc/45/95/23/370459523.db2.gz MZNICYZTFBOZRC-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1nccnc1C ZINC000621718318 370467600 /nfs/dbraw/zinc/46/76/00/370467600.db2.gz DEOBJIZDFLURTH-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1nccnc1C ZINC000621718318 370467604 /nfs/dbraw/zinc/46/76/04/370467604.db2.gz DEOBJIZDFLURTH-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000621723036 370475863 /nfs/dbraw/zinc/47/58/63/370475863.db2.gz RVSNVCAUVLXMGH-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000621723036 370475865 /nfs/dbraw/zinc/47/58/65/370475865.db2.gz RVSNVCAUVLXMGH-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cn[nH]c2C)C1 ZINC000621772469 370515715 /nfs/dbraw/zinc/51/57/15/370515715.db2.gz DLJNAIPGJLGTQE-LDYMZIIASA-N 1 2 236.319 0.990 20 0 BCADLO CCOc1cncc(C[N@H+](C)CC(=O)NC)c1 ZINC000621732552 370486875 /nfs/dbraw/zinc/48/68/75/370486875.db2.gz GJTJPEBLSDFUIH-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCOc1cncc(C[N@@H+](C)CC(=O)NC)c1 ZINC000621732552 370486880 /nfs/dbraw/zinc/48/68/80/370486880.db2.gz GJTJPEBLSDFUIH-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO Cc1nccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000114338687 370554289 /nfs/dbraw/zinc/55/42/89/370554289.db2.gz LEHTTYMGASTWGJ-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO C[C@@H](CCO)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621923669 370601861 /nfs/dbraw/zinc/60/18/61/370601861.db2.gz UCEPNYTWSGYTRB-VIFPVBQESA-N 1 2 239.319 0.822 20 0 BCADLO COCCCN(C)c1[nH+]cnc2c1cnn2C ZINC000066372097 370573362 /nfs/dbraw/zinc/57/33/62/370573362.db2.gz ZJYXFYZJEBKPQK-UHFFFAOYSA-N 1 2 235.291 0.836 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)[nH]1 ZINC000621877102 370575448 /nfs/dbraw/zinc/57/54/48/370575448.db2.gz RVTHIEQYMJBFIL-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO Cc1nnc(NCCc2cn(C)c[nH+]2)nc1C ZINC000313449050 370586759 /nfs/dbraw/zinc/58/67/59/370586759.db2.gz XDBKAHFQRVOZPX-UHFFFAOYSA-N 1 2 232.291 0.877 20 0 BCADLO CC1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000622557276 370995225 /nfs/dbraw/zinc/99/52/25/370995225.db2.gz AFABAWISWQWYRE-LLVKDONJSA-N 1 2 236.319 0.501 20 0 BCADLO C[C@H](O)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622684086 371060863 /nfs/dbraw/zinc/06/08/63/371060863.db2.gz SGWMSELCCQEERV-LURJTMIESA-N 1 2 229.305 0.524 20 0 BCADLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)O)n1 ZINC000622683773 371061365 /nfs/dbraw/zinc/06/13/65/371061365.db2.gz DEQAANITSYQPKS-UHFFFAOYSA-N 1 2 243.332 0.914 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CCn2cccn2)c1 ZINC000622685818 371062555 /nfs/dbraw/zinc/06/25/55/371062555.db2.gz LPBXHLFQWBWFEF-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO CCn1cc(C(=O)NCCc2cn(C)c[nH+]2)cn1 ZINC000622685810 371062790 /nfs/dbraw/zinc/06/27/90/371062790.db2.gz LJMOOATXXOTFLZ-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO CCOCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000622686029 371064211 /nfs/dbraw/zinc/06/42/11/371064211.db2.gz WQCCJJXDONXTLG-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO Cn1cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000623841636 371122560 /nfs/dbraw/zinc/12/25/60/371122560.db2.gz XPZWEDOBWNNXIU-NSHDSACASA-N 1 2 249.318 0.058 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)c1ncn(C)n1 ZINC000392069480 371357815 /nfs/dbraw/zinc/35/78/15/371357815.db2.gz PNFYNUSPASTFGK-ZCFIWIBFSA-N 1 2 249.278 0.369 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)c1ncn(C)n1 ZINC000392069480 371357816 /nfs/dbraw/zinc/35/78/16/371357816.db2.gz PNFYNUSPASTFGK-ZCFIWIBFSA-N 1 2 249.278 0.369 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](CC(N)=O)C1 ZINC000624225999 371413862 /nfs/dbraw/zinc/41/38/62/371413862.db2.gz HJCDBLYHPVGCKG-SECBINFHSA-N 1 2 235.287 0.792 20 0 BCADLO COCc1n[nH]c(CNc2[nH+]cccc2OC)n1 ZINC000624394188 371499452 /nfs/dbraw/zinc/49/94/52/371499452.db2.gz XDEHJVLNXLJNGH-UHFFFAOYSA-N 1 2 249.274 0.967 20 0 BCADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)n1cccn1 ZINC000627366493 371585124 /nfs/dbraw/zinc/58/51/24/371585124.db2.gz SQZUPIDWWJEMBD-VIFPVBQESA-N 1 2 245.286 0.752 20 0 BCADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)n1cccn1 ZINC000627366493 371585128 /nfs/dbraw/zinc/58/51/28/371585128.db2.gz SQZUPIDWWJEMBD-VIFPVBQESA-N 1 2 245.286 0.752 20 0 BCADLO Cc1cnn(CC(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000627366147 371585362 /nfs/dbraw/zinc/58/53/62/371585362.db2.gz JIQSEGKUBBFTFO-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO Cc1cnn(CC(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000627366147 371585367 /nfs/dbraw/zinc/58/53/67/371585367.db2.gz JIQSEGKUBBFTFO-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000627373267 371591501 /nfs/dbraw/zinc/59/15/01/371591501.db2.gz MGHUMNXNWXZXMN-LDYMZIIASA-N 1 2 235.287 0.862 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000627373267 371591509 /nfs/dbraw/zinc/59/15/09/371591509.db2.gz MGHUMNXNWXZXMN-LDYMZIIASA-N 1 2 235.287 0.862 20 0 BCADLO Cc1nc(N2C[C@@H](C)O[C@@H](CO)C2)cc[nH+]1 ZINC000230007618 371632261 /nfs/dbraw/zinc/63/22/61/371632261.db2.gz VNNMAEAMSSQLHH-PSASIEDQSA-N 1 2 223.276 0.371 20 0 BCADLO CO[C@H]1C[NH+](Cc2nc(C)no2)C[C@@H]1OC ZINC000351647976 371651885 /nfs/dbraw/zinc/65/18/85/371651885.db2.gz JXZWLXYNNPFSDM-IUCAKERBSA-N 1 2 227.264 0.224 20 0 BCADLO COC(=O)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000351673829 371653921 /nfs/dbraw/zinc/65/39/21/371653921.db2.gz MBSHETACWIPHAO-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO COC(=O)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000351673829 371653927 /nfs/dbraw/zinc/65/39/27/371653927.db2.gz MBSHETACWIPHAO-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000336065560 259549443 /nfs/dbraw/zinc/54/94/43/259549443.db2.gz ISOIROPIMXDOHL-GHMZBOCLSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000336065560 259549444 /nfs/dbraw/zinc/54/94/44/259549444.db2.gz ISOIROPIMXDOHL-GHMZBOCLSA-N 1 2 236.271 0.435 20 0 BCADLO C(=C/C[NH+]1CCOCC1)\CN1CCOCC1 ZINC000031719403 372095885 /nfs/dbraw/zinc/09/58/85/372095885.db2.gz IHTDQZRNRVUDBN-OWOJBTEDSA-N 1 2 226.320 0.207 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)Nc1cc[nH+]cc1C ZINC000631139343 372206643 /nfs/dbraw/zinc/20/66/43/372206643.db2.gz FZGPHBQNNQRZKA-JTQLQIEISA-N 1 2 235.287 0.665 20 0 BCADLO Cc1noc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000631314282 372290245 /nfs/dbraw/zinc/29/02/45/372290245.db2.gz HWHCKQLRVDJDTC-UHFFFAOYSA-N 1 2 221.220 0.005 20 0 BCADLO CCc1cc(N[C@H]2C(=O)NCC2(C)C)nc[nH+]1 ZINC000631370039 372319157 /nfs/dbraw/zinc/31/91/57/372319157.db2.gz WRPSYYNWYFBYKA-JTQLQIEISA-N 1 2 234.303 0.976 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2C[C@@H](CO)C2)c1Cl ZINC000631428491 372359313 /nfs/dbraw/zinc/35/93/13/372359313.db2.gz YOCFECBUFCCOGK-OLQVQODUSA-N 1 2 228.683 0.895 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2C[C@@H](CO)C2)c1Cl ZINC000631428491 372359316 /nfs/dbraw/zinc/35/93/16/372359316.db2.gz YOCFECBUFCCOGK-OLQVQODUSA-N 1 2 228.683 0.895 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)N1CC[NH+](C)CC1 ZINC000140082016 372450075 /nfs/dbraw/zinc/45/00/75/372450075.db2.gz REDFHZFTJNVKIO-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO COC(=O)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000171301277 372532329 /nfs/dbraw/zinc/53/23/29/372532329.db2.gz LCGXXPJQGFCGMD-QMMMGPOBSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000171301277 372532333 /nfs/dbraw/zinc/53/23/33/372532333.db2.gz LCGXXPJQGFCGMD-QMMMGPOBSA-N 1 2 229.276 0.433 20 0 BCADLO COCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000171377813 372563203 /nfs/dbraw/zinc/56/32/03/372563203.db2.gz HSRIZLGBAAFYLL-UHFFFAOYSA-N 1 2 237.303 0.800 20 0 BCADLO C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143675 372780564 /nfs/dbraw/zinc/78/05/64/372780564.db2.gz ZNJIKCWWVXEVRG-SFYZADRCSA-N 1 2 245.304 0.007 20 0 BCADLO CC(C)NC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000632198369 372801662 /nfs/dbraw/zinc/80/16/62/372801662.db2.gz BWAVXUQYACUBLH-UHFFFAOYSA-N 1 2 208.265 0.858 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)NC ZINC000632405111 372919314 /nfs/dbraw/zinc/91/93/14/372919314.db2.gz JGXGWRYLNYKTNC-ZETCQYMHSA-N 1 2 232.309 0.018 20 0 BCADLO O=C(C[C@H]1CCCCO1)NCCn1cc[nH+]c1 ZINC000153766616 182027584 /nfs/dbraw/zinc/02/75/84/182027584.db2.gz VELDLZCTWFRZOK-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO CCN(CC)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578142 373015498 /nfs/dbraw/zinc/01/54/98/373015498.db2.gz OAXAXCHSTDBFJE-JTQLQIEISA-N 1 2 229.324 0.057 20 0 BCADLO CCN(CC)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578142 373015504 /nfs/dbraw/zinc/01/55/04/373015504.db2.gz OAXAXCHSTDBFJE-JTQLQIEISA-N 1 2 229.324 0.057 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000041391541 182070405 /nfs/dbraw/zinc/07/04/05/182070405.db2.gz MHLUKYVJFSZUIK-VIFPVBQESA-N 1 2 209.249 0.178 20 0 BCADLO O=C(N1CCn2c[nH+]cc2C1)C1(O)CCCC1 ZINC000336019934 182083795 /nfs/dbraw/zinc/08/37/95/182083795.db2.gz URFXRNQZSGFNLV-UHFFFAOYSA-N 1 2 235.287 0.530 20 0 BCADLO O=C(N1CCn2c[nH+]cc2C1)C1(O)CCCCC1 ZINC000291847931 182083432 /nfs/dbraw/zinc/08/34/32/182083432.db2.gz HKEGLLRRGHTZAP-UHFFFAOYSA-N 1 2 249.314 0.921 20 0 BCADLO COCC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632962763 373234008 /nfs/dbraw/zinc/23/40/08/373234008.db2.gz NHSKBRGUHQQWPZ-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CO[C@@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632985554 373243395 /nfs/dbraw/zinc/24/33/95/373243395.db2.gz LKXQUUIKAIZTIB-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CSC1 ZINC000633017248 373253278 /nfs/dbraw/zinc/25/32/78/373253278.db2.gz TUXZQZFKMJKPIZ-SECBINFHSA-N 1 2 237.328 0.677 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000245382335 373265915 /nfs/dbraw/zinc/26/59/15/373265915.db2.gz IOZZCYHLUCKTDZ-ZJUUUORDSA-N 1 2 241.335 0.241 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000245382335 373265922 /nfs/dbraw/zinc/26/59/22/373265922.db2.gz IOZZCYHLUCKTDZ-ZJUUUORDSA-N 1 2 241.335 0.241 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC(C)(C)O ZINC000633176095 373324163 /nfs/dbraw/zinc/32/41/63/373324163.db2.gz ODCOWSYZFORAAG-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633250119 373410592 /nfs/dbraw/zinc/41/05/92/373410592.db2.gz HMLTYDMVKIEYAD-RKDXNWHRSA-N 1 2 240.307 0.975 20 0 BCADLO CC[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)OC ZINC000633252810 373411966 /nfs/dbraw/zinc/41/19/66/373411966.db2.gz SVDCXUKDSSXYQC-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000177160590 205606118 /nfs/dbraw/zinc/60/61/18/205606118.db2.gz GJFVSNBGSCXJGU-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H]1C[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000633335430 373481971 /nfs/dbraw/zinc/48/19/71/373481971.db2.gz YCJAZOZGDMQZQA-IUCAKERBSA-N 1 2 238.291 0.729 20 0 BCADLO Cc1nnccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000633393636 373520794 /nfs/dbraw/zinc/52/07/94/373520794.db2.gz SJPZXTKXZUPERG-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO Cc1cc(CNC(=O)Cc2nc[nH]n2)cc(C)[nH+]1 ZINC000633454002 373560012 /nfs/dbraw/zinc/56/00/12/373560012.db2.gz HIPXNGQTOZZREY-UHFFFAOYSA-N 1 2 245.286 0.675 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1c[nH]c(=O)n1C ZINC000633602228 373620497 /nfs/dbraw/zinc/62/04/97/373620497.db2.gz NAXHDMLJBXGTSM-UHFFFAOYSA-N 1 2 235.247 0.121 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1c[nH]c(=O)n1C ZINC000633602228 373620505 /nfs/dbraw/zinc/62/05/05/373620505.db2.gz NAXHDMLJBXGTSM-UHFFFAOYSA-N 1 2 235.247 0.121 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)F ZINC000633721202 373709852 /nfs/dbraw/zinc/70/98/52/373709852.db2.gz ZBIIDHWPDFVTEI-UHFFFAOYSA-N 1 2 213.256 0.827 20 0 BCADLO O=C(N1C[C@@H]2C[C@@H]2C1)C1([NH+]2CCOCC2)CC1 ZINC000633672643 373675434 /nfs/dbraw/zinc/67/54/34/373675434.db2.gz QKJLXQCURRXLKV-PHIMTYICSA-N 1 2 236.315 0.330 20 0 BCADLO O=C(NCCCF)C1([NH+]2CCOCC2)CCC1 ZINC000376268434 182165201 /nfs/dbraw/zinc/16/52/01/182165201.db2.gz VPGTZLLGESAWGX-UHFFFAOYSA-N 1 2 244.310 0.717 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000633824794 373775339 /nfs/dbraw/zinc/77/53/39/373775339.db2.gz JVHFESLSQBKYPQ-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO CCC[C@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000633825001 373775350 /nfs/dbraw/zinc/77/53/50/373775350.db2.gz OWOGGKKLOKWFET-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO O=C(NCCF)C1([NH+]2CCOCC2)CCC1 ZINC000373838803 182178595 /nfs/dbraw/zinc/17/85/95/182178595.db2.gz HLFVKBMRXYAGBY-UHFFFAOYSA-N 1 2 230.283 0.327 20 0 BCADLO O=C(NCCF)C1([NH+]2CCOCC2)CCCC1 ZINC000370465531 182178733 /nfs/dbraw/zinc/17/87/33/182178733.db2.gz YSCBAGCGIAASOL-UHFFFAOYSA-N 1 2 244.310 0.717 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000171288490 182179392 /nfs/dbraw/zinc/17/93/92/182179392.db2.gz JLTRIEYREAJVRG-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO COc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000633907949 373841705 /nfs/dbraw/zinc/84/17/05/373841705.db2.gz GXWDXJCSJFEKAU-ZCFIWIBFSA-N 1 2 242.304 0.579 20 0 BCADLO COc1nnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000633907949 373841711 /nfs/dbraw/zinc/84/17/11/373841711.db2.gz GXWDXJCSJFEKAU-ZCFIWIBFSA-N 1 2 242.304 0.579 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]23C[C@@H]2CCCC3)C1 ZINC000634082741 373947648 /nfs/dbraw/zinc/94/76/48/373947648.db2.gz AVUKOEOZNCQKOP-GVXVVHGQSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]23C[C@@H]2CCCC3)C1 ZINC000634082741 373947652 /nfs/dbraw/zinc/94/76/52/373947652.db2.gz AVUKOEOZNCQKOP-GVXVVHGQSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1=COCCC1 ZINC000107434496 182214683 /nfs/dbraw/zinc/21/46/83/182214683.db2.gz ZQUWZGWPUCQSRE-UHFFFAOYSA-N 1 2 221.260 0.694 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NOC/C=C/Cl ZINC000290697505 182215022 /nfs/dbraw/zinc/21/50/22/182215022.db2.gz RUFALIWYHVQGBZ-OWOJBTEDSA-N 1 2 244.682 0.866 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1(C)COC1)CC2 ZINC000634192705 374013407 /nfs/dbraw/zinc/01/34/07/374013407.db2.gz QFWSIFLBNKXLTL-SNVBAGLBSA-N 1 2 249.314 0.659 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnns1 ZINC000128720990 182212337 /nfs/dbraw/zinc/21/23/37/182212337.db2.gz FXICMHVKORQKSJ-UHFFFAOYSA-N 1 2 223.261 0.234 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@]12CCOC2 ZINC000373405201 182216202 /nfs/dbraw/zinc/21/62/02/182216202.db2.gz DYRJBZBDSLQLQQ-PWSUYJOCSA-N 1 2 235.287 0.426 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H]1C(F)F ZINC000337743647 182216359 /nfs/dbraw/zinc/21/63/59/182216359.db2.gz FEOFNGFCGROKLZ-YUMQZZPRSA-N 1 2 229.230 0.901 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1n[nH]c2c1CCC2 ZINC000298594720 182216813 /nfs/dbraw/zinc/21/68/13/182216813.db2.gz YVOUOVMCRBRDFY-UHFFFAOYSA-N 1 2 245.286 0.525 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cncnc1 ZINC000354507453 182217571 /nfs/dbraw/zinc/21/75/71/182217571.db2.gz URRKAPOZBPYIGH-UHFFFAOYSA-N 1 2 217.232 0.103 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372742073 182219878 /nfs/dbraw/zinc/21/98/78/182219878.db2.gz PDTREUZWMOBQMW-GHMZBOCLSA-N 1 2 249.314 0.333 20 0 BCADLO O=C(NC1COC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000634258222 374067488 /nfs/dbraw/zinc/06/74/88/374067488.db2.gz HCWVKUVGZTVYEG-ZETCQYMHSA-N 1 2 221.260 0.030 20 0 BCADLO O=C(NC1COC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000634258222 374067494 /nfs/dbraw/zinc/06/74/94/374067494.db2.gz HCWVKUVGZTVYEG-ZETCQYMHSA-N 1 2 221.260 0.030 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(N)CC1(F)F ZINC000634276214 374088184 /nfs/dbraw/zinc/08/81/84/374088184.db2.gz MDSBZSILVRFUMV-VIFPVBQESA-N 1 2 227.214 0.487 20 0 BCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(F)F ZINC000365501475 182228733 /nfs/dbraw/zinc/22/87/33/182228733.db2.gz ARHKHLZURUJJBW-MRVPVSSYSA-N 1 2 234.246 0.231 20 0 BCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C(F)F ZINC000365501475 182228737 /nfs/dbraw/zinc/22/87/37/182228737.db2.gz ARHKHLZURUJJBW-MRVPVSSYSA-N 1 2 234.246 0.231 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H](O)C1CCCCC1 ZINC000331242375 182273977 /nfs/dbraw/zinc/27/39/77/182273977.db2.gz PHJCKLKCXHAKDE-LLVKDONJSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccnc2n[nH]nc21 ZINC000339268823 182274397 /nfs/dbraw/zinc/27/43/97/182274397.db2.gz GIHZLDWMOUKJRM-UHFFFAOYSA-N 1 2 243.230 0.006 20 0 BCADLO O=C(NCc1ccoc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375409083 182266517 /nfs/dbraw/zinc/26/65/17/182266517.db2.gz PGJBKSCZUPFTGR-QMMMGPOBSA-N 1 2 230.214 0.893 20 0 BCADLO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375410185 182292393 /nfs/dbraw/zinc/29/23/93/182292393.db2.gz FNBZZJLSZJJZFB-HLTSFMKQSA-N 1 2 248.273 0.403 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364932050 182294937 /nfs/dbraw/zinc/29/49/37/182294937.db2.gz HORRMRJBTVIVRG-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO OCc1nnc2n1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000426426561 206047810 /nfs/dbraw/zinc/04/78/10/206047810.db2.gz IIVRTYANTYTQEV-SNVBAGLBSA-N 1 2 234.303 0.695 20 0 BCADLO OCc1nnc2n1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000426426561 206047814 /nfs/dbraw/zinc/04/78/14/206047814.db2.gz IIVRTYANTYTQEV-SNVBAGLBSA-N 1 2 234.303 0.695 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428239357 206055486 /nfs/dbraw/zinc/05/54/86/206055486.db2.gz GKZAARMESBSEDH-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428239357 206055490 /nfs/dbraw/zinc/05/54/90/206055490.db2.gz GKZAARMESBSEDH-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC000428230891 206056955 /nfs/dbraw/zinc/05/69/55/206056955.db2.gz IJLNLBBSLMWADK-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC000428230891 206056956 /nfs/dbraw/zinc/05/69/56/206056956.db2.gz IJLNLBBSLMWADK-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000428234996 206057448 /nfs/dbraw/zinc/05/74/48/206057448.db2.gz FUMKHOOZPPZHSI-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000428234996 206057449 /nfs/dbraw/zinc/05/74/49/206057449.db2.gz FUMKHOOZPPZHSI-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO COCC[N@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428225592 206057645 /nfs/dbraw/zinc/05/76/45/206057645.db2.gz FKOXHXSQIRWIEX-UHFFFAOYSA-N 1 2 242.323 0.369 20 0 BCADLO COCC[N@@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428225592 206057651 /nfs/dbraw/zinc/05/76/51/206057651.db2.gz FKOXHXSQIRWIEX-UHFFFAOYSA-N 1 2 242.323 0.369 20 0 BCADLO CCC[N@H+](CCO)Cc1ncnn1CCF ZINC000440698405 206079653 /nfs/dbraw/zinc/07/96/53/206079653.db2.gz YMVSYOXOQZGZKB-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO CCC[N@@H+](CCO)Cc1ncnn1CCF ZINC000440698405 206079657 /nfs/dbraw/zinc/07/96/57/206079657.db2.gz YMVSYOXOQZGZKB-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO C[N@@H+]1CC[C@H](CSc2n[nH]c(=O)[nH]2)C1 ZINC000194629040 206101486 /nfs/dbraw/zinc/10/14/86/206101486.db2.gz KHJZNDFAYBFHHB-LURJTMIESA-N 1 2 214.294 0.554 20 0 BCADLO C[N@H+]1CC[C@H](CSc2n[nH]c(=O)[nH]2)C1 ZINC000194629040 206101490 /nfs/dbraw/zinc/10/14/90/206101490.db2.gz KHJZNDFAYBFHHB-LURJTMIESA-N 1 2 214.294 0.554 20 0 BCADLO CC[N@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000459467361 206128470 /nfs/dbraw/zinc/12/84/70/206128470.db2.gz RTBZIQVXGUTOCA-DTORHVGOSA-N 1 2 239.323 0.425 20 0 BCADLO CC[N@@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000459467361 206128474 /nfs/dbraw/zinc/12/84/74/206128474.db2.gz RTBZIQVXGUTOCA-DTORHVGOSA-N 1 2 239.323 0.425 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCOC1 ZINC000332871121 182341902 /nfs/dbraw/zinc/34/19/02/182341902.db2.gz WKEGQIVCHSHVDN-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCOC1 ZINC000332871121 182341905 /nfs/dbraw/zinc/34/19/05/182341905.db2.gz WKEGQIVCHSHVDN-UWVGGRQHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(Nc1ccc(F)c(F)c1)[C@H]1COCC[NH2+]1 ZINC000088357720 182354987 /nfs/dbraw/zinc/35/49/87/182354987.db2.gz RGRIPKQIDREZLZ-SNVBAGLBSA-N 1 2 242.225 0.892 20 0 BCADLO COC(=O)COC[C@H](C)[NH2+]CC(F)F ZINC000459546648 206132787 /nfs/dbraw/zinc/13/27/87/206132787.db2.gz NJNWIIOWCDVODJ-LURJTMIESA-N 1 2 211.208 0.419 20 0 BCADLO COCCn1cc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000459578580 206134988 /nfs/dbraw/zinc/13/49/88/206134988.db2.gz HUVKWRUQRNPCFH-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO O=C(Nc1ccc(F)cn1)[C@@H]1CSC[NH2+]1 ZINC000083853137 182358559 /nfs/dbraw/zinc/35/85/59/182358559.db2.gz WOUCPOHKOMBVPG-ZETCQYMHSA-N 1 2 227.264 0.822 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnc(C)nc1 ZINC000339059922 170057515 /nfs/dbraw/zinc/05/75/15/170057515.db2.gz CDKLUSQEHLESCB-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO O=C(Nc1ccccc1O)[C@@H]1CSC[NH2+]1 ZINC000070203940 182381238 /nfs/dbraw/zinc/38/12/38/182381238.db2.gz IJOJXUIEGPXIBJ-QMMMGPOBSA-N 1 2 224.285 0.993 20 0 BCADLO O=C(Nc1ccccn1)[C@@H]1COCC[NH2+]1 ZINC000083871929 182382038 /nfs/dbraw/zinc/38/20/38/182382038.db2.gz LGCNVBRSHQAVRD-QMMMGPOBSA-N 1 2 207.233 0.009 20 0 BCADLO O=C(Nc1cccnc1)[C@H]1COCC[NH2+]1 ZINC000083871961 182384181 /nfs/dbraw/zinc/38/41/81/182384181.db2.gz RNNDQSZPARZYJW-SECBINFHSA-N 1 2 207.233 0.009 20 0 BCADLO O=C(Nc1ccncc1)[C@H]1CSC[NH2+]1 ZINC000019430859 182386300 /nfs/dbraw/zinc/38/63/00/182386300.db2.gz ILQMIRBCPCKQDZ-MRVPVSSYSA-N 1 2 209.274 0.683 20 0 BCADLO O=C(Nc1cncnc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000170017072 182394760 /nfs/dbraw/zinc/39/47/60/182394760.db2.gz VCLHDXDRVICOTI-VIFPVBQESA-N 1 2 243.270 0.874 20 0 BCADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)OC ZINC000336745615 170248936 /nfs/dbraw/zinc/24/89/36/170248936.db2.gz APYAVDKOELSRFQ-YUMQZZPRSA-N 1 2 217.265 0.337 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000091864405 182811973 /nfs/dbraw/zinc/81/19/73/182811973.db2.gz GRYZUJAHNGVIIA-SECBINFHSA-N 1 2 221.260 0.489 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000091864405 182811975 /nfs/dbraw/zinc/81/19/75/182811975.db2.gz GRYZUJAHNGVIIA-SECBINFHSA-N 1 2 221.260 0.489 20 0 BCADLO O=C1O[C@H](C[N@@H+]2CCO[C@H]3C[C@H]32)CC12CC2 ZINC000368334700 182835976 /nfs/dbraw/zinc/83/59/76/182835976.db2.gz XAMQRGXUMAUUTH-AEJSXWLSSA-N 1 2 223.272 0.555 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCO[C@H]3C[C@H]32)CC12CC2 ZINC000368334700 182835977 /nfs/dbraw/zinc/83/59/77/182835977.db2.gz XAMQRGXUMAUUTH-AEJSXWLSSA-N 1 2 223.272 0.555 20 0 BCADLO CCOC(C[N@H+]1CCO[C@H]2C[C@H]21)OCC ZINC000367843036 170316129 /nfs/dbraw/zinc/31/61/29/170316129.db2.gz ZRRWEADTMSUTRF-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CCC(C)(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178724014 134310537 /nfs/dbraw/zinc/31/05/37/134310537.db2.gz JZIBGVPCZKIGQB-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO CC[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178727076 134311032 /nfs/dbraw/zinc/31/10/32/134311032.db2.gz MAXYTBUNQLSUED-QWRGUYRKSA-N 1 2 225.336 0.149 20 0 BCADLO O=c1n(CCCn2cc[nH+]c2)nc2ccccn21 ZINC000169067603 183008256 /nfs/dbraw/zinc/00/82/56/183008256.db2.gz LLJMITLTJCXCCW-UHFFFAOYSA-N 1 2 243.270 0.783 20 0 BCADLO O=c1nc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)[nH][nH]1 ZINC000289356430 183009986 /nfs/dbraw/zinc/00/99/86/183009986.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)[nH][nH]1 ZINC000289356430 183009990 /nfs/dbraw/zinc/00/99/90/183009990.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)[nH][nH]1 ZINC000289356430 183009992 /nfs/dbraw/zinc/00/99/92/183009992.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)[nH][nH]1 ZINC000289356430 183009995 /nfs/dbraw/zinc/00/99/95/183009995.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO OCC1CN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000192180148 183041619 /nfs/dbraw/zinc/04/16/19/183041619.db2.gz JUZWSDMPRSJZCZ-UHFFFAOYSA-N 1 2 234.303 0.727 20 0 BCADLO OCC1CN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000192180148 183041620 /nfs/dbraw/zinc/04/16/20/183041620.db2.gz JUZWSDMPRSJZCZ-UHFFFAOYSA-N 1 2 234.303 0.727 20 0 BCADLO OCCCCC[N@H+](CCO)CC(F)F ZINC000194852673 183045111 /nfs/dbraw/zinc/04/51/11/183045111.db2.gz KUNAPOTXHCRATA-UHFFFAOYSA-N 1 2 211.252 0.708 20 0 BCADLO OCCCCC[N@@H+](CCO)CC(F)F ZINC000194852673 183045114 /nfs/dbraw/zinc/04/51/14/183045114.db2.gz KUNAPOTXHCRATA-UHFFFAOYSA-N 1 2 211.252 0.708 20 0 BCADLO OCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340166778 183060758 /nfs/dbraw/zinc/06/07/58/183060758.db2.gz HNVKRNSXKIKBHQ-VIFPVBQESA-N 1 2 238.316 0.928 20 0 BCADLO OCC[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370083936 183076367 /nfs/dbraw/zinc/07/63/67/183076367.db2.gz VGMPNTFZTNGWIB-UHFFFAOYSA-N 1 2 235.209 0.779 20 0 BCADLO OCC[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370083936 183076368 /nfs/dbraw/zinc/07/63/68/183076368.db2.gz VGMPNTFZTNGWIB-UHFFFAOYSA-N 1 2 235.209 0.779 20 0 BCADLO OCCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353166876 183082251 /nfs/dbraw/zinc/08/22/51/183082251.db2.gz DNIQDBXPCLQCGQ-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO OCCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353166876 183082253 /nfs/dbraw/zinc/08/22/53/183082253.db2.gz DNIQDBXPCLQCGQ-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO OCCOCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000304822148 183083621 /nfs/dbraw/zinc/08/36/21/183083621.db2.gz CRMPGFYGRZKOPO-LBPRGKRZSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000304822148 183083623 /nfs/dbraw/zinc/08/36/23/183083623.db2.gz CRMPGFYGRZKOPO-LBPRGKRZSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000269907404 183087798 /nfs/dbraw/zinc/08/77/98/183087798.db2.gz HKSJULNYMSFOKA-UHFFFAOYSA-N 1 2 234.259 0.788 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCC[C@H]2CCO)[nH]1 ZINC000336672858 183093373 /nfs/dbraw/zinc/09/33/73/183093373.db2.gz JHQVGXFHNAUBLK-YUMQZZPRSA-N 1 2 226.280 0.151 20 0 BCADLO OCC[C@@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000330363471 183095579 /nfs/dbraw/zinc/09/55/79/183095579.db2.gz GRHUZWAGJHKFKZ-SNVBAGLBSA-N 1 2 211.265 0.041 20 0 BCADLO OC[C@@H](O)CSc1[nH+]cc2ccccn21 ZINC000264190214 183113830 /nfs/dbraw/zinc/11/38/30/183113830.db2.gz RLJUIZVZZQHLNS-SECBINFHSA-N 1 2 224.285 0.780 20 0 BCADLO OC[C@@H]1CC(F)(F)CN1Cc1c[nH+]c[nH]1 ZINC000372644635 183116718 /nfs/dbraw/zinc/11/67/18/183116718.db2.gz XYOPVVXTHVNUCN-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO OC[C@@H]1CC(F)(F)CN1Cc1c[nH]c[nH+]1 ZINC000372644635 183116722 /nfs/dbraw/zinc/11/67/22/183116722.db2.gz XYOPVVXTHVNUCN-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO CCCC[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353723342 169006534 /nfs/dbraw/zinc/00/65/34/169006534.db2.gz IRXCZEOMDKCXEL-QMMMGPOBSA-N 1 2 237.307 0.207 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@@H]2CCO)[nH]1 ZINC000336672853 183099248 /nfs/dbraw/zinc/09/92/48/183099248.db2.gz JHQVGXFHNAUBLK-HTQZYQBOSA-N 1 2 226.280 0.151 20 0 BCADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000336662857 183110250 /nfs/dbraw/zinc/11/02/50/183110250.db2.gz CIQWNFAIXFCIAE-ZJUUUORDSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCOCC(F)F)C1 ZINC000338622416 183134797 /nfs/dbraw/zinc/13/47/97/183134797.db2.gz CLIKCIIMOAHBAG-SECBINFHSA-N 1 2 227.226 0.674 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCOCC(F)F)C1 ZINC000338622416 183134798 /nfs/dbraw/zinc/13/47/98/183134798.db2.gz CLIKCIIMOAHBAG-SECBINFHSA-N 1 2 227.226 0.674 20 0 BCADLO OC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000336662854 183141536 /nfs/dbraw/zinc/14/15/36/183141536.db2.gz CIQWNFAIXFCIAE-UWVGGRQHSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@@H]1C[C@@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000363732871 183129232 /nfs/dbraw/zinc/12/92/32/183129232.db2.gz DHCTUSXSGMYSBV-VHSXEESVSA-N 1 2 245.282 0.562 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000274128169 183129990 /nfs/dbraw/zinc/12/99/90/183129990.db2.gz DMTCZCZZPQIPKR-LZEKQGCWSA-N 1 2 226.103 0.733 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000274128169 183129991 /nfs/dbraw/zinc/12/99/91/183129991.db2.gz DMTCZCZZPQIPKR-LZEKQGCWSA-N 1 2 226.103 0.733 20 0 BCADLO OC[C@H]1CCCCN1CC[N@@H+]1CCCOCC1 ZINC000361284866 183147779 /nfs/dbraw/zinc/14/77/79/183147779.db2.gz BFFJRRPONSXQEM-CYBMUJFWSA-N 1 2 242.363 0.556 20 0 BCADLO OC[C@H]1CCCCN1CC[N@H+]1CCCOCC1 ZINC000361284866 183147781 /nfs/dbraw/zinc/14/77/81/183147781.db2.gz BFFJRRPONSXQEM-CYBMUJFWSA-N 1 2 242.363 0.556 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000332698996 183151751 /nfs/dbraw/zinc/15/17/51/183151751.db2.gz WWRHYIIXBLLELA-SECBINFHSA-N 1 2 228.271 0.204 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000332698996 183151753 /nfs/dbraw/zinc/15/17/53/183151753.db2.gz WWRHYIIXBLLELA-SECBINFHSA-N 1 2 228.271 0.204 20 0 BCADLO OC[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000094267727 183154897 /nfs/dbraw/zinc/15/48/97/183154897.db2.gz QKFZNKPKKCFLKK-CYBMUJFWSA-N 1 2 237.299 0.759 20 0 BCADLO OC[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000094267727 183154898 /nfs/dbraw/zinc/15/48/98/183154898.db2.gz QKFZNKPKKCFLKK-CYBMUJFWSA-N 1 2 237.299 0.759 20 0 BCADLO OC[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000088094198 183155625 /nfs/dbraw/zinc/15/56/25/183155625.db2.gz CSJSHMOHFHRUBT-GFCCVEGCSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000088094198 183155626 /nfs/dbraw/zinc/15/56/26/183155626.db2.gz CSJSHMOHFHRUBT-GFCCVEGCSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@]1(F)CCC[N@H+](Cc2cncnc2)C1 ZINC000289934432 183157697 /nfs/dbraw/zinc/15/76/97/183157697.db2.gz WQZKGGRDGDDGGT-NSHDSACASA-N 1 2 225.267 0.773 20 0 BCADLO OC[C@]1(F)CCC[N@@H+](Cc2cncnc2)C1 ZINC000289934432 183157699 /nfs/dbraw/zinc/15/76/99/183157699.db2.gz WQZKGGRDGDDGGT-NSHDSACASA-N 1 2 225.267 0.773 20 0 BCADLO O[C@@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000308905489 183181947 /nfs/dbraw/zinc/18/19/47/183181947.db2.gz DHPUZTGUIDVGBR-ZJUUUORDSA-N 1 2 208.261 0.891 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353166906 183176459 /nfs/dbraw/zinc/17/64/59/183176459.db2.gz DUYBDRLMQIZAHP-UWVGGRQHSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCC[C@H]1C(F)F ZINC000353166906 183176462 /nfs/dbraw/zinc/17/64/62/183176462.db2.gz DUYBDRLMQIZAHP-UWVGGRQHSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@@H]1C[N@H+](Cc2csnn2)CC12CC2 ZINC000373517098 183206291 /nfs/dbraw/zinc/20/62/91/183206291.db2.gz SPZWZAQWCSSCCJ-MRVPVSSYSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2csnn2)CC12CC2 ZINC000373517098 183206292 /nfs/dbraw/zinc/20/62/92/183206292.db2.gz SPZWZAQWCSSCCJ-MRVPVSSYSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@@H]1C[NH+](Cc2cccc(Cl)n2)C[C@H]1O ZINC000236530189 183206591 /nfs/dbraw/zinc/20/65/91/183206591.db2.gz GPPMHBWTRZHXDH-RKDXNWHRSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@H](C[NH2+]Cc1cocn1)C(F)(F)F ZINC000277006679 183223578 /nfs/dbraw/zinc/22/35/78/183223578.db2.gz KUPFUQULOQFEPK-ZCFIWIBFSA-N 1 2 210.155 0.687 20 0 BCADLO O[C@@]1(C[NH2+]Cc2ccn[nH]2)CCSC1 ZINC000165136492 183215883 /nfs/dbraw/zinc/21/58/83/183215883.db2.gz SMUJRILXBZELMO-SECBINFHSA-N 1 2 213.306 0.367 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1conc1C ZINC000353597574 169110959 /nfs/dbraw/zinc/11/09/59/169110959.db2.gz UIFLOJZFRARLPM-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1conc1C ZINC000353597574 169110961 /nfs/dbraw/zinc/11/09/61/169110961.db2.gz UIFLOJZFRARLPM-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO O[C@H]1C[NH+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC000236591894 183244366 /nfs/dbraw/zinc/24/43/66/183244366.db2.gz FWQMOKWUKWXPLP-QWRGUYRKSA-N 1 2 229.226 0.502 20 0 BCADLO CCCN(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000378440789 169117484 /nfs/dbraw/zinc/11/74/84/169117484.db2.gz CKAWUJMHYUEOAS-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCCN(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000378440789 169117486 /nfs/dbraw/zinc/11/74/86/169117486.db2.gz CKAWUJMHYUEOAS-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO O[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000236556495 183245638 /nfs/dbraw/zinc/24/56/38/183245638.db2.gz GTTOJAIIIVBHMS-UWVGGRQHSA-N 1 2 219.244 0.105 20 0 BCADLO Oc1ccc(F)c(C[NH+]2C[C@@H](O)[C@H](O)C2)c1F ZINC000294713369 183273933 /nfs/dbraw/zinc/27/39/33/183273933.db2.gz OVRLKLZNXNQAQE-NXEZZACHSA-N 1 2 245.225 0.208 20 0 BCADLO Oc1cc(F)cc(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000294753048 183258443 /nfs/dbraw/zinc/25/84/43/183258443.db2.gz IKWGGQKSBZODRY-LBPRGKRZSA-N 1 2 241.262 0.724 20 0 BCADLO Oc1cc(F)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000294753048 183258446 /nfs/dbraw/zinc/25/84/46/183258446.db2.gz IKWGGQKSBZODRY-LBPRGKRZSA-N 1 2 241.262 0.724 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](O)C23CCCC3)[nH]1 ZINC000333464157 183306477 /nfs/dbraw/zinc/30/64/77/183306477.db2.gz QCVLXAHALJUGHI-QMMMGPOBSA-N 1 2 238.291 0.390 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](O)C23CCCC3)[nH]1 ZINC000333464157 183306478 /nfs/dbraw/zinc/30/64/78/183306478.db2.gz QCVLXAHALJUGHI-QMMMGPOBSA-N 1 2 238.291 0.390 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000329983669 183310243 /nfs/dbraw/zinc/31/02/43/183310243.db2.gz BLEGUEBFXIHUFW-RKDXNWHRSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000329983669 183310244 /nfs/dbraw/zinc/31/02/44/183310244.db2.gz BLEGUEBFXIHUFW-RKDXNWHRSA-N 1 2 238.291 0.103 20 0 BCADLO CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248525921 169206806 /nfs/dbraw/zinc/20/68/06/169206806.db2.gz CRVDUXOURUNKLV-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248525921 169206808 /nfs/dbraw/zinc/20/68/08/169206808.db2.gz CRVDUXOURUNKLV-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CCCNC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000045072640 169217136 /nfs/dbraw/zinc/21/71/36/169217136.db2.gz NBOZBUFNKFKHMY-UHFFFAOYSA-N 1 2 210.281 0.416 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000048577179 169220327 /nfs/dbraw/zinc/22/03/27/169220327.db2.gz WBSGXBDSEYYYNF-LLVKDONJSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000048577179 169220329 /nfs/dbraw/zinc/22/03/29/169220329.db2.gz WBSGXBDSEYYYNF-LLVKDONJSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000367857129 169222215 /nfs/dbraw/zinc/22/22/15/169222215.db2.gz NMTNLOWMQYHQNR-LLVKDONJSA-N 1 2 232.299 0.309 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000367857129 169222216 /nfs/dbraw/zinc/22/22/16/169222216.db2.gz NMTNLOWMQYHQNR-LLVKDONJSA-N 1 2 232.299 0.309 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668905 169241275 /nfs/dbraw/zinc/24/12/75/169241275.db2.gz VUIKYRVLGWADMK-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668905 169241276 /nfs/dbraw/zinc/24/12/76/169241276.db2.gz VUIKYRVLGWADMK-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CCCOCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355077092 169304946 /nfs/dbraw/zinc/30/49/46/169304946.db2.gz DRXUQYPNIJGDMC-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCOCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355077092 169304948 /nfs/dbraw/zinc/30/49/48/169304948.db2.gz DRXUQYPNIJGDMC-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCOC[C@H](C)C1 ZINC000359976430 169329735 /nfs/dbraw/zinc/32/97/35/169329735.db2.gz HIOFQBMLQSWHJR-LLVKDONJSA-N 1 2 249.376 0.780 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCOC[C@H](C)C1 ZINC000359976430 169329737 /nfs/dbraw/zinc/32/97/37/169329737.db2.gz HIOFQBMLQSWHJR-LLVKDONJSA-N 1 2 249.376 0.780 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+](C)[C@H]1CCNC1=O ZINC000340227110 169347408 /nfs/dbraw/zinc/34/74/08/169347408.db2.gz YCXWDVYTNFCCPF-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227110 169347409 /nfs/dbraw/zinc/34/74/09/169347409.db2.gz YCXWDVYTNFCCPF-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO C[C@@H](O)[C@@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000221172050 134316935 /nfs/dbraw/zinc/31/69/35/134316935.db2.gz RIGPEEKMJPRJKL-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO CCC[C@@H](NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000336730449 169396066 /nfs/dbraw/zinc/39/60/66/169396066.db2.gz XZVIBOLAYQFQTI-SECBINFHSA-N 1 2 238.291 0.043 20 0 BCADLO COC(=O)c1ccc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000181726771 134338635 /nfs/dbraw/zinc/33/86/35/134338635.db2.gz LFSFPMRAYDZAEL-UHFFFAOYSA-N 1 2 238.243 0.174 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H](O)COCC)C(=O)OC ZINC000118005555 169550116 /nfs/dbraw/zinc/55/01/16/169550116.db2.gz JZRKVXUNWYCUCY-PWSUYJOCSA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCOCCO)C(=O)OC ZINC000183685706 134353036 /nfs/dbraw/zinc/35/30/36/134353036.db2.gz BQRGEISTZISNFJ-UWVGGRQHSA-N 1 2 233.308 0.173 20 0 BCADLO CC1(C)CC[C@@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000184649234 134367028 /nfs/dbraw/zinc/36/70/28/134367028.db2.gz SMLOUSLPBHATBR-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CC1(C)CC[C@@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000184649234 134367029 /nfs/dbraw/zinc/36/70/29/134367029.db2.gz SMLOUSLPBHATBR-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[N@@H+]1CCc2ncnc(N[C@@H]3CC[C@H]3O)c2C1 ZINC000564876749 383839408 /nfs/dbraw/zinc/83/94/08/383839408.db2.gz ZQDXJLWPVKWNPV-GHMZBOCLSA-N 1 2 234.303 0.400 20 0 BCADLO C[N@H+]1CCc2ncnc(N[C@@H]3CC[C@H]3O)c2C1 ZINC000564876749 383839411 /nfs/dbraw/zinc/83/94/11/383839411.db2.gz ZQDXJLWPVKWNPV-GHMZBOCLSA-N 1 2 234.303 0.400 20 0 BCADLO c1c[nH+]c(CN2CCN(c3cccnn3)CC2)[nH]1 ZINC000111214540 383842071 /nfs/dbraw/zinc/84/20/71/383842071.db2.gz SSNOOJDRPWAMBQ-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO CO[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048780920 383857721 /nfs/dbraw/zinc/85/77/21/383857721.db2.gz WCOBTTHNTYPIGS-RKDXNWHRSA-N 1 2 211.265 0.423 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000309316099 383869157 /nfs/dbraw/zinc/86/91/57/383869157.db2.gz YSRLRVNDNDZGAR-DTORHVGOSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000309316099 383869162 /nfs/dbraw/zinc/86/91/62/383869162.db2.gz YSRLRVNDNDZGAR-DTORHVGOSA-N 1 2 222.292 0.668 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H]2O)c(C)c[nH+]1 ZINC000564446473 383911947 /nfs/dbraw/zinc/91/19/47/383911947.db2.gz UWLBPZTYMGDIFB-MWLCHTKSSA-N 1 2 235.287 0.765 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C)n1)C(=O)NC(C)(C)C ZINC000112344099 383919187 /nfs/dbraw/zinc/91/91/87/383919187.db2.gz NRZSINKTGHSXAI-VIFPVBQESA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ncon1 ZINC000493775281 533019082 /nfs/dbraw/zinc/01/90/82/533019082.db2.gz HPMLYCOFZGVUCX-TYWZFMJISA-N 1 2 233.231 0.683 20 0 BCADLO CCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000070227990 383894249 /nfs/dbraw/zinc/89/42/49/383894249.db2.gz BIWRJLOAXSSZSC-MRVPVSSYSA-N 1 2 217.294 0.211 20 0 BCADLO CN(C)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088358058 383896890 /nfs/dbraw/zinc/89/68/90/383896890.db2.gz PHPPTKZYKMNBHL-GFCCVEGCSA-N 1 2 249.314 0.680 20 0 BCADLO C[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000531113088 383898601 /nfs/dbraw/zinc/89/86/01/383898601.db2.gz SAWOBPLQEKTHQZ-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000531113088 383898604 /nfs/dbraw/zinc/89/86/04/383898604.db2.gz SAWOBPLQEKTHQZ-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000518456260 383900416 /nfs/dbraw/zinc/90/04/16/383900416.db2.gz GKKHWGZLCKGGEA-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)C(=O)NC(C)(C)C ZINC000066990771 383903196 /nfs/dbraw/zinc/90/31/96/383903196.db2.gz HCLFLURQCNBTCE-QMMMGPOBSA-N 1 2 224.308 0.803 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nonc1C ZINC000070269535 383903691 /nfs/dbraw/zinc/90/36/91/383903691.db2.gz ZYTVLAOGGRCYMN-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nonc1C ZINC000070269535 383903697 /nfs/dbraw/zinc/90/36/97/383903697.db2.gz ZYTVLAOGGRCYMN-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000647214182 383984168 /nfs/dbraw/zinc/98/41/68/383984168.db2.gz REPYZTFZSHXNJD-WCABBAIRSA-N 1 2 235.287 0.375 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC1(CO)CC1 ZINC000186765814 383995562 /nfs/dbraw/zinc/99/55/62/383995562.db2.gz FTGMOVADGTUXPH-UHFFFAOYSA-N 1 2 239.323 0.458 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186765814 383995570 /nfs/dbraw/zinc/99/55/70/383995570.db2.gz FTGMOVADGTUXPH-UHFFFAOYSA-N 1 2 239.323 0.458 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000332461795 383997761 /nfs/dbraw/zinc/99/77/61/383997761.db2.gz JAHJFXDWPXVWNM-GFCCVEGCSA-N 1 2 244.335 0.173 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000332461795 383997770 /nfs/dbraw/zinc/99/77/70/383997770.db2.gz JAHJFXDWPXVWNM-GFCCVEGCSA-N 1 2 244.335 0.173 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[C@@H]1O ZINC000089162945 383937950 /nfs/dbraw/zinc/93/79/50/383937950.db2.gz FHJZAUSOCWJBDI-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@H]1O ZINC000089162946 383939643 /nfs/dbraw/zinc/93/96/43/383939643.db2.gz FHJZAUSOCWJBDI-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC[C@H](C)O ZINC000560186407 383957359 /nfs/dbraw/zinc/95/73/59/383957359.db2.gz NZBCIEZLFMQRNO-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC[C@H](C)O ZINC000560186407 383957364 /nfs/dbraw/zinc/95/73/64/383957364.db2.gz NZBCIEZLFMQRNO-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)[nH]n1 ZINC000068004901 383967261 /nfs/dbraw/zinc/96/72/61/383967261.db2.gz MHXKDRJLUCSATF-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000497137469 383974348 /nfs/dbraw/zinc/97/43/48/383974348.db2.gz YXIZPYJDVFWTGY-KXUCPTDWSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000497137469 383974350 /nfs/dbraw/zinc/97/43/50/383974350.db2.gz YXIZPYJDVFWTGY-KXUCPTDWSA-N 1 2 228.292 0.546 20 0 BCADLO COC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000278578066 384018883 /nfs/dbraw/zinc/01/88/83/384018883.db2.gz FLRRPJUNNMYRKR-QWRGUYRKSA-N 1 2 225.292 0.693 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000278578062 384019332 /nfs/dbraw/zinc/01/93/32/384019332.db2.gz FLRRPJUNNMYRKR-GHMZBOCLSA-N 1 2 225.292 0.693 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1nccn1C ZINC000186807692 384020063 /nfs/dbraw/zinc/02/00/63/384020063.db2.gz MOPFZJGZLVQWNX-VIFPVBQESA-N 1 2 224.308 0.549 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC1CC1 ZINC000336505030 384026145 /nfs/dbraw/zinc/02/61/45/384026145.db2.gz INWMXAINODTFKK-VIFPVBQESA-N 1 2 232.349 0.362 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1CC1 ZINC000336505030 384026151 /nfs/dbraw/zinc/02/61/51/384026151.db2.gz INWMXAINODTFKK-VIFPVBQESA-N 1 2 232.349 0.362 20 0 BCADLO CC(=O)CCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000363442850 384033437 /nfs/dbraw/zinc/03/34/37/384033437.db2.gz AFRDACXENIGLEL-NSHDSACASA-N 1 2 249.314 0.992 20 0 BCADLO COCc1cc(C(=O)N2CC[NH+](C)CC2)no1 ZINC000090253995 384038564 /nfs/dbraw/zinc/03/85/64/384038564.db2.gz RRGYMORRILJFPC-UHFFFAOYSA-N 1 2 239.275 0.209 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000077174704 384053355 /nfs/dbraw/zinc/05/33/55/384053355.db2.gz LSJZNMCSSHCFTP-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000077174704 384053362 /nfs/dbraw/zinc/05/33/62/384053362.db2.gz LSJZNMCSSHCFTP-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO CS(=O)(=O)NCCCNc1cccc[nH+]1 ZINC000076649362 384060986 /nfs/dbraw/zinc/06/09/86/384060986.db2.gz PTIAQAWDXBBAOI-UHFFFAOYSA-N 1 2 229.305 0.433 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@]1(C)CCCO1 ZINC000309661300 384063763 /nfs/dbraw/zinc/06/37/63/384063763.db2.gz AYHYTAHADTZTHR-WPRPVWTQSA-N 1 2 225.296 0.257 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)NCCCOC ZINC000115741056 384095587 /nfs/dbraw/zinc/09/55/87/384095587.db2.gz LGUCISUXUHXGDF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)NCCCOC ZINC000115741056 384095589 /nfs/dbraw/zinc/09/55/89/384095589.db2.gz LGUCISUXUHXGDF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CO[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000530468383 384099713 /nfs/dbraw/zinc/09/97/13/384099713.db2.gz MTMBQGOBSMKXSU-ONGXEEELSA-N 1 2 237.303 0.646 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1noc(C)n1 ZINC000050053816 384104927 /nfs/dbraw/zinc/10/49/27/384104927.db2.gz RGDIJERWGFQMTC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1noc(C)n1 ZINC000050053816 384104929 /nfs/dbraw/zinc/10/49/29/384104929.db2.gz RGDIJERWGFQMTC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C(C)C)n1C ZINC000050103862 384107586 /nfs/dbraw/zinc/10/75/86/384107586.db2.gz MVHSMZHUGJKXCQ-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C(C)C)n1C ZINC000050103862 384107593 /nfs/dbraw/zinc/10/75/93/384107593.db2.gz MVHSMZHUGJKXCQ-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000332667097 384108010 /nfs/dbraw/zinc/10/80/10/384108010.db2.gz HHANBLUPKFOPTG-NXEZZACHSA-N 1 2 245.710 0.265 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000332667097 384108016 /nfs/dbraw/zinc/10/80/16/384108016.db2.gz HHANBLUPKFOPTG-NXEZZACHSA-N 1 2 245.710 0.265 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCCc1c[nH+]cn1C ZINC000530481274 384118912 /nfs/dbraw/zinc/11/89/12/384118912.db2.gz IYBUDDNDYWOZAT-GFCCVEGCSA-N 1 2 239.319 0.894 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@]12CCOC2 ZINC000564469656 384126377 /nfs/dbraw/zinc/12/63/77/384126377.db2.gz FZVGKQUCEHEFBC-MFKMUULPSA-N 1 2 249.314 0.946 20 0 BCADLO C[C@@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000091485272 384129030 /nfs/dbraw/zinc/12/90/30/384129030.db2.gz VEEFBWLLIZHBGJ-ZETCQYMHSA-N 1 2 234.263 0.037 20 0 BCADLO O=C(CC[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000070651490 384130455 /nfs/dbraw/zinc/13/04/55/384130455.db2.gz NEZHOQKHNRUCCG-VIFPVBQESA-N 1 2 223.276 0.985 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000091864365 384150007 /nfs/dbraw/zinc/15/00/07/384150007.db2.gz ICBREPLQSWWFAE-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000091864365 384150011 /nfs/dbraw/zinc/15/00/11/384150011.db2.gz ICBREPLQSWWFAE-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1cnn(C)n1 ZINC000368124039 384153451 /nfs/dbraw/zinc/15/34/51/384153451.db2.gz PQMCDWFNBXXKKP-NSHDSACASA-N 1 2 246.318 0.886 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnn(CC)c1 ZINC000091950284 384155539 /nfs/dbraw/zinc/15/55/39/384155539.db2.gz GLHHMYPLAVZGAO-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnn(CC)c1 ZINC000091950284 384155541 /nfs/dbraw/zinc/15/55/41/384155541.db2.gz GLHHMYPLAVZGAO-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000070887084 384139649 /nfs/dbraw/zinc/13/96/49/384139649.db2.gz IHVHVSQPNFNHHO-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000070990612 384145752 /nfs/dbraw/zinc/14/57/52/384145752.db2.gz IDGMDWHMYMRDPO-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cc[nH]n1 ZINC000092104463 384163326 /nfs/dbraw/zinc/16/33/26/384163326.db2.gz RCWXVCOAVVJVJR-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc[nH]n1 ZINC000092104463 384163331 /nfs/dbraw/zinc/16/33/31/384163331.db2.gz RCWXVCOAVVJVJR-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055618 384207527 /nfs/dbraw/zinc/20/75/27/384207527.db2.gz QQFPTCBBPAETIL-LLVKDONJSA-N 1 2 236.319 0.675 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055618 384207533 /nfs/dbraw/zinc/20/75/33/384207533.db2.gz QQFPTCBBPAETIL-LLVKDONJSA-N 1 2 236.319 0.675 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(C)C ZINC000247968442 384230827 /nfs/dbraw/zinc/23/08/27/384230827.db2.gz GXUWFQKPZFKGEN-SECBINFHSA-N 1 2 243.351 0.310 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(C)C ZINC000247968442 384230833 /nfs/dbraw/zinc/23/08/33/384230833.db2.gz GXUWFQKPZFKGEN-SECBINFHSA-N 1 2 243.351 0.310 20 0 BCADLO CS[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047151974 384231826 /nfs/dbraw/zinc/23/18/26/384231826.db2.gz KDOHYPBTEHBRFK-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047151975 384232663 /nfs/dbraw/zinc/23/26/63/384232663.db2.gz KDOHYPBTEHBRFK-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO Cn1nccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000082267643 384232794 /nfs/dbraw/zinc/23/27/94/384232794.db2.gz YCFPAMRZKLDCIS-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H](CC)C(N)=O)CCO1 ZINC000248035624 384239394 /nfs/dbraw/zinc/23/93/94/384239394.db2.gz LBSXOGVXGIAZNV-VHSXEESVSA-N 1 2 214.309 0.751 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H](CC)C(N)=O)CCO1 ZINC000248035624 384239397 /nfs/dbraw/zinc/23/93/97/384239397.db2.gz LBSXOGVXGIAZNV-VHSXEESVSA-N 1 2 214.309 0.751 20 0 BCADLO C[C@@]1(NC(=O)NCCn2cc[nH+]c2)CCOC1 ZINC000158239947 384213028 /nfs/dbraw/zinc/21/30/28/384213028.db2.gz VKJDAFLVNDBJDQ-LLVKDONJSA-N 1 2 238.291 0.361 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCOCCO)n1 ZINC000558629506 384226073 /nfs/dbraw/zinc/22/60/73/384226073.db2.gz JHPUDSFOTQWJTF-QMMMGPOBSA-N 1 2 229.280 0.380 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCOCCO)n1 ZINC000558629506 384226079 /nfs/dbraw/zinc/22/60/79/384226079.db2.gz JHPUDSFOTQWJTF-QMMMGPOBSA-N 1 2 229.280 0.380 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccnn1C ZINC000158568408 384245603 /nfs/dbraw/zinc/24/56/03/384245603.db2.gz ACBIBAANYTUDNH-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccnn1C ZINC000158568408 384245607 /nfs/dbraw/zinc/24/56/07/384245607.db2.gz ACBIBAANYTUDNH-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000093529550 384248072 /nfs/dbraw/zinc/24/80/72/384248072.db2.gz DSDSVJXZWQCVPE-GFCCVEGCSA-N 1 2 224.304 0.872 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000093529550 384248077 /nfs/dbraw/zinc/24/80/77/384248077.db2.gz DSDSVJXZWQCVPE-GFCCVEGCSA-N 1 2 224.304 0.872 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093530740 384248760 /nfs/dbraw/zinc/24/87/60/384248760.db2.gz LCHBXZGGFBFYFR-VIFPVBQESA-N 1 2 244.316 0.403 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093530740 384248765 /nfs/dbraw/zinc/24/87/65/384248765.db2.gz LCHBXZGGFBFYFR-VIFPVBQESA-N 1 2 244.316 0.403 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000093809341 384268417 /nfs/dbraw/zinc/26/84/17/384268417.db2.gz YQDIOFFNHNJLMJ-JTQLQIEISA-N 1 2 236.319 0.806 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000093809341 384268422 /nfs/dbraw/zinc/26/84/22/384268422.db2.gz YQDIOFFNHNJLMJ-JTQLQIEISA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H](CO)N(C)c1[nH+]cnc2c1cnn2C ZINC000158830621 384275259 /nfs/dbraw/zinc/27/52/59/384275259.db2.gz XUBDATPBEJRZQN-ZETCQYMHSA-N 1 2 221.264 0.180 20 0 BCADLO Cc1nc(N[C@H](CO)CC(C)C)nc(N)[nH+]1 ZINC000304402960 384275868 /nfs/dbraw/zinc/27/58/68/384275868.db2.gz BAYVZJQVGIYHJP-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CC(C)C)[nH+]1 ZINC000304402960 384275877 /nfs/dbraw/zinc/27/58/77/384275877.db2.gz BAYVZJQVGIYHJP-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H](O)C2(C)C)nc(N)[nH+]1 ZINC000304444146 384311337 /nfs/dbraw/zinc/31/13/37/384311337.db2.gz IMPUHMXPOHKPQE-NKWVEPMBSA-N 1 2 223.280 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@H]2C[C@@H](O)C2(C)C)[nH+]1 ZINC000304444146 384311345 /nfs/dbraw/zinc/31/13/45/384311345.db2.gz IMPUHMXPOHKPQE-NKWVEPMBSA-N 1 2 223.280 0.334 20 0 BCADLO Cc1csc(C[NH2+][C@H](C)CS(C)(=O)=O)n1 ZINC000079055316 384317175 /nfs/dbraw/zinc/31/71/75/384317175.db2.gz NEEKWRBPYTXJHD-MRVPVSSYSA-N 1 2 248.373 0.974 20 0 BCADLO Cc1nc(N(C)Cc2cscn2)nc(N)[nH+]1 ZINC000304461520 384320610 /nfs/dbraw/zinc/32/06/10/384320610.db2.gz MIJDYHMKRWVKRI-UHFFFAOYSA-N 1 2 236.304 0.855 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2cscn2)[nH+]1 ZINC000304461520 384320619 /nfs/dbraw/zinc/32/06/19/384320619.db2.gz MIJDYHMKRWVKRI-UHFFFAOYSA-N 1 2 236.304 0.855 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000305645597 384279224 /nfs/dbraw/zinc/27/92/24/384279224.db2.gz AOCVHIYRRZTSRG-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000305645597 384279229 /nfs/dbraw/zinc/27/92/29/384279229.db2.gz AOCVHIYRRZTSRG-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@H](C)CO)C1CC1 ZINC000300011682 384279422 /nfs/dbraw/zinc/27/94/22/384279422.db2.gz WTYCUTWDRMZGDT-KHQFGBGNSA-N 1 2 215.293 0.545 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000305645596 384281637 /nfs/dbraw/zinc/28/16/37/384281637.db2.gz AOCVHIYRRZTSRG-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000305645596 384281644 /nfs/dbraw/zinc/28/16/44/384281644.db2.gz AOCVHIYRRZTSRG-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000304413295 384287320 /nfs/dbraw/zinc/28/73/20/384287320.db2.gz CKLRKBGIIYIWKL-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000304413295 384287329 /nfs/dbraw/zinc/28/73/29/384287329.db2.gz CKLRKBGIIYIWKL-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2cc3n(n2)CCC3)C1 ZINC000569590418 384289111 /nfs/dbraw/zinc/28/91/11/384289111.db2.gz LTXXTGFNRXQWMG-VIFPVBQESA-N 1 2 248.330 0.711 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000308622910 384353169 /nfs/dbraw/zinc/35/31/69/384353169.db2.gz UTARDTKMJHYZLO-IUCAKERBSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300357969 384357113 /nfs/dbraw/zinc/35/71/13/384357113.db2.gz YTVSLZVAWYPXIB-YIZRAAEISA-N 1 2 215.293 0.951 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000300373715 384360438 /nfs/dbraw/zinc/36/04/38/384360438.db2.gz ZCMVIFIOVOCAKU-OYNCUSHFSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc2n1CCCC2 ZINC000331534224 384369158 /nfs/dbraw/zinc/36/91/58/384369158.db2.gz GLIAMLBVHJJLFD-ZJUUUORDSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc2n1CCCC2 ZINC000331534224 384369161 /nfs/dbraw/zinc/36/91/61/384369161.db2.gz GLIAMLBVHJJLFD-ZJUUUORDSA-N 1 2 236.319 0.570 20 0 BCADLO CO[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304536624 384369429 /nfs/dbraw/zinc/36/94/29/384369429.db2.gz VEENIXATAMVVJQ-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO CO[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304536624 384369432 /nfs/dbraw/zinc/36/94/32/384369432.db2.gz VEENIXATAMVVJQ-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(NC[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000304531478 384370305 /nfs/dbraw/zinc/37/03/05/384370305.db2.gz UHEBAVDYQRJJST-MRVPVSSYSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCOC2)[nH+]1 ZINC000304531478 384370309 /nfs/dbraw/zinc/37/03/09/384370309.db2.gz UHEBAVDYQRJJST-MRVPVSSYSA-N 1 2 223.280 0.601 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332644717 384324690 /nfs/dbraw/zinc/32/46/90/384324690.db2.gz LDYLFSFNOOLZGH-MNOVXSKESA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332644717 384324695 /nfs/dbraw/zinc/32/46/95/384324695.db2.gz LDYLFSFNOOLZGH-MNOVXSKESA-N 1 2 238.335 0.889 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229913344 384325298 /nfs/dbraw/zinc/32/52/98/384325298.db2.gz ZEQQXIPWEUQTAR-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229913344 384325303 /nfs/dbraw/zinc/32/53/03/384325303.db2.gz ZEQQXIPWEUQTAR-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332644716 384325926 /nfs/dbraw/zinc/32/59/26/384325926.db2.gz LDYLFSFNOOLZGH-GHMZBOCLSA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332644716 384325930 /nfs/dbraw/zinc/32/59/30/384325930.db2.gz LDYLFSFNOOLZGH-GHMZBOCLSA-N 1 2 238.335 0.889 20 0 BCADLO Cc1nc(N[C@H](C)[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000304503440 384334277 /nfs/dbraw/zinc/33/42/77/384334277.db2.gz QNIUQQYNOLFTKN-HTRCEHHLSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@@H]2CCOC2)[nH+]1 ZINC000304503440 384334288 /nfs/dbraw/zinc/33/42/88/384334288.db2.gz QNIUQQYNOLFTKN-HTRCEHHLSA-N 1 2 223.280 0.599 20 0 BCADLO CCO[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000302615948 384396899 /nfs/dbraw/zinc/39/68/99/384396899.db2.gz MHQNWIBUKLUDSO-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CCO[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000302615948 384396904 /nfs/dbraw/zinc/39/69/04/384396904.db2.gz MHQNWIBUKLUDSO-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CCOCCN(CC)c1nc(C)[nH+]c(N)n1 ZINC000304559225 384398804 /nfs/dbraw/zinc/39/88/04/384398804.db2.gz YKYXTANWXUPUPR-UHFFFAOYSA-N 1 2 225.296 0.625 20 0 BCADLO CCOCCN(CC)c1nc(N)nc(C)[nH+]1 ZINC000304559225 384398808 /nfs/dbraw/zinc/39/88/08/384398808.db2.gz YKYXTANWXUPUPR-UHFFFAOYSA-N 1 2 225.296 0.625 20 0 BCADLO Cc1nc(N(C)Cc2ccccn2)nc(N)[nH+]1 ZINC000302615211 384399060 /nfs/dbraw/zinc/39/90/60/384399060.db2.gz MBXYTQUHEHOOPC-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2ccccn2)[nH+]1 ZINC000302615211 384399064 /nfs/dbraw/zinc/39/90/64/384399064.db2.gz MBXYTQUHEHOOPC-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO CCN(CCCO)C(=O)CCn1cc[nH+]c1 ZINC000160294644 384401029 /nfs/dbraw/zinc/40/10/29/384401029.db2.gz KNDPDNMPXFLIQM-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO C[C@@H](O)CC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000248895908 384405629 /nfs/dbraw/zinc/40/56/29/384405629.db2.gz UDXFVISBRHPGSQ-RKDXNWHRSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000248895908 384405635 /nfs/dbraw/zinc/40/56/35/384405635.db2.gz UDXFVISBRHPGSQ-RKDXNWHRSA-N 1 2 239.323 0.772 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000121445870 384416793 /nfs/dbraw/zinc/41/67/93/384416793.db2.gz WSODHJFZZYBKEB-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000121445870 384416798 /nfs/dbraw/zinc/41/67/98/384416798.db2.gz WSODHJFZZYBKEB-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC000175301418 384422965 /nfs/dbraw/zinc/42/29/65/384422965.db2.gz XGIFBEFGCNBAHA-VIFPVBQESA-N 1 2 230.333 0.972 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC000175301418 384422970 /nfs/dbraw/zinc/42/29/70/384422970.db2.gz XGIFBEFGCNBAHA-VIFPVBQESA-N 1 2 230.333 0.972 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H](C)O1 ZINC000247581847 384377209 /nfs/dbraw/zinc/37/72/09/384377209.db2.gz LPMPYYQJEWSEDH-IWSPIJDZSA-N 1 2 200.282 0.360 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H](C)O1 ZINC000247581847 384377219 /nfs/dbraw/zinc/37/72/19/384377219.db2.gz LPMPYYQJEWSEDH-IWSPIJDZSA-N 1 2 200.282 0.360 20 0 BCADLO C[C@@H](CCO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000160656324 384425783 /nfs/dbraw/zinc/42/57/83/384425783.db2.gz XOMPAJQHENYMFI-QMMMGPOBSA-N 1 2 248.290 0.427 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1COCCO1)c1[nH]cc[nH+]1 ZINC000140725640 384450863 /nfs/dbraw/zinc/45/08/63/384450863.db2.gz BZOQEWIWOZXQPT-BDAKNGLRSA-N 1 2 239.275 0.392 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCN1CCCC1=O ZINC000556686294 384452028 /nfs/dbraw/zinc/45/20/28/384452028.db2.gz WUJHZYJGXOPYLO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCN1CCCC1=O ZINC000556686294 384452033 /nfs/dbraw/zinc/45/20/33/384452033.db2.gz WUJHZYJGXOPYLO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO COC[C@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000122045407 384454532 /nfs/dbraw/zinc/45/45/32/384454532.db2.gz GUPOMLXQCFZZMF-SECBINFHSA-N 1 2 239.275 0.519 20 0 BCADLO COC(=O)c1ccoc1C[N@H+](C)CCO ZINC000050683169 384455918 /nfs/dbraw/zinc/45/59/18/384455918.db2.gz SHDDDRGAOSFAIR-UHFFFAOYSA-N 1 2 213.233 0.490 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+](C)CCO ZINC000050683169 384455922 /nfs/dbraw/zinc/45/59/22/384455922.db2.gz SHDDDRGAOSFAIR-UHFFFAOYSA-N 1 2 213.233 0.490 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000308927767 384437579 /nfs/dbraw/zinc/43/75/79/384437579.db2.gz IQPKPCYLBMOKLN-QXEWZRGKSA-N 1 2 215.293 0.689 20 0 BCADLO CCc1cnc(C[N@@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000556623783 384438799 /nfs/dbraw/zinc/43/87/99/384438799.db2.gz XILPGTZJYTVHBR-QMMMGPOBSA-N 1 2 238.291 0.480 20 0 BCADLO CCc1cnc(C[N@H+]2CC[C@H](NC(N)=O)C2)o1 ZINC000556623783 384438800 /nfs/dbraw/zinc/43/88/00/384438800.db2.gz XILPGTZJYTVHBR-QMMMGPOBSA-N 1 2 238.291 0.480 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1(O)CCCC1 ZINC000078744826 384461020 /nfs/dbraw/zinc/46/10/20/384461020.db2.gz KVKAKZFNSMAHOE-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO CN(CC(C)(C)O)c1[nH+]cnc2c1cnn2C ZINC000078777368 384463138 /nfs/dbraw/zinc/46/31/38/384463138.db2.gz WKKDABDHIYWRQR-UHFFFAOYSA-N 1 2 235.291 0.570 20 0 BCADLO CO[C@@](C)(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291521095 384466106 /nfs/dbraw/zinc/46/61/06/384466106.db2.gz RRBWWGQXLKSRSJ-GFCCVEGCSA-N 1 2 237.303 0.851 20 0 BCADLO Cc1ocnc1C(=O)N1CC[NH+](C)CC1 ZINC000102486640 384483175 /nfs/dbraw/zinc/48/31/75/384483175.db2.gz YFWPBYRWFUKILC-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO C[C@@H]([NH2+]CC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000150851309 384514540 /nfs/dbraw/zinc/51/45/40/384514540.db2.gz WGTRDJMVMJNHCW-SECBINFHSA-N 1 2 245.286 0.403 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000247968462 384543181 /nfs/dbraw/zinc/54/31/81/384543181.db2.gz FEOKDRBFZSHJSV-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000247968462 384543190 /nfs/dbraw/zinc/54/31/90/384543190.db2.gz FEOKDRBFZSHJSV-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000372950032 384543540 /nfs/dbraw/zinc/54/35/40/384543540.db2.gz FAQFPCFYQOMYRU-GUBZILKMSA-N 1 2 211.261 0.459 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCCNC2=O)n1C ZINC000309703984 384544740 /nfs/dbraw/zinc/54/47/40/384544740.db2.gz NRHKAIWFXLSPTL-VIFPVBQESA-N 1 2 222.292 0.097 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2CCCNC2=O)n1C ZINC000309703984 384544748 /nfs/dbraw/zinc/54/47/48/384544748.db2.gz NRHKAIWFXLSPTL-VIFPVBQESA-N 1 2 222.292 0.097 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)[C@@H](C)CC ZINC000183587508 384546492 /nfs/dbraw/zinc/54/64/92/384546492.db2.gz ZJUGYBDSIKJCNT-UWVGGRQHSA-N 1 2 217.309 0.936 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C)[N@H+](C)C1 ZINC000408035483 384547674 /nfs/dbraw/zinc/54/76/74/384547674.db2.gz MFHWWHKSRVQAQA-IUCAKERBSA-N 1 2 238.291 0.078 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C)[N@@H+](C)C1 ZINC000408035483 384547682 /nfs/dbraw/zinc/54/76/82/384547682.db2.gz MFHWWHKSRVQAQA-IUCAKERBSA-N 1 2 238.291 0.078 20 0 BCADLO COCCn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000049715263 384562368 /nfs/dbraw/zinc/56/23/68/384562368.db2.gz INZONUSDTAJWSY-UHFFFAOYSA-N 1 2 221.264 0.865 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569608863 384537421 /nfs/dbraw/zinc/53/74/21/384537421.db2.gz PRTSIZALLBNEHC-YJQGPUDQSA-N 1 2 247.298 0.207 20 0 BCADLO Cc1nc(N[C@@H](C)C2CCOCC2)nc(N)[nH+]1 ZINC000306083693 384569712 /nfs/dbraw/zinc/56/97/12/384569712.db2.gz JDSRNZTVFSIUMO-ZETCQYMHSA-N 1 2 237.307 0.989 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)C2CCOCC2)[nH+]1 ZINC000306083693 384569717 /nfs/dbraw/zinc/56/97/17/384569717.db2.gz JDSRNZTVFSIUMO-ZETCQYMHSA-N 1 2 237.307 0.989 20 0 BCADLO CC1(C(N)=O)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000517930091 384574137 /nfs/dbraw/zinc/57/41/37/384574137.db2.gz RNAQHRUBJBQAKB-UHFFFAOYSA-N 1 2 241.682 0.024 20 0 BCADLO CC1(C(N)=O)CN(c2[nH+]cnc(N)c2Cl)C1 ZINC000517930091 384574143 /nfs/dbraw/zinc/57/41/43/384574143.db2.gz RNAQHRUBJBQAKB-UHFFFAOYSA-N 1 2 241.682 0.024 20 0 BCADLO C[C@@H]1CSC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561219639 384574163 /nfs/dbraw/zinc/57/41/63/384574163.db2.gz JEVKIORZIDHDCM-SCZZXKLOSA-N 1 2 239.344 0.830 20 0 BCADLO COC1(CC(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000234602606 384574966 /nfs/dbraw/zinc/57/49/66/384574966.db2.gz FCLXHFONTPHCQK-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO COC1(CC(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000234602606 384574977 /nfs/dbraw/zinc/57/49/77/384574977.db2.gz FCLXHFONTPHCQK-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO C[C@H]1C[N@H+](CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000171381117 384580109 /nfs/dbraw/zinc/58/01/09/384580109.db2.gz CGUZFBNCFWJDMQ-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1C[N@@H+](CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000171381117 384580118 /nfs/dbraw/zinc/58/01/18/384580118.db2.gz CGUZFBNCFWJDMQ-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@H+](CCO)Cc1csc(NC(C)=O)n1 ZINC000049754653 384563601 /nfs/dbraw/zinc/56/36/01/384563601.db2.gz GDVPYYCDYPYYLZ-UHFFFAOYSA-N 1 2 243.332 0.916 20 0 BCADLO CC[N@@H+](CCO)Cc1csc(NC(C)=O)n1 ZINC000049754653 384563609 /nfs/dbraw/zinc/56/36/09/384563609.db2.gz GDVPYYCDYPYYLZ-UHFFFAOYSA-N 1 2 243.332 0.916 20 0 BCADLO COC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000049801032 384567396 /nfs/dbraw/zinc/56/73/96/384567396.db2.gz HURYQDZMCSXABC-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C)c1nnc2ccccn21 ZINC000172612472 384607717 /nfs/dbraw/zinc/60/77/17/384607717.db2.gz WHYDQZVMMXLEQK-VIFPVBQESA-N 1 2 247.302 0.468 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCN(C)C(=O)C1 ZINC000172662342 384616210 /nfs/dbraw/zinc/61/62/10/384616210.db2.gz GGGZBPNYDFGRLH-UHFFFAOYSA-N 1 2 236.319 0.738 20 0 BCADLO C[C@H](CCO)CNC(=O)NCc1c[nH+]cn1C ZINC000360102390 384624900 /nfs/dbraw/zinc/62/49/00/384624900.db2.gz CREMOJNQUPHFDY-SECBINFHSA-N 1 2 240.307 0.238 20 0 BCADLO CCC[C@](C)([NH2+]CCC(=O)NC)C(=O)OC ZINC000111246805 384593431 /nfs/dbraw/zinc/59/34/31/384593431.db2.gz FIJWVPHJQZWBHA-NSHDSACASA-N 1 2 230.308 0.444 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080965010 384597705 /nfs/dbraw/zinc/59/77/05/384597705.db2.gz STQUJBCQOOSRGW-SNVBAGLBSA-N 1 2 236.319 0.823 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080965010 384597712 /nfs/dbraw/zinc/59/77/12/384597712.db2.gz STQUJBCQOOSRGW-SNVBAGLBSA-N 1 2 236.319 0.823 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)CCCO ZINC000300847862 384600807 /nfs/dbraw/zinc/60/08/07/384600807.db2.gz SDMQOUAVRYIVBV-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)CCCO ZINC000300847862 384600817 /nfs/dbraw/zinc/60/08/17/384600817.db2.gz SDMQOUAVRYIVBV-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO COCC[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408037138 384602417 /nfs/dbraw/zinc/60/24/17/384602417.db2.gz ZAGCXUMQCXJYSQ-JTQLQIEISA-N 1 2 240.307 0.313 20 0 BCADLO COCC[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408037138 384602423 /nfs/dbraw/zinc/60/24/23/384602423.db2.gz ZAGCXUMQCXJYSQ-JTQLQIEISA-N 1 2 240.307 0.313 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCc2ncccc2C1 ZINC000368326286 384665755 /nfs/dbraw/zinc/66/57/55/384665755.db2.gz CJPWLMYMFDSSMO-QMMMGPOBSA-N 1 2 248.286 0.023 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCc2ncccc2C1 ZINC000368326286 384665757 /nfs/dbraw/zinc/66/57/57/384665757.db2.gz CJPWLMYMFDSSMO-QMMMGPOBSA-N 1 2 248.286 0.023 20 0 BCADLO CCOC(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000046438027 384668040 /nfs/dbraw/zinc/66/80/40/384668040.db2.gz UTIBAOBEDJAYRO-UHFFFAOYSA-N 1 2 244.291 0.324 20 0 BCADLO C[C@@H]1CN(Cc2ccc[nH+]c2N)S(=O)(=O)C1 ZINC000378974790 384676366 /nfs/dbraw/zinc/67/63/66/384676366.db2.gz HAVFYJWQJQMQSK-MRVPVSSYSA-N 1 2 241.316 0.445 20 0 BCADLO CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309821393 384640328 /nfs/dbraw/zinc/64/03/28/384640328.db2.gz FREBXFLSRJNSJB-SSDOTTSWSA-N 1 2 242.291 0.265 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000361477189 384648081 /nfs/dbraw/zinc/64/80/81/384648081.db2.gz GJKIXSGCGXRIIU-QWRGUYRKSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000361477189 384648090 /nfs/dbraw/zinc/64/80/90/384648090.db2.gz GJKIXSGCGXRIIU-QWRGUYRKSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC000086443306 384649294 /nfs/dbraw/zinc/64/92/94/384649294.db2.gz HRJLYTJGCKVCBA-MRVPVSSYSA-N 1 2 216.306 0.582 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC000086443306 384649298 /nfs/dbraw/zinc/64/92/98/384649298.db2.gz HRJLYTJGCKVCBA-MRVPVSSYSA-N 1 2 216.306 0.582 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOC(C)C ZINC000102826486 384655010 /nfs/dbraw/zinc/65/50/10/384655010.db2.gz XTDKFAAVTZXOBQ-UHFFFAOYSA-N 1 2 203.282 0.953 20 0 BCADLO Cn1cccc1C(=O)NCc1[nH+]ccn1C ZINC000082268954 384657537 /nfs/dbraw/zinc/65/75/37/384657537.db2.gz QFWYCBSNOLBKHW-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO CN(CC(F)F)C(=O)NCc1c[nH+]cn1C ZINC000358119357 384658221 /nfs/dbraw/zinc/65/82/21/384658221.db2.gz OCNYKCSHGBOION-UHFFFAOYSA-N 1 2 232.234 0.827 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000487916649 533085190 /nfs/dbraw/zinc/08/51/90/533085190.db2.gz JZRZHGPHIGYFER-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CO[C@H](C)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000487916649 533085195 /nfs/dbraw/zinc/08/51/95/533085195.db2.gz JZRZHGPHIGYFER-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cn[nH]c1)CC2 ZINC000363677707 384683061 /nfs/dbraw/zinc/68/30/61/384683061.db2.gz RQJDNKRWSXUUNE-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000580114277 384684862 /nfs/dbraw/zinc/68/48/62/384684862.db2.gz PYPVVVRKEXSQAQ-NSHDSACASA-N 1 2 249.314 0.953 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000580114277 384684868 /nfs/dbraw/zinc/68/48/68/384684868.db2.gz PYPVVVRKEXSQAQ-NSHDSACASA-N 1 2 249.314 0.953 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCC(=O)OC ZINC000049949498 384688039 /nfs/dbraw/zinc/68/80/39/384688039.db2.gz OPDWLXAZOLLWPO-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCC(=O)OC ZINC000049949498 384688044 /nfs/dbraw/zinc/68/80/44/384688044.db2.gz OPDWLXAZOLLWPO-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(=O)n1C ZINC000533840827 384689917 /nfs/dbraw/zinc/68/99/17/384689917.db2.gz JFYWBCMGODVQNZ-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO COC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357947844 384701529 /nfs/dbraw/zinc/70/15/29/384701529.db2.gz HUZKPIMEOFLNHL-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC2(C)C)C1 ZINC000620076982 384738224 /nfs/dbraw/zinc/73/82/24/384738224.db2.gz BLWQXSBBVZGBCC-CABZTGNLSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC2(C)C)C1 ZINC000620076982 384738232 /nfs/dbraw/zinc/73/82/32/384738232.db2.gz BLWQXSBBVZGBCC-CABZTGNLSA-N 1 2 226.320 0.622 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358171406 384742701 /nfs/dbraw/zinc/74/27/01/384742701.db2.gz SPGSLXUQFJBZHU-RKDXNWHRSA-N 1 2 237.303 0.808 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358171406 384742705 /nfs/dbraw/zinc/74/27/05/384742705.db2.gz SPGSLXUQFJBZHU-RKDXNWHRSA-N 1 2 237.303 0.808 20 0 BCADLO NC(=O)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000531051646 384745356 /nfs/dbraw/zinc/74/53/56/384745356.db2.gz CEEVNQBZISYJDC-UHFFFAOYSA-N 1 2 244.254 0.891 20 0 BCADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108852751 384754634 /nfs/dbraw/zinc/75/46/34/384754634.db2.gz DDDMDYBXDXQPLH-UHFFFAOYSA-N 1 2 218.260 0.617 20 0 BCADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108852751 384754640 /nfs/dbraw/zinc/75/46/40/384754640.db2.gz DDDMDYBXDXQPLH-UHFFFAOYSA-N 1 2 218.260 0.617 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1cc[nH]n1 ZINC000557043028 384766257 /nfs/dbraw/zinc/76/62/57/384766257.db2.gz UQRFFNONUVADAI-NSHDSACASA-N 1 2 245.286 0.970 20 0 BCADLO CC[C@@H]([NH2+]CCc1cnccn1)C(=O)OC ZINC000310008518 384780435 /nfs/dbraw/zinc/78/04/35/384780435.db2.gz HSRCEAYEEDRLQY-SNVBAGLBSA-N 1 2 223.276 0.560 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)[nH]n1 ZINC000054056123 384819056 /nfs/dbraw/zinc/81/90/56/384819056.db2.gz LCDXAJZUJRPIHV-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000054056123 384819063 /nfs/dbraw/zinc/81/90/63/384819063.db2.gz LCDXAJZUJRPIHV-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO COC[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(=O)OC ZINC000308592523 384834864 /nfs/dbraw/zinc/83/48/64/384834864.db2.gz KXJIXBNRZAMRRN-VGMNWLOBSA-N 1 2 201.266 0.420 20 0 BCADLO CCC[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000308537458 384789937 /nfs/dbraw/zinc/78/99/37/384789937.db2.gz SXIQCJDASHKJJZ-IUCAKERBSA-N 1 2 203.282 0.953 20 0 BCADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000306672259 384799049 /nfs/dbraw/zinc/79/90/49/384799049.db2.gz AFKQODRDUDJMFA-JGVFFNPUSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1csnn1 ZINC000306672259 384799053 /nfs/dbraw/zinc/79/90/53/384799053.db2.gz AFKQODRDUDJMFA-JGVFFNPUSA-N 1 2 213.306 0.741 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCO[C@@H]1C ZINC000518215466 384804558 /nfs/dbraw/zinc/80/45/58/384804558.db2.gz RYWCSFSXDZWFBH-ZJUUUORDSA-N 1 2 237.303 0.944 20 0 BCADLO COC[C@H](C)[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000363505987 384807561 /nfs/dbraw/zinc/80/75/61/384807561.db2.gz DIRBXNCVFVFWHV-XQQFMLRXSA-N 1 2 242.363 0.552 20 0 BCADLO COC[C@H](C)[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000363505988 384808703 /nfs/dbraw/zinc/80/87/03/384808703.db2.gz DIRBXNCVFVFWHV-YNEHKIRRSA-N 1 2 242.363 0.552 20 0 BCADLO c1[nH]nc2c1C[N@H+](Cc1nnnn1C1CC1)CC2 ZINC000163470921 384810631 /nfs/dbraw/zinc/81/06/31/384810631.db2.gz QRQDPAZQDYSOER-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO c1[nH]nc2c1C[N@@H+](Cc1nnnn1C1CC1)CC2 ZINC000163470921 384810636 /nfs/dbraw/zinc/81/06/36/384810636.db2.gz QRQDPAZQDYSOER-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO C[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277652129 384810968 /nfs/dbraw/zinc/81/09/68/384810968.db2.gz YKSIAGHRHPDEOM-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO C[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277652129 384810974 /nfs/dbraw/zinc/81/09/74/384810974.db2.gz YKSIAGHRHPDEOM-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@](C)(O)C1 ZINC000360291165 384813883 /nfs/dbraw/zinc/81/38/83/384813883.db2.gz UGSGZLZKUZXIQT-NSHDSACASA-N 1 2 238.291 0.086 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)O ZINC000647390090 384869804 /nfs/dbraw/zinc/86/98/04/384869804.db2.gz QCCLSAVSBIVMHX-SNVBAGLBSA-N 1 2 239.319 0.628 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)O ZINC000647390089 384869980 /nfs/dbraw/zinc/86/99/80/384869980.db2.gz QCCLSAVSBIVMHX-JTQLQIEISA-N 1 2 239.319 0.628 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1cc(C)[nH]n1 ZINC000517246005 384870245 /nfs/dbraw/zinc/87/02/45/384870245.db2.gz IEBBMXMCPSTFBR-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)CO)c1 ZINC000517246371 384873905 /nfs/dbraw/zinc/87/39/05/384873905.db2.gz UBKKNLVFPCZQNU-UHFFFAOYSA-N 1 2 225.292 0.097 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CCCCNC1=O ZINC000105612409 384877228 /nfs/dbraw/zinc/87/72/28/384877228.db2.gz PHRNMNXFXXHGHR-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC2(C)C)C1 ZINC000531086514 384880696 /nfs/dbraw/zinc/88/06/96/384880696.db2.gz ISGMEYZBDIHKHR-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC2(C)C)C1 ZINC000531086514 384880706 /nfs/dbraw/zinc/88/07/06/384880706.db2.gz ISGMEYZBDIHKHR-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CC12CC2)[NH+]1CCOCC1 ZINC000335510924 384886655 /nfs/dbraw/zinc/88/66/55/384886655.db2.gz NDQXNHDQTKYGPI-SNVBAGLBSA-N 1 2 238.331 0.766 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCNC(=O)[C@H]1C ZINC000104693536 384839231 /nfs/dbraw/zinc/83/92/31/384839231.db2.gz CRKMNTAYJBALSR-SNVBAGLBSA-N 1 2 236.319 0.784 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000360143807 384847984 /nfs/dbraw/zinc/84/79/84/384847984.db2.gz RIFUJTOKPKFORZ-VHSXEESVSA-N 1 2 239.319 0.955 20 0 BCADLO C[C@H]1[C@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000336097935 384888673 /nfs/dbraw/zinc/88/86/73/384888673.db2.gz OSNVHUURTYOGKQ-UWVGGRQHSA-N 1 2 223.276 0.112 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)o1 ZINC000163781828 384859449 /nfs/dbraw/zinc/85/94/49/384859449.db2.gz OTJXRXBPRBEBHJ-GXSJLCMTSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)o1 ZINC000163781828 384859461 /nfs/dbraw/zinc/85/94/61/384859461.db2.gz OTJXRXBPRBEBHJ-GXSJLCMTSA-N 1 2 239.271 0.696 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1csnn1 ZINC000398253253 384864094 /nfs/dbraw/zinc/86/40/94/384864094.db2.gz XTWNCYCPXXMLIF-HTQZYQBOSA-N 1 2 240.332 0.857 20 0 BCADLO CCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000370825262 384950003 /nfs/dbraw/zinc/95/00/03/384950003.db2.gz ZHHSSNHCKQJVQY-NSHDSACASA-N 1 2 237.347 0.293 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C1CCOCC1 ZINC000531104977 384951838 /nfs/dbraw/zinc/95/18/38/384951838.db2.gz AMRNBWNQXMZSAP-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C1CCOCC1 ZINC000531104977 384951845 /nfs/dbraw/zinc/95/18/45/384951845.db2.gz AMRNBWNQXMZSAP-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1COCCN1C(=O)NCc1c[nH+]cn1C ZINC000291780523 384899884 /nfs/dbraw/zinc/89/98/84/384899884.db2.gz GAZPLDCHRPUKKJ-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000336267603 384901483 /nfs/dbraw/zinc/90/14/83/384901483.db2.gz ZHXDAMZAMBGTJK-NSHDSACASA-N 1 2 243.282 0.362 20 0 BCADLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000336267603 384901487 /nfs/dbraw/zinc/90/14/87/384901487.db2.gz ZHXDAMZAMBGTJK-NSHDSACASA-N 1 2 243.282 0.362 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000360185330 384903290 /nfs/dbraw/zinc/90/32/90/384903290.db2.gz YFVAFQWHIDLFBZ-BDAKNGLRSA-N 1 2 225.292 0.945 20 0 BCADLO CC(C)n1cc(C[NH2+][C@H](C)C(=O)N(C)C)nn1 ZINC000310213608 384905393 /nfs/dbraw/zinc/90/53/93/384905393.db2.gz KYWKMHQIOPNSCC-SECBINFHSA-N 1 2 239.323 0.425 20 0 BCADLO Cc1n[nH]c(C2CC[NH+]([C@@H](C)C(N)=O)CC2)n1 ZINC000361569652 384923186 /nfs/dbraw/zinc/92/31/86/384923186.db2.gz TUOLLRHVKLRMII-ZETCQYMHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc(C2CC[NH+]([C@@H](C)C(N)=O)CC2)n[nH]1 ZINC000361569652 384923194 /nfs/dbraw/zinc/92/31/94/384923194.db2.gz TUOLLRHVKLRMII-ZETCQYMHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc(C2CC[NH+]([C@@H](C)C(N)=O)CC2)[nH]1 ZINC000361569652 384923200 /nfs/dbraw/zinc/92/32/00/384923200.db2.gz TUOLLRHVKLRMII-ZETCQYMHSA-N 1 2 237.307 0.166 20 0 BCADLO COCc1cc(C[N@@H+]2CCC[C@H](O)C2)no1 ZINC000085222899 384927449 /nfs/dbraw/zinc/92/74/49/384927449.db2.gz LLHSPIUETCPFRM-JTQLQIEISA-N 1 2 226.276 0.778 20 0 BCADLO COCc1cc(C[N@H+]2CCC[C@H](O)C2)no1 ZINC000085222899 384927455 /nfs/dbraw/zinc/92/74/55/384927455.db2.gz LLHSPIUETCPFRM-JTQLQIEISA-N 1 2 226.276 0.778 20 0 BCADLO Cc1nsc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000301805285 384929010 /nfs/dbraw/zinc/92/90/10/384929010.db2.gz YCZDJHKLMQIQGL-SECBINFHSA-N 1 2 239.348 0.258 20 0 BCADLO CCc1cc(N)nc(SCCC(N)=O)[nH+]1 ZINC000279137398 384933405 /nfs/dbraw/zinc/93/34/05/384933405.db2.gz XMASGGCQUPDDGV-UHFFFAOYSA-N 1 2 226.305 0.589 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)OCC1CC1 ZINC000497280332 384934977 /nfs/dbraw/zinc/93/49/77/384934977.db2.gz VMRVAOJRQKEGKA-JTQLQIEISA-N 1 2 242.319 0.843 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)OCC1CC1 ZINC000497280332 384934984 /nfs/dbraw/zinc/93/49/84/384934984.db2.gz VMRVAOJRQKEGKA-JTQLQIEISA-N 1 2 242.319 0.843 20 0 BCADLO Cn1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000107056995 384946841 /nfs/dbraw/zinc/94/68/41/384946841.db2.gz BOCJQWRGFAZMJT-UHFFFAOYSA-N 1 2 234.263 0.438 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000557445812 384947552 /nfs/dbraw/zinc/94/75/52/384947552.db2.gz AMWRXGOIUFVQQI-JGZJWPJOSA-N 1 2 237.303 0.598 20 0 BCADLO Cc1nc(=NCc2c[nH+]cn2C(C)C)n(C)[nH]1 ZINC000644587954 384994228 /nfs/dbraw/zinc/99/42/28/384994228.db2.gz XBLHXYIUUIEFGW-UHFFFAOYSA-N 1 2 234.307 0.935 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1csnn1 ZINC000291865157 385022618 /nfs/dbraw/zinc/02/26/18/385022618.db2.gz KIABZHLJUMFHRW-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCOCCO)C(=O)OC ZINC000309993724 385008301 /nfs/dbraw/zinc/00/83/01/385008301.db2.gz BQRGEISTZISNFJ-NXEZZACHSA-N 1 2 233.308 0.173 20 0 BCADLO CSCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302823056 385010746 /nfs/dbraw/zinc/01/07/46/385010746.db2.gz FIDVZCFVXSJQSG-UHFFFAOYSA-N 1 2 238.320 0.720 20 0 BCADLO CCn1cc(C[N@H+](CC)CC(N)=O)cn1 ZINC000188064602 385010827 /nfs/dbraw/zinc/01/08/27/385010827.db2.gz LWKNKSKIUYTAQH-UHFFFAOYSA-N 1 2 210.281 0.210 20 0 BCADLO CCn1cc(C[N@@H+](CC)CC(N)=O)cn1 ZINC000188064602 385010833 /nfs/dbraw/zinc/01/08/33/385010833.db2.gz LWKNKSKIUYTAQH-UHFFFAOYSA-N 1 2 210.281 0.210 20 0 BCADLO C[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1nnc[nH]1 ZINC000226408276 385012560 /nfs/dbraw/zinc/01/25/60/385012560.db2.gz NTVMFKIFTBJEOK-SCZZXKLOSA-N 1 2 245.286 0.682 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000151082372 385083783 /nfs/dbraw/zinc/08/37/83/385083783.db2.gz OTMSXQJXQXBJEF-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000151082372 385083789 /nfs/dbraw/zinc/08/37/89/385083789.db2.gz OTMSXQJXQXBJEF-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO CC/C=C/CC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000364156362 385080661 /nfs/dbraw/zinc/08/06/61/385080661.db2.gz PFBXMPGZFRGTRP-SNAWJCMRSA-N 1 2 236.319 0.754 20 0 BCADLO CC/C=C/CC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000364156362 385080676 /nfs/dbraw/zinc/08/06/76/385080676.db2.gz PFBXMPGZFRGTRP-SNAWJCMRSA-N 1 2 236.319 0.754 20 0 BCADLO c1c[nH+]c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000152236917 385026387 /nfs/dbraw/zinc/02/63/87/385026387.db2.gz UJLOUXYVFLVMFC-WDEREUQCSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](CCO)CC(=O)OCc1ccccc1 ZINC000108359361 385034632 /nfs/dbraw/zinc/03/46/32/385034632.db2.gz LRVUAEJPNLFXBJ-UHFFFAOYSA-N 1 2 223.272 0.654 20 0 BCADLO C[N@@H+](CCO)CC(=O)OCc1ccccc1 ZINC000108359361 385034637 /nfs/dbraw/zinc/03/46/37/385034637.db2.gz LRVUAEJPNLFXBJ-UHFFFAOYSA-N 1 2 223.272 0.654 20 0 BCADLO Cc1nc2ccc(N(C)Cc3[nH]cc[nH+]3)nn2n1 ZINC000557603013 385035307 /nfs/dbraw/zinc/03/53/07/385035307.db2.gz NHNSPJKUFUZHFX-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000312988258 385043736 /nfs/dbraw/zinc/04/37/36/385043736.db2.gz BOPCOOQAVSSWDF-SFYZADRCSA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC000310412560 385044640 /nfs/dbraw/zinc/04/46/40/385044640.db2.gz MPBSCFMZKXJBJU-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC000310412560 385044644 /nfs/dbraw/zinc/04/46/44/385044644.db2.gz MPBSCFMZKXJBJU-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO Cc1nc(N2C[C@@H](C)C[C@H]2C)nc(N)[nH+]1 ZINC000308790181 385108751 /nfs/dbraw/zinc/10/87/51/385108751.db2.gz CPXWMXGOGORMMC-NKWVEPMBSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)C[C@H]2C)[nH+]1 ZINC000308790181 385108757 /nfs/dbraw/zinc/10/87/57/385108757.db2.gz CPXWMXGOGORMMC-NKWVEPMBSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)nn1C ZINC000646986352 385112245 /nfs/dbraw/zinc/11/22/45/385112245.db2.gz OSTBKILGUPBCFJ-SECBINFHSA-N 1 2 237.307 0.546 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)nn1C ZINC000646986352 385112247 /nfs/dbraw/zinc/11/22/47/385112247.db2.gz OSTBKILGUPBCFJ-SECBINFHSA-N 1 2 237.307 0.546 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@H](O)C2)c1Cl ZINC000236389979 385116697 /nfs/dbraw/zinc/11/66/97/385116697.db2.gz BYYMDOOHPRNHBD-RXMQYKEDSA-N 1 2 214.656 0.283 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@H](O)C2)c1Cl ZINC000236389979 385116702 /nfs/dbraw/zinc/11/67/02/385116702.db2.gz BYYMDOOHPRNHBD-RXMQYKEDSA-N 1 2 214.656 0.283 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000407951932 385125674 /nfs/dbraw/zinc/12/56/74/385125674.db2.gz KUEWSLQOPLOIRS-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000407951932 385125680 /nfs/dbraw/zinc/12/56/80/385125680.db2.gz KUEWSLQOPLOIRS-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1ccnc(NCCCn2cc[nH+]c2)c1=O ZINC000061749384 385133653 /nfs/dbraw/zinc/13/36/53/385133653.db2.gz HUUJGVNLSAMIQV-UHFFFAOYSA-N 1 2 233.275 0.479 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C)n1C ZINC000345847601 385137044 /nfs/dbraw/zinc/13/70/44/385137044.db2.gz ZHLRBKPUIGUQIN-SECBINFHSA-N 1 2 212.297 0.326 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C)n1C ZINC000345847601 385137049 /nfs/dbraw/zinc/13/70/49/385137049.db2.gz ZHLRBKPUIGUQIN-SECBINFHSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000407954645 385137955 /nfs/dbraw/zinc/13/79/55/385137955.db2.gz GDXNAFAGHBLISM-RKDXNWHRSA-N 1 2 236.275 0.088 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000407954645 385137964 /nfs/dbraw/zinc/13/79/64/385137964.db2.gz GDXNAFAGHBLISM-RKDXNWHRSA-N 1 2 236.275 0.088 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000157158936 385089188 /nfs/dbraw/zinc/08/91/88/385089188.db2.gz MRQMNGUOCOVWED-SNVBAGLBSA-N 1 2 235.287 0.862 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000157158936 385089191 /nfs/dbraw/zinc/08/91/91/385089191.db2.gz MRQMNGUOCOVWED-SNVBAGLBSA-N 1 2 235.287 0.862 20 0 BCADLO Cc1noc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000060613048 385091190 /nfs/dbraw/zinc/09/11/90/385091190.db2.gz DJTCFVHANRDCMM-UHFFFAOYSA-N 1 2 223.276 0.679 20 0 BCADLO C[C@@H](C(=O)N(C)Cc1nc[nH]n1)[NH+]1CC(C)C1 ZINC000557680494 385092930 /nfs/dbraw/zinc/09/29/30/385092930.db2.gz FLKZAJZHOZWMKD-VIFPVBQESA-N 1 2 237.307 0.103 20 0 BCADLO C[N@H+](Cc1cscn1)[C@H]1COC[C@@H]1O ZINC000306578305 385096373 /nfs/dbraw/zinc/09/63/73/385096373.db2.gz VUWFTWSGSLFTFS-IUCAKERBSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@H]1COC[C@@H]1O ZINC000306578305 385096381 /nfs/dbraw/zinc/09/63/81/385096381.db2.gz VUWFTWSGSLFTFS-IUCAKERBSA-N 1 2 214.290 0.335 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CCS1(=O)=O ZINC000407949336 385099642 /nfs/dbraw/zinc/09/96/42/385099642.db2.gz RBSNJDRCYCSQGH-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO Cc1nc(N2CCSC[C@H]2C)nc(N)[nH+]1 ZINC000308784592 385101553 /nfs/dbraw/zinc/10/15/53/385101553.db2.gz AMWARHLIGINBFL-ZCFIWIBFSA-N 1 2 225.321 0.704 20 0 BCADLO Cc1nc(N)nc(N2CCSC[C@H]2C)[nH+]1 ZINC000308784592 385101559 /nfs/dbraw/zinc/10/15/59/385101559.db2.gz AMWARHLIGINBFL-ZCFIWIBFSA-N 1 2 225.321 0.704 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1Cc1c[nH+]cn1C ZINC000407950006 385104082 /nfs/dbraw/zinc/10/40/82/385104082.db2.gz YDXDFTRGLQTREQ-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)C1CCOCC1 ZINC000530827680 385106474 /nfs/dbraw/zinc/10/64/74/385106474.db2.gz OLYHTISENKLAGO-UHFFFAOYSA-N 1 2 247.302 0.979 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000189923803 385198537 /nfs/dbraw/zinc/19/85/37/385198537.db2.gz ZPXUHKRKVAPLGR-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000189923803 385198542 /nfs/dbraw/zinc/19/85/42/385198542.db2.gz ZPXUHKRKVAPLGR-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)CO)CC1 ZINC000152348681 385146413 /nfs/dbraw/zinc/14/64/13/385146413.db2.gz KYQJMZLVYGQGOM-LLVKDONJSA-N 1 2 249.314 0.279 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@](C)(O)C2)n1C1CC1 ZINC000177968597 385146813 /nfs/dbraw/zinc/14/68/13/385146813.db2.gz SAJBKBGNWBKVEE-LBPRGKRZSA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@](C)(O)C2)n1C1CC1 ZINC000177968597 385146823 /nfs/dbraw/zinc/14/68/23/385146823.db2.gz SAJBKBGNWBKVEE-LBPRGKRZSA-N 1 2 236.319 0.878 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000106879963 385163740 /nfs/dbraw/zinc/16/37/40/385163740.db2.gz RNSKOVUXTRDFOK-JTQLQIEISA-N 1 2 222.288 0.929 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000106879963 385163743 /nfs/dbraw/zinc/16/37/43/385163743.db2.gz RNSKOVUXTRDFOK-JTQLQIEISA-N 1 2 222.288 0.929 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000177002078 385164725 /nfs/dbraw/zinc/16/47/25/385164725.db2.gz OFOSUEXYDOTMKT-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cncc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000177002078 385164734 /nfs/dbraw/zinc/16/47/34/385164734.db2.gz OFOSUEXYDOTMKT-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000177002097 385165609 /nfs/dbraw/zinc/16/56/09/385165609.db2.gz OFOSUEXYDOTMKT-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cncc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000177002097 385165616 /nfs/dbraw/zinc/16/56/16/385165616.db2.gz OFOSUEXYDOTMKT-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO C[C@@]1([NH2+]C[C@H]2CCC=CO2)CCOC1=O ZINC000291049415 385173290 /nfs/dbraw/zinc/17/32/90/385173290.db2.gz ZUDNHTZJXQKHAA-MWLCHTKSSA-N 1 2 211.261 0.974 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000178009544 385173515 /nfs/dbraw/zinc/17/35/15/385173515.db2.gz YAJNYSHQVIARIZ-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000178009544 385173522 /nfs/dbraw/zinc/17/35/22/385173522.db2.gz YAJNYSHQVIARIZ-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000530937274 385180282 /nfs/dbraw/zinc/18/02/82/385180282.db2.gz LQYFTGXBEOKWKR-JTQLQIEISA-N 1 2 247.302 0.537 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000107823662 385213357 /nfs/dbraw/zinc/21/33/57/385213357.db2.gz IPMZVFQTLFUUQA-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000107823662 385213361 /nfs/dbraw/zinc/21/33/61/385213361.db2.gz IPMZVFQTLFUUQA-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cccn2C)CC1 ZINC000153127810 385238732 /nfs/dbraw/zinc/23/87/32/385238732.db2.gz MONZNHVDTNSJQT-UHFFFAOYSA-N 1 2 221.304 0.689 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000647079443 385240678 /nfs/dbraw/zinc/24/06/78/385240678.db2.gz JJOOWBNBSVSASP-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO Cc1cn[nH]c1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000308877680 385242488 /nfs/dbraw/zinc/24/24/88/385242488.db2.gz SRYKTCKSUPWKED-MRVPVSSYSA-N 1 2 231.321 0.241 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000308877680 385242490 /nfs/dbraw/zinc/24/24/90/385242490.db2.gz SRYKTCKSUPWKED-MRVPVSSYSA-N 1 2 231.321 0.241 20 0 BCADLO CN(CCOCCO)c1nc[nH+]c(N)c1Cl ZINC000301052528 385249217 /nfs/dbraw/zinc/24/92/17/385249217.db2.gz WJPKSZPJQJBTGU-UHFFFAOYSA-N 1 2 246.698 0.157 20 0 BCADLO CN(CCOCCO)c1[nH+]cnc(N)c1Cl ZINC000301052528 385249222 /nfs/dbraw/zinc/24/92/22/385249222.db2.gz WJPKSZPJQJBTGU-UHFFFAOYSA-N 1 2 246.698 0.157 20 0 BCADLO COC1(C)CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000336397410 385253499 /nfs/dbraw/zinc/25/34/99/385253499.db2.gz OVEISBUYYISZJM-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cn[nH]c1 ZINC000308825759 385204050 /nfs/dbraw/zinc/20/40/50/385204050.db2.gz RJMQMOQGUNTADP-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cc[nH]n1 ZINC000191570350 385308252 /nfs/dbraw/zinc/30/82/52/385308252.db2.gz GGNFCVRTPQNTSI-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cc[nH]n1 ZINC000191570350 385308255 /nfs/dbraw/zinc/30/82/55/385308255.db2.gz GGNFCVRTPQNTSI-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO C[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227841082 385308433 /nfs/dbraw/zinc/30/84/33/385308433.db2.gz RZHSGHKXGHWIPK-BYPYZUCNSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227841082 385308440 /nfs/dbraw/zinc/30/84/40/385308440.db2.gz RZHSGHKXGHWIPK-BYPYZUCNSA-N 1 2 202.645 0.505 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1nccs1 ZINC000330731300 385309343 /nfs/dbraw/zinc/30/93/43/385309343.db2.gz IYEZHOMCKWIDCF-SNVBAGLBSA-N 1 2 244.316 0.499 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1nccs1 ZINC000330731300 385309346 /nfs/dbraw/zinc/30/93/46/385309346.db2.gz IYEZHOMCKWIDCF-SNVBAGLBSA-N 1 2 244.316 0.499 20 0 BCADLO COCC(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000157934447 385311741 /nfs/dbraw/zinc/31/17/41/385311741.db2.gz VWCXSWKELSWIBH-UHFFFAOYSA-N 1 2 244.335 0.107 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)C(C)C ZINC000308903199 385274801 /nfs/dbraw/zinc/27/48/01/385274801.db2.gz CNYYPCJIIGGOKG-SECBINFHSA-N 1 2 217.309 0.935 20 0 BCADLO CC(C)n1nccc1C(=O)N1CC[NH+](C)CC1 ZINC000130713421 385280078 /nfs/dbraw/zinc/28/00/78/385280078.db2.gz YOMVBCVTNXDQAR-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO COC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000280358564 385296546 /nfs/dbraw/zinc/29/65/46/385296546.db2.gz XHWRHJOJKICFCV-VIFPVBQESA-N 1 2 223.276 0.773 20 0 BCADLO CCO[C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000625449795 385301053 /nfs/dbraw/zinc/30/10/53/385301053.db2.gz HPYVIPGDIGFPDO-NSHDSACASA-N 1 2 237.303 0.884 20 0 BCADLO CCO[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000625449794 385301735 /nfs/dbraw/zinc/30/17/35/385301735.db2.gz HPYVIPGDIGFPDO-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]cn2C)c(C)o1 ZINC000334365487 385330206 /nfs/dbraw/zinc/33/02/06/385330206.db2.gz HVHWEQYAOQKNBU-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000308987624 385335073 /nfs/dbraw/zinc/33/50/73/385335073.db2.gz MNLXXBJLZMQQPG-IONNQARKSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000308987624 385335074 /nfs/dbraw/zinc/33/50/74/385335074.db2.gz MNLXXBJLZMQQPG-IONNQARKSA-N 1 2 210.281 0.316 20 0 BCADLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000178184154 385341206 /nfs/dbraw/zinc/34/12/06/385341206.db2.gz UQKMLFQWKCAFNT-ZDUSSCGKSA-N 1 2 245.326 0.697 20 0 BCADLO Cn1cc(Cl)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000178209955 385346154 /nfs/dbraw/zinc/34/61/54/385346154.db2.gz IZYDKDNYNASFLU-SNVBAGLBSA-N 1 2 241.722 0.999 20 0 BCADLO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000178209955 385346157 /nfs/dbraw/zinc/34/61/57/385346157.db2.gz IZYDKDNYNASFLU-SNVBAGLBSA-N 1 2 241.722 0.999 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](CC(=O)N(C)C)C1CCC1 ZINC000192384570 385355601 /nfs/dbraw/zinc/35/56/01/385355601.db2.gz UKIMOOVKVWZRGQ-SECBINFHSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](CC(=O)N(C)C)C1CCC1 ZINC000192384570 385355604 /nfs/dbraw/zinc/35/56/04/385355604.db2.gz UKIMOOVKVWZRGQ-SECBINFHSA-N 1 2 242.319 0.491 20 0 BCADLO Cn1cc(C(=O)NCc2c[nH+]c[nH]2)c(C2CC2)n1 ZINC000643992322 385360313 /nfs/dbraw/zinc/36/03/13/385360313.db2.gz VBFLWVBYSBCHCN-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1cc(C(=O)NCc2c[nH]c[nH+]2)c(C2CC2)n1 ZINC000643992322 385360319 /nfs/dbraw/zinc/36/03/19/385360319.db2.gz VBFLWVBYSBCHCN-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cc1cnoc1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000364335748 385364051 /nfs/dbraw/zinc/36/40/51/385364051.db2.gz ARVBIVLCFHGSSC-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cc1ccc(NC(=O)C(=O)N(C)C)c(C)[nH+]1 ZINC000154900574 385364721 /nfs/dbraw/zinc/36/47/21/385364721.db2.gz OGYAXAFPPFAMCS-UHFFFAOYSA-N 1 2 221.260 0.725 20 0 BCADLO CC(C)c1nc(NC(CO)CO)cc[nH+]1 ZINC000309014447 385369092 /nfs/dbraw/zinc/36/90/92/385369092.db2.gz TVTYGGOJWOEYFV-UHFFFAOYSA-N 1 2 211.265 0.365 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000179357607 385374978 /nfs/dbraw/zinc/37/49/78/385374978.db2.gz FKJHOABBIPUWJG-LBPRGKRZSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000179357607 385374984 /nfs/dbraw/zinc/37/49/84/385374984.db2.gz FKJHOABBIPUWJG-LBPRGKRZSA-N 1 2 238.335 0.953 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000309028781 385378792 /nfs/dbraw/zinc/37/87/92/385378792.db2.gz CIJOYWXNTULWBU-RKDXNWHRSA-N 1 2 212.297 0.891 20 0 BCADLO CCc1nn(C)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000180207419 385385022 /nfs/dbraw/zinc/38/50/22/385385022.db2.gz PYDQVSKMOQPUHR-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO C[C@@H](CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178587295 385394432 /nfs/dbraw/zinc/39/44/32/385394432.db2.gz JYEMMIIKNILIJO-SECBINFHSA-N 1 2 233.271 0.693 20 0 BCADLO COCCCOCC[N@H+](C)Cc1ncnn1C ZINC000180722617 385395313 /nfs/dbraw/zinc/39/53/13/385395313.db2.gz RGTGXTXTUQXUSZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1ncnn1C ZINC000180722617 385395319 /nfs/dbraw/zinc/39/53/19/385395319.db2.gz RGTGXTXTUQXUSZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309059335 385396307 /nfs/dbraw/zinc/39/63/07/385396307.db2.gz NYYZYNIHFGQQQS-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309059335 385396309 /nfs/dbraw/zinc/39/63/09/385396309.db2.gz NYYZYNIHFGQQQS-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO C=Cn1cc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000193633078 385404878 /nfs/dbraw/zinc/40/48/78/385404878.db2.gz DJSSQFWNYPUFPU-UHFFFAOYSA-N 1 2 236.319 0.940 20 0 BCADLO C=Cn1cc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000193633078 385404883 /nfs/dbraw/zinc/40/48/83/385404883.db2.gz DJSSQFWNYPUFPU-UHFFFAOYSA-N 1 2 236.319 0.940 20 0 BCADLO C[C@@H](O)[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166042747 385442186 /nfs/dbraw/zinc/44/21/86/385442186.db2.gz KZXSYURDBIATNP-MWLCHTKSSA-N 1 2 222.288 0.781 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000156382433 385449592 /nfs/dbraw/zinc/44/95/92/385449592.db2.gz YZLSHCNFUFVXDX-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000156382433 385449597 /nfs/dbraw/zinc/44/95/97/385449597.db2.gz YZLSHCNFUFVXDX-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO C[N@H+](CCCS(N)(=O)=O)Cc1cscn1 ZINC000170914024 385455871 /nfs/dbraw/zinc/45/58/71/385455871.db2.gz IGAQWCCFILIUNQ-UHFFFAOYSA-N 1 2 249.361 0.254 20 0 BCADLO C[N@@H+](CCCS(N)(=O)=O)Cc1cscn1 ZINC000170914024 385455874 /nfs/dbraw/zinc/45/58/74/385455874.db2.gz IGAQWCCFILIUNQ-UHFFFAOYSA-N 1 2 249.361 0.254 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)oc1C ZINC000408024745 385427446 /nfs/dbraw/zinc/42/74/46/385427446.db2.gz GSAQRCAAQJBFHZ-SECBINFHSA-N 1 2 238.291 0.534 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](NC(N)=O)C2)oc1C ZINC000408024745 385427450 /nfs/dbraw/zinc/42/74/50/385427450.db2.gz GSAQRCAAQJBFHZ-SECBINFHSA-N 1 2 238.291 0.534 20 0 BCADLO CS[C@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194441318 385435102 /nfs/dbraw/zinc/43/51/02/385435102.db2.gz HTMWQOCXZPPNAF-VIFPVBQESA-N 1 2 241.364 0.928 20 0 BCADLO CS[C@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194441318 385435104 /nfs/dbraw/zinc/43/51/04/385435104.db2.gz HTMWQOCXZPPNAF-VIFPVBQESA-N 1 2 241.364 0.928 20 0 BCADLO CC[N@H+](C/C=C/Cl)[C@@H]1CCNC1=O ZINC000281514024 385435983 /nfs/dbraw/zinc/43/59/83/385435983.db2.gz AHANQPBXNIOYOA-RYEJSQLPSA-N 1 2 202.685 0.949 20 0 BCADLO CC[N@@H+](C/C=C/Cl)[C@@H]1CCNC1=O ZINC000281514024 385435986 /nfs/dbraw/zinc/43/59/86/385435986.db2.gz AHANQPBXNIOYOA-RYEJSQLPSA-N 1 2 202.685 0.949 20 0 BCADLO COCC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000282011264 385475187 /nfs/dbraw/zinc/47/51/87/385475187.db2.gz XVQCOQSOAANVRG-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO C[C@@H](CO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179311379 385459727 /nfs/dbraw/zinc/45/97/27/385459727.db2.gz MNXVBKMLBCZXKG-VIFPVBQESA-N 1 2 233.271 0.787 20 0 BCADLO COC[C@](C)([NH2+]CC1CCC1)C(=O)OC ZINC000182594490 385459840 /nfs/dbraw/zinc/45/98/40/385459840.db2.gz DDJHPZRPQHIASZ-NSHDSACASA-N 1 2 215.293 0.954 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccon1 ZINC000492904254 385460033 /nfs/dbraw/zinc/46/00/33/385460033.db2.gz WDYYBXYXDOYGMK-UPHRSURJSA-N 1 2 232.243 0.770 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)C1 ZINC000179840759 385493727 /nfs/dbraw/zinc/49/37/27/385493727.db2.gz FHEWLJXVILQBNE-UHFFFAOYSA-N 1 2 234.259 0.354 20 0 BCADLO O=C(C[NH+]1Cc2ccccc2C1)N1CCOCC1 ZINC000106304878 385503659 /nfs/dbraw/zinc/50/36/59/385503659.db2.gz KGQNSXXSOWCKSA-UHFFFAOYSA-N 1 2 246.310 0.861 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)CCOCCO ZINC000302334945 385514189 /nfs/dbraw/zinc/51/41/89/385514189.db2.gz INUQSTYYRQUMSE-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)CCOCCO ZINC000302334945 385514191 /nfs/dbraw/zinc/51/41/91/385514191.db2.gz INUQSTYYRQUMSE-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CC(C)CCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000364854700 385529864 /nfs/dbraw/zinc/52/98/64/385529864.db2.gz OTFWCUNOZCETMJ-UHFFFAOYSA-N 1 2 238.335 0.834 20 0 BCADLO CC(C)CCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000364854700 385529867 /nfs/dbraw/zinc/52/98/67/385529867.db2.gz OTFWCUNOZCETMJ-UHFFFAOYSA-N 1 2 238.335 0.834 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)C1CC1 ZINC000493164252 385540766 /nfs/dbraw/zinc/54/07/66/385540766.db2.gz VHGFZKJZKHSGAE-RJRFIUFISA-N 1 2 221.260 0.406 20 0 BCADLO C[C@@]1([NH2+]CCc2ccncc2)CCOC1=O ZINC000289456315 385545777 /nfs/dbraw/zinc/54/57/77/385545777.db2.gz GBAOQWLZAPLWEU-GFCCVEGCSA-N 1 2 220.272 0.919 20 0 BCADLO C[C@]1([NH2+]CCc2ccncc2)CCOC1=O ZINC000289456317 385545864 /nfs/dbraw/zinc/54/58/64/385545864.db2.gz GBAOQWLZAPLWEU-LBPRGKRZSA-N 1 2 220.272 0.919 20 0 BCADLO CCCCOCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934030 385546029 /nfs/dbraw/zinc/54/60/29/385546029.db2.gz FKFPRUXLQDADLY-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCOCC[N@H+]1CCNC(=O)[C@H]1C ZINC000106934030 385546033 /nfs/dbraw/zinc/54/60/33/385546033.db2.gz FKFPRUXLQDADLY-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@H]2C[C@H]21 ZINC000644141438 385522913 /nfs/dbraw/zinc/52/29/13/385522913.db2.gz YWLICUOKXBNWRA-BDAKNGLRSA-N 1 2 236.275 0.103 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nccs1 ZINC000282221126 385523898 /nfs/dbraw/zinc/52/38/98/385523898.db2.gz YSKFDHOOTKAXGY-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nccs1 ZINC000282221126 385523901 /nfs/dbraw/zinc/52/39/01/385523901.db2.gz YSKFDHOOTKAXGY-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@H]2CCCCN12 ZINC000302443608 385525339 /nfs/dbraw/zinc/52/53/39/385525339.db2.gz NSPCNJLXXYZCRA-GHMZBOCLSA-N 1 2 234.303 0.653 20 0 BCADLO COC(=O)C[N@H+](C)CCc1nccs1 ZINC000157832102 385525776 /nfs/dbraw/zinc/52/57/76/385525776.db2.gz PNYOKCGLWOKJID-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157832102 385525780 /nfs/dbraw/zinc/52/57/80/385525780.db2.gz PNYOKCGLWOKJID-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC000408153817 385574222 /nfs/dbraw/zinc/57/42/22/385574222.db2.gz FYUZSXOAEMDHMB-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC000408153817 385574226 /nfs/dbraw/zinc/57/42/26/385574226.db2.gz FYUZSXOAEMDHMB-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC000408154635 385575023 /nfs/dbraw/zinc/57/50/23/385575023.db2.gz LOFJJROHKZVJFN-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1[C@@H](O)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493298018 385560215 /nfs/dbraw/zinc/56/02/15/385560215.db2.gz FGMGYCKXJXNLLL-CFUOYWMPSA-N 1 2 235.287 0.795 20 0 BCADLO Cc1ccc(NC(=O)NC[C@@H](O)CO)c(C)[nH+]1 ZINC000181232551 385567564 /nfs/dbraw/zinc/56/75/64/385567564.db2.gz KHGWRXBKVUTSMT-SECBINFHSA-N 1 2 239.275 0.173 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@H](O)C1 ZINC000493425414 385573661 /nfs/dbraw/zinc/57/36/61/385573661.db2.gz PLINKOVIXGHXBU-QRGHLMKCSA-N 1 2 249.314 0.900 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCC[NH+]2CCC2)c1 ZINC000337328543 385599070 /nfs/dbraw/zinc/59/90/70/385599070.db2.gz YVOUHJRTNCVWME-UHFFFAOYSA-N 1 2 235.287 0.653 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)C[C@H]1CO ZINC000408196158 385600114 /nfs/dbraw/zinc/60/01/14/385600114.db2.gz YLNBLBPGADETFL-UWVGGRQHSA-N 1 2 247.298 0.505 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1[nH+]ccn1C ZINC000280752554 385602224 /nfs/dbraw/zinc/60/22/24/385602224.db2.gz PSNUPXSKMGFPTJ-NSHDSACASA-N 1 2 225.292 0.851 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1csnn1 ZINC000647909168 385602241 /nfs/dbraw/zinc/60/22/41/385602241.db2.gz RFTYJBXQTCCIRW-HTQZYQBOSA-N 1 2 238.320 0.869 20 0 BCADLO CCO/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000493570171 385583815 /nfs/dbraw/zinc/58/38/15/385583815.db2.gz XVPAMZIJRVVKQV-VUQUXZKVSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000493570171 385583821 /nfs/dbraw/zinc/58/38/21/385583821.db2.gz XVPAMZIJRVVKQV-VUQUXZKVSA-N 1 2 242.319 0.374 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C(=O)O1 ZINC000493599421 385585828 /nfs/dbraw/zinc/58/58/28/385585828.db2.gz SJTACQASYRTQSY-TZIBCRCASA-N 1 2 235.243 0.243 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000365668803 385590534 /nfs/dbraw/zinc/59/05/34/385590534.db2.gz YZXXLHQVJRQXOQ-LLVKDONJSA-N 1 2 236.319 0.235 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000365668803 385590538 /nfs/dbraw/zinc/59/05/38/385590538.db2.gz YZXXLHQVJRQXOQ-LLVKDONJSA-N 1 2 236.319 0.235 20 0 BCADLO NC(=O)[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000408198345 385613788 /nfs/dbraw/zinc/61/37/88/385613788.db2.gz MNMNJMYAQVAHPD-QWRGUYRKSA-N 1 2 242.319 0.132 20 0 BCADLO NC(=O)[C@@H]1COCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000408198345 385613794 /nfs/dbraw/zinc/61/37/94/385613794.db2.gz MNMNJMYAQVAHPD-QWRGUYRKSA-N 1 2 242.319 0.132 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2CCNC(=O)CC2)cn1 ZINC000408373366 385615364 /nfs/dbraw/zinc/61/53/64/385615364.db2.gz GPSFYFFDCKXLNS-SNVBAGLBSA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2CCNC(=O)CC2)cn1 ZINC000408373366 385615366 /nfs/dbraw/zinc/61/53/66/385615366.db2.gz GPSFYFFDCKXLNS-SNVBAGLBSA-N 1 2 234.303 0.668 20 0 BCADLO CON(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365166266 385624501 /nfs/dbraw/zinc/62/45/01/385624501.db2.gz XXXGKWFAYAPFDW-LLVKDONJSA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365166266 385624509 /nfs/dbraw/zinc/62/45/09/385624509.db2.gz XXXGKWFAYAPFDW-LLVKDONJSA-N 1 2 242.319 0.650 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000595505282 385631710 /nfs/dbraw/zinc/63/17/10/385631710.db2.gz PQCINGUPOKFKTI-LPEHRKFASA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@@H]1C ZINC000595505282 385631713 /nfs/dbraw/zinc/63/17/13/385631713.db2.gz PQCINGUPOKFKTI-LPEHRKFASA-N 1 2 243.303 0.821 20 0 BCADLO Cn1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)nn1 ZINC000309482965 385607919 /nfs/dbraw/zinc/60/79/19/385607919.db2.gz FFBIRBBCMKBAQQ-SSDOTTSWSA-N 1 2 238.213 0.218 20 0 BCADLO COC(=O)[C@H]([NH2+]CCCNC(C)=O)C1CC1 ZINC000309481694 385608320 /nfs/dbraw/zinc/60/83/20/385608320.db2.gz UCEGXLWLACMYSF-SNVBAGLBSA-N 1 2 228.292 0.054 20 0 BCADLO CC(C)n1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000340059580 385609967 /nfs/dbraw/zinc/60/99/67/385609967.db2.gz QQVVVBRFROGOPY-UHFFFAOYSA-N 1 2 248.290 0.854 20 0 BCADLO NC(=O)[C@@H]1COCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000408198344 385613643 /nfs/dbraw/zinc/61/36/43/385613643.db2.gz MNMNJMYAQVAHPD-MNOVXSKESA-N 1 2 242.319 0.132 20 0 BCADLO NC(=O)[C@@H]1COCC[N@H+]1CC[C@H]1CCCCO1 ZINC000408198344 385613646 /nfs/dbraw/zinc/61/36/46/385613646.db2.gz MNMNJMYAQVAHPD-MNOVXSKESA-N 1 2 242.319 0.132 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCOC2)c[nH+]1 ZINC000270061417 385665335 /nfs/dbraw/zinc/66/53/35/385665335.db2.gz BFKRSNUWNYIPSG-JTQLQIEISA-N 1 2 209.249 0.627 20 0 BCADLO CC[NH+](CC)CC(=O)N1CCc2[nH]nnc2C1 ZINC000337414614 385645831 /nfs/dbraw/zinc/64/58/31/385645831.db2.gz SMVCDMUGQSOPMN-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO C[C@H]1C[N@H+](CCSc2nncn2C)CCO1 ZINC000188207697 385666336 /nfs/dbraw/zinc/66/63/36/385666336.db2.gz MIALLAHGNFRQSU-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO Cc1nnccc1C(=O)NCc1[nH+]ccn1C ZINC000269926706 385647057 /nfs/dbraw/zinc/64/70/57/385647057.db2.gz HRROTNJAFWFSDM-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1CCNC1=O ZINC000340081410 385647914 /nfs/dbraw/zinc/64/79/14/385647914.db2.gz RTMVNTAKUBXREA-GFCCVEGCSA-N 1 2 242.282 0.955 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2nncn2C)CCO1 ZINC000188207697 385666343 /nfs/dbraw/zinc/66/63/43/385666343.db2.gz MIALLAHGNFRQSU-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO CC(C)[N@H+](CC(=O)N(C)C)C1COC1 ZINC000451119724 385660243 /nfs/dbraw/zinc/66/02/43/385660243.db2.gz GYVHWSUTLGXWNQ-UHFFFAOYSA-N 1 2 200.282 0.184 20 0 BCADLO CC(C)[N@@H+](CC(=O)N(C)C)C1COC1 ZINC000451119724 385660248 /nfs/dbraw/zinc/66/02/48/385660248.db2.gz GYVHWSUTLGXWNQ-UHFFFAOYSA-N 1 2 200.282 0.184 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)CCCO)c[nH+]1 ZINC000270125979 385673072 /nfs/dbraw/zinc/67/30/72/385673072.db2.gz RYPLQTHUFBMSAO-ZETCQYMHSA-N 1 2 211.265 0.609 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000309536055 385675965 /nfs/dbraw/zinc/67/59/65/385675965.db2.gz FAPTWNRUJHUZGE-XINAWCOVSA-N 1 2 239.197 0.952 20 0 BCADLO O=C(/C=C/C1CC1)NCC[NH+]1CCOCC1 ZINC000253464422 385676629 /nfs/dbraw/zinc/67/66/29/385676629.db2.gz RJQIZPDMSSSXMS-ONEGZZNKSA-N 1 2 224.304 0.401 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281504463 385677693 /nfs/dbraw/zinc/67/76/93/385677693.db2.gz GGPHGTXECBVYSI-IUCAKERBSA-N 1 2 225.292 0.882 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281504463 385677696 /nfs/dbraw/zinc/67/76/96/385677696.db2.gz GGPHGTXECBVYSI-IUCAKERBSA-N 1 2 225.292 0.882 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]1C ZINC000645218072 385679499 /nfs/dbraw/zinc/67/94/99/385679499.db2.gz BJGJEJJTPVJJFT-SFYZADRCSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]1C ZINC000645218072 385679503 /nfs/dbraw/zinc/67/95/03/385679503.db2.gz BJGJEJJTPVJJFT-SFYZADRCSA-N 1 2 247.302 0.909 20 0 BCADLO CC(C)n1ccc(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000309555438 385683321 /nfs/dbraw/zinc/68/33/21/385683321.db2.gz JOCUFFMXYLDBIV-UHFFFAOYSA-N 1 2 222.292 0.572 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000184737664 385709034 /nfs/dbraw/zinc/70/90/34/385709034.db2.gz YJPONFHBNNULTJ-DTWKUNHWSA-N 1 2 231.292 0.727 20 0 BCADLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000309576570 385709397 /nfs/dbraw/zinc/70/93/97/385709397.db2.gz PBZVJFJZKVOFFU-IUCAKERBSA-N 1 2 225.296 0.257 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCSC1 ZINC000494998382 385670651 /nfs/dbraw/zinc/67/06/51/385670651.db2.gz PCQGNIFNNTXKSN-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCSC1 ZINC000494998382 385670656 /nfs/dbraw/zinc/67/06/56/385670656.db2.gz PCQGNIFNNTXKSN-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO Cc1cc(N[C@@H](C)C(N)=O)nc(C2CC2)[nH+]1 ZINC000116260442 385671592 /nfs/dbraw/zinc/67/15/92/385671592.db2.gz DZBHZQKTTFHKLI-ZETCQYMHSA-N 1 2 220.276 0.948 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000336692518 385733265 /nfs/dbraw/zinc/73/32/65/385733265.db2.gz HWEBPWZRRCGUGN-QMMMGPOBSA-N 1 2 241.291 0.122 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000336692518 385733269 /nfs/dbraw/zinc/73/32/69/385733269.db2.gz HWEBPWZRRCGUGN-QMMMGPOBSA-N 1 2 241.291 0.122 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2CC(=O)N(C)C2)n1C ZINC000336724699 385744238 /nfs/dbraw/zinc/74/42/38/385744238.db2.gz BGDJIRPDQCYBMG-SECBINFHSA-N 1 2 222.292 0.049 20 0 BCADLO c1cc(N2C[C@@H]3COC[C@H](C2)O3)nc(C2CC2)[nH+]1 ZINC000337791091 385786292 /nfs/dbraw/zinc/78/62/92/385786292.db2.gz CXLTXPRCUJTYQG-PHIMTYICSA-N 1 2 247.298 0.958 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000122729897 385755556 /nfs/dbraw/zinc/75/55/56/385755556.db2.gz TYOLXFURXQKTDR-NXEZZACHSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000122729897 385755560 /nfs/dbraw/zinc/75/55/60/385755560.db2.gz TYOLXFURXQKTDR-NXEZZACHSA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305828125 385757916 /nfs/dbraw/zinc/75/79/16/385757916.db2.gz UDFACDYNBJWFEK-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305828125 385757922 /nfs/dbraw/zinc/75/79/22/385757922.db2.gz UDFACDYNBJWFEK-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncc(F)cn1 ZINC000270967611 385764537 /nfs/dbraw/zinc/76/45/37/385764537.db2.gz SFTJKVJGTGJTAE-UHFFFAOYSA-N 1 2 221.239 0.986 20 0 BCADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000309673235 385787218 /nfs/dbraw/zinc/78/72/18/385787218.db2.gz WXYBAMOCADAJHP-MNOVXSKESA-N 1 2 225.292 0.693 20 0 BCADLO CC(C)n1ccc(C[N@H+](C)CCOCCO)n1 ZINC000282529074 385768572 /nfs/dbraw/zinc/76/85/72/385768572.db2.gz QCECIUQAIHXLJE-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO CC(C)n1ccc(C[N@@H+](C)CCOCCO)n1 ZINC000282529074 385768574 /nfs/dbraw/zinc/76/85/74/385768574.db2.gz QCECIUQAIHXLJE-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO NC(C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000353463080 385772932 /nfs/dbraw/zinc/77/29/32/385772932.db2.gz VDNMJXTUZLCJIP-QMMMGPOBSA-N 1 2 247.220 0.973 20 0 BCADLO N[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000353463080 385772936 /nfs/dbraw/zinc/77/29/36/385772936.db2.gz VDNMJXTUZLCJIP-QMMMGPOBSA-N 1 2 247.220 0.973 20 0 BCADLO C[N@H+](CC(N)=O)CC1=Cc2ccccc2OC1 ZINC000271034584 385774370 /nfs/dbraw/zinc/77/43/70/385774370.db2.gz FOUHMJFRMHFHOW-UHFFFAOYSA-N 1 2 232.283 0.880 20 0 BCADLO C[N@@H+](CC(N)=O)CC1=Cc2ccccc2OC1 ZINC000271034584 385774373 /nfs/dbraw/zinc/77/43/73/385774373.db2.gz FOUHMJFRMHFHOW-UHFFFAOYSA-N 1 2 232.283 0.880 20 0 BCADLO CC(C)[C@@H](NC(=O)c1cnnn1C)c1[nH]cc[nH+]1 ZINC000282969458 385799201 /nfs/dbraw/zinc/79/92/01/385799201.db2.gz JGBXHPAJXSGVDD-SECBINFHSA-N 1 2 248.290 0.665 20 0 BCADLO COc1cc(C)[nH+]c(CN(C)S(C)(=O)=O)c1 ZINC000271201854 385802744 /nfs/dbraw/zinc/80/27/44/385802744.db2.gz JBSXEXDPCBNQKT-UHFFFAOYSA-N 1 2 244.316 0.790 20 0 BCADLO O=C1C[N@H+](C[C@H]2Cc3ccccc3O2)CCN1 ZINC000363879690 385804407 /nfs/dbraw/zinc/80/44/07/385804407.db2.gz OVSRHRNYSYBZJI-LLVKDONJSA-N 1 2 232.283 0.422 20 0 BCADLO O=C1C[N@@H+](C[C@H]2Cc3ccccc3O2)CCN1 ZINC000363879690 385804409 /nfs/dbraw/zinc/80/44/09/385804409.db2.gz OVSRHRNYSYBZJI-LLVKDONJSA-N 1 2 232.283 0.422 20 0 BCADLO COc1cc(C)[nH+]c(Cn2nnnc2C)c1 ZINC000271216890 385806486 /nfs/dbraw/zinc/80/64/86/385806486.db2.gz NPTNAZYRXCNEKE-UHFFFAOYSA-N 1 2 219.248 0.742 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cccn1 ZINC000186954252 385818066 /nfs/dbraw/zinc/81/80/66/385818066.db2.gz QLGBJVTZALPKEG-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cccn1 ZINC000186954252 385818070 /nfs/dbraw/zinc/81/80/70/385818070.db2.gz QLGBJVTZALPKEG-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO CCOCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186954474 385818752 /nfs/dbraw/zinc/81/87/52/385818752.db2.gz FMDRIQYBWPKJGL-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186954474 385818756 /nfs/dbraw/zinc/81/87/56/385818756.db2.gz FMDRIQYBWPKJGL-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC(F)(F)CO ZINC000231775684 385820319 /nfs/dbraw/zinc/82/03/19/385820319.db2.gz YELBXRHYHLVLSX-UHFFFAOYSA-N 1 2 233.218 0.017 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186990480 385822909 /nfs/dbraw/zinc/82/29/09/385822909.db2.gz YMCBRCWLDWGFLW-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186990480 385822911 /nfs/dbraw/zinc/82/29/11/385822911.db2.gz YMCBRCWLDWGFLW-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCn2ccnc2)n1 ZINC000336737855 385825323 /nfs/dbraw/zinc/82/53/23/385825323.db2.gz JWHHFHMYTUBFRC-QMMMGPOBSA-N 1 2 221.264 0.925 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000365878293 385829371 /nfs/dbraw/zinc/82/93/71/385829371.db2.gz BUMLUBRKWYAFDK-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000365878293 385829376 /nfs/dbraw/zinc/82/93/76/385829376.db2.gz BUMLUBRKWYAFDK-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CC[C@H](C)O)CCO1 ZINC000122905194 385835325 /nfs/dbraw/zinc/83/53/25/385835325.db2.gz AARMVORBVFPOKW-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CC[C@H](C)O)CCO1 ZINC000122905194 385835330 /nfs/dbraw/zinc/83/53/30/385835330.db2.gz AARMVORBVFPOKW-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CC(C)(CO)CO ZINC000283881284 385838218 /nfs/dbraw/zinc/83/82/18/385838218.db2.gz FNZJZACQSJLUFG-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)CC(C)(CO)CO ZINC000283881284 385838223 /nfs/dbraw/zinc/83/82/23/385838223.db2.gz FNZJZACQSJLUFG-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)CC(C)(CO)CO ZINC000283881284 385838224 /nfs/dbraw/zinc/83/82/24/385838224.db2.gz FNZJZACQSJLUFG-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO CO[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000294405979 385847157 /nfs/dbraw/zinc/84/71/57/385847157.db2.gz FJEHJVOCWICLII-NSHDSACASA-N 1 2 237.303 0.802 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H]1O ZINC000284041022 385847385 /nfs/dbraw/zinc/84/73/85/385847385.db2.gz PVSFQXDNNHEQGT-JOEPOWSHSA-N 1 2 235.287 0.700 20 0 BCADLO CCOCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000308318899 385859019 /nfs/dbraw/zinc/85/90/19/385859019.db2.gz YYRXWGSCWQMKOM-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO CCOCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000308318899 385859022 /nfs/dbraw/zinc/85/90/22/385859022.db2.gz YYRXWGSCWQMKOM-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294478267 385855125 /nfs/dbraw/zinc/85/51/25/385855125.db2.gz RKUOMURSLOSNCH-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294478267 385855129 /nfs/dbraw/zinc/85/51/29/385855129.db2.gz RKUOMURSLOSNCH-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294478276 385855689 /nfs/dbraw/zinc/85/56/89/385855689.db2.gz RKUOMURSLOSNCH-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294478276 385855693 /nfs/dbraw/zinc/85/56/93/385855693.db2.gz RKUOMURSLOSNCH-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCOCC1 ZINC000271876640 385856085 /nfs/dbraw/zinc/85/60/85/385856085.db2.gz POWRGAMFVXHNEC-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO O[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647845507 385885276 /nfs/dbraw/zinc/88/52/76/385885276.db2.gz NFGWHENHWSMGGJ-QMMMGPOBSA-N 1 2 236.275 0.242 20 0 BCADLO O[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647845507 385885281 /nfs/dbraw/zinc/88/52/81/385885281.db2.gz NFGWHENHWSMGGJ-QMMMGPOBSA-N 1 2 236.275 0.242 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000294739329 385889949 /nfs/dbraw/zinc/88/99/49/385889949.db2.gz QQIPGPFEVYNHGI-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000294739329 385889953 /nfs/dbraw/zinc/88/99/53/385889953.db2.gz QQIPGPFEVYNHGI-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO C[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272302018 385892535 /nfs/dbraw/zinc/89/25/35/385892535.db2.gz JBYQDGZZDLUBTH-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CCC1CC1 ZINC000272342654 385896458 /nfs/dbraw/zinc/89/64/58/385896458.db2.gz IIPZUMWTEVBDII-UHFFFAOYSA-N 1 2 243.332 0.640 20 0 BCADLO Cn1cncc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000340196723 385899105 /nfs/dbraw/zinc/89/91/05/385899105.db2.gz GQJSRHFQSRCCIC-LBPRGKRZSA-N 1 2 244.298 0.736 20 0 BCADLO Cc1nc(NCCC[C@@H](C)O)nc(N)[nH+]1 ZINC000308853956 385899588 /nfs/dbraw/zinc/89/95/88/385899588.db2.gz HWWVMJWNXYYIFG-ZCFIWIBFSA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(N)nc(NCCC[C@@H](C)O)[nH+]1 ZINC000308853956 385899591 /nfs/dbraw/zinc/89/95/91/385899591.db2.gz HWWVMJWNXYYIFG-ZCFIWIBFSA-N 1 2 211.269 0.335 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000647852127 385902278 /nfs/dbraw/zinc/90/22/78/385902278.db2.gz YBYRRQODMOHGFI-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000647852127 385902282 /nfs/dbraw/zinc/90/22/82/385902282.db2.gz YBYRRQODMOHGFI-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO Cc1nc(N[C@H](C)C[C@@H](C)O)nc(N)[nH+]1 ZINC000308867063 385902860 /nfs/dbraw/zinc/90/28/60/385902860.db2.gz LJUOFHNMKGLJMX-PHDIDXHHSA-N 1 2 211.269 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000308867063 385902863 /nfs/dbraw/zinc/90/28/63/385902863.db2.gz LJUOFHNMKGLJMX-PHDIDXHHSA-N 1 2 211.269 0.334 20 0 BCADLO CCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338136025 385903110 /nfs/dbraw/zinc/90/31/10/385903110.db2.gz YSFSZHKZTWZKSN-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO CCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338136025 385903112 /nfs/dbraw/zinc/90/31/12/385903112.db2.gz YSFSZHKZTWZKSN-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO Cc1nc(N[C@H](C)C[C@H](C)O)nc(N)[nH+]1 ZINC000308867066 385903331 /nfs/dbraw/zinc/90/33/31/385903331.db2.gz LJUOFHNMKGLJMX-RITPCOANSA-N 1 2 211.269 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000308867066 385903335 /nfs/dbraw/zinc/90/33/35/385903335.db2.gz LJUOFHNMKGLJMX-RITPCOANSA-N 1 2 211.269 0.334 20 0 BCADLO Cc1nc(NC[C@H](O)C(C)C)nc(N)[nH+]1 ZINC000308863525 385903436 /nfs/dbraw/zinc/90/34/36/385903436.db2.gz KKFVGUWUXGQIET-ZETCQYMHSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)C(C)C)[nH+]1 ZINC000308863525 385903440 /nfs/dbraw/zinc/90/34/40/385903440.db2.gz KKFVGUWUXGQIET-ZETCQYMHSA-N 1 2 211.269 0.191 20 0 BCADLO Cn1nccc1C1=CC[N@@H+]([C@@H]2CCOC2=O)CC1 ZINC000285241103 385909616 /nfs/dbraw/zinc/90/96/16/385909616.db2.gz BQPBIGRBKVJFDE-GFCCVEGCSA-N 1 2 247.298 0.825 20 0 BCADLO Cn1nccc1C1=CC[N@H+]([C@@H]2CCOC2=O)CC1 ZINC000285241103 385909618 /nfs/dbraw/zinc/90/96/18/385909618.db2.gz BQPBIGRBKVJFDE-GFCCVEGCSA-N 1 2 247.298 0.825 20 0 BCADLO Cc1nnc(C[NH2+][C@H](CO)c2ccsc2)[nH]1 ZINC000336741995 385918977 /nfs/dbraw/zinc/91/89/77/385918977.db2.gz RPHMVVOUORJUNU-SECBINFHSA-N 1 2 238.316 0.998 20 0 BCADLO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331771409 385919360 /nfs/dbraw/zinc/91/93/60/385919360.db2.gz LSGWIOKDADOMLC-NBEYISGCSA-N 1 2 240.307 0.659 20 0 BCADLO COC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000272651325 385920335 /nfs/dbraw/zinc/92/03/35/385920335.db2.gz FBTSWKJWENDSRV-MRVPVSSYSA-N 1 2 227.264 0.109 20 0 BCADLO C[N@H+](CC(=O)Nc1nccs1)C1(CO)CC1 ZINC000285383879 385921530 /nfs/dbraw/zinc/92/15/30/385921530.db2.gz CXPXKOJCCNGSPY-UHFFFAOYSA-N 1 2 241.316 0.538 20 0 BCADLO C[N@@H+](CC(=O)Nc1nccs1)C1(CO)CC1 ZINC000285383879 385921537 /nfs/dbraw/zinc/92/15/37/385921537.db2.gz CXPXKOJCCNGSPY-UHFFFAOYSA-N 1 2 241.316 0.538 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)C2(CO)CC2)n1 ZINC000285408465 385925852 /nfs/dbraw/zinc/92/58/52/385925852.db2.gz FQSLMIYJJXLSGZ-UHFFFAOYSA-N 1 2 237.303 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)C2(CO)CC2)n1 ZINC000285408465 385925858 /nfs/dbraw/zinc/92/58/58/385925858.db2.gz FQSLMIYJJXLSGZ-UHFFFAOYSA-N 1 2 237.303 0.701 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284303327 385861286 /nfs/dbraw/zinc/86/12/86/385861286.db2.gz GTTKFRYESDBAIY-QTIBKXMGSA-N 1 2 221.260 0.717 20 0 BCADLO C[C@@H](O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000271936453 385861289 /nfs/dbraw/zinc/86/12/89/385861289.db2.gz NIEOTUHIIBOMAA-NXEZZACHSA-N 1 2 235.287 0.157 20 0 BCADLO C[C@@H]1OCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284303334 385862581 /nfs/dbraw/zinc/86/25/81/385862581.db2.gz GTTKFRYESDBAIY-QZWDGIGVSA-N 1 2 221.260 0.717 20 0 BCADLO CCn1nccc1CC[N@H+](CC)CC(=O)OC ZINC000284340078 385863796 /nfs/dbraw/zinc/86/37/96/385863796.db2.gz JIFLGYXISORUIQ-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO CCn1nccc1CC[N@@H+](CC)CC(=O)OC ZINC000284340078 385863800 /nfs/dbraw/zinc/86/38/00/385863800.db2.gz JIFLGYXISORUIQ-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc(C(C)(C)C)nc1 ZINC000284353713 385864289 /nfs/dbraw/zinc/86/42/89/385864289.db2.gz MLSJIEUOZARZNL-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc(C(C)(C)C)nc1 ZINC000284353713 385864291 /nfs/dbraw/zinc/86/42/91/385864291.db2.gz MLSJIEUOZARZNL-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000414586038 385866604 /nfs/dbraw/zinc/86/66/04/385866604.db2.gz OGFLFIQAVKMXQC-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000414586038 385866610 /nfs/dbraw/zinc/86/66/10/385866610.db2.gz OGFLFIQAVKMXQC-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO CC[C@@H](C)C[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000336725952 385869845 /nfs/dbraw/zinc/86/98/45/385869845.db2.gz GOJLLTSTNKGTER-MWLCHTKSSA-N 1 2 215.293 0.954 20 0 BCADLO O=C(CCn1cccn1)N1CCc2[nH]c[nH+]c2C1 ZINC000647735119 385873536 /nfs/dbraw/zinc/87/35/36/385873536.db2.gz SIMBWTLMOLDKSC-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO O=C(CCn1cccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000647735119 385873540 /nfs/dbraw/zinc/87/35/40/385873540.db2.gz SIMBWTLMOLDKSC-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO FC1(C[N@@H+]2CCO[C@@H]3CCOC[C@@H]32)CC1 ZINC000644841049 385875381 /nfs/dbraw/zinc/87/53/81/385875381.db2.gz MXFNHVOSJZOYFC-VHSXEESVSA-N 1 2 215.268 0.978 20 0 BCADLO FC1(C[N@H+]2CCO[C@@H]3CCOC[C@@H]32)CC1 ZINC000644841049 385875384 /nfs/dbraw/zinc/87/53/84/385875384.db2.gz MXFNHVOSJZOYFC-VHSXEESVSA-N 1 2 215.268 0.978 20 0 BCADLO COC(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)c[nH]1 ZINC000340192973 385877337 /nfs/dbraw/zinc/87/73/37/385877337.db2.gz VAQZDNKGLWIRAZ-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(C)o2)C1 ZINC000284700292 385882603 /nfs/dbraw/zinc/88/26/03/385882603.db2.gz ZXCMGJHJBBFCPI-QWRGUYRKSA-N 1 2 238.287 0.663 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(C)o2)C1 ZINC000284700292 385882610 /nfs/dbraw/zinc/88/26/10/385882610.db2.gz ZXCMGJHJBBFCPI-QWRGUYRKSA-N 1 2 238.287 0.663 20 0 BCADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)o1 ZINC000295134366 385975960 /nfs/dbraw/zinc/97/59/60/385975960.db2.gz YXHMIGCMCRLEKP-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)o1 ZINC000295134366 385975964 /nfs/dbraw/zinc/97/59/64/385975964.db2.gz YXHMIGCMCRLEKP-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ncn(C)n1 ZINC000336769509 385980321 /nfs/dbraw/zinc/98/03/21/385980321.db2.gz VQFGYYOAAZBADX-XHNCKOQMSA-N 1 2 210.281 0.643 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccon1 ZINC000336747979 385980435 /nfs/dbraw/zinc/98/04/35/385980435.db2.gz CYWRHLBNGIRMCN-IONNQARKSA-N 1 2 209.249 0.604 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371868 385980713 /nfs/dbraw/zinc/98/07/13/385980713.db2.gz NUQNBHSBJPUYEL-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371868 385980716 /nfs/dbraw/zinc/98/07/16/385980716.db2.gz NUQNBHSBJPUYEL-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ncn(C)n1 ZINC000336769508 385981886 /nfs/dbraw/zinc/98/18/86/385981886.db2.gz VQFGYYOAAZBADX-DJLDLDEBSA-N 1 2 210.281 0.643 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373442 385985212 /nfs/dbraw/zinc/98/52/12/385985212.db2.gz XJBJBDGRGIGZCI-AXFHLTTASA-N 1 2 241.287 0.038 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373442 385985217 /nfs/dbraw/zinc/98/52/17/385985217.db2.gz XJBJBDGRGIGZCI-AXFHLTTASA-N 1 2 241.287 0.038 20 0 BCADLO FC(F)COCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338383724 385985462 /nfs/dbraw/zinc/98/54/62/385985462.db2.gz QKOMSHQRYJOLNQ-DTORHVGOSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)COCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338383724 385985466 /nfs/dbraw/zinc/98/54/66/385985466.db2.gz QKOMSHQRYJOLNQ-DTORHVGOSA-N 1 2 237.246 0.368 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](OC)C1CC1 ZINC000425398319 385945741 /nfs/dbraw/zinc/94/57/41/385945741.db2.gz UHIWUKVJTMNRHR-VIFPVBQESA-N 1 2 215.293 0.953 20 0 BCADLO COC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000272915219 385949194 /nfs/dbraw/zinc/94/91/94/385949194.db2.gz ZKIAHEXWWWIFNL-UHFFFAOYSA-N 1 2 223.276 0.903 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCCOC1 ZINC000272918358 385950014 /nfs/dbraw/zinc/95/00/14/385950014.db2.gz GKSDJWHBQRZMLP-GFCCVEGCSA-N 1 2 237.303 0.853 20 0 BCADLO CCN(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000342172770 385951339 /nfs/dbraw/zinc/95/13/39/385951339.db2.gz MMNRUNFAFYJNRU-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1CO ZINC000338307429 385953585 /nfs/dbraw/zinc/95/35/85/385953585.db2.gz OONOVBLCRIDSNY-JTQLQIEISA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1CO ZINC000338307429 385953588 /nfs/dbraw/zinc/95/35/88/385953588.db2.gz OONOVBLCRIDSNY-JTQLQIEISA-N 1 2 238.335 0.990 20 0 BCADLO CCN(C)C(=O)CNc1nc[nH+]c(N)c1Cl ZINC000233452060 385957796 /nfs/dbraw/zinc/95/77/96/385957796.db2.gz DZXJSJSIUVMTOW-UHFFFAOYSA-N 1 2 243.698 0.602 20 0 BCADLO CCN(C)C(=O)CNc1[nH+]cnc(N)c1Cl ZINC000233452060 385957803 /nfs/dbraw/zinc/95/78/03/385957803.db2.gz DZXJSJSIUVMTOW-UHFFFAOYSA-N 1 2 243.698 0.602 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058550 385958276 /nfs/dbraw/zinc/95/82/76/385958276.db2.gz ZQPFRQXBSMIQEN-GXSJLCMTSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058550 385958281 /nfs/dbraw/zinc/95/82/81/385958281.db2.gz ZQPFRQXBSMIQEN-GXSJLCMTSA-N 1 2 236.315 0.661 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC000408397192 385960672 /nfs/dbraw/zinc/96/06/72/385960672.db2.gz SAYNQCUUMLYGKO-MRVPVSSYSA-N 1 2 224.308 0.669 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC000408397192 385960679 /nfs/dbraw/zinc/96/06/79/385960679.db2.gz SAYNQCUUMLYGKO-MRVPVSSYSA-N 1 2 224.308 0.669 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1(O)CCC1 ZINC000285754339 385961064 /nfs/dbraw/zinc/96/10/64/385961064.db2.gz ZISUVUHBHRCURX-NSCUHMNNSA-N 1 2 235.287 0.844 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C[C@@H](C)OC ZINC000285742820 385961274 /nfs/dbraw/zinc/96/12/74/385961274.db2.gz QMCBSOOHBWCAOO-MRVPVSSYSA-N 1 2 242.275 0.928 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C[C@@H](C)OC ZINC000285742820 385961281 /nfs/dbraw/zinc/96/12/81/385961281.db2.gz QMCBSOOHBWCAOO-MRVPVSSYSA-N 1 2 242.275 0.928 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)C1(C)COC1 ZINC000273056218 385964092 /nfs/dbraw/zinc/96/40/92/385964092.db2.gz KMQODUZGKKVGHS-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000285811484 385966372 /nfs/dbraw/zinc/96/63/72/385966372.db2.gz VUZQEBVKPZEFMZ-VIFPVBQESA-N 1 2 238.291 0.603 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000285811484 385966373 /nfs/dbraw/zinc/96/63/73/385966373.db2.gz VUZQEBVKPZEFMZ-VIFPVBQESA-N 1 2 238.291 0.603 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)C[S@@](C)=O)c[nH+]1 ZINC000273115566 385969435 /nfs/dbraw/zinc/96/94/35/385969435.db2.gz FFJGPPFBMUKILY-NPMWZIQKSA-N 1 2 229.305 0.215 20 0 BCADLO OC[C@@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000647866860 385971752 /nfs/dbraw/zinc/97/17/52/385971752.db2.gz NICFRKJHQKEEFG-QMMMGPOBSA-N 1 2 236.275 0.242 20 0 BCADLO OC[C@@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000647866860 385971756 /nfs/dbraw/zinc/97/17/56/385971756.db2.gz NICFRKJHQKEEFG-QMMMGPOBSA-N 1 2 236.275 0.242 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000161400979 385971863 /nfs/dbraw/zinc/97/18/63/385971863.db2.gz ZAUOVSFUYHPLLB-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO Cc1nc(C[N@@H+](C)CCc2cnn(C)c2)no1 ZINC000273126467 385972883 /nfs/dbraw/zinc/97/28/83/385972883.db2.gz QPYUFOAGCUOWTD-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1nc(C[N@H+](C)CCc2cnn(C)c2)no1 ZINC000273126467 385972888 /nfs/dbraw/zinc/97/28/88/385972888.db2.gz QPYUFOAGCUOWTD-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO c1nc(NC2CCOCC2)c2c([nH+]1)NCCO2 ZINC000647866019 386001858 /nfs/dbraw/zinc/00/18/58/386001858.db2.gz APNCBMZKPFBDEV-UHFFFAOYSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc2c(c(NC3CCOCC3)[nH+]1)OCCN2 ZINC000647866019 386001863 /nfs/dbraw/zinc/00/18/63/386001863.db2.gz APNCBMZKPFBDEV-UHFFFAOYSA-N 1 2 236.275 0.872 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@H](C)CCO)c[nH+]1 ZINC000295263318 386002390 /nfs/dbraw/zinc/00/23/90/386002390.db2.gz BFSTWISVILSQHZ-QMMMGPOBSA-N 1 2 225.292 0.857 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000286210054 386009326 /nfs/dbraw/zinc/00/93/26/386009326.db2.gz BEDRXWQLILYAGE-VIFPVBQESA-N 1 2 211.265 0.376 20 0 BCADLO CN(CC(C)(C)O)c1nc[nH+]c2c1OCCN2 ZINC000647869119 386016125 /nfs/dbraw/zinc/01/61/25/386016125.db2.gz YPQLJVYUKCWJJX-UHFFFAOYSA-N 1 2 238.291 0.488 20 0 BCADLO CN(CC(C)(C)O)c1[nH+]cnc2c1OCCN2 ZINC000647869119 386016129 /nfs/dbraw/zinc/01/61/29/386016129.db2.gz YPQLJVYUKCWJJX-UHFFFAOYSA-N 1 2 238.291 0.488 20 0 BCADLO CC[C@H](C)CS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000113272153 386030030 /nfs/dbraw/zinc/03/00/30/386030030.db2.gz VOLWTCMIROBZSB-NSHDSACASA-N 1 2 248.392 1.000 20 0 BCADLO Cc1c(C[N@H+](C)[C@@H]2CCNC2=O)cnn1C ZINC000340227385 386031847 /nfs/dbraw/zinc/03/18/47/386031847.db2.gz YFGYLRUQICBMMV-SNVBAGLBSA-N 1 2 222.292 0.049 20 0 BCADLO Cc1c(C[N@@H+](C)[C@@H]2CCNC2=O)cnn1C ZINC000340227385 386031855 /nfs/dbraw/zinc/03/18/55/386031855.db2.gz YFGYLRUQICBMMV-SNVBAGLBSA-N 1 2 222.292 0.049 20 0 BCADLO Cc1c(C[N@H+](C)[C@H]2CCNC2=O)cnn1C ZINC000340227383 386032445 /nfs/dbraw/zinc/03/24/45/386032445.db2.gz YFGYLRUQICBMMV-JTQLQIEISA-N 1 2 222.292 0.049 20 0 BCADLO Cc1c(C[N@@H+](C)[C@H]2CCNC2=O)cnn1C ZINC000340227383 386032450 /nfs/dbraw/zinc/03/24/50/386032450.db2.gz YFGYLRUQICBMMV-JTQLQIEISA-N 1 2 222.292 0.049 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccc1)C(C)(C)C(N)=O ZINC000295445339 386034402 /nfs/dbraw/zinc/03/44/02/386034402.db2.gz OZXVAPKYEGCWCF-UHFFFAOYSA-N 1 2 249.314 0.821 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccc1)C(C)(C)C(N)=O ZINC000295445339 386034409 /nfs/dbraw/zinc/03/44/09/386034409.db2.gz OZXVAPKYEGCWCF-UHFFFAOYSA-N 1 2 249.314 0.821 20 0 BCADLO CO[C@@H](C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000286417828 386037944 /nfs/dbraw/zinc/03/79/44/386037944.db2.gz OIXUDPWPGYPJAU-QMMMGPOBSA-N 1 2 235.291 0.834 20 0 BCADLO COC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000336771506 386043470 /nfs/dbraw/zinc/04/34/70/386043470.db2.gz WVRSSNPIMJEBAL-ZETCQYMHSA-N 1 2 212.253 0.025 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124411501 386045175 /nfs/dbraw/zinc/04/51/75/386045175.db2.gz ZRMLAAMPVDNCLR-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124411501 386045182 /nfs/dbraw/zinc/04/51/82/386045182.db2.gz ZRMLAAMPVDNCLR-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO CNS(=O)(=O)NCCCc1[nH+]cccc1C ZINC000295891061 386101004 /nfs/dbraw/zinc/10/10/04/386101004.db2.gz CRBLWJBDJASPMX-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334455167 386105567 /nfs/dbraw/zinc/10/55/67/386105567.db2.gz NUBNRMQJQFXEQK-IMTBSYHQSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(F)C1 ZINC000334455167 386105573 /nfs/dbraw/zinc/10/55/73/386105573.db2.gz NUBNRMQJQFXEQK-IMTBSYHQSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccn(C)n1 ZINC000274489398 386112218 /nfs/dbraw/zinc/11/22/18/386112218.db2.gz SHVUDXPZHKEZGW-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccn(C)n1 ZINC000274489398 386112222 /nfs/dbraw/zinc/11/22/22/386112222.db2.gz SHVUDXPZHKEZGW-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO COCCC[N@H+](CCO)Cc1noc(C)n1 ZINC000189899288 386114493 /nfs/dbraw/zinc/11/44/93/386114493.db2.gz TWOARWOKLJVZQO-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO COCCC[N@@H+](CCO)Cc1noc(C)n1 ZINC000189899288 386114502 /nfs/dbraw/zinc/11/45/02/386114502.db2.gz TWOARWOKLJVZQO-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000343167677 386114700 /nfs/dbraw/zinc/11/47/00/386114700.db2.gz MSMDCYSYEPQRRE-SECBINFHSA-N 1 2 233.275 0.733 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345833314 386120699 /nfs/dbraw/zinc/12/06/99/386120699.db2.gz YTZYZYAZSGYCHD-YUMQZZPRSA-N 1 2 236.262 0.261 20 0 BCADLO COC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451617394 386120726 /nfs/dbraw/zinc/12/07/26/386120726.db2.gz XUSTXGMZVABUKH-ZYHUDNBSSA-N 1 2 227.304 0.546 20 0 BCADLO COCCN(CC(C)C)c1nc(C)[nH+]c(N)n1 ZINC000310114139 386120987 /nfs/dbraw/zinc/12/09/87/386120987.db2.gz RHRKHHMCYTUTHK-UHFFFAOYSA-N 1 2 239.323 0.871 20 0 BCADLO COCCN(CC(C)C)c1nc(N)nc(C)[nH+]1 ZINC000310114139 386120990 /nfs/dbraw/zinc/12/09/90/386120990.db2.gz RHRKHHMCYTUTHK-UHFFFAOYSA-N 1 2 239.323 0.871 20 0 BCADLO CN(CCn1cccn1)C(=O)CCc1[nH]cc[nH+]1 ZINC000287427555 386121668 /nfs/dbraw/zinc/12/16/68/386121668.db2.gz LQZMNDYMFDLARN-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NC(N)=O ZINC000334435142 386058227 /nfs/dbraw/zinc/05/82/27/386058227.db2.gz OLWYIDMDKFHRCT-MRVPVSSYSA-N 1 2 233.271 0.758 20 0 BCADLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NC(N)=O ZINC000334435142 386058231 /nfs/dbraw/zinc/05/82/31/386058231.db2.gz OLWYIDMDKFHRCT-MRVPVSSYSA-N 1 2 233.271 0.758 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439502 386064614 /nfs/dbraw/zinc/06/46/14/386064614.db2.gz AOARENQSPNGVFQ-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439502 386064618 /nfs/dbraw/zinc/06/46/18/386064618.db2.gz AOARENQSPNGVFQ-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439506 386065162 /nfs/dbraw/zinc/06/51/62/386065162.db2.gz AOARENQSPNGVFQ-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425439506 386065167 /nfs/dbraw/zinc/06/51/67/386065167.db2.gz AOARENQSPNGVFQ-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO CCOC(=O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000345167453 386066618 /nfs/dbraw/zinc/06/66/18/386066618.db2.gz ONRAGNXALPWSCV-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338586340 386071792 /nfs/dbraw/zinc/07/17/92/386071792.db2.gz ARGOHICQETYCQA-NSHDSACASA-N 1 2 232.299 0.261 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586340 386071796 /nfs/dbraw/zinc/07/17/96/386071796.db2.gz ARGOHICQETYCQA-NSHDSACASA-N 1 2 232.299 0.261 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587361 386073276 /nfs/dbraw/zinc/07/32/76/386073276.db2.gz JTMDYZAGRFODIF-LLVKDONJSA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338587361 386073280 /nfs/dbraw/zinc/07/32/80/386073280.db2.gz JTMDYZAGRFODIF-LLVKDONJSA-N 1 2 232.299 0.307 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425441363 386073442 /nfs/dbraw/zinc/07/34/42/386073442.db2.gz FOSMCZLBNDODNC-RXMQYKEDSA-N 1 2 221.207 0.820 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425441363 386073450 /nfs/dbraw/zinc/07/34/50/386073450.db2.gz FOSMCZLBNDODNC-RXMQYKEDSA-N 1 2 221.207 0.820 20 0 BCADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)NCC1CCC1 ZINC000338623894 386074447 /nfs/dbraw/zinc/07/44/47/386074447.db2.gz HMLFVDYZOQONRM-LBPRGKRZSA-N 1 2 244.310 0.309 20 0 BCADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)NCC1CCC1 ZINC000338623894 386074449 /nfs/dbraw/zinc/07/44/49/386074449.db2.gz HMLFVDYZOQONRM-LBPRGKRZSA-N 1 2 244.310 0.309 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338637987 386079508 /nfs/dbraw/zinc/07/95/08/386079508.db2.gz QWSFASKHEPJRRZ-RKDXNWHRSA-N 1 2 240.303 0.339 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cnn(C)c1)C1CC1 ZINC000234564584 386080859 /nfs/dbraw/zinc/08/08/59/386080859.db2.gz XSKMESNSZJZBIE-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO CCO[C@H]1C[C@@]([NH2+]CCO)(C(=O)OC)C1(C)C ZINC000189820579 386091899 /nfs/dbraw/zinc/09/18/99/386091899.db2.gz DXZWLXXELBCLMT-JOYOIKCWSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cncnc1 ZINC000274368401 386093306 /nfs/dbraw/zinc/09/33/06/386093306.db2.gz RFSLAMSTIGKUPP-VIFPVBQESA-N 1 2 246.274 0.883 20 0 BCADLO C[C@H]1OCCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408331510 386098944 /nfs/dbraw/zinc/09/89/44/386098944.db2.gz NVCQQEUXLZMMPZ-BDAKNGLRSA-N 1 2 236.271 0.963 20 0 BCADLO CC[C@@H](C(=O)Nc1cc[nH+]cc1C)C(=O)OC ZINC000338818018 386151067 /nfs/dbraw/zinc/15/10/67/386151067.db2.gz XHOBGFDXCVAVGL-VIFPVBQESA-N 1 2 236.271 0.950 20 0 BCADLO Cn1cc[nH+]c1CN1CC(NC(=O)C2CCC2)C1 ZINC000275178513 386189936 /nfs/dbraw/zinc/18/99/36/386189936.db2.gz AEGVKOIUOIEBKE-UHFFFAOYSA-N 1 2 248.330 0.521 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190158344 386158443 /nfs/dbraw/zinc/15/84/43/386158443.db2.gz BKGXZXHGJUJLCZ-OUAUKWLOSA-N 1 2 237.303 0.619 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190158344 386158449 /nfs/dbraw/zinc/15/84/49/386158449.db2.gz BKGXZXHGJUJLCZ-OUAUKWLOSA-N 1 2 237.303 0.619 20 0 BCADLO Nc1c(NCC(F)F)[nH+]cnc1-n1cccn1 ZINC000163341082 386158618 /nfs/dbraw/zinc/15/86/18/386158618.db2.gz PNMSJRMTXFPRMF-UHFFFAOYSA-N 1 2 240.217 0.922 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424892758 386159863 /nfs/dbraw/zinc/15/98/63/386159863.db2.gz LWVNGOPVWYXCQO-BTQIBKBOSA-N 1 2 242.294 0.276 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424892758 386159871 /nfs/dbraw/zinc/15/98/71/386159871.db2.gz LWVNGOPVWYXCQO-BTQIBKBOSA-N 1 2 242.294 0.276 20 0 BCADLO CCC(CC)(CO)CNc1nc(C)[nH+]c(N)n1 ZINC000310187092 386161473 /nfs/dbraw/zinc/16/14/73/386161473.db2.gz WLHXIAYYZBLMMX-UHFFFAOYSA-N 1 2 239.323 0.973 20 0 BCADLO CCC(CC)(CO)CNc1nc(N)nc(C)[nH+]1 ZINC000310187092 386161477 /nfs/dbraw/zinc/16/14/77/386161477.db2.gz WLHXIAYYZBLMMX-UHFFFAOYSA-N 1 2 239.323 0.973 20 0 BCADLO COCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000263651341 386161695 /nfs/dbraw/zinc/16/16/95/386161695.db2.gz BEGFDNFXHMOTPR-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO COC(=O)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000346132640 386163452 /nfs/dbraw/zinc/16/34/52/386163452.db2.gz CMEMOEABRKVMIF-UHFFFAOYSA-N 1 2 239.275 0.367 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000190382345 386165300 /nfs/dbraw/zinc/16/53/00/386165300.db2.gz NFWHCRXSJUYFSB-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000190382345 386165302 /nfs/dbraw/zinc/16/53/02/386165302.db2.gz NFWHCRXSJUYFSB-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H](CNS(C)(=O)=O)Nc1cccc[nH+]1 ZINC000296371756 386168281 /nfs/dbraw/zinc/16/82/81/386168281.db2.gz SRJMCNMUXWIHIK-VIFPVBQESA-N 1 2 243.332 0.821 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H]1OCCc2ccccc21 ZINC000263723601 386170554 /nfs/dbraw/zinc/17/05/54/386170554.db2.gz OVRGABOVKRUPCI-GFCCVEGCSA-N 1 2 234.299 0.718 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H]1OCCc2ccccc21 ZINC000263723601 386170556 /nfs/dbraw/zinc/17/05/56/386170556.db2.gz OVRGABOVKRUPCI-GFCCVEGCSA-N 1 2 234.299 0.718 20 0 BCADLO CCc1ccc(C[N@H+](C)CC(N)=O)nc1 ZINC000338900140 386172331 /nfs/dbraw/zinc/17/23/31/386172331.db2.gz ASQXYKJMHKCKOI-UHFFFAOYSA-N 1 2 207.277 0.561 20 0 BCADLO CCc1ccc(C[N@@H+](C)CC(N)=O)nc1 ZINC000338900140 386172334 /nfs/dbraw/zinc/17/23/34/386172334.db2.gz ASQXYKJMHKCKOI-UHFFFAOYSA-N 1 2 207.277 0.561 20 0 BCADLO COC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000288244409 386177160 /nfs/dbraw/zinc/17/71/60/386177160.db2.gz QRYIEARAUJYVIZ-SNVBAGLBSA-N 1 2 237.303 0.884 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc2c1OCO2 ZINC000263815700 386180896 /nfs/dbraw/zinc/18/08/96/386180896.db2.gz OHRBQRDBZYRPTN-UHFFFAOYSA-N 1 2 236.271 0.723 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc2c1OCO2 ZINC000263815700 386180900 /nfs/dbraw/zinc/18/09/00/386180900.db2.gz OHRBQRDBZYRPTN-UHFFFAOYSA-N 1 2 236.271 0.723 20 0 BCADLO CC[N@H+](CCOCC(F)F)CC(=O)OC ZINC000346241190 386181482 /nfs/dbraw/zinc/18/14/82/386181482.db2.gz NOSDYRQMLDAALB-UHFFFAOYSA-N 1 2 225.235 0.763 20 0 BCADLO CC[N@@H+](CCOCC(F)F)CC(=O)OC ZINC000346241190 386181484 /nfs/dbraw/zinc/18/14/84/386181484.db2.gz NOSDYRQMLDAALB-UHFFFAOYSA-N 1 2 225.235 0.763 20 0 BCADLO CC[N@H+](C)CCNC(=O)NCc1cn[nH]c1C ZINC000263853499 386183374 /nfs/dbraw/zinc/18/33/74/386183374.db2.gz RUYUJZCUNWVRTJ-UHFFFAOYSA-N 1 2 239.323 0.469 20 0 BCADLO CC[N@@H+](C)CCNC(=O)NCc1cn[nH]c1C ZINC000263853499 386183379 /nfs/dbraw/zinc/18/33/79/386183379.db2.gz RUYUJZCUNWVRTJ-UHFFFAOYSA-N 1 2 239.323 0.469 20 0 BCADLO CC(=O)NCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340276359 386186172 /nfs/dbraw/zinc/18/61/72/386186172.db2.gz DXVDAPYBMLCUQN-UHFFFAOYSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340276359 386186176 /nfs/dbraw/zinc/18/61/76/386186176.db2.gz DXVDAPYBMLCUQN-UHFFFAOYSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340276359 386186178 /nfs/dbraw/zinc/18/61/78/386186178.db2.gz DXVDAPYBMLCUQN-UHFFFAOYSA-N 1 2 237.307 0.153 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCOC1 ZINC000263904755 386191221 /nfs/dbraw/zinc/19/12/21/386191221.db2.gz HDJPJVOBFSAAGW-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(CO)CC1 ZINC000189976614 386127685 /nfs/dbraw/zinc/12/76/85/386127685.db2.gz WFJDEPHWZICQEL-SECBINFHSA-N 1 2 239.323 0.366 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000334463036 386129423 /nfs/dbraw/zinc/12/94/23/386129423.db2.gz RBDGZBRONPYZLC-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000334463036 386129429 /nfs/dbraw/zinc/12/94/29/386129429.db2.gz RBDGZBRONPYZLC-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CC(=O)N(C)C)CCN1C ZINC000335131666 386131643 /nfs/dbraw/zinc/13/16/43/386131643.db2.gz KJXBBFWCNZLSCA-UWVGGRQHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CC(=O)N(C)C)CCN1C ZINC000335131666 386131644 /nfs/dbraw/zinc/13/16/44/386131644.db2.gz KJXBBFWCNZLSCA-UWVGGRQHSA-N 1 2 213.325 0.099 20 0 BCADLO Cn1ncnc1CNC[C@@H](c1ccco1)[NH+](C)C ZINC000638295550 386135066 /nfs/dbraw/zinc/13/50/66/386135066.db2.gz YSUVPYKXUHALFP-JTQLQIEISA-N 1 2 249.318 0.801 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nccs1 ZINC000334468139 386139362 /nfs/dbraw/zinc/13/93/62/386139362.db2.gz XLMZXRPIRVIERS-RKDXNWHRSA-N 1 2 237.328 0.854 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nccs1 ZINC000334468139 386139368 /nfs/dbraw/zinc/13/93/68/386139368.db2.gz XLMZXRPIRVIERS-RKDXNWHRSA-N 1 2 237.328 0.854 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOC1CCC1 ZINC000347052659 386207837 /nfs/dbraw/zinc/20/78/37/386207837.db2.gz KECDCYRILKYVQJ-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOC1CCC1 ZINC000347052659 386207843 /nfs/dbraw/zinc/20/78/43/386207843.db2.gz KECDCYRILKYVQJ-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000264114604 386210374 /nfs/dbraw/zinc/21/03/74/386210374.db2.gz GSLOVEQPQMREQA-BDAKNGLRSA-N 1 2 222.292 0.875 20 0 BCADLO Cc1cc(C[N@H+](C)CCn2cncn2)no1 ZINC000264154213 386211820 /nfs/dbraw/zinc/21/18/20/386211820.db2.gz WZCKUEOSPIEHAW-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO Cc1cc(C[N@@H+](C)CCn2cncn2)no1 ZINC000264154213 386211825 /nfs/dbraw/zinc/21/18/25/386211825.db2.gz WZCKUEOSPIEHAW-UHFFFAOYSA-N 1 2 221.264 0.707 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000339017492 386213130 /nfs/dbraw/zinc/21/31/30/386213130.db2.gz SPUDZQBFCHUWNF-SNVBAGLBSA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000339017492 386213136 /nfs/dbraw/zinc/21/31/36/386213136.db2.gz SPUDZQBFCHUWNF-SNVBAGLBSA-N 1 2 213.277 0.803 20 0 BCADLO Cc1ccc2nc(C[NH+]3C[C@@H](O)[C@H](O)C3)cn2c1 ZINC000235997529 386214527 /nfs/dbraw/zinc/21/45/27/386214527.db2.gz ONOYLPXEAIRQNM-VXGBXAGGSA-N 1 2 247.298 0.180 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cnn[nH]1 ZINC000340289284 386216634 /nfs/dbraw/zinc/21/66/34/386216634.db2.gz FEIVDDAQNMICFY-PSASIEDQSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cnn[nH]1 ZINC000340289284 386216638 /nfs/dbraw/zinc/21/66/38/386216638.db2.gz FEIVDDAQNMICFY-PSASIEDQSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC000340289284 386216642 /nfs/dbraw/zinc/21/66/42/386216642.db2.gz FEIVDDAQNMICFY-PSASIEDQSA-N 1 2 210.281 0.540 20 0 BCADLO CO[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647969670 386219899 /nfs/dbraw/zinc/21/98/99/386219899.db2.gz KFHJBWKCEMIJHL-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CO[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647969670 386219902 /nfs/dbraw/zinc/21/99/02/386219902.db2.gz KFHJBWKCEMIJHL-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000347036570 386225905 /nfs/dbraw/zinc/22/59/05/386225905.db2.gz QYRQZNXALWHIEO-NEPJUHHUSA-N 1 2 241.379 0.927 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(C)CC1 ZINC000347036570 386225908 /nfs/dbraw/zinc/22/59/08/386225908.db2.gz QYRQZNXALWHIEO-NEPJUHHUSA-N 1 2 241.379 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)CC[C@@H]1C ZINC000347038112 386226604 /nfs/dbraw/zinc/22/66/04/386226604.db2.gz IDWYVSQMCCCISD-IVZWLZJFSA-N 1 2 239.323 0.628 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)CC[C@@H]1C ZINC000347038112 386226610 /nfs/dbraw/zinc/22/66/10/386226610.db2.gz IDWYVSQMCCCISD-IVZWLZJFSA-N 1 2 239.323 0.628 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000264322178 386226630 /nfs/dbraw/zinc/22/66/30/386226630.db2.gz QMMMJSOVFVEOPW-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1nncn1C ZINC000347041837 386227838 /nfs/dbraw/zinc/22/78/38/386227838.db2.gz BOZAEPOPFVKWHO-BDAKNGLRSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347041837 386227843 /nfs/dbraw/zinc/22/78/43/386227843.db2.gz BOZAEPOPFVKWHO-BDAKNGLRSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@@]([NH2+]Cc1cc[nH]n1)(C(N)=O)c1ccccc1 ZINC000340292689 386228671 /nfs/dbraw/zinc/22/86/71/386228671.db2.gz QCJAMXAVCKTVOE-ZDUSSCGKSA-N 1 2 244.298 0.900 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2[nH+]ccn2C)n1 ZINC000264343225 386229864 /nfs/dbraw/zinc/22/98/64/386229864.db2.gz VVSRTYCOTZXTBV-UHFFFAOYSA-N 1 2 247.302 0.550 20 0 BCADLO C[C@@]1(O)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647969721 386233403 /nfs/dbraw/zinc/23/34/03/386233403.db2.gz MNFSPYORJSIUFK-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647969721 386233407 /nfs/dbraw/zinc/23/34/07/386233407.db2.gz MNFSPYORJSIUFK-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2csnn2)C1 ZINC000129555073 386236365 /nfs/dbraw/zinc/23/63/65/386236365.db2.gz BYCMHUAPIAINLZ-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2csnn2)C1 ZINC000129555073 386236368 /nfs/dbraw/zinc/23/63/68/386236368.db2.gz BYCMHUAPIAINLZ-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO COc1ccncc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000347128206 386237680 /nfs/dbraw/zinc/23/76/80/386237680.db2.gz HRGREETWEWDZOJ-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccncc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000347128206 386237684 /nfs/dbraw/zinc/23/76/84/386237684.db2.gz HRGREETWEWDZOJ-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCC[C@H](OC)C2)C1=O ZINC000647969844 386242870 /nfs/dbraw/zinc/24/28/70/386242870.db2.gz UXNZRDMSBUUZOV-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCC[C@H](OC)C2)C1=O ZINC000647969844 386242872 /nfs/dbraw/zinc/24/28/72/386242872.db2.gz UXNZRDMSBUUZOV-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CO[C@H]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000408361885 386243910 /nfs/dbraw/zinc/24/39/10/386243910.db2.gz KFLSHPBVMRBANA-VIFPVBQESA-N 1 2 237.307 0.471 20 0 BCADLO CO[C@H]1CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000408361885 386243915 /nfs/dbraw/zinc/24/39/15/386243915.db2.gz KFLSHPBVMRBANA-VIFPVBQESA-N 1 2 237.307 0.471 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC3)CCO1 ZINC000643333274 386244735 /nfs/dbraw/zinc/24/47/35/386244735.db2.gz OISOHNLHWOIPHG-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC3)CCO1 ZINC000643333274 386244739 /nfs/dbraw/zinc/24/47/39/386244739.db2.gz OISOHNLHWOIPHG-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CN1CCCC1=O ZINC000264531469 386246913 /nfs/dbraw/zinc/24/69/13/386246913.db2.gz OJBATMFGIYVEPO-UHFFFAOYSA-N 1 2 233.271 0.951 20 0 BCADLO CC(C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000264602752 386252789 /nfs/dbraw/zinc/25/27/89/386252789.db2.gz FSQVRKWXVXYRNX-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO C[C@@H]1C[N@H+](CCOC2CCC2)CC(=O)N1C ZINC000347189123 386254884 /nfs/dbraw/zinc/25/48/84/386254884.db2.gz QVMQAYDANMWXEY-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC2CCC2)CC(=O)N1C ZINC000347189123 386254891 /nfs/dbraw/zinc/25/48/91/386254891.db2.gz QVMQAYDANMWXEY-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO c1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000338965767 386192276 /nfs/dbraw/zinc/19/22/76/386192276.db2.gz SFBOCGDTBFGCQY-DTORHVGOSA-N 1 2 226.301 0.743 20 0 BCADLO c1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000338965767 386192279 /nfs/dbraw/zinc/19/22/79/386192279.db2.gz SFBOCGDTBFGCQY-DTORHVGOSA-N 1 2 226.301 0.743 20 0 BCADLO CO[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000263922728 386193008 /nfs/dbraw/zinc/19/30/08/386193008.db2.gz UZOCCZHRYYNHQH-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000340279511 386193222 /nfs/dbraw/zinc/19/32/22/386193222.db2.gz PKFKJYCLTMVCTK-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000340279511 386193227 /nfs/dbraw/zinc/19/32/27/386193227.db2.gz PKFKJYCLTMVCTK-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H](O)C(C)C)no1 ZINC000340282891 386196743 /nfs/dbraw/zinc/19/67/43/386196743.db2.gz YERPILYTQAOJPT-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H](O)C(C)C)no1 ZINC000340282891 386196744 /nfs/dbraw/zinc/19/67/44/386196744.db2.gz YERPILYTQAOJPT-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO CN(CC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000264906757 386280895 /nfs/dbraw/zinc/28/08/95/386280895.db2.gz XWSNAVQAPYANEP-UHFFFAOYSA-N 1 2 206.249 0.276 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000425505291 386283780 /nfs/dbraw/zinc/28/37/80/386283780.db2.gz BLMBFODAICATSI-SECBINFHSA-N 1 2 232.349 0.222 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000425505291 386283784 /nfs/dbraw/zinc/28/37/84/386283784.db2.gz BLMBFODAICATSI-SECBINFHSA-N 1 2 232.349 0.222 20 0 BCADLO CCC(=O)N1CC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000425505812 386284136 /nfs/dbraw/zinc/28/41/36/386284136.db2.gz BMIZKUUAFLMXQY-UHFFFAOYSA-N 1 2 240.303 0.451 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC2(C(=O)OC)CC2)C1 ZINC000425505812 386284142 /nfs/dbraw/zinc/28/41/42/386284142.db2.gz BMIZKUUAFLMXQY-UHFFFAOYSA-N 1 2 240.303 0.451 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425517032 386288447 /nfs/dbraw/zinc/28/84/47/386288447.db2.gz SYEILCGCPRNJSA-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425517032 386288450 /nfs/dbraw/zinc/28/84/50/386288450.db2.gz SYEILCGCPRNJSA-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cnn(C)n2)C1 ZINC000289362816 386290333 /nfs/dbraw/zinc/29/03/33/386290333.db2.gz NDMVYOUWULMWCY-LLVKDONJSA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000289362816 386290337 /nfs/dbraw/zinc/29/03/37/386290337.db2.gz NDMVYOUWULMWCY-LLVKDONJSA-N 1 2 238.291 0.200 20 0 BCADLO Cn1c[nH+]cc1Cn1nc(C2CC2)ccc1=O ZINC000289361284 386290947 /nfs/dbraw/zinc/29/09/47/386290947.db2.gz ITLANOVFMNGRBG-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200297 386292341 /nfs/dbraw/zinc/29/23/41/386292341.db2.gz LOQQBEYIUSBFPW-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200297 386292344 /nfs/dbraw/zinc/29/23/44/386292344.db2.gz LOQQBEYIUSBFPW-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO O=C1CCN(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000276272883 386292949 /nfs/dbraw/zinc/29/29/49/386292949.db2.gz RBNUVFOYWQYRRC-GFCCVEGCSA-N 1 2 248.330 0.999 20 0 BCADLO O=C1CCN(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000276272883 386292954 /nfs/dbraw/zinc/29/29/54/386292954.db2.gz RBNUVFOYWQYRRC-GFCCVEGCSA-N 1 2 248.330 0.999 20 0 BCADLO C[C@@H]1[N@H+](CCCS(C)(=O)=O)CCOC1(C)C ZINC000336666258 386293917 /nfs/dbraw/zinc/29/39/17/386293917.db2.gz FYHBMZPFVUYVRL-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1[N@@H+](CCCS(C)(=O)=O)CCOC1(C)C ZINC000336666258 386293918 /nfs/dbraw/zinc/29/39/18/386293918.db2.gz FYHBMZPFVUYVRL-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000336666372 386294297 /nfs/dbraw/zinc/29/42/97/386294297.db2.gz GDNVYGSRNIHMIO-JTQLQIEISA-N 1 2 241.360 0.720 20 0 BCADLO Cn1ccnc1C[N@H+]1CCSC[C@@H]1CCO ZINC000336666372 386294300 /nfs/dbraw/zinc/29/43/00/386294300.db2.gz GDNVYGSRNIHMIO-JTQLQIEISA-N 1 2 241.360 0.720 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000276293430 386296783 /nfs/dbraw/zinc/29/67/83/386296783.db2.gz PDQNAVCMOOZYTP-BQBZGAKWSA-N 1 2 211.265 0.871 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000336667638 386297033 /nfs/dbraw/zinc/29/70/33/386297033.db2.gz MKBUPPDAPMTDCY-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000336667638 386297039 /nfs/dbraw/zinc/29/70/39/386297039.db2.gz MKBUPPDAPMTDCY-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C[C@H](C)O)o1 ZINC000336668040 386297124 /nfs/dbraw/zinc/29/71/24/386297124.db2.gz DZQRLWVXWPDPMO-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C[C@H](C)O)o1 ZINC000336668040 386297129 /nfs/dbraw/zinc/29/71/29/386297129.db2.gz DZQRLWVXWPDPMO-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCOCC1 ZINC000298139215 386299655 /nfs/dbraw/zinc/29/96/55/386299655.db2.gz JTTCDCSHMIXNHS-UHFFFAOYSA-N 1 2 221.260 0.352 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1c(Cl)cnn1C ZINC000289424646 386302878 /nfs/dbraw/zinc/30/28/78/386302878.db2.gz JSGJUSHZMJDJAL-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000289424646 386302881 /nfs/dbraw/zinc/30/28/81/386302881.db2.gz JSGJUSHZMJDJAL-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)CC1(CO)CC1 ZINC000347255889 386308836 /nfs/dbraw/zinc/30/88/36/386308836.db2.gz VNSYTZCXADLAQQ-SECBINFHSA-N 1 2 224.308 0.580 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)CC1(CO)CC1 ZINC000347255889 386308840 /nfs/dbraw/zinc/30/88/40/386308840.db2.gz VNSYTZCXADLAQQ-SECBINFHSA-N 1 2 224.308 0.580 20 0 BCADLO CC[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000336674356 386309444 /nfs/dbraw/zinc/30/94/44/386309444.db2.gz LRTRQSFJFYSKKJ-RYUDHWBXSA-N 1 2 228.336 0.164 20 0 BCADLO CCC[C@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000265147915 386309993 /nfs/dbraw/zinc/30/99/93/386309993.db2.gz PCEJHSUKNHZLDH-VIFPVBQESA-N 1 2 240.307 0.380 20 0 BCADLO CCC(=O)N1CC[N@H+](CCOC(C)C)C1 ZINC000425516993 386310408 /nfs/dbraw/zinc/31/04/08/386310408.db2.gz KEPKKHZBMHNRGW-UHFFFAOYSA-N 1 2 214.309 0.923 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCOC(C)C)C1 ZINC000425516993 386310411 /nfs/dbraw/zinc/31/04/11/386310411.db2.gz KEPKKHZBMHNRGW-UHFFFAOYSA-N 1 2 214.309 0.923 20 0 BCADLO Cn1nnc(CSCCn2cc[nH+]c2)n1 ZINC000289463494 386311341 /nfs/dbraw/zinc/31/13/41/386311341.db2.gz VGZPAWHUXWSUMP-UHFFFAOYSA-N 1 2 224.293 0.340 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@H]1CCCNC1=O ZINC000336669864 386312300 /nfs/dbraw/zinc/31/23/00/386312300.db2.gz IBPSPVPRLMMXFO-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@H]1CCCNC1=O ZINC000336669864 386312304 /nfs/dbraw/zinc/31/23/04/386312304.db2.gz IBPSPVPRLMMXFO-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO C[N@H+](CCC(F)(F)F)[C@H]1CCNC1=O ZINC000336669500 386312553 /nfs/dbraw/zinc/31/25/53/386312553.db2.gz FCQCZPZJNWVDKQ-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[N@@H+](CCC(F)(F)F)[C@H]1CCNC1=O ZINC000336669500 386312561 /nfs/dbraw/zinc/31/25/61/386312561.db2.gz FCQCZPZJNWVDKQ-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO CO[C@H](C)C[N@H+](Cc1nnn(C)n1)C(C)C ZINC000336670844 386315560 /nfs/dbraw/zinc/31/55/60/386315560.db2.gz XYJISPUTAXQZKZ-SECBINFHSA-N 1 2 227.312 0.455 20 0 BCADLO CO[C@H](C)C[N@@H+](Cc1nnn(C)n1)C(C)C ZINC000336670844 386315563 /nfs/dbraw/zinc/31/55/63/386315563.db2.gz XYJISPUTAXQZKZ-SECBINFHSA-N 1 2 227.312 0.455 20 0 BCADLO C[N@H+](CCN1CCNC1=O)Cc1ccon1 ZINC000336678872 386318544 /nfs/dbraw/zinc/31/85/44/386318544.db2.gz WPZJPBLBBZJFPS-UHFFFAOYSA-N 1 2 224.264 0.132 20 0 BCADLO C[N@@H+](CCN1CCNC1=O)Cc1ccon1 ZINC000336678872 386318548 /nfs/dbraw/zinc/31/85/48/386318548.db2.gz WPZJPBLBBZJFPS-UHFFFAOYSA-N 1 2 224.264 0.132 20 0 BCADLO COC1(C)CC[NH+](Cc2ncnn2C)CC1 ZINC000336671188 386319295 /nfs/dbraw/zinc/31/92/95/386319295.db2.gz SBXDEMOARQIOMU-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000289516541 386319807 /nfs/dbraw/zinc/31/98/07/386319807.db2.gz FRJSPSPLFBYYOH-NSHDSACASA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000289516541 386319812 /nfs/dbraw/zinc/31/98/12/386319812.db2.gz FRJSPSPLFBYYOH-NSHDSACASA-N 1 2 239.319 0.576 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000289518650 386321129 /nfs/dbraw/zinc/32/11/29/386321129.db2.gz AZINWIWEGWYBLU-IONNQARKSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000289518650 386321135 /nfs/dbraw/zinc/32/11/35/386321135.db2.gz AZINWIWEGWYBLU-IONNQARKSA-N 1 2 239.275 0.934 20 0 BCADLO C[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000289529801 386322679 /nfs/dbraw/zinc/32/26/79/386322679.db2.gz ADRNBPQNKVYQGQ-MRVPVSSYSA-N 1 2 234.259 0.837 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(C)(F)F ZINC000289108991 386262553 /nfs/dbraw/zinc/26/25/53/386262553.db2.gz DVCIQFFPDJHGQM-UHFFFAOYSA-N 1 2 203.192 0.692 20 0 BCADLO Cc1ncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000264702175 386263816 /nfs/dbraw/zinc/26/38/16/386263816.db2.gz BYPNCWKUMRYDRZ-MRVPVSSYSA-N 1 2 233.275 0.733 20 0 BCADLO COc1ccncc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000347156801 386264167 /nfs/dbraw/zinc/26/41/67/386264167.db2.gz OHYDAKJKSIZQDO-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccncc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000347156801 386264171 /nfs/dbraw/zinc/26/41/71/386264171.db2.gz OHYDAKJKSIZQDO-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COC(=O)COCC(=O)Nc1cc[nH+]c(C)c1 ZINC000289128776 386266255 /nfs/dbraw/zinc/26/62/55/386266255.db2.gz SGHAFWNBSZJEQE-UHFFFAOYSA-N 1 2 238.243 0.518 20 0 BCADLO CCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC000339248569 386323763 /nfs/dbraw/zinc/32/37/63/386323763.db2.gz ZOMFYHMRUQMWLD-UHFFFAOYSA-N 1 2 211.265 0.101 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)nc1 ZINC000353591661 386267409 /nfs/dbraw/zinc/26/74/09/386267409.db2.gz LQLLLBOWAWBSFJ-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)nc1 ZINC000353591661 386267412 /nfs/dbraw/zinc/26/74/12/386267412.db2.gz LQLLLBOWAWBSFJ-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO CCC[C@](C)([NH2+]CCn1cncn1)C(=O)OC ZINC000264735252 386267461 /nfs/dbraw/zinc/26/74/61/386267461.db2.gz QLTRVDMZQXZPAF-NSHDSACASA-N 1 2 240.307 0.600 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000336653316 386269752 /nfs/dbraw/zinc/26/97/52/386269752.db2.gz YACDXQOOFXTDGV-UHFFFAOYSA-N 1 2 207.281 0.992 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000336653316 386269756 /nfs/dbraw/zinc/26/97/56/386269756.db2.gz YACDXQOOFXTDGV-UHFFFAOYSA-N 1 2 207.281 0.992 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+]([C@@H]1CCNC1=O)CCO2 ZINC000329910455 386272007 /nfs/dbraw/zinc/27/20/07/386272007.db2.gz NHHWUTUPQBGEON-UMNHJUIQSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+]([C@@H]1CCNC1=O)CCO2 ZINC000329910455 386272010 /nfs/dbraw/zinc/27/20/10/386272010.db2.gz NHHWUTUPQBGEON-UMNHJUIQSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+]([C@H]1CCNC1=O)CCO2 ZINC000329910454 386272281 /nfs/dbraw/zinc/27/22/81/386272281.db2.gz NHHWUTUPQBGEON-NHCYSSNCSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+]([C@H]1CCNC1=O)CCO2 ZINC000329910454 386272287 /nfs/dbraw/zinc/27/22/87/386272287.db2.gz NHHWUTUPQBGEON-NHCYSSNCSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@H]1CCNC1=O)CCO2 ZINC000329910453 386272646 /nfs/dbraw/zinc/27/26/46/386272646.db2.gz NHHWUTUPQBGEON-JBLDHEPKSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+]([C@H]1CCNC1=O)CCO2 ZINC000329910453 386272657 /nfs/dbraw/zinc/27/26/57/386272657.db2.gz NHHWUTUPQBGEON-JBLDHEPKSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000416314279 386273015 /nfs/dbraw/zinc/27/30/15/386273015.db2.gz AVGLMGHNNMXWIT-KXNHARMFSA-N 1 2 240.347 0.820 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000416314279 386273019 /nfs/dbraw/zinc/27/30/19/386273019.db2.gz AVGLMGHNNMXWIT-KXNHARMFSA-N 1 2 240.347 0.820 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cnn1 ZINC000276123171 386276323 /nfs/dbraw/zinc/27/63/23/386276323.db2.gz XHSWVMVGENMOOJ-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO Cn1cncc1C(=O)NCCNc1cccc[nH+]1 ZINC000289251969 386277553 /nfs/dbraw/zinc/27/75/53/386277553.db2.gz BNMLZUIMDDJZEA-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO C[C@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000276137119 386277814 /nfs/dbraw/zinc/27/78/14/386277814.db2.gz CAEIIPQYBPNGQV-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cc(C)on2)C[C@H]1OC ZINC000336661882 386279549 /nfs/dbraw/zinc/27/95/49/386279549.db2.gz AWRRVHRYLUYBER-GHMZBOCLSA-N 1 2 226.276 0.829 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000347346411 386341472 /nfs/dbraw/zinc/34/14/72/386341472.db2.gz HAJNRWDXMFESOZ-CMPLNLGQSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000347346411 386341475 /nfs/dbraw/zinc/34/14/75/386341475.db2.gz HAJNRWDXMFESOZ-CMPLNLGQSA-N 1 2 244.310 0.716 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339289552 386343823 /nfs/dbraw/zinc/34/38/23/386343823.db2.gz LKFCQYDLSJNSNL-OIBJUYFYSA-N 1 2 225.292 0.855 20 0 BCADLO Cc1ccnc(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000265503295 386345153 /nfs/dbraw/zinc/34/51/53/386345153.db2.gz ITFDACXDHOIVQZ-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000265503294 386345643 /nfs/dbraw/zinc/34/56/43/386345643.db2.gz ITFDACXDHOIVQZ-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C(=O)NCC1CC1 ZINC000276569025 386346859 /nfs/dbraw/zinc/34/68/59/386346859.db2.gz VIQHIPWIDBDTPP-UHFFFAOYSA-N 1 2 233.271 0.855 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347311105 386353204 /nfs/dbraw/zinc/35/32/04/386353204.db2.gz BBVVYOIZDMKGPO-OLBFVZFUSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347311105 386353209 /nfs/dbraw/zinc/35/32/09/386353209.db2.gz BBVVYOIZDMKGPO-OLBFVZFUSA-N 1 2 233.333 0.391 20 0 BCADLO CC[C@@H](COC)NC(=O)CCc1c[nH+]cn1C ZINC000276635733 386358111 /nfs/dbraw/zinc/35/81/11/386358111.db2.gz UFVPGWSWZLHBAI-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H](CCO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265691544 386359667 /nfs/dbraw/zinc/35/96/67/386359667.db2.gz FRWGERDPASSGFT-NXEZZACHSA-N 1 2 240.307 0.342 20 0 BCADLO C[C@@H](CCCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276662381 386361520 /nfs/dbraw/zinc/36/15/20/386361520.db2.gz YFOGNOYVOFTTAN-MOVJSRMASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1nnc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)s1 ZINC000347324091 386362197 /nfs/dbraw/zinc/36/21/97/386362197.db2.gz YCBDMJGJIAECKI-DTORHVGOSA-N 1 2 243.332 0.164 20 0 BCADLO Cc1nnc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)s1 ZINC000347324091 386362206 /nfs/dbraw/zinc/36/22/06/386362206.db2.gz YCBDMJGJIAECKI-DTORHVGOSA-N 1 2 243.332 0.164 20 0 BCADLO CCONC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000298610910 386362494 /nfs/dbraw/zinc/36/24/94/386362494.db2.gz JZQUCHCVZKCVHI-UHFFFAOYSA-N 1 2 238.291 0.898 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289845958 386362519 /nfs/dbraw/zinc/36/25/19/386362519.db2.gz KLEJGQCKVVCFDP-APPZFPTMSA-N 1 2 242.710 0.657 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289845958 386362525 /nfs/dbraw/zinc/36/25/25/386362525.db2.gz KLEJGQCKVVCFDP-APPZFPTMSA-N 1 2 242.710 0.657 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@](C)(O)C2)c[nH+]1 ZINC000335273014 386362840 /nfs/dbraw/zinc/36/28/40/386362840.db2.gz WCCAOPJXAIEZRG-WKFQBHICSA-N 1 2 209.249 0.361 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366327036 386363202 /nfs/dbraw/zinc/36/32/02/386363202.db2.gz LFSVVYBTDDUSMV-MNOVXSKESA-N 1 2 207.277 0.665 20 0 BCADLO Cc1cnn(CC[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366327036 386363207 /nfs/dbraw/zinc/36/32/07/386363207.db2.gz LFSVVYBTDDUSMV-MNOVXSKESA-N 1 2 207.277 0.665 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336692770 386366132 /nfs/dbraw/zinc/36/61/32/386366132.db2.gz ISVDJFIRPYBKGD-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336692770 386366136 /nfs/dbraw/zinc/36/61/36/386366136.db2.gz ISVDJFIRPYBKGD-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2CCN(C3CC3)C2=O)cn1 ZINC000336693924 386368463 /nfs/dbraw/zinc/36/84/63/386368463.db2.gz BWBFURODRWKWQK-LBPRGKRZSA-N 1 2 248.330 0.615 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2=O)cn1 ZINC000336693924 386368469 /nfs/dbraw/zinc/36/84/69/386368469.db2.gz BWBFURODRWKWQK-LBPRGKRZSA-N 1 2 248.330 0.615 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347370296 386369012 /nfs/dbraw/zinc/36/90/12/386369012.db2.gz LQWAKOHKRHKCEF-GFCCVEGCSA-N 1 2 246.326 0.650 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347370296 386369016 /nfs/dbraw/zinc/36/90/16/386369016.db2.gz LQWAKOHKRHKCEF-GFCCVEGCSA-N 1 2 246.326 0.650 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cc(C)n(C)n2)C[C@H]1OC ZINC000336696244 386375132 /nfs/dbraw/zinc/37/51/32/386375132.db2.gz QNYBQSHTLSAPPT-VXGBXAGGSA-N 1 2 239.319 0.574 20 0 BCADLO Cc1cnc(CN2CCn3cc[nH+]c3C2)cn1 ZINC000336695629 386375142 /nfs/dbraw/zinc/37/51/42/386375142.db2.gz JLNXPELTUHFKLU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@H](CNC(=O)[C@@H]1CCOC1)Cn1cc[nH+]c1 ZINC000265843356 386378047 /nfs/dbraw/zinc/37/80/47/386378047.db2.gz SJYLOUFTSLDPQN-GHMZBOCLSA-N 1 2 237.303 0.672 20 0 BCADLO COC[C@@](C)([NH2+]C[C@H]1CCOC1)C(=O)OC ZINC000336775145 386381356 /nfs/dbraw/zinc/38/13/56/386381356.db2.gz YEWTVINUOQRFFL-MWLCHTKSSA-N 1 2 231.292 0.191 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347394507 386381733 /nfs/dbraw/zinc/38/17/33/386381733.db2.gz WBJDXGORVYHEDC-NSHDSACASA-N 1 2 245.298 0.656 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347394507 386381740 /nfs/dbraw/zinc/38/17/40/386381740.db2.gz WBJDXGORVYHEDC-NSHDSACASA-N 1 2 245.298 0.656 20 0 BCADLO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)nnn1C ZINC000265915657 386384820 /nfs/dbraw/zinc/38/48/20/386384820.db2.gz AHVOAMXJAOBHRL-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347326940 386326049 /nfs/dbraw/zinc/32/60/49/386326049.db2.gz FOJABHVYRBDZLI-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347326940 386326052 /nfs/dbraw/zinc/32/60/52/386326052.db2.gz FOJABHVYRBDZLI-CMPLNLGQSA-N 1 2 246.326 0.698 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347337301 386331890 /nfs/dbraw/zinc/33/18/90/386331890.db2.gz AUAFHPMKJNHCRG-ZYHUDNBSSA-N 1 2 245.294 0.734 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347337301 386331897 /nfs/dbraw/zinc/33/18/97/386331897.db2.gz AUAFHPMKJNHCRG-ZYHUDNBSSA-N 1 2 245.294 0.734 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000334484085 386332832 /nfs/dbraw/zinc/33/28/32/386332832.db2.gz ZFEUEIGNBLVVKV-GHMZBOCLSA-N 1 2 248.330 0.613 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000334484085 386332836 /nfs/dbraw/zinc/33/28/36/386332836.db2.gz ZFEUEIGNBLVVKV-GHMZBOCLSA-N 1 2 248.330 0.613 20 0 BCADLO CCn1cc[nH+]c1CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000334484085 386332843 /nfs/dbraw/zinc/33/28/43/386332843.db2.gz ZFEUEIGNBLVVKV-GHMZBOCLSA-N 1 2 248.330 0.613 20 0 BCADLO CCn1ncnc1C[N@H+](CC)CCOC ZINC000347337065 386334022 /nfs/dbraw/zinc/33/40/22/386334022.db2.gz KZSYNOLOVALKHF-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)CCOC ZINC000347337065 386334026 /nfs/dbraw/zinc/33/40/26/386334026.db2.gz KZSYNOLOVALKHF-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC000276508495 386334509 /nfs/dbraw/zinc/33/45/09/386334509.db2.gz IOSNAAMKTFEUBW-FSIBCCDJSA-N 1 2 221.260 0.718 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000276512778 386337654 /nfs/dbraw/zinc/33/76/54/386337654.db2.gz KVJMEAROAPMKGQ-GARJFASQSA-N 1 2 237.303 0.673 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H]1O ZINC000276511459 386338162 /nfs/dbraw/zinc/33/81/62/386338162.db2.gz BHDWBBAJOCSHKS-PVTPVBHGSA-N 1 2 235.287 0.843 20 0 BCADLO CO[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000408408570 386437223 /nfs/dbraw/zinc/43/72/23/386437223.db2.gz ZMYYSXURIANWKX-SSDOTTSWSA-N 1 2 248.290 0.171 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339467421 386442028 /nfs/dbraw/zinc/44/20/28/386442028.db2.gz JGCBUPDDUXHWQT-UWVGGRQHSA-N 1 2 237.303 0.771 20 0 BCADLO CCN(CC)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000519426257 386443790 /nfs/dbraw/zinc/44/37/90/386443790.db2.gz GQMFOZDZIJQOTL-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO CCN(CC)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000519426257 386443795 /nfs/dbraw/zinc/44/37/95/386443795.db2.gz GQMFOZDZIJQOTL-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)nc(C)n1 ZINC000347540836 386444724 /nfs/dbraw/zinc/44/47/24/386444724.db2.gz ZMTOGUNDTIPXCN-UHFFFAOYSA-N 1 2 245.286 0.720 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347545162 386446088 /nfs/dbraw/zinc/44/60/88/386446088.db2.gz UGIYXVBPCKWOLK-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347545162 386446093 /nfs/dbraw/zinc/44/60/93/386446093.db2.gz UGIYXVBPCKWOLK-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347551282 386446139 /nfs/dbraw/zinc/44/61/39/386446139.db2.gz HCZUDYDGCNTWIK-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347551282 386446146 /nfs/dbraw/zinc/44/61/46/386446146.db2.gz HCZUDYDGCNTWIK-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347546777 386447802 /nfs/dbraw/zinc/44/78/02/386447802.db2.gz WFSZJWANRIQSRN-APPZFPTMSA-N 1 2 222.292 0.495 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347546777 386447810 /nfs/dbraw/zinc/44/78/10/386447810.db2.gz WFSZJWANRIQSRN-APPZFPTMSA-N 1 2 222.292 0.495 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)[C@H]2CCOC2)c[nH+]1 ZINC000266545954 386449547 /nfs/dbraw/zinc/44/95/47/386449547.db2.gz KUVBSYDUDGOMJE-APPZFPTMSA-N 1 2 223.276 0.873 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCSC1 ZINC000266534887 386449871 /nfs/dbraw/zinc/44/98/71/386449871.db2.gz PUXISCXFWLFTQZ-QMMMGPOBSA-N 1 2 240.332 0.725 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)CC(N)=O)s1 ZINC000266020043 386391549 /nfs/dbraw/zinc/39/15/49/386391549.db2.gz WHLJGDGNOUKLDE-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)CC(N)=O)s1 ZINC000266020043 386391554 /nfs/dbraw/zinc/39/15/54/386391554.db2.gz WHLJGDGNOUKLDE-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C1CC1 ZINC000266075882 386395167 /nfs/dbraw/zinc/39/51/67/386395167.db2.gz ARGNNMBNRMVYSI-QMMMGPOBSA-N 1 2 229.305 0.353 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000182216464 386397066 /nfs/dbraw/zinc/39/70/66/386397066.db2.gz MTUAXCUJMSOJSN-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000182216464 386397071 /nfs/dbraw/zinc/39/70/71/386397071.db2.gz MTUAXCUJMSOJSN-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000290156619 386401822 /nfs/dbraw/zinc/40/18/22/386401822.db2.gz XCZZUMYBZWXVEW-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000290156619 386401826 /nfs/dbraw/zinc/40/18/26/386401826.db2.gz XCZZUMYBZWXVEW-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298993147 386402082 /nfs/dbraw/zinc/40/20/82/386402082.db2.gz IWPXTZNSRUINMS-HBNTYKKESA-N 1 2 237.303 0.813 20 0 BCADLO COC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000331998644 386403886 /nfs/dbraw/zinc/40/38/86/386403886.db2.gz PQRIJHULBNGPKL-UHFFFAOYSA-N 1 2 209.249 0.595 20 0 BCADLO COC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000331998644 386403888 /nfs/dbraw/zinc/40/38/88/386403888.db2.gz PQRIJHULBNGPKL-UHFFFAOYSA-N 1 2 209.249 0.595 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@H](C)C2)n1C ZINC000336702764 386408466 /nfs/dbraw/zinc/40/84/66/386408466.db2.gz NZUWXALOGFXVCK-SECBINFHSA-N 1 2 224.308 0.592 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@H](C)C2)n1C ZINC000336702764 386408471 /nfs/dbraw/zinc/40/84/71/386408471.db2.gz NZUWXALOGFXVCK-SECBINFHSA-N 1 2 224.308 0.592 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000336707219 386409817 /nfs/dbraw/zinc/40/98/17/386409817.db2.gz OLOOYWCJVQPELW-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000336707219 386409822 /nfs/dbraw/zinc/40/98/22/386409822.db2.gz OLOOYWCJVQPELW-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnn1C ZINC000339407449 386411988 /nfs/dbraw/zinc/41/19/88/386411988.db2.gz MOXDMHNOQFIZKZ-SECBINFHSA-N 1 2 248.290 0.827 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)OC[C@@H]1CCCO1 ZINC000290249177 386412179 /nfs/dbraw/zinc/41/21/79/386412179.db2.gz RGWVNCBNXUHHEL-JTQLQIEISA-N 1 2 239.275 0.825 20 0 BCADLO Cn1c[nH+]cc1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000336707744 386414827 /nfs/dbraw/zinc/41/48/27/386414827.db2.gz HWFUQSFABHCHGA-SNVBAGLBSA-N 1 2 234.303 0.227 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000347461659 386414863 /nfs/dbraw/zinc/41/48/63/386414863.db2.gz YDTCMFKJELOYOP-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000347461659 386414868 /nfs/dbraw/zinc/41/48/68/386414868.db2.gz YDTCMFKJELOYOP-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO C[C@@H](CNc1nc2n[nH]cc2c(=O)[nH]1)[NH+](C)C ZINC000277203962 386418171 /nfs/dbraw/zinc/41/81/71/386418171.db2.gz YARHECDSHPESKS-LURJTMIESA-N 1 2 236.279 0.421 20 0 BCADLO C[C@@H](CNc1nc2[nH]ncc2c(=O)[nH]1)[NH+](C)C ZINC000277203962 386418175 /nfs/dbraw/zinc/41/81/75/386418175.db2.gz YARHECDSHPESKS-LURJTMIESA-N 1 2 236.279 0.421 20 0 BCADLO CCN(CCCO)C(=O)NCCn1cc[nH+]c1 ZINC000266265920 386418451 /nfs/dbraw/zinc/41/84/51/386418451.db2.gz ACEIJADHCBFPLS-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000336708671 386419845 /nfs/dbraw/zinc/41/98/45/386419845.db2.gz YJZHOOVKXXTTTL-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000336708671 386419854 /nfs/dbraw/zinc/41/98/54/386419854.db2.gz YJZHOOVKXXTTTL-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)[C@@H](C)CO)nc[nH+]1 ZINC000299166827 386423593 /nfs/dbraw/zinc/42/35/93/386423593.db2.gz ZVTKNAUKSJRXCS-DTWKUNHWSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)[C@@H](C)CO)[nH+]cn1 ZINC000299166827 386423598 /nfs/dbraw/zinc/42/35/98/386423598.db2.gz ZVTKNAUKSJRXCS-DTWKUNHWSA-N 1 2 240.307 0.086 20 0 BCADLO COC[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000277405221 386433491 /nfs/dbraw/zinc/43/34/91/386433491.db2.gz LGMBYBFYQZCLSQ-XNPJLODASA-N 1 2 223.276 0.916 20 0 BCADLO Cc1cnc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc1 ZINC000336730693 386466625 /nfs/dbraw/zinc/46/66/25/386466625.db2.gz PZUFROLGKYFJDQ-NEPJUHHUSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1cnc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc1 ZINC000336730693 386466627 /nfs/dbraw/zinc/46/66/27/386466627.db2.gz PZUFROLGKYFJDQ-NEPJUHHUSA-N 1 2 248.330 0.300 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccoc1C ZINC000414440302 386466984 /nfs/dbraw/zinc/46/69/84/386466984.db2.gz UPJHOJGOEJKPCU-QWRGUYRKSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccoc1C ZINC000414440302 386466992 /nfs/dbraw/zinc/46/69/92/386466992.db2.gz UPJHOJGOEJKPCU-QWRGUYRKSA-N 1 2 239.271 0.696 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)no1 ZINC000061512904 386468201 /nfs/dbraw/zinc/46/82/01/386468201.db2.gz DARVEONWWJWJPT-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CCN(C2CC2)C1=O ZINC000336736915 386473793 /nfs/dbraw/zinc/47/37/93/386473793.db2.gz YWZSOFSLACBDJX-NSHDSACASA-N 1 2 248.330 0.615 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000290779195 386476468 /nfs/dbraw/zinc/47/64/68/386476468.db2.gz RTAQDDUCNBYGCO-RKDXNWHRSA-N 1 2 240.307 0.643 20 0 BCADLO CO[C@H]1COC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000290782114 386476795 /nfs/dbraw/zinc/47/67/95/386476795.db2.gz WMQDKMZSODAHNF-IUCAKERBSA-N 1 2 249.274 0.189 20 0 BCADLO C[C@H](Cn1ccnc1)NC(=O)CCn1cc[nH+]c1 ZINC000299647963 386477225 /nfs/dbraw/zinc/47/72/25/386477225.db2.gz KCNXVNXZVIEPFJ-LLVKDONJSA-N 1 2 247.302 0.675 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1ccnc1 ZINC000299647963 386477230 /nfs/dbraw/zinc/47/72/30/386477230.db2.gz KCNXVNXZVIEPFJ-LLVKDONJSA-N 1 2 247.302 0.675 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(F)F ZINC000519533846 386479018 /nfs/dbraw/zinc/47/90/18/386479018.db2.gz SWCFLWDJHAHNKJ-UHFFFAOYSA-N 1 2 203.192 0.344 20 0 BCADLO Cn1nccc1CC(=O)NCCCn1cc[nH+]c1 ZINC000278019407 386481730 /nfs/dbraw/zinc/48/17/30/386481730.db2.gz OXAJTJOYLALHDV-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)[nH]n1 ZINC000290882990 386484239 /nfs/dbraw/zinc/48/42/39/386484239.db2.gz DZAFACKOWQJSIL-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)n[nH]1 ZINC000290882990 386484241 /nfs/dbraw/zinc/48/42/41/386484241.db2.gz DZAFACKOWQJSIL-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO CCC[C@@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000336745933 386485900 /nfs/dbraw/zinc/48/59/00/386485900.db2.gz ARQYDIVSXGYYCR-MRVPVSSYSA-N 1 2 208.265 0.851 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000183343222 386490234 /nfs/dbraw/zinc/49/02/34/386490234.db2.gz DKSVWZSJIUBASK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000183343222 386490239 /nfs/dbraw/zinc/49/02/39/386490239.db2.gz DKSVWZSJIUBASK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO O=C([C@H]1CCCOC1)N1CCn2c[nH+]cc2C1 ZINC000290941092 386490430 /nfs/dbraw/zinc/49/04/30/386490430.db2.gz OLANWFVOLBGGEV-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c[nH+]1 ZINC000267062465 386492883 /nfs/dbraw/zinc/49/28/83/386492883.db2.gz AAXLWGUXQWVBLR-DTWKUNHWSA-N 1 2 221.260 0.385 20 0 BCADLO COCC[N@H+](CC(=O)OC)CC1(C)COC1 ZINC000441377186 386499477 /nfs/dbraw/zinc/49/94/77/386499477.db2.gz AGBFJEJEHFLNMH-UHFFFAOYSA-N 1 2 231.292 0.144 20 0 BCADLO COCC[N@@H+](CC(=O)OC)CC1(C)COC1 ZINC000441377186 386499483 /nfs/dbraw/zinc/49/94/83/386499483.db2.gz AGBFJEJEHFLNMH-UHFFFAOYSA-N 1 2 231.292 0.144 20 0 BCADLO CCc1n[nH]cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000291003912 386500317 /nfs/dbraw/zinc/50/03/17/386500317.db2.gz ZAWRMHCIFFITES-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267161083 386503663 /nfs/dbraw/zinc/50/36/63/386503663.db2.gz GLJVYLUHNWYRCE-JGVFFNPUSA-N 1 2 237.259 0.143 20 0 BCADLO O=S(=O)(CC1CC1)NCCn1cc[nH+]c1 ZINC000267171528 386504947 /nfs/dbraw/zinc/50/49/47/386504947.db2.gz IOWQJSMTGHSILI-UHFFFAOYSA-N 1 2 229.305 0.213 20 0 BCADLO C[C@@H](O)CN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000291254754 386529899 /nfs/dbraw/zinc/52/98/99/386529899.db2.gz BEPALIUFYBLGAU-NXEZZACHSA-N 1 2 240.307 0.294 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336784868 386512035 /nfs/dbraw/zinc/51/20/35/386512035.db2.gz ZHWQERKRDBIMJE-UHFFFAOYSA-N 1 2 248.330 0.269 20 0 BCADLO Cn1nccc1CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336784868 386512042 /nfs/dbraw/zinc/51/20/42/386512042.db2.gz ZHWQERKRDBIMJE-UHFFFAOYSA-N 1 2 248.330 0.269 20 0 BCADLO C[C@@H](CCO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278381471 386518660 /nfs/dbraw/zinc/51/86/60/386518660.db2.gz LPFLUZAIQHXRIL-LURJTMIESA-N 1 2 236.279 0.128 20 0 BCADLO CC[C@@]1(C)C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000647972158 386519523 /nfs/dbraw/zinc/51/95/23/386519523.db2.gz NEOWNJFSHLQXSV-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000647972158 386519531 /nfs/dbraw/zinc/51/95/31/386519531.db2.gz NEOWNJFSHLQXSV-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](O)C1 ZINC000191909540 386523900 /nfs/dbraw/zinc/52/39/00/386523900.db2.gz WYTMWYGNUPWOMV-SCZZXKLOSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](O)C1 ZINC000191909540 386523907 /nfs/dbraw/zinc/52/39/07/386523907.db2.gz WYTMWYGNUPWOMV-SCZZXKLOSA-N 1 2 237.307 0.526 20 0 BCADLO COC[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339693803 386524499 /nfs/dbraw/zinc/52/44/99/386524499.db2.gz DJQXIXSCDIHAMF-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO COC(C)(C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000336754900 386524593 /nfs/dbraw/zinc/52/45/93/386524593.db2.gz HTLINVGPLIQQBQ-SSDOTTSWSA-N 1 2 213.285 0.113 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000366392885 386460465 /nfs/dbraw/zinc/46/04/65/386460465.db2.gz BHSMHDZPJSLYKH-MYJAWHEDSA-N 1 2 237.303 0.692 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000366392885 386460470 /nfs/dbraw/zinc/46/04/70/386460470.db2.gz BHSMHDZPJSLYKH-MYJAWHEDSA-N 1 2 237.303 0.692 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cn[nH]c2)c[nH+]1 ZINC000290667018 386465758 /nfs/dbraw/zinc/46/57/58/386465758.db2.gz YFLMQUYFRRCGCE-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO Cn1c2ccccc2nc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278729976 386574369 /nfs/dbraw/zinc/57/43/69/386574369.db2.gz LCFMENOQLKMDEH-TXEJJXNPSA-N 1 2 247.298 0.111 20 0 BCADLO Cn1c2ccccc2nc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278729976 386574373 /nfs/dbraw/zinc/57/43/73/386574373.db2.gz LCFMENOQLKMDEH-TXEJJXNPSA-N 1 2 247.298 0.111 20 0 BCADLO COC(=O)c1ccc(=O)n(Cc2c[nH+]cn2C)c1 ZINC000267769172 386583095 /nfs/dbraw/zinc/58/30/95/386583095.db2.gz KPBQFYQSYNVLRA-UHFFFAOYSA-N 1 2 247.254 0.417 20 0 BCADLO CC(C)[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267782660 386583133 /nfs/dbraw/zinc/58/31/33/386583133.db2.gz NSFZZYIUCHHCJN-SECBINFHSA-N 1 2 236.275 0.497 20 0 BCADLO Cn1cncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000278781140 386583487 /nfs/dbraw/zinc/58/34/87/386583487.db2.gz HKEYHVRFPHILQC-UHFFFAOYSA-N 1 2 234.303 0.340 20 0 BCADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000267827082 386589822 /nfs/dbraw/zinc/58/98/22/386589822.db2.gz HYYDNQQZMHRVPR-ZETCQYMHSA-N 1 2 225.248 0.400 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)C1CC1 ZINC000329038920 386596012 /nfs/dbraw/zinc/59/60/12/386596012.db2.gz SCEUVOWVCWCDDH-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CCCO2)c[nH+]1 ZINC000061680506 386533541 /nfs/dbraw/zinc/53/35/41/386533541.db2.gz OZBYOCAAQOFZNU-MRVPVSSYSA-N 1 2 207.233 0.781 20 0 BCADLO C[C@@H](CNC(=O)c1ncn(C)n1)Cn1cc[nH+]c1 ZINC000291880737 386596762 /nfs/dbraw/zinc/59/67/62/386596762.db2.gz IGCDKFCDPOSZMN-VIFPVBQESA-N 1 2 248.290 0.078 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)NC1CC1 ZINC000278511275 386536947 /nfs/dbraw/zinc/53/69/47/386536947.db2.gz BKZYXMHJWDVUQV-LLVKDONJSA-N 1 2 234.303 0.825 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1c1cc[nH]n1)NC1CC1 ZINC000278511275 386536951 /nfs/dbraw/zinc/53/69/51/386536951.db2.gz BKZYXMHJWDVUQV-LLVKDONJSA-N 1 2 234.303 0.825 20 0 BCADLO CN(c1nc2c(cnn2C)c(N)[nH+]1)[C@H]1CCOC1 ZINC000278504594 386537163 /nfs/dbraw/zinc/53/71/63/386537163.db2.gz XPBTZLWOAHBTFP-ZETCQYMHSA-N 1 2 248.290 0.171 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000291370390 386538770 /nfs/dbraw/zinc/53/87/70/386538770.db2.gz ZGXUMTOTNGESEF-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC000291370390 386538775 /nfs/dbraw/zinc/53/87/75/386538775.db2.gz ZGXUMTOTNGESEF-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)on1 ZINC000519706037 386539497 /nfs/dbraw/zinc/53/94/97/386539497.db2.gz NSQIUWUYZIJWEH-LLVKDONJSA-N 1 2 236.271 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)on1 ZINC000519706037 386539504 /nfs/dbraw/zinc/53/95/04/386539504.db2.gz NSQIUWUYZIJWEH-LLVKDONJSA-N 1 2 236.271 0.834 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291389351 386540008 /nfs/dbraw/zinc/54/00/08/386540008.db2.gz BHBAOPCHHKSDBK-NXEZZACHSA-N 1 2 221.260 0.445 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291389351 386540014 /nfs/dbraw/zinc/54/00/14/386540014.db2.gz BHBAOPCHHKSDBK-NXEZZACHSA-N 1 2 221.260 0.445 20 0 BCADLO COC[C@H](CO)[NH2+][C@H](C)c1cc(C)on1 ZINC000336733442 386543659 /nfs/dbraw/zinc/54/36/59/386543659.db2.gz MJYDFVXYKGOYQU-BDAKNGLRSA-N 1 2 214.265 0.641 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C1(C)CC1 ZINC000519767093 386551925 /nfs/dbraw/zinc/55/19/25/386551925.db2.gz GQHQDDDEHCSZGY-UHFFFAOYSA-N 1 2 229.305 0.724 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C1(C)CC1 ZINC000519767093 386551932 /nfs/dbraw/zinc/55/19/32/386551932.db2.gz GQHQDDDEHCSZGY-UHFFFAOYSA-N 1 2 229.305 0.724 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000047577339 386553083 /nfs/dbraw/zinc/55/30/83/386553083.db2.gz PYWUEDBAIUXLBI-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335423193 386597304 /nfs/dbraw/zinc/59/73/04/386597304.db2.gz XWLPIGMXDOEZKQ-LLVKDONJSA-N 1 2 244.360 0.330 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335423193 386597307 /nfs/dbraw/zinc/59/73/07/386597307.db2.gz XWLPIGMXDOEZKQ-LLVKDONJSA-N 1 2 244.360 0.330 20 0 BCADLO C[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061941854 386556794 /nfs/dbraw/zinc/55/67/94/386556794.db2.gz GPDZJHWHFVEMCH-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000519799320 386557730 /nfs/dbraw/zinc/55/77/30/386557730.db2.gz QNTPEGXDQUOKSY-GMTAPVOTSA-N 1 2 235.287 0.567 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c[nH+]cn1C ZINC000267608372 386560547 /nfs/dbraw/zinc/56/05/47/386560547.db2.gz NKDAWGKDJSTRDU-LYGAQUJYSA-N 1 2 241.360 0.761 20 0 BCADLO CN(Cc1c[nH+]cn1C)c1cnn(C)c1 ZINC000267646561 386565794 /nfs/dbraw/zinc/56/57/94/386565794.db2.gz WPWKUQFDCTZHEO-UHFFFAOYSA-N 1 2 205.265 0.790 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2ncnn2CCF)C1 ZINC000408423026 386570143 /nfs/dbraw/zinc/57/01/43/386570143.db2.gz NEUZDWPAXJGKAG-JTQLQIEISA-N 1 2 228.271 0.204 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000408423026 386570149 /nfs/dbraw/zinc/57/01/49/386570149.db2.gz NEUZDWPAXJGKAG-JTQLQIEISA-N 1 2 228.271 0.204 20 0 BCADLO CO[C@@](C)(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000291701622 386570577 /nfs/dbraw/zinc/57/05/77/386570577.db2.gz NSHZMPJGCCIGSR-GFCCVEGCSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000408422152 386570688 /nfs/dbraw/zinc/57/06/88/386570688.db2.gz FQYUGGRRNDUVFQ-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000408422152 386570693 /nfs/dbraw/zinc/57/06/93/386570693.db2.gz FQYUGGRRNDUVFQ-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CO1 ZINC000408423180 386570909 /nfs/dbraw/zinc/57/09/09/386570909.db2.gz WVBHQWVFMXBUBN-SFYZADRCSA-N 1 2 222.244 0.573 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2ncnn2CCF)C1 ZINC000408423028 386571921 /nfs/dbraw/zinc/57/19/21/386571921.db2.gz NEUZDWPAXJGKAG-SNVBAGLBSA-N 1 2 228.271 0.204 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000408423028 386571928 /nfs/dbraw/zinc/57/19/28/386571928.db2.gz NEUZDWPAXJGKAG-SNVBAGLBSA-N 1 2 228.271 0.204 20 0 BCADLO c1nc(N2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000243764367 386573010 /nfs/dbraw/zinc/57/30/10/386573010.db2.gz QDOBVKNXBZZFPC-UHFFFAOYSA-N 1 2 234.303 0.913 20 0 BCADLO c1nc(N2CCCC2)cc(N2CCOCC2)[nH+]1 ZINC000243764367 386573012 /nfs/dbraw/zinc/57/30/12/386573012.db2.gz QDOBVKNXBZZFPC-UHFFFAOYSA-N 1 2 234.303 0.913 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)CF ZINC000353097141 386619908 /nfs/dbraw/zinc/61/99/08/386619908.db2.gz LZJNVGDGFFOXPH-UHFFFAOYSA-N 1 2 228.271 0.967 20 0 BCADLO CO[C@@]1(C[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000156854983 386631862 /nfs/dbraw/zinc/63/18/62/386631862.db2.gz KNOUCJLRJLNEIA-SNVBAGLBSA-N 1 2 211.265 0.305 20 0 BCADLO COC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000428107711 386636760 /nfs/dbraw/zinc/63/67/60/386636760.db2.gz NGKZWSBTRCKLSQ-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC[N@H+](CCCO)Cc1nc(N(C)C)no1 ZINC000337177976 386637668 /nfs/dbraw/zinc/63/76/68/386637668.db2.gz KHPCIZWCEKNPGN-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc(N(C)C)no1 ZINC000337177976 386637675 /nfs/dbraw/zinc/63/76/75/386637675.db2.gz KHPCIZWCEKNPGN-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)c1ccc2[nH+]ccn2c1 ZINC000335507500 386639496 /nfs/dbraw/zinc/63/94/96/386639496.db2.gz PXSFIZUPAFFCOU-NXEZZACHSA-N 1 2 231.255 0.587 20 0 BCADLO C[C@@H](O)CN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000292279585 386644619 /nfs/dbraw/zinc/64/46/19/386644619.db2.gz JKXHWSQSJNGCIM-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@@H](O)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000292279585 386644625 /nfs/dbraw/zinc/64/46/25/386644625.db2.gz JKXHWSQSJNGCIM-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1nnc[nH]1 ZINC000279189221 386647173 /nfs/dbraw/zinc/64/71/73/386647173.db2.gz MUUGZPSSMVYYCJ-WCBMZHEXSA-N 1 2 249.318 0.609 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1nnc[nH]1 ZINC000279189221 386647180 /nfs/dbraw/zinc/64/71/80/386647180.db2.gz MUUGZPSSMVYYCJ-WCBMZHEXSA-N 1 2 249.318 0.609 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2ccon2)CCC1=O ZINC000647949332 386648670 /nfs/dbraw/zinc/64/86/70/386648670.db2.gz LOKAUMWTOWZMMG-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2ccon2)CCC1=O ZINC000647949332 386648672 /nfs/dbraw/zinc/64/86/72/386648672.db2.gz LOKAUMWTOWZMMG-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CC[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)OC ZINC000292327786 386650448 /nfs/dbraw/zinc/65/04/48/386650448.db2.gz USVFHIWZVKHUIW-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO c1cn(CCN2CCOC[C@H]2c2nc[nH]n2)c[nH+]1 ZINC000328919452 386653602 /nfs/dbraw/zinc/65/36/02/386653602.db2.gz SMKBVNDZYAOVMO-JTQLQIEISA-N 1 2 248.290 0.075 20 0 BCADLO c1cn(CCN2CCOC[C@H]2c2nnc[nH]2)c[nH+]1 ZINC000328919452 386653607 /nfs/dbraw/zinc/65/36/07/386653607.db2.gz SMKBVNDZYAOVMO-JTQLQIEISA-N 1 2 248.290 0.075 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000267940720 386599921 /nfs/dbraw/zinc/59/99/21/386599921.db2.gz PWFFDOMGNNENTH-KOLCDFICSA-N 1 2 237.303 0.999 20 0 BCADLO COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)[nH]1 ZINC000414803757 386601021 /nfs/dbraw/zinc/60/10/21/386601021.db2.gz NZGFAVKMZRAGNS-NSHDSACASA-N 1 2 237.303 0.628 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H](C)C1 ZINC000328649262 386603063 /nfs/dbraw/zinc/60/30/63/386603063.db2.gz IRMLDRUTIJGYDK-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H](C)C1 ZINC000328649262 386603073 /nfs/dbraw/zinc/60/30/73/386603073.db2.gz IRMLDRUTIJGYDK-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550357 386603817 /nfs/dbraw/zinc/60/38/17/386603817.db2.gz PCHZOGMTBRIDQA-JGVFFNPUSA-N 1 2 224.264 0.156 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550357 386603819 /nfs/dbraw/zinc/60/38/19/386603819.db2.gz PCHZOGMTBRIDQA-JGVFFNPUSA-N 1 2 224.264 0.156 20 0 BCADLO CC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000291958967 386604830 /nfs/dbraw/zinc/60/48/30/386604830.db2.gz FOEOLDVBVXFCIU-ORAHPGNNSA-N 1 2 223.276 0.964 20 0 BCADLO CCOCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000268465004 386654990 /nfs/dbraw/zinc/65/49/90/386654990.db2.gz LKIOBSJNLZAOIR-UHFFFAOYSA-N 1 2 248.290 0.693 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)C1(CO)CC1 ZINC000329091395 386605200 /nfs/dbraw/zinc/60/52/00/386605200.db2.gz WWRLOWMWDPNDMZ-UHFFFAOYSA-N 1 2 236.319 0.571 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)C1(CO)CC1 ZINC000329091395 386605203 /nfs/dbraw/zinc/60/52/03/386605203.db2.gz WWRLOWMWDPNDMZ-UHFFFAOYSA-N 1 2 236.319 0.571 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CCCNC1=O ZINC000328674960 386606666 /nfs/dbraw/zinc/60/66/66/386606666.db2.gz QJSDPJSEPVWCOR-VIFPVBQESA-N 1 2 222.292 0.971 20 0 BCADLO O=C1[C@@H]2CCCCN2C(=O)N1CCn1cc[nH+]c1 ZINC000328674257 386608051 /nfs/dbraw/zinc/60/80/51/386608051.db2.gz PWDOWBLNSIVHJV-JTQLQIEISA-N 1 2 248.286 0.700 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC2(C1)CCOC2 ZINC000328719453 386610702 /nfs/dbraw/zinc/61/07/02/386610702.db2.gz GICRLISGBOUOOI-UHFFFAOYSA-N 1 2 245.286 0.590 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000520233949 386611186 /nfs/dbraw/zinc/61/11/86/386611186.db2.gz LUNNPKAHYHCSCN-MNOVXSKESA-N 1 2 235.287 0.521 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337120857 386612434 /nfs/dbraw/zinc/61/24/34/386612434.db2.gz DWOYFYNGHCQUJM-SNVBAGLBSA-N 1 2 244.360 0.017 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337120857 386612442 /nfs/dbraw/zinc/61/24/42/386612442.db2.gz DWOYFYNGHCQUJM-SNVBAGLBSA-N 1 2 244.360 0.017 20 0 BCADLO CCOCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000278977063 386614072 /nfs/dbraw/zinc/61/40/72/386614072.db2.gz YDJDATNMMUUDEQ-UHFFFAOYSA-N 1 2 211.265 0.413 20 0 BCADLO C[C@H](CO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000278983243 386614926 /nfs/dbraw/zinc/61/49/26/386614926.db2.gz PPCRHANSHQDZQK-MWLCHTKSSA-N 1 2 232.287 0.865 20 0 BCADLO Cc1[nH]c(C(=O)NCC(C)(C)OCCO)c[nH+]1 ZINC000292063993 386617372 /nfs/dbraw/zinc/61/73/72/386617372.db2.gz KKMDVWQJHHROHO-UHFFFAOYSA-N 1 2 241.291 0.235 20 0 BCADLO CC(C)n1c[nH+]cc1CN(C)CC(N)=O ZINC000425330361 386661792 /nfs/dbraw/zinc/66/17/92/386661792.db2.gz VLRGWWIXOPGGRW-UHFFFAOYSA-N 1 2 210.281 0.381 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000268582344 386663950 /nfs/dbraw/zinc/66/39/50/386663950.db2.gz TXTKZEDLRUGZBU-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000268582344 386663957 /nfs/dbraw/zinc/66/39/57/386663957.db2.gz TXTKZEDLRUGZBU-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccn1 ZINC000279333368 386667164 /nfs/dbraw/zinc/66/71/64/386667164.db2.gz YITAXCIBWUQOCQ-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccn1 ZINC000279333368 386667171 /nfs/dbraw/zinc/66/71/71/386667171.db2.gz YITAXCIBWUQOCQ-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000188469349 386668415 /nfs/dbraw/zinc/66/84/15/386668415.db2.gz QIFCNOMPSSQFSI-MRVPVSSYSA-N 1 2 210.281 0.366 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC(=O)C(C)(C)C ZINC000279336404 386668828 /nfs/dbraw/zinc/66/88/28/386668828.db2.gz HWVRBUYEPSZEEL-UHFFFAOYSA-N 1 2 237.303 0.992 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC(=O)C(C)(C)C ZINC000279336404 386668835 /nfs/dbraw/zinc/66/88/35/386668835.db2.gz HWVRBUYEPSZEEL-UHFFFAOYSA-N 1 2 237.303 0.992 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000072953647 386682382 /nfs/dbraw/zinc/68/23/82/386682382.db2.gz SQLGWOJIKQUFSD-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000072953647 386682391 /nfs/dbraw/zinc/68/23/91/386682391.db2.gz SQLGWOJIKQUFSD-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2nc(COC)no2)C1 ZINC000425930485 386671394 /nfs/dbraw/zinc/67/13/94/386671394.db2.gz NVTAJYPTWFZSHJ-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2nc(COC)no2)C1 ZINC000425930485 386671400 /nfs/dbraw/zinc/67/14/00/386671400.db2.gz NVTAJYPTWFZSHJ-NSHDSACASA-N 1 2 241.291 0.563 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+](C)Cc1ccoc1 ZINC000330363987 386674761 /nfs/dbraw/zinc/67/47/61/386674761.db2.gz BIEQNUQKVLMZSG-UHFFFAOYSA-N 1 2 246.332 0.603 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1ccoc1 ZINC000330363987 386674764 /nfs/dbraw/zinc/67/47/64/386674764.db2.gz BIEQNUQKVLMZSG-UHFFFAOYSA-N 1 2 246.332 0.603 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000188476045 386676498 /nfs/dbraw/zinc/67/64/98/386676498.db2.gz JVXCMDKGPXFZSZ-MRVPVSSYSA-N 1 2 210.281 0.366 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000330364381 386678365 /nfs/dbraw/zinc/67/83/65/386678365.db2.gz LTASRIXDGUKQRV-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000330364381 386678373 /nfs/dbraw/zinc/67/83/73/386678373.db2.gz LTASRIXDGUKQRV-IUCAKERBSA-N 1 2 241.291 0.998 20 0 BCADLO CC(C)n1nnnc1CN(C)Cc1[nH+]ccn1C ZINC000330367152 386679113 /nfs/dbraw/zinc/67/91/13/386679113.db2.gz OFWZDVRSAZNHLP-UHFFFAOYSA-N 1 2 249.322 0.620 20 0 BCADLO C[N@H+](C[C@@](C)(O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000337187520 386657325 /nfs/dbraw/zinc/65/73/25/386657325.db2.gz QETZTEZSVYBABY-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@@](C)(O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000337187520 386657329 /nfs/dbraw/zinc/65/73/29/386657329.db2.gz QETZTEZSVYBABY-HTRCEHHLSA-N 1 2 240.225 0.120 20 0 BCADLO COc1ncncc1C[N@H+](C)CCNC(C)=O ZINC000648062765 386709988 /nfs/dbraw/zinc/70/99/88/386709988.db2.gz RKUBISANWLQCHX-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO COc1ncncc1C[N@@H+](C)CCNC(C)=O ZINC000648062765 386709995 /nfs/dbraw/zinc/70/99/95/386709995.db2.gz RKUBISANWLQCHX-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000121522239 386710341 /nfs/dbraw/zinc/71/03/41/386710341.db2.gz UEEIKIIAKNMRDN-LURJTMIESA-N 1 2 242.241 0.495 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000121522239 386710345 /nfs/dbraw/zinc/71/03/45/386710345.db2.gz UEEIKIIAKNMRDN-LURJTMIESA-N 1 2 242.241 0.495 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(O)CC1 ZINC000191919706 386711488 /nfs/dbraw/zinc/71/14/88/386711488.db2.gz DFSOEFKYAGTSFL-QMMMGPOBSA-N 1 2 237.307 0.526 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000268706320 386683776 /nfs/dbraw/zinc/68/37/76/386683776.db2.gz WJQPBTGDCPZSSQ-QMMMGPOBSA-N 1 2 238.291 0.131 20 0 BCADLO Cc1noc(CCC[N@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000268706320 386683780 /nfs/dbraw/zinc/68/37/80/386683780.db2.gz WJQPBTGDCPZSSQ-QMMMGPOBSA-N 1 2 238.291 0.131 20 0 BCADLO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)C(=O)OC ZINC000192857137 386689430 /nfs/dbraw/zinc/68/94/30/386689430.db2.gz RROHCFYIMVTZRR-QWRGUYRKSA-N 1 2 245.319 0.723 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)ncn1 ZINC000292608859 386697338 /nfs/dbraw/zinc/69/73/38/386697338.db2.gz WTODARLKNHMWCE-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)ncn1 ZINC000292608859 386697344 /nfs/dbraw/zinc/69/73/44/386697344.db2.gz WTODARLKNHMWCE-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ncn1 ZINC000292665497 386707982 /nfs/dbraw/zinc/70/79/82/386707982.db2.gz BHHFJDFOUXSUQC-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ncn1 ZINC000292665497 386707984 /nfs/dbraw/zinc/70/79/84/386707984.db2.gz BHHFJDFOUXSUQC-HWPZZCPQSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1c(C(=O)Nc2cc[nH+]cc2C)nnn1C ZINC000357175590 386731224 /nfs/dbraw/zinc/73/12/24/386731224.db2.gz SAUHAYSQEGQWGF-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000408441125 386732229 /nfs/dbraw/zinc/73/22/29/386732229.db2.gz GXSZUZPKWQHWIP-HLTSFMKQSA-N 1 2 212.249 0.081 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000408441125 386732235 /nfs/dbraw/zinc/73/22/35/386732235.db2.gz GXSZUZPKWQHWIP-HLTSFMKQSA-N 1 2 212.249 0.081 20 0 BCADLO COC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000330489691 386735936 /nfs/dbraw/zinc/73/59/36/386735936.db2.gz KZACKILAWDCMPG-JOYOIKCWSA-N 1 2 243.303 0.871 20 0 BCADLO COC(=O)CCNC(=O)CCc1c[nH+]cn1C ZINC000357204438 386738343 /nfs/dbraw/zinc/73/83/43/386738343.db2.gz JWRODJIFLHYSDJ-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO OCC[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000647962682 386738757 /nfs/dbraw/zinc/73/87/57/386738757.db2.gz MVUHSLCWODBYPB-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO OCC[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000647962682 386738762 /nfs/dbraw/zinc/73/87/62/386738762.db2.gz MVUHSLCWODBYPB-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO C[C@@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330453889 386717272 /nfs/dbraw/zinc/71/72/72/386717272.db2.gz LQNMEQXERJWAKP-SSDOTTSWSA-N 1 2 211.265 0.184 20 0 BCADLO CC[C@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329613967 386723842 /nfs/dbraw/zinc/72/38/42/386723842.db2.gz OZHRGTWXUNUWOK-HTQZYQBOSA-N 1 2 248.286 0.802 20 0 BCADLO CC[C@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329613967 386723847 /nfs/dbraw/zinc/72/38/47/386723847.db2.gz OZHRGTWXUNUWOK-HTQZYQBOSA-N 1 2 248.286 0.802 20 0 BCADLO COc1ncncc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000647998854 386725881 /nfs/dbraw/zinc/72/58/81/386725881.db2.gz MOEXAGJHNVYOST-SNVBAGLBSA-N 1 2 223.276 0.442 20 0 BCADLO CNC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000526994244 386725880 /nfs/dbraw/zinc/72/58/80/386725880.db2.gz HRFCHZVVEMQBRG-UHFFFAOYSA-N 1 2 215.272 0.446 20 0 BCADLO COc1ncncc1C[N@H+]1CCC[C@@H](O)C1 ZINC000647998854 386725884 /nfs/dbraw/zinc/72/58/84/386725884.db2.gz MOEXAGJHNVYOST-SNVBAGLBSA-N 1 2 223.276 0.442 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1cscn1 ZINC000647960837 386730090 /nfs/dbraw/zinc/73/00/90/386730090.db2.gz NCEUREZVBHZDNE-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1cscn1 ZINC000647960837 386730094 /nfs/dbraw/zinc/73/00/94/386730094.db2.gz NCEUREZVBHZDNE-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)Cc1cscn1 ZINC000647960837 386730099 /nfs/dbraw/zinc/73/00/99/386730099.db2.gz NCEUREZVBHZDNE-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)Cc1cscn1 ZINC000647960837 386730104 /nfs/dbraw/zinc/73/01/04/386730104.db2.gz NCEUREZVBHZDNE-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330479559 386730300 /nfs/dbraw/zinc/73/03/00/386730300.db2.gz QCLZJNYGTJKFKK-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330479559 386730309 /nfs/dbraw/zinc/73/03/09/386730309.db2.gz QCLZJNYGTJKFKK-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1C ZINC000329637000 386745509 /nfs/dbraw/zinc/74/55/09/386745509.db2.gz VJTDVZLLPFZOCZ-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1C ZINC000329637000 386745517 /nfs/dbraw/zinc/74/55/17/386745517.db2.gz VJTDVZLLPFZOCZ-LLVKDONJSA-N 1 2 246.318 0.767 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](CO)C2)on1 ZINC000647964612 386746585 /nfs/dbraw/zinc/74/65/85/386746585.db2.gz QQNLPMAPVBXQQU-SECBINFHSA-N 1 2 224.260 0.691 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](CO)C2)on1 ZINC000647964612 386746589 /nfs/dbraw/zinc/74/65/89/386746589.db2.gz QQNLPMAPVBXQQU-SECBINFHSA-N 1 2 224.260 0.691 20 0 BCADLO CN(C)c1noc(CCn2cc[nH+]c2)n1 ZINC000269274488 386770225 /nfs/dbraw/zinc/77/02/25/386770225.db2.gz HQQAXZZUHIGXDW-UHFFFAOYSA-N 1 2 207.237 0.575 20 0 BCADLO O=C(C[C@@H]1CCCC(=O)N1)Nc1cc[nH+]cc1O ZINC000348531929 386752407 /nfs/dbraw/zinc/75/24/07/386752407.db2.gz NXBXSUWQANMBPY-QMMMGPOBSA-N 1 2 249.270 0.206 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nn1C ZINC000330503652 386761893 /nfs/dbraw/zinc/76/18/93/386761893.db2.gz FUPBOBXVCLICPH-SECBINFHSA-N 1 2 247.302 0.744 20 0 BCADLO CO[C@@H]1C[C@H](CO)[N@H+](Cc2nccc(C)n2)C1 ZINC000344852589 386764919 /nfs/dbraw/zinc/76/49/19/386764919.db2.gz YGAFMKLIEZUJMS-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@@H]1C[C@H](CO)[N@@H+](Cc2nccc(C)n2)C1 ZINC000344852589 386764925 /nfs/dbraw/zinc/76/49/25/386764925.db2.gz YGAFMKLIEZUJMS-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000426484959 386766342 /nfs/dbraw/zinc/76/63/42/386766342.db2.gz HJBPLGGNPAISSN-NSHDSACASA-N 1 2 225.292 0.443 20 0 BCADLO Cn1ccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000357230638 386742730 /nfs/dbraw/zinc/74/27/30/386742730.db2.gz MBGVHBVHLNMPDO-UHFFFAOYSA-N 1 2 218.260 0.721 20 0 BCADLO FC(F)(F)Cn1nnnc1Cn1cc[nH+]c1 ZINC000192138874 386744033 /nfs/dbraw/zinc/74/40/33/386744033.db2.gz AWNMFQOXXUGOJI-UHFFFAOYSA-N 1 2 232.169 0.480 20 0 BCADLO CCn1nccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000639396989 386793020 /nfs/dbraw/zinc/79/30/20/386793020.db2.gz GUZNJOGRTUPLHN-NSHDSACASA-N 1 2 241.360 0.813 20 0 BCADLO CCn1nccc1C[N@H+]1CCSC[C@@H]1CO ZINC000639396989 386793024 /nfs/dbraw/zinc/79/30/24/386793024.db2.gz GUZNJOGRTUPLHN-NSHDSACASA-N 1 2 241.360 0.813 20 0 BCADLO CN(CCCCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000357502361 386793621 /nfs/dbraw/zinc/79/36/21/386793621.db2.gz RMAYBOHNCGSONV-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO CCC[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000330522392 386771245 /nfs/dbraw/zinc/77/12/45/386771245.db2.gz IFXPROSSIGHGPJ-SECBINFHSA-N 1 2 236.275 0.808 20 0 BCADLO O=C1NCC[C@@H]1N1CC[NH+](Cc2ccco2)CC1 ZINC000269296354 386773984 /nfs/dbraw/zinc/77/39/84/386773984.db2.gz XBNFWWXVKKVJLU-LBPRGKRZSA-N 1 2 249.314 0.286 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000336448119 386774478 /nfs/dbraw/zinc/77/44/78/386774478.db2.gz MQGNJPRMLPMLGC-SECBINFHSA-N 1 2 230.289 0.142 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000336448119 386774484 /nfs/dbraw/zinc/77/44/84/386774484.db2.gz MQGNJPRMLPMLGC-SECBINFHSA-N 1 2 230.289 0.142 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000639273692 386776424 /nfs/dbraw/zinc/77/64/24/386776424.db2.gz NEUCHBCHSHLMHY-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000639273692 386776425 /nfs/dbraw/zinc/77/64/25/386776425.db2.gz NEUCHBCHSHLMHY-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1[nH+]ccn1C ZINC000269300789 386776879 /nfs/dbraw/zinc/77/68/79/386776879.db2.gz JLQURCMWLTUFJW-NSHDSACASA-N 1 2 225.292 0.587 20 0 BCADLO CO[C@H](C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000280089186 386777034 /nfs/dbraw/zinc/77/70/34/386777034.db2.gz WMKXPEJJFJGYSB-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357425015 386779417 /nfs/dbraw/zinc/77/94/17/386779417.db2.gz NWEVMKJQUNFBFB-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357425015 386779423 /nfs/dbraw/zinc/77/94/23/386779423.db2.gz NWEVMKJQUNFBFB-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO COC(=O)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492902046 533193075 /nfs/dbraw/zinc/19/30/75/533193075.db2.gz QGIDFFOVYIGQSC-IHWYPQMZSA-N 1 2 249.270 0.492 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330541480 386782878 /nfs/dbraw/zinc/78/28/78/386782878.db2.gz ZZAFBORWOXNQLE-SECBINFHSA-N 1 2 242.323 0.059 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330541480 386782885 /nfs/dbraw/zinc/78/28/85/386782885.db2.gz ZZAFBORWOXNQLE-SECBINFHSA-N 1 2 242.323 0.059 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000340821018 386782827 /nfs/dbraw/zinc/78/28/27/386782827.db2.gz RDMALLXXNJBGSU-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000340821018 386782835 /nfs/dbraw/zinc/78/28/35/386782835.db2.gz RDMALLXXNJBGSU-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330606456 386783649 /nfs/dbraw/zinc/78/36/49/386783649.db2.gz NUFPSRWTJLQLGR-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO CCCCNC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330542968 386785058 /nfs/dbraw/zinc/78/50/58/386785058.db2.gz AZHBDSKSTDRKEN-UWVGGRQHSA-N 1 2 232.299 0.307 20 0 BCADLO CCCCNC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330542968 386785061 /nfs/dbraw/zinc/78/50/61/386785061.db2.gz AZHBDSKSTDRKEN-UWVGGRQHSA-N 1 2 232.299 0.307 20 0 BCADLO Cc1nnc(C[NH2+][C@H](CO)c2ccccc2)[nH]1 ZINC000293178497 386785635 /nfs/dbraw/zinc/78/56/35/386785635.db2.gz NSAMAFNRJWBQHH-LLVKDONJSA-N 1 2 232.287 0.936 20 0 BCADLO CCn1c[nH+]cc1CN1CCN(C)C(=O)[C@@H]1C ZINC000418000164 386817878 /nfs/dbraw/zinc/81/78/78/386817878.db2.gz VIZVVPIKYWJNAW-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCn2ncnc2C1 ZINC000329977462 386819746 /nfs/dbraw/zinc/81/97/46/386819746.db2.gz ZRPOTUJIXFYOLE-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCn2ncnc2C1 ZINC000329977462 386819753 /nfs/dbraw/zinc/81/97/53/386819753.db2.gz ZRPOTUJIXFYOLE-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1c(C[N@@H+]2C[C@H](F)C[C@H]2CO)cnn1C ZINC000334771110 386822220 /nfs/dbraw/zinc/82/22/20/386822220.db2.gz QUEVTPUDVQOUAC-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2C[C@H](F)C[C@H]2CO)cnn1C ZINC000334771110 386822226 /nfs/dbraw/zinc/82/22/26/386822226.db2.gz QUEVTPUDVQOUAC-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO C=CC(=O)NCCC(=O)Nc1c[nH+]ccc1OC ZINC000269466254 386797448 /nfs/dbraw/zinc/79/74/48/386797448.db2.gz SZIKJIQJNISROU-UHFFFAOYSA-N 1 2 249.270 0.721 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2c[nH]cn2)C[C@@H]1OC ZINC000280272650 386797610 /nfs/dbraw/zinc/79/76/10/386797610.db2.gz RCZLKPQMLWGRBS-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2c[nH]cn2)C[C@@H]1OC ZINC000280272650 386797616 /nfs/dbraw/zinc/79/76/16/386797616.db2.gz RCZLKPQMLWGRBS-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnc[nH]2)C[C@@H]1OC ZINC000280272650 386797620 /nfs/dbraw/zinc/79/76/20/386797620.db2.gz RCZLKPQMLWGRBS-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnc[nH]2)C[C@@H]1OC ZINC000280272650 386797624 /nfs/dbraw/zinc/79/76/24/386797624.db2.gz RCZLKPQMLWGRBS-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO COC(=O)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330581871 386799499 /nfs/dbraw/zinc/79/94/99/386799499.db2.gz QSUMZHHZQZBSON-RQJHMYQMSA-N 1 2 218.228 0.497 20 0 BCADLO COC(=O)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330581871 386799505 /nfs/dbraw/zinc/79/95/05/386799505.db2.gz QSUMZHHZQZBSON-RQJHMYQMSA-N 1 2 218.228 0.497 20 0 BCADLO C[C@]1(NC(=O)CCn2cc[nH+]c2)CCCOC1 ZINC000330627576 386824138 /nfs/dbraw/zinc/82/41/38/386824138.db2.gz KKALNIICJPPRLZ-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO CCN(CC)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939143 386803615 /nfs/dbraw/zinc/80/36/15/386803615.db2.gz CLALQYPPLWXMGC-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000249205997 386824316 /nfs/dbraw/zinc/82/43/16/386824316.db2.gz RVPNPFPOUGQDIE-ONGXEEELSA-N 1 2 225.292 0.645 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344860935 386804852 /nfs/dbraw/zinc/80/48/52/386804852.db2.gz XBRDPROTVIYUDV-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344860935 386804856 /nfs/dbraw/zinc/80/48/56/386804856.db2.gz XBRDPROTVIYUDV-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(CO)CC1 ZINC000340905520 386807608 /nfs/dbraw/zinc/80/76/08/386807608.db2.gz YWTAABVQPPRNDI-UHFFFAOYSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(CO)CC1 ZINC000340905520 386807618 /nfs/dbraw/zinc/80/76/18/386807618.db2.gz YWTAABVQPPRNDI-UHFFFAOYSA-N 1 2 240.307 0.493 20 0 BCADLO O=C(CCCn1cccn1)NCc1[nH]cc[nH+]1 ZINC000357559183 386807886 /nfs/dbraw/zinc/80/78/86/386807886.db2.gz PCBDIGKCXJLUNV-UHFFFAOYSA-N 1 2 233.275 0.703 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCC=CO1 ZINC000248993793 386808901 /nfs/dbraw/zinc/80/89/01/386808901.db2.gz OGVWPUGGERIHLL-MXWKQRLJSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCC=CO1 ZINC000248993793 386808910 /nfs/dbraw/zinc/80/89/10/386808910.db2.gz OGVWPUGGERIHLL-MXWKQRLJSA-N 1 2 241.287 0.287 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCOC1 ZINC000340915636 386811434 /nfs/dbraw/zinc/81/14/34/386811434.db2.gz JNRMDUXPQJZPCZ-MRVPVSSYSA-N 1 2 226.280 0.369 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCOC1 ZINC000340915636 386811441 /nfs/dbraw/zinc/81/14/41/386811441.db2.gz JNRMDUXPQJZPCZ-MRVPVSSYSA-N 1 2 226.280 0.369 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCO[C@H]1C ZINC000330634829 386827403 /nfs/dbraw/zinc/82/74/03/386827403.db2.gz LVUCATPAYPTDCU-VWYCJHECSA-N 1 2 237.303 0.813 20 0 BCADLO COC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330637201 386827924 /nfs/dbraw/zinc/82/79/24/386827924.db2.gz FSIXQFVHVYHOHA-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330637201 386827932 /nfs/dbraw/zinc/82/79/32/386827932.db2.gz FSIXQFVHVYHOHA-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](O)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000645540067 386829807 /nfs/dbraw/zinc/82/98/07/386829807.db2.gz RVLBNFPRPTYWGZ-JTQLQIEISA-N 1 2 240.307 0.033 20 0 BCADLO CC(C)N(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334781121 386835162 /nfs/dbraw/zinc/83/51/62/386835162.db2.gz CTZRYFRCRAAIJF-MNOVXSKESA-N 1 2 241.335 0.461 20 0 BCADLO CC(C)N(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334781121 386835169 /nfs/dbraw/zinc/83/51/69/386835169.db2.gz CTZRYFRCRAAIJF-MNOVXSKESA-N 1 2 241.335 0.461 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000328810816 386844904 /nfs/dbraw/zinc/84/49/04/386844904.db2.gz FGEDETBTOYOLBB-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000328810816 386844909 /nfs/dbraw/zinc/84/49/09/386844909.db2.gz FGEDETBTOYOLBB-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)C[C@@H](O)C(F)(F)F ZINC000341144180 386845018 /nfs/dbraw/zinc/84/50/18/386845018.db2.gz MLAFLLUGKMWSKZ-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)C[C@@H](O)C(F)(F)F ZINC000341144180 386845024 /nfs/dbraw/zinc/84/50/24/386845024.db2.gz MLAFLLUGKMWSKZ-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000341157935 386847558 /nfs/dbraw/zinc/84/75/58/386847558.db2.gz JLSZRVXZIIUEAH-ZETCQYMHSA-N 1 2 242.241 0.320 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000341157935 386847562 /nfs/dbraw/zinc/84/75/62/386847562.db2.gz JLSZRVXZIIUEAH-ZETCQYMHSA-N 1 2 242.241 0.320 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC1(O)CCC1 ZINC000331419615 386850406 /nfs/dbraw/zinc/85/04/06/386850406.db2.gz WTRCLSDGPPDKLZ-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO CN(C)[C@@H](C(=O)NCC(F)F)c1c[nH+]cn1C ZINC000330674671 386852862 /nfs/dbraw/zinc/85/28/62/386852862.db2.gz QRGSGPYYFPXWMH-SECBINFHSA-N 1 2 246.261 0.404 20 0 BCADLO CC(C)c1nc(N(C)C)nc(N[C@H](C)CO)[nH+]1 ZINC000301922502 386891302 /nfs/dbraw/zinc/89/13/02/386891302.db2.gz LGEQRUZVCFWKDH-MRVPVSSYSA-N 1 2 239.323 0.854 20 0 BCADLO CC(C)c1nc(N[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000301922502 386891304 /nfs/dbraw/zinc/89/13/04/386891304.db2.gz LGEQRUZVCFWKDH-MRVPVSSYSA-N 1 2 239.323 0.854 20 0 BCADLO COC[C@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000357903745 386862022 /nfs/dbraw/zinc/86/20/22/386862022.db2.gz MQIZLZBKBUJDGJ-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000335744347 386863600 /nfs/dbraw/zinc/86/36/00/386863600.db2.gz PDFODKQVEGBGHJ-BDAKNGLRSA-N 1 2 215.297 0.025 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334828635 386864302 /nfs/dbraw/zinc/86/43/02/386864302.db2.gz JKDLYCKDDUHMKD-LLVKDONJSA-N 1 2 227.283 0.899 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334828635 386864306 /nfs/dbraw/zinc/86/43/06/386864306.db2.gz JKDLYCKDDUHMKD-LLVKDONJSA-N 1 2 227.283 0.899 20 0 BCADLO CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330716843 386865349 /nfs/dbraw/zinc/86/53/49/386865349.db2.gz CYPSTJFNIBFLHW-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO CC(C)n1c[nH+]cc1CN(C)[C@@H]1CCNC1=O ZINC000425342587 386875775 /nfs/dbraw/zinc/87/57/75/386875775.db2.gz ZLPOLQOIFQLBLJ-LLVKDONJSA-N 1 2 236.319 0.784 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NCC2CC2)n1C ZINC000341281445 386877700 /nfs/dbraw/zinc/87/77/00/386877700.db2.gz KWMMETROHKMYJG-UHFFFAOYSA-N 1 2 236.319 0.344 20 0 BCADLO Cc1c[nH+]c(CNCC(=O)NCC2CC2)n1C ZINC000341281445 386877704 /nfs/dbraw/zinc/87/77/04/386877704.db2.gz KWMMETROHKMYJG-UHFFFAOYSA-N 1 2 236.319 0.344 20 0 BCADLO Nc1nc(N2CC[C@H](O)C2)[nH+]c2ccccc12 ZINC000301780335 386878000 /nfs/dbraw/zinc/87/80/00/386878000.db2.gz MUWCMWJQIXEYKG-QMMMGPOBSA-N 1 2 230.271 0.783 20 0 BCADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330762258 386879025 /nfs/dbraw/zinc/87/90/25/386879025.db2.gz OLLSSFGZJAXJNE-QMMMGPOBSA-N 1 2 237.307 0.898 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330762258 386879033 /nfs/dbraw/zinc/87/90/33/386879033.db2.gz OLLSSFGZJAXJNE-QMMMGPOBSA-N 1 2 237.307 0.898 20 0 BCADLO COC[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000293794538 386880302 /nfs/dbraw/zinc/88/03/02/386880302.db2.gz CJOOULBTBHTNDZ-PBKGFPTLSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331675687 386881734 /nfs/dbraw/zinc/88/17/34/386881734.db2.gz SROXZUNWIRNDSO-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331675687 386881740 /nfs/dbraw/zinc/88/17/40/386881740.db2.gz SROXZUNWIRNDSO-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO COC(=O)[C@]1([NH2+]CC[C@@H](C)F)CCOC1 ZINC000336744883 386883974 /nfs/dbraw/zinc/88/39/74/386883974.db2.gz AAJSPOOKNMHOSS-SCZZXKLOSA-N 1 2 219.256 0.656 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NOCC1CC1 ZINC000293833779 386887407 /nfs/dbraw/zinc/88/74/07/386887407.db2.gz SSYOVHKUABOJHL-UHFFFAOYSA-N 1 2 209.249 0.800 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331740797 386889203 /nfs/dbraw/zinc/88/92/03/386889203.db2.gz ANSVUSCXCLRMFE-RNFRBKRXSA-N 1 2 226.280 0.413 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497077093 533199491 /nfs/dbraw/zinc/19/94/91/533199491.db2.gz NFUUAMZCEXJOKU-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497077093 533199494 /nfs/dbraw/zinc/19/94/94/533199494.db2.gz NFUUAMZCEXJOKU-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO O=C(CC1CCOCC1)NCCn1cc[nH+]c1 ZINC000330852350 386914161 /nfs/dbraw/zinc/91/41/61/386914161.db2.gz QSBTYLFWSJBWOJ-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO COCc1noc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000367861844 386914660 /nfs/dbraw/zinc/91/46/60/386914660.db2.gz TUEMJQAHPKAZCM-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000367861844 386914665 /nfs/dbraw/zinc/91/46/65/386914665.db2.gz TUEMJQAHPKAZCM-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COC(=O)C1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000331822791 386914853 /nfs/dbraw/zinc/91/48/53/386914853.db2.gz CRQWBRBMECXDCI-UHFFFAOYSA-N 1 2 237.259 0.288 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccnn1C ZINC000331833448 386915475 /nfs/dbraw/zinc/91/54/75/386915475.db2.gz KTIMJIUJMXKPLT-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccnn1C ZINC000331833448 386915479 /nfs/dbraw/zinc/91/54/79/386915479.db2.gz KTIMJIUJMXKPLT-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000367900214 386917257 /nfs/dbraw/zinc/91/72/57/386917257.db2.gz VMKNQPMJINBULT-PSASIEDQSA-N 1 2 205.261 0.881 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cnn(C)c1 ZINC000331844177 386917587 /nfs/dbraw/zinc/91/75/87/386917587.db2.gz MUNQSAXPFQWUNO-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000331844177 386917591 /nfs/dbraw/zinc/91/75/91/386917591.db2.gz MUNQSAXPFQWUNO-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C1CC(O)C1 ZINC000331760423 386895826 /nfs/dbraw/zinc/89/58/26/386895826.db2.gz IUSXXWOJOPPIMI-UHFFFAOYSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C1CC(O)C1 ZINC000331760423 386895831 /nfs/dbraw/zinc/89/58/31/386895831.db2.gz IUSXXWOJOPPIMI-UHFFFAOYSA-N 1 2 224.308 0.643 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000331871354 386919519 /nfs/dbraw/zinc/91/95/19/386919519.db2.gz SSEMTJVPPUCISM-VIFPVBQESA-N 1 2 232.291 0.886 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000331871354 386919524 /nfs/dbraw/zinc/91/95/24/386919524.db2.gz SSEMTJVPPUCISM-VIFPVBQESA-N 1 2 232.291 0.886 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000331767955 386898271 /nfs/dbraw/zinc/89/82/71/386898271.db2.gz KXHZBVCHFRICPQ-DTORHVGOSA-N 1 2 210.281 0.722 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000331767955 386898275 /nfs/dbraw/zinc/89/82/75/386898275.db2.gz KXHZBVCHFRICPQ-DTORHVGOSA-N 1 2 210.281 0.722 20 0 BCADLO CCN(C[C@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC000341390369 386900200 /nfs/dbraw/zinc/90/02/00/386900200.db2.gz FVWYSYXBOXCKKS-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330835088 386900496 /nfs/dbraw/zinc/90/04/96/386900496.db2.gz KHWOZBYPYSWFLT-SNVBAGLBSA-N 1 2 246.376 0.312 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330835088 386900501 /nfs/dbraw/zinc/90/05/01/386900501.db2.gz KHWOZBYPYSWFLT-SNVBAGLBSA-N 1 2 246.376 0.312 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc(C)on1 ZINC000330836523 386900670 /nfs/dbraw/zinc/90/06/70/386900670.db2.gz IHGITSSKVRGHEX-NSHDSACASA-N 1 2 226.276 0.755 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc(C)on1 ZINC000330836523 386900675 /nfs/dbraw/zinc/90/06/75/386900675.db2.gz IHGITSSKVRGHEX-NSHDSACASA-N 1 2 226.276 0.755 20 0 BCADLO CCCCNC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330782401 386900712 /nfs/dbraw/zinc/90/07/12/386900712.db2.gz PMYIAHTXKQQAGY-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO COC(=O)C[C@]1([NH2+]Cc2ccon2)CCOC1 ZINC000330833787 386901987 /nfs/dbraw/zinc/90/19/87/386901987.db2.gz HQLQYDPRNFOBBB-LLVKDONJSA-N 1 2 240.259 0.486 20 0 BCADLO c1cc(C[NH2+]Cc2nnnn2CC2CC2)c[nH]1 ZINC000349652706 386903430 /nfs/dbraw/zinc/90/34/30/386903430.db2.gz FVJXHZXPEZSEDS-UHFFFAOYSA-N 1 2 232.291 0.701 20 0 BCADLO COCc1n[nH]c([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000330866353 386906601 /nfs/dbraw/zinc/90/66/01/386906601.db2.gz XPCAVHYQNHVLSD-SECBINFHSA-N 1 2 240.307 0.470 20 0 BCADLO COCc1n[nH]c([C@H]2CCCC[N@H+]2CCO)n1 ZINC000330866353 386906608 /nfs/dbraw/zinc/90/66/08/386906608.db2.gz XPCAVHYQNHVLSD-SECBINFHSA-N 1 2 240.307 0.470 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358171405 386907270 /nfs/dbraw/zinc/90/72/70/386907270.db2.gz SPGSLXUQFJBZHU-IUCAKERBSA-N 1 2 237.303 0.808 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358171405 386907273 /nfs/dbraw/zinc/90/72/73/386907273.db2.gz SPGSLXUQFJBZHU-IUCAKERBSA-N 1 2 237.303 0.808 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)CCn1cc[nH+]c1 ZINC000341409255 386908832 /nfs/dbraw/zinc/90/88/32/386908832.db2.gz TXVRZUZFLVUOJY-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332034389 386946263 /nfs/dbraw/zinc/94/62/63/386946263.db2.gz KHCOISHQUMMHMX-UHFFFAOYSA-N 1 2 213.281 0.464 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332034389 386946266 /nfs/dbraw/zinc/94/62/66/386946266.db2.gz KHCOISHQUMMHMX-UHFFFAOYSA-N 1 2 213.281 0.464 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC000331041194 386947121 /nfs/dbraw/zinc/94/71/21/386947121.db2.gz DFPFVCMQXARBGN-SNVBAGLBSA-N 1 2 239.319 0.582 20 0 BCADLO CC[C@]1(C)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000335773248 386921300 /nfs/dbraw/zinc/92/13/00/386921300.db2.gz QZHAHSRYAPBYAY-GFCCVEGCSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@]1(C)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000335773248 386921303 /nfs/dbraw/zinc/92/13/03/386921303.db2.gz QZHAHSRYAPBYAY-GFCCVEGCSA-N 1 2 226.320 0.720 20 0 BCADLO COC[C@H]([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000336762200 386921677 /nfs/dbraw/zinc/92/16/77/386921677.db2.gz LFDUUWYYJCRWCM-UWVGGRQHSA-N 1 2 231.292 0.191 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000330896066 386922978 /nfs/dbraw/zinc/92/29/78/386922978.db2.gz LEPGVYUOZUCJSY-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000330896066 386922981 /nfs/dbraw/zinc/92/29/81/386922981.db2.gz LEPGVYUOZUCJSY-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO Cc1nc(C[N@@H+](C[C@@H](C)O)C(C)C)no1 ZINC000303983280 386924998 /nfs/dbraw/zinc/92/49/98/386924998.db2.gz GZWLRIYAIYCJDK-MRVPVSSYSA-N 1 2 213.281 0.969 20 0 BCADLO Cc1nc(C[N@H+](C[C@@H](C)O)C(C)C)no1 ZINC000303983280 386925002 /nfs/dbraw/zinc/92/50/02/386925002.db2.gz GZWLRIYAIYCJDK-MRVPVSSYSA-N 1 2 213.281 0.969 20 0 BCADLO C[C@@](O)(C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000341589478 386927107 /nfs/dbraw/zinc/92/71/07/386927107.db2.gz CEIQGIJXXMBXBD-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO CN(C)[C@H](C(=O)NC1CC1)c1c[nH+]cn1C ZINC000331938552 386928566 /nfs/dbraw/zinc/92/85/66/386928566.db2.gz RMYGYTMXGDBRPX-JTQLQIEISA-N 1 2 222.292 0.301 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330963090 386929754 /nfs/dbraw/zinc/92/97/54/386929754.db2.gz KFCYIZYROZGPCG-BDAKNGLRSA-N 1 2 237.303 0.574 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330963090 386929759 /nfs/dbraw/zinc/92/97/59/386929759.db2.gz KFCYIZYROZGPCG-BDAKNGLRSA-N 1 2 237.303 0.574 20 0 BCADLO C[C@H](CO)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330966027 386929868 /nfs/dbraw/zinc/92/98/68/386929868.db2.gz LAWMKXPBYNCJKR-QMMMGPOBSA-N 1 2 225.292 0.432 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1nnc[nH]1 ZINC000330970622 386931720 /nfs/dbraw/zinc/93/17/20/386931720.db2.gz RURANRCTORZYLU-SECBINFHSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1nnc[nH]1 ZINC000330970622 386931726 /nfs/dbraw/zinc/93/17/26/386931726.db2.gz RURANRCTORZYLU-SECBINFHSA-N 1 2 210.281 0.806 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330926507 386933535 /nfs/dbraw/zinc/93/35/35/386933535.db2.gz VVRHNNKRWVISKN-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCc1[nH+]ccn1C ZINC000331020474 386935711 /nfs/dbraw/zinc/93/57/11/386935711.db2.gz OPBGOCBCHIUDKK-LLVKDONJSA-N 1 2 225.292 0.443 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000331022243 386935897 /nfs/dbraw/zinc/93/58/97/386935897.db2.gz QJJJWNICHBLOLH-GFCCVEGCSA-N 1 2 239.319 0.786 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331990941 386937226 /nfs/dbraw/zinc/93/72/26/386937226.db2.gz YWRBBVODFQCZIA-BDAKNGLRSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331990941 386937232 /nfs/dbraw/zinc/93/72/32/386937232.db2.gz YWRBBVODFQCZIA-BDAKNGLRSA-N 1 2 209.249 0.451 20 0 BCADLO COC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000331986522 386937743 /nfs/dbraw/zinc/93/77/43/386937743.db2.gz NZMRYDPCWRQMHW-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC(C)(C)O ZINC000330977342 386938922 /nfs/dbraw/zinc/93/89/22/386938922.db2.gz FOIHMKQYGGGQMN-UHFFFAOYSA-N 1 2 211.265 0.197 20 0 BCADLO CCCC(=O)NCC(=O)Nc1cc[nH+]cc1O ZINC000358364141 386940994 /nfs/dbraw/zinc/94/09/94/386940994.db2.gz YLWSEMHLMYTPIF-UHFFFAOYSA-N 1 2 237.259 0.064 20 0 BCADLO Cn1ncc2c1nc(N[C@@H]1CCOC1)[nH+]c2N ZINC000302874534 386941540 /nfs/dbraw/zinc/94/15/40/386941540.db2.gz DXCZJHKVTBENCY-ZCFIWIBFSA-N 1 2 234.263 0.146 20 0 BCADLO Cn1ncc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000368132834 386944482 /nfs/dbraw/zinc/94/44/82/386944482.db2.gz RVAFLRZNALNYST-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO COC(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331008055 386945140 /nfs/dbraw/zinc/94/51/40/386945140.db2.gz UDQLMZNYNKVWDA-UHFFFAOYSA-N 1 2 243.307 0.091 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471448 386952414 /nfs/dbraw/zinc/95/24/14/386952414.db2.gz RAZZREHKELQJCO-IEBDPFPHSA-N 1 2 239.319 0.909 20 0 BCADLO CCC[N@@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000334824957 386955946 /nfs/dbraw/zinc/95/59/46/386955946.db2.gz JOHADMZZRUZSTE-ONGXEEELSA-N 1 2 212.293 0.723 20 0 BCADLO CCC[N@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000334824957 386955947 /nfs/dbraw/zinc/95/59/47/386955947.db2.gz JOHADMZZRUZSTE-ONGXEEELSA-N 1 2 212.293 0.723 20 0 BCADLO COCCN1C(=O)C2(CC2)[NH2+]C12CCCC2 ZINC000334824899 386956353 /nfs/dbraw/zinc/95/63/53/386956353.db2.gz HQJIDLBHWZDIQT-UHFFFAOYSA-N 1 2 224.304 0.868 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000334885929 386958138 /nfs/dbraw/zinc/95/81/38/386958138.db2.gz ATAJWDGVBNELFW-LLVKDONJSA-N 1 2 236.319 0.354 20 0 BCADLO Cc1cnn(CC[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000334885929 386958140 /nfs/dbraw/zinc/95/81/40/386958140.db2.gz ATAJWDGVBNELFW-LLVKDONJSA-N 1 2 236.319 0.354 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC(C)(C)C1)[C@H](C)O ZINC000336763371 386958298 /nfs/dbraw/zinc/95/82/98/386958298.db2.gz OUBFDKYUMYVZKV-CBAPKCEASA-N 1 2 215.293 0.687 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000332116423 386960628 /nfs/dbraw/zinc/96/06/28/386960628.db2.gz GHTCZZNZSWWWAY-BXKDBHETSA-N 1 2 244.310 0.450 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000332116423 386960640 /nfs/dbraw/zinc/96/06/40/386960640.db2.gz GHTCZZNZSWWWAY-BXKDBHETSA-N 1 2 244.310 0.450 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCCO1 ZINC000332341587 386970282 /nfs/dbraw/zinc/97/02/82/386970282.db2.gz SOAPUKTZFCECBD-SECBINFHSA-N 1 2 223.276 0.638 20 0 BCADLO C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000331139478 386970835 /nfs/dbraw/zinc/97/08/35/386970835.db2.gz GJHBSVRTFMXYJF-MRVPVSSYSA-N 1 2 225.292 0.527 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(F)(F)CN2)cc[nH+]1 ZINC000334899509 386972244 /nfs/dbraw/zinc/97/22/44/386972244.db2.gz BEDQJQLZTWOEPT-SECBINFHSA-N 1 2 241.241 0.748 20 0 BCADLO Cc1c[nH]cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1=O ZINC000358527542 386974575 /nfs/dbraw/zinc/97/45/75/386974575.db2.gz KATQSLGHIZDHEA-UHFFFAOYSA-N 1 2 246.270 0.679 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352989545 386984374 /nfs/dbraw/zinc/98/43/74/386984374.db2.gz SDYFNHRHBMLBFT-KXUCPTDWSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352989545 386984380 /nfs/dbraw/zinc/98/43/80/386984380.db2.gz SDYFNHRHBMLBFT-KXUCPTDWSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(CC(=O)OC)CC1 ZINC000331189829 386985122 /nfs/dbraw/zinc/98/51/22/386985122.db2.gz PCICDTFREHETHD-VIFPVBQESA-N 1 2 243.307 0.091 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000334912432 386986476 /nfs/dbraw/zinc/98/64/76/386986476.db2.gz ILSBAFJMJZOVTL-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000334912432 386986481 /nfs/dbraw/zinc/98/64/81/386986481.db2.gz ILSBAFJMJZOVTL-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000332618230 386993415 /nfs/dbraw/zinc/99/34/15/386993415.db2.gz FRNARKGXAFLYIK-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000332618230 386993425 /nfs/dbraw/zinc/99/34/25/386993425.db2.gz FRNARKGXAFLYIK-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332630459 386995250 /nfs/dbraw/zinc/99/52/50/386995250.db2.gz IAFQSSMSILXFPI-SECBINFHSA-N 1 2 225.252 0.258 20 0 BCADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332630459 386995252 /nfs/dbraw/zinc/99/52/52/386995252.db2.gz IAFQSSMSILXFPI-SECBINFHSA-N 1 2 225.252 0.258 20 0 BCADLO Cc1nc(NCC[C@H]2CCCO2)nc(N)[nH+]1 ZINC000304480117 386996670 /nfs/dbraw/zinc/99/66/70/386996670.db2.gz OIQDOCJWUJHECE-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(NCC[C@H]2CCCO2)[nH+]1 ZINC000304480117 386996679 /nfs/dbraw/zinc/99/66/79/386996679.db2.gz OIQDOCJWUJHECE-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cn1 ZINC000332647405 386999642 /nfs/dbraw/zinc/99/96/42/386999642.db2.gz BYNGDTUCBCZPJB-JTQLQIEISA-N 1 2 243.332 0.039 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cn1 ZINC000332647405 386999644 /nfs/dbraw/zinc/99/96/44/386999644.db2.gz BYNGDTUCBCZPJB-JTQLQIEISA-N 1 2 243.332 0.039 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000341942835 387000032 /nfs/dbraw/zinc/00/00/32/387000032.db2.gz DUAPPMIRMXWTBK-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000341942835 387000036 /nfs/dbraw/zinc/00/00/36/387000036.db2.gz DUAPPMIRMXWTBK-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO Nc1cccc(C[NH+]2CCS(=O)CC2)c1 ZINC000049691275 387001196 /nfs/dbraw/zinc/00/11/96/387001196.db2.gz OLWGVIJJBJKHRS-UHFFFAOYSA-N 1 2 224.329 0.833 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926754 387001587 /nfs/dbraw/zinc/00/15/87/387001587.db2.gz WWLBHKUAPRQOOV-NEPJUHHUSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926754 387001588 /nfs/dbraw/zinc/00/15/88/387001588.db2.gz WWLBHKUAPRQOOV-NEPJUHHUSA-N 1 2 238.331 0.861 20 0 BCADLO Cn1cnc2c1CC[N@H+](C[C@H]1CCCO1)C2 ZINC000368689660 387001594 /nfs/dbraw/zinc/00/15/94/387001594.db2.gz PXCMWTVPJNDPAA-SNVBAGLBSA-N 1 2 221.304 0.957 20 0 BCADLO Cn1cnc2c1CC[N@@H+](C[C@H]1CCCO1)C2 ZINC000368689660 387001598 /nfs/dbraw/zinc/00/15/98/387001598.db2.gz PXCMWTVPJNDPAA-SNVBAGLBSA-N 1 2 221.304 0.957 20 0 BCADLO Cn1c[nH+]c2c1CCN(C[C@H]1CCCO1)C2 ZINC000368689660 387001600 /nfs/dbraw/zinc/00/16/00/387001600.db2.gz PXCMWTVPJNDPAA-SNVBAGLBSA-N 1 2 221.304 0.957 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331318569 387001725 /nfs/dbraw/zinc/00/17/25/387001725.db2.gz ZLXNWDSMKAYJNN-IUCAKERBSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331318569 387001729 /nfs/dbraw/zinc/00/17/29/387001729.db2.gz ZLXNWDSMKAYJNN-IUCAKERBSA-N 1 2 238.291 0.546 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)[nH]1 ZINC000332708738 387003533 /nfs/dbraw/zinc/00/35/33/387003533.db2.gz YQKBCWNDQUGBOR-DTWKUNHWSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)[nH]1 ZINC000332708738 387003535 /nfs/dbraw/zinc/00/35/35/387003535.db2.gz YQKBCWNDQUGBOR-DTWKUNHWSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)[nH]1 ZINC000332708721 387004000 /nfs/dbraw/zinc/00/40/00/387004000.db2.gz YQKBCWNDQUGBOR-BDAKNGLRSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)[nH]1 ZINC000332708721 387004002 /nfs/dbraw/zinc/00/40/02/387004002.db2.gz YQKBCWNDQUGBOR-BDAKNGLRSA-N 1 2 224.308 0.883 20 0 BCADLO Cc1oncc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332726711 387005113 /nfs/dbraw/zinc/00/51/13/387005113.db2.gz UEBZLZYSDNDOPN-SNVBAGLBSA-N 1 2 244.316 0.602 20 0 BCADLO Cc1oncc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332726711 387005122 /nfs/dbraw/zinc/00/51/22/387005122.db2.gz UEBZLZYSDNDOPN-SNVBAGLBSA-N 1 2 244.316 0.602 20 0 BCADLO CC(C)(CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331056664 386949915 /nfs/dbraw/zinc/94/99/15/386949915.db2.gz LIODPUAAVWXFTB-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CC(C)(CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331056664 386949921 /nfs/dbraw/zinc/94/99/21/386949921.db2.gz LIODPUAAVWXFTB-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425384048 387034498 /nfs/dbraw/zinc/03/44/98/387034498.db2.gz MDSZUMASPDJTQA-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425384048 387034503 /nfs/dbraw/zinc/03/45/03/387034503.db2.gz MDSZUMASPDJTQA-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO CCOCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330557785 387037010 /nfs/dbraw/zinc/03/70/10/387037010.db2.gz HSVKISBQLFOREL-SFYZADRCSA-N 1 2 204.245 0.971 20 0 BCADLO CCOCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330557785 387037014 /nfs/dbraw/zinc/03/70/14/387037014.db2.gz HSVKISBQLFOREL-SFYZADRCSA-N 1 2 204.245 0.971 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000333463931 387037626 /nfs/dbraw/zinc/03/76/26/387037626.db2.gz MGESIGXIZIKSLI-NSHDSACASA-N 1 2 247.306 0.244 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000333463931 387037629 /nfs/dbraw/zinc/03/76/29/387037629.db2.gz MGESIGXIZIKSLI-NSHDSACASA-N 1 2 247.306 0.244 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369410559 387042763 /nfs/dbraw/zinc/04/27/63/387042763.db2.gz SXKURXDVFNQIGC-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369410559 387042766 /nfs/dbraw/zinc/04/27/66/387042766.db2.gz SXKURXDVFNQIGC-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)N(CC2CC2)C1 ZINC000418031855 387043189 /nfs/dbraw/zinc/04/31/89/387043189.db2.gz OXGRDFRZWOFJPQ-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369482703 387050132 /nfs/dbraw/zinc/05/01/32/387050132.db2.gz DAKNUDZQEUAKKB-SNVBAGLBSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369482703 387050137 /nfs/dbraw/zinc/05/01/37/387050137.db2.gz DAKNUDZQEUAKKB-SNVBAGLBSA-N 1 2 236.319 0.816 20 0 BCADLO CCc1cc(N[C@H]2CCCNC2=O)nc[nH+]1 ZINC000050396564 387052525 /nfs/dbraw/zinc/05/25/25/387052525.db2.gz PMCBNNISWAHIAH-VIFPVBQESA-N 1 2 220.276 0.730 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000359103047 387055218 /nfs/dbraw/zinc/05/52/18/387055218.db2.gz MTKDZIWYHMONHP-GXFFZTMASA-N 1 2 249.314 0.805 20 0 BCADLO Cc1nc(N2CC(=O)N(C)C2)c(C)c(C)[nH+]1 ZINC000359100733 387056095 /nfs/dbraw/zinc/05/60/95/387056095.db2.gz XXQPNTPBAUUPPU-UHFFFAOYSA-N 1 2 220.276 0.638 20 0 BCADLO COC(=O)C1(C[NH2+]Cc2cn[nH]c2C)CC1 ZINC000188675002 387063702 /nfs/dbraw/zinc/06/37/02/387063702.db2.gz WWYVAVRAJIMOMX-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CC[N@H+](CC(=O)N(C)C(C)C)[C@H]1CCNC1=O ZINC000331301900 387009248 /nfs/dbraw/zinc/00/92/48/387009248.db2.gz PSXXGXYYWPKYCS-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C(C)C)[C@H]1CCNC1=O ZINC000331301900 387009252 /nfs/dbraw/zinc/00/92/52/387009252.db2.gz PSXXGXYYWPKYCS-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO COC1(C)C[NH+](Cc2cc(C)nn2C)C1 ZINC000334932781 387009664 /nfs/dbraw/zinc/00/96/64/387009664.db2.gz XRNGVGYRSRPMFF-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000331296537 387010332 /nfs/dbraw/zinc/01/03/32/387010332.db2.gz NIOLXVDITFCSGU-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000331296537 387010337 /nfs/dbraw/zinc/01/03/37/387010337.db2.gz NIOLXVDITFCSGU-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368794356 387012459 /nfs/dbraw/zinc/01/24/59/387012459.db2.gz BDMMEXCHZZAICO-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368794356 387012466 /nfs/dbraw/zinc/01/24/66/387012466.db2.gz BDMMEXCHZZAICO-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO CCOCC[N@H+](C)Cc1cncnc1OC ZINC000648021929 387017488 /nfs/dbraw/zinc/01/74/88/387017488.db2.gz RONBBMJJVFRZGX-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CCOCC[N@@H+](C)Cc1cncnc1OC ZINC000648021929 387017491 /nfs/dbraw/zinc/01/74/91/387017491.db2.gz RONBBMJJVFRZGX-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@](F)(CO)C2)C1=O ZINC000334943287 387020029 /nfs/dbraw/zinc/02/00/29/387020029.db2.gz IRDYWXYYYHXUOL-CMPLNLGQSA-N 1 2 244.310 0.402 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CC[C@](F)(CO)C2)C1=O ZINC000334943287 387020035 /nfs/dbraw/zinc/02/00/35/387020035.db2.gz IRDYWXYYYHXUOL-CMPLNLGQSA-N 1 2 244.310 0.402 20 0 BCADLO COC(=O)C1(C)CN(Cc2[nH+]cc(C)n2C)C1 ZINC000425377105 387029949 /nfs/dbraw/zinc/02/99/49/387029949.db2.gz ZIRDJHSUENXXTN-UHFFFAOYSA-N 1 2 237.303 0.723 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)OC)C[C@@]2(CCOC2)O1 ZINC000369876840 387074054 /nfs/dbraw/zinc/07/40/54/387074054.db2.gz DEMMKFFMQCJETM-CMPLNLGQSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)OC)C[C@@]2(CCOC2)O1 ZINC000369876840 387074058 /nfs/dbraw/zinc/07/40/58/387074058.db2.gz DEMMKFFMQCJETM-CMPLNLGQSA-N 1 2 243.303 0.429 20 0 BCADLO Cn1ccc(C[N@@H+]2CCSC[C@@H]2CO)n1 ZINC000334988380 387076570 /nfs/dbraw/zinc/07/65/70/387076570.db2.gz QESWDDAABJTHGA-JTQLQIEISA-N 1 2 227.333 0.330 20 0 BCADLO Cn1ccc(C[N@H+]2CCSC[C@@H]2CO)n1 ZINC000334988380 387076575 /nfs/dbraw/zinc/07/65/75/387076575.db2.gz QESWDDAABJTHGA-JTQLQIEISA-N 1 2 227.333 0.330 20 0 BCADLO Cc1nnsc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819021 387078247 /nfs/dbraw/zinc/07/82/47/387078247.db2.gz HUFKWFDUQXXIJB-UHFFFAOYSA-N 1 2 237.288 0.842 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000352376299 387130837 /nfs/dbraw/zinc/13/08/37/387130837.db2.gz NCSQNUQWIBCBPP-ZYHUDNBSSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@](F)(CO)C1 ZINC000352376299 387130839 /nfs/dbraw/zinc/13/08/39/387130839.db2.gz NCSQNUQWIBCBPP-ZYHUDNBSSA-N 1 2 247.310 0.980 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000066563164 387086407 /nfs/dbraw/zinc/08/64/07/387086407.db2.gz VSPFATJRSGRSKB-JTQLQIEISA-N 1 2 241.335 0.243 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000066563164 387086411 /nfs/dbraw/zinc/08/64/11/387086411.db2.gz VSPFATJRSGRSKB-JTQLQIEISA-N 1 2 241.335 0.243 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCCC1 ZINC000336259423 387089812 /nfs/dbraw/zinc/08/98/12/387089812.db2.gz ACGJFCKGNLXVQO-VIFPVBQESA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCCC1 ZINC000336259423 387089815 /nfs/dbraw/zinc/08/98/15/387089815.db2.gz ACGJFCKGNLXVQO-VIFPVBQESA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCCC1 ZINC000336259422 387090518 /nfs/dbraw/zinc/09/05/18/387090518.db2.gz ACGJFCKGNLXVQO-SECBINFHSA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCCC1 ZINC000336259422 387090519 /nfs/dbraw/zinc/09/05/19/387090519.db2.gz ACGJFCKGNLXVQO-SECBINFHSA-N 1 2 200.257 0.653 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1C[Si](C)(C)C ZINC000370141626 387092195 /nfs/dbraw/zinc/09/21/95/387092195.db2.gz UKQVERNORVEZSG-VIFPVBQESA-N 1 2 231.368 0.738 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1C[Si](C)(C)C ZINC000370141626 387092200 /nfs/dbraw/zinc/09/22/00/387092200.db2.gz UKQVERNORVEZSG-VIFPVBQESA-N 1 2 231.368 0.738 20 0 BCADLO COC(=O)[C@H]1COCC[N@@H+]1C[Si](C)(C)C ZINC000370141625 387093019 /nfs/dbraw/zinc/09/30/19/387093019.db2.gz UKQVERNORVEZSG-SECBINFHSA-N 1 2 231.368 0.738 20 0 BCADLO COC(=O)[C@H]1COCC[N@H+]1C[Si](C)(C)C ZINC000370141625 387093021 /nfs/dbraw/zinc/09/30/21/387093021.db2.gz UKQVERNORVEZSG-SECBINFHSA-N 1 2 231.368 0.738 20 0 BCADLO O=C(CC[NH2+]Cc1ccn[nH]1)N1CCCCC1 ZINC000066973394 387093153 /nfs/dbraw/zinc/09/31/53/387093153.db2.gz MJXREKGIRDKVPF-UHFFFAOYSA-N 1 2 236.319 0.902 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066831936 387093283 /nfs/dbraw/zinc/09/32/83/387093283.db2.gz DOUQSLSEYREUFJ-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066831936 387093287 /nfs/dbraw/zinc/09/32/87/387093287.db2.gz DOUQSLSEYREUFJ-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000067457114 387094697 /nfs/dbraw/zinc/09/46/97/387094697.db2.gz NYTWFVPSRKPGCE-VIFPVBQESA-N 1 2 225.317 0.901 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000067457114 387094701 /nfs/dbraw/zinc/09/47/01/387094701.db2.gz NYTWFVPSRKPGCE-VIFPVBQESA-N 1 2 225.317 0.901 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336269662 387103589 /nfs/dbraw/zinc/10/35/89/387103589.db2.gz UCXMWBWWOVMUAB-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336269662 387103592 /nfs/dbraw/zinc/10/35/92/387103592.db2.gz UCXMWBWWOVMUAB-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334199 387104477 /nfs/dbraw/zinc/10/44/77/387104477.db2.gz ZGQZNODVCSTLKO-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334199 387104484 /nfs/dbraw/zinc/10/44/84/387104484.db2.gz ZGQZNODVCSTLKO-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCOCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000068504783 387105559 /nfs/dbraw/zinc/10/55/59/387105559.db2.gz RHOUWMAQKYBNEU-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352365749 387109139 /nfs/dbraw/zinc/10/91/39/387109139.db2.gz WJJDIUJDFVJZFX-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352365749 387109142 /nfs/dbraw/zinc/10/91/42/387109142.db2.gz WJJDIUJDFVJZFX-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO Cc1ccc(C[NH+]2CCN(CCO)CC2)c(C)n1 ZINC000186561501 387111213 /nfs/dbraw/zinc/11/12/13/387111213.db2.gz VBIIVPJMFMQTQM-UHFFFAOYSA-N 1 2 249.358 0.808 20 0 BCADLO O=C1OCC[C@@H]1[NH+]1CCC(c2cnccn2)CC1 ZINC000370451783 387116005 /nfs/dbraw/zinc/11/60/05/387116005.db2.gz CMTITNUWLHXEIV-LBPRGKRZSA-N 1 2 247.298 0.972 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H](O)C1 ZINC000370491370 387121150 /nfs/dbraw/zinc/12/11/50/387121150.db2.gz LMNNCOANDHWDJK-UWVGGRQHSA-N 1 2 249.314 0.813 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000336301395 387132402 /nfs/dbraw/zinc/13/24/02/387132402.db2.gz GQOOFURALQMTSM-VHSXEESVSA-N 1 2 237.303 0.919 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000336317477 387143549 /nfs/dbraw/zinc/14/35/49/387143549.db2.gz ZUXJCCTXVVPGKH-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(N)=O)c1 ZINC000353139435 387143953 /nfs/dbraw/zinc/14/39/53/387143953.db2.gz LEEDAASZWKDEFM-UHFFFAOYSA-N 1 2 244.254 0.511 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cccnc1 ZINC000186954836 387157148 /nfs/dbraw/zinc/15/71/48/387157148.db2.gz WCRWFYPCDCCGRG-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cccnc1 ZINC000186954836 387157152 /nfs/dbraw/zinc/15/71/52/387157152.db2.gz WCRWFYPCDCCGRG-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO COC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353283724 387170456 /nfs/dbraw/zinc/17/04/56/387170456.db2.gz AZURCDIZOKBBIV-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353283724 387170459 /nfs/dbraw/zinc/17/04/59/387170459.db2.gz AZURCDIZOKBBIV-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353283725 387171017 /nfs/dbraw/zinc/17/10/17/387171017.db2.gz AZURCDIZOKBBIV-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353283725 387171018 /nfs/dbraw/zinc/17/10/18/387171018.db2.gz AZURCDIZOKBBIV-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCC[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000359830515 387171539 /nfs/dbraw/zinc/17/15/39/387171539.db2.gz ISHLIIVFCHFLBA-NEPJUHHUSA-N 1 2 240.347 0.871 20 0 BCADLO COC(=O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571818213 387177493 /nfs/dbraw/zinc/17/74/93/387177493.db2.gz OQDYVTAMZVTXIL-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571818213 387177500 /nfs/dbraw/zinc/17/75/00/387177500.db2.gz OQDYVTAMZVTXIL-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)CCCCO ZINC000352420242 387178783 /nfs/dbraw/zinc/17/87/83/387178783.db2.gz ANJTUTCHJUNFTQ-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)CCCCO ZINC000352420242 387178787 /nfs/dbraw/zinc/17/87/87/387178787.db2.gz ANJTUTCHJUNFTQ-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000336350566 387180396 /nfs/dbraw/zinc/18/03/96/387180396.db2.gz DWYCBNOXMNDPJU-JTQLQIEISA-N 1 2 223.276 0.612 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000336350566 387180397 /nfs/dbraw/zinc/18/03/97/387180397.db2.gz DWYCBNOXMNDPJU-JTQLQIEISA-N 1 2 223.276 0.612 20 0 BCADLO Cn1c[nH+]cc1Cn1cnn(C(C)(C)C)c1=O ZINC000336354100 387182663 /nfs/dbraw/zinc/18/26/63/387182663.db2.gz NYWYSAZWDDZFDY-UHFFFAOYSA-N 1 2 235.291 0.582 20 0 BCADLO CC[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000367362482 387190243 /nfs/dbraw/zinc/19/02/43/387190243.db2.gz XVHKIOAJTWRFFE-VIFPVBQESA-N 1 2 240.307 0.461 20 0 BCADLO CN(CC1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000119435396 387132899 /nfs/dbraw/zinc/13/28/99/387132899.db2.gz GPRLVYWFMKNIIL-UHFFFAOYSA-N 1 2 241.335 0.370 20 0 BCADLO COC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186798742 387137268 /nfs/dbraw/zinc/13/72/68/387137268.db2.gz MKUBIWFPJLEDHR-UHFFFAOYSA-N 1 2 245.344 0.757 20 0 BCADLO COC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186798742 387137272 /nfs/dbraw/zinc/13/72/72/387137272.db2.gz MKUBIWFPJLEDHR-UHFFFAOYSA-N 1 2 245.344 0.757 20 0 BCADLO C[N@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCNC1=O ZINC000336358453 387203110 /nfs/dbraw/zinc/20/31/10/387203110.db2.gz LCORVBHTZWDAOZ-LLVKDONJSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCNC1=O ZINC000336358453 387203116 /nfs/dbraw/zinc/20/31/16/387203116.db2.gz LCORVBHTZWDAOZ-LLVKDONJSA-N 1 2 244.298 0.883 20 0 BCADLO CC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000359977041 387204912 /nfs/dbraw/zinc/20/49/12/387204912.db2.gz NNXZXTKPQATVSG-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCn1ncnc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000193274569 387205183 /nfs/dbraw/zinc/20/51/83/387205183.db2.gz YAWWYVPDYOPBAF-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000353467611 387206179 /nfs/dbraw/zinc/20/61/79/387206179.db2.gz CDXBRMOTWCSAEL-ZJUUUORDSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000353467611 387206183 /nfs/dbraw/zinc/20/61/83/387206183.db2.gz CDXBRMOTWCSAEL-ZJUUUORDSA-N 1 2 212.249 0.175 20 0 BCADLO COCc1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000353489274 387215087 /nfs/dbraw/zinc/21/50/87/387215087.db2.gz PDWWGCKGSMWUCY-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000353489274 387215093 /nfs/dbraw/zinc/21/50/93/387215093.db2.gz PDWWGCKGSMWUCY-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO Cc1nnc(C[NH2+][C@H](CO)c2ccccc2)n1C ZINC000063002565 387219881 /nfs/dbraw/zinc/21/98/81/387219881.db2.gz LOYLJRHYAHMAME-GFCCVEGCSA-N 1 2 246.314 0.947 20 0 BCADLO C[C@@H](C(=O)N(C)C1CCC1)[NH+]1CCN(C)CC1 ZINC000336395459 387224149 /nfs/dbraw/zinc/22/41/49/387224149.db2.gz BSJYGOUBGQTQME-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO CCCn1ncnc1C[N@H+](CCO)CC1CC1 ZINC000352468393 387229222 /nfs/dbraw/zinc/22/92/22/387229222.db2.gz RUGLLXMAIKNGLF-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1ncnc1C[N@@H+](CCO)CC1CC1 ZINC000352468393 387229226 /nfs/dbraw/zinc/22/92/26/387229226.db2.gz RUGLLXMAIKNGLF-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[C@@](O)(CO)CNc1cc[nH+]c2ccncc12 ZINC000360123671 387229965 /nfs/dbraw/zinc/22/99/65/387229965.db2.gz PPCUVWLQBVPQSO-LBPRGKRZSA-N 1 2 233.271 0.207 20 0 BCADLO Cc1nnsc1C[NH2+]CN1CCC(=O)CC1 ZINC000292879067 387230992 /nfs/dbraw/zinc/23/09/92/387230992.db2.gz XKLFSPAUQWLJFS-UHFFFAOYSA-N 1 2 240.332 0.559 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(C)=O)CC1 ZINC000336403120 387232713 /nfs/dbraw/zinc/23/27/13/387232713.db2.gz FUVJKDJRTBCFEA-SNVBAGLBSA-N 1 2 202.273 0.899 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc[nH]c(=O)c1 ZINC000230177048 387240871 /nfs/dbraw/zinc/24/08/71/387240871.db2.gz VJHRGSIWFGHNQN-SECBINFHSA-N 1 2 246.270 0.390 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193309618 387194829 /nfs/dbraw/zinc/19/48/29/387194829.db2.gz JWAULKMNUVMICV-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193309618 387194835 /nfs/dbraw/zinc/19/48/35/387194835.db2.gz JWAULKMNUVMICV-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000336424812 387254287 /nfs/dbraw/zinc/25/42/87/387254287.db2.gz AZXCIVRFMCQBCY-SCZZXKLOSA-N 1 2 213.256 0.325 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000336424812 387254291 /nfs/dbraw/zinc/25/42/91/387254291.db2.gz AZXCIVRFMCQBCY-SCZZXKLOSA-N 1 2 213.256 0.325 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(N)=O ZINC000285666078 387268365 /nfs/dbraw/zinc/26/83/65/387268365.db2.gz MJJNBFQAOCFNSC-PHDIDXHHSA-N 1 2 229.230 0.884 20 0 BCADLO C[C@H](CF)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336442435 387270620 /nfs/dbraw/zinc/27/06/20/387270620.db2.gz IBWBQQZWAGVHHL-BDAKNGLRSA-N 1 2 240.282 0.855 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](C)S(C)(=O)=O)[nH]c1C ZINC000514734600 387281356 /nfs/dbraw/zinc/28/13/56/387281356.db2.gz ILDNXLBHEYDCLU-SSDOTTSWSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1[nH]c(CNC[C@@H](C)S(C)(=O)=O)[nH+]c1C ZINC000514734600 387281362 /nfs/dbraw/zinc/28/13/62/387281362.db2.gz ILDNXLBHEYDCLU-SSDOTTSWSA-N 1 2 245.348 0.549 20 0 BCADLO CO[C@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856783 387284070 /nfs/dbraw/zinc/28/40/70/387284070.db2.gz UXTWQWGZKCSUAI-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO CO[C@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114856783 387284077 /nfs/dbraw/zinc/28/40/77/387284077.db2.gz UXTWQWGZKCSUAI-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)[C@@H]1CCCNC1=O ZINC000336463849 387292324 /nfs/dbraw/zinc/29/23/24/387292324.db2.gz ZSDVSYDDONJZAW-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCCNC1=O ZINC000336463849 387292335 /nfs/dbraw/zinc/29/23/35/387292335.db2.gz ZSDVSYDDONJZAW-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO Cc1noc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000514799995 387294456 /nfs/dbraw/zinc/29/44/56/387294456.db2.gz ZTIZROROPJNXAR-IUCAKERBSA-N 1 2 241.291 0.866 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459799389 387301912 /nfs/dbraw/zinc/30/19/12/387301912.db2.gz WVWGHJCUXJQJAV-IUCAKERBSA-N 1 2 239.348 0.944 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459799389 387301919 /nfs/dbraw/zinc/30/19/19/387301919.db2.gz WVWGHJCUXJQJAV-IUCAKERBSA-N 1 2 239.348 0.944 20 0 BCADLO COC[C@](C)([NH2+]CCCSC)C(=O)OC ZINC000121152024 387305026 /nfs/dbraw/zinc/30/50/26/387305026.db2.gz ADOHMEVYPHIPEI-JTQLQIEISA-N 1 2 235.349 0.907 20 0 BCADLO CS(=O)(=O)CC[NH+]1CC2(C1)CCCC2 ZINC000372488560 387305653 /nfs/dbraw/zinc/30/56/53/387305653.db2.gz BWKCTYWXIREJMA-UHFFFAOYSA-N 1 2 217.334 0.907 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cn(C)cn1)CC2 ZINC000373304042 387356344 /nfs/dbraw/zinc/35/63/44/387356344.db2.gz QRDQVONBTZNGOE-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360836548 387356804 /nfs/dbraw/zinc/35/68/04/387356804.db2.gz XCLHURXEMNHLEZ-YUMQZZPRSA-N 1 2 236.262 0.261 20 0 BCADLO Cc1nc(N(C)C)nc(NC2(CCO)CC2)[nH+]1 ZINC000431499571 387361671 /nfs/dbraw/zinc/36/16/71/387361671.db2.gz IVJCCERTNYFKMU-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO Cc1nc(NC2(CCO)CC2)nc(N(C)C)[nH+]1 ZINC000431499571 387361676 /nfs/dbraw/zinc/36/16/76/387361676.db2.gz IVJCCERTNYFKMU-UHFFFAOYSA-N 1 2 237.307 0.573 20 0 BCADLO COC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000515377422 387370230 /nfs/dbraw/zinc/37/02/30/387370230.db2.gz ZIZVGUHLLGOCIN-SNVBAGLBSA-N 1 2 208.261 0.405 20 0 BCADLO COC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000515377422 387370236 /nfs/dbraw/zinc/37/02/36/387370236.db2.gz ZIZVGUHLLGOCIN-SNVBAGLBSA-N 1 2 208.261 0.405 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611853046 387373957 /nfs/dbraw/zinc/37/39/57/387373957.db2.gz NCNDFQWPBWESGG-BDAKNGLRSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611853046 387373961 /nfs/dbraw/zinc/37/39/61/387373961.db2.gz NCNDFQWPBWESGG-BDAKNGLRSA-N 1 2 237.303 0.354 20 0 BCADLO Cn1c[nH+]cc1CN1CC[S@@](=O)CC1(C)C ZINC000336554429 387378759 /nfs/dbraw/zinc/37/87/59/387378759.db2.gz MMAMIDWXXQPYLX-MRXNPFEDSA-N 1 2 241.360 0.763 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360600698 387319549 /nfs/dbraw/zinc/31/95/49/387319549.db2.gz XASBXOCXLSFIDQ-IUCAKERBSA-N 1 2 211.265 0.423 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000572323961 387321730 /nfs/dbraw/zinc/32/17/30/387321730.db2.gz BPTGTMXEVXYRLP-SNVBAGLBSA-N 1 2 235.287 0.498 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000572323961 387321735 /nfs/dbraw/zinc/32/17/35/387321735.db2.gz BPTGTMXEVXYRLP-SNVBAGLBSA-N 1 2 235.287 0.498 20 0 BCADLO CCO[C@H](CC)C(=O)NCc1c[nH+]cn1C ZINC000572331871 387323670 /nfs/dbraw/zinc/32/36/70/387323670.db2.gz VSGWSWXNQUMXDM-SNVBAGLBSA-N 1 2 225.292 0.851 20 0 BCADLO Cn1cc[nH+]c1Cn1nnc(-c2ccco2)n1 ZINC000360626191 387324107 /nfs/dbraw/zinc/32/41/07/387324107.db2.gz ORCOLKXYGLSPEB-UHFFFAOYSA-N 1 2 230.231 0.715 20 0 BCADLO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000164896654 387331338 /nfs/dbraw/zinc/33/13/38/387331338.db2.gz LPKOENAQUGNCCT-DTWKUNHWSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)CN1CCC[C@H]1c1[nH+]ccn1C ZINC000372944480 387335306 /nfs/dbraw/zinc/33/53/06/387335306.db2.gz FGZWTBOXXGBYOV-VIFPVBQESA-N 1 2 223.276 0.730 20 0 BCADLO CC(C)(C)CS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164918309 387335942 /nfs/dbraw/zinc/33/59/42/387335942.db2.gz MOOOKKVSRUUERR-UHFFFAOYSA-N 1 2 244.307 0.546 20 0 BCADLO CC1(C)C[S@@](=O)CCN1CCn1cc[nH+]c1 ZINC000336513521 387337436 /nfs/dbraw/zinc/33/74/36/387337436.db2.gz OEAGXODSQCJEPF-INIZCTEOSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000336513521 387337439 /nfs/dbraw/zinc/33/74/39/387337439.db2.gz OEAGXODSQCJEPF-INIZCTEOSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1CCn1ccnc1 ZINC000336513521 387337444 /nfs/dbraw/zinc/33/74/44/387337444.db2.gz OEAGXODSQCJEPF-INIZCTEOSA-N 1 2 241.360 0.726 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000515188342 387347554 /nfs/dbraw/zinc/34/75/54/387347554.db2.gz DEFOYIQELWUTSH-GHMZBOCLSA-N 1 2 239.319 0.967 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000354211832 387347970 /nfs/dbraw/zinc/34/79/70/387347970.db2.gz YIGCQWKZUCHBIR-GRYCIOLGSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000354211832 387347975 /nfs/dbraw/zinc/34/79/75/387347975.db2.gz YIGCQWKZUCHBIR-GRYCIOLGSA-N 1 2 239.363 0.395 20 0 BCADLO O=C(COC(F)F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000354235828 387349189 /nfs/dbraw/zinc/34/91/89/387349189.db2.gz GTOGNHBVOPVZKP-LURJTMIESA-N 1 2 245.229 0.622 20 0 BCADLO O=C(COC(F)F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000354235828 387349194 /nfs/dbraw/zinc/34/91/94/387349194.db2.gz GTOGNHBVOPVZKP-LURJTMIESA-N 1 2 245.229 0.622 20 0 BCADLO C[C@@H](C(=O)NCCCCF)[NH+]1CCOCC1 ZINC000360819369 387353211 /nfs/dbraw/zinc/35/32/11/387353211.db2.gz QYBHHELUOGFCTH-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661567 387425571 /nfs/dbraw/zinc/42/55/71/387425571.db2.gz UGBJZDVEWACFQH-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661567 387425576 /nfs/dbraw/zinc/42/55/76/387425576.db2.gz UGBJZDVEWACFQH-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H](NC(=O)[C@@H](O)C(C)C)c1[nH]cc[nH+]1 ZINC000354763738 387426909 /nfs/dbraw/zinc/42/69/09/387426909.db2.gz DBFHQGMHSHOTJI-IUCAKERBSA-N 1 2 225.292 0.994 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](O)C(C)C)c1[nH]cc[nH+]1 ZINC000354763735 387428001 /nfs/dbraw/zinc/42/80/01/387428001.db2.gz DBFHQGMHSHOTJI-BDAKNGLRSA-N 1 2 225.292 0.994 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CCC[C@@H]1O ZINC000352669456 387432864 /nfs/dbraw/zinc/43/28/64/387432864.db2.gz ZXTROXDHNQOGFV-UWVGGRQHSA-N 1 2 242.298 0.593 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CCC[C@@H]1O ZINC000352669456 387432867 /nfs/dbraw/zinc/43/28/67/387432867.db2.gz ZXTROXDHNQOGFV-UWVGGRQHSA-N 1 2 242.298 0.593 20 0 BCADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccncc1 ZINC000304120384 387440595 /nfs/dbraw/zinc/44/05/95/387440595.db2.gz QHYYOTBXHGHOAA-JTQLQIEISA-N 1 2 221.260 0.087 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccncc1 ZINC000304120384 387440598 /nfs/dbraw/zinc/44/05/98/387440598.db2.gz QHYYOTBXHGHOAA-JTQLQIEISA-N 1 2 221.260 0.087 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOC[C@H](C)C1 ZINC000374366436 387445126 /nfs/dbraw/zinc/44/51/26/387445126.db2.gz NUOPIVDCVUTARI-SNVBAGLBSA-N 1 2 235.349 0.389 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOC[C@H](C)C1 ZINC000374366436 387445130 /nfs/dbraw/zinc/44/51/30/387445130.db2.gz NUOPIVDCVUTARI-SNVBAGLBSA-N 1 2 235.349 0.389 20 0 BCADLO COc1ncccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352703957 387446663 /nfs/dbraw/zinc/44/66/63/387446663.db2.gz ZNKGFGSIHBZZFG-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ncccc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352703957 387446667 /nfs/dbraw/zinc/44/66/67/387446667.db2.gz ZNKGFGSIHBZZFG-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000162653954 387462286 /nfs/dbraw/zinc/46/22/86/387462286.db2.gz QPYNFMUZHNLOAU-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000162653954 387462293 /nfs/dbraw/zinc/46/22/93/387462293.db2.gz QPYNFMUZHNLOAU-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc[nH]n3)C2)O1 ZINC000373635361 387386206 /nfs/dbraw/zinc/38/62/06/387386206.db2.gz BWMDJLYRNHDNTO-LLVKDONJSA-N 1 2 236.275 0.484 20 0 BCADLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)O1 ZINC000373635361 387386207 /nfs/dbraw/zinc/38/62/07/387386207.db2.gz BWMDJLYRNHDNTO-LLVKDONJSA-N 1 2 236.275 0.484 20 0 BCADLO O=C1[C@H]([NH+]2CCN(C3CC3)CC2)CCN1C1CC1 ZINC000336568888 387393923 /nfs/dbraw/zinc/39/39/23/387393923.db2.gz LGHWYLXRAZEUPA-CYBMUJFWSA-N 1 2 249.358 0.530 20 0 BCADLO CCn1c[nH+]cc1[C@@H]1NC(=O)CN1CC(C)C ZINC000515617800 387410224 /nfs/dbraw/zinc/41/02/24/387410224.db2.gz UNOSCTAIGAILST-GFCCVEGCSA-N 1 2 236.319 0.989 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000267351377 387410326 /nfs/dbraw/zinc/41/03/26/387410326.db2.gz FWTFDDJRKRGTLD-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000267351379 387410427 /nfs/dbraw/zinc/41/04/27/387410427.db2.gz FWTFDDJRKRGTLD-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000361187423 387412495 /nfs/dbraw/zinc/41/24/95/387412495.db2.gz ITJJJRMIEWRJFY-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO Cn1cc(C[N@H+](C)CC(N)=O)c(C(F)F)n1 ZINC000361181639 387412728 /nfs/dbraw/zinc/41/27/28/387412728.db2.gz PMJMTENTUKMRFM-UHFFFAOYSA-N 1 2 232.234 0.275 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(N)=O)c(C(F)F)n1 ZINC000361181639 387412733 /nfs/dbraw/zinc/41/27/33/387412733.db2.gz PMJMTENTUKMRFM-UHFFFAOYSA-N 1 2 232.234 0.275 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000374040420 387414185 /nfs/dbraw/zinc/41/41/85/387414185.db2.gz ROAJSCBQFUBXNX-RNCFNFMXSA-N 1 2 249.314 0.813 20 0 BCADLO CC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000336593230 387419347 /nfs/dbraw/zinc/41/93/47/387419347.db2.gz YJZXJZBVYYDWBH-MRVPVSSYSA-N 1 2 235.287 0.420 20 0 BCADLO CC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000336593230 387419348 /nfs/dbraw/zinc/41/93/48/387419348.db2.gz YJZXJZBVYYDWBH-MRVPVSSYSA-N 1 2 235.287 0.420 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H]2CCC[C@H]2O)n1 ZINC000352657812 387422338 /nfs/dbraw/zinc/42/23/38/387422338.db2.gz HDHNUHAQGBEXEV-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H]2CCC[C@H]2O)n1 ZINC000352657812 387422339 /nfs/dbraw/zinc/42/23/39/387422339.db2.gz HDHNUHAQGBEXEV-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CCNC1=O ZINC000355188143 387495274 /nfs/dbraw/zinc/49/52/74/387495274.db2.gz AXYVNFOLSZTRML-SNVBAGLBSA-N 1 2 248.282 0.736 20 0 BCADLO C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CCNC1=O ZINC000355188143 387495278 /nfs/dbraw/zinc/49/52/78/387495278.db2.gz AXYVNFOLSZTRML-SNVBAGLBSA-N 1 2 248.282 0.736 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000516295668 387498054 /nfs/dbraw/zinc/49/80/54/387498054.db2.gz XEUKBOBFJQLBNU-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000516295668 387498056 /nfs/dbraw/zinc/49/80/56/387498056.db2.gz XEUKBOBFJQLBNU-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1(O)CCC1)C2 ZINC000374929110 387498787 /nfs/dbraw/zinc/49/87/87/387498787.db2.gz PGLZAVHBBOMWNC-JTQLQIEISA-N 1 2 249.314 0.538 20 0 BCADLO COc1c(O)cccc1C[NH2+]C1(C(N)=O)CC1 ZINC000361579240 387502986 /nfs/dbraw/zinc/50/29/86/387502986.db2.gz BXUXZLWZCCOZOY-UHFFFAOYSA-N 1 2 236.271 0.508 20 0 BCADLO C[C@H](CO)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000355244330 387505572 /nfs/dbraw/zinc/50/55/72/387505572.db2.gz USUCXEUPWCMKGV-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CO[C@H]([C@@H](C)NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000521449138 387506699 /nfs/dbraw/zinc/50/66/99/387506699.db2.gz ZRQQILPDJVFZFM-BXKDBHETSA-N 1 2 237.303 0.813 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ncccc2N)c1 ZINC000313255492 387510416 /nfs/dbraw/zinc/51/04/16/387510416.db2.gz ZEAMRXODRONFCZ-UHFFFAOYSA-N 1 2 245.286 0.370 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N(CCO)C1CC1 ZINC000355279699 387511311 /nfs/dbraw/zinc/51/13/11/387511311.db2.gz CPVPHVRSSXDPQV-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000300021247 387511309 /nfs/dbraw/zinc/51/13/09/387511309.db2.gz UVPSYLZKKXSCIR-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000300021247 387511316 /nfs/dbraw/zinc/51/13/16/387511316.db2.gz UVPSYLZKKXSCIR-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC1(C)C ZINC000122364988 387515549 /nfs/dbraw/zinc/51/55/49/387515549.db2.gz IOKWIXHCTFVRMT-NSHDSACASA-N 1 2 240.347 0.823 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COCC(C)C ZINC000361640043 387516004 /nfs/dbraw/zinc/51/60/04/387516004.db2.gz RQPGBORVPAEAEX-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COCC(C)C ZINC000361640043 387516009 /nfs/dbraw/zinc/51/60/09/387516009.db2.gz RQPGBORVPAEAEX-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1[C@H](C)C[C@@H]1C ZINC000527182572 387518145 /nfs/dbraw/zinc/51/81/45/387518145.db2.gz BFGDLKHPAGKKGU-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1[C@H](C)C[C@@H]1C ZINC000527182572 387518153 /nfs/dbraw/zinc/51/81/53/387518153.db2.gz BFGDLKHPAGKKGU-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000355354762 387523967 /nfs/dbraw/zinc/52/39/67/387523967.db2.gz LTFKGGLIAINQEA-UHFFFAOYSA-N 1 2 233.275 0.037 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000355354762 387523970 /nfs/dbraw/zinc/52/39/70/387523970.db2.gz LTFKGGLIAINQEA-UHFFFAOYSA-N 1 2 233.275 0.037 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCOCC1(C)C ZINC000192701558 387524365 /nfs/dbraw/zinc/52/43/65/387524365.db2.gz PPGXBYZAIBINDZ-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCOCC1(C)C ZINC000192701558 387524368 /nfs/dbraw/zinc/52/43/68/387524368.db2.gz PPGXBYZAIBINDZ-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO c1cn2c([nH+]1)CN(Cc1ncccn1)CC2 ZINC000361703371 387524555 /nfs/dbraw/zinc/52/45/55/387524555.db2.gz RVPQAZNWRZNWGV-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO COC(=O)C1([NH2+]C[C@H](C)O)CCCCC1 ZINC000192722939 387525305 /nfs/dbraw/zinc/52/53/05/387525305.db2.gz GQVIBYPYMFUXHU-VIFPVBQESA-N 1 2 215.293 0.833 20 0 BCADLO O=C1N=NC(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)S1 ZINC000375336850 387528693 /nfs/dbraw/zinc/52/86/93/387528693.db2.gz KJILDCMLFPAWAP-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO O=C1N=NC(C[N@H+]2CC[C@H]3OCC[C@H]3C2)S1 ZINC000375336850 387528696 /nfs/dbraw/zinc/52/86/96/387528696.db2.gz KJILDCMLFPAWAP-JGVFFNPUSA-N 1 2 241.316 0.855 20 0 BCADLO C[C@H]1C[N@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000527234566 387544340 /nfs/dbraw/zinc/54/43/40/387544340.db2.gz BCYASBGWVAGRRV-IUCAKERBSA-N 1 2 203.257 0.570 20 0 BCADLO C[C@H]1C[N@@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000527234566 387544344 /nfs/dbraw/zinc/54/43/44/387544344.db2.gz BCYASBGWVAGRRV-IUCAKERBSA-N 1 2 203.257 0.570 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccncn1 ZINC000397039077 387531732 /nfs/dbraw/zinc/53/17/32/387531732.db2.gz IHNJUYQDNINKOX-UHFFFAOYSA-N 1 2 217.232 0.172 20 0 BCADLO CO[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000361778647 387533566 /nfs/dbraw/zinc/53/35/66/387533566.db2.gz HREQVSHCJYDUGB-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1CCO ZINC000310188158 387536223 /nfs/dbraw/zinc/53/62/23/387536223.db2.gz ZCQAGWJUCWAFIG-NSHDSACASA-N 1 2 237.303 0.647 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1CCO ZINC000310188156 387536744 /nfs/dbraw/zinc/53/67/44/387536744.db2.gz ZCQAGWJUCWAFIG-LLVKDONJSA-N 1 2 237.303 0.647 20 0 BCADLO CC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192809218 387538165 /nfs/dbraw/zinc/53/81/65/387538165.db2.gz QPBUPRUGNSHLEE-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO CC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192809218 387538170 /nfs/dbraw/zinc/53/81/70/387538170.db2.gz QPBUPRUGNSHLEE-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO Cn1cccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375421223 387539164 /nfs/dbraw/zinc/53/91/64/387539164.db2.gz DWBZJAXNQBRXOH-SECBINFHSA-N 1 2 243.257 0.639 20 0 BCADLO CC[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192809229 387539192 /nfs/dbraw/zinc/53/91/92/387539192.db2.gz QPBUPRUGNSHLEE-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CC[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192809229 387539197 /nfs/dbraw/zinc/53/91/97/387539197.db2.gz QPBUPRUGNSHLEE-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2cn[nH]n2)c[nH+]1 ZINC000397119596 387541269 /nfs/dbraw/zinc/54/12/69/387541269.db2.gz ZQZCVFSJYQVYPH-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151129376 387463349 /nfs/dbraw/zinc/46/33/49/387463349.db2.gz XXJNCOFVMGUKJK-SNVBAGLBSA-N 1 2 242.300 0.494 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](O)C1 ZINC000248907714 387467648 /nfs/dbraw/zinc/46/76/48/387467648.db2.gz WYTMWYGNUPWOMV-WCBMZHEXSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](O)C1 ZINC000248907714 387467652 /nfs/dbraw/zinc/46/76/52/387467652.db2.gz WYTMWYGNUPWOMV-WCBMZHEXSA-N 1 2 237.307 0.526 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H](C)O)n1C1CC1 ZINC000304366970 387470782 /nfs/dbraw/zinc/47/07/82/387470782.db2.gz ZAMNRIDUEXWWEL-QMMMGPOBSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H](C)O)n1C1CC1 ZINC000304366970 387470787 /nfs/dbraw/zinc/47/07/87/387470787.db2.gz ZAMNRIDUEXWWEL-QMMMGPOBSA-N 1 2 224.308 0.734 20 0 BCADLO COC[C@@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000355064886 387471724 /nfs/dbraw/zinc/47/17/24/387471724.db2.gz XVQMSNAZIXKXTF-VQXHTEKXSA-N 1 2 245.319 0.722 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(C)C)CC2 ZINC000374641511 387476031 /nfs/dbraw/zinc/47/60/31/387476031.db2.gz APQDKACZTXDCSR-SNVBAGLBSA-N 1 2 236.319 0.484 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCCO1)CC2 ZINC000374664250 387476174 /nfs/dbraw/zinc/47/61/74/387476174.db2.gz ODICISXDOJZSPF-SNVBAGLBSA-N 1 2 235.287 0.713 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000361514036 387477239 /nfs/dbraw/zinc/47/72/39/387477239.db2.gz JTRSSSHDLUQYDJ-ZETCQYMHSA-N 1 2 210.281 0.495 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000361514036 387477241 /nfs/dbraw/zinc/47/72/41/387477241.db2.gz JTRSSSHDLUQYDJ-ZETCQYMHSA-N 1 2 210.281 0.495 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccnn1C)CC2 ZINC000374660975 387477372 /nfs/dbraw/zinc/47/73/72/387477372.db2.gz GUDYEFAPNIDBJI-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO Cc1noc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000374699205 387482095 /nfs/dbraw/zinc/48/20/95/387482095.db2.gz LBLMXDXIORVIEB-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO Cc1noc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000374699205 387482098 /nfs/dbraw/zinc/48/20/98/387482098.db2.gz LBLMXDXIORVIEB-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCOC1)CC2 ZINC000374695972 387482662 /nfs/dbraw/zinc/48/26/62/387482662.db2.gz IAIMMCYPVTWURG-JTQLQIEISA-N 1 2 235.287 0.570 20 0 BCADLO Cc1c[nH]cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1=O ZINC000514679238 387542332 /nfs/dbraw/zinc/54/23/32/387542332.db2.gz JUIAWKNKGVBIRF-MRVPVSSYSA-N 1 2 246.270 0.897 20 0 BCADLO Cc1cc(CNC(=O)c2nnc[nH]2)cc(C)[nH+]1 ZINC000421913123 387486897 /nfs/dbraw/zinc/48/68/97/387486897.db2.gz DXSPGGXVJHIFLL-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)N(C)C)CC2 ZINC000374766582 387490668 /nfs/dbraw/zinc/49/06/68/387490668.db2.gz NARNBDYFAKLFSR-UHFFFAOYSA-N 1 2 208.265 0.689 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)C[C@@H](C)OC ZINC000361558777 387490885 /nfs/dbraw/zinc/49/08/85/387490885.db2.gz KAIRGENSLDQAEW-SECBINFHSA-N 1 2 239.323 0.865 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)C[C@@H](C)OC ZINC000361558777 387490887 /nfs/dbraw/zinc/49/08/87/387490887.db2.gz KAIRGENSLDQAEW-SECBINFHSA-N 1 2 239.323 0.865 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000516311052 387491665 /nfs/dbraw/zinc/49/16/65/387491665.db2.gz RHKMRRWQOCSQNA-JGVFFNPUSA-N 1 2 249.270 0.540 20 0 BCADLO CC(C)n1cc(C(=O)N2CC[NH+](C)CC2)nn1 ZINC000429926707 387599979 /nfs/dbraw/zinc/59/99/79/387599979.db2.gz OUKZNOBTIJMTFU-UHFFFAOYSA-N 1 2 237.307 0.247 20 0 BCADLO CC(C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356123672 387618971 /nfs/dbraw/zinc/61/89/71/387618971.db2.gz IVFHTRAAEYLBAL-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356123672 387618973 /nfs/dbraw/zinc/61/89/73/387618973.db2.gz IVFHTRAAEYLBAL-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)CC(F)F)c[nH+]1 ZINC000430518226 387623401 /nfs/dbraw/zinc/62/34/01/387623401.db2.gz KYNWUWWFOMALIW-LURJTMIESA-N 1 2 233.218 0.464 20 0 BCADLO CCc1cnc(CNC(=O)Cc2c[nH+]cn2C)o1 ZINC000527256095 387551108 /nfs/dbraw/zinc/55/11/08/387551108.db2.gz SFYWACNDMYACKU-UHFFFAOYSA-N 1 2 248.286 0.829 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC(O)C1 ZINC000305107329 387554216 /nfs/dbraw/zinc/55/42/16/387554216.db2.gz DMEJLYKWPFQXNS-UHFFFAOYSA-N 1 2 243.266 0.689 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000426315830 387554786 /nfs/dbraw/zinc/55/47/86/387554786.db2.gz YNOMAAISGGMEFY-VIFPVBQESA-N 1 2 244.360 0.471 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000426315830 387554792 /nfs/dbraw/zinc/55/47/92/387554792.db2.gz YNOMAAISGGMEFY-VIFPVBQESA-N 1 2 244.360 0.471 20 0 BCADLO CCN(CC(N)=O)Cc1cc(OC)cc[nH+]1 ZINC000355629880 387558514 /nfs/dbraw/zinc/55/85/14/387558514.db2.gz ARCBVPWLMWAORA-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(OC)ccn1 ZINC000355629880 387558517 /nfs/dbraw/zinc/55/85/17/387558517.db2.gz ARCBVPWLMWAORA-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(OC)ccn1 ZINC000355629880 387558520 /nfs/dbraw/zinc/55/85/20/387558520.db2.gz ARCBVPWLMWAORA-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CO[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000054852507 387565983 /nfs/dbraw/zinc/56/59/83/387565983.db2.gz WTKMFVNBWIACPQ-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1CCC(C)(C)O ZINC000362069447 387566597 /nfs/dbraw/zinc/56/65/97/387566597.db2.gz FGVJVNANKLWOGG-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(C)(C)O ZINC000362069447 387566600 /nfs/dbraw/zinc/56/66/00/387566600.db2.gz FGVJVNANKLWOGG-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO CCOCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362073093 387566617 /nfs/dbraw/zinc/56/66/17/387566617.db2.gz UEKQEGACSSFJFL-NXEZZACHSA-N 1 2 219.350 0.864 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362092787 387570553 /nfs/dbraw/zinc/57/05/53/387570553.db2.gz BGQRIBLNTOOLNP-VXNVDRBHSA-N 1 2 211.265 0.438 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362092787 387570558 /nfs/dbraw/zinc/57/05/58/387570558.db2.gz BGQRIBLNTOOLNP-VXNVDRBHSA-N 1 2 211.265 0.438 20 0 BCADLO O=C(C(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375729652 387575392 /nfs/dbraw/zinc/57/53/92/387575392.db2.gz GGHIVMQMVTVHKS-MRVPVSSYSA-N 1 2 234.246 0.185 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)ccn1 ZINC000527536365 387630718 /nfs/dbraw/zinc/63/07/18/387630718.db2.gz WXEQGEXDDFMCDQ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)ccn1 ZINC000527536365 387630722 /nfs/dbraw/zinc/63/07/22/387630722.db2.gz WXEQGEXDDFMCDQ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](CCO)C1CC1 ZINC000305721819 387635533 /nfs/dbraw/zinc/63/55/33/387635533.db2.gz INTUUZPAMISHEJ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](CCO)C1CC1 ZINC000305721819 387635537 /nfs/dbraw/zinc/63/55/37/387635537.db2.gz INTUUZPAMISHEJ-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356337940 387645598 /nfs/dbraw/zinc/64/55/98/387645598.db2.gz KMCYNTDLYASVEA-KXNHARMFSA-N 1 2 249.314 0.813 20 0 BCADLO Cn1nccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305788321 387652360 /nfs/dbraw/zinc/65/23/60/387652360.db2.gz YZHLSNBYSOIBSH-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO Cn1nccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305788321 387652365 /nfs/dbraw/zinc/65/23/65/387652365.db2.gz YZHLSNBYSOIBSH-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)C(F)(F)F ZINC000305782819 387652828 /nfs/dbraw/zinc/65/28/28/387652828.db2.gz VSLJKEDISUESDY-LURJTMIESA-N 1 2 223.198 0.765 20 0 BCADLO CC[C@@H](CCO)NC(=O)CCc1c[nH+]cn1C ZINC000356395363 387654337 /nfs/dbraw/zinc/65/43/37/387654337.db2.gz ODVQXZJHLIYHSK-JTQLQIEISA-N 1 2 239.319 0.630 20 0 BCADLO COCc1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000305832076 387659517 /nfs/dbraw/zinc/65/95/17/387659517.db2.gz DWDNVKHVARHPFO-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000305832076 387659522 /nfs/dbraw/zinc/65/95/22/387659522.db2.gz DWDNVKHVARHPFO-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000305839066 387661112 /nfs/dbraw/zinc/66/11/12/387661112.db2.gz QREHWOQQKNGUES-UHFFFAOYSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000305839066 387661115 /nfs/dbraw/zinc/66/11/15/387661115.db2.gz QREHWOQQKNGUES-UHFFFAOYSA-N 1 2 227.264 0.173 20 0 BCADLO CC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000305870841 387664864 /nfs/dbraw/zinc/66/48/64/387664864.db2.gz OKNMXMBLLCJCAJ-NEPJUHHUSA-N 1 2 242.363 0.805 20 0 BCADLO CCN(CCCO)C(=O)CCc1c[nH+]cn1C ZINC000356529608 387669762 /nfs/dbraw/zinc/66/97/62/387669762.db2.gz HIGHHCGCDAHKIJ-UHFFFAOYSA-N 1 2 239.319 0.584 20 0 BCADLO OCC[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000440706696 387673850 /nfs/dbraw/zinc/67/38/50/387673850.db2.gz USANWNFKYZPTDR-UHFFFAOYSA-N 1 2 228.271 0.204 20 0 BCADLO OCC[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000440706696 387673855 /nfs/dbraw/zinc/67/38/55/387673855.db2.gz USANWNFKYZPTDR-UHFFFAOYSA-N 1 2 228.271 0.204 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CCOC1 ZINC000440705931 387674667 /nfs/dbraw/zinc/67/46/67/387674667.db2.gz QKVYNCGQVVWVIY-VIFPVBQESA-N 1 2 228.271 0.468 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CCOC1 ZINC000440705931 387674671 /nfs/dbraw/zinc/67/46/71/387674671.db2.gz QKVYNCGQVVWVIY-VIFPVBQESA-N 1 2 228.271 0.468 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000126327228 387680305 /nfs/dbraw/zinc/68/03/05/387680305.db2.gz FKEBTAZDIHCAEK-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000126327228 387680309 /nfs/dbraw/zinc/68/03/09/387680309.db2.gz FKEBTAZDIHCAEK-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CCn1nncc1C[NH2+]Cc1nccnc1OC ZINC000527730130 387680386 /nfs/dbraw/zinc/68/03/86/387680386.db2.gz QOPRFXMINZBEAO-UHFFFAOYSA-N 1 2 248.290 0.386 20 0 BCADLO CCn1ncc(C[NH2+]Cc2conc2C)n1 ZINC000527734463 387681797 /nfs/dbraw/zinc/68/17/97/387681797.db2.gz IKQBVVIRSPBPKO-UHFFFAOYSA-N 1 2 221.264 0.884 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccc(CO)o2)n1 ZINC000527733184 387682853 /nfs/dbraw/zinc/68/28/53/387682853.db2.gz ATEHFSVCEBHLJR-UHFFFAOYSA-N 1 2 236.275 0.673 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)NC[C@@H]1CCCO1 ZINC000363127986 387691232 /nfs/dbraw/zinc/69/12/32/387691232.db2.gz IMTKIBVTERQYHU-NSHDSACASA-N 1 2 242.319 0.004 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)NC[C@@H]1CCCO1 ZINC000363127986 387691236 /nfs/dbraw/zinc/69/12/36/387691236.db2.gz IMTKIBVTERQYHU-NSHDSACASA-N 1 2 242.319 0.004 20 0 BCADLO Cc1cc(N[C@@H]2COCC[C@H]2O)nc[nH+]1 ZINC000631530533 387691520 /nfs/dbraw/zinc/69/15/20/387691520.db2.gz UPINRLVGOZDYTA-RKDXNWHRSA-N 1 2 209.249 0.347 20 0 BCADLO CC[C@](C)(CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000521458157 387744490 /nfs/dbraw/zinc/74/44/90/387744490.db2.gz CZTXKTAMFZLBHW-GFCCVEGCSA-N 1 2 237.303 0.675 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248976317 387745208 /nfs/dbraw/zinc/74/52/08/387745208.db2.gz UOSPRQAIHPULBW-LDYMZIIASA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248976317 387745212 /nfs/dbraw/zinc/74/52/12/387745212.db2.gz UOSPRQAIHPULBW-LDYMZIIASA-N 1 2 243.307 0.071 20 0 BCADLO COc1ccc[nH+]c1N1CCC[C@H](C(N)=O)C1 ZINC000527828043 387749128 /nfs/dbraw/zinc/74/91/28/387749128.db2.gz NXGHJCUNQPUTGW-VIFPVBQESA-N 1 2 235.287 0.792 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)C[C@@H]1CCOC1)C2 ZINC000377775333 387750631 /nfs/dbraw/zinc/75/06/31/387750631.db2.gz FLJZARJNIJHYDL-JTQLQIEISA-N 1 2 249.314 0.731 20 0 BCADLO Cn1c[nH+]cc1CN1CCOC[C@@]12CCOC2 ZINC000441357270 387751283 /nfs/dbraw/zinc/75/12/83/387751283.db2.gz MPXDURDWGLUERJ-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000440779048 387696862 /nfs/dbraw/zinc/69/68/62/387696862.db2.gz FRUQGXLQWZRVDI-QWRGUYRKSA-N 1 2 232.299 0.571 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000440779048 387696864 /nfs/dbraw/zinc/69/68/64/387696864.db2.gz FRUQGXLQWZRVDI-QWRGUYRKSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)O1 ZINC000245962722 387706734 /nfs/dbraw/zinc/70/67/34/387706734.db2.gz DBLRDODMJLUAQB-VWYCJHECSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)O1 ZINC000245962722 387706740 /nfs/dbraw/zinc/70/67/40/387706740.db2.gz DBLRDODMJLUAQB-VWYCJHECSA-N 1 2 242.319 0.001 20 0 BCADLO CCNS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452042220 387711645 /nfs/dbraw/zinc/71/16/45/387711645.db2.gz LKPAORBZROVREY-UHFFFAOYSA-N 1 2 243.332 0.642 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)CCCO ZINC000440965020 387720775 /nfs/dbraw/zinc/72/07/75/387720775.db2.gz RZWYCEZSVPZICE-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)CCCO ZINC000440965020 387720778 /nfs/dbraw/zinc/72/07/78/387720778.db2.gz RZWYCEZSVPZICE-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)[nH]1 ZINC000452067313 387721838 /nfs/dbraw/zinc/72/18/38/387721838.db2.gz IDVKKGFDAXESRQ-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)C[C@H](O)C2)[nH]1 ZINC000452067313 387721840 /nfs/dbraw/zinc/72/18/40/387721840.db2.gz IDVKKGFDAXESRQ-BDAKNGLRSA-N 1 2 224.308 0.570 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452068789 387722953 /nfs/dbraw/zinc/72/29/53/387722953.db2.gz OWCPAHPKOGSDMQ-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452068789 387722956 /nfs/dbraw/zinc/72/29/56/387722956.db2.gz OWCPAHPKOGSDMQ-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1ccnn1C ZINC000431790585 387730076 /nfs/dbraw/zinc/73/00/76/387730076.db2.gz YYECTJPONVTPIF-UHFFFAOYSA-N 1 2 233.275 0.725 20 0 BCADLO CC(C)[C@]1(CO)CC[N@H+](Cc2nnnn2C)C1 ZINC000377643355 387732267 /nfs/dbraw/zinc/73/22/67/387732267.db2.gz CZLRCBKMYYYOEP-LLVKDONJSA-N 1 2 239.323 0.051 20 0 BCADLO CC(C)[C@]1(CO)CC[N@@H+](Cc2nnnn2C)C1 ZINC000377643355 387732277 /nfs/dbraw/zinc/73/22/77/387732277.db2.gz CZLRCBKMYYYOEP-LLVKDONJSA-N 1 2 239.323 0.051 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000431867462 387736204 /nfs/dbraw/zinc/73/62/04/387736204.db2.gz ZLDQFZSJWVZNBT-VIFPVBQESA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000431867462 387736207 /nfs/dbraw/zinc/73/62/07/387736207.db2.gz ZLDQFZSJWVZNBT-VIFPVBQESA-N 1 2 225.292 0.538 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cnns1 ZINC000356882724 387739335 /nfs/dbraw/zinc/73/93/35/387739335.db2.gz PUMQUZIDXGVQTB-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cnns1 ZINC000356882724 387739339 /nfs/dbraw/zinc/73/93/39/387739339.db2.gz PUMQUZIDXGVQTB-HTQZYQBOSA-N 1 2 240.332 0.703 20 0 BCADLO COc1ccc[nH+]c1N1CCn2ncnc2C1 ZINC000527969480 387811900 /nfs/dbraw/zinc/81/19/00/387811900.db2.gz YOISXUKDONQKDV-UHFFFAOYSA-N 1 2 231.259 0.702 20 0 BCADLO COC[C@H]1CN(c2[nH+]cccc2OC)CCO1 ZINC000527905419 387762930 /nfs/dbraw/zinc/76/29/30/387762930.db2.gz PHLIUWSLNLZELU-SNVBAGLBSA-N 1 2 238.287 0.942 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)O)C2 ZINC000378306175 387773946 /nfs/dbraw/zinc/77/39/46/387773946.db2.gz JNMJNYSLWSBNTQ-RKDXNWHRSA-N 1 2 223.276 0.003 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000378342938 387775920 /nfs/dbraw/zinc/77/59/20/387775920.db2.gz QYLBNIBKXAXBBB-SECBINFHSA-N 1 2 222.244 0.916 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000378342938 387775925 /nfs/dbraw/zinc/77/59/25/387775925.db2.gz QYLBNIBKXAXBBB-SECBINFHSA-N 1 2 222.244 0.916 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000378342939 387776444 /nfs/dbraw/zinc/77/64/44/387776444.db2.gz QYLBNIBKXAXBBB-VIFPVBQESA-N 1 2 222.244 0.916 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000378342939 387776453 /nfs/dbraw/zinc/77/64/53/387776453.db2.gz QYLBNIBKXAXBBB-VIFPVBQESA-N 1 2 222.244 0.916 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCC(C)=O ZINC000378487679 387787657 /nfs/dbraw/zinc/78/76/57/387787657.db2.gz JEOJIBKMZWSUDZ-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCC(C)=O ZINC000378487679 387787663 /nfs/dbraw/zinc/78/76/63/387787663.db2.gz JEOJIBKMZWSUDZ-MNOVXSKESA-N 1 2 243.303 0.618 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)NC[C@H]2C1 ZINC000527916844 387788522 /nfs/dbraw/zinc/78/85/22/387788522.db2.gz UOMYQHQDHGAICU-VIFPVBQESA-N 1 2 248.286 0.304 20 0 BCADLO CN(C)c1nc(Cn2cc[nH+]c2)ns1 ZINC000157386017 387792041 /nfs/dbraw/zinc/79/20/41/387792041.db2.gz DWPPGGCDHVQHMC-UHFFFAOYSA-N 1 2 209.278 0.849 20 0 BCADLO Nc1cccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000051072471 387798662 /nfs/dbraw/zinc/79/86/62/387798662.db2.gz UIRKBWVYAHYSGP-UHFFFAOYSA-N 1 2 231.259 0.290 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000193972512 387813177 /nfs/dbraw/zinc/81/31/77/387813177.db2.gz UYMMOSCDLPFHSA-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC(C)(C)C ZINC000193972512 387813180 /nfs/dbraw/zinc/81/31/80/387813180.db2.gz UYMMOSCDLPFHSA-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000432738585 387811434 /nfs/dbraw/zinc/81/14/34/387811434.db2.gz SFUQTUBKSAXGTF-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000432738585 387811438 /nfs/dbraw/zinc/81/14/38/387811438.db2.gz SFUQTUBKSAXGTF-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000356979765 387760366 /nfs/dbraw/zinc/76/03/66/387760366.db2.gz FIACVOVXRJUDBY-RYUDHWBXSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000356979765 387760370 /nfs/dbraw/zinc/76/03/70/387760370.db2.gz FIACVOVXRJUDBY-RYUDHWBXSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@@H]1O ZINC000645844849 387823983 /nfs/dbraw/zinc/82/39/83/387823983.db2.gz QLYAULXPGNYCNJ-WPRPVWTQSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@@H]1O ZINC000645844849 387823986 /nfs/dbraw/zinc/82/39/86/387823986.db2.gz QLYAULXPGNYCNJ-WPRPVWTQSA-N 1 2 236.319 0.505 20 0 BCADLO COc1ccc[nH+]c1N1CC(C)(CO)C1 ZINC000528025609 387829700 /nfs/dbraw/zinc/82/97/00/387829700.db2.gz AANMMHKFHWVPBT-UHFFFAOYSA-N 1 2 208.261 0.909 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000248992513 387832673 /nfs/dbraw/zinc/83/26/73/387832673.db2.gz XIHABCDCYBTQGP-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000248992513 387832677 /nfs/dbraw/zinc/83/26/77/387832677.db2.gz XIHABCDCYBTQGP-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)OC ZINC000050052420 387837287 /nfs/dbraw/zinc/83/72/87/387837287.db2.gz QAZQSMQEOVEDHS-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)OC ZINC000050052420 387837293 /nfs/dbraw/zinc/83/72/93/387837293.db2.gz QAZQSMQEOVEDHS-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000432915623 387841550 /nfs/dbraw/zinc/84/15/50/387841550.db2.gz FVNUXYQFEZJHLZ-MRVPVSSYSA-N 1 2 224.264 0.178 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000432915623 387841557 /nfs/dbraw/zinc/84/15/57/387841557.db2.gz FVNUXYQFEZJHLZ-MRVPVSSYSA-N 1 2 224.264 0.178 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424162422 387844538 /nfs/dbraw/zinc/84/45/38/387844538.db2.gz CRRSPVWAMKVUGG-YUMQZZPRSA-N 1 2 236.262 0.382 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744360 387845168 /nfs/dbraw/zinc/84/51/68/387845168.db2.gz HNMYXDVZNSBDNQ-PHIMTYICSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744360 387845170 /nfs/dbraw/zinc/84/51/70/387845170.db2.gz HNMYXDVZNSBDNQ-PHIMTYICSA-N 1 2 228.336 0.962 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000061785266 387847856 /nfs/dbraw/zinc/84/78/56/387847856.db2.gz CDLVFZFXNANKBP-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000061785266 387847862 /nfs/dbraw/zinc/84/78/62/387847862.db2.gz CDLVFZFXNANKBP-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO C[C@H](C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000062066020 387850496 /nfs/dbraw/zinc/85/04/96/387850496.db2.gz DJCOIZWEBLGZCI-JTQLQIEISA-N 1 2 226.320 0.481 20 0 BCADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cnn(C)c1 ZINC000433034590 387854350 /nfs/dbraw/zinc/85/43/50/387854350.db2.gz ZAOCMBJNYLGQJE-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cnn(C)c1 ZINC000433034590 387854354 /nfs/dbraw/zinc/85/43/54/387854354.db2.gz ZAOCMBJNYLGQJE-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nccc(C)n1 ZINC000452572221 387861621 /nfs/dbraw/zinc/86/16/21/387861621.db2.gz SEVITMQZMUVEII-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO COCCOCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193667120 387862014 /nfs/dbraw/zinc/86/20/14/387862014.db2.gz MHQBGYPHOGGQMC-LBPRGKRZSA-N 1 2 245.319 0.141 20 0 BCADLO COCCOCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193667120 387862018 /nfs/dbraw/zinc/86/20/18/387862018.db2.gz MHQBGYPHOGGQMC-LBPRGKRZSA-N 1 2 245.319 0.141 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)C(N)=O ZINC000194034400 387870700 /nfs/dbraw/zinc/87/07/00/387870700.db2.gz OWRVNGPPTNVKNK-UHFFFAOYSA-N 1 2 248.290 0.287 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCN(C)C(=O)C2)cn1 ZINC000194838406 387896924 /nfs/dbraw/zinc/89/69/24/387896924.db2.gz VEPRUQAKGBYQES-UHFFFAOYSA-N 1 2 234.303 0.648 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCN(C)C(=O)C2)cn1 ZINC000194838406 387896927 /nfs/dbraw/zinc/89/69/27/387896927.db2.gz VEPRUQAKGBYQES-UHFFFAOYSA-N 1 2 234.303 0.648 20 0 BCADLO CS[C@H](CO)[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000152474331 387885169 /nfs/dbraw/zinc/88/51/69/387885169.db2.gz ZMCIIITTXZZAMT-WCBMZHEXSA-N 1 2 229.349 0.920 20 0 BCADLO COc1ncnc2c1C[N@H+](C[C@@H](C)O)CC2 ZINC000194952459 387899644 /nfs/dbraw/zinc/89/96/44/387899644.db2.gz VCQZMTDPSAUHNU-MRVPVSSYSA-N 1 2 223.276 0.224 20 0 BCADLO COc1ncnc2c1C[N@@H+](C[C@@H](C)O)CC2 ZINC000194952459 387899647 /nfs/dbraw/zinc/89/96/47/387899647.db2.gz VCQZMTDPSAUHNU-MRVPVSSYSA-N 1 2 223.276 0.224 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(CO)ccc1F ZINC000528354410 387908256 /nfs/dbraw/zinc/90/82/56/387908256.db2.gz XQEGXHQAEXLRLB-UHFFFAOYSA-N 1 2 240.278 0.496 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528354410 387908261 /nfs/dbraw/zinc/90/82/61/387908261.db2.gz XQEGXHQAEXLRLB-UHFFFAOYSA-N 1 2 240.278 0.496 20 0 BCADLO COc1ccnc(C[NH2+]Cc2cnn(C)c2C)n1 ZINC000424189567 387913472 /nfs/dbraw/zinc/91/34/72/387913472.db2.gz MNDWHWRGWDSMNV-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO Cn1cncc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177124958 387915211 /nfs/dbraw/zinc/91/52/11/387915211.db2.gz MPOUARDWBPQCIA-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cncc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177124958 387915216 /nfs/dbraw/zinc/91/52/16/387915216.db2.gz MPOUARDWBPQCIA-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccs1 ZINC000163742853 387935750 /nfs/dbraw/zinc/93/57/50/387935750.db2.gz ORYWWUSGILEQET-PSASIEDQSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccs1 ZINC000163742853 387935752 /nfs/dbraw/zinc/93/57/52/387935752.db2.gz ORYWWUSGILEQET-PSASIEDQSA-N 1 2 241.312 0.856 20 0 BCADLO O=C(Nc1cnn(C(F)F)c1)[C@H]1COCC[NH2+]1 ZINC000424196118 387921919 /nfs/dbraw/zinc/92/19/19/387921919.db2.gz UUEZUVRAWLBVGH-SSDOTTSWSA-N 1 2 246.217 0.205 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)C(C)(C)CO ZINC000645805550 387949411 /nfs/dbraw/zinc/94/94/11/387949411.db2.gz VUZBIEMRIXSIMR-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)C(C)(C)CO ZINC000645805550 387949415 /nfs/dbraw/zinc/94/94/15/387949415.db2.gz VUZBIEMRIXSIMR-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@H]2N1 ZINC000245557234 387960296 /nfs/dbraw/zinc/96/02/96/387960296.db2.gz JPAFGDZNAWRGDR-GHMZBOCLSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)[C@@H]2CCCC[C@H]2N1 ZINC000245557234 387960298 /nfs/dbraw/zinc/96/02/98/387960298.db2.gz JPAFGDZNAWRGDR-GHMZBOCLSA-N 1 2 234.303 0.653 20 0 BCADLO Cn1c[nH+]cc1Cn1ncc2c1C[C@H](O)CC2 ZINC000438914613 387962426 /nfs/dbraw/zinc/96/24/26/387962426.db2.gz VECLILZWFPWDFE-LLVKDONJSA-N 1 2 232.287 0.515 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245564707 387962603 /nfs/dbraw/zinc/96/26/03/387962603.db2.gz QTORFVNONBZZJB-NWDGAFQWSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245564707 387962605 /nfs/dbraw/zinc/96/26/05/387962605.db2.gz QTORFVNONBZZJB-NWDGAFQWSA-N 1 2 248.330 0.961 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248023161 135002121 /nfs/dbraw/zinc/00/21/21/135002121.db2.gz VMWKCRDRNLEBTO-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000248023161 135002122 /nfs/dbraw/zinc/00/21/22/135002122.db2.gz VMWKCRDRNLEBTO-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000245681130 387970730 /nfs/dbraw/zinc/97/07/30/387970730.db2.gz KLKGRLYTAPNDGA-KOLCDFICSA-N 1 2 234.303 0.478 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000245681130 387970733 /nfs/dbraw/zinc/97/07/33/387970733.db2.gz KLKGRLYTAPNDGA-KOLCDFICSA-N 1 2 234.303 0.478 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645808019 387957163 /nfs/dbraw/zinc/95/71/63/387957163.db2.gz ILBDUSPZAURRQK-QMMMGPOBSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645808019 387957165 /nfs/dbraw/zinc/95/71/65/387957165.db2.gz ILBDUSPZAURRQK-QMMMGPOBSA-N 1 2 224.308 0.505 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2ncsc2C1 ZINC000445847781 387975567 /nfs/dbraw/zinc/97/55/67/387975567.db2.gz SNTXJUNNSKAHCO-MRVPVSSYSA-N 1 2 225.317 0.765 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2ncsc2C1 ZINC000445847781 387975569 /nfs/dbraw/zinc/97/55/69/387975569.db2.gz SNTXJUNNSKAHCO-MRVPVSSYSA-N 1 2 225.317 0.765 20 0 BCADLO COCc1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000439274715 387988895 /nfs/dbraw/zinc/98/88/95/387988895.db2.gz MCZGBKGOSMXYFK-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000439274715 387988899 /nfs/dbraw/zinc/98/88/99/387988899.db2.gz MCZGBKGOSMXYFK-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCc2ncsc2C1 ZINC000446069278 387992836 /nfs/dbraw/zinc/99/28/36/387992836.db2.gz HOZYROCUUMNNGA-SECBINFHSA-N 1 2 237.328 0.780 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCc2ncsc2C1 ZINC000446069278 387992840 /nfs/dbraw/zinc/99/28/40/387992840.db2.gz HOZYROCUUMNNGA-SECBINFHSA-N 1 2 237.328 0.780 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC[C@H](O)C1 ZINC000439425620 387998144 /nfs/dbraw/zinc/99/81/44/387998144.db2.gz WZLVHKXUBYBYSN-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO COC(=O)c1sc([C@H]2COCC[NH2+]2)nc1C ZINC000446145125 388003690 /nfs/dbraw/zinc/00/36/90/388003690.db2.gz FMDBVALZTYEJPD-SSDOTTSWSA-N 1 2 242.300 0.899 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H](O)C1 ZINC000439533083 388007145 /nfs/dbraw/zinc/00/71/45/388007145.db2.gz XSLRYEMYISBIHU-ZJUUUORDSA-N 1 2 237.303 0.620 20 0 BCADLO CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439905339 388025723 /nfs/dbraw/zinc/02/57/23/388025723.db2.gz UAWNVRVUGYJYFP-VIFPVBQESA-N 1 2 207.277 0.924 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249129257 388013361 /nfs/dbraw/zinc/01/33/61/388013361.db2.gz KQHFLGNRRWOTQP-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249129257 388013364 /nfs/dbraw/zinc/01/33/64/388013364.db2.gz KQHFLGNRRWOTQP-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO C[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082262868 388019495 /nfs/dbraw/zinc/01/94/95/388019495.db2.gz FPKMDVIYNABWGG-SNVBAGLBSA-N 1 2 245.282 0.983 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)nc(C)n1 ZINC000082303445 388026315 /nfs/dbraw/zinc/02/63/15/388026315.db2.gz GIZKJUZJRABTCD-UHFFFAOYSA-N 1 2 234.303 0.481 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000082303200 388026560 /nfs/dbraw/zinc/02/65/60/388026560.db2.gz PJKBMAGIFDBGBD-JTQLQIEISA-N 1 2 244.360 0.188 20 0 BCADLO COCC[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000440521222 388051016 /nfs/dbraw/zinc/05/10/16/388051016.db2.gz ZQZLIFFCHWFZLS-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO COCC[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000440521222 388051021 /nfs/dbraw/zinc/05/10/21/388051021.db2.gz ZQZLIFFCHWFZLS-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO Cc1nc(N(C)CCCO)nc(N(C)C)[nH+]1 ZINC000440540656 388052227 /nfs/dbraw/zinc/05/22/27/388052227.db2.gz OIVXYFJZFHSSLV-UHFFFAOYSA-N 1 2 225.296 0.065 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CCCO)[nH+]1 ZINC000440540656 388052230 /nfs/dbraw/zinc/05/22/30/388052230.db2.gz OIVXYFJZFHSSLV-UHFFFAOYSA-N 1 2 225.296 0.065 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000440530053 388053330 /nfs/dbraw/zinc/05/33/30/388053330.db2.gz ZLGLDERTIOSAQD-QWRGUYRKSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000440530053 388053333 /nfs/dbraw/zinc/05/33/33/388053333.db2.gz ZLGLDERTIOSAQD-QWRGUYRKSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(CCOC)CC1 ZINC000440707139 388064463 /nfs/dbraw/zinc/06/44/63/388064463.db2.gz WTKYGFHUJARZMJ-LLVKDONJSA-N 1 2 218.316 0.999 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](CO)O1 ZINC000230009413 388069816 /nfs/dbraw/zinc/06/98/16/388069816.db2.gz PGGLEWPUUXXOND-ZJUUUORDSA-N 1 2 225.292 0.002 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCS1 ZINC000084081690 388070209 /nfs/dbraw/zinc/07/02/09/388070209.db2.gz WOULPEHVUHZOBU-MRVPVSSYSA-N 1 2 211.290 0.922 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCS1 ZINC000084081690 388070213 /nfs/dbraw/zinc/07/02/13/388070213.db2.gz WOULPEHVUHZOBU-MRVPVSSYSA-N 1 2 211.290 0.922 20 0 BCADLO CC[N@H+](CC(=O)OC)CC1(CC(=O)OC)CC1 ZINC000440703769 388071485 /nfs/dbraw/zinc/07/14/85/388071485.db2.gz NHBOSCZUQSROAF-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CC[N@@H+](CC(=O)OC)CC1(CC(=O)OC)CC1 ZINC000440703769 388071487 /nfs/dbraw/zinc/07/14/87/388071487.db2.gz NHBOSCZUQSROAF-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000645898714 388076577 /nfs/dbraw/zinc/07/65/77/388076577.db2.gz FQARFQQOYDNVRW-NSHDSACASA-N 1 2 247.314 0.100 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000645898714 388076579 /nfs/dbraw/zinc/07/65/79/388076579.db2.gz FQARFQQOYDNVRW-NSHDSACASA-N 1 2 247.314 0.100 20 0 BCADLO CC1(C)C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000447795758 388092501 /nfs/dbraw/zinc/09/25/01/388092501.db2.gz QBSAINLWXYUEQB-SECBINFHSA-N 1 2 236.319 0.885 20 0 BCADLO CC1(C)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000447795758 388092504 /nfs/dbraw/zinc/09/25/04/388092504.db2.gz QBSAINLWXYUEQB-SECBINFHSA-N 1 2 236.319 0.885 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447827040 388095645 /nfs/dbraw/zinc/09/56/45/388095645.db2.gz ANDGLHLKDMNQEL-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447827040 388095647 /nfs/dbraw/zinc/09/56/47/388095647.db2.gz ANDGLHLKDMNQEL-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000170771693 388100499 /nfs/dbraw/zinc/10/04/99/388100499.db2.gz SVNPEMJQXFWHLA-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@H](C)C2)o1 ZINC000170771693 388100502 /nfs/dbraw/zinc/10/05/02/388100502.db2.gz SVNPEMJQXFWHLA-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000440495026 388044857 /nfs/dbraw/zinc/04/48/57/388044857.db2.gz KQLYTSDRDSDLJB-AEJSXWLSSA-N 1 2 233.283 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000440495026 388044861 /nfs/dbraw/zinc/04/48/61/388044861.db2.gz KQLYTSDRDSDLJB-AEJSXWLSSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)CC(N)=O)C(C)C ZINC000453319757 388045139 /nfs/dbraw/zinc/04/51/39/388045139.db2.gz NQRMLKDRSGVAMQ-KOLCDFICSA-N 1 2 244.335 0.816 20 0 BCADLO Cn1nnc(C[N@H+](CC2CC2)C2CCC2)n1 ZINC000440502702 388045363 /nfs/dbraw/zinc/04/53/63/388045363.db2.gz HCODCGRUKYVVNL-UHFFFAOYSA-N 1 2 221.308 0.975 20 0 BCADLO Cn1nnc(C[N@@H+](CC2CC2)C2CCC2)n1 ZINC000440502702 388045368 /nfs/dbraw/zinc/04/53/68/388045368.db2.gz HCODCGRUKYVVNL-UHFFFAOYSA-N 1 2 221.308 0.975 20 0 BCADLO COC(=O)CC1(C[N@H+](C)[C@@H](C)C(=O)OC)CC1 ZINC000440507316 388046543 /nfs/dbraw/zinc/04/65/43/388046543.db2.gz AIPMBENEOWFCIR-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)CC1(C[N@@H+](C)[C@@H](C)C(=O)OC)CC1 ZINC000440507316 388046546 /nfs/dbraw/zinc/04/65/46/388046546.db2.gz AIPMBENEOWFCIR-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO Cn1nnc(C[N@@H+]2CCCC3(CCC3)C2)n1 ZINC000440504956 388047232 /nfs/dbraw/zinc/04/72/32/388047232.db2.gz ALKPIHQPTKHWSQ-UHFFFAOYSA-N 1 2 221.308 0.976 20 0 BCADLO Cn1nnc(C[N@H+]2CCCC3(CCC3)C2)n1 ZINC000440504956 388047236 /nfs/dbraw/zinc/04/72/36/388047236.db2.gz ALKPIHQPTKHWSQ-UHFFFAOYSA-N 1 2 221.308 0.976 20 0 BCADLO CCOC[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000447014641 388048226 /nfs/dbraw/zinc/04/82/26/388048226.db2.gz DBZGVFIJAGKOEF-MRVPVSSYSA-N 1 2 239.262 0.350 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1CC(F)(F)C1 ZINC000440516759 388049373 /nfs/dbraw/zinc/04/93/73/388049373.db2.gz UPPGOPAZHWIVBL-UHFFFAOYSA-N 1 2 248.273 0.480 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](CO)C2)n1C ZINC000172421285 388159504 /nfs/dbraw/zinc/15/95/04/388159504.db2.gz GFSZQYIPCIBMFL-JTQLQIEISA-N 1 2 238.335 0.582 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](CO)C2)n1C ZINC000172421285 388159506 /nfs/dbraw/zinc/15/95/06/388159506.db2.gz GFSZQYIPCIBMFL-JTQLQIEISA-N 1 2 238.335 0.582 20 0 BCADLO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171424 388159653 /nfs/dbraw/zinc/15/96/53/388159653.db2.gz JBMKJZKIKOCGQR-CBAPKCEASA-N 1 2 245.286 0.894 20 0 BCADLO CC[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000488566954 388187727 /nfs/dbraw/zinc/18/77/27/388187727.db2.gz VPQLLZCUAMJROJ-SSDOTTSWSA-N 1 2 209.236 0.723 20 0 BCADLO Cc1nocc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000646201906 388163653 /nfs/dbraw/zinc/16/36/53/388163653.db2.gz AHZQBKYGPWFZCL-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nocc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000646201906 388163654 /nfs/dbraw/zinc/16/36/54/388163654.db2.gz AHZQBKYGPWFZCL-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)no1 ZINC000646257713 388171723 /nfs/dbraw/zinc/17/17/23/388171723.db2.gz FDVPNUJYIRSREG-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000646257713 388171725 /nfs/dbraw/zinc/17/17/25/388171725.db2.gz FDVPNUJYIRSREG-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO CCn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cn1 ZINC000646258193 388172004 /nfs/dbraw/zinc/17/20/04/388172004.db2.gz JHBUSOHDEDEJTG-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000646258193 388172005 /nfs/dbraw/zinc/17/20/05/388172005.db2.gz JHBUSOHDEDEJTG-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO Cc1ocnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257822 388172106 /nfs/dbraw/zinc/17/21/06/388172106.db2.gz KYVSAEUBBUANNU-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1ocnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257822 388172108 /nfs/dbraw/zinc/17/21/08/388172108.db2.gz KYVSAEUBBUANNU-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO CSCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202815 388184859 /nfs/dbraw/zinc/18/48/59/388184859.db2.gz DRLAMOZKMFPCNO-AOOOYVTPSA-N 1 2 244.360 0.329 20 0 BCADLO CSCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202815 388184862 /nfs/dbraw/zinc/18/48/62/388184862.db2.gz DRLAMOZKMFPCNO-AOOOYVTPSA-N 1 2 244.360 0.329 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171011106 388116830 /nfs/dbraw/zinc/11/68/30/388116830.db2.gz XXMKUZPYNIOEEN-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171011106 388116832 /nfs/dbraw/zinc/11/68/32/388116832.db2.gz XXMKUZPYNIOEEN-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000454443402 388118202 /nfs/dbraw/zinc/11/82/02/388118202.db2.gz RHCAUGJCTRICAU-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000454443402 388118203 /nfs/dbraw/zinc/11/82/03/388118203.db2.gz RHCAUGJCTRICAU-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC1(F)F ZINC000448906018 388119415 /nfs/dbraw/zinc/11/94/15/388119415.db2.gz DQUPCXCDLYRDJM-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC1(F)F ZINC000448906018 388119417 /nfs/dbraw/zinc/11/94/17/388119417.db2.gz DQUPCXCDLYRDJM-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC000171402162 388124752 /nfs/dbraw/zinc/12/47/52/388124752.db2.gz AIHVKAYCMXHOGF-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC000171402162 388124755 /nfs/dbraw/zinc/12/47/55/388124755.db2.gz AIHVKAYCMXHOGF-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000646042297 388130601 /nfs/dbraw/zinc/13/06/01/388130601.db2.gz BRYSQUYCKXKPAD-FTLITQJKSA-N 1 2 227.264 0.442 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000164089874 388149675 /nfs/dbraw/zinc/14/96/75/388149675.db2.gz VFLYDWFLCOOFPB-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO OC[C@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641529163 388151346 /nfs/dbraw/zinc/15/13/46/388151346.db2.gz YSPADCXPCPLMCF-KCJUWKMLSA-N 1 2 226.251 0.400 20 0 BCADLO C[C@H](CF)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000490731471 388249999 /nfs/dbraw/zinc/24/99/99/388249999.db2.gz ORJKHZXPPGCFGH-SCZZXKLOSA-N 1 2 242.298 0.497 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936198 388252604 /nfs/dbraw/zinc/25/26/04/388252604.db2.gz KOENONUEPJFJEK-VIFPVBQESA-N 1 2 247.289 0.100 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936198 388252605 /nfs/dbraw/zinc/25/26/05/388252605.db2.gz KOENONUEPJFJEK-VIFPVBQESA-N 1 2 247.289 0.100 20 0 BCADLO COCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490795931 388254812 /nfs/dbraw/zinc/25/48/12/388254812.db2.gz LMAPBVSXKNPRSL-VIFPVBQESA-N 1 2 238.291 0.144 20 0 BCADLO CCCN(CC(N)=O)c1cc(C)[nH+]cn1 ZINC000488746659 388193138 /nfs/dbraw/zinc/19/31/38/388193138.db2.gz HFRLTFVKXSHXLZ-UHFFFAOYSA-N 1 2 208.265 0.487 20 0 BCADLO CC[N@H+](Cc1cnc2cnccn12)C1COC1 ZINC000449427326 388202654 /nfs/dbraw/zinc/20/26/54/388202654.db2.gz RUZDGFIVOZUTJP-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO CC[N@@H+](Cc1cnc2cnccn12)C1COC1 ZINC000449427326 388202655 /nfs/dbraw/zinc/20/26/55/388202655.db2.gz RUZDGFIVOZUTJP-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449519668 388222741 /nfs/dbraw/zinc/22/27/41/388222741.db2.gz CERUHJYNPQMEPM-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449519668 388222744 /nfs/dbraw/zinc/22/27/44/388222744.db2.gz CERUHJYNPQMEPM-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000449525245 388224477 /nfs/dbraw/zinc/22/44/77/388224477.db2.gz QWSMXECSFIFKMF-VIFPVBQESA-N 1 2 235.287 0.416 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000449525245 388224478 /nfs/dbraw/zinc/22/44/78/388224478.db2.gz QWSMXECSFIFKMF-VIFPVBQESA-N 1 2 235.287 0.416 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OCC ZINC000449588128 388238956 /nfs/dbraw/zinc/23/89/56/388238956.db2.gz PQEHDMRAGIMZLA-VHSXEESVSA-N 1 2 243.303 0.871 20 0 BCADLO Cn1nnc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)n1 ZINC000449588931 388239145 /nfs/dbraw/zinc/23/91/45/388239145.db2.gz RGOMQVHFTNYFPR-SECBINFHSA-N 1 2 241.339 0.439 20 0 BCADLO Cn1nnc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)n1 ZINC000449588931 388239147 /nfs/dbraw/zinc/23/91/47/388239147.db2.gz RGOMQVHFTNYFPR-SECBINFHSA-N 1 2 241.339 0.439 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]CCOCCO)C(C)C ZINC000451605003 388283469 /nfs/dbraw/zinc/28/34/69/388283469.db2.gz MDKVXLLAHHEPJR-NSHDSACASA-N 1 2 247.335 0.561 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451638445 388286278 /nfs/dbraw/zinc/28/62/78/388286278.db2.gz GQEQMGZHCSRFBH-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451638445 388286280 /nfs/dbraw/zinc/28/62/80/388286280.db2.gz GQEQMGZHCSRFBH-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780000 388295551 /nfs/dbraw/zinc/29/55/51/388295551.db2.gz MKLYTLKQYMDMRU-VIFPVBQESA-N 1 2 241.339 0.439 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780000 388295552 /nfs/dbraw/zinc/29/55/52/388295552.db2.gz MKLYTLKQYMDMRU-VIFPVBQESA-N 1 2 241.339 0.439 20 0 BCADLO C/C=C/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000491466771 388296529 /nfs/dbraw/zinc/29/65/29/388296529.db2.gz YOAKFZJJKPWHGK-ICWBMWKASA-N 1 2 238.331 0.909 20 0 BCADLO O=C(/C=C\C1CC1)NCCn1cc[nH+]c1 ZINC000491931849 388328472 /nfs/dbraw/zinc/32/84/72/388328472.db2.gz PVRKYCNGXUTFKV-ARJAWSKDSA-N 1 2 205.261 0.966 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/C1CC1 ZINC000491951612 388329468 /nfs/dbraw/zinc/32/94/68/388329468.db2.gz XIBPJBQRNAIWBO-SGUJLRQBSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/C1CC1 ZINC000491951612 388329469 /nfs/dbraw/zinc/32/94/69/388329469.db2.gz XIBPJBQRNAIWBO-SGUJLRQBSA-N 1 2 238.331 0.790 20 0 BCADLO O=C(/C=C/C1CCC1)NCC[NH+]1CCOCC1 ZINC000492064005 388333220 /nfs/dbraw/zinc/33/32/20/388333220.db2.gz BCDJRNBYPGZXIM-SNAWJCMRSA-N 1 2 238.331 0.791 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451439319 388273683 /nfs/dbraw/zinc/27/36/83/388273683.db2.gz NTRNIEBHGTYIGX-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451439319 388273685 /nfs/dbraw/zinc/27/36/85/388273685.db2.gz NTRNIEBHGTYIGX-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H](O)C1 ZINC000492293865 388340672 /nfs/dbraw/zinc/34/06/72/388340672.db2.gz GTPHFEPIGINTPM-HMDXOVGESA-N 1 2 235.287 0.509 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)OC ZINC000492316007 388341128 /nfs/dbraw/zinc/34/11/28/388341128.db2.gz DEMMRAZBYBGQHH-AATRIKPKSA-N 1 2 209.249 0.936 20 0 BCADLO CCCC(=O)NCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000646365855 388346305 /nfs/dbraw/zinc/34/63/05/388346305.db2.gz HVODVRDIWBZITD-MRVPVSSYSA-N 1 2 238.291 0.503 20 0 BCADLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)nn1C ZINC000646383174 388347793 /nfs/dbraw/zinc/34/77/93/388347793.db2.gz QTICGLFZPDHVRK-UHFFFAOYSA-N 1 2 248.290 0.739 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000230015927 388347926 /nfs/dbraw/zinc/34/79/26/388347926.db2.gz KCMYQBKRELZNDT-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000230015931 388348578 /nfs/dbraw/zinc/34/85/78/388348578.db2.gz KCMYQBKRELZNDT-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CO1 ZINC000162240249 388348758 /nfs/dbraw/zinc/34/87/58/388348758.db2.gz YMGNKECIXGORCA-YUMQZZPRSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)no1 ZINC000305197763 388367257 /nfs/dbraw/zinc/36/72/57/388367257.db2.gz UOEDEEFKVHALAI-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)no1 ZINC000305197763 388367259 /nfs/dbraw/zinc/36/72/59/388367259.db2.gz UOEDEEFKVHALAI-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO C[NH+]1CCN(c2ncnc(N)c2Cl)CC1 ZINC000227840362 388371996 /nfs/dbraw/zinc/37/19/96/388371996.db2.gz ZLELLXCCVGDDEQ-UHFFFAOYSA-N 1 2 227.699 0.464 20 0 BCADLO CC[C@H]([NH3+])C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000236971440 388386621 /nfs/dbraw/zinc/38/66/21/388386621.db2.gz FOELDZARYBKJMT-VIFPVBQESA-N 1 2 246.274 0.338 20 0 BCADLO CN(C(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000237060292 388389134 /nfs/dbraw/zinc/38/91/34/388389134.db2.gz GPKFYBPAXBGHRU-UHFFFAOYSA-N 1 2 247.298 0.081 20 0 BCADLO CCOC(=O)NCC(=O)NCc1[nH]c[nH+]c1C ZINC000492174468 388337549 /nfs/dbraw/zinc/33/75/49/388337549.db2.gz WKKQCBSIOKRZSG-UHFFFAOYSA-N 1 2 240.263 0.080 20 0 BCADLO Cc1c(/C=C\C(=O)NCc2[nH]cc[nH+]2)cnn1C ZINC000492261477 388339637 /nfs/dbraw/zinc/33/96/37/388339637.db2.gz FWEQCNGFRPRJBW-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(=O)OC ZINC000492265016 388339970 /nfs/dbraw/zinc/33/99/70/388339970.db2.gz YHRGRQCYWIIDST-PLNGDYQASA-N 1 2 237.259 0.205 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246450788 388443437 /nfs/dbraw/zinc/44/34/37/388443437.db2.gz IXUVOJBWASTMOQ-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246450788 388443439 /nfs/dbraw/zinc/44/34/39/388443439.db2.gz IXUVOJBWASTMOQ-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1CC1 ZINC000308605068 388443670 /nfs/dbraw/zinc/44/36/70/388443670.db2.gz IAJXFTRBHULJDQ-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C)c1cncc(F)c1 ZINC000330834233 388444674 /nfs/dbraw/zinc/44/46/74/388444674.db2.gz ZPLZHAANOIWTRP-ZETCQYMHSA-N 1 2 236.254 0.595 20 0 BCADLO CC(C)(CN1CCOCC1)[NH2+]Cc1ccn[nH]1 ZINC000308636671 388446218 /nfs/dbraw/zinc/44/62/18/388446218.db2.gz NQLWSXGOZDQCDN-UHFFFAOYSA-N 1 2 238.335 0.610 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1 ZINC000170225094 388468593 /nfs/dbraw/zinc/46/85/93/388468593.db2.gz ZXGHBERLDNVBGZ-UHFFFAOYSA-N 1 2 249.314 0.995 20 0 BCADLO CC(=O)CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000573108743 388420629 /nfs/dbraw/zinc/42/06/29/388420629.db2.gz HTKXYDFTQFDWIT-LLVKDONJSA-N 1 2 242.319 0.193 20 0 BCADLO CC(=O)CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000573108743 388420630 /nfs/dbraw/zinc/42/06/30/388420630.db2.gz HTKXYDFTQFDWIT-LLVKDONJSA-N 1 2 242.319 0.193 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cs1 ZINC000352795724 388539055 /nfs/dbraw/zinc/53/90/55/388539055.db2.gz DUOYOUSOLZCCJM-UWVGGRQHSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@@H]2O)cs1 ZINC000352795724 388539057 /nfs/dbraw/zinc/53/90/57/388539057.db2.gz DUOYOUSOLZCCJM-UWVGGRQHSA-N 1 2 228.317 0.643 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548460970 388540741 /nfs/dbraw/zinc/54/07/41/388540741.db2.gz SGLJRDKKUXHJGG-KOLCDFICSA-N 1 2 237.303 0.504 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000528519115 388541059 /nfs/dbraw/zinc/54/10/59/388541059.db2.gz SNBSKMBVFYRVAL-WWQRDVDESA-N 1 2 232.711 0.705 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000528519115 388541061 /nfs/dbraw/zinc/54/10/61/388541061.db2.gz SNBSKMBVFYRVAL-WWQRDVDESA-N 1 2 232.711 0.705 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528517592 388541651 /nfs/dbraw/zinc/54/16/51/388541651.db2.gz AVFNTJKCVNQAED-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528517592 388541653 /nfs/dbraw/zinc/54/16/53/388541653.db2.gz AVFNTJKCVNQAED-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CCC[C@@](C)([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353721178 388543201 /nfs/dbraw/zinc/54/32/01/388543201.db2.gz DUMORPRKCVPEII-LLVKDONJSA-N 1 2 237.307 0.207 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548586416 388547286 /nfs/dbraw/zinc/54/72/86/388547286.db2.gz KIWNOTLVQPWQMN-KOLCDFICSA-N 1 2 239.319 0.486 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCOC1 ZINC000135060585 388482991 /nfs/dbraw/zinc/48/29/91/388482991.db2.gz WMMWZDHSZBIRPP-MRVPVSSYSA-N 1 2 208.265 0.280 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCOC1 ZINC000135060585 388482993 /nfs/dbraw/zinc/48/29/93/388482993.db2.gz WMMWZDHSZBIRPP-MRVPVSSYSA-N 1 2 208.265 0.280 20 0 BCADLO CCC[C@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000547804722 388484655 /nfs/dbraw/zinc/48/46/55/388484655.db2.gz MBLXRTDTGUCMIV-LBPRGKRZSA-N 1 2 239.319 0.630 20 0 BCADLO Cc1cnn(CC[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000342116788 388496883 /nfs/dbraw/zinc/49/68/83/388496883.db2.gz BHVLFKJXXSRXEQ-JTQLQIEISA-N 1 2 234.307 0.671 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC(=O)N(C)C)CCO1 ZINC000135637189 388503990 /nfs/dbraw/zinc/50/39/90/388503990.db2.gz CJGNNVZKJUKIOF-NSHDSACASA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000135637189 388503992 /nfs/dbraw/zinc/50/39/92/388503992.db2.gz CJGNNVZKJUKIOF-NSHDSACASA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000135702715 388505989 /nfs/dbraw/zinc/50/59/89/388505989.db2.gz FWJOYFHNEAFJGH-LBPRGKRZSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000135702715 388505991 /nfs/dbraw/zinc/50/59/91/388505991.db2.gz FWJOYFHNEAFJGH-LBPRGKRZSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ncn(C)n1 ZINC000548075768 388508142 /nfs/dbraw/zinc/50/81/42/388508142.db2.gz ZECODDFFVAVNNV-IUCAKERBSA-N 1 2 237.307 0.087 20 0 BCADLO O=C(COCC1CC1)NCCn1cc[nH+]c1 ZINC000078782751 388513688 /nfs/dbraw/zinc/51/36/88/388513688.db2.gz BATDWOALRJLIJE-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000347317747 388522458 /nfs/dbraw/zinc/52/24/58/388522458.db2.gz UTIZAOMLVQONMK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000347317747 388522461 /nfs/dbraw/zinc/52/24/61/388522461.db2.gz UTIZAOMLVQONMK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000528426590 388523017 /nfs/dbraw/zinc/52/30/17/388523017.db2.gz LUSATAQSXIAZPN-CDETVPHDSA-N 1 2 238.740 0.492 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000528426590 388523018 /nfs/dbraw/zinc/52/30/18/388523018.db2.gz LUSATAQSXIAZPN-CDETVPHDSA-N 1 2 238.740 0.492 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000548298090 388526914 /nfs/dbraw/zinc/52/69/14/388526914.db2.gz FJGSEDOIEIQGSK-QMMMGPOBSA-N 1 2 239.275 0.173 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000548298090 388526916 /nfs/dbraw/zinc/52/69/16/388526916.db2.gz FJGSEDOIEIQGSK-QMMMGPOBSA-N 1 2 239.275 0.173 20 0 BCADLO CCS(=O)(=O)C1CN(c2cc[nH+]c(C)n2)C1 ZINC000516951277 388527258 /nfs/dbraw/zinc/52/72/58/388527258.db2.gz INCRQPWGSWTYKG-UHFFFAOYSA-N 1 2 241.316 0.408 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528443606 388527747 /nfs/dbraw/zinc/52/77/47/388527747.db2.gz QVGJAUXDGCXKRB-IPQKIJNHSA-N 1 2 232.711 0.576 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528443606 388527748 /nfs/dbraw/zinc/52/77/48/388527748.db2.gz QVGJAUXDGCXKRB-IPQKIJNHSA-N 1 2 232.711 0.576 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cnccn1 ZINC000548310710 388528019 /nfs/dbraw/zinc/52/80/19/388528019.db2.gz AJGWUKXJLDECKI-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO CCn1cc(CC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000548364595 388531681 /nfs/dbraw/zinc/53/16/81/388531681.db2.gz OXMNQBSVBUOIED-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@H]1CO ZINC000528475574 388532803 /nfs/dbraw/zinc/53/28/03/388532803.db2.gz KTFNGOKGAOWALU-GNJCPQTGSA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCOC[C@H]1CO ZINC000528475574 388532805 /nfs/dbraw/zinc/53/28/05/388532805.db2.gz KTFNGOKGAOWALU-GNJCPQTGSA-N 1 2 205.685 0.822 20 0 BCADLO CN(Cc1cc[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC000351615577 388532986 /nfs/dbraw/zinc/53/29/86/388532986.db2.gz OHKMIXMGEFIICJ-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000352350415 388535999 /nfs/dbraw/zinc/53/59/99/388535999.db2.gz QVZNRZWRRBLTQX-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000352350415 388536003 /nfs/dbraw/zinc/53/60/03/388536003.db2.gz QVZNRZWRRBLTQX-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000138325584 388593637 /nfs/dbraw/zinc/59/36/37/388593637.db2.gz XIEUJFZHCIPRRV-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000138325584 388593640 /nfs/dbraw/zinc/59/36/40/388593640.db2.gz XIEUJFZHCIPRRV-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC23CC(C2)CO3)C1 ZINC000529870117 388594355 /nfs/dbraw/zinc/59/43/55/388594355.db2.gz VMFQXEXLRASTKO-UHFFFAOYSA-N 1 2 238.331 0.623 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000245872361 388608500 /nfs/dbraw/zinc/60/85/00/388608500.db2.gz WQBIDGOUFQHHOI-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000245872361 388608502 /nfs/dbraw/zinc/60/85/02/388608502.db2.gz WQBIDGOUFQHHOI-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1cccnc1 ZINC000548655372 388551720 /nfs/dbraw/zinc/55/17/20/388551720.db2.gz NEVZDLIYZSRFQU-UHFFFAOYSA-N 1 2 244.298 0.717 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](O)C1CC1 ZINC000548714627 388554981 /nfs/dbraw/zinc/55/49/81/388554981.db2.gz ULNHMEAPFXTOBE-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H](O)C1 ZINC000548747516 388555508 /nfs/dbraw/zinc/55/55/08/388555508.db2.gz GKYBSAVHUDHFTL-IUCAKERBSA-N 1 2 235.287 0.423 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000358823539 388555611 /nfs/dbraw/zinc/55/56/11/388555611.db2.gz WFQRRUOOQGMGOU-NSHDSACASA-N 1 2 235.287 0.560 20 0 BCADLO COC1(C)C[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000358975402 388556254 /nfs/dbraw/zinc/55/62/54/388556254.db2.gz GDRJJMFNDIJYIN-ZCFIWIBFSA-N 1 2 213.199 0.630 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000360973276 388558985 /nfs/dbraw/zinc/55/89/85/388558985.db2.gz BECZITDYIPCIPX-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000360973276 388558987 /nfs/dbraw/zinc/55/89/87/388558987.db2.gz BECZITDYIPCIPX-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1nccn1C ZINC000360917650 388559503 /nfs/dbraw/zinc/55/95/03/388559503.db2.gz GSPVJCAEAIORTO-SSDOTTSWSA-N 1 2 246.261 0.452 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1nccn1C ZINC000360917652 388559864 /nfs/dbraw/zinc/55/98/64/388559864.db2.gz GSPVJCAEAIORTO-ZETCQYMHSA-N 1 2 246.261 0.452 20 0 BCADLO O=S(=O)(C1CC1)N1CCOc2cc[nH+]cc21 ZINC000175661241 388560327 /nfs/dbraw/zinc/56/03/27/388560327.db2.gz MMWJZQSCELHXNO-UHFFFAOYSA-N 1 2 240.284 0.773 20 0 BCADLO CCOC[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000528717790 388561346 /nfs/dbraw/zinc/56/13/46/388561346.db2.gz GQFIYYADWIRHNO-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000528724930 388561778 /nfs/dbraw/zinc/56/17/78/388561778.db2.gz ZNZDWTIXRILYRN-NSHDSACASA-N 1 2 240.307 0.015 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000528724930 388561780 /nfs/dbraw/zinc/56/17/80/388561780.db2.gz ZNZDWTIXRILYRN-NSHDSACASA-N 1 2 240.307 0.015 20 0 BCADLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000521204173 388564407 /nfs/dbraw/zinc/56/44/07/388564407.db2.gz VAGOAJLGFSITDG-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000521204173 388564409 /nfs/dbraw/zinc/56/44/09/388564409.db2.gz VAGOAJLGFSITDG-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000521204173 388564411 /nfs/dbraw/zinc/56/44/11/388564411.db2.gz VAGOAJLGFSITDG-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000521204173 388564412 /nfs/dbraw/zinc/56/44/12/388564412.db2.gz VAGOAJLGFSITDG-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CSCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368491162 388569614 /nfs/dbraw/zinc/56/96/14/388569614.db2.gz SMBNEFXBRYPGQZ-ZETCQYMHSA-N 1 2 238.303 0.805 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000081444806 388576294 /nfs/dbraw/zinc/57/62/94/388576294.db2.gz RGWSIYBHLAXRMT-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000081444806 388576295 /nfs/dbraw/zinc/57/62/95/388576295.db2.gz RGWSIYBHLAXRMT-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO CCn1nccc1CC[N@H+](C)Cc1nnc[nH]1 ZINC000549346834 388577340 /nfs/dbraw/zinc/57/73/40/388577340.db2.gz BONOHUUFUZKIKD-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO CCn1nccc1CC[N@@H+](C)Cc1nnc[nH]1 ZINC000549346834 388577341 /nfs/dbraw/zinc/57/73/41/388577341.db2.gz BONOHUUFUZKIKD-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1C ZINC000549410758 388577743 /nfs/dbraw/zinc/57/77/43/388577743.db2.gz IKXJFDIMVNUQNC-QMMMGPOBSA-N 1 2 246.261 0.937 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](OC(F)F)C2)n1C ZINC000549410758 388577746 /nfs/dbraw/zinc/57/77/46/388577746.db2.gz IKXJFDIMVNUQNC-QMMMGPOBSA-N 1 2 246.261 0.937 20 0 BCADLO Cn1cnnc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549410742 388578691 /nfs/dbraw/zinc/57/86/91/388578691.db2.gz IJNNEYFRRXARHB-ZETCQYMHSA-N 1 2 232.234 0.629 20 0 BCADLO Cn1cnnc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549410742 388578692 /nfs/dbraw/zinc/57/86/92/388578692.db2.gz IJNNEYFRRXARHB-ZETCQYMHSA-N 1 2 232.234 0.629 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccnn1 ZINC000528870955 388580115 /nfs/dbraw/zinc/58/01/15/388580115.db2.gz NWBOROYFWDHVSY-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccnn1 ZINC000528870955 388580117 /nfs/dbraw/zinc/58/01/17/388580117.db2.gz NWBOROYFWDHVSY-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191529660 388665515 /nfs/dbraw/zinc/66/55/15/388665515.db2.gz GBJTYIGFQVZTNC-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191529660 388665518 /nfs/dbraw/zinc/66/55/18/388665518.db2.gz GBJTYIGFQVZTNC-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248444222 388680267 /nfs/dbraw/zinc/68/02/67/388680267.db2.gz BKBDLNRUMXLDMW-QLJPJBMISA-N 1 2 248.392 0.554 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248444222 388680268 /nfs/dbraw/zinc/68/02/68/388680268.db2.gz BKBDLNRUMXLDMW-QLJPJBMISA-N 1 2 248.392 0.554 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ncccc2O)CC1 ZINC000521685752 388625472 /nfs/dbraw/zinc/62/54/72/388625472.db2.gz KTPRPOWSAFBIBE-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCOCC(F)F ZINC000189322960 388630509 /nfs/dbraw/zinc/63/05/09/388630509.db2.gz XUPDNFBCLGRMEZ-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCOCC(F)F ZINC000189322960 388630513 /nfs/dbraw/zinc/63/05/13/388630513.db2.gz XUPDNFBCLGRMEZ-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCc1ccncc1 ZINC000189802062 388644381 /nfs/dbraw/zinc/64/43/81/388644381.db2.gz GONUOSLNMSVHFN-JTQLQIEISA-N 1 2 246.318 0.841 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCc1ccncc1 ZINC000189802062 388644385 /nfs/dbraw/zinc/64/43/85/388644385.db2.gz GONUOSLNMSVHFN-JTQLQIEISA-N 1 2 246.318 0.841 20 0 BCADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000328601327 388645747 /nfs/dbraw/zinc/64/57/47/388645747.db2.gz FGRRZQQMQAGIPB-ZETCQYMHSA-N 1 2 226.280 0.415 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCn2cncn2)n1 ZINC000551974707 388650876 /nfs/dbraw/zinc/65/08/76/388650876.db2.gz IMKWCOKDLUPPEI-QMMMGPOBSA-N 1 2 236.279 0.663 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCn2cncn2)n1 ZINC000551974707 388650879 /nfs/dbraw/zinc/65/08/79/388650879.db2.gz IMKWCOKDLUPPEI-QMMMGPOBSA-N 1 2 236.279 0.663 20 0 BCADLO COC(C)(C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000530335478 388650912 /nfs/dbraw/zinc/65/09/12/388650912.db2.gz YBJHYCVQLUVYCT-MRVPVSSYSA-N 1 2 227.312 0.628 20 0 BCADLO COC(C)(C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000530335478 388650914 /nfs/dbraw/zinc/65/09/14/388650914.db2.gz YBJHYCVQLUVYCT-MRVPVSSYSA-N 1 2 227.312 0.628 20 0 BCADLO CC(=O)N1CC(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000530410506 388653896 /nfs/dbraw/zinc/65/38/96/388653896.db2.gz ZMKFCNMCWVSKES-UHFFFAOYSA-N 1 2 247.298 0.537 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538932165 388741782 /nfs/dbraw/zinc/74/17/82/388741782.db2.gz OXHFZAAFZHVSLS-GXSJLCMTSA-N 1 2 235.287 0.691 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267336 388741923 /nfs/dbraw/zinc/74/19/23/388741923.db2.gz XICAXMGVSODTSF-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267336 388741925 /nfs/dbraw/zinc/74/19/25/388741925.db2.gz XICAXMGVSODTSF-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO Cn1cc(CC(=O)NCCCn2cc[nH+]c2)cn1 ZINC000194763249 388742540 /nfs/dbraw/zinc/74/25/40/388742540.db2.gz UJOIQYZJEPMPPH-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC000194902938 388746279 /nfs/dbraw/zinc/74/62/79/388746279.db2.gz MARLONOCDAYGKR-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC000194902938 388746281 /nfs/dbraw/zinc/74/62/81/388746281.db2.gz MARLONOCDAYGKR-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccco2)CCO1 ZINC000522313827 388750008 /nfs/dbraw/zinc/75/00/08/388750008.db2.gz JAHSIHWEXNMTSI-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccco2)CCO1 ZINC000522313827 388750013 /nfs/dbraw/zinc/75/00/13/388750013.db2.gz JAHSIHWEXNMTSI-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCOCC1 ZINC000539246228 388751571 /nfs/dbraw/zinc/75/15/71/388751571.db2.gz RILLIVDTODXBTK-UHFFFAOYSA-N 1 2 226.280 0.369 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCOCC1 ZINC000539246228 388751574 /nfs/dbraw/zinc/75/15/74/388751574.db2.gz RILLIVDTODXBTK-UHFFFAOYSA-N 1 2 226.280 0.369 20 0 BCADLO CCNC(=O)C[N@@H+](CC(=O)OCC)CC(C)C ZINC000065223762 388688826 /nfs/dbraw/zinc/68/88/26/388688826.db2.gz PUJYFTSFWVBOOZ-UHFFFAOYSA-N 1 2 244.335 0.644 20 0 BCADLO CCNC(=O)C[N@H+](CC(=O)OCC)CC(C)C ZINC000065223762 388688828 /nfs/dbraw/zinc/68/88/28/388688828.db2.gz PUJYFTSFWVBOOZ-UHFFFAOYSA-N 1 2 244.335 0.644 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC000126268240 388692242 /nfs/dbraw/zinc/69/22/42/388692242.db2.gz IITLUNFXLWXHTH-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC000126268240 388692245 /nfs/dbraw/zinc/69/22/45/388692245.db2.gz IITLUNFXLWXHTH-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCOC(=O)CSCC[NH+]1CCOCC1 ZINC000126644892 388699475 /nfs/dbraw/zinc/69/94/75/388699475.db2.gz FSNAFLIBIRWZSD-UHFFFAOYSA-N 1 2 233.333 0.615 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000248936422 388699629 /nfs/dbraw/zinc/69/96/29/388699629.db2.gz NFWHCRXSJUYFSB-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000248936422 388699632 /nfs/dbraw/zinc/69/96/32/388699632.db2.gz NFWHCRXSJUYFSB-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000126784636 388702562 /nfs/dbraw/zinc/70/25/62/388702562.db2.gz CDPMQIZNZYNHEH-SECBINFHSA-N 1 2 233.271 0.807 20 0 BCADLO CC[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249003153 388703372 /nfs/dbraw/zinc/70/33/72/388703372.db2.gz HORYHRKWJCJQTN-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249003153 388703374 /nfs/dbraw/zinc/70/33/74/388703374.db2.gz HORYHRKWJCJQTN-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)[C@H]1CO ZINC000249061341 388707204 /nfs/dbraw/zinc/70/72/04/388707204.db2.gz HSYQPLRZBADJQG-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)[C@H]1CO ZINC000249061341 388707206 /nfs/dbraw/zinc/70/72/06/388707206.db2.gz HSYQPLRZBADJQG-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)[C@H]1CO ZINC000249061339 388707490 /nfs/dbraw/zinc/70/74/90/388707490.db2.gz HSYQPLRZBADJQG-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)[C@H]1CO ZINC000249061339 388707494 /nfs/dbraw/zinc/70/74/94/388707494.db2.gz HSYQPLRZBADJQG-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO CSC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000249200014 388710461 /nfs/dbraw/zinc/71/04/61/388710461.db2.gz CSXCOBGGFOWMBE-VHSXEESVSA-N 1 2 249.376 0.982 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000249200014 388710464 /nfs/dbraw/zinc/71/04/64/388710464.db2.gz CSXCOBGGFOWMBE-VHSXEESVSA-N 1 2 249.376 0.982 20 0 BCADLO C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1c[nH+]cn1C ZINC000249452444 388722239 /nfs/dbraw/zinc/72/22/39/388722239.db2.gz MNZWTMNBIRAZOD-FXPVBKGRSA-N 1 2 234.303 0.649 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226592377 388724640 /nfs/dbraw/zinc/72/46/40/388724640.db2.gz XFZKDLPYZFIETR-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)COC(C)C ZINC000070069289 388729067 /nfs/dbraw/zinc/72/90/67/388729067.db2.gz YNHLJSUXUHECLG-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)COC(C)C ZINC000070069289 388729070 /nfs/dbraw/zinc/72/90/70/388729070.db2.gz YNHLJSUXUHECLG-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000249588825 388729222 /nfs/dbraw/zinc/72/92/22/388729222.db2.gz UUUUEBOWHXZWTP-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000249588825 388729223 /nfs/dbraw/zinc/72/92/23/388729223.db2.gz UUUUEBOWHXZWTP-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCC1=O ZINC000229507823 388791896 /nfs/dbraw/zinc/79/18/96/388791896.db2.gz YETOQLGFXPJZAH-VHSXEESVSA-N 1 2 224.304 0.566 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCC1=O ZINC000229507823 388791899 /nfs/dbraw/zinc/79/18/99/388791899.db2.gz YETOQLGFXPJZAH-VHSXEESVSA-N 1 2 224.304 0.566 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507920 388792616 /nfs/dbraw/zinc/79/26/16/388792616.db2.gz BUPPPOSPAQSUIB-UWVGGRQHSA-N 1 2 226.320 0.812 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507920 388792618 /nfs/dbraw/zinc/79/26/18/388792618.db2.gz BUPPPOSPAQSUIB-UWVGGRQHSA-N 1 2 226.320 0.812 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccoc2)CCO1 ZINC000523051904 388793092 /nfs/dbraw/zinc/79/30/92/388793092.db2.gz QLTTWGPSQPOBEP-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccoc2)CCO1 ZINC000523051904 388793094 /nfs/dbraw/zinc/79/30/94/388793094.db2.gz QLTTWGPSQPOBEP-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO Cn1cc(C[N@H+](C)C2(C(N)=O)CCCC2)nn1 ZINC000540061035 388794700 /nfs/dbraw/zinc/79/47/00/388794700.db2.gz DRNVQZGMMVSIEG-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)nn1 ZINC000540061035 388794703 /nfs/dbraw/zinc/79/47/03/388794703.db2.gz DRNVQZGMMVSIEG-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc[nH]n1 ZINC000092382003 388800869 /nfs/dbraw/zinc/80/08/69/388800869.db2.gz USAOYCNDRCPPTE-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc[nH]n1 ZINC000092382003 388800872 /nfs/dbraw/zinc/80/08/72/388800872.db2.gz USAOYCNDRCPPTE-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO Cc1nc(N2CC(O)(CO)C2)c2c([nH+]1)CCCC2 ZINC000572542069 388801489 /nfs/dbraw/zinc/80/14/89/388801489.db2.gz RXBGYLDSKLRICY-UHFFFAOYSA-N 1 2 249.314 0.207 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000230012247 388809256 /nfs/dbraw/zinc/80/92/56/388809256.db2.gz RXZFBULASKILEL-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000230012247 388809261 /nfs/dbraw/zinc/80/92/61/388809261.db2.gz RXZFBULASKILEL-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO CC[C@@H]([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000228728259 388772566 /nfs/dbraw/zinc/77/25/66/388772566.db2.gz KRTHCIVHFVZKHK-DTWKUNHWSA-N 1 2 219.281 0.189 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](O)C1(C)C ZINC000555242465 388843986 /nfs/dbraw/zinc/84/39/86/388843986.db2.gz RZPLDLLWBNNETJ-SNVBAGLBSA-N 1 2 237.303 0.334 20 0 BCADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000555228092 388844142 /nfs/dbraw/zinc/84/41/42/388844142.db2.gz BIAURGCOSXSJEX-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@@H](C)O)CC2)n1C ZINC000225777931 388844202 /nfs/dbraw/zinc/84/42/02/388844202.db2.gz VSANOPZDRGGXML-SECBINFHSA-N 1 2 238.335 0.716 20 0 BCADLO Cc1nnc(CNC(=O)c2c[nH+]c(C)[nH]2)s1 ZINC000540957388 388829051 /nfs/dbraw/zinc/82/90/51/388829051.db2.gz SLTPIYFEMAMCES-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO CO[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523688870 388852391 /nfs/dbraw/zinc/85/23/91/388852391.db2.gz LRMXDOYYHAFERH-QMMMGPOBSA-N 1 2 209.249 0.301 20 0 BCADLO CC[C@@H](CO)N(C)c1nc[nH+]c(N)c1Cl ZINC000293617677 388861396 /nfs/dbraw/zinc/86/13/96/388861396.db2.gz DGVKGOUJLMVXKE-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO CC[C@@H](CO)N(C)c1[nH+]cnc(N)c1Cl ZINC000293617677 388861400 /nfs/dbraw/zinc/86/14/00/388861400.db2.gz DGVKGOUJLMVXKE-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541685657 388862867 /nfs/dbraw/zinc/86/28/67/388862867.db2.gz SKBWCQLYZCCZAU-YUMQZZPRSA-N 1 2 240.307 0.943 20 0 BCADLO COC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000648775920 388863166 /nfs/dbraw/zinc/86/31/66/388863166.db2.gz AMWTUSZMCOPIDG-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1(CO)COC1 ZINC000129698104 388866313 /nfs/dbraw/zinc/86/63/13/388866313.db2.gz ANCLDYRULQSSOV-SNVBAGLBSA-N 1 2 245.319 0.267 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CC1(CO)COC1 ZINC000129698104 388866317 /nfs/dbraw/zinc/86/63/17/388866317.db2.gz ANCLDYRULQSSOV-SNVBAGLBSA-N 1 2 245.319 0.267 20 0 BCADLO CN1CC(=O)N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000541257820 388845627 /nfs/dbraw/zinc/84/56/27/388845627.db2.gz RKRGGABLDZOJBS-NSHDSACASA-N 1 2 248.311 0.994 20 0 BCADLO COCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523681459 388850951 /nfs/dbraw/zinc/85/09/51/388850951.db2.gz SOAKXZRKAAAPMX-UHFFFAOYSA-N 1 2 209.249 0.303 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CO1 ZINC000649151027 388880674 /nfs/dbraw/zinc/88/06/74/388880674.db2.gz KDGGMXOMADUZAI-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CO1 ZINC000649150740 388880819 /nfs/dbraw/zinc/88/08/19/388880819.db2.gz OXFNRKDIBLMPTN-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ncc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000564639877 388882079 /nfs/dbraw/zinc/88/20/79/388882079.db2.gz MXOJSPBNZAMHEO-UHFFFAOYSA-N 1 2 217.232 0.620 20 0 BCADLO COC[C@H](C)N(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000564835220 388893256 /nfs/dbraw/zinc/89/32/56/388893256.db2.gz FXUDLBPQYKARGZ-IONNQARKSA-N 1 2 243.332 0.636 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CO ZINC000565186939 388922774 /nfs/dbraw/zinc/92/27/74/388922774.db2.gz AKGIPPDFUDXEII-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CO ZINC000565186939 388922770 /nfs/dbraw/zinc/92/27/70/388922770.db2.gz AKGIPPDFUDXEII-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565179526 388923420 /nfs/dbraw/zinc/92/34/20/388923420.db2.gz XDUPPDVSXAQSNH-ZJUUUORDSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565179526 388923417 /nfs/dbraw/zinc/92/34/17/388923417.db2.gz XDUPPDVSXAQSNH-ZJUUUORDSA-N 1 2 239.319 0.987 20 0 BCADLO CCCN(CC(N)=O)C(=O)C[NH+]1CC(C)(C)C1 ZINC000565726861 388966500 /nfs/dbraw/zinc/96/65/00/388966500.db2.gz SOXRIVKIRVEWMS-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC[C@@H](C[N@H+]1CCn2nncc2C1)OC ZINC000565314182 388937413 /nfs/dbraw/zinc/93/74/13/388937413.db2.gz VABAJBKHZODKQJ-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CC[C@@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000565314182 388937410 /nfs/dbraw/zinc/93/74/10/388937410.db2.gz VABAJBKHZODKQJ-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ncn1 ZINC000153077906 388937813 /nfs/dbraw/zinc/93/78/13/388937813.db2.gz GXZPAVIAKDWQQO-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)CO ZINC000565493361 388950484 /nfs/dbraw/zinc/95/04/84/388950484.db2.gz QDHVGLSKHNEGML-UHFFFAOYSA-N 1 2 225.292 0.097 20 0 BCADLO C[C@H](C(=O)NCC(F)F)[NH+]1CCSCC1 ZINC000153205075 388950497 /nfs/dbraw/zinc/95/04/97/388950497.db2.gz ATWYLBAELFKDMM-SSDOTTSWSA-N 1 2 238.303 0.805 20 0 BCADLO CC(C)n1cc(C[NH+]2CC(C)(C(N)=O)C2)nn1 ZINC000565537320 388952344 /nfs/dbraw/zinc/95/23/44/388952344.db2.gz JINXXAUJFVKERH-UHFFFAOYSA-N 1 2 237.307 0.166 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@](C)(O)C1 ZINC000565557709 388953356 /nfs/dbraw/zinc/95/33/56/388953356.db2.gz RJBUBLCCTZAFTR-GFCCVEGCSA-N 1 2 237.303 0.336 20 0 BCADLO C[C@@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000565959444 388982336 /nfs/dbraw/zinc/98/23/36/388982336.db2.gz NPKMAMLQGGIUOU-SECBINFHSA-N 1 2 220.272 0.822 20 0 BCADLO C[C@@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000565959444 388982338 /nfs/dbraw/zinc/98/23/38/388982338.db2.gz NPKMAMLQGGIUOU-SECBINFHSA-N 1 2 220.272 0.822 20 0 BCADLO CCS(=O)(=O)NCCNc1cc[nH+]c(C)n1 ZINC000266378885 388994899 /nfs/dbraw/zinc/99/48/99/388994899.db2.gz MUPGKWWXTQIEKD-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)n1cccn1 ZINC000267062562 388998407 /nfs/dbraw/zinc/99/84/07/388998407.db2.gz AEHZTURPQPTYRX-SECBINFHSA-N 1 2 233.275 0.792 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C)cn1 ZINC000266957000 388998633 /nfs/dbraw/zinc/99/86/33/388998633.db2.gz GUYUPUJAYQLVHO-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1csnn1 ZINC000267866051 389001739 /nfs/dbraw/zinc/00/17/39/389001739.db2.gz IUYRYHJGFCHKPT-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccnn1C ZINC000267859852 389001603 /nfs/dbraw/zinc/00/16/03/389001603.db2.gz GKRHLFYELLWJSI-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO CN(Cc1[nH+]ccn1C)Cc1nccc(N)n1 ZINC000153428190 388971526 /nfs/dbraw/zinc/97/15/26/388971526.db2.gz INUKQZONMBSOOS-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO CC(C)(C)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000269079066 389006620 /nfs/dbraw/zinc/00/66/20/389006620.db2.gz VTVWTHTYLNCDFF-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO CC[N@@H+](CCCO)Cc1csnn1 ZINC000271172372 389017981 /nfs/dbraw/zinc/01/79/81/389017981.db2.gz FFVBFSLQVNPGSI-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO CC[N@H+](CCCO)Cc1csnn1 ZINC000271172372 389017977 /nfs/dbraw/zinc/01/79/77/389017977.db2.gz FFVBFSLQVNPGSI-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493285281 533344493 /nfs/dbraw/zinc/34/44/93/533344493.db2.gz CJHLAMDRVKHMBO-KHTCFXRASA-N 1 2 223.276 0.963 20 0 BCADLO COC(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493085328 533431177 /nfs/dbraw/zinc/43/11/77/533431177.db2.gz OWRQWBHWZRWUTJ-IHWYPQMZSA-N 1 2 223.232 0.102 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](OC)C1CC1 ZINC000400234212 533478119 /nfs/dbraw/zinc/47/81/19/533478119.db2.gz IAHARWOVFBBJGG-VIFPVBQESA-N 1 2 201.266 0.516 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](OC)C1CC1 ZINC000400234212 533478123 /nfs/dbraw/zinc/47/81/23/533478123.db2.gz IAHARWOVFBBJGG-VIFPVBQESA-N 1 2 201.266 0.516 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493748218 533600067 /nfs/dbraw/zinc/60/00/67/533600067.db2.gz CDQVAQIZUHLPQD-CDAZIORVSA-N 1 2 223.276 0.652 20 0 BCADLO COCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000533548578 322830409 /nfs/dbraw/zinc/83/04/09/322830409.db2.gz ZAMJBFVEFIWFKR-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CNC(=O)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000266095273 132184155 /nfs/dbraw/zinc/18/41/55/132184155.db2.gz GCHQNRBOPKKCOY-SNVBAGLBSA-N 1 2 234.303 0.747 20 0 BCADLO Cc1nc(N2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000266135970 132184161 /nfs/dbraw/zinc/18/41/61/132184161.db2.gz PMDMFPWUJXDTQY-SECBINFHSA-N 1 2 220.276 0.487 20 0 BCADLO Cc1cc(N2CCNC(=O)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000267228864 132188818 /nfs/dbraw/zinc/18/88/18/132188818.db2.gz FHRUDDLWUWWRSH-VIFPVBQESA-N 1 2 246.314 0.987 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)CC(=O)N1C ZINC000283388929 132212542 /nfs/dbraw/zinc/21/25/42/132212542.db2.gz DRFJKRXGSJHLGO-SECBINFHSA-N 1 2 205.261 0.749 20 0 BCADLO CNC(=O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000341260288 132225980 /nfs/dbraw/zinc/22/59/80/132225980.db2.gz SAMABDPOKOTRBB-UHFFFAOYSA-N 1 2 248.330 0.258 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC(=O)N1 ZINC000334027454 132246522 /nfs/dbraw/zinc/24/65/22/132246522.db2.gz IFXIICLGGVUKKK-QMMMGPOBSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC(=O)N1 ZINC000334027454 132246523 /nfs/dbraw/zinc/24/65/23/132246523.db2.gz IFXIICLGGVUKKK-QMMMGPOBSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](CO)O1 ZINC000302786875 132266266 /nfs/dbraw/zinc/26/62/66/132266266.db2.gz WIIGURSNUGRZRQ-KOLCDFICSA-N 1 2 249.314 0.940 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](CO)O1 ZINC000302786876 132266353 /nfs/dbraw/zinc/26/63/53/132266353.db2.gz WIIGURSNUGRZRQ-MWLCHTKSSA-N 1 2 249.314 0.940 20 0 BCADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](CO)O1 ZINC000302786877 132266379 /nfs/dbraw/zinc/26/63/79/132266379.db2.gz WIIGURSNUGRZRQ-ONGXEEELSA-N 1 2 249.314 0.940 20 0 BCADLO OC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000302793136 132266804 /nfs/dbraw/zinc/26/68/04/132266804.db2.gz NBMQFEINMUOBTQ-QWRGUYRKSA-N 1 2 249.314 0.534 20 0 BCADLO Cc1nc(N2CCSCC2)nc(N(C)C)[nH+]1 ZINC000359127264 132276010 /nfs/dbraw/zinc/27/60/10/132276010.db2.gz QUOBGHUALOYNKW-UHFFFAOYSA-N 1 2 239.348 0.799 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCSCC2)[nH+]1 ZINC000359127264 132276013 /nfs/dbraw/zinc/27/60/13/132276013.db2.gz QUOBGHUALOYNKW-UHFFFAOYSA-N 1 2 239.348 0.799 20 0 BCADLO Cc1nc(N2CC[S@@](=O)[C@H](C)C2)cc[nH+]1 ZINC000361057508 132279678 /nfs/dbraw/zinc/27/96/78/132279678.db2.gz AGCFEQUSPKWYIB-ANRSDYALSA-N 1 2 225.317 0.742 20 0 BCADLO Cc1nc(N2CC[S@](=O)[C@@H](C)C2)cc[nH+]1 ZINC000361057509 132279784 /nfs/dbraw/zinc/27/97/84/132279784.db2.gz AGCFEQUSPKWYIB-AYVTZFPOSA-N 1 2 225.317 0.742 20 0 BCADLO O=C(NCCO)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362156000 132280918 /nfs/dbraw/zinc/28/09/18/132280918.db2.gz OPKMFUQPHACYHY-LLVKDONJSA-N 1 2 249.314 0.407 20 0 BCADLO Cc1ccc(N2CC[N@H+](CCO)CC2=O)cc1 ZINC000375609769 132288538 /nfs/dbraw/zinc/28/85/38/132288538.db2.gz BJEPTUGDOGFCDF-UHFFFAOYSA-N 1 2 234.299 0.636 20 0 BCADLO Cc1ccc(N2CC[N@@H+](CCO)CC2=O)cc1 ZINC000375609769 132288540 /nfs/dbraw/zinc/28/85/40/132288540.db2.gz BJEPTUGDOGFCDF-UHFFFAOYSA-N 1 2 234.299 0.636 20 0 BCADLO O=C1NC[C@@H]2CN(c3cccc[nH+]3)CC[C@H]12 ZINC000377330788 132289582 /nfs/dbraw/zinc/28/95/82/132289582.db2.gz OEGHQZNPNRCWHD-ZJUUUORDSA-N 1 2 217.272 0.654 20 0 BCADLO Cc1nc(N2CC[C@@H](O)[C@H](C)C2)cc[nH+]1 ZINC000127155050 132298653 /nfs/dbraw/zinc/29/86/53/132298653.db2.gz DOFDOKQNQCPKBU-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO CO[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000054868227 132365134 /nfs/dbraw/zinc/36/51/34/132365134.db2.gz RYVVOEGKNKNCNT-LLVKDONJSA-N 1 2 249.314 0.765 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@@H]1O ZINC000235342931 132392071 /nfs/dbraw/zinc/39/20/71/132392071.db2.gz CNEDJRWQRRQBAI-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@@H]1O ZINC000235342931 132392073 /nfs/dbraw/zinc/39/20/73/132392073.db2.gz CNEDJRWQRRQBAI-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](C(=O)N(C)C1CCC1)[NH+]1CCOCC1 ZINC000334687592 133721690 /nfs/dbraw/zinc/72/16/90/133721690.db2.gz JLEHMVQUNZGTQK-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000347285839 133818929 /nfs/dbraw/zinc/81/89/29/133818929.db2.gz GQHXGFFISWKKMD-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1ccn[nH]1 ZINC000335844397 133936906 /nfs/dbraw/zinc/93/69/06/133936906.db2.gz WDDSDIGVLMGOCX-SECBINFHSA-N 1 2 245.286 0.914 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C)C1 ZINC000335926768 134008917 /nfs/dbraw/zinc/00/89/17/134008917.db2.gz TWYTVODQBZZTMJ-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C)C1 ZINC000335926768 134008918 /nfs/dbraw/zinc/00/89/18/134008918.db2.gz TWYTVODQBZZTMJ-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)C ZINC000335938149 134013386 /nfs/dbraw/zinc/01/33/86/134013386.db2.gz ARESCROSQPLWSM-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)C ZINC000335938149 134013387 /nfs/dbraw/zinc/01/33/87/134013387.db2.gz ARESCROSQPLWSM-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000335939739 134013597 /nfs/dbraw/zinc/01/35/97/134013597.db2.gz PQHIZTRYBKLRIP-LBPRGKRZSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000335939739 134013598 /nfs/dbraw/zinc/01/35/98/134013598.db2.gz PQHIZTRYBKLRIP-LBPRGKRZSA-N 1 2 244.310 0.716 20 0 BCADLO CCn1cc[nH+]c1CN1CC[S@](=O)[C@@H](C)C1 ZINC000335944796 134019435 /nfs/dbraw/zinc/01/94/35/134019435.db2.gz LFPMAEFHTRRMBV-QFYYESIMSA-N 1 2 241.360 0.856 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335959200 134023994 /nfs/dbraw/zinc/02/39/94/134023994.db2.gz QSGGBRKXJGPGBV-KOLCDFICSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335959200 134023995 /nfs/dbraw/zinc/02/39/95/134023995.db2.gz QSGGBRKXJGPGBV-KOLCDFICSA-N 1 2 232.299 0.260 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335958956 134024192 /nfs/dbraw/zinc/02/41/92/134024192.db2.gz IKCWBYDRUDPRMM-ONGXEEELSA-N 1 2 230.283 0.061 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335958956 134024193 /nfs/dbraw/zinc/02/41/93/134024193.db2.gz IKCWBYDRUDPRMM-ONGXEEELSA-N 1 2 230.283 0.061 20 0 BCADLO Cc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000351941956 134025054 /nfs/dbraw/zinc/02/50/54/134025054.db2.gz YUOKXRXHXFWSOK-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000351941956 134025055 /nfs/dbraw/zinc/02/50/55/134025055.db2.gz YUOKXRXHXFWSOK-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO CN1CC[N@@H+](CCN2CCCC2=O)C(C)(C)C1 ZINC000335974631 134030938 /nfs/dbraw/zinc/03/09/38/134030938.db2.gz VGSLCXKDXMOLCH-UHFFFAOYSA-N 1 2 239.363 0.635 20 0 BCADLO CC(=O)CCCC(=O)NCc1c[nH+]c[nH]1 ZINC000352002797 134033528 /nfs/dbraw/zinc/03/35/28/134033528.db2.gz NZGXLXPWPRFDCL-UHFFFAOYSA-N 1 2 209.249 0.785 20 0 BCADLO CC(=O)CCCC(=O)NCc1c[nH]c[nH+]1 ZINC000352002797 134033529 /nfs/dbraw/zinc/03/35/29/134033529.db2.gz NZGXLXPWPRFDCL-UHFFFAOYSA-N 1 2 209.249 0.785 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000335996810 134042714 /nfs/dbraw/zinc/04/27/14/134042714.db2.gz PFUMLIDHMRPYEU-KWQFWETISA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000335996810 134042715 /nfs/dbraw/zinc/04/27/15/134042715.db2.gz PFUMLIDHMRPYEU-KWQFWETISA-N 1 2 209.293 0.921 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000336012351 134051796 /nfs/dbraw/zinc/05/17/96/134051796.db2.gz RQHIKNOJWSHDDY-VIFPVBQESA-N 1 2 237.307 0.221 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000336012351 134051797 /nfs/dbraw/zinc/05/17/97/134051797.db2.gz RQHIKNOJWSHDDY-VIFPVBQESA-N 1 2 237.307 0.221 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000336012351 134051798 /nfs/dbraw/zinc/05/17/98/134051798.db2.gz RQHIKNOJWSHDDY-VIFPVBQESA-N 1 2 237.307 0.221 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000336012351 134051799 /nfs/dbraw/zinc/05/17/99/134051799.db2.gz RQHIKNOJWSHDDY-VIFPVBQESA-N 1 2 237.307 0.221 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336016912 134053483 /nfs/dbraw/zinc/05/34/83/134053483.db2.gz XRTGTFIHIGYLJZ-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336016912 134053484 /nfs/dbraw/zinc/05/34/84/134053484.db2.gz XRTGTFIHIGYLJZ-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000336046067 134063481 /nfs/dbraw/zinc/06/34/81/134063481.db2.gz OVXBTATYEROOEJ-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000336046067 134063482 /nfs/dbraw/zinc/06/34/82/134063482.db2.gz OVXBTATYEROOEJ-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000336048927 134064329 /nfs/dbraw/zinc/06/43/29/134064329.db2.gz JJNXNENSZGKXJQ-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000336054256 134065903 /nfs/dbraw/zinc/06/59/03/134065903.db2.gz VAWDARUTWIYWSV-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000336054256 134065904 /nfs/dbraw/zinc/06/59/04/134065904.db2.gz VAWDARUTWIYWSV-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)C[NH+]1CCOCC1 ZINC000336065419 134070233 /nfs/dbraw/zinc/07/02/33/134070233.db2.gz PBAGMSUDEVPWCY-AOOOYVTPSA-N 1 2 212.293 0.328 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)N1CCC1 ZINC000336088358 134077329 /nfs/dbraw/zinc/07/73/29/134077329.db2.gz LZHQAAOTOCYCTR-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)N1CCC1 ZINC000336088358 134077330 /nfs/dbraw/zinc/07/73/30/134077330.db2.gz LZHQAAOTOCYCTR-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2C)[nH]1 ZINC000336131041 134094438 /nfs/dbraw/zinc/09/44/38/134094438.db2.gz CCPRQBGYCQCRDV-MRVPVSSYSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2C)[nH]1 ZINC000336131041 134094439 /nfs/dbraw/zinc/09/44/39/134094439.db2.gz CCPRQBGYCQCRDV-MRVPVSSYSA-N 1 2 222.292 0.494 20 0 BCADLO CC[N@@H+](Cc1noc(COC)n1)C[C@@H](C)O ZINC000352201828 134101221 /nfs/dbraw/zinc/10/12/21/134101221.db2.gz HFXKRYMOQNULJI-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1noc(COC)n1)C[C@@H](C)O ZINC000352201828 134101222 /nfs/dbraw/zinc/10/12/22/134101222.db2.gz HFXKRYMOQNULJI-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000336145409 134102078 /nfs/dbraw/zinc/10/20/78/134102078.db2.gz SSZIJVRDOGBCML-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@H](C(=O)N1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000336145408 134102415 /nfs/dbraw/zinc/10/24/15/134102415.db2.gz SSZIJVRDOGBCML-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H](O)C1 ZINC000336166085 134113320 /nfs/dbraw/zinc/11/33/20/134113320.db2.gz OCVUWHVJIHOTMT-PSASIEDQSA-N 1 2 223.276 0.577 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H](O)C1 ZINC000336166085 134113321 /nfs/dbraw/zinc/11/33/21/134113321.db2.gz OCVUWHVJIHOTMT-PSASIEDQSA-N 1 2 223.276 0.577 20 0 BCADLO C[C@@H](CO)CSCC(=O)N1CC[NH+](C)CC1 ZINC000085139122 134224401 /nfs/dbraw/zinc/22/44/01/134224401.db2.gz HWVUMHCFUDHODL-JTQLQIEISA-N 1 2 246.376 0.122 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000168646645 134237732 /nfs/dbraw/zinc/23/77/32/134237732.db2.gz WXQYWPAYSDDWBS-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000168646645 134237733 /nfs/dbraw/zinc/23/77/33/134237733.db2.gz WXQYWPAYSDDWBS-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000168646747 134237778 /nfs/dbraw/zinc/23/77/78/134237778.db2.gz WXQYWPAYSDDWBS-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000168646747 134237779 /nfs/dbraw/zinc/23/77/79/134237779.db2.gz WXQYWPAYSDDWBS-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250516 134252549 /nfs/dbraw/zinc/25/25/49/134252549.db2.gz IUXXBYKOOKHZSV-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249818 134252554 /nfs/dbraw/zinc/25/25/54/134252554.db2.gz XEHIWIKSWBELOO-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO COC[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171530170 134258815 /nfs/dbraw/zinc/25/88/15/134258815.db2.gz RVEPBWVNMLBUDG-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@H](C)O)n1C ZINC000173818315 134278085 /nfs/dbraw/zinc/27/80/85/134278085.db2.gz RHMRMWUMKBKDGN-VIFPVBQESA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@H](C)O)n1C ZINC000173818315 134278086 /nfs/dbraw/zinc/27/80/86/134278086.db2.gz RHMRMWUMKBKDGN-VIFPVBQESA-N 1 2 226.324 0.580 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174754417 134283288 /nfs/dbraw/zinc/28/32/88/134283288.db2.gz QZBHBCQJHLYBOH-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO CCC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000177477045 134298780 /nfs/dbraw/zinc/29/87/80/134298780.db2.gz QRGXCEOODGQRHQ-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nc(C(C)C)no1)C(N)=O ZINC000177575276 134300263 /nfs/dbraw/zinc/30/02/63/134300263.db2.gz IOLXILQJJMSWAA-LLVKDONJSA-N 1 2 240.307 0.937 20 0 BCADLO O=C(NCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178471107 134307179 /nfs/dbraw/zinc/30/71/79/134307179.db2.gz GNLXUBSAKFHYHN-JTQLQIEISA-N 1 2 219.288 0.972 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCOC1 ZINC000178382292 134309144 /nfs/dbraw/zinc/30/91/44/134309144.db2.gz GQQDVUSDISRAET-NSHDSACASA-N 1 2 245.282 0.987 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CC=CC1 ZINC000178613162 134311937 /nfs/dbraw/zinc/31/19/37/134311937.db2.gz FXEXUTBJWVKHSX-GFCCVEGCSA-N 1 2 235.331 0.069 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1C[C@H]1C1CC1 ZINC000178608517 134311955 /nfs/dbraw/zinc/31/19/55/134311955.db2.gz VVYNCQQAXPBHPX-FRRDWIJNSA-N 1 2 249.358 0.149 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[C@@H]1C1CC1 ZINC000178608508 134312294 /nfs/dbraw/zinc/31/22/94/134312294.db2.gz VVYNCQQAXPBHPX-UPJWGTAASA-N 1 2 249.358 0.149 20 0 BCADLO CC(C)N(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178908970 134313092 /nfs/dbraw/zinc/31/30/92/134313092.db2.gz LGJJIBPMQYBRHG-NSHDSACASA-N 1 2 240.351 0.036 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000181911480 134340488 /nfs/dbraw/zinc/34/04/88/134340488.db2.gz NNGBFAWLDPAUHZ-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000181911480 134340489 /nfs/dbraw/zinc/34/04/89/134340489.db2.gz NNGBFAWLDPAUHZ-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)COC)C(=O)OC ZINC000183669757 134355617 /nfs/dbraw/zinc/35/56/17/134355617.db2.gz QQMUQXYTZMLSFX-GUBZILKMSA-N 1 2 233.308 0.171 20 0 BCADLO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000184005389 134356280 /nfs/dbraw/zinc/35/62/80/134356280.db2.gz UPOYZLWSTVYRLB-NXEZZACHSA-N 1 2 247.298 0.490 20 0 BCADLO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000184005389 134356281 /nfs/dbraw/zinc/35/62/81/134356281.db2.gz UPOYZLWSTVYRLB-NXEZZACHSA-N 1 2 247.298 0.490 20 0 BCADLO CC(C)C[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000184527816 134363409 /nfs/dbraw/zinc/36/34/09/134363409.db2.gz OROBUILMSGWKJP-LBPRGKRZSA-N 1 2 242.363 0.805 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185162051 134372210 /nfs/dbraw/zinc/37/22/10/134372210.db2.gz PXPYEHMKKAUVEE-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185162051 134372211 /nfs/dbraw/zinc/37/22/11/134372211.db2.gz PXPYEHMKKAUVEE-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227767105 134393122 /nfs/dbraw/zinc/39/31/22/134393122.db2.gz KKNKHWNYTKNGIR-VXNVDRBHSA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCSC)C1CC1 ZINC000227767565 134393130 /nfs/dbraw/zinc/39/31/30/134393130.db2.gz JAMZEIAIENYDTQ-QMMMGPOBSA-N 1 2 203.307 0.891 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C)C(=O)N1CCCC1 ZINC000071273759 134930580 /nfs/dbraw/zinc/93/05/80/134930580.db2.gz VFFMYKLOIOWYFE-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)[C@H](c2ccccc2)CO1 ZINC000076148545 135013660 /nfs/dbraw/zinc/01/36/60/135013660.db2.gz CZXLFSBSZJMLQU-PWSUYJOCSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)[C@H](c2ccccc2)CO1 ZINC000076148545 135013661 /nfs/dbraw/zinc/01/36/61/135013661.db2.gz CZXLFSBSZJMLQU-PWSUYJOCSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000249114398 135033213 /nfs/dbraw/zinc/03/32/13/135033213.db2.gz QGKVADAYTYQMRT-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000249114398 135033214 /nfs/dbraw/zinc/03/32/14/135033214.db2.gz QGKVADAYTYQMRT-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1nc(N(C)[C@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000249356162 135037218 /nfs/dbraw/zinc/03/72/18/135037218.db2.gz RDKCVJSZJSLWNZ-ANRSDYALSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000250129487 135049317 /nfs/dbraw/zinc/04/93/17/135049317.db2.gz WUXUTFJWBQPSSM-LBPRGKRZSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000250129487 135049319 /nfs/dbraw/zinc/04/93/19/135049319.db2.gz WUXUTFJWBQPSSM-LBPRGKRZSA-N 1 2 249.358 0.888 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000073167041 135056705 /nfs/dbraw/zinc/05/67/05/135056705.db2.gz BEWQJOJCGDLMEE-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000073167041 135056706 /nfs/dbraw/zinc/05/67/06/135056706.db2.gz BEWQJOJCGDLMEE-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000251140355 135064701 /nfs/dbraw/zinc/06/47/01/135064701.db2.gz IYNHIQBWJGNQDC-FBIMIBRVSA-N 1 2 227.304 0.953 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000073871092 135078581 /nfs/dbraw/zinc/07/85/81/135078581.db2.gz WOUYPSGVPSVZJV-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000073871092 135078583 /nfs/dbraw/zinc/07/85/83/135078583.db2.gz WOUYPSGVPSVZJV-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000252442690 135090153 /nfs/dbraw/zinc/09/01/53/135090153.db2.gz AZXFXCRGHQFTRH-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000252442690 135090155 /nfs/dbraw/zinc/09/01/55/135090155.db2.gz AZXFXCRGHQFTRH-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO OC[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000086831785 135097873 /nfs/dbraw/zinc/09/78/73/135097873.db2.gz JBVGOJIJANUIET-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO OC[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000086831785 135097875 /nfs/dbraw/zinc/09/78/75/135097875.db2.gz JBVGOJIJANUIET-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO Cn1cc(NC(=O)NCCCn2cc[nH+]c2)cn1 ZINC000078241577 135110581 /nfs/dbraw/zinc/11/05/81/135110581.db2.gz MMALBNVMAZHFPC-UHFFFAOYSA-N 1 2 248.290 0.828 20 0 BCADLO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)nc[nH+]1 ZINC000252845589 135112733 /nfs/dbraw/zinc/11/27/33/135112733.db2.gz CIDSLYHFXKXVQP-GARJFASQSA-N 1 2 219.288 0.992 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528479 135153686 /nfs/dbraw/zinc/15/36/86/135153686.db2.gz ORKZCOXOGJERAP-BYPYZUCNSA-N 1 2 214.162 0.365 20 0 BCADLO Nc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000261531770 135160838 /nfs/dbraw/zinc/16/08/38/135160838.db2.gz HUQDAJLVDDRIAW-RQJHMYQMSA-N 1 2 231.296 0.630 20 0 BCADLO Nc1ncc(C[N@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000261531770 135160840 /nfs/dbraw/zinc/16/08/40/135160840.db2.gz HUQDAJLVDDRIAW-RQJHMYQMSA-N 1 2 231.296 0.630 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)C[C@H](CO)O1 ZINC000261534475 135167203 /nfs/dbraw/zinc/16/72/03/135167203.db2.gz QZFUILUFCFPBFR-HTQZYQBOSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H](CO)O1 ZINC000261534475 135167205 /nfs/dbraw/zinc/16/72/05/135167205.db2.gz QZFUILUFCFPBFR-HTQZYQBOSA-N 1 2 243.332 0.307 20 0 BCADLO O=C(NCC(F)(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261548340 135186429 /nfs/dbraw/zinc/18/64/29/135186429.db2.gz NMVAPPJELDWRAO-SCSAIBSYSA-N 1 2 232.152 0.662 20 0 BCADLO COc1cc(OC)nc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000342411732 135266687 /nfs/dbraw/zinc/26/66/87/135266687.db2.gz IKBKGZAFDHEKMU-UHFFFAOYSA-N 1 2 249.274 0.853 20 0 BCADLO Cc1c[nH+]c(CN(C)CCCCO)n1C ZINC000342783551 135317297 /nfs/dbraw/zinc/31/72/97/135317297.db2.gz TUSYSFDTAUUKQQ-UHFFFAOYSA-N 1 2 211.309 0.933 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@H](C)C[S@@](C)=O)n1C ZINC000342780369 135317622 /nfs/dbraw/zinc/31/76/22/135317622.db2.gz PIZWEVCYCCOUAU-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@@H](C)C[S@](C)=O)n1C ZINC000342780368 135317756 /nfs/dbraw/zinc/31/77/56/135317756.db2.gz PIZWEVCYCCOUAU-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1c[nH+]c(CN(C)CC(=O)NC(C)C)n1C ZINC000342786747 135318083 /nfs/dbraw/zinc/31/80/83/135318083.db2.gz SYGVVJDYGAQVKM-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1c[nH+]c(CN2CCNC(=O)[C@@H]2C)n1C ZINC000342797036 135320887 /nfs/dbraw/zinc/32/08/87/135320887.db2.gz NEVAEPIFOULWKM-VIFPVBQESA-N 1 2 222.292 0.049 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@@H](CO)C2)n1C ZINC000342798651 135321113 /nfs/dbraw/zinc/32/11/13/135321113.db2.gz WWAKMKLIKUCVLH-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@H](O)C2)n1C ZINC000342797179 135321432 /nfs/dbraw/zinc/32/14/32/135321432.db2.gz FCIDIAOTMGJWDZ-JTQLQIEISA-N 1 2 209.293 0.685 20 0 BCADLO COCCN(CCOC)Cc1[nH+]cc(C)n1C ZINC000342801129 135321787 /nfs/dbraw/zinc/32/17/87/135321787.db2.gz VVLKIPMLTADTLC-UHFFFAOYSA-N 1 2 241.335 0.823 20 0 BCADLO O=C(NCc1ccncc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262901630 135323502 /nfs/dbraw/zinc/32/35/02/135323502.db2.gz DRBGBELYXZEQPE-SECBINFHSA-N 1 2 241.241 0.695 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cn[nH]c1 ZINC000262924072 135324143 /nfs/dbraw/zinc/32/41/43/135324143.db2.gz HFDYJZNNPJIALZ-SVRRBLITSA-N 1 2 244.245 0.584 20 0 BCADLO O=C(NCc1ccccn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262950715 135325137 /nfs/dbraw/zinc/32/51/37/135325137.db2.gz JOCZCWSYPYODLS-SECBINFHSA-N 1 2 241.241 0.695 20 0 BCADLO COCCN(CCO)Cc1[nH+]cc(C)n1C ZINC000342776786 135327919 /nfs/dbraw/zinc/32/79/19/135327919.db2.gz IBYLJTGZXJEMSH-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO COCC[N@H+](CCO)Cc1ncc(C)n1C ZINC000342776786 135327920 /nfs/dbraw/zinc/32/79/20/135327920.db2.gz IBYLJTGZXJEMSH-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO COCC[N@@H+](CCO)Cc1ncc(C)n1C ZINC000342776786 135327921 /nfs/dbraw/zinc/32/79/21/135327921.db2.gz IBYLJTGZXJEMSH-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263069993 135330456 /nfs/dbraw/zinc/33/04/56/135330456.db2.gz WJFUTRBYAMARJX-LURJTMIESA-N 1 2 230.218 0.356 20 0 BCADLO CO[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263162488 135336237 /nfs/dbraw/zinc/33/62/37/135336237.db2.gz DYTAMQZUNMUNGG-BDAKNGLRSA-N 1 2 248.273 0.621 20 0 BCADLO CCOC(=O)C(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000342931421 135337007 /nfs/dbraw/zinc/33/70/07/135337007.db2.gz YGOMURNRRJVISN-UHFFFAOYSA-N 1 2 239.275 0.615 20 0 BCADLO CCOC(=O)C(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000342931421 135337008 /nfs/dbraw/zinc/33/70/08/135337008.db2.gz YGOMURNRRJVISN-UHFFFAOYSA-N 1 2 239.275 0.615 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCOCC1 ZINC000334294175 135341400 /nfs/dbraw/zinc/34/14/00/135341400.db2.gz SEHYLJXEWBMMRV-SNVBAGLBSA-N 1 2 235.287 0.304 20 0 BCADLO COC[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263280392 135344199 /nfs/dbraw/zinc/34/41/99/135344199.db2.gz UENHMYWFECJUAA-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000334304085 135347778 /nfs/dbraw/zinc/34/77/78/135347778.db2.gz CGAFEYMZAKFFTI-UHFFFAOYSA-N 1 2 217.232 0.817 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1CC1 ZINC000334307206 135349282 /nfs/dbraw/zinc/34/92/82/135349282.db2.gz DEBOFOPWPOHZTA-ZYHUDNBSSA-N 1 2 238.331 0.718 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccon1 ZINC000334307666 135349812 /nfs/dbraw/zinc/34/98/12/135349812.db2.gz DXWMEDREFXRRPU-NXEZZACHSA-N 1 2 221.260 0.385 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccon1 ZINC000334307666 135349814 /nfs/dbraw/zinc/34/98/14/135349814.db2.gz DXWMEDREFXRRPU-NXEZZACHSA-N 1 2 221.260 0.385 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000334313540 135351684 /nfs/dbraw/zinc/35/16/84/135351684.db2.gz NOZQWUDAMHNTAQ-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000334313540 135351685 /nfs/dbraw/zinc/35/16/85/135351685.db2.gz NOZQWUDAMHNTAQ-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO CC1(C)CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000334320220 135352137 /nfs/dbraw/zinc/35/21/37/135352137.db2.gz VKILJCKGBBEXJT-UHFFFAOYSA-N 1 2 240.347 0.559 20 0 BCADLO CC(=O)N(C)CC(=O)Nc1cc[nH+]cc1C ZINC000334341964 135364252 /nfs/dbraw/zinc/36/42/52/135364252.db2.gz PCECTAFKTUUUCU-UHFFFAOYSA-N 1 2 221.260 0.229 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC1 ZINC000334345415 135365876 /nfs/dbraw/zinc/36/58/76/135365876.db2.gz OUNAJLDLCRWAOB-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC1 ZINC000334345415 135365877 /nfs/dbraw/zinc/36/58/77/135365877.db2.gz OUNAJLDLCRWAOB-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO C[C@@H]1C[N@H+](CCCO)CC[S@@](=O)C1 ZINC000306269524 135370368 /nfs/dbraw/zinc/37/03/68/135370368.db2.gz MQVKGXNPMYHLSG-NOZJJQNGSA-N 1 2 205.323 0.069 20 0 BCADLO C[C@@H]1C[N@@H+](CCCO)CC[S@@](=O)C1 ZINC000306269524 135370369 /nfs/dbraw/zinc/37/03/69/135370369.db2.gz MQVKGXNPMYHLSG-NOZJJQNGSA-N 1 2 205.323 0.069 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000334376419 135376365 /nfs/dbraw/zinc/37/63/65/135376365.db2.gz FEXHRZQLFYPRCI-JTQLQIEISA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000334376419 135376367 /nfs/dbraw/zinc/37/63/67/135376367.db2.gz FEXHRZQLFYPRCI-JTQLQIEISA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000334376420 135376426 /nfs/dbraw/zinc/37/64/26/135376426.db2.gz FEXHRZQLFYPRCI-SNVBAGLBSA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000334376420 135376428 /nfs/dbraw/zinc/37/64/28/135376428.db2.gz FEXHRZQLFYPRCI-SNVBAGLBSA-N 1 2 244.316 0.533 20 0 BCADLO Cc1cc(C)c(C(=O)NCc2[nH]cc[nH+]2)c(=O)[nH]1 ZINC000080587248 135381938 /nfs/dbraw/zinc/38/19/38/135381938.db2.gz CDKMMKSWIUWOPN-UHFFFAOYSA-N 1 2 246.270 0.645 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000299942181 135382965 /nfs/dbraw/zinc/38/29/65/135382965.db2.gz RYYAGSSQJPLFPC-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000299942181 135382967 /nfs/dbraw/zinc/38/29/67/135382967.db2.gz RYYAGSSQJPLFPC-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081561618 135386959 /nfs/dbraw/zinc/38/69/59/135386959.db2.gz COZQSAHMXMZOKK-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO O=C(C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081561624 135387908 /nfs/dbraw/zinc/38/79/08/135387908.db2.gz WHNKXGWFDUERBL-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334403437 135391653 /nfs/dbraw/zinc/39/16/53/135391653.db2.gz DUYRBPOSOSLUTN-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334403434 135391858 /nfs/dbraw/zinc/39/18/58/135391858.db2.gz DUYRBPOSOSLUTN-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CC1(C(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000078344618 135392916 /nfs/dbraw/zinc/39/29/16/135392916.db2.gz QAIZQLURVMQUAV-UHFFFAOYSA-N 1 2 240.347 0.703 20 0 BCADLO C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000334425463 135397123 /nfs/dbraw/zinc/39/71/23/135397123.db2.gz UPYAZECGZJENKT-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCOC ZINC000347731203 136004296 /nfs/dbraw/zinc/00/42/96/136004296.db2.gz XTWICWCQDNTDGW-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCOC ZINC000347731203 136004297 /nfs/dbraw/zinc/00/42/97/136004297.db2.gz XTWICWCQDNTDGW-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cnccc1CO ZINC000347695138 136006335 /nfs/dbraw/zinc/00/63/35/136006335.db2.gz HYVKHGAZEGMOPK-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)CSC)CCO1 ZINC000347699373 136007050 /nfs/dbraw/zinc/00/70/50/136007050.db2.gz WWODULGMYFRLNY-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)CSC)CCO1 ZINC000347699373 136007051 /nfs/dbraw/zinc/00/70/51/136007051.db2.gz WWODULGMYFRLNY-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2CC2)C1 ZINC000347894150 136015339 /nfs/dbraw/zinc/01/53/39/136015339.db2.gz VZAANFOGSWWSSU-LLVKDONJSA-N 1 2 225.336 0.149 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2CC2)C1 ZINC000347894150 136015340 /nfs/dbraw/zinc/01/53/40/136015340.db2.gz VZAANFOGSWWSSU-LLVKDONJSA-N 1 2 225.336 0.149 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCOC1 ZINC000347951718 136020277 /nfs/dbraw/zinc/02/02/77/136020277.db2.gz XUTQZFWFEZMDAJ-LLVKDONJSA-N 1 2 223.276 0.463 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCOC1 ZINC000348005650 136020752 /nfs/dbraw/zinc/02/07/52/136020752.db2.gz HJWCZEOJVOZDOH-PWSUYJOCSA-N 1 2 237.303 0.814 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C)COC2)C1 ZINC000335312850 136030439 /nfs/dbraw/zinc/03/04/39/136030439.db2.gz CKAGPRWUHSWBDM-JTQLQIEISA-N 1 2 249.314 0.773 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C)COC2)C1 ZINC000335312852 136030791 /nfs/dbraw/zinc/03/07/91/136030791.db2.gz CKAGPRWUHSWBDM-SNVBAGLBSA-N 1 2 249.314 0.773 20 0 BCADLO OC[C@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000348216726 136046433 /nfs/dbraw/zinc/04/64/33/136046433.db2.gz IAQZZPMFPVKWNE-NXEZZACHSA-N 1 2 211.265 0.039 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H](C)O1 ZINC000348218206 136046804 /nfs/dbraw/zinc/04/68/04/136046804.db2.gz QZZWWUKDPXFKHS-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H](C)O1 ZINC000348218206 136046805 /nfs/dbraw/zinc/04/68/05/136046805.db2.gz QZZWWUKDPXFKHS-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000348220245 136047079 /nfs/dbraw/zinc/04/70/79/136047079.db2.gz MTTAHEOIFUJXBX-QWRGUYRKSA-N 1 2 225.292 0.348 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000335326694 136052435 /nfs/dbraw/zinc/05/24/35/136052435.db2.gz PPOCLOWCETXEBB-LLVKDONJSA-N 1 2 230.283 0.279 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000335326694 136052436 /nfs/dbraw/zinc/05/24/36/136052436.db2.gz PPOCLOWCETXEBB-LLVKDONJSA-N 1 2 230.283 0.279 20 0 BCADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1C ZINC000348281977 136060043 /nfs/dbraw/zinc/06/00/43/136060043.db2.gz NTNDEGQNRBBTJB-RQJHMYQMSA-N 1 2 249.240 0.983 20 0 BCADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1C ZINC000348281977 136060044 /nfs/dbraw/zinc/06/00/44/136060044.db2.gz NTNDEGQNRBBTJB-RQJHMYQMSA-N 1 2 249.240 0.983 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn2c(n1)CCC2 ZINC000335356521 136061854 /nfs/dbraw/zinc/06/18/54/136061854.db2.gz NWKVUTDQBNYDGO-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CO1 ZINC000335348407 136067390 /nfs/dbraw/zinc/06/73/90/136067390.db2.gz KNQIKBHXXIHGIM-RKDXNWHRSA-N 1 2 238.291 0.397 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CO1 ZINC000335348401 136067713 /nfs/dbraw/zinc/06/77/13/136067713.db2.gz KNQIKBHXXIHGIM-BDAKNGLRSA-N 1 2 238.291 0.397 20 0 BCADLO CC[N@H+](Cc1c(C)cnn1C)[C@H]1CCNC1=O ZINC000348349326 136072138 /nfs/dbraw/zinc/07/21/38/136072138.db2.gz KDORGNWUACRDJP-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO CC[N@@H+](Cc1c(C)cnn1C)[C@H]1CCNC1=O ZINC000348349326 136072139 /nfs/dbraw/zinc/07/21/39/136072139.db2.gz KDORGNWUACRDJP-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)[nH]1 ZINC000348450995 136079047 /nfs/dbraw/zinc/07/90/47/136079047.db2.gz IEQQTTNPAZKDDK-RITPCOANSA-N 1 2 248.233 0.760 20 0 BCADLO C[C@H]1C[C@H](C(=O)N(C)Cc2[nH+]ccn2C)CO1 ZINC000335370123 136082862 /nfs/dbraw/zinc/08/28/62/136082862.db2.gz HDLRUJBNXDLPMW-UWVGGRQHSA-N 1 2 237.303 0.804 20 0 BCADLO CN(C(=O)[C@H]1CSC[NH2+]1)c1ccn(C)n1 ZINC000335373923 136084562 /nfs/dbraw/zinc/08/45/62/136084562.db2.gz DGXHJQVIEONBOA-SSDOTTSWSA-N 1 2 226.305 0.045 20 0 BCADLO Cn1ccc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000335393970 136091632 /nfs/dbraw/zinc/09/16/32/136091632.db2.gz FWBYYLMJMLEWNV-UHFFFAOYSA-N 1 2 208.265 0.777 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@@H]2COC[C@@H]2O)s1 ZINC000348631911 136105523 /nfs/dbraw/zinc/10/55/23/136105523.db2.gz GJTKEFJRFKKITJ-ZJUUUORDSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)s1 ZINC000348631911 136105524 /nfs/dbraw/zinc/10/55/24/136105524.db2.gz GJTKEFJRFKKITJ-ZJUUUORDSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@H]2COC[C@@H]2O)s1 ZINC000348631907 136105588 /nfs/dbraw/zinc/10/55/88/136105588.db2.gz GJTKEFJRFKKITJ-UWVGGRQHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@H]2COC[C@@H]2O)s1 ZINC000348631907 136105589 /nfs/dbraw/zinc/10/55/89/136105589.db2.gz GJTKEFJRFKKITJ-UWVGGRQHSA-N 1 2 242.344 0.897 20 0 BCADLO CCCCNC(=O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000348697225 136115802 /nfs/dbraw/zinc/11/58/02/136115802.db2.gz HQDPKZWTIHWAHS-UHFFFAOYSA-N 1 2 239.323 0.543 20 0 BCADLO CCCCNC(=O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000348697225 136115803 /nfs/dbraw/zinc/11/58/03/136115803.db2.gz HQDPKZWTIHWAHS-UHFFFAOYSA-N 1 2 239.323 0.543 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000336662129 171176814 /nfs/dbraw/zinc/17/68/14/171176814.db2.gz SPMLWRATIPJAEC-WCBMZHEXSA-N 1 2 203.282 0.953 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181452445 397806844 /nfs/dbraw/zinc/80/68/44/397806844.db2.gz PFCKVPYPOBIBFL-QWRGUYRKSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181452445 397806848 /nfs/dbraw/zinc/80/68/48/397806848.db2.gz PFCKVPYPOBIBFL-QWRGUYRKSA-N 1 2 238.335 0.798 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000181463090 397807183 /nfs/dbraw/zinc/80/71/83/397807183.db2.gz NAANSEGEHXBXMF-SECBINFHSA-N 1 2 217.309 0.936 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)CCC1=O ZINC000390357640 397886511 /nfs/dbraw/zinc/88/65/11/397886511.db2.gz LBIFCNSUGXXVAD-SNVBAGLBSA-N 1 2 219.288 0.930 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)CCC1=O ZINC000390357640 397886514 /nfs/dbraw/zinc/88/65/14/397886514.db2.gz LBIFCNSUGXXVAD-SNVBAGLBSA-N 1 2 219.288 0.930 20 0 BCADLO Cc1nc(N(C)Cc2nccs2)nc(N)[nH+]1 ZINC000387685336 397855885 /nfs/dbraw/zinc/85/58/85/397855885.db2.gz DNZXPRHPZAJHPY-UHFFFAOYSA-N 1 2 236.304 0.685 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2nccs2)[nH+]1 ZINC000387685336 397855888 /nfs/dbraw/zinc/85/58/88/397855888.db2.gz DNZXPRHPZAJHPY-UHFFFAOYSA-N 1 2 236.304 0.685 20 0 BCADLO COc1nn(C)cc1NCc1[nH+]ccn1C ZINC000309841617 397870735 /nfs/dbraw/zinc/87/07/35/397870735.db2.gz DNSNVNYGAFMCJQ-UHFFFAOYSA-N 1 2 221.264 0.774 20 0 BCADLO COCc1nnc(NCCn2cc[nH+]c2)s1 ZINC000309870265 397871514 /nfs/dbraw/zinc/87/15/14/397871514.db2.gz QIRRVXVCIAIIKF-UHFFFAOYSA-N 1 2 239.304 0.993 20 0 BCADLO COc1c(C)c[nH+]c(Cn2cnn(C)c2=O)c1C ZINC000271159695 397964842 /nfs/dbraw/zinc/96/48/42/397964842.db2.gz PIJODGXIOXROTQ-UHFFFAOYSA-N 1 2 248.286 0.651 20 0 BCADLO Nc1nc(N[C@H]2C[C@@H](O)C2)[nH+]c2ccccc12 ZINC000649550772 397942729 /nfs/dbraw/zinc/94/27/29/397942729.db2.gz HSANRBUUYSUYAO-OCAPTIKFSA-N 1 2 230.271 0.399 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)C(F)(F)F)c[nH+]1 ZINC000267268307 397945298 /nfs/dbraw/zinc/94/52/98/397945298.db2.gz VEGHOPBYSPGRJA-LURJTMIESA-N 1 2 237.181 0.371 20 0 BCADLO CO[C@@H]([C@H](C)Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000388280147 397955516 /nfs/dbraw/zinc/95/55/16/397955516.db2.gz KTLXNUGHAZELSN-RCOVLWMOSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@@H]([C@H](C)Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000388280147 397955519 /nfs/dbraw/zinc/95/55/19/397955519.db2.gz KTLXNUGHAZELSN-RCOVLWMOSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@H]([C@H](C)Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000388280143 397955542 /nfs/dbraw/zinc/95/55/42/397955542.db2.gz KTLXNUGHAZELSN-IMTBSYHQSA-N 1 2 237.307 0.240 20 0 BCADLO CO[C@H]([C@H](C)Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000388280143 397955544 /nfs/dbraw/zinc/95/55/44/397955544.db2.gz KTLXNUGHAZELSN-IMTBSYHQSA-N 1 2 237.307 0.240 20 0 BCADLO CC(=O)N1CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408163406 397957564 /nfs/dbraw/zinc/95/75/64/397957564.db2.gz DLNAARLOZIJIEM-VIFPVBQESA-N 1 2 249.270 0.016 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000649569316 397958857 /nfs/dbraw/zinc/95/88/57/397958857.db2.gz HUIBXJOBYHMHRT-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000649569316 397958859 /nfs/dbraw/zinc/95/88/59/397958859.db2.gz HUIBXJOBYHMHRT-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)CO ZINC000650182335 397959393 /nfs/dbraw/zinc/95/93/93/397959393.db2.gz XVNCVYKBFRDSBN-HTQZYQBOSA-N 1 2 211.252 0.563 20 0 BCADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)CO ZINC000650182335 397959397 /nfs/dbraw/zinc/95/93/97/397959397.db2.gz XVNCVYKBFRDSBN-HTQZYQBOSA-N 1 2 211.252 0.563 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000336448120 397903581 /nfs/dbraw/zinc/90/35/81/397903581.db2.gz MQGNJPRMLPMLGC-VIFPVBQESA-N 1 2 230.289 0.142 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000336448120 397903584 /nfs/dbraw/zinc/90/35/84/397903584.db2.gz MQGNJPRMLPMLGC-VIFPVBQESA-N 1 2 230.289 0.142 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111276080 397907177 /nfs/dbraw/zinc/90/71/77/397907177.db2.gz RYYYWKWIFMLVLX-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111276080 397907178 /nfs/dbraw/zinc/90/71/78/397907178.db2.gz RYYYWKWIFMLVLX-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO CCn1ccnc1C[N@H+](CC)CCOCCO ZINC000302318114 397911328 /nfs/dbraw/zinc/91/13/28/397911328.db2.gz DOMJLLFPSMPZDQ-UHFFFAOYSA-N 1 2 241.335 0.734 20 0 BCADLO CCn1ccnc1C[N@@H+](CC)CCOCCO ZINC000302318114 397911333 /nfs/dbraw/zinc/91/13/33/397911333.db2.gz DOMJLLFPSMPZDQ-UHFFFAOYSA-N 1 2 241.335 0.734 20 0 BCADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)nn1 ZINC000414381748 397918378 /nfs/dbraw/zinc/91/83/78/397918378.db2.gz MRAMWTUFIDIVFT-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)nn1 ZINC000414381748 397918384 /nfs/dbraw/zinc/91/83/84/397918384.db2.gz MRAMWTUFIDIVFT-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCO1 ZINC000382186809 397919388 /nfs/dbraw/zinc/91/93/88/397919388.db2.gz QAABZGKQYSSRJQ-DTWKUNHWSA-N 1 2 225.296 0.257 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCO1 ZINC000382186810 397919758 /nfs/dbraw/zinc/91/97/58/397919758.db2.gz QAABZGKQYSSRJQ-IUCAKERBSA-N 1 2 225.296 0.257 20 0 BCADLO CC[N@H+](Cc1cc2n(n1)CCC2)[C@H]1CCNC1=O ZINC000649599608 397991215 /nfs/dbraw/zinc/99/12/15/397991215.db2.gz GSSARUVPCOCPMK-LBPRGKRZSA-N 1 2 248.330 0.540 20 0 BCADLO CC[N@@H+](Cc1cc2n(n1)CCC2)[C@H]1CCNC1=O ZINC000649599608 397991218 /nfs/dbraw/zinc/99/12/18/397991218.db2.gz GSSARUVPCOCPMK-LBPRGKRZSA-N 1 2 248.330 0.540 20 0 BCADLO CCN1CC[N@H+](CCC(=O)OC)[C@H](C)C1=O ZINC000261086728 397991588 /nfs/dbraw/zinc/99/15/88/397991588.db2.gz UESNUIIAEGZZPT-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)OC)[C@H](C)C1=O ZINC000261086728 397991592 /nfs/dbraw/zinc/99/15/92/397991592.db2.gz UESNUIIAEGZZPT-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CN(C)C(=O)C1([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000649629632 398010792 /nfs/dbraw/zinc/01/07/92/398010792.db2.gz LYHGWTBRRMYCCW-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)CC2(CCCC2)O1 ZINC000646131799 398020056 /nfs/dbraw/zinc/02/00/56/398020056.db2.gz JSIVBGATFOQTSB-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)CC2(CCCC2)O1 ZINC000646131799 398020058 /nfs/dbraw/zinc/02/00/58/398020058.db2.gz JSIVBGATFOQTSB-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H](C)O1 ZINC000408195746 398026325 /nfs/dbraw/zinc/02/63/25/398026325.db2.gz UKPJIXAXGUWIDT-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H](C)O1 ZINC000408195746 398026330 /nfs/dbraw/zinc/02/63/30/398026330.db2.gz UKPJIXAXGUWIDT-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO Cc1cnc(-c2noc(C[NH+](C)C)n2)nc1 ZINC000277755282 398033570 /nfs/dbraw/zinc/03/35/70/398033570.db2.gz CSHQORMBILDMNV-UHFFFAOYSA-N 1 2 219.248 0.897 20 0 BCADLO COC[C@H]([NH2+]CC(F)(F)CO)C1CC1 ZINC000184707797 398050560 /nfs/dbraw/zinc/05/05/60/398050560.db2.gz MZXHDLVDWIUWKT-QMMMGPOBSA-N 1 2 209.236 0.629 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000365200132 398037446 /nfs/dbraw/zinc/03/74/46/398037446.db2.gz VNAHOUIEDSOZTK-JTQLQIEISA-N 1 2 240.347 0.698 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000649586834 397976038 /nfs/dbraw/zinc/97/60/38/397976038.db2.gz RLPJNWAHCULTAW-UHFFFAOYSA-N 1 2 234.303 0.007 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)C(=O)OC ZINC000362021851 397978124 /nfs/dbraw/zinc/97/81/24/397978124.db2.gz ZXSXXNSUHNNXNR-GMTAPVOTSA-N 1 2 245.319 0.722 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)C(=O)OC ZINC000362021854 397978649 /nfs/dbraw/zinc/97/86/49/397978649.db2.gz ZXSXXNSUHNNXNR-HBNTYKKESA-N 1 2 245.319 0.722 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000649589392 397981087 /nfs/dbraw/zinc/98/10/87/397981087.db2.gz QYJYXFOISAQGKZ-NSHDSACASA-N 1 2 248.330 0.490 20 0 BCADLO Cc1cncc(CC[N@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000649589392 397981089 /nfs/dbraw/zinc/98/10/89/397981089.db2.gz QYJYXFOISAQGKZ-NSHDSACASA-N 1 2 248.330 0.490 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000389308749 398069915 /nfs/dbraw/zinc/06/99/15/398069915.db2.gz PZHDYEFKOYJSRO-UHFFFAOYSA-N 1 2 236.250 0.950 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307691400 398070050 /nfs/dbraw/zinc/07/00/50/398070050.db2.gz PRIXZPAWINQXNM-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO CO[C@H](C)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307691400 398070055 /nfs/dbraw/zinc/07/00/55/398070055.db2.gz PRIXZPAWINQXNM-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000649731807 398071048 /nfs/dbraw/zinc/07/10/48/398071048.db2.gz NEPJTJYEVFEPEX-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000649731807 398071050 /nfs/dbraw/zinc/07/10/50/398071050.db2.gz NEPJTJYEVFEPEX-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000284133793 398077383 /nfs/dbraw/zinc/07/73/83/398077383.db2.gz PUPPPDSHQOKKBO-SNVBAGLBSA-N 1 2 222.292 0.558 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000284133793 398077384 /nfs/dbraw/zinc/07/73/84/398077384.db2.gz PUPPPDSHQOKKBO-SNVBAGLBSA-N 1 2 222.292 0.558 20 0 BCADLO CC[C@@H](CCO)Nc1nc(C)[nH+]c(N)n1 ZINC000389374772 398079417 /nfs/dbraw/zinc/07/94/17/398079417.db2.gz NTQXVPQCKJVSIK-ZETCQYMHSA-N 1 2 211.269 0.165 20 0 BCADLO CC[C@@H](CCO)Nc1nc(N)nc(C)[nH+]1 ZINC000389374772 398079418 /nfs/dbraw/zinc/07/94/18/398079418.db2.gz NTQXVPQCKJVSIK-ZETCQYMHSA-N 1 2 211.269 0.165 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000291563183 398094863 /nfs/dbraw/zinc/09/48/63/398094863.db2.gz XASBXOCXLSFIDQ-RKDXNWHRSA-N 1 2 211.265 0.423 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C)cn1 ZINC000649744758 398082512 /nfs/dbraw/zinc/08/25/12/398082512.db2.gz NDUZSYBGVYJWNJ-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C)cn1 ZINC000649744758 398082514 /nfs/dbraw/zinc/08/25/14/398082514.db2.gz NDUZSYBGVYJWNJ-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000291568610 398095369 /nfs/dbraw/zinc/09/53/69/398095369.db2.gz NSZAUOQBHGDXPN-QWRGUYRKSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000291568610 398095373 /nfs/dbraw/zinc/09/53/73/398095373.db2.gz NSZAUOQBHGDXPN-QWRGUYRKSA-N 1 2 239.319 0.954 20 0 BCADLO CCc1cc(C(=O)NCCn2cc[nH+]c2)[nH]n1 ZINC000193046199 398085676 /nfs/dbraw/zinc/08/56/76/398085676.db2.gz QUEWYAABALCEFL-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO CC[N@H+](Cc1ncnn1C)[C@@H]1CCCOC1 ZINC000649757394 398087437 /nfs/dbraw/zinc/08/74/37/398087437.db2.gz MPWSOCWQEQZYOK-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)[C@@H]1CCCOC1 ZINC000649757394 398087440 /nfs/dbraw/zinc/08/74/40/398087440.db2.gz MPWSOCWQEQZYOK-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO COCC[C@H]1COCCN1Cc1c[nH+]cn1C ZINC000291109972 398088808 /nfs/dbraw/zinc/08/88/08/398088808.db2.gz SOTMXQZJMNKUAR-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141724 398089497 /nfs/dbraw/zinc/08/94/97/398089497.db2.gz VSFXRYCUARFAOT-ZYHUDNBSSA-N 1 2 243.303 0.429 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cscn1 ZINC000649761335 398089364 /nfs/dbraw/zinc/08/93/64/398089364.db2.gz UTNFGGPZQROTPG-NXEZZACHSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cscn1 ZINC000649761335 398089368 /nfs/dbraw/zinc/08/93/68/398089368.db2.gz UTNFGGPZQROTPG-NXEZZACHSA-N 1 2 228.317 0.725 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141724 398089502 /nfs/dbraw/zinc/08/95/02/398089502.db2.gz VSFXRYCUARFAOT-ZYHUDNBSSA-N 1 2 243.303 0.429 20 0 BCADLO CCC[C@@]1([NH2+]Cc2nnn(C)n2)CCOC1 ZINC000309486850 398051894 /nfs/dbraw/zinc/05/18/94/398051894.db2.gz VRIFLIDGIIKNGD-SNVBAGLBSA-N 1 2 225.296 0.259 20 0 BCADLO CCn1ccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000648778348 398115866 /nfs/dbraw/zinc/11/58/66/398115866.db2.gz VNZPRGVHTCBSBI-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000194284774 398118140 /nfs/dbraw/zinc/11/81/40/398118140.db2.gz IFUXHLJXAZIOFT-MRVPVSSYSA-N 1 2 239.323 0.646 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCCCO1 ZINC000245908457 398119601 /nfs/dbraw/zinc/11/96/01/398119601.db2.gz NUGRMRJRNPABAR-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCCO1 ZINC000245908457 398119602 /nfs/dbraw/zinc/11/96/02/398119602.db2.gz NUGRMRJRNPABAR-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(O)CCOC1 ZINC000620316786 398109233 /nfs/dbraw/zinc/10/92/33/398109233.db2.gz IDXAXQHVIWNQKO-GFCCVEGCSA-N 1 2 247.254 0.424 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214633 398130999 /nfs/dbraw/zinc/13/09/99/398130999.db2.gz LOLKQIZBBVMKLG-VHSXEESVSA-N 1 2 235.287 0.351 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649821951 398123406 /nfs/dbraw/zinc/12/34/06/398123406.db2.gz VCTDHJSIBUKCRY-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649821951 398123408 /nfs/dbraw/zinc/12/34/08/398123408.db2.gz VCTDHJSIBUKCRY-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000385090660 398132913 /nfs/dbraw/zinc/13/29/13/398132913.db2.gz LCTKVJVKTGIFST-WCBMZHEXSA-N 1 2 208.261 0.533 20 0 BCADLO Cc1cnccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295117590 398133337 /nfs/dbraw/zinc/13/33/37/398133337.db2.gz WYSHISHFVAATFN-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cnccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295117590 398133339 /nfs/dbraw/zinc/13/33/39/398133339.db2.gz WYSHISHFVAATFN-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000547863486 398133475 /nfs/dbraw/zinc/13/34/75/398133475.db2.gz GYYVKEFFAITUDG-IUCAKERBSA-N 1 2 207.277 0.735 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2nnnn2C)C1 ZINC000408369622 398134666 /nfs/dbraw/zinc/13/46/66/398134666.db2.gz ZSOUXZKAWIECHA-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408369622 398134670 /nfs/dbraw/zinc/13/46/70/398134670.db2.gz ZSOUXZKAWIECHA-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000179726063 167049640 /nfs/dbraw/zinc/04/96/40/167049640.db2.gz FQNKUZOWRCDFHD-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000179726063 167049642 /nfs/dbraw/zinc/04/96/42/167049642.db2.gz FQNKUZOWRCDFHD-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO CC(C)NS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000272191959 167127642 /nfs/dbraw/zinc/12/76/42/167127642.db2.gz MLBAWCVDKAQTST-SECBINFHSA-N 1 2 246.336 0.104 20 0 BCADLO CC(C)(CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000119741112 487560605 /nfs/dbraw/zinc/56/06/05/487560605.db2.gz IGJMBUPIZMQOMV-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CCO[C@H]1C1CC1 ZINC000680312949 487560611 /nfs/dbraw/zinc/56/06/11/487560611.db2.gz UJBUQSVMIJTKFO-STQMWFEESA-N 1 2 249.314 0.957 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCn1cncn1 ZINC000268342946 167167791 /nfs/dbraw/zinc/16/77/91/167167791.db2.gz LLSSKPLFMBAAEB-SNVBAGLBSA-N 1 2 240.307 0.550 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCn1cncn1 ZINC000268342946 167167798 /nfs/dbraw/zinc/16/77/98/167167798.db2.gz LLSSKPLFMBAAEB-SNVBAGLBSA-N 1 2 240.307 0.550 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000685618629 487565696 /nfs/dbraw/zinc/56/56/96/487565696.db2.gz LZAAJLJDEYRCEZ-JQWIXIFHSA-N 1 2 238.335 0.527 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000680343611 487570214 /nfs/dbraw/zinc/57/02/14/487570214.db2.gz IFUPSRJTJHWJTM-WPRPVWTQSA-N 1 2 207.277 0.735 20 0 BCADLO CC(=O)CCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000669718542 487573771 /nfs/dbraw/zinc/57/37/71/487573771.db2.gz MGPJOFTXYNXPQG-UHFFFAOYSA-N 1 2 235.287 0.877 20 0 BCADLO CC(C)OC1CC[NH+](Cc2nnnn2C)CC1 ZINC000530926795 322898749 /nfs/dbraw/zinc/89/87/49/322898749.db2.gz UICXBLGSEIPQEP-UHFFFAOYSA-N 1 2 239.323 0.600 20 0 BCADLO CCOc1nc(C(=O)Nc2cc[nH+]cc2O)co1 ZINC000680370644 487575901 /nfs/dbraw/zinc/57/59/01/487575901.db2.gz JCFIEVVFCYGGGS-UHFFFAOYSA-N 1 2 249.226 0.848 20 0 BCADLO CC(C)n1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464433 487579244 /nfs/dbraw/zinc/57/92/44/487579244.db2.gz DBSSAIHMGZXNQM-TXEJJXNPSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464433 487579250 /nfs/dbraw/zinc/57/92/50/487579250.db2.gz DBSSAIHMGZXNQM-TXEJJXNPSA-N 1 2 239.319 0.392 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@]1(C)CCOC1)CC2 ZINC000680400533 487586770 /nfs/dbraw/zinc/58/67/70/487586770.db2.gz XDMMJMCDHSDAIM-CYBMUJFWSA-N 1 2 249.314 0.960 20 0 BCADLO Nc1cc(CN2CC[C@H](O)C(F)(F)C2)cc[nH+]1 ZINC000661408182 487595727 /nfs/dbraw/zinc/59/57/27/487595727.db2.gz PSEBVEXPRFALPN-VIFPVBQESA-N 1 2 243.257 0.866 20 0 BCADLO O=C(Cc1cc[nH]n1)N1CC(n2cc[nH+]c2)C1 ZINC000531301464 487600726 /nfs/dbraw/zinc/60/07/26/487600726.db2.gz KRIDLJGZFHSMQJ-UHFFFAOYSA-N 1 2 231.259 0.232 20 0 BCADLO O=C(Cc1ccn[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000531301464 487600728 /nfs/dbraw/zinc/60/07/28/487600728.db2.gz KRIDLJGZFHSMQJ-UHFFFAOYSA-N 1 2 231.259 0.232 20 0 BCADLO OCCN(c1cc(-n2cc[nH+]c2)ncn1)C1CC1 ZINC000674747247 487610461 /nfs/dbraw/zinc/61/04/61/487610461.db2.gz MEYACUOOUITYDA-UHFFFAOYSA-N 1 2 245.286 0.623 20 0 BCADLO C[C@H](O)C[N@H+](CC(F)F)CC1(C)COC1 ZINC000660738095 409683854 /nfs/dbraw/zinc/68/38/54/409683854.db2.gz OYXYLIWINKJDHB-QMMMGPOBSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H](O)C[N@@H+](CC(F)F)CC1(C)COC1 ZINC000660738095 409683864 /nfs/dbraw/zinc/68/38/64/409683864.db2.gz OYXYLIWINKJDHB-QMMMGPOBSA-N 1 2 223.263 0.971 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000660763281 409725335 /nfs/dbraw/zinc/72/53/35/409725335.db2.gz SDCWYOHNELHLBG-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000660763281 409725338 /nfs/dbraw/zinc/72/53/38/409725338.db2.gz SDCWYOHNELHLBG-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO CC[C@H]([NH2+]C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000662467026 409725977 /nfs/dbraw/zinc/72/59/77/409725977.db2.gz MDAMEVQPZODYIZ-QMMMGPOBSA-N 1 2 233.275 0.894 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@](O)(CO)C2)s1 ZINC000660776983 409735692 /nfs/dbraw/zinc/73/56/92/409735692.db2.gz QVFGPAUJILXQMX-SNVBAGLBSA-N 1 2 243.332 0.166 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@](O)(CO)C2)s1 ZINC000660776983 409735698 /nfs/dbraw/zinc/73/56/98/409735698.db2.gz QVFGPAUJILXQMX-SNVBAGLBSA-N 1 2 243.332 0.166 20 0 BCADLO COCC1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000655252625 409753999 /nfs/dbraw/zinc/75/39/99/409753999.db2.gz RHNWFWPZZGAMAM-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1(C)COC1 ZINC000660844588 409843084 /nfs/dbraw/zinc/84/30/84/409843084.db2.gz QBSWVMRDQQVKLU-UHFFFAOYSA-N 1 2 213.237 0.244 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1(C)COC1 ZINC000660844588 409843091 /nfs/dbraw/zinc/84/30/91/409843091.db2.gz QBSWVMRDQQVKLU-UHFFFAOYSA-N 1 2 213.237 0.244 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000660819427 409789144 /nfs/dbraw/zinc/78/91/44/409789144.db2.gz HSRCXQYZLKUKMI-GHMZBOCLSA-N 1 2 234.303 0.935 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752418 487611284 /nfs/dbraw/zinc/61/12/84/487611284.db2.gz RIIUJUXKKRHQNK-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752418 487611288 /nfs/dbraw/zinc/61/12/88/487611288.db2.gz RIIUJUXKKRHQNK-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3c(n2)CCC3)nn1 ZINC000651972999 409958278 /nfs/dbraw/zinc/95/82/78/409958278.db2.gz BWVBILGWTZHPTC-UHFFFAOYSA-N 1 2 243.314 0.989 20 0 BCADLO COc1ccc(CN(C)Cc2c[nH+]c[nH]2)nn1 ZINC000661089951 410158056 /nfs/dbraw/zinc/15/80/56/410158056.db2.gz KFKVOOOWMPDGMQ-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1ccc(CN(C)Cc2c[nH]c[nH+]2)nn1 ZINC000661089951 410158061 /nfs/dbraw/zinc/15/80/61/410158061.db2.gz KFKVOOOWMPDGMQ-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401397 410205581 /nfs/dbraw/zinc/20/55/81/410205581.db2.gz VMLLXOXNRRSNTK-SFYZADRCSA-N 1 2 238.291 0.502 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165534 410314503 /nfs/dbraw/zinc/31/45/03/410314503.db2.gz VSWGAVRAENLEEY-GFCCVEGCSA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165534 410314508 /nfs/dbraw/zinc/31/45/08/410314508.db2.gz VSWGAVRAENLEEY-GFCCVEGCSA-N 1 2 226.320 0.576 20 0 BCADLO C[NH+](C)[C@H](CNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000650766329 410417579 /nfs/dbraw/zinc/41/75/79/410417579.db2.gz DXJOHOVYLZXSFU-GFCCVEGCSA-N 1 2 249.314 0.954 20 0 BCADLO COc1c(N)[nH+]cnc1NC/C=C/CO ZINC000664237064 410523699 /nfs/dbraw/zinc/52/36/99/410523699.db2.gz QBUQSQIGYWEOGF-NSCUHMNNSA-N 1 2 210.237 0.028 20 0 BCADLO COc1c(N)nc[nH+]c1NC/C=C/CO ZINC000664237064 410523706 /nfs/dbraw/zinc/52/37/06/410523706.db2.gz QBUQSQIGYWEOGF-NSCUHMNNSA-N 1 2 210.237 0.028 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCOc3ccccc3C2)C(=O)N1 ZINC000653279952 410631939 /nfs/dbraw/zinc/63/19/39/410631939.db2.gz NGZWVXAXOYKAFP-SNVBAGLBSA-N 1 2 246.266 0.296 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCOc3ccccc3C2)C(=O)N1 ZINC000653279952 410631947 /nfs/dbraw/zinc/63/19/47/410631947.db2.gz NGZWVXAXOYKAFP-SNVBAGLBSA-N 1 2 246.266 0.296 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@@H+](CCc1cnn[nH]1)C2 ZINC000661490399 410703951 /nfs/dbraw/zinc/70/39/51/410703951.db2.gz GGAWUNSFVYQZOZ-TXEJJXNPSA-N 1 2 236.319 0.706 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@H+](CCc1cnn[nH]1)C2 ZINC000661490399 410703953 /nfs/dbraw/zinc/70/39/53/410703953.db2.gz GGAWUNSFVYQZOZ-TXEJJXNPSA-N 1 2 236.319 0.706 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661490533 410704567 /nfs/dbraw/zinc/70/45/67/410704567.db2.gz NMNZHYMPZNZZRR-PHIMTYICSA-N 1 2 238.291 0.369 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661490533 410704572 /nfs/dbraw/zinc/70/45/72/410704572.db2.gz NMNZHYMPZNZZRR-PHIMTYICSA-N 1 2 238.291 0.369 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CCO ZINC000661498930 410710164 /nfs/dbraw/zinc/71/01/64/410710164.db2.gz NMBPESCAQZRZGX-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CCO ZINC000661498930 410710168 /nfs/dbraw/zinc/71/01/68/410710168.db2.gz NMBPESCAQZRZGX-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000361809935 410739496 /nfs/dbraw/zinc/73/94/96/410739496.db2.gz BBJYDKMIDCDEMU-SECBINFHSA-N 1 2 218.260 1.060 20 0 BCADLO C[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177757697 410813789 /nfs/dbraw/zinc/81/37/89/410813789.db2.gz XMZXLRRYHNVSRM-SECBINFHSA-N 1 2 248.286 0.514 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336675878 167025889 /nfs/dbraw/zinc/02/58/89/167025889.db2.gz AJBNIGSAYYVNOL-TUAOUCFPSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336675878 167025887 /nfs/dbraw/zinc/02/58/87/167025887.db2.gz AJBNIGSAYYVNOL-TUAOUCFPSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328894776 167026151 /nfs/dbraw/zinc/02/61/51/167026151.db2.gz VVBUKZQRBWMFDY-ZJUUUORDSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328894776 167026154 /nfs/dbraw/zinc/02/61/54/167026154.db2.gz VVBUKZQRBWMFDY-ZJUUUORDSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CCC1 ZINC000332010927 167045484 /nfs/dbraw/zinc/04/54/84/167045484.db2.gz DAAWALLTZNVKOT-UHFFFAOYSA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CCC1 ZINC000332010927 167045486 /nfs/dbraw/zinc/04/54/86/167045486.db2.gz DAAWALLTZNVKOT-UHFFFAOYSA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363440 167054943 /nfs/dbraw/zinc/05/49/43/167054943.db2.gz HYXMOCWQNWHASP-AOOOYVTPSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363440 167054946 /nfs/dbraw/zinc/05/49/46/167054946.db2.gz HYXMOCWQNWHASP-AOOOYVTPSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000336259931 167071092 /nfs/dbraw/zinc/07/10/92/167071092.db2.gz VZVLFRXDWYQPFS-IUCAKERBSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000336259931 167071094 /nfs/dbraw/zinc/07/10/94/167071094.db2.gz VZVLFRXDWYQPFS-IUCAKERBSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259930 167072156 /nfs/dbraw/zinc/07/21/56/167072156.db2.gz VZVLFRXDWYQPFS-DTWKUNHWSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000336259930 167072158 /nfs/dbraw/zinc/07/21/58/167072158.db2.gz VZVLFRXDWYQPFS-DTWKUNHWSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336442398 167082782 /nfs/dbraw/zinc/08/27/82/167082782.db2.gz VWIIPBVWKDRJDA-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO CC(C)NC(=S)NCC[NH+]1CCOCC1 ZINC000028580064 167092345 /nfs/dbraw/zinc/09/23/45/167092345.db2.gz YFOJDXXJQJCBPF-UHFFFAOYSA-N 1 2 231.365 0.191 20 0 BCADLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)n1cncn1 ZINC000565601602 322927858 /nfs/dbraw/zinc/92/78/58/322927858.db2.gz ZQVTYPHEGYTKJE-MRVPVSSYSA-N 1 2 248.290 0.614 20 0 BCADLO CCn1ccc(CC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000651310865 410916470 /nfs/dbraw/zinc/91/64/70/410916470.db2.gz XONFQAIGFUYNSX-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CC(C)ONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000295951446 167277603 /nfs/dbraw/zinc/27/76/03/167277603.db2.gz MGYJSQYNCGOTDV-SECBINFHSA-N 1 2 226.280 0.911 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276531356 167390565 /nfs/dbraw/zinc/39/05/65/167390565.db2.gz DYMIVGZPYDQCJB-PGLGOXFNSA-N 1 2 237.303 0.946 20 0 BCADLO CC[N@@H+]1CCO[C@H](CNCc2conc2C)C1 ZINC000397890122 410935966 /nfs/dbraw/zinc/93/59/66/410935966.db2.gz LSFWTPWNAQBCOP-GFCCVEGCSA-N 1 2 239.319 0.793 20 0 BCADLO CC[N@H+]1CCO[C@H](CNCc2conc2C)C1 ZINC000397890122 410935975 /nfs/dbraw/zinc/93/59/75/410935975.db2.gz LSFWTPWNAQBCOP-GFCCVEGCSA-N 1 2 239.319 0.793 20 0 BCADLO CCn1ccc(CC(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000651427233 411015248 /nfs/dbraw/zinc/01/52/48/411015248.db2.gz OGGQZPPZTCKAEB-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO CCN1C[C@@H](CNc2cc[nH+]c(C)n2)CC1=O ZINC000651422874 411009191 /nfs/dbraw/zinc/00/91/91/411009191.db2.gz PLUHYYHCONZNBU-SNVBAGLBSA-N 1 2 234.303 0.487 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c[nH+]c2C)on1 ZINC000651427285 411014928 /nfs/dbraw/zinc/01/49/28/411014928.db2.gz ROYQFJLBAAQFDJ-UHFFFAOYSA-N 1 2 234.259 0.873 20 0 BCADLO Cc1nnsc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000661615093 411059468 /nfs/dbraw/zinc/05/94/68/411059468.db2.gz WNQMKVMXXXUGJZ-SECBINFHSA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nnsc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661615093 411059471 /nfs/dbraw/zinc/05/94/71/411059471.db2.gz WNQMKVMXXXUGJZ-SECBINFHSA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399869502 411067225 /nfs/dbraw/zinc/06/72/25/411067225.db2.gz SYBHDXCSCURHBC-QMMMGPOBSA-N 1 2 229.305 0.040 20 0 BCADLO Cc1nnsc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399869502 411067231 /nfs/dbraw/zinc/06/72/31/411067231.db2.gz SYBHDXCSCURHBC-QMMMGPOBSA-N 1 2 229.305 0.040 20 0 BCADLO CCOCCCNC(=O)NCCn1cc[nH+]c1 ZINC000043024404 411069124 /nfs/dbraw/zinc/06/91/24/411069124.db2.gz UAADVUPDCSZIEL-UHFFFAOYSA-N 1 2 240.307 0.609 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2CCOC2)o1 ZINC000106883511 411130680 /nfs/dbraw/zinc/13/06/80/411130680.db2.gz YMZXWYWZFAOGFB-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2CCOC2)o1 ZINC000106883511 411130682 /nfs/dbraw/zinc/13/06/82/411130682.db2.gz YMZXWYWZFAOGFB-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047717393 411163229 /nfs/dbraw/zinc/16/32/29/411163229.db2.gz BSMGDLSCVGSFOO-UHFFFAOYSA-N 1 2 234.303 0.979 20 0 BCADLO Cc1cccn2cc(CN(C)CC(N)=O)[nH+]c12 ZINC000045945064 411150438 /nfs/dbraw/zinc/15/04/38/411150438.db2.gz FHJGMUWQCTZBTM-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)on1 ZINC000653637497 411154172 /nfs/dbraw/zinc/15/41/72/411154172.db2.gz KWOAJWOTHZAAEJ-IONNQARKSA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)on1 ZINC000653637497 411154174 /nfs/dbraw/zinc/15/41/74/411154174.db2.gz KWOAJWOTHZAAEJ-IONNQARKSA-N 1 2 224.260 0.832 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cocn1 ZINC000651950473 411160928 /nfs/dbraw/zinc/16/09/28/411160928.db2.gz ZYPNRRUFUQMGLB-NXEZZACHSA-N 1 2 212.249 0.256 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cocn1 ZINC000651950473 411160931 /nfs/dbraw/zinc/16/09/31/411160931.db2.gz ZYPNRRUFUQMGLB-NXEZZACHSA-N 1 2 212.249 0.256 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000110688169 411117893 /nfs/dbraw/zinc/11/78/93/411117893.db2.gz SJDMEUONIVEBHC-SNVBAGLBSA-N 1 2 234.303 0.374 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000110688169 411117896 /nfs/dbraw/zinc/11/78/96/411117896.db2.gz SJDMEUONIVEBHC-SNVBAGLBSA-N 1 2 234.303 0.374 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777143 411172127 /nfs/dbraw/zinc/17/21/27/411172127.db2.gz OATQQHAUOQAYFU-IEBDPFPHSA-N 1 2 235.287 0.697 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777143 411172130 /nfs/dbraw/zinc/17/21/30/411172130.db2.gz OATQQHAUOQAYFU-IEBDPFPHSA-N 1 2 235.287 0.697 20 0 BCADLO Cc1nc(C[NH+](CCO)CCO)c(C)o1 ZINC000659879654 411177859 /nfs/dbraw/zinc/17/78/59/411177859.db2.gz WXQIYWVEPVABEK-UHFFFAOYSA-N 1 2 214.265 0.078 20 0 BCADLO COc1c(C)[nH+]cnc1N1CCC[C@H](O)C1 ZINC000656103917 411178861 /nfs/dbraw/zinc/17/88/61/411178861.db2.gz TXIXOQKKCZQVEO-VIFPVBQESA-N 1 2 223.276 0.755 20 0 BCADLO Nc1[nH+]cnc(NC2COCCOC2)c1Cl ZINC000309593555 411179048 /nfs/dbraw/zinc/17/90/48/411179048.db2.gz HSBPCLNAKHMPNE-UHFFFAOYSA-N 1 2 244.682 0.540 20 0 BCADLO Nc1nc[nH+]c(NC2COCCOC2)c1Cl ZINC000309593555 411179049 /nfs/dbraw/zinc/17/90/49/411179049.db2.gz HSBPCLNAKHMPNE-UHFFFAOYSA-N 1 2 244.682 0.540 20 0 BCADLO c1c[nH+]c(CN2CCn3nncc3C2)[nH]1 ZINC000653794259 411180783 /nfs/dbraw/zinc/18/07/83/411180783.db2.gz MXCYGZHUERWMFY-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCn3nncc3C2)n1 ZINC000653794259 411180787 /nfs/dbraw/zinc/18/07/87/411180787.db2.gz MXCYGZHUERWMFY-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO c1c[nH]c(C[N@H+]2CCn3nncc3C2)n1 ZINC000653794259 411180790 /nfs/dbraw/zinc/18/07/90/411180790.db2.gz MXCYGZHUERWMFY-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO Cc1c(C[N@@H+]2CCn3nncc3C2)cnn1C ZINC000653794248 411180863 /nfs/dbraw/zinc/18/08/63/411180863.db2.gz LIQGIQQTRPRHOT-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1c(C[N@H+]2CCn3nncc3C2)cnn1C ZINC000653794248 411180866 /nfs/dbraw/zinc/18/08/66/411180866.db2.gz LIQGIQQTRPRHOT-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@H](O)C1CC1 ZINC000656139970 411185037 /nfs/dbraw/zinc/18/50/37/411185037.db2.gz LZUMINCOPMMDIN-QMMMGPOBSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@H](O)C1CC1 ZINC000656139970 411185039 /nfs/dbraw/zinc/18/50/39/411185039.db2.gz LZUMINCOPMMDIN-QMMMGPOBSA-N 1 2 238.291 0.275 20 0 BCADLO OCC(F)(F)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657978131 411186765 /nfs/dbraw/zinc/18/67/65/411186765.db2.gz IMVMSHJRATVXRM-MRVPVSSYSA-N 1 2 221.247 0.915 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@]1(O)CCOC1 ZINC000656151144 411187032 /nfs/dbraw/zinc/18/70/32/411187032.db2.gz BVNGIXZJWBQNND-LLVKDONJSA-N 1 2 239.275 0.357 20 0 BCADLO COC[C@@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000656152094 411187439 /nfs/dbraw/zinc/18/74/39/411187439.db2.gz JQJLKFQBTUPCNW-VIFPVBQESA-N 1 2 241.291 0.603 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@H](CO)C1 ZINC000656178360 411193770 /nfs/dbraw/zinc/19/37/70/411193770.db2.gz WONOTQDITDGQAS-SFYZADRCSA-N 1 2 238.291 0.132 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)[C@H](CO)C1 ZINC000656178360 411193772 /nfs/dbraw/zinc/19/37/72/411193772.db2.gz WONOTQDITDGQAS-SFYZADRCSA-N 1 2 238.291 0.132 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](F)C1 ZINC000656194590 411201899 /nfs/dbraw/zinc/20/18/99/411201899.db2.gz LOKSBJGXNLXXGW-LURJTMIESA-N 1 2 212.228 0.616 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](F)C1 ZINC000656194590 411201900 /nfs/dbraw/zinc/20/19/00/411201900.db2.gz LOKSBJGXNLXXGW-LURJTMIESA-N 1 2 212.228 0.616 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000655762293 411203260 /nfs/dbraw/zinc/20/32/60/411203260.db2.gz VZOJZKDIWKPCKC-SFYZADRCSA-N 1 2 227.337 0.584 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](CO)CCF ZINC000656202886 411205743 /nfs/dbraw/zinc/20/57/43/411205743.db2.gz BGIRTTMJSREYPM-ZCFIWIBFSA-N 1 2 230.243 0.200 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](CO)CCF ZINC000656202886 411205750 /nfs/dbraw/zinc/20/57/50/411205750.db2.gz BGIRTTMJSREYPM-ZCFIWIBFSA-N 1 2 230.243 0.200 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCCO1 ZINC000653875686 411205938 /nfs/dbraw/zinc/20/59/38/411205938.db2.gz YIFROCNYFJAFEH-DTWKUNHWSA-N 1 2 240.307 0.948 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](CO)CCF ZINC000656202825 411206377 /nfs/dbraw/zinc/20/63/77/411206377.db2.gz AIEMMFTXAWQVCN-QMMMGPOBSA-N 1 2 229.255 0.926 20 0 BCADLO Cc1cc(N[C@@H]2CCc3c(nnn3C)C2)nc[nH+]1 ZINC000656219702 411212316 /nfs/dbraw/zinc/21/23/16/411212316.db2.gz YKXOINVUJSSUMK-SECBINFHSA-N 1 2 244.302 0.883 20 0 BCADLO Cc1noc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653895984 411213633 /nfs/dbraw/zinc/21/36/33/411213633.db2.gz JRHZSNRGBTZAGX-SSDOTTSWSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653895984 411213635 /nfs/dbraw/zinc/21/36/35/411213635.db2.gz JRHZSNRGBTZAGX-SSDOTTSWSA-N 1 2 211.265 0.723 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000653901954 411215700 /nfs/dbraw/zinc/21/57/00/411215700.db2.gz HDXJCEXHFIWYIU-MRVPVSSYSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000653901954 411215704 /nfs/dbraw/zinc/21/57/04/411215704.db2.gz HDXJCEXHFIWYIU-MRVPVSSYSA-N 1 2 240.307 0.481 20 0 BCADLO O[C@H]1CCC[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000656434145 411246446 /nfs/dbraw/zinc/24/64/46/411246446.db2.gz POUITLVIJZJGEL-MNOVXSKESA-N 1 2 233.275 0.609 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cn(C)nn1)C1CC1 ZINC000653902334 411217690 /nfs/dbraw/zinc/21/76/90/411217690.db2.gz QIKVHCQTNGSCKB-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cn(C)nn1)C1CC1 ZINC000653902334 411217691 /nfs/dbraw/zinc/21/76/91/411217691.db2.gz QIKVHCQTNGSCKB-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)C(N)=O ZINC000656259165 411219350 /nfs/dbraw/zinc/21/93/50/411219350.db2.gz YRODKAWCDDXBTO-MRVPVSSYSA-N 1 2 222.292 0.183 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000656267965 411222388 /nfs/dbraw/zinc/22/23/88/411222388.db2.gz PLFMJLITESQRGK-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO C=Cn1cc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000656267965 411222389 /nfs/dbraw/zinc/22/23/89/411222389.db2.gz PLFMJLITESQRGK-UHFFFAOYSA-N 1 2 230.275 0.591 20 0 BCADLO OCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656435644 411246957 /nfs/dbraw/zinc/24/69/57/411246957.db2.gz GBTPXBMQHDWYBS-UHFFFAOYSA-N 1 2 242.348 0.209 20 0 BCADLO Cc1cccc(-n2cc(C[N@H+](C)CCO)nn2)c1 ZINC000656435393 411246979 /nfs/dbraw/zinc/24/69/79/411246979.db2.gz RGLXVPSTPJZFSC-UHFFFAOYSA-N 1 2 246.314 1.000 20 0 BCADLO Cc1cccc(-n2cc(C[N@@H+](C)CCO)nn2)c1 ZINC000656435393 411246983 /nfs/dbraw/zinc/24/69/83/411246983.db2.gz RGLXVPSTPJZFSC-UHFFFAOYSA-N 1 2 246.314 1.000 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc2n(n1)CCCC2 ZINC000658054343 411223876 /nfs/dbraw/zinc/22/38/76/411223876.db2.gz DEIUIRGJNNFSFC-KOLCDFICSA-N 1 2 248.330 0.759 20 0 BCADLO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000655784903 411225006 /nfs/dbraw/zinc/22/50/06/411225006.db2.gz HLLPTMNGZQQABA-GZMMTYOYSA-N 1 2 227.308 0.766 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C3CCC3)CC2)C1 ZINC000652868367 411232562 /nfs/dbraw/zinc/23/25/62/411232562.db2.gz AGGGMTNFXTUJGP-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C3CCC3)CC2)C1 ZINC000652868367 411232564 /nfs/dbraw/zinc/23/25/64/411232564.db2.gz AGGGMTNFXTUJGP-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCCO)c1 ZINC000656368928 411236974 /nfs/dbraw/zinc/23/69/74/411236974.db2.gz GXDXGAZUWLHVDK-CYBMUJFWSA-N 1 2 248.326 0.850 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCCO)c1 ZINC000656368928 411236977 /nfs/dbraw/zinc/23/69/77/411236977.db2.gz GXDXGAZUWLHVDK-CYBMUJFWSA-N 1 2 248.326 0.850 20 0 BCADLO C[C@H]([NH3+])CNC(=O)c1cc(F)c(F)c(O)c1F ZINC000111302058 411166441 /nfs/dbraw/zinc/16/64/41/411166441.db2.gz QKAYLIMBWASAQT-BYPYZUCNSA-N 1 2 248.204 0.887 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)CO1 ZINC000652772503 411167745 /nfs/dbraw/zinc/16/77/45/411167745.db2.gz OFKWFDZCAUBGHI-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655710840 411263778 /nfs/dbraw/zinc/26/37/78/411263778.db2.gz DPYBPGARBIGLOQ-UHFFFAOYSA-N 1 2 236.319 0.445 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCCCF)nn1 ZINC000656457582 411266795 /nfs/dbraw/zinc/26/67/95/411266795.db2.gz ORBQLIPUMRYYOV-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCCCF)nn1 ZINC000656457582 411266798 /nfs/dbraw/zinc/26/67/98/411266798.db2.gz ORBQLIPUMRYYOV-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](COC)C2CC2)n1 ZINC000658157489 411271069 /nfs/dbraw/zinc/27/10/69/411271069.db2.gz BMECJXOSNYHDLI-VIFPVBQESA-N 1 2 240.307 0.466 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](COC)C2CC2)[nH]1 ZINC000658157489 411271072 /nfs/dbraw/zinc/27/10/72/411271072.db2.gz BMECJXOSNYHDLI-VIFPVBQESA-N 1 2 240.307 0.466 20 0 BCADLO CN(C)[C@@H](C(=O)NC1CC=CC1)c1c[nH+]cn1C ZINC000652898227 411271485 /nfs/dbraw/zinc/27/14/85/411271485.db2.gz RLLKOTVHIOCLOI-GFCCVEGCSA-N 1 2 248.330 0.858 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(N)[nH+]1 ZINC000403058211 411274286 /nfs/dbraw/zinc/27/42/86/411274286.db2.gz GFHNRYOYAZYHTC-BBBLOLIVSA-N 1 2 233.319 1.032 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000403058211 411274291 /nfs/dbraw/zinc/27/42/91/411274291.db2.gz GFHNRYOYAZYHTC-BBBLOLIVSA-N 1 2 233.319 1.032 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)nc(N)[nH+]1 ZINC000403058213 411274504 /nfs/dbraw/zinc/27/45/04/411274504.db2.gz GFHNRYOYAZYHTC-KXUCPTDWSA-N 1 2 233.319 1.032 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000403058213 411274505 /nfs/dbraw/zinc/27/45/05/411274505.db2.gz GFHNRYOYAZYHTC-KXUCPTDWSA-N 1 2 233.319 1.032 20 0 BCADLO Nc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000328698477 411274653 /nfs/dbraw/zinc/27/46/53/411274653.db2.gz VBJSIDHGVGAFLG-PHIMTYICSA-N 1 2 235.287 0.263 20 0 BCADLO Nc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000328698477 411274654 /nfs/dbraw/zinc/27/46/54/411274654.db2.gz VBJSIDHGVGAFLG-PHIMTYICSA-N 1 2 235.287 0.263 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC/C=C/CO ZINC000656472627 411277169 /nfs/dbraw/zinc/27/71/69/411277169.db2.gz LYFKHOPTEPFXAK-NSCUHMNNSA-N 1 2 219.248 0.324 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC23CCCC3)C1 ZINC000652574920 411278917 /nfs/dbraw/zinc/27/89/17/411278917.db2.gz GGJKSOLJNVTDFC-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC23CCCC3)C1 ZINC000652574920 411278919 /nfs/dbraw/zinc/27/89/19/411278919.db2.gz GGJKSOLJNVTDFC-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1nc(N2CCC[C@H]2C[C@@H](C)O)nc(N)[nH+]1 ZINC000631179465 411283186 /nfs/dbraw/zinc/28/31/86/411283186.db2.gz SMZKJMCUCLGDBM-APPZFPTMSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]2C[C@@H](C)O)[nH+]1 ZINC000631179465 411283190 /nfs/dbraw/zinc/28/31/90/411283190.db2.gz SMZKJMCUCLGDBM-APPZFPTMSA-N 1 2 237.307 0.502 20 0 BCADLO CCc1nc(C(=O)NCc2ccc(N)[nH+]c2)no1 ZINC000428314453 411283302 /nfs/dbraw/zinc/28/33/02/411283302.db2.gz UVSMELCSCCSZRE-UHFFFAOYSA-N 1 2 247.258 0.539 20 0 BCADLO Cc1nc(N2CCC[C@H]2C[C@H](C)O)nc(N)[nH+]1 ZINC000631179466 411283335 /nfs/dbraw/zinc/28/33/35/411283335.db2.gz SMZKJMCUCLGDBM-CBAPKCEASA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]2C[C@H](C)O)[nH+]1 ZINC000631179466 411283336 /nfs/dbraw/zinc/28/33/36/411283336.db2.gz SMZKJMCUCLGDBM-CBAPKCEASA-N 1 2 237.307 0.502 20 0 BCADLO CC(C)Cn1cc[nH+]c1CN=c1nc[nH]n1C ZINC000653466306 411284892 /nfs/dbraw/zinc/28/48/92/411284892.db2.gz CONKHPQRNYGLCT-UHFFFAOYSA-N 1 2 234.307 0.702 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1C[C@H]1C1CC1 ZINC000565903456 411294756 /nfs/dbraw/zinc/29/47/56/411294756.db2.gz GVPHUNCLHMWFCX-IUCAKERBSA-N 1 2 234.303 1.525 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1C[C@H]1C1CC1 ZINC000565903456 411294757 /nfs/dbraw/zinc/29/47/57/411294757.db2.gz GVPHUNCLHMWFCX-IUCAKERBSA-N 1 2 234.303 1.525 20 0 BCADLO CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000656544380 411299470 /nfs/dbraw/zinc/29/94/70/411299470.db2.gz YZANWKJESDMWHX-DTWKUNHWSA-N 1 2 215.297 0.025 20 0 BCADLO CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000656544380 411299472 /nfs/dbraw/zinc/29/94/72/411299472.db2.gz YZANWKJESDMWHX-DTWKUNHWSA-N 1 2 215.297 0.025 20 0 BCADLO CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000656544382 411299482 /nfs/dbraw/zinc/29/94/82/411299482.db2.gz YZANWKJESDMWHX-RKDXNWHRSA-N 1 2 215.297 0.025 20 0 BCADLO CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000656544382 411299483 /nfs/dbraw/zinc/29/94/83/411299483.db2.gz YZANWKJESDMWHX-RKDXNWHRSA-N 1 2 215.297 0.025 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000661743313 411300027 /nfs/dbraw/zinc/30/00/27/411300027.db2.gz FZTZGCWBRQFLPE-NSHDSACASA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000661743313 411300030 /nfs/dbraw/zinc/30/00/30/411300030.db2.gz FZTZGCWBRQFLPE-NSHDSACASA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 ZINC000656563433 411302526 /nfs/dbraw/zinc/30/25/26/411302526.db2.gz RHPCZOFVHMOVNT-ZETCQYMHSA-N 1 2 237.263 0.885 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc2c(n1)CCC2 ZINC000656569055 411303954 /nfs/dbraw/zinc/30/39/54/411303954.db2.gz WTUVSBYMLLTHHN-UHFFFAOYSA-N 1 2 233.315 0.878 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc2c(n1)CCC2 ZINC000656569055 411303957 /nfs/dbraw/zinc/30/39/57/411303957.db2.gz WTUVSBYMLLTHHN-UHFFFAOYSA-N 1 2 233.315 0.878 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2ccccn2)C1=O ZINC000660240799 411304053 /nfs/dbraw/zinc/30/40/53/411304053.db2.gz AAVOTXWAQLKGOA-KOLCDFICSA-N 1 2 235.287 0.895 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)cn1 ZINC000653755815 411330800 /nfs/dbraw/zinc/33/08/00/411330800.db2.gz GMMHKZIPBBKAND-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)cn1 ZINC000653755815 411330801 /nfs/dbraw/zinc/33/08/01/411330801.db2.gz GMMHKZIPBBKAND-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660558679 411319219 /nfs/dbraw/zinc/31/92/19/411319219.db2.gz YHKVZIDGFONFCJ-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660558679 411319220 /nfs/dbraw/zinc/31/92/20/411319220.db2.gz YHKVZIDGFONFCJ-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H](C)O1 ZINC000661853430 411320472 /nfs/dbraw/zinc/32/04/72/411320472.db2.gz SHEMSQIKXDYMIC-ZJUUUORDSA-N 1 2 224.308 0.847 20 0 BCADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H](C)O1 ZINC000661853430 411320477 /nfs/dbraw/zinc/32/04/77/411320477.db2.gz SHEMSQIKXDYMIC-ZJUUUORDSA-N 1 2 224.308 0.847 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc2ccccc2n1 ZINC000659839413 411322038 /nfs/dbraw/zinc/32/20/38/411322038.db2.gz WSUXKZQRSBSBAZ-UHFFFAOYSA-N 1 2 244.298 0.808 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000659839413 411322040 /nfs/dbraw/zinc/32/20/40/411322040.db2.gz WSUXKZQRSBSBAZ-UHFFFAOYSA-N 1 2 244.298 0.808 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)on1 ZINC000653750706 411323508 /nfs/dbraw/zinc/32/35/08/411323508.db2.gz OZPQKAXTPZGVDG-RDDDGLTNSA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)on1 ZINC000653750706 411323509 /nfs/dbraw/zinc/32/35/09/411323509.db2.gz OZPQKAXTPZGVDG-RDDDGLTNSA-N 1 2 224.260 0.832 20 0 BCADLO OC1(C[NH+]2CC(F)C2)CCSCC1 ZINC000656700787 411325946 /nfs/dbraw/zinc/32/59/46/411325946.db2.gz ZVSLMHWWWQIRHS-UHFFFAOYSA-N 1 2 205.298 0.898 20 0 BCADLO COCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000656443762 411252129 /nfs/dbraw/zinc/25/21/29/411252129.db2.gz BMRWNVWFUSKPDL-UHFFFAOYSA-N 1 2 228.296 0.003 20 0 BCADLO COCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000656443762 411252131 /nfs/dbraw/zinc/25/21/31/411252131.db2.gz BMRWNVWFUSKPDL-UHFFFAOYSA-N 1 2 228.296 0.003 20 0 BCADLO C[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCNC1=O ZINC000660134811 411252489 /nfs/dbraw/zinc/25/24/89/411252489.db2.gz SVSSNXRQMZHFLG-LLVKDONJSA-N 1 2 235.287 0.872 20 0 BCADLO C[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1CCNC1=O ZINC000660134811 411252491 /nfs/dbraw/zinc/25/24/91/411252491.db2.gz SVSSNXRQMZHFLG-LLVKDONJSA-N 1 2 235.287 0.872 20 0 BCADLO Cc1[nH]c2ccc(-n3cc(CCO)nn3)cc2[nH+]1 ZINC000656439136 411256189 /nfs/dbraw/zinc/25/61/89/411256189.db2.gz KFYAYTLUWRFXTG-UHFFFAOYSA-N 1 2 243.270 0.987 20 0 BCADLO Cc1[nH]c2cc(-n3cc(CCO)nn3)ccc2[nH+]1 ZINC000656439136 411256191 /nfs/dbraw/zinc/25/61/91/411256191.db2.gz KFYAYTLUWRFXTG-UHFFFAOYSA-N 1 2 243.270 0.987 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033755 411349837 /nfs/dbraw/zinc/34/98/37/411349837.db2.gz LBKFXVHRKGCACM-VHSXEESVSA-N 1 2 222.292 0.316 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033755 411349842 /nfs/dbraw/zinc/34/98/42/411349842.db2.gz LBKFXVHRKGCACM-VHSXEESVSA-N 1 2 222.292 0.316 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038194 411352398 /nfs/dbraw/zinc/35/23/98/411352398.db2.gz VRBHTPHHMABMMC-UWVGGRQHSA-N 1 2 222.292 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038194 411352404 /nfs/dbraw/zinc/35/24/04/411352404.db2.gz VRBHTPHHMABMMC-UWVGGRQHSA-N 1 2 222.292 0.581 20 0 BCADLO CCc1cc(NCc2nc(N(C)C)n[nH]2)nc[nH+]1 ZINC000641680975 411372900 /nfs/dbraw/zinc/37/29/00/411372900.db2.gz XEYSUAFFIKOUAQ-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCc2nccnc2C1 ZINC000662122436 411363931 /nfs/dbraw/zinc/36/39/31/411363931.db2.gz KKFINHGIFPXRAT-LLVKDONJSA-N 1 2 232.287 0.113 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCc2nccnc2C1 ZINC000662122436 411363933 /nfs/dbraw/zinc/36/39/33/411363933.db2.gz KKFINHGIFPXRAT-LLVKDONJSA-N 1 2 232.287 0.113 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)c1 ZINC000660277904 411364127 /nfs/dbraw/zinc/36/41/27/411364127.db2.gz WQZITWDYRMZSNT-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1cnc(C[N@H+]2CCCC[C@]2(C)C(N)=O)c1 ZINC000660277904 411364128 /nfs/dbraw/zinc/36/41/28/411364128.db2.gz WQZITWDYRMZSNT-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1nc(NCCc2nnc3n2CCC3)cc[nH+]1 ZINC000578410230 411374282 /nfs/dbraw/zinc/37/42/82/411374282.db2.gz RONOPVAMLLVYRV-UHFFFAOYSA-N 1 2 244.302 0.977 20 0 BCADLO COC[C@H](C[N@@H+]1CCn2cncc2C1)OC ZINC000660583672 411337807 /nfs/dbraw/zinc/33/78/07/411337807.db2.gz LNWMSWQWRWRNTM-NSHDSACASA-N 1 2 225.292 0.360 20 0 BCADLO COC[C@H](C[N@H+]1CCn2cncc2C1)OC ZINC000660583672 411337810 /nfs/dbraw/zinc/33/78/10/411337810.db2.gz LNWMSWQWRWRNTM-NSHDSACASA-N 1 2 225.292 0.360 20 0 BCADLO COC[C@H](CN1CCn2c[nH+]cc2C1)OC ZINC000660583672 411337812 /nfs/dbraw/zinc/33/78/12/411337812.db2.gz LNWMSWQWRWRNTM-NSHDSACASA-N 1 2 225.292 0.360 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661971798 411339615 /nfs/dbraw/zinc/33/96/15/411339615.db2.gz OLQSBXCWMPRFJD-RKDXNWHRSA-N 1 2 222.292 0.977 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661971798 411339620 /nfs/dbraw/zinc/33/96/20/411339620.db2.gz OLQSBXCWMPRFJD-RKDXNWHRSA-N 1 2 222.292 0.977 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000129633107 167994849 /nfs/dbraw/zinc/99/48/49/167994849.db2.gz CHVGGSYEFCRCMC-VHSXEESVSA-N 1 2 237.303 0.549 20 0 BCADLO CC1(C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000281672264 168001998 /nfs/dbraw/zinc/00/19/98/168001998.db2.gz TVCWUMQDJUBQTO-ZJUUUORDSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000281672264 168002001 /nfs/dbraw/zinc/00/20/01/168002001.db2.gz TVCWUMQDJUBQTO-ZJUUUORDSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1csnn1 ZINC000307188050 168007230 /nfs/dbraw/zinc/00/72/30/168007230.db2.gz QMPLKEOQUCGSPZ-MRVPVSSYSA-N 1 2 213.306 0.883 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1Cc1csnn1 ZINC000307188050 168007233 /nfs/dbraw/zinc/00/72/33/168007233.db2.gz QMPLKEOQUCGSPZ-MRVPVSSYSA-N 1 2 213.306 0.883 20 0 BCADLO CC1(C[N@H+](CCO)CC(F)F)COC1 ZINC000336672237 168021505 /nfs/dbraw/zinc/02/15/05/168021505.db2.gz LPQUPDDKQLKNCZ-UHFFFAOYSA-N 1 2 209.236 0.582 20 0 BCADLO CC1(C[N@@H+](CCO)CC(F)F)COC1 ZINC000336672237 168021509 /nfs/dbraw/zinc/02/15/09/168021509.db2.gz LPQUPDDKQLKNCZ-UHFFFAOYSA-N 1 2 209.236 0.582 20 0 BCADLO CC1(C[NH+]2CCS(=O)CC2)COC1 ZINC000336648962 168027214 /nfs/dbraw/zinc/02/72/14/168027214.db2.gz GUMJSIHPXRMOQG-UHFFFAOYSA-N 1 2 203.307 0.087 20 0 BCADLO Cc1cnc(C)nc1NCc1c[nH+]cn1C ZINC000582615951 411379998 /nfs/dbraw/zinc/37/99/98/411379998.db2.gz GLGIYLQLSWGQSF-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917627 411381370 /nfs/dbraw/zinc/38/13/70/411381370.db2.gz HPILCHWGEZDLKK-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917627 411381372 /nfs/dbraw/zinc/38/13/72/411381372.db2.gz HPILCHWGEZDLKK-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000330825508 168197869 /nfs/dbraw/zinc/19/78/69/168197869.db2.gz FQXDGUIXYMTNFY-JTQLQIEISA-N 1 2 228.292 0.982 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000330825508 168197870 /nfs/dbraw/zinc/19/78/70/168197870.db2.gz FQXDGUIXYMTNFY-JTQLQIEISA-N 1 2 228.292 0.982 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000376534848 168202065 /nfs/dbraw/zinc/20/20/65/168202065.db2.gz XEVVGPRUNZBCRK-SNVBAGLBSA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000376534848 168202067 /nfs/dbraw/zinc/20/20/67/168202067.db2.gz XEVVGPRUNZBCRK-SNVBAGLBSA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000106803195 168224729 /nfs/dbraw/zinc/22/47/29/168224729.db2.gz MZUIXIJMKXRYJV-LBPRGKRZSA-N 1 2 239.363 0.635 20 0 BCADLO CCC(=O)N[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000109835349 168238429 /nfs/dbraw/zinc/23/84/29/168238429.db2.gz RHTWKOOQGPEDOT-SNVBAGLBSA-N 1 2 236.319 0.900 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C)nsc1C ZINC000653493023 411383513 /nfs/dbraw/zinc/38/35/13/411383513.db2.gz HKROKELLHYAAMP-UHFFFAOYSA-N 1 2 227.333 0.938 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000134160655 168240292 /nfs/dbraw/zinc/24/02/92/168240292.db2.gz YXMMEKUZODQRRT-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000134160655 168240296 /nfs/dbraw/zinc/24/02/96/168240296.db2.gz YXMMEKUZODQRRT-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C)nsc1C ZINC000653493023 411383516 /nfs/dbraw/zinc/38/35/16/411383516.db2.gz HKROKELLHYAAMP-UHFFFAOYSA-N 1 2 227.333 0.938 20 0 BCADLO COC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000055372545 411397914 /nfs/dbraw/zinc/39/79/14/411397914.db2.gz NHSMXMBJDKPJMI-UHFFFAOYSA-N 1 2 239.275 0.724 20 0 BCADLO O=C1OC[C@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000492457147 411399244 /nfs/dbraw/zinc/39/92/44/411399244.db2.gz ODTUCIGXLFYWTG-MRVPVSSYSA-N 1 2 214.240 0.625 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000492457147 411399246 /nfs/dbraw/zinc/39/92/46/411399246.db2.gz ODTUCIGXLFYWTG-MRVPVSSYSA-N 1 2 214.240 0.625 20 0 BCADLO CCn1ccc(CC(=O)Nc2ccc(N)[nH+]c2)n1 ZINC000653048485 411404307 /nfs/dbraw/zinc/40/43/07/411404307.db2.gz DAXBGQRRXQKJHS-UHFFFAOYSA-N 1 2 245.286 0.892 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000263689103 411410785 /nfs/dbraw/zinc/41/07/85/411410785.db2.gz HWCNVPGTHRXFLW-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO FC1(F)C[C@@H]1OCC[NH+]1CCOCC1 ZINC000659814907 411462106 /nfs/dbraw/zinc/46/21/06/411462106.db2.gz XLCGZHOLUQYILH-QMMMGPOBSA-N 1 2 207.220 0.743 20 0 BCADLO Cc1ccnc(N(C)CC[NH+]2CCOCC2)n1 ZINC000265552161 411417138 /nfs/dbraw/zinc/41/71/38/411417138.db2.gz QQULIUQZLKKJKM-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000268205468 411421799 /nfs/dbraw/zinc/42/17/99/411421799.db2.gz ISVDJFIRPYBKGD-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000268205468 411421805 /nfs/dbraw/zinc/42/18/05/411421805.db2.gz ISVDJFIRPYBKGD-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)on1 ZINC000653595458 411431714 /nfs/dbraw/zinc/43/17/14/411431714.db2.gz JEZOSTSDHFWACT-RDDDGLTNSA-N 1 2 224.260 0.690 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)on1 ZINC000653595458 411431718 /nfs/dbraw/zinc/43/17/18/411431718.db2.gz JEZOSTSDHFWACT-RDDDGLTNSA-N 1 2 224.260 0.690 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c[nH]ccc1=O ZINC000654699697 411432169 /nfs/dbraw/zinc/43/21/69/411432169.db2.gz OAQQWPWOVJDNHU-MRVPVSSYSA-N 1 2 246.270 0.915 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c[nH]ccc1=O ZINC000654699697 411432173 /nfs/dbraw/zinc/43/21/73/411432173.db2.gz OAQQWPWOVJDNHU-MRVPVSSYSA-N 1 2 246.270 0.915 20 0 BCADLO COCCOCCOCCCn1cc[nH+]c1 ZINC000657254788 411435832 /nfs/dbraw/zinc/43/58/32/411435832.db2.gz CSEXUNQVLKAEEL-UHFFFAOYSA-N 1 2 228.292 0.953 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)NC(N)=O ZINC000654757768 411440321 /nfs/dbraw/zinc/44/03/21/411440321.db2.gz JBQNWBNECFZISH-MRVPVSSYSA-N 1 2 236.275 0.197 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@H](O)C(C)(C)C2)C1=O ZINC000660374207 411443905 /nfs/dbraw/zinc/44/39/05/411443905.db2.gz UWJBSYWPDAGXBA-ZJUUUORDSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@H](O)C(C)(C)C2)C1=O ZINC000660374207 411443906 /nfs/dbraw/zinc/44/39/06/411443906.db2.gz UWJBSYWPDAGXBA-ZJUUUORDSA-N 1 2 242.319 0.242 20 0 BCADLO COC[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000660376368 411445721 /nfs/dbraw/zinc/44/57/21/411445721.db2.gz MWRHIXHOIUPWNG-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1c[nH+]c[nH]1 ZINC000654819581 411450678 /nfs/dbraw/zinc/45/06/78/411450678.db2.gz RPSCCHQYGGHKPB-SNVBAGLBSA-N 1 2 211.265 0.435 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1c[nH]c[nH+]1 ZINC000654819581 411450682 /nfs/dbraw/zinc/45/06/82/411450682.db2.gz RPSCCHQYGGHKPB-SNVBAGLBSA-N 1 2 211.265 0.435 20 0 BCADLO CNC(=O)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632869 411452030 /nfs/dbraw/zinc/45/20/30/411452030.db2.gz FCALEZKMMBMZNH-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632869 411452032 /nfs/dbraw/zinc/45/20/32/411452032.db2.gz FCALEZKMMBMZNH-MRVPVSSYSA-N 1 2 236.262 0.215 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657292264 411452794 /nfs/dbraw/zinc/45/27/94/411452794.db2.gz LAINJJIHJSVPOJ-UHFFFAOYSA-N 1 2 236.319 0.445 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000657291685 411453465 /nfs/dbraw/zinc/45/34/65/411453465.db2.gz ZUFJNUSSXVLIJA-VIFPVBQESA-N 1 2 239.323 0.697 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000654840183 411453490 /nfs/dbraw/zinc/45/34/90/411453490.db2.gz YQCXLCSDKWTCJU-PHIMTYICSA-N 1 2 241.335 0.557 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000654840183 411453492 /nfs/dbraw/zinc/45/34/92/411453492.db2.gz YQCXLCSDKWTCJU-PHIMTYICSA-N 1 2 241.335 0.557 20 0 BCADLO CC[N@H+](Cc1cncs1)[C@@H]1CCNC1=O ZINC000281833610 411453977 /nfs/dbraw/zinc/45/39/77/411453977.db2.gz SGNWKNMCULIZAD-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CC[N@@H+](Cc1cncs1)[C@@H]1CCNC1=O ZINC000281833610 411453981 /nfs/dbraw/zinc/45/39/81/411453981.db2.gz SGNWKNMCULIZAD-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO O=C(C[NH+]1CCCCC1)Nc1cnccn1 ZINC000659834004 411467844 /nfs/dbraw/zinc/46/78/44/411467844.db2.gz QALDOCHXYSFVSF-UHFFFAOYSA-N 1 2 220.276 0.901 20 0 BCADLO CN1C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CC1=O ZINC000657342194 411469617 /nfs/dbraw/zinc/46/96/17/411469617.db2.gz UDBZPHHHCNXTES-SECBINFHSA-N 1 2 249.318 0.323 20 0 BCADLO Cc1cc(NCc2[nH]cc(C)[nH+]2)n(CCO)n1 ZINC000657343759 411469896 /nfs/dbraw/zinc/46/98/96/411469896.db2.gz RASFTQIVYYVDHN-UHFFFAOYSA-N 1 2 235.291 0.827 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(CO)CCC2)C1 ZINC000654997702 411472397 /nfs/dbraw/zinc/47/23/97/411472397.db2.gz LUFRYBAYOPNCOJ-UHFFFAOYSA-N 1 2 240.347 0.607 20 0 BCADLO CCOC[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655009459 411475446 /nfs/dbraw/zinc/47/54/46/411475446.db2.gz FFFROAHNHBLTEA-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NC2CCCC2)n1 ZINC000657356763 411477936 /nfs/dbraw/zinc/47/79/36/411477936.db2.gz NREZNNWRPDCXSX-UHFFFAOYSA-N 1 2 236.319 0.867 20 0 BCADLO COc1ccnc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000655052262 411485399 /nfs/dbraw/zinc/48/53/99/411485399.db2.gz FCEVJGDICFEZOE-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO CCc1cc(NCc2n[nH]c(=O)[nH]2)cc[nH+]1 ZINC000307776075 411485730 /nfs/dbraw/zinc/48/57/30/411485730.db2.gz TXXNZPSLGMOAHD-UHFFFAOYSA-N 1 2 219.248 0.668 20 0 BCADLO Cc1[nH]c(CN[C@@H]2CCCN(C)C2=O)[nH+]c1C ZINC000657387353 411489823 /nfs/dbraw/zinc/48/98/23/411489823.db2.gz OOVIRRLVONELPM-SNVBAGLBSA-N 1 2 236.319 0.737 20 0 BCADLO COCCc1nsc(N2CC[NH+](C)CC2)n1 ZINC000301516920 411493423 /nfs/dbraw/zinc/49/34/23/411493423.db2.gz GPEIGCMNZWZJIG-UHFFFAOYSA-N 1 2 242.348 0.479 20 0 BCADLO CC[C@@H](O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657398621 411494956 /nfs/dbraw/zinc/49/49/56/411494956.db2.gz OAICSVQAEQIBFC-SECBINFHSA-N 1 2 241.339 0.679 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccon1 ZINC000657399247 411495236 /nfs/dbraw/zinc/49/52/36/411495236.db2.gz IJWYHSVGNUJSLM-YUMQZZPRSA-N 1 2 239.300 0.803 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccon1 ZINC000657399247 411495239 /nfs/dbraw/zinc/49/52/39/411495239.db2.gz IJWYHSVGNUJSLM-YUMQZZPRSA-N 1 2 239.300 0.803 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cnccn1 ZINC000655125157 411500161 /nfs/dbraw/zinc/50/01/61/411500161.db2.gz UYBXYDAYGFHQQH-SNVBAGLBSA-N 1 2 248.330 0.996 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]Cc2ncn(C)n2)CO1 ZINC000657422555 411502793 /nfs/dbraw/zinc/50/27/93/411502793.db2.gz XONBVTOAHPMFBQ-IUCAKERBSA-N 1 2 210.281 0.472 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)[C@@H]1CCN(C)C1=O ZINC000659942977 411506468 /nfs/dbraw/zinc/50/64/68/411506468.db2.gz GZKVGLHFWZMDPP-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CCO ZINC000655167799 411509058 /nfs/dbraw/zinc/50/90/58/411509058.db2.gz UYJFEQVARRGASW-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CCO ZINC000655167799 411509060 /nfs/dbraw/zinc/50/90/60/411509060.db2.gz UYJFEQVARRGASW-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1Cc1cn(C)c[nH+]1 ZINC000659951890 411510051 /nfs/dbraw/zinc/51/00/51/411510051.db2.gz OGFGHKVOBZUZBO-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO CC[C@H]1C[C@H]([NH2+]CC(F)(F)CO)CO1 ZINC000657438672 411510347 /nfs/dbraw/zinc/51/03/47/411510347.db2.gz UGHGLHWGEDUSEX-YUMQZZPRSA-N 1 2 209.236 0.771 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)CO1 ZINC000657438670 411510713 /nfs/dbraw/zinc/51/07/13/411510713.db2.gz UGHGLHWGEDUSEX-JGVFFNPUSA-N 1 2 209.236 0.771 20 0 BCADLO Cc1c[nH]c(CNCc2nnnn2CC2CC2)[nH+]1 ZINC000657438781 411510750 /nfs/dbraw/zinc/51/07/50/411510750.db2.gz OYFXBKHZFFLRJU-UHFFFAOYSA-N 1 2 247.306 0.404 20 0 BCADLO CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000659969012 411513856 /nfs/dbraw/zinc/51/38/56/411513856.db2.gz DVUUGUBDQASLEK-OUAUKWLOSA-N 1 2 224.304 0.470 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000659969012 411513859 /nfs/dbraw/zinc/51/38/59/411513859.db2.gz DVUUGUBDQASLEK-OUAUKWLOSA-N 1 2 224.304 0.470 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657456688 411517219 /nfs/dbraw/zinc/51/72/19/411517219.db2.gz JXJZQUMZYUXWIB-JTQLQIEISA-N 1 2 240.307 0.100 20 0 BCADLO CC[C@@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)OC ZINC000657470316 411521780 /nfs/dbraw/zinc/52/17/80/411521780.db2.gz PSKFDSKLQWCVOL-VIFPVBQESA-N 1 2 241.339 0.943 20 0 BCADLO CCOC[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655815188 411523512 /nfs/dbraw/zinc/52/35/12/411523512.db2.gz YELQSGZJZPVMCV-VIFPVBQESA-N 1 2 241.339 0.943 20 0 BCADLO CC[C@H](COC)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814929 411523782 /nfs/dbraw/zinc/52/37/82/411523782.db2.gz UOBHRQVBLVGCIS-SECBINFHSA-N 1 2 241.339 0.943 20 0 BCADLO CC[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC000063445623 169988126 /nfs/dbraw/zinc/98/81/26/169988126.db2.gz BOXQXTUQKLCTFF-UHFFFAOYSA-N 1 2 226.305 0.316 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000660008962 411527236 /nfs/dbraw/zinc/52/72/36/411527236.db2.gz IVKQPMWIDBFELT-ONGXEEELSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000660008962 411527238 /nfs/dbraw/zinc/52/72/38/411527238.db2.gz IVKQPMWIDBFELT-ONGXEEELSA-N 1 2 240.303 0.819 20 0 BCADLO CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000660026222 411529597 /nfs/dbraw/zinc/52/95/97/411529597.db2.gz WCWIGSNTAVUDQT-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000122610948 169998203 /nfs/dbraw/zinc/99/82/03/169998203.db2.gz PTIUILDYDINBPB-UHFFFAOYSA-N 1 2 218.322 0.116 20 0 BCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC)C2)CC1 ZINC000358777765 169998419 /nfs/dbraw/zinc/99/84/19/169998419.db2.gz KJXSFKSXFCZCCC-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO NS(=O)(=O)c1cc(C[NH+]2CCCC2)co1 ZINC000659827235 411465773 /nfs/dbraw/zinc/46/57/73/411465773.db2.gz OIEQMLKAEGHWQM-UHFFFAOYSA-N 1 2 230.289 0.523 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C(C)C ZINC000336533538 170001780 /nfs/dbraw/zinc/00/17/80/170001780.db2.gz JVJWUPVBFSSFOG-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CCN1CCOC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000378441564 170001619 /nfs/dbraw/zinc/00/16/19/170001619.db2.gz HTZMIMNGNSDGDU-LBPRGKRZSA-N 1 2 249.314 0.471 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)F ZINC000356653189 170001748 /nfs/dbraw/zinc/00/17/48/170001748.db2.gz OHMXPYRBZUNTHN-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)F ZINC000356653189 170001750 /nfs/dbraw/zinc/00/17/50/170001750.db2.gz OHMXPYRBZUNTHN-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C(C)C ZINC000336533538 170001778 /nfs/dbraw/zinc/00/17/78/170001778.db2.gz JVJWUPVBFSSFOG-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC(C)C ZINC000367262620 170001941 /nfs/dbraw/zinc/00/19/41/170001941.db2.gz POAXIKQHTRNACD-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC(C)C ZINC000367262620 170001942 /nfs/dbraw/zinc/00/19/42/170001942.db2.gz POAXIKQHTRNACD-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC=C(C)C1 ZINC000336633695 170002078 /nfs/dbraw/zinc/00/20/78/170002078.db2.gz YOXUKZJWEWDBLJ-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC=C(C)C1 ZINC000336633695 170002079 /nfs/dbraw/zinc/00/20/79/170002079.db2.gz YOXUKZJWEWDBLJ-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cnns2)C1 ZINC000356780526 170005063 /nfs/dbraw/zinc/00/50/63/170005063.db2.gz RPSGUNBJEAPNNY-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2cnns2)C1 ZINC000356780526 170005065 /nfs/dbraw/zinc/00/50/65/170005065.db2.gz RPSGUNBJEAPNNY-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO CCN1CN(c2[nH+]c(C)nc3[nH]ccc32)CC1=O ZINC000358045350 170026672 /nfs/dbraw/zinc/02/66/72/170026672.db2.gz JWIQAOFRWPDQJZ-UHFFFAOYSA-N 1 2 245.286 0.892 20 0 BCADLO CCN1CN(Cc2[nH+]ccn2C)CC1=O ZINC000335771295 170027299 /nfs/dbraw/zinc/02/72/99/170027299.db2.gz DVCZVYFJEVTIFU-UHFFFAOYSA-N 1 2 208.265 0.042 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC000336671748 170036174 /nfs/dbraw/zinc/03/61/74/170036174.db2.gz AAJDZKUYOLWVCY-QWRGUYRKSA-N 1 2 223.324 0.208 20 0 BCADLO CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000336493910 170043838 /nfs/dbraw/zinc/04/38/38/170043838.db2.gz DTCHPNGSUCDDRJ-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000660126676 411541563 /nfs/dbraw/zinc/54/15/63/411541563.db2.gz SYFIUBDKVLPALE-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000660126676 411541565 /nfs/dbraw/zinc/54/15/65/411541565.db2.gz SYFIUBDKVLPALE-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO CCNC(=O)CCCC(=O)NCc1c[nH+]c[nH]1 ZINC000359127624 170048975 /nfs/dbraw/zinc/04/89/75/170048975.db2.gz OYUCERNIYIPGTD-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCNC(=O)CCCC(=O)NCc1c[nH]c[nH+]1 ZINC000359127624 170048979 /nfs/dbraw/zinc/04/89/79/170048979.db2.gz OYUCERNIYIPGTD-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000332499348 170055114 /nfs/dbraw/zinc/05/51/14/170055114.db2.gz ICSNECLHBVEDPO-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000332499348 170055116 /nfs/dbraw/zinc/05/51/16/170055116.db2.gz ICSNECLHBVEDPO-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1conc1C ZINC000294873152 170057436 /nfs/dbraw/zinc/05/74/36/170057436.db2.gz KHOUPCUCIHKHGX-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1conc1C ZINC000294873152 170057437 /nfs/dbraw/zinc/05/74/37/170057437.db2.gz KHOUPCUCIHKHGX-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnc(C)nc1 ZINC000339059922 170057516 /nfs/dbraw/zinc/05/75/16/170057516.db2.gz CDKLUSQEHLESCB-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)CN(CC)Cc1[nH]cc[nH+]1 ZINC000111198334 170057554 /nfs/dbraw/zinc/05/75/54/170057554.db2.gz FRSZWZFWDSPNIL-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1c(C)n[nH]c1C ZINC000119345810 170057873 /nfs/dbraw/zinc/05/78/73/170057873.db2.gz XUCGBPJVTXVZIK-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1c(C)n[nH]c1C ZINC000119345810 170057876 /nfs/dbraw/zinc/05/78/76/170057876.db2.gz XUCGBPJVTXVZIK-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360555841 170061249 /nfs/dbraw/zinc/06/12/49/170061249.db2.gz CUTYQTKJQOURQA-VHSXEESVSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360555841 170061250 /nfs/dbraw/zinc/06/12/50/170061250.db2.gz CUTYQTKJQOURQA-VHSXEESVSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000265985444 170065718 /nfs/dbraw/zinc/06/57/18/170065718.db2.gz OXNIKEDMXPQFAW-SECBINFHSA-N 1 2 247.302 0.516 20 0 BCADLO CCNC(=O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000130884034 170066339 /nfs/dbraw/zinc/06/63/39/170066339.db2.gz NQULYWYQAPYNBJ-UHFFFAOYSA-N 1 2 249.318 0.847 20 0 BCADLO CCNC(=O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000130884034 170066341 /nfs/dbraw/zinc/06/63/41/170066341.db2.gz NQULYWYQAPYNBJ-UHFFFAOYSA-N 1 2 249.318 0.847 20 0 BCADLO CCNC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000022089571 170069132 /nfs/dbraw/zinc/06/91/32/170069132.db2.gz BGAFDHNDYGRVNO-UHFFFAOYSA-N 1 2 226.305 0.595 20 0 BCADLO CCN1CC[C@H](N(C)Cc2[nH+]ccn2C)C1=O ZINC000660138310 411543953 /nfs/dbraw/zinc/54/39/53/411543953.db2.gz TVVVPQVXVYZHBY-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331427850 170078173 /nfs/dbraw/zinc/07/81/73/170078173.db2.gz GBIXWYQRUXEJHO-UHFFFAOYSA-N 1 2 227.308 0.170 20 0 BCADLO CN(Cc1cnns1)Cc1[nH]cc[nH+]1 ZINC000660140837 411544250 /nfs/dbraw/zinc/54/42/50/411544250.db2.gz AVACIEQVMGPQSP-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO CCn1nncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660141039 411544272 /nfs/dbraw/zinc/54/42/72/411544272.db2.gz DPESENAAPNNTOJ-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1nccn1C)OC ZINC000660137250 411544330 /nfs/dbraw/zinc/54/43/30/411544330.db2.gz NTHZOXIYFKEWCJ-JTQLQIEISA-N 1 2 227.308 0.513 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000660137250 411544331 /nfs/dbraw/zinc/54/43/31/411544331.db2.gz NTHZOXIYFKEWCJ-JTQLQIEISA-N 1 2 227.308 0.513 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000290028457 170088435 /nfs/dbraw/zinc/08/84/35/170088435.db2.gz VPQZJBJFSHSHBU-MRVPVSSYSA-N 1 2 210.281 0.332 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000292950708 170091878 /nfs/dbraw/zinc/09/18/78/170091878.db2.gz KPMXEGQXVBPXOI-JTQLQIEISA-N 1 2 224.308 0.660 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1cocn1)C(C)C ZINC000292920227 170092256 /nfs/dbraw/zinc/09/22/56/170092256.db2.gz IENISMNQPCMSSL-JTQLQIEISA-N 1 2 225.292 0.925 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1ccon1)C(C)C ZINC000293303899 170092274 /nfs/dbraw/zinc/09/22/74/170092274.db2.gz PTFFIOKWZLXSCR-JTQLQIEISA-N 1 2 225.292 0.925 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1ncc(C)n1C ZINC000309950467 170094590 /nfs/dbraw/zinc/09/45/90/170094590.db2.gz FWBFIOAFPLQRNX-VIFPVBQESA-N 1 2 224.308 0.343 20 0 BCADLO CCNC(=O)[C@H](C)NCc1[nH+]cc(C)n1C ZINC000309950467 170094591 /nfs/dbraw/zinc/09/45/91/170094591.db2.gz FWBFIOAFPLQRNX-VIFPVBQESA-N 1 2 224.308 0.343 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1ccon1)C(C)C ZINC000339330348 170098237 /nfs/dbraw/zinc/09/82/37/170098237.db2.gz PTFFIOKWZLXSCR-SNVBAGLBSA-N 1 2 225.292 0.925 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1nnc(C)o1)C(C)C ZINC000339319701 170098597 /nfs/dbraw/zinc/09/85/97/170098597.db2.gz VRXYFTJBANCDFZ-SNVBAGLBSA-N 1 2 240.307 0.628 20 0 BCADLO CCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660099514 411537457 /nfs/dbraw/zinc/53/74/57/411537457.db2.gz GVTZPNAECAVPFP-ZETCQYMHSA-N 1 2 217.294 0.420 20 0 BCADLO C[C@H](NS(=O)(=O)C1(C)CC1)c1[nH+]ccn1C ZINC000660099881 411537643 /nfs/dbraw/zinc/53/76/43/411537643.db2.gz JFDGBQDGDFVZLG-QMMMGPOBSA-N 1 2 243.332 0.953 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)C[C@@H](O)C(F)(F)F ZINC000660172067 411551476 /nfs/dbraw/zinc/55/14/76/411551476.db2.gz IEJGPDHGRAMCNO-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO CC[NH2+]Cc1noc([C@@H]2COCCO2)n1 ZINC000055305645 170131995 /nfs/dbraw/zinc/13/19/95/170131995.db2.gz DQLIAKINJGKWKG-ZETCQYMHSA-N 1 2 213.237 0.267 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)on1 ZINC000660144695 411545397 /nfs/dbraw/zinc/54/53/97/411545397.db2.gz GMTKUFRCONONCQ-MRVPVSSYSA-N 1 2 239.275 0.394 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)on1 ZINC000660144695 411545399 /nfs/dbraw/zinc/54/53/99/411545399.db2.gz GMTKUFRCONONCQ-MRVPVSSYSA-N 1 2 239.275 0.394 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)on1 ZINC000660144697 411545427 /nfs/dbraw/zinc/54/54/27/411545427.db2.gz GMTKUFRCONONCQ-QMMMGPOBSA-N 1 2 239.275 0.394 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)on1 ZINC000660144697 411545428 /nfs/dbraw/zinc/54/54/28/411545428.db2.gz GMTKUFRCONONCQ-QMMMGPOBSA-N 1 2 239.275 0.394 20 0 BCADLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000330807793 170191473 /nfs/dbraw/zinc/19/14/73/170191473.db2.gz AIGSHEWKOZFQQU-QMMMGPOBSA-N 1 2 244.291 0.300 20 0 BCADLO CCOC(=O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299662605 170196528 /nfs/dbraw/zinc/19/65/28/170196528.db2.gz NFWKKUOMSZWTBY-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCNC(=O)C1(C)C ZINC000066530024 170200758 /nfs/dbraw/zinc/20/07/58/170200758.db2.gz BHDDNKNSFQGRRO-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCNC(=O)C1(C)C ZINC000066530024 170200760 /nfs/dbraw/zinc/20/07/60/170200760.db2.gz BHDDNKNSFQGRRO-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)CCCNC(=O)Cn1cc[nH+]c1 ZINC000122514140 170201627 /nfs/dbraw/zinc/20/16/27/170201627.db2.gz UHAYWPDOBLCKFE-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H]1CCOC1=O ZINC000050067169 170204942 /nfs/dbraw/zinc/20/49/42/170204942.db2.gz UDOKDZRQRTXAGN-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H]1CCOC1=O ZINC000050067169 170204943 /nfs/dbraw/zinc/20/49/43/170204943.db2.gz UDOKDZRQRTXAGN-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO CCOC(=O)CCN1CCn2cc(C)[nH+]c2C1 ZINC000371701135 170206905 /nfs/dbraw/zinc/20/69/05/170206905.db2.gz RYLDJGZXTPPXFP-UHFFFAOYSA-N 1 2 237.303 0.960 20 0 BCADLO CCOC(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000041684385 170207452 /nfs/dbraw/zinc/20/74/52/170207452.db2.gz ZLDZYIKQOGIATA-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CCOC(=O)CN(C)Cc1c[nH+]cn1C ZINC000090233465 170215114 /nfs/dbraw/zinc/21/51/14/170215114.db2.gz TZFICAYMSDMIEI-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCOC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000342171505 170216609 /nfs/dbraw/zinc/21/66/09/170216609.db2.gz QVGFTEHSVGFXBV-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000342171505 170216611 /nfs/dbraw/zinc/21/66/11/170216611.db2.gz QVGFTEHSVGFXBV-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@H+](CCn1cncn1)C(C)C ZINC000264078779 170217734 /nfs/dbraw/zinc/21/77/34/170217734.db2.gz MDQIJPQYYSIVHE-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO CCOC(=O)C[N@@H+](CCn1cncn1)C(C)C ZINC000264078779 170217735 /nfs/dbraw/zinc/21/77/35/170217735.db2.gz MDQIJPQYYSIVHE-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO CCOC(=O)C[N@H+](CCOCCO)C1CC1 ZINC000050063793 170217741 /nfs/dbraw/zinc/21/77/41/170217741.db2.gz OMTWDWOVQHHMIR-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@@H+](CCOCCO)C1CC1 ZINC000050063793 170217742 /nfs/dbraw/zinc/21/77/42/170217742.db2.gz OMTWDWOVQHHMIR-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[NH+](CCOC)CCOC ZINC000042212122 170218168 /nfs/dbraw/zinc/21/81/68/170218168.db2.gz YHLWNDVLKYAABK-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374541510 170219395 /nfs/dbraw/zinc/21/93/95/170219395.db2.gz OHOCVDAZUAMOLP-SECBINFHSA-N 1 2 238.291 0.547 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374541510 170219397 /nfs/dbraw/zinc/21/93/97/170219397.db2.gz OHOCVDAZUAMOLP-SECBINFHSA-N 1 2 238.291 0.547 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376015976 170219890 /nfs/dbraw/zinc/21/98/90/170219890.db2.gz UXSKIOCAORAIIE-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376015976 170219892 /nfs/dbraw/zinc/21/98/92/170219892.db2.gz UXSKIOCAORAIIE-NXEZZACHSA-N 1 2 213.277 0.803 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368973090 170221770 /nfs/dbraw/zinc/22/17/70/170221770.db2.gz IXCBEHJSLVYUCP-ATZCPNFKSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368973090 170221771 /nfs/dbraw/zinc/22/17/71/170221771.db2.gz IXCBEHJSLVYUCP-ATZCPNFKSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[NH2+]C1(CC(=O)OC)CCC1 ZINC000336776990 170225607 /nfs/dbraw/zinc/22/56/07/170225607.db2.gz HCXDGRPBPBGLCS-UHFFFAOYSA-N 1 2 229.276 0.625 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000049075967 170226047 /nfs/dbraw/zinc/22/60/47/170226047.db2.gz QNVKVESAAKTUIS-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000330363544 170226095 /nfs/dbraw/zinc/22/60/95/170226095.db2.gz JJOPSWQQFBLQPG-MWLCHTKSSA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000336768183 170226317 /nfs/dbraw/zinc/22/63/17/170226317.db2.gz UAKYJCICFAICJD-JTQLQIEISA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000308189108 170226367 /nfs/dbraw/zinc/22/63/67/170226367.db2.gz MHFHYJXFCKAHFU-JGVFFNPUSA-N 1 2 203.307 0.891 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660232841 411557052 /nfs/dbraw/zinc/55/70/52/411557052.db2.gz NMQSURDHMHGDEK-BDAKNGLRSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660232841 411557053 /nfs/dbraw/zinc/55/70/53/411557053.db2.gz NMQSURDHMHGDEK-BDAKNGLRSA-N 1 2 210.281 0.050 20 0 BCADLO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000185785556 170240111 /nfs/dbraw/zinc/24/01/11/170240111.db2.gz BPKGJYKKACHDHB-SNVBAGLBSA-N 1 2 238.291 0.730 20 0 BCADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000295755723 170248804 /nfs/dbraw/zinc/24/88/04/170248804.db2.gz OJKSFLUGMYDUKZ-YUMQZZPRSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000295755723 170248805 /nfs/dbraw/zinc/24/88/05/170248805.db2.gz OJKSFLUGMYDUKZ-YUMQZZPRSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510860 170250288 /nfs/dbraw/zinc/25/02/88/170250288.db2.gz DYTJQOGSXYBLFO-RKDXNWHRSA-N 1 2 243.307 0.485 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510860 170250290 /nfs/dbraw/zinc/25/02/90/170250290.db2.gz DYTJQOGSXYBLFO-RKDXNWHRSA-N 1 2 243.307 0.485 20 0 BCADLO CO[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660246434 411558959 /nfs/dbraw/zinc/55/89/59/411558959.db2.gz XFGAEQKEYDFPMU-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CO[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660246434 411558961 /nfs/dbraw/zinc/55/89/61/411558961.db2.gz XFGAEQKEYDFPMU-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccon1 ZINC000354932819 170262363 /nfs/dbraw/zinc/26/23/63/170262363.db2.gz TZOYPSKZLPEOGW-KWQFWETISA-N 1 2 242.275 0.639 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000340234983 170266764 /nfs/dbraw/zinc/26/67/64/170266764.db2.gz CHLQRIHAZPJFOB-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000049371994 170267881 /nfs/dbraw/zinc/26/78/81/170267881.db2.gz KLZATJXPZVAWOC-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO COCc1nnc(C[NH2+]C[C@H]2CCSC2)[nH]1 ZINC000657609684 411562467 /nfs/dbraw/zinc/56/24/67/411562467.db2.gz RWGZOBDDYVQQLE-MRVPVSSYSA-N 1 2 242.348 0.794 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CCCSC2)[nH]1 ZINC000657608993 411562559 /nfs/dbraw/zinc/56/25/59/411562559.db2.gz HQAQJUFMAHOJRC-MRVPVSSYSA-N 1 2 242.348 0.936 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)O)[C@@H]1CCCOC1 ZINC000337202291 170277550 /nfs/dbraw/zinc/27/75/50/170277550.db2.gz GRLPCITUXZREER-HBNTYKKESA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)O)[C@@H]1CCCOC1 ZINC000337202290 170277659 /nfs/dbraw/zinc/27/76/59/170277659.db2.gz GRLPCITUXZREER-GMTAPVOTSA-N 1 2 245.319 0.315 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccco1 ZINC000657605096 411564070 /nfs/dbraw/zinc/56/40/70/411564070.db2.gz QYWKQCXJJOKDPZ-VHSXEESVSA-N 1 2 245.300 0.181 20 0 BCADLO CC[C@]1(O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660334585 411571854 /nfs/dbraw/zinc/57/18/54/411571854.db2.gz YKIHSPPNHZEFOB-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO CC[C@]1(O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660334585 411571855 /nfs/dbraw/zinc/57/18/55/411571855.db2.gz YKIHSPPNHZEFOB-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@H]2C[C@H]21)OCC ZINC000367843036 170316128 /nfs/dbraw/zinc/31/61/28/170316128.db2.gz ZRRWEADTMSUTRF-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CCOC1CC([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000309989170 170330363 /nfs/dbraw/zinc/33/03/63/170330363.db2.gz ZPYGNIZVERIGMM-WOOKNIGNSA-N 1 2 231.292 0.066 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000660371750 411574183 /nfs/dbraw/zinc/57/41/83/411574183.db2.gz RSLFMWIBKMCAHY-WPRPVWTQSA-N 1 2 213.256 0.325 20 0 BCADLO CCOCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000161687075 170338128 /nfs/dbraw/zinc/33/81/28/170338128.db2.gz QNAHKUYQYOGDTP-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCOCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371041210 170340951 /nfs/dbraw/zinc/34/09/51/170340951.db2.gz DOIFQATWIOZPAH-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO CCOCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363698704 170342028 /nfs/dbraw/zinc/34/20/28/170342028.db2.gz JQGRAYSSJZOEMO-UHFFFAOYSA-N 1 2 223.276 0.570 20 0 BCADLO CCOCC(=O)NCc1c[nH+]ccc1OC ZINC000294619095 170345466 /nfs/dbraw/zinc/34/54/66/170345466.db2.gz OMPJGCWEDZTVTJ-UHFFFAOYSA-N 1 2 224.260 0.743 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000660322949 411569058 /nfs/dbraw/zinc/56/90/58/411569058.db2.gz OYQTVIAXSKWUQU-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000660322949 411569060 /nfs/dbraw/zinc/56/90/60/411569060.db2.gz OYQTVIAXSKWUQU-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CCOCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000309955769 170382644 /nfs/dbraw/zinc/38/26/44/170382644.db2.gz IFKGGMZZQLEGHT-NSHDSACASA-N 1 2 233.308 0.581 20 0 BCADLO CCOCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375435615 170387732 /nfs/dbraw/zinc/38/77/32/170387732.db2.gz GNEOYNZSYPKRMF-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO O=C(Nc1ccon1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639904346 411623527 /nfs/dbraw/zinc/62/35/27/411623527.db2.gz IXOUSSPULFCFCZ-SSDOTTSWSA-N 1 2 233.231 0.618 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)NC(C)(C)C1=O ZINC000663327286 411624982 /nfs/dbraw/zinc/62/49/82/411624982.db2.gz HIBQAFQEEVFJSE-SSDOTTSWSA-N 1 2 236.275 0.812 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)[C@@H](C)N(C)C1=O ZINC000663326652 411625583 /nfs/dbraw/zinc/62/55/83/411625583.db2.gz DGGRUVJXZFBNCN-HTQZYQBOSA-N 1 2 236.275 0.764 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)[C@@H]2CCCN2C1=O ZINC000663327971 411626212 /nfs/dbraw/zinc/62/62/12/411626212.db2.gz MVMIDFGUDQRTLX-IUCAKERBSA-N 1 2 248.286 0.908 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000373570066 411627583 /nfs/dbraw/zinc/62/75/83/411627583.db2.gz UHJLAJNIJSRNAO-SECBINFHSA-N 1 2 245.286 1.116 20 0 BCADLO COC[C@@H](C)CNc1ccc(CO)c[nH+]1 ZINC000379956202 411628512 /nfs/dbraw/zinc/62/85/12/411628512.db2.gz VNAMAPGMOKDMNH-VIFPVBQESA-N 1 2 210.277 1.268 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1csnn1 ZINC000660781142 411629176 /nfs/dbraw/zinc/62/91/76/411629176.db2.gz YEMZOFATORFEOC-JGVFFNPUSA-N 1 2 215.278 0.042 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000599442152 411642505 /nfs/dbraw/zinc/64/25/05/411642505.db2.gz VWQLZEQHKCJQGO-VIFPVBQESA-N 1 2 236.319 1.537 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000660810045 411642889 /nfs/dbraw/zinc/64/28/89/411642889.db2.gz BUUANRDVSJKQIR-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000660810045 411642893 /nfs/dbraw/zinc/64/28/93/411642893.db2.gz BUUANRDVSJKQIR-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(OC)ns1 ZINC000660392603 411578515 /nfs/dbraw/zinc/57/85/15/411578515.db2.gz HPBATGUMDGZUFH-UHFFFAOYSA-N 1 2 229.305 0.459 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(OC)ns1 ZINC000660392603 411578517 /nfs/dbraw/zinc/57/85/17/411578517.db2.gz HPBATGUMDGZUFH-UHFFFAOYSA-N 1 2 229.305 0.459 20 0 BCADLO C[C@H]1C(=O)NCCCN1Cc1cn(C)c[nH+]1 ZINC000660390774 411578644 /nfs/dbraw/zinc/57/86/44/411578644.db2.gz KJUWSICTVLVYLG-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[NH+](C)[C@@H]1CCC[N@H+](CCc2cn[nH]n2)CC1 ZINC000660415208 411582268 /nfs/dbraw/zinc/58/22/68/411582268.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 1 2 237.351 0.763 20 0 BCADLO COCC[N@H+](Cc1cn(C)cn1)[C@H]1CCOC1 ZINC000660431238 411583554 /nfs/dbraw/zinc/58/35/54/411583554.db2.gz DYNQYVLPCXGTQZ-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@@H+](Cc1cn(C)cn1)[C@H]1CCOC1 ZINC000660431238 411583555 /nfs/dbraw/zinc/58/35/55/411583555.db2.gz DYNQYVLPCXGTQZ-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@H+](Cc3cn[nH]c3)C2)O1 ZINC000660463337 411589283 /nfs/dbraw/zinc/58/92/83/411589283.db2.gz AVNWKDOCBUSDAT-VIFPVBQESA-N 1 2 249.274 0.878 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)O1 ZINC000660463337 411589284 /nfs/dbraw/zinc/58/92/84/411589284.db2.gz AVNWKDOCBUSDAT-VIFPVBQESA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cn[nH]c3)C2)o1 ZINC000660463337 411589285 /nfs/dbraw/zinc/58/92/85/411589285.db2.gz AVNWKDOCBUSDAT-VIFPVBQESA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)o1 ZINC000660463337 411589286 /nfs/dbraw/zinc/58/92/86/411589286.db2.gz AVNWKDOCBUSDAT-VIFPVBQESA-N 1 2 249.274 0.878 20 0 BCADLO CO[C@@H](C[NH2+]Cc1nnn(C)n1)C1CCCC1 ZINC000657766981 411593755 /nfs/dbraw/zinc/59/37/55/411593755.db2.gz GRJHUMHOOQGKCO-JTQLQIEISA-N 1 2 239.323 0.505 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000660493979 411594077 /nfs/dbraw/zinc/59/40/77/411594077.db2.gz OCCHQHDOGLDVKC-NEPJUHHUSA-N 1 2 236.319 0.991 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000660493979 411594078 /nfs/dbraw/zinc/59/40/78/411594078.db2.gz OCCHQHDOGLDVKC-NEPJUHHUSA-N 1 2 236.319 0.991 20 0 BCADLO COCC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660527438 411595671 /nfs/dbraw/zinc/59/56/71/411595671.db2.gz JYTIHUQHQQYLQH-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO COCC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660527438 411595672 /nfs/dbraw/zinc/59/56/72/411595672.db2.gz JYTIHUQHQQYLQH-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCC(N)=O)[nH]1 ZINC000660546524 411598280 /nfs/dbraw/zinc/59/82/80/411598280.db2.gz KTUREFQOXKDQOW-SSDOTTSWSA-N 1 2 225.296 0.235 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCC(N)=O)[nH]1 ZINC000660546524 411598281 /nfs/dbraw/zinc/59/82/81/411598281.db2.gz KTUREFQOXKDQOW-SSDOTTSWSA-N 1 2 225.296 0.235 20 0 BCADLO C[N@H+](Cc1cn(C(C)(C)C)nn1)C1(CO)CC1 ZINC000660543157 411598402 /nfs/dbraw/zinc/59/84/02/411598402.db2.gz GSTPEBYKBNFAMB-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)C1(CO)CC1 ZINC000660543157 411598404 /nfs/dbraw/zinc/59/84/04/411598404.db2.gz GSTPEBYKBNFAMB-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cn[nH]c3)C2)[nH]1 ZINC000660557133 411599389 /nfs/dbraw/zinc/59/93/89/411599389.db2.gz KCYFHGKTJWAOMO-VIFPVBQESA-N 1 2 248.290 0.613 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)[nH]1 ZINC000660557133 411599391 /nfs/dbraw/zinc/59/93/91/411599391.db2.gz KCYFHGKTJWAOMO-VIFPVBQESA-N 1 2 248.290 0.613 20 0 BCADLO O=c1cc(CN2CCn3c[nH+]cc3C2)occ1O ZINC000660578821 411602808 /nfs/dbraw/zinc/60/28/08/411602808.db2.gz RGNAQDUMXOPCLL-UHFFFAOYSA-N 1 2 247.254 0.558 20 0 BCADLO O=c1ccccn1CCN1CCn2c[nH+]cc2C1 ZINC000660580922 411602816 /nfs/dbraw/zinc/60/28/16/411602816.db2.gz WEPQHNANLCIFTO-UHFFFAOYSA-N 1 2 244.298 0.561 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660578260 411603084 /nfs/dbraw/zinc/60/30/84/411603084.db2.gz NJBLXCDSNDQYAJ-NSHDSACASA-N 1 2 225.292 0.096 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660578260 411603086 /nfs/dbraw/zinc/60/30/86/411603086.db2.gz NJBLXCDSNDQYAJ-NSHDSACASA-N 1 2 225.292 0.096 20 0 BCADLO CCOC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660578260 411603087 /nfs/dbraw/zinc/60/30/87/411603087.db2.gz NJBLXCDSNDQYAJ-NSHDSACASA-N 1 2 225.292 0.096 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)Nc1ccon1 ZINC000660578734 411603109 /nfs/dbraw/zinc/60/31/09/411603109.db2.gz QEBRBYVGYNZXSE-UHFFFAOYSA-N 1 2 247.258 0.325 20 0 BCADLO CN(C)C(=O)CCC[N@@H+]1CCn2cncc2C1 ZINC000660582333 411603305 /nfs/dbraw/zinc/60/33/05/411603305.db2.gz RNTPFDKAZYEPOP-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CN(C)C(=O)CCC[N@H+]1CCn2cncc2C1 ZINC000660582333 411603306 /nfs/dbraw/zinc/60/33/06/411603306.db2.gz RNTPFDKAZYEPOP-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CN(C)C(=O)CCCN1CCn2c[nH+]cc2C1 ZINC000660582333 411603307 /nfs/dbraw/zinc/60/33/07/411603307.db2.gz RNTPFDKAZYEPOP-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CC(=O)[C@](C)(O)CN1CCn2c[nH+]cc2C1 ZINC000660583001 411603869 /nfs/dbraw/zinc/60/38/69/411603869.db2.gz DCVBOGIHXAXNFD-LLVKDONJSA-N 1 2 223.276 0.039 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000660611041 411607400 /nfs/dbraw/zinc/60/74/00/411607400.db2.gz OBHZOUCLGGASSM-IMSYWVGJSA-N 1 2 236.319 0.598 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000660611041 411607401 /nfs/dbraw/zinc/60/74/01/411607401.db2.gz OBHZOUCLGGASSM-IMSYWVGJSA-N 1 2 236.319 0.598 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)CCc1cn[nH]n1 ZINC000660622358 411609272 /nfs/dbraw/zinc/60/92/72/411609272.db2.gz RRPHBUYLTBSPQM-UHFFFAOYSA-N 1 2 249.322 0.652 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)CCc1cn[nH]n1 ZINC000660622358 411609274 /nfs/dbraw/zinc/60/92/74/411609274.db2.gz RRPHBUYLTBSPQM-UHFFFAOYSA-N 1 2 249.322 0.652 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCc1cn[nH]n1 ZINC000660628925 411609330 /nfs/dbraw/zinc/60/93/30/411609330.db2.gz DGRHYJBNJCWKKD-LBPRGKRZSA-N 1 2 237.351 0.619 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@H+]1CCc1cn[nH]n1 ZINC000660628925 411609331 /nfs/dbraw/zinc/60/93/31/411609331.db2.gz DGRHYJBNJCWKKD-LBPRGKRZSA-N 1 2 237.351 0.619 20 0 BCADLO Cc1ccnc(C[NH+]2CC(N3CCNC3=O)C2)c1 ZINC000660684800 411617376 /nfs/dbraw/zinc/61/73/76/411617376.db2.gz QOIMQPHNUNEFNV-UHFFFAOYSA-N 1 2 246.314 0.599 20 0 BCADLO C[C@@H](c1ccncc1)[NH+]1CC(N2CCNC2=O)C1 ZINC000660687386 411617531 /nfs/dbraw/zinc/61/75/31/411617531.db2.gz RYHFJNVZPYGBIM-JTQLQIEISA-N 1 2 246.314 0.852 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@H](C)CCOC)C1 ZINC000660728678 411619450 /nfs/dbraw/zinc/61/94/50/411619450.db2.gz DOSOZPRQTCCBHG-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC(C)(C)O)C1 ZINC000660727776 411619542 /nfs/dbraw/zinc/61/95/42/411619542.db2.gz GOKKSYTXOKKPKW-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H](O)C(C)C)C1 ZINC000660730791 411619564 /nfs/dbraw/zinc/61/95/64/411619564.db2.gz SUUDBXLQVSLJHJ-SNVBAGLBSA-N 1 2 235.349 0.122 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCCCOC)C1 ZINC000660731432 411619623 /nfs/dbraw/zinc/61/96/23/411619623.db2.gz CYPWKTNPXFTVKC-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2cn(C)c[nH+]2)C1 ZINC000660727347 411619674 /nfs/dbraw/zinc/61/96/74/411619674.db2.gz GJXUCXBYDDVCQK-UHFFFAOYSA-N 1 2 243.332 0.039 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)[nH]1 ZINC000660737221 411619758 /nfs/dbraw/zinc/61/97/58/411619758.db2.gz VEADBRJWDWHQGO-DJLDLDEBSA-N 1 2 240.307 0.120 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)[nH]1 ZINC000660737221 411619759 /nfs/dbraw/zinc/61/97/59/411619759.db2.gz VEADBRJWDWHQGO-DJLDLDEBSA-N 1 2 240.307 0.120 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(C)o1 ZINC000660742243 411620435 /nfs/dbraw/zinc/62/04/35/411620435.db2.gz UOHVLQNYGCMBMJ-SNVBAGLBSA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]2C(N)=O)c(C)o1 ZINC000660742243 411620436 /nfs/dbraw/zinc/62/04/36/411620436.db2.gz UOHVLQNYGCMBMJ-SNVBAGLBSA-N 1 2 223.276 0.741 20 0 BCADLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)on1 ZINC000660741488 411620480 /nfs/dbraw/zinc/62/04/80/411620480.db2.gz SIJSTWOKNSPUEX-MRVPVSSYSA-N 1 2 225.248 0.133 20 0 BCADLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)on1 ZINC000660741488 411620481 /nfs/dbraw/zinc/62/04/81/411620481.db2.gz SIJSTWOKNSPUEX-MRVPVSSYSA-N 1 2 225.248 0.133 20 0 BCADLO CCO[C@@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000563596845 411714068 /nfs/dbraw/zinc/71/40/68/411714068.db2.gz UFAOWZYZNSQNHW-GHMZBOCLSA-N 1 2 249.314 1.570 20 0 BCADLO Cc1cc(NCCN2CCCC2=O)nc[nH+]1 ZINC000405443839 411648382 /nfs/dbraw/zinc/64/83/82/411648382.db2.gz KRRGILCOJKWMFZ-UHFFFAOYSA-N 1 2 220.276 0.819 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660832392 411648754 /nfs/dbraw/zinc/64/87/54/411648754.db2.gz WQPKZANCLRDZFA-UWVGGRQHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660832392 411648757 /nfs/dbraw/zinc/64/87/57/411648757.db2.gz WQPKZANCLRDZFA-UWVGGRQHSA-N 1 2 224.308 0.298 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@@H]2CCCO2)nc[nH+]1 ZINC000528131449 411650058 /nfs/dbraw/zinc/65/00/58/411650058.db2.gz BGECTSGSWGFNJB-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NCCOC[C@@H]2CCOC2)nc[nH+]1 ZINC000599926340 411650176 /nfs/dbraw/zinc/65/01/76/411650176.db2.gz RGZABCPUMQFXMC-LLVKDONJSA-N 1 2 237.303 1.250 20 0 BCADLO Cc1cc(NC[C@@](C)(O)C2CC2)nc[nH+]1 ZINC000380110828 411651163 /nfs/dbraw/zinc/65/11/63/411651163.db2.gz RVOSEZCGZRTRIR-LLVKDONJSA-N 1 2 207.277 1.358 20 0 BCADLO COC[C@](C)(O)CCNc1cc[nH+]c(C)n1 ZINC000450586221 411655207 /nfs/dbraw/zinc/65/52/07/411655207.db2.gz BQBIJDYBDIXLAM-LLVKDONJSA-N 1 2 225.292 0.984 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846313 411655851 /nfs/dbraw/zinc/65/58/51/411655851.db2.gz YOFPWRITAGHRDR-SFYZADRCSA-N 1 2 227.264 0.775 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846313 411655856 /nfs/dbraw/zinc/65/58/56/411655856.db2.gz YOFPWRITAGHRDR-SFYZADRCSA-N 1 2 227.264 0.775 20 0 BCADLO COC[C@](C)(O)CCNc1nc(C)[nH+]cc1C ZINC000582796205 411655889 /nfs/dbraw/zinc/65/58/89/411655889.db2.gz MEWCMAKQGKCLGG-GFCCVEGCSA-N 1 2 239.319 1.293 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846311 411657255 /nfs/dbraw/zinc/65/72/55/411657255.db2.gz YOFPWRITAGHRDR-JGVFFNPUSA-N 1 2 227.264 0.775 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846311 411657257 /nfs/dbraw/zinc/65/72/57/411657257.db2.gz YOFPWRITAGHRDR-JGVFFNPUSA-N 1 2 227.264 0.775 20 0 BCADLO Cc1cc(N[C@@H]2CCCNC2=O)nc(C2CC2)[nH+]1 ZINC000408180603 411657761 /nfs/dbraw/zinc/65/77/61/411657761.db2.gz SZEJNUCJALWBEC-SNVBAGLBSA-N 1 2 246.314 1.353 20 0 BCADLO C[N@H+](CCCn1ccnc1)Cc1n[nH]c(=O)o1 ZINC000660847453 411658139 /nfs/dbraw/zinc/65/81/39/411658139.db2.gz QPRVDEGPULXITN-UHFFFAOYSA-N 1 2 237.263 0.494 20 0 BCADLO C[N@@H+](CCCn1ccnc1)Cc1n[nH]c(=O)o1 ZINC000660847453 411658143 /nfs/dbraw/zinc/65/81/43/411658143.db2.gz QPRVDEGPULXITN-UHFFFAOYSA-N 1 2 237.263 0.494 20 0 BCADLO CN(Cc1c[nH+]cn1C)Cc1n[nH]c(=O)o1 ZINC000660845843 411658240 /nfs/dbraw/zinc/65/82/40/411658240.db2.gz BUVVEKIMTKMQFU-UHFFFAOYSA-N 1 2 223.236 0.141 20 0 BCADLO CO[C@H](C)CCNc1cc(CO)cc[nH+]1 ZINC000641333809 411674511 /nfs/dbraw/zinc/67/45/11/411674511.db2.gz PSAJJUIOFSLMGK-SECBINFHSA-N 1 2 210.277 1.411 20 0 BCADLO CC1(C)C[C@@H]([N@@H+]2CCn3nncc3C2)CO1 ZINC000660922521 411675766 /nfs/dbraw/zinc/67/57/66/411675766.db2.gz FQMILTNAVDAAMR-SECBINFHSA-N 1 2 222.292 0.661 20 0 BCADLO CC1(C)C[C@@H]([N@H+]2CCn3nncc3C2)CO1 ZINC000660922521 411675768 /nfs/dbraw/zinc/67/57/68/411675768.db2.gz FQMILTNAVDAAMR-SECBINFHSA-N 1 2 222.292 0.661 20 0 BCADLO CO[C@H]1COCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000450696660 411676842 /nfs/dbraw/zinc/67/68/42/411676842.db2.gz TWCLDXUCMFNZJP-QWRGUYRKSA-N 1 2 237.303 1.248 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC(C)(C)CO ZINC000386364059 411679270 /nfs/dbraw/zinc/67/92/70/411679270.db2.gz ZUSBBRZARXWTOI-UHFFFAOYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC(C)(C)CO ZINC000386364059 411679276 /nfs/dbraw/zinc/67/92/76/411679276.db2.gz ZUSBBRZARXWTOI-UHFFFAOYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)[nH+]cnc1NCCc1cc(C)no1 ZINC000572974912 411680820 /nfs/dbraw/zinc/68/08/20/411680820.db2.gz DCAFIZWBJJNUOW-UHFFFAOYSA-N 1 2 249.274 1.018 20 0 BCADLO COc1c(N)nc[nH+]c1NCCc1cc(C)no1 ZINC000572974912 411680827 /nfs/dbraw/zinc/68/08/27/411680827.db2.gz DCAFIZWBJJNUOW-UHFFFAOYSA-N 1 2 249.274 1.018 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1C[C@@H](O)C1 ZINC000624667215 411682675 /nfs/dbraw/zinc/68/26/75/411682675.db2.gz HJNLGOWTRZCHPG-LJGSYFOKSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1C[C@@H](O)C1 ZINC000624667215 411682677 /nfs/dbraw/zinc/68/26/77/411682677.db2.gz HJNLGOWTRZCHPG-LJGSYFOKSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](O)C(F)F ZINC000631460060 411682773 /nfs/dbraw/zinc/68/27/73/411682773.db2.gz HEFORPYBLUUKEZ-YFKPBYRVSA-N 1 2 248.233 0.495 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](O)C(F)F ZINC000631460060 411682775 /nfs/dbraw/zinc/68/27/75/411682775.db2.gz HEFORPYBLUUKEZ-YFKPBYRVSA-N 1 2 248.233 0.495 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](OC)C(C)C ZINC000381288315 411682951 /nfs/dbraw/zinc/68/29/51/411682951.db2.gz MYUVNOPZOXWZDB-MRVPVSSYSA-N 1 2 240.307 1.150 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](OC)C(C)C ZINC000381288315 411682956 /nfs/dbraw/zinc/68/29/56/411682956.db2.gz MYUVNOPZOXWZDB-MRVPVSSYSA-N 1 2 240.307 1.150 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@]1(C)CCOC1 ZINC000397281421 411683289 /nfs/dbraw/zinc/68/32/89/411683289.db2.gz MXRQFZRSEVWXLE-NSHDSACASA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@]1(C)CCOC1 ZINC000397281421 411683293 /nfs/dbraw/zinc/68/32/93/411683293.db2.gz MXRQFZRSEVWXLE-NSHDSACASA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](C)CCO ZINC000397881582 411683535 /nfs/dbraw/zinc/68/35/35/411683535.db2.gz NXILCHNWKFOJPS-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](C)CCO ZINC000397881582 411683538 /nfs/dbraw/zinc/68/35/38/411683538.db2.gz NXILCHNWKFOJPS-MRVPVSSYSA-N 1 2 240.307 0.888 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660933871 411684995 /nfs/dbraw/zinc/68/49/95/411684995.db2.gz ZUDQQQHFGYCTJB-YUMQZZPRSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660933871 411684996 /nfs/dbraw/zinc/68/49/96/411684996.db2.gz ZUDQQQHFGYCTJB-YUMQZZPRSA-N 1 2 208.265 0.885 20 0 BCADLO OCc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC000341633874 411692145 /nfs/dbraw/zinc/69/21/45/411692145.db2.gz KFCSFRWIAQQGNO-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO Cc1ccc(NC[C@H]2COCC[N@H+]2C)nn1 ZINC000624621873 411693080 /nfs/dbraw/zinc/69/30/80/411693080.db2.gz KPIIOFZOAGCCMF-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccc(NC[C@H]2COCC[N@@H+]2C)nn1 ZINC000624621873 411693084 /nfs/dbraw/zinc/69/30/84/411693084.db2.gz KPIIOFZOAGCCMF-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO OCc1cc[nH+]c(NCCC2CC(O)C2)c1 ZINC000641538391 411693662 /nfs/dbraw/zinc/69/36/62/411693662.db2.gz VXUKGGQNLSCRLJ-UHFFFAOYSA-N 1 2 222.288 1.147 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2c[nH+]c[nH]2)on1 ZINC000661085748 411695621 /nfs/dbraw/zinc/69/56/21/411695621.db2.gz PDXCPZIRZKPUEM-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2c[nH]c[nH+]2)on1 ZINC000661085748 411695623 /nfs/dbraw/zinc/69/56/23/411695623.db2.gz PDXCPZIRZKPUEM-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO CCc1nc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000661087648 411698479 /nfs/dbraw/zinc/69/84/79/411698479.db2.gz XAZSBGAVCDNBPL-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO CCc1nc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000661087648 411698482 /nfs/dbraw/zinc/69/84/82/411698482.db2.gz XAZSBGAVCDNBPL-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO C[N@H+](CCn1ccccc1=O)Cc1cnc[nH]1 ZINC000661086794 411699740 /nfs/dbraw/zinc/69/97/40/411699740.db2.gz HWQBYPNWAFPDEO-UHFFFAOYSA-N 1 2 232.287 0.703 20 0 BCADLO C[N@@H+](CCn1ccccc1=O)Cc1cnc[nH]1 ZINC000661086794 411699743 /nfs/dbraw/zinc/69/97/43/411699743.db2.gz HWQBYPNWAFPDEO-UHFFFAOYSA-N 1 2 232.287 0.703 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000661170751 411728635 /nfs/dbraw/zinc/72/86/35/411728635.db2.gz RCPWJEDOWXMEKK-CYBMUJFWSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000661170751 411728638 /nfs/dbraw/zinc/72/86/38/411728638.db2.gz RCPWJEDOWXMEKK-CYBMUJFWSA-N 1 2 238.331 0.720 20 0 BCADLO Cc1cc(CO)cc(NCCc2nc[nH]n2)[nH+]1 ZINC000663712256 411730896 /nfs/dbraw/zinc/73/08/96/411730896.db2.gz MLRYDKOGTQMFLK-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661207864 411732416 /nfs/dbraw/zinc/73/24/16/411732416.db2.gz PMTNSEAEXWXCGB-BDAKNGLRSA-N 1 2 240.307 0.975 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661207864 411732419 /nfs/dbraw/zinc/73/24/19/411732419.db2.gz PMTNSEAEXWXCGB-BDAKNGLRSA-N 1 2 240.307 0.975 20 0 BCADLO Cc1cn2nc(NCc3[nH+]ccn3C)sc2n1 ZINC000590772506 411733320 /nfs/dbraw/zinc/73/33/20/411733320.db2.gz DJAFNLRYLVBZDP-UHFFFAOYSA-N 1 2 248.315 1.445 20 0 BCADLO CC[C@@H](O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000490078602 411733400 /nfs/dbraw/zinc/73/34/00/411733400.db2.gz VQCPJXVPYZIZFA-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@@H](O)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000490078602 411733405 /nfs/dbraw/zinc/73/34/05/411733405.db2.gz VQCPJXVPYZIZFA-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCSC1 ZINC000563427059 411734317 /nfs/dbraw/zinc/73/43/17/411734317.db2.gz QFRQIZGUFSRCQQ-NSHDSACASA-N 1 2 239.344 1.373 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)NC(C)(C)C ZINC000569000885 411734916 /nfs/dbraw/zinc/73/49/16/411734916.db2.gz PNZUFTYLHITCRP-UHFFFAOYSA-N 1 2 236.319 1.420 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)NC(C)C ZINC000578925485 411735700 /nfs/dbraw/zinc/73/57/00/411735700.db2.gz YECJGPRLSVBOQP-UHFFFAOYSA-N 1 2 222.292 1.030 20 0 BCADLO Cc1cnc(C)nc1NCCn1cc[nH+]c1 ZINC000568413241 411735808 /nfs/dbraw/zinc/73/58/08/411735808.db2.gz ZNXNMLOQBWAWJV-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)[C@@H](C)CO ZINC000583214131 411737467 /nfs/dbraw/zinc/73/74/67/411737467.db2.gz KYNVLQGPTXVUJY-DTWKUNHWSA-N 1 2 209.293 1.522 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[S@@](C)=O ZINC000580745859 411737568 /nfs/dbraw/zinc/73/75/68/411737568.db2.gz ZREKWOPXCHAKFI-GLEZIHRCSA-N 1 2 227.333 1.272 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCOC1 ZINC000520901336 411738217 /nfs/dbraw/zinc/73/82/17/411738217.db2.gz FXCGOTIMPOSPGV-LLVKDONJSA-N 1 2 223.276 0.657 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)[C@@H](C)CO ZINC000583214134 411738322 /nfs/dbraw/zinc/73/83/22/411738322.db2.gz KYNVLQGPTXVUJY-IUCAKERBSA-N 1 2 209.293 1.522 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1cnc(C)[nH]c1=O ZINC000563427099 411738850 /nfs/dbraw/zinc/73/88/50/411738850.db2.gz QSGLTLXGRFBPRS-UHFFFAOYSA-N 1 2 245.286 1.510 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2cccnc2)[nH+]1 ZINC000359236878 411761441 /nfs/dbraw/zinc/76/14/41/411761441.db2.gz VQFFUPPLPCGABQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BCADLO Cc1nc(NCc2cccnc2)nc(N(C)C)[nH+]1 ZINC000359236878 411761446 /nfs/dbraw/zinc/76/14/46/411761446.db2.gz VQFFUPPLPCGABQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BCADLO Cc1[nH]c(CNc2nc(N(C)C)n[nH]2)[nH+]c1C ZINC000565238189 411763992 /nfs/dbraw/zinc/76/39/92/411763992.db2.gz NXNMHMDJNSDVHS-UHFFFAOYSA-N 1 2 235.295 0.823 20 0 BCADLO Cc1[nH]c(CNc2n[nH]c(N(C)C)n2)[nH+]c1C ZINC000565238189 411763996 /nfs/dbraw/zinc/76/39/96/411763996.db2.gz NXNMHMDJNSDVHS-UHFFFAOYSA-N 1 2 235.295 0.823 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H](O)C(C)C)[nH+]1 ZINC000488416557 411765867 /nfs/dbraw/zinc/76/58/67/411765867.db2.gz UZKBUGDMSPKFMM-SECBINFHSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(NC[C@@H](O)C(C)C)nc(N(C)C)[nH+]1 ZINC000488416557 411765872 /nfs/dbraw/zinc/76/58/72/411765872.db2.gz UZKBUGDMSPKFMM-SECBINFHSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2ccncn2)[nH+]1 ZINC000346102835 411768421 /nfs/dbraw/zinc/76/84/21/411768421.db2.gz NIYDJCGKSOWVCT-UHFFFAOYSA-N 1 2 245.290 0.648 20 0 BCADLO Cc1nc(NCc2ccncn2)nc(N(C)C)[nH+]1 ZINC000346102835 411768427 /nfs/dbraw/zinc/76/84/27/411768427.db2.gz NIYDJCGKSOWVCT-UHFFFAOYSA-N 1 2 245.290 0.648 20 0 BCADLO CCc1cc(NCCCc2c[nH][nH]c2=O)nc[nH+]1 ZINC000631360626 411768437 /nfs/dbraw/zinc/76/84/37/411768437.db2.gz FWQBNXKBTGIXMQ-SECBINFHSA-N 1 2 247.302 0.963 20 0 BCADLO C[C@H](CO)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401995 411768610 /nfs/dbraw/zinc/76/86/10/411768610.db2.gz AUHIFYIGUAASPD-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401995 411768612 /nfs/dbraw/zinc/76/86/12/411768612.db2.gz AUHIFYIGUAASPD-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CC23CC3)[nH+]1 ZINC000574034560 411768981 /nfs/dbraw/zinc/76/89/81/411768981.db2.gz VWGBZENYHNTBAI-MRVPVSSYSA-N 1 2 219.292 1.210 20 0 BCADLO Cc1nc(N[C@@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000574034560 411768986 /nfs/dbraw/zinc/76/89/86/411768986.db2.gz VWGBZENYHNTBAI-MRVPVSSYSA-N 1 2 219.292 1.210 20 0 BCADLO CCc1cc(NC[C@](C)(O)C(=O)OC)nc[nH+]1 ZINC000613332092 411769322 /nfs/dbraw/zinc/76/93/22/411769322.db2.gz PKVBQACPXQJNCQ-NSHDSACASA-N 1 2 239.275 0.375 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H]2C(F)F)[nH+]1 ZINC000343837983 411769473 /nfs/dbraw/zinc/76/94/73/411769473.db2.gz GGWLWIAKCLBFBZ-RQJHMYQMSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N[C@H]2C[C@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000343837983 411769475 /nfs/dbraw/zinc/76/94/75/411769475.db2.gz GGWLWIAKCLBFBZ-RQJHMYQMSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CO[C@H](C)C2)[nH+]1 ZINC000645391068 411769538 /nfs/dbraw/zinc/76/95/38/411769538.db2.gz BNDZOZCLZFRBDL-VXNVDRBHSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@H]2CO[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000645391068 411769542 /nfs/dbraw/zinc/76/95/42/411769542.db2.gz BNDZOZCLZFRBDL-VXNVDRBHSA-N 1 2 237.307 0.835 20 0 BCADLO CCc1cc(NC[C@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000644879509 411769867 /nfs/dbraw/zinc/76/98/67/411769867.db2.gz RBXSZGULWZHDKW-JTQLQIEISA-N 1 2 248.330 1.319 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661412084 411770643 /nfs/dbraw/zinc/77/06/43/411770643.db2.gz CUTVALAQPYWSRT-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661412084 411770645 /nfs/dbraw/zinc/77/06/45/411770645.db2.gz CUTVALAQPYWSRT-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO COc1nc(C)cc(NCCCn2cc[nH+]c2)n1 ZINC000354529490 411772634 /nfs/dbraw/zinc/77/26/34/411772634.db2.gz TXRFMTGQVATKSS-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BCADLO CCc1cc(NCCc2nc(N)n[nH]2)nc[nH+]1 ZINC000663919437 411775762 /nfs/dbraw/zinc/77/57/62/411775762.db2.gz AYULFLXBKUCLKG-UHFFFAOYSA-N 1 2 233.279 0.394 20 0 BCADLO C[C@@H](Nc1ncnc2c1nnn2C)c1[nH]cc[nH+]1 ZINC000663929270 411778532 /nfs/dbraw/zinc/77/85/32/411778532.db2.gz GNGAWBPHWCEWJJ-ZCFIWIBFSA-N 1 2 244.262 0.655 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CCC1 ZINC000661467869 411782510 /nfs/dbraw/zinc/78/25/10/411782510.db2.gz SXKHUUDSZSXRQI-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CCC1 ZINC000661467869 411782512 /nfs/dbraw/zinc/78/25/12/411782512.db2.gz SXKHUUDSZSXRQI-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCc1nnc(CNc2nc(C)[nH+]cc2C)[nH]1 ZINC000572424021 411786393 /nfs/dbraw/zinc/78/63/93/411786393.db2.gz WYSPVTGAJGUMDU-UHFFFAOYSA-N 1 2 232.291 1.386 20 0 BCADLO Cc1nc(NCc2n[nH]c(=O)n2C)cc[nH+]1 ZINC000631347530 411787261 /nfs/dbraw/zinc/78/72/61/411787261.db2.gz GNAJFWYGSIFJLD-UHFFFAOYSA-N 1 2 220.236 0.231 20 0 BCADLO Cc1nc(NCc2ccnc(N(C)C)n2)cc[nH+]1 ZINC000342789584 411787828 /nfs/dbraw/zinc/78/78/28/411787828.db2.gz QYNKTKQDEBAAQQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BCADLO Cc1cc(N2CC(=O)N[C@@H](C)C2)nc[nH+]1 ZINC000663975406 411790537 /nfs/dbraw/zinc/79/05/37/411790537.db2.gz WLUWVUNDXFOMMQ-QMMMGPOBSA-N 1 2 206.249 0.110 20 0 BCADLO Cc1nccnc1NC[C@@H]1COCC[N@H+]1C ZINC000624621678 411790668 /nfs/dbraw/zinc/79/06/68/411790668.db2.gz GHHYVZACKYVBKU-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nccnc1NC[C@@H]1COCC[N@@H+]1C ZINC000624621678 411790670 /nfs/dbraw/zinc/79/06/70/411790670.db2.gz GHHYVZACKYVBKU-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165887 411725697 /nfs/dbraw/zinc/72/56/97/411725697.db2.gz DSQUUXGRUCGGBY-GZMMTYOYSA-N 1 2 212.293 0.361 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165887 411725701 /nfs/dbraw/zinc/72/57/01/411725701.db2.gz DSQUUXGRUCGGBY-GZMMTYOYSA-N 1 2 212.293 0.361 20 0 BCADLO COc1ccnc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664128395 411863954 /nfs/dbraw/zinc/86/39/54/411863954.db2.gz XEBWPJULDXFANP-UHFFFAOYSA-N 1 2 219.248 0.845 20 0 BCADLO COc1ccnc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664128395 411863960 /nfs/dbraw/zinc/86/39/60/411863960.db2.gz XEBWPJULDXFANP-UHFFFAOYSA-N 1 2 219.248 0.845 20 0 BCADLO Cc1nnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000370429610 411797871 /nfs/dbraw/zinc/79/78/71/411797871.db2.gz BXYLGCZFNWIBRI-SNVBAGLBSA-N 1 2 238.291 0.653 20 0 BCADLO Cc1nnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000370429610 411797879 /nfs/dbraw/zinc/79/78/79/411797879.db2.gz BXYLGCZFNWIBRI-SNVBAGLBSA-N 1 2 238.291 0.653 20 0 BCADLO Cc1nc(N2CCC23COC3)nc(N(C)C)[nH+]1 ZINC000663974956 411798559 /nfs/dbraw/zinc/79/85/59/411798559.db2.gz VZJHBYYDZHZPGS-UHFFFAOYSA-N 1 2 235.291 0.225 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC23COC3)[nH+]1 ZINC000663974956 411798561 /nfs/dbraw/zinc/79/85/61/411798561.db2.gz VZJHBYYDZHZPGS-UHFFFAOYSA-N 1 2 235.291 0.225 20 0 BCADLO C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H](C)C1=O ZINC000661544830 411799433 /nfs/dbraw/zinc/79/94/33/411799433.db2.gz LRAWRINAMSWQAT-NXEZZACHSA-N 1 2 238.331 0.764 20 0 BCADLO Cc1nnc(NCCNc2cccc[nH+]2)nc1C ZINC000359334013 411802674 /nfs/dbraw/zinc/80/26/74/411802674.db2.gz VVDQBSAIJXTMPO-UHFFFAOYSA-N 1 2 244.302 1.407 20 0 BCADLO CCC[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661577761 411807554 /nfs/dbraw/zinc/80/75/54/411807554.db2.gz FLADTSRQPIRFJC-CHWSQXEVSA-N 1 2 242.363 0.554 20 0 BCADLO CCn1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000618041212 411809284 /nfs/dbraw/zinc/80/92/84/411809284.db2.gz HKEPRQNJBYSGIO-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000618041212 411809287 /nfs/dbraw/zinc/80/92/87/411809287.db2.gz HKEPRQNJBYSGIO-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO CC(C)(C)n1ncn(Cc2ccc[nH+]c2N)c1=O ZINC000664001834 411809368 /nfs/dbraw/zinc/80/93/68/411809368.db2.gz AUCGWZJKWDPWRS-UHFFFAOYSA-N 1 2 247.302 0.825 20 0 BCADLO C[N@@H+](Cc1cscn1)C[C@@H]1COCCO1 ZINC000661607908 411814413 /nfs/dbraw/zinc/81/44/13/411814413.db2.gz TUZLFFIHBQZWCF-SNVBAGLBSA-N 1 2 228.317 0.990 20 0 BCADLO C[N@H+](Cc1cscn1)C[C@@H]1COCCO1 ZINC000661607908 411814415 /nfs/dbraw/zinc/81/44/15/411814415.db2.gz TUZLFFIHBQZWCF-SNVBAGLBSA-N 1 2 228.317 0.990 20 0 BCADLO C[C@@H]1C[NH+](Cc2csnn2)C[C@@H](C)C1O ZINC000661622999 411819724 /nfs/dbraw/zinc/81/97/24/411819724.db2.gz XBGMOZDAEPQMSV-HTQZYQBOSA-N 1 2 227.333 0.987 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(C)n1 ZINC000583152548 411821791 /nfs/dbraw/zinc/82/17/91/411821791.db2.gz XLZYPVIDZUCVAT-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(C)n1 ZINC000583152548 411821795 /nfs/dbraw/zinc/82/17/95/411821795.db2.gz XLZYPVIDZUCVAT-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000664133571 411866535 /nfs/dbraw/zinc/86/65/35/411866535.db2.gz JJBPPPWURQBZMM-QMMMGPOBSA-N 1 2 233.275 0.351 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000664133571 411866540 /nfs/dbraw/zinc/86/65/40/411866540.db2.gz JJBPPPWURQBZMM-QMMMGPOBSA-N 1 2 233.275 0.351 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1=CCCOC1 ZINC000661658456 411833068 /nfs/dbraw/zinc/83/30/68/411833068.db2.gz UZAVEWZTNSOJNC-UHFFFAOYSA-N 1 2 249.318 0.787 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1=CCCOC1 ZINC000661658456 411833070 /nfs/dbraw/zinc/83/30/70/411833070.db2.gz UZAVEWZTNSOJNC-UHFFFAOYSA-N 1 2 249.318 0.787 20 0 BCADLO Cc1cc(CO)cc(N2CN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000664057768 411833513 /nfs/dbraw/zinc/83/35/13/411833513.db2.gz ITVKLZWFHIVGPU-VIFPVBQESA-N 1 2 235.287 0.507 20 0 BCADLO Cn1c2ccccc2[nH+]c1NCc1n[nH]c(=O)[nH]1 ZINC000342799130 411833728 /nfs/dbraw/zinc/83/37/28/411833728.db2.gz HLXLKIZUVWYQKI-UHFFFAOYSA-N 1 2 244.258 1.009 20 0 BCADLO C[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000414098969 411834409 /nfs/dbraw/zinc/83/44/09/411834409.db2.gz KBXILQBZDDLYAS-SECBINFHSA-N 1 2 235.287 0.821 20 0 BCADLO Cn1cc(CCCNc2ccc(CO)c[nH+]2)cn1 ZINC000639132346 411835252 /nfs/dbraw/zinc/83/52/52/411835252.db2.gz MGBOQLNFFWTGIN-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CCNC2=O)[nH+]1 ZINC000664136085 411866932 /nfs/dbraw/zinc/86/69/32/411866932.db2.gz VIFQGLFHZWPPIG-QMMMGPOBSA-N 1 2 231.259 0.567 20 0 BCADLO Cn1ccc(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000357325938 411840307 /nfs/dbraw/zinc/84/03/07/411840307.db2.gz DVCONHYLLXBJGU-UHFFFAOYSA-N 1 2 233.275 0.725 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000377373384 411845094 /nfs/dbraw/zinc/84/50/94/411845094.db2.gz MGNUMNWADKZARH-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccon1 ZINC000661713182 411853843 /nfs/dbraw/zinc/85/38/43/411853843.db2.gz FBYFSKXVUQLMLC-GZMMTYOYSA-N 1 2 237.259 0.070 20 0 BCADLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccon1 ZINC000661713182 411853846 /nfs/dbraw/zinc/85/38/46/411853846.db2.gz FBYFSKXVUQLMLC-GZMMTYOYSA-N 1 2 237.259 0.070 20 0 BCADLO CCN(C[C@@H]1CCOC1)c1nc(C)[nH+]c(N)n1 ZINC000631175013 411856481 /nfs/dbraw/zinc/85/64/81/411856481.db2.gz QYVPXTMQHXJWME-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO CCN(C[C@@H]1CCOC1)c1nc(N)nc(C)[nH+]1 ZINC000631175013 411856487 /nfs/dbraw/zinc/85/64/87/411856487.db2.gz QYVPXTMQHXJWME-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO CCN1CN(Cc2cc[nH+]c(N)c2)CC1=O ZINC000328601711 411857757 /nfs/dbraw/zinc/85/77/57/411857757.db2.gz FYRLLZYDDORVJW-UHFFFAOYSA-N 1 2 220.276 0.285 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000661723754 411860357 /nfs/dbraw/zinc/86/03/57/411860357.db2.gz SQUQIPHQYSNEBH-OVYXKVPISA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000661723754 411860360 /nfs/dbraw/zinc/86/03/60/411860360.db2.gz SQUQIPHQYSNEBH-OVYXKVPISA-N 1 2 223.276 0.896 20 0 BCADLO COCC1=CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631214471 411861254 /nfs/dbraw/zinc/86/12/54/411861254.db2.gz ZGWWLMSJJJJQCN-UHFFFAOYSA-N 1 2 235.291 0.545 20 0 BCADLO COCC1=CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631214471 411861260 /nfs/dbraw/zinc/86/12/60/411861260.db2.gz ZGWWLMSJJJJQCN-UHFFFAOYSA-N 1 2 235.291 0.545 20 0 BCADLO COC1CC(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637829212 411861490 /nfs/dbraw/zinc/86/14/90/411861490.db2.gz ZFDYYFHBBSQDTR-UHFFFAOYSA-N 1 2 221.260 1.027 20 0 BCADLO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)on1 ZINC000661804830 411887077 /nfs/dbraw/zinc/88/70/77/411887077.db2.gz OYUMFDCPNRMVPS-UHFFFAOYSA-N 1 2 239.275 0.347 20 0 BCADLO COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)on1 ZINC000661804830 411887079 /nfs/dbraw/zinc/88/70/79/411887079.db2.gz OYUMFDCPNRMVPS-UHFFFAOYSA-N 1 2 239.275 0.347 20 0 BCADLO CN1CC[N@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC000661807509 411888155 /nfs/dbraw/zinc/88/81/55/411888155.db2.gz VDDURWSNDKUTMU-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO CN1CC[N@@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC000661807509 411888159 /nfs/dbraw/zinc/88/81/59/411888159.db2.gz VDDURWSNDKUTMU-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC(=O)N(C)CC2)nc1 ZINC000661809501 411888967 /nfs/dbraw/zinc/88/89/67/411888967.db2.gz WEBTWLQGAAOKLV-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1cnc(C[N@H+]2CCC(=O)N(C)CC2)nc1 ZINC000661809501 411888969 /nfs/dbraw/zinc/88/89/69/411888969.db2.gz WEBTWLQGAAOKLV-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806084 411889717 /nfs/dbraw/zinc/88/97/17/411889717.db2.gz WLQMDPMFKVNTGC-SECBINFHSA-N 1 2 249.318 0.284 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806084 411889721 /nfs/dbraw/zinc/88/97/21/411889721.db2.gz WLQMDPMFKVNTGC-SECBINFHSA-N 1 2 249.318 0.284 20 0 BCADLO CCc1cnc(C[N@H+]2CCC(=O)N(C)CC2)o1 ZINC000661814481 411890654 /nfs/dbraw/zinc/89/06/54/411890654.db2.gz YAFWCLXQJZKUTD-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CCc1cnc(C[N@@H+]2CCC(=O)N(C)CC2)o1 ZINC000661814481 411890659 /nfs/dbraw/zinc/89/06/59/411890659.db2.gz YAFWCLXQJZKUTD-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CO[C@@H](C)CN=c1[nH+]c(N)[nH]c2c1CCCC2 ZINC000645221092 411890948 /nfs/dbraw/zinc/89/09/48/411890948.db2.gz FRPAMMAERLONPQ-QMMMGPOBSA-N 1 2 236.319 0.806 20 0 BCADLO OCCO[C@@]1(CNc2cccc[nH+]2)CCOC1 ZINC000664238356 411893124 /nfs/dbraw/zinc/89/31/24/411893124.db2.gz HOZQSMSKXGJEKC-GFCCVEGCSA-N 1 2 238.287 0.662 20 0 BCADLO CO[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631278809 411893157 /nfs/dbraw/zinc/89/31/57/411893157.db2.gz ORCNJDSEMWBCAD-RITPCOANSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@@H](C)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631278809 411893160 /nfs/dbraw/zinc/89/31/60/411893160.db2.gz ORCNJDSEMWBCAD-RITPCOANSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@@H](CNc1nc(C)[nH+]c(N)n1)CC(C)C ZINC000631313151 411895870 /nfs/dbraw/zinc/89/58/70/411895870.db2.gz LHXCOPYUFMVVPB-SECBINFHSA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@@H](CNc1nc(N)nc(C)[nH+]1)CC(C)C ZINC000631313151 411895874 /nfs/dbraw/zinc/89/58/74/411895874.db2.gz LHXCOPYUFMVVPB-SECBINFHSA-N 1 2 239.323 0.657 20 0 BCADLO CN1CC[C@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1=O ZINC000637829782 411897198 /nfs/dbraw/zinc/89/71/98/411897198.db2.gz PLNSIEZYMFHEAY-GFCCVEGCSA-N 1 2 248.286 0.471 20 0 BCADLO CO[C@H]1C[C@@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000631393116 411899199 /nfs/dbraw/zinc/89/91/99/411899199.db2.gz GTPRKRNDEGRARF-ZKCHVHJHSA-N 1 2 223.280 0.021 20 0 BCADLO CO[C@H]1C[C@@H](CNc2nc(N)nc(C)[nH+]2)C1 ZINC000631393116 411899202 /nfs/dbraw/zinc/89/92/02/411899202.db2.gz GTPRKRNDEGRARF-ZKCHVHJHSA-N 1 2 223.280 0.021 20 0 BCADLO CO[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631203113 411899497 /nfs/dbraw/zinc/89/94/97/411899497.db2.gz KJRYEZCMRGGOEM-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CO[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631203113 411899501 /nfs/dbraw/zinc/89/95/01/411899501.db2.gz KJRYEZCMRGGOEM-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCCOCC1 ZINC000578244732 411901970 /nfs/dbraw/zinc/90/19/70/411901970.db2.gz HAQPUORVYNTUIE-VIFPVBQESA-N 1 2 222.292 0.842 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCCOCC1 ZINC000578244732 411901971 /nfs/dbraw/zinc/90/19/71/411901971.db2.gz HAQPUORVYNTUIE-VIFPVBQESA-N 1 2 222.292 0.842 20 0 BCADLO CCn1ccc(CNc2nc(C)[nH+]c(N)n2)n1 ZINC000631299967 411903473 /nfs/dbraw/zinc/90/34/73/411903473.db2.gz WEANXIRZLMQIBM-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BCADLO CCn1ccc(CNc2nc(N)nc(C)[nH+]2)n1 ZINC000631299967 411903475 /nfs/dbraw/zinc/90/34/75/411903475.db2.gz WEANXIRZLMQIBM-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BCADLO CCn1cc(CC(=O)Nc2ccc(N)[nH+]c2)cn1 ZINC000637830123 411905061 /nfs/dbraw/zinc/90/50/61/411905061.db2.gz RPYJVJNNADMYGW-UHFFFAOYSA-N 1 2 245.286 1.061 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2ncnn2C)c[nH+]1 ZINC000664275276 411909355 /nfs/dbraw/zinc/90/93/55/411909355.db2.gz IXANESRSUZDCBX-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccccn2)c[nH+]1 ZINC000560501581 411915646 /nfs/dbraw/zinc/91/56/46/411915646.db2.gz MIYXCSVXNKSTMS-UHFFFAOYSA-N 1 2 243.270 0.692 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccn(C)c2)c[nH+]1 ZINC000567954610 411915756 /nfs/dbraw/zinc/91/57/56/411915756.db2.gz IITVHKAOZRAIGG-UHFFFAOYSA-N 1 2 245.286 0.636 20 0 BCADLO Cc1nn(C)cc1[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631097011 411917674 /nfs/dbraw/zinc/91/76/74/411917674.db2.gz OPOXPZNXLAECFO-LURJTMIESA-N 1 2 247.306 0.399 20 0 BCADLO Cc1nn(C)cc1[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631097011 411917684 /nfs/dbraw/zinc/91/76/84/411917684.db2.gz OPOXPZNXLAECFO-LURJTMIESA-N 1 2 247.306 0.399 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000570719046 411923803 /nfs/dbraw/zinc/92/38/03/411923803.db2.gz HNIKHQACGZXREU-CBAPKCEASA-N 1 2 243.332 0.307 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000570719046 411923805 /nfs/dbraw/zinc/92/38/05/411923805.db2.gz HNIKHQACGZXREU-CBAPKCEASA-N 1 2 243.332 0.307 20 0 BCADLO CN(C[C@@H]1COCCO1)c1cccc[nH+]1 ZINC000664342034 411926114 /nfs/dbraw/zinc/92/61/14/411926114.db2.gz RLHKXUMGQYGXST-SNVBAGLBSA-N 1 2 208.261 0.933 20 0 BCADLO Cc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)nc[nH+]1 ZINC000664340446 411926202 /nfs/dbraw/zinc/92/62/02/411926202.db2.gz ZIJPUXCNIICYAZ-GHMZBOCLSA-N 1 2 246.314 0.890 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2nccc(N)n2)C1 ZINC000374372359 411929699 /nfs/dbraw/zinc/92/96/99/411929699.db2.gz ZINFCVLAEMTNSP-SECBINFHSA-N 1 2 222.292 0.527 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000374372359 411929704 /nfs/dbraw/zinc/92/97/04/411929704.db2.gz ZINFCVLAEMTNSP-SECBINFHSA-N 1 2 222.292 0.527 20 0 BCADLO Cc1cccnc1CCNc1nc(C)[nH+]c(N)n1 ZINC000404680534 411934678 /nfs/dbraw/zinc/93/46/78/411934678.db2.gz HFBZMWCCMVJIGL-UHFFFAOYSA-N 1 2 244.302 0.542 20 0 BCADLO Nc1nc(N2CC(CO)C2)[nH+]c2ccccc12 ZINC000565457764 411936391 /nfs/dbraw/zinc/93/63/91/411936391.db2.gz DTBAUAGMMFBIOZ-UHFFFAOYSA-N 1 2 230.271 0.641 20 0 BCADLO Nc1ncc2c(n1)C[N@@H+](Cc1ccns1)CC2 ZINC000639815821 411938001 /nfs/dbraw/zinc/93/80/01/411938001.db2.gz YXUFPCFMQQADMI-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BCADLO Nc1ncc2c(n1)C[N@H+](Cc1ccns1)CC2 ZINC000639815821 411938007 /nfs/dbraw/zinc/93/80/07/411938007.db2.gz YXUFPCFMQQADMI-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BCADLO Cc1cncc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000631186737 411938090 /nfs/dbraw/zinc/93/80/90/411938090.db2.gz NDPUCXVVHQVCBO-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1cncc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000631186737 411938096 /nfs/dbraw/zinc/93/80/96/411938096.db2.gz NDPUCXVVHQVCBO-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1nc(NCC(C)(C)C[C@@H](C)O)nc(N)[nH+]1 ZINC000393652338 411938572 /nfs/dbraw/zinc/93/85/72/411938572.db2.gz DZFIVETTYIOLGP-SSDOTTSWSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(N)nc(NCC(C)(C)C[C@@H](C)O)[nH+]1 ZINC000393652338 411938578 /nfs/dbraw/zinc/93/85/78/411938578.db2.gz DZFIVETTYIOLGP-SSDOTTSWSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1cc(NCc2c[nH+]c(C)nc2N)ncn1 ZINC000631315085 411939817 /nfs/dbraw/zinc/93/98/17/411939817.db2.gz JTKRZAQXMWVBNZ-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Nc1cc(CN2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000333488610 411940467 /nfs/dbraw/zinc/94/04/67/411940467.db2.gz GMVKXZCDMUZIGB-UHFFFAOYSA-N 1 2 246.314 0.676 20 0 BCADLO Cc1nc(N(C)CCCOC(C)C)nc(N)[nH+]1 ZINC000382885795 411940493 /nfs/dbraw/zinc/94/04/93/411940493.db2.gz TXOFFXLZXILPNH-UHFFFAOYSA-N 1 2 239.323 1.014 20 0 BCADLO Cc1nc(N)nc(N(C)CCCOC(C)C)[nH+]1 ZINC000382885795 411940499 /nfs/dbraw/zinc/94/04/99/411940499.db2.gz TXOFFXLZXILPNH-UHFFFAOYSA-N 1 2 239.323 1.014 20 0 BCADLO C[N@H+](Cc1ccc(N)nc1)Cc1cnccn1 ZINC000647514500 411881598 /nfs/dbraw/zinc/88/15/98/411881598.db2.gz NBNZVEGLJDYGCX-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BCADLO C[N@@H+](Cc1ccc(N)nc1)Cc1cnccn1 ZINC000647514500 411881602 /nfs/dbraw/zinc/88/16/02/411881602.db2.gz NBNZVEGLJDYGCX-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BCADLO Cc1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc(N)[nH+]1 ZINC000631394786 411964464 /nfs/dbraw/zinc/96/44/64/411964464.db2.gz SKOLNVIDEIWFEA-DJLDLDEBSA-N 1 2 235.291 0.112 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]1 ZINC000631394786 411964466 /nfs/dbraw/zinc/96/44/66/411964466.db2.gz SKOLNVIDEIWFEA-DJLDLDEBSA-N 1 2 235.291 0.112 20 0 BCADLO Cc1nc(N2CCC[C@H](CO)[C@H]2C)nc(N)[nH+]1 ZINC000631303297 411964646 /nfs/dbraw/zinc/96/46/46/411964646.db2.gz MYBOLJWQSKLNDZ-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H](CO)[C@H]2C)[nH+]1 ZINC000631303297 411964649 /nfs/dbraw/zinc/96/46/49/411964649.db2.gz MYBOLJWQSKLNDZ-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000380688791 411964703 /nfs/dbraw/zinc/96/47/03/411964703.db2.gz AMOLIVRCJGZIJW-BQBZGAKWSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@@H]2C)[nH+]1 ZINC000380688791 411964707 /nfs/dbraw/zinc/96/47/07/411964707.db2.gz AMOLIVRCJGZIJW-BQBZGAKWSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N2CCc3ncsc3C2)nc(N)[nH+]1 ZINC000631234461 411965659 /nfs/dbraw/zinc/96/56/59/411965659.db2.gz DJCJMUBWPUKOHC-UHFFFAOYSA-N 1 2 248.315 0.781 20 0 BCADLO Cc1nc(N)nc(N2CCc3ncsc3C2)[nH+]1 ZINC000631234461 411965664 /nfs/dbraw/zinc/96/56/64/411965664.db2.gz DJCJMUBWPUKOHC-UHFFFAOYSA-N 1 2 248.315 0.781 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@](C)(CO)C2)nc(N)[nH+]1 ZINC000631371699 411965698 /nfs/dbraw/zinc/96/56/98/411965698.db2.gz CZQNWTIEORJGNA-HQJQHLMTSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)[C@](C)(CO)C2)[nH+]1 ZINC000631371699 411965704 /nfs/dbraw/zinc/96/57/04/411965704.db2.gz CZQNWTIEORJGNA-HQJQHLMTSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N2CC[C@]3(CC3(F)F)C2)nc(N)[nH+]1 ZINC000631332617 411965938 /nfs/dbraw/zinc/96/59/38/411965938.db2.gz JNZQPHJJWVHYHI-VIFPVBQESA-N 1 2 241.245 0.998 20 0 BCADLO Cc1nc(N)nc(N2CC[C@]3(CC3(F)F)C2)[nH+]1 ZINC000631332617 411965944 /nfs/dbraw/zinc/96/59/44/411965944.db2.gz JNZQPHJJWVHYHI-VIFPVBQESA-N 1 2 241.245 0.998 20 0 BCADLO Cc1nc(N[C@@H]2CSC[C@H]2C)nc(N)[nH+]1 ZINC000397908839 411967309 /nfs/dbraw/zinc/96/73/09/411967309.db2.gz XHULQHGYOFJFNH-IYSWYEEDSA-N 1 2 225.321 0.926 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CSC[C@H]2C)[nH+]1 ZINC000397908839 411967316 /nfs/dbraw/zinc/96/73/16/411967316.db2.gz XHULQHGYOFJFNH-IYSWYEEDSA-N 1 2 225.321 0.926 20 0 BCADLO Cc1nc(N[C@@H]2CS[C@H](C)C2)nc(N)[nH+]1 ZINC000397902613 411967618 /nfs/dbraw/zinc/96/76/18/411967618.db2.gz UKHBCOCMYCLNDJ-VDTYLAMSSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CS[C@H](C)C2)[nH+]1 ZINC000397902613 411967623 /nfs/dbraw/zinc/96/76/23/411967623.db2.gz UKHBCOCMYCLNDJ-VDTYLAMSSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N[C@H]2CS[C@@H](C)C2)nc(N)[nH+]1 ZINC000397902610 411968455 /nfs/dbraw/zinc/96/84/55/411968455.db2.gz UKHBCOCMYCLNDJ-CAHLUQPWSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CS[C@@H](C)C2)[nH+]1 ZINC000397902610 411968456 /nfs/dbraw/zinc/96/84/56/411968456.db2.gz UKHBCOCMYCLNDJ-CAHLUQPWSA-N 1 2 225.321 1.068 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@H](C)C2)nc(N)[nH+]1 ZINC000401429193 411968496 /nfs/dbraw/zinc/96/84/96/411968496.db2.gz FATWIGSVUMCDCB-VDTYLAMSSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC000401429193 411968498 /nfs/dbraw/zinc/96/84/98/411968498.db2.gz FATWIGSVUMCDCB-VDTYLAMSSA-N 1 2 209.253 0.352 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778159 411968661 /nfs/dbraw/zinc/96/86/61/411968661.db2.gz PYUPWKXZRONATE-JTQLQIEISA-N 1 2 244.302 1.119 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778159 411968665 /nfs/dbraw/zinc/96/86/65/411968665.db2.gz PYUPWKXZRONATE-JTQLQIEISA-N 1 2 244.302 1.119 20 0 BCADLO Cc1nc(N[C@H]2CCCSC2)nc(N)[nH+]1 ZINC000379823870 411968703 /nfs/dbraw/zinc/96/87/03/411968703.db2.gz UYBWUHFRIWDGRR-ZETCQYMHSA-N 1 2 225.321 1.070 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCCSC2)[nH+]1 ZINC000379823870 411968704 /nfs/dbraw/zinc/96/87/04/411968704.db2.gz UYBWUHFRIWDGRR-ZETCQYMHSA-N 1 2 225.321 1.070 20 0 BCADLO Cc1nc(N[C@H]2CCCn3nccc32)nc(N)[nH+]1 ZINC000631593660 411969066 /nfs/dbraw/zinc/96/90/66/411969066.db2.gz DZMMKKLKRPHHAS-QMMMGPOBSA-N 1 2 245.290 0.906 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCCn3nccc32)[nH+]1 ZINC000631593660 411969074 /nfs/dbraw/zinc/96/90/74/411969074.db2.gz DZMMKKLKRPHHAS-QMMMGPOBSA-N 1 2 245.290 0.906 20 0 BCADLO Cc1nc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc(N)[nH+]1 ZINC000631126403 411969187 /nfs/dbraw/zinc/96/91/87/411969187.db2.gz KDWGLJVVVMMHOD-HLTSFMKQSA-N 1 2 249.318 0.988 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[nH+]1 ZINC000631126403 411969192 /nfs/dbraw/zinc/96/91/92/411969192.db2.gz KDWGLJVVVMMHOD-HLTSFMKQSA-N 1 2 249.318 0.988 20 0 BCADLO NC(=O)CCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000647756496 411974526 /nfs/dbraw/zinc/97/45/26/411974526.db2.gz NKBDGHKSSNJBJR-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO Cc1nc(C[N@@H+]2CCC3(COC3)C2)no1 ZINC000662075639 411977584 /nfs/dbraw/zinc/97/75/84/411977584.db2.gz HGYMUQGFBQFBOH-UHFFFAOYSA-N 1 2 209.249 0.600 20 0 BCADLO Cc1nc(C[N@H+]2CCC3(COC3)C2)no1 ZINC000662075639 411977587 /nfs/dbraw/zinc/97/75/87/411977587.db2.gz HGYMUQGFBQFBOH-UHFFFAOYSA-N 1 2 209.249 0.600 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC3(COC3)C2)o1 ZINC000662076410 411979591 /nfs/dbraw/zinc/97/95/91/411979591.db2.gz HVQSPMQYASAAKQ-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO CCc1nnc(C[N@H+]2CCC3(COC3)C2)o1 ZINC000662076410 411979595 /nfs/dbraw/zinc/97/95/95/411979595.db2.gz HVQSPMQYASAAKQ-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO Cc1nc(N)c(CNC(=O)/C=C\C2CC2)c[nH+]1 ZINC000493004198 411980916 /nfs/dbraw/zinc/98/09/16/411980916.db2.gz JQXVAFIICAAGNV-PLNGDYQASA-N 1 2 232.287 0.950 20 0 BCADLO c1cnn(CC[N@@H+]2CCc3nccnc3C2)c1 ZINC000662119292 411990943 /nfs/dbraw/zinc/99/09/43/411990943.db2.gz NEFFWDCLNZLWJK-UHFFFAOYSA-N 1 2 229.287 0.731 20 0 BCADLO c1cnn(CC[N@H+]2CCc3nccnc3C2)c1 ZINC000662119292 411990945 /nfs/dbraw/zinc/99/09/45/411990945.db2.gz NEFFWDCLNZLWJK-UHFFFAOYSA-N 1 2 229.287 0.731 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2nccnc2C1 ZINC000662129768 411996333 /nfs/dbraw/zinc/99/63/33/411996333.db2.gz QMEROQYDZPBJQE-VIFPVBQESA-N 1 2 234.303 0.311 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2nccnc2C1 ZINC000662129768 411996335 /nfs/dbraw/zinc/99/63/35/411996335.db2.gz QMEROQYDZPBJQE-VIFPVBQESA-N 1 2 234.303 0.311 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664603989 411996943 /nfs/dbraw/zinc/99/69/43/411996943.db2.gz SJBOGARNECQKSC-HQJQHLMTSA-N 1 2 248.290 0.535 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662137681 411999746 /nfs/dbraw/zinc/99/97/46/411999746.db2.gz ZDCKSXRHVNOYOI-GZMMTYOYSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662137681 411999747 /nfs/dbraw/zinc/99/97/47/411999747.db2.gz ZDCKSXRHVNOYOI-GZMMTYOYSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662137684 411999833 /nfs/dbraw/zinc/99/98/33/411999833.db2.gz ZDCKSXRHVNOYOI-LDYMZIIASA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662137684 411999834 /nfs/dbraw/zinc/99/98/34/411999834.db2.gz ZDCKSXRHVNOYOI-LDYMZIIASA-N 1 2 225.292 0.828 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2C[C@H](O)C2)c1Cl ZINC000664642733 412002921 /nfs/dbraw/zinc/00/29/21/412002921.db2.gz CNDUDKZYMXKHMP-URHBZAFASA-N 1 2 214.656 0.647 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2C[C@H](O)C2)c1Cl ZINC000664642733 412002925 /nfs/dbraw/zinc/00/29/25/412002925.db2.gz CNDUDKZYMXKHMP-URHBZAFASA-N 1 2 214.656 0.647 20 0 BCADLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(N)=O ZINC000662160978 412013277 /nfs/dbraw/zinc/01/32/77/412013277.db2.gz KMCADACPLXEAHY-LHLIQPBNSA-N 1 2 244.241 0.462 20 0 BCADLO Cc1nc(N[C@@H](C)COCC2CC2)nc(N)[nH+]1 ZINC000631330815 411944044 /nfs/dbraw/zinc/94/40/44/411944044.db2.gz IRLWVKMRKIBTQQ-ZETCQYMHSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)COCC2CC2)[nH+]1 ZINC000631330815 411944048 /nfs/dbraw/zinc/94/40/48/411944048.db2.gz IRLWVKMRKIBTQQ-ZETCQYMHSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(NCCC(F)(F)F)nc(N)[nH+]1 ZINC000379798437 411944091 /nfs/dbraw/zinc/94/40/91/411944091.db2.gz JFOSWATYQFMIAP-UHFFFAOYSA-N 1 2 221.186 0.548 20 0 BCADLO Cc1nc(N)nc(NCCC(F)(F)F)[nH+]1 ZINC000379798437 411944094 /nfs/dbraw/zinc/94/40/94/411944094.db2.gz JFOSWATYQFMIAP-UHFFFAOYSA-N 1 2 221.186 0.548 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000398925047 411944324 /nfs/dbraw/zinc/94/43/24/411944324.db2.gz MUJUYJUUSNWWLA-QMMMGPOBSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCOC2)[nH+]1 ZINC000398925047 411944328 /nfs/dbraw/zinc/94/43/28/411944328.db2.gz MUJUYJUUSNWWLA-QMMMGPOBSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1nc(NC[C@H](C)c2ccncc2)nc(N)[nH+]1 ZINC000631152223 411944681 /nfs/dbraw/zinc/94/46/81/411944681.db2.gz SNAWRUUGZFWRIN-QMMMGPOBSA-N 1 2 244.302 0.795 20 0 BCADLO Cc1nc(N)nc(NC[C@H](C)c2ccncc2)[nH+]1 ZINC000631152223 411944685 /nfs/dbraw/zinc/94/46/85/411944685.db2.gz SNAWRUUGZFWRIN-QMMMGPOBSA-N 1 2 244.302 0.795 20 0 BCADLO Cc1nc(N[C@@H](C)c2cscn2)nc(N)[nH+]1 ZINC000631365025 411947119 /nfs/dbraw/zinc/94/71/19/411947119.db2.gz LFHHVZDQAIMCBY-YFKPBYRVSA-N 1 2 236.304 0.814 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2cscn2)[nH+]1 ZINC000631365025 411947123 /nfs/dbraw/zinc/94/71/23/411947123.db2.gz LFHHVZDQAIMCBY-YFKPBYRVSA-N 1 2 236.304 0.814 20 0 BCADLO Nc1cc2c(nn1)CCN(c1cccc[nH+]1)C2 ZINC000364920924 411952783 /nfs/dbraw/zinc/95/27/83/411952783.db2.gz ASLKYKWXAQTIBZ-UHFFFAOYSA-N 1 2 227.271 1.017 20 0 BCADLO Nc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000647539098 411954926 /nfs/dbraw/zinc/95/49/26/411954926.db2.gz WNVPESOYUZOTEO-NSHDSACASA-N 1 2 225.267 0.570 20 0 BCADLO Nc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000647539098 411954929 /nfs/dbraw/zinc/95/49/29/411954929.db2.gz WNVPESOYUZOTEO-NSHDSACASA-N 1 2 225.267 0.570 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037974 411955655 /nfs/dbraw/zinc/95/56/55/411955655.db2.gz VEXGQMAICJQPLA-DTWKUNHWSA-N 1 2 208.265 0.273 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037974 411955659 /nfs/dbraw/zinc/95/56/59/411955659.db2.gz VEXGQMAICJQPLA-DTWKUNHWSA-N 1 2 208.265 0.273 20 0 BCADLO Cc1nc(N2CCC[C@@H](F)C2)nc(N)[nH+]1 ZINC000631262618 411958235 /nfs/dbraw/zinc/95/82/35/411958235.db2.gz RPZZPINVTAVPBW-SSDOTTSWSA-N 1 2 211.244 0.701 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000631262618 411958242 /nfs/dbraw/zinc/95/82/42/411958242.db2.gz RPZZPINVTAVPBW-SSDOTTSWSA-N 1 2 211.244 0.701 20 0 BCADLO Nc1ccc(CNC(=O)Nc2ccncn2)c[nH+]1 ZINC000338434079 411958347 /nfs/dbraw/zinc/95/83/47/411958347.db2.gz AIUNXWXXISEGNK-UHFFFAOYSA-N 1 2 244.258 0.776 20 0 BCADLO Cc1cc(N)nc(SC[C@@H]2CNC(=O)C2)[nH+]1 ZINC000400266021 411958712 /nfs/dbraw/zinc/95/87/12/411958712.db2.gz UYJLPJCLPUDZKY-ZETCQYMHSA-N 1 2 238.316 0.595 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCCOC1 ZINC000578765636 411959556 /nfs/dbraw/zinc/95/95/56/411959556.db2.gz IQLYBTBWOSOYPK-ZETCQYMHSA-N 1 2 248.290 0.536 20 0 BCADLO Nc1ccc(NC(=O)c2cn3c(n2)CCC3)c[nH+]1 ZINC000566237187 411960343 /nfs/dbraw/zinc/96/03/43/411960343.db2.gz MLZHOILHLQEFKD-UHFFFAOYSA-N 1 2 243.270 1.059 20 0 BCADLO Cc1nc(N2CCC3(CCOC3)CC2)nc(N)[nH+]1 ZINC000631263220 411960818 /nfs/dbraw/zinc/96/08/18/411960818.db2.gz YSIFCAKECYDQRB-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CCC3(CCOC3)CC2)[nH+]1 ZINC000631263220 411960820 /nfs/dbraw/zinc/96/08/20/411960820.db2.gz YSIFCAKECYDQRB-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N2CCO[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631195913 411961005 /nfs/dbraw/zinc/96/10/05/411961005.db2.gz DPEPAXIQWYIVPP-VIFPVBQESA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](C(C)C)C2)[nH+]1 ZINC000631195913 411961009 /nfs/dbraw/zinc/96/10/09/411961009.db2.gz DPEPAXIQWYIVPP-VIFPVBQESA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nc(N2CC[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631365655 411961692 /nfs/dbraw/zinc/96/16/92/411961692.db2.gz XPDJAXGKYKGURB-SFYZADRCSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631365655 411961695 /nfs/dbraw/zinc/96/16/95/411961695.db2.gz XPDJAXGKYKGURB-SFYZADRCSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N2CCCC(F)(F)C2)nc(N)[nH+]1 ZINC000405039783 411961846 /nfs/dbraw/zinc/96/18/46/411961846.db2.gz VFQABRQQACSATQ-UHFFFAOYSA-N 1 2 229.234 0.998 20 0 BCADLO Cc1nc(N)nc(N2CCCC(F)(F)C2)[nH+]1 ZINC000405039783 411961853 /nfs/dbraw/zinc/96/18/53/411961853.db2.gz VFQABRQQACSATQ-UHFFFAOYSA-N 1 2 229.234 0.998 20 0 BCADLO Cc1nc(N2CC[C@@H](C(F)F)C2)nc(N)[nH+]1 ZINC000631263071 411962398 /nfs/dbraw/zinc/96/23/98/411962398.db2.gz WSDKHHWVCKTIPT-ZCFIWIBFSA-N 1 2 229.234 0.854 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C(F)F)C2)[nH+]1 ZINC000631263071 411962402 /nfs/dbraw/zinc/96/24/02/411962402.db2.gz WSDKHHWVCKTIPT-ZCFIWIBFSA-N 1 2 229.234 0.854 20 0 BCADLO Cc1nc(N2CCC[C@@](C)(O)C2)nc(N)[nH+]1 ZINC000631187514 411962985 /nfs/dbraw/zinc/96/29/85/411962985.db2.gz JBMGIEXYAUUSGV-SNVBAGLBSA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@](C)(O)C2)[nH+]1 ZINC000631187514 411962992 /nfs/dbraw/zinc/96/29/92/411962992.db2.gz JBMGIEXYAUUSGV-SNVBAGLBSA-N 1 2 223.280 0.113 20 0 BCADLO CC1(C)C[N@H+](CC(N)=O)[C@H]1c1ccncc1 ZINC000664830735 412029181 /nfs/dbraw/zinc/02/91/81/412029181.db2.gz BUJGDKVYKROLHE-NSHDSACASA-N 1 2 219.288 0.950 20 0 BCADLO CC1(C)C[N@@H+](CC(N)=O)[C@H]1c1ccncc1 ZINC000664830735 412029188 /nfs/dbraw/zinc/02/91/88/412029188.db2.gz BUJGDKVYKROLHE-NSHDSACASA-N 1 2 219.288 0.950 20 0 BCADLO C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245116 412040704 /nfs/dbraw/zinc/04/07/04/412040704.db2.gz KOEIUCSQBFPCBY-RYUDHWBXSA-N 1 2 239.363 0.191 20 0 BCADLO C[NH2+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662247082 412044521 /nfs/dbraw/zinc/04/45/21/412044521.db2.gz YQPAXXHAWLXYAX-LBPRGKRZSA-N 1 2 239.363 0.191 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)N(C)C)CCO1 ZINC000362475304 171081352 /nfs/dbraw/zinc/08/13/52/171081352.db2.gz YCPCAKMRQGKFET-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)N(C)C)CCO1 ZINC000362475304 171081353 /nfs/dbraw/zinc/08/13/53/171081353.db2.gz YCPCAKMRQGKFET-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H](C)O1 ZINC000336648251 171097097 /nfs/dbraw/zinc/09/70/97/171097097.db2.gz OIPONOMBCPOJNN-IVZWLZJFSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H](C)O1 ZINC000336648251 171097099 /nfs/dbraw/zinc/09/70/99/171097099.db2.gz OIPONOMBCPOJNN-IVZWLZJFSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCCCOC ZINC000115741054 171105892 /nfs/dbraw/zinc/10/58/92/171105892.db2.gz LGUCISUXUHXGDF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)NCCCOC ZINC000115741054 171105895 /nfs/dbraw/zinc/10/58/95/171105895.db2.gz LGUCISUXUHXGDF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1CC1 ZINC000355946883 171109344 /nfs/dbraw/zinc/10/93/44/171109344.db2.gz RCQSSLSVPFKPMX-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1CC1 ZINC000355946883 171109346 /nfs/dbraw/zinc/10/93/46/171109346.db2.gz RCQSSLSVPFKPMX-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC ZINC000336470211 171112687 /nfs/dbraw/zinc/11/26/87/171112687.db2.gz RQMGIAUFRVBREB-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC ZINC000336470211 171112689 /nfs/dbraw/zinc/11/26/89/171112689.db2.gz RQMGIAUFRVBREB-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333251977 171136320 /nfs/dbraw/zinc/13/63/20/171136320.db2.gz KLPSICOYACVWRF-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333251977 171136322 /nfs/dbraw/zinc/13/63/22/171136322.db2.gz KLPSICOYACVWRF-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000366702554 171139607 /nfs/dbraw/zinc/13/96/07/171139607.db2.gz OIRQZNGMJPPOIF-GMTAPVOTSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC ZINC000366702554 171139610 /nfs/dbraw/zinc/13/96/10/171139610.db2.gz OIRQZNGMJPPOIF-GMTAPVOTSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272526871 171164580 /nfs/dbraw/zinc/16/45/80/171164580.db2.gz SQVZEHZYWWNFAQ-NSHDSACASA-N 1 2 225.292 0.999 20 0 BCADLO CC[C@@](C)([NH2+]Cc1ncc(C)cn1)C(N)=O ZINC000336732409 171175407 /nfs/dbraw/zinc/17/54/07/171175407.db2.gz JLPVORCMCLGISM-LLVKDONJSA-N 1 2 222.292 0.529 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000336762941 171175982 /nfs/dbraw/zinc/17/59/82/171175982.db2.gz OKIZEZVMMZTPNY-PSASIEDQSA-N 1 2 235.349 0.642 20 0 BCADLO CC[C@@](C)(NCc1c[nH+]cn1C)C(=O)OC ZINC000293122141 171176178 /nfs/dbraw/zinc/17/61/78/171176178.db2.gz KNBHSISMBUMTMA-LLVKDONJSA-N 1 2 225.292 0.851 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000083467495 171180010 /nfs/dbraw/zinc/18/00/10/171180010.db2.gz UILYHAVIJVLOSW-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO CC[C@@](C)(O)CNC(=O)NCc1[nH+]ccn1C ZINC000264320544 171182332 /nfs/dbraw/zinc/18/23/32/171182332.db2.gz TZJBFALKYRZCBK-LLVKDONJSA-N 1 2 240.307 0.380 20 0 BCADLO CC[C@H](C(=O)OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000338815867 171239954 /nfs/dbraw/zinc/23/99/54/171239954.db2.gz NRKHOYLSCYKHOX-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352874953 171244456 /nfs/dbraw/zinc/24/44/56/171244456.db2.gz ITFRRXOGYUXJCU-PIAUOXEZSA-N 1 2 246.376 0.482 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352874953 171244458 /nfs/dbraw/zinc/24/44/58/171244458.db2.gz ITFRRXOGYUXJCU-PIAUOXEZSA-N 1 2 246.376 0.482 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2ncccc2C1 ZINC000367848552 171245605 /nfs/dbraw/zinc/24/56/05/171245605.db2.gz UTBOVWBUADYKAV-LLVKDONJSA-N 1 2 219.288 0.704 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2ncccc2C1 ZINC000367848552 171245608 /nfs/dbraw/zinc/24/56/08/171245608.db2.gz UTBOVWBUADYKAV-LLVKDONJSA-N 1 2 219.288 0.704 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355075060 171251311 /nfs/dbraw/zinc/25/13/11/171251311.db2.gz TXXPBXZHVRUOQV-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355075060 171251312 /nfs/dbraw/zinc/25/13/12/171251312.db2.gz TXXPBXZHVRUOQV-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000308727246 171286551 /nfs/dbraw/zinc/28/65/51/171286551.db2.gz HEZQUKACSRDKKH-IUCAKERBSA-N 1 2 203.282 0.810 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000330639877 171325423 /nfs/dbraw/zinc/32/54/23/171325423.db2.gz DXERNGROSOGGKL-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000330639877 171325425 /nfs/dbraw/zinc/32/54/25/171325425.db2.gz DXERNGROSOGGKL-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590133 171325598 /nfs/dbraw/zinc/32/55/98/171325598.db2.gz SJKBETWKSXPTST-GXSJLCMTSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338590133 171325599 /nfs/dbraw/zinc/32/55/99/171325599.db2.gz SJKBETWKSXPTST-GXSJLCMTSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340223811 171333658 /nfs/dbraw/zinc/33/36/58/171333658.db2.gz ZJTLBAVEGACHBI-GUBZILKMSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340223811 171333660 /nfs/dbraw/zinc/33/36/60/171333660.db2.gz ZJTLBAVEGACHBI-GUBZILKMSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1c[nH+]c[nH]1 ZINC000330394091 171353722 /nfs/dbraw/zinc/35/37/22/171353722.db2.gz IMYSIYSLSBWQNN-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1c[nH]c[nH+]1 ZINC000330394091 171353724 /nfs/dbraw/zinc/35/37/24/171353724.db2.gz IMYSIYSLSBWQNN-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)NC)C(=O)OC ZINC000309411704 171374497 /nfs/dbraw/zinc/37/44/97/171374497.db2.gz BXYBITBFYURQMU-WCBMZHEXSA-N 1 2 230.308 0.300 20 0 BCADLO C[C@]1(C(F)F)C[N@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000662367060 412125230 /nfs/dbraw/zinc/12/52/30/412125230.db2.gz CVFLSWKTJVSBOJ-GZMMTYOYSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000662367060 412125231 /nfs/dbraw/zinc/12/52/31/412125231.db2.gz CVFLSWKTJVSBOJ-GZMMTYOYSA-N 1 2 248.273 0.621 20 0 BCADLO CN(C)c1ccc(NCc2cn(C)nn2)[nH+]c1 ZINC000427772750 412198704 /nfs/dbraw/zinc/19/87/04/412198704.db2.gz GOCQZHRALLCVQO-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO C[C@H](CNc1cccnn1)Cn1cc[nH+]c1 ZINC000390294552 412209329 /nfs/dbraw/zinc/20/93/29/412209329.db2.gz AFCHIBYNOCFORU-SNVBAGLBSA-N 1 2 217.276 1.421 20 0 BCADLO Cn1c[nH+]cc1CNc1cc(C#N)ncn1 ZINC000381590160 412160804 /nfs/dbraw/zinc/16/08/04/412160804.db2.gz JDRGEHMAEOAHAU-UHFFFAOYSA-N 1 2 214.232 0.694 20 0 BCADLO CC(=O)NCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000368558910 412165663 /nfs/dbraw/zinc/16/56/63/412165663.db2.gz YRVKJNAVKJOQOH-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccon1 ZINC000626472056 412254688 /nfs/dbraw/zinc/25/46/88/412254688.db2.gz AXVZEXMFZXHGIA-QMMMGPOBSA-N 1 2 240.263 0.127 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccon1 ZINC000626472056 412254692 /nfs/dbraw/zinc/25/46/92/412254692.db2.gz AXVZEXMFZXHGIA-QMMMGPOBSA-N 1 2 240.263 0.127 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C2CC2)ncn1 ZINC000641678739 412254821 /nfs/dbraw/zinc/25/48/21/412254821.db2.gz SLWFMPSYYBXUSD-NSHDSACASA-N 1 2 248.330 1.097 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cc(C2CC2)ncn1 ZINC000641678739 412254825 /nfs/dbraw/zinc/25/48/25/412254825.db2.gz SLWFMPSYYBXUSD-NSHDSACASA-N 1 2 248.330 1.097 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2cc3c(nn2)CCC3)C1 ZINC000585741337 412255498 /nfs/dbraw/zinc/25/54/98/412255498.db2.gz INJQPIMOBKUBLX-LLVKDONJSA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2cc3c(nn2)CCC3)C1 ZINC000585741337 412255503 /nfs/dbraw/zinc/25/55/03/412255503.db2.gz INJQPIMOBKUBLX-LLVKDONJSA-N 1 2 248.330 0.708 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cccnn1 ZINC000624621184 412256330 /nfs/dbraw/zinc/25/63/30/412256330.db2.gz WHLQVGXOTCYERB-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cccnn1 ZINC000624621184 412256332 /nfs/dbraw/zinc/25/63/32/412256332.db2.gz WHLQVGXOTCYERB-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO CC(C)c1nnc(NCC[NH+]2CCOCC2)o1 ZINC000450210532 412323601 /nfs/dbraw/zinc/32/36/01/412323601.db2.gz IPFGJWKHHZPVRE-UHFFFAOYSA-N 1 2 240.307 0.937 20 0 BCADLO CC(C)c1nc(N[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000599830188 412324351 /nfs/dbraw/zinc/32/43/51/412324351.db2.gz MMGCWLUGFMTEGK-VIFPVBQESA-N 1 2 234.303 1.243 20 0 BCADLO CC1(F)CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000640070055 412331986 /nfs/dbraw/zinc/33/19/86/412331986.db2.gz SPXJRBDQSYDILH-UHFFFAOYSA-N 1 2 241.266 1.437 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1cc[nH+]c(C)n1 ZINC000525705643 412334307 /nfs/dbraw/zinc/33/43/07/412334307.db2.gz FBWPZLYVCZXYJA-SECBINFHSA-N 1 2 233.275 0.709 20 0 BCADLO CCCCc1cc(NCCn2ncnn2)nc[nH+]1 ZINC000631166710 412346948 /nfs/dbraw/zinc/34/69/48/412346948.db2.gz ZCCJBBPHTDOGNF-UHFFFAOYSA-N 1 2 247.306 0.918 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)no1 ZINC000334694902 412354750 /nfs/dbraw/zinc/35/47/50/412354750.db2.gz SKVKPBDRUMPCKF-OCAPTIKFSA-N 1 2 223.276 1.404 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)no1 ZINC000334694902 412354751 /nfs/dbraw/zinc/35/47/51/412354751.db2.gz SKVKPBDRUMPCKF-OCAPTIKFSA-N 1 2 223.276 1.404 20 0 BCADLO CCCNC(=O)CCNc1nc(C)[nH+]cc1C ZINC000570293285 412355454 /nfs/dbraw/zinc/35/54/54/412355454.db2.gz UOTLFNGHNMFNOO-UHFFFAOYSA-N 1 2 236.319 1.422 20 0 BCADLO CCCN1C[C@@H](CNc2cc[nH+]c(C)n2)CC1=O ZINC000420656914 412355554 /nfs/dbraw/zinc/35/55/54/412355554.db2.gz VRCWBWLGXFLEIR-LLVKDONJSA-N 1 2 248.330 1.455 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334334421 412359073 /nfs/dbraw/zinc/35/90/73/412359073.db2.gz XNXXVPMGPRAZDL-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO CCC[C@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000383150530 412365004 /nfs/dbraw/zinc/36/50/04/412365004.db2.gz ZVNJIHHQTZMFQX-MRVPVSSYSA-N 1 2 240.307 1.294 20 0 BCADLO CCC[C@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000383150530 412365006 /nfs/dbraw/zinc/36/50/06/412365006.db2.gz ZVNJIHHQTZMFQX-MRVPVSSYSA-N 1 2 240.307 1.294 20 0 BCADLO CCC[C@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000647868351 412365655 /nfs/dbraw/zinc/36/56/55/412365655.db2.gz RGXWJSUEYBSHGX-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO CCC[C@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000647868351 412365658 /nfs/dbraw/zinc/36/56/58/412365658.db2.gz RGXWJSUEYBSHGX-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO CNc1nc(N(C)CCO)[nH+]c2ccccc21 ZINC000450208954 412304841 /nfs/dbraw/zinc/30/48/41/412304841.db2.gz RKSCVPQDCYTWLG-UHFFFAOYSA-N 1 2 232.287 1.100 20 0 BCADLO COCC[C@@H](C)CNc1nc[nH+]c(N)c1OC ZINC000572899930 412373234 /nfs/dbraw/zinc/37/32/34/412373234.db2.gz PNQWCBHYBBWSEX-MRVPVSSYSA-N 1 2 240.307 1.152 20 0 BCADLO COCC[C@@H](C)CNc1[nH+]cnc(N)c1OC ZINC000572899930 412373235 /nfs/dbraw/zinc/37/32/35/412373235.db2.gz PNQWCBHYBBWSEX-MRVPVSSYSA-N 1 2 240.307 1.152 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000663217910 412393627 /nfs/dbraw/zinc/39/36/27/412393627.db2.gz OOORMOGMAFJBTO-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000663217910 412393628 /nfs/dbraw/zinc/39/36/28/412393628.db2.gz OOORMOGMAFJBTO-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)CN1CC(=O)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663227902 412395599 /nfs/dbraw/zinc/39/55/99/412395599.db2.gz OYPIMVNJXVTNFT-ZDUSSCGKSA-N 1 2 248.330 0.916 20 0 BCADLO CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663237270 412397694 /nfs/dbraw/zinc/39/76/94/412397694.db2.gz HMMDSSOLGLIABA-UHFFFAOYSA-N 1 2 241.335 0.370 20 0 BCADLO NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663237550 412398203 /nfs/dbraw/zinc/39/82/03/412398203.db2.gz LOLKQWPXURSQAY-UHFFFAOYSA-N 1 2 227.308 0.109 20 0 BCADLO CCn1[nH]c(C)nc1=NCc1c[nH+]c2n1CCC2 ZINC000663259013 412402611 /nfs/dbraw/zinc/40/26/11/412402611.db2.gz UYGMSXZLMGEKFQ-UHFFFAOYSA-N 1 2 246.318 0.783 20 0 BCADLO COc1nc(C)cc(-n2c[nH+]c(CCCO)c2)n1 ZINC000680623598 487623054 /nfs/dbraw/zinc/62/30/54/487623054.db2.gz YBFYAFOIJQXTSC-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO CCc1nc(C[NH2+][C@@H](C)[C@@H](C)CO)no1 ZINC000309036578 171986232 /nfs/dbraw/zinc/98/62/32/171986232.db2.gz IMIHNQCIIDUDHZ-YUMQZZPRSA-N 1 2 213.281 0.739 20 0 BCADLO CCc1[nH+]c2ccccc2n1CC(=O)NCCO ZINC000058401419 172013970 /nfs/dbraw/zinc/01/39/70/172013970.db2.gz VEEBBTJOZIRKOL-UHFFFAOYSA-N 1 2 247.298 0.707 20 0 BCADLO CCc1nn(C)cc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000357158842 172040292 /nfs/dbraw/zinc/04/02/92/172040292.db2.gz ZTGIOFTWTTWDOK-UHFFFAOYSA-N 1 2 247.302 0.944 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(CO)CC2)o1 ZINC000331418923 172048633 /nfs/dbraw/zinc/04/86/33/172048633.db2.gz ASIVRLRIUZPUDI-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(CO)CC2)o1 ZINC000331418923 172048636 /nfs/dbraw/zinc/04/86/36/172048636.db2.gz ASIVRLRIUZPUDI-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000047496288 172049005 /nfs/dbraw/zinc/04/90/05/172049005.db2.gz YXZGQTHJKGRIIP-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2CO)o1 ZINC000047496288 172049007 /nfs/dbraw/zinc/04/90/07/172049007.db2.gz YXZGQTHJKGRIIP-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCOCC2)o1 ZINC000407947790 172050771 /nfs/dbraw/zinc/05/07/71/172050771.db2.gz ANKTXOYOCQILKB-UHFFFAOYSA-N 1 2 211.265 0.854 20 0 BCADLO CCc1nnc(C[N@H+]2CCCOCC2)o1 ZINC000407947790 172050773 /nfs/dbraw/zinc/05/07/73/172050773.db2.gz ANKTXOYOCQILKB-UHFFFAOYSA-N 1 2 211.265 0.854 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)o1 ZINC000109329851 172052169 /nfs/dbraw/zinc/05/21/69/172052169.db2.gz VYTXBABFLIWHBJ-VIFPVBQESA-N 1 2 240.307 0.622 20 0 BCADLO CCc1nnc([C@H]2C[N@H+](CCOC)CCO2)o1 ZINC000331343015 172068016 /nfs/dbraw/zinc/06/80/16/172068016.db2.gz ZBSSTNXUTFCRAF-SECBINFHSA-N 1 2 241.291 0.652 20 0 BCADLO CCc1nnc([C@H]2C[N@@H+](CCOC)CCO2)o1 ZINC000331343015 172068018 /nfs/dbraw/zinc/06/80/18/172068018.db2.gz ZBSSTNXUTFCRAF-SECBINFHSA-N 1 2 241.291 0.652 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000353136948 172097706 /nfs/dbraw/zinc/09/77/06/172097706.db2.gz KZVCSEDSGVMIBR-GXSJLCMTSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000353136948 172097707 /nfs/dbraw/zinc/09/77/07/172097707.db2.gz KZVCSEDSGVMIBR-GXSJLCMTSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000353136951 172098297 /nfs/dbraw/zinc/09/82/97/172098297.db2.gz KZVCSEDSGVMIBR-ONGXEEELSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000353136951 172098298 /nfs/dbraw/zinc/09/82/98/172098298.db2.gz KZVCSEDSGVMIBR-ONGXEEELSA-N 1 2 240.303 0.819 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)CC[C@@H](C)O ZINC000304291451 172138335 /nfs/dbraw/zinc/13/83/35/172138335.db2.gz CPAIDDRMRDFGTM-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)CC[C@@H](C)O ZINC000304291451 172138338 /nfs/dbraw/zinc/13/83/38/172138338.db2.gz CPAIDDRMRDFGTM-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+](CCO)C1CCC1 ZINC000331749034 172139059 /nfs/dbraw/zinc/13/90/59/172139059.db2.gz DXZBZIZHRCAHQL-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](CCO)C1CCC1 ZINC000331749034 172139061 /nfs/dbraw/zinc/13/90/61/172139061.db2.gz DXZBZIZHRCAHQL-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1cc(CC[N@H+](C)[C@H](C)C(=O)OC)cn1 ZINC000284824963 172158297 /nfs/dbraw/zinc/15/82/97/172158297.db2.gz AISICTPSPDOUTF-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCn1cc(CC[N@@H+](C)[C@H](C)C(=O)OC)cn1 ZINC000284824963 172158298 /nfs/dbraw/zinc/15/82/98/172158298.db2.gz AISICTPSPDOUTF-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCn1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000162006851 172162310 /nfs/dbraw/zinc/16/23/10/172162310.db2.gz HQBQISZVHYURER-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO CCn1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000162006851 172162313 /nfs/dbraw/zinc/16/23/13/172162313.db2.gz HQBQISZVHYURER-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000265396163 172162781 /nfs/dbraw/zinc/16/27/81/172162781.db2.gz WFHQZLUCMWSIMG-LLVKDONJSA-N 1 2 236.319 0.566 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000265396163 172162785 /nfs/dbraw/zinc/16/27/85/172162785.db2.gz WFHQZLUCMWSIMG-LLVKDONJSA-N 1 2 236.319 0.566 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000353635538 172164488 /nfs/dbraw/zinc/16/44/88/172164488.db2.gz BDVBMGLEXMTHAN-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000353635538 172164491 /nfs/dbraw/zinc/16/44/91/172164491.db2.gz BDVBMGLEXMTHAN-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc(CNC(=O)CCn2cc[nH+]c2)cn1 ZINC000265368774 172167857 /nfs/dbraw/zinc/16/78/57/172167857.db2.gz FDZMUBXBLKWZCV-UHFFFAOYSA-N 1 2 247.302 0.806 20 0 BCADLO CCn1ccnc1C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000336699773 172222215 /nfs/dbraw/zinc/22/22/15/172222215.db2.gz YMWKDPFUTSRPOL-QWRGUYRKSA-N 1 2 239.319 0.749 20 0 BCADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CO ZINC000336152413 172230158 /nfs/dbraw/zinc/23/01/58/172230158.db2.gz PBEGYKGWKXWBAP-JTQLQIEISA-N 1 2 237.303 0.949 20 0 BCADLO CCn1cnnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000356201640 172237990 /nfs/dbraw/zinc/23/79/90/172237990.db2.gz FAMUFSCXBGRNEY-UHFFFAOYSA-N 1 2 234.263 0.592 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CCn2cccn2)n1 ZINC000294673823 172246087 /nfs/dbraw/zinc/24/60/87/172246087.db2.gz CTXSTOIEFRCCKK-UHFFFAOYSA-N 1 2 248.334 0.935 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CCn2cccn2)n1 ZINC000294673823 172246090 /nfs/dbraw/zinc/24/60/90/172246090.db2.gz CTXSTOIEFRCCKK-UHFFFAOYSA-N 1 2 248.334 0.935 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368327468 172259792 /nfs/dbraw/zinc/25/97/92/172259792.db2.gz GACAXJBXRHATIF-NEPJUHHUSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1nccc1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368327468 172259794 /nfs/dbraw/zinc/25/97/94/172259794.db2.gz GACAXJBXRHATIF-NEPJUHHUSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000338569429 172261525 /nfs/dbraw/zinc/26/15/25/172261525.db2.gz UKWRAKOLIXIFBX-UHFFFAOYSA-N 1 2 246.318 0.622 20 0 BCADLO CCn1nccc1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000338569429 172261527 /nfs/dbraw/zinc/26/15/27/172261527.db2.gz UKWRAKOLIXIFBX-UHFFFAOYSA-N 1 2 246.318 0.622 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000289702551 172264457 /nfs/dbraw/zinc/26/44/57/172264457.db2.gz OPOFHZXNHKBLOY-GHMZBOCLSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000289702551 172264460 /nfs/dbraw/zinc/26/44/60/172264460.db2.gz OPOFHZXNHKBLOY-GHMZBOCLSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000248724921 172278471 /nfs/dbraw/zinc/27/84/71/172278471.db2.gz HSTLTJSQGQEYSW-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000248724921 172278473 /nfs/dbraw/zinc/27/84/73/172278473.db2.gz HSTLTJSQGQEYSW-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336682157 172280669 /nfs/dbraw/zinc/28/06/69/172280669.db2.gz BYCUCYSUAHGIOH-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336682157 172280671 /nfs/dbraw/zinc/28/06/71/172280671.db2.gz BYCUCYSUAHGIOH-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332741838 172281101 /nfs/dbraw/zinc/28/11/01/172281101.db2.gz ZRJCNPLSEXXXHY-IUCAKERBSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332741838 172281104 /nfs/dbraw/zinc/28/11/04/172281104.db2.gz ZRJCNPLSEXXXHY-IUCAKERBSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1nncc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000328899438 172289004 /nfs/dbraw/zinc/28/90/04/172289004.db2.gz YXPTXCDPVNRODP-UHFFFAOYSA-N 1 2 246.274 0.151 20 0 BCADLO CCn1nncc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000293546510 172290629 /nfs/dbraw/zinc/29/06/29/172290629.db2.gz QSQUWULIAMNLOD-VIFPVBQESA-N 1 2 248.290 0.313 20 0 BCADLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000339172305 172306475 /nfs/dbraw/zinc/30/64/75/172306475.db2.gz PQANGEVBWPUCIO-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000339172307 172306909 /nfs/dbraw/zinc/30/69/09/172306909.db2.gz PQANGEVBWPUCIO-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000120634052 172366478 /nfs/dbraw/zinc/36/64/78/172366478.db2.gz ASBKIEYIZFQOTL-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000120634052 172366479 /nfs/dbraw/zinc/36/64/79/172366479.db2.gz ASBKIEYIZFQOTL-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CN(C)C(=O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000278466559 172371518 /nfs/dbraw/zinc/37/15/18/172371518.db2.gz WEXPBUPLQJCESV-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CN(C)C(=O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000278466559 172371519 /nfs/dbraw/zinc/37/15/19/172371519.db2.gz WEXPBUPLQJCESV-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CN(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000134380550 172376158 /nfs/dbraw/zinc/37/61/58/172376158.db2.gz CPXVXHKIDQBSIR-UHFFFAOYSA-N 1 2 210.281 0.887 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC000299560629 172385041 /nfs/dbraw/zinc/38/50/41/172385041.db2.gz FJMGTDCGJNMINH-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC000299560629 172385043 /nfs/dbraw/zinc/38/50/43/172385043.db2.gz FJMGTDCGJNMINH-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CN(C)C(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000299560629 172385047 /nfs/dbraw/zinc/38/50/47/172385047.db2.gz FJMGTDCGJNMINH-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cncc(F)c1 ZINC000274401137 172609530 /nfs/dbraw/zinc/60/95/30/172609530.db2.gz XWYLFOMCMUVAOP-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cncc(F)c1 ZINC000274401137 172609533 /nfs/dbraw/zinc/60/95/33/172609533.db2.gz XWYLFOMCMUVAOP-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO CN1CC(=O)N(C[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000329503624 172974328 /nfs/dbraw/zinc/97/43/28/172974328.db2.gz ZBOZLAXNUCEHAB-SECBINFHSA-N 1 2 248.286 0.655 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@](C)(O)C2CCC2)CC1 ZINC000362367116 173071178 /nfs/dbraw/zinc/07/11/78/173071178.db2.gz YVWFQYDLPWUWDL-LBPRGKRZSA-N 1 2 226.320 0.312 20 0 BCADLO C[NH+]1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000370791016 173075865 /nfs/dbraw/zinc/07/58/65/173075865.db2.gz SZTWECHKLHODIQ-UHFFFAOYSA-N 1 2 211.309 0.032 20 0 BCADLO CN1CC[N@H+](C[C@H](O)Cc2ccccc2)CC1=O ZINC000119309908 173084905 /nfs/dbraw/zinc/08/49/05/173084905.db2.gz CFLYTSCKQVEHQP-CYBMUJFWSA-N 1 2 248.326 0.364 20 0 BCADLO CN1CC[N@@H+](C[C@H](O)Cc2ccccc2)CC1=O ZINC000119309908 173084906 /nfs/dbraw/zinc/08/49/06/173084906.db2.gz CFLYTSCKQVEHQP-CYBMUJFWSA-N 1 2 248.326 0.364 20 0 BCADLO CN1CC[N@H+](C[C@@H](O)Cc2ccccc2)CC1=O ZINC000119310036 173085174 /nfs/dbraw/zinc/08/51/74/173085174.db2.gz CFLYTSCKQVEHQP-ZDUSSCGKSA-N 1 2 248.326 0.364 20 0 BCADLO CN1CC[N@@H+](C[C@@H](O)Cc2ccccc2)CC1=O ZINC000119310036 173085177 /nfs/dbraw/zinc/08/51/77/173085177.db2.gz CFLYTSCKQVEHQP-ZDUSSCGKSA-N 1 2 248.326 0.364 20 0 BCADLO CN1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000308829267 173085267 /nfs/dbraw/zinc/08/52/67/173085267.db2.gz IWSMWIUAGLRJPY-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO Cn1cc[nH+]c1CN1CCN(C)C(=O)C1(C)C ZINC000268023942 173090883 /nfs/dbraw/zinc/09/08/83/173090883.db2.gz KBEFNYSKWIPMAH-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC23CCC3)C1 ZINC000336411846 173099745 /nfs/dbraw/zinc/09/97/45/173099745.db2.gz FDZUORVICRBXDS-SNVBAGLBSA-N 1 2 224.304 0.472 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC23CCC3)C1 ZINC000336411846 173099747 /nfs/dbraw/zinc/09/97/47/173099747.db2.gz FDZUORVICRBXDS-SNVBAGLBSA-N 1 2 224.304 0.472 20 0 BCADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(N)=O)C1 ZINC000332182781 173101006 /nfs/dbraw/zinc/10/10/06/173101006.db2.gz XADQVGPMORTXEV-SNVBAGLBSA-N 1 2 227.308 0.108 20 0 BCADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(N)=O)C1 ZINC000332182781 173101008 /nfs/dbraw/zinc/10/10/08/173101008.db2.gz XADQVGPMORTXEV-SNVBAGLBSA-N 1 2 227.308 0.108 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC23CCC(CC2)C3)C1 ZINC000371761107 173101025 /nfs/dbraw/zinc/10/10/25/173101025.db2.gz TWPOKPHKSJYDAR-QWKFWESOSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC23CCC(CC2)C3)C1 ZINC000371761107 173101031 /nfs/dbraw/zinc/10/10/31/173101031.db2.gz TWPOKPHKSJYDAR-QWKFWESOSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC000369935916 173104024 /nfs/dbraw/zinc/10/40/24/173104024.db2.gz OICHGKUACXFXQW-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC000369935916 173104027 /nfs/dbraw/zinc/10/40/27/173104027.db2.gz OICHGKUACXFXQW-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000135055742 173107285 /nfs/dbraw/zinc/10/72/85/173107285.db2.gz RSSLEBZGUILPMA-VIFPVBQESA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000135055742 173107287 /nfs/dbraw/zinc/10/72/87/173107287.db2.gz RSSLEBZGUILPMA-VIFPVBQESA-N 1 2 239.250 0.490 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N)cc2)C1 ZINC000083888786 173108317 /nfs/dbraw/zinc/10/83/17/173108317.db2.gz CXYREUAPSAZSBU-GFCCVEGCSA-N 1 2 249.314 0.329 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N)cc2)C1 ZINC000083888786 173108321 /nfs/dbraw/zinc/10/83/21/173108321.db2.gz CXYREUAPSAZSBU-GFCCVEGCSA-N 1 2 249.314 0.329 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ccccn2)C1 ZINC000082643956 173108705 /nfs/dbraw/zinc/10/87/05/173108705.db2.gz SHHNQPDEDWZLPQ-SNVBAGLBSA-N 1 2 207.277 0.824 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ccccn2)C1 ZINC000082643956 173108707 /nfs/dbraw/zinc/10/87/07/173108707.db2.gz SHHNQPDEDWZLPQ-SNVBAGLBSA-N 1 2 207.277 0.824 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ccc(F)cn2)C1 ZINC000085791128 173108806 /nfs/dbraw/zinc/10/88/06/173108806.db2.gz OWTWJSLGWQXRDW-SNVBAGLBSA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ccc(F)cn2)C1 ZINC000085791128 173108810 /nfs/dbraw/zinc/10/88/10/173108810.db2.gz OWTWJSLGWQXRDW-SNVBAGLBSA-N 1 2 225.267 0.963 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCc3ncccc3C2)C1=O ZINC000368334157 173150135 /nfs/dbraw/zinc/15/01/35/173150135.db2.gz VNKIWZXKNGRYHJ-LBPRGKRZSA-N 1 2 231.299 0.670 20 0 BCADLO CN1CC[C@H]([N@H+]2CCc3ncccc3C2)C1=O ZINC000368334157 173150138 /nfs/dbraw/zinc/15/01/38/173150138.db2.gz VNKIWZXKNGRYHJ-LBPRGKRZSA-N 1 2 231.299 0.670 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000336274762 173151163 /nfs/dbraw/zinc/15/11/63/173151163.db2.gz WVCGCYRAMYDWJS-WDEREUQCSA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000336274762 173151166 /nfs/dbraw/zinc/15/11/66/173151166.db2.gz WVCGCYRAMYDWJS-WDEREUQCSA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C1=O ZINC000172624349 173154531 /nfs/dbraw/zinc/15/45/31/173154531.db2.gz SKVLCNVIVCFLAC-QWRGUYRKSA-N 1 2 247.298 0.033 20 0 BCADLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2c[nH]cn2)C1=O ZINC000284936239 173189806 /nfs/dbraw/zinc/18/98/06/173189806.db2.gz UZAXESRSJZRSGP-GHMZBOCLSA-N 1 2 234.303 0.462 20 0 BCADLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2c[nH]cn2)C1=O ZINC000284936239 173189809 /nfs/dbraw/zinc/18/98/09/173189809.db2.gz UZAXESRSJZRSGP-GHMZBOCLSA-N 1 2 234.303 0.462 20 0 BCADLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc[nH]2)C1=O ZINC000284936239 173189811 /nfs/dbraw/zinc/18/98/11/173189811.db2.gz UZAXESRSJZRSGP-GHMZBOCLSA-N 1 2 234.303 0.462 20 0 BCADLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc[nH]2)C1=O ZINC000284936239 173189813 /nfs/dbraw/zinc/18/98/13/173189813.db2.gz UZAXESRSJZRSGP-GHMZBOCLSA-N 1 2 234.303 0.462 20 0 BCADLO CN1C[C@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000373241916 173198766 /nfs/dbraw/zinc/19/87/66/173198766.db2.gz GORNGMQBLANJKE-VIFPVBQESA-N 1 2 236.275 0.226 20 0 BCADLO CN1C[C@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000373241916 173198769 /nfs/dbraw/zinc/19/87/69/173198769.db2.gz GORNGMQBLANJKE-VIFPVBQESA-N 1 2 236.275 0.226 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000285102456 173227427 /nfs/dbraw/zinc/22/74/27/173227427.db2.gz QTYLSFCTOSBTTN-UHFFFAOYSA-N 1 2 223.251 0.399 20 0 BCADLO CNC(=O)C1C[NH+](Cc2csc(C)n2)C1 ZINC000285262348 173227920 /nfs/dbraw/zinc/22/79/20/173227920.db2.gz ZRESAWYGGKREME-UHFFFAOYSA-N 1 2 225.317 0.629 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1nnc(C)s1 ZINC000330638037 173238069 /nfs/dbraw/zinc/23/80/69/173238069.db2.gz AVGVFFWRJBKTTE-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1nnc(C)s1 ZINC000330638037 173238071 /nfs/dbraw/zinc/23/80/71/173238071.db2.gz AVGVFFWRJBKTTE-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CNC(=O)CN(C)Cc1cc(OC)cc[nH+]1 ZINC000264382715 173269604 /nfs/dbraw/zinc/26/96/04/173269604.db2.gz CMTHDOPMBGJESG-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000149708737 173270478 /nfs/dbraw/zinc/27/04/78/173270478.db2.gz LSUYZKSJARGNEC-UHFFFAOYSA-N 1 2 238.287 0.579 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000149708737 173270480 /nfs/dbraw/zinc/27/04/80/173270480.db2.gz LSUYZKSJARGNEC-UHFFFAOYSA-N 1 2 238.287 0.579 20 0 BCADLO CNC(=O)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000265385947 173271759 /nfs/dbraw/zinc/27/17/59/173271759.db2.gz SDUJPIICSCPILL-UHFFFAOYSA-N 1 2 234.303 0.845 20 0 BCADLO CNC(=O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000299084492 173272411 /nfs/dbraw/zinc/27/24/11/173272411.db2.gz ZFAATRYXVXCFSE-UHFFFAOYSA-N 1 2 218.260 0.745 20 0 BCADLO CNC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295211778 173273206 /nfs/dbraw/zinc/27/32/06/173273206.db2.gz PHNIIPMKJJCICR-UHFFFAOYSA-N 1 2 231.299 0.917 20 0 BCADLO CNC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295211778 173273207 /nfs/dbraw/zinc/27/32/07/173273207.db2.gz PHNIIPMKJJCICR-UHFFFAOYSA-N 1 2 231.299 0.917 20 0 BCADLO CNC(=O)CN1CCC[N@H+](C/C=C/Cl)CC1 ZINC000364011687 173274182 /nfs/dbraw/zinc/27/41/82/173274182.db2.gz KMUZNZKERMPSJG-DUXPYHPUSA-N 1 2 245.754 0.493 20 0 BCADLO CNC(=O)CN1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000364011687 173274183 /nfs/dbraw/zinc/27/41/83/173274183.db2.gz KMUZNZKERMPSJG-DUXPYHPUSA-N 1 2 245.754 0.493 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366582507 173275561 /nfs/dbraw/zinc/27/55/61/173275561.db2.gz BRKMQKNOPYMCTC-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366582507 173275562 /nfs/dbraw/zinc/27/55/62/173275562.db2.gz BRKMQKNOPYMCTC-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000293167208 173278501 /nfs/dbraw/zinc/27/85/01/173278501.db2.gz NDWRUPINNAYSFV-SECBINFHSA-N 1 2 244.241 0.334 20 0 BCADLO CNC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000268988408 173285018 /nfs/dbraw/zinc/28/50/18/173285018.db2.gz RGPMMVQOXFZGNH-NSCUHMNNSA-N 1 2 217.700 0.696 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267296 173287795 /nfs/dbraw/zinc/28/77/95/173287795.db2.gz DOPVTVBWHSZKAT-KCJUWKMLSA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000336267296 173287796 /nfs/dbraw/zinc/28/77/96/173287796.db2.gz DOPVTVBWHSZKAT-KCJUWKMLSA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)NCC(=O)Nc1cc[nH+]cc1C ZINC000270510059 173290359 /nfs/dbraw/zinc/29/03/59/173290359.db2.gz OHXIBTMCATYRRS-UHFFFAOYSA-N 1 2 222.248 0.258 20 0 BCADLO CNC(=O)N[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000341555244 173292830 /nfs/dbraw/zinc/29/28/30/173292830.db2.gz QCKLYDGIBGXDSL-VIFPVBQESA-N 1 2 235.291 0.293 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289894538 173294162 /nfs/dbraw/zinc/29/41/62/173294162.db2.gz MRBOGFSEWKUEJO-YUMQZZPRSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289894538 173294163 /nfs/dbraw/zinc/29/41/63/173294163.db2.gz MRBOGFSEWKUEJO-YUMQZZPRSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000272902360 173300338 /nfs/dbraw/zinc/30/03/38/173300338.db2.gz PVPHZYLAMSCJQX-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000272902360 173300339 /nfs/dbraw/zinc/30/03/39/173300339.db2.gz PVPHZYLAMSCJQX-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000272902356 173300490 /nfs/dbraw/zinc/30/04/90/173300490.db2.gz PVPHZYLAMSCJQX-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000272902356 173300491 /nfs/dbraw/zinc/30/04/91/173300491.db2.gz PVPHZYLAMSCJQX-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000292313436 173303930 /nfs/dbraw/zinc/30/39/30/173303930.db2.gz OIRZSHIVEYTXMU-QMMMGPOBSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000292313436 173303931 /nfs/dbraw/zinc/30/39/31/173303931.db2.gz OIRZSHIVEYTXMU-QMMMGPOBSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000234356872 173304425 /nfs/dbraw/zinc/30/44/25/173304425.db2.gz IFEJONFVJRFLAG-BYPYZUCNSA-N 1 2 229.671 0.259 20 0 BCADLO CNC(=O)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000234356872 173304426 /nfs/dbraw/zinc/30/44/26/173304426.db2.gz IFEJONFVJRFLAG-BYPYZUCNSA-N 1 2 229.671 0.259 20 0 BCADLO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc[nH]n1 ZINC000309497128 173304679 /nfs/dbraw/zinc/30/46/79/173304679.db2.gz YQKKOMDQBMSHAX-VIFPVBQESA-N 1 2 242.348 0.367 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000269658244 173307112 /nfs/dbraw/zinc/30/71/12/173307112.db2.gz NSMQHNPYTFZVEL-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000269658244 173307113 /nfs/dbraw/zinc/30/71/13/173307113.db2.gz NSMQHNPYTFZVEL-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000309536960 173307938 /nfs/dbraw/zinc/30/79/38/173307938.db2.gz FEVHOHNYOQDIEQ-UWVGGRQHSA-N 1 2 222.292 0.414 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000272739279 173308389 /nfs/dbraw/zinc/30/83/89/173308389.db2.gz KNDSEFWZJDTXDU-LLVKDONJSA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000272739279 173308390 /nfs/dbraw/zinc/30/83/90/173308390.db2.gz KNDSEFWZJDTXDU-LLVKDONJSA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000358295826 173310372 /nfs/dbraw/zinc/31/03/72/173310372.db2.gz KRWFPQHNKZJPRF-UHFFFAOYSA-N 1 2 235.287 0.273 20 0 BCADLO C[NH2+]C[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000237264753 173363248 /nfs/dbraw/zinc/36/32/48/173363248.db2.gz VPGBCZSGGHBTFO-SSDOTTSWSA-N 1 2 233.275 0.752 20 0 BCADLO COC(=O)[C@@]1(C)CCCN1Cc1c[nH+]cn1C ZINC000186360598 173758068 /nfs/dbraw/zinc/75/80/68/173758068.db2.gz SUEASHBSICTBGX-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000332728474 173816533 /nfs/dbraw/zinc/81/65/33/173816533.db2.gz SYBNCOCCCJJGOE-QMMMGPOBSA-N 1 2 241.316 0.841 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000332728474 173816536 /nfs/dbraw/zinc/81/65/36/173816536.db2.gz SYBNCOCCCJJGOE-QMMMGPOBSA-N 1 2 241.316 0.841 20 0 BCADLO COC1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000340923652 174015678 /nfs/dbraw/zinc/01/56/78/174015678.db2.gz YOAMFKAUTJZICT-UHFFFAOYSA-N 1 2 237.303 0.909 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336423879 174033797 /nfs/dbraw/zinc/03/37/97/174033797.db2.gz ADNLHFLNNDKTGC-SECBINFHSA-N 1 2 235.287 0.303 20 0 BCADLO COCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082276418 174040966 /nfs/dbraw/zinc/04/09/66/174040966.db2.gz JOSPACKHTZXYLT-SECBINFHSA-N 1 2 223.276 0.762 20 0 BCADLO COCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082276417 174041881 /nfs/dbraw/zinc/04/18/81/174041881.db2.gz JOSPACKHTZXYLT-VIFPVBQESA-N 1 2 223.276 0.762 20 0 BCADLO 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/nfs/dbraw/zinc/09/99/70/175099970.db2.gz FTRWADPHRAGLDO-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccc2nc(C[N@@H+]3CC[C@@H](O)C3)[nH]c2n1 ZINC000355007126 175228206 /nfs/dbraw/zinc/22/82/06/175228206.db2.gz QJCBOZXKPXYUPI-MRVPVSSYSA-N 1 2 248.286 0.533 20 0 BCADLO COc1ccc2nc(C[N@H+]3CC[C@@H](O)C3)[nH]c2n1 ZINC000355007126 175228207 /nfs/dbraw/zinc/22/82/07/175228207.db2.gz QJCBOZXKPXYUPI-MRVPVSSYSA-N 1 2 248.286 0.533 20 0 BCADLO COc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000378325419 175258228 /nfs/dbraw/zinc/25/82/28/175258228.db2.gz FNMUXJUDTRARMM-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000378325419 175258229 /nfs/dbraw/zinc/25/82/29/175258229.db2.gz FNMUXJUDTRARMM-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000378325420 175258275 /nfs/dbraw/zinc/25/82/75/175258275.db2.gz FNMUXJUDTRARMM-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000378325420 175258276 /nfs/dbraw/zinc/25/82/76/175258276.db2.gz FNMUXJUDTRARMM-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cccc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000171826380 175259004 /nfs/dbraw/zinc/25/90/04/175259004.db2.gz IDIWGIMIWDTFMC-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cccc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000171826380 175259005 /nfs/dbraw/zinc/25/90/05/175259005.db2.gz IDIWGIMIWDTFMC-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127392077 175327989 /nfs/dbraw/zinc/32/79/89/175327989.db2.gz JYINMTHAYNVINS-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COc1ccccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127392077 175327991 /nfs/dbraw/zinc/32/79/91/175327991.db2.gz JYINMTHAYNVINS-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COc1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 ZINC000106859326 175358811 /nfs/dbraw/zinc/35/88/11/175358811.db2.gz VBDHBPPXFRIRSM-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1cc[nH+]c(CN2CC[C@@](F)(CO)C2)c1 ZINC000338584472 175359881 /nfs/dbraw/zinc/35/98/81/175359881.db2.gz CHNNWYLMXWJNOM-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccnc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338584472 175359882 /nfs/dbraw/zinc/35/98/82/175359882.db2.gz CHNNWYLMXWJNOM-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccnc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338584472 175359884 /nfs/dbraw/zinc/35/98/84/175359884.db2.gz CHNNWYLMXWJNOM-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cc[nH+]c(CN2CC[C@](F)(CO)C2)c1 ZINC000338584471 175360322 /nfs/dbraw/zinc/36/03/22/175360322.db2.gz CHNNWYLMXWJNOM-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccnc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338584471 175360325 /nfs/dbraw/zinc/36/03/25/175360325.db2.gz CHNNWYLMXWJNOM-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccnc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338584471 175360327 /nfs/dbraw/zinc/36/03/27/175360327.db2.gz CHNNWYLMXWJNOM-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)NCCF ZINC000293329695 175370032 /nfs/dbraw/zinc/37/00/32/175370032.db2.gz KGVRZESXXMJJGL-UHFFFAOYSA-N 1 2 227.239 0.859 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H](O)C(C)C ZINC000294637380 175371379 /nfs/dbraw/zinc/37/13/79/175371379.db2.gz PSTIGDOAIIBEME-NSHDSACASA-N 1 2 238.287 0.723 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)CC(N)=O ZINC000282900976 175374704 /nfs/dbraw/zinc/37/47/04/175374704.db2.gz CQUXUBIBXVQJHF-ZETCQYMHSA-N 1 2 237.259 0.540 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1cn(C)nn1 ZINC000341619357 175376370 /nfs/dbraw/zinc/37/63/70/175376370.db2.gz TXLODPHTABHCDI-UHFFFAOYSA-N 1 2 233.231 0.471 20 0 BCADLO C[C@@H](O)CCN(C)c1[nH+]cnc2c1cnn2C ZINC000135260062 175955191 /nfs/dbraw/zinc/95/51/91/175955191.db2.gz XCSVLGRQCOPWQW-MRVPVSSYSA-N 1 2 235.291 0.570 20 0 BCADLO C[C@@H](Oc1cccnc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000359125211 176006351 /nfs/dbraw/zinc/00/63/51/176006351.db2.gz UIZFWQDAXSJRIJ-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO C[C@@H](Oc1cccnc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000359125211 176006354 /nfs/dbraw/zinc/00/63/54/176006354.db2.gz UIZFWQDAXSJRIJ-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296113430 176027500 /nfs/dbraw/zinc/02/75/00/176027500.db2.gz HDCXPRZXICHEHJ-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296113430 176027501 /nfs/dbraw/zinc/02/75/01/176027501.db2.gz HDCXPRZXICHEHJ-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1ccccn1)[NH+]1CCN(CC(N)=O)CC1 ZINC000139739490 176027654 /nfs/dbraw/zinc/02/76/54/176027654.db2.gz DNRJWXKZROTWKZ-NSHDSACASA-N 1 2 248.330 0.246 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330821959 176035227 /nfs/dbraw/zinc/03/52/27/176035227.db2.gz HMRIMFXINZKGSO-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330821959 176035229 /nfs/dbraw/zinc/03/52/29/176035229.db2.gz HMRIMFXINZKGSO-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271750087 176035646 /nfs/dbraw/zinc/03/56/46/176035646.db2.gz YINCKHCARROFSW-QMMMGPOBSA-N 1 2 233.275 0.686 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271750087 176035649 /nfs/dbraw/zinc/03/56/49/176035649.db2.gz YINCKHCARROFSW-QMMMGPOBSA-N 1 2 233.275 0.686 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+](C)CC(=O)NC1CC1 ZINC000184425937 176036109 /nfs/dbraw/zinc/03/61/09/176036109.db2.gz LXRWJLDSVRUKOT-VIFPVBQESA-N 1 2 234.303 0.748 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+](C)CC(=O)NC1CC1 ZINC000184425937 176036110 /nfs/dbraw/zinc/03/61/10/176036110.db2.gz LXRWJLDSVRUKOT-VIFPVBQESA-N 1 2 234.303 0.748 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC1CC1 ZINC000180356139 176037247 /nfs/dbraw/zinc/03/72/47/176037247.db2.gz AVDKDNCTNQAUHB-VIFPVBQESA-N 1 2 236.319 0.692 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC1CC1 ZINC000180356139 176037248 /nfs/dbraw/zinc/03/72/48/176037248.db2.gz AVDKDNCTNQAUHB-VIFPVBQESA-N 1 2 236.319 0.692 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338589170 176037371 /nfs/dbraw/zinc/03/73/71/176037371.db2.gz QHODYFOBGRDQBW-GXSJLCMTSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338589170 176037373 /nfs/dbraw/zinc/03/73/73/176037373.db2.gz QHODYFOBGRDQBW-GXSJLCMTSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCc1ccccn1 ZINC000189769112 176040451 /nfs/dbraw/zinc/04/04/51/176040451.db2.gz WBRSHMWKHKSRLP-JTQLQIEISA-N 1 2 246.318 0.841 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCc1ccccn1 ZINC000189769112 176040453 /nfs/dbraw/zinc/04/04/53/176040453.db2.gz WBRSHMWKHKSRLP-JTQLQIEISA-N 1 2 246.318 0.841 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291833796 176040832 /nfs/dbraw/zinc/04/08/32/176040832.db2.gz OHKCZLJXRXDIQW-UWVGGRQHSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291833796 176040834 /nfs/dbraw/zinc/04/08/34/176040834.db2.gz OHKCZLJXRXDIQW-UWVGGRQHSA-N 1 2 247.306 0.415 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCOC(C)(C)C1 ZINC000364308496 176041197 /nfs/dbraw/zinc/04/11/97/176041197.db2.gz OTTASGYTOSPPJY-VIFPVBQESA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCCOC(C)(C)C1 ZINC000364308496 176041198 /nfs/dbraw/zinc/04/11/98/176041198.db2.gz OTTASGYTOSPPJY-VIFPVBQESA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H]1C(=O)NCCN1Cc1cn2ccccc2[nH+]1 ZINC000104690772 176045931 /nfs/dbraw/zinc/04/59/31/176045931.db2.gz NWNMJDDPFCSBHP-SNVBAGLBSA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000123441515 176045956 /nfs/dbraw/zinc/04/59/56/176045956.db2.gz AHUKPWGJDQGTAH-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000123441515 176045957 /nfs/dbraw/zinc/04/59/57/176045957.db2.gz AHUKPWGJDQGTAH-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000285984286 176046288 /nfs/dbraw/zinc/04/62/88/176046288.db2.gz MJPYLQXMWPZDTE-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000285984286 176046291 /nfs/dbraw/zinc/04/62/91/176046291.db2.gz MJPYLQXMWPZDTE-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc[nH]n1 ZINC000367667497 176049375 /nfs/dbraw/zinc/04/93/75/176049375.db2.gz BQNHPVWXXOZXIK-MRVPVSSYSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc[nH]n1 ZINC000367667497 176049377 /nfs/dbraw/zinc/04/93/77/176049377.db2.gz BQNHPVWXXOZXIK-MRVPVSSYSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cncs1 ZINC000367674220 176049757 /nfs/dbraw/zinc/04/97/57/176049757.db2.gz VUDYLUVUABSTDQ-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cncs1 ZINC000367674220 176049759 /nfs/dbraw/zinc/04/97/59/176049759.db2.gz VUDYLUVUABSTDQ-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H](C(=O)N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000336486157 176093854 /nfs/dbraw/zinc/09/38/54/176093854.db2.gz LTDVHEBZHMIJTI-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1F ZINC000228384708 487632544 /nfs/dbraw/zinc/63/25/44/487632544.db2.gz OYDQVBGZEHZQJD-KOLCDFICSA-N 1 2 238.262 0.246 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1F ZINC000228384708 487632548 /nfs/dbraw/zinc/63/25/48/487632548.db2.gz OYDQVBGZEHZQJD-KOLCDFICSA-N 1 2 238.262 0.246 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000407958537 176177467 /nfs/dbraw/zinc/17/74/67/176177467.db2.gz QWFATGXAWOUJCQ-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000407958537 176177468 /nfs/dbraw/zinc/17/74/68/176177468.db2.gz QWFATGXAWOUJCQ-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2CCF)[C@@H]1CO ZINC000332686527 176178716 /nfs/dbraw/zinc/17/87/16/176178716.db2.gz UPEWSWUNCABXLI-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CCF)[C@@H]1CO ZINC000332686527 176178719 /nfs/dbraw/zinc/17/87/19/176178719.db2.gz UPEWSWUNCABXLI-NXEZZACHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1csnn1 ZINC000328676395 176183376 /nfs/dbraw/zinc/18/33/76/176183376.db2.gz RQSYXGIISSLZFM-SVRRBLITSA-N 1 2 226.305 0.993 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)CCn1cc[nH+]c1 ZINC000362234614 176188469 /nfs/dbraw/zinc/18/84/69/176188469.db2.gz FWYFPTAKORHUDR-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378109426 176193896 /nfs/dbraw/zinc/19/38/96/176193896.db2.gz IYDZGWJHADPRFQ-MWLCHTKSSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000336587710 176219809 /nfs/dbraw/zinc/21/98/09/176219809.db2.gz YYFBMMYVMULEBP-NEPJUHHUSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2nncn2C)O1 ZINC000336679807 176223734 /nfs/dbraw/zinc/22/37/34/176223734.db2.gz XDRWZMJFSZKHLP-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2nncn2C)O1 ZINC000336679807 176223735 /nfs/dbraw/zinc/22/37/35/176223735.db2.gz XDRWZMJFSZKHLP-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000329416961 176245856 /nfs/dbraw/zinc/24/58/56/176245856.db2.gz FVWLQEWVPXAWTB-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000329416961 176245858 /nfs/dbraw/zinc/24/58/58/176245858.db2.gz FVWLQEWVPXAWTB-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCC1=O ZINC000329374789 176246193 /nfs/dbraw/zinc/24/61/93/176246193.db2.gz KNGPSSWZAHEGNY-SNVBAGLBSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000329460161 176246354 /nfs/dbraw/zinc/24/63/54/176246354.db2.gz RXPBUMZKZQSNSZ-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCC1=O ZINC000281705337 176246499 /nfs/dbraw/zinc/24/64/99/176246499.db2.gz WDQHRPTZAULLJX-SNVBAGLBSA-N 1 2 235.287 0.711 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007110 176264535 /nfs/dbraw/zinc/26/45/35/176264535.db2.gz VFKGEHUVGQTEAN-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007110 176264537 /nfs/dbraw/zinc/26/45/37/176264537.db2.gz VFKGEHUVGQTEAN-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)CC[N@@H+]1C ZINC000104144548 176266190 /nfs/dbraw/zinc/26/61/90/176266190.db2.gz QEYGBZPWTYFVGO-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)CC[N@H+]1C ZINC000104144548 176266191 /nfs/dbraw/zinc/26/61/91/176266191.db2.gz QEYGBZPWTYFVGO-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254784 176312891 /nfs/dbraw/zinc/31/28/91/176312891.db2.gz NZKNDXWZKNWRLU-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)C1(C)CC1 ZINC000336254784 176312892 /nfs/dbraw/zinc/31/28/92/176312892.db2.gz NZKNDXWZKNWRLU-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC(=O)N1 ZINC000296237329 176317572 /nfs/dbraw/zinc/31/75/72/176317572.db2.gz ORPZAQPQGCOCNH-LQJRIPTKSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC(=O)N1 ZINC000296237329 176317574 /nfs/dbraw/zinc/31/75/74/176317574.db2.gz ORPZAQPQGCOCNH-LQJRIPTKSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000333276610 176329693 /nfs/dbraw/zinc/32/96/93/176329693.db2.gz IRLGJEHMIVHMHB-VXNVDRBHSA-N 1 2 245.286 0.752 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2C2CC2)[nH]1 ZINC000678715220 487633500 /nfs/dbraw/zinc/63/35/00/487633500.db2.gz GSQRNUROBBDQHO-MRVPVSSYSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2C2CC2)[nH]1 ZINC000678715220 487633503 /nfs/dbraw/zinc/63/35/03/487633503.db2.gz GSQRNUROBBDQHO-MRVPVSSYSA-N 1 2 208.265 0.885 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccn1 ZINC000286196003 176373020 /nfs/dbraw/zinc/37/30/20/176373020.db2.gz BJWIPYCZQFGDJM-VXGBXAGGSA-N 1 2 248.330 0.776 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000355034931 176389116 /nfs/dbraw/zinc/38/91/16/176389116.db2.gz LPNAZKKIDTXXAU-KKOKHZNYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000355034931 176389117 /nfs/dbraw/zinc/38/91/17/176389117.db2.gz LPNAZKKIDTXXAU-KKOKHZNYSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338164239 176392410 /nfs/dbraw/zinc/39/24/10/176392410.db2.gz XZEBZHKVZPMDJW-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]Cc1ncn(C)n1 ZINC000336732312 176730944 /nfs/dbraw/zinc/73/09/44/176730944.db2.gz FRTVNVQYRBWHGT-SECBINFHSA-N 1 2 220.280 0.190 20 0 BCADLO CCOc1ccc(C[N@H+]2CCNC(=O)CC2)nc1 ZINC000674864030 487636841 /nfs/dbraw/zinc/63/68/41/487636841.db2.gz WUVYAVJZYWFBDK-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000184698926 177002437 /nfs/dbraw/zinc/00/24/37/177002437.db2.gz DKSAHVRPIHNVPY-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000184698926 177002438 /nfs/dbraw/zinc/00/24/38/177002438.db2.gz DKSAHVRPIHNVPY-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000306263561 177008937 /nfs/dbraw/zinc/00/89/37/177008937.db2.gz YUFNSBGGEPRWEK-JGVFFNPUSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000306263561 177008938 /nfs/dbraw/zinc/00/89/38/177008938.db2.gz YUFNSBGGEPRWEK-JGVFFNPUSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](O)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000306263563 177015626 /nfs/dbraw/zinc/01/56/26/177015626.db2.gz YUFNSBGGEPRWEK-YUMQZZPRSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000306263563 177015628 /nfs/dbraw/zinc/01/56/28/177015628.db2.gz YUFNSBGGEPRWEK-YUMQZZPRSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](Oc1cccnc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000117800380 177025274 /nfs/dbraw/zinc/02/52/74/177025274.db2.gz VOQJPOAEQJYZSF-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO C[C@H](c1ccccc1)[NH+](CC(N)=O)CC(N)=O ZINC000031467868 177038579 /nfs/dbraw/zinc/03/85/79/177038579.db2.gz DRVCHCDQYJTCGF-SECBINFHSA-N 1 2 235.287 0.020 20 0 BCADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000270757681 177046689 /nfs/dbraw/zinc/04/66/89/177046689.db2.gz DSCZXQWTKWTOMN-LLVKDONJSA-N 1 2 249.314 0.279 20 0 BCADLO C[C@H](c1cnccn1)[NH+]1CC(O)(C2CC2)C1 ZINC000365714149 177051026 /nfs/dbraw/zinc/05/10/26/177051026.db2.gz VJMNUMYHQDVDJD-SECBINFHSA-N 1 2 219.288 0.994 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(F)cn1 ZINC000336453564 177058648 /nfs/dbraw/zinc/05/86/48/177058648.db2.gz WQIQIOSKTGDFQG-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000336453564 177058649 /nfs/dbraw/zinc/05/86/49/177058649.db2.gz WQIQIOSKTGDFQG-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1c[nH]ccc1=O ZINC000672745040 487636773 /nfs/dbraw/zinc/63/67/73/487636773.db2.gz IJVIAFMXLQIRCZ-UHFFFAOYSA-N 1 2 232.243 0.290 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cncs1 ZINC000367674221 177063116 /nfs/dbraw/zinc/06/31/16/177063116.db2.gz VUDYLUVUABSTDQ-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cncs1 ZINC000367674221 177063117 /nfs/dbraw/zinc/06/31/17/177063117.db2.gz VUDYLUVUABSTDQ-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccno1 ZINC000375848799 177063137 /nfs/dbraw/zinc/06/31/37/177063137.db2.gz OTNJORAEQTYHKJ-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccno1 ZINC000375848799 177063138 /nfs/dbraw/zinc/06/31/38/177063138.db2.gz OTNJORAEQTYHKJ-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO CCOc1ccc(C[N@@H+]2CCNC(=O)CC2)nc1 ZINC000674864030 487636839 /nfs/dbraw/zinc/63/68/39/487636839.db2.gz WUVYAVJZYWFBDK-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000276512776 177151585 /nfs/dbraw/zinc/15/15/85/177151585.db2.gz KVJMEAROAPMKGQ-AXFHLTTASA-N 1 2 237.303 0.673 20 0 BCADLO C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)CC1(F)F ZINC000336303852 177158634 /nfs/dbraw/zinc/15/86/34/177158634.db2.gz JTPHLWUNEGSNNP-ZETCQYMHSA-N 1 2 249.261 0.549 20 0 BCADLO C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)CC1(F)F ZINC000336303852 177158635 /nfs/dbraw/zinc/15/86/35/177158635.db2.gz JTPHLWUNEGSNNP-ZETCQYMHSA-N 1 2 249.261 0.549 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000361323889 177167591 /nfs/dbraw/zinc/16/75/91/177167591.db2.gz FPTNMOVQOVTUGP-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO C[C@H]1CCN(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000361323889 177167593 /nfs/dbraw/zinc/16/75/93/177167593.db2.gz FPTNMOVQOVTUGP-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000194439420 177184086 /nfs/dbraw/zinc/18/40/86/177184086.db2.gz PMUIBJKKNMUXHY-BDAKNGLRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000194439420 177184087 /nfs/dbraw/zinc/18/40/87/177184087.db2.gz PMUIBJKKNMUXHY-BDAKNGLRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCC1=O ZINC000329374788 177215932 /nfs/dbraw/zinc/21/59/32/177215932.db2.gz KNGPSSWZAHEGNY-JTQLQIEISA-N 1 2 249.314 0.790 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299629689 177215944 /nfs/dbraw/zinc/21/59/44/177215944.db2.gz KDRHYZYZJDBOQT-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000351857818 177215967 /nfs/dbraw/zinc/21/59/67/177215967.db2.gz UYAKURNWCGICIY-UWVGGRQHSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000174347452 177219391 /nfs/dbraw/zinc/21/93/91/177219391.db2.gz FCKLSUNNBHSSBZ-AOOOYVTPSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@H](C)[N@H+]1C ZINC000293961031 177231268 /nfs/dbraw/zinc/23/12/68/177231268.db2.gz LBNMVCJZELNKDF-DTORHVGOSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@H](C)[N@@H+]1C ZINC000293961031 177231271 /nfs/dbraw/zinc/23/12/71/177231271.db2.gz LBNMVCJZELNKDF-DTORHVGOSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C[N@@H+]1C ZINC000341130277 177239451 /nfs/dbraw/zinc/23/94/51/177239451.db2.gz APJWFUFKNLRRHV-SFYZADRCSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C[N@H+]1C ZINC000341130277 177239453 /nfs/dbraw/zinc/23/94/53/177239453.db2.gz APJWFUFKNLRRHV-SFYZADRCSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000369406751 177244341 /nfs/dbraw/zinc/24/43/41/177244341.db2.gz CQXUGQMTEJAYGX-CABZTGNLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000369406751 177244343 /nfs/dbraw/zinc/24/43/43/177244343.db2.gz CQXUGQMTEJAYGX-CABZTGNLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)N1C ZINC000336632281 177244359 /nfs/dbraw/zinc/24/43/59/177244359.db2.gz LPGMTNWQKXEZMT-PHIMTYICSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)N1C ZINC000336632281 177244361 /nfs/dbraw/zinc/24/43/61/177244361.db2.gz LPGMTNWQKXEZMT-PHIMTYICSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000103139879 177250180 /nfs/dbraw/zinc/25/01/80/177250180.db2.gz DNMPEWPMWSMHPO-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000103139879 177250182 /nfs/dbraw/zinc/25/01/82/177250182.db2.gz DNMPEWPMWSMHPO-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1C[N@H+](CCN2CC(O)(C3CC3)C2)CCO1 ZINC000370017888 177250962 /nfs/dbraw/zinc/25/09/62/177250962.db2.gz GSMKZWUPFIKZAY-NSHDSACASA-N 1 2 240.347 0.164 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CC(O)(C3CC3)C2)CCO1 ZINC000370017888 177250963 /nfs/dbraw/zinc/25/09/63/177250963.db2.gz GSMKZWUPFIKZAY-NSHDSACASA-N 1 2 240.347 0.164 20 0 BCADLO C[C@H]1C[N@H+](CCO[C@@H]2CCCCO2)CC(=O)N1 ZINC000333696437 177252678 /nfs/dbraw/zinc/25/26/78/177252678.db2.gz NFIMGSKBEVYVCO-CMPLNLGQSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CC(=O)N1 ZINC000333696437 177252680 /nfs/dbraw/zinc/25/26/80/177252680.db2.gz NFIMGSKBEVYVCO-CMPLNLGQSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219867 177255892 /nfs/dbraw/zinc/25/58/92/177255892.db2.gz OWSIINRWLYIXNI-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582521 177259854 /nfs/dbraw/zinc/25/98/54/177259854.db2.gz FXJSRXRNPWULRH-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582521 177259856 /nfs/dbraw/zinc/25/98/56/177259856.db2.gz FXJSRXRNPWULRH-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC(=O)N1 ZINC000295014833 177264272 /nfs/dbraw/zinc/26/42/72/177264272.db2.gz MNWMTXJKESOLBM-JTQLQIEISA-N 1 2 244.298 0.655 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)C[C@H](C2CC2)O1 ZINC000373477378 177268898 /nfs/dbraw/zinc/26/88/98/177268898.db2.gz ZUVVONGBRAUHTH-JOYOIKCWSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C2CC2)O1 ZINC000373477378 177268900 /nfs/dbraw/zinc/26/89/00/177268900.db2.gz ZUVVONGBRAUHTH-JOYOIKCWSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@H]1CN(Cc2cn3ccccc3[nH+]2)CC(=O)N1 ZINC000294954307 177270075 /nfs/dbraw/zinc/27/00/75/177270075.db2.gz HUTWIRHYQXLNJC-JTQLQIEISA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](C)[N@H+]1C ZINC000339615598 177270457 /nfs/dbraw/zinc/27/04/57/177270457.db2.gz LGHPTNBDAQBKHX-OCAPTIKFSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](C)[N@@H+]1C ZINC000339615598 177270459 /nfs/dbraw/zinc/27/04/59/177270459.db2.gz LGHPTNBDAQBKHX-OCAPTIKFSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000351822365 177272386 /nfs/dbraw/zinc/27/23/86/177272386.db2.gz WNYYGXOJHWIBNP-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000351822365 177272389 /nfs/dbraw/zinc/27/23/89/177272389.db2.gz WNYYGXOJHWIBNP-IONNQARKSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[S@]1=O ZINC000353860448 177272480 /nfs/dbraw/zinc/27/24/80/177272480.db2.gz DWZQKRPAGFOZQR-RMLUDKJBSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000334265366 177275172 /nfs/dbraw/zinc/27/51/72/177275172.db2.gz YCBZEAFEKLPYCT-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000334265366 177275175 /nfs/dbraw/zinc/27/51/75/177275175.db2.gz YCBZEAFEKLPYCT-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1COCCN1C(=O)CCc1c[nH+]cn1C ZINC000339164377 177289114 /nfs/dbraw/zinc/28/91/14/177289114.db2.gz RDFWWDAUIFGZIQ-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000337180574 177290735 /nfs/dbraw/zinc/29/07/35/177290735.db2.gz MGDUPJTVTMSUTL-RWMBFGLXSA-N 1 2 240.347 0.570 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000337180574 177290736 /nfs/dbraw/zinc/29/07/36/177290736.db2.gz MGDUPJTVTMSUTL-RWMBFGLXSA-N 1 2 240.347 0.570 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1ncccn1 ZINC000336776410 177291838 /nfs/dbraw/zinc/29/18/38/177291838.db2.gz FUOSSYSDVSSUGV-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1ncccn1 ZINC000336776410 177291839 /nfs/dbraw/zinc/29/18/39/177291839.db2.gz FUOSSYSDVSSUGV-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000354284700 177292976 /nfs/dbraw/zinc/29/29/76/177292976.db2.gz SWOISAPKJVXMIG-WOPDTQHZSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000354284700 177292977 /nfs/dbraw/zinc/29/29/77/177292977.db2.gz SWOISAPKJVXMIG-WOPDTQHZSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000271083931 177293518 /nfs/dbraw/zinc/29/35/18/177293518.db2.gz AWXGWQUKIZDJSU-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000271083931 177293519 /nfs/dbraw/zinc/29/35/19/177293519.db2.gz AWXGWQUKIZDJSU-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@H]1COCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282743486 177294680 /nfs/dbraw/zinc/29/46/80/177294680.db2.gz JLSZNQAUHSXLQU-JJHDRXPHSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CO1 ZINC000331257938 177308255 /nfs/dbraw/zinc/30/82/55/177308255.db2.gz DUMDBPIQLCPAOK-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000331267770 177308455 /nfs/dbraw/zinc/30/84/55/177308455.db2.gz RSMKDSWQKSETHW-OUAUKWLOSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CO1 ZINC000162245744 177308739 /nfs/dbraw/zinc/30/87/39/177308739.db2.gz WSQORNGNDXUKLF-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N(C)C1CC1 ZINC000367562896 177328700 /nfs/dbraw/zinc/32/87/00/177328700.db2.gz LRXUWQWCUUHYDG-WCQYABFASA-N 1 2 239.363 0.791 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CCO1 ZINC000271362365 177329080 /nfs/dbraw/zinc/32/90/80/177329080.db2.gz FBFDFHHJYZHGBG-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N(C)C ZINC000336336305 177366328 /nfs/dbraw/zinc/36/63/28/177366328.db2.gz ROYROPURFHPISS-QWRGUYRKSA-N 1 2 241.335 0.463 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CCO1 ZINC000271362370 177367397 /nfs/dbraw/zinc/36/73/97/177367397.db2.gz FBFDFHHJYZHGBG-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332645057 177373972 /nfs/dbraw/zinc/37/39/72/177373972.db2.gz JVQLMQQTKBDKSF-WDSKDSINSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000332645057 177373973 /nfs/dbraw/zinc/37/39/73/177373973.db2.gz JVQLMQQTKBDKSF-WDSKDSINSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@H]1C[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285778787 177379373 /nfs/dbraw/zinc/37/93/73/177379373.db2.gz CKCVZMXWJKSWMK-NRPADANISA-N 1 2 248.286 0.529 20 0 BCADLO C[C@H]1C[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285778787 177379375 /nfs/dbraw/zinc/37/93/75/177379375.db2.gz CKCVZMXWJKSWMK-NRPADANISA-N 1 2 248.286 0.529 20 0 BCADLO C[C@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329636340 177392941 /nfs/dbraw/zinc/39/29/41/177392941.db2.gz YEDZVJSFCXEKPO-RQJHMYQMSA-N 1 2 234.259 0.412 20 0 BCADLO C[C@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329636340 177392943 /nfs/dbraw/zinc/39/29/43/177392943.db2.gz YEDZVJSFCXEKPO-RQJHMYQMSA-N 1 2 234.259 0.412 20 0 BCADLO Cc1n[nH]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000128722585 177545378 /nfs/dbraw/zinc/54/53/78/177545378.db2.gz TTZNWUHIORVDLC-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO C[C@@H](NC(=O)c1nccnc1N)c1[nH]cc[nH+]1 ZINC000557047326 322933641 /nfs/dbraw/zinc/93/36/41/322933641.db2.gz JQMZKISSHFURDF-ZCFIWIBFSA-N 1 2 232.247 0.273 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2n[nH]cc2C1 ZINC000492768692 226049148 /nfs/dbraw/zinc/04/91/48/226049148.db2.gz PDRWWQDLYGNWOB-OWOJBTEDSA-N 1 2 243.270 0.731 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCO ZINC000492773853 226050885 /nfs/dbraw/zinc/05/08/85/226050885.db2.gz VYUGTYOEKCXXQA-ONEGZZNKSA-N 1 2 209.249 0.312 20 0 BCADLO COCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813833 226059241 /nfs/dbraw/zinc/05/92/41/226059241.db2.gz QNVAIVHJBSCCHV-ZBJFTSOASA-N 1 2 223.276 0.964 20 0 BCADLO COC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857681 226068025 /nfs/dbraw/zinc/06/80/25/226068025.db2.gz DRTJNCMQQIYYDA-SNAWJCMRSA-N 1 2 223.276 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCOCC1 ZINC000492891990 226076663 /nfs/dbraw/zinc/07/66/63/226076663.db2.gz DNVPEMHNVYANBL-OWOJBTEDSA-N 1 2 237.259 0.650 20 0 BCADLO C[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492896325 226078291 /nfs/dbraw/zinc/07/82/91/226078291.db2.gz IXRRHQKULBXZLY-DLGQBQFBSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C=Cc1c[nH]cn1 ZINC000492902299 226080206 /nfs/dbraw/zinc/08/02/06/226080206.db2.gz QQSUUOCGSQXYGN-MXQLGCADSA-N 1 2 245.286 0.824 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000492904263 226081933 /nfs/dbraw/zinc/08/19/33/226081933.db2.gz WGJVEQIDIVCCMG-MXQLGCADSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@]1(O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493302229 226180515 /nfs/dbraw/zinc/18/05/15/226180515.db2.gz KZKDZGJZTSGGSG-VUDBWIFFSA-N 1 2 221.260 0.406 20 0 BCADLO COCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493303628 226181655 /nfs/dbraw/zinc/18/16/55/226181655.db2.gz PMTNMBAMOWRVQG-NWALNABHSA-N 1 2 223.276 0.964 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCC1 ZINC000493019566 226106177 /nfs/dbraw/zinc/10/61/77/226106177.db2.gz KEXKDSPKTFCRRP-NSCUHMNNSA-N 1 2 221.260 0.454 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCCNC1=O ZINC000493068288 226117118 /nfs/dbraw/zinc/11/71/18/226117118.db2.gz CWVMDZYRQXWRDV-XNPJLODASA-N 1 2 248.286 0.208 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C(N)=O ZINC000493077998 226119866 /nfs/dbraw/zinc/11/98/66/226119866.db2.gz ZPJKYFAJZNDLSV-SNAWJCMRSA-N 1 2 236.275 0.145 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](O)C2(CC2)C1 ZINC000493086230 226122299 /nfs/dbraw/zinc/12/22/99/226122299.db2.gz QHVYLSLCNYJKJR-JWXWKVPASA-N 1 2 233.271 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](O)C2(CC2)C1 ZINC000493086231 226122554 /nfs/dbraw/zinc/12/25/54/226122554.db2.gz QHVYLSLCNYJKJR-SYBPUXJVSA-N 1 2 233.271 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)CC1 ZINC000493094609 226124290 /nfs/dbraw/zinc/12/42/90/226124290.db2.gz RMAHBCOSGVZQHQ-BYCRGOAPSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493113015 226130153 /nfs/dbraw/zinc/13/01/53/226130153.db2.gz FNXULSZFTYOYEA-KHVQUVQLSA-N 1 2 221.260 0.717 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC[C@@H]1CCOC1 ZINC000493123709 226133503 /nfs/dbraw/zinc/13/35/03/226133503.db2.gz VRDFFULQAVOILV-TXXBHVLJSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCCO ZINC000493143321 226138613 /nfs/dbraw/zinc/13/86/13/226138613.db2.gz AYBZFCZSOQTAFJ-ONEGZZNKSA-N 1 2 209.249 0.312 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCN1CCCC1=O ZINC000493239719 226163910 /nfs/dbraw/zinc/16/39/10/226163910.db2.gz ZRUUPYWXAULGLA-ONEGZZNKSA-N 1 2 248.286 0.162 20 0 BCADLO COCCCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493268156 226171796 /nfs/dbraw/zinc/17/17/96/226171796.db2.gz ZMCMSIZVNUZXMI-ONEGZZNKSA-N 1 2 225.248 0.507 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493285283 226175016 /nfs/dbraw/zinc/17/50/16/226175016.db2.gz CJHLAMDRVKHMBO-UVSMVFJQSA-N 1 2 223.276 0.963 20 0 BCADLO C[C@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493417355 226210423 /nfs/dbraw/zinc/21/04/23/226210423.db2.gz GMOBMIVSPJDKLG-QAVQXKDTSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]cn1)N1CCn2c[nH+]cc2C1 ZINC000493433172 226215956 /nfs/dbraw/zinc/21/59/56/226215956.db2.gz NQXFGROZCLVWRB-OWOJBTEDSA-N 1 2 243.270 0.662 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC1(CO)CC1 ZINC000493484446 226229148 /nfs/dbraw/zinc/22/91/48/226229148.db2.gz PFMDEERZLRASLQ-OWOJBTEDSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C=Cc1c[nH]cn1 ZINC000493500349 226234096 /nfs/dbraw/zinc/23/40/96/226234096.db2.gz SKPPOHYQFFYOFV-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C[C@@H]2CN(C)C(=O)O2)CCN1C ZINC000495656861 226284850 /nfs/dbraw/zinc/28/48/50/226284850.db2.gz ZEANZNMTNWYXEZ-MXWKQRLJSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCN1C ZINC000495656861 226284851 /nfs/dbraw/zinc/28/48/51/226284851.db2.gz ZEANZNMTNWYXEZ-MXWKQRLJSA-N 1 2 241.335 0.461 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccnn1C ZINC000493651310 226247674 /nfs/dbraw/zinc/24/76/74/226247674.db2.gz KOYBCGCSLNJNQN-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO COC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493653989 226247870 /nfs/dbraw/zinc/24/78/70/226247870.db2.gz ZEWTXCUFQIICBX-MXQLGCADSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(O)CCC1 ZINC000493674377 226248768 /nfs/dbraw/zinc/24/87/68/226248768.db2.gz AAPFQRXIZSOYOR-NSCUHMNNSA-N 1 2 221.260 0.454 20 0 BCADLO C[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(=O)N(C)C ZINC000493706392 226250280 /nfs/dbraw/zinc/25/02/80/226250280.db2.gz LZDXEKJNGQGCQN-LGYSABEFSA-N 1 2 236.275 0.016 20 0 BCADLO C[C@H]1C(=O)NCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493707509 226250368 /nfs/dbraw/zinc/25/03/68/226250368.db2.gz OQSXPMHTPPKYHI-TYRPZCRBSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493780510 226253812 /nfs/dbraw/zinc/25/38/12/226253812.db2.gz CBMXHPGHMWUGDV-QTIBKXMGSA-N 1 2 221.260 0.405 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C=C[C@H](CO)C1 ZINC000493778732 226253822 /nfs/dbraw/zinc/25/38/22/226253822.db2.gz CBMPUWDISVOLIX-FCVPOFOPSA-N 1 2 233.271 0.476 20 0 BCADLO C[C@H](CO)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493796410 226254493 /nfs/dbraw/zinc/25/44/93/226254493.db2.gz VHGGBTHZLASHDP-MPJRPATESA-N 1 2 209.249 0.262 20 0 BCADLO C[C@H]1CC[N@H+](CCOCCO)CC1(F)F ZINC000494209958 226262378 /nfs/dbraw/zinc/26/23/78/226262378.db2.gz VYTVGCHUWYKIBH-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO C[C@H]1CC[N@@H+](CCOCCO)CC1(F)F ZINC000494209958 226262379 /nfs/dbraw/zinc/26/23/79/226262379.db2.gz VYTVGCHUWYKIBH-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496704614 226312177 /nfs/dbraw/zinc/31/21/77/226312177.db2.gz ZDELJAJCHXSEAN-VHSXEESVSA-N 1 2 227.308 0.073 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496704614 226312178 /nfs/dbraw/zinc/31/21/78/226312178.db2.gz ZDELJAJCHXSEAN-VHSXEESVSA-N 1 2 227.308 0.073 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000497035207 226320794 /nfs/dbraw/zinc/32/07/94/226320794.db2.gz LTGXOOFRABECIN-QMMMGPOBSA-N 1 2 204.245 0.728 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000497035207 226320795 /nfs/dbraw/zinc/32/07/95/226320795.db2.gz LTGXOOFRABECIN-QMMMGPOBSA-N 1 2 204.245 0.728 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)[C@@H](C)CN1C ZINC000495732717 226287575 /nfs/dbraw/zinc/28/75/75/226287575.db2.gz XSSYPLBLWLUXDZ-OUAUKWLOSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)[C@@H](C)CN1C ZINC000495732717 226287576 /nfs/dbraw/zinc/28/75/76/226287576.db2.gz XSSYPLBLWLUXDZ-OUAUKWLOSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)OCCCF)CCO1 ZINC000496107180 226296557 /nfs/dbraw/zinc/29/65/57/226296557.db2.gz YSNNQFMMYUCYEV-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)OCCCF)CCO1 ZINC000496107180 226296558 /nfs/dbraw/zinc/29/65/58/226296558.db2.gz YSNNQFMMYUCYEV-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@]2(CCOC2)C1 ZINC000674952782 487659886 /nfs/dbraw/zinc/65/98/86/487659886.db2.gz XDVKQQDHVYQSKT-LBPRGKRZSA-N 1 2 235.287 0.522 20 0 BCADLO Cc1cn2c([nH+]1)CN(C[C@H](O)C(F)(F)F)CC2 ZINC000680865352 487660630 /nfs/dbraw/zinc/66/06/30/487660630.db2.gz PAHNOCDMPVZERL-QMMMGPOBSA-N 1 2 249.236 0.930 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)C[C@H](O)C(F)(F)F ZINC000680866181 487661113 /nfs/dbraw/zinc/66/11/13/487661113.db2.gz OJIKNLHQNNLMTP-ZETCQYMHSA-N 1 2 223.198 0.765 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)C[C@H](O)C(F)(F)F ZINC000680866181 487661117 /nfs/dbraw/zinc/66/11/17/487661117.db2.gz OJIKNLHQNNLMTP-ZETCQYMHSA-N 1 2 223.198 0.765 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccon1 ZINC000308915147 229259677 /nfs/dbraw/zinc/25/96/77/229259677.db2.gz BBCPXCAYVNICRH-RNFRBKRXSA-N 1 2 211.221 0.434 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)[C@H](C)O1 ZINC000632169629 487673526 /nfs/dbraw/zinc/67/35/26/487673526.db2.gz ABEDBYUBNKZLDK-VGMNWLOBSA-N 1 2 236.271 0.961 20 0 BCADLO COCc1cncc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000680930492 487673590 /nfs/dbraw/zinc/67/35/90/487673590.db2.gz ZDQWDXRYLIXCNJ-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO COCc1cncc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000680930492 487673592 /nfs/dbraw/zinc/67/35/92/487673592.db2.gz ZDQWDXRYLIXCNJ-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccnn1 ZINC000675150099 487674904 /nfs/dbraw/zinc/67/49/04/487674904.db2.gz VRCRVGXKLHNBNF-VIFPVBQESA-N 1 2 246.274 0.883 20 0 BCADLO Cn1cc[nH+]c1CNc1ccc2c(n1)CCC2=O ZINC000581272796 487677936 /nfs/dbraw/zinc/67/79/36/487677936.db2.gz WWEFANARAGXQOI-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000637861442 487680605 /nfs/dbraw/zinc/68/06/05/487680605.db2.gz TVMVMHFWVLQCFA-SECBINFHSA-N 1 2 225.317 0.983 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccns1 ZINC000637861442 487680609 /nfs/dbraw/zinc/68/06/09/487680609.db2.gz TVMVMHFWVLQCFA-SECBINFHSA-N 1 2 225.317 0.983 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000278394858 487683458 /nfs/dbraw/zinc/68/34/58/487683458.db2.gz DBWOYDPATSCULZ-IONNQARKSA-N 1 2 223.276 0.873 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C1CC1 ZINC000675280938 487685086 /nfs/dbraw/zinc/68/50/86/487685086.db2.gz OTJBWHNIASMDEB-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H]1C[N@H+](CCCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000675285966 487687995 /nfs/dbraw/zinc/68/79/95/487687995.db2.gz FIPBLVSKAXCEAW-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1C[N@@H+](CCCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000675285966 487688000 /nfs/dbraw/zinc/68/80/00/487688000.db2.gz FIPBLVSKAXCEAW-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO Cc1nc(NC[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000665740807 487689823 /nfs/dbraw/zinc/68/98/23/487689823.db2.gz LOTIYOMHDLCKRJ-VIFPVBQESA-N 1 2 220.276 0.723 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCOC1 ZINC000668400589 487693292 /nfs/dbraw/zinc/69/32/92/487693292.db2.gz BQGZQNQFXBFSMH-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)[C@@H]1CCCOC1 ZINC000671704319 487697586 /nfs/dbraw/zinc/69/75/86/487697586.db2.gz KGXABKOMTJFWHY-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)[C@@H]1CCCOC1 ZINC000671704319 487697592 /nfs/dbraw/zinc/69/75/92/487697592.db2.gz KGXABKOMTJFWHY-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCO ZINC000671711595 487702034 /nfs/dbraw/zinc/70/20/34/487702034.db2.gz FRZTVRQJBCHJSR-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCO ZINC000671711595 487702036 /nfs/dbraw/zinc/70/20/36/487702036.db2.gz FRZTVRQJBCHJSR-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2cn(C)cn2)CC1 ZINC000683896997 487709759 /nfs/dbraw/zinc/70/97/59/487709759.db2.gz HLYFHPQWPVDAPH-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2cn(C)cn2)CC1 ZINC000683896997 487709765 /nfs/dbraw/zinc/70/97/65/487709765.db2.gz HLYFHPQWPVDAPH-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000683897679 487710171 /nfs/dbraw/zinc/71/01/71/487710171.db2.gz FKBMWCFUJPACOG-NWDGAFQWSA-N 1 2 248.330 0.663 20 0 BCADLO COc1ncncc1CN(C)Cc1c[nH+]c[nH]1 ZINC000668422188 487727254 /nfs/dbraw/zinc/72/72/54/487727254.db2.gz SLNQZYFDPHEFPW-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1ncncc1CN(C)Cc1c[nH]c[nH+]1 ZINC000668422188 487727258 /nfs/dbraw/zinc/72/72/58/487727258.db2.gz SLNQZYFDPHEFPW-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CO[C@@H](C)CCNc1[nH+]cnc2c1OCCN2 ZINC000665697687 487732773 /nfs/dbraw/zinc/73/27/73/487732773.db2.gz USUKTXVVPCHNFC-QMMMGPOBSA-N 1 2 238.291 0.230 20 0 BCADLO CO[C@@H](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697687 487732778 /nfs/dbraw/zinc/73/27/78/487732778.db2.gz USUKTXVVPCHNFC-QMMMGPOBSA-N 1 2 238.291 0.230 20 0 BCADLO Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000651412347 487733493 /nfs/dbraw/zinc/73/34/93/487733493.db2.gz RQBMTKPWTPIVQF-OCAPTIKFSA-N 1 2 206.249 0.461 20 0 BCADLO CC(C)(CO)CNc1[nH+]cnc2c1OCCN2 ZINC000665707955 487736002 /nfs/dbraw/zinc/73/60/02/487736002.db2.gz JCVUOVBCKBMXRW-UHFFFAOYSA-N 1 2 238.291 0.711 20 0 BCADLO CC(C)(CO)CNc1nc[nH+]c2c1OCCN2 ZINC000665707955 487736008 /nfs/dbraw/zinc/73/60/08/487736008.db2.gz JCVUOVBCKBMXRW-UHFFFAOYSA-N 1 2 238.291 0.711 20 0 BCADLO c1n[nH]cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000681134516 487735945 /nfs/dbraw/zinc/73/59/45/487735945.db2.gz GXXKZLSVFAZURU-UHFFFAOYSA-N 1 2 233.279 0.096 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@H]1CCCNC1=O ZINC000088591300 487737018 /nfs/dbraw/zinc/73/70/18/487737018.db2.gz BVRLWRVBWVCIOV-VIFPVBQESA-N 1 2 237.307 0.227 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1ncnn1C(C)C ZINC000088589417 487738587 /nfs/dbraw/zinc/73/85/87/487738587.db2.gz BMDYMWGTLOJUTF-UHFFFAOYSA-N 1 2 239.323 0.475 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000665744830 487740775 /nfs/dbraw/zinc/74/07/75/487740775.db2.gz OVZFHCMRFMYNTG-GHMZBOCLSA-N 1 2 239.319 0.973 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000676743951 487741644 /nfs/dbraw/zinc/74/16/44/487741644.db2.gz VENSDOTYVHZMOU-WDEREUQCSA-N 1 2 239.319 0.939 20 0 BCADLO CC[C@H]1C[N@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912829 487743052 /nfs/dbraw/zinc/74/30/52/487743052.db2.gz NJZDNIHNSGLMEK-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912829 487743056 /nfs/dbraw/zinc/74/30/56/487743056.db2.gz NJZDNIHNSGLMEK-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1COCCO1 ZINC000661609630 487747401 /nfs/dbraw/zinc/74/74/01/487747401.db2.gz BWJVSFWGVGACEZ-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1COCCO1 ZINC000661609630 487747405 /nfs/dbraw/zinc/74/74/05/487747405.db2.gz BWJVSFWGVGACEZ-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H]2COCCO2)nn1C ZINC000661609579 487747545 /nfs/dbraw/zinc/74/75/45/487747545.db2.gz NSHKNJZFAVCFMJ-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H]2COCCO2)nn1C ZINC000661609579 487747547 /nfs/dbraw/zinc/74/75/47/487747547.db2.gz NSHKNJZFAVCFMJ-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO CCc1nc(CN2CC[N@@H+](CC)[C@@H](C)C2)n[nH]1 ZINC000681210969 487749284 /nfs/dbraw/zinc/74/92/84/487749284.db2.gz PSERLYVUYRWRGF-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](CC)[C@@H](C)C2)n[nH]1 ZINC000681210969 487749287 /nfs/dbraw/zinc/74/92/87/487749287.db2.gz PSERLYVUYRWRGF-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO CCn1ncc(C[N@H+](C)C(C)(C)CO)n1 ZINC000838806781 585069521 /nfs/dbraw/zinc/06/95/21/585069521.db2.gz VGKFUUDCUQOEPF-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000838806781 585069522 /nfs/dbraw/zinc/06/95/22/585069522.db2.gz VGKFUUDCUQOEPF-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@H](CCO)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621482 487753950 /nfs/dbraw/zinc/75/39/50/487753950.db2.gz ANEGRTZVRYFDGC-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621131 487754186 /nfs/dbraw/zinc/75/41/86/487754186.db2.gz PRNROZZINZFGBY-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621387 487754338 /nfs/dbraw/zinc/75/43/38/487754338.db2.gz OEVPZSOVTKNEEK-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000684095861 487764191 /nfs/dbraw/zinc/76/41/91/487764191.db2.gz MEZBRUOFHQHLHC-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000684095861 487764196 /nfs/dbraw/zinc/76/41/96/487764196.db2.gz MEZBRUOFHQHLHC-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CN(C)c1ccc(CNC(=O)[C@H](O)C2CC2)c[nH+]1 ZINC000666249094 487769515 /nfs/dbraw/zinc/76/95/15/487769515.db2.gz SVVVZNSBRBFFRI-GFCCVEGCSA-N 1 2 249.314 0.535 20 0 BCADLO CO[C@H](C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000666257017 487771349 /nfs/dbraw/zinc/77/13/49/487771349.db2.gz HHSRDPQDUKDDCH-SECBINFHSA-N 1 2 238.291 0.443 20 0 BCADLO Cn1cnn(C[N@H+](C)CC(C)(C)C)c1=O ZINC000758327660 585353864 /nfs/dbraw/zinc/35/38/64/585353864.db2.gz RPLBEXJKOSXPOB-UHFFFAOYSA-N 1 2 212.297 0.517 20 0 BCADLO Cn1cnn(C[N@@H+](C)CC(C)(C)C)c1=O ZINC000758327660 585353865 /nfs/dbraw/zinc/35/38/65/585353865.db2.gz RPLBEXJKOSXPOB-UHFFFAOYSA-N 1 2 212.297 0.517 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCF ZINC000759326775 585367338 /nfs/dbraw/zinc/36/73/38/585367338.db2.gz HMYZZXNVKPGSPM-SECBINFHSA-N 1 2 200.257 0.699 20 0 BCADLO CCC[C@H](O)CC(=O)NCCc1c[nH+]cn1C ZINC000681343756 487781317 /nfs/dbraw/zinc/78/13/17/487781317.db2.gz WYMRIARLKDBUMT-NSHDSACASA-N 1 2 239.319 0.630 20 0 BCADLO CCCOCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356356 487783082 /nfs/dbraw/zinc/78/30/82/487783082.db2.gz 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Cc1nnc(C[N@@H+]2CCCOC[C@@H]2C)n1C ZINC000676713985 487902412 /nfs/dbraw/zinc/90/24/12/487902412.db2.gz UXANUWHNSUVFFI-VIFPVBQESA-N 1 2 224.308 0.734 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc(C)no1 ZINC000056508736 487907791 /nfs/dbraw/zinc/90/77/91/487907791.db2.gz LDTODWAMWVBBCQ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc(C)no1 ZINC000056508736 487907795 /nfs/dbraw/zinc/90/77/95/487907795.db2.gz LDTODWAMWVBBCQ-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000669910336 487919508 /nfs/dbraw/zinc/91/95/08/487919508.db2.gz YFMWAOUNLUSGRS-JTQLQIEISA-N 1 2 219.288 0.924 20 0 BCADLO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)nn1 ZINC000669931959 487934086 /nfs/dbraw/zinc/93/40/86/487934086.db2.gz LCXAEBUBGQGBDQ-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)nn1 ZINC000669931959 487934089 /nfs/dbraw/zinc/93/40/89/487934089.db2.gz LCXAEBUBGQGBDQ-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCNC1=O ZINC000667061264 487935587 /nfs/dbraw/zinc/93/55/87/487935587.db2.gz KXRFVYAIUQPAJC-VIFPVBQESA-N 1 2 248.286 0.708 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943701 487950862 /nfs/dbraw/zinc/95/08/62/487950862.db2.gz XTRMXXUQUYYMAX-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943701 487950867 /nfs/dbraw/zinc/95/08/67/487950867.db2.gz XTRMXXUQUYYMAX-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO CS[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000381538281 487951998 /nfs/dbraw/zinc/95/19/98/487951998.db2.gz HNHIMSFKWQINCR-ZCFIWIBFSA-N 1 2 240.332 0.735 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994765 487952345 /nfs/dbraw/zinc/95/23/45/487952345.db2.gz KLGAAUBZBYTVEJ-DTWKUNHWSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@H](CO)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994765 487952348 /nfs/dbraw/zinc/95/23/48/487952348.db2.gz KLGAAUBZBYTVEJ-DTWKUNHWSA-N 1 2 240.307 0.318 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1cncc(O)c1 ZINC000569602146 322972314 /nfs/dbraw/zinc/97/23/14/322972314.db2.gz GJFHNVHFKMHYCY-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000561347890 323000171 /nfs/dbraw/zinc/00/01/71/323000171.db2.gz KOMWRKJWBPZQOH-IUCAKERBSA-N 1 2 222.292 0.333 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000561347890 323000172 /nfs/dbraw/zinc/00/01/72/323000172.db2.gz KOMWRKJWBPZQOH-IUCAKERBSA-N 1 2 222.292 0.333 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1Cc1ncccc1O ZINC000561950877 323009130 /nfs/dbraw/zinc/00/91/30/323009130.db2.gz YQHCYFRALMXGRV-JTQLQIEISA-N 1 2 221.304 0.923 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCOCC1 ZINC000562276001 323014490 /nfs/dbraw/zinc/01/44/90/323014490.db2.gz MLCOABRVONPIMG-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000562376767 323018511 /nfs/dbraw/zinc/01/85/11/323018511.db2.gz DUFZMSNLPPPJHZ-SCZZXKLOSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000562376767 323018512 /nfs/dbraw/zinc/01/85/12/323018512.db2.gz DUFZMSNLPPPJHZ-SCZZXKLOSA-N 1 2 224.308 0.706 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(CCO)CC1 ZINC000400880089 323022554 /nfs/dbraw/zinc/02/25/54/323022554.db2.gz AAHQWCOOJSSQFI-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)C1 ZINC000134836093 323025825 /nfs/dbraw/zinc/02/58/25/323025825.db2.gz FKCLNTWJRYRYME-ZETCQYMHSA-N 1 2 208.265 0.914 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)C1 ZINC000134836093 323025826 /nfs/dbraw/zinc/02/58/26/323025826.db2.gz FKCLNTWJRYRYME-ZETCQYMHSA-N 1 2 208.265 0.914 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(N)c1 ZINC000083885765 487957272 /nfs/dbraw/zinc/95/72/72/487957272.db2.gz ICZQVCRYFSOGRR-GFCCVEGCSA-N 1 2 249.314 0.329 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000567044600 323032921 /nfs/dbraw/zinc/03/29/21/323032921.db2.gz DDJABUBDADVTBE-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000567044600 323032922 /nfs/dbraw/zinc/03/29/22/323032922.db2.gz DDJABUBDADVTBE-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(N)c1 ZINC000083885765 487957279 /nfs/dbraw/zinc/95/72/79/487957279.db2.gz ICZQVCRYFSOGRR-GFCCVEGCSA-N 1 2 249.314 0.329 20 0 BCADLO c1cn(Cc2nnnn2CC2CCOCC2)c[nH+]1 ZINC000569666960 323036079 /nfs/dbraw/zinc/03/60/79/323036079.db2.gz SYTYPKQIFLFVLN-UHFFFAOYSA-N 1 2 248.290 0.345 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CC1(O)CCC1 ZINC000569707502 323038001 /nfs/dbraw/zinc/03/80/01/323038001.db2.gz DGSXGXAGNGASKI-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CC1(C(N)=O)C[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000569841563 323042087 /nfs/dbraw/zinc/04/20/87/323042087.db2.gz WPQQREGMGAFUKF-JTQLQIEISA-N 1 2 247.298 0.020 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cscn1 ZINC000569842516 323042523 /nfs/dbraw/zinc/04/25/23/323042523.db2.gz RHAYWFXEBVLFPD-RKDXNWHRSA-N 1 2 214.290 0.647 20 0 BCADLO Cc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000570098579 323049830 /nfs/dbraw/zinc/04/98/30/323049830.db2.gz FEZUDFGKFJARNO-ZETCQYMHSA-N 1 2 234.263 0.899 20 0 BCADLO Cc1nnc(NC(=O)C[C@H](C)n2cc[nH+]c2)[nH]1 ZINC000570098579 323049831 /nfs/dbraw/zinc/04/98/31/323049831.db2.gz FEZUDFGKFJARNO-ZETCQYMHSA-N 1 2 234.263 0.899 20 0 BCADLO O[C@H](C[NH2+]Cc1ccn[nH]1)CC(F)(F)F ZINC000570156166 323051251 /nfs/dbraw/zinc/05/12/51/323051251.db2.gz ZLMORWCMQCDYGQ-ZETCQYMHSA-N 1 2 223.198 0.813 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCCC(=O)OC ZINC000570217477 323053361 /nfs/dbraw/zinc/05/33/61/323053361.db2.gz WCPWYNXSVVTIRQ-UHFFFAOYSA-N 1 2 249.274 0.821 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000570771304 323069948 /nfs/dbraw/zinc/06/99/48/323069948.db2.gz OTFIILMPABBNDA-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000570771304 323069949 /nfs/dbraw/zinc/06/99/49/323069949.db2.gz OTFIILMPABBNDA-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1nn(C)cc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570940305 323075936 /nfs/dbraw/zinc/07/59/36/323075936.db2.gz DDHPQJUJVZFLQN-SECBINFHSA-N 1 2 247.302 0.872 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)no1 ZINC000221426136 323081977 /nfs/dbraw/zinc/08/19/77/323081977.db2.gz WMFSZVZKZAODTK-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)no1 ZINC000221426136 323081978 /nfs/dbraw/zinc/08/19/78/323081978.db2.gz WMFSZVZKZAODTK-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO CCCC[C@@H](C(=O)OC)[NH+]1CC(C)(C(N)=O)C1 ZINC000563069256 323084517 /nfs/dbraw/zinc/08/45/17/323084517.db2.gz SQUGTTBGTAPREN-VIFPVBQESA-N 1 2 242.319 0.525 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NO[C@@H]1CCCCO1 ZINC000493233478 323085650 /nfs/dbraw/zinc/08/56/50/323085650.db2.gz CAOWFLCFXZRXIB-SGUJLRQBSA-N 1 2 237.259 0.997 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1CO ZINC000493337317 323085723 /nfs/dbraw/zinc/08/57/23/323085723.db2.gz ODWJZLYCGWOXOL-NBYFHADBSA-N 1 2 235.287 0.510 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC000563083385 323089522 /nfs/dbraw/zinc/08/95/22/323089522.db2.gz JWDZLPILKTVIAG-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC000563083385 323089523 /nfs/dbraw/zinc/08/95/23/323089523.db2.gz JWDZLPILKTVIAG-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CO[C@H](CS(=O)(=O)Nc1c[nH+]c[nH]1)C1CC1 ZINC000563136501 323094733 /nfs/dbraw/zinc/09/47/33/323094733.db2.gz UQHJJYDJLWZEJZ-MRVPVSSYSA-N 1 2 245.304 0.576 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(O)CCCC1 ZINC000531496863 323098796 /nfs/dbraw/zinc/09/87/96/323098796.db2.gz BJODPXXLDIWNTI-UHFFFAOYSA-N 1 2 235.287 0.572 20 0 BCADLO COC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563203548 323101771 /nfs/dbraw/zinc/10/17/71/323101771.db2.gz DTMLYLUWNJOLSI-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@@H](CC(=O)Nc1nc[nH]n1)n1cc[nH+]c1 ZINC000563237514 323105877 /nfs/dbraw/zinc/10/58/77/323105877.db2.gz LANZSCIGELYTBY-ZETCQYMHSA-N 1 2 220.236 0.591 20 0 BCADLO C[C@@H](C(=O)N1C[C@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000563383261 323122192 /nfs/dbraw/zinc/12/21/92/323122192.db2.gz LQTVVSWZYYFXQY-QJPTWQEYSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H](C(=O)N1CC(CF)C1)[NH+]1CCOCC1 ZINC000563406772 323123268 /nfs/dbraw/zinc/12/32/68/323123268.db2.gz LJPXUKGZIJVEKS-VIFPVBQESA-N 1 2 230.283 0.135 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2ncc[nH]2)C1 ZINC000563418551 323123801 /nfs/dbraw/zinc/12/38/01/323123801.db2.gz PFGGTBMUGBPNGD-SSDOTTSWSA-N 1 2 208.265 0.291 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCC1=O ZINC000563468526 323127652 /nfs/dbraw/zinc/12/76/52/323127652.db2.gz UYOKGBXTVFAQRU-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCC1=O ZINC000563468526 323127653 /nfs/dbraw/zinc/12/76/53/323127653.db2.gz UYOKGBXTVFAQRU-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO CCC[C@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000563491311 323127894 /nfs/dbraw/zinc/12/78/94/323127894.db2.gz XHOSKEYHKNQFSW-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO c1nnn2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000563547267 323129823 /nfs/dbraw/zinc/12/98/23/323129823.db2.gz RYMCGQRNZGLQFT-SNVBAGLBSA-N 1 2 208.265 0.273 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC000563547267 323129824 /nfs/dbraw/zinc/12/98/24/323129824.db2.gz RYMCGQRNZGLQFT-SNVBAGLBSA-N 1 2 208.265 0.273 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+](C)CCNC(C)=O ZINC000308165058 323132540 /nfs/dbraw/zinc/13/25/40/323132540.db2.gz QHDGVAZJQQJYMB-NSHDSACASA-N 1 2 244.335 0.786 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)CCNC(C)=O ZINC000308165058 323132541 /nfs/dbraw/zinc/13/25/41/323132541.db2.gz QHDGVAZJQQJYMB-NSHDSACASA-N 1 2 244.335 0.786 20 0 BCADLO C[C@H](C(=O)Nc1nccn1C)[NH+]1CC(C)C1 ZINC000563635510 323133122 /nfs/dbraw/zinc/13/31/22/323133122.db2.gz HTGNAWVPUVXCCB-SECBINFHSA-N 1 2 222.292 0.699 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CCC1 ZINC000571103191 323136002 /nfs/dbraw/zinc/13/60/02/323136002.db2.gz ZTGZPJCLWIYXHC-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CCC1 ZINC000571103191 323136003 /nfs/dbraw/zinc/13/60/03/323136003.db2.gz ZTGZPJCLWIYXHC-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO [NH3+][C@H](C(=O)NCC1CC1)c1cscn1 ZINC000571276729 323139823 /nfs/dbraw/zinc/13/98/23/323139823.db2.gz NAJOCLQOYCIRNS-QMMMGPOBSA-N 1 2 211.290 0.669 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000571296636 323140603 /nfs/dbraw/zinc/14/06/03/323140603.db2.gz VZEOALCYJKPCJJ-BDAKNGLRSA-N 1 2 233.271 0.262 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000571469207 323145786 /nfs/dbraw/zinc/14/57/86/323145786.db2.gz QUZBJJXPJOTXFV-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000571469207 323145787 /nfs/dbraw/zinc/14/57/87/323145787.db2.gz QUZBJJXPJOTXFV-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc[nH+]c1CSc1nncn1C ZINC000048872385 323155578 /nfs/dbraw/zinc/15/55/78/323155578.db2.gz LZNKXOZYDYBDQZ-UHFFFAOYSA-N 1 2 209.278 0.841 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000534680376 323159498 /nfs/dbraw/zinc/15/94/98/323159498.db2.gz XAAGYANIJMDCIG-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1cc(NC(=O)N[C@H](C)CO)c(C)c[nH+]1 ZINC000535060620 323164959 /nfs/dbraw/zinc/16/49/59/323164959.db2.gz FDTABSFHXCQOCO-SECBINFHSA-N 1 2 223.276 0.623 20 0 BCADLO C[C@@](O)(CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000535128512 323166903 /nfs/dbraw/zinc/16/69/03/323166903.db2.gz IPHLFWLVMLMNPR-CYBMUJFWSA-N 1 2 249.314 0.818 20 0 BCADLO NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305149597 323167415 /nfs/dbraw/zinc/16/74/15/323167415.db2.gz OHFYHIWNDSAXNR-MRVPVSSYSA-N 1 2 240.225 0.107 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000305238742 323168768 /nfs/dbraw/zinc/16/87/68/323168768.db2.gz PCUPTLWJXQDZNV-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000305238742 323168769 /nfs/dbraw/zinc/16/87/69/323168769.db2.gz PCUPTLWJXQDZNV-VIFPVBQESA-N 1 2 226.324 0.654 20 0 BCADLO O[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1O ZINC000236555046 323172731 /nfs/dbraw/zinc/17/27/31/323172731.db2.gz DALZQTXEJKBZPO-RYUDHWBXSA-N 1 2 230.267 0.777 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2cn[nH]c2C)CC1=O ZINC000391585946 323177714 /nfs/dbraw/zinc/17/77/14/323177714.db2.gz AWPJYCDAPFZLQW-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO Cn1cncc1C(=O)NCCc1c[nH+]cn1C ZINC000563801938 323178322 /nfs/dbraw/zinc/17/83/22/323178322.db2.gz KECOJZCIYRWISV-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)O ZINC000563822062 323179408 /nfs/dbraw/zinc/17/94/08/323179408.db2.gz FIGSLFXHOMMRPN-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)O ZINC000563822062 323179409 /nfs/dbraw/zinc/17/94/09/323179409.db2.gz FIGSLFXHOMMRPN-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000308935552 323182042 /nfs/dbraw/zinc/18/20/42/323182042.db2.gz KSXLKKQSBKENEC-SNVBAGLBSA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)CSC)C(C)C ZINC000308959434 323182494 /nfs/dbraw/zinc/18/24/94/323182494.db2.gz RNYKLGCLUHLKQJ-DTWKUNHWSA-N 1 2 235.349 0.498 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000526082661 323187907 /nfs/dbraw/zinc/18/79/07/323187907.db2.gz RYUNUVDCTIUZKC-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000526082661 323187908 /nfs/dbraw/zinc/18/79/08/323187908.db2.gz RYUNUVDCTIUZKC-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cn1nncc1C[N@@H+]1CCSC[C@H]1CCO ZINC000535825581 323192696 /nfs/dbraw/zinc/19/26/96/323192696.db2.gz HFPFOECUYKXMLV-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO Cn1nncc1C[N@H+]1CCSC[C@H]1CCO ZINC000535825581 323192697 /nfs/dbraw/zinc/19/26/97/323192697.db2.gz HFPFOECUYKXMLV-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO CCOC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000528718743 323195407 /nfs/dbraw/zinc/19/54/07/323195407.db2.gz HXOUNAAGTKNZFF-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CO1 ZINC000527383530 323203889 /nfs/dbraw/zinc/20/38/89/323203889.db2.gz VMYQCRWFEHANLR-NXEZZACHSA-N 1 2 237.303 0.504 20 0 BCADLO O=C([C@@H]1CCC[C@@H](O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000526131731 323239799 /nfs/dbraw/zinc/23/97/99/323239799.db2.gz XEATUZWEXMPNNT-ZYHUDNBSSA-N 1 2 249.314 0.818 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1nncs1 ZINC000043130864 323258652 /nfs/dbraw/zinc/25/86/52/323258652.db2.gz WOJJRSBHXGZZRO-UHFFFAOYSA-N 1 2 238.276 0.556 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccco1 ZINC000532675536 323287863 /nfs/dbraw/zinc/28/78/63/323287863.db2.gz QSDIFKDCZCUTFH-JTQLQIEISA-N 1 2 235.287 0.944 20 0 BCADLO COc1ccc[nH+]c1N[C@H]1CC(=O)N(C)C1 ZINC000309252453 323332279 /nfs/dbraw/zinc/33/22/79/323332279.db2.gz AKSLBZJFDANZNT-QMMMGPOBSA-N 1 2 221.260 0.733 20 0 BCADLO C[C@@H](C[NH2+][C@@H](C)c1nccn1C)S(C)(=O)=O ZINC000309805012 323606576 /nfs/dbraw/zinc/60/65/76/323606576.db2.gz XJALSYGDWXEMJI-IUCAKERBSA-N 1 2 245.348 0.504 20 0 BCADLO CCN(OC)C(=O)CNc1[nH+]cccc1OC ZINC000528038802 323745306 /nfs/dbraw/zinc/74/53/06/323745306.db2.gz BSACGSREHUKPCY-UHFFFAOYSA-N 1 2 239.275 0.912 20 0 BCADLO C[C@H](NC(=O)N[C@H]1C[C@H](O)C1)c1[nH+]ccn1C ZINC000667247045 487961852 /nfs/dbraw/zinc/96/18/52/487961852.db2.gz XZELQCLLGQNAHM-CIUDSAMLSA-N 1 2 238.291 0.304 20 0 BCADLO C[C@@H](NC(=O)N[C@H]1C[C@@H](O)C1)c1[nH+]ccn1C ZINC000667248403 487962037 /nfs/dbraw/zinc/96/20/37/487962037.db2.gz XZELQCLLGQNAHM-HLTSFMKQSA-N 1 2 238.291 0.304 20 0 BCADLO CC(C)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537600834 324083377 /nfs/dbraw/zinc/08/33/77/324083377.db2.gz JGFHRUXUAMKUCS-LBPRGKRZSA-N 1 2 239.363 0.633 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599053 324114604 /nfs/dbraw/zinc/11/46/04/324114604.db2.gz RFGDZUBTWJTAJD-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO COC(=O)C[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000162900333 324135231 /nfs/dbraw/zinc/13/52/31/324135231.db2.gz YXFOAEDAPOXVKU-ZETCQYMHSA-N 1 2 238.243 0.925 20 0 BCADLO c1nnc2c(N3CCn4c[nH+]cc4C3)nccn12 ZINC000521197983 324178464 /nfs/dbraw/zinc/17/84/64/324178464.db2.gz IPYOVOYUHBZQRL-UHFFFAOYSA-N 1 2 241.258 0.341 20 0 BCADLO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1nnn(C)n1 ZINC000398085368 324216554 /nfs/dbraw/zinc/21/65/54/324216554.db2.gz PPRXRBFMQCBUNH-SNVBAGLBSA-N 1 2 249.322 0.221 20 0 BCADLO Cc1cc(NC(=O)NCC2COC2)c(C)c[nH+]1 ZINC000529039292 324236724 /nfs/dbraw/zinc/23/67/24/324236724.db2.gz IGURDYRIZXROFT-UHFFFAOYSA-N 1 2 235.287 0.888 20 0 BCADLO CCn1ncc(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000529588553 324354061 /nfs/dbraw/zinc/35/40/61/324354061.db2.gz FENWIAGNPALRMS-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO COCC1(O)C[NH+](Cc2ccnc(C)c2)C1 ZINC000529609318 324363791 /nfs/dbraw/zinc/36/37/91/324363791.db2.gz SGMKVXITZCXCAX-UHFFFAOYSA-N 1 2 222.288 0.583 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cc1[nH]cc[nH+]1 ZINC000529790238 324398957 /nfs/dbraw/zinc/39/89/57/324398957.db2.gz FRTWCLLWVRTHKN-QPUJVOFHSA-N 1 2 235.287 0.636 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529858357 324413306 /nfs/dbraw/zinc/41/33/06/324413306.db2.gz OUXCPJLPCBRWEA-KCJUWKMLSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC12CC(C1)CO2 ZINC000529878540 324426472 /nfs/dbraw/zinc/42/64/72/324426472.db2.gz YODPZEUOVSYEMO-UHFFFAOYSA-N 1 2 235.287 0.568 20 0 BCADLO C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCO1 ZINC000128619707 324859995 /nfs/dbraw/zinc/85/99/95/324859995.db2.gz IOSNQRPVHYRFRJ-ZDUSSCGKSA-N 1 2 238.331 0.862 20 0 BCADLO COCCC(=O)NCCc1c[nH+]cn1C ZINC000541544975 324964162 /nfs/dbraw/zinc/96/41/62/324964162.db2.gz BMVLEUGQRBBONX-UHFFFAOYSA-N 1 2 211.265 0.115 20 0 BCADLO Cc1ncc(C(=O)NCCc2c[nH+]cn2C)[nH]1 ZINC000542518590 325032520 /nfs/dbraw/zinc/03/25/20/325032520.db2.gz ZCLIOTHTARSMJD-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000130311344 325037144 /nfs/dbraw/zinc/03/71/44/325037144.db2.gz POYATGYIRRSFSF-UHFFFAOYSA-N 1 2 244.726 0.688 20 0 BCADLO Cn1[nH]c(C[N@H+](C)CCc2ccncc2)nc1=O ZINC000543440052 325087928 /nfs/dbraw/zinc/08/79/28/325087928.db2.gz QDZLYVNRXBXYTO-UHFFFAOYSA-N 1 2 247.302 0.178 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)CCc2ccncc2)nc1=O ZINC000543440052 325087934 /nfs/dbraw/zinc/08/79/34/325087934.db2.gz QDZLYVNRXBXYTO-UHFFFAOYSA-N 1 2 247.302 0.178 20 0 BCADLO Cn1cc(C(=O)NCCc2c[nH+]cn2C)cn1 ZINC000544355978 325139047 /nfs/dbraw/zinc/13/90/47/325139047.db2.gz XFGVCFAXOOHYDB-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)on1 ZINC000544367672 325140073 /nfs/dbraw/zinc/14/00/73/325140073.db2.gz HITHLOXIZLUTBS-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000544512227 325145134 /nfs/dbraw/zinc/14/51/34/325145134.db2.gz LSQTXEOLFTYZRZ-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC(=O)NC1 ZINC000131468433 325154148 /nfs/dbraw/zinc/15/41/48/325154148.db2.gz MHOJCCIMRISYNB-QMMMGPOBSA-N 1 2 249.270 0.555 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131818066 325185408 /nfs/dbraw/zinc/18/54/08/325185408.db2.gz RVAUQAFQDLRDMP-AAEUAGOBSA-N 1 2 240.347 0.871 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)NCC)CCO1 ZINC000132254833 325207641 /nfs/dbraw/zinc/20/76/41/325207641.db2.gz FQFIZJIKRFIGAZ-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)NCC)CCO1 ZINC000132254833 325207643 /nfs/dbraw/zinc/20/76/43/325207643.db2.gz FQFIZJIKRFIGAZ-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO O=C([C@@H]1C[C@@]12CCOC2)N1CC(n2cc[nH+]c2)C1 ZINC000545895025 325243800 /nfs/dbraw/zinc/24/38/00/325243800.db2.gz LXOQSEWSAPWLOZ-WCQYABFASA-N 1 2 247.298 0.693 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000545980911 325253275 /nfs/dbraw/zinc/25/32/75/325253275.db2.gz PWDIBMROJDWOFW-ZJUUUORDSA-N 1 2 249.270 0.076 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CC[C@@H](C)O ZINC000075781048 325311927 /nfs/dbraw/zinc/31/19/27/325311927.db2.gz HKLLVVRCFRJFLL-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CC[C@@H](C)O ZINC000075781048 325311930 /nfs/dbraw/zinc/31/19/30/325311930.db2.gz HKLLVVRCFRJFLL-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133848565 325324348 /nfs/dbraw/zinc/32/43/48/325324348.db2.gz YIUFQOGAUDPEEO-SNVBAGLBSA-N 1 2 245.319 0.459 20 0 BCADLO Cc1cc(NC(=O)NC2(C(N)=O)CC2)c(C)c[nH+]1 ZINC000547351851 325346432 /nfs/dbraw/zinc/34/64/32/325346432.db2.gz HOOJNPBTIPYXEY-UHFFFAOYSA-N 1 2 248.286 0.260 20 0 BCADLO O=C(C1CC1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000077119347 325366104 /nfs/dbraw/zinc/36/61/04/325366104.db2.gz YDPUJWAVOJEGEV-UHFFFAOYSA-N 1 2 248.330 0.437 20 0 BCADLO O=C(C1CC1)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000077119347 325366106 /nfs/dbraw/zinc/36/61/06/325366106.db2.gz YDPUJWAVOJEGEV-UHFFFAOYSA-N 1 2 248.330 0.437 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)CO ZINC000547539890 325369739 /nfs/dbraw/zinc/36/97/39/325369739.db2.gz IACLKRBPZVSXPA-RKDXNWHRSA-N 1 2 225.292 0.096 20 0 BCADLO CC[C@H]1COCCN1C(=O)Cc1c[nH+]cn1C ZINC000547539456 325371156 /nfs/dbraw/zinc/37/11/56/325371156.db2.gz DBYWXRJBIYKLOD-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(F)(F)F ZINC000547539885 325371656 /nfs/dbraw/zinc/37/16/56/325371656.db2.gz GUANCIDOTHZEAX-UHFFFAOYSA-N 1 2 221.182 0.641 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccoc1 ZINC000547539764 325371689 /nfs/dbraw/zinc/37/16/89/325371689.db2.gz YJXHNFSSQKOKMN-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO Cc1nccc(NC(=O)NCc2[nH+]ccn2C)n1 ZINC000547543332 325371895 /nfs/dbraw/zinc/37/18/95/325371895.db2.gz UQEYMISQFMDPMQ-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cnns2)CC1 ZINC000077301355 325372924 /nfs/dbraw/zinc/37/29/24/325372924.db2.gz WAIMPPVWZDEBBC-UHFFFAOYSA-N 1 2 226.305 0.316 20 0 BCADLO CCOC(=O)c1cnc(-n2cc[nH+]c2)cn1 ZINC000547632678 325376240 /nfs/dbraw/zinc/37/62/40/325376240.db2.gz GKWYKLQYGJFQCR-UHFFFAOYSA-N 1 2 218.216 0.839 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548460972 325460377 /nfs/dbraw/zinc/46/03/77/325460377.db2.gz SGLJRDKKUXHJGG-ONGXEEELSA-N 1 2 237.303 0.504 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccc(O)cc1 ZINC000548519466 325466075 /nfs/dbraw/zinc/46/60/75/325466075.db2.gz SSLZEPOHJQEEJO-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO CCn1cc(CC(=O)NCc2[nH+]ccn2C)cn1 ZINC000548700817 325474410 /nfs/dbraw/zinc/47/44/10/325474410.db2.gz ZRCPSOIOOXBIJY-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](O)C1CC1 ZINC000548714626 325475509 /nfs/dbraw/zinc/47/55/09/325475509.db2.gz ULNHMEAPFXTOBE-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000548929457 325493262 /nfs/dbraw/zinc/49/32/62/325493262.db2.gz YCGQYPMPMLPMDJ-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000552014113 325585474 /nfs/dbraw/zinc/58/54/74/325585474.db2.gz ZRWOVOBNLDEWJU-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)CC(C)C)[C@H](C)O ZINC000249067689 325634647 /nfs/dbraw/zinc/63/46/47/325634647.db2.gz QLMQXCNQXKCFGZ-LPEHRKFASA-N 1 2 217.309 0.933 20 0 BCADLO C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1c[nH+]cn1C ZINC000249452446 325649389 /nfs/dbraw/zinc/64/93/89/325649389.db2.gz MNZWTMNBIRAZOD-KKZNHRDASA-N 1 2 234.303 0.649 20 0 BCADLO Cc1nc(N2C[C@@H](O)CC(F)(F)C2)cc[nH+]1 ZINC000682477459 487969670 /nfs/dbraw/zinc/96/96/70/487969670.db2.gz QRIPPXGEKJMOLH-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccccc1CO ZINC000555221665 325749898 /nfs/dbraw/zinc/74/98/98/325749898.db2.gz LUHSVIVRSDONKG-UHFFFAOYSA-N 1 2 245.282 0.692 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NCCO)ccn12 ZINC000565171309 325867377 /nfs/dbraw/zinc/86/73/77/325867377.db2.gz JJGOEWFROSGWAU-UHFFFAOYSA-N 1 2 219.244 0.365 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ncccc1N ZINC000132533834 487971555 /nfs/dbraw/zinc/97/15/55/487971555.db2.gz FNKKZDCAMMCFKX-UHFFFAOYSA-N 1 2 245.286 0.670 20 0 BCADLO CC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000566306549 326031544 /nfs/dbraw/zinc/03/15/44/326031544.db2.gz SDTXGDYOVUCNLS-QMMMGPOBSA-N 1 2 210.281 0.385 20 0 BCADLO CC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000566306549 326031547 /nfs/dbraw/zinc/03/15/47/326031547.db2.gz SDTXGDYOVUCNLS-QMMMGPOBSA-N 1 2 210.281 0.385 20 0 BCADLO C[C@@H](CC(=O)NC[C@H](O)C1CC1)n1cc[nH+]c1 ZINC000566331370 326034455 /nfs/dbraw/zinc/03/44/55/326034455.db2.gz LEVINXNCNRIHTK-ONGXEEELSA-N 1 2 237.303 0.721 20 0 BCADLO CO[C@H](C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000566430040 326045629 /nfs/dbraw/zinc/04/56/29/326045629.db2.gz GWURGTVZNCDQNH-LLVKDONJSA-N 1 2 222.292 0.519 20 0 BCADLO CO[C@H](C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000566430040 326045631 /nfs/dbraw/zinc/04/56/31/326045631.db2.gz GWURGTVZNCDQNH-LLVKDONJSA-N 1 2 222.292 0.519 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000566429961 326045710 /nfs/dbraw/zinc/04/57/10/326045710.db2.gz DJXWHTGKRSLZHP-LBPRGKRZSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CCn2nncc2C1 ZINC000566429961 326045711 /nfs/dbraw/zinc/04/57/11/326045711.db2.gz DJXWHTGKRSLZHP-LBPRGKRZSA-N 1 2 238.335 0.891 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCO)C1CC1 ZINC000566622129 326069020 /nfs/dbraw/zinc/06/90/20/326069020.db2.gz QKKZNQLPRMDGRL-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO Fc1cncc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000566629057 326070080 /nfs/dbraw/zinc/07/00/80/326070080.db2.gz XNAODVCWLXLHAH-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cncc(C[N@H+]2CCn3nncc3C2)c1 ZINC000566629057 326070082 /nfs/dbraw/zinc/07/00/82/326070082.db2.gz XNAODVCWLXLHAH-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO COC[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000566697241 326075638 /nfs/dbraw/zinc/07/56/38/326075638.db2.gz DNALKPAYQKDGMG-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO COC[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000566697241 326075639 /nfs/dbraw/zinc/07/56/39/326075639.db2.gz DNALKPAYQKDGMG-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(C(C)=O)CC1 ZINC000566866144 326089952 /nfs/dbraw/zinc/08/99/52/326089952.db2.gz IJZXTRKYFNKQBX-UHFFFAOYSA-N 1 2 235.287 0.888 20 0 BCADLO Cc1ccnc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000567191410 326132758 /nfs/dbraw/zinc/13/27/58/326132758.db2.gz IIEHYHYLOZKASZ-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO CN(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000567249464 326150830 /nfs/dbraw/zinc/15/08/30/326150830.db2.gz GJPVYJMIESIMIK-AOOOYVTPSA-N 1 2 227.308 0.121 20 0 BCADLO CN(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000567249464 326150832 /nfs/dbraw/zinc/15/08/32/326150832.db2.gz GJPVYJMIESIMIK-AOOOYVTPSA-N 1 2 227.308 0.121 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000154875159 326169221 /nfs/dbraw/zinc/16/92/21/326169221.db2.gz DOCHLOWVHBNBIY-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000154875159 326169224 /nfs/dbraw/zinc/16/92/24/326169224.db2.gz DOCHLOWVHBNBIY-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000309848005 326171376 /nfs/dbraw/zinc/17/13/76/326171376.db2.gz VPHJUWSFQUCYIM-PWSUYJOCSA-N 1 2 229.320 0.935 20 0 BCADLO C[C@H]1[C@H](CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000567359039 326173514 /nfs/dbraw/zinc/17/35/14/326173514.db2.gz GYDKRWIBPUSNHA-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000154941497 326174387 /nfs/dbraw/zinc/17/43/87/326174387.db2.gz HFPRUXRDVHNEEM-ZYHUDNBSSA-N 1 2 245.319 0.315 20 0 BCADLO COCC1(CC(=O)NCc2[nH+]ccn2C)CC1 ZINC000567591418 326224722 /nfs/dbraw/zinc/22/47/22/326224722.db2.gz RXDXLMIFVZRQKN-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)C(=O)OC ZINC000567609919 326228519 /nfs/dbraw/zinc/22/85/19/326228519.db2.gz QIFOTQYIKFINMK-WDEREUQCSA-N 1 2 245.319 0.723 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCOC2 ZINC000567626502 326231851 /nfs/dbraw/zinc/23/18/51/326231851.db2.gz OGVYALAIIQHBLW-SNVBAGLBSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCOC2 ZINC000567626502 326231853 /nfs/dbraw/zinc/23/18/53/326231853.db2.gz OGVYALAIIQHBLW-SNVBAGLBSA-N 1 2 249.314 0.837 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156517311 326234494 /nfs/dbraw/zinc/23/44/94/326234494.db2.gz BEJIOEQNMZUFMM-UWVGGRQHSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156517311 326234497 /nfs/dbraw/zinc/23/44/97/326234497.db2.gz BEJIOEQNMZUFMM-UWVGGRQHSA-N 1 2 214.309 0.620 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000567767139 326256567 /nfs/dbraw/zinc/25/65/67/326256567.db2.gz CLJDSOSNEACTIN-RKDXNWHRSA-N 1 2 209.249 0.611 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(S(C)(=O)=O)C1 ZINC000567915209 326282815 /nfs/dbraw/zinc/28/28/15/326282815.db2.gz KRVINJIQHYNMKX-UHFFFAOYSA-N 1 2 241.316 0.327 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000567963087 326288770 /nfs/dbraw/zinc/28/87/70/326288770.db2.gz MEDQXSXGOCOXQS-WCBMZHEXSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000567963087 326288771 /nfs/dbraw/zinc/28/87/71/326288771.db2.gz MEDQXSXGOCOXQS-WCBMZHEXSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)CO ZINC000568194506 326324447 /nfs/dbraw/zinc/32/44/47/326324447.db2.gz KKKINRYPKBHZEM-VIFPVBQESA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(O)C1 ZINC000568198192 326324588 /nfs/dbraw/zinc/32/45/88/326324588.db2.gz VUZJNTYQMZFCRR-BXKDBHETSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(O)C1 ZINC000568198192 326324590 /nfs/dbraw/zinc/32/45/90/326324590.db2.gz VUZJNTYQMZFCRR-BXKDBHETSA-N 1 2 237.303 0.572 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568209281 326326607 /nfs/dbraw/zinc/32/66/07/326326607.db2.gz UAMCMXZKQSZIJA-DOGVGXBMSA-N 1 2 240.347 0.772 20 0 BCADLO C[C@@H](NC(=O)Cc1cncc(O)c1)c1[nH]cc[nH+]1 ZINC000568233562 326331082 /nfs/dbraw/zinc/33/10/82/326331082.db2.gz SRAMCMRIBPWQDX-MRVPVSSYSA-N 1 2 246.270 0.930 20 0 BCADLO OC[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000568339659 326345289 /nfs/dbraw/zinc/34/52/89/326345289.db2.gz BCYPFAYGXCUGLD-JOYOIKCWSA-N 1 2 247.298 0.742 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568396748 326354360 /nfs/dbraw/zinc/35/43/60/326354360.db2.gz VBCFILHMYSDWAJ-IUCAKERBSA-N 1 2 238.291 0.085 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CO[C@@H](C)C1 ZINC000568763453 326376276 /nfs/dbraw/zinc/37/62/76/326376276.db2.gz OPHWYFZDMBMIAS-VHSXEESVSA-N 1 2 237.303 0.944 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000569157111 326393248 /nfs/dbraw/zinc/39/32/48/326393248.db2.gz SVYGGQBQALALSH-VIFPVBQESA-N 1 2 223.276 0.210 20 0 BCADLO CCc1cc(CNC(=O)Cn2cc[nH+]c2)on1 ZINC000572661149 326403229 /nfs/dbraw/zinc/40/32/29/326403229.db2.gz PJWUPSBFCBEXHQ-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(F)(F)C1 ZINC000682527829 487977587 /nfs/dbraw/zinc/97/75/87/487977587.db2.gz KHRIHEDHBKBFHZ-QMMMGPOBSA-N 1 2 241.241 0.923 20 0 BCADLO CCNC(=O)C[NH2+]Cc1ncnn1C(C)C ZINC000083977688 487978054 /nfs/dbraw/zinc/97/80/54/487978054.db2.gz LMXMQBSJXJNUBD-UHFFFAOYSA-N 1 2 225.296 0.085 20 0 BCADLO O[C@@H]1CN(CCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682542402 487982353 /nfs/dbraw/zinc/98/23/53/487982353.db2.gz FSBIBRRQPMDYPR-VIFPVBQESA-N 1 2 231.246 0.585 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CC[C@@H]1CCNC1=O)CC2 ZINC000653612412 487982203 /nfs/dbraw/zinc/98/22/03/487982203.db2.gz OQJAWJHXOXPVBO-NSHDSACASA-N 1 2 248.330 0.533 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CC[C@@H]1CCNC1=O)CC2 ZINC000653612412 487982205 /nfs/dbraw/zinc/98/22/05/487982205.db2.gz OQJAWJHXOXPVBO-NSHDSACASA-N 1 2 248.330 0.533 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000093385127 487982785 /nfs/dbraw/zinc/98/27/85/487982785.db2.gz FKRBMFVZBQGRJU-QMMMGPOBSA-N 1 2 245.348 0.583 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000093385127 487982790 /nfs/dbraw/zinc/98/27/90/487982790.db2.gz FKRBMFVZBQGRJU-QMMMGPOBSA-N 1 2 245.348 0.583 20 0 BCADLO COCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548886 487985797 /nfs/dbraw/zinc/98/57/97/487985797.db2.gz SAZSNNXEBRBKKD-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548886 487985804 /nfs/dbraw/zinc/98/58/04/487985804.db2.gz SAZSNNXEBRBKKD-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCCC[C@@H]1C ZINC000191712723 487986416 /nfs/dbraw/zinc/98/64/16/487986416.db2.gz NDJANGPDFYIKIX-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCCC[C@@H]1C ZINC000191712723 487986426 /nfs/dbraw/zinc/98/64/26/487986426.db2.gz NDJANGPDFYIKIX-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO COC[C@@H](C)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682558187 487988955 /nfs/dbraw/zinc/98/89/55/487988955.db2.gz JYULWPOJVQAIMT-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682558187 487988960 /nfs/dbraw/zinc/98/89/60/487988960.db2.gz JYULWPOJVQAIMT-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO CC(C)CCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081918 487996476 /nfs/dbraw/zinc/99/64/76/487996476.db2.gz LLAGNFJTRGCQPT-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO CC(C)CCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081918 487996479 /nfs/dbraw/zinc/99/64/79/487996479.db2.gz LLAGNFJTRGCQPT-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO CO[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000668604922 487998421 /nfs/dbraw/zinc/99/84/21/487998421.db2.gz XDLQUQVSCVZAKW-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnc2n1CCC2 ZINC000668604623 487997987 /nfs/dbraw/zinc/99/79/87/487997987.db2.gz RWQGPZPPIVNVGH-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](O)C1 ZINC000134824652 488000958 /nfs/dbraw/zinc/00/09/58/488000958.db2.gz HOCDRTVTVOGTTA-SSDOTTSWSA-N 1 2 224.264 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](O)C1 ZINC000134824652 488000963 /nfs/dbraw/zinc/00/09/63/488000963.db2.gz HOCDRTVTVOGTTA-SSDOTTSWSA-N 1 2 224.264 0.029 20 0 BCADLO CCN1CC[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000677196779 488001076 /nfs/dbraw/zinc/00/10/76/488001076.db2.gz VRACCOMRZKADPQ-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000677196779 488001079 /nfs/dbraw/zinc/00/10/79/488001079.db2.gz VRACCOMRZKADPQ-MNOVXSKESA-N 1 2 225.336 0.243 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)C(C)(C)O)c[nH+]1 ZINC000677293561 488007158 /nfs/dbraw/zinc/00/71/58/488007158.db2.gz NXDXWOBVZYRFEV-ZCFIWIBFSA-N 1 2 211.265 0.607 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644836299 488009548 /nfs/dbraw/zinc/00/95/48/488009548.db2.gz BVNOWVRZDMWVFV-WDEREUQCSA-N 1 2 207.277 0.702 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644836299 488009554 /nfs/dbraw/zinc/00/95/54/488009554.db2.gz BVNOWVRZDMWVFV-WDEREUQCSA-N 1 2 207.277 0.702 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCS[C@H](C)C2)C1=O ZINC000682676705 488012097 /nfs/dbraw/zinc/01/20/97/488012097.db2.gz DJOLEJOWHGFCEJ-BDAKNGLRSA-N 1 2 230.333 0.586 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCS[C@H](C)C2)C1=O ZINC000682676705 488012100 /nfs/dbraw/zinc/01/21/00/488012100.db2.gz DJOLEJOWHGFCEJ-BDAKNGLRSA-N 1 2 230.333 0.586 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CSC[NH2+]1 ZINC000074896643 488025190 /nfs/dbraw/zinc/02/51/90/488025190.db2.gz AMZZKJIYISZIMQ-VIFPVBQESA-N 1 2 248.311 0.935 20 0 BCADLO O=C(Nc1ccc2nccn2c1)[C@@H]1CSC[NH2+]1 ZINC000074896643 488025194 /nfs/dbraw/zinc/02/51/94/488025194.db2.gz AMZZKJIYISZIMQ-VIFPVBQESA-N 1 2 248.311 0.935 20 0 BCADLO COCc1csc(C[N@H+](C)CC(N)=O)c1 ZINC000667495900 488028854 /nfs/dbraw/zinc/02/88/54/488028854.db2.gz AVACUSVZRPPBAI-UHFFFAOYSA-N 1 2 228.317 0.812 20 0 BCADLO COCc1csc(C[N@@H+](C)CC(N)=O)c1 ZINC000667495900 488028859 /nfs/dbraw/zinc/02/88/59/488028859.db2.gz AVACUSVZRPPBAI-UHFFFAOYSA-N 1 2 228.317 0.812 20 0 BCADLO COc1c(N)[nH+]cnc1NCCOC(C)C ZINC000159417575 488028936 /nfs/dbraw/zinc/02/89/36/488028936.db2.gz GBWJZANPQVONBT-UHFFFAOYSA-N 1 2 226.280 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NCCOC(C)C ZINC000159417575 488028951 /nfs/dbraw/zinc/02/89/51/488028951.db2.gz GBWJZANPQVONBT-UHFFFAOYSA-N 1 2 226.280 0.904 20 0 BCADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000682783649 488040395 /nfs/dbraw/zinc/04/03/95/488040395.db2.gz IERQGFWYRVRFLG-NEPJUHHUSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000682783649 488040396 /nfs/dbraw/zinc/04/03/96/488040396.db2.gz IERQGFWYRVRFLG-NEPJUHHUSA-N 1 2 249.314 0.980 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)ncn1 ZINC000677461000 488040957 /nfs/dbraw/zinc/04/09/57/488040957.db2.gz SYYXMLPGHLUUCO-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO COCC(C)(C)C[N@H+](C)Cc1nncn1C ZINC000685472407 488041836 /nfs/dbraw/zinc/04/18/36/488041836.db2.gz CMVWJHIDONFRFD-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO COCC(C)(C)C[N@@H+](C)Cc1nncn1C ZINC000685472407 488041840 /nfs/dbraw/zinc/04/18/40/488041840.db2.gz CMVWJHIDONFRFD-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO C[N@H+](CCO)Cc1noc2c1CCCC2 ZINC000303994792 488047699 /nfs/dbraw/zinc/04/76/99/488047699.db2.gz OPCNWEPULDTYDO-UHFFFAOYSA-N 1 2 210.277 0.978 20 0 BCADLO C[N@@H+](CCO)Cc1noc2c1CCCC2 ZINC000303994792 488047703 /nfs/dbraw/zinc/04/77/03/488047703.db2.gz OPCNWEPULDTYDO-UHFFFAOYSA-N 1 2 210.277 0.978 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C(N)=O)C1 ZINC000656119539 488050402 /nfs/dbraw/zinc/05/04/02/488050402.db2.gz RVIJPSKERNZVGL-MRVPVSSYSA-N 1 2 236.275 0.105 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)CCOCCO ZINC000656185339 488062178 /nfs/dbraw/zinc/06/21/78/488062178.db2.gz XUVQOQDJQJJMGI-UHFFFAOYSA-N 1 2 241.291 0.239 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnco1 ZINC000677515964 488062633 /nfs/dbraw/zinc/06/26/33/488062633.db2.gz AIENMJPVFRERTF-QMMMGPOBSA-N 1 2 220.232 0.690 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000401772885 488065408 /nfs/dbraw/zinc/06/54/08/488065408.db2.gz KOYFOHKXURFHEC-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000401772885 488065410 /nfs/dbraw/zinc/06/54/10/488065410.db2.gz KOYFOHKXURFHEC-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO Cc1cc(N2C[C@H](O)CC(F)(F)C2)nc[nH+]1 ZINC000682475594 488065566 /nfs/dbraw/zinc/06/55/66/488065566.db2.gz BGFYMRIKUIZWDY-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO CC[C@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000682978335 488077369 /nfs/dbraw/zinc/07/73/69/488077369.db2.gz ZRSALKXAAWWZTJ-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO CC[C@@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000682978326 488077552 /nfs/dbraw/zinc/07/75/52/488077552.db2.gz ZRSALKXAAWWZTJ-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667679549 488084160 /nfs/dbraw/zinc/08/41/60/488084160.db2.gz IGFBUNVLRPMVMU-VROVMSAKSA-N 1 2 234.255 0.921 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CC(=O)N1 ZINC000667679537 488084129 /nfs/dbraw/zinc/08/41/29/488084129.db2.gz HTVAQPFXCYZLMI-SSDOTTSWSA-N 1 2 235.243 0.307 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cc1cnnn1C ZINC000667679784 488084757 /nfs/dbraw/zinc/08/47/57/488084757.db2.gz OEMAIESUQKGJCU-UHFFFAOYSA-N 1 2 247.258 0.400 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000092256933 488087467 /nfs/dbraw/zinc/08/74/67/488087467.db2.gz YIEMDVUMZSIMDG-SNVBAGLBSA-N 1 2 213.281 0.157 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000092256933 488087473 /nfs/dbraw/zinc/08/74/73/488087473.db2.gz YIEMDVUMZSIMDG-SNVBAGLBSA-N 1 2 213.281 0.157 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2cc(C)ccn2)CCO1 ZINC000683020565 488096080 /nfs/dbraw/zinc/09/60/80/488096080.db2.gz AREZGULDSPZPFE-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccn2)CCO1 ZINC000683020565 488096085 /nfs/dbraw/zinc/09/60/85/488096085.db2.gz AREZGULDSPZPFE-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CCCn1nccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000667711069 488097330 /nfs/dbraw/zinc/09/73/30/488097330.db2.gz WRHZWMUFFRXSSJ-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCCn1nccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000667711069 488097339 /nfs/dbraw/zinc/09/73/39/488097339.db2.gz WRHZWMUFFRXSSJ-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000683038783 488101693 /nfs/dbraw/zinc/10/16/93/488101693.db2.gz UUNWEPUKIHTGMG-IUCAKERBSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H](CO)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000683038783 488101697 /nfs/dbraw/zinc/10/16/97/488101697.db2.gz UUNWEPUKIHTGMG-IUCAKERBSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000677728818 488106525 /nfs/dbraw/zinc/10/65/25/488106525.db2.gz XNLLMNNLCPYGNK-WPRPVWTQSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000677728818 488106529 /nfs/dbraw/zinc/10/65/29/488106529.db2.gz XNLLMNNLCPYGNK-WPRPVWTQSA-N 1 2 236.319 0.648 20 0 BCADLO NC(C(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000669508380 488109095 /nfs/dbraw/zinc/10/90/95/488109095.db2.gz PYHHDEOMDTVIKC-MRVPVSSYSA-N 1 2 247.220 0.973 20 0 BCADLO N[C@H](C(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000669508380 488109099 /nfs/dbraw/zinc/10/90/99/488109099.db2.gz PYHHDEOMDTVIKC-MRVPVSSYSA-N 1 2 247.220 0.973 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660597692 488109889 /nfs/dbraw/zinc/10/98/89/488109889.db2.gz TWHHHUURZCDYHP-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660597692 488109894 /nfs/dbraw/zinc/10/98/94/488109894.db2.gz TWHHHUURZCDYHP-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660597692 488109895 /nfs/dbraw/zinc/10/98/95/488109895.db2.gz TWHHHUURZCDYHP-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660597692 488109900 /nfs/dbraw/zinc/10/99/00/488109900.db2.gz TWHHHUURZCDYHP-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO CN1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000677734864 488112316 /nfs/dbraw/zinc/11/23/16/488112316.db2.gz YEAXBODHFIKBIY-MRVPVSSYSA-N 1 2 230.258 0.948 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000682549568 488117549 /nfs/dbraw/zinc/11/75/49/488117549.db2.gz ZKCJHSHKNSDUGJ-SECBINFHSA-N 1 2 231.246 0.622 20 0 BCADLO C[C@@H](CNC(=O)CCCF)[NH+]1CCN(C)CC1 ZINC000668696636 488125722 /nfs/dbraw/zinc/12/57/22/488125722.db2.gz SGPQXRXOXILPDP-NSHDSACASA-N 1 2 245.342 0.488 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C2CC2)cnn1C ZINC000668789423 487537880 /nfs/dbraw/zinc/53/78/80/487537880.db2.gz WBRRQIADYXJRNA-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C2CC2)cnn1C ZINC000668789423 487537885 /nfs/dbraw/zinc/53/78/85/487537885.db2.gz WBRRQIADYXJRNA-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)CCCF)CCO1 ZINC000667816127 488128091 /nfs/dbraw/zinc/12/80/91/488128091.db2.gz LAGWWMMYVQXQGV-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)CCCF)CCO1 ZINC000667816127 488128097 /nfs/dbraw/zinc/12/80/97/488128097.db2.gz LAGWWMMYVQXQGV-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccnc(OC)c1 ZINC000677818446 488133386 /nfs/dbraw/zinc/13/33/86/488133386.db2.gz NYSLABKAYJSAEK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccnc(OC)c1 ZINC000677818446 488133391 /nfs/dbraw/zinc/13/33/91/488133391.db2.gz NYSLABKAYJSAEK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO Nc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000168750965 487539767 /nfs/dbraw/zinc/53/97/67/487539767.db2.gz XYMNTAKFZOFFQH-NSHDSACASA-N 1 2 246.314 0.470 20 0 BCADLO Nc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000168750965 487539761 /nfs/dbraw/zinc/53/97/61/487539761.db2.gz XYMNTAKFZOFFQH-NSHDSACASA-N 1 2 246.314 0.470 20 0 BCADLO Cc1[nH+]cccc1Cn1nccc1C(N)=O ZINC000685582211 487550531 /nfs/dbraw/zinc/55/05/31/487550531.db2.gz GUSQGNDXXJGYMO-UHFFFAOYSA-N 1 2 216.244 0.734 20 0 BCADLO CCn1ccc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000300925967 487550866 /nfs/dbraw/zinc/55/08/66/487550866.db2.gz VBLTYPNDZFZPDW-ZETCQYMHSA-N 1 2 226.305 0.504 20 0 BCADLO CCn1c[nH+]cc1CN(C)CC(=O)NC ZINC000668787585 487532709 /nfs/dbraw/zinc/53/27/09/487532709.db2.gz DYASMQXJFXLSSI-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(C(N)=O)cn1 ZINC000685580251 487556945 /nfs/dbraw/zinc/55/69/45/487556945.db2.gz QJPMCLVXHMDQNP-UHFFFAOYSA-N 1 2 216.244 0.734 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCC(=O)N1 ZINC000664471919 487533377 /nfs/dbraw/zinc/53/33/77/487533377.db2.gz DUBLPNUKVJAPBM-QMMMGPOBSA-N 1 2 236.275 0.484 20 0 BCADLO CO[C@H](C)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000679855129 487474655 /nfs/dbraw/zinc/47/46/55/487474655.db2.gz RCIPNJKVFSSOFC-NEPJUHHUSA-N 1 2 228.336 0.428 20 0 BCADLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)ccn1C ZINC000684970236 487477832 /nfs/dbraw/zinc/47/78/32/487477832.db2.gz PBNJVISILUGBLO-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)ccn1C ZINC000684970236 487477834 /nfs/dbraw/zinc/47/78/34/487477834.db2.gz PBNJVISILUGBLO-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1cn2c(n1)C[N@H+](C[C@H](C)CO)CC2 ZINC000679867478 487478038 /nfs/dbraw/zinc/47/80/38/487478038.db2.gz DBEAOXUYGUTXEJ-VIFPVBQESA-N 1 2 209.293 0.636 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](C[C@H](C)CO)CC2 ZINC000679867478 487478040 /nfs/dbraw/zinc/47/80/40/487478040.db2.gz DBEAOXUYGUTXEJ-VIFPVBQESA-N 1 2 209.293 0.636 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)Cc1cc(=O)c(O)co1 ZINC000673927042 487480774 /nfs/dbraw/zinc/48/07/74/487480774.db2.gz IXDVBQSJCMKCGW-UHFFFAOYSA-N 1 2 235.243 0.701 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(=O)c(O)co1 ZINC000673927042 487480778 /nfs/dbraw/zinc/48/07/78/487480778.db2.gz IXDVBQSJCMKCGW-UHFFFAOYSA-N 1 2 235.243 0.701 20 0 BCADLO COc1ccnc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000673936292 487486164 /nfs/dbraw/zinc/48/61/64/487486164.db2.gz WZXNFRJQEVFRIX-UHFFFAOYSA-N 1 2 245.238 0.865 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cocn1 ZINC000673943900 487486926 /nfs/dbraw/zinc/48/69/26/487486926.db2.gz ATXREPZGUWJLLD-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnn1C(C)C ZINC000685000696 487489264 /nfs/dbraw/zinc/48/92/64/487489264.db2.gz NFPUDDVTECDYOE-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnn1C(C)C ZINC000685000696 487489267 /nfs/dbraw/zinc/48/92/67/487489267.db2.gz NFPUDDVTECDYOE-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000521366146 487493516 /nfs/dbraw/zinc/49/35/16/487493516.db2.gz GZEPYNRZYPPRQO-CYBMUJFWSA-N 1 2 248.330 0.758 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000521366146 487493522 /nfs/dbraw/zinc/49/35/22/487493522.db2.gz GZEPYNRZYPPRQO-CYBMUJFWSA-N 1 2 248.330 0.758 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000685036667 487493473 /nfs/dbraw/zinc/49/34/73/487493473.db2.gz ZJROMZNHKBXSGW-SECBINFHSA-N 1 2 233.275 0.793 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000685036667 487493478 /nfs/dbraw/zinc/49/34/78/487493478.db2.gz ZJROMZNHKBXSGW-SECBINFHSA-N 1 2 233.275 0.793 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](c3ccco3)C2)n1 ZINC000685036668 487493839 /nfs/dbraw/zinc/49/38/39/487493839.db2.gz ZJROMZNHKBXSGW-VIFPVBQESA-N 1 2 233.275 0.793 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](c3ccco3)C2)n1 ZINC000685036668 487493846 /nfs/dbraw/zinc/49/38/46/487493846.db2.gz ZJROMZNHKBXSGW-VIFPVBQESA-N 1 2 233.275 0.793 20 0 BCADLO C[C@H]([NH2+]Cc1ccon1)C(=O)N1CCCC1 ZINC000086453774 487511283 /nfs/dbraw/zinc/51/12/83/487511283.db2.gz CJPYBMVLLSJBOY-VIFPVBQESA-N 1 2 223.276 0.775 20 0 BCADLO NC(=O)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000674064932 487507791 /nfs/dbraw/zinc/50/77/91/487507791.db2.gz DUUMANUGHKUKSV-VIFPVBQESA-N 1 2 242.282 0.941 20 0 BCADLO FC[C@@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000668237520 487519696 /nfs/dbraw/zinc/51/96/96/487519696.db2.gz QQUXINIXIALWDJ-LLVKDONJSA-N 1 2 239.294 1.000 20 0 BCADLO FC[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000668237520 487519699 /nfs/dbraw/zinc/51/96/99/487519699.db2.gz QQUXINIXIALWDJ-LLVKDONJSA-N 1 2 239.294 1.000 20 0 BCADLO C[C@H](c1nnnn1C)N(C)Cc1[nH]cc[nH+]1 ZINC000685411827 487517149 /nfs/dbraw/zinc/51/71/49/487517149.db2.gz BWKVTNLWDWCQJE-SSDOTTSWSA-N 1 2 221.268 0.126 20 0 BCADLO Cc1nc(N2CC[C@H](S(C)(=O)=O)C2)cc[nH+]1 ZINC000669662712 487518654 /nfs/dbraw/zinc/51/86/54/487518654.db2.gz XXEOUIWQCNXDOP-VIFPVBQESA-N 1 2 241.316 0.408 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000685436560 487522206 /nfs/dbraw/zinc/52/22/06/487522206.db2.gz NMCSLCKLYJTNQO-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000685436560 487522210 /nfs/dbraw/zinc/52/22/10/487522210.db2.gz NMCSLCKLYJTNQO-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1ncccc1O ZINC000685429893 487522297 /nfs/dbraw/zinc/52/22/97/487522297.db2.gz MJFQMOGLFHHJPE-UHFFFAOYSA-N 1 2 233.275 0.688 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000680075116 487533992 /nfs/dbraw/zinc/53/39/92/487533992.db2.gz XXIPLCUBUGWIAY-JGVFFNPUSA-N 1 2 227.333 0.913 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000680075116 487533997 /nfs/dbraw/zinc/53/39/97/487533997.db2.gz XXIPLCUBUGWIAY-JGVFFNPUSA-N 1 2 227.333 0.913 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cncc2ncnn21 ZINC000685903691 487592926 /nfs/dbraw/zinc/59/29/26/487592926.db2.gz LJYVQJMFIHEUPI-SECBINFHSA-N 1 2 243.274 0.821 20 0 BCADLO O[C@@H]1C[C@H](O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000674747933 487610545 /nfs/dbraw/zinc/61/05/45/487610545.db2.gz ZGRSTLJZZJPDRR-AOOOYVTPSA-N 1 2 245.282 0.562 20 0 BCADLO c1nnn2c1C[N@H+](Cc1cnn3c1CCC3)CC2 ZINC000668295089 487632006 /nfs/dbraw/zinc/63/20/06/487632006.db2.gz JFQCEQHDFZUQDI-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO c1nnn2c1C[N@@H+](Cc1cnn3c1CCC3)CC2 ZINC000668295089 487632009 /nfs/dbraw/zinc/63/20/09/487632009.db2.gz JFQCEQHDFZUQDI-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO Cc1cc(N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nc[nH+]1 ZINC000682474201 487968863 /nfs/dbraw/zinc/96/88/63/487968863.db2.gz WANOBKYQJHKOOS-UMNHJUIQSA-N 1 2 246.314 0.875 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)CO ZINC000134906645 488005070 /nfs/dbraw/zinc/00/50/70/488005070.db2.gz LYEJYTIYHNCGTK-LURJTMIESA-N 1 2 212.253 0.108 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)CO ZINC000134906645 488005072 /nfs/dbraw/zinc/00/50/72/488005072.db2.gz LYEJYTIYHNCGTK-LURJTMIESA-N 1 2 212.253 0.108 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CSC[NH2+]1 ZINC000074896645 488025677 /nfs/dbraw/zinc/02/56/77/488025677.db2.gz AMZZKJIYISZIMQ-SECBINFHSA-N 1 2 248.311 0.935 20 0 BCADLO O=C(Nc1ccc2nccn2c1)[C@H]1CSC[NH2+]1 ZINC000074896645 488025680 /nfs/dbraw/zinc/02/56/80/488025680.db2.gz AMZZKJIYISZIMQ-SECBINFHSA-N 1 2 248.311 0.935 20 0 BCADLO CN(CCO)c1ccc(NCc2cn[nH]c2)[nH+]c1 ZINC000677850217 488140312 /nfs/dbraw/zinc/14/03/12/488140312.db2.gz LWLDHLJZMKCJOC-UHFFFAOYSA-N 1 2 247.302 0.845 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683402857 488157802 /nfs/dbraw/zinc/15/78/02/488157802.db2.gz ZPRQHBXKRXJKDO-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO CCn1cc(C[NH2+]Cc2cccc(OC)n2)nn1 ZINC000404488427 488163622 /nfs/dbraw/zinc/16/36/22/488163622.db2.gz FHBNSRQDKALWEY-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CC(C)(CCO)NC(=O)CCCn1cc[nH+]c1 ZINC000677946067 488163742 /nfs/dbraw/zinc/16/37/42/488163742.db2.gz VPDNSVOZJZNJGO-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CCn1cc(CNc2cc(C)[nH+]cn2)nn1 ZINC000404517838 488167409 /nfs/dbraw/zinc/16/74/09/488167409.db2.gz XTLZVXKPCHDOOW-UHFFFAOYSA-N 1 2 218.264 0.430 20 0 BCADLO CC(C)[C@](C)([NH2+]Cc1ccn[nH]1)C(N)=O ZINC000380051472 488170432 /nfs/dbraw/zinc/17/04/32/488170432.db2.gz XENOCNSXYFKKLC-JTQLQIEISA-N 1 2 210.281 0.399 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000683485365 488174455 /nfs/dbraw/zinc/17/44/55/488174455.db2.gz QRQAJQFFZLYAGE-DTWKUNHWSA-N 1 2 238.291 0.397 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCn2ncnc2C1 ZINC000667997906 488179400 /nfs/dbraw/zinc/17/94/00/488179400.db2.gz GBBKFWLOVTYDHZ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1nccc1C[N@H+]1CCn2ncnc2C1 ZINC000667997906 488179402 /nfs/dbraw/zinc/17/94/02/488179402.db2.gz GBBKFWLOVTYDHZ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO c1nc2n(n1)CC[N@@H+](Cc1cnn3c1CCC3)C2 ZINC000667998070 488179478 /nfs/dbraw/zinc/17/94/78/488179478.db2.gz MCZLZWLHEZNVDV-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO c1nc2n(n1)CC[N@H+](Cc1cnn3c1CCC3)C2 ZINC000667998070 488179481 /nfs/dbraw/zinc/17/94/81/488179481.db2.gz MCZLZWLHEZNVDV-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO COCc1nc(C[NH2+][C@H](CO)C(C)(C)C)no1 ZINC000683524421 488184953 /nfs/dbraw/zinc/18/49/53/488184953.db2.gz HFRAZKGDEPAAQT-MRVPVSSYSA-N 1 2 243.307 0.713 20 0 BCADLO COC1(C)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000678060064 488189833 /nfs/dbraw/zinc/18/98/33/488189833.db2.gz XCNQZFNHZUFQME-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H](c1ccncc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000678082596 488192929 /nfs/dbraw/zinc/19/29/29/488192929.db2.gz SUICIILFWYXRHA-LLVKDONJSA-N 1 2 249.314 0.279 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000668111976 488205133 /nfs/dbraw/zinc/20/51/33/488205133.db2.gz AZQYBKHFUGQGFR-GFCCVEGCSA-N 1 2 239.294 0.736 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000668111976 488205137 /nfs/dbraw/zinc/20/51/37/488205137.db2.gz AZQYBKHFUGQGFR-GFCCVEGCSA-N 1 2 239.294 0.736 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cn(C)nc1C ZINC000678193102 488215661 /nfs/dbraw/zinc/21/56/61/488215661.db2.gz VYMYALGEHKGNDF-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cn(C)nc1C ZINC000678193102 488215664 /nfs/dbraw/zinc/21/56/64/488215664.db2.gz VYMYALGEHKGNDF-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H]1COC ZINC000683782561 488220471 /nfs/dbraw/zinc/22/04/71/488220471.db2.gz UEDBRDYXRPVMBN-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H]1COC ZINC000683782561 488220474 /nfs/dbraw/zinc/22/04/74/488220474.db2.gz UEDBRDYXRPVMBN-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678238512 488223460 /nfs/dbraw/zinc/22/34/60/488223460.db2.gz ZGXPMVBEFNDTBN-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678238512 488223462 /nfs/dbraw/zinc/22/34/62/488223462.db2.gz ZGXPMVBEFNDTBN-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000668207122 488225314 /nfs/dbraw/zinc/22/53/14/488225314.db2.gz CQQXUWCPEWRMKK-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000668207122 488225317 /nfs/dbraw/zinc/22/53/17/488225317.db2.gz CQQXUWCPEWRMKK-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCOC[C@@H](O)C1 ZINC000668207122 488225319 /nfs/dbraw/zinc/22/53/19/488225319.db2.gz CQQXUWCPEWRMKK-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO Cc1nnc(NC(=O)C2([NH+](C)C)CC2)[nH]1 ZINC000668210195 488225837 /nfs/dbraw/zinc/22/58/37/488225837.db2.gz WEBFNBVMJXPPCB-UHFFFAOYSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1nc(NC(=O)C2([NH+](C)C)CC2)n[nH]1 ZINC000668210195 488225839 /nfs/dbraw/zinc/22/58/39/488225839.db2.gz WEBFNBVMJXPPCB-UHFFFAOYSA-N 1 2 209.253 0.146 20 0 BCADLO Cn1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)cn1 ZINC000678264462 488229449 /nfs/dbraw/zinc/22/94/49/488229449.db2.gz IXEHTROVTJJKRC-UHFFFAOYSA-N 1 2 246.318 0.465 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000668220459 488230040 /nfs/dbraw/zinc/23/00/40/488230040.db2.gz QVKVLIYMQDGMGB-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO CCCn1nccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000668220459 488230042 /nfs/dbraw/zinc/23/00/42/488230042.db2.gz QVKVLIYMQDGMGB-LLVKDONJSA-N 1 2 236.319 0.743 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2=CCCOC2)[nH]1 ZINC000678272595 488233990 /nfs/dbraw/zinc/23/39/90/488233990.db2.gz DIDLBQXBWQYEGB-UHFFFAOYSA-N 1 2 222.292 0.892 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2=CCCOC2)[nH]1 ZINC000678272595 488233992 /nfs/dbraw/zinc/23/39/92/488233992.db2.gz DIDLBQXBWQYEGB-UHFFFAOYSA-N 1 2 222.292 0.892 20 0 BCADLO CN(Cc1c[nH+]cn1C)Cc1ncc[nH]1 ZINC000683888910 488237193 /nfs/dbraw/zinc/23/71/93/488237193.db2.gz FSNZUAKOZVQNOS-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000678296780 488237903 /nfs/dbraw/zinc/23/79/03/488237903.db2.gz AEYNVHAREWKPEP-OCAPTIKFSA-N 1 2 231.679 0.861 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)o2)C1 ZINC000678296780 488237904 /nfs/dbraw/zinc/23/79/04/488237904.db2.gz AEYNVHAREWKPEP-OCAPTIKFSA-N 1 2 231.679 0.861 20 0 BCADLO COc1ccc(C[NH+]2CC(C)(O)C2)cn1 ZINC000683895738 488238333 /nfs/dbraw/zinc/23/83/33/488238333.db2.gz DVWURKXOSWLIFM-UHFFFAOYSA-N 1 2 208.261 0.657 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000683897678 488239491 /nfs/dbraw/zinc/23/94/91/488239491.db2.gz FKBMWCFUJPACOG-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO CCNC(=O)CN(CC)Cc1cn(C)c[nH+]1 ZINC000683897277 488239630 /nfs/dbraw/zinc/23/96/30/488239630.db2.gz WPLUNCHJFVXIAF-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnns1 ZINC000672158259 488240150 /nfs/dbraw/zinc/24/01/50/488240150.db2.gz UQKJHKTXVUVDKE-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CCOCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145429 488240723 /nfs/dbraw/zinc/24/07/23/488240723.db2.gz HSSUVECMGBZEEE-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147380 488240743 /nfs/dbraw/zinc/24/07/43/488240743.db2.gz MDYPODIARMACRF-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145430 488240940 /nfs/dbraw/zinc/24/09/40/488240940.db2.gz HSSUVECMGBZEEE-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1cn(C)c[nH+]1 ZINC000683898787 488241244 /nfs/dbraw/zinc/24/12/44/488241244.db2.gz NRYPVZUPAXPUSV-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672149829 488241890 /nfs/dbraw/zinc/24/18/90/488241890.db2.gz YMPOJGJKCICFPD-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CO1 ZINC000672149894 488241966 /nfs/dbraw/zinc/24/19/66/488241966.db2.gz ZWFNNGFJZCWPQG-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCOC1 ZINC000672154892 488242531 /nfs/dbraw/zinc/24/25/31/488242531.db2.gz PANNNZJFTZNEED-VHSXEESVSA-N 1 2 235.287 0.351 20 0 BCADLO COCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672156479 488242565 /nfs/dbraw/zinc/24/25/65/488242565.db2.gz MIFVAJMBVUHCGB-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154503 488242674 /nfs/dbraw/zinc/24/26/74/488242674.db2.gz NRYUGXMGHZODJK-MWLCHTKSSA-N 1 2 237.303 0.331 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cncnc1 ZINC000672155005 488242692 /nfs/dbraw/zinc/24/26/92/488242692.db2.gz VTXDXXVPGCRGBY-SNVBAGLBSA-N 1 2 243.270 0.418 20 0 BCADLO Cn1cnnc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000683919390 488244589 /nfs/dbraw/zinc/24/45/89/488244589.db2.gz JFOWYFFHYQYBQY-UHFFFAOYSA-N 1 2 234.263 0.455 20 0 BCADLO Cn1cnnc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000683919390 488244590 /nfs/dbraw/zinc/24/45/90/488244590.db2.gz JFOWYFFHYQYBQY-UHFFFAOYSA-N 1 2 234.263 0.455 20 0 BCADLO Cc1cn2c([nH+]1)CN(c1nnc(C)o1)CC2 ZINC000672250019 488247953 /nfs/dbraw/zinc/24/79/53/488247953.db2.gz WBJCUVJHQBLYSJ-UHFFFAOYSA-N 1 2 219.248 0.903 20 0 BCADLO O=C1C[C@]2(CC[N@@H+](CC(F)F)C2)CN1 ZINC000684004917 488254888 /nfs/dbraw/zinc/25/48/88/488254888.db2.gz GSKOWMPQTOSYDF-SECBINFHSA-N 1 2 204.220 0.464 20 0 BCADLO O=C1C[C@]2(CC[N@H+](CC(F)F)C2)CN1 ZINC000684004917 488254889 /nfs/dbraw/zinc/25/48/89/488254889.db2.gz GSKOWMPQTOSYDF-SECBINFHSA-N 1 2 204.220 0.464 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC[C@H]1CCCO1 ZINC000672724531 488264619 /nfs/dbraw/zinc/26/46/19/488264619.db2.gz PRARXRCYZUYHRX-LLVKDONJSA-N 1 2 237.303 0.648 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000672951402 488269952 /nfs/dbraw/zinc/26/99/52/488269952.db2.gz QHXJWJVAEVAFAM-AOOOYVTPSA-N 1 2 235.287 0.732 20 0 BCADLO NC(=O)[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678789032 488283270 /nfs/dbraw/zinc/28/32/70/488283270.db2.gz SGMDAIIPSSLXOZ-MRVPVSSYSA-N 1 2 223.251 0.922 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccn(C(F)F)n1 ZINC000678839280 488290379 /nfs/dbraw/zinc/29/03/79/488290379.db2.gz TYTSGIKPXUXUHD-UHFFFAOYSA-N 1 2 241.201 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccn(C)n1 ZINC000678891501 488293869 /nfs/dbraw/zinc/29/38/69/488293869.db2.gz HZSQUVADIAONBQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccn(C)n1 ZINC000678891501 488293872 /nfs/dbraw/zinc/29/38/72/488293872.db2.gz HZSQUVADIAONBQ-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1 ZINC000673605625 488297168 /nfs/dbraw/zinc/29/71/68/488297168.db2.gz JBGRKLPPABQJCW-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CCCO1 ZINC000673634153 488299279 /nfs/dbraw/zinc/29/92/79/488299279.db2.gz HTJBKSWWEFMLDT-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO NC(=O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673669093 488302551 /nfs/dbraw/zinc/30/25/51/488302551.db2.gz VIBCQXGBCDRAEM-UHFFFAOYSA-N 1 2 218.216 0.148 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC000673677304 488302856 /nfs/dbraw/zinc/30/28/56/488302856.db2.gz BNJBZSDZIVBVRM-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000673677304 488302859 /nfs/dbraw/zinc/30/28/59/488302859.db2.gz BNJBZSDZIVBVRM-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)O ZINC000673687586 488303826 /nfs/dbraw/zinc/30/38/26/488303826.db2.gz QCFSXKPMFPMHBP-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO Cc1cccn2cc(CCNC(N)=O)[nH+]c12 ZINC000673792917 488307114 /nfs/dbraw/zinc/30/71/14/488307114.db2.gz XNIVZKLMNMHQQW-UHFFFAOYSA-N 1 2 218.260 0.854 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1cnoc1 ZINC000684423357 488310740 /nfs/dbraw/zinc/31/07/40/488310740.db2.gz FSSSIJBORDAFQQ-UHFFFAOYSA-N 1 2 220.232 0.979 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)CO ZINC000684463781 488316851 /nfs/dbraw/zinc/31/68/51/488316851.db2.gz DUFALXMKLPTPSJ-UHFFFAOYSA-N 1 2 239.319 0.487 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1F ZINC000679224761 488321005 /nfs/dbraw/zinc/32/10/05/488321005.db2.gz PILODKOSEXJOKM-QWRGUYRKSA-N 1 2 244.310 0.525 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1F ZINC000679224761 488321006 /nfs/dbraw/zinc/32/10/06/488321006.db2.gz PILODKOSEXJOKM-QWRGUYRKSA-N 1 2 244.310 0.525 20 0 BCADLO O[C@@H]1CN(Cc2c[nH+]c[nH]2)CC(F)(F)C1 ZINC000684620791 488334257 /nfs/dbraw/zinc/33/42/57/488334257.db2.gz YWDVKBXOGLUWSS-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO O[C@@H]1CN(Cc2c[nH]c[nH+]2)CC(F)(F)C1 ZINC000684620791 488334259 /nfs/dbraw/zinc/33/42/59/488334259.db2.gz YWDVKBXOGLUWSS-QMMMGPOBSA-N 1 2 217.219 0.612 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000679647127 488362377 /nfs/dbraw/zinc/36/23/77/488362377.db2.gz FWAJDWQAOZVWJM-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CC(C)(CO)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000679824883 488366982 /nfs/dbraw/zinc/36/69/82/488366982.db2.gz IDWSDFIIFLKJBO-UHFFFAOYSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nc(NC[C@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000413345073 490101562 /nfs/dbraw/zinc/10/15/62/490101562.db2.gz SWNBOPNJOMGLGF-NSHDSACASA-N 1 2 220.276 0.866 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC=CCC2)n(C)n1 ZINC000679322207 490113364 /nfs/dbraw/zinc/11/33/64/490113364.db2.gz VPGSOKSRUJLEQH-UHFFFAOYSA-N 1 2 234.303 0.929 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC=CCC2)n(C)n1 ZINC000679322207 490113369 /nfs/dbraw/zinc/11/33/69/490113369.db2.gz VPGSOKSRUJLEQH-UHFFFAOYSA-N 1 2 234.303 0.929 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653888315 490154543 /nfs/dbraw/zinc/15/45/43/490154543.db2.gz NDEUKJIYLMIRRY-SECBINFHSA-N 1 2 213.281 0.971 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653888315 490154550 /nfs/dbraw/zinc/15/45/50/490154550.db2.gz NDEUKJIYLMIRRY-SECBINFHSA-N 1 2 213.281 0.971 20 0 BCADLO C[C@@H](CNC(=O)NCC1CC1)[NH+]1CCOCC1 ZINC000048463692 490185701 /nfs/dbraw/zinc/18/57/01/490185701.db2.gz ZLEFVBLTCAJRMY-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NCc1cc[nH]n1 ZINC000048730755 490190129 /nfs/dbraw/zinc/19/01/29/490190129.db2.gz DLJADFLTQMTFKC-UHFFFAOYSA-N 1 2 248.290 0.496 20 0 BCADLO CCNC(=O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC000675548486 490192340 /nfs/dbraw/zinc/19/23/40/490192340.db2.gz QNPVSQMKVDPFHR-UHFFFAOYSA-N 1 2 236.319 0.974 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2CCCn3nccc32)[nH]1 ZINC000640219720 490197527 /nfs/dbraw/zinc/19/75/27/490197527.db2.gz HCCRCXAHMGOARI-SECBINFHSA-N 1 2 232.291 0.934 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000668452472 490248863 /nfs/dbraw/zinc/24/88/63/490248863.db2.gz UMWBDVZEXFUYHR-LLVKDONJSA-N 1 2 246.318 0.832 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000668452472 490248870 /nfs/dbraw/zinc/24/88/70/490248870.db2.gz UMWBDVZEXFUYHR-LLVKDONJSA-N 1 2 246.318 0.832 20 0 BCADLO CCn1ncnc1C[NH2+][C@H](C)C(=O)NC(C)C ZINC000229009938 490318389 /nfs/dbraw/zinc/31/83/89/490318389.db2.gz QHGPEHHDMDKRNW-SECBINFHSA-N 1 2 239.323 0.301 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)N1CCCC1 ZINC000335124764 490389133 /nfs/dbraw/zinc/38/91/33/490389133.db2.gz KFWCEXHWNKJPMS-VXGBXAGGSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)N1CCCC1 ZINC000335124764 490389139 /nfs/dbraw/zinc/38/91/39/490389139.db2.gz KFWCEXHWNKJPMS-VXGBXAGGSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079767540 490461102 /nfs/dbraw/zinc/46/11/02/490461102.db2.gz HNHXTSHZWHZISA-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079767540 490461107 /nfs/dbraw/zinc/46/11/07/490461107.db2.gz HNHXTSHZWHZISA-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1cc(NC(=O)CN2CCOCC2)cc[nH+]1 ZINC000074693542 490497211 /nfs/dbraw/zinc/49/72/11/490497211.db2.gz GYIMPHFNOBSHKM-UHFFFAOYSA-N 1 2 235.287 0.661 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1(O)CCC1 ZINC000408321884 490512399 /nfs/dbraw/zinc/51/23/99/490512399.db2.gz RYQBZWFXDVDWKN-UHFFFAOYSA-N 1 2 209.249 0.249 20 0 BCADLO COCc1nc(C[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000305857381 490622628 /nfs/dbraw/zinc/62/26/28/490622628.db2.gz LAEIPVRBOFVCFR-VIFPVBQESA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000305857381 490622634 /nfs/dbraw/zinc/62/26/34/490622634.db2.gz LAEIPVRBOFVCFR-VIFPVBQESA-N 1 2 241.291 0.419 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)Nc1cc[nH]n1 ZINC000670079652 491081271 /nfs/dbraw/zinc/08/12/71/491081271.db2.gz JDJGUDMNNKCYBP-UHFFFAOYSA-N 1 2 246.274 0.937 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@H](C)O1 ZINC000062339201 491083619 /nfs/dbraw/zinc/08/36/19/491083619.db2.gz YIZSLTNSQFBUHH-OCAPTIKFSA-N 1 2 237.307 0.250 20 0 BCADLO Cn1ncnc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000226811555 491098034 /nfs/dbraw/zinc/09/80/34/491098034.db2.gz HTWLTXYXCMWQES-CYBMUJFWSA-N 1 2 246.314 0.812 20 0 BCADLO CCOC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091541726 491130966 /nfs/dbraw/zinc/13/09/66/491130966.db2.gz PFQDBMOOXIWRDR-UHFFFAOYSA-N 1 2 226.280 0.099 20 0 BCADLO CCc1cc(NCCn2ncnn2)nc[nH+]1 ZINC000309422572 491149043 /nfs/dbraw/zinc/14/90/43/491149043.db2.gz DWBNHBXSYGXLOL-UHFFFAOYSA-N 1 2 219.252 0.138 20 0 BCADLO COCC[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000309629277 491153149 /nfs/dbraw/zinc/15/31/49/491153149.db2.gz HFIZHTOVTRZLOX-PSASIEDQSA-N 1 2 227.308 0.766 20 0 BCADLO Cc1nsc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000309822893 491157359 /nfs/dbraw/zinc/15/73/59/491157359.db2.gz WSRYXBKVVGKZFJ-CBAPKCEASA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nsc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000309822893 491157360 /nfs/dbraw/zinc/15/73/60/491157360.db2.gz WSRYXBKVVGKZFJ-CBAPKCEASA-N 1 2 242.348 0.978 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CCO)C1 ZINC000310121139 491160448 /nfs/dbraw/zinc/16/04/48/491160448.db2.gz ADGLKLRLNYEUQF-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000493211685 533794193 /nfs/dbraw/zinc/79/41/93/533794193.db2.gz RADTXQOGIWQWEK-QIBSRJKCSA-N 1 2 237.390 0.163 20 0 BCADLO CSC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000493211685 533794200 /nfs/dbraw/zinc/79/42/00/533794200.db2.gz RADTXQOGIWQWEK-QIBSRJKCSA-N 1 2 237.390 0.163 20 0 BCADLO CC[NH+]1CCN(C(=O)C2(C(C)=O)CC2)CC1 ZINC000335927028 535610368 /nfs/dbraw/zinc/61/03/68/535610368.db2.gz DQYGTRHOHKCJBF-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO COC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000496665299 534006754 /nfs/dbraw/zinc/00/67/54/534006754.db2.gz SDIGRKWMVWAHOP-SECBINFHSA-N 1 2 214.265 0.159 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775597 534099681 /nfs/dbraw/zinc/09/96/81/534099681.db2.gz YHFJNWWRGNJDJC-FBFNWGNUSA-N 1 2 223.276 0.699 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000494118848 534142852 /nfs/dbraw/zinc/14/28/52/534142852.db2.gz CNSZWFYOYWALGA-ZETCQYMHSA-N 1 2 240.263 0.113 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ncc[nH]1 ZINC000493706358 534271372 /nfs/dbraw/zinc/27/13/72/534271372.db2.gz LXMQNCWDGXUKDW-PBKGFPTLSA-N 1 2 245.286 0.824 20 0 BCADLO OCCC[N@@H+](CCO)Cc1nccn1C1CC1 ZINC000892019904 582762873 /nfs/dbraw/zinc/76/28/73/582762873.db2.gz QDXLQOZVFNSVAI-UHFFFAOYSA-N 1 2 239.319 0.395 20 0 BCADLO Cc1noc(CCNC(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000493524400 534401311 /nfs/dbraw/zinc/40/13/11/534401311.db2.gz MIQDVOWDAIPPLH-NSCUHMNNSA-N 1 2 247.258 0.473 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000892240052 582811780 /nfs/dbraw/zinc/81/17/80/582811780.db2.gz CNPBDALJBPWVBY-NSHDSACASA-N 1 2 236.319 0.532 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000892240052 582811782 /nfs/dbraw/zinc/81/17/82/582811782.db2.gz CNPBDALJBPWVBY-NSHDSACASA-N 1 2 236.319 0.532 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCF ZINC000352097032 536347635 /nfs/dbraw/zinc/34/76/35/536347635.db2.gz MJJKCPBABGHWII-VIFPVBQESA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCF ZINC000352097032 536347638 /nfs/dbraw/zinc/34/76/38/536347638.db2.gz MJJKCPBABGHWII-VIFPVBQESA-N 1 2 246.282 0.100 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1cc(C)on1)C(C)C ZINC000183670226 536353901 /nfs/dbraw/zinc/35/39/01/536353901.db2.gz HIFYCNMYRDDJIL-JTQLQIEISA-N 1 2 225.292 0.843 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000334359448 534578613 /nfs/dbraw/zinc/57/86/13/534578613.db2.gz WCRVUCYDLSUUKC-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000334359448 534578622 /nfs/dbraw/zinc/57/86/22/534578622.db2.gz WCRVUCYDLSUUKC-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000334359448 534578633 /nfs/dbraw/zinc/57/86/33/534578633.db2.gz WCRVUCYDLSUUKC-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000179307431 534662898 /nfs/dbraw/zinc/66/28/98/534662898.db2.gz OBGQPVYAPBHSQY-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000179307431 534662903 /nfs/dbraw/zinc/66/29/03/534662903.db2.gz OBGQPVYAPBHSQY-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000179307431 534662907 /nfs/dbraw/zinc/66/29/07/534662907.db2.gz OBGQPVYAPBHSQY-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000179307431 534662914 /nfs/dbraw/zinc/66/29/14/534662914.db2.gz OBGQPVYAPBHSQY-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cnccn1 ZINC000492085988 534718927 /nfs/dbraw/zinc/71/89/27/534718927.db2.gz MWPYDLFICCEUOD-NSCUHMNNSA-N 1 2 243.270 0.838 20 0 BCADLO Cn1c(C[N@H+](C)CCO)nnc1C1CCC1 ZINC000181076907 536392288 /nfs/dbraw/zinc/39/22/88/536392288.db2.gz XKIYNLBUGLGJMP-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO Cn1c(C[N@@H+](C)CCO)nnc1C1CCC1 ZINC000181076907 536392291 /nfs/dbraw/zinc/39/22/91/536392291.db2.gz XKIYNLBUGLGJMP-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(CC2CC2)CC1 ZINC000347746761 534788853 /nfs/dbraw/zinc/78/88/53/534788853.db2.gz DDWQLJFBHCSNKK-ZDUSSCGKSA-N 1 2 240.347 0.354 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOCC12CC2 ZINC000493600481 534786721 /nfs/dbraw/zinc/78/67/21/534786721.db2.gz XSOYBLHPYACXAG-OWOJBTEDSA-N 1 2 233.271 0.814 20 0 BCADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCc2n[nH]nc2C1 ZINC000493100408 534786834 /nfs/dbraw/zinc/78/68/34/534786834.db2.gz AUYLJQZUHQGWQG-OWOJBTEDSA-N 1 2 244.258 0.126 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)CC1CC1 ZINC000492858728 534801362 /nfs/dbraw/zinc/80/13/62/534801362.db2.gz FYYXTTGWCDRVOX-ARJAWSKDSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)C1CCC1 ZINC000492767194 534801410 /nfs/dbraw/zinc/80/14/10/534801410.db2.gz NRNAUUYNNMRYKQ-PLNGDYQASA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC(F)F ZINC000492891411 534802919 /nfs/dbraw/zinc/80/29/19/534802919.db2.gz CWHIKUDEUOAFRS-UPHRSURJSA-N 1 2 217.175 0.736 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)CC(F)F ZINC000492820246 534803070 /nfs/dbraw/zinc/80/30/70/534803070.db2.gz ATHACEQNKYANJU-JQSQLHRZSA-N 1 2 245.229 0.555 20 0 BCADLO O=C1OCC[C@H]2C[N@H+](Cc3cncnc3)CCN12 ZINC000494362589 534814930 /nfs/dbraw/zinc/81/49/30/534814930.db2.gz IHHFJDLWKGCMCV-NSHDSACASA-N 1 2 248.286 0.503 20 0 BCADLO O=C1OCC[C@H]2C[N@@H+](Cc3cncnc3)CCN12 ZINC000494362589 534814934 /nfs/dbraw/zinc/81/49/34/534814934.db2.gz IHHFJDLWKGCMCV-NSHDSACASA-N 1 2 248.286 0.503 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCO ZINC000175521597 534913903 /nfs/dbraw/zinc/91/39/03/534913903.db2.gz ULCBJYKGAAEPAJ-UHFFFAOYSA-N 1 2 240.307 0.331 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493090656 526452809 /nfs/dbraw/zinc/45/28/09/526452809.db2.gz XRQNHBGBALJIJW-RTMURIBGSA-N 1 2 221.260 0.907 20 0 BCADLO CC(C)(CC(N)=O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493776124 526980338 /nfs/dbraw/zinc/98/03/38/526980338.db2.gz JMKMOEJPEZSMRA-ONEGZZNKSA-N 1 2 236.275 0.193 20 0 BCADLO COCCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000351477147 536513188 /nfs/dbraw/zinc/51/31/88/536513188.db2.gz MLNWOPFSAPXMSP-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO COCCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351477147 536513192 /nfs/dbraw/zinc/51/31/92/536513192.db2.gz MLNWOPFSAPXMSP-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CC(C)OCCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493379328 527983916 /nfs/dbraw/zinc/98/39/16/527983916.db2.gz DIXWJXUOJGHHPE-ONEGZZNKSA-N 1 2 239.275 0.896 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnc(C)cn1 ZINC000505597304 528082862 /nfs/dbraw/zinc/08/28/62/528082862.db2.gz QDSCSOQYSWAJEC-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnc(C)cn1 ZINC000505597304 528082870 /nfs/dbraw/zinc/08/28/70/528082870.db2.gz QDSCSOQYSWAJEC-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308707115 528172157 /nfs/dbraw/zinc/17/21/57/528172157.db2.gz JBTTZYNBIMLREH-UHFFFAOYSA-N 1 2 229.324 0.416 20 0 BCADLO CCC[C@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493767304 528248450 /nfs/dbraw/zinc/24/84/50/528248450.db2.gz AXLIFCBRKPRPEQ-MOVJSRMASA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493449278 528431720 /nfs/dbraw/zinc/43/17/20/528431720.db2.gz JYJUGJPJEKIYPF-HMDXOVGESA-N 1 2 237.303 0.946 20 0 BCADLO CCOC(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493692885 528731437 /nfs/dbraw/zinc/73/14/37/528731437.db2.gz MNRDIRGZSRDRQL-ARJAWSKDSA-N 1 2 237.259 0.492 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](OC)C1CC1 ZINC000400236923 528789316 /nfs/dbraw/zinc/78/93/16/528789316.db2.gz IVXSASHBAMLLIS-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)C1CC1 ZINC000400236923 528789320 /nfs/dbraw/zinc/78/93/20/528789320.db2.gz IVXSASHBAMLLIS-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO C[C@H](O)c1cccc(NCC[S@](C)=O)[nH+]1 ZINC000892571924 582917364 /nfs/dbraw/zinc/91/73/64/582917364.db2.gz RVOVRDGGVVWRLM-AYVTZFPOSA-N 1 2 228.317 0.925 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)CSC ZINC000494805932 528866866 /nfs/dbraw/zinc/86/68/66/528866866.db2.gz XHNMIYQAMRCQPI-SNVBAGLBSA-N 1 2 244.364 0.361 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)CSC ZINC000494805932 528866867 /nfs/dbraw/zinc/86/68/67/528866867.db2.gz XHNMIYQAMRCQPI-SNVBAGLBSA-N 1 2 244.364 0.361 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC000493743161 528911365 /nfs/dbraw/zinc/91/13/65/528911365.db2.gz VFZGHYBBBUQACQ-XOULXFPDSA-N 1 2 248.286 0.160 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1COC1 ZINC000493720681 528911390 /nfs/dbraw/zinc/91/13/90/528911390.db2.gz JZMKDAUZEXTDRF-ARJAWSKDSA-N 1 2 221.260 0.670 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493511365 528983543 /nfs/dbraw/zinc/98/35/43/528983543.db2.gz DYMIVGZPYDQCJB-BYCRGOAPSA-N 1 2 237.303 0.946 20 0 BCADLO CC1(C)CN(C[N@@H+]2CCCOCC2)C(=O)O1 ZINC000494059324 529121365 /nfs/dbraw/zinc/12/13/65/529121365.db2.gz QYZGICMVGDXAMA-UHFFFAOYSA-N 1 2 228.292 0.897 20 0 BCADLO CC1(C)CN(C[N@H+]2CCCOCC2)C(=O)O1 ZINC000494059324 529121367 /nfs/dbraw/zinc/12/13/67/529121367.db2.gz QYZGICMVGDXAMA-UHFFFAOYSA-N 1 2 228.292 0.897 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493163790 529132948 /nfs/dbraw/zinc/13/29/48/529132948.db2.gz VXIMYORLDXJIAS-NWALNABHSA-N 1 2 235.287 0.964 20 0 BCADLO CC(C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308715711 529136578 /nfs/dbraw/zinc/13/65/78/529136578.db2.gz PVLKGXMEZQYGKP-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493720025 529328543 /nfs/dbraw/zinc/32/85/43/529328543.db2.gz PRKSQBIPBGUYLR-CDAZIORVSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871320 529328558 /nfs/dbraw/zinc/32/85/58/529328558.db2.gz XIZHMMCVTZJDGE-CDAZIORVSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493228683 529337659 /nfs/dbraw/zinc/33/76/59/529337659.db2.gz SOPLUXZJOCRGHB-XNPJLODASA-N 1 2 223.276 0.964 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178615478 534923662 /nfs/dbraw/zinc/92/36/62/534923662.db2.gz WWCIYYXPXVISFP-RYUDHWBXSA-N 1 2 239.363 0.395 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000170643876 534973268 /nfs/dbraw/zinc/97/32/68/534973268.db2.gz NKECSHLKDZCDAL-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CO)n1C ZINC000170643876 534973272 /nfs/dbraw/zinc/97/32/72/534973272.db2.gz NKECSHLKDZCDAL-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000351095483 535263764 /nfs/dbraw/zinc/26/37/64/535263764.db2.gz FGEYWDQTCIJGRA-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000351095483 535263765 /nfs/dbraw/zinc/26/37/65/535263765.db2.gz FGEYWDQTCIJGRA-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335557060 535291315 /nfs/dbraw/zinc/29/13/15/535291315.db2.gz DKMYXVJNYKZBFO-JTQLQIEISA-N 1 2 219.288 0.924 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000252696116 535432592 /nfs/dbraw/zinc/43/25/92/535432592.db2.gz MXRGFAYUBNYATA-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000252696116 535432595 /nfs/dbraw/zinc/43/25/95/535432595.db2.gz MXRGFAYUBNYATA-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348809439 535585948 /nfs/dbraw/zinc/58/59/48/535585948.db2.gz OPNWPRJQLKVBJO-MNOVXSKESA-N 1 2 242.367 0.330 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348809439 535585950 /nfs/dbraw/zinc/58/59/50/535585950.db2.gz OPNWPRJQLKVBJO-MNOVXSKESA-N 1 2 242.367 0.330 20 0 BCADLO CCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000183085272 535601243 /nfs/dbraw/zinc/60/12/43/535601243.db2.gz BPBZTDSFOYCLKM-UHFFFAOYSA-N 1 2 247.302 0.989 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)[C@H](C)CO ZINC000252874720 535649846 /nfs/dbraw/zinc/64/98/46/535649846.db2.gz WFZLFTAWGOVYKB-BBBLOLIVSA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000175003074 535672890 /nfs/dbraw/zinc/67/28/90/535672890.db2.gz ZQIRQQBTUNFGOH-UHFFFAOYSA-N 1 2 242.319 0.398 20 0 BCADLO CCOC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000225912775 535673826 /nfs/dbraw/zinc/67/38/26/535673826.db2.gz MDUYZHXWRPKNBV-SECBINFHSA-N 1 2 215.293 0.642 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)OC ZINC000342406422 535757177 /nfs/dbraw/zinc/75/71/77/535757177.db2.gz WSNCRCISCJOEEX-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)OC ZINC000342406422 535757182 /nfs/dbraw/zinc/75/71/82/535757182.db2.gz WSNCRCISCJOEEX-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000029524517 535870903 /nfs/dbraw/zinc/87/09/03/535870903.db2.gz YIJCQBNVOYIPGI-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000308781442 535894076 /nfs/dbraw/zinc/89/40/76/535894076.db2.gz IOKYKCKHIPNNJO-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000308781442 535894079 /nfs/dbraw/zinc/89/40/79/535894079.db2.gz IOKYKCKHIPNNJO-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183678475 535994920 /nfs/dbraw/zinc/99/49/20/535994920.db2.gz WSJQNXHQUCJWBV-GUBZILKMSA-N 1 2 217.309 0.935 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351953005 536139582 /nfs/dbraw/zinc/13/95/82/536139582.db2.gz ZYBFGTODQZVNDU-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351953005 536139585 /nfs/dbraw/zinc/13/95/85/536139585.db2.gz ZYBFGTODQZVNDU-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@H](C)F ZINC000352096261 536314504 /nfs/dbraw/zinc/31/45/04/536314504.db2.gz DMPGXRBNFHDOPA-DTWKUNHWSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](C)F ZINC000352096261 536314507 /nfs/dbraw/zinc/31/45/07/536314507.db2.gz DMPGXRBNFHDOPA-DTWKUNHWSA-N 1 2 246.282 0.098 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782631228 582928716 /nfs/dbraw/zinc/92/87/16/582928716.db2.gz FRUYXECFYYCWAA-SCZZXKLOSA-N 1 2 209.249 0.192 20 0 BCADLO Cc1noc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782631228 582928718 /nfs/dbraw/zinc/92/87/18/582928718.db2.gz FRUYXECFYYCWAA-SCZZXKLOSA-N 1 2 209.249 0.192 20 0 BCADLO COC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335551612 536582545 /nfs/dbraw/zinc/58/25/45/536582545.db2.gz ALHAUXFSANMDKB-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250910209 536638417 /nfs/dbraw/zinc/63/84/17/536638417.db2.gz UJIQYLLJCQXKQX-SGIHWFKDSA-N 1 2 227.304 0.951 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)CC2)ccn1 ZINC000367116646 536761669 /nfs/dbraw/zinc/76/16/69/536761669.db2.gz GAJRFIRFRORURA-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)CC2)ccn1 ZINC000367116646 536761671 /nfs/dbraw/zinc/76/16/71/536761671.db2.gz GAJRFIRFRORURA-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2csnn2)[C@H]1C ZINC000347281852 536808614 /nfs/dbraw/zinc/80/86/14/536808614.db2.gz WGWRLOLXPXKEHY-CBAPKCEASA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2csnn2)[C@H]1C ZINC000347281852 536808619 /nfs/dbraw/zinc/80/86/19/536808619.db2.gz WGWRLOLXPXKEHY-CBAPKCEASA-N 1 2 241.316 0.922 20 0 BCADLO COC[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171530160 536829874 /nfs/dbraw/zinc/82/98/74/536829874.db2.gz RVEPBWVNMLBUDG-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO CO[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000168553664 536857304 /nfs/dbraw/zinc/85/73/04/536857304.db2.gz WAOYSQHNPCEETR-QMMMGPOBSA-N 1 2 211.265 0.413 20 0 BCADLO CN(C)c1cc(NCCCOCCO)[nH+]cn1 ZINC000893110647 583051109 /nfs/dbraw/zinc/05/11/09/583051109.db2.gz OEYGHFVOYICOQK-UHFFFAOYSA-N 1 2 240.307 0.354 20 0 BCADLO CN(C)c1cc(NCCCOCCO)nc[nH+]1 ZINC000893110647 583051111 /nfs/dbraw/zinc/05/11/11/583051111.db2.gz OEYGHFVOYICOQK-UHFFFAOYSA-N 1 2 240.307 0.354 20 0 BCADLO CNc1cc(N2CC(F)(F)C[C@@H]2CO)nc[nH+]1 ZINC000893363008 583125426 /nfs/dbraw/zinc/12/54/26/583125426.db2.gz DTHRYEQQSAYSJY-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC(F)(F)C[C@@H]2CO)[nH+]cn1 ZINC000893363008 583125430 /nfs/dbraw/zinc/12/54/30/583125430.db2.gz DTHRYEQQSAYSJY-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CCn1nncc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000893556196 583163666 /nfs/dbraw/zinc/16/36/66/583163666.db2.gz OFYPDCYOHSXOSM-ABKXIKBNSA-N 1 2 244.364 0.497 20 0 BCADLO CCn1nncc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000893556196 583163668 /nfs/dbraw/zinc/16/36/68/583163668.db2.gz OFYPDCYOHSXOSM-ABKXIKBNSA-N 1 2 244.364 0.497 20 0 BCADLO CCc1cc(N[C@H](CO)[C@@H](C)O)nc(CC)[nH+]1 ZINC000894169911 583325445 /nfs/dbraw/zinc/32/54/45/583325445.db2.gz UFKJYJSCWDIAMR-PSASIEDQSA-N 1 2 239.319 0.755 20 0 BCADLO CCNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853043967 588717606 /nfs/dbraw/zinc/71/76/06/588717606.db2.gz AVZFAJZXVARTFQ-SSDOTTSWSA-N 1 2 212.322 0.965 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cnc(F)cn1 ZINC000853094510 588719391 /nfs/dbraw/zinc/71/93/91/588719391.db2.gz DPQVOHZHXUJXRX-UHFFFAOYSA-N 1 2 221.239 0.986 20 0 BCADLO CCOC[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853499224 588746167 /nfs/dbraw/zinc/74/61/67/588746167.db2.gz AJVNVTMVFVDWGB-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO CCOC[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853499224 588746168 /nfs/dbraw/zinc/74/61/68/588746168.db2.gz AJVNVTMVFVDWGB-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(=O)o1 ZINC000853500401 588746203 /nfs/dbraw/zinc/74/62/03/588746203.db2.gz JXTBHJCIFHZQMP-SFYZADRCSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(=O)o1 ZINC000853500401 588746204 /nfs/dbraw/zinc/74/62/04/588746204.db2.gz JXTBHJCIFHZQMP-SFYZADRCSA-N 1 2 211.265 0.833 20 0 BCADLO COCC[NH2+]Cc1nc(C[C@H]2CCCO2)no1 ZINC000111347579 588744334 /nfs/dbraw/zinc/74/43/34/588744334.db2.gz QYLRLKNAGUIMFP-SECBINFHSA-N 1 2 241.291 0.527 20 0 BCADLO COCC[NH2+]Cc1nc(Cc2ccccn2)no1 ZINC000111347596 588744376 /nfs/dbraw/zinc/74/43/76/588744376.db2.gz HBTCRCIUQWBGLM-UHFFFAOYSA-N 1 2 248.286 0.791 20 0 BCADLO CCC[N@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853496042 588745820 /nfs/dbraw/zinc/74/58/20/588745820.db2.gz XLSCYOJEGDPVCW-UHFFFAOYSA-N 1 2 211.265 0.977 20 0 BCADLO CCC[N@@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853496042 588745821 /nfs/dbraw/zinc/74/58/21/588745821.db2.gz XLSCYOJEGDPVCW-UHFFFAOYSA-N 1 2 211.265 0.977 20 0 BCADLO CC[N@H+](CC1CC1)Cn1nc(C)oc1=O ZINC000853494422 588745829 /nfs/dbraw/zinc/74/58/29/588745829.db2.gz CMGAPWZSGPHALX-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1nc(C)oc1=O ZINC000853494422 588745830 /nfs/dbraw/zinc/74/58/30/588745830.db2.gz CMGAPWZSGPHALX-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c(=O)o1 ZINC000853500400 588746529 /nfs/dbraw/zinc/74/65/29/588746529.db2.gz JXTBHJCIFHZQMP-JGVFFNPUSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c(=O)o1 ZINC000853500400 588746530 /nfs/dbraw/zinc/74/65/30/588746530.db2.gz JXTBHJCIFHZQMP-JGVFFNPUSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+](C)CC2CCOCC2)c(=O)o1 ZINC000853505020 588746691 /nfs/dbraw/zinc/74/66/91/588746691.db2.gz HBSIMDVUYDFCLV-UHFFFAOYSA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@@H+](C)CC2CCOCC2)c(=O)o1 ZINC000853505020 588746692 /nfs/dbraw/zinc/74/66/92/588746692.db2.gz HBSIMDVUYDFCLV-UHFFFAOYSA-N 1 2 241.291 0.461 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cn1cnnc1 ZINC000853542251 588748358 /nfs/dbraw/zinc/74/83/58/588748358.db2.gz YTBRUUPQZUHVCI-SNVBAGLBSA-N 1 2 222.292 0.879 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cn1cnnc1 ZINC000853542251 588748359 /nfs/dbraw/zinc/74/83/59/588748359.db2.gz YTBRUUPQZUHVCI-SNVBAGLBSA-N 1 2 222.292 0.879 20 0 BCADLO C[N@H+](C[C@@H]1COCCO1)Cn1cc[nH]c1=S ZINC000853559253 588748952 /nfs/dbraw/zinc/74/89/52/588748952.db2.gz YHOVUASNIHPPME-SECBINFHSA-N 1 2 243.332 0.477 20 0 BCADLO C[N@@H+](C[C@@H]1COCCO1)Cn1cc[nH]c1=S ZINC000853559253 588748953 /nfs/dbraw/zinc/74/89/53/588748953.db2.gz YHOVUASNIHPPME-SECBINFHSA-N 1 2 243.332 0.477 20 0 BCADLO COC(=O)c1ncn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000853577177 588749219 /nfs/dbraw/zinc/74/92/19/588749219.db2.gz HGCPMRSILPRWAQ-RKDXNWHRSA-N 1 2 236.275 0.364 20 0 BCADLO COC(=O)c1ncn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000853577177 588749220 /nfs/dbraw/zinc/74/92/20/588749220.db2.gz HGCPMRSILPRWAQ-RKDXNWHRSA-N 1 2 236.275 0.364 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC3(COC3)C2)c1=S ZINC000853595799 588750153 /nfs/dbraw/zinc/75/01/53/588750153.db2.gz XIWWBEJSKGLEMY-UHFFFAOYSA-N 1 2 240.332 0.631 20 0 BCADLO Cn1cnn(C[N@H+]2CCC3(COC3)C2)c1=S ZINC000853595799 588750154 /nfs/dbraw/zinc/75/01/54/588750154.db2.gz XIWWBEJSKGLEMY-UHFFFAOYSA-N 1 2 240.332 0.631 20 0 BCADLO COC[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853497782 588746343 /nfs/dbraw/zinc/74/63/43/588746343.db2.gz GHPOXEKNZJSPIZ-SECBINFHSA-N 1 2 227.264 0.071 20 0 BCADLO COC[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853497782 588746344 /nfs/dbraw/zinc/74/63/44/588746344.db2.gz GHPOXEKNZJSPIZ-SECBINFHSA-N 1 2 227.264 0.071 20 0 BCADLO CCN1CC[C@H](O[NH+]=C(N)COC(C)C)C1=O ZINC000853657782 588752853 /nfs/dbraw/zinc/75/28/53/588752853.db2.gz GLPSTYZWQQRDNF-VIFPVBQESA-N 1 2 243.307 0.531 20 0 BCADLO CC1=NO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000853661392 588753522 /nfs/dbraw/zinc/75/35/22/588753522.db2.gz UVXXQURRATYPHF-QMMMGPOBSA-N 1 2 246.274 0.940 20 0 BCADLO CCN1CC[C@@H](O[NH+]=C(N)[C@@H](C)OC)C1=O ZINC000853673990 588754634 /nfs/dbraw/zinc/75/46/34/588754634.db2.gz OFLPLPSHWCKJPG-HTQZYQBOSA-N 1 2 229.280 0.141 20 0 BCADLO NC(=[NH+]OC[C@H]1COCCO1)[C@H]1CCCO1 ZINC000853697410 588757484 /nfs/dbraw/zinc/75/74/84/588757484.db2.gz HEEOXKMVKLFCMG-RKDXNWHRSA-N 1 2 230.264 0.079 20 0 BCADLO NC(=[NH+]OCCOC(F)F)[C@@H]1CCCO1 ZINC000853699104 588757660 /nfs/dbraw/zinc/75/76/60/588757660.db2.gz XBIUVZSNLIXGSB-LURJTMIESA-N 1 2 224.207 0.903 20 0 BCADLO CCn1ncnc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698394 588757668 /nfs/dbraw/zinc/75/76/68/588757668.db2.gz PYXQBRMMXUBIJU-QMMMGPOBSA-N 1 2 239.279 0.475 20 0 BCADLO CCOCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742311 588760813 /nfs/dbraw/zinc/76/08/13/588760813.db2.gz IUANSQZPXLVIQC-UHFFFAOYSA-N 1 2 246.307 0.717 20 0 BCADLO C[C@H](NC(=O)c1nccn1C)c1[nH+]ccn1C ZINC000853867497 588766823 /nfs/dbraw/zinc/76/68/23/588766823.db2.gz KZYMKAWBMPBPJP-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO COC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC000853866034 588766915 /nfs/dbraw/zinc/76/69/15/588766915.db2.gz JJQCOAQENIEGBK-UHFFFAOYSA-N 1 2 238.291 0.919 20 0 BCADLO CSC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000854117273 588774998 /nfs/dbraw/zinc/77/49/98/588774998.db2.gz KDEUYGDOFIVGPR-UHFFFAOYSA-N 1 2 216.350 0.902 20 0 BCADLO CC[NH2+]Cc1noc(CCOCCCOC)n1 ZINC000854132390 588775882 /nfs/dbraw/zinc/77/58/82/588775882.db2.gz XMSKVKNUEAZXOW-UHFFFAOYSA-N 1 2 243.307 0.775 20 0 BCADLO CC1=NO[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000854275269 588782656 /nfs/dbraw/zinc/78/26/56/588782656.db2.gz JVRKNRMFBDBYGQ-VIFPVBQESA-N 1 2 236.275 0.543 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353593 588784759 /nfs/dbraw/zinc/78/47/59/588784759.db2.gz ATLXDXMTQWHSKH-ZRIVGHHVSA-N 1 2 249.358 0.625 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353593 588784760 /nfs/dbraw/zinc/78/47/60/588784760.db2.gz ATLXDXMTQWHSKH-ZRIVGHHVSA-N 1 2 249.358 0.625 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC12CC2 ZINC000854383743 588785458 /nfs/dbraw/zinc/78/54/58/588785458.db2.gz JULNFNMYGZUMPM-UHFFFAOYSA-N 1 2 221.260 0.344 20 0 BCADLO COCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000854395625 588785595 /nfs/dbraw/zinc/78/55/95/588785595.db2.gz PCUSDNXWEZIHTJ-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO CC1(C)SC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854387503 588785619 /nfs/dbraw/zinc/78/56/19/588785619.db2.gz ZMILEUDLBNMLQW-ZETCQYMHSA-N 1 2 225.317 0.962 20 0 BCADLO C[C@@H]1CSC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854428805 588786692 /nfs/dbraw/zinc/78/66/92/588786692.db2.gz ZEVZZIOTSKEJBK-HTQZYQBOSA-N 1 2 225.317 0.820 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000854429952 588786795 /nfs/dbraw/zinc/78/67/95/588786795.db2.gz NVSHVVKWFDFIGN-SECBINFHSA-N 1 2 249.274 0.148 20 0 BCADLO CO[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854445948 588787206 /nfs/dbraw/zinc/78/72/06/588787206.db2.gz REUIRCSDAASYMW-MRVPVSSYSA-N 1 2 211.265 0.446 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC(=O)C1 ZINC000854551623 588793441 /nfs/dbraw/zinc/79/34/41/588793441.db2.gz DMTQDLCBDXFAAR-APPZFPTMSA-N 1 2 237.259 0.020 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC(=O)C1 ZINC000854551623 588793442 /nfs/dbraw/zinc/79/34/42/588793442.db2.gz DMTQDLCBDXFAAR-APPZFPTMSA-N 1 2 237.259 0.020 20 0 BCADLO C=C=CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854579197 588795253 /nfs/dbraw/zinc/79/52/53/588795253.db2.gz BWLGXVCNBNWOKA-NXEZZACHSA-N 1 2 217.272 0.981 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1NC(=O)O[C@@H]1C)c1[nH]cc[nH+]1 ZINC000854594082 588796274 /nfs/dbraw/zinc/79/62/74/588796274.db2.gz CXDJUCJWEFBUSK-FSDSQADBSA-N 1 2 238.247 0.084 20 0 BCADLO C[C@@H](NC(=O)[C@H]1NC(=O)O[C@@H]1C)c1[nH]cc[nH+]1 ZINC000854594083 588796289 /nfs/dbraw/zinc/79/62/89/588796289.db2.gz CXDJUCJWEFBUSK-QYNIQEEDSA-N 1 2 238.247 0.084 20 0 BCADLO C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000854594593 588796505 /nfs/dbraw/zinc/79/65/05/588796505.db2.gz NSGQUUMKEWDTTJ-HTQZYQBOSA-N 1 2 225.292 0.994 20 0 BCADLO CO[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854662694 588800133 /nfs/dbraw/zinc/80/01/33/588800133.db2.gz JGSGCODNEDMCFV-VIFPVBQESA-N 1 2 223.276 0.493 20 0 BCADLO CCn1cnc(C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000854684566 588801113 /nfs/dbraw/zinc/80/11/13/588801113.db2.gz BRBPTSVTGZNPTO-SECBINFHSA-N 1 2 245.286 0.974 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1ncc[nH]1 ZINC000854686845 588801549 /nfs/dbraw/zinc/80/15/49/588801549.db2.gz ZHWAQRGTELURHL-ZETCQYMHSA-N 1 2 217.232 0.481 20 0 BCADLO CC[C@H]1[C@@H](CO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854746818 588805058 /nfs/dbraw/zinc/80/50/58/588805058.db2.gz HECAQNDDLUZTOX-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO CS[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854751850 588805219 /nfs/dbraw/zinc/80/52/19/588805219.db2.gz CESNBMYPSRRILP-QMMMGPOBSA-N 1 2 225.317 0.916 20 0 BCADLO CC(C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854753809 588805830 /nfs/dbraw/zinc/80/58/30/588805830.db2.gz HKWWJGLNZWIQKW-RKDXNWHRSA-N 1 2 223.276 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@](O)(C(F)F)C1 ZINC000854782944 588809060 /nfs/dbraw/zinc/80/90/60/588809060.db2.gz VYNBPWGBAVYXIO-SNVBAGLBSA-N 1 2 245.229 0.181 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@](O)(C(F)F)C1 ZINC000854782943 588809200 /nfs/dbraw/zinc/80/92/00/588809200.db2.gz VYNBPWGBAVYXIO-JTQLQIEISA-N 1 2 245.229 0.181 20 0 BCADLO CC1=NO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000854801482 588810857 /nfs/dbraw/zinc/81/08/57/588810857.db2.gz AFFJHXUFHIIOLR-SECBINFHSA-N 1 2 236.275 0.623 20 0 BCADLO CC1=NO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000854803527 588810907 /nfs/dbraw/zinc/81/09/07/588810907.db2.gz IWRQVZBGGDTDQA-JTQLQIEISA-N 1 2 236.275 0.623 20 0 BCADLO CC1=NO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000854803527 588810908 /nfs/dbraw/zinc/81/09/08/588810908.db2.gz IWRQVZBGGDTDQA-JTQLQIEISA-N 1 2 236.275 0.623 20 0 BCADLO COCC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854932115 588817043 /nfs/dbraw/zinc/81/70/43/588817043.db2.gz YUCRVAVUZUFPKC-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000854937678 588817312 /nfs/dbraw/zinc/81/73/12/588817312.db2.gz QEYRAWZLYBSOIP-KXUCPTDWSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H]1[C@H](CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854949655 588818595 /nfs/dbraw/zinc/81/85/95/588818595.db2.gz FVKCPGRHDHTERL-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000855020093 588820584 /nfs/dbraw/zinc/82/05/84/588820584.db2.gz GKRYEZPPNRZKFV-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COC(=O)N(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134443 588822801 /nfs/dbraw/zinc/82/28/01/588822801.db2.gz OLLPWHPYBHRZAI-UHFFFAOYSA-N 1 2 240.263 0.066 20 0 BCADLO COC(=O)N(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134443 588822802 /nfs/dbraw/zinc/82/28/02/588822802.db2.gz OLLPWHPYBHRZAI-UHFFFAOYSA-N 1 2 240.263 0.066 20 0 BCADLO COC/C(C)=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135657 588822962 /nfs/dbraw/zinc/82/29/62/588822962.db2.gz RTGRNFCXSPTELN-WTKPLQERSA-N 1 2 223.276 0.961 20 0 BCADLO COC/C(C)=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135657 588822963 /nfs/dbraw/zinc/82/29/63/588822963.db2.gz RTGRNFCXSPTELN-WTKPLQERSA-N 1 2 223.276 0.961 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(C=O)n1C ZINC000855135695 588823189 /nfs/dbraw/zinc/82/31/89/588823189.db2.gz TZCWASDGQLYAPG-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(C=O)n1C ZINC000855135695 588823190 /nfs/dbraw/zinc/82/31/90/588823190.db2.gz TZCWASDGQLYAPG-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cn(C)c(=O)[nH]1 ZINC000855135279 588823238 /nfs/dbraw/zinc/82/32/38/588823238.db2.gz GOADUNDENISYQO-UHFFFAOYSA-N 1 2 235.247 0.121 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1OCCO1 ZINC000855136395 588823341 /nfs/dbraw/zinc/82/33/41/588823341.db2.gz QGBAAHUPNQMNJP-UHFFFAOYSA-N 1 2 225.248 0.131 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1OCCO1 ZINC000855136395 588823342 /nfs/dbraw/zinc/82/33/42/588823342.db2.gz QGBAAHUPNQMNJP-UHFFFAOYSA-N 1 2 225.248 0.131 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)C1CCC1 ZINC000855265205 588826573 /nfs/dbraw/zinc/82/65/73/588826573.db2.gz GJNOMPKIELYJMW-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000113239475 588827761 /nfs/dbraw/zinc/82/77/61/588827761.db2.gz VAUYKPAHSRRIQJ-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000113239475 588827762 /nfs/dbraw/zinc/82/77/62/588827762.db2.gz VAUYKPAHSRRIQJ-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO COC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855413218 588831705 /nfs/dbraw/zinc/83/17/05/588831705.db2.gz IKBIFUBDAUNQCV-BDAKNGLRSA-N 1 2 216.281 0.452 20 0 BCADLO COC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855413218 588831706 /nfs/dbraw/zinc/83/17/06/588831706.db2.gz IKBIFUBDAUNQCV-BDAKNGLRSA-N 1 2 216.281 0.452 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@H](O)C1CC1 ZINC000890722912 582516226 /nfs/dbraw/zinc/51/62/26/582516226.db2.gz IZFXBCAUUIAZSA-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO CCOC(=O)[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000890732553 582522386 /nfs/dbraw/zinc/52/23/86/582522386.db2.gz VFZSCMUWXUKRKV-QMMMGPOBSA-N 1 2 239.275 0.362 20 0 BCADLO C[C@@]12COC[C@]1(C)CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000855543580 588839239 /nfs/dbraw/zinc/83/92/39/588839239.db2.gz IKCSLFISDBHQBR-BETUJISGSA-N 1 2 249.314 0.837 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C=CCC1 ZINC000855431117 588835203 /nfs/dbraw/zinc/83/52/03/588835203.db2.gz RTANMQFEPMZCNR-VIFPVBQESA-N 1 2 205.261 0.797 20 0 BCADLO CCCONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000844086420 582569690 /nfs/dbraw/zinc/56/96/90/582569690.db2.gz PAHVCDUHKXLRBD-VIFPVBQESA-N 1 2 223.276 0.903 20 0 BCADLO O=C(NN1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844143249 582575500 /nfs/dbraw/zinc/57/55/00/582575500.db2.gz ABHHENNPXJNSLG-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891047674 582601804 /nfs/dbraw/zinc/60/18/04/582601804.db2.gz RJKYEKCPEXSGTL-GHMZBOCLSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1ncccn1 ZINC000891256377 582642172 /nfs/dbraw/zinc/64/21/72/582642172.db2.gz HFGLMOWIWWFWPT-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000846091915 582644889 /nfs/dbraw/zinc/64/48/89/582644889.db2.gz QQIZAHDHHRXGJQ-JTQLQIEISA-N 1 2 244.335 0.849 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094656 582658189 /nfs/dbraw/zinc/65/81/89/582658189.db2.gz DOIBWVIGCAFHRF-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H](CO)C2CC2)n1 ZINC000846854437 582669069 /nfs/dbraw/zinc/66/90/69/582669069.db2.gz HDAUAPYMJQAERR-VIFPVBQESA-N 1 2 239.323 0.289 20 0 BCADLO Cc1[nH]c(C(=O)NCCOC(=O)N(C)C)c[nH+]1 ZINC000855648991 588843300 /nfs/dbraw/zinc/84/33/00/588843300.db2.gz DPLGMECLLMUOSR-UHFFFAOYSA-N 1 2 240.263 0.146 20 0 BCADLO NC(=O)[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891493398 582693199 /nfs/dbraw/zinc/69/31/99/582693199.db2.gz OXTJUVCAJLUMSF-VIFPVBQESA-N 1 2 245.286 0.431 20 0 BCADLO CN(C)c1cc(N(C)Cc2cnn(C)c2)nc[nH+]1 ZINC000891558449 582697014 /nfs/dbraw/zinc/69/70/14/582697014.db2.gz JYNZWLYFRYJANY-UHFFFAOYSA-N 1 2 246.318 0.913 20 0 BCADLO CN(C)c1cc(N(C)Cc2cnn(C)c2)[nH+]cn1 ZINC000891558449 582697015 /nfs/dbraw/zinc/69/70/15/582697015.db2.gz JYNZWLYFRYJANY-UHFFFAOYSA-N 1 2 246.318 0.913 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)C1O ZINC000855691975 588845050 /nfs/dbraw/zinc/84/50/50/588845050.db2.gz BOSHSICFJGICPL-RKDXNWHRSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H]1C(=O)NCCN1Cc1[nH+]ccn1C1CC1 ZINC000891850009 582729845 /nfs/dbraw/zinc/72/98/45/582729845.db2.gz NMUJEDOCHMOJKA-VIFPVBQESA-N 1 2 234.303 0.538 20 0 BCADLO C[C@@H](O)CN(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892003678 582758978 /nfs/dbraw/zinc/75/89/78/582758978.db2.gz CQGRJRIDOUBHPB-ZCFIWIBFSA-N 1 2 223.280 0.148 20 0 BCADLO C[C@@H](O)CN(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892003678 582758975 /nfs/dbraw/zinc/75/89/75/582758975.db2.gz CQGRJRIDOUBHPB-ZCFIWIBFSA-N 1 2 223.280 0.148 20 0 BCADLO OCCC[N@H+](CCO)Cc1nccn1C1CC1 ZINC000892019904 582762872 /nfs/dbraw/zinc/76/28/72/582762872.db2.gz QDXLQOZVFNSVAI-UHFFFAOYSA-N 1 2 239.319 0.395 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000892060823 582781439 /nfs/dbraw/zinc/78/14/39/582781439.db2.gz NERRXZNSSDGAJS-RKDXNWHRSA-N 1 2 222.292 0.875 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000855869550 588852258 /nfs/dbraw/zinc/85/22/58/588852258.db2.gz OZWDLPVJMXQEIV-RKDXNWHRSA-N 1 2 223.276 0.324 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000892241938 582811997 /nfs/dbraw/zinc/81/19/97/582811997.db2.gz MUKLXIDDLUXWMA-SECBINFHSA-N 1 2 224.260 0.609 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000892241938 582811998 /nfs/dbraw/zinc/81/19/98/582811998.db2.gz MUKLXIDDLUXWMA-SECBINFHSA-N 1 2 224.260 0.609 20 0 BCADLO CN(C)c1cc(N(C)Cc2cc[nH]n2)nc[nH+]1 ZINC000892481468 582896563 /nfs/dbraw/zinc/89/65/63/582896563.db2.gz MCYXAMXIYOJKJB-UHFFFAOYSA-N 1 2 232.291 0.902 20 0 BCADLO CN(C)c1cc(N(C)Cc2cc[nH]n2)[nH+]cn1 ZINC000892481468 582896565 /nfs/dbraw/zinc/89/65/65/582896565.db2.gz MCYXAMXIYOJKJB-UHFFFAOYSA-N 1 2 232.291 0.902 20 0 BCADLO C[S@@](=O)CCNc1nccn2c[nH+]cc12 ZINC000892574179 582918490 /nfs/dbraw/zinc/91/84/90/582918490.db2.gz XTLUGVNGTJMYLO-OAHLLOKOSA-N 1 2 224.289 0.520 20 0 BCADLO CCc1cc(N2CCN(C)C(=O)C2)nc(CC)[nH+]1 ZINC000892639540 582936007 /nfs/dbraw/zinc/93/60/07/582936007.db2.gz GVZSDRDTKZYOCO-UHFFFAOYSA-N 1 2 248.330 0.880 20 0 BCADLO Nc1nc(N(CCO)CC2CC2)nc(C2CC2)[nH+]1 ZINC000892687728 582955029 /nfs/dbraw/zinc/95/50/29/582955029.db2.gz SMSQGJAZZRWXRQ-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N(CCO)CC2CC2)n1 ZINC000892687728 582955031 /nfs/dbraw/zinc/95/50/31/582955031.db2.gz SMSQGJAZZRWXRQ-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000851969013 582986850 /nfs/dbraw/zinc/98/68/50/582986850.db2.gz XDEGZZFSTMWQCG-SBMIAAHKSA-N 1 2 236.319 0.742 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000851969013 582986854 /nfs/dbraw/zinc/98/68/54/582986854.db2.gz XDEGZZFSTMWQCG-SBMIAAHKSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@H](O)c1cccc(NC[C@]2(O)CCOC2)[nH+]1 ZINC000892981735 583024968 /nfs/dbraw/zinc/02/49/68/583024968.db2.gz UDEYDGDUFWMFQD-JOYOIKCWSA-N 1 2 238.287 0.698 20 0 BCADLO CN(C)c1cc(NC[C@]2(O)CCOC2)[nH+]cn1 ZINC000892980476 583025027 /nfs/dbraw/zinc/02/50/27/583025027.db2.gz LTHCXUXSJBISDJ-LLVKDONJSA-N 1 2 238.291 0.106 20 0 BCADLO CN(C)c1cc(NC[C@]2(O)CCOC2)nc[nH+]1 ZINC000892980476 583025029 /nfs/dbraw/zinc/02/50/29/583025029.db2.gz LTHCXUXSJBISDJ-LLVKDONJSA-N 1 2 238.291 0.106 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccccn1 ZINC000853100180 583027370 /nfs/dbraw/zinc/02/73/70/583027370.db2.gz ZIACCUCYNSULLJ-NSHDSACASA-N 1 2 218.260 0.628 20 0 BCADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893030933 583033081 /nfs/dbraw/zinc/03/30/81/583033081.db2.gz USPHMRWEWJEWCK-GXSJLCMTSA-N 1 2 232.287 0.936 20 0 BCADLO CN(C)c1cc(NCc2ccn(C)n2)[nH+]cn1 ZINC000893050560 583036773 /nfs/dbraw/zinc/03/67/73/583036773.db2.gz MCIFDACFOTWVJF-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CN(C)c1cc(NCc2ccn(C)n2)nc[nH+]1 ZINC000893050560 583036776 /nfs/dbraw/zinc/03/67/76/583036776.db2.gz MCIFDACFOTWVJF-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO COC1(C)CN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000893061638 583039042 /nfs/dbraw/zinc/03/90/42/583039042.db2.gz ZYFZJTHRFWRMDA-UHFFFAOYSA-N 1 2 222.292 0.768 20 0 BCADLO COC1(C)CN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000893061638 583039044 /nfs/dbraw/zinc/03/90/44/583039044.db2.gz ZYFZJTHRFWRMDA-UHFFFAOYSA-N 1 2 222.292 0.768 20 0 BCADLO CC[C@H](COC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893113528 583051712 /nfs/dbraw/zinc/05/17/12/583051712.db2.gz MJGYDEAYEPWQPC-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO C[C@H](C[S@@](C)=O)Nc1cc(N(C)C)nc[nH+]1 ZINC000893140572 583055748 /nfs/dbraw/zinc/05/57/48/583055748.db2.gz WKLUWZIHPSOFIV-VPTHRUTESA-N 1 2 242.348 0.722 20 0 BCADLO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c(=O)o1 ZINC000853500895 583058212 /nfs/dbraw/zinc/05/82/12/583058212.db2.gz AAUUZXZHWRPSPI-UHFFFAOYSA-N 1 2 223.276 0.978 20 0 BCADLO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c(=O)o1 ZINC000853500895 583058214 /nfs/dbraw/zinc/05/82/14/583058214.db2.gz AAUUZXZHWRPSPI-UHFFFAOYSA-N 1 2 223.276 0.978 20 0 BCADLO CCN1CCN(c2cccc([C@H](C)O)[nH+]2)CC1=O ZINC000893164387 583061153 /nfs/dbraw/zinc/06/11/53/583061153.db2.gz OOWFKEOHQUQWQT-JTQLQIEISA-N 1 2 249.314 0.803 20 0 BCADLO CN(c1nccn2c[nH+]cc12)C1CC(O)C1 ZINC000893167933 583062484 /nfs/dbraw/zinc/06/24/84/583062484.db2.gz PWSLWTLMHIRACQ-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO CC1=NO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000854794268 583093832 /nfs/dbraw/zinc/09/38/32/583093832.db2.gz FNSCEPCUGRYHGS-SNVBAGLBSA-N 1 2 236.275 0.554 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nnc(C(C)C)s1 ZINC000893320155 583100355 /nfs/dbraw/zinc/10/03/55/583100355.db2.gz MHYRJTVNWRKVEJ-UHFFFAOYSA-N 1 2 242.348 0.887 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cnccn2)C1 ZINC000856773594 588877167 /nfs/dbraw/zinc/87/71/67/588877167.db2.gz LMXHJEYRYWMIMC-UHFFFAOYSA-N 1 2 222.248 0.017 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000203586039 583117629 /nfs/dbraw/zinc/11/76/29/583117629.db2.gz BCYOCZNEJMUHRX-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000203586039 583117631 /nfs/dbraw/zinc/11/76/31/583117631.db2.gz BCYOCZNEJMUHRX-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000856281814 583117847 /nfs/dbraw/zinc/11/78/47/583117847.db2.gz RXVZVIXETCYQHY-IUCAKERBSA-N 1 2 236.275 0.762 20 0 BCADLO CCn1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000893361260 583124513 /nfs/dbraw/zinc/12/45/13/583124513.db2.gz JUVRQFCBDIZQBZ-SECBINFHSA-N 1 2 249.318 0.151 20 0 BCADLO CNc1cc(N2CC(=O)N(C)C[C@@H]2C)nc[nH+]1 ZINC000893378431 583132740 /nfs/dbraw/zinc/13/27/40/583132740.db2.gz AZOCKCLPRONWNV-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N2CC(=O)N(C)C[C@@H]2C)[nH+]cn1 ZINC000893378431 583132742 /nfs/dbraw/zinc/13/27/42/583132742.db2.gz AZOCKCLPRONWNV-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CN(CC1(CO)CC1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000893382298 583133258 /nfs/dbraw/zinc/13/32/58/583133258.db2.gz OTEFYBHDWCWJCF-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO CN(CC1(CO)CC1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000893382298 583133260 /nfs/dbraw/zinc/13/32/60/583133260.db2.gz OTEFYBHDWCWJCF-UHFFFAOYSA-N 1 2 249.318 0.540 20 0 BCADLO CO[C@@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000893397217 583136082 /nfs/dbraw/zinc/13/60/82/583136082.db2.gz OROANRPDEYUUKE-QMMMGPOBSA-N 1 2 210.281 0.989 20 0 BCADLO CO[C@@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000893397217 583136084 /nfs/dbraw/zinc/13/60/84/583136084.db2.gz OROANRPDEYUUKE-QMMMGPOBSA-N 1 2 210.281 0.989 20 0 BCADLO CCn1nncc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000893556197 583163809 /nfs/dbraw/zinc/16/38/09/583163809.db2.gz OFYPDCYOHSXOSM-FVMDXXJSSA-N 1 2 244.364 0.497 20 0 BCADLO CCn1nncc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000893556197 583163811 /nfs/dbraw/zinc/16/38/11/583163811.db2.gz OFYPDCYOHSXOSM-FVMDXXJSSA-N 1 2 244.364 0.497 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@](C)(O)CO)[nH+]1 ZINC000893627028 583176870 /nfs/dbraw/zinc/17/68/70/583176870.db2.gz ZZMHEUFGGNIDKU-KCJUWKMLSA-N 1 2 226.276 0.290 20 0 BCADLO Cn1cc(C[N@H+](CCO)CCCO)c(Cl)n1 ZINC000857021933 588882363 /nfs/dbraw/zinc/88/23/63/588882363.db2.gz ZNIBUDCTNIVDDQ-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO Cn1cc(C[N@@H+](CCO)CCCO)c(Cl)n1 ZINC000857021933 588882364 /nfs/dbraw/zinc/88/23/64/588882364.db2.gz ZNIBUDCTNIVDDQ-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+]CC(F)(F)CO ZINC000893642260 583184190 /nfs/dbraw/zinc/18/41/90/583184190.db2.gz NMRFXGNVCVOQHU-LURJTMIESA-N 1 2 211.208 0.155 20 0 BCADLO CNc1cc(N2CCO[C@H](C(F)F)C2)nc[nH+]1 ZINC000893707987 583208410 /nfs/dbraw/zinc/20/84/10/583208410.db2.gz DWJMPKXLPPFVEX-ZETCQYMHSA-N 1 2 244.245 0.989 20 0 BCADLO CNc1cc(N2CCO[C@H](C(F)F)C2)[nH+]cn1 ZINC000893707987 583208411 /nfs/dbraw/zinc/20/84/11/583208411.db2.gz DWJMPKXLPPFVEX-ZETCQYMHSA-N 1 2 244.245 0.989 20 0 BCADLO C[C@H](O)c1cccc(NCc2cnn(C)n2)[nH+]1 ZINC000893849050 583232648 /nfs/dbraw/zinc/23/26/48/583232648.db2.gz VFFPVOVNDBEKRY-QMMMGPOBSA-N 1 2 233.275 0.876 20 0 BCADLO C[C@H](NCc1cnccn1)[C@H]1C[N@H+](C)CCO1 ZINC000856773767 588876961 /nfs/dbraw/zinc/87/69/61/588876961.db2.gz TWGYWOADOJAMIW-CMPLNLGQSA-N 1 2 236.319 0.285 20 0 BCADLO C[C@H](NCc1cnccn1)[C@H]1C[N@@H+](C)CCO1 ZINC000856773767 588876962 /nfs/dbraw/zinc/87/69/62/588876962.db2.gz TWGYWOADOJAMIW-CMPLNLGQSA-N 1 2 236.319 0.285 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1C ZINC000893871805 583237405 /nfs/dbraw/zinc/23/74/05/583237405.db2.gz QSINMSSPKZSIAZ-VIFPVBQESA-N 1 2 222.292 0.334 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C(N)=O)C2)c1C ZINC000893871805 583237407 /nfs/dbraw/zinc/23/74/07/583237407.db2.gz QSINMSSPKZSIAZ-VIFPVBQESA-N 1 2 222.292 0.334 20 0 BCADLO Cc1[nH]nc(C[NH+]2CCC(C(N)=O)CC2)c1C ZINC000893871249 583237696 /nfs/dbraw/zinc/23/76/96/583237696.db2.gz IWJGTRLMIVYUPH-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCOC[C@H]2C)C1(F)F ZINC000893963019 583257976 /nfs/dbraw/zinc/25/79/76/583257976.db2.gz XCJKTTFLQUVAEW-VGMNWLOBSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CCOC[C@H]2C)C1(F)F ZINC000893963019 583257977 /nfs/dbraw/zinc/25/79/77/583257977.db2.gz XCJKTTFLQUVAEW-VGMNWLOBSA-N 1 2 249.257 0.761 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ocnc1C ZINC000893966239 583263363 /nfs/dbraw/zinc/26/33/63/583263363.db2.gz LBABETULERWLPI-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ocnc1C ZINC000893966239 583263368 /nfs/dbraw/zinc/26/33/68/583263368.db2.gz LBABETULERWLPI-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000893989667 583270543 /nfs/dbraw/zinc/27/05/43/583270543.db2.gz VDPWGAWAJGHSOO-VIFPVBQESA-N 1 2 245.286 0.956 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000893989667 583270544 /nfs/dbraw/zinc/27/05/44/583270544.db2.gz VDPWGAWAJGHSOO-VIFPVBQESA-N 1 2 245.286 0.956 20 0 BCADLO CN(C)c1cc(N2CCC[C@H](O)CC2)nc[nH+]1 ZINC000894000112 583271350 /nfs/dbraw/zinc/27/13/50/583271350.db2.gz IKCJQCIGXDWLMJ-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@H](O)CC2)[nH+]cn1 ZINC000894000112 583271351 /nfs/dbraw/zinc/27/13/51/583271351.db2.gz IKCJQCIGXDWLMJ-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1c(C)cc[nH+]c1N ZINC000893999915 583271609 /nfs/dbraw/zinc/27/16/09/583271609.db2.gz UYYLMFWGVOIHHC-NSHDSACASA-N 1 2 248.330 0.683 20 0 BCADLO COCC[N@H+](Cc1cc(C)co1)[C@@H](C)C(N)=O ZINC000894006132 583273992 /nfs/dbraw/zinc/27/39/92/583273992.db2.gz QKDWMYNSDAQCCE-JTQLQIEISA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1cc(C)co1)[C@@H](C)C(N)=O ZINC000894006132 583273993 /nfs/dbraw/zinc/27/39/93/583273993.db2.gz QKDWMYNSDAQCCE-JTQLQIEISA-N 1 2 240.303 0.910 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1[nH]nc(C)c1C)C2 ZINC000894031079 583277568 /nfs/dbraw/zinc/27/75/68/583277568.db2.gz NXXCIXWRJFXGTC-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1[nH]nc(C)c1C)C2 ZINC000894031079 583277569 /nfs/dbraw/zinc/27/75/69/583277569.db2.gz NXXCIXWRJFXGTC-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000857141175 588890650 /nfs/dbraw/zinc/89/06/50/588890650.db2.gz QTEKUYNZIUZSGE-SECBINFHSA-N 1 2 249.270 0.934 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000894083843 583295712 /nfs/dbraw/zinc/29/57/12/583295712.db2.gz GXJABSBQFZISSY-AOOOYVTPSA-N 1 2 239.319 0.461 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000894083843 583295714 /nfs/dbraw/zinc/29/57/14/583295714.db2.gz GXJABSBQFZISSY-AOOOYVTPSA-N 1 2 239.319 0.461 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2COC[C@H]2O)[nH+]1 ZINC000894097737 583302788 /nfs/dbraw/zinc/30/27/88/583302788.db2.gz CDGNWAXBCQODER-SZEHBUNVSA-N 1 2 224.260 0.307 20 0 BCADLO O=C(C[NH2+]Cc1cnc[nH]1)NCc1ccco1 ZINC000894166909 583323401 /nfs/dbraw/zinc/32/34/01/583323401.db2.gz WBUNZXNIVSZBGH-UHFFFAOYSA-N 1 2 234.259 0.409 20 0 BCADLO FC[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894180585 583330480 /nfs/dbraw/zinc/33/04/80/583330480.db2.gz CXGMGAZUEGIJHK-SECBINFHSA-N 1 2 236.250 0.904 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726791027 583374046 /nfs/dbraw/zinc/37/40/46/583374046.db2.gz KVDMWXSMPLNTNM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726791027 583374049 /nfs/dbraw/zinc/37/40/49/583374049.db2.gz KVDMWXSMPLNTNM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790964 583374463 /nfs/dbraw/zinc/37/44/63/583374463.db2.gz JINSMDVNPCYTGK-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790964 583374464 /nfs/dbraw/zinc/37/44/64/583374464.db2.gz JINSMDVNPCYTGK-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCNC(=O)C1 ZINC000726791539 583374507 /nfs/dbraw/zinc/37/45/07/583374507.db2.gz RNFULQTUVGKIKQ-GFCCVEGCSA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCCNC(=O)C1 ZINC000726791539 583374508 /nfs/dbraw/zinc/37/45/08/583374508.db2.gz RNFULQTUVGKIKQ-GFCCVEGCSA-N 1 2 247.298 0.035 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCCNC(=O)C1 ZINC000726789955 583375008 /nfs/dbraw/zinc/37/50/08/583375008.db2.gz LIDKKHVBAGWKRU-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878509948 583376698 /nfs/dbraw/zinc/37/66/98/583376698.db2.gz ZDIYQAPDRHVTHI-WPRPVWTQSA-N 1 2 248.348 0.398 20 0 BCADLO CNc1cc(NC2CCN(OC)CC2)[nH+]cn1 ZINC000894251730 583392891 /nfs/dbraw/zinc/39/28/91/583392891.db2.gz QMPVQEHAAVUQQT-UHFFFAOYSA-N 1 2 237.307 0.956 20 0 BCADLO CCOCCONC(=O)NCc1cn(C)c[nH+]1 ZINC000894272075 583403552 /nfs/dbraw/zinc/40/35/52/583403552.db2.gz PVLWCJVGRCEXSR-UHFFFAOYSA-N 1 2 242.279 0.187 20 0 BCADLO CCOC(=O)C1CC[NH+](CN2CCC2=O)CC1 ZINC000857229539 588896638 /nfs/dbraw/zinc/89/66/38/588896638.db2.gz VIMRYMQALQOBHO-UHFFFAOYSA-N 1 2 240.303 0.451 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)CC(C)(C)O1 ZINC000857231371 588897116 /nfs/dbraw/zinc/89/71/16/588897116.db2.gz GSABZQHGZKBOFV-SECBINFHSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)CC(C)(C)O1 ZINC000857231371 588897117 /nfs/dbraw/zinc/89/71/17/588897117.db2.gz GSABZQHGZKBOFV-SECBINFHSA-N 1 2 212.293 0.676 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccon2)C1(F)F ZINC000894323409 583422227 /nfs/dbraw/zinc/42/22/27/583422227.db2.gz GDKQROQMOUPJPD-SFYZADRCSA-N 1 2 246.213 0.819 20 0 BCADLO O=C1CCN1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000857232423 588897747 /nfs/dbraw/zinc/89/77/47/588897747.db2.gz CEOAAGOOOCEXLD-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO O=C1CCN1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000857232423 588897748 /nfs/dbraw/zinc/89/77/48/588897748.db2.gz CEOAAGOOOCEXLD-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO CC(C)(C)N1C[C@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000894325875 583423651 /nfs/dbraw/zinc/42/36/51/583423651.db2.gz LULYUFLZRTYGMR-SECBINFHSA-N 1 2 236.319 0.899 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894353716 583434216 /nfs/dbraw/zinc/43/42/16/583434216.db2.gz DVCOFOIAXOGYNE-FBIMIBRVSA-N 1 2 238.287 0.961 20 0 BCADLO CNc1cc(N2CN(C)C(=O)[C@H]2C)nc[nH+]1 ZINC000894365652 583438687 /nfs/dbraw/zinc/43/86/87/583438687.db2.gz ZDSWRJMTKXNCPQ-SSDOTTSWSA-N 1 2 221.264 0.143 20 0 BCADLO CNc1cc(N2CN(C)C(=O)[C@H]2C)[nH+]cn1 ZINC000894365652 583438689 /nfs/dbraw/zinc/43/86/89/583438689.db2.gz ZDSWRJMTKXNCPQ-SSDOTTSWSA-N 1 2 221.264 0.143 20 0 BCADLO CC[C@]1(C)C[N@H+](CN2CCC2=O)CCO1 ZINC000857234739 588899429 /nfs/dbraw/zinc/89/94/29/588899429.db2.gz LZUJWWQQSQHXAR-LLVKDONJSA-N 1 2 212.293 0.677 20 0 BCADLO CC[C@]1(C)C[N@@H+](CN2CCC2=O)CCO1 ZINC000857234739 588899430 /nfs/dbraw/zinc/89/94/30/588899430.db2.gz LZUJWWQQSQHXAR-LLVKDONJSA-N 1 2 212.293 0.677 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CCC2=O)C[C@@H]1F ZINC000857235083 588899490 /nfs/dbraw/zinc/89/94/90/588899490.db2.gz YPBMQMZPSUGEAT-BDAKNGLRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CCC2=O)C[C@@H]1F ZINC000857235083 588899491 /nfs/dbraw/zinc/89/94/91/588899491.db2.gz YPBMQMZPSUGEAT-BDAKNGLRSA-N 1 2 200.257 0.856 20 0 BCADLO CCn1cc(C[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC000894438577 583460172 /nfs/dbraw/zinc/46/01/72/583460172.db2.gz DBIPMVLKVNITQK-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO COc1ncc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000748323231 583468718 /nfs/dbraw/zinc/46/87/18/583468718.db2.gz VWGVCMOFFMGRMN-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1ncc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000748323231 583468720 /nfs/dbraw/zinc/46/87/20/583468720.db2.gz VWGVCMOFFMGRMN-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COC(=O)c1cncc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000894472021 583468934 /nfs/dbraw/zinc/46/89/34/583468934.db2.gz QBZJJPKQSZNLCN-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1cncc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000894472021 583468937 /nfs/dbraw/zinc/46/89/37/583468937.db2.gz QBZJJPKQSZNLCN-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2ccn(C)n2)C1 ZINC000894542247 583480445 /nfs/dbraw/zinc/48/04/45/583480445.db2.gz IPCREBKLNBAJLY-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2cnc[nH]2)C1 ZINC000894542481 583481985 /nfs/dbraw/zinc/48/19/85/583481985.db2.gz JPKVCZZWJHXZBT-UHFFFAOYSA-N 1 2 224.264 0.340 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2c[nH]cn2)C1 ZINC000894542481 583481987 /nfs/dbraw/zinc/48/19/87/583481987.db2.gz JPKVCZZWJHXZBT-UHFFFAOYSA-N 1 2 224.264 0.340 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2cc[nH]n2)C1 ZINC000894542815 583482112 /nfs/dbraw/zinc/48/21/12/583482112.db2.gz OWJOHTCMPNJGIT-UHFFFAOYSA-N 1 2 224.264 0.340 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000857312577 588905662 /nfs/dbraw/zinc/90/56/62/588905662.db2.gz UIFSGXHGCQOLTH-GFCCVEGCSA-N 1 2 234.299 0.811 20 0 BCADLO COC(=O)[C@@H](C)NCc1c(C)cc[nH+]c1N ZINC000894629715 583497407 /nfs/dbraw/zinc/49/74/07/583497407.db2.gz MMDRVABCSUSERT-MRVPVSSYSA-N 1 2 223.276 0.623 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+](C)CCOCCO)n1 ZINC000894671595 583503496 /nfs/dbraw/zinc/50/34/96/583503496.db2.gz IOZFGHSCWYKVIE-UHFFFAOYSA-N 1 2 241.335 0.974 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+](C)CCOCCO)n1 ZINC000894671595 583503497 /nfs/dbraw/zinc/50/34/97/583503497.db2.gz IOZFGHSCWYKVIE-UHFFFAOYSA-N 1 2 241.335 0.974 20 0 BCADLO CC(=O)N1CC[C@@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC000894677559 583504443 /nfs/dbraw/zinc/50/44/43/583504443.db2.gz WQIXONBNZBLKBN-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(=O)N1CC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000894677559 583504445 /nfs/dbraw/zinc/50/44/45/583504445.db2.gz WQIXONBNZBLKBN-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CC[C@](F)(CO)C2)c1C ZINC000894686966 583506798 /nfs/dbraw/zinc/50/67/98/583506798.db2.gz ZXKDPQNWQPUMQR-LLVKDONJSA-N 1 2 227.283 0.933 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CC[C@](F)(CO)C2)c1C ZINC000894686966 583506800 /nfs/dbraw/zinc/50/68/00/583506800.db2.gz ZXKDPQNWQPUMQR-LLVKDONJSA-N 1 2 227.283 0.933 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc3c2OCC3)CC(=O)N1 ZINC000894728938 583513312 /nfs/dbraw/zinc/51/33/12/583513312.db2.gz MQVFUCHRVFBOCV-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CC(=O)N1 ZINC000894728938 583513313 /nfs/dbraw/zinc/51/33/13/583513313.db2.gz MQVFUCHRVFBOCV-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc2nncn21 ZINC000894761830 583518535 /nfs/dbraw/zinc/51/85/35/583518535.db2.gz YEWHAVDARBZVII-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cccc2nncn21 ZINC000894761830 583518536 /nfs/dbraw/zinc/51/85/36/583518536.db2.gz YEWHAVDARBZVII-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO CC(C)(C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894805021 583522818 /nfs/dbraw/zinc/52/28/18/583522818.db2.gz LBLQZHWTCPFMAI-UHFFFAOYSA-N 1 2 224.308 0.632 20 0 BCADLO CC(C)(C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000894805021 583522819 /nfs/dbraw/zinc/52/28/19/583522819.db2.gz LBLQZHWTCPFMAI-UHFFFAOYSA-N 1 2 224.308 0.632 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@@H]1CC[C@@H]1C1CC1)CC2 ZINC000894811206 583523281 /nfs/dbraw/zinc/52/32/81/583523281.db2.gz WIHVTHWEIKRXHQ-ZYHUDNBSSA-N 1 2 248.330 0.775 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@@H]1CC[C@@H]1C1CC1)CC2 ZINC000894811206 583523282 /nfs/dbraw/zinc/52/32/82/583523282.db2.gz WIHVTHWEIKRXHQ-ZYHUDNBSSA-N 1 2 248.330 0.775 20 0 BCADLO CC1(O)C[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000894830601 583527982 /nfs/dbraw/zinc/52/79/82/583527982.db2.gz NDOJLOVJUPPASD-VHSXEESVSA-N 1 2 245.294 0.687 20 0 BCADLO COCC1(O)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894839467 583529479 /nfs/dbraw/zinc/52/94/79/583529479.db2.gz JHXGGOBHNQETLB-UHFFFAOYSA-N 1 2 237.303 0.411 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH2+]C(CF)CF)C1(F)F ZINC000894872762 583540469 /nfs/dbraw/zinc/54/04/69/583540469.db2.gz ICKJPOLIEWGUME-BQBZGAKWSA-N 1 2 243.200 0.938 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH2+]C(CF)CF)C1(F)F ZINC000894872764 583540345 /nfs/dbraw/zinc/54/03/45/583540345.db2.gz ICKJPOLIEWGUME-RNFRBKRXSA-N 1 2 243.200 0.938 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2CCOC[C@@H]2C)C1(F)F ZINC000894874738 583541066 /nfs/dbraw/zinc/54/10/66/583541066.db2.gz XCJKTTFLQUVAEW-DJLDLDEBSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@H+]2CCOC[C@@H]2C)C1(F)F ZINC000894874738 583541067 /nfs/dbraw/zinc/54/10/67/583541067.db2.gz XCJKTTFLQUVAEW-DJLDLDEBSA-N 1 2 249.257 0.761 20 0 BCADLO C[C@H]([NH2+]C[C@H]1COCO1)C(=O)OC(C)(C)C ZINC000894889467 583547368 /nfs/dbraw/zinc/54/73/68/583547368.db2.gz PBBKQHJFLPRQBH-IUCAKERBSA-N 1 2 231.292 0.679 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)CCO ZINC000894896598 583550289 /nfs/dbraw/zinc/55/02/89/583550289.db2.gz FUTRVNNSNOINEK-WPRPVWTQSA-N 1 2 215.293 0.689 20 0 BCADLO CN(C)c1cc(NCC[C@H](O)C(F)F)[nH+]cn1 ZINC000894915479 583555809 /nfs/dbraw/zinc/55/58/09/583555809.db2.gz MRQBBZKAALVPAY-ZETCQYMHSA-N 1 2 246.261 0.971 20 0 BCADLO CN(C)c1cc(NCC[C@H](O)C(F)F)nc[nH+]1 ZINC000894915479 583555810 /nfs/dbraw/zinc/55/58/10/583555810.db2.gz MRQBBZKAALVPAY-ZETCQYMHSA-N 1 2 246.261 0.971 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000894972676 583561248 /nfs/dbraw/zinc/56/12/48/583561248.db2.gz DJBAYHBAMLSQEY-NSHDSACASA-N 1 2 248.330 0.928 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000894972676 583561251 /nfs/dbraw/zinc/56/12/51/583561251.db2.gz DJBAYHBAMLSQEY-NSHDSACASA-N 1 2 248.330 0.928 20 0 BCADLO CCC[C@@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000894975373 583561693 /nfs/dbraw/zinc/56/16/93/583561693.db2.gz LPQKQVUFLFJXRQ-MWLCHTKSSA-N 1 2 217.309 0.936 20 0 BCADLO CC1(O)C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894976046 583562357 /nfs/dbraw/zinc/56/23/57/583562357.db2.gz IBWMLVDFFIHDNQ-UHFFFAOYSA-N 1 2 235.239 0.953 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894978515 583563535 /nfs/dbraw/zinc/56/35/35/583563535.db2.gz YRWKRQXUUCZGNP-RKDXNWHRSA-N 1 2 240.307 0.643 20 0 BCADLO CCc1cc(NC[C@@H](O)[C@H](C)O)nc(CC)[nH+]1 ZINC000894988358 583565338 /nfs/dbraw/zinc/56/53/38/583565338.db2.gz DKNMWGILSCTRBD-WCBMZHEXSA-N 1 2 239.319 0.755 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCCCF)c1 ZINC000894996106 583566422 /nfs/dbraw/zinc/56/64/22/583566422.db2.gz BNJMNPNHYUWSAL-UHFFFAOYSA-N 1 2 228.271 0.969 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000895014403 583568885 /nfs/dbraw/zinc/56/88/85/583568885.db2.gz IWRQLYLLHHVHKZ-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000895014403 583568887 /nfs/dbraw/zinc/56/88/87/583568887.db2.gz IWRQLYLLHHVHKZ-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cc(C2CC2)no1 ZINC000895045708 583572333 /nfs/dbraw/zinc/57/23/33/583572333.db2.gz WEZVRUADFABCPR-UHFFFAOYSA-N 1 2 239.275 0.661 20 0 BCADLO C[C@H](F)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000895053006 583574306 /nfs/dbraw/zinc/57/43/06/583574306.db2.gz XALRTVOHCDPEFV-QMMMGPOBSA-N 1 2 228.271 0.967 20 0 BCADLO O=C(NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000842109242 583575339 /nfs/dbraw/zinc/57/53/39/583575339.db2.gz IPEMGOIMXNPWCR-PHIMTYICSA-N 1 2 240.303 0.307 20 0 BCADLO O=C(NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000842109242 583575341 /nfs/dbraw/zinc/57/53/41/583575341.db2.gz IPEMGOIMXNPWCR-PHIMTYICSA-N 1 2 240.303 0.307 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CN(C)C(=O)[C@H]1C ZINC000895089988 583586223 /nfs/dbraw/zinc/58/62/23/583586223.db2.gz QQQPYHDANRALON-SECBINFHSA-N 1 2 234.303 0.592 20 0 BCADLO C[C@H](O)c1cccc(N2C[C@H]3C[C@@]3(O)C2)[nH+]1 ZINC000895157140 583607956 /nfs/dbraw/zinc/60/79/56/583607956.db2.gz PNOMNVRTUFRFAX-YGOYTEALSA-N 1 2 220.272 0.706 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nnc(C)s1 ZINC000895162717 583610968 /nfs/dbraw/zinc/61/09/68/583610968.db2.gz JKESZQPQDVMCSR-UHFFFAOYSA-N 1 2 244.320 0.346 20 0 BCADLO C[C@@H]([NH2+]Cc1ccccn1)C1N=NC(=O)N1C ZINC000895184368 583618727 /nfs/dbraw/zinc/61/87/27/583618727.db2.gz QZFCWJWCSDHXQW-MRVPVSSYSA-N 1 2 233.275 0.767 20 0 BCADLO C[C@H](O)c1cccc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000895200529 583624386 /nfs/dbraw/zinc/62/43/86/583624386.db2.gz RIYZDBUNQYNJBN-HLFFCZDVSA-N 1 2 238.287 0.431 20 0 BCADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H]2CO)c[nH+]1 ZINC000895255511 583633630 /nfs/dbraw/zinc/63/36/30/583633630.db2.gz YWMZZKQBEJZHRZ-GFCCVEGCSA-N 1 2 249.314 0.975 20 0 BCADLO CCn1ccnc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895315966 583648617 /nfs/dbraw/zinc/64/86/17/583648617.db2.gz LANLKDNSVSQGRQ-JTQLQIEISA-N 1 2 236.319 0.517 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000895321112 583649446 /nfs/dbraw/zinc/64/94/46/583649446.db2.gz LQDOIDCNGZHLOL-NSHDSACASA-N 1 2 248.330 0.444 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C(=O)NCC2(C)C)o1 ZINC000895321038 583649483 /nfs/dbraw/zinc/64/94/83/583649483.db2.gz JVYJRIBVHFWZAP-SECBINFHSA-N 1 2 223.276 0.597 20 0 BCADLO C[N@H+](C[C@@H]1CCCOC1)C1CS(=O)(=O)C1 ZINC000895397423 583664535 /nfs/dbraw/zinc/66/45/35/583664535.db2.gz HVRXUHGERXJSDB-VIFPVBQESA-N 1 2 233.333 0.142 20 0 BCADLO C[N@@H+](C[C@@H]1CCCOC1)C1CS(=O)(=O)C1 ZINC000895397423 583664536 /nfs/dbraw/zinc/66/45/36/583664536.db2.gz HVRXUHGERXJSDB-VIFPVBQESA-N 1 2 233.333 0.142 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895397110 583664641 /nfs/dbraw/zinc/66/46/41/583664641.db2.gz DNNRWXRNTFQYNV-SFYZADRCSA-N 1 2 203.307 0.371 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895397110 583664642 /nfs/dbraw/zinc/66/46/42/583664642.db2.gz DNNRWXRNTFQYNV-SFYZADRCSA-N 1 2 203.307 0.371 20 0 BCADLO COC1(C[N@H+](C)C2CS(=O)(=O)C2)CCCC1 ZINC000895398234 583665411 /nfs/dbraw/zinc/66/54/11/583665411.db2.gz NXBYHFWATBTQKB-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO COC1(C[N@@H+](C)C2CS(=O)(=O)C2)CCCC1 ZINC000895398234 583665412 /nfs/dbraw/zinc/66/54/12/583665412.db2.gz NXBYHFWATBTQKB-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000895433006 583671533 /nfs/dbraw/zinc/67/15/33/583671533.db2.gz IGBJHSFMZKTLGY-LLVKDONJSA-N 1 2 248.330 0.832 20 0 BCADLO O=C(CSC(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884396 588920636 /nfs/dbraw/zinc/92/06/36/588920636.db2.gz AQRZUJFCRHREKQ-LURJTMIESA-N 1 2 247.270 0.880 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884531 588920658 /nfs/dbraw/zinc/92/06/58/588920658.db2.gz KAPYDYXBPZHSJW-BMPPAVAUSA-N 1 2 247.298 0.659 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885602 588920694 /nfs/dbraw/zinc/92/06/94/588920694.db2.gz XFYHUGGJUAPSHG-BNFOFFDWSA-N 1 2 235.287 0.517 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CCOCC2)c[nH+]1 ZINC000895451752 583676618 /nfs/dbraw/zinc/67/66/18/583676618.db2.gz MSSLNXLFIYPPAB-UHFFFAOYSA-N 1 2 237.303 0.785 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2Cc3ccncc3C2)N1 ZINC000857882632 588920735 /nfs/dbraw/zinc/92/07/35/588920735.db2.gz WJSHFYGZQREAQE-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2Cc3ccncc3C2)N1 ZINC000857882632 588920736 /nfs/dbraw/zinc/92/07/36/588920736.db2.gz WJSHFYGZQREAQE-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO CC(C)(F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890446 588920948 /nfs/dbraw/zinc/92/09/48/588920948.db2.gz VPLZUGGYTXXZLN-ZETCQYMHSA-N 1 2 211.240 0.672 20 0 BCADLO O=CN1CCC[N@H+](Cc2nccn2C2CC2)CC1 ZINC000895472462 583680420 /nfs/dbraw/zinc/68/04/20/583680420.db2.gz GARNGHJHPXFAEH-UHFFFAOYSA-N 1 2 248.330 0.882 20 0 BCADLO O=CN1CCC[N@@H+](Cc2nccn2C2CC2)CC1 ZINC000895472462 583680421 /nfs/dbraw/zinc/68/04/21/583680421.db2.gz GARNGHJHPXFAEH-UHFFFAOYSA-N 1 2 248.330 0.882 20 0 BCADLO O=CN1CCCN(Cc2[nH+]ccn2C2CC2)CC1 ZINC000895472462 583680422 /nfs/dbraw/zinc/68/04/22/583680422.db2.gz GARNGHJHPXFAEH-UHFFFAOYSA-N 1 2 248.330 0.882 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccnc1F ZINC000857885947 588921270 /nfs/dbraw/zinc/92/12/70/588921270.db2.gz QSPVXVXBXYRVHE-MRVPVSSYSA-N 1 2 246.245 0.772 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC=CO1 ZINC000857888293 588921276 /nfs/dbraw/zinc/92/12/76/588921276.db2.gz XZDVCWONPWLHBR-KOLCDFICSA-N 1 2 233.271 0.617 20 0 BCADLO O=Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000857890098 588921317 /nfs/dbraw/zinc/92/13/17/588921317.db2.gz PUVNQUSULSUWLP-SECBINFHSA-N 1 2 244.254 0.378 20 0 BCADLO C[C@@H]1CC2(CC([NH2+]Cc3c[nH]nn3)C2)CO1 ZINC000895530000 583685327 /nfs/dbraw/zinc/68/53/27/583685327.db2.gz DFDIEKFJLUITIX-FKTRJACZSA-N 1 2 222.292 0.852 20 0 BCADLO C[C@@H]1CC2(CC([NH2+]Cc3cn[nH]n3)C2)CO1 ZINC000895530000 583685328 /nfs/dbraw/zinc/68/53/28/583685328.db2.gz DFDIEKFJLUITIX-FKTRJACZSA-N 1 2 222.292 0.852 20 0 BCADLO OCC[NH+](CCO)Cc1nccn1C1CC1 ZINC000895541705 583688826 /nfs/dbraw/zinc/68/88/26/583688826.db2.gz XHWZGWUMGDXGRA-UHFFFAOYSA-N 1 2 225.292 0.005 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)C1CSC1 ZINC000895608305 583695658 /nfs/dbraw/zinc/69/56/58/583695658.db2.gz JLCDSDQLOFPTNS-UHFFFAOYSA-N 1 2 237.328 0.973 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895653862 583701190 /nfs/dbraw/zinc/70/11/90/583701190.db2.gz OFJSQGFHSBKDCO-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895653862 583701192 /nfs/dbraw/zinc/70/11/92/583701192.db2.gz OFJSQGFHSBKDCO-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000895703226 583709735 /nfs/dbraw/zinc/70/97/35/583709735.db2.gz ATOSRODNGVECAU-DCAQKATOSA-N 1 2 237.303 0.813 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2C=CCC2)c1 ZINC000895720396 583711847 /nfs/dbraw/zinc/71/18/47/583711847.db2.gz ICQHLHLQGUBCNF-VIFPVBQESA-N 1 2 220.276 0.938 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCSC1)[C@@H](C)O ZINC000895743813 583715906 /nfs/dbraw/zinc/71/59/06/583715906.db2.gz MRBXRMTVLILBTQ-VGMNWLOBSA-N 1 2 233.333 0.252 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CS[C@@H](C)C1)[C@@H](C)O ZINC000895743310 583716077 /nfs/dbraw/zinc/71/60/77/583716077.db2.gz FXSPJQXFZAHVCE-KZVJFYERSA-N 1 2 233.333 0.392 20 0 BCADLO CSCc1n[nH]c(C[NH2+]C2CSC2)n1 ZINC000895816923 583733708 /nfs/dbraw/zinc/73/37/08/583733708.db2.gz FDBGSIIUOFBRMY-UHFFFAOYSA-N 1 2 230.362 0.873 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000895809085 583729602 /nfs/dbraw/zinc/72/96/02/583729602.db2.gz YFXVYOILWOPWCE-NSHDSACASA-N 1 2 231.255 0.968 20 0 BCADLO CSCc1nnc(C[NH2+]C2CSC2)[nH]1 ZINC000895816923 583733709 /nfs/dbraw/zinc/73/37/09/583733709.db2.gz FDBGSIIUOFBRMY-UHFFFAOYSA-N 1 2 230.362 0.873 20 0 BCADLO C[C@H](CSCCF)[NH2+][C@H]1CCOC1=O ZINC000895809517 583730367 /nfs/dbraw/zinc/73/03/67/583730367.db2.gz YFYDEDNMMYJBTF-SFYZADRCSA-N 1 2 221.297 0.983 20 0 BCADLO O=C1OCC[C@@H]1NCc1c[nH+]c2ccccn12 ZINC000895799841 583730913 /nfs/dbraw/zinc/73/09/13/583730913.db2.gz VBKDJUBFPOWMAC-JTQLQIEISA-N 1 2 231.255 0.739 20 0 BCADLO C[C@H]1CC2(CC([NH2+][C@H]3CCOC3=O)C2)CO1 ZINC000895811872 583733208 /nfs/dbraw/zinc/73/32/08/583733208.db2.gz JVFJHNXKDIGLBJ-ZSWLNHAKSA-N 1 2 225.288 0.849 20 0 BCADLO CCN(CCC(N)=O)c1cc(C)[nH+]cn1 ZINC000895887984 583739087 /nfs/dbraw/zinc/73/90/87/583739087.db2.gz WMLQBWXYVAHNAW-UHFFFAOYSA-N 1 2 208.265 0.487 20 0 BCADLO C/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965150 588925651 /nfs/dbraw/zinc/92/56/51/588925651.db2.gz GBGMPFJVAJINLE-GKQMSVHHSA-N 1 2 205.261 0.890 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cnccn2)[C@@H](C)C(=O)N1C ZINC000895922301 583746939 /nfs/dbraw/zinc/74/69/39/583746939.db2.gz RCURUFHFSCTOCO-MXWKQRLJSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cnccn2)[C@@H](C)C(=O)N1C ZINC000895922301 583746940 /nfs/dbraw/zinc/74/69/40/583746940.db2.gz RCURUFHFSCTOCO-MXWKQRLJSA-N 1 2 248.330 0.916 20 0 BCADLO Cc1nc2c(c(N3CCOCN3)[nH+]1)CCCC2 ZINC000895924479 583747143 /nfs/dbraw/zinc/74/71/43/583747143.db2.gz VOQLZUXSVKLJJF-UHFFFAOYSA-N 1 2 234.303 0.963 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccnn1 ZINC000857975498 588926220 /nfs/dbraw/zinc/92/62/20/588926220.db2.gz OIQUAKBVBFLTOC-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(F)CC1 ZINC000857973849 588926329 /nfs/dbraw/zinc/92/63/29/588926329.db2.gz CAGMYXFWVYRRPV-ZETCQYMHSA-N 1 2 209.224 0.946 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)C(=O)OC(C)(C)C ZINC000895951769 583751619 /nfs/dbraw/zinc/75/16/19/583751619.db2.gz BJDXXGLCVILYAQ-OPRDCNLKSA-N 1 2 245.319 0.456 20 0 BCADLO Cn1ccc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)n1 ZINC000895976870 583753137 /nfs/dbraw/zinc/75/31/37/583753137.db2.gz BJABQQDNPUSJIV-VIFPVBQESA-N 1 2 243.332 0.085 20 0 BCADLO CCn1c[nH+]cc1CN1CCO[C@@H](OC)C1 ZINC000895964557 583753817 /nfs/dbraw/zinc/75/38/17/583753817.db2.gz XZFRXNUMSWLKTQ-LLVKDONJSA-N 1 2 225.292 0.708 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977945 588926705 /nfs/dbraw/zinc/92/67/05/588926705.db2.gz JRTOSXZQKYBXGG-DJLDLDEBSA-N 1 2 249.270 0.253 20 0 BCADLO Cc1nnc(C(=O)N[C@H]2CCn3c[nH+]cc32)s1 ZINC000857977379 588926797 /nfs/dbraw/zinc/92/67/97/588926797.db2.gz DBCLBLJYEHUJFA-ZETCQYMHSA-N 1 2 249.299 0.918 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ncc[nH]1 ZINC000857977748 588926883 /nfs/dbraw/zinc/92/68/83/588926883.db2.gz ZGOMIZUGOFHMKS-ZETCQYMHSA-N 1 2 217.232 0.481 20 0 BCADLO COC(=O)C1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857981035 588927230 /nfs/dbraw/zinc/92/72/30/588927230.db2.gz WDVIBWKQUPFODG-MRVPVSSYSA-N 1 2 249.270 0.397 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978988 588927291 /nfs/dbraw/zinc/92/72/91/588927291.db2.gz RSPXPCKFZLXMBH-WPRPVWTQSA-N 1 2 234.259 0.609 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979149 588927349 /nfs/dbraw/zinc/92/73/49/588927349.db2.gz NMJUZZAEXFBAFV-PSASIEDQSA-N 1 2 223.276 0.461 20 0 BCADLO CCn1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857979590 588927371 /nfs/dbraw/zinc/92/73/71/588927371.db2.gz WTTIIYLSJXEOJP-MRVPVSSYSA-N 1 2 246.274 0.369 20 0 BCADLO C[C@](O)(CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857980945 588927385 /nfs/dbraw/zinc/92/73/85/588927385.db2.gz TUDQVKPORRTJRK-GWCFXTLKSA-N 1 2 249.314 0.995 20 0 BCADLO COc1nccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1F ZINC000896022754 583764476 /nfs/dbraw/zinc/76/44/76/583764476.db2.gz WYGYCMHEQVCNGP-CABZTGNLSA-N 1 2 238.262 0.796 20 0 BCADLO COc1nccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1F ZINC000896022754 583764477 /nfs/dbraw/zinc/76/44/77/583764477.db2.gz WYGYCMHEQVCNGP-CABZTGNLSA-N 1 2 238.262 0.796 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979866 588927584 /nfs/dbraw/zinc/92/75/84/588927584.db2.gz GEDZQUSWTHHANV-LPEHRKFASA-N 1 2 235.287 0.869 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCOC1 ZINC000857981692 588927941 /nfs/dbraw/zinc/92/79/41/588927941.db2.gz IOTCMYSWZZPLLW-SKDRFNHKSA-N 1 2 235.287 0.871 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000896156652 583775954 /nfs/dbraw/zinc/77/59/54/583775954.db2.gz URISBQCPYIDBDW-RKDXNWHRSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000896156649 583776212 /nfs/dbraw/zinc/77/62/12/583776212.db2.gz URISBQCPYIDBDW-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000896156644 583776231 /nfs/dbraw/zinc/77/62/31/583776231.db2.gz URISBQCPYIDBDW-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cn[nH]c1 ZINC000857984644 588928723 /nfs/dbraw/zinc/92/87/23/588928723.db2.gz CVUSTAOOSINXAC-MRVPVSSYSA-N 1 2 217.232 0.481 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987173 588929052 /nfs/dbraw/zinc/92/90/52/588929052.db2.gz VOUVUHSOBVNOTG-BDAKNGLRSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(O)CCCC1 ZINC000857987326 588929061 /nfs/dbraw/zinc/92/90/61/588929061.db2.gz UCFMYHNXCRPGMC-VIFPVBQESA-N 1 2 235.287 0.749 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896218272 583783756 /nfs/dbraw/zinc/78/37/56/583783756.db2.gz KLEFTSQMCDXEAM-JDNHERCYSA-N 1 2 246.376 0.354 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896218272 583783758 /nfs/dbraw/zinc/78/37/58/583783758.db2.gz KLEFTSQMCDXEAM-JDNHERCYSA-N 1 2 246.376 0.354 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)n(C)n1 ZINC000857987212 588929202 /nfs/dbraw/zinc/92/92/02/588929202.db2.gz WFESFWQSYGBTNA-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cc1nnsc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988236 588929429 /nfs/dbraw/zinc/92/94/29/588929429.db2.gz HGLODWGRRAQRJC-SSDOTTSWSA-N 1 2 249.299 0.918 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987535 588929487 /nfs/dbraw/zinc/92/94/87/588929487.db2.gz VDNCDVPUWWHJHH-JOYOIKCWSA-N 1 2 237.303 0.995 20 0 BCADLO Cc1nccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857987219 588929495 /nfs/dbraw/zinc/92/94/95/588929495.db2.gz WIGFWOANRLNABQ-SECBINFHSA-N 1 2 243.270 0.856 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987177 588929509 /nfs/dbraw/zinc/92/95/09/588929509.db2.gz VOUVUHSOBVNOTG-RKDXNWHRSA-N 1 2 223.276 0.869 20 0 BCADLO Cc1nccc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857987220 588929549 /nfs/dbraw/zinc/92/95/49/588929549.db2.gz WIGFWOANRLNABQ-VIFPVBQESA-N 1 2 243.270 0.856 20 0 BCADLO CCOC(=O)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989887 588929950 /nfs/dbraw/zinc/92/99/50/588929950.db2.gz RDVROIJFKVKMGF-QMMMGPOBSA-N 1 2 237.259 0.397 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989700 588930060 /nfs/dbraw/zinc/93/00/60/588930060.db2.gz SWYAJXAHOYPWOS-SECBINFHSA-N 1 2 231.259 0.341 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896546772 583809475 /nfs/dbraw/zinc/80/94/75/583809475.db2.gz WYKMYBFBFBODJE-WRWGMCAJSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896546772 583809477 /nfs/dbraw/zinc/80/94/77/583809477.db2.gz WYKMYBFBFBODJE-WRWGMCAJSA-N 1 2 239.363 0.393 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896549266 583810077 /nfs/dbraw/zinc/81/00/77/583810077.db2.gz QXIJQNTYFYSVQJ-QMMMGPOBSA-N 1 2 235.247 0.463 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896549266 583810079 /nfs/dbraw/zinc/81/00/79/583810079.db2.gz QXIJQNTYFYSVQJ-QMMMGPOBSA-N 1 2 235.247 0.463 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896550040 583810464 /nfs/dbraw/zinc/81/04/64/583810464.db2.gz WYKMYBFBFBODJE-USZNOCQGSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896550040 583810466 /nfs/dbraw/zinc/81/04/66/583810466.db2.gz WYKMYBFBFBODJE-USZNOCQGSA-N 1 2 239.363 0.393 20 0 BCADLO Cc1cc(N[C@@H]2CCc3nnn(C)c3C2)nc[nH+]1 ZINC000896674885 583822391 /nfs/dbraw/zinc/82/23/91/583822391.db2.gz QNJRNUIORWAPHG-SECBINFHSA-N 1 2 244.302 0.883 20 0 BCADLO C[NH+](C)C1(c2nc(-c3cc(=O)[nH]cn3)no2)CC1 ZINC000896702213 583823307 /nfs/dbraw/zinc/82/33/07/583823307.db2.gz XLHIZFLUCXGDPO-UHFFFAOYSA-N 1 2 247.258 0.783 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1cn[nH]c1C ZINC000896714328 583826404 /nfs/dbraw/zinc/82/64/04/583826404.db2.gz BJWHNKWGHIEPGJ-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1cn[nH]c1C ZINC000896714328 583826405 /nfs/dbraw/zinc/82/64/05/583826405.db2.gz BJWHNKWGHIEPGJ-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)CC(=O)NC(C)C ZINC000214612899 583828535 /nfs/dbraw/zinc/82/85/35/583828535.db2.gz JEDLKTWLSDRVEO-POHAHGRESA-N 1 2 242.319 0.562 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)CC(=O)NC(C)C ZINC000214612899 583828537 /nfs/dbraw/zinc/82/85/37/583828537.db2.gz JEDLKTWLSDRVEO-POHAHGRESA-N 1 2 242.319 0.562 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000896925796 583858032 /nfs/dbraw/zinc/85/80/32/583858032.db2.gz ADCDLCQWHQJDMW-RNFRBKRXSA-N 1 2 204.295 0.148 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H]2COCCO2)[nH+]c1C ZINC000896922910 583856920 /nfs/dbraw/zinc/85/69/20/583856920.db2.gz YVJXEOJBOUURCH-VIFPVBQESA-N 1 2 239.275 0.058 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCCSCC1 ZINC000896924508 583857527 /nfs/dbraw/zinc/85/75/27/583857527.db2.gz MYERHIZAYBOGRS-MRVPVSSYSA-N 1 2 218.322 0.539 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000896925797 583858027 /nfs/dbraw/zinc/85/80/27/583858027.db2.gz ADCDLCQWHQJDMW-RQJHMYQMSA-N 1 2 204.295 0.148 20 0 BCADLO CONC(=O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000896925561 583858201 /nfs/dbraw/zinc/85/82/01/583858201.db2.gz ZFPFRLPDUZVYIK-BBBLOLIVSA-N 1 2 212.293 0.690 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CC1CCOCC1 ZINC000896928214 583859422 /nfs/dbraw/zinc/85/94/22/583859422.db2.gz XVHIYFSCDVVJNO-SECBINFHSA-N 1 2 230.308 0.459 20 0 BCADLO CC[C@H](C[N@H+](C)CCS(=O)(=O)CC)OC ZINC000842153483 583861149 /nfs/dbraw/zinc/86/11/49/583861149.db2.gz NQLUEDGWNWPIFP-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO CC[C@H](C[N@@H+](C)CCS(=O)(=O)CC)OC ZINC000842153483 583861150 /nfs/dbraw/zinc/86/11/50/583861150.db2.gz NQLUEDGWNWPIFP-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000897084518 583877895 /nfs/dbraw/zinc/87/78/95/583877895.db2.gz GQHUZBCGYXLUHE-SBMIAAHKSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000897084518 583877896 /nfs/dbraw/zinc/87/78/96/583877896.db2.gz GQHUZBCGYXLUHE-SBMIAAHKSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)c1[nH+]cnc2c1cnn2C ZINC000897144715 583885741 /nfs/dbraw/zinc/88/57/41/583885741.db2.gz MYUXAZUWKCFAMH-UWVGGRQHSA-N 1 2 247.302 0.977 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1cnn(CC)n1 ZINC000858205828 588938407 /nfs/dbraw/zinc/93/84/07/588938407.db2.gz DMIJBYPKPGEEMI-UHFFFAOYSA-N 1 2 248.334 0.884 20 0 BCADLO Cn1cc(NC(=O)NCc2c[nH+]cn2C)cn1 ZINC000349931981 583901636 /nfs/dbraw/zinc/90/16/36/583901636.db2.gz IDPFGUVOONVOGS-UHFFFAOYSA-N 1 2 234.263 0.475 20 0 BCADLO Cn1nnnc1CCCNc1cccc[nH+]1 ZINC000897251774 583903382 /nfs/dbraw/zinc/90/33/82/583903382.db2.gz DIIWGGUFPNDTFW-UHFFFAOYSA-N 1 2 218.264 0.650 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC2(CC(F)C2)C1 ZINC000866928771 583916067 /nfs/dbraw/zinc/91/60/67/583916067.db2.gz RMOWIPJVMSLCDM-SECBINFHSA-N 1 2 239.250 0.404 20 0 BCADLO Cn1ncc(C(=O)N2CC[NH+](C)CC2)c1Cl ZINC000143677044 583924451 /nfs/dbraw/zinc/92/44/51/583924451.db2.gz ZSNSAKXZISJGJE-UHFFFAOYSA-N 1 2 242.710 0.461 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nccs1 ZINC000858325437 588942988 /nfs/dbraw/zinc/94/29/88/588942988.db2.gz XZLNQBKQCBKSFD-SSDOTTSWSA-N 1 2 229.305 0.641 20 0 BCADLO CC(C)C1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866935142 583940455 /nfs/dbraw/zinc/94/04/55/583940455.db2.gz TZKJXMBCSVKHFM-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](CC(=O)NC(C)C)C1 ZINC000752090970 583944896 /nfs/dbraw/zinc/94/48/96/583944896.db2.gz XEUHALBIELWPAS-LLVKDONJSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000752090970 583944897 /nfs/dbraw/zinc/94/48/97/583944897.db2.gz XEUHALBIELWPAS-LLVKDONJSA-N 1 2 246.282 0.098 20 0 BCADLO CC(C)CONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858314579 588944473 /nfs/dbraw/zinc/94/44/73/588944473.db2.gz VPAZSPIKDJWYPB-SNVBAGLBSA-N 1 2 245.323 0.204 20 0 BCADLO CC(C)CONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858314579 588944474 /nfs/dbraw/zinc/94/44/74/588944474.db2.gz VPAZSPIKDJWYPB-SNVBAGLBSA-N 1 2 245.323 0.204 20 0 BCADLO CCn1ccnc1C[NH2+][C@H](C)C(=O)N(C)OC ZINC000858325309 588945650 /nfs/dbraw/zinc/94/56/50/588945650.db2.gz VJZLZKLDXMGKNG-SECBINFHSA-N 1 2 240.307 0.401 20 0 BCADLO CCONC(=O)NCCCCn1cc[nH+]c1 ZINC000729223554 583974225 /nfs/dbraw/zinc/97/42/25/583974225.db2.gz OJUQMSWYVVAEQP-UHFFFAOYSA-N 1 2 226.280 0.914 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H]3CO)ccn12 ZINC000889156879 583981283 /nfs/dbraw/zinc/98/12/83/583981283.db2.gz HGZCLYXTUOFIEO-NSHDSACASA-N 1 2 245.282 0.850 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@H]1CO)n1cc[nH+]c1 ZINC000889158281 583982639 /nfs/dbraw/zinc/98/26/39/583982639.db2.gz ZNPNCDQQDLVBKS-UWVGGRQHSA-N 1 2 223.276 0.427 20 0 BCADLO CC(C)=CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729384830 583996705 /nfs/dbraw/zinc/99/67/05/583996705.db2.gz DCAZGZFGFCBVCT-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729384830 583996707 /nfs/dbraw/zinc/99/67/07/583996707.db2.gz DCAZGZFGFCBVCT-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CNC(=S)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729646830 584021108 /nfs/dbraw/zinc/02/11/08/584021108.db2.gz DANQKKJLIYIMQC-RKDXNWHRSA-N 1 2 231.365 0.190 20 0 BCADLO C[C@@H](O)c1ccc(N2C[C@H](O)C[C@H](O)C2)[nH+]c1 ZINC000865577647 584024287 /nfs/dbraw/zinc/02/42/87/584024287.db2.gz MXNLJWKVQUUSIH-IEBDPFPHSA-N 1 2 238.287 0.067 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@](C)(CO)COC)n1 ZINC000865672112 584025606 /nfs/dbraw/zinc/02/56/06/584025606.db2.gz NNKHFOSMXWNCIZ-LLVKDONJSA-N 1 2 242.323 0.093 20 0 BCADLO O=C1NCCC2(C[NH+](C[C@H]3CCC=CO3)C2)O1 ZINC000897751536 584043317 /nfs/dbraw/zinc/04/33/17/584043317.db2.gz PZECFZYBGMTADE-SNVBAGLBSA-N 1 2 238.287 0.863 20 0 BCADLO Cc1nn(C)cc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897785996 584048246 /nfs/dbraw/zinc/04/82/46/584048246.db2.gz FMNUFRKUXUMDTR-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO CCC[C@@H]([NH2+][C@@H](C)COC(C)=O)C(=O)OC ZINC000897833520 584052784 /nfs/dbraw/zinc/05/27/84/584052784.db2.gz NNIHDBCYSZBAQR-WCBMZHEXSA-N 1 2 231.292 0.869 20 0 BCADLO CCC[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OC ZINC000897834698 584053119 /nfs/dbraw/zinc/05/31/19/584053119.db2.gz WTMBYMLAEZKSDZ-VHSXEESVSA-N 1 2 242.319 0.586 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@]1(C)CCNC1=O ZINC000897868099 584055224 /nfs/dbraw/zinc/05/52/24/584055224.db2.gz GKTIJPAXJGKDQI-LLVKDONJSA-N 1 2 237.307 0.227 20 0 BCADLO Cc1cnc(C[NH2+][C@@]2(C)CCNC2=O)s1 ZINC000897868840 584055307 /nfs/dbraw/zinc/05/53/07/584055307.db2.gz NCIFEMZAWWRGAK-JTQLQIEISA-N 1 2 225.317 0.820 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@]2(C)CCNC2=O)n1 ZINC000897870077 584056092 /nfs/dbraw/zinc/05/60/92/584056092.db2.gz XEPAQRZFDTXXQI-SNVBAGLBSA-N 1 2 208.265 0.086 20 0 BCADLO CC(C)n1[nH]cnc1=NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897985368 584072335 /nfs/dbraw/zinc/07/23/35/584072335.db2.gz KEUUTQNYSDOPBA-VIFPVBQESA-N 1 2 237.307 0.314 20 0 BCADLO CC(C)n1[nH]cnc1=NC(=O)[C@@H]1CCC[N@H+]1C ZINC000897985368 584072336 /nfs/dbraw/zinc/07/23/36/584072336.db2.gz KEUUTQNYSDOPBA-VIFPVBQESA-N 1 2 237.307 0.314 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206591 584091651 /nfs/dbraw/zinc/09/16/51/584091651.db2.gz QRZHHMXAPMXIFO-NSHDSACASA-N 1 2 209.293 0.969 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898188586 584093857 /nfs/dbraw/zinc/09/38/57/584093857.db2.gz NYTMKPYCIWMKPU-MWLCHTKSSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898188586 584093858 /nfs/dbraw/zinc/09/38/58/584093858.db2.gz NYTMKPYCIWMKPU-MWLCHTKSSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898194483 584096194 /nfs/dbraw/zinc/09/61/94/584096194.db2.gz ZWDUVUBJOKUZOZ-UWVGGRQHSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898194483 584096196 /nfs/dbraw/zinc/09/61/96/584096196.db2.gz ZWDUVUBJOKUZOZ-UWVGGRQHSA-N 1 2 213.256 0.623 20 0 BCADLO CCn1cc(C[N@H+](CCO)CCCOC)nn1 ZINC000898254996 584101816 /nfs/dbraw/zinc/10/18/16/584101816.db2.gz HZLUJBVVVIPZSY-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCn1cc(C[N@@H+](CCO)CCCOC)nn1 ZINC000898254996 584101817 /nfs/dbraw/zinc/10/18/17/584101817.db2.gz HZLUJBVVVIPZSY-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H]2CO)c1 ZINC000889164981 584117743 /nfs/dbraw/zinc/11/77/43/584117743.db2.gz POIMGTNZJJIEPH-VMZHVLLKSA-N 1 2 221.260 0.027 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)C(F)F)CCO1 ZINC000787287010 584117974 /nfs/dbraw/zinc/11/79/74/584117974.db2.gz QGUFOWRNHLELGV-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)C(F)F)CCO1 ZINC000787287010 584117977 /nfs/dbraw/zinc/11/79/77/584117977.db2.gz QGUFOWRNHLELGV-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO O=C1OCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000745946400 584124459 /nfs/dbraw/zinc/12/44/59/584124459.db2.gz CDYGFUSEUJSANV-AOOOYVTPSA-N 1 2 226.276 0.302 20 0 BCADLO O=C1OCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000745946400 584124460 /nfs/dbraw/zinc/12/44/60/584124460.db2.gz CDYGFUSEUJSANV-AOOOYVTPSA-N 1 2 226.276 0.302 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898492577 584139854 /nfs/dbraw/zinc/13/98/54/584139854.db2.gz WEHYMAORUAQPHC-NSHDSACASA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898492577 584139857 /nfs/dbraw/zinc/13/98/57/584139857.db2.gz WEHYMAORUAQPHC-NSHDSACASA-N 1 2 246.326 0.962 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494480 584140031 /nfs/dbraw/zinc/14/00/31/584140031.db2.gz LNRVSLPCOMUCGL-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494480 584140032 /nfs/dbraw/zinc/14/00/32/584140032.db2.gz LNRVSLPCOMUCGL-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000898579382 584142750 /nfs/dbraw/zinc/14/27/50/584142750.db2.gz QQPHPNWLAWLLDP-WPRPVWTQSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000898579382 584142752 /nfs/dbraw/zinc/14/27/52/584142752.db2.gz QQPHPNWLAWLLDP-WPRPVWTQSA-N 1 2 223.276 0.793 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000898616406 584145079 /nfs/dbraw/zinc/14/50/79/584145079.db2.gz ZKTZBSQDOBJVAZ-DTORHVGOSA-N 1 2 220.276 0.581 20 0 BCADLO C[C@H]1CN(c2nccnc2F)CC[N@@H+]1CCO ZINC000858492362 588960558 /nfs/dbraw/zinc/96/05/58/588960558.db2.gz WHRPOGHPLAXDBE-VIFPVBQESA-N 1 2 240.282 0.119 20 0 BCADLO C[C@H]1CN(c2nccnc2F)CC[N@H+]1CCO ZINC000858492362 588960559 /nfs/dbraw/zinc/96/05/59/588960559.db2.gz WHRPOGHPLAXDBE-VIFPVBQESA-N 1 2 240.282 0.119 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619427 584147518 /nfs/dbraw/zinc/14/75/18/584147518.db2.gz JNZPSNGVJCRECK-PSASIEDQSA-N 1 2 238.291 0.085 20 0 BCADLO CO[C@@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898626193 584147543 /nfs/dbraw/zinc/14/75/43/584147543.db2.gz CBFFBERJYGUIMO-SNVBAGLBSA-N 1 2 238.291 0.350 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCCCO2)c1 ZINC000898621548 584147676 /nfs/dbraw/zinc/14/76/76/584147676.db2.gz NKKOSQQTPLNVQY-UHFFFAOYSA-N 1 2 224.264 0.657 20 0 BCADLO CO[C@H](C)CN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898619148 584147762 /nfs/dbraw/zinc/14/77/62/584147762.db2.gz CEYHFPDPUMXIMZ-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H](O)C1 ZINC000898811754 584159969 /nfs/dbraw/zinc/15/99/69/584159969.db2.gz WJFIFJPTGVYRQE-YIZRAAEISA-N 1 2 221.260 0.215 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(C)(C)C ZINC000898884113 584163925 /nfs/dbraw/zinc/16/39/25/584163925.db2.gz OTDJVGSBXLQBKJ-MRVPVSSYSA-N 1 2 225.292 0.616 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898881286 584164622 /nfs/dbraw/zinc/16/46/22/584164622.db2.gz KBRACGMWITZYRI-HLTSFMKQSA-N 1 2 223.276 0.226 20 0 BCADLO CCCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898881285 584164821 /nfs/dbraw/zinc/16/48/21/584164821.db2.gz JZYLSZYNXCTAMR-VIFPVBQESA-N 1 2 225.292 0.760 20 0 BCADLO Cc1coc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC000898895404 584165333 /nfs/dbraw/zinc/16/53/33/584165333.db2.gz HYOMIKJOMKBUIU-SECBINFHSA-N 1 2 249.270 0.785 20 0 BCADLO O=C(NC/C=C/Cl)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000899033160 584171570 /nfs/dbraw/zinc/17/15/70/584171570.db2.gz SIGZTIOSHCQZOA-FHKCNRDCSA-N 1 2 240.694 0.860 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@]12C[C@H]1COC2 ZINC000899246104 584187127 /nfs/dbraw/zinc/18/71/27/584187127.db2.gz LRAZJDWOQBWPJK-CABZTGNLSA-N 1 2 235.287 0.258 20 0 BCADLO CCn1cc(CN(C)Cc2c[nH+]c[nH]2)nn1 ZINC000899882437 584246880 /nfs/dbraw/zinc/24/68/80/584246880.db2.gz JZNVLRGDXPIWNN-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCn1cc(CN(C)Cc2c[nH]c[nH+]2)nn1 ZINC000899882437 584246882 /nfs/dbraw/zinc/24/68/82/584246882.db2.gz JZNVLRGDXPIWNN-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)nn1 ZINC000899888290 584247748 /nfs/dbraw/zinc/24/77/48/584247748.db2.gz HEUYKCKBBUSRHK-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](O)CC(C)(C)C2)nn1 ZINC000899888290 584247749 /nfs/dbraw/zinc/24/77/49/584247749.db2.gz HEUYKCKBBUSRHK-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCc1nnc(C(=O)N2CC[NH+](C)CC2)s1 ZINC000899904291 584250720 /nfs/dbraw/zinc/25/07/20/584250720.db2.gz IGZGIUQZSYSMQV-UHFFFAOYSA-N 1 2 240.332 0.488 20 0 BCADLO CC(=O)c1cn(C2C[NH+](CC(C)(C)O)C2)nn1 ZINC000899912807 584253828 /nfs/dbraw/zinc/25/38/28/584253828.db2.gz QJYRBFJCEVZKRU-UHFFFAOYSA-N 1 2 238.291 0.108 20 0 BCADLO CCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899932172 584256285 /nfs/dbraw/zinc/25/62/85/584256285.db2.gz FRMGIWHKLOLMJW-LUAWRHEFSA-N 1 2 226.320 0.791 20 0 BCADLO CC(C)(CNC(=O)CCF)[NH+]1CCOCC1 ZINC000899957706 584260434 /nfs/dbraw/zinc/26/04/34/584260434.db2.gz ALDRLBZDXGUAHR-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCCOCC1CC1 ZINC000900002407 584263048 /nfs/dbraw/zinc/26/30/48/584263048.db2.gz MTZSNLZVGKDXSS-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCCOCC1CC1 ZINC000900002407 584263049 /nfs/dbraw/zinc/26/30/49/584263049.db2.gz MTZSNLZVGKDXSS-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C/C(=C\C(=O)N1CCC1)C[NH+]1CCOCC1 ZINC000900008056 584264764 /nfs/dbraw/zinc/26/47/64/584264764.db2.gz YIHLBYUCNQWDDD-PKNBQFBNSA-N 1 2 224.304 0.497 20 0 BCADLO C/C(=C\C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900100409 584273783 /nfs/dbraw/zinc/27/37/83/584273783.db2.gz DVCJMMMEPDUKRB-CSKARUKUSA-N 1 2 212.293 0.353 20 0 BCADLO C/C(=C/C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900100496 584274537 /nfs/dbraw/zinc/27/45/37/584274537.db2.gz DVCJMMMEPDUKRB-NTMALXAHSA-N 1 2 212.293 0.353 20 0 BCADLO COC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900120596 584275335 /nfs/dbraw/zinc/27/53/35/584275335.db2.gz BLKJBIBKXQOONL-VIFPVBQESA-N 1 2 237.259 0.116 20 0 BCADLO C[C@@H]1C(=O)N(Cc2cn(C)c[nH+]2)C(=O)N1C ZINC000900158199 584280679 /nfs/dbraw/zinc/28/06/79/584280679.db2.gz RDQNXFPZXJACID-SSDOTTSWSA-N 1 2 222.248 0.203 20 0 BCADLO Cc1n[nH]cc1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900186869 584284190 /nfs/dbraw/zinc/28/41/90/584284190.db2.gz BOHLXIUIWMHGEG-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000900216384 584286339 /nfs/dbraw/zinc/28/63/39/584286339.db2.gz UNSBMEKPOIVJES-DCAQKATOSA-N 1 2 239.319 0.795 20 0 BCADLO Cn1cc(CNC(=O)CNc2cccc[nH+]2)cn1 ZINC000900339903 584294404 /nfs/dbraw/zinc/29/44/04/584294404.db2.gz TUEFPYQICGBWMN-UHFFFAOYSA-N 1 2 245.286 0.543 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900455317 584313520 /nfs/dbraw/zinc/31/35/20/584313520.db2.gz QXKQSLPYYDYZOH-NKWVEPMBSA-N 1 2 235.243 0.150 20 0 BCADLO COCc1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000900570497 584327010 /nfs/dbraw/zinc/32/70/10/584327010.db2.gz CJPLZLPJSFAHDF-UHFFFAOYSA-N 1 2 247.302 0.934 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900647837 584335269 /nfs/dbraw/zinc/33/52/69/584335269.db2.gz SYKNKYHFFSAVBH-YEZKRMTDSA-N 1 2 237.303 0.786 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646445 584335333 /nfs/dbraw/zinc/33/53/33/584335333.db2.gz DEESFVRBSHYAOU-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000900659233 584336758 /nfs/dbraw/zinc/33/67/58/584336758.db2.gz MGVLAQHBOZTHDY-KOLCDFICSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900667091 584337823 /nfs/dbraw/zinc/33/78/23/584337823.db2.gz YOKWQRRVZCKQRF-JGVFFNPUSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)(O)[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670332 584339811 /nfs/dbraw/zinc/33/98/11/584339811.db2.gz GFUCQJWDFWJXDA-SNVBAGLBSA-N 1 2 249.270 0.405 20 0 BCADLO CCn1cc(CN(C)C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900712409 584343923 /nfs/dbraw/zinc/34/39/23/584343923.db2.gz SOYRQXHJFFLZFC-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO C/C=C/[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716249 584344584 /nfs/dbraw/zinc/34/45/84/584344584.db2.gz GLCGMRZXSOCBJE-VMZHVLLKSA-N 1 2 221.260 0.203 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000900754532 584345446 /nfs/dbraw/zinc/34/54/46/584345446.db2.gz KMMIJLSDQONUCT-ZYVOWACSSA-N 1 2 249.314 0.937 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cnc(F)cn1 ZINC000858769175 588976459 /nfs/dbraw/zinc/97/64/59/588976459.db2.gz AHWPZLFMLHSACB-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cnc(F)cn1 ZINC000858769175 588976461 /nfs/dbraw/zinc/97/64/61/588976461.db2.gz AHWPZLFMLHSACB-MRVPVSSYSA-N 1 2 226.255 0.358 20 0 BCADLO C[C@@H]1CSCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900783086 584350880 /nfs/dbraw/zinc/35/08/80/584350880.db2.gz LOTCLDVBLKQPRX-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]2CCO[C@@H]21 ZINC000900817376 584354071 /nfs/dbraw/zinc/35/40/71/584354071.db2.gz MZOMVURVXYOPAM-JLLWLGSASA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H]2CCO[C@@H]21 ZINC000900817376 584354073 /nfs/dbraw/zinc/35/40/73/584354073.db2.gz MZOMVURVXYOPAM-JLLWLGSASA-N 1 2 249.314 0.882 20 0 BCADLO CC[C@H](C(=O)NCc1cn(C)c[nH+]1)[C@H](C)O ZINC000900830087 584355275 /nfs/dbraw/zinc/35/52/75/584355275.db2.gz RTMBNCGMEABJIB-WPRPVWTQSA-N 1 2 225.292 0.443 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900833818 584355579 /nfs/dbraw/zinc/35/55/79/584355579.db2.gz ZDGHTVFIPBDFGE-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900833818 584355582 /nfs/dbraw/zinc/35/55/82/584355582.db2.gz ZDGHTVFIPBDFGE-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(C(F)(F)F)C1 ZINC000900879254 584360115 /nfs/dbraw/zinc/36/01/15/584360115.db2.gz PBIFNZAUKDVKDF-UHFFFAOYSA-N 1 2 233.193 0.973 20 0 BCADLO CON(C)C(=O)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000858833764 588977976 /nfs/dbraw/zinc/97/79/76/588977976.db2.gz HJCPAAKUSGNBMM-ZETCQYMHSA-N 1 2 224.264 0.605 20 0 BCADLO CCc1cc(N[C@H](C)C(=O)N(C)OC)nc[nH+]1 ZINC000858842896 588978549 /nfs/dbraw/zinc/97/85/49/588978549.db2.gz YOBVGYOEBPBNRG-MRVPVSSYSA-N 1 2 238.291 0.859 20 0 BCADLO CC1(C)OC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000901045203 584376965 /nfs/dbraw/zinc/37/69/65/584376965.db2.gz NNYNDLJEUQWNRO-SECBINFHSA-N 1 2 239.275 0.220 20 0 BCADLO CC1(C)OC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)O1 ZINC000901045203 584376968 /nfs/dbraw/zinc/37/69/68/584376968.db2.gz NNYNDLJEUQWNRO-SECBINFHSA-N 1 2 239.275 0.220 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901072066 584377833 /nfs/dbraw/zinc/37/78/33/584377833.db2.gz CDBZPZKQOPZERR-WCBMZHEXSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901072066 584377834 /nfs/dbraw/zinc/37/78/34/584377834.db2.gz CDBZPZKQOPZERR-WCBMZHEXSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](O)CCNC(=O)CNc1cccc[nH+]1 ZINC000901090959 584383746 /nfs/dbraw/zinc/38/37/46/584383746.db2.gz DPVSTFUJCKRUHS-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO COCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000901106607 584388700 /nfs/dbraw/zinc/38/87/00/584388700.db2.gz WHTTVYKGMJTIBX-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO COCC1(NC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901106607 584388703 /nfs/dbraw/zinc/38/87/03/584388703.db2.gz WHTTVYKGMJTIBX-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO COCCC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000901136672 584389604 /nfs/dbraw/zinc/38/96/04/584389604.db2.gz ZPWXWCSSLWMMOQ-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COCCC1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901136672 584389605 /nfs/dbraw/zinc/38/96/05/584389605.db2.gz ZPWXWCSSLWMMOQ-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CC(C)(CO)CNC(=O)CNc1cccc[nH+]1 ZINC000901146493 584390976 /nfs/dbraw/zinc/39/09/76/584390976.db2.gz SUVAASVDQOMUHA-UHFFFAOYSA-N 1 2 237.303 0.628 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000901172281 584395651 /nfs/dbraw/zinc/39/56/51/584395651.db2.gz BIYXIMQGGGXVGC-VIFPVBQESA-N 1 2 235.287 0.977 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000901202033 584398957 /nfs/dbraw/zinc/39/89/57/584398957.db2.gz ABBVDQURCVVYSD-WZQADMAKSA-N 1 2 249.314 0.673 20 0 BCADLO CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000901207127 584399956 /nfs/dbraw/zinc/39/99/56/584399956.db2.gz MVHHIIHTHQDMMT-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000901211748 584400911 /nfs/dbraw/zinc/40/09/11/584400911.db2.gz HBTISYDHJLNEQR-VIFPVBQESA-N 1 2 225.317 0.916 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC1(CO)CCCC1 ZINC000901221713 584410663 /nfs/dbraw/zinc/41/06/63/584410663.db2.gz MQPKFWVYWWNZLA-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC1(CO)CCCC1 ZINC000901221713 584410664 /nfs/dbraw/zinc/41/06/64/584410664.db2.gz MQPKFWVYWWNZLA-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO COC1(C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901274720 584413042 /nfs/dbraw/zinc/41/30/42/584413042.db2.gz YQNHGPVASUFOTJ-UHFFFAOYSA-N 1 2 235.287 0.741 20 0 BCADLO CCc1nnc([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000901253623 584415983 /nfs/dbraw/zinc/41/59/83/584415983.db2.gz CUIMTQYSINZIFY-SSDOTTSWSA-N 1 2 248.290 0.510 20 0 BCADLO O=C(CNc1cccc[nH+]1)N(CCCO)C1CC1 ZINC000901256755 584416296 /nfs/dbraw/zinc/41/62/96/584416296.db2.gz MIEATDJMHBNVKC-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901330174 584424480 /nfs/dbraw/zinc/42/44/80/584424480.db2.gz POOZCTPVSGASRD-MWLCHTKSSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901330174 584424481 /nfs/dbraw/zinc/42/44/81/584424481.db2.gz POOZCTPVSGASRD-MWLCHTKSSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCOC1 ZINC000901316419 584429342 /nfs/dbraw/zinc/42/93/42/584429342.db2.gz WTUNVJWZLFRDNY-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO C[C@]1(NC(=O)Cc2c[nH+]c[nH]2)CCCOC1 ZINC000901316419 584429344 /nfs/dbraw/zinc/42/93/44/584429344.db2.gz WTUNVJWZLFRDNY-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)C(=O)OC ZINC000901563187 584463314 /nfs/dbraw/zinc/46/33/14/584463314.db2.gz OEMPQMHLKSTXLM-LLVKDONJSA-N 1 2 239.319 0.812 20 0 BCADLO CCCOC(=O)N(C)CC[NH+]1CCOCC1 ZINC000858935154 588986238 /nfs/dbraw/zinc/98/62/38/588986238.db2.gz FJCFNWARHUVHBC-UHFFFAOYSA-N 1 2 230.308 0.797 20 0 BCADLO C[N@H+](C[C@H]1CCCO1)CN1CCOC1=O ZINC000902139415 584526786 /nfs/dbraw/zinc/52/67/86/584526786.db2.gz PZIRTHUGBFWBLP-SECBINFHSA-N 1 2 214.265 0.507 20 0 BCADLO C[N@@H+](C[C@H]1CCCO1)CN1CCOC1=O ZINC000902139415 584526788 /nfs/dbraw/zinc/52/67/88/584526788.db2.gz PZIRTHUGBFWBLP-SECBINFHSA-N 1 2 214.265 0.507 20 0 BCADLO C[N@H+](CCn1cccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902126186 584529308 /nfs/dbraw/zinc/52/93/08/584529308.db2.gz GWESEUSLHFJQDQ-QWRGUYRKSA-N 1 2 234.303 0.251 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902126186 584529310 /nfs/dbraw/zinc/52/93/10/584529310.db2.gz GWESEUSLHFJQDQ-QWRGUYRKSA-N 1 2 234.303 0.251 20 0 BCADLO NC(=[NH+]OC[C@H]1CNC(=O)C1)c1ccccc1 ZINC000902123745 584529389 /nfs/dbraw/zinc/52/93/89/584529389.db2.gz MWHLDMLFYQZUQT-SECBINFHSA-N 1 2 233.271 0.669 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1CCOC2(CCC2)C1 ZINC000902206023 584538650 /nfs/dbraw/zinc/53/86/50/584538650.db2.gz HJCKQXXDUFNGKD-GHMZBOCLSA-N 1 2 236.315 0.677 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1CCOC2(CCC2)C1 ZINC000902206023 584538652 /nfs/dbraw/zinc/53/86/52/584538652.db2.gz HJCKQXXDUFNGKD-GHMZBOCLSA-N 1 2 236.315 0.677 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC[C@H]1CCNC1=O ZINC000902220679 584540393 /nfs/dbraw/zinc/54/03/93/584540393.db2.gz IEIZRCQAAFNGFB-SECBINFHSA-N 1 2 243.307 0.436 20 0 BCADLO Cc1ccc(=O)n(CCCc2c[nH+]cn2C)n1 ZINC000902238200 584542837 /nfs/dbraw/zinc/54/28/37/584542837.db2.gz HICKORXFKDFTDA-UHFFFAOYSA-N 1 2 232.287 0.918 20 0 BCADLO C[C@H]1C[N@H+](CN2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000902243102 584545679 /nfs/dbraw/zinc/54/56/79/584545679.db2.gz LRNLHAIGIIDFAU-ONGXEEELSA-N 1 2 240.303 0.895 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000902243102 584545680 /nfs/dbraw/zinc/54/56/80/584545680.db2.gz LRNLHAIGIIDFAU-ONGXEEELSA-N 1 2 240.303 0.895 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000902243100 584545767 /nfs/dbraw/zinc/54/57/67/584545767.db2.gz LRNLHAIGIIDFAU-KOLCDFICSA-N 1 2 240.303 0.895 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000902243100 584545770 /nfs/dbraw/zinc/54/57/70/584545770.db2.gz LRNLHAIGIIDFAU-KOLCDFICSA-N 1 2 240.303 0.895 20 0 BCADLO CN(C)c1ccc(Cn2cc(C(N)=O)cn2)c[nH+]1 ZINC000902287599 584548164 /nfs/dbraw/zinc/54/81/64/584548164.db2.gz YOIQEYNUFZQZPL-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO CN(C)c1ccc(CN2C(=O)[C@@H]3C[C@@H]3C2=O)c[nH+]1 ZINC000902311104 584554804 /nfs/dbraw/zinc/55/48/04/584554804.db2.gz GVLAGOUKDSNXBF-AOOOYVTPSA-N 1 2 245.282 0.653 20 0 BCADLO COc1cc(CO[NH+]=C(N)CCO)sn1 ZINC000902333589 584563847 /nfs/dbraw/zinc/56/38/47/584563847.db2.gz WFQWAEAMTIVUPP-UHFFFAOYSA-N 1 2 231.277 0.533 20 0 BCADLO CCn1ncc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000902381750 584576715 /nfs/dbraw/zinc/57/67/15/584576715.db2.gz OEQWDBSFSPBIGT-VIFPVBQESA-N 1 2 239.279 0.475 20 0 BCADLO COc1ccc(CO[NH+]=C(N)CO)cc1C ZINC000902540111 584628254 /nfs/dbraw/zinc/62/82/54/584628254.db2.gz ZLJHNLDXXJFKSD-UHFFFAOYSA-N 1 2 224.260 0.994 20 0 BCADLO NC(CO)=[NH+]OCC1(Br)CC1 ZINC000902539341 584628265 /nfs/dbraw/zinc/62/82/65/584628265.db2.gz XRIFGYCYWGTTLY-UHFFFAOYSA-N 1 2 223.070 0.405 20 0 BCADLO CCn1c[nH+]c(CNc2cn(C)nn2)c1 ZINC000902595675 584635608 /nfs/dbraw/zinc/63/56/08/584635608.db2.gz ISMOCVCFNMDBRM-UHFFFAOYSA-N 1 2 206.253 0.644 20 0 BCADLO O=C1SCCN1C[N@H+]1CC[C@@H]1CO ZINC000902630648 584647066 /nfs/dbraw/zinc/64/70/66/584647066.db2.gz QZKSSKQLEOPHFR-SSDOTTSWSA-N 1 2 202.279 0.179 20 0 BCADLO O=C1SCCN1C[N@@H+]1CC[C@@H]1CO ZINC000902630648 584647068 /nfs/dbraw/zinc/64/70/68/584647068.db2.gz QZKSSKQLEOPHFR-SSDOTTSWSA-N 1 2 202.279 0.179 20 0 BCADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@@H]1CO ZINC000902631818 584647071 /nfs/dbraw/zinc/64/70/71/584647071.db2.gz JKZSAXZFDQHPAW-LLVKDONJSA-N 1 2 238.331 0.803 20 0 BCADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902631818 584647073 /nfs/dbraw/zinc/64/70/73/584647073.db2.gz JKZSAXZFDQHPAW-LLVKDONJSA-N 1 2 238.331 0.803 20 0 BCADLO C[C@@H]1CN(C[N@@H+]2CC[C@H]2CO)C(=O)[C@H]1C ZINC000902634236 584648715 /nfs/dbraw/zinc/64/87/15/584648715.db2.gz CWEYZDGCRAODFR-UTLUCORTSA-N 1 2 212.293 0.125 20 0 BCADLO C[C@@H]1CN(C[N@H+]2CC[C@H]2CO)C(=O)[C@H]1C ZINC000902634236 584648716 /nfs/dbraw/zinc/64/87/16/584648716.db2.gz CWEYZDGCRAODFR-UTLUCORTSA-N 1 2 212.293 0.125 20 0 BCADLO Cc1c[nH]c(CNc2n[nH]cc2C(=O)N(C)C)[nH+]1 ZINC000902659032 584650648 /nfs/dbraw/zinc/65/06/48/584650648.db2.gz FVPKYOWIFWOOBA-UHFFFAOYSA-N 1 2 248.290 0.755 20 0 BCADLO Cc1nnc(CCO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000902739675 584663328 /nfs/dbraw/zinc/66/33/28/584663328.db2.gz XWRLBGCCHKWDRT-MRVPVSSYSA-N 1 2 240.263 0.598 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@@H]1C[N@H+](C)CCO1 ZINC000859072327 588997214 /nfs/dbraw/zinc/99/72/14/588997214.db2.gz IWRIDFLYHAYVSC-IUCAKERBSA-N 1 2 234.271 0.401 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC000859072327 588997215 /nfs/dbraw/zinc/99/72/15/588997215.db2.gz IWRIDFLYHAYVSC-IUCAKERBSA-N 1 2 234.271 0.401 20 0 BCADLO CCNC(=O)NOCc1ccc(N)[nH+]c1 ZINC000902769767 584667638 /nfs/dbraw/zinc/66/76/38/584667638.db2.gz QLQJBFRVKWGXNZ-UHFFFAOYSA-N 1 2 210.237 0.415 20 0 BCADLO O=C(OCCF)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859078873 588998059 /nfs/dbraw/zinc/99/80/59/588998059.db2.gz GMQWSMHFLURHMU-JTQLQIEISA-N 1 2 246.282 0.499 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)OC1COC1 ZINC000902816504 584678446 /nfs/dbraw/zinc/67/84/46/584678446.db2.gz MSVYJKNHYUADQH-UHFFFAOYSA-N 1 2 239.275 0.788 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cn(C)nn1 ZINC000902840837 584680430 /nfs/dbraw/zinc/68/04/30/584680430.db2.gz IGOIWPHFXXRTHO-SCZZXKLOSA-N 1 2 246.318 0.746 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cn(C)nn1 ZINC000902840838 584680501 /nfs/dbraw/zinc/68/05/01/584680501.db2.gz IGOIWPHFXXRTHO-WCBMZHEXSA-N 1 2 246.318 0.746 20 0 BCADLO O=C(CCO)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000902844544 584680825 /nfs/dbraw/zinc/68/08/25/584680825.db2.gz IRFSZZXVSQHURD-SNVBAGLBSA-N 1 2 223.276 0.429 20 0 BCADLO O=C(OC1COC1)N1CC(n2cc[nH+]c2)C1 ZINC000902918583 584691791 /nfs/dbraw/zinc/69/17/91/584691791.db2.gz RLMBZOAANXXXPI-UHFFFAOYSA-N 1 2 223.232 0.275 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)OC1COC1 ZINC000902942736 584695170 /nfs/dbraw/zinc/69/51/70/584695170.db2.gz HXQKZFVKBVIABP-UHFFFAOYSA-N 1 2 225.248 0.528 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCO ZINC000902942529 584695566 /nfs/dbraw/zinc/69/55/66/584695566.db2.gz HTQBRPATTWKLJL-QMMMGPOBSA-N 1 2 211.265 0.463 20 0 BCADLO CC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)n(C)c1 ZINC000902934486 584699926 /nfs/dbraw/zinc/69/99/26/584699926.db2.gz PBEKNUBPDBSILP-NSHDSACASA-N 1 2 249.314 0.662 20 0 BCADLO CC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2C)n(C)c1 ZINC000902934486 584699927 /nfs/dbraw/zinc/69/99/27/584699927.db2.gz PBEKNUBPDBSILP-NSHDSACASA-N 1 2 249.314 0.662 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC1 ZINC000902938482 584700887 /nfs/dbraw/zinc/70/08/87/584700887.db2.gz CNIBAFNDGIASLJ-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCc1cn(C)nn1 ZINC000859118130 589005162 /nfs/dbraw/zinc/00/51/62/589005162.db2.gz FNTWQAPXRBZWCI-UHFFFAOYSA-N 1 2 240.307 0.289 20 0 BCADLO CCCOC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000859121048 589005346 /nfs/dbraw/zinc/00/53/46/589005346.db2.gz QMHPXWQJOMGZLA-SNVBAGLBSA-N 1 2 230.308 0.843 20 0 BCADLO CCNc1cc(CNC(=O)CCO)cc[nH+]1 ZINC000902968458 584703020 /nfs/dbraw/zinc/70/30/20/584703020.db2.gz JBQSMMZVNHARCU-UHFFFAOYSA-N 1 2 223.276 0.512 20 0 BCADLO CCCOC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000859121048 589005348 /nfs/dbraw/zinc/00/53/48/589005348.db2.gz QMHPXWQJOMGZLA-SNVBAGLBSA-N 1 2 230.308 0.843 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)OC1COC1 ZINC000902962471 584706879 /nfs/dbraw/zinc/70/68/79/584706879.db2.gz XVXAATDFHHGFEV-VIFPVBQESA-N 1 2 246.282 0.545 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)OC1COC1 ZINC000902962471 584706880 /nfs/dbraw/zinc/70/68/80/584706880.db2.gz XVXAATDFHHGFEV-VIFPVBQESA-N 1 2 246.282 0.545 20 0 BCADLO CN1CCN(C(=O)CCO)Cc2ccc[nH+]c21 ZINC000902963788 584707266 /nfs/dbraw/zinc/70/72/66/584707266.db2.gz KIZMBQIXMHXMBB-UHFFFAOYSA-N 1 2 235.287 0.242 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OCCF)CCO1 ZINC000859121189 589005665 /nfs/dbraw/zinc/00/56/65/589005665.db2.gz VRNBJWSOBQWPNZ-SECBINFHSA-N 1 2 234.271 0.403 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OCCF)CCO1 ZINC000859121189 589005667 /nfs/dbraw/zinc/00/56/67/589005667.db2.gz VRNBJWSOBQWPNZ-SECBINFHSA-N 1 2 234.271 0.403 20 0 BCADLO C[C@H](C[N@@H+]1CCC[C@H](F)C1)S(C)(=O)=O ZINC000902992307 584710744 /nfs/dbraw/zinc/71/07/44/584710744.db2.gz JOMHUWTVFHKLOJ-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](C[N@H+]1CCC[C@H](F)C1)S(C)(=O)=O ZINC000902992307 584710745 /nfs/dbraw/zinc/71/07/45/584710745.db2.gz JOMHUWTVFHKLOJ-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902992526 584711211 /nfs/dbraw/zinc/71/12/11/584711211.db2.gz LZLFVCIFHDWGAB-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](F)C1 ZINC000902992526 584711212 /nfs/dbraw/zinc/71/12/12/584711212.db2.gz LZLFVCIFHDWGAB-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C(=O)N1 ZINC000902994792 584712277 /nfs/dbraw/zinc/71/22/77/584712277.db2.gz IQRTWRYJYONCQY-HTQZYQBOSA-N 1 2 214.240 0.226 20 0 BCADLO O=C1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C(=O)N1 ZINC000902994792 584712278 /nfs/dbraw/zinc/71/22/78/584712278.db2.gz IQRTWRYJYONCQY-HTQZYQBOSA-N 1 2 214.240 0.226 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903018517 584713579 /nfs/dbraw/zinc/71/35/79/584713579.db2.gz BJOUTIAEEKHDKU-SNVBAGLBSA-N 1 2 220.276 0.552 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903018517 584713581 /nfs/dbraw/zinc/71/35/81/584713581.db2.gz BJOUTIAEEKHDKU-SNVBAGLBSA-N 1 2 220.276 0.552 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998139 584714807 /nfs/dbraw/zinc/71/48/07/584714807.db2.gz HGIBVAOUFOQREX-BDAKNGLRSA-N 1 2 200.257 0.651 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998139 584714808 /nfs/dbraw/zinc/71/48/08/584714808.db2.gz HGIBVAOUFOQREX-BDAKNGLRSA-N 1 2 200.257 0.651 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998142 584715119 /nfs/dbraw/zinc/71/51/19/584715119.db2.gz HGIBVAOUFOQREX-RKDXNWHRSA-N 1 2 200.257 0.651 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998142 584715120 /nfs/dbraw/zinc/71/51/20/584715120.db2.gz HGIBVAOUFOQREX-RKDXNWHRSA-N 1 2 200.257 0.651 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001958 584716194 /nfs/dbraw/zinc/71/61/94/584716194.db2.gz SKOCIYXKNATAJZ-NKWVEPMBSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](F)C1 ZINC000903001958 584716195 /nfs/dbraw/zinc/71/61/95/584716195.db2.gz SKOCIYXKNATAJZ-NKWVEPMBSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001959 584716482 /nfs/dbraw/zinc/71/64/82/584716482.db2.gz SKOCIYXKNATAJZ-RNFRBKRXSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](F)C1 ZINC000903001959 584716484 /nfs/dbraw/zinc/71/64/84/584716484.db2.gz SKOCIYXKNATAJZ-RNFRBKRXSA-N 1 2 217.244 0.004 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903003563 584716846 /nfs/dbraw/zinc/71/68/46/584716846.db2.gz ONRBCVBMKXRJLV-YUMQZZPRSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903003563 584716847 /nfs/dbraw/zinc/71/68/47/584716847.db2.gz ONRBCVBMKXRJLV-YUMQZZPRSA-N 1 2 231.271 0.264 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2nccn2C)c1 ZINC000903036672 584719449 /nfs/dbraw/zinc/71/94/49/584719449.db2.gz OUJWVHSTJQITFC-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@H]2OC)n1 ZINC000903198996 584734943 /nfs/dbraw/zinc/73/49/43/584734943.db2.gz IMOYUIRUUMGPAW-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@H]2OC)[nH]1 ZINC000903198996 584734944 /nfs/dbraw/zinc/73/49/44/584734944.db2.gz IMOYUIRUUMGPAW-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO C[C@H](C(=O)O[C@H]1CCOC1)[NH+]1CCSCC1 ZINC000124588317 584737094 /nfs/dbraw/zinc/73/70/94/584737094.db2.gz VTWFZXRQUKOVTN-ZJUUUORDSA-N 1 2 245.344 0.756 20 0 BCADLO O=C(CCN1CC=CC[NH2+]1)Nc1cccnc1 ZINC000903489236 584780477 /nfs/dbraw/zinc/78/04/77/584780477.db2.gz JMRAQOHCYQLICU-UHFFFAOYSA-N 1 2 232.287 0.787 20 0 BCADLO COC(=O)CC1(CN2CC=CC[NH2+]2)CC1 ZINC000903489097 584780551 /nfs/dbraw/zinc/78/05/51/584780551.db2.gz DTOLXVIRKLVTQG-UHFFFAOYSA-N 1 2 210.277 0.706 20 0 BCADLO c1nc2n(n1)[C@@H](CN1CC=CC[NH2+]1)CC2 ZINC000903490706 584780980 /nfs/dbraw/zinc/78/09/80/584780980.db2.gz FDISNMGIXDLBJS-SECBINFHSA-N 1 2 205.265 0.142 20 0 BCADLO CC1(C)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557320 584782911 /nfs/dbraw/zinc/78/29/11/584782911.db2.gz NORLXDQPGZVJNM-QWRGUYRKSA-N 1 2 239.363 0.177 20 0 BCADLO Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617926 584787364 /nfs/dbraw/zinc/78/73/64/584787364.db2.gz YERKXAWJNWVTRU-UWVGGRQHSA-N 1 2 241.266 0.689 20 0 BCADLO Cc1[nH+]ccn1CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617926 584787365 /nfs/dbraw/zinc/78/73/65/584787365.db2.gz YERKXAWJNWVTRU-UWVGGRQHSA-N 1 2 241.266 0.689 20 0 BCADLO CC(C)C(=O)CCN1CC[NH+](CCO)CC1 ZINC000200660863 589010189 /nfs/dbraw/zinc/01/01/89/589010189.db2.gz VULMPBXNMUPQPW-UHFFFAOYSA-N 1 2 228.336 0.212 20 0 BCADLO CC(C)S(=O)(=O)CC[NH+]1CCC(O)CC1 ZINC000200665922 589010913 /nfs/dbraw/zinc/01/09/13/589010913.db2.gz LULXPVBRSJDAJV-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO COC(=O)c1coc(C[NH2+][C@@H]2CNOC2)c1 ZINC000904424971 584880922 /nfs/dbraw/zinc/88/09/22/584880922.db2.gz SOZXSECYTKZKHR-MRVPVSSYSA-N 1 2 226.232 0.059 20 0 BCADLO Clc1ncccc1C[NH2+][C@@H]1CNOC1 ZINC000904421542 584882230 /nfs/dbraw/zinc/88/22/30/584882230.db2.gz IZSFWMLQAWSYCM-MRVPVSSYSA-N 1 2 213.668 0.728 20 0 BCADLO COC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(N)=O ZINC000758302388 584905580 /nfs/dbraw/zinc/90/55/80/584905580.db2.gz IBVDRPBWINXTMS-QMMMGPOBSA-N 1 2 249.274 0.179 20 0 BCADLO CCC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000753746419 584905861 /nfs/dbraw/zinc/90/58/61/584905861.db2.gz QKHBHVBVTLCBIL-VIFPVBQESA-N 1 2 230.333 0.258 20 0 BCADLO CCC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000753746419 584905862 /nfs/dbraw/zinc/90/58/62/584905862.db2.gz QKHBHVBVTLCBIL-VIFPVBQESA-N 1 2 230.333 0.258 20 0 BCADLO Cn1cc[nH+]c1CSCCS(C)(=O)=O ZINC000730466619 584911189 /nfs/dbraw/zinc/91/11/89/584911189.db2.gz MKADFFAPAMZDNW-UHFFFAOYSA-N 1 2 234.346 0.698 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926446 584918513 /nfs/dbraw/zinc/91/85/13/584918513.db2.gz STDOFGKGLOOAOH-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926446 584918514 /nfs/dbraw/zinc/91/85/14/584918514.db2.gz STDOFGKGLOOAOH-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCOC1=O ZINC000731104125 584922281 /nfs/dbraw/zinc/92/22/81/584922281.db2.gz CJDXRKZTWNWEQI-SECBINFHSA-N 1 2 214.265 0.159 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCOC1=O ZINC000731104125 584922282 /nfs/dbraw/zinc/92/22/82/584922282.db2.gz CJDXRKZTWNWEQI-SECBINFHSA-N 1 2 214.265 0.159 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000731868430 584930467 /nfs/dbraw/zinc/93/04/67/584930467.db2.gz YXNKUBBHCVJXNF-MRVPVSSYSA-N 1 2 227.333 0.690 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000731868430 584930468 /nfs/dbraw/zinc/93/04/68/584930468.db2.gz YXNKUBBHCVJXNF-MRVPVSSYSA-N 1 2 227.333 0.690 20 0 BCADLO CCN1C(=O)CN(C[NH+]2CCSCC2)C1=O ZINC000731902395 584931027 /nfs/dbraw/zinc/93/10/27/584931027.db2.gz HCTSOXDKFCVCAS-UHFFFAOYSA-N 1 2 243.332 0.277 20 0 BCADLO CC(C)c1nc(N2CCCNC(=O)C2)cc[nH+]1 ZINC000732030920 584932936 /nfs/dbraw/zinc/93/29/36/584932936.db2.gz CZPJJOIRCNUPRR-UHFFFAOYSA-N 1 2 234.303 0.926 20 0 BCADLO CCC/C=C/C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732149889 584934098 /nfs/dbraw/zinc/93/40/98/584934098.db2.gz SWYAFQMQORGHJE-SYTKJHMZSA-N 1 2 239.363 0.705 20 0 BCADLO CCC/C=C/C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732149889 584934099 /nfs/dbraw/zinc/93/40/99/584934099.db2.gz SWYAFQMQORGHJE-SYTKJHMZSA-N 1 2 239.363 0.705 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@@H](C)OC)C1 ZINC000788044542 584937201 /nfs/dbraw/zinc/93/72/01/584937201.db2.gz SLFWQYJQLIUTDJ-SECBINFHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@@H](O)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000837811820 584938773 /nfs/dbraw/zinc/93/87/73/584938773.db2.gz WEXOSOUPMJXXNE-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@@H](O)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000837811820 584938774 /nfs/dbraw/zinc/93/87/74/584938774.db2.gz WEXOSOUPMJXXNE-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2CCCNC(=O)[C@@H]2C)C1 ZINC000788049185 584940763 /nfs/dbraw/zinc/94/07/63/584940763.db2.gz ZRCOYLTZYZUMRW-UWVGGRQHSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2CCCNC(=O)[C@@H]2C)C1 ZINC000788049185 584940764 /nfs/dbraw/zinc/94/07/64/584940764.db2.gz ZRCOYLTZYZUMRW-UWVGGRQHSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)CCOC1 ZINC000755121069 584944927 /nfs/dbraw/zinc/94/49/27/584944927.db2.gz WESUPCRNDLAXJK-NSHDSACASA-N 1 2 224.260 0.853 20 0 BCADLO CCc1nc(NC[C@]2(O)CCO[C@H]2C)cc[nH+]1 ZINC000884491430 584954462 /nfs/dbraw/zinc/95/44/62/584954462.db2.gz VKHKEPTUAGBURP-JOYOIKCWSA-N 1 2 237.303 0.991 20 0 BCADLO COc1ncc(C(=O)Nc2cc[nH+]cc2C)cn1 ZINC000733955791 584955370 /nfs/dbraw/zinc/95/53/70/584955370.db2.gz NWGXEDXDUZNRGN-UHFFFAOYSA-N 1 2 244.254 0.863 20 0 BCADLO CNC(=O)C1CC[NH+](Cc2nonc2C)CC1 ZINC000734146496 584957281 /nfs/dbraw/zinc/95/72/81/584957281.db2.gz DUMIVJYDQBBVAZ-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=COCC1 ZINC000734129060 584958966 /nfs/dbraw/zinc/95/89/66/584958966.db2.gz YZGXJRJLKVVHLH-UHFFFAOYSA-N 1 2 207.233 0.672 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C2CC2)CCO1 ZINC000734271796 584959701 /nfs/dbraw/zinc/95/97/01/584959701.db2.gz MJLMAEHBHFNNBE-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C2CC2)CCO1 ZINC000734271796 584959702 /nfs/dbraw/zinc/95/97/02/584959702.db2.gz MJLMAEHBHFNNBE-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000885083420 584966126 /nfs/dbraw/zinc/96/61/26/584966126.db2.gz NVKYJVCTUUDLKP-JTQLQIEISA-N 1 2 249.314 0.933 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000735836739 584982571 /nfs/dbraw/zinc/98/25/71/584982571.db2.gz HXWSHYGCGPZKHA-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO CC(C)(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000735854199 584982694 /nfs/dbraw/zinc/98/26/94/584982694.db2.gz OMGMDDVBAOVINA-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000736220187 584992569 /nfs/dbraw/zinc/99/25/69/584992569.db2.gz ZFLIWHVWHCILCT-WDEREUQCSA-N 1 2 242.319 0.114 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000736220187 584992570 /nfs/dbraw/zinc/99/25/70/584992570.db2.gz ZFLIWHVWHCILCT-WDEREUQCSA-N 1 2 242.319 0.114 20 0 BCADLO CCONC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000736650278 585008788 /nfs/dbraw/zinc/00/87/88/585008788.db2.gz SINMPLAZHRHZQW-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO CCONC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000736650278 585008789 /nfs/dbraw/zinc/00/87/89/585008789.db2.gz SINMPLAZHRHZQW-UHFFFAOYSA-N 1 2 245.323 0.348 20 0 BCADLO Cc1nonc1C(=O)Nc1cc[nH+]cc1C ZINC000736673003 585009363 /nfs/dbraw/zinc/00/93/63/585009363.db2.gz CSOFUKOSJYVUOI-UHFFFAOYSA-N 1 2 218.216 0.756 20 0 BCADLO COc1coc(C[N@@H+]2CCCOCC2)cc1=O ZINC000351319859 585013331 /nfs/dbraw/zinc/01/33/31/585013331.db2.gz ADRXYKVFMZBASZ-UHFFFAOYSA-N 1 2 239.271 0.871 20 0 BCADLO COc1coc(C[N@H+]2CCCOCC2)cc1=O ZINC000351319859 585013332 /nfs/dbraw/zinc/01/33/32/585013332.db2.gz ADRXYKVFMZBASZ-UHFFFAOYSA-N 1 2 239.271 0.871 20 0 BCADLO CCO[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788079975 585022339 /nfs/dbraw/zinc/02/23/39/585022339.db2.gz ICEYJVPFFLMDDV-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CCO[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788079975 585022340 /nfs/dbraw/zinc/02/23/40/585022340.db2.gz ICEYJVPFFLMDDV-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@](C)(O)C2CCC2)c1 ZINC000890108332 585023709 /nfs/dbraw/zinc/02/37/09/585023709.db2.gz XLOZZWLJAVCINQ-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO CO[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788081436 585027295 /nfs/dbraw/zinc/02/72/95/585027295.db2.gz QCWCMSNZCQYCES-RKDXNWHRSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788081436 585027296 /nfs/dbraw/zinc/02/72/96/585027296.db2.gz QCWCMSNZCQYCES-RKDXNWHRSA-N 1 2 219.256 0.608 20 0 BCADLO NC(=O)CCCCC(=O)OCCn1cc[nH+]c1 ZINC000788206375 585028021 /nfs/dbraw/zinc/02/80/21/585028021.db2.gz YRHXUVQZFZIGFV-UHFFFAOYSA-N 1 2 239.275 0.472 20 0 BCADLO CC(=O)N1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000885944447 585031208 /nfs/dbraw/zinc/03/12/08/585031208.db2.gz PZAGQMQVLADEFN-JTQLQIEISA-N 1 2 236.262 0.167 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000889319597 585037753 /nfs/dbraw/zinc/03/77/53/585037753.db2.gz ZEQDRTLOGUZSGG-ZJUUUORDSA-N 1 2 223.276 0.588 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000889319596 585037950 /nfs/dbraw/zinc/03/79/50/585037950.db2.gz ZEQDRTLOGUZSGG-VHSXEESVSA-N 1 2 223.276 0.588 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838113648 585046331 /nfs/dbraw/zinc/04/63/31/585046331.db2.gz PUOUOLCNUKYYRL-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838113648 585046332 /nfs/dbraw/zinc/04/63/32/585046332.db2.gz PUOUOLCNUKYYRL-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@](C)(CO)C(=O)OCCn1cc[nH+]c1 ZINC000838208164 585048116 /nfs/dbraw/zinc/04/81/16/585048116.db2.gz HVWPLDBBTDCLIK-LLVKDONJSA-N 1 2 226.276 0.835 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H](O)C1CCC1 ZINC000838306146 585052276 /nfs/dbraw/zinc/05/22/76/585052276.db2.gz KZIPSKWLOTVDEF-NSHDSACASA-N 1 2 243.303 0.023 20 0 BCADLO Nc1cc(COC(=O)[C@@H](O)C2CCC2)cc[nH+]1 ZINC000838312779 585052929 /nfs/dbraw/zinc/05/29/29/585052929.db2.gz VONAQTWJSIZERB-NSHDSACASA-N 1 2 236.271 0.868 20 0 BCADLO NC(=O)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738951310 585054732 /nfs/dbraw/zinc/05/47/32/585054732.db2.gz KJIOJRXFABKPHF-UHFFFAOYSA-N 1 2 247.258 0.331 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000866988903 585064019 /nfs/dbraw/zinc/06/40/19/585064019.db2.gz ZWMFOTUOEHJSOE-IONNQARKSA-N 1 2 241.316 0.407 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000866988901 585064040 /nfs/dbraw/zinc/06/40/40/585064040.db2.gz ZWMFOTUOEHJSOE-APPZFPTMSA-N 1 2 241.316 0.407 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](C(=O)OC)C2)n1 ZINC000838797477 585068786 /nfs/dbraw/zinc/06/87/86/585068786.db2.gz QLSDXBZJZNIOEY-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](C(=O)OC)C2)n1 ZINC000838797477 585068787 /nfs/dbraw/zinc/06/87/87/585068787.db2.gz QLSDXBZJZNIOEY-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncc(C[N@H+](CCO)C(C)C)n1 ZINC000838786861 585070163 /nfs/dbraw/zinc/07/01/63/585070163.db2.gz JTFZKUKAAFWYRN-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](CCO)C(C)C)n1 ZINC000838786861 585070164 /nfs/dbraw/zinc/07/01/64/585070164.db2.gz JTFZKUKAAFWYRN-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@H+](CC)CCCO)n1 ZINC000838850347 585074853 /nfs/dbraw/zinc/07/48/53/585074853.db2.gz LUIHYILPSSDQIR-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCn1ncc(C[N@@H+](CC)CCCO)n1 ZINC000838850347 585074854 /nfs/dbraw/zinc/07/48/54/585074854.db2.gz LUIHYILPSSDQIR-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838908487 585077437 /nfs/dbraw/zinc/07/74/37/585077437.db2.gz FGLHRCJTMBGKMP-GXSJLCMTSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C ZINC000838898333 585079704 /nfs/dbraw/zinc/07/97/04/585079704.db2.gz YZGPGGRUNPVIGN-NXEZZACHSA-N 1 2 229.320 0.935 20 0 BCADLO COC(=O)C1([NH2+]C[C@H](O)C2CC2)CCCC1 ZINC000838901792 585080253 /nfs/dbraw/zinc/08/02/53/585080253.db2.gz SJIHESXBUSNOBA-JTQLQIEISA-N 1 2 227.304 0.833 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cn[nH]c1 ZINC000838960542 585082114 /nfs/dbraw/zinc/08/21/14/585082114.db2.gz OKONYNYQULTYPB-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cn[nH]c1 ZINC000838960542 585082115 /nfs/dbraw/zinc/08/21/15/585082115.db2.gz OKONYNYQULTYPB-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000838981407 585084030 /nfs/dbraw/zinc/08/40/30/585084030.db2.gz PWNCEHSKPWWIGB-ZWNOBZJWSA-N 1 2 249.362 0.870 20 0 BCADLO CCn1ncc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000839009598 585086982 /nfs/dbraw/zinc/08/69/82/585086982.db2.gz WJRRKDCYGMDYMY-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CCn1ncc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000839009598 585086983 /nfs/dbraw/zinc/08/69/83/585086983.db2.gz WJRRKDCYGMDYMY-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO C[C@]1([NH2+]CCn2cc(Cl)cn2)CCOC1=O ZINC000839021848 585087485 /nfs/dbraw/zinc/08/74/85/585087485.db2.gz RBZWAPVSNCDXNN-JTQLQIEISA-N 1 2 243.694 0.832 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000839113140 585091769 /nfs/dbraw/zinc/09/17/69/585091769.db2.gz ZEQVDKHRMXXOBS-PWSUYJOCSA-N 1 2 245.319 0.315 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839147306 585092243 /nfs/dbraw/zinc/09/22/43/585092243.db2.gz HMTQTYGTTNDQOJ-LBPRGKRZSA-N 1 2 245.319 0.005 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839147306 585092244 /nfs/dbraw/zinc/09/22/44/585092244.db2.gz HMTQTYGTTNDQOJ-LBPRGKRZSA-N 1 2 245.319 0.005 20 0 BCADLO CCc1nn(C)cc1C[NH+]1CC(OC)C1 ZINC000839131225 585093505 /nfs/dbraw/zinc/09/35/05/585093505.db2.gz PSJQHNICBZFYMS-UHFFFAOYSA-N 1 2 209.293 0.813 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2ccc(CO)o2)C1 ZINC000839132876 585094236 /nfs/dbraw/zinc/09/42/36/585094236.db2.gz MUALCCMNJCFLNK-UHFFFAOYSA-N 1 2 225.288 0.975 20 0 BCADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC000741145698 585110378 /nfs/dbraw/zinc/11/03/78/585110378.db2.gz ZRSDUMQLFQGFDC-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC000741145698 585110379 /nfs/dbraw/zinc/11/03/79/585110379.db2.gz ZRSDUMQLFQGFDC-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(C)C ZINC000741148053 585110536 /nfs/dbraw/zinc/11/05/36/585110536.db2.gz ODFXQJXSEUYURU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(C)C ZINC000741148053 585110537 /nfs/dbraw/zinc/11/05/37/585110537.db2.gz ODFXQJXSEUYURU-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CCO)C1CC1 ZINC000741241749 585111359 /nfs/dbraw/zinc/11/13/59/585111359.db2.gz KUYZZXAYIJCPHN-JTQLQIEISA-N 1 2 247.302 0.936 20 0 BCADLO CCOC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000741251256 585111530 /nfs/dbraw/zinc/11/15/30/585111530.db2.gz ZYGITCLAAYGVSN-VIFPVBQESA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000741250129 585111801 /nfs/dbraw/zinc/11/18/01/585111801.db2.gz RTHZZAZKCSPHBP-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000741250129 585111802 /nfs/dbraw/zinc/11/18/02/585111802.db2.gz RTHZZAZKCSPHBP-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000741774590 585118208 /nfs/dbraw/zinc/11/82/08/585118208.db2.gz HGLGLBRPUWOEHX-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000741774590 585118209 /nfs/dbraw/zinc/11/82/09/585118209.db2.gz HGLGLBRPUWOEHX-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000742195503 585123065 /nfs/dbraw/zinc/12/30/65/585123065.db2.gz FJICDZLMKLXTER-SECBINFHSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000742195503 585123066 /nfs/dbraw/zinc/12/30/66/585123066.db2.gz FJICDZLMKLXTER-SECBINFHSA-N 1 2 222.292 0.494 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742195066 585123128 /nfs/dbraw/zinc/12/31/28/585123128.db2.gz FDMVRNHERMXGMX-RKDXNWHRSA-N 1 2 216.350 0.900 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742195066 585123129 /nfs/dbraw/zinc/12/31/29/585123129.db2.gz FDMVRNHERMXGMX-RKDXNWHRSA-N 1 2 216.350 0.900 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000742197932 585123168 /nfs/dbraw/zinc/12/31/68/585123168.db2.gz WXVUIKZIWXAYBQ-VIFPVBQESA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000742197932 585123169 /nfs/dbraw/zinc/12/31/69/585123169.db2.gz WXVUIKZIWXAYBQ-VIFPVBQESA-N 1 2 223.276 0.759 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1ncccn1 ZINC000743300761 585134925 /nfs/dbraw/zinc/13/49/25/585134925.db2.gz XCAYFLAVQRTPKF-UHFFFAOYSA-N 1 2 243.270 0.714 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ncccn1 ZINC000743306940 585134976 /nfs/dbraw/zinc/13/49/76/585134976.db2.gz LLOSUZZGTUMPIG-UHFFFAOYSA-N 1 2 217.232 0.103 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncccn1 ZINC000743307451 585135051 /nfs/dbraw/zinc/13/50/51/585135051.db2.gz SZKLIIZHMUYWFH-VIFPVBQESA-N 1 2 231.259 0.492 20 0 BCADLO C[N@H+](CN1C(=O)CC12CCC2)[C@@H]1CCOC1 ZINC000743362103 585136212 /nfs/dbraw/zinc/13/62/12/585136212.db2.gz GPARNVDCGBMAJD-SNVBAGLBSA-N 1 2 224.304 0.820 20 0 BCADLO C[N@@H+](CN1C(=O)CC12CCC2)[C@@H]1CCOC1 ZINC000743362103 585136213 /nfs/dbraw/zinc/13/62/13/585136213.db2.gz GPARNVDCGBMAJD-SNVBAGLBSA-N 1 2 224.304 0.820 20 0 BCADLO Cc1[nH]c(C(=O)NCc2nonc2C)c[nH+]1 ZINC000743418689 585136828 /nfs/dbraw/zinc/13/68/28/585136828.db2.gz PKFIEWVDKXFTHD-UHFFFAOYSA-N 1 2 221.220 0.340 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ncco1 ZINC000886530633 585141909 /nfs/dbraw/zinc/14/19/09/585141909.db2.gz NZFPRARPILYVIJ-QMMMGPOBSA-N 1 2 223.276 0.851 20 0 BCADLO S=C1OCCN1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436296 585150156 /nfs/dbraw/zinc/15/01/56/585150156.db2.gz KVMSGJZDMRQSMU-DTORHVGOSA-N 1 2 228.317 0.424 20 0 BCADLO S=C1OCCN1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436296 585150157 /nfs/dbraw/zinc/15/01/57/585150157.db2.gz KVMSGJZDMRQSMU-DTORHVGOSA-N 1 2 228.317 0.424 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745087230 585156011 /nfs/dbraw/zinc/15/60/11/585156011.db2.gz XRUJHLNJDLMZGA-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC000745087230 585156012 /nfs/dbraw/zinc/15/60/12/585156012.db2.gz XRUJHLNJDLMZGA-RKDXNWHRSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(N)=O ZINC000745082779 585156115 /nfs/dbraw/zinc/15/61/15/585156115.db2.gz IKPINMFZFLDVQX-BDAKNGLRSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(N)=O ZINC000745082779 585156116 /nfs/dbraw/zinc/15/61/16/585156116.db2.gz IKPINMFZFLDVQX-BDAKNGLRSA-N 1 2 228.292 0.278 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C1CC1 ZINC000745080905 585156134 /nfs/dbraw/zinc/15/61/34/585156134.db2.gz YFGLSIAZSJDVBD-JTQLQIEISA-N 1 2 225.288 0.993 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C1CC1 ZINC000745080905 585156135 /nfs/dbraw/zinc/15/61/35/585156135.db2.gz YFGLSIAZSJDVBD-JTQLQIEISA-N 1 2 225.288 0.993 20 0 BCADLO C[C@H](CNC(=O)c1nnc[nH]1)Cn1cc[nH+]c1 ZINC000746196586 585164945 /nfs/dbraw/zinc/16/49/45/585164945.db2.gz MENRFYXCKMJPCW-MRVPVSSYSA-N 1 2 234.263 0.067 20 0 BCADLO C[C@H](CNC(=O)c1ncn[nH]1)Cn1cc[nH+]c1 ZINC000746196586 585164946 /nfs/dbraw/zinc/16/49/46/585164946.db2.gz MENRFYXCKMJPCW-MRVPVSSYSA-N 1 2 234.263 0.067 20 0 BCADLO C[C@H](CNC(=O)c1nc[nH]n1)Cn1cc[nH+]c1 ZINC000746196586 585164947 /nfs/dbraw/zinc/16/49/47/585164947.db2.gz MENRFYXCKMJPCW-MRVPVSSYSA-N 1 2 234.263 0.067 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ncccn1 ZINC000746243605 585166487 /nfs/dbraw/zinc/16/64/87/585166487.db2.gz YJWDCAWRJWORDP-UHFFFAOYSA-N 1 2 217.232 0.172 20 0 BCADLO COC(=O)CC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000746290531 585167014 /nfs/dbraw/zinc/16/70/14/585167014.db2.gz KTHUAHJGNAGDDO-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)nc1 ZINC000746487383 585168655 /nfs/dbraw/zinc/16/86/55/585168655.db2.gz GRLVWXJGIPXELN-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)nc1 ZINC000746487383 585168656 /nfs/dbraw/zinc/16/86/56/585168656.db2.gz GRLVWXJGIPXELN-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO COc1ccnc(N2CC[NH+](CCF)CC2)n1 ZINC000746501816 585169281 /nfs/dbraw/zinc/16/92/81/585169281.db2.gz ADHNPSAVWYBNJM-UHFFFAOYSA-N 1 2 240.282 0.577 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cn1ccsc1=O ZINC000746627433 585171262 /nfs/dbraw/zinc/17/12/62/585171262.db2.gz YXPLUDXTJADJLO-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cn1ccsc1=O ZINC000746627433 585171263 /nfs/dbraw/zinc/17/12/63/585171263.db2.gz YXPLUDXTJADJLO-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO COCC[NH+](CCOC)Cn1cc[nH]c1=S ZINC000747448433 585179161 /nfs/dbraw/zinc/17/91/61/585179161.db2.gz GALIVPMTQJVYID-UHFFFAOYSA-N 1 2 245.348 0.724 20 0 BCADLO CCCN(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000747451001 585179166 /nfs/dbraw/zinc/17/91/66/585179166.db2.gz XOMBCEVDXFDPPG-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000747529843 585180443 /nfs/dbraw/zinc/18/04/43/585180443.db2.gz RHAYCLWQJJBSCK-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000747529843 585180444 /nfs/dbraw/zinc/18/04/44/585180444.db2.gz RHAYCLWQJJBSCK-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)C1CC1 ZINC000747658880 585181853 /nfs/dbraw/zinc/18/18/53/585181853.db2.gz WLAKPSPLJCIZRW-SNVBAGLBSA-N 1 2 236.319 0.427 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)C1CC1 ZINC000747658880 585181854 /nfs/dbraw/zinc/18/18/54/585181854.db2.gz WLAKPSPLJCIZRW-SNVBAGLBSA-N 1 2 236.319 0.427 20 0 BCADLO COCCCCC(=O)OCC[NH+]1CCOCC1 ZINC000747695271 585182507 /nfs/dbraw/zinc/18/25/07/585182507.db2.gz RWEQYFGSVUPFBG-UHFFFAOYSA-N 1 2 245.319 0.679 20 0 BCADLO COc1c(C)c[nH+]c(CNC(N)=O)c1C ZINC000747976639 585186530 /nfs/dbraw/zinc/18/65/30/585186530.db2.gz FWFXTLFWEKNNCS-UHFFFAOYSA-N 1 2 209.249 0.875 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1=NCCS1 ZINC000748548142 585193751 /nfs/dbraw/zinc/19/37/51/585193751.db2.gz SZYWRKSWWXRVHA-SSDOTTSWSA-N 1 2 213.306 0.300 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)NC1=NCCS1 ZINC000748548142 585193752 /nfs/dbraw/zinc/19/37/52/585193752.db2.gz SZYWRKSWWXRVHA-SSDOTTSWSA-N 1 2 213.306 0.300 20 0 BCADLO COCC[N@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000748790261 585195030 /nfs/dbraw/zinc/19/50/30/585195030.db2.gz QAKAHWSHDIKRLR-UHFFFAOYSA-N 1 2 228.292 0.307 20 0 BCADLO COCC[N@@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000748790261 585195031 /nfs/dbraw/zinc/19/50/31/585195031.db2.gz QAKAHWSHDIKRLR-UHFFFAOYSA-N 1 2 228.292 0.307 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)Cc1cc[nH]n1 ZINC000748818635 585196580 /nfs/dbraw/zinc/19/65/80/585196580.db2.gz VPOHCTOFDHGXJS-UITAMQMPSA-N 1 2 223.276 0.961 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1cc[nH]n1 ZINC000748818635 585196581 /nfs/dbraw/zinc/19/65/81/585196581.db2.gz VPOHCTOFDHGXJS-UITAMQMPSA-N 1 2 223.276 0.961 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000748816964 585196726 /nfs/dbraw/zinc/19/67/26/585196726.db2.gz XEJDEGHBWTVCAZ-ABRRARGCSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000748816964 585196727 /nfs/dbraw/zinc/19/67/27/585196727.db2.gz XEJDEGHBWTVCAZ-ABRRARGCSA-N 1 2 241.287 0.743 20 0 BCADLO CCC[N@H+](C/C=C(\C)C(=O)OC)CC(=O)OC ZINC000749117187 585199757 /nfs/dbraw/zinc/19/97/57/585199757.db2.gz SCOPACXPFCHSAM-UXBLZVDNSA-N 1 2 243.303 0.991 20 0 BCADLO CCC[N@@H+](C/C=C(\C)C(=O)OC)CC(=O)OC ZINC000749117187 585199758 /nfs/dbraw/zinc/19/97/58/585199758.db2.gz SCOPACXPFCHSAM-UXBLZVDNSA-N 1 2 243.303 0.991 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCCOC[C@H]1C ZINC000749510328 585203080 /nfs/dbraw/zinc/20/30/80/585203080.db2.gz JRVGYALXUPMFNN-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCCOC[C@H]1C ZINC000749510328 585203081 /nfs/dbraw/zinc/20/30/81/585203081.db2.gz JRVGYALXUPMFNN-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@H](C)NC(=S)NN1CC[NH+](C)CC1 ZINC000749758990 585205408 /nfs/dbraw/zinc/20/54/08/585205408.db2.gz VMDJOYHWJBYVJD-VIFPVBQESA-N 1 2 230.381 0.411 20 0 BCADLO CC[N@H+](CCc1ccccn1)Cc1nnnn1C ZINC000749902952 585207993 /nfs/dbraw/zinc/20/79/93/585207993.db2.gz CIHXETQIKYLDPZ-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO CC[N@@H+](CCc1ccccn1)Cc1nnnn1C ZINC000749902952 585207994 /nfs/dbraw/zinc/20/79/94/585207994.db2.gz CIHXETQIKYLDPZ-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO O=Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC000749987641 585209267 /nfs/dbraw/zinc/20/92/67/585209267.db2.gz LDRNTYVNNACOJA-UHFFFAOYSA-N 1 2 232.243 0.523 20 0 BCADLO CO[C@H](C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747269 585219206 /nfs/dbraw/zinc/21/92/06/585219206.db2.gz QPICRKVRKVCQHO-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747269 585219207 /nfs/dbraw/zinc/21/92/07/585219207.db2.gz QPICRKVRKVCQHO-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO COCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886945867 585223345 /nfs/dbraw/zinc/22/33/45/585223345.db2.gz CJJDYSKOFZHBBZ-UWVGGRQHSA-N 1 2 231.292 0.333 20 0 BCADLO c1c[nH]c(C[NH+]2CCC(c3nnc[nH]3)CC2)n1 ZINC000751501545 585231331 /nfs/dbraw/zinc/23/13/31/585231331.db2.gz VDSIEDZRTSSCAP-UHFFFAOYSA-N 1 2 232.291 0.907 20 0 BCADLO Cn1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)cn1 ZINC000751499498 585231388 /nfs/dbraw/zinc/23/13/88/585231388.db2.gz CZGLUDMZDRETIB-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO CS/C=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000751576373 585233270 /nfs/dbraw/zinc/23/32/70/585233270.db2.gz ALBGMYHSXBBVRS-WPKZPIIRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C\C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000751576373 585233271 /nfs/dbraw/zinc/23/32/71/585233271.db2.gz ALBGMYHSXBBVRS-WPKZPIIRSA-N 1 2 244.360 0.700 20 0 BCADLO CO[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000751946763 585239412 /nfs/dbraw/zinc/23/94/12/585239412.db2.gz JIIYCWXYRCAHNE-QMMMGPOBSA-N 1 2 228.321 0.629 20 0 BCADLO CO[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000751946763 585239413 /nfs/dbraw/zinc/23/94/13/585239413.db2.gz JIIYCWXYRCAHNE-QMMMGPOBSA-N 1 2 228.321 0.629 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1c[nH+]cn1C ZINC000752955643 585251827 /nfs/dbraw/zinc/25/18/27/585251827.db2.gz RZYWRHVPOSEYMC-QMMMGPOBSA-N 1 2 211.265 0.055 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C1CCOCC1 ZINC000753146291 585254405 /nfs/dbraw/zinc/25/44/05/585254405.db2.gz LISLMTQJHPDZGQ-UHFFFAOYSA-N 1 2 224.260 0.890 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000753744652 585267711 /nfs/dbraw/zinc/26/77/11/585267711.db2.gz AXCGUTGPIADFKM-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000753744652 585267712 /nfs/dbraw/zinc/26/77/12/585267712.db2.gz AXCGUTGPIADFKM-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000753767832 585268583 /nfs/dbraw/zinc/26/85/83/585268583.db2.gz FNIXVBRBEMRVIT-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000753767832 585268584 /nfs/dbraw/zinc/26/85/84/585268584.db2.gz FNIXVBRBEMRVIT-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO O=CNc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000754303848 585282327 /nfs/dbraw/zinc/28/23/27/585282327.db2.gz VUDMSCPIVRFXDN-UHFFFAOYSA-N 1 2 244.254 0.908 20 0 BCADLO O=CNc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000754303848 585282328 /nfs/dbraw/zinc/28/23/28/585282328.db2.gz VUDMSCPIVRFXDN-UHFFFAOYSA-N 1 2 244.254 0.908 20 0 BCADLO COC(=O)C[C@@H]([NH2+]Cc1noc(C)n1)C1CC1 ZINC000754520961 585285529 /nfs/dbraw/zinc/28/55/29/585285529.db2.gz RYHWZSNWXWXJFQ-SECBINFHSA-N 1 2 239.275 0.809 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000754542151 585285841 /nfs/dbraw/zinc/28/58/41/585285841.db2.gz TZNCOXLYLBRCJF-SCZZXKLOSA-N 1 2 243.303 0.869 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C=C2CCC2)CCO1 ZINC000755282779 585297169 /nfs/dbraw/zinc/29/71/69/585297169.db2.gz QFSRMDDDZAIKCN-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C=C2CCC2)CCO1 ZINC000755282779 585297170 /nfs/dbraw/zinc/29/71/70/585297170.db2.gz QFSRMDDDZAIKCN-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO CCC1(C(=O)NCCc2[nH]cc[nH+]2)COC1 ZINC000755355770 585298076 /nfs/dbraw/zinc/29/80/76/585298076.db2.gz KBNFXFJNGHTYRH-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCCNC(=O)C1 ZINC000756513722 585320440 /nfs/dbraw/zinc/32/04/40/585320440.db2.gz IAMXMWJXCHFFBM-UHFFFAOYSA-N 1 2 237.303 0.656 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCCNC(=O)C1 ZINC000756513722 585320441 /nfs/dbraw/zinc/32/04/41/585320441.db2.gz IAMXMWJXCHFFBM-UHFFFAOYSA-N 1 2 237.303 0.656 20 0 BCADLO C[C@]1(C(=O)OCC[NH+]2CCOCC2)CCCO1 ZINC000756558024 585321101 /nfs/dbraw/zinc/32/11/01/585321101.db2.gz NPQAPSMPKPQXPU-GFCCVEGCSA-N 1 2 243.303 0.431 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccnc(N)c1 ZINC000839575118 585330534 /nfs/dbraw/zinc/33/05/34/585330534.db2.gz QWYGDLSYVPUKIX-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccnc(N)c1 ZINC000839575118 585330535 /nfs/dbraw/zinc/33/05/35/585330535.db2.gz QWYGDLSYVPUKIX-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839670779 585336321 /nfs/dbraw/zinc/33/63/21/585336321.db2.gz HSXSCPSRYDOZHI-ONGXEEELSA-N 1 2 215.293 0.437 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839670779 585336322 /nfs/dbraw/zinc/33/63/22/585336322.db2.gz HSXSCPSRYDOZHI-ONGXEEELSA-N 1 2 215.293 0.437 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)c1cccc2[nH+]ccn21 ZINC000839790146 585342177 /nfs/dbraw/zinc/34/21/77/585342177.db2.gz RITIKUSFEHPSIW-DTORHVGOSA-N 1 2 231.255 0.587 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)NC(C)(C)C)CCO1 ZINC000757668204 585343841 /nfs/dbraw/zinc/34/38/41/585343841.db2.gz PBMSMOCHKZEQOX-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)CCO1 ZINC000757668204 585343842 /nfs/dbraw/zinc/34/38/42/585343842.db2.gz PBMSMOCHKZEQOX-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO C[C@H](O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000757906386 585346785 /nfs/dbraw/zinc/34/67/85/585346785.db2.gz XNTPFXIJBHEUTO-VIFPVBQESA-N 1 2 233.271 0.835 20 0 BCADLO CNC(=O)[C@@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000758123600 585349349 /nfs/dbraw/zinc/34/93/49/585349349.db2.gz DGKAZUCUTCGNAP-QMMMGPOBSA-N 1 2 238.291 0.119 20 0 BCADLO CC(C)[C@H](C)[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758302012 585353447 /nfs/dbraw/zinc/35/34/47/585353447.db2.gz WNLBEITXVJPRBY-JTQLQIEISA-N 1 2 249.318 0.825 20 0 BCADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758302012 585353448 /nfs/dbraw/zinc/35/34/48/585353448.db2.gz WNLBEITXVJPRBY-JTQLQIEISA-N 1 2 249.318 0.825 20 0 BCADLO CC[N@H+](Cn1ncn(C)c1=O)C1CCCC1 ZINC000758298143 585353488 /nfs/dbraw/zinc/35/34/88/585353488.db2.gz KRCOPIKZAPYPTB-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO CC[N@@H+](Cn1ncn(C)c1=O)C1CCCC1 ZINC000758298143 585353489 /nfs/dbraw/zinc/35/34/89/585353489.db2.gz KRCOPIKZAPYPTB-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333872 585354008 /nfs/dbraw/zinc/35/40/08/585354008.db2.gz ZELVDKPEIXNNNO-UWVGGRQHSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333872 585354009 /nfs/dbraw/zinc/35/40/09/585354009.db2.gz ZELVDKPEIXNNNO-UWVGGRQHSA-N 1 2 247.302 0.579 20 0 BCADLO CC(C)[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758352841 585354370 /nfs/dbraw/zinc/35/43/70/585354370.db2.gz UFXPZKKHOYSOSP-JTQLQIEISA-N 1 2 224.308 0.517 20 0 BCADLO CC(C)[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758352841 585354371 /nfs/dbraw/zinc/35/43/71/585354371.db2.gz UFXPZKKHOYSOSP-JTQLQIEISA-N 1 2 224.308 0.517 20 0 BCADLO CC(C)c1nnnn1Cc1[nH+]ccn1C ZINC000759050542 585363849 /nfs/dbraw/zinc/36/38/49/585363849.db2.gz ZOJRRXYQNNOMEF-UHFFFAOYSA-N 1 2 206.253 0.578 20 0 BCADLO Cc1[nH]c(C(=O)NCCC2(C)OCCO2)c[nH+]1 ZINC000759247373 585366322 /nfs/dbraw/zinc/36/63/22/585366322.db2.gz SSYZITGOQMAJDG-UHFFFAOYSA-N 1 2 239.275 0.601 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCF ZINC000759326775 585367337 /nfs/dbraw/zinc/36/73/37/585367337.db2.gz HMYZZXNVKPGSPM-SECBINFHSA-N 1 2 200.257 0.699 20 0 BCADLO Cn1cc(N2CC[NH+](CCF)CC2)cn1 ZINC000759345463 585369951 /nfs/dbraw/zinc/36/99/51/585369951.db2.gz GLMUJKOAZLGJCV-UHFFFAOYSA-N 1 2 212.272 0.512 20 0 BCADLO Cn1cc(C[NH+]2CCN(CCF)CC2)cn1 ZINC000759349641 585371024 /nfs/dbraw/zinc/37/10/24/585371024.db2.gz ZYLNESKLOWHWRP-UHFFFAOYSA-N 1 2 226.299 0.507 20 0 BCADLO Cn1cc(CN2CC[NH+](CCF)CC2)cn1 ZINC000759349641 585371025 /nfs/dbraw/zinc/37/10/25/585371025.db2.gz ZYLNESKLOWHWRP-UHFFFAOYSA-N 1 2 226.299 0.507 20 0 BCADLO FCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000759371407 585371729 /nfs/dbraw/zinc/37/17/29/585371729.db2.gz BJWFPWKTUIKZJK-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000759371407 585371730 /nfs/dbraw/zinc/37/17/30/585371730.db2.gz BJWFPWKTUIKZJK-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO NC(=O)CCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000759555608 585375977 /nfs/dbraw/zinc/37/59/77/585375977.db2.gz PCJMKGWVMXEORS-UHFFFAOYSA-N 1 2 247.254 0.295 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@H](C)C2)c(=O)o1 ZINC000759731877 585378642 /nfs/dbraw/zinc/37/86/42/585378642.db2.gz PBKLYGSPMHNNKO-QMMMGPOBSA-N 1 2 227.264 0.282 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@H](C)C2)c(=O)o1 ZINC000759731877 585378643 /nfs/dbraw/zinc/37/86/43/585378643.db2.gz PBKLYGSPMHNNKO-QMMMGPOBSA-N 1 2 227.264 0.282 20 0 BCADLO COCc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c(=O)o1 ZINC000759738051 585379704 /nfs/dbraw/zinc/37/97/04/585379704.db2.gz XPNLWAZELOIAOA-RKDXNWHRSA-N 1 2 241.291 0.528 20 0 BCADLO C[C@H]1CN(C(=O)c2cnco2)CC[N@@H+]1C ZINC000760174178 585386368 /nfs/dbraw/zinc/38/63/68/585386368.db2.gz YGCVNBPTXURMAK-QMMMGPOBSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1CN(C(=O)c2cnco2)CC[N@H+]1C ZINC000760174178 585386369 /nfs/dbraw/zinc/38/63/69/585386369.db2.gz YGCVNBPTXURMAK-QMMMGPOBSA-N 1 2 209.249 0.451 20 0 BCADLO Cn1ncc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000805210890 585396651 /nfs/dbraw/zinc/39/66/51/585396651.db2.gz ZZJRKTRQDOFFGB-UHFFFAOYSA-N 1 2 248.290 0.132 20 0 BCADLO CC(C)=CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000760913429 585401803 /nfs/dbraw/zinc/40/18/03/585401803.db2.gz AAOJKZFINHPDIG-QWRGUYRKSA-N 1 2 224.304 0.494 20 0 BCADLO CC(C)=CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000760913429 585401804 /nfs/dbraw/zinc/40/18/04/585401804.db2.gz AAOJKZFINHPDIG-QWRGUYRKSA-N 1 2 224.304 0.494 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000761069380 585405289 /nfs/dbraw/zinc/40/52/89/585405289.db2.gz LBNFVQPAJDIWEM-NWDGAFQWSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000761069380 585405290 /nfs/dbraw/zinc/40/52/90/585405290.db2.gz LBNFVQPAJDIWEM-NWDGAFQWSA-N 1 2 239.363 0.632 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761076627 585405758 /nfs/dbraw/zinc/40/57/58/585405758.db2.gz IIGUZHCWIMVELC-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@H](C)C1 ZINC000761076627 585405759 /nfs/dbraw/zinc/40/57/59/585405759.db2.gz IIGUZHCWIMVELC-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761078741 585406623 /nfs/dbraw/zinc/40/66/23/585406623.db2.gz XTVRNPKBIWBTCL-RYUDHWBXSA-N 1 2 241.379 0.927 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761078741 585406624 /nfs/dbraw/zinc/40/66/24/585406624.db2.gz XTVRNPKBIWBTCL-RYUDHWBXSA-N 1 2 241.379 0.927 20 0 BCADLO COCCc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761088275 585407608 /nfs/dbraw/zinc/40/76/08/585407608.db2.gz FSYAJDFASXKRCZ-DTWKUNHWSA-N 1 2 223.276 0.853 20 0 BCADLO COCCc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761088275 585407609 /nfs/dbraw/zinc/40/76/09/585407609.db2.gz FSYAJDFASXKRCZ-DTWKUNHWSA-N 1 2 223.276 0.853 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C(/C)C(=O)OC ZINC000761875817 585421604 /nfs/dbraw/zinc/42/16/04/585421604.db2.gz XVNXYFQNZWFQRV-RNKPRXRFSA-N 1 2 243.303 0.989 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C(/C)C(=O)OC ZINC000761875817 585421605 /nfs/dbraw/zinc/42/16/05/585421605.db2.gz XVNXYFQNZWFQRV-RNKPRXRFSA-N 1 2 243.303 0.989 20 0 BCADLO CN(C)c1cc(Cn2cnn(C)c2=O)cc[nH+]1 ZINC000762477512 585432894 /nfs/dbraw/zinc/43/28/94/585432894.db2.gz OJVHFBJVWWJGRH-UHFFFAOYSA-N 1 2 233.275 0.091 20 0 BCADLO COCC[N@H+](CCC(=O)OC)Cc1cocn1 ZINC000762994580 585441033 /nfs/dbraw/zinc/44/10/33/585441033.db2.gz HAUMJJZTVKGFML-UHFFFAOYSA-N 1 2 242.275 0.686 20 0 BCADLO COCC[N@@H+](CCC(=O)OC)Cc1cocn1 ZINC000762994580 585441034 /nfs/dbraw/zinc/44/10/34/585441034.db2.gz HAUMJJZTVKGFML-UHFFFAOYSA-N 1 2 242.275 0.686 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cnsn1 ZINC000763292782 585446194 /nfs/dbraw/zinc/44/61/94/585446194.db2.gz BPAMMSIFIXRJBN-UHFFFAOYSA-N 1 2 238.272 0.982 20 0 BCADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCOCCO ZINC000763419906 585448142 /nfs/dbraw/zinc/44/81/42/585448142.db2.gz JTZDQTPYYULONK-SNVBAGLBSA-N 1 2 248.323 0.555 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC1(CO)COC1 ZINC000763693429 585452863 /nfs/dbraw/zinc/45/28/63/585452863.db2.gz SWMWBNDXKJGNOO-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC1(CO)COC1 ZINC000763693429 585452864 /nfs/dbraw/zinc/45/28/64/585452864.db2.gz SWMWBNDXKJGNOO-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO C[NH+](C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC000763898518 585456620 /nfs/dbraw/zinc/45/66/20/585456620.db2.gz BFSYWDAPGNRESQ-ZCFIWIBFSA-N 1 2 230.205 0.955 20 0 BCADLO C[NH+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000763898518 585456621 /nfs/dbraw/zinc/45/66/21/585456621.db2.gz BFSYWDAPGNRESQ-ZCFIWIBFSA-N 1 2 230.205 0.955 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C(N)=O)c1ccccc1 ZINC000764204295 585461617 /nfs/dbraw/zinc/46/16/17/585461617.db2.gz PQGIWHMUUZVBBL-GFCCVEGCSA-N 1 2 249.314 0.281 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C(N)=O)c1ccccc1 ZINC000764204295 585461618 /nfs/dbraw/zinc/46/16/18/585461618.db2.gz PQGIWHMUUZVBBL-GFCCVEGCSA-N 1 2 249.314 0.281 20 0 BCADLO C[C@@H]1CN(C(=O)C2SCCS2)CC[N@@H+]1C ZINC000764400682 585464844 /nfs/dbraw/zinc/46/48/44/585464844.db2.gz DLDGVMGKPXYJGS-MRVPVSSYSA-N 1 2 246.401 0.955 20 0 BCADLO C[C@@H]1CN(C(=O)C2SCCS2)CC[N@H+]1C ZINC000764400682 585464845 /nfs/dbraw/zinc/46/48/45/585464845.db2.gz DLDGVMGKPXYJGS-MRVPVSSYSA-N 1 2 246.401 0.955 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C(C)(C)C ZINC000764836892 585475466 /nfs/dbraw/zinc/47/54/66/585475466.db2.gz HKIUXPMLJDRHCL-VHSXEESVSA-N 1 2 239.319 0.795 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000765054312 585480354 /nfs/dbraw/zinc/48/03/54/585480354.db2.gz SNXYOCGPXIUTOY-JTQLQIEISA-N 1 2 237.303 0.673 20 0 BCADLO Cc1c(C[N@@H+]2CCCNC(=O)C2)cnn1C ZINC000766049779 585496817 /nfs/dbraw/zinc/49/68/17/585496817.db2.gz XGLLYGLRVNVXLA-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1c(C[N@H+]2CCCNC(=O)C2)cnn1C ZINC000766049779 585496818 /nfs/dbraw/zinc/49/68/18/585496818.db2.gz XGLLYGLRVNVXLA-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767616966 585523313 /nfs/dbraw/zinc/52/33/13/585523313.db2.gz CLIOIVKJKBFGPA-LLVKDONJSA-N 1 2 238.331 0.956 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767616966 585523314 /nfs/dbraw/zinc/52/33/14/585523314.db2.gz CLIOIVKJKBFGPA-LLVKDONJSA-N 1 2 238.331 0.956 20 0 BCADLO Cc1cc(NC(=O)N[C@H](CO)C2CC2)cc[nH+]1 ZINC000767895165 585527851 /nfs/dbraw/zinc/52/78/51/585527851.db2.gz IJBVRFSMDZBWNS-LLVKDONJSA-N 1 2 235.287 0.704 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cn(C)nc1C ZINC000768301677 585535515 /nfs/dbraw/zinc/53/55/15/585535515.db2.gz HIMMVBSRALCPON-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cn(C)nc1C ZINC000768301677 585535516 /nfs/dbraw/zinc/53/55/16/585535516.db2.gz HIMMVBSRALCPON-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnn2ccccc12 ZINC000768916090 585545865 /nfs/dbraw/zinc/54/58/65/585545865.db2.gz RSHVMXQWHYLOTQ-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000768916090 585545866 /nfs/dbraw/zinc/54/58/66/585545866.db2.gz RSHVMXQWHYLOTQ-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CCCNC(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768932741 585546075 /nfs/dbraw/zinc/54/60/75/585546075.db2.gz PIEIKGAVMQVVDR-UHFFFAOYSA-N 1 2 245.323 0.826 20 0 BCADLO CC[C@H](O[NH+]=C(N)COC(C)(C)C)C(N)=O ZINC000768935016 585546334 /nfs/dbraw/zinc/54/63/34/585546334.db2.gz QTULCKFHNDGTFF-ZETCQYMHSA-N 1 2 231.296 0.564 20 0 BCADLO Cn1ncnc1CO[NH+]=C(N)COC(C)(C)C ZINC000768935074 585546550 /nfs/dbraw/zinc/54/65/50/585546550.db2.gz RVWJZFUBHGUIOO-UHFFFAOYSA-N 1 2 241.295 0.629 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2COC(C)(C)O2)c[nH+]1 ZINC000769216946 585551274 /nfs/dbraw/zinc/55/12/74/585551274.db2.gz PSXBFMSSGXVDOI-MRVPVSSYSA-N 1 2 239.275 0.599 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769394707 585555286 /nfs/dbraw/zinc/55/52/86/585555286.db2.gz BYTSQAVNMOIIJJ-CQSZACIVSA-N 1 2 249.310 0.910 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769394707 585555287 /nfs/dbraw/zinc/55/52/87/585555287.db2.gz BYTSQAVNMOIIJJ-CQSZACIVSA-N 1 2 249.310 0.910 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000769484095 585558210 /nfs/dbraw/zinc/55/82/10/585558210.db2.gz URVMPOPSANCTNL-SNVBAGLBSA-N 1 2 222.244 0.916 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000769484095 585558211 /nfs/dbraw/zinc/55/82/11/585558211.db2.gz URVMPOPSANCTNL-SNVBAGLBSA-N 1 2 222.244 0.916 20 0 BCADLO C[C@H](NC(=S)NC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000769791763 585563655 /nfs/dbraw/zinc/56/36/55/585563655.db2.gz HXMLCCOXZULJGT-WPRPVWTQSA-N 1 2 243.376 0.332 20 0 BCADLO C[C@H](NC(=S)NC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791763 585563656 /nfs/dbraw/zinc/56/36/56/585563656.db2.gz HXMLCCOXZULJGT-WPRPVWTQSA-N 1 2 243.376 0.332 20 0 BCADLO c1cc(C[NH2+]Cc2nnnn2CC2CC2)co1 ZINC000769936709 585566863 /nfs/dbraw/zinc/56/68/63/585566863.db2.gz OCHCJICIQPIWEQ-UHFFFAOYSA-N 1 2 233.275 0.966 20 0 BCADLO COC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000770082527 585570588 /nfs/dbraw/zinc/57/05/88/585570588.db2.gz WTOBYBZNHQSGOW-VIFPVBQESA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000770082518 585570620 /nfs/dbraw/zinc/57/06/20/585570620.db2.gz WTOBYBZNHQSGOW-SECBINFHSA-N 1 2 242.275 0.122 20 0 BCADLO CCC[C@@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000770210876 585571753 /nfs/dbraw/zinc/57/17/53/585571753.db2.gz XSANGZUFKYQRBQ-GFCCVEGCSA-N 1 2 245.319 0.413 20 0 BCADLO CN(C)C(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770395571 585573870 /nfs/dbraw/zinc/57/38/70/585573870.db2.gz JUGMILSJRQYAQC-UHFFFAOYSA-N 1 2 246.270 0.152 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+](C)CCc2cnccn2)C1 ZINC000770662055 585579173 /nfs/dbraw/zinc/57/91/73/585579173.db2.gz OSTHWYKBCDNHMI-LLVKDONJSA-N 1 2 248.330 0.777 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+](C)CCc2cnccn2)C1 ZINC000770662055 585579174 /nfs/dbraw/zinc/57/91/74/585579174.db2.gz OSTHWYKBCDNHMI-LLVKDONJSA-N 1 2 248.330 0.777 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000770704262 585580152 /nfs/dbraw/zinc/58/01/52/585580152.db2.gz DIVOEBMICWMBGG-NSHDSACASA-N 1 2 245.319 0.485 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000770704262 585580153 /nfs/dbraw/zinc/58/01/53/585580153.db2.gz DIVOEBMICWMBGG-NSHDSACASA-N 1 2 245.319 0.485 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000771093793 585590204 /nfs/dbraw/zinc/59/02/04/585590204.db2.gz ZWDPAFOPYCUQRM-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO CCc1nnc(C[NH2+]C2(C(N)=O)CCCC2)[nH]1 ZINC000771762103 585599962 /nfs/dbraw/zinc/59/99/62/585599962.db2.gz GRKIAJLOKRESST-UHFFFAOYSA-N 1 2 237.307 0.255 20 0 BCADLO O=C(C[C@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000771909425 585604470 /nfs/dbraw/zinc/60/44/70/585604470.db2.gz AOGZGYYNIRWCDE-SNVBAGLBSA-N 1 2 224.260 0.995 20 0 BCADLO Cn1ccc(C(=O)OCCn2cc[nH+]c2)cc1=O ZINC000771922012 585604527 /nfs/dbraw/zinc/60/45/27/585604527.db2.gz OIHPEIBXXKLAMO-UHFFFAOYSA-N 1 2 247.254 0.439 20 0 BCADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)nn1C ZINC000771924801 585604665 /nfs/dbraw/zinc/60/46/65/585604665.db2.gz FRVSWMKFPPGTKU-UHFFFAOYSA-N 1 2 234.259 0.782 20 0 BCADLO Cn1cc(CC(=O)OCCn2cc[nH+]c2)cn1 ZINC000771943204 585605200 /nfs/dbraw/zinc/60/52/00/585605200.db2.gz KNDVZDLGDXEEEP-UHFFFAOYSA-N 1 2 234.259 0.403 20 0 BCADLO Cn1cccc(C(=O)OCCn2cc[nH+]c2)c1=O ZINC000771973572 585605869 /nfs/dbraw/zinc/60/58/69/585605869.db2.gz WSMOCEIUCQUTEN-UHFFFAOYSA-N 1 2 247.254 0.439 20 0 BCADLO Cc1nnccc1C(=O)OCCn1cc[nH+]c1 ZINC000772024784 585607106 /nfs/dbraw/zinc/60/71/06/585607106.db2.gz TYTWRXYJKBOLMT-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1CC(=O)C1 ZINC000772036102 585607508 /nfs/dbraw/zinc/60/75/08/585607508.db2.gz IRZZTGSFHIDRTN-UHFFFAOYSA-N 1 2 208.217 0.405 20 0 BCADLO Cc1c[nH]cc(C(=O)OCCn2cc[nH+]c2)c1=O ZINC000772257558 585611282 /nfs/dbraw/zinc/61/12/82/585611282.db2.gz FHTUUYFFEDLOEH-UHFFFAOYSA-N 1 2 247.254 0.737 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000772330496 585612702 /nfs/dbraw/zinc/61/27/02/585612702.db2.gz YVDOEFGJLJAYEB-NSHDSACASA-N 1 2 243.303 0.431 20 0 BCADLO O=C(Cc1ccoc1)OCC[NH+]1CCOCC1 ZINC000772573145 585618463 /nfs/dbraw/zinc/61/84/63/585618463.db2.gz ZVSHSLVFBLTMND-UHFFFAOYSA-N 1 2 239.271 0.698 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H]2CCOC2)C1 ZINC000805468484 585620347 /nfs/dbraw/zinc/62/03/47/585620347.db2.gz GNFIZOMTEFTMJF-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H]2CCOC2)C1 ZINC000805468484 585620348 /nfs/dbraw/zinc/62/03/48/585620348.db2.gz GNFIZOMTEFTMJF-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO Cn1ccnc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772695978 585620800 /nfs/dbraw/zinc/62/08/00/585620800.db2.gz FDFIEMWAQJMWKY-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1ccnc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772695978 585620801 /nfs/dbraw/zinc/62/08/01/585620801.db2.gz FDFIEMWAQJMWKY-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H]2CCCO2)C1 ZINC000805471746 585624127 /nfs/dbraw/zinc/62/41/27/585624127.db2.gz SKRXFRMUKBOCCM-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H]2CCCO2)C1 ZINC000805471746 585624128 /nfs/dbraw/zinc/62/41/28/585624128.db2.gz SKRXFRMUKBOCCM-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)CCOC)C1 ZINC000805471594 585624238 /nfs/dbraw/zinc/62/42/38/585624238.db2.gz ORSFDHKDDWVMBD-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)CCOC)C1 ZINC000805471594 585624239 /nfs/dbraw/zinc/62/42/39/585624239.db2.gz ORSFDHKDDWVMBD-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC[C@H](C)O)C1 ZINC000805472175 585624488 /nfs/dbraw/zinc/62/44/88/585624488.db2.gz DYXKSNAVWRPOSR-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCC[C@H](C)O)C1 ZINC000805472175 585624489 /nfs/dbraw/zinc/62/44/89/585624489.db2.gz DYXKSNAVWRPOSR-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO C/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811810 585624762 /nfs/dbraw/zinc/62/47/62/585624762.db2.gz IGMFSRRSFHHLKS-SGJFDWMWSA-N 1 2 205.261 0.959 20 0 BCADLO CC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811810 585624763 /nfs/dbraw/zinc/62/47/63/585624763.db2.gz IGMFSRRSFHHLKS-SGJFDWMWSA-N 1 2 205.261 0.959 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCC(C)=O)C1 ZINC000805475512 585628317 /nfs/dbraw/zinc/62/83/17/585628317.db2.gz SEAOFLUNIOOJEN-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCC(C)=O)C1 ZINC000805475512 585628318 /nfs/dbraw/zinc/62/83/18/585628318.db2.gz SEAOFLUNIOOJEN-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCCO)C1 ZINC000805476813 585630738 /nfs/dbraw/zinc/63/07/38/585630738.db2.gz ACXLVMNGIQZELJ-NSHDSACASA-N 1 2 245.319 0.413 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCCCO)C1 ZINC000805476813 585630739 /nfs/dbraw/zinc/63/07/39/585630739.db2.gz ACXLVMNGIQZELJ-NSHDSACASA-N 1 2 245.319 0.413 20 0 BCADLO C[C@@H](C(=O)NN1CCCC1)[NH+]1CCSCC1 ZINC000773406871 585636256 /nfs/dbraw/zinc/63/62/56/585636256.db2.gz BDBHSEVPBBYWGT-JTQLQIEISA-N 1 2 243.376 0.551 20 0 BCADLO CS[C@H](C)C(=O)NOC1CC[NH+](C)CC1 ZINC000773551436 585640360 /nfs/dbraw/zinc/64/03/60/585640360.db2.gz QKXUNBZDNOVBKD-MRVPVSSYSA-N 1 2 232.349 0.880 20 0 BCADLO CS[C@@H](C)C(=O)NOC1CC[NH+](C)CC1 ZINC000773551437 585640552 /nfs/dbraw/zinc/64/05/52/585640552.db2.gz QKXUNBZDNOVBKD-QMMMGPOBSA-N 1 2 232.349 0.880 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1=COCC1 ZINC000773830896 585644546 /nfs/dbraw/zinc/64/45/46/585644546.db2.gz OWLXIMGFQIIXGI-UHFFFAOYSA-N 1 2 221.260 0.383 20 0 BCADLO CC(C)C1(O)C[NH+](CC(=O)N(C)CC2CC2)C1 ZINC000773891458 585645809 /nfs/dbraw/zinc/64/58/09/585645809.db2.gz YLTHFDDBWUIXNB-UHFFFAOYSA-N 1 2 240.347 0.558 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)OC ZINC000774555232 585660597 /nfs/dbraw/zinc/66/05/97/585660597.db2.gz GVKFIRPGMZKJGS-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)OC ZINC000774555232 585660598 /nfs/dbraw/zinc/66/05/98/585660598.db2.gz GVKFIRPGMZKJGS-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)CCO1 ZINC000774556423 585660792 /nfs/dbraw/zinc/66/07/92/585660792.db2.gz VPSIVEYBBCENDW-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)CCO1 ZINC000774556423 585660793 /nfs/dbraw/zinc/66/07/93/585660793.db2.gz VPSIVEYBBCENDW-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)N(C)OC)cn1 ZINC000774625878 585662464 /nfs/dbraw/zinc/66/24/64/585662464.db2.gz CVPNXYJOUZKNDH-UHFFFAOYSA-N 1 2 240.307 0.355 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)N(C)OC)cn1 ZINC000774625878 585662465 /nfs/dbraw/zinc/66/24/65/585662465.db2.gz CVPNXYJOUZKNDH-UHFFFAOYSA-N 1 2 240.307 0.355 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cn1ccsc1=O ZINC000774661131 585662878 /nfs/dbraw/zinc/66/28/78/585662878.db2.gz VELAVEOTDWCIIN-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cn1ccsc1=O ZINC000774661131 585662879 /nfs/dbraw/zinc/66/28/79/585662879.db2.gz VELAVEOTDWCIIN-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCC=CO2)CCN1C1CC1 ZINC000774884348 585668357 /nfs/dbraw/zinc/66/83/57/585668357.db2.gz KTFHRQUFLAABNO-GFCCVEGCSA-N 1 2 236.315 0.986 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCC=CO2)CCN1C1CC1 ZINC000774884348 585668358 /nfs/dbraw/zinc/66/83/58/585668358.db2.gz KTFHRQUFLAABNO-GFCCVEGCSA-N 1 2 236.315 0.986 20 0 BCADLO C[C@@H](C(=O)OCCCO)[NH+]1CCSCC1 ZINC000774975624 585670189 /nfs/dbraw/zinc/67/01/89/585670189.db2.gz BTRDFMLJJDGXMC-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000775570347 585680123 /nfs/dbraw/zinc/68/01/23/585680123.db2.gz XWOQVJNPFRNNOY-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000775570347 585680124 /nfs/dbraw/zinc/68/01/24/585680124.db2.gz XWOQVJNPFRNNOY-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOC1CCCC1 ZINC000775600890 585681255 /nfs/dbraw/zinc/68/12/55/585681255.db2.gz NUPIQVNNTUNFBV-UHFFFAOYSA-N 1 2 242.319 0.699 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC1OCCO1 ZINC000775806560 585685497 /nfs/dbraw/zinc/68/54/97/585685497.db2.gz KGOVXOQGAARQHL-UWVGGRQHSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC1OCCO1 ZINC000775806560 585685498 /nfs/dbraw/zinc/68/54/98/585685498.db2.gz KGOVXOQGAARQHL-UWVGGRQHSA-N 1 2 243.303 0.633 20 0 BCADLO COc1ccc(C[N@H+](C)CC(N)=O)nc1 ZINC000775941463 585688198 /nfs/dbraw/zinc/68/81/98/585688198.db2.gz VHLNCRBYFBXMIJ-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(N)=O)nc1 ZINC000775941463 585688199 /nfs/dbraw/zinc/68/81/99/585688199.db2.gz VHLNCRBYFBXMIJ-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO Cc1nnc(CN2CC[NH+](CCF)CC2)[nH]1 ZINC000775988150 585688860 /nfs/dbraw/zinc/68/88/60/585688860.db2.gz UTIZBTSUSCPKCK-UHFFFAOYSA-N 1 2 227.287 0.200 20 0 BCADLO CC(C)CONC(=O)Cc1c[nH+]cn1C ZINC000776675756 585703100 /nfs/dbraw/zinc/70/31/00/585703100.db2.gz ANRYKSVQRSJBTQ-UHFFFAOYSA-N 1 2 211.265 0.666 20 0 BCADLO CCC[N@H+](CC)Cn1ncc2cn(C)nc2c1=O ZINC000776762131 585704906 /nfs/dbraw/zinc/70/49/06/585704906.db2.gz ZXKSRHKXKRWBKA-UHFFFAOYSA-N 1 2 249.318 0.819 20 0 BCADLO CCC[N@@H+](CC)Cn1ncc2cn(C)nc2c1=O ZINC000776762131 585704907 /nfs/dbraw/zinc/70/49/07/585704907.db2.gz ZXKSRHKXKRWBKA-UHFFFAOYSA-N 1 2 249.318 0.819 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776801604 585705956 /nfs/dbraw/zinc/70/59/56/585705956.db2.gz WLNDTLKQTHMQTP-SNVBAGLBSA-N 1 2 228.292 0.117 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776801604 585705957 /nfs/dbraw/zinc/70/59/57/585705957.db2.gz WLNDTLKQTHMQTP-SNVBAGLBSA-N 1 2 228.292 0.117 20 0 BCADLO C[C@@](O)(C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000805576501 585706904 /nfs/dbraw/zinc/70/69/04/585706904.db2.gz ADQINLWNIILMHW-LBPRGKRZSA-N 1 2 236.271 0.868 20 0 BCADLO NC(=O)C1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000777015217 585707269 /nfs/dbraw/zinc/70/72/69/585707269.db2.gz SXKRCFZVWOSLKW-UHFFFAOYSA-N 1 2 244.254 0.082 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)CC1OCCO1 ZINC000777549626 585714991 /nfs/dbraw/zinc/71/49/91/585714991.db2.gz DLIJQSJUBHUEMJ-UHFFFAOYSA-N 1 2 230.308 0.206 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)CC1OCCO1 ZINC000777549626 585714992 /nfs/dbraw/zinc/71/49/92/585714992.db2.gz DLIJQSJUBHUEMJ-UHFFFAOYSA-N 1 2 230.308 0.206 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2cccnn21 ZINC000777861176 585721725 /nfs/dbraw/zinc/72/17/25/585721725.db2.gz WGPDKIUIVNIISO-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=[S@@](CCO)Cc1cn2ccccc2[nH+]1 ZINC000777876110 585722131 /nfs/dbraw/zinc/72/21/31/585722131.db2.gz YSOPALVKYQWRLL-HNNXBMFYSA-N 1 2 224.285 0.575 20 0 BCADLO CC[N@H+](C[C@H](O)C(F)(F)F)CC1OCCO1 ZINC000778201510 585727456 /nfs/dbraw/zinc/72/74/56/585727456.db2.gz JEWMXQJCCNDCJI-ZETCQYMHSA-N 1 2 243.225 0.604 20 0 BCADLO CC[N@@H+](C[C@H](O)C(F)(F)F)CC1OCCO1 ZINC000778201510 585727457 /nfs/dbraw/zinc/72/74/57/585727457.db2.gz JEWMXQJCCNDCJI-ZETCQYMHSA-N 1 2 243.225 0.604 20 0 BCADLO c1c[nH+]c([C@H]2CCCN2CC2OCCO2)[nH]1 ZINC000778228561 585728187 /nfs/dbraw/zinc/72/81/87/585728187.db2.gz LEHRFZNTHHAZSV-SECBINFHSA-N 1 2 223.276 0.920 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@H+]2CC2OCCO2)n1 ZINC000778228561 585728188 /nfs/dbraw/zinc/72/81/88/585728188.db2.gz LEHRFZNTHHAZSV-SECBINFHSA-N 1 2 223.276 0.920 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@@H+]2CC2OCCO2)n1 ZINC000778228561 585728189 /nfs/dbraw/zinc/72/81/89/585728189.db2.gz LEHRFZNTHHAZSV-SECBINFHSA-N 1 2 223.276 0.920 20 0 BCADLO Cn1ccnc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000778253152 585729593 /nfs/dbraw/zinc/72/95/93/585729593.db2.gz OXRGAINOJCXWDJ-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCF ZINC000778418719 585734480 /nfs/dbraw/zinc/73/44/80/585734480.db2.gz VBVANPWDDYIKKB-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCF ZINC000778418719 585734481 /nfs/dbraw/zinc/73/44/81/585734481.db2.gz VBVANPWDDYIKKB-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO COCC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000778874107 585741981 /nfs/dbraw/zinc/74/19/81/585741981.db2.gz VVMVGJOJYNJBAO-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO C/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779097105 585745079 /nfs/dbraw/zinc/74/50/79/585745079.db2.gz UDMQCJCMPOMMOJ-GKQMSVHHSA-N 1 2 205.261 0.890 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000779736815 585760341 /nfs/dbraw/zinc/76/03/41/585760341.db2.gz KPZZLATVPKMAGK-ZJUUUORDSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@@H](CO)C(=O)NCCc1c[nH+]cn1C ZINC000779835905 585768221 /nfs/dbraw/zinc/76/82/21/585768221.db2.gz VCQYSWREBFGYPO-VIFPVBQESA-N 1 2 225.292 0.097 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779841047 585768651 /nfs/dbraw/zinc/76/86/51/585768651.db2.gz HWRQETHQSSFQNV-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO COC[C@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000780128978 585772927 /nfs/dbraw/zinc/77/29/27/585772927.db2.gz XIGQZHHSEADDOF-VIFPVBQESA-N 1 2 247.364 0.569 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1=O ZINC000781428761 585795976 /nfs/dbraw/zinc/79/59/76/585795976.db2.gz WRKPIIUBBOWMOE-JTQLQIEISA-N 1 2 249.314 0.459 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1=O ZINC000781428761 585795977 /nfs/dbraw/zinc/79/59/77/585795977.db2.gz WRKPIIUBBOWMOE-JTQLQIEISA-N 1 2 249.314 0.459 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC=CO1 ZINC000781497547 585797623 /nfs/dbraw/zinc/79/76/23/585797623.db2.gz STVNXDJTVIDXAG-SNVBAGLBSA-N 1 2 221.260 0.692 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781559960 585798541 /nfs/dbraw/zinc/79/85/41/585798541.db2.gz XVTJALFCGATPHH-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781559960 585798542 /nfs/dbraw/zinc/79/85/42/585798542.db2.gz XVTJALFCGATPHH-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000781961789 585806010 /nfs/dbraw/zinc/80/60/10/585806010.db2.gz IXOGPFMUCXZSHN-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000781961789 585806011 /nfs/dbraw/zinc/80/60/11/585806011.db2.gz IXOGPFMUCXZSHN-JTQLQIEISA-N 1 2 241.291 0.615 20 0 BCADLO O=C(NN1CN=NC1=O)c1cccc2[nH+]ccn21 ZINC000782126833 585808067 /nfs/dbraw/zinc/80/80/67/585808067.db2.gz FPQRWABLQLZIIG-UHFFFAOYSA-N 1 2 244.214 0.015 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782176732 585809783 /nfs/dbraw/zinc/80/97/83/585809783.db2.gz XWFKKFDKRLJLNF-UHFFFAOYSA-N 1 2 236.319 0.325 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782176732 585809784 /nfs/dbraw/zinc/80/97/84/585809784.db2.gz XWFKKFDKRLJLNF-UHFFFAOYSA-N 1 2 236.319 0.325 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)CO ZINC000782268474 585813451 /nfs/dbraw/zinc/81/34/51/585813451.db2.gz YCXDAQQOFHLZJH-SNVBAGLBSA-N 1 2 245.319 0.269 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCOC[C@H]1CCCO1 ZINC000782336817 585815411 /nfs/dbraw/zinc/81/54/11/585815411.db2.gz GDVOFIXXAIHRGR-NXEZZACHSA-N 1 2 246.307 0.715 20 0 BCADLO Cc1nc(N2C[C@H]3C[C@@]3(CO)C2)cc[nH+]1 ZINC000782409804 585817607 /nfs/dbraw/zinc/81/76/07/585817607.db2.gz YNALSRULHWTAGM-KOLCDFICSA-N 1 2 205.261 0.604 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnoc1C ZINC000782483026 585818739 /nfs/dbraw/zinc/81/87/39/585818739.db2.gz OMJYHXYRCGLUQF-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnoc1C ZINC000782483026 585818740 /nfs/dbraw/zinc/81/87/40/585818740.db2.gz OMJYHXYRCGLUQF-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1ccccc1=O ZINC000782584040 585820450 /nfs/dbraw/zinc/82/04/50/585820450.db2.gz HDWZTIURBAJBAI-NSHDSACASA-N 1 2 249.314 0.011 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCn1ccccc1=O ZINC000782584040 585820451 /nfs/dbraw/zinc/82/04/51/585820451.db2.gz HDWZTIURBAJBAI-NSHDSACASA-N 1 2 249.314 0.011 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609917 585822031 /nfs/dbraw/zinc/82/20/31/585822031.db2.gz SWMZDYZBJSORSU-WDEREUQCSA-N 1 2 247.360 0.125 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609917 585822032 /nfs/dbraw/zinc/82/20/32/585822032.db2.gz SWMZDYZBJSORSU-WDEREUQCSA-N 1 2 247.360 0.125 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)no1 ZINC000782622209 585823123 /nfs/dbraw/zinc/82/31/23/585823123.db2.gz XEOBKHDPGFRQLQ-KOLCDFICSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)no1 ZINC000782622209 585823124 /nfs/dbraw/zinc/82/31/24/585823124.db2.gz XEOBKHDPGFRQLQ-KOLCDFICSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)no1 ZINC000782622207 585823126 /nfs/dbraw/zinc/82/31/26/585823126.db2.gz XEOBKHDPGFRQLQ-GXSJLCMTSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)no1 ZINC000782622207 585823127 /nfs/dbraw/zinc/82/31/27/585823127.db2.gz XEOBKHDPGFRQLQ-GXSJLCMTSA-N 1 2 208.261 0.797 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000782628530 585823363 /nfs/dbraw/zinc/82/33/63/585823363.db2.gz OOWYYAGGIKPBIV-UTLUCORTSA-N 1 2 235.349 0.529 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000782628530 585823364 /nfs/dbraw/zinc/82/33/64/585823364.db2.gz OOWYYAGGIKPBIV-UTLUCORTSA-N 1 2 235.349 0.529 20 0 BCADLO CN(C)c1nccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000783474384 585835525 /nfs/dbraw/zinc/83/55/25/585835525.db2.gz LSHIWEHMXGPIMC-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO CN(C)c1nccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000783474384 585835526 /nfs/dbraw/zinc/83/55/26/585835526.db2.gz LSHIWEHMXGPIMC-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO COC[C@H](C)CN1CC[NH+](CCCCO)CC1 ZINC000783564151 585836830 /nfs/dbraw/zinc/83/68/30/585836830.db2.gz BRKMICAVCWVRTJ-CYBMUJFWSA-N 1 2 244.379 0.659 20 0 BCADLO C[C@H]1C[C@H](C(=O)OCC[NH+]2CCOCC2)CO1 ZINC000784276342 585853339 /nfs/dbraw/zinc/85/33/39/585853339.db2.gz HWCIDFCRJVRNBO-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)[C@H](F)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000784390433 585858332 /nfs/dbraw/zinc/85/83/32/585858332.db2.gz YXJIBTSWMUILAG-NSHDSACASA-N 1 2 246.326 0.771 20 0 BCADLO Cc1nc(F)ccc1C[NH2+]Cc1cn(C)nn1 ZINC000785514401 585874865 /nfs/dbraw/zinc/87/48/65/585874865.db2.gz PDXLSSTXPZGVTL-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO Cn1ncc(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000786169061 585888239 /nfs/dbraw/zinc/88/82/39/585888239.db2.gz TZHVWOUFJRLFAP-UHFFFAOYSA-N 1 2 248.290 0.222 20 0 BCADLO CN1C(=O)CC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000786192457 585888548 /nfs/dbraw/zinc/88/85/48/585888548.db2.gz WAUCYDNNGKMJBF-SECBINFHSA-N 1 2 237.259 0.047 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000786377440 585890402 /nfs/dbraw/zinc/89/04/02/585890402.db2.gz JDJVCWJQDBKXSF-NXEZZACHSA-N 1 2 213.277 0.518 20 0 BCADLO COC/C=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000786602373 585895729 /nfs/dbraw/zinc/89/57/29/585895729.db2.gz IFXQJVZWVMQWGS-BYCRGOAPSA-N 1 2 243.303 0.453 20 0 BCADLO C[C@H](O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000786740212 585896776 /nfs/dbraw/zinc/89/67/76/585896776.db2.gz WNIOHBGUJKFIKC-VIFPVBQESA-N 1 2 246.270 0.264 20 0 BCADLO C[S@](=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787333944 585907083 /nfs/dbraw/zinc/90/70/83/585907083.db2.gz MVMZOVNBELEUSW-QFYYESIMSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787333944 585907084 /nfs/dbraw/zinc/90/70/84/585907084.db2.gz MVMZOVNBELEUSW-QFYYESIMSA-N 1 2 244.360 0.108 20 0 BCADLO CCNC(=S)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788332111 585922082 /nfs/dbraw/zinc/92/20/82/585922082.db2.gz JSZBKYQRTSYVJT-JTQLQIEISA-N 1 2 245.392 0.533 20 0 BCADLO CCNC(=S)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788332114 585922138 /nfs/dbraw/zinc/92/21/38/585922138.db2.gz JSZBKYQRTSYVJT-SNVBAGLBSA-N 1 2 245.392 0.533 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H]1CCOC1=O)C1CC1 ZINC000788466968 585924907 /nfs/dbraw/zinc/92/49/07/585924907.db2.gz XXFMBMOCAUMNIW-NXEZZACHSA-N 1 2 241.287 0.481 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000788648022 585928460 /nfs/dbraw/zinc/92/84/60/585928460.db2.gz IHDUDJMGNNFEDF-MRVPVSSYSA-N 1 2 239.275 0.030 20 0 BCADLO [O-]C1=C[NH+]=C(N[NH2+]CCc2ccccn2)C1 ZINC000789124581 585935590 /nfs/dbraw/zinc/93/55/90/585935590.db2.gz IRRSWZFRUKWZDD-UHFFFAOYSA-N 1 2 218.260 0.572 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000789305942 585939435 /nfs/dbraw/zinc/93/94/35/585939435.db2.gz FQVWEAGNXLCZDY-CMPLNLGQSA-N 1 2 236.319 0.673 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000789305942 585939436 /nfs/dbraw/zinc/93/94/36/585939436.db2.gz FQVWEAGNXLCZDY-CMPLNLGQSA-N 1 2 236.319 0.673 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCCCCCF ZINC000789591433 585945000 /nfs/dbraw/zinc/94/50/00/585945000.db2.gz OJTSINZYLWMNMU-UHFFFAOYSA-N 1 2 247.314 0.957 20 0 BCADLO COC[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789604255 585945835 /nfs/dbraw/zinc/94/58/35/585945835.db2.gz ALIVRJKTPBCAIE-JGVFFNPUSA-N 1 2 202.254 0.699 20 0 BCADLO CCc1nnc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789626798 585947265 /nfs/dbraw/zinc/94/72/65/585947265.db2.gz IRBOKMHBLWIIDL-SSDOTTSWSA-N 1 2 240.263 0.809 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)C[C@H](C)OC)C1 ZINC000789775129 585949775 /nfs/dbraw/zinc/94/97/75/585949775.db2.gz QIEMBMUCRFGKME-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CC(=O)NCC(=O)OCCCc1[nH+]ccn1C ZINC000789791269 585950149 /nfs/dbraw/zinc/95/01/49/585950149.db2.gz IZJQJXLTBMHABA-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO CC[C@H](C(=O)NC1=[NH+]CCS1)[C@H](C)O ZINC000790070680 585957183 /nfs/dbraw/zinc/95/71/83/585957183.db2.gz ZBEPNWFNGPPWKA-BQBZGAKWSA-N 1 2 216.306 0.612 20 0 BCADLO CC[C@@H](C(=O)NC1=[NH+]CCS1)[C@@H](C)O ZINC000790070682 585957264 /nfs/dbraw/zinc/95/72/64/585957264.db2.gz ZBEPNWFNGPPWKA-RNFRBKRXSA-N 1 2 216.306 0.612 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000790433656 585964678 /nfs/dbraw/zinc/96/46/78/585964678.db2.gz WAVFQVSZZMOENI-JTQLQIEISA-N 1 2 244.335 0.753 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000790433656 585964679 /nfs/dbraw/zinc/96/46/79/585964679.db2.gz WAVFQVSZZMOENI-JTQLQIEISA-N 1 2 244.335 0.753 20 0 BCADLO COCCONC(=O)c1cccc2[nH+]ccn21 ZINC000790451432 585964822 /nfs/dbraw/zinc/96/48/22/585964822.db2.gz RRCRDAGUDSFXSM-UHFFFAOYSA-N 1 2 235.243 0.642 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000790451584 585964875 /nfs/dbraw/zinc/96/48/75/585964875.db2.gz NMBRCIAPKSIMJH-SNVBAGLBSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000790451584 585964876 /nfs/dbraw/zinc/96/48/76/585964876.db2.gz NMBRCIAPKSIMJH-SNVBAGLBSA-N 1 2 229.320 0.888 20 0 BCADLO Cc1[nH]ncc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000805937456 585970608 /nfs/dbraw/zinc/97/06/08/585970608.db2.gz BVFLIMOKUZMELB-VIFPVBQESA-N 1 2 241.266 0.919 20 0 BCADLO Cc1[nH]ncc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000805937456 585970609 /nfs/dbraw/zinc/97/06/09/585970609.db2.gz BVFLIMOKUZMELB-VIFPVBQESA-N 1 2 241.266 0.919 20 0 BCADLO C[N@H+](CCC1OCCO1)Cc1ncc[nH]1 ZINC000791048405 585972750 /nfs/dbraw/zinc/97/27/50/585972750.db2.gz OWZSIWJUBNSPOR-UHFFFAOYSA-N 1 2 211.265 0.605 20 0 BCADLO C[N@@H+](CCC1OCCO1)Cc1ncc[nH]1 ZINC000791048405 585972751 /nfs/dbraw/zinc/97/27/51/585972751.db2.gz OWZSIWJUBNSPOR-UHFFFAOYSA-N 1 2 211.265 0.605 20 0 BCADLO COC/C=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000791326654 585977245 /nfs/dbraw/zinc/97/72/45/585977245.db2.gz HHQMDJXTXQVZGE-BYCRGOAPSA-N 1 2 242.319 0.026 20 0 BCADLO CC[C@@H](C(=O)OC)C(=O)OCCn1cc[nH+]c1 ZINC000791637040 585985462 /nfs/dbraw/zinc/98/54/62/585985462.db2.gz RXUVOPNBGSDTDX-VIFPVBQESA-N 1 2 240.259 0.626 20 0 BCADLO Nc1cc(COC(=O)CCn2ccnn2)cc[nH+]1 ZINC000791678511 585986165 /nfs/dbraw/zinc/98/61/65/585986165.db2.gz XZGNYGACDWPFFN-UHFFFAOYSA-N 1 2 247.258 0.389 20 0 BCADLO C[C@@H](O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000791927744 585991564 /nfs/dbraw/zinc/99/15/64/585991564.db2.gz BGBLMYKFXGOJQD-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO C[C@@H](O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000791927744 585991565 /nfs/dbraw/zinc/99/15/65/585991565.db2.gz BGBLMYKFXGOJQD-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO CC(=O)OC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000792369271 585999967 /nfs/dbraw/zinc/99/99/67/585999967.db2.gz GEFMINHLPOCOAE-UHFFFAOYSA-N 1 2 240.259 0.768 20 0 BCADLO C[S@@](=O)CC[NH+]1CCN(CC2(F)CC2)CC1 ZINC000792830041 586005508 /nfs/dbraw/zinc/00/55/08/586005508.db2.gz UXSPXVSLTANRCF-MRXNPFEDSA-N 1 2 248.367 0.485 20 0 BCADLO C[C@H](O)c1cn(C2C[NH+](CC3(F)CC3)C2)nn1 ZINC000793062078 586009442 /nfs/dbraw/zinc/00/94/42/586009442.db2.gz DXFHWYCXXJJRKI-QMMMGPOBSA-N 1 2 240.282 0.690 20 0 BCADLO COCC1(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000793248688 586014965 /nfs/dbraw/zinc/01/49/65/586014965.db2.gz AMFDXRRLUQMITC-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1ccnnc1 ZINC000793250385 586014968 /nfs/dbraw/zinc/01/49/68/586014968.db2.gz MFEGRIGUKJYOHI-UHFFFAOYSA-N 1 2 232.243 0.610 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCCOC1 ZINC000793415201 586018755 /nfs/dbraw/zinc/01/87/55/586018755.db2.gz BDUVOYSFPDFBJB-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO Cc1cc(NC(=O)CC2OCCO2)cc[nH+]1 ZINC000793487210 586020748 /nfs/dbraw/zinc/02/07/48/586020748.db2.gz FGZJXPVCOMRZSL-UHFFFAOYSA-N 1 2 222.244 0.513 20 0 BCADLO C[C@@H]1COCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793731191 586025567 /nfs/dbraw/zinc/02/55/67/586025567.db2.gz ZGRNVXWMRUJLOI-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO C[C@@H]1COCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793731191 586025568 /nfs/dbraw/zinc/02/55/68/586025568.db2.gz ZGRNVXWMRUJLOI-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO CC(C)C1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793969219 586029363 /nfs/dbraw/zinc/02/93/63/586029363.db2.gz MFTOTCQCAMIZSE-UHFFFAOYSA-N 1 2 237.303 0.572 20 0 BCADLO CC(C)C1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793969219 586029364 /nfs/dbraw/zinc/02/93/64/586029364.db2.gz MFTOTCQCAMIZSE-UHFFFAOYSA-N 1 2 237.303 0.572 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C)c1cnc(C)cn1 ZINC000794293354 586037227 /nfs/dbraw/zinc/03/72/27/586037227.db2.gz MZYKAKSNBFKSDY-SNVBAGLBSA-N 1 2 236.319 0.914 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C)c1cnc(C)cn1 ZINC000794293354 586037228 /nfs/dbraw/zinc/03/72/28/586037228.db2.gz MZYKAKSNBFKSDY-SNVBAGLBSA-N 1 2 236.319 0.914 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C)c1cnc(C)cn1 ZINC000794293353 586037459 /nfs/dbraw/zinc/03/74/59/586037459.db2.gz MZYKAKSNBFKSDY-JTQLQIEISA-N 1 2 236.319 0.914 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)c1cnc(C)cn1 ZINC000794293353 586037460 /nfs/dbraw/zinc/03/74/60/586037460.db2.gz MZYKAKSNBFKSDY-JTQLQIEISA-N 1 2 236.319 0.914 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2CCCNC(=O)C2)cn1 ZINC000794337330 586038236 /nfs/dbraw/zinc/03/82/36/586038236.db2.gz WJMHMRHBDDARKK-SNVBAGLBSA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2CCCNC(=O)C2)cn1 ZINC000794337330 586038237 /nfs/dbraw/zinc/03/82/37/586038237.db2.gz WJMHMRHBDDARKK-SNVBAGLBSA-N 1 2 234.303 0.668 20 0 BCADLO CC[C@](C)([NH2+]CCC(=O)N(C)OC)C(=O)OC ZINC000794454918 586040060 /nfs/dbraw/zinc/04/00/60/586040060.db2.gz ZZRLOGFJJHGVFC-NSHDSACASA-N 1 2 246.307 0.328 20 0 BCADLO NC(=[NH+]OC[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000794519508 586041549 /nfs/dbraw/zinc/04/15/49/586041549.db2.gz DTQBJZSWXYBSEG-BDAKNGLRSA-N 1 2 214.265 0.843 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794585374 586045024 /nfs/dbraw/zinc/04/50/24/586045024.db2.gz OSVSKGLBHVWCQB-JTQLQIEISA-N 1 2 238.291 0.566 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794585374 586045025 /nfs/dbraw/zinc/04/50/25/586045025.db2.gz OSVSKGLBHVWCQB-JTQLQIEISA-N 1 2 238.291 0.566 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1ccnc(C)n1 ZINC000794721645 586047343 /nfs/dbraw/zinc/04/73/43/586047343.db2.gz UTVKBWZYTXZUMF-SSDOTTSWSA-N 1 2 224.264 0.818 20 0 BCADLO Cn1ncc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000795191783 586070825 /nfs/dbraw/zinc/07/08/25/586070825.db2.gz GDKAIKDWEPGWJD-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000795191783 586070827 /nfs/dbraw/zinc/07/08/27/586070827.db2.gz GDKAIKDWEPGWJD-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO COCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000795521138 586082701 /nfs/dbraw/zinc/08/27/01/586082701.db2.gz JDPFWNICIAAIDZ-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO COCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000795521138 586082703 /nfs/dbraw/zinc/08/27/03/586082703.db2.gz JDPFWNICIAAIDZ-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cn1ccsc1=O ZINC000795747476 586091329 /nfs/dbraw/zinc/09/13/29/586091329.db2.gz BAQUWBBZVQDREY-QMMMGPOBSA-N 1 2 216.306 0.834 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cn1ccsc1=O ZINC000795747476 586091330 /nfs/dbraw/zinc/09/13/30/586091330.db2.gz BAQUWBBZVQDREY-QMMMGPOBSA-N 1 2 216.306 0.834 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000795744995 586091678 /nfs/dbraw/zinc/09/16/78/586091678.db2.gz BSLSQMOXZPPUIJ-JTQLQIEISA-N 1 2 249.314 0.962 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000795744995 586091679 /nfs/dbraw/zinc/09/16/79/586091679.db2.gz BSLSQMOXZPPUIJ-JTQLQIEISA-N 1 2 249.314 0.962 20 0 BCADLO Cn1ccc(CCC(=O)OCCn2cc[nH+]c2)n1 ZINC000795787896 586092232 /nfs/dbraw/zinc/09/22/32/586092232.db2.gz ZWVXEIBNMJHKAI-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@]2(CCOC2)O1 ZINC000796556954 586106798 /nfs/dbraw/zinc/10/67/98/586106798.db2.gz SFAGQTTYTAXYEG-PWSUYJOCSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@]2(CCOC2)O1 ZINC000796556954 586106799 /nfs/dbraw/zinc/10/67/99/586106799.db2.gz SFAGQTTYTAXYEG-PWSUYJOCSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@@]2(CCOC2)O1 ZINC000796555901 586106838 /nfs/dbraw/zinc/10/68/38/586106838.db2.gz MSJKUPZBDHVZGY-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@@]2(CCOC2)O1 ZINC000796555901 586106839 /nfs/dbraw/zinc/10/68/39/586106839.db2.gz MSJKUPZBDHVZGY-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO COC(C[N@@H+]1CCOC[C@H]1CC(F)F)OC ZINC000796578849 586107348 /nfs/dbraw/zinc/10/73/48/586107348.db2.gz LWHGMCRORBIIBI-MRVPVSSYSA-N 1 2 239.262 0.961 20 0 BCADLO COC(C[N@H+]1CCOC[C@H]1CC(F)F)OC ZINC000796578849 586107349 /nfs/dbraw/zinc/10/73/49/586107349.db2.gz LWHGMCRORBIIBI-MRVPVSSYSA-N 1 2 239.262 0.961 20 0 BCADLO Cc1nonc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796580764 586107367 /nfs/dbraw/zinc/10/73/67/586107367.db2.gz SIKWPXFIBXHLGL-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1nonc1C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796580764 586107368 /nfs/dbraw/zinc/10/73/68/586107368.db2.gz SIKWPXFIBXHLGL-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000796745711 586111326 /nfs/dbraw/zinc/11/13/26/586111326.db2.gz QOLLGSIXOLILNS-SNVBAGLBSA-N 1 2 224.260 0.888 20 0 BCADLO CN(C)c1cc(COC(=O)CO)cc[nH+]1 ZINC000796829431 586114073 /nfs/dbraw/zinc/11/40/73/586114073.db2.gz OCGVWEVVDAIOPB-UHFFFAOYSA-N 1 2 210.233 0.183 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000798195001 586139278 /nfs/dbraw/zinc/13/92/78/586139278.db2.gz KUULXMRADSFZJJ-HWPZZCPQSA-N 1 2 241.360 0.968 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000798195001 586139279 /nfs/dbraw/zinc/13/92/79/586139279.db2.gz KUULXMRADSFZJJ-HWPZZCPQSA-N 1 2 241.360 0.968 20 0 BCADLO COC(=O)C[N@@H+](CCC(=O)N(C)OC)C1CC1 ZINC000799125324 586159811 /nfs/dbraw/zinc/15/98/11/586159811.db2.gz CJVXBYOLBDCFIZ-UHFFFAOYSA-N 1 2 244.291 0.034 20 0 BCADLO COC(=O)C[N@H+](CCC(=O)N(C)OC)C1CC1 ZINC000799125324 586159812 /nfs/dbraw/zinc/15/98/12/586159812.db2.gz CJVXBYOLBDCFIZ-UHFFFAOYSA-N 1 2 244.291 0.034 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1F ZINC000799159849 586161183 /nfs/dbraw/zinc/16/11/83/586161183.db2.gz BVUXKFXNSXQPSG-VGMNWLOBSA-N 1 2 228.267 0.472 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1F ZINC000799159849 586161185 /nfs/dbraw/zinc/16/11/85/586161185.db2.gz BVUXKFXNSXQPSG-VGMNWLOBSA-N 1 2 228.267 0.472 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2CCC=C(F)C2)C(=O)N1 ZINC000799150270 586161726 /nfs/dbraw/zinc/16/17/26/586161726.db2.gz MPDHIUOYEPCEOU-MRVPVSSYSA-N 1 2 212.224 0.351 20 0 BCADLO O=C1CC[C@@H]([N@H+]2CCC=C(F)C2)C(=O)N1 ZINC000799150270 586161729 /nfs/dbraw/zinc/16/17/29/586161729.db2.gz MPDHIUOYEPCEOU-MRVPVSSYSA-N 1 2 212.224 0.351 20 0 BCADLO O=C(CC[N@@H+]1CCOC[C@@]12CCOC2)C1CC1 ZINC000799348379 586173034 /nfs/dbraw/zinc/17/30/34/586173034.db2.gz PMGAYLSULVERPL-ZDUSSCGKSA-N 1 2 239.315 0.847 20 0 BCADLO O=C(CC[N@H+]1CCOC[C@@]12CCOC2)C1CC1 ZINC000799348379 586173035 /nfs/dbraw/zinc/17/30/35/586173035.db2.gz PMGAYLSULVERPL-ZDUSSCGKSA-N 1 2 239.315 0.847 20 0 BCADLO COC1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000859335995 589032312 /nfs/dbraw/zinc/03/23/12/589032312.db2.gz DWNRVMQMFXFGBH-JTQLQIEISA-N 1 2 249.314 0.611 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)OCC1CC1 ZINC000859335894 589032538 /nfs/dbraw/zinc/03/25/38/589032538.db2.gz IJUIVEAHPUKDQY-JTQLQIEISA-N 1 2 228.292 0.453 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)OCC1CC1 ZINC000859335894 589032539 /nfs/dbraw/zinc/03/25/39/589032539.db2.gz IJUIVEAHPUKDQY-JTQLQIEISA-N 1 2 228.292 0.453 20 0 BCADLO CC(C)C1(O)CN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000800381841 586214216 /nfs/dbraw/zinc/21/42/16/586214216.db2.gz KSFFYSQARGRNBT-GFCCVEGCSA-N 1 2 242.363 0.410 20 0 BCADLO CC(C)C1(O)CN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000800381841 586214217 /nfs/dbraw/zinc/21/42/17/586214217.db2.gz KSFFYSQARGRNBT-GFCCVEGCSA-N 1 2 242.363 0.410 20 0 BCADLO C[C@H]1C[N@H+](CCC(=O)C2CC2)CC(=O)N1C ZINC000800479777 586222155 /nfs/dbraw/zinc/22/21/55/586222155.db2.gz LGEJIDBJBSNTHR-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@@H+](CCC(=O)C2CC2)CC(=O)N1C ZINC000800479777 586222158 /nfs/dbraw/zinc/22/21/58/586222158.db2.gz LGEJIDBJBSNTHR-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000800507740 586223611 /nfs/dbraw/zinc/22/36/11/586223611.db2.gz WZZFEYOOEBKCJA-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCOCCO ZINC000800507740 586223614 /nfs/dbraw/zinc/22/36/14/586223614.db2.gz WZZFEYOOEBKCJA-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO O=C(c1c[nH]c(=S)[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000800691418 586226300 /nfs/dbraw/zinc/22/63/00/586226300.db2.gz TTXNWVSFNSUUMI-UHFFFAOYSA-N 1 2 249.299 0.592 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000800691015 586227051 /nfs/dbraw/zinc/22/70/51/586227051.db2.gz ZNLSHAKLPAZBGA-UHFFFAOYSA-N 1 2 237.288 0.694 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C(F)F)C1 ZINC000801424627 586256886 /nfs/dbraw/zinc/25/68/86/586256886.db2.gz VJUZXYWFKSCPCJ-MRVPVSSYSA-N 1 2 245.229 0.376 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563905 586263789 /nfs/dbraw/zinc/26/37/89/586263789.db2.gz VBKMVYGYXHFRQA-JGVFFNPUSA-N 1 2 241.303 0.676 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563905 586263790 /nfs/dbraw/zinc/26/37/90/586263790.db2.gz VBKMVYGYXHFRQA-JGVFFNPUSA-N 1 2 241.303 0.676 20 0 BCADLO COC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231658 586297619 /nfs/dbraw/zinc/29/76/19/586297619.db2.gz KKIGMBRBOHEBGN-SECBINFHSA-N 1 2 233.283 0.998 20 0 BCADLO COC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231658 586297621 /nfs/dbraw/zinc/29/76/21/586297621.db2.gz KKIGMBRBOHEBGN-SECBINFHSA-N 1 2 233.283 0.998 20 0 BCADLO CC(C)OCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802244531 586298512 /nfs/dbraw/zinc/29/85/12/586298512.db2.gz PSRBIMGDOFUMOX-JTQLQIEISA-N 1 2 233.283 0.998 20 0 BCADLO CC(C)OCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802244531 586298514 /nfs/dbraw/zinc/29/85/14/586298514.db2.gz PSRBIMGDOFUMOX-JTQLQIEISA-N 1 2 233.283 0.998 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cncnc1 ZINC000802244124 586298606 /nfs/dbraw/zinc/29/86/06/586298606.db2.gz KZCZAEKJHMHZDG-SNVBAGLBSA-N 1 2 239.250 0.677 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cncnc1 ZINC000802244124 586298608 /nfs/dbraw/zinc/29/86/08/586298608.db2.gz KZCZAEKJHMHZDG-SNVBAGLBSA-N 1 2 239.250 0.677 20 0 BCADLO CC(=O)N[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239973 586298755 /nfs/dbraw/zinc/29/87/55/586298755.db2.gz SSQGDQHAHSXDRK-PSASIEDQSA-N 1 2 246.282 0.098 20 0 BCADLO CC(=O)N[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239973 586298756 /nfs/dbraw/zinc/29/87/56/586298756.db2.gz SSQGDQHAHSXDRK-PSASIEDQSA-N 1 2 246.282 0.098 20 0 BCADLO CO[C@@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802242567 586299225 /nfs/dbraw/zinc/29/92/25/586299225.db2.gz LRRLISHDOGJYKD-WDEREUQCSA-N 1 2 245.294 0.998 20 0 BCADLO CO[C@@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802242567 586299227 /nfs/dbraw/zinc/29/92/27/586299227.db2.gz LRRLISHDOGJYKD-WDEREUQCSA-N 1 2 245.294 0.998 20 0 BCADLO O=C(COC(F)F)OCCn1cc[nH+]c1 ZINC000802814810 586316089 /nfs/dbraw/zinc/31/60/89/586316089.db2.gz DQOLSIXTKNNKFF-UHFFFAOYSA-N 1 2 220.175 0.666 20 0 BCADLO O=C(COC(F)F)OCC[NH+]1CCOCC1 ZINC000803732838 586371770 /nfs/dbraw/zinc/37/17/70/586371770.db2.gz FJHJXXPMTVCBBR-UHFFFAOYSA-N 1 2 239.218 0.101 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@H](C)[C@@H]2C)C1=O ZINC000840028619 586384199 /nfs/dbraw/zinc/38/41/99/586384199.db2.gz PFDQMBQTEALQMY-OUAUKWLOSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@H](C)[C@@H]2C)C1=O ZINC000840028619 586384201 /nfs/dbraw/zinc/38/42/01/586384201.db2.gz PFDQMBQTEALQMY-OUAUKWLOSA-N 1 2 226.320 0.922 20 0 BCADLO COC/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336901 586390919 /nfs/dbraw/zinc/39/09/19/586390919.db2.gz RVDKOGSFOXKZBM-PBKGFPTLSA-N 1 2 235.287 0.517 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnsn1 ZINC000804334237 586390953 /nfs/dbraw/zinc/39/09/53/586390953.db2.gz ZMZKLJBSNBLXFB-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335763 586391153 /nfs/dbraw/zinc/39/11/53/586391153.db2.gz DOAIVLLZNNSAKT-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000806665695 586416091 /nfs/dbraw/zinc/41/60/91/586416091.db2.gz PXQFNZNUJLVUQK-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000806665695 586416092 /nfs/dbraw/zinc/41/60/92/586416092.db2.gz PXQFNZNUJLVUQK-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CC[C@H](C)C1=O ZINC000840082486 586422594 /nfs/dbraw/zinc/42/25/94/586422594.db2.gz CNKZBKWDCVZUBW-VHSXEESVSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CC[C@H](C)C1=O ZINC000840082486 586422596 /nfs/dbraw/zinc/42/25/96/586422596.db2.gz CNKZBKWDCVZUBW-VHSXEESVSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000840082591 586422803 /nfs/dbraw/zinc/42/28/03/586422803.db2.gz DTHOHGJJSTZOIY-VIFPVBQESA-N 1 2 240.303 0.450 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000840082591 586422804 /nfs/dbraw/zinc/42/28/04/586422804.db2.gz DTHOHGJJSTZOIY-VIFPVBQESA-N 1 2 240.303 0.450 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](CCO)C1CC1 ZINC000807082141 586423019 /nfs/dbraw/zinc/42/30/19/586423019.db2.gz FNOCZZAILGRHMI-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO CC[NH2+]Cc1noc([C@H](C)NC(=O)CC)n1 ZINC000843145468 586445082 /nfs/dbraw/zinc/44/50/82/586445082.db2.gz MQRGJTKCIMBCEP-ZETCQYMHSA-N 1 2 226.280 0.766 20 0 BCADLO CC[NH2+]Cc1noc(CCN2CCOC2=O)n1 ZINC000843145351 586445895 /nfs/dbraw/zinc/44/58/95/586445895.db2.gz JKKLGLOQROKUMA-UHFFFAOYSA-N 1 2 240.263 0.174 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@H+]1CC[C@@H](F)C1 ZINC000840115241 586448857 /nfs/dbraw/zinc/44/88/57/586448857.db2.gz QCXONNLJNHUPOU-BBBLOLIVSA-N 1 2 212.268 0.999 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@@H+]1CC[C@@H](F)C1 ZINC000840115241 586448858 /nfs/dbraw/zinc/44/88/58/586448858.db2.gz QCXONNLJNHUPOU-BBBLOLIVSA-N 1 2 212.268 0.999 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000808385378 586470343 /nfs/dbraw/zinc/47/03/43/586470343.db2.gz PKXYDXBXHRCJOA-NXEZZACHSA-N 1 2 238.335 0.813 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cccc3nccn32)n1 ZINC000808417071 586471979 /nfs/dbraw/zinc/47/19/79/586471979.db2.gz CCKYLAUFYLOFFQ-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000808730056 586485385 /nfs/dbraw/zinc/48/53/85/586485385.db2.gz RYVGTIFQPOLVOF-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000808730056 586485386 /nfs/dbraw/zinc/48/53/86/586485386.db2.gz RYVGTIFQPOLVOF-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)C(C)C ZINC000808741459 586486685 /nfs/dbraw/zinc/48/66/85/586486685.db2.gz GIAHELKAFZGNAX-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)C(C)C ZINC000808741459 586486686 /nfs/dbraw/zinc/48/66/86/586486686.db2.gz GIAHELKAFZGNAX-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000808777544 586489812 /nfs/dbraw/zinc/48/98/12/586489812.db2.gz PYHDUPORHUXVAB-ZETCQYMHSA-N 1 2 214.244 0.659 20 0 BCADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000808777544 586489814 /nfs/dbraw/zinc/48/98/14/586489814.db2.gz PYHDUPORHUXVAB-ZETCQYMHSA-N 1 2 214.244 0.659 20 0 BCADLO COCCN1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000809745481 586516639 /nfs/dbraw/zinc/51/66/39/586516639.db2.gz VKJXAVCCQNBWKW-JTQLQIEISA-N 1 2 240.307 0.188 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1oc(C)nc1C ZINC000809934780 586524176 /nfs/dbraw/zinc/52/41/76/586524176.db2.gz IERJGMGNBFVIBQ-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1oc(C)nc1C ZINC000809934780 586524177 /nfs/dbraw/zinc/52/41/77/586524177.db2.gz IERJGMGNBFVIBQ-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO Cn1ncc(C[N@H+](C)CCOCC2CC2)n1 ZINC000809954073 586526431 /nfs/dbraw/zinc/52/64/31/586526431.db2.gz PMOZQSZYGZVMNP-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000809954073 586526433 /nfs/dbraw/zinc/52/64/33/586526433.db2.gz PMOZQSZYGZVMNP-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809966309 586526689 /nfs/dbraw/zinc/52/66/89/586526689.db2.gz XDRKUUSYWCHVTQ-UHFFFAOYSA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809985644 586528830 /nfs/dbraw/zinc/52/88/30/586528830.db2.gz RPZHYRVIZFAITP-WCBMZHEXSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809985644 586528832 /nfs/dbraw/zinc/52/88/32/586528832.db2.gz RPZHYRVIZFAITP-WCBMZHEXSA-N 1 2 238.291 0.199 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+](CCO)C[C@H](C)O ZINC000810040909 586531799 /nfs/dbraw/zinc/53/17/99/586531799.db2.gz DEHVFGJFHSIAKA-WDEREUQCSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+](CCO)C[C@H](C)O ZINC000810040909 586531800 /nfs/dbraw/zinc/53/18/00/586531800.db2.gz DEHVFGJFHSIAKA-WDEREUQCSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+](CCO)C[C@H](C)O ZINC000810040908 586531802 /nfs/dbraw/zinc/53/18/02/586531802.db2.gz DEHVFGJFHSIAKA-QWRGUYRKSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+](CCO)C[C@H](C)O ZINC000810040908 586531803 /nfs/dbraw/zinc/53/18/03/586531803.db2.gz DEHVFGJFHSIAKA-QWRGUYRKSA-N 1 2 247.335 0.393 20 0 BCADLO Cn1cc(/C=C/C(=O)NCc2c[nH+]cn2C)cn1 ZINC000810754338 586546336 /nfs/dbraw/zinc/54/63/36/586546336.db2.gz YIXULRZCRPQSTG-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000811527222 586560821 /nfs/dbraw/zinc/56/08/21/586560821.db2.gz JXIDRSPIHZAVBG-WDSKDSINSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000811527222 586560822 /nfs/dbraw/zinc/56/08/22/586560822.db2.gz JXIDRSPIHZAVBG-WDSKDSINSA-N 1 2 230.205 0.953 20 0 BCADLO CCOCCNC(=S)NCc1c[nH+]cn1C ZINC000811701359 586565855 /nfs/dbraw/zinc/56/58/55/586565855.db2.gz MNQGWTOOMUZJHV-UHFFFAOYSA-N 1 2 242.348 0.421 20 0 BCADLO Cc1nsc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000811805637 586567081 /nfs/dbraw/zinc/56/70/81/586567081.db2.gz PIXWFDHHBODAKT-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO CONC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811951770 586568798 /nfs/dbraw/zinc/56/87/98/586568798.db2.gz NJZIUNJRVQHNBJ-ZCFIWIBFSA-N 1 2 210.237 0.128 20 0 BCADLO CONC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811951770 586568799 /nfs/dbraw/zinc/56/87/99/586568799.db2.gz NJZIUNJRVQHNBJ-ZCFIWIBFSA-N 1 2 210.237 0.128 20 0 BCADLO CCON(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000812555118 586579237 /nfs/dbraw/zinc/57/92/37/586579237.db2.gz ODPJCMLEWDFFFA-QMMMGPOBSA-N 1 2 238.291 0.860 20 0 BCADLO CCON(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000812555118 586579238 /nfs/dbraw/zinc/57/92/38/586579238.db2.gz ODPJCMLEWDFFFA-QMMMGPOBSA-N 1 2 238.291 0.860 20 0 BCADLO C[C@](O)(C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000812673403 586582292 /nfs/dbraw/zinc/58/22/92/586582292.db2.gz LOTHOWALVXFROC-GFCCVEGCSA-N 1 2 238.287 0.977 20 0 BCADLO C[C@@](O)(C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000812673404 586582388 /nfs/dbraw/zinc/58/23/88/586582388.db2.gz LOTHOWALVXFROC-LBPRGKRZSA-N 1 2 238.287 0.977 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)nn1 ZINC000812701441 586582974 /nfs/dbraw/zinc/58/29/74/586582974.db2.gz RPHDRVRTDAQXMD-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO CC[N@H+](Cc1nonc1C)[C@@H]1CCOC1 ZINC000812879747 586588069 /nfs/dbraw/zinc/58/80/69/586588069.db2.gz TZLFOJSXOIUXDV-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nonc1C)[C@@H]1CCOC1 ZINC000812879747 586588070 /nfs/dbraw/zinc/58/80/70/586588070.db2.gz TZLFOJSXOIUXDV-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H](O)C2(C)C)no1 ZINC000812867484 586588180 /nfs/dbraw/zinc/58/81/80/586588180.db2.gz BAOTUQRKHKNVFX-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H](O)C2(C)C)no1 ZINC000812867484 586588181 /nfs/dbraw/zinc/58/81/81/586588181.db2.gz BAOTUQRKHKNVFX-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO C[C@@](O)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000813454823 586602246 /nfs/dbraw/zinc/60/22/46/586602246.db2.gz WWUNTFRQRJXIMO-ZDUSSCGKSA-N 1 2 249.314 0.818 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cocn3)C[C@@H]21 ZINC000814173065 586615541 /nfs/dbraw/zinc/61/55/41/586615541.db2.gz HOCISZGHWGZSDW-MYJAWHEDSA-N 1 2 222.244 0.525 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cocn3)C[C@@H]21 ZINC000814173065 586615542 /nfs/dbraw/zinc/61/55/42/586615542.db2.gz HOCISZGHWGZSDW-MYJAWHEDSA-N 1 2 222.244 0.525 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000815154114 586670127 /nfs/dbraw/zinc/67/01/27/586670127.db2.gz BJRYYMRWHGSHNV-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000815700206 586691832 /nfs/dbraw/zinc/69/18/32/586691832.db2.gz BAHNTSQGLJZTKC-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000815700206 586691834 /nfs/dbraw/zinc/69/18/34/586691834.db2.gz BAHNTSQGLJZTKC-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO Cn1ncc(C[NH+]2CC([C@@H]3CCOC3)C2)n1 ZINC000816594959 586743011 /nfs/dbraw/zinc/74/30/11/586743011.db2.gz UQGMOJOHRVCSAF-SECBINFHSA-N 1 2 222.292 0.283 20 0 BCADLO CON(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816810870 586765351 /nfs/dbraw/zinc/76/53/51/586765351.db2.gz DEWWURZJANNWMT-QMMMGPOBSA-N 1 2 209.249 0.465 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccccn1 ZINC000816821724 586766156 /nfs/dbraw/zinc/76/61/56/586766156.db2.gz KKOSBJWTBXVWJB-UHFFFAOYSA-N 1 2 202.217 0.986 20 0 BCADLO COc1cc(CNC(=O)Cc2[nH]cc[nH+]2)ccn1 ZINC000816839544 586767406 /nfs/dbraw/zinc/76/74/06/586767406.db2.gz IOQWCQJBDXZJTF-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1cccnc1 ZINC000816842905 586767653 /nfs/dbraw/zinc/76/76/53/586767653.db2.gz IAXABLKQNPUGEL-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO Cn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816861592 586768869 /nfs/dbraw/zinc/76/88/69/586768869.db2.gz CTOWSIJXRRDULU-UHFFFAOYSA-N 1 2 205.221 0.324 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(=O)OCC1CC1 ZINC000816914830 586771223 /nfs/dbraw/zinc/77/12/23/586771223.db2.gz GMEZKVBYJYNKDG-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO CCC(O)(CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816937316 586771726 /nfs/dbraw/zinc/77/17/26/586771726.db2.gz AKMILKISLJGQLY-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CCC(CC)[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816923464 586772246 /nfs/dbraw/zinc/77/22/46/586772246.db2.gz IXXACCNEYOWFGZ-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO COCCC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816949794 586773550 /nfs/dbraw/zinc/77/35/50/586773550.db2.gz FKDDWOGRCTYLQT-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCOC1 ZINC000816973735 586775444 /nfs/dbraw/zinc/77/54/44/586775444.db2.gz FPKOGKDLSQCYLY-MRVPVSSYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(F)(F)C(F)F ZINC000816973891 586775525 /nfs/dbraw/zinc/77/55/25/586775525.db2.gz KDXFIAPKVXZJLO-UHFFFAOYSA-N 1 2 239.172 0.969 20 0 BCADLO CON(C)C(=O)CNc1cc(C)[nH+]cn1 ZINC000817124369 586782733 /nfs/dbraw/zinc/78/27/33/586782733.db2.gz GOVUGJOUVQCHBA-UHFFFAOYSA-N 1 2 210.237 0.217 20 0 BCADLO CNC(=O)[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000817283831 586791919 /nfs/dbraw/zinc/79/19/19/586791919.db2.gz CVSBIVYTNDLDJB-ZCFIWIBFSA-N 1 2 242.216 0.955 20 0 BCADLO CNC(=O)[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000817283831 586791920 /nfs/dbraw/zinc/79/19/20/586791920.db2.gz CVSBIVYTNDLDJB-ZCFIWIBFSA-N 1 2 242.216 0.955 20 0 BCADLO COC(=O)[C@@H](F)CNc1cc(C)[nH+]cn1 ZINC000840339421 586798414 /nfs/dbraw/zinc/79/84/14/586798414.db2.gz GGKANXUZYGVQFD-ZETCQYMHSA-N 1 2 213.212 0.708 20 0 BCADLO CON(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000817963146 586852395 /nfs/dbraw/zinc/85/23/95/586852395.db2.gz ONBQZOJMVVDKIC-VIFPVBQESA-N 1 2 230.214 0.984 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859902520 589069726 /nfs/dbraw/zinc/06/97/26/589069726.db2.gz BKNMKVXKSPUHQO-JTQLQIEISA-N 1 2 246.282 0.499 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000859902520 589069727 /nfs/dbraw/zinc/06/97/27/589069727.db2.gz BKNMKVXKSPUHQO-JTQLQIEISA-N 1 2 246.282 0.499 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859908864 589070073 /nfs/dbraw/zinc/07/00/73/589070073.db2.gz QIXHEMCMRDEZDC-YMTOWFKASA-N 1 2 223.313 0.425 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@H](CCF)C1 ZINC000859908864 589070075 /nfs/dbraw/zinc/07/00/75/589070075.db2.gz QIXHEMCMRDEZDC-YMTOWFKASA-N 1 2 223.313 0.425 20 0 BCADLO CC(C)(C)N1CC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000818082931 586871067 /nfs/dbraw/zinc/87/10/67/586871067.db2.gz QKLURWNZAXWHMX-QMMMGPOBSA-N 1 2 243.307 0.267 20 0 BCADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)[O-] ZINC000818114199 586875490 /nfs/dbraw/zinc/87/54/90/586875490.db2.gz YFFWXDJWSRGGOR-PSASIEDQSA-N 1 2 212.293 0.533 20 0 BCADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)[O-] ZINC000818114199 586875491 /nfs/dbraw/zinc/87/54/91/586875491.db2.gz YFFWXDJWSRGGOR-PSASIEDQSA-N 1 2 212.293 0.533 20 0 BCADLO CCn1nc(C)c(CNCc2[nH+]ccn2C)n1 ZINC000818220508 586879389 /nfs/dbraw/zinc/87/93/89/586879389.db2.gz HXUHCDGWCVLAGB-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cn[nH]c2)n1 ZINC000818221534 586880075 /nfs/dbraw/zinc/88/00/75/586880075.db2.gz PHGVQKVXJWYRRE-UHFFFAOYSA-N 1 2 220.280 0.619 20 0 BCADLO Cc1oncc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000860012838 589075472 /nfs/dbraw/zinc/07/54/72/589075472.db2.gz VJVVDERVWSUXBU-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1oncc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000860012838 589075473 /nfs/dbraw/zinc/07/54/73/589075473.db2.gz VJVVDERVWSUXBU-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000860016809 589076097 /nfs/dbraw/zinc/07/60/97/589076097.db2.gz OBFKGEAFLFEPSU-SLYZXXNYSA-N 1 2 218.684 0.315 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000860016809 589076099 /nfs/dbraw/zinc/07/60/99/589076099.db2.gz OBFKGEAFLFEPSU-SLYZXXNYSA-N 1 2 218.684 0.315 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2ccns2)C1=O ZINC000860058977 589076654 /nfs/dbraw/zinc/07/66/54/589076654.db2.gz QNXNGUFSTZLRBE-SFYZADRCSA-N 1 2 241.316 0.956 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)/C=C/[C@@H]2CCCO2)c1 ZINC000819561615 586977928 /nfs/dbraw/zinc/97/79/28/586977928.db2.gz DBZRXONSOMHEJH-ITKZLYELSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000819683971 586985222 /nfs/dbraw/zinc/98/52/22/586985222.db2.gz JUZBBRHZMZIMKT-IVZWLZJFSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(=O)O1 ZINC000819836851 586999650 /nfs/dbraw/zinc/99/96/50/586999650.db2.gz DUPAIOWAWBUIAG-DTWKUNHWSA-N 1 2 237.259 0.093 20 0 BCADLO CC(C)OC(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000819986033 587010379 /nfs/dbraw/zinc/01/03/79/587010379.db2.gz QSJQPTDHMBHBLF-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000820085298 587020011 /nfs/dbraw/zinc/02/00/11/587020011.db2.gz SYDNAVZUKFQBTI-ZJUUUORDSA-N 1 2 214.309 0.924 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000820085298 587020012 /nfs/dbraw/zinc/02/00/12/587020012.db2.gz SYDNAVZUKFQBTI-ZJUUUORDSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820348407 587044566 /nfs/dbraw/zinc/04/45/66/587044566.db2.gz TUDMKROVXAROJY-ZJUUUORDSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820348407 587044567 /nfs/dbraw/zinc/04/45/67/587044567.db2.gz TUDMKROVXAROJY-ZJUUUORDSA-N 1 2 214.309 0.924 20 0 BCADLO CCONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000820523427 587052579 /nfs/dbraw/zinc/05/25/79/587052579.db2.gz KSCGYXKSQNQRAX-ZETCQYMHSA-N 1 2 209.249 0.582 20 0 BCADLO CCONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000820523427 587052580 /nfs/dbraw/zinc/05/25/80/587052580.db2.gz KSCGYXKSQNQRAX-ZETCQYMHSA-N 1 2 209.249 0.582 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000820595356 587057656 /nfs/dbraw/zinc/05/76/56/587057656.db2.gz GLUHDZNKBLRFBZ-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000820595356 587057658 /nfs/dbraw/zinc/05/76/58/587057658.db2.gz GLUHDZNKBLRFBZ-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1ccc2[nH]nnc2c1 ZINC000820642539 587061301 /nfs/dbraw/zinc/06/13/01/587061301.db2.gz VHYCXPAXMYJQOQ-UHFFFAOYSA-N 1 2 245.286 0.992 20 0 BCADLO CCc1nc(C)c(CO[NH+]=C(N)CCO)o1 ZINC000820705785 587067855 /nfs/dbraw/zinc/06/78/55/587067855.db2.gz GIAOUWFRCDJKFJ-UHFFFAOYSA-N 1 2 227.264 0.926 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CCCO1 ZINC000820749924 587070125 /nfs/dbraw/zinc/07/01/25/587070125.db2.gz HJHXOBPRTZKTNJ-SECBINFHSA-N 1 2 223.276 0.638 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ncc[nH]3)C[C@H]12 ZINC000860160026 589083853 /nfs/dbraw/zinc/08/38/53/589083853.db2.gz JVIKGKAYZUZRKO-YUMQZZPRSA-N 1 2 207.233 0.015 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ncc[nH]3)C[C@H]12 ZINC000860160026 589083855 /nfs/dbraw/zinc/08/38/55/589083855.db2.gz JVIKGKAYZUZRKO-YUMQZZPRSA-N 1 2 207.233 0.015 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820958589 587084683 /nfs/dbraw/zinc/08/46/83/587084683.db2.gz ZDHYVYNTEGEAFP-QRGHLMKCSA-N 1 2 237.303 0.663 20 0 BCADLO C[C@H]1COCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820985008 587086724 /nfs/dbraw/zinc/08/67/24/587086724.db2.gz ONXUPOXURHPZCL-FSIBCCDJSA-N 1 2 235.287 0.681 20 0 BCADLO C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000821003764 587087388 /nfs/dbraw/zinc/08/73/88/587087388.db2.gz UIHZXCUHJKDEFJ-GIPNMCIBSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000821003764 587087390 /nfs/dbraw/zinc/08/73/90/587087390.db2.gz UIHZXCUHJKDEFJ-GIPNMCIBSA-N 1 2 249.314 0.790 20 0 BCADLO Cc1cnc(C[N@H+]2CCCN(C=O)CC2)o1 ZINC000821288779 587104974 /nfs/dbraw/zinc/10/49/74/587104974.db2.gz WZFIYMNPEURCJX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCN(C=O)CC2)o1 ZINC000821288779 587104973 /nfs/dbraw/zinc/10/49/73/587104973.db2.gz WZFIYMNPEURCJX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccncc1O ZINC000821377997 587114318 /nfs/dbraw/zinc/11/43/18/587114318.db2.gz GUMMRSMBFRIPAS-JTQLQIEISA-N 1 2 235.287 0.632 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccncc1O ZINC000821377997 587114319 /nfs/dbraw/zinc/11/43/19/587114319.db2.gz GUMMRSMBFRIPAS-JTQLQIEISA-N 1 2 235.287 0.632 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385725 587115626 /nfs/dbraw/zinc/11/56/26/587115626.db2.gz NMBISLOVXRCHPZ-WPRPVWTQSA-N 1 2 223.276 0.085 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821386112 587115674 /nfs/dbraw/zinc/11/56/74/587115674.db2.gz IJBQVGSCBIRHRY-JTQLQIEISA-N 1 2 249.270 0.416 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821386112 587115676 /nfs/dbraw/zinc/11/56/76/587115676.db2.gz IJBQVGSCBIRHRY-JTQLQIEISA-N 1 2 249.270 0.416 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCCC2(C1)OCCO2 ZINC000821396462 587116322 /nfs/dbraw/zinc/11/63/22/587116322.db2.gz OIEYHZAHANKREU-UHFFFAOYSA-N 1 2 238.291 0.186 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1cnns1 ZINC000822266602 587159783 /nfs/dbraw/zinc/15/97/83/587159783.db2.gz HIMDDAJKUUUEER-UHFFFAOYSA-N 1 2 212.278 0.572 20 0 BCADLO CON(C)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000822269392 587159848 /nfs/dbraw/zinc/15/98/48/587159848.db2.gz BVPOLVFDHAGPJX-UHFFFAOYSA-N 1 2 238.291 0.427 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2coc(C=O)c2)c1 ZINC000822364966 587164371 /nfs/dbraw/zinc/16/43/71/587164371.db2.gz NFFSZFJZDWZDKJ-UHFFFAOYSA-N 1 2 247.254 0.798 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000822365604 587164455 /nfs/dbraw/zinc/16/44/55/587164455.db2.gz XXVZGUFLLPJECP-NXEZZACHSA-N 1 2 223.276 0.114 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cc(=O)cc[nH]2)c1 ZINC000822365384 587164567 /nfs/dbraw/zinc/16/45/67/587164567.db2.gz SXCNADMIZGQKFK-UHFFFAOYSA-N 1 2 246.270 0.081 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000822634492 587178286 /nfs/dbraw/zinc/17/82/86/587178286.db2.gz HIVYRDJNQBKCAJ-ZETCQYMHSA-N 1 2 248.242 0.695 20 0 BCADLO COC/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952344 587195493 /nfs/dbraw/zinc/19/54/93/587195493.db2.gz QYRMYXICSNLGKR-DLRQAJBASA-N 1 2 242.319 0.026 20 0 BCADLO COC/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952344 587195494 /nfs/dbraw/zinc/19/54/94/587195494.db2.gz QYRMYXICSNLGKR-DLRQAJBASA-N 1 2 242.319 0.026 20 0 BCADLO Cc1nc[nH]c1C(=O)NCc1c[nH+]cn1C ZINC000822998438 587197037 /nfs/dbraw/zinc/19/70/37/587197037.db2.gz XWSDAXYQZWOJNU-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH+]cn2C)n(C)n1 ZINC000822997656 587197088 /nfs/dbraw/zinc/19/70/88/587197088.db2.gz LXJFTKJIBKGJSY-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823264233 587212093 /nfs/dbraw/zinc/21/20/93/587212093.db2.gz FWEHKWZOIRSDQB-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C(C)(C)CO)n1 ZINC000823418103 587220620 /nfs/dbraw/zinc/22/06/20/587220620.db2.gz BWLXXSCDHOIYOS-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C(C)(C)CO)n1 ZINC000823418103 587220618 /nfs/dbraw/zinc/22/06/18/587220618.db2.gz BWLXXSCDHOIYOS-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469205 587224386 /nfs/dbraw/zinc/22/43/86/587224386.db2.gz RGKZJTRIBXLVGH-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469205 587224387 /nfs/dbraw/zinc/22/43/87/587224387.db2.gz RGKZJTRIBXLVGH-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823475895 587224887 /nfs/dbraw/zinc/22/48/87/587224887.db2.gz MZZXPWMSJXNCBQ-VHSXEESVSA-N 1 2 236.275 0.231 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823475895 587224889 /nfs/dbraw/zinc/22/48/89/587224889.db2.gz MZZXPWMSJXNCBQ-VHSXEESVSA-N 1 2 236.275 0.231 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H]2COCO2)[nH+]1 ZINC000823559337 587231143 /nfs/dbraw/zinc/23/11/43/587231143.db2.gz VAHYGQQDUJFLFS-SECBINFHSA-N 1 2 239.275 0.004 20 0 BCADLO CCCONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000823609262 587232994 /nfs/dbraw/zinc/23/29/94/587232994.db2.gz VWBKYHLVTGMZPL-PLNGDYQASA-N 1 2 209.249 0.891 20 0 BCADLO CC1(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)COC1 ZINC000823627351 587233140 /nfs/dbraw/zinc/23/31/40/587233140.db2.gz MSLHOVRFKHIXPE-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CCN(C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823687778 587236376 /nfs/dbraw/zinc/23/63/76/587236376.db2.gz UNSGNPITLXJWAW-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO CCN(C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823687780 587236700 /nfs/dbraw/zinc/23/67/00/587236700.db2.gz UNSGNPITLXJWAW-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO C[C@H]1C(=O)N(C)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000823704585 587237331 /nfs/dbraw/zinc/23/73/31/587237331.db2.gz NKSSDNUDXIEHNP-MOVJSRMASA-N 1 2 248.286 0.080 20 0 BCADLO C[C@H](CCO)N(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824096339 587255200 /nfs/dbraw/zinc/25/52/00/587255200.db2.gz LHMFKMFWSWHGRF-ORAHPGNNSA-N 1 2 237.303 0.663 20 0 BCADLO CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824122183 587256731 /nfs/dbraw/zinc/25/67/31/587256731.db2.gz CUABOZCVSADWDC-DCAQKATOSA-N 1 2 243.351 0.818 20 0 BCADLO CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824122183 587256732 /nfs/dbraw/zinc/25/67/32/587256732.db2.gz CUABOZCVSADWDC-DCAQKATOSA-N 1 2 243.351 0.818 20 0 BCADLO COCC1(CNC(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000824283703 587264612 /nfs/dbraw/zinc/26/46/12/587264612.db2.gz ZTEWROOJSAUUBF-ONEGZZNKSA-N 1 2 249.314 0.976 20 0 BCADLO CCCn1nccc1C[N@H+](CC)CC(=O)NC ZINC000824560202 587276455 /nfs/dbraw/zinc/27/64/55/587276455.db2.gz CJYIPKYVWGJGMY-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCn1nccc1C[N@@H+](CC)CC(=O)NC ZINC000824560202 587276456 /nfs/dbraw/zinc/27/64/56/587276456.db2.gz CJYIPKYVWGJGMY-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(C=O)n(C)c1 ZINC000824628808 587280278 /nfs/dbraw/zinc/28/02/78/587280278.db2.gz LJXYVSULEWWHIJ-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(C=O)n(C)c1 ZINC000824628808 587280279 /nfs/dbraw/zinc/28/02/79/587280279.db2.gz LJXYVSULEWWHIJ-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO COc1nccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000824628364 587280366 /nfs/dbraw/zinc/28/03/66/587280366.db2.gz DIYLBGLEESSNIE-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO COc1nccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000824628364 587280367 /nfs/dbraw/zinc/28/03/67/587280367.db2.gz DIYLBGLEESSNIE-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000824699091 587283411 /nfs/dbraw/zinc/28/34/11/587283411.db2.gz XLXIULKGSIGTOR-BYAJROORSA-N 1 2 249.314 0.853 20 0 BCADLO C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824802419 587287607 /nfs/dbraw/zinc/28/76/07/587287607.db2.gz KYTWCKNYADGLQX-IVZWLZJFSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824802419 587287608 /nfs/dbraw/zinc/28/76/08/587287608.db2.gz KYTWCKNYADGLQX-IVZWLZJFSA-N 1 2 229.324 0.572 20 0 BCADLO Cc1cc(NC(=O)[C@@H](NC=O)C(C)C)c(C)c[nH+]1 ZINC000860309081 589094052 /nfs/dbraw/zinc/09/40/52/589094052.db2.gz NCDREPCHWKZOJC-LBPRGKRZSA-N 1 2 249.314 0.829 20 0 BCADLO CCc1c[nH]c(CC(=O)Nn2cccn2)[nH+]1 ZINC000824904084 587292710 /nfs/dbraw/zinc/29/27/10/587292710.db2.gz HPQNPGMBSHLKKL-UHFFFAOYSA-N 1 2 219.248 0.481 20 0 BCADLO C[C@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC000824972884 587295848 /nfs/dbraw/zinc/29/58/48/587295848.db2.gz AROATDCQMAKPOS-NXEZZACHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC000824972884 587295849 /nfs/dbraw/zinc/29/58/49/587295849.db2.gz AROATDCQMAKPOS-NXEZZACHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825005853 587298069 /nfs/dbraw/zinc/29/80/69/587298069.db2.gz DOOBUSHYALUDIZ-QMMMGPOBSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825005853 587298070 /nfs/dbraw/zinc/29/80/70/587298070.db2.gz DOOBUSHYALUDIZ-QMMMGPOBSA-N 1 2 249.274 0.680 20 0 BCADLO CC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)COC1 ZINC000825512588 587322346 /nfs/dbraw/zinc/32/23/46/587322346.db2.gz GRFYYGDWKJMWMM-VIFPVBQESA-N 1 2 235.287 0.871 20 0 BCADLO CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)COC1 ZINC000825512586 587322463 /nfs/dbraw/zinc/32/24/63/587322463.db2.gz GRFYYGDWKJMWMM-SECBINFHSA-N 1 2 235.287 0.871 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(=O)cc[nH]1 ZINC000825514155 587322766 /nfs/dbraw/zinc/32/27/66/587322766.db2.gz YIUQCTSPGUYYBF-SECBINFHSA-N 1 2 244.254 0.446 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825513978 587322822 /nfs/dbraw/zinc/32/28/22/587322822.db2.gz XIHZEOUYMDHFTA-KCJUWKMLSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC2CSC2)c1 ZINC000825574103 587325756 /nfs/dbraw/zinc/32/57/56/587325756.db2.gz XRMBAWYJGNZMMG-NSCUHMNNSA-N 1 2 223.301 0.665 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000825628529 587328181 /nfs/dbraw/zinc/32/81/81/587328181.db2.gz AHESXNCHVAMBSL-GXFFZTMASA-N 1 2 248.330 0.817 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000825628529 587328183 /nfs/dbraw/zinc/32/81/83/587328183.db2.gz AHESXNCHVAMBSL-GXFFZTMASA-N 1 2 248.330 0.817 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000825666900 587330568 /nfs/dbraw/zinc/33/05/68/587330568.db2.gz RJJDJINRDAAYCL-KATARQTJSA-N 1 2 243.303 0.725 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000825691783 587332471 /nfs/dbraw/zinc/33/24/71/587332471.db2.gz BJFWPAPCYCLFJN-XSPKLOCKSA-N 1 2 229.276 0.335 20 0 BCADLO C[C@H]1C[C@@H]([NH+](C)CCNC(=O)[O-])CC[N@@H+]1C ZINC000825790136 587339132 /nfs/dbraw/zinc/33/91/32/587339132.db2.gz TXXZDYNFZZWHMY-UWVGGRQHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@@H]([NH+](C)CCNC(=O)[O-])CC[N@H+]1C ZINC000825790136 587339134 /nfs/dbraw/zinc/33/91/34/587339134.db2.gz TXXZDYNFZZWHMY-UWVGGRQHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@@H]([N@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790136 587339136 /nfs/dbraw/zinc/33/91/36/587339136.db2.gz TXXZDYNFZZWHMY-UWVGGRQHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@@H]([N@@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790136 587339138 /nfs/dbraw/zinc/33/91/38/587339138.db2.gz TXXZDYNFZZWHMY-UWVGGRQHSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852841 587341042 /nfs/dbraw/zinc/34/10/42/587341042.db2.gz RDJRVMAMUXUKLP-ZJUUUORDSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852841 587341044 /nfs/dbraw/zinc/34/10/44/587341044.db2.gz RDJRVMAMUXUKLP-ZJUUUORDSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCN(C)C(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852551 587341189 /nfs/dbraw/zinc/34/11/89/587341189.db2.gz OLVDNPVSUMYGDS-VHSXEESVSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCN(C)C(=O)[O-])C[N@H+]1C1CC1 ZINC000825852551 587341190 /nfs/dbraw/zinc/34/11/90/587341190.db2.gz OLVDNPVSUMYGDS-VHSXEESVSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050107 587349440 /nfs/dbraw/zinc/34/94/40/587349440.db2.gz RUOHITZMABFFBG-IUCAKERBSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050107 587349441 /nfs/dbraw/zinc/34/94/41/587349441.db2.gz RUOHITZMABFFBG-IUCAKERBSA-N 1 2 229.324 0.572 20 0 BCADLO Cc1cc[nH+]c(NCCCO)c1-c1nn[nH]n1 ZINC000826313720 587352306 /nfs/dbraw/zinc/35/23/06/587352306.db2.gz QZCVWUFACZRCGY-UHFFFAOYSA-N 1 2 234.263 0.364 20 0 BCADLO C[C@H](O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826704018 587359427 /nfs/dbraw/zinc/35/94/27/587359427.db2.gz OWWLLUJZTIMXLN-CABZTGNLSA-N 1 2 234.299 0.670 20 0 BCADLO C[C@H](O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826704018 587359428 /nfs/dbraw/zinc/35/94/28/587359428.db2.gz OWWLLUJZTIMXLN-CABZTGNLSA-N 1 2 234.299 0.670 20 0 BCADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CO ZINC000826709296 587359780 /nfs/dbraw/zinc/35/97/80/587359780.db2.gz JYCGOLMUERXNAF-LLVKDONJSA-N 1 2 220.272 0.282 20 0 BCADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CO ZINC000826709296 587359781 /nfs/dbraw/zinc/35/97/81/587359781.db2.gz JYCGOLMUERXNAF-LLVKDONJSA-N 1 2 220.272 0.282 20 0 BCADLO COCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826735653 587360747 /nfs/dbraw/zinc/36/07/47/587360747.db2.gz DZAJJROFIUFDFK-LBPRGKRZSA-N 1 2 234.299 0.936 20 0 BCADLO COCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826735653 587360748 /nfs/dbraw/zinc/36/07/48/587360748.db2.gz DZAJJROFIUFDFK-LBPRGKRZSA-N 1 2 234.299 0.936 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1C=O ZINC000826766605 587361580 /nfs/dbraw/zinc/36/15/80/587361580.db2.gz SEGQZZMWHOUENE-NSHDSACASA-N 1 2 233.271 0.371 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCCc2cnoc2)c1 ZINC000826811911 587363080 /nfs/dbraw/zinc/36/30/80/587363080.db2.gz XGDMWNQYOSHKQS-NSCUHMNNSA-N 1 2 246.270 0.780 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000827000062 587367903 /nfs/dbraw/zinc/36/79/03/587367903.db2.gz HFAVFNCDBKFBON-SNVBAGLBSA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000827000062 587367904 /nfs/dbraw/zinc/36/79/04/587367904.db2.gz HFAVFNCDBKFBON-SNVBAGLBSA-N 1 2 237.259 0.701 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)[C@@H](C)C1 ZINC000827198106 587372470 /nfs/dbraw/zinc/37/24/70/587372470.db2.gz FMFWTIYOVMQMFL-DCAQKATOSA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)[C@@H](C)C1 ZINC000827198106 587372471 /nfs/dbraw/zinc/37/24/71/587372471.db2.gz FMFWTIYOVMQMFL-DCAQKATOSA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214800 587373241 /nfs/dbraw/zinc/37/32/41/587373241.db2.gz JAKWYFHJMHMIGA-WDEREUQCSA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214800 587373242 /nfs/dbraw/zinc/37/32/42/587373242.db2.gz JAKWYFHJMHMIGA-WDEREUQCSA-N 1 2 241.335 0.813 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000827296036 587376024 /nfs/dbraw/zinc/37/60/24/587376024.db2.gz BDAZQGUEDCTPCC-ZETCQYMHSA-N 1 2 208.221 0.191 20 0 BCADLO CC[C@](C)(O)C(=O)NCc1[nH]cc(C)[nH+]1 ZINC000827582602 587389792 /nfs/dbraw/zinc/38/97/92/587389792.db2.gz QKDMGIBPZVCIEO-JTQLQIEISA-N 1 2 211.265 0.495 20 0 BCADLO Cc1oc(C=O)cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000828004803 587416451 /nfs/dbraw/zinc/41/64/51/587416451.db2.gz YRFCXHKQFTXXQV-UHFFFAOYSA-N 1 2 248.282 0.979 20 0 BCADLO CC[N@@H+]1CCN(CC[S@](C)=O)C[C@@H]1C ZINC000828094636 587419246 /nfs/dbraw/zinc/41/92/46/587419246.db2.gz XUMPIKLBNFEYFN-HZMBPMFUSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@](C)=O)C[C@@H]1C ZINC000828094636 587419247 /nfs/dbraw/zinc/41/92/47/587419247.db2.gz XUMPIKLBNFEYFN-HZMBPMFUSA-N 1 2 218.366 0.391 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828288219 587431850 /nfs/dbraw/zinc/43/18/50/587431850.db2.gz DBEOUIIIGMTXKS-BZNIZROVSA-N 1 2 249.376 0.491 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828288219 587431851 /nfs/dbraw/zinc/43/18/51/587431851.db2.gz DBEOUIIIGMTXKS-BZNIZROVSA-N 1 2 249.376 0.491 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC[S@](C)=O ZINC000828317725 587434275 /nfs/dbraw/zinc/43/42/75/587434275.db2.gz AEBSNXPYPDGVSP-FVMDXXJSSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC[S@](C)=O ZINC000828317725 587434276 /nfs/dbraw/zinc/43/42/76/587434276.db2.gz AEBSNXPYPDGVSP-FVMDXXJSSA-N 1 2 248.392 0.600 20 0 BCADLO COC[C@@H]1C[N@H+](CC[S@](C)=O)C[C@@H](C)O1 ZINC000828389353 587439351 /nfs/dbraw/zinc/43/93/51/587439351.db2.gz IOMQSLNEWGKEMI-FTGAXOIBSA-N 1 2 235.349 0.101 20 0 BCADLO COC[C@@H]1C[N@@H+](CC[S@](C)=O)C[C@@H](C)O1 ZINC000828389353 587439352 /nfs/dbraw/zinc/43/93/52/587439352.db2.gz IOMQSLNEWGKEMI-FTGAXOIBSA-N 1 2 235.349 0.101 20 0 BCADLO CSC[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828398049 587440003 /nfs/dbraw/zinc/44/00/03/587440003.db2.gz UFQSNUUBNQWCCA-JTQLQIEISA-N 1 2 243.332 0.182 20 0 BCADLO C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480198 587444933 /nfs/dbraw/zinc/44/49/33/587444933.db2.gz DZGRUEKVMWJAIM-ZJUUUORDSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480198 587444934 /nfs/dbraw/zinc/44/49/34/587444934.db2.gz DZGRUEKVMWJAIM-ZJUUUORDSA-N 1 2 227.308 0.423 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000828519302 587447086 /nfs/dbraw/zinc/44/70/86/587447086.db2.gz CXTPNGIRASLBFH-MEDUHNTESA-N 1 2 247.360 0.246 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000828519302 587447087 /nfs/dbraw/zinc/44/70/87/587447087.db2.gz CXTPNGIRASLBFH-MEDUHNTESA-N 1 2 247.360 0.246 20 0 BCADLO CCC(CC)([NH2+]CC[S@](C)=O)C(=O)OC ZINC000828846228 587466092 /nfs/dbraw/zinc/46/60/92/587466092.db2.gz BUICXDHFJITOGZ-HNNXBMFYSA-N 1 2 235.349 0.686 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccn(CCF)n1 ZINC000828859140 587466798 /nfs/dbraw/zinc/46/67/98/587466798.db2.gz SEJQIRYPEYUTKG-UHFFFAOYSA-N 1 2 237.238 0.688 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccnn1C ZINC000828909138 587471455 /nfs/dbraw/zinc/47/14/55/587471455.db2.gz UQEHOLGRQOTJTJ-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccnn1C ZINC000828915533 587471778 /nfs/dbraw/zinc/47/17/78/587471778.db2.gz QFAKFPRDQMGSAA-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cnc(Cl)cn2)C1 ZINC000829069519 587481646 /nfs/dbraw/zinc/48/16/46/587481646.db2.gz BCBXWIYDBAYNMI-UHFFFAOYSA-N 1 2 240.694 0.437 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000829107690 587483131 /nfs/dbraw/zinc/48/31/31/587483131.db2.gz RONQPKQZIZBEDY-HWPZZCPQSA-N 1 2 246.376 0.211 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000829107690 587483132 /nfs/dbraw/zinc/48/31/32/587483132.db2.gz RONQPKQZIZBEDY-HWPZZCPQSA-N 1 2 246.376 0.211 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829241913 587490103 /nfs/dbraw/zinc/49/01/03/587490103.db2.gz GMMRCHFRLIGYRA-MEBBXXQBSA-N 1 2 249.401 0.573 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829241913 587490104 /nfs/dbraw/zinc/49/01/04/587490104.db2.gz GMMRCHFRLIGYRA-MEBBXXQBSA-N 1 2 249.401 0.573 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829318627 587492280 /nfs/dbraw/zinc/49/22/80/587492280.db2.gz MBGSHMDPHUGROV-AWEZNQCLSA-N 1 2 249.310 0.925 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829318627 587492282 /nfs/dbraw/zinc/49/22/82/587492282.db2.gz MBGSHMDPHUGROV-AWEZNQCLSA-N 1 2 249.310 0.925 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C(C)(C)O)cc2C1 ZINC000829429235 587496579 /nfs/dbraw/zinc/49/65/79/587496579.db2.gz ZHTZGXFAPWHAKX-UHFFFAOYSA-N 1 2 238.291 0.038 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C(C)(C)O)cc2C1 ZINC000829429235 587496580 /nfs/dbraw/zinc/49/65/80/587496580.db2.gz ZHTZGXFAPWHAKX-UHFFFAOYSA-N 1 2 238.291 0.038 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3ccon3)cc2C1 ZINC000829456782 587498852 /nfs/dbraw/zinc/49/88/52/587498852.db2.gz FPDUIGHNJZOXEN-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3ccon3)cc2C1 ZINC000829456782 587498854 /nfs/dbraw/zinc/49/88/54/587498854.db2.gz FPDUIGHNJZOXEN-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO CCOCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472192 587499459 /nfs/dbraw/zinc/49/94/59/587499459.db2.gz MWWKGPJFDWEZEI-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO CCOCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472192 587499461 /nfs/dbraw/zinc/49/94/61/587499461.db2.gz MWWKGPJFDWEZEI-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO CCCN(CC(C)(C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC000829547053 587503601 /nfs/dbraw/zinc/50/36/01/587503601.db2.gz WKSKYNUZEVADLV-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CN(C(=O)/C=C/c1cn(C)c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000829601541 587505312 /nfs/dbraw/zinc/50/53/12/587505312.db2.gz LXGRYOZYPABDPF-BYAJROORSA-N 1 2 249.314 0.805 20 0 BCADLO CN(C(=O)/C=C\c1cn(C)c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000829601542 587505326 /nfs/dbraw/zinc/50/53/26/587505326.db2.gz LXGRYOZYPABDPF-UXFRKABBSA-N 1 2 249.314 0.805 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000829658952 587507776 /nfs/dbraw/zinc/50/77/76/587507776.db2.gz AVJNETKWDNPKKX-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000829658952 587507777 /nfs/dbraw/zinc/50/77/77/587507777.db2.gz AVJNETKWDNPKKX-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829670635 587508875 /nfs/dbraw/zinc/50/88/75/587508875.db2.gz MSLXTTFXEIMJIZ-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)cn(C)c1=O ZINC000830523814 587556252 /nfs/dbraw/zinc/55/62/52/587556252.db2.gz WSGGJZQNYROIBO-UHFFFAOYSA-N 1 2 246.270 0.598 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000830623460 587560922 /nfs/dbraw/zinc/56/09/22/587560922.db2.gz RRMPYOSPZAFAAG-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000830623460 587560924 /nfs/dbraw/zinc/56/09/24/587560924.db2.gz RRMPYOSPZAFAAG-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC2(CCC2)O1 ZINC000830702578 587564420 /nfs/dbraw/zinc/56/44/20/587564420.db2.gz ASZIODVQFRFHSU-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC2(CCC2)O1 ZINC000830702578 587564422 /nfs/dbraw/zinc/56/44/22/587564422.db2.gz ASZIODVQFRFHSU-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709038 587564910 /nfs/dbraw/zinc/56/49/10/587564910.db2.gz VQBKGIMGFVGZGA-ZJUUUORDSA-N 1 2 225.288 0.945 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709038 587564911 /nfs/dbraw/zinc/56/49/11/587564911.db2.gz VQBKGIMGFVGZGA-ZJUUUORDSA-N 1 2 225.288 0.945 20 0 BCADLO CC(C)(O)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830720178 587565312 /nfs/dbraw/zinc/56/53/12/587565312.db2.gz FVYPCNZBCSKCRA-VIFPVBQESA-N 1 2 237.303 0.714 20 0 BCADLO CC(C)(O)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830720176 587565490 /nfs/dbraw/zinc/56/54/90/587565490.db2.gz FVYPCNZBCSKCRA-SECBINFHSA-N 1 2 237.303 0.714 20 0 BCADLO COC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000830838519 587573248 /nfs/dbraw/zinc/57/32/48/587573248.db2.gz DRDXLNZAAFHIPD-UHFFFAOYSA-N 1 2 210.233 0.605 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N2)c(N(C)C)[nH+]1 ZINC000830889791 587575087 /nfs/dbraw/zinc/57/50/87/587575087.db2.gz JQRWDMOTJBEHQT-VIFPVBQESA-N 1 2 248.286 0.283 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CC(=O)N2)c(N(C)C)[nH+]1 ZINC000830889755 587575429 /nfs/dbraw/zinc/57/54/29/587575429.db2.gz JQRWDMOTJBEHQT-SECBINFHSA-N 1 2 248.286 0.283 20 0 BCADLO CC(C)OC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000830945198 587578748 /nfs/dbraw/zinc/57/87/48/587578748.db2.gz XBRUHQJKLFZNBF-NSHDSACASA-N 1 2 242.319 0.938 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(CC(F)C2)C1 ZINC000831042909 587583599 /nfs/dbraw/zinc/58/35/99/587583599.db2.gz AKNDYQBJNYWMKB-UHFFFAOYSA-N 1 2 223.251 0.913 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC000831305810 587597362 /nfs/dbraw/zinc/59/73/62/587597362.db2.gz ZSQYAHKXUFUFHT-VHSXEESVSA-N 1 2 239.319 0.628 20 0 BCADLO CC(C)(CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831394887 587603206 /nfs/dbraw/zinc/60/32/06/587603206.db2.gz SDPSRWBLTNPFIR-UHFFFAOYSA-N 1 2 211.265 0.229 20 0 BCADLO O=C(NC1(CO)CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000831523144 587616207 /nfs/dbraw/zinc/61/62/07/587616207.db2.gz ACRSQOMACOYTOF-VIFPVBQESA-N 1 2 249.314 0.546 20 0 BCADLO O=C(NC1(CO)CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000831523144 587616208 /nfs/dbraw/zinc/61/62/08/587616208.db2.gz ACRSQOMACOYTOF-VIFPVBQESA-N 1 2 249.314 0.546 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831523223 587616246 /nfs/dbraw/zinc/61/62/46/587616246.db2.gz BOAXNJVNKJRUSK-SSDOTTSWSA-N 1 2 211.265 0.228 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CC1CC1 ZINC000831581306 587620657 /nfs/dbraw/zinc/62/06/57/587620657.db2.gz LMRUACASSRAZSO-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000831582602 587620663 /nfs/dbraw/zinc/62/06/63/587620663.db2.gz ZPTMBHQCAFTMAB-JOYOIKCWSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000831582602 587620665 /nfs/dbraw/zinc/62/06/65/587620665.db2.gz ZPTMBHQCAFTMAB-JOYOIKCWSA-N 1 2 249.314 0.402 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831606616 587622370 /nfs/dbraw/zinc/62/23/70/587622370.db2.gz FNCXPDUTTJWCLY-ZJUUUORDSA-N 1 2 235.287 0.844 20 0 BCADLO CC[C@](C)(CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831786345 587631897 /nfs/dbraw/zinc/63/18/97/587631897.db2.gz YMYKRGQEVCRJAR-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831816764 587632677 /nfs/dbraw/zinc/63/26/77/587632677.db2.gz HIGULASVIQTIIZ-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000831947039 587637898 /nfs/dbraw/zinc/63/78/98/587637898.db2.gz CTHQEOUPYDQOKE-ZJUUUORDSA-N 1 2 239.319 0.565 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000831947039 587637900 /nfs/dbraw/zinc/63/79/00/587637900.db2.gz CTHQEOUPYDQOKE-ZJUUUORDSA-N 1 2 239.319 0.565 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831960702 587639383 /nfs/dbraw/zinc/63/93/83/587639383.db2.gz GYAAFCTUMPOPDH-MRVPVSSYSA-N 1 2 225.292 0.475 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001396 587642069 /nfs/dbraw/zinc/64/20/69/587642069.db2.gz LGODSCRPQIPJME-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001396 587642070 /nfs/dbraw/zinc/64/20/70/587642070.db2.gz LGODSCRPQIPJME-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832003589 587642082 /nfs/dbraw/zinc/64/20/82/587642082.db2.gz SZAYAHNKPQSJJR-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC2(CCC2)C1 ZINC000832180742 587648751 /nfs/dbraw/zinc/64/87/51/587648751.db2.gz CBNOVAQQBUVBJA-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCC1=O ZINC000832460054 587661290 /nfs/dbraw/zinc/66/12/90/587661290.db2.gz GAXCUKIRVIMHOR-QMMMGPOBSA-N 1 2 221.260 0.390 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(OC(F)F)C1 ZINC000832635642 587671283 /nfs/dbraw/zinc/67/12/83/587671283.db2.gz ZGQDXTQGWRVHLE-UHFFFAOYSA-N 1 2 231.202 0.402 20 0 BCADLO CCC[C@@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000832642901 587672911 /nfs/dbraw/zinc/67/29/11/587672911.db2.gz LTEAIWHVUDWJKC-SECBINFHSA-N 1 2 225.292 0.999 20 0 BCADLO CCOC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000832660808 587675222 /nfs/dbraw/zinc/67/52/22/587675222.db2.gz HBTDRCCPFKODEA-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CO ZINC000832759098 587685824 /nfs/dbraw/zinc/68/58/24/587685824.db2.gz HFBCPXUURUMRHN-RKDXNWHRSA-N 1 2 223.276 0.182 20 0 BCADLO COC[C@H](C)OC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000867081676 587695552 /nfs/dbraw/zinc/69/55/52/587695552.db2.gz OEEUMHYPLFZUDT-VIFPVBQESA-N 1 2 239.275 0.911 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1ccc[nH]c1=O ZINC000833305876 587705103 /nfs/dbraw/zinc/70/51/03/587705103.db2.gz YJUKEGZXKNOMPY-SECBINFHSA-N 1 2 244.254 0.859 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000833760339 587730903 /nfs/dbraw/zinc/73/09/03/587730903.db2.gz OORLLCRRCVPVFF-SECBINFHSA-N 1 2 223.276 0.684 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000833760339 587730904 /nfs/dbraw/zinc/73/09/04/587730904.db2.gz OORLLCRRCVPVFF-SECBINFHSA-N 1 2 223.276 0.684 20 0 BCADLO C[NH+](C)CCONC(=O)[C@@H]1CC1(Cl)Cl ZINC000833859143 587736913 /nfs/dbraw/zinc/73/69/13/587736913.db2.gz ATEIGXGWJGYHLV-LURJTMIESA-N 1 2 241.118 0.790 20 0 BCADLO O=C([O-])N[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000834190831 587748728 /nfs/dbraw/zinc/74/87/28/587748728.db2.gz UZKJMJTXJUPQLS-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000834190831 587748729 /nfs/dbraw/zinc/74/87/29/587748729.db2.gz UZKJMJTXJUPQLS-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2C[C@H](O)C2)c[nH+]1 ZINC000834769770 587766377 /nfs/dbraw/zinc/76/63/77/587766377.db2.gz BYDXZMLHZIYYEC-ZKCHVHJHSA-N 1 2 209.249 0.219 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(CCO)CC(F)F ZINC000834812033 587767502 /nfs/dbraw/zinc/76/75/02/587767502.db2.gz HPJBPRADMWFYAP-UHFFFAOYSA-N 1 2 233.218 0.038 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1=CCCCO1 ZINC000121454716 587836034 /nfs/dbraw/zinc/83/60/34/587836034.db2.gz QEERTEUZBINMRM-UHFFFAOYSA-N 1 2 235.287 0.773 20 0 BCADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C(C)(F)F ZINC000837185633 587858430 /nfs/dbraw/zinc/85/84/30/587858430.db2.gz CGQXQZRDJYFSBS-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C(C)(F)F ZINC000837185633 587858432 /nfs/dbraw/zinc/85/84/32/587858432.db2.gz CGQXQZRDJYFSBS-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO CC(C)OCC[N@H+](C)CCS(C)(=O)=O ZINC000102772207 587865200 /nfs/dbraw/zinc/86/52/00/587865200.db2.gz LSNAODMTPCPMOP-UHFFFAOYSA-N 1 2 223.338 0.388 20 0 BCADLO CC(C)OCC[N@@H+](C)CCS(C)(=O)=O ZINC000102772207 587865203 /nfs/dbraw/zinc/86/52/03/587865203.db2.gz LSNAODMTPCPMOP-UHFFFAOYSA-N 1 2 223.338 0.388 20 0 BCADLO CCC[C@@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000837806568 587896276 /nfs/dbraw/zinc/89/62/76/587896276.db2.gz UMNDBZJJBDJFFS-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+]C12CCC(O)CC2 ZINC000840821148 587923177 /nfs/dbraw/zinc/92/31/77/587923177.db2.gz YRWPVWZLKCMAFG-UHFFFAOYSA-N 1 2 238.331 0.992 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000840908535 587929649 /nfs/dbraw/zinc/92/96/49/587929649.db2.gz DZOWQJLAZLIBIJ-UHFFFAOYSA-N 1 2 238.291 0.269 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1F ZINC000867253297 587947894 /nfs/dbraw/zinc/94/78/94/587947894.db2.gz AHVGKUBVYAKQHE-MRTMQBJTSA-N 1 2 241.266 0.650 20 0 BCADLO C[NH+]1CCN(C(=O)C2SCCCS2)CC1 ZINC000841374992 587952850 /nfs/dbraw/zinc/95/28/50/587952850.db2.gz AVDUXMIAMYTQPG-UHFFFAOYSA-N 1 2 246.401 0.957 20 0 BCADLO COC1CC[NH+](CN2CC(F)(F)CC2=O)CC1 ZINC000841673975 587971126 /nfs/dbraw/zinc/97/11/26/587971126.db2.gz LTNQJMBFEXBXHC-UHFFFAOYSA-N 1 2 248.273 0.922 20 0 BCADLO O=C1CC(F)(F)CN1C[N@@H+]1CCCOCC1 ZINC000841678001 587971895 /nfs/dbraw/zinc/97/18/95/587971895.db2.gz SQWYIHZYZTUBOX-UHFFFAOYSA-N 1 2 234.246 0.534 20 0 BCADLO O=C1CC(F)(F)CN1C[N@H+]1CCCOCC1 ZINC000841678001 587971897 /nfs/dbraw/zinc/97/18/97/587971897.db2.gz SQWYIHZYZTUBOX-UHFFFAOYSA-N 1 2 234.246 0.534 20 0 BCADLO CCn1nc(C)c(CO[NH+]=C(N)[C@@H](C)OC)n1 ZINC000842036688 587991932 /nfs/dbraw/zinc/99/19/32/587991932.db2.gz OWOUNTTXBVNXAR-MRVPVSSYSA-N 1 2 241.295 0.640 20 0 BCADLO Cc1nn(C)cc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000842046439 587992574 /nfs/dbraw/zinc/99/25/74/587992574.db2.gz CXKDGWHLHYIROX-SNVBAGLBSA-N 1 2 238.291 0.906 20 0 BCADLO CCc1nn(C[N@H+](C)CC2CC2)c(=O)n1CC ZINC000842594399 588044899 /nfs/dbraw/zinc/04/48/99/588044899.db2.gz LZMMVEBIJUWXFY-UHFFFAOYSA-N 1 2 238.335 0.926 20 0 BCADLO CCc1nn(C[N@@H+](C)CC2CC2)c(=O)n1CC ZINC000842594399 588044900 /nfs/dbraw/zinc/04/49/00/588044900.db2.gz LZMMVEBIJUWXFY-UHFFFAOYSA-N 1 2 238.335 0.926 20 0 BCADLO COC[C@@H](C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655347 588049909 /nfs/dbraw/zinc/04/99/09/588049909.db2.gz DSWXPJUFFLCRCQ-NXEZZACHSA-N 1 2 246.307 0.715 20 0 BCADLO COCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842659248 588049935 /nfs/dbraw/zinc/04/99/35/588049935.db2.gz BHAIHUJPIUBPRX-SECBINFHSA-N 1 2 232.280 0.184 20 0 BCADLO NC(COC[C@@H]1CCOC1)=[NH+]OCC1CC1 ZINC000842657015 588050300 /nfs/dbraw/zinc/05/03/00/588050300.db2.gz ISTVYOAHYMWWPF-SNVBAGLBSA-N 1 2 228.292 0.948 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661220 588050849 /nfs/dbraw/zinc/05/08/49/588050849.db2.gz MFMFRYOKKZNMKQ-ZJUUUORDSA-N 1 2 246.307 0.573 20 0 BCADLO CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842660345 588050909 /nfs/dbraw/zinc/05/09/09/588050909.db2.gz INJGZFSGKHASPL-MRVPVSSYSA-N 1 2 202.254 0.558 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cc(C)on1 ZINC000843430135 588105645 /nfs/dbraw/zinc/10/56/45/588105645.db2.gz GJJOIUDIFHYRNK-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO COc1ncncc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000843404600 588106926 /nfs/dbraw/zinc/10/69/26/588106926.db2.gz KHEZBUDETKKDJI-PWSUYJOCSA-N 1 2 235.287 0.299 20 0 BCADLO COc1ncncc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000843404600 588106927 /nfs/dbraw/zinc/10/69/27/588106927.db2.gz KHEZBUDETKKDJI-PWSUYJOCSA-N 1 2 235.287 0.299 20 0 BCADLO Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)nn1 ZINC000843416780 588107257 /nfs/dbraw/zinc/10/72/57/588107257.db2.gz XOYZTEYNBPXUAD-UHFFFAOYSA-N 1 2 220.276 0.092 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(F)ncc1F ZINC000843428172 588108577 /nfs/dbraw/zinc/10/85/77/588108577.db2.gz QNXIVEHVXHWNNC-UHFFFAOYSA-N 1 2 243.257 0.928 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(F)ncc1F ZINC000843428172 588108578 /nfs/dbraw/zinc/10/85/78/588108578.db2.gz QNXIVEHVXHWNNC-UHFFFAOYSA-N 1 2 243.257 0.928 20 0 BCADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000844134875 588169726 /nfs/dbraw/zinc/16/97/26/588169726.db2.gz KQENKKAPTZPDIU-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844137873 588170322 /nfs/dbraw/zinc/17/03/22/588170322.db2.gz CVBGTXXOJRWZGV-JQWIXIFHSA-N 1 2 249.314 0.333 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCCN(C=O)CC1 ZINC000844333613 588185651 /nfs/dbraw/zinc/18/56/51/588185651.db2.gz NBUCVNOUQQAQIA-UHFFFAOYSA-N 1 2 240.332 0.511 20 0 BCADLO Cc1nnsc1C[N@H+]1CCCN(C=O)CC1 ZINC000844333613 588185652 /nfs/dbraw/zinc/18/56/52/588185652.db2.gz NBUCVNOUQQAQIA-UHFFFAOYSA-N 1 2 240.332 0.511 20 0 BCADLO COC/C(C)=C\C(=O)NCc1c[nH+]cn1C ZINC000844538207 588201233 /nfs/dbraw/zinc/20/12/33/588201233.db2.gz WVAAJSJENZSOMI-WTKPLQERSA-N 1 2 223.276 0.629 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)CCOC ZINC000844633236 588212077 /nfs/dbraw/zinc/21/20/77/588212077.db2.gz ZNERPIQCWQQTOO-QMMMGPOBSA-N 1 2 204.270 0.069 20 0 BCADLO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c(=O)n1C ZINC000844694323 588213070 /nfs/dbraw/zinc/21/30/70/588213070.db2.gz MRGOUMZMBYTQMR-RKDXNWHRSA-N 1 2 224.308 0.436 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=O)n1C ZINC000844697943 588214514 /nfs/dbraw/zinc/21/45/14/588214514.db2.gz ILHNXFCSTVFPDT-IUCAKERBSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=O)n1C ZINC000844697943 588214515 /nfs/dbraw/zinc/21/45/15/588214515.db2.gz ILHNXFCSTVFPDT-IUCAKERBSA-N 1 2 224.308 0.578 20 0 BCADLO COC(=O)CCCO[NH+]=C(N)COC(C)C ZINC000844764691 588216576 /nfs/dbraw/zinc/21/65/76/588216576.db2.gz YWSYPFLMKYJXHQ-UHFFFAOYSA-N 1 2 232.280 0.863 20 0 BCADLO C[C@H](CC(=O)O[C@H]1CCOC1=O)n1cc[nH+]c1 ZINC000845279517 588225405 /nfs/dbraw/zinc/22/54/05/588225405.db2.gz OEXWODKQJBJEGG-BDAKNGLRSA-N 1 2 238.243 0.693 20 0 BCADLO C[C@@H](CC(=O)O[C@H]1CCOC1=O)n1cc[nH+]c1 ZINC000845279519 588225439 /nfs/dbraw/zinc/22/54/39/588225439.db2.gz OEXWODKQJBJEGG-IUCAKERBSA-N 1 2 238.243 0.693 20 0 BCADLO C[C@H](CC(=O)OCCOCCO)n1cc[nH+]c1 ZINC000845282263 588225537 /nfs/dbraw/zinc/22/55/37/588225537.db2.gz MYDUTINDEWDWAT-SNVBAGLBSA-N 1 2 242.275 0.386 20 0 BCADLO CCOC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279308 588225570 /nfs/dbraw/zinc/22/55/70/588225570.db2.gz ZHVZFRSUTMURLK-SECBINFHSA-N 1 2 240.259 0.941 20 0 BCADLO C[C@@H](CC(=O)O[C@@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000845498374 588230954 /nfs/dbraw/zinc/23/09/54/588230954.db2.gz YIFZSSKESMCUDL-IUCAKERBSA-N 1 2 237.259 0.266 20 0 BCADLO CCONC(=O)CNc1cc[nH+]cc1C ZINC000845713417 588242119 /nfs/dbraw/zinc/24/21/19/588242119.db2.gz KAYWGYAOFYUZLN-UHFFFAOYSA-N 1 2 209.249 0.292 20 0 BCADLO CCONC(=O)CNc1cc[nH+]c(CC)c1 ZINC000845717864 588242576 /nfs/dbraw/zinc/24/25/76/588242576.db2.gz NMVMTJZKKIYKJD-UHFFFAOYSA-N 1 2 223.276 0.546 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000845849035 588247383 /nfs/dbraw/zinc/24/73/83/588247383.db2.gz XGVWRDXJJBLLBT-HYHWUIIZSA-N 1 2 249.314 0.976 20 0 BCADLO COCC(C)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000845849035 588247384 /nfs/dbraw/zinc/24/73/84/588247384.db2.gz XGVWRDXJJBLLBT-HYHWUIIZSA-N 1 2 249.314 0.976 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000846085182 588255833 /nfs/dbraw/zinc/25/58/33/588255833.db2.gz XLIOREABIRGSQG-NXEZZACHSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCCSC1 ZINC000846084355 588255863 /nfs/dbraw/zinc/25/58/63/588255863.db2.gz CKLCPGGDCAEWGS-QMMMGPOBSA-N 1 2 218.322 0.539 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000846082988 588255875 /nfs/dbraw/zinc/25/58/75/588255875.db2.gz QMQHSRPXRLKKLW-MYJAWHEDSA-N 1 2 230.308 0.600 20 0 BCADLO CCONC(=O)C[NH2+]CC1(C)CCC1 ZINC000846085058 588255972 /nfs/dbraw/zinc/25/59/72/588255972.db2.gz ISTBNQAROKVXHJ-UHFFFAOYSA-N 1 2 200.282 0.834 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000846090786 588256180 /nfs/dbraw/zinc/25/61/80/588256180.db2.gz DRQORVLUQRTGDZ-UWVGGRQHSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H]1CC ZINC000846090956 588256236 /nfs/dbraw/zinc/25/62/36/588256236.db2.gz GPWOSGASOAGZNP-DTWKUNHWSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H]1SC ZINC000846090916 588256361 /nfs/dbraw/zinc/25/63/61/588256361.db2.gz NBTIXAHNZWLUBD-HTQZYQBOSA-N 1 2 218.322 0.538 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@H]1CC ZINC000846090955 588256448 /nfs/dbraw/zinc/25/64/48/588256448.db2.gz GPWOSGASOAGZNP-BDAKNGLRSA-N 1 2 200.282 0.832 20 0 BCADLO Cc1nonc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846245708 588262479 /nfs/dbraw/zinc/26/24/79/588262479.db2.gz IGMBIFQEBIGZFV-UHFFFAOYSA-N 1 2 235.247 0.766 20 0 BCADLO CCn1ncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000846246177 588262672 /nfs/dbraw/zinc/26/26/72/588262672.db2.gz FVVXEIVHMRRDHB-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@H]1O ZINC000846266365 588263304 /nfs/dbraw/zinc/26/33/04/588263304.db2.gz FCUUIDPXYAJDOY-GHMZBOCLSA-N 1 2 249.314 0.401 20 0 BCADLO CCN1CCC([N@H+](C)CCS(C)(=O)=O)CC1 ZINC000106388479 588269939 /nfs/dbraw/zinc/26/99/39/588269939.db2.gz WHQBUVZXFJWHNH-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CCC([N@@H+](C)CCS(C)(=O)=O)CC1 ZINC000106388479 588269940 /nfs/dbraw/zinc/26/99/40/588269940.db2.gz WHQBUVZXFJWHNH-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H](CC(=O)Nn1ccccc1=O)n1cc[nH+]c1 ZINC000846637469 588280622 /nfs/dbraw/zinc/28/06/22/588280622.db2.gz WXNJEJJFNISEBD-JTQLQIEISA-N 1 2 246.270 0.766 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCOCC2(C)C)OC1=O ZINC000846780378 588287832 /nfs/dbraw/zinc/28/78/32/588287832.db2.gz QPDCSSNBOUSTSJ-JTQLQIEISA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCOCC2(C)C)OC1=O ZINC000846780378 588287833 /nfs/dbraw/zinc/28/78/33/588287833.db2.gz QPDCSSNBOUSTSJ-JTQLQIEISA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@@H](C)[C@@H]2C)OC1=O ZINC000846817021 588290675 /nfs/dbraw/zinc/29/06/75/588290675.db2.gz KGNWTPSKCQZNAR-GARJFASQSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@@H](C)[C@@H]2C)OC1=O ZINC000846817021 588290676 /nfs/dbraw/zinc/29/06/76/588290676.db2.gz KGNWTPSKCQZNAR-GARJFASQSA-N 1 2 242.319 0.936 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnsn2)[C@@H]1C ZINC000846868438 588294354 /nfs/dbraw/zinc/29/43/54/588294354.db2.gz NINYRBINRHMGGP-APPZFPTMSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnsn2)[C@@H]1C ZINC000846868438 588294355 /nfs/dbraw/zinc/29/43/55/588294355.db2.gz NINYRBINRHMGGP-APPZFPTMSA-N 1 2 241.316 0.922 20 0 BCADLO O=C1C[C@@]2(CC[N@H+](Cc3cnsn3)C2)CN1 ZINC000846879294 588294671 /nfs/dbraw/zinc/29/46/71/588294671.db2.gz LAKGFJIWMHEHIY-JTQLQIEISA-N 1 2 238.316 0.250 20 0 BCADLO O=C1C[C@@]2(CC[N@@H+](Cc3cnsn3)C2)CN1 ZINC000846879294 588294672 /nfs/dbraw/zinc/29/46/72/588294672.db2.gz LAKGFJIWMHEHIY-JTQLQIEISA-N 1 2 238.316 0.250 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCOC[C@H]2C)OC1=O ZINC000846877864 588295031 /nfs/dbraw/zinc/29/50/31/588295031.db2.gz CYBCCYHEGSEWOX-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCOC[C@H]2C)OC1=O ZINC000846877864 588295032 /nfs/dbraw/zinc/29/50/32/588295032.db2.gz CYBCCYHEGSEWOX-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@@H](C[N@H+](C)[C@H](C)C(=O)OC)OC1=O ZINC000846884011 588295317 /nfs/dbraw/zinc/29/53/17/588295317.db2.gz OXABCJBBIWCDJY-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)OC)OC1=O ZINC000846884011 588295318 /nfs/dbraw/zinc/29/53/18/588295318.db2.gz OXABCJBBIWCDJY-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO C[N@@H+]1CCN(CC[S@@](C)=O)CC1(C)C ZINC000846888906 588295417 /nfs/dbraw/zinc/29/54/17/588295417.db2.gz LMGQKAOBUWDRHG-CQSZACIVSA-N 1 2 218.366 0.391 20 0 BCADLO C[N@H+]1CCN(CC[S@@](C)=O)CC1(C)C ZINC000846888906 588295418 /nfs/dbraw/zinc/29/54/18/588295418.db2.gz LMGQKAOBUWDRHG-CQSZACIVSA-N 1 2 218.366 0.391 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CC[C@H](F)C2)OC1=O ZINC000846935721 588297407 /nfs/dbraw/zinc/29/74/07/588297407.db2.gz KIDCOUISHLZSNP-DTWKUNHWSA-N 1 2 216.256 0.871 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CC[C@H](F)C2)OC1=O ZINC000846935721 588297408 /nfs/dbraw/zinc/29/74/08/588297408.db2.gz KIDCOUISHLZSNP-DTWKUNHWSA-N 1 2 216.256 0.871 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC(=O)N1 ZINC000846961372 588298654 /nfs/dbraw/zinc/29/86/54/588298654.db2.gz WMDWGWXVEDSTGF-MRVPVSSYSA-N 1 2 246.270 0.543 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CC(=O)N1 ZINC000846961372 588298655 /nfs/dbraw/zinc/29/86/55/588298655.db2.gz WMDWGWXVEDSTGF-MRVPVSSYSA-N 1 2 246.270 0.543 20 0 BCADLO CON1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000846970170 588299057 /nfs/dbraw/zinc/29/90/57/588299057.db2.gz BKJDRTSMJHGYGB-UHFFFAOYSA-N 1 2 225.292 0.970 20 0 BCADLO CON1CC[NH+](Cc2cnoc2C)CC1 ZINC000846974747 588299685 /nfs/dbraw/zinc/29/96/85/588299685.db2.gz CUESEZNDEAGTQP-UHFFFAOYSA-N 1 2 211.265 0.662 20 0 BCADLO CON1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000846987289 588300487 /nfs/dbraw/zinc/30/04/87/588300487.db2.gz ZIVUKYOSPKGXQM-UHFFFAOYSA-N 1 2 229.324 0.080 20 0 BCADLO COC(C[N@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000847055263 588305349 /nfs/dbraw/zinc/30/53/49/588305349.db2.gz AMIVYFIOSRXYLE-ZETCQYMHSA-N 1 2 229.280 0.990 20 0 BCADLO COC(C[N@@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000847055263 588305350 /nfs/dbraw/zinc/30/53/50/588305350.db2.gz AMIVYFIOSRXYLE-ZETCQYMHSA-N 1 2 229.280 0.990 20 0 BCADLO C[N@H+](CN1CCSC1=S)[C@@H]1CCOC1 ZINC000106857813 588313352 /nfs/dbraw/zinc/31/33/52/588313352.db2.gz QPMLQZDKIXDOTB-MRVPVSSYSA-N 1 2 232.374 0.998 20 0 BCADLO C[N@@H+](CN1CCSC1=S)[C@@H]1CCOC1 ZINC000106857813 588313354 /nfs/dbraw/zinc/31/33/54/588313354.db2.gz QPMLQZDKIXDOTB-MRVPVSSYSA-N 1 2 232.374 0.998 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000848115732 588357801 /nfs/dbraw/zinc/35/78/01/588357801.db2.gz OTYDRQBGSOUMHN-JTQLQIEISA-N 1 2 217.272 0.903 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000848558787 588397344 /nfs/dbraw/zinc/39/73/44/588397344.db2.gz SLVJFJKXLDEPOL-DTWKUNHWSA-N 1 2 232.349 0.928 20 0 BCADLO Cn1c[nH+]c(CNCc2nnn(C(C)(C)C)n2)c1 ZINC000848562487 588397461 /nfs/dbraw/zinc/39/74/61/588397461.db2.gz DRVJLPBVUPDRIG-UHFFFAOYSA-N 1 2 249.322 0.451 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@@H]2C[C@]2(CO)C1 ZINC000848687148 588405821 /nfs/dbraw/zinc/40/58/21/588405821.db2.gz UQZYTMFNCMRRCA-JOYOIKCWSA-N 1 2 235.287 0.612 20 0 BCADLO CCCCCCNC(=[NH2+])NCC(=O)NOCC ZINC000849048913 588451408 /nfs/dbraw/zinc/45/14/08/588451408.db2.gz NDUQGBQOSSNRIU-UHFFFAOYSA-N 1 2 244.339 0.748 20 0 BCADLO C[C@H](O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849151401 588456282 /nfs/dbraw/zinc/45/62/82/588456282.db2.gz VKSQSZYNXMWHSY-ZETCQYMHSA-N 1 2 220.232 0.208 20 0 BCADLO CC[C@](C)(O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849150672 588456373 /nfs/dbraw/zinc/45/63/73/588456373.db2.gz OMAGPRHPFJAHBR-LBPRGKRZSA-N 1 2 248.286 0.772 20 0 BCADLO CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280506 588469306 /nfs/dbraw/zinc/46/93/06/588469306.db2.gz DPNOHZQNZOAWHP-RKDXNWHRSA-N 1 2 231.365 0.190 20 0 BCADLO CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280506 588469308 /nfs/dbraw/zinc/46/93/08/588469308.db2.gz DPNOHZQNZOAWHP-RKDXNWHRSA-N 1 2 231.365 0.190 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC[C@@H](C)O)C1 ZINC000849735371 588491614 /nfs/dbraw/zinc/49/16/14/588491614.db2.gz TVUBMCJENLLWCV-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC[C@@H](C)O)C1 ZINC000849735371 588491615 /nfs/dbraw/zinc/49/16/15/588491615.db2.gz TVUBMCJENLLWCV-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000885576813 588560177 /nfs/dbraw/zinc/56/01/77/588560177.db2.gz RULFTQXLPVAINZ-UWVGGRQHSA-N 1 2 224.260 0.851 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851710950 588615548 /nfs/dbraw/zinc/61/55/48/588615548.db2.gz RSSAKHDCVQSCJQ-PWSUYJOCSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851710950 588615549 /nfs/dbraw/zinc/61/55/49/588615549.db2.gz RSSAKHDCVQSCJQ-PWSUYJOCSA-N 1 2 222.288 0.836 20 0 BCADLO CCn1ncc(C[NH+]2CCC(O)CC2)n1 ZINC000851723522 588617449 /nfs/dbraw/zinc/61/74/49/588617449.db2.gz ZHKVMGQKTIUIHC-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO O=C1C[N@H+](CCO[C@@H]2CC2(F)F)CCCN1 ZINC000851746238 588622029 /nfs/dbraw/zinc/62/20/29/588622029.db2.gz JBOCZVWYDNLPPN-MRVPVSSYSA-N 1 2 234.246 0.233 20 0 BCADLO O=C1C[N@@H+](CCO[C@@H]2CC2(F)F)CCCN1 ZINC000851746238 588622030 /nfs/dbraw/zinc/62/20/30/588622030.db2.gz JBOCZVWYDNLPPN-MRVPVSSYSA-N 1 2 234.246 0.233 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000851750105 588623310 /nfs/dbraw/zinc/62/33/10/588623310.db2.gz XHUTYMIBXGAMKO-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000851750105 588623311 /nfs/dbraw/zinc/62/33/11/588623311.db2.gz XHUTYMIBXGAMKO-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO COC(=O)C[N@@H+](CCC(OC)OC)C1CC1 ZINC000851802065 588630504 /nfs/dbraw/zinc/63/05/04/588630504.db2.gz CHECGCMZZCZEQR-UHFFFAOYSA-N 1 2 231.292 0.633 20 0 BCADLO COC(=O)C[N@H+](CCC(OC)OC)C1CC1 ZINC000851802065 588630505 /nfs/dbraw/zinc/63/05/05/588630505.db2.gz CHECGCMZZCZEQR-UHFFFAOYSA-N 1 2 231.292 0.633 20 0 BCADLO C[N@H+](CCOC(F)F)Cc1nnc2n1CCC2 ZINC000851808995 588632074 /nfs/dbraw/zinc/63/20/74/588632074.db2.gz SUYVOHPAZUHREN-UHFFFAOYSA-N 1 2 246.261 0.895 20 0 BCADLO C[N@@H+](CCOC(F)F)Cc1nnc2n1CCC2 ZINC000851808995 588632075 /nfs/dbraw/zinc/63/20/75/588632075.db2.gz SUYVOHPAZUHREN-UHFFFAOYSA-N 1 2 246.261 0.895 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cnon2)C1 ZINC000851810517 588632341 /nfs/dbraw/zinc/63/23/41/588632341.db2.gz IBROSUNNSSBOQC-JTQLQIEISA-N 1 2 225.248 0.455 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cnon2)C1 ZINC000851810517 588632342 /nfs/dbraw/zinc/63/23/42/588632342.db2.gz IBROSUNNSSBOQC-JTQLQIEISA-N 1 2 225.248 0.455 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1cnon1)C(N)=O ZINC000851851794 588634955 /nfs/dbraw/zinc/63/49/55/588634955.db2.gz TWYOQTGVNHYLPL-SSDOTTSWSA-N 1 2 212.253 0.059 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)C(C)(C)C ZINC000851853214 588635301 /nfs/dbraw/zinc/63/53/01/588635301.db2.gz GFPDSNAQWVNCFS-WCBMZHEXSA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(=O)O1)C(C)(C)C ZINC000851853215 588635337 /nfs/dbraw/zinc/63/53/37/588635337.db2.gz GFPDSNAQWVNCFS-WPRPVWTQSA-N 1 2 243.303 0.869 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1COC(C)(C)O1 ZINC000851873905 588637913 /nfs/dbraw/zinc/63/79/13/588637913.db2.gz SVQCGTLRNCUWME-SECBINFHSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1COC(C)(C)O1 ZINC000851873905 588637914 /nfs/dbraw/zinc/63/79/14/588637914.db2.gz SVQCGTLRNCUWME-SECBINFHSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1COC(C)(C)O1 ZINC000851873905 588637915 /nfs/dbraw/zinc/63/79/15/588637915.db2.gz SVQCGTLRNCUWME-SECBINFHSA-N 1 2 225.292 0.993 20 0 BCADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)co1 ZINC000851878062 588638914 /nfs/dbraw/zinc/63/89/14/588638914.db2.gz ZSXXCKBOLUNBBL-BDAKNGLRSA-N 1 2 242.300 0.521 20 0 BCADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)co1 ZINC000851878062 588638915 /nfs/dbraw/zinc/63/89/15/588638915.db2.gz ZSXXCKBOLUNBBL-BDAKNGLRSA-N 1 2 242.300 0.521 20 0 BCADLO CCn1ncc(C[N@H+](C)C2(COC)CC2)n1 ZINC000851878802 588639046 /nfs/dbraw/zinc/63/90/46/588639046.db2.gz QOIDXCVJRCEEQN-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](C)C2(COC)CC2)n1 ZINC000851878802 588639047 /nfs/dbraw/zinc/63/90/47/588639047.db2.gz QOIDXCVJRCEEQN-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851885152 588640246 /nfs/dbraw/zinc/64/02/46/588640246.db2.gz XINKITCVUIIMBQ-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851885152 588640247 /nfs/dbraw/zinc/64/02/47/588640247.db2.gz XINKITCVUIIMBQ-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000851931512 588644807 /nfs/dbraw/zinc/64/48/07/588644807.db2.gz VKXCNMYFIVBCQA-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000851934349 588645354 /nfs/dbraw/zinc/64/53/54/588645354.db2.gz IZRUYUQUTHUZKX-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000851934349 588645355 /nfs/dbraw/zinc/64/53/55/588645355.db2.gz IZRUYUQUTHUZKX-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000851956045 588647484 /nfs/dbraw/zinc/64/74/84/588647484.db2.gz BDVNSGRMKMZLPA-GXSJLCMTSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000851956045 588647485 /nfs/dbraw/zinc/64/74/85/588647485.db2.gz BDVNSGRMKMZLPA-GXSJLCMTSA-N 1 2 224.308 0.501 20 0 BCADLO OC1(C(F)F)CC[NH+](Cc2cnon2)CC1 ZINC000851956239 588648056 /nfs/dbraw/zinc/64/80/56/588648056.db2.gz DDZGNPKLZWZJJD-UHFFFAOYSA-N 1 2 233.218 0.662 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851965987 588648327 /nfs/dbraw/zinc/64/83/27/588648327.db2.gz BRZWYNICTGHXCR-FVMDXXJSSA-N 1 2 245.344 0.535 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851965987 588648328 /nfs/dbraw/zinc/64/83/28/588648328.db2.gz BRZWYNICTGHXCR-FVMDXXJSSA-N 1 2 245.344 0.535 20 0 BCADLO COC[C@H]1C[N@H+](CCOC(F)F)C[C@@H](C)O1 ZINC000851971157 588649440 /nfs/dbraw/zinc/64/94/40/588649440.db2.gz ONOKMSCIQSBCPW-RKDXNWHRSA-N 1 2 239.262 0.961 20 0 BCADLO COC[C@H]1C[N@@H+](CCOC(F)F)C[C@@H](C)O1 ZINC000851971157 588649441 /nfs/dbraw/zinc/64/94/41/588649441.db2.gz ONOKMSCIQSBCPW-RKDXNWHRSA-N 1 2 239.262 0.961 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973668 588650016 /nfs/dbraw/zinc/65/00/16/588650016.db2.gz HJQFJIHEVZSQTN-DTWKUNHWSA-N 1 2 222.292 0.730 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973668 588650017 /nfs/dbraw/zinc/65/00/17/588650017.db2.gz HJQFJIHEVZSQTN-DTWKUNHWSA-N 1 2 222.292 0.730 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000851974050 588650061 /nfs/dbraw/zinc/65/00/61/588650061.db2.gz QCWHMZRYIOBNEJ-MRVPVSSYSA-N 1 2 238.291 0.314 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000851974050 588650062 /nfs/dbraw/zinc/65/00/62/588650062.db2.gz QCWHMZRYIOBNEJ-MRVPVSSYSA-N 1 2 238.291 0.314 20 0 BCADLO OC[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1O ZINC000851978528 588651096 /nfs/dbraw/zinc/65/10/96/588651096.db2.gz NBAPAPWYPDTHIV-JGVFFNPUSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1O ZINC000851978528 588651097 /nfs/dbraw/zinc/65/10/97/588651097.db2.gz NBAPAPWYPDTHIV-JGVFFNPUSA-N 1 2 240.130 0.981 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CC(=O)N1C ZINC000852012598 588655298 /nfs/dbraw/zinc/65/52/98/588655298.db2.gz CCRREBPAVNLDTO-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CC(=O)N1C ZINC000852012598 588655299 /nfs/dbraw/zinc/65/52/99/588655299.db2.gz CCRREBPAVNLDTO-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO CC[N@H+](Cc1cccc(F)n1)[C@H]1CCNC1=O ZINC000852013610 588655433 /nfs/dbraw/zinc/65/54/33/588655433.db2.gz WLCLJMYLRSBHMK-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1cccc(F)n1)[C@H]1CCNC1=O ZINC000852013610 588655434 /nfs/dbraw/zinc/65/54/34/588655434.db2.gz WLCLJMYLRSBHMK-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO O[C@H](C[N@@H+]1CCOCC12CC2)c1ccccn1 ZINC000852018231 588655918 /nfs/dbraw/zinc/65/59/18/588655918.db2.gz KHLMIRWEOWMEGB-GFCCVEGCSA-N 1 2 234.299 0.980 20 0 BCADLO O[C@H](C[N@H+]1CCOCC12CC2)c1ccccn1 ZINC000852018231 588655919 /nfs/dbraw/zinc/65/59/19/588655919.db2.gz KHLMIRWEOWMEGB-GFCCVEGCSA-N 1 2 234.299 0.980 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1CCc1cnn[nH]1 ZINC000852069500 588658714 /nfs/dbraw/zinc/65/87/14/588658714.db2.gz FEJINIOIEBHTHP-VIFPVBQESA-N 1 2 210.281 0.192 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1CCc1cnn[nH]1 ZINC000852069500 588658715 /nfs/dbraw/zinc/65/87/15/588658715.db2.gz FEJINIOIEBHTHP-VIFPVBQESA-N 1 2 210.281 0.192 20 0 BCADLO CC1(C)OC[C@@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000852066617 588658915 /nfs/dbraw/zinc/65/89/15/588658915.db2.gz SIXPWBSMTYDWIE-LLVKDONJSA-N 1 2 237.303 0.850 20 0 BCADLO CCn1nc(C)c(CN2CCn3c[nH+]cc3C2)n1 ZINC000852066866 588658935 /nfs/dbraw/zinc/65/89/35/588658935.db2.gz UKFAALODFHAFEL-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO COC[C@H](C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000852078485 588660109 /nfs/dbraw/zinc/66/01/09/588660109.db2.gz CONBDSCSMHSUOU-VHSXEESVSA-N 1 2 245.319 0.674 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000852078485 588660110 /nfs/dbraw/zinc/66/01/10/588660110.db2.gz CONBDSCSMHSUOU-VHSXEESVSA-N 1 2 245.319 0.674 20 0 BCADLO C[N@H+](Cc1cccc(F)n1)C(C)(C)C(N)=O ZINC000852097249 588662329 /nfs/dbraw/zinc/66/23/29/588662329.db2.gz SUVVPFAHEQRAMF-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO C[N@@H+](Cc1cccc(F)n1)C(C)(C)C(N)=O ZINC000852097249 588662330 /nfs/dbraw/zinc/66/23/30/588662330.db2.gz SUVVPFAHEQRAMF-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO O[C@@H](C[N@H+](C1CC1)C1COC1)c1ccccn1 ZINC000852097231 588662437 /nfs/dbraw/zinc/66/24/37/588662437.db2.gz SLOGKCNVHZEPKM-ZDUSSCGKSA-N 1 2 234.299 0.978 20 0 BCADLO O[C@@H](C[N@@H+](C1CC1)C1COC1)c1ccccn1 ZINC000852097231 588662438 /nfs/dbraw/zinc/66/24/38/588662438.db2.gz SLOGKCNVHZEPKM-ZDUSSCGKSA-N 1 2 234.299 0.978 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCCCCO ZINC000852158491 588668250 /nfs/dbraw/zinc/66/82/50/588668250.db2.gz WZHRHUWFYAXYLP-NSHDSACASA-N 1 2 233.308 0.053 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)n1 ZINC000852183946 588670136 /nfs/dbraw/zinc/67/01/36/588670136.db2.gz BUONBFGTXWWUFW-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](NC(C)=O)C2)n1 ZINC000852183946 588670137 /nfs/dbraw/zinc/67/01/37/588670137.db2.gz BUONBFGTXWWUFW-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)cn1 ZINC000852189184 588670869 /nfs/dbraw/zinc/67/08/69/588670869.db2.gz YRZDZVNJCXILQX-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)cn1 ZINC000852189184 588670870 /nfs/dbraw/zinc/67/08/70/588670870.db2.gz YRZDZVNJCXILQX-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC000852191179 588671050 /nfs/dbraw/zinc/67/10/50/588671050.db2.gz VNCZXCBNSDARHK-JTQLQIEISA-N 1 2 234.263 0.498 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC000852191179 588671051 /nfs/dbraw/zinc/67/10/51/588671051.db2.gz VNCZXCBNSDARHK-JTQLQIEISA-N 1 2 234.263 0.498 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187808 588671152 /nfs/dbraw/zinc/67/11/52/588671152.db2.gz UKZPXAFKTGZGNS-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187808 588671153 /nfs/dbraw/zinc/67/11/53/588671153.db2.gz UKZPXAFKTGZGNS-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)n1 ZINC000852213521 588672844 /nfs/dbraw/zinc/67/28/44/588672844.db2.gz LEKFINULRMBXLQ-PUTJDCORSA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)n1 ZINC000852213521 588672845 /nfs/dbraw/zinc/67/28/45/588672845.db2.gz LEKFINULRMBXLQ-PUTJDCORSA-N 1 2 240.303 0.926 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1COC(C)(C)O1 ZINC000852287148 588674785 /nfs/dbraw/zinc/67/47/85/588674785.db2.gz BFOFNOYAPFFTAV-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1COC(C)(C)O1 ZINC000852287148 588674786 /nfs/dbraw/zinc/67/47/86/588674786.db2.gz BFOFNOYAPFFTAV-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1COC(C)(C)O1 ZINC000852287148 588674787 /nfs/dbraw/zinc/67/47/87/588674787.db2.gz BFOFNOYAPFFTAV-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1COC(C)(C)O1 ZINC000852287148 588674788 /nfs/dbraw/zinc/67/47/88/588674788.db2.gz BFOFNOYAPFFTAV-JTQLQIEISA-N 1 2 225.292 0.993 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852296570 588677157 /nfs/dbraw/zinc/67/71/57/588677157.db2.gz XXPJMFUTPAUUMG-UHFFFAOYSA-N 1 2 246.314 0.790 20 0 BCADLO Cn1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852296570 588677158 /nfs/dbraw/zinc/67/71/58/588677158.db2.gz XXPJMFUTPAUUMG-UHFFFAOYSA-N 1 2 246.314 0.790 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852322865 588678256 /nfs/dbraw/zinc/67/82/56/588678256.db2.gz ROMRLTCOTMLNAH-LBPRGKRZSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852322865 588678257 /nfs/dbraw/zinc/67/82/57/588678257.db2.gz ROMRLTCOTMLNAH-LBPRGKRZSA-N 1 2 242.319 0.507 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000852361770 588679982 /nfs/dbraw/zinc/67/99/82/588679982.db2.gz FXUUOBXZBACJHX-IUCAKERBSA-N 1 2 238.291 0.662 20 0 BCADLO CCC(=O)CC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000852443438 588682612 /nfs/dbraw/zinc/68/26/12/588682612.db2.gz KTSBKVKCXPLPJN-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO CCC(=O)CC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000852443438 588682613 /nfs/dbraw/zinc/68/26/13/588682613.db2.gz KTSBKVKCXPLPJN-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1CCS(C)(=O)=O ZINC000852441357 588682641 /nfs/dbraw/zinc/68/26/41/588682641.db2.gz NGHYZAOZLGMJFQ-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1CCS(C)(=O)=O ZINC000852441357 588682642 /nfs/dbraw/zinc/68/26/42/588682642.db2.gz NGHYZAOZLGMJFQ-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCOC(F)F ZINC000852443823 588682732 /nfs/dbraw/zinc/68/27/32/588682732.db2.gz PJAHWKRNEWYUJV-UHFFFAOYSA-N 1 2 235.230 0.863 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCOC(F)F ZINC000852443823 588682733 /nfs/dbraw/zinc/68/27/33/588682733.db2.gz PJAHWKRNEWYUJV-UHFFFAOYSA-N 1 2 235.230 0.863 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NC1CC1 ZINC000852485189 588684900 /nfs/dbraw/zinc/68/49/00/588684900.db2.gz SCZFSKPWHUYAKZ-UHFFFAOYSA-N 1 2 218.272 0.183 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NC1CC1 ZINC000852485189 588684901 /nfs/dbraw/zinc/68/49/01/588684901.db2.gz SCZFSKPWHUYAKZ-UHFFFAOYSA-N 1 2 218.272 0.183 20 0 BCADLO Cn1cc(C[N@H+](C)CCOC(F)F)nn1 ZINC000852550559 588689023 /nfs/dbraw/zinc/68/90/23/588689023.db2.gz BCMJXOIOHFIYMW-UHFFFAOYSA-N 1 2 220.223 0.486 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOC(F)F)nn1 ZINC000852550559 588689024 /nfs/dbraw/zinc/68/90/24/588689024.db2.gz BCMJXOIOHFIYMW-UHFFFAOYSA-N 1 2 220.223 0.486 20 0 BCADLO COC(=O)N(C)CCN(C)Cc1[nH+]ccn1C ZINC000852568625 588691307 /nfs/dbraw/zinc/69/13/07/588691307.db2.gz LMLNHZBZUKVZNO-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1nccn1C ZINC000852568625 588691308 /nfs/dbraw/zinc/69/13/08/588691308.db2.gz LMLNHZBZUKVZNO-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1nccn1C ZINC000852568625 588691309 /nfs/dbraw/zinc/69/13/09/588691309.db2.gz LMLNHZBZUKVZNO-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)C1CC1 ZINC000852578463 588691574 /nfs/dbraw/zinc/69/15/74/588691574.db2.gz NIUZDWWOXAWZCQ-MWLCHTKSSA-N 1 2 233.283 0.638 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000852578197 588691646 /nfs/dbraw/zinc/69/16/46/588691646.db2.gz WLBRSHGDKVKLHH-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000852578197 588691647 /nfs/dbraw/zinc/69/16/47/588691647.db2.gz WLBRSHGDKVKLHH-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO CN1CC[N@H+](Cc2ccc(F)cn2)CCC1=O ZINC000852577227 588691721 /nfs/dbraw/zinc/69/17/21/588691721.db2.gz AKMCMURPXDRBSP-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(F)cn2)CCC1=O ZINC000852577227 588691722 /nfs/dbraw/zinc/69/17/22/588691722.db2.gz AKMCMURPXDRBSP-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852583745 588691847 /nfs/dbraw/zinc/69/18/47/588691847.db2.gz BGKDUNFRWRKHNX-XHNCKOQMSA-N 1 2 211.261 0.195 20 0 BCADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCF ZINC000852635569 588693545 /nfs/dbraw/zinc/69/35/45/588693545.db2.gz VEMNOOAGVWEBNA-SNVBAGLBSA-N 1 2 219.256 0.610 20 0 BCADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCF ZINC000852635569 588693546 /nfs/dbraw/zinc/69/35/46/588693546.db2.gz VEMNOOAGVWEBNA-SNVBAGLBSA-N 1 2 219.256 0.610 20 0 BCADLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000852768455 588701163 /nfs/dbraw/zinc/70/11/63/588701163.db2.gz ABTHCHGAGBSLQH-QMMMGPOBSA-N 1 2 244.291 0.368 20 0 BCADLO O=C(OCC[NH+]1CCC1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000861390768 589164145 /nfs/dbraw/zinc/16/41/45/589164145.db2.gz LHPILVFUTSIZJW-AXFHLTTASA-N 1 2 237.299 0.851 20 0 BCADLO CCn1ncc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000861762760 589177157 /nfs/dbraw/zinc/17/71/57/589177157.db2.gz FHPALCDSQHPHAE-UHFFFAOYSA-N 1 2 246.274 0.220 20 0 BCADLO CCn1ncc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000861762760 589177159 /nfs/dbraw/zinc/17/71/59/589177159.db2.gz FHPALCDSQHPHAE-UHFFFAOYSA-N 1 2 246.274 0.220 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1cc(=O)[nH]cn1 ZINC000861854681 589180725 /nfs/dbraw/zinc/18/07/25/589180725.db2.gz ZHCBPZGHFRAKQT-ZETCQYMHSA-N 1 2 245.242 0.254 20 0 BCADLO Cc1c(C[N@@H+]2CCNC(=O)CC2)ccnc1F ZINC000862238660 589196238 /nfs/dbraw/zinc/19/62/38/589196238.db2.gz DRRLWQWZHSNMIQ-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1c(C[N@H+]2CCNC(=O)CC2)ccnc1F ZINC000862238660 589196239 /nfs/dbraw/zinc/19/62/39/589196239.db2.gz DRRLWQWZHSNMIQ-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)o1 ZINC000862248986 589197742 /nfs/dbraw/zinc/19/77/42/589197742.db2.gz VSCJXRZFJCVIAR-VIFPVBQESA-N 1 2 237.259 0.619 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)o1 ZINC000862248986 589197743 /nfs/dbraw/zinc/19/77/43/589197743.db2.gz VSCJXRZFJCVIAR-VIFPVBQESA-N 1 2 237.259 0.619 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC000862337815 589202069 /nfs/dbraw/zinc/20/20/69/589202069.db2.gz XFUVAHYOFLOHPY-SECBINFHSA-N 1 2 222.292 0.381 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cnc(C)o1 ZINC000862403914 589209573 /nfs/dbraw/zinc/20/95/73/589209573.db2.gz XQQWUOKVCFRPGK-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1csnn1 ZINC000862539454 589218336 /nfs/dbraw/zinc/21/83/36/589218336.db2.gz MMMXNFFAMDACBS-LURJTMIESA-N 1 2 230.293 0.036 20 0 BCADLO COC(=O)C1=CC[C@H]([NH2+]Cc2csnn2)C1 ZINC000862465291 589215911 /nfs/dbraw/zinc/21/59/11/589215911.db2.gz GOIVWHFFWIFNRJ-QMMMGPOBSA-N 1 2 239.300 0.890 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862534458 589218133 /nfs/dbraw/zinc/21/81/33/589218133.db2.gz CHCWIJXMQZEABM-JTQLQIEISA-N 1 2 224.260 0.356 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862534458 589218134 /nfs/dbraw/zinc/21/81/34/589218134.db2.gz CHCWIJXMQZEABM-JTQLQIEISA-N 1 2 224.260 0.356 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000862539975 589218799 /nfs/dbraw/zinc/21/87/99/589218799.db2.gz ZCTKLUHNFAIAIR-ZETCQYMHSA-N 1 2 227.264 0.481 20 0 BCADLO C[C@@H](CC(=O)NN1CCOC1=O)n1cc[nH+]c1 ZINC000862704292 589235327 /nfs/dbraw/zinc/23/53/27/589235327.db2.gz FEDHOPATQVRTCI-QMMMGPOBSA-N 1 2 238.247 0.318 20 0 BCADLO O=C(Nn1cccn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000862767444 589238957 /nfs/dbraw/zinc/23/89/57/589238957.db2.gz BMFJPXWVDCELIJ-VIFPVBQESA-N 1 2 231.259 0.412 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000862769620 589239894 /nfs/dbraw/zinc/23/98/94/589239894.db2.gz KDPNBGONPORRMC-MRVPVSSYSA-N 1 2 231.259 0.481 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000862769620 589239895 /nfs/dbraw/zinc/23/98/95/589239895.db2.gz KDPNBGONPORRMC-MRVPVSSYSA-N 1 2 231.259 0.481 20 0 BCADLO C[C@H](CC(=O)Nn1cccn1)n1cc[nH+]c1 ZINC000862769830 589240277 /nfs/dbraw/zinc/24/02/77/589240277.db2.gz OQCRMKFLZCTKOH-SECBINFHSA-N 1 2 219.248 0.801 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H]1CCOC1=O)C(C)C ZINC000119195754 589247781 /nfs/dbraw/zinc/24/77/81/589247781.db2.gz DDYWMONWRAJIQS-NXEZZACHSA-N 1 2 243.303 0.727 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H]1CCOC1=O)C(C)C ZINC000119195976 589247837 /nfs/dbraw/zinc/24/78/37/589247837.db2.gz DDYWMONWRAJIQS-VHSXEESVSA-N 1 2 243.303 0.727 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862968651 589249523 /nfs/dbraw/zinc/24/95/23/589249523.db2.gz AHRLMWIEFVOOKS-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862968651 589249525 /nfs/dbraw/zinc/24/95/25/589249525.db2.gz AHRLMWIEFVOOKS-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C=C1CCCC1 ZINC000862973562 589250016 /nfs/dbraw/zinc/25/00/16/589250016.db2.gz PYXZNZTXUCCBRV-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C=C1CCCC1 ZINC000862973562 589250018 /nfs/dbraw/zinc/25/00/18/589250018.db2.gz PYXZNZTXUCCBRV-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969188 589250054 /nfs/dbraw/zinc/25/00/54/589250054.db2.gz BKRYGFRDOYZBBZ-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969188 589250055 /nfs/dbraw/zinc/25/00/55/589250055.db2.gz BKRYGFRDOYZBBZ-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862970324 589250106 /nfs/dbraw/zinc/25/01/06/589250106.db2.gz ZCNUXNQBUWUASI-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862970324 589250108 /nfs/dbraw/zinc/25/01/08/589250108.db2.gz ZCNUXNQBUWUASI-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC000862972041 589250388 /nfs/dbraw/zinc/25/03/88/589250388.db2.gz XSZKQELVQMRENR-ITKZLYELSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC000862972041 589250389 /nfs/dbraw/zinc/25/03/89/589250389.db2.gz XSZKQELVQMRENR-ITKZLYELSA-N 1 2 249.314 0.475 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)nc1 ZINC000862972251 589250433 /nfs/dbraw/zinc/25/04/33/589250433.db2.gz ZBYQJPCVQKTCLA-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC000862972251 589250434 /nfs/dbraw/zinc/25/04/34/589250434.db2.gz ZBYQJPCVQKTCLA-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=S)NC1(C)CC1 ZINC000863226418 589273238 /nfs/dbraw/zinc/27/32/38/589273238.db2.gz FNYUBVWXNPYWHF-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=S)NC1(C)CC1 ZINC000863226418 589273239 /nfs/dbraw/zinc/27/32/39/589273239.db2.gz FNYUBVWXNPYWHF-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=S)NCC1CC1 ZINC000863226836 589273283 /nfs/dbraw/zinc/27/32/83/589273283.db2.gz UVPJDAWKNVAEIQ-SNVBAGLBSA-N 1 2 243.376 0.191 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=S)NCC1CC1 ZINC000863226836 589273284 /nfs/dbraw/zinc/27/32/84/589273284.db2.gz UVPJDAWKNVAEIQ-SNVBAGLBSA-N 1 2 243.376 0.191 20 0 BCADLO COC[C@]1(C)C[N@H+](CN2CCCC2=O)CCO1 ZINC000863343606 589281154 /nfs/dbraw/zinc/28/11/54/589281154.db2.gz ZULJMACMSLFBML-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO COC[C@]1(C)C[N@@H+](CN2CCCC2=O)CCO1 ZINC000863343606 589281155 /nfs/dbraw/zinc/28/11/55/589281155.db2.gz ZULJMACMSLFBML-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)C(=O)OC ZINC000863381854 589285636 /nfs/dbraw/zinc/28/56/36/589285636.db2.gz SCSMSHLVICVUPY-UWVGGRQHSA-N 1 2 241.287 0.789 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nn1ccccc1=O ZINC000863903828 589325013 /nfs/dbraw/zinc/32/50/13/589325013.db2.gz VDSZPMLXZCKXHI-SECBINFHSA-N 1 2 246.270 0.520 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nn1ccccc1=O ZINC000863903828 589325015 /nfs/dbraw/zinc/32/50/15/589325015.db2.gz VDSZPMLXZCKXHI-SECBINFHSA-N 1 2 246.270 0.520 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nn1ccccc1=O ZINC000863903829 589325144 /nfs/dbraw/zinc/32/51/44/589325144.db2.gz VDSZPMLXZCKXHI-VIFPVBQESA-N 1 2 246.270 0.520 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nn1ccccc1=O ZINC000863903829 589325145 /nfs/dbraw/zinc/32/51/45/589325145.db2.gz VDSZPMLXZCKXHI-VIFPVBQESA-N 1 2 246.270 0.520 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c(=O)o1 ZINC000119812116 589334046 /nfs/dbraw/zinc/33/40/46/589334046.db2.gz RVUWHKFAMXVPML-DTWKUNHWSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c(=O)o1 ZINC000119812116 589334048 /nfs/dbraw/zinc/33/40/48/589334048.db2.gz RVUWHKFAMXVPML-DTWKUNHWSA-N 1 2 241.291 0.671 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000864053922 589334297 /nfs/dbraw/zinc/33/42/97/589334297.db2.gz PYMGXIGUSKZLMW-ZCFIWIBFSA-N 1 2 244.320 0.344 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)CS1(=O)=O ZINC000864049864 589335072 /nfs/dbraw/zinc/33/50/72/589335072.db2.gz MYBJQSJQCMZOLK-RKDXNWHRSA-N 1 2 243.332 0.465 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)CS1(=O)=O ZINC000864049862 589335305 /nfs/dbraw/zinc/33/53/05/589335305.db2.gz MYBJQSJQCMZOLK-DTWKUNHWSA-N 1 2 243.332 0.465 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000864064399 589337680 /nfs/dbraw/zinc/33/76/80/589337680.db2.gz UTZYDSDPXOBDAO-WEDXCCLWSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000864064399 589337681 /nfs/dbraw/zinc/33/76/81/589337681.db2.gz UTZYDSDPXOBDAO-WEDXCCLWSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000864064397 589338006 /nfs/dbraw/zinc/33/80/06/589338006.db2.gz UTZYDSDPXOBDAO-MRTMQBJTSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000864064397 589338008 /nfs/dbraw/zinc/33/80/08/589338008.db2.gz UTZYDSDPXOBDAO-MRTMQBJTSA-N 1 2 223.276 0.634 20 0 BCADLO CS[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000864076183 589340407 /nfs/dbraw/zinc/34/04/07/589340407.db2.gz KGPWSAJYTCELJU-XWEPSHTISA-N 1 2 225.317 0.962 20 0 BCADLO CS[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864076183 589340409 /nfs/dbraw/zinc/34/04/09/589340409.db2.gz KGPWSAJYTCELJU-XWEPSHTISA-N 1 2 225.317 0.962 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864079351 589341218 /nfs/dbraw/zinc/34/12/18/589341218.db2.gz WONWINNQMNFCJB-YNYSXPKMSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864079351 589341220 /nfs/dbraw/zinc/34/12/20/589341220.db2.gz WONWINNQMNFCJB-YNYSXPKMSA-N 1 2 230.283 0.385 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864078517 589341290 /nfs/dbraw/zinc/34/12/90/589341290.db2.gz KLPHIIBHSBYBOY-WDEREUQCSA-N 1 2 235.287 0.636 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864078517 589341292 /nfs/dbraw/zinc/34/12/92/589341292.db2.gz KLPHIIBHSBYBOY-WDEREUQCSA-N 1 2 235.287 0.636 20 0 BCADLO CC/C=C(\F)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864083121 589341759 /nfs/dbraw/zinc/34/17/59/589341759.db2.gz ZEJVFXQZKVJHHB-BABIGQSTSA-N 1 2 230.283 0.697 20 0 BCADLO CC/C=C(\F)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864083121 589341761 /nfs/dbraw/zinc/34/17/61/589341761.db2.gz ZEJVFXQZKVJHHB-BABIGQSTSA-N 1 2 230.283 0.697 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(F)nn1 ZINC000864092793 589343696 /nfs/dbraw/zinc/34/36/96/589343696.db2.gz YDRIHNNRJYUJLP-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(F)nn1 ZINC000864092793 589343698 /nfs/dbraw/zinc/34/36/98/589343698.db2.gz YDRIHNNRJYUJLP-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCCCC1 ZINC000864381087 589356676 /nfs/dbraw/zinc/35/66/76/589356676.db2.gz QEGYEMVXFIGEJM-JTQLQIEISA-N 1 2 223.276 0.846 20 0 BCADLO COCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864414649 589360377 /nfs/dbraw/zinc/36/03/77/589360377.db2.gz LFTVSDYITLTAIV-RQOWECAXSA-N 1 2 242.319 0.028 20 0 BCADLO NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000864420442 589360990 /nfs/dbraw/zinc/36/09/90/589360990.db2.gz RLAMPWQZMXCNQY-JTQLQIEISA-N 1 2 232.287 0.945 20 0 BCADLO CC/C=C(\F)C(=O)NCC[NH+]1CCOCC1 ZINC000864430857 589362715 /nfs/dbraw/zinc/36/27/15/589362715.db2.gz JJFMMDDPNYZSEE-KMKOMSMNSA-N 1 2 230.283 0.698 20 0 BCADLO COC[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864442106 589363397 /nfs/dbraw/zinc/36/33/97/589363397.db2.gz HMPXIRSXUHARMU-DLRQAJBASA-N 1 2 242.319 0.026 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864468768 589372626 /nfs/dbraw/zinc/37/26/26/589372626.db2.gz IWMQSIWZKWENFV-VIFPVBQESA-N 1 2 242.323 0.310 20 0 BCADLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000864569991 589379198 /nfs/dbraw/zinc/37/91/98/589379198.db2.gz OKIZKNNCVPYXCL-KXMPLOMGSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864569994 589379477 /nfs/dbraw/zinc/37/94/77/589379477.db2.gz OKIZKNNCVPYXCL-QUCGXOGASA-N 1 2 238.331 0.790 20 0 BCADLO O=C(C=CC[NH+]1CCOCC1)Nc1ccncc1 ZINC000864611174 589383336 /nfs/dbraw/zinc/38/33/36/589383336.db2.gz WYDRSTLHFCZBED-UPHRSURJSA-N 1 2 247.298 0.330 20 0 BCADLO CON(C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864684991 589389388 /nfs/dbraw/zinc/38/93/88/589389388.db2.gz DBGMDDGUCSOUNV-MRVPVSSYSA-N 1 2 236.262 0.983 20 0 BCADLO CON(C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864684991 589389390 /nfs/dbraw/zinc/38/93/90/589389390.db2.gz DBGMDDGUCSOUNV-MRVPVSSYSA-N 1 2 236.262 0.983 20 0 BCADLO CC(C)CCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864812961 589395554 /nfs/dbraw/zinc/39/55/54/589395554.db2.gz JOLCYPNNPJJXCD-JTQLQIEISA-N 1 2 225.292 0.948 20 0 BCADLO CN(C(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864836272 589397451 /nfs/dbraw/zinc/39/74/51/589397451.db2.gz IJQAADIDWFPMHL-IHWYPQMZSA-N 1 2 224.304 0.496 20 0 BCADLO CCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864909517 589400677 /nfs/dbraw/zinc/40/06/77/589400677.db2.gz DKVKMDUXDYSSRW-ONEGZZNKSA-N 1 2 242.319 0.028 20 0 BCADLO CN(CC1CC1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864930502 589401287 /nfs/dbraw/zinc/40/12/87/589401287.db2.gz LVCBQUFCWCVZTL-NSCUHMNNSA-N 1 2 238.331 0.743 20 0 BCADLO CC1(C)COCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864996519 589403989 /nfs/dbraw/zinc/40/39/89/589403989.db2.gz UQGCTKWMDARVPN-SECBINFHSA-N 1 2 239.275 0.081 20 0 BCADLO Cn1c(CO)nn(C[NH+]2CCCCC2)c1=S ZINC000120332691 589404724 /nfs/dbraw/zinc/40/47/24/589404724.db2.gz ZHEFPPITPOEREC-UHFFFAOYSA-N 1 2 242.348 0.887 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865081680 589408000 /nfs/dbraw/zinc/40/80/00/589408000.db2.gz CWAWYYUSLUIQLF-CBAPKCEASA-N 1 2 211.265 0.700 20 0 BCADLO C[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865095445 589409154 /nfs/dbraw/zinc/40/91/54/589409154.db2.gz NHNMDPXARVDUPC-JDGPPOGSSA-N 1 2 238.331 0.743 20 0 BCADLO C[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865095448 589409172 /nfs/dbraw/zinc/40/91/72/589409172.db2.gz NHNMDPXARVDUPC-QAVQXKDTSA-N 1 2 238.331 0.743 20 0 BCADLO CC(C)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000865151574 589411347 /nfs/dbraw/zinc/41/13/47/589411347.db2.gz QLDGBWDYENVIIS-SNVBAGLBSA-N 1 2 223.276 0.843 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C1CC1 ZINC000865156168 589411580 /nfs/dbraw/zinc/41/15/80/589411580.db2.gz CCFJBDMHNUNFRT-WDEREUQCSA-N 1 2 235.287 0.844 20 0 BCADLO CN(CC(F)F)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865163598 589412015 /nfs/dbraw/zinc/41/20/15/589412015.db2.gz OQRNAQYKLSESCY-NSCUHMNNSA-N 1 2 248.273 0.598 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(CC(F)F)C1CC1 ZINC000865202011 589414339 /nfs/dbraw/zinc/41/43/39/589414339.db2.gz LYLYCTHPWAYDFQ-VIFPVBQESA-N 1 2 245.229 0.699 20 0 BCADLO O[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000865203613 589414383 /nfs/dbraw/zinc/41/43/83/589414383.db2.gz GLENLBTWQPQJFJ-ZJUUUORDSA-N 1 2 235.287 0.286 20 0 BCADLO CC(C)(C)c1cn(CC(=O)NC(N)=O)c[nH+]1 ZINC000865374738 589428481 /nfs/dbraw/zinc/42/84/81/589428481.db2.gz JUFUJQZNSJREDU-UHFFFAOYSA-N 1 2 224.264 0.376 20 0 BCADLO Fc1ccc(NCC[NH+]2CCOCC2)nn1 ZINC000865400813 589432246 /nfs/dbraw/zinc/43/22/46/589432246.db2.gz RYSLGLQNKBADDZ-UHFFFAOYSA-N 1 2 226.255 0.360 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cc(C)no2)C1 ZINC000865496714 589440923 /nfs/dbraw/zinc/44/09/23/589440923.db2.gz XHUQAKFBIXCMCU-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO Nc1nc(N2CC(O)C2)nc(C2CCCC2)[nH+]1 ZINC000865502977 589441875 /nfs/dbraw/zinc/44/18/75/589441875.db2.gz PRWOMIUQVOTBDA-UHFFFAOYSA-N 1 2 235.291 0.292 20 0 BCADLO Nc1nc(C2CCCC2)[nH+]c(N2CC(O)C2)n1 ZINC000865502977 589441876 /nfs/dbraw/zinc/44/18/76/589441876.db2.gz PRWOMIUQVOTBDA-UHFFFAOYSA-N 1 2 235.291 0.292 20 0 BCADLO COc1cncc(C[NH2+]Cc2cnn(C)n2)c1C ZINC000865567625 589447479 /nfs/dbraw/zinc/44/74/79/589447479.db2.gz RIGVICCMUJQOIQ-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](O)C(F)(F)F ZINC000865710794 589457969 /nfs/dbraw/zinc/45/79/69/589457969.db2.gz FFCLZJXLOOAYJQ-VDTYLAMSSA-N 1 2 238.213 0.216 20 0 BCADLO CCN(CC1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865731997 589458911 /nfs/dbraw/zinc/45/89/11/589458911.db2.gz MDCUVJJTVMYQJC-SNVBAGLBSA-N 1 2 223.276 0.702 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)O1 ZINC000865861521 589465597 /nfs/dbraw/zinc/46/55/97/589465597.db2.gz VXEGBZMNTTVPOQ-SNVBAGLBSA-N 1 2 234.255 0.710 20 0 BCADLO O[C@@H]1CC[C@H]1Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865889117 589467375 /nfs/dbraw/zinc/46/73/75/589467375.db2.gz FOOMXZRLSWCAAK-RNFRBKRXSA-N 1 2 238.678 0.968 20 0 BCADLO CCCNc1cc(N2CC(C)(C(N)=O)C2)nc[nH+]1 ZINC000865899047 589467724 /nfs/dbraw/zinc/46/77/24/589467724.db2.gz RLVSZCUTTKDTSU-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CCCNc1cc(N2CC(C)(C(N)=O)C2)[nH+]cn1 ZINC000865899047 589467725 /nfs/dbraw/zinc/46/77/25/589467725.db2.gz RLVSZCUTTKDTSU-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CC(C)Cc1cc(NCCn2cnnn2)nc[nH+]1 ZINC000865903727 589467938 /nfs/dbraw/zinc/46/79/38/589467938.db2.gz SBZOSHOURCSHKA-UHFFFAOYSA-N 1 2 247.306 0.774 20 0 BCADLO COCC[NH+]1CCN(CCC(C)=O)CC1 ZINC000120911690 589476444 /nfs/dbraw/zinc/47/64/44/589476444.db2.gz SSNQPDABCDRRLV-UHFFFAOYSA-N 1 2 214.309 0.230 20 0 BCADLO Cc1nc(N[C@@H](C)c2ccnn2C)nc(N)[nH+]1 ZINC000866252064 589482999 /nfs/dbraw/zinc/48/29/99/589482999.db2.gz FFVCLAFEKCZEKA-LURJTMIESA-N 1 2 233.279 0.669 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2ccnn2C)[nH+]1 ZINC000866252064 589483000 /nfs/dbraw/zinc/48/30/00/589483000.db2.gz FFVCLAFEKCZEKA-LURJTMIESA-N 1 2 233.279 0.669 20 0 BCADLO O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CC(O)C1 ZINC000866544572 589500028 /nfs/dbraw/zinc/50/00/28/589500028.db2.gz VXXSMEMWBOIANF-QMMMGPOBSA-N 1 2 248.273 0.167 20 0 BCADLO O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CC(O)C1 ZINC000866544572 589500030 /nfs/dbraw/zinc/50/00/30/589500030.db2.gz VXXSMEMWBOIANF-QMMMGPOBSA-N 1 2 248.273 0.167 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCCCF ZINC000866743530 589517182 /nfs/dbraw/zinc/51/71/82/589517182.db2.gz RVFPQMKYZZTRTR-IWQZZHSRSA-N 1 2 230.283 0.351 20 0 BCADLO COC[C@H](C)OC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000867561650 589525545 /nfs/dbraw/zinc/52/55/45/589525545.db2.gz DBGDLIAQPSCHMN-UWVGGRQHSA-N 1 2 246.307 0.078 20 0 BCADLO COC[C@H](C)OC(=O)NC[C@H]1COCC[N@H+]1C ZINC000867561650 589525547 /nfs/dbraw/zinc/52/55/47/589525547.db2.gz DBGDLIAQPSCHMN-UWVGGRQHSA-N 1 2 246.307 0.078 20 0 BCADLO CC(C)=CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867733693 589532968 /nfs/dbraw/zinc/53/29/68/589532968.db2.gz OWCKARIBQFAODH-ONEGZZNKSA-N 1 2 238.331 0.957 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC(=O)O1 ZINC000867927580 589539821 /nfs/dbraw/zinc/53/98/21/589539821.db2.gz JLTQRYOFZWFHBG-SECBINFHSA-N 1 2 245.238 0.978 20 0 BCADLO CC1=C[C@H](C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867984028 589542218 /nfs/dbraw/zinc/54/22/18/589542218.db2.gz LXKBJCLZUUTLIV-KWQFWETISA-N 1 2 235.287 0.868 20 0 BCADLO CC1=C[C@@H](C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867984026 589542267 /nfs/dbraw/zinc/54/22/67/589542267.db2.gz LXKBJCLZUUTLIV-KCJUWKMLSA-N 1 2 235.287 0.868 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCC1(O)CCC1 ZINC000868413465 589557761 /nfs/dbraw/zinc/55/77/61/589557761.db2.gz UNXXBFOICWHLSD-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)[C@H](C)O1 ZINC000868412864 589557930 /nfs/dbraw/zinc/55/79/30/589557930.db2.gz KAGQJVGDZYIXHD-WCABBAIRSA-N 1 2 237.303 0.850 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCCCCF ZINC000868482591 589560238 /nfs/dbraw/zinc/56/02/38/589560238.db2.gz RKWHLOPWRRJIAN-ARJAWSKDSA-N 1 2 244.310 0.741 20 0 BCADLO CC[C@@H]1CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868539044 589563245 /nfs/dbraw/zinc/56/32/45/589563245.db2.gz MZCUXMJBCRHVPQ-VSQXVHSFSA-N 1 2 238.331 0.886 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000868577028 589565259 /nfs/dbraw/zinc/56/52/59/589565259.db2.gz LYXQVASXIDJDFT-ZXFLCMHBSA-N 1 2 209.249 0.310 20 0 BCADLO Cc1nnccc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620846 589568399 /nfs/dbraw/zinc/56/83/99/589568399.db2.gz KPYIOQITMSNWPX-JTQLQIEISA-N 1 2 243.270 0.856 20 0 BCADLO CCOC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868621970 589568830 /nfs/dbraw/zinc/56/88/30/589568830.db2.gz UCCXWKVPKINXNK-VIFPVBQESA-N 1 2 239.275 0.081 20 0 BCADLO CS[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868655812 589570477 /nfs/dbraw/zinc/57/04/77/589570477.db2.gz UXIOZJAALMSKJC-IONNQARKSA-N 1 2 241.316 0.407 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC(CF)CF ZINC000868661909 589571541 /nfs/dbraw/zinc/57/15/41/589571541.db2.gz HEGQXFZDEYIPSG-UHFFFAOYSA-N 1 2 232.234 0.859 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC(CC(F)F)C1 ZINC000868967886 589584260 /nfs/dbraw/zinc/58/42/60/589584260.db2.gz RYKSKGAYSUJSCJ-SECBINFHSA-N 1 2 245.229 0.557 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000869114866 589589648 /nfs/dbraw/zinc/58/96/48/589589648.db2.gz KRYGKKCLYHQVQR-MRVPVSSYSA-N 1 2 211.265 0.700 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000869212707 589592873 /nfs/dbraw/zinc/59/28/73/589592873.db2.gz IRZBBYUKCYEXOS-LSJOCFKGSA-N 1 2 235.287 0.844 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](F)C1 ZINC000869222614 589592950 /nfs/dbraw/zinc/59/29/50/589592950.db2.gz GPTCJPHNYBQZOH-QMMMGPOBSA-N 1 2 226.255 0.674 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)OCc1c[nH+]cn1C ZINC000870219997 589650267 /nfs/dbraw/zinc/65/02/67/589650267.db2.gz KZNUEXLHIARTFN-SNVBAGLBSA-N 1 2 239.275 0.378 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCC(=O)O1 ZINC000870331531 589659112 /nfs/dbraw/zinc/65/91/12/589659112.db2.gz RYMDSHNNZHESLO-RKDXNWHRSA-N 1 2 245.250 0.279 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCC(=O)O1 ZINC000870331531 589659114 /nfs/dbraw/zinc/65/91/14/589659114.db2.gz RYMDSHNNZHESLO-RKDXNWHRSA-N 1 2 245.250 0.279 20 0 BCADLO CO[C@H]1CC[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870730126 589687759 /nfs/dbraw/zinc/68/77/59/589687759.db2.gz ZMLOZGUHBMPJSU-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CS[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871097074 589726843 /nfs/dbraw/zinc/72/68/43/589726843.db2.gz CPSHGRDFRFCFAD-ZKCHVHJHSA-N 1 2 225.317 0.962 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=S)NC ZINC000871688199 589791896 /nfs/dbraw/zinc/79/18/96/589791896.db2.gz GEVNEOJJDMGIKL-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=S)NC ZINC000871688199 589791897 /nfs/dbraw/zinc/79/18/97/589791897.db2.gz GEVNEOJJDMGIKL-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871775489 589814170 /nfs/dbraw/zinc/81/41/70/589814170.db2.gz LBXVLBUQATZCDK-UHFFFAOYSA-N 1 2 229.280 0.190 20 0 BCADLO C[C@H]1OC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000871781989 589816648 /nfs/dbraw/zinc/81/66/48/589816648.db2.gz VDZSARQNYKZRNX-ZCFIWIBFSA-N 1 2 221.216 0.531 20 0 BCADLO COCC1(C2CC2)C[NH+](CCS(C)(=O)=O)C1 ZINC000871990202 589854799 /nfs/dbraw/zinc/85/47/99/589854799.db2.gz YUSJEIUYZNQDJG-UHFFFAOYSA-N 1 2 247.360 0.389 20 0 BCADLO CC[NH2+]Cc1noc([C@@H](CC)NC(C)=O)n1 ZINC000872171816 589887758 /nfs/dbraw/zinc/88/77/58/589887758.db2.gz UVIFHKPMRBDCNP-MRVPVSSYSA-N 1 2 226.280 0.766 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)CCF)C1=O ZINC000872265268 589902195 /nfs/dbraw/zinc/90/21/95/589902195.db2.gz MVQGMTSQEKBIJD-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)CCF)C1=O ZINC000872265268 589902198 /nfs/dbraw/zinc/90/21/98/589902198.db2.gz MVQGMTSQEKBIJD-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CN1CC[N@H+](Cc2cn[nH]n2)Cc2cccnc21 ZINC000872318952 589911246 /nfs/dbraw/zinc/91/12/46/589911246.db2.gz DGMUEJKGSABQJZ-UHFFFAOYSA-N 1 2 244.302 0.652 20 0 BCADLO CN1CC[N@@H+](Cc2cn[nH]n2)Cc2cccnc21 ZINC000872318952 589911247 /nfs/dbraw/zinc/91/12/47/589911247.db2.gz DGMUEJKGSABQJZ-UHFFFAOYSA-N 1 2 244.302 0.652 20 0 BCADLO CN1CC[N@H+](Cc2c[nH]nn2)Cc2cccnc21 ZINC000872318952 589911249 /nfs/dbraw/zinc/91/12/49/589911249.db2.gz DGMUEJKGSABQJZ-UHFFFAOYSA-N 1 2 244.302 0.652 20 0 BCADLO CN1CC[N@@H+](Cc2c[nH]nn2)Cc2cccnc21 ZINC000872318952 589911250 /nfs/dbraw/zinc/91/12/50/589911250.db2.gz DGMUEJKGSABQJZ-UHFFFAOYSA-N 1 2 244.302 0.652 20 0 BCADLO O=c1[nH]nc(CNc2cc[nH+]cc2C2CC2)[nH]1 ZINC000872477414 589943141 /nfs/dbraw/zinc/94/31/41/589943141.db2.gz JHRKEWWNGKVONC-UHFFFAOYSA-N 1 2 231.259 0.817 20 0 BCADLO CC[S@](=O)CC[NH2+]Cc1cn[nH]c1C ZINC000124142189 589950637 /nfs/dbraw/zinc/95/06/37/589950637.db2.gz FTSUQLRTTJVKSZ-CQSZACIVSA-N 1 2 215.322 0.576 20 0 BCADLO CC[S@](=O)CC[NH2+]Cc1ccn[nH]1 ZINC000124150430 589952035 /nfs/dbraw/zinc/95/20/35/589952035.db2.gz LACJEUFROZELRQ-CYBMUJFWSA-N 1 2 201.295 0.268 20 0 BCADLO Cc1nc(N2CCC3(CCNC3=O)CC2)cc[nH+]1 ZINC000872640756 589958357 /nfs/dbraw/zinc/95/83/57/589958357.db2.gz PKQHASVBGOVFIM-UHFFFAOYSA-N 1 2 246.314 0.892 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)Cn2cnnc2)C1=O ZINC000872673573 589960383 /nfs/dbraw/zinc/96/03/83/589960383.db2.gz CJCATRBPVRBBKY-JTQLQIEISA-N 1 2 237.307 0.178 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)Cn2cnnc2)C1=O ZINC000872673573 589960384 /nfs/dbraw/zinc/96/03/84/589960384.db2.gz CJCATRBPVRBBKY-JTQLQIEISA-N 1 2 237.307 0.178 20 0 BCADLO O=C1CCN1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872680175 589960696 /nfs/dbraw/zinc/96/06/96/589960696.db2.gz CILGTVYVVQJBDH-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO O=C1CCN1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872680175 589960698 /nfs/dbraw/zinc/96/06/98/589960698.db2.gz CILGTVYVVQJBDH-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO C[C@@H](O)c1ccc(N[C@@H]2CCOC[C@H]2O)[nH+]c1 ZINC000872783619 589970602 /nfs/dbraw/zinc/97/06/02/589970602.db2.gz CNHAYRVKSATQOA-FBIMIBRVSA-N 1 2 238.287 0.697 20 0 BCADLO O=S(=O)(CC[NH2+]Cc1ccon1)C1CC1 ZINC000873132143 589985518 /nfs/dbraw/zinc/98/55/18/589985518.db2.gz IWXLQVHVUSDJNJ-UHFFFAOYSA-N 1 2 230.289 0.341 20 0 BCADLO Nc1cnc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000873204813 589993597 /nfs/dbraw/zinc/99/35/97/589993597.db2.gz JBKJVWUQQITETN-UHFFFAOYSA-N 1 2 236.275 0.008 20 0 BCADLO Nc1cnc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000873204813 589993600 /nfs/dbraw/zinc/99/36/00/589993600.db2.gz JBKJVWUQQITETN-UHFFFAOYSA-N 1 2 236.275 0.008 20 0 BCADLO O=C(C[NH+]1CCCC1)NC1=NCCS1 ZINC000873838001 590073962 /nfs/dbraw/zinc/07/39/62/590073962.db2.gz NLTSGWUSPYHKGV-UHFFFAOYSA-N 1 2 213.306 0.301 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2=NCCS2)[nH+]1 ZINC000873837886 590074151 /nfs/dbraw/zinc/07/41/51/590074151.db2.gz KDUMAQRPBVGSDG-UHFFFAOYSA-N 1 2 238.316 0.734 20 0 BCADLO C[C@@H](O)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124935721 590102769 /nfs/dbraw/zinc/10/27/69/590102769.db2.gz ANNJKAAMWQFQDS-BDAKNGLRSA-N 1 2 210.277 0.952 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000874461653 590113041 /nfs/dbraw/zinc/11/30/41/590113041.db2.gz OFYCCAXGNUMKPW-LBPRGKRZSA-N 1 2 233.271 0.419 20 0 BCADLO Cc1nccnc1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000874659492 590121594 /nfs/dbraw/zinc/12/15/94/590121594.db2.gz SZKSWRBNNCKGFC-SNVBAGLBSA-N 1 2 245.286 0.859 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC1 ZINC000874698347 590124561 /nfs/dbraw/zinc/12/45/61/590124561.db2.gz BLULQKAKZQIHIC-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC1 ZINC000874698347 590124562 /nfs/dbraw/zinc/12/45/62/590124562.db2.gz BLULQKAKZQIHIC-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000875016728 590159523 /nfs/dbraw/zinc/15/95/23/590159523.db2.gz VPBUBYPYRMRUAQ-WPRPVWTQSA-N 1 2 234.303 0.906 20 0 BCADLO Cn1c(Cl)c[nH+]c1Cn1cnccc1=O ZINC000125305921 590160906 /nfs/dbraw/zinc/16/09/06/590160906.db2.gz QLOFQTYAKXTDSU-UHFFFAOYSA-N 1 2 224.651 0.679 20 0 BCADLO O=C(NOCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875619352 590166775 /nfs/dbraw/zinc/16/67/75/590166775.db2.gz MOALLZRMKSBMFW-VIFPVBQESA-N 1 2 236.275 0.449 20 0 BCADLO Cc1nc(C[N@H+](C)CCC2OCCO2)no1 ZINC000125571517 590171075 /nfs/dbraw/zinc/17/10/75/590171075.db2.gz NDQUJWHYAZWMJP-UHFFFAOYSA-N 1 2 227.264 0.573 20 0 BCADLO Cc1nc(C[N@@H+](C)CCC2OCCO2)no1 ZINC000125571517 590171076 /nfs/dbraw/zinc/17/10/76/590171076.db2.gz NDQUJWHYAZWMJP-UHFFFAOYSA-N 1 2 227.264 0.573 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC1(C)C ZINC000875865925 590174360 /nfs/dbraw/zinc/17/43/60/590174360.db2.gz UEIASCLNYMXEQW-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC1(C)C ZINC000875865925 590174362 /nfs/dbraw/zinc/17/43/62/590174362.db2.gz UEIASCLNYMXEQW-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO COc1cnc(F)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000876561691 590215055 /nfs/dbraw/zinc/21/50/55/590215055.db2.gz QKBWJRVHIHVLJB-SECBINFHSA-N 1 2 226.251 0.796 20 0 BCADLO COc1cnc(F)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000876561691 590215056 /nfs/dbraw/zinc/21/50/56/590215056.db2.gz QKBWJRVHIHVLJB-SECBINFHSA-N 1 2 226.251 0.796 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)sn1 ZINC000876640542 590224960 /nfs/dbraw/zinc/22/49/60/590224960.db2.gz XKPGUGHZDSWNHT-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)sn1 ZINC000876640542 590224961 /nfs/dbraw/zinc/22/49/61/590224961.db2.gz XKPGUGHZDSWNHT-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO C[N@H+](Cc1ccc(Cl)nn1)[C@H]1CCNC1=O ZINC000876814889 590245936 /nfs/dbraw/zinc/24/59/36/590245936.db2.gz KNAAOZUUTHPPAL-QMMMGPOBSA-N 1 2 240.694 0.450 20 0 BCADLO C[N@@H+](Cc1ccc(Cl)nn1)[C@H]1CCNC1=O ZINC000876814889 590245937 /nfs/dbraw/zinc/24/59/37/590245937.db2.gz KNAAOZUUTHPPAL-QMMMGPOBSA-N 1 2 240.694 0.450 20 0 BCADLO CCCn1cc(C[N@H+](C)C[C@@H](C)O)nn1 ZINC000877320793 590314948 /nfs/dbraw/zinc/31/49/48/590314948.db2.gz WALMCQZMWYOABJ-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@@H+](C)C[C@@H](C)O)nn1 ZINC000877320793 590314951 /nfs/dbraw/zinc/31/49/51/590314951.db2.gz WALMCQZMWYOABJ-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@H+](C)C[C@H](C)O)nn1 ZINC000877320794 590315241 /nfs/dbraw/zinc/31/52/41/590315241.db2.gz WALMCQZMWYOABJ-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@@H+](C)C[C@H](C)O)nn1 ZINC000877320794 590315246 /nfs/dbraw/zinc/31/52/46/590315246.db2.gz WALMCQZMWYOABJ-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO COC1(C)C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000877533033 590349913 /nfs/dbraw/zinc/34/99/13/590349913.db2.gz JUAHHWUJZPGGAZ-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO CO[C@@H](C[NH+]1CC2(C1)CNC(=O)O2)C1CC1 ZINC000877596302 590369770 /nfs/dbraw/zinc/36/97/70/590369770.db2.gz KTPARJMRZYISKC-VIFPVBQESA-N 1 2 226.276 0.206 20 0 BCADLO CCOC1CC(C[NH+]2CC3(C2)CNC(=O)O3)C1 ZINC000877596274 590370337 /nfs/dbraw/zinc/37/03/37/590370337.db2.gz KIPRWZPAWHUUPU-UHFFFAOYSA-N 1 2 240.303 0.596 20 0 BCADLO CN1CC2(C[NH+](CCC[C@@H]3CCO3)C2)OC1=O ZINC000877595667 590370669 /nfs/dbraw/zinc/37/06/69/590370669.db2.gz GXZZUAMDAUIFOM-SNVBAGLBSA-N 1 2 240.303 0.692 20 0 BCADLO CCONC(=O)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877614109 590373429 /nfs/dbraw/zinc/37/34/29/590373429.db2.gz VJHQQPCPPBSZNK-ILWJIGKKSA-N 1 2 212.293 0.690 20 0 BCADLO CCCn1cc(C[N@@H+]2CCc3nn[nH]c3C2)nn1 ZINC000877641906 590383494 /nfs/dbraw/zinc/38/34/94/590383494.db2.gz KPWKZMQETKJMRZ-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO CCCn1cc(C[N@H+]2CCc3nn[nH]c3C2)nn1 ZINC000877641906 590383496 /nfs/dbraw/zinc/38/34/96/590383496.db2.gz KPWKZMQETKJMRZ-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000877659660 590386153 /nfs/dbraw/zinc/38/61/53/590386153.db2.gz YZXFUWSNIWAHTD-QMMMGPOBSA-N 1 2 227.264 0.481 20 0 BCADLO CCCn1cc(C[NH2+]C2(C)COC2)nn1 ZINC000877691705 590392826 /nfs/dbraw/zinc/39/28/26/590392826.db2.gz SZGZTZMPNFMUGJ-UHFFFAOYSA-N 1 2 210.281 0.567 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC000877750247 590414158 /nfs/dbraw/zinc/41/41/58/590414158.db2.gz LKYVFRGFPWWPSU-NEPJUHHUSA-N 1 2 238.287 0.480 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC000877750247 590414164 /nfs/dbraw/zinc/41/41/64/590414164.db2.gz LKYVFRGFPWWPSU-NEPJUHHUSA-N 1 2 238.287 0.480 20 0 BCADLO CC[C@H](C)[C@@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877770169 590421301 /nfs/dbraw/zinc/42/13/01/590421301.db2.gz BETQAORGXRVHLH-VHSXEESVSA-N 1 2 245.319 0.267 20 0 BCADLO Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)nn1 ZINC000877779597 590423332 /nfs/dbraw/zinc/42/33/32/590423332.db2.gz CWJWPYSMQHVECN-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)nn1 ZINC000877779597 590423334 /nfs/dbraw/zinc/42/33/34/590423334.db2.gz CWJWPYSMQHVECN-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO O[C@@H](C[NH+]1CCOCC1)CC1(O)CCCC1 ZINC000877900004 590442539 /nfs/dbraw/zinc/44/25/39/590442539.db2.gz AHWNBEVFOSAFNH-LLVKDONJSA-N 1 2 229.320 0.375 20 0 BCADLO Cc1conc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000877941669 590452931 /nfs/dbraw/zinc/45/29/31/590452931.db2.gz KFRJMFVJZGNJEC-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1conc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000877941669 590452932 /nfs/dbraw/zinc/45/29/32/590452932.db2.gz KFRJMFVJZGNJEC-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1cc(C[N@@H+](C)CCc2nnnn2C)no1 ZINC000877958005 590457676 /nfs/dbraw/zinc/45/76/76/590457676.db2.gz QHYOGSPVWAYCQE-UHFFFAOYSA-N 1 2 236.279 0.181 20 0 BCADLO Cc1cc(C[N@H+](C)CCc2nnnn2C)no1 ZINC000877958005 590457678 /nfs/dbraw/zinc/45/76/78/590457678.db2.gz QHYOGSPVWAYCQE-UHFFFAOYSA-N 1 2 236.279 0.181 20 0 BCADLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(C)=O)C1 ZINC000877962906 590459823 /nfs/dbraw/zinc/45/98/23/590459823.db2.gz AYYLWBARAXGZGK-SNVBAGLBSA-N 1 2 228.292 0.786 20 0 BCADLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000877962906 590459825 /nfs/dbraw/zinc/45/98/25/590459825.db2.gz AYYLWBARAXGZGK-SNVBAGLBSA-N 1 2 228.292 0.786 20 0 BCADLO CC(C)[N@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000877964096 590459981 /nfs/dbraw/zinc/45/99/81/590459981.db2.gz DPGRJJJPBYVZGQ-UHFFFAOYSA-N 1 2 247.302 0.790 20 0 BCADLO CC(C)[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000877964096 590459984 /nfs/dbraw/zinc/45/99/84/590459984.db2.gz DPGRJJJPBYVZGQ-UHFFFAOYSA-N 1 2 247.302 0.790 20 0 BCADLO CCOC(=O)C[N@H+](C)CC[C@H](O)C(C)C ZINC000878019909 590473238 /nfs/dbraw/zinc/47/32/38/590473238.db2.gz CWKJLPNZBDOUDD-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC[C@H](O)C(C)C ZINC000878019909 590473240 /nfs/dbraw/zinc/47/32/40/590473240.db2.gz CWKJLPNZBDOUDD-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878039837 590478445 /nfs/dbraw/zinc/47/84/45/590478445.db2.gz DTEMYGFNOZDCCX-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878039837 590478447 /nfs/dbraw/zinc/47/84/47/590478447.db2.gz DTEMYGFNOZDCCX-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC[C@@H](O)C(C)C ZINC000878044280 590479659 /nfs/dbraw/zinc/47/96/59/590479659.db2.gz KXDNKNVWHZUMHQ-SECBINFHSA-N 1 2 217.309 0.935 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCc2ncnn21 ZINC000878046649 590480555 /nfs/dbraw/zinc/48/05/55/590480555.db2.gz HBQXHAMGNSXIAP-SECBINFHSA-N 1 2 238.291 0.260 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1CCc2ncnn21 ZINC000878046649 590480558 /nfs/dbraw/zinc/48/05/58/590480558.db2.gz HBQXHAMGNSXIAP-SECBINFHSA-N 1 2 238.291 0.260 20 0 BCADLO CC[N@H+](CCO)Cc1nccn1CC(F)F ZINC000878050469 590482763 /nfs/dbraw/zinc/48/27/63/590482763.db2.gz XAAWBCDPNCOPOI-UHFFFAOYSA-N 1 2 233.262 0.962 20 0 BCADLO CC[N@@H+](CCO)Cc1nccn1CC(F)F ZINC000878050469 590482765 /nfs/dbraw/zinc/48/27/65/590482765.db2.gz XAAWBCDPNCOPOI-UHFFFAOYSA-N 1 2 233.262 0.962 20 0 BCADLO CC(C)[C@@H](O)CC[NH+]1CCS(=O)CC1 ZINC000878092930 590491049 /nfs/dbraw/zinc/49/10/49/590491049.db2.gz BVAKLSUZCQRYME-JTQLQIEISA-N 1 2 219.350 0.458 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H](O)CC(C)(C)O ZINC000878126018 590500958 /nfs/dbraw/zinc/50/09/58/590500958.db2.gz TXPNPJBVZYHWRJ-JTQLQIEISA-N 1 2 228.292 0.628 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H](O)CC(C)(C)O ZINC000878126018 590500961 /nfs/dbraw/zinc/50/09/61/590500961.db2.gz TXPNPJBVZYHWRJ-JTQLQIEISA-N 1 2 228.292 0.628 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000878165649 590513124 /nfs/dbraw/zinc/51/31/24/590513124.db2.gz APXAFUDMNWCENX-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000878165649 590513126 /nfs/dbraw/zinc/51/31/26/590513126.db2.gz APXAFUDMNWCENX-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO O=C1OC[C@H]2C[N@H+](CCc3cnccn3)CCN12 ZINC000878193989 590521480 /nfs/dbraw/zinc/52/14/80/590521480.db2.gz DBEQLPNDAINVFE-LLVKDONJSA-N 1 2 248.286 0.156 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](CCc3cnccn3)CCN12 ZINC000878193989 590521483 /nfs/dbraw/zinc/52/14/83/590521483.db2.gz DBEQLPNDAINVFE-LLVKDONJSA-N 1 2 248.286 0.156 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COC1CC1 ZINC000878217044 590525076 /nfs/dbraw/zinc/52/50/76/590525076.db2.gz WKONYUURPXLCNB-SECBINFHSA-N 1 2 223.276 0.567 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878244466 590528388 /nfs/dbraw/zinc/52/83/88/590528388.db2.gz PUNGLIUVFZKAMW-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878244466 590528389 /nfs/dbraw/zinc/52/83/89/590528389.db2.gz PUNGLIUVFZKAMW-UWVGGRQHSA-N 1 2 247.335 0.392 20 0 BCADLO Cn1nnnc1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000878322074 590545287 /nfs/dbraw/zinc/54/52/87/590545287.db2.gz WIIZFQIHDOYTGV-ZETCQYMHSA-N 1 2 231.250 0.482 20 0 BCADLO Cn1nnnc1CC[N@H+]1CCC[C@H]1C(F)F ZINC000878322074 590545288 /nfs/dbraw/zinc/54/52/88/590545288.db2.gz WIIZFQIHDOYTGV-ZETCQYMHSA-N 1 2 231.250 0.482 20 0 BCADLO COC[C@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878333391 590548054 /nfs/dbraw/zinc/54/80/54/590548054.db2.gz SLAJNOSEJAVPBC-PWSUYJOCSA-N 1 2 247.335 0.561 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878333392 590548831 /nfs/dbraw/zinc/54/88/31/590548831.db2.gz SLAJNOSEJAVPBC-ZYHUDNBSSA-N 1 2 247.335 0.561 20 0 BCADLO COC(=O)CC[N@H+](CC(C)=O)CC(OC)OC ZINC000878392830 590558848 /nfs/dbraw/zinc/55/88/48/590558848.db2.gz ORTUTFGGAHPRIA-UHFFFAOYSA-N 1 2 247.291 0.059 20 0 BCADLO COC(=O)CC[N@@H+](CC(C)=O)CC(OC)OC ZINC000878392830 590558851 /nfs/dbraw/zinc/55/88/51/590558851.db2.gz ORTUTFGGAHPRIA-UHFFFAOYSA-N 1 2 247.291 0.059 20 0 BCADLO C=C/C=C\CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000878432955 590565866 /nfs/dbraw/zinc/56/58/66/590565866.db2.gz NUUPVWKHWQPWJK-ARJAWSKDSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C\CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000878432955 590565868 /nfs/dbraw/zinc/56/58/68/590565868.db2.gz NUUPVWKHWQPWJK-ARJAWSKDSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C\CC[N@@H+]1CCn2c(=O)[nH]nc2C1 ZINC000878432955 590565871 /nfs/dbraw/zinc/56/58/71/590565871.db2.gz NUUPVWKHWQPWJK-ARJAWSKDSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C\CC[N@H+]1CCn2c(=O)[nH]nc2C1 ZINC000878432955 590565873 /nfs/dbraw/zinc/56/58/73/590565873.db2.gz NUUPVWKHWQPWJK-ARJAWSKDSA-N 1 2 220.276 0.932 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC000878476266 590572701 /nfs/dbraw/zinc/57/27/01/590572701.db2.gz YEAVGRJGBVFFBL-WDEREUQCSA-N 1 2 229.320 0.935 20 0 BCADLO CC[C@@]1([NH2+]CC(=O)N=S(C)(C)=O)CCOC1 ZINC000878502656 590582026 /nfs/dbraw/zinc/58/20/26/590582026.db2.gz DUWIMWBXWAHZEZ-SNVBAGLBSA-N 1 2 248.348 0.399 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nocc2C)C[C@@H]1OC ZINC000878505985 590582230 /nfs/dbraw/zinc/58/22/30/590582230.db2.gz YMHPQUHUIMEVCW-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nocc2C)C[C@@H]1OC ZINC000878505985 590582232 /nfs/dbraw/zinc/58/22/32/590582232.db2.gz YMHPQUHUIMEVCW-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO CC(=O)CC[NH+]1CCN(CC(F)F)CC1 ZINC000127179148 590588616 /nfs/dbraw/zinc/58/86/16/590588616.db2.gz KPFOANBWSGVXCF-UHFFFAOYSA-N 1 2 220.263 0.848 20 0 BCADLO c1nnnn1CC[N@@H+]1Cc2cccnc2C1 ZINC000878548937 590590679 /nfs/dbraw/zinc/59/06/79/590590679.db2.gz YXYDDDKOMCOGIW-UHFFFAOYSA-N 1 2 216.248 0.084 20 0 BCADLO c1nnnn1CC[N@H+]1Cc2cccnc2C1 ZINC000878548937 590590681 /nfs/dbraw/zinc/59/06/81/590590681.db2.gz YXYDDDKOMCOGIW-UHFFFAOYSA-N 1 2 216.248 0.084 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3c(=O)n(C)ccn23)[C@H]1C ZINC000878652443 590602237 /nfs/dbraw/zinc/60/22/37/590602237.db2.gz PMKGLZZMOPLKSY-BDAKNGLRSA-N 1 2 247.302 0.268 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3c(=O)n(C)ccn23)[C@H]1C ZINC000878652443 590602238 /nfs/dbraw/zinc/60/22/38/590602238.db2.gz PMKGLZZMOPLKSY-BDAKNGLRSA-N 1 2 247.302 0.268 20 0 BCADLO CS(=O)(=O)CCCC[N@H+](C1CC1)C1COC1 ZINC000878657411 590604158 /nfs/dbraw/zinc/60/41/58/590604158.db2.gz DVEQSOOGTPCVML-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCCC[N@@H+](C1CC1)C1COC1 ZINC000878657411 590604159 /nfs/dbraw/zinc/60/41/59/590604159.db2.gz DVEQSOOGTPCVML-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000878661312 590604517 /nfs/dbraw/zinc/60/45/17/590604517.db2.gz BNUDDAKJQKHHAM-SNVBAGLBSA-N 1 2 228.292 0.738 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000878661312 590604519 /nfs/dbraw/zinc/60/45/19/590604519.db2.gz BNUDDAKJQKHHAM-SNVBAGLBSA-N 1 2 228.292 0.738 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677618 590607948 /nfs/dbraw/zinc/60/79/48/590607948.db2.gz JWEYWJBAPPVJSU-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677618 590607949 /nfs/dbraw/zinc/60/79/49/590607949.db2.gz JWEYWJBAPPVJSU-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@H+](CCCOC(F)(F)F)CC(=O)N1 ZINC000878677317 590608010 /nfs/dbraw/zinc/60/80/10/590608010.db2.gz HBWKVSUHNUKYOA-ZETCQYMHSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@H]1C[N@@H+](CCCOC(F)(F)F)CC(=O)N1 ZINC000878677317 590608012 /nfs/dbraw/zinc/60/80/12/590608012.db2.gz HBWKVSUHNUKYOA-ZETCQYMHSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679449 590608801 /nfs/dbraw/zinc/60/88/01/590608801.db2.gz CWFBTDFYCKPXJQ-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679449 590608802 /nfs/dbraw/zinc/60/88/02/590608802.db2.gz CWFBTDFYCKPXJQ-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO CON1CC[NH+](CCc2cnccn2)CC1 ZINC000878686072 590609100 /nfs/dbraw/zinc/60/91/00/590609100.db2.gz AJVLOJCIGSIWEV-UHFFFAOYSA-N 1 2 222.292 0.198 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COC1CC1 ZINC000878721579 590615791 /nfs/dbraw/zinc/61/57/91/590615791.db2.gz HXDWDZMGPYSXFL-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO CC[N@H+]1[C@H](C)CN(CCS(C)(=O)=O)C[C@@H]1C ZINC000878838120 590630549 /nfs/dbraw/zinc/63/05/49/590630549.db2.gz JWBQLOLBMJUCME-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO CC[N@@H+]1[C@H](C)CN(CCS(C)(=O)=O)C[C@@H]1C ZINC000878838120 590630551 /nfs/dbraw/zinc/63/05/51/590630551.db2.gz JWBQLOLBMJUCME-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1[C@H](C)C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000878838120 590630556 /nfs/dbraw/zinc/63/05/56/590630556.db2.gz JWBQLOLBMJUCME-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1[C@H](C)C[N@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000878838120 590630559 /nfs/dbraw/zinc/63/05/59/590630559.db2.gz JWBQLOLBMJUCME-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878878152 590638472 /nfs/dbraw/zinc/63/84/72/590638472.db2.gz JQMPYJIFMIISNE-SNVBAGLBSA-N 1 2 243.332 0.591 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878878152 590638474 /nfs/dbraw/zinc/63/84/74/590638474.db2.gz JQMPYJIFMIISNE-SNVBAGLBSA-N 1 2 243.332 0.591 20 0 BCADLO C[N@@H+](CCn1cnnn1)Cc1ccns1 ZINC000878898839 590642710 /nfs/dbraw/zinc/64/27/10/590642710.db2.gz AMSOFDZCEWEIDL-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO C[N@H+](CCn1cnnn1)Cc1ccns1 ZINC000878898839 590642705 /nfs/dbraw/zinc/64/27/05/590642705.db2.gz AMSOFDZCEWEIDL-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO C[N@@H+](Cc1ccns1)CC1OCCO1 ZINC000878900013 590643917 /nfs/dbraw/zinc/64/39/17/590643917.db2.gz RWWQVJQWMLVZOU-UHFFFAOYSA-N 1 2 214.290 0.948 20 0 BCADLO C[N@H+](Cc1ccns1)CC1OCCO1 ZINC000878900013 590643921 /nfs/dbraw/zinc/64/39/21/590643921.db2.gz RWWQVJQWMLVZOU-UHFFFAOYSA-N 1 2 214.290 0.948 20 0 BCADLO CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)CCO1 ZINC000878965998 590657165 /nfs/dbraw/zinc/65/71/65/590657165.db2.gz BWPNGKFWMYLZIV-ZJUUUORDSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)CCO1 ZINC000878965998 590657169 /nfs/dbraw/zinc/65/71/69/590657169.db2.gz BWPNGKFWMYLZIV-ZJUUUORDSA-N 1 2 229.276 0.244 20 0 BCADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000878950308 590658343 /nfs/dbraw/zinc/65/83/43/590658343.db2.gz QICRBXTUSWKVRI-NSHDSACASA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000878950308 590658346 /nfs/dbraw/zinc/65/83/46/590658346.db2.gz QICRBXTUSWKVRI-NSHDSACASA-N 1 2 226.324 0.654 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CCO1 ZINC000878969878 590663114 /nfs/dbraw/zinc/66/31/14/590663114.db2.gz FRONLCLOWRYUNM-UWVGGRQHSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CCO1 ZINC000878969878 590663115 /nfs/dbraw/zinc/66/31/15/590663115.db2.gz FRONLCLOWRYUNM-UWVGGRQHSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@H]1C[N@H+](CCC(=O)N2CCCC2)CCO1 ZINC000878970471 590664857 /nfs/dbraw/zinc/66/48/57/590664857.db2.gz QYPVZIZYCVYDTE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO CO[C@H]1C[N@@H+](CCC(=O)N2CCCC2)CCO1 ZINC000878970471 590664860 /nfs/dbraw/zinc/66/48/60/590664860.db2.gz QYPVZIZYCVYDTE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO c1cnc([C@H]2CCC[N@H+]2CC2OCCO2)nc1 ZINC000878978196 590666058 /nfs/dbraw/zinc/66/60/58/590666058.db2.gz OWCVQTRKRNVBBW-SNVBAGLBSA-N 1 2 235.287 0.986 20 0 BCADLO c1cnc([C@H]2CCC[N@@H+]2CC2OCCO2)nc1 ZINC000878978196 590666062 /nfs/dbraw/zinc/66/60/62/590666062.db2.gz OWCVQTRKRNVBBW-SNVBAGLBSA-N 1 2 235.287 0.986 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878975548 590666458 /nfs/dbraw/zinc/66/64/58/590666458.db2.gz FFIZYYUIUMWUAO-QFYYESIMSA-N 1 2 239.344 0.992 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878975548 590666461 /nfs/dbraw/zinc/66/64/61/590666461.db2.gz FFIZYYUIUMWUAO-QFYYESIMSA-N 1 2 239.344 0.992 20 0 BCADLO c1cnc([C@@H]2CCC[N@H+]2CC2OCCO2)nc1 ZINC000878978195 590666508 /nfs/dbraw/zinc/66/65/08/590666508.db2.gz OWCVQTRKRNVBBW-JTQLQIEISA-N 1 2 235.287 0.986 20 0 BCADLO c1cnc([C@@H]2CCC[N@@H+]2CC2OCCO2)nc1 ZINC000878978195 590666510 /nfs/dbraw/zinc/66/65/10/590666510.db2.gz OWCVQTRKRNVBBW-JTQLQIEISA-N 1 2 235.287 0.986 20 0 BCADLO Oc1ccc2c(c1)C[N@@H+](CCn1cnnn1)C2 ZINC000879032879 590681950 /nfs/dbraw/zinc/68/19/50/590681950.db2.gz DWVHKPMWJKSVMR-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO Oc1ccc2c(c1)C[N@H+](CCn1cnnn1)C2 ZINC000879032879 590681955 /nfs/dbraw/zinc/68/19/55/590681955.db2.gz DWVHKPMWJKSVMR-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO CC(=O)Nc1cccc2c1C[N@@H+](CC(N)=O)CC2 ZINC000879234828 590718798 /nfs/dbraw/zinc/71/87/98/590718798.db2.gz SICYRYZDMWPZPB-UHFFFAOYSA-N 1 2 247.298 0.488 20 0 BCADLO CC(=O)Nc1cccc2c1C[N@H+](CC(N)=O)CC2 ZINC000879234828 590718797 /nfs/dbraw/zinc/71/87/97/590718797.db2.gz SICYRYZDMWPZPB-UHFFFAOYSA-N 1 2 247.298 0.488 20 0 BCADLO C/C=C/C=C\C(=O)OCC[NH+]1CCOCC1 ZINC000879262555 590724996 /nfs/dbraw/zinc/72/49/96/590724996.db2.gz FTPLQMYMLQDCAF-IAROGAJJSA-N 1 2 225.288 0.994 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ncnn2C)C1 ZINC000879323518 590743725 /nfs/dbraw/zinc/74/37/25/590743725.db2.gz QLQRNRUPLCSJPB-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ncnn2C)C1 ZINC000879323518 590743728 /nfs/dbraw/zinc/74/37/28/590743728.db2.gz QLQRNRUPLCSJPB-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC(=O)[C@]1(C)C[N@H+](CCC(C)=O)CCO1 ZINC000879427586 590766156 /nfs/dbraw/zinc/76/61/56/590766156.db2.gz HFBLRYJMTZJAAS-LBPRGKRZSA-N 1 2 243.303 0.620 20 0 BCADLO CCOC(=O)[C@]1(C)C[N@@H+](CCC(C)=O)CCO1 ZINC000879427586 590766159 /nfs/dbraw/zinc/76/61/59/590766159.db2.gz HFBLRYJMTZJAAS-LBPRGKRZSA-N 1 2 243.303 0.620 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cnnn1C ZINC000879476847 590777547 /nfs/dbraw/zinc/77/75/47/590777547.db2.gz SLJNONZRVQWMJN-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO COC(=O)C1=NO[C@]2(CC[N@H+](CCF)C2)C1 ZINC000879483761 590778991 /nfs/dbraw/zinc/77/89/91/590778991.db2.gz MEHSVWKXCDPLGW-SNVBAGLBSA-N 1 2 230.239 0.350 20 0 BCADLO COC(=O)C1=NO[C@]2(CC[N@@H+](CCF)C2)C1 ZINC000879483761 590778995 /nfs/dbraw/zinc/77/89/95/590778995.db2.gz MEHSVWKXCDPLGW-SNVBAGLBSA-N 1 2 230.239 0.350 20 0 BCADLO COC(=O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486309 590780459 /nfs/dbraw/zinc/78/04/59/590780459.db2.gz LLHWNPHXGGGRDY-LLVKDONJSA-N 1 2 240.303 0.135 20 0 BCADLO COC(=O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486309 590780464 /nfs/dbraw/zinc/78/04/64/590780464.db2.gz LLHWNPHXGGGRDY-LLVKDONJSA-N 1 2 240.303 0.135 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000879552694 590799776 /nfs/dbraw/zinc/79/97/76/590799776.db2.gz JPIBJVYMSKBFTK-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000879612378 590830797 /nfs/dbraw/zinc/83/07/97/590830797.db2.gz YMXZGNFXGGJUOD-SFYZADRCSA-N 1 2 248.735 0.724 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000879612378 590830800 /nfs/dbraw/zinc/83/08/00/590830800.db2.gz YMXZGNFXGGJUOD-SFYZADRCSA-N 1 2 248.735 0.724 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879618566 590832631 /nfs/dbraw/zinc/83/26/31/590832631.db2.gz XUJKJLYDODPLJW-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879618566 590832633 /nfs/dbraw/zinc/83/26/33/590832633.db2.gz XUJKJLYDODPLJW-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cn1cnnc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622987 590836660 /nfs/dbraw/zinc/83/66/60/590836660.db2.gz UCUIKSDLHRXHEC-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cnnc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622987 590836662 /nfs/dbraw/zinc/83/66/62/590836662.db2.gz UCUIKSDLHRXHEC-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO CCC(O)(CC)C(C)(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000879697613 590851219 /nfs/dbraw/zinc/85/12/19/590851219.db2.gz GJWGXMISHPOQPB-UHFFFAOYSA-N 1 2 242.323 0.930 20 0 BCADLO CCC(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000879743781 590859019 /nfs/dbraw/zinc/85/90/19/590859019.db2.gz HTNUQWCAUYEMHT-GHMZBOCLSA-N 1 2 243.303 0.354 20 0 BCADLO CCC(=O)CCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000879743781 590859023 /nfs/dbraw/zinc/85/90/23/590859023.db2.gz HTNUQWCAUYEMHT-GHMZBOCLSA-N 1 2 243.303 0.354 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000127988179 590864033 /nfs/dbraw/zinc/86/40/33/590864033.db2.gz FYRLVBJUQMJNCS-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000127988179 590864037 /nfs/dbraw/zinc/86/40/37/590864037.db2.gz FYRLVBJUQMJNCS-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCO ZINC000879979436 590902585 /nfs/dbraw/zinc/90/25/85/590902585.db2.gz CVFXTUPAJSWAJE-JTQLQIEISA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](C)O ZINC000879981387 590903490 /nfs/dbraw/zinc/90/34/90/590903490.db2.gz PRYVRYNIRIIHNM-PSASIEDQSA-N 1 2 215.293 0.689 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](C)CO ZINC000879982917 590903805 /nfs/dbraw/zinc/90/38/05/590903805.db2.gz PIOGTNMBLCTUFS-GXSJLCMTSA-N 1 2 229.320 0.936 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CC[S@@](C)=O ZINC000879981887 590904084 /nfs/dbraw/zinc/90/40/84/590904084.db2.gz WINZZSJNFWMWCS-MGPLVRAMSA-N 1 2 247.360 0.686 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](C)O ZINC000879981433 590904191 /nfs/dbraw/zinc/90/41/91/590904191.db2.gz PRYVRYNIRIIHNM-WCBMZHEXSA-N 1 2 215.293 0.689 20 0 BCADLO CCOCC[N@H+](C)CCS(=O)(=O)CC ZINC000128205661 590930200 /nfs/dbraw/zinc/93/02/00/590930200.db2.gz DVENARFNTHFGMP-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO CCOCC[N@@H+](C)CCS(=O)(=O)CC ZINC000128205661 590930203 /nfs/dbraw/zinc/93/02/03/590930203.db2.gz DVENARFNTHFGMP-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCS(C)(=O)=O ZINC000880130270 590931466 /nfs/dbraw/zinc/93/14/66/590931466.db2.gz NYBSKJDLYHOFCH-QWRGUYRKSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCS(C)(=O)=O ZINC000880130270 590931468 /nfs/dbraw/zinc/93/14/68/590931468.db2.gz NYBSKJDLYHOFCH-QWRGUYRKSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136928 590940632 /nfs/dbraw/zinc/94/06/32/590940632.db2.gz VCNORUSEZFBNPL-DTWKUNHWSA-N 1 2 237.307 0.179 20 0 BCADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136928 590940634 /nfs/dbraw/zinc/94/06/34/590940634.db2.gz VCNORUSEZFBNPL-DTWKUNHWSA-N 1 2 237.307 0.179 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CCC(F)CC1 ZINC000880242343 590975844 /nfs/dbraw/zinc/97/58/44/590975844.db2.gz VMDNXNKEZJVURS-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)CC[NH+]1CCC(F)CC1 ZINC000880242947 590976246 /nfs/dbraw/zinc/97/62/46/590976246.db2.gz RATOLWWUZMKNDS-UHFFFAOYSA-N 1 2 209.286 0.465 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](C)OC)C1CCOCC1 ZINC000880339130 591008202 /nfs/dbraw/zinc/00/82/02/591008202.db2.gz JCBPNZFDVNXBQA-ONGXEEELSA-N 1 2 245.319 0.579 20 0 BCADLO CCN(C)C(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880365246 591010905 /nfs/dbraw/zinc/01/09/05/591010905.db2.gz HEUMLJPPBRLQEB-UHFFFAOYSA-N 1 2 248.330 0.924 20 0 BCADLO CCNC(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880364260 591011158 /nfs/dbraw/zinc/01/11/58/591011158.db2.gz VVIFPIIZFNODRB-UHFFFAOYSA-N 1 2 234.303 0.582 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cnon1 ZINC000880435045 591037087 /nfs/dbraw/zinc/03/70/87/591037087.db2.gz IGZGCJSJSHESLX-ZJUUUORDSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cnon1 ZINC000880435045 591037092 /nfs/dbraw/zinc/03/70/92/591037092.db2.gz IGZGCJSJSHESLX-ZJUUUORDSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cnsn1 ZINC000880435604 591037372 /nfs/dbraw/zinc/03/73/72/591037372.db2.gz NIPKJCXMIQAVDD-ZJUUUORDSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cnsn1 ZINC000880435604 591037374 /nfs/dbraw/zinc/03/73/74/591037374.db2.gz NIPKJCXMIQAVDD-ZJUUUORDSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1nnc(C)[nH]1 ZINC000880437562 591040240 /nfs/dbraw/zinc/04/02/40/591040240.db2.gz MZMBKXHNXVOMSH-VHSXEESVSA-N 1 2 240.307 0.349 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000880437562 591040244 /nfs/dbraw/zinc/04/02/44/591040244.db2.gz MZMBKXHNXVOMSH-VHSXEESVSA-N 1 2 240.307 0.349 20 0 BCADLO CCc1noc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880483522 591056562 /nfs/dbraw/zinc/05/65/62/591056562.db2.gz HHCAIKNDPMRHCD-QMMMGPOBSA-N 1 2 209.249 0.365 20 0 BCADLO CCc1noc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880483522 591056567 /nfs/dbraw/zinc/05/65/67/591056567.db2.gz HHCAIKNDPMRHCD-QMMMGPOBSA-N 1 2 209.249 0.365 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880488456 591063848 /nfs/dbraw/zinc/06/38/48/591063848.db2.gz FVZIJFKBFYPAMF-SNVBAGLBSA-N 1 2 213.277 0.418 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC=C[C@@H]1CO ZINC000880485311 591058558 /nfs/dbraw/zinc/05/85/58/591058558.db2.gz BTVJOXMUXPOKLX-GHMZBOCLSA-N 1 2 227.304 0.951 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC=C[C@@H]1CO ZINC000880485311 591058563 /nfs/dbraw/zinc/05/85/63/591058563.db2.gz BTVJOXMUXPOKLX-GHMZBOCLSA-N 1 2 227.304 0.951 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880488456 591063841 /nfs/dbraw/zinc/06/38/41/591063841.db2.gz FVZIJFKBFYPAMF-SNVBAGLBSA-N 1 2 213.277 0.418 20 0 BCADLO COC(=O)c1cccc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880491430 591068499 /nfs/dbraw/zinc/06/84/99/591068499.db2.gz JGCXRXHHFNLZAX-NSHDSACASA-N 1 2 248.282 0.601 20 0 BCADLO COC(=O)c1cccc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880491430 591068503 /nfs/dbraw/zinc/06/85/03/591068503.db2.gz JGCXRXHHFNLZAX-NSHDSACASA-N 1 2 248.282 0.601 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000880494076 591072107 /nfs/dbraw/zinc/07/21/07/591072107.db2.gz JDOKLZFIIIGVNH-GFCCVEGCSA-N 1 2 219.288 0.562 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000880494076 591072111 /nfs/dbraw/zinc/07/21/11/591072111.db2.gz JDOKLZFIIIGVNH-GFCCVEGCSA-N 1 2 219.288 0.562 20 0 BCADLO CC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880592855 591103919 /nfs/dbraw/zinc/10/39/19/591103919.db2.gz CYROOQLCJBLHRG-UHFFFAOYSA-N 1 2 205.261 0.814 20 0 BCADLO CC(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880592855 591103921 /nfs/dbraw/zinc/10/39/21/591103921.db2.gz CYROOQLCJBLHRG-UHFFFAOYSA-N 1 2 205.261 0.814 20 0 BCADLO COCCOCC[N@H+]1CCc2ncncc2C1 ZINC000880595002 591104383 /nfs/dbraw/zinc/10/43/83/591104383.db2.gz JRIRMUAQEPUMHF-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO COCCOCC[N@@H+]1CCc2ncncc2C1 ZINC000880595002 591104381 /nfs/dbraw/zinc/10/43/81/591104381.db2.gz JRIRMUAQEPUMHF-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCc2ncncc2C1 ZINC000880595764 591104390 /nfs/dbraw/zinc/10/43/90/591104390.db2.gz XEFJFPAVXSMFTF-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCc2ncncc2C1 ZINC000880595764 591104393 /nfs/dbraw/zinc/10/43/93/591104393.db2.gz XEFJFPAVXSMFTF-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO CCn1ncc(C[N@@H+]2CCc3ncncc3C2)n1 ZINC000880597223 591106581 /nfs/dbraw/zinc/10/65/81/591106581.db2.gz AFHONTTXIFFGOL-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCn1ncc(C[N@H+]2CCc3ncncc3C2)n1 ZINC000880597223 591106583 /nfs/dbraw/zinc/10/65/83/591106583.db2.gz AFHONTTXIFFGOL-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598913 591107566 /nfs/dbraw/zinc/10/75/66/591107566.db2.gz CIFKPYZUNRTRSL-UHFFFAOYSA-N 1 2 230.275 0.461 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598913 591107571 /nfs/dbraw/zinc/10/75/71/591107571.db2.gz CIFKPYZUNRTRSL-UHFFFAOYSA-N 1 2 230.275 0.461 20 0 BCADLO CON(C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000880646238 591116651 /nfs/dbraw/zinc/11/66/51/591116651.db2.gz UQJHGHBNEQNJQU-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000880727839 591128874 /nfs/dbraw/zinc/12/88/74/591128874.db2.gz WFUDKAKEKDEGOB-MRVPVSSYSA-N 1 2 237.328 0.677 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1CSC1 ZINC000880735847 591134523 /nfs/dbraw/zinc/13/45/23/591134523.db2.gz WPDKKGOTYHQPED-UHFFFAOYSA-N 1 2 225.317 0.895 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)N3CCCC3)cc2C1 ZINC000880810510 591143557 /nfs/dbraw/zinc/14/35/57/591143557.db2.gz RVUPKCBZAXGYPI-UHFFFAOYSA-N 1 2 249.318 0.956 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)N3CCCC3)cc2C1 ZINC000880810510 591143560 /nfs/dbraw/zinc/14/35/60/591143560.db2.gz RVUPKCBZAXGYPI-UHFFFAOYSA-N 1 2 249.318 0.956 20 0 BCADLO CC(=O)NCCNc1nc[nH+]c(C)c1C ZINC000881750527 591269178 /nfs/dbraw/zinc/26/91/78/591269178.db2.gz GKNKDMHOLKBPSJ-UHFFFAOYSA-N 1 2 208.265 0.641 20 0 BCADLO CC[S@@](=O)CCNc1cc(CO)cc[nH+]1 ZINC000881962592 591284121 /nfs/dbraw/zinc/28/41/21/591284121.db2.gz GTFBAFFPOSLMOH-OAHLLOKOSA-N 1 2 228.317 0.754 20 0 BCADLO CC[S@](=O)CCNc1cc(CO)cc[nH+]1 ZINC000881962591 591284140 /nfs/dbraw/zinc/28/41/40/591284140.db2.gz GTFBAFFPOSLMOH-HNNXBMFYSA-N 1 2 228.317 0.754 20 0 BCADLO C[S@@](=O)CCCNc1cc(CO)cc[nH+]1 ZINC000881962385 591284292 /nfs/dbraw/zinc/28/42/92/591284292.db2.gz AGZBSBZHXLDHNQ-OAHLLOKOSA-N 1 2 228.317 0.754 20 0 BCADLO Cc1ncnc(NC[C@H]2C[NH+]3CCN2CC3)c1C ZINC000882122656 591301728 /nfs/dbraw/zinc/30/17/28/591301728.db2.gz LFGKFIUNISKFTH-LBPRGKRZSA-N 1 2 247.346 0.505 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@H](CC(N)=O)C2)c1C ZINC000882379302 591340413 /nfs/dbraw/zinc/34/04/13/591340413.db2.gz VTJZWRBITATVON-SNVBAGLBSA-N 1 2 234.303 0.795 20 0 BCADLO CCn1ncc(CNc2cc(CO)cc[nH+]2)n1 ZINC000882649294 591406648 /nfs/dbraw/zinc/40/66/48/591406648.db2.gz ZTRNZMKWFREXHG-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CON(C)C(=O)[C@@H](C)Nc1cc[nH+]cc1F ZINC000882669392 591408692 /nfs/dbraw/zinc/40/86/92/591408692.db2.gz GBHZVUXZQBPSLA-SSDOTTSWSA-N 1 2 227.239 0.463 20 0 BCADLO O=C1OC[C@H]2CN(c3cc[nH+]cc3F)C[C@@H]12 ZINC000882671523 591409009 /nfs/dbraw/zinc/40/90/09/591409009.db2.gz YMPGSECOJDALGV-HTQZYQBOSA-N 1 2 222.219 0.830 20 0 BCADLO Cc1nonc1CNc1cc(CO)cc[nH+]1 ZINC000882720314 591420692 /nfs/dbraw/zinc/42/06/92/591420692.db2.gz RBXQYVMLDAPTAJ-UHFFFAOYSA-N 1 2 220.232 0.877 20 0 BCADLO CCNC(=O)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213253010 591456722 /nfs/dbraw/zinc/45/67/22/591456722.db2.gz CQFASNBIPGNLAW-SECBINFHSA-N 1 2 237.303 0.707 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213273775 591459260 /nfs/dbraw/zinc/45/92/60/591459260.db2.gz BCQGAGWPKILESM-GXSJLCMTSA-N 1 2 249.314 0.850 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213270530 591459377 /nfs/dbraw/zinc/45/93/77/591459377.db2.gz BCQGAGWPKILESM-KOLCDFICSA-N 1 2 249.314 0.850 20 0 BCADLO Cn1ncnc1C1(O)CN(c2cc[nH+]cc2F)C1 ZINC000882886884 591464420 /nfs/dbraw/zinc/46/44/20/591464420.db2.gz QKKRSQSGPOEMQU-UHFFFAOYSA-N 1 2 249.249 0.057 20 0 BCADLO NC(CO)=[NH+]OCCC[C@H]1CCOC1 ZINC000883012343 591505733 /nfs/dbraw/zinc/50/57/33/591505733.db2.gz CDUJPZMXWCJKGU-QMMMGPOBSA-N 1 2 202.254 0.294 20 0 BCADLO COc1cc(NC(=O)CCc2c[nH+]c[nH]2)n(C)n1 ZINC000882943085 591481156 /nfs/dbraw/zinc/48/11/56/591481156.db2.gz DNCWXXWHGMPABO-UHFFFAOYSA-N 1 2 249.274 0.723 20 0 BCADLO COc1cc(NC(=O)CCc2c[nH]c[nH+]2)n(C)n1 ZINC000882943085 591481157 /nfs/dbraw/zinc/48/11/57/591481157.db2.gz DNCWXXWHGMPABO-UHFFFAOYSA-N 1 2 249.274 0.723 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011044 591511675 /nfs/dbraw/zinc/51/16/75/591511675.db2.gz IPZQHDYWPCCATG-HTQZYQBOSA-N 1 2 231.296 0.170 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC=C[C@H]1CO ZINC000882977068 591490166 /nfs/dbraw/zinc/49/01/66/591490166.db2.gz WNEHSHNNPHKRGZ-QMMMGPOBSA-N 1 2 231.259 0.100 20 0 BCADLO CCNS(=O)(=O)CC[NH2+]Cc1cc(C)on1 ZINC000882990272 591497646 /nfs/dbraw/zinc/49/76/46/591497646.db2.gz DOQIPPAWQAPGGY-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO CC1CC[NH+](Cn2ncn(C)c2=O)CC1 ZINC000130710528 591503827 /nfs/dbraw/zinc/50/38/27/591503827.db2.gz WOIFZWNNWRZEOT-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO NC(CO)=[NH+]OCCC[C@@H]1CCOC1 ZINC000883012342 591506410 /nfs/dbraw/zinc/50/64/10/591506410.db2.gz CDUJPZMXWCJKGU-MRVPVSSYSA-N 1 2 202.254 0.294 20 0 BCADLO NC(CO)=[NH+]OCC(=O)N1CCc2ccccc21 ZINC000883009871 591509657 /nfs/dbraw/zinc/50/96/57/591509657.db2.gz WMZRJYGXCOLHMO-UHFFFAOYSA-N 1 2 249.270 0.066 20 0 BCADLO C[C@H](O[NH+]=C(N)CO)C(=O)N1CCCCCC1 ZINC000883010262 591510910 /nfs/dbraw/zinc/51/09/10/591510910.db2.gz JLFKXKMAJBRBJC-VIFPVBQESA-N 1 2 243.307 0.268 20 0 BCADLO C[C@H](O[NH+]=C(N)CO)C(=O)Nc1ccccc1 ZINC000883010471 591511742 /nfs/dbraw/zinc/51/17/42/591511742.db2.gz QNTJEGPYVCZONQ-QMMMGPOBSA-N 1 2 237.259 0.504 20 0 BCADLO CCOc1ccc(CO[NH+]=C(N)CO)nc1 ZINC000883011996 591512853 /nfs/dbraw/zinc/51/28/53/591512853.db2.gz PLPBFZPKFHLHNZ-UHFFFAOYSA-N 1 2 225.248 0.471 20 0 BCADLO COc1cncc(CO[NH+]=C(N)CO)c1 ZINC000883012580 591512915 /nfs/dbraw/zinc/51/29/15/591512915.db2.gz KYGQLKCKZGNPTI-UHFFFAOYSA-N 1 2 211.221 0.081 20 0 BCADLO NC(CO)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000883011874 591513250 /nfs/dbraw/zinc/51/32/50/591513250.db2.gz LWWAIYNSGQSFBP-UHFFFAOYSA-N 1 2 238.291 0.989 20 0 BCADLO OCc1cc[nH+]c(N2CCc3ncncc3C2)c1 ZINC000883017493 591515435 /nfs/dbraw/zinc/51/54/35/591515435.db2.gz OBYJIKRLLFQZJJ-UHFFFAOYSA-N 1 2 242.282 0.927 20 0 BCADLO Cc1ccccc1C(N)=[NH+]O[C@H]1CCNC1=O ZINC000883059039 591531833 /nfs/dbraw/zinc/53/18/33/591531833.db2.gz KLCSNADALOCCEV-JTQLQIEISA-N 1 2 233.271 0.730 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3c(n2)CCC3)n1 ZINC000883120167 591542306 /nfs/dbraw/zinc/54/23/06/591542306.db2.gz UYAPATZXBHRPJK-UHFFFAOYSA-N 1 2 243.314 0.989 20 0 BCADLO CCCC[N@H+](CC)Cn1ncn(C)c1=O ZINC000131044982 591545851 /nfs/dbraw/zinc/54/58/51/591545851.db2.gz OBWSIWFLBPAEOJ-UHFFFAOYSA-N 1 2 212.297 0.661 20 0 BCADLO CCCC[N@@H+](CC)Cn1ncn(C)c1=O ZINC000131044982 591545855 /nfs/dbraw/zinc/54/58/55/591545855.db2.gz OBWSIWFLBPAEOJ-UHFFFAOYSA-N 1 2 212.297 0.661 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CC(OC)OC ZINC000131094561 591552672 /nfs/dbraw/zinc/55/26/72/591552672.db2.gz JTRVAPUDLCTIPZ-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CC(OC)OC ZINC000131094561 591552674 /nfs/dbraw/zinc/55/26/74/591552674.db2.gz JTRVAPUDLCTIPZ-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO CC[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000131130391 591558558 /nfs/dbraw/zinc/55/85/58/591558558.db2.gz MVBZWONEYAZTQU-JTQLQIEISA-N 1 2 224.308 0.661 20 0 BCADLO CC[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000131130391 591558560 /nfs/dbraw/zinc/55/85/60/591558560.db2.gz MVBZWONEYAZTQU-JTQLQIEISA-N 1 2 224.308 0.661 20 0 BCADLO C[N@H+](CC1CC1)Cn1nc2cnccn2c1=O ZINC000131329004 591596558 /nfs/dbraw/zinc/59/65/58/591596558.db2.gz ANKPJJLWXPEXPT-UHFFFAOYSA-N 1 2 233.275 0.190 20 0 BCADLO C[N@@H+](CC1CC1)Cn1nc2cnccn2c1=O ZINC000131329004 591596561 /nfs/dbraw/zinc/59/65/61/591596561.db2.gz ANKPJJLWXPEXPT-UHFFFAOYSA-N 1 2 233.275 0.190 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000889333443 591772579 /nfs/dbraw/zinc/77/25/79/591772579.db2.gz BQUJJBKBGRXMRA-MNOVXSKESA-N 1 2 237.303 0.896 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000889333442 591772691 /nfs/dbraw/zinc/77/26/91/591772691.db2.gz BQUJJBKBGRXMRA-GHMZBOCLSA-N 1 2 237.303 0.896 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1[nH+]ccn1C ZINC000883959926 591783348 /nfs/dbraw/zinc/78/33/48/591783348.db2.gz ALGKNPSRKROFGB-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cn1nc2cnccn2c1=O ZINC000133327166 591787793 /nfs/dbraw/zinc/78/77/93/591787793.db2.gz HHLJQLFFGDYXPQ-VIFPVBQESA-N 1 2 233.275 0.333 20 0 BCADLO C[C@H]1CCC[N@H+]1Cn1nc2cnccn2c1=O ZINC000133327166 591787796 /nfs/dbraw/zinc/78/77/96/591787796.db2.gz HHLJQLFFGDYXPQ-VIFPVBQESA-N 1 2 233.275 0.333 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CCCO2)CCO1 ZINC000800108894 591823952 /nfs/dbraw/zinc/82/39/52/591823952.db2.gz HNGUIVMIQCFACU-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CCCO2)CCO1 ZINC000800108894 591823955 /nfs/dbraw/zinc/82/39/55/591823955.db2.gz HNGUIVMIQCFACU-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CCOCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800160238 591829682 /nfs/dbraw/zinc/82/96/82/591829682.db2.gz MRRZDCGAKHAQEV-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800160238 591829685 /nfs/dbraw/zinc/82/96/85/591829685.db2.gz MRRZDCGAKHAQEV-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@H](O)C2CC2)CCO1 ZINC000800163834 591830526 /nfs/dbraw/zinc/83/05/26/591830526.db2.gz AUCIOXDOUVHHDJ-GXSJLCMTSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H](O)C2CC2)CCO1 ZINC000800163834 591830529 /nfs/dbraw/zinc/83/05/29/591830529.db2.gz AUCIOXDOUVHHDJ-GXSJLCMTSA-N 1 2 243.303 0.021 20 0 BCADLO CCc1nc(N[C@@H](CO)CCOC)cc[nH+]1 ZINC000884495983 591956723 /nfs/dbraw/zinc/95/67/23/591956723.db2.gz IWKBWDJENGAPGI-SECBINFHSA-N 1 2 225.292 0.848 20 0 BCADLO CCc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)cc[nH+]1 ZINC000884513471 591961846 /nfs/dbraw/zinc/96/18/46/591961846.db2.gz JQTUMAJTGLBBKK-MYJAWHEDSA-N 1 2 219.288 0.714 20 0 BCADLO CCc1nc(N2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000884522455 591965410 /nfs/dbraw/zinc/96/54/10/591965410.db2.gz YWJJMCJFXDSIJJ-MRVPVSSYSA-N 1 2 220.276 0.493 20 0 BCADLO CCc1nc(N2CC[C@H](C(=O)NC)C2)cc[nH+]1 ZINC000884533998 591969813 /nfs/dbraw/zinc/96/98/13/591969813.db2.gz VYJRDIMJSOQBIB-VIFPVBQESA-N 1 2 234.303 0.611 20 0 BCADLO CCc1nc(NCC(=O)N(C)OC)cc[nH+]1 ZINC000884533758 591969817 /nfs/dbraw/zinc/96/98/17/591969817.db2.gz QKOKRXIVNPFFAV-UHFFFAOYSA-N 1 2 224.264 0.471 20 0 BCADLO CC(C)c1nc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884620552 591994938 /nfs/dbraw/zinc/99/49/38/591994938.db2.gz CUZANIYQANPRKQ-OWUUHHOZSA-N 1 2 237.303 0.896 20 0 BCADLO Cc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000884620778 591995131 /nfs/dbraw/zinc/99/51/31/591995131.db2.gz LOISDKUSTNYHSC-PSVAKVPMSA-N 1 2 209.249 0.081 20 0 BCADLO CC(C)c1nc(N[C@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884622869 591995579 /nfs/dbraw/zinc/99/55/79/591995579.db2.gz CUZANIYQANPRKQ-ILWJIGKKSA-N 1 2 237.303 0.896 20 0 BCADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884623823 591996390 /nfs/dbraw/zinc/99/63/90/591996390.db2.gz PRAJQQAESMIGBV-AYMMMOKOSA-N 1 2 224.260 0.386 20 0 BCADLO O=C(COC1CC1)OCC[NH+]1CCOCC1 ZINC000884656969 592001834 /nfs/dbraw/zinc/00/18/34/592001834.db2.gz BXKHNXGKBZZTGN-UHFFFAOYSA-N 1 2 229.276 0.041 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC(=O)[C@@H]1C ZINC000885051782 592039655 /nfs/dbraw/zinc/03/96/55/592039655.db2.gz FJOMBHFBHVAUAW-VIFPVBQESA-N 1 2 235.287 0.841 20 0 BCADLO COCCOC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000885065944 592044158 /nfs/dbraw/zinc/04/41/58/592044158.db2.gz ISZOZXFXMBESRU-NXEZZACHSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000885065944 592044160 /nfs/dbraw/zinc/04/41/60/592044160.db2.gz ISZOZXFXMBESRU-NXEZZACHSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000885065954 592044309 /nfs/dbraw/zinc/04/43/09/592044309.db2.gz ISZOZXFXMBESRU-ZJUUUORDSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000885065954 592044311 /nfs/dbraw/zinc/04/43/11/592044311.db2.gz ISZOZXFXMBESRU-ZJUUUORDSA-N 1 2 246.307 0.078 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC2OCCO2)CCO1 ZINC000135746704 592044554 /nfs/dbraw/zinc/04/45/54/592044554.db2.gz FKIKXHZOMMKMNY-NSHDSACASA-N 1 2 215.293 0.860 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC2OCCO2)CCO1 ZINC000135746704 592044555 /nfs/dbraw/zinc/04/45/55/592044555.db2.gz FKIKXHZOMMKMNY-NSHDSACASA-N 1 2 215.293 0.860 20 0 BCADLO CC[C@]1(C)C[N@H+](CC2OCCO2)CCO1 ZINC000135746665 592044560 /nfs/dbraw/zinc/04/45/60/592044560.db2.gz FKIKXHZOMMKMNY-LLVKDONJSA-N 1 2 215.293 0.860 20 0 BCADLO CC[C@]1(C)C[N@@H+](CC2OCCO2)CCO1 ZINC000135746665 592044561 /nfs/dbraw/zinc/04/45/61/592044561.db2.gz FKIKXHZOMMKMNY-LLVKDONJSA-N 1 2 215.293 0.860 20 0 BCADLO COCCOC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000885309049 592064513 /nfs/dbraw/zinc/06/45/13/592064513.db2.gz AWDKDPNRTPYNFA-MRVPVSSYSA-N 1 2 227.264 0.854 20 0 BCADLO CCn1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)nn1 ZINC000885973697 592119092 /nfs/dbraw/zinc/11/90/92/592119092.db2.gz YSDFPAQLAJCOMV-SECBINFHSA-N 1 2 239.323 0.288 20 0 BCADLO CC[S@@](=O)CCNc1[nH+]cnc(N)c1OC ZINC000217575888 592135888 /nfs/dbraw/zinc/13/58/88/592135888.db2.gz ZZUKTKKUXITTOU-MRXNPFEDSA-N 1 2 244.320 0.248 20 0 BCADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)O)c1C ZINC000136745817 592149862 /nfs/dbraw/zinc/14/98/62/592149862.db2.gz FBHNEBOMXMQNMH-VIFPVBQESA-N 1 2 238.287 0.704 20 0 BCADLO CCOCCN1CC[NH+](CC(OC)OC)CC1 ZINC000136761161 592149888 /nfs/dbraw/zinc/14/98/88/592149888.db2.gz DVPBIKMOTOXCNU-UHFFFAOYSA-N 1 2 246.351 0.259 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCC1=O ZINC000886144988 592162538 /nfs/dbraw/zinc/16/25/38/592162538.db2.gz MHTJYHCXJGJLAI-GMSGAONNSA-N 1 2 221.247 0.913 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCC1=O ZINC000886144988 592162540 /nfs/dbraw/zinc/16/25/40/592162540.db2.gz MHTJYHCXJGJLAI-GMSGAONNSA-N 1 2 221.247 0.913 20 0 BCADLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)F)CCC1=O ZINC000886144991 592162994 /nfs/dbraw/zinc/16/29/94/592162994.db2.gz MHTJYHCXJGJLAI-XVKPBYJWSA-N 1 2 221.247 0.913 20 0 BCADLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCC1=O ZINC000886144991 592162996 /nfs/dbraw/zinc/16/29/96/592162996.db2.gz MHTJYHCXJGJLAI-XVKPBYJWSA-N 1 2 221.247 0.913 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000886181554 592170342 /nfs/dbraw/zinc/17/03/42/592170342.db2.gz OBLBTBWQQORNBI-MWLCHTKSSA-N 1 2 235.274 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000886181554 592170343 /nfs/dbraw/zinc/17/03/43/592170343.db2.gz OBLBTBWQQORNBI-MWLCHTKSSA-N 1 2 235.274 0.972 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229114 592181419 /nfs/dbraw/zinc/18/14/19/592181419.db2.gz LGANOWLLAZDPOJ-NWDGAFQWSA-N 1 2 239.319 0.738 20 0 BCADLO CON1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000886236167 592182126 /nfs/dbraw/zinc/18/21/26/592182126.db2.gz ARQYCBGFQKZYJV-UHFFFAOYSA-N 1 2 210.281 0.397 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000218829519 592182731 /nfs/dbraw/zinc/18/27/31/592182731.db2.gz OESSYMFENCMVAB-BDAKNGLRSA-N 1 2 214.309 0.922 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000218829519 592182733 /nfs/dbraw/zinc/18/27/33/592182733.db2.gz OESSYMFENCMVAB-BDAKNGLRSA-N 1 2 214.309 0.922 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886241411 592183579 /nfs/dbraw/zinc/18/35/79/592183579.db2.gz XYJKFPVKOGEPJV-NTZNESFSSA-N 1 2 241.331 0.936 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@](C)(O)C(F)F)C1 ZINC000886252231 592187561 /nfs/dbraw/zinc/18/75/61/592187561.db2.gz XUPCRBOUFWJSSX-JTQLQIEISA-N 1 2 236.262 0.514 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886252231 592187564 /nfs/dbraw/zinc/18/75/64/592187564.db2.gz XUPCRBOUFWJSSX-JTQLQIEISA-N 1 2 236.262 0.514 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000886303317 592203970 /nfs/dbraw/zinc/20/39/70/592203970.db2.gz RTMOEUUJPCKMNQ-BDAKNGLRSA-N 1 2 237.259 0.020 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000886303317 592203971 /nfs/dbraw/zinc/20/39/71/592203971.db2.gz RTMOEUUJPCKMNQ-BDAKNGLRSA-N 1 2 237.259 0.020 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2ncncc2C1)C(F)F ZINC000886320028 592208194 /nfs/dbraw/zinc/20/81/94/592208194.db2.gz YLEAVXIAXHDGNN-LLVKDONJSA-N 1 2 243.257 0.851 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2ncncc2C1)C(F)F ZINC000886320028 592208196 /nfs/dbraw/zinc/20/81/96/592208196.db2.gz YLEAVXIAXHDGNN-LLVKDONJSA-N 1 2 243.257 0.851 20 0 BCADLO COC(=O)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000886323436 592208449 /nfs/dbraw/zinc/20/84/49/592208449.db2.gz DQXNJRRRKLEUTM-SNVBAGLBSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@H](NC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000886323436 592208450 /nfs/dbraw/zinc/20/84/50/592208450.db2.gz DQXNJRRRKLEUTM-SNVBAGLBSA-N 1 2 239.275 0.266 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326799 592208513 /nfs/dbraw/zinc/20/85/13/592208513.db2.gz TWWWVSVNPOPCDU-AOOOYVTPSA-N 1 2 221.308 0.925 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326799 592208515 /nfs/dbraw/zinc/20/85/15/592208515.db2.gz TWWWVSVNPOPCDU-AOOOYVTPSA-N 1 2 221.308 0.925 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347081 592213524 /nfs/dbraw/zinc/21/35/24/592213524.db2.gz YCCDTNPVNMKZJA-DTORHVGOSA-N 1 2 221.308 0.880 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347081 592213526 /nfs/dbraw/zinc/21/35/26/592213526.db2.gz YCCDTNPVNMKZJA-DTORHVGOSA-N 1 2 221.308 0.880 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000886470755 592229537 /nfs/dbraw/zinc/22/95/37/592229537.db2.gz ZPWZRKCKWZWAKD-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000886470755 592229538 /nfs/dbraw/zinc/22/95/38/592229538.db2.gz ZPWZRKCKWZWAKD-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886508961 592239226 /nfs/dbraw/zinc/23/92/26/592239226.db2.gz VGTLKLMSSIZRBP-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886508961 592239230 /nfs/dbraw/zinc/23/92/30/592239230.db2.gz VGTLKLMSSIZRBP-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517432 592242081 /nfs/dbraw/zinc/24/20/81/592242081.db2.gz CTNXEBQJLOYPJD-DJLDLDEBSA-N 1 2 240.307 0.120 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517432 592242084 /nfs/dbraw/zinc/24/20/84/592242084.db2.gz CTNXEBQJLOYPJD-DJLDLDEBSA-N 1 2 240.307 0.120 20 0 BCADLO C[N@H+](Cc1ccncc1F)[C@@H]1COC[C@H]1O ZINC000886517631 592242507 /nfs/dbraw/zinc/24/25/07/592242507.db2.gz KUWLAKCIUFXTQC-GHMZBOCLSA-N 1 2 226.251 0.412 20 0 BCADLO C[N@@H+](Cc1ccncc1F)[C@@H]1COC[C@H]1O ZINC000886517631 592242509 /nfs/dbraw/zinc/24/25/09/592242509.db2.gz KUWLAKCIUFXTQC-GHMZBOCLSA-N 1 2 226.251 0.412 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886529043 592247657 /nfs/dbraw/zinc/24/76/57/592247657.db2.gz VUNRTVDPCDWRKV-SFYZADRCSA-N 1 2 211.265 0.850 20 0 BCADLO C/C=C/[C@H](O)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608340 592274438 /nfs/dbraw/zinc/27/44/38/592274438.db2.gz TVHLBOKPRVDRRB-PYEVWLCESA-N 1 2 249.314 0.725 20 0 BCADLO Cc1cc(=O)[nH]c(N2CC[NH+](CCF)CC2)n1 ZINC000886656430 592292076 /nfs/dbraw/zinc/29/20/76/592292076.db2.gz DZCZUKKMDJHYMN-UHFFFAOYSA-N 1 2 240.282 0.582 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678507 592299411 /nfs/dbraw/zinc/29/94/11/592299411.db2.gz FMLPRBRXXSODLE-WDEREUQCSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678507 592299415 /nfs/dbraw/zinc/29/94/15/592299415.db2.gz FMLPRBRXXSODLE-WDEREUQCSA-N 1 2 247.298 0.972 20 0 BCADLO CSCc1nnc(C[NH2+][C@H](C)CCO)[nH]1 ZINC000886755278 592316378 /nfs/dbraw/zinc/31/63/78/592316378.db2.gz CXDXKHMXBCBGJP-SSDOTTSWSA-N 1 2 230.337 0.528 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H](C)CCO)n1 ZINC000886755278 592316381 /nfs/dbraw/zinc/31/63/81/592316381.db2.gz CXDXKHMXBCBGJP-SSDOTTSWSA-N 1 2 230.337 0.528 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cn(C)cn2)C1 ZINC000886854728 592367565 /nfs/dbraw/zinc/36/75/65/592367565.db2.gz ZQMPCGOGJNUWAV-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)cn2)C1 ZINC000886854728 592367571 /nfs/dbraw/zinc/36/75/71/592367571.db2.gz ZQMPCGOGJNUWAV-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C[C@H](CO)C2)c1 ZINC000886880100 592380907 /nfs/dbraw/zinc/38/09/07/592380907.db2.gz CFHMIYJKFHAPBO-OJKFRZQCSA-N 1 2 235.287 0.320 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](C)OC ZINC000886946362 592400575 /nfs/dbraw/zinc/40/05/75/592400575.db2.gz JUDXTWDCCTZSQE-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO CC(C)C[C@H]1C(=O)N[C@H](c2c[nH]c[nH+]2)N1C ZINC000887332764 592481853 /nfs/dbraw/zinc/48/18/53/592481853.db2.gz MFJAXNLFLDBDSQ-UWVGGRQHSA-N 1 2 222.292 0.885 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000887340863 592482445 /nfs/dbraw/zinc/48/24/45/592482445.db2.gz OCSQLHJSFLROCV-AOOOYVTPSA-N 1 2 220.276 0.544 20 0 BCADLO Cc1cccc(CCn2cc(CON)nn2)[nH+]1 ZINC000887428151 592505219 /nfs/dbraw/zinc/50/52/19/592505219.db2.gz RHCFJGQPVWBZTN-UHFFFAOYSA-N 1 2 233.275 0.615 20 0 BCADLO CCn1cc(C[N@@H+]2CCCOC[C@@H]2C)nn1 ZINC000887546354 592522366 /nfs/dbraw/zinc/52/23/66/592522366.db2.gz NDRZNFBGPMUJOO-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCCOC[C@@H]2C)nn1 ZINC000887546354 592522369 /nfs/dbraw/zinc/52/23/69/592522369.db2.gz NDRZNFBGPMUJOO-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCO/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000223520301 592533821 /nfs/dbraw/zinc/53/38/21/592533821.db2.gz UDCPWIPXKVIQDR-XVNBXDOJSA-N 1 2 210.233 0.977 20 0 BCADLO CCO/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000223520241 592533916 /nfs/dbraw/zinc/53/39/16/592533916.db2.gz UDCPWIPXKVIQDR-CLTKARDFSA-N 1 2 210.233 0.977 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000888072673 592574763 /nfs/dbraw/zinc/57/47/63/592574763.db2.gz PXJIXVDZMONLOZ-SECBINFHSA-N 1 2 249.270 0.267 20 0 BCADLO Cc1noc(C2(NC(=O)c3c[nH+]c(C)[nH]3)CC2)n1 ZINC000889240214 592591390 /nfs/dbraw/zinc/59/13/90/592591390.db2.gz SFSOUMHQVSHCIF-UHFFFAOYSA-N 1 2 247.258 0.829 20 0 BCADLO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000889702690 592648523 /nfs/dbraw/zinc/64/85/23/592648523.db2.gz HPRNCGDLXGQBQM-JTQLQIEISA-N 1 2 249.318 0.356 20 0 BCADLO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000889702690 592648524 /nfs/dbraw/zinc/64/85/24/592648524.db2.gz HPRNCGDLXGQBQM-JTQLQIEISA-N 1 2 249.318 0.356 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100431 592678836 /nfs/dbraw/zinc/67/88/36/592678836.db2.gz XEGQWRDLFISEGH-INTQDDNPSA-N 1 2 237.303 0.707 20 0 BCADLO CCn1ncc(C(=O)NCc2cn(C)c[nH+]2)c1C ZINC000890100427 592679034 /nfs/dbraw/zinc/67/90/34/592679034.db2.gz XECNXYRIPVDQCA-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c1 ZINC000890099726 592679358 /nfs/dbraw/zinc/67/93/58/592679358.db2.gz HYZCWYCRTADXSB-FBIMIBRVSA-N 1 2 233.271 0.261 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100430 592679447 /nfs/dbraw/zinc/67/94/47/592679447.db2.gz XEGQWRDLFISEGH-FBIMIBRVSA-N 1 2 237.303 0.707 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCC2(O)CCC2)c1 ZINC000890103686 592679892 /nfs/dbraw/zinc/67/98/92/592679892.db2.gz BSUZMKNMZXMGPL-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO COc1nc(C(=O)NCc2cn(C)c[nH+]2)co1 ZINC000890103225 592680043 /nfs/dbraw/zinc/68/00/43/592680043.db2.gz HEQXSYOIZLYNOV-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO CCCn1nccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890103301 592680053 /nfs/dbraw/zinc/68/00/53/592680053.db2.gz IQSUHJVKLHNOMI-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO CCC(=O)C1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104458 592680160 /nfs/dbraw/zinc/68/01/60/592680160.db2.gz LPPJVDHTFFCNJA-UHFFFAOYSA-N 1 2 235.287 0.796 20 0 BCADLO CCn1cnc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890103296 592680312 /nfs/dbraw/zinc/68/03/12/592680312.db2.gz IPBWKJCXVQCYOF-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO Cc1nc(C(=O)NCc2cn(C)c[nH+]2)c(C)o1 ZINC000890106861 592681174 /nfs/dbraw/zinc/68/11/74/592681174.db2.gz GXJWPQAZCVRPAT-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H](O)C2CCC2)c1 ZINC000890105223 592681631 /nfs/dbraw/zinc/68/16/31/592681631.db2.gz ZNZMRGLQDFZBJZ-SNVBAGLBSA-N 1 2 223.276 0.197 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cc3n(n2)CCC3)c1 ZINC000890107099 592682120 /nfs/dbraw/zinc/68/21/20/592682120.db2.gz IHODABLFUXEIRF-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@](C)(O)C2CC2)c1 ZINC000890107460 592682436 /nfs/dbraw/zinc/68/24/36/592682436.db2.gz NSQZOJGPWHURIM-LLVKDONJSA-N 1 2 223.276 0.197 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2(O)CCCC2)c1 ZINC000890109443 592682551 /nfs/dbraw/zinc/68/25/51/592682551.db2.gz BNMQDJMPIYZEJS-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890108145 592682659 /nfs/dbraw/zinc/68/26/59/592682659.db2.gz VIQCRLGXFJTACP-NGZCFLSTSA-N 1 2 237.303 0.850 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CCCOC2)c1 ZINC000890109319 592682663 /nfs/dbraw/zinc/68/26/63/592682663.db2.gz KKTKEEMRXCQIMD-GFCCVEGCSA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109335 592683052 /nfs/dbraw/zinc/68/30/52/592683052.db2.gz KSQBUPNGSFBUHJ-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@@]23CCOC3)c1 ZINC000890108178 592683326 /nfs/dbraw/zinc/68/33/26/592683326.db2.gz VEAYYXQCTLEZKI-ZYHUDNBSSA-N 1 2 235.287 0.463 20 0 BCADLO CC[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(=O)OC ZINC000890107886 592683333 /nfs/dbraw/zinc/68/33/33/592683333.db2.gz PUDZDRCOWXIYJY-VIFPVBQESA-N 1 2 239.275 0.236 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107737 592683442 /nfs/dbraw/zinc/68/34/42/592683442.db2.gz PQDAUXVDEHIEPM-NXEZZACHSA-N 1 2 239.319 0.955 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2(O)CCCCC2)c1 ZINC000890110339 592683736 /nfs/dbraw/zinc/68/37/36/592683736.db2.gz MYBJUVPDBQSMFX-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCCO2)c1 ZINC000890110627 592683758 /nfs/dbraw/zinc/68/37/58/592683758.db2.gz RYGYMXAKADUADB-JTQLQIEISA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCSC2)c1 ZINC000890110060 592683938 /nfs/dbraw/zinc/68/39/38/592683938.db2.gz JOJUWZJAHDDWJP-QMMMGPOBSA-N 1 2 225.317 0.789 20 0 BCADLO CCOCCOCC(=O)NCc1cn(C)c[nH+]1 ZINC000890113909 592684027 /nfs/dbraw/zinc/68/40/27/592684027.db2.gz CCIMUIRHCPPAKO-UHFFFAOYSA-N 1 2 241.291 0.089 20 0 BCADLO CS/C=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890110987 592684538 /nfs/dbraw/zinc/68/45/38/592684538.db2.gz YFXOIXVRBJWMHU-ARJAWSKDSA-N 1 2 211.290 0.913 20 0 BCADLO CCc1c(C(=O)NCc2cn(C)c[nH+]2)cnn1C ZINC000890113685 592684544 /nfs/dbraw/zinc/68/45/44/592684544.db2.gz LQYAKTSKIDWAHN-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO CC(=O)CCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117905 592685145 /nfs/dbraw/zinc/68/51/45/592685145.db2.gz YRGSNEPNWZDQBQ-UHFFFAOYSA-N 1 2 223.276 0.796 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117465 592685775 /nfs/dbraw/zinc/68/57/75/592685775.db2.gz ROKQLYKQXWKKGC-NXEZZACHSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CCCO2)c1 ZINC000890117619 592685845 /nfs/dbraw/zinc/68/58/45/592685845.db2.gz UZXJLVIXWKCNGQ-JTQLQIEISA-N 1 2 223.276 0.605 20 0 BCADLO Cc1ocnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890114339 592685879 /nfs/dbraw/zinc/68/58/79/592685879.db2.gz GQVIQEYZEIFYOK-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COCC2CC2)c1 ZINC000890117406 592686066 /nfs/dbraw/zinc/68/60/66/592686066.db2.gz QOPFPSITNJLBKI-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000010495254 592738336 /nfs/dbraw/zinc/73/83/36/592738336.db2.gz MTPTXZOJDFFLGT-UHFFFAOYSA-N 1 2 226.305 0.881 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235286 598214914 /nfs/dbraw/zinc/21/49/14/598214914.db2.gz WIIFGCHXOJLUDM-BDAKNGLRSA-N 1 2 211.265 0.724 20 0 BCADLO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)[NH+](C)C ZINC000738938088 603273904 /nfs/dbraw/zinc/27/39/04/603273904.db2.gz GQZSZBIULYIHOD-MNOVXSKESA-N 1 2 243.351 0.916 20 0 BCADLO C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)[O-] ZINC000049328829 604378849 /nfs/dbraw/zinc/37/88/49/604378849.db2.gz HNUWURABEXJWJO-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO C[N@H+](CCCn1cc[nH+]c1)CCC(=O)[O-] ZINC000049328829 604378842 /nfs/dbraw/zinc/37/88/42/604378842.db2.gz HNUWURABEXJWJO-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CNc1cc(N2C[C@@H](C)O[C@H](CO)C2)nc[nH+]1 ZINC000299967594 634405795 /nfs/dbraw/zinc/40/57/95/634405795.db2.gz QFUBPOYYFRUFSV-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@@H](C)O[C@H](CO)C2)[nH+]cn1 ZINC000299967594 634405802 /nfs/dbraw/zinc/40/58/02/634405802.db2.gz QFUBPOYYFRUFSV-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO C[C@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CN(C)CCO1 ZINC000124857172 634436002 /nfs/dbraw/zinc/43/60/02/634436002.db2.gz XZYFCWRRQSYRKE-ONGXEEELSA-N 1 2 224.308 0.218 20 0 BCADLO COC[C@H](O)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000336716463 635255499 /nfs/dbraw/zinc/25/54/99/635255499.db2.gz WEXYBSGIQKPUFL-SCZZXKLOSA-N 1 2 225.292 0.384 20 0 BCADLO CN(C)C(=O)C[NH+]1CCN(C/C=C/Cl)CC1 ZINC000054115922 635403053 /nfs/dbraw/zinc/40/30/53/635403053.db2.gz GYCNRDXVRYCUOD-ONEGZZNKSA-N 1 2 245.754 0.445 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](O)CC(C)C ZINC000226304162 635430183 /nfs/dbraw/zinc/43/01/83/635430183.db2.gz OOAZEIAYHOKDRJ-QMMMGPOBSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](O)CC(C)C ZINC000226304162 635430191 /nfs/dbraw/zinc/43/01/91/635430191.db2.gz OOAZEIAYHOKDRJ-QMMMGPOBSA-N 1 2 240.307 0.886 20 0 BCADLO CC[S@](C)(=O)=NC(=O)Cc1c[nH+]cn1C ZINC000925826236 635434759 /nfs/dbraw/zinc/43/47/59/635434759.db2.gz GBOGNXIEUGKFPT-HNNXBMFYSA-N 1 2 229.305 0.607 20 0 BCADLO Cc1nn(C)c(C)c1C[NH2+]Cc1cnn(C)n1 ZINC000310305140 635576309 /nfs/dbraw/zinc/57/63/09/635576309.db2.gz VGMQQDOCADTFBI-UHFFFAOYSA-N 1 2 234.307 0.455 20 0 BCADLO Cn1ccnc1[C@H]([NH2+][C@H]1CNOC1)C1CC1 ZINC000925871459 635586174 /nfs/dbraw/zinc/58/61/74/635586174.db2.gz WRMQPJYXSCBXAB-VHSXEESVSA-N 1 2 222.292 0.364 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCc1cnccn1 ZINC000933327436 631258914 /nfs/dbraw/zinc/25/89/14/631258914.db2.gz OMPYQGZAJQOQDT-LBPRGKRZSA-N 1 2 237.303 0.366 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCc1cnccn1 ZINC000933327436 631258916 /nfs/dbraw/zinc/25/89/16/631258916.db2.gz OMPYQGZAJQOQDT-LBPRGKRZSA-N 1 2 237.303 0.366 20 0 BCADLO O=C1OCC[C@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000075609524 631269557 /nfs/dbraw/zinc/26/95/57/631269557.db2.gz WPOCVAHBBGUTHR-SECBINFHSA-N 1 2 227.260 0.141 20 0 BCADLO Nc1ccc(CNC(=O)[C@@H]2CCCOC2)c[nH+]1 ZINC000308392150 631309606 /nfs/dbraw/zinc/30/96/06/631309606.db2.gz NXSGDOJVRKWXJE-SNVBAGLBSA-N 1 2 235.287 0.707 20 0 BCADLO CCOCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308392510 631309639 /nfs/dbraw/zinc/30/96/39/631309639.db2.gz PDBPANNHSQTKRW-UHFFFAOYSA-N 1 2 223.276 0.707 20 0 BCADLO CC(C)[C@H](CCO)[NH2+][C@@H]1CCOC1=O ZINC000308500890 631318702 /nfs/dbraw/zinc/31/87/02/631318702.db2.gz GMAREXVJQLSCIC-DTWKUNHWSA-N 1 2 201.266 0.299 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000891514437 631382929 /nfs/dbraw/zinc/38/29/29/631382929.db2.gz ROXSAFBTJFHFHJ-MWLCHTKSSA-N 1 2 237.303 0.504 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538888 631399135 /nfs/dbraw/zinc/39/91/35/631399135.db2.gz MTGYPWUMOMVPGC-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538888 631399139 /nfs/dbraw/zinc/39/91/39/631399139.db2.gz MTGYPWUMOMVPGC-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000178213017 631421329 /nfs/dbraw/zinc/42/13/29/631421329.db2.gz KRQJMDQKYPEJFS-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000178213017 631421333 /nfs/dbraw/zinc/42/13/33/631421333.db2.gz KRQJMDQKYPEJFS-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CC)CO ZINC000308620986 631446917 /nfs/dbraw/zinc/44/69/17/631446917.db2.gz TWHYTBROJCDSFM-BDAKNGLRSA-N 1 2 203.282 0.689 20 0 BCADLO Cc1ncoc1C[N@@H+](CC(N)=O)C(C)C ZINC000893902335 635637298 /nfs/dbraw/zinc/63/72/98/635637298.db2.gz OIUMQIFGAAAFGV-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1ncoc1C[N@H+](CC(N)=O)C(C)C ZINC000893902335 635637301 /nfs/dbraw/zinc/63/73/01/635637301.db2.gz OIUMQIFGAAAFGV-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H]2CO)n1 ZINC000934012776 631590377 /nfs/dbraw/zinc/59/03/77/631590377.db2.gz CZFDKQIDBAZSCX-SNVBAGLBSA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cccc(C[N@H+]2CC[C@@H]2CO)n1 ZINC000934012776 631590381 /nfs/dbraw/zinc/59/03/81/631590381.db2.gz CZFDKQIDBAZSCX-SNVBAGLBSA-N 1 2 236.271 0.435 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000934027349 631620805 /nfs/dbraw/zinc/62/08/05/631620805.db2.gz JYCRPDAESLWBQC-SNVBAGLBSA-N 1 2 218.260 0.296 20 0 BCADLO OC[C@H]1CC[N@H+]1Cc1cn2cccnc2n1 ZINC000934027349 631620811 /nfs/dbraw/zinc/62/08/11/631620811.db2.gz JYCRPDAESLWBQC-SNVBAGLBSA-N 1 2 218.260 0.296 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NC(C1CC1)C1CC1 ZINC000934021264 631621850 /nfs/dbraw/zinc/62/18/50/631621850.db2.gz MTACNIUMTWHDFL-NSHDSACASA-N 1 2 238.331 0.358 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NC(C1CC1)C1CC1 ZINC000934021264 631621856 /nfs/dbraw/zinc/62/18/56/631621856.db2.gz MTACNIUMTWHDFL-NSHDSACASA-N 1 2 238.331 0.358 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]1CO ZINC000934023405 631624045 /nfs/dbraw/zinc/62/40/45/631624045.db2.gz HKZOVHNCJZMTKY-BDAKNGLRSA-N 1 2 215.293 0.783 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]1CO ZINC000934023405 631624049 /nfs/dbraw/zinc/62/40/49/631624049.db2.gz HKZOVHNCJZMTKY-BDAKNGLRSA-N 1 2 215.293 0.783 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](O)C1 ZINC000934032082 631631356 /nfs/dbraw/zinc/63/13/56/631631356.db2.gz UDSFDRBSFURUSY-VIFPVBQESA-N 1 2 231.255 0.770 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2COCC[C@H]2OC)[nH]1 ZINC000934039057 631637439 /nfs/dbraw/zinc/63/74/39/631637439.db2.gz MANIPLXVAYSIHA-RKDXNWHRSA-N 1 2 240.307 0.261 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nccc(N)n1 ZINC000934114843 631692485 /nfs/dbraw/zinc/69/24/85/631692485.db2.gz WNDONBPVQSTJHE-RKDXNWHRSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nccc(N)n1 ZINC000934114843 631692488 /nfs/dbraw/zinc/69/24/88/631692488.db2.gz WNDONBPVQSTJHE-RKDXNWHRSA-N 1 2 222.292 0.668 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000308964155 631771375 /nfs/dbraw/zinc/77/13/75/631771375.db2.gz UDBGZOYUYTVWTH-UWVGGRQHSA-N 1 2 213.277 0.299 20 0 BCADLO CNc1cc(N(C)C[C@H](C)OC)nc[nH+]1 ZINC000308984976 631780448 /nfs/dbraw/zinc/78/04/48/631780448.db2.gz TZKWCQIXKAMHHQ-QMMMGPOBSA-N 1 2 210.281 0.989 20 0 BCADLO CNc1cc(N(C)C[C@H](C)OC)[nH+]cn1 ZINC000308984976 631780450 /nfs/dbraw/zinc/78/04/50/631780450.db2.gz TZKWCQIXKAMHHQ-QMMMGPOBSA-N 1 2 210.281 0.989 20 0 BCADLO C[C@H]1C[N@H+](CCNc2cc(=O)[nH]cn2)CCO1 ZINC000892246488 631812571 /nfs/dbraw/zinc/81/25/71/631812571.db2.gz LXXFGEVPXSKIGJ-VIFPVBQESA-N 1 2 238.291 0.315 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2cc(=O)[nH]cn2)CCO1 ZINC000892246488 631812576 /nfs/dbraw/zinc/81/25/76/631812576.db2.gz LXXFGEVPXSKIGJ-VIFPVBQESA-N 1 2 238.291 0.315 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cc(C)on1 ZINC000044724729 631818570 /nfs/dbraw/zinc/81/85/70/631818570.db2.gz ZXBOYAOQXAPRBA-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCCCOC(=O)C[N@H+](CCO)C1CC1 ZINC000048065419 631854874 /nfs/dbraw/zinc/85/48/74/631854874.db2.gz KIWWOGSHMPNLTQ-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO CCCCOC(=O)C[N@@H+](CCO)C1CC1 ZINC000048065419 631854880 /nfs/dbraw/zinc/85/48/80/631854880.db2.gz KIWWOGSHMPNLTQ-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C[C@@H]1F ZINC000934559880 631921113 /nfs/dbraw/zinc/92/11/13/631921113.db2.gz FPAVOBSPIAPCMT-GARJFASQSA-N 1 2 233.283 0.197 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C[C@@H]1F ZINC000934559880 631921121 /nfs/dbraw/zinc/92/11/21/631921121.db2.gz FPAVOBSPIAPCMT-GARJFASQSA-N 1 2 233.283 0.197 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](O)[C@@H](F)C2)[nH+]c1C ZINC000934568058 631933350 /nfs/dbraw/zinc/93/33/50/631933350.db2.gz SPHWJUBMXKMOMS-VHSXEESVSA-N 1 2 227.283 0.931 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](O)[C@H](F)C2)[nH+]c1C ZINC000934568059 631934774 /nfs/dbraw/zinc/93/47/74/631934774.db2.gz SPHWJUBMXKMOMS-ZJUUUORDSA-N 1 2 227.283 0.931 20 0 BCADLO COC(C[N@@H+]1CC[C@@H](O)[C@H](F)C1)OC ZINC000934571798 631944515 /nfs/dbraw/zinc/94/45/15/631944515.db2.gz ZEVSWUBQPPXBGD-HTQZYQBOSA-N 1 2 207.245 0.010 20 0 BCADLO COC(C[N@H+]1CC[C@@H](O)[C@H](F)C1)OC ZINC000934571798 631944519 /nfs/dbraw/zinc/94/45/19/631944519.db2.gz ZEVSWUBQPPXBGD-HTQZYQBOSA-N 1 2 207.245 0.010 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934579071 631950415 /nfs/dbraw/zinc/95/04/15/631950415.db2.gz GRIQDVCPYSHDJX-RYUDHWBXSA-N 1 2 241.310 0.942 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934579071 631950420 /nfs/dbraw/zinc/95/04/20/631950420.db2.gz GRIQDVCPYSHDJX-RYUDHWBXSA-N 1 2 241.310 0.942 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051827603 631951776 /nfs/dbraw/zinc/95/17/76/631951776.db2.gz XUIZJCDBIWWPAC-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051827603 631951782 /nfs/dbraw/zinc/95/17/82/631951782.db2.gz XUIZJCDBIWWPAC-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO CO[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308856544 631962376 /nfs/dbraw/zinc/96/23/76/631962376.db2.gz TXQXGMUPNZQYEM-ZETCQYMHSA-N 1 2 210.233 0.742 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000309299765 631994197 /nfs/dbraw/zinc/99/41/97/631994197.db2.gz XYIBPECERXXLRT-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1CC(O)C1 ZINC000091490466 632035411 /nfs/dbraw/zinc/03/54/11/632035411.db2.gz CXMPKHFMTFHGOZ-UHFFFAOYSA-N 1 2 237.307 0.211 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1CC(O)C1 ZINC000091490466 632035415 /nfs/dbraw/zinc/03/54/15/632035415.db2.gz CXMPKHFMTFHGOZ-UHFFFAOYSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2(CC2)C1 ZINC000926458328 632080129 /nfs/dbraw/zinc/08/01/29/632080129.db2.gz KYEKMDNUGXIWDL-UHFFFAOYSA-N 1 2 205.261 0.585 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877613812 635746380 /nfs/dbraw/zinc/74/63/80/635746380.db2.gz QJZMOYDGDINLBP-VHSXEESVSA-N 1 2 229.324 0.126 20 0 BCADLO CCO[N-]C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877613812 635746385 /nfs/dbraw/zinc/74/63/85/635746385.db2.gz QJZMOYDGDINLBP-VHSXEESVSA-N 1 2 229.324 0.126 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000924466463 632113960 /nfs/dbraw/zinc/11/39/60/632113960.db2.gz UHHHDGXOFKKSPF-ZYHUDNBSSA-N 1 2 249.314 0.980 20 0 BCADLO CC/C=C\CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000924904955 635759210 /nfs/dbraw/zinc/75/92/10/635759210.db2.gz AZFWDEFDUPSKPO-XOULXFPDSA-N 1 2 248.286 0.839 20 0 BCADLO CC/C=C\CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000924904955 635759215 /nfs/dbraw/zinc/75/92/15/635759215.db2.gz AZFWDEFDUPSKPO-XOULXFPDSA-N 1 2 248.286 0.839 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nocc1C ZINC000878915790 635819693 /nfs/dbraw/zinc/81/96/93/635819693.db2.gz NEOXKNTZWHXFCY-WCBMZHEXSA-N 1 2 240.259 0.403 20 0 BCADLO NC(=O)[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892338791 632396223 /nfs/dbraw/zinc/39/62/23/632396223.db2.gz BKOQSDFKEPWVDG-QMMMGPOBSA-N 1 2 231.259 0.041 20 0 BCADLO C[C@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C=CCC1 ZINC000935018615 632415733 /nfs/dbraw/zinc/41/57/33/632415733.db2.gz ZBRCWNPZOLQKEA-JSGCOSHPSA-N 1 2 249.358 0.459 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000131116585 632452167 /nfs/dbraw/zinc/45/21/67/632452167.db2.gz RNTKIBDVBHJRGR-STUBTGCMSA-N 1 2 240.303 0.446 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCCC[C@H]1C(N)=O ZINC000131116585 632452170 /nfs/dbraw/zinc/45/21/70/632452170.db2.gz RNTKIBDVBHJRGR-STUBTGCMSA-N 1 2 240.303 0.446 20 0 BCADLO CCOCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179516254 632741243 /nfs/dbraw/zinc/74/12/43/632741243.db2.gz FLARWIAZOFAPRJ-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC[C@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892633140 633031903 /nfs/dbraw/zinc/03/19/03/633031903.db2.gz SYHTVOAYWOBPNT-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892633140 633031906 /nfs/dbraw/zinc/03/19/06/633031906.db2.gz SYHTVOAYWOBPNT-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO CCCNc1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000311131159 633074472 /nfs/dbraw/zinc/07/44/72/633074472.db2.gz AWRXMVCIGVNJBK-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO CCCNc1cc(N[C@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000311131159 633074476 /nfs/dbraw/zinc/07/44/76/633074476.db2.gz AWRXMVCIGVNJBK-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCN1C ZINC000307937697 633140684 /nfs/dbraw/zinc/14/06/84/633140684.db2.gz PNIWBOWVVFEPOC-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCN1C ZINC000307937697 633140691 /nfs/dbraw/zinc/14/06/91/633140691.db2.gz PNIWBOWVVFEPOC-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000895034038 636016889 /nfs/dbraw/zinc/01/68/89/636016889.db2.gz OZZHJYXONCFEIR-JTQLQIEISA-N 1 2 240.303 0.955 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000895034038 636016897 /nfs/dbraw/zinc/01/68/97/636016897.db2.gz OZZHJYXONCFEIR-JTQLQIEISA-N 1 2 240.303 0.955 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@@H](C)O ZINC000181464099 633916209 /nfs/dbraw/zinc/91/62/09/633916209.db2.gz NNWJTTZXCYFVIP-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000181464099 633916211 /nfs/dbraw/zinc/91/62/11/633916211.db2.gz NNWJTTZXCYFVIP-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO CS(=O)(=O)C1(C[NH2+]Cc2c[nH]cn2)CCC1 ZINC000309719400 633996315 /nfs/dbraw/zinc/99/63/15/633996315.db2.gz VLHNZGAECGHIPR-UHFFFAOYSA-N 1 2 243.332 0.467 20 0 BCADLO CN1C[C@@H](CCNc2cc(CO)cc[nH+]2)CC1=O ZINC000895477831 636150285 /nfs/dbraw/zinc/15/02/85/636150285.db2.gz BGEJFKGXXDHAGH-JTQLQIEISA-N 1 2 249.314 0.854 20 0 BCADLO Cc1nnc(C[NH2+]C2(C(N)=O)CCCC2)[nH]1 ZINC000309836809 634023682 /nfs/dbraw/zinc/02/36/82/634023682.db2.gz BMHMTLTWMXTENL-UHFFFAOYSA-N 1 2 223.280 0.001 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000930739496 634079078 /nfs/dbraw/zinc/07/90/78/634079078.db2.gz RQGJTLGIEMFXES-ONGXEEELSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000930739496 634079084 /nfs/dbraw/zinc/07/90/84/634079084.db2.gz RQGJTLGIEMFXES-ONGXEEELSA-N 1 2 242.344 0.767 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000310023929 634084563 /nfs/dbraw/zinc/08/45/63/634084563.db2.gz RNTKIBDVBHJRGR-ONRRBMGISA-N 1 2 240.303 0.446 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000310023929 634084569 /nfs/dbraw/zinc/08/45/69/634084569.db2.gz RNTKIBDVBHJRGR-ONRRBMGISA-N 1 2 240.303 0.446 20 0 BCADLO COCC[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000053258510 634116220 /nfs/dbraw/zinc/11/62/20/634116220.db2.gz AVMBRRAXBVGKHW-SNVBAGLBSA-N 1 2 231.292 0.191 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000924129561 634121599 /nfs/dbraw/zinc/12/15/99/634121599.db2.gz HXPUJSMPCBHNCO-DGCLKSJQSA-N 1 2 249.314 0.647 20 0 BCADLO CCC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909335677 634369340 /nfs/dbraw/zinc/36/93/40/634369340.db2.gz LMVWMLSTXMQZBI-JTQLQIEISA-N 1 2 235.287 0.922 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001027709789 635119734 /nfs/dbraw/zinc/11/97/34/635119734.db2.gz FBUVSKJPBGLYRH-LLVKDONJSA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001027709789 635119735 /nfs/dbraw/zinc/11/97/35/635119735.db2.gz FBUVSKJPBGLYRH-LLVKDONJSA-N 1 2 223.276 0.775 20 0 BCADLO O=C([C@H]1CCCO1)N1CCC[N@@H+](CCF)CC1 ZINC000980671065 635253837 /nfs/dbraw/zinc/25/38/37/635253837.db2.gz MTNIFMGSZOBAKA-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C([C@H]1CCCO1)N1CCC[N@H+](CCF)CC1 ZINC000980671065 635253843 /nfs/dbraw/zinc/25/38/43/635253843.db2.gz MTNIFMGSZOBAKA-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C1[C@H](n2cc[nH+]c2)CCN1C1CCOCC1 ZINC000336713616 635255806 /nfs/dbraw/zinc/25/58/06/635255806.db2.gz PXHPJBVSZGVVBL-LLVKDONJSA-N 1 2 235.287 0.836 20 0 BCADLO CCc1cc(NC[C@](C)(O)CO)nc(CC)[nH+]1 ZINC000893624980 635303956 /nfs/dbraw/zinc/30/39/56/635303956.db2.gz PJJDVHHDNULJNU-LBPRGKRZSA-N 1 2 239.319 0.757 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn(C)n2)cn1 ZINC000310199603 635382284 /nfs/dbraw/zinc/38/22/84/635382284.db2.gz BPQYUCQLDDTOCO-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ncnn21 ZINC000924898880 635754632 /nfs/dbraw/zinc/75/46/32/635754632.db2.gz ZPGZHWHBIFZBRH-IWSPIJDZSA-N 1 2 235.291 0.104 20 0 BCADLO NC(=O)C1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000049319878 636058990 /nfs/dbraw/zinc/05/89/90/636058990.db2.gz PZWRILWHZWYRJW-UHFFFAOYSA-N 1 2 242.710 0.691 20 0 BCADLO Cn1nccc1[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000896629155 636209801 /nfs/dbraw/zinc/20/98/01/636209801.db2.gz QSUDIPPXRCVANA-LLVKDONJSA-N 1 2 248.286 0.453 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c[nH]nn1 ZINC000896825080 636222698 /nfs/dbraw/zinc/22/26/98/636222698.db2.gz FRGCLYLRFDFVRD-VIFPVBQESA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1c[nH]nn1 ZINC000896825080 636222703 /nfs/dbraw/zinc/22/27/03/636222703.db2.gz FRGCLYLRFDFVRD-VIFPVBQESA-N 1 2 237.307 0.294 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH+]c1C ZINC000896907681 636250666 /nfs/dbraw/zinc/25/06/66/636250666.db2.gz QPLWOYUVALMWFK-JZYVYDRUSA-N 1 2 235.287 0.535 20 0 BCADLO CO[C@@H]1CCOC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000897120611 636270427 /nfs/dbraw/zinc/27/04/27/636270427.db2.gz VZHSJCLEXXXSHS-GHMZBOCLSA-N 1 2 238.287 0.790 20 0 BCADLO C[C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000909577687 636282960 /nfs/dbraw/zinc/28/29/60/636282960.db2.gz ATZDFQABAMYDCR-PSASIEDQSA-N 1 2 223.276 0.636 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)[C@H]1C ZINC000985831587 636425187 /nfs/dbraw/zinc/42/51/87/636425187.db2.gz ATLSBZLKTJZCRR-GMSGAONNSA-N 1 2 240.332 0.637 20 0 BCADLO CCCNC(=O)Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000350794335 636440824 /nfs/dbraw/zinc/44/08/24/636440824.db2.gz ORUWVPPJZDRWBQ-QMMMGPOBSA-N 1 2 240.307 0.761 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000928898410 636476440 /nfs/dbraw/zinc/47/64/40/636476440.db2.gz DOXHRGKUNUKMIV-IUCAKERBSA-N 1 2 209.249 0.034 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928913626 636505829 /nfs/dbraw/zinc/50/58/29/636505829.db2.gz OUFGBSCFZNOGSO-FOGDFJRCSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC[C@@H]1C ZINC000928917067 636511426 /nfs/dbraw/zinc/51/14/26/636511426.db2.gz HRTMCLSEQCBDFE-WCABBAIRSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC[C@@H]1C ZINC000928917067 636511434 /nfs/dbraw/zinc/51/14/34/636511434.db2.gz HRTMCLSEQCBDFE-WCABBAIRSA-N 1 2 237.303 0.739 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)/C=C\Cl)C1 ZINC000928933675 636539293 /nfs/dbraw/zinc/53/92/93/636539293.db2.gz NSYGZLCSNQRJQQ-WBSSQXGSSA-N 1 2 246.738 0.964 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)/C=C\Cl)C1 ZINC000928933675 636539298 /nfs/dbraw/zinc/53/92/98/636539298.db2.gz NSYGZLCSNQRJQQ-WBSSQXGSSA-N 1 2 246.738 0.964 20 0 BCADLO NC(Cc1ccccc1)=[NH+]O[C@H]1CCNC1=O ZINC000179118674 636663961 /nfs/dbraw/zinc/66/39/61/636663961.db2.gz GGUCFCPTPANYQS-JTQLQIEISA-N 1 2 233.271 0.406 20 0 BCADLO CC(C)NC(=O)Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000923987213 636799411 /nfs/dbraw/zinc/79/94/11/636799411.db2.gz SQDGNEPLULMUSL-MRVPVSSYSA-N 1 2 240.307 0.759 20 0 BCADLO COc1cc(C(=O)OCCn2cc[nH+]c2)ncn1 ZINC000923913489 636931233 /nfs/dbraw/zinc/93/12/33/636931233.db2.gz LHCQSSSBSJBLGM-UHFFFAOYSA-N 1 2 248.242 0.539 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000924631252 636947652 /nfs/dbraw/zinc/94/76/52/636947652.db2.gz FQKODWGNXARWHW-VXNVDRBHSA-N 1 2 238.291 0.697 20 0 BCADLO C[C@@H]1OCCO[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000923806135 637029534 /nfs/dbraw/zinc/02/95/34/637029534.db2.gz HRTIIQOYBOYHPU-UWVGGRQHSA-N 1 2 240.259 0.230 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC12CCC2 ZINC000898888930 637063157 /nfs/dbraw/zinc/06/31/57/637063157.db2.gz SEONOUMDLYGHNC-VHSXEESVSA-N 1 2 249.314 0.760 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898889109 637065115 /nfs/dbraw/zinc/06/51/15/637065115.db2.gz OGOAFUVYZBFTAI-WPRPVWTQSA-N 1 2 243.282 0.564 20 0 BCADLO Cn1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)nn1 ZINC000898908791 637065183 /nfs/dbraw/zinc/06/51/83/637065183.db2.gz ALPKQDXPOCAUQP-UHFFFAOYSA-N 1 2 248.290 0.177 20 0 BCADLO CC(C)(CNC(=O)COC1CC1)n1cc[nH+]c1 ZINC000898912829 637066654 /nfs/dbraw/zinc/06/66/54/637066654.db2.gz QNVSNKUZGUIKJQ-UHFFFAOYSA-N 1 2 237.303 0.913 20 0 BCADLO Cn1c[nH+]cc1CCS(=O)(=O)CC1CC1 ZINC000899498576 637089330 /nfs/dbraw/zinc/08/93/30/637089330.db2.gz IOWIFPANVJVXFX-UHFFFAOYSA-N 1 2 228.317 0.787 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000900135902 637172955 /nfs/dbraw/zinc/17/29/55/637172955.db2.gz COWJRBANGJOIMK-DTWKUNHWSA-N 1 2 223.276 0.588 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900135901 637173351 /nfs/dbraw/zinc/17/33/51/637173351.db2.gz COWJRBANGJOIMK-BDAKNGLRSA-N 1 2 223.276 0.588 20 0 BCADLO CCN(CC(C)(C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC000900932637 637216118 /nfs/dbraw/zinc/21/61/18/637216118.db2.gz LFGUUOFTJZWIFY-UHFFFAOYSA-N 1 2 225.292 0.572 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H](O)C2CCC2)[nH+]c1C ZINC000900999650 637223924 /nfs/dbraw/zinc/22/39/24/637223924.db2.gz INCCUWRATJWELM-NSHDSACASA-N 1 2 237.303 0.804 20 0 BCADLO C[C@@H]1OC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902614312 637315392 /nfs/dbraw/zinc/31/53/92/637315392.db2.gz WDAIOANVCGVYTC-LURJTMIESA-N 1 2 221.216 0.531 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(=O)o1 ZINC000902652000 637322671 /nfs/dbraw/zinc/32/26/71/637322671.db2.gz NVPLNBCJPMDGKG-UWVGGRQHSA-N 1 2 223.276 0.977 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(=O)o1 ZINC000902652000 637322679 /nfs/dbraw/zinc/32/26/79/637322679.db2.gz NVPLNBCJPMDGKG-UWVGGRQHSA-N 1 2 223.276 0.977 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc[nH]c1=S ZINC000042634822 637335526 /nfs/dbraw/zinc/33/55/26/637335526.db2.gz HALPUUHMPCOZTD-UHFFFAOYSA-N 1 2 248.311 0.997 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903122161 637344412 /nfs/dbraw/zinc/34/44/12/637344412.db2.gz WKXQBBYBNBFNKU-VXGBXAGGSA-N 1 2 237.303 0.756 20 0 BCADLO Cn1ccc(-c2noc(Cn3cc[nH+]c3)n2)n1 ZINC000904876619 637520322 /nfs/dbraw/zinc/52/03/22/637520322.db2.gz NZOSFXJJWFPNTO-UHFFFAOYSA-N 1 2 230.231 0.715 20 0 BCADLO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccn[nH]1 ZINC000905047419 637564836 /nfs/dbraw/zinc/56/48/36/637564836.db2.gz FQURFSZOTKXYHE-LLVKDONJSA-N 1 2 239.319 0.555 20 0 BCADLO Cc1noc(C[NH2+]C[C@H](O)C2(O)CCCC2)n1 ZINC000905093608 637632618 /nfs/dbraw/zinc/63/26/18/637632618.db2.gz LORYTHGGVKTGAV-VIFPVBQESA-N 1 2 241.291 0.134 20 0 BCADLO CC(C)(C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000905160532 637649354 /nfs/dbraw/zinc/64/93/54/637649354.db2.gz CZJWERSVNGBLTJ-QMMMGPOBSA-N 1 2 222.292 0.906 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)C ZINC000905143976 637651807 /nfs/dbraw/zinc/65/18/07/637651807.db2.gz CBZGVRWQMYYTKG-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO CCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905146384 637655945 /nfs/dbraw/zinc/65/59/45/637655945.db2.gz VJGCGRJZXXAXAZ-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CC(F)(F)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905267589 637720301 /nfs/dbraw/zinc/72/03/01/637720301.db2.gz LUWMTTYFGOYMKO-SSDOTTSWSA-N 1 2 209.236 0.507 20 0 BCADLO CC(F)(F)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905268766 637728158 /nfs/dbraw/zinc/72/81/58/637728158.db2.gz RKRXAKMFTKGJSR-WCBMZHEXSA-N 1 2 239.262 0.134 20 0 BCADLO Cc1cc(C)c(C(=O)NCC(=O)N(C)C)c(C)[nH+]1 ZINC000905357743 637776654 /nfs/dbraw/zinc/77/66/54/637776654.db2.gz ZFTVICVPJFEXMR-UHFFFAOYSA-N 1 2 249.314 0.825 20 0 BCADLO Cn1ccc([C@H]2CCC[N@H+](CN3CCC3=O)C2)n1 ZINC000905715802 637894005 /nfs/dbraw/zinc/89/40/05/637894005.db2.gz SJMRRCOXRPNGCH-NSHDSACASA-N 1 2 248.330 0.789 20 0 BCADLO Cn1ccc([C@H]2CCC[N@@H+](CN3CCC3=O)C2)n1 ZINC000905715802 637894012 /nfs/dbraw/zinc/89/40/12/637894012.db2.gz SJMRRCOXRPNGCH-NSHDSACASA-N 1 2 248.330 0.789 20 0 BCADLO CCOCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905814652 637941767 /nfs/dbraw/zinc/94/17/67/637941767.db2.gz CLSJWNWLWSBDLH-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CC[C@@H](O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817918 637943509 /nfs/dbraw/zinc/94/35/09/637943509.db2.gz UXWHEJGOFNVDRA-SNVBAGLBSA-N 1 2 233.275 0.747 20 0 BCADLO CC(C)(O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905816066 637943527 /nfs/dbraw/zinc/94/35/27/637943527.db2.gz LLUDWIMXARWRFM-UHFFFAOYSA-N 1 2 233.275 0.531 20 0 BCADLO COC1(C)C[NH+](C[C@@](C)(O)C(F)F)C1 ZINC000905951307 637998556 /nfs/dbraw/zinc/99/85/56/637998556.db2.gz WWSNDDMFXONGPV-SECBINFHSA-N 1 2 209.236 0.723 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NCCn2cc[nH+]c2)[C@@H]1C ZINC000906128359 638057201 /nfs/dbraw/zinc/05/72/01/638057201.db2.gz BBWMXRILASDHGR-HBNTYKKESA-N 1 2 237.303 0.670 20 0 BCADLO Cc1nnc(Cc2noc(C3([NH+](C)C)CC3)n2)[nH]1 ZINC000906115573 638061212 /nfs/dbraw/zinc/06/12/12/638061212.db2.gz CAPNGVZZKJNKFL-UHFFFAOYSA-N 1 2 248.290 0.638 20 0 BCADLO CC1(C)C[N@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906302631 638136131 /nfs/dbraw/zinc/13/61/31/638136131.db2.gz NWYDXWZCSMNXTD-NSHDSACASA-N 1 2 236.319 0.816 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906302631 638136137 /nfs/dbraw/zinc/13/61/37/638136137.db2.gz NWYDXWZCSMNXTD-NSHDSACASA-N 1 2 236.319 0.816 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906296863 638137064 /nfs/dbraw/zinc/13/70/64/638137064.db2.gz PORPBIGCRGOURU-JOYOIKCWSA-N 1 2 234.303 0.427 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906296863 638137071 /nfs/dbraw/zinc/13/70/71/638137071.db2.gz PORPBIGCRGOURU-JOYOIKCWSA-N 1 2 234.303 0.427 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906310313 638140852 /nfs/dbraw/zinc/14/08/52/638140852.db2.gz ATLYLZLGAVHCNZ-VIFPVBQESA-N 1 2 236.319 0.958 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906310313 638140857 /nfs/dbraw/zinc/14/08/57/638140857.db2.gz ATLYLZLGAVHCNZ-VIFPVBQESA-N 1 2 236.319 0.958 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906360884 638150728 /nfs/dbraw/zinc/15/07/28/638150728.db2.gz YXLKWBFJHDIAHN-JTQLQIEISA-N 1 2 249.314 0.871 20 0 BCADLO COC(=O)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000906767677 638243205 /nfs/dbraw/zinc/24/32/05/638243205.db2.gz VZFZKBSBMFYBNP-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)[nH+]c1C ZINC000906944570 638275248 /nfs/dbraw/zinc/27/52/48/638275248.db2.gz BLOXHEAURRXWOR-GGZOMVNGSA-N 1 2 247.298 0.868 20 0 BCADLO C[C@H]1OCC[C@@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907327196 638356169 /nfs/dbraw/zinc/35/61/69/638356169.db2.gz PWOJBAGZBIGZHL-LDYMZIIASA-N 1 2 223.276 0.636 20 0 BCADLO CC(C)(O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907503758 638395088 /nfs/dbraw/zinc/39/50/88/638395088.db2.gz IEWYZHPRCAZDHW-UHFFFAOYSA-N 1 2 211.265 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(OC(F)F)C1 ZINC000907587864 638412927 /nfs/dbraw/zinc/41/29/27/638412927.db2.gz LOVGAODLNLWECP-UHFFFAOYSA-N 1 2 231.202 0.402 20 0 BCADLO CC[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000907631670 638423561 /nfs/dbraw/zinc/42/35/61/638423561.db2.gz XBENCDPJJNADFA-GFCCVEGCSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CO ZINC000907632204 638426688 /nfs/dbraw/zinc/42/66/88/638426688.db2.gz MNWWJRUHBQFZAM-WCBMZHEXSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)CNc1cccc[nH+]1 ZINC000907665006 638438608 /nfs/dbraw/zinc/43/86/08/638438608.db2.gz VYKQNNPGRFWWND-VHSXEESVSA-N 1 2 235.287 0.475 20 0 BCADLO CC1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907764762 638465047 /nfs/dbraw/zinc/46/50/47/638465047.db2.gz AGUVJTPSXVTBLV-UHFFFAOYSA-N 1 2 205.261 0.972 20 0 BCADLO COCC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000908013859 638548586 /nfs/dbraw/zinc/54/85/86/638548586.db2.gz QEQLMDXPBULZNX-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC1(C(F)F)CC1 ZINC000908023282 638551170 /nfs/dbraw/zinc/55/11/70/638551170.db2.gz MPZITNIYXJMJAT-UHFFFAOYSA-N 1 2 215.203 0.866 20 0 BCADLO COCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000908084562 638562925 /nfs/dbraw/zinc/56/29/25/638562925.db2.gz GACIIFYVJWWPCJ-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)C(=O)O1 ZINC000908208066 638612711 /nfs/dbraw/zinc/61/27/11/638612711.db2.gz MGSYTRAUVGWOQQ-IUCAKERBSA-N 1 2 249.270 0.314 20 0 BCADLO COCCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908243485 638624232 /nfs/dbraw/zinc/62/42/32/638624232.db2.gz GAGCSOVIPVYZBZ-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000908385513 638682824 /nfs/dbraw/zinc/68/28/24/638682824.db2.gz FACUDJIZOTXGHS-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000908464960 638724949 /nfs/dbraw/zinc/72/49/49/638724949.db2.gz DMGCKRPOHCIFBD-MRVPVSSYSA-N 1 2 233.271 0.293 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC1CC(=O)C1 ZINC000908472046 638736550 /nfs/dbraw/zinc/73/65/50/638736550.db2.gz YEBAMFVGUQBFOT-UHFFFAOYSA-N 1 2 221.260 0.200 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]1C(F)F ZINC000908507074 639003130 /nfs/dbraw/zinc/00/31/30/639003130.db2.gz UXLRCDTWOQSITI-SSDOTTSWSA-N 1 2 215.203 0.818 20 0 BCADLO COC[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908540608 639006805 /nfs/dbraw/zinc/00/68/05/639006805.db2.gz IZAIDVRBOHFMEV-LBPRGKRZSA-N 1 2 237.303 0.837 20 0 BCADLO Cc1cc(CNC(=O)Cc2c[nH]c[nH+]2)ccn1 ZINC000908541811 639007717 /nfs/dbraw/zinc/00/77/17/639007717.db2.gz AFYWMTCXDVDOAP-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](O)C(F)F ZINC000908556327 639012794 /nfs/dbraw/zinc/01/27/94/639012794.db2.gz YSJZHRIQGCCNPG-CBAPKCEASA-N 1 2 247.245 0.473 20 0 BCADLO CS[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908565448 639017852 /nfs/dbraw/zinc/01/78/52/639017852.db2.gz GERZJARZEJBDHX-SECBINFHSA-N 1 2 225.317 0.916 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCOC1 ZINC000908706807 639057449 /nfs/dbraw/zinc/05/74/49/639057449.db2.gz OKKNAFJVABMABG-UHFFFAOYSA-N 1 2 207.233 0.310 20 0 BCADLO CCC(C)(C)C(=O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758942 639063676 /nfs/dbraw/zinc/06/36/76/639063676.db2.gz UANRFVKIZDZSJP-VIFPVBQESA-N 1 2 249.314 0.929 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761668 639063792 /nfs/dbraw/zinc/06/37/92/639063792.db2.gz VQGKWDPRLCNRQB-ATZCPNFKSA-N 1 2 235.287 0.349 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908761416 639063943 /nfs/dbraw/zinc/06/39/43/639063943.db2.gz SHRZCPCEIUFATN-SFLCEZBHSA-N 1 2 249.314 0.641 20 0 BCADLO C[C@@H](CC(=O)Nn1ccnn1)n1cc[nH+]c1 ZINC000908823623 639068204 /nfs/dbraw/zinc/06/82/04/639068204.db2.gz SLKQCUIEKMIOLD-QMMMGPOBSA-N 1 2 220.236 0.196 20 0 BCADLO CC[C@@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000909924468 639269336 /nfs/dbraw/zinc/26/93/36/639269336.db2.gz HRMMTKCCVSJANZ-LLVKDONJSA-N 1 2 226.276 0.977 20 0 BCADLO CC[C@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000909927390 639276320 /nfs/dbraw/zinc/27/63/20/639276320.db2.gz KGHKPWVSYJCCPQ-NSHDSACASA-N 1 2 226.276 0.667 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=CC1 ZINC000910015888 639332961 /nfs/dbraw/zinc/33/29/61/639332961.db2.gz OPEWOASMRKYJBW-SNVBAGLBSA-N 1 2 217.272 0.844 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000910921895 639539187 /nfs/dbraw/zinc/53/91/87/639539187.db2.gz HBBAHKWTBLYXQP-WVSHTKLVSA-N 1 2 235.287 0.523 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000911188992 639591179 /nfs/dbraw/zinc/59/11/79/639591179.db2.gz TUXAJMDMDDPIMN-PSASIEDQSA-N 1 2 223.276 0.324 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(CO)ccn1 ZINC000911240123 639599932 /nfs/dbraw/zinc/59/99/32/639599932.db2.gz QHERAAGYUFONAC-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(CO)ccn1 ZINC000911240123 639599936 /nfs/dbraw/zinc/59/99/36/639599936.db2.gz QHERAAGYUFONAC-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930221734 639640560 /nfs/dbraw/zinc/64/05/60/639640560.db2.gz KXBGOSNEUWBKJJ-RKDXNWHRSA-N 1 2 209.249 0.034 20 0 BCADLO CC[C@@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000930223051 639640811 /nfs/dbraw/zinc/64/08/11/639640811.db2.gz UFLOWZIRKDQEEB-SNVBAGLBSA-N 1 2 211.265 0.160 20 0 BCADLO O[C@@H](C[N@@H+]1Cc2cccnc2C1)C1(O)CCC1 ZINC000930308591 639695705 /nfs/dbraw/zinc/69/57/05/639695705.db2.gz YQDXNXZFGAFLCK-LBPRGKRZSA-N 1 2 234.299 0.673 20 0 BCADLO O[C@@H](C[N@H+]1Cc2cccnc2C1)C1(O)CCC1 ZINC000930308591 639695717 /nfs/dbraw/zinc/69/57/17/639695717.db2.gz YQDXNXZFGAFLCK-LBPRGKRZSA-N 1 2 234.299 0.673 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000930360566 639729828 /nfs/dbraw/zinc/72/98/28/639729828.db2.gz MOKDAASLKMLYHH-YOOZJCNJSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CC[C@](F)(CO)C1 ZINC000930360566 639729835 /nfs/dbraw/zinc/72/98/35/639729835.db2.gz MOKDAASLKMLYHH-YOOZJCNJSA-N 1 2 231.267 0.512 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CO)n1 ZINC000930474920 639772094 /nfs/dbraw/zinc/77/20/94/639772094.db2.gz BZFWJPDMIFONGR-ZJUUUORDSA-N 1 2 241.291 0.258 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)CO)n1 ZINC000930474920 639772095 /nfs/dbraw/zinc/77/20/95/639772095.db2.gz BZFWJPDMIFONGR-ZJUUUORDSA-N 1 2 241.291 0.258 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CCCN(C=O)CC1 ZINC000930536623 639804874 /nfs/dbraw/zinc/80/48/74/639804874.db2.gz SKLWFTAXZCJNJN-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CCCN(C=O)CC1 ZINC000930536623 639804876 /nfs/dbraw/zinc/80/48/76/639804876.db2.gz SKLWFTAXZCJNJN-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000930614089 639822217 /nfs/dbraw/zinc/82/22/17/639822217.db2.gz DJCRYMJOGUIETL-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000930614089 639822219 /nfs/dbraw/zinc/82/22/19/639822219.db2.gz DJCRYMJOGUIETL-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cn(CC)nn1 ZINC000930659979 639849927 /nfs/dbraw/zinc/84/99/27/639849927.db2.gz BYOJSDWLZQZHNX-GHMZBOCLSA-N 1 2 240.307 0.192 20 0 BCADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000911890621 639869960 /nfs/dbraw/zinc/86/99/60/639869960.db2.gz BLYCFTMUYKZONT-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO NS(=O)(=O)C1C[NH+](CCC2CCC2)C1 ZINC000930734391 639883382 /nfs/dbraw/zinc/88/33/82/639883382.db2.gz FHIMEARWWBZAIA-UHFFFAOYSA-N 1 2 218.322 0.149 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930737935 639885210 /nfs/dbraw/zinc/88/52/10/639885210.db2.gz LAFQXTYHNCTPKZ-NXEZZACHSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930737935 639885214 /nfs/dbraw/zinc/88/52/14/639885214.db2.gz LAFQXTYHNCTPKZ-NXEZZACHSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930737938 639885370 /nfs/dbraw/zinc/88/53/70/639885370.db2.gz LAFQXTYHNCTPKZ-VHSXEESVSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930737938 639885374 /nfs/dbraw/zinc/88/53/74/639885374.db2.gz LAFQXTYHNCTPKZ-VHSXEESVSA-N 1 2 201.266 0.047 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]1CO ZINC000911945329 639891735 /nfs/dbraw/zinc/89/17/35/639891735.db2.gz HAXADMOMNRCAAY-NSHDSACASA-N 1 2 237.303 0.716 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@@H](CC)CO)C1 ZINC000930761749 639903171 /nfs/dbraw/zinc/90/31/71/639903171.db2.gz QUULJYGBRUDMPP-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@@H](CC)CO)C1 ZINC000930761749 639903185 /nfs/dbraw/zinc/90/31/85/639903185.db2.gz QUULJYGBRUDMPP-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(C)=O ZINC000156006618 639950153 /nfs/dbraw/zinc/95/01/53/639950153.db2.gz OIDWVNSTLUPNJN-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(C)=O ZINC000156006618 639950157 /nfs/dbraw/zinc/95/01/57/639950157.db2.gz OIDWVNSTLUPNJN-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@H+](C)CCN1CCCCC1 ZINC000930864079 639957858 /nfs/dbraw/zinc/95/78/58/639957858.db2.gz KHLQNDQWIOYLSH-NEPJUHHUSA-N 1 2 230.352 0.146 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@@H+](C)CCN1CCCCC1 ZINC000930864079 639957863 /nfs/dbraw/zinc/95/78/63/639957863.db2.gz KHLQNDQWIOYLSH-NEPJUHHUSA-N 1 2 230.352 0.146 20 0 BCADLO CC1(C)C[C@](C)([NH2+]CCCO)C(=O)O1 ZINC000930873070 639963911 /nfs/dbraw/zinc/96/39/11/639963911.db2.gz BXBJFJHGAMYHTR-JTQLQIEISA-N 1 2 201.266 0.443 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912185441 639988588 /nfs/dbraw/zinc/98/85/88/639988588.db2.gz RWYZOVCOLOCYMO-LLVKDONJSA-N 1 2 247.298 0.922 20 0 BCADLO CC[N@H+](C[C@@H](O)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000930919214 639989358 /nfs/dbraw/zinc/98/93/58/639989358.db2.gz IXVOZPLDGHRSCB-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO CC[N@@H+](C[C@@H](O)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000930919214 639989366 /nfs/dbraw/zinc/98/93/66/639989366.db2.gz IXVOZPLDGHRSCB-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H](C)[C@H]1O ZINC000930995224 640013866 /nfs/dbraw/zinc/01/38/66/640013866.db2.gz HKAYTZSVMAXFFU-MBTKJCJQSA-N 1 2 227.333 0.987 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncs2)C[C@H](C)[C@H]1O ZINC000930995224 640013871 /nfs/dbraw/zinc/01/38/71/640013871.db2.gz HKAYTZSVMAXFFU-MBTKJCJQSA-N 1 2 227.333 0.987 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)C1CCC1 ZINC000912296919 640018312 /nfs/dbraw/zinc/01/83/12/640018312.db2.gz NHARVLKAMLWFNI-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO Cn1cc(C[N@H+](C)CCOC2CC2)nn1 ZINC000931015575 640021391 /nfs/dbraw/zinc/02/13/91/640021391.db2.gz FMKHALKNSLKUHQ-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOC2CC2)nn1 ZINC000931015575 640021395 /nfs/dbraw/zinc/02/13/95/640021395.db2.gz FMKHALKNSLKUHQ-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CCC3(COC3)O2)CCO1 ZINC000931035304 640028607 /nfs/dbraw/zinc/02/86/07/640028607.db2.gz JLFGFNCOIZYIBZ-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC3(COC3)O2)CCO1 ZINC000931035304 640028614 /nfs/dbraw/zinc/02/86/14/640028614.db2.gz JLFGFNCOIZYIBZ-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO COCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136166 640071854 /nfs/dbraw/zinc/07/18/54/640071854.db2.gz MJJVVCFNPMRBBQ-VIFPVBQESA-N 1 2 210.281 0.978 20 0 BCADLO COCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136166 640071860 /nfs/dbraw/zinc/07/18/60/640071860.db2.gz MJJVVCFNPMRBBQ-VIFPVBQESA-N 1 2 210.281 0.978 20 0 BCADLO CNC(=O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931137897 640072939 /nfs/dbraw/zinc/07/29/39/640072939.db2.gz TZJNULGBLPSHPV-QMMMGPOBSA-N 1 2 223.280 0.078 20 0 BCADLO CNC(=O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931137897 640072944 /nfs/dbraw/zinc/07/29/44/640072944.db2.gz TZJNULGBLPSHPV-QMMMGPOBSA-N 1 2 223.280 0.078 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140743 640074420 /nfs/dbraw/zinc/07/44/20/640074420.db2.gz WTWKHEJQXWQHKO-UWVGGRQHSA-N 1 2 249.318 0.468 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140743 640074427 /nfs/dbraw/zinc/07/44/27/640074427.db2.gz WTWKHEJQXWQHKO-UWVGGRQHSA-N 1 2 249.318 0.468 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)[nH]1 ZINC000931193520 640096160 /nfs/dbraw/zinc/09/61/60/640096160.db2.gz BSXUKKZWYLRPTN-UHFFFAOYSA-N 1 2 248.290 0.111 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)[nH]1 ZINC000931193520 640096164 /nfs/dbraw/zinc/09/61/64/640096164.db2.gz BSXUKKZWYLRPTN-UHFFFAOYSA-N 1 2 248.290 0.111 20 0 BCADLO Cc1ncc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)o1 ZINC000931191234 640096977 /nfs/dbraw/zinc/09/69/77/640096977.db2.gz PNYQBACLHJOPGZ-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO Cc1ncc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)o1 ZINC000931191234 640096983 /nfs/dbraw/zinc/09/69/83/640096983.db2.gz PNYQBACLHJOPGZ-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO CC[C@@H]1C[C@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931233084 640104926 /nfs/dbraw/zinc/10/49/26/640104926.db2.gz DIQQPLVQMQNRCO-BDAKNGLRSA-N 1 2 217.334 0.761 20 0 BCADLO CC[C@@H]1C[C@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931233084 640104931 /nfs/dbraw/zinc/10/49/31/640104931.db2.gz DIQQPLVQMQNRCO-BDAKNGLRSA-N 1 2 217.334 0.761 20 0 BCADLO C[N@H+](CCC1CC1)C1CS(=O)(=O)C1 ZINC000931235155 640108571 /nfs/dbraw/zinc/10/85/71/640108571.db2.gz UXIMSSCHQSSLFV-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO C[N@@H+](CCC1CC1)C1CS(=O)(=O)C1 ZINC000931235155 640108578 /nfs/dbraw/zinc/10/85/78/640108578.db2.gz UXIMSSCHQSSLFV-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)CC1CC1 ZINC000912524186 640111748 /nfs/dbraw/zinc/11/17/48/640111748.db2.gz WYCLAEXEESZOJW-JTQLQIEISA-N 1 2 237.303 0.477 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000931257673 640119364 /nfs/dbraw/zinc/11/93/64/640119364.db2.gz GTELAOTUSUBLLO-LLVKDONJSA-N 1 2 249.314 0.065 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000931257673 640119371 /nfs/dbraw/zinc/11/93/71/640119371.db2.gz GTELAOTUSUBLLO-LLVKDONJSA-N 1 2 249.314 0.065 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584696 640121520 /nfs/dbraw/zinc/12/15/20/640121520.db2.gz SDIAREWMUATMTA-QZWDGIGVSA-N 1 2 221.260 0.381 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584577 640122814 /nfs/dbraw/zinc/12/28/14/640122814.db2.gz PZJSAEDZTVVYBJ-KKZNHRDASA-N 1 2 237.303 0.851 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000156076749 640137684 /nfs/dbraw/zinc/13/76/84/640137684.db2.gz PMRQBMODOBJDAB-ZJUUUORDSA-N 1 2 235.349 0.719 20 0 BCADLO CC(=O)CC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000156076749 640137691 /nfs/dbraw/zinc/13/76/91/640137691.db2.gz PMRQBMODOBJDAB-ZJUUUORDSA-N 1 2 235.349 0.719 20 0 BCADLO C/C(Cl)=C\C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912611233 640136254 /nfs/dbraw/zinc/13/62/54/640136254.db2.gz ABIBBZGXMCHKJR-HOOMWESVSA-N 1 2 243.694 0.712 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)/C=C\C1CC1 ZINC000912613398 640136397 /nfs/dbraw/zinc/13/63/97/640136397.db2.gz BDCKXLHYUSDQSD-UMCURTJPSA-N 1 2 235.287 0.536 20 0 BCADLO CC/C=C(/F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912612779 640136730 /nfs/dbraw/zinc/13/67/30/640136730.db2.gz QZJIEYHJRCBAFY-SGDMMICCSA-N 1 2 241.266 0.833 20 0 BCADLO C/C(Cl)=C/C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912611235 640138340 /nfs/dbraw/zinc/13/83/40/640138340.db2.gz ABIBBZGXMCHKJR-PFPYCLJUSA-N 1 2 243.694 0.712 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCC(O)CC1 ZINC000912684262 640162248 /nfs/dbraw/zinc/16/22/48/640162248.db2.gz USWTYPOQQUPREJ-UHFFFAOYSA-N 1 2 237.303 0.620 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nnc(OC)s1 ZINC000931382943 640171795 /nfs/dbraw/zinc/17/17/95/640171795.db2.gz CISJVPFXFAYFHM-VIFPVBQESA-N 1 2 247.320 0.034 20 0 BCADLO CC(C)CC[C@H](O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931400417 640179282 /nfs/dbraw/zinc/17/92/82/640179282.db2.gz YKHFCUUWZFHOBX-OLZOCXBDSA-N 1 2 244.379 0.392 20 0 BCADLO CC(C)CC[C@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931400417 640179289 /nfs/dbraw/zinc/17/92/89/640179289.db2.gz YKHFCUUWZFHOBX-OLZOCXBDSA-N 1 2 244.379 0.392 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457431 640211973 /nfs/dbraw/zinc/21/19/73/640211973.db2.gz JNLJZWHKGRSERJ-CBAPKCEASA-N 1 2 220.276 0.217 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457431 640211975 /nfs/dbraw/zinc/21/19/75/640211975.db2.gz JNLJZWHKGRSERJ-CBAPKCEASA-N 1 2 220.276 0.217 20 0 BCADLO C[C@H]1C[N@H+](CC[S@@](C)=O)Cc2c[nH]nc21 ZINC000931461000 640219435 /nfs/dbraw/zinc/21/94/35/640219435.db2.gz PKNZSTBOQJIWTH-VXJOIVPMSA-N 1 2 227.333 0.707 20 0 BCADLO C[C@H]1C[N@@H+](CC[S@@](C)=O)Cc2c[nH]nc21 ZINC000931461000 640219440 /nfs/dbraw/zinc/21/94/40/640219440.db2.gz PKNZSTBOQJIWTH-VXJOIVPMSA-N 1 2 227.333 0.707 20 0 BCADLO Cn1nnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000912835228 640223409 /nfs/dbraw/zinc/22/34/09/640223409.db2.gz OYWADUBIBZQXQP-ZETCQYMHSA-N 1 2 238.295 0.021 20 0 BCADLO Cn1nnc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000912835228 640223414 /nfs/dbraw/zinc/22/34/14/640223414.db2.gz OYWADUBIBZQXQP-ZETCQYMHSA-N 1 2 238.295 0.021 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CCCOC1 ZINC000912974675 640259223 /nfs/dbraw/zinc/25/92/23/640259223.db2.gz VIOOOVVYMDBSRG-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@@H]2C[C@@H]2C1 ZINC000912983569 640261392 /nfs/dbraw/zinc/26/13/92/640261392.db2.gz CUESRKQRBNXUHX-AOOOYVTPSA-N 1 2 217.272 0.972 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)CCC(N)=O)CCN2 ZINC000913177622 640318695 /nfs/dbraw/zinc/31/86/95/640318695.db2.gz YCRAYONXIKAPRM-UHFFFAOYSA-N 1 2 248.286 0.414 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000931698919 640322444 /nfs/dbraw/zinc/32/24/44/640322444.db2.gz QKSYCBHGNFYOKW-JTQLQIEISA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000931698919 640322451 /nfs/dbraw/zinc/32/24/51/640322451.db2.gz QKSYCBHGNFYOKW-JTQLQIEISA-N 1 2 243.253 0.676 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CCCn2nncc2C1 ZINC000931745138 640343841 /nfs/dbraw/zinc/34/38/41/640343841.db2.gz XYTNTWCHWIEGRC-UHFFFAOYSA-N 1 2 246.318 0.726 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CCCn2nncc2C1 ZINC000931745138 640343845 /nfs/dbraw/zinc/34/38/45/640343845.db2.gz XYTNTWCHWIEGRC-UHFFFAOYSA-N 1 2 246.318 0.726 20 0 BCADLO CC[C@H](CO)[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000931756634 640353396 /nfs/dbraw/zinc/35/33/96/640353396.db2.gz LAWVKEZARIVNGE-OUAUKWLOSA-N 1 2 245.319 0.458 20 0 BCADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)CC(F)F ZINC000913350440 640358273 /nfs/dbraw/zinc/35/82/73/640358273.db2.gz JYBHPPVOZWPWMY-UHFFFAOYSA-N 1 2 246.261 0.265 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2CC23CCC3)C[C@H]1CO ZINC000913547345 640386568 /nfs/dbraw/zinc/38/65/68/640386568.db2.gz MGUBFANHARPOHL-WDEREUQCSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2CC23CCC3)C[C@H]1CO ZINC000913547345 640386573 /nfs/dbraw/zinc/38/65/73/640386573.db2.gz MGUBFANHARPOHL-WDEREUQCSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1CO ZINC000913543520 640390902 /nfs/dbraw/zinc/39/09/02/640390902.db2.gz KAVKRMBQNQJTAG-CIUDSAMLSA-N 1 2 248.273 0.023 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1CO ZINC000913543520 640390912 /nfs/dbraw/zinc/39/09/12/640390912.db2.gz KAVKRMBQNQJTAG-CIUDSAMLSA-N 1 2 248.273 0.023 20 0 BCADLO Cc1c[nH]cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552862 640399800 /nfs/dbraw/zinc/39/98/00/640399800.db2.gz YJGVLBPBLNJMSY-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cc1c[nH]cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552862 640399805 /nfs/dbraw/zinc/39/98/05/640399805.db2.gz YJGVLBPBLNJMSY-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000932137300 640438297 /nfs/dbraw/zinc/43/82/97/640438297.db2.gz ZGBSZVGDMGTNTI-ZYHUDNBSSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000932137300 640438304 /nfs/dbraw/zinc/43/83/04/640438304.db2.gz ZGBSZVGDMGTNTI-ZYHUDNBSSA-N 1 2 249.314 0.915 20 0 BCADLO Cc1nnc(C[N@@H+]2CCO[C@@H](C)CC2)o1 ZINC000932338603 640475523 /nfs/dbraw/zinc/47/55/23/640475523.db2.gz CAZBIXORKDCDDR-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCO[C@@H](C)CC2)o1 ZINC000932338603 640475526 /nfs/dbraw/zinc/47/55/26/640475526.db2.gz CAZBIXORKDCDDR-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cc(C)no1 ZINC000044991823 640482366 /nfs/dbraw/zinc/48/23/66/640482366.db2.gz CCSAGKAGBMUCSU-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1cc(C)no1 ZINC000044991330 640482388 /nfs/dbraw/zinc/48/23/88/640482388.db2.gz QDWGLHSTCOPQHD-UHFFFAOYSA-N 1 2 232.305 0.507 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn(C)nn2)CCO1 ZINC000932346174 640488257 /nfs/dbraw/zinc/48/82/57/640488257.db2.gz GTIIOMLFQUPWFM-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn(C)nn2)CCO1 ZINC000932346174 640488261 /nfs/dbraw/zinc/48/82/61/640488261.db2.gz GTIIOMLFQUPWFM-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932351493 640494468 /nfs/dbraw/zinc/49/44/68/640494468.db2.gz YRYRMKKOSMYDOW-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCO[C@@H](C)CC1 ZINC000932351493 640494472 /nfs/dbraw/zinc/49/44/72/640494472.db2.gz YRYRMKKOSMYDOW-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO O=C1NCCC[C@H]1[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358117 640499368 /nfs/dbraw/zinc/49/93/68/640499368.db2.gz VJESWHQUUFPIJF-MNOVXSKESA-N 1 2 246.314 0.796 20 0 BCADLO O=C(C[NH2+][C@H](c1ncccn1)C1CC1)NC1CC1 ZINC000932368647 640500445 /nfs/dbraw/zinc/50/04/45/640500445.db2.gz SRJACTBTQBXMMU-LBPRGKRZSA-N 1 2 246.314 0.796 20 0 BCADLO CCn1nccc1C[NH2+]Cc1cnc[nH]1 ZINC000164849815 640510822 /nfs/dbraw/zinc/51/08/22/640510822.db2.gz SAUAOZICSLLHDK-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO O=C(NC1C[NH+](CC[C@@H]2CCCO2)C1)C(F)F ZINC001030036825 640527353 /nfs/dbraw/zinc/52/73/53/640527353.db2.gz BBMPGUWRJXLHGV-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030039604 640530929 /nfs/dbraw/zinc/53/09/29/640530929.db2.gz IPBQSFHMJMJJLA-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO O=C(NC1C[NH+](CCn2cccn2)C1)C1CC1 ZINC001030040791 640536196 /nfs/dbraw/zinc/53/61/96/640536196.db2.gz ZCVBHPRBHVDMJY-UHFFFAOYSA-N 1 2 234.303 0.094 20 0 BCADLO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)ncn1 ZINC000932475344 640543295 /nfs/dbraw/zinc/54/32/95/640543295.db2.gz NKUSARMPWUJWSB-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030055580 640553227 /nfs/dbraw/zinc/55/32/27/640553227.db2.gz FQHKWDXSWYIFNC-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO O=C(Cc1ccsc1)NC1C[NH+](CCO)C1 ZINC001030071929 640575928 /nfs/dbraw/zinc/57/59/28/640575928.db2.gz SNVSPKSATLHBNR-UHFFFAOYSA-N 1 2 240.328 0.083 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030069443 640576026 /nfs/dbraw/zinc/57/60/26/640576026.db2.gz IBWLCRKVHBNLMR-CABZTGNLSA-N 1 2 248.330 0.377 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)c1 ZINC001030074895 640577311 /nfs/dbraw/zinc/57/73/11/640577311.db2.gz ZBWONBUMYFUFEQ-NSHDSACASA-N 1 2 248.326 0.790 20 0 BCADLO CC(=O)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000157151598 640578426 /nfs/dbraw/zinc/57/84/26/640578426.db2.gz FKTVRHLECNRIBI-JTQLQIEISA-N 1 2 222.292 0.931 20 0 BCADLO CC(=O)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000157151598 640578430 /nfs/dbraw/zinc/57/84/30/640578430.db2.gz FKTVRHLECNRIBI-JTQLQIEISA-N 1 2 222.292 0.931 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001030073705 640578833 /nfs/dbraw/zinc/57/88/33/640578833.db2.gz LAIPPONQDKNPLW-WCBMZHEXSA-N 1 2 212.293 0.089 20 0 BCADLO O=C(CC1CCCCC1)NC1C[NH+](CCO)C1 ZINC001030087359 640585622 /nfs/dbraw/zinc/58/56/22/640585622.db2.gz NPLLEFVZRYCZIF-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CC3CC3)C2)on1 ZINC001030095860 640589921 /nfs/dbraw/zinc/58/99/21/640589921.db2.gz KLWVBIXQAMSQII-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO CCc1cc(C(=O)NC2C[NH+](CC)C2)[nH]n1 ZINC001030119168 640610300 /nfs/dbraw/zinc/61/03/00/640610300.db2.gz PDIINCCXSKTCPQ-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@H]2CCCO2)C1 ZINC001030120958 640612140 /nfs/dbraw/zinc/61/21/40/640612140.db2.gz MDHMVCXOEMDHNC-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932814370 640613426 /nfs/dbraw/zinc/61/34/26/640613426.db2.gz DPLALWZXSHFJKO-UHFFFAOYSA-N 1 2 227.304 0.786 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccon1 ZINC001030131838 640622549 /nfs/dbraw/zinc/62/25/49/640622549.db2.gz CZMDSJWVWNTVJI-UHFFFAOYSA-N 1 2 227.239 0.448 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CCCF)C2)[nH]n1 ZINC001030134032 640626077 /nfs/dbraw/zinc/62/60/77/640626077.db2.gz CRPBBDAATQTNIG-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cnsn1 ZINC001030134468 640626687 /nfs/dbraw/zinc/62/66/87/640626687.db2.gz NHRGWQHWNZERII-UHFFFAOYSA-N 1 2 244.295 0.312 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccnn2C)C1 ZINC001030146833 640631603 /nfs/dbraw/zinc/63/16/03/640631603.db2.gz XIBNYZJNDBTVJO-UHFFFAOYSA-N 1 2 248.330 0.800 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CCOC1 ZINC001030145412 640632415 /nfs/dbraw/zinc/63/24/15/640632415.db2.gz IVPUUVJENNDXER-SECBINFHSA-N 1 2 230.283 0.183 20 0 BCADLO Cc1ncc(C(=O)NC2C[NH+](CCCF)C2)[nH]1 ZINC001030160069 640643106 /nfs/dbraw/zinc/64/31/06/640643106.db2.gz NSMXSTVRZPJSNX-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1cnc(C[N@@H+]2C3CCC2(C(N)=O)CC3)cn1 ZINC000932930178 640645285 /nfs/dbraw/zinc/64/52/85/640645285.db2.gz WNASWLOFUQVOCH-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1cnc(C[N@H+]2C3CCC2(C(N)=O)CC3)cn1 ZINC000932930178 640645287 /nfs/dbraw/zinc/64/52/87/640645287.db2.gz WNASWLOFUQVOCH-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1oncc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935779 640648159 /nfs/dbraw/zinc/64/81/59/640648159.db2.gz XYBKAVJMTRVFCN-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO Cc1oncc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935779 640648164 /nfs/dbraw/zinc/64/81/64/640648164.db2.gz XYBKAVJMTRVFCN-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO CCn1cc(C(=O)NC2C[NH+](CC)C2)cn1 ZINC001030167447 640650891 /nfs/dbraw/zinc/65/08/91/640650891.db2.gz IQOQLCHCYNOQRL-UHFFFAOYSA-N 1 2 222.292 0.337 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCn1cccn1 ZINC000933159905 640672736 /nfs/dbraw/zinc/67/27/36/640672736.db2.gz NYQMYYGUKKVWCZ-YPMHNXCESA-N 1 2 249.314 0.911 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCn1cccn1 ZINC000933159905 640672741 /nfs/dbraw/zinc/67/27/41/640672741.db2.gz NYQMYYGUKKVWCZ-YPMHNXCESA-N 1 2 249.314 0.911 20 0 BCADLO CC[NH+]1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC001030201360 640676510 /nfs/dbraw/zinc/67/65/10/640676510.db2.gz NNIIRLBXHSPPGC-UHFFFAOYSA-N 1 2 218.247 0.852 20 0 BCADLO Cc1cccnc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030199856 640676767 /nfs/dbraw/zinc/67/67/67/640676767.db2.gz KJAOQIZZJWPZFA-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO CC1CC(C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030202383 640678694 /nfs/dbraw/zinc/67/86/94/640678694.db2.gz JJPHSHHZNFREIE-UHFFFAOYSA-N 1 2 226.320 0.215 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030203474 640679494 /nfs/dbraw/zinc/67/94/94/640679494.db2.gz YQCROWMSTVTETO-HSOILSAZSA-N 1 2 240.347 0.868 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933201875 640680915 /nfs/dbraw/zinc/68/09/15/640680915.db2.gz FEQKYCRIIVXUAW-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933201875 640680921 /nfs/dbraw/zinc/68/09/21/640680921.db2.gz FEQKYCRIIVXUAW-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213942 640683386 /nfs/dbraw/zinc/68/33/86/640683386.db2.gz UAFPFVYXCASKDT-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213942 640683388 /nfs/dbraw/zinc/68/33/88/640683388.db2.gz UAFPFVYXCASKDT-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc(F)c2)C1 ZINC001030210943 640686317 /nfs/dbraw/zinc/68/63/17/640686317.db2.gz YDDNBAREYNJFFU-UHFFFAOYSA-N 1 2 223.251 0.655 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CCCCO2)C1 ZINC001030219960 640690800 /nfs/dbraw/zinc/69/08/00/640690800.db2.gz YMEZHNBZSPYLAL-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(OC)OC)C2 ZINC000933259325 640691279 /nfs/dbraw/zinc/69/12/79/640691279.db2.gz OJQDIBVZGWPMTG-UHFFFAOYSA-N 1 2 239.319 0.880 20 0 BCADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cnn[nH]1 ZINC000933286859 640697817 /nfs/dbraw/zinc/69/78/17/640697817.db2.gz QXRNIPFXAZWDBZ-SECBINFHSA-N 1 2 237.307 0.199 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCC(=O)OC(C)C ZINC000933337817 640705913 /nfs/dbraw/zinc/70/59/13/640705913.db2.gz XKMYPYHDVBRLBU-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCC(=O)OC(C)C ZINC000933337817 640705917 /nfs/dbraw/zinc/70/59/17/640705917.db2.gz XKMYPYHDVBRLBU-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030279025 640724708 /nfs/dbraw/zinc/72/47/08/640724708.db2.gz DIMDAYQRBPDCJS-QMMMGPOBSA-N 1 2 234.246 0.088 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030353777 640783489 /nfs/dbraw/zinc/78/34/89/640783489.db2.gz SXCJBGCTFNHGSF-SECBINFHSA-N 1 2 237.303 0.464 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001030361696 640788421 /nfs/dbraw/zinc/78/84/21/640788421.db2.gz YJGAXFOTCUMGCQ-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO FC(F)OCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933961422 640795034 /nfs/dbraw/zinc/79/50/34/640795034.db2.gz MXFSHSYWUBEUGP-DTWKUNHWSA-N 1 2 237.246 0.715 20 0 BCADLO FC(F)OCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933961422 640795035 /nfs/dbraw/zinc/79/50/35/640795035.db2.gz MXFSHSYWUBEUGP-DTWKUNHWSA-N 1 2 237.246 0.715 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cn(C)cn1 ZINC000933993724 640801366 /nfs/dbraw/zinc/80/13/66/640801366.db2.gz OJTZJOJMNMHVDC-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)Nc1ccc(O)cc1 ZINC000934027866 640807714 /nfs/dbraw/zinc/80/77/14/640807714.db2.gz LUJIXQPKUMXBTL-JTQLQIEISA-N 1 2 236.271 0.397 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)Nc1ccc(O)cc1 ZINC000934027866 640807717 /nfs/dbraw/zinc/80/77/17/640807717.db2.gz LUJIXQPKUMXBTL-JTQLQIEISA-N 1 2 236.271 0.397 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC001030381053 640808024 /nfs/dbraw/zinc/80/80/24/640808024.db2.gz DRUGZKAAGHIBQH-NSHDSACASA-N 1 2 248.326 0.466 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)Nc1ccc(O)cc1 ZINC000934027867 640808940 /nfs/dbraw/zinc/80/89/40/640808940.db2.gz LUJIXQPKUMXBTL-SNVBAGLBSA-N 1 2 236.271 0.397 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)Nc1ccc(O)cc1 ZINC000934027867 640808945 /nfs/dbraw/zinc/80/89/45/640808945.db2.gz LUJIXQPKUMXBTL-SNVBAGLBSA-N 1 2 236.271 0.397 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001030385549 640810543 /nfs/dbraw/zinc/81/05/43/640810543.db2.gz JBOZWFLUAPZFDU-UHFFFAOYSA-N 1 2 248.330 0.731 20 0 BCADLO CNc1cc(N2CC[C@@H](NC(C)=O)C2)nc[nH+]1 ZINC000228348371 640871680 /nfs/dbraw/zinc/87/16/80/640871680.db2.gz HPZDBERFHBUPAL-SECBINFHSA-N 1 2 235.291 0.233 20 0 BCADLO CNc1cc(N2CC[C@@H](NC(C)=O)C2)[nH+]cn1 ZINC000228348371 640871681 /nfs/dbraw/zinc/87/16/81/640871681.db2.gz HPZDBERFHBUPAL-SECBINFHSA-N 1 2 235.291 0.233 20 0 BCADLO CC[NH+]1CC(NC(=O)C2(C3CC3)CC2)C1 ZINC001030489901 640878587 /nfs/dbraw/zinc/87/85/87/640878587.db2.gz FMSMMUKMKFUKLM-UHFFFAOYSA-N 1 2 208.305 0.997 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001030499824 640886608 /nfs/dbraw/zinc/88/66/08/640886608.db2.gz ATSRCWDBGANOFD-VIFPVBQESA-N 1 2 248.273 0.479 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCC12CC2 ZINC001030518498 640894286 /nfs/dbraw/zinc/89/42/86/640894286.db2.gz CBRSNQIHQRVLLV-LLVKDONJSA-N 1 2 238.331 0.359 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001030563527 640917210 /nfs/dbraw/zinc/91/72/10/640917210.db2.gz UMBJLKVMBYJXPV-MVWJERBFSA-N 1 2 238.331 0.215 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001030563526 640917422 /nfs/dbraw/zinc/91/74/22/640917422.db2.gz UMBJLKVMBYJXPV-JLLWLGSASA-N 1 2 238.331 0.215 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000170739797 640918210 /nfs/dbraw/zinc/91/82/10/640918210.db2.gz HOBWUZVYLMJTMA-LLVKDONJSA-N 1 2 246.376 0.201 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000170739797 640918216 /nfs/dbraw/zinc/91/82/16/640918216.db2.gz HOBWUZVYLMJTMA-LLVKDONJSA-N 1 2 246.376 0.201 20 0 BCADLO CCCCOC(=O)C[N@H+](C)CCC(=O)NC ZINC000170820702 640926926 /nfs/dbraw/zinc/92/69/26/640926926.db2.gz YMYLKRITELKLMD-UHFFFAOYSA-N 1 2 230.308 0.398 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)CCC(=O)NC ZINC000170820702 640926931 /nfs/dbraw/zinc/92/69/31/640926931.db2.gz YMYLKRITELKLMD-UHFFFAOYSA-N 1 2 230.308 0.398 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030601723 640949039 /nfs/dbraw/zinc/94/90/39/640949039.db2.gz XXZYNTWQXQPRGV-UHFFFAOYSA-N 1 2 223.280 0.019 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2cnn[nH]2)C1 ZINC001030601723 640949045 /nfs/dbraw/zinc/94/90/45/640949045.db2.gz XXZYNTWQXQPRGV-UHFFFAOYSA-N 1 2 223.280 0.019 20 0 BCADLO COC[C@@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000230158621 641033840 /nfs/dbraw/zinc/03/38/40/641033840.db2.gz YZAWBDCCTVADEB-UWVGGRQHSA-N 1 2 247.335 0.704 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001030651343 641053362 /nfs/dbraw/zinc/05/33/62/641053362.db2.gz XLPRAOBNFZMCLT-UHFFFAOYSA-N 1 2 248.330 0.836 20 0 BCADLO C[C@@H](Cc1cccnc1)[NH2+]Cc1c[nH]nn1 ZINC000934231428 641109255 /nfs/dbraw/zinc/10/92/55/641109255.db2.gz RUGYLEDEYVEKQH-VIFPVBQESA-N 1 2 217.276 0.921 20 0 BCADLO C[C@@H](Cc1cccnc1)[NH2+]Cc1cn[nH]n1 ZINC000934231428 641109261 /nfs/dbraw/zinc/10/92/61/641109261.db2.gz RUGYLEDEYVEKQH-VIFPVBQESA-N 1 2 217.276 0.921 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCOC12CCCC2 ZINC000934393614 641140069 /nfs/dbraw/zinc/14/00/69/641140069.db2.gz ZIROJABEZJUCAG-VHSXEESVSA-N 1 2 225.288 0.993 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnc(N)cn1 ZINC000231297876 641156063 /nfs/dbraw/zinc/15/60/63/641156063.db2.gz OYJKASMLKXJDCU-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(N)cn1 ZINC000231297876 641156066 /nfs/dbraw/zinc/15/60/66/641156066.db2.gz OYJKASMLKXJDCU-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000932972559 641165329 /nfs/dbraw/zinc/16/53/29/641165329.db2.gz FCUGJTHAXODRIK-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000932972559 641165335 /nfs/dbraw/zinc/16/53/35/641165335.db2.gz FCUGJTHAXODRIK-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000932972175 641169463 /nfs/dbraw/zinc/16/94/63/641169463.db2.gz DIPZLUYWUPOTDI-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000932972175 641169466 /nfs/dbraw/zinc/16/94/66/641169466.db2.gz DIPZLUYWUPOTDI-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO NC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934489872 641174280 /nfs/dbraw/zinc/17/42/80/641174280.db2.gz IDSPDNMHPNHXLJ-JTQLQIEISA-N 1 2 246.314 0.351 20 0 BCADLO NC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934489872 641174285 /nfs/dbraw/zinc/17/42/85/641174285.db2.gz IDSPDNMHPNHXLJ-JTQLQIEISA-N 1 2 246.314 0.351 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC(F)F)C[C@H]1F ZINC000934561722 641194729 /nfs/dbraw/zinc/19/47/29/641194729.db2.gz TUPXFDZSVBSUFN-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC(F)F)C[C@H]1F ZINC000934561722 641194735 /nfs/dbraw/zinc/19/47/35/641194735.db2.gz TUPXFDZSVBSUFN-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934565103 641195905 /nfs/dbraw/zinc/19/59/05/641195905.db2.gz AKKFALFDSCBYGT-NXEZZACHSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934565103 641195911 /nfs/dbraw/zinc/19/59/11/641195911.db2.gz AKKFALFDSCBYGT-NXEZZACHSA-N 1 2 233.283 0.734 20 0 BCADLO O[C@H]1CC[N@H+](Cc2ccncc2)C[C@H]1F ZINC000934576606 641206970 /nfs/dbraw/zinc/20/69/70/641206970.db2.gz RMEIWBXMRSWCSP-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1F ZINC000934576606 641206981 /nfs/dbraw/zinc/20/69/81/641206981.db2.gz RMEIWBXMRSWCSP-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CO ZINC000913558469 641222047 /nfs/dbraw/zinc/22/20/47/641222047.db2.gz PFUKARQNXSTYBC-LLVKDONJSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CO ZINC000913558469 641222060 /nfs/dbraw/zinc/22/20/60/641222060.db2.gz PFUKARQNXSTYBC-LLVKDONJSA-N 1 2 238.331 0.312 20 0 BCADLO CCC[C@@H](CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913558014 641223749 /nfs/dbraw/zinc/22/37/49/641223749.db2.gz HSNSJUIGQOCDFY-VXGBXAGGSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@@H](CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913558014 641223754 /nfs/dbraw/zinc/22/37/54/641223754.db2.gz HSNSJUIGQOCDFY-VXGBXAGGSA-N 1 2 242.363 0.948 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030699945 641283108 /nfs/dbraw/zinc/28/31/08/641283108.db2.gz QJDNPPFJMJPMJL-ONGXEEELSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001030701543 641288354 /nfs/dbraw/zinc/28/83/54/641288354.db2.gz VASWUXYROKLAEE-WCBMZHEXSA-N 1 2 212.293 0.232 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001030702704 641297507 /nfs/dbraw/zinc/29/75/07/641297507.db2.gz MBFQFHIEZBKXIN-LVEVGFFFSA-N 1 2 236.315 0.230 20 0 BCADLO CC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000934989010 641314240 /nfs/dbraw/zinc/31/42/40/641314240.db2.gz RBQWBJQKURSQFF-UHFFFAOYSA-N 1 2 231.255 0.770 20 0 BCADLO Cc1cccc(C(=O)C(=O)NCC[NH+]2CCC2)c1 ZINC000935045013 641325147 /nfs/dbraw/zinc/32/51/47/641325147.db2.gz CVPCISHOBXAQAZ-UHFFFAOYSA-N 1 2 246.310 1.000 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@H]2C)C1 ZINC001030731586 641327959 /nfs/dbraw/zinc/32/79/59/641327959.db2.gz DDKKKIGKLQYFRR-CABZTGNLSA-N 1 2 226.320 0.622 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000935090957 641333990 /nfs/dbraw/zinc/33/39/90/641333990.db2.gz TZFFHYCCTUKVKJ-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cnco2)C1 ZINC001030759833 641336503 /nfs/dbraw/zinc/33/65/03/641336503.db2.gz AQGRMBOERAFDFX-UHFFFAOYSA-N 1 2 209.249 0.499 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929520199 641343233 /nfs/dbraw/zinc/34/32/33/641343233.db2.gz PKZDIAYGMTZVGP-QMMMGPOBSA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929520199 641343236 /nfs/dbraw/zinc/34/32/36/641343236.db2.gz PKZDIAYGMTZVGP-QMMMGPOBSA-N 1 2 240.332 0.768 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801815 641358590 /nfs/dbraw/zinc/35/85/90/641358590.db2.gz FDGZIMGCWCAXGB-QXEWZRGKSA-N 1 2 226.320 0.478 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801692 641359154 /nfs/dbraw/zinc/35/91/54/641359154.db2.gz VTOXVIWQPDEIHW-QXEWZRGKSA-N 1 2 226.320 0.478 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001030816720 641365608 /nfs/dbraw/zinc/36/56/08/641365608.db2.gz IMSSGJQXIODPEW-SECBINFHSA-N 1 2 240.347 0.604 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001030817794 641366516 /nfs/dbraw/zinc/36/65/16/641366516.db2.gz CHASENWWMXYVDY-MYJAWHEDSA-N 1 2 208.305 0.853 20 0 BCADLO COCCOCc1noc([C@H](C)[NH+](C)C)n1 ZINC000350598318 641370286 /nfs/dbraw/zinc/37/02/86/641370286.db2.gz BORGBGXOFFBOCO-QMMMGPOBSA-N 1 2 229.280 0.855 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001030850906 641382579 /nfs/dbraw/zinc/38/25/79/641382579.db2.gz LBQRPIHRZAGVFT-ZJUUUORDSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030865364 641391467 /nfs/dbraw/zinc/39/14/67/641391467.db2.gz KXGZNQUVQGRTMZ-GHMZBOCLSA-N 1 2 240.347 0.605 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030898787 641409235 /nfs/dbraw/zinc/40/92/35/641409235.db2.gz WTRHBJMDAGBBJP-NXEZZACHSA-N 1 2 226.320 0.215 20 0 BCADLO CC(C)OCc1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000929706100 641410147 /nfs/dbraw/zinc/41/01/47/641410147.db2.gz KKWNQMCJAWCIAQ-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO CC(C)OCc1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000929706100 641410146 /nfs/dbraw/zinc/41/01/46/641410146.db2.gz KKWNQMCJAWCIAQ-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487575 641417507 /nfs/dbraw/zinc/41/75/07/641417507.db2.gz DSPAFURJBFJGCC-OPRDCNLKSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935485766 641417812 /nfs/dbraw/zinc/41/78/12/641417812.db2.gz DNEHMKLZINNRGM-JOYOIKCWSA-N 1 2 237.303 0.475 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030922153 641423584 /nfs/dbraw/zinc/42/35/84/641423584.db2.gz XNPBCGUXIJWTGR-MWLCHTKSSA-N 1 2 226.320 0.215 20 0 BCADLO Cc1n[nH]c(C(=O)NC23CC[NH+](CC2)C3)c1C ZINC000913629583 641431255 /nfs/dbraw/zinc/43/12/55/641431255.db2.gz DWBOOZATAXWSST-UHFFFAOYSA-N 1 2 234.303 0.605 20 0 BCADLO O=C(NC12CC[NH+](CC1)C2)c1[nH]ncc1F ZINC000913637889 641439914 /nfs/dbraw/zinc/43/99/14/641439914.db2.gz NYCZSADSVWQXAT-UHFFFAOYSA-N 1 2 224.239 0.127 20 0 BCADLO C[C@@H]1C[C@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913783825 641474636 /nfs/dbraw/zinc/47/46/36/641474636.db2.gz ULEQKOJIQYGYHZ-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO COC[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935862711 641496574 /nfs/dbraw/zinc/49/65/74/641496574.db2.gz KTJIUWCNISSBQU-SECBINFHSA-N 1 2 249.270 0.300 20 0 BCADLO O=C(NCCn1cc[nH+]c1)O[C@H]1CCOC1 ZINC000913854877 641504008 /nfs/dbraw/zinc/50/40/08/641504008.db2.gz VGAHQHHOLZHDBY-VIFPVBQESA-N 1 2 225.248 0.398 20 0 BCADLO O=C(NCCn1cc[nH+]c1)O[C@@H]1CCOC1 ZINC000913854876 641504801 /nfs/dbraw/zinc/50/48/01/641504801.db2.gz VGAHQHHOLZHDBY-SECBINFHSA-N 1 2 225.248 0.398 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001030962632 641527474 /nfs/dbraw/zinc/52/74/74/641527474.db2.gz BTPKSIXXGIRYRO-NSHDSACASA-N 1 2 245.326 0.617 20 0 BCADLO Cc1nnn(NC(=O)CCc2c[nH+]cn2C)c1C ZINC000914022058 641551064 /nfs/dbraw/zinc/55/10/64/641551064.db2.gz JQKURJYWCSUACA-UHFFFAOYSA-N 1 2 248.290 0.331 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCSC ZINC000152292706 641554989 /nfs/dbraw/zinc/55/49/89/641554989.db2.gz GJIVSMLVODZQOW-UHFFFAOYSA-N 1 2 225.379 0.716 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCSC ZINC000152292706 641554992 /nfs/dbraw/zinc/55/49/92/641554992.db2.gz GJIVSMLVODZQOW-UHFFFAOYSA-N 1 2 225.379 0.716 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001030984292 641564172 /nfs/dbraw/zinc/56/41/72/641564172.db2.gz PRCIVBCQQNNAIT-PSASIEDQSA-N 1 2 212.293 0.374 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001030985298 641564298 /nfs/dbraw/zinc/56/42/98/641564298.db2.gz YTWKFNHKPSPSNG-MXWKQRLJSA-N 1 2 224.304 0.374 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031007022 641584121 /nfs/dbraw/zinc/58/41/21/641584121.db2.gz AXQRCHBVWQITPY-GXSJLCMTSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)F)[C@H](C)[NH+]1CCOCC1 ZINC000156089467 641593612 /nfs/dbraw/zinc/59/36/12/641593612.db2.gz ZOIMLYWROPIMKO-ZJUUUORDSA-N 1 2 246.326 0.960 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031023081 641599645 /nfs/dbraw/zinc/59/96/45/641599645.db2.gz QZCWZMKMOZBYKK-JTQLQIEISA-N 1 2 208.305 0.997 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817962 641674619 /nfs/dbraw/zinc/67/46/19/641674619.db2.gz NHXPGAHVSZSBNA-JBLDHEPKSA-N 1 2 241.287 0.395 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817962 641674621 /nfs/dbraw/zinc/67/46/21/641674621.db2.gz NHXPGAHVSZSBNA-JBLDHEPKSA-N 1 2 241.287 0.395 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2nccn2C)CC1 ZINC000153219369 641735305 /nfs/dbraw/zinc/73/53/05/641735305.db2.gz LEDMIIWGTHEDLN-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000153410528 641781425 /nfs/dbraw/zinc/78/14/25/641781425.db2.gz LHOQLMHZZKYYMA-UHFFFAOYSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)c1cn(C[NH+]2C3CCC2CC3)nn1 ZINC000915202997 641807852 /nfs/dbraw/zinc/80/78/52/641807852.db2.gz JFXORMXVSBAAFU-UHFFFAOYSA-N 1 2 236.275 0.649 20 0 BCADLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000189648046 641815731 /nfs/dbraw/zinc/81/57/31/641815731.db2.gz UOYCZIGSESXGTF-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COCCO[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000189648046 641815734 /nfs/dbraw/zinc/81/57/34/641815734.db2.gz UOYCZIGSESXGTF-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031293385 641874347 /nfs/dbraw/zinc/87/43/47/641874347.db2.gz YMSJEHPQJZATJR-SECBINFHSA-N 1 2 228.336 0.868 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cscn1)[C@@H](C)CO ZINC000190853921 641891200 /nfs/dbraw/zinc/89/12/00/641891200.db2.gz UOHHSIIWLZNRSF-IUCAKERBSA-N 1 2 230.333 0.707 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cscn1)[C@@H](C)CO ZINC000190853921 641891204 /nfs/dbraw/zinc/89/12/04/641891204.db2.gz UOHHSIIWLZNRSF-IUCAKERBSA-N 1 2 230.333 0.707 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CF)C1 ZINC000916106090 641901285 /nfs/dbraw/zinc/90/12/85/641901285.db2.gz DLPGWWUTIJYIRW-MRVPVSSYSA-N 1 2 211.240 0.770 20 0 BCADLO CCN(C(=O)c1cncn1C)C1C[NH+](CC)C1 ZINC000950779410 641962246 /nfs/dbraw/zinc/96/22/46/641962246.db2.gz NBLQYACWSGSRGX-UHFFFAOYSA-N 1 2 236.319 0.586 20 0 BCADLO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CCC1=O ZINC000925430167 641964808 /nfs/dbraw/zinc/96/48/08/641964808.db2.gz OQFBOCUBCLKPDM-VHSXEESVSA-N 1 2 239.319 0.311 20 0 BCADLO C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCC1=O ZINC000925430167 641964812 /nfs/dbraw/zinc/96/48/12/641964812.db2.gz OQFBOCUBCLKPDM-VHSXEESVSA-N 1 2 239.319 0.311 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccnnc1 ZINC001015751477 641984313 /nfs/dbraw/zinc/98/43/13/641984313.db2.gz YDMXMAQKYVAXJP-SNVBAGLBSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccnnc1 ZINC001015751477 641984319 /nfs/dbraw/zinc/98/43/19/641984319.db2.gz YDMXMAQKYVAXJP-SNVBAGLBSA-N 1 2 238.266 0.250 20 0 BCADLO CCc1ncncc1C(=O)NC1C[NH+](CC)C1 ZINC001031397823 642069232 /nfs/dbraw/zinc/06/92/32/642069232.db2.gz PQXYEFKBYIIHDN-UHFFFAOYSA-N 1 2 234.303 0.473 20 0 BCADLO CC(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1 ZINC001031505257 642237255 /nfs/dbraw/zinc/23/72/55/642237255.db2.gz IZVYSWQWKMCZLD-SNVBAGLBSA-N 1 2 248.330 0.914 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccoc1 ZINC001031546832 642292466 /nfs/dbraw/zinc/29/24/66/642292466.db2.gz AMPFGVFDAFKIIO-UHFFFAOYSA-N 1 2 226.251 0.911 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccn[nH]1 ZINC001031558255 642301532 /nfs/dbraw/zinc/30/15/32/642301532.db2.gz CYLXKLMEKLVWAW-UHFFFAOYSA-N 1 2 226.255 0.041 20 0 BCADLO Cc1[nH]ccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031607115 642368402 /nfs/dbraw/zinc/36/84/02/642368402.db2.gz IVIAQBOZZYRWPZ-UHFFFAOYSA-N 1 2 239.294 0.954 20 0 BCADLO CS(=O)(=O)CC(=O)OCC[NH+]1CCCCC1 ZINC000919678110 642373494 /nfs/dbraw/zinc/37/34/94/642373494.db2.gz MPZQMZNWUOPXAO-UHFFFAOYSA-N 1 2 249.332 0.060 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCCCO1 ZINC001031617838 642391121 /nfs/dbraw/zinc/39/11/21/642391121.db2.gz RQLPECDSVWSYDS-NSHDSACASA-N 1 2 244.310 0.573 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933216412 642394674 /nfs/dbraw/zinc/39/46/74/642394674.db2.gz WOQQIDDCNRAVGG-GFCCVEGCSA-N 1 2 236.319 0.848 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933216412 642394680 /nfs/dbraw/zinc/39/46/80/642394680.db2.gz WOQQIDDCNRAVGG-GFCCVEGCSA-N 1 2 236.319 0.848 20 0 BCADLO CC[C@H](CO)Nc1cc(N(C)CCO)nc[nH+]1 ZINC000891398548 642465602 /nfs/dbraw/zinc/46/56/02/642465602.db2.gz CAMZNSZGBJOXAT-SECBINFHSA-N 1 2 240.307 0.088 20 0 BCADLO CC[C@H](CO)Nc1cc(N(C)CCO)[nH+]cn1 ZINC000891398548 642465604 /nfs/dbraw/zinc/46/56/04/642465604.db2.gz CAMZNSZGBJOXAT-SECBINFHSA-N 1 2 240.307 0.088 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC1(F)F ZINC001031656345 642477094 /nfs/dbraw/zinc/47/70/94/642477094.db2.gz ZCLSYHSEOYIRCF-QMMMGPOBSA-N 1 2 236.237 0.659 20 0 BCADLO CC[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000891413287 642493131 /nfs/dbraw/zinc/49/31/31/642493131.db2.gz OXWGOYRNPNBORA-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO CC[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000891413287 642493142 /nfs/dbraw/zinc/49/31/42/642493142.db2.gz OXWGOYRNPNBORA-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cc[nH]c1 ZINC001031692401 642592378 /nfs/dbraw/zinc/59/23/78/642592378.db2.gz VCSJUSNDHMCKDC-UHFFFAOYSA-N 1 2 225.267 0.646 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccoc1 ZINC000921412729 642614197 /nfs/dbraw/zinc/61/41/97/642614197.db2.gz UMJBPCCFDZTNKP-MRVPVSSYSA-N 1 2 230.289 0.262 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccoc1 ZINC000921412729 642614205 /nfs/dbraw/zinc/61/42/05/642614205.db2.gz UMJBPCCFDZTNKP-MRVPVSSYSA-N 1 2 230.289 0.262 20 0 BCADLO C#CCC[NH+]1CCN(S(=O)(=O)CCC)CC1 ZINC000064432477 642656273 /nfs/dbraw/zinc/65/62/73/642656273.db2.gz FYDDSHHMAYTHGM-UHFFFAOYSA-N 1 2 244.360 0.367 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC000965985252 642778427 /nfs/dbraw/zinc/77/84/27/642778427.db2.gz FRDPWZRHPRDTGB-OIBJUYFYSA-N 1 2 238.291 0.649 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001009784361 642837880 /nfs/dbraw/zinc/83/78/80/642837880.db2.gz CDLFKXJOEFXTMM-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001009784361 642837884 /nfs/dbraw/zinc/83/78/84/642837884.db2.gz CDLFKXJOEFXTMM-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC3)C2)n1 ZINC001009820918 642841432 /nfs/dbraw/zinc/84/14/32/642841432.db2.gz DBHOHFSBNZRYRX-NSHDSACASA-N 1 2 248.330 0.521 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC3)C2)n1 ZINC001009820918 642841435 /nfs/dbraw/zinc/84/14/35/642841435.db2.gz DBHOHFSBNZRYRX-NSHDSACASA-N 1 2 248.330 0.521 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cn[nH]c1 ZINC001010297569 642857305 /nfs/dbraw/zinc/85/73/05/642857305.db2.gz GRQKPDZCVKAXNP-SECBINFHSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cn[nH]c1 ZINC001010297569 642857308 /nfs/dbraw/zinc/85/73/08/642857308.db2.gz GRQKPDZCVKAXNP-SECBINFHSA-N 1 2 226.255 0.183 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)[nH]1 ZINC001010385584 642863322 /nfs/dbraw/zinc/86/33/22/642863322.db2.gz OUTNPGSCCZKWBC-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)[nH]1 ZINC001010385584 642863324 /nfs/dbraw/zinc/86/33/24/642863324.db2.gz OUTNPGSCCZKWBC-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCCCO1 ZINC001010639565 642870067 /nfs/dbraw/zinc/87/00/67/642870067.db2.gz MWKOSKWTVVGIIX-WDEREUQCSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@H]1CCCCO1 ZINC001010639565 642870076 /nfs/dbraw/zinc/87/00/76/642870076.db2.gz MWKOSKWTVVGIIX-WDEREUQCSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1COC2 ZINC001014487605 642889254 /nfs/dbraw/zinc/88/92/54/642889254.db2.gz VUEPEDKLRMAVLV-NHCYSSNCSA-N 1 2 242.294 0.183 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1COC2 ZINC001014487605 642889259 /nfs/dbraw/zinc/88/92/59/642889259.db2.gz VUEPEDKLRMAVLV-NHCYSSNCSA-N 1 2 242.294 0.183 20 0 BCADLO CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001014520510 642891283 /nfs/dbraw/zinc/89/12/83/642891283.db2.gz FTZNCNDMRJNYAW-SECBINFHSA-N 1 2 214.284 0.947 20 0 BCADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001014520510 642891285 /nfs/dbraw/zinc/89/12/85/642891285.db2.gz FTZNCNDMRJNYAW-SECBINFHSA-N 1 2 214.284 0.947 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015727352 642923085 /nfs/dbraw/zinc/92/30/85/642923085.db2.gz QVRPXBKIZVGVMF-MXWKQRLJSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015727352 642923089 /nfs/dbraw/zinc/92/30/89/642923089.db2.gz QVRPXBKIZVGVMF-MXWKQRLJSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015952617 642939822 /nfs/dbraw/zinc/93/98/22/642939822.db2.gz YSSQNOUFHJTHOU-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015952617 642939828 /nfs/dbraw/zinc/93/98/28/642939828.db2.gz YSSQNOUFHJTHOU-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H](C)OC ZINC000182367299 643008467 /nfs/dbraw/zinc/00/84/67/643008467.db2.gz UYBBJZHYAKEBCQ-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](C)OC ZINC000182367299 643008472 /nfs/dbraw/zinc/00/84/72/643008472.db2.gz UYBBJZHYAKEBCQ-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CNc1cc(N2CC[C@@H](OC)C2)nc[nH+]1 ZINC000234583770 643089011 /nfs/dbraw/zinc/08/90/11/643089011.db2.gz FNGUKUQQOZBZNF-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CC[C@@H](OC)C2)[nH+]cn1 ZINC000234583770 643089017 /nfs/dbraw/zinc/08/90/17/643089017.db2.gz FNGUKUQQOZBZNF-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)C[C@H]1C ZINC000941701075 643120521 /nfs/dbraw/zinc/12/05/21/643120521.db2.gz XXGDDRASPYPPIO-LDYMZIIASA-N 1 2 238.291 0.416 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)C[C@H]1C ZINC000941701075 643120525 /nfs/dbraw/zinc/12/05/25/643120525.db2.gz XXGDDRASPYPPIO-LDYMZIIASA-N 1 2 238.291 0.416 20 0 BCADLO C[C@H](NC(=O)c1cocn1)C1C[NH+](CCF)C1 ZINC000969396572 643165403 /nfs/dbraw/zinc/16/54/03/643165403.db2.gz UBWDDLOVNPUWFD-QMMMGPOBSA-N 1 2 241.266 0.694 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnsn2)[C@@H]1CO ZINC000306721856 643222370 /nfs/dbraw/zinc/22/23/70/643222370.db2.gz IHUQXMFEIJUMLO-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)[C@@H]1CO ZINC000306721856 643222374 /nfs/dbraw/zinc/22/23/74/643222374.db2.gz IHUQXMFEIJUMLO-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnsn2)[C@H]1CO ZINC000306721854 643222899 /nfs/dbraw/zinc/22/28/99/643222899.db2.gz IHUQXMFEIJUMLO-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnsn2)[C@H]1CO ZINC000306721854 643222904 /nfs/dbraw/zinc/22/29/04/643222904.db2.gz IHUQXMFEIJUMLO-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000131115891 643261762 /nfs/dbraw/zinc/26/17/62/643261762.db2.gz YESYCCRWRPXBDH-STUBTGCMSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@H]1C(=O)NC ZINC000131115891 643261766 /nfs/dbraw/zinc/26/17/66/643261766.db2.gz YESYCCRWRPXBDH-STUBTGCMSA-N 1 2 240.303 0.316 20 0 BCADLO Cn1cnc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000932474977 643291537 /nfs/dbraw/zinc/29/15/37/643291537.db2.gz JLMOQOMZJHMLLK-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nc(C(F)F)no1 ZINC000932479924 643305874 /nfs/dbraw/zinc/30/58/74/643305874.db2.gz PBVXBXPYYUNATI-UHFFFAOYSA-N 1 2 248.233 0.705 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nc(C(F)F)no1 ZINC000932479924 643305876 /nfs/dbraw/zinc/30/58/76/643305876.db2.gz PBVXBXPYYUNATI-UHFFFAOYSA-N 1 2 248.233 0.705 20 0 BCADLO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC000806168625 643307775 /nfs/dbraw/zinc/30/77/75/643307775.db2.gz VCRBQMAWHMUODU-LLVKDONJSA-N 1 2 234.307 0.790 20 0 BCADLO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cnn(C)n1 ZINC000806168627 643308907 /nfs/dbraw/zinc/30/89/07/643308907.db2.gz VDRCRWAWTBRZPG-LLVKDONJSA-N 1 2 246.318 0.716 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000091865352 643331905 /nfs/dbraw/zinc/33/19/05/643331905.db2.gz YTOZFMPWUXOGRT-JTQLQIEISA-N 1 2 221.260 0.489 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000091865352 643331907 /nfs/dbraw/zinc/33/19/07/643331907.db2.gz YTOZFMPWUXOGRT-JTQLQIEISA-N 1 2 221.260 0.489 20 0 BCADLO C[C@H](c1cccnc1)[N@H+](C)CCS(N)(=O)=O ZINC000093236567 643335920 /nfs/dbraw/zinc/33/59/20/643335920.db2.gz GAOFHLHXKCFUNY-SECBINFHSA-N 1 2 243.332 0.363 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+](C)CCS(N)(=O)=O ZINC000093236567 643335941 /nfs/dbraw/zinc/33/59/41/643335941.db2.gz GAOFHLHXKCFUNY-SECBINFHSA-N 1 2 243.332 0.363 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C)nc1C ZINC001032235221 643380941 /nfs/dbraw/zinc/38/09/41/643380941.db2.gz CRFAKUCLNGINJR-STQMWFEESA-N 1 2 248.330 0.534 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C)nc1C ZINC001032235221 643380947 /nfs/dbraw/zinc/38/09/47/643380947.db2.gz CRFAKUCLNGINJR-STQMWFEESA-N 1 2 248.330 0.534 20 0 BCADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032236647 643382523 /nfs/dbraw/zinc/38/25/23/643382523.db2.gz CDLXCQVRMSVLCJ-ADLDAWLNSA-N 1 2 244.722 0.670 20 0 BCADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032236647 643382527 /nfs/dbraw/zinc/38/25/27/643382527.db2.gz CDLXCQVRMSVLCJ-ADLDAWLNSA-N 1 2 244.722 0.670 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000932643925 643386675 /nfs/dbraw/zinc/38/66/75/643386675.db2.gz NBNCSFXYJBVXRU-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000932643925 643386679 /nfs/dbraw/zinc/38/66/79/643386679.db2.gz NBNCSFXYJBVXRU-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ncn1 ZINC001032240159 643389372 /nfs/dbraw/zinc/38/93/72/643389372.db2.gz HEWIKWCETIDISH-STQMWFEESA-N 1 2 246.314 0.590 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)ncn1 ZINC001032240159 643389377 /nfs/dbraw/zinc/38/93/77/643389377.db2.gz HEWIKWCETIDISH-STQMWFEESA-N 1 2 246.314 0.590 20 0 BCADLO COCC1=CC[N@@H+]([C@@H]2CCOC2=O)CC1 ZINC000185809143 643393259 /nfs/dbraw/zinc/39/32/59/643393259.db2.gz JISTWPRCINLYNU-SNVBAGLBSA-N 1 2 211.261 0.580 20 0 BCADLO COCC1=CC[N@H+]([C@@H]2CCOC2=O)CC1 ZINC000185809143 643393262 /nfs/dbraw/zinc/39/32/62/643393262.db2.gz JISTWPRCINLYNU-SNVBAGLBSA-N 1 2 211.261 0.580 20 0 BCADLO CN1CC[C@H]([NH+]2CCC(c3nc[nH]n3)CC2)C1=O ZINC000083445969 643453974 /nfs/dbraw/zinc/45/39/74/643453974.db2.gz WIQLIMIPJYSOND-JTQLQIEISA-N 1 2 249.318 0.215 20 0 BCADLO CN1CC[C@@H]([NH+]2CCC(c3nc[nH]n3)CC2)C1=O ZINC000083445973 643454169 /nfs/dbraw/zinc/45/41/69/643454169.db2.gz WIQLIMIPJYSOND-SNVBAGLBSA-N 1 2 249.318 0.215 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](CC)CO ZINC000082757926 643523911 /nfs/dbraw/zinc/52/39/11/643523911.db2.gz AFCMFQUYYGFATA-DTWKUNHWSA-N 1 2 203.282 0.689 20 0 BCADLO CCSCC[N@H+](C)CCS(C)(=O)=O ZINC000160429725 643579790 /nfs/dbraw/zinc/57/97/90/643579790.db2.gz PTWHJBOTKZXIHL-UHFFFAOYSA-N 1 2 225.379 0.716 20 0 BCADLO CCSCC[N@@H+](C)CCS(C)(=O)=O ZINC000160429725 643579792 /nfs/dbraw/zinc/57/97/92/643579792.db2.gz PTWHJBOTKZXIHL-UHFFFAOYSA-N 1 2 225.379 0.716 20 0 BCADLO Cc1cc(C[N@@H+]2C3CCC2(C(N)=O)CC3)ncn1 ZINC000932934573 643688867 /nfs/dbraw/zinc/68/88/67/643688867.db2.gz NCRYMUOQTDSBFH-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1cc(C[N@H+]2C3CCC2(C(N)=O)CC3)ncn1 ZINC000932934573 643688872 /nfs/dbraw/zinc/68/88/72/643688872.db2.gz NCRYMUOQTDSBFH-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002202418 643810926 /nfs/dbraw/zinc/81/09/26/643810926.db2.gz XRZUKTHKLRBOFJ-UHFFFAOYSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)n1 ZINC000921948589 643832601 /nfs/dbraw/zinc/83/26/01/643832601.db2.gz QKEHMMWVBXGYJX-UHFFFAOYSA-N 1 2 245.330 0.932 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1ccc(=O)n(C)c1 ZINC000085987436 643880529 /nfs/dbraw/zinc/88/05/29/643880529.db2.gz LAXYHBICMHHBFW-UHFFFAOYSA-N 1 2 247.254 0.476 20 0 BCADLO CCOCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922184106 643896081 /nfs/dbraw/zinc/89/60/81/643896081.db2.gz KPZTZGOHUKMUBW-UHFFFAOYSA-N 1 2 210.233 0.744 20 0 BCADLO CC(C)n1ncnc1C[NH2+]CC1OCCCO1 ZINC000922277365 643944814 /nfs/dbraw/zinc/94/48/14/643944814.db2.gz AGTIULDBLSYYCY-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO COc1nccnc1C[NH2+]CC1OCCCO1 ZINC000922280317 643947798 /nfs/dbraw/zinc/94/77/98/643947798.db2.gz IJLPVLCQCLSDMZ-UHFFFAOYSA-N 1 2 239.275 0.338 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@H](C)C(OC)OC)n1 ZINC000922313223 643968817 /nfs/dbraw/zinc/96/88/17/643968817.db2.gz HYRSJABWEWSOLS-SECBINFHSA-N 1 2 242.323 0.703 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2COCCO2)c[nH+]1 ZINC000922334258 643973782 /nfs/dbraw/zinc/97/37/82/643973782.db2.gz HPAYZCKNTIHMIY-VIFPVBQESA-N 1 2 238.243 0.122 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC(=O)NC1 ZINC000922357834 643980525 /nfs/dbraw/zinc/98/05/25/643980525.db2.gz DDDINMHORXXZCF-MRVPVSSYSA-N 1 2 249.270 0.233 20 0 BCADLO CC(C)(CO)C(=O)OCc1ccc[nH+]c1N ZINC000922404417 643987675 /nfs/dbraw/zinc/98/76/75/643987675.db2.gz MIEDHRJRTMRRIM-UHFFFAOYSA-N 1 2 224.260 0.726 20 0 BCADLO COCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922409998 643988705 /nfs/dbraw/zinc/98/87/05/643988705.db2.gz WFSCWGFGPCAKHN-UHFFFAOYSA-N 1 2 210.233 0.744 20 0 BCADLO CNC(=O)C1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922419695 643990367 /nfs/dbraw/zinc/99/03/67/643990367.db2.gz STFFCQHCFAAYRQ-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO Nc1ccc(COC(=O)[C@H](O)C2CC2)c[nH+]1 ZINC000922427794 643991906 /nfs/dbraw/zinc/99/19/06/643991906.db2.gz HFOQTNQRISQBPY-SNVBAGLBSA-N 1 2 222.244 0.478 20 0 BCADLO Cc1c(C(=O)OCc2ccc(N)[nH+]c2)nnn1C ZINC000922484097 644002645 /nfs/dbraw/zinc/00/26/45/644002645.db2.gz HGPSDSUDSUFSJM-UHFFFAOYSA-N 1 2 247.258 0.458 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC[C@@H]1O ZINC000922490032 644002791 /nfs/dbraw/zinc/00/27/91/644002791.db2.gz KXAGVJSHEBAFTB-UWVGGRQHSA-N 1 2 236.271 0.868 20 0 BCADLO CN1CC[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1=O ZINC000922622274 644042518 /nfs/dbraw/zinc/04/25/18/644042518.db2.gz QOAVOEXCEUUTGX-VIFPVBQESA-N 1 2 249.270 0.185 20 0 BCADLO Cc1cc(CC[NH2+]Cc2ccn[nH]2)nn1C ZINC000922689722 644069046 /nfs/dbraw/zinc/06/90/46/644069046.db2.gz MNPFEMSJBHXEPK-UHFFFAOYSA-N 1 2 219.292 0.784 20 0 BCADLO C[C@@](O)(C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922728617 644081480 /nfs/dbraw/zinc/08/14/80/644081480.db2.gz LIYOPWYPHDHCSK-LBPRGKRZSA-N 1 2 236.271 0.868 20 0 BCADLO COC[C@@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922868493 644123748 /nfs/dbraw/zinc/12/37/48/644123748.db2.gz BHUOSUGCAYQVIA-SECBINFHSA-N 1 2 240.259 0.368 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000245746635 644181772 /nfs/dbraw/zinc/18/17/72/644181772.db2.gz NBDQHFHMIYMTGV-NXEZZACHSA-N 1 2 224.308 0.517 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000245746635 644181777 /nfs/dbraw/zinc/18/17/77/644181777.db2.gz NBDQHFHMIYMTGV-NXEZZACHSA-N 1 2 224.308 0.517 20 0 BCADLO C#CCNC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080921474 644297862 /nfs/dbraw/zinc/29/78/62/644297862.db2.gz YKHBWHPDSRYMNH-UHFFFAOYSA-N 1 2 232.283 0.573 20 0 BCADLO C#CCNC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080921474 644297865 /nfs/dbraw/zinc/29/78/65/644297865.db2.gz YKHBWHPDSRYMNH-UHFFFAOYSA-N 1 2 232.283 0.573 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCOC1CCC1 ZINC000081236002 644313981 /nfs/dbraw/zinc/31/39/81/644313981.db2.gz JVDPLUDIHOQPEV-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000195435726 644390910 /nfs/dbraw/zinc/39/09/10/644390910.db2.gz ZIHIGYXRJQMESX-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000195487236 644393235 /nfs/dbraw/zinc/39/32/35/644393235.db2.gz JQARFILPXGGYAC-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO Cc1nn(C)c(C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC000084275480 644423673 /nfs/dbraw/zinc/42/36/73/644423673.db2.gz VDGFTJOXLFRHEF-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO Cc1nn(C)c(C[N@H+]2CC[C@H](O)C2)c1Cl ZINC000084275480 644423676 /nfs/dbraw/zinc/42/36/76/644423676.db2.gz VDGFTJOXLFRHEF-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923523663 644483122 /nfs/dbraw/zinc/48/31/22/644483122.db2.gz XJOBUZKZPMIUHR-MXWKQRLJSA-N 1 2 246.376 0.103 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923523663 644483124 /nfs/dbraw/zinc/48/31/24/644483124.db2.gz XJOBUZKZPMIUHR-MXWKQRLJSA-N 1 2 246.376 0.103 20 0 BCADLO CC[C@@H]1C[N@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000245612811 644532766 /nfs/dbraw/zinc/53/27/66/644532766.db2.gz WMHAAWDUHBVHEL-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000245612811 644532772 /nfs/dbraw/zinc/53/27/72/644532772.db2.gz WMHAAWDUHBVHEL-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO CON(C)C(=O)C[N@H+](C)CCc1nccs1 ZINC000089264264 644539167 /nfs/dbraw/zinc/53/91/67/644539167.db2.gz FREPYABHMBQVQF-UHFFFAOYSA-N 1 2 243.332 0.637 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)CCc1nccs1 ZINC000089264264 644539170 /nfs/dbraw/zinc/53/91/70/644539170.db2.gz FREPYABHMBQVQF-UHFFFAOYSA-N 1 2 243.332 0.637 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000245990342 644558348 /nfs/dbraw/zinc/55/83/48/644558348.db2.gz WUVFMMFJSUQMDW-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COCCO[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000245990342 644558353 /nfs/dbraw/zinc/55/83/53/644558353.db2.gz WUVFMMFJSUQMDW-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000089676989 644561509 /nfs/dbraw/zinc/56/15/09/644561509.db2.gz QHDUBBADIVKNMB-UHFFFAOYSA-N 1 2 248.326 0.988 20 0 BCADLO CC[C@H](C)N(OC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000747619872 644585179 /nfs/dbraw/zinc/58/51/79/644585179.db2.gz OAQRTIFFQXJBGE-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H](C)N(OC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000747619872 644585183 /nfs/dbraw/zinc/58/51/83/644585183.db2.gz OAQRTIFFQXJBGE-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H](C)N(OC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000747619873 644586183 /nfs/dbraw/zinc/58/61/83/644586183.db2.gz OAQRTIFFQXJBGE-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H](C)N(OC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000747619873 644586187 /nfs/dbraw/zinc/58/61/87/644586187.db2.gz OAQRTIFFQXJBGE-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CCOCC[N@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000092885401 644669781 /nfs/dbraw/zinc/66/97/81/644669781.db2.gz YXUPUJSEYYHEIM-UHFFFAOYSA-N 1 2 242.319 0.697 20 0 BCADLO CCOCC[N@@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000092885401 644669787 /nfs/dbraw/zinc/66/97/87/644669787.db2.gz YXUPUJSEYYHEIM-UHFFFAOYSA-N 1 2 242.319 0.697 20 0 BCADLO CCN(C(=O)c1cnon1)C1C[NH+](CC)C1 ZINC000956988434 644675691 /nfs/dbraw/zinc/67/56/91/644675691.db2.gz WMPAKKVBLVLYRK-UHFFFAOYSA-N 1 2 224.264 0.236 20 0 BCADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769117036 644678117 /nfs/dbraw/zinc/67/81/17/644678117.db2.gz ZKWFYBXDWSPFFQ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769117036 644678122 /nfs/dbraw/zinc/67/81/22/644678122.db2.gz ZKWFYBXDWSPFFQ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCCNC(=O)C1 ZINC000769116849 644678916 /nfs/dbraw/zinc/67/89/16/644678916.db2.gz VSXYYRZLCUTDGH-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1ncccc1C[N@H+]1CCCNC(=O)C1 ZINC000769116849 644678917 /nfs/dbraw/zinc/67/89/17/644678917.db2.gz VSXYYRZLCUTDGH-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC000782603456 644742321 /nfs/dbraw/zinc/74/23/21/644742321.db2.gz HCSGLOHJKAVZQO-GXFFZTMASA-N 1 2 248.330 0.429 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC000782603456 644742326 /nfs/dbraw/zinc/74/23/26/644742326.db2.gz HCSGLOHJKAVZQO-GXFFZTMASA-N 1 2 248.330 0.429 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC000782603457 644743187 /nfs/dbraw/zinc/74/31/87/644743187.db2.gz HCSGLOHJKAVZQO-MFKMUULPSA-N 1 2 248.330 0.429 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC000782603457 644743189 /nfs/dbraw/zinc/74/31/89/644743189.db2.gz HCSGLOHJKAVZQO-MFKMUULPSA-N 1 2 248.330 0.429 20 0 BCADLO CCOC(C[N@@H+]1C[C@@H](CO)OC[C@H]1C)OCC ZINC000250483556 644760301 /nfs/dbraw/zinc/76/03/01/644760301.db2.gz GKXBVFVARRICNP-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@@H](CO)OC[C@H]1C)OCC ZINC000250483556 644760308 /nfs/dbraw/zinc/76/03/08/644760308.db2.gz GKXBVFVARRICNP-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000957967858 644763060 /nfs/dbraw/zinc/76/30/60/644763060.db2.gz RNZVDUUKIYDHTO-IWIIMEHWSA-N 1 2 249.314 0.939 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000957967858 644763061 /nfs/dbraw/zinc/76/30/61/644763061.db2.gz RNZVDUUKIYDHTO-IWIIMEHWSA-N 1 2 249.314 0.939 20 0 BCADLO CCC(=O)CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800470689 644835202 /nfs/dbraw/zinc/83/52/02/644835202.db2.gz MGBLRYXMZBUILO-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800470689 644835204 /nfs/dbraw/zinc/83/52/04/644835204.db2.gz MGBLRYXMZBUILO-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO C[C@@H]1COCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000807152654 644859668 /nfs/dbraw/zinc/85/96/68/644859668.db2.gz IASPTIUXJWLCFW-JTQLQIEISA-N 1 2 237.303 0.458 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccnc(CO)c1 ZINC000807170092 644859974 /nfs/dbraw/zinc/85/99/74/644859974.db2.gz UJGUWVMPLODBKU-UHFFFAOYSA-N 1 2 246.270 0.489 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCCCCCO ZINC000807195185 644861824 /nfs/dbraw/zinc/86/18/24/644861824.db2.gz ZCVBXOASSDJIIJ-UHFFFAOYSA-N 1 2 239.319 0.632 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC1OCCO1 ZINC000812887507 644934028 /nfs/dbraw/zinc/93/40/28/644934028.db2.gz USELTQXHYAPFHK-SNVBAGLBSA-N 1 2 231.292 0.097 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC1OCCO1 ZINC000812887507 644934033 /nfs/dbraw/zinc/93/40/33/644934033.db2.gz USELTQXHYAPFHK-SNVBAGLBSA-N 1 2 231.292 0.097 20 0 BCADLO CNC(=O)[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000817371164 644977926 /nfs/dbraw/zinc/97/79/26/644977926.db2.gz RRWJTEMQYMGPBK-QMMMGPOBSA-N 1 2 242.710 0.562 20 0 BCADLO CNC(=O)[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000817371164 644977931 /nfs/dbraw/zinc/97/79/31/644977931.db2.gz RRWJTEMQYMGPBK-QMMMGPOBSA-N 1 2 242.710 0.562 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000819102700 645004871 /nfs/dbraw/zinc/00/48/71/645004871.db2.gz OMVAMLXSONBCEL-BYCRGOAPSA-N 1 2 235.287 0.735 20 0 BCADLO O=C(/C=C\[C@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000819102701 645005197 /nfs/dbraw/zinc/00/51/97/645005197.db2.gz OMVAMLXSONBCEL-DLRQAJBASA-N 1 2 235.287 0.735 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(F)nc1C ZINC000827862903 645085978 /nfs/dbraw/zinc/08/59/78/645085978.db2.gz UIWSGRDZTRRUPE-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)nc1C ZINC000827862903 645085981 /nfs/dbraw/zinc/08/59/81/645085981.db2.gz UIWSGRDZTRRUPE-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn2ccccc12 ZINC000827867745 645087997 /nfs/dbraw/zinc/08/79/97/645087997.db2.gz ONXMNIDCKJBXEW-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000827867745 645088000 /nfs/dbraw/zinc/08/80/00/645088000.db2.gz ONXMNIDCKJBXEW-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000828103392 645097242 /nfs/dbraw/zinc/09/72/42/645097242.db2.gz KUHFOMVARKHYHM-AWEZNQCLSA-N 1 2 213.306 0.146 20 0 BCADLO C[S@](=O)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000828103392 645097244 /nfs/dbraw/zinc/09/72/44/645097244.db2.gz KUHFOMVARKHYHM-AWEZNQCLSA-N 1 2 213.306 0.146 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830003782 645113220 /nfs/dbraw/zinc/11/32/20/645113220.db2.gz BRNNQTHRFYILIU-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CCO)c1ccco1 ZINC000832297084 645133806 /nfs/dbraw/zinc/13/38/06/645133806.db2.gz PULYLURJYLMTER-SECBINFHSA-N 1 2 249.270 0.785 20 0 BCADLO C[C@@H](NC(=O)OCCCF)[C@@H]1C[N@H+](C)CCO1 ZINC000841506661 645217261 /nfs/dbraw/zinc/21/72/61/645217261.db2.gz TZIOYMHJKNFERV-ZJUUUORDSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H](NC(=O)OCCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC000841506661 645217267 /nfs/dbraw/zinc/21/72/67/645217267.db2.gz TZIOYMHJKNFERV-ZJUUUORDSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@H](NC(=O)OCCCF)[C@@H]1C[N@H+](C)CCO1 ZINC000841506659 645217342 /nfs/dbraw/zinc/21/73/42/645217342.db2.gz TZIOYMHJKNFERV-UWVGGRQHSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@H](NC(=O)OCCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC000841506659 645217347 /nfs/dbraw/zinc/21/73/47/645217347.db2.gz TZIOYMHJKNFERV-UWVGGRQHSA-N 1 2 248.298 0.791 20 0 BCADLO CC[C@H]([NH2+][C@H](C)c1ncco1)C(=O)NC ZINC000926548807 645261728 /nfs/dbraw/zinc/26/17/28/645261728.db2.gz CRDQGZILIOXPQS-SFYZADRCSA-N 1 2 211.265 0.850 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H](C)n2ncnc21 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CC[N@H+](CC1CC1)Cn1nc(C)n(C)c1=O ZINC000844692906 645344298 /nfs/dbraw/zinc/34/42/98/645344298.db2.gz MPSOLQDFPPSGAO-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1nc(C)n(C)c1=O ZINC000844692906 645344302 /nfs/dbraw/zinc/34/43/02/645344302.db2.gz MPSOLQDFPPSGAO-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CC2)c(=O)n1C ZINC000844691453 645344620 /nfs/dbraw/zinc/34/46/20/645344620.db2.gz MZQDVMCGWODNDA-LLVKDONJSA-N 1 2 236.319 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c(=O)n1C ZINC000844691453 645344628 /nfs/dbraw/zinc/34/46/28/645344628.db2.gz MZQDVMCGWODNDA-LLVKDONJSA-N 1 2 236.319 0.722 20 0 BCADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCNC2=O)nn1 ZINC000926671551 645346741 /nfs/dbraw/zinc/34/67/41/645346741.db2.gz IWDOGQISLPLJBE-RKDXNWHRSA-N 1 2 237.307 0.398 20 0 BCADLO C[C@@H](CC(=O)OCc1cn[nH]n1)n1cc[nH+]c1 ZINC000845563771 645366719 /nfs/dbraw/zinc/36/67/19/645366719.db2.gz IPGPNVJNLKTHSN-QMMMGPOBSA-N 1 2 235.247 0.696 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)OC1=O ZINC000846763669 645406763 /nfs/dbraw/zinc/40/67/63/645406763.db2.gz YNJOXNKYKLLFGU-AXFHLTTASA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)OC1=O ZINC000846763669 645406770 /nfs/dbraw/zinc/40/67/70/645406770.db2.gz YNJOXNKYKLLFGU-AXFHLTTASA-N 1 2 242.319 0.936 20 0 BCADLO CON1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000846981488 645411802 /nfs/dbraw/zinc/41/18/02/645411802.db2.gz ODEWUWSTUKJUMJ-UHFFFAOYSA-N 1 2 210.281 0.099 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000926779516 645428395 /nfs/dbraw/zinc/42/83/95/645428395.db2.gz SZXZIVVQRZMFKL-QNSHHTMESA-N 1 2 240.307 0.017 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1ccnn1C ZINC000926810784 645441263 /nfs/dbraw/zinc/44/12/63/645441263.db2.gz CXUBBEWGZFQJPW-DTWKUNHWSA-N 1 2 234.307 0.960 20 0 BCADLO C[C@@H]1COC[C@H]1[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000926826158 645445975 /nfs/dbraw/zinc/44/59/75/645445975.db2.gz XAOCXUSJBDATSW-XIZWVBILSA-N 1 2 247.364 0.230 20 0 BCADLO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ncco1 ZINC000926861722 645459979 /nfs/dbraw/zinc/45/99/79/645459979.db2.gz PJMVPCZZIBUGRJ-IWSPIJDZSA-N 1 2 244.316 0.901 20 0 BCADLO CCn1nc(C)c([C@@H](C)NC[C@@H]2CC[N@@H+]2C)n1 ZINC000926888181 645475580 /nfs/dbraw/zinc/47/55/80/645475580.db2.gz FQKYIVOQZGLIAW-KOLCDFICSA-N 1 2 237.351 0.961 20 0 BCADLO CCn1nc(C)c([C@@H](C)NC[C@@H]2CC[N@H+]2C)n1 ZINC000926888181 645475588 /nfs/dbraw/zinc/47/55/88/645475588.db2.gz FQKYIVOQZGLIAW-KOLCDFICSA-N 1 2 237.351 0.961 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@@H+]1C)c1cnn(C)n1 ZINC000926894406 645481024 /nfs/dbraw/zinc/48/10/24/645481024.db2.gz MJYIJOHFIPERGV-IUCAKERBSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@H+]1C)c1cnn(C)n1 ZINC000926894406 645481032 /nfs/dbraw/zinc/48/10/32/645481032.db2.gz MJYIJOHFIPERGV-IUCAKERBSA-N 1 2 209.297 0.170 20 0 BCADLO CCc1nc(CNC(=O)Cc2[nH]cc[nH+]2)co1 ZINC000854847528 645513380 /nfs/dbraw/zinc/51/33/80/645513380.db2.gz 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645977464 /nfs/dbraw/zinc/97/74/64/645977464.db2.gz ZFOQPNKQSCKRJC-APPZFPTMSA-N 1 2 249.274 0.851 20 0 BCADLO CC1(CC(=O)OCCn2cc[nH+]c2)COC1 ZINC000924116612 645985487 /nfs/dbraw/zinc/98/54/87/645985487.db2.gz OLTCTGDXSPUYFZ-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000929176828 645986273 /nfs/dbraw/zinc/98/62/73/645986273.db2.gz KAYMIUWNWODOOQ-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000929176828 645986276 /nfs/dbraw/zinc/98/62/76/645986276.db2.gz KAYMIUWNWODOOQ-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCOC[C@@H]1C ZINC000929251951 646034495 /nfs/dbraw/zinc/03/44/95/646034495.db2.gz HPBXHUNDCHDZDJ-MBACFSSFSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCOC[C@@H]1C ZINC000929251951 646034499 /nfs/dbraw/zinc/03/44/99/646034499.db2.gz HPBXHUNDCHDZDJ-MBACFSSFSA-N 1 2 213.277 0.826 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C(C)=C\C(=O)OC ZINC000929297385 646072313 /nfs/dbraw/zinc/07/23/13/646072313.db2.gz UVSKIQRBWYXTBR-TWGQIWQCSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C(C)=C\C(=O)OC ZINC000929297385 646072320 /nfs/dbraw/zinc/07/23/20/646072320.db2.gz UVSKIQRBWYXTBR-TWGQIWQCSA-N 1 2 228.292 0.174 20 0 BCADLO COCC[N@H+](C)Cc1noc2c1COCC2 ZINC000929318958 646076687 /nfs/dbraw/zinc/07/66/87/646076687.db2.gz GQRNSJYOVLDSKU-UHFFFAOYSA-N 1 2 226.276 0.826 20 0 BCADLO COCC[N@@H+](C)Cc1noc2c1COCC2 ZINC000929318958 646076693 /nfs/dbraw/zinc/07/66/93/646076693.db2.gz GQRNSJYOVLDSKU-UHFFFAOYSA-N 1 2 226.276 0.826 20 0 BCADLO C[C@@H]([NH2+]CCN1CCCCC1)c1cnn(C)n1 ZINC000924624634 646081403 /nfs/dbraw/zinc/08/14/03/646081403.db2.gz QSBKQDAVHWAGFV-LLVKDONJSA-N 1 2 237.351 0.952 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)[C@@H](C)O ZINC000929361011 646095793 /nfs/dbraw/zinc/09/57/93/646095793.db2.gz UTCQWLKONGLRPU-NXEZZACHSA-N 1 2 233.308 0.003 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@@H](O)[C@@H](C)O ZINC000929361011 646095796 /nfs/dbraw/zinc/09/57/96/646095796.db2.gz UTCQWLKONGLRPU-NXEZZACHSA-N 1 2 233.308 0.003 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000924786559 646106716 /nfs/dbraw/zinc/10/67/16/646106716.db2.gz DFFIMQHQQJSUAA-SECBINFHSA-N 1 2 239.323 0.334 20 0 BCADLO O=[S@](CC[N@H+]1CCCOCC1)C(F)(F)F ZINC000929409370 646109571 /nfs/dbraw/zinc/10/95/71/646109571.db2.gz DRGLIHXDXMELRG-OAHLLOKOSA-N 1 2 245.266 0.977 20 0 BCADLO O=[S@](CC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000929409370 646109566 /nfs/dbraw/zinc/10/95/66/646109566.db2.gz DRGLIHXDXMELRG-OAHLLOKOSA-N 1 2 245.266 0.977 20 0 BCADLO COc1cc([C@H](C)[NH2+]CCS(C)(=O)=O)on1 ZINC000924851054 646118958 /nfs/dbraw/zinc/11/89/58/646118958.db2.gz OEFABLJKEJJBID-ZETCQYMHSA-N 1 2 248.304 0.378 20 0 BCADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ncco1 ZINC000924898073 646127668 /nfs/dbraw/zinc/12/76/68/646127668.db2.gz SZFUPYJODGVWAF-JGVFFNPUSA-N 1 2 209.249 0.556 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1c(F)cncc1F ZINC000929492105 646141833 /nfs/dbraw/zinc/14/18/33/646141833.db2.gz NBRHEUCXUTYEGA-UHFFFAOYSA-N 1 2 243.257 0.928 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1c(F)cncc1F ZINC000929492105 646141837 /nfs/dbraw/zinc/14/18/37/646141837.db2.gz NBRHEUCXUTYEGA-UHFFFAOYSA-N 1 2 243.257 0.928 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCNC(=O)[C@H]1C ZINC000929488214 646142451 /nfs/dbraw/zinc/14/24/51/646142451.db2.gz SOACAFQCPZZKIB-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCNC(=O)[C@H]1C ZINC000929488214 646142456 /nfs/dbraw/zinc/14/24/56/646142456.db2.gz SOACAFQCPZZKIB-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO Cc1cccc([C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000929486216 646142942 /nfs/dbraw/zinc/14/29/42/646142942.db2.gz BNZBIOOWOGGZMQ-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H](O)C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000929486216 646142946 /nfs/dbraw/zinc/14/29/46/646142946.db2.gz BNZBIOOWOGGZMQ-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC2(COC2)O1 ZINC000929505232 646155785 /nfs/dbraw/zinc/15/57/85/646155785.db2.gz PXSOTIKLYCCQDS-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1CCC2(COC2)O1 ZINC000929505232 646155790 /nfs/dbraw/zinc/15/57/90/646155790.db2.gz PXSOTIKLYCCQDS-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO COC[C@H](CCO)[NH2+][C@H](C)c1ncco1 ZINC000925113393 646189069 /nfs/dbraw/zinc/18/90/69/646189069.db2.gz WVVMVSNWBFRUCU-BDAKNGLRSA-N 1 2 214.265 0.723 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929623511 646207827 /nfs/dbraw/zinc/20/78/27/646207827.db2.gz COONVRVMLABFNS-ADEWGFFLSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929623511 646207832 /nfs/dbraw/zinc/20/78/32/646207832.db2.gz COONVRVMLABFNS-ADEWGFFLSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC2(COC2)O1 ZINC000929625734 646209492 /nfs/dbraw/zinc/20/94/92/646209492.db2.gz VJHWTVTVSXTIBN-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC2(COC2)O1 ZINC000929625734 646209495 /nfs/dbraw/zinc/20/94/95/646209495.db2.gz VJHWTVTVSXTIBN-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000925212105 646209954 /nfs/dbraw/zinc/20/99/54/646209954.db2.gz FGQLQQGQINJGTE-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC2(COC2)O1 ZINC000929625735 646210764 /nfs/dbraw/zinc/21/07/64/646210764.db2.gz VJHWTVTVSXTIBN-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC2(COC2)O1 ZINC000929625735 646210770 /nfs/dbraw/zinc/21/07/70/646210770.db2.gz VJHWTVTVSXTIBN-NSHDSACASA-N 1 2 237.303 0.790 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000929670735 646232685 /nfs/dbraw/zinc/23/26/85/646232685.db2.gz USMWPFZQQZCWSL-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000929670735 646232690 /nfs/dbraw/zinc/23/26/90/646232690.db2.gz USMWPFZQQZCWSL-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759528 646290441 /nfs/dbraw/zinc/29/04/41/646290441.db2.gz PBLVDCJOINNXFM-BNTAEACNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759528 646290447 /nfs/dbraw/zinc/29/04/47/646290447.db2.gz PBLVDCJOINNXFM-BNTAEACNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759530 646291953 /nfs/dbraw/zinc/29/19/53/646291953.db2.gz PBLVDCJOINNXFM-RCNKOFRFSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759530 646291958 /nfs/dbraw/zinc/29/19/58/646291958.db2.gz PBLVDCJOINNXFM-RCNKOFRFSA-N 1 2 225.288 0.969 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC1 ZINC000925572076 646340383 /nfs/dbraw/zinc/34/03/83/646340383.db2.gz GPFJKFURKCVPRV-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833552 646350514 /nfs/dbraw/zinc/35/05/14/646350514.db2.gz KFZYFHZAGQZJNP-VHSXEESVSA-N 1 2 243.328 0.475 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833552 646350516 /nfs/dbraw/zinc/35/05/16/646350516.db2.gz KFZYFHZAGQZJNP-VHSXEESVSA-N 1 2 243.328 0.475 20 0 BCADLO CCn1nc(C)c([C@H](C)NCC[NH+]2CCC2)n1 ZINC000925605315 646358301 /nfs/dbraw/zinc/35/83/01/646358301.db2.gz PGHLNUURJLJSKT-JTQLQIEISA-N 1 2 237.351 0.963 20 0 BCADLO Cc1[nH]c(CN(C)CC(C)(CO)CO)c(C)[nH+]1 ZINC000929858345 646364394 /nfs/dbraw/zinc/36/43/94/646364394.db2.gz DIDBDYBTBAZJOO-UHFFFAOYSA-N 1 2 241.335 0.449 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCO[C@H]1CCOC1 ZINC000929972434 646381333 /nfs/dbraw/zinc/38/13/33/646381333.db2.gz DFHAFZZOFQEUJD-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCO[C@H]1CCOC1 ZINC000929972434 646381336 /nfs/dbraw/zinc/38/13/36/646381336.db2.gz DFHAFZZOFQEUJD-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO Cn1c2ccccc2nc1C[N@H+](C)C[C@@H](O)CO ZINC000930017642 646395674 /nfs/dbraw/zinc/39/56/74/646395674.db2.gz XADQLLOJDQPOLI-SNVBAGLBSA-N 1 2 249.314 0.358 20 0 BCADLO Cn1c2ccccc2nc1C[N@@H+](C)C[C@@H](O)CO ZINC000930017642 646395678 /nfs/dbraw/zinc/39/56/78/646395678.db2.gz XADQLLOJDQPOLI-SNVBAGLBSA-N 1 2 249.314 0.358 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930069081 646420752 /nfs/dbraw/zinc/42/07/52/646420752.db2.gz MZCPZRKGMBUSKC-LLVKDONJSA-N 1 2 249.314 0.716 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930069081 646420754 /nfs/dbraw/zinc/42/07/54/646420754.db2.gz MZCPZRKGMBUSKC-LLVKDONJSA-N 1 2 249.314 0.716 20 0 BCADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1ncc[nH]1 ZINC000930122337 646444530 /nfs/dbraw/zinc/44/45/30/646444530.db2.gz ZLDDXBJUDNYSJZ-SNVBAGLBSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1ncc[nH]1 ZINC000930122337 646444533 /nfs/dbraw/zinc/44/45/33/646444533.db2.gz ZLDDXBJUDNYSJZ-SNVBAGLBSA-N 1 2 225.292 0.647 20 0 BCADLO C[C@@H]([NH2+][C@H]1CNOC1)c1cc2n(n1)CCC2 ZINC000925863348 646516161 /nfs/dbraw/zinc/51/61/61/646516161.db2.gz CETDXAKIFLYPQO-BDAKNGLRSA-N 1 2 222.292 0.383 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000926056765 646567427 /nfs/dbraw/zinc/56/74/27/646567427.db2.gz WVMPGDFZKUHAJZ-PSLIRLAXSA-N 1 2 232.349 0.971 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000926056765 646567431 /nfs/dbraw/zinc/56/74/31/646567431.db2.gz WVMPGDFZKUHAJZ-PSLIRLAXSA-N 1 2 232.349 0.971 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2ncnn21 ZINC000926108969 646576273 /nfs/dbraw/zinc/57/62/73/646576273.db2.gz DSPMIULPTHKVET-WPRPVWTQSA-N 1 2 249.318 0.400 20 0 BCADLO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)on1 ZINC000926272481 646610269 /nfs/dbraw/zinc/61/02/69/646610269.db2.gz MXYHBVMOMDEURP-YUMQZZPRSA-N 1 2 241.291 0.811 20 0 BCADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C)n2)n(C)n1 ZINC000926381767 646629692 /nfs/dbraw/zinc/62/96/92/646629692.db2.gz XHIAIVLMISXECU-SECBINFHSA-N 1 2 234.307 0.708 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000724220941 711571333 /nfs/dbraw/zinc/57/13/33/711571333.db2.gz FNFYCCWZCSGYHU-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724220941 711571335 /nfs/dbraw/zinc/57/13/35/711571335.db2.gz FNFYCCWZCSGYHU-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@@H](COC)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724748035 711610670 /nfs/dbraw/zinc/61/06/70/711610670.db2.gz ZVCXFSPFFSKFAW-NKWVEPMBSA-N 1 2 224.251 0.510 20 0 BCADLO [NH3+][C@@H](CC(=O)NC[C@H]1CCCO1)C(F)F ZINC000724728040 711610117 /nfs/dbraw/zinc/61/01/17/711610117.db2.gz VYHSIWPJZPKSGT-RQJHMYQMSA-N 1 2 222.235 0.264 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC000724889422 711625340 /nfs/dbraw/zinc/62/53/40/711625340.db2.gz LCMWLWCSBQKFMN-RKDXNWHRSA-N 1 2 243.332 0.740 20 0 BCADLO COC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725025761 711644134 /nfs/dbraw/zinc/64/41/34/711644134.db2.gz DIXJDVBGRDWGNS-SNVBAGLBSA-N 1 2 215.293 0.690 20 0 BCADLO O=C(NC[C@@H]1CC[N@H+]1CCF)C1=COCCC1 ZINC001038114823 711800089 /nfs/dbraw/zinc/80/00/89/711800089.db2.gz IRPCQPNAMKBHOW-NSHDSACASA-N 1 2 242.294 0.841 20 0 BCADLO O=C(NC[C@@H]1CC[N@@H+]1CCF)C1=COCCC1 ZINC001038114823 711800090 /nfs/dbraw/zinc/80/00/90/711800090.db2.gz IRPCQPNAMKBHOW-NSHDSACASA-N 1 2 242.294 0.841 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000709970630 712236197 /nfs/dbraw/zinc/23/61/97/712236197.db2.gz SEBGVJHRAHSFGE-SECBINFHSA-N 1 2 224.308 0.595 20 0 BCADLO O[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000378740270 712359960 /nfs/dbraw/zinc/35/99/60/712359960.db2.gz OVHDZENPKYSGDP-FBIMIBRVSA-N 1 2 207.277 0.900 20 0 BCADLO Cc1nc(CC(=O)NOCC[NH+](C)C)cs1 ZINC000379132012 712370223 /nfs/dbraw/zinc/37/02/23/712370223.db2.gz BFLNYANOYLQWCZ-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO CON(C)C(=O)C[NH+]1CCSCC1 ZINC000379396355 712382197 /nfs/dbraw/zinc/38/21/97/712382197.db2.gz FYAOBUJTXUIIDF-UHFFFAOYSA-N 1 2 204.295 0.055 20 0 BCADLO CO[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)CO ZINC000379504943 712386706 /nfs/dbraw/zinc/38/67/06/712386706.db2.gz NIRRXTDUACHPJM-HTQZYQBOSA-N 1 2 209.236 0.771 20 0 BCADLO CCCn1cc(C[NH2+]C(COC)COC)nn1 ZINC000714433037 712486711 /nfs/dbraw/zinc/48/67/11/712486711.db2.gz IOBHLKSMSMHGMG-UHFFFAOYSA-N 1 2 242.323 0.439 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715528397 712525978 /nfs/dbraw/zinc/52/59/78/712525978.db2.gz ATTSAWBTGUYVIJ-JHJVBQTASA-N 1 2 241.331 0.637 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715528397 712525980 /nfs/dbraw/zinc/52/59/80/712525980.db2.gz ATTSAWBTGUYVIJ-JHJVBQTASA-N 1 2 241.331 0.637 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC000716842384 712578185 /nfs/dbraw/zinc/57/81/85/712578185.db2.gz XXDZSZWNYWODCM-GHMZBOCLSA-N 1 2 239.319 0.939 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC000716842388 712578288 /nfs/dbraw/zinc/57/82/88/712578288.db2.gz XXDZSZWNYWODCM-QWRGUYRKSA-N 1 2 239.319 0.939 20 0 BCADLO CO[C@H]1CCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000379957924 712636578 /nfs/dbraw/zinc/63/65/78/712636578.db2.gz GLORRHJXXZDOBW-BDAKNGLRSA-N 1 2 210.281 0.472 20 0 BCADLO OC/C=C/C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000717439200 712657971 /nfs/dbraw/zinc/65/79/71/712657971.db2.gz ZRTFNBJDJAXHKO-YOLVWIGZSA-N 1 2 207.277 0.925 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000389892244 712690822 /nfs/dbraw/zinc/69/08/22/712690822.db2.gz ALDOASOXYXRUSY-IWSPIJDZSA-N 1 2 213.277 0.705 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+]CC2OCCO2)s1 ZINC000389926504 712691285 /nfs/dbraw/zinc/69/12/85/712691285.db2.gz WOPKWWCHBOCJPX-ZCFIWIBFSA-N 1 2 229.305 0.870 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CSC(=O)N1 ZINC000380163001 712703154 /nfs/dbraw/zinc/70/31/54/712703154.db2.gz CLXDBHAEZWNTQH-ZETCQYMHSA-N 1 2 240.288 0.159 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000719637447 712815051 /nfs/dbraw/zinc/81/50/51/712815051.db2.gz SIARHZBKWTUAKJ-UWVGGRQHSA-N 1 2 223.324 0.480 20 0 BCADLO C[C@]1([NH2+]CC[C@H]2CCCO2)CCOC1=O ZINC000380216635 712826959 /nfs/dbraw/zinc/82/69/59/712826959.db2.gz IKQCSLHOAFRUOX-KOLCDFICSA-N 1 2 213.277 0.851 20 0 BCADLO C[C@@]1([NH2+]CC[C@H]2CCCO2)CCOC1=O ZINC000380216655 712827071 /nfs/dbraw/zinc/82/70/71/712827071.db2.gz IKQCSLHOAFRUOX-MWLCHTKSSA-N 1 2 213.277 0.851 20 0 BCADLO Cc1cc(C[NH2+][C@]2(CO)CCOC2)no1 ZINC000720402654 712839589 /nfs/dbraw/zinc/83/95/89/712839589.db2.gz XKDFELFTIGPTCY-JTQLQIEISA-N 1 2 212.249 0.224 20 0 BCADLO CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038679431 712883133 /nfs/dbraw/zinc/88/31/33/712883133.db2.gz LKBJCVXLHCUTFD-QMMMGPOBSA-N 1 2 240.282 0.763 20 0 BCADLO CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038679431 712883137 /nfs/dbraw/zinc/88/31/37/712883137.db2.gz LKBJCVXLHCUTFD-QMMMGPOBSA-N 1 2 240.282 0.763 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001037981639 712895853 /nfs/dbraw/zinc/89/58/53/712895853.db2.gz VCOFXZXXQJOMIC-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cncs1 ZINC001037981639 712895855 /nfs/dbraw/zinc/89/58/55/712895855.db2.gz VCOFXZXXQJOMIC-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001038000531 712897456 /nfs/dbraw/zinc/89/74/56/712897456.db2.gz CEQFVNASSLVQEG-LLVKDONJSA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001038000531 712897457 /nfs/dbraw/zinc/89/74/57/712897457.db2.gz CEQFVNASSLVQEG-LLVKDONJSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@H](CO)C2CC2)no1 ZINC000393619474 710638808 /nfs/dbraw/zinc/63/88/08/710638808.db2.gz AGMYRYIZCLIVLQ-IMTBSYHQSA-N 1 2 211.265 0.800 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018376295 710665582 /nfs/dbraw/zinc/66/55/82/710665582.db2.gz SENNUUWHASFSNM-QMMMGPOBSA-N 1 2 240.332 0.639 20 0 BCADLO CCO[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381668916 710669326 /nfs/dbraw/zinc/66/93/26/710669326.db2.gz WCEWZNISXQLYPD-QMMMGPOBSA-N 1 2 224.260 0.962 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CCCNC2=O)s1 ZINC000381784045 710713711 /nfs/dbraw/zinc/71/37/11/710713711.db2.gz YKHMNJVOYDMLQN-ZETCQYMHSA-N 1 2 240.332 0.469 20 0 BCADLO C[C@H](O)[C@@H](O)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724388649 710739442 /nfs/dbraw/zinc/73/94/42/710739442.db2.gz PYNRIYOIHHIDCT-IUCAKERBSA-N 1 2 242.319 0.803 20 0 BCADLO C[C@@H](O)[C@@H](O)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724388647 710739562 /nfs/dbraw/zinc/73/95/62/710739562.db2.gz PYNRIYOIHHIDCT-BDAKNGLRSA-N 1 2 242.319 0.803 20 0 BCADLO CCCNc1cc(N(C)CCC(N)=O)nc[nH+]1 ZINC000381973581 710761512 /nfs/dbraw/zinc/76/15/12/710761512.db2.gz AHFCHBZMGLQSBR-UHFFFAOYSA-N 1 2 237.307 0.610 20 0 BCADLO CCCNc1cc(N(C)CCC(N)=O)[nH+]cn1 ZINC000381973581 710761514 /nfs/dbraw/zinc/76/15/14/710761514.db2.gz AHFCHBZMGLQSBR-UHFFFAOYSA-N 1 2 237.307 0.610 20 0 BCADLO CCC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042385627 710777823 /nfs/dbraw/zinc/77/78/23/710777823.db2.gz SNYPTRDQCBGEOK-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001042392104 710777904 /nfs/dbraw/zinc/77/79/04/710777904.db2.gz VNEYEJOPALDULS-UHFFFAOYSA-N 1 2 248.326 0.841 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cccnc2)C1 ZINC001042416382 710781684 /nfs/dbraw/zinc/78/16/84/710781684.db2.gz JEIXCFSZZPFNMV-UHFFFAOYSA-N 1 2 219.288 0.858 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnccn2)C1 ZINC001042425951 710782670 /nfs/dbraw/zinc/78/26/70/710782670.db2.gz HXPZJYHWZWCBMW-UHFFFAOYSA-N 1 2 220.276 0.253 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnc(C)cn2)C1 ZINC001042437667 710783128 /nfs/dbraw/zinc/78/31/28/710783128.db2.gz ZLUCAJHTPJJRJZ-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)ncn2)C1 ZINC001042623719 710795430 /nfs/dbraw/zinc/79/54/30/710795430.db2.gz UUWZNUBIXPWRGX-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO Cc1cnccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042694222 710795993 /nfs/dbraw/zinc/79/59/93/710795993.db2.gz LGYDJHMROJZJPD-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO CN(C(=O)C1CC(C)(C)C1)C1C[NH+](CCO)C1 ZINC001042681645 710796418 /nfs/dbraw/zinc/79/64/18/710796418.db2.gz BPWFUGNDQJJOCO-UHFFFAOYSA-N 1 2 240.347 0.558 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccsn2)C1 ZINC001043041544 710802383 /nfs/dbraw/zinc/80/23/83/710802383.db2.gz SUGWVFFVAOOWLJ-UHFFFAOYSA-N 1 2 225.317 0.919 20 0 BCADLO CN(C(=O)[C@]12C[C@H]1CCC2)C1C[NH+](CCO)C1 ZINC001043406466 710806699 /nfs/dbraw/zinc/80/66/99/710806699.db2.gz KXZNXOZJTGIWQQ-ZWNOBZJWSA-N 1 2 238.331 0.312 20 0 BCADLO Cc1nn[nH]c1C(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001043506739 710806916 /nfs/dbraw/zinc/80/69/16/710806916.db2.gz KKJJJEZSBXSCRW-UHFFFAOYSA-N 1 2 249.318 0.279 20 0 BCADLO CN(C(=O)[C@]1(C)C=CCC1)C1C[NH+](CCO)C1 ZINC001043555750 710809546 /nfs/dbraw/zinc/80/95/46/710809546.db2.gz SEURSOYMOQJTFZ-CYBMUJFWSA-N 1 2 238.331 0.478 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@H]2C)C1 ZINC001043756751 710812808 /nfs/dbraw/zinc/81/28/08/710812808.db2.gz VQYCSOLUCNNBET-MNOVXSKESA-N 1 2 240.347 0.822 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001043762361 710812961 /nfs/dbraw/zinc/81/29/61/710812961.db2.gz XSZXGQKYIKPHMW-VHSXEESVSA-N 1 2 226.320 0.167 20 0 BCADLO CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001044888329 710831339 /nfs/dbraw/zinc/83/13/39/710831339.db2.gz CFKSQANYAJYOKJ-JTQLQIEISA-N 1 2 240.332 0.639 20 0 BCADLO CCn1cc(C(=O)N(C)C2C[NH+](CC)C2)nn1 ZINC001044107371 710820543 /nfs/dbraw/zinc/82/05/43/710820543.db2.gz JAVCNWPWAPBKQZ-UHFFFAOYSA-N 1 2 237.307 0.074 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2cnns2)C1 ZINC001046091360 710845338 /nfs/dbraw/zinc/84/53/38/710845338.db2.gz OBCVUJGKMXJNJV-JTQLQIEISA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cnns2)C1 ZINC001046091360 710845341 /nfs/dbraw/zinc/84/53/41/710845341.db2.gz OBCVUJGKMXJNJV-JTQLQIEISA-N 1 2 240.332 0.639 20 0 BCADLO CN(C(=O)CC1CC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047275324 710870445 /nfs/dbraw/zinc/87/04/45/710870445.db2.gz FMOONFWAYAOWRS-QWRGUYRKSA-N 1 2 244.310 0.260 20 0 BCADLO CN(C(=O)CC1CC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047275324 710870449 /nfs/dbraw/zinc/87/04/49/710870449.db2.gz FMOONFWAYAOWRS-QWRGUYRKSA-N 1 2 244.310 0.260 20 0 BCADLO CCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053111322 710919897 /nfs/dbraw/zinc/91/98/97/710919897.db2.gz BXHGYUQVYSRZLG-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C)CCO2 ZINC001053140360 710920125 /nfs/dbraw/zinc/92/01/25/710920125.db2.gz FJUDXTXVHJWIRY-MNOVXSKESA-N 1 2 238.331 0.576 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)c1ccc[nH]1)CCO2 ZINC001053156313 710920167 /nfs/dbraw/zinc/92/01/67/710920167.db2.gz YLQQITNJNGGPDC-UHFFFAOYSA-N 1 2 249.314 0.561 20 0 BCADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053708385 710921167 /nfs/dbraw/zinc/92/11/67/710921167.db2.gz AZRITBHFPBZWJL-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)F)CO2 ZINC001053718790 710922874 /nfs/dbraw/zinc/92/28/74/710922874.db2.gz PECRHYNRXJTQLR-VIFPVBQESA-N 1 2 244.310 0.714 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(F)F)CO2 ZINC001053717896 710923623 /nfs/dbraw/zinc/92/36/23/710923623.db2.gz WZHXJRRADASWNP-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@@H](C[N@@H+]1CCOC[C@H]1CNC(C)=O)OC ZINC001050780571 710955089 /nfs/dbraw/zinc/95/50/89/710955089.db2.gz DPFOWLAFGKAXCE-NEPJUHHUSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C[N@H+]1CCOC[C@H]1CNC(C)=O)OC ZINC001050780571 710955090 /nfs/dbraw/zinc/95/50/90/710955090.db2.gz DPFOWLAFGKAXCE-NEPJUHHUSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058277679 710967515 /nfs/dbraw/zinc/96/75/15/710967515.db2.gz PAAKYLMQTBHGMA-SNVBAGLBSA-N 1 2 220.276 0.500 20 0 BCADLO CNc1cc(N2C[C@H](O)C(C)(C)C2)nc[nH+]1 ZINC000388245597 711055127 /nfs/dbraw/zinc/05/51/27/711055127.db2.gz JKSRIOXXJNGIMJ-QMMMGPOBSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2C[C@H](O)C(C)(C)C2)[nH+]cn1 ZINC000388245597 711055131 /nfs/dbraw/zinc/05/51/31/711055131.db2.gz JKSRIOXXJNGIMJ-QMMMGPOBSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2C[C@@H](O)C(C)(C)C2)nc[nH+]1 ZINC000388245596 711054361 /nfs/dbraw/zinc/05/43/61/711054361.db2.gz JKSRIOXXJNGIMJ-MRVPVSSYSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2C[C@@H](O)C(C)(C)C2)[nH+]cn1 ZINC000388245596 711054364 /nfs/dbraw/zinc/05/43/64/711054364.db2.gz JKSRIOXXJNGIMJ-MRVPVSSYSA-N 1 2 222.292 0.725 20 0 BCADLO CC[N@@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001069848845 711071911 /nfs/dbraw/zinc/07/19/11/711071911.db2.gz QXNKHKRETBGFAA-UHFFFAOYSA-N 1 2 222.292 0.355 20 0 BCADLO CC[N@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001069848845 711071913 /nfs/dbraw/zinc/07/19/13/711071913.db2.gz QXNKHKRETBGFAA-UHFFFAOYSA-N 1 2 222.292 0.355 20 0 BCADLO COCCN1CC[C@H]([NH2+][C@H](C)C(F)F)C1 ZINC000389914775 711096901 /nfs/dbraw/zinc/09/69/01/711096901.db2.gz MHWSRKBZSJLPHU-BDAKNGLRSA-N 1 2 222.279 0.950 20 0 BCADLO CNc1cc(N[C@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000392043086 711143319 /nfs/dbraw/zinc/14/33/19/711143319.db2.gz XYXGEXPMUGDLEH-SSDOTTSWSA-N 1 2 233.279 0.820 20 0 BCADLO CNc1cc(N[C@H](C)c2ncn(C)n2)[nH+]cn1 ZINC000392043086 711143324 /nfs/dbraw/zinc/14/33/24/711143324.db2.gz XYXGEXPMUGDLEH-SSDOTTSWSA-N 1 2 233.279 0.820 20 0 BCADLO CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncccn2)C1 ZINC001071283163 711184972 /nfs/dbraw/zinc/18/49/72/711184972.db2.gz ULHPZRWLZKEKSG-JQWIXIFHSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncccn2)C1 ZINC001071283163 711184975 /nfs/dbraw/zinc/18/49/75/711184975.db2.gz ULHPZRWLZKEKSG-JQWIXIFHSA-N 1 2 248.330 0.966 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394758711 711198144 /nfs/dbraw/zinc/19/81/44/711198144.db2.gz RODFLOATQSTRGJ-GFCCVEGCSA-N 1 2 237.347 0.459 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394758711 711198149 /nfs/dbraw/zinc/19/81/49/711198149.db2.gz RODFLOATQSTRGJ-GFCCVEGCSA-N 1 2 237.347 0.459 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000394935009 711199593 /nfs/dbraw/zinc/19/95/93/711199593.db2.gz AWQBOYAWBMTFBV-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000394935009 711199595 /nfs/dbraw/zinc/19/95/95/711199595.db2.gz AWQBOYAWBMTFBV-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO Nc1ccc(CN2CCCCS2(=O)=O)c[nH+]1 ZINC000395654541 711214755 /nfs/dbraw/zinc/21/47/55/711214755.db2.gz SIKURFIYAJDXJR-UHFFFAOYSA-N 1 2 241.316 0.420 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1csc(C)n1 ZINC000397524844 711385183 /nfs/dbraw/zinc/38/51/83/711385183.db2.gz NDNWCHVEYLHFKR-UHFFFAOYSA-N 1 2 229.305 0.561 20 0 BCADLO CNC(=O)CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000398303280 711406770 /nfs/dbraw/zinc/40/67/70/711406770.db2.gz NSYZUFJWTSPGRK-SECBINFHSA-N 1 2 244.335 0.832 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn[nH]2)[C@H]1OC ZINC000398414362 711409004 /nfs/dbraw/zinc/40/90/04/711409004.db2.gz RXQSYBCRKBHQPQ-OPRDCNLKSA-N 1 2 226.280 0.087 20 0 BCADLO Cc1nc(NCCSC(C)(C)C)nc(N)[nH+]1 ZINC000398466211 711410420 /nfs/dbraw/zinc/41/04/20/711410420.db2.gz UVKISBDNKUFUPQ-UHFFFAOYSA-N 1 2 241.364 0.958 20 0 BCADLO Cc1nc(N)nc(NCCSC(C)(C)C)[nH+]1 ZINC000398466211 711410421 /nfs/dbraw/zinc/41/04/21/711410421.db2.gz UVKISBDNKUFUPQ-UHFFFAOYSA-N 1 2 241.364 0.958 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000398483252 711410594 /nfs/dbraw/zinc/41/05/94/711410594.db2.gz XXWICOUEQHQDJO-QMMMGPOBSA-N 1 2 235.291 0.091 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000398483252 711410597 /nfs/dbraw/zinc/41/05/97/711410597.db2.gz XXWICOUEQHQDJO-QMMMGPOBSA-N 1 2 235.291 0.091 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccsn1 ZINC001014874091 710613467 /nfs/dbraw/zinc/61/34/67/710613467.db2.gz GRDNWAKWTQNQHM-QMMMGPOBSA-N 1 2 243.307 0.917 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccsn1 ZINC001014874091 710613463 /nfs/dbraw/zinc/61/34/63/710613463.db2.gz GRDNWAKWTQNQHM-QMMMGPOBSA-N 1 2 243.307 0.917 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2CCCC2)C1 ZINC001042400070 710781325 /nfs/dbraw/zinc/78/13/25/710781325.db2.gz CADIOSHJPPUGBH-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccccn2)C1 ZINC001042411217 710781523 /nfs/dbraw/zinc/78/15/23/710781523.db2.gz XKCWVTYDRAZIPQ-UHFFFAOYSA-N 1 2 219.288 0.858 20 0 BCADLO CCc1n[nH]cc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043196420 710803753 /nfs/dbraw/zinc/80/37/53/710803753.db2.gz OJROWUWAPRXRAE-UHFFFAOYSA-N 1 2 236.319 0.748 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2nccc(C)n2)C1 ZINC001046085485 710844887 /nfs/dbraw/zinc/84/48/87/710844887.db2.gz ALKSVZGQUUZLFO-CYBMUJFWSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001046085485 710844893 /nfs/dbraw/zinc/84/48/93/710844893.db2.gz ALKSVZGQUUZLFO-CYBMUJFWSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053113226 710917786 /nfs/dbraw/zinc/91/77/86/710917786.db2.gz GBLMXVAFYRIBHL-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053898234 710922084 /nfs/dbraw/zinc/92/20/84/710922084.db2.gz FSIALGFCUKKXQR-DCAQKATOSA-N 1 2 238.331 0.622 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000384993536 711002698 /nfs/dbraw/zinc/00/26/98/711002698.db2.gz FAPWHBQUIPWAII-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000384993536 711002699 /nfs/dbraw/zinc/00/26/99/711002699.db2.gz FAPWHBQUIPWAII-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO CC(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001071359750 711190138 /nfs/dbraw/zinc/19/01/38/711190138.db2.gz ZSOMQTZOEYDDNH-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001071359750 711190139 /nfs/dbraw/zinc/19/01/39/711190139.db2.gz ZSOMQTZOEYDDNH-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)C[C@@H]1O ZINC000399892793 711436823 /nfs/dbraw/zinc/43/68/23/711436823.db2.gz YRMXWLYBKLXYBN-BDAKNGLRSA-N 1 2 222.292 0.725 20 0 BCADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)C[C@@H]1O ZINC000399892793 711436826 /nfs/dbraw/zinc/43/68/26/711436826.db2.gz YRMXWLYBKLXYBN-BDAKNGLRSA-N 1 2 222.292 0.725 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000383449290 711448143 /nfs/dbraw/zinc/44/81/43/711448143.db2.gz JJYGXHXSAARLFS-LLVKDONJSA-N 1 2 235.291 0.677 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)CCC(N)=O ZINC000932479345 711468130 /nfs/dbraw/zinc/46/81/30/711468130.db2.gz UOJOBQGUSFCJCD-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)CCC(N)=O ZINC000932479345 711468132 /nfs/dbraw/zinc/46/81/32/711468132.db2.gz UOJOBQGUSFCJCD-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO CCCn1cc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)nn1 ZINC000715897710 711485126 /nfs/dbraw/zinc/48/51/26/711485126.db2.gz RXAJQOLSIHUGPC-FBIMIBRVSA-N 1 2 240.307 0.098 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H](CO)COC)n1 ZINC000926337299 711572740 /nfs/dbraw/zinc/57/27/40/711572740.db2.gz KPWYSKTULFXYHE-WPRPVWTQSA-N 1 2 242.323 0.264 20 0 BCADLO COCCN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000724730409 711610210 /nfs/dbraw/zinc/61/02/10/711610210.db2.gz SKTMYNXBAVGONS-LURJTMIESA-N 1 2 210.224 0.074 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC12CC(O)C2 ZINC000724984307 711640273 /nfs/dbraw/zinc/64/02/73/711640273.db2.gz BIEWTURCFWTNBA-AZOHRERUSA-N 1 2 245.286 0.689 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000719637448 711672885 /nfs/dbraw/zinc/67/28/85/711672885.db2.gz SIARHZBKWTUAKJ-VHSXEESVSA-N 1 2 223.324 0.480 20 0 BCADLO CN(C)c1cc(N(C)Cc2cnccn2)nc[nH+]1 ZINC000892595568 711678210 /nfs/dbraw/zinc/67/82/10/711678210.db2.gz VXOXLVKJCMVBGX-UHFFFAOYSA-N 1 2 244.302 0.969 20 0 BCADLO CN(C)c1cc(N(C)Cc2cnccn2)[nH+]cn1 ZINC000892595568 711678212 /nfs/dbraw/zinc/67/82/12/711678212.db2.gz VXOXLVKJCMVBGX-UHFFFAOYSA-N 1 2 244.302 0.969 20 0 BCADLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027256025 711720883 /nfs/dbraw/zinc/72/08/83/711720883.db2.gz URMKFTQBZPRMFF-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027256025 711720885 /nfs/dbraw/zinc/72/08/85/711720885.db2.gz URMKFTQBZPRMFF-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC000336290765 711733001 /nfs/dbraw/zinc/73/30/01/711733001.db2.gz FYRYHZNWLATFPU-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)nn1 ZINC000893555957 711735811 /nfs/dbraw/zinc/73/58/11/711735811.db2.gz NBQNVWHZKZNKES-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)nn1 ZINC000893555957 711735813 /nfs/dbraw/zinc/73/58/13/711735813.db2.gz NBQNVWHZKZNKES-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2CCCO2)[nH+]c1C ZINC000896915115 711783929 /nfs/dbraw/zinc/78/39/29/711783929.db2.gz BFOUTDDQDLTLJU-SECBINFHSA-N 1 2 223.276 0.822 20 0 BCADLO COC(=O)c1ncn(C[NH+]2CCC(C)CC2)n1 ZINC000067745702 711797001 /nfs/dbraw/zinc/79/70/01/711797001.db2.gz WKSSBPOLJFBEQT-UHFFFAOYSA-N 1 2 238.291 0.754 20 0 BCADLO CC(C)=CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913476412 711822526 /nfs/dbraw/zinc/82/25/26/711822526.db2.gz XJLITMXSCALEBU-GFCCVEGCSA-N 1 2 248.330 0.859 20 0 BCADLO Cn1cc([C@@H]2CN(C(=O)C3CCC3)CC[NH2+]2)cn1 ZINC000913475898 711822543 /nfs/dbraw/zinc/82/25/43/711822543.db2.gz PXWRVHVFXPBGNT-LBPRGKRZSA-N 1 2 248.330 0.693 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030056963 711825775 /nfs/dbraw/zinc/82/57/75/711825775.db2.gz YZVBQANFVANNAI-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030090285 711826213 /nfs/dbraw/zinc/82/62/13/711826213.db2.gz SINBMUWCKXOPAX-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC=CCC1 ZINC001030099934 711826477 /nfs/dbraw/zinc/82/64/77/711826477.db2.gz YKDQCUFZZMLKQF-SNVBAGLBSA-N 1 2 224.304 0.135 20 0 BCADLO CC[N@H+](CCC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000057522481 711826849 /nfs/dbraw/zinc/82/68/49/711826849.db2.gz JRQJDRHDQCLCIQ-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO CC[N@@H+](CCC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000057522481 711826850 /nfs/dbraw/zinc/82/68/50/711826850.db2.gz JRQJDRHDQCLCIQ-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO COCC[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030182782 711827537 /nfs/dbraw/zinc/82/75/37/711827537.db2.gz BZYRMTRXVWINFS-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030183761 711827600 /nfs/dbraw/zinc/82/76/00/711827600.db2.gz LDTJOWMSPYCWJU-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn3c(n2)CCC3)C1 ZINC001030332594 711831169 /nfs/dbraw/zinc/83/11/69/711831169.db2.gz DKLXLDYZDJMKQV-UHFFFAOYSA-N 1 2 234.303 0.263 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001030507097 711835595 /nfs/dbraw/zinc/83/55/95/711835595.db2.gz ZZWZXRUTQCMROS-JTQLQIEISA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NC1C[NH+](CCCO)C1)C1CCC1 ZINC001030508656 711835679 /nfs/dbraw/zinc/83/56/79/711835679.db2.gz CQCWWWLSBSQOPV-JTQLQIEISA-N 1 2 240.347 0.605 20 0 BCADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000228719256 711835963 /nfs/dbraw/zinc/83/59/63/711835963.db2.gz YOUZNZILUFODMP-ZJUUUORDSA-N 1 2 217.309 0.936 20 0 BCADLO C[C@@]1(C(=O)NC2C[NH+](CCO)C2)C=CCC1 ZINC001030797380 711843237 /nfs/dbraw/zinc/84/32/37/711843237.db2.gz AVXMKRVCFOLLSD-GFCCVEGCSA-N 1 2 224.304 0.135 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2ncccn2)C1 ZINC001046086750 711844835 /nfs/dbraw/zinc/84/48/35/711844835.db2.gz LLAYXSDNDKTTLI-GFCCVEGCSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncccn2)C1 ZINC001046086750 711844837 /nfs/dbraw/zinc/84/48/37/711844837.db2.gz LLAYXSDNDKTTLI-GFCCVEGCSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2nonc2C)C1 ZINC001046086869 711844865 /nfs/dbraw/zinc/84/48/65/711844865.db2.gz LVBAOCLFKUIEMS-LLVKDONJSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2nonc2C)C1 ZINC001046086869 711844867 /nfs/dbraw/zinc/84/48/67/711844867.db2.gz LVBAOCLFKUIEMS-LLVKDONJSA-N 1 2 238.291 0.479 20 0 BCADLO CC(C)=CC[NH+]1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001032058204 711901862 /nfs/dbraw/zinc/90/18/62/711901862.db2.gz KRBORCSFINOAPA-UHFFFAOYSA-N 1 2 249.318 0.433 20 0 BCADLO CNc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)nc[nH+]1 ZINC000131407535 711918904 /nfs/dbraw/zinc/91/89/04/711918904.db2.gz HRCYPZBWQCWAFB-IUCAKERBSA-N 1 2 249.318 0.609 20 0 BCADLO CNc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)[nH+]cn1 ZINC000131407535 711918905 /nfs/dbraw/zinc/91/89/05/711918905.db2.gz HRCYPZBWQCWAFB-IUCAKERBSA-N 1 2 249.318 0.609 20 0 BCADLO CC(C)C1(O)C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000084376651 711924775 /nfs/dbraw/zinc/92/47/75/711924775.db2.gz ACHIAQCLPNQTHG-VIFPVBQESA-N 1 2 214.309 0.166 20 0 BCADLO CO[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360109215 711959572 /nfs/dbraw/zinc/95/95/72/711959572.db2.gz FGWQINHIVWGORQ-SNVBAGLBSA-N 1 2 238.291 0.350 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC(=O)O1 ZINC000922541532 711973678 /nfs/dbraw/zinc/97/36/78/711973678.db2.gz KQHVANAMUPSVNI-QMMMGPOBSA-N 1 2 236.227 0.413 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000700166494 711987229 /nfs/dbraw/zinc/98/72/29/711987229.db2.gz HKCZPVKIJXMJHJ-JTQLQIEISA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000700166494 711987232 /nfs/dbraw/zinc/98/72/32/711987232.db2.gz HKCZPVKIJXMJHJ-JTQLQIEISA-N 1 2 212.293 0.399 20 0 BCADLO CC[S@@](=O)CC[NH2+]Cc1ncc(C)o1 ZINC000700402428 711991956 /nfs/dbraw/zinc/99/19/56/711991956.db2.gz JUJTVDMVHUYHTG-CQSZACIVSA-N 1 2 216.306 0.841 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(Cl)nn1 ZINC000703935025 712095034 /nfs/dbraw/zinc/09/50/34/712095034.db2.gz QWUREEQPXVPHGH-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(Cl)nn1 ZINC000703935025 712095035 /nfs/dbraw/zinc/09/50/35/712095035.db2.gz QWUREEQPXVPHGH-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703973292 712096849 /nfs/dbraw/zinc/09/68/49/712096849.db2.gz OXPAVRCPORMJOR-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)nn1 ZINC000703973292 712096850 /nfs/dbraw/zinc/09/68/50/712096850.db2.gz OXPAVRCPORMJOR-JTQLQIEISA-N 1 2 249.318 0.159 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccc(N)nn1 ZINC000703981589 712098150 /nfs/dbraw/zinc/09/81/50/712098150.db2.gz UXABQGSGQOCVLS-UHFFFAOYSA-N 1 2 237.307 0.146 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccc(N)nn1 ZINC000703981589 712098151 /nfs/dbraw/zinc/09/81/51/712098151.db2.gz UXABQGSGQOCVLS-UHFFFAOYSA-N 1 2 237.307 0.146 20 0 BCADLO CNc1cc(N[C@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000704332622 712104277 /nfs/dbraw/zinc/10/42/77/712104277.db2.gz DVRAHUAVJQNKMH-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO CNc1cc(N[C@H]2CCCN(C)C2=O)[nH+]cn1 ZINC000704332622 712104279 /nfs/dbraw/zinc/10/42/79/712104279.db2.gz DVRAHUAVJQNKMH-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO COC(C[N@@H+]1CCO[C@@](C)(C(F)F)C1)OC ZINC000704999694 712122310 /nfs/dbraw/zinc/12/23/10/712122310.db2.gz QXVBMOYCAJSRCG-SNVBAGLBSA-N 1 2 239.262 0.961 20 0 BCADLO COC(C[N@H+]1CCO[C@@](C)(C(F)F)C1)OC ZINC000704999694 712122312 /nfs/dbraw/zinc/12/23/12/712122312.db2.gz QXVBMOYCAJSRCG-SNVBAGLBSA-N 1 2 239.262 0.961 20 0 BCADLO C[N@H+](Cc1ccc(Cl)nn1)[C@@H]1COC[C@H]1O ZINC000708745113 712198216 /nfs/dbraw/zinc/19/82/16/712198216.db2.gz FTLHZLSIUMTLGI-RKDXNWHRSA-N 1 2 243.694 0.322 20 0 BCADLO C[N@@H+](Cc1ccc(Cl)nn1)[C@@H]1COC[C@H]1O ZINC000708745113 712198217 /nfs/dbraw/zinc/19/82/17/712198217.db2.gz FTLHZLSIUMTLGI-RKDXNWHRSA-N 1 2 243.694 0.322 20 0 BCADLO CNc1cc(N(C)[C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000708506488 712212279 /nfs/dbraw/zinc/21/22/79/712212279.db2.gz MMLUSOZPJYXTBH-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N(C)[C@@H]2CCN(C)C2=O)[nH+]cn1 ZINC000708506488 712212281 /nfs/dbraw/zinc/21/22/81/712212281.db2.gz MMLUSOZPJYXTBH-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccoc1 ZINC000710157443 712246036 /nfs/dbraw/zinc/24/60/36/712246036.db2.gz CQGVPUQQBXFZDG-NXEZZACHSA-N 1 2 245.300 0.181 20 0 BCADLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000710157445 712246447 /nfs/dbraw/zinc/24/64/47/712246447.db2.gz CQGVPUQQBXFZDG-UWVGGRQHSA-N 1 2 245.300 0.181 20 0 BCADLO CCn1cc(C[NH2+][C@H]2CCC2(OC)OC)nn1 ZINC000711007419 712274157 /nfs/dbraw/zinc/27/41/57/712274157.db2.gz YHEWTGHIJZKQLU-JTQLQIEISA-N 1 2 240.307 0.539 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(F)c2)C1 ZINC000379083443 712369365 /nfs/dbraw/zinc/36/93/65/712369365.db2.gz BVNSCUKRBNSTQW-UHFFFAOYSA-N 1 2 223.251 0.655 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(F)nc2)C1 ZINC000379107834 712369420 /nfs/dbraw/zinc/36/94/20/712369420.db2.gz SEYXJZKEUBKTPF-UHFFFAOYSA-N 1 2 223.251 0.655 20 0 BCADLO CC[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)OC ZINC000379593424 712389640 /nfs/dbraw/zinc/38/96/40/712389640.db2.gz BRWNNMAAYOXNNR-RKDXNWHRSA-N 1 2 201.266 0.299 20 0 BCADLO CC[C@H](COC)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724748038 712392445 /nfs/dbraw/zinc/39/24/45/712392445.db2.gz ZVCXFSPFFSKFAW-RQJHMYQMSA-N 1 2 224.251 0.510 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1c(O)cccc1F ZINC000712284716 712394446 /nfs/dbraw/zinc/39/44/46/712394446.db2.gz NSBWTJQNKWWGQX-QMMMGPOBSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1c(O)cccc1F ZINC000712284716 712394447 /nfs/dbraw/zinc/39/44/47/712394447.db2.gz NSBWTJQNKWWGQX-QMMMGPOBSA-N 1 2 238.262 0.965 20 0 BCADLO CCn1ccnc1CNC[C@@H]1CC[N@@H+]1C ZINC000712606589 712437316 /nfs/dbraw/zinc/43/73/16/712437316.db2.gz JOQWPYQSIBXRSD-JTQLQIEISA-N 1 2 208.309 0.697 20 0 BCADLO CCn1ccnc1CNC[C@@H]1CC[N@H+]1C ZINC000712606589 712437317 /nfs/dbraw/zinc/43/73/17/712437317.db2.gz JOQWPYQSIBXRSD-JTQLQIEISA-N 1 2 208.309 0.697 20 0 BCADLO CC[NH+]1CCC(NC[C@H]2CC[N@@H+]2C)CC1 ZINC000712613934 712437901 /nfs/dbraw/zinc/43/79/01/712437901.db2.gz PSWKKSBGEGMUPF-GFCCVEGCSA-N 1 2 211.353 0.764 20 0 BCADLO CCCn1cc(C[NH2+]CC(=O)NC(C)C)nn1 ZINC000714461929 712490733 /nfs/dbraw/zinc/49/07/33/712490733.db2.gz WQTYATKEONCMMO-UHFFFAOYSA-N 1 2 239.323 0.302 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1COC(C)(C)O1)C(C)C ZINC000715125039 712510883 /nfs/dbraw/zinc/51/08/83/712510883.db2.gz HIWVTJSGBILLGX-VHSXEESVSA-N 1 2 245.319 0.925 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715528393 712526326 /nfs/dbraw/zinc/52/63/26/712526326.db2.gz ATTSAWBTGUYVIJ-FRRDWIJNSA-N 1 2 241.331 0.637 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715528393 712526328 /nfs/dbraw/zinc/52/63/28/712526328.db2.gz ATTSAWBTGUYVIJ-FRRDWIJNSA-N 1 2 241.331 0.637 20 0 BCADLO c1nc(C[NH2+][C@@H]2CCCC23OCCO3)c[nH]1 ZINC000715760942 712531880 /nfs/dbraw/zinc/53/18/80/712531880.db2.gz JSKYSJLQWJQNNU-SNVBAGLBSA-N 1 2 223.276 0.795 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cn(C)nn1 ZINC000715839805 712535216 /nfs/dbraw/zinc/53/52/16/712535216.db2.gz VXPHKZYKZKONNL-VDTYLAMSSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cn(C)nn1 ZINC000715875883 712538288 /nfs/dbraw/zinc/53/82/88/712538288.db2.gz ITGXMBOIODJPDK-RKDXNWHRSA-N 1 2 237.307 0.134 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715903100 712541442 /nfs/dbraw/zinc/54/14/42/712541442.db2.gz QRKNWYBGZDUVNN-IUCAKERBSA-N 1 2 239.323 0.379 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716398028 712558194 /nfs/dbraw/zinc/55/81/94/712558194.db2.gz GMSSHRYRPUEOLH-UHFFFAOYSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1c(Cl)cnc1C[NH2+]CC1OCCCO1 ZINC000716413470 712559442 /nfs/dbraw/zinc/55/94/42/712559442.db2.gz QPUIRVBYLRSKGR-UHFFFAOYSA-N 1 2 245.710 0.926 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC000716842390 712578370 /nfs/dbraw/zinc/57/83/70/712578370.db2.gz XXDZSZWNYWODCM-WDEREUQCSA-N 1 2 239.319 0.939 20 0 BCADLO CC(C)[N@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000812862466 712587091 /nfs/dbraw/zinc/58/70/91/712587091.db2.gz UEGFYAZCAVZEGX-NSHDSACASA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000812862466 712587092 /nfs/dbraw/zinc/58/70/92/712587092.db2.gz UEGFYAZCAVZEGX-NSHDSACASA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H](O)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855057370 712614681 /nfs/dbraw/zinc/61/46/81/712614681.db2.gz USTGRPBFLXLUEE-QMMMGPOBSA-N 1 2 223.276 0.324 20 0 BCADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cnc[nH]1 ZINC000379960632 712636787 /nfs/dbraw/zinc/63/67/87/712636787.db2.gz MRCINWPYKRXFOR-UHFFFAOYSA-N 1 2 231.321 0.323 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000380190121 712709257 /nfs/dbraw/zinc/70/92/57/712709257.db2.gz OPFDBENEOKSBAG-WPRPVWTQSA-N 1 2 215.293 0.689 20 0 BCADLO C([NH2+][C@@H]1CNOC1)c1nc2c(s1)CCC2 ZINC000719573966 712813975 /nfs/dbraw/zinc/81/39/75/712813975.db2.gz FSXDKPWCFYWRAQ-SSDOTTSWSA-N 1 2 225.317 0.625 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1ccns1 ZINC000719854393 712826040 /nfs/dbraw/zinc/82/60/40/712826040.db2.gz PJEBZRGIITXDHK-UWVGGRQHSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1ccns1 ZINC000719854393 712826041 /nfs/dbraw/zinc/82/60/41/712826041.db2.gz PJEBZRGIITXDHK-UWVGGRQHSA-N 1 2 242.344 0.767 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000602093682 349447701 /nfs/dbraw/zinc/44/77/01/349447701.db2.gz OBSQCZAVHFNKHP-JTQLQIEISA-N 1 2 244.360 0.062 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000602093682 349447705 /nfs/dbraw/zinc/44/77/05/349447705.db2.gz OBSQCZAVHFNKHP-JTQLQIEISA-N 1 2 244.360 0.062 20 0 BCADLO CCC(CC)(CCO)[NH2+]CC(=O)OC ZINC000336645469 168320565 /nfs/dbraw/zinc/32/05/65/168320565.db2.gz BRNBVDYPHKUCCB-UHFFFAOYSA-N 1 2 203.282 0.690 20 0 BCADLO Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)nn1C ZINC000408163798 136211730 /nfs/dbraw/zinc/21/17/30/136211730.db2.gz HOIMEMDANOBNCL-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO Cc1cc(N2C[C@@H]3COC[C@H](C2)O3)nc[nH+]1 ZINC000337826090 132455309 /nfs/dbraw/zinc/45/53/09/132455309.db2.gz SXYLGYUKUYUZOO-AOOOYVTPSA-N 1 2 221.260 0.389 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(C)(CO)CO)nc1 ZINC000336710806 187321658 /nfs/dbraw/zinc/32/16/58/187321658.db2.gz LMNFEWHZGNUNIH-UHFFFAOYSA-N 1 2 239.319 0.208 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(C)(CO)CO)nc1 ZINC000336710806 187321660 /nfs/dbraw/zinc/32/16/60/187321660.db2.gz LMNFEWHZGNUNIH-UHFFFAOYSA-N 1 2 239.319 0.208 20 0 BCADLO CCC(CC)([NH2+]CCC(=O)NC)C(=O)OC ZINC000309419064 168331562 /nfs/dbraw/zinc/33/15/62/168331562.db2.gz DFTPRCHXNGDBTJ-UHFFFAOYSA-N 1 2 230.308 0.444 20 0 BCADLO COC[C@]1(C)C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000626176138 346816833 /nfs/dbraw/zinc/81/68/33/346816833.db2.gz GOZSRJJBTINKOA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@]1(C)C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000626176138 346816836 /nfs/dbraw/zinc/81/68/36/346816836.db2.gz GOZSRJJBTINKOA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000378718938 346815054 /nfs/dbraw/zinc/81/50/54/346815054.db2.gz DRBMXWDZQSXZED-IWSPIJDZSA-N 1 2 201.266 0.705 20 0 BCADLO CCC(CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000020356139 168334586 /nfs/dbraw/zinc/33/45/86/168334586.db2.gz PITHIMJKINBXFT-UHFFFAOYSA-N 1 2 228.336 0.559 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1cccnc1 ZINC000299678434 398151233 /nfs/dbraw/zinc/15/12/33/398151233.db2.gz SDYHMOHHZOWLHR-UHFFFAOYSA-N 1 2 230.271 0.985 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1ncnn1CCF ZINC000649871013 398153148 /nfs/dbraw/zinc/15/31/48/398153148.db2.gz PSUCGNXBSHYXIL-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1ncnn1CCF ZINC000649871013 398153152 /nfs/dbraw/zinc/15/31/52/398153152.db2.gz PSUCGNXBSHYXIL-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000285598095 178009785 /nfs/dbraw/zinc/00/97/85/178009785.db2.gz FPDHJEALYGAUMI-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)n(C)n1 ZINC000284248053 178010617 /nfs/dbraw/zinc/01/06/17/178010617.db2.gz WVUCMZZGHPGNQO-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO Cc1cc(CNC(=O)Cc2[nH]c[nH+]c2C)n(C)n1 ZINC000356028604 178012499 /nfs/dbraw/zinc/01/24/99/178012499.db2.gz IQEAUAIXLANVLT-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1cc(CNC(=O)Cc2[nH+]c[nH]c2C)n(C)n1 ZINC000356028604 178012501 /nfs/dbraw/zinc/01/25/01/178012501.db2.gz IQEAUAIXLANVLT-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO CC[C@@H](F)C[N@H+](C)[C@H](COC)C(N)=O ZINC000339356714 398155442 /nfs/dbraw/zinc/15/54/42/398155442.db2.gz BGQGULMWXFPGMA-HTQZYQBOSA-N 1 2 206.261 0.167 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)[C@H](COC)C(N)=O ZINC000339356714 398155444 /nfs/dbraw/zinc/15/54/44/398155444.db2.gz BGQGULMWXFPGMA-HTQZYQBOSA-N 1 2 206.261 0.167 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnnn2C)[C@@H](C)C1 ZINC000408426983 136213847 /nfs/dbraw/zinc/21/38/47/136213847.db2.gz YDRLMOIWDOHPDO-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnnn2C)[C@@H](C)C1 ZINC000408426983 136213848 /nfs/dbraw/zinc/21/38/48/136213848.db2.gz YDRLMOIWDOHPDO-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339764848 398167460 /nfs/dbraw/zinc/16/74/60/398167460.db2.gz VILJBUNKMZCTMG-VXGBXAGGSA-N 1 2 243.303 0.069 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C1COCCOC1 ZINC000379826026 398169685 /nfs/dbraw/zinc/16/96/85/398169685.db2.gz WPFINYCVQNISSP-UHFFFAOYSA-N 1 2 211.265 0.223 20 0 BCADLO Cc1cc(C[NH2+]Cc2nnn(C)n2)ccc1F ZINC000362960437 178029031 /nfs/dbraw/zinc/02/90/31/178029031.db2.gz NPDUQNKCDIKHCB-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000305753086 136215236 /nfs/dbraw/zinc/21/52/36/136215236.db2.gz UEFKORGDCZFDBL-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H](O)C1 ZINC000305753086 136215237 /nfs/dbraw/zinc/21/52/37/136215237.db2.gz UEFKORGDCZFDBL-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCOC1 ZINC000109888921 136215482 /nfs/dbraw/zinc/21/54/82/136215482.db2.gz GHXIPKPBWXRMIP-ZETCQYMHSA-N 1 2 208.217 0.762 20 0 BCADLO CN(C)c1ccc(NC(=O)Cn2cc[nH+]c2)nc1 ZINC000558643871 398183561 /nfs/dbraw/zinc/18/35/61/398183561.db2.gz LKEUMAKLRGOGAN-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO CCc1cc(C)[nH+]c(N2CCOCCN2)n1 ZINC000649365570 398177738 /nfs/dbraw/zinc/17/77/38/398177738.db2.gz WCAQEQPYMAIOBV-UHFFFAOYSA-N 1 2 222.292 0.689 20 0 BCADLO CCc1cc(C)nc(N2CCOCCN2)[nH+]1 ZINC000649365570 398177742 /nfs/dbraw/zinc/17/77/42/398177742.db2.gz WCAQEQPYMAIOBV-UHFFFAOYSA-N 1 2 222.292 0.689 20 0 BCADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCO ZINC000649881972 398161719 /nfs/dbraw/zinc/16/17/19/398161719.db2.gz GXWJJFKJZPQICW-LLVKDONJSA-N 1 2 225.292 0.176 20 0 BCADLO Cn1nccc1[C@H]1COCC[N@H+]1CCCO ZINC000649881972 398161721 /nfs/dbraw/zinc/16/17/21/398161721.db2.gz GXWJJFKJZPQICW-LLVKDONJSA-N 1 2 225.292 0.176 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885050 398163556 /nfs/dbraw/zinc/16/35/56/398163556.db2.gz GYVADIQJPCEHJT-PWSUYJOCSA-N 1 2 239.319 0.564 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885050 398163558 /nfs/dbraw/zinc/16/35/58/398163558.db2.gz GYVADIQJPCEHJT-PWSUYJOCSA-N 1 2 239.319 0.564 20 0 BCADLO CN(CC[NH+]1CCCCC1)Cc1cnn[nH]1 ZINC000649889597 398165775 /nfs/dbraw/zinc/16/57/75/398165775.db2.gz FVNMIMDHZVUTRI-UHFFFAOYSA-N 1 2 223.324 0.722 20 0 BCADLO Cc1nc(NC(=O)[C@H]2COCC[NH2+]2)sc1C ZINC000083873242 398186915 /nfs/dbraw/zinc/18/69/15/398186915.db2.gz FSRFKSKSGVATSU-MRVPVSSYSA-N 1 2 241.316 0.687 20 0 BCADLO Cc1nc(N[C@H](CO)C2CCCC2)nc(N)[nH+]1 ZINC000386195796 398199316 /nfs/dbraw/zinc/19/93/16/398199316.db2.gz FBLHBEAWTQWWTB-SECBINFHSA-N 1 2 237.307 0.556 20 0 BCADLO C[C@H](CC(=O)NCCn1ccnn1)n1cc[nH+]c1 ZINC000649916595 398187146 /nfs/dbraw/zinc/18/71/46/398187146.db2.gz GYQIWQGLYYESEI-SNVBAGLBSA-N 1 2 248.290 0.242 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)C2CCCC2)[nH+]1 ZINC000386195796 398199319 /nfs/dbraw/zinc/19/93/19/398199319.db2.gz FBLHBEAWTQWWTB-SECBINFHSA-N 1 2 237.307 0.556 20 0 BCADLO CC[C@@H](O)[C@@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000313114123 398187633 /nfs/dbraw/zinc/18/76/33/398187633.db2.gz LKTQWVMDYUHAFU-NXEZZACHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1nc(=NC(=O)C[C@H](C)n2cc[nH+]c2)n(C)[nH]1 ZINC000649922954 398188556 /nfs/dbraw/zinc/18/85/56/398188556.db2.gz ONOFVRHNMNOIAI-QMMMGPOBSA-N 1 2 248.290 0.332 20 0 BCADLO Cc1nc(N[C@@H](CO)C2CCCC2)nc(N)[nH+]1 ZINC000386195797 398199545 /nfs/dbraw/zinc/19/95/45/398199545.db2.gz FBLHBEAWTQWWTB-VIFPVBQESA-N 1 2 237.307 0.556 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)C2CCCC2)[nH+]1 ZINC000386195797 398199551 /nfs/dbraw/zinc/19/95/51/398199551.db2.gz FBLHBEAWTQWWTB-VIFPVBQESA-N 1 2 237.307 0.556 20 0 BCADLO Cc1nnsc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000576231003 365530936 /nfs/dbraw/zinc/53/09/36/365530936.db2.gz WHLZFYXRUVILIK-UHFFFAOYSA-N 1 2 240.332 0.557 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000649942942 398193094 /nfs/dbraw/zinc/19/30/94/398193094.db2.gz CVLMQCZQKQQFHU-GARJFASQSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000649942942 398193099 /nfs/dbraw/zinc/19/30/99/398193099.db2.gz CVLMQCZQKQQFHU-GARJFASQSA-N 1 2 244.310 0.666 20 0 BCADLO Cc1cc(N)nc(SCc2cnnn2C)[nH+]1 ZINC000289543175 178109811 /nfs/dbraw/zinc/10/98/11/178109811.db2.gz CRYOJHRBMJTCAI-UHFFFAOYSA-N 1 2 236.304 0.788 20 0 BCADLO Cc1cc(N)nc(SCc2nnnn2C)[nH+]1 ZINC000309270302 178110244 /nfs/dbraw/zinc/11/02/44/178110244.db2.gz KVZSWCDSUMLVQP-UHFFFAOYSA-N 1 2 237.292 0.183 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398340863 398200809 /nfs/dbraw/zinc/20/08/09/398200809.db2.gz MXPSZYPVKSSYTF-WPRPVWTQSA-N 1 2 210.281 0.852 20 0 BCADLO Cc1cc(N2CCC[C@H]2C(=O)N(C)C)nc[nH+]1 ZINC000301229416 178116442 /nfs/dbraw/zinc/11/64/42/178116442.db2.gz GVVJCRGUHZAOMP-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)nc[nH+]1 ZINC000357746341 178117090 /nfs/dbraw/zinc/11/70/90/178117090.db2.gz LFESJUXCOFFWQJ-LLVKDONJSA-N 1 2 246.314 0.986 20 0 BCADLO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000228161406 178117459 /nfs/dbraw/zinc/11/74/59/178117459.db2.gz VVDCQJSCCFCMPJ-VHSXEESVSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2C[C@H](O)C[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000364299310 178121885 /nfs/dbraw/zinc/12/18/85/178121885.db2.gz IXKVZVCNOGVPFU-GHMZBOCLSA-N 1 2 249.314 0.594 20 0 BCADLO Cc1cc(N2C[C@H](O)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000277311551 178121977 /nfs/dbraw/zinc/12/19/77/178121977.db2.gz CMOKZPNOPHJCNH-UWVGGRQHSA-N 1 2 235.287 0.204 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H](C)O)cc[nH+]1 ZINC000179834985 178138829 /nfs/dbraw/zinc/13/88/29/178138829.db2.gz LPHKXPWEGJISPA-MRVPVSSYSA-N 1 2 209.249 0.892 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593225 187327127 /nfs/dbraw/zinc/32/71/27/187327127.db2.gz PSGXMHCQQHZKHZ-CMPLNLGQSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593225 187327128 /nfs/dbraw/zinc/32/71/28/187327128.db2.gz PSGXMHCQQHZKHZ-CMPLNLGQSA-N 1 2 246.326 0.553 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)on1 ZINC000351815703 178130077 /nfs/dbraw/zinc/13/00/77/178130077.db2.gz WVUFYDHKILUSRC-APPZFPTMSA-N 1 2 239.275 0.234 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)on1 ZINC000351815703 178130078 /nfs/dbraw/zinc/13/00/78/178130078.db2.gz WVUFYDHKILUSRC-APPZFPTMSA-N 1 2 239.275 0.234 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)on1 ZINC000106883498 178130092 /nfs/dbraw/zinc/13/00/92/178130092.db2.gz KSYOVCTZICIFHM-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCOC2)on1 ZINC000106883498 178130094 /nfs/dbraw/zinc/13/00/94/178130094.db2.gz KSYOVCTZICIFHM-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](CCO)C2CC2)no1 ZINC000048065259 178131311 /nfs/dbraw/zinc/13/13/11/178131311.db2.gz KLCFXUDHJGCOQJ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](CCO)C2CC2)no1 ZINC000048065259 178131312 /nfs/dbraw/zinc/13/13/12/178131312.db2.gz KLCFXUDHJGCOQJ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CO1 ZINC000648635182 398207095 /nfs/dbraw/zinc/20/70/95/398207095.db2.gz FWPYFMFQDGOHMO-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cc(NC(=O)NCCC(N)=O)cc[nH+]1 ZINC000179810159 178138281 /nfs/dbraw/zinc/13/82/81/178138281.db2.gz XDYQGZIISFNVOT-UHFFFAOYSA-N 1 2 222.248 0.387 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000107216502 178144577 /nfs/dbraw/zinc/14/45/77/178144577.db2.gz BSVUWSDBNQKPGN-SECBINFHSA-N 1 2 233.271 0.855 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCCC(=O)N2)cc[nH+]1 ZINC000270398958 178148344 /nfs/dbraw/zinc/14/83/44/178148344.db2.gz DSHMBENEJISXAO-SNVBAGLBSA-N 1 2 233.271 0.997 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)ccn1 ZINC000081386624 178148517 /nfs/dbraw/zinc/14/85/17/178148517.db2.gz HAZPYXLHWLCUQN-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)ccn1 ZINC000081386624 178148520 /nfs/dbraw/zinc/14/85/20/178148520.db2.gz HAZPYXLHWLCUQN-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)sn1 ZINC000085551970 178148572 /nfs/dbraw/zinc/14/85/72/178148572.db2.gz LYRGMMYDZGBRPP-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)sn1 ZINC000085551970 178148575 /nfs/dbraw/zinc/14/85/75/178148575.db2.gz LYRGMMYDZGBRPP-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2nccc(C)n2)CC1 ZINC000339642618 187329082 /nfs/dbraw/zinc/32/90/82/187329082.db2.gz DSNLWVLHPHJGRU-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2nccc(C)n2)CC1 ZINC000339642618 187329083 /nfs/dbraw/zinc/32/90/83/187329083.db2.gz DSNLWVLHPHJGRU-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cc(NCCS(C)(=O)=O)nc[nH+]1 ZINC000040727289 178161028 /nfs/dbraw/zinc/16/10/28/178161028.db2.gz AUMAQKPKRALBDJ-UHFFFAOYSA-N 1 2 215.278 0.242 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCCCS(C)(=O)=O ZINC000163364655 538928102 /nfs/dbraw/zinc/92/81/02/538928102.db2.gz NXAGXVWUVVOOJX-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCCCS(C)(=O)=O ZINC000163364655 538928103 /nfs/dbraw/zinc/92/81/03/538928103.db2.gz NXAGXVWUVVOOJX-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO Cc1cc(NCCNC(=O)C(C)C)nc[nH+]1 ZINC000301233719 178162359 /nfs/dbraw/zinc/16/23/59/178162359.db2.gz IZWIJIYIOSDUEH-UHFFFAOYSA-N 1 2 222.292 0.969 20 0 BCADLO CCc1cc(NCCn2cnnc2)nc[nH+]1 ZINC000381111626 398221311 /nfs/dbraw/zinc/22/13/11/398221311.db2.gz CGMVVMRCFSLJND-UHFFFAOYSA-N 1 2 218.264 0.165 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000576402589 365586971 /nfs/dbraw/zinc/58/69/71/365586971.db2.gz IZZKEVMGUOIFDZ-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO Cc1cc(N[C@H](C(N)=O)C(C)C)nc[nH+]1 ZINC000229782111 178184270 /nfs/dbraw/zinc/18/42/70/178184270.db2.gz YKBHHTLBJWVNNC-VIFPVBQESA-N 1 2 208.265 0.707 20 0 BCADLO Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2=O)nc[nH+]1 ZINC000301643915 178187040 /nfs/dbraw/zinc/18/70/40/178187040.db2.gz OMXBCTXOPDZDQP-VIFPVBQESA-N 1 2 248.286 0.733 20 0 BCADLO Cc1cc(N[C@H](CO)[C@H]2CCCO2)nc[nH+]1 ZINC000309858308 178187919 /nfs/dbraw/zinc/18/79/19/178187919.db2.gz LLJAUJUHCAEABZ-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276443309 538932663 /nfs/dbraw/zinc/93/26/63/538932663.db2.gz MKQWTNDAOKCYEW-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276443309 538932664 /nfs/dbraw/zinc/93/26/64/538932664.db2.gz MKQWTNDAOKCYEW-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCSC[C@@H]2C2CC2)[nH]1 ZINC000650058699 398228749 /nfs/dbraw/zinc/22/87/49/398228749.db2.gz HKGYYBKEHULOQD-MRVPVSSYSA-N 1 2 240.332 0.838 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCSC[C@@H]2C2CC2)[nH]1 ZINC000650058699 398228751 /nfs/dbraw/zinc/22/87/51/398228751.db2.gz HKGYYBKEHULOQD-MRVPVSSYSA-N 1 2 240.332 0.838 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCOC[C@H]1C1CC1 ZINC000276504649 538932794 /nfs/dbraw/zinc/93/27/94/538932794.db2.gz WZJOYODHYVEWQZ-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000276504649 538932796 /nfs/dbraw/zinc/93/27/96/538932796.db2.gz WZJOYODHYVEWQZ-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000334317798 136225308 /nfs/dbraw/zinc/22/53/08/136225308.db2.gz RAOACNFLVJCSJE-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000334317798 136225309 /nfs/dbraw/zinc/22/53/09/136225309.db2.gz RAOACNFLVJCSJE-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602440679 349526580 /nfs/dbraw/zinc/52/65/80/349526580.db2.gz AILQMZXJUJUOOS-UHFFFAOYSA-N 1 2 210.233 0.392 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602440679 349526581 /nfs/dbraw/zinc/52/65/81/349526581.db2.gz AILQMZXJUJUOOS-UHFFFAOYSA-N 1 2 210.233 0.392 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@]1(OC)CCOC1 ZINC000602439509 349526634 /nfs/dbraw/zinc/52/66/34/349526634.db2.gz DCMOBWCIAMZCJU-LLVKDONJSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@]1(OC)CCOC1 ZINC000602439509 349526636 /nfs/dbraw/zinc/52/66/36/349526636.db2.gz DCMOBWCIAMZCJU-LLVKDONJSA-N 1 2 231.292 0.287 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC(=O)N1C ZINC000334459514 136225866 /nfs/dbraw/zinc/22/58/66/136225866.db2.gz SMWMONFNDQECHJ-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000561441599 323001705 /nfs/dbraw/zinc/00/17/05/323001705.db2.gz ZKSWZAPQWNEGBR-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO CCc1cc(N)nc(S[C@H](CC)C(N)=O)[nH+]1 ZINC000279071469 538935112 /nfs/dbraw/zinc/93/51/12/538935112.db2.gz KCJSATIIFOKIMX-SSDOTTSWSA-N 1 2 240.332 0.977 20 0 BCADLO CCOCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281295751 538938480 /nfs/dbraw/zinc/93/84/80/538938480.db2.gz SVOFHWFHRAMNOJ-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CCOCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281295751 538938482 /nfs/dbraw/zinc/93/84/82/538938482.db2.gz SVOFHWFHRAMNOJ-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C)C1 ZINC000191714520 398244441 /nfs/dbraw/zinc/24/44/41/398244441.db2.gz JUJVWYDBGNSNCS-SNVBAGLBSA-N 1 2 241.335 0.052 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C)C1 ZINC000191714520 398244445 /nfs/dbraw/zinc/24/44/45/398244445.db2.gz JUJVWYDBGNSNCS-SNVBAGLBSA-N 1 2 241.335 0.052 20 0 BCADLO C[C@@H](NCC(F)(F)CO)c1[nH]cc[nH+]1 ZINC000285971101 538942369 /nfs/dbraw/zinc/94/23/69/538942369.db2.gz GCRRBJAUEBOAKG-ZCFIWIBFSA-N 1 2 205.208 0.688 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2cc[nH]n2)C1 ZINC000576530598 365620096 /nfs/dbraw/zinc/62/00/96/365620096.db2.gz YMNSBXOUFZMIOH-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO CC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000356343175 398247503 /nfs/dbraw/zinc/24/75/03/398247503.db2.gz MJWBIMCWSMHQCO-VHSXEESVSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000356343173 398247515 /nfs/dbraw/zinc/24/75/15/398247515.db2.gz MJWBIMCWSMHQCO-NXEZZACHSA-N 1 2 215.293 0.953 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2CC[C@H]2O)c1Cl ZINC000306773342 259310206 /nfs/dbraw/zinc/31/02/06/259310206.db2.gz AGZIEKZTWIDZBX-RFZPGFLSSA-N 1 2 214.656 0.647 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2CC[C@H]2O)c1Cl ZINC000306773342 259310208 /nfs/dbraw/zinc/31/02/08/259310208.db2.gz AGZIEKZTWIDZBX-RFZPGFLSSA-N 1 2 214.656 0.647 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[NH+](CCO)CC1 ZINC000280582208 178310702 /nfs/dbraw/zinc/31/07/02/178310702.db2.gz MVZQNVJBXHIKQO-UHFFFAOYSA-N 1 2 237.303 0.073 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000287318046 538944534 /nfs/dbraw/zinc/94/45/34/538944534.db2.gz FHMVAVJDTZRHBT-RKDXNWHRSA-N 1 2 224.308 0.927 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287318025 538944592 /nfs/dbraw/zinc/94/45/92/538944592.db2.gz FHMVAVJDTZRHBT-DTWKUNHWSA-N 1 2 224.308 0.927 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[C@H]1O ZINC000286490420 538944622 /nfs/dbraw/zinc/94/46/22/538944622.db2.gz VGAOILYOQBVDHR-GHMZBOCLSA-N 1 2 237.303 0.714 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000286490420 538944624 /nfs/dbraw/zinc/94/46/24/538944624.db2.gz VGAOILYOQBVDHR-GHMZBOCLSA-N 1 2 237.303 0.714 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287318033 538944673 /nfs/dbraw/zinc/94/46/73/538944673.db2.gz FHMVAVJDTZRHBT-IUCAKERBSA-N 1 2 224.308 0.927 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCSCC1 ZINC000290166462 538946321 /nfs/dbraw/zinc/94/63/21/538946321.db2.gz JYGBAPPIFBREPP-UHFFFAOYSA-N 1 2 240.332 0.679 20 0 BCADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)NC(N)=O ZINC000066864572 361826451 /nfs/dbraw/zinc/82/64/51/361826451.db2.gz IRPOFYNYFRBTBK-QMMMGPOBSA-N 1 2 236.275 0.060 20 0 BCADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)NC(N)=O ZINC000066864572 361826455 /nfs/dbraw/zinc/82/64/55/361826455.db2.gz IRPOFYNYFRBTBK-QMMMGPOBSA-N 1 2 236.275 0.060 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnns1 ZINC000291100685 538947665 /nfs/dbraw/zinc/94/76/65/538947665.db2.gz BLRCYSLXGGQCIC-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO COCCCC(=O)NCc1c[nH+]cn1C ZINC000290949472 538946658 /nfs/dbraw/zinc/94/66/58/538946658.db2.gz BAGIGTMPBIYHLG-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290648301 538946780 /nfs/dbraw/zinc/94/67/80/538946780.db2.gz INGSYXAZCSXNBS-IUCAKERBSA-N 1 2 222.292 0.875 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1CCCO1 ZINC000291261266 538947175 /nfs/dbraw/zinc/94/71/75/538947175.db2.gz PONZDMDTHIPACV-SNVBAGLBSA-N 1 2 223.276 0.605 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291151078 538947245 /nfs/dbraw/zinc/94/72/45/538947245.db2.gz GVUJOVRTBWOJHJ-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000291512211 538947968 /nfs/dbraw/zinc/94/79/68/538947968.db2.gz UDEIFSFDPDIBDS-GHMZBOCLSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCCO1 ZINC000291472423 538947984 /nfs/dbraw/zinc/94/79/84/538947984.db2.gz PHKQUTMEBSWYAK-SNVBAGLBSA-N 1 2 223.276 0.605 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1c[nH+]cn1C ZINC000291459258 538948154 /nfs/dbraw/zinc/94/81/54/538948154.db2.gz OAMBOKJMKDYHJG-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO O=S1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602462840 349557110 /nfs/dbraw/zinc/55/71/10/349557110.db2.gz CRPQBIPHXNTNIZ-SNVBAGLBSA-N 1 2 217.334 0.620 20 0 BCADLO CC[C@](C)(C[N@H+](CCOC)CC(=O)OC)OC ZINC000602470441 349542276 /nfs/dbraw/zinc/54/22/76/349542276.db2.gz YTHBZEZRJXZSEC-GFCCVEGCSA-N 1 2 247.335 0.923 20 0 BCADLO CC[C@](C)(C[N@@H+](CCOC)CC(=O)OC)OC ZINC000602470441 349542277 /nfs/dbraw/zinc/54/22/77/349542277.db2.gz YTHBZEZRJXZSEC-GFCCVEGCSA-N 1 2 247.335 0.923 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000602443099 349544272 /nfs/dbraw/zinc/54/42/72/349544272.db2.gz QSNXSALFWUYOPJ-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000602443099 349544275 /nfs/dbraw/zinc/54/42/75/349544275.db2.gz QSNXSALFWUYOPJ-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC000175051440 538949584 /nfs/dbraw/zinc/94/95/84/538949584.db2.gz OQNUTAFRTUALGP-QMMMGPOBSA-N 1 2 222.292 0.603 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC000175051415 538949640 /nfs/dbraw/zinc/94/96/40/538949640.db2.gz OQNUTAFRTUALGP-MRVPVSSYSA-N 1 2 222.292 0.603 20 0 BCADLO CC(C)(CNc1cccc[nH+]1)NS(C)(=O)=O ZINC000067005973 398267609 /nfs/dbraw/zinc/26/76/09/398267609.db2.gz QFZLOCNXQFSYBT-UHFFFAOYSA-N 1 2 243.332 0.821 20 0 BCADLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000035187951 178393141 /nfs/dbraw/zinc/39/31/41/178393141.db2.gz ZFNOENSUNZMKPA-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO Cc1sccc1C[NH2+]Cc1nnn(C)n1 ZINC000378860009 346848117 /nfs/dbraw/zinc/84/81/17/346848117.db2.gz OAXQUZGMUXQVGD-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCOC)C(=O)OC ZINC000053258556 346850284 /nfs/dbraw/zinc/85/02/84/346850284.db2.gz FDIYAMUYADBOAP-BDAKNGLRSA-N 1 2 203.282 0.810 20 0 BCADLO Cn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000580839053 346856356 /nfs/dbraw/zinc/85/63/56/346856356.db2.gz YOKQHBJAZWDAJS-UHFFFAOYSA-N 1 2 233.275 0.808 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H](C)C[S@](C)=O)[nH+]1 ZINC000600146464 342690079 /nfs/dbraw/zinc/69/00/79/342690079.db2.gz WTLBXSNCIDRXEY-PSLIRLAXSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]c(CN2CC[S@](=O)C[C@H](C)C2)[nH+]1 ZINC000600151618 342691611 /nfs/dbraw/zinc/69/16/11/342691611.db2.gz PKDDZMPBCWJSGA-ABKXIKBNSA-N 1 2 241.360 0.919 20 0 BCADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(N)=O ZINC000472332390 529384477 /nfs/dbraw/zinc/38/44/77/529384477.db2.gz WKMQQAGJOCFRLE-MNOVXSKESA-N 1 2 241.335 0.193 20 0 BCADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(N)=O ZINC000472332390 529384481 /nfs/dbraw/zinc/38/44/81/529384481.db2.gz WKMQQAGJOCFRLE-MNOVXSKESA-N 1 2 241.335 0.193 20 0 BCADLO Cc1cc(CNC(=O)C[C@H]2CC(=O)N2)cc(C)[nH+]1 ZINC000616362853 342721366 /nfs/dbraw/zinc/72/13/66/342721366.db2.gz ASNCOQRYGJFAFJ-NSHDSACASA-N 1 2 247.298 0.593 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCCCO1 ZINC000530469782 342759549 /nfs/dbraw/zinc/75/95/49/342759549.db2.gz AHRHOUMGWROJPX-UHFFFAOYSA-N 1 2 223.276 0.907 20 0 BCADLO C[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000225189287 398282250 /nfs/dbraw/zinc/28/22/50/398282250.db2.gz AHHNDFARAHVMFK-LLVKDONJSA-N 1 2 223.276 0.257 20 0 BCADLO Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000624541167 344002904 /nfs/dbraw/zinc/00/29/04/344002904.db2.gz RQBMTKPWTPIVQF-ZKCHVHJHSA-N 1 2 206.249 0.461 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2ccon2)CCN1C1CCC1 ZINC000634575573 342779433 /nfs/dbraw/zinc/77/94/33/342779433.db2.gz SZFNWELGEWCUGC-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000309663381 342779435 /nfs/dbraw/zinc/77/94/35/342779435.db2.gz GSOBONNGBUMFPW-BDAKNGLRSA-N 1 2 241.364 0.830 20 0 BCADLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000309663384 342779439 /nfs/dbraw/zinc/77/94/39/342779439.db2.gz GSOBONNGBUMFPW-RKDXNWHRSA-N 1 2 241.364 0.830 20 0 BCADLO Cc1nnc2n1CC[N@@H+](Cc1ccncc1)C2 ZINC000607753766 342789890 /nfs/dbraw/zinc/78/98/90/342789890.db2.gz WVAYESJAGVWFTL-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nnc2n1CC[N@H+](Cc1ccncc1)C2 ZINC000607753766 342789891 /nfs/dbraw/zinc/78/98/91/342789891.db2.gz WVAYESJAGVWFTL-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C)CC1 ZINC000348808233 136239010 /nfs/dbraw/zinc/23/90/10/136239010.db2.gz ICVNKGLIIBRISB-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C)CC1 ZINC000348808233 136239011 /nfs/dbraw/zinc/23/90/11/136239011.db2.gz ICVNKGLIIBRISB-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CCc1nn(C)cc1C[N@H+](CC)CC(N)=O ZINC000188071776 538977798 /nfs/dbraw/zinc/97/77/98/538977798.db2.gz NYHKCRJQVPIZRB-UHFFFAOYSA-N 1 2 224.308 0.290 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](CC)CC(N)=O ZINC000188071776 538977800 /nfs/dbraw/zinc/97/78/00/538977800.db2.gz NYHKCRJQVPIZRB-UHFFFAOYSA-N 1 2 224.308 0.290 20 0 BCADLO CCOC1C[NH+](C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000630049023 361917150 /nfs/dbraw/zinc/91/71/50/361917150.db2.gz RBGJKGQQXNGJRB-DGCLKSJQSA-N 1 2 243.347 0.619 20 0 BCADLO Cc1nc(NC2CC(CO)(CO)C2)cc[nH+]1 ZINC000624695865 342820916 /nfs/dbraw/zinc/82/09/16/342820916.db2.gz FKYCZQCAAYTZRJ-UHFFFAOYSA-N 1 2 223.276 0.330 20 0 BCADLO C/C=C\CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624732227 342823644 /nfs/dbraw/zinc/82/36/44/342823644.db2.gz PVLZWTUORPBMQU-UMBAGQNISA-N 1 2 227.308 0.192 20 0 BCADLO C/C=C\CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732227 342823646 /nfs/dbraw/zinc/82/36/46/342823646.db2.gz PVLZWTUORPBMQU-UMBAGQNISA-N 1 2 227.308 0.192 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624739354 342824590 /nfs/dbraw/zinc/82/45/90/342824590.db2.gz PERTUCBFCPIARY-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624739354 342824591 /nfs/dbraw/zinc/82/45/91/342824591.db2.gz PERTUCBFCPIARY-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cncnc2)[C@H](C(N)=O)C1 ZINC000190146441 538987279 /nfs/dbraw/zinc/98/72/79/538987279.db2.gz HTJFFGRFSSILLU-KOLCDFICSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cncnc2)[C@H](C(N)=O)C1 ZINC000190146441 538987282 /nfs/dbraw/zinc/98/72/82/538987282.db2.gz HTJFFGRFSSILLU-KOLCDFICSA-N 1 2 234.303 0.562 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000624541729 344004268 /nfs/dbraw/zinc/00/42/68/344004268.db2.gz ZTLSENKIEUIYAA-KYZUINATSA-N 1 2 242.282 0.728 20 0 BCADLO C[C@@H]1OCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000191552469 538992378 /nfs/dbraw/zinc/99/23/78/538992378.db2.gz XUKDDRFPMIRGBZ-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](CO)O1 ZINC000191521718 538992500 /nfs/dbraw/zinc/99/25/00/538992500.db2.gz SCCZFILLBJTULP-MWLCHTKSSA-N 1 2 223.276 0.058 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](CO)O1 ZINC000191521718 538992502 /nfs/dbraw/zinc/99/25/02/538992502.db2.gz SCCZFILLBJTULP-MWLCHTKSSA-N 1 2 223.276 0.058 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]1O ZINC000634413850 361932371 /nfs/dbraw/zinc/93/23/71/361932371.db2.gz PMLKOMMNXURXKM-UWVGGRQHSA-N 1 2 223.276 0.372 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1O ZINC000634413850 361932375 /nfs/dbraw/zinc/93/23/75/361932375.db2.gz PMLKOMMNXURXKM-UWVGGRQHSA-N 1 2 223.276 0.372 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H]1O ZINC000634415361 361935302 /nfs/dbraw/zinc/93/53/02/361935302.db2.gz QHOHNRRZJJNMLY-SVDPJWKOSA-N 1 2 249.314 0.553 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1CCC[C@@H]1O)n1cc[nH+]c1 ZINC000634415743 361935805 /nfs/dbraw/zinc/93/58/05/361935805.db2.gz ICBLFIIQNQAABS-DCAQKATOSA-N 1 2 237.303 0.864 20 0 BCADLO CC(C)(CO)CNC(=O)Cn1cc[nH+]c1 ZINC000379951358 538982669 /nfs/dbraw/zinc/98/26/69/538982669.db2.gz FGHZALUYWHSCRC-UHFFFAOYSA-N 1 2 211.265 0.018 20 0 BCADLO Cc1cc(NC[C@@H]2CCCC(=O)N2)nc[nH+]1 ZINC000381312071 538998085 /nfs/dbraw/zinc/99/80/85/538998085.db2.gz AKPCYTYOANMGQR-VIFPVBQESA-N 1 2 220.276 0.288 20 0 BCADLO CCc1cc(NC[C@]2(O)CCSC2)nc[nH+]1 ZINC000381321631 538998406 /nfs/dbraw/zinc/99/84/06/538998406.db2.gz OYFQSZQRWYYHJW-LLVKDONJSA-N 1 2 239.344 0.741 20 0 BCADLO CCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000011638335 342842198 /nfs/dbraw/zinc/84/21/98/342842198.db2.gz YMXVAQQKWVGBPK-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO CCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000011638335 342842200 /nfs/dbraw/zinc/84/22/00/342842200.db2.gz YMXVAQQKWVGBPK-VIFPVBQESA-N 1 2 239.275 0.410 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000042338266 361980650 /nfs/dbraw/zinc/98/06/50/361980650.db2.gz JQLIDAVVPRSJIA-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2C)nc[nH+]1 ZINC000390406469 539021563 /nfs/dbraw/zinc/02/15/63/539021563.db2.gz BQNVRUOZHBCPNI-RKDXNWHRSA-N 1 2 220.276 0.864 20 0 BCADLO C[C@@H](CNc1cnccn1)Cn1cc[nH+]c1 ZINC000390510351 539022591 /nfs/dbraw/zinc/02/25/91/539022591.db2.gz ZGZUVPXDGSJZSO-JTQLQIEISA-N 1 2 217.276 0.843 20 0 BCADLO CCc1nc(NCc2n[nH]c(=O)[nH]2)cc(C)[nH+]1 ZINC000392509538 539028043 /nfs/dbraw/zinc/02/80/43/539028043.db2.gz JZNPDLQLAMPEQT-UHFFFAOYSA-N 1 2 234.263 0.205 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387796767 539014043 /nfs/dbraw/zinc/01/40/43/539014043.db2.gz NBCFGRIIDDWXAE-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387796767 539014045 /nfs/dbraw/zinc/01/40/45/539014045.db2.gz NBCFGRIIDDWXAE-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000389740419 539017594 /nfs/dbraw/zinc/01/75/94/539017594.db2.gz YMMLQPPJKWSZOS-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000389740419 539017596 /nfs/dbraw/zinc/01/75/96/539017596.db2.gz YMMLQPPJKWSZOS-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000335645129 136243417 /nfs/dbraw/zinc/24/34/17/136243417.db2.gz ACLWPAHEAFKLFL-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000335645129 136243418 /nfs/dbraw/zinc/24/34/18/136243418.db2.gz ACLWPAHEAFKLFL-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C(C[NH+]1CCOCC1)OC1CCOCC1 ZINC000625048145 342845558 /nfs/dbraw/zinc/84/55/58/342845558.db2.gz QVARYOGTDPNMLP-UHFFFAOYSA-N 1 2 215.293 0.514 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1nncn1C ZINC000348859127 136242347 /nfs/dbraw/zinc/24/23/47/136242347.db2.gz JBXYVMLFGHGWQW-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccn1C ZINC000093103359 398308568 /nfs/dbraw/zinc/30/85/68/398308568.db2.gz IZIILWVWSOJJGP-MNOVXSKESA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccn1C ZINC000093103359 398308569 /nfs/dbraw/zinc/30/85/69/398308569.db2.gz IZIILWVWSOJJGP-MNOVXSKESA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCO ZINC000059704065 342856461 /nfs/dbraw/zinc/85/64/61/342856461.db2.gz XYOYAICBWGXFPJ-LBPRGKRZSA-N 1 2 237.299 0.743 20 0 BCADLO Cc1cc(N2CC[C@@](C)(C(N)=O)C2)nc[nH+]1 ZINC000576801872 365688240 /nfs/dbraw/zinc/68/82/40/365688240.db2.gz IPXOKFUDVXAOEP-LLVKDONJSA-N 1 2 220.276 0.487 20 0 BCADLO CC[C@@H]([NH2+]CCc1nnc(C)s1)C(=O)OC ZINC000290525875 398314401 /nfs/dbraw/zinc/31/44/01/398314401.db2.gz GWGUJWDNHMKWSK-MRVPVSSYSA-N 1 2 243.332 0.930 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)[nH]1 ZINC000562376770 323018434 /nfs/dbraw/zinc/01/84/34/323018434.db2.gz DUFZMSNLPPPJHZ-WPRPVWTQSA-N 1 2 224.308 0.706 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cnns1 ZINC000625211603 342915193 /nfs/dbraw/zinc/91/51/93/342915193.db2.gz FZHBBTGYPPLUPY-SFYZADRCSA-N 1 2 238.316 0.391 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cnns1 ZINC000625211603 342915194 /nfs/dbraw/zinc/91/51/94/342915194.db2.gz FZHBBTGYPPLUPY-SFYZADRCSA-N 1 2 238.316 0.391 20 0 BCADLO CC[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000389399346 398324782 /nfs/dbraw/zinc/32/47/82/398324782.db2.gz GLKIIYIZIFOMPR-MRVPVSSYSA-N 1 2 207.281 0.829 20 0 BCADLO CC[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000389399346 398324785 /nfs/dbraw/zinc/32/47/85/398324785.db2.gz GLKIIYIZIFOMPR-MRVPVSSYSA-N 1 2 207.281 0.829 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602631427 349648202 /nfs/dbraw/zinc/64/82/02/349648202.db2.gz DMMKJWAXMULBAX-VHSXEESVSA-N 1 2 245.319 0.722 20 0 BCADLO COC[C@@H]([NH2+]CC1(COC)CCC1)C(=O)OC ZINC000602631318 349648213 /nfs/dbraw/zinc/64/82/13/349648213.db2.gz CIMDRGCYNLMDIX-SNVBAGLBSA-N 1 2 245.319 0.581 20 0 BCADLO COC[C@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000602636282 349650531 /nfs/dbraw/zinc/65/05/31/349650531.db2.gz UCWLOINABSIIPJ-JTQLQIEISA-N 1 2 247.360 0.907 20 0 BCADLO COC[C@H]([NH2+]CCC1CCOCC1)C(=O)OC ZINC000602635170 349650607 /nfs/dbraw/zinc/65/06/07/349650607.db2.gz PSYZFWGEEJDQDS-NSHDSACASA-N 1 2 245.319 0.581 20 0 BCADLO CCOC1CC(C[NH2+][C@@H](COC)C(=O)OC)C1 ZINC000602636986 349651415 /nfs/dbraw/zinc/65/14/15/349651415.db2.gz VXLKPLSBTCCUDN-ILDUYXDCSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000602646453 349657779 /nfs/dbraw/zinc/65/77/79/349657779.db2.gz YPXRJHUDHHRUAJ-XNWIYYODSA-N 1 2 223.276 0.738 20 0 BCADLO CO[C@H](C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566448963 398338014 /nfs/dbraw/zinc/33/80/14/398338014.db2.gz NWUNHPUDYKYGAW-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1cc(C(=O)OC)no1 ZINC000602677204 349670018 /nfs/dbraw/zinc/67/00/18/349670018.db2.gz WSVTWNDQWKURDJ-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1cc(C(=O)OC)no1 ZINC000602677204 349670019 /nfs/dbraw/zinc/67/00/19/349670019.db2.gz WSVTWNDQWKURDJ-MRVPVSSYSA-N 1 2 240.259 0.682 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1cc(C(=O)OC)no1 ZINC000602677205 349670094 /nfs/dbraw/zinc/67/00/94/349670094.db2.gz WSVTWNDQWKURDJ-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000248051567 398338746 /nfs/dbraw/zinc/33/87/46/398338746.db2.gz XHGSRTOPWRAUOV-VXNVDRBHSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)n1 ZINC000248051567 398338747 /nfs/dbraw/zinc/33/87/47/398338747.db2.gz XHGSRTOPWRAUOV-VXNVDRBHSA-N 1 2 211.265 0.896 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1cc(C(=O)OC)no1 ZINC000602677205 349670096 /nfs/dbraw/zinc/67/00/96/349670096.db2.gz WSVTWNDQWKURDJ-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO CSCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355126593 398331509 /nfs/dbraw/zinc/33/15/09/398331509.db2.gz FSTYSRLCIVXLKL-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355196755 398331725 /nfs/dbraw/zinc/33/17/25/398331725.db2.gz ZCFPXMYXQXFQDF-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355196755 398331726 /nfs/dbraw/zinc/33/17/26/398331726.db2.gz ZCFPXMYXQXFQDF-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)n1 ZINC000351687135 136249789 /nfs/dbraw/zinc/24/97/89/136249789.db2.gz MFFYAELVAGIOCW-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351687135 136249790 /nfs/dbraw/zinc/24/97/90/136249790.db2.gz MFFYAELVAGIOCW-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CC2 ZINC000580316414 346902753 /nfs/dbraw/zinc/90/27/53/346902753.db2.gz BWMMMIPLDHEQPF-SECBINFHSA-N 1 2 205.261 0.631 20 0 BCADLO CC(C)(C)c1nc(NC(C)(CO)CO)cc[nH+]1 ZINC000301562408 187206135 /nfs/dbraw/zinc/20/61/35/187206135.db2.gz VEOPVMWCLRKHNF-UHFFFAOYSA-N 1 2 239.319 0.929 20 0 BCADLO COC1CC([N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC000352200443 536718630 /nfs/dbraw/zinc/71/86/30/536718630.db2.gz ASBRTBTXWTUGBO-UHFFFAOYSA-N 1 2 240.307 0.745 20 0 BCADLO COC1CC([N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC000352200443 536718632 /nfs/dbraw/zinc/71/86/32/536718632.db2.gz ASBRTBTXWTUGBO-UHFFFAOYSA-N 1 2 240.307 0.745 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351815233 136255345 /nfs/dbraw/zinc/25/53/45/136255345.db2.gz VSIRILQWARKHOO-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351815233 136255346 /nfs/dbraw/zinc/25/53/46/136255346.db2.gz VSIRILQWARKHOO-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497070021 529552875 /nfs/dbraw/zinc/55/28/75/529552875.db2.gz FAHMBUKEOGZMDR-RKDXNWHRSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497070021 529552879 /nfs/dbraw/zinc/55/28/79/529552879.db2.gz FAHMBUKEOGZMDR-RKDXNWHRSA-N 1 2 216.256 0.871 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)CO ZINC000492280721 529556382 /nfs/dbraw/zinc/55/63/82/529556382.db2.gz YVQKJAWTLADIKZ-XNPJLODASA-N 1 2 223.276 0.413 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353169294 536734006 /nfs/dbraw/zinc/73/40/06/536734006.db2.gz IWIGSRXJSVBOKB-YUMQZZPRSA-N 1 2 209.236 0.723 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353169294 536734009 /nfs/dbraw/zinc/73/40/09/536734009.db2.gz IWIGSRXJSVBOKB-YUMQZZPRSA-N 1 2 209.236 0.723 20 0 BCADLO CC(C)[C@H](NC(=O)Cn1cc[nH+]c1)c1ncon1 ZINC000355244979 187211221 /nfs/dbraw/zinc/21/12/21/187211221.db2.gz YNZYMPKWWSVSPU-JTQLQIEISA-N 1 2 249.274 0.780 20 0 BCADLO COC[C@@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342778052 536721937 /nfs/dbraw/zinc/72/19/37/536721937.db2.gz AZOAYIIOBMHJQB-SECBINFHSA-N 1 2 241.291 0.006 20 0 BCADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OC ZINC000493331322 529572771 /nfs/dbraw/zinc/57/27/71/529572771.db2.gz ZIGBVIQAOHXWQW-WTSVBCDHSA-N 1 2 237.259 0.491 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCc1cnccn1 ZINC000602792392 349735853 /nfs/dbraw/zinc/73/58/53/349735853.db2.gz PURBLQJJFVFYCT-UHFFFAOYSA-N 1 2 237.303 0.903 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCc1cnccn1 ZINC000602792392 349735856 /nfs/dbraw/zinc/73/58/56/349735856.db2.gz PURBLQJJFVFYCT-UHFFFAOYSA-N 1 2 237.303 0.903 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000602800715 349740817 /nfs/dbraw/zinc/74/08/17/349740817.db2.gz RVZNTCCFKCSYLW-LLVKDONJSA-N 1 2 236.319 0.096 20 0 BCADLO CCN(C#N)CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000602800715 349740821 /nfs/dbraw/zinc/74/08/21/349740821.db2.gz RVZNTCCFKCSYLW-LLVKDONJSA-N 1 2 236.319 0.096 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000602804152 349743437 /nfs/dbraw/zinc/74/34/37/349743437.db2.gz JCBPHTCCCLMOHF-ZUZCIYMTSA-N 1 2 231.365 0.488 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000602804152 349743440 /nfs/dbraw/zinc/74/34/40/349743440.db2.gz JCBPHTCCCLMOHF-ZUZCIYMTSA-N 1 2 231.365 0.488 20 0 BCADLO COC(=O)C[N@H+](Cc1cc[nH]c(=O)c1)C1CC1 ZINC000602779003 349744572 /nfs/dbraw/zinc/74/45/72/349744572.db2.gz KPVCIYVEWXRJGS-UHFFFAOYSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)C[N@@H+](Cc1cc[nH]c(=O)c1)C1CC1 ZINC000602779003 349744576 /nfs/dbraw/zinc/74/45/76/349744576.db2.gz KPVCIYVEWXRJGS-UHFFFAOYSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000602771829 349725892 /nfs/dbraw/zinc/72/58/92/349725892.db2.gz GNYDNHJHBLSODJ-SFYZADRCSA-N 1 2 240.259 0.589 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000602771829 349725894 /nfs/dbraw/zinc/72/58/94/349725894.db2.gz GNYDNHJHBLSODJ-SFYZADRCSA-N 1 2 240.259 0.589 20 0 BCADLO COC(=O)CCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000359954316 187216830 /nfs/dbraw/zinc/21/68/30/187216830.db2.gz MJVMVKGBXBIJDU-UHFFFAOYSA-N 1 2 239.275 0.711 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000602823529 349763459 /nfs/dbraw/zinc/76/34/59/349763459.db2.gz UYQVSYYZZCAHKB-ZBEGNZNMSA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000602823529 349763462 /nfs/dbraw/zinc/76/34/62/349763462.db2.gz UYQVSYYZZCAHKB-ZBEGNZNMSA-N 1 2 243.376 0.632 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@H]1CO ZINC000361926274 187220344 /nfs/dbraw/zinc/22/03/44/187220344.db2.gz RNEDPUJCIDHDNK-VIFPVBQESA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@H]1CO ZINC000361926274 187220345 /nfs/dbraw/zinc/22/03/45/187220345.db2.gz RNEDPUJCIDHDNK-VIFPVBQESA-N 1 2 239.323 0.385 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCN(C#N)CC ZINC000602784628 349749826 /nfs/dbraw/zinc/74/98/26/349749826.db2.gz USUURMXPTJCFHH-NSHDSACASA-N 1 2 211.309 0.900 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCN(C#N)CC ZINC000602784628 349749827 /nfs/dbraw/zinc/74/98/27/349749827.db2.gz USUURMXPTJCFHH-NSHDSACASA-N 1 2 211.309 0.900 20 0 BCADLO CCn1cnnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492878944 529598362 /nfs/dbraw/zinc/59/83/62/529598362.db2.gz BFNRLPKWBGROOM-ARJAWSKDSA-N 1 2 232.247 0.673 20 0 BCADLO Cc1nnsc1C[N@H+](C)CCOCCO ZINC000308981735 259341176 /nfs/dbraw/zinc/34/11/76/259341176.db2.gz KPBVNQSBWLWTFX-UHFFFAOYSA-N 1 2 231.321 0.287 20 0 BCADLO Cc1nnsc1C[N@@H+](C)CCOCCO ZINC000308981735 259341177 /nfs/dbraw/zinc/34/11/77/259341177.db2.gz KPBVNQSBWLWTFX-UHFFFAOYSA-N 1 2 231.321 0.287 20 0 BCADLO CCn1cnnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492878945 529599050 /nfs/dbraw/zinc/59/90/50/529599050.db2.gz BFNRLPKWBGROOM-ONEGZZNKSA-N 1 2 232.247 0.673 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000602810798 349754480 /nfs/dbraw/zinc/75/44/80/349754480.db2.gz NWOKDFOGDAZLHV-NEPJUHHUSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000602810798 349754483 /nfs/dbraw/zinc/75/44/83/349754483.db2.gz NWOKDFOGDAZLHV-NEPJUHHUSA-N 1 2 241.335 0.261 20 0 BCADLO COC(=O)[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC000602815774 349757977 /nfs/dbraw/zinc/75/79/77/349757977.db2.gz RTQUXXKPMCMOKR-LLVKDONJSA-N 1 2 236.271 0.828 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000602818256 349758761 /nfs/dbraw/zinc/75/87/61/349758761.db2.gz MKMIPOVRWKSBRF-GFCCVEGCSA-N 1 2 223.320 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000602818256 349758764 /nfs/dbraw/zinc/75/87/64/349758764.db2.gz MKMIPOVRWKSBRF-GFCCVEGCSA-N 1 2 223.320 0.900 20 0 BCADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(C)=O ZINC000602817051 349758819 /nfs/dbraw/zinc/75/88/19/349758819.db2.gz RZRDVXKLCNNUTQ-AXFHLTTASA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(C)=O ZINC000602817051 349758827 /nfs/dbraw/zinc/75/88/27/349758827.db2.gz RZRDVXKLCNNUTQ-AXFHLTTASA-N 1 2 225.288 0.849 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(=O)[nH]1 ZINC000235495449 343040053 /nfs/dbraw/zinc/04/00/53/343040053.db2.gz JKYKTWGMPMUTAK-SECBINFHSA-N 1 2 246.270 0.390 20 0 BCADLO O=c1c2c([nH]n1[C@H]1CCSC1)CC[NH2+]C2 ZINC000634628130 343034390 /nfs/dbraw/zinc/03/43/90/343034390.db2.gz ROAKJPPZUVNSLZ-JGVFFNPUSA-N 1 2 225.317 0.300 20 0 BCADLO C[C@H](c1ccncc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627095 343037096 /nfs/dbraw/zinc/03/70/96/343037096.db2.gz VOGNWSNYBOOIBG-MWLCHTKSSA-N 1 2 244.298 0.950 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1nccs1 ZINC000683563179 488196633 /nfs/dbraw/zinc/19/66/33/488196633.db2.gz UQFOLYOWUGDRES-UHFFFAOYSA-N 1 2 211.290 0.579 20 0 BCADLO CCOC(=O)[C@@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374715065 187224587 /nfs/dbraw/zinc/22/45/87/187224587.db2.gz YXRQAWUKTMTLEF-SNVBAGLBSA-N 1 2 237.303 0.959 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177121147 346922596 /nfs/dbraw/zinc/92/25/96/346922596.db2.gz JAZGBEYRADCJLO-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1cc(NCCCn2cncn2)nc[nH+]1 ZINC000309852005 343066070 /nfs/dbraw/zinc/06/60/70/343066070.db2.gz JGEGVWNFNYUZPP-UHFFFAOYSA-N 1 2 218.264 0.879 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000046171227 343067392 /nfs/dbraw/zinc/06/73/92/343067392.db2.gz GJHXWLMXMDUNDL-NSHDSACASA-N 1 2 247.298 0.575 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000046171227 343067393 /nfs/dbraw/zinc/06/73/93/343067393.db2.gz GJHXWLMXMDUNDL-NSHDSACASA-N 1 2 247.298 0.575 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCc3ccccc32)n1 ZINC000236149185 343079923 /nfs/dbraw/zinc/07/99/23/343079923.db2.gz FGZNHPAUQNXCCU-LLVKDONJSA-N 1 2 229.287 0.987 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CSC)C(C)(C)C ZINC000309949079 343104443 /nfs/dbraw/zinc/10/44/43/343104443.db2.gz FIMTTWGPBMCDOW-BDAKNGLRSA-N 1 2 249.376 0.888 20 0 BCADLO c1cn(Cc2cn(CC3CCOCC3)nn2)c[nH+]1 ZINC000640953603 362096312 /nfs/dbraw/zinc/09/63/12/362096312.db2.gz PCBDLCWENIQJLV-UHFFFAOYSA-N 1 2 247.302 0.950 20 0 BCADLO Cn1ccc(-c2cn(Cc3[nH+]ccn3C)nn2)n1 ZINC000640954297 362097707 /nfs/dbraw/zinc/09/77/07/362097707.db2.gz SHZWBULNAXOAOW-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189291905 136270777 /nfs/dbraw/zinc/27/07/77/136270777.db2.gz SGOVVVSKFBPWLI-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189291905 136270778 /nfs/dbraw/zinc/27/07/78/136270778.db2.gz SGOVVVSKFBPWLI-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493246380 529690593 /nfs/dbraw/zinc/69/05/93/529690593.db2.gz BIOUNDCKGLNQSC-NWALNABHSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000278733148 187240047 /nfs/dbraw/zinc/24/00/47/187240047.db2.gz LFBLQDCRRDSSKA-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO COc1cncc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000625269282 343167188 /nfs/dbraw/zinc/16/71/88/343167188.db2.gz DDDICOGYIXTCOE-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO CN(Cc1cnns1)Cc1[nH+]ccn1C ZINC000625269285 343167346 /nfs/dbraw/zinc/16/73/46/343167346.db2.gz DHVSFBYTWWOSHB-UHFFFAOYSA-N 1 2 223.305 0.904 20 0 BCADLO C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)C(F)F ZINC000641003895 362118765 /nfs/dbraw/zinc/11/87/65/362118765.db2.gz LJNDCHLPNSHZKW-SSDOTTSWSA-N 1 2 246.261 0.915 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)O)C(C)C ZINC000133560683 343191339 /nfs/dbraw/zinc/19/13/39/343191339.db2.gz NBAYQTHFHNMDCI-RKDXNWHRSA-N 1 2 203.282 0.545 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](O)C1CC1 ZINC000134889090 343191743 /nfs/dbraw/zinc/19/17/43/343191743.db2.gz HXMZPTVODSWCKA-ZETCQYMHSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](O)C1CC1 ZINC000134889090 343191745 /nfs/dbraw/zinc/19/17/45/343191745.db2.gz HXMZPTVODSWCKA-ZETCQYMHSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@H](C)C1 ZINC000134808521 343195274 /nfs/dbraw/zinc/19/52/74/343195274.db2.gz LNAMXWLUZAMFCB-SSDOTTSWSA-N 1 2 224.264 0.293 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@H](C)C1 ZINC000134808521 343195275 /nfs/dbraw/zinc/19/52/75/343195275.db2.gz LNAMXWLUZAMFCB-SSDOTTSWSA-N 1 2 224.264 0.293 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(=O)NC(C)C ZINC000134828957 343195506 /nfs/dbraw/zinc/19/55/06/343195506.db2.gz MBIRIGGXRCLBNK-UHFFFAOYSA-N 1 2 239.279 0.004 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(=O)NC(C)C ZINC000134828957 343195507 /nfs/dbraw/zinc/19/55/07/343195507.db2.gz MBIRIGGXRCLBNK-UHFFFAOYSA-N 1 2 239.279 0.004 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cn1 ZINC000163756003 136277610 /nfs/dbraw/zinc/27/76/10/136277610.db2.gz ORFIARLWGXJICW-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cn1 ZINC000163756003 136277611 /nfs/dbraw/zinc/27/76/11/136277611.db2.gz ORFIARLWGXJICW-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000600317871 343283210 /nfs/dbraw/zinc/28/32/10/343283210.db2.gz DRVOJDUPQDYAPD-QMMMGPOBSA-N 1 2 239.275 0.362 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)Cc1ccoc1 ZINC000121522682 343266122 /nfs/dbraw/zinc/26/61/22/343266122.db2.gz FFWAQPCTJMKMLC-UHFFFAOYSA-N 1 2 233.271 0.915 20 0 BCADLO CC[N@H+](CCOCCOC)CC(=O)OC ZINC000070482965 343328553 /nfs/dbraw/zinc/32/85/53/343328553.db2.gz AKTZALONILLFTN-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CC[N@@H+](CCOCCOC)CC(=O)OC ZINC000070482965 343328554 /nfs/dbraw/zinc/32/85/54/343328554.db2.gz AKTZALONILLFTN-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000584061391 343309671 /nfs/dbraw/zinc/30/96/71/343309671.db2.gz KBYSBTKYOWOQAY-VIFPVBQESA-N 1 2 223.276 0.447 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC1 ZINC000584061391 343309674 /nfs/dbraw/zinc/30/96/74/343309674.db2.gz KBYSBTKYOWOQAY-VIFPVBQESA-N 1 2 223.276 0.447 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cnns1 ZINC000625386674 343369214 /nfs/dbraw/zinc/36/92/14/343369214.db2.gz FVXNMGMXBJXGAB-WCBMZHEXSA-N 1 2 243.332 0.510 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnns1 ZINC000625386674 343369216 /nfs/dbraw/zinc/36/92/16/343369216.db2.gz FVXNMGMXBJXGAB-WCBMZHEXSA-N 1 2 243.332 0.510 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000070651629 343337846 /nfs/dbraw/zinc/33/78/46/343337846.db2.gz RFPFBKOOVPBHKG-MRVPVSSYSA-N 1 2 209.249 0.453 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000070651630 343337867 /nfs/dbraw/zinc/33/78/67/343337867.db2.gz RFPFBKOOVPBHKG-QMMMGPOBSA-N 1 2 209.249 0.453 20 0 BCADLO CCCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819084 343340920 /nfs/dbraw/zinc/34/09/20/343340920.db2.gz JNCOYRJZNWTGNZ-UHFFFAOYSA-N 1 2 231.321 0.971 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000348869358 136302753 /nfs/dbraw/zinc/30/27/53/136302753.db2.gz MUUACWFNLDYCHA-NXEZZACHSA-N 1 2 247.298 0.665 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000335652058 136305132 /nfs/dbraw/zinc/30/51/32/136305132.db2.gz JIEMHEAEFMLWAH-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000335652058 136305133 /nfs/dbraw/zinc/30/51/33/136305133.db2.gz JIEMHEAEFMLWAH-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685471143 487535370 /nfs/dbraw/zinc/53/53/70/487535370.db2.gz OVAOSVWMVQTJLT-MWLCHTKSSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685471143 487535380 /nfs/dbraw/zinc/53/53/80/487535380.db2.gz OVAOSVWMVQTJLT-MWLCHTKSSA-N 1 2 225.292 0.381 20 0 BCADLO CCN1CC(=O)N[C@H]1c1cccc2[nH+]ccn21 ZINC000335641542 136308626 /nfs/dbraw/zinc/30/86/26/136308626.db2.gz HKIMPUGPUVBEMH-GFCCVEGCSA-N 1 2 230.271 0.785 20 0 BCADLO O=C(C[C@@H]1C=CCC1)NCC[NH+]1CCOCC1 ZINC000078471009 343388906 /nfs/dbraw/zinc/38/89/06/343388906.db2.gz WJAUIWSGGXGJKS-GFCCVEGCSA-N 1 2 238.331 0.791 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621378737 343391035 /nfs/dbraw/zinc/39/10/35/343391035.db2.gz CKLFEYBPFDJRHO-JTQLQIEISA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621378737 343391039 /nfs/dbraw/zinc/39/10/39/343391039.db2.gz CKLFEYBPFDJRHO-JTQLQIEISA-N 1 2 238.335 0.798 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000335688701 136324129 /nfs/dbraw/zinc/32/41/29/136324129.db2.gz GFVRPWYLXQGPML-VIFPVBQESA-N 1 2 238.291 0.486 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000335688701 136324130 /nfs/dbraw/zinc/32/41/30/136324130.db2.gz GFVRPWYLXQGPML-VIFPVBQESA-N 1 2 238.291 0.486 20 0 BCADLO Cn1nnc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)n1 ZINC000621381501 343397005 /nfs/dbraw/zinc/39/70/05/343397005.db2.gz VLJHPHOZHYXEHN-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)n1 ZINC000621381501 343397006 /nfs/dbraw/zinc/39/70/06/343397006.db2.gz VLJHPHOZHYXEHN-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCOCC1 ZINC000335689757 136324737 /nfs/dbraw/zinc/32/47/37/136324737.db2.gz HMCNPGMQRDYGDK-VIFPVBQESA-N 1 2 235.287 0.688 20 0 BCADLO C[C@@H](O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335699925 136328394 /nfs/dbraw/zinc/32/83/94/136328394.db2.gz LYUIEKNKHUNHJH-SECBINFHSA-N 1 2 237.303 0.559 20 0 BCADLO Cn1cc[nH+]c1[C@H](NC(=O)NCCO)C1CC1 ZINC000349163028 136328491 /nfs/dbraw/zinc/32/84/91/136328491.db2.gz YSDJXNDZQWIKEI-SECBINFHSA-N 1 2 238.291 0.163 20 0 BCADLO CCN1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000041363752 343419516 /nfs/dbraw/zinc/41/95/16/343419516.db2.gz NXLQCSYBLPODOH-SNVBAGLBSA-N 1 2 213.325 0.101 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCc2[nH]cc[nH+]2)C1(F)F ZINC000335680423 136328679 /nfs/dbraw/zinc/32/86/79/136328679.db2.gz YKFILAVSXUNMCR-IYSWYEEDSA-N 1 2 215.203 0.927 20 0 BCADLO CN(CC(F)F)C(=O)CCn1cc[nH+]c1 ZINC000349355767 136343230 /nfs/dbraw/zinc/34/32/30/136343230.db2.gz ARGXKOSKFRBMPI-UHFFFAOYSA-N 1 2 217.219 0.997 20 0 BCADLO COCC[C@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641086166 362202201 /nfs/dbraw/zinc/20/22/01/362202201.db2.gz KAZQRMKIGYLYCR-GXSJLCMTSA-N 1 2 240.307 0.537 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccn(C)c2)CC(=O)N1C ZINC000335721985 136346221 /nfs/dbraw/zinc/34/62/21/136346221.db2.gz AKOXSBPLRXIUDI-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC(=O)N1C ZINC000335721985 136346222 /nfs/dbraw/zinc/34/62/22/136346222.db2.gz AKOXSBPLRXIUDI-JTQLQIEISA-N 1 2 221.304 0.688 20 0 BCADLO Cc1cccc(CC[N@@H+](C)Cc2nnnn2C)n1 ZINC000576985720 365742343 /nfs/dbraw/zinc/74/23/43/365742343.db2.gz ZNKOEOQZTWGADK-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO Cc1cccc(CC[N@H+](C)Cc2nnnn2C)n1 ZINC000576985720 365742349 /nfs/dbraw/zinc/74/23/49/365742349.db2.gz ZNKOEOQZTWGADK-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO Cc1cc(Cn2cc(CCCO)nn2)cc[nH+]1 ZINC000641090688 362216793 /nfs/dbraw/zinc/21/67/93/362216793.db2.gz ZKXBKBOXGHCBMM-UHFFFAOYSA-N 1 2 232.287 0.955 20 0 BCADLO CC(C)n1cc(C[N@H+](C)[C@@H](C)CO)nn1 ZINC000349296780 136338332 /nfs/dbraw/zinc/33/83/32/136338332.db2.gz MEXOWJOKOKIHMQ-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)[C@@H](C)CO)nn1 ZINC000349296780 136338333 /nfs/dbraw/zinc/33/83/33/136338333.db2.gz MEXOWJOKOKIHMQ-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CSC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000187800530 259361831 /nfs/dbraw/zinc/36/18/31/259361831.db2.gz IVCJBCQSARFJFF-SECBINFHSA-N 1 2 249.376 0.984 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000187800530 259361833 /nfs/dbraw/zinc/36/18/33/259361833.db2.gz IVCJBCQSARFJFF-SECBINFHSA-N 1 2 249.376 0.984 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](C)C1 ZINC000135015791 343447574 /nfs/dbraw/zinc/44/75/74/343447574.db2.gz LRWIRSGOTFAWAF-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](C)C1 ZINC000135015791 343447576 /nfs/dbraw/zinc/44/75/76/343447576.db2.gz LRWIRSGOTFAWAF-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCc1nocc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000350213673 136356840 /nfs/dbraw/zinc/35/68/40/136356840.db2.gz AMXDXRDAOYOFSP-JTQLQIEISA-N 1 2 223.276 0.687 20 0 BCADLO CCc1nocc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000350213673 136356841 /nfs/dbraw/zinc/35/68/41/136356841.db2.gz AMXDXRDAOYOFSP-JTQLQIEISA-N 1 2 223.276 0.687 20 0 BCADLO Cc1nccc(C[N@@H+](C)CC(=O)N(C)C)n1 ZINC000350277984 136357306 /nfs/dbraw/zinc/35/73/06/136357306.db2.gz ISCLMXWVURHTKB-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1nccc(C[N@H+](C)CC(=O)N(C)C)n1 ZINC000350277984 136357307 /nfs/dbraw/zinc/35/73/07/136357307.db2.gz ISCLMXWVURHTKB-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000350278019 136357642 /nfs/dbraw/zinc/35/76/42/136357642.db2.gz JQRYHGDDDBZPKW-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000350278019 136357643 /nfs/dbraw/zinc/35/76/43/136357643.db2.gz JQRYHGDDDBZPKW-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1ccc(NC(=O)N[C@H]2CNC(=O)C2)c(C)[nH+]1 ZINC000335891676 136358973 /nfs/dbraw/zinc/35/89/73/136358973.db2.gz AQBGPSJKCCFAFY-SECBINFHSA-N 1 2 248.286 0.708 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000353993561 136363996 /nfs/dbraw/zinc/36/39/96/136363996.db2.gz CKMSTFGCJHRXKH-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)[C@H](C)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300377608 136367860 /nfs/dbraw/zinc/36/78/60/136367860.db2.gz AMPALBXFSXFJKX-MIMYLULJSA-N 1 2 227.304 0.953 20 0 BCADLO COC[C@@H]([NH2+]CCn1cncn1)C(C)C ZINC000167012355 136368051 /nfs/dbraw/zinc/36/80/51/136368051.db2.gz RKQXLLARHGSWNG-SNVBAGLBSA-N 1 2 212.297 0.539 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000351785183 136370490 /nfs/dbraw/zinc/37/04/90/136370490.db2.gz VDXFQMWKWRSSPO-OIBJUYFYSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000351785183 136370491 /nfs/dbraw/zinc/37/04/91/136370491.db2.gz VDXFQMWKWRSSPO-OIBJUYFYSA-N 1 2 239.275 0.058 20 0 BCADLO C[C@H](F)CC[N@H+](C)Cc1nnnn1C ZINC000351872997 136371332 /nfs/dbraw/zinc/37/13/32/136371332.db2.gz GFDBRPLHDHVIGU-ZETCQYMHSA-N 1 2 201.249 0.390 20 0 BCADLO C[C@H](F)CC[N@@H+](C)Cc1nnnn1C ZINC000351872997 136371333 /nfs/dbraw/zinc/37/13/33/136371333.db2.gz GFDBRPLHDHVIGU-ZETCQYMHSA-N 1 2 201.249 0.390 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCO1 ZINC000189573206 136372433 /nfs/dbraw/zinc/37/24/33/136372433.db2.gz TZPJSPNYTHPUDY-SNVBAGLBSA-N 1 2 235.287 1.000 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247983138 136373401 /nfs/dbraw/zinc/37/34/01/136373401.db2.gz IOIWTKLWOJKCJW-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247983138 136373402 /nfs/dbraw/zinc/37/34/02/136373402.db2.gz IOIWTKLWOJKCJW-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO O[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258972514 136373943 /nfs/dbraw/zinc/37/39/43/136373943.db2.gz NWTHNCSPGGJEGA-JTQLQIEISA-N 1 2 234.303 0.648 20 0 BCADLO O[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258972514 136373944 /nfs/dbraw/zinc/37/39/44/136373944.db2.gz NWTHNCSPGGJEGA-JTQLQIEISA-N 1 2 234.303 0.648 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nnnn1C1CC1 ZINC000310430949 343490497 /nfs/dbraw/zinc/49/04/97/343490497.db2.gz RTAHYWABPBRFOQ-SECBINFHSA-N 1 2 237.307 0.353 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nnnn1C1CC1 ZINC000310430949 343490499 /nfs/dbraw/zinc/49/04/99/343490499.db2.gz RTAHYWABPBRFOQ-SECBINFHSA-N 1 2 237.307 0.353 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCSC[C@H]1CCO ZINC000536350261 343506806 /nfs/dbraw/zinc/50/68/06/343506806.db2.gz SPSBKPZVJNSAJT-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO Cn1cnnc1C[N@H+]1CCSC[C@H]1CCO ZINC000536350261 343506808 /nfs/dbraw/zinc/50/68/08/343506808.db2.gz SPSBKPZVJNSAJT-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO CC[N@H+](CCO)Cc1ncnn1C(C)C ZINC000083995476 343512967 /nfs/dbraw/zinc/51/29/67/343512967.db2.gz JFASQJNNCMXZQQ-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC[N@@H+](CCO)Cc1ncnn1C(C)C ZINC000083995476 343512972 /nfs/dbraw/zinc/51/29/72/343512972.db2.gz JFASQJNNCMXZQQ-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CO[C@H]1C[N@H+](CCC(=O)OC(C)C)CCO1 ZINC000602899562 349815601 /nfs/dbraw/zinc/81/56/01/349815601.db2.gz QTHFXBYAJMMTMC-LLVKDONJSA-N 1 2 231.292 0.633 20 0 BCADLO CO[C@H]1C[N@@H+](CCC(=O)OC(C)C)CCO1 ZINC000602899562 349815603 /nfs/dbraw/zinc/81/56/03/349815603.db2.gz QTHFXBYAJMMTMC-LLVKDONJSA-N 1 2 231.292 0.633 20 0 BCADLO CCn1nc(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000040770628 187263955 /nfs/dbraw/zinc/26/39/55/187263955.db2.gz STDNOTNSMUCCCR-UHFFFAOYSA-N 1 2 236.319 0.599 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000622720645 343572147 /nfs/dbraw/zinc/57/21/47/343572147.db2.gz HNNWRJTZYPWNGO-WVSHTKLVSA-N 1 2 237.303 0.382 20 0 BCADLO CCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245319 343553236 /nfs/dbraw/zinc/55/32/36/343553236.db2.gz SYZUVNULRZRTCN-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@H+](Cc2csnn2)C1 ZINC000398677419 488222561 /nfs/dbraw/zinc/22/25/61/488222561.db2.gz VXRQEZIQNVERIP-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2csnn2)C1 ZINC000398677419 488222567 /nfs/dbraw/zinc/22/25/67/488222567.db2.gz VXRQEZIQNVERIP-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1cnc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000047465597 343562320 /nfs/dbraw/zinc/56/23/20/343562320.db2.gz FYMFUDKYVMWMFF-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281910069 343565851 /nfs/dbraw/zinc/56/58/51/343565851.db2.gz UTKPDPKWGOGYJK-MRVPVSSYSA-N 1 2 239.275 0.362 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281910069 343565852 /nfs/dbraw/zinc/56/58/52/343565852.db2.gz UTKPDPKWGOGYJK-MRVPVSSYSA-N 1 2 239.275 0.362 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401485013 529737366 /nfs/dbraw/zinc/73/73/66/529737366.db2.gz CCNCGTUBCJBWOS-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401485013 529737367 /nfs/dbraw/zinc/73/73/67/529737367.db2.gz CCNCGTUBCJBWOS-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048539636 343583068 /nfs/dbraw/zinc/58/30/68/343583068.db2.gz RHXSCJDNPBTXSC-VIFPVBQESA-N 1 2 248.286 0.514 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000620060619 343617046 /nfs/dbraw/zinc/61/70/46/343617046.db2.gz IHGGCMJKAFILRF-NXEZZACHSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252408 343599158 /nfs/dbraw/zinc/59/91/58/343599158.db2.gz FTMTUNDYWOQHJE-ZYHUDNBSSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252408 343599161 /nfs/dbraw/zinc/59/91/61/343599161.db2.gz FTMTUNDYWOQHJE-ZYHUDNBSSA-N 1 2 249.314 0.719 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(=O)[nH]c1 ZINC000622745413 343606334 /nfs/dbraw/zinc/60/63/34/343606334.db2.gz KQPYNZLHHLRXTB-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(=O)[nH]c1 ZINC000622745413 343606336 /nfs/dbraw/zinc/60/63/36/343606336.db2.gz KQPYNZLHHLRXTB-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1csnn1 ZINC000379997923 365787875 /nfs/dbraw/zinc/78/78/75/365787875.db2.gz KPUMNBZUTZGDOC-UHFFFAOYSA-N 1 2 228.321 0.495 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC1(CO)COC1)C(C)(C)C ZINC000119060638 343622906 /nfs/dbraw/zinc/62/29/06/343622906.db2.gz TVLMXCAGOZMEDL-SECBINFHSA-N 1 2 245.319 0.173 20 0 BCADLO CC(C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284291638 187343890 /nfs/dbraw/zinc/34/38/90/187343890.db2.gz GEMIFXYODLMIJN-ONEGZZNKSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194632091 537802386 /nfs/dbraw/zinc/80/23/86/537802386.db2.gz WFVYBYULDMULME-AEJSXWLSSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194632091 537802399 /nfs/dbraw/zinc/80/23/99/537802399.db2.gz WFVYBYULDMULME-AEJSXWLSSA-N 1 2 212.293 0.089 20 0 BCADLO CC(C)=CC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000284578370 187345364 /nfs/dbraw/zinc/34/53/64/187345364.db2.gz JRISAYGRAIDKDH-ZJUUUORDSA-N 1 2 212.293 0.527 20 0 BCADLO CC(C)=CC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000284578370 187345365 /nfs/dbraw/zinc/34/53/65/187345365.db2.gz JRISAYGRAIDKDH-ZJUUUORDSA-N 1 2 212.293 0.527 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000625435829 343733237 /nfs/dbraw/zinc/73/32/37/343733237.db2.gz XITFTVYYSBXBBK-NSHDSACASA-N 1 2 223.276 0.108 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000625435829 343733239 /nfs/dbraw/zinc/73/32/39/343733239.db2.gz XITFTVYYSBXBBK-NSHDSACASA-N 1 2 223.276 0.108 20 0 BCADLO C[C@H](c1nnnn1C)N1CCc2[nH+]c[nH]c2C1 ZINC000625436066 343733689 /nfs/dbraw/zinc/73/36/89/343733689.db2.gz DYAMAZZSWWZJLP-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO Nc1ncccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625434685 343735605 /nfs/dbraw/zinc/73/56/05/343735605.db2.gz DWVQPEVFRNWLFZ-UHFFFAOYSA-N 1 2 229.287 0.945 20 0 BCADLO COc1ccc(CN2CCc3[nH+]c[nH]c3C2)nn1 ZINC000625434744 343735966 /nfs/dbraw/zinc/73/59/66/343735966.db2.gz GWQVHRYQUFQLOO-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO CC(C)[C@H](O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000291519860 187347958 /nfs/dbraw/zinc/34/79/58/187347958.db2.gz YZYVDGMLMHUVRA-LBPRGKRZSA-N 1 2 247.298 0.967 20 0 BCADLO CCCNC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625437467 343740096 /nfs/dbraw/zinc/74/00/96/343740096.db2.gz GFSDZQVNZMNARY-SECBINFHSA-N 1 2 236.319 0.683 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)NCC1CCC1 ZINC000625438567 343740673 /nfs/dbraw/zinc/74/06/73/343740673.db2.gz XIPCPPBUIDEDDS-UHFFFAOYSA-N 1 2 248.330 0.684 20 0 BCADLO COC(=O)[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000380226732 343710477 /nfs/dbraw/zinc/71/04/77/343710477.db2.gz OQCYCURIXMEELA-VIFPVBQESA-N 1 2 239.275 0.151 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000312990236 343710520 /nfs/dbraw/zinc/71/05/20/343710520.db2.gz CHZMVWBREBGFDV-DTWKUNHWSA-N 1 2 215.293 0.953 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000312990235 343710644 /nfs/dbraw/zinc/71/06/44/343710644.db2.gz CHZMVWBREBGFDV-BDAKNGLRSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1noc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000631396933 343716277 /nfs/dbraw/zinc/71/62/77/343716277.db2.gz DIVKRXRHTDZFRE-QMMMGPOBSA-N 1 2 247.258 0.319 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCc3cncnc3C2)OC1=O ZINC000496460570 529817896 /nfs/dbraw/zinc/81/78/96/529817896.db2.gz SBNXYZBQPXXRCJ-JTQLQIEISA-N 1 2 248.286 0.285 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCc3cncnc3C2)OC1=O ZINC000496460570 529817897 /nfs/dbraw/zinc/81/78/97/529817897.db2.gz SBNXYZBQPXXRCJ-JTQLQIEISA-N 1 2 248.286 0.285 20 0 BCADLO CCN(c1[nH+]cnc2c1cnn2C)[C@@H](C)CO ZINC000292798415 187348948 /nfs/dbraw/zinc/34/89/48/187348948.db2.gz NBTUQYPROPIOPQ-QMMMGPOBSA-N 1 2 235.291 0.570 20 0 BCADLO NC(=O)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000029594123 343765208 /nfs/dbraw/zinc/76/52/08/343765208.db2.gz QOKNTUUMMPDICO-UHFFFAOYSA-N 1 2 244.254 0.621 20 0 BCADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000584146743 343765289 /nfs/dbraw/zinc/76/52/89/343765289.db2.gz YZSQSLGKDOJJBN-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000154941595 323059370 /nfs/dbraw/zinc/05/93/70/323059370.db2.gz HFPRUXRDVHNEEM-CMPLNLGQSA-N 1 2 245.319 0.315 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CC1CC1 ZINC000683890491 488237685 /nfs/dbraw/zinc/23/76/85/488237685.db2.gz YGCJBDKRRXIHAL-SNVBAGLBSA-N 1 2 237.303 0.240 20 0 BCADLO CN(CCCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760129 529884293 /nfs/dbraw/zinc/88/42/93/529884293.db2.gz DEPGAVZDFMHAKQ-SNAWJCMRSA-N 1 2 223.276 0.654 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370436 346986533 /nfs/dbraw/zinc/98/65/33/346986533.db2.gz ZEZJUKSOAAXFHU-LBPRGKRZSA-N 1 2 237.303 0.701 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370436 346986535 /nfs/dbraw/zinc/98/65/35/346986535.db2.gz ZEZJUKSOAAXFHU-LBPRGKRZSA-N 1 2 237.303 0.701 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000187942460 259371370 /nfs/dbraw/zinc/37/13/70/259371370.db2.gz CSXCOBGGFOWMBE-UWVGGRQHSA-N 1 2 249.376 0.982 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000187942460 259371372 /nfs/dbraw/zinc/37/13/72/259371372.db2.gz CSXCOBGGFOWMBE-UWVGGRQHSA-N 1 2 249.376 0.982 20 0 BCADLO CC(=O)N1CC[NH+](CCNc2cnccn2)CC1 ZINC000298733600 187352348 /nfs/dbraw/zinc/35/23/48/187352348.db2.gz PWOVTCSCVOPKLT-UHFFFAOYSA-N 1 2 249.318 0.053 20 0 BCADLO Cc1nc(C)c(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000683897005 488238693 /nfs/dbraw/zinc/23/86/93/488238693.db2.gz HXXCQIRFXAPVJQ-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO Cc1nc(C)c(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000683897005 488238696 /nfs/dbraw/zinc/23/86/96/488238696.db2.gz HXXCQIRFXAPVJQ-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C)nc1 ZINC000507075414 529921516 /nfs/dbraw/zinc/92/15/16/529921516.db2.gz ALVOQUWOJINSGU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C)nc1 ZINC000507075414 529921517 /nfs/dbraw/zinc/92/15/17/529921517.db2.gz ALVOQUWOJINSGU-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@](O)(CO)C2)o1 ZINC000625464187 343870987 /nfs/dbraw/zinc/87/09/87/343870987.db2.gz DRHJQJMHHHCALF-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@](O)(CO)C2)o1 ZINC000625464187 343870989 /nfs/dbraw/zinc/87/09/89/343870989.db2.gz DRHJQJMHHHCALF-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO CCOC(=O)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000603204309 349886585 /nfs/dbraw/zinc/88/65/85/349886585.db2.gz NDLUAZRESVFBSG-UHFFFAOYSA-N 1 2 249.274 0.166 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC2CCC2)nn1 ZINC000603204895 349887387 /nfs/dbraw/zinc/88/73/87/349887387.db2.gz XOQPQGUVRZAGCU-JTQLQIEISA-N 1 2 238.291 0.121 20 0 BCADLO CN(CC1CC1)C(=O)COCc1[nH]cc[nH+]1 ZINC000180026091 347009325 /nfs/dbraw/zinc/00/93/25/347009325.db2.gz NFLJRURCSUPDAK-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2ncc(C)cn2)CC1 ZINC000340677419 187355202 /nfs/dbraw/zinc/35/52/02/187355202.db2.gz XTCIKAAVDPKMLT-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC000340677419 187355203 /nfs/dbraw/zinc/35/52/03/187355203.db2.gz XTCIKAAVDPKMLT-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cc(NC(=O)c2cn(C3CC3)nn2)cc[nH+]1 ZINC000625513926 343915125 /nfs/dbraw/zinc/91/51/25/343915125.db2.gz MRLGBKRPBZGTMJ-UHFFFAOYSA-N 1 2 243.270 0.991 20 0 BCADLO CSCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603216663 349895296 /nfs/dbraw/zinc/89/52/96/349895296.db2.gz WQFIVLUOKCAYMA-SECBINFHSA-N 1 2 228.321 0.302 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)CC1(O)CCC1 ZINC000625528786 343919001 /nfs/dbraw/zinc/91/90/01/343919001.db2.gz LFRVCRUISXYDLD-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)CC1(O)CCC1 ZINC000625528786 343919003 /nfs/dbraw/zinc/91/90/03/343919003.db2.gz LFRVCRUISXYDLD-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO CCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641187706 362258351 /nfs/dbraw/zinc/25/83/51/362258351.db2.gz RDMVDYDSSJKALO-UHFFFAOYSA-N 1 2 210.281 0.173 20 0 BCADLO CCOC(=O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000603217700 349896185 /nfs/dbraw/zinc/89/61/85/349896185.db2.gz MLQNAWWLBOUETI-UHFFFAOYSA-N 1 2 235.247 0.237 20 0 BCADLO O[C@H]1CCCC[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641209132 362270533 /nfs/dbraw/zinc/27/05/33/362270533.db2.gz RYPJBWOBXLBVNZ-RYUDHWBXSA-N 1 2 247.302 0.999 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cncs1 ZINC000092041472 343952374 /nfs/dbraw/zinc/95/23/74/343952374.db2.gz FIYUACBENCBIGG-BDAKNGLRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cncs1 ZINC000092041472 343952376 /nfs/dbraw/zinc/95/23/76/343952376.db2.gz FIYUACBENCBIGG-BDAKNGLRSA-N 1 2 228.317 0.725 20 0 BCADLO CCCSCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600419436 343960165 /nfs/dbraw/zinc/96/01/65/343960165.db2.gz HNZTZBGNFUBFFB-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CCCSCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600419436 343960168 /nfs/dbraw/zinc/96/01/68/343960168.db2.gz HNZTZBGNFUBFFB-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO FC(F)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641232233 362286999 /nfs/dbraw/zinc/28/69/99/362286999.db2.gz CORZCBHRSCXSMU-ZETCQYMHSA-N 1 2 218.207 0.204 20 0 BCADLO CC(=O)N1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628118835 343969449 /nfs/dbraw/zinc/96/94/49/343969449.db2.gz MODKSCAADQUAEJ-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCC(F)(F)CC2)nc1=O ZINC000625770175 344065265 /nfs/dbraw/zinc/06/52/65/344065265.db2.gz HIVDHPDQZRCXEC-UHFFFAOYSA-N 1 2 246.261 0.730 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCC(F)(F)CC2)nc1=O ZINC000625770175 344065267 /nfs/dbraw/zinc/06/52/67/344065267.db2.gz HIVDHPDQZRCXEC-UHFFFAOYSA-N 1 2 246.261 0.730 20 0 BCADLO O=C(CNc1cc(CO)cc[nH+]1)NC1CC1 ZINC000641266565 362338523 /nfs/dbraw/zinc/33/85/23/362338523.db2.gz FCSHSDKDNUWZPQ-UHFFFAOYSA-N 1 2 221.260 0.264 20 0 BCADLO CN(CC(=O)NC1CC1)c1cc(CO)cc[nH+]1 ZINC000641265821 362338599 /nfs/dbraw/zinc/33/85/99/362338599.db2.gz JMFGVJWZSZYUPF-UHFFFAOYSA-N 1 2 235.287 0.289 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)nn1 ZINC000634734743 344116094 /nfs/dbraw/zinc/11/60/94/344116094.db2.gz NKVYTVHBKCEPSF-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)nn1 ZINC000634734743 344116096 /nfs/dbraw/zinc/11/60/96/344116096.db2.gz NKVYTVHBKCEPSF-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO C[C@@H]1C[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641299100 362351125 /nfs/dbraw/zinc/35/11/25/362351125.db2.gz GHZNTSAYAGMCEB-NXEZZACHSA-N 1 2 243.332 0.459 20 0 BCADLO C[C@H]1C[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641299102 362351415 /nfs/dbraw/zinc/35/14/15/362351415.db2.gz GHZNTSAYAGMCEB-UWVGGRQHSA-N 1 2 243.332 0.459 20 0 BCADLO Cn1cc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641304023 362357399 /nfs/dbraw/zinc/35/73/99/362357399.db2.gz MZPDYAONYMIFNV-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CCOC(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000603243219 349904288 /nfs/dbraw/zinc/90/42/88/349904288.db2.gz ZWWKXCGLSXJQMT-UHFFFAOYSA-N 1 2 235.247 0.352 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)o1 ZINC000221421873 259373367 /nfs/dbraw/zinc/37/33/67/259373367.db2.gz HFBDZSYQBHNPRT-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)o1 ZINC000221421873 259373368 /nfs/dbraw/zinc/37/33/68/259373368.db2.gz HFBDZSYQBHNPRT-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1ccc(CC(=O)NCCn2cc[nH+]c2)cn1 ZINC000080349541 344128082 /nfs/dbraw/zinc/12/80/82/344128082.db2.gz OKGDDQLSBSANNA-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO CNC(=O)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080945408 344135457 /nfs/dbraw/zinc/13/54/57/344135457.db2.gz POKQYLIPBPKUOO-UHFFFAOYSA-N 1 2 233.275 0.449 20 0 BCADLO Cc1c[nH]c(CN(CC(N)=O)C2CCCC2)[nH+]1 ZINC000628131136 344160826 /nfs/dbraw/zinc/16/08/26/344160826.db2.gz RULSTNPBVDYACO-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]c(C[N@H+](CC(N)=O)C2CCCC2)n1 ZINC000628131136 344160829 /nfs/dbraw/zinc/16/08/29/344160829.db2.gz RULSTNPBVDYACO-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]c(C[N@@H+](CC(N)=O)C2CCCC2)n1 ZINC000628131136 344160830 /nfs/dbraw/zinc/16/08/30/344160830.db2.gz RULSTNPBVDYACO-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO C[C@H](CN1CCCC1=O)Nc1cc(CO)cc[nH+]1 ZINC000641307081 362355946 /nfs/dbraw/zinc/35/59/46/362355946.db2.gz ZEULQFNPKWTTKR-SNVBAGLBSA-N 1 2 249.314 0.997 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000234546286 344187397 /nfs/dbraw/zinc/18/73/97/344187397.db2.gz ZCMVIFIOVOCAKU-XKSSXDPKSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1[nH+]cnc2c1cnn2C ZINC000384936801 344270366 /nfs/dbraw/zinc/27/03/66/344270366.db2.gz JWYKTGKMHZUOPV-JGVFFNPUSA-N 1 2 233.275 0.323 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCSCCCO ZINC000309375145 347043626 /nfs/dbraw/zinc/04/36/26/347043626.db2.gz QCDXLRNVOJHHJU-UHFFFAOYSA-N 1 2 243.332 0.115 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000092012134 344287724 /nfs/dbraw/zinc/28/77/24/344287724.db2.gz KHLKCHKNOZYWEJ-UHFFFAOYSA-N 1 2 210.281 0.353 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000092012134 344287726 /nfs/dbraw/zinc/28/77/26/344287726.db2.gz KHLKCHKNOZYWEJ-UHFFFAOYSA-N 1 2 210.281 0.353 20 0 BCADLO CC1CC(NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641368213 362378996 /nfs/dbraw/zinc/37/89/96/362378996.db2.gz SRZDWMKNJBOPAC-UHFFFAOYSA-N 1 2 243.332 0.601 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634780131 344315301 /nfs/dbraw/zinc/31/53/01/344315301.db2.gz UEBZBTWFACAVHV-PHIMTYICSA-N 1 2 235.287 0.378 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000300010018 344365223 /nfs/dbraw/zinc/36/52/23/344365223.db2.gz BVUNMXQPSCYHBU-KXUCPTDWSA-N 1 2 227.304 0.687 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)[nH]n1 ZINC000620596803 344330388 /nfs/dbraw/zinc/33/03/88/344330388.db2.gz RRKFICWLXAMRKC-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCNC(=O)C1 ZINC000600618557 344340203 /nfs/dbraw/zinc/34/02/03/344340203.db2.gz ZJBDUNOOWYAWHE-SECBINFHSA-N 1 2 205.261 0.574 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCNC(=O)C1 ZINC000600618557 344340205 /nfs/dbraw/zinc/34/02/05/344340205.db2.gz ZJBDUNOOWYAWHE-SECBINFHSA-N 1 2 205.261 0.574 20 0 BCADLO CCCNC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000600623236 344342026 /nfs/dbraw/zinc/34/20/26/344342026.db2.gz MHXAVAZEWZUEPY-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CN(CC(=O)NCc1ccco1)Cc1[nH]cc[nH+]1 ZINC000600623249 344342264 /nfs/dbraw/zinc/34/22/64/344342264.db2.gz MUXSPECUJCHMRB-UHFFFAOYSA-N 1 2 248.286 0.751 20 0 BCADLO C[C@@H](NC(=O)COC(F)F)c1[nH+]ccn1C ZINC000620609519 344360965 /nfs/dbraw/zinc/36/09/65/344360965.db2.gz SBLHPGKIWQEVMO-ZCFIWIBFSA-N 1 2 233.218 0.837 20 0 BCADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)CO ZINC000570807146 323071242 /nfs/dbraw/zinc/07/12/42/323071242.db2.gz SOTNTFDTCBTHGY-OUAUKWLOSA-N 1 2 239.319 0.967 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(CCO)C1CCC1 ZINC000380669802 344430863 /nfs/dbraw/zinc/43/08/63/344430863.db2.gz ARLVUXGLQDLEIV-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO CN1C[C@@H](Nc2cc[nH+]cc2F)CCC1=O ZINC000641385891 362386721 /nfs/dbraw/zinc/38/67/21/362386721.db2.gz WNGPOVQMZMRVMQ-QMMMGPOBSA-N 1 2 223.251 0.675 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000220473927 344402033 /nfs/dbraw/zinc/40/20/33/344402033.db2.gz PXRWBQDDITVLRD-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000220473927 344402034 /nfs/dbraw/zinc/40/20/34/344402034.db2.gz PXRWBQDDITVLRD-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000041047532 344415225 /nfs/dbraw/zinc/41/52/25/344415225.db2.gz RSWIEOCHNHWESY-UWVGGRQHSA-N 1 2 213.277 0.707 20 0 BCADLO CCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245323 344447007 /nfs/dbraw/zinc/44/70/07/344447007.db2.gz SYZUVNULRZRTCN-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1cccnn1 ZINC000151954183 344471160 /nfs/dbraw/zinc/47/11/60/344471160.db2.gz SSDNMQBUVNXHAP-UHFFFAOYSA-N 1 2 232.247 0.495 20 0 BCADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](O)C1 ZINC000152314900 344518732 /nfs/dbraw/zinc/51/87/32/344518732.db2.gz SGRRPWPJPNNRJG-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](O)C1 ZINC000152314900 344518734 /nfs/dbraw/zinc/51/87/34/344518734.db2.gz SGRRPWPJPNNRJG-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO CN(C[C@H](O)C1CC1)c1cc(CO)cc[nH+]1 ZINC000641422013 362406835 /nfs/dbraw/zinc/40/68/35/362406835.db2.gz UBZMSHVEVFOPFQ-NSHDSACASA-N 1 2 222.288 0.781 20 0 BCADLO COC(=O)[C@@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000603316040 349912288 /nfs/dbraw/zinc/91/22/88/349912288.db2.gz CGKNHLRQJJZYHN-VIFPVBQESA-N 1 2 238.287 0.819 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCOCC1 ZINC000370903611 344553490 /nfs/dbraw/zinc/55/34/90/344553490.db2.gz WASIPENHSUPKJG-SNVBAGLBSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCOCC1 ZINC000370903611 344553495 /nfs/dbraw/zinc/55/34/95/344553495.db2.gz WASIPENHSUPKJG-SNVBAGLBSA-N 1 2 249.314 0.810 20 0 BCADLO C[NH2+][C@@H](CC(C)(C)C)C(=O)N=c1nc[nH]n1C ZINC000395766636 344560930 /nfs/dbraw/zinc/56/09/30/344560930.db2.gz YVSJSGINFHANMC-QMMMGPOBSA-N 1 2 239.323 0.200 20 0 BCADLO C[NH2+][C@H](CC(C)(C)C)C(=O)N=c1nc[nH]n1C ZINC000395766627 344560937 /nfs/dbraw/zinc/56/09/37/344560937.db2.gz YVSJSGINFHANMC-MRVPVSSYSA-N 1 2 239.323 0.200 20 0 BCADLO C[C@]1(CO)CCC[N@H+]1Cc1ncnn1CCF ZINC000570893485 323073521 /nfs/dbraw/zinc/07/35/21/323073521.db2.gz SSKPWOGMFIAPCL-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO O=C1C[C@H](Nc2cc[nH+]cc2F)CN1C1CC1 ZINC000641444740 362423563 /nfs/dbraw/zinc/42/35/63/362423563.db2.gz TYJBXDZUYLRUCZ-QMMMGPOBSA-N 1 2 235.262 0.818 20 0 BCADLO O=C1CC[C@@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000641469686 362437755 /nfs/dbraw/zinc/43/77/55/362437755.db2.gz JVMDYKQXOLYXAH-LLVKDONJSA-N 1 2 247.298 0.385 20 0 BCADLO O=C1CC[C@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000641469687 362438013 /nfs/dbraw/zinc/43/80/13/362438013.db2.gz JVMDYKQXOLYXAH-NSHDSACASA-N 1 2 247.298 0.385 20 0 BCADLO OC[C@@H]1C[C@H](O)CN1c1cc[nH+]cc1F ZINC000641466613 362439602 /nfs/dbraw/zinc/43/96/02/362439602.db2.gz YQJDGDMBFKQAME-YUMQZZPRSA-N 1 2 212.224 0.153 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000641471381 362440113 /nfs/dbraw/zinc/44/01/13/362440113.db2.gz XQZUTZRZMRCSHT-PSASIEDQSA-N 1 2 237.278 0.969 20 0 BCADLO NC(=O)N[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641467272 362440259 /nfs/dbraw/zinc/44/02/59/362440259.db2.gz BYOLBOORYMEOMH-SSDOTTSWSA-N 1 2 224.239 0.468 20 0 BCADLO CN(C)C(=O)NCCNc1cc[nH+]cc1F ZINC000641475223 362444413 /nfs/dbraw/zinc/44/44/13/362444413.db2.gz FMEQDUZEEIFGSM-UHFFFAOYSA-N 1 2 226.255 0.326 20 0 BCADLO COC(=O)C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000048446393 344587330 /nfs/dbraw/zinc/58/73/30/344587330.db2.gz OAWWYFJNRBKMHD-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO COC(=O)C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000048446393 344587332 /nfs/dbraw/zinc/58/73/32/344587332.db2.gz OAWWYFJNRBKMHD-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO CCC[N@H+](CCO)Cc1noc(CC)n1 ZINC000048743369 344588736 /nfs/dbraw/zinc/58/87/36/344588736.db2.gz HIEVIWSTQZZMGX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCC[N@@H+](CCO)Cc1noc(CC)n1 ZINC000048743369 344588739 /nfs/dbraw/zinc/58/87/39/344588739.db2.gz HIEVIWSTQZZMGX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO C[C@]1(CO)CCC[N@@H+]1Cc1ncnn1CCF ZINC000570893485 323073520 /nfs/dbraw/zinc/07/35/20/323073520.db2.gz SSKPWOGMFIAPCL-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641548817 362491250 /nfs/dbraw/zinc/49/12/50/362491250.db2.gz PVDXHNXLDQXYEF-SECBINFHSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@@]2(CCOC2)C1 ZINC000185168724 259378056 /nfs/dbraw/zinc/37/80/56/259378056.db2.gz MFHRHHJVMMMIAL-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO COC[C@H](CNc1cc[nH+]cc1F)OC ZINC000641485844 362456005 /nfs/dbraw/zinc/45/60/05/362456005.db2.gz RKMYTRROXJOZMT-QMMMGPOBSA-N 1 2 214.240 0.716 20 0 BCADLO Fc1c[nH+]ccc1NCc1nnnn1CC1CC1 ZINC000641499152 362462692 /nfs/dbraw/zinc/46/26/92/362462692.db2.gz VMZFSXISPZHXNG-UHFFFAOYSA-N 1 2 248.265 0.651 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCc1ccncc1 ZINC000181450118 347059733 /nfs/dbraw/zinc/05/97/33/347059733.db2.gz OXMMSTIRDRNCSF-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCc1ccncc1 ZINC000181450118 347059735 /nfs/dbraw/zinc/05/97/35/347059735.db2.gz OXMMSTIRDRNCSF-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625999364 344661219 /nfs/dbraw/zinc/66/12/19/344661219.db2.gz QLTZHVBZJYDVIH-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000625999364 344661222 /nfs/dbraw/zinc/66/12/22/344661222.db2.gz QLTZHVBZJYDVIH-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000174 344661768 /nfs/dbraw/zinc/66/17/68/344661768.db2.gz KPJNDSMBTJDXJY-ONGXEEELSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000174 344661769 /nfs/dbraw/zinc/66/17/69/344661769.db2.gz KPJNDSMBTJDXJY-ONGXEEELSA-N 1 2 244.310 0.714 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626002406 344662842 /nfs/dbraw/zinc/66/28/42/344662842.db2.gz MIVJHXZAOQVAJB-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626002406 344662844 /nfs/dbraw/zinc/66/28/44/344662844.db2.gz MIVJHXZAOQVAJB-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002555 344663104 /nfs/dbraw/zinc/66/31/04/344663104.db2.gz PXOOCFKTSVNWAJ-BDAKNGLRSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](CCF)C1 ZINC000626002555 344663107 /nfs/dbraw/zinc/66/31/07/344663107.db2.gz PXOOCFKTSVNWAJ-BDAKNGLRSA-N 1 2 218.272 0.311 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002922 344663727 /nfs/dbraw/zinc/66/37/27/344663727.db2.gz WXFJUQGFXOIOAG-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626002922 344663730 /nfs/dbraw/zinc/66/37/30/344663730.db2.gz WXFJUQGFXOIOAG-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@@H](CCF)C1 ZINC000626004217 344666217 /nfs/dbraw/zinc/66/62/17/344666217.db2.gz BQFLXZCBDHIXNX-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626004217 344666219 /nfs/dbraw/zinc/66/62/19/344666219.db2.gz BQFLXZCBDHIXNX-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO Cn1nccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626004909 344666894 /nfs/dbraw/zinc/66/68/94/344666894.db2.gz QLGDCGXZLUTDTE-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO Cn1nccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626004909 344666895 /nfs/dbraw/zinc/66/68/95/344666895.db2.gz QLGDCGXZLUTDTE-NSHDSACASA-N 1 2 227.283 0.981 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005813 344668140 /nfs/dbraw/zinc/66/81/40/344668140.db2.gz KYEFMRWATQPDRT-SNVBAGLBSA-N 1 2 245.298 0.072 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCO[C@H](CCF)C1 ZINC000626005813 344668142 /nfs/dbraw/zinc/66/81/42/344668142.db2.gz KYEFMRWATQPDRT-SNVBAGLBSA-N 1 2 245.298 0.072 20 0 BCADLO CSC[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000309438272 347062698 /nfs/dbraw/zinc/06/26/98/347062698.db2.gz YWKPBMIGXOTQEQ-JTQLQIEISA-N 1 2 243.332 0.113 20 0 BCADLO COC(=O)c1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000603297650 349915064 /nfs/dbraw/zinc/91/50/64/349915064.db2.gz KKKPBKSIRFOSMP-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H]1CCC(=O)N1)C(=O)OC ZINC000309447192 347066191 /nfs/dbraw/zinc/06/61/91/347066191.db2.gz KCWTXCBITWNDIO-KWQFWETISA-N 1 2 228.292 0.196 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000050117034 344721803 /nfs/dbraw/zinc/72/18/03/344721803.db2.gz IBGFOCSLCSOIPT-SNVBAGLBSA-N 1 2 230.333 0.891 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000050117034 344721805 /nfs/dbraw/zinc/72/18/05/344721805.db2.gz IBGFOCSLCSOIPT-SNVBAGLBSA-N 1 2 230.333 0.891 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)nc1 ZINC000626077739 344722474 /nfs/dbraw/zinc/72/24/74/344722474.db2.gz PWSKGFBTQFVUBG-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)nc1 ZINC000626077739 344722475 /nfs/dbraw/zinc/72/24/75/344722475.db2.gz PWSKGFBTQFVUBG-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cn1 ZINC000626076448 344723293 /nfs/dbraw/zinc/72/32/93/344723293.db2.gz MYYDVEMFLZNPMX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cn1 ZINC000626076448 344723295 /nfs/dbraw/zinc/72/32/95/344723295.db2.gz MYYDVEMFLZNPMX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000626076818 344723781 /nfs/dbraw/zinc/72/37/81/344723781.db2.gz WWWATMJLBWADEW-SNVBAGLBSA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000626076818 344723783 /nfs/dbraw/zinc/72/37/83/344723783.db2.gz WWWATMJLBWADEW-SNVBAGLBSA-N 1 2 240.328 0.824 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626077435 344724555 /nfs/dbraw/zinc/72/45/55/344724555.db2.gz JWIWIIUZDYNIHX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626077435 344724557 /nfs/dbraw/zinc/72/45/57/344724557.db2.gz JWIWIIUZDYNIHX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000626080923 344726824 /nfs/dbraw/zinc/72/68/24/344726824.db2.gz TWLVLKULMMLMQE-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000626080923 344726827 /nfs/dbraw/zinc/72/68/27/344726827.db2.gz TWLVLKULMMLMQE-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000153005816 344732389 /nfs/dbraw/zinc/73/23/89/344732389.db2.gz OTOBCFSSVSHWMW-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000153005816 344732392 /nfs/dbraw/zinc/73/23/92/344732392.db2.gz OTOBCFSSVSHWMW-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO O=C1CN(Cc2cn3ccccc3[nH+]2)CCN1 ZINC000060935368 344742568 /nfs/dbraw/zinc/74/25/68/344742568.db2.gz PTPSTDLASDQAOT-UHFFFAOYSA-N 1 2 230.271 0.266 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC ZINC000259841322 344693761 /nfs/dbraw/zinc/69/37/61/344693761.db2.gz PSAZQIIVRDAKDG-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC ZINC000259841322 344693763 /nfs/dbraw/zinc/69/37/63/344693763.db2.gz PSAZQIIVRDAKDG-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626044176 344695520 /nfs/dbraw/zinc/69/55/20/344695520.db2.gz SNLWHRQAUQCWJJ-DTORHVGOSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626044176 344695521 /nfs/dbraw/zinc/69/55/21/344695521.db2.gz SNLWHRQAUQCWJJ-DTORHVGOSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046279 344696010 /nfs/dbraw/zinc/69/60/10/344696010.db2.gz XNWSNIBYSMAPKJ-DTORHVGOSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046279 344696012 /nfs/dbraw/zinc/69/60/12/344696012.db2.gz XNWSNIBYSMAPKJ-DTORHVGOSA-N 1 2 224.308 0.570 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000049956553 344703937 /nfs/dbraw/zinc/70/39/37/344703937.db2.gz XJCIFWOIYVISPC-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000049956553 344703938 /nfs/dbraw/zinc/70/39/38/344703938.db2.gz XJCIFWOIYVISPC-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO O=C1NCCC[C@@H]1[NH+]1CCN(CCCF)CC1 ZINC000626071222 344715390 /nfs/dbraw/zinc/71/53/90/344715390.db2.gz UJZLNANHULGFMN-NSHDSACASA-N 1 2 243.326 0.242 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000050063781 344717578 /nfs/dbraw/zinc/71/75/78/344717578.db2.gz WEZPGLAUKHEHHB-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000050063781 344717579 /nfs/dbraw/zinc/71/75/79/344717579.db2.gz WEZPGLAUKHEHHB-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CC[N@H+](CCCC(=O)OC)CC(=O)OC ZINC000050066417 344718258 /nfs/dbraw/zinc/71/82/58/344718258.db2.gz QGSDCFYMJJRTIM-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CC[N@@H+](CCCC(=O)OC)CC(=O)OC ZINC000050066417 344718259 /nfs/dbraw/zinc/71/82/59/344718259.db2.gz QGSDCFYMJJRTIM-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)OCC ZINC000050067224 344719016 /nfs/dbraw/zinc/71/90/16/344719016.db2.gz XUKVIPIKZPPVIS-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)OCC ZINC000050067224 344719017 /nfs/dbraw/zinc/71/90/17/344719017.db2.gz XUKVIPIKZPPVIS-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@](C)(O)C(C)C)c[nH+]1 ZINC000075116658 344765206 /nfs/dbraw/zinc/76/52/06/344765206.db2.gz DUIYSWAVKPCQGU-LLVKDONJSA-N 1 2 225.292 0.855 20 0 BCADLO COC(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000075312663 344770363 /nfs/dbraw/zinc/77/03/63/344770363.db2.gz NQMOTWIIQFDBDB-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO CN1CCC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1=O ZINC000493162440 530055224 /nfs/dbraw/zinc/05/52/24/530055224.db2.gz UTLVNXMSDMINEO-XNPJLODASA-N 1 2 248.286 0.160 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)OCC2CC2)C1 ZINC000496006207 530070292 /nfs/dbraw/zinc/07/02/92/530070292.db2.gz SPQSGJCAOKKDPE-NSHDSACASA-N 1 2 241.335 0.368 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)OCC2CC2)C1 ZINC000496006207 530070293 /nfs/dbraw/zinc/07/02/93/530070293.db2.gz SPQSGJCAOKKDPE-NSHDSACASA-N 1 2 241.335 0.368 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1c[nH+]cn1C ZINC000291269877 537860324 /nfs/dbraw/zinc/86/03/24/537860324.db2.gz QCCWPUJLAIMMAR-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1cncn1 ZINC000076812573 344806982 /nfs/dbraw/zinc/80/69/82/344806982.db2.gz GYRITNHDDVDCGM-XIZWVBILSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1cncn1 ZINC000076812573 344806983 /nfs/dbraw/zinc/80/69/83/344806983.db2.gz GYRITNHDDVDCGM-XIZWVBILSA-N 1 2 242.348 0.119 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000076730327 344808914 /nfs/dbraw/zinc/80/89/14/344808914.db2.gz SRBCKFGLXNFWFH-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000076730327 344808916 /nfs/dbraw/zinc/80/89/16/344808916.db2.gz SRBCKFGLXNFWFH-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO COCC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000077408883 344823697 /nfs/dbraw/zinc/82/36/97/344823697.db2.gz QTQOPPSBDOIFKD-NSHDSACASA-N 1 2 240.278 0.930 20 0 BCADLO COCC[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000077408883 344823698 /nfs/dbraw/zinc/82/36/98/344823698.db2.gz QTQOPPSBDOIFKD-NSHDSACASA-N 1 2 240.278 0.930 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cccc(F)n1 ZINC000077963098 344831229 /nfs/dbraw/zinc/83/12/29/344831229.db2.gz AKIFDODVGUOQCZ-UHFFFAOYSA-N 1 2 239.294 0.989 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ccccn1 ZINC000077963013 344831446 /nfs/dbraw/zinc/83/14/46/344831446.db2.gz HGTJKGALAWJCGC-UHFFFAOYSA-N 1 2 221.304 0.850 20 0 BCADLO CCOCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000583375790 344851343 /nfs/dbraw/zinc/85/13/43/344851343.db2.gz FAMMELPCYDHSDT-MRVPVSSYSA-N 1 2 229.305 0.296 20 0 BCADLO Cc1c[nH]c(CN2CCN3C(=O)CC[C@@H]3C2)[nH+]1 ZINC000628159148 344855046 /nfs/dbraw/zinc/85/50/46/344855046.db2.gz IOQDORKWWZBINX-SNVBAGLBSA-N 1 2 234.303 0.525 20 0 BCADLO CCn1ncnc1CNc1cc(CO)cc[nH+]1 ZINC000641547151 362495549 /nfs/dbraw/zinc/49/55/49/362495549.db2.gz MCUNTQWFVUOCKD-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO Cc1nc(N(C)[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000078295010 344843623 /nfs/dbraw/zinc/84/36/23/344843623.db2.gz KSKUAQOKXHNWRU-VIFPVBQESA-N 1 2 220.276 0.452 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)o1 ZINC000628162866 344861667 /nfs/dbraw/zinc/86/16/67/344861667.db2.gz HIVLJLOEFCYFBV-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)o1 ZINC000628162866 344861668 /nfs/dbraw/zinc/86/16/68/344861668.db2.gz HIVLJLOEFCYFBV-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)[C@H]2C(C)C)[nH+]1 ZINC000628162809 344861671 /nfs/dbraw/zinc/86/16/71/344861671.db2.gz FHYYRZDDHXZSSX-LLVKDONJSA-N 1 2 236.319 0.675 20 0 BCADLO Cc1cc(NC(CO)CO)nc(C2CC2)[nH+]1 ZINC000078409821 344862473 /nfs/dbraw/zinc/86/24/73/344862473.db2.gz NEOZERFRHDBRQN-UHFFFAOYSA-N 1 2 223.276 0.428 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000408240656 344865811 /nfs/dbraw/zinc/86/58/11/344865811.db2.gz FETPUNZDUAVMEU-SECBINFHSA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000408240656 344865814 /nfs/dbraw/zinc/86/58/14/344865814.db2.gz FETPUNZDUAVMEU-SECBINFHSA-N 1 2 239.323 0.385 20 0 BCADLO Cc1nc(N2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000408240496 344867480 /nfs/dbraw/zinc/86/74/80/344867480.db2.gz NJYUEJQMSUFVKR-MRVPVSSYSA-N 1 2 206.249 0.239 20 0 BCADLO CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000408241054 344868629 /nfs/dbraw/zinc/86/86/29/344868629.db2.gz SCGHVRNKFNEROR-NSHDSACASA-N 1 2 234.303 0.890 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000249145424 537870754 /nfs/dbraw/zinc/87/07/54/537870754.db2.gz GGCSEDBODQAMGY-JQWIXIFHSA-N 1 2 237.303 0.712 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000408244371 344888493 /nfs/dbraw/zinc/88/84/93/344888493.db2.gz CSPJJDIXJMHDGS-LLVKDONJSA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000408244371 344888497 /nfs/dbraw/zinc/88/84/97/344888497.db2.gz CSPJJDIXJMHDGS-LLVKDONJSA-N 1 2 239.323 0.385 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000249145424 537870765 /nfs/dbraw/zinc/87/07/65/537870765.db2.gz GGCSEDBODQAMGY-JQWIXIFHSA-N 1 2 237.303 0.712 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H](C)CS(C)(=O)=O)[nH+]1 ZINC000628174747 344896173 /nfs/dbraw/zinc/89/61/73/344896173.db2.gz VPSUFSFBQOMYNB-SECBINFHSA-N 1 2 245.348 0.583 20 0 BCADLO OC[C@@H](Nc1cc[nH+]cc1F)C1CCOCC1 ZINC000641548369 362496065 /nfs/dbraw/zinc/49/60/65/362496065.db2.gz KFAOPCRQRBNDRX-GFCCVEGCSA-N 1 2 240.278 0.842 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000153704811 344956992 /nfs/dbraw/zinc/95/69/92/344956992.db2.gz ULLGGQSPVNYESV-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000153704811 344956994 /nfs/dbraw/zinc/95/69/94/344956994.db2.gz ULLGGQSPVNYESV-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCO1 ZINC000153766982 344970825 /nfs/dbraw/zinc/97/08/25/344970825.db2.gz GSURUQBHGNVAFD-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO CN(C)c1ccnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359112220 187296590 /nfs/dbraw/zinc/29/65/90/187296590.db2.gz ADZFDEDNWDQRMZ-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1ccnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359112220 187296592 /nfs/dbraw/zinc/29/65/92/187296592.db2.gz ADZFDEDNWDQRMZ-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](CO)OC[C@H]2C)[nH+]1 ZINC000628191032 344944425 /nfs/dbraw/zinc/94/44/25/344944425.db2.gz XRNSWFQDRNZNQA-NXEZZACHSA-N 1 2 225.292 0.300 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/C1CC1 ZINC000079562353 344993267 /nfs/dbraw/zinc/99/32/67/344993267.db2.gz NXIZCTXQDNTAFI-ZWNMCFTASA-N 1 2 238.331 0.790 20 0 BCADLO CCOC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000583449795 344996626 /nfs/dbraw/zinc/99/66/26/344996626.db2.gz WYBSTIHDLSQCSA-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CCOC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000583449795 344996628 /nfs/dbraw/zinc/99/66/28/344996628.db2.gz WYBSTIHDLSQCSA-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CCOC(=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000583449796 344996698 /nfs/dbraw/zinc/99/66/98/344996698.db2.gz WYBSTIHDLSQCSA-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO CCOC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000583449796 344996700 /nfs/dbraw/zinc/99/67/00/344996700.db2.gz WYBSTIHDLSQCSA-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO CN(CCOCCO)c1cc[nH+]cc1F ZINC000641553930 362498628 /nfs/dbraw/zinc/49/86/28/362498628.db2.gz CYYSFJHZHALDLE-UHFFFAOYSA-N 1 2 214.240 0.666 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC(=O)N1C ZINC000641554414 362499539 /nfs/dbraw/zinc/49/95/39/362499539.db2.gz HISJLCSOSUVPII-VIFPVBQESA-N 1 2 235.287 0.241 20 0 BCADLO CC(C)(C(=O)N1CC[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000408273276 345008253 /nfs/dbraw/zinc/00/82/53/345008253.db2.gz OTNJHZGSSKGJMN-MRVPVSSYSA-N 1 2 223.276 0.281 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000408285374 345045734 /nfs/dbraw/zinc/04/57/34/345045734.db2.gz GNBVZACTXOBVTP-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cnc(C[N@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000408285374 345045735 /nfs/dbraw/zinc/04/57/35/345045735.db2.gz GNBVZACTXOBVTP-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000154228758 345021827 /nfs/dbraw/zinc/02/18/27/345021827.db2.gz ZMJIMVYSVCQWJA-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000154228758 345021830 /nfs/dbraw/zinc/02/18/30/345021830.db2.gz ZMJIMVYSVCQWJA-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000079767318 345033441 /nfs/dbraw/zinc/03/34/41/345033441.db2.gz HMSKNZLKIIZXSM-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000079767318 345033442 /nfs/dbraw/zinc/03/34/42/345033442.db2.gz HMSKNZLKIIZXSM-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO COCC(COC)Nc1cc(CO)cc[nH+]1 ZINC000641621434 362553153 /nfs/dbraw/zinc/55/31/53/362553153.db2.gz QQPIVNJWEFBLOY-UHFFFAOYSA-N 1 2 226.276 0.647 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)CO1 ZINC000408298804 345077886 /nfs/dbraw/zinc/07/78/86/345077886.db2.gz QVLWHQNPRRGXKO-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H](CC(=O)N1C[C@H]2C[C@@]2(O)C1)n1cc[nH+]c1 ZINC000641586365 362524965 /nfs/dbraw/zinc/52/49/65/362524965.db2.gz ISNXLLIUOVDVBI-CKYFFXLPSA-N 1 2 235.287 0.427 20 0 BCADLO CCOC(=O)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360373786 187300247 /nfs/dbraw/zinc/30/02/47/187300247.db2.gz ABZFHQZAXARMFV-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H]2C[C@]2(O)C1)n1cc[nH+]c1 ZINC000641586515 362525811 /nfs/dbraw/zinc/52/58/11/362525811.db2.gz ISNXLLIUOVDVBI-SCVCMEIPSA-N 1 2 235.287 0.427 20 0 BCADLO NC(=O)[C@@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641623041 362554246 /nfs/dbraw/zinc/55/42/46/362554246.db2.gz BVGYQGNJABKUSQ-ZJUUUORDSA-N 1 2 235.287 0.640 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)NC2CC2)CC1(C)C ZINC000641593232 362535839 /nfs/dbraw/zinc/53/58/39/362535839.db2.gz OUKUCNKDABLZJZ-UHFFFAOYSA-N 1 2 247.364 0.009 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)NC2CC2)CC1(C)C ZINC000641593232 362535845 /nfs/dbraw/zinc/53/58/45/362535845.db2.gz OUKUCNKDABLZJZ-UHFFFAOYSA-N 1 2 247.364 0.009 20 0 BCADLO COC(=O)c1cn(Cc2cn(C)c[nH+]2)c(C)n1 ZINC000603324732 349923201 /nfs/dbraw/zinc/92/32/01/349923201.db2.gz HAHXPHHBVJHTGE-UHFFFAOYSA-N 1 2 234.259 0.760 20 0 BCADLO CC(C)(CNc1cc(CO)cc[nH+]1)OCCO ZINC000641598956 362539203 /nfs/dbraw/zinc/53/92/03/362539203.db2.gz RCTLMGZVXZUQCO-UHFFFAOYSA-N 1 2 240.303 0.773 20 0 BCADLO Cc1nc(N2C[C@@H](O)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408292672 345062973 /nfs/dbraw/zinc/06/29/73/345062973.db2.gz UNBAJGQJOPSQGX-CBAPKCEASA-N 1 2 237.307 0.206 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC000408292672 345062977 /nfs/dbraw/zinc/06/29/77/345062977.db2.gz UNBAJGQJOPSQGX-CBAPKCEASA-N 1 2 237.307 0.206 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641606519 362543232 /nfs/dbraw/zinc/54/32/32/362543232.db2.gz FVJAHBSSNRQGMG-ZETCQYMHSA-N 1 2 209.249 0.120 20 0 BCADLO CCCN(CC(N)=O)c1cc(CO)cc[nH+]1 ZINC000641608594 362543304 /nfs/dbraw/zinc/54/33/04/362543304.db2.gz UTWHFSAPRNEENK-UHFFFAOYSA-N 1 2 223.276 0.276 20 0 BCADLO C[C@H](O)[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641637428 362568255 /nfs/dbraw/zinc/56/82/55/362568255.db2.gz JWSFBDAVKJGRDH-GXSJLCMTSA-N 1 2 238.287 0.160 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641640735 362570239 /nfs/dbraw/zinc/57/02/39/362570239.db2.gz RBDLSHUMLPWJDA-SNVBAGLBSA-N 1 2 235.287 0.146 20 0 BCADLO CC1(C(N)=O)CN(c2cc[nH+]cc2F)C1 ZINC000641646177 362572443 /nfs/dbraw/zinc/57/24/43/362572443.db2.gz VORPRIZJTXICGJ-UHFFFAOYSA-N 1 2 209.224 0.532 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000158858602 187300900 /nfs/dbraw/zinc/30/09/00/187300900.db2.gz RUCLKIYZEGJMOR-SSDOTTSWSA-N 1 2 243.332 0.914 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000158858602 187300901 /nfs/dbraw/zinc/30/09/01/187300901.db2.gz RUCLKIYZEGJMOR-SSDOTTSWSA-N 1 2 243.332 0.914 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000641650524 362575561 /nfs/dbraw/zinc/57/55/61/362575561.db2.gz RRQAKCZJQZKXQB-WDEREUQCSA-N 1 2 238.287 0.160 20 0 BCADLO CCN1C[C@H](CNc2cc[nH+]cc2F)CC1=O ZINC000641649301 362575739 /nfs/dbraw/zinc/57/57/39/362575739.db2.gz CWPYOMXLEONJOG-VIFPVBQESA-N 1 2 237.278 0.923 20 0 BCADLO O=C1NCCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641629589 362560099 /nfs/dbraw/zinc/56/00/99/362560099.db2.gz JMWXUBCMQGVIGW-JTQLQIEISA-N 1 2 235.287 0.512 20 0 BCADLO CCS(=O)(=O)CCCNc1cc[nH+]cc1F ZINC000641635840 362565048 /nfs/dbraw/zinc/56/50/48/362565048.db2.gz OMINFMSVEJJWDB-UHFFFAOYSA-N 1 2 246.307 0.879 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]cc2F)CC[C@H]1O ZINC000641635289 362565217 /nfs/dbraw/zinc/56/52/17/362565217.db2.gz ATJQBHQTBRXYJV-GZMMTYOYSA-N 1 2 226.251 0.400 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156249333 345138555 /nfs/dbraw/zinc/13/85/55/345138555.db2.gz DGNMDVWLJGYVTQ-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1ccon1 ZINC000634966867 345140178 /nfs/dbraw/zinc/14/01/78/345140178.db2.gz AKEIEVZTLGLDMV-SECBINFHSA-N 1 2 200.238 0.162 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2ccon2)CN1C1CC1 ZINC000634967489 345142860 /nfs/dbraw/zinc/14/28/60/345142860.db2.gz PMCRKYMVZUXAIX-VIFPVBQESA-N 1 2 221.260 0.528 20 0 BCADLO COCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635056997 345230842 /nfs/dbraw/zinc/23/08/42/345230842.db2.gz OIDNHGFHHMTRQC-HTQZYQBOSA-N 1 2 209.249 0.276 20 0 BCADLO COCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635056997 345230844 /nfs/dbraw/zinc/23/08/44/345230844.db2.gz OIDNHGFHHMTRQC-HTQZYQBOSA-N 1 2 209.249 0.276 20 0 BCADLO C[C@@H](C[S@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603333097 349925659 /nfs/dbraw/zinc/92/56/59/349925659.db2.gz CZGBJTQRPOJUHR-AYVTZFPOSA-N 1 2 228.317 0.753 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCOCC12CC2 ZINC000622588034 345317546 /nfs/dbraw/zinc/31/75/46/345317546.db2.gz WALSSJMATNMHJX-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000408468764 345321138 /nfs/dbraw/zinc/32/11/38/345321138.db2.gz RIXOQWLHIJPKEM-OYNCUSHFSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000408468764 345321141 /nfs/dbraw/zinc/32/11/41/345321141.db2.gz RIXOQWLHIJPKEM-OYNCUSHFSA-N 1 2 224.308 0.877 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635247488 345284172 /nfs/dbraw/zinc/28/41/72/345284172.db2.gz APCZBQSBTJQTJW-IWSPIJDZSA-N 1 2 223.276 0.400 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635247488 345284174 /nfs/dbraw/zinc/28/41/74/345284174.db2.gz APCZBQSBTJQTJW-IWSPIJDZSA-N 1 2 223.276 0.400 20 0 BCADLO CC(C)C[C@@H](C(=O)NC[C@@H](C)O)n1cc[nH+]c1 ZINC000635248915 345286141 /nfs/dbraw/zinc/28/61/41/345286141.db2.gz OVPMTCYDAVFORJ-MNOVXSKESA-N 1 2 239.319 0.967 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@H](C)CO)cc2[nH+]1 ZINC000635249507 345286688 /nfs/dbraw/zinc/28/66/88/345286688.db2.gz CKBIYRBKPGNAJO-SECBINFHSA-N 1 2 233.271 0.753 20 0 BCADLO CC(C)C[C@H](C(=O)N[C@H](C)CO)n1cc[nH+]c1 ZINC000635250059 345287725 /nfs/dbraw/zinc/28/77/25/345287725.db2.gz KTROAOXKMGQERG-GHMZBOCLSA-N 1 2 239.319 0.967 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2cnn(C)c2)[nH+]1 ZINC000635262095 345290850 /nfs/dbraw/zinc/29/08/50/345290850.db2.gz KBEAUUXKNCRLFM-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635284074 345295498 /nfs/dbraw/zinc/29/54/98/345295498.db2.gz ZXIWURVBFWHOSV-HTQZYQBOSA-N 1 2 217.232 0.875 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635284074 345295499 /nfs/dbraw/zinc/29/54/99/345295499.db2.gz ZXIWURVBFWHOSV-HTQZYQBOSA-N 1 2 217.232 0.875 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CCOC)[nH+]1 ZINC000635395154 345342421 /nfs/dbraw/zinc/34/24/21/345342421.db2.gz OFDLYXFEOGBSRD-UHFFFAOYSA-N 1 2 225.292 0.619 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2cnn(C)c2)[nH+]1 ZINC000635411198 345353242 /nfs/dbraw/zinc/35/32/42/345353242.db2.gz PRADVYMJQJWHJO-UHFFFAOYSA-N 1 2 247.302 0.565 20 0 BCADLO O=S1(=O)CC(CCOc2cc[nH+]cc2)C1 ZINC000562390722 345372989 /nfs/dbraw/zinc/37/29/89/345372989.db2.gz SEKRFKIXSOOHHS-UHFFFAOYSA-N 1 2 227.285 0.895 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOC(C)(C)C ZINC000158796004 345375346 /nfs/dbraw/zinc/37/53/46/345375346.db2.gz GLZCUHLFXQTEEV-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOC(C)(C)C ZINC000158796004 345375347 /nfs/dbraw/zinc/37/53/47/345375347.db2.gz GLZCUHLFXQTEEV-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCNC(=O)C1 ZINC000151572413 345378504 /nfs/dbraw/zinc/37/85/04/345378504.db2.gz BQIIJZAUCHUPIS-SSDOTTSWSA-N 1 2 235.243 0.252 20 0 BCADLO Cc1nnc(NC[C@@H]2C[N@H+](C)CCO2)nc1C ZINC000158840993 345382020 /nfs/dbraw/zinc/38/20/20/345382020.db2.gz PNXWFDUSOWMBHZ-SNVBAGLBSA-N 1 2 237.307 0.231 20 0 BCADLO Cc1nnc(NC[C@@H]2C[N@@H+](C)CCO2)nc1C ZINC000158840993 345382024 /nfs/dbraw/zinc/38/20/24/345382024.db2.gz PNXWFDUSOWMBHZ-SNVBAGLBSA-N 1 2 237.307 0.231 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)[nH]1 ZINC000159125892 345410813 /nfs/dbraw/zinc/41/08/13/345410813.db2.gz JLYWJXNZZDEBMN-VIFPVBQESA-N 1 2 239.323 0.357 20 0 BCADLO CCC(=O)N1CCN(c2cc(C)[nH+]cn2)C1 ZINC000425280355 192088363 /nfs/dbraw/zinc/08/83/63/192088363.db2.gz XJUFMPVNQYXHFH-UHFFFAOYSA-N 1 2 220.276 0.801 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CCC2)NC1CC1 ZINC000135507483 345443355 /nfs/dbraw/zinc/44/33/55/345443355.db2.gz BECYDHIBURZDOG-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO O=C(C[N@H+]1CCOCC12CCC2)NC1CC1 ZINC000135507483 345443357 /nfs/dbraw/zinc/44/33/57/345443357.db2.gz BECYDHIBURZDOG-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)C(=O)OC ZINC000158979987 345396243 /nfs/dbraw/zinc/39/62/43/345396243.db2.gz BOJKIDTUVUKNRA-KOLCDFICSA-N 1 2 231.292 0.333 20 0 BCADLO Cc1ccc([C@H]2C[N@H+](CCO)CCO2)o1 ZINC000159016546 345399667 /nfs/dbraw/zinc/39/96/67/345399667.db2.gz UFHUNRMKEZNQLM-LLVKDONJSA-N 1 2 211.261 0.954 20 0 BCADLO Cc1ccc([C@H]2C[N@@H+](CCO)CCO2)o1 ZINC000159016546 345399668 /nfs/dbraw/zinc/39/96/68/345399668.db2.gz UFHUNRMKEZNQLM-LLVKDONJSA-N 1 2 211.261 0.954 20 0 BCADLO Cn1c[nH+]c(CSCCc2nn[nH]n2)c1 ZINC000603339272 349929421 /nfs/dbraw/zinc/92/94/21/349929421.db2.gz CSMUNFVPOWOMEV-UHFFFAOYSA-N 1 2 224.293 0.409 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC(F)(F)F ZINC000082268653 345499244 /nfs/dbraw/zinc/49/92/44/345499244.db2.gz HKNWELKAXVWPEE-UHFFFAOYSA-N 1 2 221.182 0.989 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cnccn1 ZINC000080979681 345457565 /nfs/dbraw/zinc/45/75/65/345457565.db2.gz YOMCQGWDQZILCI-VIFPVBQESA-N 1 2 234.303 0.576 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1cnccn1 ZINC000080979681 345457566 /nfs/dbraw/zinc/45/75/66/345457566.db2.gz YOMCQGWDQZILCI-VIFPVBQESA-N 1 2 234.303 0.576 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cnccn1 ZINC000080979683 345457577 /nfs/dbraw/zinc/45/75/77/345457577.db2.gz YOMCQGWDQZILCI-SECBINFHSA-N 1 2 234.303 0.576 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1cnccn1 ZINC000080979683 345457578 /nfs/dbraw/zinc/45/75/78/345457578.db2.gz YOMCQGWDQZILCI-SECBINFHSA-N 1 2 234.303 0.576 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCNC1=O ZINC000635535710 345483352 /nfs/dbraw/zinc/48/33/52/345483352.db2.gz OLQHDWIEUZAOJV-GFCCVEGCSA-N 1 2 233.271 0.277 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635535149 345487258 /nfs/dbraw/zinc/48/72/58/345487258.db2.gz LLPJXQMBJKTFNP-DTORHVGOSA-N 1 2 206.245 0.521 20 0 BCADLO COC(=O)c1sccc1C[N@H+](C)CCO ZINC000088495428 345541128 /nfs/dbraw/zinc/54/11/28/345541128.db2.gz DSSBWQGOQGGNOJ-UHFFFAOYSA-N 1 2 229.301 0.959 20 0 BCADLO COC(=O)c1sccc1C[N@@H+](C)CCO ZINC000088495428 345541211 /nfs/dbraw/zinc/54/12/11/345541211.db2.gz DSSBWQGOQGGNOJ-UHFFFAOYSA-N 1 2 229.301 0.959 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635538790 345512088 /nfs/dbraw/zinc/51/20/88/345512088.db2.gz UWKMBCSUJMDCOV-OCAPTIKFSA-N 1 2 209.249 0.139 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCn1cccc1 ZINC000084437050 345512741 /nfs/dbraw/zinc/51/27/41/345512741.db2.gz AIEHISFHYRAQTK-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)[nH]1 ZINC000626121776 345518064 /nfs/dbraw/zinc/51/80/64/345518064.db2.gz ULJZVSINHNSQSL-PSASIEDQSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)[nH]1 ZINC000626121776 345518066 /nfs/dbraw/zinc/51/80/66/345518066.db2.gz ULJZVSINHNSQSL-PSASIEDQSA-N 1 2 224.308 0.706 20 0 BCADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091588136 345599425 /nfs/dbraw/zinc/59/94/25/345599425.db2.gz VBIGHTBMCHRATR-JGVFFNPUSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091588136 345599429 /nfs/dbraw/zinc/59/94/29/345599429.db2.gz VBIGHTBMCHRATR-JGVFFNPUSA-N 1 2 210.281 0.718 20 0 BCADLO CC1(C)[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC000091582304 345599547 /nfs/dbraw/zinc/59/95/47/345599547.db2.gz ZGLAJKQOOOIUHF-KNVOCYPGSA-N 1 2 208.265 0.186 20 0 BCADLO CC1(C)[C@@H]2C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC000091582304 345599549 /nfs/dbraw/zinc/59/95/49/345599549.db2.gz ZGLAJKQOOOIUHF-KNVOCYPGSA-N 1 2 208.265 0.186 20 0 BCADLO Cc1nc(N[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000172762513 345604144 /nfs/dbraw/zinc/60/41/44/345604144.db2.gz GJOFEEWYDQCAJO-MRVPVSSYSA-N 1 2 206.249 0.428 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092216936 345608515 /nfs/dbraw/zinc/60/85/15/345608515.db2.gz HIIOMRGVDBOQSW-UWVGGRQHSA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000600978200 345615380 /nfs/dbraw/zinc/61/53/80/345615380.db2.gz DMUPYJFWAKVYGO-QMMMGPOBSA-N 1 2 235.247 0.257 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cnnn1C ZINC000092103681 345616474 /nfs/dbraw/zinc/61/64/74/345616474.db2.gz OQCUKJZYTASLPJ-UHFFFAOYSA-N 1 2 239.323 0.019 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cnnn1C ZINC000092103681 345616476 /nfs/dbraw/zinc/61/64/76/345616476.db2.gz OQCUKJZYTASLPJ-UHFFFAOYSA-N 1 2 239.323 0.019 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cc(COC)on1 ZINC000641703186 362612715 /nfs/dbraw/zinc/61/27/15/362612715.db2.gz IENOWPRCJHUXDK-UHFFFAOYSA-N 1 2 241.291 0.437 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000641711285 362620850 /nfs/dbraw/zinc/62/08/50/362620850.db2.gz BNQLOTIFYIMGNU-GWCFXTLKSA-N 1 2 246.314 0.648 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000641711285 362620852 /nfs/dbraw/zinc/62/08/52/362620852.db2.gz BNQLOTIFYIMGNU-GWCFXTLKSA-N 1 2 246.314 0.648 20 0 BCADLO C[S@@](=O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000603372118 349934987 /nfs/dbraw/zinc/93/49/87/349934987.db2.gz QJPFEWAKGNAJHT-OAHLLOKOSA-N 1 2 228.292 0.966 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H]2C[C@@]2(O)C1 ZINC000641712228 362623813 /nfs/dbraw/zinc/62/38/13/362623813.db2.gz MTGJAWXYVACANA-LDYMZIIASA-N 1 2 206.245 0.661 20 0 BCADLO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)nc[nH+]1 ZINC000092977916 345650596 /nfs/dbraw/zinc/65/05/96/345650596.db2.gz FHGGQDLJAIAXJQ-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO CN1CCOC[C@@H]1CNc1cc[nH+]cc1F ZINC000641678907 362601283 /nfs/dbraw/zinc/60/12/83/362601283.db2.gz WIBDDASLYFYUEO-VIFPVBQESA-N 1 2 225.267 0.385 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093334289 345652948 /nfs/dbraw/zinc/65/29/48/345652948.db2.gz MBQUCYNYAAREGK-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093334289 345652949 /nfs/dbraw/zinc/65/29/49/345652949.db2.gz MBQUCYNYAAREGK-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093342510 345653801 /nfs/dbraw/zinc/65/38/01/345653801.db2.gz ISXLHDVPMFVSBI-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093342510 345653804 /nfs/dbraw/zinc/65/38/04/345653804.db2.gz ISXLHDVPMFVSBI-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229509248 345695174 /nfs/dbraw/zinc/69/51/74/345695174.db2.gz VWXUWXLBKNZYIA-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229509248 345695176 /nfs/dbraw/zinc/69/51/76/345695176.db2.gz VWXUWXLBKNZYIA-DTWKUNHWSA-N 1 2 212.293 0.374 20 0 BCADLO O=C1C[N@H+](CC2=CCCOC2)CCN1C1CC1 ZINC000093444805 345670870 /nfs/dbraw/zinc/67/08/70/345670870.db2.gz HKEAWUVYRJHRRG-UHFFFAOYSA-N 1 2 236.315 0.640 20 0 BCADLO O=C1C[N@@H+](CC2=CCCOC2)CCN1C1CC1 ZINC000093444805 345670873 /nfs/dbraw/zinc/67/08/73/345670873.db2.gz HKEAWUVYRJHRRG-UHFFFAOYSA-N 1 2 236.315 0.640 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628292564 347086922 /nfs/dbraw/zinc/08/69/22/347086922.db2.gz JQWCZRNIAKMFIB-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628292564 347086924 /nfs/dbraw/zinc/08/69/24/347086924.db2.gz JQWCZRNIAKMFIB-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO COC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000139996847 345699073 /nfs/dbraw/zinc/69/90/73/345699073.db2.gz ALXLJJPIFJOOQJ-UHFFFAOYSA-N 1 2 238.291 0.267 20 0 BCADLO Cn1nnc(C[NH2+]Cc2ccc(O)cc2)n1 ZINC000236098220 537909373 /nfs/dbraw/zinc/90/93/73/537909373.db2.gz MMUMZPVGQRRYFQ-UHFFFAOYSA-N 1 2 219.248 0.206 20 0 BCADLO CN(C(=O)C[NH+]1CCOCC1)C(C)(C)C ZINC000144892043 345709209 /nfs/dbraw/zinc/70/92/09/345709209.db2.gz IJTBCEVMZTXVBL-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000168464163 345723108 /nfs/dbraw/zinc/72/31/08/345723108.db2.gz AWVLINDXXLNBGA-UHFFFAOYSA-N 1 2 221.260 0.013 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C(F)F)C1 ZINC000684339230 488294949 /nfs/dbraw/zinc/29/49/49/488294949.db2.gz AJXJGLPGYCPXGN-ZETCQYMHSA-N 1 2 236.262 0.477 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C(F)F)C1 ZINC000684339230 488294952 /nfs/dbraw/zinc/29/49/52/488294952.db2.gz AJXJGLPGYCPXGN-ZETCQYMHSA-N 1 2 236.262 0.477 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000635619761 345893131 /nfs/dbraw/zinc/89/31/31/345893131.db2.gz WOGVAAXEZCGRJP-NSHDSACASA-N 1 2 249.318 0.174 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000635619761 345893132 /nfs/dbraw/zinc/89/31/32/345893132.db2.gz WOGVAAXEZCGRJP-NSHDSACASA-N 1 2 249.318 0.174 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635588942 345882904 /nfs/dbraw/zinc/88/29/04/345882904.db2.gz KSSMGRCEZBLOEQ-RKDXNWHRSA-N 1 2 235.287 0.544 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635588942 345882908 /nfs/dbraw/zinc/88/29/08/345882908.db2.gz KSSMGRCEZBLOEQ-RKDXNWHRSA-N 1 2 235.287 0.544 20 0 BCADLO Cc1nc[nH]c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000635591352 345883736 /nfs/dbraw/zinc/88/37/36/345883736.db2.gz DDTWJYBMQLZSKY-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c[nH]cn1 ZINC000626158396 345899866 /nfs/dbraw/zinc/89/98/66/345899866.db2.gz QJMWOSKTFFJKLS-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1c[nH]cn1 ZINC000626158396 345899867 /nfs/dbraw/zinc/89/98/67/345899867.db2.gz QJMWOSKTFFJKLS-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnc[nH]1 ZINC000626158396 345899868 /nfs/dbraw/zinc/89/98/68/345899868.db2.gz QJMWOSKTFFJKLS-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnc[nH]1 ZINC000626158396 345899869 /nfs/dbraw/zinc/89/98/69/345899869.db2.gz QJMWOSKTFFJKLS-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000280512643 345912444 /nfs/dbraw/zinc/91/24/44/345912444.db2.gz DDZMGYURHYISOA-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO COC(=O)[C@@H](C)N(C)CCn1cc[nH+]c1 ZINC000280512643 345912448 /nfs/dbraw/zinc/91/24/48/345912448.db2.gz DDZMGYURHYISOA-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620877818 345918980 /nfs/dbraw/zinc/91/89/80/345918980.db2.gz DXIGVNYGLWQOIC-FXPVBKGRSA-N 1 2 235.287 0.085 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000166947648 345963666 /nfs/dbraw/zinc/96/36/66/345963666.db2.gz QMPKSBZHBTTWLP-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000166947648 345963667 /nfs/dbraw/zinc/96/36/67/345963667.db2.gz QMPKSBZHBTTWLP-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)CCO)[nH+]1 ZINC000635692502 345980670 /nfs/dbraw/zinc/98/06/70/345980670.db2.gz OSDACMRIAOXYAA-VIFPVBQESA-N 1 2 239.319 0.649 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000635698024 345986703 /nfs/dbraw/zinc/98/67/03/345986703.db2.gz GPIYEMOCTVVOFL-RKDXNWHRSA-N 1 2 239.319 0.648 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2(COC)CC2)[nH+]1 ZINC000635701506 345989893 /nfs/dbraw/zinc/98/98/93/345989893.db2.gz YIQJFAXWAGWVAQ-UHFFFAOYSA-N 1 2 237.303 0.810 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000635742715 346054552 /nfs/dbraw/zinc/05/45/52/346054552.db2.gz HOQUKKGGVOISLM-BFLSOPEQSA-N 1 2 249.314 0.743 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000635742715 346054555 /nfs/dbraw/zinc/05/45/55/346054555.db2.gz HOQUKKGGVOISLM-BFLSOPEQSA-N 1 2 249.314 0.743 20 0 BCADLO Cc1nnsc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000563216026 323103160 /nfs/dbraw/zinc/10/31/60/323103160.db2.gz INLUPKVEFBZFAY-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO Cc1nnsc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000563216026 323103161 /nfs/dbraw/zinc/10/31/61/323103161.db2.gz INLUPKVEFBZFAY-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC(C)(O)C3)cc2[nH+]1 ZINC000635716702 346026780 /nfs/dbraw/zinc/02/67/80/346026780.db2.gz VLCGXMHJCCCYAO-UHFFFAOYSA-N 1 2 245.282 0.850 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)CC(C)=O)[nH+]1 ZINC000635724126 346033982 /nfs/dbraw/zinc/03/39/82/346033982.db2.gz FGPSSFAJFKQBHO-MRVPVSSYSA-N 1 2 237.303 0.998 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@](C)(CC)CO)[nH+]1 ZINC000635739522 346040836 /nfs/dbraw/zinc/04/08/36/346040836.db2.gz IIYIUSSAEILRDX-LBPRGKRZSA-N 1 2 239.319 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@](C)(CC)CO)[nH+]1 ZINC000635739521 346040919 /nfs/dbraw/zinc/04/09/19/346040919.db2.gz IIYIUSSAEILRDX-GFCCVEGCSA-N 1 2 239.319 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@@H](C)CO)[nH+]1 ZINC000635731250 346043132 /nfs/dbraw/zinc/04/31/32/346043132.db2.gz RTBMQVKHOGAEIU-QMMMGPOBSA-N 1 2 225.292 0.354 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000617866081 346044744 /nfs/dbraw/zinc/04/47/44/346044744.db2.gz HFYGCGSAJBEJFZ-PSLIRLAXSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000617866081 346044745 /nfs/dbraw/zinc/04/47/45/346044745.db2.gz HFYGCGSAJBEJFZ-PSLIRLAXSA-N 1 2 227.333 0.753 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)c2ncon2)[nH+]1 ZINC000635751195 346048981 /nfs/dbraw/zinc/04/89/81/346048981.db2.gz YPBLMUMDUIVRMV-ZETCQYMHSA-N 1 2 249.274 0.775 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CO)C(C)C)[nH+]1 ZINC000635753136 346049678 /nfs/dbraw/zinc/04/96/78/346049678.db2.gz JPMSSZPNUXKJLF-SNVBAGLBSA-N 1 2 239.319 0.648 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635798214 346067074 /nfs/dbraw/zinc/06/70/74/346067074.db2.gz OEGLXKGSSCSEND-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635798214 346067075 /nfs/dbraw/zinc/06/70/75/346067075.db2.gz OEGLXKGSSCSEND-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC(F)(F)CO)[nH+]1 ZINC000635806809 346072600 /nfs/dbraw/zinc/07/26/00/346072600.db2.gz OTFBDKPHXOWJKM-UHFFFAOYSA-N 1 2 247.245 0.258 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)c2ccn(C)n2)[nH+]1 ZINC000635812947 346074612 /nfs/dbraw/zinc/07/46/12/346074612.db2.gz WFRRCOFTAJVEHG-UHFFFAOYSA-N 1 2 247.302 0.911 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635820654 346076250 /nfs/dbraw/zinc/07/62/50/346076250.db2.gz QYSPRRSFDZRUPM-HZQMYPQZSA-N 1 2 249.314 0.789 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635820654 346076253 /nfs/dbraw/zinc/07/62/53/346076253.db2.gz QYSPRRSFDZRUPM-HZQMYPQZSA-N 1 2 249.314 0.789 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635851088 346090608 /nfs/dbraw/zinc/09/06/08/346090608.db2.gz QEEPZRDYINIBQZ-IWSPIJDZSA-N 1 2 223.276 0.664 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635851088 346090611 /nfs/dbraw/zinc/09/06/11/346090611.db2.gz QEEPZRDYINIBQZ-IWSPIJDZSA-N 1 2 223.276 0.664 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCCCCO)[nH+]1 ZINC000635871344 346092891 /nfs/dbraw/zinc/09/28/91/346092891.db2.gz DVRLACZXJDLMOL-UHFFFAOYSA-N 1 2 239.319 0.793 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(O)(CC)C2)[nH+]1 ZINC000635901706 346107056 /nfs/dbraw/zinc/10/70/56/346107056.db2.gz GZZDCQQONDHSCD-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)O ZINC000635991578 346142162 /nfs/dbraw/zinc/14/21/62/346142162.db2.gz PGRRIOLANIPBLP-KYXWUPHJSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)O ZINC000635991578 346142163 /nfs/dbraw/zinc/14/21/63/346142163.db2.gz PGRRIOLANIPBLP-KYXWUPHJSA-N 1 2 237.303 0.789 20 0 BCADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)CO ZINC000635967332 346126607 /nfs/dbraw/zinc/12/66/07/346126607.db2.gz AFKYZPVCWIAMFD-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)CO ZINC000635967332 346126608 /nfs/dbraw/zinc/12/66/08/346126608.db2.gz AFKYZPVCWIAMFD-IVZWLZJFSA-N 1 2 237.303 0.743 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC2=CCOCC2)[nH+]1 ZINC000635978284 346131085 /nfs/dbraw/zinc/13/10/85/346131085.db2.gz ONDFZQAPOROGJG-UHFFFAOYSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)c2[nH+]ccn21 ZINC000635994945 346144821 /nfs/dbraw/zinc/14/48/21/346144821.db2.gz KBHZNCYNEVJGPF-DOLQZWNJSA-N 1 2 235.287 0.776 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635981888 346146737 /nfs/dbraw/zinc/14/67/37/346146737.db2.gz AGCHJAKLJKRUAQ-BBBLOLIVSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(NC[C@@H](O)C1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636006742 346148076 /nfs/dbraw/zinc/14/80/76/346148076.db2.gz CBTJGCFGPDQVMN-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NC[C@@H](O)C1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636006742 346148079 /nfs/dbraw/zinc/14/80/79/346148079.db2.gz CBTJGCFGPDQVMN-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000636014283 346155332 /nfs/dbraw/zinc/15/53/32/346155332.db2.gz JXJAGKMSELDWND-NXEZZACHSA-N 1 2 237.303 0.544 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636009141 346160408 /nfs/dbraw/zinc/16/04/08/346160408.db2.gz KECUFNJIFXJSKP-LMLFDSFASA-N 1 2 249.314 0.743 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636009141 346160411 /nfs/dbraw/zinc/16/04/11/346160411.db2.gz KECUFNJIFXJSKP-LMLFDSFASA-N 1 2 249.314 0.743 20 0 BCADLO O=C1C[N@H+](Cc2cncnc2)[C@@H]2CCCC[C@@H]2N1 ZINC000245551926 537953132 /nfs/dbraw/zinc/95/31/32/537953132.db2.gz CAWWRXYDXOEHOL-NWDGAFQWSA-N 1 2 246.314 0.720 20 0 BCADLO O=C1C[N@@H+](Cc2cncnc2)[C@@H]2CCCC[C@@H]2N1 ZINC000245551926 537953137 /nfs/dbraw/zinc/95/31/37/537953137.db2.gz CAWWRXYDXOEHOL-NWDGAFQWSA-N 1 2 246.314 0.720 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000167034103 346184503 /nfs/dbraw/zinc/18/45/03/346184503.db2.gz FFTGHXPKZAPUCW-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000167034103 346184507 /nfs/dbraw/zinc/18/45/07/346184507.db2.gz FFTGHXPKZAPUCW-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO O=C1C[N@H+](Cc2cncnc2)[C@@H]2CCCC[C@H]2N1 ZINC000245551927 537954527 /nfs/dbraw/zinc/95/45/27/537954527.db2.gz CAWWRXYDXOEHOL-VXGBXAGGSA-N 1 2 246.314 0.720 20 0 BCADLO O=C1C[N@@H+](Cc2cncnc2)[C@@H]2CCCC[C@H]2N1 ZINC000245551927 537954531 /nfs/dbraw/zinc/95/45/31/537954531.db2.gz CAWWRXYDXOEHOL-VXGBXAGGSA-N 1 2 246.314 0.720 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC000673674058 488302561 /nfs/dbraw/zinc/30/25/61/488302561.db2.gz AMZPOQCRMQBCMC-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](O)CC(F)(F)C2)[nH+]1 ZINC000628248305 346216770 /nfs/dbraw/zinc/21/67/70/346216770.db2.gz IKSDODAGVAUXCI-MRVPVSSYSA-N 1 2 231.246 0.920 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)c[nH]2)C[C@@H]1OC ZINC000628251507 346221944 /nfs/dbraw/zinc/22/19/44/346221944.db2.gz JUWSAQQFALLHRC-AOOOYVTPSA-N 1 2 225.292 0.564 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)c[nH]2)C[C@@H]1OC ZINC000628251507 346221945 /nfs/dbraw/zinc/22/19/45/346221945.db2.gz JUWSAQQFALLHRC-AOOOYVTPSA-N 1 2 225.292 0.564 20 0 BCADLO CCN1CN(Cc2[nH]cc(C)[nH+]2)CC1=O ZINC000628251403 346222080 /nfs/dbraw/zinc/22/20/80/346222080.db2.gz FRMFHJMVGNNGJR-UHFFFAOYSA-N 1 2 208.265 0.340 20 0 BCADLO Cc1[nH]c(CN2CC[C@](F)(CO)C2)[nH+]c1C ZINC000628264944 346266078 /nfs/dbraw/zinc/26/60/78/346266078.db2.gz JOKCPYWOFJAVRE-LLVKDONJSA-N 1 2 227.283 0.933 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)CO)n1 ZINC000673855849 488310288 /nfs/dbraw/zinc/31/02/88/488310288.db2.gz GIQLHJDQVAOFQU-BDAKNGLRSA-N 1 2 243.307 0.837 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)CO)n1 ZINC000673855849 488310292 /nfs/dbraw/zinc/31/02/92/488310292.db2.gz GIQLHJDQVAOFQU-BDAKNGLRSA-N 1 2 243.307 0.837 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)CO)n1 ZINC000673855852 488310460 /nfs/dbraw/zinc/31/04/60/488310460.db2.gz GIQLHJDQVAOFQU-IUCAKERBSA-N 1 2 243.307 0.837 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)CO)n1 ZINC000673855852 488310462 /nfs/dbraw/zinc/31/04/62/488310462.db2.gz GIQLHJDQVAOFQU-IUCAKERBSA-N 1 2 243.307 0.837 20 0 BCADLO O=C(C1CC(=O)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000136701535 346281823 /nfs/dbraw/zinc/28/18/23/346281823.db2.gz ILNYVQGCTMIFCQ-NSHDSACASA-N 1 2 236.315 0.662 20 0 BCADLO O=C(C1CC(=O)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000136701535 346281824 /nfs/dbraw/zinc/28/18/24/346281824.db2.gz ILNYVQGCTMIFCQ-NSHDSACASA-N 1 2 236.315 0.662 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000531866891 323118383 /nfs/dbraw/zinc/11/83/83/323118383.db2.gz LGSOQUSBFAXPOQ-SNVBAGLBSA-N 1 2 224.304 0.376 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000531866891 323118384 /nfs/dbraw/zinc/11/83/84/323118384.db2.gz LGSOQUSBFAXPOQ-SNVBAGLBSA-N 1 2 224.304 0.376 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CO)CCF)[nH+]1 ZINC000636127891 346328954 /nfs/dbraw/zinc/32/89/54/346328954.db2.gz IINHQSPPRUMHNJ-SECBINFHSA-N 1 2 243.282 0.351 20 0 BCADLO COCc1cc(C[NH2+]C(COC)COC)no1 ZINC000641759036 362690446 /nfs/dbraw/zinc/69/04/46/362690446.db2.gz ZMVGWBFDTDYNEN-UHFFFAOYSA-N 1 2 244.291 0.572 20 0 BCADLO Cc1n[nH]cc1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000636069634 346310022 /nfs/dbraw/zinc/31/00/22/346310022.db2.gz VSRPOCKBVZBVIN-UHFFFAOYSA-N 1 2 247.302 0.951 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000636077790 346312535 /nfs/dbraw/zinc/31/25/35/346312535.db2.gz ZBYOHYCGBSPDDI-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000636102949 346320540 /nfs/dbraw/zinc/32/05/40/346320540.db2.gz ZSFBKDGIGHKNQX-ONGXEEELSA-N 1 2 237.303 0.475 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC000636109913 346322163 /nfs/dbraw/zinc/32/21/63/346322163.db2.gz JFXSOZPOINXQNI-WCBMZHEXSA-N 1 2 237.303 0.808 20 0 BCADLO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000336259539 187366410 /nfs/dbraw/zinc/36/64/10/187366410.db2.gz KKWDIFPQDOFYNB-MRVPVSSYSA-N 1 2 243.282 0.361 20 0 BCADLO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](F)C2)C1=O ZINC000336259539 187366412 /nfs/dbraw/zinc/36/64/12/187366412.db2.gz KKWDIFPQDOFYNB-MRVPVSSYSA-N 1 2 243.282 0.361 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000401168476 346368048 /nfs/dbraw/zinc/36/80/48/346368048.db2.gz MQIYTOYCZBQPEW-NSHDSACASA-N 1 2 225.288 0.971 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000401168476 346368050 /nfs/dbraw/zinc/36/80/50/346368050.db2.gz MQIYTOYCZBQPEW-NSHDSACASA-N 1 2 225.288 0.971 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336363951 187367499 /nfs/dbraw/zinc/36/74/99/187367499.db2.gz FEAUTQPPRZONJH-MRVPVSSYSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336363951 187367501 /nfs/dbraw/zinc/36/75/01/187367501.db2.gz FEAUTQPPRZONJH-MRVPVSSYSA-N 1 2 237.303 0.717 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636291043 346381154 /nfs/dbraw/zinc/38/11/54/346381154.db2.gz SABWSVDKDSPDEC-ZYUZMQFOSA-N 1 2 235.287 0.807 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636291043 346381156 /nfs/dbraw/zinc/38/11/56/346381156.db2.gz SABWSVDKDSPDEC-ZYUZMQFOSA-N 1 2 235.287 0.807 20 0 BCADLO Cc1c(NCc2[nH+]ccn2C)nnn1C ZINC000641781120 362721957 /nfs/dbraw/zinc/72/19/57/362721957.db2.gz SPDJOZZERJLPTM-UHFFFAOYSA-N 1 2 206.253 0.469 20 0 BCADLO Cc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000336553945 179072124 /nfs/dbraw/zinc/07/21/24/179072124.db2.gz KGRINPIKVVBALW-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccc(C[N@H+](C)[C@H]2CCNC2=O)n1 ZINC000336553945 179072126 /nfs/dbraw/zinc/07/21/26/179072126.db2.gz KGRINPIKVVBALW-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)C[C@@H](C(=O)NC1COC1)n1cc[nH+]c1 ZINC000636314594 346390385 /nfs/dbraw/zinc/39/03/85/346390385.db2.gz LLLKMGBKVHUGDG-NSHDSACASA-N 1 2 237.303 0.985 20 0 BCADLO CC(C)OC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000636322657 346393294 /nfs/dbraw/zinc/39/32/94/346393294.db2.gz ASBNFOAGVJPKGR-UHFFFAOYSA-N 1 2 237.303 0.598 20 0 BCADLO CC(C)OC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000636324271 346394398 /nfs/dbraw/zinc/39/43/98/346394398.db2.gz VNJYDSKSINASSX-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO Cc1cncc(NCC[NH+]2CCOCC2)n1 ZINC000200222913 346418723 /nfs/dbraw/zinc/41/87/23/346418723.db2.gz GTBTUBRMGWYZJR-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332598909 346420488 /nfs/dbraw/zinc/42/04/88/346420488.db2.gz ALMCHQZHBBABAS-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332598909 346420489 /nfs/dbraw/zinc/42/04/89/346420489.db2.gz ALMCHQZHBBABAS-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000332803720 346446142 /nfs/dbraw/zinc/44/61/42/346446142.db2.gz BQLDVENCHBBWMD-GWCFXTLKSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332769765 346436185 /nfs/dbraw/zinc/43/61/85/346436185.db2.gz BSXBOOYKJSDPAQ-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332769765 346436187 /nfs/dbraw/zinc/43/61/87/346436187.db2.gz BSXBOOYKJSDPAQ-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000332776932 346437948 /nfs/dbraw/zinc/43/79/48/346437948.db2.gz OWAJUDMEBUDEHQ-RNCFNFMXSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000332776932 346437949 /nfs/dbraw/zinc/43/79/49/346437949.db2.gz OWAJUDMEBUDEHQ-RNCFNFMXSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCCO1 ZINC000333027908 346468713 /nfs/dbraw/zinc/46/87/13/346468713.db2.gz KOTKNXNIMPCUSO-WDEREUQCSA-N 1 2 249.314 0.883 20 0 BCADLO CC[C@H](C[N@H+](CCOC)CC(=O)OC)OC ZINC000419209593 192103898 /nfs/dbraw/zinc/10/38/98/192103898.db2.gz SZVRHWVENHIHNX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CC[C@H](C[N@@H+](CCOC)CC(=O)OC)OC ZINC000419209593 192103900 /nfs/dbraw/zinc/10/39/00/192103900.db2.gz SZVRHWVENHIHNX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO NC(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186067728 346491086 /nfs/dbraw/zinc/49/10/86/346491086.db2.gz ADFNQZJCEFHWEZ-ZDUSSCGKSA-N 1 2 248.326 0.805 20 0 BCADLO NC(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186067728 346491087 /nfs/dbraw/zinc/49/10/87/346491087.db2.gz ADFNQZJCEFHWEZ-ZDUSSCGKSA-N 1 2 248.326 0.805 20 0 BCADLO COCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636447976 346569954 /nfs/dbraw/zinc/56/99/54/346569954.db2.gz QUWRJQKLNLWJBP-SECBINFHSA-N 1 2 238.291 0.144 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCOC1 ZINC000563564179 323130348 /nfs/dbraw/zinc/13/03/48/323130348.db2.gz GGZVHVKQDDKCRA-VIFPVBQESA-N 1 2 223.276 0.258 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000203580709 346640453 /nfs/dbraw/zinc/64/04/53/346640453.db2.gz XCNRUJRSQAQNJY-SNVBAGLBSA-N 1 2 242.319 0.193 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](O)[C@H](C)C1 ZINC000167921367 346721057 /nfs/dbraw/zinc/72/10/57/346721057.db2.gz ONNUSAXGOPJAEO-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](O)[C@H](C)C1 ZINC000167921367 346721061 /nfs/dbraw/zinc/72/10/61/346721061.db2.gz ONNUSAXGOPJAEO-SFYZADRCSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1cc(NC(=O)c2ccn(C)n2)cc[nH+]1 ZINC000589684526 346725858 /nfs/dbraw/zinc/72/58/58/346725858.db2.gz MTLGKKGGCIYJOO-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@H]1C ZINC000580210137 346676798 /nfs/dbraw/zinc/67/67/98/346676798.db2.gz LTHPOKOYGBHKEM-VHSXEESVSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@H]1C ZINC000580210137 346676800 /nfs/dbraw/zinc/67/68/00/346676800.db2.gz LTHPOKOYGBHKEM-VHSXEESVSA-N 1 2 237.303 0.836 20 0 BCADLO Cn1ccc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000589685943 346726843 /nfs/dbraw/zinc/72/68/43/346726843.db2.gz FGFRJLBZHFQWSR-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO CC(C)(C(=O)NCCOCCF)c1c[nH]c[nH+]1 ZINC000621092283 346693122 /nfs/dbraw/zinc/69/31/22/346693122.db2.gz KDYWGYHUTWMTMK-UHFFFAOYSA-N 1 2 243.282 0.790 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000580215841 346697908 /nfs/dbraw/zinc/69/79/08/346697908.db2.gz GDSQQNIXMNLPDU-LLVKDONJSA-N 1 2 234.303 0.808 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)C(C)C ZINC000590114048 346774008 /nfs/dbraw/zinc/77/40/08/346774008.db2.gz DOYURSQBJNOQGA-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)C(C)C ZINC000590114048 346774010 /nfs/dbraw/zinc/77/40/10/346774010.db2.gz DOYURSQBJNOQGA-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO CC(=O)NCCN(C)c1nc[nH+]c(N)c1Cl ZINC000308188782 323133632 /nfs/dbraw/zinc/13/36/32/323133632.db2.gz LWOUTPXIJVVLTE-UHFFFAOYSA-N 1 2 243.698 0.285 20 0 BCADLO CC(=O)NCCN(C)c1[nH+]cnc(N)c1Cl ZINC000308188782 323133633 /nfs/dbraw/zinc/13/36/33/323133633.db2.gz LWOUTPXIJVVLTE-UHFFFAOYSA-N 1 2 243.698 0.285 20 0 BCADLO COC[C@@]1(C)CN(Cc2[nH+]ccn2C)CCO1 ZINC000626173637 346738205 /nfs/dbraw/zinc/73/82/05/346738205.db2.gz ZMTQSYPTFXTWLU-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000345342698 365856008 /nfs/dbraw/zinc/85/60/08/365856008.db2.gz FVGNVFWQHWUGPV-SECBINFHSA-N 1 2 222.292 0.442 20 0 BCADLO Cn1ncnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842839 347110758 /nfs/dbraw/zinc/11/07/58/347110758.db2.gz GRDHYSDKTUGCFW-QMMMGPOBSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842839 347110761 /nfs/dbraw/zinc/11/07/61/347110761.db2.gz GRDHYSDKTUGCFW-QMMMGPOBSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccn(C)n1 ZINC000571158836 323136971 /nfs/dbraw/zinc/13/69/71/323136971.db2.gz XVDZZZMJWVOWTI-POYBYMJQSA-N 1 2 237.225 0.994 20 0 BCADLO OCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000053845568 347163040 /nfs/dbraw/zinc/16/30/40/347163040.db2.gz DRKWGCDJYKYCBB-UHFFFAOYSA-N 1 2 226.242 0.549 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC2(C1)CCOCC2 ZINC000580684313 365877821 /nfs/dbraw/zinc/87/78/21/365877821.db2.gz XGAQSTCRUSHSDT-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)C(=O)OC)[nH]1 ZINC000185188374 347193303 /nfs/dbraw/zinc/19/33/03/347193303.db2.gz YZMNDMXBVFYDTK-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)C(=O)OC)[nH]1 ZINC000185188374 347193306 /nfs/dbraw/zinc/19/33/06/347193306.db2.gz YZMNDMXBVFYDTK-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO COC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000641840779 362783877 /nfs/dbraw/zinc/78/38/77/362783877.db2.gz HGIVVTLGOAMHQU-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO COC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000641840779 362783884 /nfs/dbraw/zinc/78/38/84/362783884.db2.gz HGIVVTLGOAMHQU-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](CO)[C@H]2CCCO2)nc1 ZINC000447923452 229577835 /nfs/dbraw/zinc/57/78/35/229577835.db2.gz SJWBXGSKWDSBCP-WDEREUQCSA-N 1 2 237.303 0.415 20 0 BCADLO Cn1cc[nH+]c1CN1CCCC[C@]1(C)C(N)=O ZINC000185885531 347217868 /nfs/dbraw/zinc/21/78/68/347217868.db2.gz JATWPIZIUSCVRX-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185885531 347217870 /nfs/dbraw/zinc/21/78/70/347217870.db2.gz JATWPIZIUSCVRX-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccnc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185885531 347217872 /nfs/dbraw/zinc/21/78/72/347217872.db2.gz JATWPIZIUSCVRX-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000628313579 347242131 /nfs/dbraw/zinc/24/21/31/347242131.db2.gz SZHIMGKAQNOYBV-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000628313579 347242134 /nfs/dbraw/zinc/24/21/34/347242134.db2.gz SZHIMGKAQNOYBV-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@H]1CN(CC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246524092 537987961 /nfs/dbraw/zinc/98/79/61/537987961.db2.gz RMDNSJGBMRDWOV-VHSXEESVSA-N 1 2 234.290 0.904 20 0 BCADLO Cc1ncc(C[N@@H+]2CCOC[C@H](O)C2)o1 ZINC000628297663 347258259 /nfs/dbraw/zinc/25/82/59/347258259.db2.gz HHBKGKHAQHYIJK-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO Cc1ncc(C[N@H+]2CCOC[C@H](O)C2)o1 ZINC000628297663 347258264 /nfs/dbraw/zinc/25/82/64/347258264.db2.gz HHBKGKHAQHYIJK-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000188526525 347283204 /nfs/dbraw/zinc/28/32/04/347283204.db2.gz IFMKVQKVIWWTDV-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000188526525 347283205 /nfs/dbraw/zinc/28/32/05/347283205.db2.gz IFMKVQKVIWWTDV-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](O)C1 ZINC000189681496 347308257 /nfs/dbraw/zinc/30/82/57/347308257.db2.gz LXIPEYTZFJBEJL-ZETCQYMHSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC000189681496 347308261 /nfs/dbraw/zinc/30/82/61/347308261.db2.gz LXIPEYTZFJBEJL-ZETCQYMHSA-N 1 2 215.684 0.640 20 0 BCADLO CC(C)=CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000191804684 347360299 /nfs/dbraw/zinc/36/02/99/347360299.db2.gz FOOFJMURFNFAKQ-LBPRGKRZSA-N 1 2 239.363 0.705 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)n1cccn1 ZINC000616921188 347450373 /nfs/dbraw/zinc/45/03/73/347450373.db2.gz IXVCIJQDGDFBBC-UHFFFAOYSA-N 1 2 247.302 1.000 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)n1cccn1 ZINC000616921188 347450376 /nfs/dbraw/zinc/45/03/76/347450376.db2.gz IXVCIJQDGDFBBC-UHFFFAOYSA-N 1 2 247.302 1.000 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](O)C1CCC1 ZINC000616922162 347452455 /nfs/dbraw/zinc/45/24/55/347452455.db2.gz RDUYQEDZNKEFRO-SNVBAGLBSA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](O)C1CCC1 ZINC000616922162 347452458 /nfs/dbraw/zinc/45/24/58/347452458.db2.gz RDUYQEDZNKEFRO-SNVBAGLBSA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cn1ccccc1=O ZINC000616922777 347453440 /nfs/dbraw/zinc/45/34/40/347453440.db2.gz IZSJLUFWLKYGEH-UHFFFAOYSA-N 1 2 246.270 0.230 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cn1ccccc1=O ZINC000616922777 347453442 /nfs/dbraw/zinc/45/34/42/347453442.db2.gz IZSJLUFWLKYGEH-UHFFFAOYSA-N 1 2 246.270 0.230 20 0 BCADLO Cc1c(C(=O)N(C)Cc2c[nH+]c[nH]2)cnn1C ZINC000616922846 347453906 /nfs/dbraw/zinc/45/39/06/347453906.db2.gz MOAXMJIZSJXLAT-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1c(C(=O)N(C)Cc2c[nH]c[nH+]2)cnn1C ZINC000616922846 347453908 /nfs/dbraw/zinc/45/39/08/347453908.db2.gz MOAXMJIZSJXLAT-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CC(C)(O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396871957 362838495 /nfs/dbraw/zinc/83/84/95/362838495.db2.gz YEVBPCYURNEFGS-UHFFFAOYSA-N 1 2 209.249 0.065 20 0 BCADLO CC(C)(O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396871957 362838499 /nfs/dbraw/zinc/83/84/99/362838499.db2.gz YEVBPCYURNEFGS-UHFFFAOYSA-N 1 2 209.249 0.065 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000616927709 347456015 /nfs/dbraw/zinc/45/60/15/347456015.db2.gz OXWJWAJUHHXDPZ-RKDXNWHRSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000616927709 347456020 /nfs/dbraw/zinc/45/60/20/347456020.db2.gz OXWJWAJUHHXDPZ-RKDXNWHRSA-N 1 2 223.276 0.793 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC(C)(C)O ZINC000616927563 347456044 /nfs/dbraw/zinc/45/60/44/347456044.db2.gz LGWFMJOVKCDSOW-UHFFFAOYSA-N 1 2 211.265 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC(C)(C)O ZINC000616927563 347456046 /nfs/dbraw/zinc/45/60/46/347456046.db2.gz LGWFMJOVKCDSOW-UHFFFAOYSA-N 1 2 211.265 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC(C)(C)O ZINC000616927574 347456567 /nfs/dbraw/zinc/45/65/67/347456567.db2.gz LRLZLDBYOZCTHX-UHFFFAOYSA-N 1 2 225.292 0.919 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC(C)(C)O ZINC000616927574 347456568 /nfs/dbraw/zinc/45/65/68/347456568.db2.gz LRLZLDBYOZCTHX-UHFFFAOYSA-N 1 2 225.292 0.919 20 0 BCADLO CCN1CC[NH+](CCC(=O)OC)CC1 ZINC000020303508 347440621 /nfs/dbraw/zinc/44/06/21/347440621.db2.gz HNYLRXURJGEHCT-UHFFFAOYSA-N 1 2 200.282 0.187 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)C[C@@H]1COCCO1 ZINC000590710770 347498899 /nfs/dbraw/zinc/49/88/99/347498899.db2.gz MQPPTLZDHRPQJC-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)C[C@@H]1COCCO1 ZINC000590710770 347498900 /nfs/dbraw/zinc/49/89/00/347498900.db2.gz MQPPTLZDHRPQJC-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@](=O)CC)C[C@H]1C ZINC000590684828 347490747 /nfs/dbraw/zinc/49/07/47/347490747.db2.gz YPXGANOJYPLKSN-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@](=O)CC)C[C@H]1C ZINC000590684828 347490752 /nfs/dbraw/zinc/49/07/52/347490752.db2.gz YPXGANOJYPLKSN-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)[C@@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928795 347495603 /nfs/dbraw/zinc/49/56/03/347495603.db2.gz MPNZJMGMKHFDCZ-SECBINFHSA-N 1 2 211.265 0.385 20 0 BCADLO CC(C)[C@@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928795 347495607 /nfs/dbraw/zinc/49/56/07/347495607.db2.gz MPNZJMGMKHFDCZ-SECBINFHSA-N 1 2 211.265 0.385 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCCO1 ZINC000616926404 347458099 /nfs/dbraw/zinc/45/80/99/347458099.db2.gz AOWUYRCSWQXWRO-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCCO1 ZINC000616926404 347458101 /nfs/dbraw/zinc/45/81/01/347458101.db2.gz AOWUYRCSWQXWRO-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COCCCOCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926912 347460044 /nfs/dbraw/zinc/46/00/44/347460044.db2.gz VDNVYWBXGZAZGG-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCCCOCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926912 347460048 /nfs/dbraw/zinc/46/00/48/347460048.db2.gz VDNVYWBXGZAZGG-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)CO ZINC000616927226 347460534 /nfs/dbraw/zinc/46/05/34/347460534.db2.gz DOALXUSJEAIONM-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)CO ZINC000616927226 347460536 /nfs/dbraw/zinc/46/05/36/347460536.db2.gz DOALXUSJEAIONM-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO CC(C)(CC(N)=O)[NH2+]Cc1nnsc1Cl ZINC000380099535 365879726 /nfs/dbraw/zinc/87/97/26/365879726.db2.gz LHGNXYULHJVQLY-UHFFFAOYSA-N 1 2 248.739 0.935 20 0 BCADLO CSCC[C@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000590565087 347469686 /nfs/dbraw/zinc/46/96/86/347469686.db2.gz MGHKIFMAJMVOCN-SFYZADRCSA-N 1 2 243.332 0.701 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590602289 347475785 /nfs/dbraw/zinc/47/57/85/347475785.db2.gz VBWDOUDIFKECRM-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOC(=O)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000590602289 347475786 /nfs/dbraw/zinc/47/57/86/347475786.db2.gz VBWDOUDIFKECRM-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000590601169 347475808 /nfs/dbraw/zinc/47/58/08/347475808.db2.gz RAZOPMGLEBOQAK-ZETCQYMHSA-N 1 2 209.249 0.329 20 0 BCADLO CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590855466 347575282 /nfs/dbraw/zinc/57/52/82/347575282.db2.gz YZEXZUDGXIIFOW-VIFPVBQESA-N 1 2 208.265 0.859 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000617011368 347581182 /nfs/dbraw/zinc/58/11/82/347581182.db2.gz CSDPZDGNFAEIHI-QMMMGPOBSA-N 1 2 237.307 0.407 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000617011368 347581183 /nfs/dbraw/zinc/58/11/83/347581183.db2.gz CSDPZDGNFAEIHI-QMMMGPOBSA-N 1 2 237.307 0.407 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590952603 347593957 /nfs/dbraw/zinc/59/39/57/347593957.db2.gz IUGIEXQFLXGBRB-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590952603 347593960 /nfs/dbraw/zinc/59/39/60/347593960.db2.gz IUGIEXQFLXGBRB-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@@H](C)O ZINC000590953933 347594022 /nfs/dbraw/zinc/59/40/22/347594022.db2.gz QHWWDLRFQNMTIV-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@@H](C)O ZINC000590953933 347594025 /nfs/dbraw/zinc/59/40/25/347594025.db2.gz QHWWDLRFQNMTIV-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO O=C(c1cc[nH]n1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047052 347615539 /nfs/dbraw/zinc/61/55/39/347615539.db2.gz IWGBLBLUXWWLHY-UHFFFAOYSA-N 1 2 244.254 0.708 20 0 BCADLO O=C(c1ccn[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047052 347615544 /nfs/dbraw/zinc/61/55/44/347615544.db2.gz IWGBLBLUXWWLHY-UHFFFAOYSA-N 1 2 244.254 0.708 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591227093 347634747 /nfs/dbraw/zinc/63/47/47/347634747.db2.gz GEJZCHSNJPKXJA-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591227093 347634749 /nfs/dbraw/zinc/63/47/49/347634749.db2.gz GEJZCHSNJPKXJA-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO CC(=O)c1ccc(C(=O)NCC[NH+]2CCC2)[nH]1 ZINC000343452237 133684267 /nfs/dbraw/zinc/68/42/67/133684267.db2.gz RORQOHVZFSAXSE-UHFFFAOYSA-N 1 2 235.287 0.653 20 0 BCADLO O=C(NCc1ccoc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636642352 347642967 /nfs/dbraw/zinc/64/29/67/347642967.db2.gz PSQNHJBNURGZLO-SNVBAGLBSA-N 1 2 246.270 0.900 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000636644418 347646746 /nfs/dbraw/zinc/64/67/46/347646746.db2.gz UFUQRXFCJHECAH-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000636644418 347646748 /nfs/dbraw/zinc/64/67/48/347646748.db2.gz UFUQRXFCJHECAH-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)OC ZINC000591019882 347610470 /nfs/dbraw/zinc/61/04/70/347610470.db2.gz LRVAPQISIVXVMC-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)OC ZINC000591019882 347610471 /nfs/dbraw/zinc/61/04/71/347610471.db2.gz LRVAPQISIVXVMC-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO CSC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC000591740230 347694810 /nfs/dbraw/zinc/69/48/10/347694810.db2.gz XVTBKLZTZVXSRG-SSDOTTSWSA-N 1 2 217.294 0.192 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cn[nH]c2)C1 ZINC000591839625 347703989 /nfs/dbraw/zinc/70/39/89/347703989.db2.gz ZPJYAFBUHVQVIA-UHFFFAOYSA-N 1 2 209.249 0.405 20 0 BCADLO Cc1nnc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000591888789 347711930 /nfs/dbraw/zinc/71/19/30/347711930.db2.gz SJIVJYWXPXBXDA-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nnc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000591888789 347711932 /nfs/dbraw/zinc/71/19/32/347711932.db2.gz SJIVJYWXPXBXDA-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000591471581 347667616 /nfs/dbraw/zinc/66/76/16/347667616.db2.gz ZQSCBRHBWPFSTF-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000591471581 347667620 /nfs/dbraw/zinc/66/76/20/347667620.db2.gz ZQSCBRHBWPFSTF-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)CN(c2cccc[nH+]2)C1 ZINC000592001671 347722494 /nfs/dbraw/zinc/72/24/94/347722494.db2.gz BBQQMJWWTHHQQY-VHSXEESVSA-N 1 2 236.271 0.442 20 0 BCADLO C[S@](=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493357875 347747531 /nfs/dbraw/zinc/74/75/31/347747531.db2.gz SSJFDQVPXCPPKY-QGZUEGPWSA-N 1 2 241.316 0.308 20 0 BCADLO Cc1cnc(C[NH2+]C(C)(C)C(=O)N(C)C)nc1 ZINC000534841282 323161112 /nfs/dbraw/zinc/16/11/12/323161112.db2.gz UCPKEVIWZSHYOT-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679677487 488363760 /nfs/dbraw/zinc/36/37/60/488363760.db2.gz ARSXPAZQMHHTNB-LURJTMIESA-N 1 2 208.208 0.175 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679677487 488363762 /nfs/dbraw/zinc/36/37/62/488363762.db2.gz ARSXPAZQMHHTNB-LURJTMIESA-N 1 2 208.208 0.175 20 0 BCADLO COC(=O)C[N@H+](CCc1cncc(C)n1)C1CC1 ZINC000593015359 347844512 /nfs/dbraw/zinc/84/45/12/347844512.db2.gz UKAUZABKVASNQQ-UHFFFAOYSA-N 1 2 249.314 0.965 20 0 BCADLO COC(=O)C[N@@H+](CCc1cncc(C)n1)C1CC1 ZINC000593015359 347844514 /nfs/dbraw/zinc/84/45/14/347844514.db2.gz UKAUZABKVASNQQ-UHFFFAOYSA-N 1 2 249.314 0.965 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014243 347844770 /nfs/dbraw/zinc/84/47/70/347844770.db2.gz XPEPVONLUVMHLY-SJBBUJNXSA-N 1 2 244.360 0.106 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014243 347844772 /nfs/dbraw/zinc/84/47/72/347844772.db2.gz XPEPVONLUVMHLY-SJBBUJNXSA-N 1 2 244.360 0.106 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593016660 347844959 /nfs/dbraw/zinc/84/49/59/347844959.db2.gz VGUYCJWQHCVOFL-QMMMGPOBSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593016660 347844962 /nfs/dbraw/zinc/84/49/62/347844962.db2.gz VGUYCJWQHCVOFL-QMMMGPOBSA-N 1 2 228.292 0.148 20 0 BCADLO CCc1noc(C[NH2+]C2(CC(=O)OC)CC2)n1 ZINC000593059311 347848917 /nfs/dbraw/zinc/84/89/17/347848917.db2.gz NULBYYGUADWMNX-UHFFFAOYSA-N 1 2 239.275 0.817 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)OC(C)(C)C ZINC000593061996 347849167 /nfs/dbraw/zinc/84/91/67/347849167.db2.gz WLBJSVDWRGRESZ-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)OC(C)(C)C ZINC000593061996 347849169 /nfs/dbraw/zinc/84/91/69/347849169.db2.gz WLBJSVDWRGRESZ-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076368 347850878 /nfs/dbraw/zinc/85/08/78/347850878.db2.gz ADPGBFJNSJQVNM-UHFFFAOYSA-N 1 2 238.291 0.163 20 0 BCADLO CS[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000593734470 347938779 /nfs/dbraw/zinc/93/87/79/347938779.db2.gz JFXKIWOJDKZVCE-VIFPVBQESA-N 1 2 225.317 0.847 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000401798585 347909890 /nfs/dbraw/zinc/90/98/90/347909890.db2.gz KZIKIAJLHXCYIA-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOCC1CCC1 ZINC000419274468 192111077 /nfs/dbraw/zinc/11/10/77/192111077.db2.gz RIYUPINFSGVKIY-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOCC1CCC1 ZINC000419274468 192111078 /nfs/dbraw/zinc/11/10/78/192111078.db2.gz RIYUPINFSGVKIY-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)CF ZINC000577407579 365948794 /nfs/dbraw/zinc/94/87/94/365948794.db2.gz SDDLSHXJYJOEHP-UHFFFAOYSA-N 1 2 213.256 0.827 20 0 BCADLO COC(=O)[C@@H](CCF)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000593804358 347948924 /nfs/dbraw/zinc/94/89/24/347948924.db2.gz RKXQCDURYWWVLR-SSDOTTSWSA-N 1 2 243.238 0.349 20 0 BCADLO C[C@@H](CNc1cccc[nH+]1)S(C)(=O)=O ZINC000306325596 323172776 /nfs/dbraw/zinc/17/27/76/323172776.db2.gz LRAVUFGDYQSXTC-QMMMGPOBSA-N 1 2 214.290 0.927 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000333522641 537995841 /nfs/dbraw/zinc/99/58/41/537995841.db2.gz WHAKJFPWEARHCD-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000333522641 537995847 /nfs/dbraw/zinc/99/58/47/537995847.db2.gz WHAKJFPWEARHCD-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO O=C(c1cn[nH]c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178692 348021032 /nfs/dbraw/zinc/02/10/32/348021032.db2.gz GWFQNCIGCJEZOJ-UHFFFAOYSA-N 1 2 244.254 0.708 20 0 BCADLO CC[C@@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000594551736 348068247 /nfs/dbraw/zinc/06/82/47/348068247.db2.gz CWXHBGDNMONCPY-SECBINFHSA-N 1 2 215.293 0.954 20 0 BCADLO CCOC(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000594640099 348097204 /nfs/dbraw/zinc/09/72/04/348097204.db2.gz HRHOCFFYOYOQQV-UHFFFAOYSA-N 1 2 235.247 0.086 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC(F)(F)CO ZINC000594947122 348146093 /nfs/dbraw/zinc/14/60/93/348146093.db2.gz SQSIVFIQQCXINC-GJMOJQLCSA-N 1 2 237.246 0.401 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616207544 348153865 /nfs/dbraw/zinc/15/38/65/348153865.db2.gz DYQOCWUHLHSCEK-WCBMZHEXSA-N 1 2 207.277 0.735 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595319939 348225860 /nfs/dbraw/zinc/22/58/60/348225860.db2.gz UKASDTMVBUXHOT-ZYHUDNBSSA-N 1 2 247.335 0.969 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cn(C)c[nH+]1 ZINC000595323576 348226533 /nfs/dbraw/zinc/22/65/33/348226533.db2.gz ZKSJANPVKYOFHK-LSYCYVAJSA-N 1 2 241.360 0.761 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000093190704 179379497 /nfs/dbraw/zinc/37/94/97/179379497.db2.gz RTRBRICREMCJOC-NWDGAFQWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000093190704 179379501 /nfs/dbraw/zinc/37/95/01/179379501.db2.gz RTRBRICREMCJOC-NWDGAFQWSA-N 1 2 236.315 0.972 20 0 BCADLO CSCCCNC(=O)NCc1c[nH+]cn1C ZINC000290805977 348250428 /nfs/dbraw/zinc/25/04/28/348250428.db2.gz VGISGXFEQBOZTP-UHFFFAOYSA-N 1 2 242.348 0.972 20 0 BCADLO CC[C@H](C)[N@H+](CCc1c[nH]nn1)CC(=O)OC ZINC000595476566 348251308 /nfs/dbraw/zinc/25/13/08/348251308.db2.gz RRCJPOOKFVQSAP-VIFPVBQESA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@H](C)[N@@H+](CCc1c[nH]nn1)CC(=O)OC ZINC000595476566 348251311 /nfs/dbraw/zinc/25/13/11/348251311.db2.gz RRCJPOOKFVQSAP-VIFPVBQESA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@H](C)[N@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000595476566 348251314 /nfs/dbraw/zinc/25/13/14/348251314.db2.gz RRCJPOOKFVQSAP-VIFPVBQESA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@H](C)[N@@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000595476566 348251317 /nfs/dbraw/zinc/25/13/17/348251317.db2.gz RRCJPOOKFVQSAP-VIFPVBQESA-N 1 2 240.307 0.621 20 0 BCADLO CC[C@@H](C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000419238883 192113792 /nfs/dbraw/zinc/11/37/92/192113792.db2.gz HTLFNFWOFPGPEL-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO CC[C@@H](C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000419238883 192113793 /nfs/dbraw/zinc/11/37/93/192113793.db2.gz HTLFNFWOFPGPEL-QMMMGPOBSA-N 1 2 226.280 0.224 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1[C@H](C)C[C@@H]1C ZINC000595468042 348258607 /nfs/dbraw/zinc/25/86/07/348258607.db2.gz IJPFVAOUYIYZFD-AEJSXWLSSA-N 1 2 243.303 0.964 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000595468042 348258610 /nfs/dbraw/zinc/25/86/10/348258610.db2.gz IJPFVAOUYIYZFD-AEJSXWLSSA-N 1 2 243.303 0.964 20 0 BCADLO COC[C@@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000595347736 348236077 /nfs/dbraw/zinc/23/60/77/348236077.db2.gz WJSWHECJHBWWFM-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000595347736 348236079 /nfs/dbraw/zinc/23/60/79/348236079.db2.gz WJSWHECJHBWWFM-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000595347734 348236538 /nfs/dbraw/zinc/23/65/38/348236538.db2.gz WJSWHECJHBWWFM-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000595347734 348236541 /nfs/dbraw/zinc/23/65/41/348236541.db2.gz WJSWHECJHBWWFM-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C[NH2+]C1(C(=O)OC)CCCC1)OC ZINC000595394085 348237545 /nfs/dbraw/zinc/23/75/45/348237545.db2.gz VTSLZNKCJASUOS-SNVBAGLBSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)C1(C[N@H+](C)Cc2n[nH]c(=O)o2)CC1 ZINC000595547004 348268049 /nfs/dbraw/zinc/26/80/49/348268049.db2.gz KVYFXGCSWNIUEX-UHFFFAOYSA-N 1 2 241.247 0.160 20 0 BCADLO COC(=O)C1(C[N@@H+](C)Cc2n[nH]c(=O)o2)CC1 ZINC000595547004 348268050 /nfs/dbraw/zinc/26/80/50/348268050.db2.gz KVYFXGCSWNIUEX-UHFFFAOYSA-N 1 2 241.247 0.160 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCC1 ZINC000595526098 348271254 /nfs/dbraw/zinc/27/12/54/348271254.db2.gz HIZNHPUQPWKXRX-JTQLQIEISA-N 1 2 201.266 0.300 20 0 BCADLO COCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595526663 348271314 /nfs/dbraw/zinc/27/13/14/348271314.db2.gz KSMUBBRLSUIMFU-LLVKDONJSA-N 1 2 233.308 0.317 20 0 BCADLO CC[C@](COC)([NH2+]CC1(C)COC1)C(=O)OC ZINC000595530886 348273178 /nfs/dbraw/zinc/27/31/78/348273178.db2.gz VORPOYQSKWHZOH-GFCCVEGCSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1CCOCC1 ZINC000595531736 348273798 /nfs/dbraw/zinc/27/37/98/348273798.db2.gz KCAMACRGOYGOKG-GFCCVEGCSA-N 1 2 245.319 0.317 20 0 BCADLO CC/C=C\CC[NH2+][C@](C)(CO)C(=O)OC ZINC000595532494 348274579 /nfs/dbraw/zinc/27/45/79/348274579.db2.gz SDYGJLRPQKDGBC-ISALQUGTSA-N 1 2 215.293 0.856 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@@H]1CCOC1 ZINC000595532774 348274755 /nfs/dbraw/zinc/27/47/55/348274755.db2.gz BKQHPEJZONDTNY-ZYHUDNBSSA-N 1 2 245.319 0.317 20 0 BCADLO CCOC1CC(C[NH2+][C@](C)(CO)C(=O)OC)C1 ZINC000595533303 348275138 /nfs/dbraw/zinc/27/51/38/348275138.db2.gz XSKQKVOKLDGKPP-RTYFJBAXSA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1c[nH]cn1 ZINC000595592170 348277755 /nfs/dbraw/zinc/27/77/55/348277755.db2.gz MMEUWUXBRNXCIN-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000595592170 348277757 /nfs/dbraw/zinc/27/77/57/348277757.db2.gz MMEUWUXBRNXCIN-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595592170 348277758 /nfs/dbraw/zinc/27/77/58/348277758.db2.gz MMEUWUXBRNXCIN-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595592170 348277759 /nfs/dbraw/zinc/27/77/59/348277759.db2.gz MMEUWUXBRNXCIN-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000595565045 348282868 /nfs/dbraw/zinc/28/28/68/348282868.db2.gz YQWSFIDPNZRJRT-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO CCN1OC[C@@H]([N@H+](CC)CCSC)C1=O ZINC000595570539 348284344 /nfs/dbraw/zinc/28/43/44/348284344.db2.gz WTQZANTZAWCBMX-SECBINFHSA-N 1 2 232.349 0.834 20 0 BCADLO CCN1OC[C@@H]([N@@H+](CC)CCSC)C1=O ZINC000595570539 348284345 /nfs/dbraw/zinc/28/43/45/348284345.db2.gz WTQZANTZAWCBMX-SECBINFHSA-N 1 2 232.349 0.834 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CCC2)CC(=O)N1 ZINC000419288461 192117965 /nfs/dbraw/zinc/11/79/65/192117965.db2.gz PSPZPNZHOJXRAG-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CCC2)CC(=O)N1 ZINC000419288461 192117966 /nfs/dbraw/zinc/11/79/66/192117966.db2.gz PSPZPNZHOJXRAG-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CNC(=O)NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000595667697 348301860 /nfs/dbraw/zinc/30/18/60/348301860.db2.gz IBSZQGUEGVFORA-ZCFIWIBFSA-N 1 2 242.304 0.249 20 0 BCADLO CC[C@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770395 348335605 /nfs/dbraw/zinc/33/56/05/348335605.db2.gz RZEMXKBRKFIGKW-WPRPVWTQSA-N 1 2 221.272 0.638 20 0 BCADLO COCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770373 348335807 /nfs/dbraw/zinc/33/58/07/348335807.db2.gz RJXNTCMUZJUTQY-SNVBAGLBSA-N 1 2 221.272 0.904 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CC1(C)COC1 ZINC000595771594 348336514 /nfs/dbraw/zinc/33/65/14/348336514.db2.gz ZKTYTUKTBLOGFM-LLVKDONJSA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CC1(C)COC1 ZINC000595771595 348336766 /nfs/dbraw/zinc/33/67/66/348336766.db2.gz ZKTYTUKTBLOGFM-NSHDSACASA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)C(C)C ZINC000595775086 348338078 /nfs/dbraw/zinc/33/80/78/348338078.db2.gz LWEBKFLZUPIQCV-ONGXEEELSA-N 1 2 235.299 0.884 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)C(C)C ZINC000595775085 348338110 /nfs/dbraw/zinc/33/81/10/348338110.db2.gz LWEBKFLZUPIQCV-MWLCHTKSSA-N 1 2 235.299 0.884 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595782612 348345096 /nfs/dbraw/zinc/34/50/96/348345096.db2.gz PJCMQSXPTCCVBB-CIUDSAMLSA-N 1 2 213.277 0.441 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCn2ccccc2=O)n1 ZINC000603509316 349984979 /nfs/dbraw/zinc/98/49/79/349984979.db2.gz ZFVHVDAPXRJFTK-VIFPVBQESA-N 1 2 248.286 0.891 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2C)C1 ZINC000595848118 348355152 /nfs/dbraw/zinc/35/51/52/348355152.db2.gz MUOKMHKUKJIFCT-DTORHVGOSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2C)C1 ZINC000595848118 348355155 /nfs/dbraw/zinc/35/51/55/348355155.db2.gz MUOKMHKUKJIFCT-DTORHVGOSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nccn2C)C1 ZINC000595850385 348355955 /nfs/dbraw/zinc/35/59/55/348355955.db2.gz ZHVPOPGRSHRLCU-AOOOYVTPSA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nccn2C)C1 ZINC000595850385 348355959 /nfs/dbraw/zinc/35/59/59/348355959.db2.gz ZHVPOPGRSHRLCU-AOOOYVTPSA-N 1 2 237.303 0.804 20 0 BCADLO COCCN(C)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596084104 348431798 /nfs/dbraw/zinc/43/17/98/348431798.db2.gz HOOLQOVYVWMJJJ-UHFFFAOYSA-N 1 2 238.287 0.880 20 0 BCADLO COC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597216 348589467 /nfs/dbraw/zinc/58/94/67/348589467.db2.gz LVXPTGVINKSAFH-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO COC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597216 348589469 /nfs/dbraw/zinc/58/94/69/348589469.db2.gz LVXPTGVINKSAFH-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO CSCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596661474 348601051 /nfs/dbraw/zinc/60/10/51/348601051.db2.gz JPOGCYHJYMACTC-QMMMGPOBSA-N 1 2 239.344 0.994 20 0 BCADLO CSCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596661474 348601054 /nfs/dbraw/zinc/60/10/54/348601054.db2.gz JPOGCYHJYMACTC-QMMMGPOBSA-N 1 2 239.344 0.994 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000597155868 348666223 /nfs/dbraw/zinc/66/62/23/348666223.db2.gz ADXBLPZSBQPXKY-UHFFFAOYSA-N 1 2 249.314 0.824 20 0 BCADLO C[N@H+](CCCO)Cc1nc2ccccc2c(=O)[nH]1 ZINC000198420224 348732988 /nfs/dbraw/zinc/73/29/88/348732988.db2.gz RYDJGZGLVQZNQG-UHFFFAOYSA-N 1 2 247.298 0.737 20 0 BCADLO C[N@@H+](CCCO)Cc1nc2ccccc2c(=O)[nH]1 ZINC000198420224 348732991 /nfs/dbraw/zinc/73/29/91/348732991.db2.gz RYDJGZGLVQZNQG-UHFFFAOYSA-N 1 2 247.298 0.737 20 0 BCADLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000597242499 348686742 /nfs/dbraw/zinc/68/67/42/348686742.db2.gz NLIQXKFJSWENCS-XWEPSHTISA-N 1 2 209.249 0.451 20 0 BCADLO CCOC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000528718750 323195397 /nfs/dbraw/zinc/19/53/97/323195397.db2.gz HXOUNAAGTKNZFF-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC12CC2 ZINC000421747149 192378922 /nfs/dbraw/zinc/37/89/22/192378922.db2.gz BFGHMWPGZZWCKC-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000308895455 349055509 /nfs/dbraw/zinc/05/55/09/349055509.db2.gz ZDKOSWIINCEGMI-KWQFWETISA-N 1 2 215.293 0.953 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000598674640 349019587 /nfs/dbraw/zinc/01/95/87/349019587.db2.gz RQRVKCRZPIWXMY-XQJJYNOISA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000598674640 349019591 /nfs/dbraw/zinc/01/95/91/349019591.db2.gz RQRVKCRZPIWXMY-XQJJYNOISA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000598674724 349019641 /nfs/dbraw/zinc/01/96/41/349019641.db2.gz SBKFMSRFJADYDT-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000598674724 349019643 /nfs/dbraw/zinc/01/96/43/349019643.db2.gz SBKFMSRFJADYDT-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO CSCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598951168 349071653 /nfs/dbraw/zinc/07/16/53/349071653.db2.gz XWDGCPWJOZLCBC-QMMMGPOBSA-N 1 2 225.317 0.677 20 0 BCADLO Cc1ncc(C[NH2+]CC(=O)NCC2CC2)o1 ZINC000397905767 362938269 /nfs/dbraw/zinc/93/82/69/362938269.db2.gz DXMMAYOWOCWFLU-UHFFFAOYSA-N 1 2 223.276 0.599 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000248742835 349148110 /nfs/dbraw/zinc/14/81/10/349148110.db2.gz AKHVGQWXBMRBRV-PWSUYJOCSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000248742835 349148112 /nfs/dbraw/zinc/14/81/12/349148112.db2.gz AKHVGQWXBMRBRV-PWSUYJOCSA-N 1 2 237.303 0.565 20 0 BCADLO COCC[C@@H](C)[N@H+](C)Cc1nnnn1C ZINC000341554761 538029489 /nfs/dbraw/zinc/02/94/89/538029489.db2.gz KNKOCEFAQKUJLH-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO COCC[C@@H](C)[N@@H+](C)Cc1nnnn1C ZINC000341554761 538029497 /nfs/dbraw/zinc/02/94/97/538029497.db2.gz KNKOCEFAQKUJLH-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO COC(=O)c1cnc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000599434023 349174274 /nfs/dbraw/zinc/17/42/74/349174274.db2.gz PBPULOGNJIQGKX-QMMMGPOBSA-N 1 2 239.250 0.807 20 0 BCADLO COC(=O)c1cnc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000599434023 349174275 /nfs/dbraw/zinc/17/42/75/349174275.db2.gz PBPULOGNJIQGKX-QMMMGPOBSA-N 1 2 239.250 0.807 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccon2)C1 ZINC000599557590 349217106 /nfs/dbraw/zinc/21/71/06/349217106.db2.gz AMTYCTFAPLVVRJ-NSHDSACASA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccon2)C1 ZINC000599557590 349217111 /nfs/dbraw/zinc/21/71/11/349217111.db2.gz AMTYCTFAPLVVRJ-NSHDSACASA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCn1ccccc1=O ZINC000599575034 349225573 /nfs/dbraw/zinc/22/55/73/349225573.db2.gz VOMZKMJWWJZPGK-JTQLQIEISA-N 1 2 238.287 0.342 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCn1ccccc1=O ZINC000599575034 349225577 /nfs/dbraw/zinc/22/55/77/349225577.db2.gz VOMZKMJWWJZPGK-JTQLQIEISA-N 1 2 238.287 0.342 20 0 BCADLO CC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599578010 349225651 /nfs/dbraw/zinc/22/56/51/349225651.db2.gz CROAJCCYVWBONW-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599578010 349225654 /nfs/dbraw/zinc/22/56/54/349225654.db2.gz CROAJCCYVWBONW-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO Cc1[nH]c(CN2CCO[C@@H]([C@H](C)O)C2)[nH+]c1C ZINC000628313669 349260383 /nfs/dbraw/zinc/26/03/83/349260383.db2.gz XIYAARFBRSAENX-WDEREUQCSA-N 1 2 239.319 0.608 20 0 BCADLO COC(=O)c1cncnc1-n1cc[nH+]c1 ZINC000300802941 349333499 /nfs/dbraw/zinc/33/34/99/349333499.db2.gz BACPEGRFYMNXSB-UHFFFAOYSA-N 1 2 204.189 0.449 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCCC[C@H]2CCO)[nH]1 ZINC000342047956 538042131 /nfs/dbraw/zinc/04/21/31/538042131.db2.gz MWYTVSWHCJDNEN-VIFPVBQESA-N 1 2 240.307 0.637 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCCC[C@H]2CCO)[nH]1 ZINC000342047956 538042139 /nfs/dbraw/zinc/04/21/39/538042139.db2.gz MWYTVSWHCJDNEN-VIFPVBQESA-N 1 2 240.307 0.637 20 0 BCADLO CSCCC(=O)NCc1c[nH+]cn1C ZINC000290945191 349383670 /nfs/dbraw/zinc/38/36/70/349383670.db2.gz ANYDRBAPCLZPMR-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(OC)no2)CC1 ZINC000090706633 191002195 /nfs/dbraw/zinc/00/21/95/191002195.db2.gz CEROEWWIEGKXLG-UHFFFAOYSA-N 1 2 239.275 0.461 20 0 BCADLO O=C(COCC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000603813586 350037469 /nfs/dbraw/zinc/03/74/69/350037469.db2.gz NISGZWNWEJEMIW-UHFFFAOYSA-N 1 2 235.287 0.693 20 0 BCADLO CCOC(=O)C1CC[NH+](CC(C)=O)CC1 ZINC000603824712 350040942 /nfs/dbraw/zinc/04/09/42/350040942.db2.gz VZKRDMYTXZQIPE-UHFFFAOYSA-N 1 2 213.277 0.851 20 0 BCADLO C[C@H](CNC(=O)N[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000076057548 191006300 /nfs/dbraw/zinc/00/63/00/191006300.db2.gz GAEGFFIQLWMJHY-MXWKQRLJSA-N 1 2 241.335 0.415 20 0 BCADLO Cn1ncc2c1nc(N[C@H]1C[C@@](C)(O)C1)[nH+]c2N ZINC000670880140 538049560 /nfs/dbraw/zinc/04/95/60/538049560.db2.gz YPQSPIKYASZYDF-JCJUMFQOSA-N 1 2 248.290 0.271 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000342411261 538047829 /nfs/dbraw/zinc/04/78/29/538047829.db2.gz HXRYWRBEVBUICN-TUAOUCFPSA-N 1 2 240.347 0.822 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000342411261 538047839 /nfs/dbraw/zinc/04/78/39/538047839.db2.gz HXRYWRBEVBUICN-TUAOUCFPSA-N 1 2 240.347 0.822 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000603911665 350050203 /nfs/dbraw/zinc/05/02/03/350050203.db2.gz ZTSYOEGKQASWNP-VIFPVBQESA-N 1 2 249.314 0.919 20 0 BCADLO O=C(c1cn[nH]c1)N1CC(n2cc[nH+]c2)C1 ZINC000603916997 350056084 /nfs/dbraw/zinc/05/60/84/350056084.db2.gz WESRDPUGCRYQAJ-UHFFFAOYSA-N 1 2 217.232 0.303 20 0 BCADLO CCOC(=O)CCC(=O)NCc1c[nH+]cn1C ZINC000291532144 350065171 /nfs/dbraw/zinc/06/51/71/350065171.db2.gz WFMWWCHCWJQZAP-UHFFFAOYSA-N 1 2 239.275 0.380 20 0 BCADLO O[C@H](COC[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000302957894 350101270 /nfs/dbraw/zinc/10/12/70/350101270.db2.gz CHVZQBJGGTYWFL-WDEREUQCSA-N 1 2 226.276 0.440 20 0 BCADLO O[C@@H](COC[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000302957887 350101610 /nfs/dbraw/zinc/10/16/10/350101610.db2.gz CHVZQBJGGTYWFL-GHMZBOCLSA-N 1 2 226.276 0.440 20 0 BCADLO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1C ZINC000604327210 350102957 /nfs/dbraw/zinc/10/29/57/350102957.db2.gz VEWHOUVJSSIWRL-JTQLQIEISA-N 1 2 236.319 0.851 20 0 BCADLO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1C ZINC000604327210 350102958 /nfs/dbraw/zinc/10/29/58/350102958.db2.gz VEWHOUVJSSIWRL-JTQLQIEISA-N 1 2 236.319 0.851 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000621251466 350108348 /nfs/dbraw/zinc/10/83/48/350108348.db2.gz WEGHDVKUZZAGIP-VIFPVBQESA-N 1 2 246.332 0.822 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000621251466 350108349 /nfs/dbraw/zinc/10/83/49/350108349.db2.gz WEGHDVKUZZAGIP-VIFPVBQESA-N 1 2 246.332 0.822 20 0 BCADLO Cc1n[nH]c(NC(=O)C=CC[NH+](C)C)n1 ZINC000265675053 180004756 /nfs/dbraw/zinc/00/47/56/180004756.db2.gz IFRBXBKPMQPCCH-SNAWJCMRSA-N 1 2 209.253 0.169 20 0 BCADLO Cc1nc(NC(=O)Cc2[nH]c[nH+]c2C)n[nH]1 ZINC000279507376 180008670 /nfs/dbraw/zinc/00/86/70/180008670.db2.gz TZHYSBXXUIPXJD-UHFFFAOYSA-N 1 2 220.236 0.326 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCCc3[nH+]ccn32)n[nH]1 ZINC000377913160 180011789 /nfs/dbraw/zinc/01/17/89/180011789.db2.gz WWPRBKYNTNBWKE-MRVPVSSYSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCCc3[nH+]ccn32)[nH]1 ZINC000377913160 180011791 /nfs/dbraw/zinc/01/17/91/180011791.db2.gz WWPRBKYNTNBWKE-MRVPVSSYSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@]2(C)CCOC2)[nH+]1 ZINC000339357848 180024058 /nfs/dbraw/zinc/02/40/58/180024058.db2.gz MZRMOUPAGBSYPO-NSHDSACASA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(N[C@@]2(C)CCOC2)nc(N(C)C)[nH+]1 ZINC000339357848 180024061 /nfs/dbraw/zinc/02/40/61/180024061.db2.gz MZRMOUPAGBSYPO-NSHDSACASA-N 1 2 237.307 0.837 20 0 BCADLO COC(=O)[C@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000303794860 350127859 /nfs/dbraw/zinc/12/78/59/350127859.db2.gz QUCHZPAJRVVCRA-LLVKDONJSA-N 1 2 239.319 0.979 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000367667853 180035473 /nfs/dbraw/zinc/03/54/73/180035473.db2.gz FOBNBWNRWRMQRL-APPZFPTMSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000367667853 180035475 /nfs/dbraw/zinc/03/54/75/180035475.db2.gz FOBNBWNRWRMQRL-APPZFPTMSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000367667856 180035920 /nfs/dbraw/zinc/03/59/20/180035920.db2.gz FOBNBWNRWRMQRL-VXNVDRBHSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000367667856 180035924 /nfs/dbraw/zinc/03/59/24/180035924.db2.gz FOBNBWNRWRMQRL-VXNVDRBHSA-N 1 2 223.276 0.896 20 0 BCADLO CCCCNC(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791057 350115933 /nfs/dbraw/zinc/11/59/33/350115933.db2.gz FIPFZZPDSQULKL-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791057 350115936 /nfs/dbraw/zinc/11/59/36/350115936.db2.gz FIPFZZPDSQULKL-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445488 180042650 /nfs/dbraw/zinc/04/26/50/180042650.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445488 180042653 /nfs/dbraw/zinc/04/26/53/180042653.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC000268445488 180042655 /nfs/dbraw/zinc/04/26/55/180042655.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC000268445488 180042657 /nfs/dbraw/zinc/04/26/57/180042657.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)n[nH]1 ZINC000268445488 180042660 /nfs/dbraw/zinc/04/26/60/180042660.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)n[nH]1 ZINC000268445488 180042663 /nfs/dbraw/zinc/04/26/63/180042663.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@](C)([NH2+]C[C@H](C)O)C2CC2)no1 ZINC000309845639 180060660 /nfs/dbraw/zinc/06/06/60/180060660.db2.gz SWMRUWWMJXJJSE-WRWORJQWSA-N 1 2 225.292 0.974 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000132518704 191032743 /nfs/dbraw/zinc/03/27/43/191032743.db2.gz BPNWBGGFWVBSIW-BDAKNGLRSA-N 1 2 228.292 0.183 20 0 BCADLO Cn1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000637008287 350138265 /nfs/dbraw/zinc/13/82/65/350138265.db2.gz FFLXETNUUDHLBN-MRVPVSSYSA-N 1 2 246.274 0.363 20 0 BCADLO Cc1nc(N2C[C@@H](O)[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000277434498 180068530 /nfs/dbraw/zinc/06/85/30/180068530.db2.gz MPQODSIJXZFURJ-VXGBXAGGSA-N 1 2 249.314 0.206 20 0 BCADLO Cc1nc(NC[C@@H](O)CO)c2c([nH+]1)CCCC2 ZINC000272847829 180070702 /nfs/dbraw/zinc/07/07/02/180070702.db2.gz JSEJTTAEYCZUBL-SECBINFHSA-N 1 2 237.303 0.429 20 0 BCADLO C[N@H+](Cc1csnn1)C(C)(C)CO ZINC000128354655 490346784 /nfs/dbraw/zinc/34/67/84/490346784.db2.gz FNSFXMUZLFLSQS-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO C[N@@H+](Cc1csnn1)C(C)(C)CO ZINC000128354655 490346792 /nfs/dbraw/zinc/34/67/92/490346792.db2.gz FNSFXMUZLFLSQS-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO CCC[N@H+](CCN1C(=O)CNC1=O)CC(F)F ZINC000133310804 191038945 /nfs/dbraw/zinc/03/89/45/191038945.db2.gz DXVIQYHOSGSYER-UHFFFAOYSA-N 1 2 249.261 0.515 20 0 BCADLO CCC[N@@H+](CCN1C(=O)CNC1=O)CC(F)F ZINC000133310804 191038948 /nfs/dbraw/zinc/03/89/48/191038948.db2.gz DXVIQYHOSGSYER-UHFFFAOYSA-N 1 2 249.261 0.515 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](CCn1cccn1)C2 ZINC000267335531 180112960 /nfs/dbraw/zinc/11/29/60/180112960.db2.gz AZBMTYNRXDMGEQ-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](CCn1cccn1)C2 ZINC000267335531 180112964 /nfs/dbraw/zinc/11/29/64/180112964.db2.gz AZBMTYNRXDMGEQ-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000289484837 180113474 /nfs/dbraw/zinc/11/34/74/180113474.db2.gz BXRCUAGJYGHPRF-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCn2nc(C)nc2C1 ZINC000289484837 180113478 /nfs/dbraw/zinc/11/34/78/180113478.db2.gz BXRCUAGJYGHPRF-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000371195840 180113528 /nfs/dbraw/zinc/11/35/28/180113528.db2.gz ANJDAWUAJWDMDN-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nc2n(n1)CC[N@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000371195840 180113530 /nfs/dbraw/zinc/11/35/30/180113530.db2.gz ANJDAWUAJWDMDN-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO CS[C@@H](CO)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304523862 350162563 /nfs/dbraw/zinc/16/25/63/350162563.db2.gz SLBMIFOUIZBYJT-FSPLSTOPSA-N 1 2 243.336 0.287 20 0 BCADLO CS[C@@H](CO)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304523862 350162565 /nfs/dbraw/zinc/16/25/65/350162565.db2.gz SLBMIFOUIZBYJT-FSPLSTOPSA-N 1 2 243.336 0.287 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CO ZINC000192575655 180103589 /nfs/dbraw/zinc/10/35/89/180103589.db2.gz AIOAYXWWDQIZMP-SECBINFHSA-N 1 2 247.298 0.842 20 0 BCADLO Cc1[nH]c(C(=O)NC2(CC(N)=O)CCC2)c[nH+]1 ZINC000339288838 180128766 /nfs/dbraw/zinc/12/87/66/180128766.db2.gz GCLAIYHZXGBVDG-UHFFFAOYSA-N 1 2 236.275 0.246 20 0 BCADLO Cc1cnc(C(=O)NCCc2[nH]cc[nH+]2)c(O)c1 ZINC000426991241 191050546 /nfs/dbraw/zinc/05/05/46/191050546.db2.gz MDHJJUQDITYHLY-UHFFFAOYSA-N 1 2 246.270 0.791 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@@H](C)O)c[nH+]1 ZINC000334036746 180132915 /nfs/dbraw/zinc/13/29/15/180132915.db2.gz OUFZVQOYBIQUBQ-NKWVEPMBSA-N 1 2 211.265 0.607 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c[nH+]1 ZINC000332251325 180133363 /nfs/dbraw/zinc/13/33/63/180133363.db2.gz SOIJAKATMCPTEJ-SECBINFHSA-N 1 2 245.286 0.729 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000151944764 538064549 /nfs/dbraw/zinc/06/45/49/538064549.db2.gz CFHMFFNNHSKFSR-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](OCCO)C2)[nH]1 ZINC000428251344 191053476 /nfs/dbraw/zinc/05/34/76/191053476.db2.gz ZDTLHEKPXYHJCV-SNVBAGLBSA-N 1 2 240.307 0.086 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](OCCO)C2)[nH]1 ZINC000428251344 191053477 /nfs/dbraw/zinc/05/34/77/191053477.db2.gz ZDTLHEKPXYHJCV-SNVBAGLBSA-N 1 2 240.307 0.086 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000096248676 191055982 /nfs/dbraw/zinc/05/59/82/191055982.db2.gz NYDOGZKLABYVRS-KOLCDFICSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000096248676 191055984 /nfs/dbraw/zinc/05/59/84/191055984.db2.gz NYDOGZKLABYVRS-KOLCDFICSA-N 1 2 236.271 0.435 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cn1ccccc1=O ZINC000358600439 180119387 /nfs/dbraw/zinc/11/93/87/180119387.db2.gz RRBOZGGFRPYTOA-UHFFFAOYSA-N 1 2 246.270 0.196 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(=O)[nH]c1 ZINC000359520881 180120612 /nfs/dbraw/zinc/12/06/12/180120612.db2.gz ZTUAJSFLHOXCQX-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1[nH]c[nH+]c1C ZINC000354362536 180120633 /nfs/dbraw/zinc/12/06/33/180120633.db2.gz XKMYPIZSFXYLHN-UHFFFAOYSA-N 1 2 247.302 0.917 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn[nH]1 ZINC000335753906 180120663 /nfs/dbraw/zinc/12/06/63/180120663.db2.gz BWYZOMNGDWVZNO-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1cnc(C[NH2+]Cc2cnc(C)[nH]c2=O)n1C ZINC000341261471 180155367 /nfs/dbraw/zinc/15/53/67/180155367.db2.gz POFWPYBECUXVJC-UHFFFAOYSA-N 1 2 247.302 0.822 20 0 BCADLO Cc1c[nH+]c(CNCc2cnc(C)[nH]c2=O)n1C ZINC000341261471 180155370 /nfs/dbraw/zinc/15/53/70/180155370.db2.gz POFWPYBECUXVJC-UHFFFAOYSA-N 1 2 247.302 0.822 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000041366697 191065401 /nfs/dbraw/zinc/06/54/01/191065401.db2.gz LMOBIQOTOCSPCP-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000332590284 180144929 /nfs/dbraw/zinc/14/49/29/180144929.db2.gz MXNHVTFCXFSLTL-VIFPVBQESA-N 1 2 244.302 0.953 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000332590284 180144930 /nfs/dbraw/zinc/14/49/30/180144930.db2.gz MXNHVTFCXFSLTL-VIFPVBQESA-N 1 2 244.302 0.953 20 0 BCADLO COCCC[N@H+](CCOC)Cc1nnc(C)[nH]1 ZINC000428447192 191074006 /nfs/dbraw/zinc/07/40/06/191074006.db2.gz LYIQVLWJMJMJLD-UHFFFAOYSA-N 1 2 242.323 0.598 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1nnc(C)[nH]1 ZINC000428447192 191074009 /nfs/dbraw/zinc/07/40/09/191074009.db2.gz LYIQVLWJMJMJLD-UHFFFAOYSA-N 1 2 242.323 0.598 20 0 BCADLO c1cc(C[NH2+]Cc2nnnn2C2CC2)sn1 ZINC000638703884 352542052 /nfs/dbraw/zinc/54/20/52/352542052.db2.gz OJOKMXFRHZDDMD-UHFFFAOYSA-N 1 2 236.304 0.754 20 0 BCADLO Cc1nc(N2C[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000367420302 180195108 /nfs/dbraw/zinc/19/51/08/180195108.db2.gz QEBHTNIWMRMZGX-AOOOYVTPSA-N 1 2 205.261 0.868 20 0 BCADLO Cc1nc(NCCS(C)(=O)=O)cc[nH+]1 ZINC000054935937 180198551 /nfs/dbraw/zinc/19/85/51/180198551.db2.gz KUQBFZHRSLKAPD-UHFFFAOYSA-N 1 2 215.278 0.242 20 0 BCADLO Cc1nc(NC[C@@]2(O)CCO[C@@H]2C)cc[nH+]1 ZINC000228007347 180200955 /nfs/dbraw/zinc/20/09/55/180200955.db2.gz FWDWLVSVQBOXKU-KCJUWKMLSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@H](C(N)=O)O2)cc[nH+]1 ZINC000162920916 180201151 /nfs/dbraw/zinc/20/11/51/180201151.db2.gz LHZFVKOYMPRRKM-DTWKUNHWSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1nc(N[C@@H](CO)[C@@H]2CCCO2)cc[nH+]1 ZINC000309864649 180202013 /nfs/dbraw/zinc/20/20/13/180202013.db2.gz NZLBPZWBVVHQDL-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(N[C@@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000193535125 180203494 /nfs/dbraw/zinc/20/34/94/180203494.db2.gz RJLUFXCHNZZROY-XVKPBYJWSA-N 1 2 220.276 0.722 20 0 BCADLO Cc1nc(N[C@H](CO)c2cnn(C)c2)cc[nH+]1 ZINC000270118707 180204691 /nfs/dbraw/zinc/20/46/91/180204691.db2.gz GGEMTYCALVKREL-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000373596797 180183667 /nfs/dbraw/zinc/18/36/67/180183667.db2.gz SKSVVZZKXVNANM-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000373596797 180183669 /nfs/dbraw/zinc/18/36/69/180183669.db2.gz SKSVVZZKXVNANM-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)n1 ZINC000352890720 180183694 /nfs/dbraw/zinc/18/36/94/180183694.db2.gz YWYGPDUIQCEXRW-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)n1 ZINC000352890720 180183697 /nfs/dbraw/zinc/18/36/97/180183697.db2.gz YWYGPDUIQCEXRW-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000352949313 180216725 /nfs/dbraw/zinc/21/67/25/180216725.db2.gz WESYOFZVPZGXNJ-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1ncccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266858223 180224902 /nfs/dbraw/zinc/22/49/02/180224902.db2.gz AFGWMWJBXYXIHC-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ncccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266858223 180224903 /nfs/dbraw/zinc/22/49/03/180224903.db2.gz AFGWMWJBXYXIHC-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000427601155 191082654 /nfs/dbraw/zinc/08/26/54/191082654.db2.gz XPVDLTCNJCBQMI-UHFFFAOYSA-N 1 2 236.319 0.775 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000427601155 191082656 /nfs/dbraw/zinc/08/26/56/191082656.db2.gz XPVDLTCNJCBQMI-UHFFFAOYSA-N 1 2 236.319 0.775 20 0 BCADLO Cc1nccn1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371813 180254281 /nfs/dbraw/zinc/25/42/81/180254281.db2.gz RXWKLDAACFSZDE-TXEJJXNPSA-N 1 2 237.303 0.291 20 0 BCADLO Cc1nccn1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371813 180254282 /nfs/dbraw/zinc/25/42/82/180254282.db2.gz RXWKLDAACFSZDE-TXEJJXNPSA-N 1 2 237.303 0.291 20 0 BCADLO Cc1[nH+]ccn1CCCNC(=O)c1cn[nH]n1 ZINC000048941437 180243089 /nfs/dbraw/zinc/24/30/89/180243089.db2.gz XDONTHCZKSCKRF-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO Cc1[nH+]ccn1CCCNC(=O)c1cnn[nH]1 ZINC000048941437 180243091 /nfs/dbraw/zinc/24/30/91/180243091.db2.gz XDONTHCZKSCKRF-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO O=C(Cc1cccnc1)N1CC(n2cc[nH+]c2)C1 ZINC000605129528 350254695 /nfs/dbraw/zinc/25/46/95/350254695.db2.gz UOPLMMXCYUDSPF-UHFFFAOYSA-N 1 2 242.282 0.904 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC000606366011 350319480 /nfs/dbraw/zinc/31/94/80/350319480.db2.gz JDUXRRRUEVRBGN-MRVPVSSYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC000606366011 350319484 /nfs/dbraw/zinc/31/94/84/350319484.db2.gz JDUXRRRUEVRBGN-MRVPVSSYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)n[nH]1 ZINC000606366011 350319489 /nfs/dbraw/zinc/31/94/89/350319489.db2.gz JDUXRRRUEVRBGN-MRVPVSSYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000606366011 350319492 /nfs/dbraw/zinc/31/94/92/350319492.db2.gz JDUXRRRUEVRBGN-MRVPVSSYSA-N 1 2 223.280 0.536 20 0 BCADLO CCc1nsc(N2CC[NH+](CCO)CC2)n1 ZINC000083671348 350286781 /nfs/dbraw/zinc/28/67/81/350286781.db2.gz OCAUNCUVPJILHA-UHFFFAOYSA-N 1 2 242.348 0.215 20 0 BCADLO Cc1ncoc1C(=O)NCc1[nH+]ccn1C ZINC000353692232 180299132 /nfs/dbraw/zinc/29/91/32/180299132.db2.gz XBHBGRKOJZWVKV-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CO ZINC000309373290 350361999 /nfs/dbraw/zinc/36/19/99/350361999.db2.gz PSKKZKHLTAADJA-NXEZZACHSA-N 1 2 223.276 0.112 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296166195 180309129 /nfs/dbraw/zinc/30/91/29/180309129.db2.gz KRTRGYUBBHHJRF-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1ncsc1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296166195 180309130 /nfs/dbraw/zinc/30/91/30/180309130.db2.gz KRTRGYUBBHHJRF-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000606439149 350333572 /nfs/dbraw/zinc/33/35/72/350333572.db2.gz HKLKYWKFWNAJFP-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000606439149 350333573 /nfs/dbraw/zinc/33/35/73/350333573.db2.gz HKLKYWKFWNAJFP-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637271225 350369690 /nfs/dbraw/zinc/36/96/90/350369690.db2.gz RPFBQWQGYMPOKI-DTWKUNHWSA-N 1 2 238.291 0.142 20 0 BCADLO CNC(=O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580242 350370456 /nfs/dbraw/zinc/37/04/56/350370456.db2.gz GGJRTOBTUQBXED-UHFFFAOYSA-N 1 2 247.258 0.202 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]23C[C@@H]2CCC3)C1 ZINC000617209457 350379585 /nfs/dbraw/zinc/37/95/85/350379585.db2.gz SLDAYPPAUACZLV-NHCYSSNCSA-N 1 2 224.304 0.376 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]23C[C@@H]2CCC3)C1 ZINC000617209457 350379586 /nfs/dbraw/zinc/37/95/86/350379586.db2.gz SLDAYPPAUACZLV-NHCYSSNCSA-N 1 2 224.304 0.376 20 0 BCADLO CCc1cc(NCCNC(C)=O)nc[nH+]1 ZINC000040765127 350395488 /nfs/dbraw/zinc/39/54/88/350395488.db2.gz FLUTXDWKJQJQFF-UHFFFAOYSA-N 1 2 208.265 0.587 20 0 BCADLO C[C@H](NC(=O)NC1(C)COC1)c1[nH+]ccn1C ZINC000637289630 350404136 /nfs/dbraw/zinc/40/41/36/350404136.db2.gz MRHFNVZIOHAWJK-QMMMGPOBSA-N 1 2 238.291 0.569 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427989496 191103998 /nfs/dbraw/zinc/10/39/98/191103998.db2.gz GZJCNXRRSBHUNA-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO CCc1cc(NCC(C)(C)C(N)=O)nc[nH+]1 ZINC000226529067 350438213 /nfs/dbraw/zinc/43/82/13/350438213.db2.gz YLHYHOHWGUCJMB-UHFFFAOYSA-N 1 2 222.292 0.962 20 0 BCADLO COC[C@H](CCNC(=O)Cn1cc[nH+]c1)OC ZINC000617236725 350419788 /nfs/dbraw/zinc/41/97/88/350419788.db2.gz ZXAGFDKSRBVVNU-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1ncc[nH]1 ZINC000162724489 350421260 /nfs/dbraw/zinc/42/12/60/350421260.db2.gz CFMSPAMJVMOXDM-UHFFFAOYSA-N 1 2 219.292 0.995 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)[C@H]1CCOC1 ZINC000336671967 350430257 /nfs/dbraw/zinc/43/02/57/350430257.db2.gz GITIRXKYJIZPJM-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)[C@H]1CCOC1 ZINC000336671967 350430261 /nfs/dbraw/zinc/43/02/61/350430261.db2.gz GITIRXKYJIZPJM-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427996670 191104914 /nfs/dbraw/zinc/10/49/14/191104914.db2.gz ZTLSBKDHMQJMKK-BDAKNGLRSA-N 1 2 223.276 0.349 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccn(C)n1 ZINC000564007039 323348633 /nfs/dbraw/zinc/34/86/33/323348633.db2.gz RYQVDJVOSLCKLG-GFCCVEGCSA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccn(C)n1 ZINC000564007039 323348637 /nfs/dbraw/zinc/34/86/37/323348637.db2.gz RYQVDJVOSLCKLG-GFCCVEGCSA-N 1 2 241.335 0.638 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070007717 350489360 /nfs/dbraw/zinc/48/93/60/350489360.db2.gz HBBJACZWUCLEPO-DTWKUNHWSA-N 1 2 224.308 0.595 20 0 BCADLO COCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428003627 191106440 /nfs/dbraw/zinc/10/64/40/191106440.db2.gz DHVOXDXGWZVGMP-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228055657 350526243 /nfs/dbraw/zinc/52/62/43/350526243.db2.gz RTRBRICREMCJOC-NEPJUHHUSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228055657 350526246 /nfs/dbraw/zinc/52/62/46/350526246.db2.gz RTRBRICREMCJOC-NEPJUHHUSA-N 1 2 236.315 0.972 20 0 BCADLO CCN1CC[N@H+](CCOCC(C)C)CC1=O ZINC000337318217 350572965 /nfs/dbraw/zinc/57/29/65/350572965.db2.gz MHPQAURQDAXQHK-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CCN1CC[N@@H+](CCOCC(C)C)CC1=O ZINC000337318217 350572969 /nfs/dbraw/zinc/57/29/69/350572969.db2.gz MHPQAURQDAXQHK-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCOCC1CC1 ZINC000337389500 350581488 /nfs/dbraw/zinc/58/14/88/350581488.db2.gz GUTBNNYVFZDNDO-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCOCC1CC1 ZINC000337389500 350581490 /nfs/dbraw/zinc/58/14/90/350581490.db2.gz GUTBNNYVFZDNDO-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000637448112 350586131 /nfs/dbraw/zinc/58/61/31/350586131.db2.gz UIEZAQPPDSDNHM-JTQLQIEISA-N 1 2 227.308 0.121 20 0 BCADLO CN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000637448112 350586134 /nfs/dbraw/zinc/58/61/34/350586134.db2.gz UIEZAQPPDSDNHM-JTQLQIEISA-N 1 2 227.308 0.121 20 0 BCADLO CC[C@@H](C)N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444537 350586328 /nfs/dbraw/zinc/58/63/28/350586328.db2.gz BJYDXZVMAFWACY-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO CC[C@@H](C)N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444537 350586330 /nfs/dbraw/zinc/58/63/30/350586330.db2.gz BJYDXZVMAFWACY-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO C/C=C/CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000637483637 350642432 /nfs/dbraw/zinc/64/24/32/350642432.db2.gz PQELJWBMTRNWNY-NSCUHMNNSA-N 1 2 220.276 0.984 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606937322 350629488 /nfs/dbraw/zinc/62/94/88/350629488.db2.gz WVZLOHDPFDQCMD-SFYZADRCSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606937322 350629491 /nfs/dbraw/zinc/62/94/91/350629491.db2.gz WVZLOHDPFDQCMD-SFYZADRCSA-N 1 2 243.225 0.257 20 0 BCADLO C/C=C/CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637481955 350634402 /nfs/dbraw/zinc/63/44/02/350634402.db2.gz DBJFSWGQVVVDBH-HPOULIHZSA-N 1 2 220.276 0.683 20 0 BCADLO Cn1c(NC(=O)Cn2cc[nH+]c2)nnc1C1CC1 ZINC000617283627 350673607 /nfs/dbraw/zinc/67/36/07/350673607.db2.gz AGXKHFHTDRCCLJ-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1occc1C ZINC000621297420 350711270 /nfs/dbraw/zinc/71/12/70/350711270.db2.gz MZOOFKFTNTUZHJ-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1occc1C ZINC000621297420 350711273 /nfs/dbraw/zinc/71/12/73/350711273.db2.gz MZOOFKFTNTUZHJ-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338290794 350676179 /nfs/dbraw/zinc/67/61/79/350676179.db2.gz RLRIQHAOOUXIKW-GHMZBOCLSA-N 1 2 227.304 0.437 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338290794 350676180 /nfs/dbraw/zinc/67/61/80/350676180.db2.gz RLRIQHAOOUXIKW-GHMZBOCLSA-N 1 2 227.304 0.437 20 0 BCADLO CC(C)(F)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637594219 350761790 /nfs/dbraw/zinc/76/17/90/350761790.db2.gz FVOOIEOZYLPHOI-QMMMGPOBSA-N 1 2 240.282 0.855 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](CO)C1CCC1 ZINC000617312201 350720741 /nfs/dbraw/zinc/72/07/41/350720741.db2.gz UAODLYBHINJIPA-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](CO)C1CCC1 ZINC000617312201 350720745 /nfs/dbraw/zinc/72/07/45/350720745.db2.gz UAODLYBHINJIPA-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO CC[N@H+](Cc1nnc2n1CCCC2)[C@H](C)CO ZINC000339626205 350769343 /nfs/dbraw/zinc/76/93/43/350769343.db2.gz DWLKEJCGZRBEBP-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CC[N@@H+](Cc1nnc2n1CCCC2)[C@H](C)CO ZINC000339626205 350769344 /nfs/dbraw/zinc/76/93/44/350769344.db2.gz DWLKEJCGZRBEBP-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nc(C[N@@H+](CC)[C@H](C)CO)no1 ZINC000339633825 350770330 /nfs/dbraw/zinc/77/03/30/350770330.db2.gz ZDSAGQJMKBUOJL-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@H+](CC)[C@H](C)CO)no1 ZINC000339633825 350770334 /nfs/dbraw/zinc/77/03/34/350770334.db2.gz ZDSAGQJMKBUOJL-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(=O)OC ZINC000577596094 366010763 /nfs/dbraw/zinc/01/07/63/366010763.db2.gz MGBNWKVOQAWIPL-SFYZADRCSA-N 1 2 239.275 0.786 20 0 BCADLO CN(CCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607141418 350940710 /nfs/dbraw/zinc/94/07/10/350940710.db2.gz WJNVXECCLXVTBL-UHFFFAOYSA-N 1 2 219.248 0.091 20 0 BCADLO c1cn(-c2cc(N3CCC3)ncn2)c[nH+]1 ZINC000607142332 350942559 /nfs/dbraw/zinc/94/25/59/350942559.db2.gz GZGCHFGVBAHDEU-UHFFFAOYSA-N 1 2 201.233 0.872 20 0 BCADLO CN(C[C@@H]1CCS(=O)(=O)C1)c1cccc[nH+]1 ZINC000607147954 350947630 /nfs/dbraw/zinc/94/76/30/350947630.db2.gz FGBQSOQVTCUVDF-JTQLQIEISA-N 1 2 240.328 0.953 20 0 BCADLO CN(C)C(=O)c1cccc(C[N@H+](C)CC(N)=O)c1 ZINC000052441311 350947694 /nfs/dbraw/zinc/94/76/94/350947694.db2.gz QHEXDCBLKLGBLZ-UHFFFAOYSA-N 1 2 249.314 0.306 20 0 BCADLO CN(C)C(=O)c1cccc(C[N@@H+](C)CC(N)=O)c1 ZINC000052441311 350947698 /nfs/dbraw/zinc/94/76/98/350947698.db2.gz QHEXDCBLKLGBLZ-UHFFFAOYSA-N 1 2 249.314 0.306 20 0 BCADLO Cn1nnc2cc(C[NH2+]Cc3cnn[nH]3)ccc21 ZINC000623578063 363010053 /nfs/dbraw/zinc/01/00/53/363010053.db2.gz SWHQCXPMRIICHW-UHFFFAOYSA-N 1 2 243.274 0.376 20 0 BCADLO Cn1nnc2cc(C[NH2+]Cc3c[nH]nn3)ccc21 ZINC000623578063 363010055 /nfs/dbraw/zinc/01/00/55/363010055.db2.gz SWHQCXPMRIICHW-UHFFFAOYSA-N 1 2 243.274 0.376 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccco1 ZINC000259134538 351068714 /nfs/dbraw/zinc/06/87/14/351068714.db2.gz DFVWSSWUPWQPSD-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccco1 ZINC000259134538 351068718 /nfs/dbraw/zinc/06/87/18/351068718.db2.gz DFVWSSWUPWQPSD-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO OCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC000616644582 351161526 /nfs/dbraw/zinc/16/15/26/351161526.db2.gz GFGGNEOHZNYBKL-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC000616644582 351161528 /nfs/dbraw/zinc/16/15/28/351161528.db2.gz GFGGNEOHZNYBKL-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO Cc1nc(C[N@@H+](C)C2(CO)CC2)[nH]c1C ZINC000628353402 351318737 /nfs/dbraw/zinc/31/87/37/351318737.db2.gz UVZOVBIKDLLMIX-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1nc(C[N@H+](C)C2(CO)CC2)[nH]c1C ZINC000628353402 351318743 /nfs/dbraw/zinc/31/87/43/351318743.db2.gz UVZOVBIKDLLMIX-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]c(CN(C)C2(CO)CC2)[nH+]c1C ZINC000628353402 351318744 /nfs/dbraw/zinc/31/87/44/351318744.db2.gz UVZOVBIKDLLMIX-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)no1 ZINC000380111820 351358811 /nfs/dbraw/zinc/35/88/11/351358811.db2.gz OMFATSKFLRGUFS-SFGNSQDASA-N 1 2 212.249 0.393 20 0 BCADLO CC(C)(C)OCCNC(=O)Cn1cc[nH+]c1 ZINC000571937653 323509419 /nfs/dbraw/zinc/50/94/19/323509419.db2.gz FFGXUHLQVWAWGX-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO C/C=C/CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000623600389 363038301 /nfs/dbraw/zinc/03/83/01/363038301.db2.gz LRDAJWBSELUCLD-ZWNMCFTASA-N 1 2 240.351 0.108 20 0 BCADLO C/C=C/CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000623600389 363038303 /nfs/dbraw/zinc/03/83/03/363038303.db2.gz LRDAJWBSELUCLD-ZWNMCFTASA-N 1 2 240.351 0.108 20 0 BCADLO CCN1CCN(Cc2cc(OC)cc[nH+]2)CC1=O ZINC000273428300 351529673 /nfs/dbraw/zinc/52/96/73/351529673.db2.gz LEQZQNBZHIJZAF-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO CCN1CC[N@H+](CC2=CCCOC2)CC1=O ZINC000273548629 351535018 /nfs/dbraw/zinc/53/50/18/351535018.db2.gz YHCYPKWZOZULNX-UHFFFAOYSA-N 1 2 224.304 0.497 20 0 BCADLO CCN1CC[N@@H+](CC2=CCCOC2)CC1=O ZINC000273548629 351535021 /nfs/dbraw/zinc/53/50/21/351535021.db2.gz YHCYPKWZOZULNX-UHFFFAOYSA-N 1 2 224.304 0.497 20 0 BCADLO CCN1CC[N@H+](Cc2ccc(CO)cc2)CC1=O ZINC000273543292 351535129 /nfs/dbraw/zinc/53/51/29/351535129.db2.gz UEWPVJPMZGYQPH-UHFFFAOYSA-N 1 2 248.326 0.843 20 0 BCADLO CCN1CC[N@@H+](Cc2ccc(CO)cc2)CC1=O ZINC000273543292 351535130 /nfs/dbraw/zinc/53/51/30/351535130.db2.gz UEWPVJPMZGYQPH-UHFFFAOYSA-N 1 2 248.326 0.843 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cnn(C)c1 ZINC000088094402 351568129 /nfs/dbraw/zinc/56/81/29/351568129.db2.gz CFRINUVSMHTSES-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cnn(C)c1 ZINC000088094402 351568131 /nfs/dbraw/zinc/56/81/31/351568131.db2.gz CFRINUVSMHTSES-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000072802935 351601983 /nfs/dbraw/zinc/60/19/83/351601983.db2.gz FRHRJPMXPKVKQD-VIFPVBQESA-N 1 2 209.249 0.514 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccno1 ZINC000072802935 351601987 /nfs/dbraw/zinc/60/19/87/351601987.db2.gz FRHRJPMXPKVKQD-VIFPVBQESA-N 1 2 209.249 0.514 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)no1 ZINC000572179632 323560107 /nfs/dbraw/zinc/56/01/07/323560107.db2.gz IBVJCTLMSAUFMW-UHFFFAOYSA-N 1 2 220.232 0.496 20 0 BCADLO CCC[C@H](C[N@@H+]1CCNC(=O)C1)OC ZINC000637846816 351705012 /nfs/dbraw/zinc/70/50/12/351705012.db2.gz DSJOMLKTDKNEPJ-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCC[C@H](C[N@H+]1CCNC(=O)C1)OC ZINC000637846816 351705016 /nfs/dbraw/zinc/70/50/16/351705016.db2.gz DSJOMLKTDKNEPJ-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO COCC[N@H+](C)Cc1ccc(S(N)(=O)=O)o1 ZINC000637893606 351760694 /nfs/dbraw/zinc/76/06/94/351760694.db2.gz ULVSXFNRWXJIKI-UHFFFAOYSA-N 1 2 248.304 0.005 20 0 BCADLO COCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)o1 ZINC000637893606 351760697 /nfs/dbraw/zinc/76/06/97/351760697.db2.gz ULVSXFNRWXJIKI-UHFFFAOYSA-N 1 2 248.304 0.005 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)n1C ZINC000124709846 191143319 /nfs/dbraw/zinc/14/33/19/191143319.db2.gz MRANRUFBXXOSCM-LLVKDONJSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)n1C ZINC000124709846 191143321 /nfs/dbraw/zinc/14/33/21/191143321.db2.gz MRANRUFBXXOSCM-LLVKDONJSA-N 1 2 224.308 0.470 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3ccns3)CCN12 ZINC000637989395 351863938 /nfs/dbraw/zinc/86/39/38/351863938.db2.gz XFXDHWGGWKAERV-VIFPVBQESA-N 1 2 237.328 0.950 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3ccns3)CCN12 ZINC000637989395 351863940 /nfs/dbraw/zinc/86/39/40/351863940.db2.gz XFXDHWGGWKAERV-VIFPVBQESA-N 1 2 237.328 0.950 20 0 BCADLO C[C@@H]1C(=O)NCCN1[C@H](c1[nH+]ccn1C)C1CC1 ZINC000637989100 351864234 /nfs/dbraw/zinc/86/42/34/351864234.db2.gz GWQSHFUUUQUJNT-KOLCDFICSA-N 1 2 248.330 0.692 20 0 BCADLO Cc1cc(NC(=O)COC(F)F)cc[nH+]1 ZINC000352972197 187545797 /nfs/dbraw/zinc/54/57/97/187545797.db2.gz HIHLJMWECCDVJG-UHFFFAOYSA-N 1 2 216.187 0.990 20 0 BCADLO OCCN(CCCn1cc[nH+]c1)CC(F)F ZINC000194854485 351903680 /nfs/dbraw/zinc/90/36/80/351903680.db2.gz DZALBKFRIHFVNE-UHFFFAOYSA-N 1 2 233.262 0.833 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cnns1 ZINC000366607877 351905940 /nfs/dbraw/zinc/90/59/40/351905940.db2.gz LOSNUTLPKIIWGJ-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cnns1 ZINC000366607877 351905944 /nfs/dbraw/zinc/90/59/44/351905944.db2.gz LOSNUTLPKIIWGJ-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000282916894 351951262 /nfs/dbraw/zinc/95/12/62/351951262.db2.gz YAQMCGSCOWUXTN-HMDXOVGESA-N 1 2 235.287 0.652 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@]1(N)CC1(F)F ZINC000638091933 351970164 /nfs/dbraw/zinc/97/01/64/351970164.db2.gz ZTSXQPOZHJGCOO-VIFPVBQESA-N 1 2 243.213 0.765 20 0 BCADLO Cn1cccc1C[N@H+](C)Cc1cnc(N)nc1N ZINC000638105672 351983833 /nfs/dbraw/zinc/98/38/33/351983833.db2.gz JILUKLZRXCKBKS-UHFFFAOYSA-N 1 2 246.318 0.272 20 0 BCADLO Cn1cccc1C[N@@H+](C)Cc1cnc(N)nc1N ZINC000638105672 351983836 /nfs/dbraw/zinc/98/38/36/351983836.db2.gz JILUKLZRXCKBKS-UHFFFAOYSA-N 1 2 246.318 0.272 20 0 BCADLO NS(=O)(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000638179538 352043703 /nfs/dbraw/zinc/04/37/03/352043703.db2.gz DZIBQZLECZBPRV-UHFFFAOYSA-N 1 2 244.316 0.913 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000638185433 352050012 /nfs/dbraw/zinc/05/00/12/352050012.db2.gz YLPLPJHIVPSTPB-WDEREUQCSA-N 1 2 248.330 0.692 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000638185433 352050014 /nfs/dbraw/zinc/05/00/14/352050014.db2.gz YLPLPJHIVPSTPB-WDEREUQCSA-N 1 2 248.330 0.692 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000638185428 352050183 /nfs/dbraw/zinc/05/01/83/352050183.db2.gz YLPLPJHIVPSTPB-GHMZBOCLSA-N 1 2 248.330 0.692 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000638185428 352050185 /nfs/dbraw/zinc/05/01/85/352050185.db2.gz YLPLPJHIVPSTPB-GHMZBOCLSA-N 1 2 248.330 0.692 20 0 BCADLO Cc1ncc([C@@H](C)[N@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000638184840 352052131 /nfs/dbraw/zinc/05/21/31/352052131.db2.gz VOXYFNDWTMPESB-SKDRFNHKSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000638184840 352052133 /nfs/dbraw/zinc/05/21/33/352052133.db2.gz VOXYFNDWTMPESB-SKDRFNHKSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@H](C)[N@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000638184835 352052278 /nfs/dbraw/zinc/05/22/78/352052278.db2.gz VOXYFNDWTMPESB-CABZTGNLSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@H](C)[N@@H+](C)[C@H]2CCNC2=O)c(C)n1 ZINC000638184835 352052280 /nfs/dbraw/zinc/05/22/80/352052280.db2.gz VOXYFNDWTMPESB-CABZTGNLSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@H](C)[N@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000638184838 352052309 /nfs/dbraw/zinc/05/23/09/352052309.db2.gz VOXYFNDWTMPESB-JOYOIKCWSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1ncc([C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000638184838 352052311 /nfs/dbraw/zinc/05/23/11/352052311.db2.gz VOXYFNDWTMPESB-JOYOIKCWSA-N 1 2 248.330 0.975 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(F)F ZINC000091555984 352075224 /nfs/dbraw/zinc/07/52/24/352075224.db2.gz ZQFBFLCEVNZTKE-SECBINFHSA-N 1 2 222.279 0.904 20 0 BCADLO Cc1noc(C)c1C[NH2+]C1(C(N)=O)CC1 ZINC000152389975 191152229 /nfs/dbraw/zinc/15/22/29/191152229.db2.gz PCLVYKCTSPFUTM-UHFFFAOYSA-N 1 2 209.249 0.399 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)[C@@H](C)C1 ZINC000288540770 352155619 /nfs/dbraw/zinc/15/56/19/352155619.db2.gz SHZHFLKZNHTHPI-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)[C@@H](C)C1 ZINC000288540770 352155622 /nfs/dbraw/zinc/15/56/22/352155622.db2.gz SHZHFLKZNHTHPI-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)C1CCOCC1 ZINC000638328876 352146778 /nfs/dbraw/zinc/14/67/78/352146778.db2.gz LXQDYLZONAJQEC-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000083995523 352207504 /nfs/dbraw/zinc/20/75/04/352207504.db2.gz SSBQYOCQZLYSCD-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](CO)C1 ZINC000083995523 352207505 /nfs/dbraw/zinc/20/75/05/352207505.db2.gz SSBQYOCQZLYSCD-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO CCC[N@H+](CCO)Cc1ncnn1CC ZINC000083995487 352207686 /nfs/dbraw/zinc/20/76/86/352207686.db2.gz KZWPCHNDOGZVDI-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCC[N@@H+](CCO)Cc1ncnn1CC ZINC000083995487 352207687 /nfs/dbraw/zinc/20/76/87/352207687.db2.gz KZWPCHNDOGZVDI-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000083995536 352207730 /nfs/dbraw/zinc/20/77/30/352207730.db2.gz PXEGKJHONHVQBY-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](O)C1 ZINC000083995536 352207731 /nfs/dbraw/zinc/20/77/31/352207731.db2.gz PXEGKJHONHVQBY-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cncs1 ZINC000411131203 191162343 /nfs/dbraw/zinc/16/23/43/191162343.db2.gz IKQPEHXHTBOWCR-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cncs1 ZINC000411131203 191162346 /nfs/dbraw/zinc/16/23/46/191162346.db2.gz IKQPEHXHTBOWCR-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO Cn1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000375828852 180698277 /nfs/dbraw/zinc/69/82/77/180698277.db2.gz GWKHDSXUIMXVFF-VIFPVBQESA-N 1 2 243.257 0.639 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC1(O)CCC1 ZINC000411230177 191170580 /nfs/dbraw/zinc/17/05/80/191170580.db2.gz PCLULZPUYKCMOW-UHFFFAOYSA-N 1 2 215.293 0.833 20 0 BCADLO CC[N@H+](Cc1oncc1C(=O)OC)[C@@H](C)CO ZINC000293507188 352353652 /nfs/dbraw/zinc/35/36/52/352353652.db2.gz UVMXRHDNMRFAAJ-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO CC[N@@H+](Cc1oncc1C(=O)OC)[C@@H](C)CO ZINC000293507188 352353657 /nfs/dbraw/zinc/35/36/57/352353657.db2.gz UVMXRHDNMRFAAJ-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cncs1 ZINC000411292082 191175869 /nfs/dbraw/zinc/17/58/69/191175869.db2.gz LWWMNWOYFYGESU-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cncs1 ZINC000411292082 191175871 /nfs/dbraw/zinc/17/58/71/191175871.db2.gz LWWMNWOYFYGESU-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO COC(=O)C[N@H+](CCC1(O)CCC1)C1CC1 ZINC000411313801 191177127 /nfs/dbraw/zinc/17/71/27/191177127.db2.gz YJAXRMPRXOXGII-UHFFFAOYSA-N 1 2 227.304 0.929 20 0 BCADLO COC(=O)C[N@@H+](CCC1(O)CCC1)C1CC1 ZINC000411313801 191177131 /nfs/dbraw/zinc/17/71/31/191177131.db2.gz YJAXRMPRXOXGII-UHFFFAOYSA-N 1 2 227.304 0.929 20 0 BCADLO O=C(Nc1cnn(CCF)c1)[C@H]1CSC[NH2+]1 ZINC000638535923 352367419 /nfs/dbraw/zinc/36/74/19/352367419.db2.gz VLUUKDVAXCVDJX-MRVPVSSYSA-N 1 2 244.295 0.454 20 0 BCADLO C[C@@]1(F)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000434480048 191189710 /nfs/dbraw/zinc/18/97/10/191189710.db2.gz LXPXZVJOEGBXKE-NXEZZACHSA-N 1 2 235.324 0.855 20 0 BCADLO C[C@@]1(F)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000434480048 191189712 /nfs/dbraw/zinc/18/97/12/191189712.db2.gz LXPXZVJOEGBXKE-NXEZZACHSA-N 1 2 235.324 0.855 20 0 BCADLO CCC[N@H+](CC(=O)NCC)[C@H](C)C(=O)OCC ZINC000411633822 191199730 /nfs/dbraw/zinc/19/97/30/191199730.db2.gz AXFRMZJAWIJFJG-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCC[N@@H+](CC(=O)NCC)[C@H](C)C(=O)OCC ZINC000411633822 191199732 /nfs/dbraw/zinc/19/97/32/191199732.db2.gz AXFRMZJAWIJFJG-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297031 180743996 /nfs/dbraw/zinc/74/39/96/180743996.db2.gz VWTVGETVFQCGFH-NSHDSACASA-N 1 2 249.314 0.600 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)OC)C(=O)OC ZINC000411532464 191192461 /nfs/dbraw/zinc/19/24/61/191192461.db2.gz LKIYNIORCFSKTC-WCBMZHEXSA-N 1 2 231.292 0.727 20 0 BCADLO CC[C@](COC)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411813997 191213148 /nfs/dbraw/zinc/21/31/48/191213148.db2.gz GDCWBAWYQWRRFM-MWLCHTKSSA-N 1 2 233.308 0.315 20 0 BCADLO CSCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151228984 352473712 /nfs/dbraw/zinc/47/37/12/352473712.db2.gz DHCWHHKUPQULBF-VIFPVBQESA-N 1 2 239.344 0.925 20 0 BCADLO CC1(C)COCCN1C(=O)CCn1cc[nH+]c1 ZINC000299650526 352543774 /nfs/dbraw/zinc/54/37/74/352543774.db2.gz KRTKKVLKYQCSNE-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411838709 191215647 /nfs/dbraw/zinc/21/56/47/191215647.db2.gz CMJITCQDVFAWSL-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411838709 191215648 /nfs/dbraw/zinc/21/56/48/191215648.db2.gz CMJITCQDVFAWSL-GFCCVEGCSA-N 1 2 236.319 0.816 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411860210 191222679 /nfs/dbraw/zinc/22/26/79/191222679.db2.gz LGCCXJWWNCIZQR-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411860210 191222683 /nfs/dbraw/zinc/22/26/83/191222683.db2.gz LGCCXJWWNCIZQR-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO COC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412022257 191238625 /nfs/dbraw/zinc/23/86/25/191238625.db2.gz RQKDZXQBKUCRFB-QMMMGPOBSA-N 1 2 201.266 0.707 20 0 BCADLO COCC1(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000617470407 352717398 /nfs/dbraw/zinc/71/73/98/352717398.db2.gz WRMGRSZOZRCPNM-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000638744191 352679102 /nfs/dbraw/zinc/67/91/02/352679102.db2.gz SHUCGYRBJBBFBS-SNVBAGLBSA-N 1 2 246.318 0.668 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cn[nH]c1 ZINC000334177701 352763542 /nfs/dbraw/zinc/76/35/42/352763542.db2.gz CMDUJPMRVSJBGW-MRVPVSSYSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cn[nH]c1 ZINC000334177701 352763546 /nfs/dbraw/zinc/76/35/46/352763546.db2.gz CMDUJPMRVSJBGW-MRVPVSSYSA-N 1 2 231.259 0.420 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCOCC1 ZINC000368234907 180784980 /nfs/dbraw/zinc/78/49/80/180784980.db2.gz FLXATKFUNMMGKW-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)[nH]1 ZINC000412074631 191251195 /nfs/dbraw/zinc/25/11/95/191251195.db2.gz IMDCCDBHPUIOGF-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)[nH]1 ZINC000412074631 191251197 /nfs/dbraw/zinc/25/11/97/191251197.db2.gz IMDCCDBHPUIOGF-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)n1 ZINC000412073104 191251775 /nfs/dbraw/zinc/25/17/75/191251775.db2.gz HHGZCBDJLDSRKZ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)n1 ZINC000412073104 191251778 /nfs/dbraw/zinc/25/17/78/191251778.db2.gz HHGZCBDJLDSRKZ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000334207140 352802491 /nfs/dbraw/zinc/80/24/91/352802491.db2.gz BVYOYQHPHBNBDA-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000334207140 352802495 /nfs/dbraw/zinc/80/24/95/352802495.db2.gz BVYOYQHPHBNBDA-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO COC(=O)C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000412088958 191254521 /nfs/dbraw/zinc/25/45/21/191254521.db2.gz IMHSGQPPFCOKHU-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000412088958 191254524 /nfs/dbraw/zinc/25/45/24/191254524.db2.gz IMHSGQPPFCOKHU-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000334256140 352866296 /nfs/dbraw/zinc/86/62/96/352866296.db2.gz OSGITKXMCKSIML-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000334256140 352866299 /nfs/dbraw/zinc/86/62/99/352866299.db2.gz OSGITKXMCKSIML-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000334256050 352866477 /nfs/dbraw/zinc/86/64/77/352866477.db2.gz ZHZWYRPLQQWTGT-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)NCC1(C)C ZINC000334256050 352866479 /nfs/dbraw/zinc/86/64/79/352866479.db2.gz ZHZWYRPLQQWTGT-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCC1 ZINC000334258584 352869481 /nfs/dbraw/zinc/86/94/81/352869481.db2.gz SDLSABXGCPFYGU-VXGBXAGGSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCC1 ZINC000334258584 352869484 /nfs/dbraw/zinc/86/94/84/352869484.db2.gz SDLSABXGCPFYGU-VXGBXAGGSA-N 1 2 238.331 0.862 20 0 BCADLO CCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334227575 352844623 /nfs/dbraw/zinc/84/46/23/352844623.db2.gz GBKAVWBSVKPZGV-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334227575 352844626 /nfs/dbraw/zinc/84/46/26/352844626.db2.gz GBKAVWBSVKPZGV-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)nc1 ZINC000334229451 352846652 /nfs/dbraw/zinc/84/66/52/352846652.db2.gz QGBQMKFVSORCSP-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC000334229451 352846656 /nfs/dbraw/zinc/84/66/56/352846656.db2.gz QGBQMKFVSORCSP-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000334229449 352846841 /nfs/dbraw/zinc/84/68/41/352846841.db2.gz QGBQMKFVSORCSP-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000334229449 352846843 /nfs/dbraw/zinc/84/68/43/352846843.db2.gz QGBQMKFVSORCSP-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO COCCCOCC(=O)NCCc1[nH]cc[nH+]1 ZINC000342869787 352883628 /nfs/dbraw/zinc/88/36/28/352883628.db2.gz KZIQCYNNQODTTK-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO Cc1nccc(-n2c[nH+]c(CCCO)c2)n1 ZINC000608085398 352896387 /nfs/dbraw/zinc/89/63/87/352896387.db2.gz PUPNKMLAJOWJIX-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CC2)CC[N@H+]1C ZINC000334338867 352973118 /nfs/dbraw/zinc/97/31/18/352973118.db2.gz ZOPIUSQAYLAGPG-BDAKNGLRSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CC2)CC[N@@H+]1C ZINC000334338867 352973121 /nfs/dbraw/zinc/97/31/21/352973121.db2.gz ZOPIUSQAYLAGPG-BDAKNGLRSA-N 1 2 232.349 0.503 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412096839 191261039 /nfs/dbraw/zinc/26/10/39/191261039.db2.gz SUBUSYIDCZCFCF-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412096839 191261041 /nfs/dbraw/zinc/26/10/41/191261041.db2.gz SUBUSYIDCZCFCF-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000638853189 353024603 /nfs/dbraw/zinc/02/46/03/353024603.db2.gz AVFXQROPZSEHCI-ZCFIWIBFSA-N 1 2 212.278 0.319 20 0 BCADLO C[NH+](C)C1(CNC(=O)C(F)(F)F)CC1 ZINC000306565029 353025600 /nfs/dbraw/zinc/02/56/00/353025600.db2.gz FEYPQRRCUSAOOW-UHFFFAOYSA-N 1 2 210.199 0.759 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC(=O)NC1CC1 ZINC000035149778 180823766 /nfs/dbraw/zinc/82/37/66/180823766.db2.gz IHELKEMELHYGHI-UHFFFAOYSA-N 1 2 246.274 0.054 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000638897708 353060329 /nfs/dbraw/zinc/06/03/29/353060329.db2.gz JZYXRPQGLNPAHW-SECBINFHSA-N 1 2 249.318 0.151 20 0 BCADLO Cc1ccc(O)c(C[NH2+]CCc2nc[nH]n2)n1 ZINC000091995615 187973669 /nfs/dbraw/zinc/97/36/69/187973669.db2.gz JISLINNXBRRJGS-UHFFFAOYSA-N 1 2 233.275 0.546 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1F ZINC000638908917 353071508 /nfs/dbraw/zinc/07/15/08/353071508.db2.gz AXQMHZNYCGGMKK-IONNQARKSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnc(N)nc2N)C[C@H]1F ZINC000638908917 353071510 /nfs/dbraw/zinc/07/15/10/353071510.db2.gz AXQMHZNYCGGMKK-IONNQARKSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnc(N)nc2N)C[C@H]1F ZINC000638908917 353071512 /nfs/dbraw/zinc/07/15/12/353071512.db2.gz AXQMHZNYCGGMKK-IONNQARKSA-N 1 2 239.298 0.482 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618779 538107374 /nfs/dbraw/zinc/10/73/74/538107374.db2.gz XBMVMFPJLBBZDI-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618779 538107376 /nfs/dbraw/zinc/10/73/76/538107376.db2.gz XBMVMFPJLBBZDI-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC)cn1 ZINC000193872946 188005774 /nfs/dbraw/zinc/00/57/74/188005774.db2.gz VNISSTJMOQJCQI-NSHDSACASA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@@H]2CC)cn1 ZINC000193872946 188005775 /nfs/dbraw/zinc/00/57/75/188005775.db2.gz VNISSTJMOQJCQI-NSHDSACASA-N 1 2 234.303 0.694 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)NCC1(C)C ZINC000337399417 188014399 /nfs/dbraw/zinc/01/43/99/188014399.db2.gz JTAGZGWJAYZKDL-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)NCC1(C)C ZINC000337399417 188014401 /nfs/dbraw/zinc/01/44/01/188014401.db2.gz JTAGZGWJAYZKDL-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000338362786 188017164 /nfs/dbraw/zinc/01/71/64/188017164.db2.gz NHFHNIJYAMRULP-SNVBAGLBSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000338362786 188017165 /nfs/dbraw/zinc/01/71/65/188017165.db2.gz NHFHNIJYAMRULP-SNVBAGLBSA-N 1 2 238.335 0.990 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000264448459 188021333 /nfs/dbraw/zinc/02/13/33/188021333.db2.gz RULJRZINOWSMNK-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000268726676 188023726 /nfs/dbraw/zinc/02/37/26/188023726.db2.gz WRTMQKPVUANWGE-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000268845318 188024416 /nfs/dbraw/zinc/02/44/16/188024416.db2.gz ATFNPYZNILAJIC-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO CC(C)Cn1cc(C[N@H+](C)CC(N)=O)cn1 ZINC000272926178 188027028 /nfs/dbraw/zinc/02/70/28/188027028.db2.gz GFBFMIVDLJQTBS-UHFFFAOYSA-N 1 2 224.308 0.456 20 0 BCADLO CC(C)Cn1cc(C[N@@H+](C)CC(N)=O)cn1 ZINC000272926178 188027030 /nfs/dbraw/zinc/02/70/30/188027030.db2.gz GFBFMIVDLJQTBS-UHFFFAOYSA-N 1 2 224.308 0.456 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cccc[n+]2[O-])C1 ZINC000275178199 188028029 /nfs/dbraw/zinc/02/80/29/188028029.db2.gz CCEPBIXUASBOIZ-UHFFFAOYSA-N 1 2 235.287 0.142 20 0 BCADLO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000283971527 188033002 /nfs/dbraw/zinc/03/30/02/188033002.db2.gz LFCGZDLCBRKRJJ-WDEREUQCSA-N 1 2 241.335 0.657 20 0 BCADLO CC(C)(C)n1cnc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000291781298 188036943 /nfs/dbraw/zinc/03/69/43/188036943.db2.gz WWPHGGVYJCZIFD-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO Cc1nocc1C[N@@H+](C)CC(=O)N(C)C ZINC000294953145 188038252 /nfs/dbraw/zinc/03/82/52/188038252.db2.gz QEYICWWLZKYCDA-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cc1nocc1C[N@H+](C)CC(=O)N(C)C ZINC000294953145 188038253 /nfs/dbraw/zinc/03/82/53/188038253.db2.gz QEYICWWLZKYCDA-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328894775 188045680 /nfs/dbraw/zinc/04/56/80/188045680.db2.gz VVBUKZQRBWMFDY-VHSXEESVSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328894775 188045681 /nfs/dbraw/zinc/04/56/81/188045681.db2.gz VVBUKZQRBWMFDY-VHSXEESVSA-N 1 2 239.319 0.656 20 0 BCADLO CC(=O)CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330377505 188046461 /nfs/dbraw/zinc/04/64/61/188046461.db2.gz IVWVVBFBOWKUIU-JTQLQIEISA-N 1 2 242.319 0.193 20 0 BCADLO CC(=O)CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330377505 188046463 /nfs/dbraw/zinc/04/64/63/188046463.db2.gz IVWVVBFBOWKUIU-JTQLQIEISA-N 1 2 242.319 0.193 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329464921 538109044 /nfs/dbraw/zinc/10/90/44/538109044.db2.gz VFLCEVNSSSFQFV-PHIMTYICSA-N 1 2 235.287 0.732 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329464921 538109045 /nfs/dbraw/zinc/10/90/45/538109045.db2.gz VFLCEVNSSSFQFV-PHIMTYICSA-N 1 2 235.287 0.732 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000333319797 188054383 /nfs/dbraw/zinc/05/43/83/188054383.db2.gz PLWCUEMDHPAAFR-LLVKDONJSA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000333319797 188054384 /nfs/dbraw/zinc/05/43/84/188054384.db2.gz PLWCUEMDHPAAFR-LLVKDONJSA-N 1 2 239.323 0.601 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485107 353153159 /nfs/dbraw/zinc/15/31/59/353153159.db2.gz WTKRQQPGVUUOJQ-JTQLQIEISA-N 1 2 249.314 0.679 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCC[C@@]12CCOC2 ZINC000341979868 188045119 /nfs/dbraw/zinc/04/51/19/188045119.db2.gz YRVCNIIHUCEIRI-LBPRGKRZSA-N 1 2 249.318 0.763 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCC[C@@]12CCOC2 ZINC000341979868 188045120 /nfs/dbraw/zinc/04/51/20/188045120.db2.gz YRVCNIIHUCEIRI-LBPRGKRZSA-N 1 2 249.318 0.763 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329559008 538109198 /nfs/dbraw/zinc/10/91/98/538109198.db2.gz IGJXKNPOYHRSNP-JTQLQIEISA-N 1 2 234.303 0.525 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329559008 538109199 /nfs/dbraw/zinc/10/91/99/538109199.db2.gz IGJXKNPOYHRSNP-JTQLQIEISA-N 1 2 234.303 0.525 20 0 BCADLO Cc1cc(N[C@@H](CO)[C@@H]2CCCOC2)nc[nH+]1 ZINC000664017143 538109303 /nfs/dbraw/zinc/10/93/03/538109303.db2.gz VDSUUCLCARPSDB-MNOVXSKESA-N 1 2 237.303 0.984 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCc3ccccc3CC2)[nH]1 ZINC000092618726 538109367 /nfs/dbraw/zinc/10/93/67/538109367.db2.gz YFLKOJYNJGQFQX-UHFFFAOYSA-N 1 2 244.298 0.699 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)n1C ZINC000048571340 353159858 /nfs/dbraw/zinc/15/98/58/353159858.db2.gz GWXOLNXPQLEWFK-MRVPVSSYSA-N 1 2 240.307 0.364 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)n1C ZINC000048571340 353159862 /nfs/dbraw/zinc/15/98/62/353159862.db2.gz GWXOLNXPQLEWFK-MRVPVSSYSA-N 1 2 240.307 0.364 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCN1CCNC1=O ZINC000328638710 353161709 /nfs/dbraw/zinc/16/17/09/353161709.db2.gz DJMJSNRXFIZFOZ-SECBINFHSA-N 1 2 240.307 0.267 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCN1CCNC1=O ZINC000328638710 353161712 /nfs/dbraw/zinc/16/17/12/353161712.db2.gz DJMJSNRXFIZFOZ-SECBINFHSA-N 1 2 240.307 0.267 20 0 BCADLO CN1CCO[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000353752875 353189349 /nfs/dbraw/zinc/18/93/49/353189349.db2.gz MKUFSZSUJPKLNF-ZJUUUORDSA-N 1 2 239.344 0.658 20 0 BCADLO CN1CCO[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000353752875 353189351 /nfs/dbraw/zinc/18/93/51/353189351.db2.gz MKUFSZSUJPKLNF-ZJUUUORDSA-N 1 2 239.344 0.658 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000353752875 353189353 /nfs/dbraw/zinc/18/93/53/353189353.db2.gz MKUFSZSUJPKLNF-ZJUUUORDSA-N 1 2 239.344 0.658 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000353752875 353189357 /nfs/dbraw/zinc/18/93/57/353189357.db2.gz MKUFSZSUJPKLNF-ZJUUUORDSA-N 1 2 239.344 0.658 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000083970899 538112575 /nfs/dbraw/zinc/11/25/75/538112575.db2.gz JNHAETKURCBSIT-VIFPVBQESA-N 1 2 221.308 0.141 20 0 BCADLO CCOc1nccnc1NCc1c[nH+]cn1C ZINC000516942753 538113850 /nfs/dbraw/zinc/11/38/50/538113850.db2.gz IUIIRPRDCACDCZ-UHFFFAOYSA-N 1 2 233.275 0.643 20 0 BCADLO CC(=O)N1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000301232676 188232905 /nfs/dbraw/zinc/23/29/05/188232905.db2.gz IPPKREMCLJINHL-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO OC[C@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000355541358 188237400 /nfs/dbraw/zinc/23/74/00/188237400.db2.gz IPDXHUMZHNIXAS-NXEZZACHSA-N 1 2 235.287 0.286 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(N)=O)c(C)n1 ZINC000359839025 188241323 /nfs/dbraw/zinc/24/13/23/188241323.db2.gz QRMYGLKWOLTDOJ-UHFFFAOYSA-N 1 2 207.277 0.616 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(N)=O)c(C)n1 ZINC000359839025 188241324 /nfs/dbraw/zinc/24/13/24/188241324.db2.gz QRMYGLKWOLTDOJ-UHFFFAOYSA-N 1 2 207.277 0.616 20 0 BCADLO CC(C)C[C@H](CO)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000360496463 188242582 /nfs/dbraw/zinc/24/25/82/188242582.db2.gz SYEXPDQHNGHOKN-MRVPVSSYSA-N 1 2 228.296 0.349 20 0 BCADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000360496463 188242584 /nfs/dbraw/zinc/24/25/84/188242584.db2.gz SYEXPDQHNGHOKN-MRVPVSSYSA-N 1 2 228.296 0.349 20 0 BCADLO C[C@](O)(C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000362819325 188245273 /nfs/dbraw/zinc/24/52/73/188245273.db2.gz FEJYLXDYDHQOHZ-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO C[C@](O)(C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000362819325 188245274 /nfs/dbraw/zinc/24/52/74/188245274.db2.gz FEJYLXDYDHQOHZ-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO C(CN1CCO[C@@H]2C[C@@H]21)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368323176 188246426 /nfs/dbraw/zinc/24/64/26/188246426.db2.gz XZHLTBNAZZVYIS-WUHRBBMRSA-N 1 2 238.331 0.323 20 0 BCADLO C(CN1CCO[C@@H]2C[C@@H]21)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368323176 188246427 /nfs/dbraw/zinc/24/64/27/188246427.db2.gz XZHLTBNAZZVYIS-WUHRBBMRSA-N 1 2 238.331 0.323 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373741649 188249647 /nfs/dbraw/zinc/24/96/47/188249647.db2.gz MWCCFTYKPGLJDW-KOLCDFICSA-N 1 2 249.314 0.929 20 0 BCADLO c1cn(C2C[NH+](CC3=CCCOC3)C2)nn1 ZINC000374835875 188250164 /nfs/dbraw/zinc/25/01/64/188250164.db2.gz FKPQPCIVAFRDCU-UHFFFAOYSA-N 1 2 220.276 0.482 20 0 BCADLO CC[C@](C)(C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046948 353338577 /nfs/dbraw/zinc/33/85/77/353338577.db2.gz HBMCYOVUJZPYED-LLVKDONJSA-N 1 2 240.307 0.614 20 0 BCADLO CC[C@](C)(C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046948 353338579 /nfs/dbraw/zinc/33/85/79/353338579.db2.gz HBMCYOVUJZPYED-LLVKDONJSA-N 1 2 240.307 0.614 20 0 BCADLO CC[C@@](C)(C[N@@H+]1CCn2ncnc2C1)OC ZINC000639057878 353364007 /nfs/dbraw/zinc/36/40/07/353364007.db2.gz XBEBTHYRIKGACB-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@](C)(C[N@H+]1CCn2ncnc2C1)OC ZINC000639057878 353364009 /nfs/dbraw/zinc/36/40/09/353364009.db2.gz XBEBTHYRIKGACB-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)sn1 ZINC000639056152 353366776 /nfs/dbraw/zinc/36/67/76/353366776.db2.gz BCMYRYXJAZPFPV-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)sn1 ZINC000639056152 353366779 /nfs/dbraw/zinc/36/67/79/353366779.db2.gz BCMYRYXJAZPFPV-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO OCCC[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000304027793 188337712 /nfs/dbraw/zinc/33/77/12/188337712.db2.gz ZUMIYSLDHYPOHM-UHFFFAOYSA-N 1 2 241.291 0.124 20 0 BCADLO OCCC[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000304027793 188337714 /nfs/dbraw/zinc/33/77/14/188337714.db2.gz ZUMIYSLDHYPOHM-UHFFFAOYSA-N 1 2 241.291 0.124 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC1(C)OCCCO1 ZINC000192252428 188351217 /nfs/dbraw/zinc/35/12/17/188351217.db2.gz GUWBEAAZSKLWTA-UHFFFAOYSA-N 1 2 225.292 0.961 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@H]2CC)cn1 ZINC000193872930 188351582 /nfs/dbraw/zinc/35/15/82/188351582.db2.gz VNISSTJMOQJCQI-LLVKDONJSA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@H]2CC)cn1 ZINC000193872930 188351584 /nfs/dbraw/zinc/35/15/84/188351584.db2.gz VNISSTJMOQJCQI-LLVKDONJSA-N 1 2 234.303 0.694 20 0 BCADLO CC(C)c1nc(N2CCNC(=O)CC2)cc[nH+]1 ZINC000110332453 188353018 /nfs/dbraw/zinc/35/30/18/188353018.db2.gz NCQIOLJQMSIRDT-UHFFFAOYSA-N 1 2 234.303 0.926 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111207916 188354498 /nfs/dbraw/zinc/35/44/98/188354498.db2.gz LJVZWKKDPNJTRQ-NSHDSACASA-N 1 2 236.319 0.758 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111207916 188354499 /nfs/dbraw/zinc/35/44/99/188354499.db2.gz LJVZWKKDPNJTRQ-NSHDSACASA-N 1 2 236.319 0.758 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@H](CO)O[C@@H](C)C1 ZINC000230017541 353420698 /nfs/dbraw/zinc/42/06/98/353420698.db2.gz KHCRSNMSBMZUNQ-WDEREUQCSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587551 188366788 /nfs/dbraw/zinc/36/67/88/188366788.db2.gz KHPJIEYIFIJQGU-LLVKDONJSA-N 1 2 232.299 0.260 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338587551 188366789 /nfs/dbraw/zinc/36/67/89/188366789.db2.gz KHPJIEYIFIJQGU-LLVKDONJSA-N 1 2 232.299 0.260 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000270926006 188375877 /nfs/dbraw/zinc/37/58/77/188375877.db2.gz GEOGJVCHYZSBCZ-LURJTMIESA-N 1 2 209.249 0.816 20 0 BCADLO Cc1ncc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000264194057 188370853 /nfs/dbraw/zinc/37/08/53/188370853.db2.gz OYVQROJRRYHBPM-UHFFFAOYSA-N 1 2 246.274 0.803 20 0 BCADLO Cc1cnc(N(C)CC[NH+]2CCOCC2)nc1 ZINC000270316544 188375901 /nfs/dbraw/zinc/37/59/01/188375901.db2.gz UNUJRHXNAYSAHG-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO CC(=O)NC1C[NH+](Cc2nc(C)ccc2O)C1 ZINC000291413357 188390765 /nfs/dbraw/zinc/39/07/65/188390765.db2.gz GTRUBVBGFGXOCT-UHFFFAOYSA-N 1 2 235.287 0.416 20 0 BCADLO CC(=O)NCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270321961 188376130 /nfs/dbraw/zinc/37/61/30/188376130.db2.gz WXEDTSGKIVQYIB-UHFFFAOYSA-N 1 2 249.318 0.847 20 0 BCADLO CC(=O)NCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270321961 188376132 /nfs/dbraw/zinc/37/61/32/188376132.db2.gz WXEDTSGKIVQYIB-UHFFFAOYSA-N 1 2 249.318 0.847 20 0 BCADLO CCN(CC)c1ccc(CNC(=O)CO)c[nH+]1 ZINC000270721834 188376503 /nfs/dbraw/zinc/37/65/03/188376503.db2.gz AEYGZTMPCWRBGU-UHFFFAOYSA-N 1 2 237.303 0.536 20 0 BCADLO CCn1nc(C[N@H+](C)CC(N)=O)c2ccccc21 ZINC000274613031 188377929 /nfs/dbraw/zinc/37/79/29/188377929.db2.gz UWOZGLWUZFTJRS-UHFFFAOYSA-N 1 2 246.314 0.973 20 0 BCADLO CCn1nc(C[N@@H+](C)CC(N)=O)c2ccccc21 ZINC000274613031 188377931 /nfs/dbraw/zinc/37/79/31/188377931.db2.gz UWOZGLWUZFTJRS-UHFFFAOYSA-N 1 2 246.314 0.973 20 0 BCADLO CC(C)(C)c1cc(C[NH+](CCO)CCO)no1 ZINC000289531143 188389680 /nfs/dbraw/zinc/38/96/80/188389680.db2.gz BVUXCNDOJZGVNO-UHFFFAOYSA-N 1 2 242.319 0.759 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000639096548 353487178 /nfs/dbraw/zinc/48/71/78/353487178.db2.gz HCZDVJARTNXLQB-VIFPVBQESA-N 1 2 225.292 0.939 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@H](CO)C1 ZINC000191785954 353511061 /nfs/dbraw/zinc/51/10/61/353511061.db2.gz KHCRSNMSBMZUNQ-QWRGUYRKSA-N 1 2 239.319 0.485 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191856957 353513740 /nfs/dbraw/zinc/51/37/40/353513740.db2.gz ZPNRSYPXLYDPEQ-BDAKNGLRSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191856957 353513743 /nfs/dbraw/zinc/51/37/43/353513743.db2.gz ZPNRSYPXLYDPEQ-BDAKNGLRSA-N 1 2 229.276 0.290 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511797 353520116 /nfs/dbraw/zinc/52/01/16/353520116.db2.gz ZWMTZRYARKZOAZ-NXEZZACHSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511797 353520118 /nfs/dbraw/zinc/52/01/18/353520118.db2.gz ZWMTZRYARKZOAZ-NXEZZACHSA-N 1 2 249.314 0.748 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)n1 ZINC000639097195 353495907 /nfs/dbraw/zinc/49/59/07/353495907.db2.gz JCWNVQBFOMTMST-HTQZYQBOSA-N 1 2 236.279 0.709 20 0 BCADLO CC[N@H+](CC(N)=O)[C@H](c1nccn1C)C1CC1 ZINC000639098450 353499673 /nfs/dbraw/zinc/49/96/73/353499673.db2.gz PMTQNSHBLBKFST-NSHDSACASA-N 1 2 236.319 0.678 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@H](c1nccn1C)C1CC1 ZINC000639098450 353499677 /nfs/dbraw/zinc/49/96/77/353499677.db2.gz PMTQNSHBLBKFST-NSHDSACASA-N 1 2 236.319 0.678 20 0 BCADLO CCN(CC(N)=O)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639098450 353499679 /nfs/dbraw/zinc/49/96/79/353499679.db2.gz PMTQNSHBLBKFST-NSHDSACASA-N 1 2 236.319 0.678 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(N)=O ZINC000192682425 353563225 /nfs/dbraw/zinc/56/32/25/353563225.db2.gz YLNZDVZHPAFICJ-RQJHMYQMSA-N 1 2 240.307 0.892 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000192709307 353563787 /nfs/dbraw/zinc/56/37/87/353563787.db2.gz CLUKUUPBKKBEND-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000192709296 353564200 /nfs/dbraw/zinc/56/42/00/353564200.db2.gz CLUKUUPBKKBEND-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO CCCCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000343310047 353573152 /nfs/dbraw/zinc/57/31/52/353573152.db2.gz YWAXYHHQRHQXCX-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCCN(CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000343310047 353573155 /nfs/dbraw/zinc/57/31/55/353573155.db2.gz YWAXYHHQRHQXCX-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000193972444 353606890 /nfs/dbraw/zinc/60/68/90/353606890.db2.gz GLKNEZKXANUQJN-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000193972444 353606893 /nfs/dbraw/zinc/60/68/93/353606893.db2.gz GLKNEZKXANUQJN-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CCn1cc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000227600918 363244580 /nfs/dbraw/zinc/24/45/80/363244580.db2.gz YBKCDYKTCWIEMX-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccc[nH]c1=O ZINC000343316423 353654565 /nfs/dbraw/zinc/65/45/65/353654565.db2.gz ZRXXZRVVRWFJGC-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO CCn1ncnc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000639118746 353760313 /nfs/dbraw/zinc/76/03/13/353760313.db2.gz FVILMDVAOUKPKT-JTQLQIEISA-N 1 2 236.319 0.766 20 0 BCADLO CCn1cc[nH+]c1CN(C)CC(=O)NC1CC1 ZINC000195514012 353765813 /nfs/dbraw/zinc/76/58/13/353765813.db2.gz FVVAQSWOJDSPSD-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1nc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000343339364 353797443 /nfs/dbraw/zinc/79/74/43/353797443.db2.gz CQCHKFPYZJDSEV-VXNVDRBHSA-N 1 2 237.307 0.385 20 0 BCADLO Cc1nc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC000343339364 353797445 /nfs/dbraw/zinc/79/74/45/353797445.db2.gz CQCHKFPYZJDSEV-VXNVDRBHSA-N 1 2 237.307 0.385 20 0 BCADLO O=C1NCCC[C@H]1COc1cc[nH+]cc1 ZINC000577942677 366116303 /nfs/dbraw/zinc/11/63/03/366116303.db2.gz FVXURLRNJLECLX-VIFPVBQESA-N 1 2 206.245 0.987 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[S@]1=O ZINC000353822841 353809556 /nfs/dbraw/zinc/80/95/56/353809556.db2.gz USBKVQYRIZSYNQ-XLKFXECMSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[S@]1=O ZINC000353822841 353809558 /nfs/dbraw/zinc/80/95/58/353809558.db2.gz USBKVQYRIZSYNQ-XLKFXECMSA-N 1 2 213.306 0.363 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000053148116 353841124 /nfs/dbraw/zinc/84/11/24/353841124.db2.gz GTFJEEDZEKMHAZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000053148116 353841125 /nfs/dbraw/zinc/84/11/25/353841125.db2.gz GTFJEEDZEKMHAZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC000343397871 353877873 /nfs/dbraw/zinc/87/78/73/353877873.db2.gz CHHSMSFLCUIILF-QMMMGPOBSA-N 1 2 238.291 0.031 20 0 BCADLO CCC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(N)=O ZINC000343397871 353877874 /nfs/dbraw/zinc/87/78/74/353877874.db2.gz CHHSMSFLCUIILF-QMMMGPOBSA-N 1 2 238.291 0.031 20 0 BCADLO O=C(C[C@@H]1CCCC[C@@H]1O)NCc1[nH]cc[nH+]1 ZINC000343399745 353877906 /nfs/dbraw/zinc/87/79/06/353877906.db2.gz HONOMPQYOLHYLO-UWVGGRQHSA-N 1 2 237.303 0.967 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000343524080 353927390 /nfs/dbraw/zinc/92/73/90/353927390.db2.gz IIFSNZPHQWOBLW-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000343524080 353927391 /nfs/dbraw/zinc/92/73/91/353927391.db2.gz IIFSNZPHQWOBLW-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)C1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000343599047 353930501 /nfs/dbraw/zinc/93/05/01/353930501.db2.gz GRWQHMIZVWBZCG-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cncnc1 ZINC000343624495 353947606 /nfs/dbraw/zinc/94/76/06/353947606.db2.gz PPBUZMUKRSCPLX-GHMZBOCLSA-N 1 2 232.287 0.187 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cncnc1 ZINC000343624495 353947607 /nfs/dbraw/zinc/94/76/07/353947607.db2.gz PPBUZMUKRSCPLX-GHMZBOCLSA-N 1 2 232.287 0.187 20 0 BCADLO COc1cncc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000343691155 353964889 /nfs/dbraw/zinc/96/48/89/353964889.db2.gz NBBCWAYFWJWGQC-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000343691155 353964890 /nfs/dbraw/zinc/96/48/90/353964890.db2.gz NBBCWAYFWJWGQC-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)[C@@H](C)CN1C ZINC000343710396 353968500 /nfs/dbraw/zinc/96/85/00/353968500.db2.gz LIVISEHXHHARDQ-MNOVXSKESA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)[C@@H](C)CN1C ZINC000343710396 353968501 /nfs/dbraw/zinc/96/85/01/353968501.db2.gz LIVISEHXHHARDQ-MNOVXSKESA-N 1 2 240.351 0.036 20 0 BCADLO CO[C@H]1C[C@@H](CO)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000343713200 353956593 /nfs/dbraw/zinc/95/65/93/353956593.db2.gz OXAFEDBZGBJJRB-QWRGUYRKSA-N 1 2 249.314 0.940 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000343719505 353958011 /nfs/dbraw/zinc/95/80/11/353958011.db2.gz IKCDAFYFTPBSEO-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000343719505 353958012 /nfs/dbraw/zinc/95/80/12/353958012.db2.gz IKCDAFYFTPBSEO-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1CCN1CCCCC1 ZINC000343719585 353958103 /nfs/dbraw/zinc/95/81/03/353958103.db2.gz DZAJYASITHCFCP-GFCCVEGCSA-N 1 2 244.404 0.882 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1CCN1CCCCC1 ZINC000343719585 353958106 /nfs/dbraw/zinc/95/81/06/353958106.db2.gz DZAJYASITHCFCP-GFCCVEGCSA-N 1 2 244.404 0.882 20 0 BCADLO CN1CC[N@H+](CCN2CCNC2=O)C(C)(C)C1 ZINC000343681773 353962950 /nfs/dbraw/zinc/96/29/50/353962950.db2.gz BQFLZSUVLLIPRL-UHFFFAOYSA-N 1 2 240.351 0.038 20 0 BCADLO CN1CC[N@@H+](CCN2CCNC2=O)C(C)(C)C1 ZINC000343681773 353962951 /nfs/dbraw/zinc/96/29/51/353962951.db2.gz BQFLZSUVLLIPRL-UHFFFAOYSA-N 1 2 240.351 0.038 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000343816747 354012949 /nfs/dbraw/zinc/01/29/49/354012949.db2.gz XMQFMSVROHWCMM-QMMMGPOBSA-N 1 2 223.276 0.826 20 0 BCADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCOC1 ZINC000343868885 354027416 /nfs/dbraw/zinc/02/74/16/354027416.db2.gz BFRXXOLVSAWXGV-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO CO[C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000343876869 354030151 /nfs/dbraw/zinc/03/01/51/354030151.db2.gz ZIPIXZFPIQRFLJ-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059472 354129006 /nfs/dbraw/zinc/12/90/06/354129006.db2.gz LFKPPSYFBHGRDW-DTWKUNHWSA-N 1 2 240.307 0.725 20 0 BCADLO COC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059472 354129009 /nfs/dbraw/zinc/12/90/09/354129009.db2.gz LFKPPSYFBHGRDW-DTWKUNHWSA-N 1 2 240.307 0.725 20 0 BCADLO COCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000344188543 354178224 /nfs/dbraw/zinc/17/82/24/354178224.db2.gz GAQJMSUCXJOFKK-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)no1 ZINC000344174459 354172298 /nfs/dbraw/zinc/17/22/98/354172298.db2.gz QDICJULKZXOJOZ-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)no1 ZINC000344174459 354172302 /nfs/dbraw/zinc/17/23/02/354172302.db2.gz QDICJULKZXOJOZ-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)[nH]1 ZINC000344155639 354158120 /nfs/dbraw/zinc/15/81/20/354158120.db2.gz VMQXOSCTRMEKNM-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)[nH]1 ZINC000344155639 354158125 /nfs/dbraw/zinc/15/81/25/354158125.db2.gz VMQXOSCTRMEKNM-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO Cn1cc[nH+]c1Cn1ccnc1S(C)(=O)=O ZINC000344199413 354161629 /nfs/dbraw/zinc/16/16/29/354161629.db2.gz SOBMKKOCCKEHCC-UHFFFAOYSA-N 1 2 240.288 0.068 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cncs1 ZINC000344192234 354179869 /nfs/dbraw/zinc/17/98/69/354179869.db2.gz NEFJODAWMBOBLA-UHFFFAOYSA-N 1 2 221.241 0.918 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1O ZINC000344217900 354181130 /nfs/dbraw/zinc/18/11/30/354181130.db2.gz NPUWJSBUFOYLOR-ZJUUUORDSA-N 1 2 237.303 0.762 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOCC(F)F)C1CC1 ZINC000231674153 363347883 /nfs/dbraw/zinc/34/78/83/363347883.db2.gz OZLRLAUAZGKNHM-SECBINFHSA-N 1 2 237.246 0.809 20 0 BCADLO CC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000344362456 354242725 /nfs/dbraw/zinc/24/27/25/354242725.db2.gz CPVDAZOWSXGTGG-MRVPVSSYSA-N 1 2 211.265 0.148 20 0 BCADLO CC[C@@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000344362456 354242727 /nfs/dbraw/zinc/24/27/27/354242727.db2.gz CPVDAZOWSXGTGG-MRVPVSSYSA-N 1 2 211.265 0.148 20 0 BCADLO Cn1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000334613972 354298988 /nfs/dbraw/zinc/29/89/88/354298988.db2.gz JQVMHTMIXVKWSA-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cn1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000334613972 354298990 /nfs/dbraw/zinc/29/89/90/354298990.db2.gz JQVMHTMIXVKWSA-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO c1nnn2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000577961210 366145288 /nfs/dbraw/zinc/14/52/88/366145288.db2.gz MBPHFBRILAVUID-LLVKDONJSA-N 1 2 222.292 0.663 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000577961210 366145294 /nfs/dbraw/zinc/14/52/94/366145294.db2.gz MBPHFBRILAVUID-LLVKDONJSA-N 1 2 222.292 0.663 20 0 BCADLO CCn1c[nH+]cc1CN1CCNC(=O)C1(C)C ZINC000334601174 354279487 /nfs/dbraw/zinc/27/94/87/354279487.db2.gz HBYFCIGNJTWRCB-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H]1CCS(=O)(=O)C1 ZINC000577990615 366160805 /nfs/dbraw/zinc/16/08/05/366160805.db2.gz YHASCIKYYOVVIG-VIFPVBQESA-N 1 2 241.316 0.692 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(C)(O)C2)[nH+]1 ZINC000344969126 354385585 /nfs/dbraw/zinc/38/55/85/354385585.db2.gz IENCDAFOCTYMKH-UHFFFAOYSA-N 1 2 218.260 0.837 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnn(-c2ccccc2)c1 ZINC000015571274 354386601 /nfs/dbraw/zinc/38/66/01/354386601.db2.gz HLXVNJXQKIUAQZ-UHFFFAOYSA-N 1 2 244.298 0.789 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnn(-c2ccccc2)c1 ZINC000015571274 354386602 /nfs/dbraw/zinc/38/66/02/354386602.db2.gz HLXVNJXQKIUAQZ-UHFFFAOYSA-N 1 2 244.298 0.789 20 0 BCADLO Cn1cc(C(C)(C)C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000344996995 354390769 /nfs/dbraw/zinc/39/07/69/354390769.db2.gz YLFXIKYNBXQQFF-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CN1C ZINC000351921500 134006518 /nfs/dbraw/zinc/00/65/18/134006518.db2.gz QHTWOHHFAPSJSX-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CN1C ZINC000351921500 134006519 /nfs/dbraw/zinc/00/65/19/134006519.db2.gz QHTWOHHFAPSJSX-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000578019316 366183832 /nfs/dbraw/zinc/18/38/32/366183832.db2.gz SAMYUMARCUZHJL-OCAPTIKFSA-N 1 2 215.203 0.402 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C1CC1 ZINC000334668647 354408503 /nfs/dbraw/zinc/40/85/03/354408503.db2.gz BXKYMJFIZLAVNE-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C1CC1 ZINC000334668647 354408507 /nfs/dbraw/zinc/40/85/07/354408507.db2.gz BXKYMJFIZLAVNE-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCC1(F)F ZINC000334669682 354409910 /nfs/dbraw/zinc/40/99/10/354409910.db2.gz QHJFBRNILRJBBN-ZETCQYMHSA-N 1 2 246.261 0.586 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCC1(F)F ZINC000334669682 354409912 /nfs/dbraw/zinc/40/99/12/354409912.db2.gz QHJFBRNILRJBBN-ZETCQYMHSA-N 1 2 246.261 0.586 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H]1C1CC1)[NH+]1CCOCC1 ZINC000334671613 354413343 /nfs/dbraw/zinc/41/33/43/354413343.db2.gz WHAZVCNGHQRWCB-CMPLNLGQSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)(NC(=O)[C@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000578076803 366224355 /nfs/dbraw/zinc/22/43/55/366224355.db2.gz YPOAPRLZIWERDU-SECBINFHSA-N 1 2 237.303 0.922 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345381652 354646465 /nfs/dbraw/zinc/64/64/65/354646465.db2.gz OEJUJLOLKMCERO-JGVFFNPUSA-N 1 2 236.262 0.382 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1CCC1 ZINC000345398566 354649302 /nfs/dbraw/zinc/64/93/02/354649302.db2.gz KRLJVKLNJSNUCU-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC1 ZINC000345420461 354653289 /nfs/dbraw/zinc/65/32/89/354653289.db2.gz VONJGOSKKAZFAN-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCn1cc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000345375928 354657249 /nfs/dbraw/zinc/65/72/49/354657249.db2.gz NGYWECYVIPUYMI-UHFFFAOYSA-N 1 2 232.243 0.678 20 0 BCADLO C[C@H](O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000345586192 354706940 /nfs/dbraw/zinc/70/69/40/354706940.db2.gz NPEUZRNKAXULLL-VIFPVBQESA-N 1 2 223.276 0.427 20 0 BCADLO COCC[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345750591 354751195 /nfs/dbraw/zinc/75/11/95/354751195.db2.gz AESPXYISWRLWLK-HTQZYQBOSA-N 1 2 236.262 0.525 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H]1C(F)F ZINC000345772641 354758123 /nfs/dbraw/zinc/75/81/23/354758123.db2.gz AKNGKEHGFXLUAG-DJLDLDEBSA-N 1 2 248.273 0.477 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H]1C(F)F ZINC000345772641 354758126 /nfs/dbraw/zinc/75/81/26/354758126.db2.gz AKNGKEHGFXLUAG-DJLDLDEBSA-N 1 2 248.273 0.477 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCOCC(F)F ZINC000345775749 354759526 /nfs/dbraw/zinc/75/95/26/354759526.db2.gz REPQSZUSDWAMOV-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCOCC(F)F ZINC000345775749 354759527 /nfs/dbraw/zinc/75/95/27/354759527.db2.gz REPQSZUSDWAMOV-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)C[C@@H]1F ZINC000335121816 354760214 /nfs/dbraw/zinc/76/02/14/354760214.db2.gz MHZAOWQVTSXMNN-GXSJLCMTSA-N 1 2 223.251 0.973 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000335122472 354761807 /nfs/dbraw/zinc/76/18/07/354761807.db2.gz FMDSOAKMLSYELW-DTWKUNHWSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000335122472 354761812 /nfs/dbraw/zinc/76/18/12/354761812.db2.gz FMDSOAKMLSYELW-DTWKUNHWSA-N 1 2 236.319 0.883 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@@](C)(F)C2)nc1=O ZINC000335134113 354781859 /nfs/dbraw/zinc/78/18/59/354781859.db2.gz OPKWABISXDKKPZ-SECBINFHSA-N 1 2 214.244 0.042 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@@](C)(F)C2)nc1=O ZINC000335134113 354781863 /nfs/dbraw/zinc/78/18/63/354781863.db2.gz OPKWABISXDKKPZ-SECBINFHSA-N 1 2 214.244 0.042 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000335134918 354783430 /nfs/dbraw/zinc/78/34/30/354783430.db2.gz PIYIVIKXRMBRGS-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000335134918 354783432 /nfs/dbraw/zinc/78/34/32/354783432.db2.gz PIYIVIKXRMBRGS-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO C[C@@H]1CCN(C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000345701890 354738329 /nfs/dbraw/zinc/73/83/29/354738329.db2.gz XSFLGFPRVYMZIK-RKDXNWHRSA-N 1 2 208.265 0.845 20 0 BCADLO Cn1cc[nH+]c1Cn1nnnc1-c1ccccn1 ZINC000345928001 354809827 /nfs/dbraw/zinc/80/98/27/354809827.db2.gz KPSRRVBKPZRRMY-UHFFFAOYSA-N 1 2 241.258 0.517 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000345885786 354797633 /nfs/dbraw/zinc/79/76/33/354797633.db2.gz RGIPLXARRQZUHS-IVZWLZJFSA-N 1 2 242.319 0.442 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)O ZINC000345993123 354835345 /nfs/dbraw/zinc/83/53/45/354835345.db2.gz ZSORPEXKDAFOIQ-SECBINFHSA-N 1 2 225.292 0.536 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000234541932 363423407 /nfs/dbraw/zinc/42/34/07/363423407.db2.gz WFDACVXQUGGPFD-VHSXEESVSA-N 1 2 213.277 0.707 20 0 BCADLO COC(=O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000234505611 363424184 /nfs/dbraw/zinc/42/41/84/363424184.db2.gz KUJWKORCPWMEIA-VIFPVBQESA-N 1 2 215.249 0.091 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000234568474 363424934 /nfs/dbraw/zinc/42/49/34/363424934.db2.gz FFLKCHJTMJSBLH-VHSXEESVSA-N 1 2 215.293 0.545 20 0 BCADLO CCOC(=O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233648701 363404899 /nfs/dbraw/zinc/40/48/99/363404899.db2.gz UXUVPEHUOBEQRX-SNVBAGLBSA-N 1 2 229.276 0.481 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233741852 363407697 /nfs/dbraw/zinc/40/76/97/363407697.db2.gz PBBJBQGJDLCFQC-PSASIEDQSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1nncs1 ZINC000530183250 324514579 /nfs/dbraw/zinc/51/45/79/324514579.db2.gz OGHJREDVJHQTNS-UHFFFAOYSA-N 1 2 237.288 0.555 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccns2)C1 ZINC000639221552 354892090 /nfs/dbraw/zinc/89/20/90/354892090.db2.gz FNWLEYIXXGLNAW-QMMMGPOBSA-N 1 2 214.290 0.336 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccns2)C1 ZINC000639221552 354892094 /nfs/dbraw/zinc/89/20/94/354892094.db2.gz FNWLEYIXXGLNAW-QMMMGPOBSA-N 1 2 214.290 0.336 20 0 BCADLO O=C(NC[C@H]1CCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346332866 354899281 /nfs/dbraw/zinc/89/92/81/354899281.db2.gz NGWMLBNMEIYQHQ-ZJUUUORDSA-N 1 2 249.314 0.982 20 0 BCADLO O=C(NC[C@H]1CCOC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000346332866 354899285 /nfs/dbraw/zinc/89/92/85/354899285.db2.gz NGWMLBNMEIYQHQ-ZJUUUORDSA-N 1 2 249.314 0.982 20 0 BCADLO CC1(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000346389045 354907931 /nfs/dbraw/zinc/90/79/31/354907931.db2.gz RQMDGHFULAEWGS-NSHDSACASA-N 1 2 237.347 0.293 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+][C@@H]1[C@@H]1CCOC1 ZINC000335162162 354914389 /nfs/dbraw/zinc/91/43/89/354914389.db2.gz PLJITBSUAZJDKA-BDAKNGLRSA-N 1 2 212.293 0.579 20 0 BCADLO COc1ncc(C[N@@H+]2CCOC[C@H](O)C2)s1 ZINC000639223080 354925869 /nfs/dbraw/zinc/92/58/69/354925869.db2.gz ONYKIUPJXTZQJW-MRVPVSSYSA-N 1 2 244.316 0.345 20 0 BCADLO COc1ncc(C[N@H+]2CCOC[C@H](O)C2)s1 ZINC000639223080 354925873 /nfs/dbraw/zinc/92/58/73/354925873.db2.gz ONYKIUPJXTZQJW-MRVPVSSYSA-N 1 2 244.316 0.345 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000346444001 354940903 /nfs/dbraw/zinc/94/09/03/354940903.db2.gz AXIVRNNIHJSOIL-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000346444001 354940906 /nfs/dbraw/zinc/94/09/06/354940906.db2.gz AXIVRNNIHJSOIL-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@](F)(CO)C1)N1CCCC1 ZINC000335959158 134024305 /nfs/dbraw/zinc/02/43/05/134024305.db2.gz IEPXXWJNUHLUAD-LBPRGKRZSA-N 1 2 244.310 0.405 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)o1 ZINC000335178365 354949024 /nfs/dbraw/zinc/94/90/24/354949024.db2.gz LAYLBQGAAKDSMV-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)o1 ZINC000335178365 354949027 /nfs/dbraw/zinc/94/90/27/354949027.db2.gz LAYLBQGAAKDSMV-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000335178362 354949503 /nfs/dbraw/zinc/94/95/03/354949503.db2.gz LAYLBQGAAKDSMV-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000335178362 354949507 /nfs/dbraw/zinc/94/95/07/354949507.db2.gz LAYLBQGAAKDSMV-JTQLQIEISA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccoc1C[N@@H+](C)Cc1cnc(N)nc1N ZINC000639225672 355002993 /nfs/dbraw/zinc/00/29/93/355002993.db2.gz ZRKGBYQRWSKPOV-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO Cc1ccoc1C[N@H+](C)Cc1cnc(N)nc1N ZINC000639225672 355002996 /nfs/dbraw/zinc/00/29/96/355002996.db2.gz ZRKGBYQRWSKPOV-UHFFFAOYSA-N 1 2 247.302 0.835 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC[C@H]2CCCO2)CCOC1 ZINC000346576621 354999423 /nfs/dbraw/zinc/99/94/23/354999423.db2.gz SNSZTSNGJGWLQP-ZYHUDNBSSA-N 1 2 243.303 0.477 20 0 BCADLO C[C@H]1C[NH+](CCn2cccn2)C[C@H](C)S1=O ZINC000335205752 355041309 /nfs/dbraw/zinc/04/13/09/355041309.db2.gz IDEPEFRSPPHKEO-QWRGUYRKSA-N 1 2 241.360 0.724 20 0 BCADLO CCOCCNC(=O)COCc1[nH]cc[nH+]1 ZINC000346717886 355103374 /nfs/dbraw/zinc/10/33/74/355103374.db2.gz TWDBPCBZJTWGJM-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000346860669 355118795 /nfs/dbraw/zinc/11/87/95/355118795.db2.gz XYXQVTYIGFFLQX-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000346860669 355118797 /nfs/dbraw/zinc/11/87/97/355118797.db2.gz XYXQVTYIGFFLQX-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCCO[C@H](C)C1 ZINC000346859206 355118827 /nfs/dbraw/zinc/11/88/27/355118827.db2.gz WMRKUYCCMCFYOD-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCCO[C@H](C)C1 ZINC000346859206 355118828 /nfs/dbraw/zinc/11/88/28/355118828.db2.gz WMRKUYCCMCFYOD-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000346743135 355091082 /nfs/dbraw/zinc/09/10/82/355091082.db2.gz ZWMHOKMTDVYORR-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000346743135 355091086 /nfs/dbraw/zinc/09/10/86/355091086.db2.gz ZWMHOKMTDVYORR-JTQLQIEISA-N 1 2 243.351 0.311 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccco1 ZINC000335246170 355160608 /nfs/dbraw/zinc/16/06/08/355160608.db2.gz OLAMQNAHUOGLLO-VIFPVBQESA-N 1 2 244.316 0.604 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccco1 ZINC000335246170 355160612 /nfs/dbraw/zinc/16/06/12/355160612.db2.gz OLAMQNAHUOGLLO-VIFPVBQESA-N 1 2 244.316 0.604 20 0 BCADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000335247007 355162340 /nfs/dbraw/zinc/16/23/40/355162340.db2.gz UVVVZBPUVFUNIB-CMPLNLGQSA-N 1 2 226.320 0.969 20 0 BCADLO CC(C)C[N@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000335247007 355162345 /nfs/dbraw/zinc/16/23/45/355162345.db2.gz UVVVZBPUVFUNIB-CMPLNLGQSA-N 1 2 226.320 0.969 20 0 BCADLO C[C@@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000530327140 324581160 /nfs/dbraw/zinc/58/11/60/324581160.db2.gz HNCWWGYSESNOGF-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000346842001 355133209 /nfs/dbraw/zinc/13/32/09/355133209.db2.gz USTUTKDIQZPFHI-IUCAKERBSA-N 1 2 238.291 0.371 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000346842001 355133214 /nfs/dbraw/zinc/13/32/14/355133214.db2.gz USTUTKDIQZPFHI-IUCAKERBSA-N 1 2 238.291 0.371 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000346848257 355136637 /nfs/dbraw/zinc/13/66/37/355136637.db2.gz PZWRNCUOMYQEGT-YUMQZZPRSA-N 1 2 225.292 0.394 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000346848257 355136639 /nfs/dbraw/zinc/13/66/39/355136639.db2.gz PZWRNCUOMYQEGT-YUMQZZPRSA-N 1 2 225.292 0.394 20 0 BCADLO CC[C@](C)(C[NH+]1CC(S(=O)(=O)CC)C1)OC ZINC000639233634 355216478 /nfs/dbraw/zinc/21/64/78/355216478.db2.gz MUAVLCDAQISDPT-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1CN([C@@H](c2[nH+]ccn2C)C2CC2)CC(=O)N1 ZINC000639231859 355193843 /nfs/dbraw/zinc/19/38/43/355193843.db2.gz UVQWLCLOXJFKNQ-BXKDBHETSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@@H]1CN([C@H](c2[nH+]ccn2C)C2CC2)CC(=O)N1 ZINC000639231862 355194692 /nfs/dbraw/zinc/19/46/92/355194692.db2.gz UVQWLCLOXJFKNQ-SKDRFNHKSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259810 355199621 /nfs/dbraw/zinc/19/96/21/355199621.db2.gz UZWJNAGALNKQKE-URAGZPLESA-N 1 2 238.331 0.848 20 0 BCADLO C[C@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259810 355199624 /nfs/dbraw/zinc/19/96/24/355199624.db2.gz UZWJNAGALNKQKE-URAGZPLESA-N 1 2 238.331 0.848 20 0 BCADLO CO[C@@H](C[NH+]1CC(S(C)(=O)=O)C1)C1CC1 ZINC000639244278 355230888 /nfs/dbraw/zinc/23/08/88/355230888.db2.gz MTVWEVMXFSAQGE-JTQLQIEISA-N 1 2 233.333 0.140 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1nncn1C ZINC000347635118 355242595 /nfs/dbraw/zinc/24/25/95/355242595.db2.gz HEBBIFWRYCTIRF-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1nncn1C ZINC000347635118 355242600 /nfs/dbraw/zinc/24/26/00/355242600.db2.gz HEBBIFWRYCTIRF-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO CCOCC[N@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000113511592 355247179 /nfs/dbraw/zinc/24/71/79/355247179.db2.gz HBEAYDWCUNVUBU-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000113511592 355247185 /nfs/dbraw/zinc/24/71/85/355247185.db2.gz HBEAYDWCUNVUBU-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)cc(=O)[nH]1 ZINC000347586782 355247219 /nfs/dbraw/zinc/24/72/19/355247219.db2.gz ZHPAXHAKXHJZHF-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)cc(=O)[nH]1 ZINC000347586782 355247222 /nfs/dbraw/zinc/24/72/22/355247222.db2.gz ZHPAXHAKXHJZHF-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO CC(C)(CNc1cc(NC2CC2)nc[nH+]1)C(N)=O ZINC000413059012 191351048 /nfs/dbraw/zinc/35/10/48/191351048.db2.gz CXHUHPBHCQRCCD-UHFFFAOYSA-N 1 2 249.318 0.974 20 0 BCADLO CC(C)(CNc1cc(NC2CC2)[nH+]cn1)C(N)=O ZINC000413059012 191351051 /nfs/dbraw/zinc/35/10/51/191351051.db2.gz CXHUHPBHCQRCCD-UHFFFAOYSA-N 1 2 249.318 0.974 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000413441226 191383652 /nfs/dbraw/zinc/38/36/52/191383652.db2.gz BVEKUTMEKKDAAP-PSASIEDQSA-N 1 2 235.287 0.727 20 0 BCADLO Cn1[nH]c(C[NH2+]C2(c3ccccc3)CC2)nc1=O ZINC000347675289 355262829 /nfs/dbraw/zinc/26/28/29/355262829.db2.gz OFAZKQSVGKTBGZ-UHFFFAOYSA-N 1 2 244.298 0.887 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000413492259 191389094 /nfs/dbraw/zinc/38/90/94/191389094.db2.gz JCPMQSJDXZZZFX-ZJUUUORDSA-N 1 2 225.292 0.719 20 0 BCADLO CCc1ccc(C[N@H+](C)CC(N)=O)cn1 ZINC000347683691 355267678 /nfs/dbraw/zinc/26/76/78/355267678.db2.gz ZKYSGRJTRNUILP-UHFFFAOYSA-N 1 2 207.277 0.561 20 0 BCADLO CCc1ccc(C[N@@H+](C)CC(N)=O)cn1 ZINC000347683691 355267679 /nfs/dbraw/zinc/26/76/79/355267679.db2.gz ZKYSGRJTRNUILP-UHFFFAOYSA-N 1 2 207.277 0.561 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)CCOC)CCO1 ZINC000347596846 355250973 /nfs/dbraw/zinc/25/09/73/355250973.db2.gz BXZCVRZQBCWVCO-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)CCOC)CCO1 ZINC000347596846 355250977 /nfs/dbraw/zinc/25/09/77/355250977.db2.gz BXZCVRZQBCWVCO-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCN(C)C(=O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413233799 191364944 /nfs/dbraw/zinc/36/49/44/191364944.db2.gz QDXPQOOJRYCSNS-UHFFFAOYSA-N 1 2 249.318 0.941 20 0 BCADLO CCN(C)C(=O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413233799 191364947 /nfs/dbraw/zinc/36/49/47/191364947.db2.gz QDXPQOOJRYCSNS-UHFFFAOYSA-N 1 2 249.318 0.941 20 0 BCADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC(C)(O)C1 ZINC000639253618 355291969 /nfs/dbraw/zinc/29/19/69/355291969.db2.gz LKCMLBMODAGVML-JTQLQIEISA-N 1 2 221.304 0.938 20 0 BCADLO CC1(O)C[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000639253773 355292709 /nfs/dbraw/zinc/29/27/09/355292709.db2.gz QRRWSBLSNQIZDV-UHFFFAOYSA-N 1 2 231.246 0.715 20 0 BCADLO CC(C)(CN1CC(C)(O)C1)[NH+]1CCOCC1 ZINC000639253782 355293147 /nfs/dbraw/zinc/29/31/47/355293147.db2.gz QUNWSUHEEMRQDR-UHFFFAOYSA-N 1 2 228.336 0.164 20 0 BCADLO Cc1nn(C)c2ncc(C[NH+]3CC(C)(O)C3)cc12 ZINC000639254459 355293513 /nfs/dbraw/zinc/29/35/13/355293513.db2.gz VQJIMBKIODJKQH-UHFFFAOYSA-N 1 2 246.314 0.843 20 0 BCADLO COc1ncc(C[NH+]2CC(C)(CO)C2)s1 ZINC000639254972 355294979 /nfs/dbraw/zinc/29/49/79/355294979.db2.gz JASDCFOJVFDIGO-UHFFFAOYSA-N 1 2 228.317 0.966 20 0 BCADLO O[C@@H](Cn1cccn1)C[NH+]1CC(OC(F)F)C1 ZINC000414127535 191437790 /nfs/dbraw/zinc/43/77/90/191437790.db2.gz QEVGSCPDWLXSDW-MRVPVSSYSA-N 1 2 247.245 0.167 20 0 BCADLO CCN1CC[N@H+](CCC(=O)OC(C)C)CC1=O ZINC000348817826 355324677 /nfs/dbraw/zinc/32/46/77/355324677.db2.gz QCTDWRRZTFHPAY-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)OC(C)C)CC1=O ZINC000348817826 355324682 /nfs/dbraw/zinc/32/46/82/355324682.db2.gz QCTDWRRZTFHPAY-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO Cc1nnsc1C[NH+]1CC(CCO)C1 ZINC000639250518 355283214 /nfs/dbraw/zinc/28/32/14/355283214.db2.gz SJZHSYTWCJJZCX-UHFFFAOYSA-N 1 2 213.306 0.661 20 0 BCADLO CCn1ncnc1C[NH+]1CC2(C1)CCOCC2 ZINC000639252271 355286109 /nfs/dbraw/zinc/28/61/09/355286109.db2.gz CGEOCXKHXCOWPQ-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COCc1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398458034 355364139 /nfs/dbraw/zinc/36/41/39/355364139.db2.gz RAWTWLFTFTVUCR-UHFFFAOYSA-N 1 2 222.248 0.834 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000191211651 355349009 /nfs/dbraw/zinc/34/90/09/355349009.db2.gz LTECWDNAIOZGKC-SNVBAGLBSA-N 1 2 224.308 0.600 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000191211651 355349013 /nfs/dbraw/zinc/34/90/13/355349013.db2.gz LTECWDNAIOZGKC-SNVBAGLBSA-N 1 2 224.308 0.600 20 0 BCADLO C[C@H]1CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000349678221 355409214 /nfs/dbraw/zinc/40/92/14/355409214.db2.gz IGVNJEGTCWRDQD-UWVGGRQHSA-N 1 2 222.292 0.981 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccnc2[nH]cnc21 ZINC000349751287 355423535 /nfs/dbraw/zinc/42/35/35/355423535.db2.gz XQTZOSRHNMCWBR-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC(C)(C)O ZINC000349753727 355424277 /nfs/dbraw/zinc/42/42/77/355424277.db2.gz XRIXHHOVUKAYBY-UHFFFAOYSA-N 1 2 211.265 0.529 20 0 BCADLO c1c[nH]c(-c2noc(CCn3cc[nH+]c3)n2)n1 ZINC000349764445 355439140 /nfs/dbraw/zinc/43/91/40/355439140.db2.gz MZJJJEONERHEBW-UHFFFAOYSA-N 1 2 230.231 0.899 20 0 BCADLO Cc1cnn(CC(=O)Nc2cc[nH+]cc2C)c1 ZINC000335792580 355445166 /nfs/dbraw/zinc/44/51/66/355445166.db2.gz OMGFYWYQJFXTGE-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccn[nH]1 ZINC000335807489 355480368 /nfs/dbraw/zinc/48/03/68/355480368.db2.gz WHDBCCDSTNSJBU-SSDOTTSWSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccn[nH]1 ZINC000335807489 355480369 /nfs/dbraw/zinc/48/03/69/355480369.db2.gz WHDBCCDSTNSJBU-SSDOTTSWSA-N 1 2 231.259 0.420 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000335841424 355585424 /nfs/dbraw/zinc/58/54/24/355585424.db2.gz KLRBLEJQEDPODO-NEPJUHHUSA-N 1 2 236.315 0.638 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000335841424 355585428 /nfs/dbraw/zinc/58/54/28/355585428.db2.gz KLRBLEJQEDPODO-NEPJUHHUSA-N 1 2 236.315 0.638 20 0 BCADLO Nc1nc(N)c(CN2CCC[C@@H](F)C2)c[nH+]1 ZINC000639311813 355671673 /nfs/dbraw/zinc/67/16/73/355671673.db2.gz DULXYSHATBBVMI-MRVPVSSYSA-N 1 2 225.271 0.236 20 0 BCADLO CC[C@@](C)(C[NH2+]Cc1nnc(COC)[nH]1)OC ZINC000639309451 355665537 /nfs/dbraw/zinc/66/55/37/355665537.db2.gz AVRXSWPWCXVJOG-NSHDSACASA-N 1 2 242.323 0.856 20 0 BCADLO NC(=O)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000330470552 181205420 /nfs/dbraw/zinc/20/54/20/181205420.db2.gz MTSBSDHNKAAXDG-SECBINFHSA-N 1 2 236.275 0.799 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC(F)C1)CC2 ZINC000626431337 355735372 /nfs/dbraw/zinc/73/53/72/355735372.db2.gz PPDOVMRBTCAWNM-VIFPVBQESA-N 1 2 237.278 0.934 20 0 BCADLO Cc1ncc(C[N@H+]2CCN(C)C[C@H]2CO)s1 ZINC000639336347 355770880 /nfs/dbraw/zinc/77/08/80/355770880.db2.gz HPSYFGAOCYLWOH-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN(C)C[C@H]2CO)s1 ZINC000639336347 355770884 /nfs/dbraw/zinc/77/08/84/355770884.db2.gz HPSYFGAOCYLWOH-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639337481 355775657 /nfs/dbraw/zinc/77/56/57/355775657.db2.gz RTVRDJGTYYSBSI-LLVKDONJSA-N 1 2 224.304 0.696 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639337481 355775658 /nfs/dbraw/zinc/77/56/58/355775658.db2.gz RTVRDJGTYYSBSI-LLVKDONJSA-N 1 2 224.304 0.696 20 0 BCADLO CO[C@@](C)(C[NH2+]Cc1c[nH]nn1)C1CC1 ZINC000639342546 355784949 /nfs/dbraw/zinc/78/49/49/355784949.db2.gz XWFHJSGRYUTQBG-JTQLQIEISA-N 1 2 210.281 0.709 20 0 BCADLO CO[C@@](C)(C[NH2+]Cc1cn[nH]n1)C1CC1 ZINC000639342546 355784951 /nfs/dbraw/zinc/78/49/51/355784951.db2.gz XWFHJSGRYUTQBG-JTQLQIEISA-N 1 2 210.281 0.709 20 0 BCADLO OCc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000639342253 355784981 /nfs/dbraw/zinc/78/49/81/355784981.db2.gz TXKHCSQJJUVPBL-UHFFFAOYSA-N 1 2 218.260 0.587 20 0 BCADLO OCc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000639342253 355784984 /nfs/dbraw/zinc/78/49/84/355784984.db2.gz TXKHCSQJJUVPBL-UHFFFAOYSA-N 1 2 218.260 0.587 20 0 BCADLO OCc1ccc(C[NH2+]Cc2cn[nH]n2)cc1 ZINC000639342253 355784985 /nfs/dbraw/zinc/78/49/85/355784985.db2.gz TXKHCSQJJUVPBL-UHFFFAOYSA-N 1 2 218.260 0.587 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CCCF ZINC000632749630 355806631 /nfs/dbraw/zinc/80/66/31/355806631.db2.gz DFOCBOBIXXLULA-UHFFFAOYSA-N 1 2 235.284 0.531 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000191774248 355848227 /nfs/dbraw/zinc/84/82/27/355848227.db2.gz RXZFBULASKILEL-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000191774248 355848231 /nfs/dbraw/zinc/84/82/31/355848231.db2.gz RXZFBULASKILEL-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO CCOC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623254480 355854786 /nfs/dbraw/zinc/85/47/86/355854786.db2.gz CUVWGTRMFJMLOQ-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(Cc1cscn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254574 355855570 /nfs/dbraw/zinc/85/55/70/355855570.db2.gz KBYPLIGEOIUSNH-MRVPVSSYSA-N 1 2 248.311 0.623 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255510 355859915 /nfs/dbraw/zinc/85/99/15/355859915.db2.gz JLONMFUASWZKMJ-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000336034274 134058985 /nfs/dbraw/zinc/05/89/85/134058985.db2.gz XVAXFWLYAFIPSV-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000336034274 134058986 /nfs/dbraw/zinc/05/89/86/134058986.db2.gz XVAXFWLYAFIPSV-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336054553 134065990 /nfs/dbraw/zinc/06/59/90/134065990.db2.gz CEIJHHWKPYZDLN-IUCAKERBSA-N 1 2 237.303 0.669 20 0 BCADLO NC(=O)CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000360120457 181218663 /nfs/dbraw/zinc/21/86/63/181218663.db2.gz VYYMUVMZJXUEJV-UHFFFAOYSA-N 1 2 244.254 0.891 20 0 BCADLO COc1cccc(C[NH2+]C2(C)COC2)n1 ZINC000639381119 355918087 /nfs/dbraw/zinc/91/80/87/355918087.db2.gz PYDVZSJLYXGFOJ-UHFFFAOYSA-N 1 2 208.261 0.969 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2ccon2)CC1 ZINC000077266405 181219595 /nfs/dbraw/zinc/21/95/95/181219595.db2.gz LOGWOLRVEVTDFO-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO NC(=O)CCSCc1ccc[nH+]c1N ZINC000399273325 355884295 /nfs/dbraw/zinc/88/42/95/355884295.db2.gz XEHFVAFRVDVCPJ-UHFFFAOYSA-N 1 2 211.290 0.772 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCCO1 ZINC000336048878 134064214 /nfs/dbraw/zinc/06/42/14/134064214.db2.gz FAARVKHNILGMSQ-MRVPVSSYSA-N 1 2 221.260 0.994 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000309061558 355984441 /nfs/dbraw/zinc/98/44/41/355984441.db2.gz WFTTVJSSLGPDBB-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000309061558 355984448 /nfs/dbraw/zinc/98/44/48/355984448.db2.gz WFTTVJSSLGPDBB-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351403122 355985139 /nfs/dbraw/zinc/98/51/39/355985139.db2.gz XDCNFUVGYHAAQG-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000351403122 355985141 /nfs/dbraw/zinc/98/51/41/355985141.db2.gz XDCNFUVGYHAAQG-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO CCOCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000309065926 355990184 /nfs/dbraw/zinc/99/01/84/355990184.db2.gz ZJLWIICXEYXENJ-NSHDSACASA-N 1 2 215.293 0.954 20 0 BCADLO Cn1nnc(C[NH2+]Cc2ccccc2)n1 ZINC000166994831 355952039 /nfs/dbraw/zinc/95/20/39/355952039.db2.gz BJMZEYKNZYKVMH-UHFFFAOYSA-N 1 2 203.249 0.500 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201955 181230416 /nfs/dbraw/zinc/23/04/16/181230416.db2.gz PZPHKRCTSYTNPN-SVRRBLITSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201955 181230418 /nfs/dbraw/zinc/23/04/18/181230418.db2.gz PZPHKRCTSYTNPN-SVRRBLITSA-N 1 2 240.225 0.249 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(F)c[nH]1 ZINC000623257048 356025427 /nfs/dbraw/zinc/02/54/27/356025427.db2.gz AZKLATLKFMEPCS-MRVPVSSYSA-N 1 2 234.234 0.705 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCc3n[nH]nc3C2)n1 ZINC000351613529 356028568 /nfs/dbraw/zinc/02/85/68/356028568.db2.gz AUQVAGUKABDYJO-UHFFFAOYSA-N 1 2 248.290 0.487 20 0 BCADLO Cc1noc(CCC[N@H+]2CCc3n[nH]nc3C2)n1 ZINC000351613529 356028571 /nfs/dbraw/zinc/02/85/71/356028571.db2.gz AUQVAGUKABDYJO-UHFFFAOYSA-N 1 2 248.290 0.487 20 0 BCADLO Cc1cc(NC(=O)Cc2cncnc2)cc[nH+]1 ZINC000351738564 356076639 /nfs/dbraw/zinc/07/66/39/356076639.db2.gz RCKVLPNNTBDDJE-UHFFFAOYSA-N 1 2 228.255 0.783 20 0 BCADLO CCOCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623258682 356085526 /nfs/dbraw/zinc/08/55/26/356085526.db2.gz ARTHNKTZAZBQHF-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623258906 356086723 /nfs/dbraw/zinc/08/67/23/356086723.db2.gz JRFXAHBJXQIHKM-BTQIBKBOSA-N 1 2 249.314 0.738 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cncs1 ZINC000623259658 356089210 /nfs/dbraw/zinc/08/92/10/356089210.db2.gz HETDFOSJRXGIIG-SSDOTTSWSA-N 1 2 234.284 0.694 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cncs1 ZINC000623259659 356089841 /nfs/dbraw/zinc/08/98/41/356089841.db2.gz HETDFOSJRXGIIG-ZETCQYMHSA-N 1 2 234.284 0.694 20 0 BCADLO CC[C@@](C)(OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259692 356090851 /nfs/dbraw/zinc/09/08/51/356090851.db2.gz IJLLQONGYVIYIJ-JOYOIKCWSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632803565 356092479 /nfs/dbraw/zinc/09/24/79/356092479.db2.gz HBLRPDUFJPLTBZ-PHIMTYICSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CO1 ZINC000623261500 356152364 /nfs/dbraw/zinc/15/23/64/356152364.db2.gz UOXBGDBARPBNDP-UTLUCORTSA-N 1 2 235.287 0.349 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353179091 181252452 /nfs/dbraw/zinc/25/24/52/181252452.db2.gz YLRXPMDENLHDPO-ZCFIWIBFSA-N 1 2 235.234 0.301 20 0 BCADLO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353179091 181252453 /nfs/dbraw/zinc/25/24/53/181252453.db2.gz YLRXPMDENLHDPO-ZCFIWIBFSA-N 1 2 235.234 0.301 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1O ZINC000351907228 356179168 /nfs/dbraw/zinc/17/91/68/356179168.db2.gz LTEHVVOWXJVLBG-MWLCHTKSSA-N 1 2 245.282 0.787 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262030 356161957 /nfs/dbraw/zinc/16/19/57/356161957.db2.gz LLJBYTKZELJTQY-XKSSXDPKSA-N 1 2 205.261 0.580 20 0 BCADLO CO[C@@H](C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262163 356162859 /nfs/dbraw/zinc/16/28/59/356162859.db2.gz QMJSUMLSJCWWFQ-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCOC1 ZINC000623262262 356163478 /nfs/dbraw/zinc/16/34/78/356163478.db2.gz VGMOQOVKICVHFS-SKDRFNHKSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCOC1 ZINC000623262260 356164110 /nfs/dbraw/zinc/16/41/10/356164110.db2.gz VGMOQOVKICVHFS-CABZTGNLSA-N 1 2 235.287 0.351 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000623262538 356170141 /nfs/dbraw/zinc/17/01/41/356170141.db2.gz FNBQYQVXDDXVOR-KLHWPWHYSA-N 1 2 247.298 0.349 20 0 BCADLO CC(C)(C)OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262832 356172701 /nfs/dbraw/zinc/17/27/01/356172701.db2.gz RHNAPNCELQRXKX-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cscn1 ZINC000623262729 356174876 /nfs/dbraw/zinc/17/48/76/356174876.db2.gz NILVRBXPCMAZOL-SSDOTTSWSA-N 1 2 234.284 0.694 20 0 BCADLO NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000194621646 181251798 /nfs/dbraw/zinc/25/17/98/181251798.db2.gz LGPOXECSHAZFGL-UHFFFAOYSA-N 1 2 249.314 0.762 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000639436403 356213598 /nfs/dbraw/zinc/21/35/98/356213598.db2.gz HEAGQPWQCSJLEA-UHFFFAOYSA-N 1 2 244.245 0.735 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435147 356214294 /nfs/dbraw/zinc/21/42/94/356214294.db2.gz XFHGUWAOXJZHNI-CMPLNLGQSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435147 356214295 /nfs/dbraw/zinc/21/42/95/356214295.db2.gz XFHGUWAOXJZHNI-CMPLNLGQSA-N 1 2 238.331 0.861 20 0 BCADLO OCC[N@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000639451006 356235662 /nfs/dbraw/zinc/23/56/62/356235662.db2.gz HUMMIJVFPQUDHO-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO OCC[N@@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000639451006 356235664 /nfs/dbraw/zinc/23/56/64/356235664.db2.gz HUMMIJVFPQUDHO-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCS1 ZINC000623263997 356228550 /nfs/dbraw/zinc/22/85/50/356228550.db2.gz CKEFLYXOZJYGHN-WCBMZHEXSA-N 1 2 237.328 0.820 20 0 BCADLO O=C(Cc1ccco1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264833 356230225 /nfs/dbraw/zinc/23/02/25/356230225.db2.gz VFPGBGVIBYZWRM-VIFPVBQESA-N 1 2 231.255 0.760 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263104 356198336 /nfs/dbraw/zinc/19/83/36/356198336.db2.gz BZZWCAYGWRZGAR-BXKDBHETSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000623263488 356201772 /nfs/dbraw/zinc/20/17/72/356201772.db2.gz OMUDPQVUTLEWLB-WCBMZHEXSA-N 1 2 221.260 0.103 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263684 356201811 /nfs/dbraw/zinc/20/18/11/356201811.db2.gz UHKUUZSWPIEHCF-GXSJLCMTSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnco1 ZINC000623263861 356205194 /nfs/dbraw/zinc/20/51/94/356205194.db2.gz ZRASQCHHSMFYNU-ZETCQYMHSA-N 1 2 218.216 0.226 20 0 BCADLO CCCN1CC(=O)N[C@@H]1c1c[nH+]cn1CC ZINC000639422765 356206099 /nfs/dbraw/zinc/20/60/99/356206099.db2.gz BCHROOASOVWDSO-NSHDSACASA-N 1 2 222.292 0.743 20 0 BCADLO C[N@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639469510 356255785 /nfs/dbraw/zinc/25/57/85/356255785.db2.gz PUZWUWCQFCNBDZ-UHFFFAOYSA-N 1 2 211.265 0.446 20 0 BCADLO C[N@@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639469510 356255789 /nfs/dbraw/zinc/25/57/89/356255789.db2.gz PUZWUWCQFCNBDZ-UHFFFAOYSA-N 1 2 211.265 0.446 20 0 BCADLO C[N@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639471017 356259856 /nfs/dbraw/zinc/25/98/56/356259856.db2.gz YJCRAVBMQNKSAO-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO C[N@@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639471017 356259858 /nfs/dbraw/zinc/25/98/58/356259858.db2.gz YJCRAVBMQNKSAO-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639474759 356268940 /nfs/dbraw/zinc/26/89/40/356268940.db2.gz XHHYWTYIGOGGLZ-SNVBAGLBSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639474759 356268943 /nfs/dbraw/zinc/26/89/43/356268943.db2.gz XHHYWTYIGOGGLZ-SNVBAGLBSA-N 1 2 212.293 0.566 20 0 BCADLO CCOCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267018 356321965 /nfs/dbraw/zinc/32/19/65/356321965.db2.gz IWVSAYSGQSFZPC-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CCCCOCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265297 356292906 /nfs/dbraw/zinc/29/29/06/356292906.db2.gz BHBOKNOQIKHGFA-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccn1)[C@@H]1CCOC1 ZINC000639483317 356297938 /nfs/dbraw/zinc/29/79/38/356297938.db2.gz SQMMLEVATNMLPW-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccn1)[C@@H]1CCOC1 ZINC000639483317 356297939 /nfs/dbraw/zinc/29/79/39/356297939.db2.gz SQMMLEVATNMLPW-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO CCN1CC(=O)N[C@@H]1c1c[nH+]cn1C(C)C ZINC000333617195 356299976 /nfs/dbraw/zinc/29/99/76/356299976.db2.gz SWZGNPAPASBZAW-NSHDSACASA-N 1 2 222.292 0.914 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617736993 356304128 /nfs/dbraw/zinc/30/41/28/356304128.db2.gz BMCGSWAFEHFIHB-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617736993 356304130 /nfs/dbraw/zinc/30/41/30/356304130.db2.gz BMCGSWAFEHFIHB-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000639488747 356305497 /nfs/dbraw/zinc/30/54/97/356305497.db2.gz LPDAUZITIAUQQY-JTQLQIEISA-N 1 2 210.277 0.318 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000639488747 356305499 /nfs/dbraw/zinc/30/54/99/356305499.db2.gz LPDAUZITIAUQQY-JTQLQIEISA-N 1 2 210.277 0.318 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)[C@H](C)CO1 ZINC000617745013 356306552 /nfs/dbraw/zinc/30/65/52/356306552.db2.gz DVTJBFJDVYESSM-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)[C@H](C)CO1 ZINC000617745013 356306554 /nfs/dbraw/zinc/30/65/54/356306554.db2.gz DVTJBFJDVYESSM-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO COC[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639499768 356328501 /nfs/dbraw/zinc/32/85/01/356328501.db2.gz LWGABGZXFHWFDX-LBPRGKRZSA-N 1 2 237.303 0.366 20 0 BCADLO COC[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639499768 356328504 /nfs/dbraw/zinc/32/85/04/356328504.db2.gz LWGABGZXFHWFDX-LBPRGKRZSA-N 1 2 237.303 0.366 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc[nH]c1 ZINC000623267285 356319020 /nfs/dbraw/zinc/31/90/20/356319020.db2.gz ONMRSYOTCBRSED-SECBINFHSA-N 1 2 216.244 0.566 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639494531 356319780 /nfs/dbraw/zinc/31/97/80/356319780.db2.gz ITGJOKWGZNBVGO-SNVBAGLBSA-N 1 2 237.303 0.836 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639494531 356319783 /nfs/dbraw/zinc/31/97/83/356319783.db2.gz ITGJOKWGZNBVGO-SNVBAGLBSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269104 356367688 /nfs/dbraw/zinc/36/76/88/356367688.db2.gz AVCQNBGRNFCBFO-PSASIEDQSA-N 1 2 223.276 0.349 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)C[C@@H](C)O ZINC000352185691 134099079 /nfs/dbraw/zinc/09/90/79/134099079.db2.gz FNWJYPFTNXOJMK-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)C[C@@H](C)O ZINC000352185691 134099080 /nfs/dbraw/zinc/09/90/80/134099080.db2.gz FNWJYPFTNXOJMK-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270473 356385210 /nfs/dbraw/zinc/38/52/10/356385210.db2.gz HGJHGNVZUOLEBM-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000352625916 356391576 /nfs/dbraw/zinc/39/15/76/356391576.db2.gz KOBCIEDTQISUHI-JTQLQIEISA-N 1 2 249.380 0.255 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000352625916 356391577 /nfs/dbraw/zinc/39/15/77/356391577.db2.gz KOBCIEDTQISUHI-JTQLQIEISA-N 1 2 249.380 0.255 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)C[C@H](C)O ZINC000352194117 134098461 /nfs/dbraw/zinc/09/84/61/134098461.db2.gz HYHXKDNNUFCZNE-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)C[C@H](C)O ZINC000352194117 134098462 /nfs/dbraw/zinc/09/84/62/134098462.db2.gz HYHXKDNNUFCZNE-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO Cn1cccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623277017 356417893 /nfs/dbraw/zinc/41/78/93/356417893.db2.gz PSULDEAOSBFJAK-VIFPVBQESA-N 1 2 230.271 0.576 20 0 BCADLO Cc1nnsc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278909 356427381 /nfs/dbraw/zinc/42/73/81/356427381.db2.gz HCADJYALARDMTG-SSDOTTSWSA-N 1 2 249.299 0.398 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623273745 356402681 /nfs/dbraw/zinc/40/26/81/356402681.db2.gz XSXCSOLBFMEYBU-RKDXNWHRSA-N 1 2 223.276 0.349 20 0 BCADLO c1nc2n(n1)[C@H](C[N@@H+]1CCc3cn[nH]c3C1)CC2 ZINC000639545275 356406770 /nfs/dbraw/zinc/40/67/70/356406770.db2.gz SPWCCOBVZFZWAJ-JTQLQIEISA-N 1 2 244.302 0.547 20 0 BCADLO c1nc2n(n1)[C@H](C[N@H+]1CCc3cn[nH]c3C1)CC2 ZINC000639545275 356406771 /nfs/dbraw/zinc/40/67/71/356406771.db2.gz SPWCCOBVZFZWAJ-JTQLQIEISA-N 1 2 244.302 0.547 20 0 BCADLO CC[N@@H+](Cc1nc(COC)no1)C[C@@H](C)O ZINC000352212921 134108141 /nfs/dbraw/zinc/10/81/41/134108141.db2.gz SDVBGHKRHGZMLD-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1nc(COC)no1)C[C@@H](C)O ZINC000352212921 134108142 /nfs/dbraw/zinc/10/81/42/134108142.db2.gz SDVBGHKRHGZMLD-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nncn1C ZINC000190254460 356438023 /nfs/dbraw/zinc/43/80/23/356438023.db2.gz HFHDEFPAVXSMQM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nncn1C ZINC000190254460 356438028 /nfs/dbraw/zinc/43/80/28/356438028.db2.gz HFHDEFPAVXSMQM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CNC(=O)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000420621752 192250389 /nfs/dbraw/zinc/25/03/89/192250389.db2.gz SHONJLSBVFYUIM-NSHDSACASA-N 1 2 248.330 0.974 20 0 BCADLO NC(=O)[C@H](NCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000361744961 181278869 /nfs/dbraw/zinc/27/88/69/181278869.db2.gz OQPSOTGIWCWQCY-LLVKDONJSA-N 1 2 248.261 0.865 20 0 BCADLO CC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000639582103 356502784 /nfs/dbraw/zinc/50/27/84/356502784.db2.gz QZQDMKHRVOKEAB-SECBINFHSA-N 1 2 218.260 0.969 20 0 BCADLO CC(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000639588049 356506050 /nfs/dbraw/zinc/50/60/50/356506050.db2.gz NOQCTPBAISPABL-PSASIEDQSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000639588049 356506055 /nfs/dbraw/zinc/50/60/55/356506055.db2.gz NOQCTPBAISPABL-PSASIEDQSA-N 1 2 201.266 0.047 20 0 BCADLO CCN1CC[N@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639584731 356506877 /nfs/dbraw/zinc/50/68/77/356506877.db2.gz ZUAQHBJCAIYSLG-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CCN1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639584731 356506879 /nfs/dbraw/zinc/50/68/79/356506879.db2.gz ZUAQHBJCAIYSLG-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000639616593 356533684 /nfs/dbraw/zinc/53/36/84/356533684.db2.gz BGIXZYPQGRIGOL-QJPTWQEYSA-N 1 2 227.304 0.844 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000639616593 356533689 /nfs/dbraw/zinc/53/36/89/356533689.db2.gz BGIXZYPQGRIGOL-QJPTWQEYSA-N 1 2 227.304 0.844 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958143 192280257 /nfs/dbraw/zinc/28/02/57/192280257.db2.gz OYFIDYOWPANAJE-ZJUUUORDSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958143 192280259 /nfs/dbraw/zinc/28/02/59/192280259.db2.gz OYFIDYOWPANAJE-ZJUUUORDSA-N 1 2 228.292 0.148 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](CO)[C@@H](O)C2)[nH+]c1C ZINC000639609839 356527713 /nfs/dbraw/zinc/52/77/13/356527713.db2.gz MJAGCMMIGBJOLY-MNOVXSKESA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)[nH]c1C ZINC000639609839 356527715 /nfs/dbraw/zinc/52/77/15/356527715.db2.gz MJAGCMMIGBJOLY-MNOVXSKESA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)[nH]c1C ZINC000639609839 356527721 /nfs/dbraw/zinc/52/77/21/356527721.db2.gz MJAGCMMIGBJOLY-MNOVXSKESA-N 1 2 239.319 0.202 20 0 BCADLO CC1(C)CO[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)C1 ZINC000639608561 356530439 /nfs/dbraw/zinc/53/04/39/356530439.db2.gz GABUHGIYQAZDJY-SECBINFHSA-N 1 2 236.319 0.978 20 0 BCADLO CC1(C)CO[C@@H](C[N@H+]2CCc3nn[nH]c3C2)C1 ZINC000639608561 356530441 /nfs/dbraw/zinc/53/04/41/356530441.db2.gz GABUHGIYQAZDJY-SECBINFHSA-N 1 2 236.319 0.978 20 0 BCADLO COc1ccccc1[C@@H](CO)[NH2+]CC(C)=O ZINC000639597512 356515582 /nfs/dbraw/zinc/51/55/82/356515582.db2.gz KUBOEWDPRHKOKB-LLVKDONJSA-N 1 2 223.272 0.907 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cnccn1 ZINC000639597834 356516802 /nfs/dbraw/zinc/51/68/02/356516802.db2.gz GOJAFSBIGCLZPL-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cnccn1 ZINC000639597834 356516804 /nfs/dbraw/zinc/51/68/04/356516804.db2.gz GOJAFSBIGCLZPL-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO CC(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000639618892 356535999 /nfs/dbraw/zinc/53/59/99/356535999.db2.gz GVQLENXLFPDPSI-UHFFFAOYSA-N 1 2 224.264 0.210 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000639621350 356541389 /nfs/dbraw/zinc/54/13/89/356541389.db2.gz JTDONNIWGZBIPE-GHMZBOCLSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000639621350 356541390 /nfs/dbraw/zinc/54/13/90/356541390.db2.gz JTDONNIWGZBIPE-GHMZBOCLSA-N 1 2 213.277 0.455 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000449785273 202034113 /nfs/dbraw/zinc/03/41/13/202034113.db2.gz FIDQLMAPXJHFCB-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000449785273 202034115 /nfs/dbraw/zinc/03/41/15/202034115.db2.gz FIDQLMAPXJHFCB-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000449786589 202036900 /nfs/dbraw/zinc/03/69/00/202036900.db2.gz OWLVSDIYGMBYQP-GFCCVEGCSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000449786589 202036902 /nfs/dbraw/zinc/03/69/02/202036902.db2.gz OWLVSDIYGMBYQP-GFCCVEGCSA-N 1 2 249.358 0.888 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300770 356570556 /nfs/dbraw/zinc/57/05/56/356570556.db2.gz ZKHWWLNQIVUXRV-MWLCHTKSSA-N 1 2 237.303 0.331 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303748 356594764 /nfs/dbraw/zinc/59/47/64/356594764.db2.gz KFJWTIMEKFISDG-QMMMGPOBSA-N 1 2 223.276 0.085 20 0 BCADLO CC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000639673078 356589878 /nfs/dbraw/zinc/58/98/78/356589878.db2.gz MVQQEILKLPVINM-UHFFFAOYSA-N 1 2 207.277 0.757 20 0 BCADLO CC(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000639673078 356589880 /nfs/dbraw/zinc/58/98/80/356589880.db2.gz MVQQEILKLPVINM-UHFFFAOYSA-N 1 2 207.277 0.757 20 0 BCADLO CCC(=O)N1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639677784 356593648 /nfs/dbraw/zinc/59/36/48/356593648.db2.gz ILFGYHRUTAQATH-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO CCC(=O)N1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639677784 356593649 /nfs/dbraw/zinc/59/36/49/356593649.db2.gz ILFGYHRUTAQATH-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccncn1 ZINC000623303875 356594533 /nfs/dbraw/zinc/59/45/33/356594533.db2.gz MTONCUFXGHGXDZ-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO OCc1cc[nH+]c(N[C@@H]2CCOC[C@H]2O)c1 ZINC000630092734 363515704 /nfs/dbraw/zinc/51/57/04/363515704.db2.gz FBAZONXHEIEARS-NXEZZACHSA-N 1 2 224.260 0.136 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305461 356599281 /nfs/dbraw/zinc/59/92/81/356599281.db2.gz SEJPTCNZNGCZBP-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCOC1 ZINC000623305619 356600839 /nfs/dbraw/zinc/60/08/39/356600839.db2.gz WNGPPGHOKXLNMG-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000639692057 356601367 /nfs/dbraw/zinc/60/13/67/356601367.db2.gz BHGRWXUXPWSUFY-SNVBAGLBSA-N 1 2 215.318 0.783 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000639692057 356601369 /nfs/dbraw/zinc/60/13/69/356601369.db2.gz BHGRWXUXPWSUFY-SNVBAGLBSA-N 1 2 215.318 0.783 20 0 BCADLO CCN1[C@H](C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1C ZINC000639742781 356631739 /nfs/dbraw/zinc/63/17/39/356631739.db2.gz BYZBMMFESQEGKF-AXFHLTTASA-N 1 2 225.336 0.289 20 0 BCADLO CCN1[C@H](C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1C ZINC000639742781 356631742 /nfs/dbraw/zinc/63/17/42/356631742.db2.gz BYZBMMFESQEGKF-AXFHLTTASA-N 1 2 225.336 0.289 20 0 BCADLO CC[C@H](NC(=O)Cc1nnc(C)[nH]1)c1[nH]cc[nH+]1 ZINC000613579302 363523004 /nfs/dbraw/zinc/52/30/04/363523004.db2.gz LQJZWXNXQYEJAO-QMMMGPOBSA-N 1 2 248.290 0.646 20 0 BCADLO Cc1cc(NC[C@@]2(O)CCO[C@@H]2C)nc[nH+]1 ZINC000228010070 491099222 /nfs/dbraw/zinc/09/92/22/491099222.db2.gz SMJWVXPRYDQJIW-KOLCDFICSA-N 1 2 223.276 0.737 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc(CO)cc[nH+]1 ZINC000630095108 363545680 /nfs/dbraw/zinc/54/56/80/363545680.db2.gz SEVACXUCUWJFJL-MRVPVSSYSA-N 1 2 221.260 0.198 20 0 BCADLO CNc1nc(NC[C@@H](C)CO)[nH+]c2ccccc21 ZINC000450272114 202116197 /nfs/dbraw/zinc/11/61/97/202116197.db2.gz AEYDNRXMATZAKT-SECBINFHSA-N 1 2 246.314 0.556 20 0 BCADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1(CO)CC1 ZINC000617897856 356661995 /nfs/dbraw/zinc/66/19/95/356661995.db2.gz VJFGXUKSYCHQGI-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](O)C1 ZINC000303981344 356667529 /nfs/dbraw/zinc/66/75/29/356667529.db2.gz OZMYXTZEQDCKIR-NSHDSACASA-N 1 2 237.303 0.647 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C2CC2)C1 ZINC000582260124 356695025 /nfs/dbraw/zinc/69/50/25/356695025.db2.gz FMCUVFAMYKPMQZ-LBPRGKRZSA-N 1 2 249.314 0.600 20 0 BCADLO c1nn[nH]c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000450390878 202151297 /nfs/dbraw/zinc/15/12/97/202151297.db2.gz MOWIPBLKSRYUJF-GFCCVEGCSA-N 1 2 235.335 0.865 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172113 363564354 /nfs/dbraw/zinc/56/43/54/363564354.db2.gz LNNIUUCTGIZYHI-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172113 363564358 /nfs/dbraw/zinc/56/43/58/363564358.db2.gz LNNIUUCTGIZYHI-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCC[C@@H](O)C[N@H+](CCOC)CC(=O)OC ZINC000450408970 202158704 /nfs/dbraw/zinc/15/87/04/202158704.db2.gz WDXXJGKAGZQNRZ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCC[C@@H](O)C[N@@H+](CCOC)CC(=O)OC ZINC000450408970 202158706 /nfs/dbraw/zinc/15/87/06/202158706.db2.gz WDXXJGKAGZQNRZ-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623336504 356723873 /nfs/dbraw/zinc/72/38/73/356723873.db2.gz RMVDZHVTBDYBOM-SECBINFHSA-N 1 2 215.297 0.025 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623336504 356723875 /nfs/dbraw/zinc/72/38/75/356723875.db2.gz RMVDZHVTBDYBOM-SECBINFHSA-N 1 2 215.297 0.025 20 0 BCADLO CNc1nc(N[C@H](C)COC)[nH+]c2ccccc21 ZINC000450422622 202163852 /nfs/dbraw/zinc/16/38/52/202163852.db2.gz VLRZAXXBJDTWRG-SECBINFHSA-N 1 2 246.314 0.962 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777873 356724221 /nfs/dbraw/zinc/72/42/21/356724221.db2.gz NHUSTHNUXNKPDZ-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777873 356724225 /nfs/dbraw/zinc/72/42/25/356724225.db2.gz NHUSTHNUXNKPDZ-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO CC(C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623336505 356724412 /nfs/dbraw/zinc/72/44/12/356724412.db2.gz RMVDZHVTBDYBOM-VIFPVBQESA-N 1 2 215.297 0.025 20 0 BCADLO CC(C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623336505 356724417 /nfs/dbraw/zinc/72/44/17/356724417.db2.gz RMVDZHVTBDYBOM-VIFPVBQESA-N 1 2 215.297 0.025 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778006 356725226 /nfs/dbraw/zinc/72/52/26/356725226.db2.gz HTXRYFZJTYKUMD-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778006 356725232 /nfs/dbraw/zinc/72/52/32/356725232.db2.gz HTXRYFZJTYKUMD-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO CC(=O)C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639771949 356711504 /nfs/dbraw/zinc/71/15/04/356711504.db2.gz ISILUNPEKUDPJO-JTQLQIEISA-N 1 2 239.319 0.658 20 0 BCADLO C[NH+](C)Cc1nc(C[C@@H]2CCCO2)no1 ZINC000350531002 538665433 /nfs/dbraw/zinc/66/54/33/538665433.db2.gz CKAYCBHMPMMBDP-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO C[C@@H](CC(C)(C)O)NC(=O)CCn1cc[nH+]c1 ZINC000384770810 356744473 /nfs/dbraw/zinc/74/44/73/356744473.db2.gz RSTDKPIXNCPBRR-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO C[NH+]1CCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000623344341 356747312 /nfs/dbraw/zinc/74/73/12/356747312.db2.gz IGYGRHBCMFFYJU-UHFFFAOYSA-N 1 2 245.229 1.000 20 0 BCADLO COc1nc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000623344509 356748034 /nfs/dbraw/zinc/74/80/34/356748034.db2.gz PQJHNKRKPYGUIN-UHFFFAOYSA-N 1 2 225.248 0.071 20 0 BCADLO CC[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000355754638 356773535 /nfs/dbraw/zinc/77/35/35/356773535.db2.gz YEPJJCQRPIAABU-SNVBAGLBSA-N 1 2 225.292 0.240 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623362516 356810552 /nfs/dbraw/zinc/81/05/52/356810552.db2.gz WWYKQBRZXVNZGP-ZJUUUORDSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623362516 356810556 /nfs/dbraw/zinc/81/05/56/356810556.db2.gz WWYKQBRZXVNZGP-ZJUUUORDSA-N 1 2 229.324 0.415 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000639830911 356813181 /nfs/dbraw/zinc/81/31/81/356813181.db2.gz PORCZMRDHGNZQG-MNOVXSKESA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000639830911 356813183 /nfs/dbraw/zinc/81/31/83/356813183.db2.gz PORCZMRDHGNZQG-MNOVXSKESA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000639830910 356813208 /nfs/dbraw/zinc/81/32/08/356813208.db2.gz PORCZMRDHGNZQG-GHMZBOCLSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000639830910 356813210 /nfs/dbraw/zinc/81/32/10/356813210.db2.gz PORCZMRDHGNZQG-GHMZBOCLSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)CCO1 ZINC000639832112 356816951 /nfs/dbraw/zinc/81/69/51/356816951.db2.gz BKPDWQJOIYTNRE-LBPRGKRZSA-N 1 2 239.319 0.805 20 0 BCADLO CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)CCO1 ZINC000639832112 356816954 /nfs/dbraw/zinc/81/69/54/356816954.db2.gz BKPDWQJOIYTNRE-LBPRGKRZSA-N 1 2 239.319 0.805 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000639832229 356817531 /nfs/dbraw/zinc/81/75/31/356817531.db2.gz DMSBHPAXRDHOFS-NSHDSACASA-N 1 2 208.261 0.886 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000639832229 356817534 /nfs/dbraw/zinc/81/75/34/356817534.db2.gz DMSBHPAXRDHOFS-NSHDSACASA-N 1 2 208.261 0.886 20 0 BCADLO CO[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000639832218 356817554 /nfs/dbraw/zinc/81/75/54/356817554.db2.gz DJQASVZSOAJFFX-JTQLQIEISA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000639833805 356819984 /nfs/dbraw/zinc/81/99/84/356819984.db2.gz LXGRBMOIPLAPFQ-JTQLQIEISA-N 1 2 211.265 0.188 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000639836641 356822758 /nfs/dbraw/zinc/82/27/58/356822758.db2.gz LUFSOOQNEULFTG-ONGXEEELSA-N 1 2 238.291 0.070 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000639836641 356822759 /nfs/dbraw/zinc/82/27/59/356822759.db2.gz LUFSOOQNEULFTG-ONGXEEELSA-N 1 2 238.291 0.070 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000639836887 356823876 /nfs/dbraw/zinc/82/38/76/356823876.db2.gz KFYMESYJTUHJCN-SNVBAGLBSA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000639836887 356823878 /nfs/dbraw/zinc/82/38/78/356823878.db2.gz KFYMESYJTUHJCN-SNVBAGLBSA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000639835230 356825590 /nfs/dbraw/zinc/82/55/90/356825590.db2.gz BRXFUQWDEYGVFY-JTQLQIEISA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000639838433 356829260 /nfs/dbraw/zinc/82/92/60/356829260.db2.gz PVRPIWPTBQRUHW-SFYZADRCSA-N 1 2 243.225 0.604 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000639838433 356829261 /nfs/dbraw/zinc/82/92/61/356829261.db2.gz PVRPIWPTBQRUHW-SFYZADRCSA-N 1 2 243.225 0.604 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CCO1 ZINC000639838426 356829505 /nfs/dbraw/zinc/82/95/05/356829505.db2.gz PULUZVLVMQNLJN-ZDUSSCGKSA-N 1 2 237.299 0.984 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CCO1 ZINC000639838426 356829508 /nfs/dbraw/zinc/82/95/08/356829508.db2.gz PULUZVLVMQNLJN-ZDUSSCGKSA-N 1 2 237.299 0.984 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCO[C@H](OC)C1 ZINC000639840070 356831879 /nfs/dbraw/zinc/83/18/79/356831879.db2.gz VKLAVPRPKYVDAA-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1nccc1CC[N@H+]1CCO[C@H](OC)C1 ZINC000639840070 356831882 /nfs/dbraw/zinc/83/18/82/356831882.db2.gz VKLAVPRPKYVDAA-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356046221 356786058 /nfs/dbraw/zinc/78/60/58/356786058.db2.gz MQXVEMWWFUMYJD-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356046221 356786062 /nfs/dbraw/zinc/78/60/62/356786062.db2.gz MQXVEMWWFUMYJD-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H](C[N@H+](C)CCOCC1CC1)S(C)(=O)=O ZINC000450490253 202185614 /nfs/dbraw/zinc/18/56/14/202185614.db2.gz ZBONHQJGPYTEPB-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO CO[C@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000639838972 356833002 /nfs/dbraw/zinc/83/30/02/356833002.db2.gz XKCFKRNBHVOERB-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000639838972 356833004 /nfs/dbraw/zinc/83/30/04/356833004.db2.gz XKCFKRNBHVOERB-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO C[C@@H](C[N@@H+](C)CCOCC1CC1)S(C)(=O)=O ZINC000450490253 202185616 /nfs/dbraw/zinc/18/56/16/202185616.db2.gz ZBONHQJGPYTEPB-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345932 363569171 /nfs/dbraw/zinc/56/91/71/363569171.db2.gz XMQBJBHNABLCMR-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345932 363569174 /nfs/dbraw/zinc/56/91/74/363569174.db2.gz XMQBJBHNABLCMR-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H](O)[C@@H](C)[NH+]1CC(OCC(F)F)C1 ZINC000353017486 538731890 /nfs/dbraw/zinc/73/18/90/538731890.db2.gz XKJAUGDKZSGLSI-RNFRBKRXSA-N 1 2 209.236 0.722 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)NC1CC1 ZINC000054345787 363569291 /nfs/dbraw/zinc/56/92/91/363569291.db2.gz YVSPFHQJEYEQHG-GHMZBOCLSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)NC1CC1 ZINC000054345787 363569295 /nfs/dbraw/zinc/56/92/95/363569295.db2.gz YVSPFHQJEYEQHG-GHMZBOCLSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@@H]1O ZINC000281931382 538717055 /nfs/dbraw/zinc/71/70/55/538717055.db2.gz RMGKOFLIBHDBCP-QWRGUYRKSA-N 1 2 237.303 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000281931382 538717063 /nfs/dbraw/zinc/71/70/63/538717063.db2.gz RMGKOFLIBHDBCP-QWRGUYRKSA-N 1 2 237.303 0.762 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1c[nH+]c[nH]1 ZINC000359309405 356888077 /nfs/dbraw/zinc/88/80/77/356888077.db2.gz RAEAMQIHAOXFMW-UHFFFAOYSA-N 1 2 220.280 0.560 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1c[nH]c[nH+]1 ZINC000359309405 356888079 /nfs/dbraw/zinc/88/80/79/356888079.db2.gz RAEAMQIHAOXFMW-UHFFFAOYSA-N 1 2 220.280 0.560 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1[nH]cc[nH+]1 ZINC000359311426 356888365 /nfs/dbraw/zinc/88/83/65/356888365.db2.gz UIOFPCHOSRWTFJ-UHFFFAOYSA-N 1 2 220.280 0.560 20 0 BCADLO Cc1nc(C)c(C)c(N2CCOCCN2)[nH+]1 ZINC000450522560 202188787 /nfs/dbraw/zinc/18/87/87/202188787.db2.gz YEHCOLJQYHEMRZ-UHFFFAOYSA-N 1 2 222.292 0.743 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)C[C@H]1COCCO1 ZINC000450554404 202196526 /nfs/dbraw/zinc/19/65/26/202196526.db2.gz KTTLPYHEXOUQJW-VIFPVBQESA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)C[C@H]1COCCO1 ZINC000450554404 202196530 /nfs/dbraw/zinc/19/65/30/202196530.db2.gz KTTLPYHEXOUQJW-VIFPVBQESA-N 1 2 231.292 0.285 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000361327527 356927634 /nfs/dbraw/zinc/92/76/34/356927634.db2.gz YBBROZLRZOJRMS-JTQLQIEISA-N 1 2 238.335 0.960 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000361327527 356927635 /nfs/dbraw/zinc/92/76/35/356927635.db2.gz YBBROZLRZOJRMS-JTQLQIEISA-N 1 2 238.335 0.960 20 0 BCADLO CN(C(=O)C[N@H+](C)CC(N)=O)C1CCCCC1 ZINC000041623073 358513375 /nfs/dbraw/zinc/51/33/75/358513375.db2.gz SBUVYYPDBGCXBE-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO CN(C(=O)C[N@@H+](C)CC(N)=O)C1CCCCC1 ZINC000041623073 358513377 /nfs/dbraw/zinc/51/33/77/358513377.db2.gz SBUVYYPDBGCXBE-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO Cc1nc(N2CC[C@@H](F)C2)nc(N(C)C)[nH+]1 ZINC000450606539 202209897 /nfs/dbraw/zinc/20/98/97/202209897.db2.gz UNBMDYGEYYYRSI-MRVPVSSYSA-N 1 2 225.271 0.794 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@@H](F)C2)[nH+]1 ZINC000450606539 202209900 /nfs/dbraw/zinc/20/99/00/202209900.db2.gz UNBMDYGEYYYRSI-MRVPVSSYSA-N 1 2 225.271 0.794 20 0 BCADLO Cc1nc(N2CC[C@H](F)C2)nc(N(C)C)[nH+]1 ZINC000450606541 202210244 /nfs/dbraw/zinc/21/02/44/202210244.db2.gz UNBMDYGEYYYRSI-QMMMGPOBSA-N 1 2 225.271 0.794 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@H](F)C2)[nH+]1 ZINC000450606541 202210247 /nfs/dbraw/zinc/21/02/47/202210247.db2.gz UNBMDYGEYYYRSI-QMMMGPOBSA-N 1 2 225.271 0.794 20 0 BCADLO Cn1ccnc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000582310127 357048915 /nfs/dbraw/zinc/04/89/15/357048915.db2.gz ZYTQKFPNSZHFMV-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO Cn1ccnc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000582310127 357048918 /nfs/dbraw/zinc/04/89/18/357048918.db2.gz ZYTQKFPNSZHFMV-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CC/C=C\CCN1CC[N@H+](C)C[C@@H]1CO ZINC000639869334 357015192 /nfs/dbraw/zinc/01/51/92/357015192.db2.gz BCZHDLIGBBCXTJ-QMAVJUDZSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C\CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639869334 357015194 /nfs/dbraw/zinc/01/51/94/357015194.db2.gz BCZHDLIGBBCXTJ-QMAVJUDZSA-N 1 2 212.337 0.951 20 0 BCADLO CN(CC(C)(C)O)C(=O)Cn1cc[nH+]c1 ZINC000389705101 357016729 /nfs/dbraw/zinc/01/67/29/357016729.db2.gz KUBKKHWVMJLFLC-UHFFFAOYSA-N 1 2 211.265 0.112 20 0 BCADLO C[C@@H](CO)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000355233430 538790198 /nfs/dbraw/zinc/79/01/98/538790198.db2.gz HWPXIKOYYXUBEW-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@@H](CO)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000355233430 538790202 /nfs/dbraw/zinc/79/02/02/538790202.db2.gz HWPXIKOYYXUBEW-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000355255797 538791611 /nfs/dbraw/zinc/79/16/11/538791611.db2.gz MSLSIGJYRVJZGC-SCZZXKLOSA-N 1 2 223.276 0.461 20 0 BCADLO CCN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000022816143 357081406 /nfs/dbraw/zinc/08/14/06/357081406.db2.gz CKIBVAAUCGOYJE-LLVKDONJSA-N 1 2 225.336 0.293 20 0 BCADLO CN(C)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000390200388 357086020 /nfs/dbraw/zinc/08/60/20/357086020.db2.gz QKKKPVILWYQMAZ-UHFFFAOYSA-N 1 2 246.336 0.059 20 0 BCADLO C[C@H](CO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346832430 357160969 /nfs/dbraw/zinc/16/09/69/357160969.db2.gz ZYDIGPZOECIDSK-SFYZADRCSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@H](CO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000346832430 357160971 /nfs/dbraw/zinc/16/09/71/357160971.db2.gz ZYDIGPZOECIDSK-SFYZADRCSA-N 1 2 223.276 0.327 20 0 BCADLO COc1nc(C(=O)NC2C[NH+](C(C)C)C2)co1 ZINC000626516606 357163259 /nfs/dbraw/zinc/16/32/59/357163259.db2.gz WFEJIWICBBYTPX-UHFFFAOYSA-N 1 2 239.275 0.506 20 0 BCADLO Cc1cc(CNC(=O)CCc2c[nH+]c[nH]2)n(C)n1 ZINC000356010553 538806815 /nfs/dbraw/zinc/80/68/15/538806815.db2.gz IFWUMSPASIHSRB-UHFFFAOYSA-N 1 2 247.302 0.701 20 0 BCADLO Cc1cc(CNC(=O)CCc2c[nH]c[nH+]2)n(C)n1 ZINC000356010553 538806818 /nfs/dbraw/zinc/80/68/18/538806818.db2.gz IFWUMSPASIHSRB-UHFFFAOYSA-N 1 2 247.302 0.701 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000583689583 357120662 /nfs/dbraw/zinc/12/06/62/357120662.db2.gz AKJWKUKFJWNXKT-BDAKNGLRSA-N 1 2 211.265 0.977 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000583689583 357120664 /nfs/dbraw/zinc/12/06/64/357120664.db2.gz AKJWKUKFJWNXKT-BDAKNGLRSA-N 1 2 211.265 0.977 20 0 BCADLO C[N@H+](Cc1ncccc1O)[C@H]1CCNC1=O ZINC000582387363 357121168 /nfs/dbraw/zinc/12/11/68/357121168.db2.gz ULOLLRQOSMENSL-VIFPVBQESA-N 1 2 221.260 0.108 20 0 BCADLO C[N@@H+](Cc1ncccc1O)[C@H]1CCNC1=O ZINC000582387363 357121170 /nfs/dbraw/zinc/12/11/70/357121170.db2.gz ULOLLRQOSMENSL-VIFPVBQESA-N 1 2 221.260 0.108 20 0 BCADLO CC[C@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000356591337 538812819 /nfs/dbraw/zinc/81/28/19/538812819.db2.gz JAJCCWVQJCORAU-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000356591337 538812825 /nfs/dbraw/zinc/81/28/25/538812825.db2.gz JAJCCWVQJCORAU-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CCc1nc(NC(=O)C23CCC[NH+]2CCC3)n[nH]1 ZINC000377940698 357242686 /nfs/dbraw/zinc/24/26/86/357242686.db2.gz DKFJJVDLLDGPMW-UHFFFAOYSA-N 1 2 249.318 0.934 20 0 BCADLO CCc1n[nH]c(NC(=O)C23CCC[NH+]2CCC3)n1 ZINC000377940698 357242687 /nfs/dbraw/zinc/24/26/87/357242687.db2.gz DKFJJVDLLDGPMW-UHFFFAOYSA-N 1 2 249.318 0.934 20 0 BCADLO Cc1ccnc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000356757205 538815171 /nfs/dbraw/zinc/81/51/71/538815171.db2.gz ZRJLJIPIPBWKOA-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO O[C@H]1C[NH+](Cc2cscc2Cl)C[C@@H]1O ZINC000628414741 357230330 /nfs/dbraw/zinc/23/03/30/357230330.db2.gz IREFMLIGXJNFPB-IUCAKERBSA-N 1 2 233.720 0.939 20 0 BCADLO Cc1nnsc1C(=O)NCc1c[nH+]cn1C ZINC000356784590 538816438 /nfs/dbraw/zinc/81/64/38/538816438.db2.gz UUKGJHZQJZPYMZ-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC(C)(C)O ZINC000356803947 538817146 /nfs/dbraw/zinc/81/71/46/538817146.db2.gz WDVSTKWLUBDZST-UHFFFAOYSA-N 1 2 211.265 0.197 20 0 BCADLO CCN(CCCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000356528545 538810419 /nfs/dbraw/zinc/81/04/19/538810419.db2.gz FLJUTYGXNOBACI-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO CCN(CCCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000356528545 538810431 /nfs/dbraw/zinc/81/04/31/538810431.db2.gz FLJUTYGXNOBACI-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO COC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610212837 357281909 /nfs/dbraw/zinc/28/19/09/357281909.db2.gz KGMIDPBOQKAROT-UHFFFAOYSA-N 1 2 235.283 0.966 20 0 BCADLO COC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610212837 357281912 /nfs/dbraw/zinc/28/19/12/357281912.db2.gz KGMIDPBOQKAROT-UHFFFAOYSA-N 1 2 235.283 0.966 20 0 BCADLO O=[S@@]1CC[C@H](Nc2nc[nH+]c3c2CCC3)C1 ZINC000393740324 357295256 /nfs/dbraw/zinc/29/52/56/357295256.db2.gz AYWFWTJCKGLQCY-ZKANADHPSA-N 1 2 237.328 0.898 20 0 BCADLO Cc1[nH]nc(NC(=O)Cn2cc[nH+]c2)c1C ZINC000393839980 357303072 /nfs/dbraw/zinc/30/30/72/357303072.db2.gz QYGFVZGILXQHCN-UHFFFAOYSA-N 1 2 219.248 0.862 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCOCC(F)F ZINC000356980307 538822419 /nfs/dbraw/zinc/82/24/19/538822419.db2.gz SNMXKUVBFQXTMX-UHFFFAOYSA-N 1 2 247.245 0.740 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCOCC(F)F ZINC000356980307 538822425 /nfs/dbraw/zinc/82/24/25/538822425.db2.gz SNMXKUVBFQXTMX-UHFFFAOYSA-N 1 2 247.245 0.740 20 0 BCADLO Cc1cc(NC(=O)N2CC([C@H](C)O)C2)cc[nH+]1 ZINC000639901536 357306237 /nfs/dbraw/zinc/30/62/37/357306237.db2.gz XGOIAIRNPDBOOM-VIFPVBQESA-N 1 2 235.287 0.656 20 0 BCADLO Cc1cc(NC(=O)N2CC([C@@H](C)O)C2)cc[nH+]1 ZINC000639901535 357306305 /nfs/dbraw/zinc/30/63/05/357306305.db2.gz XGOIAIRNPDBOOM-SECBINFHSA-N 1 2 235.287 0.656 20 0 BCADLO CC[N@H+](CCOC[C@H]1CCCO1)CC(=O)OC ZINC000610161314 357263140 /nfs/dbraw/zinc/26/31/40/357263140.db2.gz IHMWWVXSQLWRJO-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@@H+](CCOC[C@H]1CCCO1)CC(=O)OC ZINC000610161314 357263146 /nfs/dbraw/zinc/26/31/46/357263146.db2.gz IHMWWVXSQLWRJO-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1nc(C)no1 ZINC000050065138 357311190 /nfs/dbraw/zinc/31/11/90/357311190.db2.gz UQDNSCDNDUHCGK-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1nc(C)no1 ZINC000050065138 357311196 /nfs/dbraw/zinc/31/11/96/357311196.db2.gz UQDNSCDNDUHCGK-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1nnc(C)o1 ZINC000050065144 357311598 /nfs/dbraw/zinc/31/15/98/357311598.db2.gz FHHJVQNSXTVKJU-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1nnc(C)o1 ZINC000050065144 357311599 /nfs/dbraw/zinc/31/15/99/357311599.db2.gz FHHJVQNSXTVKJU-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nnc(C)o1 ZINC000050067850 357312020 /nfs/dbraw/zinc/31/20/20/357312020.db2.gz NCHVZCGVINWBLF-UHFFFAOYSA-N 1 2 213.237 0.373 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nnc(C)o1 ZINC000050067850 357312022 /nfs/dbraw/zinc/31/20/22/357312022.db2.gz NCHVZCGVINWBLF-UHFFFAOYSA-N 1 2 213.237 0.373 20 0 BCADLO CCC[C@@H](C)[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000582492332 357320563 /nfs/dbraw/zinc/32/05/63/357320563.db2.gz LCJJKFIOBBAYLW-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)[nH]1 ZINC000582646574 357362249 /nfs/dbraw/zinc/36/22/49/357362249.db2.gz ZFATUZABAQIUSZ-MWLCHTKSSA-N 1 2 249.362 0.939 20 0 BCADLO C[N@H+](Cc1nc(C2CC2)no1)C1(CO)CC1 ZINC000582802099 357399780 /nfs/dbraw/zinc/39/97/80/357399780.db2.gz WZHSDRRDAGDYBS-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO C[N@@H+](Cc1nc(C2CC2)no1)C1(CO)CC1 ZINC000582802099 357399785 /nfs/dbraw/zinc/39/97/85/357399785.db2.gz WZHSDRRDAGDYBS-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@@H](NC(=O)c1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000158075575 538848614 /nfs/dbraw/zinc/84/86/14/538848614.db2.gz LBUDDJSTMZAASM-MWLCHTKSSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](NC(=O)c1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000158075575 538848622 /nfs/dbraw/zinc/84/86/22/538848622.db2.gz LBUDDJSTMZAASM-MWLCHTKSSA-N 1 2 238.287 0.729 20 0 BCADLO Cc1nc(NC(=O)C[N@H+]2CC[C@H](C)C2)n[nH]1 ZINC000582973275 357449218 /nfs/dbraw/zinc/44/92/18/357449218.db2.gz UEVNWWQVMAGVKH-ZETCQYMHSA-N 1 2 223.280 0.393 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+]2CC[C@H](C)C2)n[nH]1 ZINC000582973275 357449220 /nfs/dbraw/zinc/44/92/20/357449220.db2.gz UEVNWWQVMAGVKH-ZETCQYMHSA-N 1 2 223.280 0.393 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC000582973275 357449227 /nfs/dbraw/zinc/44/92/27/357449227.db2.gz UEVNWWQVMAGVKH-ZETCQYMHSA-N 1 2 223.280 0.393 20 0 BCADLO CCCCOC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000583078987 357473792 /nfs/dbraw/zinc/47/37/92/357473792.db2.gz CRXVHMRXUAPNNA-LLVKDONJSA-N 1 2 227.308 0.677 20 0 BCADLO COCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000583089221 357477234 /nfs/dbraw/zinc/47/72/34/357477234.db2.gz AZWDZSNUJIYNAG-UHFFFAOYSA-N 1 2 211.265 0.716 20 0 BCADLO Cc1nnsc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000583182525 357510900 /nfs/dbraw/zinc/51/09/00/357510900.db2.gz XGCZJFBSFAYZBK-UHFFFAOYSA-N 1 2 242.348 0.932 20 0 BCADLO Cc1nnsc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000583182525 357510906 /nfs/dbraw/zinc/51/09/06/357510906.db2.gz XGCZJFBSFAYZBK-UHFFFAOYSA-N 1 2 242.348 0.932 20 0 BCADLO CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000396868913 357486144 /nfs/dbraw/zinc/48/61/44/357486144.db2.gz HKDMLZLWSFESOX-SECBINFHSA-N 1 2 237.307 0.063 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cncnc1 ZINC000230894274 357578301 /nfs/dbraw/zinc/57/83/01/357578301.db2.gz BORXFXFOQNHZPA-UHFFFAOYSA-N 1 2 217.232 0.172 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000231731720 357623477 /nfs/dbraw/zinc/62/34/77/357623477.db2.gz QRKSAIWUPOLTKD-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000231731720 357623483 /nfs/dbraw/zinc/62/34/83/357623483.db2.gz QRKSAIWUPOLTKD-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO O=C(CCOCC(F)F)NCc1c[nH+]c[nH]1 ZINC000232336026 357659681 /nfs/dbraw/zinc/65/96/81/357659681.db2.gz JCRCCIHUUSAXEG-UHFFFAOYSA-N 1 2 233.218 0.698 20 0 BCADLO O=C(CCOCC(F)F)NCc1c[nH]c[nH+]1 ZINC000232336026 357659685 /nfs/dbraw/zinc/65/96/85/357659685.db2.gz JCRCCIHUUSAXEG-UHFFFAOYSA-N 1 2 233.218 0.698 20 0 BCADLO Cn1ncnc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189908417 357675616 /nfs/dbraw/zinc/67/56/16/357675616.db2.gz IKAURQQSOOOIEF-UHFFFAOYSA-N 1 2 224.308 0.550 20 0 BCADLO Cn1ncnc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189908417 357675621 /nfs/dbraw/zinc/67/56/21/357675621.db2.gz IKAURQQSOOOIEF-UHFFFAOYSA-N 1 2 224.308 0.550 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000191210855 357758307 /nfs/dbraw/zinc/75/83/07/357758307.db2.gz JHEGUXDJQNUUKE-LLVKDONJSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000191210855 357758308 /nfs/dbraw/zinc/75/83/08/357758308.db2.gz JHEGUXDJQNUUKE-LLVKDONJSA-N 1 2 238.335 0.990 20 0 BCADLO CC[C@@H](NC(=O)c1cccc(=O)[nH]1)c1[nH]cc[nH+]1 ZINC000233903033 357761960 /nfs/dbraw/zinc/76/19/60/357761960.db2.gz ZPPACTVZTHBBPR-MRVPVSSYSA-N 1 2 246.270 0.979 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000191385403 357766930 /nfs/dbraw/zinc/76/69/30/357766930.db2.gz OVOVSDRKLZCXFD-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000191385403 357766932 /nfs/dbraw/zinc/76/69/32/357766932.db2.gz OVOVSDRKLZCXFD-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO COC(=O)[C@H]([NH2+]CC1(O)CCOCC1)C1CC1 ZINC000234557101 357812013 /nfs/dbraw/zinc/81/20/13/357812013.db2.gz JBZRZVBZKGOUTI-SNVBAGLBSA-N 1 2 243.303 0.069 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC1(O)CCOCC1)C1CC1 ZINC000234543094 357812226 /nfs/dbraw/zinc/81/22/26/357812226.db2.gz JBZRZVBZKGOUTI-JTQLQIEISA-N 1 2 243.303 0.069 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOCC(C)C ZINC000234564557 357812689 /nfs/dbraw/zinc/81/26/89/357812689.db2.gz JWYUKRYCZYNFGN-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOCC(C)C ZINC000234564557 357812693 /nfs/dbraw/zinc/81/26/93/357812693.db2.gz JWYUKRYCZYNFGN-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOCC(C)C ZINC000234566194 357812850 /nfs/dbraw/zinc/81/28/50/357812850.db2.gz JWYUKRYCZYNFGN-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOCC(C)C ZINC000234566194 357812854 /nfs/dbraw/zinc/81/28/54/357812854.db2.gz JWYUKRYCZYNFGN-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO CCn1cc(C[N@@H+]2CCCN(C)C(=O)C2)cn1 ZINC000191670332 357781869 /nfs/dbraw/zinc/78/18/69/357781869.db2.gz CJDWCOSYCNSRHG-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1cc(C[N@H+]2CCCN(C)C(=O)C2)cn1 ZINC000191670332 357781871 /nfs/dbraw/zinc/78/18/71/357781871.db2.gz CJDWCOSYCNSRHG-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C12CCC2 ZINC000398103430 357837336 /nfs/dbraw/zinc/83/73/36/357837336.db2.gz IYFINNUWPWPYMD-RKDXNWHRSA-N 1 2 237.307 0.257 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C12CCC2 ZINC000398103425 357837417 /nfs/dbraw/zinc/83/74/17/357837417.db2.gz IYFINNUWPWPYMD-DTWKUNHWSA-N 1 2 237.307 0.257 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000193135090 357875736 /nfs/dbraw/zinc/87/57/36/357875736.db2.gz PDTMJIAUOBPPCM-SNVBAGLBSA-N 1 2 245.286 0.179 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000193135090 357875740 /nfs/dbraw/zinc/87/57/40/357875740.db2.gz PDTMJIAUOBPPCM-SNVBAGLBSA-N 1 2 245.286 0.179 20 0 BCADLO CCNC(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000398274795 357882221 /nfs/dbraw/zinc/88/22/21/357882221.db2.gz RZNHPSCNHPNNKZ-SSDOTTSWSA-N 1 2 228.321 0.715 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000584391751 357883349 /nfs/dbraw/zinc/88/33/49/357883349.db2.gz HDFNHBDVHFLYQW-SNVBAGLBSA-N 1 2 244.360 0.648 20 0 BCADLO CCC(=O)CCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000584391751 357883351 /nfs/dbraw/zinc/88/33/51/357883351.db2.gz HDFNHBDVHFLYQW-SNVBAGLBSA-N 1 2 244.360 0.648 20 0 BCADLO CC[C@@H](O)CCCNC(=O)Cn1cc[nH+]c1 ZINC000398623023 357888172 /nfs/dbraw/zinc/88/81/72/357888172.db2.gz WWCAJBLZPVGVCQ-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H]1C[C@@H](CO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000398701673 357889552 /nfs/dbraw/zinc/88/95/52/357889552.db2.gz LXIQEJUQVPJMLE-WDEREUQCSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000193009239 357864094 /nfs/dbraw/zinc/86/40/94/357864094.db2.gz ZZOJSLQMBLFBQQ-ZYHUDNBSSA-N 1 2 224.304 0.779 20 0 BCADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000193009239 357864099 /nfs/dbraw/zinc/86/40/99/357864099.db2.gz ZZOJSLQMBLFBQQ-ZYHUDNBSSA-N 1 2 224.304 0.779 20 0 BCADLO Cc1nn(C)cc1C[NH2+]Cc1cc[nH]n1 ZINC000020349866 357932568 /nfs/dbraw/zinc/93/25/68/357932568.db2.gz DIFKBWWAGVQDGW-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCCCO1 ZINC000583772111 357940223 /nfs/dbraw/zinc/94/02/23/357940223.db2.gz RBPWZSLVMUKMBJ-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO CC1(C)[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]2CCO[C@H]21 ZINC000583786273 357941780 /nfs/dbraw/zinc/94/17/80/357941780.db2.gz BEMVHGTUBLSMKK-MVWJERBFSA-N 1 2 249.314 0.813 20 0 BCADLO C[C@@]12C[NH+](CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000639945242 357969910 /nfs/dbraw/zinc/96/99/10/357969910.db2.gz SQQWNKXVRPPZPN-UWVGGRQHSA-N 1 2 232.230 0.236 20 0 BCADLO CCCc1noc(C[NH2+][C@](C)(CO)COC)n1 ZINC000639948548 357972309 /nfs/dbraw/zinc/97/23/09/357972309.db2.gz GIDSLQHCGFTMGI-LLVKDONJSA-N 1 2 243.307 0.509 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nnc(C)s1 ZINC000639957272 357980804 /nfs/dbraw/zinc/98/08/04/357980804.db2.gz LSLODUXQKAKWET-SECBINFHSA-N 1 2 231.321 0.334 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1coc(C)n1 ZINC000639956956 357981226 /nfs/dbraw/zinc/98/12/26/357981226.db2.gz HJHKADLJAHCALL-JTQLQIEISA-N 1 2 214.265 0.470 20 0 BCADLO COC(=O)CC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000035346636 357984576 /nfs/dbraw/zinc/98/45/76/357984576.db2.gz BLTHKFUTOSUZCU-SECBINFHSA-N 1 2 217.265 0.337 20 0 BCADLO CCOC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628452530 358009450 /nfs/dbraw/zinc/00/94/50/358009450.db2.gz IUWPMAIIWCJVOR-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1ncc([C@H](C)[NH2+]Cc2nnnn2C)s1 ZINC000639994404 358034258 /nfs/dbraw/zinc/03/42/58/358034258.db2.gz JHNQVULWMICNCK-LURJTMIESA-N 1 2 238.320 0.826 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000075716067 325307109 /nfs/dbraw/zinc/30/71/09/325307109.db2.gz SSHZVDLRNYOUFF-SNVBAGLBSA-N 1 2 243.303 0.966 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)OC(C)C ZINC000075716067 325307112 /nfs/dbraw/zinc/30/71/12/325307112.db2.gz SSHZVDLRNYOUFF-SNVBAGLBSA-N 1 2 243.303 0.966 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(CCF)CC2)nc1=O ZINC000639989680 358032209 /nfs/dbraw/zinc/03/22/09/358032209.db2.gz KWOJGLBSGOHMSP-UHFFFAOYSA-N 1 2 242.298 0.680 20 0 BCADLO CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000583864236 358040224 /nfs/dbraw/zinc/04/02/24/358040224.db2.gz ZRXBVUKCUSHACB-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO CO[C@@H]1C[N@H+](CC(F)F)[C@](C)(CO)C1 ZINC000640004548 358054905 /nfs/dbraw/zinc/05/49/05/358054905.db2.gz SHFUXPBORXFJLR-CBAPKCEASA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@@H]1C[N@@H+](CC(F)F)[C@](C)(CO)C1 ZINC000640004548 358054906 /nfs/dbraw/zinc/05/49/06/358054906.db2.gz SHFUXPBORXFJLR-CBAPKCEASA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nc(C)no2)[C@](C)(CO)C1 ZINC000640011803 358067584 /nfs/dbraw/zinc/06/75/84/358067584.db2.gz XZPKCGNBTWVPIZ-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nc(C)no2)[C@](C)(CO)C1 ZINC000640011803 358067585 /nfs/dbraw/zinc/06/75/85/358067585.db2.gz XZPKCGNBTWVPIZ-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368328616 181295206 /nfs/dbraw/zinc/29/52/06/181295206.db2.gz ISNLJTKMYUEGKJ-NEPJUHHUSA-N 1 2 232.283 0.759 20 0 BCADLO NC(=O)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368328616 181295211 /nfs/dbraw/zinc/29/52/11/181295211.db2.gz ISNLJTKMYUEGKJ-NEPJUHHUSA-N 1 2 232.283 0.759 20 0 BCADLO CC[N@@H+](Cc1nnc2n1CCCC2)C[C@H](C)O ZINC000352186450 535395819 /nfs/dbraw/zinc/39/58/19/535395819.db2.gz MBMUOGGEVUQGAU-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CC[N@H+](Cc1nnc2n1CCCC2)C[C@H](C)O ZINC000352186450 535395821 /nfs/dbraw/zinc/39/58/21/535395821.db2.gz MBMUOGGEVUQGAU-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170836815 134253925 /nfs/dbraw/zinc/25/39/25/134253925.db2.gz GWUQBQFQVHXTAK-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170836815 134253926 /nfs/dbraw/zinc/25/39/26/134253926.db2.gz GWUQBQFQVHXTAK-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[C@@H](C)O ZINC000584664383 358123406 /nfs/dbraw/zinc/12/34/06/358123406.db2.gz DPMPNXRJSQLAGZ-HLTSFMKQSA-N 1 2 225.292 0.994 20 0 BCADLO CC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[C@H](C)O ZINC000584664384 358123642 /nfs/dbraw/zinc/12/36/42/358123642.db2.gz DPMPNXRJSQLAGZ-HRDYMLBCSA-N 1 2 225.292 0.994 20 0 BCADLO COCCOCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000610736482 358130824 /nfs/dbraw/zinc/13/08/24/358130824.db2.gz BKOHIYJQZGPLSG-SNVBAGLBSA-N 1 2 247.335 0.827 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000640035823 358135684 /nfs/dbraw/zinc/13/56/84/358135684.db2.gz NKNFOHJWPCNBMJ-NSHDSACASA-N 1 2 224.308 0.850 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000640035823 358135686 /nfs/dbraw/zinc/13/56/86/358135686.db2.gz NKNFOHJWPCNBMJ-NSHDSACASA-N 1 2 224.308 0.850 20 0 BCADLO CC[C@]1(O)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000640036257 358136521 /nfs/dbraw/zinc/13/65/21/358136521.db2.gz QUZSWOHBHOTTDE-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000640036257 358136523 /nfs/dbraw/zinc/13/65/23/358136523.db2.gz QUZSWOHBHOTTDE-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO COC[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171530163 134258885 /nfs/dbraw/zinc/25/88/85/134258885.db2.gz RVEPBWVNMLBUDG-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000171883997 134259758 /nfs/dbraw/zinc/25/97/58/134259758.db2.gz DTSJUWRXYKPRNW-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCCN(C(N)=O)CC1 ZINC000171883997 134259759 /nfs/dbraw/zinc/25/97/59/134259759.db2.gz DTSJUWRXYKPRNW-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CCN1CC[N@H+](Cc2ncccc2O)CC1=O ZINC000584806576 358182992 /nfs/dbraw/zinc/18/29/92/358182992.db2.gz DXUMEVSKYQRNAW-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO CCN1CC[N@@H+](Cc2ncccc2O)CC1=O ZINC000584806576 358182996 /nfs/dbraw/zinc/18/29/96/358182996.db2.gz DXUMEVSKYQRNAW-UHFFFAOYSA-N 1 2 235.287 0.451 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623423814 358218050 /nfs/dbraw/zinc/21/80/50/358218050.db2.gz SSWDGQYFRGLBNR-GMTAPVOTSA-N 1 2 241.335 0.272 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623423814 358218053 /nfs/dbraw/zinc/21/80/53/358218053.db2.gz SSWDGQYFRGLBNR-GMTAPVOTSA-N 1 2 241.335 0.272 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCCO ZINC000610826385 358206743 /nfs/dbraw/zinc/20/67/43/358206743.db2.gz ATVHRKRGRWPDDC-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCCO ZINC000610826385 358206746 /nfs/dbraw/zinc/20/67/46/358206746.db2.gz ATVHRKRGRWPDDC-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623423816 358217679 /nfs/dbraw/zinc/21/76/79/358217679.db2.gz SSWDGQYFRGLBNR-OUAUKWLOSA-N 1 2 241.335 0.272 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623423816 358217683 /nfs/dbraw/zinc/21/76/83/358217683.db2.gz SSWDGQYFRGLBNR-OUAUKWLOSA-N 1 2 241.335 0.272 20 0 BCADLO COCC1(O)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000450679282 202232235 /nfs/dbraw/zinc/23/22/35/202232235.db2.gz JPTNGBONYPFTFX-UHFFFAOYSA-N 1 2 237.303 0.798 20 0 BCADLO NC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640138012 358226134 /nfs/dbraw/zinc/22/61/34/358226134.db2.gz XHTOZRMJVHKZPP-UHFFFAOYSA-N 1 2 237.278 0.433 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000172245547 134265182 /nfs/dbraw/zinc/26/51/82/134265182.db2.gz ZHGXDJXCVAFNQJ-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCC[C@H]1C(=O)OC ZINC000172245547 134265183 /nfs/dbraw/zinc/26/51/83/134265183.db2.gz ZHGXDJXCVAFNQJ-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000172397753 134265765 /nfs/dbraw/zinc/26/57/65/134265765.db2.gz HTHUMTOFKMKRLP-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000172397753 134265766 /nfs/dbraw/zinc/26/57/66/134265766.db2.gz HTHUMTOFKMKRLP-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@@H]1CCCO1 ZINC000134840100 325378659 /nfs/dbraw/zinc/37/86/59/325378659.db2.gz HRKYEEGQRIBHTQ-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@@H]1CCCO1 ZINC000134840100 325378662 /nfs/dbraw/zinc/37/86/62/325378662.db2.gz HRKYEEGQRIBHTQ-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H](O)[C@@H](C)C1 ZINC000229491669 358403377 /nfs/dbraw/zinc/40/33/77/358403377.db2.gz ONNUSAXGOPJAEO-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H](O)[C@@H](C)C1 ZINC000229491669 358403379 /nfs/dbraw/zinc/40/33/79/358403379.db2.gz ONNUSAXGOPJAEO-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@@H](C)O)n1C ZINC000173818300 134278123 /nfs/dbraw/zinc/27/81/23/134278123.db2.gz RHMRMWUMKBKDGN-SECBINFHSA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@@H](C)O)n1C ZINC000173818300 134278124 /nfs/dbraw/zinc/27/81/24/134278124.db2.gz RHMRMWUMKBKDGN-SECBINFHSA-N 1 2 226.324 0.580 20 0 BCADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(N(C)C)no2)C1 ZINC000351197702 366449229 /nfs/dbraw/zinc/44/92/29/366449229.db2.gz ZARXNHNLDARRTA-SECBINFHSA-N 1 2 240.307 0.917 20 0 BCADLO CC(C)[N@H+]1CCO[C@@H](c2nc(N(C)C)no2)C1 ZINC000351197702 366449235 /nfs/dbraw/zinc/44/92/35/366449235.db2.gz ZARXNHNLDARRTA-SECBINFHSA-N 1 2 240.307 0.917 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000174098716 134278933 /nfs/dbraw/zinc/27/89/33/134278933.db2.gz IIALWEAIFMNUES-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000174098716 134278934 /nfs/dbraw/zinc/27/89/34/134278934.db2.gz IIALWEAIFMNUES-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO O=C(CCC1(O)CCC1)N1CCn2c[nH+]cc2C1 ZINC000633138951 358428367 /nfs/dbraw/zinc/42/83/67/358428367.db2.gz ACZXNSBTQNRAIW-UHFFFAOYSA-N 1 2 249.314 0.921 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046512443 358578345 /nfs/dbraw/zinc/57/83/45/358578345.db2.gz GPOHTFBGHAOQDK-UHFFFAOYSA-N 1 2 243.351 0.298 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046512443 358578349 /nfs/dbraw/zinc/57/83/49/358578349.db2.gz GPOHTFBGHAOQDK-UHFFFAOYSA-N 1 2 243.351 0.298 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774217 358580266 /nfs/dbraw/zinc/58/02/66/358580266.db2.gz HSZUNBFLHGFJAT-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774217 358580269 /nfs/dbraw/zinc/58/02/69/358580269.db2.gz HSZUNBFLHGFJAT-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](O)C1)NCC(F)(F)F ZINC000047864723 358604711 /nfs/dbraw/zinc/60/47/11/358604711.db2.gz ORJHDZXQUPTIQS-ZETCQYMHSA-N 1 2 240.225 0.122 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](O)C1)NCC(F)(F)F ZINC000047864723 358604713 /nfs/dbraw/zinc/60/47/13/358604713.db2.gz ORJHDZXQUPTIQS-ZETCQYMHSA-N 1 2 240.225 0.122 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000048047837 358613329 /nfs/dbraw/zinc/61/33/29/358613329.db2.gz WQVRILSGTYLREP-UHFFFAOYSA-N 1 2 243.351 0.441 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000048047837 358613331 /nfs/dbraw/zinc/61/33/31/358613331.db2.gz WQVRILSGTYLREP-UHFFFAOYSA-N 1 2 243.351 0.441 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)NCC(F)F ZINC000640195396 358624767 /nfs/dbraw/zinc/62/47/67/358624767.db2.gz MAKFBDHRVRZFHP-UHFFFAOYSA-N 1 2 204.180 0.474 20 0 BCADLO CC1(C)NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000047348573 358587827 /nfs/dbraw/zinc/58/78/27/358587827.db2.gz AMVNLWZDGZIMSX-UHFFFAOYSA-N 1 2 236.275 0.604 20 0 BCADLO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000175247335 134286578 /nfs/dbraw/zinc/28/65/78/134286578.db2.gz YNHCRXZPXMWXES-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000174996532 134283898 /nfs/dbraw/zinc/28/38/98/134283898.db2.gz XYAMGYPVNIBKGG-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO CCS(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000048905190 358660856 /nfs/dbraw/zinc/66/08/56/358660856.db2.gz WCBDPPSEDJUODM-UHFFFAOYSA-N 1 2 243.332 0.587 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000131878188 358698167 /nfs/dbraw/zinc/69/81/67/358698167.db2.gz NZDYKUISKBNRAW-AWEZNQCLSA-N 1 2 248.326 0.980 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000131878188 358698172 /nfs/dbraw/zinc/69/81/72/358698172.db2.gz NZDYKUISKBNRAW-AWEZNQCLSA-N 1 2 248.326 0.980 20 0 BCADLO CC(C)n1nnnc1C[N@H+](CCO)C(C)C ZINC000176364240 134290892 /nfs/dbraw/zinc/29/08/92/134290892.db2.gz YAOHNOJGBFIBPT-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](CCO)C(C)C ZINC000176364240 134290893 /nfs/dbraw/zinc/29/08/93/134290893.db2.gz YAOHNOJGBFIBPT-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000050048234 358710533 /nfs/dbraw/zinc/71/05/33/358710533.db2.gz VDWWLLVTGZZXQE-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)C(C)C ZINC000050048234 358710536 /nfs/dbraw/zinc/71/05/36/358710536.db2.gz VDWWLLVTGZZXQE-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050048346 358710706 /nfs/dbraw/zinc/71/07/06/358710706.db2.gz VSOLVAZMJCRFGJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000050048346 358710709 /nfs/dbraw/zinc/71/07/09/358710709.db2.gz VSOLVAZMJCRFGJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CN(CCn1cc[nH+]c1)C1CC1 ZINC000050063846 358711685 /nfs/dbraw/zinc/71/16/85/358711685.db2.gz OEKPYRLLTJQPGY-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO COC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000050118898 358716686 /nfs/dbraw/zinc/71/66/86/358716686.db2.gz KEZNMHCUNNVXHG-SECBINFHSA-N 1 2 233.308 0.267 20 0 BCADLO COC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000050118898 358716688 /nfs/dbraw/zinc/71/66/88/358716688.db2.gz KEZNMHCUNNVXHG-SECBINFHSA-N 1 2 233.308 0.267 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000050419566 358730297 /nfs/dbraw/zinc/73/02/97/358730297.db2.gz ROPFFQPOCJMTEE-RKDXNWHRSA-N 1 2 239.323 0.380 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C1=NNC(=O)CC1 ZINC000132878619 358737948 /nfs/dbraw/zinc/73/79/48/358737948.db2.gz KMGMQBPAWVHDGY-UHFFFAOYSA-N 1 2 248.242 0.295 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ncc[nH]1 ZINC000613675812 363618079 /nfs/dbraw/zinc/61/80/79/363618079.db2.gz SEEGAKDSBMRPCP-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000134302423 358786896 /nfs/dbraw/zinc/78/68/96/358786896.db2.gz AGGJTNNMUIGDND-UHFFFAOYSA-N 1 2 241.291 0.388 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000134302423 358786901 /nfs/dbraw/zinc/78/69/01/358786901.db2.gz AGGJTNNMUIGDND-UHFFFAOYSA-N 1 2 241.291 0.388 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000177037482 134294072 /nfs/dbraw/zinc/29/40/72/134294072.db2.gz ZYNSYXBVUWCEPR-SNVBAGLBSA-N 1 2 246.318 0.918 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000177037482 134294073 /nfs/dbraw/zinc/29/40/73/134294073.db2.gz ZYNSYXBVUWCEPR-SNVBAGLBSA-N 1 2 246.318 0.918 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000564087964 358857377 /nfs/dbraw/zinc/85/73/77/358857377.db2.gz WLQNYDSLIKCCEB-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO COCCC[N@H+](CCOC)Cc1noc(C)n1 ZINC000054365339 358859264 /nfs/dbraw/zinc/85/92/64/358859264.db2.gz PFEGPMJHTPZVIX-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1noc(C)n1 ZINC000054365339 358859267 /nfs/dbraw/zinc/85/92/67/358859267.db2.gz PFEGPMJHTPZVIX-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395369 358861115 /nfs/dbraw/zinc/86/11/15/358861115.db2.gz LJIFZIYCJJZAFW-LLVKDONJSA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395369 358861118 /nfs/dbraw/zinc/86/11/18/358861118.db2.gz LJIFZIYCJJZAFW-LLVKDONJSA-N 1 2 247.298 0.035 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000177135084 134295776 /nfs/dbraw/zinc/29/57/76/134295776.db2.gz ZRWVCMFDHCRDTF-UHFFFAOYSA-N 1 2 225.296 0.151 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000177135084 134295777 /nfs/dbraw/zinc/29/57/77/134295777.db2.gz ZRWVCMFDHCRDTF-UHFFFAOYSA-N 1 2 225.296 0.151 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135492267 358840770 /nfs/dbraw/zinc/84/07/70/358840770.db2.gz OXCOIJHFKLWAAK-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO CCNC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135492267 358840775 /nfs/dbraw/zinc/84/07/75/358840775.db2.gz OXCOIJHFKLWAAK-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO COC(=O)[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC000135538730 358843074 /nfs/dbraw/zinc/84/30/74/358843074.db2.gz KSOSLHMNCMRMOD-LLVKDONJSA-N 1 2 243.303 0.287 20 0 BCADLO COC(=O)[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC000135538730 358843076 /nfs/dbraw/zinc/84/30/76/358843076.db2.gz KSOSLHMNCMRMOD-LLVKDONJSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)N(C(=O)C[NH+]1CCN(C)CC1)C(C)C ZINC000058873689 358915246 /nfs/dbraw/zinc/91/52/46/358915246.db2.gz ASWSBIVJZJUYRZ-UHFFFAOYSA-N 1 2 241.379 0.879 20 0 BCADLO Cn1cc(C[NH2+]CCN2CCCCC2)nn1 ZINC000054860979 358877052 /nfs/dbraw/zinc/87/70/52/358877052.db2.gz HNRPFKAYWLGPFR-UHFFFAOYSA-N 1 2 223.324 0.391 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474831 358894089 /nfs/dbraw/zinc/89/40/89/358894089.db2.gz RVXIQGSYKIIQGK-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccoc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474831 358894092 /nfs/dbraw/zinc/89/40/92/358894092.db2.gz RVXIQGSYKIIQGK-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO CC[C@@H](NC(=O)COCCOC)c1[nH]cc[nH+]1 ZINC000140622256 358923903 /nfs/dbraw/zinc/92/39/03/358923903.db2.gz SSWGZMMDOLLRIO-SECBINFHSA-N 1 2 241.291 0.640 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908712 359035730 /nfs/dbraw/zinc/03/57/30/359035730.db2.gz IABMBMPDDZEVIA-OCAPTIKFSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908712 359035735 /nfs/dbraw/zinc/03/57/35/359035735.db2.gz IABMBMPDDZEVIA-OCAPTIKFSA-N 1 2 203.307 0.985 20 0 BCADLO NC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989997 359069119 /nfs/dbraw/zinc/06/91/19/359069119.db2.gz JQIXSGLJDGVCEU-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1nccn1C ZINC000071138991 359072333 /nfs/dbraw/zinc/07/23/33/359072333.db2.gz XUWBZFHSZZIFIB-ZJUUUORDSA-N 1 2 238.335 0.813 20 0 BCADLO CCNC(=O)C[NH+](CC(=O)NCC)[C@@H](C)CC ZINC000073787142 359106142 /nfs/dbraw/zinc/10/61/42/359106142.db2.gz HEFDYMNJKBBHCV-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)CO ZINC000611235507 359187140 /nfs/dbraw/zinc/18/71/40/359187140.db2.gz IRSPHAGZQAUTNW-NXEZZACHSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)CO ZINC000611235507 359187141 /nfs/dbraw/zinc/18/71/41/359187141.db2.gz IRSPHAGZQAUTNW-NXEZZACHSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)CO ZINC000611235509 359188358 /nfs/dbraw/zinc/18/83/58/359188358.db2.gz IRSPHAGZQAUTNW-UWVGGRQHSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)CO ZINC000611235509 359188366 /nfs/dbraw/zinc/18/83/66/359188366.db2.gz IRSPHAGZQAUTNW-UWVGGRQHSA-N 1 2 247.360 0.595 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@@H](C)CO ZINC000611235904 359188624 /nfs/dbraw/zinc/18/86/24/359188624.db2.gz UQHOMZDXMNFKOL-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@@H](C)CO ZINC000611235904 359188629 /nfs/dbraw/zinc/18/86/29/359188629.db2.gz UQHOMZDXMNFKOL-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000246781515 359164471 /nfs/dbraw/zinc/16/44/71/359164471.db2.gz QFGMBBMXAPXIND-ADEWGFFLSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000246781515 359164476 /nfs/dbraw/zinc/16/44/76/359164476.db2.gz QFGMBBMXAPXIND-ADEWGFFLSA-N 1 2 238.331 0.622 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000246851087 359170206 /nfs/dbraw/zinc/17/02/06/359170206.db2.gz FIAKULHCFWVBJS-OUAUKWLOSA-N 1 2 242.319 0.130 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000246851087 359170210 /nfs/dbraw/zinc/17/02/10/359170210.db2.gz FIAKULHCFWVBJS-OUAUKWLOSA-N 1 2 242.319 0.130 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000247705292 359241993 /nfs/dbraw/zinc/24/19/93/359241993.db2.gz RYYYWKWIFMLVLX-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000247705292 359241998 /nfs/dbraw/zinc/24/19/98/359241998.db2.gz RYYYWKWIFMLVLX-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)N1C(=O)C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000075924702 359247965 /nfs/dbraw/zinc/24/79/65/359247965.db2.gz CMQSOYTWMZZCSY-VIFPVBQESA-N 1 2 241.335 0.191 20 0 BCADLO CC(C)N1C(=O)C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000075924702 359247970 /nfs/dbraw/zinc/24/79/70/359247970.db2.gz CMQSOYTWMZZCSY-VIFPVBQESA-N 1 2 241.335 0.191 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000247154025 359198125 /nfs/dbraw/zinc/19/81/25/359198125.db2.gz ULMUIHLPTZRDQN-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000247154025 359198130 /nfs/dbraw/zinc/19/81/30/359198130.db2.gz ULMUIHLPTZRDQN-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1nnc[nH]1 ZINC000611703594 359432101 /nfs/dbraw/zinc/43/21/01/359432101.db2.gz HVGKQLHNRXHRIF-ZETCQYMHSA-N 1 2 223.280 0.076 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501892 359385501 /nfs/dbraw/zinc/38/55/01/359385501.db2.gz KBULSTWYFVADPR-SFYZADRCSA-N 1 2 231.271 0.122 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501892 359385504 /nfs/dbraw/zinc/38/55/04/359385504.db2.gz KBULSTWYFVADPR-SFYZADRCSA-N 1 2 231.271 0.122 20 0 BCADLO CCc1ncncc1C(=O)NCCn1cc[nH+]c1 ZINC000611773359 359449725 /nfs/dbraw/zinc/44/97/25/359449725.db2.gz YESVGJLGSIQVFM-UHFFFAOYSA-N 1 2 245.286 0.666 20 0 BCADLO COC(=O)[C@H](C1CC1)N1CCn2cc(C)[nH+]c2C1 ZINC000611802200 359451037 /nfs/dbraw/zinc/45/10/37/359451037.db2.gz RGMJXXRDCJADOO-LBPRGKRZSA-N 1 2 249.314 0.959 20 0 BCADLO COC[C@@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000308958317 491140978 /nfs/dbraw/zinc/14/09/78/491140978.db2.gz RDNZFQFENOFLML-IONNQARKSA-N 1 2 213.281 0.376 20 0 BCADLO c1snnc1C[NH2+]C1COCCOC1 ZINC000306322741 359606849 /nfs/dbraw/zinc/60/68/49/359606849.db2.gz UOUZPTMVTUNJPB-UHFFFAOYSA-N 1 2 215.278 0.043 20 0 BCADLO CCOCCO[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000057394578 359687668 /nfs/dbraw/zinc/68/76/68/359687668.db2.gz KEKOZJHGLPUFPE-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000628497023 359702124 /nfs/dbraw/zinc/70/21/24/359702124.db2.gz DYJGFVQFHYIGBV-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000628497023 359702126 /nfs/dbraw/zinc/70/21/26/359702126.db2.gz DYJGFVQFHYIGBV-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1cnn[nH]1 ZINC000450818569 202275307 /nfs/dbraw/zinc/27/53/07/202275307.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cscn1 ZINC000450800426 202271163 /nfs/dbraw/zinc/27/11/63/202271163.db2.gz YBILKCKAWZXYHV-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cscn1 ZINC000450800426 202271165 /nfs/dbraw/zinc/27/11/65/202271165.db2.gz YBILKCKAWZXYHV-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1cnn[nH]1 ZINC000450818569 202275310 /nfs/dbraw/zinc/27/53/10/202275310.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1c[nH]nn1 ZINC000450818569 202275312 /nfs/dbraw/zinc/27/53/12/202275312.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1c[nH]nn1 ZINC000450818569 202275315 /nfs/dbraw/zinc/27/53/15/202275315.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1cn[nH]n1 ZINC000450818569 202275318 /nfs/dbraw/zinc/27/53/18/202275318.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1cn[nH]n1 ZINC000450818569 202275319 /nfs/dbraw/zinc/27/53/19/202275319.db2.gz ILMXVFZETZSPQA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO C[C@H]1C[N@H+](CCc2cscn2)C[C@@H](CO)O1 ZINC000450828854 202278248 /nfs/dbraw/zinc/27/82/48/202278248.db2.gz MTOOHTXYHVUMQO-ONGXEEELSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cscn2)C[C@@H](CO)O1 ZINC000450828854 202278252 /nfs/dbraw/zinc/27/82/52/202278252.db2.gz MTOOHTXYHVUMQO-ONGXEEELSA-N 1 2 242.344 0.767 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000633558221 359773636 /nfs/dbraw/zinc/77/36/36/359773636.db2.gz STBGJJNQDWLPSD-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CCOC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C ZINC000450973550 202323782 /nfs/dbraw/zinc/32/37/82/202323782.db2.gz UDMWMJBTHRBGDF-SNVBAGLBSA-N 1 2 212.297 0.955 20 0 BCADLO CCOC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C ZINC000450973550 202323786 /nfs/dbraw/zinc/32/37/86/202323786.db2.gz UDMWMJBTHRBGDF-SNVBAGLBSA-N 1 2 212.297 0.955 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H]2C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000628509540 359802963 /nfs/dbraw/zinc/80/29/63/359802963.db2.gz NFZATDCKHHKWAN-SDDRHHMPSA-N 1 2 237.347 0.101 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612352018 359806115 /nfs/dbraw/zinc/80/61/15/359806115.db2.gz YAFVFJSSOHANCG-SKDRFNHKSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612352018 359806119 /nfs/dbraw/zinc/80/61/19/359806119.db2.gz YAFVFJSSOHANCG-SKDRFNHKSA-N 1 2 249.314 0.402 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cocn1 ZINC000578470502 366575846 /nfs/dbraw/zinc/57/58/46/366575846.db2.gz HDOVUAHZCFPYQJ-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cocn1 ZINC000578470502 366575850 /nfs/dbraw/zinc/57/58/50/366575850.db2.gz HDOVUAHZCFPYQJ-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060950 202343346 /nfs/dbraw/zinc/34/33/46/202343346.db2.gz KMBHUKZNHGQMFU-WZRBSPASSA-N 1 2 249.362 0.967 20 0 BCADLO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060950 202343349 /nfs/dbraw/zinc/34/33/49/202343349.db2.gz KMBHUKZNHGQMFU-WZRBSPASSA-N 1 2 249.362 0.967 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H](CC)CO)[nH]1 ZINC000451160129 202367571 /nfs/dbraw/zinc/36/75/71/202367571.db2.gz SSWFLNGCAZOHFN-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H](CC)CO)[nH]1 ZINC000451160129 202367573 /nfs/dbraw/zinc/36/75/73/202367573.db2.gz SSWFLNGCAZOHFN-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CC(C)[N@H+](CC(=O)NC1CC1)C1COC1 ZINC000451122345 202357548 /nfs/dbraw/zinc/35/75/48/202357548.db2.gz XUVBIGNBMUPVGR-UHFFFAOYSA-N 1 2 212.293 0.374 20 0 BCADLO CC(C)[N@@H+](CC(=O)NC1CC1)C1COC1 ZINC000451122345 202357552 /nfs/dbraw/zinc/35/75/52/202357552.db2.gz XUVBIGNBMUPVGR-UHFFFAOYSA-N 1 2 212.293 0.374 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)N1CCCC1 ZINC000451123567 202360802 /nfs/dbraw/zinc/36/08/02/202360802.db2.gz APYMMIRIXYDNOY-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)N1CCCC1 ZINC000451123567 202360806 /nfs/dbraw/zinc/36/08/06/202360806.db2.gz APYMMIRIXYDNOY-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)N1CCC1 ZINC000451130510 202362155 /nfs/dbraw/zinc/36/21/55/202362155.db2.gz MHSVOMAVOILCJI-UHFFFAOYSA-N 1 2 210.277 0.082 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)N1CCC1 ZINC000451130510 202362157 /nfs/dbraw/zinc/36/21/57/202362157.db2.gz MHSVOMAVOILCJI-UHFFFAOYSA-N 1 2 210.277 0.082 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451131423 202362478 /nfs/dbraw/zinc/36/24/78/202362478.db2.gz QUYZNYFRNMAMLS-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451131423 202362481 /nfs/dbraw/zinc/36/24/81/202362481.db2.gz QUYZNYFRNMAMLS-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NCC1CC1 ZINC000451179385 202371067 /nfs/dbraw/zinc/37/10/67/202371067.db2.gz AIMAKBYUPKDHKJ-SECBINFHSA-N 1 2 200.257 0.556 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NCC1CC1 ZINC000451179385 202371070 /nfs/dbraw/zinc/37/10/70/202371070.db2.gz AIMAKBYUPKDHKJ-SECBINFHSA-N 1 2 200.257 0.556 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451190391 202372780 /nfs/dbraw/zinc/37/27/80/202372780.db2.gz QGDQJWHBPAXCHB-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451190391 202372784 /nfs/dbraw/zinc/37/27/84/202372784.db2.gz QGDQJWHBPAXCHB-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451184263 202374039 /nfs/dbraw/zinc/37/40/39/202374039.db2.gz JYPMUOZYNISGMG-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451184263 202374043 /nfs/dbraw/zinc/37/40/43/202374043.db2.gz JYPMUOZYNISGMG-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](F)C1 ZINC000451193340 202376217 /nfs/dbraw/zinc/37/62/17/202376217.db2.gz UUFHDMMZBXZRRT-MXWKQRLJSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](F)C1 ZINC000451193340 202376219 /nfs/dbraw/zinc/37/62/19/202376219.db2.gz UUFHDMMZBXZRRT-MXWKQRLJSA-N 1 2 244.310 0.714 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451193302 202376355 /nfs/dbraw/zinc/37/63/55/202376355.db2.gz UPJHYEKYVUQJKZ-JTQLQIEISA-N 1 2 214.284 0.899 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451193302 202376358 /nfs/dbraw/zinc/37/63/58/202376358.db2.gz UPJHYEKYVUQJKZ-JTQLQIEISA-N 1 2 214.284 0.899 20 0 BCADLO F[C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451197830 202378404 /nfs/dbraw/zinc/37/84/04/202378404.db2.gz OKPGRNGMECPQLP-SDDRHHMPSA-N 1 2 228.311 0.893 20 0 BCADLO F[C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451197830 202378408 /nfs/dbraw/zinc/37/84/08/202378408.db2.gz OKPGRNGMECPQLP-SDDRHHMPSA-N 1 2 228.311 0.893 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613989740 363702974 /nfs/dbraw/zinc/70/29/74/363702974.db2.gz LOTYTIWETBVBQM-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613989740 363702976 /nfs/dbraw/zinc/70/29/76/363702976.db2.gz LOTYTIWETBVBQM-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO CC[N@H+](CC(=O)NCC1CC1)C1COC1 ZINC000451284662 202395506 /nfs/dbraw/zinc/39/55/06/202395506.db2.gz KWMXNDRSYWCFLD-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@@H+](CC(=O)NCC1CC1)C1COC1 ZINC000451284662 202395508 /nfs/dbraw/zinc/39/55/08/202395508.db2.gz KWMXNDRSYWCFLD-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@H+](CC(=O)N1CCCC1)C1COC1 ZINC000451287306 202396468 /nfs/dbraw/zinc/39/64/68/202396468.db2.gz RBTATBUDHXXKJL-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CC[N@@H+](CC(=O)N1CCCC1)C1COC1 ZINC000451287306 202396472 /nfs/dbraw/zinc/39/64/72/202396472.db2.gz RBTATBUDHXXKJL-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCN(CC[N@@H+]1CCOC[C@@H]1C)C1COC1 ZINC000451288518 202396771 /nfs/dbraw/zinc/39/67/71/202396771.db2.gz SQXPVLJDMPTDRT-NSHDSACASA-N 1 2 228.336 0.428 20 0 BCADLO CCN(CC[N@H+]1CCOC[C@@H]1C)C1COC1 ZINC000451288518 202396774 /nfs/dbraw/zinc/39/67/74/202396774.db2.gz SQXPVLJDMPTDRT-NSHDSACASA-N 1 2 228.336 0.428 20 0 BCADLO CC[N@H+](CC(=O)N1CCC(C)CC1)C1COC1 ZINC000451289855 202398584 /nfs/dbraw/zinc/39/85/84/202398584.db2.gz XAVPSBHNRYGUAF-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+](CC(=O)N1CCC(C)CC1)C1COC1 ZINC000451289855 202398586 /nfs/dbraw/zinc/39/85/86/202398586.db2.gz XAVPSBHNRYGUAF-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000578569550 366600308 /nfs/dbraw/zinc/60/03/08/366600308.db2.gz VZAUVDAMOVNYHH-BDAKNGLRSA-N 1 2 207.277 0.829 20 0 BCADLO CC[N@H+](CC(=O)N1CCCCC1)C1COC1 ZINC000451282024 202393526 /nfs/dbraw/zinc/39/35/26/202393526.db2.gz CWTXHTYRWDSQFD-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC[N@@H+](CC(=O)N1CCCCC1)C1COC1 ZINC000451282024 202393528 /nfs/dbraw/zinc/39/35/28/202393528.db2.gz CWTXHTYRWDSQFD-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1COCC[NH2+]1 ZINC000088369930 359947963 /nfs/dbraw/zinc/94/79/63/359947963.db2.gz ABFJAIMNQQOGIP-NSHDSACASA-N 1 2 248.282 0.548 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000578778758 366647517 /nfs/dbraw/zinc/64/75/17/366647517.db2.gz MNXDBVFZPWTGSS-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000612634716 359953473 /nfs/dbraw/zinc/95/34/73/359953473.db2.gz AJBVNTRAHHAHTH-UTINFBMNSA-N 1 2 235.287 0.163 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000612638645 359961193 /nfs/dbraw/zinc/96/11/93/359961193.db2.gz AXMNVSFEAKHPCY-OYNCUSHFSA-N 1 2 223.276 0.228 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000612638645 359961196 /nfs/dbraw/zinc/96/11/96/359961196.db2.gz AXMNVSFEAKHPCY-OYNCUSHFSA-N 1 2 223.276 0.228 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000088572222 359967601 /nfs/dbraw/zinc/96/76/01/359967601.db2.gz KVIVNVPAPGLAMW-NSHDSACASA-N 1 2 232.287 0.638 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612746478 360039990 /nfs/dbraw/zinc/03/99/90/360039990.db2.gz BDLGNHZHBZTAOH-LOWDOPEQSA-N 1 2 249.358 0.149 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612793016 360060279 /nfs/dbraw/zinc/06/02/79/360060279.db2.gz CBCSJYOBSICHOV-PSASIEDQSA-N 1 2 249.314 0.998 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612793016 360060283 /nfs/dbraw/zinc/06/02/83/360060283.db2.gz CBCSJYOBSICHOV-PSASIEDQSA-N 1 2 249.314 0.998 20 0 BCADLO CSCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658219 360082064 /nfs/dbraw/zinc/08/20/64/360082064.db2.gz XZBUOUQGNYAEOK-UHFFFAOYSA-N 1 2 242.348 0.151 20 0 BCADLO CSCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658219 360082068 /nfs/dbraw/zinc/08/20/68/360082068.db2.gz XZBUOUQGNYAEOK-UHFFFAOYSA-N 1 2 242.348 0.151 20 0 BCADLO CCSCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678778 360083076 /nfs/dbraw/zinc/08/30/76/360083076.db2.gz LRBDCBBJWUTHFE-UHFFFAOYSA-N 1 2 242.348 0.151 20 0 BCADLO CCSCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090678778 360083077 /nfs/dbraw/zinc/08/30/77/360083077.db2.gz LRBDCBBJWUTHFE-UHFFFAOYSA-N 1 2 242.348 0.151 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CCCC1 ZINC000090698427 360084072 /nfs/dbraw/zinc/08/40/72/360084072.db2.gz RWLWHDFLEHHIPT-GFCCVEGCSA-N 1 2 237.347 0.293 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccn1C ZINC000092042552 360147663 /nfs/dbraw/zinc/14/76/63/360147663.db2.gz GEFXHBNRRPDVJG-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccn1C ZINC000092042552 360147665 /nfs/dbraw/zinc/14/76/65/360147665.db2.gz GEFXHBNRRPDVJG-JQWIXIFHSA-N 1 2 224.304 0.607 20 0 BCADLO COC[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000091531642 360117499 /nfs/dbraw/zinc/11/74/99/360117499.db2.gz RNGDSYSFXDGQRB-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588133 360121104 /nfs/dbraw/zinc/12/11/04/360121104.db2.gz VBIGHTBMCHRATR-SFYZADRCSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@H]1C[C@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000091589279 360121321 /nfs/dbraw/zinc/12/13/21/360121321.db2.gz LWIZGFQYGXXZQM-DTWKUNHWSA-N 1 2 239.323 0.013 20 0 BCADLO C[C@H]1C[C@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000091589279 360121323 /nfs/dbraw/zinc/12/13/23/360121323.db2.gz LWIZGFQYGXXZQM-DTWKUNHWSA-N 1 2 239.323 0.013 20 0 BCADLO COCCN1CC[N@H+](CCSC)CC1=O ZINC000091832879 360132103 /nfs/dbraw/zinc/13/21/03/360132103.db2.gz FDBWVZIWJVELHB-UHFFFAOYSA-N 1 2 232.349 0.140 20 0 BCADLO COCCN1CC[N@@H+](CCSC)CC1=O ZINC000091832879 360132106 /nfs/dbraw/zinc/13/21/06/360132106.db2.gz FDBWVZIWJVELHB-UHFFFAOYSA-N 1 2 232.349 0.140 20 0 BCADLO CC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092617132 360184500 /nfs/dbraw/zinc/18/45/00/360184500.db2.gz OOCZVNKGVHZOJI-MRVPVSSYSA-N 1 2 210.281 0.863 20 0 BCADLO CC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092617132 360184505 /nfs/dbraw/zinc/18/45/05/360184505.db2.gz OOCZVNKGVHZOJI-MRVPVSSYSA-N 1 2 210.281 0.863 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617140 360184798 /nfs/dbraw/zinc/18/47/98/360184798.db2.gz NNGSNPBJDFZLJX-OCAPTIKFSA-N 1 2 210.281 0.576 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617140 360184801 /nfs/dbraw/zinc/18/48/01/360184801.db2.gz NNGSNPBJDFZLJX-OCAPTIKFSA-N 1 2 210.281 0.576 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCCO1 ZINC000092617888 360186666 /nfs/dbraw/zinc/18/66/66/360186666.db2.gz KVIXDQZQRBXMNU-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCCO1 ZINC000092617888 360186671 /nfs/dbraw/zinc/18/66/71/360186671.db2.gz KVIXDQZQRBXMNU-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000093083034 360215214 /nfs/dbraw/zinc/21/52/14/360215214.db2.gz VEBPGFBSBBBLPO-LLVKDONJSA-N 1 2 241.287 0.207 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000093083034 360215216 /nfs/dbraw/zinc/21/52/16/360215216.db2.gz VEBPGFBSBBBLPO-LLVKDONJSA-N 1 2 241.287 0.207 20 0 BCADLO Cn1nccc1C[N@H+](C)CCN1CCCC1=O ZINC000093320398 360231191 /nfs/dbraw/zinc/23/11/91/360231191.db2.gz IJHSBRFCCKFPIP-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1nccc1C[N@@H+](C)CCN1CCCC1=O ZINC000093320398 360231195 /nfs/dbraw/zinc/23/11/95/360231195.db2.gz IJHSBRFCCKFPIP-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000097998253 360386914 /nfs/dbraw/zinc/38/69/14/360386914.db2.gz KQEASPSNSTWLPX-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC000097998253 360386918 /nfs/dbraw/zinc/38/69/18/360386918.db2.gz KQEASPSNSTWLPX-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000514863633 360416569 /nfs/dbraw/zinc/41/65/69/360416569.db2.gz UWYZKTXYYMVJFQ-IUCAKERBSA-N 1 2 209.249 0.177 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000613158697 360456960 /nfs/dbraw/zinc/45/69/60/360456960.db2.gz GWVPYSFGZKBMDQ-SECBINFHSA-N 1 2 249.314 0.762 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000613158697 360456962 /nfs/dbraw/zinc/45/69/62/360456962.db2.gz GWVPYSFGZKBMDQ-SECBINFHSA-N 1 2 249.314 0.762 20 0 BCADLO COc1cc(NC(=O)CCc2c[nH+]c[nH]2)[nH]n1 ZINC000628630463 360580595 /nfs/dbraw/zinc/58/05/95/360580595.db2.gz WFFDYJLLLLLXME-UHFFFAOYSA-N 1 2 235.247 0.713 20 0 BCADLO COc1cc(NC(=O)CCc2c[nH]c[nH+]2)[nH]n1 ZINC000628630463 360580598 /nfs/dbraw/zinc/58/05/98/360580598.db2.gz WFFDYJLLLLLXME-UHFFFAOYSA-N 1 2 235.247 0.713 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC2(C1)CCCO2 ZINC000628785173 360650065 /nfs/dbraw/zinc/65/00/65/360650065.db2.gz BIWCXKBOOSSQLR-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO CCC[C@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912128 360745134 /nfs/dbraw/zinc/74/51/34/360745134.db2.gz BJSJQDPQOQTXPK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912128 360745137 /nfs/dbraw/zinc/74/51/37/360745137.db2.gz BJSJQDPQOQTXPK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cccnc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916996 360748511 /nfs/dbraw/zinc/74/85/11/360748511.db2.gz HJMAZNUVHPZWPM-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccnc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916996 360748515 /nfs/dbraw/zinc/74/85/15/360748515.db2.gz HJMAZNUVHPZWPM-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccoc1 ZINC000628914879 360748697 /nfs/dbraw/zinc/74/86/97/360748697.db2.gz NLPGKSRQEZIMCF-NSHDSACASA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccoc1 ZINC000628914879 360748702 /nfs/dbraw/zinc/74/87/02/360748702.db2.gz NLPGKSRQEZIMCF-NSHDSACASA-N 1 2 238.287 0.269 20 0 BCADLO C=C/C(C)=C/CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915329 360749687 /nfs/dbraw/zinc/74/96/87/360749687.db2.gz QZHKXXSAKQDZFT-JXDHDYMSSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C(C)=C/CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915329 360749693 /nfs/dbraw/zinc/74/96/93/360749693.db2.gz QZHKXXSAKQDZFT-JXDHDYMSSA-N 1 2 238.331 0.956 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC000628916385 360751313 /nfs/dbraw/zinc/75/13/13/360751313.db2.gz HQNZPYONMVMZDN-NSHDSACASA-N 1 2 224.304 0.399 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC000628916385 360751319 /nfs/dbraw/zinc/75/13/19/360751319.db2.gz HQNZPYONMVMZDN-NSHDSACASA-N 1 2 224.304 0.399 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917331 360752494 /nfs/dbraw/zinc/75/24/94/360752494.db2.gz MTOUWIJJIWQVDB-WDEREUQCSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917331 360752499 /nfs/dbraw/zinc/75/24/99/360752499.db2.gz MTOUWIJJIWQVDB-WDEREUQCSA-N 1 2 228.336 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000628917512 360752839 /nfs/dbraw/zinc/75/28/39/360752839.db2.gz JJOCDIAVSVYCIL-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000628917512 360752847 /nfs/dbraw/zinc/75/28/47/360752847.db2.gz JJOCDIAVSVYCIL-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917330 360753129 /nfs/dbraw/zinc/75/31/29/360753129.db2.gz MTOUWIJJIWQVDB-QWRGUYRKSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917330 360753131 /nfs/dbraw/zinc/75/31/31/360753131.db2.gz MTOUWIJJIWQVDB-QWRGUYRKSA-N 1 2 228.336 0.725 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920995 360754361 /nfs/dbraw/zinc/75/43/61/360754361.db2.gz ZRTWJELHGAXWPP-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920995 360754366 /nfs/dbraw/zinc/75/43/66/360754366.db2.gz ZRTWJELHGAXWPP-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923986 360757238 /nfs/dbraw/zinc/75/72/38/360757238.db2.gz XMTRMZDVVNFZIX-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923986 360757240 /nfs/dbraw/zinc/75/72/40/360757240.db2.gz XMTRMZDVVNFZIX-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925436 360758299 /nfs/dbraw/zinc/75/82/99/360758299.db2.gz HZQQDXDIMCNLPE-UTLUCORTSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925436 360758303 /nfs/dbraw/zinc/75/83/03/360758303.db2.gz HZQQDXDIMCNLPE-UTLUCORTSA-N 1 2 212.293 0.089 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC000628925867 360758558 /nfs/dbraw/zinc/75/85/58/360758558.db2.gz NPSQSEBBMKENIY-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC000628925867 360758562 /nfs/dbraw/zinc/75/85/62/360758562.db2.gz NPSQSEBBMKENIY-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC000628926899 360759609 /nfs/dbraw/zinc/75/96/09/360759609.db2.gz YLPBIDOFSYKUAS-LLVKDONJSA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC000628926899 360759611 /nfs/dbraw/zinc/75/96/11/360759611.db2.gz YLPBIDOFSYKUAS-LLVKDONJSA-N 1 2 235.287 0.142 20 0 BCADLO [NH3+]CC(F)(F)CNS(=O)(=O)CC1CCC1 ZINC000379705219 360779005 /nfs/dbraw/zinc/77/90/05/360779005.db2.gz NFQNYVQCTADPID-UHFFFAOYSA-N 1 2 242.291 0.300 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000153888682 360780340 /nfs/dbraw/zinc/78/03/40/360780340.db2.gz NEUUXWJLGIBJHY-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000153888682 360780344 /nfs/dbraw/zinc/78/03/44/360780344.db2.gz NEUUXWJLGIBJHY-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)NCCF ZINC000309556598 491151376 /nfs/dbraw/zinc/15/13/76/491151376.db2.gz JWZIILADHSQLAY-JGVFFNPUSA-N 1 2 228.271 0.535 20 0 BCADLO C/C=C\CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000629034822 360822559 /nfs/dbraw/zinc/82/25/59/360822559.db2.gz YNYSSBDKRHHCED-GZTOBOFZSA-N 1 2 236.319 0.715 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629122996 360888362 /nfs/dbraw/zinc/88/83/62/360888362.db2.gz AFOXTUBEPMWDFM-PWSUYJOCSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629122996 360888365 /nfs/dbraw/zinc/88/83/65/360888365.db2.gz AFOXTUBEPMWDFM-PWSUYJOCSA-N 1 2 249.314 0.944 20 0 BCADLO COC(=O)C1([NH2+]CCO)CCCCC1 ZINC000177718010 219869315 /nfs/dbraw/zinc/86/93/15/219869315.db2.gz PXJDIVDXEANSOH-UHFFFAOYSA-N 1 2 201.266 0.444 20 0 BCADLO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCCF)n1 ZINC000375263408 181314350 /nfs/dbraw/zinc/31/43/50/181314350.db2.gz LDMABSWINGBINT-SSDOTTSWSA-N 1 2 242.254 0.665 20 0 BCADLO NC(=O)c1noc([C@H]2CCC[N@H+]2CCCF)n1 ZINC000375263408 181314351 /nfs/dbraw/zinc/31/43/51/181314351.db2.gz LDMABSWINGBINT-SSDOTTSWSA-N 1 2 242.254 0.665 20 0 BCADLO O=C1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CN1 ZINC000309603752 491152255 /nfs/dbraw/zinc/15/22/55/491152255.db2.gz XIKGDRKDVLGCBC-MRVPVSSYSA-N 1 2 218.260 0.654 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCOC1 ZINC000414482108 200753660 /nfs/dbraw/zinc/75/36/60/200753660.db2.gz CTOFMTUYHAZPQU-UWVGGRQHSA-N 1 2 213.277 0.707 20 0 BCADLO CNc1[nH+]cnc2c1cnn2[C@H](C)[C@H](C)O ZINC000309631822 491153309 /nfs/dbraw/zinc/15/33/09/491153309.db2.gz IAKXENRRWGTJJZ-RQJHMYQMSA-N 1 2 221.264 0.810 20 0 BCADLO CCn1ncc(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000631207701 361019759 /nfs/dbraw/zinc/01/97/59/361019759.db2.gz KGNHWAPMUDUKTK-UHFFFAOYSA-N 1 2 247.302 0.907 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631208448 361060880 /nfs/dbraw/zinc/06/08/80/361060880.db2.gz YVXVUBMRPKIMCF-KXUCPTDWSA-N 1 2 237.303 0.882 20 0 BCADLO Cc1cnc(C(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000629472634 361085441 /nfs/dbraw/zinc/08/54/41/361085441.db2.gz GXEWNFNBHYBWMJ-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1cnc(C(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000629472634 361085444 /nfs/dbraw/zinc/08/54/44/361085444.db2.gz GXEWNFNBHYBWMJ-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO C/C=C\CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000629489198 361093726 /nfs/dbraw/zinc/09/37/26/361093726.db2.gz DKHUDRIRBHRTFX-XADBCAIWSA-N 1 2 234.259 0.449 20 0 BCADLO C/C=C\CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000629489198 361093732 /nfs/dbraw/zinc/09/37/32/361093732.db2.gz DKHUDRIRBHRTFX-XADBCAIWSA-N 1 2 234.259 0.449 20 0 BCADLO O=C(NC1COC1)C1CC[NH+](CC(F)F)CC1 ZINC000634259362 361140231 /nfs/dbraw/zinc/14/02/31/361140231.db2.gz SFZKGQWOYQBDAX-UHFFFAOYSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1COC1 ZINC000634260989 361149865 /nfs/dbraw/zinc/14/98/65/361149865.db2.gz XJEATDUSUMLEQU-SSDOTTSWSA-N 1 2 209.249 0.103 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1COC1 ZINC000634260989 361149871 /nfs/dbraw/zinc/14/98/71/361149871.db2.gz XJEATDUSUMLEQU-SSDOTTSWSA-N 1 2 209.249 0.103 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640488132 361280907 /nfs/dbraw/zinc/28/09/07/361280907.db2.gz SJWDOJDWTJLDSF-HKPALBBZSA-N 1 2 209.249 0.506 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640488132 361280913 /nfs/dbraw/zinc/28/09/13/361280913.db2.gz SJWDOJDWTJLDSF-HKPALBBZSA-N 1 2 209.249 0.506 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC000640489357 361283202 /nfs/dbraw/zinc/28/32/02/361283202.db2.gz XGLIQGUIZZSCMU-BXKDBHETSA-N 1 2 234.303 0.181 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC000640489357 361283209 /nfs/dbraw/zinc/28/32/09/361283209.db2.gz XGLIQGUIZZSCMU-BXKDBHETSA-N 1 2 234.303 0.181 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)n(C)n1 ZINC000575001995 361287581 /nfs/dbraw/zinc/28/75/81/361287581.db2.gz UGSMXPNVRKALIC-SECBINFHSA-N 1 2 247.302 0.872 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1C1CC1 ZINC000640477875 361253827 /nfs/dbraw/zinc/25/38/27/361253827.db2.gz UVNGFPVATFCPDX-CABZTGNLSA-N 1 2 234.303 0.488 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1C1CC1 ZINC000640477875 361253830 /nfs/dbraw/zinc/25/38/30/361253830.db2.gz UVNGFPVATFCPDX-CABZTGNLSA-N 1 2 234.303 0.488 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640480755 361263325 /nfs/dbraw/zinc/26/33/25/361263325.db2.gz IJCTXRDWQNXJSM-VXNVDRBHSA-N 1 2 211.290 0.413 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640480755 361263329 /nfs/dbraw/zinc/26/33/29/361263329.db2.gz IJCTXRDWQNXJSM-VXNVDRBHSA-N 1 2 211.290 0.413 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nnc(C)[nH]1 ZINC000428342297 201010011 /nfs/dbraw/zinc/01/00/11/201010011.db2.gz ACXPODZPOAADAK-MRVPVSSYSA-N 1 2 240.307 0.887 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000428342297 201010014 /nfs/dbraw/zinc/01/00/14/201010014.db2.gz ACXPODZPOAADAK-MRVPVSSYSA-N 1 2 240.307 0.887 20 0 BCADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2CCO)[nH]1 ZINC000428358344 201010381 /nfs/dbraw/zinc/01/03/81/201010381.db2.gz CMQPOQXVKUZOAH-SECBINFHSA-N 1 2 242.348 0.413 20 0 BCADLO Cc1nnc(C[N@H+]2CCSC[C@H]2CCO)[nH]1 ZINC000428358344 201010382 /nfs/dbraw/zinc/01/03/82/201010382.db2.gz CMQPOQXVKUZOAH-SECBINFHSA-N 1 2 242.348 0.413 20 0 BCADLO C[C@H]([NH2+]Cc1ccn[nH]1)C(C)(C)n1cncn1 ZINC000579179310 366727234 /nfs/dbraw/zinc/72/72/34/366727234.db2.gz SHOSNFWEOCFILJ-VIFPVBQESA-N 1 2 234.307 0.915 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(=O)C1CC1 ZINC000613216709 361323810 /nfs/dbraw/zinc/32/38/10/361323810.db2.gz YROWLSSGHYUXSL-NXEZZACHSA-N 1 2 247.298 0.619 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ncn1 ZINC000428435002 201016193 /nfs/dbraw/zinc/01/61/93/201016193.db2.gz MXNVWCMAHJKJPN-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)ncn1 ZINC000428435002 201016197 /nfs/dbraw/zinc/01/61/97/201016197.db2.gz MXNVWCMAHJKJPN-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000428468094 201022741 /nfs/dbraw/zinc/02/27/41/201022741.db2.gz CNZNZPHOKVQUEQ-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000428468094 201022743 /nfs/dbraw/zinc/02/27/43/201022743.db2.gz CNZNZPHOKVQUEQ-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000428468095 201023465 /nfs/dbraw/zinc/02/34/65/201023465.db2.gz CNZNZPHOKVQUEQ-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000428468095 201023469 /nfs/dbraw/zinc/02/34/69/201023469.db2.gz CNZNZPHOKVQUEQ-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1ccncn1 ZINC000428938124 201049066 /nfs/dbraw/zinc/04/90/66/201049066.db2.gz IDVDCKQCEJQZPO-UHFFFAOYSA-N 1 2 243.270 0.714 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(C)n2)[C@H](C)C1 ZINC000428942270 201049677 /nfs/dbraw/zinc/04/96/77/201049677.db2.gz YRQNQRUXPTYXIU-SECBINFHSA-N 1 2 223.324 0.639 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(C)n2)[C@H](C)C1 ZINC000428942270 201049681 /nfs/dbraw/zinc/04/96/81/201049681.db2.gz YRQNQRUXPTYXIU-SECBINFHSA-N 1 2 223.324 0.639 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)[nH]1 ZINC000428940939 201049803 /nfs/dbraw/zinc/04/98/03/201049803.db2.gz SNOWUJKWCMQIEM-WCBMZHEXSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1nnc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)[nH]1 ZINC000428940939 201049804 /nfs/dbraw/zinc/04/98/04/201049804.db2.gz SNOWUJKWCMQIEM-WCBMZHEXSA-N 1 2 240.307 0.085 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000429127624 201071746 /nfs/dbraw/zinc/07/17/46/201071746.db2.gz MUDWYEPAUFDJBO-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000429127624 201071748 /nfs/dbraw/zinc/07/17/48/201071748.db2.gz MUDWYEPAUFDJBO-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000429122622 201072234 /nfs/dbraw/zinc/07/22/34/201072234.db2.gz QFVAIFASQZHRMZ-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000429122622 201072237 /nfs/dbraw/zinc/07/22/37/201072237.db2.gz QFVAIFASQZHRMZ-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO O=C(C[C@H]1CC(=O)N1)Nc1ccn2cc[nH+]c2c1 ZINC000614275667 363768231 /nfs/dbraw/zinc/76/82/31/363768231.db2.gz KVVSOAOKBVUMMM-VIFPVBQESA-N 1 2 244.254 0.551 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C)c2cnn(C)c2)[nH]1 ZINC000162610134 361357199 /nfs/dbraw/zinc/35/71/99/361357199.db2.gz GGNMGMIHZYFCBT-QMMMGPOBSA-N 1 2 234.307 0.951 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000429261761 201086485 /nfs/dbraw/zinc/08/64/85/201086485.db2.gz ROHJAQASVXYYRT-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000429261761 201086488 /nfs/dbraw/zinc/08/64/88/201086488.db2.gz ROHJAQASVXYYRT-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CNS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000429251993 201083083 /nfs/dbraw/zinc/08/30/83/201083083.db2.gz JYILVRUTIRRKGQ-UHFFFAOYSA-N 1 2 246.336 0.093 20 0 BCADLO CSC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000579274028 366753812 /nfs/dbraw/zinc/75/38/12/366753812.db2.gz MCFOQXBFTOZZME-UHFFFAOYSA-N 1 2 239.344 0.974 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cs1 ZINC000579283600 366753829 /nfs/dbraw/zinc/75/38/29/366753829.db2.gz NGIDGZLZJMHUNH-MWLCHTKSSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cs1 ZINC000579283600 366753838 /nfs/dbraw/zinc/75/38/38/366753838.db2.gz NGIDGZLZJMHUNH-MWLCHTKSSA-N 1 2 242.344 0.627 20 0 BCADLO CC1(CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000429453061 201108850 /nfs/dbraw/zinc/10/88/50/201108850.db2.gz YBJFUMMIRZZGEX-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cccnc2)c1 ZINC000170182426 361397976 /nfs/dbraw/zinc/39/79/76/361397976.db2.gz HFFPLHBXXCPFLH-UHFFFAOYSA-N 1 2 230.271 0.788 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCc3n[nH]nc3C2)n1 ZINC000429293035 201095062 /nfs/dbraw/zinc/09/50/62/201095062.db2.gz YMRGGQLSFCLVDO-UHFFFAOYSA-N 1 2 246.318 0.676 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCc3n[nH]nc3C2)n1 ZINC000429293035 201095064 /nfs/dbraw/zinc/09/50/64/201095064.db2.gz YMRGGQLSFCLVDO-UHFFFAOYSA-N 1 2 246.318 0.676 20 0 BCADLO FC(F)COCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429319444 201102255 /nfs/dbraw/zinc/10/22/55/201102255.db2.gz RPJGAZLTVOCGDE-UHFFFAOYSA-N 1 2 232.234 0.445 20 0 BCADLO FC(F)COCC[N@H+]1CCc2nn[nH]c2C1 ZINC000429319444 201102258 /nfs/dbraw/zinc/10/22/58/201102258.db2.gz RPJGAZLTVOCGDE-UHFFFAOYSA-N 1 2 232.234 0.445 20 0 BCADLO COCCOCC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429560093 201116749 /nfs/dbraw/zinc/11/67/49/201116749.db2.gz MXCLRRIVVRGOAZ-BDJLRTHQSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429560093 201116751 /nfs/dbraw/zinc/11/67/51/201116751.db2.gz MXCLRRIVVRGOAZ-BDJLRTHQSA-N 1 2 249.376 0.492 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429571875 201119111 /nfs/dbraw/zinc/11/91/11/201119111.db2.gz SNFMYCQJSGNYBH-YNHOBRIKSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429571875 201119115 /nfs/dbraw/zinc/11/91/15/201119115.db2.gz SNFMYCQJSGNYBH-YNHOBRIKSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H]1CCN(Cc2[nH+]ccn2C)CC[S@@]1=O ZINC000429585258 201122041 /nfs/dbraw/zinc/12/20/41/201122041.db2.gz IRKVMBZLCXPRHO-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000429636601 201123764 /nfs/dbraw/zinc/12/37/64/201123764.db2.gz UKGVECIBBUSVDH-ONGXEEELSA-N 1 2 227.304 0.701 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000429636601 201123766 /nfs/dbraw/zinc/12/37/66/201123766.db2.gz UKGVECIBBUSVDH-ONGXEEELSA-N 1 2 227.304 0.701 20 0 BCADLO CC(=O)CSCCCN1CC[NH+](C)CC1 ZINC000181322529 366803510 /nfs/dbraw/zinc/80/35/10/366803510.db2.gz GSNUJIAKFQBTAM-UHFFFAOYSA-N 1 2 230.377 0.946 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(C)CC2)C1 ZINC000429990101 201136561 /nfs/dbraw/zinc/13/65/61/201136561.db2.gz MKLMCSUFURLOTC-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(C)CC2)C1 ZINC000429990101 201136564 /nfs/dbraw/zinc/13/65/64/201136564.db2.gz MKLMCSUFURLOTC-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cocn1 ZINC000432729601 201164017 /nfs/dbraw/zinc/16/40/17/201164017.db2.gz QXQLRKDAPFXCSF-SNVBAGLBSA-N 1 2 228.317 0.974 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1cocn1 ZINC000432729601 201164020 /nfs/dbraw/zinc/16/40/20/201164020.db2.gz QXQLRKDAPFXCSF-SNVBAGLBSA-N 1 2 228.317 0.974 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2ncccc12 ZINC000433983260 201202031 /nfs/dbraw/zinc/20/20/31/201202031.db2.gz KJTGBOQGRYJGAN-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2ncccc12 ZINC000433983260 201202032 /nfs/dbraw/zinc/20/20/32/201202032.db2.gz KJTGBOQGRYJGAN-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)CCO)[nH+]1 ZINC000433776473 201192716 /nfs/dbraw/zinc/19/27/16/201192716.db2.gz DPRQSHRIRIUHEG-UHFFFAOYSA-N 1 2 206.249 0.695 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000629687885 361611751 /nfs/dbraw/zinc/61/17/51/361611751.db2.gz CAOFJJPINBCANT-KYZUINATSA-N 1 2 223.276 0.554 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2[nH+]c[nH]c2C)C1 ZINC000629687885 361611756 /nfs/dbraw/zinc/61/17/56/361611756.db2.gz CAOFJJPINBCANT-KYZUINATSA-N 1 2 223.276 0.554 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(C)(C)C)CC(=O)N1 ZINC000448551668 201225305 /nfs/dbraw/zinc/22/53/05/201225305.db2.gz QRNKBAGRFHLVDD-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(C)(C)C)CC(=O)N1 ZINC000448551668 201225308 /nfs/dbraw/zinc/22/53/08/201225308.db2.gz QRNKBAGRFHLVDD-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000629689479 361623118 /nfs/dbraw/zinc/62/31/18/361623118.db2.gz FUEOVPUZPCJAGH-CKYFFXLPSA-N 1 2 249.314 0.739 20 0 BCADLO CCC[C@@H](OC)C(=O)NCC[NH+]1CCOCC1 ZINC000448561093 201275879 /nfs/dbraw/zinc/27/58/79/201275879.db2.gz LSKOPNUSDQJMKB-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000435876257 201291762 /nfs/dbraw/zinc/29/17/62/201291762.db2.gz HRLLXPFYRHZFRG-GHMZBOCLSA-N 1 2 241.335 0.416 20 0 BCADLO Cc1ncccc1C[NH+]1CCN(CCO)CC1 ZINC000154564266 201283066 /nfs/dbraw/zinc/28/30/66/201283066.db2.gz XTOVDKHCUIXXEN-UHFFFAOYSA-N 1 2 235.331 0.500 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC1(O)CCC1 ZINC000435706358 201283709 /nfs/dbraw/zinc/28/37/09/201283709.db2.gz RMBXSUQOBJYXAK-UHFFFAOYSA-N 1 2 233.275 0.783 20 0 BCADLO CCN(C)C(=O)Cn1ncc2c1nc[nH+]c2NC ZINC000435780414 201288913 /nfs/dbraw/zinc/28/89/13/201288913.db2.gz CVRJPHAYZTXQIF-UHFFFAOYSA-N 1 2 248.290 0.346 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000436437984 201326977 /nfs/dbraw/zinc/32/69/77/201326977.db2.gz YTWMZQMZPMPLPE-SSDOTTSWSA-N 1 2 231.259 0.567 20 0 BCADLO CC[NH+](CC)Cc1nnc2n1CCOC2 ZINC000436176825 201312335 /nfs/dbraw/zinc/31/23/35/201312335.db2.gz RIFHFKBKDUUSAF-UHFFFAOYSA-N 1 2 210.281 0.650 20 0 BCADLO CO[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000629815416 361713033 /nfs/dbraw/zinc/71/30/33/361713033.db2.gz AIGFHXBQEWCATJ-AOOOYVTPSA-N 1 2 223.276 0.424 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000614545684 363842718 /nfs/dbraw/zinc/84/27/18/363842718.db2.gz JXYFQWFYOKVISW-NXEZZACHSA-N 1 2 249.314 0.507 20 0 BCADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1(CO)CC1 ZINC000614769127 363960331 /nfs/dbraw/zinc/96/03/31/363960331.db2.gz DXHWUOGOJLLGSN-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1(CO)CC1 ZINC000614774355 363969939 /nfs/dbraw/zinc/96/99/39/363969939.db2.gz WFQAJSBTLLMXIC-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1(CO)CC1 ZINC000614774355 363969941 /nfs/dbraw/zinc/96/99/41/363969941.db2.gz WFQAJSBTLLMXIC-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614886257 364033310 /nfs/dbraw/zinc/03/33/10/364033310.db2.gz PDBKUWYFTWUOTP-HTQZYQBOSA-N 1 2 225.267 0.989 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614886257 364033316 /nfs/dbraw/zinc/03/33/16/364033316.db2.gz PDBKUWYFTWUOTP-HTQZYQBOSA-N 1 2 225.267 0.989 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CC1 ZINC000630409285 364141927 /nfs/dbraw/zinc/14/19/27/364141927.db2.gz KSQMZHQBZHNKEK-UHFFFAOYSA-N 1 2 208.265 0.961 20 0 BCADLO COC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409517 364142672 /nfs/dbraw/zinc/14/26/72/364142672.db2.gz VGNBEUPMYHTMLC-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCCO1 ZINC000630409658 364142760 /nfs/dbraw/zinc/14/27/60/364142760.db2.gz WVQAZQHOLQRWOJ-SECBINFHSA-N 1 2 238.291 0.730 20 0 BCADLO C[NH+]1CCN(C(=O)c2csc(CO)n2)CC1 ZINC000630388583 364104095 /nfs/dbraw/zinc/10/40/95/364104095.db2.gz JYXAIUNRWKJINN-UHFFFAOYSA-N 1 2 241.316 0.023 20 0 BCADLO NS(=O)(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000725262438 541335547 /nfs/dbraw/zinc/33/55/47/541335547.db2.gz BPNJEGMCHGCWHU-UHFFFAOYSA-N 1 2 228.264 0.006 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnnn1C ZINC000622083849 370700005 /nfs/dbraw/zinc/70/00/05/370700005.db2.gz NIWCWNLDZLIKJF-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CC=CC1 ZINC000630407744 364145957 /nfs/dbraw/zinc/14/59/57/364145957.db2.gz DHCCPEKFIJZJIR-UHFFFAOYSA-N 1 2 220.276 0.855 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000622111787 370716252 /nfs/dbraw/zinc/71/62/52/370716252.db2.gz FQBJDKUURSSXQA-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO O=C1CC[N@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000065955110 364176701 /nfs/dbraw/zinc/17/67/01/364176701.db2.gz DRRVPOAHHIFBJB-UHFFFAOYSA-N 1 2 236.275 0.269 20 0 BCADLO O=C1CC[N@@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000065955110 364176711 /nfs/dbraw/zinc/17/67/11/364176711.db2.gz DRRVPOAHHIFBJB-UHFFFAOYSA-N 1 2 236.275 0.269 20 0 BCADLO O=C(N1CCC1)C1([NH+]2CCOCC2)CC1 ZINC000630571078 364266329 /nfs/dbraw/zinc/26/63/29/364266329.db2.gz JBMKOSLHHBQFSJ-UHFFFAOYSA-N 1 2 210.277 0.084 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191706283 219934940 /nfs/dbraw/zinc/93/49/40/219934940.db2.gz DTPGWDMIWYVNFE-DJLDLDEBSA-N 1 2 203.282 0.951 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1-c1ccccn1 ZINC000630598775 364316148 /nfs/dbraw/zinc/31/61/48/364316148.db2.gz GIAMOXFLLKEWOY-JTQLQIEISA-N 1 2 231.259 0.323 20 0 BCADLO C[N@H+](CCO)Cc1cn(-c2ccccn2)nn1 ZINC000630599505 364317775 /nfs/dbraw/zinc/31/77/75/364317775.db2.gz UICMFGRHPIUHSJ-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO C[N@@H+](CCO)Cc1cn(-c2ccccn2)nn1 ZINC000630599505 364317776 /nfs/dbraw/zinc/31/77/76/364317776.db2.gz UICMFGRHPIUHSJ-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO CO[C@H](C)CS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000579495443 366833642 /nfs/dbraw/zinc/83/36/42/366833642.db2.gz AXSFMKCXVNOWOL-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO CO[C@H](C)CS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000579495443 366833643 /nfs/dbraw/zinc/83/36/43/366833643.db2.gz AXSFMKCXVNOWOL-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@@H](C)O)[nH]1 ZINC000181719177 366840729 /nfs/dbraw/zinc/84/07/29/366840729.db2.gz FFBLNWRBNADUDY-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@@H](C)O)[nH]1 ZINC000181719177 366840735 /nfs/dbraw/zinc/84/07/35/366840735.db2.gz FFBLNWRBNADUDY-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CC(C)=CC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181599901 366830970 /nfs/dbraw/zinc/83/09/70/366830970.db2.gz LBUPELAZMLOENM-NSHDSACASA-N 1 2 246.376 0.918 20 0 BCADLO CC(C)=CC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181599901 366830974 /nfs/dbraw/zinc/83/09/74/366830974.db2.gz LBUPELAZMLOENM-NSHDSACASA-N 1 2 246.376 0.918 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCO1 ZINC000579540637 366850043 /nfs/dbraw/zinc/85/00/43/366850043.db2.gz ZJBVHENLRDIDDH-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO CCOC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000630735497 364523419 /nfs/dbraw/zinc/52/34/19/364523419.db2.gz UEQNGKVVLZFBJP-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO COCc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000182072460 366865064 /nfs/dbraw/zinc/86/50/64/366865064.db2.gz BSNQNKCPJIEHGE-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000182072460 366865068 /nfs/dbraw/zinc/86/50/68/366865068.db2.gz BSNQNKCPJIEHGE-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CSC1 ZINC000630746475 364532611 /nfs/dbraw/zinc/53/26/11/364532611.db2.gz AUKBKRREBANDMZ-MRVPVSSYSA-N 1 2 225.317 0.751 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865934 364546340 /nfs/dbraw/zinc/54/63/40/364546340.db2.gz QUXZUFGJOZOQAD-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865934 364546345 /nfs/dbraw/zinc/54/63/45/364546345.db2.gz QUXZUFGJOZOQAD-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(CCc1cn[nH]n1)N1CC[NH+](C2CC2)CC1 ZINC000630840051 364589571 /nfs/dbraw/zinc/58/95/71/364589571.db2.gz OPEDKTQOZGXELO-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO O=C(CCc1c[nH]nn1)N1CC[NH+](C2CC2)CC1 ZINC000630840051 364589578 /nfs/dbraw/zinc/58/95/78/364589578.db2.gz OPEDKTQOZGXELO-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO O=C(CCc1cnn[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000630840051 364589583 /nfs/dbraw/zinc/58/95/83/364589583.db2.gz OPEDKTQOZGXELO-UHFFFAOYSA-N 1 2 249.318 0.044 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H]2C[C@H]21 ZINC000615175857 364594107 /nfs/dbraw/zinc/59/41/07/364594107.db2.gz MDXBKNQVJUEAOQ-BFLSOPEQSA-N 1 2 247.298 0.523 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615189434 364614421 /nfs/dbraw/zinc/61/44/21/364614421.db2.gz YHMPBSVIQHMAMA-IVZWLZJFSA-N 1 2 237.303 0.411 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387918602 541369427 /nfs/dbraw/zinc/36/94/27/541369427.db2.gz OQTFVYSIUYQDQH-NXEZZACHSA-N 1 2 239.323 0.286 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387918602 541369433 /nfs/dbraw/zinc/36/94/33/541369433.db2.gz OQTFVYSIUYQDQH-NXEZZACHSA-N 1 2 239.323 0.286 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000615222109 364641557 /nfs/dbraw/zinc/64/15/57/364641557.db2.gz PKNJNEXFSSZUJH-QMMMGPOBSA-N 1 2 238.291 0.847 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000615222109 364641561 /nfs/dbraw/zinc/64/15/61/364641561.db2.gz PKNJNEXFSSZUJH-QMMMGPOBSA-N 1 2 238.291 0.847 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000615226281 364645811 /nfs/dbraw/zinc/64/58/11/364645811.db2.gz JRLLWBITLZXCRI-SSDOTTSWSA-N 1 2 224.264 0.456 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000615226281 364645812 /nfs/dbraw/zinc/64/58/12/364645812.db2.gz JRLLWBITLZXCRI-SSDOTTSWSA-N 1 2 224.264 0.456 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000615226283 364645823 /nfs/dbraw/zinc/64/58/23/364645823.db2.gz JRLLWBITLZXCRI-ZETCQYMHSA-N 1 2 224.264 0.456 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000615226283 364645824 /nfs/dbraw/zinc/64/58/24/364645824.db2.gz JRLLWBITLZXCRI-ZETCQYMHSA-N 1 2 224.264 0.456 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000615235406 364651331 /nfs/dbraw/zinc/65/13/31/364651331.db2.gz DTWQOEVZVQPWBS-SSDOTTSWSA-N 1 2 246.274 0.282 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000615235406 364651335 /nfs/dbraw/zinc/65/13/35/364651335.db2.gz DTWQOEVZVQPWBS-SSDOTTSWSA-N 1 2 246.274 0.282 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615297335 364678341 /nfs/dbraw/zinc/67/83/41/364678341.db2.gz WQZHVKLSCKTBEQ-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC000615364868 364741927 /nfs/dbraw/zinc/74/19/27/364741927.db2.gz OARDZXARZFBBMJ-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cn2c(n1)CCC2 ZINC000566071348 364713169 /nfs/dbraw/zinc/71/31/69/364713169.db2.gz SLQVTIHSNMUIKL-UHFFFAOYSA-N 1 2 245.286 0.456 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@@](C)(O)C1)n1cc[nH+]c1 ZINC000566074125 364713291 /nfs/dbraw/zinc/71/32/91/364713291.db2.gz SNIQEPDBJFTQDI-CMPLNLGQSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)O1 ZINC000333018317 364774440 /nfs/dbraw/zinc/77/44/40/364774440.db2.gz UWNRBRIXVFRZBC-MXWKQRLJSA-N 1 2 249.314 0.882 20 0 BCADLO CO[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000573541634 364855807 /nfs/dbraw/zinc/85/58/07/364855807.db2.gz DKJWVNSVRDHIER-GHMZBOCLSA-N 1 2 249.314 0.957 20 0 BCADLO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)OC ZINC000573566448 364863480 /nfs/dbraw/zinc/86/34/80/364863480.db2.gz BBCFOXNGIIKZOL-DTWKUNHWSA-N 1 2 203.282 0.546 20 0 BCADLO CCc1ncc(CNC(=O)Cn2cc[nH+]c2)o1 ZINC000573452489 364838112 /nfs/dbraw/zinc/83/81/12/364838112.db2.gz RMMHFCQPLISAIU-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573457553 364839057 /nfs/dbraw/zinc/83/90/57/364839057.db2.gz WBNKZIGCNHPDAT-MWLCHTKSSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573457553 364839063 /nfs/dbraw/zinc/83/90/63/364839063.db2.gz WBNKZIGCNHPDAT-MWLCHTKSSA-N 1 2 239.319 0.721 20 0 BCADLO Cc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)on1 ZINC000553051545 325675464 /nfs/dbraw/zinc/67/54/64/325675464.db2.gz RWEMZAXHRNCHGA-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000168183650 364879599 /nfs/dbraw/zinc/87/95/99/364879599.db2.gz WGJWHEYRLXYVTR-YIZRAAEISA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C(=O)OC(C)(C)C ZINC000573749071 364909636 /nfs/dbraw/zinc/90/96/36/364909636.db2.gz NLWWQHKSWICDQE-DTWKUNHWSA-N 1 2 244.335 0.960 20 0 BCADLO C[C@@H]1OCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000283363073 541406634 /nfs/dbraw/zinc/40/66/34/541406634.db2.gz JBOKYDCYVQTUOS-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cncc(F)c1 ZINC000336014916 541424180 /nfs/dbraw/zinc/42/41/80/541424180.db2.gz KETGRLFVMXDFCW-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccn[nH]1 ZINC000336017660 541424622 /nfs/dbraw/zinc/42/46/22/541424622.db2.gz OETCOTLAESOOOF-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccn1 ZINC000623259867 541426247 /nfs/dbraw/zinc/42/62/47/541426247.db2.gz MYKXPZPCFJVZFZ-NSHDSACASA-N 1 2 242.282 0.941 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574200559 365009556 /nfs/dbraw/zinc/00/95/56/365009556.db2.gz MTGRIOPWZJKMSC-XPUUQOCRSA-N 1 2 229.305 0.294 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000574461902 365067486 /nfs/dbraw/zinc/06/74/86/365067486.db2.gz CLNWMXUHERENIV-LBPRGKRZSA-N 1 2 234.303 0.275 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000574461902 365067488 /nfs/dbraw/zinc/06/74/88/365067488.db2.gz CLNWMXUHERENIV-LBPRGKRZSA-N 1 2 234.303 0.275 20 0 BCADLO COc1ccccc1N1C(=O)C[C@@H]([NH3+])C1=O ZINC000574530268 365085595 /nfs/dbraw/zinc/08/55/95/365085595.db2.gz WBCJEZNNZFFHTI-SSDOTTSWSA-N 1 2 220.228 0.286 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(CCOC2)C1 ZINC000574883206 365168292 /nfs/dbraw/zinc/16/82/92/365168292.db2.gz BRQPWXLZKRONPU-CYBMUJFWSA-N 1 2 249.314 0.912 20 0 BCADLO CCOC[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000444088779 193034085 /nfs/dbraw/zinc/03/40/85/193034085.db2.gz TZMRSXLCLLVFQK-JTQLQIEISA-N 1 2 247.298 0.861 20 0 BCADLO C[C@H](NC(=O)N1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171716205 365228739 /nfs/dbraw/zinc/22/87/39/365228739.db2.gz UKNZPEKVJPIGAR-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO COC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000575227721 365252946 /nfs/dbraw/zinc/25/29/46/365252946.db2.gz PPVKKVFNKCHTFS-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO C[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000575185447 365233164 /nfs/dbraw/zinc/23/31/64/365233164.db2.gz HJGZOVIOCXRXJR-MNOVXSKESA-N 1 2 237.303 0.645 20 0 BCADLO CC[N@@H+](Cc1nncn1C)C[C@H]1CCCO1 ZINC000172171961 365298231 /nfs/dbraw/zinc/29/82/31/365298231.db2.gz GXLAUONUKYMMFU-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1nncn1C)C[C@H]1CCCO1 ZINC000172171961 365298237 /nfs/dbraw/zinc/29/82/37/365298237.db2.gz GXLAUONUKYMMFU-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2ccno2)CC1 ZINC000576017998 365452064 /nfs/dbraw/zinc/45/20/64/365452064.db2.gz WVXUVAXBQYSKJX-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2ccno2)CC1 ZINC000576017998 365452067 /nfs/dbraw/zinc/45/20/67/365452067.db2.gz WVXUVAXBQYSKJX-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NCCC(N)=O)ccn12 ZINC000579609962 366907403 /nfs/dbraw/zinc/90/74/03/366907403.db2.gz NGHBNAXREPXIKK-UHFFFAOYSA-N 1 2 246.270 0.248 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000579626391 366915012 /nfs/dbraw/zinc/91/50/12/366915012.db2.gz WDZXXBVKMGEWPL-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371285 541481010 /nfs/dbraw/zinc/48/10/10/541481010.db2.gz ICHMSSBFRJKAIW-ZYHUDNBSSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371285 541481018 /nfs/dbraw/zinc/48/10/18/541481018.db2.gz ICHMSSBFRJKAIW-ZYHUDNBSSA-N 1 2 242.319 0.132 20 0 BCADLO CC(C)C[C@H](CO)[N@H+](C)Cc1nncn1C ZINC000185319754 367128132 /nfs/dbraw/zinc/12/81/32/367128132.db2.gz OGQHZBUYQCUVKI-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1nncn1C ZINC000185319754 367128137 /nfs/dbraw/zinc/12/81/37/367128137.db2.gz OGQHZBUYQCUVKI-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO C[C@@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000565108666 325856526 /nfs/dbraw/zinc/85/65/26/325856526.db2.gz JBBKEONMJVJSEM-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO CC(C)(NC(=O)Cn1cccn1)c1[nH]cc[nH+]1 ZINC000579961629 367104466 /nfs/dbraw/zinc/10/44/66/367104466.db2.gz LVBXLXCMSJKUQU-UHFFFAOYSA-N 1 2 233.275 0.658 20 0 BCADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccnn1C ZINC000622307727 370835698 /nfs/dbraw/zinc/83/56/98/370835698.db2.gz JZTRPDYQULMWEI-JTQLQIEISA-N 1 2 247.302 0.537 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccsn1 ZINC000622308232 370836837 /nfs/dbraw/zinc/83/68/37/370836837.db2.gz ZFKQKTMCXBOYNS-UHFFFAOYSA-N 1 2 222.273 0.770 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CC[S@]1=O ZINC000580825735 367176790 /nfs/dbraw/zinc/17/67/90/367176790.db2.gz GCHFEZBLSYCVRV-JDNHERCYSA-N 1 2 240.328 0.740 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CC[S@]1=O ZINC000580825735 367176798 /nfs/dbraw/zinc/17/67/98/367176798.db2.gz GCHFEZBLSYCVRV-JDNHERCYSA-N 1 2 240.328 0.740 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H](O)C1CCC1 ZINC000622284046 370821835 /nfs/dbraw/zinc/82/18/35/370821835.db2.gz MKBPJQIVFJLSNR-NSHDSACASA-N 1 2 237.303 0.540 20 0 BCADLO CN1CC[N@H+](CC(=O)N2CCCC2)CC1(C)C ZINC000580781904 367164971 /nfs/dbraw/zinc/16/49/71/367164971.db2.gz LXIMHRMRXPYCRM-UHFFFAOYSA-N 1 2 239.363 0.635 20 0 BCADLO CN1CC[N@@H+](CC(=O)N2CCCC2)CC1(C)C ZINC000580781904 367164972 /nfs/dbraw/zinc/16/49/72/367164972.db2.gz LXIMHRMRXPYCRM-UHFFFAOYSA-N 1 2 239.363 0.635 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)c2nccn21 ZINC000581136897 367273649 /nfs/dbraw/zinc/27/36/49/367273649.db2.gz HKXOHDAMCDLNTP-NXEZZACHSA-N 1 2 245.286 0.902 20 0 BCADLO CS[C@H](CO)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000380697933 367280702 /nfs/dbraw/zinc/28/07/02/367280702.db2.gz KIQKGCKSFFWBBC-RKDXNWHRSA-N 1 2 243.332 0.112 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000581008152 367232623 /nfs/dbraw/zinc/23/26/23/367232623.db2.gz AIQNXAVYFHUKFZ-LBPRGKRZSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@](C)(O)C1 ZINC000581008152 367232631 /nfs/dbraw/zinc/23/26/31/367232631.db2.gz AIQNXAVYFHUKFZ-LBPRGKRZSA-N 1 2 236.319 0.649 20 0 BCADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)on1 ZINC000581024019 367241189 /nfs/dbraw/zinc/24/11/89/367241189.db2.gz YZCUKUCLFNSZCZ-AOOOYVTPSA-N 1 2 210.233 0.274 20 0 BCADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)on1 ZINC000581024019 367241196 /nfs/dbraw/zinc/24/11/96/367241196.db2.gz YZCUKUCLFNSZCZ-AOOOYVTPSA-N 1 2 210.233 0.274 20 0 BCADLO C[C@H](CC(=O)N1CC(C)(O)C1)n1cc[nH+]c1 ZINC000581493263 367523477 /nfs/dbraw/zinc/52/34/77/367523477.db2.gz LWNVMCJSHCOAGB-SECBINFHSA-N 1 2 223.276 0.427 20 0 BCADLO C[C@H](O)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000383580686 367641301 /nfs/dbraw/zinc/64/13/01/367641301.db2.gz LUHPZSAYSWSSBT-WDEREUQCSA-N 1 2 237.303 0.645 20 0 BCADLO CCN(CCC(=O)OC)C(=O)Cn1cc[nH+]c1 ZINC000383741997 367651507 /nfs/dbraw/zinc/65/15/07/367651507.db2.gz ILZBMAFOJPYRNS-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn(CC2CC2)nn1 ZINC000622384673 370881324 /nfs/dbraw/zinc/88/13/24/370881324.db2.gz OIMBLOMZOTXHQS-UHFFFAOYSA-N 1 2 246.274 0.341 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn(CC2CC2)nn1 ZINC000622384673 370881327 /nfs/dbraw/zinc/88/13/27/370881327.db2.gz OIMBLOMZOTXHQS-UHFFFAOYSA-N 1 2 246.274 0.341 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000385036018 367777466 /nfs/dbraw/zinc/77/74/66/367777466.db2.gz QOQJXLNJVFAKGU-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](O)C1CCC1 ZINC000622366892 370872248 /nfs/dbraw/zinc/87/22/48/370872248.db2.gz SXQXNOVCQXFXDZ-VIFPVBQESA-N 1 2 209.249 0.187 20 0 BCADLO CCc1noc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000069019311 370874377 /nfs/dbraw/zinc/87/43/77/370874377.db2.gz WZZZGJRORQSUGP-UHFFFAOYSA-N 1 2 235.291 0.998 20 0 BCADLO CC[C@H]1[C@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000385728010 367858699 /nfs/dbraw/zinc/85/86/99/367858699.db2.gz TULKCKLPLGYDAS-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO CCc1nc(CNC(=O)C2([NH+](C)C)CC2)n[nH]1 ZINC000615450563 367888426 /nfs/dbraw/zinc/88/84/26/367888426.db2.gz NLGFVDXVCNVQRY-UHFFFAOYSA-N 1 2 237.307 0.078 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385977902 367892517 /nfs/dbraw/zinc/89/25/17/367892517.db2.gz PWIMKDLRBNMCOT-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385977902 367892521 /nfs/dbraw/zinc/89/25/21/367892521.db2.gz PWIMKDLRBNMCOT-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H]1COc2ccccc2O1 ZINC000015296962 367937650 /nfs/dbraw/zinc/93/76/50/367937650.db2.gz MIZDBJMIUIWUKD-SECBINFHSA-N 1 2 236.271 0.244 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H]1COc2ccccc2O1 ZINC000015296962 367937657 /nfs/dbraw/zinc/93/76/57/367937657.db2.gz MIZDBJMIUIWUKD-SECBINFHSA-N 1 2 236.271 0.244 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)[C@H](C)O1 ZINC000630921606 367952039 /nfs/dbraw/zinc/95/20/39/367952039.db2.gz GCUAYDTYCPVZKG-KXUCPTDWSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615478656 368056971 /nfs/dbraw/zinc/05/69/71/368056971.db2.gz PTWPYDNYQYBDJT-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCOCCN1 ZINC000615489197 368065503 /nfs/dbraw/zinc/06/55/03/368065503.db2.gz RCMFZMXUIXUCQC-UHFFFAOYSA-N 1 2 238.291 0.027 20 0 BCADLO CC(=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000615518632 368086981 /nfs/dbraw/zinc/08/69/81/368086981.db2.gz ZSCFCUAVWVYWKV-GFCCVEGCSA-N 1 2 249.314 0.933 20 0 BCADLO C[C@H](CNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000029958013 368246205 /nfs/dbraw/zinc/24/62/05/368246205.db2.gz GKWWKCMSPHAWSL-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)CO ZINC000566468595 326052110 /nfs/dbraw/zinc/05/21/10/326052110.db2.gz OSAQFWNOWZMXDY-UHFFFAOYSA-N 1 2 225.292 0.538 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCOC1 ZINC000615762695 368282503 /nfs/dbraw/zinc/28/25/03/368282503.db2.gz DDWZNONQNUHEME-UHFFFAOYSA-N 1 2 235.287 0.578 20 0 BCADLO COC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000044074291 368412623 /nfs/dbraw/zinc/41/26/23/368412623.db2.gz ZOZNEVPQJVEUKW-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)n1cncn1 ZINC000045159012 368425341 /nfs/dbraw/zinc/42/53/41/368425341.db2.gz HJYVCGQRQHRRDR-SNVBAGLBSA-N 1 2 248.290 0.242 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)NCCC ZINC000045805071 368430637 /nfs/dbraw/zinc/43/06/37/368430637.db2.gz OJBFTCWYNVBNAZ-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCCC ZINC000045805071 368430641 /nfs/dbraw/zinc/43/06/41/368430641.db2.gz OJBFTCWYNVBNAZ-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774169 368450508 /nfs/dbraw/zinc/45/05/08/368450508.db2.gz KSDKVVXTVUWCSN-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774169 368450512 /nfs/dbraw/zinc/45/05/12/368450512.db2.gz KSDKVVXTVUWCSN-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCO[C@H](CC)C(=O)N1CC[NH+](C)CC1 ZINC000057179299 368485129 /nfs/dbraw/zinc/48/51/29/368485129.db2.gz OFTGUIFSOSPIPN-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCO[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000058953010 368526064 /nfs/dbraw/zinc/52/60/64/368526064.db2.gz ZVSHXPWTTQAWPH-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]1C ZINC000642568157 368508454 /nfs/dbraw/zinc/50/84/54/368508454.db2.gz LMWIAPUWNBGVKM-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO CCOCC[N@H+](CC)Cc1nncn1C ZINC000107677818 368511466 /nfs/dbraw/zinc/51/14/66/368511466.db2.gz CLUHTSWDHFAPNP-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nncn1C ZINC000107677818 368511471 /nfs/dbraw/zinc/51/14/71/368511471.db2.gz CLUHTSWDHFAPNP-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CN(Cc1nnc[nH]1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000080530239 368514916 /nfs/dbraw/zinc/51/49/16/368514916.db2.gz RWRSGRXYQKRACE-LLVKDONJSA-N 1 2 245.286 0.463 20 0 BCADLO O=C(C[C@H]1C=CCC1)NCC[NH+]1CCOCC1 ZINC000061476146 368562856 /nfs/dbraw/zinc/56/28/56/368562856.db2.gz WJAUIWSGGXGJKS-LBPRGKRZSA-N 1 2 238.331 0.791 20 0 BCADLO CC(C)CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000062465663 368576095 /nfs/dbraw/zinc/57/60/95/368576095.db2.gz NGSDPKJYAQVQGG-UHFFFAOYSA-N 1 2 243.351 0.616 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000066864362 368664119 /nfs/dbraw/zinc/66/41/19/368664119.db2.gz YBWOVIUNQTUJHL-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000066864362 368664121 /nfs/dbraw/zinc/66/41/21/368664121.db2.gz YBWOVIUNQTUJHL-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO CC1(C)COCC[N@@H+]1CC(=O)NC1CC1 ZINC000064247753 368601981 /nfs/dbraw/zinc/60/19/81/368601981.db2.gz KFNGLKUVJUIXFW-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CC1(C)COCC[N@H+]1CC(=O)NC1CC1 ZINC000064247753 368601986 /nfs/dbraw/zinc/60/19/86/368601986.db2.gz KFNGLKUVJUIXFW-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000066448871 368648762 /nfs/dbraw/zinc/64/87/62/368648762.db2.gz NWPUNGWOBKYZNV-SECBINFHSA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000066448871 368648765 /nfs/dbraw/zinc/64/87/65/368648765.db2.gz NWPUNGWOBKYZNV-SECBINFHSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@H](CC(=O)N1CCC12COC2)n1cc[nH+]c1 ZINC000615915935 368655242 /nfs/dbraw/zinc/65/52/42/368655242.db2.gz FGUYNTMKBFWLIP-SNVBAGLBSA-N 1 2 235.287 0.836 20 0 BCADLO CC[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000068085860 368712936 /nfs/dbraw/zinc/71/29/36/368712936.db2.gz OWIBBWJBLDADRM-JTQLQIEISA-N 1 2 241.335 0.052 20 0 BCADLO CC[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000068085860 368712941 /nfs/dbraw/zinc/71/29/41/368712941.db2.gz OWIBBWJBLDADRM-JTQLQIEISA-N 1 2 241.335 0.052 20 0 BCADLO CNC(=O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068308064 368722133 /nfs/dbraw/zinc/72/21/33/368722133.db2.gz ANEFTGKBWXVULI-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO CC[C@H](O)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000622448616 370925944 /nfs/dbraw/zinc/92/59/44/370925944.db2.gz NERJEFQBXWRMBH-NSHDSACASA-N 1 2 239.319 0.893 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000068757618 368735162 /nfs/dbraw/zinc/73/51/62/368735162.db2.gz YBGJXUGJXXDWGJ-SNVBAGLBSA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000068757618 368735168 /nfs/dbraw/zinc/73/51/68/368735168.db2.gz YBGJXUGJXXDWGJ-SNVBAGLBSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H](O)C2CC2)c2[nH+]ccn21 ZINC000615965304 368805590 /nfs/dbraw/zinc/80/55/90/368805590.db2.gz YKAXKGWZOALJTC-FKTZTGRPSA-N 1 2 235.287 0.776 20 0 BCADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](O)C1 ZINC000074324822 368837840 /nfs/dbraw/zinc/83/78/40/368837840.db2.gz XFINJBWCXYDUFH-GHMZBOCLSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](O)C1 ZINC000074324822 368837844 /nfs/dbraw/zinc/83/78/44/368837844.db2.gz XFINJBWCXYDUFH-GHMZBOCLSA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073137828 368795194 /nfs/dbraw/zinc/79/51/94/368795194.db2.gz QOASPAUGIPEMDT-LBPRGKRZSA-N 1 2 249.314 0.556 20 0 BCADLO NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073137828 368795197 /nfs/dbraw/zinc/79/51/97/368795197.db2.gz QOASPAUGIPEMDT-LBPRGKRZSA-N 1 2 249.314 0.556 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(N)cn2)CC1 ZINC000084012591 368845892 /nfs/dbraw/zinc/84/58/92/368845892.db2.gz VDOPYDGNQYBGBK-UHFFFAOYSA-N 1 2 220.276 0.051 20 0 BCADLO Cn1c[nH+]cc1C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000085182650 368862990 /nfs/dbraw/zinc/86/29/90/368862990.db2.gz PFVNYPFCSBGMKC-UHFFFAOYSA-N 1 2 211.265 0.715 20 0 BCADLO Cn1c[nH+]cc1C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000085182650 368862993 /nfs/dbraw/zinc/86/29/93/368862993.db2.gz PFVNYPFCSBGMKC-UHFFFAOYSA-N 1 2 211.265 0.715 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000618924747 368847942 /nfs/dbraw/zinc/84/79/42/368847942.db2.gz HOHWRKFNJHWXOT-GXSJLCMTSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000618924747 368847945 /nfs/dbraw/zinc/84/79/45/368847945.db2.gz HOHWRKFNJHWXOT-GXSJLCMTSA-N 1 2 237.303 0.714 20 0 BCADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000399983823 368939782 /nfs/dbraw/zinc/93/97/82/368939782.db2.gz LXCVFTBUQXCQQE-GHMZBOCLSA-N 1 2 222.288 0.781 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@H]2CCNC2=O)c[nH+]1 ZINC000616114675 368960462 /nfs/dbraw/zinc/96/04/62/368960462.db2.gz BRJUYMKXQMYJKF-NSHDSACASA-N 1 2 247.298 0.451 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCO[C@H]1CC1(F)F ZINC000618130262 369069062 /nfs/dbraw/zinc/06/90/62/369069062.db2.gz JROBWOHGWGHVHC-QMMMGPOBSA-N 1 2 245.229 0.424 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C(=O)c2cccn2C)C1 ZINC000457736824 203096789 /nfs/dbraw/zinc/09/67/89/203096789.db2.gz OKGPTMPPSOIWLA-UHFFFAOYSA-N 1 2 249.314 0.417 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000618922244 369242000 /nfs/dbraw/zinc/24/20/00/369242000.db2.gz MVZLROACGLYXDG-VHSXEESVSA-N 1 2 223.276 0.255 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](CO)CC2CC2)c[nH+]1 ZINC000619045137 369266262 /nfs/dbraw/zinc/26/62/62/369266262.db2.gz YZTSWGDAPFEDHD-SNVBAGLBSA-N 1 2 237.303 0.857 20 0 BCADLO CNC(=O)CC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014163 369257318 /nfs/dbraw/zinc/25/73/18/369257318.db2.gz FKQMBRIJASTOFI-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619076729 369276493 /nfs/dbraw/zinc/27/64/93/369276493.db2.gz YVSVCRPLGLFTJL-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459292070 203247085 /nfs/dbraw/zinc/24/70/85/203247085.db2.gz ABMORLARAOHXDF-SECBINFHSA-N 1 2 242.710 0.486 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459292070 203247086 /nfs/dbraw/zinc/24/70/86/203247086.db2.gz ABMORLARAOHXDF-SECBINFHSA-N 1 2 242.710 0.486 20 0 BCADLO COCC[N@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459300510 203250150 /nfs/dbraw/zinc/25/01/50/203250150.db2.gz KHXCWZRNZXULTJ-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459300510 203250153 /nfs/dbraw/zinc/25/01/53/203250153.db2.gz KHXCWZRNZXULTJ-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]21 ZINC000156714247 326240549 /nfs/dbraw/zinc/24/05/49/326240549.db2.gz YXNXLMJHBFWFHX-UWVGGRQHSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]21 ZINC000156714247 326240551 /nfs/dbraw/zinc/24/05/51/326240551.db2.gz YXNXLMJHBFWFHX-UWVGGRQHSA-N 1 2 241.335 0.509 20 0 BCADLO CCn1nncc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000459334064 203260992 /nfs/dbraw/zinc/26/09/92/203260992.db2.gz CYBDBAGLIVIVIT-UWVGGRQHSA-N 1 2 224.308 0.907 20 0 BCADLO OC[C@@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000459344462 203264163 /nfs/dbraw/zinc/26/41/63/203264163.db2.gz NONURRHPBIGCTN-ZDUSSCGKSA-N 1 2 243.347 0.886 20 0 BCADLO OC[C@@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000459344462 203264167 /nfs/dbraw/zinc/26/41/67/203264167.db2.gz NONURRHPBIGCTN-ZDUSSCGKSA-N 1 2 243.347 0.886 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(OC)C2)c[nH]1 ZINC000459583949 203306519 /nfs/dbraw/zinc/30/65/19/203306519.db2.gz PYPYYCRRPKNWRH-UHFFFAOYSA-N 1 2 224.260 0.632 20 0 BCADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCO ZINC000201187992 369382630 /nfs/dbraw/zinc/38/26/30/369382630.db2.gz SSXPZBSTURJBDE-NSHDSACASA-N 1 2 223.272 0.353 20 0 BCADLO COCCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC000459584101 203307176 /nfs/dbraw/zinc/30/71/76/203307176.db2.gz BBFSVXDGMQQEPN-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO COCCCOC1C[NH+](Cc2c[nH]nc2C)C1 ZINC000459599315 203312168 /nfs/dbraw/zinc/31/21/68/203312168.db2.gz YAWFEGPEHBYLNH-UHFFFAOYSA-N 1 2 239.319 0.955 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000459561857 203300264 /nfs/dbraw/zinc/30/02/64/203300264.db2.gz NMISWUDTHSBONI-VGMNWLOBSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000459561857 203300268 /nfs/dbraw/zinc/30/02/68/203300268.db2.gz NMISWUDTHSBONI-VGMNWLOBSA-N 1 2 219.256 0.343 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC1CC1 ZINC000623675623 369366462 /nfs/dbraw/zinc/36/64/62/369366462.db2.gz JDOWAYODUJBOLT-LLVKDONJSA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCC1CC1 ZINC000623675623 369366466 /nfs/dbraw/zinc/36/64/66/369366466.db2.gz JDOWAYODUJBOLT-LLVKDONJSA-N 1 2 241.335 0.416 20 0 BCADLO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)C(=O)OC ZINC000404178776 369421379 /nfs/dbraw/zinc/42/13/79/369421379.db2.gz AJLHKOJPKCZZBW-MWLCHTKSSA-N 1 2 231.292 0.069 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC(C)(C)OC ZINC000404326604 369426795 /nfs/dbraw/zinc/42/67/95/369426795.db2.gz UEBWQXHUWLXQIA-UHFFFAOYSA-N 1 2 240.307 0.929 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC(C)(C)OC ZINC000404326604 369426797 /nfs/dbraw/zinc/42/67/97/369426797.db2.gz UEBWQXHUWLXQIA-UHFFFAOYSA-N 1 2 240.307 0.929 20 0 BCADLO COCC1(O)C[NH+](C/C=C\c2ccncc2)C1 ZINC000459643674 203328303 /nfs/dbraw/zinc/32/83/03/203328303.db2.gz VDLXQTPIWGMWLY-IHWYPQMZSA-N 1 2 234.299 0.788 20 0 BCADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000459727543 203341704 /nfs/dbraw/zinc/34/17/04/203341704.db2.gz YTKPBLHIDIXXMS-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO CCOC[C@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000459727543 203341708 /nfs/dbraw/zinc/34/17/08/203341708.db2.gz YTKPBLHIDIXXMS-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861974 369474586 /nfs/dbraw/zinc/47/45/86/369474586.db2.gz KGSUWZQXJCPKAQ-UWVGGRQHSA-N 1 2 213.325 0.276 20 0 BCADLO Cn1c[nH+]c2c1CCN(CCN1CCCC1=O)C2 ZINC000069652132 370968209 /nfs/dbraw/zinc/96/82/09/370968209.db2.gz FNLLSYHPTLYHKH-UHFFFAOYSA-N 1 2 248.330 0.401 20 0 BCADLO CCCN(CC)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000459916227 203378133 /nfs/dbraw/zinc/37/81/33/203378133.db2.gz IIRIXDUVKSTQOF-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000166081259 203387939 /nfs/dbraw/zinc/38/79/39/203387939.db2.gz LPFRBEJZHPMVDX-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000166081259 203387942 /nfs/dbraw/zinc/38/79/42/203387942.db2.gz LPFRBEJZHPMVDX-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO OC1(CC[N@H+]2CCn3nncc3C2)CC1 ZINC000567912469 326282320 /nfs/dbraw/zinc/28/23/20/326282320.db2.gz KISNROXTFNJTDW-UHFFFAOYSA-N 1 2 208.265 0.009 20 0 BCADLO COCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568011564 326295854 /nfs/dbraw/zinc/29/58/54/326295854.db2.gz UXOPYEIBMUVURE-SECBINFHSA-N 1 2 211.265 0.597 20 0 BCADLO C[C@@H](O)C1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000620067619 369702194 /nfs/dbraw/zinc/70/21/94/369702194.db2.gz MUODVIVGWZJFNS-SECBINFHSA-N 1 2 223.276 0.303 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(COC2)C1 ZINC000620289181 369807688 /nfs/dbraw/zinc/80/76/88/369807688.db2.gz JKCPOEIKGCOWRB-UHFFFAOYSA-N 1 2 235.287 0.510 20 0 BCADLO C[C@@H](CC(N)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000620316913 369830558 /nfs/dbraw/zinc/83/05/58/369830558.db2.gz KXJQIIKDZJMTDZ-QMMMGPOBSA-N 1 2 246.270 0.784 20 0 BCADLO Cc1ncc(C(=O)N[C@H](C)c2[nH+]ccn2C)[nH]1 ZINC000620601354 369950472 /nfs/dbraw/zinc/95/04/72/369950472.db2.gz WOVKQWZNLXNENI-SSDOTTSWSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@H](NC(=O)CC(C)(C)O)c1[nH+]ccn1C ZINC000620605339 369952563 /nfs/dbraw/zinc/95/25/63/369952563.db2.gz AVYLYJMVQBNFNH-QMMMGPOBSA-N 1 2 225.292 0.758 20 0 BCADLO C[C@H](NC(=O)C1(O)CCCC1)c1[nH+]ccn1C ZINC000620604491 369953216 /nfs/dbraw/zinc/95/32/16/369953216.db2.gz UNBVROPEGLIXHN-VIFPVBQESA-N 1 2 237.303 0.902 20 0 BCADLO CC(=O)C1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620608256 369956986 /nfs/dbraw/zinc/95/69/86/369956986.db2.gz NFVTVGXMNWJABL-MRVPVSSYSA-N 1 2 235.287 0.967 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620612039 369958160 /nfs/dbraw/zinc/95/81/60/369958160.db2.gz PUEJPSGDIFTKAC-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000620558460 369922332 /nfs/dbraw/zinc/92/23/32/369922332.db2.gz WJEVLOJEBUOLKD-SCZZXKLOSA-N 1 2 209.249 0.625 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000620592577 369945579 /nfs/dbraw/zinc/94/55/79/369945579.db2.gz OKGXAKAAHQBWFT-BDAKNGLRSA-N 1 2 223.276 0.776 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1nccn1C ZINC000620594315 369946291 /nfs/dbraw/zinc/94/62/91/369946291.db2.gz BXZPLMYSQYNTJN-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO Cc1c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cnn1C ZINC000620595654 369947700 /nfs/dbraw/zinc/94/77/00/369947700.db2.gz IVWZHYRWFDQJEJ-QMMMGPOBSA-N 1 2 247.302 0.953 20 0 BCADLO C[C@H](NC(=O)Cn1cccn1)c1[nH+]ccn1C ZINC000620595634 369947784 /nfs/dbraw/zinc/94/77/84/369947784.db2.gz IIAMSMOCRWHBDS-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)n(C)n1 ZINC000620596606 369947907 /nfs/dbraw/zinc/94/79/07/369947907.db2.gz PLFBAHZRJYRMSV-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](O)CC(F)(F)F)no1 ZINC000307949501 370069196 /nfs/dbraw/zinc/06/91/96/370069196.db2.gz QNSDIGBNBRNTJP-ZCFIWIBFSA-N 1 2 239.197 0.781 20 0 BCADLO CC(C)COC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000111691810 370172519 /nfs/dbraw/zinc/17/25/19/370172519.db2.gz OJMFQURFCRXWRD-LLVKDONJSA-N 1 2 249.376 0.084 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215834 370161224 /nfs/dbraw/zinc/16/12/24/370161224.db2.gz VGVPYYGUCVDMNI-SQLBVSGCSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215834 370161229 /nfs/dbraw/zinc/16/12/29/370161229.db2.gz VGVPYYGUCVDMNI-SQLBVSGCSA-N 1 2 224.304 0.328 20 0 BCADLO CNS(=O)(=O)CC[NH+]1Cc2ccccc2C1 ZINC000621256880 370189742 /nfs/dbraw/zinc/18/97/42/370189742.db2.gz ZMCJGAGYQKCPBF-UHFFFAOYSA-N 1 2 240.328 0.551 20 0 BCADLO CCc1cc(NC[C@](C)(O)COC)nc[nH+]1 ZINC000309896005 370273443 /nfs/dbraw/zinc/27/34/43/370273443.db2.gz FVHMIMTUQGLNFQ-NSHDSACASA-N 1 2 225.292 0.848 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1CO ZINC000621366756 370302748 /nfs/dbraw/zinc/30/27/48/370302748.db2.gz QMLCVJHROYQSMT-NXEZZACHSA-N 1 2 224.308 0.265 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1CO ZINC000621366756 370302752 /nfs/dbraw/zinc/30/27/52/370302752.db2.gz QMLCVJHROYQSMT-NXEZZACHSA-N 1 2 224.308 0.265 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)C[C@@H]1CO ZINC000621373615 370313407 /nfs/dbraw/zinc/31/34/07/370313407.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@@H]1CO ZINC000621373615 370313409 /nfs/dbraw/zinc/31/34/09/370313409.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)C[C@@H]1CO ZINC000621373615 370313411 /nfs/dbraw/zinc/31/34/11/370313411.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@@H]1CO ZINC000621373615 370313414 /nfs/dbraw/zinc/31/34/14/370313414.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1CO ZINC000621373615 370313418 /nfs/dbraw/zinc/31/34/18/370313418.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@@H]1CO ZINC000621373615 370313419 /nfs/dbraw/zinc/31/34/19/370313419.db2.gz MBEQSTHBQSHJEH-RKDXNWHRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@](O)(CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000310181659 370315889 /nfs/dbraw/zinc/31/58/89/370315889.db2.gz WNFHIOFZFKIOFQ-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000621425390 370350649 /nfs/dbraw/zinc/35/06/49/370350649.db2.gz ZEQHNGRLVMKMKH-IAZYJMLFSA-N 1 2 247.298 0.502 20 0 BCADLO COC(=O)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000077165478 370397241 /nfs/dbraw/zinc/39/72/41/370397241.db2.gz NBNRQJAMGMHFDP-UHFFFAOYSA-N 1 2 247.258 0.637 20 0 BCADLO OC[C@H]1CCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000077213258 370401120 /nfs/dbraw/zinc/40/11/20/370401120.db2.gz BJGNMIFLFDCIIG-SNVBAGLBSA-N 1 2 245.286 0.623 20 0 BCADLO COC[C@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621716809 370465630 /nfs/dbraw/zinc/46/56/30/370465630.db2.gz MPBUPWMXWKYJCJ-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621716809 370465635 /nfs/dbraw/zinc/46/56/35/370465635.db2.gz MPBUPWMXWKYJCJ-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621716810 370465914 /nfs/dbraw/zinc/46/59/14/370465914.db2.gz MPBUPWMXWKYJCJ-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621716810 370465916 /nfs/dbraw/zinc/46/59/16/370465916.db2.gz MPBUPWMXWKYJCJ-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1nccnc1C ZINC000621718317 370467741 /nfs/dbraw/zinc/46/77/41/370467741.db2.gz DEOBJIZDFLURTH-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1nccnc1C ZINC000621718317 370467746 /nfs/dbraw/zinc/46/77/46/370467746.db2.gz DEOBJIZDFLURTH-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000621719636 370469048 /nfs/dbraw/zinc/46/90/48/370469048.db2.gz RZPYKCWORCCVJI-MWLCHTKSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000621719636 370469052 /nfs/dbraw/zinc/46/90/52/370469052.db2.gz RZPYKCWORCCVJI-MWLCHTKSSA-N 1 2 237.303 0.367 20 0 BCADLO CCN1CCC[N@H+](Cc2nccnc2C)CC1=O ZINC000621724414 370474684 /nfs/dbraw/zinc/47/46/84/370474684.db2.gz IEZHUIDFDSNULN-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCN1CCC[N@@H+](Cc2nccnc2C)CC1=O ZINC000621724414 370474690 /nfs/dbraw/zinc/47/46/90/370474690.db2.gz IEZHUIDFDSNULN-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1nccnc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000621727518 370480317 /nfs/dbraw/zinc/48/03/17/370480317.db2.gz GTUHYGXFLSUMEZ-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000621727518 370480324 /nfs/dbraw/zinc/48/03/24/370480324.db2.gz GTUHYGXFLSUMEZ-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000621727517 370480669 /nfs/dbraw/zinc/48/06/69/370480669.db2.gz GTUHYGXFLSUMEZ-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000621727517 370480672 /nfs/dbraw/zinc/48/06/72/370480672.db2.gz GTUHYGXFLSUMEZ-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO CCCN(CCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000078296236 370548359 /nfs/dbraw/zinc/54/83/59/370548359.db2.gz WRTBGYUJGOLYHY-UHFFFAOYSA-N 1 2 247.302 0.871 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000312980251 370557600 /nfs/dbraw/zinc/55/76/00/370557600.db2.gz OOPLSCZTNDCRPV-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000312980251 370557602 /nfs/dbraw/zinc/55/76/02/370557602.db2.gz OOPLSCZTNDCRPV-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568396747 326354255 /nfs/dbraw/zinc/35/42/55/326354255.db2.gz VBCFILHMYSDWAJ-BDAKNGLRSA-N 1 2 238.291 0.085 20 0 BCADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000621915294 370597214 /nfs/dbraw/zinc/59/72/14/370597214.db2.gz YALUXIGMWMNOLL-SECBINFHSA-N 1 2 237.303 0.935 20 0 BCADLO CCc1cc(NCc2nnnn2C2CC2)nc[nH+]1 ZINC000078557547 370574492 /nfs/dbraw/zinc/57/44/92/370574492.db2.gz ORSJPVYGVPKTPD-UHFFFAOYSA-N 1 2 245.290 0.973 20 0 BCADLO Cc1nc(=NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n(C)[nH]1 ZINC000621952874 370617980 /nfs/dbraw/zinc/61/79/80/370617980.db2.gz UREUKJSLJVYZEB-SNVBAGLBSA-N 1 2 249.318 0.111 20 0 BCADLO Cc1nc(=NC(=O)[C@H]2CCC[N@H+]2C2CC2)n(C)[nH]1 ZINC000621952874 370617985 /nfs/dbraw/zinc/61/79/85/370617985.db2.gz UREUKJSLJVYZEB-SNVBAGLBSA-N 1 2 249.318 0.111 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](O)C1CCC1 ZINC000622668270 371047172 /nfs/dbraw/zinc/04/71/72/371047172.db2.gz KAMDDSHSIIADMI-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO Cc1[nH]c(C(=O)NCCC(C)(C)CO)c[nH+]1 ZINC000622635092 371027978 /nfs/dbraw/zinc/02/79/78/371027978.db2.gz SPLYFUQYKYZCPA-UHFFFAOYSA-N 1 2 225.292 0.857 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)C1CC1 ZINC000568777756 326377089 /nfs/dbraw/zinc/37/70/89/326377089.db2.gz GVTQGMONKQSUQL-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)C1CC1 ZINC000568777756 326377090 /nfs/dbraw/zinc/37/70/90/326377090.db2.gz GVTQGMONKQSUQL-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO COCC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685891 371063710 /nfs/dbraw/zinc/06/37/10/371063710.db2.gz OXCULCMZYMXPJS-UHFFFAOYSA-N 1 2 239.319 0.751 20 0 BCADLO Cc1cnc(CNCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000623838511 371120907 /nfs/dbraw/zinc/12/09/07/371120907.db2.gz ZJIFDNMZMMJYHX-JTQLQIEISA-N 1 2 241.360 0.608 20 0 BCADLO Cc1cnc(CNCC[N@H+]2CC[C@H](O)C2)s1 ZINC000623838511 371120909 /nfs/dbraw/zinc/12/09/09/371120909.db2.gz ZJIFDNMZMMJYHX-JTQLQIEISA-N 1 2 241.360 0.608 20 0 BCADLO C[C@@H]([NH2+]Cc1ncn(C)n1)[C@H]1CCCCO1 ZINC000623927586 371159495 /nfs/dbraw/zinc/15/94/95/371159495.db2.gz NHZITYULJJFVRK-NXEZZACHSA-N 1 2 224.308 0.862 20 0 BCADLO CCOC(=O)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279162882 371262208 /nfs/dbraw/zinc/26/22/08/371262208.db2.gz IJSZLGDFECIHDF-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)[nH]cn1 ZINC000624156233 371350924 /nfs/dbraw/zinc/35/09/24/371350924.db2.gz VPJZHLBPABEWHS-QMMMGPOBSA-N 1 2 247.258 0.197 20 0 BCADLO Cc1nnc(C[NH2+]C[C@@H](O)C(F)(F)F)s1 ZINC000392072094 371357378 /nfs/dbraw/zinc/35/73/78/371357378.db2.gz YZHVMVWLEHFNIF-RXMQYKEDSA-N 1 2 241.238 0.859 20 0 BCADLO C[C@@H](NC(=O)c1csnn1)c1[nH]cc[nH+]1 ZINC000125366532 371334089 /nfs/dbraw/zinc/33/40/89/371334089.db2.gz QIXCDWPCLDZYCZ-RXMQYKEDSA-N 1 2 223.261 0.752 20 0 BCADLO C[C@@H](c1cn[nH]c1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624251973 371437153 /nfs/dbraw/zinc/43/71/53/371437153.db2.gz YHLPERUHNYBOLC-WCBMZHEXSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@@H](c1cn[nH]c1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624251973 371437156 /nfs/dbraw/zinc/43/71/56/371437156.db2.gz YHLPERUHNYBOLC-WCBMZHEXSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252126 371437440 /nfs/dbraw/zinc/43/74/40/371437440.db2.gz AGDMAELOSCAIAF-ZYHUDNBSSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252126 371437446 /nfs/dbraw/zinc/43/74/46/371437446.db2.gz AGDMAELOSCAIAF-ZYHUDNBSSA-N 1 2 249.314 0.719 20 0 BCADLO Nc1ccnc(C[NH+]2CCSCC2)n1 ZINC000268698758 181763626 /nfs/dbraw/zinc/76/36/26/181763626.db2.gz ULBPVUQDHKKKSJ-UHFFFAOYSA-N 1 2 210.306 0.608 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](C(N)=O)C1 ZINC000624540438 371537042 /nfs/dbraw/zinc/53/70/42/371537042.db2.gz CWCSORODTKQFIO-LJGSYFOKSA-N 1 2 246.274 0.039 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)CO1 ZINC000627370839 371587576 /nfs/dbraw/zinc/58/75/76/371587576.db2.gz OAUJAUXIUJPTNM-DTWKUNHWSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)CO1 ZINC000627370839 371587580 /nfs/dbraw/zinc/58/75/80/371587580.db2.gz OAUJAUXIUJPTNM-DTWKUNHWSA-N 1 2 235.287 0.719 20 0 BCADLO O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCc2[nH]c[nH+]c2C1 ZINC000627370428 371588424 /nfs/dbraw/zinc/58/84/24/371588424.db2.gz ZCXXBTAWJMPVCE-AXTRIDKLSA-N 1 2 247.298 0.719 20 0 BCADLO O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCc2[nH+]c[nH]c2C1 ZINC000627370428 371588427 /nfs/dbraw/zinc/58/84/27/371588427.db2.gz ZCXXBTAWJMPVCE-AXTRIDKLSA-N 1 2 247.298 0.719 20 0 BCADLO COCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627370386 371588790 /nfs/dbraw/zinc/58/87/90/371588790.db2.gz XTAJAMCFWHQKFD-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO COCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627370386 371588796 /nfs/dbraw/zinc/58/87/96/371588796.db2.gz XTAJAMCFWHQKFD-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO Cc1ccnc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000627371408 371590339 /nfs/dbraw/zinc/59/03/39/371590339.db2.gz DKUSYHZBZNUJAX-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1ccnc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000627371408 371590343 /nfs/dbraw/zinc/59/03/43/371590343.db2.gz DKUSYHZBZNUJAX-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)o2)C[C@@H]1OC ZINC000351645848 371650249 /nfs/dbraw/zinc/65/02/49/371650249.db2.gz FMOQOXUAQWMPNZ-DTORHVGOSA-N 1 2 227.264 0.224 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)o2)C[C@@H]1OC ZINC000351645848 371650260 /nfs/dbraw/zinc/65/02/60/371650260.db2.gz FMOQOXUAQWMPNZ-DTORHVGOSA-N 1 2 227.264 0.224 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080415 371780727 /nfs/dbraw/zinc/78/07/27/371780727.db2.gz WADZRKWIFISBTL-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080415 371780731 /nfs/dbraw/zinc/78/07/31/371780731.db2.gz WADZRKWIFISBTL-NXEZZACHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080409 371781687 /nfs/dbraw/zinc/78/16/87/371781687.db2.gz WADZRKWIFISBTL-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000227080409 371781691 /nfs/dbraw/zinc/78/16/91/371781691.db2.gz WADZRKWIFISBTL-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1ncnn1C(C)C ZINC000631083311 371822002 /nfs/dbraw/zinc/82/20/02/371822002.db2.gz MMKVUGGPBWCLRT-LLVKDONJSA-N 1 2 242.323 0.346 20 0 BCADLO Cn1cc(C[NH2+][C@](C)(CO)c2ccccc2)nn1 ZINC000229305855 372141740 /nfs/dbraw/zinc/14/17/40/372141740.db2.gz YBFGPJDOEJRDDD-CYBMUJFWSA-N 1 2 246.314 0.812 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](CCO)C1 ZINC000229350868 372145233 /nfs/dbraw/zinc/14/52/33/372145233.db2.gz UIOPFBHEOMXNDL-VIFPVBQESA-N 1 2 247.302 0.572 20 0 BCADLO O=C(c1ccon1)N1CC[NH+](CCCF)CC1 ZINC000627956673 372154640 /nfs/dbraw/zinc/15/46/40/372154640.db2.gz RCAWOFNLWRUDCB-UHFFFAOYSA-N 1 2 241.266 0.792 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCNC1=O ZINC000631140058 372206568 /nfs/dbraw/zinc/20/65/68/372206568.db2.gz KKOSJDVFPMBMTD-SECBINFHSA-N 1 2 233.271 0.277 20 0 BCADLO Cc1cc(N[C@@H]2C(=O)NCC2(C)C)nc[nH+]1 ZINC000631369998 372319273 /nfs/dbraw/zinc/31/92/73/372319273.db2.gz VPMWBWGSJCCXQU-SECBINFHSA-N 1 2 220.276 0.722 20 0 BCADLO CCn1ncc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000631414113 372347083 /nfs/dbraw/zinc/34/70/83/372347083.db2.gz OVNBTRLAEDBKQT-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1ncc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000631414113 372347088 /nfs/dbraw/zinc/34/70/88/372347088.db2.gz OVNBTRLAEDBKQT-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](CO)C1 ZINC000631426356 372356339 /nfs/dbraw/zinc/35/63/39/372356339.db2.gz ORZHUIQHZGWRJG-OCAPTIKFSA-N 1 2 233.275 0.546 20 0 BCADLO CC(C)C1(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000631635725 372474341 /nfs/dbraw/zinc/47/43/41/372474341.db2.gz RGCAFXSMRILNAS-UHFFFAOYSA-N 1 2 246.376 0.752 20 0 BCADLO C[C@@H]1CCCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000631559870 372423730 /nfs/dbraw/zinc/42/37/30/372423730.db2.gz LIDRTDWAUFCOHU-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCCc3ncccc32)n1 ZINC000631626291 372468161 /nfs/dbraw/zinc/46/81/61/372468161.db2.gz NLYQOXWYGKKKOG-LLVKDONJSA-N 1 2 244.302 0.772 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418771 372574941 /nfs/dbraw/zinc/57/49/41/372574941.db2.gz XWIVGUPWTOOXOL-GHMZBOCLSA-N 1 2 226.320 0.433 20 0 BCADLO COCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171416937 372575018 /nfs/dbraw/zinc/57/50/18/372575018.db2.gz BKTZLYCUCHEXPC-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000373676253 181951982 /nfs/dbraw/zinc/95/19/82/181951982.db2.gz NSFVJRHAFCELIH-IJLUTSLNSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1nncs1 ZINC000279229894 181943174 /nfs/dbraw/zinc/94/31/74/181943174.db2.gz QANGGBPOHDVHBW-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO CN(CC1CC1)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142393 372779054 /nfs/dbraw/zinc/77/90/54/372779054.db2.gz BCAKARYJZKVWMI-UHFFFAOYSA-N 1 2 244.320 0.086 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000171994614 372853074 /nfs/dbraw/zinc/85/30/74/372853074.db2.gz ANSQYIKUPLJJCI-ZETCQYMHSA-N 1 2 206.236 0.710 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171994614 372853079 /nfs/dbraw/zinc/85/30/79/372853079.db2.gz ANSQYIKUPLJJCI-ZETCQYMHSA-N 1 2 206.236 0.710 20 0 BCADLO O=C(C[C@@H]1CCOC1)Nc1cc[nH+]cc1O ZINC000330794026 182020639 /nfs/dbraw/zinc/02/06/39/182020639.db2.gz VVJPZWRJFWEGLB-QMMMGPOBSA-N 1 2 222.244 0.574 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CC ZINC000632405640 372922758 /nfs/dbraw/zinc/92/27/58/372922758.db2.gz XDDWJGFDHLEHTO-QMMMGPOBSA-N 1 2 231.321 0.903 20 0 BCADLO CCOC1CC[NH+](Cc2ncnn2C)CC1 ZINC000172722626 373057108 /nfs/dbraw/zinc/05/71/08/373057108.db2.gz YCAGJVNAMNDOKP-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H](O)C1 ZINC000061705399 182059210 /nfs/dbraw/zinc/05/92/10/182059210.db2.gz DXZYXKACVMQXNA-LLVKDONJSA-N 1 2 245.282 0.470 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000041391543 182070853 /nfs/dbraw/zinc/07/08/53/182070853.db2.gz MHLUKYVJFSZUIK-SECBINFHSA-N 1 2 209.249 0.178 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1CCOCC1 ZINC000102767890 182071111 /nfs/dbraw/zinc/07/11/11/182071111.db2.gz UAAGQCKJXUQXFN-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO O=C(Cn1cccn1)N1CCn2c[nH+]cc2C1 ZINC000378100645 182068212 /nfs/dbraw/zinc/06/82/12/182068212.db2.gz ZQNLNTFRDSIFDL-UHFFFAOYSA-N 1 2 231.259 0.122 20 0 BCADLO CCOCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632888946 373211185 /nfs/dbraw/zinc/21/11/85/373211185.db2.gz SZCCILRVFYOPGL-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cncc(O)c1 ZINC000339940507 182085027 /nfs/dbraw/zinc/08/50/27/182085027.db2.gz UWIWSJBNZHFMSB-UHFFFAOYSA-N 1 2 231.211 0.562 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cncnc1 ZINC000355117828 182085046 /nfs/dbraw/zinc/08/50/46/182085046.db2.gz AEXKBLHIZDROAU-UHFFFAOYSA-N 1 2 216.200 0.251 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@@]12CCOC2 ZINC000329755751 182085526 /nfs/dbraw/zinc/08/55/26/182085526.db2.gz YFSGKNIJVMJLCA-PRHODGIISA-N 1 2 234.255 0.574 20 0 BCADLO CC(C)OCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633164252 373317727 /nfs/dbraw/zinc/31/77/27/373317727.db2.gz OYUUFKAOSSQPHU-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO C[C@@H](NC(=O)C1CSC1)c1[nH]cc[nH+]1 ZINC000633171756 373321432 /nfs/dbraw/zinc/32/14/32/373321432.db2.gz URGJFFDCBBZCAZ-ZCFIWIBFSA-N 1 2 211.290 0.950 20 0 BCADLO CC(=O)CN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000633221225 373363613 /nfs/dbraw/zinc/36/36/13/373363613.db2.gz SATWETUAOXDMJO-UHFFFAOYSA-N 1 2 223.276 0.709 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1C(F)F ZINC000633237397 373389741 /nfs/dbraw/zinc/38/97/41/373389741.db2.gz WEDPRLSAKBPXMI-MRVPVSSYSA-N 1 2 229.230 0.829 20 0 BCADLO Cc1nocc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000633278462 373440246 /nfs/dbraw/zinc/44/02/46/373440246.db2.gz JELKYQBDPHIUMO-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc[nH]c1 ZINC000278081910 182131160 /nfs/dbraw/zinc/13/11/60/182131160.db2.gz XVHWUDLBPRXUEA-UHFFFAOYSA-N 1 2 249.314 0.609 20 0 BCADLO Cn1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c[nH]c1=O ZINC000633323642 373478243 /nfs/dbraw/zinc/47/82/43/373478243.db2.gz PUGNVKRFAMZAMV-UHFFFAOYSA-N 1 2 249.274 0.514 20 0 BCADLO Cc1nocc1CNC(=O)CCn1cc[nH+]c1 ZINC000633275357 373435008 /nfs/dbraw/zinc/43/50/08/373435008.db2.gz NDOSYJSEEIGJNV-UHFFFAOYSA-N 1 2 234.259 0.886 20 0 BCADLO CC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000183462762 205682088 /nfs/dbraw/zinc/68/20/88/205682088.db2.gz TUTVYCHQEYCWQD-NXEZZACHSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633602382 373620469 /nfs/dbraw/zinc/62/04/69/373620469.db2.gz OPKLFUOYXWYQAU-SNVBAGLBSA-N 1 2 238.291 0.283 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633602382 373620474 /nfs/dbraw/zinc/62/04/74/373620474.db2.gz OPKLFUOYXWYQAU-SNVBAGLBSA-N 1 2 238.291 0.283 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000633684605 373684845 /nfs/dbraw/zinc/68/48/45/373684845.db2.gz HZXMDJIVYAVAOZ-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000633684605 373684851 /nfs/dbraw/zinc/68/48/51/373684851.db2.gz HZXMDJIVYAVAOZ-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCn1nc(C)cc1C(=O)NCCn1cc[nH+]c1 ZINC000040807824 373758365 /nfs/dbraw/zinc/75/83/65/373758365.db2.gz JXFDWBVIGJMZHT-UHFFFAOYSA-N 1 2 247.302 0.838 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cnc[nH]1 ZINC000169932212 182178466 /nfs/dbraw/zinc/17/84/66/182178466.db2.gz NGTZWSJOGSNZNE-UHFFFAOYSA-N 1 2 219.248 0.426 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1csnn1 ZINC000082269581 182179185 /nfs/dbraw/zinc/17/91/85/182179185.db2.gz JMFQDYUTPLFNLA-UHFFFAOYSA-N 1 2 237.288 0.555 20 0 BCADLO O=C(NCCF)NCCCn1cc[nH+]c1 ZINC000280509373 182180665 /nfs/dbraw/zinc/18/06/65/182180665.db2.gz DMWMKRKUYKANHU-UHFFFAOYSA-N 1 2 214.244 0.542 20 0 BCADLO O=C(NCC[NH+]1CCCCC1)c1nc[nH]n1 ZINC000087443451 182184693 /nfs/dbraw/zinc/18/46/93/182184693.db2.gz QWNAWTVSEDETDS-UHFFFAOYSA-N 1 2 223.280 0.020 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CC(F)C1 ZINC000342241683 182176561 /nfs/dbraw/zinc/17/65/61/182176561.db2.gz VSLOYZFYQUTUEJ-UHFFFAOYSA-N 1 2 226.255 0.637 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CCCO1 ZINC000284227608 182176744 /nfs/dbraw/zinc/17/67/44/182176744.db2.gz FUJNDJAMTRNENN-UHFFFAOYSA-N 1 2 224.264 0.620 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]1C(F)F ZINC000338093466 182186386 /nfs/dbraw/zinc/18/63/86/182186386.db2.gz VEDRSJAFSYXTPG-RKDXNWHRSA-N 1 2 248.273 0.336 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1=COCCC1 ZINC000068510472 182187448 /nfs/dbraw/zinc/18/74/48/182187448.db2.gz CAGIIGOOEBDNOV-UHFFFAOYSA-N 1 2 240.303 0.129 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1ccnnc1 ZINC000339657384 182189383 /nfs/dbraw/zinc/18/93/83/182189383.db2.gz KUYNWRUDWCDIGN-UHFFFAOYSA-N 1 2 243.270 0.714 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC1(C(F)F)CC1 ZINC000337663941 182215607 /nfs/dbraw/zinc/21/56/07/182215607.db2.gz UYUNNRZJEGAJFT-UHFFFAOYSA-N 1 2 244.245 0.980 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000355297245 182215661 /nfs/dbraw/zinc/21/56/61/182215661.db2.gz GPUSUNPNTSZNAT-GMTAPVOTSA-N 1 2 235.287 0.424 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000368088813 182215733 /nfs/dbraw/zinc/21/57/33/182215733.db2.gz GCLLBLLAYJXFCL-SDDRHHMPSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1(O)CCCC1 ZINC000331019125 182211761 /nfs/dbraw/zinc/21/17/61/182211761.db2.gz WKKKFBRGCYMHTH-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cn[nH]c1 ZINC000128720779 182212655 /nfs/dbraw/zinc/21/26/55/182212655.db2.gz UYPOIJWELBFACW-UHFFFAOYSA-N 1 2 205.221 0.105 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1COC1)CC2 ZINC000634261824 374079766 /nfs/dbraw/zinc/07/97/66/374079766.db2.gz XOBGXGSMMBEOQK-SECBINFHSA-N 1 2 235.287 0.269 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000634222021 374042195 /nfs/dbraw/zinc/04/21/95/374042195.db2.gz HWIBSVCNSYQAGP-AOOOYVTPSA-N 1 2 235.287 0.650 20 0 BCADLO Cc1cccn2cc(CC(=O)NC3COC3)[nH+]c12 ZINC000634254608 374055992 /nfs/dbraw/zinc/05/59/92/374055992.db2.gz DFHDQMCNPRBCBE-UHFFFAOYSA-N 1 2 245.282 0.700 20 0 BCADLO O=C(NC1COC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000634257385 374065311 /nfs/dbraw/zinc/06/53/11/374065311.db2.gz ZJFDPEGRJUDCAO-UHFFFAOYSA-N 1 2 244.254 0.396 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1SCCS1 ZINC000270462034 182273199 /nfs/dbraw/zinc/27/31/99/182273199.db2.gz FTAHLRPTMYSFAP-UHFFFAOYSA-N 1 2 229.330 0.832 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H](O)Cc1ccccc1 ZINC000355999973 182274199 /nfs/dbraw/zinc/27/41/99/182274199.db2.gz MMCQFRAIUGLACH-LLVKDONJSA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1nnc[nH]1 ZINC000269478987 182269152 /nfs/dbraw/zinc/26/91/52/182269152.db2.gz VDBAFBZICGHNLP-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000331158806 206035468 /nfs/dbraw/zinc/03/54/68/206035468.db2.gz CDTITBQBWYFLSR-GFCCVEGCSA-N 1 2 239.319 0.796 20 0 BCADLO COc1ccnc(C[NH2+]Cc2cn(C)nc2C)n1 ZINC000424193864 206036076 /nfs/dbraw/zinc/03/60/76/206036076.db2.gz VLLDLWLBILQLLR-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO CCn1c[nH+]cc1CNCc1nccc(OC)n1 ZINC000424192762 206033968 /nfs/dbraw/zinc/03/39/68/206033968.db2.gz SQJJYYGPYUUWIM-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439286108 206075593 /nfs/dbraw/zinc/07/55/93/206075593.db2.gz LYAWPTGAOQJIIO-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439286108 206075595 /nfs/dbraw/zinc/07/55/95/206075595.db2.gz LYAWPTGAOQJIIO-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000440506544 206078440 /nfs/dbraw/zinc/07/84/40/206078440.db2.gz QNLNPOQZSHSANU-RKDXNWHRSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000440506544 206078445 /nfs/dbraw/zinc/07/84/45/206078445.db2.gz QNLNPOQZSHSANU-RKDXNWHRSA-N 1 2 202.273 0.897 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCCOC ZINC000194425099 206090868 /nfs/dbraw/zinc/09/08/68/206090868.db2.gz FNPZAYJPNDYHAK-UHFFFAOYSA-N 1 2 221.264 0.905 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccnnc1 ZINC000378303511 182313207 /nfs/dbraw/zinc/31/32/07/182313207.db2.gz ACBXBWSHTWIJRA-SECBINFHSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccnnc1 ZINC000378303511 182313209 /nfs/dbraw/zinc/31/32/09/182313209.db2.gz ACBXBWSHTWIJRA-SECBINFHSA-N 1 2 243.270 0.487 20 0 BCADLO COC[C@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451588242 206109529 /nfs/dbraw/zinc/10/95/29/206109529.db2.gz JAVUARHORATHIL-MNOVXSKESA-N 1 2 247.335 0.560 20 0 BCADLO COCCOC1C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000459463401 206128150 /nfs/dbraw/zinc/12/81/50/206128150.db2.gz LWLKJPDSEGZNKA-UHFFFAOYSA-N 1 2 239.319 0.874 20 0 BCADLO CC[NH+]1C[C@H](C)N(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000459467362 206128746 /nfs/dbraw/zinc/12/87/46/206128746.db2.gz RTBZIQVXGUTOCA-IUCAKERBSA-N 1 2 239.323 0.425 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000194763742 206110435 /nfs/dbraw/zinc/11/04/35/206110435.db2.gz ZCTZQIOLBHPNLJ-UWVGGRQHSA-N 1 2 215.293 0.690 20 0 BCADLO COC1C[NH+](Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000459581448 206135284 /nfs/dbraw/zinc/13/52/84/206135284.db2.gz LVVMQOZVAJGKGE-UHFFFAOYSA-N 1 2 248.282 0.962 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CC[NH2+]C1 ZINC000113203108 182362562 /nfs/dbraw/zinc/36/25/62/182362562.db2.gz YWJFVNPDVJWMJJ-SSDOTTSWSA-N 1 2 231.259 0.506 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCC[NH2+]1 ZINC000152543223 182362987 /nfs/dbraw/zinc/36/29/87/182362987.db2.gz ODUVTYDCOWKZIQ-SECBINFHSA-N 1 2 231.259 0.648 20 0 BCADLO O=C(Nc1ccccc1F)[C@H]1COCC[NH2+]1 ZINC000083872072 182379009 /nfs/dbraw/zinc/37/90/09/182379009.db2.gz ZBYBDYFAEQFMIN-SNVBAGLBSA-N 1 2 224.235 0.753 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000178148712 134306927 /nfs/dbraw/zinc/30/69/27/134306927.db2.gz DWYPBNMDPXUDEZ-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO O=C(Nc1ccccc1O)[C@H]1CSC[NH2+]1 ZINC000070203941 182381002 /nfs/dbraw/zinc/38/10/02/182381002.db2.gz IJOJXUIEGPXIBJ-MRVPVSSYSA-N 1 2 224.285 0.993 20 0 BCADLO O=C(Nc1cccnc1)[C@@H]1CSC[NH2+]1 ZINC000019484062 182383864 /nfs/dbraw/zinc/38/38/64/182383864.db2.gz RQIFPEXKFVMVRG-QMMMGPOBSA-N 1 2 209.274 0.683 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H](O)C1 ZINC000281147240 182385472 /nfs/dbraw/zinc/38/54/72/182385472.db2.gz ZOBKAKUIGZFTFU-JTQLQIEISA-N 1 2 246.270 0.933 20 0 BCADLO CON(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178466976 134307119 /nfs/dbraw/zinc/30/71/19/134307119.db2.gz BMWVLKCFCXKFSL-QMMMGPOBSA-N 1 2 209.249 0.465 20 0 BCADLO O=c1nc(C[N@H+](Cc2cccnc2)C2CC2)[nH][nH]1 ZINC000271740722 183010615 /nfs/dbraw/zinc/01/06/15/183010615.db2.gz WHMGBZDGCPOIPQ-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO O=c1nc(C[N@@H+](Cc2cccnc2)C2CC2)[nH][nH]1 ZINC000271740722 183010621 /nfs/dbraw/zinc/01/06/21/183010621.db2.gz WHMGBZDGCPOIPQ-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO OC1(C[NH+]2CC(OCC(F)F)C2)CCC1 ZINC000336648153 183016624 /nfs/dbraw/zinc/01/66/24/183016624.db2.gz NOFVCVNQIFRTSR-UHFFFAOYSA-N 1 2 221.247 0.867 20 0 BCADLO OCC1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000095078750 183041609 /nfs/dbraw/zinc/04/16/09/183041609.db2.gz NZPFEXHTXHMUBR-UHFFFAOYSA-N 1 2 213.668 0.554 20 0 BCADLO OCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000364589314 183049510 /nfs/dbraw/zinc/04/95/10/183049510.db2.gz CXWGVWZXBLOIKQ-QMMMGPOBSA-N 1 2 209.236 0.461 20 0 BCADLO OCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000364589314 183049514 /nfs/dbraw/zinc/04/95/14/183049514.db2.gz CXWGVWZXBLOIKQ-QMMMGPOBSA-N 1 2 209.236 0.461 20 0 BCADLO OCC[C@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000330363470 183099190 /nfs/dbraw/zinc/09/91/90/183099190.db2.gz GRHUZWAGJHKFKZ-JTQLQIEISA-N 1 2 211.265 0.041 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H](CO)C2CCCC2)[nH]1 ZINC000336670485 183109254 /nfs/dbraw/zinc/10/92/54/183109254.db2.gz HJYHYOLLTRJLDT-MRVPVSSYSA-N 1 2 226.280 0.151 20 0 BCADLO OC[C@@H]1C[C@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000274614190 183129119 /nfs/dbraw/zinc/12/91/19/183129119.db2.gz IPDXHUMZHNIXAS-UWVGGRQHSA-N 1 2 235.287 0.286 20 0 BCADLO OC[C@@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000355541359 183130367 /nfs/dbraw/zinc/13/03/67/183130367.db2.gz IPDXHUMZHNIXAS-VHSXEESVSA-N 1 2 235.287 0.286 20 0 BCADLO O=C1N=NC(C[N@H+]2CCCC[C@H](CO)C2)S1 ZINC000375361221 183146812 /nfs/dbraw/zinc/14/68/12/183146812.db2.gz LCLKAISFLHJQLM-QMMMGPOBSA-N 1 2 243.332 0.838 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCCC[C@H](CO)C2)S1 ZINC000375361221 183146814 /nfs/dbraw/zinc/14/68/14/183146814.db2.gz LCLKAISFLHJQLM-QMMMGPOBSA-N 1 2 243.332 0.838 20 0 BCADLO OC[C@H]1CC(F)(F)CN1Cc1c[nH+]c[nH]1 ZINC000372644634 183146994 /nfs/dbraw/zinc/14/69/94/183146994.db2.gz XYOPVVXTHVNUCN-MRVPVSSYSA-N 1 2 217.219 0.612 20 0 BCADLO OC[C@H]1CC(F)(F)CN1Cc1c[nH]c[nH+]1 ZINC000372644634 183146995 /nfs/dbraw/zinc/14/69/95/183146995.db2.gz XYOPVVXTHVNUCN-MRVPVSSYSA-N 1 2 217.219 0.612 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000088094137 183155453 /nfs/dbraw/zinc/15/54/53/183155453.db2.gz FQYGIIPOFZFGRK-SNVBAGLBSA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000088094137 183155455 /nfs/dbraw/zinc/15/54/55/183155455.db2.gz FQYGIIPOFZFGRK-SNVBAGLBSA-N 1 2 213.302 0.941 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000086841570 183155592 /nfs/dbraw/zinc/15/55/92/183155592.db2.gz FYEBYOZIBCIHCQ-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000086841570 183155593 /nfs/dbraw/zinc/15/55/93/183155593.db2.gz FYEBYOZIBCIHCQ-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000338628502 183158005 /nfs/dbraw/zinc/15/80/05/183158005.db2.gz ZWUAJEFDFMJVSH-QMMMGPOBSA-N 1 2 245.216 0.972 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000338628502 183158006 /nfs/dbraw/zinc/15/80/06/183158006.db2.gz ZWUAJEFDFMJVSH-QMMMGPOBSA-N 1 2 245.216 0.972 20 0 BCADLO OC[C@]1(F)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000286743822 183158031 /nfs/dbraw/zinc/15/80/31/183158031.db2.gz DUAKYXNIRQPILC-JTQLQIEISA-N 1 2 213.256 0.706 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000051887844 169041359 /nfs/dbraw/zinc/04/13/59/169041359.db2.gz WUKOEEQUBDAFPY-JTQLQIEISA-N 1 2 239.323 0.287 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@H](CO)C1 ZINC000051887844 169041362 /nfs/dbraw/zinc/04/13/62/169041362.db2.gz WUKOEEQUBDAFPY-JTQLQIEISA-N 1 2 239.323 0.287 20 0 BCADLO O[C@@H](C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)C(F)(F)F ZINC000338386581 183177317 /nfs/dbraw/zinc/17/73/17/183177317.db2.gz ZZABBKQGTFQUCZ-RNJXMRFFSA-N 1 2 241.209 0.009 20 0 BCADLO O[C@@H](C[N@H+]1C[C@@H]2COC[C@H](C1)O2)C(F)(F)F ZINC000338386581 183177318 /nfs/dbraw/zinc/17/73/18/183177318.db2.gz ZZABBKQGTFQUCZ-RNJXMRFFSA-N 1 2 241.209 0.009 20 0 BCADLO CCCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356357158 169053459 /nfs/dbraw/zinc/05/34/59/169053459.db2.gz MPFIEAQJOMNUQN-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356357158 169053460 /nfs/dbraw/zinc/05/34/60/169053460.db2.gz MPFIEAQJOMNUQN-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338076752 169057369 /nfs/dbraw/zinc/05/73/69/169057369.db2.gz IWPQKZXQNROTCS-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000363446932 183200057 /nfs/dbraw/zinc/20/00/57/183200057.db2.gz QSQANSCMGKYCIR-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000363446932 183200059 /nfs/dbraw/zinc/20/00/59/183200059.db2.gz QSQANSCMGKYCIR-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO CCC[N@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000050065792 169101894 /nfs/dbraw/zinc/10/18/94/169101894.db2.gz GUDLGGVEJABFEZ-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCC[N@@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000050065792 169101896 /nfs/dbraw/zinc/10/18/96/169101896.db2.gz GUDLGGVEJABFEZ-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnn(CC)c1 ZINC000092381541 169095000 /nfs/dbraw/zinc/09/50/00/169095000.db2.gz HFFMXAQSYYKJLB-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnn(CC)c1 ZINC000092381541 169095001 /nfs/dbraw/zinc/09/50/01/169095001.db2.gz HFFMXAQSYYKJLB-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000093612257 183214774 /nfs/dbraw/zinc/21/47/74/183214774.db2.gz YDDFGWXMAXWCQL-QMMMGPOBSA-N 1 2 235.209 0.909 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000093612257 183214775 /nfs/dbraw/zinc/21/47/75/183214775.db2.gz YDDFGWXMAXWCQL-QMMMGPOBSA-N 1 2 235.209 0.909 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1conc1CC ZINC000353598685 169109868 /nfs/dbraw/zinc/10/98/68/169109868.db2.gz WGKHBJZOTKIGFL-UHFFFAOYSA-N 1 2 225.292 0.934 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1conc1CC ZINC000353598685 169109871 /nfs/dbraw/zinc/10/98/71/169109871.db2.gz WGKHBJZOTKIGFL-UHFFFAOYSA-N 1 2 225.292 0.934 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000147501169 183243295 /nfs/dbraw/zinc/24/32/95/183243295.db2.gz RETPHOQNUACJMH-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000147501169 183243299 /nfs/dbraw/zinc/24/32/99/183243299.db2.gz RETPHOQNUACJMH-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1O ZINC000086331508 183244135 /nfs/dbraw/zinc/24/41/35/183244135.db2.gz MZSGBTHUZNLGAT-AOOOYVTPSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1O ZINC000086331508 183244136 /nfs/dbraw/zinc/24/41/36/183244136.db2.gz MZSGBTHUZNLGAT-AOOOYVTPSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000277329906 183245471 /nfs/dbraw/zinc/24/54/71/183245471.db2.gz DSYHEMNDIGBXFU-RYUDHWBXSA-N 1 2 231.255 0.172 20 0 BCADLO Oc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278410751 183259349 /nfs/dbraw/zinc/25/93/49/183259349.db2.gz PZRZEJMOJOFKQC-PHIMTYICSA-N 1 2 227.235 0.069 20 0 BCADLO Oc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278410751 183259351 /nfs/dbraw/zinc/25/93/51/183259351.db2.gz PZRZEJMOJOFKQC-PHIMTYICSA-N 1 2 227.235 0.069 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](O)C23CCCC3)[nH]1 ZINC000333464156 183307165 /nfs/dbraw/zinc/30/71/65/183307165.db2.gz QCVLXAHALJUGHI-MRVPVSSYSA-N 1 2 238.291 0.390 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](O)C23CCCC3)[nH]1 ZINC000333464156 183307167 /nfs/dbraw/zinc/30/71/67/183307167.db2.gz QCVLXAHALJUGHI-MRVPVSSYSA-N 1 2 238.291 0.390 20 0 BCADLO CCC[N@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000361625254 169167196 /nfs/dbraw/zinc/16/71/96/169167196.db2.gz DINZGFYKJKXWLR-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000361625254 169167198 /nfs/dbraw/zinc/16/71/98/169167198.db2.gz DINZGFYKJKXWLR-UHFFFAOYSA-N 1 2 241.339 0.632 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC000374881915 183328648 /nfs/dbraw/zinc/32/86/48/183328648.db2.gz WWOKTVRVBLDPMQ-SNVBAGLBSA-N 1 2 232.291 0.838 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCn2cncn2)n1 ZINC000374881915 183328650 /nfs/dbraw/zinc/32/86/50/183328650.db2.gz WWOKTVRVBLDPMQ-SNVBAGLBSA-N 1 2 232.291 0.838 20 0 BCADLO c1cc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)n[nH]1 ZINC000333238775 183330879 /nfs/dbraw/zinc/33/08/79/183330879.db2.gz VXYPLSDEXHOZAV-VIFPVBQESA-N 1 2 246.274 0.132 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000329983665 183310254 /nfs/dbraw/zinc/31/02/54/183310254.db2.gz BLEGUEBFXIHUFW-DTWKUNHWSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000329983665 183310256 /nfs/dbraw/zinc/31/02/56/183310256.db2.gz BLEGUEBFXIHUFW-DTWKUNHWSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000330024390 183310360 /nfs/dbraw/zinc/31/03/60/183310360.db2.gz JTBPRAXERZLXGS-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000330024390 183310363 /nfs/dbraw/zinc/31/03/63/183310363.db2.gz JTBPRAXERZLXGS-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@H+](C[C@@H]3CCCOC3)CCN12 ZINC000330024390 183310365 /nfs/dbraw/zinc/31/03/65/183310365.db2.gz JTBPRAXERZLXGS-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@@H+](C[C@@H]3CCCOC3)CCN12 ZINC000330024390 183310368 /nfs/dbraw/zinc/31/03/68/183310368.db2.gz JTBPRAXERZLXGS-VIFPVBQESA-N 1 2 238.291 0.226 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cscn1 ZINC000040421241 169226931 /nfs/dbraw/zinc/22/69/31/169226931.db2.gz BKJMZIQDSPVQBJ-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183136052 169207529 /nfs/dbraw/zinc/20/75/29/169207529.db2.gz CRVDUXOURUNKLV-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO CCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183136052 169207530 /nfs/dbraw/zinc/20/75/30/169207530.db2.gz CRVDUXOURUNKLV-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO c1cc(CNCC[N@@H+]2CCCOCC2)n[nH]1 ZINC000289422098 183350759 /nfs/dbraw/zinc/35/07/59/183350759.db2.gz JIVMECMWDKFUSV-UHFFFAOYSA-N 1 2 224.308 0.222 20 0 BCADLO c1cc(CNCC[N@H+]2CCCOCC2)n[nH]1 ZINC000289422098 183350762 /nfs/dbraw/zinc/35/07/62/183350762.db2.gz JIVMECMWDKFUSV-UHFFFAOYSA-N 1 2 224.308 0.222 20 0 BCADLO c1cc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)n[nH]1 ZINC000106379586 183352330 /nfs/dbraw/zinc/35/23/30/183352330.db2.gz OZRNRTCPAMCLNK-LBPRGKRZSA-N 1 2 236.319 0.363 20 0 BCADLO c1cc(CNC[C@H]2C[N@H+](C3CC3)CCO2)n[nH]1 ZINC000106379586 183352332 /nfs/dbraw/zinc/35/23/32/183352332.db2.gz OZRNRTCPAMCLNK-LBPRGKRZSA-N 1 2 236.319 0.363 20 0 BCADLO CCCNC(=O)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000359126657 169214545 /nfs/dbraw/zinc/21/45/45/169214545.db2.gz WRDJLKLBYYZQMA-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCCNC(=O)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000359126657 169214546 /nfs/dbraw/zinc/21/45/46/169214546.db2.gz WRDJLKLBYYZQMA-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356126612 169236374 /nfs/dbraw/zinc/23/63/74/169236374.db2.gz BOXGROZWSSHCKN-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356126612 169236375 /nfs/dbraw/zinc/23/63/75/169236375.db2.gz BOXGROZWSSHCKN-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105066440 169238133 /nfs/dbraw/zinc/23/81/33/169238133.db2.gz QHLFNLMUWDIVQS-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668906 169244691 /nfs/dbraw/zinc/24/46/91/169244691.db2.gz VUIKYRVLGWADMK-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668906 169244693 /nfs/dbraw/zinc/24/46/93/169244693.db2.gz VUIKYRVLGWADMK-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO CCCOCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290934438 169304202 /nfs/dbraw/zinc/30/42/02/169304202.db2.gz NDXYODMYJICIKD-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO CCC[C@@H](C(=O)Nc1n[nH]c(C)n1)[NH+](C)C ZINC000163621085 169346517 /nfs/dbraw/zinc/34/65/17/169346517.db2.gz BOCSIJADLJTIAB-QMMMGPOBSA-N 1 2 225.296 0.782 20 0 BCADLO CCC[C@@H](C(=O)Nc1nnc(C)[nH]1)[NH+](C)C ZINC000163621085 169346518 /nfs/dbraw/zinc/34/65/18/169346518.db2.gz BOCSIJADLJTIAB-QMMMGPOBSA-N 1 2 225.296 0.782 20 0 BCADLO CCC[C@@H](C(=O)Nc1nc(C)n[nH]1)[NH+](C)C ZINC000163621085 169346519 /nfs/dbraw/zinc/34/65/19/169346519.db2.gz BOCSIJADLJTIAB-QMMMGPOBSA-N 1 2 225.296 0.782 20 0 BCADLO CCC[C@@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000378445124 169358859 /nfs/dbraw/zinc/35/88/59/169358859.db2.gz RRTLZWSIEYGHNT-SNVBAGLBSA-N 1 2 238.335 0.834 20 0 BCADLO CCC[C@@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000378445124 169358860 /nfs/dbraw/zinc/35/88/60/169358860.db2.gz RRTLZWSIEYGHNT-SNVBAGLBSA-N 1 2 238.335 0.834 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180423144 134327191 /nfs/dbraw/zinc/32/71/91/134327191.db2.gz GIFOTBQWQBAUGV-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180423144 134327192 /nfs/dbraw/zinc/32/71/92/134327192.db2.gz GIFOTBQWQBAUGV-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000182446027 134342027 /nfs/dbraw/zinc/34/20/27/134342027.db2.gz DMDPWDAVZRMGAF-CMPLNLGQSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000182446027 134342028 /nfs/dbraw/zinc/34/20/28/134342028.db2.gz DMDPWDAVZRMGAF-CMPLNLGQSA-N 1 2 241.287 0.660 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C(=O)c1ccccc1 ZINC000194290017 259618121 /nfs/dbraw/zinc/61/81/21/259618121.db2.gz MGIUEDGXWHZFBJ-UHFFFAOYSA-N 1 2 243.266 0.951 20 0 BCADLO CCCn1ncnc1CN1CCn2cc[nH+]c2C1 ZINC000331873250 169626670 /nfs/dbraw/zinc/62/66/70/169626670.db2.gz KROHJTPPZKJCME-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000339705230 169647626 /nfs/dbraw/zinc/64/76/26/169647626.db2.gz HMUVSCWCBSUOGR-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+](CCCO)Cc1nnc2n1CCCC2 ZINC000226202294 134361551 /nfs/dbraw/zinc/36/15/51/134361551.db2.gz YXXGOSZOAYMFSF-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO CC[N@@H+](CCCO)Cc1nnc2n1CCCC2 ZINC000226202294 134361552 /nfs/dbraw/zinc/36/15/52/134361552.db2.gz YXXGOSZOAYMFSF-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO COCC[NH+]1CCN(C(=O)OCCCF)CC1 ZINC000496962126 532955465 /nfs/dbraw/zinc/95/54/65/532955465.db2.gz LITLSAGZLAEUGT-UHFFFAOYSA-N 1 2 248.298 0.747 20 0 BCADLO CCC[C@@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000292314339 383827060 /nfs/dbraw/zinc/82/70/60/383827060.db2.gz LYTHRYBMYJOQBA-SNVBAGLBSA-N 1 2 240.307 0.380 20 0 BCADLO CCOC(=O)CC[N@H+](C)CC(=O)OC ZINC000048299375 383846802 /nfs/dbraw/zinc/84/68/02/383846802.db2.gz QMKNVVQLDRLEQH-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO CCOC(=O)CC[N@@H+](C)CC(=O)OC ZINC000048299375 383846808 /nfs/dbraw/zinc/84/68/08/383846808.db2.gz QMKNVVQLDRLEQH-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO COC(=O)[C@H]1CCCCN1Cc1[nH+]ccn1C ZINC000111364577 383859419 /nfs/dbraw/zinc/85/94/19/383859419.db2.gz WNPPEJYTGYJSQK-SNVBAGLBSA-N 1 2 237.303 0.948 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1ccncc1 ZINC000066529147 383868856 /nfs/dbraw/zinc/86/88/56/383868856.db2.gz KUXVXZFXZCVLFZ-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1ccncc1 ZINC000066529147 383868865 /nfs/dbraw/zinc/86/88/65/383868865.db2.gz KUXVXZFXZCVLFZ-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000088058000 383876461 /nfs/dbraw/zinc/87/64/61/383876461.db2.gz AOGDUVWJVHQFPP-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000088058000 383876468 /nfs/dbraw/zinc/87/64/68/383876468.db2.gz AOGDUVWJVHQFPP-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000050104524 383912834 /nfs/dbraw/zinc/91/28/34/383912834.db2.gz QPTMZHYODFIMKB-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@H](CO)C2)no1 ZINC000050104524 383912841 /nfs/dbraw/zinc/91/28/41/383912841.db2.gz QPTMZHYODFIMKB-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CN(C)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088358057 383896872 /nfs/dbraw/zinc/89/68/72/383896872.db2.gz PHPPTKZYKMNBHL-LBPRGKRZSA-N 1 2 249.314 0.680 20 0 BCADLO CCOCC[N@H+](C)[C@H]1CON(CC)C1=O ZINC000643611165 383904571 /nfs/dbraw/zinc/90/45/71/383904571.db2.gz SVMUBNGQMRNQNJ-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CCOCC[N@@H+](C)[C@H]1CON(CC)C1=O ZINC000643611165 383904576 /nfs/dbraw/zinc/90/45/76/383904576.db2.gz SVMUBNGQMRNQNJ-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000569391618 383984331 /nfs/dbraw/zinc/98/43/31/383984331.db2.gz VEMLZBVTWNPXOV-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000569391618 383984332 /nfs/dbraw/zinc/98/43/32/383984332.db2.gz VEMLZBVTWNPXOV-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCCC1 ZINC000336458485 383940121 /nfs/dbraw/zinc/94/01/21/383940121.db2.gz DKRUJXGILPVVAM-TXEJJXNPSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCCC1 ZINC000336458485 383940126 /nfs/dbraw/zinc/94/01/26/383940126.db2.gz DKRUJXGILPVVAM-TXEJJXNPSA-N 1 2 238.331 0.862 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc2n1CCCC2 ZINC000227575640 134385711 /nfs/dbraw/zinc/38/57/11/134385711.db2.gz PJBOBEXDJGJOFY-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000227575640 134385713 /nfs/dbraw/zinc/38/57/13/134385713.db2.gz PJBOBEXDJGJOFY-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000363410157 383956216 /nfs/dbraw/zinc/95/62/16/383956216.db2.gz CGWBANIFEHABPY-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000363410157 383956224 /nfs/dbraw/zinc/95/62/24/383956224.db2.gz CGWBANIFEHABPY-NXEZZACHSA-N 1 2 237.307 0.354 20 0 BCADLO Cc1ccncc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000070959235 383971547 /nfs/dbraw/zinc/97/15/47/383971547.db2.gz VNZOQDQAPXVCPM-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368113231 383975294 /nfs/dbraw/zinc/97/52/94/383975294.db2.gz IHKDZBLNJBAWPY-XHNCKOQMSA-N 1 2 248.273 0.667 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000113349263 383977090 /nfs/dbraw/zinc/97/70/90/383977090.db2.gz AFZWKWHDYNAIDP-MRVPVSSYSA-N 1 2 231.321 0.323 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CO ZINC000518562088 384018830 /nfs/dbraw/zinc/01/88/30/384018830.db2.gz YTXTYELRILRSBA-MRVPVSSYSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CO ZINC000518562088 384018833 /nfs/dbraw/zinc/01/88/33/384018833.db2.gz YTXTYELRILRSBA-MRVPVSSYSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523093792 259642778 /nfs/dbraw/zinc/64/27/78/259642778.db2.gz UNIVCVPFHBAXJQ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523093792 259642780 /nfs/dbraw/zinc/64/27/80/259642780.db2.gz UNIVCVPFHBAXJQ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCS(=O)(=O)NCC[N@H+](C)Cc1ccco1 ZINC000068784466 384015224 /nfs/dbraw/zinc/01/52/24/384015224.db2.gz AVHUUHCNFORMFN-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+](C)Cc1ccco1 ZINC000068784466 384015234 /nfs/dbraw/zinc/01/52/34/384015234.db2.gz AVHUUHCNFORMFN-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO COC[C@@H]([NH2+]Cc1cocn1)[C@H]1CCCO1 ZINC000278624043 384050827 /nfs/dbraw/zinc/05/08/27/384050827.db2.gz JYHMUYOGSADSLU-GHMZBOCLSA-N 1 2 226.276 0.958 20 0 BCADLO COCCn1cc(NCc2c[nH+]cn2C)cn1 ZINC000090166087 384031956 /nfs/dbraw/zinc/03/19/56/384031956.db2.gz HEASRZKHOHIITJ-UHFFFAOYSA-N 1 2 235.291 0.875 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000292453726 384035817 /nfs/dbraw/zinc/03/58/17/384035817.db2.gz GGPHGTXECBVYSI-RKDXNWHRSA-N 1 2 225.292 0.882 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000292453726 384035821 /nfs/dbraw/zinc/03/58/21/384035821.db2.gz GGPHGTXECBVYSI-RKDXNWHRSA-N 1 2 225.292 0.882 20 0 BCADLO C[C@H]1OCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000292447484 384041371 /nfs/dbraw/zinc/04/13/71/384041371.db2.gz YYDDVXHWVSVGFL-HTRCEHHLSA-N 1 2 248.290 0.535 20 0 BCADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856780 384056275 /nfs/dbraw/zinc/05/62/75/384056275.db2.gz UXTWQWGZKCSUAI-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856780 384056281 /nfs/dbraw/zinc/05/62/81/384056281.db2.gz UXTWQWGZKCSUAI-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccon1)CC2 ZINC000078619691 384076116 /nfs/dbraw/zinc/07/61/16/384076116.db2.gz WZVLWPZVZBLMQP-UHFFFAOYSA-N 1 2 246.270 0.327 20 0 BCADLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccon1)CC2 ZINC000078619691 384076122 /nfs/dbraw/zinc/07/61/22/384076122.db2.gz WZVLWPZVZBLMQP-UHFFFAOYSA-N 1 2 246.270 0.327 20 0 BCADLO CO[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000530468380 384101003 /nfs/dbraw/zinc/10/10/03/384101003.db2.gz MTMBQGOBSMKXSU-GXSJLCMTSA-N 1 2 237.303 0.646 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000050049065 384101508 /nfs/dbraw/zinc/10/15/08/384101508.db2.gz OSWPYIHJCGZTMU-SECBINFHSA-N 1 2 223.276 0.558 20 0 BCADLO CCOC(=O)C[N@H+](C)CCCC(=O)OC ZINC000050065009 384104833 /nfs/dbraw/zinc/10/48/33/384104833.db2.gz XCPMPEQHHIDODI-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCCC(=O)OC ZINC000050065009 384104834 /nfs/dbraw/zinc/10/48/34/384104834.db2.gz XCPMPEQHHIDODI-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCN(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212733 384109054 /nfs/dbraw/zinc/10/90/54/384109054.db2.gz ITZKNUAYBVQFNS-UHFFFAOYSA-N 1 2 246.336 0.059 20 0 BCADLO CN(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070991232 384146120 /nfs/dbraw/zinc/14/61/20/384146120.db2.gz WNPHELMUBVIGGV-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccnc1 ZINC000070980469 384146148 /nfs/dbraw/zinc/14/61/48/384146148.db2.gz VWDPCQPLDOOYGP-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccnc1 ZINC000070980469 384146151 /nfs/dbraw/zinc/14/61/51/384146151.db2.gz VWDPCQPLDOOYGP-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000091864179 384149746 /nfs/dbraw/zinc/14/97/46/384149746.db2.gz YQGPBXXUQODGCF-MRVPVSSYSA-N 1 2 238.316 0.353 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000091864179 384149752 /nfs/dbraw/zinc/14/97/52/384149752.db2.gz YQGPBXXUQODGCF-MRVPVSSYSA-N 1 2 238.316 0.353 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1csnn1 ZINC000293964565 384150621 /nfs/dbraw/zinc/15/06/21/384150621.db2.gz UFPYAZWPKIEUCK-MRVPVSSYSA-N 1 2 201.295 0.741 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1csnn1 ZINC000293964565 384150624 /nfs/dbraw/zinc/15/06/24/384150624.db2.gz UFPYAZWPKIEUCK-MRVPVSSYSA-N 1 2 201.295 0.741 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000091864407 384151781 /nfs/dbraw/zinc/15/17/81/384151781.db2.gz GRYZUJAHNGVIIA-VIFPVBQESA-N 1 2 221.260 0.489 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000091864407 384151786 /nfs/dbraw/zinc/15/17/86/384151786.db2.gz GRYZUJAHNGVIIA-VIFPVBQESA-N 1 2 221.260 0.489 20 0 BCADLO CNc1ccc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000071275202 384157995 /nfs/dbraw/zinc/15/79/95/384157995.db2.gz NXNQGFOUKPLUMN-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO COCc1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000560469875 384155267 /nfs/dbraw/zinc/15/52/67/384155267.db2.gz ZEBKOVMDKQOUMT-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000560469875 384155274 /nfs/dbraw/zinc/15/52/74/384155274.db2.gz ZEBKOVMDKQOUMT-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO CC(C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000074773148 384141948 /nfs/dbraw/zinc/14/19/48/384141948.db2.gz ROWHSSMXDGRYDV-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000074773148 384141953 /nfs/dbraw/zinc/14/19/53/384141953.db2.gz ROWHSSMXDGRYDV-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC000074773175 384142652 /nfs/dbraw/zinc/14/26/52/384142652.db2.gz UDGLFXADODCZOK-SECBINFHSA-N 1 2 224.260 0.340 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC000074773175 384142657 /nfs/dbraw/zinc/14/26/57/384142657.db2.gz UDGLFXADODCZOK-SECBINFHSA-N 1 2 224.260 0.340 20 0 BCADLO CCC[C@](C)(O)CNC(=O)Cc1c[nH+]cn1C ZINC000558551998 384164206 /nfs/dbraw/zinc/16/42/06/384164206.db2.gz ZPVIRMYMVKXJCL-LBPRGKRZSA-N 1 2 239.319 0.630 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000323142897 384182165 /nfs/dbraw/zinc/18/21/65/384182165.db2.gz KCWYTJUOIUXPQY-MRVPVSSYSA-N 1 2 208.265 0.722 20 0 BCADLO C[N@H+](CCOCCO)CC(=O)OC(C)(C)C ZINC000132718295 384202158 /nfs/dbraw/zinc/20/21/58/384202158.db2.gz UUANEDXEBVRAFW-UHFFFAOYSA-N 1 2 233.308 0.269 20 0 BCADLO C[N@@H+](CCOCCO)CC(=O)OC(C)(C)C ZINC000132718295 384202164 /nfs/dbraw/zinc/20/21/64/384202164.db2.gz UUANEDXEBVRAFW-UHFFFAOYSA-N 1 2 233.308 0.269 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000278799889 384203266 /nfs/dbraw/zinc/20/32/66/384203266.db2.gz OORFBSJALVEEIE-VIFPVBQESA-N 1 2 225.292 0.406 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCCCCO ZINC000041471469 384190504 /nfs/dbraw/zinc/19/05/04/384190504.db2.gz ZMRIBGGIQRKOSL-UHFFFAOYSA-N 1 2 235.291 0.938 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735602 384192310 /nfs/dbraw/zinc/19/23/10/384192310.db2.gz ZKJIHGJCNURQIN-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO Cc1ccoc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735602 384192316 /nfs/dbraw/zinc/19/23/16/384192316.db2.gz ZKJIHGJCNURQIN-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647160412 384196457 /nfs/dbraw/zinc/19/64/57/384196457.db2.gz QAIMATYBYLXHGD-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1ccc(O)c(C[N@H+](C)CC(N)=O)n1 ZINC000132596764 384197306 /nfs/dbraw/zinc/19/73/06/384197306.db2.gz UQVYSUMNIMRWTE-UHFFFAOYSA-N 1 2 209.249 0.013 20 0 BCADLO CCC[N@H+](CCOCCO)CC(F)F ZINC000132672613 384199191 /nfs/dbraw/zinc/19/91/91/384199191.db2.gz NJPLIXMUYBAYIB-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO CCC[N@@H+](CCOCCO)CC(F)F ZINC000132672613 384199196 /nfs/dbraw/zinc/19/91/96/384199196.db2.gz NJPLIXMUYBAYIB-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](O)C1 ZINC000304186549 384231733 /nfs/dbraw/zinc/23/17/33/384231733.db2.gz SBTZVZKXCROOJJ-VIFPVBQESA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cccnc1C[N@H+]1CC[C@H](O)C1 ZINC000304186549 384231740 /nfs/dbraw/zinc/23/17/40/384231740.db2.gz SBTZVZKXCROOJJ-VIFPVBQESA-N 1 2 236.271 0.435 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)o1 ZINC000173343205 384212846 /nfs/dbraw/zinc/21/28/46/384212846.db2.gz GJOZHYVDJPEQLX-VIFPVBQESA-N 1 2 225.292 0.973 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118852974 384214938 /nfs/dbraw/zinc/21/49/38/384214938.db2.gz LQNQZGDAOKBQLD-MRVPVSSYSA-N 1 2 234.303 0.435 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118852974 384214944 /nfs/dbraw/zinc/21/49/44/384214944.db2.gz LQNQZGDAOKBQLD-MRVPVSSYSA-N 1 2 234.303 0.435 20 0 BCADLO CC(C)c1cc(C(=O)N2CC([NH+](C)C)C2)n[nH]1 ZINC000158272852 384216607 /nfs/dbraw/zinc/21/66/07/384216607.db2.gz DISGQJCLVCXMEW-UHFFFAOYSA-N 1 2 236.319 0.919 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)C[C@H](CO)O1 ZINC000402891519 384222582 /nfs/dbraw/zinc/22/25/82/384222582.db2.gz FQFCDJFSLNSOBS-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)C[C@H](CO)O1 ZINC000402891519 384222587 /nfs/dbraw/zinc/22/25/87/384222587.db2.gz FQFCDJFSLNSOBS-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCOCCO)n1 ZINC000558629505 384225850 /nfs/dbraw/zinc/22/58/50/384225850.db2.gz JHPUDSFOTQWJTF-MRVPVSSYSA-N 1 2 229.280 0.380 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCOCCO)n1 ZINC000558629505 384225853 /nfs/dbraw/zinc/22/58/53/384225853.db2.gz JHPUDSFOTQWJTF-MRVPVSSYSA-N 1 2 229.280 0.380 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093530739 384248882 /nfs/dbraw/zinc/24/88/82/384248882.db2.gz LCHBXZGGFBFYFR-SECBINFHSA-N 1 2 244.316 0.403 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093530739 384248885 /nfs/dbraw/zinc/24/88/85/384248885.db2.gz LCHBXZGGFBFYFR-SECBINFHSA-N 1 2 244.316 0.403 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000093528921 384248933 /nfs/dbraw/zinc/24/89/33/384248933.db2.gz INEJVCPMZFFULL-GFCCVEGCSA-N 1 2 241.287 0.619 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000093528921 384248938 /nfs/dbraw/zinc/24/89/38/384248938.db2.gz INEJVCPMZFFULL-GFCCVEGCSA-N 1 2 241.287 0.619 20 0 BCADLO CS(=O)(=O)CCN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000093816460 384273753 /nfs/dbraw/zinc/27/37/53/384273753.db2.gz DYAGWSQOSMAXDJ-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CS(=O)(=O)CCN(Cc1c[nH]c[nH+]1)C1CC1 ZINC000093816460 384273759 /nfs/dbraw/zinc/27/37/59/384273759.db2.gz DYAGWSQOSMAXDJ-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccco1 ZINC000074916999 384311263 /nfs/dbraw/zinc/31/12/63/384311263.db2.gz SPZDCCOSNCMGTK-UHFFFAOYSA-N 1 2 238.287 0.684 20 0 BCADLO Cc1nc(NCC2CCOCC2)nc(N)[nH+]1 ZINC000304448870 384312159 /nfs/dbraw/zinc/31/21/59/384312159.db2.gz JQWWBSGZFYSIMV-UHFFFAOYSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NCC2CCOCC2)[nH+]1 ZINC000304448870 384312165 /nfs/dbraw/zinc/31/21/65/384312165.db2.gz JQWWBSGZFYSIMV-UHFFFAOYSA-N 1 2 223.280 0.601 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccncc1 ZINC000074917077 384312541 /nfs/dbraw/zinc/31/25/41/384312541.db2.gz BVETVNXJCZBUPZ-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000352770731 384316290 /nfs/dbraw/zinc/31/62/90/384316290.db2.gz UAAVJKFEUBRLEN-WDEREUQCSA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000352770731 384316299 /nfs/dbraw/zinc/31/62/99/384316299.db2.gz UAAVJKFEUBRLEN-WDEREUQCSA-N 1 2 238.335 0.747 20 0 BCADLO C[C@@H](CCCO)Nc1[nH+]cnc2c1cnn2C ZINC000094944805 384318677 /nfs/dbraw/zinc/31/86/77/384318677.db2.gz WBUOWVXJJOZEMF-QMMMGPOBSA-N 1 2 235.291 0.936 20 0 BCADLO COC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000119634822 384292303 /nfs/dbraw/zinc/29/23/03/384292303.db2.gz VEBXOUHCPLRKRE-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO COC(=O)CN1CCC(n2cc[nH+]c2)CC1 ZINC000119634822 384292306 /nfs/dbraw/zinc/29/23/06/384292306.db2.gz VEBXOUHCPLRKRE-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC(C)(C)O ZINC000114728575 384294229 /nfs/dbraw/zinc/29/42/29/384294229.db2.gz SMUFLPUMUCEZAZ-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC(C)(C)O ZINC000114728575 384294233 /nfs/dbraw/zinc/29/42/33/384294233.db2.gz SMUFLPUMUCEZAZ-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccno1)CC2 ZINC000533472511 384349087 /nfs/dbraw/zinc/34/90/87/384349087.db2.gz NHVKQVVXZLSLHE-UHFFFAOYSA-N 1 2 246.270 0.327 20 0 BCADLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccno1)CC2 ZINC000533472511 384349094 /nfs/dbraw/zinc/34/90/94/384349094.db2.gz NHVKQVVXZLSLHE-UHFFFAOYSA-N 1 2 246.270 0.327 20 0 BCADLO COc1cc(C)[nH+]c(CN(C)CCO)c1 ZINC000168885437 384349327 /nfs/dbraw/zinc/34/93/27/384349327.db2.gz ZPHOMVNQCUSLCK-UHFFFAOYSA-N 1 2 210.277 0.823 20 0 BCADLO Cc1nc(NCCn2cccn2)nc(N)[nH+]1 ZINC000304520540 384352435 /nfs/dbraw/zinc/35/24/35/384352435.db2.gz SDCXQNRMFZQLCV-UHFFFAOYSA-N 1 2 219.252 0.071 20 0 BCADLO Cc1nc(N)nc(NCCn2cccn2)[nH+]1 ZINC000304520540 384352439 /nfs/dbraw/zinc/35/24/39/384352439.db2.gz SDCXQNRMFZQLCV-UHFFFAOYSA-N 1 2 219.252 0.071 20 0 BCADLO COC[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304523964 384353029 /nfs/dbraw/zinc/35/30/29/384353029.db2.gz SMMKOLLGJSHXER-MRVPVSSYSA-N 1 2 223.280 0.235 20 0 BCADLO COC[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304523964 384353031 /nfs/dbraw/zinc/35/30/31/384353031.db2.gz SMMKOLLGJSHXER-MRVPVSSYSA-N 1 2 223.280 0.235 20 0 BCADLO C[C@H]1C(=O)NCCN1c1nc[nH+]c(N)c1Cl ZINC000235366620 384360839 /nfs/dbraw/zinc/36/08/39/384360839.db2.gz KBYMAILBUGKHKG-YFKPBYRVSA-N 1 2 241.682 0.037 20 0 BCADLO Cc1nc(N2C[C@H](CO)OC(C)(C)C2)cc[nH+]1 ZINC000163723442 384324228 /nfs/dbraw/zinc/32/42/28/384324228.db2.gz QBHVJDXDGAPZBW-SNVBAGLBSA-N 1 2 237.303 0.761 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC000179654612 384326480 /nfs/dbraw/zinc/32/64/80/384326480.db2.gz QHSGQJLXQGHYTD-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@H+]1CCn1cccn1 ZINC000179654612 384326486 /nfs/dbraw/zinc/32/64/86/384326486.db2.gz QHSGQJLXQGHYTD-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000358629399 384329460 /nfs/dbraw/zinc/32/94/60/384329460.db2.gz MLHKKQPKTRUPHC-QMMMGPOBSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000358629399 384329467 /nfs/dbraw/zinc/32/94/67/384329467.db2.gz MLHKKQPKTRUPHC-QMMMGPOBSA-N 1 2 213.306 0.803 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000160250632 384396626 /nfs/dbraw/zinc/39/66/26/384396626.db2.gz CHAFOTVCTLEVOH-UWVGGRQHSA-N 1 2 225.292 0.406 20 0 BCADLO COC[C@@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000121158154 384401256 /nfs/dbraw/zinc/40/12/56/384401256.db2.gz UEUKLJGLWANXIK-LLVKDONJSA-N 1 2 241.291 0.088 20 0 BCADLO CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000035207878 384402066 /nfs/dbraw/zinc/40/20/66/384402066.db2.gz AZWXELVNFCSEDX-UHFFFAOYSA-N 1 2 215.278 0.043 20 0 BCADLO C[NH+](C)C1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000135028896 384408293 /nfs/dbraw/zinc/40/82/93/384408293.db2.gz MIBHIBFDTYZUCS-SNVBAGLBSA-N 1 2 248.330 0.602 20 0 BCADLO CC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000035607500 384411651 /nfs/dbraw/zinc/41/16/51/384411651.db2.gz VLUYPRZQUDIVKT-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO Cc1cnccc1CC(=O)NCc1c[nH+]cn1C ZINC000292802856 384378197 /nfs/dbraw/zinc/37/81/97/384378197.db2.gz UURDDGZBLJUGOI-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120817332 384384233 /nfs/dbraw/zinc/38/42/33/384384233.db2.gz NBIHEMAEISCUMC-UHFFFAOYSA-N 1 2 249.314 0.260 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530514876 384384625 /nfs/dbraw/zinc/38/46/25/384384625.db2.gz FZPAWHLDPSXNPP-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530514876 384384633 /nfs/dbraw/zinc/38/46/33/384384633.db2.gz FZPAWHLDPSXNPP-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331619458 384390058 /nfs/dbraw/zinc/39/00/58/384390058.db2.gz JRXVVZCWXYZYFC-VIFPVBQESA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331619458 384390064 /nfs/dbraw/zinc/39/00/64/384390064.db2.gz JRXVVZCWXYZYFC-VIFPVBQESA-N 1 2 210.281 0.460 20 0 BCADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000357865830 384431617 /nfs/dbraw/zinc/43/16/17/384431617.db2.gz FSISKRFCKIRWIY-QMMMGPOBSA-N 1 2 248.290 0.704 20 0 BCADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000357865829 384433351 /nfs/dbraw/zinc/43/33/51/384433351.db2.gz FSISKRFCKIRWIY-MRVPVSSYSA-N 1 2 248.290 0.704 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000235560545 384438789 /nfs/dbraw/zinc/43/87/89/384438789.db2.gz SKCOAJJEARTTHW-UWVGGRQHSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000235560545 384438792 /nfs/dbraw/zinc/43/87/92/384438792.db2.gz SKCOAJJEARTTHW-UWVGGRQHSA-N 1 2 239.323 0.336 20 0 BCADLO Cc1nc(C[NH2+][C@H](C)C(=O)N(C)C)[nH]c1C ZINC000517589306 384462800 /nfs/dbraw/zinc/46/28/00/384462800.db2.gz YOXNMYAWBJWBRP-SECBINFHSA-N 1 2 224.308 0.593 20 0 BCADLO Cc1[nH]c(CN[C@H](C)C(=O)N(C)C)[nH+]c1C ZINC000517589306 384462808 /nfs/dbraw/zinc/46/28/08/384462808.db2.gz YOXNMYAWBJWBRP-SECBINFHSA-N 1 2 224.308 0.593 20 0 BCADLO CO[C@H](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808103 533065182 /nfs/dbraw/zinc/06/51/82/533065182.db2.gz CBPNLIDHKVGITA-ZBJFTSOASA-N 1 2 223.276 0.964 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCOC1 ZINC000556815307 384505434 /nfs/dbraw/zinc/50/54/34/384505434.db2.gz CUPFFYDXCMBTKQ-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCOC1 ZINC000556815307 384505438 /nfs/dbraw/zinc/50/54/38/384505438.db2.gz CUPFFYDXCMBTKQ-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250531 384507102 /nfs/dbraw/zinc/50/71/02/384507102.db2.gz YLBAGANEBUPCCS-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccnn1C ZINC000161696991 384517702 /nfs/dbraw/zinc/51/77/02/384517702.db2.gz OZNUSRSMTSMPQW-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccnn1C ZINC000161696991 384517706 /nfs/dbraw/zinc/51/77/06/384517706.db2.gz OZNUSRSMTSMPQW-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000294071623 384521542 /nfs/dbraw/zinc/52/15/42/384521542.db2.gz KWPGAIWLCRAWOI-UWVGGRQHSA-N 1 2 236.319 0.784 20 0 BCADLO C[C@@H](CCO)CNc1[nH+]cnc2c1cnn2C ZINC000097443435 384522561 /nfs/dbraw/zinc/52/25/61/384522561.db2.gz NLQRNQBQDSFCMJ-QMMMGPOBSA-N 1 2 235.291 0.794 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000249737701 384524222 /nfs/dbraw/zinc/52/42/22/384524222.db2.gz GLKNEZKXANUQJN-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000249737701 384524228 /nfs/dbraw/zinc/52/42/28/384524228.db2.gz GLKNEZKXANUQJN-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000170900532 384531039 /nfs/dbraw/zinc/53/10/39/384531039.db2.gz FQYVHUZWDRPGEW-QMMMGPOBSA-N 1 2 219.235 0.441 20 0 BCADLO C[N@@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000170900532 384531042 /nfs/dbraw/zinc/53/10/42/384531042.db2.gz FQYVHUZWDRPGEW-QMMMGPOBSA-N 1 2 219.235 0.441 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CO1 ZINC000569607530 384531389 /nfs/dbraw/zinc/53/13/89/384531389.db2.gz QSFGNHCPYKRRHN-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CO1 ZINC000569607531 384531778 /nfs/dbraw/zinc/53/17/78/384531778.db2.gz QSFGNHCPYKRRHN-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO O=C1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCN1 ZINC000363879693 384541792 /nfs/dbraw/zinc/54/17/92/384541792.db2.gz OVSRHRNYSYBZJI-NSHDSACASA-N 1 2 232.283 0.422 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCN1 ZINC000363879693 384541796 /nfs/dbraw/zinc/54/17/96/384541796.db2.gz OVSRHRNYSYBZJI-NSHDSACASA-N 1 2 232.283 0.422 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000335093525 384541975 /nfs/dbraw/zinc/54/19/75/384541975.db2.gz CPLSYBKNYZGRLP-WCBMZHEXSA-N 1 2 211.240 0.784 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@H]1F ZINC000335093522 384543177 /nfs/dbraw/zinc/54/31/77/384543177.db2.gz CPLSYBKNYZGRLP-PSASIEDQSA-N 1 2 211.240 0.784 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000172182784 384544316 /nfs/dbraw/zinc/54/43/16/384544316.db2.gz PYASVUZZFLOBPC-ZDUSSCGKSA-N 1 2 249.314 0.419 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000172182784 384544321 /nfs/dbraw/zinc/54/43/21/384544321.db2.gz PYASVUZZFLOBPC-ZDUSSCGKSA-N 1 2 249.314 0.419 20 0 BCADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccon1 ZINC000357933299 384545531 /nfs/dbraw/zinc/54/55/31/384545531.db2.gz JGRHAMSZGAKKSQ-QMMMGPOBSA-N 1 2 249.274 0.969 20 0 BCADLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000137965158 384556266 /nfs/dbraw/zinc/55/62/66/384556266.db2.gz XUFHQOLWAZGLKR-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO C[C@]1(O)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000162010424 384558775 /nfs/dbraw/zinc/55/87/75/384558775.db2.gz PRWZGDCWPKWBRZ-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO CCCCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000184123650 384569101 /nfs/dbraw/zinc/56/91/01/384569101.db2.gz ZXSKADKIJVIRNG-UHFFFAOYSA-N 1 2 245.348 0.993 20 0 BCADLO COC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000306090452 384569425 /nfs/dbraw/zinc/56/94/25/384569425.db2.gz LNTPIIDRWIPEEO-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO COC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000306090452 384569434 /nfs/dbraw/zinc/56/94/34/384569434.db2.gz LNTPIIDRWIPEEO-VIFPVBQESA-N 1 2 237.307 0.625 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]C[C@H](O)COC)C(=O)OC ZINC000310029556 384573918 /nfs/dbraw/zinc/57/39/18/384573918.db2.gz QQMUQXYTZMLSFX-KXUCPTDWSA-N 1 2 233.308 0.171 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000102769909 384575870 /nfs/dbraw/zinc/57/58/70/384575870.db2.gz NCJWJPHHOABVDS-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000102769909 384575879 /nfs/dbraw/zinc/57/58/79/384575879.db2.gz NCJWJPHHOABVDS-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)[nH]n1 ZINC000123798323 384585361 /nfs/dbraw/zinc/58/53/61/384585361.db2.gz MWEZODCUSFALNL-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)n[nH]1 ZINC000123798323 384585369 /nfs/dbraw/zinc/58/53/69/384585369.db2.gz MWEZODCUSFALNL-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000123502819 384564812 /nfs/dbraw/zinc/56/48/12/384564812.db2.gz JAQHXSGLJJBKPU-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000123502819 384564820 /nfs/dbraw/zinc/56/48/20/384564820.db2.gz JAQHXSGLJJBKPU-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000171206506 384565000 /nfs/dbraw/zinc/56/50/00/384565000.db2.gz MOFQGALVXAZSKK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000171206506 384565009 /nfs/dbraw/zinc/56/50/09/384565009.db2.gz MOFQGALVXAZSKK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000050183089 384606419 /nfs/dbraw/zinc/60/64/19/384606419.db2.gz BXIOLJRNSDFREZ-LLVKDONJSA-N 1 2 238.335 0.750 20 0 BCADLO Cc1nc(N[C@H]2CCSC2)nc(N)[nH+]1 ZINC000306380730 384615364 /nfs/dbraw/zinc/61/53/64/384615364.db2.gz VTDWZTQROWKZJZ-LURJTMIESA-N 1 2 211.294 0.680 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCSC2)[nH+]1 ZINC000306380730 384615368 /nfs/dbraw/zinc/61/53/68/384615368.db2.gz VTDWZTQROWKZJZ-LURJTMIESA-N 1 2 211.294 0.680 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CC(=O)NCC1CC1 ZINC000427463888 384615911 /nfs/dbraw/zinc/61/59/11/384615911.db2.gz BRGSTKMZASGFDK-UHFFFAOYSA-N 1 2 247.298 0.667 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000172885693 384633104 /nfs/dbraw/zinc/63/31/04/384633104.db2.gz BUKAZXMTNCQHSE-SECBINFHSA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000172885689 384633405 /nfs/dbraw/zinc/63/34/05/384633405.db2.gz BUKAZXMTNCQHSE-VIFPVBQESA-N 1 2 211.265 0.257 20 0 BCADLO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000047617986 384621871 /nfs/dbraw/zinc/62/18/71/384621871.db2.gz BNVSQIHAFYBJPK-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccco1 ZINC000184576866 384623801 /nfs/dbraw/zinc/62/38/01/384623801.db2.gz PYTRILLTUUPNIO-UWVGGRQHSA-N 1 2 238.287 0.787 20 0 BCADLO Cn1c[nH+]cc1CN1CCOCC12CC2 ZINC000335324966 384596513 /nfs/dbraw/zinc/59/65/13/384596513.db2.gz QFYXUCGZPPRDOY-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000103149196 384597970 /nfs/dbraw/zinc/59/79/70/384597970.db2.gz VFGCSKGOOZHKIO-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000103149196 384597979 /nfs/dbraw/zinc/59/79/79/384597979.db2.gz VFGCSKGOOZHKIO-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC000081001853 384601224 /nfs/dbraw/zinc/60/12/24/384601224.db2.gz VZWQPCMXPHLEDZ-SSDOTTSWSA-N 1 2 242.304 0.116 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000081001853 384601231 /nfs/dbraw/zinc/60/12/31/384601231.db2.gz VZWQPCMXPHLEDZ-SSDOTTSWSA-N 1 2 242.304 0.116 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000309844519 384663516 /nfs/dbraw/zinc/66/35/16/384663516.db2.gz FWRWXEQQLVUILE-WDEREUQCSA-N 1 2 225.292 0.348 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000061707965 384670593 /nfs/dbraw/zinc/67/05/93/384670593.db2.gz QEBOCVPYEHGEMN-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000061707965 384670601 /nfs/dbraw/zinc/67/06/01/384670601.db2.gz QEBOCVPYEHGEMN-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1F ZINC000647531799 384634683 /nfs/dbraw/zinc/63/46/83/384634683.db2.gz STCKRLMHRLRBMZ-ZJUUUORDSA-N 1 2 225.267 0.969 20 0 BCADLO C[N@H+](CCC(=O)N1CCOCC1)CC(F)F ZINC000103488142 384634790 /nfs/dbraw/zinc/63/47/90/384634790.db2.gz MERZZSHXYWHKCA-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO C[N@@H+](CCC(=O)N1CCOCC1)CC(F)F ZINC000103488142 384634793 /nfs/dbraw/zinc/63/47/93/384634793.db2.gz MERZZSHXYWHKCA-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)c1nc[nH]n1 ZINC000561309401 384637219 /nfs/dbraw/zinc/63/72/19/384637219.db2.gz HXLLQOIDFZDCEI-RKDXNWHRSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)c1nnc[nH]1 ZINC000561309401 384637224 /nfs/dbraw/zinc/63/72/24/384637224.db2.gz HXLLQOIDFZDCEI-RKDXNWHRSA-N 1 2 237.307 0.322 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCNC(=O)C1 ZINC000151606974 384637900 /nfs/dbraw/zinc/63/79/00/384637900.db2.gz UPJQRDCMJORMCI-QMMMGPOBSA-N 1 2 249.270 0.555 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000184698905 384639105 /nfs/dbraw/zinc/63/91/05/384639105.db2.gz DKSAHVRPIHNVPY-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000184698905 384639109 /nfs/dbraw/zinc/63/91/09/384639109.db2.gz DKSAHVRPIHNVPY-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427487546 384641113 /nfs/dbraw/zinc/64/11/13/384641113.db2.gz PSDDVDXFCGGDJR-QMMMGPOBSA-N 1 2 223.276 0.085 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cocn1 ZINC000276991290 384646250 /nfs/dbraw/zinc/64/62/50/384646250.db2.gz IIWJVFFZTXGHLO-MRVPVSSYSA-N 1 2 211.265 0.631 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC1(CO)CCC1 ZINC000360118141 384675389 /nfs/dbraw/zinc/67/53/89/384675389.db2.gz HOAJBAGJEMKRAI-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO COCC[NH+](CCOC)Cc1nnc(C)[nH]1 ZINC000428469193 384651728 /nfs/dbraw/zinc/65/17/28/384651728.db2.gz SKFVXBFPBGWDBS-UHFFFAOYSA-N 1 2 228.296 0.208 20 0 BCADLO Cc1cnccc1C(=O)N1CC[NH+](C)CC1 ZINC000082304183 384662662 /nfs/dbraw/zinc/66/26/62/384662662.db2.gz WWUOHMXUSNXLDB-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086759593 384685745 /nfs/dbraw/zinc/68/57/45/384685745.db2.gz GSJQJXNWPKYZII-SFYZADRCSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086759621 384687821 /nfs/dbraw/zinc/68/78/21/384687821.db2.gz JEJWODRQTTVLDM-CBAPKCEASA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086759621 384687823 /nfs/dbraw/zinc/68/78/23/384687823.db2.gz JEJWODRQTTVLDM-CBAPKCEASA-N 1 2 209.249 0.451 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000309910442 384704251 /nfs/dbraw/zinc/70/42/51/384704251.db2.gz MKPYFWSSDYZRQT-ONGXEEELSA-N 1 2 233.308 0.315 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1ncc(C)n1C ZINC000309911601 384705517 /nfs/dbraw/zinc/70/55/17/384705517.db2.gz MZVZCTOBIVPANE-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCN(C)C(=O)CNCc1[nH+]cc(C)n1C ZINC000309911601 384705522 /nfs/dbraw/zinc/70/55/22/384705522.db2.gz MZVZCTOBIVPANE-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO COCC[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000300914046 384707765 /nfs/dbraw/zinc/70/77/65/384707765.db2.gz SIUWFTHBXRDGAG-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(O)CCSC1 ZINC000408042638 384717875 /nfs/dbraw/zinc/71/78/75/384717875.db2.gz MBWOJZHQRCDNOO-JTQLQIEISA-N 1 2 241.316 0.202 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC(F)F ZINC000290742004 384776682 /nfs/dbraw/zinc/77/66/82/384776682.db2.gz OCPIDUFMSCVFCK-UHFFFAOYSA-N 1 2 218.207 0.484 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2csnn2)[C@@H]1OC ZINC000309958308 384741033 /nfs/dbraw/zinc/74/10/33/384741033.db2.gz JSNBWOIGUUOUPB-BBBLOLIVSA-N 1 2 243.332 0.820 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)[C@H](C)O ZINC000309966671 384743668 /nfs/dbraw/zinc/74/36/68/384743668.db2.gz NTQVYZVUDVJHQD-AXTSPUMRSA-N 1 2 231.292 0.066 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCN1CCCC1=O ZINC000108856390 384754810 /nfs/dbraw/zinc/75/48/10/384754810.db2.gz YQKSQCNUUGCIHG-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO C[C@]1(NCCCn2cc[nH+]c2)CCOC1=O ZINC000289582041 384755457 /nfs/dbraw/zinc/75/54/57/384755457.db2.gz PDKVPGLTINRBKB-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000647552850 384760361 /nfs/dbraw/zinc/76/03/61/384760361.db2.gz DJACZSNKQDETTA-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO COC(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1)OC ZINC000367589503 384820304 /nfs/dbraw/zinc/82/03/04/384820304.db2.gz ZZNNLYVQSKMJKX-MNOVXSKESA-N 1 2 245.319 0.485 20 0 BCADLO COC(C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1)OC ZINC000367589503 384820311 /nfs/dbraw/zinc/82/03/11/384820311.db2.gz ZZNNLYVQSKMJKX-MNOVXSKESA-N 1 2 245.319 0.485 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104597817 384834274 /nfs/dbraw/zinc/83/42/74/384834274.db2.gz ZMKXPFWJPNLBBP-HBNTYKKESA-N 1 2 244.335 0.247 20 0 BCADLO Cc1ccnc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000083872203 384808812 /nfs/dbraw/zinc/80/88/12/384808812.db2.gz NSSKMHSOAZWROP-VIFPVBQESA-N 1 2 221.260 0.317 20 0 BCADLO CC[C@@H](CNC(=O)NCc1c[nH+]cn1C)OC ZINC000291749385 384870990 /nfs/dbraw/zinc/87/09/90/384870990.db2.gz CWNZVKCWDXAWPE-JTQLQIEISA-N 1 2 240.307 0.644 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1csnn1 ZINC000398275447 384880912 /nfs/dbraw/zinc/88/09/12/384880912.db2.gz SEBBLSXEJRWPAB-SSDOTTSWSA-N 1 2 228.321 0.713 20 0 BCADLO CC[C@](C)([NH2+]Cc1nc(C2CC2)no1)C(N)=O ZINC000177132493 384880927 /nfs/dbraw/zinc/88/09/27/384880927.db2.gz IARVJYPBSRICNE-NSHDSACASA-N 1 2 238.291 0.691 20 0 BCADLO OCC(F)(F)C[NH2+]CC1=CCCOC1 ZINC000183890633 384850904 /nfs/dbraw/zinc/85/09/04/384850904.db2.gz VSVMVLXWHSZNCB-UHFFFAOYSA-N 1 2 207.220 0.550 20 0 BCADLO COCCC[N@H+](CCOC)Cc1ncnn1C ZINC000177040292 384851782 /nfs/dbraw/zinc/85/17/82/384851782.db2.gz FJHSBHLMIWNGRU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1ncnn1C ZINC000177040292 384851787 /nfs/dbraw/zinc/85/17/87/384851787.db2.gz FJHSBHLMIWNGRU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1CN(C)C(=O)O1)C(C)C ZINC000497199076 384858117 /nfs/dbraw/zinc/85/81/17/384858117.db2.gz BGNSKPZRQLZWJB-VIFPVBQESA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1CN(C)C(=O)O1)C(C)C ZINC000497199076 384858123 /nfs/dbraw/zinc/85/81/23/384858123.db2.gz BGNSKPZRQLZWJB-VIFPVBQESA-N 1 2 244.291 0.320 20 0 BCADLO COCc1nsc(NC[C@@H](C)C[NH+](C)C)n1 ZINC000336673638 384860317 /nfs/dbraw/zinc/86/03/17/384860317.db2.gz HXQQHMAHKJCPKR-MRVPVSSYSA-N 1 2 244.364 0.716 20 0 BCADLO CC(C)(C)NC(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377062 384863244 /nfs/dbraw/zinc/86/32/44/384863244.db2.gz POVBECQXNNZADH-UHFFFAOYSA-N 1 2 226.320 0.358 20 0 BCADLO CC[C@H](CNC(=O)NCc1c[nH+]cn1C)OC ZINC000291749389 384868528 /nfs/dbraw/zinc/86/85/28/384868528.db2.gz CWNZVKCWDXAWPE-SNVBAGLBSA-N 1 2 240.307 0.644 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC(C2CC2)C1 ZINC000642936357 384956545 /nfs/dbraw/zinc/95/65/45/384956545.db2.gz LHSVOCLRFRENRI-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187547913 384956894 /nfs/dbraw/zinc/95/68/94/384956894.db2.gz WYZKXYXXZNYYFN-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187547913 384956899 /nfs/dbraw/zinc/95/68/99/384956899.db2.gz WYZKXYXXZNYYFN-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO COC(=O)NCC(=O)Nc1cc[nH+]cc1C ZINC000107285143 384957141 /nfs/dbraw/zinc/95/71/41/384957141.db2.gz DEBQPDJJQAJAII-UHFFFAOYSA-N 1 2 223.232 0.685 20 0 BCADLO C[C@H]([NH2+]CC(F)(F)CO)[C@@H]1CCCO1 ZINC000308647790 384895361 /nfs/dbraw/zinc/89/53/61/384895361.db2.gz IEQLPYLPHFYLSU-YUMQZZPRSA-N 1 2 209.236 0.771 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000107820861 384895983 /nfs/dbraw/zinc/89/59/83/384895983.db2.gz YDTIMWHPCCPOCJ-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000107820861 384895988 /nfs/dbraw/zinc/89/59/88/384895988.db2.gz YDTIMWHPCCPOCJ-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1[nH+]ccn1C ZINC000187027355 384905231 /nfs/dbraw/zinc/90/52/31/384905231.db2.gz LJQLXMZMCCCBJZ-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO COCC[C@H](COC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000336677474 384920687 /nfs/dbraw/zinc/92/06/87/384920687.db2.gz COWZXWJYAQQPHF-GHMZBOCLSA-N 1 2 245.319 0.579 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000177247482 384932294 /nfs/dbraw/zinc/93/22/94/384932294.db2.gz CBBLKFDEWFGSON-GFCCVEGCSA-N 1 2 248.330 0.918 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000177247482 384932300 /nfs/dbraw/zinc/93/23/00/384932300.db2.gz CBBLKFDEWFGSON-GFCCVEGCSA-N 1 2 248.330 0.918 20 0 BCADLO C[C@@H](CO)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000127698904 384932842 /nfs/dbraw/zinc/93/28/42/384932842.db2.gz AOZGVQFYMULSSM-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)OCC1CC1 ZINC000497280333 384934020 /nfs/dbraw/zinc/93/40/20/384934020.db2.gz VMRVAOJRQKEGKA-SNVBAGLBSA-N 1 2 242.319 0.843 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)OCC1CC1 ZINC000497280333 384934024 /nfs/dbraw/zinc/93/40/24/384934024.db2.gz VMRVAOJRQKEGKA-SNVBAGLBSA-N 1 2 242.319 0.843 20 0 BCADLO C[N@H+](CC(=O)Nc1nccs1)[C@@H]1CCOC1 ZINC000106883598 384937871 /nfs/dbraw/zinc/93/78/71/384937871.db2.gz AEBTUKAGZZALKE-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO C[N@@H+](CC(=O)Nc1nccs1)[C@@H]1CCOC1 ZINC000106883598 384937879 /nfs/dbraw/zinc/93/78/79/384937879.db2.gz AEBTUKAGZZALKE-MRVPVSSYSA-N 1 2 241.316 0.802 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccnn1-c1ccccc1 ZINC000448224999 384937970 /nfs/dbraw/zinc/93/79/70/384937970.db2.gz UOJIOWAUWYPXNX-UHFFFAOYSA-N 1 2 244.298 0.789 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccnn1-c1ccccc1 ZINC000448224999 384937977 /nfs/dbraw/zinc/93/79/77/384937977.db2.gz UOJIOWAUWYPXNX-UHFFFAOYSA-N 1 2 244.298 0.789 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC23COC3)[nH+]1 ZINC000635997246 384941828 /nfs/dbraw/zinc/94/18/28/384941828.db2.gz AZJYBHFJQZFCFA-UHFFFAOYSA-N 1 2 235.287 0.516 20 0 BCADLO CCc1cc(NCc2n[nH]c(=O)[nH]2)nc(C)[nH+]1 ZINC000302095954 384965100 /nfs/dbraw/zinc/96/51/00/384965100.db2.gz OAVUDUJRLZJVPE-UHFFFAOYSA-N 1 2 234.263 0.371 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000310321113 384978693 /nfs/dbraw/zinc/97/86/93/384978693.db2.gz WWTAFQYLAISBSP-SECBINFHSA-N 1 2 239.323 0.601 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000310321113 384978696 /nfs/dbraw/zinc/97/86/96/384978696.db2.gz WWTAFQYLAISBSP-SECBINFHSA-N 1 2 239.323 0.601 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000086128316 384991346 /nfs/dbraw/zinc/99/13/46/384991346.db2.gz QNJJTLLTDFQTDC-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H](O)C1 ZINC000176028554 384996465 /nfs/dbraw/zinc/99/64/65/384996465.db2.gz YOCDKOIFUZIYLA-JTQLQIEISA-N 1 2 231.255 0.541 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC000361591592 385003453 /nfs/dbraw/zinc/00/34/53/385003453.db2.gz OQEZLLLQHWPCNZ-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC000361591592 385003458 /nfs/dbraw/zinc/00/34/58/385003458.db2.gz OQEZLLLQHWPCNZ-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000188070042 385011315 /nfs/dbraw/zinc/01/13/15/385011315.db2.gz DUNLWIWPXLKSOR-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000188070042 385011322 /nfs/dbraw/zinc/01/13/22/385011322.db2.gz DUNLWIWPXLKSOR-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO Cc1occc1C[N@H+](C)CCNS(C)(=O)=O ZINC000107299550 384962649 /nfs/dbraw/zinc/96/26/49/384962649.db2.gz OAKKVDUEBBKGQQ-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO Cc1occc1C[N@@H+](C)CCNS(C)(=O)=O ZINC000107299550 384962653 /nfs/dbraw/zinc/96/26/53/384962653.db2.gz OAKKVDUEBBKGQQ-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1CO ZINC000156798274 384964395 /nfs/dbraw/zinc/96/43/95/384964395.db2.gz HFJXXXRAFBRUCR-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1CO ZINC000156798274 384964403 /nfs/dbraw/zinc/96/44/03/384964403.db2.gz HFJXXXRAFBRUCR-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO Cc1cccc2[nH+]c(CCNC(N)=O)cn21 ZINC000647638340 385047954 /nfs/dbraw/zinc/04/79/54/385047954.db2.gz IQLHLQJZSIGMON-UHFFFAOYSA-N 1 2 218.260 0.854 20 0 BCADLO CO[C@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CC1 ZINC000400169400 385048162 /nfs/dbraw/zinc/04/81/62/385048162.db2.gz KONFUPGPJDYRFH-PSASIEDQSA-N 1 2 224.308 0.891 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000086831641 385051660 /nfs/dbraw/zinc/05/16/60/385051660.db2.gz JUTJLFUBZLNLDT-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](CO)C1 ZINC000086831641 385051666 /nfs/dbraw/zinc/05/16/66/385051666.db2.gz JUTJLFUBZLNLDT-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000188466235 385056160 /nfs/dbraw/zinc/05/61/60/385056160.db2.gz CARRGCDMLALMSR-UHFFFAOYSA-N 1 2 226.251 0.839 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000188466235 385056166 /nfs/dbraw/zinc/05/61/66/385056166.db2.gz CARRGCDMLALMSR-UHFFFAOYSA-N 1 2 226.251 0.839 20 0 BCADLO Cc1ocnc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557664442 385085234 /nfs/dbraw/zinc/08/52/34/385085234.db2.gz SCDGRFIGOUZONU-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H](C)O)c1 ZINC000518396507 385058155 /nfs/dbraw/zinc/05/81/55/385058155.db2.gz HBUYEXLOZHQJEU-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@@H](C)O)c1 ZINC000518396507 385058160 /nfs/dbraw/zinc/05/81/60/385058160.db2.gz HBUYEXLOZHQJEU-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CSC ZINC000361633801 385059164 /nfs/dbraw/zinc/05/91/64/385059164.db2.gz XHPMFBIUNHOTFU-HTQZYQBOSA-N 1 2 221.322 0.204 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CSC ZINC000361633801 385059176 /nfs/dbraw/zinc/05/91/76/385059176.db2.gz XHPMFBIUNHOTFU-HTQZYQBOSA-N 1 2 221.322 0.204 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046350 385065042 /nfs/dbraw/zinc/06/50/42/385065042.db2.gz WENQLRPOBSLAGE-KYXWUPHJSA-N 1 2 230.283 0.452 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408046350 385065052 /nfs/dbraw/zinc/06/50/52/385065052.db2.gz WENQLRPOBSLAGE-KYXWUPHJSA-N 1 2 230.283 0.452 20 0 BCADLO Cc1nc(C[N@H+](CCO)CCCO)oc1C ZINC000303994761 385073299 /nfs/dbraw/zinc/07/32/99/385073299.db2.gz OMSVXMPOIPBSFI-UHFFFAOYSA-N 1 2 228.292 0.468 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CCCO)oc1C ZINC000303994761 385073304 /nfs/dbraw/zinc/07/33/04/385073304.db2.gz OMSVXMPOIPBSFI-UHFFFAOYSA-N 1 2 228.292 0.468 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000407947433 385076037 /nfs/dbraw/zinc/07/60/37/385076037.db2.gz BIFRZJGZECVZSQ-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ncnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000407947433 385076049 /nfs/dbraw/zinc/07/60/49/385076049.db2.gz BIFRZJGZECVZSQ-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)nc1 ZINC000156947655 385030782 /nfs/dbraw/zinc/03/07/82/385030782.db2.gz ZFSGBCBAECONCR-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)nc1 ZINC000156947655 385030787 /nfs/dbraw/zinc/03/07/87/385030787.db2.gz ZFSGBCBAECONCR-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@@H](CO)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000086624431 385032719 /nfs/dbraw/zinc/03/27/19/385032719.db2.gz FEFDGMFDVWNTMT-SNVBAGLBSA-N 1 2 247.298 0.621 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2c[nH]nc2C)C[C@@H](C)O1 ZINC000188336101 385040582 /nfs/dbraw/zinc/04/05/82/385040582.db2.gz VHRRSEFLCHKOMA-SKDRFNHKSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)C[C@@H](C)O1 ZINC000188336101 385040584 /nfs/dbraw/zinc/04/05/84/385040584.db2.gz VHRRSEFLCHKOMA-SKDRFNHKSA-N 1 2 239.319 0.954 20 0 BCADLO CC[C@@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000308727241 385041422 /nfs/dbraw/zinc/04/14/22/385041422.db2.gz HEZQUKACSRDKKH-BDAKNGLRSA-N 1 2 203.282 0.810 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCC(F)(F)C1 ZINC000334154888 385108805 /nfs/dbraw/zinc/10/88/05/385108805.db2.gz SUKSSABXKYNZGI-UHFFFAOYSA-N 1 2 244.245 0.971 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](O)C1(C)C ZINC000129147560 385114050 /nfs/dbraw/zinc/11/40/50/385114050.db2.gz PGDYZACISUUEQH-IUCAKERBSA-N 1 2 247.302 0.935 20 0 BCADLO CCC[C@]1(C)C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000189033402 385118421 /nfs/dbraw/zinc/11/84/21/385118421.db2.gz PZVPXOUZXYWALF-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO Cc1nc(CC[NH2+]Cc2cn(C(C)C)nn2)n[nH]1 ZINC000342156001 385118732 /nfs/dbraw/zinc/11/87/32/385118732.db2.gz CVNXIDIHJWTAIP-UHFFFAOYSA-N 1 2 249.322 0.618 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2cn(C(C)C)nn2)[nH]1 ZINC000342156001 385118739 /nfs/dbraw/zinc/11/87/39/385118739.db2.gz CVNXIDIHJWTAIP-UHFFFAOYSA-N 1 2 249.322 0.618 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cn1 ZINC000407953363 385118858 /nfs/dbraw/zinc/11/88/58/385118858.db2.gz BXSXOJIRJCSQMV-VXGBXAGGSA-N 1 2 246.314 0.495 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cn1 ZINC000407953363 385118861 /nfs/dbraw/zinc/11/88/61/385118861.db2.gz BXSXOJIRJCSQMV-VXGBXAGGSA-N 1 2 246.314 0.495 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000407951933 385127570 /nfs/dbraw/zinc/12/75/70/385127570.db2.gz KUEWSLQOPLOIRS-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000407951933 385127577 /nfs/dbraw/zinc/12/75/77/385127577.db2.gz KUEWSLQOPLOIRS-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000644714625 385129204 /nfs/dbraw/zinc/12/92/04/385129204.db2.gz PJMDZRGUXMPBCL-BRPSZJMVSA-N 1 2 222.292 0.037 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)[nH]1 ZINC000644714625 385129209 /nfs/dbraw/zinc/12/92/09/385129209.db2.gz PJMDZRGUXMPBCL-BRPSZJMVSA-N 1 2 222.292 0.037 20 0 BCADLO CSCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306614930 385129377 /nfs/dbraw/zinc/12/93/77/385129377.db2.gz AUZCNHXPXWGQGM-PRHODGIISA-N 1 2 207.364 0.802 20 0 BCADLO CSCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000306614930 385129378 /nfs/dbraw/zinc/12/93/78/385129378.db2.gz AUZCNHXPXWGQGM-PRHODGIISA-N 1 2 207.364 0.802 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714379 385130257 /nfs/dbraw/zinc/13/02/57/385130257.db2.gz ASSGFNLXGFXMPH-SNXWAXQRSA-N 1 2 249.318 0.239 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714379 385130263 /nfs/dbraw/zinc/13/02/63/385130263.db2.gz ASSGFNLXGFXMPH-SNXWAXQRSA-N 1 2 249.318 0.239 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2COCCO2)c[nH+]1 ZINC000061680214 385132060 /nfs/dbraw/zinc/13/20/60/385132060.db2.gz WWLACLVITKIJGU-QMMMGPOBSA-N 1 2 223.232 0.018 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715009 385133296 /nfs/dbraw/zinc/13/32/96/385133296.db2.gz GSFUDXITRFQILS-MYJAWHEDSA-N 1 2 237.303 0.863 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715009 385133302 /nfs/dbraw/zinc/13/33/02/385133302.db2.gz GSFUDXITRFQILS-MYJAWHEDSA-N 1 2 237.303 0.863 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000644678428 385088865 /nfs/dbraw/zinc/08/88/65/385088865.db2.gz SJHQQWJXHMJFQD-SECBINFHSA-N 1 2 223.324 0.639 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000644678428 385088873 /nfs/dbraw/zinc/08/88/73/385088873.db2.gz SJHQQWJXHMJFQD-SECBINFHSA-N 1 2 223.324 0.639 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000157159096 385089490 /nfs/dbraw/zinc/08/94/90/385089490.db2.gz MRQMNGUOCOVWED-JTQLQIEISA-N 1 2 235.287 0.862 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000157159096 385089497 /nfs/dbraw/zinc/08/94/97/385089497.db2.gz MRQMNGUOCOVWED-JTQLQIEISA-N 1 2 235.287 0.862 20 0 BCADLO Cc1noc(C[N@@H+]2CCSC[C@H]2CCO)n1 ZINC000407948786 385095414 /nfs/dbraw/zinc/09/54/14/385095414.db2.gz KRPSJKGRAWQAAX-SECBINFHSA-N 1 2 243.332 0.678 20 0 BCADLO Cc1noc(C[N@H+]2CCSC[C@H]2CCO)n1 ZINC000407948786 385095418 /nfs/dbraw/zinc/09/54/18/385095418.db2.gz KRPSJKGRAWQAAX-SECBINFHSA-N 1 2 243.332 0.678 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000407949310 385100111 /nfs/dbraw/zinc/10/01/11/385100111.db2.gz GGANGGLPLZLQNZ-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000407949310 385100121 /nfs/dbraw/zinc/10/01/21/385100121.db2.gz GGANGGLPLZLQNZ-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc(N2CCSC[C@@H]2C)nc(N)[nH+]1 ZINC000308784587 385102050 /nfs/dbraw/zinc/10/20/50/385102050.db2.gz AMWARHLIGINBFL-LURJTMIESA-N 1 2 225.321 0.704 20 0 BCADLO Cc1nc(N)nc(N2CCSC[C@@H]2C)[nH+]1 ZINC000308784587 385102054 /nfs/dbraw/zinc/10/20/54/385102054.db2.gz AMWARHLIGINBFL-LURJTMIESA-N 1 2 225.321 0.704 20 0 BCADLO COC[C@@H](C)CNc1nc(C)[nH+]c(N)n1 ZINC000308784741 385102854 /nfs/dbraw/zinc/10/28/54/385102854.db2.gz AOYANXDSZUOKEX-LURJTMIESA-N 1 2 211.269 0.457 20 0 BCADLO COC[C@@H](C)CNc1nc(N)nc(C)[nH+]1 ZINC000308784741 385102864 /nfs/dbraw/zinc/10/28/64/385102864.db2.gz AOYANXDSZUOKEX-LURJTMIESA-N 1 2 211.269 0.457 20 0 BCADLO C[C@H]1OCC[N@H+](CC[C@H]2CCCO2)[C@@H]1C(N)=O ZINC000408048492 385184366 /nfs/dbraw/zinc/18/43/66/385184366.db2.gz YKKPKPLHYLGJNF-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H]1OCC[N@@H+](CC[C@H]2CCCO2)[C@@H]1C(N)=O ZINC000408048492 385184371 /nfs/dbraw/zinc/18/43/71/385184371.db2.gz YKKPKPLHYLGJNF-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC(O)C1 ZINC000062808917 385186249 /nfs/dbraw/zinc/18/62/49/385186249.db2.gz ZSMIMFLAQBFLIU-UHFFFAOYSA-N 1 2 244.254 0.084 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000152553005 385190801 /nfs/dbraw/zinc/19/08/01/385190801.db2.gz WXTOFUXICGYRME-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NC(C)C ZINC000289687867 385191280 /nfs/dbraw/zinc/19/12/80/385191280.db2.gz BDABNBHNJADYHE-UHFFFAOYSA-N 1 2 210.281 0.332 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NC(C)C ZINC000289687867 385191284 /nfs/dbraw/zinc/19/12/84/385191284.db2.gz BDABNBHNJADYHE-UHFFFAOYSA-N 1 2 210.281 0.332 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C1(CO)CC1 ZINC000308830339 385197699 /nfs/dbraw/zinc/19/76/99/385197699.db2.gz JFAIZNRFDOMQSR-UHFFFAOYSA-N 1 2 208.265 0.016 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C1(CO)CC1 ZINC000308830339 385197706 /nfs/dbraw/zinc/19/77/06/385197706.db2.gz JFAIZNRFDOMQSR-UHFFFAOYSA-N 1 2 208.265 0.016 20 0 BCADLO O[C@@H]1C[NH+](Cc2nc3ccccc3o2)C[C@H]1O ZINC000236524583 385148912 /nfs/dbraw/zinc/14/89/12/385148912.db2.gz ZLQCBMFNFLSILZ-NXEZZACHSA-N 1 2 234.255 0.365 20 0 BCADLO CO[C@@H](C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000189382500 385151209 /nfs/dbraw/zinc/15/12/09/385151209.db2.gz ABVLBGHXRITTEZ-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000176924658 385159194 /nfs/dbraw/zinc/15/91/94/385159194.db2.gz LGQXNJSGBIBLTD-FHKCNRDCSA-N 1 2 215.684 0.448 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000176924658 385159200 /nfs/dbraw/zinc/15/92/00/385159200.db2.gz LGQXNJSGBIBLTD-FHKCNRDCSA-N 1 2 215.684 0.448 20 0 BCADLO CC(C)[C@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177045079 385170235 /nfs/dbraw/zinc/17/02/35/385170235.db2.gz FVRFEJKIWKFUEL-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO CC[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000308808793 385177212 /nfs/dbraw/zinc/17/72/12/385177212.db2.gz BPQJKPVFLHJSCX-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000336388940 385223323 /nfs/dbraw/zinc/22/33/23/385223323.db2.gz COHDROJKIUAFMG-UHFFFAOYSA-N 1 2 232.349 0.364 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364184059 385226788 /nfs/dbraw/zinc/22/67/88/385226788.db2.gz BAIOUXMABYRZSH-GXSJLCMTSA-N 1 2 236.271 0.442 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647075112 385227067 /nfs/dbraw/zinc/22/70/67/385227067.db2.gz BFBAIARTTBUYGW-DTWKUNHWSA-N 1 2 225.267 0.920 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CF ZINC000557909377 385234678 /nfs/dbraw/zinc/23/46/78/385234678.db2.gz LAEPGQRPPIHINJ-SECBINFHSA-N 1 2 225.267 0.923 20 0 BCADLO CNC(=O)CCCN(C)c1cc(C)[nH+]cn1 ZINC000157672643 385244426 /nfs/dbraw/zinc/24/44/26/385244426.db2.gz LTTGBVMSIBARML-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1nccn1C ZINC000153372359 385250389 /nfs/dbraw/zinc/25/03/89/385250389.db2.gz LQHVDBRPZYQHDK-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1nccn1C ZINC000153372359 385250400 /nfs/dbraw/zinc/25/04/00/385250400.db2.gz LQHVDBRPZYQHDK-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000188965638 385253929 /nfs/dbraw/zinc/25/39/29/385253929.db2.gz ZVVIRGZNMSNXNJ-ZETCQYMHSA-N 1 2 243.225 0.795 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000188965638 385253935 /nfs/dbraw/zinc/25/39/35/385253935.db2.gz ZVVIRGZNMSNXNJ-ZETCQYMHSA-N 1 2 243.225 0.795 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000280092536 385254371 /nfs/dbraw/zinc/25/43/71/385254371.db2.gz ZGAKTUUPQOMLEB-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO COC(=O)[C@@]1(C)CCCN1Cc1c[nH+]c[nH]1 ZINC000189994120 385202932 /nfs/dbraw/zinc/20/29/32/385202932.db2.gz MIMGNEAFVZRSQT-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000164800435 385306945 /nfs/dbraw/zinc/30/69/45/385306945.db2.gz VADWWPYWOOLBCX-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO COC(=O)[C@@H](C)NCc1[nH+]cc(C)n1C ZINC000308962686 385314470 /nfs/dbraw/zinc/31/44/70/385314470.db2.gz SJYWDHFITUILGA-MRVPVSSYSA-N 1 2 211.265 0.380 20 0 BCADLO O=C([C@H]1CCCCO1)N1CCn2c[nH+]cc2C1 ZINC000290893443 385261404 /nfs/dbraw/zinc/26/14/04/385261404.db2.gz GDRUQGWEDNJOIC-LLVKDONJSA-N 1 2 235.287 0.794 20 0 BCADLO CO[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000407975420 385265586 /nfs/dbraw/zinc/26/55/86/385265586.db2.gz JFJRQOAOWLSLNW-MRVPVSSYSA-N 1 2 233.275 0.588 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190868443 385267554 /nfs/dbraw/zinc/26/75/54/385267554.db2.gz BGQRIBLNTOOLNP-APPZFPTMSA-N 1 2 211.265 0.438 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190868443 385267559 /nfs/dbraw/zinc/26/75/59/385267559.db2.gz BGQRIBLNTOOLNP-APPZFPTMSA-N 1 2 211.265 0.438 20 0 BCADLO Cc1ccc(O)c(CN2CC[NH+](C)CC2)n1 ZINC000154405018 385323232 /nfs/dbraw/zinc/32/32/32/385323232.db2.gz XTLOEHVBFUIUFN-UHFFFAOYSA-N 1 2 221.304 0.843 20 0 BCADLO Cc1ccc(O)c(C[NH+]2CCN(C)CC2)n1 ZINC000154405018 385323240 /nfs/dbraw/zinc/32/32/40/385323240.db2.gz XTLOEHVBFUIUFN-UHFFFAOYSA-N 1 2 221.304 0.843 20 0 BCADLO CC(C)(C)n1ncnc1C[NH+]1CCC(O)CC1 ZINC000407980688 385286904 /nfs/dbraw/zinc/28/69/04/385286904.db2.gz LUTPJJURDFSHOR-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CO[C@@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000292234268 385295426 /nfs/dbraw/zinc/29/54/26/385295426.db2.gz FWMLUIMAUHHSQK-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO COC[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000308942978 385300029 /nfs/dbraw/zinc/30/00/29/385300029.db2.gz MSUCXVUHONVFBP-VIFPVBQESA-N 1 2 215.293 0.953 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccncc1C ZINC000648361796 385333809 /nfs/dbraw/zinc/33/38/09/385333809.db2.gz IJPOXADGKYJTHR-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccncc1C ZINC000648361796 385333814 /nfs/dbraw/zinc/33/38/14/385333814.db2.gz IJPOXADGKYJTHR-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)Cc1cccc(O)c1 ZINC000168856631 385389845 /nfs/dbraw/zinc/38/98/45/385389845.db2.gz YMJQXOXUVGUJQP-UHFFFAOYSA-N 1 2 243.328 0.869 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(O)c1 ZINC000168856631 385389847 /nfs/dbraw/zinc/38/98/47/385389847.db2.gz YMJQXOXUVGUJQP-UHFFFAOYSA-N 1 2 243.328 0.869 20 0 BCADLO Cc1nc(N(C)Cc2nnnn2C)c(C)c(C)[nH+]1 ZINC000354403533 385359461 /nfs/dbraw/zinc/35/94/61/385359461.db2.gz OCSBKBCGFYGFKP-UHFFFAOYSA-N 1 2 247.306 0.562 20 0 BCADLO C[C@H](O)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192529359 385360867 /nfs/dbraw/zinc/36/08/67/385360867.db2.gz VUSKDPPEZWZBRG-VIFPVBQESA-N 1 2 248.286 0.514 20 0 BCADLO Cn1ccc(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000155161856 385378379 /nfs/dbraw/zinc/37/83/79/385378379.db2.gz IXGYUSXTUQSJMB-UHFFFAOYSA-N 1 2 230.333 0.502 20 0 BCADLO Cn1ccc(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000155161856 385378383 /nfs/dbraw/zinc/37/83/83/385378383.db2.gz IXGYUSXTUQSJMB-UHFFFAOYSA-N 1 2 230.333 0.502 20 0 BCADLO Cn1c(Cl)c[nH+]c1Cn1ncsc1=O ZINC000155207078 385379895 /nfs/dbraw/zinc/37/98/95/385379895.db2.gz GFUSEZDOPYQDJL-UHFFFAOYSA-N 1 2 230.680 0.740 20 0 BCADLO C[C@H](O)CSc1[nH+]cnc2c1cnn2C ZINC000193081562 385383331 /nfs/dbraw/zinc/38/33/31/385383331.db2.gz ASNHPUFNUPHNPA-LURJTMIESA-N 1 2 224.289 0.836 20 0 BCADLO COC(=O)[C@]1([NH2+]CC2CCC2)CCOC1 ZINC000308971493 385327925 /nfs/dbraw/zinc/32/79/25/385327925.db2.gz ZUYPUWVHMJJNOJ-NSHDSACASA-N 1 2 213.277 0.708 20 0 BCADLO COc1cc(C)[nH+]c(CN2CC[C@H](O)C2)c1 ZINC000168890198 385391664 /nfs/dbraw/zinc/39/16/64/385391664.db2.gz AAMMEIQDVXWOJU-NSHDSACASA-N 1 2 222.288 0.965 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364391836 385403490 /nfs/dbraw/zinc/40/34/90/385403490.db2.gz WLCRVCWGDYXXCP-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCO)[C@H](C)CC ZINC000181633150 385411868 /nfs/dbraw/zinc/41/18/68/385411868.db2.gz QXNBRXHPMJAPOO-BDAKNGLRSA-N 1 2 203.282 0.546 20 0 BCADLO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000364398529 385414749 /nfs/dbraw/zinc/41/47/49/385414749.db2.gz DMYUJBZXJRRLTE-SECBINFHSA-N 1 2 237.307 0.420 20 0 BCADLO C[C@@H](Nc1cccc[nH+]1)C(=O)NCCF ZINC000309109248 385426238 /nfs/dbraw/zinc/42/62/38/385426238.db2.gz JDEAODGVUUSDMX-MRVPVSSYSA-N 1 2 211.240 0.968 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000362069839 385416752 /nfs/dbraw/zinc/41/67/52/385416752.db2.gz FRLQJDYLDMGQMB-DTWKUNHWSA-N 1 2 210.281 0.690 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000362069839 385416756 /nfs/dbraw/zinc/41/67/56/385416756.db2.gz FRLQJDYLDMGQMB-DTWKUNHWSA-N 1 2 210.281 0.690 20 0 BCADLO COC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155907382 385420414 /nfs/dbraw/zinc/42/04/14/385420414.db2.gz KFTZBLGPCDICPV-UHFFFAOYSA-N 1 2 238.291 0.163 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000179135999 385445254 /nfs/dbraw/zinc/44/52/54/385445254.db2.gz SJESOQJEBAAABG-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000179135999 385445256 /nfs/dbraw/zinc/44/52/56/385445256.db2.gz SJESOQJEBAAABG-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2nccs2)[N@H+](C)C1 ZINC000408030446 385449664 /nfs/dbraw/zinc/44/96/64/385449664.db2.gz KYIVBZZBMGMOAU-YUMQZZPRSA-N 1 2 241.316 0.801 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2nccs2)[N@@H+](C)C1 ZINC000408030446 385449667 /nfs/dbraw/zinc/44/96/67/385449667.db2.gz KYIVBZZBMGMOAU-YUMQZZPRSA-N 1 2 241.316 0.801 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC(C(N)=O)CC1 ZINC000408061443 385428873 /nfs/dbraw/zinc/42/88/73/385428873.db2.gz JZENNEOMIGCRFU-UHFFFAOYSA-N 1 2 222.292 0.415 20 0 BCADLO c1[nH]c(CN2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000179410286 385465248 /nfs/dbraw/zinc/46/52/48/385465248.db2.gz MVFRERFXHNLMLT-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)on1 ZINC000156911744 385474408 /nfs/dbraw/zinc/47/44/08/385474408.db2.gz YIWFQBKCUOCPBW-MNOVXSKESA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)on1 ZINC000156911744 385474409 /nfs/dbraw/zinc/47/44/09/385474409.db2.gz YIWFQBKCUOCPBW-MNOVXSKESA-N 1 2 240.303 0.955 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000179580817 385475886 /nfs/dbraw/zinc/47/58/86/385475886.db2.gz WBIGDIUXHXPOLH-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000179580817 385475889 /nfs/dbraw/zinc/47/58/89/385475889.db2.gz WBIGDIUXHXPOLH-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO CCN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000171317524 385476897 /nfs/dbraw/zinc/47/68/97/385476897.db2.gz JGRPSNJJGQOMSI-UHFFFAOYSA-N 1 2 237.259 0.507 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1ccon1 ZINC000157308815 385496824 /nfs/dbraw/zinc/49/68/24/385496824.db2.gz FOFSBROPNDOZHE-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccon1 ZINC000157308815 385496827 /nfs/dbraw/zinc/49/68/27/385496827.db2.gz FOFSBROPNDOZHE-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000180082233 385506572 /nfs/dbraw/zinc/50/65/72/385506572.db2.gz VDPMSVPPCHDDMG-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000180082233 385506574 /nfs/dbraw/zinc/50/65/74/385506574.db2.gz VDPMSVPPCHDDMG-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO CC(C)C(=O)NCCN(C)Cc1[nH]cc[nH+]1 ZINC000157541259 385507280 /nfs/dbraw/zinc/50/72/80/385507280.db2.gz FFQYQAKVTRMHPE-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CCc1cc(N)nc(SCCOCCO)[nH+]1 ZINC000309282978 385511486 /nfs/dbraw/zinc/51/14/86/385511486.db2.gz NTEJSYNRNCMWJH-UHFFFAOYSA-N 1 2 243.332 0.722 20 0 BCADLO C[C@@H]1C[C@H](CO)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493078880 385513932 /nfs/dbraw/zinc/51/39/32/385513932.db2.gz CGKIGCKRSNFZBF-NTYHVHHESA-N 1 2 249.314 0.900 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+](C)CCCO ZINC000183259227 385515276 /nfs/dbraw/zinc/51/52/76/385515276.db2.gz JNMRLUUVKHBRMG-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+](C)CCCO ZINC000183259227 385515279 /nfs/dbraw/zinc/51/52/79/385515279.db2.gz JNMRLUUVKHBRMG-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccnn2C)CC1 ZINC000157861265 385531081 /nfs/dbraw/zinc/53/10/81/385531081.db2.gz BWPOJLLTEIRIHX-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC1 ZINC000106818035 385532574 /nfs/dbraw/zinc/53/25/74/385532574.db2.gz BYHRGVQNTYIOKY-SNVBAGLBSA-N 1 2 225.336 0.149 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1CO ZINC000364955081 385547588 /nfs/dbraw/zinc/54/75/88/385547588.db2.gz PQUMUCZCUDILPQ-GHMZBOCLSA-N 1 2 249.314 0.429 20 0 BCADLO CC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000183462728 385548181 /nfs/dbraw/zinc/54/81/81/385548181.db2.gz TUTVYCHQEYCWQD-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO CNc1nc(C)cc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000302392767 385520295 /nfs/dbraw/zinc/52/02/95/385520295.db2.gz PPADZTMTQVBCPP-UHFFFAOYSA-N 1 2 246.274 0.480 20 0 BCADLO CNc1nc(C)cc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000302392767 385520297 /nfs/dbraw/zinc/52/02/97/385520297.db2.gz PPADZTMTQVBCPP-UHFFFAOYSA-N 1 2 246.274 0.480 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000644141439 385521745 /nfs/dbraw/zinc/52/17/45/385521745.db2.gz YWLICUOKXBNWRA-DTWKUNHWSA-N 1 2 236.275 0.103 20 0 BCADLO CCc1cc(N2CCNC(=O)[C@H]2C)nc(C)[nH+]1 ZINC000180447836 385523217 /nfs/dbraw/zinc/52/32/17/385523217.db2.gz LDELCRJJXSDDLQ-MRVPVSSYSA-N 1 2 234.303 0.672 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000408156115 385574367 /nfs/dbraw/zinc/57/43/67/385574367.db2.gz WKFSAXCGUMPMOS-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000408156115 385574371 /nfs/dbraw/zinc/57/43/71/385574371.db2.gz WKFSAXCGUMPMOS-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000408154638 385574627 /nfs/dbraw/zinc/57/46/27/385574627.db2.gz LOFJJROHKZVJFN-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO Cc1cc(N2C[C@H](F)C[C@H]2C(N)=O)nc[nH+]1 ZINC000408034802 385550664 /nfs/dbraw/zinc/55/06/64/385550664.db2.gz VNGSGVMFRPSYPZ-SFYZADRCSA-N 1 2 224.239 0.187 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CCC(O)CC3)c2C1 ZINC000408158465 385576743 /nfs/dbraw/zinc/57/67/43/385576743.db2.gz KWVZLTWXJSMHBH-UHFFFAOYSA-N 1 2 248.330 0.426 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CCC(O)CC3)c2C1 ZINC000408158465 385576745 /nfs/dbraw/zinc/57/67/45/385576745.db2.gz KWVZLTWXJSMHBH-UHFFFAOYSA-N 1 2 248.330 0.426 20 0 BCADLO CN(C(=O)CCc1c[nH+]cn1C)C1(CO)CC1 ZINC000647701180 385564997 /nfs/dbraw/zinc/56/49/97/385564997.db2.gz YPUVTTCSTCQAPH-UHFFFAOYSA-N 1 2 237.303 0.336 20 0 BCADLO CCC[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000309466956 385595564 /nfs/dbraw/zinc/59/55/64/385595564.db2.gz POZHYLVLVCEPNS-JTQLQIEISA-N 1 2 225.292 0.851 20 0 BCADLO CSCCONC(=O)NCc1[nH+]ccn1C ZINC000280759155 385602245 /nfs/dbraw/zinc/60/22/45/385602245.db2.gz DIGHOFONROMNCY-UHFFFAOYSA-N 1 2 244.320 0.514 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCc1cnn(C)c1 ZINC000280810915 385606895 /nfs/dbraw/zinc/60/68/95/385606895.db2.gz TWILRBBLBCDQBQ-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCc1cnn(C)c1 ZINC000280810915 385606901 /nfs/dbraw/zinc/60/69/01/385606901.db2.gz TWILRBBLBCDQBQ-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO CC[C@H](Nc1cc(-n2cc[nH+]c2)ncn1)C(N)=O ZINC000643173720 385578529 /nfs/dbraw/zinc/57/85/29/385578529.db2.gz VVBIBNSKMPMNKU-QMMMGPOBSA-N 1 2 246.274 0.338 20 0 BCADLO CCN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCOC1 ZINC000643176652 385585010 /nfs/dbraw/zinc/58/50/10/385585010.db2.gz KUSZDVFFMHVOQO-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754654 385613949 /nfs/dbraw/zinc/61/39/49/385613949.db2.gz NNZIMIKANKUKSM-ZDTBXWBLSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+](C[C@H]1CNC(=O)O1)C2 ZINC000495584651 385614266 /nfs/dbraw/zinc/61/42/66/385614266.db2.gz JYJAHYHQDSOGMZ-SNVBAGLBSA-N 1 2 248.286 0.252 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+](C[C@H]1CNC(=O)O1)C2 ZINC000495584651 385614270 /nfs/dbraw/zinc/61/42/70/385614270.db2.gz JYJAHYHQDSOGMZ-SNVBAGLBSA-N 1 2 248.286 0.252 20 0 BCADLO COC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(=O)OC ZINC000309495964 385616018 /nfs/dbraw/zinc/61/60/18/385616018.db2.gz YJLXUMQVHKJHPH-UTLUCORTSA-N 1 2 231.292 0.189 20 0 BCADLO CCCCNC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939404 385617400 /nfs/dbraw/zinc/61/74/00/385617400.db2.gz NFLMXJHTMVNDEV-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000269665777 385620831 /nfs/dbraw/zinc/62/08/31/385620831.db2.gz PXZYPTNIXHEYIS-MRVPVSSYSA-N 1 2 236.275 0.054 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000269665777 385620833 /nfs/dbraw/zinc/62/08/33/385620833.db2.gz PXZYPTNIXHEYIS-MRVPVSSYSA-N 1 2 236.275 0.054 20 0 BCADLO CON(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365166267 385624426 /nfs/dbraw/zinc/62/44/26/385624426.db2.gz XXXGKWFAYAPFDW-NSHDSACASA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365166267 385624435 /nfs/dbraw/zinc/62/44/35/385624435.db2.gz XXXGKWFAYAPFDW-NSHDSACASA-N 1 2 242.319 0.650 20 0 BCADLO COC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000269733707 385632644 /nfs/dbraw/zinc/63/26/44/385632644.db2.gz WXXGMVRCBRWSPX-SNVBAGLBSA-N 1 2 223.276 0.873 20 0 BCADLO COCC[C@H](COC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336677476 385608313 /nfs/dbraw/zinc/60/83/13/385608313.db2.gz COWZXWJYAQQPHF-MNOVXSKESA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@H](C)N(C)Cc1c[nH+]cn1C ZINC000280842106 385611167 /nfs/dbraw/zinc/61/11/67/385611167.db2.gz LWODRKCBHKQLCT-QMMMGPOBSA-N 1 2 211.265 0.413 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)C(C)C)C[NH2+]1 ZINC000365683773 385613427 /nfs/dbraw/zinc/61/34/27/385613427.db2.gz YYLFTYOSZYWOHP-KXUCPTDWSA-N 1 2 242.319 0.298 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281140147 385637771 /nfs/dbraw/zinc/63/77/71/385637771.db2.gz JJDIDTAJTCJDLL-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281140147 385637777 /nfs/dbraw/zinc/63/77/77/385637777.db2.gz JJDIDTAJTCJDLL-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CS[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000269874649 385641476 /nfs/dbraw/zinc/64/14/76/385641476.db2.gz ZUQIPSMQXBBLSR-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO Cc1cc(N2CCN3C(=O)OCC[C@@H]3C2)nc[nH+]1 ZINC000494086459 385643073 /nfs/dbraw/zinc/64/30/73/385643073.db2.gz PCLCCAPYOGLGSO-SNVBAGLBSA-N 1 2 248.286 0.816 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)c1cnnn1C ZINC000281279742 385651853 /nfs/dbraw/zinc/65/18/53/385651853.db2.gz RWTXGUGEBXSTIN-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000307247585 385652657 /nfs/dbraw/zinc/65/26/57/385652657.db2.gz HOMOIWUKSOYENL-UHFFFAOYSA-N 1 2 225.210 0.965 20 0 BCADLO COC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(=O)OC ZINC000309520746 385656178 /nfs/dbraw/zinc/65/61/78/385656178.db2.gz AMLANKJYDKFYSI-DCAQKATOSA-N 1 2 227.304 0.953 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000408207638 385662547 /nfs/dbraw/zinc/66/25/47/385662547.db2.gz IOYBNBIZONSIDW-GXSJLCMTSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000408207638 385662551 /nfs/dbraw/zinc/66/25/51/385662551.db2.gz IOYBNBIZONSIDW-GXSJLCMTSA-N 1 2 240.307 0.051 20 0 BCADLO O=C1C[N@H+](CCc2cccnc2)CCN1C1CC1 ZINC000337445247 385663203 /nfs/dbraw/zinc/66/32/03/385663203.db2.gz BUAUTKXCESSCMF-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO O=C1C[N@@H+](CCc2cccnc2)CCN1C1CC1 ZINC000337445247 385663206 /nfs/dbraw/zinc/66/32/06/385663206.db2.gz BUAUTKXCESSCMF-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(N)=O)c1ccco1 ZINC000184522968 385671686 /nfs/dbraw/zinc/67/16/86/385671686.db2.gz XOJQILPZLQYCPG-HTQZYQBOSA-N 1 2 212.249 0.431 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccco1 ZINC000184533213 385674523 /nfs/dbraw/zinc/67/45/23/385674523.db2.gz ZWNCPKNPKHAGQG-RKDXNWHRSA-N 1 2 224.260 0.445 20 0 BCADLO Cc1noc(C[NH+]2CCC(O)(C(F)F)CC2)n1 ZINC000408209499 385676275 /nfs/dbraw/zinc/67/62/75/385676275.db2.gz TXDJDJOAXVUEJW-UHFFFAOYSA-N 1 2 247.245 0.970 20 0 BCADLO CCN1CC[N@H+](CCOCC2CC2)[C@@H](C)C1=O ZINC000495262323 385678913 /nfs/dbraw/zinc/67/89/13/385678913.db2.gz PBAAHTKQPITSBU-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[N@@H+](CCOCC2CC2)[C@@H](C)C1=O ZINC000495262323 385678918 /nfs/dbraw/zinc/67/89/18/385678918.db2.gz PBAAHTKQPITSBU-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnc(N)s1 ZINC000086766234 385684338 /nfs/dbraw/zinc/68/43/38/385684338.db2.gz HEHKOLKVPWNEKO-QMMMGPOBSA-N 1 2 240.332 0.436 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnc(N)s1 ZINC000086766234 385684343 /nfs/dbraw/zinc/68/43/43/385684343.db2.gz HEHKOLKVPWNEKO-QMMMGPOBSA-N 1 2 240.332 0.436 20 0 BCADLO CC[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451828745 385686455 /nfs/dbraw/zinc/68/64/55/385686455.db2.gz HWYOYTPEFLZRGM-YUMQZZPRSA-N 1 2 211.252 0.705 20 0 BCADLO CC[C@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451828745 385686459 /nfs/dbraw/zinc/68/64/59/385686459.db2.gz HWYOYTPEFLZRGM-YUMQZZPRSA-N 1 2 211.252 0.705 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000645221782 385688242 /nfs/dbraw/zinc/68/82/42/385688242.db2.gz GGVADDUEINCUHJ-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000645221782 385688246 /nfs/dbraw/zinc/68/82/46/385688246.db2.gz GGVADDUEINCUHJ-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)[C@H](C)CO)c[nH+]1 ZINC000270348162 385699418 /nfs/dbraw/zinc/69/94/18/385699418.db2.gz VTIRORDTWSFKAW-RNFRBKRXSA-N 1 2 211.265 0.465 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1nccn1C ZINC000337547673 385705018 /nfs/dbraw/zinc/70/50/18/385705018.db2.gz MOANEOUCCDFADU-BDAKNGLRSA-N 1 2 242.298 0.545 20 0 BCADLO Cn1cnc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000270528311 385713881 /nfs/dbraw/zinc/71/38/81/385713881.db2.gz UAPVXDPPIPWKHY-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCOC[C@@H]1C1CC1 ZINC000270543946 385716755 /nfs/dbraw/zinc/71/67/55/385716755.db2.gz HWKOFPJBYFHRSA-GFCCVEGCSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@]1(NC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000270093322 385667931 /nfs/dbraw/zinc/66/79/31/385667931.db2.gz HVTZDKVWOXBQPY-NSHDSACASA-N 1 2 223.276 0.568 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(N)=O)c1ccco1 ZINC000184522936 385671330 /nfs/dbraw/zinc/67/13/30/385671330.db2.gz XOJQILPZLQYCPG-SFYZADRCSA-N 1 2 212.249 0.431 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCNC2=O)s1 ZINC000336735934 385728512 /nfs/dbraw/zinc/72/85/12/385728512.db2.gz IJPHFKOJPOGHIR-POYBYMJQSA-N 1 2 240.332 0.776 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000270735477 385734980 /nfs/dbraw/zinc/73/49/80/385734980.db2.gz OSAMGEDHMJFJTI-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO Cc1cc[nH+]c(NC[C@@H](O)CO)c1Cl ZINC000307621444 385737950 /nfs/dbraw/zinc/73/79/50/385737950.db2.gz GGFQGZNBWPINLY-SSDOTTSWSA-N 1 2 216.668 0.809 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)CC(C)(C)C)C[NH2+]1 ZINC000365759686 385743110 /nfs/dbraw/zinc/74/31/10/385743110.db2.gz VHBFRHZXJINJTJ-DTWKUNHWSA-N 1 2 242.319 0.442 20 0 BCADLO CC[C@H]([NH2+]C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000336736442 385748105 /nfs/dbraw/zinc/74/81/05/385748105.db2.gz MQZNMZGYJVVINL-IUCAKERBSA-N 1 2 228.292 0.196 20 0 BCADLO CS(=O)(=O)C1(C[NH2+]Cc2cocn2)CCC1 ZINC000309620012 385751309 /nfs/dbraw/zinc/75/13/09/385751309.db2.gz CZDIPSCAABFNAU-UHFFFAOYSA-N 1 2 244.316 0.732 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000270837964 385751375 /nfs/dbraw/zinc/75/13/75/385751375.db2.gz UYJLWRSDSZSRDY-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000270837964 385751377 /nfs/dbraw/zinc/75/13/77/385751377.db2.gz UYJLWRSDSZSRDY-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO COC(=O)CN(CCn1cc[nH+]c1)C1CC1 ZINC000270890780 385755409 /nfs/dbraw/zinc/75/54/09/385755409.db2.gz PDVSTEBWJLSWRX-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO COCC[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000230905033 385765531 /nfs/dbraw/zinc/76/55/31/385765531.db2.gz AOFQWNPLBZZAMB-LLVKDONJSA-N 1 2 225.292 0.984 20 0 BCADLO NC(C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000353463071 385772671 /nfs/dbraw/zinc/77/26/71/385772671.db2.gz VDNMJXTUZLCJIP-MRVPVSSYSA-N 1 2 247.220 0.973 20 0 BCADLO N[C@H](C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000353463071 385772676 /nfs/dbraw/zinc/77/26/76/385772676.db2.gz VDNMJXTUZLCJIP-MRVPVSSYSA-N 1 2 247.220 0.973 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@]1(C)CCCO1 ZINC000309661298 385779725 /nfs/dbraw/zinc/77/97/25/385779725.db2.gz AYHYTAHADTZTHR-SCZZXKLOSA-N 1 2 225.296 0.257 20 0 BCADLO Cn1ccc(C[NH+]2CC3(C2)CCOC3)n1 ZINC000293995509 385781648 /nfs/dbraw/zinc/78/16/48/385781648.db2.gz LWXHMTQCWIJBLP-UHFFFAOYSA-N 1 2 207.277 0.642 20 0 BCADLO COC(=O)C(C)(C)NCc1[nH+]cc(C)n1C ZINC000309669885 385785069 /nfs/dbraw/zinc/78/50/69/385785069.db2.gz VPOPWSZYFLATKY-UHFFFAOYSA-N 1 2 225.292 0.770 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nccn1C ZINC000281959251 385718994 /nfs/dbraw/zinc/71/89/94/385718994.db2.gz GAYNLRIFUACTIN-UHFFFAOYSA-N 1 2 227.308 0.251 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nccn1C ZINC000281959251 385719000 /nfs/dbraw/zinc/71/90/00/385719000.db2.gz GAYNLRIFUACTIN-UHFFFAOYSA-N 1 2 227.308 0.251 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)NCC2(C)C)n1 ZINC000282757697 385785441 /nfs/dbraw/zinc/78/54/41/385785441.db2.gz OOBJPVMWGKNQQZ-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)NCC2(C)C)n1 ZINC000282757697 385785446 /nfs/dbraw/zinc/78/54/46/385785446.db2.gz OOBJPVMWGKNQQZ-UHFFFAOYSA-N 1 2 249.314 0.806 20 0 BCADLO CCC1(O)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000282976899 385799118 /nfs/dbraw/zinc/79/91/18/385799118.db2.gz SRDXOSSBXUWLGA-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1ccno1 ZINC000271190044 385801246 /nfs/dbraw/zinc/80/12/46/385801246.db2.gz MSQUMFKWRLNVIF-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccno1 ZINC000271190044 385801247 /nfs/dbraw/zinc/80/12/47/385801247.db2.gz MSQUMFKWRLNVIF-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO CCN(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000283061401 385807835 /nfs/dbraw/zinc/80/78/35/385807835.db2.gz UCCATCNVHYDMDT-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)C1CCC1 ZINC000283133492 385810320 /nfs/dbraw/zinc/81/03/20/385810320.db2.gz NRNAUUYNNMRYKQ-SNAWJCMRSA-N 1 2 235.287 0.796 20 0 BCADLO Cc1c[nH]nc1C[NH+]1CC2(C1)CCOC2 ZINC000294147496 385813478 /nfs/dbraw/zinc/81/34/78/385813478.db2.gz VGKSFVIVLGPDRA-UHFFFAOYSA-N 1 2 207.277 0.940 20 0 BCADLO Cc1cn[nH]c1C[NH+]1CC2(C1)CCOC2 ZINC000294147496 385813482 /nfs/dbraw/zinc/81/34/82/385813482.db2.gz VGKSFVIVLGPDRA-UHFFFAOYSA-N 1 2 207.277 0.940 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)NCC1CC1 ZINC000283300112 385815760 /nfs/dbraw/zinc/81/57/60/385815760.db2.gz XLFCCOMDFJTAEG-ONEGZZNKSA-N 1 2 248.286 0.065 20 0 BCADLO CC[C@@H](COC)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336740688 385819767 /nfs/dbraw/zinc/81/97/67/385819767.db2.gz USSIKZPMSHOJBI-IUCAKERBSA-N 1 2 212.297 0.891 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000365848540 385823996 /nfs/dbraw/zinc/82/39/96/385823996.db2.gz RBZQPTQHCAPHQR-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000365848540 385824000 /nfs/dbraw/zinc/82/40/00/385824000.db2.gz RBZQPTQHCAPHQR-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000271415887 385825333 /nfs/dbraw/zinc/82/53/33/385825333.db2.gz YLLZIYQOGRDNMN-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000271415887 385825335 /nfs/dbraw/zinc/82/53/35/385825335.db2.gz YLLZIYQOGRDNMN-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1cnc(C[N@H+](CCO)CCCO)s1 ZINC000271412291 385825369 /nfs/dbraw/zinc/82/53/69/385825369.db2.gz WKMVGJWDKDLPIO-UHFFFAOYSA-N 1 2 230.333 0.628 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)CCCO)s1 ZINC000271412291 385825377 /nfs/dbraw/zinc/82/53/77/385825377.db2.gz WKMVGJWDKDLPIO-UHFFFAOYSA-N 1 2 230.333 0.628 20 0 BCADLO Cc1ccoc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000271415891 385825963 /nfs/dbraw/zinc/82/59/63/385825963.db2.gz YLLZIYQOGRDNMN-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+](C)[C@H]1CCNC1=O ZINC000271415891 385825966 /nfs/dbraw/zinc/82/59/66/385825966.db2.gz YLLZIYQOGRDNMN-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](O)C(C)C)CC2 ZINC000365888394 385829932 /nfs/dbraw/zinc/82/99/32/385829932.db2.gz BDYHJRCTAJWETE-NSHDSACASA-N 1 2 237.303 0.551 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000052709589 385830422 /nfs/dbraw/zinc/83/04/22/385830422.db2.gz LAEMOTTVAPMTIV-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)CO ZINC000283744680 385831007 /nfs/dbraw/zinc/83/10/07/385831007.db2.gz JDAPTDHQQPGNMZ-UWVGGRQHSA-N 1 2 240.307 0.294 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](NC(N)=O)C2)s1 ZINC000271501913 385834025 /nfs/dbraw/zinc/83/40/25/385834025.db2.gz JEZLPHGCUXKIDD-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](NC(N)=O)C2)s1 ZINC000271501913 385834028 /nfs/dbraw/zinc/83/40/28/385834028.db2.gz JEZLPHGCUXKIDD-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000271540636 385836452 /nfs/dbraw/zinc/83/64/52/385836452.db2.gz JYDBEQSHYQNIBP-UHFFFAOYSA-N 1 2 222.292 0.246 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000271540636 385836455 /nfs/dbraw/zinc/83/64/55/385836455.db2.gz JYDBEQSHYQNIBP-UHFFFAOYSA-N 1 2 222.292 0.246 20 0 BCADLO C[C@H](O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335699926 385839805 /nfs/dbraw/zinc/83/98/05/385839805.db2.gz LYUIEKNKHUNHJH-VIFPVBQESA-N 1 2 237.303 0.559 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCCC1 ZINC000283932697 385840891 /nfs/dbraw/zinc/84/08/91/385840891.db2.gz KKZUIZXZNQCEHL-ONEGZZNKSA-N 1 2 235.287 0.844 20 0 BCADLO CCOCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000308318896 385858456 /nfs/dbraw/zinc/85/84/56/385858456.db2.gz YYRXWGSCWQMKOM-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO CCOCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000308318896 385858458 /nfs/dbraw/zinc/85/84/58/385858458.db2.gz YYRXWGSCWQMKOM-NOZJJQNGSA-N 1 2 205.323 0.476 20 0 BCADLO Cc1ccc2[nH+]c([C@H]3NC(=O)CN3C)cn2c1 ZINC000284020170 385845194 /nfs/dbraw/zinc/84/51/94/385845194.db2.gz QNQYWDKRQZUPAK-LBPRGKRZSA-N 1 2 230.271 0.703 20 0 BCADLO COCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865052 533146679 /nfs/dbraw/zinc/14/66/79/533146679.db2.gz OAHRSCPZRRYKQL-IHWYPQMZSA-N 1 2 211.221 0.117 20 0 BCADLO CC[C@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294478270 385855097 /nfs/dbraw/zinc/85/50/97/385855097.db2.gz RKUOMURSLOSNCH-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294478270 385855103 /nfs/dbraw/zinc/85/51/03/385855103.db2.gz RKUOMURSLOSNCH-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2cc[nH]n2)no1 ZINC000271153068 385792689 /nfs/dbraw/zinc/79/26/89/385792689.db2.gz GHZAPOKJDKKAIJ-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2cc[nH]n2)no1 ZINC000271153068 385792692 /nfs/dbraw/zinc/79/26/92/385792692.db2.gz GHZAPOKJDKKAIJ-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO COC[C@H]1C[N@H+](Cc2c(C)n[nH]c2C)CCO1 ZINC000271153846 385794668 /nfs/dbraw/zinc/79/46/68/385794668.db2.gz APMFLWUYRJKTLC-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CCO1 ZINC000271153846 385794673 /nfs/dbraw/zinc/79/46/73/385794673.db2.gz APMFLWUYRJKTLC-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO O=C1C[N@H+](Cc2ccc(CO)cc2)CCN1 ZINC000272277008 385890552 /nfs/dbraw/zinc/89/05/52/385890552.db2.gz DZROWRVTTGWVMA-UHFFFAOYSA-N 1 2 220.272 0.111 20 0 BCADLO O=C1C[N@@H+](Cc2ccc(CO)cc2)CCN1 ZINC000272277008 385890554 /nfs/dbraw/zinc/89/05/54/385890554.db2.gz DZROWRVTTGWVMA-UHFFFAOYSA-N 1 2 220.272 0.111 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CC1CCC1 ZINC000272334724 385893695 /nfs/dbraw/zinc/89/36/95/385893695.db2.gz GAHWFNOAFORTPX-UHFFFAOYSA-N 1 2 243.332 0.640 20 0 BCADLO CCCCNc1[nH+]cnc2c1OCCN2 ZINC000647844614 385894534 /nfs/dbraw/zinc/89/45/34/385894534.db2.gz NPOKEKSSSBZYCU-UHFFFAOYSA-N 1 2 208.265 0.605 20 0 BCADLO CCCCNc1nc[nH+]c2c1OCCN2 ZINC000647844614 385894538 /nfs/dbraw/zinc/89/45/38/385894538.db2.gz NPOKEKSSSBZYCU-UHFFFAOYSA-N 1 2 208.265 0.605 20 0 BCADLO Cc1nc(N[C@H](C)CCCO)nc(N)[nH+]1 ZINC000308869700 385902052 /nfs/dbraw/zinc/90/20/52/385902052.db2.gz MGTHGSAEMVQAMV-ZCFIWIBFSA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)CCCO)[nH+]1 ZINC000308869700 385902054 /nfs/dbraw/zinc/90/20/54/385902054.db2.gz MGTHGSAEMVQAMV-ZCFIWIBFSA-N 1 2 211.269 0.335 20 0 BCADLO CC(C)c1[nH+]ccn1Cc1nc(=O)[nH][nH]1 ZINC000272531307 385910163 /nfs/dbraw/zinc/91/01/63/385910163.db2.gz YZJLGSOVWUJSAC-UHFFFAOYSA-N 1 2 207.237 0.466 20 0 BCADLO CC/C=C/CC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000285345476 385917284 /nfs/dbraw/zinc/91/72/84/385917284.db2.gz ZPCJJPIIFGIYCG-ZJRFNNFUSA-N 1 2 226.320 0.917 20 0 BCADLO CC/C=C/CC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000285345476 385917290 /nfs/dbraw/zinc/91/72/90/385917290.db2.gz ZPCJJPIIFGIYCG-ZJRFNNFUSA-N 1 2 226.320 0.917 20 0 BCADLO C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1c[nH+]cn1C ZINC000338224764 385918429 /nfs/dbraw/zinc/91/84/29/385918429.db2.gz KTAFZGDDMZJSGE-KPCOEVGBSA-N 1 2 228.317 0.846 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123875897 385919702 /nfs/dbraw/zinc/91/97/02/385919702.db2.gz GFHPIZVNUJTILI-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123875897 385919707 /nfs/dbraw/zinc/91/97/07/385919707.db2.gz GFHPIZVNUJTILI-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO CCS(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000335032877 385920538 /nfs/dbraw/zinc/92/05/38/385920538.db2.gz QFNCPBCNZWLWKB-SSDOTTSWSA-N 1 2 242.291 0.171 20 0 BCADLO CCc1cc(N[C@H](CC)C(N)=O)nc[nH+]1 ZINC000308966494 385922962 /nfs/dbraw/zinc/92/29/62/385922962.db2.gz WDNWAQZREJWOGK-MRVPVSSYSA-N 1 2 208.265 0.715 20 0 BCADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000189089397 385924979 /nfs/dbraw/zinc/92/49/79/385924979.db2.gz AEEMGLHQCCXMFF-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO CO[C@H]1CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000189089397 385924987 /nfs/dbraw/zinc/92/49/87/385924987.db2.gz AEEMGLHQCCXMFF-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO CC[C@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000271896701 385859740 /nfs/dbraw/zinc/85/97/40/385859740.db2.gz YKCJMNMLKVXQHJ-MRVPVSSYSA-N 1 2 248.290 0.427 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644839219 385860924 /nfs/dbraw/zinc/86/09/24/385860924.db2.gz WYCWXFVGSSQWDI-NWDGAFQWSA-N 1 2 221.304 0.956 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644839219 385860928 /nfs/dbraw/zinc/86/09/28/385860928.db2.gz WYCWXFVGSSQWDI-NWDGAFQWSA-N 1 2 221.304 0.956 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1C ZINC000340190590 385861794 /nfs/dbraw/zinc/86/17/94/385861794.db2.gz BPIUCSIAZLQRDN-UHFFFAOYSA-N 1 2 247.302 0.734 20 0 BCADLO C[N@H+](CCc1cscn1)CCS(C)(=O)=O ZINC000284316293 385862300 /nfs/dbraw/zinc/86/23/00/385862300.db2.gz PLZBQEIATIPGDT-UHFFFAOYSA-N 1 2 248.373 0.662 20 0 BCADLO C[N@@H+](CCc1cscn1)CCS(C)(=O)=O ZINC000284316293 385862304 /nfs/dbraw/zinc/86/23/04/385862304.db2.gz PLZBQEIATIPGDT-UHFFFAOYSA-N 1 2 248.373 0.662 20 0 BCADLO C[C@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284457274 385871781 /nfs/dbraw/zinc/87/17/81/385871781.db2.gz RQWAFLIBIKYXOE-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO CCC[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284532073 385876019 /nfs/dbraw/zinc/87/60/19/385876019.db2.gz WTQDZZKLJCSGAZ-ORAHPGNNSA-N 1 2 223.276 0.700 20 0 BCADLO CC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636886917 385880015 /nfs/dbraw/zinc/88/00/15/385880015.db2.gz PBSIPFAFYPUDFP-SECBINFHSA-N 1 2 234.303 0.907 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCn1cccn1 ZINC000338044700 385881045 /nfs/dbraw/zinc/88/10/45/385881045.db2.gz FCQCMSULZWLTHI-UHFFFAOYSA-N 1 2 233.275 0.286 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2nc(C)c(C)[nH]2)C1 ZINC000496312146 385881137 /nfs/dbraw/zinc/88/11/37/385881137.db2.gz PTYZTAVOLBRIKI-UHFFFAOYSA-N 1 2 238.291 0.567 20 0 BCADLO COC(=O)N1CC(NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000496312146 385881139 /nfs/dbraw/zinc/88/11/39/385881139.db2.gz PTYZTAVOLBRIKI-UHFFFAOYSA-N 1 2 238.291 0.567 20 0 BCADLO CO[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000294684429 385881995 /nfs/dbraw/zinc/88/19/95/385881995.db2.gz UEOCPHXYGKNCMH-JTQLQIEISA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000338354496 385976875 /nfs/dbraw/zinc/97/68/75/385976875.db2.gz GJOWDFJQOQODFH-KXUCPTDWSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000338354496 385976878 /nfs/dbraw/zinc/97/68/78/385976878.db2.gz GJOWDFJQOQODFH-KXUCPTDWSA-N 1 2 233.283 0.997 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000295140690 385979047 /nfs/dbraw/zinc/97/90/47/385979047.db2.gz KXBCNSGAKIFIKO-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295140690 385979052 /nfs/dbraw/zinc/97/90/52/385979052.db2.gz KXBCNSGAKIFIKO-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338366456 385981082 /nfs/dbraw/zinc/98/10/82/385981082.db2.gz KUSLKORLYSBVJU-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)C[C@H](C)O1 ZINC000111694568 385981233 /nfs/dbraw/zinc/98/12/33/385981233.db2.gz JTSYCTVPUSQBDP-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)C[C@H](C)O1 ZINC000111694568 385981242 /nfs/dbraw/zinc/98/12/42/385981242.db2.gz JTSYCTVPUSQBDP-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CCC2)n1C ZINC000221207024 385982590 /nfs/dbraw/zinc/98/25/90/385982590.db2.gz KKLCQYYLNGCUCG-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CCC2)n1C ZINC000221207024 385982592 /nfs/dbraw/zinc/98/25/92/385982592.db2.gz KKLCQYYLNGCUCG-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000338374670 385984379 /nfs/dbraw/zinc/98/43/79/385984379.db2.gz ZHGFKDUNCNHMLA-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000338374670 385984387 /nfs/dbraw/zinc/98/43/87/385984387.db2.gz ZHGFKDUNCNHMLA-TXEJJXNPSA-N 1 2 220.272 0.681 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373524 385984928 /nfs/dbraw/zinc/98/49/28/385984928.db2.gz ULQRHXJWVSTMIW-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338373524 385984937 /nfs/dbraw/zinc/98/49/37/385984937.db2.gz ULQRHXJWVSTMIW-PHIMTYICSA-N 1 2 223.276 0.020 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338364321 385987505 /nfs/dbraw/zinc/98/75/05/385987505.db2.gz ADVYIYJAPMFVTB-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338364321 385987508 /nfs/dbraw/zinc/98/75/08/385987508.db2.gz ADVYIYJAPMFVTB-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1C ZINC000189363915 385987544 /nfs/dbraw/zinc/98/75/44/385987544.db2.gz YFXWPRARBOPWQV-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1C ZINC000189363915 385987549 /nfs/dbraw/zinc/98/75/49/385987549.db2.gz YFXWPRARBOPWQV-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2nnnn2C)[C@H]1C ZINC000345084891 385991521 /nfs/dbraw/zinc/99/15/21/385991521.db2.gz LBUFBTJOTIPWHR-JGVFFNPUSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2nnnn2C)[C@H]1C ZINC000345084891 385991526 /nfs/dbraw/zinc/99/15/26/385991526.db2.gz LBUFBTJOTIPWHR-JGVFFNPUSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338279199 385934167 /nfs/dbraw/zinc/93/41/67/385934167.db2.gz JBOBTIBJWIFKOD-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338279199 385934170 /nfs/dbraw/zinc/93/41/70/385934170.db2.gz JBOBTIBJWIFKOD-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO CO[C@]1(C)C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331778659 385935827 /nfs/dbraw/zinc/93/58/27/385935827.db2.gz NGMBYEGDNQKARD-WRWORJQWSA-N 1 2 240.307 0.804 20 0 BCADLO CC[N@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425396921 385946037 /nfs/dbraw/zinc/94/60/37/385946037.db2.gz QKKNDVFFKXUONL-UHFFFAOYSA-N 1 2 221.207 0.821 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425396921 385946040 /nfs/dbraw/zinc/94/60/40/385946040.db2.gz QKKNDVFFKXUONL-UHFFFAOYSA-N 1 2 221.207 0.821 20 0 BCADLO O=C(C1CC1)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000338283841 385950400 /nfs/dbraw/zinc/95/04/00/385950400.db2.gz NXMCHLYXTJVPCW-JTQLQIEISA-N 1 2 235.287 0.590 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297285 385956604 /nfs/dbraw/zinc/95/66/04/385956604.db2.gz VXGIWJRTEAOOCO-ONGXEEELSA-N 1 2 227.304 0.701 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297285 385956611 /nfs/dbraw/zinc/95/66/11/385956611.db2.gz VXGIWJRTEAOOCO-ONGXEEELSA-N 1 2 227.304 0.701 20 0 BCADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295103038 385968238 /nfs/dbraw/zinc/96/82/38/385968238.db2.gz VFGQVPZTXUZEBB-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295103038 385968247 /nfs/dbraw/zinc/96/82/47/385968247.db2.gz VFGQVPZTXUZEBB-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@@H](OC)C1CC1 ZINC000425406167 385970763 /nfs/dbraw/zinc/97/07/63/385970763.db2.gz OVRZODOCRBYQCE-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@@H](OC)C1CC1 ZINC000425406167 385970765 /nfs/dbraw/zinc/97/07/65/385970765.db2.gz OVRZODOCRBYQCE-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO Cc1ncc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000335016537 385973884 /nfs/dbraw/zinc/97/38/84/385973884.db2.gz BIUPQGWAEVTHAC-IUCAKERBSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]1 ZINC000335016537 385973887 /nfs/dbraw/zinc/97/38/87/385973887.db2.gz BIUPQGWAEVTHAC-IUCAKERBSA-N 1 2 236.319 0.883 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](CCO)C(C)C ZINC000285878759 385974807 /nfs/dbraw/zinc/97/48/07/385974807.db2.gz FMXJAZFQKPTMBJ-UHFFFAOYSA-N 1 2 242.275 0.664 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](CCO)C(C)C ZINC000285878759 385974813 /nfs/dbraw/zinc/97/48/13/385974813.db2.gz FMXJAZFQKPTMBJ-UHFFFAOYSA-N 1 2 242.275 0.664 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000345063737 386001832 /nfs/dbraw/zinc/00/18/32/386001832.db2.gz ZLQXRHHIFZDMDH-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@H](C)CS(=O)(=O)Nc1cc[nH+]cc1 ZINC000295315447 386010779 /nfs/dbraw/zinc/01/07/79/386010779.db2.gz NOMOJHPJOHUWGJ-MRVPVSSYSA-N 1 2 230.289 0.858 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1COC[C@H]1O ZINC000286241214 386010940 /nfs/dbraw/zinc/01/09/40/386010940.db2.gz FIJQNESOYXOUIK-CHWSQXEVSA-N 1 2 245.282 0.826 20 0 BCADLO C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976085 386015953 /nfs/dbraw/zinc/01/59/53/386015953.db2.gz NJNYYCCDTHKHHK-JHJVBQTASA-N 1 2 240.395 0.010 20 0 BCADLO CNS(=O)(=O)[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128814357 386028658 /nfs/dbraw/zinc/02/86/58/386028658.db2.gz XTJDMQMRRNRJSJ-VIFPVBQESA-N 1 2 241.316 0.210 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000286369599 386029152 /nfs/dbraw/zinc/02/91/52/386029152.db2.gz LJXPNLWEHATDSM-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334431261 386033751 /nfs/dbraw/zinc/03/37/51/386033751.db2.gz BMAFYEQJWKVPPG-VIFPVBQESA-N 1 2 207.277 0.972 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000425460628 386104871 /nfs/dbraw/zinc/10/48/71/386104871.db2.gz SHDXVPIIFMVHTA-JTQLQIEISA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000425460628 386104872 /nfs/dbraw/zinc/10/48/72/386104872.db2.gz SHDXVPIIFMVHTA-JTQLQIEISA-N 1 2 224.308 0.672 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000076048653 386109888 /nfs/dbraw/zinc/10/98/88/386109888.db2.gz LUDAZNLKBWWKQP-ZJUUUORDSA-N 1 2 227.308 0.026 20 0 BCADLO COC[C@@](C)([NH2+]CCCCF)C(=O)OC ZINC000336773287 386110041 /nfs/dbraw/zinc/11/00/41/386110041.db2.gz YMCHNKBRFATQDD-SNVBAGLBSA-N 1 2 221.272 0.904 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000343167678 386114117 /nfs/dbraw/zinc/11/41/17/386114117.db2.gz MSMDCYSYEPQRRE-VIFPVBQESA-N 1 2 233.275 0.733 20 0 BCADLO C[C@@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CO1 ZINC000645390988 386115643 /nfs/dbraw/zinc/11/56/43/386115643.db2.gz ZMXJVWBNQWIBHF-HTQZYQBOSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CO1 ZINC000645390988 386115646 /nfs/dbraw/zinc/11/56/46/386115646.db2.gz ZMXJVWBNQWIBHF-HTQZYQBOSA-N 1 2 236.275 0.870 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000334442508 386061550 /nfs/dbraw/zinc/06/15/50/386061550.db2.gz CJIXVIJJLVHGFU-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000334442508 386061555 /nfs/dbraw/zinc/06/15/55/386061555.db2.gz CJIXVIJJLVHGFU-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338588495 386062766 /nfs/dbraw/zinc/06/27/66/386062766.db2.gz XPOOWIGJQMNNJC-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338588495 386062768 /nfs/dbraw/zinc/06/27/68/386062768.db2.gz XPOOWIGJQMNNJC-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)CCCCO)c[nH+]1 ZINC000295635164 386063470 /nfs/dbraw/zinc/06/34/70/386063470.db2.gz COEPZJIPHFLDAL-MRVPVSSYSA-N 1 2 225.292 0.999 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1ncnn1CCF ZINC000338598496 386070217 /nfs/dbraw/zinc/07/02/17/386070217.db2.gz OCNYFFMTVXVIMZ-QMMMGPOBSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1ncnn1CCF ZINC000338598496 386070223 /nfs/dbraw/zinc/07/02/23/386070223.db2.gz OCNYFFMTVXVIMZ-QMMMGPOBSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000425431049 386070303 /nfs/dbraw/zinc/07/03/03/386070303.db2.gz GZLNWGPXYNZAGT-GXSJLCMTSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@H](O)CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000425431049 386070310 /nfs/dbraw/zinc/07/03/10/386070310.db2.gz GZLNWGPXYNZAGT-GXSJLCMTSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000425431050 386070614 /nfs/dbraw/zinc/07/06/14/386070614.db2.gz GZLNWGPXYNZAGT-KOLCDFICSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000425431050 386070620 /nfs/dbraw/zinc/07/06/20/386070620.db2.gz GZLNWGPXYNZAGT-KOLCDFICSA-N 1 2 227.304 0.437 20 0 BCADLO CC[C@](C)(O)C[N@H+](C)Cc1noc(C)n1 ZINC000162484778 386074207 /nfs/dbraw/zinc/07/42/07/386074207.db2.gz NETVLIJYTAISHR-JTQLQIEISA-N 1 2 213.281 0.971 20 0 BCADLO CC[C@](C)(O)C[N@@H+](C)Cc1noc(C)n1 ZINC000162484778 386074211 /nfs/dbraw/zinc/07/42/11/386074211.db2.gz NETVLIJYTAISHR-JTQLQIEISA-N 1 2 213.281 0.971 20 0 BCADLO COC(=O)CCCC(=O)NCc1[nH+]ccn1C ZINC000274143002 386074713 /nfs/dbraw/zinc/07/47/13/386074713.db2.gz XOFVTBVKJHUUCQ-UHFFFAOYSA-N 1 2 239.275 0.380 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@](F)(CO)C1 ZINC000338623487 386075587 /nfs/dbraw/zinc/07/55/87/386075587.db2.gz HKBWQSIUXMVWJQ-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO CON(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000274141752 386076368 /nfs/dbraw/zinc/07/63/68/386076368.db2.gz DJUDFBUBBAIVQL-UHFFFAOYSA-N 1 2 238.291 0.850 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189721085 386082557 /nfs/dbraw/zinc/08/25/57/386082557.db2.gz XIHABCDCYBTQGP-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189721085 386082564 /nfs/dbraw/zinc/08/25/64/386082564.db2.gz XIHABCDCYBTQGP-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627220 386084027 /nfs/dbraw/zinc/08/40/27/386084027.db2.gz QHBSOYVUAJYIGA-KCJUWKMLSA-N 1 2 230.283 0.060 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627220 386084032 /nfs/dbraw/zinc/08/40/32/386084032.db2.gz QHBSOYVUAJYIGA-KCJUWKMLSA-N 1 2 230.283 0.060 20 0 BCADLO COC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000234677774 386088686 /nfs/dbraw/zinc/08/86/86/386088686.db2.gz RPFJKYLUYCCUJY-SECBINFHSA-N 1 2 235.287 0.993 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccno1 ZINC000274306969 386088812 /nfs/dbraw/zinc/08/88/12/386088812.db2.gz LDFYPKMYTAJWNC-ZJUUUORDSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccno1 ZINC000274306969 386088820 /nfs/dbraw/zinc/08/88/20/386088820.db2.gz LDFYPKMYTAJWNC-ZJUUUORDSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccno1 ZINC000274306964 386089059 /nfs/dbraw/zinc/08/90/59/386089059.db2.gz LDFYPKMYTAJWNC-NXEZZACHSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccno1 ZINC000274306964 386089063 /nfs/dbraw/zinc/08/90/63/386089063.db2.gz LDFYPKMYTAJWNC-NXEZZACHSA-N 1 2 226.276 0.646 20 0 BCADLO CCO[C@@H]1C[C@]([NH2+]CCO)(C(=O)OC)C1(C)C ZINC000189820524 386091125 /nfs/dbraw/zinc/09/11/25/386091125.db2.gz DXZWLXXELBCLMT-SKDRFNHKSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cncnc1 ZINC000274368399 386093472 /nfs/dbraw/zinc/09/34/72/386093472.db2.gz RFSLAMSTIGKUPP-SECBINFHSA-N 1 2 246.274 0.883 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000425453462 386094225 /nfs/dbraw/zinc/09/42/25/386094225.db2.gz ZAVHRNYVJCIZCE-IUCAKERBSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](O)CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000425453462 386094231 /nfs/dbraw/zinc/09/42/31/386094231.db2.gz ZAVHRNYVJCIZCE-IUCAKERBSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)on1 ZINC000274402086 386098673 /nfs/dbraw/zinc/09/86/73/386098673.db2.gz JZXZADJWXRTDHR-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)on1 ZINC000274402086 386098676 /nfs/dbraw/zinc/09/86/76/386098676.db2.gz JZXZADJWXRTDHR-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248401005 386145546 /nfs/dbraw/zinc/14/55/46/386145546.db2.gz YPMFVPBWSBAOIK-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248401005 386145552 /nfs/dbraw/zinc/14/55/52/386145552.db2.gz YPMFVPBWSBAOIK-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]n1 ZINC000335157776 386153279 /nfs/dbraw/zinc/15/32/79/386153279.db2.gz GVRMFCHVDOESRU-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]n1 ZINC000335157776 386153282 /nfs/dbraw/zinc/15/32/82/386153282.db2.gz GVRMFCHVDOESRU-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncs2)CCN1CCO ZINC000190249310 386158793 /nfs/dbraw/zinc/15/87/93/386158793.db2.gz DCGAWVNZLBWCDN-JTQLQIEISA-N 1 2 241.360 0.642 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncs2)CCN1CCO ZINC000190249310 386158795 /nfs/dbraw/zinc/15/87/95/386158795.db2.gz DCGAWVNZLBWCDN-JTQLQIEISA-N 1 2 241.360 0.642 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000310200724 386160774 /nfs/dbraw/zinc/16/07/74/386160774.db2.gz BNHXNPZWLUSTRP-LURJTMIESA-N 1 2 238.295 0.041 20 0 BCADLO CCN(C)C(=O)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000310200724 386160778 /nfs/dbraw/zinc/16/07/78/386160778.db2.gz BNHXNPZWLUSTRP-LURJTMIESA-N 1 2 238.295 0.041 20 0 BCADLO CCN(CC)C(=O)[C@H]1COCC[N@@H+]1C ZINC000334477619 386161002 /nfs/dbraw/zinc/16/10/02/386161002.db2.gz PLWZOBYNGLEDLS-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN(CC)C(=O)[C@H]1COCC[N@H+]1C ZINC000334477619 386161003 /nfs/dbraw/zinc/16/10/03/386161003.db2.gz PLWZOBYNGLEDLS-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO O=C(C[NH2+]Cc1ncc[nH]1)NCC1CC1 ZINC000336722518 386161826 /nfs/dbraw/zinc/16/18/26/386161826.db2.gz FFFUFKXERQWLGH-UHFFFAOYSA-N 1 2 208.265 0.026 20 0 BCADLO Cc1nc(N2CC[C@H](O)C(C)(C)C2)nc(N)[nH+]1 ZINC000310292500 386170665 /nfs/dbraw/zinc/17/06/65/386170665.db2.gz ZNJBBADVBWOCER-QMMMGPOBSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](O)C(C)(C)C2)[nH+]1 ZINC000310292500 386170668 /nfs/dbraw/zinc/17/06/68/386170668.db2.gz ZNJBBADVBWOCER-QMMMGPOBSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)C[C@H]2C(C)C)n[nH]1 ZINC000425483560 386173410 /nfs/dbraw/zinc/17/34/10/386173410.db2.gz RHXHIUCGKUWMPH-NSHDSACASA-N 1 2 237.351 0.885 20 0 BCADLO CO[C@H](Cc1ccccc1)C[N@@H+]1CCNC(=O)C1 ZINC000296554497 386182186 /nfs/dbraw/zinc/18/21/86/386182186.db2.gz PAZXTFPNDHURHT-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO CO[C@H](Cc1ccccc1)C[N@H+]1CCNC(=O)C1 ZINC000296554497 386182189 /nfs/dbraw/zinc/18/21/89/386182189.db2.gz PAZXTFPNDHURHT-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO CSc1nc(NC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC000263849437 386182273 /nfs/dbraw/zinc/18/22/73/386182273.db2.gz BXSXEKUOWYBNKW-UHFFFAOYSA-N 1 2 243.336 0.805 20 0 BCADLO CSc1nc(NC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC000263849437 386182281 /nfs/dbraw/zinc/18/22/81/386182281.db2.gz BXSXEKUOWYBNKW-UHFFFAOYSA-N 1 2 243.336 0.805 20 0 BCADLO CSc1n[nH]c(NC(=O)C[N@H+](C)C(C)C)n1 ZINC000263849437 386182285 /nfs/dbraw/zinc/18/22/85/386182285.db2.gz BXSXEKUOWYBNKW-UHFFFAOYSA-N 1 2 243.336 0.805 20 0 BCADLO CSc1n[nH]c(NC(=O)C[N@@H+](C)C(C)C)n1 ZINC000263849437 386182294 /nfs/dbraw/zinc/18/22/94/386182294.db2.gz BXSXEKUOWYBNKW-UHFFFAOYSA-N 1 2 243.336 0.805 20 0 BCADLO C[N@H+](CCO)Cc1cn(-c2ccccc2)nn1 ZINC000338931050 386182360 /nfs/dbraw/zinc/18/23/60/386182360.db2.gz YPAXHWNMZPPTJH-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO C[N@@H+](CCO)Cc1cn(-c2ccccc2)nn1 ZINC000338931050 386182372 /nfs/dbraw/zinc/18/23/72/386182372.db2.gz YPAXHWNMZPPTJH-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO Cc1ccc2[nH+]c(CN(C)CC(N)=O)cn2c1 ZINC000338933969 386182689 /nfs/dbraw/zinc/18/26/89/386182689.db2.gz BPYGBRFEICVSRF-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO CO[C@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263878137 386185785 /nfs/dbraw/zinc/18/57/85/386185785.db2.gz WEAOIOJMHRAKEY-SECBINFHSA-N 1 2 237.303 0.871 20 0 BCADLO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)OC)C1(C)C ZINC000189971431 386127091 /nfs/dbraw/zinc/12/70/91/386127091.db2.gz WCCSZAQXMKVXKZ-JOYOIKCWSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@@H](CNC(=O)c1ccncn1)Cn1cc[nH+]c1 ZINC000275161794 386189162 /nfs/dbraw/zinc/18/91/62/386189162.db2.gz QLLJRWORJRJEEX-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340281705 386200735 /nfs/dbraw/zinc/20/07/35/386200735.db2.gz XAPCQZYQWBNYOH-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340281705 386200742 /nfs/dbraw/zinc/20/07/42/386200742.db2.gz XAPCQZYQWBNYOH-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340281705 386200748 /nfs/dbraw/zinc/20/07/48/386200748.db2.gz XAPCQZYQWBNYOH-QMMMGPOBSA-N 1 2 210.281 0.398 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989575 386210929 /nfs/dbraw/zinc/21/09/29/386210929.db2.gz FKRQZEYHVLNNHR-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989575 386210934 /nfs/dbraw/zinc/21/09/34/386210934.db2.gz FKRQZEYHVLNNHR-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO COCC[N@H+](CCOC1CCC1)CC(=O)OC ZINC000347064491 386211582 /nfs/dbraw/zinc/21/15/82/386211582.db2.gz YYEJMWSACACZIF-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO COCC[N@@H+](CCOC1CCC1)CC(=O)OC ZINC000347064491 386211587 /nfs/dbraw/zinc/21/15/87/386211587.db2.gz YYEJMWSACACZIF-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)CCn1cccn1 ZINC000347026924 386220585 /nfs/dbraw/zinc/22/05/85/386220585.db2.gz CTXVOMPVPHJUHA-SNVBAGLBSA-N 1 2 234.307 0.705 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)CCn1cccn1 ZINC000347026924 386220589 /nfs/dbraw/zinc/22/05/89/386220589.db2.gz CTXVOMPVPHJUHA-SNVBAGLBSA-N 1 2 234.307 0.705 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)CC[C@H]1C ZINC000347038125 386225476 /nfs/dbraw/zinc/22/54/76/386225476.db2.gz IDWYVSQMCCCISD-OPRDCNLKSA-N 1 2 239.323 0.628 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)CC[C@H]1C ZINC000347038125 386225481 /nfs/dbraw/zinc/22/54/81/386225481.db2.gz IDWYVSQMCCCISD-OPRDCNLKSA-N 1 2 239.323 0.628 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC(C(C)(C)O)C1 ZINC000275660138 386226750 /nfs/dbraw/zinc/22/67/50/386226750.db2.gz YNMNXOJQCWTIHD-UHFFFAOYSA-N 1 2 247.302 0.570 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CC[C@@H]1C ZINC000347038121 386227204 /nfs/dbraw/zinc/22/72/04/386227204.db2.gz IDWYVSQMCCCISD-LPEHRKFASA-N 1 2 239.323 0.628 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)CC[C@@H]1C ZINC000347038121 386227207 /nfs/dbraw/zinc/22/72/07/386227207.db2.gz IDWYVSQMCCCISD-LPEHRKFASA-N 1 2 239.323 0.628 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)CC[C@H](C)O ZINC000347041840 386228738 /nfs/dbraw/zinc/22/87/38/386228738.db2.gz BOZAEPOPFVKWHO-DTWKUNHWSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)CC[C@H](C)O ZINC000347041840 386228743 /nfs/dbraw/zinc/22/87/43/386228743.db2.gz BOZAEPOPFVKWHO-DTWKUNHWSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cncn1C ZINC000289079665 386260483 /nfs/dbraw/zinc/26/04/83/386260483.db2.gz DDECYORVUYXYKF-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCC[C@H](OC)C2)C1=O ZINC000647969845 386242612 /nfs/dbraw/zinc/24/26/12/386242612.db2.gz UXNZRDMSBUUZOV-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCC[C@H](OC)C2)C1=O ZINC000647969845 386242615 /nfs/dbraw/zinc/24/26/15/386242615.db2.gz UXNZRDMSBUUZOV-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)n1 ZINC000347102353 386250677 /nfs/dbraw/zinc/25/06/77/386250677.db2.gz KJTUBFKAAMIGLE-JQWIXIFHSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C(N)=O)C2)n1 ZINC000347102353 386250680 /nfs/dbraw/zinc/25/06/80/386250680.db2.gz KJTUBFKAAMIGLE-JQWIXIFHSA-N 1 2 249.314 0.465 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCCSCC1 ZINC000647969892 386251126 /nfs/dbraw/zinc/25/11/26/386251126.db2.gz WZLHLXAEZRCDHK-UHFFFAOYSA-N 1 2 212.322 0.786 20 0 BCADLO COc1ccc(CNc2nc(C)[nH+]c(N)n2)cn1 ZINC000310722488 386251324 /nfs/dbraw/zinc/25/13/24/386251324.db2.gz JCANHFXUIFIQAM-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO COc1ccc(CNc2nc(N)nc(C)[nH+]2)cn1 ZINC000310722488 386251330 /nfs/dbraw/zinc/25/13/30/386251330.db2.gz JCANHFXUIFIQAM-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO CC/C=C/CNC(=O)NCC[NH+]1CCOCC1 ZINC000297454815 386256228 /nfs/dbraw/zinc/25/62/28/386256228.db2.gz MJVFRYCXAAXBPL-ONEGZZNKSA-N 1 2 241.335 0.584 20 0 BCADLO C[N@H+](CCn1cncn1)CC(=O)OC(C)(C)C ZINC000263991236 386199501 /nfs/dbraw/zinc/19/95/01/386199501.db2.gz CUYFJUBIZYVKTA-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO C[N@@H+](CCn1cncn1)CC(=O)OC(C)(C)C ZINC000263991236 386199506 /nfs/dbraw/zinc/19/95/06/386199506.db2.gz CUYFJUBIZYVKTA-UHFFFAOYSA-N 1 2 240.307 0.552 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCSC1)[C@@H](C)O ZINC000191021608 386199827 /nfs/dbraw/zinc/19/98/27/386199827.db2.gz QIFYZXBEMVPFKI-BWZBUEFSSA-N 1 2 219.306 0.004 20 0 BCADLO COC(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264902850 386282866 /nfs/dbraw/zinc/28/28/66/386282866.db2.gz XLZCXVQUELLDJR-YFKPBYRVSA-N 1 2 211.221 0.009 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2noc(C)n2)[C@H]1C ZINC000347202102 386282976 /nfs/dbraw/zinc/28/29/76/386282976.db2.gz KAMPNUXXKWDEPH-IONNQARKSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2noc(C)n2)[C@H]1C ZINC000347202102 386282981 /nfs/dbraw/zinc/28/29/81/386282981.db2.gz KAMPNUXXKWDEPH-IONNQARKSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cnn(C)n1 ZINC000289353727 386288287 /nfs/dbraw/zinc/28/82/87/386288287.db2.gz LOMAMGGXWLQCMJ-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1cnn(C)n1 ZINC000289353727 386288292 /nfs/dbraw/zinc/28/82/92/386288292.db2.gz LOMAMGGXWLQCMJ-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000248356984 386291280 /nfs/dbraw/zinc/29/12/80/386291280.db2.gz OZDYZXBGKFIGCJ-KWQFWETISA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000248356984 386291281 /nfs/dbraw/zinc/29/12/81/386291281.db2.gz OZDYZXBGKFIGCJ-KWQFWETISA-N 1 2 241.291 0.734 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000425514359 386291401 /nfs/dbraw/zinc/29/14/01/386291401.db2.gz QEBWJCRGPGGAJZ-JTQLQIEISA-N 1 2 214.309 0.515 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000425514359 386291403 /nfs/dbraw/zinc/29/14/03/386291403.db2.gz QEBWJCRGPGGAJZ-JTQLQIEISA-N 1 2 214.309 0.515 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)nc1 ZINC000336666932 386293358 /nfs/dbraw/zinc/29/33/58/386293358.db2.gz LURHBCHQPRWICY-WDEREUQCSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)nc1 ZINC000336666932 386293359 /nfs/dbraw/zinc/29/33/59/386293359.db2.gz LURHBCHQPRWICY-WDEREUQCSA-N 1 2 221.304 0.988 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCSC[C@H]1CCO ZINC000336666373 386294113 /nfs/dbraw/zinc/29/41/13/386294113.db2.gz GDNVYGSRNIHMIO-SNVBAGLBSA-N 1 2 241.360 0.720 20 0 BCADLO Cn1ccnc1C[N@H+]1CCSC[C@H]1CCO ZINC000336666373 386294115 /nfs/dbraw/zinc/29/41/15/386294115.db2.gz GDNVYGSRNIHMIO-SNVBAGLBSA-N 1 2 241.360 0.720 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000336660687 386300112 /nfs/dbraw/zinc/30/01/12/386300112.db2.gz AZDJXYWDXAZCNR-QWRGUYRKSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000336660687 386300116 /nfs/dbraw/zinc/30/01/16/386300116.db2.gz AZDJXYWDXAZCNR-QWRGUYRKSA-N 1 2 249.376 0.778 20 0 BCADLO Cc1nc(C[N@@H+](C)CCc2ccnn2C)no1 ZINC000276312877 386300275 /nfs/dbraw/zinc/30/02/75/386300275.db2.gz MRTZRWJIBOWPRG-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1nc(C[N@H+](C)CCc2ccnn2C)no1 ZINC000276312877 386300285 /nfs/dbraw/zinc/30/02/85/386300285.db2.gz MRTZRWJIBOWPRG-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO CN(Cc1csnn1)Cc1[nH+]ccn1C ZINC000336671667 386302392 /nfs/dbraw/zinc/30/23/92/386302392.db2.gz GCHDJELKPUDSQH-UHFFFAOYSA-N 1 2 223.305 0.904 20 0 BCADLO Cn1cc(C[N@H+](C)CCn2cccn2)nn1 ZINC000336671518 386303396 /nfs/dbraw/zinc/30/33/96/386303396.db2.gz ZFFIXPYFJQUOBV-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1cc(C[N@@H+](C)CCn2cccn2)nn1 ZINC000336671518 386303401 /nfs/dbraw/zinc/30/34/01/386303401.db2.gz ZFFIXPYFJQUOBV-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@](=O)CC)[C@H](C)C1 ZINC000451680669 386306607 /nfs/dbraw/zinc/30/66/07/386306607.db2.gz TWROQXZYFFTASO-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@](=O)CC)[C@H](C)C1 ZINC000451680669 386306614 /nfs/dbraw/zinc/30/66/14/386306614.db2.gz TWROQXZYFFTASO-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(F)cn1 ZINC000276356635 386307256 /nfs/dbraw/zinc/30/72/56/386307256.db2.gz LLXZCZKVQJSECU-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276356635 386307262 /nfs/dbraw/zinc/30/72/62/386307262.db2.gz LLXZCZKVQJSECU-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCC(=O)OC)C1 ZINC000425519613 386309194 /nfs/dbraw/zinc/30/91/94/386309194.db2.gz OZLLQFZVAZPANF-UHFFFAOYSA-N 1 2 228.292 0.451 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCC(=O)OC)C1 ZINC000425519613 386309198 /nfs/dbraw/zinc/30/91/98/386309198.db2.gz OZLLQFZVAZPANF-UHFFFAOYSA-N 1 2 228.292 0.451 20 0 BCADLO C[C@@H](O)CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298242541 386312551 /nfs/dbraw/zinc/31/25/51/386312551.db2.gz MAHNPBCISRRJOY-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298242541 386312559 /nfs/dbraw/zinc/31/25/59/386312559.db2.gz MAHNPBCISRRJOY-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276380599 386314957 /nfs/dbraw/zinc/31/49/57/386314957.db2.gz PYGUQCKAMQFGCZ-BDAKNGLRSA-N 1 2 223.276 0.497 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2ncnn2C)[C@H](C)C1 ZINC000336670738 386315590 /nfs/dbraw/zinc/31/55/90/386315590.db2.gz WILKKAGHXQYOKD-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2C)[C@H](C)C1 ZINC000336670738 386315593 /nfs/dbraw/zinc/31/55/93/386315593.db2.gz WILKKAGHXQYOKD-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1[nH]nc(C(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC000265213000 386319077 /nfs/dbraw/zinc/31/90/77/386319077.db2.gz LQXICSJZFMECRK-UHFFFAOYSA-N 1 2 248.330 0.947 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2CCCNC2=O)c1Cl ZINC000236393814 386261814 /nfs/dbraw/zinc/26/18/14/386261814.db2.gz CUHDOJNBFLUCFX-YFKPBYRVSA-N 1 2 241.682 0.403 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2CCCNC2=O)c1Cl ZINC000236393814 386261818 /nfs/dbraw/zinc/26/18/18/386261818.db2.gz CUHDOJNBFLUCFX-YFKPBYRVSA-N 1 2 241.682 0.403 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000347160951 386262897 /nfs/dbraw/zinc/26/28/97/386262897.db2.gz IOXNGKQHMJGEKI-MNOVXSKESA-N 1 2 238.287 0.282 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000347160951 386262899 /nfs/dbraw/zinc/26/28/99/386262899.db2.gz IOXNGKQHMJGEKI-MNOVXSKESA-N 1 2 238.287 0.282 20 0 BCADLO Cc1ncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000264702178 386263161 /nfs/dbraw/zinc/26/31/61/386263161.db2.gz BYPNCWKUMRYDRZ-QMMMGPOBSA-N 1 2 233.275 0.733 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000289152659 386266338 /nfs/dbraw/zinc/26/63/38/386266338.db2.gz QJXSMJBNIYXKRJ-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000289152659 386266344 /nfs/dbraw/zinc/26/63/44/386266344.db2.gz QJXSMJBNIYXKRJ-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO Cn1ncnc1C[N@H+](CCO)CC1CC1 ZINC000336652911 386270305 /nfs/dbraw/zinc/27/03/05/386270305.db2.gz XFKRCGMRZPZMPA-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO Cn1ncnc1C[N@@H+](CCO)CC1CC1 ZINC000336652911 386270311 /nfs/dbraw/zinc/27/03/11/386270311.db2.gz XFKRCGMRZPZMPA-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000425506663 386271976 /nfs/dbraw/zinc/27/19/76/386271976.db2.gz CWUBDSZDQCAWFY-SNVBAGLBSA-N 1 2 214.309 0.659 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000425506663 386271983 /nfs/dbraw/zinc/27/19/83/386271983.db2.gz CWUBDSZDQCAWFY-SNVBAGLBSA-N 1 2 214.309 0.659 20 0 BCADLO C[C@@H]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000416314281 386272928 /nfs/dbraw/zinc/27/29/28/386272928.db2.gz AVGLMGHNNMXWIT-WYUUTHIRSA-N 1 2 240.347 0.820 20 0 BCADLO C[C@@H]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000416314281 386272935 /nfs/dbraw/zinc/27/29/35/386272935.db2.gz AVGLMGHNNMXWIT-WYUUTHIRSA-N 1 2 240.347 0.820 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1cn(C(C)(C)C)nn1 ZINC000289224605 386274220 /nfs/dbraw/zinc/27/42/20/386274220.db2.gz CRQXZLOMTRFCFV-UHFFFAOYSA-N 1 2 239.323 0.340 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1cn(C(C)(C)C)nn1 ZINC000289224605 386274222 /nfs/dbraw/zinc/27/42/22/386274222.db2.gz CRQXZLOMTRFCFV-UHFFFAOYSA-N 1 2 239.323 0.340 20 0 BCADLO Cn1nnc(C[N@@H+]2CCSC(C)(C)CC2)n1 ZINC000336662243 386278499 /nfs/dbraw/zinc/27/84/99/386278499.db2.gz IEVGWRPAANKIJI-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO Cn1nnc(C[N@H+]2CCSC(C)(C)CC2)n1 ZINC000336662243 386278504 /nfs/dbraw/zinc/27/85/04/386278504.db2.gz IEVGWRPAANKIJI-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1OC ZINC000336661766 386278803 /nfs/dbraw/zinc/27/88/03/386278803.db2.gz AFFLBUCVURSGDU-GHMZBOCLSA-N 1 2 225.292 0.266 20 0 BCADLO C[C@@H](CO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289276082 386280090 /nfs/dbraw/zinc/28/00/90/386280090.db2.gz PPCRHANSHQDZQK-ONGXEEELSA-N 1 2 232.287 0.865 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000347346416 386340913 /nfs/dbraw/zinc/34/09/13/386340913.db2.gz HAJNRWDXMFESOZ-ZYHUDNBSSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000347346416 386340920 /nfs/dbraw/zinc/34/09/20/386340920.db2.gz HAJNRWDXMFESOZ-ZYHUDNBSSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276541016 386341237 /nfs/dbraw/zinc/34/12/37/386341237.db2.gz GGTTWZDTRGRHDE-HMDXOVGESA-N 1 2 245.286 0.824 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000298449834 386346403 /nfs/dbraw/zinc/34/64/03/386346403.db2.gz GQNQRFAKJOGJDB-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000298449834 386346409 /nfs/dbraw/zinc/34/64/09/386346409.db2.gz GQNQRFAKJOGJDB-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000347310730 386350342 /nfs/dbraw/zinc/35/03/42/386350342.db2.gz WYKXYDSZAYESHE-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000347310730 386350344 /nfs/dbraw/zinc/35/03/44/386350344.db2.gz WYKXYDSZAYESHE-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276624124 386354236 /nfs/dbraw/zinc/35/42/36/386354236.db2.gz RLICLBNADXPPCS-MPJRPATESA-N 1 2 209.249 0.310 20 0 BCADLO O=C1NCC[N@@H+](CCCCO)[C@H]1c1ccccc1 ZINC000265655971 386357603 /nfs/dbraw/zinc/35/76/03/386357603.db2.gz QBGRXHPEOOZOGD-ZDUSSCGKSA-N 1 2 248.326 0.932 20 0 BCADLO O=C1NCC[N@H+](CCCCO)[C@H]1c1ccccc1 ZINC000265655971 386357610 /nfs/dbraw/zinc/35/76/10/386357610.db2.gz QBGRXHPEOOZOGD-ZDUSSCGKSA-N 1 2 248.326 0.932 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)CCO ZINC000265691550 386360736 /nfs/dbraw/zinc/36/07/36/386360736.db2.gz FRWGERDPASSGFT-VHSXEESVSA-N 1 2 240.307 0.342 20 0 BCADLO COC(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276681056 386362501 /nfs/dbraw/zinc/36/25/01/386362501.db2.gz OWRQWBHWZRWUTJ-NSCUHMNNSA-N 1 2 223.232 0.102 20 0 BCADLO CC(C)c1ncncc1C(=O)N1CC[NH+](C)CC1 ZINC000298627690 386364627 /nfs/dbraw/zinc/36/46/27/386364627.db2.gz CTRJBDKZGWTDJW-UHFFFAOYSA-N 1 2 248.330 0.988 20 0 BCADLO C[C@H](CNC(=O)C1CCC1)[NH+]1CCN(C)CC1 ZINC000339326332 386366557 /nfs/dbraw/zinc/36/65/57/386366557.db2.gz FUODVKQDJQFCMB-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO C[C@H](CNC(=O)c1cnccn1)Cn1cc[nH+]c1 ZINC000265776981 386370829 /nfs/dbraw/zinc/37/08/29/386370829.db2.gz GASNBNUADBMRDG-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccon2)C[C@@H]1OC ZINC000276869096 386387302 /nfs/dbraw/zinc/38/73/02/386387302.db2.gz LFXDZTPEFATPGA-AOOOYVTPSA-N 1 2 212.249 0.520 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccon2)C[C@@H]1OC ZINC000276869096 386387308 /nfs/dbraw/zinc/38/73/08/386387308.db2.gz LFXDZTPEFATPGA-AOOOYVTPSA-N 1 2 212.249 0.520 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347384034 386376108 /nfs/dbraw/zinc/37/61/08/386376108.db2.gz WHUKQQKSZNFUHI-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347384034 386376112 /nfs/dbraw/zinc/37/61/12/386376112.db2.gz WHUKQQKSZNFUHI-PWSUYJOCSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347387672 386376969 /nfs/dbraw/zinc/37/69/69/386376969.db2.gz YVQVYZWCLJFUNX-MWLCHTKSSA-N 1 2 233.283 0.734 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347387672 386376971 /nfs/dbraw/zinc/37/69/71/386376971.db2.gz YVQVYZWCLJFUNX-MWLCHTKSSA-N 1 2 233.283 0.734 20 0 BCADLO C[C@H](CNC(=O)c1ccnn1C)Cn1cc[nH+]c1 ZINC000265865439 386378866 /nfs/dbraw/zinc/37/88/66/386378866.db2.gz XOJPRSJGXBSZSY-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347394494 386382838 /nfs/dbraw/zinc/38/28/38/386382838.db2.gz VXEMDEFEKPAKAG-LLVKDONJSA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347394494 386382841 /nfs/dbraw/zinc/38/28/41/386382841.db2.gz VXEMDEFEKPAKAG-LLVKDONJSA-N 1 2 246.282 0.100 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1scnc1C ZINC000339361567 386382970 /nfs/dbraw/zinc/38/29/70/386382970.db2.gz QLWHHIGNZWVEFV-MRVPVSSYSA-N 1 2 243.332 0.384 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1scnc1C ZINC000339361567 386382974 /nfs/dbraw/zinc/38/29/74/386382974.db2.gz QLWHHIGNZWVEFV-MRVPVSSYSA-N 1 2 243.332 0.384 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000265944173 386384652 /nfs/dbraw/zinc/38/46/52/386384652.db2.gz LWTLVTZCFLIVNM-VIFPVBQESA-N 1 2 240.307 0.236 20 0 BCADLO COCC[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000336775414 386384929 /nfs/dbraw/zinc/38/49/29/386384929.db2.gz YYGZWIPBTKZHQC-QMMMGPOBSA-N 1 2 224.264 0.087 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(C(=O)OC)[nH]1 ZINC000276474950 386331364 /nfs/dbraw/zinc/33/13/64/386331364.db2.gz NDESMDNMHHXAEP-UHFFFAOYSA-N 1 2 239.275 0.109 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(C(=O)OC)[nH]1 ZINC000276474950 386331368 /nfs/dbraw/zinc/33/13/68/386331368.db2.gz NDESMDNMHHXAEP-UHFFFAOYSA-N 1 2 239.275 0.109 20 0 BCADLO CCc1nnc(C[NH+]2CCC(OC)CC2)[nH]1 ZINC000347335328 386333504 /nfs/dbraw/zinc/33/35/04/386333504.db2.gz FBJUGVHGSRGYHW-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CF)C1 ZINC000334490498 386336973 /nfs/dbraw/zinc/33/69/73/386336973.db2.gz KOWLDIJTZWCTMV-MRVPVSSYSA-N 1 2 218.272 0.181 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CF)C1 ZINC000334490498 386336978 /nfs/dbraw/zinc/33/69/78/386336978.db2.gz KOWLDIJTZWCTMV-MRVPVSSYSA-N 1 2 218.272 0.181 20 0 BCADLO Cn1cccc1CNC(=O)NCc1[nH+]ccn1C ZINC000266442830 386437379 /nfs/dbraw/zinc/43/73/79/386437379.db2.gz AFAKIGIARNMVDW-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299313273 386439607 /nfs/dbraw/zinc/43/96/07/386439607.db2.gz XRAHTIMCCBEVMY-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO COc1cc([C@H](C)[NH2+]Cc2nnnn2C)ccn1 ZINC000347541778 386444830 /nfs/dbraw/zinc/44/48/30/386444830.db2.gz OHIOKMBZYFXSBD-QMMMGPOBSA-N 1 2 248.290 0.465 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347545163 386447748 /nfs/dbraw/zinc/44/77/48/386447748.db2.gz UGIYXVBPCKWOLK-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347545163 386447754 /nfs/dbraw/zinc/44/77/54/386447754.db2.gz UGIYXVBPCKWOLK-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)COCC1CC1 ZINC000298807527 386387853 /nfs/dbraw/zinc/38/78/53/386387853.db2.gz NKVVGZJGTJUQSQ-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000266012332 386388899 /nfs/dbraw/zinc/38/88/99/386388899.db2.gz SJCCRJMKBFOMOQ-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000266012332 386388900 /nfs/dbraw/zinc/38/89/00/386388900.db2.gz SJCCRJMKBFOMOQ-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cn1nnc(C[NH+]2CCC(C)(C)CC2)n1 ZINC000336694727 386390901 /nfs/dbraw/zinc/39/09/01/386390901.db2.gz HRKQLXUWVYTLJX-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@@H]1OC ZINC000336694656 386391233 /nfs/dbraw/zinc/39/12/33/386391233.db2.gz LVVPFTCVKPIIGV-PHIMTYICSA-N 1 2 237.303 0.631 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@@H]1OC ZINC000336694656 386391235 /nfs/dbraw/zinc/39/12/35/386391235.db2.gz LVVPFTCVKPIIGV-PHIMTYICSA-N 1 2 237.303 0.631 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000340613546 386397472 /nfs/dbraw/zinc/39/74/72/386397472.db2.gz DFLROZZFLCHMPM-OVYXKVPISA-N 1 2 240.303 0.195 20 0 BCADLO COC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000266085349 386397660 /nfs/dbraw/zinc/39/76/60/386397660.db2.gz YJZXDHVNHKBWSZ-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1nc(C(=O)NCCCn2cc[nH+]c2)n(C)n1 ZINC000347423179 386398030 /nfs/dbraw/zinc/39/80/30/386398030.db2.gz UNJYRCNZGTUDNB-UHFFFAOYSA-N 1 2 248.290 0.140 20 0 BCADLO Cn1cc(CC[N@@H+]2CCN(C3CC3)C(=O)C2)cn1 ZINC000336702064 386404318 /nfs/dbraw/zinc/40/43/18/386404318.db2.gz HQQIBOQETXFOIL-UHFFFAOYSA-N 1 2 248.330 0.269 20 0 BCADLO Cn1cc(CC[N@H+]2CCN(C3CC3)C(=O)C2)cn1 ZINC000336702064 386404322 /nfs/dbraw/zinc/40/43/22/386404322.db2.gz HQQIBOQETXFOIL-UHFFFAOYSA-N 1 2 248.330 0.269 20 0 BCADLO COCCc1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000336702182 386405278 /nfs/dbraw/zinc/40/52/78/386405278.db2.gz MCBSPWLMTKCCTL-VIFPVBQESA-N 1 2 241.291 0.479 20 0 BCADLO COCCc1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000336702182 386405285 /nfs/dbraw/zinc/40/52/85/386405285.db2.gz MCBSPWLMTKCCTL-VIFPVBQESA-N 1 2 241.291 0.479 20 0 BCADLO CO[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1OC ZINC000277131809 386411028 /nfs/dbraw/zinc/41/10/28/386411028.db2.gz CRNJXLFCLMGIJX-AOOOYVTPSA-N 1 2 223.276 0.635 20 0 BCADLO Cc1cc(C[N@H+](C)CC(C)(CO)CO)nn1C ZINC000336707709 386414548 /nfs/dbraw/zinc/41/45/48/386414548.db2.gz HLFZWWNZQBPKBD-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(C)(CO)CO)nn1C ZINC000336707709 386414557 /nfs/dbraw/zinc/41/45/57/386414557.db2.gz HLFZWWNZQBPKBD-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000336707681 386415162 /nfs/dbraw/zinc/41/51/62/386415162.db2.gz TTXSWINYLVYCFP-VIFPVBQESA-N 1 2 225.296 0.475 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000336707681 386415166 /nfs/dbraw/zinc/41/51/66/386415166.db2.gz TTXSWINYLVYCFP-VIFPVBQESA-N 1 2 225.296 0.475 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000336708042 386415284 /nfs/dbraw/zinc/41/52/84/386415284.db2.gz JIOHKUDQDGEUCX-NSHDSACASA-N 1 2 249.318 0.110 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000336708042 386415291 /nfs/dbraw/zinc/41/52/91/386415291.db2.gz JIOHKUDQDGEUCX-NSHDSACASA-N 1 2 249.318 0.110 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000290321572 386418098 /nfs/dbraw/zinc/41/80/98/386418098.db2.gz BRIFVENIMPBDRQ-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000290321572 386418106 /nfs/dbraw/zinc/41/81/06/386418106.db2.gz BRIFVENIMPBDRQ-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000290321572 386418110 /nfs/dbraw/zinc/41/81/10/386418110.db2.gz BRIFVENIMPBDRQ-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000290321572 386418117 /nfs/dbraw/zinc/41/81/17/386418117.db2.gz BRIFVENIMPBDRQ-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO C[C@H](CNc1nc2n[nH]cc2c(=O)[nH]1)[NH+](C)C ZINC000277203966 386419738 /nfs/dbraw/zinc/41/97/38/386419738.db2.gz YARHECDSHPESKS-ZCFIWIBFSA-N 1 2 236.279 0.421 20 0 BCADLO C[C@H](CNc1nc2[nH]ncc2c(=O)[nH]1)[NH+](C)C ZINC000277203966 386419745 /nfs/dbraw/zinc/41/97/45/386419745.db2.gz YARHECDSHPESKS-ZCFIWIBFSA-N 1 2 236.279 0.421 20 0 BCADLO CCOC(=O)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347490909 386422159 /nfs/dbraw/zinc/42/21/59/386422159.db2.gz FFJFLJOSRMCXGO-UHFFFAOYSA-N 1 2 225.248 0.321 20 0 BCADLO COCCOCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347508764 386426600 /nfs/dbraw/zinc/42/66/00/386426600.db2.gz ZXHDYDDRAWZUQQ-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347514713 386426945 /nfs/dbraw/zinc/42/69/45/386426945.db2.gz OAORTYQQADUCRU-IUCAKERBSA-N 1 2 223.276 0.793 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCSC1 ZINC000266390751 386430867 /nfs/dbraw/zinc/43/08/67/386430867.db2.gz IFIBGTZAEQHNRN-VIFPVBQESA-N 1 2 225.317 0.895 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cnn(C)c1 ZINC000299564868 386468780 /nfs/dbraw/zinc/46/87/80/386468780.db2.gz BGYKMTMETXBPKT-JTQLQIEISA-N 1 2 247.302 0.364 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000290779192 386472805 /nfs/dbraw/zinc/47/28/05/386472805.db2.gz RTAQDDUCNBYGCO-BDAKNGLRSA-N 1 2 240.307 0.643 20 0 BCADLO Cn1ccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000299633918 386476047 /nfs/dbraw/zinc/47/60/47/386476047.db2.gz KVJBSSHFVMKTHS-UHFFFAOYSA-N 1 2 219.248 0.645 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)CC(N)=O ZINC000299653324 386477350 /nfs/dbraw/zinc/47/73/50/386477350.db2.gz YSWJDFTUVVJJKG-UHFFFAOYSA-N 1 2 210.281 0.381 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1ccncc1 ZINC000299646136 386478498 /nfs/dbraw/zinc/47/84/98/386478498.db2.gz WHRFDONMOGJMNE-UHFFFAOYSA-N 1 2 230.271 0.985 20 0 BCADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1nccn1C ZINC000135027510 386478495 /nfs/dbraw/zinc/47/84/95/386478495.db2.gz VTPRNGWCSHXHLA-VIFPVBQESA-N 1 2 238.335 0.985 20 0 BCADLO CC1(C)COCCN1C(=O)Cn1cc[nH+]c1 ZINC000266900713 386480294 /nfs/dbraw/zinc/48/02/94/386480294.db2.gz ZBWPECOSIITUBP-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO CO[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290873862 386484031 /nfs/dbraw/zinc/48/40/31/386484031.db2.gz CWVROXXGTLGEKQ-QMMMGPOBSA-N 1 2 209.249 0.260 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cncc(O)c1 ZINC000519539467 386487350 /nfs/dbraw/zinc/48/73/50/386487350.db2.gz ALFKOSBTNDEFFE-UHFFFAOYSA-N 1 2 246.270 0.711 20 0 BCADLO CS[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290940068 386489689 /nfs/dbraw/zinc/48/96/89/386489689.db2.gz OJOZWKDHUBMWDS-QMMMGPOBSA-N 1 2 225.317 0.977 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339624310 386492119 /nfs/dbraw/zinc/49/21/19/386492119.db2.gz YTUAQBVYHLOCCU-TXEJJXNPSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339624310 386492124 /nfs/dbraw/zinc/49/21/24/386492124.db2.gz YTUAQBVYHLOCCU-TXEJJXNPSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339624309 386492872 /nfs/dbraw/zinc/49/28/72/386492872.db2.gz YTUAQBVYHLOCCU-RYUDHWBXSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@H](CNC(=O)c1cocn1)Cn1cc[nH+]c1 ZINC000267116421 386497134 /nfs/dbraw/zinc/49/71/34/386497134.db2.gz NQFKUMBOQJBKFC-SECBINFHSA-N 1 2 234.259 0.937 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267167268 386503284 /nfs/dbraw/zinc/50/32/84/386503284.db2.gz HFCQYSZEXMXTLN-WCBMZHEXSA-N 1 2 223.276 0.759 20 0 BCADLO COCC[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267164444 386504932 /nfs/dbraw/zinc/50/49/32/386504932.db2.gz ZKMUGWKDYWVEJU-NSHDSACASA-N 1 2 241.291 0.235 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000336356490 386506602 /nfs/dbraw/zinc/50/66/02/386506602.db2.gz DKMWPSCYFMSTHF-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO Cn1cc(N2CC[N@H+](CCC3CC3)CC2=O)cn1 ZINC000336784204 386509207 /nfs/dbraw/zinc/50/92/07/386509207.db2.gz LPQOGOXVXUOYPF-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO Cn1cc(N2CC[N@@H+](CCC3CC3)CC2=O)cn1 ZINC000336784204 386509215 /nfs/dbraw/zinc/50/92/15/386509215.db2.gz LPQOGOXVXUOYPF-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO COC(=O)C1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493402052 533174763 /nfs/dbraw/zinc/17/47/63/533174763.db2.gz PALGBXHNUCNRQP-ONEGZZNKSA-N 1 2 249.270 0.444 20 0 BCADLO CNc1cnc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000379991502 386530398 /nfs/dbraw/zinc/53/03/98/386530398.db2.gz UQYMIQZXDZBTFR-UHFFFAOYSA-N 1 2 246.274 0.480 20 0 BCADLO C[C@H](C(=O)N(C)[C@H](C)C1CC1)[NH+]1CCOCC1 ZINC000339681930 386521344 /nfs/dbraw/zinc/52/13/44/386521344.db2.gz VCXJQTJWSIMXQP-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncoc1C ZINC000267278711 386523085 /nfs/dbraw/zinc/52/30/85/386523085.db2.gz XBIPEBMEAFTGEY-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO O=C(c1ccn[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000299519154 386461254 /nfs/dbraw/zinc/46/12/54/386461254.db2.gz XSMCLRBVGJUTFD-UHFFFAOYSA-N 1 2 220.276 0.330 20 0 BCADLO O=C(c1cc[nH]n1)N1CC[NH+](C2CC2)CC1 ZINC000299519154 386461260 /nfs/dbraw/zinc/46/12/60/386461260.db2.gz XSMCLRBVGJUTFD-UHFFFAOYSA-N 1 2 220.276 0.330 20 0 BCADLO CC[C@@H](CNC(=O)NCc1[nH+]ccn1C)OC ZINC000290644019 386462079 /nfs/dbraw/zinc/46/20/79/386462079.db2.gz DXJQSJJFRNIAQO-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO Cn1cc(C2CC[NH+]([C@@H]3CCOC3=O)CC2)cn1 ZINC000299546995 386464018 /nfs/dbraw/zinc/46/40/18/386464018.db2.gz BJXXMMHFPVIMQE-GFCCVEGCSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1c2ccccc2nc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278729985 386575597 /nfs/dbraw/zinc/57/55/97/386575597.db2.gz LCFMENOQLKMDEH-VXGBXAGGSA-N 1 2 247.298 0.111 20 0 BCADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000267736331 386577434 /nfs/dbraw/zinc/57/74/34/386577434.db2.gz NFYFDANKWUBECS-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336997692 386577497 /nfs/dbraw/zinc/57/74/97/386577497.db2.gz PJSUYPDSQKRSHA-HTQZYQBOSA-N 1 2 237.259 0.177 20 0 BCADLO COC[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000103430034 386578972 /nfs/dbraw/zinc/57/89/72/386578972.db2.gz DZBMLVGQAJVICQ-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO C[C@H](C(=O)N1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000335415577 386582961 /nfs/dbraw/zinc/58/29/61/386582961.db2.gz ZJOPTKDGUIXZIX-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC(F)F ZINC000267811444 386587623 /nfs/dbraw/zinc/58/76/23/386587623.db2.gz YVKPTGHTFMJQSP-UHFFFAOYSA-N 1 2 218.207 0.484 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000267848859 386590130 /nfs/dbraw/zinc/59/01/30/386590130.db2.gz WITSAMYLGZOJID-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000267848859 386590136 /nfs/dbraw/zinc/59/01/36/386590136.db2.gz WITSAMYLGZOJID-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO CONC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366685448 386590967 /nfs/dbraw/zinc/59/09/67/386590967.db2.gz GVOCBGGKHYLRAU-SECBINFHSA-N 1 2 238.291 0.930 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1ccno1 ZINC000291348810 386537060 /nfs/dbraw/zinc/53/70/60/386537060.db2.gz XQUASRQMFDXGJI-JTQLQIEISA-N 1 2 226.276 0.912 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1ccno1 ZINC000291348810 386537064 /nfs/dbraw/zinc/53/70/64/386537064.db2.gz XQUASRQMFDXGJI-JTQLQIEISA-N 1 2 226.276 0.912 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000267403897 386538256 /nfs/dbraw/zinc/53/82/56/386538256.db2.gz RMBLITVNSPKMQR-UHFFFAOYSA-N 1 2 222.292 0.387 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000267403897 386538262 /nfs/dbraw/zinc/53/82/62/386538262.db2.gz RMBLITVNSPKMQR-UHFFFAOYSA-N 1 2 222.292 0.387 20 0 BCADLO O=C(Nc1nnc2ccccn21)[C@@H]1CSC[NH2+]1 ZINC000262637525 386540236 /nfs/dbraw/zinc/54/02/36/386540236.db2.gz HDJIHTQEDTTZDO-ZETCQYMHSA-N 1 2 249.299 0.330 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335464939 386550664 /nfs/dbraw/zinc/55/06/64/386550664.db2.gz YBNGAYFQJBEHFV-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335464939 386550667 /nfs/dbraw/zinc/55/06/67/386550667.db2.gz YBNGAYFQJBEHFV-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000414454032 386551332 /nfs/dbraw/zinc/55/13/32/386551332.db2.gz CLIIMPIWNKHSNB-UHFFFAOYSA-N 1 2 236.319 0.296 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335423194 386597315 /nfs/dbraw/zinc/59/73/15/386597315.db2.gz XWLPIGMXDOEZKQ-NSHDSACASA-N 1 2 244.360 0.330 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335423194 386597318 /nfs/dbraw/zinc/59/73/18/386597318.db2.gz XWLPIGMXDOEZKQ-NSHDSACASA-N 1 2 244.360 0.330 20 0 BCADLO O=C(C[N@@H+](CCO)Cc1cccnc1)NC1CC1 ZINC000267907249 386597436 /nfs/dbraw/zinc/59/74/36/386597436.db2.gz JILCOTVGCMXYBY-UHFFFAOYSA-N 1 2 249.314 0.155 20 0 BCADLO O=C(C[N@H+](CCO)Cc1cccnc1)NC1CC1 ZINC000267907249 386597443 /nfs/dbraw/zinc/59/74/43/386597443.db2.gz JILCOTVGCMXYBY-UHFFFAOYSA-N 1 2 249.314 0.155 20 0 BCADLO CC[N@H+](Cc1nncn1C)[C@@H]1CCOC1 ZINC000519797127 386558153 /nfs/dbraw/zinc/55/81/53/386558153.db2.gz SCYKFZVPEADGTI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1nncn1C)[C@@H]1CCOC1 ZINC000519797127 386558157 /nfs/dbraw/zinc/55/81/57/386558157.db2.gz SCYKFZVPEADGTI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000278628081 386558439 /nfs/dbraw/zinc/55/84/39/386558439.db2.gz MYZGVQRXSYLKHV-SSDOTTSWSA-N 1 2 239.275 0.328 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000278628081 386558445 /nfs/dbraw/zinc/55/84/45/386558445.db2.gz MYZGVQRXSYLKHV-SSDOTTSWSA-N 1 2 239.275 0.328 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2ncnn2C)C1 ZINC000187584930 386564762 /nfs/dbraw/zinc/56/47/62/386564762.db2.gz SBMDLOYRRLHYHE-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000187584930 386564766 /nfs/dbraw/zinc/56/47/66/386564766.db2.gz SBMDLOYRRLHYHE-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408422737 386569012 /nfs/dbraw/zinc/56/90/12/386569012.db2.gz KJDVDGRYDULMCO-IWSPIJDZSA-N 1 2 218.272 0.309 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408422737 386569019 /nfs/dbraw/zinc/56/90/19/386569019.db2.gz KJDVDGRYDULMCO-IWSPIJDZSA-N 1 2 218.272 0.309 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc[nH]c1 ZINC000456211466 386570910 /nfs/dbraw/zinc/57/09/10/386570910.db2.gz FVILIPZIDNVXFY-TXEJJXNPSA-N 1 2 249.314 0.608 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc[nH]c1 ZINC000456211466 386570921 /nfs/dbraw/zinc/57/09/21/386570921.db2.gz FVILIPZIDNVXFY-TXEJJXNPSA-N 1 2 249.314 0.608 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](CO)C2)no1 ZINC000051887336 386573463 /nfs/dbraw/zinc/57/34/63/386573463.db2.gz DQGOBTWEISBGLX-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](CO)C2)no1 ZINC000051887336 386573472 /nfs/dbraw/zinc/57/34/72/386573472.db2.gz DQGOBTWEISBGLX-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000268129563 386623639 /nfs/dbraw/zinc/62/36/39/386623639.db2.gz AHRMUFWCKGRWLU-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000328796964 386625644 /nfs/dbraw/zinc/62/56/44/386625644.db2.gz VIKGMDMBBOPVFQ-SECBINFHSA-N 1 2 245.286 0.773 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000644931110 386630075 /nfs/dbraw/zinc/63/00/75/386630075.db2.gz PVYQYRKNDGZDDE-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H](O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000644931110 386630077 /nfs/dbraw/zinc/63/00/77/386630077.db2.gz PVYQYRKNDGZDDE-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1cncc(OCCO)n1 ZINC000428105950 386636819 /nfs/dbraw/zinc/63/68/19/386636819.db2.gz BACBFIHIPNCMLE-UHFFFAOYSA-N 1 2 249.274 0.207 20 0 BCADLO CCN(CC(C)(C)O)C(=O)CCc1[nH]cc[nH+]1 ZINC000279144336 386640100 /nfs/dbraw/zinc/64/01/00/386640100.db2.gz GOYVPJCWTJAMIO-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279169010 386642343 /nfs/dbraw/zinc/64/23/43/386642343.db2.gz IXRBACYEKYECOY-SECBINFHSA-N 1 2 225.292 0.802 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279169010 386642350 /nfs/dbraw/zinc/64/23/50/386642350.db2.gz IXRBACYEKYECOY-SECBINFHSA-N 1 2 225.292 0.802 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119854787 386649569 /nfs/dbraw/zinc/64/95/69/386649569.db2.gz GCRUQHJTKMHBBJ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119854787 386649577 /nfs/dbraw/zinc/64/95/77/386649577.db2.gz GCRUQHJTKMHBBJ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1c[nH+]cc1[C@H]1NC(=O)[C@H]2CSCCN21 ZINC000328933783 386650542 /nfs/dbraw/zinc/65/05/42/386650542.db2.gz BYLNATCKQBOVDX-BDAKNGLRSA-N 1 2 238.316 0.806 20 0 BCADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1c1nc[nH]n1 ZINC000328922449 386656318 /nfs/dbraw/zinc/65/63/18/386656318.db2.gz UKSQZFAXSHXYIQ-SECBINFHSA-N 1 2 248.290 0.112 20 0 BCADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1c1nc[nH]n1 ZINC000328918741 386652595 /nfs/dbraw/zinc/65/25/95/386652595.db2.gz SFHXXDPUYLCXPL-SNVBAGLBSA-N 1 2 248.290 0.112 20 0 BCADLO Cc1[nH]c(C(=O)NCCCCCO)c[nH+]1 ZINC000279226739 386653816 /nfs/dbraw/zinc/65/38/16/386653816.db2.gz OMEYWXATWZPPRO-UHFFFAOYSA-N 1 2 211.265 0.611 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C[C@@H]1CCCO1 ZINC000187836571 386603788 /nfs/dbraw/zinc/60/37/88/386603788.db2.gz ISGCEOSAXNMPDN-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C[C@@H]1CCCO1 ZINC000187836571 386603794 /nfs/dbraw/zinc/60/37/94/386603794.db2.gz ISGCEOSAXNMPDN-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550354 386603770 /nfs/dbraw/zinc/60/37/70/386603770.db2.gz PCHZOGMTBRIDQA-HTQZYQBOSA-N 1 2 224.264 0.156 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550354 386603776 /nfs/dbraw/zinc/60/37/76/386603776.db2.gz PCHZOGMTBRIDQA-HTQZYQBOSA-N 1 2 224.264 0.156 20 0 BCADLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc[nH]n1 ZINC000328922450 386654993 /nfs/dbraw/zinc/65/49/93/386654993.db2.gz UKSQZFAXSHXYIQ-VIFPVBQESA-N 1 2 248.290 0.112 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000328669546 386606950 /nfs/dbraw/zinc/60/69/50/386606950.db2.gz MBQDGIKKYDQRTL-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000328669546 386606954 /nfs/dbraw/zinc/60/69/54/386606954.db2.gz MBQDGIKKYDQRTL-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000328674276 386607080 /nfs/dbraw/zinc/60/70/80/386607080.db2.gz PWPUGEWSKIDQFZ-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000328674276 386607086 /nfs/dbraw/zinc/60/70/86/386607086.db2.gz PWPUGEWSKIDQFZ-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C[C@H]1CCOC1 ZINC000328603629 386607550 /nfs/dbraw/zinc/60/75/50/386607550.db2.gz HYGMNFDMVGCCQL-SECBINFHSA-N 1 2 237.307 0.476 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C[C@H]1CCOC1 ZINC000328603629 386607554 /nfs/dbraw/zinc/60/75/54/386607554.db2.gz HYGMNFDMVGCCQL-SECBINFHSA-N 1 2 237.307 0.476 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC(CF)C1 ZINC000335490228 386607643 /nfs/dbraw/zinc/60/76/43/386607643.db2.gz CETREZSSPSPHMH-SNVBAGLBSA-N 1 2 237.278 0.873 20 0 BCADLO CCN(CC(C)(C)O)C(=O)Cc1[nH]c[nH+]c1C ZINC000278950238 386608279 /nfs/dbraw/zinc/60/82/79/386608279.db2.gz VOFKBORAUPGVPN-UHFFFAOYSA-N 1 2 239.319 0.880 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335491103 386609878 /nfs/dbraw/zinc/60/98/78/386609878.db2.gz JGGAHKAKUJMCDI-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493911 386614422 /nfs/dbraw/zinc/61/44/22/386614422.db2.gz ZUMNSFHQXFZKLO-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000336645654 386615394 /nfs/dbraw/zinc/61/53/94/386615394.db2.gz YKYDYFQXJUYTDA-CSMHCCOUSA-N 1 2 203.307 0.889 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000268072088 386615598 /nfs/dbraw/zinc/61/55/98/386615598.db2.gz ASYIBHOFEMZJAL-VHSXEESVSA-N 1 2 237.303 0.994 20 0 BCADLO CN(CC1(CO)CC1)C(=O)Cc1c[nH+]cn1C ZINC000525871516 386617322 /nfs/dbraw/zinc/61/73/22/386617322.db2.gz FQNFLQRVTFXZMI-UHFFFAOYSA-N 1 2 237.303 0.194 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CC[C@H]1O ZINC000335522007 386661815 /nfs/dbraw/zinc/66/18/15/386661815.db2.gz SMHBWHZXRQSROC-GHMZBOCLSA-N 1 2 245.282 0.516 20 0 BCADLO CC[C@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000292385910 386663076 /nfs/dbraw/zinc/66/30/76/386663076.db2.gz YUKGWGOANMVIGA-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)nn1C ZINC000337225304 386663151 /nfs/dbraw/zinc/66/31/51/386663151.db2.gz PVSDZKDXZIWUHJ-RYUDHWBXSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)nn1C ZINC000337225304 386663155 /nfs/dbraw/zinc/66/31/55/386663155.db2.gz PVSDZKDXZIWUHJ-RYUDHWBXSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)nn1C ZINC000337225305 386663324 /nfs/dbraw/zinc/66/33/24/386663324.db2.gz PVSDZKDXZIWUHJ-VXGBXAGGSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)nn1C ZINC000337225305 386663327 /nfs/dbraw/zinc/66/33/27/386663327.db2.gz PVSDZKDXZIWUHJ-VXGBXAGGSA-N 1 2 248.330 0.439 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCC1CCOCC1 ZINC000330364084 386675075 /nfs/dbraw/zinc/67/50/75/386675075.db2.gz DNPWYROMNOLGPA-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCC1CCOCC1 ZINC000330364084 386675078 /nfs/dbraw/zinc/67/50/78/386675078.db2.gz DNPWYROMNOLGPA-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO Cn1ccc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000268671121 386679243 /nfs/dbraw/zinc/67/92/43/386679243.db2.gz ZYVOHYQWIQPXBZ-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000339829013 386679933 /nfs/dbraw/zinc/67/99/33/386679933.db2.gz LNAWLZZUZUIPDZ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000339829013 386679937 /nfs/dbraw/zinc/67/99/37/386679937.db2.gz LNAWLZZUZUIPDZ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CCc1c[nH]nn1 ZINC000647954797 386682981 /nfs/dbraw/zinc/68/29/81/386682981.db2.gz FOFLBSCWBZBHOA-UHFFFAOYSA-N 1 2 239.323 0.147 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CCc1c[nH]nn1 ZINC000647954797 386682987 /nfs/dbraw/zinc/68/29/87/386682987.db2.gz FOFLBSCWBZBHOA-UHFFFAOYSA-N 1 2 239.323 0.147 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CCc1cn[nH]n1 ZINC000647954797 386682991 /nfs/dbraw/zinc/68/29/91/386682991.db2.gz FOFLBSCWBZBHOA-UHFFFAOYSA-N 1 2 239.323 0.147 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CCc1cn[nH]n1 ZINC000647954797 386683001 /nfs/dbraw/zinc/68/30/01/386683001.db2.gz FOFLBSCWBZBHOA-UHFFFAOYSA-N 1 2 239.323 0.147 20 0 BCADLO CCCc1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000050116863 386683851 /nfs/dbraw/zinc/68/38/51/386683851.db2.gz MIPOVPIWOIDEDW-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000050116863 386683855 /nfs/dbraw/zinc/68/38/55/386683855.db2.gz MIPOVPIWOIDEDW-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO Cn1c(C[N@H+](C)C2CC(O)C2)nnc1C1CC1 ZINC000329495641 386687198 /nfs/dbraw/zinc/68/71/98/386687198.db2.gz FRBDUSCPCQTTEV-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO Cn1c(C[N@@H+](C)C2CC(O)C2)nnc1C1CC1 ZINC000329495641 386687202 /nfs/dbraw/zinc/68/72/02/386687202.db2.gz FRBDUSCPCQTTEV-UHFFFAOYSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000647956163 386688616 /nfs/dbraw/zinc/68/86/16/386688616.db2.gz FPIVCHVUQHZDBB-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000647956163 386688620 /nfs/dbraw/zinc/68/86/20/386688620.db2.gz FPIVCHVUQHZDBB-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)[C@@H](C)CO1 ZINC000647956163 386688627 /nfs/dbraw/zinc/68/86/27/386688627.db2.gz FPIVCHVUQHZDBB-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)[C@@H](C)CO1 ZINC000647956163 386688630 /nfs/dbraw/zinc/68/86/30/386688630.db2.gz FPIVCHVUQHZDBB-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO Cn1ccnc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000121055256 386692670 /nfs/dbraw/zinc/69/26/70/386692670.db2.gz CYIFFYIEALNWNK-UHFFFAOYSA-N 1 2 236.319 0.508 20 0 BCADLO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)C(=O)OC ZINC000192859579 386693168 /nfs/dbraw/zinc/69/31/68/386693168.db2.gz YOSBOCMSBOMWPR-QMMMGPOBSA-N 1 2 230.308 0.300 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)NC1CC1)CC(=O)OC ZINC000337264300 386694520 /nfs/dbraw/zinc/69/45/20/386694520.db2.gz XQPIDPSJQXUEKR-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)NC1CC1)CC(=O)OC ZINC000337264300 386694522 /nfs/dbraw/zinc/69/45/22/386694522.db2.gz XQPIDPSJQXUEKR-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO COC[C@@H](C)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414483261 386694789 /nfs/dbraw/zinc/69/47/89/386694789.db2.gz FCJAEWDGWDGVFM-SCZZXKLOSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cocn1 ZINC000279523834 386695018 /nfs/dbraw/zinc/69/50/18/386695018.db2.gz YRDGMMATAJZCCH-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cocn1 ZINC000279523834 386695023 /nfs/dbraw/zinc/69/50/23/386695023.db2.gz YRDGMMATAJZCCH-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cocn1 ZINC000279523834 386695025 /nfs/dbraw/zinc/69/50/25/386695025.db2.gz YRDGMMATAJZCCH-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000330435219 386695867 /nfs/dbraw/zinc/69/58/67/386695867.db2.gz ASDSRNHRRZJLQV-NXEZZACHSA-N 1 2 239.319 0.628 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](CO)CC(C)(C)C ZINC000451787024 386706358 /nfs/dbraw/zinc/70/63/58/386706358.db2.gz IVWPFYNZVNBRRK-MRVPVSSYSA-N 1 2 242.323 0.739 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](CO)CC(C)(C)C ZINC000451787024 386706364 /nfs/dbraw/zinc/70/63/64/386706364.db2.gz IVWPFYNZVNBRRK-MRVPVSSYSA-N 1 2 242.323 0.739 20 0 BCADLO CO[C@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000330410677 386707591 /nfs/dbraw/zinc/70/75/91/386707591.db2.gz UIEXQAQERYMKJP-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)CC1CC1)[C@@H](C)O ZINC000191966464 386732207 /nfs/dbraw/zinc/73/22/07/386732207.db2.gz KTFQCQQDVWSMMZ-NQMVMOMDSA-N 1 2 215.293 0.687 20 0 BCADLO CO[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)C ZINC000353318524 386732273 /nfs/dbraw/zinc/73/22/73/386732273.db2.gz FQKMVBBBKXHNCD-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1[nH]ncc1C ZINC000648062943 386716148 /nfs/dbraw/zinc/71/61/48/386716148.db2.gz NIKQIKGGDSJHNF-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1[nH]ncc1C ZINC000648062943 386716151 /nfs/dbraw/zinc/71/61/51/386716151.db2.gz NIKQIKGGDSJHNF-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1n[nH]cc1C ZINC000648062943 386716154 /nfs/dbraw/zinc/71/61/54/386716154.db2.gz NIKQIKGGDSJHNF-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1n[nH]cc1C ZINC000648062943 386716159 /nfs/dbraw/zinc/71/61/59/386716159.db2.gz NIKQIKGGDSJHNF-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335540335 386718788 /nfs/dbraw/zinc/71/87/88/386718788.db2.gz KKLJFHHRUBDDMD-SCZZXKLOSA-N 1 2 240.328 0.602 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335540335 386718791 /nfs/dbraw/zinc/71/87/91/386718791.db2.gz KKLJFHHRUBDDMD-SCZZXKLOSA-N 1 2 240.328 0.602 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000248443972 386723150 /nfs/dbraw/zinc/72/31/50/386723150.db2.gz FTFLJWFRBNANFH-KCJUWKMLSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CC[C@](C)(O)C2)n1 ZINC000248443972 386723157 /nfs/dbraw/zinc/72/31/57/386723157.db2.gz FTFLJWFRBNANFH-KCJUWKMLSA-N 1 2 241.291 0.734 20 0 BCADLO Cc1c(C[N@H+]2CCOC[C@H]2C)cnn1C ZINC000268937006 386724362 /nfs/dbraw/zinc/72/43/62/386724362.db2.gz SCSVEPBIJPIWBE-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c(C[N@@H+]2CCOC[C@H]2C)cnn1C ZINC000268937006 386724370 /nfs/dbraw/zinc/72/43/70/386724370.db2.gz SCSVEPBIJPIWBE-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1C ZINC000292913901 386747863 /nfs/dbraw/zinc/74/78/63/386747863.db2.gz FONUQPHOEQFGRX-SFYZADRCSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1C ZINC000292913901 386747868 /nfs/dbraw/zinc/74/78/68/386747868.db2.gz FONUQPHOEQFGRX-SFYZADRCSA-N 1 2 236.323 0.360 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335539495 386747988 /nfs/dbraw/zinc/74/79/88/386747988.db2.gz BLKOXMYLBXPWJA-MNOVXSKESA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335539495 386747990 /nfs/dbraw/zinc/74/79/90/386747990.db2.gz BLKOXMYLBXPWJA-MNOVXSKESA-N 1 2 226.320 0.764 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N(CCO)CC1CC1 ZINC000340755611 386765744 /nfs/dbraw/zinc/76/57/44/386765744.db2.gz XQWGTHMURZOGDZ-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccon1 ZINC000336761511 386766183 /nfs/dbraw/zinc/76/61/83/386766183.db2.gz NEPDXQSVAQLUOT-ZETCQYMHSA-N 1 2 209.249 0.604 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nccc(C)n2)C1 ZINC000330559889 386767464 /nfs/dbraw/zinc/76/74/64/386767464.db2.gz YGAFMKLIEZUJMS-QWRGUYRKSA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nccc(C)n2)C1 ZINC000330559889 386767469 /nfs/dbraw/zinc/76/74/69/386767469.db2.gz YGAFMKLIEZUJMS-QWRGUYRKSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nc(C)c(NC(=O)[C@H]2COCC[NH2+]2)s1 ZINC000269255534 386768100 /nfs/dbraw/zinc/76/81/00/386768100.db2.gz WDJXXNTWICXMSO-MRVPVSSYSA-N 1 2 241.316 0.687 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000335538469 386742990 /nfs/dbraw/zinc/74/29/90/386742990.db2.gz KJEXLFRPXZYUQD-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000335538469 386742998 /nfs/dbraw/zinc/74/29/98/386742998.db2.gz KJEXLFRPXZYUQD-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340873141 386795116 /nfs/dbraw/zinc/79/51/16/386795116.db2.gz FICGOWUTKYUTBD-LBPRGKRZSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340873141 386795118 /nfs/dbraw/zinc/79/51/18/386795118.db2.gz FICGOWUTKYUTBD-LBPRGKRZSA-N 1 2 228.336 0.966 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCSCC1 ZINC000340782064 386771686 /nfs/dbraw/zinc/77/16/86/386771686.db2.gz UURFWVNQMCGYOT-UHFFFAOYSA-N 1 2 213.310 0.149 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCSCC1 ZINC000340782064 386771689 /nfs/dbraw/zinc/77/16/89/386771689.db2.gz UURFWVNQMCGYOT-UHFFFAOYSA-N 1 2 213.310 0.149 20 0 BCADLO Cc1oncc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000527074364 386775042 /nfs/dbraw/zinc/77/50/42/386775042.db2.gz LYVNYALYPPZNNI-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1oncc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000527074364 386775043 /nfs/dbraw/zinc/77/50/43/386775043.db2.gz LYVNYALYPPZNNI-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000113001908 386775754 /nfs/dbraw/zinc/77/57/54/386775754.db2.gz LNZGSHVBRFFPGM-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000113001908 386775759 /nfs/dbraw/zinc/77/57/59/386775759.db2.gz LNZGSHVBRFFPGM-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ncnn1C ZINC000191192611 386776195 /nfs/dbraw/zinc/77/61/95/386776195.db2.gz WIWHHOUUUVFYQH-RKDXNWHRSA-N 1 2 224.308 0.549 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269322189 386779581 /nfs/dbraw/zinc/77/95/81/386779581.db2.gz SVKGSQZDZOPZBI-JQWIXIFHSA-N 1 2 239.319 0.939 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cnnn2C)cn1 ZINC000330579298 386796447 /nfs/dbraw/zinc/79/64/47/386796447.db2.gz OXTVGDVLZGBRBQ-UHFFFAOYSA-N 1 2 220.280 0.181 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cnnn2C)cn1 ZINC000330579298 386796457 /nfs/dbraw/zinc/79/64/57/386796457.db2.gz OXTVGDVLZGBRBQ-UHFFFAOYSA-N 1 2 220.280 0.181 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCCO1 ZINC000269356993 386783173 /nfs/dbraw/zinc/78/31/73/386783173.db2.gz QMPWVKSZUVIMAR-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCn2ncnc2C1 ZINC000329693211 386784775 /nfs/dbraw/zinc/78/47/75/386784775.db2.gz WSEAGWZAJIYGBJ-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCn2ncnc2C1 ZINC000329693211 386784784 /nfs/dbraw/zinc/78/47/84/386784784.db2.gz WSEAGWZAJIYGBJ-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO CCC[C@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269381892 386787194 /nfs/dbraw/zinc/78/71/94/386787194.db2.gz VLOXFZPNBOPCRZ-QMMMGPOBSA-N 1 2 211.265 0.609 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCCO1 ZINC000269410745 386788659 /nfs/dbraw/zinc/78/86/59/386788659.db2.gz HYSUTXSCHWGQNF-SECBINFHSA-N 1 2 223.276 0.605 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCn2ncnc2C1 ZINC000329944025 386816668 /nfs/dbraw/zinc/81/66/68/386816668.db2.gz DXSGSFAVQWHQOI-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCn2ncnc2C1 ZINC000329944025 386816675 /nfs/dbraw/zinc/81/66/75/386816675.db2.gz DXSGSFAVQWHQOI-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cn1nncc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000330614300 386820235 /nfs/dbraw/zinc/82/02/35/386820235.db2.gz RWNLTNWCJJYBJH-UHFFFAOYSA-N 1 2 225.296 0.951 20 0 BCADLO Cn1nncc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000330614300 386820240 /nfs/dbraw/zinc/82/02/40/386820240.db2.gz RWNLTNWCJJYBJH-UHFFFAOYSA-N 1 2 225.296 0.951 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330618738 386820260 /nfs/dbraw/zinc/82/02/60/386820260.db2.gz HSLIUYWGAWWCFN-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330618738 386820270 /nfs/dbraw/zinc/82/02/70/386820270.db2.gz HSLIUYWGAWWCFN-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330621046 386821341 /nfs/dbraw/zinc/82/13/41/386821341.db2.gz LKPBTAHRULBWCL-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330621046 386821347 /nfs/dbraw/zinc/82/13/47/386821347.db2.gz LKPBTAHRULBWCL-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1cc(CNc2cccc(CO)[nH+]2)cn1 ZINC000336672112 386823398 /nfs/dbraw/zinc/82/33/98/386823398.db2.gz HKMFOBFMYJZXEP-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000329748370 386800748 /nfs/dbraw/zinc/80/07/48/386800748.db2.gz SWUXFVUTOHPYND-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000329748370 386800752 /nfs/dbraw/zinc/80/07/52/386800752.db2.gz SWUXFVUTOHPYND-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000329748369 386800896 /nfs/dbraw/zinc/80/08/96/386800896.db2.gz SWUXFVUTOHPYND-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000329748369 386800902 /nfs/dbraw/zinc/80/09/02/386800902.db2.gz SWUXFVUTOHPYND-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCF ZINC000280575413 386824283 /nfs/dbraw/zinc/82/42/83/386824283.db2.gz MAEDDZOLWVBMSA-MRVPVSSYSA-N 1 2 214.244 0.540 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589196 386802191 /nfs/dbraw/zinc/80/21/91/386802191.db2.gz UNKZSPUKRHZXEX-VGMNWLOBSA-N 1 2 234.271 0.331 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589196 386802197 /nfs/dbraw/zinc/80/21/97/386802197.db2.gz UNKZSPUKRHZXEX-VGMNWLOBSA-N 1 2 234.271 0.331 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000357542968 386803248 /nfs/dbraw/zinc/80/32/48/386803248.db2.gz VMRCVSMSCHGHST-WOPDTQHZSA-N 1 2 239.363 0.489 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000357542967 386803779 /nfs/dbraw/zinc/80/37/79/386803779.db2.gz VMRCVSMSCHGHST-UTUOFQBUSA-N 1 2 239.363 0.489 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H](C)O)C(=O)OC ZINC000192983310 386807480 /nfs/dbraw/zinc/80/74/80/386807480.db2.gz RKQTYXPCPKKYKR-PSASIEDQSA-N 1 2 203.282 0.689 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nn1 ZINC000329880915 386810160 /nfs/dbraw/zinc/81/01/60/386810160.db2.gz AFTFSZQGGXAKHX-LSJOCFKGSA-N 1 2 249.318 0.951 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nn1 ZINC000329880915 386810170 /nfs/dbraw/zinc/81/01/70/386810170.db2.gz AFTFSZQGGXAKHX-LSJOCFKGSA-N 1 2 249.318 0.951 20 0 BCADLO COCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113260792 386811274 /nfs/dbraw/zinc/81/12/74/386811274.db2.gz HMUXNJGCUNIHKL-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO COCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113260792 386811278 /nfs/dbraw/zinc/81/12/78/386811278.db2.gz HMUXNJGCUNIHKL-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352874951 386812752 /nfs/dbraw/zinc/81/27/52/386812752.db2.gz ITFRRXOGYUXJCU-UASCKYALSA-N 1 2 246.376 0.482 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352874951 386812756 /nfs/dbraw/zinc/81/27/56/386812756.db2.gz ITFRRXOGYUXJCU-UASCKYALSA-N 1 2 246.376 0.482 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000280445803 386813590 /nfs/dbraw/zinc/81/35/90/386813590.db2.gz KWPJIRDCGIIKTJ-JTQLQIEISA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000280445803 386813598 /nfs/dbraw/zinc/81/35/98/386813598.db2.gz KWPJIRDCGIIKTJ-JTQLQIEISA-N 1 2 209.293 0.921 20 0 BCADLO Cn1nccc1C[N@@H+]1CCn2ncnc2C1 ZINC000329941982 386816131 /nfs/dbraw/zinc/81/61/31/386816131.db2.gz CNYSBBKVULNHFW-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1nccc1C[N@H+]1CCn2ncnc2C1 ZINC000329941982 386816136 /nfs/dbraw/zinc/81/61/36/386816136.db2.gz CNYSBBKVULNHFW-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CO[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000280570991 386825733 /nfs/dbraw/zinc/82/57/33/386825733.db2.gz CKCUHNINWVHLMX-GXSJLCMTSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCOC1 ZINC000330627575 386825803 /nfs/dbraw/zinc/82/58/03/386825803.db2.gz KKALNIICJPPRLZ-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330676351 386853173 /nfs/dbraw/zinc/85/31/73/386853173.db2.gz UFWQJGNBKKZEPP-ONGXEEELSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC1(O)CCCC1 ZINC000280694761 386836713 /nfs/dbraw/zinc/83/67/13/386836713.db2.gz DSQKSINXOBMUNS-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCn1nc(C)cc1C ZINC000280694639 386836766 /nfs/dbraw/zinc/83/67/66/386836766.db2.gz HWQTXRPJYDSZIO-LLVKDONJSA-N 1 2 239.319 0.993 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1nc(C)cc1C ZINC000280694639 386836775 /nfs/dbraw/zinc/83/67/75/386836775.db2.gz HWQTXRPJYDSZIO-LLVKDONJSA-N 1 2 239.319 0.993 20 0 BCADLO CCN(CC)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280732439 386840822 /nfs/dbraw/zinc/84/08/22/386840822.db2.gz ITJHUESZWBUGDW-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ncn1 ZINC000330266797 386841896 /nfs/dbraw/zinc/84/18/96/386841896.db2.gz AGXIXUIRHLGBLT-NSHDSACASA-N 1 2 247.302 0.199 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ncn1 ZINC000330266797 386841901 /nfs/dbraw/zinc/84/19/01/386841901.db2.gz AGXIXUIRHLGBLT-NSHDSACASA-N 1 2 247.302 0.199 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)C[C@H](O)C(F)(F)F ZINC000341144181 386845374 /nfs/dbraw/zinc/84/53/74/386845374.db2.gz MLAFLLUGKMWSKZ-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)C[C@H](O)C(F)(F)F ZINC000341144181 386845379 /nfs/dbraw/zinc/84/53/79/386845379.db2.gz MLAFLLUGKMWSKZ-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO CC(C)OC1CC([N@H+]2CC(=O)N[C@@H](C)C2)C1 ZINC000334786624 386847040 /nfs/dbraw/zinc/84/70/40/386847040.db2.gz ISTMNBGYBCVZCR-WHXUTIOJSA-N 1 2 226.320 0.763 20 0 BCADLO CC(C)OC1CC([N@@H+]2CC(=O)N[C@@H](C)C2)C1 ZINC000334786624 386847043 /nfs/dbraw/zinc/84/70/43/386847043.db2.gz ISTMNBGYBCVZCR-WHXUTIOJSA-N 1 2 226.320 0.763 20 0 BCADLO Cc1nc(CN(C)Cc2c[nH+]cn2C)no1 ZINC000330800249 386892349 /nfs/dbraw/zinc/89/23/49/386892349.db2.gz HLNABDLQYTXQCW-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)CSC)C1CC1 ZINC000336745090 386893857 /nfs/dbraw/zinc/89/38/57/386893857.db2.gz AEVVLCVQZMPSFG-IUCAKERBSA-N 1 2 233.333 0.252 20 0 BCADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000334790650 386856229 /nfs/dbraw/zinc/85/62/29/386856229.db2.gz RCYGHQJOAIZTNO-NSHDSACASA-N 1 2 236.319 0.822 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000334790650 386856234 /nfs/dbraw/zinc/85/62/34/386856234.db2.gz RCYGHQJOAIZTNO-NSHDSACASA-N 1 2 236.319 0.822 20 0 BCADLO NC(=O)CN1CC[N@@H+]([C@@H]2C=CCCC2)CC1=O ZINC000334791031 386856411 /nfs/dbraw/zinc/85/64/11/386856411.db2.gz DPZSZUDGJPOFEY-SNVBAGLBSA-N 1 2 237.303 0.775 20 0 BCADLO NC(=O)CN1CC[N@H+]([C@@H]2C=CCCC2)CC1=O ZINC000334791031 386856413 /nfs/dbraw/zinc/85/64/13/386856413.db2.gz DPZSZUDGJPOFEY-SNVBAGLBSA-N 1 2 237.303 0.775 20 0 BCADLO CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000335744351 386863050 /nfs/dbraw/zinc/86/30/50/386863050.db2.gz PDFODKQVEGBGHJ-IUCAKERBSA-N 1 2 215.297 0.025 20 0 BCADLO Cc1c[nH+]c([C@H]2NC(=O)CN2CC(C)C)n1C ZINC000341297034 386864931 /nfs/dbraw/zinc/86/49/31/386864931.db2.gz XWMRUWJZINKNJW-LBPRGKRZSA-N 1 2 236.319 0.815 20 0 BCADLO Cc1nc(N2CC[C@](C)(O)C2)nc(N(C)C)[nH+]1 ZINC000357930388 386866590 /nfs/dbraw/zinc/86/65/90/386866590.db2.gz NPRKHCIUFVQVRT-NSHDSACASA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@](C)(O)C2)[nH+]1 ZINC000357930388 386866593 /nfs/dbraw/zinc/86/65/93/386866593.db2.gz NPRKHCIUFVQVRT-NSHDSACASA-N 1 2 237.307 0.207 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2CCCN(C)C2=O)n1C ZINC000341257027 386867001 /nfs/dbraw/zinc/86/70/01/386867001.db2.gz JKNMYAGLYHYQBG-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO CC(C)[NH+]1CCN(S(=O)(=O)C2(C)CC2)CC1 ZINC000335746372 386867765 /nfs/dbraw/zinc/86/77/65/386867765.db2.gz MQSRDJMZPMFKIO-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC1(CO)CCC1 ZINC000331655503 386878446 /nfs/dbraw/zinc/87/84/46/386878446.db2.gz XILWBYUNXLSDOU-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000330764446 386882520 /nfs/dbraw/zinc/88/25/20/386882520.db2.gz RMUQSUTZXBAGFO-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](O)C[C@@H]2C)cc[nH+]1 ZINC000335755513 386883109 /nfs/dbraw/zinc/88/31/09/386883109.db2.gz XVRGVCONNYDZKO-ONGXEEELSA-N 1 2 235.287 0.799 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330304492 386883586 /nfs/dbraw/zinc/88/35/86/386883586.db2.gz KKDFSLPJSIQZDG-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH]n1 ZINC000330304239 386883863 /nfs/dbraw/zinc/88/38/63/386883863.db2.gz KFUILSKPHVBKES-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331740794 386887872 /nfs/dbraw/zinc/88/78/72/386887872.db2.gz ANSVUSCXCLRMFE-BQBZGAKWSA-N 1 2 226.280 0.413 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000352887469 386889753 /nfs/dbraw/zinc/88/97/53/386889753.db2.gz KOHOKKGDFVKREI-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000352887469 386889756 /nfs/dbraw/zinc/88/97/56/386889756.db2.gz KOHOKKGDFVKREI-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C)no2)C1 ZINC000331746667 386890077 /nfs/dbraw/zinc/89/00/77/386890077.db2.gz DADGOSOFCWDHML-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C)no2)C1 ZINC000331746667 386890080 /nfs/dbraw/zinc/89/00/80/386890080.db2.gz DADGOSOFCWDHML-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO C[N@H+](Cc1ccon1)[C@@]1(CO)CCOC1 ZINC000330855956 386914178 /nfs/dbraw/zinc/91/41/78/386914178.db2.gz PQVAQHDWKZTPBC-SNVBAGLBSA-N 1 2 212.249 0.258 20 0 BCADLO C[N@@H+](Cc1ccon1)[C@@]1(CO)CCOC1 ZINC000330855956 386914181 /nfs/dbraw/zinc/91/41/81/386914181.db2.gz PQVAQHDWKZTPBC-SNVBAGLBSA-N 1 2 212.249 0.258 20 0 BCADLO Cn1ccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349658066 386914230 /nfs/dbraw/zinc/91/42/30/386914230.db2.gz YARNHBSGGVGYNP-UHFFFAOYSA-N 1 2 246.318 0.711 20 0 BCADLO COc1cc(C(=O)N2CCn3cc[nH+]c3C2)on1 ZINC000331845906 386917299 /nfs/dbraw/zinc/91/72/99/386917299.db2.gz FPVXOGUZQZBAAY-UHFFFAOYSA-N 1 2 248.242 0.536 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712809 386918852 /nfs/dbraw/zinc/91/88/52/386918852.db2.gz CPVMJWILQKIPRD-QMMMGPOBSA-N 1 2 237.259 0.266 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712809 386918857 /nfs/dbraw/zinc/91/88/57/386918857.db2.gz CPVMJWILQKIPRD-QMMMGPOBSA-N 1 2 237.259 0.266 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000331871353 386919135 /nfs/dbraw/zinc/91/91/35/386919135.db2.gz SSEMTJVPPUCISM-SECBINFHSA-N 1 2 232.291 0.886 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000331871353 386919137 /nfs/dbraw/zinc/91/91/37/386919137.db2.gz SSEMTJVPPUCISM-SECBINFHSA-N 1 2 232.291 0.886 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000331760957 386895926 /nfs/dbraw/zinc/89/59/26/386895926.db2.gz AYVGHNFRIVOOEL-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000331760957 386895930 /nfs/dbraw/zinc/89/59/30/386895930.db2.gz AYVGHNFRIVOOEL-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)nc(C)n1 ZINC000330866183 386906243 /nfs/dbraw/zinc/90/62/43/386906243.db2.gz RSKZXRQXNIGLCW-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nnnn1C1CC1 ZINC000331802055 386907901 /nfs/dbraw/zinc/90/79/01/386907901.db2.gz VQNLEPIQMBDEFG-UHFFFAOYSA-N 1 2 224.268 0.365 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nnnn1C1CC1 ZINC000331802055 386907904 /nfs/dbraw/zinc/90/79/04/386907904.db2.gz VQNLEPIQMBDEFG-UHFFFAOYSA-N 1 2 224.268 0.365 20 0 BCADLO c1coc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349657477 386913298 /nfs/dbraw/zinc/91/32/98/386913298.db2.gz VYKFPIYYPCIYMX-UHFFFAOYSA-N 1 2 233.275 0.966 20 0 BCADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000334819780 386946744 /nfs/dbraw/zinc/94/67/44/386946744.db2.gz VUOQSSRHLNFFSF-QMMMGPOBSA-N 1 2 245.298 0.655 20 0 BCADLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000334819780 386946750 /nfs/dbraw/zinc/94/67/50/386946750.db2.gz VUOQSSRHLNFFSF-QMMMGPOBSA-N 1 2 245.298 0.655 20 0 BCADLO Cc1noc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000331892032 386921366 /nfs/dbraw/zinc/92/13/66/386921366.db2.gz MKEOCSCVANYLPJ-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1noc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000331892032 386921370 /nfs/dbraw/zinc/92/13/70/386921370.db2.gz MKEOCSCVANYLPJ-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO CN(C)c1noc(C[NH2+][C@@H]2COC(C)(C)C2)n1 ZINC000418014088 386921898 /nfs/dbraw/zinc/92/18/98/386921898.db2.gz UDZIYPNCVYCELW-QMMMGPOBSA-N 1 2 240.307 0.793 20 0 BCADLO COC[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302558814 386927265 /nfs/dbraw/zinc/92/72/65/386927265.db2.gz MEUGJBMSTDNNCQ-ZCFIWIBFSA-N 1 2 236.279 0.392 20 0 BCADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nnnn1C ZINC000330956906 386929808 /nfs/dbraw/zinc/92/98/08/386929808.db2.gz NFTHWCLRSOIMFX-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nnnn1C ZINC000330956906 386929811 /nfs/dbraw/zinc/92/98/11/386929811.db2.gz NFTHWCLRSOIMFX-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341604051 386931986 /nfs/dbraw/zinc/93/19/86/386931986.db2.gz JPGHKEOGAGRZPW-UTLUCORTSA-N 1 2 245.298 0.069 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341604051 386931990 /nfs/dbraw/zinc/93/19/90/386931990.db2.gz JPGHKEOGAGRZPW-UTLUCORTSA-N 1 2 245.298 0.069 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)nn1C ZINC000358338059 386937068 /nfs/dbraw/zinc/93/70/68/386937068.db2.gz LWNNRCFJDOLBMU-UHFFFAOYSA-N 1 2 232.243 0.503 20 0 BCADLO C[C@H](O)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330972893 386939075 /nfs/dbraw/zinc/93/90/75/386939075.db2.gz SITSPJVZEWFDLK-VIFPVBQESA-N 1 2 239.319 0.917 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@H]1C=CCCC1 ZINC000341628315 386944595 /nfs/dbraw/zinc/94/45/95/386944595.db2.gz ZZTFBGOBLCJZCW-VIFPVBQESA-N 1 2 207.281 0.751 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000341628315 386944599 /nfs/dbraw/zinc/94/45/99/386944599.db2.gz ZZTFBGOBLCJZCW-VIFPVBQESA-N 1 2 207.281 0.751 20 0 BCADLO CO[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000331013489 386946123 /nfs/dbraw/zinc/94/61/23/386946123.db2.gz SWVQWILRFNHWQJ-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)O ZINC000331063351 386952589 /nfs/dbraw/zinc/95/25/89/386952589.db2.gz VSGRFXQBVNMQJA-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352901219 386955107 /nfs/dbraw/zinc/95/51/07/386955107.db2.gz POOMXWVIDIEWQR-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352901219 386955110 /nfs/dbraw/zinc/95/51/10/386955110.db2.gz POOMXWVIDIEWQR-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO O=C1O[C@H](C[N@@H+]2CCO[C@H]3C[C@H]32)CC12CCC2 ZINC000368330545 386960046 /nfs/dbraw/zinc/96/00/46/386960046.db2.gz MDMWHQTVYNRVRX-AXFHLTTASA-N 1 2 237.299 0.945 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCO[C@H]3C[C@H]32)CC12CCC2 ZINC000368330545 386960050 /nfs/dbraw/zinc/96/00/50/386960050.db2.gz MDMWHQTVYNRVRX-AXFHLTTASA-N 1 2 237.299 0.945 20 0 BCADLO O=C1N=NC(SCCCn2cc[nH+]c2)N1 ZINC000191503542 386961418 /nfs/dbraw/zinc/96/14/18/386961418.db2.gz AHZNXDAAEQEJMM-UHFFFAOYSA-N 1 2 225.277 0.889 20 0 BCADLO FC(F)COCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368336307 386963768 /nfs/dbraw/zinc/96/37/68/386963768.db2.gz MMDBXONMYQYVNA-SFYZADRCSA-N 1 2 207.220 0.741 20 0 BCADLO FC(F)COCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368336307 386963771 /nfs/dbraw/zinc/96/37/71/386963771.db2.gz MMDBXONMYQYVNA-SFYZADRCSA-N 1 2 207.220 0.741 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000368450632 386973725 /nfs/dbraw/zinc/97/37/25/386973725.db2.gz RXOGPHHTGLYFJZ-NXEZZACHSA-N 1 2 233.333 0.284 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000368450632 386973729 /nfs/dbraw/zinc/97/37/29/386973729.db2.gz RXOGPHHTGLYFJZ-NXEZZACHSA-N 1 2 233.333 0.284 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332360338 386973980 /nfs/dbraw/zinc/97/39/80/386973980.db2.gz JITAQWYLUFODAO-APPZFPTMSA-N 1 2 239.275 0.729 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332360338 386973987 /nfs/dbraw/zinc/97/39/87/386973987.db2.gz JITAQWYLUFODAO-APPZFPTMSA-N 1 2 239.275 0.729 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1=O ZINC000358532771 386976959 /nfs/dbraw/zinc/97/69/59/386976959.db2.gz SRQXEMCLMQUIJE-JTQLQIEISA-N 1 2 249.314 0.459 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1=O ZINC000358532771 386976962 /nfs/dbraw/zinc/97/69/62/386976962.db2.gz SRQXEMCLMQUIJE-JTQLQIEISA-N 1 2 249.314 0.459 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)nn1 ZINC000353023943 386978038 /nfs/dbraw/zinc/97/80/38/386978038.db2.gz GMCGMSLLCRANFY-MRVPVSSYSA-N 1 2 246.261 0.876 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)nn1 ZINC000353023943 386978042 /nfs/dbraw/zinc/97/80/42/386978042.db2.gz GMCGMSLLCRANFY-MRVPVSSYSA-N 1 2 246.261 0.876 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)o1 ZINC000331172492 386979265 /nfs/dbraw/zinc/97/92/65/386979265.db2.gz OJWZXUHMOOOXJF-WDEREUQCSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cnc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)o1 ZINC000331172492 386979267 /nfs/dbraw/zinc/97/92/67/386979267.db2.gz OJWZXUHMOOOXJF-WDEREUQCSA-N 1 2 240.303 0.955 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCO)C1 ZINC000332446059 386979517 /nfs/dbraw/zinc/97/95/17/386979517.db2.gz XXNXXBMXBHHCGG-ZJUUUORDSA-N 1 2 240.307 0.257 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCO)C1 ZINC000332446059 386979520 /nfs/dbraw/zinc/97/95/20/386979520.db2.gz XXNXXBMXBHHCGG-ZJUUUORDSA-N 1 2 240.307 0.257 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCCC2)C1 ZINC000334908233 386982412 /nfs/dbraw/zinc/98/24/12/386982412.db2.gz MGAVGSKWJZEXDP-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CCCC2)C1 ZINC000334908233 386982414 /nfs/dbraw/zinc/98/24/14/386982414.db2.gz MGAVGSKWJZEXDP-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccn(C)n1 ZINC000331184311 386984597 /nfs/dbraw/zinc/98/45/97/386984597.db2.gz TXWPEVXEMBRQIK-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccn(C)n1 ZINC000331184311 386984604 /nfs/dbraw/zinc/98/46/04/386984604.db2.gz TXWPEVXEMBRQIK-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000358586466 386985595 /nfs/dbraw/zinc/98/55/95/386985595.db2.gz BIMRCJXXVHDZKI-UHFFFAOYSA-N 1 2 233.275 0.670 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000334911970 386985588 /nfs/dbraw/zinc/98/55/88/386985588.db2.gz IVNFEZIJVYBGPI-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CC2)s1 ZINC000358622108 386988617 /nfs/dbraw/zinc/98/86/17/386988617.db2.gz BIATZKDUEVUZDO-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CC2)s1 ZINC000358622108 386988621 /nfs/dbraw/zinc/98/86/21/386988621.db2.gz BIATZKDUEVUZDO-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528386449 386990097 /nfs/dbraw/zinc/99/00/97/386990097.db2.gz ICMYDRPIZZWVEE-QSADENFPSA-N 1 2 246.738 0.966 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528386449 386990104 /nfs/dbraw/zinc/99/01/04/386990104.db2.gz ICMYDRPIZZWVEE-QSADENFPSA-N 1 2 246.738 0.966 20 0 BCADLO COC[C@@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCO1 ZINC000331222085 386992884 /nfs/dbraw/zinc/99/28/84/386992884.db2.gz CIYGPGSGLZUWLK-NXEZZACHSA-N 1 2 241.291 0.662 20 0 BCADLO CCOC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332610429 386993526 /nfs/dbraw/zinc/99/35/26/386993526.db2.gz CYNIQXSUMHULIG-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CCOC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332610429 386993535 /nfs/dbraw/zinc/99/35/35/386993535.db2.gz CYNIQXSUMHULIG-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)CC(C)(C)O ZINC000331281229 386994288 /nfs/dbraw/zinc/99/42/88/386994288.db2.gz FVTCWMKPKUUKKW-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)CC(C)(C)O ZINC000331281229 386994294 /nfs/dbraw/zinc/99/42/94/386994294.db2.gz FVTCWMKPKUUKKW-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO CN(Cc1nc[nH]n1)Cc1c[nH+]c(N(C)C)n1C ZINC000331241346 386997172 /nfs/dbraw/zinc/99/71/72/386997172.db2.gz MUWFAIXQSDPICX-UHFFFAOYSA-N 1 2 249.322 0.236 20 0 BCADLO CN(Cc1c[nH+]c(N(C)C)n1C)Cc1nnc[nH]1 ZINC000331241346 386997174 /nfs/dbraw/zinc/99/71/74/386997174.db2.gz MUWFAIXQSDPICX-UHFFFAOYSA-N 1 2 249.322 0.236 20 0 BCADLO Cn1nccc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334920240 386997406 /nfs/dbraw/zinc/99/74/06/386997406.db2.gz UHHMDEZSKVGVQE-LLVKDONJSA-N 1 2 234.303 0.227 20 0 BCADLO Cn1nccc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334920240 386997408 /nfs/dbraw/zinc/99/74/08/386997408.db2.gz UHHMDEZSKVGVQE-LLVKDONJSA-N 1 2 234.303 0.227 20 0 BCADLO COC[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCCO1 ZINC000331254042 386999026 /nfs/dbraw/zinc/99/90/26/386999026.db2.gz WKWSRDABXTWXCR-QWRGUYRKSA-N 1 2 237.303 0.760 20 0 BCADLO C[N@H+](CCCO)Cc1nnnn1C(C)(C)C ZINC000331309400 387001008 /nfs/dbraw/zinc/00/10/08/387001008.db2.gz UHCJDJGSLQNXCE-UHFFFAOYSA-N 1 2 227.312 0.242 20 0 BCADLO C[N@@H+](CCCO)Cc1nnnn1C(C)(C)C ZINC000331309400 387001011 /nfs/dbraw/zinc/00/10/11/387001011.db2.gz UHCJDJGSLQNXCE-UHFFFAOYSA-N 1 2 227.312 0.242 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000332724607 387005742 /nfs/dbraw/zinc/00/57/42/387005742.db2.gz SDTPSBVXWDMDAY-NSHDSACASA-N 1 2 240.307 0.482 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000332724607 387005749 /nfs/dbraw/zinc/00/57/49/387005749.db2.gz SDTPSBVXWDMDAY-NSHDSACASA-N 1 2 240.307 0.482 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC000331041193 386948188 /nfs/dbraw/zinc/94/81/88/386948188.db2.gz DFPFVCMQXARBGN-JTQLQIEISA-N 1 2 239.319 0.582 20 0 BCADLO O=C1NC[C@H]2C[N@H+](CC(F)F)CC[C@H]12 ZINC000368242874 386951574 /nfs/dbraw/zinc/95/15/74/386951574.db2.gz RICCAOLMAHWXBS-BQBZGAKWSA-N 1 2 204.220 0.319 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](CC(F)F)CC[C@H]12 ZINC000368242874 386951577 /nfs/dbraw/zinc/95/15/77/386951577.db2.gz RICCAOLMAHWXBS-BQBZGAKWSA-N 1 2 204.220 0.319 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000333458519 387037379 /nfs/dbraw/zinc/03/73/79/387037379.db2.gz LCXVVMGRFJSJKO-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000333458519 387037382 /nfs/dbraw/zinc/03/73/82/387037382.db2.gz LCXVVMGRFJSJKO-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)COCC(C)C ZINC000118002654 387037673 /nfs/dbraw/zinc/03/76/73/387037673.db2.gz SYAOUFOSUPGUAC-JTQLQIEISA-N 1 2 247.335 0.561 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnn1CC(C)C ZINC000648027910 387044430 /nfs/dbraw/zinc/04/44/30/387044430.db2.gz GPFKNBPXZOMGPP-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnn1CC(C)C ZINC000648027910 387044434 /nfs/dbraw/zinc/04/44/34/387044434.db2.gz GPFKNBPXZOMGPP-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1CCC1 ZINC000359022022 387045438 /nfs/dbraw/zinc/04/54/38/387045438.db2.gz UORJHQQXJWRLMA-SNVBAGLBSA-N 1 2 248.286 0.673 20 0 BCADLO O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1CCC1 ZINC000359022022 387045443 /nfs/dbraw/zinc/04/54/43/387045443.db2.gz UORJHQQXJWRLMA-SNVBAGLBSA-N 1 2 248.286 0.673 20 0 BCADLO Cc1nc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc[nH+]1 ZINC000228094357 387066891 /nfs/dbraw/zinc/06/68/91/387066891.db2.gz NONSYIMDTBUQGV-HBNTYKKESA-N 1 2 219.288 0.992 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000369504248 387051268 /nfs/dbraw/zinc/05/12/68/387051268.db2.gz SFMACYOCZYNHQA-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000369504248 387051271 /nfs/dbraw/zinc/05/12/71/387051271.db2.gz SFMACYOCZYNHQA-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO COc1ncncc1C[N@@H+]1CCOCC12CC2 ZINC000648032057 387052378 /nfs/dbraw/zinc/05/23/78/387052378.db2.gz SPXBZARSDGPIAW-UHFFFAOYSA-N 1 2 235.287 0.850 20 0 BCADLO COc1ncncc1C[N@H+]1CCOCC12CC2 ZINC000648032057 387052383 /nfs/dbraw/zinc/05/23/83/387052383.db2.gz SPXBZARSDGPIAW-UHFFFAOYSA-N 1 2 235.287 0.850 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)C ZINC000359085426 387054208 /nfs/dbraw/zinc/05/42/08/387054208.db2.gz IRPRKLYHHMXXAI-LLVKDONJSA-N 1 2 241.379 0.785 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCCn2cc[nH+]c2)C1(F)F ZINC000359100747 387055680 /nfs/dbraw/zinc/05/56/80/387055680.db2.gz JBIXILFDNZQQPT-HTQZYQBOSA-N 1 2 229.230 0.901 20 0 BCADLO CC[C@@](COC)([NH2+]CCCF)C(=O)OC ZINC000459580790 387067293 /nfs/dbraw/zinc/06/72/93/387067293.db2.gz BORUOZHDUCACBT-JTQLQIEISA-N 1 2 221.272 0.904 20 0 BCADLO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000104778670 387009751 /nfs/dbraw/zinc/00/97/51/387009751.db2.gz ZBYZMUWUYPGKCW-MWLCHTKSSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000104778670 387009754 /nfs/dbraw/zinc/00/97/54/387009754.db2.gz ZBYZMUWUYPGKCW-MWLCHTKSSA-N 1 2 241.335 0.415 20 0 BCADLO Cc1ccnc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000331298416 387009922 /nfs/dbraw/zinc/00/99/22/387009922.db2.gz UZTHMJYAYRHIOR-GHMZBOCLSA-N 1 2 239.319 0.349 20 0 BCADLO Cc1ccnc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000331298416 387009926 /nfs/dbraw/zinc/00/99/26/387009926.db2.gz UZTHMJYAYRHIOR-GHMZBOCLSA-N 1 2 239.319 0.349 20 0 BCADLO CC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000331297295 387010023 /nfs/dbraw/zinc/01/00/23/387010023.db2.gz NIOLXVDITFCSGU-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000331297295 387010027 /nfs/dbraw/zinc/01/00/27/387010027.db2.gz NIOLXVDITFCSGU-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)s1 ZINC000331297703 387010146 /nfs/dbraw/zinc/01/01/46/387010146.db2.gz UONXHBJNPPVURS-SFYZADRCSA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](C)O)[C@H](C)CO)s1 ZINC000331297703 387010149 /nfs/dbraw/zinc/01/01/49/387010149.db2.gz UONXHBJNPPVURS-SFYZADRCSA-N 1 2 245.348 0.410 20 0 BCADLO CCO[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000519095505 387011229 /nfs/dbraw/zinc/01/12/29/387011229.db2.gz XOFGLPJLFVYUOM-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000425371606 387012535 /nfs/dbraw/zinc/01/25/35/387012535.db2.gz HJJNWQARNPZIHC-UHFFFAOYSA-N 1 2 237.303 0.723 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3CCOC[C@@H]3C2)o1 ZINC000368822813 387013704 /nfs/dbraw/zinc/01/37/04/387013704.db2.gz GPZPRXSFYQOOPY-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3CCOC[C@@H]3C2)o1 ZINC000368822813 387013710 /nfs/dbraw/zinc/01/37/10/387013710.db2.gz GPZPRXSFYQOOPY-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cncnc2)C1 ZINC000425374442 387013987 /nfs/dbraw/zinc/01/39/87/387013987.db2.gz QBORYKXUKVJVFA-UHFFFAOYSA-N 1 2 221.260 0.472 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2ccc(C)nn2)C1 ZINC000425374054 387014865 /nfs/dbraw/zinc/01/48/65/387014865.db2.gz OJNBQJOLKLBPCR-UHFFFAOYSA-N 1 2 235.287 0.780 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CCN(C(C)=O)C1)C1CC1 ZINC000358804276 387015188 /nfs/dbraw/zinc/01/51/88/387015188.db2.gz DPLKYHDEEWBEKQ-QWRGUYRKSA-N 1 2 240.303 0.148 20 0 BCADLO Cn1nncc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000368881992 387016807 /nfs/dbraw/zinc/01/68/07/387016807.db2.gz KERPCYVPFHEBFC-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1csnn1 ZINC000333095337 387018207 /nfs/dbraw/zinc/01/82/07/387018207.db2.gz UHBTXJQZIYWVBR-RQJHMYQMSA-N 1 2 226.305 0.467 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@](F)(CO)C2)CCN1C1CC1 ZINC000334943332 387020143 /nfs/dbraw/zinc/02/01/43/387020143.db2.gz MUKDMJUCNKPPDU-ZYHUDNBSSA-N 1 2 242.294 0.156 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@](F)(CO)C2)CCN1C1CC1 ZINC000334943332 387020148 /nfs/dbraw/zinc/02/01/48/387020148.db2.gz MUKDMJUCNKPPDU-ZYHUDNBSSA-N 1 2 242.294 0.156 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105898928 387021562 /nfs/dbraw/zinc/02/15/62/387021562.db2.gz JJEVKRNBKGNJIR-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105898928 387021564 /nfs/dbraw/zinc/02/15/64/387021564.db2.gz JJEVKRNBKGNJIR-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369094478 387026790 /nfs/dbraw/zinc/02/67/90/387026790.db2.gz JGOIBRORDZNPLT-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369094478 387026794 /nfs/dbraw/zinc/02/67/94/387026794.db2.gz JGOIBRORDZNPLT-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)cnn1C ZINC000070651508 387071320 /nfs/dbraw/zinc/07/13/20/387071320.db2.gz CSSLAGDGUGFBFM-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CS[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000336237182 387073256 /nfs/dbraw/zinc/07/32/56/387073256.db2.gz QQFRXFUIEJCPHD-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO CS[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000336237182 387073259 /nfs/dbraw/zinc/07/32/59/387073259.db2.gz QQFRXFUIEJCPHD-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336236488 387073473 /nfs/dbraw/zinc/07/34/73/387073473.db2.gz PLBKYXNNYGOYEE-JTQLQIEISA-N 1 2 222.292 0.012 20 0 BCADLO Cc1cnn(CC[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336236488 387073477 /nfs/dbraw/zinc/07/34/77/387073477.db2.gz PLBKYXNNYGOYEE-JTQLQIEISA-N 1 2 222.292 0.012 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCC[NH+]2CCOCC2)C1(F)F ZINC000359261781 387074580 /nfs/dbraw/zinc/07/45/80/387074580.db2.gz AWHDXVVZUGLPFG-IUCAKERBSA-N 1 2 248.273 0.336 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOCC2)C1(F)F ZINC000359261782 387074896 /nfs/dbraw/zinc/07/48/96/387074896.db2.gz AWHDXVVZUGLPFG-RKDXNWHRSA-N 1 2 248.273 0.336 20 0 BCADLO Cn1ccc(C[N@@H+]2CCSC[C@H]2CO)n1 ZINC000334988381 387076775 /nfs/dbraw/zinc/07/67/75/387076775.db2.gz QESWDDAABJTHGA-SNVBAGLBSA-N 1 2 227.333 0.330 20 0 BCADLO Cn1ccc(C[N@H+]2CCSC[C@H]2CO)n1 ZINC000334988381 387076782 /nfs/dbraw/zinc/07/67/82/387076782.db2.gz QESWDDAABJTHGA-SNVBAGLBSA-N 1 2 227.333 0.330 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000336259812 387090643 /nfs/dbraw/zinc/09/06/43/387090643.db2.gz UWTAHTWPXZXTKJ-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000336259812 387090644 /nfs/dbraw/zinc/09/06/44/387090644.db2.gz UWTAHTWPXZXTKJ-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cc(C)nn2C)C1 ZINC000418087048 387094846 /nfs/dbraw/zinc/09/48/46/387094846.db2.gz FWZGKYVXENOOJO-UHFFFAOYSA-N 1 2 236.319 0.296 20 0 BCADLO C[C@H](F)CC[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000352360299 387113272 /nfs/dbraw/zinc/11/32/72/387113272.db2.gz FONUXJZYJRZHHI-XLPZGREQSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@H](F)CC[N@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000352360299 387113275 /nfs/dbraw/zinc/11/32/75/387113275.db2.gz FONUXJZYJRZHHI-XLPZGREQSA-N 1 2 206.236 0.632 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)O)CC2 ZINC000370447826 387115985 /nfs/dbraw/zinc/11/59/85/387115985.db2.gz QVYADLCGRVVSTR-UHFFFAOYSA-N 1 2 223.276 0.305 20 0 BCADLO Cc1nc(C[N@@H+](C)CC2(C)COC2)no1 ZINC000359533301 387119326 /nfs/dbraw/zinc/11/93/26/387119326.db2.gz YBHZTCOYGJVERT-UHFFFAOYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nc(C[N@H+](C)CC2(C)COC2)no1 ZINC000359533301 387119333 /nfs/dbraw/zinc/11/93/33/387119333.db2.gz YBHZTCOYGJVERT-UHFFFAOYSA-N 1 2 211.265 0.846 20 0 BCADLO O=C(C[N@@H+]1CCC[C@]12CCOC2=O)NC1CC1 ZINC000186668534 387119489 /nfs/dbraw/zinc/11/94/89/387119489.db2.gz OSTHUVCPFYDMKX-GFCCVEGCSA-N 1 2 238.287 0.047 20 0 BCADLO O=C(C[N@H+]1CCC[C@]12CCOC2=O)NC1CC1 ZINC000186668534 387119493 /nfs/dbraw/zinc/11/94/93/387119493.db2.gz OSTHUVCPFYDMKX-GFCCVEGCSA-N 1 2 238.287 0.047 20 0 BCADLO O=C(N[C@@H]1CC[NH2+]C1)c1cc(F)c(O)c(F)c1 ZINC000335027599 387120474 /nfs/dbraw/zinc/12/04/74/387120474.db2.gz HLALRHGCLZVRAE-SSDOTTSWSA-N 1 2 242.225 0.762 20 0 BCADLO COCCC[N@H+](CCO)Cc1csnn1 ZINC000188928509 387126805 /nfs/dbraw/zinc/12/68/05/387126805.db2.gz QKKOIDVZIOSAQK-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO COCCC[N@@H+](CCO)Cc1csnn1 ZINC000188928509 387126809 /nfs/dbraw/zinc/12/68/09/387126809.db2.gz QKKOIDVZIOSAQK-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCO[C@@H](C)[C@H]1C(N)=O ZINC000352376248 387129508 /nfs/dbraw/zinc/12/95/08/387129508.db2.gz MEAHDPUSFXLPLB-CIUDSAMLSA-N 1 2 218.272 0.309 20 0 BCADLO C[C@H](F)CC[N@H+]1CCO[C@@H](C)[C@H]1C(N)=O ZINC000352376248 387129511 /nfs/dbraw/zinc/12/95/11/387129511.db2.gz MEAHDPUSFXLPLB-CIUDSAMLSA-N 1 2 218.272 0.309 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)NC1CCCC1 ZINC000057753571 387141467 /nfs/dbraw/zinc/14/14/67/387141467.db2.gz XJBKMAVMNRSPJP-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000057753571 387141471 /nfs/dbraw/zinc/14/14/71/387141471.db2.gz XJBKMAVMNRSPJP-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)Cn1cccn1)C2 ZINC000370745793 387141429 /nfs/dbraw/zinc/14/14/29/387141429.db2.gz VAECTNIKMLFYEG-UHFFFAOYSA-N 1 2 245.286 0.202 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)COC(F)F ZINC000352388429 387143354 /nfs/dbraw/zinc/14/33/54/387143354.db2.gz PNNOLHCHFSZJKU-UHFFFAOYSA-N 1 2 216.187 0.990 20 0 BCADLO Cn1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1 ZINC000371139670 387149973 /nfs/dbraw/zinc/14/99/73/387149973.db2.gz MVZCFHCHMPNUPN-JTQLQIEISA-N 1 2 231.303 0.790 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)[C@@H]1CCSC1 ZINC000120053098 387150903 /nfs/dbraw/zinc/15/09/03/387150903.db2.gz QVZAKLTUKDMPNQ-SECBINFHSA-N 1 2 239.348 0.945 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)[C@@H]1CCSC1 ZINC000120053098 387150909 /nfs/dbraw/zinc/15/09/09/387150909.db2.gz QVZAKLTUKDMPNQ-SECBINFHSA-N 1 2 239.348 0.945 20 0 BCADLO Cn1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1 ZINC000371139676 387151277 /nfs/dbraw/zinc/15/12/77/387151277.db2.gz MVZCFHCHMPNUPN-SNVBAGLBSA-N 1 2 231.303 0.790 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371335003 387192977 /nfs/dbraw/zinc/19/29/77/387192977.db2.gz IHXJLBVNPMMTAG-LLVKDONJSA-N 1 2 235.287 0.662 20 0 BCADLO Cn1cccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371335003 387192983 /nfs/dbraw/zinc/19/29/83/387192983.db2.gz IHXJLBVNPMMTAG-LLVKDONJSA-N 1 2 235.287 0.662 20 0 BCADLO COCC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000571764398 387163899 /nfs/dbraw/zinc/16/38/99/387163899.db2.gz XEHHQCPUTXJBJQ-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO c1cn(CCNc2cncc3nncn32)c[nH+]1 ZINC000352414723 387167333 /nfs/dbraw/zinc/16/73/33/387167333.db2.gz JNGZALKJAVEYOM-UHFFFAOYSA-N 1 2 229.247 0.433 20 0 BCADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000353296442 387172954 /nfs/dbraw/zinc/17/29/54/387172954.db2.gz BJQOLWGFXCQNGT-SFYZADRCSA-N 1 2 213.285 0.238 20 0 BCADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000353296442 387172957 /nfs/dbraw/zinc/17/29/57/387172957.db2.gz BJQOLWGFXCQNGT-SFYZADRCSA-N 1 2 213.285 0.238 20 0 BCADLO Cc1cccc(C[NH2+][C@@]2(C(N)=O)CCOC2)n1 ZINC000571818637 387178019 /nfs/dbraw/zinc/17/80/19/387178019.db2.gz SEDZGWHJEBGYBM-LBPRGKRZSA-N 1 2 235.287 0.124 20 0 BCADLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)on1 ZINC000359878200 387181514 /nfs/dbraw/zinc/18/15/14/387181514.db2.gz LGXJXHSIEWILEO-UHFFFAOYSA-N 1 2 236.231 0.645 20 0 BCADLO CCOCC[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193255722 387186085 /nfs/dbraw/zinc/18/60/85/387186085.db2.gz PFLHQYPRYQCPJW-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO COC[C@@H]([NH2+]CC(F)(F)CN)C(C)C ZINC000423340242 387187717 /nfs/dbraw/zinc/18/77/17/387187717.db2.gz JEBARUYJTXYWGQ-MRVPVSSYSA-N 1 2 210.268 0.841 20 0 BCADLO CC[N@H+](CCOCCOC)Cc1cn(C)nn1 ZINC000359631470 387137568 /nfs/dbraw/zinc/13/75/68/387137568.db2.gz CADRJLWQMRWFGU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CC[N@@H+](CCOCCOC)Cc1cn(C)nn1 ZINC000359631470 387137570 /nfs/dbraw/zinc/13/75/70/387137570.db2.gz CADRJLWQMRWFGU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCC1(O)CCC1 ZINC000284656867 387207938 /nfs/dbraw/zinc/20/79/38/387207938.db2.gz LKTGLTWIAXIKPY-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000353467600 387208429 /nfs/dbraw/zinc/20/84/29/387208429.db2.gz CDXBRMOTWCSAEL-UWVGGRQHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000353467600 387208435 /nfs/dbraw/zinc/20/84/35/387208435.db2.gz CDXBRMOTWCSAEL-UWVGGRQHSA-N 1 2 212.249 0.175 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H]2F)C1 ZINC000424625832 387225144 /nfs/dbraw/zinc/22/51/44/387225144.db2.gz LJVCANAJRFPEDR-WCABBAIRSA-N 1 2 230.283 0.181 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H]2F)C1 ZINC000424625832 387225147 /nfs/dbraw/zinc/22/51/47/387225147.db2.gz LJVCANAJRFPEDR-WCABBAIRSA-N 1 2 230.283 0.181 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000230010975 387226477 /nfs/dbraw/zinc/22/64/77/387226477.db2.gz XBUZZLLNPQAQMD-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000230010975 387226483 /nfs/dbraw/zinc/22/64/83/387226483.db2.gz XBUZZLLNPQAQMD-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000572062676 387227348 /nfs/dbraw/zinc/22/73/48/387227348.db2.gz BRHPOHAEZIYZCE-UHFFFAOYSA-N 1 2 241.379 0.881 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000572062676 387227352 /nfs/dbraw/zinc/22/73/52/387227352.db2.gz BRHPOHAEZIYZCE-UHFFFAOYSA-N 1 2 241.379 0.881 20 0 BCADLO CC[C@@H]1OCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000572048656 387227756 /nfs/dbraw/zinc/22/77/56/387227756.db2.gz MYPHMBDSTBVYAK-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO Cn1cc[nH+]c1CNc1cncc2nncn21 ZINC000360115971 387230258 /nfs/dbraw/zinc/23/02/58/387230258.db2.gz FYLUHXTYNVWEND-UHFFFAOYSA-N 1 2 229.247 0.470 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000360143803 387231869 /nfs/dbraw/zinc/23/18/69/387231869.db2.gz RIFUJTOKPKFORZ-NXEZZACHSA-N 1 2 239.319 0.955 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424655270 387237302 /nfs/dbraw/zinc/23/73/02/387237302.db2.gz ZYQDJOPYTISGRQ-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424655270 387237305 /nfs/dbraw/zinc/23/73/05/387237305.db2.gz ZYQDJOPYTISGRQ-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO Cn1cnc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000230170087 387237718 /nfs/dbraw/zinc/23/77/18/387237718.db2.gz CGEWSGVNLJGNMC-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO COC(=O)CCN1CCn2cc(C)[nH+]c2C1 ZINC000371699008 387242030 /nfs/dbraw/zinc/24/20/30/387242030.db2.gz BYEXHCIKNTUORG-UHFFFAOYSA-N 1 2 223.276 0.570 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000424663472 387242323 /nfs/dbraw/zinc/24/23/23/387242323.db2.gz ZSDSKCJUAPVXJE-CMPLNLGQSA-N 1 2 244.310 0.525 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000360220538 387244794 /nfs/dbraw/zinc/24/47/94/387244794.db2.gz IIXZUSUSEYVYML-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CO[C@H](C)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000360220538 387244798 /nfs/dbraw/zinc/24/47/98/387244798.db2.gz IIXZUSUSEYVYML-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000336420471 387249946 /nfs/dbraw/zinc/24/99/46/387249946.db2.gz URYJAMFHUUWGLS-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000336420471 387249953 /nfs/dbraw/zinc/24/99/53/387249953.db2.gz URYJAMFHUUWGLS-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791546 387195133 /nfs/dbraw/zinc/19/51/33/387195133.db2.gz NSRKBUFDKGSKNA-GHMZBOCLSA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791546 387195139 /nfs/dbraw/zinc/19/51/39/387195139.db2.gz NSRKBUFDKGSKNA-GHMZBOCLSA-N 1 2 242.319 0.539 20 0 BCADLO CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000371338364 387196853 /nfs/dbraw/zinc/19/68/53/387196853.db2.gz BKVHUUKZUBRDNC-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000371338364 387196859 /nfs/dbraw/zinc/19/68/59/387196859.db2.gz BKVHUUKZUBRDNC-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO Cn1nncc1C[N@H+](CCO)Cc1cccnc1 ZINC000353415018 387197309 /nfs/dbraw/zinc/19/73/09/387197309.db2.gz DOJYVSZSGIJGLS-UHFFFAOYSA-N 1 2 247.302 0.205 20 0 BCADLO Cn1nncc1C[N@@H+](CCO)Cc1cccnc1 ZINC000353415018 387197311 /nfs/dbraw/zinc/19/73/11/387197311.db2.gz DOJYVSZSGIJGLS-UHFFFAOYSA-N 1 2 247.302 0.205 20 0 BCADLO CCn1ccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000571925684 387198563 /nfs/dbraw/zinc/19/85/63/387198563.db2.gz ZEIGCXNZUKBVIB-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364646 387198981 /nfs/dbraw/zinc/19/89/81/387198981.db2.gz OTPNXJIXDFKJMI-DTWKUNHWSA-N 1 2 237.303 0.808 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364646 387198984 /nfs/dbraw/zinc/19/89/84/387198984.db2.gz OTPNXJIXDFKJMI-DTWKUNHWSA-N 1 2 237.303 0.808 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000360578243 387311526 /nfs/dbraw/zinc/31/15/26/387311526.db2.gz CVYCQHCOLNXMLX-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H](C(=O)N[C@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000336485376 387314772 /nfs/dbraw/zinc/31/47/72/387314772.db2.gz XONIIRQSZKJAQP-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO O=C(Nc1cnns1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000188183464 387255967 /nfs/dbraw/zinc/25/59/67/387255967.db2.gz WXNMGSYNMWVHLO-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H](O)C(F)F ZINC000230234679 387263271 /nfs/dbraw/zinc/26/32/71/387263271.db2.gz HDXGOQACOFTDOT-ZETCQYMHSA-N 1 2 233.218 0.015 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1ncccc1O ZINC000352510951 387266841 /nfs/dbraw/zinc/26/68/41/387266841.db2.gz VWJFOWCWNLYOGR-UHFFFAOYSA-N 1 2 246.270 0.690 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1c(F)cncc1F ZINC000285666080 387267182 /nfs/dbraw/zinc/26/71/82/387267182.db2.gz MJJNBFQAOCFNSC-RITPCOANSA-N 1 2 229.230 0.884 20 0 BCADLO C[C@H](CNC(=O)C[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000352505413 387267825 /nfs/dbraw/zinc/26/78/25/387267825.db2.gz BJPXQUYXGUWYQK-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](CC(=O)NCCn1cccn1)n1cc[nH+]c1 ZINC000568015099 322810298 /nfs/dbraw/zinc/81/02/98/322810298.db2.gz YSFKJYBVNVXURR-LLVKDONJSA-N 1 2 247.302 0.847 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncn(C)n1 ZINC000514739886 387283810 /nfs/dbraw/zinc/28/38/10/387283810.db2.gz WQRLGMQGKGEKSX-ZETCQYMHSA-N 1 2 234.263 0.356 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ncn(C)n1 ZINC000514739886 387283814 /nfs/dbraw/zinc/28/38/14/387283814.db2.gz WQRLGMQGKGEKSX-ZETCQYMHSA-N 1 2 234.263 0.356 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000372339851 387290964 /nfs/dbraw/zinc/29/09/64/387290964.db2.gz WYYDICXMGNNCBO-ONGXEEELSA-N 1 2 240.303 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000372339851 387290968 /nfs/dbraw/zinc/29/09/68/387290968.db2.gz WYYDICXMGNNCBO-ONGXEEELSA-N 1 2 240.303 0.102 20 0 BCADLO COc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000514827530 387292608 /nfs/dbraw/zinc/29/26/08/387292608.db2.gz XUBBCWMVPFIPNW-SSDOTTSWSA-N 1 2 249.274 0.643 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336463799 387293090 /nfs/dbraw/zinc/29/30/90/387293090.db2.gz CONAZVSGPUFHAT-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336463799 387293098 /nfs/dbraw/zinc/29/30/98/387293098.db2.gz CONAZVSGPUFHAT-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000372350288 387294125 /nfs/dbraw/zinc/29/41/25/387294125.db2.gz WOMCTECKJQQPRC-GXSJLCMTSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000372349243 387294232 /nfs/dbraw/zinc/29/42/32/387294232.db2.gz SBSRCZKNHKNPAV-ONGXEEELSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000372349243 387294237 /nfs/dbraw/zinc/29/42/37/387294237.db2.gz SBSRCZKNHKNPAV-ONGXEEELSA-N 1 2 235.287 0.558 20 0 BCADLO CC(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858355 387294610 /nfs/dbraw/zinc/29/46/10/387294610.db2.gz XERPWBVDDJCFGL-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858355 387294615 /nfs/dbraw/zinc/29/46/15/387294615.db2.gz XERPWBVDDJCFGL-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO COCC[C@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000360596920 387318568 /nfs/dbraw/zinc/31/85/68/387318568.db2.gz OFRFOBSXBZOTDX-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO CC(C)(C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000336474531 387302735 /nfs/dbraw/zinc/30/27/35/387302735.db2.gz LIYPPXSZUJGPQV-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000514932127 387308188 /nfs/dbraw/zinc/30/81/88/387308188.db2.gz DNFARQXLPKBMMO-QXFUBDJGSA-N 1 2 235.287 0.469 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000514932127 387308191 /nfs/dbraw/zinc/30/81/91/387308191.db2.gz DNFARQXLPKBMMO-QXFUBDJGSA-N 1 2 235.287 0.469 20 0 BCADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000248860682 387365288 /nfs/dbraw/zinc/36/52/88/387365288.db2.gz AEEMGLHQCCXMFF-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000248860682 387365291 /nfs/dbraw/zinc/36/52/91/387365291.db2.gz AEEMGLHQCCXMFF-RKDXNWHRSA-N 1 2 225.296 0.382 20 0 BCADLO Cc1ccncc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266091160 387366888 /nfs/dbraw/zinc/36/68/88/387366888.db2.gz DSKBTJCLGKTJOW-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccncc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266091160 387366892 /nfs/dbraw/zinc/36/68/92/387366892.db2.gz DSKBTJCLGKTJOW-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cc(CN(C)C(=O)Cn2cc[nH+]c2)no1 ZINC000515361171 387367761 /nfs/dbraw/zinc/36/77/61/387367761.db2.gz XMKCFIZIZOCIKT-UHFFFAOYSA-N 1 2 234.259 0.838 20 0 BCADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC(N)=O)C2 ZINC000336545196 387368378 /nfs/dbraw/zinc/36/83/78/387368378.db2.gz WHGCKSYERQIQIN-UHFFFAOYSA-N 1 2 233.271 0.506 20 0 BCADLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC(N)=O)C2 ZINC000336545196 387368382 /nfs/dbraw/zinc/36/83/82/387368382.db2.gz WHGCKSYERQIQIN-UHFFFAOYSA-N 1 2 233.271 0.506 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cccc3c2OCO3)n1 ZINC000290097405 387369689 /nfs/dbraw/zinc/36/96/89/387369689.db2.gz JZHFMVPAJSCYBF-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO Cc1nc(N2CCC(F)(F)C2)nc(N)[nH+]1 ZINC000313463952 387376934 /nfs/dbraw/zinc/37/69/34/387376934.db2.gz WXIHRBALLZNBAB-UHFFFAOYSA-N 1 2 215.207 0.608 20 0 BCADLO Cc1nc(N)nc(N2CCC(F)(F)C2)[nH+]1 ZINC000313463952 387376939 /nfs/dbraw/zinc/37/69/39/387376939.db2.gz WXIHRBALLZNBAB-UHFFFAOYSA-N 1 2 215.207 0.608 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CNC(=O)C2)cc[nH+]1 ZINC000373523758 387377922 /nfs/dbraw/zinc/37/79/22/387377922.db2.gz YHKJUZFYSHANHY-GFCCVEGCSA-N 1 2 233.271 0.277 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)OC)C1CC1 ZINC000303549785 387378148 /nfs/dbraw/zinc/37/81/48/387378148.db2.gz HWULPLIDUHOLQS-VIFPVBQESA-N 1 2 243.303 0.727 20 0 BCADLO Cn1ncc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000287172831 387379870 /nfs/dbraw/zinc/37/98/70/387379870.db2.gz UQQNXBJWEQNVOD-GFCCVEGCSA-N 1 2 232.287 0.638 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000360606440 387320150 /nfs/dbraw/zinc/32/01/50/387320150.db2.gz CWAMKEIQAHWVTQ-BDAKNGLRSA-N 1 2 225.267 0.920 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360606441 387320692 /nfs/dbraw/zinc/32/06/92/387320692.db2.gz CWAMKEIQAHWVTQ-DTWKUNHWSA-N 1 2 225.267 0.920 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372735778 387325856 /nfs/dbraw/zinc/32/58/56/387325856.db2.gz GSKHOKMBVSXAHS-NXEZZACHSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccon1 ZINC000390433155 387326742 /nfs/dbraw/zinc/32/67/42/387326742.db2.gz AXHMCCVTNONLHZ-DTWKUNHWSA-N 1 2 244.316 0.902 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccon1 ZINC000390433154 387326788 /nfs/dbraw/zinc/32/67/88/387326788.db2.gz AXHMCCVTNONLHZ-BDAKNGLRSA-N 1 2 244.316 0.902 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C(N)=O ZINC000354104881 387330598 /nfs/dbraw/zinc/33/05/98/387330598.db2.gz UAAFQJUKLAHXLS-SNVBAGLBSA-N 1 2 248.286 0.294 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000423485063 387331102 /nfs/dbraw/zinc/33/11/02/387331102.db2.gz TVRKADNZPWVVSO-MRVPVSSYSA-N 1 2 245.286 0.392 20 0 BCADLO CC(C)(O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372890653 387333893 /nfs/dbraw/zinc/33/38/93/387333893.db2.gz JCROCTOOOGNRGM-SECBINFHSA-N 1 2 237.303 0.887 20 0 BCADLO COC[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000354139219 387335627 /nfs/dbraw/zinc/33/56/27/387335627.db2.gz QVEKOJGZXMQYNL-ZJUUUORDSA-N 1 2 240.307 0.606 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CNC(=O)C2)c(C)c[nH+]1 ZINC000372931607 387336174 /nfs/dbraw/zinc/33/61/74/387336174.db2.gz YUPINKPNHKNNBJ-CYBMUJFWSA-N 1 2 247.298 0.585 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000286676078 387337146 /nfs/dbraw/zinc/33/71/46/387337146.db2.gz BYTHSLBHKQVQNO-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000286676078 387337149 /nfs/dbraw/zinc/33/71/49/387337149.db2.gz BYTHSLBHKQVQNO-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO CC(C)N(C)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000336514127 387337478 /nfs/dbraw/zinc/33/74/78/387337478.db2.gz HAPMUBWLCZDNLW-GHMZBOCLSA-N 1 2 228.336 0.962 20 0 BCADLO Cn1ccnc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000372971609 387338789 /nfs/dbraw/zinc/33/87/89/387338789.db2.gz DBFYEELUXJDXFC-NSHDSACASA-N 1 2 248.330 0.836 20 0 BCADLO Cn1ccnc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000372971609 387338796 /nfs/dbraw/zinc/33/87/96/387338796.db2.gz DBFYEELUXJDXFC-NSHDSACASA-N 1 2 248.330 0.836 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN1CC(=O)NC1CC1 ZINC000372971609 387338801 /nfs/dbraw/zinc/33/88/01/387338801.db2.gz DBFYEELUXJDXFC-NSHDSACASA-N 1 2 248.330 0.836 20 0 BCADLO C[N@@H+](Cc1cnccn1)C[C@H](O)C(F)(F)F ZINC000121439228 387351952 /nfs/dbraw/zinc/35/19/52/387351952.db2.gz ADBPUMLNMWZZAB-QMMMGPOBSA-N 1 2 235.209 0.832 20 0 BCADLO C[N@H+](Cc1cnccn1)C[C@H](O)C(F)(F)F ZINC000121439228 387351956 /nfs/dbraw/zinc/35/19/56/387351956.db2.gz ADBPUMLNMWZZAB-QMMMGPOBSA-N 1 2 235.209 0.832 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N(C)c2nncs2)C1 ZINC000572376905 387353825 /nfs/dbraw/zinc/35/38/25/387353825.db2.gz XEOCPESXSUQDPE-QMMMGPOBSA-N 1 2 240.332 0.843 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N(C)c2nncs2)C1 ZINC000572376905 387353831 /nfs/dbraw/zinc/35/38/31/387353831.db2.gz XEOCPESXSUQDPE-QMMMGPOBSA-N 1 2 240.332 0.843 20 0 BCADLO CN(C)c1ncc(CN(C)Cc2c[nH+]c[nH]2)cn1 ZINC000361312618 387437420 /nfs/dbraw/zinc/43/74/20/387437420.db2.gz URPSAWGRCNYQTD-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCO ZINC000374312639 387440186 /nfs/dbraw/zinc/44/01/86/387440186.db2.gz VZJKGSFVMWFIRX-SNVBAGLBSA-N 1 2 225.292 0.392 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCO ZINC000374312639 387440192 /nfs/dbraw/zinc/44/01/92/387440192.db2.gz VZJKGSFVMWFIRX-SNVBAGLBSA-N 1 2 225.292 0.392 20 0 BCADLO CCN(CCOCCO)c1cc(C)[nH+]cn1 ZINC000304201526 387448287 /nfs/dbraw/zinc/44/82/87/387448287.db2.gz NLNPKUUFPYLIGD-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2ccn(C)c2)n1 ZINC000354930616 387448494 /nfs/dbraw/zinc/44/84/94/387448494.db2.gz YOVZTYPJOSFEGY-UHFFFAOYSA-N 1 2 235.291 0.764 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)C1CC1 ZINC000373731805 387392626 /nfs/dbraw/zinc/39/26/26/387392626.db2.gz BIKWSTXCLLCRCM-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000572395841 387392925 /nfs/dbraw/zinc/39/29/25/387392925.db2.gz DMNVRGMTBFYFER-UHFFFAOYSA-N 1 2 248.286 0.243 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000572395841 387392931 /nfs/dbraw/zinc/39/29/31/387392931.db2.gz DMNVRGMTBFYFER-UHFFFAOYSA-N 1 2 248.286 0.243 20 0 BCADLO CCN(CC1CC1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000361047088 387393381 /nfs/dbraw/zinc/39/33/81/387393381.db2.gz AFOUDMQQBZGGHR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC1CC1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000361047088 387393390 /nfs/dbraw/zinc/39/33/90/387393390.db2.gz AFOUDMQQBZGGHR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC1CC1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000361047089 387394761 /nfs/dbraw/zinc/39/47/61/387394761.db2.gz AFOUDMQQBZGGHR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC1CC1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000361047089 387394765 /nfs/dbraw/zinc/39/47/65/387394765.db2.gz AFOUDMQQBZGGHR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCn1c[nH+]cc1[C@H]1NC(=O)CN1CC(C)C ZINC000515617801 387411115 /nfs/dbraw/zinc/41/11/15/387411115.db2.gz UNOSCTAIGAILST-LBPRGKRZSA-N 1 2 236.319 0.989 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000361199098 387411364 /nfs/dbraw/zinc/41/13/64/387411364.db2.gz OBJUNABSUXLVHN-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000374040419 387415283 /nfs/dbraw/zinc/41/52/83/387415283.db2.gz ROAJSCBQFUBXNX-NOZJJQNGSA-N 1 2 249.314 0.813 20 0 BCADLO Cn1cc(-c2noc(Cn3cc[nH+]c3)n2)cn1 ZINC000572421324 387417782 /nfs/dbraw/zinc/41/77/82/387417782.db2.gz FHWCTHAEVOLGLK-UHFFFAOYSA-N 1 2 230.231 0.715 20 0 BCADLO C[N@H+](Cc1cncs1)[C@@H]1CCNC1=O ZINC000355193120 387494371 /nfs/dbraw/zinc/49/43/71/387494371.db2.gz DWSIPBKVMGDFJD-MRVPVSSYSA-N 1 2 211.290 0.463 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@@H]1CCNC1=O ZINC000355193120 387494377 /nfs/dbraw/zinc/49/43/77/387494377.db2.gz DWSIPBKVMGDFJD-MRVPVSSYSA-N 1 2 211.290 0.463 20 0 BCADLO C[N@H+](Cc1cncs1)[C@H]1CCNC1=O ZINC000355193121 387495324 /nfs/dbraw/zinc/49/53/24/387495324.db2.gz DWSIPBKVMGDFJD-QMMMGPOBSA-N 1 2 211.290 0.463 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@H]1CCNC1=O ZINC000355193121 387495329 /nfs/dbraw/zinc/49/53/29/387495329.db2.gz DWSIPBKVMGDFJD-QMMMGPOBSA-N 1 2 211.290 0.463 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000572452969 387495312 /nfs/dbraw/zinc/49/53/12/387495312.db2.gz VROXXEHKWBFAQL-VXGBXAGGSA-N 1 2 249.314 0.768 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000572452967 387496182 /nfs/dbraw/zinc/49/61/82/387496182.db2.gz VROXXEHKWBFAQL-NWDGAFQWSA-N 1 2 249.314 0.768 20 0 BCADLO C[C@@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193486149 387542914 /nfs/dbraw/zinc/54/29/14/387542914.db2.gz LTQYZUYQERPFRB-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO C[C@@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193486149 387542918 /nfs/dbraw/zinc/54/29/18/387542918.db2.gz LTQYZUYQERPFRB-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO CC(C)[C@@H](NC(=O)Cn1cc[nH+]c1)c1ncon1 ZINC000355244981 387505137 /nfs/dbraw/zinc/50/51/37/387505137.db2.gz YNZYMPKWWSVSPU-SNVBAGLBSA-N 1 2 249.274 0.780 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC(C)C ZINC000361627253 387512959 /nfs/dbraw/zinc/51/29/59/387512959.db2.gz CZEDMMNEISSDMO-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC(C)C ZINC000361627253 387512962 /nfs/dbraw/zinc/51/29/62/387512962.db2.gz CZEDMMNEISSDMO-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC(C)C ZINC000361627254 387513304 /nfs/dbraw/zinc/51/33/04/387513304.db2.gz CZEDMMNEISSDMO-VHSXEESVSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC(C)C ZINC000361627254 387513308 /nfs/dbraw/zinc/51/33/08/387513308.db2.gz CZEDMMNEISSDMO-VHSXEESVSA-N 1 2 233.308 0.266 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000361639266 387514840 /nfs/dbraw/zinc/51/48/40/387514840.db2.gz NYLHGKFZSGKAJC-ZJUUUORDSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000361639266 387514843 /nfs/dbraw/zinc/51/48/43/387514843.db2.gz NYLHGKFZSGKAJC-ZJUUUORDSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COCC(C)C ZINC000361640038 387514946 /nfs/dbraw/zinc/51/49/46/387514946.db2.gz RQPGBORVPAEAEX-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000361640038 387514950 /nfs/dbraw/zinc/51/49/50/387514950.db2.gz RQPGBORVPAEAEX-GHMZBOCLSA-N 1 2 247.335 0.513 20 0 BCADLO O=C([C@H]1C[C@@H]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000304848530 387516991 /nfs/dbraw/zinc/51/69/91/387516991.db2.gz PZDFAQZTRNUJDP-NEPJUHHUSA-N 1 2 238.331 0.169 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000516521635 387518411 /nfs/dbraw/zinc/51/84/11/387518411.db2.gz SJXGAPFNCGRVBO-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO CC(C)N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000086166471 387519261 /nfs/dbraw/zinc/51/92/61/387519261.db2.gz WRUHKZXADIZHTR-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)no1 ZINC000375239736 387519758 /nfs/dbraw/zinc/51/97/58/387519758.db2.gz VMEMBQKONSZIFG-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)no1 ZINC000375239736 387519764 /nfs/dbraw/zinc/51/97/64/387519764.db2.gz VMEMBQKONSZIFG-LBPRGKRZSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1nc(N(C)CC2N=NC(=O)O2)cc[nH+]1 ZINC000425288140 387523651 /nfs/dbraw/zinc/52/36/51/387523651.db2.gz XNOCUPQKIQUVQH-UHFFFAOYSA-N 1 2 221.220 0.510 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(C(F)F)CC1 ZINC000361701804 387524268 /nfs/dbraw/zinc/52/42/68/387524268.db2.gz JHFPXRNCBHCCIG-UHFFFAOYSA-N 1 2 231.250 0.687 20 0 BCADLO CC(C)[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104779220 387524898 /nfs/dbraw/zinc/52/48/98/387524898.db2.gz QHJHTIHRWSJHKR-WDEREUQCSA-N 1 2 243.351 0.661 20 0 BCADLO CC(C)[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104779220 387524902 /nfs/dbraw/zinc/52/49/02/387524902.db2.gz QHJHTIHRWSJHKR-WDEREUQCSA-N 1 2 243.351 0.661 20 0 BCADLO C[C@H]1C[N@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000527234565 387544131 /nfs/dbraw/zinc/54/41/31/387544131.db2.gz BCYASBGWVAGRRV-DTWKUNHWSA-N 1 2 203.257 0.570 20 0 BCADLO C[C@H]1C[N@@H+](CC2(F)CC2)C[C@H](CO)O1 ZINC000527234565 387544135 /nfs/dbraw/zinc/54/41/35/387544135.db2.gz BCYASBGWVAGRRV-DTWKUNHWSA-N 1 2 203.257 0.570 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375336260 387529975 /nfs/dbraw/zinc/52/99/75/387529975.db2.gz ZQDXNEMATMBRDS-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000375336260 387529978 /nfs/dbraw/zinc/52/99/78/387529978.db2.gz ZQDXNEMATMBRDS-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CO[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000361778646 387533540 /nfs/dbraw/zinc/53/35/40/387533540.db2.gz HREQVSHCJYDUGB-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO CC[C@H](NC(=O)c1cn(C)nn1)c1[nH]cc[nH+]1 ZINC000310087666 387533629 /nfs/dbraw/zinc/53/36/29/387533629.db2.gz BOJPGFQNDLLQPL-ZETCQYMHSA-N 1 2 234.263 0.419 20 0 BCADLO CN(CCO)c1cccc(-n2cc[nH+]c2)n1 ZINC000361794671 387535825 /nfs/dbraw/zinc/53/58/25/387535825.db2.gz ABAGGXIJXRHSFT-UHFFFAOYSA-N 1 2 218.260 0.696 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H](C)CO ZINC000375421670 387538920 /nfs/dbraw/zinc/53/89/20/387538920.db2.gz KKGWBYFGEPSLFW-BWZBUEFSSA-N 1 2 236.262 0.117 20 0 BCADLO CCCCOCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000426134230 387540600 /nfs/dbraw/zinc/54/06/00/387540600.db2.gz SIEBSBSGAJZTJF-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000426134230 387540604 /nfs/dbraw/zinc/54/06/04/387540604.db2.gz SIEBSBSGAJZTJF-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CC(C)[C@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352725505 387462764 /nfs/dbraw/zinc/46/27/64/387462764.db2.gz QIWOMWVLJYPDPB-VIFPVBQESA-N 1 2 211.265 0.385 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CC1(F)CC1 ZINC000527219647 387541689 /nfs/dbraw/zinc/54/16/89/387541689.db2.gz OXHNDVIETJCUDL-MRVPVSSYSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CC1(F)CC1 ZINC000527219647 387541693 /nfs/dbraw/zinc/54/16/93/387541693.db2.gz OXHNDVIETJCUDL-MRVPVSSYSA-N 1 2 223.313 0.853 20 0 BCADLO CCOCCNC(=O)C[NH+]1CCSCC1 ZINC000084679642 387463884 /nfs/dbraw/zinc/46/38/84/387463884.db2.gz SINLPNDDCLCTDQ-UHFFFAOYSA-N 1 2 232.349 0.188 20 0 BCADLO Cc1c(C[NH+]2CC(n3ccnn3)C2)cnn1C ZINC000355023218 387465438 /nfs/dbraw/zinc/46/54/38/387465438.db2.gz WIQLQCASTOHMIP-UHFFFAOYSA-N 1 2 232.291 0.377 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000361477188 387466661 /nfs/dbraw/zinc/46/66/61/387466661.db2.gz GJKIXSGCGXRIIU-MNOVXSKESA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000361477188 387466666 /nfs/dbraw/zinc/46/66/66/387466666.db2.gz GJKIXSGCGXRIIU-MNOVXSKESA-N 1 2 241.287 0.660 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)[C@@H]1CCOC1 ZINC000516177905 387469418 /nfs/dbraw/zinc/46/94/18/387469418.db2.gz DDJXKZYMALDAKC-SNVBAGLBSA-N 1 2 236.319 0.913 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000516177905 387469419 /nfs/dbraw/zinc/46/94/19/387469419.db2.gz DDJXKZYMALDAKC-SNVBAGLBSA-N 1 2 236.319 0.913 20 0 BCADLO CCOCC[N@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000424061702 387474630 /nfs/dbraw/zinc/47/46/30/387474630.db2.gz SOKKILSJJQPTJO-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO CCOCC[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000424061702 387474634 /nfs/dbraw/zinc/47/46/34/387474634.db2.gz SOKKILSJJQPTJO-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000361506321 387475185 /nfs/dbraw/zinc/47/51/85/387475185.db2.gz FBWKUKGXOGJCJX-MRVPVSSYSA-N 1 2 227.312 0.241 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000361506321 387475189 /nfs/dbraw/zinc/47/51/89/387475189.db2.gz FBWKUKGXOGJCJX-MRVPVSSYSA-N 1 2 227.312 0.241 20 0 BCADLO Cn1c(C[N@H+](C)CCCCO)nnc1C1CC1 ZINC000304416921 387476792 /nfs/dbraw/zinc/47/67/92/387476792.db2.gz WORBWLOEWPONJC-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO Cn1c(C[N@@H+](C)CCCCO)nnc1C1CC1 ZINC000304416921 387476795 /nfs/dbraw/zinc/47/67/95/387476795.db2.gz WORBWLOEWPONJC-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO COC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000374662652 387478525 /nfs/dbraw/zinc/47/85/25/387478525.db2.gz ODLBCDLJCBSYLM-UHFFFAOYSA-N 1 2 209.249 0.180 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000355122505 387482507 /nfs/dbraw/zinc/48/25/07/387482507.db2.gz MHOBCZSSGRXQAX-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2COC[C@@H]2O)s1 ZINC000352789637 387484475 /nfs/dbraw/zinc/48/44/75/387484475.db2.gz CMFMIAUOPLETRC-IUCAKERBSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2COC[C@@H]2O)s1 ZINC000352789637 387484479 /nfs/dbraw/zinc/48/44/79/387484479.db2.gz CMFMIAUOPLETRC-IUCAKERBSA-N 1 2 228.317 0.643 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355138367 387485075 /nfs/dbraw/zinc/48/50/75/387485075.db2.gz GLKLJUBQCONPKE-GRYCIOLGSA-N 1 2 237.347 0.149 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000336633409 387485371 /nfs/dbraw/zinc/48/53/71/387485371.db2.gz FEBJPKNCLHWQBE-VIFPVBQESA-N 1 2 249.314 0.952 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000336633409 387485375 /nfs/dbraw/zinc/48/53/75/387485375.db2.gz FEBJPKNCLHWQBE-VIFPVBQESA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193486164 387542508 /nfs/dbraw/zinc/54/25/08/387542508.db2.gz LTQYZUYQERPFRB-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO C[C@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193486164 387542511 /nfs/dbraw/zinc/54/25/11/387542511.db2.gz LTQYZUYQERPFRB-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO CC[N@H+](CCO)Cc1nc([C@@H](C)OC)no1 ZINC000304480579 387488728 /nfs/dbraw/zinc/48/87/28/387488728.db2.gz IEVXYRRWGHPNNU-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CC[N@@H+](CCO)Cc1nc([C@@H](C)OC)no1 ZINC000304480579 387488733 /nfs/dbraw/zinc/48/87/33/387488733.db2.gz IEVXYRRWGHPNNU-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CCCC[N@H+](CCCO)Cc1nnn(C)n1 ZINC000193478391 387489367 /nfs/dbraw/zinc/48/93/67/387489367.db2.gz XWBGOZVSDMDZML-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CCCC[N@@H+](CCCO)Cc1nnn(C)n1 ZINC000193478391 387489375 /nfs/dbraw/zinc/48/93/75/387489375.db2.gz XWBGOZVSDMDZML-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO Cn1cc(NC(=O)NCCCn2cc[nH+]c2)nn1 ZINC000361837481 387542688 /nfs/dbraw/zinc/54/26/88/387542688.db2.gz UDAYASAGXSOGHM-UHFFFAOYSA-N 1 2 249.278 0.223 20 0 BCADLO CC(C)CN1CC[N@H+](CC2(C)COC2)CC1=O ZINC000426143710 387542701 /nfs/dbraw/zinc/54/27/01/387542701.db2.gz PIUDXVPFSJGFTC-UHFFFAOYSA-N 1 2 240.347 0.823 20 0 BCADLO CC(C)CN1CC[N@@H+](CC2(C)COC2)CC1=O ZINC000426143710 387542704 /nfs/dbraw/zinc/54/27/04/387542704.db2.gz PIUDXVPFSJGFTC-UHFFFAOYSA-N 1 2 240.347 0.823 20 0 BCADLO Cc1cc(CNC(=O)N[C@H](C)CO)cc(C)[nH+]1 ZINC000422207417 387581641 /nfs/dbraw/zinc/58/16/41/387581641.db2.gz MDKVAZHPQCXTFK-SNVBAGLBSA-N 1 2 237.303 0.878 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000375814073 387585956 /nfs/dbraw/zinc/58/59/56/387585956.db2.gz MAXMIKDXINIMHK-JQWIXIFHSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000375814073 387585958 /nfs/dbraw/zinc/58/59/58/387585958.db2.gz MAXMIKDXINIMHK-JQWIXIFHSA-N 1 2 249.314 0.915 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ncccc2Cl)C[C@@H]1O ZINC000528401146 387596328 /nfs/dbraw/zinc/59/63/28/387596328.db2.gz WEUHWGOXVVPZKG-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ncccc2Cl)C[C@@H]1O ZINC000528401146 387596333 /nfs/dbraw/zinc/59/63/33/387596333.db2.gz WEUHWGOXVVPZKG-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375981196 387598586 /nfs/dbraw/zinc/59/85/86/387598586.db2.gz OZRKLELUYOIZBW-QMMMGPOBSA-N 1 2 236.271 0.707 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375981196 387598592 /nfs/dbraw/zinc/59/85/92/387598592.db2.gz OZRKLELUYOIZBW-QMMMGPOBSA-N 1 2 236.271 0.707 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(CCO)[C@H](C)C2)ccn1 ZINC000527537972 387606145 /nfs/dbraw/zinc/60/61/45/387606145.db2.gz HWYNFZXTDFTUMN-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cc(C[N@H+]2CCN(CCO)[C@H](C)C2)ccn1 ZINC000527537972 387606147 /nfs/dbraw/zinc/60/61/47/387606147.db2.gz HWYNFZXTDFTUMN-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO CC[C@H]1C[N@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000376115867 387609534 /nfs/dbraw/zinc/60/95/34/387609534.db2.gz QAXRICFKARIHMB-JQWIXIFHSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@H]1C[N@@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000376115867 387609536 /nfs/dbraw/zinc/60/95/36/387609536.db2.gz QAXRICFKARIHMB-JQWIXIFHSA-N 1 2 242.319 0.132 20 0 BCADLO O=C1OCC[C@@H]2CC[N@@H+](CCOCC(F)F)[C@H]12 ZINC000376411007 387629289 /nfs/dbraw/zinc/62/92/89/387629289.db2.gz CJTRFRLUWNOLEH-WPRPVWTQSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@@H]2CC[N@H+](CCOCC(F)F)[C@H]12 ZINC000376411007 387629294 /nfs/dbraw/zinc/62/92/94/387629294.db2.gz CJTRFRLUWNOLEH-WPRPVWTQSA-N 1 2 249.257 0.906 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000375497870 387547424 /nfs/dbraw/zinc/54/74/24/387547424.db2.gz QURGCSFPTSEHEJ-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO O=C(CO)NCc1ccccc1Cn1cc[nH+]c1 ZINC000426185737 387548646 /nfs/dbraw/zinc/54/86/46/387548646.db2.gz DBADBFISKQUDEP-UHFFFAOYSA-N 1 2 245.282 0.540 20 0 BCADLO CC(C)CN1CC[N@H+](CCCO)[C@H](C)C1=O ZINC000426203164 387549397 /nfs/dbraw/zinc/54/93/97/387549397.db2.gz YIKADVBBCRDUOO-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](CCCO)[C@H](C)C1=O ZINC000426203164 387549402 /nfs/dbraw/zinc/54/94/02/387549402.db2.gz YIKADVBBCRDUOO-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO COC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426264098 387551930 /nfs/dbraw/zinc/55/19/30/387551930.db2.gz PYRHDXKPLBMXES-UHFFFAOYSA-N 1 2 223.219 0.251 20 0 BCADLO CC(C)(O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000361943855 387553737 /nfs/dbraw/zinc/55/37/37/387553737.db2.gz LVRUBQOWYCOVEG-QMMMGPOBSA-N 1 2 211.265 0.977 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000361943855 387553741 /nfs/dbraw/zinc/55/37/41/387553741.db2.gz LVRUBQOWYCOVEG-QMMMGPOBSA-N 1 2 211.265 0.977 20 0 BCADLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000361936524 387553989 /nfs/dbraw/zinc/55/39/89/387553989.db2.gz FKHFKRRDROHTOV-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000361936524 387553993 /nfs/dbraw/zinc/55/39/93/387553993.db2.gz FKHFKRRDROHTOV-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573606 387554183 /nfs/dbraw/zinc/55/41/83/387554183.db2.gz WVSOKOSPTZPYSG-KWQFWETISA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573606 387554185 /nfs/dbraw/zinc/55/41/85/387554185.db2.gz WVSOKOSPTZPYSG-KWQFWETISA-N 1 2 242.275 0.122 20 0 BCADLO CC(C)COC(=O)N1CC[NH+](CCO)CC1 ZINC000035115370 387554510 /nfs/dbraw/zinc/55/45/10/387554510.db2.gz RAAMPJJECSQCIA-UHFFFAOYSA-N 1 2 230.308 0.389 20 0 BCADLO COCC(C)(C)C[N@H+](C)Cc1nnnn1C ZINC000426407128 387565303 /nfs/dbraw/zinc/56/53/03/387565303.db2.gz TUWGPHAYGDEWAK-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO COCC(C)(C)C[N@@H+](C)Cc1nnnn1C ZINC000426407128 387565309 /nfs/dbraw/zinc/56/53/09/387565309.db2.gz TUWGPHAYGDEWAK-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362058358 387565998 /nfs/dbraw/zinc/56/59/98/387565998.db2.gz UCGCJMYFKHARCH-RKDXNWHRSA-N 1 2 225.292 0.692 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362058358 387566000 /nfs/dbraw/zinc/56/60/00/387566000.db2.gz UCGCJMYFKHARCH-RKDXNWHRSA-N 1 2 225.292 0.692 20 0 BCADLO CO[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000054852505 387566276 /nfs/dbraw/zinc/56/62/76/387566276.db2.gz WTKMFVNBWIACPQ-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CC(C)(CNC(=O)C1=CCC1)[NH+]1CCOCC1 ZINC000355695760 387568036 /nfs/dbraw/zinc/56/80/36/387568036.db2.gz JNMUHLAYXMDJPB-UHFFFAOYSA-N 1 2 238.331 0.934 20 0 BCADLO c1nc([C@@H]2CCC[N@@H+]2[C@@H]2CCOC2)no1 ZINC000375698232 387569787 /nfs/dbraw/zinc/56/97/87/387569787.db2.gz PUMBLNKGLPMJDR-BDAKNGLRSA-N 1 2 209.249 0.995 20 0 BCADLO c1nc([C@@H]2CCC[N@H+]2[C@@H]2CCOC2)no1 ZINC000375698232 387569791 /nfs/dbraw/zinc/56/97/91/387569791.db2.gz PUMBLNKGLPMJDR-BDAKNGLRSA-N 1 2 209.249 0.995 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362092774 387570900 /nfs/dbraw/zinc/57/09/00/387570900.db2.gz BGQRIBLNTOOLNP-CBAPKCEASA-N 1 2 211.265 0.438 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362092774 387570904 /nfs/dbraw/zinc/57/09/04/387570904.db2.gz BGQRIBLNTOOLNP-CBAPKCEASA-N 1 2 211.265 0.438 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332840001 387574454 /nfs/dbraw/zinc/57/44/54/387574454.db2.gz CAVYJWUQQDMPLN-KHQFGBGNSA-N 1 2 234.303 0.975 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332840001 387574461 /nfs/dbraw/zinc/57/44/61/387574461.db2.gz CAVYJWUQQDMPLN-KHQFGBGNSA-N 1 2 234.303 0.975 20 0 BCADLO COc1ncccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399855047 387575000 /nfs/dbraw/zinc/57/50/00/387575000.db2.gz MGJWXHXEGLVLAT-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO COc1ncccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399855047 387575005 /nfs/dbraw/zinc/57/50/05/387575005.db2.gz MGJWXHXEGLVLAT-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO c1[nH]c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000375748830 387577902 /nfs/dbraw/zinc/57/79/02/387577902.db2.gz AEIRHMNJHHAHIC-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO c1[nH]cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)[nH+]1 ZINC000375748830 387577905 /nfs/dbraw/zinc/57/79/05/387577905.db2.gz AEIRHMNJHHAHIC-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO CO[C@@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000362131790 387578046 /nfs/dbraw/zinc/57/80/46/387578046.db2.gz ZUDFBAGDKPPGRA-SNVBAGLBSA-N 1 2 248.330 0.690 20 0 BCADLO CO[C@@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000362131790 387578048 /nfs/dbraw/zinc/57/80/48/387578048.db2.gz ZUDFBAGDKPPGRA-SNVBAGLBSA-N 1 2 248.330 0.690 20 0 BCADLO COCC[N@H+](Cc1cocn1)[C@H]1CCOC1 ZINC000426523628 387578973 /nfs/dbraw/zinc/57/89/73/387578973.db2.gz OMBFTXBYUOIUFX-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO COCC[N@@H+](Cc1cocn1)[C@H]1CCOC1 ZINC000426523628 387578978 /nfs/dbraw/zinc/57/89/78/387578978.db2.gz OMBFTXBYUOIUFX-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000527535696 387631241 /nfs/dbraw/zinc/63/12/41/387631241.db2.gz VBXJHDFJBAVHOT-PWSUYJOCSA-N 1 2 237.303 0.957 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000124745945 387632076 /nfs/dbraw/zinc/63/20/76/387632076.db2.gz BZGIIFDLOCAXFB-UHFFFAOYSA-N 1 2 248.330 0.892 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCc1c[nH+]cn1C ZINC000356249580 387633385 /nfs/dbraw/zinc/63/33/85/387633385.db2.gz GQZNSJRFEVTOCZ-UHFFFAOYSA-N 1 2 239.319 0.582 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H](COC)C2)no1 ZINC000356260879 387634507 /nfs/dbraw/zinc/63/45/07/387634507.db2.gz ZLUYKXOWHQNDKD-VIFPVBQESA-N 1 2 241.291 0.684 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H](COC)C2)no1 ZINC000356260879 387634509 /nfs/dbraw/zinc/63/45/09/387634509.db2.gz ZLUYKXOWHQNDKD-VIFPVBQESA-N 1 2 241.291 0.684 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000356409221 387655391 /nfs/dbraw/zinc/65/53/91/387655391.db2.gz KEEATCCUOFUTEI-NSHDSACASA-N 1 2 238.335 0.217 20 0 BCADLO COCc1nc(C[N@H+](C[C@@H](C)O)C(C)C)no1 ZINC000305822389 387660372 /nfs/dbraw/zinc/66/03/72/387660372.db2.gz BOLSWROKIPDVSZ-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO COCc1nc(C[N@@H+](C[C@@H](C)O)C(C)C)no1 ZINC000305822389 387660379 /nfs/dbraw/zinc/66/03/79/387660379.db2.gz BOLSWROKIPDVSZ-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000305882979 387665315 /nfs/dbraw/zinc/66/53/15/387665315.db2.gz WGYZRCRGWNIBCA-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000305882979 387665318 /nfs/dbraw/zinc/66/53/18/387665318.db2.gz WGYZRCRGWNIBCA-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CCOC(=O)C(C)(C)[N@H+](C)C[C@H]1COCCO1 ZINC000430985835 387667914 /nfs/dbraw/zinc/66/79/14/387667914.db2.gz AHXGYQQBJJTMME-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C(C)(C)[N@@H+](C)C[C@H]1COCCO1 ZINC000430985835 387667920 /nfs/dbraw/zinc/66/79/20/387667920.db2.gz AHXGYQQBJJTMME-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000424138337 387671944 /nfs/dbraw/zinc/67/19/44/387671944.db2.gz MLBXVELXLWWELY-VHSXEESVSA-N 1 2 243.270 0.757 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356552678 387673118 /nfs/dbraw/zinc/67/31/18/387673118.db2.gz SHZVSLWOLJHWCI-FBIMIBRVSA-N 1 2 235.287 0.793 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(CCO)CC1 ZINC000440713212 387682328 /nfs/dbraw/zinc/68/23/28/387682328.db2.gz RENJPPCDDWAQFF-JTQLQIEISA-N 1 2 204.289 0.344 20 0 BCADLO C[N@H+](Cc1ccno1)[C@@H]1CCCCNC1=O ZINC000362996230 387686744 /nfs/dbraw/zinc/68/67/44/387686744.db2.gz BJQASEIPSHYGQM-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO C[N@@H+](Cc1ccno1)[C@@H]1CCCCNC1=O ZINC000362996230 387686750 /nfs/dbraw/zinc/68/67/50/387686750.db2.gz BJQASEIPSHYGQM-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO CONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377713042 387743376 /nfs/dbraw/zinc/74/33/76/387743376.db2.gz RIFADHSAGKBZMA-UHFFFAOYSA-N 1 2 242.319 0.699 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1nnc[nH]1 ZINC000267741757 387746754 /nfs/dbraw/zinc/74/67/54/387746754.db2.gz OVQVKIWIJUVXPM-YUMQZZPRSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nnc[nH]1 ZINC000267741757 387746760 /nfs/dbraw/zinc/74/67/60/387746760.db2.gz OVQVKIWIJUVXPM-YUMQZZPRSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000248977447 387746728 /nfs/dbraw/zinc/74/67/28/387746728.db2.gz DSAHCIOYURTCMK-JQWIXIFHSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000248977447 387746738 /nfs/dbraw/zinc/74/67/38/387746738.db2.gz DSAHCIOYURTCMK-JQWIXIFHSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1nnc[nH]1 ZINC000267741754 387747123 /nfs/dbraw/zinc/74/71/23/387747123.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nnc[nH]1 ZINC000267741754 387747126 /nfs/dbraw/zinc/74/71/26/387747126.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 1 2 223.280 0.076 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000441353454 387751174 /nfs/dbraw/zinc/75/11/74/387751174.db2.gz ZNQZMOOXLPIHPP-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000441353454 387751175 /nfs/dbraw/zinc/75/11/75/387751175.db2.gz ZNQZMOOXLPIHPP-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO C[C@@H](F)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356733164 387710106 /nfs/dbraw/zinc/71/01/06/387710106.db2.gz UBZJBCVFYWNHCQ-NXEZZACHSA-N 1 2 232.299 0.571 20 0 BCADLO CNS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452044649 387710373 /nfs/dbraw/zinc/71/03/73/387710373.db2.gz RLCOZZGYFMOCJM-UHFFFAOYSA-N 1 2 229.305 0.252 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)CCCO)n1 ZINC000440949563 387715176 /nfs/dbraw/zinc/71/51/76/387715176.db2.gz PMZHADHLRBVJKD-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)CCCO)n1 ZINC000440949563 387715183 /nfs/dbraw/zinc/71/51/83/387715183.db2.gz PMZHADHLRBVJKD-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000115573292 387725446 /nfs/dbraw/zinc/72/54/46/387725446.db2.gz ZLGZRBQFVXSGOI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)NCC1CC1 ZINC000115573292 387725453 /nfs/dbraw/zinc/72/54/53/387725453.db2.gz ZLGZRBQFVXSGOI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000367559949 387728486 /nfs/dbraw/zinc/72/84/86/387728486.db2.gz RKTXDKTYCZMBLV-QMMMGPOBSA-N 1 2 228.271 0.146 20 0 BCADLO C[C@H](F)CC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000367559949 387728492 /nfs/dbraw/zinc/72/84/92/387728492.db2.gz RKTXDKTYCZMBLV-QMMMGPOBSA-N 1 2 228.271 0.146 20 0 BCADLO CC(C)[C@@]1(CO)CC[N@H+](Cc2nnnn2C)C1 ZINC000377643382 387732990 /nfs/dbraw/zinc/73/29/90/387732990.db2.gz CZLRCBKMYYYOEP-NSHDSACASA-N 1 2 239.323 0.051 20 0 BCADLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2nnnn2C)C1 ZINC000377643382 387733000 /nfs/dbraw/zinc/73/30/00/387733000.db2.gz CZLRCBKMYYYOEP-NSHDSACASA-N 1 2 239.323 0.051 20 0 BCADLO COC[C@H]1CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000432167365 387769001 /nfs/dbraw/zinc/76/90/01/387769001.db2.gz PVRCNPQDAFMTGH-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO COC[C@H]1CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000432167365 387769005 /nfs/dbraw/zinc/76/90/05/387769005.db2.gz PVRCNPQDAFMTGH-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)O)C2 ZINC000378306172 387774024 /nfs/dbraw/zinc/77/40/24/387774024.db2.gz JNMJNYSLWSBNTQ-BDAKNGLRSA-N 1 2 223.276 0.003 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)O)C2 ZINC000378306174 387774612 /nfs/dbraw/zinc/77/46/12/387774612.db2.gz JNMJNYSLWSBNTQ-IUCAKERBSA-N 1 2 223.276 0.003 20 0 BCADLO COC(=O)c1oc(C[N@H+](C)CC(N)=O)cc1C ZINC000047628504 387776950 /nfs/dbraw/zinc/77/69/50/387776950.db2.gz UZJOWCKLZUHKAV-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO COC(=O)c1oc(C[N@@H+](C)CC(N)=O)cc1C ZINC000047628504 387776954 /nfs/dbraw/zinc/77/69/54/387776954.db2.gz UZJOWCKLZUHKAV-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000378344711 387777969 /nfs/dbraw/zinc/77/79/69/387777969.db2.gz BVEHJACJGVDEPQ-MRVPVSSYSA-N 1 2 239.300 0.780 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000378344711 387777976 /nfs/dbraw/zinc/77/79/76/387777976.db2.gz BVEHJACJGVDEPQ-MRVPVSSYSA-N 1 2 239.300 0.780 20 0 BCADLO O=C1OC[C@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000378345687 387779411 /nfs/dbraw/zinc/77/94/11/387779411.db2.gz MJQWWOUYFOYLIB-SECBINFHSA-N 1 2 222.248 0.046 20 0 BCADLO O=C1OC[C@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000378345687 387779418 /nfs/dbraw/zinc/77/94/18/387779418.db2.gz MJQWWOUYFOYLIB-SECBINFHSA-N 1 2 222.248 0.046 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000359980141 387792194 /nfs/dbraw/zinc/79/21/94/387792194.db2.gz WUROLNQGOQYGOT-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000359980141 387792199 /nfs/dbraw/zinc/79/21/99/387792199.db2.gz WUROLNQGOQYGOT-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO COc1ccc[nH+]c1N(C)CC(C)(CO)CO ZINC000527933540 387796832 /nfs/dbraw/zinc/79/68/32/387796832.db2.gz QONULEBBHUDPRY-UHFFFAOYSA-N 1 2 240.303 0.517 20 0 BCADLO CC[C@](C)(NCc1c[nH+]cn1C)C(=O)OC ZINC000293122146 387800839 /nfs/dbraw/zinc/80/08/39/387800839.db2.gz KNBHSISMBUMTMA-NSHDSACASA-N 1 2 225.292 0.851 20 0 BCADLO C(C[N@@H+]1CCOC[C@@]12CCOC2)OCC1CC1 ZINC000193666646 387802449 /nfs/dbraw/zinc/80/24/49/387802449.db2.gz JNUSEPXVJJNRDW-ZDUSSCGKSA-N 1 2 241.331 0.904 20 0 BCADLO C(C[N@H+]1CCOC[C@@]12CCOC2)OCC1CC1 ZINC000193666646 387802454 /nfs/dbraw/zinc/80/24/54/387802454.db2.gz JNUSEPXVJJNRDW-ZDUSSCGKSA-N 1 2 241.331 0.904 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193687153 387802976 /nfs/dbraw/zinc/80/29/76/387802976.db2.gz OXRNLDLJWMUYPY-OIBJUYFYSA-N 1 2 222.292 0.332 20 0 BCADLO COc1ccc[nH+]c1N1CC(=O)N(C)[C@@H](C)C1 ZINC000528002128 387807992 /nfs/dbraw/zinc/80/79/92/387807992.db2.gz OWEMBMRGKWNTCQ-VIFPVBQESA-N 1 2 235.287 0.757 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000356979763 387760126 /nfs/dbraw/zinc/76/01/26/387760126.db2.gz FIACVOVXRJUDBY-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000356979763 387760130 /nfs/dbraw/zinc/76/01/30/387760130.db2.gz FIACVOVXRJUDBY-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000441467339 387761463 /nfs/dbraw/zinc/76/14/63/387761463.db2.gz OZJGOUHGYRWRSR-QFYYESIMSA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000441467339 387761466 /nfs/dbraw/zinc/76/14/66/387761466.db2.gz OZJGOUHGYRWRSR-QFYYESIMSA-N 1 2 247.360 0.781 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1c1cc(CO)cc[nH+]1 ZINC000168571074 387835320 /nfs/dbraw/zinc/83/53/20/387835320.db2.gz LWAYAKHOMVLXAG-KOLCDFICSA-N 1 2 238.287 0.160 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1c1cc(CO)cc[nH+]1 ZINC000168571228 387836450 /nfs/dbraw/zinc/83/64/50/387836450.db2.gz LWAYAKHOMVLXAG-MWLCHTKSSA-N 1 2 238.287 0.160 20 0 BCADLO CC/C=C/CNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000452610439 387873787 /nfs/dbraw/zinc/87/37/87/387873787.db2.gz FUMHSDNHSHBPEN-BTDICHCPSA-N 1 2 239.363 0.705 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000061709160 387845038 /nfs/dbraw/zinc/84/50/38/387845038.db2.gz NTWNNFWQNDUJTH-SECBINFHSA-N 1 2 246.270 0.698 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000061709160 387845041 /nfs/dbraw/zinc/84/50/41/387845041.db2.gz NTWNNFWQNDUJTH-SECBINFHSA-N 1 2 246.270 0.698 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000432997016 387847757 /nfs/dbraw/zinc/84/77/57/387847757.db2.gz JLWHVHJFJSTVHA-ZDUSSCGKSA-N 1 2 240.347 0.844 20 0 BCADLO Cn1cc[nH+]c1CN(CCO)CC(F)F ZINC000194863974 387847869 /nfs/dbraw/zinc/84/78/69/387847869.db2.gz SNDHFYGSYYJEOO-UHFFFAOYSA-N 1 2 219.235 0.480 20 0 BCADLO c1cnn(CC[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193700226 387863178 /nfs/dbraw/zinc/86/31/78/387863178.db2.gz CGLGOQGCJSQFRA-GFCCVEGCSA-N 1 2 237.303 0.374 20 0 BCADLO c1cnn(CC[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193700226 387863184 /nfs/dbraw/zinc/86/31/84/387863184.db2.gz CGLGOQGCJSQFRA-GFCCVEGCSA-N 1 2 237.303 0.374 20 0 BCADLO COC(=O)CCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193675717 387863407 /nfs/dbraw/zinc/86/34/07/387863407.db2.gz RTPSGVOZXNCLOC-GFCCVEGCSA-N 1 2 243.303 0.431 20 0 BCADLO COC(=O)CCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193675717 387863412 /nfs/dbraw/zinc/86/34/12/387863412.db2.gz RTPSGVOZXNCLOC-GFCCVEGCSA-N 1 2 243.303 0.431 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193853920 387866965 /nfs/dbraw/zinc/86/69/65/387866965.db2.gz FHDZJNNKIWVHCY-IUCAKERBSA-N 1 2 222.292 0.463 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193853920 387866968 /nfs/dbraw/zinc/86/69/68/387866968.db2.gz FHDZJNNKIWVHCY-IUCAKERBSA-N 1 2 222.292 0.463 20 0 BCADLO C/C(Cl)=C/C[NH+]1CCN(CC(N)=O)CC1 ZINC000528343981 387900817 /nfs/dbraw/zinc/90/08/17/387900817.db2.gz GNOAGPVBOPIIOV-MBXJOHMKSA-N 1 2 231.727 0.232 20 0 BCADLO C/C(Cl)=C/CN1CC[NH+](CC(N)=O)CC1 ZINC000528343981 387900820 /nfs/dbraw/zinc/90/08/20/387900820.db2.gz GNOAGPVBOPIIOV-MBXJOHMKSA-N 1 2 231.727 0.232 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](CC1(O)CCCC1)C2 ZINC000533023469 387919411 /nfs/dbraw/zinc/91/94/11/387919411.db2.gz BBPRGIBZZMHAKC-UHFFFAOYSA-N 1 2 236.319 0.707 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](CC1(O)CCCC1)C2 ZINC000533023469 387919416 /nfs/dbraw/zinc/91/94/16/387919416.db2.gz BBPRGIBZZMHAKC-UHFFFAOYSA-N 1 2 236.319 0.707 20 0 BCADLO O=C(C[NH+]1CCC(O)CC1)Nc1ccncc1 ZINC000195132104 387908595 /nfs/dbraw/zinc/90/85/95/387908595.db2.gz UKRNMSLZKXNLNU-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000448711351 387909975 /nfs/dbraw/zinc/90/99/75/387909975.db2.gz WOQKWNSWPHJEMX-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000438472360 387937220 /nfs/dbraw/zinc/93/72/20/387937220.db2.gz XPSUCFTZKCUPAA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000438472360 387937226 /nfs/dbraw/zinc/93/72/26/387937226.db2.gz XPSUCFTZKCUPAA-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC1(O)CCOCC1 ZINC000438544071 387943719 /nfs/dbraw/zinc/94/37/19/387943719.db2.gz DJQFSARSOIWFMK-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO CCN(C(=O)CCn1cc[nH+]c1)C1COC1 ZINC000453010380 387959871 /nfs/dbraw/zinc/95/98/71/387959871.db2.gz PNGQVXOBTFVDGH-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000158855113 387965222 /nfs/dbraw/zinc/96/52/22/387965222.db2.gz GOECIERUOAWTET-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000158855113 387965225 /nfs/dbraw/zinc/96/52/25/387965225.db2.gz GOECIERUOAWTET-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)n[nH]1 ZINC000445845855 387973103 /nfs/dbraw/zinc/97/31/03/387973103.db2.gz ANCUPDUDIIHVTG-UHFFFAOYSA-N 1 2 233.275 0.274 20 0 BCADLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)[nH]n1 ZINC000445845855 387973109 /nfs/dbraw/zinc/97/31/09/387973109.db2.gz ANCUPDUDIIHVTG-UHFFFAOYSA-N 1 2 233.275 0.274 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@H](C)[C@H]1C)CS(C)(=O)=O ZINC000156509092 387988002 /nfs/dbraw/zinc/98/80/02/387988002.db2.gz VHYWGORWZILCCH-GMTAPVOTSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@H](C)[C@H]1C)CS(C)(=O)=O ZINC000156509092 387988004 /nfs/dbraw/zinc/98/80/04/387988004.db2.gz VHYWGORWZILCCH-GMTAPVOTSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@@H](C)[C@@H]1C)CS(C)(=O)=O ZINC000156508963 387988032 /nfs/dbraw/zinc/98/80/32/387988032.db2.gz VHYWGORWZILCCH-VWYCJHECSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@@H](C)[C@@H]1C)CS(C)(=O)=O ZINC000156508963 387988036 /nfs/dbraw/zinc/98/80/36/387988036.db2.gz VHYWGORWZILCCH-VWYCJHECSA-N 1 2 249.376 0.776 20 0 BCADLO COCCC[N@H+](CCO)Cc1nccc(C)n1 ZINC000446070454 387991522 /nfs/dbraw/zinc/99/15/22/387991522.db2.gz NLBCFWJGDNHHMQ-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO COCCC[N@@H+](CCO)Cc1nccc(C)n1 ZINC000446070454 387991525 /nfs/dbraw/zinc/99/15/25/387991525.db2.gz NLBCFWJGDNHHMQ-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000245837269 387986012 /nfs/dbraw/zinc/98/60/12/387986012.db2.gz DNMPEWPMWSMHPO-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000245837269 387986016 /nfs/dbraw/zinc/98/60/16/387986016.db2.gz DNMPEWPMWSMHPO-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H](C(=O)NCCCF)[NH+]1CCN(C)CC1 ZINC000533185002 388014058 /nfs/dbraw/zinc/01/40/58/388014058.db2.gz KYBPXBVXQLILCP-SNVBAGLBSA-N 1 2 231.315 0.098 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccncc1 ZINC000082258531 388019649 /nfs/dbraw/zinc/01/96/49/388019649.db2.gz VWYJWYZDCOCHNO-UHFFFAOYSA-N 1 2 216.244 0.745 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OCC ZINC000440327974 388039212 /nfs/dbraw/zinc/03/92/12/388039212.db2.gz PRNKOFYRCMXPJY-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000440327974 388039215 /nfs/dbraw/zinc/03/92/15/388039215.db2.gz PRNKOFYRCMXPJY-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO Cc1ccncc1C(=O)N1CC[NH+](C)CC1 ZINC000082303767 388026472 /nfs/dbraw/zinc/02/64/72/388026472.db2.gz PTOIFTHGYQBNQE-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000440530318 388051618 /nfs/dbraw/zinc/05/16/18/388051618.db2.gz YFTCONLEHHOSQR-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000440530318 388051620 /nfs/dbraw/zinc/05/16/20/388051620.db2.gz YFTCONLEHHOSQR-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO Cc1nsc(NCCC[NH+]2CCOCC2)n1 ZINC000083647964 388056581 /nfs/dbraw/zinc/05/65/81/388056581.db2.gz JKGIDTFWLHUJER-UHFFFAOYSA-N 1 2 242.348 0.981 20 0 BCADLO Cc1cc(NC(CO)CO)nc(C(C)C)[nH+]1 ZINC000083694325 388058849 /nfs/dbraw/zinc/05/88/49/388058849.db2.gz UNGCNFFBOYMUCZ-UHFFFAOYSA-N 1 2 225.292 0.674 20 0 BCADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000447307935 388062690 /nfs/dbraw/zinc/06/26/90/388062690.db2.gz YPKZYONVHLBTAR-JQWIXIFHSA-N 1 2 247.310 0.958 20 0 BCADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000447307935 388062692 /nfs/dbraw/zinc/06/26/92/388062692.db2.gz YPKZYONVHLBTAR-JQWIXIFHSA-N 1 2 247.310 0.958 20 0 BCADLO CC[C@H](F)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000440694425 388066528 /nfs/dbraw/zinc/06/65/28/388066528.db2.gz QNCXRMGMEAJOJJ-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@H](F)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000440694425 388066530 /nfs/dbraw/zinc/06/65/30/388066530.db2.gz QNCXRMGMEAJOJJ-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO COCCC[N@H+](C)Cc1ncnn1CCF ZINC000440695780 388068288 /nfs/dbraw/zinc/06/82/88/388068288.db2.gz RQUNKFMRFFNMDI-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO COCCC[N@@H+](C)Cc1ncnn1CCF ZINC000440695780 388068293 /nfs/dbraw/zinc/06/82/93/388068293.db2.gz RQUNKFMRFFNMDI-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO CCCn1ncnc1C[N@H+](CCO)C(C)C ZINC000083995445 388068829 /nfs/dbraw/zinc/06/88/29/388068829.db2.gz WVEQEHMFCGQNQF-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](CCO)C(C)C ZINC000083995445 388068833 /nfs/dbraw/zinc/06/88/33/388068833.db2.gz WVEQEHMFCGQNQF-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO O=C(Cc1ccncc1)NCc1c[nH+]c[nH]1 ZINC000084081672 388070010 /nfs/dbraw/zinc/07/00/10/388070010.db2.gz JWHQIMOFXIBEDJ-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO O=C(Cc1ccncc1)NCc1c[nH]c[nH+]1 ZINC000084081672 388070013 /nfs/dbraw/zinc/07/00/13/388070013.db2.gz JWHQIMOFXIBEDJ-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO O=C(CC[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081561 388071041 /nfs/dbraw/zinc/07/10/41/388071041.db2.gz VJVGCUGGPSUIMA-JTQLQIEISA-N 1 2 223.276 0.985 20 0 BCADLO O=C(CC[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081561 388071048 /nfs/dbraw/zinc/07/10/48/388071048.db2.gz VJVGCUGGPSUIMA-JTQLQIEISA-N 1 2 223.276 0.985 20 0 BCADLO O=C(CC[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081563 388071092 /nfs/dbraw/zinc/07/10/92/388071092.db2.gz VJVGCUGGPSUIMA-SNVBAGLBSA-N 1 2 223.276 0.985 20 0 BCADLO O=C(CC[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081563 388071096 /nfs/dbraw/zinc/07/10/96/388071096.db2.gz VJVGCUGGPSUIMA-SNVBAGLBSA-N 1 2 223.276 0.985 20 0 BCADLO CC[C@H](F)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000440702593 388071641 /nfs/dbraw/zinc/07/16/41/388071641.db2.gz DWTYFTBTNARGRC-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CC[C@H](F)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000440702593 388071643 /nfs/dbraw/zinc/07/16/43/388071643.db2.gz DWTYFTBTNARGRC-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO C[C@@H]([NH2+]Cc1cocn1)C(=O)N1CCCC1 ZINC000336657537 388072007 /nfs/dbraw/zinc/07/20/07/388072007.db2.gz BBUYLULCWGXXAF-SECBINFHSA-N 1 2 223.276 0.775 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H](CC)C(=O)OCC ZINC000084120707 388072817 /nfs/dbraw/zinc/07/28/17/388072817.db2.gz BHLZWFOMRLLHOG-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H](CC)C(=O)OCC ZINC000084120707 388072819 /nfs/dbraw/zinc/07/28/19/388072819.db2.gz BHLZWFOMRLLHOG-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000645898713 388077565 /nfs/dbraw/zinc/07/75/65/388077565.db2.gz FQARFQQOYDNVRW-LLVKDONJSA-N 1 2 247.314 0.100 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CC[C@](F)(CO)C1 ZINC000645898713 388077569 /nfs/dbraw/zinc/07/75/69/388077569.db2.gz FQARFQQOYDNVRW-LLVKDONJSA-N 1 2 247.314 0.100 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084678603 388080117 /nfs/dbraw/zinc/08/01/17/388080117.db2.gz BJJXQZZPNFPCIX-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084678603 388080120 /nfs/dbraw/zinc/08/01/20/388080120.db2.gz BJJXQZZPNFPCIX-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000084695837 388080504 /nfs/dbraw/zinc/08/05/04/388080504.db2.gz IHLMWXDMICQSDZ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000447731453 388088655 /nfs/dbraw/zinc/08/86/55/388088655.db2.gz UVCKSWCJRJHHLF-CMPLNLGQSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cn1 ZINC000447731453 388088658 /nfs/dbraw/zinc/08/86/58/388088658.db2.gz UVCKSWCJRJHHLF-CMPLNLGQSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000447731459 388089232 /nfs/dbraw/zinc/08/92/32/388089232.db2.gz UVCKSWCJRJHHLF-JQWIXIFHSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cn1 ZINC000447731459 388089237 /nfs/dbraw/zinc/08/92/37/388089237.db2.gz UVCKSWCJRJHHLF-JQWIXIFHSA-N 1 2 237.303 0.565 20 0 BCADLO CCC1C[NH+](Cc2cn(CC(=O)OC)nn2)C1 ZINC000453610588 388091885 /nfs/dbraw/zinc/09/18/85/388091885.db2.gz JSNVVGNTLZYESK-UHFFFAOYSA-N 1 2 238.291 0.293 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844493 388095133 /nfs/dbraw/zinc/09/51/33/388095133.db2.gz MQQJNKANKXPURW-IUCAKERBSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844493 388095135 /nfs/dbraw/zinc/09/51/35/388095135.db2.gz MQQJNKANKXPURW-IUCAKERBSA-N 1 2 240.307 0.636 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447872570 388098779 /nfs/dbraw/zinc/09/87/79/388098779.db2.gz PFIFPNQZECPUJT-MRVPVSSYSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447872570 388098780 /nfs/dbraw/zinc/09/87/80/388098780.db2.gz PFIFPNQZECPUJT-MRVPVSSYSA-N 1 2 241.291 0.419 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@@H](C)CC ZINC000056509104 388099379 /nfs/dbraw/zinc/09/93/79/388099379.db2.gz OCYNZZLIOCIRIY-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@@H](C)CC ZINC000056509104 388099382 /nfs/dbraw/zinc/09/93/82/388099382.db2.gz OCYNZZLIOCIRIY-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnc(N)s1 ZINC000086766116 388108156 /nfs/dbraw/zinc/10/81/56/388108156.db2.gz JSGHQWVUASAMJC-UHFFFAOYSA-N 1 2 242.348 0.683 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnc(N)s1 ZINC000086766116 388108157 /nfs/dbraw/zinc/10/81/57/388108157.db2.gz JSGHQWVUASAMJC-UHFFFAOYSA-N 1 2 242.348 0.683 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000086765574 388108218 /nfs/dbraw/zinc/10/82/18/388108218.db2.gz BAHVVYHGIGYQON-UHFFFAOYSA-N 1 2 240.332 0.389 20 0 BCADLO C[C@H](F)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000454247391 388110443 /nfs/dbraw/zinc/11/04/43/388110443.db2.gz UCJFOGUKACOBQE-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1ccno1 ZINC000533296165 388046613 /nfs/dbraw/zinc/04/66/13/388046613.db2.gz JLESOKKLWZESPS-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1ccno1 ZINC000533296165 388046617 /nfs/dbraw/zinc/04/66/17/388046617.db2.gz JLESOKKLWZESPS-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO O=C([C@@H]1CCCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257684 388171856 /nfs/dbraw/zinc/17/18/56/388171856.db2.gz CBTKETUYBQCKRS-NSHDSACASA-N 1 2 235.287 0.864 20 0 BCADLO O=C([C@@H]1CCCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257684 388171859 /nfs/dbraw/zinc/17/18/59/388171859.db2.gz CBTKETUYBQCKRS-NSHDSACASA-N 1 2 235.287 0.864 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260849 388172112 /nfs/dbraw/zinc/17/21/12/388172112.db2.gz MTDSSAKDOCGRIP-SFYZADRCSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260849 388172114 /nfs/dbraw/zinc/17/21/14/388172114.db2.gz MTDSSAKDOCGRIP-SFYZADRCSA-N 1 2 205.261 0.950 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(O)C(C)C ZINC000456106183 388177955 /nfs/dbraw/zinc/17/79/55/388177955.db2.gz TWLQOPQQNWGREV-LBPRGKRZSA-N 1 2 239.319 0.926 20 0 BCADLO COCCOC1C[NH+](C[C@H](O)CSC)C1 ZINC000488548585 388185375 /nfs/dbraw/zinc/18/53/75/388185375.db2.gz MDBUXGDTKCQRNN-VIFPVBQESA-N 1 2 235.349 0.058 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC1(F)F ZINC000448877318 388117420 /nfs/dbraw/zinc/11/74/20/388117420.db2.gz FAJUKHLVBDOGNB-SECBINFHSA-N 1 2 248.273 0.432 20 0 BCADLO C[C@H](F)CCNC(=O)NCCn1cc[nH+]c1 ZINC000454609226 388125421 /nfs/dbraw/zinc/12/54/21/388125421.db2.gz FOAFQHGQEBXVNJ-VIFPVBQESA-N 1 2 228.271 0.930 20 0 BCADLO COCCOC1C[NH+](C[C@@H](O)CSC)C1 ZINC000488548580 388186197 /nfs/dbraw/zinc/18/61/97/388186197.db2.gz MDBUXGDTKCQRNN-SECBINFHSA-N 1 2 235.349 0.058 20 0 BCADLO CCn1cc[nH+]c1CN1CN(C)C(=O)[C@@H]1C ZINC000646123406 388147271 /nfs/dbraw/zinc/14/72/71/388147271.db2.gz PSLDSXHDDDINMZ-VIFPVBQESA-N 1 2 222.292 0.523 20 0 BCADLO COc1cc[nH+]c(CN2CN(C)C(=O)[C@H]2C)c1 ZINC000646122824 388147561 /nfs/dbraw/zinc/14/75/61/388147561.db2.gz DFYJZSTWLZDNKS-SECBINFHSA-N 1 2 235.287 0.710 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1CCn1cc[nH+]c1 ZINC000646127191 388148952 /nfs/dbraw/zinc/14/89/52/388148952.db2.gz XVVUUTAFVHZQJO-SECBINFHSA-N 1 2 208.265 0.003 20 0 BCADLO C[C@H](Cc1ccoc1)[NH2+]Cc1nnn(C)n1 ZINC000449190049 388155137 /nfs/dbraw/zinc/15/51/37/388155137.db2.gz PWMDQUTYAOUFKB-MRVPVSSYSA-N 1 2 221.264 0.524 20 0 BCADLO C[N@H+](CCCCO)Cc1ncnn1CC(F)F ZINC000489010416 388201748 /nfs/dbraw/zinc/20/17/48/388201748.db2.gz JTTMYAYYTPYKQO-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO C[N@@H+](CCCCO)Cc1ncnn1CC(F)F ZINC000489010416 388201750 /nfs/dbraw/zinc/20/17/50/388201750.db2.gz JTTMYAYYTPYKQO-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449472702 388212965 /nfs/dbraw/zinc/21/29/65/388212965.db2.gz QJGYJQPQNYOZAW-VIFPVBQESA-N 1 2 223.219 0.251 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449472702 388212967 /nfs/dbraw/zinc/21/29/67/388212967.db2.gz QJGYJQPQNYOZAW-VIFPVBQESA-N 1 2 223.219 0.251 20 0 BCADLO CCO[C@@H]1COC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000456796081 388222020 /nfs/dbraw/zinc/22/20/20/388222020.db2.gz QOIWSGWYMVGAKG-NXEZZACHSA-N 1 2 239.275 0.252 20 0 BCADLO Cc1nc(N2C[C@H](O)C3(CC3)C2)cc[nH+]1 ZINC000489920134 388227914 /nfs/dbraw/zinc/22/79/14/388227914.db2.gz SRNFBUADUKBVLA-VIFPVBQESA-N 1 2 205.261 0.746 20 0 BCADLO Cc1nc(N2C[C@@H](O)C3(CC3)C2)cc[nH+]1 ZINC000489920132 388228276 /nfs/dbraw/zinc/22/82/76/388228276.db2.gz SRNFBUADUKBVLA-SECBINFHSA-N 1 2 205.261 0.746 20 0 BCADLO COCC[N@H+](Cc1ncccn1)[C@H]1CCOC1 ZINC000490099428 388235294 /nfs/dbraw/zinc/23/52/94/388235294.db2.gz VDSINDVOUTWBKM-NSHDSACASA-N 1 2 237.303 0.714 20 0 BCADLO COCC[N@@H+](Cc1ncccn1)[C@H]1CCOC1 ZINC000490099428 388235296 /nfs/dbraw/zinc/23/52/96/388235296.db2.gz VDSINDVOUTWBKM-NSHDSACASA-N 1 2 237.303 0.714 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643005 388286997 /nfs/dbraw/zinc/28/69/97/388286997.db2.gz RPHOPGHZQHVTDR-CMPLNLGQSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643005 388286999 /nfs/dbraw/zinc/28/69/99/388286999.db2.gz RPHOPGHZQHVTDR-CMPLNLGQSA-N 1 2 240.347 0.748 20 0 BCADLO CCOC(=O)NCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000491379580 388290477 /nfs/dbraw/zinc/29/04/77/388290477.db2.gz ZFTCQZZOVVIINC-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO COC(=O)NCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000491430767 388294274 /nfs/dbraw/zinc/29/42/74/388294274.db2.gz WJIBPIVREYNQSP-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO CC[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451847470 388300766 /nfs/dbraw/zinc/30/07/66/388300766.db2.gz HWYOYTPEFLZRGM-JGVFFNPUSA-N 1 2 211.252 0.705 20 0 BCADLO CC[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451847470 388300768 /nfs/dbraw/zinc/30/07/68/388300768.db2.gz HWYOYTPEFLZRGM-JGVFFNPUSA-N 1 2 211.252 0.705 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491520358 388300850 /nfs/dbraw/zinc/30/08/50/388300850.db2.gz MYVJKEFFGJSLTR-KVOZUEDISA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491520358 388300851 /nfs/dbraw/zinc/30/08/51/388300851.db2.gz MYVJKEFFGJSLTR-KVOZUEDISA-N 1 2 238.331 0.956 20 0 BCADLO Cn1c[nH+]cc1C[S@](=O)C[C@@H]1CCCO1 ZINC000491614301 388304789 /nfs/dbraw/zinc/30/47/89/388304789.db2.gz ZJVZKPXLOXMCQS-BONVTDFDSA-N 1 2 228.317 0.848 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H](O)C[C@H]1C ZINC000492039614 388332235 /nfs/dbraw/zinc/33/22/35/388332235.db2.gz IDJABAUUZAAYJP-XKFHPXPTSA-N 1 2 249.314 0.898 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/C2CC2)C1 ZINC000491948623 388329074 /nfs/dbraw/zinc/32/90/74/388329074.db2.gz KJICWZVYUBEGDG-FYJFLYSWSA-N 1 2 237.347 0.315 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/C2CC2)C1 ZINC000491948623 388329075 /nfs/dbraw/zinc/32/90/75/388329075.db2.gz KJICWZVYUBEGDG-FYJFLYSWSA-N 1 2 237.347 0.315 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000491955992 388329705 /nfs/dbraw/zinc/32/97/05/388329705.db2.gz LXNYLTSVQLJFLO-SECBINFHSA-N 1 2 229.349 0.576 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000491955992 388329706 /nfs/dbraw/zinc/32/97/06/388329706.db2.gz LXNYLTSVQLJFLO-SECBINFHSA-N 1 2 229.349 0.576 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451442276 388273776 /nfs/dbraw/zinc/27/37/76/388273776.db2.gz VDHMGUVWJCOMGE-RCOVLWMOSA-N 1 2 223.219 0.250 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451442276 388273778 /nfs/dbraw/zinc/27/37/78/388273778.db2.gz VDHMGUVWJCOMGE-RCOVLWMOSA-N 1 2 223.219 0.250 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451442274 388273889 /nfs/dbraw/zinc/27/38/89/388273889.db2.gz VDHMGUVWJCOMGE-IMTBSYHQSA-N 1 2 223.219 0.250 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451442274 388273890 /nfs/dbraw/zinc/27/38/90/388273890.db2.gz VDHMGUVWJCOMGE-IMTBSYHQSA-N 1 2 223.219 0.250 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCC1(O)CCC1 ZINC000492316311 388341196 /nfs/dbraw/zinc/34/11/96/388341196.db2.gz GIWXPUYWRILNGH-SNAWJCMRSA-N 1 2 249.314 0.947 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305826264 388350688 /nfs/dbraw/zinc/35/06/88/388350688.db2.gz SQGHXSABIJGCPW-QWRGUYRKSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305826264 388350689 /nfs/dbraw/zinc/35/06/89/388350689.db2.gz SQGHXSABIJGCPW-QWRGUYRKSA-N 1 2 238.335 0.798 20 0 BCADLO CC[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000277284016 388353660 /nfs/dbraw/zinc/35/36/60/388353660.db2.gz AUJOVMOTVHQAAO-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000277284016 388353663 /nfs/dbraw/zinc/35/36/63/388353663.db2.gz AUJOVMOTVHQAAO-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO Cn1ncc(CNC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000293681626 388358137 /nfs/dbraw/zinc/35/81/37/388358137.db2.gz AMRKQRNBICCATP-LLVKDONJSA-N 1 2 249.318 0.801 20 0 BCADLO COC[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000234911679 388363637 /nfs/dbraw/zinc/36/36/37/388363637.db2.gz SLOPYWFOFBRSGI-RXMQYKEDSA-N 1 2 232.671 0.131 20 0 BCADLO COC[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000234911679 388363639 /nfs/dbraw/zinc/36/36/39/388363639.db2.gz SLOPYWFOFBRSGI-RXMQYKEDSA-N 1 2 232.671 0.131 20 0 BCADLO C[C@@H](C[S@](C)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235119116 388365705 /nfs/dbraw/zinc/36/57/05/388365705.db2.gz PKRZYNQWNQUKNN-SPHRHWQCSA-N 1 2 248.739 0.891 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@@](C)(O)C1 ZINC000163788994 388367362 /nfs/dbraw/zinc/36/73/62/388367362.db2.gz OPDOTMPIRMAUNY-LLVKDONJSA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@@](C)(O)C1 ZINC000163788994 388367365 /nfs/dbraw/zinc/36/73/65/388367365.db2.gz OPDOTMPIRMAUNY-LLVKDONJSA-N 1 2 238.291 0.419 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@@H]2CO)c1Cl ZINC000227849176 388371560 /nfs/dbraw/zinc/37/15/60/388371560.db2.gz MZQDCAFCHBHDJY-ZCFIWIBFSA-N 1 2 228.683 0.673 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@H]2CO)c1Cl ZINC000227849183 388372024 /nfs/dbraw/zinc/37/20/24/388372024.db2.gz MZQDCAFCHBHDJY-LURJTMIESA-N 1 2 228.683 0.673 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)n1C ZINC000305768907 388374099 /nfs/dbraw/zinc/37/40/99/388374099.db2.gz VDSHDHDFBINLBU-ZJUUUORDSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)n1C ZINC000305768907 388374102 /nfs/dbraw/zinc/37/41/02/388374102.db2.gz VDSHDHDFBINLBU-ZJUUUORDSA-N 1 2 238.335 0.580 20 0 BCADLO C[C@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235783877 388375520 /nfs/dbraw/zinc/37/55/20/388375520.db2.gz GCCFRAQQELLBIO-VIFPVBQESA-N 1 2 228.683 0.673 20 0 BCADLO C[C@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235783877 388375523 /nfs/dbraw/zinc/37/55/23/388375523.db2.gz GCCFRAQQELLBIO-VIFPVBQESA-N 1 2 228.683 0.673 20 0 BCADLO [NH3+][C@H](C(=O)N[C@H]1CCSC1)c1cscn1 ZINC000572833348 388379531 /nfs/dbraw/zinc/37/95/31/388379531.db2.gz SKFDVNOFJRSTEN-XPUUQOCRSA-N 1 2 243.357 0.765 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCOC1 ZINC000519669176 256655703 /nfs/dbraw/zinc/65/57/03/256655703.db2.gz MGYUCUXXHHCISN-SNVBAGLBSA-N 1 2 223.276 0.426 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@](C)(O)C1CC1 ZINC000519695115 256656147 /nfs/dbraw/zinc/65/61/47/256656147.db2.gz QWZAWIKRDKUXIK-LBPRGKRZSA-N 1 2 237.303 0.240 20 0 BCADLO Cc1nn(C(C)C)c(=O)n1Cc1c[nH+]cn1C ZINC000572890773 388384400 /nfs/dbraw/zinc/38/44/00/388384400.db2.gz MCRVLXJGOBQAIQ-UHFFFAOYSA-N 1 2 235.291 0.716 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cnn(C)c1)C(C)C ZINC000218059256 388386325 /nfs/dbraw/zinc/38/63/25/388386325.db2.gz FFLTULUIVDELIF-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO CCOC(=O)N[C@@H](C(=O)NCC[NH2+]C)C(C)C ZINC000236917739 388386528 /nfs/dbraw/zinc/38/65/28/388386528.db2.gz XGZAMWYPLDPEFK-SECBINFHSA-N 1 2 245.323 0.093 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237387650 388393990 /nfs/dbraw/zinc/39/39/90/388393990.db2.gz MFXCHQNTKBZJMJ-ZCFIWIBFSA-N 1 2 222.248 0.127 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC(=O)C1 ZINC000520586572 256674845 /nfs/dbraw/zinc/67/48/45/256674845.db2.gz CPIKCEAEZKJHLT-SNVBAGLBSA-N 1 2 235.287 0.759 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000330363516 388443872 /nfs/dbraw/zinc/44/38/72/388443872.db2.gz IQIFPUGPGYTIED-WPRPVWTQSA-N 1 2 201.266 0.300 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000308608906 388444923 /nfs/dbraw/zinc/44/49/23/388444923.db2.gz QEEGEOJCCBTCEZ-IWSPIJDZSA-N 1 2 203.282 0.951 20 0 BCADLO OCC[NH+](CCO)Cc1ncccc1Cl ZINC000528370997 388451729 /nfs/dbraw/zinc/45/17/29/388451729.db2.gz GTVZFJGZWKCFFG-UHFFFAOYSA-N 1 2 230.695 0.522 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194904542 388455753 /nfs/dbraw/zinc/45/57/53/388455753.db2.gz RITLJNSVTXLYKB-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194904542 388455756 /nfs/dbraw/zinc/45/57/56/388455756.db2.gz RITLJNSVTXLYKB-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](O)CC[C@H]1C ZINC000649201516 388457645 /nfs/dbraw/zinc/45/76/45/388457645.db2.gz VAUIKWZKTHTTBH-PSASIEDQSA-N 1 2 237.303 0.632 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cnccn1 ZINC000060408322 388459448 /nfs/dbraw/zinc/45/94/48/388459448.db2.gz XHHNUEQZGVNHPD-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1O ZINC000649215635 388459698 /nfs/dbraw/zinc/45/96/98/388459698.db2.gz QPZNDQHDSXWDBJ-CKYFFXLPSA-N 1 2 249.314 0.285 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC000649215636 388459844 /nfs/dbraw/zinc/45/98/44/388459844.db2.gz QPZNDQHDSXWDBJ-FOGDFJRCSA-N 1 2 249.314 0.285 20 0 BCADLO COC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000648858899 388473359 /nfs/dbraw/zinc/47/33/59/388473359.db2.gz VUZIUBWIFMLVIK-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO C[C@@H]1[C@H](CO)CCN1c1[nH+]cnc2c1cnn2C ZINC000337935140 388475129 /nfs/dbraw/zinc/47/51/29/388475129.db2.gz VWJBAHICXDVHKC-BDAKNGLRSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(-c2ccncc2)n[nH]1)[C@H](C)O ZINC000516454439 388477056 /nfs/dbraw/zinc/47/70/56/388477056.db2.gz QANNVWYOMAZLPL-BDAKNGLRSA-N 1 2 247.302 0.726 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cc2n(n1)CCC2 ZINC000516621503 388407632 /nfs/dbraw/zinc/40/76/32/388407632.db2.gz AOUSQUAWUJONAM-UHFFFAOYSA-N 1 2 244.254 0.604 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)oc1C ZINC000573060805 388415021 /nfs/dbraw/zinc/41/50/21/388415021.db2.gz RQXHVYRGXSDFDC-QWRGUYRKSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)oc1C ZINC000573060805 388415023 /nfs/dbraw/zinc/41/50/23/388415023.db2.gz RQXHVYRGXSDFDC-QWRGUYRKSA-N 1 2 240.303 0.467 20 0 BCADLO O=C(NC1CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261538915 135177509 /nfs/dbraw/zinc/17/75/09/135177509.db2.gz ZTQFKWRPKYFOLE-ZETCQYMHSA-N 1 2 204.220 0.652 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCCCO1 ZINC000245936301 388434454 /nfs/dbraw/zinc/43/44/54/388434454.db2.gz JDSKRCPXRMLWOP-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCCCO1 ZINC000245936301 388434457 /nfs/dbraw/zinc/43/44/57/388434457.db2.gz JDSKRCPXRMLWOP-MXWKQRLJSA-N 1 2 243.303 0.164 20 0 BCADLO C[N@H+](Cc1ncccc1Cl)[C@@H]1COC[C@H]1O ZINC000528506856 388537357 /nfs/dbraw/zinc/53/73/57/388537357.db2.gz MREJMVOMCKDPRW-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO C[N@@H+](Cc1ncccc1Cl)[C@@H]1COC[C@H]1O ZINC000528506856 388537361 /nfs/dbraw/zinc/53/73/61/388537361.db2.gz MREJMVOMCKDPRW-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO O[C@H]1C[N@H+](Cc2nnc3n2CCCC3)CC12CC2 ZINC000517066449 388537590 /nfs/dbraw/zinc/53/75/90/388537590.db2.gz ZNIGVENENMKPRU-JTQLQIEISA-N 1 2 248.330 0.571 20 0 BCADLO O[C@H]1C[N@@H+](Cc2nnc3n2CCCC3)CC12CC2 ZINC000517066449 388537594 /nfs/dbraw/zinc/53/75/94/388537594.db2.gz ZNIGVENENMKPRU-JTQLQIEISA-N 1 2 248.330 0.571 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000517152949 388539186 /nfs/dbraw/zinc/53/91/86/388539186.db2.gz XHFMYEUMPOONHK-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000517152951 388539689 /nfs/dbraw/zinc/53/96/89/388539689.db2.gz XHFMYEUMPOONHK-IUCAKERBSA-N 1 2 223.276 0.636 20 0 BCADLO COCC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000548460128 388540544 /nfs/dbraw/zinc/54/05/44/388540544.db2.gz UZFSLXSBDUBYMD-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000528517594 388540746 /nfs/dbraw/zinc/54/07/46/388540746.db2.gz AVFNTJKCVNQAED-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000528517594 388540747 /nfs/dbraw/zinc/54/07/47/388540747.db2.gz AVFNTJKCVNQAED-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cncnc1 ZINC000548460764 388540942 /nfs/dbraw/zinc/54/09/42/388540942.db2.gz QHGPRHRMSILWLH-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548640163 388550605 /nfs/dbraw/zinc/55/06/05/388550605.db2.gz WJWBYLSSBYYWRG-LLVKDONJSA-N 1 2 249.314 0.741 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000517233911 388543625 /nfs/dbraw/zinc/54/36/25/388543625.db2.gz IGKSBHNNDRFWFJ-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000517233911 388543629 /nfs/dbraw/zinc/54/36/29/388543629.db2.gz IGKSBHNNDRFWFJ-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC000356281947 388547747 /nfs/dbraw/zinc/54/77/47/388547747.db2.gz OTBOGUPOPNYTGZ-QWRGUYRKSA-N 1 2 227.304 0.953 20 0 BCADLO COCCC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000528576936 388548012 /nfs/dbraw/zinc/54/80/12/388548012.db2.gz HEEWOLMCNUJQPH-UHFFFAOYSA-N 1 2 240.307 0.759 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCO1 ZINC000547804337 388484428 /nfs/dbraw/zinc/48/44/28/388484428.db2.gz LMTJEBYMONQRSP-JTQLQIEISA-N 1 2 223.276 0.258 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CCCO1 ZINC000547804796 388484962 /nfs/dbraw/zinc/48/49/62/388484962.db2.gz AOMHSTFSVQFIBQ-NSHDSACASA-N 1 2 237.303 0.648 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000290226143 388496317 /nfs/dbraw/zinc/49/63/17/388496317.db2.gz XDRXDCJEYJLMHI-UWVGGRQHSA-N 1 2 212.249 0.486 20 0 BCADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)C(C)(C)C ZINC000343129888 388498756 /nfs/dbraw/zinc/49/87/56/388498756.db2.gz IOCPRWYOBFIZEJ-NSHDSACASA-N 1 2 242.363 0.805 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000135586200 388501297 /nfs/dbraw/zinc/50/12/97/388501297.db2.gz TZSJAVTWXAWVJK-WCBMZHEXSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000135586200 388501299 /nfs/dbraw/zinc/50/12/99/388501299.db2.gz TZSJAVTWXAWVJK-WCBMZHEXSA-N 1 2 200.282 0.361 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528510333 388507126 /nfs/dbraw/zinc/50/71/26/388507126.db2.gz XEFYSZIVEPBBJQ-MRVPVSSYSA-N 1 2 247.316 0.496 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528510333 388507128 /nfs/dbraw/zinc/50/71/28/388507128.db2.gz XEFYSZIVEPBBJQ-MRVPVSSYSA-N 1 2 247.316 0.496 20 0 BCADLO C[NH+]1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000548079057 388508579 /nfs/dbraw/zinc/50/85/79/388508579.db2.gz OVDWPMHZHTZLDJ-UHFFFAOYSA-N 1 2 236.319 0.461 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ncn(C)n1 ZINC000548075769 388508664 /nfs/dbraw/zinc/50/86/64/388508664.db2.gz ZECODDFFVAVNNV-RKDXNWHRSA-N 1 2 237.307 0.087 20 0 BCADLO CC[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000548082452 388509204 /nfs/dbraw/zinc/50/92/04/388509204.db2.gz BMZUXVMUOWASII-QMMMGPOBSA-N 1 2 225.292 0.574 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1ncnn1CC ZINC000345825803 388515185 /nfs/dbraw/zinc/51/51/85/388515185.db2.gz DZXPJJJEAGMFNW-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1ncnn1CC ZINC000345825803 388515186 /nfs/dbraw/zinc/51/51/86/388515186.db2.gz DZXPJJJEAGMFNW-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000345844464 388518021 /nfs/dbraw/zinc/51/80/21/388518021.db2.gz VNWSBIORGKWFAE-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000345844464 388518023 /nfs/dbraw/zinc/51/80/23/388518023.db2.gz VNWSBIORGKWFAE-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000564342118 388518217 /nfs/dbraw/zinc/51/82/17/388518217.db2.gz GKOTVILRZXVZIX-PSASIEDQSA-N 1 2 243.307 0.768 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000564342118 388518219 /nfs/dbraw/zinc/51/82/19/388518219.db2.gz GKOTVILRZXVZIX-PSASIEDQSA-N 1 2 243.307 0.768 20 0 BCADLO CCC[C@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000378841584 388519050 /nfs/dbraw/zinc/51/90/50/388519050.db2.gz YGQALDXRUQNTAZ-MRVPVSSYSA-N 1 2 225.296 0.241 20 0 BCADLO CCC[C@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000378841584 388519053 /nfs/dbraw/zinc/51/90/53/388519053.db2.gz YGQALDXRUQNTAZ-MRVPVSSYSA-N 1 2 225.296 0.241 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000528399859 388519288 /nfs/dbraw/zinc/51/92/88/388519288.db2.gz YBNLWNFEDMDSRL-JWNFGPPVSA-N 1 2 229.711 0.838 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000528399859 388519292 /nfs/dbraw/zinc/51/92/92/388519292.db2.gz YBNLWNFEDMDSRL-JWNFGPPVSA-N 1 2 229.711 0.838 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCOC2)C1 ZINC000516877472 388522649 /nfs/dbraw/zinc/52/26/49/388522649.db2.gz XCFYFCKMQHTHKA-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)[nH]1 ZINC000516903406 388523789 /nfs/dbraw/zinc/52/37/89/388523789.db2.gz GEUDROJXQVKMCJ-ATZCPNFKSA-N 1 2 249.318 0.199 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)[nH]1 ZINC000516903406 388523791 /nfs/dbraw/zinc/52/37/91/388523791.db2.gz GEUDROJXQVKMCJ-ATZCPNFKSA-N 1 2 249.318 0.199 20 0 BCADLO C[C@@H]1CC[N@H+](CC2(CO)COC2)CC1(F)F ZINC000516920109 388524575 /nfs/dbraw/zinc/52/45/75/388524575.db2.gz FDLGZNAFBKNPQC-SECBINFHSA-N 1 2 235.274 0.972 20 0 BCADLO C[C@@H]1CC[N@@H+](CC2(CO)COC2)CC1(F)F ZINC000516920109 388524578 /nfs/dbraw/zinc/52/45/78/388524578.db2.gz FDLGZNAFBKNPQC-SECBINFHSA-N 1 2 235.274 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCn2ncnc2C1 ZINC000528454052 388528712 /nfs/dbraw/zinc/52/87/12/388528712.db2.gz WMTSBIZRSLWVCS-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cnccc1C[N@H+]1CCn2ncnc2C1 ZINC000528454052 388528715 /nfs/dbraw/zinc/52/87/15/388528715.db2.gz WMTSBIZRSLWVCS-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[N@H+](CCCCO)Cc1nnc2n1CCCC2 ZINC000349923323 388529305 /nfs/dbraw/zinc/52/93/05/388529305.db2.gz WLYNZWMSHLMBPD-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO C[N@@H+](CCCCO)Cc1nnc2n1CCCC2 ZINC000349923323 388529307 /nfs/dbraw/zinc/52/93/07/388529307.db2.gz WLYNZWMSHLMBPD-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCCC1 ZINC000548331930 388529736 /nfs/dbraw/zinc/52/97/36/388529736.db2.gz UEZKILGIUMFMLK-UHFFFAOYSA-N 1 2 207.277 0.975 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000136335729 388530197 /nfs/dbraw/zinc/53/01/97/388530197.db2.gz AWEYWOBUGXAVGZ-UHFFFAOYSA-N 1 2 224.304 0.518 20 0 BCADLO CCn1cnnc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000516978891 388530292 /nfs/dbraw/zinc/53/02/92/388530292.db2.gz ICQYLEWTRCJJRB-VIFPVBQESA-N 1 2 237.307 0.577 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@H]1CO ZINC000528475578 388532471 /nfs/dbraw/zinc/53/24/71/388532471.db2.gz KTFNGOKGAOWALU-YPNJUMGQSA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCOC[C@H]1CO ZINC000528475578 388532474 /nfs/dbraw/zinc/53/24/74/388532474.db2.gz KTFNGOKGAOWALU-YPNJUMGQSA-N 1 2 205.685 0.822 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185418251 388588079 /nfs/dbraw/zinc/58/80/79/388588079.db2.gz LOSBPQJGUOOCEO-PUTJDCORSA-N 1 2 248.392 0.600 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185418251 388588080 /nfs/dbraw/zinc/58/80/80/388588080.db2.gz LOSBPQJGUOOCEO-PUTJDCORSA-N 1 2 248.392 0.600 20 0 BCADLO CN(C[C@H]1CCC[C@@H]1O)C(=O)Cn1cc[nH+]c1 ZINC000549708828 388588173 /nfs/dbraw/zinc/58/81/73/388588173.db2.gz CUJUKQIWCLYCEU-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000219431371 388592308 /nfs/dbraw/zinc/59/23/08/388592308.db2.gz GHLOKEXLRHVIDG-IUCAKERBSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000138325358 388594135 /nfs/dbraw/zinc/59/41/35/388594135.db2.gz XIEUJFZHCIPRRV-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000138325358 388594137 /nfs/dbraw/zinc/59/41/37/388594137.db2.gz XIEUJFZHCIPRRV-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)(C(=O)NCC12CC(C1)CO2)c1c[nH]c[nH+]1 ZINC000529872789 388595205 /nfs/dbraw/zinc/59/52/05/388595205.db2.gz QKHIEYLAYGTQLK-UHFFFAOYSA-N 1 2 249.314 0.983 20 0 BCADLO Cc1nc(N[C@H](C)[C@H]2CCCCO2)nc(N)[nH+]1 ZINC000379267949 388604738 /nfs/dbraw/zinc/60/47/38/388604738.db2.gz SRGJPOARUFOJKL-VXNVDRBHSA-N 1 2 237.307 0.384 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@H]2CCCCO2)[nH+]1 ZINC000379267949 388604741 /nfs/dbraw/zinc/60/47/41/388604741.db2.gz SRGJPOARUFOJKL-VXNVDRBHSA-N 1 2 237.307 0.384 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCSC1 ZINC000550312419 388605354 /nfs/dbraw/zinc/60/53/54/388605354.db2.gz GISNZZPFGVCHIP-VIFPVBQESA-N 1 2 225.317 0.847 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528630483 388553864 /nfs/dbraw/zinc/55/38/64/388553864.db2.gz SBAKGISQTIWNSN-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528630483 388553866 /nfs/dbraw/zinc/55/38/66/388553866.db2.gz SBAKGISQTIWNSN-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO CCC[NH+]1CCN(C(=O)c2cnns2)CC1 ZINC000080148410 388554144 /nfs/dbraw/zinc/55/41/44/388554144.db2.gz DUWSNEXKEAWBMG-UHFFFAOYSA-N 1 2 240.332 0.706 20 0 BCADLO CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000517587710 388554859 /nfs/dbraw/zinc/55/48/59/388554859.db2.gz FWUHOFKLGXRDIN-QMMMGPOBSA-N 1 2 240.307 0.409 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cccnn1 ZINC000548746874 388556018 /nfs/dbraw/zinc/55/60/18/388556018.db2.gz YJFWQGRJSOYQBZ-UHFFFAOYSA-N 1 2 222.292 0.245 20 0 BCADLO COCc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000362967902 388561982 /nfs/dbraw/zinc/56/19/82/388561982.db2.gz UXDKTABLONKDOM-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO COC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000548813902 388563773 /nfs/dbraw/zinc/56/37/73/388563773.db2.gz QDTSOBCVHPPRAI-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)nn1 ZINC000549078469 388572544 /nfs/dbraw/zinc/57/25/44/388572544.db2.gz ZCSDCGBXXTWOAF-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](OC(F)F)C2)nn1 ZINC000549078469 388572547 /nfs/dbraw/zinc/57/25/47/388572547.db2.gz ZCSDCGBXXTWOAF-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cccc(=O)[nH]1 ZINC000385375932 388574476 /nfs/dbraw/zinc/57/44/76/388574476.db2.gz YDBYBKWHTWUOLA-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)OCC1CC1 ZINC000184385395 388577265 /nfs/dbraw/zinc/57/72/65/388577265.db2.gz AIKDKWXHMAJJCH-JTQLQIEISA-N 1 2 242.319 0.843 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ncccc1F ZINC000528831189 388577915 /nfs/dbraw/zinc/57/79/15/388577915.db2.gz SRFSJEARAXOMLR-IONNQARKSA-N 1 2 223.251 0.760 20 0 BCADLO [NH3+][C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000104157415 388582174 /nfs/dbraw/zinc/58/21/74/388582174.db2.gz BHAORXXQBIIRLX-JTQLQIEISA-N 1 2 218.256 0.315 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000248444888 388680376 /nfs/dbraw/zinc/68/03/76/388680376.db2.gz GFSGQGPGPGWSDT-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000248444888 388680380 /nfs/dbraw/zinc/68/03/80/388680380.db2.gz GFSGQGPGPGWSDT-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)O)C(C)C ZINC000086235254 388683263 /nfs/dbraw/zinc/68/32/63/388683263.db2.gz NRKDDTNFCUMVQD-VIFPVBQESA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H]1C[N@H+](CCN(C)CC(F)F)CCO1 ZINC000192733119 388683838 /nfs/dbraw/zinc/68/38/38/388683838.db2.gz TZWJNBKIGQYZCP-VIFPVBQESA-N 1 2 222.279 0.904 20 0 BCADLO C[C@H]1C[N@@H+](CCN(C)CC(F)F)CCO1 ZINC000192733119 388683839 /nfs/dbraw/zinc/68/38/39/388683839.db2.gz TZWJNBKIGQYZCP-VIFPVBQESA-N 1 2 222.279 0.904 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2ccns2)C1 ZINC000630076352 388618984 /nfs/dbraw/zinc/61/89/84/388618984.db2.gz LEMLXZRZLXFYAU-UHFFFAOYSA-N 1 2 211.290 0.450 20 0 BCADLO CN1CC[N@H+](CCCS(C)(=O)=O)CC1(C)C ZINC000551039211 388620354 /nfs/dbraw/zinc/62/03/54/388620354.db2.gz DATCVDBHKIFJOF-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CN1CC[N@@H+](CCCS(C)(=O)=O)CC1(C)C ZINC000551039211 388620355 /nfs/dbraw/zinc/62/03/55/388620355.db2.gz DATCVDBHKIFJOF-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246140536 388620588 /nfs/dbraw/zinc/62/05/88/388620588.db2.gz XIEUJFZHCIPRRV-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246140536 388620592 /nfs/dbraw/zinc/62/05/92/388620592.db2.gz XIEUJFZHCIPRRV-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO O=C(NCC[N@H+]1CC=CCC1)c1nncs1 ZINC000530188609 388625009 /nfs/dbraw/zinc/62/50/09/388625009.db2.gz UXHZOCXPDIZAMH-UHFFFAOYSA-N 1 2 238.316 0.530 20 0 BCADLO O=C(NCC[N@@H+]1CC=CCC1)c1nncs1 ZINC000530188609 388625012 /nfs/dbraw/zinc/62/50/12/388625012.db2.gz UXHZOCXPDIZAMH-UHFFFAOYSA-N 1 2 238.316 0.530 20 0 BCADLO C[C@@H]1CN(C(=O)c2nncs2)C[C@H](C)[N@H+]1C ZINC000530189202 388625316 /nfs/dbraw/zinc/62/53/16/388625316.db2.gz OFFAAIIUZVJLMD-OCAPTIKFSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1CN(C(=O)c2nncs2)C[C@H](C)[N@@H+]1C ZINC000530189202 388625318 /nfs/dbraw/zinc/62/53/18/388625318.db2.gz OFFAAIIUZVJLMD-OCAPTIKFSA-N 1 2 240.332 0.703 20 0 BCADLO O=C1N[C@@H](c2c[nH]c[nH+]2)N2CCCC[C@@H]12 ZINC000078757089 388684603 /nfs/dbraw/zinc/68/46/03/388684603.db2.gz XWCHBBDVTDEKKC-DTWKUNHWSA-N 1 2 206.249 0.393 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCOC ZINC000521903446 388641024 /nfs/dbraw/zinc/64/10/24/388641024.db2.gz SCZKPPYVFNOUOO-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCOC ZINC000521903446 388641027 /nfs/dbraw/zinc/64/10/27/388641027.db2.gz SCZKPPYVFNOUOO-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246508342 388641393 /nfs/dbraw/zinc/64/13/93/388641393.db2.gz KJOUEPPRFKMOSR-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246508342 388641394 /nfs/dbraw/zinc/64/13/94/388641394.db2.gz KJOUEPPRFKMOSR-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H](CC(=O)NC(C)(C)CO)n1cc[nH+]c1 ZINC000551913064 388646011 /nfs/dbraw/zinc/64/60/11/388646011.db2.gz ZTXCYNKQCOQYMK-SECBINFHSA-N 1 2 225.292 0.721 20 0 BCADLO CCOCCOCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000190252863 388648464 /nfs/dbraw/zinc/64/84/64/388648464.db2.gz JQOFFYUQWXPVNZ-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOCCOCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000190252863 388648467 /nfs/dbraw/zinc/64/84/67/388648467.db2.gz JQOFFYUQWXPVNZ-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](CCOCCO)C1CC1 ZINC000190832301 388656594 /nfs/dbraw/zinc/65/65/94/388656594.db2.gz YHHNOVVDMLAXOO-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](CCOCCO)C1CC1 ZINC000190832301 388656597 /nfs/dbraw/zinc/65/65/97/388656597.db2.gz YHHNOVVDMLAXOO-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@@H]1C[N@H+](CCO)CCN1CC(F)(F)F ZINC000127955994 388734369 /nfs/dbraw/zinc/73/43/69/388734369.db2.gz OEGZKRTYMUAROW-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)CCN1CC(F)(F)F ZINC000127955994 388734371 /nfs/dbraw/zinc/73/43/71/388734371.db2.gz OEGZKRTYMUAROW-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cc[nH]n2)[C@@H](C(N)=O)C1 ZINC000250065596 388735559 /nfs/dbraw/zinc/73/55/59/388735559.db2.gz NKXQXFGSBIUFCC-PSASIEDQSA-N 1 2 222.292 0.496 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)[C@@H](C(N)=O)C1 ZINC000250065596 388735560 /nfs/dbraw/zinc/73/55/60/388735560.db2.gz NKXQXFGSBIUFCC-PSASIEDQSA-N 1 2 222.292 0.496 20 0 BCADLO O=C(Cn1cccn1)N1CC(n2cc[nH+]c2)C1 ZINC000522258606 388738775 /nfs/dbraw/zinc/73/87/75/388738775.db2.gz VIRNFERMMCTYGD-UHFFFAOYSA-N 1 2 231.259 0.163 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc[nH]2)CCO1 ZINC000522267814 388742247 /nfs/dbraw/zinc/74/22/47/388742247.db2.gz NOFMHIAAXTULHS-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc[nH]2)CCO1 ZINC000522267814 388742250 /nfs/dbraw/zinc/74/22/50/388742250.db2.gz NOFMHIAAXTULHS-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCCC1 ZINC000090008862 388744077 /nfs/dbraw/zinc/74/40/77/388744077.db2.gz FQNNLLOPPLGDKF-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCCC1 ZINC000090008862 388744079 /nfs/dbraw/zinc/74/40/79/388744079.db2.gz FQNNLLOPPLGDKF-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000553207220 388752649 /nfs/dbraw/zinc/75/26/49/388752649.db2.gz YVVLVCSCYJRCQP-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)CC(C)C)[C@H](C)O ZINC000249067687 388707358 /nfs/dbraw/zinc/70/73/58/388707358.db2.gz QLMQXCNQXKCFGZ-KXUCPTDWSA-N 1 2 217.309 0.933 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000249101876 388709044 /nfs/dbraw/zinc/70/90/44/388709044.db2.gz WJSKPMOKXXYDMZ-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000249101876 388709046 /nfs/dbraw/zinc/70/90/46/388709046.db2.gz WJSKPMOKXXYDMZ-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO COC[C@H](CNc1cc[nH+]c(C)n1)OC ZINC000227700801 388756350 /nfs/dbraw/zinc/75/63/50/388756350.db2.gz NVSZMHHZLQOGHA-VIFPVBQESA-N 1 2 211.265 0.858 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000193840767 388717172 /nfs/dbraw/zinc/71/71/72/388717172.db2.gz WBOKLCIMYARPON-UHFFFAOYSA-N 1 2 246.261 0.846 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000193840767 388717176 /nfs/dbraw/zinc/71/71/76/388717176.db2.gz WBOKLCIMYARPON-UHFFFAOYSA-N 1 2 246.261 0.846 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249563462 388728697 /nfs/dbraw/zinc/72/86/97/388728697.db2.gz MIZRNBCQFCSOSJ-UWVGGRQHSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249563462 388728698 /nfs/dbraw/zinc/72/86/98/388728698.db2.gz MIZRNBCQFCSOSJ-UWVGGRQHSA-N 1 2 241.335 0.098 20 0 BCADLO CC[C@H](C)C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000649055638 388756965 /nfs/dbraw/zinc/75/69/65/388756965.db2.gz PFRWGVSZYJQBIL-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO O=c1[nH]nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)[nH]1 ZINC000092617423 388813434 /nfs/dbraw/zinc/81/34/34/388813434.db2.gz VPIIEMLZVNXXLC-QMMMGPOBSA-N 1 2 238.291 0.099 20 0 BCADLO O=c1[nH]nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)[nH]1 ZINC000092617423 388813438 /nfs/dbraw/zinc/81/34/38/388813438.db2.gz VPIIEMLZVNXXLC-QMMMGPOBSA-N 1 2 238.291 0.099 20 0 BCADLO Nc1[nH+]cnc(NC[C@H](O)C2CC2)c1Cl ZINC000227849169 388759605 /nfs/dbraw/zinc/75/96/05/388759605.db2.gz FQLFMWRCVIULHE-LURJTMIESA-N 1 2 228.683 0.895 20 0 BCADLO Nc1nc[nH+]c(NC[C@H](O)C2CC2)c1Cl ZINC000227849169 388759609 /nfs/dbraw/zinc/75/96/09/388759609.db2.gz FQLFMWRCVIULHE-LURJTMIESA-N 1 2 228.683 0.895 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC000522536636 388759662 /nfs/dbraw/zinc/75/96/62/388759662.db2.gz YPRDJBLENXVCRX-LBPRGKRZSA-N 1 2 246.314 0.374 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC000522536636 388759665 /nfs/dbraw/zinc/75/96/65/388759665.db2.gz YPRDJBLENXVCRX-LBPRGKRZSA-N 1 2 246.314 0.374 20 0 BCADLO COCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000553299093 388761966 /nfs/dbraw/zinc/76/19/66/388761966.db2.gz LIKRHMFBTUKVTE-UHFFFAOYSA-N 1 2 225.292 0.672 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000068366092 388777820 /nfs/dbraw/zinc/77/78/20/388777820.db2.gz OMQGXXLVEHBGPB-LBPRGKRZSA-N 1 2 249.314 0.327 20 0 BCADLO CN1CCC[C@@H]([N@H+](C)Cc2cc[nH]n2)C1=O ZINC000539811879 388779758 /nfs/dbraw/zinc/77/97/58/388779758.db2.gz QLZGZSMBODEEDX-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO CN1CCC[C@@H]([N@@H+](C)Cc2cc[nH]n2)C1=O ZINC000539811879 388779761 /nfs/dbraw/zinc/77/97/61/388779761.db2.gz QLZGZSMBODEEDX-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC[C@@H](C)O)n1C ZINC000342775241 135327610 /nfs/dbraw/zinc/32/76/10/135327610.db2.gz FAEGYOFTSHACOT-SNVBAGLBSA-N 1 2 211.309 0.931 20 0 BCADLO Cc1cnc(C[N@H+](C)CC[C@@H](C)O)n1C ZINC000342775241 135327612 /nfs/dbraw/zinc/32/76/12/135327612.db2.gz FAEGYOFTSHACOT-SNVBAGLBSA-N 1 2 211.309 0.931 20 0 BCADLO Cc1c[nH+]c(CN(C)CC[C@@H](C)O)n1C ZINC000342775241 135327614 /nfs/dbraw/zinc/32/76/14/135327614.db2.gz FAEGYOFTSHACOT-SNVBAGLBSA-N 1 2 211.309 0.931 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCOCC1CC1 ZINC000554560468 388823142 /nfs/dbraw/zinc/82/31/42/388823142.db2.gz SZXHWLJJGXTYIO-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000540911508 388825224 /nfs/dbraw/zinc/82/52/24/388825224.db2.gz CPTRNUWGFCXPSX-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000540911508 388825225 /nfs/dbraw/zinc/82/52/25/388825225.db2.gz CPTRNUWGFCXPSX-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CCS(=O)(=O)CCNc1cc[nH+]c(C)n1 ZINC000230903182 388832603 /nfs/dbraw/zinc/83/26/03/388832603.db2.gz ZLRMXZUWESNMQD-UHFFFAOYSA-N 1 2 229.305 0.632 20 0 BCADLO COc1ccc[nH+]c1N[C@H]1CNC(=O)C1 ZINC000229238224 388840563 /nfs/dbraw/zinc/84/05/63/388840563.db2.gz ZIDUGCQIHUVZJM-SSDOTTSWSA-N 1 2 207.233 0.391 20 0 BCADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Cn1cccn1 ZINC000555222037 388842173 /nfs/dbraw/zinc/84/21/73/388842173.db2.gz LTQSQHBIOZICMW-LLVKDONJSA-N 1 2 247.302 0.532 20 0 BCADLO Cn1cc[nH+]c1CNCC(F)(F)CO ZINC000231776697 388843007 /nfs/dbraw/zinc/84/30/07/388843007.db2.gz SXFRSJGXOXLOEA-UHFFFAOYSA-N 1 2 205.208 0.137 20 0 BCADLO CCO[C@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000523692804 388852595 /nfs/dbraw/zinc/85/25/95/388852595.db2.gz MLNYGFAVKHRTJB-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689922 388852629 /nfs/dbraw/zinc/85/26/29/388852629.db2.gz BGUNWPOYWFLQPI-QWRGUYRKSA-N 1 2 235.287 0.691 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689923 388853268 /nfs/dbraw/zinc/85/32/68/388853268.db2.gz BGUNWPOYWFLQPI-WDEREUQCSA-N 1 2 235.287 0.691 20 0 BCADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)n1cccn1 ZINC000523689946 388853332 /nfs/dbraw/zinc/85/33/32/388853332.db2.gz FFHYSGUSBRYZAF-SNVBAGLBSA-N 1 2 245.286 0.724 20 0 BCADLO Cn1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)nn1 ZINC000541702058 388865312 /nfs/dbraw/zinc/86/53/12/388865312.db2.gz VBTXURLGGBGJCG-NSHDSACASA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)nn1 ZINC000541702058 388865314 /nfs/dbraw/zinc/86/53/14/388865314.db2.gz VBTXURLGGBGJCG-NSHDSACASA-N 1 2 237.307 0.045 20 0 BCADLO Cc1cc(NC(=O)N2CC(=O)N(C)C2)c(C)c[nH+]1 ZINC000541769605 388867664 /nfs/dbraw/zinc/86/76/64/388867664.db2.gz BZTWLXXVBAJBBM-UHFFFAOYSA-N 1 2 248.286 0.384 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CO1 ZINC000649150738 388880252 /nfs/dbraw/zinc/88/02/52/388880252.db2.gz OXFNRKDIBLMPTN-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CO1 ZINC000649151028 388880513 /nfs/dbraw/zinc/88/05/13/388880513.db2.gz KDGGMXOMADUZAI-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](C[N@@H+]1CCOCC1(C)C)CS(C)(=O)=O ZINC000163110789 388880579 /nfs/dbraw/zinc/88/05/79/388880579.db2.gz NCOVNQDVAOUYLM-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO C[C@@H](C[N@H+]1CCOCC1(C)C)CS(C)(=O)=O ZINC000163110789 388880582 /nfs/dbraw/zinc/88/05/82/388880582.db2.gz NCOVNQDVAOUYLM-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO Cn1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000071089280 388886225 /nfs/dbraw/zinc/88/62/25/388886225.db2.gz ODLZVAOSPBTQPK-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000071089280 388886227 /nfs/dbraw/zinc/88/62/27/388886227.db2.gz ODLZVAOSPBTQPK-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO C[C@H]1SCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000649172186 388888957 /nfs/dbraw/zinc/88/89/57/388888957.db2.gz CFACBWYRHAHGIG-SCZZXKLOSA-N 1 2 239.344 0.973 20 0 BCADLO C[C@@H]1SCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000649174360 388891422 /nfs/dbraw/zinc/89/14/22/388891422.db2.gz GPLMYPYMRPMPKW-DTWKUNHWSA-N 1 2 225.317 0.893 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC[C@@H]2C(N)=O)cc[nH+]1 ZINC000565187043 388922635 /nfs/dbraw/zinc/92/26/35/388922635.db2.gz CQVPBTVGPMHLRQ-UWVGGRQHSA-N 1 2 233.271 0.262 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000565178864 388922724 /nfs/dbraw/zinc/92/27/24/388922724.db2.gz CMPADMKWKUFAPH-UHFFFAOYSA-N 1 2 235.247 0.419 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CO ZINC000565186938 388923169 /nfs/dbraw/zinc/92/31/69/388923169.db2.gz AKGIPPDFUDXEII-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CO ZINC000565186938 388923173 /nfs/dbraw/zinc/92/31/73/388923173.db2.gz AKGIPPDFUDXEII-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@]2(CNC(=O)C2)C1 ZINC000565228939 388929287 /nfs/dbraw/zinc/92/92/87/388929287.db2.gz JYTMQCXONWIEAB-ZDUSSCGKSA-N 1 2 246.314 0.810 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000572571482 388967159 /nfs/dbraw/zinc/96/71/59/388967159.db2.gz MMUQZTNDHNUOIT-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000572571482 388967161 /nfs/dbraw/zinc/96/71/61/388967161.db2.gz MMUQZTNDHNUOIT-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000565402893 388941488 /nfs/dbraw/zinc/94/14/88/388941488.db2.gz FSYJXAJVXCHSAI-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000565402893 388941485 /nfs/dbraw/zinc/94/14/85/388941485.db2.gz FSYJXAJVXCHSAI-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000565402888 388941606 /nfs/dbraw/zinc/94/16/06/388941606.db2.gz FSYJXAJVXCHSAI-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000565402888 388941609 /nfs/dbraw/zinc/94/16/09/388941609.db2.gz FSYJXAJVXCHSAI-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CO[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000565424789 388944704 /nfs/dbraw/zinc/94/47/04/388944704.db2.gz AZIWQRSLUGZGLB-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@@H](NC(=O)Cn1ccccc1=O)c1[nH]cc[nH+]1 ZINC000565943739 388980666 /nfs/dbraw/zinc/98/06/66/388980666.db2.gz USYYTFMZCMSHND-SECBINFHSA-N 1 2 246.270 0.449 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H](O)C(F)F ZINC000566015046 388983834 /nfs/dbraw/zinc/98/38/34/388983834.db2.gz FXTQEDBDGWCSRR-IONNQARKSA-N 1 2 247.245 0.404 20 0 BCADLO CCOCCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000566098349 388986926 /nfs/dbraw/zinc/98/69/26/388986926.db2.gz GEDNDNTXBYBQPN-SECBINFHSA-N 1 2 243.332 0.686 20 0 BCADLO Cc1nc(C[N@H+](CCO)CCCO)cs1 ZINC000265642848 388993419 /nfs/dbraw/zinc/99/34/19/388993419.db2.gz SGZODKSPCJJUEJ-UHFFFAOYSA-N 1 2 230.333 0.628 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CCCO)cs1 ZINC000265642848 388993422 /nfs/dbraw/zinc/99/34/22/388993422.db2.gz SGZODKSPCJJUEJ-UHFFFAOYSA-N 1 2 230.333 0.628 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1cn[nH]c1C ZINC000267328689 388999131 /nfs/dbraw/zinc/99/91/31/388999131.db2.gz HHHYJOPMJPNQMI-NSHDSACASA-N 1 2 227.308 0.595 20 0 BCADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC000270508283 389013006 /nfs/dbraw/zinc/01/30/06/389013006.db2.gz WENWPRGBKMNWMV-UWVGGRQHSA-N 1 2 207.277 0.992 20 0 BCADLO CC(C)c1nc(NCCO)nc(N(C)C)[nH+]1 ZINC000270951826 389015281 /nfs/dbraw/zinc/01/52/81/389015281.db2.gz OTXCGULMQRRLRS-UHFFFAOYSA-N 1 2 225.296 0.465 20 0 BCADLO CC(C)c1nc(N(C)C)nc(NCCO)[nH+]1 ZINC000270951826 389015277 /nfs/dbraw/zinc/01/52/77/389015277.db2.gz OTXCGULMQRRLRS-UHFFFAOYSA-N 1 2 225.296 0.465 20 0 BCADLO COCc1nsc(NCCn2cc[nH+]c2)n1 ZINC000273488389 389040728 /nfs/dbraw/zinc/04/07/28/389040728.db2.gz OLHDHJINZOMBRM-UHFFFAOYSA-N 1 2 239.304 0.993 20 0 BCADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000300333463 132338584 /nfs/dbraw/zinc/33/85/84/132338584.db2.gz NGPFRERNQGLJMT-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000300333463 132338586 /nfs/dbraw/zinc/33/85/86/132338586.db2.gz NGPFRERNQGLJMT-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO COC(=O)CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493425035 533309266 /nfs/dbraw/zinc/30/92/66/533309266.db2.gz CSWKQQURAXUHNH-NSCUHMNNSA-N 1 2 249.270 0.635 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1cccc(CO)c1 ZINC000494386642 533473418 /nfs/dbraw/zinc/47/34/18/533473418.db2.gz PPKDBCZFXILQGZ-SECBINFHSA-N 1 2 247.302 0.553 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)s2)C[C@@H]1OC ZINC000488027618 533480233 /nfs/dbraw/zinc/48/02/33/533480233.db2.gz QRVVWDIEVNVEDK-DTORHVGOSA-N 1 2 243.332 0.692 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)s2)C[C@@H]1OC ZINC000488027618 533480235 /nfs/dbraw/zinc/48/02/35/533480235.db2.gz QRVVWDIEVNVEDK-DTORHVGOSA-N 1 2 243.332 0.692 20 0 BCADLO C[C@@H](CCO)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493812491 533617409 /nfs/dbraw/zinc/61/74/09/533617409.db2.gz BSYQSQWLVKXOJQ-VMZHVLLKSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1nc(N2CCC(CC(N)=O)CC2)cc[nH+]1 ZINC000266169038 132184377 /nfs/dbraw/zinc/18/43/77/132184377.db2.gz YPGUINNFWFNUQZ-UHFFFAOYSA-N 1 2 234.303 0.877 20 0 BCADLO Cc1nc(N2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000266135972 132184589 /nfs/dbraw/zinc/18/45/89/132184589.db2.gz PMDMFPWUJXDTQY-VIFPVBQESA-N 1 2 220.276 0.487 20 0 BCADLO C[C@@H]1OCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000268801634 132192769 /nfs/dbraw/zinc/19/27/69/132192769.db2.gz JLXKBSDUPQOPBE-IUCAKERBSA-N 1 2 247.302 0.977 20 0 BCADLO CCN1CCN(c2cc[nH+]c(C)n2)CC1=O ZINC000273295799 132201967 /nfs/dbraw/zinc/20/19/67/132201967.db2.gz LDJIZFRHYWZYFW-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCC1=O ZINC000276387636 132206541 /nfs/dbraw/zinc/20/65/41/132206541.db2.gz DPDRHAOGBWWFLY-MRVPVSSYSA-N 1 2 245.286 0.779 20 0 BCADLO O=C1CO[C@@H]2CCN(c3cccc[nH+]3)C[C@H]2N1 ZINC000366620416 132212262 /nfs/dbraw/zinc/21/22/62/132212262.db2.gz QRZLMFGXBCPMFN-NXEZZACHSA-N 1 2 233.271 0.175 20 0 BCADLO O=C(CO)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000283822614 132213401 /nfs/dbraw/zinc/21/34/01/132213401.db2.gz YTDAIODFKBPNIQ-UHFFFAOYSA-N 1 2 249.314 0.680 20 0 BCADLO COc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000290680830 132217317 /nfs/dbraw/zinc/21/73/17/132217317.db2.gz LJTJBUBLBPNPBJ-UHFFFAOYSA-N 1 2 231.259 0.702 20 0 BCADLO Cc1cc(N2CC(=O)N[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000295718954 132220877 /nfs/dbraw/zinc/22/08/77/132220877.db2.gz KVRANZOBHUOVDV-VIFPVBQESA-N 1 2 246.314 0.987 20 0 BCADLO c1cc(C[NH+]2CCN(c3cnccn3)CC2)on1 ZINC000298073944 132221737 /nfs/dbraw/zinc/22/17/37/132221737.db2.gz QOMACHVXNBNONA-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO Cc1cc(N2CCN(C(=O)N(C)C)CC2)nc[nH+]1 ZINC000301230528 132251526 /nfs/dbraw/zinc/25/15/26/132251526.db2.gz HIRZSZJGWJAGFE-UHFFFAOYSA-N 1 2 249.318 0.589 20 0 BCADLO NC(=O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000357561369 132273879 /nfs/dbraw/zinc/27/38/79/132273879.db2.gz CRJKAFZGUQHDSK-UHFFFAOYSA-N 1 2 243.270 0.397 20 0 BCADLO Cc1cc(N2CCn3cnnc3[C@H]2C)nc[nH+]1 ZINC000357751630 132274939 /nfs/dbraw/zinc/27/49/39/132274939.db2.gz VLTJIKMUWVJSPJ-SECBINFHSA-N 1 2 230.275 0.958 20 0 BCADLO Nc1[nH+]cnc(N2CCO[C@H]3C[C@H]32)c1Cl ZINC000308914679 132323105 /nfs/dbraw/zinc/32/31/05/132323105.db2.gz AYBYMNWSTPEUMA-RITPCOANSA-N 1 2 226.667 0.690 20 0 BCADLO OCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000040421734 132347212 /nfs/dbraw/zinc/34/72/12/132347212.db2.gz NREJBQWBPWVRFO-UHFFFAOYSA-N 1 2 241.722 0.849 20 0 BCADLO CO[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000054868226 132365043 /nfs/dbraw/zinc/36/50/43/132365043.db2.gz RYVVOEGKNKNCNT-NSHDSACASA-N 1 2 249.314 0.765 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2O)CC1 ZINC000069149423 132389949 /nfs/dbraw/zinc/38/99/49/132389949.db2.gz NSGRZYQUCXQRJD-JTQLQIEISA-N 1 2 249.314 0.388 20 0 BCADLO Cc1c[nH+]c(CN(C)CC(C)(CO)CO)n1C ZINC000342807935 133599051 /nfs/dbraw/zinc/59/90/51/133599051.db2.gz QHCMNFNEJQOVBR-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(C)(CO)CO)n1C ZINC000342807935 133599052 /nfs/dbraw/zinc/59/90/52/133599052.db2.gz QHCMNFNEJQOVBR-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(C)(CO)CO)n1C ZINC000342807935 133599053 /nfs/dbraw/zinc/59/90/53/133599053.db2.gz QHCMNFNEJQOVBR-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@]2(C)CO)c[nH+]1 ZINC000334266298 133608495 /nfs/dbraw/zinc/60/84/95/133608495.db2.gz NKGBUVVDVLUSLN-ZYHUDNBSSA-N 1 2 237.303 0.999 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCn1cncn1)C(=O)OC ZINC000347192805 133808887 /nfs/dbraw/zinc/80/88/87/133808887.db2.gz IATJOMKANRYSNT-ZJUUUORDSA-N 1 2 240.307 0.455 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(=O)c1ccccc1 ZINC000349526747 133887935 /nfs/dbraw/zinc/88/79/35/133887935.db2.gz CXMSIIOEWBYFEC-UHFFFAOYSA-N 1 2 243.266 0.919 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335921701 134007642 /nfs/dbraw/zinc/00/76/42/134007642.db2.gz QHJMRJAGOKNYBZ-MRVPVSSYSA-N 1 2 236.319 0.689 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335921701 134007643 /nfs/dbraw/zinc/00/76/43/134007643.db2.gz QHJMRJAGOKNYBZ-MRVPVSSYSA-N 1 2 236.319 0.689 20 0 BCADLO c1nc2n(n1)CC[N@@H+](CC1=CCCOC1)C2 ZINC000351932131 134012770 /nfs/dbraw/zinc/01/27/70/134012770.db2.gz QNIQSIFKUPDDQJ-UHFFFAOYSA-N 1 2 220.276 0.440 20 0 BCADLO c1nc2n(n1)CC[N@H+](CC1=CCCOC1)C2 ZINC000351932131 134012771 /nfs/dbraw/zinc/01/27/71/134012771.db2.gz QNIQSIFKUPDDQJ-UHFFFAOYSA-N 1 2 220.276 0.440 20 0 BCADLO CC1=CCN(C(=O)[C@H]2COCC[N@H+]2C)CC1 ZINC000335937724 134013394 /nfs/dbraw/zinc/01/33/94/134013394.db2.gz FHVNEOWBGZHOQK-LLVKDONJSA-N 1 2 224.304 0.496 20 0 BCADLO CC1=CCN(C(=O)[C@H]2COCC[N@@H+]2C)CC1 ZINC000335937724 134013395 /nfs/dbraw/zinc/01/33/95/134013395.db2.gz FHVNEOWBGZHOQK-LLVKDONJSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H](F)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000335938575 134013703 /nfs/dbraw/zinc/01/37/03/134013703.db2.gz UKMSXRRKQSWUOF-SSDOTTSWSA-N 1 2 214.244 0.547 20 0 BCADLO C[C@@H](F)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000335938575 134013704 /nfs/dbraw/zinc/01/37/04/134013704.db2.gz UKMSXRRKQSWUOF-SSDOTTSWSA-N 1 2 214.244 0.547 20 0 BCADLO CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335943870 134018959 /nfs/dbraw/zinc/01/89/59/134018959.db2.gz WRYWLFQZCIZNEB-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335959202 134023929 /nfs/dbraw/zinc/02/39/29/134023929.db2.gz QSGGBRKXJGPGBV-ONGXEEELSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335959202 134023930 /nfs/dbraw/zinc/02/39/30/134023930.db2.gz QSGGBRKXJGPGBV-ONGXEEELSA-N 1 2 232.299 0.260 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335958953 134024079 /nfs/dbraw/zinc/02/40/79/134024079.db2.gz IKCWBYDRUDPRMM-GXSJLCMTSA-N 1 2 230.283 0.061 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCC[C@](F)(CO)C1 ZINC000335958953 134024080 /nfs/dbraw/zinc/02/40/80/134024080.db2.gz IKCWBYDRUDPRMM-GXSJLCMTSA-N 1 2 230.283 0.061 20 0 BCADLO O=C(C[N@H+]1CCC[C@@](F)(CO)C1)N1CCCC1 ZINC000335959158 134024304 /nfs/dbraw/zinc/02/43/04/134024304.db2.gz IEPXXWJNUHLUAD-LBPRGKRZSA-N 1 2 244.310 0.405 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000335964269 134027574 /nfs/dbraw/zinc/02/75/74/134027574.db2.gz WECUUYRMEPANGC-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000335964268 134027853 /nfs/dbraw/zinc/02/78/53/134027853.db2.gz WECUUYRMEPANGC-MFKMUULPSA-N 1 2 249.314 0.741 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000335966090 134027991 /nfs/dbraw/zinc/02/79/91/134027991.db2.gz MQXLYIFTCNOHET-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000335966090 134027992 /nfs/dbraw/zinc/02/79/92/134027992.db2.gz MQXLYIFTCNOHET-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO O=C(C[N@H+]1CCc2ccc(O)cc2C1)N1CCC1 ZINC000336002425 134047578 /nfs/dbraw/zinc/04/75/78/134047578.db2.gz VATYVCURAOJECD-UHFFFAOYSA-N 1 2 246.310 0.983 20 0 BCADLO O=C(C[N@@H+]1CCc2ccc(O)cc2C1)N1CCC1 ZINC000336002425 134047579 /nfs/dbraw/zinc/04/75/79/134047579.db2.gz VATYVCURAOJECD-UHFFFAOYSA-N 1 2 246.310 0.983 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000336010841 134050715 /nfs/dbraw/zinc/05/07/15/134050715.db2.gz MDSASWZCECFAKD-SNVBAGLBSA-N 1 2 213.256 0.624 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000336010841 134050716 /nfs/dbraw/zinc/05/07/16/134050716.db2.gz MDSASWZCECFAKD-SNVBAGLBSA-N 1 2 213.256 0.624 20 0 BCADLO C[N@H+](Cc1ccc(F)cn1)[C@H]1CCNC1=O ZINC000336051958 134065226 /nfs/dbraw/zinc/06/52/26/134065226.db2.gz CJRQXTDNBFBHSV-JTQLQIEISA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCNC1=O ZINC000336051958 134065227 /nfs/dbraw/zinc/06/52/27/134065227.db2.gz CJRQXTDNBFBHSV-JTQLQIEISA-N 1 2 223.251 0.541 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCc2c[nH+]c[nH]2)C1(F)F ZINC000336023970 134065379 /nfs/dbraw/zinc/06/53/79/134065379.db2.gz BHZVAEHCRJQRMY-IYSWYEEDSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCc2c[nH]c[nH+]2)C1(F)F ZINC000336023970 134065380 /nfs/dbraw/zinc/06/53/80/134065380.db2.gz BHZVAEHCRJQRMY-IYSWYEEDSA-N 1 2 215.203 0.927 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)CO)cc2n1C ZINC000336059866 134067539 /nfs/dbraw/zinc/06/75/39/134067539.db2.gz PZYUAHLIWPHCNU-MRVPVSSYSA-N 1 2 247.298 0.992 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094486 134079773 /nfs/dbraw/zinc/07/97/73/134079773.db2.gz HERXXGSBULAKMW-HTQZYQBOSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094486 134079774 /nfs/dbraw/zinc/07/97/74/134079774.db2.gz HERXXGSBULAKMW-HTQZYQBOSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336094486 134079775 /nfs/dbraw/zinc/07/97/75/134079775.db2.gz HERXXGSBULAKMW-HTQZYQBOSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336094486 134079776 /nfs/dbraw/zinc/07/97/76/134079776.db2.gz HERXXGSBULAKMW-HTQZYQBOSA-N 1 2 208.265 0.455 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000352209472 134107312 /nfs/dbraw/zinc/10/73/12/134107312.db2.gz BSCFCCGZPKDOOL-MWLCHTKSSA-N 1 2 235.287 0.656 20 0 BCADLO CCc1nc(C[N@H+](CC)C[C@H](C)O)no1 ZINC000352209664 134107565 /nfs/dbraw/zinc/10/75/65/134107565.db2.gz CIHRPGYUXONSEJ-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](CC)C[C@H](C)O)no1 ZINC000352209664 134107566 /nfs/dbraw/zinc/10/75/66/134107566.db2.gz CIHRPGYUXONSEJ-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO COCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362723464 134213950 /nfs/dbraw/zinc/21/39/50/134213950.db2.gz HPVGIBAYXOQMLY-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO COCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362723464 134213951 /nfs/dbraw/zinc/21/39/51/134213951.db2.gz HPVGIBAYXOQMLY-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@@H](CO)OC[C@@H]1C ZINC000168640969 134236962 /nfs/dbraw/zinc/23/69/62/134236962.db2.gz WIMCUQUCKZPAKS-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249937 134252424 /nfs/dbraw/zinc/25/24/24/134252424.db2.gz VHRILLIQNLIZBD-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO CC(=O)N1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171914438 134263035 /nfs/dbraw/zinc/26/30/35/134263035.db2.gz VRAOXNASSWDPPU-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(N)=O ZINC000172613513 134268637 /nfs/dbraw/zinc/26/86/37/134268637.db2.gz UWDXVUNXYZDPQB-HTQZYQBOSA-N 1 2 233.275 0.254 20 0 BCADLO CNC(=O)CC1CC[NH+](CC(=O)OC)CC1 ZINC000174996455 134284134 /nfs/dbraw/zinc/28/41/34/134284134.db2.gz MEMUSUOOGIDBHW-UHFFFAOYSA-N 1 2 228.292 0.008 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C1CC1 ZINC000175247321 134286495 /nfs/dbraw/zinc/28/64/95/134286495.db2.gz YNHCRXZPXMWXES-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO COc1ncccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000176818857 134294538 /nfs/dbraw/zinc/29/45/38/134294538.db2.gz ISEUXGIYIYDGIE-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO COc1ncccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000176818857 134294539 /nfs/dbraw/zinc/29/45/39/134294539.db2.gz ISEUXGIYIYDGIE-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO CC[C@](C)([NH2+]Cc1nc(C(C)C)no1)C(N)=O ZINC000177575262 134300224 /nfs/dbraw/zinc/30/02/24/134300224.db2.gz IOLXILQJJMSWAA-NSHDSACASA-N 1 2 240.307 0.937 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000178148712 134306926 /nfs/dbraw/zinc/30/69/26/134306926.db2.gz DWYPBNMDPXUDEZ-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c[nH+]c[nH]1 ZINC000179643768 134322863 /nfs/dbraw/zinc/32/28/63/134322863.db2.gz BUNZNAKNRGYCOT-NXEZZACHSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c[nH]c[nH+]1 ZINC000179643768 134322864 /nfs/dbraw/zinc/32/28/64/134322864.db2.gz BUNZNAKNRGYCOT-NXEZZACHSA-N 1 2 239.275 0.172 20 0 BCADLO c1nc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c[nH]1 ZINC000179845657 134324382 /nfs/dbraw/zinc/32/43/82/134324382.db2.gz VTEYDKMTACHQSM-LBPRGKRZSA-N 1 2 236.319 0.316 20 0 BCADLO c1ncc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)[nH]1 ZINC000179845657 134324383 /nfs/dbraw/zinc/32/43/83/134324383.db2.gz VTEYDKMTACHQSM-LBPRGKRZSA-N 1 2 236.319 0.316 20 0 BCADLO c1ncc(C[N@H+]2CC[C@H](N3CCOCC3)C2)[nH]1 ZINC000179845657 134324384 /nfs/dbraw/zinc/32/43/84/134324384.db2.gz VTEYDKMTACHQSM-LBPRGKRZSA-N 1 2 236.319 0.316 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405059 134326991 /nfs/dbraw/zinc/32/69/91/134326991.db2.gz KYBHPWQYLFQSKL-SECBINFHSA-N 1 2 222.292 0.639 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405059 134326992 /nfs/dbraw/zinc/32/69/92/134326992.db2.gz KYBHPWQYLFQSKL-SECBINFHSA-N 1 2 222.292 0.639 20 0 BCADLO COC(=O)c1occc1C[NH2+]C1(C(N)=O)CC1 ZINC000181726073 134338602 /nfs/dbraw/zinc/33/86/02/134338602.db2.gz HBYJJTGWNDNAFP-UHFFFAOYSA-N 1 2 238.243 0.174 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000225830203 134355718 /nfs/dbraw/zinc/35/57/18/134355718.db2.gz GUBPHUYBSPJZJB-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000225830203 134355719 /nfs/dbraw/zinc/35/57/19/134355719.db2.gz GUBPHUYBSPJZJB-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO CC[N@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319932 134360329 /nfs/dbraw/zinc/36/03/29/134360329.db2.gz YBWIPPXWNSLUJF-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319932 134360330 /nfs/dbraw/zinc/36/03/30/134360330.db2.gz YBWIPPXWNSLUJF-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)C(F)F ZINC000226572863 134366693 /nfs/dbraw/zinc/36/66/93/134366693.db2.gz PBMQXTAXFWMFOS-LURJTMIESA-N 1 2 243.217 0.401 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000184653411 134367419 /nfs/dbraw/zinc/36/74/19/134367419.db2.gz AGCISXLBIUBVDQ-UWVGGRQHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000184653411 134367420 /nfs/dbraw/zinc/36/74/20/134367420.db2.gz AGCISXLBIUBVDQ-UWVGGRQHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000184653392 134367560 /nfs/dbraw/zinc/36/75/60/134367560.db2.gz AGCISXLBIUBVDQ-ZJUUUORDSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000184653392 134367561 /nfs/dbraw/zinc/36/75/61/134367561.db2.gz AGCISXLBIUBVDQ-ZJUUUORDSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000184838124 134369498 /nfs/dbraw/zinc/36/94/98/134369498.db2.gz VBQULZUQBBTNBV-NWDGAFQWSA-N 1 2 240.347 0.727 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757132 134370983 /nfs/dbraw/zinc/37/09/83/134370983.db2.gz BIHXIYNYTUAHSH-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757132 134370984 /nfs/dbraw/zinc/37/09/84/134370984.db2.gz BIHXIYNYTUAHSH-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1ncnn1C ZINC000185341365 134376897 /nfs/dbraw/zinc/37/68/97/134376897.db2.gz JSLLEGMCMWTQDO-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ncnn1C ZINC000185341365 134376898 /nfs/dbraw/zinc/37/68/98/134376898.db2.gz JSLLEGMCMWTQDO-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO Cc1nc(N2C[C@H](CO)OC[C@H]2C)cc[nH+]1 ZINC000227393061 134379524 /nfs/dbraw/zinc/37/95/24/134379524.db2.gz SBVHKMPJQCDVAU-PSASIEDQSA-N 1 2 223.276 0.371 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2ccccc12 ZINC000227276353 134379975 /nfs/dbraw/zinc/37/99/75/134379975.db2.gz LJZNTXIWVSRGGF-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO CCOC(=O)[C@@H]1CCCN1Cc1c[nH+]c[nH]1 ZINC000185587941 134382233 /nfs/dbraw/zinc/38/22/33/134382233.db2.gz MJYVBDVCICWPCW-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CCOC(=O)[C@@H]1CCCN1Cc1c[nH]c[nH+]1 ZINC000185587941 134382234 /nfs/dbraw/zinc/38/22/34/134382234.db2.gz MJYVBDVCICWPCW-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC[C@@H](O)C3)c2C1 ZINC000408082525 134389503 /nfs/dbraw/zinc/38/95/03/134389503.db2.gz QPQZKGFMWPXTOT-SECBINFHSA-N 1 2 234.303 0.036 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CC[C@@H](O)C3)c2C1 ZINC000408082525 134389504 /nfs/dbraw/zinc/38/95/04/134389504.db2.gz QPQZKGFMWPXTOT-SECBINFHSA-N 1 2 234.303 0.036 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC1(C)COC1)C1CC1 ZINC000227770120 134394136 /nfs/dbraw/zinc/39/41/36/134394136.db2.gz YKSZRYFATMMOFT-VIFPVBQESA-N 1 2 213.277 0.564 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC ZINC000050064945 134646020 /nfs/dbraw/zinc/64/60/20/134646020.db2.gz KGTSXUWAAVMYAO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)CC ZINC000050064945 134646022 /nfs/dbraw/zinc/64/60/22/134646022.db2.gz KGTSXUWAAVMYAO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070634366 135000878 /nfs/dbraw/zinc/00/08/78/135000878.db2.gz PUNUKDXGICRMCI-RNFRBKRXSA-N 1 2 213.306 0.928 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCOC1 ZINC000070650803 135003188 /nfs/dbraw/zinc/00/31/88/135003188.db2.gz GFYNAEQQFWTBEK-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccnn1C ZINC000070650809 135003272 /nfs/dbraw/zinc/00/32/72/135003272.db2.gz QOMIXANPIGRSCE-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000248554260 135003830 /nfs/dbraw/zinc/00/38/30/135003830.db2.gz AGCISXLBIUBVDQ-VHSXEESVSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000248554260 135003831 /nfs/dbraw/zinc/00/38/31/135003831.db2.gz AGCISXLBIUBVDQ-VHSXEESVSA-N 1 2 226.320 0.764 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnns1 ZINC000070651592 135005092 /nfs/dbraw/zinc/00/50/92/135005092.db2.gz GFAFFZDRKPUVSH-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cncc(O)c1 ZINC000070819807 135013404 /nfs/dbraw/zinc/01/34/04/135013404.db2.gz PHFWSVKOPNPOKB-UHFFFAOYSA-N 1 2 218.216 0.440 20 0 BCADLO COC[C@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000248639337 135017576 /nfs/dbraw/zinc/01/75/76/135017576.db2.gz XOMBQQJZOQRQGO-WDEREUQCSA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000248639337 135017578 /nfs/dbraw/zinc/01/75/78/135017578.db2.gz XOMBQQJZOQRQGO-WDEREUQCSA-N 1 2 237.303 0.885 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000248755807 135020174 /nfs/dbraw/zinc/02/01/74/135020174.db2.gz CPTQOQMFBQPURW-IVZWLZJFSA-N 1 2 213.277 0.707 20 0 BCADLO CCC(=O)CC[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000248999813 135029415 /nfs/dbraw/zinc/02/94/15/135029415.db2.gz IHOLTLCEKOTOJE-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000248999813 135029416 /nfs/dbraw/zinc/02/94/16/135029416.db2.gz IHOLTLCEKOTOJE-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249008459 135029937 /nfs/dbraw/zinc/02/99/37/135029937.db2.gz JEZNQQHZNNELRU-QWRGUYRKSA-N 1 2 243.303 0.354 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249008459 135029938 /nfs/dbraw/zinc/02/99/38/135029938.db2.gz JEZNQQHZNNELRU-QWRGUYRKSA-N 1 2 243.303 0.354 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](C)C1 ZINC000249110698 135033926 /nfs/dbraw/zinc/03/39/26/135033926.db2.gz XUAOUGZTFTYTNQ-NEPJUHHUSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](C)C1 ZINC000249110698 135033929 /nfs/dbraw/zinc/03/39/29/135033929.db2.gz XUAOUGZTFTYTNQ-NEPJUHHUSA-N 1 2 228.336 0.428 20 0 BCADLO CCSCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249313650 135043031 /nfs/dbraw/zinc/04/30/31/135043031.db2.gz FCIPJQXQWJQLDE-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCSCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249313650 135043034 /nfs/dbraw/zinc/04/30/34/135043034.db2.gz FCIPJQXQWJQLDE-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251135506 135064715 /nfs/dbraw/zinc/06/47/15/135064715.db2.gz HRBQBAKULITRJP-SZEHBUNVSA-N 1 2 213.277 0.563 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@H](C)C1 ZINC000251796964 135077972 /nfs/dbraw/zinc/07/79/72/135077972.db2.gz NTCUMDRZNWHYOW-PSASIEDQSA-N 1 2 213.277 0.659 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@H](C)C1 ZINC000251796964 135077974 /nfs/dbraw/zinc/07/79/74/135077974.db2.gz NTCUMDRZNWHYOW-PSASIEDQSA-N 1 2 213.277 0.659 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000086594135 135091059 /nfs/dbraw/zinc/09/10/59/135091059.db2.gz URASGMSZFFFBJX-SSDOTTSWSA-N 1 2 217.265 0.337 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765794 135096381 /nfs/dbraw/zinc/09/63/81/135096381.db2.gz YXNZOWNLIPHNFJ-SSDOTTSWSA-N 1 2 213.306 0.946 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1cnc(N)s1 ZINC000086765794 135096383 /nfs/dbraw/zinc/09/63/83/135096383.db2.gz YXNZOWNLIPHNFJ-SSDOTTSWSA-N 1 2 213.306 0.946 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@H](CO)C2)n1 ZINC000086831566 135097681 /nfs/dbraw/zinc/09/76/81/135097681.db2.gz AHYZYHGQYUDDFS-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@H](CO)C2)n1 ZINC000086831566 135097682 /nfs/dbraw/zinc/09/76/82/135097682.db2.gz AHYZYHGQYUDDFS-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C(=O)OC ZINC000252967726 135118425 /nfs/dbraw/zinc/11/84/25/135118425.db2.gz YGPALDNCGORISY-VGMNWLOBSA-N 1 2 203.282 0.545 20 0 BCADLO NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000078454048 135124707 /nfs/dbraw/zinc/12/47/07/135124707.db2.gz CYUPVJXMQFNWME-UHFFFAOYSA-N 1 2 220.276 0.719 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263710743 135128049 /nfs/dbraw/zinc/12/80/49/135128049.db2.gz PFWBZBDUOUGISN-CYBMUJFWSA-N 1 2 248.326 0.978 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263710743 135128050 /nfs/dbraw/zinc/12/80/50/135128050.db2.gz PFWBZBDUOUGISN-CYBMUJFWSA-N 1 2 248.326 0.978 20 0 BCADLO CCOC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000261102122 135149397 /nfs/dbraw/zinc/14/93/97/135149397.db2.gz YPQMUKYGKBOTKZ-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000261102122 135149398 /nfs/dbraw/zinc/14/93/98/135149398.db2.gz YPQMUKYGKBOTKZ-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261545226 135186770 /nfs/dbraw/zinc/18/67/70/135186770.db2.gz JRDLFOFCERJGEE-SSDOTTSWSA-N 1 2 222.235 0.136 20 0 BCADLO CCOCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261545227 135186843 /nfs/dbraw/zinc/18/68/43/135186843.db2.gz JRDLFOFCERJGEE-ZETCQYMHSA-N 1 2 222.235 0.136 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298642739 135200224 /nfs/dbraw/zinc/20/02/24/135200224.db2.gz FMWCWTJNLCAMSU-ZJUUUORDSA-N 1 2 237.303 0.804 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000261856703 135257643 /nfs/dbraw/zinc/25/76/43/135257643.db2.gz ACGITWPFFYKMPW-HRDYMLBCSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H]([NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000261916975 135262609 /nfs/dbraw/zinc/26/26/09/135262609.db2.gz XDFHTLVCBWGZIS-ZCFIWIBFSA-N 1 2 219.248 0.634 20 0 BCADLO Cn1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1 ZINC000342383672 135269424 /nfs/dbraw/zinc/26/94/24/135269424.db2.gz PFOLGHGKIGUARQ-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH+]ccn2C)c(O)c1 ZINC000342409419 135272565 /nfs/dbraw/zinc/27/25/65/135272565.db2.gz CPJCFQZSGXKARH-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cncn1C ZINC000342629043 135297917 /nfs/dbraw/zinc/29/79/17/135297917.db2.gz DDVZYYRWSRNXRU-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cncn1C ZINC000342629043 135297918 /nfs/dbraw/zinc/29/79/18/135297918.db2.gz DDVZYYRWSRNXRU-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)N(C)Cc1c[nH+]cn1C ZINC000342629043 135297920 /nfs/dbraw/zinc/29/79/20/135297920.db2.gz DDVZYYRWSRNXRU-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)nn1C ZINC000342651584 135307445 /nfs/dbraw/zinc/30/74/45/135307445.db2.gz YJFIBFUKSFYFJJ-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)nn1C ZINC000342651584 135307447 /nfs/dbraw/zinc/30/74/47/135307447.db2.gz YJFIBFUKSFYFJJ-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1c[nH+]c(CN2CCn3cnnc3[C@H]2C)n1C ZINC000342711272 135313068 /nfs/dbraw/zinc/31/30/68/135313068.db2.gz WCOZWWCKTIYATB-SNVBAGLBSA-N 1 2 246.318 0.897 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@@H](C)C[S@@](C)=O)n1C ZINC000342780367 135317812 /nfs/dbraw/zinc/31/78/12/135317812.db2.gz PIZWEVCYCCOUAU-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1c[nH+]c(CN2CCn3ncnc3C2)n1C ZINC000342784718 135318688 /nfs/dbraw/zinc/31/86/88/135318688.db2.gz VWNUQLXFQVFMHK-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cnc(C[N@H+](C)C2CC(O)C2)n1C ZINC000342795757 135319785 /nfs/dbraw/zinc/31/97/85/135319785.db2.gz HLCQBIZATOLTPP-UHFFFAOYSA-N 1 2 209.293 0.684 20 0 BCADLO Cc1cnc(C[N@@H+](C)C2CC(O)C2)n1C ZINC000342795757 135319787 /nfs/dbraw/zinc/31/97/87/135319787.db2.gz HLCQBIZATOLTPP-UHFFFAOYSA-N 1 2 209.293 0.684 20 0 BCADLO Cc1c[nH+]c(CN(C)C2CC(O)C2)n1C ZINC000342795757 135319789 /nfs/dbraw/zinc/31/97/89/135319789.db2.gz HLCQBIZATOLTPP-UHFFFAOYSA-N 1 2 209.293 0.684 20 0 BCADLO Cc1c[nH+]c(CN2CCS(=O)CC2)n1C ZINC000342796387 135319864 /nfs/dbraw/zinc/31/98/64/135319864.db2.gz YKDDQEFZFARACL-UHFFFAOYSA-N 1 2 227.333 0.293 20 0 BCADLO O=C(NCc1ccncc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262901633 135323346 /nfs/dbraw/zinc/32/33/46/135323346.db2.gz DRBGBELYXZEQPE-VIFPVBQESA-N 1 2 241.241 0.695 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262991425 135325972 /nfs/dbraw/zinc/32/59/72/135325972.db2.gz NSDSAHKEWGIJQC-SFYZADRCSA-N 1 2 234.246 0.231 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](O)C3(CC3)C2)n1C ZINC000342769490 135326391 /nfs/dbraw/zinc/32/63/91/135326391.db2.gz SHLODVYWBPDTKV-JTQLQIEISA-N 1 2 221.304 0.685 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](CO)OC[C@@H]2C)n1C ZINC000342775641 135327233 /nfs/dbraw/zinc/32/72/33/135327233.db2.gz HPUJENUKTRKJRE-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263036669 135327962 /nfs/dbraw/zinc/32/79/62/135327962.db2.gz SIGQAOPCGXVMAX-HTQZYQBOSA-N 1 2 234.246 0.279 20 0 BCADLO O=C(NCc1cscn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263047975 135328835 /nfs/dbraw/zinc/32/88/35/135328835.db2.gz UGMROZJGFJFAMY-SSDOTTSWSA-N 1 2 247.270 0.757 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000334297357 135335116 /nfs/dbraw/zinc/33/51/16/135335116.db2.gz CVMWHFBDCDOZIE-UWVGGRQHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000334297357 135335118 /nfs/dbraw/zinc/33/51/18/135335118.db2.gz CVMWHFBDCDOZIE-UWVGGRQHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000334297362 135335123 /nfs/dbraw/zinc/33/51/23/135335123.db2.gz CVMWHFBDCDOZIE-ZJUUUORDSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000334297362 135335124 /nfs/dbraw/zinc/33/51/24/135335124.db2.gz CVMWHFBDCDOZIE-ZJUUUORDSA-N 1 2 238.331 0.907 20 0 BCADLO CO[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263162495 135336212 /nfs/dbraw/zinc/33/62/12/135336212.db2.gz DYTAMQZUNMUNGG-RKDXNWHRSA-N 1 2 248.273 0.621 20 0 BCADLO CCc1nc(N2CC(=O)N(C)C2)cc(C)[nH+]1 ZINC000342932288 135336232 /nfs/dbraw/zinc/33/62/32/135336232.db2.gz AKZPSENQJGDLGC-UHFFFAOYSA-N 1 2 220.276 0.583 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263203983 135339662 /nfs/dbraw/zinc/33/96/62/135339662.db2.gz JMFHRSLISYCQEL-HLTSFMKQSA-N 1 2 248.273 0.667 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263269598 135343675 /nfs/dbraw/zinc/34/36/75/135343675.db2.gz RZHXWQBEDGKSIF-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO CNC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334325354 135353583 /nfs/dbraw/zinc/35/35/83/135353583.db2.gz AUBWKRGWGNDCMI-UHFFFAOYSA-N 1 2 246.310 0.985 20 0 BCADLO CNC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334325354 135353584 /nfs/dbraw/zinc/35/35/84/135353584.db2.gz AUBWKRGWGNDCMI-UHFFFAOYSA-N 1 2 246.310 0.985 20 0 BCADLO CCn1cc(CNC(=O)Cn2cc[nH+]c2)cn1 ZINC000343138318 135359727 /nfs/dbraw/zinc/35/97/27/135359727.db2.gz CNPBXPZVZNMPGX-UHFFFAOYSA-N 1 2 233.275 0.416 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[S@]1=O ZINC000334344881 135365621 /nfs/dbraw/zinc/36/56/21/135365621.db2.gz OFZRNPFYPWDWGI-MGPLVRAMSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[S@]1=O ZINC000334344881 135365622 /nfs/dbraw/zinc/36/56/22/135365622.db2.gz OFZRNPFYPWDWGI-MGPLVRAMSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[S@]1=O ZINC000334344879 135365969 /nfs/dbraw/zinc/36/59/69/135365969.db2.gz OFZRNPFYPWDWGI-QLJPJBMISA-N 1 2 241.360 0.415 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[S@]1=O ZINC000334344879 135365970 /nfs/dbraw/zinc/36/59/70/135365970.db2.gz OFZRNPFYPWDWGI-QLJPJBMISA-N 1 2 241.360 0.415 20 0 BCADLO COCC[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000282096413 135370875 /nfs/dbraw/zinc/37/08/75/135370875.db2.gz CWTPGGMHFJCUBU-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000334377505 135378114 /nfs/dbraw/zinc/37/81/14/135378114.db2.gz FXIXBXQQFBRZQO-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000334377505 135378115 /nfs/dbraw/zinc/37/81/15/135378115.db2.gz FXIXBXQQFBRZQO-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO Cc1nnc(NCc2[nH+]ccn2C)nc1C ZINC000164494077 135380320 /nfs/dbraw/zinc/38/03/20/135380320.db2.gz CWYQUOLSVBMWRB-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCc1nnc[nH]1 ZINC000080590113 135382954 /nfs/dbraw/zinc/38/29/54/135382954.db2.gz WOGLZVDHWWOMNI-UHFFFAOYSA-N 1 2 244.262 0.136 20 0 BCADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081485019 135387587 /nfs/dbraw/zinc/38/75/87/135387587.db2.gz QDZVVWCDRQRWMW-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081485019 135387588 /nfs/dbraw/zinc/38/75/88/135387588.db2.gz QDZVVWCDRQRWMW-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(CC(F)(F)F)C[C@@H]21 ZINC000334402607 135391002 /nfs/dbraw/zinc/39/10/02/135391002.db2.gz HMYYFUTVHQGILV-DTWKUNHWSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(CC(F)(F)F)C[C@@H]21 ZINC000334402607 135391004 /nfs/dbraw/zinc/39/10/04/135391004.db2.gz HMYYFUTVHQGILV-DTWKUNHWSA-N 1 2 238.253 0.954 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000334284692 135399022 /nfs/dbraw/zinc/39/90/22/135399022.db2.gz BDPQGTNYELQDEU-SECBINFHSA-N 1 2 242.323 0.599 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccsc2Cl)C[C@H]1O ZINC000334571274 135730284 /nfs/dbraw/zinc/73/02/84/135730284.db2.gz JPFXMSJGPSWOGK-HTQZYQBOSA-N 1 2 233.720 0.939 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)N(C)[C@H](C)C1 ZINC000334933543 135844973 /nfs/dbraw/zinc/84/49/73/135844973.db2.gz XUYJLTCKUAWQFK-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO COC(=O)C(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000346774194 135972857 /nfs/dbraw/zinc/97/28/57/135972857.db2.gz USEZRKKHGRVRHZ-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO CCOCC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113517689 135991722 /nfs/dbraw/zinc/99/17/22/135991722.db2.gz RUUOHJKUKMOSQY-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CCOCC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113517689 135991723 /nfs/dbraw/zinc/99/17/23/135991723.db2.gz RUUOHJKUKMOSQY-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)C[C@@](C)(O)C(C)=O ZINC000347723820 136003597 /nfs/dbraw/zinc/00/35/97/136003597.db2.gz SXNRDGVXLOQDGH-GFCCVEGCSA-N 1 2 244.335 0.127 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)C[C@@](C)(O)C(C)=O ZINC000347723820 136003598 /nfs/dbraw/zinc/00/35/98/136003598.db2.gz SXNRDGVXLOQDGH-GFCCVEGCSA-N 1 2 244.335 0.127 20 0 BCADLO CC[C@H](NC(=O)c1nccnc1N)c1[nH]cc[nH+]1 ZINC000347944156 136019584 /nfs/dbraw/zinc/01/95/84/136019584.db2.gz DMLJHMFXWUQJHX-ZETCQYMHSA-N 1 2 246.274 0.663 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCOC1 ZINC000348005648 136021031 /nfs/dbraw/zinc/02/10/31/136021031.db2.gz HJWCZEOJVOZDOH-CMPLNLGQSA-N 1 2 237.303 0.814 20 0 BCADLO Cn1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000335314838 136032365 /nfs/dbraw/zinc/03/23/65/136032365.db2.gz IVCGINNLFQDFPJ-VXGBXAGGSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000335314838 136032366 /nfs/dbraw/zinc/03/23/66/136032366.db2.gz IVCGINNLFQDFPJ-VXGBXAGGSA-N 1 2 249.314 0.180 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)n1 ZINC000348097404 136035498 /nfs/dbraw/zinc/03/54/98/136035498.db2.gz VCMHPCHCLUAJKO-RQJHMYQMSA-N 1 2 238.291 0.696 20 0 BCADLO C[C@@H]1CCSCC[N@@H+]1Cc1nnnn1C ZINC000348168302 136042180 /nfs/dbraw/zinc/04/21/80/136042180.db2.gz QKOJAYWISCZHSH-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CCSCC[N@H+]1Cc1nnnn1C ZINC000348168302 136042181 /nfs/dbraw/zinc/04/21/81/136042181.db2.gz QKOJAYWISCZHSH-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CCSCC[N@@H+]1Cc1nnnn1C ZINC000348168303 136042342 /nfs/dbraw/zinc/04/23/42/136042342.db2.gz QKOJAYWISCZHSH-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CCSCC[N@H+]1Cc1nnnn1C ZINC000348168303 136042343 /nfs/dbraw/zinc/04/23/43/136042343.db2.gz QKOJAYWISCZHSH-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348185669 136044411 /nfs/dbraw/zinc/04/44/11/136044411.db2.gz CANNPLZWARZKOQ-QFYYESIMSA-N 1 2 249.376 0.227 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348185669 136044412 /nfs/dbraw/zinc/04/44/12/136044412.db2.gz CANNPLZWARZKOQ-QFYYESIMSA-N 1 2 249.376 0.227 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@H](C)[S@@]1=O ZINC000348224364 136047799 /nfs/dbraw/zinc/04/77/99/136047799.db2.gz RPSWZWMCSSYBPM-QOBXEIRBSA-N 1 2 217.334 0.617 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@H](C)[S@@]1=O ZINC000348224364 136047800 /nfs/dbraw/zinc/04/78/00/136047800.db2.gz RPSWZWMCSSYBPM-QOBXEIRBSA-N 1 2 217.334 0.617 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)CSC)C1CC1 ZINC000348236164 136061083 /nfs/dbraw/zinc/06/10/83/136061083.db2.gz WYOHXRWRPBAIDS-VIFPVBQESA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)CSC)C1CC1 ZINC000348236164 136061084 /nfs/dbraw/zinc/06/10/84/136061084.db2.gz WYOHXRWRPBAIDS-VIFPVBQESA-N 1 2 233.333 0.348 20 0 BCADLO CN(C)c1[nH+]cccc1CN1C(=O)CN(C)C1=O ZINC000348239045 136061871 /nfs/dbraw/zinc/06/18/71/136061871.db2.gz FWJGMKPSJOKMSK-UHFFFAOYSA-N 1 2 248.286 0.542 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000348239156 136061898 /nfs/dbraw/zinc/06/18/98/136061898.db2.gz PIVBBPXKYIWRIV-JTQLQIEISA-N 1 2 226.280 0.511 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000348239156 136061899 /nfs/dbraw/zinc/06/18/99/136061899.db2.gz PIVBBPXKYIWRIV-JTQLQIEISA-N 1 2 226.280 0.511 20 0 BCADLO CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCC1 ZINC000335340616 136063904 /nfs/dbraw/zinc/06/39/04/136063904.db2.gz FQTDJDKMUSXGBO-LLVKDONJSA-N 1 2 237.347 0.293 20 0 BCADLO O=C(NCC1(O)CCC1)c1ccc2[nH+]ccn2c1 ZINC000335353080 136070133 /nfs/dbraw/zinc/07/01/33/136070133.db2.gz NPKVUWPTIVTNFZ-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccnn1C ZINC000348366846 136073026 /nfs/dbraw/zinc/07/30/26/136073026.db2.gz JATAJBYEXPCLEN-VIFPVBQESA-N 1 2 224.308 0.329 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccnn1C ZINC000348366846 136073027 /nfs/dbraw/zinc/07/30/27/136073027.db2.gz JATAJBYEXPCLEN-VIFPVBQESA-N 1 2 224.308 0.329 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348366187 136073198 /nfs/dbraw/zinc/07/31/98/136073198.db2.gz HRHYVMWPBSGLPF-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348366187 136073199 /nfs/dbraw/zinc/07/31/99/136073199.db2.gz HRHYVMWPBSGLPF-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CN(Cc1ccnn1C)Cc1[nH]cc[nH+]1 ZINC000348383974 136074519 /nfs/dbraw/zinc/07/45/19/136074519.db2.gz ZTJAGNFCEIYHMW-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO [NH3+][C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000335391130 136091012 /nfs/dbraw/zinc/09/10/12/136091012.db2.gz VKVLNWFMOVZXQM-SSDOTTSWSA-N 1 2 242.225 0.844 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@H](O)C2)c[nH+]1 ZINC000335400486 136094099 /nfs/dbraw/zinc/09/40/99/136094099.db2.gz JYGVVENGQUUTKN-UWVGGRQHSA-N 1 2 237.303 0.999 20 0 BCADLO O=C(NCC1(O)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549744 136097612 /nfs/dbraw/zinc/09/76/12/136097612.db2.gz UVOVOESHQLNXOD-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](O)C1 ZINC000335558073 136100273 /nfs/dbraw/zinc/10/02/73/136100273.db2.gz KYEZOXWPYMIBJC-JQWIXIFHSA-N 1 2 249.314 0.429 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(O)C2)[nH+]1 ZINC000348703473 136116212 /nfs/dbraw/zinc/11/62/12/136116212.db2.gz DJSKTGDNTXQVJG-UHFFFAOYSA-N 1 2 204.233 0.447 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CCCC1 ZINC000348702595 136116408 /nfs/dbraw/zinc/11/64/08/136116408.db2.gz UNHWHKNSHREMRU-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305759723 397799837 /nfs/dbraw/zinc/79/98/37/397799837.db2.gz ISXLHDVPMFVSBI-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305759723 397799840 /nfs/dbraw/zinc/79/98/40/397799840.db2.gz ISXLHDVPMFVSBI-ONGXEEELSA-N 1 2 238.335 0.809 20 0 BCADLO COC[C@H](C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011789 397806005 /nfs/dbraw/zinc/80/60/05/397806005.db2.gz ZVIOCHJRWMBBNH-IUCAKERBSA-N 1 2 241.291 0.990 20 0 BCADLO COC[C@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011789 397806008 /nfs/dbraw/zinc/80/60/08/397806008.db2.gz ZVIOCHJRWMBBNH-IUCAKERBSA-N 1 2 241.291 0.990 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011787 397806249 /nfs/dbraw/zinc/80/62/49/397806249.db2.gz ZVIOCHJRWMBBNH-BDAKNGLRSA-N 1 2 241.291 0.990 20 0 BCADLO COC[C@@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011787 397806254 /nfs/dbraw/zinc/80/62/54/397806254.db2.gz ZVIOCHJRWMBBNH-BDAKNGLRSA-N 1 2 241.291 0.990 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181452465 397807068 /nfs/dbraw/zinc/80/70/68/397807068.db2.gz PFCKVPYPOBIBFL-MNOVXSKESA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181452465 397807071 /nfs/dbraw/zinc/80/70/71/397807071.db2.gz PFCKVPYPOBIBFL-MNOVXSKESA-N 1 2 238.335 0.798 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCC1 ZINC000308804125 397840383 /nfs/dbraw/zinc/84/03/83/397840383.db2.gz FQMLTBBVLHFIDX-UHFFFAOYSA-N 1 2 229.305 0.309 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000308914277 397842836 /nfs/dbraw/zinc/84/28/36/397842836.db2.gz FKTGQRNPPMFYSD-WCBMZHEXSA-N 1 2 215.293 0.953 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000308914279 397843065 /nfs/dbraw/zinc/84/30/65/397843065.db2.gz FKTGQRNPPMFYSD-WPRPVWTQSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@H]1[C@@H]([NH2+]Cc2cscn2)CCS1(=O)=O ZINC000309101765 397851099 /nfs/dbraw/zinc/85/10/99/397851099.db2.gz GCTWHMZSRQMMIO-CBAPKCEASA-N 1 2 246.357 0.808 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000387916263 397866834 /nfs/dbraw/zinc/86/68/34/397866834.db2.gz WXASBYFIYNOEGT-PSASIEDQSA-N 1 2 208.261 0.391 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CO)CCF ZINC000650107401 397927250 /nfs/dbraw/zinc/92/72/50/397927250.db2.gz OEINPEZBWBNVQD-VIFPVBQESA-N 1 2 241.266 0.654 20 0 BCADLO Cn1cc(C(=O)N2CCn3cc[nH+]c3C2)cn1 ZINC000408167614 397968710 /nfs/dbraw/zinc/96/87/10/397968710.db2.gz YLPWJXMRDTYABV-UHFFFAOYSA-N 1 2 231.259 0.273 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)Cn2cccn2)c[nH+]1 ZINC000264832062 397928020 /nfs/dbraw/zinc/92/80/20/397928020.db2.gz JGIBAGWOWWQCES-MRVPVSSYSA-N 1 2 233.275 0.733 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC000650108739 397928767 /nfs/dbraw/zinc/92/87/67/397928767.db2.gz SQPUXDZAUUBFTL-GFCCVEGCSA-N 1 2 246.310 0.942 20 0 BCADLO COc1cccc2c1C[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000650108739 397928770 /nfs/dbraw/zinc/92/87/70/397928770.db2.gz SQPUXDZAUUBFTL-GFCCVEGCSA-N 1 2 246.310 0.942 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cncc(C)n1 ZINC000649537329 397930359 /nfs/dbraw/zinc/93/03/59/397930359.db2.gz AXYDHPHNKDBVJI-LBPRGKRZSA-N 1 2 248.330 0.538 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cncc(C)n1 ZINC000649537329 397930367 /nfs/dbraw/zinc/93/03/67/397930367.db2.gz AXYDHPHNKDBVJI-LBPRGKRZSA-N 1 2 248.330 0.538 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186197 397966157 /nfs/dbraw/zinc/96/61/57/397966157.db2.gz BKVKXLURTBXHPF-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186197 397966163 /nfs/dbraw/zinc/96/61/63/397966163.db2.gz BKVKXLURTBXHPF-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)[nH]n1 ZINC000266968729 397942166 /nfs/dbraw/zinc/94/21/66/397942166.db2.gz KYDKCEHQHIPMSB-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)C(F)(F)F)c[nH+]1 ZINC000267268309 397945172 /nfs/dbraw/zinc/94/51/72/397945172.db2.gz VEGHOPBYSPGRJA-ZCFIWIBFSA-N 1 2 237.181 0.371 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCn1cccn1 ZINC000359321351 397951964 /nfs/dbraw/zinc/95/19/64/397951964.db2.gz RQYFAHCVOSWDDR-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO CSC1(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000335873308 397890148 /nfs/dbraw/zinc/89/01/48/397890148.db2.gz CUESYDJNLJZMCT-UHFFFAOYSA-N 1 2 214.334 0.656 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(C(F)F)C1 ZINC000644807026 397899851 /nfs/dbraw/zinc/89/98/51/397899851.db2.gz AIFLPTQPFYSODT-UHFFFAOYSA-N 1 2 245.229 0.099 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)N1 ZINC000649571531 397962275 /nfs/dbraw/zinc/96/22/75/397962275.db2.gz NKYMJGARLPRBNT-YUMQZZPRSA-N 1 2 218.247 0.995 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)N1 ZINC000649571531 397962276 /nfs/dbraw/zinc/96/22/76/397962276.db2.gz NKYMJGARLPRBNT-YUMQZZPRSA-N 1 2 218.247 0.995 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCn1cccn1 ZINC000111278999 397906802 /nfs/dbraw/zinc/90/68/02/397906802.db2.gz ODFLZFXCSAFGPG-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCn1cccn1 ZINC000111278999 397906806 /nfs/dbraw/zinc/90/68/06/397906806.db2.gz ODFLZFXCSAFGPG-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CCc1cc(C(=O)NCc2[nH]c[nH+]c2C)n(C)n1 ZINC000380178204 397910428 /nfs/dbraw/zinc/91/04/28/397910428.db2.gz PIFMVEHDUXXYLO-UHFFFAOYSA-N 1 2 247.302 0.944 20 0 BCADLO CO[C@H](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264825601 397926845 /nfs/dbraw/zinc/92/68/45/397926845.db2.gz ICQXSVJTQUJRQY-SSDOTTSWSA-N 1 2 211.265 0.873 20 0 BCADLO C[C@H](CNC(=O)C1(C)COC1)Cn1cc[nH+]c1 ZINC000273087759 397990761 /nfs/dbraw/zinc/99/07/61/397990761.db2.gz QTLCYIAPJYXMMW-SNVBAGLBSA-N 1 2 237.303 0.672 20 0 BCADLO CCN1CC[N@H+](Cc2ccn(C)c2)CC1=O ZINC000273369660 397996929 /nfs/dbraw/zinc/99/69/29/397996929.db2.gz DVRSCHWCXURMIN-UHFFFAOYSA-N 1 2 221.304 0.689 20 0 BCADLO CCN1CC[N@@H+](Cc2ccn(C)c2)CC1=O ZINC000273369660 397996931 /nfs/dbraw/zinc/99/69/31/397996931.db2.gz DVRSCHWCXURMIN-UHFFFAOYSA-N 1 2 221.304 0.689 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408187326 397997067 /nfs/dbraw/zinc/99/70/67/397997067.db2.gz MHSMKLGLXDATHW-UMNHJUIQSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408187326 397997072 /nfs/dbraw/zinc/99/70/72/397997072.db2.gz MHSMKLGLXDATHW-UMNHJUIQSA-N 1 2 242.319 0.001 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000372296576 397999623 /nfs/dbraw/zinc/99/96/23/397999623.db2.gz RRABNXIZQTZISJ-JTQLQIEISA-N 1 2 249.314 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000372296576 397999625 /nfs/dbraw/zinc/99/96/25/397999625.db2.gz RRABNXIZQTZISJ-JTQLQIEISA-N 1 2 249.314 0.701 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCCCF ZINC000582777430 398045504 /nfs/dbraw/zinc/04/55/04/398045504.db2.gz JNXJKYMHBYTPRZ-UHFFFAOYSA-N 1 2 213.256 0.829 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372322119 398002353 /nfs/dbraw/zinc/00/23/53/398002353.db2.gz VUNMEQLSAUMUQY-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@]12CCOC2=O)N1CCC1 ZINC000372501509 398004287 /nfs/dbraw/zinc/00/42/87/398004287.db2.gz CZSORPUCMIQJMF-LBPRGKRZSA-N 1 2 238.287 0.000 20 0 BCADLO O=C(C[N@H+]1CCC[C@@]12CCOC2=O)N1CCC1 ZINC000372501509 398004292 /nfs/dbraw/zinc/00/42/92/398004292.db2.gz CZSORPUCMIQJMF-LBPRGKRZSA-N 1 2 238.287 0.000 20 0 BCADLO O=C(C[N@@H+]1CCC[C@]12CCOC2=O)N1CCC1 ZINC000372501507 398004786 /nfs/dbraw/zinc/00/47/86/398004786.db2.gz CZSORPUCMIQJMF-GFCCVEGCSA-N 1 2 238.287 0.000 20 0 BCADLO O=C(C[N@H+]1CCC[C@]12CCOC2=O)N1CCC1 ZINC000372501507 398004789 /nfs/dbraw/zinc/00/47/89/398004789.db2.gz CZSORPUCMIQJMF-GFCCVEGCSA-N 1 2 238.287 0.000 20 0 BCADLO COCc1cc[nH+]c(NCc2cn(C)nn2)c1 ZINC000650243940 398006138 /nfs/dbraw/zinc/00/61/38/398006138.db2.gz VSVXKAOUDITCIM-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO Cc1nc(NC[C@H]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000389095372 398022048 /nfs/dbraw/zinc/02/20/48/398022048.db2.gz DCVQNOZZLZHHAA-APPZFPTMSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCO[C@H](C)C2)[nH+]1 ZINC000389095372 398022049 /nfs/dbraw/zinc/02/20/49/398022049.db2.gz DCVQNOZZLZHHAA-APPZFPTMSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000276739045 398023299 /nfs/dbraw/zinc/02/32/99/398023299.db2.gz CSDOAVBWWMARHY-GFCCVEGCSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000276739045 398023306 /nfs/dbraw/zinc/02/33/06/398023306.db2.gz CSDOAVBWWMARHY-GFCCVEGCSA-N 1 2 248.330 0.915 20 0 BCADLO CC(C)O[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000649698936 398048125 /nfs/dbraw/zinc/04/81/25/398048125.db2.gz FAOISPJFSFWLSX-JTQLQIEISA-N 1 2 239.323 0.600 20 0 BCADLO CC(C)O[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000649698936 398048126 /nfs/dbraw/zinc/04/81/26/398048126.db2.gz FAOISPJFSFWLSX-JTQLQIEISA-N 1 2 239.323 0.600 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC(C3(O)CC3)CC2)[nH]1 ZINC000649671482 398033044 /nfs/dbraw/zinc/03/30/44/398033044.db2.gz XQQRNJWQCTYHFI-UHFFFAOYSA-N 1 2 238.291 0.247 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000277959786 398034468 /nfs/dbraw/zinc/03/44/68/398034468.db2.gz JBHOERZZXNIDHS-MRVPVSSYSA-N 1 2 210.233 0.670 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000277959786 398034472 /nfs/dbraw/zinc/03/44/72/398034472.db2.gz JBHOERZZXNIDHS-MRVPVSSYSA-N 1 2 210.233 0.670 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000361032211 397969486 /nfs/dbraw/zinc/96/94/86/397969486.db2.gz PSHBWIKRMLJYHC-VHSXEESVSA-N 1 2 240.307 0.342 20 0 BCADLO CCN1CC[N@H+](CCc2cncc(C)n2)CC1=O ZINC000649586174 397975997 /nfs/dbraw/zinc/97/59/97/397975997.db2.gz UVZXZMGCAKUVCO-UHFFFAOYSA-N 1 2 248.330 0.492 20 0 BCADLO CCN1CC[N@@H+](CCc2cncc(C)n2)CC1=O ZINC000649586174 397976000 /nfs/dbraw/zinc/97/60/00/397976000.db2.gz UVZXZMGCAKUVCO-UHFFFAOYSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@H](CSCCF)[NH2+]Cc1nnn(C)n1 ZINC000595045978 397979910 /nfs/dbraw/zinc/97/99/10/397979910.db2.gz CMAYZYNGBKOPTA-SSDOTTSWSA-N 1 2 233.316 0.391 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000649589391 397980460 /nfs/dbraw/zinc/98/04/60/397980460.db2.gz QYJYXFOISAQGKZ-LLVKDONJSA-N 1 2 248.330 0.490 20 0 BCADLO Cc1cncc(CC[N@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000649589391 397980465 /nfs/dbraw/zinc/98/04/65/397980465.db2.gz QYJYXFOISAQGKZ-LLVKDONJSA-N 1 2 248.330 0.490 20 0 BCADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000528428710 397986344 /nfs/dbraw/zinc/98/63/44/397986344.db2.gz DRNXEPHVFWRCSD-KSXVILFYSA-N 1 2 246.738 0.654 20 0 BCADLO CO[C@@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000272900312 397988398 /nfs/dbraw/zinc/98/83/98/397988398.db2.gz BLTXEUZWDUQVGE-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO CCc1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000309058488 398065280 /nfs/dbraw/zinc/06/52/80/398065280.db2.gz BNXZSUWTHUFCGY-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000309058488 398065283 /nfs/dbraw/zinc/06/52/83/398065283.db2.gz BNXZSUWTHUFCGY-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO Cc1nc(NC[C@H](C)C2CC2)nc(N)[nH+]1 ZINC000389444893 398092916 /nfs/dbraw/zinc/09/29/16/398092916.db2.gz MGYWXNXSEJWJFH-LURJTMIESA-N 1 2 207.281 0.472 20 0 BCADLO Cc1nc(N)nc(NC[C@H](C)C2CC2)[nH+]1 ZINC000389444893 398092920 /nfs/dbraw/zinc/09/29/20/398092920.db2.gz MGYWXNXSEJWJFH-LURJTMIESA-N 1 2 207.281 0.472 20 0 BCADLO Cc1nc(NC[C@@H](C)C2CC2)nc(N)[nH+]1 ZINC000389444924 398093030 /nfs/dbraw/zinc/09/30/30/398093030.db2.gz MGYWXNXSEJWJFH-ZCFIWIBFSA-N 1 2 207.281 0.472 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)C2CC2)[nH+]1 ZINC000389444924 398093033 /nfs/dbraw/zinc/09/30/33/398093033.db2.gz MGYWXNXSEJWJFH-ZCFIWIBFSA-N 1 2 207.281 0.472 20 0 BCADLO CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000220108802 398093112 /nfs/dbraw/zinc/09/31/12/398093112.db2.gz FBMVYXWVCQUVTD-NSHDSACASA-N 1 2 205.261 0.574 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649761946 398090681 /nfs/dbraw/zinc/09/06/81/398090681.db2.gz QXBYZLREIIVCFD-GHMZBOCLSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649761946 398090686 /nfs/dbraw/zinc/09/06/86/398090686.db2.gz QXBYZLREIIVCFD-GHMZBOCLSA-N 1 2 239.319 0.485 20 0 BCADLO CC[C@@H](O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000582825788 398051338 /nfs/dbraw/zinc/05/13/38/398051338.db2.gz GUXURQYCMSGXPD-SNVBAGLBSA-N 1 2 208.261 0.911 20 0 BCADLO CCC[C@]1([NH2+]Cc2nnn(C)n2)CCOC1 ZINC000309486848 398051823 /nfs/dbraw/zinc/05/18/23/398051823.db2.gz VRIFLIDGIIKNGD-JTQLQIEISA-N 1 2 225.296 0.259 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000050064792 398052732 /nfs/dbraw/zinc/05/27/32/398052732.db2.gz DFCCBPKJRGHMBV-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000050064792 398052733 /nfs/dbraw/zinc/05/27/33/398052733.db2.gz DFCCBPKJRGHMBV-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO C[C@@](O)(C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000292093624 398101180 /nfs/dbraw/zinc/10/11/80/398101180.db2.gz OBLOKLQLYAIZSV-LBPRGKRZSA-N 1 2 235.287 0.386 20 0 BCADLO Cc1nc(NC[C@@](C)(O)C2CC2)nc(N)[nH+]1 ZINC000309743158 398121839 /nfs/dbraw/zinc/12/18/39/398121839.db2.gz IHKGHOCLSUNQBF-SNVBAGLBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@@](C)(O)C2CC2)[nH+]1 ZINC000309743158 398121842 /nfs/dbraw/zinc/12/18/42/398121842.db2.gz IHKGHOCLSUNQBF-SNVBAGLBSA-N 1 2 223.280 0.335 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000093763409 398109366 /nfs/dbraw/zinc/10/93/66/398109366.db2.gz CSMQYZHDDZXCPP-LDYMZIIASA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000093763409 398109368 /nfs/dbraw/zinc/10/93/68/398109368.db2.gz CSMQYZHDDZXCPP-LDYMZIIASA-N 1 2 237.303 0.959 20 0 BCADLO Cc1nc(NC[C@](C)(O)C2CC2)nc(N)[nH+]1 ZINC000309743157 398121792 /nfs/dbraw/zinc/12/17/92/398121792.db2.gz IHKGHOCLSUNQBF-JTQLQIEISA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@](C)(O)C2CC2)[nH+]1 ZINC000309743157 398121793 /nfs/dbraw/zinc/12/17/93/398121793.db2.gz IHKGHOCLSUNQBF-JTQLQIEISA-N 1 2 223.280 0.335 20 0 BCADLO C[C@H](O)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214274 398130320 /nfs/dbraw/zinc/13/03/20/398130320.db2.gz WHCVCZQERNKRKG-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1cnccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295117591 398133230 /nfs/dbraw/zinc/13/32/30/398133230.db2.gz WYSHISHFVAATFN-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cnccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295117591 398133232 /nfs/dbraw/zinc/13/32/32/398133232.db2.gz WYSHISHFVAATFN-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000278850676 167061424 /nfs/dbraw/zinc/06/14/24/167061424.db2.gz DWHKZUNEJHPKEP-MRVPVSSYSA-N 1 2 210.281 0.585 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000674322617 487559991 /nfs/dbraw/zinc/55/99/91/487559991.db2.gz YWUNHGPOOIQFKL-SECBINFHSA-N 1 2 241.291 0.479 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000674322617 487559995 /nfs/dbraw/zinc/55/99/95/487559995.db2.gz YWUNHGPOOIQFKL-SECBINFHSA-N 1 2 241.291 0.479 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@H](O)C1 ZINC000227848165 487561550 /nfs/dbraw/zinc/56/15/50/487561550.db2.gz LNBVCGVLPMEFQI-YUMQZZPRSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@H](O)C1 ZINC000227848165 487561556 /nfs/dbraw/zinc/56/15/56/487561556.db2.gz LNBVCGVLPMEFQI-YUMQZZPRSA-N 1 2 238.291 0.640 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1[nH]cc[nH+]1 ZINC000140994870 487562037 /nfs/dbraw/zinc/56/20/37/487562037.db2.gz LXONUBVEUXWCHA-SFYZADRCSA-N 1 2 236.275 0.065 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000331154143 167154590 /nfs/dbraw/zinc/15/45/90/167154590.db2.gz OZZQIFQKJLLELD-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H](CO)C1 ZINC000331154143 167154593 /nfs/dbraw/zinc/15/45/93/167154593.db2.gz OZZQIFQKJLLELD-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)OCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000063757691 167188119 /nfs/dbraw/zinc/18/81/19/167188119.db2.gz UMZJOCFKMWWIEL-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)CC(=O)N1C ZINC000669718148 487574138 /nfs/dbraw/zinc/57/41/38/487574138.db2.gz UUJWYDFBKWEPEW-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CC(=O)N1C ZINC000669718148 487574142 /nfs/dbraw/zinc/57/41/42/487574142.db2.gz UUJWYDFBKWEPEW-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cocn1 ZINC000672155352 487576715 /nfs/dbraw/zinc/57/67/15/487576715.db2.gz WHTSKERKLBDHTJ-MRVPVSSYSA-N 1 2 232.243 0.616 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@H](c3ccco3)C2)nc1=O ZINC000680373594 487577853 /nfs/dbraw/zinc/57/78/53/487577853.db2.gz HIIPGZGZMZWENJ-VIFPVBQESA-N 1 2 248.286 0.691 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@H](c3ccco3)C2)nc1=O ZINC000680373594 487577857 /nfs/dbraw/zinc/57/78/57/487577857.db2.gz HIIPGZGZMZWENJ-VIFPVBQESA-N 1 2 248.286 0.691 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2cnn(C)c2)C1=O ZINC000670991416 487582256 /nfs/dbraw/zinc/58/22/56/487582256.db2.gz CJFFXFNKWPXUHV-PSASIEDQSA-N 1 2 238.291 0.233 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2cnn(C)c2)C1=O ZINC000670991417 487582221 /nfs/dbraw/zinc/58/22/21/487582221.db2.gz CJFFXFNKWPXUHV-SCZZXKLOSA-N 1 2 238.291 0.233 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000674470476 487586199 /nfs/dbraw/zinc/58/61/99/487586199.db2.gz PZTVAVPYCHGHSE-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccon1 ZINC000674470476 487586205 /nfs/dbraw/zinc/58/62/05/487586205.db2.gz PZTVAVPYCHGHSE-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@]1(C)CCOC1)CC2 ZINC000680400534 487587094 /nfs/dbraw/zinc/58/70/94/487587094.db2.gz XDMMJMCDHSDAIM-ZDUSSCGKSA-N 1 2 249.314 0.960 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](O)CC12CCC2 ZINC000564578694 322913246 /nfs/dbraw/zinc/91/32/46/322913246.db2.gz ZDKLYHBAHHPYQH-LLVKDONJSA-N 1 2 249.314 0.789 20 0 BCADLO Cc1nocc1C(=O)N1CC[NH+](C)CC1 ZINC000082303348 487590776 /nfs/dbraw/zinc/59/07/76/487590776.db2.gz FYYVECLHJJRGFH-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO Nc1cc(CN2CC[C@@H](O)C(F)(F)C2)cc[nH+]1 ZINC000661408180 487595860 /nfs/dbraw/zinc/59/58/60/487595860.db2.gz PSEBVEXPRFALPN-SECBINFHSA-N 1 2 243.257 0.866 20 0 BCADLO Cn1c[nH+]cc1Cn1nc2c(cc1=O)CCCC2 ZINC000674649494 487601795 /nfs/dbraw/zinc/60/17/95/487601795.db2.gz STMCTRWBKKJVSI-UHFFFAOYSA-N 1 2 244.298 0.904 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000374992069 167316601 /nfs/dbraw/zinc/31/66/01/167316601.db2.gz UYPHKIJDIAXMRL-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000374992069 167316603 /nfs/dbraw/zinc/31/66/03/167316603.db2.gz UYPHKIJDIAXMRL-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000653888010 487608925 /nfs/dbraw/zinc/60/89/25/487608925.db2.gz DRBDIXPNTHEDGI-SECBINFHSA-N 1 2 227.264 0.225 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000653888010 487608928 /nfs/dbraw/zinc/60/89/28/487608928.db2.gz DRBDIXPNTHEDGI-SECBINFHSA-N 1 2 227.264 0.225 20 0 BCADLO C[C@@H](O)C[N@H+](CC(F)F)CC1(C)COC1 ZINC000660738094 409684057 /nfs/dbraw/zinc/68/40/57/409684057.db2.gz OYXYLIWINKJDHB-MRVPVSSYSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1(C)COC1 ZINC000660738094 409684061 /nfs/dbraw/zinc/68/40/61/409684061.db2.gz OYXYLIWINKJDHB-MRVPVSSYSA-N 1 2 223.263 0.971 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1nnc(C)s1 ZINC000660767779 409727609 /nfs/dbraw/zinc/72/76/09/409727609.db2.gz WBDKNAHUEGRTKR-UHFFFAOYSA-N 1 2 242.348 0.851 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@](O)(CO)C2)s1 ZINC000660776982 409734901 /nfs/dbraw/zinc/73/49/01/409734901.db2.gz QVFGPAUJILXQMX-JTQLQIEISA-N 1 2 243.332 0.166 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@](O)(CO)C2)s1 ZINC000660776982 409734909 /nfs/dbraw/zinc/73/49/09/409734909.db2.gz QVFGPAUJILXQMX-JTQLQIEISA-N 1 2 243.332 0.166 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccn(C)n2)C1=O ZINC000660780669 409738849 /nfs/dbraw/zinc/73/88/49/409738849.db2.gz OIRUHDBNGJIYGU-WCBMZHEXSA-N 1 2 238.291 0.233 20 0 BCADLO Cn1ncnc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660788642 409749555 /nfs/dbraw/zinc/74/95/55/409749555.db2.gz WUDJKILGHGFDKO-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cn1ncnc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660788642 409749562 /nfs/dbraw/zinc/74/95/62/409749562.db2.gz WUDJKILGHGFDKO-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)O ZINC000584225058 409993367 /nfs/dbraw/zinc/99/33/67/409993367.db2.gz XUZVKIZKHHOUIV-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752455 487611848 /nfs/dbraw/zinc/61/18/48/487611848.db2.gz WCLDOXZVLNIDOD-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752455 487611854 /nfs/dbraw/zinc/61/18/54/487611854.db2.gz WCLDOXZVLNIDOD-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1(O)CCCCC1 ZINC000292772489 410051278 /nfs/dbraw/zinc/05/12/78/410051278.db2.gz SKCHKYQGFSXDMT-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@H](O)C1 ZINC000663241571 410086113 /nfs/dbraw/zinc/08/61/13/410086113.db2.gz HZCQYMDUIDTGHG-GUBZILKMSA-N 1 2 238.291 0.094 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1[nH]cc[nH+]1 ZINC000111194922 410218046 /nfs/dbraw/zinc/21/80/46/410218046.db2.gz JGFUKBUSOINTTG-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H](NC(=O)C1CC(=O)C1)c1[nH]cc[nH+]1 ZINC000655403471 410208962 /nfs/dbraw/zinc/20/89/62/410208962.db2.gz GYAPVAYTNQVAMX-ZCFIWIBFSA-N 1 2 207.233 0.566 20 0 BCADLO CO[C@H](C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000661303434 410469267 /nfs/dbraw/zinc/46/92/67/410469267.db2.gz LENRRMNSUQKQSC-SECBINFHSA-N 1 2 240.307 0.297 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@]2(O)C[C@H]2C1 ZINC000664421962 410583374 /nfs/dbraw/zinc/58/33/74/410583374.db2.gz RNUCLISLWALZAC-JOYOIKCWSA-N 1 2 235.287 0.755 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(CO)cc[nH+]1 ZINC000393303220 410675999 /nfs/dbraw/zinc/67/59/99/410675999.db2.gz JOSYNNXSUGAEJN-JTQLQIEISA-N 1 2 210.277 0.781 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)[C@@H]1CCO ZINC000661499641 410713001 /nfs/dbraw/zinc/71/30/01/410713001.db2.gz QPDNHWNYTIOTHK-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@@H]1CCO ZINC000661499641 410713005 /nfs/dbraw/zinc/71/30/05/410713005.db2.gz QPDNHWNYTIOTHK-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H](C)C1=O ZINC000661552639 410755175 /nfs/dbraw/zinc/75/51/75/410755175.db2.gz VZUIFAGXWQUPEL-NXEZZACHSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(c1cncc(O)c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000394318299 410785461 /nfs/dbraw/zinc/78/54/61/410785461.db2.gz BMIRAIKTGDHTNL-JTQLQIEISA-N 1 2 233.271 0.317 20 0 BCADLO C[C@@H](CC(=O)N1CCC[C@@H](O)C1)n1cc[nH+]c1 ZINC000651084104 410790333 /nfs/dbraw/zinc/79/03/33/410790333.db2.gz YTXVPFZIQWVLFZ-WDEREUQCSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651085164 410791744 /nfs/dbraw/zinc/79/17/44/410791744.db2.gz DPOXZLUTVJUYPX-SECBINFHSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000040864132 410895660 /nfs/dbraw/zinc/89/56/60/410895660.db2.gz MILPJRRIKUCMDW-SECBINFHSA-N 1 2 208.261 0.799 20 0 BCADLO CC(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105066389 167074977 /nfs/dbraw/zinc/07/49/77/167074977.db2.gz SJKMYPVJPBUBMP-WDEREUQCSA-N 1 2 243.351 0.803 20 0 BCADLO CO[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396907882 410902340 /nfs/dbraw/zinc/90/23/40/410902340.db2.gz LGDXENVFVXJPDC-SSDOTTSWSA-N 1 2 209.249 0.329 20 0 BCADLO CO[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396907882 410902343 /nfs/dbraw/zinc/90/23/43/410902343.db2.gz LGDXENVFVXJPDC-SSDOTTSWSA-N 1 2 209.249 0.329 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368331323 167153382 /nfs/dbraw/zinc/15/33/82/167153382.db2.gz NHNDXGDDAWHLGU-VHSXEESVSA-N 1 2 213.277 0.801 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368331323 167153385 /nfs/dbraw/zinc/15/33/85/167153385.db2.gz NHNDXGDDAWHLGU-VHSXEESVSA-N 1 2 213.277 0.801 20 0 BCADLO CC(C)OCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000068084538 167189511 /nfs/dbraw/zinc/18/95/11/167189511.db2.gz UMZJOCFKMWWIEL-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000104691663 167234770 /nfs/dbraw/zinc/23/47/70/167234770.db2.gz BINOPFYJIVIBDW-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OCC[N@H+]1CCNC(=O)[C@H]1C ZINC000104691663 167234774 /nfs/dbraw/zinc/23/47/74/167234774.db2.gz BINOPFYJIVIBDW-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758263 167269918 /nfs/dbraw/zinc/26/99/18/167269918.db2.gz INGCYFBEQUERIB-USBNGQNGSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758263 167269919 /nfs/dbraw/zinc/26/99/19/167269919.db2.gz INGCYFBEQUERIB-USBNGQNGSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)CO[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000042377868 410995778 /nfs/dbraw/zinc/99/57/78/410995778.db2.gz HHWNZWWQZFCGPA-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000651412844 410996534 /nfs/dbraw/zinc/99/65/34/410996534.db2.gz FHGCQSVCRCRJGP-SYDPRGILSA-N 1 2 241.682 0.388 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000651412844 410996538 /nfs/dbraw/zinc/99/65/38/410996538.db2.gz FHGCQSVCRCRJGP-SYDPRGILSA-N 1 2 241.682 0.388 20 0 BCADLO O[C@]1(CCNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000651413730 410996643 /nfs/dbraw/zinc/99/66/43/410996643.db2.gz KOPJITIVINWXRZ-CYBMUJFWSA-N 1 2 249.314 0.729 20 0 BCADLO C[C@H](CCO)N(C)c1[nH+]cnc2c1cnn2C ZINC000651471518 411052500 /nfs/dbraw/zinc/05/25/00/411052500.db2.gz WXHWRHHITIXIAW-MRVPVSSYSA-N 1 2 235.291 0.570 20 0 BCADLO Cn1cnc(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000661611963 411053999 /nfs/dbraw/zinc/05/39/99/411053999.db2.gz NBJQICKXJNZLFL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO Cn1cnc(C[N@@H+](C)C[C@@H]2COCCO2)c1 ZINC000661611963 411054005 /nfs/dbraw/zinc/05/40/05/411054005.db2.gz NBJQICKXJNZLFL-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO C[C@@H](CC(=O)NCC1(CO)CC1)n1cc[nH+]c1 ZINC000651499094 411073836 /nfs/dbraw/zinc/07/38/36/411073836.db2.gz DVFSVZQFTCWRSQ-JTQLQIEISA-N 1 2 237.303 0.723 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](O)C1 ZINC000651429594 411018913 /nfs/dbraw/zinc/01/89/13/411018913.db2.gz JFCZEIICFMZIII-NSHDSACASA-N 1 2 249.314 0.355 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)CC[C@H]2C)n1C ZINC000399205197 411024676 /nfs/dbraw/zinc/02/46/76/411024676.db2.gz DKXZYKFWLIGAQI-PSASIEDQSA-N 1 2 224.308 0.469 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC[C@H]2C)n1C ZINC000399205197 411024683 /nfs/dbraw/zinc/02/46/83/411024683.db2.gz DKXZYKFWLIGAQI-PSASIEDQSA-N 1 2 224.308 0.469 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1c1[nH+]cnc2c1cnn2C ZINC000399265051 411028562 /nfs/dbraw/zinc/02/85/62/411028562.db2.gz RDTYSNUHQDERFO-RKDXNWHRSA-N 1 2 247.302 0.713 20 0 BCADLO OC[C@@H](CCF)Nc1cc[nH+]c(C2CC2)n1 ZINC000651461721 411044425 /nfs/dbraw/zinc/04/44/25/411044425.db2.gz GPSYCBWWQDTJMR-SECBINFHSA-N 1 2 225.267 0.908 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2C[C@H]2C)[nH+]1 ZINC000336753795 411151257 /nfs/dbraw/zinc/15/12/57/411151257.db2.gz WRWDOJJHTRJYAL-APPZFPTMSA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000336753795 411151260 /nfs/dbraw/zinc/15/12/60/411151260.db2.gz WRWDOJJHTRJYAL-APPZFPTMSA-N 1 2 221.308 1.314 20 0 BCADLO CCn1c[nH+]cc1CNc1ccc(OC)nn1 ZINC000416428988 411152814 /nfs/dbraw/zinc/15/28/14/411152814.db2.gz UBUTYWIEIFXUCW-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)C[C@H]2C)on1 ZINC000653637498 411153232 /nfs/dbraw/zinc/15/32/32/411153232.db2.gz KWOAJWOTHZAAEJ-VXNVDRBHSA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)on1 ZINC000653637498 411153236 /nfs/dbraw/zinc/15/32/36/411153236.db2.gz KWOAJWOTHZAAEJ-VXNVDRBHSA-N 1 2 224.260 0.832 20 0 BCADLO O[C@@]1(CC[NH2+]Cc2ccn[nH]2)CCCOC1 ZINC000652040102 411087136 /nfs/dbraw/zinc/08/71/36/411087136.db2.gz WWRISKJWLZTAMO-LLVKDONJSA-N 1 2 225.292 0.431 20 0 BCADLO COC[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000518562756 411125486 /nfs/dbraw/zinc/12/54/86/411125486.db2.gz NVSULUCYCPYFQD-NSHDSACASA-N 1 2 225.292 0.903 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCOC[C@H]2CO)n1 ZINC000402883993 411176859 /nfs/dbraw/zinc/17/68/59/411176859.db2.gz AQSJHAYUPUSZLX-GFCCVEGCSA-N 1 2 237.303 0.021 20 0 BCADLO Cc1cncc(CC[N@H+]2CCOC[C@H]2CO)n1 ZINC000402883993 411176863 /nfs/dbraw/zinc/17/68/63/411176863.db2.gz AQSJHAYUPUSZLX-GFCCVEGCSA-N 1 2 237.303 0.021 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C1COCCOC1 ZINC000309599306 411179348 /nfs/dbraw/zinc/17/93/48/411179348.db2.gz XESHXCBFKVYZAU-MRVPVSSYSA-N 1 2 225.292 0.784 20 0 BCADLO c1nnn2c1C[N@H+]([C@@H]1CCCOC1)CC2 ZINC000653793559 411179501 /nfs/dbraw/zinc/17/95/01/411179501.db2.gz LDDPAUVMYCFSHS-SECBINFHSA-N 1 2 208.265 0.273 20 0 BCADLO c1nnn2c1C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC000653793559 411179503 /nfs/dbraw/zinc/17/95/03/411179503.db2.gz LDDPAUVMYCFSHS-SECBINFHSA-N 1 2 208.265 0.273 20 0 BCADLO COCCN(C)c1nc[nH+]c(C)c1OC ZINC000656110580 411180485 /nfs/dbraw/zinc/18/04/85/411180485.db2.gz GJDZEACHNUTPRN-UHFFFAOYSA-N 1 2 211.265 0.876 20 0 BCADLO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC(=O)N1C ZINC000660483373 411243274 /nfs/dbraw/zinc/24/32/74/411243274.db2.gz OTIMTUORABSGBW-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC(=O)N1C ZINC000660483373 411243276 /nfs/dbraw/zinc/24/32/76/411243276.db2.gz OTIMTUORABSGBW-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](C)CCO ZINC000656127646 411183261 /nfs/dbraw/zinc/18/32/61/411183261.db2.gz SHNJGRZZUUUTPX-SSDOTTSWSA-N 1 2 211.265 0.976 20 0 BCADLO CC[C@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155202 411189595 /nfs/dbraw/zinc/18/95/95/411189595.db2.gz MDKXRDAJFIHDRT-QMMMGPOBSA-N 1 2 227.312 0.289 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC(CO)C1 ZINC000656157698 411190744 /nfs/dbraw/zinc/19/07/44/411190744.db2.gz RBPZVXUVWXGYQZ-UHFFFAOYSA-N 1 2 209.249 0.222 20 0 BCADLO Cn1c[nH+]c(CCNc2cc(=O)n(C)cn2)c1 ZINC000656199066 411201809 /nfs/dbraw/zinc/20/18/09/411201809.db2.gz HYRZRFMIXBSWJJ-UHFFFAOYSA-N 1 2 233.275 0.168 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000655762294 411203818 /nfs/dbraw/zinc/20/38/18/411203818.db2.gz VZOJZKDIWKPCKC-YUMQZZPRSA-N 1 2 227.337 0.584 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@](C)(O)C1 ZINC000656201645 411206206 /nfs/dbraw/zinc/20/62/06/411206206.db2.gz NWSQOLULXQOCRJ-XGAOUMNUSA-N 1 2 224.264 0.393 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@](C)(O)C1 ZINC000656201645 411206208 /nfs/dbraw/zinc/20/62/08/411206208.db2.gz NWSQOLULXQOCRJ-XGAOUMNUSA-N 1 2 224.264 0.393 20 0 BCADLO Cc1cc(N2CCn3nncc3C2)nc[nH+]1 ZINC000656208479 411209474 /nfs/dbraw/zinc/20/94/74/411209474.db2.gz UHFADXKBFZMVPG-UHFFFAOYSA-N 1 2 216.248 0.397 20 0 BCADLO Cc1nccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000048780866 411212908 /nfs/dbraw/zinc/21/29/08/411212908.db2.gz PILDVCWIRZGHJO-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cnns1)C1CC1 ZINC000653902638 411217013 /nfs/dbraw/zinc/21/70/13/411217013.db2.gz YETGTCYKKGEACP-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cnns1)C1CC1 ZINC000653902638 411217014 /nfs/dbraw/zinc/21/70/14/411217014.db2.gz YETGTCYKKGEACP-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653904034 411218926 /nfs/dbraw/zinc/21/89/26/411218926.db2.gz NOUBEEXSJPOYIG-SSDOTTSWSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653904034 411218927 /nfs/dbraw/zinc/21/89/27/411218927.db2.gz NOUBEEXSJPOYIG-SSDOTTSWSA-N 1 2 210.281 0.458 20 0 BCADLO Cn1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492860976 411220049 /nfs/dbraw/zinc/22/00/49/411220049.db2.gz IXOIOQNCOPWPDT-IHWYPQMZSA-N 1 2 217.232 0.795 20 0 BCADLO CO[C@@](C)(CO)C[NH2+]Cc1csnn1 ZINC000656268048 411222303 /nfs/dbraw/zinc/22/23/03/411222303.db2.gz VKBAEHPIUSBYPE-MRVPVSSYSA-N 1 2 217.294 0.025 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655683213 411224137 /nfs/dbraw/zinc/22/41/37/411224137.db2.gz PUIBZZYMRDWCJB-JTQLQIEISA-N 1 2 236.319 0.832 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000226202973 411226255 /nfs/dbraw/zinc/22/62/55/411226255.db2.gz SRSQFBUBPABCBT-GFCCVEGCSA-N 1 2 236.319 0.571 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000226202973 411226257 /nfs/dbraw/zinc/22/62/57/411226257.db2.gz SRSQFBUBPABCBT-GFCCVEGCSA-N 1 2 236.319 0.571 20 0 BCADLO C[C@H](NS(=O)(=O)N1CCC1)c1[nH+]ccn1C ZINC000660101101 411230978 /nfs/dbraw/zinc/23/09/78/411230978.db2.gz PAILTHKUZPZUNQ-QMMMGPOBSA-N 1 2 244.320 0.021 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422790566 411231280 /nfs/dbraw/zinc/23/12/80/411231280.db2.gz PJDSMBFZMYBKAW-SFYZADRCSA-N 1 2 235.243 0.411 20 0 BCADLO C[C@H](O)[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660118424 411237681 /nfs/dbraw/zinc/23/76/81/411237681.db2.gz UVHQRZKSJMEASJ-VHSXEESVSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@H](O)[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660118424 411237685 /nfs/dbraw/zinc/23/76/85/411237685.db2.gz UVHQRZKSJMEASJ-VHSXEESVSA-N 1 2 224.308 0.440 20 0 BCADLO Cn1cnc(C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000660002652 411166927 /nfs/dbraw/zinc/16/69/27/411166927.db2.gz JYRFIHVWEFQZIN-NSHDSACASA-N 1 2 241.360 0.720 20 0 BCADLO Cn1cnc(C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000660002652 411166929 /nfs/dbraw/zinc/16/69/29/411166929.db2.gz JYRFIHVWEFQZIN-NSHDSACASA-N 1 2 241.360 0.720 20 0 BCADLO FCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656454382 411261592 /nfs/dbraw/zinc/26/15/92/411261592.db2.gz AVNOZZCLJSKNAW-UHFFFAOYSA-N 1 2 230.312 0.796 20 0 BCADLO CC(C)CCn1cc(C[N@H+](C)CCO)nn1 ZINC000656442758 411262325 /nfs/dbraw/zinc/26/23/25/411262325.db2.gz XGWPQZZTOOBCDQ-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CC(C)CCn1cc(C[N@@H+](C)CCO)nn1 ZINC000656442758 411262329 /nfs/dbraw/zinc/26/23/29/411262329.db2.gz XGWPQZZTOOBCDQ-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO FCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656454903 411263476 /nfs/dbraw/zinc/26/34/76/411263476.db2.gz QMGHGRUUMSIREV-UHFFFAOYSA-N 1 2 228.271 0.122 20 0 BCADLO COCC[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000656455858 411264269 /nfs/dbraw/zinc/26/42/69/411264269.db2.gz PQXOPSLMSGWSDE-UHFFFAOYSA-N 1 2 210.281 0.691 20 0 BCADLO COCC[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000656455858 411264272 /nfs/dbraw/zinc/26/42/72/411264272.db2.gz PQXOPSLMSGWSDE-UHFFFAOYSA-N 1 2 210.281 0.691 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(N)nc1 ZINC000050816488 411266923 /nfs/dbraw/zinc/26/69/23/411266923.db2.gz ZQMDVBZWBXZLAS-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(N)nc1 ZINC000050816488 411266926 /nfs/dbraw/zinc/26/69/26/411266926.db2.gz ZQMDVBZWBXZLAS-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CCC(=O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459234 411269664 /nfs/dbraw/zinc/26/96/64/411269664.db2.gz REHIUBZTLOCXQW-UHFFFAOYSA-N 1 2 232.243 0.747 20 0 BCADLO C[C@@]1(CCCO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660159550 411270115 /nfs/dbraw/zinc/27/01/15/411270115.db2.gz CFYXQGCTDWAHLM-LBPRGKRZSA-N 1 2 238.335 0.974 20 0 BCADLO C[C@@]1(CCCO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660159550 411270118 /nfs/dbraw/zinc/27/01/18/411270118.db2.gz CFYXQGCTDWAHLM-LBPRGKRZSA-N 1 2 238.335 0.974 20 0 BCADLO c1c(CC[NH+]2CCOCC2)nnn1CC1CC1 ZINC000656464906 411271524 /nfs/dbraw/zinc/27/15/24/411271524.db2.gz VGXGFDYDZHFOQF-UHFFFAOYSA-N 1 2 236.319 0.563 20 0 BCADLO Cn1c[nH+]c(CCNc2cnccn2)c1 ZINC000313473593 411272354 /nfs/dbraw/zinc/27/23/54/411272354.db2.gz UXBWFIBSFHJNDT-UHFFFAOYSA-N 1 2 203.249 0.865 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000658159047 411272542 /nfs/dbraw/zinc/27/25/42/411272542.db2.gz MUUOJSBYKXZMBN-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCO2)[nH]1 ZINC000658159047 411272545 /nfs/dbraw/zinc/27/25/45/411272545.db2.gz MUUOJSBYKXZMBN-IUCAKERBSA-N 1 2 240.307 0.608 20 0 BCADLO Cc1nc(NC[C@@]2(C)CC2(F)F)nc(N)[nH+]1 ZINC000631370513 411274186 /nfs/dbraw/zinc/27/41/86/411274186.db2.gz NNEDJWFFFZZOIH-MRVPVSSYSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NC[C@@]2(C)CC2(F)F)[nH+]1 ZINC000631370513 411274190 /nfs/dbraw/zinc/27/41/90/411274190.db2.gz NNEDJWFFFZZOIH-MRVPVSSYSA-N 1 2 229.234 0.641 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000660165948 411274527 /nfs/dbraw/zinc/27/45/27/411274527.db2.gz NQAMJHXFOSBNRR-XHNCKOQMSA-N 1 2 224.308 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000660165948 411274529 /nfs/dbraw/zinc/27/45/29/411274529.db2.gz NQAMJHXFOSBNRR-XHNCKOQMSA-N 1 2 224.308 0.741 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)N=c1cccn[nH]1 ZINC000652678315 411328056 /nfs/dbraw/zinc/32/80/56/411328056.db2.gz IEXYKXKXGRLXFA-SNVBAGLBSA-N 1 2 249.318 0.456 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N=c1cccn[nH]1 ZINC000652678315 411328059 /nfs/dbraw/zinc/32/80/59/411328059.db2.gz IEXYKXKXGRLXFA-SNVBAGLBSA-N 1 2 249.318 0.456 20 0 BCADLO Cc1nc(N[C@H](C)Cc2ccccn2)nc(N)[nH+]1 ZINC000631348601 411278081 /nfs/dbraw/zinc/27/80/81/411278081.db2.gz ZPPWVZMLQYWDNC-MRVPVSSYSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)Cc2ccccn2)[nH+]1 ZINC000631348601 411278085 /nfs/dbraw/zinc/27/80/85/411278085.db2.gz ZPPWVZMLQYWDNC-MRVPVSSYSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(N2CCS[C@@H](C)CC2)nc(N)[nH+]1 ZINC000380348975 411283205 /nfs/dbraw/zinc/28/32/05/411283205.db2.gz XAVLAONVXQRPAY-ZETCQYMHSA-N 1 2 239.348 1.094 20 0 BCADLO Cc1nc(N)nc(N2CCS[C@@H](C)CC2)[nH+]1 ZINC000380348975 411283207 /nfs/dbraw/zinc/28/32/07/411283207.db2.gz XAVLAONVXQRPAY-ZETCQYMHSA-N 1 2 239.348 1.094 20 0 BCADLO Cc1nc(N2CCC[C@H](CCO)C2)nc(N)[nH+]1 ZINC000631105609 411284065 /nfs/dbraw/zinc/28/40/65/411284065.db2.gz JDUHTZRDFKCQIG-SECBINFHSA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H](CCO)C2)[nH+]1 ZINC000631105609 411284069 /nfs/dbraw/zinc/28/40/69/411284069.db2.gz JDUHTZRDFKCQIG-SECBINFHSA-N 1 2 237.307 0.361 20 0 BCADLO CCn1cc[nH+]c1CN1CC(OCCOC)C1 ZINC000656520112 411290002 /nfs/dbraw/zinc/29/00/02/411290002.db2.gz KKBBOZRWXVEYIA-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO COCCOC1C[NH+](CC2(F)CC2)C1 ZINC000656520101 411290114 /nfs/dbraw/zinc/29/01/14/411290114.db2.gz HWFGFYNVCMTUTH-UHFFFAOYSA-N 1 2 203.257 0.836 20 0 BCADLO CCN1CC[C@H](N2CCn3cc(C)[nH+]c3C2)C1=O ZINC000660237621 411302720 /nfs/dbraw/zinc/30/27/20/411302720.db2.gz ABXVEMILVMWQNV-NSHDSACASA-N 1 2 248.330 0.628 20 0 BCADLO C[NH+](C)[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000062985298 411330546 /nfs/dbraw/zinc/33/05/46/411330546.db2.gz VKDATVLUNJAIDD-SNVBAGLBSA-N 1 2 235.287 0.920 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)C2)n1C1CC1 ZINC000303261617 411307399 /nfs/dbraw/zinc/30/73/99/411307399.db2.gz OOSMBUPBGLCKGA-NSHDSACASA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](O)C2)n1C1CC1 ZINC000303261617 411307402 /nfs/dbraw/zinc/30/74/02/411307402.db2.gz OOSMBUPBGLCKGA-NSHDSACASA-N 1 2 236.319 0.878 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CC[C@](F)(CO)C2)C1=O ZINC000660488347 411320247 /nfs/dbraw/zinc/32/02/47/411320247.db2.gz GGWARQYESWZLDL-MWLCHTKSSA-N 1 2 230.283 0.014 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CC[C@](F)(CO)C2)C1=O ZINC000660488347 411320251 /nfs/dbraw/zinc/32/02/51/411320251.db2.gz GGWARQYESWZLDL-MWLCHTKSSA-N 1 2 230.283 0.014 20 0 BCADLO CC(C)(C(=O)N[C@H](CO)CCF)c1c[nH]c[nH+]1 ZINC000652911226 411326206 /nfs/dbraw/zinc/32/62/06/411326206.db2.gz GSVSGTUOADMOOI-QMMMGPOBSA-N 1 2 243.282 0.524 20 0 BCADLO CCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656443269 411250735 /nfs/dbraw/zinc/25/07/35/411250735.db2.gz ZJKJMAPOIVVKKM-SNVBAGLBSA-N 1 2 210.281 0.739 20 0 BCADLO CO[C@H]1C[C@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2)C1 ZINC000652477283 411251567 /nfs/dbraw/zinc/25/15/67/411251567.db2.gz NUKSMCZUSPEBNL-VHSXEESVSA-N 1 2 239.275 0.057 20 0 BCADLO CO[C@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2)C1 ZINC000652477283 411251569 /nfs/dbraw/zinc/25/15/69/411251569.db2.gz NUKSMCZUSPEBNL-VHSXEESVSA-N 1 2 239.275 0.057 20 0 BCADLO CO[C@@H]1C[C@@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2)C1 ZINC000652477284 411251766 /nfs/dbraw/zinc/25/17/66/411251766.db2.gz NUKSMCZUSPEBNL-ZJUUUORDSA-N 1 2 239.275 0.057 20 0 BCADLO CO[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2)C1 ZINC000652477284 411251768 /nfs/dbraw/zinc/25/17/68/411251768.db2.gz NUKSMCZUSPEBNL-ZJUUUORDSA-N 1 2 239.275 0.057 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C(C)(C)[NH3+] ZINC000050183128 411253604 /nfs/dbraw/zinc/25/36/04/411253604.db2.gz OKROCOQFDASQFP-UHFFFAOYSA-N 1 2 224.308 0.504 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000656446229 411254467 /nfs/dbraw/zinc/25/44/67/411254467.db2.gz OVYUOYMKIUGNQN-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000656446229 411254471 /nfs/dbraw/zinc/25/44/71/411254471.db2.gz OVYUOYMKIUGNQN-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H]1COCCO1 ZINC000660141390 411255825 /nfs/dbraw/zinc/25/58/25/411255825.db2.gz FIKCNPDYRIXQCJ-VIFPVBQESA-N 1 2 211.265 0.257 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1COCCO1 ZINC000660141390 411255827 /nfs/dbraw/zinc/25/58/27/411255827.db2.gz FIKCNPDYRIXQCJ-VIFPVBQESA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1COCCO1 ZINC000660141390 411255830 /nfs/dbraw/zinc/25/58/30/411255830.db2.gz FIKCNPDYRIXQCJ-VIFPVBQESA-N 1 2 211.265 0.257 20 0 BCADLO Oc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000656440422 411259254 /nfs/dbraw/zinc/25/92/54/411259254.db2.gz HBUYYRMLVNENMG-LBPRGKRZSA-N 1 2 246.270 0.634 20 0 BCADLO Cn1c[nH+]cc1CNc1nc(C(N)=O)cs1 ZINC000309827315 411261206 /nfs/dbraw/zinc/26/12/06/411261206.db2.gz IKLIAWJUOYHYJO-UHFFFAOYSA-N 1 2 237.288 0.588 20 0 BCADLO CCN1OC[C@@H]([N@H+](CC)C[C@@H]2CCCO2)C1=O ZINC000659864352 411353487 /nfs/dbraw/zinc/35/34/87/411353487.db2.gz ZLOLHJDTWLVKOA-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@@H]([N@@H+](CC)C[C@@H]2CCCO2)C1=O ZINC000659864352 411353490 /nfs/dbraw/zinc/35/34/90/411353490.db2.gz ZLOLHJDTWLVKOA-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO O=C1N(CCn2cc[nH+]c2)C(=O)C23CC(C2)CN13 ZINC000656793032 411371651 /nfs/dbraw/zinc/37/16/51/411371651.db2.gz BBIQEQPPHJXKEO-UHFFFAOYSA-N 1 2 246.270 0.310 20 0 BCADLO C[C@H](c1nccc(N)n1)N1CCn2c[nH+]cc2C1 ZINC000660583898 411337967 /nfs/dbraw/zinc/33/79/67/411337967.db2.gz OAVFNCFKTAUCDX-SECBINFHSA-N 1 2 244.302 0.832 20 0 BCADLO CNC(=O)NC1C[NH+](Cc2ccc(O)cc2)C1 ZINC000656715123 411337973 /nfs/dbraw/zinc/33/79/73/411337973.db2.gz KVAAHXPNSCHZJP-UHFFFAOYSA-N 1 2 235.287 0.505 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000309346301 168006010 /nfs/dbraw/zinc/00/60/10/168006010.db2.gz MHAPJMFVTZTCPH-SECBINFHSA-N 1 2 223.276 0.255 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000129632894 168007889 /nfs/dbraw/zinc/00/78/89/168007889.db2.gz CHVGGSYEFCRCMC-NXEZZACHSA-N 1 2 237.303 0.549 20 0 BCADLO CC1=CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000336378586 168107890 /nfs/dbraw/zinc/10/78/90/168107890.db2.gz LEHMRLORDZOFKW-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CC1CC(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000288431336 168138889 /nfs/dbraw/zinc/13/88/89/168138889.db2.gz RURLALHIFHRPDD-GDRRJGKNSA-N 1 2 248.286 0.671 20 0 BCADLO CC1CC(N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000288431336 168138890 /nfs/dbraw/zinc/13/88/90/168138890.db2.gz RURLALHIFHRPDD-GDRRJGKNSA-N 1 2 248.286 0.671 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCn1cc[nH+]c1 ZINC000652962529 411375427 /nfs/dbraw/zinc/37/54/27/411375427.db2.gz NYGDRKRTKIZEFX-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO CCO[C@H]1CCC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000659943421 411388308 /nfs/dbraw/zinc/38/83/08/411388308.db2.gz UJRZNBBKRLPCEJ-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CCO[C@H]1CCC[N@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000659943421 411388311 /nfs/dbraw/zinc/38/83/11/411388311.db2.gz UJRZNBBKRLPCEJ-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000338193806 168190059 /nfs/dbraw/zinc/19/00/59/168190059.db2.gz YSEFVJGHCQJDJZ-JTQLQIEISA-N 1 2 219.288 0.924 20 0 BCADLO O[C@@]1(CC[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000404207875 411382962 /nfs/dbraw/zinc/38/29/62/411382962.db2.gz OCEDJMJTLLKAMD-JTQLQIEISA-N 1 2 211.265 0.041 20 0 BCADLO CCC(=O)N[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000109835352 168239876 /nfs/dbraw/zinc/23/98/76/168239876.db2.gz RHTWKOOQGPEDOT-JTQLQIEISA-N 1 2 236.319 0.900 20 0 BCADLO CCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000011638268 168240628 /nfs/dbraw/zinc/24/06/28/168240628.db2.gz AYRCLQXPAPBROF-MRVPVSSYSA-N 1 2 225.248 0.020 20 0 BCADLO CCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000011638268 168240629 /nfs/dbraw/zinc/24/06/29/168240629.db2.gz AYRCLQXPAPBROF-MRVPVSSYSA-N 1 2 225.248 0.020 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000050183090 411383612 /nfs/dbraw/zinc/38/36/12/411383612.db2.gz BXIOLJRNSDFREZ-NSHDSACASA-N 1 2 238.335 0.750 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccncc1 ZINC000656941406 411387815 /nfs/dbraw/zinc/38/78/15/411387815.db2.gz INSDOHDKCSXPEZ-UHFFFAOYSA-N 1 2 241.316 0.066 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)O ZINC000654850728 411455207 /nfs/dbraw/zinc/45/52/07/411455207.db2.gz LXKGYJAHNQVFLL-SECBINFHSA-N 1 2 228.336 0.604 20 0 BCADLO O=C([C@@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000065164123 411460666 /nfs/dbraw/zinc/46/06/66/411460666.db2.gz POBYFHPTQSFZOA-JTQLQIEISA-N 1 2 221.260 0.473 20 0 BCADLO O=C([C@@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000065164123 411460668 /nfs/dbraw/zinc/46/06/68/411460668.db2.gz POBYFHPTQSFZOA-JTQLQIEISA-N 1 2 221.260 0.473 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000660304127 411396243 /nfs/dbraw/zinc/39/62/43/411396243.db2.gz BTKDTKVYPVRRPH-GFCCVEGCSA-N 1 2 249.314 0.600 20 0 BCADLO Cc1nnc(CNC(=O)C[NH+]2CC(C)(C)C2)o1 ZINC000654541089 411410087 /nfs/dbraw/zinc/41/00/87/411410087.db2.gz YVUWSPQDNPZVRG-UHFFFAOYSA-N 1 2 238.291 0.336 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCOCC1CC1 ZINC000264497098 411414025 /nfs/dbraw/zinc/41/40/25/411414025.db2.gz UUOMMOZJYOUNFH-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO COc1ccc(C(=O)NCCn2cc[nH+]c2)o1 ZINC000653507045 411415060 /nfs/dbraw/zinc/41/50/60/411415060.db2.gz WGFPXGQNLSZDNJ-UHFFFAOYSA-N 1 2 235.243 0.915 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654908992 411462180 /nfs/dbraw/zinc/46/21/80/411462180.db2.gz QSAYDRQVXSSFSC-RKDXNWHRSA-N 1 2 225.292 0.333 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654908992 411462182 /nfs/dbraw/zinc/46/21/82/411462182.db2.gz QSAYDRQVXSSFSC-RKDXNWHRSA-N 1 2 225.292 0.333 20 0 BCADLO Cc1cnc(NCCC[N@@H+]2CCNC(=O)C2)nc1 ZINC000271448143 411430719 /nfs/dbraw/zinc/43/07/19/411430719.db2.gz PFNWLVYCCVHEPQ-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1cnc(NCCC[N@H+]2CCNC(=O)C2)nc1 ZINC000271448143 411430721 /nfs/dbraw/zinc/43/07/21/411430721.db2.gz PFNWLVYCCVHEPQ-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO CCc1cc(NCCN2CCCC2=O)nc[nH+]1 ZINC000405475060 411431206 /nfs/dbraw/zinc/43/12/06/411431206.db2.gz HDLJYBQPMKRUNH-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c[nH]ccc1=O ZINC000654699698 411432267 /nfs/dbraw/zinc/43/22/67/411432267.db2.gz OAQQWPWOVJDNHU-QMMMGPOBSA-N 1 2 246.270 0.915 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c[nH]ccc1=O ZINC000654699698 411432270 /nfs/dbraw/zinc/43/22/70/411432270.db2.gz OAQQWPWOVJDNHU-QMMMGPOBSA-N 1 2 246.270 0.915 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCN(CC)C1=O ZINC000659821268 411463341 /nfs/dbraw/zinc/46/33/41/411463341.db2.gz MJRKPRVOUQQPDL-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCN(CC)C1=O ZINC000659821268 411463343 /nfs/dbraw/zinc/46/33/43/411463343.db2.gz MJRKPRVOUQQPDL-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCOC1 ZINC000654757010 411440291 /nfs/dbraw/zinc/44/02/91/411440291.db2.gz RIDVQYDIXZUONV-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCOC1 ZINC000654757010 411440295 /nfs/dbraw/zinc/44/02/95/411440295.db2.gz RIDVQYDIXZUONV-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCc1c[nH+]c[nH]1 ZINC000654819580 411451191 /nfs/dbraw/zinc/45/11/91/411451191.db2.gz RPSCCHQYGGHKPB-JTQLQIEISA-N 1 2 211.265 0.435 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCc1c[nH]c[nH+]1 ZINC000654819580 411451192 /nfs/dbraw/zinc/45/11/92/411451192.db2.gz RPSCCHQYGGHKPB-JTQLQIEISA-N 1 2 211.265 0.435 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000653632907 411451789 /nfs/dbraw/zinc/45/17/89/411451789.db2.gz HKCCQRDTMRLBHR-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000653632907 411451793 /nfs/dbraw/zinc/45/17/93/411451793.db2.gz HKCCQRDTMRLBHR-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO CCc1nc([C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000659832510 411468332 /nfs/dbraw/zinc/46/83/32/411468332.db2.gz UGYSWZIPARWWTE-SECBINFHSA-N 1 2 223.324 0.676 20 0 BCADLO CC(C)OCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654998090 411472947 /nfs/dbraw/zinc/47/29/47/411472947.db2.gz AZNJFGTYWOCSAV-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CCN1OC[C@H]([N@H+](CC)CCOC)C1=O ZINC000659851934 411477473 /nfs/dbraw/zinc/47/74/73/411477473.db2.gz GKVYJBYQVNLGEO-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CCN1OC[C@H]([N@@H+](CC)CCOC)C1=O ZINC000659851934 411477475 /nfs/dbraw/zinc/47/74/75/411477475.db2.gz GKVYJBYQVNLGEO-VIFPVBQESA-N 1 2 216.281 0.117 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C(C)(C)CO)n1 ZINC000657355904 411478489 /nfs/dbraw/zinc/47/84/89/411478489.db2.gz DLDXOGGWOLJFAD-UHFFFAOYSA-N 1 2 227.312 0.289 20 0 BCADLO CC[N@H+](Cc1noc(COC)n1)[C@H](C)CO ZINC000339633139 169938779 /nfs/dbraw/zinc/93/87/79/169938779.db2.gz LAZIWCOVKGHHMZ-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@@H+](Cc1noc(COC)n1)[C@H](C)CO ZINC000339633139 169938780 /nfs/dbraw/zinc/93/87/80/169938780.db2.gz LAZIWCOVKGHHMZ-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC000307651389 411483252 /nfs/dbraw/zinc/48/32/52/411483252.db2.gz LUICKZFJKZQALI-BDAKNGLRSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC000307651389 411483255 /nfs/dbraw/zinc/48/32/55/411483255.db2.gz LUICKZFJKZQALI-BDAKNGLRSA-N 1 2 210.277 0.176 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C(C)(C)CCO)n1 ZINC000657375757 411483984 /nfs/dbraw/zinc/48/39/84/411483984.db2.gz CZHWQAYOFCFSLP-UHFFFAOYSA-N 1 2 241.339 0.679 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2nccs2)C1 ZINC000655051656 411485395 /nfs/dbraw/zinc/48/53/95/411485395.db2.gz VGYIVISPNVFMCK-UHFFFAOYSA-N 1 2 225.317 0.966 20 0 BCADLO CC[C@H](O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657398622 411494636 /nfs/dbraw/zinc/49/46/36/411494636.db2.gz OAICSVQAEQIBFC-VIFPVBQESA-N 1 2 241.339 0.679 20 0 BCADLO Cc1c[nH]c(CN[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000657402834 411496255 /nfs/dbraw/zinc/49/62/55/411496255.db2.gz JUAKSKLUULIYBI-WDEREUQCSA-N 1 2 238.335 0.527 20 0 BCADLO Cc1c[nH]c(CN[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000657402834 411496257 /nfs/dbraw/zinc/49/62/57/411496257.db2.gz JUAKSKLUULIYBI-WDEREUQCSA-N 1 2 238.335 0.527 20 0 BCADLO Cn1cnc(C[N@H+](C)CCn2cccn2)c1 ZINC000659919685 411498137 /nfs/dbraw/zinc/49/81/37/411498137.db2.gz SDGHYVXYBAFVPO-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO Cn1cnc(C[N@@H+](C)CCn2cccn2)c1 ZINC000659919685 411498138 /nfs/dbraw/zinc/49/81/38/411498138.db2.gz SDGHYVXYBAFVPO-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO COCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659923651 411498853 /nfs/dbraw/zinc/49/88/53/411498853.db2.gz ZUONAUYMDFSBLL-UHFFFAOYSA-N 1 2 224.308 0.706 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]1O ZINC000655141409 411503407 /nfs/dbraw/zinc/50/34/07/411503407.db2.gz TVZDODCRKNCTQZ-JMJZKYOTSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]1O ZINC000655141409 411503409 /nfs/dbraw/zinc/50/34/09/411503409.db2.gz TVZDODCRKNCTQZ-JMJZKYOTSA-N 1 2 237.303 0.618 20 0 BCADLO CCO[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659943407 411505905 /nfs/dbraw/zinc/50/59/05/411505905.db2.gz UFSTVQIDPRTVEB-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CCO[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659943407 411505908 /nfs/dbraw/zinc/50/59/08/411505908.db2.gz UFSTVQIDPRTVEB-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000659943443 411506171 /nfs/dbraw/zinc/50/61/71/411506171.db2.gz VAQGOXSVPUQQPT-BDAKNGLRSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659943443 411506173 /nfs/dbraw/zinc/50/61/73/411506173.db2.gz VAQGOXSVPUQQPT-BDAKNGLRSA-N 1 2 248.273 0.621 20 0 BCADLO CN1CC[N@@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000659946980 411507290 /nfs/dbraw/zinc/50/72/90/411507290.db2.gz KOGHGPOOYCODJT-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CN1CC[N@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000659946980 411507292 /nfs/dbraw/zinc/50/72/92/411507292.db2.gz KOGHGPOOYCODJT-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1c[nH]c(CNCC(F)(F)CO)[nH+]1 ZINC000657437812 411509978 /nfs/dbraw/zinc/50/99/78/411509978.db2.gz LBMVAXNOSFORJO-UHFFFAOYSA-N 1 2 205.208 0.435 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000659972356 411515403 /nfs/dbraw/zinc/51/54/03/411515403.db2.gz ZVFIXMPRKFCKGL-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC2(C1)CCOCC2 ZINC000659972356 411515407 /nfs/dbraw/zinc/51/54/07/411515407.db2.gz ZVFIXMPRKFCKGL-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO COc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)sn1 ZINC000659976499 411516304 /nfs/dbraw/zinc/51/63/04/411516304.db2.gz BTNMMMCXFNTVHZ-OCAPTIKFSA-N 1 2 244.316 0.079 20 0 BCADLO COc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)sn1 ZINC000659976499 411516309 /nfs/dbraw/zinc/51/63/09/411516309.db2.gz BTNMMMCXFNTVHZ-OCAPTIKFSA-N 1 2 244.316 0.079 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657456689 411517755 /nfs/dbraw/zinc/51/77/55/411517755.db2.gz JXJZQUMZYUXWIB-SNVBAGLBSA-N 1 2 240.307 0.100 20 0 BCADLO COC[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000659989335 411520892 /nfs/dbraw/zinc/52/08/92/411520892.db2.gz IVDXRAXQVZFBOK-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO COC[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000659989335 411520894 /nfs/dbraw/zinc/52/08/94/411520894.db2.gz IVDXRAXQVZFBOK-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CO[C@](C)(CO)C[NH2+]Cc1cn[nH]c1C ZINC000655809340 411522127 /nfs/dbraw/zinc/52/21/27/411522127.db2.gz XUIZCPYZBBXSDK-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO C[C@@H]1C[C@H]([N@H+](C)Cc2nnc[nH]2)CCO1 ZINC000659995055 411523253 /nfs/dbraw/zinc/52/32/53/411523253.db2.gz QIVMELRHOVGOCA-RKDXNWHRSA-N 1 2 210.281 0.804 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+](C)Cc2nnc[nH]2)CCO1 ZINC000659995055 411523255 /nfs/dbraw/zinc/52/32/55/411523255.db2.gz QIVMELRHOVGOCA-RKDXNWHRSA-N 1 2 210.281 0.804 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@H](C)O ZINC000657481929 411526545 /nfs/dbraw/zinc/52/65/45/411526545.db2.gz LUKOXIRSYPZGHP-DTWKUNHWSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000657477753 411526629 /nfs/dbraw/zinc/52/66/29/411526629.db2.gz YXFLJRAZSXGBTR-CKYFFXLPSA-N 1 2 249.314 0.765 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC1CCC1 ZINC000367255751 170000582 /nfs/dbraw/zinc/00/05/82/170000582.db2.gz PJNFSVOIENAJHK-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC1CCC1 ZINC000367255751 170000583 /nfs/dbraw/zinc/00/05/83/170000583.db2.gz PJNFSVOIENAJHK-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CCC1 ZINC000336253408 170001387 /nfs/dbraw/zinc/00/13/87/170001387.db2.gz IYHROUUCRCHVIX-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CCC1 ZINC000336253408 170001390 /nfs/dbraw/zinc/00/13/90/170001390.db2.gz IYHROUUCRCHVIX-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc[nH]1 ZINC000367630106 170001529 /nfs/dbraw/zinc/00/15/29/170001529.db2.gz DCQKOLQETJJRND-LLVKDONJSA-N 1 2 237.303 0.352 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc[nH]1 ZINC000367630106 170001532 /nfs/dbraw/zinc/00/15/32/170001532.db2.gz DCQKOLQETJJRND-LLVKDONJSA-N 1 2 237.303 0.352 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCC1 ZINC000334421291 170001616 /nfs/dbraw/zinc/00/16/16/170001616.db2.gz CVPBOSUQMPDEHH-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCC1 ZINC000334421291 170001617 /nfs/dbraw/zinc/00/16/17/170001617.db2.gz CVPBOSUQMPDEHH-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000336585713 170001666 /nfs/dbraw/zinc/00/16/66/170001666.db2.gz TXCQFJQCIFIHSH-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000336585713 170001667 /nfs/dbraw/zinc/00/16/67/170001667.db2.gz TXCQFJQCIFIHSH-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCN1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000236914295 170032612 /nfs/dbraw/zinc/03/26/12/170032612.db2.gz KYNFLLJOZPMUMA-MRVPVSSYSA-N 1 2 248.286 0.471 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)CO)[C@@H](C)C1 ZINC000336669345 170036137 /nfs/dbraw/zinc/03/61/37/170036137.db2.gz XRCUVPHCXYVFII-VWYCJHECSA-N 1 2 200.326 0.545 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000660126678 411541305 /nfs/dbraw/zinc/54/13/05/411541305.db2.gz SYFIUBDKVLPALE-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000660126678 411541306 /nfs/dbraw/zinc/54/13/06/411541306.db2.gz SYFIUBDKVLPALE-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO CCNC(=O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000357357631 170045972 /nfs/dbraw/zinc/04/59/72/170045972.db2.gz RBSPQVKQWNNGSY-UHFFFAOYSA-N 1 2 221.260 0.277 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000332499342 170055480 /nfs/dbraw/zinc/05/54/80/170055480.db2.gz ICSNECLHBVEDPO-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000332499342 170055481 /nfs/dbraw/zinc/05/54/81/170055481.db2.gz ICSNECLHBVEDPO-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccnn1C ZINC000119330133 170056941 /nfs/dbraw/zinc/05/69/41/170056941.db2.gz RQNCZPWFOLITAS-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccnn1C ZINC000119330133 170056943 /nfs/dbraw/zinc/05/69/43/170056943.db2.gz RQNCZPWFOLITAS-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cccnc1N ZINC000052730789 170057269 /nfs/dbraw/zinc/05/72/69/170057269.db2.gz CSHUKQSUHNTPKQ-UHFFFAOYSA-N 1 2 236.319 0.622 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cccnc1N ZINC000052730789 170057273 /nfs/dbraw/zinc/05/72/73/170057273.db2.gz CSHUKQSUHNTPKQ-UHFFFAOYSA-N 1 2 236.319 0.622 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnn(C)c1C ZINC000268860567 170057595 /nfs/dbraw/zinc/05/75/95/170057595.db2.gz DGDKDTDGIRKCMK-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnn(C)c1C ZINC000268860567 170057597 /nfs/dbraw/zinc/05/75/97/170057597.db2.gz DGDKDTDGIRKCMK-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cnn(CC)c1 ZINC000119298130 170058029 /nfs/dbraw/zinc/05/80/29/170058029.db2.gz HOJOAXQIHHZOLP-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cnn(CC)c1 ZINC000119298130 170058030 /nfs/dbraw/zinc/05/80/30/170058030.db2.gz HOJOAXQIHHZOLP-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCNC2=O)s1 ZINC000657525374 411542630 /nfs/dbraw/zinc/54/26/30/411542630.db2.gz YVWUGAJKNHSHOA-ZETCQYMHSA-N 1 2 211.290 0.430 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000072055229 170059857 /nfs/dbraw/zinc/05/98/57/170059857.db2.gz MHKQFAQPHNCRIQ-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000072055229 170059859 /nfs/dbraw/zinc/05/98/59/170059859.db2.gz MHKQFAQPHNCRIQ-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000374709002 170060926 /nfs/dbraw/zinc/06/09/26/170060926.db2.gz FDCNYVYLWAIVDV-UHFFFAOYSA-N 1 2 222.292 0.143 20 0 BCADLO CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335067769 170075493 /nfs/dbraw/zinc/07/54/93/170075493.db2.gz HLPMTUILLAIBDA-VIFPVBQESA-N 1 2 222.292 0.939 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000337815629 170079226 /nfs/dbraw/zinc/07/92/26/170079226.db2.gz NEGJIXQIEKNEAP-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000337815629 170079229 /nfs/dbraw/zinc/07/92/29/170079229.db2.gz NEGJIXQIEKNEAP-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000345356337 170089333 /nfs/dbraw/zinc/08/93/33/170089333.db2.gz USBQNUWDUWUTBX-RKDXNWHRSA-N 1 2 222.292 0.442 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000049217238 170089414 /nfs/dbraw/zinc/08/94/14/170089414.db2.gz XQWCFJXXOIDRTC-MRVPVSSYSA-N 1 2 208.265 0.722 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000345356335 170096286 /nfs/dbraw/zinc/09/62/86/170096286.db2.gz USBQNUWDUWUTBX-DTWKUNHWSA-N 1 2 222.292 0.442 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1ncccn1)C(C)C ZINC000339331474 170098425 /nfs/dbraw/zinc/09/84/25/170098425.db2.gz WLEYWNNMRNOEPV-LLVKDONJSA-N 1 2 236.319 0.727 20 0 BCADLO CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000358293062 170101743 /nfs/dbraw/zinc/10/17/43/170101743.db2.gz WVLGXNYQVAXSFJ-UHFFFAOYSA-N 1 2 249.314 0.664 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660221309 411555189 /nfs/dbraw/zinc/55/51/89/411555189.db2.gz NKBSSUYDELZDGY-NSHDSACASA-N 1 2 224.308 0.704 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660221309 411555191 /nfs/dbraw/zinc/55/51/91/411555191.db2.gz NKBSSUYDELZDGY-NSHDSACASA-N 1 2 224.308 0.704 20 0 BCADLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)nn1 ZINC000660142966 411544876 /nfs/dbraw/zinc/54/48/76/411544876.db2.gz NCTDUDOASBHILG-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1cc(=O)c(O)co1 ZINC000660142753 411545153 /nfs/dbraw/zinc/54/51/53/411545153.db2.gz FTEXIGOVPQZDIP-UHFFFAOYSA-N 1 2 235.243 0.701 20 0 BCADLO CC(=O)[C@](C)(O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660143049 411545187 /nfs/dbraw/zinc/54/51/87/411545187.db2.gz QKANYJCRWKNJKK-SNVBAGLBSA-N 1 2 211.265 0.182 20 0 BCADLO CCc1nocc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000660145805 411545454 /nfs/dbraw/zinc/54/54/54/411545454.db2.gz ZYSRXFXUTFWLLU-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000660145805 411545455 /nfs/dbraw/zinc/54/54/55/411545455.db2.gz ZYSRXFXUTFWLLU-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO CO[C@H](C[NH2+]Cc1cn[nH]c1C)[C@H]1CCOC1 ZINC000657543435 411547479 /nfs/dbraw/zinc/54/74/79/411547479.db2.gz LRWFPCLLXXFCBC-CMPLNLGQSA-N 1 2 239.319 0.859 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1cc[nH]n1 ZINC000660156489 411548022 /nfs/dbraw/zinc/54/80/22/411548022.db2.gz QZEUAALKRLLIQB-SECBINFHSA-N 1 2 213.306 0.319 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1cc[nH]n1 ZINC000660156489 411548024 /nfs/dbraw/zinc/54/80/24/411548024.db2.gz QZEUAALKRLLIQB-SECBINFHSA-N 1 2 213.306 0.319 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000660156411 411548219 /nfs/dbraw/zinc/54/82/19/411548219.db2.gz OSOWLPFEJISXRH-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000660156411 411548220 /nfs/dbraw/zinc/54/82/20/411548220.db2.gz OSOWLPFEJISXRH-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCOC(=O)C(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000130543172 170185670 /nfs/dbraw/zinc/18/56/70/170185670.db2.gz ZZLSTTSUWJABQV-UHFFFAOYSA-N 1 2 239.275 0.615 20 0 BCADLO CCOC(=O)C(C)(C)NCCn1cc[nH+]c1 ZINC000270910254 170187241 /nfs/dbraw/zinc/18/72/41/170187241.db2.gz SRRKRXXCGZMUPC-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CCOC(=O)CC1CC[NH+](CC(=O)OC)CC1 ZINC000120062608 170198065 /nfs/dbraw/zinc/19/80/65/170198065.db2.gz KTVGXUBKDOWERO-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)CCNc1[nH+]cnc2c1cnn2C ZINC000044572535 170209759 /nfs/dbraw/zinc/20/97/59/170209759.db2.gz BIXBPAGULFYZAC-UHFFFAOYSA-N 1 2 249.274 0.728 20 0 BCADLO CCOC(=O)C[N@H+](C)CCn1cc(C)cn1 ZINC000309144501 170214508 /nfs/dbraw/zinc/21/45/08/170214508.db2.gz GMJDWEXYPOKKRU-UHFFFAOYSA-N 1 2 225.292 0.686 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCn1cc(C)cn1 ZINC000309144501 170214509 /nfs/dbraw/zinc/21/45/09/170214509.db2.gz GMJDWEXYPOKKRU-UHFFFAOYSA-N 1 2 225.292 0.686 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H](CO)COC(C)C ZINC000342125157 170216152 /nfs/dbraw/zinc/21/61/52/170216152.db2.gz JCZLBGYVAYLYHQ-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000342125157 170216153 /nfs/dbraw/zinc/21/61/53/170216153.db2.gz JCZLBGYVAYLYHQ-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)C[N@H+](CC[C@@H](C)O)C1CC1 ZINC000122899510 170217630 /nfs/dbraw/zinc/21/76/30/170217630.db2.gz PDJVIFPVKIVPDW-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](CC[C@@H](C)O)C1CC1 ZINC000122899510 170217631 /nfs/dbraw/zinc/21/76/31/170217631.db2.gz PDJVIFPVKIVPDW-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@H+]1CC=C(COC)CC1 ZINC000185854386 170218916 /nfs/dbraw/zinc/21/89/16/170218916.db2.gz LJLDRIOCPHPJGE-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CCOC(=O)C[N@@H+]1CC=C(COC)CC1 ZINC000185854386 170218918 /nfs/dbraw/zinc/21/89/18/170218918.db2.gz LJLDRIOCPHPJGE-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000044564212 170219454 /nfs/dbraw/zinc/21/94/54/170219454.db2.gz UJWFDAYVPBDDJL-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000044564212 170219456 /nfs/dbraw/zinc/21/94/56/170219456.db2.gz UJWFDAYVPBDDJL-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369036519 170219646 /nfs/dbraw/zinc/21/96/46/170219646.db2.gz RTBBXQBBWNHDAV-LLVKDONJSA-N 1 2 242.275 0.124 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369036519 170219647 /nfs/dbraw/zinc/21/96/47/170219647.db2.gz RTBBXQBBWNHDAV-LLVKDONJSA-N 1 2 242.275 0.124 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375330901 170220597 /nfs/dbraw/zinc/22/05/97/170220597.db2.gz DRCSXTRPWRGTCK-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375330901 170220598 /nfs/dbraw/zinc/22/05/98/170220598.db2.gz DRCSXTRPWRGTCK-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368973093 170221389 /nfs/dbraw/zinc/22/13/89/170221389.db2.gz IXCBEHJSLVYUCP-QXEWZRGKSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368973093 170221391 /nfs/dbraw/zinc/22/13/91/170221391.db2.gz IXCBEHJSLVYUCP-QXEWZRGKSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000309620161 170226357 /nfs/dbraw/zinc/22/63/57/170226357.db2.gz DXJWGVXZHSTKAQ-NSHDSACASA-N 1 2 229.320 0.936 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000365804346 170226464 /nfs/dbraw/zinc/22/64/64/170226464.db2.gz DSKZBUMNRDVWII-SECBINFHSA-N 1 2 238.291 0.054 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000660232033 411556893 /nfs/dbraw/zinc/55/68/93/411556893.db2.gz GJTWFBMLAMGGSM-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000660232033 411556896 /nfs/dbraw/zinc/55/68/96/411556896.db2.gz GJTWFBMLAMGGSM-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO CCCCCN(CC(N)=O)Cc1cn(C)c[nH+]1 ZINC000660232033 411556897 /nfs/dbraw/zinc/55/68/97/411556897.db2.gz GJTWFBMLAMGGSM-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CCc1c[nH]nn1)CC2 ZINC000660241277 411558270 /nfs/dbraw/zinc/55/82/70/411558270.db2.gz IJGWNLGEFQGQDW-UHFFFAOYSA-N 1 2 232.291 0.368 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CCc1c[nH]nn1)CC2 ZINC000660241277 411558271 /nfs/dbraw/zinc/55/82/71/411558271.db2.gz IJGWNLGEFQGQDW-UHFFFAOYSA-N 1 2 232.291 0.368 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338591664 170268535 /nfs/dbraw/zinc/26/85/35/170268535.db2.gz JMOUDMGKPXCEDP-IUCAKERBSA-N 1 2 242.319 0.585 20 0 BCADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OC ZINC000309671761 170269750 /nfs/dbraw/zinc/26/97/50/170269750.db2.gz WGRGPFPYAJRWDZ-IWSPIJDZSA-N 1 2 231.292 0.725 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)O)C1CCOCC1 ZINC000337208347 170277581 /nfs/dbraw/zinc/27/75/81/170277581.db2.gz QJMODPUEVBQUKZ-MWLCHTKSSA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1cc[nH]n1 ZINC000354794517 170283784 /nfs/dbraw/zinc/28/37/84/170283784.db2.gz SFPDWTBEBBLDLP-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000354794517 170283786 /nfs/dbraw/zinc/28/37/86/170283786.db2.gz SFPDWTBEBBLDLP-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CC1(CO)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000660284436 411564740 /nfs/dbraw/zinc/56/47/40/411564740.db2.gz VFQMQRWYODRCAL-UHFFFAOYSA-N 1 2 224.308 0.442 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc(OC)ns2)C1 ZINC000660297322 411565450 /nfs/dbraw/zinc/56/54/50/411565450.db2.gz LEZMBXBWCMJEOY-UHFFFAOYSA-N 1 2 241.316 0.330 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660331527 411570462 /nfs/dbraw/zinc/57/04/62/411570462.db2.gz ANECFBJPUJSNPF-LBPRGKRZSA-N 1 2 238.335 0.832 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660331527 411570463 /nfs/dbraw/zinc/57/04/63/411570463.db2.gz ANECFBJPUJSNPF-LBPRGKRZSA-N 1 2 238.335 0.832 20 0 BCADLO C[C@H]1CC(O)C[C@H](C)[NH+]1CCc1cnn[nH]1 ZINC000660367413 411572599 /nfs/dbraw/zinc/57/25/99/411572599.db2.gz IEJLWOQVLIKHQF-IUCAKERBSA-N 1 2 224.308 0.581 20 0 BCADLO CCOC1CC(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000353939541 170322000 /nfs/dbraw/zinc/32/20/00/170322000.db2.gz OLBQIGMSXVFDQJ-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO CCOC1CC(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000353939541 170322002 /nfs/dbraw/zinc/32/20/02/170322002.db2.gz OLBQIGMSXVFDQJ-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO CCOCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374362261 170341351 /nfs/dbraw/zinc/34/13/51/170341351.db2.gz DKIJRUHPOFLNLI-GFCCVEGCSA-N 1 2 249.314 0.591 20 0 BCADLO CCOCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308621622 170342400 /nfs/dbraw/zinc/34/24/00/170342400.db2.gz ZXOFDDCHYCIYAE-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COC[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000660377958 411575571 /nfs/dbraw/zinc/57/55/71/411575571.db2.gz HJJDMZFZPYJWRR-GXSJLCMTSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000660377958 411575573 /nfs/dbraw/zinc/57/55/73/411575573.db2.gz HJJDMZFZPYJWRR-GXSJLCMTSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@H+](CCc2cn[nH]n2)C[C@H](C)O1 ZINC000660377958 411575574 /nfs/dbraw/zinc/57/55/74/411575574.db2.gz HJJDMZFZPYJWRR-GXSJLCMTSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H](C)O1 ZINC000660377958 411575576 /nfs/dbraw/zinc/57/55/76/411575576.db2.gz HJJDMZFZPYJWRR-GXSJLCMTSA-N 1 2 240.307 0.083 20 0 BCADLO CCOCC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000282258929 170355635 /nfs/dbraw/zinc/35/56/35/170355635.db2.gz HLNCYJRVPHOPEF-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CCOCCC[NH+]1CCS(=O)CC1 ZINC000119029821 170372728 /nfs/dbraw/zinc/37/27/28/170372728.db2.gz PIQMODJNHQUBLU-UHFFFAOYSA-N 1 2 205.323 0.477 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2cocn2)CS1(=O)=O ZINC000657640462 411569431 /nfs/dbraw/zinc/56/94/31/411569431.db2.gz XJUBQWGVAKEDGL-BDAKNGLRSA-N 1 2 244.316 0.730 20 0 BCADLO CCOCC[N@H+](C)Cc1nccnc1OC ZINC000294281369 170391836 /nfs/dbraw/zinc/39/18/36/170391836.db2.gz STJWATRAESOBIM-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CCOCC[N@@H+](C)Cc1nccnc1OC ZINC000294281369 170391837 /nfs/dbraw/zinc/39/18/37/170391837.db2.gz STJWATRAESOBIM-UHFFFAOYSA-N 1 2 225.292 0.954 20 0 BCADLO CCOCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000366706496 170397956 /nfs/dbraw/zinc/39/79/56/170397956.db2.gz FABCRSMKTBRWLF-UHFFFAOYSA-N 1 2 240.307 0.726 20 0 BCADLO CCOCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336653102 170399527 /nfs/dbraw/zinc/39/95/27/170399527.db2.gz XSIJHVHMXRGMAJ-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCOCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336653102 170399526 /nfs/dbraw/zinc/39/95/26/170399526.db2.gz XSIJHVHMXRGMAJ-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCOCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330488683 170399818 /nfs/dbraw/zinc/39/98/18/170399818.db2.gz KLILBTICSUQOFO-VIFPVBQESA-N 1 2 241.291 0.991 20 0 BCADLO CCOCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330488683 170399819 /nfs/dbraw/zinc/39/98/19/170399819.db2.gz KLILBTICSUQOFO-VIFPVBQESA-N 1 2 241.291 0.991 20 0 BCADLO CCN1CC(=O)N([C@H](C)c2[nH+]ccn2C)C1=O ZINC000663327736 411626503 /nfs/dbraw/zinc/62/65/03/411626503.db2.gz KPEBMVIBZYJVHI-MRVPVSSYSA-N 1 2 236.275 0.765 20 0 BCADLO CCN1CC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663327737 411627074 /nfs/dbraw/zinc/62/70/74/411627074.db2.gz KPEBMVIBZYJVHI-QMMMGPOBSA-N 1 2 236.275 0.765 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779312 411627310 /nfs/dbraw/zinc/62/73/10/411627310.db2.gz BJVUCWMXFRTYOS-IUCAKERBSA-N 1 2 210.306 0.537 20 0 BCADLO c1nn[nH]c1CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779312 411627312 /nfs/dbraw/zinc/62/73/12/411627312.db2.gz BJVUCWMXFRTYOS-IUCAKERBSA-N 1 2 210.306 0.537 20 0 BCADLO CCOCCNC(=O)COc1cc[nH+]cc1 ZINC000292437615 170405651 /nfs/dbraw/zinc/40/56/51/170405651.db2.gz MEEIEXLGXYGOMB-UHFFFAOYSA-N 1 2 224.260 0.613 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000373570070 411632057 /nfs/dbraw/zinc/63/20/57/411632057.db2.gz UHJLAJNIJSRNAO-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BCADLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660801491 411637287 /nfs/dbraw/zinc/63/72/87/411637287.db2.gz QIFSJDHIDUQEPM-QMMMGPOBSA-N 1 2 240.332 0.448 20 0 BCADLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660801491 411637290 /nfs/dbraw/zinc/63/72/90/411637290.db2.gz QIFSJDHIDUQEPM-QMMMGPOBSA-N 1 2 240.332 0.448 20 0 BCADLO CN(C)C(=O)C1([NH2+]Cc2cc[nH]n2)CC1 ZINC000660798735 411637779 /nfs/dbraw/zinc/63/77/79/411637779.db2.gz CEJQIBJPIRGTNR-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cn(C)cn3)C2)[nH]1 ZINC000660805988 411639854 /nfs/dbraw/zinc/63/98/54/411639854.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cn(C)cn3)C2)[nH]1 ZINC000660805988 411639859 /nfs/dbraw/zinc/63/98/59/411639859.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cn(C)cn3)C2)n1 ZINC000660805988 411639860 /nfs/dbraw/zinc/63/98/60/411639860.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cn(C)cn3)C2)n1 ZINC000660805988 411639865 /nfs/dbraw/zinc/63/98/65/411639865.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805988 411639867 /nfs/dbraw/zinc/63/98/67/411639867.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805988 411639870 /nfs/dbraw/zinc/63/98/70/411639870.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCOC1 ZINC000660804524 411639905 /nfs/dbraw/zinc/63/99/05/411639905.db2.gz JEYGYJBYWDRYII-MWLCHTKSSA-N 1 2 225.292 0.287 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](CCc3cnn[nH]3)C[C@@H]2C1 ZINC000660809288 411641996 /nfs/dbraw/zinc/64/19/96/411641996.db2.gz UDOMXDDOPWNZFS-JFGNBEQYSA-N 1 2 236.319 0.440 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](CCc3cnn[nH]3)C[C@@H]2C1 ZINC000660809288 411641999 /nfs/dbraw/zinc/64/19/99/411641999.db2.gz UDOMXDDOPWNZFS-JFGNBEQYSA-N 1 2 236.319 0.440 20 0 BCADLO COC[C@@](C)(O)CCNc1nc(C)[nH+]cc1C ZINC000582796206 411643702 /nfs/dbraw/zinc/64/37/02/411643702.db2.gz MEWCMAKQGKCLGG-LBPRGKRZSA-N 1 2 239.319 1.293 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000660813600 411644486 /nfs/dbraw/zinc/64/44/86/411644486.db2.gz WZELHIFRNXLCRD-WPRPVWTQSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000660813600 411644491 /nfs/dbraw/zinc/64/44/91/411644491.db2.gz WZELHIFRNXLCRD-WPRPVWTQSA-N 1 2 228.317 0.725 20 0 BCADLO CO[C@]1(C)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660443352 411585506 /nfs/dbraw/zinc/58/55/06/411585506.db2.gz HOAIEKSTJXESBH-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660443352 411585507 /nfs/dbraw/zinc/58/55/07/411585507.db2.gz HOAIEKSTJXESBH-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660475961 411590618 /nfs/dbraw/zinc/59/06/18/411590618.db2.gz DDFLFNQTOBVBKY-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660475961 411590620 /nfs/dbraw/zinc/59/06/20/411590620.db2.gz DDFLFNQTOBVBKY-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CON(CC)C2=O)CCCO1 ZINC000660469000 411590860 /nfs/dbraw/zinc/59/08/60/411590860.db2.gz MLWWBPPLCBWGGY-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CON(CC)C2=O)CCCO1 ZINC000660469000 411590862 /nfs/dbraw/zinc/59/08/62/411590862.db2.gz MLWWBPPLCBWGGY-GHMZBOCLSA-N 1 2 242.319 0.650 20 0 BCADLO CCc1nocc1C[N@@H+](CC)[C@H]1CCNC1=O ZINC000660478579 411591371 /nfs/dbraw/zinc/59/13/71/411591371.db2.gz UROUEDFVKMIHJU-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+](CC)[C@H]1CCNC1=O ZINC000660478579 411591373 /nfs/dbraw/zinc/59/13/73/411591373.db2.gz UROUEDFVKMIHJU-NSHDSACASA-N 1 2 237.303 0.947 20 0 BCADLO FC(F)C[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660545876 411598447 /nfs/dbraw/zinc/59/84/47/411598447.db2.gz ANVPGBWBDNBLNY-SECBINFHSA-N 1 2 246.261 0.703 20 0 BCADLO FC(F)C[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660545876 411598449 /nfs/dbraw/zinc/59/84/49/411598449.db2.gz ANVPGBWBDNBLNY-SECBINFHSA-N 1 2 246.261 0.703 20 0 BCADLO COC[C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660569602 411601836 /nfs/dbraw/zinc/60/18/36/411601836.db2.gz AFTBYFQQVCZKHF-SECBINFHSA-N 1 2 240.307 0.834 20 0 BCADLO COC[C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660569602 411601838 /nfs/dbraw/zinc/60/18/38/411601838.db2.gz AFTBYFQQVCZKHF-SECBINFHSA-N 1 2 240.307 0.834 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CCn2cncc2C1 ZINC000660581976 411602836 /nfs/dbraw/zinc/60/28/36/411602836.db2.gz MAJLYIOZJGQCTM-SNVBAGLBSA-N 1 2 209.293 0.860 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCn2cncc2C1 ZINC000660581976 411602838 /nfs/dbraw/zinc/60/28/38/411602838.db2.gz MAJLYIOZJGQCTM-SNVBAGLBSA-N 1 2 209.293 0.860 20 0 BCADLO C[C@@H](O)CCCN1CCn2c[nH+]cc2C1 ZINC000660581976 411602840 /nfs/dbraw/zinc/60/28/40/411602840.db2.gz MAJLYIOZJGQCTM-SNVBAGLBSA-N 1 2 209.293 0.860 20 0 BCADLO O=C1CCCN1CCCN1CCn2c[nH+]cc2C1 ZINC000660580762 411603219 /nfs/dbraw/zinc/60/32/19/411603219.db2.gz UFFJDMVFPNKUMR-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1CCn2cncc2C1 ZINC000660580762 411603220 /nfs/dbraw/zinc/60/32/20/411603220.db2.gz UFFJDMVFPNKUMR-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO O=C1CCCN1CCC[N@H+]1CCn2cncc2C1 ZINC000660580762 411603221 /nfs/dbraw/zinc/60/32/21/411603221.db2.gz UFFJDMVFPNKUMR-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO COc1cc(CN2CCn3c[nH+]cc3C2)on1 ZINC000660583881 411604289 /nfs/dbraw/zinc/60/42/89/411604289.db2.gz NOOLWEUXIFAWNL-UHFFFAOYSA-N 1 2 234.259 0.896 20 0 BCADLO Cc1cc(NCC2([S@](C)=O)CC2)nc[nH+]1 ZINC000336742983 411646218 /nfs/dbraw/zinc/64/62/18/411646218.db2.gz XLAXBAYYAFZRGJ-OAHLLOKOSA-N 1 2 225.317 1.108 20 0 BCADLO C[C@H]1C[N@H+](Cc2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000660639237 411610372 /nfs/dbraw/zinc/61/03/72/411610372.db2.gz HNRUDMTYTZBFIQ-YUMQZZPRSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@H]1C[N@@H+](Cc2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000660639237 411610374 /nfs/dbraw/zinc/61/03/74/411610374.db2.gz HNRUDMTYTZBFIQ-YUMQZZPRSA-N 1 2 244.316 0.767 20 0 BCADLO COC[C@@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660668626 411615845 /nfs/dbraw/zinc/61/58/45/411615845.db2.gz HTSHSSUGDSRQBZ-NSHDSACASA-N 1 2 224.308 0.706 20 0 BCADLO COC[C@@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660668626 411615846 /nfs/dbraw/zinc/61/58/46/411615846.db2.gz HTSHSSUGDSRQBZ-NSHDSACASA-N 1 2 224.308 0.706 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCOC1 ZINC000660706463 411618466 /nfs/dbraw/zinc/61/84/66/411618466.db2.gz VKGJDSJOZMSPPJ-SECBINFHSA-N 1 2 238.291 0.730 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCOC1 ZINC000660706463 411618467 /nfs/dbraw/zinc/61/84/67/411618467.db2.gz VKGJDSJOZMSPPJ-SECBINFHSA-N 1 2 238.291 0.730 20 0 BCADLO CC[C@@H](COC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660715638 411618637 /nfs/dbraw/zinc/61/86/37/411618637.db2.gz ODQXIKXWMDNCII-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@@H](COC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660715638 411618638 /nfs/dbraw/zinc/61/86/38/411618638.db2.gz ODQXIKXWMDNCII-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC2CC2)C1 ZINC000660727657 411619460 /nfs/dbraw/zinc/61/94/60/411619460.db2.gz JJTLXNVSXSVMMJ-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[C@@H](O)CN(Cc1cn(C)c[nH+]1)CC(F)F ZINC000660736569 411619948 /nfs/dbraw/zinc/61/99/48/411619948.db2.gz IJRQTXQGRQYAFR-MRVPVSSYSA-N 1 2 233.262 0.868 20 0 BCADLO CCOCCCCNc1nc[nH+]c(N)c1OC ZINC000388414479 411711248 /nfs/dbraw/zinc/71/12/48/411711248.db2.gz ACGYMBAGPCKYIB-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BCADLO CCOCCCCNc1[nH+]cnc(N)c1OC ZINC000388414479 411711253 /nfs/dbraw/zinc/71/12/53/411711253.db2.gz ACGYMBAGPCKYIB-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BCADLO CCOC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000355725197 411712342 /nfs/dbraw/zinc/71/23/42/411712342.db2.gz XPDTWZWUAHMZSQ-JTQLQIEISA-N 1 2 237.303 1.163 20 0 BCADLO Cc1cc(NCCCc2c[nH][nH]c2=O)nc[nH+]1 ZINC000631361450 411647552 /nfs/dbraw/zinc/64/75/52/411647552.db2.gz MFLYHEUDHAFUGW-VIFPVBQESA-N 1 2 233.275 0.709 20 0 BCADLO Cc1cc(NC[C@@H](CO)c2cccnc2)nc[nH+]1 ZINC000340942708 411651213 /nfs/dbraw/zinc/65/12/13/411651213.db2.gz SNUWVKKFBKMQKF-LBPRGKRZSA-N 1 2 244.298 1.368 20 0 BCADLO Cc1cc(NC[C@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000425264197 411651916 /nfs/dbraw/zinc/65/19/16/411651916.db2.gz FBHFMWWSKRQQNN-JTQLQIEISA-N 1 2 234.303 1.065 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)Cc1n[nH]c(=O)o1 ZINC000660841511 411652583 /nfs/dbraw/zinc/65/25/83/411652583.db2.gz FQUQVWRCLCYPQN-UHFFFAOYSA-N 1 2 209.209 0.130 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)Cc1n[nH]c(=O)o1 ZINC000660841511 411652587 /nfs/dbraw/zinc/65/25/87/411652587.db2.gz FQUQVWRCLCYPQN-UHFFFAOYSA-N 1 2 209.209 0.130 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1n[nH]c(=O)o1 ZINC000660844011 411653813 /nfs/dbraw/zinc/65/38/13/411653813.db2.gz DAPSXYRNDDLTHV-QMMMGPOBSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1n[nH]c(=O)o1 ZINC000660844011 411653817 /nfs/dbraw/zinc/65/38/17/411653817.db2.gz DAPSXYRNDDLTHV-QMMMGPOBSA-N 1 2 227.264 0.776 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000298655475 170511251 /nfs/dbraw/zinc/51/12/51/170511251.db2.gz APDVELCOPOVORW-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO Cc1cc(NCc2cc[nH]c(=O)c2)nc[nH+]1 ZINC000336730429 411655255 /nfs/dbraw/zinc/65/52/55/411655255.db2.gz IHOOSNCHIBYHBD-UHFFFAOYSA-N 1 2 216.244 1.498 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849917 411656011 /nfs/dbraw/zinc/65/60/11/411656011.db2.gz QSKWLSASOQNHPV-UHFFFAOYSA-N 1 2 242.279 0.122 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849917 411656015 /nfs/dbraw/zinc/65/60/15/411656015.db2.gz QSKWLSASOQNHPV-UHFFFAOYSA-N 1 2 242.279 0.122 20 0 BCADLO Cc1cc(NCc2n[nH]c(=O)n2C)nc[nH+]1 ZINC000631347203 411656194 /nfs/dbraw/zinc/65/61/94/411656194.db2.gz CHRZKCAFGNUTSW-UHFFFAOYSA-N 1 2 220.236 0.231 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCOC1 ZINC000660848521 411656226 /nfs/dbraw/zinc/65/62/26/411656226.db2.gz ODIMPCVHBMZTLK-QMMMGPOBSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCOC1 ZINC000660848521 411656228 /nfs/dbraw/zinc/65/62/28/411656228.db2.gz ODIMPCVHBMZTLK-QMMMGPOBSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@H+](CCOCC1CC1)Cc1n[nH]c(=O)o1 ZINC000660849655 411656657 /nfs/dbraw/zinc/65/66/57/411656657.db2.gz PEBBKGMNGIYMGY-UHFFFAOYSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@@H+](CCOCC1CC1)Cc1n[nH]c(=O)o1 ZINC000660849655 411656661 /nfs/dbraw/zinc/65/66/61/411656661.db2.gz PEBBKGMNGIYMGY-UHFFFAOYSA-N 1 2 227.264 0.634 20 0 BCADLO Cc1cc(N[C@H](C)C(=O)N(C)C)nc(C2CC2)[nH+]1 ZINC000357644082 411657275 /nfs/dbraw/zinc/65/72/75/411657275.db2.gz MMDZHEDTAIFAMG-SECBINFHSA-N 1 2 248.330 1.551 20 0 BCADLO COCc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000584675033 411658705 /nfs/dbraw/zinc/65/87/05/411658705.db2.gz XGAKBEFNRUQASK-UHFFFAOYSA-N 1 2 233.275 0.932 20 0 BCADLO Cc1cc(Nc2ccn(CCO)n2)nc(C)[nH+]1 ZINC000548364053 411658851 /nfs/dbraw/zinc/65/88/51/411658851.db2.gz ZPMFSLFNHYUHTH-UHFFFAOYSA-N 1 2 233.275 1.026 20 0 BCADLO CCc1nnc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)[nH]1 ZINC000660897697 411664364 /nfs/dbraw/zinc/66/43/64/411664364.db2.gz DGFDSNFAHGCYOH-SSDOTTSWSA-N 1 2 237.307 0.235 20 0 BCADLO CCOC(=O)C1(CNc2cc[nH+]c(C)n2)CC1 ZINC000351580120 411667233 /nfs/dbraw/zinc/66/72/33/411667233.db2.gz CTBWGDVLDZXZSN-UHFFFAOYSA-N 1 2 235.287 1.540 20 0 BCADLO CO[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631238789 411669447 /nfs/dbraw/zinc/66/94/47/411669447.db2.gz ORCNJDSEMWBCAD-WDSKDSINSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@@H](C)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631238789 411669451 /nfs/dbraw/zinc/66/94/51/411669451.db2.gz ORCNJDSEMWBCAD-WDSKDSINSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000334113071 411671073 /nfs/dbraw/zinc/67/10/73/411671073.db2.gz DQSHBXKJMYMAFM-WDEREUQCSA-N 1 2 249.314 1.488 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1CC(F)(F)C1 ZINC000383589489 411680139 /nfs/dbraw/zinc/68/01/39/411680139.db2.gz XLSHDBIQLYPBKA-UHFFFAOYSA-N 1 2 244.245 1.525 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1CC(F)(F)C1 ZINC000383589489 411680144 /nfs/dbraw/zinc/68/01/44/411680144.db2.gz XLSHDBIQLYPBKA-UHFFFAOYSA-N 1 2 244.245 1.525 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCCF ZINC000660931972 411681217 /nfs/dbraw/zinc/68/12/17/411681217.db2.gz WEIZLXZZXNGHEU-UHFFFAOYSA-N 1 2 214.244 0.911 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCCF ZINC000660931972 411681222 /nfs/dbraw/zinc/68/12/22/411681222.db2.gz WEIZLXZZXNGHEU-UHFFFAOYSA-N 1 2 214.244 0.911 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@]1(C)CCOC1 ZINC000397281419 411681686 /nfs/dbraw/zinc/68/16/86/411681686.db2.gz MXRQFZRSEVWXLE-LLVKDONJSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@]1(C)CCOC1 ZINC000397281419 411681692 /nfs/dbraw/zinc/68/16/92/411681692.db2.gz MXRQFZRSEVWXLE-LLVKDONJSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@](C)(O)C(C)C ZINC000379855497 411682781 /nfs/dbraw/zinc/68/27/81/411682781.db2.gz MVGFRZSJOSEETR-NSHDSACASA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@](C)(O)C(C)C ZINC000379855497 411682783 /nfs/dbraw/zinc/68/27/83/411682783.db2.gz MVGFRZSJOSEETR-NSHDSACASA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cncc(C)c1 ZINC000566481505 411683604 /nfs/dbraw/zinc/68/36/04/411683604.db2.gz DRWUYOLFLYZLRY-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cncc(C)c1 ZINC000566481505 411683609 /nfs/dbraw/zinc/68/36/09/411683609.db2.gz DRWUYOLFLYZLRY-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BCADLO C[C@@H](NC(=O)N[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000660945736 411685768 /nfs/dbraw/zinc/68/57/68/411685768.db2.gz NCCXFUWDCUYZKT-RKDXNWHRSA-N 1 2 238.291 0.569 20 0 BCADLO OC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000447803015 411690599 /nfs/dbraw/zinc/69/05/99/411690599.db2.gz PMSQMURDGQBYMM-GHMZBOCLSA-N 1 2 249.314 1.306 20 0 BCADLO OCc1cc[nH+]c(NCCCn2ccnn2)c1 ZINC000641487397 411690946 /nfs/dbraw/zinc/69/09/46/411690946.db2.gz QFENMKAYGXQABO-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO C[C@@H](CN(C)Cc1c[nH+]c[nH]1)CS(C)(=O)=O ZINC000661084271 411697876 /nfs/dbraw/zinc/69/78/76/411697876.db2.gz DKKWCIZOJHCRBT-VIFPVBQESA-N 1 2 245.348 0.522 20 0 BCADLO C[C@@H](CN(C)Cc1c[nH]c[nH+]1)CS(C)(=O)=O ZINC000661084271 411697880 /nfs/dbraw/zinc/69/78/80/411697880.db2.gz DKKWCIZOJHCRBT-VIFPVBQESA-N 1 2 245.348 0.522 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)[C@@H]1CCOC1 ZINC000567521285 411734936 /nfs/dbraw/zinc/73/49/36/411734936.db2.gz XXGNVNGNRWCDNX-GHMZBOCLSA-N 1 2 237.303 0.903 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](O)[C@@H]1CCOC1 ZINC000567521286 411735018 /nfs/dbraw/zinc/73/50/18/411735018.db2.gz XXGNVNGNRWCDNX-MNOVXSKESA-N 1 2 237.303 0.903 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)C(C)C ZINC000583704037 411735512 /nfs/dbraw/zinc/73/55/12/411735512.db2.gz SNAKUJKPKLMNMX-SNVBAGLBSA-N 1 2 209.293 1.522 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCNC(=O)N(C)C ZINC000570558699 411736003 /nfs/dbraw/zinc/73/60/03/411736003.db2.gz YXDHCCVIXUOKKR-UHFFFAOYSA-N 1 2 237.307 0.777 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCO[C@H]1C ZINC000571656455 411736590 /nfs/dbraw/zinc/73/65/90/411736590.db2.gz BYBUQPTVLCDJKF-CABZTGNLSA-N 1 2 237.303 1.045 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)c1nncn1C ZINC000562143843 411736865 /nfs/dbraw/zinc/73/68/65/411736865.db2.gz BFULBXYZMPCARB-SECBINFHSA-N 1 2 246.318 1.438 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)Cn1cncn1 ZINC000562126860 411738305 /nfs/dbraw/zinc/73/83/05/411738305.db2.gz UYXKUQSVAUPZNL-VIFPVBQESA-N 1 2 232.291 1.186 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCO[C@H]1C ZINC000571656457 411738875 /nfs/dbraw/zinc/73/88/75/411738875.db2.gz BYBUQPTVLCDJKF-JOYOIKCWSA-N 1 2 237.303 1.045 20 0 BCADLO Cc1cncnc1NCCn1cc[nH+]c1 ZINC000641276735 411743101 /nfs/dbraw/zinc/74/31/01/411743101.db2.gz IYHKLKSEQQOVBC-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BCADLO CC[C@H](CNc1cc(C)[nH+]cn1)C(=O)OC ZINC000591972289 411748419 /nfs/dbraw/zinc/74/84/19/411748419.db2.gz CAEDKUUOZPZLON-SECBINFHSA-N 1 2 223.276 1.396 20 0 BCADLO CC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@@H](C)O ZINC000450786418 411752383 /nfs/dbraw/zinc/75/23/83/411752383.db2.gz AJVRYYWXULESSN-APPZFPTMSA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@@H](C)O ZINC000450786418 411752388 /nfs/dbraw/zinc/75/23/88/411752388.db2.gz AJVRYYWXULESSN-APPZFPTMSA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@](C)(O)CNc1nc[nH+]c2c1OCCN2 ZINC000647864563 411754147 /nfs/dbraw/zinc/75/41/47/411754147.db2.gz HCUJPRREVWLCMJ-NSHDSACASA-N 1 2 238.291 0.854 20 0 BCADLO CC[C@](C)(O)CNc1[nH+]cnc2c1OCCN2 ZINC000647864563 411754150 /nfs/dbraw/zinc/75/41/50/411754150.db2.gz HCUJPRREVWLCMJ-NSHDSACASA-N 1 2 238.291 0.854 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)c1cnccn1 ZINC000663853802 411761987 /nfs/dbraw/zinc/76/19/87/411761987.db2.gz IBDCUDXKGIPDDK-LLVKDONJSA-N 1 2 236.319 0.634 20 0 BCADLO Cc1nc(N(C)C)nc(NCCn2cccn2)[nH+]1 ZINC000488371287 411766549 /nfs/dbraw/zinc/76/65/49/411766549.db2.gz JKJQVLSFNJOIIQ-UHFFFAOYSA-N 1 2 247.306 0.555 20 0 BCADLO Cc1nc(NCCn2cccn2)nc(N(C)C)[nH+]1 ZINC000488371287 411766555 /nfs/dbraw/zinc/76/65/55/411766555.db2.gz JKJQVLSFNJOIIQ-UHFFFAOYSA-N 1 2 247.306 0.555 20 0 BCADLO O[C@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(F)F ZINC000661401342 411769430 /nfs/dbraw/zinc/76/94/30/411769430.db2.gz XMPRRXBSDZHRSO-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(F)F ZINC000661401342 411769432 /nfs/dbraw/zinc/76/94/32/411769432.db2.gz XMPRRXBSDZHRSO-IUCAKERBSA-N 1 2 221.247 0.725 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@@H](O)C(F)(F)C2)c1 ZINC000661405526 411769449 /nfs/dbraw/zinc/76/94/49/411769449.db2.gz FPFASYTWZVEQMD-SECBINFHSA-N 1 2 231.246 0.622 20 0 BCADLO CCc1cc(NCCn2cnccc2=O)nc[nH+]1 ZINC000641646847 411769957 /nfs/dbraw/zinc/76/99/57/411769957.db2.gz XYUQAHPOAXGKAS-UHFFFAOYSA-N 1 2 245.286 0.708 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661412083 411770877 /nfs/dbraw/zinc/77/08/77/411770877.db2.gz CUTVALAQPYWSRT-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661412083 411770880 /nfs/dbraw/zinc/77/08/80/411770880.db2.gz CUTVALAQPYWSRT-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO Cc1nnc(N2CCc3[nH+]c[nH]c3C2)nc1C ZINC000663918758 411776013 /nfs/dbraw/zinc/77/60/13/411776013.db2.gz CVCSGZHLPLSRRN-UHFFFAOYSA-N 1 2 230.275 0.774 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000661440116 411776276 /nfs/dbraw/zinc/77/62/76/411776276.db2.gz FZNWSLOAQOYJDI-CMPLNLGQSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000661440116 411776280 /nfs/dbraw/zinc/77/62/80/411776280.db2.gz FZNWSLOAQOYJDI-CMPLNLGQSA-N 1 2 238.335 0.830 20 0 BCADLO COc1nccc(CNc2cc[nH+]c(C)n2)n1 ZINC000450602342 411776981 /nfs/dbraw/zinc/77/69/81/411776981.db2.gz WOHUFUQGCKSRBE-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCOCCO)[nH+]1 ZINC000433786120 411778587 /nfs/dbraw/zinc/77/85/87/411778587.db2.gz MCUQLXUNDSNZBO-UHFFFAOYSA-N 1 2 236.275 0.687 20 0 BCADLO CC(CO)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000663937632 411781632 /nfs/dbraw/zinc/78/16/32/411781632.db2.gz MSIWTAXRTHKJIF-UHFFFAOYSA-N 1 2 237.303 0.757 20 0 BCADLO CC(C)CN1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC000663939175 411782969 /nfs/dbraw/zinc/78/29/69/411782969.db2.gz XYZCBOPWTNCCRI-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)CN1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC000663939175 411782972 /nfs/dbraw/zinc/78/29/72/411782972.db2.gz XYZCBOPWTNCCRI-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCNC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465351 411783798 /nfs/dbraw/zinc/78/37/98/411783798.db2.gz CZFHZNNXZVEPOI-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465351 411783802 /nfs/dbraw/zinc/78/38/02/411783802.db2.gz CZFHZNNXZVEPOI-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cnn[nH]1)C2 ZINC000661492898 411790243 /nfs/dbraw/zinc/79/02/43/411790243.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cnn[nH]1)C2 ZINC000661492898 411790245 /nfs/dbraw/zinc/79/02/45/411790245.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c[nH]nn1)C2 ZINC000661492898 411790248 /nfs/dbraw/zinc/79/02/48/411790248.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1c[nH]nn1)C2 ZINC000661492898 411790251 /nfs/dbraw/zinc/79/02/51/411790251.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cn[nH]n1)C2 ZINC000661492898 411790253 /nfs/dbraw/zinc/79/02/53/411790253.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cn[nH]n1)C2 ZINC000661492898 411790256 /nfs/dbraw/zinc/79/02/56/411790256.db2.gz SVVIJBKNPAPSAH-PHIMTYICSA-N 1 2 222.292 0.663 20 0 BCADLO Cc1cc(N[C@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000663674159 411720722 /nfs/dbraw/zinc/72/07/22/411720722.db2.gz QENKSQQQOOCQBM-VIFPVBQESA-N 1 2 235.291 0.740 20 0 BCADLO CC[C@@H](CCO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488412759 411727881 /nfs/dbraw/zinc/72/78/81/411727881.db2.gz BRJVVDNINQEOLA-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@@H](CCO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488412759 411727884 /nfs/dbraw/zinc/72/78/84/411727884.db2.gz BRJVVDNINQEOLA-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO Nc1nc(N[C@H]2CCNC2=O)[nH+]c2ccccc12 ZINC000664133231 411864543 /nfs/dbraw/zinc/86/45/43/411864543.db2.gz FFQFMBDGRHTPKW-VIFPVBQESA-N 1 2 243.270 0.512 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661552050 411801053 /nfs/dbraw/zinc/80/10/53/411801053.db2.gz ZJIQGNRSEWDOAV-HLTSFMKQSA-N 1 2 212.293 0.407 20 0 BCADLO C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661553246 411801100 /nfs/dbraw/zinc/80/11/00/411801100.db2.gz WKBRQUVXJKMOFQ-OPRDCNLKSA-N 1 2 238.331 0.810 20 0 BCADLO COC[C@@]1(CO)CCN(c2cc(C)[nH+]cn2)C1 ZINC000663985504 411802166 /nfs/dbraw/zinc/80/21/66/411802166.db2.gz VPRJDPKUGHXFJU-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@H]1COCCO1 ZINC000664000576 411809743 /nfs/dbraw/zinc/80/97/43/411809743.db2.gz VFFKYYXAOIKQMJ-QMMMGPOBSA-N 1 2 249.274 0.283 20 0 BCADLO CCn1cc[nH+]c1CNc1nnc(C)c(C)n1 ZINC000385362988 411813668 /nfs/dbraw/zinc/81/36/68/411813668.db2.gz PMPPDZZDSZHIOR-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BCADLO C[N@@H+](Cc1ncccn1)C[C@H]1COCCO1 ZINC000661611565 411815780 /nfs/dbraw/zinc/81/57/80/411815780.db2.gz KWKCKWMMTSWXMM-JTQLQIEISA-N 1 2 223.276 0.324 20 0 BCADLO C[N@H+](Cc1ncccn1)C[C@H]1COCCO1 ZINC000661611565 411815785 /nfs/dbraw/zinc/81/57/85/411815785.db2.gz KWKCKWMMTSWXMM-JTQLQIEISA-N 1 2 223.276 0.324 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccn2nnnc12 ZINC000536986085 411823320 /nfs/dbraw/zinc/82/33/20/411823320.db2.gz MVKOTMHRZDNRME-QMMMGPOBSA-N 1 2 244.262 0.216 20 0 BCADLO CCn1ncnc1CNc1cc(C)[nH+]cn1 ZINC000336752000 411824689 /nfs/dbraw/zinc/82/46/89/411824689.db2.gz DCNMCTFAZDRJQE-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSc2cnccn2)C1 ZINC000664049292 411829914 /nfs/dbraw/zinc/82/99/14/411829914.db2.gz GAXNHFQZLIJICJ-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@@H](CSc2cnccn2)C1 ZINC000664049292 411829921 /nfs/dbraw/zinc/82/99/21/411829921.db2.gz GAXNHFQZLIJICJ-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CC2=CCCOC2)C1=O ZINC000661653475 411831033 /nfs/dbraw/zinc/83/10/33/411831033.db2.gz KDIHEPHKCFTWBM-LLVKDONJSA-N 1 2 240.303 0.427 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CC2=CCCOC2)C1=O ZINC000661653475 411831035 /nfs/dbraw/zinc/83/10/35/411831035.db2.gz KDIHEPHKCFTWBM-LLVKDONJSA-N 1 2 240.303 0.427 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000664134365 411866617 /nfs/dbraw/zinc/86/66/17/411866617.db2.gz YFPMMGQHUNFNMX-VIFPVBQESA-N 1 2 247.302 0.377 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000664134365 411866620 /nfs/dbraw/zinc/86/66/20/411866620.db2.gz YFPMMGQHUNFNMX-VIFPVBQESA-N 1 2 247.302 0.377 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661688323 411838002 /nfs/dbraw/zinc/83/80/02/411838002.db2.gz ZZZMPSWGPVVZGN-DTWKUNHWSA-N 1 2 240.307 0.815 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000377373383 411844439 /nfs/dbraw/zinc/84/44/39/411844439.db2.gz MGNUMNWADKZARH-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661703524 411848464 /nfs/dbraw/zinc/84/84/64/411848464.db2.gz UHWBHANILUJLEE-KOLCDFICSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661703524 411848465 /nfs/dbraw/zinc/84/84/65/411848465.db2.gz UHWBHANILUJLEE-KOLCDFICSA-N 1 2 223.276 0.846 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422790558 411849999 /nfs/dbraw/zinc/84/99/99/411849999.db2.gz PJDSMBFZMYBKAW-HTQZYQBOSA-N 1 2 235.243 0.411 20 0 BCADLO C[C@]12COC[C@@H]1C[N@H+](CCc1cnn[nH]1)C2 ZINC000661708578 411851771 /nfs/dbraw/zinc/85/17/71/411851771.db2.gz NRVLEBRZAVXRMU-ONGXEEELSA-N 1 2 222.292 0.316 20 0 BCADLO C[C@]12COC[C@@H]1C[N@@H+](CCc1cnn[nH]1)C2 ZINC000661708578 411851773 /nfs/dbraw/zinc/85/17/73/411851773.db2.gz NRVLEBRZAVXRMU-ONGXEEELSA-N 1 2 222.292 0.316 20 0 BCADLO C[C@]12COC[C@H]1C[N@H+](CCc1cnn[nH]1)C2 ZINC000661708575 411852175 /nfs/dbraw/zinc/85/21/75/411852175.db2.gz NRVLEBRZAVXRMU-KOLCDFICSA-N 1 2 222.292 0.316 20 0 BCADLO C[C@]12COC[C@H]1C[N@@H+](CCc1cnn[nH]1)C2 ZINC000661708575 411852180 /nfs/dbraw/zinc/85/21/80/411852180.db2.gz NRVLEBRZAVXRMU-KOLCDFICSA-N 1 2 222.292 0.316 20 0 BCADLO CCN(C[C@@H]1CCCO1)c1nc(C)[nH+]c(N)n1 ZINC000383408044 411857863 /nfs/dbraw/zinc/85/78/63/411857863.db2.gz SFRBWASQWSUNRQ-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CCN(C[C@@H]1CCCO1)c1nc(N)nc(C)[nH+]1 ZINC000383408044 411857866 /nfs/dbraw/zinc/85/78/66/411857866.db2.gz SFRBWASQWSUNRQ-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CCN1CCC[N@H+](Cc2ccc(N)nc2)CC1=O ZINC000647538069 411858434 /nfs/dbraw/zinc/85/84/34/411858434.db2.gz FCYFQURKNUBLSE-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccc(N)nc2)CC1=O ZINC000647538069 411858438 /nfs/dbraw/zinc/85/84/38/411858438.db2.gz FCYFQURKNUBLSE-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CN(C)c1nc(N)nc(C[NH+]2C3CCC2CC3)n1 ZINC000532915431 411858904 /nfs/dbraw/zinc/85/89/04/411858904.db2.gz HYKKZLZELNKYFN-UHFFFAOYSA-N 1 2 248.334 0.647 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661723901 411859733 /nfs/dbraw/zinc/85/97/33/411859733.db2.gz XXZPLCVSFUPYOP-GZMMTYOYSA-N 1 2 238.291 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661723901 411859737 /nfs/dbraw/zinc/85/97/37/411859737.db2.gz XXZPLCVSFUPYOP-GZMMTYOYSA-N 1 2 238.291 0.092 20 0 BCADLO CCO/C=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000493856263 411861512 /nfs/dbraw/zinc/86/15/12/411861512.db2.gz LNAVLYMRKQMSQV-SNAWJCMRSA-N 1 2 236.275 0.534 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2ccc(CO)cc2)nn1 ZINC000661744676 411862932 /nfs/dbraw/zinc/86/29/32/411862932.db2.gz LTSJVZAZZFJUED-UHFFFAOYSA-N 1 2 246.314 0.939 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2ccc(CO)cc2)nn1 ZINC000661744676 411862937 /nfs/dbraw/zinc/86/29/37/411862937.db2.gz LTSJVZAZZFJUED-UHFFFAOYSA-N 1 2 246.314 0.939 20 0 BCADLO COc1cccc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000385015254 411863186 /nfs/dbraw/zinc/86/31/86/411863186.db2.gz YEUYMEBSTOOQBZ-UHFFFAOYSA-N 1 2 245.286 0.805 20 0 BCADLO COc1cccc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000385015254 411863191 /nfs/dbraw/zinc/86/31/91/411863191.db2.gz YEUYMEBSTOOQBZ-UHFFFAOYSA-N 1 2 245.286 0.805 20 0 BCADLO Cc1nc(C[N@@H+]2CCC(=O)N(C)CC2)c(C)o1 ZINC000661804385 411887113 /nfs/dbraw/zinc/88/71/13/411887113.db2.gz AMAJDFBRPKNMFZ-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCC(=O)N(C)CC2)c(C)o1 ZINC000661804385 411887116 /nfs/dbraw/zinc/88/71/16/411887116.db2.gz AMAJDFBRPKNMFZ-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cn1cnc(C[N@H+]2CCC(=O)N(C)CC2)c1 ZINC000661805220 411887567 /nfs/dbraw/zinc/88/75/67/411887567.db2.gz DRWAWQPYOQLSBB-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000661805220 411887571 /nfs/dbraw/zinc/88/75/71/411887571.db2.gz DRWAWQPYOQLSBB-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1c[nH+]c(CN2CCC(=O)N(C)CC2)c1 ZINC000661805220 411887574 /nfs/dbraw/zinc/88/75/74/411887574.db2.gz DRWAWQPYOQLSBB-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1cncc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000661812610 411890288 /nfs/dbraw/zinc/89/02/88/411890288.db2.gz PBSJFKOVCCSRRL-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661812610 411890290 /nfs/dbraw/zinc/89/02/90/411890290.db2.gz PBSJFKOVCCSRRL-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1c[nH+]cc1CN1CCC(=O)N(C)CC1 ZINC000661812610 411890292 /nfs/dbraw/zinc/89/02/92/411890292.db2.gz PBSJFKOVCCSRRL-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552389 411891850 /nfs/dbraw/zinc/89/18/50/411891850.db2.gz YLDXIUGRGPKZHP-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552389 411891851 /nfs/dbraw/zinc/89/18/51/411891851.db2.gz YLDXIUGRGPKZHP-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO Cc1nc(N(C)C)nc(NC/C=C\CO)[nH+]1 ZINC000664238626 411893083 /nfs/dbraw/zinc/89/30/83/411893083.db2.gz YVYMETXQECODOV-PLNGDYQASA-N 1 2 223.280 0.206 20 0 BCADLO Cc1nc(NC/C=C\CO)nc(N(C)C)[nH+]1 ZINC000664238626 411893088 /nfs/dbraw/zinc/89/30/88/411893088.db2.gz YVYMETXQECODOV-PLNGDYQASA-N 1 2 223.280 0.206 20 0 BCADLO CO[C@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000383427381 411897864 /nfs/dbraw/zinc/89/78/64/411897864.db2.gz BDSGGFDZHULMNO-LLVKDONJSA-N 1 2 237.307 0.768 20 0 BCADLO CO[C@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000383427381 411897870 /nfs/dbraw/zinc/89/78/70/411897870.db2.gz BDSGGFDZHULMNO-LLVKDONJSA-N 1 2 237.307 0.768 20 0 BCADLO CO[C@H](CNc1nc(C)[nH+]c(N)n1)C(C)(C)C ZINC000631138408 411898025 /nfs/dbraw/zinc/89/80/25/411898025.db2.gz IKQOCKBICQNZKJ-MRVPVSSYSA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@H](CNc1nc(N)nc(C)[nH+]1)C(C)(C)C ZINC000631138408 411898032 /nfs/dbraw/zinc/89/80/32/411898032.db2.gz IKQOCKBICQNZKJ-MRVPVSSYSA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000631395303 411898274 /nfs/dbraw/zinc/89/82/74/411898274.db2.gz YYGQMJOAWVRCKD-KNVOCYPGSA-N 1 2 209.253 0.352 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000631395303 411898278 /nfs/dbraw/zinc/89/82/78/411898278.db2.gz YYGQMJOAWVRCKD-KNVOCYPGSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1cc(N2CC[C@H](O)C(F)(F)C2)nc[nH+]1 ZINC000664258670 411902260 /nfs/dbraw/zinc/90/22/60/411902260.db2.gz FOEDVVMRZUYSPB-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@@H]2C2CC2)c[nH+]1 ZINC000576469211 411913218 /nfs/dbraw/zinc/91/32/18/411913218.db2.gz UPHFHFHUEPAWSE-MNOVXSKESA-N 1 2 246.314 1.030 20 0 BCADLO Cc1nc(NCC(C)(C)C(C)(C)O)nc(N)[nH+]1 ZINC000393544399 411942950 /nfs/dbraw/zinc/94/29/50/411942950.db2.gz PYJAFTKFHOCVEK-UHFFFAOYSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(N)nc(NCC(C)(C)C(C)(C)O)[nH+]1 ZINC000393544399 411942955 /nfs/dbraw/zinc/94/29/55/411942955.db2.gz PYJAFTKFHOCVEK-UHFFFAOYSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(NC[C@H]2CC23CCOCC3)nc(N)[nH+]1 ZINC000631223233 411943047 /nfs/dbraw/zinc/94/30/47/411943047.db2.gz ZGSGOIOWKIVBDT-SECBINFHSA-N 1 2 249.318 0.413 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CC23CCOCC3)[nH+]1 ZINC000631223233 411943051 /nfs/dbraw/zinc/94/30/51/411943051.db2.gz ZGSGOIOWKIVBDT-SECBINFHSA-N 1 2 249.318 0.413 20 0 BCADLO Cc1nc(C[N@@H+]2CCC(CO)(CO)C2)cs1 ZINC000661962077 411921599 /nfs/dbraw/zinc/92/15/99/411921599.db2.gz DJQZNGVXAQZFLZ-UHFFFAOYSA-N 1 2 242.344 0.628 20 0 BCADLO Cc1nc(C[N@H+]2CCC(CO)(CO)C2)cs1 ZINC000661962077 411921607 /nfs/dbraw/zinc/92/16/07/411921607.db2.gz DJQZNGVXAQZFLZ-UHFFFAOYSA-N 1 2 242.344 0.628 20 0 BCADLO Cc1nc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc[nH+]1 ZINC000664342371 411926321 /nfs/dbraw/zinc/92/63/21/411926321.db2.gz JCILNBILSCOQBG-GHMZBOCLSA-N 1 2 246.314 0.890 20 0 BCADLO Cc1nc(N[C@@H](C)CC(C)C)nc(N)[nH+]1 ZINC000382368149 411943390 /nfs/dbraw/zinc/94/33/90/411943390.db2.gz XXRPMCBJHAJCCE-ZETCQYMHSA-N 1 2 209.297 1.031 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)CC(C)C)[nH+]1 ZINC000382368149 411943393 /nfs/dbraw/zinc/94/33/93/411943393.db2.gz XXRPMCBJHAJCCE-ZETCQYMHSA-N 1 2 209.297 1.031 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnc(N)c2)C[C@@H](CO)O1 ZINC000330364668 411930844 /nfs/dbraw/zinc/93/08/44/411930844.db2.gz UHRQEUDBHZPARI-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@@H](CO)O1 ZINC000330364668 411930847 /nfs/dbraw/zinc/93/08/47/411930847.db2.gz UHRQEUDBHZPARI-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO Cc1nc(NCc2ccc(CO)cc2)nc(N)[nH+]1 ZINC000631324988 411943467 /nfs/dbraw/zinc/94/34/67/411943467.db2.gz VRMBARRAABACAM-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO Cc1nc(N)nc(NCc2ccc(CO)cc2)[nH+]1 ZINC000631324988 411943473 /nfs/dbraw/zinc/94/34/73/411943473.db2.gz VRMBARRAABACAM-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(N)=O ZINC000661987585 411935481 /nfs/dbraw/zinc/93/54/81/411935481.db2.gz SIKSDVDAULCQLU-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(N)=O ZINC000661987585 411935483 /nfs/dbraw/zinc/93/54/83/411935483.db2.gz SIKSDVDAULCQLU-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO Cc1nc(NCC[C@@H]2CC2(F)F)nc(N)[nH+]1 ZINC000631386599 411943684 /nfs/dbraw/zinc/94/36/84/411943684.db2.gz PLZGSAAUQHGJSA-ZCFIWIBFSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NCC[C@@H]2CC2(F)F)[nH+]1 ZINC000631386599 411943689 /nfs/dbraw/zinc/94/36/89/411943689.db2.gz PLZGSAAUQHGJSA-ZCFIWIBFSA-N 1 2 229.234 0.641 20 0 BCADLO Nc1cc(C[N@@H+]2CCn3ncnc3C2)ccn1 ZINC000330177525 411939523 /nfs/dbraw/zinc/93/95/23/411939523.db2.gz KUXUYYJURJTEEF-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Nc1cc(C[N@H+]2CCn3ncnc3C2)ccn1 ZINC000330177525 411939528 /nfs/dbraw/zinc/93/95/28/411939528.db2.gz KUXUYYJURJTEEF-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Cc1nc(N(C)CCc2ccncc2)nc(N)[nH+]1 ZINC000382184138 411939641 /nfs/dbraw/zinc/93/96/41/411939641.db2.gz VAOVPBBYMMJJBC-UHFFFAOYSA-N 1 2 244.302 0.836 20 0 BCADLO Cc1nc(N)nc(N(C)CCc2ccncc2)[nH+]1 ZINC000382184138 411939646 /nfs/dbraw/zinc/93/96/46/411939646.db2.gz VAOVPBBYMMJJBC-UHFFFAOYSA-N 1 2 244.302 0.836 20 0 BCADLO Cc1nc(N(C)CCCCCO)nc(N)[nH+]1 ZINC000631251929 411940408 /nfs/dbraw/zinc/94/04/08/411940408.db2.gz LAKMYBVIJORXPP-UHFFFAOYSA-N 1 2 225.296 0.361 20 0 BCADLO Cc1nc(N)nc(N(C)CCCCCO)[nH+]1 ZINC000631251929 411940411 /nfs/dbraw/zinc/94/04/11/411940411.db2.gz LAKMYBVIJORXPP-UHFFFAOYSA-N 1 2 225.296 0.361 20 0 BCADLO Nc1nc(N[C@@H]2COC[C@@H]2O)[nH+]c2ccccc12 ZINC000631433075 411940995 /nfs/dbraw/zinc/94/09/95/411940995.db2.gz LHDXPBCJVWAVAW-ZJUUUORDSA-N 1 2 246.270 0.384 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661765817 411874704 /nfs/dbraw/zinc/87/47/04/411874704.db2.gz QZLUFHYRTPSMPG-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661765817 411874707 /nfs/dbraw/zinc/87/47/07/411874707.db2.gz QZLUFHYRTPSMPG-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO CC[C@@H](C)C[C@@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631318896 411875186 /nfs/dbraw/zinc/87/51/86/411875186.db2.gz BZOWAPSJLXLOSG-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@@H](C)C[C@@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631318896 411875191 /nfs/dbraw/zinc/87/51/91/411875191.db2.gz BZOWAPSJLXLOSG-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO CC(C)c1nc(NCCc2nnc(N)o2)cc[nH+]1 ZINC000527130740 411882468 /nfs/dbraw/zinc/88/24/68/411882468.db2.gz ISXFVSWDXVQTGE-UHFFFAOYSA-N 1 2 248.290 0.642 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@@H](F)C2)nc(N)[nH+]1 ZINC000631196289 411964866 /nfs/dbraw/zinc/96/48/66/411964866.db2.gz JVCMPRLJNWLUQY-XPUUQOCRSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@@H](F)C2)[nH+]1 ZINC000631196289 411964869 /nfs/dbraw/zinc/96/48/69/411964869.db2.gz JVCMPRLJNWLUQY-XPUUQOCRSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@@H]2CCO)nc(N)[nH+]1 ZINC000631219410 411967223 /nfs/dbraw/zinc/96/72/23/411967223.db2.gz KRSRGAGGJQZAFK-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H]2CCO)[nH+]1 ZINC000631219410 411967231 /nfs/dbraw/zinc/96/72/31/411967231.db2.gz KRSRGAGGJQZAFK-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N[C@H]2CO[C@H](C)C2)nc(N)[nH+]1 ZINC000401429191 411967397 /nfs/dbraw/zinc/96/73/97/411967397.db2.gz FATWIGSVUMCDCB-IYSWYEEDSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CO[C@H](C)C2)[nH+]1 ZINC000401429191 411967402 /nfs/dbraw/zinc/96/74/02/411967402.db2.gz FATWIGSVUMCDCB-IYSWYEEDSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@@H](C)C2)nc(N)[nH+]1 ZINC000401429189 411968006 /nfs/dbraw/zinc/96/80/06/411968006.db2.gz FATWIGSVUMCDCB-FSPLSTOPSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC000401429189 411968011 /nfs/dbraw/zinc/96/80/11/411968011.db2.gz FATWIGSVUMCDCB-FSPLSTOPSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc(N)[nH+]1 ZINC000631126410 411968535 /nfs/dbraw/zinc/96/85/35/411968535.db2.gz KDWGLJVVVMMHOD-YIZRAAEISA-N 1 2 249.318 0.988 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[nH+]1 ZINC000631126410 411968537 /nfs/dbraw/zinc/96/85/37/411968537.db2.gz KDWGLJVVVMMHOD-YIZRAAEISA-N 1 2 249.318 0.988 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCC(=O)N2)[nH+]1 ZINC000664474474 411969563 /nfs/dbraw/zinc/96/95/63/411969563.db2.gz FSZBVAZUKDOYKY-QMMMGPOBSA-N 1 2 245.286 0.957 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC2(COC2)C1 ZINC000662074024 411974467 /nfs/dbraw/zinc/97/44/67/411974467.db2.gz ZWTLIEGDRTVNSQ-SECBINFHSA-N 1 2 249.318 0.791 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC2(COC2)C1 ZINC000662074024 411974471 /nfs/dbraw/zinc/97/44/71/411974471.db2.gz ZWTLIEGDRTVNSQ-SECBINFHSA-N 1 2 249.318 0.791 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC3(COC3)C2)[nH]1 ZINC000662074732 411976883 /nfs/dbraw/zinc/97/68/83/411976883.db2.gz PQQTVRADQXFESJ-UHFFFAOYSA-N 1 2 208.265 0.335 20 0 BCADLO Cc1nnc(C[N@H+]2CCC3(COC3)C2)[nH]1 ZINC000662074732 411976887 /nfs/dbraw/zinc/97/68/87/411976887.db2.gz PQQTVRADQXFESJ-UHFFFAOYSA-N 1 2 208.265 0.335 20 0 BCADLO Cc1ncc(C(=O)NC2C[NH+](C(C)C)C2)c(N)n1 ZINC000579208882 411983929 /nfs/dbraw/zinc/98/39/29/411983929.db2.gz YELMYHHQSLSQBR-UHFFFAOYSA-N 1 2 249.318 0.190 20 0 BCADLO Cc1nc(N)c(CNC(=O)/C=C/C2CC2)c[nH+]1 ZINC000493004199 411984889 /nfs/dbraw/zinc/98/48/89/411984889.db2.gz JQXVAFIICAAGNV-SNAWJCMRSA-N 1 2 232.287 0.950 20 0 BCADLO CC[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662095060 411984911 /nfs/dbraw/zinc/98/49/11/411984911.db2.gz FQNDJNGTFWRLGE-IUCAKERBSA-N 1 2 240.307 0.551 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2CC2(C)C)c[nH+]1 ZINC000552020311 411985972 /nfs/dbraw/zinc/98/59/72/411985972.db2.gz HNQSHQGDVAXVGS-SECBINFHSA-N 1 2 234.303 1.030 20 0 BCADLO Cc1nc(N)c(CNC(=O)C[C@H]2C[C@@H]2C)c[nH+]1 ZINC000582609686 411986398 /nfs/dbraw/zinc/98/63/98/411986398.db2.gz LCJSEYYMWDQFOS-IONNQARKSA-N 1 2 234.303 1.030 20 0 BCADLO Cc1nc(N)c(CNC(=O)C23CC(C2)C3)c[nH+]1 ZINC000627171177 411986517 /nfs/dbraw/zinc/98/65/17/411986517.db2.gz QIBAFHWVJGJUDU-UHFFFAOYSA-N 1 2 232.287 0.784 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662120324 411992042 /nfs/dbraw/zinc/99/20/42/411992042.db2.gz CCWVHEGZNPIGBR-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662120324 411992044 /nfs/dbraw/zinc/99/20/44/411992044.db2.gz CCWVHEGZNPIGBR-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCc2nccnc2C1 ZINC000662119917 411992333 /nfs/dbraw/zinc/99/23/33/411992333.db2.gz ZUCIQAJKVXYFRI-GFCCVEGCSA-N 1 2 235.287 0.175 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCc2nccnc2C1 ZINC000662119917 411992334 /nfs/dbraw/zinc/99/23/34/411992334.db2.gz ZUCIQAJKVXYFRI-GFCCVEGCSA-N 1 2 235.287 0.175 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3nccnc3C2)cn1 ZINC000662125601 411993044 /nfs/dbraw/zinc/99/30/44/411993044.db2.gz WSRPXSDDWWQQJZ-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1cc(C[N@H+]2CCc3nccnc3C2)cn1 ZINC000662125601 411993048 /nfs/dbraw/zinc/99/30/48/411993048.db2.gz WSRPXSDDWWQQJZ-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)C[C@]1(C)CO ZINC000662145047 412007172 /nfs/dbraw/zinc/00/71/72/412007172.db2.gz WALYYNKXXKKHRE-GXSJLCMTSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)C[C@]1(C)CO ZINC000662145047 412007174 /nfs/dbraw/zinc/00/71/74/412007174.db2.gz WALYYNKXXKKHRE-GXSJLCMTSA-N 1 2 224.308 0.298 20 0 BCADLO Cn1ncc2c1nc(N1CC3CC1(C)C3)[nH+]c2N ZINC000664692968 412010571 /nfs/dbraw/zinc/01/05/71/412010571.db2.gz FJNXEDAASYAUEJ-UHFFFAOYSA-N 1 2 244.302 0.934 20 0 BCADLO Cc1nc(N(C)[C@H](CO)CC(C)C)nc(N)[nH+]1 ZINC000631214318 411944235 /nfs/dbraw/zinc/94/42/35/411944235.db2.gz WKAOIDXZAVLCGY-VIFPVBQESA-N 1 2 239.323 0.605 20 0 BCADLO Cc1nc(N)nc(N(C)[C@H](CO)CC(C)C)[nH+]1 ZINC000631214318 411944238 /nfs/dbraw/zinc/94/42/38/411944238.db2.gz WKAOIDXZAVLCGY-VIFPVBQESA-N 1 2 239.323 0.605 20 0 BCADLO Cc1nc(NCCCOC(F)F)nc(N)[nH+]1 ZINC000398301208 411944899 /nfs/dbraw/zinc/94/48/99/411944899.db2.gz MPOLWWJGEFEYOW-UHFFFAOYSA-N 1 2 233.222 0.225 20 0 BCADLO Cc1nc(N)nc(NCCCOC(F)F)[nH+]1 ZINC000398301208 411944905 /nfs/dbraw/zinc/94/49/05/411944905.db2.gz MPOLWWJGEFEYOW-UHFFFAOYSA-N 1 2 233.222 0.225 20 0 BCADLO Cc1nc(N[C@H](C)C2CCC2)nc(N)[nH+]1 ZINC000379806650 411945893 /nfs/dbraw/zinc/94/58/93/411945893.db2.gz MOBANFIUUJDDOX-ZCFIWIBFSA-N 1 2 207.281 0.785 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C2CCC2)[nH+]1 ZINC000379806650 411945896 /nfs/dbraw/zinc/94/58/96/411945896.db2.gz MOBANFIUUJDDOX-ZCFIWIBFSA-N 1 2 207.281 0.785 20 0 BCADLO Cc1nc(N[C@H](C)COCC2CC2)nc(N)[nH+]1 ZINC000631330814 411946818 /nfs/dbraw/zinc/94/68/18/411946818.db2.gz IRLWVKMRKIBTQQ-SSDOTTSWSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)COCC2CC2)[nH+]1 ZINC000631330814 411946821 /nfs/dbraw/zinc/94/68/21/411946821.db2.gz IRLWVKMRKIBTQQ-SSDOTTSWSA-N 1 2 237.307 0.411 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3cnc(N)nc3C2)cn1 ZINC000623293994 411949620 /nfs/dbraw/zinc/94/96/20/411949620.db2.gz NXIPDTGXYCUGOP-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO Cn1cc(C[N@H+]2CCc3cnc(N)nc3C2)cn1 ZINC000623293994 411949626 /nfs/dbraw/zinc/94/96/26/411949626.db2.gz NXIPDTGXYCUGOP-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@]2(O)C[C@H]2C1 ZINC000664421216 411949634 /nfs/dbraw/zinc/94/96/34/411949634.db2.gz NQYBVTCUWKQVSU-WRWORJQWSA-N 1 2 236.275 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@]2(O)C[C@H]2C1 ZINC000664421216 411949638 /nfs/dbraw/zinc/94/96/38/411949638.db2.gz NQYBVTCUWKQVSU-WRWORJQWSA-N 1 2 236.275 0.029 20 0 BCADLO Cc1cc(N)nc(SC[C@@H]2COC(=O)N2)[nH+]1 ZINC000496136565 411956875 /nfs/dbraw/zinc/95/68/75/411956875.db2.gz HMAPKRDBLACEFD-LURJTMIESA-N 1 2 240.288 0.568 20 0 BCADLO Cc1cc(N)nc(SC[C@H]2CNC(=O)C2)[nH+]1 ZINC000400266019 411957927 /nfs/dbraw/zinc/95/79/27/411957927.db2.gz UYJLPJCLPUDZKY-SSDOTTSWSA-N 1 2 238.316 0.595 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCCOC1 ZINC000578143281 411958501 /nfs/dbraw/zinc/95/85/01/411958501.db2.gz IQLYBTBWOSOYPK-SSDOTTSWSA-N 1 2 248.290 0.536 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1C[C@@H](O)C1 ZINC000624667676 411958540 /nfs/dbraw/zinc/95/85/40/411958540.db2.gz ZFLKQPHRJAXNER-LJGSYFOKSA-N 1 2 248.290 0.128 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000664441663 411959555 /nfs/dbraw/zinc/95/95/55/411959555.db2.gz NDOZIECXLCCIAG-PSASIEDQSA-N 1 2 247.302 0.713 20 0 BCADLO Cc1nc(N2CCO[C@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000380307316 411959776 /nfs/dbraw/zinc/95/97/76/411959776.db2.gz QATOWBUPDTZKPQ-NKWVEPMBSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](C)[C@@H]2C)[nH+]1 ZINC000380307316 411959780 /nfs/dbraw/zinc/95/97/80/411959780.db2.gz QATOWBUPDTZKPQ-NKWVEPMBSA-N 1 2 223.280 0.376 20 0 BCADLO Nc1ccc(NC(=O)c2cn(C3CC3)nn2)c[nH+]1 ZINC000637827104 411960846 /nfs/dbraw/zinc/96/08/46/411960846.db2.gz BDKZSNXDPBXSBJ-UHFFFAOYSA-N 1 2 244.258 0.843 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000578549596 411961368 /nfs/dbraw/zinc/96/13/68/411961368.db2.gz SPDVXHRNHVVNAT-RNLVFQAGSA-N 1 2 244.302 1.156 20 0 BCADLO Nc1ccc(NC(=O)[C@]2(N)CC2(F)F)c[nH+]1 ZINC000632826417 411961537 /nfs/dbraw/zinc/96/15/37/411961537.db2.gz RHTZXOLCKMCODS-MRVPVSSYSA-N 1 2 228.202 0.339 20 0 BCADLO OCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231806 412031646 /nfs/dbraw/zinc/03/16/46/412031646.db2.gz SROSADYZGBCESS-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO OCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231806 412031648 /nfs/dbraw/zinc/03/16/48/412031648.db2.gz SROSADYZGBCESS-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245003 412040771 /nfs/dbraw/zinc/04/07/71/412040771.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 1 2 227.352 0.034 20 0 BCADLO C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245114 412040908 /nfs/dbraw/zinc/04/09/08/412040908.db2.gz KOEIUCSQBFPCBY-NEPJUHHUSA-N 1 2 239.363 0.191 20 0 BCADLO C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662245002 412041006 /nfs/dbraw/zinc/04/10/06/412041006.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 1 2 227.352 0.034 20 0 BCADLO C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662245001 412041416 /nfs/dbraw/zinc/04/14/16/412041416.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 1 2 227.352 0.034 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CC2=CCSC2)C1=O ZINC000662264838 412055413 /nfs/dbraw/zinc/05/54/13/412055413.db2.gz SIWPIWKTQUGNIR-SNVBAGLBSA-N 1 2 242.344 0.754 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CC2=CCSC2)C1=O ZINC000662264838 412055416 /nfs/dbraw/zinc/05/54/16/412055416.db2.gz SIWPIWKTQUGNIR-SNVBAGLBSA-N 1 2 242.344 0.754 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000330922339 171047643 /nfs/dbraw/zinc/04/76/43/171047643.db2.gz BFSAYWVSIRXWTB-NXEZZACHSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000330922339 171047644 /nfs/dbraw/zinc/04/76/44/171047644.db2.gz BFSAYWVSIRXWTB-NXEZZACHSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)C[C@H](C)O1 ZINC000111694566 171075866 /nfs/dbraw/zinc/07/58/66/171075866.db2.gz JTSYCTVPUSQBDP-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H](C)O1 ZINC000111694566 171075868 /nfs/dbraw/zinc/07/58/68/171075868.db2.gz JTSYCTVPUSQBDP-DTWKUNHWSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)C[C@]2(CCOC2)O1 ZINC000369169034 171077098 /nfs/dbraw/zinc/07/70/98/171077098.db2.gz XOHJAASDTTVCRB-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)C[C@]2(CCOC2)O1 ZINC000369169034 171077100 /nfs/dbraw/zinc/07/71/00/171077100.db2.gz XOHJAASDTTVCRB-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C[N@H+](CCO)C[C@@H](C)[S@@]1=O ZINC000306506471 171080393 /nfs/dbraw/zinc/08/03/93/171080393.db2.gz VQAGVJVEUJERDM-KKFJDGPESA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@@H+](CCO)C[C@@H](C)[S@@]1=O ZINC000306506471 171080396 /nfs/dbraw/zinc/08/03/96/171080396.db2.gz VQAGVJVEUJERDM-KKFJDGPESA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@H+](CCO)C[C@@H](C)[S@]1=O ZINC000306506476 171081307 /nfs/dbraw/zinc/08/13/07/171081307.db2.gz VQAGVJVEUJERDM-JRKPZEMJSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@@H+](CCO)C[C@@H](C)[S@]1=O ZINC000306506476 171081308 /nfs/dbraw/zinc/08/13/08/171081308.db2.gz VQAGVJVEUJERDM-JRKPZEMJSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000341021593 171094119 /nfs/dbraw/zinc/09/41/19/171094119.db2.gz XRRJBGFWKDYHJA-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000341021593 171094121 /nfs/dbraw/zinc/09/41/21/171094121.db2.gz XRRJBGFWKDYHJA-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000280630302 171136791 /nfs/dbraw/zinc/13/67/91/171136791.db2.gz SYNXSHHPSLZVMO-NXEZZACHSA-N 1 2 222.292 0.981 20 0 BCADLO CC[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284282846 171166626 /nfs/dbraw/zinc/16/66/26/171166626.db2.gz FMOZXRLWRNGPJG-ZWNMCFTASA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@@](C)([NH2+]Cc1cn(C(C)C)nn1)C(N)=O ZINC000336709346 171175701 /nfs/dbraw/zinc/17/57/01/171175701.db2.gz OFCXYXYZXXNGDC-LLVKDONJSA-N 1 2 239.323 0.603 20 0 BCADLO CC[C@@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000293252928 171175933 /nfs/dbraw/zinc/17/59/33/171175933.db2.gz RNPUFJMHCQTTFT-LLVKDONJSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@@](C)(O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000278975461 171180520 /nfs/dbraw/zinc/18/05/20/171180520.db2.gz XZTOYQAGUJYKPK-LLVKDONJSA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@@](C)(O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000278975461 171180524 /nfs/dbraw/zinc/18/05/24/171180524.db2.gz XZTOYQAGUJYKPK-LLVKDONJSA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000332724605 171215076 /nfs/dbraw/zinc/21/50/76/171215076.db2.gz SDTPSBVXWDMDAY-LLVKDONJSA-N 1 2 240.307 0.482 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000332724605 171215080 /nfs/dbraw/zinc/21/50/80/171215080.db2.gz SDTPSBVXWDMDAY-LLVKDONJSA-N 1 2 240.307 0.482 20 0 BCADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331296173 171240028 /nfs/dbraw/zinc/24/00/28/171240028.db2.gz NYJTXWAQZHJKKM-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331296173 171240030 /nfs/dbraw/zinc/24/00/30/171240030.db2.gz NYJTXWAQZHJKKM-BBBLOLIVSA-N 1 2 245.319 0.144 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372468481 171244281 /nfs/dbraw/zinc/24/42/81/171244281.db2.gz HTGAJZFXXASAKW-ZJUUUORDSA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372468481 171244283 /nfs/dbraw/zinc/24/42/83/171244283.db2.gz HTGAJZFXXASAKW-ZJUUUORDSA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372468478 171244519 /nfs/dbraw/zinc/24/45/19/171244519.db2.gz HTGAJZFXXASAKW-NXEZZACHSA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000372468478 171244521 /nfs/dbraw/zinc/24/45/21/171244521.db2.gz HTGAJZFXXASAKW-NXEZZACHSA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853580 171245146 /nfs/dbraw/zinc/24/51/46/171245146.db2.gz CRWJZRPGGNDENU-SECBINFHSA-N 1 2 208.265 0.032 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2n[nH]cc2C1 ZINC000118853580 171245148 /nfs/dbraw/zinc/24/51/48/171245148.db2.gz CRWJZRPGGNDENU-SECBINFHSA-N 1 2 208.265 0.032 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000113274047 171292718 /nfs/dbraw/zinc/29/27/18/171292718.db2.gz XEEPRCYUIPMEES-JTQLQIEISA-N 1 2 245.348 0.849 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340223813 171331664 /nfs/dbraw/zinc/33/16/64/171331664.db2.gz ZJTLBAVEGACHBI-IVZWLZJFSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340223813 171331666 /nfs/dbraw/zinc/33/16/66/171331666.db2.gz ZJTLBAVEGACHBI-IVZWLZJFSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000236983319 171332095 /nfs/dbraw/zinc/33/20/95/171332095.db2.gz YQEAXHSDODNJCT-DTWKUNHWSA-N 1 2 224.308 0.803 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287061105 171334720 /nfs/dbraw/zinc/33/47/20/171334720.db2.gz AUWMHUUSMAJUAV-IUCAKERBSA-N 1 2 239.323 0.208 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(F)cn1 ZINC000341980837 412140070 /nfs/dbraw/zinc/14/00/70/412140070.db2.gz CNPOTAXWXFFYCN-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1ccc(F)cn1 ZINC000341980837 412140075 /nfs/dbraw/zinc/14/00/75/412140075.db2.gz CNPOTAXWXFFYCN-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@](C)(C(F)F)O1 ZINC000662362087 412122782 /nfs/dbraw/zinc/12/27/82/412122782.db2.gz FLZRYOPQVJLCLE-FYBVGQRMSA-N 1 2 248.273 0.619 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@](C)(C(F)F)O1 ZINC000662362087 412122785 /nfs/dbraw/zinc/12/27/85/412122785.db2.gz FLZRYOPQVJLCLE-FYBVGQRMSA-N 1 2 248.273 0.619 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000134220810 412128639 /nfs/dbraw/zinc/12/86/39/412128639.db2.gz SKKVVBPOIBRCRK-VHSXEESVSA-N 1 2 240.328 0.870 20 0 BCADLO COCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372665 412129341 /nfs/dbraw/zinc/12/93/41/412129341.db2.gz VNUAXRXRIKNNRE-SECBINFHSA-N 1 2 209.236 0.989 20 0 BCADLO COCC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372665 412129344 /nfs/dbraw/zinc/12/93/44/412129344.db2.gz VNUAXRXRIKNNRE-SECBINFHSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)CCS1 ZINC000590944123 412133975 /nfs/dbraw/zinc/13/39/75/412133975.db2.gz JLYNAIMJMHYICK-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)CCS1 ZINC000590944123 412133981 /nfs/dbraw/zinc/13/39/81/412133981.db2.gz JLYNAIMJMHYICK-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cnccn1 ZINC000624619168 412254289 /nfs/dbraw/zinc/25/42/89/412254289.db2.gz XAFFSAKTHYKVDP-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cnccn1 ZINC000624619168 412254293 /nfs/dbraw/zinc/25/42/93/412254293.db2.gz XAFFSAKTHYKVDP-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1nnc(C(F)F)o1 ZINC000624621204 412256184 /nfs/dbraw/zinc/25/61/84/412256184.db2.gz WUJFLNZNGVZFDA-ZCFIWIBFSA-N 1 2 248.233 0.750 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1nnc(C(F)F)o1 ZINC000624621204 412256189 /nfs/dbraw/zinc/25/61/89/412256189.db2.gz WUJFLNZNGVZFDA-ZCFIWIBFSA-N 1 2 248.233 0.750 20 0 BCADLO CC(C)(Nc1cnccn1)c1[nH]cc[nH+]1 ZINC000641665053 412258291 /nfs/dbraw/zinc/25/82/91/412258291.db2.gz QECAUBKYELQYFT-UHFFFAOYSA-N 1 2 203.249 1.547 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1nc(C)[nH+]cc1C ZINC000569378671 412264931 /nfs/dbraw/zinc/26/49/31/412264931.db2.gz YKVGKKULNOABEI-MRVPVSSYSA-N 1 2 222.292 1.030 20 0 BCADLO NC(=O)CC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000420609462 412285668 /nfs/dbraw/zinc/28/56/68/412285668.db2.gz JUWCWKXVRJVLHG-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BCADLO O=C(C[N@@H+](CCO)C1CC1)Nc1ccon1 ZINC000613675025 412312064 /nfs/dbraw/zinc/31/20/64/412312064.db2.gz ZYKAHKOIDVVTBG-UHFFFAOYSA-N 1 2 225.248 0.070 20 0 BCADLO O=C(C[N@H+](CCO)C1CC1)Nc1ccon1 ZINC000613675025 412312066 /nfs/dbraw/zinc/31/20/66/412312066.db2.gz ZYKAHKOIDVVTBG-UHFFFAOYSA-N 1 2 225.248 0.070 20 0 BCADLO CC(C)c1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000379894247 412319555 /nfs/dbraw/zinc/31/95/55/412319555.db2.gz FVAJFMRHXFRBPN-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BCADLO CC(C)c1nc(NCCn2cncn2)cc[nH+]1 ZINC000346738785 412322482 /nfs/dbraw/zinc/32/24/82/412322482.db2.gz ILONOQBBKABTEE-UHFFFAOYSA-N 1 2 232.291 1.304 20 0 BCADLO CC(C)c1nnc(NC[C@H]2C[N@H+](C)CCO2)o1 ZINC000450283918 412322946 /nfs/dbraw/zinc/32/29/46/412322946.db2.gz BNSPKKDOYBHEHP-VIFPVBQESA-N 1 2 240.307 0.936 20 0 BCADLO CC(C)c1nnc(NC[C@H]2C[N@@H+](C)CCO2)o1 ZINC000450283918 412322948 /nfs/dbraw/zinc/32/29/48/412322948.db2.gz BNSPKKDOYBHEHP-VIFPVBQESA-N 1 2 240.307 0.936 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)Nc1ccon1 ZINC000350003908 412332310 /nfs/dbraw/zinc/33/23/10/412332310.db2.gz DKCGHNHAJWAIGQ-UHFFFAOYSA-N 1 2 247.258 1.303 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1cc(C)[nH+]cn1 ZINC000523695499 412334054 /nfs/dbraw/zinc/33/40/54/412334054.db2.gz OPYRJLNXMALHML-VIFPVBQESA-N 1 2 233.275 0.709 20 0 BCADLO CC[C@](C)(O)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000372464277 171700822 /nfs/dbraw/zinc/70/08/22/171700822.db2.gz PZFXRQUPRXFMIV-NSHDSACASA-N 1 2 224.308 0.563 20 0 BCADLO CC[C@](C)(O)C[N@H+]1CCn2nc(C)nc2C1 ZINC000372464277 171700823 /nfs/dbraw/zinc/70/08/23/171700823.db2.gz PZFXRQUPRXFMIV-NSHDSACASA-N 1 2 224.308 0.563 20 0 BCADLO CCCCc1cc(NC[C@@](C)(O)CO)nc[nH+]1 ZINC000631258314 412347567 /nfs/dbraw/zinc/34/75/67/412347567.db2.gz QBWYEWFYQUZBQW-GFCCVEGCSA-N 1 2 239.319 0.974 20 0 BCADLO CCCNC(=O)CNc1nc(C)[nH+]cc1C ZINC000570058948 412355497 /nfs/dbraw/zinc/35/54/97/412355497.db2.gz CZHKVEXASSBCMP-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BCADLO CCC[C@@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000647868350 412361272 /nfs/dbraw/zinc/36/12/72/412361272.db2.gz RGXWJSUEYBSHGX-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO CCC[C@@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000647868350 412361276 /nfs/dbraw/zinc/36/12/76/412361276.db2.gz RGXWJSUEYBSHGX-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO Cc1cc(NC(=O)Nc2cc[nH+]c(C)c2)nn1C ZINC000335316924 412364998 /nfs/dbraw/zinc/36/49/98/412364998.db2.gz VEEFOPNDVSFCPA-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BCADLO Nc1[nH+]cnc(NC[C@H]2C[C@@H](O)C2)c1Cl ZINC000624666541 412303858 /nfs/dbraw/zinc/30/38/58/412303858.db2.gz GUHXGTHVRLDVSE-IZLXSQMJSA-N 1 2 228.683 0.895 20 0 BCADLO Nc1nc[nH+]c(NC[C@H]2C[C@@H](O)C2)c1Cl ZINC000624666541 412303860 /nfs/dbraw/zinc/30/38/60/412303860.db2.gz GUHXGTHVRLDVSE-IZLXSQMJSA-N 1 2 228.683 0.895 20 0 BCADLO CNc1nc(N(C)[C@@H](C)CO)[nH+]c2ccccc21 ZINC000450407071 412304522 /nfs/dbraw/zinc/30/45/22/412304522.db2.gz RMPYXOWFGYMVSR-VIFPVBQESA-N 1 2 246.314 1.489 20 0 BCADLO CCN(C)C(=O)CNc1nc(C)[nH+]cc1C ZINC000574415247 412371969 /nfs/dbraw/zinc/37/19/69/412371969.db2.gz UXAFBQBVUUOVST-UHFFFAOYSA-N 1 2 222.292 0.984 20 0 BCADLO CCc1nc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000359251497 171946227 /nfs/dbraw/zinc/94/62/27/171946227.db2.gz MVAOIHMIWRBQIM-UHFFFAOYSA-N 1 2 235.247 0.296 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCCO)o1 ZINC000128482790 172049024 /nfs/dbraw/zinc/04/90/24/172049024.db2.gz WWQAPMGUWPRSHV-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCCO)o1 ZINC000128482790 172049025 /nfs/dbraw/zinc/04/90/25/172049025.db2.gz WWQAPMGUWPRSHV-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1nnc(C[N@@H+](CC)[C@H](C)CO)o1 ZINC000339625965 172047413 /nfs/dbraw/zinc/04/74/13/172047413.db2.gz DZDOVUICEFQCRR-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@H+](CC)[C@H](C)CO)o1 ZINC000339625965 172047415 /nfs/dbraw/zinc/04/74/15/172047415.db2.gz DZDOVUICEFQCRR-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000332680366 172050321 /nfs/dbraw/zinc/05/03/21/172050321.db2.gz JRDBCZUFULKVAG-DTWKUNHWSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000332680366 172050324 /nfs/dbraw/zinc/05/03/24/172050324.db2.gz JRDBCZUFULKVAG-DTWKUNHWSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1noc(C)c1C[N@H+](CC)CC(N)=O ZINC000276379185 172076248 /nfs/dbraw/zinc/07/62/48/172076248.db2.gz FYDIVTGGHYEBKG-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCc1noc(C)c1C[N@@H+](CC)CC(N)=O ZINC000276379185 172076250 /nfs/dbraw/zinc/07/62/50/172076250.db2.gz FYDIVTGGHYEBKG-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000114194435 172091344 /nfs/dbraw/zinc/09/13/44/172091344.db2.gz MLFQHUIMCRSRLO-YUMQZZPRSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000114194435 172091347 /nfs/dbraw/zinc/09/13/47/172091347.db2.gz MLFQHUIMCRSRLO-YUMQZZPRSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1ocnc1C(=O)NCCn1cc[nH+]c1 ZINC000265718678 172122748 /nfs/dbraw/zinc/12/27/48/172122748.db2.gz QTQNCYPHNNBJQQ-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)CCCO ZINC000330363734 172139185 /nfs/dbraw/zinc/13/91/85/172139185.db2.gz QZRZNWUEMUGSBY-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)CCCO ZINC000330363734 172139187 /nfs/dbraw/zinc/13/91/87/172139187.db2.gz QZRZNWUEMUGSBY-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCn1cc(C(=O)N(C)Cc2[nH+]ccn2C)cn1 ZINC000074687885 172150406 /nfs/dbraw/zinc/15/04/06/172150406.db2.gz JUKADQDKWQLEGT-UHFFFAOYSA-N 1 2 247.302 0.909 20 0 BCADLO CCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000072570813 172152832 /nfs/dbraw/zinc/15/28/32/172152832.db2.gz DXKIKVHUNWVTBH-UHFFFAOYSA-N 1 2 248.330 0.823 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000267187979 172155905 /nfs/dbraw/zinc/15/59/05/172155905.db2.gz JRNXGJDVNAHPSD-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc(CC[N@H+](C)CC(=O)OC)cn1 ZINC000284831458 172158443 /nfs/dbraw/zinc/15/84/43/172158443.db2.gz BIXMPJYLDIDACT-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CCn1cc(CC[N@@H+](C)CC(=O)OC)cn1 ZINC000284831458 172158447 /nfs/dbraw/zinc/15/84/47/172158447.db2.gz BIXMPJYLDIDACT-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CCn1cc(CC[N@@H+]2CCNC(=O)[C@H]2C)cn1 ZINC000276296320 172160115 /nfs/dbraw/zinc/16/01/15/172160115.db2.gz IXDQKNXFGPGQPN-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@H+]2CCNC(=O)[C@H]2C)cn1 ZINC000276296320 172160116 /nfs/dbraw/zinc/16/01/16/172160116.db2.gz IXDQKNXFGPGQPN-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000336686255 172163564 /nfs/dbraw/zinc/16/35/64/172163564.db2.gz VZOWOTPVEAJXOJ-JTQLQIEISA-N 1 2 222.292 0.223 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000336686255 172163566 /nfs/dbraw/zinc/16/35/66/172163566.db2.gz VZOWOTPVEAJXOJ-JTQLQIEISA-N 1 2 222.292 0.223 20 0 BCADLO CCn1ccnc(NCCn2cc[nH+]c2)c1=O ZINC000061764548 172212605 /nfs/dbraw/zinc/21/26/05/172212605.db2.gz AUVMFNOEJNMJAM-UHFFFAOYSA-N 1 2 233.275 0.572 20 0 BCADLO CCn1cc[nH+]c1CN(C)CC(=O)NC ZINC000330639293 172217308 /nfs/dbraw/zinc/21/73/08/172217308.db2.gz BUJZWPPUJNTDHR-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@@H]1COC[C@H]1O ZINC000330618273 172220697 /nfs/dbraw/zinc/22/06/97/172220697.db2.gz YFNNLHFWSRPNKD-NXEZZACHSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1cc[nH+]c1CN1CCNC(=O)C[C@H]1C ZINC000375830793 172220801 /nfs/dbraw/zinc/22/08/01/172220801.db2.gz PSTBKUQDFYCXLP-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000375830793 172220804 /nfs/dbraw/zinc/22/08/04/172220804.db2.gz PSTBKUQDFYCXLP-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000375830793 172220807 /nfs/dbraw/zinc/22/08/07/172220807.db2.gz PSTBKUQDFYCXLP-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000332707313 172221595 /nfs/dbraw/zinc/22/15/95/172221595.db2.gz OHUGEGPTWRXRAE-QWRGUYRKSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000332707313 172221598 /nfs/dbraw/zinc/22/15/98/172221598.db2.gz OHUGEGPTWRXRAE-QWRGUYRKSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccc[nH]c1=O ZINC000295888554 172221916 /nfs/dbraw/zinc/22/19/16/172221916.db2.gz ZAJCXJNSGIUESW-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO CCn1cc[nH+]c1CN1CCn2nc(C)nc2C1 ZINC000374053510 172222157 /nfs/dbraw/zinc/22/21/57/172222157.db2.gz KIIISYPNWYKLTR-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1cc[nH+]c1CN1CCN2C(=O)N=NC2C1 ZINC000329604957 172222555 /nfs/dbraw/zinc/22/25/55/172222555.db2.gz ZEDRJIMKBCAALS-UHFFFAOYSA-N 1 2 248.290 0.216 20 0 BCADLO CCn1ccnc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000336699683 172223081 /nfs/dbraw/zinc/22/30/81/172223081.db2.gz YMWKDPFUTSRPOL-GHMZBOCLSA-N 1 2 239.319 0.749 20 0 BCADLO CCn1ncc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000292569479 172252339 /nfs/dbraw/zinc/25/23/39/172252339.db2.gz CLZRRSOVMKHULF-UHFFFAOYSA-N 1 2 248.290 0.315 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355188809 172268641 /nfs/dbraw/zinc/26/86/41/172268641.db2.gz WJWSJAYOPUQJHI-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355188809 172268642 /nfs/dbraw/zinc/26/86/42/172268642.db2.gz WJWSJAYOPUQJHI-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000271156458 172269504 /nfs/dbraw/zinc/26/95/04/172269504.db2.gz BTSQWDVJCBFDFW-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1nccc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000271156458 172269505 /nfs/dbraw/zinc/26/95/05/172269505.db2.gz BTSQWDVJCBFDFW-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1nccc1NC(=O)NCCn1cc[nH+]c1 ZINC000339344964 172276120 /nfs/dbraw/zinc/27/61/20/172276120.db2.gz DDUPKCMRBUCHOG-UHFFFAOYSA-N 1 2 248.290 0.921 20 0 BCADLO CCn1ncnc1C[NH+]1CCC(OC)CC1 ZINC000362969338 172278350 /nfs/dbraw/zinc/27/83/50/172278350.db2.gz KYGUUKWLKVVWEA-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000088619457 172278780 /nfs/dbraw/zinc/27/87/80/172278780.db2.gz CWVWKAQKXKDEFD-SECBINFHSA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000088619457 172278782 /nfs/dbraw/zinc/27/87/82/172278782.db2.gz CWVWKAQKXKDEFD-SECBINFHSA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000331604914 172279459 /nfs/dbraw/zinc/27/94/59/172279459.db2.gz CCYOWGKZJACBOG-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000331604914 172279461 /nfs/dbraw/zinc/27/94/61/172279461.db2.gz CCYOWGKZJACBOG-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1CN1CCn2cc[nH+]c2C1 ZINC000331853042 172280658 /nfs/dbraw/zinc/28/06/58/172280658.db2.gz OWINGGDSVYVXNM-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CN(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000339095004 172306585 /nfs/dbraw/zinc/30/65/85/172306585.db2.gz CFXYHORYIMNSFS-UHFFFAOYSA-N 1 2 207.277 0.974 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000329573662 172306617 /nfs/dbraw/zinc/30/66/17/172306617.db2.gz VGEWRBLEITVIQF-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000329573662 172306621 /nfs/dbraw/zinc/30/66/21/172306621.db2.gz VGEWRBLEITVIQF-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000329573663 172306701 /nfs/dbraw/zinc/30/67/01/172306701.db2.gz VGEWRBLEITVIQF-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000329573663 172306703 /nfs/dbraw/zinc/30/67/03/172306703.db2.gz VGEWRBLEITVIQF-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO CN(C(=O)COCc1[nH]cc[nH+]1)C1CC1 ZINC000123877496 172311105 /nfs/dbraw/zinc/31/11/05/172311105.db2.gz NUGHEEDUAXMTPC-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO CN(C(=O)[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000088372122 172329323 /nfs/dbraw/zinc/32/93/23/172329323.db2.gz KDCUTLSIOHNLEJ-NSHDSACASA-N 1 2 238.262 0.777 20 0 BCADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC(O)C1 ZINC000336618905 172334610 /nfs/dbraw/zinc/33/46/10/172334610.db2.gz ZFBDHASJRFLDCX-WHXUTIOJSA-N 1 2 249.314 0.427 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339771152 172365201 /nfs/dbraw/zinc/36/52/01/172365201.db2.gz HHVSSCUGMXIYNE-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339771152 172365203 /nfs/dbraw/zinc/36/52/03/172365203.db2.gz HHVSSCUGMXIYNE-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000366358450 172366974 /nfs/dbraw/zinc/36/69/74/172366974.db2.gz RSMDDKRAQRLIFW-UHFFFAOYSA-N 1 2 219.288 0.528 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCc2ncccc2C1 ZINC000366358450 172366976 /nfs/dbraw/zinc/36/69/76/172366976.db2.gz RSMDDKRAQRLIFW-UHFFFAOYSA-N 1 2 219.288 0.528 20 0 BCADLO CN(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000082347964 172377367 /nfs/dbraw/zinc/37/73/67/172377367.db2.gz RRBCHGVRCOZYOD-UHFFFAOYSA-N 1 2 248.330 0.881 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccn(C)n1 ZINC000270795137 172383772 /nfs/dbraw/zinc/38/37/72/172383772.db2.gz MOZMERRVSWUXEQ-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC000270795137 172383774 /nfs/dbraw/zinc/38/37/74/172383774.db2.gz MOZMERRVSWUXEQ-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000122774316 172386062 /nfs/dbraw/zinc/38/60/62/172386062.db2.gz JGTXVPJVZFSIKM-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000122774316 172386065 /nfs/dbraw/zinc/38/60/65/172386065.db2.gz JGTXVPJVZFSIKM-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO C[N@H+](CCc1cccnc1)CCS(C)(=O)=O ZINC000172160764 172786403 /nfs/dbraw/zinc/78/64/03/172786403.db2.gz BDIWZJGYHBRBKY-UHFFFAOYSA-N 1 2 242.344 0.601 20 0 BCADLO C[N@@H+](CCc1cccnc1)CCS(C)(=O)=O ZINC000172160764 172786404 /nfs/dbraw/zinc/78/64/04/172786404.db2.gz BDIWZJGYHBRBKY-UHFFFAOYSA-N 1 2 242.344 0.601 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153922522 173025380 /nfs/dbraw/zinc/02/53/80/173025380.db2.gz AUFXOBHHTJZURB-LLVKDONJSA-N 1 2 245.286 0.991 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153922522 173025382 /nfs/dbraw/zinc/02/53/82/173025382.db2.gz AUFXOBHHTJZURB-LLVKDONJSA-N 1 2 245.286 0.991 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000276504661 173026627 /nfs/dbraw/zinc/02/66/27/173026627.db2.gz IDLFJLONASQTSH-ZCFIWIBFSA-N 1 2 212.278 0.571 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000276504661 173026629 /nfs/dbraw/zinc/02/66/29/173026629.db2.gz IDLFJLONASQTSH-ZCFIWIBFSA-N 1 2 212.278 0.571 20 0 BCADLO C[NH+]1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000049822435 173064394 /nfs/dbraw/zinc/06/43/94/173064394.db2.gz ZQWMUXDEMMRBBJ-UHFFFAOYSA-N 1 2 232.283 0.643 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc(N)n2)CC1 ZINC000051069170 173073736 /nfs/dbraw/zinc/07/37/36/173073736.db2.gz IEWZDLBRNQCMSG-UHFFFAOYSA-N 1 2 220.276 0.051 20 0 BCADLO Cn1ncc(C(=O)N2CC[NH+](C)CC2)c1C1CC1 ZINC000263970935 173073772 /nfs/dbraw/zinc/07/37/72/173073772.db2.gz XAEKZTPMRPPNIZ-UHFFFAOYSA-N 1 2 248.330 0.685 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000063445125 173073945 /nfs/dbraw/zinc/07/39/45/173073945.db2.gz FTOYGTKDDIXXKT-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000070247895 173074382 /nfs/dbraw/zinc/07/43/82/173074382.db2.gz NAQATKBOHBYJRJ-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCC2CC2)C1 ZINC000360211747 173074922 /nfs/dbraw/zinc/07/49/22/173074922.db2.gz GFHDREABDLKCPW-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCC2CC2)C1 ZINC000360211747 173074923 /nfs/dbraw/zinc/07/49/23/173074923.db2.gz GFHDREABDLKCPW-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2ccc(F)cn2)C1 ZINC000068806428 173076802 /nfs/dbraw/zinc/07/68/02/173076802.db2.gz ARCUGWWTIMZVNJ-LLVKDONJSA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2ccc(F)cn2)C1 ZINC000068806428 173076804 /nfs/dbraw/zinc/07/68/04/173076804.db2.gz ARCUGWWTIMZVNJ-LLVKDONJSA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CC1=O ZINC000372018232 173085025 /nfs/dbraw/zinc/08/50/25/173085025.db2.gz UWPPKAQOZJPXCM-LBPRGKRZSA-N 1 2 246.310 0.764 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CC1=O ZINC000372018232 173085027 /nfs/dbraw/zinc/08/50/27/173085027.db2.gz UWPPKAQOZJPXCM-LBPRGKRZSA-N 1 2 246.310 0.764 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CCC2CC2)CC1 ZINC000120292472 173092821 /nfs/dbraw/zinc/09/28/21/173092821.db2.gz ONPLMJOLDARTOQ-UHFFFAOYSA-N 1 2 232.349 0.364 20 0 BCADLO C[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000044116662 173094859 /nfs/dbraw/zinc/09/48/59/173094859.db2.gz NQPHDQYUMVRCGB-KBPBESRZSA-N 1 2 232.327 0.892 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000174373479 173100102 /nfs/dbraw/zinc/10/01/02/173100102.db2.gz VMLAJCFDHOBPBR-CYBMUJFWSA-N 1 2 246.310 0.906 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000174373479 173100104 /nfs/dbraw/zinc/10/01/04/173100104.db2.gz VMLAJCFDHOBPBR-CYBMUJFWSA-N 1 2 246.310 0.906 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2cncc(Cl)n2)C1 ZINC000082643949 173102690 /nfs/dbraw/zinc/10/26/90/173102690.db2.gz FMURLEZTQXRXTF-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2cncc(Cl)n2)C1 ZINC000082643949 173102693 /nfs/dbraw/zinc/10/26/93/173102693.db2.gz FMURLEZTQXRXTF-QMMMGPOBSA-N 1 2 242.710 0.873 20 0 BCADLO Cn1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000268577927 173103388 /nfs/dbraw/zinc/10/33/88/173103388.db2.gz DDOCLUUHTCLTJY-NSHDSACASA-N 1 2 237.303 0.086 20 0 BCADLO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000268577927 173103390 /nfs/dbraw/zinc/10/33/90/173103390.db2.gz DDOCLUUHTCLTJY-NSHDSACASA-N 1 2 237.303 0.086 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000124385965 173103885 /nfs/dbraw/zinc/10/38/85/173103885.db2.gz DHYSAXFBVHIGMY-WDEREUQCSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000124385965 173103886 /nfs/dbraw/zinc/10/38/86/173103886.db2.gz DHYSAXFBVHIGMY-WDEREUQCSA-N 1 2 235.287 0.170 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000336617918 173119038 /nfs/dbraw/zinc/11/90/38/173119038.db2.gz HFFQFBHMWVBNDA-SNVBAGLBSA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000336617918 173119039 /nfs/dbraw/zinc/11/90/39/173119039.db2.gz HFFQFBHMWVBNDA-SNVBAGLBSA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccno2)C1=O ZINC000265625049 173119692 /nfs/dbraw/zinc/11/96/92/173119692.db2.gz CONIQLDAOWWMOB-SECBINFHSA-N 1 2 209.249 0.337 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccno2)C1=O ZINC000265625049 173119694 /nfs/dbraw/zinc/11/96/94/173119694.db2.gz CONIQLDAOWWMOB-SECBINFHSA-N 1 2 209.249 0.337 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000116270108 173120525 /nfs/dbraw/zinc/12/05/25/173120525.db2.gz IJSAGRYQVRNMEN-SNVBAGLBSA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000116270108 173120529 /nfs/dbraw/zinc/12/05/29/173120529.db2.gz IJSAGRYQVRNMEN-SNVBAGLBSA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cc[nH]n2)C1=O ZINC000265348750 173148657 /nfs/dbraw/zinc/14/86/57/173148657.db2.gz JSVDYFHUMVGNDK-VIFPVBQESA-N 1 2 208.265 0.072 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cc[nH]n2)C1=O ZINC000265348750 173148659 /nfs/dbraw/zinc/14/86/59/173148659.db2.gz JSVDYFHUMVGNDK-VIFPVBQESA-N 1 2 208.265 0.072 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccno2)C1=O ZINC000265625051 173148996 /nfs/dbraw/zinc/14/89/96/173148996.db2.gz CONIQLDAOWWMOB-VIFPVBQESA-N 1 2 209.249 0.337 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccno2)C1=O ZINC000265625051 173148998 /nfs/dbraw/zinc/14/89/98/173148998.db2.gz CONIQLDAOWWMOB-VIFPVBQESA-N 1 2 209.249 0.337 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CCN(C)C1=O ZINC000336690636 173149275 /nfs/dbraw/zinc/14/92/75/173149275.db2.gz BEWYNUSZUIRJMH-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000336386658 173150612 /nfs/dbraw/zinc/15/06/12/173150612.db2.gz PTEAUDOAILAOAN-ONGXEEELSA-N 1 2 230.283 0.014 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000336386658 173150614 /nfs/dbraw/zinc/15/06/14/173150614.db2.gz PTEAUDOAILAOAN-ONGXEEELSA-N 1 2 230.283 0.014 20 0 BCADLO CN1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1=O ZINC000217496919 173156416 /nfs/dbraw/zinc/15/64/16/173156416.db2.gz HZVVTPIWVZUWFY-QMMMGPOBSA-N 1 2 246.274 0.006 20 0 BCADLO C[N@@H+]1CCc2ncnc(NC[C@H]3CCOC3)c2C1 ZINC000299642161 173173659 /nfs/dbraw/zinc/17/36/59/173173659.db2.gz VXYVZOOXJUGHAC-SNVBAGLBSA-N 1 2 248.330 0.913 20 0 BCADLO C[N@H+]1CCc2ncnc(NC[C@H]3CCOC3)c2C1 ZINC000299642161 173173660 /nfs/dbraw/zinc/17/36/60/173173660.db2.gz VXYVZOOXJUGHAC-SNVBAGLBSA-N 1 2 248.330 0.913 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC(C)(O)C3)c2C1 ZINC000276304326 173173927 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249.314 0.930 20 0 BCADLO COc1ccc(C[NH2+]Cc2cn(C)nn2)cc1O ZINC000343980801 175108303 /nfs/dbraw/zinc/10/83/03/175108303.db2.gz HUHKVROAGNGLAD-UHFFFAOYSA-N 1 2 248.286 0.819 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn(C)n2)cc1O ZINC000290055414 175108823 /nfs/dbraw/zinc/10/88/23/175108823.db2.gz GUNSPHRWPUUIAX-UHFFFAOYSA-N 1 2 248.286 0.819 20 0 BCADLO COc1cccc(C[NH+]2CCN(C(C)=O)CC2)n1 ZINC000172006886 175259121 /nfs/dbraw/zinc/25/91/21/175259121.db2.gz CTYBTAPAELXMFO-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000168594895 175327776 /nfs/dbraw/zinc/32/77/76/175327776.db2.gz NICTZCQGIZDOGF-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COc1ccccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000168594895 175327778 /nfs/dbraw/zinc/32/77/78/175327778.db2.gz NICTZCQGIZDOGF-GFCCVEGCSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cc[nH+]c(CN2CCS(=O)CC2)c1 ZINC000111223004 175358442 /nfs/dbraw/zinc/35/84/42/175358442.db2.gz CZRNCXFZVKSTBI-UHFFFAOYSA-N 1 2 240.328 0.655 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C(F)F ZINC000294734786 175369636 /nfs/dbraw/zinc/36/96/36/175369636.db2.gz XQMKDCQZOVIFNF-UHFFFAOYSA-N 1 2 216.187 0.972 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C(C)(C)O ZINC000294690739 175370587 /nfs/dbraw/zinc/37/05/87/175370587.db2.gz UMLFYAPOIQHAFR-UHFFFAOYSA-N 1 2 224.260 0.477 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)N(C)C ZINC000292938322 175370692 /nfs/dbraw/zinc/37/06/92/175370692.db2.gz IIQYFSJWDVOWSN-UHFFFAOYSA-N 1 2 209.249 0.861 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)OC ZINC000294628258 175371629 /nfs/dbraw/zinc/37/16/29/175371629.db2.gz PEWLJLQTKGHIDR-MRVPVSSYSA-N 1 2 224.260 0.741 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(CCO)cn1 ZINC000288703974 175372790 /nfs/dbraw/zinc/37/27/90/175372790.db2.gz UTWWCBUKKMNICW-UHFFFAOYSA-N 1 2 233.271 0.870 20 0 BCADLO COc1cncc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000359635230 175383207 /nfs/dbraw/zinc/38/32/07/175383207.db2.gz NISNDUDCXNVJHL-UHFFFAOYSA-N 1 2 244.254 0.863 20 0 BCADLO COc1cncc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000359567791 175383542 /nfs/dbraw/zinc/38/35/42/175383542.db2.gz VOMSRDAODIDRBT-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO COc1cncc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000290278911 175385078 /nfs/dbraw/zinc/38/50/78/175385078.db2.gz MARZQACBJGCRDC-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cncc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000290278911 175385079 /nfs/dbraw/zinc/38/50/79/175385079.db2.gz MARZQACBJGCRDC-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO CS[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000336237189 175569810 /nfs/dbraw/zinc/56/98/10/175569810.db2.gz QQFRXFUIEJCPHD-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO CS[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000336237189 175569811 /nfs/dbraw/zinc/56/98/11/175569811.db2.gz QQFRXFUIEJCPHD-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccno1 ZINC000265001062 176011800 /nfs/dbraw/zinc/01/18/00/176011800.db2.gz VIERKSSRVOXSRN-IUCAKERBSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccno1 ZINC000265001062 176011801 /nfs/dbraw/zinc/01/18/01/176011801.db2.gz VIERKSSRVOXSRN-IUCAKERBSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338589173 176036563 /nfs/dbraw/zinc/03/65/63/176036563.db2.gz QHODYFOBGRDQBW-ONGXEEELSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338589173 176036564 /nfs/dbraw/zinc/03/65/64/176036564.db2.gz QHODYFOBGRDQBW-ONGXEEELSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341294267 176037206 /nfs/dbraw/zinc/03/72/06/176037206.db2.gz KAWJYLPMVVMIIZ-WDEREUQCSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341294267 176037208 /nfs/dbraw/zinc/03/72/08/176037208.db2.gz KAWJYLPMVVMIIZ-WDEREUQCSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCO ZINC000270672248 176040140 /nfs/dbraw/zinc/04/01/40/176040140.db2.gz ANBUZPUKFZJSHU-JTQLQIEISA-N 1 2 247.302 0.647 20 0 BCADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCO ZINC000270672248 176040143 /nfs/dbraw/zinc/04/01/43/176040143.db2.gz ANBUZPUKFZJSHU-JTQLQIEISA-N 1 2 247.302 0.647 20 0 BCADLO C[C@@H](c1nnnn1C)N(C)CCCn1cc[nH+]c1 ZINC000189785053 176041080 /nfs/dbraw/zinc/04/10/80/176041080.db2.gz JTZZNJQTMBJVRM-JTQLQIEISA-N 1 2 249.322 0.490 20 0 BCADLO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(F)cn1 ZINC000336453563 176045567 /nfs/dbraw/zinc/04/55/67/176045567.db2.gz WQIQIOSKTGDFQG-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000336453563 176045569 /nfs/dbraw/zinc/04/55/69/176045569.db2.gz WQIQIOSKTGDFQG-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000111216858 176046847 /nfs/dbraw/zinc/04/68/47/176046847.db2.gz WJSIDNCQCDYABH-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000111216858 176046849 /nfs/dbraw/zinc/04/68/49/176046849.db2.gz WJSIDNCQCDYABH-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1n[nH]c(=O)[nH]1 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C[C@@H]1CCO[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378109425 176191123 /nfs/dbraw/zinc/19/11/23/176191123.db2.gz IYDZGWJHADPRFQ-KOLCDFICSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000131607344 176195406 /nfs/dbraw/zinc/19/54/06/176195406.db2.gz BKOROAGRHCXTOC-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811165 176206962 /nfs/dbraw/zinc/20/69/62/176206962.db2.gz CPVRCRQREFKYCS-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811165 176206963 /nfs/dbraw/zinc/20/69/63/176206963.db2.gz CPVRCRQREFKYCS-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)O1 ZINC000245962719 176220544 /nfs/dbraw/zinc/22/05/44/176220544.db2.gz DBLRDODMJLUAQB-OUAUKWLOSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)O1 ZINC000245962719 176220545 /nfs/dbraw/zinc/22/05/45/176220545.db2.gz DBLRDODMJLUAQB-OUAUKWLOSA-N 1 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RWZFHZPMPKQUCG-SECBINFHSA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1C[N@H+](CCSc2n[nH]c(=O)[nH]2)CCO1 ZINC000331315777 176292548 /nfs/dbraw/zinc/29/25/48/176292548.db2.gz FEKYZPFUVCWMJM-SSDOTTSWSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@@H]1C[N@@H+](CCSc2n[nH]c(=O)[nH]2)CCO1 ZINC000331315777 176292549 /nfs/dbraw/zinc/29/25/49/176292549.db2.gz FEKYZPFUVCWMJM-SSDOTTSWSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cccn2)CC(=O)N1C ZINC000282017394 176295952 /nfs/dbraw/zinc/29/59/52/176295952.db2.gz DVVGDSHRPWSPAX-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cccn2)CC(=O)N1C ZINC000282017394 176295953 /nfs/dbraw/zinc/29/59/53/176295953.db2.gz DVVGDSHRPWSPAX-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cscn2)CC(=O)N1C ZINC000295321343 176296252 /nfs/dbraw/zinc/29/62/52/176296252.db2.gz LTCTXWZVYPXWLO-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cscn2)CC(=O)N1C ZINC000295321343 176296254 /nfs/dbraw/zinc/29/62/54/176296254.db2.gz LTCTXWZVYPXWLO-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)S1(=O)=O ZINC000289508039 176301588 /nfs/dbraw/zinc/30/15/88/176301588.db2.gz LNPRCBVQKCSHAK-RKDXNWHRSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)S1(=O)=O ZINC000289508039 176301590 /nfs/dbraw/zinc/30/15/90/176301590.db2.gz LNPRCBVQKCSHAK-RKDXNWHRSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC(=O)N1C ZINC000282233905 176308755 /nfs/dbraw/zinc/30/87/55/176308755.db2.gz POPXHXHURLYJEO-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC(=O)N1C ZINC000282233905 176308757 /nfs/dbraw/zinc/30/87/57/176308757.db2.gz POPXHXHURLYJEO-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H](C(N)=O)O1 ZINC000132098288 176309862 /nfs/dbraw/zinc/30/98/62/176309862.db2.gz RCJKBIQECLTVSJ-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H](C(N)=O)O1 ZINC000132098288 176309863 /nfs/dbraw/zinc/30/98/63/176309863.db2.gz RCJKBIQECLTVSJ-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@@H](C(N)=O)O1 ZINC000092005971 176310353 /nfs/dbraw/zinc/31/03/53/176310353.db2.gz RMOBNKFXWCTYQG-APPZFPTMSA-N 1 2 241.316 0.218 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H](C(N)=O)O1 ZINC000092005971 176310354 /nfs/dbraw/zinc/31/03/54/176310354.db2.gz RMOBNKFXWCTYQG-APPZFPTMSA-N 1 2 241.316 0.218 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)CC[C@H]1O ZINC000306193818 176310653 /nfs/dbraw/zinc/31/06/53/176310653.db2.gz UZSWSQNULUEESN-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)CC[C@H]1O ZINC000306193818 176310654 /nfs/dbraw/zinc/31/06/54/176310654.db2.gz UZSWSQNULUEESN-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@@H]1CO ZINC000361660477 176310879 /nfs/dbraw/zinc/31/08/79/176310879.db2.gz KQEDJRGTBAZYTF-HTQZYQBOSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@@H]1CO ZINC000361660477 176310880 /nfs/dbraw/zinc/31/08/80/176310880.db2.gz KQEDJRGTBAZYTF-HTQZYQBOSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@H]1[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000332602757 176311431 /nfs/dbraw/zinc/31/14/31/176311431.db2.gz BCZHAAPAZFSDNQ-BWZBUEFSSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@H]1[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000332602757 176311432 /nfs/dbraw/zinc/31/14/32/176311432.db2.gz BCZHAAPAZFSDNQ-BWZBUEFSSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CCS1(=O)=O ZINC000328682007 176312208 /nfs/dbraw/zinc/31/22/08/176312208.db2.gz VKFHDQRUUWUFEE-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000351927487 176312232 /nfs/dbraw/zinc/31/22/32/176312232.db2.gz OBPPVGDGCLRNOF-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000351927487 176312233 /nfs/dbraw/zinc/31/22/33/176312233.db2.gz OBPPVGDGCLRNOF-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000280120380 176312737 /nfs/dbraw/zinc/31/27/37/176312737.db2.gz BOSZOKUXICLBQP-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000329260579 176312750 /nfs/dbraw/zinc/31/27/50/176312750.db2.gz DTFIDEZTLHVITR-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000329260579 176312751 /nfs/dbraw/zinc/31/27/51/176312751.db2.gz DTFIDEZTLHVITR-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1O ZINC000341281232 176313586 /nfs/dbraw/zinc/31/35/86/176313586.db2.gz LZBZVHZWNJZHSL-BDAKNGLRSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1O ZINC000341281232 176313587 /nfs/dbraw/zinc/31/35/87/176313587.db2.gz LZBZVHZWNJZHSL-BDAKNGLRSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCC1=O ZINC000125090955 176315327 /nfs/dbraw/zinc/31/53/27/176315327.db2.gz PIPXCNFIDOASPB-RKDXNWHRSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCC1=O ZINC000125090955 176315328 /nfs/dbraw/zinc/31/53/28/176315328.db2.gz PIPXCNFIDOASPB-RKDXNWHRSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000247960701 176316686 /nfs/dbraw/zinc/31/66/86/176316686.db2.gz FEJCFZLDBHUUNL-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000247960701 176316687 /nfs/dbraw/zinc/31/66/87/176316687.db2.gz FEJCFZLDBHUUNL-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000308867431 176321873 /nfs/dbraw/zinc/32/18/73/176321873.db2.gz XLFGOLPUVIAWII-PHDIDXHHSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000308867431 176321876 /nfs/dbraw/zinc/32/18/76/176321876.db2.gz XLFGOLPUVIAWII-PHDIDXHHSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@@H]1COCCN1CC[N@@H+]1CCOCC12CC2 ZINC000338593526 176335306 /nfs/dbraw/zinc/33/53/06/176335306.db2.gz SDDUWHIREOVOJB-GFCCVEGCSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@@H]1COCCN1CC[N@H+]1CCOCC12CC2 ZINC000338593526 176335307 /nfs/dbraw/zinc/33/53/07/176335307.db2.gz SDDUWHIREOVOJB-GFCCVEGCSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc[nH]1 ZINC000330619603 176335645 /nfs/dbraw/zinc/33/56/45/176335645.db2.gz IOHXZBUWQBIQKL-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc[nH]1 ZINC000330619603 176335648 /nfs/dbraw/zinc/33/56/48/176335648.db2.gz IOHXZBUWQBIQKL-SNVBAGLBSA-N 1 2 237.303 0.465 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000271083932 176337393 /nfs/dbraw/zinc/33/73/93/176337393.db2.gz AWXGWQUKIZDJSU-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000271083932 176337394 /nfs/dbraw/zinc/33/73/94/176337394.db2.gz AWXGWQUKIZDJSU-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1CSC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000336554461 176351205 /nfs/dbraw/zinc/35/12/05/176351205.db2.gz VNGDCZKRCSVHQI-BDAKNGLRSA-N 1 2 225.317 0.751 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CO1 ZINC000358162080 176357627 /nfs/dbraw/zinc/35/76/27/176357627.db2.gz LHEFVOKEENJENU-NXEZZACHSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000340934583 176381219 /nfs/dbraw/zinc/38/12/19/176381219.db2.gz WDFQKUSGRJBVEW-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(F)(F)F ZINC000340934583 176381221 /nfs/dbraw/zinc/38/12/21/176381221.db2.gz WDFQKUSGRJBVEW-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc2n1CCCC2 ZINC000331534213 176383076 /nfs/dbraw/zinc/38/30/76/176383076.db2.gz GLIAMLBVHJJLFD-NXEZZACHSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc2n1CCCC2 ZINC000331534213 176383077 /nfs/dbraw/zinc/38/30/77/176383077.db2.gz GLIAMLBVHJJLFD-NXEZZACHSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000157118431 177002029 /nfs/dbraw/zinc/00/20/29/177002029.db2.gz WTXDTYOSRKLRKX-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC000157118431 177002031 /nfs/dbraw/zinc/00/20/31/177002031.db2.gz WTXDTYOSRKLRKX-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccno1 ZINC000274306966 177002583 /nfs/dbraw/zinc/00/25/83/177002583.db2.gz LDFYPKMYTAJWNC-UWVGGRQHSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccno1 ZINC000274306966 177002584 /nfs/dbraw/zinc/00/25/84/177002584.db2.gz LDFYPKMYTAJWNC-UWVGGRQHSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894623 177008298 /nfs/dbraw/zinc/00/82/98/177008298.db2.gz FBMWTXCNTIYSAI-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894623 177008300 /nfs/dbraw/zinc/00/83/00/177008300.db2.gz FBMWTXCNTIYSAI-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](c1cccnc1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330828568 177045659 /nfs/dbraw/zinc/04/56/59/177045659.db2.gz JIKIBNYNAKLILZ-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330828568 177045662 /nfs/dbraw/zinc/04/56/62/177045662.db2.gz JIKIBNYNAKLILZ-SECBINFHSA-N 1 2 247.302 0.696 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000184607221 177051013 /nfs/dbraw/zinc/05/10/13/177051013.db2.gz KXYZGULRMFCZHA-NXEZZACHSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000184607221 177051016 /nfs/dbraw/zinc/05/10/16/177051016.db2.gz KXYZGULRMFCZHA-NXEZZACHSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCc1ccccn1 ZINC000189769125 177055834 /nfs/dbraw/zinc/05/58/34/177055834.db2.gz WBRSHMWKHKSRLP-SNVBAGLBSA-N 1 2 246.318 0.841 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCc1ccccn1 ZINC000189769125 177055835 /nfs/dbraw/zinc/05/58/35/177055835.db2.gz WBRSHMWKHKSRLP-SNVBAGLBSA-N 1 2 246.318 0.841 20 0 BCADLO C[C@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)[C@@H]1C ZINC000267813550 177057495 /nfs/dbraw/zinc/05/74/95/177057495.db2.gz UQEASDNFEPIBGM-HTQZYQBOSA-N 1 2 221.260 0.561 20 0 BCADLO C[C@H]1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1C ZINC000329622909 177057825 /nfs/dbraw/zinc/05/78/25/177057825.db2.gz RYIJRQFFFCLMJY-YUMQZZPRSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@H]1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1C ZINC000329622909 177057827 /nfs/dbraw/zinc/05/78/27/177057827.db2.gz RYIJRQFFFCLMJY-YUMQZZPRSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000111216860 177059731 /nfs/dbraw/zinc/05/97/31/177059731.db2.gz WJSIDNCQCDYABH-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000111216860 177059732 /nfs/dbraw/zinc/05/97/32/177059732.db2.gz WJSIDNCQCDYABH-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860150 177120553 /nfs/dbraw/zinc/12/05/53/177120553.db2.gz MEEVLZRTNSGBRH-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860150 177120555 /nfs/dbraw/zinc/12/05/55/177120555.db2.gz MEEVLZRTNSGBRH-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1CO ZINC000331075638 177147397 /nfs/dbraw/zinc/14/73/97/177147397.db2.gz UZPKCVOVEGBWRT-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1CO ZINC000331075638 177147401 /nfs/dbraw/zinc/14/74/01/177147401.db2.gz UZPKCVOVEGBWRT-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CC[N@H+](CCn2cccn2)CC[S@@]1=O ZINC000277063722 177161587 /nfs/dbraw/zinc/16/15/87/177161587.db2.gz DIKXQQSZCHFNEJ-ZBEGNZNMSA-N 1 2 241.360 0.726 20 0 BCADLO C[C@H]1CC[N@@H+](CCn2cccn2)CC[S@@]1=O ZINC000277063722 177161588 /nfs/dbraw/zinc/16/15/88/177161588.db2.gz DIKXQQSZCHFNEJ-ZBEGNZNMSA-N 1 2 241.360 0.726 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]c[nH]2)CC[S@]1=O ZINC000361322851 177167646 /nfs/dbraw/zinc/16/76/46/177167646.db2.gz AJPQJKDVVPJATA-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CCN(Cc2c[nH]c[nH+]2)CC[S@]1=O ZINC000361322851 177167647 /nfs/dbraw/zinc/16/76/47/177167647.db2.gz AJPQJKDVVPJATA-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000369193648 177177137 /nfs/dbraw/zinc/17/71/37/177177137.db2.gz LZFKAMYDMGTCHC-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000369193648 177177138 /nfs/dbraw/zinc/17/71/38/177177138.db2.gz LZFKAMYDMGTCHC-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000329460160 177215712 /nfs/dbraw/zinc/21/57/12/177215712.db2.gz RXPBUMZKZQSNSZ-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000041363411 177241989 /nfs/dbraw/zinc/24/19/89/177241989.db2.gz XECDFTZTEJIBPN-DTORHVGOSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000041363411 177241991 /nfs/dbraw/zinc/24/19/91/177241991.db2.gz XECDFTZTEJIBPN-DTORHVGOSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000042242350 177244278 /nfs/dbraw/zinc/24/42/78/177244278.db2.gz WVLUFPGBLLDHHE-AOOOYVTPSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000042242350 177244279 /nfs/dbraw/zinc/24/42/79/177244279.db2.gz WVLUFPGBLLDHHE-AOOOYVTPSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000337210018 177251884 /nfs/dbraw/zinc/25/18/84/177251884.db2.gz BTWBZVONOSZINA-RWMBFGLXSA-N 1 2 240.347 0.570 20 0 BCADLO C[C@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000337210018 177251886 /nfs/dbraw/zinc/25/18/86/177251886.db2.gz BTWBZVONOSZINA-RWMBFGLXSA-N 1 2 240.347 0.570 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CC2)CC(=O)N1C ZINC000337477481 177252221 /nfs/dbraw/zinc/25/22/21/177252221.db2.gz ZHAZKUXYFLXVNG-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CC2)CC(=O)N1C ZINC000337477481 177252222 /nfs/dbraw/zinc/25/22/22/177252222.db2.gz ZHAZKUXYFLXVNG-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)C[C@H](C)S1=O ZINC000336486655 177255996 /nfs/dbraw/zinc/25/59/96/177255996.db2.gz PUAQZIJWMQISOX-QWRGUYRKSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@H]1C[NH+](CCn2ccnc2)C[C@H](C)S1=O ZINC000336486655 177255997 /nfs/dbraw/zinc/25/59/97/177255997.db2.gz PUAQZIJWMQISOX-QWRGUYRKSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC(=O)N1 ZINC000295147034 177261934 /nfs/dbraw/zinc/26/19/34/177261934.db2.gz AMUNHQTXCOGNLV-JTQLQIEISA-N 1 2 234.299 0.499 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC(=O)N1 ZINC000295147034 177261936 /nfs/dbraw/zinc/26/19/36/177261936.db2.gz AMUNHQTXCOGNLV-JTQLQIEISA-N 1 2 234.299 0.499 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000052709891 177267879 /nfs/dbraw/zinc/26/78/79/177267879.db2.gz HMOSHCLHTXDZSY-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000052709891 177267880 /nfs/dbraw/zinc/26/78/80/177267880.db2.gz HMOSHCLHTXDZSY-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC(=O)N1C ZINC000282233910 177268494 /nfs/dbraw/zinc/26/84/94/177268494.db2.gz POPXHXHURLYJEO-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC(=O)N1C ZINC000282233910 177268495 /nfs/dbraw/zinc/26/84/95/177268495.db2.gz POPXHXHURLYJEO-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC[S@]1=O ZINC000353829857 177269928 /nfs/dbraw/zinc/26/99/28/177269928.db2.gz SYCWQOYUPQHRFW-BJOHPYRUSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)[S@@]1=O ZINC000336627980 177269990 /nfs/dbraw/zinc/26/99/90/177269990.db2.gz YACJEWJAMFVUER-IEVQFXQGSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)[S@@]1=O ZINC000336627980 177269991 /nfs/dbraw/zinc/26/99/91/177269991.db2.gz YACJEWJAMFVUER-IEVQFXQGSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CCC1=O ZINC000229509656 177270011 /nfs/dbraw/zinc/27/00/11/177270011.db2.gz JZFDBWINZZEDQF-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1C ZINC000292913903 177270594 /nfs/dbraw/zinc/27/05/94/177270594.db2.gz FONUQPHOEQFGRX-YUMQZZPRSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1C ZINC000292913903 177270596 /nfs/dbraw/zinc/27/05/96/177270596.db2.gz FONUQPHOEQFGRX-YUMQZZPRSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@]2(CCOC2)O1 ZINC000280120358 177271471 /nfs/dbraw/zinc/27/14/71/177271471.db2.gz BOSZOKUXICLBQP-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CCS1(=O)=O ZINC000353908755 177271789 /nfs/dbraw/zinc/27/17/89/177271789.db2.gz DKEKOORITVLNQK-QMMMGPOBSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC[S@]1=O ZINC000353803304 177272233 /nfs/dbraw/zinc/27/22/33/177272233.db2.gz JWASYOJCVBFFIG-BJOHPYRUSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)S1(=O)=O ZINC000289481315 177272271 /nfs/dbraw/zinc/27/22/71/177272271.db2.gz IVCZZBVIGLJLFY-DTORHVGOSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000308867429 177278970 /nfs/dbraw/zinc/27/89/70/177278970.db2.gz XLFGOLPUVIAWII-NTSWFWBYSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000308867429 177278971 /nfs/dbraw/zinc/27/89/71/177278971.db2.gz XLFGOLPUVIAWII-NTSWFWBYSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCCO1 ZINC000171047356 177279160 /nfs/dbraw/zinc/27/91/60/177279160.db2.gz JUYXZUNTEFKSRV-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO C[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccccc21 ZINC000054369784 177283964 /nfs/dbraw/zinc/28/39/64/177283964.db2.gz FEFUODWMZGTVLT-VIFPVBQESA-N 1 2 244.298 0.997 20 0 BCADLO C[C@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283533433 177288968 /nfs/dbraw/zinc/28/89/68/177288968.db2.gz RPSIWAKEHNSCTF-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC1 ZINC000355521425 177292987 /nfs/dbraw/zinc/29/29/87/177292987.db2.gz KWUVHJNQUOVLEQ-VIFPVBQESA-N 1 2 227.308 0.169 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC1 ZINC000355521425 177292989 /nfs/dbraw/zinc/29/29/89/177292989.db2.gz KWUVHJNQUOVLEQ-VIFPVBQESA-N 1 2 227.308 0.169 20 0 BCADLO C[C@H]1COCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000286510077 177293311 /nfs/dbraw/zinc/29/33/11/177293311.db2.gz BGWQPSWPOXADCR-WDEREUQCSA-N 1 2 237.303 0.672 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnn(C)n2)C1 ZINC000194430996 177314769 /nfs/dbraw/zinc/31/47/69/177314769.db2.gz GZSBXIYDCJQISL-DTORHVGOSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2nnn(C)n2)C1 ZINC000194430996 177314770 /nfs/dbraw/zinc/31/47/70/177314770.db2.gz GZSBXIYDCJQISL-DTORHVGOSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000354381727 177316539 /nfs/dbraw/zinc/31/65/39/177316539.db2.gz AUROPSCMEVXHQE-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330380409 177321250 /nfs/dbraw/zinc/32/12/50/177321250.db2.gz MBZNZOQHJXUQAI-NGZCFLSTSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nccs1 ZINC000340920781 177337590 /nfs/dbraw/zinc/33/75/90/177337590.db2.gz DVZBIWYRWBBVRH-JGVFFNPUSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nccs1 ZINC000340920781 177337592 /nfs/dbraw/zinc/33/75/92/177337592.db2.gz DVZBIWYRWBBVRH-JGVFFNPUSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000353982969 177341698 /nfs/dbraw/zinc/34/16/98/177341698.db2.gz JFBJAIJFQCFYEV-NWDGAFQWSA-N 1 2 240.347 0.823 20 0 BCADLO C[C@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000272322189 177394266 /nfs/dbraw/zinc/39/42/66/177394266.db2.gz BLDYHBRSVQCCST-MRVPVSSYSA-N 1 2 248.286 0.660 20 0 BCADLO C[C@H]1OCC[N@H+](CCC2(O)CC2)[C@@H]1C(N)=O ZINC000331931542 177398094 /nfs/dbraw/zinc/39/80/94/177398094.db2.gz GWORCBZBAZCWTB-BDAKNGLRSA-N 1 2 228.292 0.526 20 0 BCADLO C[C@H]1OCC[N@@H+](CCC2(O)CC2)[C@@H]1C(N)=O ZINC000331931542 177398096 /nfs/dbraw/zinc/39/80/96/177398096.db2.gz GWORCBZBAZCWTB-BDAKNGLRSA-N 1 2 228.292 0.526 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@](C)(O)C1CC1 ZINC000270149445 177530166 /nfs/dbraw/zinc/53/01/66/177530166.db2.gz HNVRZNKNURXAED-LBPRGKRZSA-N 1 2 237.303 0.885 20 0 BCADLO C[C@H](CF)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000479291694 225179383 /nfs/dbraw/zinc/17/93/83/225179383.db2.gz VDRIOVZWYHEIMC-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO CO[C@H]1C[NH+](Cc2ncccn2)C[C@@H]1OC ZINC000488004485 225340829 /nfs/dbraw/zinc/34/08/29/225340829.db2.gz WSJNEPUVMDOYQG-UWVGGRQHSA-N 1 2 223.276 0.322 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)no1 ZINC000313631715 487644483 /nfs/dbraw/zinc/64/44/83/487644483.db2.gz HLMAEKWDVUUGIC-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@](O)(CO)C2)no1 ZINC000313631715 487644484 /nfs/dbraw/zinc/64/44/84/487644484.db2.gz HLMAEKWDVUUGIC-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO COCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492770002 226048530 /nfs/dbraw/zinc/04/85/30/226048530.db2.gz QITKYLVVCQCLBK-ARJAWSKDSA-N 1 2 209.249 0.576 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774978 226050112 /nfs/dbraw/zinc/05/01/12/226050112.db2.gz XLDQWPCNUVQRGU-AEYKPDCFSA-N 1 2 248.286 0.064 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774980 226051118 /nfs/dbraw/zinc/05/11/18/226051118.db2.gz XLDQWPCNUVQRGU-PUPXCESUSA-N 1 2 248.286 0.064 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000492773077 226051122 /nfs/dbraw/zinc/05/11/22/226051122.db2.gz UTWISHANFWRJKR-DAFODLJHSA-N 1 2 246.270 0.214 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCN(C)C1=O ZINC000492808548 226056707 /nfs/dbraw/zinc/05/67/07/226056707.db2.gz DAKGNSBJNTZANF-XOULXFPDSA-N 1 2 248.286 0.112 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ncccc1O ZINC000492815472 226060032 /nfs/dbraw/zinc/06/00/32/226060032.db2.gz XDJXVBKZLGWDCD-ONEGZZNKSA-N 1 2 244.254 0.840 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856643 226067407 /nfs/dbraw/zinc/06/74/07/226067407.db2.gz CJHLAMDRVKHMBO-NSVKDGAOSA-N 1 2 223.276 0.963 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861595 226069227 /nfs/dbraw/zinc/06/92/27/226069227.db2.gz JWZQCOWUIJLNMR-ZKIWMZHNSA-N 1 2 241.316 0.306 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cnccn1 ZINC000492867917 226072352 /nfs/dbraw/zinc/07/23/52/226072352.db2.gz SGPIOEWDAYWQJK-OWOJBTEDSA-N 1 2 243.270 0.572 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000492894909 226076014 /nfs/dbraw/zinc/07/60/14/226076014.db2.gz NXHDDMFHCKLCJO-ADRPCIBZSA-N 1 2 235.287 0.795 20 0 BCADLO C[C@@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902635 226079375 /nfs/dbraw/zinc/07/93/75/226079375.db2.gz RPSIWAKEHNSCTF-PKRMOACSSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492902875 226079852 /nfs/dbraw/zinc/07/98/52/226079852.db2.gz RYSHKAQPZZUYAN-QMAVJUDZSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCn1cccn1 ZINC000492915974 226082882 /nfs/dbraw/zinc/08/28/82/226082882.db2.gz ZFVWJMZXYMUFEG-ARJAWSKDSA-N 1 2 245.286 0.826 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](CCO)C1 ZINC000493055532 226113704 /nfs/dbraw/zinc/11/37/04/226113704.db2.gz SQIGCBAZSLKLGU-TXXBHVLJSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC[C@@H](CO)C1 ZINC000493078329 226119353 /nfs/dbraw/zinc/11/93/53/226119353.db2.gz ZZCGMCBCEBJWBF-OKWQPMOJSA-N 1 2 235.287 0.700 20 0 BCADLO COCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493093788 226124686 /nfs/dbraw/zinc/12/46/86/226124686.db2.gz PNUAOCOLFFPBMW-IHWYPQMZSA-N 1 2 239.275 0.202 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(CF)C1 ZINC000493155647 226141812 /nfs/dbraw/zinc/14/18/12/226141812.db2.gz PAMWLAOTMVQKDM-OWOJBTEDSA-N 1 2 209.224 0.851 20 0 BCADLO COCOCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493181558 226146239 /nfs/dbraw/zinc/14/62/39/226146239.db2.gz CFEHWNFWSXKTLY-ONEGZZNKSA-N 1 2 239.275 0.550 20 0 BCADLO NC(=O)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493258869 226167813 /nfs/dbraw/zinc/16/78/13/226167813.db2.gz PWPIANQOOKBFLW-CDAZIORVSA-N 1 2 248.286 0.147 20 0 BCADLO NC(Cc1ccccc1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000495719907 226286926 /nfs/dbraw/zinc/28/69/26/226286926.db2.gz UEWIKBQZVLHXTI-SNVBAGLBSA-N 1 2 249.270 0.836 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCN(C)C1=O ZINC000493359578 226195063 /nfs/dbraw/zinc/19/50/63/226195063.db2.gz AZLJZJXZBCYHMO-CDAZIORVSA-N 1 2 248.286 0.112 20 0 BCADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1=O ZINC000493403900 226208167 /nfs/dbraw/zinc/20/81/67/226208167.db2.gz RFVGKPUUIBOHAK-VUDBWIFFSA-N 1 2 235.243 0.245 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOCC1 ZINC000493417502 226210920 /nfs/dbraw/zinc/21/09/20/226210920.db2.gz JIVSHWFNHOFQKG-UPHRSURJSA-N 1 2 207.233 0.282 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCCCO ZINC000493451559 226219870 /nfs/dbraw/zinc/21/98/70/226219870.db2.gz MUDSKQNTNWCKCB-SNAWJCMRSA-N 1 2 223.276 0.702 20 0 BCADLO CO[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493479308 226228477 /nfs/dbraw/zinc/22/84/77/226228477.db2.gz IMNUCZLHRSBDMG-ORAHPGNNSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(=O)CC1 ZINC000493495123 226232684 /nfs/dbraw/zinc/23/26/84/226232684.db2.gz NNPWMCSMILHHKW-UPHRSURJSA-N 1 2 219.244 0.614 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(=O)CC1 ZINC000493495122 226233276 /nfs/dbraw/zinc/23/32/76/226233276.db2.gz NNPWMCSMILHHKW-OWOJBTEDSA-N 1 2 219.244 0.614 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000493582920 226244411 /nfs/dbraw/zinc/24/44/11/226244411.db2.gz JXAXIUHESYUCNR-DBJVDPROSA-N 1 2 249.270 0.049 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1 ZINC000493643466 226247452 /nfs/dbraw/zinc/24/74/52/226247452.db2.gz MGEBGIMYGXNCLF-NSCUHMNNSA-N 1 2 218.220 0.190 20 0 BCADLO COC[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493661343 226248189 /nfs/dbraw/zinc/24/81/89/226248189.db2.gz OAAPVNCHLNSQJO-TYRPZCRBSA-N 1 2 223.276 0.822 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)NN1CCCCC1 ZINC000493667129 226248577 /nfs/dbraw/zinc/24/85/77/226248577.db2.gz XFXLKIZCMMZKRV-PLNGDYQASA-N 1 2 220.276 0.940 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CCO)CC1 ZINC000493719199 226250942 /nfs/dbraw/zinc/25/09/42/226250942.db2.gz GTFXZLYMOCDNDQ-OWOJBTEDSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](CO)C1 ZINC000493738035 226251813 /nfs/dbraw/zinc/25/18/13/226251813.db2.gz IJAVRUNFZQQOPO-FSIBCCDJSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(OC(F)F)C1 ZINC000493795041 226254332 /nfs/dbraw/zinc/25/43/32/226254332.db2.gz SXQAYJWZHJFXAC-OWOJBTEDSA-N 1 2 243.213 0.873 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC1(O)CCC1 ZINC000493797728 226254680 /nfs/dbraw/zinc/25/46/80/226254680.db2.gz YEVDMZOSQHVILC-NSCUHMNNSA-N 1 2 235.287 0.844 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC[C@H]1O ZINC000493802719 226254861 /nfs/dbraw/zinc/25/48/61/226254861.db2.gz KUXJFQGRAAHNTC-ATXJSMISSA-N 1 2 207.233 0.062 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NO[C@@H]1CCOC1 ZINC000493807543 226255135 /nfs/dbraw/zinc/25/51/35/226255135.db2.gz DOYFIPJKMBWOOC-FHKCNRDCSA-N 1 2 223.232 0.260 20 0 BCADLO NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494282155 226263248 /nfs/dbraw/zinc/26/32/48/226263248.db2.gz LHFJQQPOAMRYFW-UHFFFAOYSA-N 1 2 226.251 0.105 20 0 BCADLO NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494282155 226263249 /nfs/dbraw/zinc/26/32/49/226263249.db2.gz LHFJQQPOAMRYFW-UHFFFAOYSA-N 1 2 226.251 0.105 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)OC[C@@H]2C1 ZINC000496347444 226302617 /nfs/dbraw/zinc/30/26/17/226302617.db2.gz WZZICNUYSPLQLV-JTQLQIEISA-N 1 2 248.286 0.734 20 0 BCADLO COC[C@@H](C)C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000496511657 226306977 /nfs/dbraw/zinc/30/69/77/226306977.db2.gz ICZLXBBZVFTSSG-VIFPVBQESA-N 1 2 228.292 0.405 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@H]2COC(=O)N2)c[nH+]1 ZINC000496526764 226307388 /nfs/dbraw/zinc/30/73/88/226307388.db2.gz MNYNRQZZHPQSFO-SNVBAGLBSA-N 1 2 249.270 0.423 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)OCCCF ZINC000496808381 226314768 /nfs/dbraw/zinc/31/47/68/226314768.db2.gz IMBSOUAYBRYXMN-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)OCCCF ZINC000496808381 226314769 /nfs/dbraw/zinc/31/47/69/226314769.db2.gz IMBSOUAYBRYXMN-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000505581334 226357228 /nfs/dbraw/zinc/35/72/28/226357228.db2.gz HTJGVSZJRPFDDP-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1cnc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000505581334 226357229 /nfs/dbraw/zinc/35/72/29/226357229.db2.gz HTJGVSZJRPFDDP-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO COC1(CO)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000401750234 226361700 /nfs/dbraw/zinc/36/17/00/226361700.db2.gz NEGLWOCNRSCAAP-UHFFFAOYSA-N 1 2 240.307 0.086 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)N2CCCC2)n1 ZINC000507505310 226369439 /nfs/dbraw/zinc/36/94/39/226369439.db2.gz ATTATHHSWHBISQ-MRVPVSSYSA-N 1 2 238.291 0.651 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)[C@@H](C)CN1C ZINC000495732718 226287430 /nfs/dbraw/zinc/28/74/30/226287430.db2.gz XSSYPLBLWLUXDZ-VWYCJHECSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)[C@@H](C)CN1C ZINC000495732718 226287431 /nfs/dbraw/zinc/28/74/31/226287431.db2.gz XSSYPLBLWLUXDZ-VWYCJHECSA-N 1 2 241.335 0.461 20 0 BCADLO COCCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000564834431 322935566 /nfs/dbraw/zinc/93/55/66/322935566.db2.gz AJOHRMSWJFRLDV-VIFPVBQESA-N 1 2 243.332 0.638 20 0 BCADLO C[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000169931480 487657088 /nfs/dbraw/zinc/65/70/88/487657088.db2.gz DOOLJQPSENUKMX-MRVPVSSYSA-N 1 2 219.244 0.445 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000680864045 487660298 /nfs/dbraw/zinc/66/02/98/487660298.db2.gz CFUWFBLOJIEMDZ-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000680864045 487660300 /nfs/dbraw/zinc/66/03/00/487660300.db2.gz CFUWFBLOJIEMDZ-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO CCc1noc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000680864375 487660512 /nfs/dbraw/zinc/66/05/12/487660512.db2.gz FXNUTGHJPZVGKO-LLVKDONJSA-N 1 2 241.291 0.215 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000680864375 487660516 /nfs/dbraw/zinc/66/05/16/487660516.db2.gz FXNUTGHJPZVGKO-LLVKDONJSA-N 1 2 241.291 0.215 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cn(C)nn1 ZINC000661469673 487662875 /nfs/dbraw/zinc/66/28/75/487662875.db2.gz POUCINSXCNXGAI-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cn(C)nn1 ZINC000661469673 487662880 /nfs/dbraw/zinc/66/28/80/487662880.db2.gz POUCINSXCNXGAI-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CCc2c[nH+]cn2C1 ZINC000557481555 322938143 /nfs/dbraw/zinc/93/81/43/322938143.db2.gz MRBUENMUWKYEPN-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)C(F)F ZINC000228514824 487670090 /nfs/dbraw/zinc/67/00/90/487670090.db2.gz UDSPACQUVGYKIE-RITPCOANSA-N 1 2 215.265 0.663 20 0 BCADLO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccon1 ZINC000308915141 229260052 /nfs/dbraw/zinc/26/00/52/229260052.db2.gz BBCPXCAYVNICRH-BQBZGAKWSA-N 1 2 211.221 0.434 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000510111085 229291930 /nfs/dbraw/zinc/29/19/30/229291930.db2.gz AWHQUIPYCAUMSH-DTORHVGOSA-N 1 2 241.291 0.825 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000510111085 229291934 /nfs/dbraw/zinc/29/19/34/229291934.db2.gz AWHQUIPYCAUMSH-DTORHVGOSA-N 1 2 241.291 0.825 20 0 BCADLO COC[C@H](C)Cc1noc(C[NH+](C)C)n1 ZINC000351477366 487674835 /nfs/dbraw/zinc/67/48/35/487674835.db2.gz OCFMGVJPOKTCDR-MRVPVSSYSA-N 1 2 213.281 0.956 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccnn1 ZINC000675150095 487674853 /nfs/dbraw/zinc/67/48/53/487674853.db2.gz VRCRVGXKLHNBNF-SECBINFHSA-N 1 2 246.274 0.883 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@@H](C)C1=O ZINC000661544570 487685140 /nfs/dbraw/zinc/68/51/40/487685140.db2.gz GMTKLGLKRATEFN-MXWKQRLJSA-N 1 2 238.331 0.764 20 0 BCADLO CN(CC(=O)Nc1cnccn1)Cc1[nH]cc[nH+]1 ZINC000660142153 487685155 /nfs/dbraw/zinc/68/51/55/487685155.db2.gz PEGZNOVVZPWONF-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC(=O)N1C ZINC000669700709 487696999 /nfs/dbraw/zinc/69/69/99/487696999.db2.gz LHXDXOPJMKEWHI-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC(=O)N1C ZINC000669700709 487697004 /nfs/dbraw/zinc/69/70/04/487697004.db2.gz LHXDXOPJMKEWHI-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000527022085 262803103 /nfs/dbraw/zinc/80/31/03/262803103.db2.gz ALIJCBIOLWTJOI-MNOVXSKESA-N 1 2 237.303 0.646 20 0 BCADLO O=c1[nH]nc(Cn2cc[nH+]c2C2CC2)[nH]1 ZINC000527533349 262861468 /nfs/dbraw/zinc/86/14/68/262861468.db2.gz UJEMKHINSPYXEX-UHFFFAOYSA-N 1 2 205.221 0.633 20 0 BCADLO CCOC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000528732404 262968240 /nfs/dbraw/zinc/96/82/40/262968240.db2.gz PWLKCSXRLDCOJK-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000528732404 262968241 /nfs/dbraw/zinc/96/82/41/262968241.db2.gz PWLKCSXRLDCOJK-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO C[C@]([NH2+]Cc1cn[nH]c1)(C(N)=O)c1ccccc1 ZINC000683899233 487710686 /nfs/dbraw/zinc/71/06/86/487710686.db2.gz XBMJZHZINJXJBW-CYBMUJFWSA-N 1 2 244.298 0.900 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000671734613 487713985 /nfs/dbraw/zinc/71/39/85/487713985.db2.gz OEGBLEXRGLQRPA-LURJTMIESA-N 1 2 212.253 0.246 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000671734613 487713991 /nfs/dbraw/zinc/71/39/91/487713991.db2.gz OEGBLEXRGLQRPA-LURJTMIESA-N 1 2 212.253 0.246 20 0 BCADLO Nc1[nH+]cnc(N2CCO[C@@H](CF)C2)c1Cl ZINC000665742651 487714614 /nfs/dbraw/zinc/71/46/14/487714614.db2.gz XXZLRCUMDVDIBE-LURJTMIESA-N 1 2 246.673 0.887 20 0 BCADLO Nc1nc[nH+]c(N2CCO[C@@H](CF)C2)c1Cl ZINC000665742651 487714619 /nfs/dbraw/zinc/71/46/19/487714619.db2.gz XXZLRCUMDVDIBE-LURJTMIESA-N 1 2 246.673 0.887 20 0 BCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC000675360658 487719521 /nfs/dbraw/zinc/71/95/21/487719521.db2.gz VDYLFXCUOLCWJA-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1c(C)n[nH]c1C ZINC000678139060 487724747 /nfs/dbraw/zinc/72/47/47/487724747.db2.gz IXVNHCFNXOUMCZ-UHFFFAOYSA-N 1 2 238.335 0.937 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1c(C)n[nH]c1C ZINC000678139060 487724751 /nfs/dbraw/zinc/72/47/51/487724751.db2.gz IXVNHCFNXOUMCZ-UHFFFAOYSA-N 1 2 238.335 0.937 20 0 BCADLO CCNC(=O)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000665693092 487731619 /nfs/dbraw/zinc/73/16/19/487731619.db2.gz MIKRAARYSKQMSS-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CCNC(=O)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000665693092 487731625 /nfs/dbraw/zinc/73/16/25/487731625.db2.gz MIKRAARYSKQMSS-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO C[C@@H](CO)CNc1[nH+]cnc2c1OCCN2 ZINC000665694096 487733114 /nfs/dbraw/zinc/73/31/14/487733114.db2.gz HTJXXSQWUMUYPB-SSDOTTSWSA-N 1 2 224.264 0.321 20 0 BCADLO C[C@@H](CO)CNc1nc[nH+]c2c1OCCN2 ZINC000665694096 487733117 /nfs/dbraw/zinc/73/31/17/487733117.db2.gz HTJXXSQWUMUYPB-SSDOTTSWSA-N 1 2 224.264 0.321 20 0 BCADLO CCOCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665710224 487737283 /nfs/dbraw/zinc/73/72/83/487737283.db2.gz MEBIOWCAGBQNQI-UHFFFAOYSA-N 1 2 238.291 0.754 20 0 BCADLO CCOCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665710224 487737285 /nfs/dbraw/zinc/73/72/85/487737285.db2.gz MEBIOWCAGBQNQI-UHFFFAOYSA-N 1 2 238.291 0.754 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1nc[nH+]c2c1OCCN2 ZINC000665714143 487737327 /nfs/dbraw/zinc/73/73/27/487737327.db2.gz ZPCXWNGPHFQZBP-YUMQZZPRSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1[nH+]cnc2c1OCCN2 ZINC000665714143 487737329 /nfs/dbraw/zinc/73/73/29/487737329.db2.gz ZPCXWNGPHFQZBP-YUMQZZPRSA-N 1 2 236.275 0.240 20 0 BCADLO O=C1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)CN1 ZINC000665710529 487737506 /nfs/dbraw/zinc/73/75/06/487737506.db2.gz OYWJBMISGKTGKL-MRVPVSSYSA-N 1 2 233.275 0.351 20 0 BCADLO O=C1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)CN1 ZINC000665710529 487737511 /nfs/dbraw/zinc/73/75/11/487737511.db2.gz OYWJBMISGKTGKL-MRVPVSSYSA-N 1 2 233.275 0.351 20 0 BCADLO CC/C=C/CNc1nc[nH+]c2c1OCCN2 ZINC000665721463 487739950 /nfs/dbraw/zinc/73/99/50/487739950.db2.gz FLGCXGPVDWPOST-ONEGZZNKSA-N 1 2 220.276 0.772 20 0 BCADLO CC/C=C/CNc1[nH+]cnc2c1OCCN2 ZINC000665721463 487739952 /nfs/dbraw/zinc/73/99/52/487739952.db2.gz FLGCXGPVDWPOST-ONEGZZNKSA-N 1 2 220.276 0.772 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000665744832 487740926 /nfs/dbraw/zinc/74/09/26/487740926.db2.gz OVZFHCMRFMYNTG-QWRGUYRKSA-N 1 2 239.319 0.973 20 0 BCADLO CC[C@@H](Nc1nc[nH+]c2c1OCCN2)[C@@H](C)O ZINC000665722106 487740425 /nfs/dbraw/zinc/74/04/25/487740425.db2.gz RAYJQSWYJPCXQB-HTQZYQBOSA-N 1 2 238.291 0.852 20 0 BCADLO CC[C@@H](Nc1[nH+]cnc2c1OCCN2)[C@@H](C)O ZINC000665722106 487740428 /nfs/dbraw/zinc/74/04/28/487740428.db2.gz RAYJQSWYJPCXQB-HTQZYQBOSA-N 1 2 238.291 0.852 20 0 BCADLO Cc1cnc(C[N@H+](C)C[C@H]2COCCO2)o1 ZINC000661604118 487741799 /nfs/dbraw/zinc/74/17/99/487741799.db2.gz JWFPWPILYVZCKK-JTQLQIEISA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cnc(C[N@@H+](C)C[C@H]2COCCO2)o1 ZINC000661604118 487741802 /nfs/dbraw/zinc/74/18/02/487741802.db2.gz JWFPWPILYVZCKK-JTQLQIEISA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H]2COCCO2)nn1C ZINC000661609571 487747532 /nfs/dbraw/zinc/74/75/32/487747532.db2.gz NSHKNJZFAVCFMJ-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H]2COCCO2)nn1C ZINC000661609571 487747534 /nfs/dbraw/zinc/74/75/34/487747534.db2.gz NSHKNJZFAVCFMJ-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000681210482 487748819 /nfs/dbraw/zinc/74/88/19/487748819.db2.gz HYTAZXANFCBTJY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000681210482 487748823 /nfs/dbraw/zinc/74/88/23/487748823.db2.gz HYTAZXANFCBTJY-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO Cc1cc(NCC[C@]2(O)CCCOC2)nc[nH+]1 ZINC000651468689 487748860 /nfs/dbraw/zinc/74/88/60/487748860.db2.gz RAUOPAVVWGWLKB-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000384970856 487757495 /nfs/dbraw/zinc/75/74/95/487757495.db2.gz IKSQVDOAIJNWKO-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000384970856 487757498 /nfs/dbraw/zinc/75/74/98/487757498.db2.gz IKSQVDOAIJNWKO-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@@H](C(=O)N1CC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000684086227 487760542 /nfs/dbraw/zinc/76/05/42/487760542.db2.gz VVKYIFBQXJGYPH-NSHDSACASA-N 1 2 239.363 0.491 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC2CC2)C[C@@H]1C ZINC000681264369 487762501 /nfs/dbraw/zinc/76/25/01/487762501.db2.gz YEJWBTJIOUESDE-VIFPVBQESA-N 1 2 247.364 0.009 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC2CC2)C[C@@H]1C ZINC000681264369 487762507 /nfs/dbraw/zinc/76/25/07/487762507.db2.gz YEJWBTJIOUESDE-VIFPVBQESA-N 1 2 247.364 0.009 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCc1ncccc1O ZINC000357463759 487768182 /nfs/dbraw/zinc/76/81/82/487768182.db2.gz HXHFOHGDYNFYNF-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CCn1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000668448950 487771235 /nfs/dbraw/zinc/77/12/35/487771235.db2.gz XRKDRFLVQSPMKX-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CC[C@H](O[NH+]=C(N)COC(C)C)C(N)=O ZINC000763425843 585448311 /nfs/dbraw/zinc/44/83/11/585448311.db2.gz HQKSMXKNTKRYLH-ZETCQYMHSA-N 1 2 217.269 0.174 20 0 BCADLO COCC1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000675895676 487789021 /nfs/dbraw/zinc/78/90/21/487789021.db2.gz HZZWSPSASXVURF-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CCO1 ZINC000408119847 487791672 /nfs/dbraw/zinc/79/16/72/487791672.db2.gz QSQXUMPOSWYJOR-RKDXNWHRSA-N 1 2 236.271 0.963 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)[C@H](O)C1CC1 ZINC000666365819 487793882 /nfs/dbraw/zinc/79/38/82/487793882.db2.gz DBDOHCPQEHTNFM-LLVKDONJSA-N 1 2 249.314 0.535 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCCNC1=O ZINC000675966794 487798188 /nfs/dbraw/zinc/79/81/88/487798188.db2.gz CWHIHNJGBPHYOP-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCCNC1=O ZINC000675966794 487798190 /nfs/dbraw/zinc/79/81/90/487798190.db2.gz CWHIHNJGBPHYOP-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CCC[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000777713585 585718914 /nfs/dbraw/zinc/71/89/14/585718914.db2.gz KMQNRENXHUGBCX-JTQLQIEISA-N 1 2 215.293 0.860 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669611401 487803659 /nfs/dbraw/zinc/80/36/59/487803659.db2.gz NXJVETFISPGOLQ-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669611401 487803661 /nfs/dbraw/zinc/80/36/61/487803661.db2.gz NXJVETFISPGOLQ-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@@H]1O ZINC000674306073 487808025 /nfs/dbraw/zinc/80/80/25/487808025.db2.gz CTCMMCNDBQFJFE-PHIMTYICSA-N 1 2 238.287 0.091 20 0 BCADLO O[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@@H]1O ZINC000674306073 487808027 /nfs/dbraw/zinc/80/80/27/487808027.db2.gz CTCMMCNDBQFJFE-PHIMTYICSA-N 1 2 238.287 0.091 20 0 BCADLO CC[C@](C)(O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676079854 487810228 /nfs/dbraw/zinc/81/02/28/487810228.db2.gz KLECBTGTGKKICU-NSHDSACASA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@](C)(O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000676079854 487810236 /nfs/dbraw/zinc/81/02/36/487810236.db2.gz KLECBTGTGKKICU-NSHDSACASA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H](O)C2CC2)[nH+]1 ZINC000676079270 487810701 /nfs/dbraw/zinc/81/07/01/487810701.db2.gz KXWGNZFGIFDOFA-SECBINFHSA-N 1 2 237.307 0.429 20 0 BCADLO Cc1nc(NC[C@@H](O)C2CC2)nc(N(C)C)[nH+]1 ZINC000676079270 487810706 /nfs/dbraw/zinc/81/07/06/487810706.db2.gz KXWGNZFGIFDOFA-SECBINFHSA-N 1 2 237.307 0.429 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CO ZINC000557813046 322942700 /nfs/dbraw/zinc/94/27/00/322942700.db2.gz SZQBCGXACPGIMU-ZJUUUORDSA-N 1 2 237.303 0.049 20 0 BCADLO Cc1nc(N(C)Cc2cc[nH]n2)nc(N(C)C)[nH+]1 ZINC000676080740 487811054 /nfs/dbraw/zinc/81/10/54/487811054.db2.gz WWWXDRRCBPAUTB-UHFFFAOYSA-N 1 2 247.306 0.606 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)Cc2cc[nH]n2)[nH+]1 ZINC000676080740 487811059 /nfs/dbraw/zinc/81/10/59/487811059.db2.gz WWWXDRRCBPAUTB-UHFFFAOYSA-N 1 2 247.306 0.606 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000676080584 487811162 /nfs/dbraw/zinc/81/11/62/487811162.db2.gz TUULMCKOMAYQCZ-YUMQZZPRSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N[C@@H](C)[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000676080584 487811166 /nfs/dbraw/zinc/81/11/66/487811166.db2.gz TUULMCKOMAYQCZ-YUMQZZPRSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2(CO)CC2)[nH+]1 ZINC000676080982 487811808 /nfs/dbraw/zinc/81/18/08/487811808.db2.gz NUSHRSBYCONQLH-UHFFFAOYSA-N 1 2 237.307 0.430 20 0 BCADLO Cc1nc(NCC2(CO)CC2)nc(N(C)C)[nH+]1 ZINC000676080982 487811814 /nfs/dbraw/zinc/81/18/14/487811814.db2.gz NUSHRSBYCONQLH-UHFFFAOYSA-N 1 2 237.307 0.430 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCOC[C@H]1CO ZINC000309273769 487813001 /nfs/dbraw/zinc/81/30/01/487813001.db2.gz SKKIUAGQFZKOTL-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ncccc1C[N@H+]1CCOC[C@H]1CO ZINC000309273769 487813008 /nfs/dbraw/zinc/81/30/08/487813008.db2.gz SKKIUAGQFZKOTL-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884492 487813100 /nfs/dbraw/zinc/81/31/00/487813100.db2.gz TULRHOXYQTWWBD-CMPLNLGQSA-N 1 2 239.319 0.422 20 0 BCADLO C[C@H](CO)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884492 487813103 /nfs/dbraw/zinc/81/31/03/487813103.db2.gz TULRHOXYQTWWBD-CMPLNLGQSA-N 1 2 239.319 0.422 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000073167330 487814003 /nfs/dbraw/zinc/81/40/03/487814003.db2.gz WGVMOCMAEVCGEE-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000073167330 487814009 /nfs/dbraw/zinc/81/40/09/487814009.db2.gz WGVMOCMAEVCGEE-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 ZINC000265229732 487816939 /nfs/dbraw/zinc/81/69/39/487816939.db2.gz ZKCSVYOTQCZMFL-MRTMQBJTSA-N 1 2 221.260 0.768 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681578489 487817574 /nfs/dbraw/zinc/81/75/74/487817574.db2.gz DFEJDVWKXSAMBV-SECBINFHSA-N 1 2 207.277 0.924 20 0 BCADLO Cc1cc(NC(=O)NC2([C@H](C)O)CC2)cc[nH+]1 ZINC000666489731 487820510 /nfs/dbraw/zinc/82/05/10/487820510.db2.gz JFFYLQNKYVXNFG-VIFPVBQESA-N 1 2 235.287 0.847 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681603377 487821992 /nfs/dbraw/zinc/82/19/92/487821992.db2.gz CNEDEBWWAUZFSQ-SCZZXKLOSA-N 1 2 248.290 0.978 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681603377 487821999 /nfs/dbraw/zinc/82/19/99/487821999.db2.gz CNEDEBWWAUZFSQ-SCZZXKLOSA-N 1 2 248.290 0.978 20 0 BCADLO CCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828386 487822487 /nfs/dbraw/zinc/82/24/87/487822487.db2.gz TZEYBSLYWBAPGF-UHFFFAOYSA-N 1 2 243.332 0.939 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000649937938 487824449 /nfs/dbraw/zinc/82/44/49/487824449.db2.gz CVLMQCZQKQQFHU-DCAQKATOSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000649937938 487824454 /nfs/dbraw/zinc/82/44/54/487824454.db2.gz CVLMQCZQKQQFHU-DCAQKATOSA-N 1 2 244.310 0.666 20 0 BCADLO CC[C@@H](C(=O)NC1=[NH+]CCS1)[C@H](C)O ZINC000790070681 585957392 /nfs/dbraw/zinc/95/73/92/585957392.db2.gz ZBEPNWFNGPPWKA-NKWVEPMBSA-N 1 2 216.306 0.612 20 0 BCADLO Cn1ccc(C[NH2+]CC(=O)NCc2ccco2)n1 ZINC000533813276 322944720 /nfs/dbraw/zinc/94/47/20/322944720.db2.gz XHYPKAVEIBLDCI-UHFFFAOYSA-N 1 2 248.286 0.419 20 0 BCADLO COC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647964239 487827208 /nfs/dbraw/zinc/82/72/08/487827208.db2.gz ZQKBXSDZJBRMIS-JTQLQIEISA-N 1 2 224.308 0.706 20 0 BCADLO COC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647964239 487827214 /nfs/dbraw/zinc/82/72/14/487827214.db2.gz ZQKBXSDZJBRMIS-JTQLQIEISA-N 1 2 224.308 0.706 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(C)(F)F)CC1 ZINC000808453284 586044316 /nfs/dbraw/zinc/04/43/16/586044316.db2.gz CJWNJWUMDHUYJW-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(CC(F)F)C[C@H]21 ZINC000676241206 487828610 /nfs/dbraw/zinc/82/86/10/487828610.db2.gz HYNHMGGFSOPZAZ-SFYZADRCSA-N 1 2 206.236 0.266 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(CC(F)F)C[C@H]21 ZINC000676241206 487828612 /nfs/dbraw/zinc/82/86/12/487828612.db2.gz HYNHMGGFSOPZAZ-SFYZADRCSA-N 1 2 206.236 0.266 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1n[nH]c(CC)n1 ZINC000479109731 527825423 /nfs/dbraw/zinc/82/54/23/527825423.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1n[nH]c(CC)n1 ZINC000479109731 527825428 /nfs/dbraw/zinc/82/54/28/527825428.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO Cc1ncc([C@H](C)[N@H+](C)CC(N)=O)c(C)n1 ZINC000681657806 487833024 /nfs/dbraw/zinc/83/30/24/487833024.db2.gz DKAJYDDWAPUDLM-QMMMGPOBSA-N 1 2 222.292 0.572 20 0 BCADLO Cc1ncc([C@H](C)[N@@H+](C)CC(N)=O)c(C)n1 ZINC000681657806 487833026 /nfs/dbraw/zinc/83/30/26/487833026.db2.gz DKAJYDDWAPUDLM-QMMMGPOBSA-N 1 2 222.292 0.572 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@H](C)C1 ZINC000846089768 588256125 /nfs/dbraw/zinc/25/61/25/588256125.db2.gz VIPWTMWUNQBODP-IUCAKERBSA-N 1 2 200.282 0.832 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000371571808 487840390 /nfs/dbraw/zinc/84/03/90/487840390.db2.gz MQZQSJAZCLVMPC-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000371571808 487840394 /nfs/dbraw/zinc/84/03/94/487840394.db2.gz MQZQSJAZCLVMPC-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(O)CCC1 ZINC000668993541 487842388 /nfs/dbraw/zinc/84/23/88/487842388.db2.gz RLYJMDMJYMAEFK-NXEZZACHSA-N 1 2 249.314 0.555 20 0 BCADLO O=C(Cn1cc(C2CC2)cn1)NCc1c[nH+]c[nH]1 ZINC000668995191 487843322 /nfs/dbraw/zinc/84/33/22/487843322.db2.gz IXHFXZZCIVBNPA-UHFFFAOYSA-N 1 2 245.286 0.800 20 0 BCADLO O=C(Cn1cc(C2CC2)cn1)NCc1c[nH]c[nH+]1 ZINC000668995191 487843326 /nfs/dbraw/zinc/84/33/26/487843326.db2.gz IXHFXZZCIVBNPA-UHFFFAOYSA-N 1 2 245.286 0.800 20 0 BCADLO COc1cncc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000676385213 487843390 /nfs/dbraw/zinc/84/33/90/487843390.db2.gz IQAUDTTUUBQWPH-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cncc(C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000676385213 487843394 /nfs/dbraw/zinc/84/33/94/487843394.db2.gz IQAUDTTUUBQWPH-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1ccccc1=O ZINC000681707696 487843844 /nfs/dbraw/zinc/84/38/44/487843844.db2.gz ISGZLQZFLYWBJN-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1ccccc1=O ZINC000681707696 487843848 /nfs/dbraw/zinc/84/38/48/487843848.db2.gz ISGZLQZFLYWBJN-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)CC[C@H]1O ZINC000681708095 487844036 /nfs/dbraw/zinc/84/40/36/487844036.db2.gz RWBAHHUNFIZGQM-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)CC[C@H]1O ZINC000681708095 487844039 /nfs/dbraw/zinc/84/40/39/487844039.db2.gz RWBAHHUNFIZGQM-DTWKUNHWSA-N 1 2 239.275 0.316 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164620277 487844418 /nfs/dbraw/zinc/84/44/18/487844418.db2.gz GSNHDVRICYZLDC-RKDXNWHRSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164620277 487844423 /nfs/dbraw/zinc/84/44/23/487844423.db2.gz GSNHDVRICYZLDC-RKDXNWHRSA-N 1 2 201.266 0.252 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000674468613 487846797 /nfs/dbraw/zinc/84/67/97/487846797.db2.gz ZFHNXBXEKOJXJN-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000674468613 487846802 /nfs/dbraw/zinc/84/68/02/487846802.db2.gz ZFHNXBXEKOJXJN-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880302821 590998153 /nfs/dbraw/zinc/99/81/53/590998153.db2.gz KFHACYPPHGCJDR-QMMMGPOBSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880302821 590998157 /nfs/dbraw/zinc/99/81/57/590998157.db2.gz KFHACYPPHGCJDR-QMMMGPOBSA-N 1 2 240.225 0.386 20 0 BCADLO C[C@@](O)(C[N@H+]1CCO[C@@H](C(F)F)C1)C(F)F ZINC000886190497 592173200 /nfs/dbraw/zinc/17/32/00/592173200.db2.gz SVTADQVVNMNBOM-HZGVNTEJSA-N 1 2 245.216 0.968 20 0 BCADLO CC(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886813236 592336047 /nfs/dbraw/zinc/33/60/47/592336047.db2.gz GZKXEGOMUOXZTO-QMMMGPOBSA-N 1 2 225.210 0.822 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000676414308 487849999 /nfs/dbraw/zinc/84/99/99/487849999.db2.gz TWCKWLNBJQIIHX-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000676414308 487850004 /nfs/dbraw/zinc/85/00/04/487850004.db2.gz TWCKWLNBJQIIHX-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681746715 487851188 /nfs/dbraw/zinc/85/11/88/487851188.db2.gz XLZGYYNSGGTKOX-UTLUCORTSA-N 1 2 219.288 0.970 20 0 BCADLO CCN1CC[N@H+](Cc2cn[nH]c2)C(C)(C)C1=O ZINC000681752728 487854850 /nfs/dbraw/zinc/85/48/50/487854850.db2.gz BYXUYNKAVGHZTB-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CCN1CC[N@@H+](Cc2cn[nH]c2)C(C)(C)C1=O ZINC000681752728 487854856 /nfs/dbraw/zinc/85/48/56/487854856.db2.gz BYXUYNKAVGHZTB-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO Cn1nc2c(c1NC(=O)Cn1cc[nH+]c1)CCC2 ZINC000558643907 322952789 /nfs/dbraw/zinc/95/27/89/322952789.db2.gz WCFVAQTWLKNPQS-UHFFFAOYSA-N 1 2 245.286 0.744 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccccc1O ZINC000558643697 322952903 /nfs/dbraw/zinc/95/29/03/322952903.db2.gz NRGBKYCHUHODKP-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000681755375 487855625 /nfs/dbraw/zinc/85/56/25/487855625.db2.gz SKNIYFRXMDUDPU-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO COC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121367292 487856110 /nfs/dbraw/zinc/85/61/10/487856110.db2.gz QTGXFHIKJVKJQB-YUMQZZPRSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121367292 487856116 /nfs/dbraw/zinc/85/61/16/487856116.db2.gz QTGXFHIKJVKJQB-YUMQZZPRSA-N 1 2 243.225 0.257 20 0 BCADLO C[C@H]1COCCCN1C(=O)CCn1cc[nH+]c1 ZINC000676513960 487862813 /nfs/dbraw/zinc/86/28/13/487862813.db2.gz JUXAFPRVMAPOTC-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000330208417 487864201 /nfs/dbraw/zinc/86/42/01/487864201.db2.gz GSGJZDKQPVHIIW-VHSXEESVSA-N 1 2 249.318 0.595 20 0 BCADLO Cc1nc(N[C@@H]2C=C[C@H](CO)C2)nc(N(C)C)[nH+]1 ZINC000330208417 487864207 /nfs/dbraw/zinc/86/42/07/487864207.db2.gz GSGJZDKQPVHIIW-VHSXEESVSA-N 1 2 249.318 0.595 20 0 BCADLO CC[C@H]1C[N@H+](CCNc2nnc(C)o2)CCO1 ZINC000343093375 487867379 /nfs/dbraw/zinc/86/73/79/487867379.db2.gz ILUQXACJDZFTLM-JTQLQIEISA-N 1 2 240.307 0.901 20 0 BCADLO CC[C@H]1C[N@@H+](CCNc2nnc(C)o2)CCO1 ZINC000343093375 487867382 /nfs/dbraw/zinc/86/73/82/487867382.db2.gz ILUQXACJDZFTLM-JTQLQIEISA-N 1 2 240.307 0.901 20 0 BCADLO C[C@@H]1COCCCN1C(=O)Cn1cc[nH+]c1 ZINC000676537072 487870295 /nfs/dbraw/zinc/87/02/95/487870295.db2.gz IJAKKVIXRBOCGQ-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnc2n1CCC2 ZINC000668193940 487872347 /nfs/dbraw/zinc/87/23/47/487872347.db2.gz USRCMSHUNHRCFK-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CC12CCC2 ZINC000676580159 487876839 /nfs/dbraw/zinc/87/68/39/487876839.db2.gz WMSNSVUNBDGGCN-VXGBXAGGSA-N 1 2 249.358 0.293 20 0 BCADLO C[C@H](CNC(=O)c1ncc[nH]1)Cn1cc[nH+]c1 ZINC000669018832 487879427 /nfs/dbraw/zinc/87/94/27/487879427.db2.gz QKDJOGOFQXHCST-SECBINFHSA-N 1 2 233.275 0.672 20 0 BCADLO O=C1C[N@@H+](CCc2noc3ccccc32)CCN1 ZINC000653480787 487879957 /nfs/dbraw/zinc/87/99/57/487879957.db2.gz PFFPRKAVZRIFED-UHFFFAOYSA-N 1 2 245.282 0.802 20 0 BCADLO O=C1C[N@H+](CCc2noc3ccccc32)CCN1 ZINC000653480787 487879953 /nfs/dbraw/zinc/87/99/53/487879953.db2.gz PFFPRKAVZRIFED-UHFFFAOYSA-N 1 2 245.282 0.802 20 0 BCADLO CCc1noc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000048065568 487882468 /nfs/dbraw/zinc/88/24/68/487882468.db2.gz YKLYOMQBIHWJEV-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000048065568 487882477 /nfs/dbraw/zinc/88/24/77/487882477.db2.gz YKLYOMQBIHWJEV-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682033339 487885082 /nfs/dbraw/zinc/88/50/82/487885082.db2.gz PORJTVVGTVSICU-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO CN(C)C(=O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682033339 487885087 /nfs/dbraw/zinc/88/50/87/487885087.db2.gz PORJTVVGTVSICU-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(N)=O)C1 ZINC000682037055 487887055 /nfs/dbraw/zinc/88/70/55/487887055.db2.gz DKBYFABANXVNEG-MRVPVSSYSA-N 1 2 240.225 0.515 20 0 BCADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(N)=O)C1 ZINC000682037055 487887059 /nfs/dbraw/zinc/88/70/59/487887059.db2.gz DKBYFABANXVNEG-MRVPVSSYSA-N 1 2 240.225 0.515 20 0 BCADLO CCOCCCC(=O)NCCn1cc[nH+]c1 ZINC000048141946 487887158 /nfs/dbraw/zinc/88/71/58/487887158.db2.gz RTMRNELIPGYRAX-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000670273606 487896515 /nfs/dbraw/zinc/89/65/15/487896515.db2.gz KNILRKMKWVDXRT-NSHDSACASA-N 1 2 229.251 0.678 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000670273606 487896521 /nfs/dbraw/zinc/89/65/21/487896521.db2.gz KNILRKMKWVDXRT-NSHDSACASA-N 1 2 229.251 0.678 20 0 BCADLO CCc1cc(N[C@@H]2CCC(=O)N(C)C2=O)nc[nH+]1 ZINC000090031419 487896695 /nfs/dbraw/zinc/89/66/95/487896695.db2.gz UUPQJWGXWQOOHC-SECBINFHSA-N 1 2 248.286 0.598 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000676710369 487897055 /nfs/dbraw/zinc/89/70/55/487897055.db2.gz CRJLEXRHOKTATR-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000676710369 487897063 /nfs/dbraw/zinc/89/70/63/487897063.db2.gz CRJLEXRHOKTATR-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO CCC[C@@H](O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000676750798 487917493 /nfs/dbraw/zinc/91/74/93/487917493.db2.gz TZRUGOKOQHXKMQ-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)C[C@H]1COCCO1 ZINC000668547495 487919762 /nfs/dbraw/zinc/91/97/62/487919762.db2.gz TYOKZDRYTMYDPY-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)C[C@H]1COCCO1 ZINC000668547495 487919767 /nfs/dbraw/zinc/91/97/67/487919767.db2.gz TYOKZDRYTMYDPY-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)C[C@H]1COCCO1 ZINC000668547495 487919770 /nfs/dbraw/zinc/91/97/70/487919770.db2.gz TYOKZDRYTMYDPY-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000668547495 487919774 /nfs/dbraw/zinc/91/97/74/487919774.db2.gz TYOKZDRYTMYDPY-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H](O)C1CC1 ZINC000667000548 487921382 /nfs/dbraw/zinc/92/13/82/487921382.db2.gz GKEKUSWXNKMGRW-SNVBAGLBSA-N 1 2 235.287 0.857 20 0 BCADLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)nc1 ZINC000083596558 487923166 /nfs/dbraw/zinc/92/31/66/487923166.db2.gz VAUKCUZHWXNFSD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO CCOc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)nc1 ZINC000083596558 487923170 /nfs/dbraw/zinc/92/31/70/487923170.db2.gz VAUKCUZHWXNFSD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO CCC[C@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000052732733 487934772 /nfs/dbraw/zinc/93/47/72/487934772.db2.gz ILXSRAXXXACKQZ-SECBINFHSA-N 1 2 248.286 0.884 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC(C)(F)C1 ZINC000684593154 487944108 /nfs/dbraw/zinc/94/41/08/487944108.db2.gz WFDACAWPLLCWES-UHFFFAOYSA-N 1 2 221.239 0.912 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666012953 487944655 /nfs/dbraw/zinc/94/46/55/487944655.db2.gz MECJQNQCMUAYHO-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1c1nc2[nH]ncc2c(=O)[nH]1 ZINC000682392179 487945310 /nfs/dbraw/zinc/94/53/10/487945310.db2.gz BQZROBWQSKZCOK-ZETCQYMHSA-N 1 2 248.290 0.199 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1c1nc2[nH]ncc2c(=O)[nH]1 ZINC000682392179 487945312 /nfs/dbraw/zinc/94/53/12/487945312.db2.gz BQZROBWQSKZCOK-ZETCQYMHSA-N 1 2 248.290 0.199 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ncn(C)n1 ZINC000667139898 487945313 /nfs/dbraw/zinc/94/53/13/487945313.db2.gz UGIJJEVCQBPMJU-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ncn(C)n1 ZINC000667139898 487945317 /nfs/dbraw/zinc/94/53/17/487945317.db2.gz UGIJJEVCQBPMJU-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ccnc(C)n1 ZINC000684616858 487946465 /nfs/dbraw/zinc/94/64/65/487946465.db2.gz LLRYULFZYIOVCN-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccnc(C)n1 ZINC000684616858 487946466 /nfs/dbraw/zinc/94/64/66/487946466.db2.gz LLRYULFZYIOVCN-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000564469655 322968119 /nfs/dbraw/zinc/96/81/19/322968119.db2.gz FZVGKQUCEHEFBC-GXFFZTMASA-N 1 2 249.314 0.946 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cn2c(n1)CCC2 ZINC000566268317 322981781 /nfs/dbraw/zinc/98/17/81/322981781.db2.gz SKTUTQQHRDEUJJ-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CN(Cc1ccc[nH]1)C(=O)Cc1c[nH+]cn1C ZINC000561501422 323002991 /nfs/dbraw/zinc/00/29/91/323002991.db2.gz KHEHLWCYMJPIIF-UHFFFAOYSA-N 1 2 232.287 0.949 20 0 BCADLO Cc1nc(C[NH2+][C@@H](C)C(=O)NCCF)[nH]c1C ZINC000566497047 323003025 /nfs/dbraw/zinc/00/30/25/323003025.db2.gz RGOHUQAVHKZZFK-VIFPVBQESA-N 1 2 242.298 0.590 20 0 BCADLO Cc1[nH]c(CN[C@@H](C)C(=O)NCCF)[nH+]c1C ZINC000566497047 323003026 /nfs/dbraw/zinc/00/30/26/323003026.db2.gz RGOHUQAVHKZZFK-VIFPVBQESA-N 1 2 242.298 0.590 20 0 BCADLO COC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000074767924 323003117 /nfs/dbraw/zinc/00/31/17/323003117.db2.gz BXNWGKWOKPZLHY-UHFFFAOYSA-N 1 2 235.287 0.966 20 0 BCADLO c1[nH+]cn2c1CN(c1cccnn1)CC2 ZINC000562237644 323013757 /nfs/dbraw/zinc/01/37/57/323013757.db2.gz ABNIDJOJCLMWPQ-UHFFFAOYSA-N 1 2 201.233 0.693 20 0 BCADLO CN(CCc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC000562273271 323014668 /nfs/dbraw/zinc/01/46/68/323014668.db2.gz LHMXPWWABAHPDD-UHFFFAOYSA-N 1 2 244.298 0.979 20 0 BCADLO Cc1cc(NC(=O)N2CC(CO)C2)c(C)c[nH+]1 ZINC000562327453 323016453 /nfs/dbraw/zinc/01/64/53/323016453.db2.gz YZQCQMHETRKKRY-UHFFFAOYSA-N 1 2 235.287 0.576 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)[nH]1 ZINC000562376770 323018433 /nfs/dbraw/zinc/01/84/33/323018433.db2.gz DUFZMSNLPPPJHZ-WPRPVWTQSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000562377412 323018621 /nfs/dbraw/zinc/01/86/21/323018621.db2.gz MGUZSLIFYOKFGU-QMMMGPOBSA-N 1 2 208.265 0.070 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000562377412 323018622 /nfs/dbraw/zinc/01/86/22/323018622.db2.gz MGUZSLIFYOKFGU-QMMMGPOBSA-N 1 2 208.265 0.070 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(=O)N1CCC1 ZINC000562444841 323020268 /nfs/dbraw/zinc/02/02/68/323020268.db2.gz UDSGFHFNBBGZDK-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC(=O)N1CCC1 ZINC000562444841 323020269 /nfs/dbraw/zinc/02/02/69/323020269.db2.gz UDSGFHFNBBGZDK-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO Cn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000565105319 323020833 /nfs/dbraw/zinc/02/08/33/323020833.db2.gz LNFIFEQLUQLVTF-UHFFFAOYSA-N 1 2 234.263 0.203 20 0 BCADLO C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC(=O)N1 ZINC000562554375 323024066 /nfs/dbraw/zinc/02/40/66/323024066.db2.gz MHMZXNDZKVEDJL-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC(=O)N1 ZINC000562554375 323024067 /nfs/dbraw/zinc/02/40/67/323024067.db2.gz MHMZXNDZKVEDJL-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO O[C@H]1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000562725171 323029234 /nfs/dbraw/zinc/02/92/34/323029234.db2.gz IJFODSOUOIXPRX-DTORHVGOSA-N 1 2 220.276 0.986 20 0 BCADLO O[C@H]1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000562725171 323029235 /nfs/dbraw/zinc/02/92/35/323029235.db2.gz IJFODSOUOIXPRX-DTORHVGOSA-N 1 2 220.276 0.986 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000569738456 323039442 /nfs/dbraw/zinc/03/94/42/323039442.db2.gz QHXNDBBHAXXDOX-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CNC(=O)CCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000569738456 323039443 /nfs/dbraw/zinc/03/94/43/323039443.db2.gz QHXNDBBHAXXDOX-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1nc(N(C)Cc2nnc3n2CCC3)cc[nH+]1 ZINC000525707375 323040225 /nfs/dbraw/zinc/04/02/25/323040225.db2.gz DHFJMEDMFWXERE-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)Cc1cc[nH]n1 ZINC000569988505 323046687 /nfs/dbraw/zinc/04/66/87/323046687.db2.gz QUSJDOINXZMNMV-UHFFFAOYSA-N 1 2 234.263 0.427 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)Cc1cc[nH]n1 ZINC000569988505 323046688 /nfs/dbraw/zinc/04/66/88/323046688.db2.gz QUSJDOINXZMNMV-UHFFFAOYSA-N 1 2 234.263 0.427 20 0 BCADLO C[C@H](CC(=O)NC(C)(C)C(N)=O)n1cc[nH+]c1 ZINC000570048037 323048200 /nfs/dbraw/zinc/04/82/00/323048200.db2.gz DXAFFIRYIHAMTN-MRVPVSSYSA-N 1 2 238.291 0.214 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000570100435 323049809 /nfs/dbraw/zinc/04/98/09/323049809.db2.gz OOYHAQFGKGXZEL-WDEREUQCSA-N 1 2 237.303 0.767 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)n1 ZINC000570223440 323053269 /nfs/dbraw/zinc/05/32/69/323053269.db2.gz WDGVRLRZLNDRGJ-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](c3ccncc3)C2)n1 ZINC000570223440 323053270 /nfs/dbraw/zinc/05/32/70/323053270.db2.gz WDGVRLRZLNDRGJ-LLVKDONJSA-N 1 2 244.302 0.595 20 0 BCADLO COC(=O)c1nn(C)c(C)c1CNc1c[nH]c[nH+]1 ZINC000570383408 323057765 /nfs/dbraw/zinc/05/77/65/323057765.db2.gz PHVBJIHGUXHCRT-UHFFFAOYSA-N 1 2 249.274 0.850 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCn2ncnc2C1 ZINC000570400453 323058520 /nfs/dbraw/zinc/05/85/20/323058520.db2.gz YQLXVJWKOJXNPB-QWRGUYRKSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCn2ncnc2C1 ZINC000570400453 323058521 /nfs/dbraw/zinc/05/85/21/323058521.db2.gz YQLXVJWKOJXNPB-QWRGUYRKSA-N 1 2 236.319 0.645 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)Cc1nc[nH]n1 ZINC000570462400 323059994 /nfs/dbraw/zinc/05/99/94/323059994.db2.gz FKZHXJRLBAXKPR-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO [NH3+][C@H](C(=O)N[C@@H]1CC12CC2)c1cscn1 ZINC000570624906 323065002 /nfs/dbraw/zinc/06/50/02/323065002.db2.gz UEKCJCMXEJYBGG-SFYZADRCSA-N 1 2 223.301 0.812 20 0 BCADLO [NH3+][C@@H](C(=O)N[C@@H]1CC12CC2)c1cscn1 ZINC000570624904 323065038 /nfs/dbraw/zinc/06/50/38/323065038.db2.gz UEKCJCMXEJYBGG-HTQZYQBOSA-N 1 2 223.301 0.812 20 0 BCADLO CC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156293236 323065416 /nfs/dbraw/zinc/06/54/16/323065416.db2.gz GLSLNQHKNBAKMA-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156293236 323065417 /nfs/dbraw/zinc/06/54/17/323065417.db2.gz GLSLNQHKNBAKMA-RKDXNWHRSA-N 1 2 229.276 0.433 20 0 BCADLO C[C@@]1(CO)CCC[N@@H+]1Cc1ncnn1CCF ZINC000570893487 323073558 /nfs/dbraw/zinc/07/35/58/323073558.db2.gz SSKPWOGMFIAPCL-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO C[C@@]1(CO)CCC[N@H+]1Cc1ncnn1CCF ZINC000570893487 323073559 /nfs/dbraw/zinc/07/35/59/323073559.db2.gz SSKPWOGMFIAPCL-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO CCc1nc(C[NH2+]C2(C(N)=O)CC2)cs1 ZINC000181730165 323079177 /nfs/dbraw/zinc/07/91/77/323079177.db2.gz IVJASSXTIULNNY-UHFFFAOYSA-N 1 2 225.317 0.813 20 0 BCADLO O=C(CC[C@@H]1CCOC1)NCCn1cc[nH+]c1 ZINC000531192042 323084964 /nfs/dbraw/zinc/08/49/64/323084964.db2.gz LPZXFHDUIOKAGF-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO CC(C)(C)n1[nH]cnc1=NC(=O)C[NH2+]C1CC1 ZINC000563097661 323092269 /nfs/dbraw/zinc/09/22/69/323092269.db2.gz XEVTVQFBAFIMQF-UHFFFAOYSA-N 1 2 237.307 0.146 20 0 BCADLO c1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)n[nH]1 ZINC000563158230 323096555 /nfs/dbraw/zinc/09/65/55/323096555.db2.gz OEGXQPPQWWSMQY-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)n[nH]1 ZINC000563158230 323096556 /nfs/dbraw/zinc/09/65/56/323096556.db2.gz OEGXQPPQWWSMQY-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO O=C(C[C@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000046742962 323096969 /nfs/dbraw/zinc/09/69/69/323096969.db2.gz OYWUWTYPHNOMRR-LLVKDONJSA-N 1 2 242.319 0.004 20 0 BCADLO COCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000531494565 323098669 /nfs/dbraw/zinc/09/86/69/323098669.db2.gz NYCBXBJSGJAPOV-UHFFFAOYSA-N 1 2 224.308 0.693 20 0 BCADLO COCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531494565 323098670 /nfs/dbraw/zinc/09/86/70/323098670.db2.gz NYCBXBJSGJAPOV-UHFFFAOYSA-N 1 2 224.308 0.693 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC(=O)C1 ZINC000563181384 323100513 /nfs/dbraw/zinc/10/05/13/323100513.db2.gz FYLTUEDKQFJKMP-UWVGGRQHSA-N 1 2 235.287 0.757 20 0 BCADLO CC[C@@H](C[N@@H+]1CCn2nnc(CO)c2C1)OC ZINC000563215162 323102832 /nfs/dbraw/zinc/10/28/32/323102832.db2.gz DUHITSWIUMZYGA-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO CC[C@@H](C[N@H+]1CCn2nnc(CO)c2C1)OC ZINC000563215162 323102833 /nfs/dbraw/zinc/10/28/33/323102833.db2.gz DUHITSWIUMZYGA-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccncn1 ZINC000570984809 323103044 /nfs/dbraw/zinc/10/30/44/323103044.db2.gz MAKGRJUGLNHVED-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccncn1 ZINC000570984809 323103045 /nfs/dbraw/zinc/10/30/45/323103045.db2.gz MAKGRJUGLNHVED-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO Cn1cnn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000160745409 323104627 /nfs/dbraw/zinc/10/46/27/323104627.db2.gz GNHAHMNVGIAFIJ-UHFFFAOYSA-N 1 2 229.190 0.222 20 0 BCADLO Cc1cc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)on1 ZINC000563237760 323105918 /nfs/dbraw/zinc/10/59/18/323105918.db2.gz ONVFKMXAXPECSC-JTQLQIEISA-N 1 2 248.286 0.927 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000152046998 323108020 /nfs/dbraw/zinc/10/80/20/323108020.db2.gz PAPXAWMGBCTXMN-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000152046998 323108021 /nfs/dbraw/zinc/10/80/21/323108021.db2.gz PAPXAWMGBCTXMN-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152047228 323108053 /nfs/dbraw/zinc/10/80/53/323108053.db2.gz PAPXAWMGBCTXMN-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152047228 323108054 /nfs/dbraw/zinc/10/80/54/323108054.db2.gz PAPXAWMGBCTXMN-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC000534136081 323113749 /nfs/dbraw/zinc/11/37/49/323113749.db2.gz UJIXRAKEULCLBO-UHFFFAOYSA-N 1 2 244.302 0.472 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC000534136081 323113750 /nfs/dbraw/zinc/11/37/50/323113750.db2.gz UJIXRAKEULCLBO-UHFFFAOYSA-N 1 2 244.302 0.472 20 0 BCADLO COC(=O)CCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000534314863 323116383 /nfs/dbraw/zinc/11/63/83/323116383.db2.gz IEVVWXIAPMIWJZ-GFCCVEGCSA-N 1 2 243.303 0.871 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000531853362 323116455 /nfs/dbraw/zinc/11/64/55/323116455.db2.gz LUQRWQBVLUDJRR-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000531853362 323116456 /nfs/dbraw/zinc/11/64/56/323116456.db2.gz LUQRWQBVLUDJRR-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2=CCCC2)CCO1 ZINC000531853381 323116472 /nfs/dbraw/zinc/11/64/72/323116472.db2.gz OGZTYVAOIGJIEW-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=CCCC2)CCO1 ZINC000531853381 323116473 /nfs/dbraw/zinc/11/64/73/323116473.db2.gz OGZTYVAOIGJIEW-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCNC(=O)CC1 ZINC000563420659 323124168 /nfs/dbraw/zinc/12/41/68/323124168.db2.gz KTMDEWSNJXAVPN-UHFFFAOYSA-N 1 2 220.276 0.420 20 0 BCADLO Cc1[nH]c(CN[C@@H]2CC(=O)N(C3CC3)C2)[nH+]c1C ZINC000563438656 323125629 /nfs/dbraw/zinc/12/56/29/323125629.db2.gz CRSAJOSGVHGOEM-SNVBAGLBSA-N 1 2 248.330 0.879 20 0 BCADLO Cc1[nH]c(CN[C@H]2CC(=O)N(C3CC3)C2)[nH+]c1C ZINC000563438650 323125673 /nfs/dbraw/zinc/12/56/73/323125673.db2.gz CRSAJOSGVHGOEM-JTQLQIEISA-N 1 2 248.330 0.879 20 0 BCADLO C[C@@H](C[N@@H+]1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000563628865 323132640 /nfs/dbraw/zinc/13/26/40/323132640.db2.gz IITVQZFEDLEWKC-JTQLQIEISA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H](C[N@H+]1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000563628865 323132641 /nfs/dbraw/zinc/13/26/41/323132641.db2.gz IITVQZFEDLEWKC-JTQLQIEISA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H](CNS(C)(=O)=O)Cn1cc[nH+]c1 ZINC000563663507 323134174 /nfs/dbraw/zinc/13/41/74/323134174.db2.gz QKDPBWXXVNIWQH-QMMMGPOBSA-N 1 2 217.294 0.068 20 0 BCADLO C[C@@H]1C[N@H+](CCCC(=O)N(C)C)CC[S@]1=O ZINC000571101837 323135455 /nfs/dbraw/zinc/13/54/55/323135455.db2.gz LFQYVNBBTCEWSY-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H]1C[N@@H+](CCCC(=O)N(C)C)CC[S@]1=O ZINC000571101837 323135456 /nfs/dbraw/zinc/13/54/56/323135456.db2.gz LFQYVNBBTCEWSY-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)C1CC(=O)C1 ZINC000571236603 323139157 /nfs/dbraw/zinc/13/91/57/323139157.db2.gz HHXCDPGBEYZXRN-JTQLQIEISA-N 1 2 224.304 0.518 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)C1CC(=O)C1 ZINC000571236603 323139158 /nfs/dbraw/zinc/13/91/58/323139158.db2.gz HHXCDPGBEYZXRN-JTQLQIEISA-N 1 2 224.304 0.518 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CC(=O)C1 ZINC000571236604 323139183 /nfs/dbraw/zinc/13/91/83/323139183.db2.gz HHXCDPGBEYZXRN-SNVBAGLBSA-N 1 2 224.304 0.518 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC(=O)C1 ZINC000571236604 323139184 /nfs/dbraw/zinc/13/91/84/323139184.db2.gz HHXCDPGBEYZXRN-SNVBAGLBSA-N 1 2 224.304 0.518 20 0 BCADLO CC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000571373264 323142888 /nfs/dbraw/zinc/14/28/88/323142888.db2.gz QKBMQMQMIZLYFN-NSHDSACASA-N 1 2 223.276 0.257 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)C1COC1 ZINC000571376206 323142925 /nfs/dbraw/zinc/14/29/25/323142925.db2.gz UGXZVMKLHOSXRQ-UHFFFAOYSA-N 1 2 209.249 0.130 20 0 BCADLO CCc1cnc(C[NH2+][C@@H]2COC[C@H]2OC)o1 ZINC000571401011 323143531 /nfs/dbraw/zinc/14/35/31/323143531.db2.gz KUKPIVQLBRHQMF-NXEZZACHSA-N 1 2 226.276 0.740 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCO ZINC000571417550 323144500 /nfs/dbraw/zinc/14/45/00/323144500.db2.gz RHDURNBLMJYDDI-SECBINFHSA-N 1 2 225.292 0.429 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCO ZINC000571417550 323144501 /nfs/dbraw/zinc/14/45/01/323144501.db2.gz RHDURNBLMJYDDI-SECBINFHSA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000571448081 323145177 /nfs/dbraw/zinc/14/51/77/323145177.db2.gz QKBBYUAGSVZITE-JTQLQIEISA-N 1 2 238.287 0.634 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000571448081 323145178 /nfs/dbraw/zinc/14/51/78/323145178.db2.gz QKBBYUAGSVZITE-JTQLQIEISA-N 1 2 238.287 0.634 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCSC1 ZINC000571550072 323148198 /nfs/dbraw/zinc/14/81/98/323148198.db2.gz RAPODAPFWSVLRM-SECBINFHSA-N 1 2 239.344 0.927 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000048839419 323156063 /nfs/dbraw/zinc/15/60/63/323156063.db2.gz OIUSRXJCIXPTNF-UHFFFAOYSA-N 1 2 239.275 0.557 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000048839419 323156064 /nfs/dbraw/zinc/15/60/64/323156064.db2.gz OIUSRXJCIXPTNF-UHFFFAOYSA-N 1 2 239.275 0.557 20 0 BCADLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CC(N)=O ZINC000049237279 323159323 /nfs/dbraw/zinc/15/93/23/323159323.db2.gz GIZRPPXIIKMULA-SNVBAGLBSA-N 1 2 241.335 0.051 20 0 BCADLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC000049237279 323159324 /nfs/dbraw/zinc/15/93/24/323159324.db2.gz GIZRPPXIIKMULA-SNVBAGLBSA-N 1 2 241.335 0.051 20 0 BCADLO CN(CCO)C(=O)NCCCCn1cc[nH+]c1 ZINC000535061171 323164897 /nfs/dbraw/zinc/16/48/97/323164897.db2.gz XNAAHTHXYUZCQM-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)CC ZINC000305095277 323167166 /nfs/dbraw/zinc/16/71/66/323167166.db2.gz RUNQNZFVAZFVMU-MRVPVSSYSA-N 1 2 203.282 0.689 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000305238741 323168686 /nfs/dbraw/zinc/16/86/86/323168686.db2.gz PCUPTLWJXQDZNV-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000305238741 323168687 /nfs/dbraw/zinc/16/86/87/323168687.db2.gz PCUPTLWJXQDZNV-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ncn1 ZINC000535393915 323172124 /nfs/dbraw/zinc/17/21/24/323172124.db2.gz CGJWZSHQCFSOQH-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2c(C)cnn2C)C1 ZINC000425370641 323173918 /nfs/dbraw/zinc/17/39/18/323173918.db2.gz DLEBOORKWLGQPJ-UHFFFAOYSA-N 1 2 237.303 0.723 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@@H](C)O)C1CC1 ZINC000308550478 323175347 /nfs/dbraw/zinc/17/53/47/323175347.db2.gz XIBCRGDIVREDKE-XCBNKYQSSA-N 1 2 201.266 0.299 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCCCF ZINC000563735111 323176595 /nfs/dbraw/zinc/17/65/95/323176595.db2.gz XPXQSIHZSRTXLI-UHFFFAOYSA-N 1 2 249.311 0.921 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCCCF ZINC000563735111 323176596 /nfs/dbraw/zinc/17/65/96/323176596.db2.gz XPXQSIHZSRTXLI-UHFFFAOYSA-N 1 2 249.311 0.921 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@H](C)OC)C1CC1 ZINC000308847007 323179783 /nfs/dbraw/zinc/17/97/83/323179783.db2.gz ALDSODCHNOUQES-GZMMTYOYSA-N 1 2 215.293 0.953 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC(O)C1 ZINC000563831775 323180054 /nfs/dbraw/zinc/18/00/54/323180054.db2.gz LSJUDOLFVCORLC-QMMMGPOBSA-N 1 2 221.260 0.033 20 0 BCADLO CN1CCC[C@H]1C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000563855736 323181083 /nfs/dbraw/zinc/18/10/83/323181083.db2.gz UOGOPDGIYACZIM-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO CN1CCC[C@H]1C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000563855736 323181084 /nfs/dbraw/zinc/18/10/84/323181084.db2.gz UOGOPDGIYACZIM-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO COC1(C)C[NH+](Cc2ccc(CO)o2)C1 ZINC000563869715 323181847 /nfs/dbraw/zinc/18/18/47/323181847.db2.gz BPCSSYNSXDIZAU-UHFFFAOYSA-N 1 2 211.261 0.993 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cn1cc[nH+]c1 ZINC000529787201 323188323 /nfs/dbraw/zinc/18/83/23/323188323.db2.gz LHGGURIHAGSJTN-JOYOIKCWSA-N 1 2 235.287 0.567 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](CO)O1 ZINC000191767831 323198527 /nfs/dbraw/zinc/19/85/27/323198527.db2.gz PGGLEWPUUXXOND-NXEZZACHSA-N 1 2 225.292 0.002 20 0 BCADLO COC[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000519412782 323198570 /nfs/dbraw/zinc/19/85/70/323198570.db2.gz LZCWDYSYQSUALC-LBPRGKRZSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1n[nH]cc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000536636557 323199018 /nfs/dbraw/zinc/19/90/18/323199018.db2.gz VNDACRNEGSGCFK-UHFFFAOYSA-N 1 2 248.330 0.772 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCCc2c[nH+]cn2C)CO1 ZINC000527383531 323204002 /nfs/dbraw/zinc/20/40/02/323204002.db2.gz VMYQCRWFEHANLR-UWVGGRQHSA-N 1 2 237.303 0.504 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1ncnn1C ZINC000532647232 323286663 /nfs/dbraw/zinc/28/66/63/323286663.db2.gz LRUZYQBQXLFOFM-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1ncnn1C ZINC000532647232 323286667 /nfs/dbraw/zinc/28/66/67/323286667.db2.gz LRUZYQBQXLFOFM-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000669950742 487957641 /nfs/dbraw/zinc/95/76/41/487957641.db2.gz PKKDTBNFUDRIKY-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CO[C@@H](C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000525928851 323384996 /nfs/dbraw/zinc/38/49/96/323384996.db2.gz KVEXWMKVBDTIIU-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572123388 323544199 /nfs/dbraw/zinc/54/41/99/323544199.db2.gz KQKMCNKEYLTKLG-MVWJERBFSA-N 1 2 249.314 0.475 20 0 BCADLO Cc1cccnc1CNC(=O)Cn1cc[nH+]c1 ZINC000572332993 323599706 /nfs/dbraw/zinc/59/97/06/323599706.db2.gz KOYDMCANMSMEDZ-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO COc1ccc[nH+]c1NCC(=O)N(C)OC ZINC000528038349 323744905 /nfs/dbraw/zinc/74/49/05/323744905.db2.gz SQHXMUYDQBFLEX-UHFFFAOYSA-N 1 2 225.248 0.522 20 0 BCADLO CC[C@H](O)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667247449 487961657 /nfs/dbraw/zinc/96/16/57/487961657.db2.gz DUKUVELTZUXKBD-IUCAKERBSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@H](NC(=O)N(C)CCCO)c1[nH+]ccn1C ZINC000667250281 487961809 /nfs/dbraw/zinc/96/18/09/487961809.db2.gz LAAXRZGCJRKQSU-VIFPVBQESA-N 1 2 240.307 0.505 20 0 BCADLO C[C@@H](O)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667249908 487961861 /nfs/dbraw/zinc/96/18/61/487961861.db2.gz CILUBMRVXRFSGO-SFYZADRCSA-N 1 2 226.280 0.161 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667246292 487961573 /nfs/dbraw/zinc/96/15/73/487961573.db2.gz DUKUVELTZUXKBD-RKDXNWHRSA-N 1 2 240.307 0.551 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccoc1 ZINC000123085325 324080866 /nfs/dbraw/zinc/08/08/66/324080866.db2.gz XMHCYLQGHZCUND-UHFFFAOYSA-N 1 2 205.217 0.975 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599052 324114450 /nfs/dbraw/zinc/11/44/50/324114450.db2.gz RFGDZUBTWJTAJD-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000521204174 324179276 /nfs/dbraw/zinc/17/92/76/324179276.db2.gz VAGOAJLGFSITDG-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000521204174 324179279 /nfs/dbraw/zinc/17/92/79/324179279.db2.gz VAGOAJLGFSITDG-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000521204174 324179280 /nfs/dbraw/zinc/17/92/80/324179280.db2.gz VAGOAJLGFSITDG-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000521204174 324179283 /nfs/dbraw/zinc/17/92/83/324179283.db2.gz VAGOAJLGFSITDG-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529855577 324410455 /nfs/dbraw/zinc/41/04/55/324410455.db2.gz ZKMZGGPODVZXHZ-KOLCDFICSA-N 1 2 223.276 0.567 20 0 BCADLO CCN(CCO)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667255283 487963044 /nfs/dbraw/zinc/96/30/44/487963044.db2.gz MEUUTZCRCYLPAL-SECBINFHSA-N 1 2 240.307 0.505 20 0 BCADLO COC[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000529925374 324434759 /nfs/dbraw/zinc/43/47/59/324434759.db2.gz SXSVGLUZVANKJI-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO Cc1ncc([C@@H](C)[N@H+]2CCNC(=O)CC2)c(C)n1 ZINC000682439207 487964920 /nfs/dbraw/zinc/96/49/20/487964920.db2.gz OIWRFLKBPNLFGH-SNVBAGLBSA-N 1 2 248.330 0.976 20 0 BCADLO Cc1ncc([C@@H](C)[N@@H+]2CCNC(=O)CC2)c(C)n1 ZINC000682439207 487964916 /nfs/dbraw/zinc/96/49/16/487964916.db2.gz OIWRFLKBPNLFGH-SNVBAGLBSA-N 1 2 248.330 0.976 20 0 BCADLO Cc1nnccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000677091729 487966158 /nfs/dbraw/zinc/96/61/58/487966158.db2.gz MRHNEXMETAVGBB-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1nnccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000677091729 487966161 /nfs/dbraw/zinc/96/61/61/487966161.db2.gz MRHNEXMETAVGBB-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CCOCCC(=O)NCCc1c[nH+]cn1C ZINC000541551300 324964117 /nfs/dbraw/zinc/96/41/17/324964117.db2.gz KJQCWICMZUWVKQ-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000541905243 324993315 /nfs/dbraw/zinc/99/33/15/324993315.db2.gz LGBVSPDWQYDHEY-SECBINFHSA-N 1 2 246.274 0.306 20 0 BCADLO CCn1ccnc1C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000542305982 325020238 /nfs/dbraw/zinc/02/02/38/325020238.db2.gz AIITYIHBFAGAAI-UHFFFAOYSA-N 1 2 247.302 0.997 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)no1 ZINC000542482521 325030605 /nfs/dbraw/zinc/03/06/05/325030605.db2.gz VBDOKHCSTIWVDV-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO CC1CCC(O)(C[NH+]2CCS(=O)CC2)CC1 ZINC000130437539 325051686 /nfs/dbraw/zinc/05/16/86/325051686.db2.gz QWDZVEFLEZHHEO-UHFFFAOYSA-N 1 2 245.388 0.992 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCOCC1CC1 ZINC000130979115 325105646 /nfs/dbraw/zinc/10/56/46/325105646.db2.gz GAAJLNAELKXQQS-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCOCC1CC1 ZINC000130979115 325105653 /nfs/dbraw/zinc/10/56/53/325105653.db2.gz GAAJLNAELKXQQS-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nncn1C ZINC000543835945 325116802 /nfs/dbraw/zinc/11/68/02/325116802.db2.gz DEPXECKRQICROV-LBPRGKRZSA-N 1 2 246.314 0.947 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H](C)NC(C)=O ZINC000131392130 325145290 /nfs/dbraw/zinc/14/52/90/325145290.db2.gz VUGYFSLWZNRFHL-ZETCQYMHSA-N 1 2 237.259 0.553 20 0 BCADLO O=C(Nc1ccc2c(c1)CCN2)[C@H]1COCC[NH2+]1 ZINC000131438311 325150829 /nfs/dbraw/zinc/15/08/29/325150829.db2.gz YBPHXCVRCIHBGT-GFCCVEGCSA-N 1 2 247.298 0.582 20 0 BCADLO CC1(C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131576251 325165218 /nfs/dbraw/zinc/16/52/18/325165218.db2.gz QXQIPKZNGKOMGI-JTQLQIEISA-N 1 2 226.320 0.481 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@]2(CO)CCOC2)o1 ZINC000546601154 325291547 /nfs/dbraw/zinc/29/15/47/325291547.db2.gz JCDUZAITLBLUKS-LBPRGKRZSA-N 1 2 240.303 0.820 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@]2(CO)CCOC2)o1 ZINC000546601154 325291548 /nfs/dbraw/zinc/29/15/48/325291548.db2.gz JCDUZAITLBLUKS-LBPRGKRZSA-N 1 2 240.303 0.820 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@@]2(CO)CCOC2)o1 ZINC000546601153 325291530 /nfs/dbraw/zinc/29/15/30/325291530.db2.gz JCDUZAITLBLUKS-GFCCVEGCSA-N 1 2 240.303 0.820 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@@]2(CO)CCOC2)o1 ZINC000546601153 325291532 /nfs/dbraw/zinc/29/15/32/325291532.db2.gz JCDUZAITLBLUKS-GFCCVEGCSA-N 1 2 240.303 0.820 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccno1 ZINC000546640099 325297286 /nfs/dbraw/zinc/29/72/86/325297286.db2.gz QUAZGLAGZLXLPK-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccno1 ZINC000546640099 325297288 /nfs/dbraw/zinc/29/72/88/325297288.db2.gz QUAZGLAGZLXLPK-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO CCO[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000075880999 325319827 /nfs/dbraw/zinc/31/98/27/325319827.db2.gz SGDWNULSBDXWPT-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)Cc1ccco1 ZINC000547482385 325361495 /nfs/dbraw/zinc/36/14/95/325361495.db2.gz YHGVPLMERQUOIT-UHFFFAOYSA-N 1 2 233.271 0.915 20 0 BCADLO Cc1cnn(CC(=O)NCCc2c[nH+]cn2C)c1 ZINC000547482531 325361610 /nfs/dbraw/zinc/36/16/10/325361610.db2.gz XSQFPHNYYTZICL-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO CCc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)no1 ZINC000547505596 325365696 /nfs/dbraw/zinc/36/56/96/325365696.db2.gz GRDGJGQQTUUHFR-UHFFFAOYSA-N 1 2 247.258 0.526 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1c[nH+]cn1C ZINC000547539433 325370919 /nfs/dbraw/zinc/37/09/19/325370919.db2.gz RRXZKCHOIBWDJP-SECBINFHSA-N 1 2 225.292 0.240 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000547539569 325371235 /nfs/dbraw/zinc/37/12/35/325371235.db2.gz TUQBIYZJTJAKNK-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCO1 ZINC000547540195 325371615 /nfs/dbraw/zinc/37/16/15/325371615.db2.gz BOWHGFXENFXMTA-JTQLQIEISA-N 1 2 223.276 0.258 20 0 BCADLO Cc1nc(N2CC[C@H]([C@@H]3CCOC3)C2)nc(N)[nH+]1 ZINC000631177202 487967571 /nfs/dbraw/zinc/96/75/71/487967571.db2.gz IENGJULIWUXKIZ-VHSXEESVSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]([C@@H]3CCOC3)C2)[nH+]1 ZINC000631177202 487967575 /nfs/dbraw/zinc/96/75/75/487967575.db2.gz IENGJULIWUXKIZ-VHSXEESVSA-N 1 2 249.318 0.625 20 0 BCADLO COC1(C(=O)NCCc2c[nH+]cn2C)CCC1 ZINC000548460088 325460261 /nfs/dbraw/zinc/46/02/61/325460261.db2.gz PGSCBQGMAMSDHU-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO COC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000548813903 325486205 /nfs/dbraw/zinc/48/62/05/325486205.db2.gz QDTSOBCVHPPRAI-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000682461316 487968368 /nfs/dbraw/zinc/96/83/68/487968368.db2.gz ONIUQCLCSPEZHA-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO CCO[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000682461316 487968374 /nfs/dbraw/zinc/96/83/74/487968374.db2.gz ONIUQCLCSPEZHA-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO O=C(Cc1ccc(O)cc1)NCCn1cc[nH+]c1 ZINC000082284403 325535970 /nfs/dbraw/zinc/53/59/70/325535970.db2.gz LHBGVARWHREEMK-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N(CCO)CC1CC1 ZINC000553170639 325679587 /nfs/dbraw/zinc/67/95/87/325679587.db2.gz PQFOSIJLHUWJAG-UHFFFAOYSA-N 1 2 237.303 0.194 20 0 BCADLO C(c1nnnn1C1CCOCC1)[NH+]1CCCC1 ZINC000555780233 325770182 /nfs/dbraw/zinc/77/01/82/325770182.db2.gz GNLUVFLYBPJSCZ-UHFFFAOYSA-N 1 2 237.307 0.620 20 0 BCADLO Cc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nnn1C ZINC000565108475 325859162 /nfs/dbraw/zinc/85/91/62/325859162.db2.gz YUGVMNNUYNUIAU-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO c1cnc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000566046862 325987320 /nfs/dbraw/zinc/98/73/20/325987320.db2.gz SBCSLLDRRRWQRB-UHFFFAOYSA-N 1 2 234.303 0.753 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC000566247331 326023521 /nfs/dbraw/zinc/02/35/21/326023521.db2.gz NXBRSNUTGQVIMZ-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cncs1 ZINC000566247331 326023522 /nfs/dbraw/zinc/02/35/22/326023522.db2.gz NXBRSNUTGQVIMZ-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CN(CC1(CO)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000566292023 326029710 /nfs/dbraw/zinc/02/97/10/326029710.db2.gz TZTCCEQDSNZSIE-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO COC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566320965 326032891 /nfs/dbraw/zinc/03/28/91/326032891.db2.gz ZZDLYFZSNXDBCC-MRVPVSSYSA-N 1 2 225.248 0.123 20 0 BCADLO C[C@@H](CC(=O)N(CCO)C1CC1)n1cc[nH+]c1 ZINC000566331218 326034249 /nfs/dbraw/zinc/03/42/49/326034249.db2.gz NXAQMBLNHCANKD-JTQLQIEISA-N 1 2 237.303 0.818 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(O)CCC1 ZINC000672147342 487971458 /nfs/dbraw/zinc/97/14/58/487971458.db2.gz LDNPZIRIHCEFMR-VIFPVBQESA-N 1 2 235.287 0.229 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NCCCO)ccn12 ZINC000566432459 326046427 /nfs/dbraw/zinc/04/64/27/326046427.db2.gz DPWHLLSWXNCYIK-UHFFFAOYSA-N 1 2 233.271 0.755 20 0 BCADLO CCn1ccnc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000566471034 326052754 /nfs/dbraw/zinc/05/27/54/326052754.db2.gz WRHPJVCIVCDQJK-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO COC[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000566697237 326075869 /nfs/dbraw/zinc/07/58/69/326075869.db2.gz DNALKPAYQKDGMG-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO COC[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000566697237 326075872 /nfs/dbraw/zinc/07/58/72/326075872.db2.gz DNALKPAYQKDGMG-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO COCC[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000566919747 326094553 /nfs/dbraw/zinc/09/45/53/326094553.db2.gz VKMRVQIXZYKRCL-SNVBAGLBSA-N 1 2 225.292 0.672 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CC2 ZINC000567105370 326117075 /nfs/dbraw/zinc/11/70/75/326117075.db2.gz DFMYQHBASOCBNU-MRVPVSSYSA-N 1 2 220.276 0.772 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC12CC2 ZINC000567105372 326117253 /nfs/dbraw/zinc/11/72/53/326117253.db2.gz DFMYQHBASOCBNU-QMMMGPOBSA-N 1 2 220.276 0.772 20 0 BCADLO C[C@H](C(=O)NCC(=O)C1CC1)[NH+]1CC(C)C1 ZINC000567288062 326151788 /nfs/dbraw/zinc/15/17/88/326151788.db2.gz DATJXDWFKBMROG-SECBINFHSA-N 1 2 224.304 0.422 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000567302099 326159326 /nfs/dbraw/zinc/15/93/26/326159326.db2.gz ZRWOVOBNLDEWJU-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000154735664 326162556 /nfs/dbraw/zinc/16/25/56/326162556.db2.gz AYTLRRGZGAMYST-UHFFFAOYSA-N 1 2 238.335 0.557 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000154735664 326162558 /nfs/dbraw/zinc/16/25/58/326162558.db2.gz AYTLRRGZGAMYST-UHFFFAOYSA-N 1 2 238.335 0.557 20 0 BCADLO C[C@H]1C[N@H+](CCNc2ncccn2)CCO1 ZINC000309788022 326168514 /nfs/dbraw/zinc/16/85/14/326168514.db2.gz ONLBEJZRBGMSIZ-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2ncccn2)CCO1 ZINC000309788022 326168515 /nfs/dbraw/zinc/16/85/15/326168515.db2.gz ONLBEJZRBGMSIZ-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1[C@H](CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000567359038 326173750 /nfs/dbraw/zinc/17/37/50/326173750.db2.gz GYDKRWIBPUSNHA-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567442704 326192555 /nfs/dbraw/zinc/19/25/55/326192555.db2.gz OFTFQKPCRLNQGE-JGPRNRPPSA-N 1 2 234.303 0.981 20 0 BCADLO Cc1nc(N2CCn3nncc3C2)cc[nH+]1 ZINC000567486444 326202551 /nfs/dbraw/zinc/20/25/51/326202551.db2.gz KEIZPOAUCBQCBF-UHFFFAOYSA-N 1 2 216.248 0.397 20 0 BCADLO COCCc1cc(O)ccc1[NH2+]CCC(N)=O ZINC000567606503 326227835 /nfs/dbraw/zinc/22/78/35/326227835.db2.gz PSRVCSUHELLIOJ-UHFFFAOYSA-N 1 2 238.287 0.868 20 0 BCADLO Nc1ccc(C(=O)NCCCn2cc[nH+]c2)nc1 ZINC000156773540 326241701 /nfs/dbraw/zinc/24/17/01/326241701.db2.gz DDEWAPLPWJHRGX-UHFFFAOYSA-N 1 2 245.286 0.680 20 0 BCADLO CSC[C@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000567678196 326243937 /nfs/dbraw/zinc/24/39/37/326243937.db2.gz MXKMFPQCKOUHDN-SECBINFHSA-N 1 2 215.322 0.532 20 0 BCADLO O=C1N=NCN1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000567748003 326254465 /nfs/dbraw/zinc/25/44/65/326254465.db2.gz HDWMALLDFFHDBF-UHFFFAOYSA-N 1 2 248.290 0.544 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000567748003 326254466 /nfs/dbraw/zinc/25/44/66/326254466.db2.gz HDWMALLDFFHDBF-UHFFFAOYSA-N 1 2 248.290 0.544 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCn2nncc2C1 ZINC000567752683 326255447 /nfs/dbraw/zinc/25/54/47/326255447.db2.gz UANDFIINGUEKGN-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCn2nncc2C1 ZINC000567752683 326255449 /nfs/dbraw/zinc/25/54/49/326255449.db2.gz UANDFIINGUEKGN-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO CCCNC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157356321 326270398 /nfs/dbraw/zinc/27/03/98/326270398.db2.gz HBPSHJBAHJXFMS-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157356321 326270400 /nfs/dbraw/zinc/27/04/00/326270400.db2.gz HBPSHJBAHJXFMS-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO OC1(CC[N@@H+]2CCn3nncc3C2)CC1 ZINC000567912469 326282319 /nfs/dbraw/zinc/28/23/19/326282319.db2.gz KISNROXTFNJTDW-UHFFFAOYSA-N 1 2 208.265 0.009 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567976952 326290217 /nfs/dbraw/zinc/29/02/17/326290217.db2.gz WHCVCZQERNKRKG-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC=CC1 ZINC000568018806 326296515 /nfs/dbraw/zinc/29/65/15/326296515.db2.gz GHULWQGFGUIABU-UHFFFAOYSA-N 1 2 201.233 0.740 20 0 BCADLO [NH3+]CC(F)(F)CC(=O)Nc1ncccc1O ZINC000568102508 326308414 /nfs/dbraw/zinc/30/84/14/326308414.db2.gz ZGCLOCGTTRUXLQ-UHFFFAOYSA-N 1 2 231.202 0.710 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568106419 326309229 /nfs/dbraw/zinc/30/92/29/326309229.db2.gz PTEAXCDFGIZAAZ-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568106419 326309231 /nfs/dbraw/zinc/30/92/31/326309231.db2.gz PTEAXCDFGIZAAZ-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO Cn1cc(CNC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000568189421 326323039 /nfs/dbraw/zinc/32/30/39/326323039.db2.gz HVFYEAUWAOADNK-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(O)C1 ZINC000568198194 326324378 /nfs/dbraw/zinc/32/43/78/326324378.db2.gz VUZJNTYQMZFCRR-JOYOIKCWSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(O)C1 ZINC000568198194 326324381 /nfs/dbraw/zinc/32/43/81/326324381.db2.gz VUZJNTYQMZFCRR-JOYOIKCWSA-N 1 2 237.303 0.572 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC(CF)CF)C1 ZINC000568215203 326327633 /nfs/dbraw/zinc/32/76/33/326327633.db2.gz OFPBHJNOCKNUDB-UHFFFAOYSA-N 1 2 220.263 0.752 20 0 BCADLO CC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)NC ZINC000568273041 326339435 /nfs/dbraw/zinc/33/94/35/326339435.db2.gz IBQRKXMSKPOYPU-SECBINFHSA-N 1 2 224.308 0.641 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC(CF)CF ZINC000568520875 326362512 /nfs/dbraw/zinc/36/25/12/326362512.db2.gz BNHVBDOKEVUPHO-UHFFFAOYSA-N 1 2 203.192 0.307 20 0 BCADLO CC[C@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000568740899 326374166 /nfs/dbraw/zinc/37/41/66/326374166.db2.gz KJCVPVZEXOSZTP-QMMMGPOBSA-N 1 2 211.265 0.808 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000568752933 326374953 /nfs/dbraw/zinc/37/49/53/326374953.db2.gz VPZGWCGCTDTUQP-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)CCC(N)=O ZINC000569018834 326386978 /nfs/dbraw/zinc/38/69/78/326386978.db2.gz DGTHNDDSBXOVCD-UHFFFAOYSA-N 1 2 208.265 0.405 20 0 BCADLO CN(Cc1nccs1)C(=O)Cn1cc[nH+]c1 ZINC000569050184 326387955 /nfs/dbraw/zinc/38/79/55/326387955.db2.gz IGNQFSCMBYYAJG-UHFFFAOYSA-N 1 2 236.300 0.998 20 0 BCADLO CCCCn1nnnc1C[N@H+](CC)[C@H](C)CO ZINC000569062274 326388321 /nfs/dbraw/zinc/38/83/21/326388321.db2.gz HKCQEDQNWUOSRU-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CC)[C@H](C)CO ZINC000569062274 326388323 /nfs/dbraw/zinc/38/83/23/326388323.db2.gz HKCQEDQNWUOSRU-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCCc1noc(C[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000569100345 326389834 /nfs/dbraw/zinc/38/98/34/326389834.db2.gz DJAIVJXQXVCQLA-RKDXNWHRSA-N 1 2 241.291 0.526 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC12CC2 ZINC000569212597 326394484 /nfs/dbraw/zinc/39/44/84/326394484.db2.gz WAQIAKWBAGIGRB-SECBINFHSA-N 1 2 220.276 0.735 20 0 BCADLO C[C@@H](CC(=O)NCc1ccn(C)n1)n1cc[nH+]c1 ZINC000569227484 326396220 /nfs/dbraw/zinc/39/62/20/326396220.db2.gz UFMXCKCINVYKOQ-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682513647 487974271 /nfs/dbraw/zinc/97/42/71/487974271.db2.gz PYPQEEGMDDQRAH-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682518511 487975025 /nfs/dbraw/zinc/97/50/25/487975025.db2.gz CPEVFXVUXIGHAO-VIFPVBQESA-N 1 2 235.287 0.541 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21C(=O)NCCn1cc[nH+]c1 ZINC000666353079 487979540 /nfs/dbraw/zinc/97/95/40/487979540.db2.gz LPEGAWMBKHIPFX-ZWNOBZJWSA-N 1 2 249.314 0.814 20 0 BCADLO CC[C@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544924 487983722 /nfs/dbraw/zinc/98/37/22/487983722.db2.gz YRTKAWHRTCWYHP-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544924 487983724 /nfs/dbraw/zinc/98/37/24/487983724.db2.gz YRTKAWHRTCWYHP-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309598612 487993939 /nfs/dbraw/zinc/99/39/39/487993939.db2.gz WYVNEVYGXAJSCP-CBAPKCEASA-N 1 2 222.292 0.647 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1(CO)CC1 ZINC000677192584 487996262 /nfs/dbraw/zinc/99/62/62/487996262.db2.gz XASAQWUGXFNHTB-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000668604923 487997975 /nfs/dbraw/zinc/99/79/75/487997975.db2.gz XDLQUQVSCVZAKW-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO CCN1CC[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000677197246 488001446 /nfs/dbraw/zinc/00/14/46/488001446.db2.gz YERSEMIBXDVRIM-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCN1CC[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000677197246 488001448 /nfs/dbraw/zinc/00/14/48/488001448.db2.gz YERSEMIBXDVRIM-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602915246 488002802 /nfs/dbraw/zinc/00/28/02/488002802.db2.gz KVURTXLLSBENBX-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602915246 488002808 /nfs/dbraw/zinc/00/28/08/488002808.db2.gz KVURTXLLSBENBX-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)CC1CC1 ZINC000677237719 488004237 /nfs/dbraw/zinc/00/42/37/488004237.db2.gz YKURROQTMYYDGQ-SECBINFHSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1cnn(C)c1NC(=O)NCc1[nH+]ccn1C ZINC000667434439 488005990 /nfs/dbraw/zinc/00/59/90/488005990.db2.gz TXQFOGXEXZWDFS-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@H](C)C(N)=O)CC2 ZINC000074450701 488006933 /nfs/dbraw/zinc/00/69/33/488006933.db2.gz ZMHQMWKSGQBRHO-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1cccc2c1C[N@H+]([C@H](C)C(N)=O)CC2 ZINC000074450701 488006937 /nfs/dbraw/zinc/00/69/37/488006937.db2.gz ZMHQMWKSGQBRHO-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1cccc2c1C[N@H+](CC(N)=O)CC2 ZINC000074450691 488007450 /nfs/dbraw/zinc/00/74/50/488007450.db2.gz KGKRHEZROCKMHP-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO COc1cccc2c1C[N@@H+](CC(N)=O)CC2 ZINC000074450691 488007455 /nfs/dbraw/zinc/00/74/55/488007455.db2.gz KGKRHEZROCKMHP-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO C[C@](O)(CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000677300236 488010750 /nfs/dbraw/zinc/01/07/50/488010750.db2.gz ZKZPNWYUZUPMQG-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2cccnc2)C1=O ZINC000682676848 488012156 /nfs/dbraw/zinc/01/21/56/488012156.db2.gz CXWJYCVXEQOCSQ-MWLCHTKSSA-N 1 2 235.287 0.895 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000159277131 488019078 /nfs/dbraw/zinc/01/90/78/488019078.db2.gz BULVAGVUXLJAKQ-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccncc1 ZINC000159277131 488019082 /nfs/dbraw/zinc/01/90/82/488019082.db2.gz BULVAGVUXLJAKQ-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO CN1CC[N@H+](Cc2ccc(CO)o2)CCC1=O ZINC000668620834 488021663 /nfs/dbraw/zinc/02/16/63/488021663.db2.gz VGXMUMITGDGLOO-UHFFFAOYSA-N 1 2 238.287 0.436 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(CO)o2)CCC1=O ZINC000668620834 488021669 /nfs/dbraw/zinc/02/16/69/488021669.db2.gz VGXMUMITGDGLOO-UHFFFAOYSA-N 1 2 238.287 0.436 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1c[nH+]cn1CC ZINC000417763734 488022828 /nfs/dbraw/zinc/02/28/28/488022828.db2.gz KZDJQIJXLXXKOH-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO Cc1cc(N2C[C@H](O)C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000674412529 488028533 /nfs/dbraw/zinc/02/85/33/488028533.db2.gz QGVOAUXJCLWCHG-PHIMTYICSA-N 1 2 249.314 0.594 20 0 BCADLO Cc1nnc(CC(=O)Nc2cc[nH+]c(C)c2)[nH]1 ZINC000668636146 488034659 /nfs/dbraw/zinc/03/46/59/488034659.db2.gz RMFFEOYFNBGTKW-UHFFFAOYSA-N 1 2 231.259 0.420 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000682768387 488035454 /nfs/dbraw/zinc/03/54/54/488035454.db2.gz ZLOCKNUWUQCSEM-SECBINFHSA-N 1 2 209.293 0.929 20 0 BCADLO O=C(C[C@@H]1CC(=O)N1)Nc1ccc2[nH+]ccn2c1 ZINC000668637958 488036357 /nfs/dbraw/zinc/03/63/57/488036357.db2.gz WSPFEKWHIDLJGP-SECBINFHSA-N 1 2 244.254 0.551 20 0 BCADLO CCN(CC(N)=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000682778941 488038950 /nfs/dbraw/zinc/03/89/50/488038950.db2.gz UOFJQHZQTRUCEC-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2cccc(C)c2n1 ZINC000682778941 488038954 /nfs/dbraw/zinc/03/89/54/488038954.db2.gz UOFJQHZQTRUCEC-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2cccc(C)c2n1 ZINC000682778941 488038960 /nfs/dbraw/zinc/03/89/60/488038960.db2.gz UOFJQHZQTRUCEC-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cc(C)ncn2)c[nH+]1 ZINC000677465723 488042725 /nfs/dbraw/zinc/04/27/25/488042725.db2.gz XHXUBPDUSOIXHR-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC1(CO)CC1 ZINC000682830752 488050724 /nfs/dbraw/zinc/05/07/24/488050724.db2.gz FFLHNNWODAREQZ-UHFFFAOYSA-N 1 2 237.303 0.241 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1nc[nH]n1 ZINC000682841218 488051733 /nfs/dbraw/zinc/05/17/33/488051733.db2.gz KLMYXPQBBCMWFU-UHFFFAOYSA-N 1 2 220.236 0.110 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)CC2)n1C ZINC000667599226 488056068 /nfs/dbraw/zinc/05/60/68/488056068.db2.gz PBZOEMKYVSCSJC-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)CC2)n1C ZINC000667599226 488056070 /nfs/dbraw/zinc/05/60/70/488056070.db2.gz PBZOEMKYVSCSJC-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2cnco2)CCO1 ZINC000677530844 488066101 /nfs/dbraw/zinc/06/61/01/488066101.db2.gz OZNYDXXUYQOIPB-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnco2)CCO1 ZINC000677530844 488066104 /nfs/dbraw/zinc/06/61/04/488066104.db2.gz OZNYDXXUYQOIPB-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(N)=O)cc1 ZINC000221935972 488072599 /nfs/dbraw/zinc/07/25/99/488072599.db2.gz MEDHRHHVMWBILZ-LLVKDONJSA-N 1 2 220.272 0.755 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@@H]2C(N)=O)cc1 ZINC000221935972 488072605 /nfs/dbraw/zinc/07/26/05/488072605.db2.gz MEDHRHHVMWBILZ-LLVKDONJSA-N 1 2 220.272 0.755 20 0 BCADLO CC[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCOC1 ZINC000682978193 488077849 /nfs/dbraw/zinc/07/78/49/488077849.db2.gz JPSHRUPENHLUMB-GFCCVEGCSA-N 1 2 237.303 0.648 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cn[nH]c1 ZINC000682999310 488081968 /nfs/dbraw/zinc/08/19/68/488081968.db2.gz IQLCGMMRURPZIU-MRVPVSSYSA-N 1 2 218.264 0.578 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cn[nH]c1 ZINC000682999310 488081972 /nfs/dbraw/zinc/08/19/72/488081972.db2.gz IQLCGMMRURPZIU-MRVPVSSYSA-N 1 2 218.264 0.578 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CC(=O)N1 ZINC000667679538 488084712 /nfs/dbraw/zinc/08/47/12/488084712.db2.gz HTVAQPFXCYZLMI-ZETCQYMHSA-N 1 2 235.243 0.307 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C[C@@H](C)O)s1 ZINC000685589635 488086261 /nfs/dbraw/zinc/08/62/61/488086261.db2.gz AJJMEFCMMGODRH-MRVPVSSYSA-N 1 2 245.348 0.276 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C[C@@H](C)O)s1 ZINC000685589635 488086264 /nfs/dbraw/zinc/08/62/64/488086264.db2.gz AJJMEFCMMGODRH-MRVPVSSYSA-N 1 2 245.348 0.276 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000683013634 488091532 /nfs/dbraw/zinc/09/15/32/488091532.db2.gz KLWYBAUWSLKCTD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000683013634 488091526 /nfs/dbraw/zinc/09/15/26/488091526.db2.gz KLWYBAUWSLKCTD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO c1[nH+]cn2c1CN(C[C@H]1COCCO1)CC2 ZINC000660585313 488093913 /nfs/dbraw/zinc/09/39/13/488093913.db2.gz YJSPUQCCEVIBHP-NSHDSACASA-N 1 2 223.276 0.114 20 0 BCADLO C[N@H+](Cc1ccnn1CC1CC1)[C@@H]1CCNC1=O ZINC000667710488 488096929 /nfs/dbraw/zinc/09/69/29/488096929.db2.gz GMFLJFJCRBDFJE-GFCCVEGCSA-N 1 2 248.330 0.613 20 0 BCADLO C[N@@H+](Cc1ccnn1CC1CC1)[C@@H]1CCNC1=O ZINC000667710488 488096934 /nfs/dbraw/zinc/09/69/34/488096934.db2.gz GMFLJFJCRBDFJE-GFCCVEGCSA-N 1 2 248.330 0.613 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)nn1C ZINC000677715096 488096975 /nfs/dbraw/zinc/09/69/75/488096975.db2.gz NRVYYYBXDHTRIE-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)nn1C ZINC000677715096 488096982 /nfs/dbraw/zinc/09/69/82/488096982.db2.gz NRVYYYBXDHTRIE-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO CC[N@H+](CCOCCO)Cc1coc(C)n1 ZINC000310532872 488099584 /nfs/dbraw/zinc/09/95/84/488099584.db2.gz ZUDJNCPTANWMJJ-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1coc(C)n1 ZINC000310532872 488099590 /nfs/dbraw/zinc/09/95/90/488099590.db2.gz ZUDJNCPTANWMJJ-UHFFFAOYSA-N 1 2 228.292 0.814 20 0 BCADLO CCn1ccc(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC000683028697 488101119 /nfs/dbraw/zinc/10/11/19/488101119.db2.gz HCWWMGHCEJRJGK-UHFFFAOYSA-N 1 2 249.318 0.562 20 0 BCADLO CCn1ccc(C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC000683028697 488101124 /nfs/dbraw/zinc/10/11/24/488101124.db2.gz HCWWMGHCEJRJGK-UHFFFAOYSA-N 1 2 249.318 0.562 20 0 BCADLO COCC1([N@H+](C)Cc2nc(C)no2)CC1 ZINC000677728857 488106079 /nfs/dbraw/zinc/10/60/79/488106079.db2.gz MZWSEOFXJJVSIO-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COCC1([N@@H+](C)Cc2nc(C)no2)CC1 ZINC000677728857 488106083 /nfs/dbraw/zinc/10/60/83/488106083.db2.gz MZWSEOFXJJVSIO-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677730212 488108030 /nfs/dbraw/zinc/10/80/30/488108030.db2.gz DIHKXXKBWVIMGL-ZCFIWIBFSA-N 1 2 204.220 0.591 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000677737141 488115297 /nfs/dbraw/zinc/11/52/97/488115297.db2.gz KSVQQFIAULTPNS-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000677737141 488115300 /nfs/dbraw/zinc/11/53/00/488115300.db2.gz KSVQQFIAULTPNS-IUCAKERBSA-N 1 2 239.275 0.316 20 0 BCADLO CCOC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000677761652 488118904 /nfs/dbraw/zinc/11/89/04/488118904.db2.gz UATYVVSGRCQXRQ-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)nn1 ZINC000677762574 488119170 /nfs/dbraw/zinc/11/91/70/488119170.db2.gz NDJQRQZREBTCHY-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)nn1 ZINC000677762574 488119175 /nfs/dbraw/zinc/11/91/75/488119175.db2.gz NDJQRQZREBTCHY-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO Cn1cc(C[N@H+](CC(N)=O)C2CCCC2)nn1 ZINC000677764660 488120678 /nfs/dbraw/zinc/12/06/78/488120678.db2.gz VJNAEMQGNYDNIT-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(C[N@@H+](CC(N)=O)C2CCCC2)nn1 ZINC000677764660 488120681 /nfs/dbraw/zinc/12/06/81/488120681.db2.gz VJNAEMQGNYDNIT-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO C[C@@H](C(=O)NC1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000677802666 488125884 /nfs/dbraw/zinc/12/58/84/488125884.db2.gz QXPBMTIGDAALFL-QMMMGPOBSA-N 1 2 222.292 0.509 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000674718479 488132464 /nfs/dbraw/zinc/13/24/64/488132464.db2.gz VKDGHAAPABFNLD-UHFFFAOYSA-N 1 2 233.275 0.934 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000668790352 487541001 /nfs/dbraw/zinc/54/10/01/487541001.db2.gz MCSLRBCBCFETFT-UHFFFAOYSA-N 1 2 232.287 0.741 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000668790352 487541005 /nfs/dbraw/zinc/54/10/05/487541005.db2.gz MCSLRBCBCFETFT-UHFFFAOYSA-N 1 2 232.287 0.741 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1cnns1 ZINC000653717392 487542134 /nfs/dbraw/zinc/54/21/34/487542134.db2.gz YDAUAFSKSBBURV-JTQLQIEISA-N 1 2 238.316 0.393 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1cnns1 ZINC000653717392 487542140 /nfs/dbraw/zinc/54/21/40/487542140.db2.gz YDAUAFSKSBBURV-JTQLQIEISA-N 1 2 238.316 0.393 20 0 BCADLO CCn1nnc(C)c1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668790776 487542593 /nfs/dbraw/zinc/54/25/93/487542593.db2.gz SHQRNUIFFMNDLJ-UHFFFAOYSA-N 1 2 247.306 0.283 20 0 BCADLO CCn1nnc(C)c1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668790776 487542600 /nfs/dbraw/zinc/54/26/00/487542600.db2.gz SHQRNUIFFMNDLJ-UHFFFAOYSA-N 1 2 247.306 0.283 20 0 BCADLO Fc1cnccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668790734 487543025 /nfs/dbraw/zinc/54/30/25/487543025.db2.gz QYXFAKGQKVEINJ-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO Fc1cnccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668790734 487543029 /nfs/dbraw/zinc/54/30/29/487543029.db2.gz QYXFAKGQKVEINJ-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668790918 487544168 /nfs/dbraw/zinc/54/41/68/487544168.db2.gz GIBGLHKNHPYYLF-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668790918 487544174 /nfs/dbraw/zinc/54/41/74/487544174.db2.gz GIBGLHKNHPYYLF-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000685562413 487545522 /nfs/dbraw/zinc/54/55/22/487545522.db2.gz DZOYEPZSHUBIKV-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCNC(=O)CC2)o1 ZINC000685562413 487545526 /nfs/dbraw/zinc/54/55/26/487545526.db2.gz DZOYEPZSHUBIKV-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791514 487545996 /nfs/dbraw/zinc/54/59/96/487545996.db2.gz NSAVJDGCPMCEOG-UHFFFAOYSA-N 1 2 246.318 0.659 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668791514 487546003 /nfs/dbraw/zinc/54/60/03/487546003.db2.gz NSAVJDGCPMCEOG-UHFFFAOYSA-N 1 2 246.318 0.659 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000685566757 487548204 /nfs/dbraw/zinc/54/82/04/487548204.db2.gz HKNHZKIAQWRGPS-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000685566757 487548210 /nfs/dbraw/zinc/54/82/10/487548210.db2.gz HKNHZKIAQWRGPS-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)CC(=O)N1CCCC1 ZINC000674236425 487530243 /nfs/dbraw/zinc/53/02/43/487530243.db2.gz VDYLRBDANACMPB-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000674236425 487530247 /nfs/dbraw/zinc/53/02/47/487530247.db2.gz VDYLRBDANACMPB-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NC1COC1 ZINC000094710745 487551334 /nfs/dbraw/zinc/55/13/34/487551334.db2.gz NIFUGDBNLBDSIQ-UHFFFAOYSA-N 1 2 231.255 0.392 20 0 BCADLO O=C(CCn1cccc1)NCCn1cc[nH+]c1 ZINC000673638819 487553903 /nfs/dbraw/zinc/55/39/03/487553903.db2.gz LDKGCZKSLGTVGG-UHFFFAOYSA-N 1 2 232.287 0.891 20 0 BCADLO CCn1nccc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000685468876 487531895 /nfs/dbraw/zinc/53/18/95/487531895.db2.gz DRWSBQKUUOWBNH-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000685468876 487531901 /nfs/dbraw/zinc/53/19/01/487531901.db2.gz DRWSBQKUUOWBNH-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO COc1ccnc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000680071056 487532368 /nfs/dbraw/zinc/53/23/68/487532368.db2.gz QJARKMUNEBCSKS-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000680071056 487532369 /nfs/dbraw/zinc/53/23/69/487532369.db2.gz QJARKMUNEBCSKS-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)C[C@H]2C)c1 ZINC000680071056 487532373 /nfs/dbraw/zinc/53/23/73/487532373.db2.gz QJARKMUNEBCSKS-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cn(C(C)C)nc1C ZINC000668788048 487532647 /nfs/dbraw/zinc/53/26/47/487532647.db2.gz JXQREQUGQKSRAS-UHFFFAOYSA-N 1 2 238.335 0.950 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000668788048 487532648 /nfs/dbraw/zinc/53/26/48/487532648.db2.gz JXQREQUGQKSRAS-UHFFFAOYSA-N 1 2 238.335 0.950 20 0 BCADLO CC[C@H](OC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679894919 487482465 /nfs/dbraw/zinc/48/24/65/487482465.db2.gz SKIGTAOAUPMQQX-JTQLQIEISA-N 1 2 237.303 0.959 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]cn1)CC2 ZINC000679894893 487482903 /nfs/dbraw/zinc/48/29/03/487482903.db2.gz GOXQOWXFYWSBSG-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO O=C(NCc1cn[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000673946569 487488634 /nfs/dbraw/zinc/48/86/34/487488634.db2.gz DFHVBIBQHMMJRF-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO CN(C)c1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000685001000 487489523 /nfs/dbraw/zinc/48/95/23/487489523.db2.gz CMRDWUOGOXENAV-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000685001000 487489526 /nfs/dbraw/zinc/48/95/26/487489526.db2.gz CMRDWUOGOXENAV-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000521366150 487493573 /nfs/dbraw/zinc/49/35/73/487493573.db2.gz GZEPYNRZYPPRQO-ZDUSSCGKSA-N 1 2 248.330 0.758 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000521366150 487493580 /nfs/dbraw/zinc/49/35/80/487493580.db2.gz GZEPYNRZYPPRQO-ZDUSSCGKSA-N 1 2 248.330 0.758 20 0 BCADLO OCCC1CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668231956 487498770 /nfs/dbraw/zinc/49/87/70/487498770.db2.gz VERCKUUOFCNBOV-UHFFFAOYSA-N 1 2 221.304 0.644 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3[nH]cnc3c2)nn1 ZINC000679931827 487494731 /nfs/dbraw/zinc/49/47/31/487494731.db2.gz DPNZBTRWADRYJE-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3nc[nH]c3c2)nn1 ZINC000679931827 487494739 /nfs/dbraw/zinc/49/47/39/487494739.db2.gz DPNZBTRWADRYJE-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO CCc1cc(N[C@@H]2C(=O)NCC[C@@H]2C)nc[nH+]1 ZINC000685039852 487494944 /nfs/dbraw/zinc/49/49/44/487494944.db2.gz LTEZEZGCYSYLCK-KWQFWETISA-N 1 2 234.303 0.976 20 0 BCADLO CCc1noc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)n1 ZINC000685043976 487495627 /nfs/dbraw/zinc/49/56/27/487495627.db2.gz GZWJGVQXKWZAKC-OIBJUYFYSA-N 1 2 238.291 0.246 20 0 BCADLO OCCC1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668231614 487497654 /nfs/dbraw/zinc/49/76/54/487497654.db2.gz FYWRBLCEOFPFEA-UHFFFAOYSA-N 1 2 221.304 0.644 20 0 BCADLO C[C@]1(O)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000673933614 487500799 /nfs/dbraw/zinc/50/07/99/487500799.db2.gz ZAWPEKQJHVULGJ-LBPRGKRZSA-N 1 2 245.286 0.623 20 0 BCADLO O[C@@]1(Cn2ccnn2)CCN(c2cccc[nH+]2)C1 ZINC000671467294 487512757 /nfs/dbraw/zinc/51/27/57/487512757.db2.gz WHZLNXQALGHPAD-LBPRGKRZSA-N 1 2 245.286 0.315 20 0 BCADLO Cc1cn2c(n1)C[N@H+](Cc1cnnn1C)CC2 ZINC000680000107 487513791 /nfs/dbraw/zinc/51/37/91/487513791.db2.gz DPESLQWOUVLUBO-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](Cc1cnnn1C)CC2 ZINC000680000107 487513795 /nfs/dbraw/zinc/51/37/95/487513795.db2.gz DPESLQWOUVLUBO-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000680007813 487514831 /nfs/dbraw/zinc/51/48/31/487514831.db2.gz RYCWHDSODYTTEM-QWRGUYRKSA-N 1 2 239.319 0.939 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1c(C)cnn1C ZINC000685410527 487516164 /nfs/dbraw/zinc/51/61/64/487516164.db2.gz NYPARJWVGCZRMV-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1c(C)cnn1C ZINC000685410527 487516167 /nfs/dbraw/zinc/51/61/67/487516167.db2.gz NYPARJWVGCZRMV-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ncccc1O ZINC000685420583 487519708 /nfs/dbraw/zinc/51/97/08/487519708.db2.gz OUZRRQKKBPGWFL-ZJUUUORDSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ncccc1O ZINC000685420583 487519710 /nfs/dbraw/zinc/51/97/10/487519710.db2.gz OUZRRQKKBPGWFL-ZJUUUORDSA-N 1 2 238.287 0.369 20 0 BCADLO Cc1[nH]c(C(=O)NC2CCC(CO)CC2)c[nH+]1 ZINC000680008576 487517072 /nfs/dbraw/zinc/51/70/72/487517072.db2.gz OSJDYJYIBXIETD-UHFFFAOYSA-N 1 2 237.303 0.999 20 0 BCADLO FC[C@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000668237521 487519780 /nfs/dbraw/zinc/51/97/80/487519780.db2.gz QQUXINIXIALWDJ-NSHDSACASA-N 1 2 239.294 1.000 20 0 BCADLO FC[C@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000668237521 487519782 /nfs/dbraw/zinc/51/97/82/487519782.db2.gz QQUXINIXIALWDJ-NSHDSACASA-N 1 2 239.294 1.000 20 0 BCADLO CC(C)OCCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000086559655 487518927 /nfs/dbraw/zinc/51/89/27/487518927.db2.gz GQWMNMDFNZLUFZ-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO CC(C)OCCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000086559655 487518932 /nfs/dbraw/zinc/51/89/32/487518932.db2.gz GQWMNMDFNZLUFZ-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ncccc1O ZINC000685420581 487520034 /nfs/dbraw/zinc/52/00/34/487520034.db2.gz OUZRRQKKBPGWFL-UWVGGRQHSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ncccc1O ZINC000685420581 487520036 /nfs/dbraw/zinc/52/00/36/487520036.db2.gz OUZRRQKKBPGWFL-UWVGGRQHSA-N 1 2 238.287 0.369 20 0 BCADLO Cn1cc(NC(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000685618903 487566118 /nfs/dbraw/zinc/56/61/18/487566118.db2.gz IHKSPQKOWNFDFW-UHFFFAOYSA-N 1 2 246.274 0.664 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)Cc1cn[nH]c1 ZINC000674753164 487613042 /nfs/dbraw/zinc/61/30/42/487613042.db2.gz WRJKLRCHKXDTJT-UHFFFAOYSA-N 1 2 235.247 0.468 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)Cc1cn[nH]c1 ZINC000674753164 487613044 /nfs/dbraw/zinc/61/30/44/487613044.db2.gz WRJKLRCHKXDTJT-UHFFFAOYSA-N 1 2 235.247 0.468 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1nc[nH]n1 ZINC000666725757 487865162 /nfs/dbraw/zinc/86/51/62/487865162.db2.gz RBJNLWDKVYHQPY-RNFRBKRXSA-N 1 2 232.247 0.280 20 0 BCADLO O=C(NCCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC000676701770 487896095 /nfs/dbraw/zinc/89/60/95/487896095.db2.gz KNHLFGWGZYWETH-SECBINFHSA-N 1 2 225.267 0.921 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682513196 487973806 /nfs/dbraw/zinc/97/38/06/487973806.db2.gz UYCSTVWOFRGRDH-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO COC[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134902901 488005176 /nfs/dbraw/zinc/00/51/76/488005176.db2.gz ZGZLMUHTCSJBRI-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO COC[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000134902901 488005179 /nfs/dbraw/zinc/00/51/79/488005179.db2.gz ZGZLMUHTCSJBRI-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnco1 ZINC000677644355 488086792 /nfs/dbraw/zinc/08/67/92/488086792.db2.gz JXKVKIBVXWJGSD-UHFFFAOYSA-N 1 2 232.243 0.912 20 0 BCADLO CCN1CC[C@@H](Nc2cc(C)[nH+]cn2)C1=O ZINC000390477913 488158935 /nfs/dbraw/zinc/15/89/35/488158935.db2.gz LMHHTLBYMQLGMC-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO CC(C)N1CC[C@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000677950042 488162320 /nfs/dbraw/zinc/16/23/20/488162320.db2.gz IMOZOZQJSSNVJB-JTQLQIEISA-N 1 2 236.319 0.851 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC2(COC2)C1 ZINC000668720531 488163086 /nfs/dbraw/zinc/16/30/86/488163086.db2.gz WONRZZGTXHXJQZ-UHFFFAOYSA-N 1 2 207.277 0.940 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC2(COC2)C1 ZINC000668720531 488163094 /nfs/dbraw/zinc/16/30/94/488163094.db2.gz WONRZZGTXHXJQZ-UHFFFAOYSA-N 1 2 207.277 0.940 20 0 BCADLO CCn1cc(C[NH2+]Cc2c(C)n[nH]c2C)nn1 ZINC000404467320 488165114 /nfs/dbraw/zinc/16/51/14/488165114.db2.gz YBJXSLBHAKBPJM-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cncnc1 ZINC000119284174 490046867 /nfs/dbraw/zinc/04/68/67/490046867.db2.gz RYTMSFUYOLCQPE-UHFFFAOYSA-N 1 2 222.292 0.435 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cncnc1 ZINC000119284174 490046869 /nfs/dbraw/zinc/04/68/69/490046869.db2.gz RYTMSFUYOLCQPE-UHFFFAOYSA-N 1 2 222.292 0.435 20 0 BCADLO OCC(F)(F)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667995991 488179611 /nfs/dbraw/zinc/17/96/11/488179611.db2.gz AKQIEOMYXLBTJB-BDAKNGLRSA-N 1 2 221.247 0.771 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@H](CO)C2)c(C)c[nH+]1 ZINC000678097055 488197386 /nfs/dbraw/zinc/19/73/86/488197386.db2.gz NQAJXVAYFZETPL-LLVKDONJSA-N 1 2 249.314 0.966 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668091095 488201094 /nfs/dbraw/zinc/20/10/94/488201094.db2.gz ZYXQNSGBJVZFFN-DTWKUNHWSA-N 1 2 248.286 0.004 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C12CCC2 ZINC000308424604 488203525 /nfs/dbraw/zinc/20/35/25/488203525.db2.gz QZEUNHIOTZGSCB-SFYZADRCSA-N 1 2 238.291 0.145 20 0 BCADLO CN(C)C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678138341 488205473 /nfs/dbraw/zinc/20/54/73/488205473.db2.gz FAKFRSWLWWDFEL-UHFFFAOYSA-N 1 2 237.307 0.209 20 0 BCADLO COC1(CO)CC[NH+](Cc2ncc(C)o2)CC1 ZINC000683677503 488206125 /nfs/dbraw/zinc/20/61/25/488206125.db2.gz ROIUMQVKSCRZCB-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc2cnccn12 ZINC000678192147 488216049 /nfs/dbraw/zinc/21/60/49/488216049.db2.gz BVALBYLBTGZQKX-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000678192147 488216052 /nfs/dbraw/zinc/21/60/52/488216052.db2.gz BVALBYLBTGZQKX-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3cn(C4CCC4)nn3)C[C@H]12 ZINC000668185808 488216953 /nfs/dbraw/zinc/21/69/53/488216953.db2.gz VDQDUAFHCOPITA-ITGUQSILSA-N 1 2 248.330 0.673 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cn(C4CCC4)nn3)C[C@H]12 ZINC000668185808 488216957 /nfs/dbraw/zinc/21/69/57/488216957.db2.gz VDQDUAFHCOPITA-ITGUQSILSA-N 1 2 248.330 0.673 20 0 BCADLO CN(CC(=O)N(C)C1CC1)Cc1[nH]cc[nH+]1 ZINC000678218121 488219407 /nfs/dbraw/zinc/21/94/07/488219407.db2.gz CVVUQKPMDFAQAF-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)Cc1cnccn1 ZINC000678217684 488219522 /nfs/dbraw/zinc/21/95/22/488219522.db2.gz FZQSVTGBOQJHBP-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnccn1 ZINC000678217684 488219525 /nfs/dbraw/zinc/21/95/25/488219525.db2.gz FZQSVTGBOQJHBP-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO O=C1C[N@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@@H]2N1 ZINC000678221154 488220757 /nfs/dbraw/zinc/22/07/57/488220757.db2.gz FABCYHSGDSOXAM-QWRGUYRKSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1C[N@@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@@H]2N1 ZINC000678221154 488220760 /nfs/dbraw/zinc/22/07/60/488220760.db2.gz FABCYHSGDSOXAM-QWRGUYRKSA-N 1 2 234.303 0.653 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000668220300 488229921 /nfs/dbraw/zinc/22/99/21/488229921.db2.gz LJCLRTMUSPVPLU-GFCCVEGCSA-N 1 2 248.330 0.743 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000668220300 488229924 /nfs/dbraw/zinc/22/99/24/488229924.db2.gz LJCLRTMUSPVPLU-GFCCVEGCSA-N 1 2 248.330 0.743 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683843909 488231053 /nfs/dbraw/zinc/23/10/53/488231053.db2.gz HOOLLIRVXANQKE-LLVKDONJSA-N 1 2 247.298 0.940 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000683843909 488231054 /nfs/dbraw/zinc/23/10/54/488231054.db2.gz HOOLLIRVXANQKE-LLVKDONJSA-N 1 2 247.298 0.940 20 0 BCADLO Cn1nncc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678266953 488231500 /nfs/dbraw/zinc/23/15/00/488231500.db2.gz XEJYUUZZFKKVRB-UHFFFAOYSA-N 1 2 206.253 0.170 20 0 BCADLO Cn1nncc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678266953 488231502 /nfs/dbraw/zinc/23/15/02/488231502.db2.gz XEJYUUZZFKKVRB-UHFFFAOYSA-N 1 2 206.253 0.170 20 0 BCADLO Cn1nccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678276161 488235762 /nfs/dbraw/zinc/23/57/62/488235762.db2.gz ZVOYSQBTJVJOPK-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1nccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678276161 488235764 /nfs/dbraw/zinc/23/57/64/488235764.db2.gz ZVOYSQBTJVJOPK-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1nccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678276161 488235765 /nfs/dbraw/zinc/23/57/65/488235765.db2.gz ZVOYSQBTJVJOPK-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1nccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678276161 488235766 /nfs/dbraw/zinc/23/57/66/488235766.db2.gz ZVOYSQBTJVJOPK-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CC(=O)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000683897059 488238853 /nfs/dbraw/zinc/23/88/53/488238853.db2.gz KTBWKEFYAOQUJJ-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)cn1 ZINC000683897378 488239541 /nfs/dbraw/zinc/23/95/41/488239541.db2.gz APKBZYYPFKDEOW-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cn(C)cn1 ZINC000683897378 488239542 /nfs/dbraw/zinc/23/95/42/488239542.db2.gz APKBZYYPFKDEOW-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)Cc1cnccn1 ZINC000683898649 488240059 /nfs/dbraw/zinc/24/00/59/488240059.db2.gz QWBWJLPNNIRBJO-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1c[nH+]c(CN2CCN(C(=O)C3CC3)CC2)c1 ZINC000683897897 488240151 /nfs/dbraw/zinc/24/01/51/488240151.db2.gz DYRBVPQUOMKULZ-UHFFFAOYSA-N 1 2 248.330 0.474 20 0 BCADLO Cn1c[nH+]c(CN2CCN(C)C(=O)C2(C)C)c1 ZINC000683898653 488240544 /nfs/dbraw/zinc/24/05/44/488240544.db2.gz QZUYMEBFGDZRCY-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO COCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145724 488240792 /nfs/dbraw/zinc/24/07/92/488240792.db2.gz PVBSKUQSTINKEF-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO O=C(COC(F)F)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147010 488240909 /nfs/dbraw/zinc/24/09/09/488240909.db2.gz WVMSDXZDFRMWKT-SSDOTTSWSA-N 1 2 245.229 0.553 20 0 BCADLO CCOCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149818 488241641 /nfs/dbraw/zinc/24/16/41/488241641.db2.gz YESOBOBGWNTMFT-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)COC1 ZINC000672151475 488242132 /nfs/dbraw/zinc/24/21/32/488242132.db2.gz TUWMAZGMUNCTDG-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000678337097 488242181 /nfs/dbraw/zinc/24/21/81/488242181.db2.gz BACAMYXVHSMDDG-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000678337097 488242183 /nfs/dbraw/zinc/24/21/83/488242183.db2.gz BACAMYXVHSMDDG-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000672153500 488242833 /nfs/dbraw/zinc/24/28/33/488242833.db2.gz YUFULKFHSFENEA-SNVBAGLBSA-N 1 2 245.286 0.361 20 0 BCADLO CN(CC(C)(C)O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000683920349 488244608 /nfs/dbraw/zinc/24/46/08/488244608.db2.gz UWDKCXISUQOCKD-UHFFFAOYSA-N 1 2 239.319 0.917 20 0 BCADLO COCC1(C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000683940084 488248891 /nfs/dbraw/zinc/24/88/91/488248891.db2.gz ARLIRCRWXFDYON-UHFFFAOYSA-N 1 2 247.302 0.836 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H](CO)CC1CC1 ZINC000678388461 488250177 /nfs/dbraw/zinc/25/01/77/488250177.db2.gz UVJFOCBNRWUXBM-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672400282 488254084 /nfs/dbraw/zinc/25/40/84/488254084.db2.gz KYBXXHRDKQQKKZ-GXFFZTMASA-N 1 2 249.314 0.475 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCC(=O)C1CC1 ZINC000678472933 488258291 /nfs/dbraw/zinc/25/82/91/488258291.db2.gz ROEFQQNSXLYPQA-UHFFFAOYSA-N 1 2 235.287 0.759 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCC(=O)N2)c[nH+]1 ZINC000684076244 488260206 /nfs/dbraw/zinc/26/02/06/488260206.db2.gz HPHFUJATVDNBOY-QMMMGPOBSA-N 1 2 236.275 0.117 20 0 BCADLO Cn1cc(CCC[N@H+](C)Cc2nncn2C)cn1 ZINC000672574628 488260234 /nfs/dbraw/zinc/26/02/34/488260234.db2.gz ZMUBLAOBRZBDRU-UHFFFAOYSA-N 1 2 248.334 0.613 20 0 BCADLO Cn1cc(CCC[N@@H+](C)Cc2nncn2C)cn1 ZINC000672574628 488260237 /nfs/dbraw/zinc/26/02/37/488260237.db2.gz ZMUBLAOBRZBDRU-UHFFFAOYSA-N 1 2 248.334 0.613 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C)(C)C1 ZINC000684085813 488263924 /nfs/dbraw/zinc/26/39/24/488263924.db2.gz WOSAZGMHVADKLX-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C)(C)C1 ZINC000684085813 488263925 /nfs/dbraw/zinc/26/39/25/488263925.db2.gz WOSAZGMHVADKLX-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(F)C1 ZINC000673044453 488272126 /nfs/dbraw/zinc/27/21/26/488272126.db2.gz STCDHRJEFMTEQR-LLVKDONJSA-N 1 2 225.267 0.923 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000673389209 488283916 /nfs/dbraw/zinc/28/39/16/488283916.db2.gz BFBAIARTTBUYGW-BDAKNGLRSA-N 1 2 225.267 0.920 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC=CC1 ZINC000678804196 488284377 /nfs/dbraw/zinc/28/43/77/488284377.db2.gz YTPYSKBOMQPZEV-NSHDSACASA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CC=CC1 ZINC000678804196 488284379 /nfs/dbraw/zinc/28/43/79/488284379.db2.gz YTPYSKBOMQPZEV-NSHDSACASA-N 1 2 224.304 0.542 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCOC2 ZINC000673401776 488284971 /nfs/dbraw/zinc/28/49/71/488284971.db2.gz GXVBUKMEUXQTSO-UHFFFAOYSA-N 1 2 249.314 0.602 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCc1ncc[nH]1 ZINC000673666133 488301482 /nfs/dbraw/zinc/30/14/82/488301482.db2.gz CQQQEMMENZWKJM-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO O=C(C[N@H+]1CC=CCC1)Nc1ccon1 ZINC000679323183 488337077 /nfs/dbraw/zinc/33/70/77/488337077.db2.gz FMOGKUKLVDBXQJ-UHFFFAOYSA-N 1 2 207.233 0.875 20 0 BCADLO O=C(C[N@@H+]1CC=CCC1)Nc1ccon1 ZINC000679323183 488337079 /nfs/dbraw/zinc/33/70/79/488337079.db2.gz FMOGKUKLVDBXQJ-UHFFFAOYSA-N 1 2 207.233 0.875 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1cnoc1 ZINC000684423409 488310815 /nfs/dbraw/zinc/31/08/15/488310815.db2.gz IHCCTIAMWWNBMV-UHFFFAOYSA-N 1 2 206.205 0.969 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1cnoc1 ZINC000684423409 488310817 /nfs/dbraw/zinc/31/08/17/488310817.db2.gz IHCCTIAMWWNBMV-UHFFFAOYSA-N 1 2 206.205 0.969 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC1(CO)CCC1 ZINC000684469790 488318095 /nfs/dbraw/zinc/31/80/95/488318095.db2.gz LIVKJDSBIVUNNR-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1F ZINC000679224759 488321376 /nfs/dbraw/zinc/32/13/76/488321376.db2.gz PILODKOSEXJOKM-MNOVXSKESA-N 1 2 244.310 0.525 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1F ZINC000679224759 488321377 /nfs/dbraw/zinc/32/13/77/488321377.db2.gz PILODKOSEXJOKM-MNOVXSKESA-N 1 2 244.310 0.525 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCC1=O ZINC000684497203 488322658 /nfs/dbraw/zinc/32/26/58/488322658.db2.gz YPDJYWWCJKKVNK-VIFPVBQESA-N 1 2 221.260 0.321 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC(C)C)C[C@@H]1C ZINC000679287803 488329353 /nfs/dbraw/zinc/32/93/53/488329353.db2.gz FJHVHBRFRCTSSL-JTQLQIEISA-N 1 2 249.380 0.255 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC(C)C)C[C@@H]1C ZINC000679287803 488329354 /nfs/dbraw/zinc/32/93/54/488329354.db2.gz FJHVHBRFRCTSSL-JTQLQIEISA-N 1 2 249.380 0.255 20 0 BCADLO CN(CC(=O)NCc1ccco1)Cc1c[nH+]c[nH]1 ZINC000684616454 488332151 /nfs/dbraw/zinc/33/21/51/488332151.db2.gz IUKVPIKRNZGXCT-UHFFFAOYSA-N 1 2 248.286 0.751 20 0 BCADLO CN(CC(=O)NCc1ccco1)Cc1c[nH]c[nH+]1 ZINC000684616454 488332153 /nfs/dbraw/zinc/33/21/53/488332153.db2.gz IUKVPIKRNZGXCT-UHFFFAOYSA-N 1 2 248.286 0.751 20 0 BCADLO O=c1cc(C[N@H+]2CC=CCC2)nc2cc[nH]n21 ZINC000679324232 488337776 /nfs/dbraw/zinc/33/77/76/488337776.db2.gz PTVNXAQSMUGDER-UHFFFAOYSA-N 1 2 230.271 0.785 20 0 BCADLO O=c1cc(C[N@@H+]2CC=CCC2)nc2cc[nH]n21 ZINC000679324232 488337778 /nfs/dbraw/zinc/33/77/78/488337778.db2.gz PTVNXAQSMUGDER-UHFFFAOYSA-N 1 2 230.271 0.785 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000679345246 488342599 /nfs/dbraw/zinc/34/25/99/488342599.db2.gz QERVEAWLYOWINS-GZMMTYOYSA-N 1 2 236.319 0.990 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1F ZINC000679359913 488343430 /nfs/dbraw/zinc/34/34/30/488343430.db2.gz RYEYHSLSOWZFCN-WPRPVWTQSA-N 1 2 212.272 0.995 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1F ZINC000679359913 488343432 /nfs/dbraw/zinc/34/34/32/488343432.db2.gz RYEYHSLSOWZFCN-WPRPVWTQSA-N 1 2 212.272 0.995 20 0 BCADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000679352619 488343507 /nfs/dbraw/zinc/34/35/07/488343507.db2.gz KJDWOOVLRSOKQO-SSDOTTSWSA-N 1 2 247.306 0.890 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cn[nH]n1 ZINC000684821695 488346589 /nfs/dbraw/zinc/34/65/89/488346589.db2.gz XFXIDLKGKKYEAZ-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO Cc1noc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000684873985 488347381 /nfs/dbraw/zinc/34/73/81/488347381.db2.gz HNKUHZOZYZKWGH-UHFFFAOYSA-N 1 2 207.193 0.031 20 0 BCADLO CC(C)(C)c1nc(NC[C@H](O)C(N)=O)cc[nH+]1 ZINC000684839089 488348133 /nfs/dbraw/zinc/34/81/33/488348133.db2.gz YKZLVUPZHRZQIR-ZETCQYMHSA-N 1 2 238.291 0.032 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1CC=CCC1 ZINC000679644165 488362142 /nfs/dbraw/zinc/36/21/42/488362142.db2.gz NVQCPYYSEJXBOA-JTQLQIEISA-N 1 2 210.277 0.106 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1CC=CCC1 ZINC000679644165 488362144 /nfs/dbraw/zinc/36/21/44/488362144.db2.gz NVQCPYYSEJXBOA-JTQLQIEISA-N 1 2 210.277 0.106 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC(F)(F)C1 ZINC000679650666 488362553 /nfs/dbraw/zinc/36/25/53/488362553.db2.gz QIALXNMUFLLAJH-MRVPVSSYSA-N 1 2 241.241 0.923 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000679834385 488367251 /nfs/dbraw/zinc/36/72/51/488367251.db2.gz BMTUNKGUEIXTJR-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000679834385 488367253 /nfs/dbraw/zinc/36/72/53/488367253.db2.gz BMTUNKGUEIXTJR-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO C[N@H+](CCO)Cc1nnc2ccccn21 ZINC000079442488 490058523 /nfs/dbraw/zinc/05/85/23/490058523.db2.gz FPAQDTMHNPYIPB-UHFFFAOYSA-N 1 2 206.249 0.153 20 0 BCADLO C[N@@H+](CCO)Cc1nnc2ccccn21 ZINC000079442488 490058524 /nfs/dbraw/zinc/05/85/24/490058524.db2.gz FPAQDTMHNPYIPB-UHFFFAOYSA-N 1 2 206.249 0.153 20 0 BCADLO Cn1cc[nH+]c1CNc1ccc2c(n1)C(=O)CC2 ZINC000641344607 490094725 /nfs/dbraw/zinc/09/47/25/490094725.db2.gz RFLHLKZZVBAEPC-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BCADLO Cc1nc(NC[C@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000425268605 490101703 /nfs/dbraw/zinc/10/17/03/490101703.db2.gz QJQGYVJLKGOAAM-JTQLQIEISA-N 1 2 234.303 1.065 20 0 BCADLO Cc1nc(NC[C@H](O)COCC(C)C)cc[nH+]1 ZINC000360217521 490102170 /nfs/dbraw/zinc/10/21/70/490102170.db2.gz GOPHMXIBBZWJBZ-NSHDSACASA-N 1 2 239.319 1.230 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000110115882 490103933 /nfs/dbraw/zinc/10/39/33/490103933.db2.gz VBXKDQNWRLAROT-SVRRBLITSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000110115882 490103938 /nfs/dbraw/zinc/10/39/38/490103938.db2.gz VBXKDQNWRLAROT-SVRRBLITSA-N 1 2 241.209 0.547 20 0 BCADLO Cc1noc(C[N@H+](C)CCC(C)(C)O)n1 ZINC000653888285 490154876 /nfs/dbraw/zinc/15/48/76/490154876.db2.gz LTCYWIBIFYIZDA-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC(C)(C)O)n1 ZINC000653888285 490154881 /nfs/dbraw/zinc/15/48/81/490154881.db2.gz LTCYWIBIFYIZDA-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1c(C)noc1C ZINC000046060465 490162936 /nfs/dbraw/zinc/16/29/36/490162936.db2.gz FLJVHWNANRKRMP-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1c(C)noc1C ZINC000046060465 490162942 /nfs/dbraw/zinc/16/29/42/490162942.db2.gz FLJVHWNANRKRMP-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO COC[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000672965777 490163716 /nfs/dbraw/zinc/16/37/16/490163716.db2.gz MCRQKQOLKWVAAI-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO N#Cc1cnnc(NCCCCn2cc[nH+]c2)c1 ZINC000396949307 490218264 /nfs/dbraw/zinc/21/82/64/490218264.db2.gz MYCXRMOIJVDOJX-UHFFFAOYSA-N 1 2 242.286 1.437 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000124066466 490283718 /nfs/dbraw/zinc/28/37/18/490283718.db2.gz QUFSNNVWZZNZDQ-LBPRGKRZSA-N 1 2 248.330 0.967 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000124066466 490283719 /nfs/dbraw/zinc/28/37/19/490283719.db2.gz QUFSNNVWZZNZDQ-LBPRGKRZSA-N 1 2 248.330 0.967 20 0 BCADLO CC(C)NC(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047575150 490304900 /nfs/dbraw/zinc/30/49/00/490304900.db2.gz WBKIUCNMOPVUDD-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO O=c1[nH]nc(C[NH+]2C[C@H]3CCC[C@@H]3C2)[nH]1 ZINC000092619088 490359334 /nfs/dbraw/zinc/35/93/34/490359334.db2.gz CLELMIOSNICGOE-HTQZYQBOSA-N 1 2 208.265 0.330 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000079768539 490462568 /nfs/dbraw/zinc/46/25/68/490462568.db2.gz GRGNZNQSLKDZHS-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000079768539 490462576 /nfs/dbraw/zinc/46/25/76/490462576.db2.gz GRGNZNQSLKDZHS-VIFPVBQESA-N 1 2 211.265 0.581 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000079769825 490464102 /nfs/dbraw/zinc/46/41/02/490464102.db2.gz CVIPIHKEMXPLKS-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000079769825 490464093 /nfs/dbraw/zinc/46/40/93/490464093.db2.gz CVIPIHKEMXPLKS-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H](NC(=O)c1ccon1)[C@H]1C[N@H+](C)CCO1 ZINC000127040114 490534049 /nfs/dbraw/zinc/53/40/49/490534049.db2.gz ZDCYQURSSUUING-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1ccon1)[C@H]1C[N@@H+](C)CCO1 ZINC000127040114 490534053 /nfs/dbraw/zinc/53/40/53/490534053.db2.gz ZDCYQURSSUUING-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO O=C(C[NH2+]Cc1nccs1)N1CCOCC1 ZINC000302907316 490618855 /nfs/dbraw/zinc/61/88/55/490618855.db2.gz NZWZVWPKQGFEBE-UHFFFAOYSA-N 1 2 241.316 0.092 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668746809 490653300 /nfs/dbraw/zinc/65/33/00/490653300.db2.gz WVIYVQGZEMPOAF-IAZYJMLFSA-N 1 2 232.283 0.897 20 0 BCADLO CCc1cc(NC[C@]2(O)CCO[C@@H]2C)nc[nH+]1 ZINC000228008806 491086860 /nfs/dbraw/zinc/08/68/60/491086860.db2.gz LJHBMASYLOCVPE-BXKDBHETSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1cc(NC[C@@]2(O)CCO[C@@H]2C)nc[nH+]1 ZINC000228008791 491086870 /nfs/dbraw/zinc/08/68/70/491086870.db2.gz LJHBMASYLOCVPE-SKDRFNHKSA-N 1 2 237.303 0.991 20 0 BCADLO Cc1cc(NCCc2ncn(C)n2)nc[nH+]1 ZINC000087416241 491087537 /nfs/dbraw/zinc/08/75/37/491087537.db2.gz JGUBXKLDAPJUIX-UHFFFAOYSA-N 1 2 218.264 0.568 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000088759161 491108449 /nfs/dbraw/zinc/10/84/49/491108449.db2.gz MCMALYSEHVLDMM-QMMMGPOBSA-N 1 2 248.286 0.037 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000088759161 491108451 /nfs/dbraw/zinc/10/84/51/491108451.db2.gz MCMALYSEHVLDMM-QMMMGPOBSA-N 1 2 248.286 0.037 20 0 BCADLO COCc1n[nH]c(C[NH2+]C2CC(OC)C2)n1 ZINC000668509447 491126593 /nfs/dbraw/zinc/12/65/93/491126593.db2.gz FWEYFNSZTCUTHP-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO COCc1nnc(C[NH2+]C2CC(OC)C2)[nH]1 ZINC000668509447 491126594 /nfs/dbraw/zinc/12/65/94/491126594.db2.gz FWEYFNSZTCUTHP-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000081570950 491135370 /nfs/dbraw/zinc/13/53/70/491135370.db2.gz YROCWKMQWCSDME-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000081570950 491135371 /nfs/dbraw/zinc/13/53/71/491135371.db2.gz YROCWKMQWCSDME-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1nccs1 ZINC000082269435 491141579 /nfs/dbraw/zinc/14/15/79/491141579.db2.gz YDEIDZVFMFCCCC-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309443567 491148346 /nfs/dbraw/zinc/14/83/46/491148346.db2.gz KTMCDQGSXVPNSS-CBAPKCEASA-N 1 2 222.292 0.599 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H](O)C1CC1 ZINC000890715881 582513466 /nfs/dbraw/zinc/51/34/66/582513466.db2.gz CDVVEDUIUMPLGY-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H](O)C1CC1 ZINC000890719338 582515435 /nfs/dbraw/zinc/51/54/35/582515435.db2.gz FAUWHSZKDFYLKN-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO COC(=O)N(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000495688868 533863033 /nfs/dbraw/zinc/86/30/33/533863033.db2.gz VKAIVLNHCIZFOK-SSDOTTSWSA-N 1 2 240.263 0.285 20 0 BCADLO C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[C@H](C)O ZINC000493398648 533873530 /nfs/dbraw/zinc/87/35/30/533873530.db2.gz WTJRXKULAJFXDI-OKWQPMOJSA-N 1 2 237.303 0.946 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174754437 535528785 /nfs/dbraw/zinc/52/87/85/535528785.db2.gz QZBHBCQJHLYBOH-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493197444 533987430 /nfs/dbraw/zinc/98/74/30/533987430.db2.gz YMTSNYNMRSYRLW-ALCGYSGWSA-N 1 2 221.260 0.405 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1nccs1 ZINC000328773900 582674732 /nfs/dbraw/zinc/67/47/32/582674732.db2.gz DTTCUEFBGUXZNQ-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1nccs1 ZINC000328773900 582674735 /nfs/dbraw/zinc/67/47/35/582674735.db2.gz DTTCUEFBGUXZNQ-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO C[C@H](O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493089006 534053635 /nfs/dbraw/zinc/05/36/35/534053635.db2.gz SHSYPBPPBGJOIQ-MOVJSRMASA-N 1 2 223.276 0.700 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2nnnn2C)C1 ZINC000488228502 534063384 /nfs/dbraw/zinc/06/33/84/534063384.db2.gz GGFUGQDINHBMLV-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2nnnn2C)C1 ZINC000488228502 534063391 /nfs/dbraw/zinc/06/33/91/534063391.db2.gz GGFUGQDINHBMLV-MRVPVSSYSA-N 1 2 227.337 0.395 20 0 BCADLO C[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493150432 534098139 /nfs/dbraw/zinc/09/81/39/534098139.db2.gz LFAVPLOXQSEMBR-AFRAPRFESA-N 1 2 248.286 0.206 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000891495272 582693326 /nfs/dbraw/zinc/69/33/26/582693326.db2.gz PIAZGOQVXIQWJX-UHFFFAOYSA-N 1 2 238.335 0.731 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000891495272 582693336 /nfs/dbraw/zinc/69/33/36/582693336.db2.gz PIAZGOQVXIQWJX-UHFFFAOYSA-N 1 2 238.335 0.731 20 0 BCADLO CCn1cc(CC[N@H+](C)Cc2nnc[nH]2)cn1 ZINC000348186888 536038616 /nfs/dbraw/zinc/03/86/16/536038616.db2.gz RVABCBZXKYUJGC-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO CCn1cc(CC[N@@H+](C)Cc2nnc[nH]2)cn1 ZINC000348186888 536038621 /nfs/dbraw/zinc/03/86/21/536038621.db2.gz RVABCBZXKYUJGC-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO COC(=O)[C@@H](F)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493352935 534267814 /nfs/dbraw/zinc/26/78/14/534267814.db2.gz NVDYMXWCXAEQNB-AIYRYJHASA-N 1 2 241.222 0.050 20 0 BCADLO Cn1nncc1C[N@H+](CCO)Cc1ccccc1 ZINC000305721479 534359316 /nfs/dbraw/zinc/35/93/16/534359316.db2.gz BMGJENMIRVDMOX-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1nncc1C[N@@H+](CCO)Cc1ccccc1 ZINC000305721479 534359320 /nfs/dbraw/zinc/35/93/20/534359320.db2.gz BMGJENMIRVDMOX-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000348127432 534393818 /nfs/dbraw/zinc/39/38/18/534393818.db2.gz RXOVRZBOKLMDIP-LSYCYVAJSA-N 1 2 246.376 0.354 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000348127432 534393824 /nfs/dbraw/zinc/39/38/24/534393824.db2.gz RXOVRZBOKLMDIP-LSYCYVAJSA-N 1 2 246.376 0.354 20 0 BCADLO NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493234359 534421709 /nfs/dbraw/zinc/42/17/09/534421709.db2.gz DLXNMYDJTUQKRX-MOVJSRMASA-N 1 2 248.286 0.289 20 0 BCADLO NC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493067453 534428084 /nfs/dbraw/zinc/42/80/84/534428084.db2.gz ASVQYWWMCFGLLB-VJIGKBMESA-N 1 2 248.286 0.193 20 0 BCADLO CC(C)OCCCNC(=O)Cn1cc[nH+]c1 ZINC000069738399 519763434 /nfs/dbraw/zinc/76/34/34/519763434.db2.gz HKINGLPNUAEDEN-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO NC(=O)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493258872 534448351 /nfs/dbraw/zinc/44/83/51/534448351.db2.gz PWPIANQOOKBFLW-NWALNABHSA-N 1 2 248.286 0.147 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCOC1 ZINC000494250596 534718447 /nfs/dbraw/zinc/71/84/47/534718447.db2.gz JWDSDGQIBBXXAZ-VIFPVBQESA-N 1 2 223.276 0.556 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCOC1 ZINC000494250596 534718455 /nfs/dbraw/zinc/71/84/55/534718455.db2.gz JWDSDGQIBBXXAZ-VIFPVBQESA-N 1 2 223.276 0.556 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000493852929 534786231 /nfs/dbraw/zinc/78/62/31/534786231.db2.gz LLSOPMBGSDMEMN-ZSZQYCITSA-N 1 2 247.298 0.652 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000493582924 534786435 /nfs/dbraw/zinc/78/64/35/534786435.db2.gz JXAXIUHESYUCNR-LHPPFPPOSA-N 1 2 249.270 0.049 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCn2ccnc2C1 ZINC000493434698 534786735 /nfs/dbraw/zinc/78/67/35/534786735.db2.gz RGXGUARWPKMMTC-OWOJBTEDSA-N 1 2 243.270 0.662 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(=O)C1CC1 ZINC000493305834 534787238 /nfs/dbraw/zinc/78/72/38/534787238.db2.gz QXDMHJWMMOUDCZ-ONEGZZNKSA-N 1 2 219.244 0.518 20 0 BCADLO O=C1N[C@H]2CC[N@H+](Cc3cocn3)C[C@@H]2CO1 ZINC000495419870 534801345 /nfs/dbraw/zinc/80/13/45/534801345.db2.gz YRWLWQYYTMECAM-SCZZXKLOSA-N 1 2 237.259 0.605 20 0 BCADLO O=C1N[C@H]2CC[N@@H+](Cc3cocn3)C[C@@H]2CO1 ZINC000495419870 534801348 /nfs/dbraw/zinc/80/13/48/534801348.db2.gz YRWLWQYYTMECAM-SCZZXKLOSA-N 1 2 237.259 0.605 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@H]1CCOC1 ZINC000492869673 534802802 /nfs/dbraw/zinc/80/28/02/534802802.db2.gz VBVOKKGKRYUXIW-IYABHPQVSA-N 1 2 223.232 0.260 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)CC(F)F ZINC000492820247 534802995 /nfs/dbraw/zinc/80/29/95/534802995.db2.gz ATHACEQNKYANJU-SLYZXXNYSA-N 1 2 245.229 0.555 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000492758899 534803221 /nfs/dbraw/zinc/80/32/21/534803221.db2.gz BHDWBBAJOCSHKS-ADRPCIBZSA-N 1 2 235.287 0.843 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCOC1 ZINC000493732130 534804435 /nfs/dbraw/zinc/80/44/35/534804435.db2.gz YYPNZBGHGZGFIH-XOULXFPDSA-N 1 2 221.260 0.718 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nncs1 ZINC000493568927 534805321 /nfs/dbraw/zinc/80/53/21/534805321.db2.gz QOOSSZUOJQBURJ-UPHRSURJSA-N 1 2 221.245 0.913 20 0 BCADLO O=C1OCC[C@@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000496135438 534811751 /nfs/dbraw/zinc/81/17/51/534811751.db2.gz WAVWNIZECXSFTK-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCC[C@@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000496135438 534811755 /nfs/dbraw/zinc/81/17/55/534811755.db2.gz WAVWNIZECXSFTK-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO CC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493621018 526601074 /nfs/dbraw/zinc/60/10/74/526601074.db2.gz RIFVGKWJSXHRBF-NSCUHMNNSA-N 1 2 248.286 0.114 20 0 BCADLO CC(C)(O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816213 527321520 /nfs/dbraw/zinc/32/15/20/527321520.db2.gz ZMHIBKXUFDPCLE-ARJAWSKDSA-N 1 2 223.276 0.700 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1nnc(CC)[nH]1 ZINC000479109731 527825398 /nfs/dbraw/zinc/82/53/98/527825398.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1nnc(CC)[nH]1 ZINC000479109731 527825406 /nfs/dbraw/zinc/82/54/06/527825406.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1nc(CC)n[nH]1 ZINC000479109731 527825410 /nfs/dbraw/zinc/82/54/10/527825410.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1nc(CC)n[nH]1 ZINC000479109731 527825419 /nfs/dbraw/zinc/82/54/19/527825419.db2.gz DVHIGMALGYBYMJ-UHFFFAOYSA-N 1 2 225.296 0.647 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493817092 527832061 /nfs/dbraw/zinc/83/20/61/527832061.db2.gz HOEQNYZWAJKHDP-XOULXFPDSA-N 1 2 235.287 0.795 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493221160 527864412 /nfs/dbraw/zinc/86/44/12/527864412.db2.gz INYRJJRPGDAROT-RWCMCFKCSA-N 1 2 221.260 0.717 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493191237 527881221 /nfs/dbraw/zinc/88/12/21/527881221.db2.gz PTIJBOYHWWLECQ-DXMIZCBPSA-N 1 2 235.287 0.699 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492864245 527881584 /nfs/dbraw/zinc/88/15/84/527881584.db2.gz NLZZUJQHWUUUPM-RWCMCFKCSA-N 1 2 235.287 0.699 20 0 BCADLO CCN1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1=O ZINC000493238824 527906520 /nfs/dbraw/zinc/90/65/20/527906520.db2.gz XQWAQRAJQGTEEP-ONEGZZNKSA-N 1 2 234.259 0.071 20 0 BCADLO COCCCN(CCO)Cc1[nH+]cc(C)n1C ZINC000342798512 536522924 /nfs/dbraw/zinc/52/29/24/536522924.db2.gz UWWCIPLLYVFBFZ-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CCN1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CC1=O ZINC000493800948 527935104 /nfs/dbraw/zinc/93/51/04/527935104.db2.gz DGUBGDNGCWLUQC-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000175264428 536523508 /nfs/dbraw/zinc/52/35/08/536523508.db2.gz CRIOAQJWGDKENU-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000175264428 536523514 /nfs/dbraw/zinc/52/35/14/536523514.db2.gz CRIOAQJWGDKENU-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757126 536524889 /nfs/dbraw/zinc/52/48/89/536524889.db2.gz BIHXIYNYTUAHSH-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226757126 536524895 /nfs/dbraw/zinc/52/48/95/536524895.db2.gz BIHXIYNYTUAHSH-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493301818 528291564 /nfs/dbraw/zinc/29/15/64/528291564.db2.gz KGGZONSKSYALTI-ARJAWSKDSA-N 1 2 207.233 0.518 20 0 BCADLO CCC(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493837014 528316365 /nfs/dbraw/zinc/31/63/65/528316365.db2.gz OEGMBNVHMAYAIQ-ONEGZZNKSA-N 1 2 248.286 0.461 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000505800214 528379800 /nfs/dbraw/zinc/37/98/00/528379800.db2.gz AJCBOUPAOUNTCV-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000505800214 528379804 /nfs/dbraw/zinc/37/98/04/528379804.db2.gz AJCBOUPAOUNTCV-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCO/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000492883269 528523407 /nfs/dbraw/zinc/52/34/07/528523407.db2.gz WNFMWDUZURPEDJ-WTKPLQERSA-N 1 2 223.276 0.940 20 0 BCADLO CCO/C=C\C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000493834896 528523956 /nfs/dbraw/zinc/52/39/56/528523956.db2.gz HPBJOHAXWLRCEW-OHYQPGSNSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000493834896 528523959 /nfs/dbraw/zinc/52/39/59/528523959.db2.gz HPBJOHAXWLRCEW-OHYQPGSNSA-N 1 2 242.319 0.374 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493236389 528626706 /nfs/dbraw/zinc/62/67/06/528626706.db2.gz HCROKMSLBFWREX-NWALNABHSA-N 1 2 223.276 0.556 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496670843 528809793 /nfs/dbraw/zinc/80/97/93/528809793.db2.gz DEXOBJXOYKJRAP-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496670843 528809800 /nfs/dbraw/zinc/80/98/00/528809800.db2.gz DEXOBJXOYKJRAP-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493264462 528861533 /nfs/dbraw/zinc/86/15/33/528861533.db2.gz RJRADMGTYNBOQW-ZYOFXKKJSA-N 1 2 237.303 0.946 20 0 BCADLO CC1(C)C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493816692 528863754 /nfs/dbraw/zinc/86/37/54/528863754.db2.gz HEMVDHPRJVDHOV-ARJAWSKDSA-N 1 2 248.286 0.160 20 0 BCADLO CC1(C)C(=O)NCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493654141 528864362 /nfs/dbraw/zinc/86/43/62/528864362.db2.gz HIDWMEDUUJQQRY-ARJAWSKDSA-N 1 2 248.286 0.160 20 0 BCADLO CCC1(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000487308080 528981033 /nfs/dbraw/zinc/98/10/33/528981033.db2.gz KKTDSGGRTKRVOU-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CCC1(C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000487675899 528986895 /nfs/dbraw/zinc/98/68/95/528986895.db2.gz RDFIRTUGIQCHRQ-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)COC1 ZINC000493759165 529118199 /nfs/dbraw/zinc/11/81/99/529118199.db2.gz RTFZBOXOQOJHSW-ONEGZZNKSA-N 1 2 235.287 0.966 20 0 BCADLO CC[C@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492989472 529193226 /nfs/dbraw/zinc/19/32/26/529193226.db2.gz VBXZXNSEDWSUJQ-XOULXFPDSA-N 1 2 248.286 0.160 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)NC)CCO1 ZINC000494720611 529292864 /nfs/dbraw/zinc/29/28/64/529292864.db2.gz YCBZOHKXVJGPGM-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)NC)CCO1 ZINC000494720611 529292868 /nfs/dbraw/zinc/29/28/68/529292868.db2.gz YCBZOHKXVJGPGM-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CC[C@H](CCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493222534 529322864 /nfs/dbraw/zinc/32/28/64/529322864.db2.gz BLSIPZGLVZEPHE-HMDXOVGESA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)Cn1ncnc1C[NH2+]C1(C(N)=O)CC1 ZINC000347794125 534928022 /nfs/dbraw/zinc/92/80/22/534928022.db2.gz YNOWUBRAIFLCPU-UHFFFAOYSA-N 1 2 237.307 0.042 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000336028656 534966428 /nfs/dbraw/zinc/96/64/28/534966428.db2.gz XXLAQOMQKAVFEO-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000336028656 534966431 /nfs/dbraw/zinc/96/64/31/534966431.db2.gz XXLAQOMQKAVFEO-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO CCCC[C@H](COC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249031575 535042848 /nfs/dbraw/zinc/04/28/48/535042848.db2.gz FJOIGJRWZGMTAY-AXFHLTTASA-N 1 2 247.335 0.704 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000178340554 535165929 /nfs/dbraw/zinc/16/59/29/535165929.db2.gz PPPQXUBVFTTZLR-JTQLQIEISA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000178340554 535165933 /nfs/dbraw/zinc/16/59/33/535165933.db2.gz PPPQXUBVFTTZLR-JTQLQIEISA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000184838088 535273037 /nfs/dbraw/zinc/27/30/37/535273037.db2.gz VBQULZUQBBTNBV-RYUDHWBXSA-N 1 2 240.347 0.727 20 0 BCADLO CC1(C)CC(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000348503378 535281950 /nfs/dbraw/zinc/28/19/50/535281950.db2.gz ADLWULJATULPAH-UHFFFAOYSA-N 1 2 240.347 0.871 20 0 BCADLO CC1(C)CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000336105781 535318923 /nfs/dbraw/zinc/31/89/23/535318923.db2.gz WZZYGXCMSOJSAD-QMMMGPOBSA-N 1 2 223.276 0.984 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000172574125 535425215 /nfs/dbraw/zinc/42/52/15/535425215.db2.gz RJRGCSLREZGQGQ-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000172574125 535425219 /nfs/dbraw/zinc/42/52/19/535425219.db2.gz RJRGCSLREZGQGQ-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000248003232 535426178 /nfs/dbraw/zinc/42/61/78/535426178.db2.gz ODNILQLDYONYDC-JTQLQIEISA-N 1 2 243.351 0.263 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000248003232 535426179 /nfs/dbraw/zinc/42/61/79/535426179.db2.gz ODNILQLDYONYDC-JTQLQIEISA-N 1 2 243.351 0.263 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000172876344 535432356 /nfs/dbraw/zinc/43/23/56/535432356.db2.gz MBKLGGNODMFQIV-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000172876344 535432361 /nfs/dbraw/zinc/43/23/61/535432361.db2.gz MBKLGGNODMFQIV-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000351920614 535433942 /nfs/dbraw/zinc/43/39/42/535433942.db2.gz DLJAXDMUXPAYQA-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000351920614 535433946 /nfs/dbraw/zinc/43/39/46/535433946.db2.gz DLJAXDMUXPAYQA-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO CCOCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000342748291 535443929 /nfs/dbraw/zinc/44/39/29/535443929.db2.gz ZEARDZUZHAVHIL-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CCOc1cccc(C[NH2+]Cc2cnnn2C)n1 ZINC000342276994 535460269 /nfs/dbraw/zinc/46/02/69/535460269.db2.gz ZIXVJWOJUKUWHH-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCN1CCOCC1 ZINC000258895639 535555133 /nfs/dbraw/zinc/55/51/33/535555133.db2.gz GAQOQCGPFQSEBA-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCc1cnn(C)c1 ZINC000265999599 535555178 /nfs/dbraw/zinc/55/51/78/535555178.db2.gz NKQZTCHOLYMQSS-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cnn(C)c1 ZINC000348316692 535619959 /nfs/dbraw/zinc/61/99/59/535619959.db2.gz GPFHUQKPLDFZPU-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cnn(C)c1 ZINC000348316692 535619963 /nfs/dbraw/zinc/61/99/63/535619963.db2.gz GPFHUQKPLDFZPU-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc(C)[nH]2)[C@@H](C)C1 ZINC000336164410 535646120 /nfs/dbraw/zinc/64/61/20/535646120.db2.gz OVFXCFXTPNSORA-VIFPVBQESA-N 1 2 236.319 0.884 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc(C)[nH]2)[C@@H](C)C1 ZINC000336164410 535646122 /nfs/dbraw/zinc/64/61/22/535646122.db2.gz OVFXCFXTPNSORA-VIFPVBQESA-N 1 2 236.319 0.884 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000347959206 535712667 /nfs/dbraw/zinc/71/26/67/535712667.db2.gz PGMSFRLRDNDDBN-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000347959206 535712670 /nfs/dbraw/zinc/71/26/70/535712670.db2.gz PGMSFRLRDNDDBN-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000342632678 535714118 /nfs/dbraw/zinc/71/41/18/535714118.db2.gz MQKSQJRHKYKILJ-RFAUZJTJSA-N 1 2 234.365 0.164 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000342632678 535714122 /nfs/dbraw/zinc/71/41/22/535714122.db2.gz MQKSQJRHKYKILJ-RFAUZJTJSA-N 1 2 234.365 0.164 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000335702882 535718540 /nfs/dbraw/zinc/71/85/40/535718540.db2.gz LSADDEFJMBOXCR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000335702882 535718543 /nfs/dbraw/zinc/71/85/43/535718543.db2.gz LSADDEFJMBOXCR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@H]([NH2+]CC1(C)COC1)C(=O)OC ZINC000168386124 535803082 /nfs/dbraw/zinc/80/30/82/535803082.db2.gz FPPBYMUDDBHDDY-MRVPVSSYSA-N 1 2 201.266 0.564 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](C)F ZINC000352096264 536314668 /nfs/dbraw/zinc/31/46/68/536314668.db2.gz DMPGXRBNFHDOPA-RKDXNWHRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)F ZINC000352096264 536314671 /nfs/dbraw/zinc/31/46/71/536314671.db2.gz DMPGXRBNFHDOPA-RKDXNWHRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc[nH]c1 ZINC000260147708 536354884 /nfs/dbraw/zinc/35/48/84/536354884.db2.gz SAQDBGHGHLGTRJ-NSHDSACASA-N 1 2 238.287 0.779 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc[nH]c1 ZINC000260147708 536354887 /nfs/dbraw/zinc/35/48/87/536354887.db2.gz SAQDBGHGHLGTRJ-NSHDSACASA-N 1 2 238.287 0.779 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178504893 536471456 /nfs/dbraw/zinc/47/14/56/536471456.db2.gz FOJGQTHXUNGZDC-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178504893 536471458 /nfs/dbraw/zinc/47/14/58/536471458.db2.gz FOJGQTHXUNGZDC-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345381654 536504535 /nfs/dbraw/zinc/50/45/35/536504535.db2.gz OEJUJLOLKMCERO-YUMQZZPRSA-N 1 2 236.262 0.382 20 0 BCADLO COC[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263280393 536546976 /nfs/dbraw/zinc/54/69/76/536546976.db2.gz UENHMYWFECJUAA-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335551613 536581372 /nfs/dbraw/zinc/58/13/72/536581372.db2.gz ALHAUXFSANMDKB-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000179799997 536587629 /nfs/dbraw/zinc/58/76/29/536587629.db2.gz ZGPZPTYDBQIFAT-LLVKDONJSA-N 1 2 223.276 0.324 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000179799997 536587634 /nfs/dbraw/zinc/58/76/34/536587634.db2.gz ZGPZPTYDBQIFAT-LLVKDONJSA-N 1 2 223.276 0.324 20 0 BCADLO COC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000227771713 536627674 /nfs/dbraw/zinc/62/76/74/536627674.db2.gz YXYNVGCORHEKIY-NXEZZACHSA-N 1 2 231.292 0.189 20 0 BCADLO CO[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000342741879 536768359 /nfs/dbraw/zinc/76/83/59/536768359.db2.gz YMSHXXQJGVXIHB-YUMQZZPRSA-N 1 2 226.280 0.367 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000342741879 536768360 /nfs/dbraw/zinc/76/83/60/536768360.db2.gz YMSHXXQJGVXIHB-YUMQZZPRSA-N 1 2 226.280 0.367 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000348119163 536827801 /nfs/dbraw/zinc/82/78/01/536827801.db2.gz ZRRRXJAARLMCDV-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000348119163 536827807 /nfs/dbraw/zinc/82/78/07/536827807.db2.gz ZRRRXJAARLMCDV-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C1CC(O)C1 ZINC000351979254 536837612 /nfs/dbraw/zinc/83/76/12/536837612.db2.gz LEQUMKMXFMADKC-UHFFFAOYSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C1CC(O)C1 ZINC000351979254 536837617 /nfs/dbraw/zinc/83/76/17/536837617.db2.gz LEQUMKMXFMADKC-UHFFFAOYSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[NH+]1CCC(O)CC1 ZINC000351851981 536839550 /nfs/dbraw/zinc/83/95/50/536839550.db2.gz BFZNVQMGKOYYHC-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO CCc1cc(NC[C@@](C)(O)CO)nc[nH+]1 ZINC000085253328 538116535 /nfs/dbraw/zinc/11/65/35/538116535.db2.gz IJFJATPDDKFKOS-SNVBAGLBSA-N 1 2 211.265 0.194 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2nc(C)c(C)[nH]2)[nH]1 ZINC000572857282 566465679 /nfs/dbraw/zinc/46/56/79/566465679.db2.gz SIPRJUXXPKEYMZ-UHFFFAOYSA-N 1 2 234.307 0.785 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnon1 ZINC000852002303 582992392 /nfs/dbraw/zinc/99/23/92/582992392.db2.gz CCZHMPSYBZWERF-WPRPVWTQSA-N 1 2 227.264 0.041 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+](C)C[C@@H]2COCCO2)C1 ZINC000853556965 583058672 /nfs/dbraw/zinc/05/86/72/583058672.db2.gz GHQWXIDKZAJSSH-WDEREUQCSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2COCCO2)C1 ZINC000853556965 583058675 /nfs/dbraw/zinc/05/86/75/583058675.db2.gz GHQWXIDKZAJSSH-WDEREUQCSA-N 1 2 242.319 0.160 20 0 BCADLO CCO/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000840590009 583094446 /nfs/dbraw/zinc/09/44/46/583094446.db2.gz SAQCFSZEAAHCBO-MEQVVJDKSA-N 1 2 243.303 0.801 20 0 BCADLO CCO/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000840590009 583094448 /nfs/dbraw/zinc/09/44/48/583094448.db2.gz SAQCFSZEAAHCBO-MEQVVJDKSA-N 1 2 243.303 0.801 20 0 BCADLO COCCOC[C@H](C)[NH2+]CC(F)(F)CO ZINC000893643395 583184552 /nfs/dbraw/zinc/18/45/52/583184552.db2.gz SFKZSWMWPOWKKY-QMMMGPOBSA-N 1 2 227.251 0.255 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000893904926 583242977 /nfs/dbraw/zinc/24/29/77/583242977.db2.gz OPGODYAPOAILNW-VIFPVBQESA-N 1 2 223.276 0.823 20 0 BCADLO Cc1ncoc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000893904926 583242979 /nfs/dbraw/zinc/24/29/79/583242979.db2.gz OPGODYAPOAILNW-VIFPVBQESA-N 1 2 223.276 0.823 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000893939567 583254947 /nfs/dbraw/zinc/25/49/47/583254947.db2.gz ZPJFHYUXYFJMQB-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000893939567 583254950 /nfs/dbraw/zinc/25/49/50/583254950.db2.gz ZPJFHYUXYFJMQB-ONGXEEELSA-N 1 2 241.287 0.870 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c2c(nn1C)CCC2 ZINC000893965457 583263078 /nfs/dbraw/zinc/26/30/78/583263078.db2.gz QKXAAXUIEHOFAK-UHFFFAOYSA-N 1 2 236.319 0.216 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c2c(nn1C)CCC2 ZINC000893965457 583263079 /nfs/dbraw/zinc/26/30/79/583263079.db2.gz QKXAAXUIEHOFAK-UHFFFAOYSA-N 1 2 236.319 0.216 20 0 BCADLO Cc1ncoc1C[N@@H+](CC(N)=O)CC(C)C ZINC000893953344 583261791 /nfs/dbraw/zinc/26/17/91/583261791.db2.gz SARDLHZQQLZGPH-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1ncoc1C[N@H+](CC(N)=O)CC(C)C ZINC000893953344 583261794 /nfs/dbraw/zinc/26/17/94/583261794.db2.gz SARDLHZQQLZGPH-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1n[nH]c(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1C ZINC000894094209 583299287 /nfs/dbraw/zinc/29/92/87/583299287.db2.gz JWYKVQUAKHNRNF-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1C ZINC000894094209 583299291 /nfs/dbraw/zinc/29/92/91/583299291.db2.gz JWYKVQUAKHNRNF-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO COC1C[NH+](C[C@@H](O)c2ccccn2)C1 ZINC000853064034 588718349 /nfs/dbraw/zinc/71/83/49/588718349.db2.gz PEUMSZAHZLAKGG-LLVKDONJSA-N 1 2 208.261 0.446 20 0 BCADLO C[N@H+](CCn1cccn1)CN1CCSC1=O ZINC000111169230 588726075 /nfs/dbraw/zinc/72/60/75/588726075.db2.gz RXFXNHVTVBPJEX-UHFFFAOYSA-N 1 2 240.332 0.941 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1CCSC1=O ZINC000111169230 588726076 /nfs/dbraw/zinc/72/60/76/588726076.db2.gz RXFXNHVTVBPJEX-UHFFFAOYSA-N 1 2 240.332 0.941 20 0 BCADLO Cc1nn(C[N@H+](C)CCC2CC2)c(=O)o1 ZINC000853502657 588746261 /nfs/dbraw/zinc/74/62/61/588746261.db2.gz FVLZMCFPBAECQK-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@@H+](C)CCC2CC2)c(=O)o1 ZINC000853502657 588746262 /nfs/dbraw/zinc/74/62/62/588746262.db2.gz FVLZMCFPBAECQK-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=O)o1 ZINC000853498926 588746285 /nfs/dbraw/zinc/74/62/85/588746285.db2.gz RQUZIDFLDZJRGP-JGVFFNPUSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=O)o1 ZINC000853498926 588746286 /nfs/dbraw/zinc/74/62/86/588746286.db2.gz RQUZIDFLDZJRGP-JGVFFNPUSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=O)o1 ZINC000853499870 588746289 /nfs/dbraw/zinc/74/62/89/588746289.db2.gz YBDMCPULAZUJCP-DTORHVGOSA-N 1 2 223.276 0.690 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=O)o1 ZINC000853499870 588746290 /nfs/dbraw/zinc/74/62/90/588746290.db2.gz YBDMCPULAZUJCP-DTORHVGOSA-N 1 2 223.276 0.690 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000853500307 588745956 /nfs/dbraw/zinc/74/59/56/588745956.db2.gz QDJOJCXYNMLUKW-OCAPTIKFSA-N 1 2 211.265 0.690 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000853500307 588745957 /nfs/dbraw/zinc/74/59/57/588745957.db2.gz QDJOJCXYNMLUKW-OCAPTIKFSA-N 1 2 211.265 0.690 20 0 BCADLO CCOc1cc(N[C@@H]2COC(=O)C2)nc(C)[nH+]1 ZINC000853640050 588751578 /nfs/dbraw/zinc/75/15/78/588751578.db2.gz XJXRXOSDWXKJCA-QMMMGPOBSA-N 1 2 237.259 0.911 20 0 BCADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(C)oc1=O ZINC000853497131 588746372 /nfs/dbraw/zinc/74/63/72/588746372.db2.gz QTOAFBYNZXAYMF-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(C)oc1=O ZINC000853497131 588746373 /nfs/dbraw/zinc/74/63/73/588746373.db2.gz QTOAFBYNZXAYMF-SNVBAGLBSA-N 1 2 241.291 0.461 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@H]1COCCO1 ZINC000853658810 588753178 /nfs/dbraw/zinc/75/31/78/588753178.db2.gz QECHAKPOCOCXDX-SECBINFHSA-N 1 2 232.280 0.325 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)COC(C)C)OC ZINC000853659677 588753291 /nfs/dbraw/zinc/75/32/91/588753291.db2.gz ZMXYLCGNCUOKTO-VIFPVBQESA-N 1 2 234.296 0.571 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCC1CC=CC1 ZINC000853668175 588754028 /nfs/dbraw/zinc/75/40/28/588754028.db2.gz WWRCSQYTLXXQFO-UHFFFAOYSA-N 1 2 239.319 0.783 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H](OC)[C@@H]1CCOC1 ZINC000853674385 588754763 /nfs/dbraw/zinc/75/47/63/588754763.db2.gz XMLBWCOYSLBUIH-BBBLOLIVSA-N 1 2 246.307 0.571 20 0 BCADLO Cc1ccc(Cn2cc(C(N)=O)nn2)c(C)[nH+]1 ZINC000853678361 588755278 /nfs/dbraw/zinc/75/52/78/588755278.db2.gz HKRWFQSHMYFELD-UHFFFAOYSA-N 1 2 231.259 0.437 20 0 BCADLO CCCn1ncnc1CO[NH+]=C(N)CCO ZINC000853686844 588756287 /nfs/dbraw/zinc/75/62/87/588756287.db2.gz GSXPLPHWVAQIBS-UHFFFAOYSA-N 1 2 227.268 0.069 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742514 588760789 /nfs/dbraw/zinc/76/07/89/588760789.db2.gz SHBGIVPCTGWGTP-VIFPVBQESA-N 1 2 246.307 0.715 20 0 BCADLO Cc1nccnc1C(=O)OCCn1cc[nH+]c1 ZINC000853935733 588769735 /nfs/dbraw/zinc/76/97/35/588769735.db2.gz KEMBRWVVNFSMIH-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO COCCOCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854293571 588782141 /nfs/dbraw/zinc/78/21/41/588782141.db2.gz OWVJXPRQLILPJA-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO CC[N@H+](CCn1ccccc1=O)CC(=O)OC ZINC000112091240 588782556 /nfs/dbraw/zinc/78/25/56/588782556.db2.gz XBSCQRFPYNUMLX-UHFFFAOYSA-N 1 2 238.287 0.343 20 0 BCADLO CC[N@@H+](CCn1ccccc1=O)CC(=O)OC ZINC000112091240 588782557 /nfs/dbraw/zinc/78/25/57/588782557.db2.gz XBSCQRFPYNUMLX-UHFFFAOYSA-N 1 2 238.287 0.343 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C(F)F)C1 ZINC000854369044 588785193 /nfs/dbraw/zinc/78/51/93/588785193.db2.gz YOFGUHSJSNTANC-ZETCQYMHSA-N 1 2 245.229 0.445 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(C1)CCCOC2 ZINC000854396888 588785863 /nfs/dbraw/zinc/78/58/63/588785863.db2.gz KYEHOFUVURJWOJ-ZDUSSCGKSA-N 1 2 249.314 0.981 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854499049 588789497 /nfs/dbraw/zinc/78/94/97/588789497.db2.gz QSBNXHWHMQNPSW-KOLCDFICSA-N 1 2 237.303 0.851 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854499048 588789507 /nfs/dbraw/zinc/78/95/07/588789507.db2.gz QSBNXHWHMQNPSW-GXSJLCMTSA-N 1 2 237.303 0.851 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854575525 588794973 /nfs/dbraw/zinc/79/49/73/588794973.db2.gz GALNXONLSRTCLZ-MRVPVSSYSA-N 1 2 223.276 0.324 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000854576928 588795237 /nfs/dbraw/zinc/79/52/37/588795237.db2.gz AKZMSCCZYDFXQJ-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO COCC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854601268 588796710 /nfs/dbraw/zinc/79/67/10/588796710.db2.gz RMBAXWSDUKIOMN-UHFFFAOYSA-N 1 2 225.292 0.741 20 0 BCADLO COC/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594052 588796256 /nfs/dbraw/zinc/79/62/56/588796256.db2.gz BTSRBRABBPPXFO-MPJRPATESA-N 1 2 209.249 0.790 20 0 BCADLO COCC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594052 588796257 /nfs/dbraw/zinc/79/62/57/588796257.db2.gz BTSRBRABBPPXFO-MPJRPATESA-N 1 2 209.249 0.790 20 0 BCADLO C[C@@H](NC(=O)[C@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000854594594 588796499 /nfs/dbraw/zinc/79/64/99/588796499.db2.gz NSGQUUMKEWDTTJ-SFYZADRCSA-N 1 2 225.292 0.994 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000854498246 588789644 /nfs/dbraw/zinc/78/96/44/588789644.db2.gz ANQZDTOMKBQWFB-NOZJJQNGSA-N 1 2 249.314 0.851 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC(C)=NO1 ZINC000854632593 588798189 /nfs/dbraw/zinc/79/81/89/588798189.db2.gz FAYZXIJSYJUUHB-LLVKDONJSA-N 1 2 249.270 0.871 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854639605 588798613 /nfs/dbraw/zinc/79/86/13/588798613.db2.gz DVBJLQNZRMDFCC-VIFPVBQESA-N 1 2 235.287 0.972 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854639605 588798614 /nfs/dbraw/zinc/79/86/14/588798614.db2.gz DVBJLQNZRMDFCC-VIFPVBQESA-N 1 2 235.287 0.972 20 0 BCADLO Cc1nnc(C(=O)N[C@@H]2CCn3cc[nH+]c32)s1 ZINC000854685433 588801189 /nfs/dbraw/zinc/80/11/89/588801189.db2.gz LDEAQFRSGSMHBY-SSDOTTSWSA-N 1 2 249.299 0.918 20 0 BCADLO C[C@@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000854759785 588804972 /nfs/dbraw/zinc/80/49/72/588804972.db2.gz BHPRIIASNDIHCD-MRVPVSSYSA-N 1 2 225.292 0.570 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC[C@@H]1O ZINC000854845618 588813225 /nfs/dbraw/zinc/81/32/25/588813225.db2.gz BZIFZLKMNKACRM-ZJUUUORDSA-N 1 2 237.303 0.620 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](O)C(F)F ZINC000854747667 588805225 /nfs/dbraw/zinc/80/52/25/588805225.db2.gz HIOBPCXWUPINAF-MUWHJKNJSA-N 1 2 247.245 0.473 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC(C)=NO1 ZINC000854803295 588811110 /nfs/dbraw/zinc/81/11/10/588811110.db2.gz RCAFVNJWZYRUTC-VIFPVBQESA-N 1 2 236.275 0.542 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC(C)=NO1 ZINC000854803295 588811111 /nfs/dbraw/zinc/81/11/11/588811111.db2.gz RCAFVNJWZYRUTC-VIFPVBQESA-N 1 2 236.275 0.542 20 0 BCADLO Cc1ccncc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854825880 588812396 /nfs/dbraw/zinc/81/23/96/588812396.db2.gz UMRROVHEUNMEPH-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](O)C(C)C ZINC000854938466 588817279 /nfs/dbraw/zinc/81/72/79/588817279.db2.gz MADLRQRMRGLPFE-SKDRFNHKSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H]1C[C@H](CO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854964973 588819209 /nfs/dbraw/zinc/81/92/09/588819209.db2.gz TYIPOIDEANRXRA-ZJUUUORDSA-N 1 2 237.303 0.429 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000854993997 588820076 /nfs/dbraw/zinc/82/00/76/588820076.db2.gz RXCXQLDTVQUFSX-AYMMMOKOSA-N 1 2 205.261 0.867 20 0 BCADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000855020094 588820493 /nfs/dbraw/zinc/82/04/93/588820493.db2.gz GKRYEZPPNRZKFV-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000855018434 588820568 /nfs/dbraw/zinc/82/05/68/588820568.db2.gz ZRPPBENGAKDRJL-HLTSFMKQSA-N 1 2 221.260 0.388 20 0 BCADLO CCC(F)(F)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000855025768 588820684 /nfs/dbraw/zinc/82/06/84/588820684.db2.gz INTLYFAOCJOTOP-SECBINFHSA-N 1 2 248.273 0.309 20 0 BCADLO CCC(F)(F)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000855025768 588820685 /nfs/dbraw/zinc/82/06/85/588820685.db2.gz INTLYFAOCJOTOP-SECBINFHSA-N 1 2 248.273 0.309 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)C1CCC1 ZINC000855265204 588826429 /nfs/dbraw/zinc/82/64/29/588826429.db2.gz GJNOMPKIELYJMW-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2cnn(C)c2)C1 ZINC000113240158 588827622 /nfs/dbraw/zinc/82/76/22/588827622.db2.gz KEWDRXCKQHHJFT-SNVBAGLBSA-N 1 2 236.319 0.678 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cnn(C)c2)C1 ZINC000113240158 588827623 /nfs/dbraw/zinc/82/76/23/588827623.db2.gz KEWDRXCKQHHJFT-SNVBAGLBSA-N 1 2 236.319 0.678 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+](C)CCn2cccn2)C1 ZINC000113245429 588828441 /nfs/dbraw/zinc/82/84/41/588828441.db2.gz QOLLFALJNGEMLI-LLVKDONJSA-N 1 2 236.319 0.641 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+](C)CCn2cccn2)C1 ZINC000113245429 588828442 /nfs/dbraw/zinc/82/84/42/588828442.db2.gz QOLLFALJNGEMLI-LLVKDONJSA-N 1 2 236.319 0.641 20 0 BCADLO Cn1nc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000859313575 582488666 /nfs/dbraw/zinc/48/86/66/582488666.db2.gz ZHJRVPPPPNIJDN-MYJAWHEDSA-N 1 2 241.722 0.744 20 0 BCADLO Cn1nc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000859313575 582488668 /nfs/dbraw/zinc/48/86/68/582488668.db2.gz ZHJRVPPPPNIJDN-MYJAWHEDSA-N 1 2 241.722 0.744 20 0 BCADLO CN(CCC(N)=O)C(=O)c1cccc2[nH+]ccn21 ZINC000804744454 582548445 /nfs/dbraw/zinc/54/84/45/582548445.db2.gz JYYDMDGIAVQCLE-UHFFFAOYSA-N 1 2 246.270 0.282 20 0 BCADLO CN(C)[C@@H](C(=O)N[C@@H]1C=CCC1)c1c[nH+]cn1C ZINC000855432856 588835758 /nfs/dbraw/zinc/83/57/58/588835758.db2.gz MOZPUCSQQLUQTA-ZYHUDNBSSA-N 1 2 248.330 0.858 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNC(=O)CC(N)=O ZINC000890854996 582581750 /nfs/dbraw/zinc/58/17/50/582581750.db2.gz KUZFVNXEVPVINX-UHFFFAOYSA-N 1 2 246.270 0.134 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CCCO ZINC000300833738 582592396 /nfs/dbraw/zinc/59/23/96/582592396.db2.gz PEZNOSOHOOITTP-UHFFFAOYSA-N 1 2 223.338 0.125 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CCCO ZINC000300833738 582592398 /nfs/dbraw/zinc/59/23/98/582592398.db2.gz PEZNOSOHOOITTP-UHFFFAOYSA-N 1 2 223.338 0.125 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891039071 582599804 /nfs/dbraw/zinc/59/98/04/582599804.db2.gz GFTZQMBZXWINBZ-MNOVXSKESA-N 1 2 235.287 0.424 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891041963 582599906 /nfs/dbraw/zinc/59/99/06/582599906.db2.gz LGFAMJCZSIFZHK-ZJUUUORDSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891047676 582601768 /nfs/dbraw/zinc/60/17/68/582601768.db2.gz RJKYEKCPEXSGTL-QWRGUYRKSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891052054 582603324 /nfs/dbraw/zinc/60/33/24/582603324.db2.gz YDFMWRNYLRKXPA-NWDGAFQWSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891052054 582603326 /nfs/dbraw/zinc/60/33/26/582603326.db2.gz YDFMWRNYLRKXPA-NWDGAFQWSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891060575 582605922 /nfs/dbraw/zinc/60/59/22/582605922.db2.gz WBLGDCJRAQPNKL-VXGBXAGGSA-N 1 2 249.314 0.814 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000891257441 582642539 /nfs/dbraw/zinc/64/25/39/582642539.db2.gz PKZNWGUHUJPTDF-GUBZILKMSA-N 1 2 235.287 0.869 20 0 BCADLO COCCN(CCF)C(=O)Cc1[nH]c[nH+]c1C ZINC000855594035 588841025 /nfs/dbraw/zinc/84/10/25/588841025.db2.gz NEDIDQGPCQVYNT-UHFFFAOYSA-N 1 2 243.282 0.705 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]1CO ZINC000891427454 582682633 /nfs/dbraw/zinc/68/26/33/582682633.db2.gz UZIVYNOSUPYYJL-SNVBAGLBSA-N 1 2 238.291 0.049 20 0 BCADLO CCN(CCO)c1nc(N)[nH+]c(C2CC2)n1 ZINC000891427867 582682657 /nfs/dbraw/zinc/68/26/57/582682657.db2.gz XJDNXQAJURIELZ-UHFFFAOYSA-N 1 2 223.280 0.150 20 0 BCADLO CCN(CCO)c1nc(N)nc(C2CC2)[nH+]1 ZINC000891427867 582682658 /nfs/dbraw/zinc/68/26/58/582682658.db2.gz XJDNXQAJURIELZ-UHFFFAOYSA-N 1 2 223.280 0.150 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1COC2(CCC2)C1 ZINC000855656254 588843848 /nfs/dbraw/zinc/84/38/48/588843848.db2.gz OMXUVYRQIHTSCO-SNVBAGLBSA-N 1 2 235.287 0.711 20 0 BCADLO C[N@H+](CCO)Cc1nc(Br)c[nH]1 ZINC000891443818 582686537 /nfs/dbraw/zinc/68/65/37/582686537.db2.gz DQJHEXVSGHTHCA-UHFFFAOYSA-N 1 2 234.097 0.596 20 0 BCADLO C[N@@H+](CCO)Cc1nc(Br)c[nH]1 ZINC000891443818 582686539 /nfs/dbraw/zinc/68/65/39/582686539.db2.gz DQJHEXVSGHTHCA-UHFFFAOYSA-N 1 2 234.097 0.596 20 0 BCADLO O=C(NC/C=C\Cl)NCC[NH+]1CCOCC1 ZINC000891449097 582688341 /nfs/dbraw/zinc/68/83/41/582688341.db2.gz JTNHWAGMTSNYLD-UPHRSURJSA-N 1 2 247.726 0.370 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnn(CC2CCC2)c1 ZINC000891582178 582698663 /nfs/dbraw/zinc/69/86/63/582698663.db2.gz OMCLUXHFQHRCAP-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnn(CC2CCC2)c1 ZINC000891582178 582698665 /nfs/dbraw/zinc/69/86/65/582698665.db2.gz OMCLUXHFQHRCAP-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO CC[C@H](CO)Nc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000891684716 582710040 /nfs/dbraw/zinc/71/00/40/582710040.db2.gz OCPBTVZPZFQDOO-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](CO)Nc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000891684716 582710043 /nfs/dbraw/zinc/71/00/43/582710043.db2.gz OCPBTVZPZFQDOO-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cn(CC)nc1C ZINC000891736119 582715575 /nfs/dbraw/zinc/71/55/75/582715575.db2.gz GSFOCQFBBDNNNF-UHFFFAOYSA-N 1 2 238.335 0.779 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cn(CC)nc1C ZINC000891736119 582715576 /nfs/dbraw/zinc/71/55/76/582715576.db2.gz GSFOCQFBBDNNNF-UHFFFAOYSA-N 1 2 238.335 0.779 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)cnc1F ZINC000891809877 582725622 /nfs/dbraw/zinc/72/56/22/582725622.db2.gz QBRAXNRXYSBCOT-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)cnc1F ZINC000891809877 582725623 /nfs/dbraw/zinc/72/56/23/582725623.db2.gz QBRAXNRXYSBCOT-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO CN(C)c1cc(NCc2cc[nH]n2)[nH+]cn1 ZINC000891822319 582726578 /nfs/dbraw/zinc/72/65/78/582726578.db2.gz MLWSAFAPDMYHTQ-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO CN(C)c1cc(NCc2cc[nH]n2)nc[nH+]1 ZINC000891822319 582726581 /nfs/dbraw/zinc/72/65/81/582726581.db2.gz MLWSAFAPDMYHTQ-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2c1OCC2 ZINC000891850842 582729504 /nfs/dbraw/zinc/72/95/04/582729504.db2.gz ZYUUVKDSOZKPCP-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1OCC2 ZINC000891850842 582729505 /nfs/dbraw/zinc/72/95/05/582729505.db2.gz ZYUUVKDSOZKPCP-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO CC(C)(C(=O)O[C@H]1CNOC1)c1c[nH+]c[nH]1 ZINC000848059037 582746957 /nfs/dbraw/zinc/74/69/57/582746957.db2.gz YEXKRCRQBASGGX-ZETCQYMHSA-N 1 2 225.248 0.134 20 0 BCADLO CC(C)(C(=O)O[C@H]1CNOC1)c1c[nH]c[nH+]1 ZINC000848059037 582746958 /nfs/dbraw/zinc/74/69/58/582746958.db2.gz YEXKRCRQBASGGX-ZETCQYMHSA-N 1 2 225.248 0.134 20 0 BCADLO O=c1cc(C[N@@H+]2CCn3cnnc3C2)cc[nH]1 ZINC000891976788 582750846 /nfs/dbraw/zinc/75/08/46/582750846.db2.gz QARIJDXYXCGGFP-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO O=c1cc(C[N@H+]2CCn3cnnc3C2)cc[nH]1 ZINC000891976788 582750849 /nfs/dbraw/zinc/75/08/49/582750849.db2.gz QARIJDXYXCGGFP-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO COCCOCCNc1cc(N(C)C)nc[nH+]1 ZINC000891999984 582758102 /nfs/dbraw/zinc/75/81/02/582758102.db2.gz KLJCNWAUQDUFBS-UHFFFAOYSA-N 1 2 240.307 0.618 20 0 BCADLO COCCOCCNc1cc(N(C)C)[nH+]cn1 ZINC000891999984 582758103 /nfs/dbraw/zinc/75/81/03/582758103.db2.gz KLJCNWAUQDUFBS-UHFFFAOYSA-N 1 2 240.307 0.618 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000892080329 582786880 /nfs/dbraw/zinc/78/68/80/582786880.db2.gz FQRJSJNCMMHCLD-JTQLQIEISA-N 1 2 238.287 0.951 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000892080329 582786885 /nfs/dbraw/zinc/78/68/85/582786885.db2.gz FQRJSJNCMMHCLD-JTQLQIEISA-N 1 2 238.287 0.951 20 0 BCADLO CNc1cc(N[C@@H](C)Cn2cncn2)nc[nH+]1 ZINC000892127120 582796261 /nfs/dbraw/zinc/79/62/61/582796261.db2.gz MHROSTYOWMIZRG-QMMMGPOBSA-N 1 2 233.279 0.610 20 0 BCADLO CNc1cc(N[C@@H](C)Cn2cncn2)[nH+]cn1 ZINC000892127120 582796263 /nfs/dbraw/zinc/79/62/63/582796263.db2.gz MHROSTYOWMIZRG-QMMMGPOBSA-N 1 2 233.279 0.610 20 0 BCADLO CCc1cc(N2CC(O)C2)nc(CC)[nH+]1 ZINC000892288452 582828327 /nfs/dbraw/zinc/82/83/27/582828327.db2.gz PENODCMOPUDAQC-UHFFFAOYSA-N 1 2 207.277 0.782 20 0 BCADLO CN(C)c1cc(NC[C@H](O)C2CC2)[nH+]cn1 ZINC000892320292 582842208 /nfs/dbraw/zinc/84/22/08/582842208.db2.gz VHNQDMYQGWRZJL-VIFPVBQESA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(NC[C@H](O)C2CC2)nc[nH+]1 ZINC000892320292 582842211 /nfs/dbraw/zinc/84/22/11/582842211.db2.gz VHNQDMYQGWRZJL-VIFPVBQESA-N 1 2 222.292 0.725 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000889336825 582848681 /nfs/dbraw/zinc/84/86/81/582848681.db2.gz IQPJVKYNUMDRBI-MNOVXSKESA-N 1 2 237.303 0.598 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOCC1CCC1 ZINC000856347633 588867571 /nfs/dbraw/zinc/86/75/71/588867571.db2.gz WYEGQAVLXOJJJD-UHFFFAOYSA-N 1 2 242.319 0.557 20 0 BCADLO COCc1nc(N(C)Cc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000892560618 582914131 /nfs/dbraw/zinc/91/41/31/582914131.db2.gz YARRYQDREGSAQV-UHFFFAOYSA-N 1 2 249.274 0.688 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2COC[C@@H]2C1 ZINC000856148679 588862824 /nfs/dbraw/zinc/86/28/24/588862824.db2.gz WKJDNLSILWVLHX-UWVGGRQHSA-N 1 2 235.287 0.447 20 0 BCADLO COCC[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000892602577 582925797 /nfs/dbraw/zinc/92/57/97/582925797.db2.gz CBTAZMCAPRAVDH-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(OC)no1 ZINC000851733352 582965346 /nfs/dbraw/zinc/96/53/46/582965346.db2.gz RYQSRLKCGJEWLU-UHFFFAOYSA-N 1 2 227.264 0.251 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(OC)no1 ZINC000851733352 582965348 /nfs/dbraw/zinc/96/53/48/582965348.db2.gz RYQSRLKCGJEWLU-UHFFFAOYSA-N 1 2 227.264 0.251 20 0 BCADLO C[C@@H](NC(=O)c1ncccn1)c1[nH+]ccn1C ZINC000856277732 588866604 /nfs/dbraw/zinc/86/66/04/588866604.db2.gz PNZPAAHXBZHGKP-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO CC[C@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851885757 582976103 /nfs/dbraw/zinc/97/61/03/582976103.db2.gz LEBUBIZJBUHBKO-NSHDSACASA-N 1 2 233.308 0.927 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281272 588867068 /nfs/dbraw/zinc/86/70/68/588867068.db2.gz NKCCTHADBGYZIP-BDAKNGLRSA-N 1 2 225.292 0.616 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892826497 582989552 /nfs/dbraw/zinc/98/95/52/582989552.db2.gz KEVMIKQHYZQWAW-VIFPVBQESA-N 1 2 249.318 0.257 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892826497 582989553 /nfs/dbraw/zinc/98/95/53/582989553.db2.gz KEVMIKQHYZQWAW-VIFPVBQESA-N 1 2 249.318 0.257 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnon1 ZINC000852002303 582992389 /nfs/dbraw/zinc/99/23/89/582992389.db2.gz CCZHMPSYBZWERF-WPRPVWTQSA-N 1 2 227.264 0.041 20 0 BCADLO O=C1CC[C@H](C[N@@H+]2CCOC[C@@]23CCOC3)O1 ZINC000852013291 582993303 /nfs/dbraw/zinc/99/33/03/582993303.db2.gz SZCBOIOIYHIYEB-PWSUYJOCSA-N 1 2 241.287 0.183 20 0 BCADLO O=C1CC[C@H](C[N@H+]2CCOC[C@@]23CCOC3)O1 ZINC000852013291 582993305 /nfs/dbraw/zinc/99/33/05/582993305.db2.gz SZCBOIOIYHIYEB-PWSUYJOCSA-N 1 2 241.287 0.183 20 0 BCADLO CC(C)[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892844494 582993873 /nfs/dbraw/zinc/99/38/73/582993873.db2.gz IBEFEZXVJYBDBR-SECBINFHSA-N 1 2 224.308 0.971 20 0 BCADLO CC(C)[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892844494 582993875 /nfs/dbraw/zinc/99/38/75/582993875.db2.gz IBEFEZXVJYBDBR-SECBINFHSA-N 1 2 224.308 0.971 20 0 BCADLO COCc1nccc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000892899381 583006588 /nfs/dbraw/zinc/00/65/88/583006588.db2.gz KOBBUKZOEJMBON-UHFFFAOYSA-N 1 2 245.286 0.881 20 0 BCADLO CCc1cc(NCCn2ncnn2)nc(CC)[nH+]1 ZINC000892913913 583008735 /nfs/dbraw/zinc/00/87/35/583008735.db2.gz KRNPOTABXQYDJW-UHFFFAOYSA-N 1 2 247.306 0.700 20 0 BCADLO CCC(=O)N1CC[C@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000892928559 583010948 /nfs/dbraw/zinc/01/09/48/583010948.db2.gz ISZBGLBARPMWLD-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO CCC(=O)N1CC[C@H](Nc2cc(NC)nc[nH+]2)C1 ZINC000892928559 583010950 /nfs/dbraw/zinc/01/09/50/583010950.db2.gz ISZBGLBARPMWLD-VIFPVBQESA-N 1 2 249.318 0.941 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@@]2(O)CCOC2)[nH+]1 ZINC000892981737 583024700 /nfs/dbraw/zinc/02/47/00/583024700.db2.gz UDEYDGDUFWMFQD-SKDRFNHKSA-N 1 2 238.287 0.698 20 0 BCADLO C[C@H](O)c1cccc(NC[C@@]2(O)CCOC2)[nH+]1 ZINC000892981734 583024892 /nfs/dbraw/zinc/02/48/92/583024892.db2.gz UDEYDGDUFWMFQD-CABZTGNLSA-N 1 2 238.287 0.698 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1O ZINC000893078190 583043097 /nfs/dbraw/zinc/04/30/97/583043097.db2.gz CEIXKGXDWXJJTJ-RKDXNWHRSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1O ZINC000893078190 583043098 /nfs/dbraw/zinc/04/30/98/583043098.db2.gz CEIXKGXDWXJJTJ-RKDXNWHRSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@H](O)c1cccc(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000893102539 583049612 /nfs/dbraw/zinc/04/96/12/583049612.db2.gz YQULWMUQBQTFDC-YUMQZZPRSA-N 1 2 221.260 0.435 20 0 BCADLO C[C@@H](C[S@@](C)=O)Nc1cc(N(C)C)nc[nH+]1 ZINC000893140615 583055764 /nfs/dbraw/zinc/05/57/64/583055764.db2.gz WKLUWZIHPSOFIV-ZKANADHPSA-N 1 2 242.348 0.722 20 0 BCADLO CNc1cc(N(C)C2CC(O)C2)nc[nH+]1 ZINC000893169116 583063286 /nfs/dbraw/zinc/06/32/86/583063286.db2.gz XJCTXONHLGCZJW-UHFFFAOYSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N(C)C2CC(O)C2)[nH+]cn1 ZINC000893169116 583063289 /nfs/dbraw/zinc/06/32/89/583063289.db2.gz XJCTXONHLGCZJW-UHFFFAOYSA-N 1 2 208.265 0.478 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000856764774 588876334 /nfs/dbraw/zinc/87/63/34/588876334.db2.gz NDVDWLSWNOUEOB-UHFFFAOYSA-N 1 2 230.699 0.251 20 0 BCADLO CC[C@]1(O)CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000893279850 583083218 /nfs/dbraw/zinc/08/32/18/583083218.db2.gz SNZGOUNGOBMJCF-LBPRGKRZSA-N 1 2 236.319 0.894 20 0 BCADLO CC[C@]1(O)CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000893279850 583083221 /nfs/dbraw/zinc/08/32/21/583083221.db2.gz SNZGOUNGOBMJCF-LBPRGKRZSA-N 1 2 236.319 0.894 20 0 BCADLO COCCOC1C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000893314791 583098353 /nfs/dbraw/zinc/09/83/53/583098353.db2.gz VVDFPJYIJSYFGC-UHFFFAOYSA-N 1 2 238.287 0.634 20 0 BCADLO CCO/C=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000840593144 583109812 /nfs/dbraw/zinc/10/98/12/583109812.db2.gz ZEDQTIUPOVQQHB-MEQVVJDKSA-N 1 2 243.303 0.801 20 0 BCADLO Cn1cc(C[NH2+][C@H]2CCNC2=O)c(Cl)n1 ZINC000856792908 588878370 /nfs/dbraw/zinc/87/83/70/588878370.db2.gz CBZPFHZZHJOGCF-ZETCQYMHSA-N 1 2 228.683 0.052 20 0 BCADLO C[C@H](O)c1cccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000893378501 583133185 /nfs/dbraw/zinc/13/31/85/583133185.db2.gz CHVIOQHNPUMMSP-UWVGGRQHSA-N 1 2 249.314 0.802 20 0 BCADLO CC[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000114607626 588878650 /nfs/dbraw/zinc/87/86/50/588878650.db2.gz AOKLABNGQBOWCJ-SNVBAGLBSA-N 1 2 215.293 0.908 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000893427248 583141387 /nfs/dbraw/zinc/14/13/87/583141387.db2.gz KJZWEPQSBHQJCP-HTRCEHHLSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000893427248 583141389 /nfs/dbraw/zinc/14/13/89/583141389.db2.gz KJZWEPQSBHQJCP-HTRCEHHLSA-N 1 2 235.291 0.291 20 0 BCADLO CNc1cc(N[C@@H](C)c2ncnn2C)nc[nH+]1 ZINC000893434193 583142835 /nfs/dbraw/zinc/14/28/35/583142835.db2.gz RMUAUTNNDWUBJK-ZETCQYMHSA-N 1 2 233.279 0.820 20 0 BCADLO CNc1cc(N[C@@H](C)c2ncnn2C)[nH+]cn1 ZINC000893434193 583142836 /nfs/dbraw/zinc/14/28/36/583142836.db2.gz RMUAUTNNDWUBJK-ZETCQYMHSA-N 1 2 233.279 0.820 20 0 BCADLO CC(C)ONC(=O)CCc1c[nH+]cn1C ZINC000857522003 583144172 /nfs/dbraw/zinc/14/41/72/583144172.db2.gz AAJRWYIAVZPSME-UHFFFAOYSA-N 1 2 211.265 0.809 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCn2cccc2)c1 ZINC000893514414 583155706 /nfs/dbraw/zinc/15/57/06/583155706.db2.gz YXOCOVQVFZBCEC-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO CCn1ccnc1C[NH2+]CCS(=O)(=O)CC ZINC000217798750 583172468 /nfs/dbraw/zinc/17/24/68/583172468.db2.gz RZWXQOWIFNUENB-UHFFFAOYSA-N 1 2 245.348 0.427 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(Cl)n1 ZINC000857026970 588882079 /nfs/dbraw/zinc/88/20/79/588882079.db2.gz XWQQFSMZPJASPJ-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(Cl)n1 ZINC000857026970 588882080 /nfs/dbraw/zinc/88/20/80/588882080.db2.gz XWQQFSMZPJASPJ-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO COCC[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893672562 583194111 /nfs/dbraw/zinc/19/41/11/583194111.db2.gz BBULNJQURLDEIH-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO COCC[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893672562 583194114 /nfs/dbraw/zinc/19/41/14/583194114.db2.gz BBULNJQURLDEIH-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(Cl)n1 ZINC000857039148 588883627 /nfs/dbraw/zinc/88/36/27/588883627.db2.gz AVHLSIDUVFLOSA-KOLCDFICSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(Cl)n1 ZINC000857039148 588883628 /nfs/dbraw/zinc/88/36/28/588883628.db2.gz AVHLSIDUVFLOSA-KOLCDFICSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1cc(C[N@H+](C)CCOCCO)c(Cl)n1 ZINC000857044448 588883901 /nfs/dbraw/zinc/88/39/01/588883901.db2.gz MPKBOODUTXALMA-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOCCO)c(Cl)n1 ZINC000857044448 588883902 /nfs/dbraw/zinc/88/39/02/588883902.db2.gz MPKBOODUTXALMA-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888861 583209205 /nfs/dbraw/zinc/20/92/05/583209205.db2.gz FCHIIUDIAUERHO-WPRPVWTQSA-N 1 2 237.303 0.331 20 0 BCADLO C[C@@H](O)c1cccc(NCc2cnn(C)n2)[nH+]1 ZINC000893849048 583232800 /nfs/dbraw/zinc/23/28/00/583232800.db2.gz VFFPVOVNDBEKRY-MRVPVSSYSA-N 1 2 233.275 0.876 20 0 BCADLO Cn1nc(Br)nc1C[N@H+](C)CCO ZINC000893871822 583237829 /nfs/dbraw/zinc/23/78/29/583237829.db2.gz RDLVPGMSMNSOFJ-UHFFFAOYSA-N 1 2 249.112 0.002 20 0 BCADLO Cn1nc(Br)nc1C[N@@H+](C)CCO ZINC000893871822 583237830 /nfs/dbraw/zinc/23/78/30/583237830.db2.gz RDLVPGMSMNSOFJ-UHFFFAOYSA-N 1 2 249.112 0.002 20 0 BCADLO NC(=O)C[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893881898 583241198 /nfs/dbraw/zinc/24/11/98/583241198.db2.gz DZGFVTIPNSHDMW-SECBINFHSA-N 1 2 245.286 0.431 20 0 BCADLO O=C1C[N@H+](Cc2cccc3c2NCCC3)CCN1 ZINC000893887655 583241516 /nfs/dbraw/zinc/24/15/16/583241516.db2.gz TYHQJFLRPJWMAK-UHFFFAOYSA-N 1 2 245.326 0.977 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3c2NCCC3)CCN1 ZINC000893887655 583241518 /nfs/dbraw/zinc/24/15/18/583241518.db2.gz TYHQJFLRPJWMAK-UHFFFAOYSA-N 1 2 245.326 0.977 20 0 BCADLO COCc1nccc(NCc2c[nH+]cn2C)n1 ZINC000893902889 583242939 /nfs/dbraw/zinc/24/29/39/583242939.db2.gz ZXJIUTCHTQFTIP-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO Cc1coc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000893914061 583246097 /nfs/dbraw/zinc/24/60/97/583246097.db2.gz AYPUPLAADXCMMZ-UHFFFAOYSA-N 1 2 237.303 0.191 20 0 BCADLO CNc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc[nH+]1 ZINC000893948797 583259313 /nfs/dbraw/zinc/25/93/13/583259313.db2.gz GNLJAURIMITYBM-BRPSZJMVSA-N 1 2 220.276 0.193 20 0 BCADLO CNc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]cn1 ZINC000893948797 583259316 /nfs/dbraw/zinc/25/93/16/583259316.db2.gz GNLJAURIMITYBM-BRPSZJMVSA-N 1 2 220.276 0.193 20 0 BCADLO COC(=O)CN(C)Cc1c(C)cc[nH+]c1N ZINC000893947478 583259487 /nfs/dbraw/zinc/25/94/87/583259487.db2.gz KMAUBMSXFSCXBA-UHFFFAOYSA-N 1 2 223.276 0.577 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000893974332 583265015 /nfs/dbraw/zinc/26/50/15/583265015.db2.gz UVZQBOAXTGWBQW-RQJHMYQMSA-N 1 2 227.264 0.980 20 0 BCADLO CC[C@H](CO)N(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894016246 583276339 /nfs/dbraw/zinc/27/63/39/583276339.db2.gz PJQFSTCVZNJPMQ-MRVPVSSYSA-N 1 2 237.307 0.538 20 0 BCADLO CC[C@H](CO)N(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894016246 583276341 /nfs/dbraw/zinc/27/63/41/583276341.db2.gz PJQFSTCVZNJPMQ-MRVPVSSYSA-N 1 2 237.307 0.538 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)c1cccc2[nH+]ccn21 ZINC000894183985 583331941 /nfs/dbraw/zinc/33/19/41/583331941.db2.gz PKFPAEDNJSFNIP-ZANVPECISA-N 1 2 243.266 0.853 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253359 583343343 /nfs/dbraw/zinc/34/33/43/583343343.db2.gz BFDRFYRYWLTVKV-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253359 583343345 /nfs/dbraw/zinc/34/33/45/583343345.db2.gz BFDRFYRYWLTVKV-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CN(C)c1cc(N[C@H]2CCNC(=O)CC2)[nH+]cn1 ZINC000894207052 583351297 /nfs/dbraw/zinc/35/12/97/583351297.db2.gz RFUICPNWOVPRCY-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(N[C@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000894207052 583351298 /nfs/dbraw/zinc/35/12/98/583351298.db2.gz RFUICPNWOVPRCY-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO O=C1C[N@H+](CCOCC(F)(F)F)CCCN1 ZINC000726789882 583374359 /nfs/dbraw/zinc/37/43/59/583374359.db2.gz HDKAESDCMBIPLJ-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO O=C1C[N@@H+](CCOCC(F)(F)F)CCCN1 ZINC000726789882 583374360 /nfs/dbraw/zinc/37/43/60/583374360.db2.gz HDKAESDCMBIPLJ-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790960 583374530 /nfs/dbraw/zinc/37/45/30/583374530.db2.gz JINSMDVNPCYTGK-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790960 583374532 /nfs/dbraw/zinc/37/45/32/583374532.db2.gz JINSMDVNPCYTGK-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000726790741 583374853 /nfs/dbraw/zinc/37/48/53/583374853.db2.gz CTRPDCPWZDVBCE-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000726790741 583374854 /nfs/dbraw/zinc/37/48/54/583374854.db2.gz CTRPDCPWZDVBCE-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000726791460 583374901 /nfs/dbraw/zinc/37/49/01/583374901.db2.gz DKLFWXVWHPDXMS-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000726791460 583374902 /nfs/dbraw/zinc/37/49/02/583374902.db2.gz DKLFWXVWHPDXMS-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000878482063 583376801 /nfs/dbraw/zinc/37/68/01/583376801.db2.gz JGKXCNSVTRVUOP-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000878482063 583376803 /nfs/dbraw/zinc/37/68/03/583376803.db2.gz JGKXCNSVTRVUOP-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894233556 583385319 /nfs/dbraw/zinc/38/53/19/583385319.db2.gz QICCUPSEYSXHNJ-DGFRNANFSA-N 1 2 235.291 0.657 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894233556 583385323 /nfs/dbraw/zinc/38/53/23/583385323.db2.gz QICCUPSEYSXHNJ-DGFRNANFSA-N 1 2 235.291 0.657 20 0 BCADLO CNc1cc(N[C@H]2C[C@@](C)(O)C2)[nH+]cn1 ZINC000894232951 583385673 /nfs/dbraw/zinc/38/56/73/583385673.db2.gz NFLJZLHIILYRLK-WKFQBHICSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC(=O)N1 ZINC000878680053 583392766 /nfs/dbraw/zinc/39/27/66/583392766.db2.gz OZOPTYCUPGCCNA-WISYIIOYSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC(=O)N1 ZINC000878680053 583392768 /nfs/dbraw/zinc/39/27/68/583392768.db2.gz OZOPTYCUPGCCNA-WISYIIOYSA-N 1 2 238.331 0.764 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878681393 583392971 /nfs/dbraw/zinc/39/29/71/583392971.db2.gz PRNOJPOJSUSBHA-LLVKDONJSA-N 1 2 249.376 0.512 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cocn2)C1(F)F ZINC000894276054 583405924 /nfs/dbraw/zinc/40/59/24/583405924.db2.gz MMGSZEMGOYLAOJ-YUMQZZPRSA-N 1 2 246.213 0.819 20 0 BCADLO O=C(Nc1nccs1)[C@@H]1COCC[NH2+]1 ZINC000083871874 583417592 /nfs/dbraw/zinc/41/75/92/583417592.db2.gz OFFOWDAXVOFTGT-LURJTMIESA-N 1 2 213.262 0.070 20 0 BCADLO CCN(OC)C(=O)CNc1cc(NC)[nH+]cn1 ZINC000894356306 583435016 /nfs/dbraw/zinc/43/50/16/583435016.db2.gz IJMWIDPXLCSLKM-UHFFFAOYSA-N 1 2 239.279 0.340 20 0 BCADLO CCN(OC)C(=O)CNc1cc(NC)nc[nH+]1 ZINC000894356306 583435017 /nfs/dbraw/zinc/43/50/17/583435017.db2.gz IJMWIDPXLCSLKM-UHFFFAOYSA-N 1 2 239.279 0.340 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CCC2=O)C[C@H]1F ZINC000857235088 588898902 /nfs/dbraw/zinc/89/89/02/588898902.db2.gz YPBMQMZPSUGEAT-RKDXNWHRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CCC2=O)C[C@H]1F ZINC000857235088 588898904 /nfs/dbraw/zinc/89/89/04/588898904.db2.gz YPBMQMZPSUGEAT-RKDXNWHRSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1[N@H+](CN2CCC2=O)CCOC1(C)C ZINC000857235270 588898943 /nfs/dbraw/zinc/89/89/43/588898943.db2.gz QIPAGVUMWLJWNY-SECBINFHSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1[N@@H+](CN2CCC2=O)CCOC1(C)C ZINC000857235270 588898944 /nfs/dbraw/zinc/89/89/44/588898944.db2.gz QIPAGVUMWLJWNY-SECBINFHSA-N 1 2 212.293 0.676 20 0 BCADLO CCc1cc(NCCn2cnnn2)nc(CC)[nH+]1 ZINC000894369679 583440318 /nfs/dbraw/zinc/44/03/18/583440318.db2.gz KSERPAQBARESDV-UHFFFAOYSA-N 1 2 247.306 0.700 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@@H]2COC)nc[nH+]1 ZINC000894389165 583445567 /nfs/dbraw/zinc/44/55/67/583445567.db2.gz MXJGAPWMYDUEOX-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@@H]2COC)[nH+]cn1 ZINC000894389165 583445568 /nfs/dbraw/zinc/44/55/68/583445568.db2.gz MXJGAPWMYDUEOX-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO Cc1c(C[N@H+](C)CN2CCC2=O)cnn1C ZINC000857235118 588899365 /nfs/dbraw/zinc/89/93/65/588899365.db2.gz OOUFMDKTJCZOAJ-UHFFFAOYSA-N 1 2 222.292 0.350 20 0 BCADLO Cc1c(C[N@@H+](C)CN2CCC2=O)cnn1C ZINC000857235118 588899366 /nfs/dbraw/zinc/89/93/66/588899366.db2.gz OOUFMDKTJCZOAJ-UHFFFAOYSA-N 1 2 222.292 0.350 20 0 BCADLO CNc1cc(N[C@H](CO)CCF)nc[nH+]1 ZINC000894404381 583450363 /nfs/dbraw/zinc/45/03/63/583450363.db2.gz UPTZFCKWZXVVCA-ZETCQYMHSA-N 1 2 214.244 0.651 20 0 BCADLO CNc1cc(N[C@H](CO)CCF)[nH+]cn1 ZINC000894404381 583450366 /nfs/dbraw/zinc/45/03/66/583450366.db2.gz UPTZFCKWZXVVCA-ZETCQYMHSA-N 1 2 214.244 0.651 20 0 BCADLO COC(=O)[C@H](CF)NCc1[nH+]ccn1C1CC1 ZINC000894514196 583476228 /nfs/dbraw/zinc/47/62/28/583476228.db2.gz FQHLSESOTDOEON-VIFPVBQESA-N 1 2 241.266 0.819 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2cc(C)on2)C1 ZINC000894541768 583480872 /nfs/dbraw/zinc/48/08/72/583480872.db2.gz CUSBEFXAHIQIMH-UHFFFAOYSA-N 1 2 239.275 0.913 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000894572166 583486072 /nfs/dbraw/zinc/48/60/72/583486072.db2.gz DJRWLXABVLDPLL-IONNQARKSA-N 1 2 249.318 0.681 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000894572166 583486073 /nfs/dbraw/zinc/48/60/73/583486073.db2.gz DJRWLXABVLDPLL-IONNQARKSA-N 1 2 249.318 0.681 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCC3)CC(=O)N1 ZINC000894728941 583513808 /nfs/dbraw/zinc/51/38/08/583513808.db2.gz MQVFUCHRVFBOCV-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CC(=O)N1 ZINC000894728941 583513809 /nfs/dbraw/zinc/51/38/09/583513809.db2.gz MQVFUCHRVFBOCV-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO CNc1cc(NC[C@@H](O)[C@H]2CCCO2)[nH+]cn1 ZINC000894724472 583514881 /nfs/dbraw/zinc/51/48/81/583514881.db2.gz JKIQCGVMZKZDKJ-RKDXNWHRSA-N 1 2 238.291 0.470 20 0 BCADLO CN1CCOC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000894762154 583518140 /nfs/dbraw/zinc/51/81/40/583518140.db2.gz ZMEOVJAQXSNUGJ-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO COC(=O)[C@@H](CF)NCc1c(C)cc[nH+]c1N ZINC000894781457 583520407 /nfs/dbraw/zinc/52/04/07/583520407.db2.gz PNXWVILXVUBATP-SECBINFHSA-N 1 2 241.266 0.573 20 0 BCADLO C[C@H](C1CC1)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806823 583522973 /nfs/dbraw/zinc/52/29/73/583522973.db2.gz RXEWHISUXPQREW-MRVPVSSYSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H](C1CC1)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806823 583522974 /nfs/dbraw/zinc/52/29/74/583522974.db2.gz RXEWHISUXPQREW-MRVPVSSYSA-N 1 2 222.292 0.385 20 0 BCADLO CO[C@@H](C)[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894810252 583523348 /nfs/dbraw/zinc/52/33/48/583523348.db2.gz STQJZTSXFSJDTJ-BDAKNGLRSA-N 1 2 240.307 0.009 20 0 BCADLO CO[C@@H](C)[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894810252 583523350 /nfs/dbraw/zinc/52/33/50/583523350.db2.gz STQJZTSXFSJDTJ-BDAKNGLRSA-N 1 2 240.307 0.009 20 0 BCADLO CC1(C[N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894808009 583523529 /nfs/dbraw/zinc/52/35/29/583523529.db2.gz ZRVDDGJPRMQKLD-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO CC1(C[N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894808009 583523533 /nfs/dbraw/zinc/52/35/33/583523533.db2.gz ZRVDDGJPRMQKLD-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO CCn1cc(C[NH+]2CC(C)(COC)C2)nn1 ZINC000894841843 583530717 /nfs/dbraw/zinc/53/07/17/583530717.db2.gz ZBBYWASZKZSDRK-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000894862265 583535118 /nfs/dbraw/zinc/53/51/18/583535118.db2.gz VWYLUDWLIXPIPD-XHNCKOQMSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000894862265 583535120 /nfs/dbraw/zinc/53/51/20/583535120.db2.gz VWYLUDWLIXPIPD-XHNCKOQMSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)CCO ZINC000894896585 583550138 /nfs/dbraw/zinc/55/01/38/583550138.db2.gz FUTRVNNSNOINEK-PSASIEDQSA-N 1 2 215.293 0.689 20 0 BCADLO CN(C)c1cc(NCC[C@@H](O)C(F)F)[nH+]cn1 ZINC000894915478 583555405 /nfs/dbraw/zinc/55/54/05/583555405.db2.gz MRQBBZKAALVPAY-SSDOTTSWSA-N 1 2 246.261 0.971 20 0 BCADLO CN(C)c1cc(NCC[C@@H](O)C(F)F)nc[nH+]1 ZINC000894915478 583555406 /nfs/dbraw/zinc/55/54/06/583555406.db2.gz MRQBBZKAALVPAY-SSDOTTSWSA-N 1 2 246.261 0.971 20 0 BCADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)C(C)(C)O ZINC000894914786 583555734 /nfs/dbraw/zinc/55/57/34/583555734.db2.gz YJZICDNGVAJONK-QMMMGPOBSA-N 1 2 240.307 0.379 20 0 BCADLO COc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000894943489 583557279 /nfs/dbraw/zinc/55/72/79/583557279.db2.gz KYKHIWVEQMWBSO-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000894943489 583557281 /nfs/dbraw/zinc/55/72/81/583557281.db2.gz KYKHIWVEQMWBSO-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@@H]1CCO1 ZINC000894972265 583561348 /nfs/dbraw/zinc/56/13/48/583561348.db2.gz OUGRUBCJQIZPNU-MWLCHTKSSA-N 1 2 231.292 0.069 20 0 BCADLO CCOC1C[NH+](C[C@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894971451 583561363 /nfs/dbraw/zinc/56/13/63/583561363.db2.gz ZJKVEEPLFRAUBJ-DTWKUNHWSA-N 1 2 249.257 0.761 20 0 BCADLO CC[C@](C)(C[NH2+][C@](C)(CO)C(=O)OC)OC ZINC000894972229 583561375 /nfs/dbraw/zinc/56/13/75/583561375.db2.gz NQXAPLWETHWFRW-GHMZBOCLSA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH+]2CC(C)(O)C2)C1(F)F ZINC000894977472 583563436 /nfs/dbraw/zinc/56/34/36/583563436.db2.gz SPKZEQCTTSLNQW-RQJHMYQMSA-N 1 2 235.230 0.107 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH+]2CC(C)(O)C2)C1(F)F ZINC000894977471 583563512 /nfs/dbraw/zinc/56/35/12/583563512.db2.gz SPKZEQCTTSLNQW-RNFRBKRXSA-N 1 2 235.230 0.107 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NOC/C=C\Cl)c1 ZINC000894990814 583563821 /nfs/dbraw/zinc/56/38/21/583563821.db2.gz HJFTYOJVJYPINC-IHWYPQMZSA-N 1 2 244.682 0.903 20 0 BCADLO CNC(=O)[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895035138 583570530 /nfs/dbraw/zinc/57/05/30/583570530.db2.gz XWRZYHHJHHWOOI-JTQLQIEISA-N 1 2 236.319 0.594 20 0 BCADLO CNC(=O)[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895035138 583570531 /nfs/dbraw/zinc/57/05/31/583570531.db2.gz XWRZYHHJHHWOOI-JTQLQIEISA-N 1 2 236.319 0.594 20 0 BCADLO CC(C)OC(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000793435805 583586952 /nfs/dbraw/zinc/58/69/52/583586952.db2.gz ZAHLMFPSPADJNX-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)OC(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000793435805 583586954 /nfs/dbraw/zinc/58/69/54/583586954.db2.gz ZAHLMFPSPADJNX-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1c[nH+]cn1C ZINC000895112411 583591130 /nfs/dbraw/zinc/59/11/30/583591130.db2.gz DIQSCITVKJJZOI-IVZWLZJFSA-N 1 2 236.319 0.517 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nnc(C)s1 ZINC000895113750 583591570 /nfs/dbraw/zinc/59/15/70/583591570.db2.gz AHUWIYJROSKGPY-UHFFFAOYSA-N 1 2 244.320 0.346 20 0 BCADLO Cc1c[nH]c(CN2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)[nH+]1 ZINC000895122458 583596211 /nfs/dbraw/zinc/59/62/11/583596211.db2.gz VFUSRVIQFNWXMJ-LPEHRKFASA-N 1 2 236.319 0.815 20 0 BCADLO Cc1nccnc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895121861 583596328 /nfs/dbraw/zinc/59/63/28/583596328.db2.gz RVRJBXVNOPSRKT-DVVUODLYSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1nccnc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895121861 583596329 /nfs/dbraw/zinc/59/63/29/583596329.db2.gz RVRJBXVNOPSRKT-DVVUODLYSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1c[nH]c(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)[nH+]1 ZINC000895122461 583596542 /nfs/dbraw/zinc/59/65/42/583596542.db2.gz VFUSRVIQFNWXMJ-OPRDCNLKSA-N 1 2 236.319 0.815 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1[nH+]ccn1C1CC1 ZINC000895126799 583598067 /nfs/dbraw/zinc/59/80/67/583598067.db2.gz ZHKDDXUZMNMDGW-SECBINFHSA-N 1 2 234.303 0.838 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@](C)(C(N)=O)C2)c1C ZINC000882294755 583603684 /nfs/dbraw/zinc/60/36/84/583603684.db2.gz WFRGTEIUFVELIL-GFCCVEGCSA-N 1 2 234.303 0.795 20 0 BCADLO CNc1cc(N2C[C@H]3C[C@@]3(O)C2)nc[nH+]1 ZINC000895157170 583608019 /nfs/dbraw/zinc/60/80/19/583608019.db2.gz QADLRERWOUOHGC-GMSGAONNSA-N 1 2 206.249 0.089 20 0 BCADLO CNc1cc(N2C[C@H]3C[C@@]3(O)C2)[nH+]cn1 ZINC000895157170 583608020 /nfs/dbraw/zinc/60/80/20/583608020.db2.gz QADLRERWOUOHGC-GMSGAONNSA-N 1 2 206.249 0.089 20 0 BCADLO CC[C@](C)(C[NH2+][C@@H](C)c1n[nH]c(=O)n1C)OC ZINC000895170501 583612360 /nfs/dbraw/zinc/61/23/60/583612360.db2.gz DUUCXSDYGAYMQX-GZMMTYOYSA-N 1 2 242.323 0.986 20 0 BCADLO C[C@H]([NH2+]CC1(F)CC1)C1N=NC(=O)N1C ZINC000895177184 583616515 /nfs/dbraw/zinc/61/65/15/583616515.db2.gz VPSGMNZKKNDRCF-LURJTMIESA-N 1 2 214.244 0.673 20 0 BCADLO C[C@H]([NH2+][C@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179362 583617027 /nfs/dbraw/zinc/61/70/27/583617027.db2.gz HRGUWWLUZQCJAA-BQBZGAKWSA-N 1 2 228.321 0.677 20 0 BCADLO Cc1nsc(C(=O)NCC[NH+]2CCC2)n1 ZINC000794746483 583618960 /nfs/dbraw/zinc/61/89/60/583618960.db2.gz XHTGTSIDIHRRLA-UHFFFAOYSA-N 1 2 226.305 0.282 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nccn1C ZINC000857773206 588910892 /nfs/dbraw/zinc/91/08/92/588910892.db2.gz LPARMBGGNNPCKU-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO COC/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942599 588924261 /nfs/dbraw/zinc/92/42/61/588924261.db2.gz CPETVFDQGOOCRH-VMZHVLLKSA-N 1 2 235.287 0.517 20 0 BCADLO CC(=O)NCCC[N@@H+]1Cc2ccncc2C1 ZINC000857874999 588918024 /nfs/dbraw/zinc/91/80/24/588918024.db2.gz DJJYDRYLXZZKHN-UHFFFAOYSA-N 1 2 219.288 0.923 20 0 BCADLO CC(=O)NCCC[N@H+]1Cc2ccncc2C1 ZINC000857874999 588918026 /nfs/dbraw/zinc/91/80/26/588918026.db2.gz DJJYDRYLXZZKHN-UHFFFAOYSA-N 1 2 219.288 0.923 20 0 BCADLO CCn1ncc(C[NH2+]C[C@@H]2CC(C)=NO2)n1 ZINC000895299875 583641937 /nfs/dbraw/zinc/64/19/37/583641937.db2.gz HPTVASNGPPCTBS-JTQLQIEISA-N 1 2 223.280 0.552 20 0 BCADLO CC1=NO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000895308531 583646518 /nfs/dbraw/zinc/64/65/18/583646518.db2.gz MONLGPMUKHHWKQ-SECBINFHSA-N 1 2 209.253 0.070 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000895330345 583653373 /nfs/dbraw/zinc/65/33/73/583653373.db2.gz LHSLGLKLXCEDAF-GHMZBOCLSA-N 1 2 225.292 0.036 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000895330345 583653375 /nfs/dbraw/zinc/65/33/75/583653375.db2.gz LHSLGLKLXCEDAF-GHMZBOCLSA-N 1 2 225.292 0.036 20 0 BCADLO C[C@@H]1C[C@@H](C[N@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397306 583664877 /nfs/dbraw/zinc/66/48/77/583664877.db2.gz FJLKOYFBAXFJTB-ZJUUUORDSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[C@@H](C[N@@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397306 583664878 /nfs/dbraw/zinc/66/48/78/583664878.db2.gz FJLKOYFBAXFJTB-ZJUUUORDSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[C@@H](C[N@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397301 583664913 /nfs/dbraw/zinc/66/49/13/583664913.db2.gz FJLKOYFBAXFJTB-UWVGGRQHSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H]1C[C@@H](C[N@@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397301 583664914 /nfs/dbraw/zinc/66/49/14/583664914.db2.gz FJLKOYFBAXFJTB-UWVGGRQHSA-N 1 2 247.360 0.530 20 0 BCADLO CO[C@@H](C[N@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895400179 583665968 /nfs/dbraw/zinc/66/59/68/583665968.db2.gz YAWSUDGZIRHDOZ-JTQLQIEISA-N 1 2 233.333 0.140 20 0 BCADLO CO[C@@H](C[N@@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895400179 583665970 /nfs/dbraw/zinc/66/59/70/583665970.db2.gz YAWSUDGZIRHDOZ-JTQLQIEISA-N 1 2 233.333 0.140 20 0 BCADLO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccon1 ZINC000895399319 583666225 /nfs/dbraw/zinc/66/62/25/583666225.db2.gz AKLPTNDVSZYHMP-UHFFFAOYSA-N 1 2 223.276 0.775 20 0 BCADLO CC1(C)CC(=O)NCC[N@H+]1Cc1ccon1 ZINC000895399319 583666226 /nfs/dbraw/zinc/66/62/26/583666226.db2.gz AKLPTNDVSZYHMP-UHFFFAOYSA-N 1 2 223.276 0.775 20 0 BCADLO CC1(C)CC(=O)NCC[N@H+]1Cc1cocn1 ZINC000895400907 583666639 /nfs/dbraw/zinc/66/66/39/583666639.db2.gz ZWBPZCBWAXYJIP-UHFFFAOYSA-N 1 2 223.276 0.775 20 0 BCADLO CC1(C)CC(=O)NCC[N@@H+]1Cc1cocn1 ZINC000895400907 583666638 /nfs/dbraw/zinc/66/66/38/583666638.db2.gz ZWBPZCBWAXYJIP-UHFFFAOYSA-N 1 2 223.276 0.775 20 0 BCADLO CO[C@@]1(C(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000895427121 583667967 /nfs/dbraw/zinc/66/79/67/583667967.db2.gz FILNGVNPZFQTQI-NSHDSACASA-N 1 2 244.360 0.283 20 0 BCADLO CCn1cc(C[NH2+]C[C@H]2CC(C)=NO2)nn1 ZINC000895429847 583669033 /nfs/dbraw/zinc/66/90/33/583669033.db2.gz WSCISMBQRZBPGE-SNVBAGLBSA-N 1 2 223.280 0.552 20 0 BCADLO CCn1cc(C[NH2+]C[C@@H]2CC(C)=NO2)nn1 ZINC000895429846 583669140 /nfs/dbraw/zinc/66/91/40/583669140.db2.gz WSCISMBQRZBPGE-JTQLQIEISA-N 1 2 223.280 0.552 20 0 BCADLO O=C(CC1(O)CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884906 588920514 /nfs/dbraw/zinc/92/05/14/588920514.db2.gz HFLRQJAAVJSKFK-VIFPVBQESA-N 1 2 235.287 0.229 20 0 BCADLO CCC(F)(F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884469 588920668 /nfs/dbraw/zinc/92/06/68/588920668.db2.gz IPCLDLCDIQLXJC-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO CCC(F)(F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884470 588920678 /nfs/dbraw/zinc/92/06/78/588920678.db2.gz IPCLDLCDIQLXJC-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884635 588920786 /nfs/dbraw/zinc/92/07/86/588920786.db2.gz DSSIDQOMVKTILL-JLVKAVFRSA-N 1 2 247.298 0.517 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884533 588920807 /nfs/dbraw/zinc/92/08/07/588920807.db2.gz KAPYDYXBPZHSJW-YGEYTSGZSA-N 1 2 247.298 0.659 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000895473317 583679240 /nfs/dbraw/zinc/67/92/40/583679240.db2.gz MNKOISUVHBPGKO-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000895473317 583679239 /nfs/dbraw/zinc/67/92/39/583679239.db2.gz MNKOISUVHBPGKO-UHFFFAOYSA-N 1 2 236.319 0.475 20 0 BCADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nc1 ZINC000857890672 588921063 /nfs/dbraw/zinc/92/10/63/588921063.db2.gz YHPIKMHPASBCHB-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccnc1F ZINC000857885949 588921101 /nfs/dbraw/zinc/92/11/01/588921101.db2.gz QSPVXVXBXYRVHE-QMMMGPOBSA-N 1 2 246.245 0.772 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(F)n1 ZINC000857890432 588921109 /nfs/dbraw/zinc/92/11/09/588921109.db2.gz VKJVKYTZLAQKFJ-MRVPVSSYSA-N 1 2 246.245 0.772 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC=CO1 ZINC000857888295 588921147 /nfs/dbraw/zinc/92/11/47/588921147.db2.gz XZDVCWONPWLHBR-ONGXEEELSA-N 1 2 233.271 0.617 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=COCCC1 ZINC000857887466 588921413 /nfs/dbraw/zinc/92/14/13/588921413.db2.gz LFBCCTSGLYEGDW-SNVBAGLBSA-N 1 2 233.271 0.618 20 0 BCADLO O=C(CC1(O)CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888910 588921424 /nfs/dbraw/zinc/92/14/24/588921424.db2.gz GFGXTXJVBAXLIF-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO O=C(/C=C/C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890440 588921440 /nfs/dbraw/zinc/92/14/40/588921440.db2.gz VMTGPYXDIBUARL-HMDXOVGESA-N 1 2 217.272 0.890 20 0 BCADLO Cc1cnc(Cl)c(C[NH+](CCO)CCO)c1 ZINC000895540831 583688001 /nfs/dbraw/zinc/68/80/01/583688001.db2.gz KUPRHYPQVKWYLM-UHFFFAOYSA-N 1 2 244.722 0.830 20 0 BCADLO CC[C@@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618513 583697018 /nfs/dbraw/zinc/69/70/18/583697018.db2.gz JCMSGPYSAUIDPO-SECBINFHSA-N 1 2 224.308 0.364 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(Cl)n1 ZINC000895645190 583700586 /nfs/dbraw/zinc/70/05/86/583700586.db2.gz OEOFPXICNCHQTD-WPRPVWTQSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(Cl)n1 ZINC000895645190 583700587 /nfs/dbraw/zinc/70/05/87/583700587.db2.gz OEOFPXICNCHQTD-WPRPVWTQSA-N 1 2 227.695 0.640 20 0 BCADLO COc1nccnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895655640 583701902 /nfs/dbraw/zinc/70/19/02/583701902.db2.gz WHIPTFTZONXXNM-LDYMZIIASA-N 1 2 221.260 0.052 20 0 BCADLO COc1nccnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895655640 583701903 /nfs/dbraw/zinc/70/19/03/583701903.db2.gz WHIPTFTZONXXNM-LDYMZIIASA-N 1 2 221.260 0.052 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CO)c[nH+]1 ZINC000895662954 583702567 /nfs/dbraw/zinc/70/25/67/583702567.db2.gz HJLALPSEZXBUBF-VIFPVBQESA-N 1 2 225.292 0.424 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NC[C@H](C)O)c[nH+]1 ZINC000895663999 583702857 /nfs/dbraw/zinc/70/28/57/583702857.db2.gz VAXPTNRSEGYNPE-VIFPVBQESA-N 1 2 225.292 0.424 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](C)CO1 ZINC000895703228 583709620 /nfs/dbraw/zinc/70/96/20/583709620.db2.gz ATOSRODNGVECAU-HBNTYKKESA-N 1 2 237.303 0.813 20 0 BCADLO CC[C@H]1C[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)CCO1 ZINC000895743276 583716057 /nfs/dbraw/zinc/71/60/57/583716057.db2.gz FKPLQPMESURJCO-ZNSHCXBVSA-N 1 2 245.319 0.456 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000857941453 588924253 /nfs/dbraw/zinc/92/42/53/588924253.db2.gz HFGQBGOATTXAHJ-ONGXEEELSA-N 1 2 248.286 0.479 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895808871 583729394 /nfs/dbraw/zinc/72/93/94/583729394.db2.gz VFIHXBPMDCKBTO-CIUDSAMLSA-N 1 2 227.260 0.233 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808585 583729845 /nfs/dbraw/zinc/72/98/45/583729845.db2.gz KTDIXTDNBHPYAL-BBBLOLIVSA-N 1 2 213.277 0.849 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)Nc1nnc(C)o1 ZINC000895800553 583730702 /nfs/dbraw/zinc/73/07/02/583730702.db2.gz ADHVKEWWMDEVEP-SNVBAGLBSA-N 1 2 240.307 0.901 20 0 BCADLO COC1(C[NH2+][C@H]2CCOC2=O)CCCC1 ZINC000895803843 583731575 /nfs/dbraw/zinc/73/15/75/583731575.db2.gz LMROAYXTVMVMTP-VIFPVBQESA-N 1 2 213.277 0.851 20 0 BCADLO C[C@H]1CSC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000895807123 583732292 /nfs/dbraw/zinc/73/22/92/583732292.db2.gz KFLNCSMXGKVTBT-FXQIFTODSA-N 1 2 201.291 0.643 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)[C@H]1SC ZINC000895807430 583732915 /nfs/dbraw/zinc/73/29/15/583732915.db2.gz OEMQMQQLMUSMQN-SGIHWFKDSA-N 1 2 245.344 0.801 20 0 BCADLO O=C1OCC[C@@H]1NCc1[nH+]ccn1C1CC1 ZINC000895811950 583733268 /nfs/dbraw/zinc/73/32/68/583733268.db2.gz LHFPWBVMVMAXRF-VIFPVBQESA-N 1 2 221.260 0.623 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000895817800 583733993 /nfs/dbraw/zinc/73/39/93/583733993.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000895817800 583733994 /nfs/dbraw/zinc/73/39/94/583733994.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000895817800 583733995 /nfs/dbraw/zinc/73/39/95/583733995.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000895817800 583733996 /nfs/dbraw/zinc/73/39/96/583733996.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 1 2 237.307 0.294 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nccn2C2CC2)C[C@@H]1O ZINC000895849684 583736648 /nfs/dbraw/zinc/73/66/48/583736648.db2.gz YXPLTUIRWUYUQL-MNOVXSKESA-N 1 2 237.303 0.146 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nccn2C2CC2)C[C@@H]1O ZINC000895849684 583736651 /nfs/dbraw/zinc/73/66/51/583736651.db2.gz YXPLTUIRWUYUQL-MNOVXSKESA-N 1 2 237.303 0.146 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984336 588925800 /nfs/dbraw/zinc/92/58/00/588925800.db2.gz BNWYCYRIVMJJHR-IQJOONFLSA-N 1 2 235.287 0.869 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCOCCF)c1 ZINC000895908157 583745192 /nfs/dbraw/zinc/74/51/92/583745192.db2.gz HIUGFEMVVDGGTF-UHFFFAOYSA-N 1 2 244.270 0.205 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cnccn1 ZINC000895922302 583746650 /nfs/dbraw/zinc/74/66/50/583746650.db2.gz RCURUFHFSCTOCO-OUAUKWLOSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cnccn1 ZINC000895922302 583746651 /nfs/dbraw/zinc/74/66/51/583746651.db2.gz RCURUFHFSCTOCO-OUAUKWLOSA-N 1 2 248.330 0.916 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC000857989997 588926134 /nfs/dbraw/zinc/92/61/34/588926134.db2.gz VKWZXCPYTADVFW-VIFPVBQESA-N 1 2 231.259 0.491 20 0 BCADLO CCCn1cc(C[NH+]2CC(COC)C2)nn1 ZINC000895976293 583753189 /nfs/dbraw/zinc/75/31/89/583753189.db2.gz NXVUZMWLLSFUFB-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000895968377 583755249 /nfs/dbraw/zinc/75/52/49/583755249.db2.gz MHNLRDAQZCPTIS-NSHDSACASA-N 1 2 210.277 0.830 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000895968377 583755250 /nfs/dbraw/zinc/75/52/50/583755250.db2.gz MHNLRDAQZCPTIS-NSHDSACASA-N 1 2 210.277 0.830 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000895969201 583755509 /nfs/dbraw/zinc/75/55/09/583755509.db2.gz ZFLIGPHTPWWQEY-QWRGUYRKSA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000895969201 583755510 /nfs/dbraw/zinc/75/55/10/583755510.db2.gz ZFLIGPHTPWWQEY-QWRGUYRKSA-N 1 2 213.277 0.984 20 0 BCADLO O=Cc1c[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857977956 588927021 /nfs/dbraw/zinc/92/70/21/588927021.db2.gz JUXAFCUQYKPQRZ-VIFPVBQESA-N 1 2 244.254 0.899 20 0 BCADLO Cc1nocc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895984019 583758699 /nfs/dbraw/zinc/75/86/99/583758699.db2.gz YLJVQVOEIYXTHD-VIFPVBQESA-N 1 2 244.316 0.648 20 0 BCADLO Cc1ncc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)o1 ZINC000895985679 583759069 /nfs/dbraw/zinc/75/90/69/583759069.db2.gz NHKVIAZHPGBULU-VIFPVBQESA-N 1 2 244.316 0.648 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ncc[nH]1 ZINC000857977746 588927081 /nfs/dbraw/zinc/92/70/81/588927081.db2.gz ZGOMIZUGOFHMKS-SSDOTTSWSA-N 1 2 217.232 0.481 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979863 588927483 /nfs/dbraw/zinc/92/74/83/588927483.db2.gz GEDZQUSWTHHANV-GUBZILKMSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cnco1 ZINC000857980821 588927540 /nfs/dbraw/zinc/92/75/40/588927540.db2.gz QQPJACMTCREEEA-SSDOTTSWSA-N 1 2 218.216 0.746 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCOC1 ZINC000857981690 588927726 /nfs/dbraw/zinc/92/77/26/588927726.db2.gz IOTCMYSWZZPLLW-CABZTGNLSA-N 1 2 235.287 0.871 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983050 588927793 /nfs/dbraw/zinc/92/77/93/588927793.db2.gz VJVPBBXQAJEPIV-IUCAKERBSA-N 1 2 223.276 0.463 20 0 BCADLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)on1 ZINC000857981798 588928017 /nfs/dbraw/zinc/92/80/17/588928017.db2.gz JFADZEDHIGDCPB-ZETCQYMHSA-N 1 2 248.242 0.755 20 0 BCADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)COC1 ZINC000857982784 588928068 /nfs/dbraw/zinc/92/80/68/588928068.db2.gz RYGYTJCXTCNEOL-QMMMGPOBSA-N 1 2 221.260 0.481 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1c[nH]c(=S)[nH]1 ZINC000857981482 588928115 /nfs/dbraw/zinc/92/81/15/588928115.db2.gz FOVDLAIIXGMPQS-LURJTMIESA-N 1 2 249.299 0.770 20 0 BCADLO O=C1C[C@@H](CCNc2cc(CO)cc[nH+]2)CN1 ZINC000896135954 583775650 /nfs/dbraw/zinc/77/56/50/583775650.db2.gz SMBJDMKROMACME-SECBINFHSA-N 1 2 235.287 0.512 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984206 588928435 /nfs/dbraw/zinc/92/84/35/588928435.db2.gz HOZMYQUTJZTRKQ-WCBMZHEXSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccncn1 ZINC000857983278 588928518 /nfs/dbraw/zinc/92/85/18/588928518.db2.gz ZJOJUEAMQSTRKZ-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)COC1 ZINC000857983399 588928947 /nfs/dbraw/zinc/92/89/47/588928947.db2.gz QWPBMQGPQXPSLH-SECBINFHSA-N 1 2 235.287 0.871 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987536 588929259 /nfs/dbraw/zinc/92/92/59/588929259.db2.gz VDNCDVPUWWHJHH-SKDRFNHKSA-N 1 2 237.303 0.995 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857985845 588929280 /nfs/dbraw/zinc/92/92/80/588929280.db2.gz QGEJTLIENXLQNK-QMMMGPOBSA-N 1 2 231.259 0.491 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cnc[nH]1 ZINC000857985596 588929380 /nfs/dbraw/zinc/92/93/80/588929380.db2.gz POBFXALAQPWOSA-ZETCQYMHSA-N 1 2 217.232 0.481 20 0 BCADLO C[NH+]1CCN(NC(=S)NC2(C)CCC2)CC1 ZINC000840703871 583797432 /nfs/dbraw/zinc/79/74/32/583797432.db2.gz NUVCXPYLGMMDAG-UHFFFAOYSA-N 1 2 242.392 0.556 20 0 BCADLO Fc1c[nH+]ccc1NCCO[C@@H]1CCOC1 ZINC000896474480 583805224 /nfs/dbraw/zinc/80/52/24/583805224.db2.gz WBBNGMDLWVGUFS-SECBINFHSA-N 1 2 226.251 0.860 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582465 583816346 /nfs/dbraw/zinc/81/63/46/583816346.db2.gz WYKMYBFBFBODJE-RHYQMDGZSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582465 583816348 /nfs/dbraw/zinc/81/63/48/583816348.db2.gz WYKMYBFBFBODJE-RHYQMDGZSA-N 1 2 239.363 0.393 20 0 BCADLO COC[C@H](OC)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896662779 583821711 /nfs/dbraw/zinc/82/17/11/583821711.db2.gz HTXIEIRPWROHBM-QMMMGPOBSA-N 1 2 241.291 0.954 20 0 BCADLO Cc1cc(N[C@H]2CCc3nnn(C)c3C2)nc[nH+]1 ZINC000896674886 583822418 /nfs/dbraw/zinc/82/24/18/583822418.db2.gz QNJRNUIORWAPHG-VIFPVBQESA-N 1 2 244.302 0.883 20 0 BCADLO C[N@H+](CCn1cncn1)[C@@H]1CC(C)(C)OC1=O ZINC000795651271 583829970 /nfs/dbraw/zinc/82/99/70/583829970.db2.gz JHHSESWUJLNPRU-SECBINFHSA-N 1 2 238.291 0.304 20 0 BCADLO C[N@@H+](CCn1cncn1)[C@@H]1CC(C)(C)OC1=O ZINC000795651271 583829976 /nfs/dbraw/zinc/82/99/76/583829976.db2.gz JHHSESWUJLNPRU-SECBINFHSA-N 1 2 238.291 0.304 20 0 BCADLO COC(=O)N1CCC([NH2+]Cc2cn[nH]n2)CC1 ZINC000858198635 588938552 /nfs/dbraw/zinc/93/85/52/588938552.db2.gz PTDRKRGBRONXJF-UHFFFAOYSA-N 1 2 239.279 0.125 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1nccn1C ZINC000858219648 588938563 /nfs/dbraw/zinc/93/85/63/588938563.db2.gz VNZVJLULMLWIAB-UHFFFAOYSA-N 1 2 240.307 0.310 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnnn2C)[nH+]c1C ZINC000896909525 583852604 /nfs/dbraw/zinc/85/26/04/583852604.db2.gz AZYOQLMRYYYKAH-UHFFFAOYSA-N 1 2 234.263 0.085 20 0 BCADLO Cc1[nH]c(CNC(=O)CCn2ccnn2)[nH+]c1C ZINC000896910932 583853118 /nfs/dbraw/zinc/85/31/18/583853118.db2.gz HHRXVFWXQFESCM-UHFFFAOYSA-N 1 2 248.290 0.325 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ccnn2C)[nH+]c1C ZINC000896922225 583856969 /nfs/dbraw/zinc/85/69/69/583856969.db2.gz YTHYRQJDGWKEAT-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO COCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921186 583857079 /nfs/dbraw/zinc/85/70/79/583857079.db2.gz IKGDSUGSVIURAN-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO CONC(=O)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000896925081 583857415 /nfs/dbraw/zinc/85/74/15/583857415.db2.gz SYJYGZKYPPJJFU-FKTRJACZSA-N 1 2 228.292 0.211 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CCc1cccnc1 ZINC000896924434 583857556 /nfs/dbraw/zinc/85/75/56/583857556.db2.gz MNHKFBPJDPQACN-SNVBAGLBSA-N 1 2 237.303 0.670 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000896924440 583857690 /nfs/dbraw/zinc/85/76/90/583857690.db2.gz MOIKHACKRZRFRE-RITPCOANSA-N 1 2 208.208 0.297 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)C1CCSCC1 ZINC000896925818 583858068 /nfs/dbraw/zinc/85/80/68/583858068.db2.gz ANNQBSNVLZRXLE-QMMMGPOBSA-N 1 2 232.349 0.785 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000896927007 583858756 /nfs/dbraw/zinc/85/87/56/583858756.db2.gz NUGZNOPZELLBMN-VHSXEESVSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000896928251 583859126 /nfs/dbraw/zinc/85/91/26/583859126.db2.gz YJWNLNNWAHUGHB-IUCAKERBSA-N 1 2 232.349 0.784 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000896928228 583859153 /nfs/dbraw/zinc/85/91/53/583859153.db2.gz YDWXQAIDBALIHP-VIFPVBQESA-N 1 2 238.287 0.590 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000896928223 583859160 /nfs/dbraw/zinc/85/91/60/583859160.db2.gz YDLDKFGKRHLQNS-RKDXNWHRSA-N 1 2 216.281 0.069 20 0 BCADLO CONC(=O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000896928165 583859631 /nfs/dbraw/zinc/85/96/31/583859631.db2.gz XMDXNXDYYPLRJB-LLVKDONJSA-N 1 2 234.299 0.984 20 0 BCADLO CCN(CCC(=O)NC)c1cc(NC)[nH+]cn1 ZINC000896976543 583865560 /nfs/dbraw/zinc/86/55/60/583865560.db2.gz BRJYDOXGYDRSFA-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CCN(CCC(=O)NC)c1cc(NC)nc[nH+]1 ZINC000896976543 583865561 /nfs/dbraw/zinc/86/55/61/583865561.db2.gz BRJYDOXGYDRSFA-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CCc1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000896971332 583866410 /nfs/dbraw/zinc/86/64/10/583866410.db2.gz PLUJHCZDPITYLZ-MXWKQRLJSA-N 1 2 237.303 0.725 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NCC[C@H](C)O)c[nH+]1 ZINC000897056555 583874512 /nfs/dbraw/zinc/87/45/12/583874512.db2.gz KWOFFCSDFNPBRX-JTQLQIEISA-N 1 2 239.319 0.814 20 0 BCADLO OCc1cc[nH+]c(N[C@@H]2CC23CC(O)C3)c1 ZINC000897086238 583878585 /nfs/dbraw/zinc/87/85/85/583878585.db2.gz BCFUFWQAEGGODY-SQLBVSGCSA-N 1 2 220.272 0.899 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)c1[nH+]cnc2c1cnn2C ZINC000897144716 583885282 /nfs/dbraw/zinc/88/52/82/583885282.db2.gz MYUXAZUWKCFAMH-VHSXEESVSA-N 1 2 247.302 0.977 20 0 BCADLO Cc1nc(NC2CC(CCO)C2)nc(N)[nH+]1 ZINC000897233102 583899475 /nfs/dbraw/zinc/89/94/75/583899475.db2.gz CVXHQCSMICQUMS-UHFFFAOYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC2CC(CCO)C2)[nH+]1 ZINC000897233102 583899476 /nfs/dbraw/zinc/89/94/76/583899476.db2.gz CVXHQCSMICQUMS-UHFFFAOYSA-N 1 2 223.280 0.335 20 0 BCADLO COc1c(N)[nH+]cnc1NC1CC(CCO)C1 ZINC000897233114 583899547 /nfs/dbraw/zinc/89/95/47/583899547.db2.gz DHOXFZQDANHNNP-UHFFFAOYSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC1CC(CCO)C1 ZINC000897233114 583899549 /nfs/dbraw/zinc/89/95/49/583899549.db2.gz DHOXFZQDANHNNP-UHFFFAOYSA-N 1 2 238.291 0.640 20 0 BCADLO Nc1nc(NC2CC(CCO)C2)nc(C2CC2)[nH+]1 ZINC000897236863 583900225 /nfs/dbraw/zinc/90/02/25/583900225.db2.gz WXBUYYWPGBOPQQ-UHFFFAOYSA-N 1 2 249.318 0.904 20 0 BCADLO Nc1nc(NC2CC(CCO)C2)[nH+]c(C2CC2)n1 ZINC000897236863 583900226 /nfs/dbraw/zinc/90/02/26/583900226.db2.gz WXBUYYWPGBOPQQ-UHFFFAOYSA-N 1 2 249.318 0.904 20 0 BCADLO COc1nn(C)cc1CNc1cc(CO)cc[nH+]1 ZINC000897242903 583901083 /nfs/dbraw/zinc/90/10/83/583901083.db2.gz RLESXXQKZYSDET-UHFFFAOYSA-N 1 2 248.286 0.928 20 0 BCADLO CNc1cc(NCc2cn(C)nc2OC)nc[nH+]1 ZINC000897242668 583901183 /nfs/dbraw/zinc/90/11/83/583901183.db2.gz FWGPAWOIABXGND-UHFFFAOYSA-N 1 2 248.290 0.873 20 0 BCADLO CNc1cc(NCc2cn(C)nc2OC)[nH+]cn1 ZINC000897242668 583901186 /nfs/dbraw/zinc/90/11/86/583901186.db2.gz FWGPAWOIABXGND-UHFFFAOYSA-N 1 2 248.290 0.873 20 0 BCADLO CCn1cc(C[NH2+]Cc2cncc(O)c2)nn1 ZINC000897305337 583913604 /nfs/dbraw/zinc/91/36/04/583913604.db2.gz SPHOWUJLHGFLKR-UHFFFAOYSA-N 1 2 233.275 0.688 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC2(CC(F)C2)C1 ZINC000866928773 583915952 /nfs/dbraw/zinc/91/59/52/583915952.db2.gz RMOWIPJVMSLCDM-VIFPVBQESA-N 1 2 239.250 0.404 20 0 BCADLO CONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000858301046 588943548 /nfs/dbraw/zinc/94/35/48/588943548.db2.gz XIMHEZWBOVEKIB-MRVPVSSYSA-N 1 2 209.249 0.432 20 0 BCADLO CCc1nc(N2CC[C@@H](O)[C@H](F)C2)cc[nH+]1 ZINC000897375613 583945422 /nfs/dbraw/zinc/94/54/22/583945422.db2.gz YWQHBHUWSXOCOY-RKDXNWHRSA-N 1 2 225.267 0.948 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1[nH]ncc1C ZINC000858319566 588944784 /nfs/dbraw/zinc/94/47/84/588944784.db2.gz NLGXRPUTKPMRNH-QMMMGPOBSA-N 1 2 226.280 0.216 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000858319566 588944786 /nfs/dbraw/zinc/94/47/86/588944786.db2.gz NLGXRPUTKPMRNH-QMMMGPOBSA-N 1 2 226.280 0.216 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)n(C)n1 ZINC000858323218 588945472 /nfs/dbraw/zinc/94/54/72/588945472.db2.gz RWEAAQDVZYQHEK-SECBINFHSA-N 1 2 240.307 0.226 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cscn1 ZINC000858325248 588945562 /nfs/dbraw/zinc/94/55/62/588945562.db2.gz RXSLJOSRBICPGF-SSDOTTSWSA-N 1 2 229.305 0.641 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2CO)[nH+]1 ZINC000889157547 583981990 /nfs/dbraw/zinc/98/19/90/583981990.db2.gz QQCQSINJIKIGBR-VIFPVBQESA-N 1 2 223.276 0.108 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]2CO)c[nH+]1 ZINC000889159451 583983070 /nfs/dbraw/zinc/98/30/70/583983070.db2.gz HKKFQUFMATWUOY-SNVBAGLBSA-N 1 2 237.303 0.520 20 0 BCADLO COC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729386853 583996936 /nfs/dbraw/zinc/99/69/36/583996936.db2.gz XBHSROSBWPRPOH-MRVPVSSYSA-N 1 2 202.254 0.063 20 0 BCADLO COC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729386853 583996939 /nfs/dbraw/zinc/99/69/39/583996939.db2.gz XBHSROSBWPRPOH-MRVPVSSYSA-N 1 2 202.254 0.063 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@]1(C)CO ZINC000864072435 584000220 /nfs/dbraw/zinc/00/02/20/584000220.db2.gz KQLNDNKJDKPFTC-BXKDBHETSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)CO ZINC000864072447 584000277 /nfs/dbraw/zinc/00/02/77/584000277.db2.gz KQLNDNKJDKPFTC-SKDRFNHKSA-N 1 2 237.303 0.429 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729649319 584021141 /nfs/dbraw/zinc/02/11/41/584021141.db2.gz XGVFINORANZBBL-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CNC(=S)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729646827 584021226 /nfs/dbraw/zinc/02/12/26/584021226.db2.gz DANQKKJLIYIMQC-BDAKNGLRSA-N 1 2 231.365 0.190 20 0 BCADLO OC[C@@H](O)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865624691 584025520 /nfs/dbraw/zinc/02/55/20/584025520.db2.gz WVMHGJCHERNXGV-YFKPBYRVSA-N 1 2 242.666 0.376 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2CCCCNC2=O)cn1 ZINC000729851834 584027382 /nfs/dbraw/zinc/02/73/82/584027382.db2.gz OTWKEUHXOFWQQY-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2CCCCNC2=O)cn1 ZINC000729851834 584027384 /nfs/dbraw/zinc/02/73/84/584027384.db2.gz OTWKEUHXOFWQQY-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO OCCCc1cn(-c2nccnc2F)c[nH+]1 ZINC000858399430 588951351 /nfs/dbraw/zinc/95/13/51/588951351.db2.gz FECSEUFTWAFJCM-UHFFFAOYSA-N 1 2 222.223 0.726 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC(C)(O)C2)c[nH+]1 ZINC000897692949 584041213 /nfs/dbraw/zinc/04/12/13/584041213.db2.gz GAGBXWRBXSQVKM-UHFFFAOYSA-N 1 2 237.303 0.520 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000897729838 584045803 /nfs/dbraw/zinc/04/58/03/584045803.db2.gz GBXRTKQGIWYQQN-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000897729836 584046017 /nfs/dbraw/zinc/04/60/17/584046017.db2.gz GBXRTKQGIWYQQN-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO C=Cn1cc(C[NH+]2CC(N3CCCC3=O)C2)cn1 ZINC000897784686 584048006 /nfs/dbraw/zinc/04/80/06/584048006.db2.gz YIMNWWHYDCPANC-UHFFFAOYSA-N 1 2 246.314 0.790 20 0 BCADLO Cc1[nH]c(CN2CC(N3CCCC3=O)C2)[nH+]c1C ZINC000897785056 584048413 /nfs/dbraw/zinc/04/84/13/584048413.db2.gz RUMPDLPZAUKHEY-UHFFFAOYSA-N 1 2 248.330 0.833 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000897795473 584049456 /nfs/dbraw/zinc/04/94/56/584049456.db2.gz GRYBHZOIZWQOIR-GZMMTYOYSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000897795473 584049459 /nfs/dbraw/zinc/04/94/59/584049459.db2.gz GRYBHZOIZWQOIR-GZMMTYOYSA-N 1 2 235.287 0.719 20 0 BCADLO CCC[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OC ZINC000897834697 584052582 /nfs/dbraw/zinc/05/25/82/584052582.db2.gz WTMBYMLAEZKSDZ-NXEZZACHSA-N 1 2 242.319 0.586 20 0 BCADLO Cc1nc(C[NH2+][C@]2(C)CCNC2=O)[nH]c1C ZINC000897867734 584055041 /nfs/dbraw/zinc/05/50/41/584055041.db2.gz AEYJLYUJZJNCLW-LLVKDONJSA-N 1 2 222.292 0.395 20 0 BCADLO Cc1[nH]c(CN[C@]2(C)CCNC2=O)[nH+]c1C ZINC000897867734 584055045 /nfs/dbraw/zinc/05/50/45/584055045.db2.gz AEYJLYUJZJNCLW-LLVKDONJSA-N 1 2 222.292 0.395 20 0 BCADLO COc1nccc(C[NH2+]Cc2cn(C)cn2)n1 ZINC000898043605 584081206 /nfs/dbraw/zinc/08/12/06/584081206.db2.gz VGMZVGBDJMQSMC-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO COc1nccc(CNCc2cn(C)c[nH+]2)n1 ZINC000898043605 584081207 /nfs/dbraw/zinc/08/12/07/584081207.db2.gz VGMZVGBDJMQSMC-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CCn1c[nH+]cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898186443 584093502 /nfs/dbraw/zinc/09/35/02/584093502.db2.gz ALGCRHBGIUNEOP-MNOVXSKESA-N 1 2 227.283 0.808 20 0 BCADLO C/C=C\CNC(=O)NCc1c[nH+]cn1C ZINC000858464502 588957509 /nfs/dbraw/zinc/95/75/09/588957509.db2.gz KTCAEOFHCLINJM-ARJAWSKDSA-N 1 2 208.265 0.795 20 0 BCADLO CCOCCOCCNC(=O)Cn1cc[nH+]c1 ZINC000885752063 588958001 /nfs/dbraw/zinc/95/80/01/588958001.db2.gz FEEYFSXJFBWLMK-UHFFFAOYSA-N 1 2 241.291 0.052 20 0 BCADLO COC(=O)Cn1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000898428879 584133159 /nfs/dbraw/zinc/13/31/59/584133159.db2.gz KAGFSQUSYSSELC-NSCUHMNNSA-N 1 2 244.682 0.293 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCCO1 ZINC000898484639 584139459 /nfs/dbraw/zinc/13/94/59/584139459.db2.gz VMGQBZKSYAOOLJ-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CCCO1 ZINC000898484639 584139460 /nfs/dbraw/zinc/13/94/60/584139460.db2.gz VMGQBZKSYAOOLJ-QWRGUYRKSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898485105 584139521 /nfs/dbraw/zinc/13/95/21/584139521.db2.gz ZVKKGIGYNKMZIE-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898485105 584139523 /nfs/dbraw/zinc/13/95/23/584139523.db2.gz ZVKKGIGYNKMZIE-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cnc[nH]1 ZINC000898490912 584139729 /nfs/dbraw/zinc/13/97/29/584139729.db2.gz JUPXKMGRCOSSSG-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cnc[nH]1 ZINC000898490912 584139731 /nfs/dbraw/zinc/13/97/31/584139731.db2.gz JUPXKMGRCOSSSG-VIFPVBQESA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CCOC1 ZINC000898491347 584140373 /nfs/dbraw/zinc/14/03/73/584140373.db2.gz LYAMBPQWLSBMEW-WDEREUQCSA-N 1 2 244.310 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CCOC1 ZINC000898491347 584140374 /nfs/dbraw/zinc/14/03/74/584140374.db2.gz LYAMBPQWLSBMEW-WDEREUQCSA-N 1 2 244.310 0.573 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cncnc1 ZINC000898541833 584141524 /nfs/dbraw/zinc/14/15/24/584141524.db2.gz PXEYIKBMSXWRBN-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cncnc1 ZINC000898541833 584141526 /nfs/dbraw/zinc/14/15/26/584141526.db2.gz PXEYIKBMSXWRBN-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@]23C[C@H]2COC3)c1 ZINC000898616026 584145575 /nfs/dbraw/zinc/14/55/75/584145575.db2.gz UXBWALUXSWVZRQ-KWQFWETISA-N 1 2 236.275 0.008 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615402 584147052 /nfs/dbraw/zinc/14/70/52/584147052.db2.gz HANCYFSVAOSPBR-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@@H](O)C2)c1 ZINC000898615077 584147196 /nfs/dbraw/zinc/14/71/96/584147196.db2.gz AKIPQYPMHDFNRG-SNVBAGLBSA-N 1 2 238.291 0.086 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NC2(CO)CCC2)c1 ZINC000898620564 584147798 /nfs/dbraw/zinc/14/77/98/584147798.db2.gz OOVCGQDGFQUGNC-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO C[C@H]1COCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620133 584147803 /nfs/dbraw/zinc/14/78/03/584147803.db2.gz UBAIRGRGHBSPFS-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO CN(CCF)C(=O)NCc1cn(C)c[nH+]1 ZINC000898619566 584147848 /nfs/dbraw/zinc/14/78/48/584147848.db2.gz LWFRURONJJSHJC-UHFFFAOYSA-N 1 2 214.244 0.531 20 0 BCADLO C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CCO1 ZINC000898619208 584147944 /nfs/dbraw/zinc/14/79/44/584147944.db2.gz HFEXTPFDXFQOSG-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619987 584147982 /nfs/dbraw/zinc/14/79/82/584147982.db2.gz FCUISMKPQGKLRB-PSASIEDQSA-N 1 2 238.291 0.085 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCF)c1 ZINC000898622512 584148073 /nfs/dbraw/zinc/14/80/73/584148073.db2.gz UOYQZCHVLXBXOR-UHFFFAOYSA-N 1 2 200.217 0.189 20 0 BCADLO C[C@@H]1CN(c2nccnc2F)CC[N@@H+]1CCO ZINC000858492360 588960763 /nfs/dbraw/zinc/96/07/63/588960763.db2.gz WHRPOGHPLAXDBE-SECBINFHSA-N 1 2 240.282 0.119 20 0 BCADLO C[C@@H]1CN(c2nccnc2F)CC[N@H+]1CCO ZINC000858492360 588960764 /nfs/dbraw/zinc/96/07/64/588960764.db2.gz WHRPOGHPLAXDBE-SECBINFHSA-N 1 2 240.282 0.119 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000898745001 584156487 /nfs/dbraw/zinc/15/64/87/584156487.db2.gz KFCFCBFCDBMFMT-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000898744920 584156575 /nfs/dbraw/zinc/15/65/75/584156575.db2.gz IUCKWACGMHTLQB-ZETCQYMHSA-N 1 2 246.274 0.580 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000898744920 584156576 /nfs/dbraw/zinc/15/65/76/584156576.db2.gz IUCKWACGMHTLQB-ZETCQYMHSA-N 1 2 246.274 0.580 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810154 584160045 /nfs/dbraw/zinc/16/00/45/584160045.db2.gz JIMVYCRIPDRKQI-IQJOONFLSA-N 1 2 235.287 0.869 20 0 BCADLO Cc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)o1 ZINC000898877632 584161632 /nfs/dbraw/zinc/16/16/32/584161632.db2.gz BWJLPJMTGBIIRF-SECBINFHSA-N 1 2 249.270 0.785 20 0 BCADLO C/C(=C\C(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898883866 584163917 /nfs/dbraw/zinc/16/39/17/584163917.db2.gz MOSXCJWXIZKIIA-FZPLPXEFSA-N 1 2 249.314 0.926 20 0 BCADLO C/C(=C/C(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898883894 584163967 /nfs/dbraw/zinc/16/39/67/584163967.db2.gz MOSXCJWXIZKIIA-YOOZJCNJSA-N 1 2 249.314 0.926 20 0 BCADLO CC(C)[C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884946 584164351 /nfs/dbraw/zinc/16/43/51/584164351.db2.gz VROXRAIVIUJXQC-ZJUUUORDSA-N 1 2 239.319 0.862 20 0 BCADLO CCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882416 584164524 /nfs/dbraw/zinc/16/45/24/584164524.db2.gz WGALJUAGIOJHHS-MRVPVSSYSA-N 1 2 211.265 0.370 20 0 BCADLO Cc1cocc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898895544 584165273 /nfs/dbraw/zinc/16/52/73/584165273.db2.gz JOYNXVIUWCOKOT-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO CCn1cc(C[N@H+](CC)CCOCCO)nn1 ZINC000898901791 584165367 /nfs/dbraw/zinc/16/53/67/584165367.db2.gz FOGPWRTWYXOUGM-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCn1cc(C[N@@H+](CC)CCOCCO)nn1 ZINC000898901791 584165369 /nfs/dbraw/zinc/16/53/69/584165369.db2.gz FOGPWRTWYXOUGM-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](O)C2)c[nH+]1 ZINC000898988773 584168824 /nfs/dbraw/zinc/16/88/24/584168824.db2.gz MVVWKPQROTWDPI-MGCOHNPYSA-N 1 2 237.303 0.566 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000899221929 584183902 /nfs/dbraw/zinc/18/39/02/584183902.db2.gz ZXGGXQRWJQVPON-GMTAPVOTSA-N 1 2 244.310 0.571 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000899221929 584183904 /nfs/dbraw/zinc/18/39/04/584183904.db2.gz ZXGGXQRWJQVPON-GMTAPVOTSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000899744486 584237012 /nfs/dbraw/zinc/23/70/12/584237012.db2.gz XSHBHXIFLUIDNE-MWLCHTKSSA-N 1 2 237.303 0.334 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C3CC3)CCC2)C1 ZINC000899823812 584240774 /nfs/dbraw/zinc/24/07/74/584240774.db2.gz LEXYVRQHLYRNGO-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C3CC3)CCC2)C1 ZINC000899823812 584240776 /nfs/dbraw/zinc/24/07/76/584240776.db2.gz LEXYVRQHLYRNGO-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO COCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899904804 584251148 /nfs/dbraw/zinc/25/11/48/584251148.db2.gz OMVCCTNOORHXDS-PKNBQFBNSA-N 1 2 242.319 0.028 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1CCCO1 ZINC000899909712 584252274 /nfs/dbraw/zinc/25/22/74/584252274.db2.gz URJCDULUAKQGLP-JTQLQIEISA-N 1 2 235.287 0.789 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccccn1 ZINC000899930594 584256233 /nfs/dbraw/zinc/25/62/33/584256233.db2.gz FVTDLCMDXHJWOE-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCc1ccccn1 ZINC000899930594 584256235 /nfs/dbraw/zinc/25/62/35/584256235.db2.gz FVTDLCMDXHJWOE-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nccs1 ZINC000900022440 584267549 /nfs/dbraw/zinc/26/75/49/584267549.db2.gz YSKGSYDRXMQHDH-GMSGAONNSA-N 1 2 241.316 0.537 20 0 BCADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nccs1 ZINC000900022440 584267551 /nfs/dbraw/zinc/26/75/51/584267551.db2.gz YSKGSYDRXMQHDH-GMSGAONNSA-N 1 2 241.316 0.537 20 0 BCADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(F)(F)F ZINC000900100908 584271002 /nfs/dbraw/zinc/27/10/02/584271002.db2.gz MPSAPRBCIYWMQL-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(F)(F)F ZINC000900100908 584271005 /nfs/dbraw/zinc/27/10/05/584271005.db2.gz MPSAPRBCIYWMQL-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC[C@@H](C)O ZINC000900147742 584279518 /nfs/dbraw/zinc/27/95/18/584279518.db2.gz UXQWTECGOIDLME-MRVPVSSYSA-N 1 2 223.276 0.542 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158526 584280272 /nfs/dbraw/zinc/28/02/72/584280272.db2.gz UYAKJZPRMKKDQV-HMDXOVGESA-N 1 2 248.286 0.807 20 0 BCADLO C[C@H](CNC(=O)c1[nH]ncc1F)[NH+](C)C ZINC000900163396 584281301 /nfs/dbraw/zinc/28/13/01/584281301.db2.gz OSPYOWYXRJXGBW-ZCFIWIBFSA-N 1 2 214.244 0.229 20 0 BCADLO C[C@H]1C(=O)N(Cc2cn(C)c[nH+]2)C(=O)N1C1CC1 ZINC000900157878 584280606 /nfs/dbraw/zinc/28/06/06/584280606.db2.gz NPYQVADQIUQICK-QMMMGPOBSA-N 1 2 248.286 0.735 20 0 BCADLO CCCN1CC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900156909 584283261 /nfs/dbraw/zinc/28/32/61/584283261.db2.gz FKNJZJJWCXCIGJ-UHFFFAOYSA-N 1 2 236.275 0.594 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000900186469 584284225 /nfs/dbraw/zinc/28/42/25/584284225.db2.gz UJBXPUCWKIGYGK-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000900193830 584284997 /nfs/dbraw/zinc/28/49/97/584284997.db2.gz SCSGRKDJSSRXME-DOGVGXBMSA-N 1 2 237.303 0.717 20 0 BCADLO CCn1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1=O ZINC000900259104 584290007 /nfs/dbraw/zinc/29/00/07/584290007.db2.gz BZLCNHUKMZFBJX-UHFFFAOYSA-N 1 2 246.270 0.773 20 0 BCADLO CCn1cc(NC(=O)Cc2c[nH+]c[nH]2)ccc1=O ZINC000900259104 584290008 /nfs/dbraw/zinc/29/00/08/584290008.db2.gz BZLCNHUKMZFBJX-UHFFFAOYSA-N 1 2 246.270 0.773 20 0 BCADLO COCCN(C)C(=O)CNc1cccc[nH+]1 ZINC000900298876 584292635 /nfs/dbraw/zinc/29/26/35/584292635.db2.gz FUSJLTVBQLPVFC-UHFFFAOYSA-N 1 2 223.276 0.598 20 0 BCADLO CN(C[C@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900321070 584294792 /nfs/dbraw/zinc/29/47/92/584294792.db2.gz OIBPQWGANDYQSZ-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900323728 584294841 /nfs/dbraw/zinc/29/48/41/584294841.db2.gz ZDKLJWGVNMTCOM-JGVFFNPUSA-N 1 2 248.286 0.208 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)O1 ZINC000900388102 584305654 /nfs/dbraw/zinc/30/56/54/584305654.db2.gz JYHSWDXQVMEKIO-SECBINFHSA-N 1 2 237.303 0.978 20 0 BCADLO COC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900388364 584305862 /nfs/dbraw/zinc/30/58/62/584305862.db2.gz NDNSJSWWEVGUNL-MRVPVSSYSA-N 1 2 211.265 0.351 20 0 BCADLO COC[C@H](C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900388364 584305863 /nfs/dbraw/zinc/30/58/63/584305863.db2.gz NDNSJSWWEVGUNL-MRVPVSSYSA-N 1 2 211.265 0.351 20 0 BCADLO C/C=C\[C@@H](O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449513 584311849 /nfs/dbraw/zinc/31/18/49/584311849.db2.gz SUBXIAZXWMPXQQ-ZZKXABKFSA-N 1 2 249.314 0.984 20 0 BCADLO C/C(=C\C(=O)N[C@@H]1C[C@H]1C)C[NH+]1CCOCC1 ZINC000900539094 584323789 /nfs/dbraw/zinc/32/37/89/584323789.db2.gz BFGODQYRBSEBHE-SXSOHVCJSA-N 1 2 238.331 0.790 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900563072 584325372 /nfs/dbraw/zinc/32/53/72/584325372.db2.gz ONYQCHHWYVZBMN-PORFMDCZSA-N 1 2 237.303 0.754 20 0 BCADLO CN(C[C@@H]1CCCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900624182 584333094 /nfs/dbraw/zinc/33/30/94/584333094.db2.gz NMQUBIZSCJLWJU-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]cc[nH+]2)n1C ZINC000900664147 584337640 /nfs/dbraw/zinc/33/76/40/584337640.db2.gz ATIAJHXPZXFHLE-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000900695098 584338777 /nfs/dbraw/zinc/33/87/77/584338777.db2.gz LFDCPAVPTHGGGT-XGQHYKRYSA-N 1 2 237.303 0.717 20 0 BCADLO CCOC(=O)CN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900694530 584339057 /nfs/dbraw/zinc/33/90/57/584339057.db2.gz KFSMRAGFOLVTQT-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO Cc1cc(NC(=O)c2cn(C)c(=O)n2C)cc[nH+]1 ZINC000900674046 584340107 /nfs/dbraw/zinc/34/01/07/584340107.db2.gz WPFTZJCCADHRJG-UHFFFAOYSA-N 1 2 246.270 0.101 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716616 584344640 /nfs/dbraw/zinc/34/46/40/584344640.db2.gz HWTZJTYSEPXINY-RXNFCKPNSA-N 1 2 249.314 0.984 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000900733979 584346974 /nfs/dbraw/zinc/34/69/74/584346974.db2.gz PONRRFLRPSCVAF-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000900733979 584346975 /nfs/dbraw/zinc/34/69/75/584346975.db2.gz PONRRFLRPSCVAF-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO C=CC(=O)N(CC)CC(=O)NCc1c[nH]c[nH+]1 ZINC000900781398 584350096 /nfs/dbraw/zinc/35/00/96/584350096.db2.gz QMTHINHBONNCNI-UHFFFAOYSA-N 1 2 236.275 0.060 20 0 BCADLO C=CC(=O)N(CC)CC(=O)NCc1c[nH+]c[nH]1 ZINC000900781398 584350095 /nfs/dbraw/zinc/35/00/95/584350095.db2.gz QMTHINHBONNCNI-UHFFFAOYSA-N 1 2 236.275 0.060 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781971 584350577 /nfs/dbraw/zinc/35/05/77/584350577.db2.gz SGXUBFFGKMWOBR-YEZKRMTDSA-N 1 2 223.276 0.743 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781971 584350578 /nfs/dbraw/zinc/35/05/78/584350578.db2.gz SGXUBFFGKMWOBR-YEZKRMTDSA-N 1 2 223.276 0.743 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900779844 584350582 /nfs/dbraw/zinc/35/05/82/584350582.db2.gz GAPBMOJTCONOAQ-IONNQARKSA-N 1 2 211.265 0.433 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900779844 584350583 /nfs/dbraw/zinc/35/05/83/584350583.db2.gz GAPBMOJTCONOAQ-IONNQARKSA-N 1 2 211.265 0.433 20 0 BCADLO C[C@H](CNC(=O)COC1CC1)Cn1cc[nH+]c1 ZINC000900785607 584351715 /nfs/dbraw/zinc/35/17/15/584351715.db2.gz CZJXRULOHIQSDC-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO COC[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900790931 584351894 /nfs/dbraw/zinc/35/18/94/584351894.db2.gz XBGNEGZMPJFVTL-LLVKDONJSA-N 1 2 249.314 0.988 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900813429 584353987 /nfs/dbraw/zinc/35/39/87/584353987.db2.gz YZJVNKHTUNKJSO-QEFZOKHDSA-N 1 2 239.363 0.703 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900813429 584353990 /nfs/dbraw/zinc/35/39/90/584353990.db2.gz YZJVNKHTUNKJSO-QEFZOKHDSA-N 1 2 239.363 0.703 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]2CCO[C@H]21 ZINC000900817377 584354150 /nfs/dbraw/zinc/35/41/50/584354150.db2.gz MZOMVURVXYOPAM-MVWJERBFSA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H]2CCO[C@H]21 ZINC000900817377 584354151 /nfs/dbraw/zinc/35/41/51/584354151.db2.gz MZOMVURVXYOPAM-MVWJERBFSA-N 1 2 249.314 0.882 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCn1cccc1 ZINC000900880757 584360071 /nfs/dbraw/zinc/36/00/71/584360071.db2.gz VRFKTLMTQCNEMY-UHFFFAOYSA-N 1 2 218.260 0.570 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCn1cccc1 ZINC000900880757 584360072 /nfs/dbraw/zinc/36/00/72/584360072.db2.gz VRFKTLMTQCNEMY-UHFFFAOYSA-N 1 2 218.260 0.570 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000900867289 584363211 /nfs/dbraw/zinc/36/32/11/584363211.db2.gz LUAHOCJTBSEEOV-SCZZXKLOSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CCC[C@@H]1O ZINC000900867289 584363213 /nfs/dbraw/zinc/36/32/13/584363213.db2.gz LUAHOCJTBSEEOV-SCZZXKLOSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CCF)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000900867274 584363244 /nfs/dbraw/zinc/36/32/44/584363244.db2.gz SBCXNCJFVIOCED-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCSC1 ZINC000900870016 584363815 /nfs/dbraw/zinc/36/38/15/584363815.db2.gz ZXCGLHWSNIOWEA-ZETCQYMHSA-N 1 2 211.290 0.574 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCSC1 ZINC000900870016 584363816 /nfs/dbraw/zinc/36/38/16/584363816.db2.gz ZXCGLHWSNIOWEA-ZETCQYMHSA-N 1 2 211.290 0.574 20 0 BCADLO C[C@](O)(CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900901936 584364208 /nfs/dbraw/zinc/36/42/08/584364208.db2.gz UCBMGBALZONJCT-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO C[C@](O)(CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900901936 584364210 /nfs/dbraw/zinc/36/42/10/584364210.db2.gz UCBMGBALZONJCT-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO C[C@H](O)CC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900899637 584364631 /nfs/dbraw/zinc/36/46/31/584364631.db2.gz HHTIDVPKGMHLKT-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H](O)CC(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900899637 584364633 /nfs/dbraw/zinc/36/46/33/584364633.db2.gz HHTIDVPKGMHLKT-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO CN(CC(C)(C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC000900912915 584365447 /nfs/dbraw/zinc/36/54/47/584365447.db2.gz JZDMZUQIFPDTGY-UHFFFAOYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900952881 584366641 /nfs/dbraw/zinc/36/66/41/584366641.db2.gz UPFLQZJBJATXAI-GFCCVEGCSA-N 1 2 235.287 0.477 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996505 584375197 /nfs/dbraw/zinc/37/51/97/584375197.db2.gz DKQWJLAZCIGCDB-VIFPVBQESA-N 1 2 225.292 0.661 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC[C@@H](O)C1CC1 ZINC000901046220 584376804 /nfs/dbraw/zinc/37/68/04/584376804.db2.gz UQKKGVPBGDDLQT-LLVKDONJSA-N 1 2 249.314 0.932 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901021824 584377417 /nfs/dbraw/zinc/37/74/17/584377417.db2.gz DXBAHUSECABETA-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901021824 584377418 /nfs/dbraw/zinc/37/74/18/584377418.db2.gz DXBAHUSECABETA-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CCC(CC)[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901071517 584378157 /nfs/dbraw/zinc/37/81/57/584378157.db2.gz HFYVJLJIAAVDRL-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO CCC(CC)[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901071517 584378158 /nfs/dbraw/zinc/37/81/58/584378158.db2.gz HFYVJLJIAAVDRL-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000858853106 588979053 /nfs/dbraw/zinc/97/90/53/588979053.db2.gz WTGURARCJIOCTI-RKDXNWHRSA-N 1 2 234.255 0.699 20 0 BCADLO C[C@@H](CCO)NC(=O)CNc1cccc[nH+]1 ZINC000901082869 584382480 /nfs/dbraw/zinc/38/24/80/584382480.db2.gz BERAVGQNYGKHKU-VIFPVBQESA-N 1 2 223.276 0.381 20 0 BCADLO CC(C)(CO)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901083307 584382612 /nfs/dbraw/zinc/38/26/12/584382612.db2.gz RGTCBEGLOWVDEM-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)(CO)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901083307 584382614 /nfs/dbraw/zinc/38/26/14/584382614.db2.gz RGTCBEGLOWVDEM-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N[C@H](C)CCO ZINC000901084146 584383122 /nfs/dbraw/zinc/38/31/22/584383122.db2.gz ZOUZNUNKYPWRRI-SECBINFHSA-N 1 2 237.303 0.932 20 0 BCADLO CS[C@H](CO)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901094288 584384257 /nfs/dbraw/zinc/38/42/57/584384257.db2.gz CKEPZVOWHZHZJJ-VXNVDRBHSA-N 1 2 243.332 0.181 20 0 BCADLO CS[C@H](CO)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901094288 584384259 /nfs/dbraw/zinc/38/42/59/584384259.db2.gz CKEPZVOWHZHZJJ-VXNVDRBHSA-N 1 2 243.332 0.181 20 0 BCADLO C[C@@](CO)(NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000901098894 584385274 /nfs/dbraw/zinc/38/52/74/584385274.db2.gz IRHMAZVFTQTKTH-ZDUSSCGKSA-N 1 2 249.314 0.771 20 0 BCADLO C[C@](CO)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000901097427 584385416 /nfs/dbraw/zinc/38/54/16/584385416.db2.gz COQKMXYMAGEXOA-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@](CO)(NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901097427 584385418 /nfs/dbraw/zinc/38/54/18/584385418.db2.gz COQKMXYMAGEXOA-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO C/C=C\[C@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901119895 584386779 /nfs/dbraw/zinc/38/67/79/584386779.db2.gz VTZIXGPUIOPNPH-MZBZXASESA-N 1 2 237.303 0.669 20 0 BCADLO C[C@@H]1OCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000901102476 584387910 /nfs/dbraw/zinc/38/79/10/584387910.db2.gz RQUHEYFOTNFIES-IUCAKERBSA-N 1 2 223.276 0.588 20 0 BCADLO CCc1ncc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000901161264 584394295 /nfs/dbraw/zinc/39/42/95/584394295.db2.gz OJVVUDWJDLYZKH-UHFFFAOYSA-N 1 2 231.259 0.943 20 0 BCADLO CCc1ncc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000901161264 584394297 /nfs/dbraw/zinc/39/42/97/584394297.db2.gz OJVVUDWJDLYZKH-UHFFFAOYSA-N 1 2 231.259 0.943 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000901172279 584395603 /nfs/dbraw/zinc/39/56/03/584395603.db2.gz BIYXIMQGGGXVGC-SECBINFHSA-N 1 2 235.287 0.977 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000901174600 584395823 /nfs/dbraw/zinc/39/58/23/584395823.db2.gz BSIZJPIIQBHGSP-GHMZBOCLSA-N 1 2 249.314 0.837 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000901239496 584406460 /nfs/dbraw/zinc/40/64/60/584406460.db2.gz DQJQCQUBIQYQLG-WCBMZHEXSA-N 1 2 223.276 0.182 20 0 BCADLO Cc1cncc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000901247247 584408575 /nfs/dbraw/zinc/40/85/75/584408575.db2.gz UYVSGVXNAZCEFP-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1cncc(CNC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000901247247 584408576 /nfs/dbraw/zinc/40/85/76/584408576.db2.gz UYVSGVXNAZCEFP-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC[C@](C)(CO)NC(=O)CNc1cccc[nH+]1 ZINC000901223439 584411271 /nfs/dbraw/zinc/41/12/71/584411271.db2.gz CFFQBPOSCOVCHJ-GFCCVEGCSA-N 1 2 237.303 0.771 20 0 BCADLO C[C@]1(O)CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901277826 584413486 /nfs/dbraw/zinc/41/34/86/584413486.db2.gz YXHNETGQQVWPPB-ZDUSSCGKSA-N 1 2 249.314 0.867 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901280225 584414796 /nfs/dbraw/zinc/41/47/96/584414796.db2.gz WXOZDJPCFWROGP-SECBINFHSA-N 1 2 211.265 0.085 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901280225 584414797 /nfs/dbraw/zinc/41/47/97/584414797.db2.gz WXOZDJPCFWROGP-SECBINFHSA-N 1 2 211.265 0.085 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H](CO)CC1CC1 ZINC000901293445 584423074 /nfs/dbraw/zinc/42/30/74/584423074.db2.gz GGTUGJWIFWLWGU-NSHDSACASA-N 1 2 249.314 0.771 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cc(C2CC2)no1 ZINC000901396524 584438356 /nfs/dbraw/zinc/43/83/56/584438356.db2.gz NKPXRANYEMWCPZ-QMMMGPOBSA-N 1 2 210.233 0.595 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)OCCF ZINC000858935475 588986544 /nfs/dbraw/zinc/98/65/44/588986544.db2.gz LCXLJDLQEKGEJE-UHFFFAOYSA-N 1 2 234.271 0.357 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)CN1CCOC1=O ZINC000902065852 584522587 /nfs/dbraw/zinc/52/25/87/584522587.db2.gz MKFCBROUUQIRIX-JTQLQIEISA-N 1 2 228.292 0.897 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)CN1CCOC1=O ZINC000902065852 584522588 /nfs/dbraw/zinc/52/25/88/584522588.db2.gz MKFCBROUUQIRIX-JTQLQIEISA-N 1 2 228.292 0.897 20 0 BCADLO Cn1cnnc1NCc1[nH+]ccn1C1CC1 ZINC000902065121 584522655 /nfs/dbraw/zinc/52/26/55/584522655.db2.gz NCQHQGZHWRLYSW-UHFFFAOYSA-N 1 2 218.264 0.959 20 0 BCADLO CCn1[nH]c(C)nc1=NCc1[nH]c(C)c(C)[nH+]1 ZINC000902113599 584526750 /nfs/dbraw/zinc/52/67/50/584526750.db2.gz GCPUQGCDPNEVLC-UHFFFAOYSA-N 1 2 234.307 0.980 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)CCS1 ZINC000902114616 584527589 /nfs/dbraw/zinc/52/75/89/584527589.db2.gz PTRDBGYUWTXVKS-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)CCS1 ZINC000902114616 584527590 /nfs/dbraw/zinc/52/75/90/584527590.db2.gz PTRDBGYUWTXVKS-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO NC(=[NH+]OC[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000902123746 584529098 /nfs/dbraw/zinc/52/90/98/584529098.db2.gz MWHLDMLFYQZUQT-VIFPVBQESA-N 1 2 233.271 0.669 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902186600 584533885 /nfs/dbraw/zinc/53/38/85/584533885.db2.gz UMAPJBGEAVBPOC-RCWTZXSCSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902186600 584533887 /nfs/dbraw/zinc/53/38/87/584533887.db2.gz UMAPJBGEAVBPOC-RCWTZXSCSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@H]1[N@H+](CN2CCOC2=O)CCOC1(C)C ZINC000902186488 584533912 /nfs/dbraw/zinc/53/39/12/584533912.db2.gz UXJMOXJMUBZNRM-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO C[C@H]1[N@@H+](CN2CCOC2=O)CCOC1(C)C ZINC000902186488 584533913 /nfs/dbraw/zinc/53/39/13/584533913.db2.gz UXJMOXJMUBZNRM-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902170768 584534507 /nfs/dbraw/zinc/53/45/07/584534507.db2.gz MSMRQJILHOHANE-CHWFTXMASA-N 1 2 222.288 0.285 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902170768 584534508 /nfs/dbraw/zinc/53/45/08/584534508.db2.gz MSMRQJILHOHANE-CHWFTXMASA-N 1 2 222.288 0.285 20 0 BCADLO CCC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902202382 584538153 /nfs/dbraw/zinc/53/81/53/584538153.db2.gz VEXOEHYOXYUHHB-TUAOUCFPSA-N 1 2 238.331 0.923 20 0 BCADLO CCC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902202382 584538155 /nfs/dbraw/zinc/53/81/55/584538155.db2.gz VEXOEHYOXYUHHB-TUAOUCFPSA-N 1 2 238.331 0.923 20 0 BCADLO CON1CC[C@H](O[NH+]=C(N)COC(C)C)C1=O ZINC000902220820 584540627 /nfs/dbraw/zinc/54/06/27/584540627.db2.gz LLHIZHNWXZAWAG-QMMMGPOBSA-N 1 2 245.279 0.072 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)[C@@H](C)[C@@H](C)O1 ZINC000902236493 584543128 /nfs/dbraw/zinc/54/31/28/584543128.db2.gz ZBJYFZGEXXJKRO-KXUCPTDWSA-N 1 2 228.292 0.894 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)[C@@H](C)[C@@H](C)O1 ZINC000902236493 584543129 /nfs/dbraw/zinc/54/31/29/584543129.db2.gz ZBJYFZGEXXJKRO-KXUCPTDWSA-N 1 2 228.292 0.894 20 0 BCADLO COCC[C@@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000902277241 584551006 /nfs/dbraw/zinc/55/10/06/584551006.db2.gz JGWPUGXNNCYICY-QWRGUYRKSA-N 1 2 244.310 0.873 20 0 BCADLO COCC[C@@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000902277241 584551007 /nfs/dbraw/zinc/55/10/07/584551007.db2.gz JGWPUGXNNCYICY-QWRGUYRKSA-N 1 2 244.310 0.873 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000902306471 584554217 /nfs/dbraw/zinc/55/42/17/584554217.db2.gz NUHQUDUEWOAASJ-XSPKLOCKSA-N 1 2 228.242 0.619 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000902306471 584554220 /nfs/dbraw/zinc/55/42/20/584554220.db2.gz NUHQUDUEWOAASJ-XSPKLOCKSA-N 1 2 228.242 0.619 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1CNC(=O)C1 ZINC000902341877 584557838 /nfs/dbraw/zinc/55/78/38/584557838.db2.gz RRTVHPCKZWVIKC-MRVPVSSYSA-N 1 2 243.307 0.436 20 0 BCADLO CN(C)c1ccc(Cn2cc(CCO)cn2)c[nH+]1 ZINC000902331145 584562440 /nfs/dbraw/zinc/56/24/40/584562440.db2.gz XLTKFOXYQABRPQ-UHFFFAOYSA-N 1 2 246.314 0.927 20 0 BCADLO CN(C)c1ccc(Cn2ncccc2=O)c[nH+]1 ZINC000902356031 584569595 /nfs/dbraw/zinc/56/95/95/584569595.db2.gz OUKSVDXWRLIMOK-UHFFFAOYSA-N 1 2 230.271 0.753 20 0 BCADLO CC(=O)C1CC[NH+](CN2CCOC2=O)CC1 ZINC000902361208 584571991 /nfs/dbraw/zinc/57/19/91/584571991.db2.gz OSTTVEZKZXIQAJ-UHFFFAOYSA-N 1 2 226.276 0.697 20 0 BCADLO CN(C)c1ccc(COn2cccn2)c[nH+]1 ZINC000902421482 584592143 /nfs/dbraw/zinc/59/21/43/584592143.db2.gz XAGCXBJNMCNAIY-UHFFFAOYSA-N 1 2 218.260 0.973 20 0 BCADLO CC(C)N(Cc1ccc(N)[nH+]c1)S(C)(=O)=O ZINC000902433518 584595868 /nfs/dbraw/zinc/59/58/68/584595868.db2.gz RXDMEXPOSWGOJV-UHFFFAOYSA-N 1 2 243.332 0.834 20 0 BCADLO c1nncn1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536655 584628013 /nfs/dbraw/zinc/62/80/13/584628013.db2.gz KGNHOSTYJSIIDO-NSHDSACASA-N 1 2 222.292 0.737 20 0 BCADLO c1nncn1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536655 584628016 /nfs/dbraw/zinc/62/80/16/584628016.db2.gz KGNHOSTYJSIIDO-NSHDSACASA-N 1 2 222.292 0.737 20 0 BCADLO CC1(C)CNC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000902518900 584631051 /nfs/dbraw/zinc/63/10/51/584631051.db2.gz QJDLRAPVHAHVBD-UHFFFAOYSA-N 1 2 248.286 0.742 20 0 BCADLO CCc1nnc(CNCc2cn(CC)c[nH+]2)[nH]1 ZINC000902577075 584637283 /nfs/dbraw/zinc/63/72/83/584637283.db2.gz YZUJXSDDEUXJOW-UHFFFAOYSA-N 1 2 234.307 0.873 20 0 BCADLO CCn1cnc(C[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000902599501 584640869 /nfs/dbraw/zinc/64/08/69/584640869.db2.gz CCMHUWSOWDBSSV-SNVBAGLBSA-N 1 2 238.335 0.906 20 0 BCADLO CCc1noc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000902610411 584642928 /nfs/dbraw/zinc/64/29/28/584642928.db2.gz AOQOFZHPUBWCFH-UHFFFAOYSA-N 1 2 249.274 0.649 20 0 BCADLO O=C1CCN1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000902624592 584645711 /nfs/dbraw/zinc/64/57/11/584645711.db2.gz MWFKAVWYGSMWDX-SECBINFHSA-N 1 2 226.276 0.014 20 0 BCADLO O=C1CCN1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000902624592 584645713 /nfs/dbraw/zinc/64/57/13/584645713.db2.gz MWFKAVWYGSMWDX-SECBINFHSA-N 1 2 226.276 0.014 20 0 BCADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631264 584646712 /nfs/dbraw/zinc/64/67/12/584646712.db2.gz GLVUDJBWUJGJSZ-WDEREUQCSA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631264 584646713 /nfs/dbraw/zinc/64/67/13/584646713.db2.gz GLVUDJBWUJGJSZ-WDEREUQCSA-N 1 2 226.320 0.659 20 0 BCADLO OC[C@H]1CC[N@@H+]1CN1CCSC1=S ZINC000902630854 584646798 /nfs/dbraw/zinc/64/67/98/584646798.db2.gz RBOPRVNMCMUQCN-SSDOTTSWSA-N 1 2 218.347 0.344 20 0 BCADLO OC[C@H]1CC[N@H+]1CN1CCSC1=S ZINC000902630854 584646801 /nfs/dbraw/zinc/64/68/01/584646801.db2.gz RBOPRVNMCMUQCN-SSDOTTSWSA-N 1 2 218.347 0.344 20 0 BCADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@H]1CO ZINC000902631130 584646967 /nfs/dbraw/zinc/64/69/67/584646967.db2.gz GDXRODSOUVVWIV-QJPTWQEYSA-N 1 2 238.331 0.802 20 0 BCADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@H]1CO ZINC000902631130 584646968 /nfs/dbraw/zinc/64/69/68/584646968.db2.gz GDXRODSOUVVWIV-QJPTWQEYSA-N 1 2 238.331 0.802 20 0 BCADLO Cc1cnc(=S)n(C[N@@H+]2CC[C@H]2CO)c1 ZINC000902633943 584647921 /nfs/dbraw/zinc/64/79/21/584647921.db2.gz YIIHSIXQYBOXAE-VIFPVBQESA-N 1 2 225.317 0.945 20 0 BCADLO Cc1cnc(=S)n(C[N@H+]2CC[C@H]2CO)c1 ZINC000902633943 584647922 /nfs/dbraw/zinc/64/79/22/584647922.db2.gz YIIHSIXQYBOXAE-VIFPVBQESA-N 1 2 225.317 0.945 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@H+]1CC[C@H]1CO ZINC000902634472 584648251 /nfs/dbraw/zinc/64/82/51/584648251.db2.gz KGAWMHBTEZOVHH-GARJFASQSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@H]1CO ZINC000902634472 584648252 /nfs/dbraw/zinc/64/82/52/584648252.db2.gz KGAWMHBTEZOVHH-GARJFASQSA-N 1 2 224.304 0.269 20 0 BCADLO O=c1n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nnn1C1CC1 ZINC000902654296 584650113 /nfs/dbraw/zinc/65/01/13/584650113.db2.gz KNZQAIUXTLLMAE-AOOOYVTPSA-N 1 2 249.318 0.464 20 0 BCADLO O=c1n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nnn1C1CC1 ZINC000902654296 584650116 /nfs/dbraw/zinc/65/01/16/584650116.db2.gz KNZQAIUXTLLMAE-AOOOYVTPSA-N 1 2 249.318 0.464 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1c[nH+]cn1C ZINC000902665992 584653706 /nfs/dbraw/zinc/65/37/06/584653706.db2.gz JIDUUFXIHOKNEX-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO CCc1noc(C(=O)N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000902683595 584656018 /nfs/dbraw/zinc/65/60/18/584656018.db2.gz NINSPUXRCPBQAB-SSDOTTSWSA-N 1 2 247.258 0.703 20 0 BCADLO COCC(COC)O[NH+]=C(N)[C@H](C)OC ZINC000902717305 584657809 /nfs/dbraw/zinc/65/78/09/584657809.db2.gz OKGRILPUULKGPE-ZETCQYMHSA-N 1 2 220.269 0.181 20 0 BCADLO NC(=[NH+]OCCO[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000902738159 584662655 /nfs/dbraw/zinc/66/26/55/584662655.db2.gz GXPHAWQKKYLWLM-UWVGGRQHSA-N 1 2 244.291 0.469 20 0 BCADLO Cn1c[nH+]c2cc(OCC3(CO)COC3)ccc21 ZINC000902781279 584670392 /nfs/dbraw/zinc/67/03/92/584670392.db2.gz MESMSLOVOAMQNA-UHFFFAOYSA-N 1 2 248.282 0.961 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)CCO)cn2c1 ZINC000902816832 584678133 /nfs/dbraw/zinc/67/81/33/584678133.db2.gz SEKMAVJJDVMUNH-UHFFFAOYSA-N 1 2 233.271 0.641 20 0 BCADLO O=C(CCO)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000902841596 584680453 /nfs/dbraw/zinc/68/04/53/584680453.db2.gz AVELVSMBVZUBHJ-SECBINFHSA-N 1 2 223.276 0.498 20 0 BCADLO C[C@@H](CNC(=O)OC1COC1)Cn1cc[nH+]c1 ZINC000902842859 584680881 /nfs/dbraw/zinc/68/08/81/584680881.db2.gz SZAWXELZIWPFHK-VIFPVBQESA-N 1 2 239.275 0.644 20 0 BCADLO C[C@@H]1CCS(=O)(=O)N1Cc1c[nH+]cn1C ZINC000902846751 584681357 /nfs/dbraw/zinc/68/13/57/584681357.db2.gz OLKMTBAADLSOHS-MRVPVSSYSA-N 1 2 229.305 0.344 20 0 BCADLO Cc1nsc(C(=O)NC[C@H]2CC[N@H+]2C)n1 ZINC000902934927 584699944 /nfs/dbraw/zinc/69/99/44/584699944.db2.gz SIAGARJHQQCPER-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nsc(C(=O)NC[C@H]2CC[N@@H+]2C)n1 ZINC000902934927 584699945 /nfs/dbraw/zinc/69/99/45/584699945.db2.gz SIAGARJHQQCPER-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC1 ZINC000902938480 584700901 /nfs/dbraw/zinc/70/09/01/584700901.db2.gz CNIBAFNDGIASLJ-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902991664 584709949 /nfs/dbraw/zinc/70/99/49/584709949.db2.gz YCMVDUOVJZXXEF-RKDXNWHRSA-N 1 2 216.256 0.583 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902991664 584709952 /nfs/dbraw/zinc/70/99/52/584709952.db2.gz YCMVDUOVJZXXEF-RKDXNWHRSA-N 1 2 216.256 0.583 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](F)C1 ZINC000902992527 584710942 /nfs/dbraw/zinc/71/09/42/584710942.db2.gz LZLFVCIFHDWGAB-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](F)C1 ZINC000902992527 584710944 /nfs/dbraw/zinc/71/09/44/584710944.db2.gz LZLFVCIFHDWGAB-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902994328 584711738 /nfs/dbraw/zinc/71/17/38/584711738.db2.gz CEISFGRFUWLLQK-QMMMGPOBSA-N 1 2 204.245 0.440 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902994328 584711740 /nfs/dbraw/zinc/71/17/40/584711740.db2.gz CEISFGRFUWLLQK-QMMMGPOBSA-N 1 2 204.245 0.440 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902998248 584714741 /nfs/dbraw/zinc/71/47/41/584714741.db2.gz JCSUSAAGQPVFFL-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902998248 584714743 /nfs/dbraw/zinc/71/47/43/584714743.db2.gz JCSUSAAGQPVFFL-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)NC[C@H]1CCCO1 ZINC000903002661 584715913 /nfs/dbraw/zinc/71/59/13/584715913.db2.gz DTJLQTIDGOWVOK-WDEREUQCSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NC[C@H]1CCCO1 ZINC000903002661 584715914 /nfs/dbraw/zinc/71/59/14/584715914.db2.gz DTJLQTIDGOWVOK-WDEREUQCSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCOCC1 ZINC000903002488 584716265 /nfs/dbraw/zinc/71/62/65/584716265.db2.gz BROYBKSWUZAMDT-SNVBAGLBSA-N 1 2 230.283 0.279 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCOCC1 ZINC000903002488 584716266 /nfs/dbraw/zinc/71/62/66/584716266.db2.gz BROYBKSWUZAMDT-SNVBAGLBSA-N 1 2 230.283 0.279 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NC1CC1 ZINC000903002518 584716429 /nfs/dbraw/zinc/71/64/29/584716429.db2.gz CBAPNPACSILGTF-MRVPVSSYSA-N 1 2 200.257 0.699 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NC1CC1 ZINC000903002518 584716431 /nfs/dbraw/zinc/71/64/31/584716431.db2.gz CBAPNPACSILGTF-MRVPVSSYSA-N 1 2 200.257 0.699 20 0 BCADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003858 584717085 /nfs/dbraw/zinc/71/70/85/584717085.db2.gz SVRNOJPXBXRWSO-VIFPVBQESA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003858 584717086 /nfs/dbraw/zinc/71/70/86/584717086.db2.gz SVRNOJPXBXRWSO-VIFPVBQESA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903022692 584721027 /nfs/dbraw/zinc/72/10/27/584721027.db2.gz KSSAMBCQIFVHQI-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903022692 584721028 /nfs/dbraw/zinc/72/10/28/584721028.db2.gz KSSAMBCQIFVHQI-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027183 584721966 /nfs/dbraw/zinc/72/19/66/584721966.db2.gz OXZAGZJFFIACEW-NXEZZACHSA-N 1 2 248.286 0.278 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027183 584721967 /nfs/dbraw/zinc/72/19/67/584721967.db2.gz OXZAGZJFFIACEW-NXEZZACHSA-N 1 2 248.286 0.278 20 0 BCADLO O=C(CCN1CC=CC[NH2+]1)NC1CCCC1 ZINC000903488687 584780541 /nfs/dbraw/zinc/78/05/41/584780541.db2.gz RSHMWPHPWNDDTG-UHFFFAOYSA-N 1 2 223.320 0.812 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1CN1CC=CC[NH2+]1 ZINC000903785285 584800293 /nfs/dbraw/zinc/80/02/93/584800293.db2.gz XOIPWWSUUHOSIL-VHSXEESVSA-N 1 2 210.277 0.562 20 0 BCADLO CCCCN(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000904201131 584851658 /nfs/dbraw/zinc/85/16/58/584851658.db2.gz JTPJRRRXMJKWLF-JTQLQIEISA-N 1 2 245.323 0.518 20 0 BCADLO CCCCN(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000904201131 584851660 /nfs/dbraw/zinc/85/16/60/584851660.db2.gz JTPJRRRXMJKWLF-JTQLQIEISA-N 1 2 245.323 0.518 20 0 BCADLO Cc1c(C[N@H+](C)Cc2ccc(N)nn2)cnn1C ZINC000904350590 584869091 /nfs/dbraw/zinc/86/90/91/584869091.db2.gz NLUJJJIENAHZDD-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO Cc1c(C[N@@H+](C)Cc2ccc(N)nn2)cnn1C ZINC000904350590 584869092 /nfs/dbraw/zinc/86/90/92/584869092.db2.gz NLUJJJIENAHZDD-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO COC(=O)c1cc(C[NH2+][C@H]2CNOC2)oc1C ZINC000904425801 584881683 /nfs/dbraw/zinc/88/16/83/584881683.db2.gz YQGWQYQZZULOCD-QMMMGPOBSA-N 1 2 240.259 0.368 20 0 BCADLO CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CNOC1 ZINC000904421754 584882500 /nfs/dbraw/zinc/88/25/00/584882500.db2.gz QJEIWFMYSYHSDM-SSDOTTSWSA-N 1 2 244.726 0.629 20 0 BCADLO Cc1ccnn1CC(=O)NCc1[nH+]ccn1C ZINC000859182659 589015426 /nfs/dbraw/zinc/01/54/26/589015426.db2.gz DATKCOHOOHAZLE-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO CC(C)(C)C(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000753684271 584904038 /nfs/dbraw/zinc/90/40/38/584904038.db2.gz AMHUXOPWWNVLPE-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO CC(C)(C)C(=O)CC[N@H+]1CCNC(=O)C1 ZINC000753684271 584904040 /nfs/dbraw/zinc/90/40/40/584904040.db2.gz AMHUXOPWWNVLPE-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCOCN1 ZINC000830228219 584908178 /nfs/dbraw/zinc/90/81/78/584908178.db2.gz FVBOIFFQCHTHIH-UHFFFAOYSA-N 1 2 232.243 0.497 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N(C)C(C)C ZINC000764202073 584926034 /nfs/dbraw/zinc/92/60/34/584926034.db2.gz FHLQIFNMURIURL-JTQLQIEISA-N 1 2 243.351 0.310 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N(C)C(C)C ZINC000764202073 584926035 /nfs/dbraw/zinc/92/60/35/584926035.db2.gz FHLQIFNMURIURL-JTQLQIEISA-N 1 2 243.351 0.310 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C(C)(C)C ZINC000764836893 584930099 /nfs/dbraw/zinc/93/00/99/584930099.db2.gz HKIUXPMLJDRHCL-ZJUUUORDSA-N 1 2 239.319 0.795 20 0 BCADLO C[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)C(N)=O ZINC000731910755 584931375 /nfs/dbraw/zinc/93/13/75/584931375.db2.gz GLQGCLRUNLZFLL-SSDOTTSWSA-N 1 2 233.227 0.365 20 0 BCADLO CCC/C=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732149887 584934115 /nfs/dbraw/zinc/93/41/15/584934115.db2.gz SWYAFQMQORGHJE-DGMVEKRQSA-N 1 2 239.363 0.705 20 0 BCADLO CCC/C=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732149887 584934116 /nfs/dbraw/zinc/93/41/16/584934116.db2.gz SWYAFQMQORGHJE-DGMVEKRQSA-N 1 2 239.363 0.705 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)OC(C)C)c[nH+]1 ZINC000732287213 584936005 /nfs/dbraw/zinc/93/60/05/584936005.db2.gz QOWAQKGLOFCSIQ-UHFFFAOYSA-N 1 2 225.248 0.400 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000837642667 584938371 /nfs/dbraw/zinc/93/83/71/584938371.db2.gz AAZLAYNYQLDKFL-GFCCVEGCSA-N 1 2 240.303 0.913 20 0 BCADLO COc1cccc(C[N@@H+]2CCCNC(=O)C2)n1 ZINC000732982696 584942227 /nfs/dbraw/zinc/94/22/27/584942227.db2.gz UECSUGDVYWGMDV-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cccc(C[N@H+]2CCCNC(=O)C2)n1 ZINC000732982696 584942228 /nfs/dbraw/zinc/94/22/28/584942228.db2.gz UECSUGDVYWGMDV-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)c2cc[nH]c2)CCO1 ZINC000800179179 584943115 /nfs/dbraw/zinc/94/31/15/584943115.db2.gz JEAFCQUDDYXHHS-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)c2cc[nH]c2)CCO1 ZINC000800179179 584943116 /nfs/dbraw/zinc/94/31/16/584943116.db2.gz JEAFCQUDDYXHHS-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCC1OCCO1 ZINC000767545759 584945063 /nfs/dbraw/zinc/94/50/63/584945063.db2.gz DPNRVUOUFHRBGZ-UHFFFAOYSA-N 1 2 232.280 0.673 20 0 BCADLO Cc1nonc1C[N@H+](C)CCN1CCCC1=O ZINC000734149624 584957604 /nfs/dbraw/zinc/95/76/04/584957604.db2.gz PUDFAIRDYKEIJK-UHFFFAOYSA-N 1 2 238.291 0.432 20 0 BCADLO Cc1nonc1C[N@@H+](C)CCN1CCCC1=O ZINC000734149624 584957605 /nfs/dbraw/zinc/95/76/05/584957605.db2.gz PUDFAIRDYKEIJK-UHFFFAOYSA-N 1 2 238.291 0.432 20 0 BCADLO OCC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000735351068 584975729 /nfs/dbraw/zinc/97/57/29/584975729.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000735351068 584975730 /nfs/dbraw/zinc/97/57/30/584975730.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000735351068 584975731 /nfs/dbraw/zinc/97/57/31/584975731.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000735351068 584975732 /nfs/dbraw/zinc/97/57/32/584975732.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000735351068 584975733 /nfs/dbraw/zinc/97/57/33/584975733.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO OCC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000735351068 584975734 /nfs/dbraw/zinc/97/57/34/584975734.db2.gz ALAKACMQAZWWAJ-VIFPVBQESA-N 1 2 210.281 0.399 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CCS(=O)(=O)CC ZINC000735671195 584980686 /nfs/dbraw/zinc/98/06/86/584980686.db2.gz BFPAQOGKCBTTGM-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CCS(=O)(=O)CC ZINC000735671195 584980687 /nfs/dbraw/zinc/98/06/87/584980687.db2.gz BFPAQOGKCBTTGM-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO Cc1cccc(C[N@@H+]2CCCNC(=O)C2)n1 ZINC000736310564 584996895 /nfs/dbraw/zinc/99/68/95/584996895.db2.gz TZCKHIJUVDYEHQ-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1cccc(C[N@H+]2CCCNC(=O)C2)n1 ZINC000736310564 584996896 /nfs/dbraw/zinc/99/68/96/584996896.db2.gz TZCKHIJUVDYEHQ-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO COCC[C@@H](C)O[NH+]=C(N)[C@H](C)OC ZINC000755945161 585004694 /nfs/dbraw/zinc/00/46/94/585004694.db2.gz MNACRQFLCQVLRA-SFYZADRCSA-N 1 2 204.270 0.945 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@](C)(O)C2CC2)c1 ZINC000890109062 585023773 /nfs/dbraw/zinc/02/37/73/585023773.db2.gz AEQUWTTVAVJGKP-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO Cc1cnn(CC(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890113845 585024027 /nfs/dbraw/zinc/02/40/27/585024027.db2.gz AEPOCALKHDLCDR-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114532 585024135 /nfs/dbraw/zinc/02/41/35/585024135.db2.gz OIQYAYQPQMSLOD-JTQLQIEISA-N 1 2 225.292 0.851 20 0 BCADLO CO[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788081426 585027275 /nfs/dbraw/zinc/02/72/75/585027275.db2.gz QCWCMSNZCQYCES-IUCAKERBSA-N 1 2 219.256 0.608 20 0 BCADLO CO[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788081426 585027276 /nfs/dbraw/zinc/02/72/76/585027276.db2.gz QCWCMSNZCQYCES-IUCAKERBSA-N 1 2 219.256 0.608 20 0 BCADLO Cn1cc(C=O)cc1C(=O)OCCn1cc[nH+]c1 ZINC000838090170 585045626 /nfs/dbraw/zinc/04/56/26/585045626.db2.gz XICISAWNSYYEPY-UHFFFAOYSA-N 1 2 247.254 0.891 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H](O)C1CCC1 ZINC000838309710 585052669 /nfs/dbraw/zinc/05/26/69/585052669.db2.gz AZMMRMLLXQEMKX-JTQLQIEISA-N 1 2 224.260 0.587 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H](O)C1CCC1 ZINC000838312044 585052829 /nfs/dbraw/zinc/05/28/29/585052829.db2.gz LMGXNFSLZFPNNJ-LLVKDONJSA-N 1 2 238.287 0.977 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000866988902 585064027 /nfs/dbraw/zinc/06/40/27/585064027.db2.gz ZWMFOTUOEHJSOE-CBAPKCEASA-N 1 2 241.316 0.407 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)C1CC1)C1CC1 ZINC000838865137 585076237 /nfs/dbraw/zinc/07/62/37/585076237.db2.gz FOTZIRUSMNRROV-JTQLQIEISA-N 1 2 213.277 0.395 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)C1CC1)C1CC1 ZINC000838865137 585076238 /nfs/dbraw/zinc/07/62/38/585076238.db2.gz FOTZIRUSMNRROV-JTQLQIEISA-N 1 2 213.277 0.395 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000838910090 585078059 /nfs/dbraw/zinc/07/80/59/585078059.db2.gz ZQBUUBFOMCHIOW-JQWIXIFHSA-N 1 2 227.304 0.689 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838928589 585081116 /nfs/dbraw/zinc/08/11/16/585081116.db2.gz PKYCZSJYWCJZOA-LSJOCFKGSA-N 1 2 229.320 0.935 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)C ZINC000838929627 585081330 /nfs/dbraw/zinc/08/13/30/585081330.db2.gz ZSOLGZYJIDEURU-ZJUUUORDSA-N 1 2 215.293 0.545 20 0 BCADLO CCn1ncc(C[NH2+]C2COC(C)(C)OC2)n1 ZINC000839010923 585087109 /nfs/dbraw/zinc/08/71/09/585087109.db2.gz CBVCVYINQPZGBD-UHFFFAOYSA-N 1 2 240.307 0.539 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000839113139 585091761 /nfs/dbraw/zinc/09/17/61/585091761.db2.gz ZEQVDKHRMXXOBS-JQWIXIFHSA-N 1 2 245.319 0.315 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839148680 585092388 /nfs/dbraw/zinc/09/23/88/585092388.db2.gz LSDWRDXJCPBQPM-ZYHUDNBSSA-N 1 2 245.319 0.147 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000839148680 585092389 /nfs/dbraw/zinc/09/23/89/585092389.db2.gz LSDWRDXJCPBQPM-ZYHUDNBSSA-N 1 2 245.319 0.147 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1cnn(CC)n1 ZINC000839120150 585092886 /nfs/dbraw/zinc/09/28/86/585092886.db2.gz IEBCMZXOATXCKX-JTQLQIEISA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1cnn(CC)n1 ZINC000839120150 585092887 /nfs/dbraw/zinc/09/28/87/585092887.db2.gz IEBCMZXOATXCKX-JTQLQIEISA-N 1 2 212.297 0.501 20 0 BCADLO CCCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741145250 585110388 /nfs/dbraw/zinc/11/03/88/585110388.db2.gz QHTXEAXOFLNBQV-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741145250 585110389 /nfs/dbraw/zinc/11/03/89/585110389.db2.gz QHTXEAXOFLNBQV-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO COC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147910 585110519 /nfs/dbraw/zinc/11/05/19/585110519.db2.gz YFLBHHYQHXHEAV-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO COC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147910 585110520 /nfs/dbraw/zinc/11/05/20/585110520.db2.gz YFLBHHYQHXHEAV-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO CCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741148816 585110746 /nfs/dbraw/zinc/11/07/46/585110746.db2.gz LXLCRCJPHVRYAD-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741148816 585110747 /nfs/dbraw/zinc/11/07/47/585110747.db2.gz LXLCRCJPHVRYAD-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000741250126 585111681 /nfs/dbraw/zinc/11/16/81/585111681.db2.gz RTHZZAZKCSPHBP-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000741250126 585111682 /nfs/dbraw/zinc/11/16/82/585111682.db2.gz RTHZZAZKCSPHBP-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO O=C(Cn1cncn1)Nc1cccc2[nH+]ccn21 ZINC000741969608 585121250 /nfs/dbraw/zinc/12/12/50/585121250.db2.gz DZUVWSDYQLPXQG-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1(C)COC1 ZINC000742359475 585124723 /nfs/dbraw/zinc/12/47/23/585124723.db2.gz ZFCPKBJJXPNCJV-UHFFFAOYSA-N 1 2 243.307 0.436 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000742365245 585124976 /nfs/dbraw/zinc/12/49/76/585124976.db2.gz MWECRNCUKJMPBP-SECBINFHSA-N 1 2 245.323 0.682 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(N)=O ZINC000745082782 585155985 /nfs/dbraw/zinc/15/59/85/585155985.db2.gz IKPINMFZFLDVQX-IUCAKERBSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(N)=O ZINC000745082782 585155986 /nfs/dbraw/zinc/15/59/86/585155986.db2.gz IKPINMFZFLDVQX-IUCAKERBSA-N 1 2 228.292 0.278 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC000745084603 585156678 /nfs/dbraw/zinc/15/66/78/585156678.db2.gz WNIYWOORWJXNGT-NXEZZACHSA-N 1 2 242.319 0.668 20 0 BCADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC000745084603 585156679 /nfs/dbraw/zinc/15/66/79/585156679.db2.gz WNIYWOORWJXNGT-NXEZZACHSA-N 1 2 242.319 0.668 20 0 BCADLO COc1ncc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000746242947 585166283 /nfs/dbraw/zinc/16/62/83/585166283.db2.gz OZNQGRFRJMBWRH-UHFFFAOYSA-N 1 2 247.258 0.181 20 0 BCADLO C[N@H+](C[C@H]1CCCO1)Cn1ccsc1=O ZINC000746619432 585171267 /nfs/dbraw/zinc/17/12/67/585171267.db2.gz KJVNGFMQXKMZKY-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[N@@H+](C[C@H]1CCCO1)Cn1ccsc1=O ZINC000746619432 585171268 /nfs/dbraw/zinc/17/12/68/585171268.db2.gz KJVNGFMQXKMZKY-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cn1ccsc1=O ZINC000746615934 585171278 /nfs/dbraw/zinc/17/12/78/585171278.db2.gz RJTNETRXJLQJQK-UHFFFAOYSA-N 1 2 244.316 0.752 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cn1ccsc1=O ZINC000746615934 585171279 /nfs/dbraw/zinc/17/12/79/585171279.db2.gz RJTNETRXJLQJQK-UHFFFAOYSA-N 1 2 244.316 0.752 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)c1nc[nH]n1)C2 ZINC000886618256 585171706 /nfs/dbraw/zinc/17/17/06/585171706.db2.gz SZQFUVJRDQFNMF-UHFFFAOYSA-N 1 2 246.274 0.220 20 0 BCADLO CCCNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789610192 585173418 /nfs/dbraw/zinc/17/34/18/585173418.db2.gz NWQOCGKXCXLUJN-QMMMGPOBSA-N 1 2 229.280 0.190 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NCc1ccon1 ZINC000747441719 585178989 /nfs/dbraw/zinc/17/89/89/585178989.db2.gz XXZSZTSQBVFNDU-UHFFFAOYSA-N 1 2 249.274 0.761 20 0 BCADLO O=C(C[C@H]1CCOC1)OCC[NH+]1CCOCC1 ZINC000747704047 585182495 /nfs/dbraw/zinc/18/24/95/585182495.db2.gz NUWKGEJZMKDUAV-LLVKDONJSA-N 1 2 243.303 0.288 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCOC1 ZINC000747825414 585184704 /nfs/dbraw/zinc/18/47/04/585184704.db2.gz PRBSPDJFKDGMKI-VIFPVBQESA-N 1 2 216.281 0.946 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2[nH+]ccn2CC)C1=O ZINC000747837529 585184919 /nfs/dbraw/zinc/18/49/19/585184919.db2.gz NDYZSKWDQWHIJZ-QMMMGPOBSA-N 1 2 236.275 0.733 20 0 BCADLO O=C1SCCN1C[N@@H+]1CCCOCC1 ZINC000748072173 585186885 /nfs/dbraw/zinc/18/68/85/585186885.db2.gz CVJAUKOZBLLQEG-UHFFFAOYSA-N 1 2 216.306 0.835 20 0 BCADLO O=C1SCCN1C[N@H+]1CCCOCC1 ZINC000748072173 585186886 /nfs/dbraw/zinc/18/68/86/585186886.db2.gz CVJAUKOZBLLQEG-UHFFFAOYSA-N 1 2 216.306 0.835 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnsn1 ZINC000748312883 585190797 /nfs/dbraw/zinc/19/07/97/585190797.db2.gz QQQUMERHQMMQST-UHFFFAOYSA-N 1 2 222.229 0.313 20 0 BCADLO COc1ncc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000748312599 585190814 /nfs/dbraw/zinc/19/08/14/585190814.db2.gz OQVOOKDNDBWNIE-UHFFFAOYSA-N 1 2 246.226 0.260 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)CC[N@@H+]1C ZINC000748348298 585190918 /nfs/dbraw/zinc/19/09/18/585190918.db2.gz FGYUDNPYRMQEBM-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)CC[N@H+]1C ZINC000748348298 585190919 /nfs/dbraw/zinc/19/09/19/585190919.db2.gz FGYUDNPYRMQEBM-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCCNC(=O)C1 ZINC000750043858 585209710 /nfs/dbraw/zinc/20/97/10/585209710.db2.gz NHSFNMXOLSLPSQ-SNVBAGLBSA-N 1 2 219.288 0.965 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCCNC(=O)C1 ZINC000750043858 585209711 /nfs/dbraw/zinc/20/97/11/585209711.db2.gz NHSFNMXOLSLPSQ-SNVBAGLBSA-N 1 2 219.288 0.965 20 0 BCADLO Cc1cc(NCCCc2n[nH]c(=O)[nH]2)nc(N)[nH+]1 ZINC000750178688 585212052 /nfs/dbraw/zinc/21/20/52/585212052.db2.gz GNKNBSSICRZESS-UHFFFAOYSA-N 1 2 249.278 0.236 20 0 BCADLO O=C(Nc1cn[nH]n1)c1cccc2[nH+]ccn21 ZINC000789928302 585212590 /nfs/dbraw/zinc/21/25/90/585212590.db2.gz KEHMMCGNAYQKDE-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO CO[C@@H](C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747270 585219513 /nfs/dbraw/zinc/21/95/13/585219513.db2.gz QPICRKVRKVCQHO-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747270 585219514 /nfs/dbraw/zinc/21/95/14/585219514.db2.gz QPICRKVRKVCQHO-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)NC(=S)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751015390 585223414 /nfs/dbraw/zinc/22/34/14/585223414.db2.gz NMQZCFSNJSUZBJ-SNVBAGLBSA-N 1 2 245.392 0.580 20 0 BCADLO CC(C)NC(=S)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751015390 585223415 /nfs/dbraw/zinc/22/34/15/585223415.db2.gz NMQZCFSNJSUZBJ-SNVBAGLBSA-N 1 2 245.392 0.580 20 0 BCADLO c1cc(C[NH2+]CCCNc2ncccn2)[nH]n1 ZINC000751507807 585231466 /nfs/dbraw/zinc/23/14/66/585231466.db2.gz XEBIDEIYEKJQNY-UHFFFAOYSA-N 1 2 232.291 0.792 20 0 BCADLO CC(C)c1nc(N2C[C@H](O)C[C@H](O)C2)cc[nH+]1 ZINC000751962622 585239877 /nfs/dbraw/zinc/23/98/77/585239877.db2.gz VDCWTXZZVBSFES-AOOOYVTPSA-N 1 2 237.303 0.532 20 0 BCADLO CO[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000751969877 585240225 /nfs/dbraw/zinc/24/02/25/585240225.db2.gz XLRAQEVDHJHIRW-SNVBAGLBSA-N 1 2 245.286 0.887 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000752090659 585242242 /nfs/dbraw/zinc/24/22/42/585242242.db2.gz BYDSVYOZVDPARV-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)n2)C1 ZINC000752090659 585242243 /nfs/dbraw/zinc/24/22/43/585242243.db2.gz BYDSVYOZVDPARV-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO COc1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000752807237 585250372 /nfs/dbraw/zinc/25/03/72/585250372.db2.gz UVZJHSFMQXGNDZ-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000752807237 585250373 /nfs/dbraw/zinc/25/03/73/585250373.db2.gz UVZJHSFMQXGNDZ-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO Cn1nncc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000752949868 585251638 /nfs/dbraw/zinc/25/16/38/585251638.db2.gz HSILABNKVJCOAJ-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO COC/C=C\C(=O)NCc1c[nH+]cn1C ZINC000752951540 585251861 /nfs/dbraw/zinc/25/18/61/585251861.db2.gz IXINFLZMVVYHFX-ARJAWSKDSA-N 1 2 209.249 0.239 20 0 BCADLO CCN(CCS(C)(=O)=O)Cc1c[nH+]cn1C ZINC000753202740 585255176 /nfs/dbraw/zinc/25/51/76/585255176.db2.gz FLIIKTXYJDXNAY-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO CCON(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000753476919 585259562 /nfs/dbraw/zinc/25/95/62/585259562.db2.gz XLGHBBQJRFAYLY-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000753476919 585259563 /nfs/dbraw/zinc/25/95/63/585259563.db2.gz XLGHBBQJRFAYLY-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)C)C[C@@H]1C ZINC000754045924 585276110 /nfs/dbraw/zinc/27/61/10/585276110.db2.gz CTGFHXMGWWOCCV-NSHDSACASA-N 1 2 248.392 0.998 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC(C)C)C[C@@H]1C ZINC000754045924 585276111 /nfs/dbraw/zinc/27/61/11/585276111.db2.gz CTGFHXMGWWOCCV-NSHDSACASA-N 1 2 248.392 0.998 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859218130 589020680 /nfs/dbraw/zinc/02/06/80/589020680.db2.gz IMICGRJBIDESNT-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859218130 589020682 /nfs/dbraw/zinc/02/06/82/589020682.db2.gz IMICGRJBIDESNT-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO Cc1nonc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000754386395 585283835 /nfs/dbraw/zinc/28/38/35/585283835.db2.gz YGQRGXYLBIQWQM-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nonc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000754386395 585283836 /nfs/dbraw/zinc/28/38/36/585283836.db2.gz YGQRGXYLBIQWQM-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO COC(=O)C[N@H+](C)CCC1OCCCO1 ZINC000754667632 585289137 /nfs/dbraw/zinc/28/91/37/585289137.db2.gz DIIWCSMOTSOVSR-UHFFFAOYSA-N 1 2 217.265 0.244 20 0 BCADLO COC(=O)C[N@@H+](C)CCC1OCCCO1 ZINC000754667632 585289138 /nfs/dbraw/zinc/28/91/38/585289138.db2.gz DIIWCSMOTSOVSR-UHFFFAOYSA-N 1 2 217.265 0.244 20 0 BCADLO CCOCCOCC(=O)OCc1c[nH+]cn1C ZINC000754683827 585289348 /nfs/dbraw/zinc/28/93/48/585289348.db2.gz DHNSKAMONMGBPP-UHFFFAOYSA-N 1 2 242.275 0.516 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cccn(C)c1=O ZINC000754685839 585289409 /nfs/dbraw/zinc/28/94/09/585289409.db2.gz UMGDVLYXPGXYQY-UHFFFAOYSA-N 1 2 247.254 0.476 20 0 BCADLO CC(C)OCC(=O)OCc1c[nH+]cn1C ZINC000754688254 585289476 /nfs/dbraw/zinc/28/94/76/585289476.db2.gz YNIAUEAOWYFASA-UHFFFAOYSA-N 1 2 212.249 0.888 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCN2CCOC2=O)n1 ZINC000754688122 585289593 /nfs/dbraw/zinc/28/95/93/585289593.db2.gz FVAQJVRAJKENAU-SSDOTTSWSA-N 1 2 240.263 0.481 20 0 BCADLO Cc1[nH]c(C(=O)NC2(C(N)=O)CCCC2)c[nH+]1 ZINC000755257908 585297006 /nfs/dbraw/zinc/29/70/06/585297006.db2.gz NPQXJOGVWWNDTP-UHFFFAOYSA-N 1 2 236.275 0.246 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)C=C2CCC2)C1 ZINC000755359655 585298487 /nfs/dbraw/zinc/29/84/87/585298487.db2.gz BZNFMFCRCWFHGD-LBPRGKRZSA-N 1 2 237.347 0.459 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)C=C2CCC2)C1 ZINC000755359655 585298488 /nfs/dbraw/zinc/29/84/88/585298488.db2.gz BZNFMFCRCWFHGD-LBPRGKRZSA-N 1 2 237.347 0.459 20 0 BCADLO CCC1(C(=O)N2CC(n3cc[nH+]c3)C2)COC1 ZINC000755383531 585298693 /nfs/dbraw/zinc/29/86/93/585298693.db2.gz JJLNZVMQHALBFS-UHFFFAOYSA-N 1 2 235.287 0.693 20 0 BCADLO C[C@@]1(C(=O)OCC[NH+]2CCOCC2)CCCO1 ZINC000756558025 585320963 /nfs/dbraw/zinc/32/09/63/585320963.db2.gz NPQAPSMPKPQXPU-LBPRGKRZSA-N 1 2 243.303 0.431 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CCO)C2CC2)c[nH+]1 ZINC000757090336 585328187 /nfs/dbraw/zinc/32/81/87/585328187.db2.gz PAXLPTOYOLFHFG-VIFPVBQESA-N 1 2 223.276 0.609 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000839534470 585329413 /nfs/dbraw/zinc/32/94/13/585329413.db2.gz SOGGWEDQRWTULO-HRDYMLBCSA-N 1 2 248.334 0.675 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000839534470 585329414 /nfs/dbraw/zinc/32/94/14/585329414.db2.gz SOGGWEDQRWTULO-HRDYMLBCSA-N 1 2 248.334 0.675 20 0 BCADLO NC(=[NH+]OCC1(CO)COC1)c1ccccc1 ZINC000757344347 585332732 /nfs/dbraw/zinc/33/27/32/585332732.db2.gz YZOUWMJUPYMAMK-UHFFFAOYSA-N 1 2 236.271 0.542 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626264 585332800 /nfs/dbraw/zinc/33/28/00/585332800.db2.gz QPOQNKQJBDVDES-LLVKDONJSA-N 1 2 227.304 0.860 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626264 585332801 /nfs/dbraw/zinc/33/28/01/585332801.db2.gz QPOQNKQJBDVDES-LLVKDONJSA-N 1 2 227.304 0.860 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1)OCC ZINC000839670487 585336470 /nfs/dbraw/zinc/33/64/70/585336470.db2.gz GNRKENIMCPTMCV-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1CCO[C@@H]([C@@H](C)O)C1)OCC ZINC000839670487 585336471 /nfs/dbraw/zinc/33/64/71/585336471.db2.gz GNRKENIMCPTMCV-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO C[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)CC1 ZINC000758307009 585353063 /nfs/dbraw/zinc/35/30/63/585353063.db2.gz OAXPGNBVIOWTPL-SNVBAGLBSA-N 1 2 224.308 0.661 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)CC1 ZINC000758307009 585353064 /nfs/dbraw/zinc/35/30/64/585353064.db2.gz OAXPGNBVIOWTPL-SNVBAGLBSA-N 1 2 224.308 0.661 20 0 BCADLO Cn1cnn(C[NH+](CC2CC2)CC2CC2)c1=O ZINC000758331593 585353988 /nfs/dbraw/zinc/35/39/88/585353988.db2.gz WHNIHYBQFRTKLJ-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333874 585354171 /nfs/dbraw/zinc/35/41/71/585354171.db2.gz ZELVDKPEIXNNNO-ZJUUUORDSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758333874 585354172 /nfs/dbraw/zinc/35/41/72/585354172.db2.gz ZELVDKPEIXNNNO-ZJUUUORDSA-N 1 2 247.302 0.579 20 0 BCADLO CCOCC[S@](=O)Cc1c[nH+]cn1C ZINC000758414686 585355931 /nfs/dbraw/zinc/35/59/31/585355931.db2.gz QXVYQSGWEYHGQN-AWEZNQCLSA-N 1 2 216.306 0.705 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CCF)CC1 ZINC000759326578 585367408 /nfs/dbraw/zinc/36/74/08/585367408.db2.gz GTVIQKRJICGCQW-LLVKDONJSA-N 1 2 245.342 0.488 20 0 BCADLO CC[C@H](C)NC(=O)C[NH+]1CCN(CCF)CC1 ZINC000759326593 585367437 /nfs/dbraw/zinc/36/74/37/585367437.db2.gz GTVIQKRJICGCQW-NSHDSACASA-N 1 2 245.342 0.488 20 0 BCADLO CCCCNC(=O)C[NH+]1CCN(CCF)CC1 ZINC000759333136 585368258 /nfs/dbraw/zinc/36/82/58/585368258.db2.gz UXUSOYFOVZTDKP-UHFFFAOYSA-N 1 2 245.342 0.490 20 0 BCADLO O=C1C[N@@H+](CCF)[C@H]2CCCC[C@H]2N1 ZINC000759370761 585371689 /nfs/dbraw/zinc/37/16/89/585371689.db2.gz HGGFEJYUUANJGJ-BDAKNGLRSA-N 1 2 200.257 0.699 20 0 BCADLO O=C1C[N@H+](CCF)[C@H]2CCCC[C@H]2N1 ZINC000759370761 585371690 /nfs/dbraw/zinc/37/16/90/585371690.db2.gz HGGFEJYUUANJGJ-BDAKNGLRSA-N 1 2 200.257 0.699 20 0 BCADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC000759529823 585374547 /nfs/dbraw/zinc/37/45/47/585374547.db2.gz JFXYPHGKQCKWBS-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC000759529823 585374548 /nfs/dbraw/zinc/37/45/48/585374548.db2.gz JFXYPHGKQCKWBS-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000759710292 585379052 /nfs/dbraw/zinc/37/90/52/585379052.db2.gz DZXIEUHUFTUUJX-KOLCDFICSA-N 1 2 233.267 0.765 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)C1CC(O)C1 ZINC000759874879 585382043 /nfs/dbraw/zinc/38/20/43/585382043.db2.gz QDKRBCHCZBJNBA-UHFFFAOYSA-N 1 2 235.349 0.265 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000759874879 585382044 /nfs/dbraw/zinc/38/20/44/585382044.db2.gz QDKRBCHCZBJNBA-UHFFFAOYSA-N 1 2 235.349 0.265 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C1CC(O)C1 ZINC000759874026 585382278 /nfs/dbraw/zinc/38/22/78/585382278.db2.gz ULIOYYVUSPLCND-UHFFFAOYSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000759874026 585382279 /nfs/dbraw/zinc/38/22/79/585382279.db2.gz ULIOYYVUSPLCND-UHFFFAOYSA-N 1 2 215.293 0.641 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCC(=O)NC)C(C)(C)C ZINC000760916676 585401579 /nfs/dbraw/zinc/40/15/79/585401579.db2.gz KDFLAANRVYJRFZ-SNVBAGLBSA-N 1 2 244.335 0.690 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761045108 585404323 /nfs/dbraw/zinc/40/43/23/585404323.db2.gz OIDHNGACWCPZLH-RXMQYKEDSA-N 1 2 239.197 0.066 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761045108 585404324 /nfs/dbraw/zinc/40/43/24/585404324.db2.gz OIDHNGACWCPZLH-RXMQYKEDSA-N 1 2 239.197 0.066 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761071098 585405125 /nfs/dbraw/zinc/40/51/25/585405125.db2.gz BUMPKQWNBHBVIR-NSHDSACASA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761071098 585405126 /nfs/dbraw/zinc/40/51/26/585405126.db2.gz BUMPKQWNBHBVIR-NSHDSACASA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000761071098 585405127 /nfs/dbraw/zinc/40/51/27/585405127.db2.gz BUMPKQWNBHBVIR-NSHDSACASA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)S(=O)(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761071098 585405128 /nfs/dbraw/zinc/40/51/28/585405128.db2.gz BUMPKQWNBHBVIR-NSHDSACASA-N 1 2 248.392 0.446 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761069303 585405130 /nfs/dbraw/zinc/40/51/30/585405130.db2.gz JXHJTNWDSHDRGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761069303 585405131 /nfs/dbraw/zinc/40/51/31/585405131.db2.gz JXHJTNWDSHDRGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000761069303 585405132 /nfs/dbraw/zinc/40/51/32/585405132.db2.gz JXHJTNWDSHDRGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761069303 585405133 /nfs/dbraw/zinc/40/51/33/585405133.db2.gz JXHJTNWDSHDRGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000761069381 585405431 /nfs/dbraw/zinc/40/54/31/585405431.db2.gz LBNFVQPAJDIWEM-RYUDHWBXSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000761069381 585405432 /nfs/dbraw/zinc/40/54/32/585405432.db2.gz LBNFVQPAJDIWEM-RYUDHWBXSA-N 1 2 239.363 0.632 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761071974 585405517 /nfs/dbraw/zinc/40/55/17/585405517.db2.gz CQQWUUSTRREZRG-QWRGUYRKSA-N 1 2 227.352 0.537 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761071974 585405518 /nfs/dbraw/zinc/40/55/18/585405518.db2.gz CQQWUUSTRREZRG-QWRGUYRKSA-N 1 2 227.352 0.537 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761076685 585406073 /nfs/dbraw/zinc/40/60/73/585406073.db2.gz JGFINFHMVRXIMW-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@H](C)C1 ZINC000761076685 585406074 /nfs/dbraw/zinc/40/60/74/585406074.db2.gz JGFINFHMVRXIMW-LLVKDONJSA-N 1 2 227.352 0.491 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1SCCS1 ZINC000761169739 585411814 /nfs/dbraw/zinc/41/18/14/585411814.db2.gz XJKDKLBVCZMCOC-UHFFFAOYSA-N 1 2 229.330 0.832 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1SCCS1 ZINC000761169739 585411815 /nfs/dbraw/zinc/41/18/15/585411815.db2.gz XJKDKLBVCZMCOC-UHFFFAOYSA-N 1 2 229.330 0.832 20 0 BCADLO CC1CC[NH+](CC(=O)NCC[S@](C)=O)CC1 ZINC000761751524 585418447 /nfs/dbraw/zinc/41/84/47/585418447.db2.gz ICRNLNBLXMCHEJ-INIZCTEOSA-N 1 2 246.376 0.213 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000761887525 585422285 /nfs/dbraw/zinc/42/22/85/585422285.db2.gz UTNZCZHPURIMPN-SECBINFHSA-N 1 2 223.276 0.711 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000761887525 585422286 /nfs/dbraw/zinc/42/22/86/585422286.db2.gz UTNZCZHPURIMPN-SECBINFHSA-N 1 2 223.276 0.711 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)C(=O)O1 ZINC000762040143 585424955 /nfs/dbraw/zinc/42/49/55/585424955.db2.gz DOCJFOHCIGDYTP-MRVPVSSYSA-N 1 2 237.259 0.093 20 0 BCADLO CO[C@H](C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000762412620 585431851 /nfs/dbraw/zinc/43/18/51/585431851.db2.gz ZJNNQQPRUPAKNN-MRVPVSSYSA-N 1 2 236.275 0.971 20 0 BCADLO C[C@H]1[N@H+](CCS(C)(=O)=O)CCOC1(C)C ZINC000763420755 585448006 /nfs/dbraw/zinc/44/80/06/585448006.db2.gz WIYWAFHTIZTARM-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1[N@@H+](CCS(C)(=O)=O)CCOC1(C)C ZINC000763420755 585448007 /nfs/dbraw/zinc/44/80/07/585448007.db2.gz WIYWAFHTIZTARM-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763888115 585455610 /nfs/dbraw/zinc/45/56/10/585455610.db2.gz GBDSDZQUHUYFPI-ZYHUDNBSSA-N 1 2 245.319 0.411 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763888115 585455611 /nfs/dbraw/zinc/45/56/11/585455611.db2.gz GBDSDZQUHUYFPI-ZYHUDNBSSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764201687 585461119 /nfs/dbraw/zinc/46/11/19/585461119.db2.gz OUCAQPHNMLYBQG-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201687 585461120 /nfs/dbraw/zinc/46/11/20/585461120.db2.gz OUCAQPHNMLYBQG-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764203183 585461654 /nfs/dbraw/zinc/46/16/54/585461654.db2.gz JRNGDTQGTNFJGG-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764203183 585461655 /nfs/dbraw/zinc/46/16/55/585461655.db2.gz JRNGDTQGTNFJGG-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000764581264 585468313 /nfs/dbraw/zinc/46/83/13/585468313.db2.gz OXEOPWOFIFTBNN-SECBINFHSA-N 1 2 214.309 0.167 20 0 BCADLO CCONC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764756462 585472914 /nfs/dbraw/zinc/47/29/14/585472914.db2.gz DZODMVANLCUAFA-UHFFFAOYSA-N 1 2 243.307 0.102 20 0 BCADLO C/C=C(\C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765121759 585481617 /nfs/dbraw/zinc/48/16/17/585481617.db2.gz KGWTYZGJJUZRAE-QDEBKDIKSA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H](CO)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000766730949 585506722 /nfs/dbraw/zinc/50/67/22/585506722.db2.gz OSOFUTPJQWHIFC-SECBINFHSA-N 1 2 238.287 0.768 20 0 BCADLO C[C@H](C(=O)OC[C@@H](C)CO)[NH+]1CCSCC1 ZINC000766730639 585506749 /nfs/dbraw/zinc/50/67/49/585506749.db2.gz NKCMHQVXHXDUDN-VHSXEESVSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CC1OCCO1 ZINC000767032049 585512958 /nfs/dbraw/zinc/51/29/58/585512958.db2.gz PLIDAKSNYLLGMM-SECBINFHSA-N 1 2 229.276 0.387 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CC1OCCO1 ZINC000767032049 585512959 /nfs/dbraw/zinc/51/29/59/585512959.db2.gz PLIDAKSNYLLGMM-SECBINFHSA-N 1 2 229.276 0.387 20 0 BCADLO CCC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767114323 585514421 /nfs/dbraw/zinc/51/44/21/585514421.db2.gz CFZSOLYYVVGLCL-VIFPVBQESA-N 1 2 245.344 0.946 20 0 BCADLO CCC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767114323 585514422 /nfs/dbraw/zinc/51/44/22/585514422.db2.gz CFZSOLYYVVGLCL-VIFPVBQESA-N 1 2 245.344 0.946 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C(C)(C)C1 ZINC000767127951 585514550 /nfs/dbraw/zinc/51/45/50/585514550.db2.gz FSSCQUWWLOULQR-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)C(C)(C)C1 ZINC000767127951 585514551 /nfs/dbraw/zinc/51/45/51/585514551.db2.gz FSSCQUWWLOULQR-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)C1CC1 ZINC000767373752 585518570 /nfs/dbraw/zinc/51/85/70/585518570.db2.gz BHPVNCIALARISW-VIFPVBQESA-N 1 2 247.360 0.721 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)C1CC1 ZINC000767373752 585518571 /nfs/dbraw/zinc/51/85/71/585518571.db2.gz BHPVNCIALARISW-VIFPVBQESA-N 1 2 247.360 0.721 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCOC[C@H]1CCO ZINC000767600071 585523150 /nfs/dbraw/zinc/52/31/50/585523150.db2.gz PLOUDROIOPGAIB-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccncc1C[N@H+]1CCOC[C@H]1CCO ZINC000767600071 585523151 /nfs/dbraw/zinc/52/31/51/585523151.db2.gz PLOUDROIOPGAIB-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO CC(=O)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC000768341640 585536264 /nfs/dbraw/zinc/53/62/64/585536264.db2.gz AYRFIRUJLILZOK-UHFFFAOYSA-N 1 2 223.276 0.711 20 0 BCADLO C/C=C/C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000768530062 585539729 /nfs/dbraw/zinc/53/97/29/585539729.db2.gz FIMOZNTWPRXUKN-NSCUHMNNSA-N 1 2 234.303 0.630 20 0 BCADLO CN1CC[C@H](O[NH+]=C(N)COC(C)(C)C)C1=O ZINC000768929114 585546205 /nfs/dbraw/zinc/54/62/05/585546205.db2.gz BYRCTFARLNUZDM-QMMMGPOBSA-N 1 2 243.307 0.531 20 0 BCADLO CC(C)NC(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768934089 585546411 /nfs/dbraw/zinc/54/64/11/585546411.db2.gz XXIHOXRXVFHMGE-UHFFFAOYSA-N 1 2 245.323 0.825 20 0 BCADLO CCCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769032192 585547926 /nfs/dbraw/zinc/54/79/26/585547926.db2.gz CVIPJTIWCKFYFY-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000769142691 585550090 /nfs/dbraw/zinc/55/00/90/585550090.db2.gz JDJVCWJQDBKXSF-UWVGGRQHSA-N 1 2 213.277 0.518 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147123 585550113 /nfs/dbraw/zinc/55/01/13/585550113.db2.gz UXYUFXRFGNOCRI-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147123 585550114 /nfs/dbraw/zinc/55/01/14/585550114.db2.gz UXYUFXRFGNOCRI-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO Cn1nccc1CC(=O)OCCn1cc[nH+]c1 ZINC000769334947 585554272 /nfs/dbraw/zinc/55/42/72/585554272.db2.gz XMVOMEJLYZZTHA-UHFFFAOYSA-N 1 2 234.259 0.403 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000769484094 585558136 /nfs/dbraw/zinc/55/81/36/585558136.db2.gz URVMPOPSANCTNL-JTQLQIEISA-N 1 2 222.244 0.916 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000769484094 585558137 /nfs/dbraw/zinc/55/81/37/585558137.db2.gz URVMPOPSANCTNL-JTQLQIEISA-N 1 2 222.244 0.916 20 0 BCADLO CC(C)NC(=S)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769792579 585563674 /nfs/dbraw/zinc/56/36/74/585563674.db2.gz KIHOKICVBVAEAQ-VHSXEESVSA-N 1 2 245.392 0.578 20 0 BCADLO CC(C)NC(=S)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769792579 585563675 /nfs/dbraw/zinc/56/36/75/585563675.db2.gz KIHOKICVBVAEAQ-VHSXEESVSA-N 1 2 245.392 0.578 20 0 BCADLO C[C@H](NC(=S)NC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000769791762 585563699 /nfs/dbraw/zinc/56/36/99/585563699.db2.gz HXMLCCOXZULJGT-WCBMZHEXSA-N 1 2 243.376 0.332 20 0 BCADLO C[C@H](NC(=S)NC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000769791762 585563700 /nfs/dbraw/zinc/56/37/00/585563700.db2.gz HXMLCCOXZULJGT-WCBMZHEXSA-N 1 2 243.376 0.332 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000769804884 585563993 /nfs/dbraw/zinc/56/39/93/585563993.db2.gz KJNNUQRRPLAGQK-LLVKDONJSA-N 1 2 240.307 0.361 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000769804884 585563994 /nfs/dbraw/zinc/56/39/94/585563994.db2.gz KJNNUQRRPLAGQK-LLVKDONJSA-N 1 2 240.307 0.361 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCNC1=O ZINC000770025734 585569895 /nfs/dbraw/zinc/56/98/95/585569895.db2.gz YXXWHRKFPOGIST-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCNC1=O ZINC000770025734 585569896 /nfs/dbraw/zinc/56/98/96/585569896.db2.gz YXXWHRKFPOGIST-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO CCNC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770396360 585573675 /nfs/dbraw/zinc/57/36/75/585573675.db2.gz OWLYEAGGMKZSRB-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO COC(=O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000770401008 585573766 /nfs/dbraw/zinc/57/37/66/585573766.db2.gz NWJZXACORLDOHK-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)[C@H]1CCOC1 ZINC000770506182 585575015 /nfs/dbraw/zinc/57/50/15/585575015.db2.gz XAQGJCGOCWZUSY-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)[C@H]1CCOC1 ZINC000770506182 585575016 /nfs/dbraw/zinc/57/50/16/585575016.db2.gz XAQGJCGOCWZUSY-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)[C@@H]1CCOC1 ZINC000770506180 585575045 /nfs/dbraw/zinc/57/50/45/585575045.db2.gz XAQGJCGOCWZUSY-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)[C@@H]1CCOC1 ZINC000770506180 585575046 /nfs/dbraw/zinc/57/50/46/585575046.db2.gz XAQGJCGOCWZUSY-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1(CCO)CC1 ZINC000770533843 585575753 /nfs/dbraw/zinc/57/57/53/585575753.db2.gz DKZHYQOXJQPEOE-UHFFFAOYSA-N 1 2 243.303 0.024 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H](CO)C1CC1 ZINC000771001023 585586701 /nfs/dbraw/zinc/58/67/01/585586701.db2.gz MMRJGNAYNVQTJS-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)C2CC2)c[nH+]1 ZINC000771039418 585588221 /nfs/dbraw/zinc/58/82/21/585588221.db2.gz BHTUJDYNJWZBMM-VIFPVBQESA-N 1 2 209.249 0.219 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409802 585593970 /nfs/dbraw/zinc/59/39/70/585593970.db2.gz YETSVPBOGAORQD-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409802 585593971 /nfs/dbraw/zinc/59/39/71/585593971.db2.gz YETSVPBOGAORQD-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO C[N@H+](CCc1cnccn1)[C@@H]1CCOC1=O ZINC000771461905 585594824 /nfs/dbraw/zinc/59/48/24/585594824.db2.gz GXFJVFXYXNELOZ-SNVBAGLBSA-N 1 2 221.260 0.266 20 0 BCADLO C[N@@H+](CCc1cnccn1)[C@@H]1CCOC1=O ZINC000771461905 585594825 /nfs/dbraw/zinc/59/48/25/585594825.db2.gz GXFJVFXYXNELOZ-SNVBAGLBSA-N 1 2 221.260 0.266 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000771463671 585594854 /nfs/dbraw/zinc/59/48/54/585594854.db2.gz XXCGUEZTURKUQS-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000771463671 585594855 /nfs/dbraw/zinc/59/48/55/585594855.db2.gz XXCGUEZTURKUQS-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000771463671 585594856 /nfs/dbraw/zinc/59/48/56/585594856.db2.gz XXCGUEZTURKUQS-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771463671 585594857 /nfs/dbraw/zinc/59/48/57/585594857.db2.gz XXCGUEZTURKUQS-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CON(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000771503339 585595589 /nfs/dbraw/zinc/59/55/89/585595589.db2.gz XHWJJZYNUWGEEE-UHFFFAOYSA-N 1 2 232.243 0.901 20 0 BCADLO COC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000771763560 585599964 /nfs/dbraw/zinc/59/99/64/585599964.db2.gz IXBQTRWVRUGXAX-SFYZADRCSA-N 1 2 202.254 0.062 20 0 BCADLO COC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000771763560 585599965 /nfs/dbraw/zinc/59/99/65/585599965.db2.gz IXBQTRWVRUGXAX-SFYZADRCSA-N 1 2 202.254 0.062 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1=COCCO1 ZINC000771857363 585602708 /nfs/dbraw/zinc/60/27/08/585602708.db2.gz HPSDKHHEXKESEY-UHFFFAOYSA-N 1 2 224.216 0.315 20 0 BCADLO Cn1cc(C(=O)OCCn2cc[nH+]c2)ccc1=O ZINC000771917462 585604411 /nfs/dbraw/zinc/60/44/11/585604411.db2.gz IFDQELLUJKVSHP-UHFFFAOYSA-N 1 2 247.254 0.439 20 0 BCADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)n[nH]1 ZINC000771923061 585604550 /nfs/dbraw/zinc/60/45/50/585604550.db2.gz PWBCXEAUWGGDMF-UHFFFAOYSA-N 1 2 220.232 0.772 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771929793 585604697 /nfs/dbraw/zinc/60/46/97/585604697.db2.gz YQKPKDDNPFWRJG-VHSXEESVSA-N 1 2 224.260 0.851 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cncc(O)c1 ZINC000771960835 585605603 /nfs/dbraw/zinc/60/56/03/585605603.db2.gz ZHRBXPYOCRXNGR-UHFFFAOYSA-N 1 2 233.227 0.841 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000772004326 585606707 /nfs/dbraw/zinc/60/67/07/585606707.db2.gz PPKIHUBQWJLBCV-SECBINFHSA-N 1 2 240.259 0.626 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H]2CCOC2)C1 ZINC000805468481 585620319 /nfs/dbraw/zinc/62/03/19/585620319.db2.gz GNFIZOMTEFTMJF-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H]2CCOC2)C1 ZINC000805468481 585620320 /nfs/dbraw/zinc/62/03/20/585620320.db2.gz GNFIZOMTEFTMJF-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)COC)C1 ZINC000805471144 585623669 /nfs/dbraw/zinc/62/36/69/585623669.db2.gz AQLRRFCSKVOIRI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)COC)C1 ZINC000805471144 585623670 /nfs/dbraw/zinc/62/36/70/585623670.db2.gz AQLRRFCSKVOIRI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cn[nH]c2)C1 ZINC000805471256 585623896 /nfs/dbraw/zinc/62/38/96/585623896.db2.gz DQNHPLWZDPWSPT-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCc2cn[nH]c2)C1 ZINC000805471256 585623897 /nfs/dbraw/zinc/62/38/97/585623897.db2.gz DQNHPLWZDPWSPT-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H]2CCCO2)C1 ZINC000805471743 585624114 /nfs/dbraw/zinc/62/41/14/585624114.db2.gz SKRXFRMUKBOCCM-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H]2CCCO2)C1 ZINC000805471743 585624115 /nfs/dbraw/zinc/62/41/15/585624115.db2.gz SKRXFRMUKBOCCM-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H]2CCCO2)C1 ZINC000805471744 585624130 /nfs/dbraw/zinc/62/41/30/585624130.db2.gz SKRXFRMUKBOCCM-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H]2CCCO2)C1 ZINC000805471744 585624131 /nfs/dbraw/zinc/62/41/31/585624131.db2.gz SKRXFRMUKBOCCM-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000773161002 585632770 /nfs/dbraw/zinc/63/27/70/585632770.db2.gz JSEOTJBNNHTNNA-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000773161002 585632771 /nfs/dbraw/zinc/63/27/71/585632771.db2.gz JSEOTJBNNHTNNA-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC2(O)CC2)C1 ZINC000805478741 585634199 /nfs/dbraw/zinc/63/41/99/585634199.db2.gz YGRKYSZFKKLNOK-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC2(O)CC2)C1 ZINC000805478741 585634200 /nfs/dbraw/zinc/63/42/00/585634200.db2.gz YGRKYSZFKKLNOK-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC=CO1 ZINC000773850681 585644907 /nfs/dbraw/zinc/64/49/07/585644907.db2.gz DISHLVVPPLEOTC-LLVKDONJSA-N 1 2 235.287 0.772 20 0 BCADLO Cc1ncc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000773899247 585646073 /nfs/dbraw/zinc/64/60/73/585646073.db2.gz PTHFLBINQJUIDY-UHFFFAOYSA-N 1 2 221.304 0.988 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000774620310 585662269 /nfs/dbraw/zinc/66/22/69/585662269.db2.gz BKZFTCNITABUHY-UHFFFAOYSA-N 1 2 244.335 0.896 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000774620310 585662270 /nfs/dbraw/zinc/66/22/70/585662270.db2.gz BKZFTCNITABUHY-UHFFFAOYSA-N 1 2 244.335 0.896 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000775569903 585680439 /nfs/dbraw/zinc/68/04/39/585680439.db2.gz HZLPXLSVVNPURO-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1nnnn1C1CC1 ZINC000775569903 585680440 /nfs/dbraw/zinc/68/04/40/585680440.db2.gz HZLPXLSVVNPURO-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H]1CCOCCN1C(=O)Cn1cc[nH+]c1 ZINC000775595434 585681144 /nfs/dbraw/zinc/68/11/44/585681144.db2.gz KJMIRFYHJVEPTR-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CCc1nn(C)cc1C[N@H+](CC)CC(=O)NC ZINC000775652624 585682489 /nfs/dbraw/zinc/68/24/89/585682489.db2.gz OGZQFMJJYKPIOS-UHFFFAOYSA-N 1 2 238.335 0.550 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](CC)CC(=O)NC ZINC000775652624 585682490 /nfs/dbraw/zinc/68/24/90/585682490.db2.gz OGZQFMJJYKPIOS-UHFFFAOYSA-N 1 2 238.335 0.550 20 0 BCADLO Cc1cc(NC(=O)N2CCCNC(=O)C2)cc[nH+]1 ZINC000775696413 585683599 /nfs/dbraw/zinc/68/35/99/585683599.db2.gz AEWIMIMXTHEVBH-UHFFFAOYSA-N 1 2 248.286 0.166 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000776597054 585702220 /nfs/dbraw/zinc/70/22/20/585702220.db2.gz FEFSANFIIYIPPY-UWVGGRQHSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000776597054 585702221 /nfs/dbraw/zinc/70/22/21/585702221.db2.gz FEFSANFIIYIPPY-UWVGGRQHSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)(NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC000776922867 585706821 /nfs/dbraw/zinc/70/68/21/585706821.db2.gz UHNAWRURPYDXHR-UHFFFAOYSA-N 1 2 246.270 0.328 20 0 BCADLO CCn1cc(C[N@H+](C)CC2OCCO2)cn1 ZINC000777584166 585715887 /nfs/dbraw/zinc/71/58/87/585715887.db2.gz MBIJFOVKCROUEJ-UHFFFAOYSA-N 1 2 225.292 0.708 20 0 BCADLO CCn1cc(C[N@@H+](C)CC2OCCO2)cn1 ZINC000777584166 585715888 /nfs/dbraw/zinc/71/58/88/585715888.db2.gz MBIJFOVKCROUEJ-UHFFFAOYSA-N 1 2 225.292 0.708 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000777606046 585717021 /nfs/dbraw/zinc/71/70/21/585717021.db2.gz ZTWWPBLBIASEDG-UHFFFAOYSA-N 1 2 243.303 0.241 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000777606046 585717022 /nfs/dbraw/zinc/71/70/22/585717022.db2.gz ZTWWPBLBIASEDG-UHFFFAOYSA-N 1 2 243.303 0.241 20 0 BCADLO CCC[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000777713585 585718913 /nfs/dbraw/zinc/71/89/13/585718913.db2.gz KMQNRENXHUGBCX-JTQLQIEISA-N 1 2 215.293 0.860 20 0 BCADLO COc1ccc(C[N@H+](C)CC2OCCO2)cn1 ZINC000777713515 585718955 /nfs/dbraw/zinc/71/89/55/585718955.db2.gz SKTGUNRRYYULEZ-UHFFFAOYSA-N 1 2 238.287 0.895 20 0 BCADLO COc1ccc(C[N@@H+](C)CC2OCCO2)cn1 ZINC000777713515 585718956 /nfs/dbraw/zinc/71/89/56/585718956.db2.gz SKTGUNRRYYULEZ-UHFFFAOYSA-N 1 2 238.287 0.895 20 0 BCADLO C[C@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000777968384 585724848 /nfs/dbraw/zinc/72/48/48/585724848.db2.gz OMPGGFHFDAJHBA-IUCAKERBSA-N 1 2 243.282 0.518 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000777968384 585724849 /nfs/dbraw/zinc/72/48/49/585724849.db2.gz OMPGGFHFDAJHBA-IUCAKERBSA-N 1 2 243.282 0.518 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@@H]1CCCN(C)C1=O ZINC000778599367 585738026 /nfs/dbraw/zinc/73/80/26/585738026.db2.gz XMZPVQDORPOQOW-HTQZYQBOSA-N 1 2 229.280 0.141 20 0 BCADLO C[C@@H](CCO)[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000779418132 585754529 /nfs/dbraw/zinc/75/45/29/585754529.db2.gz RWSFWTKHOWWHLY-VIFPVBQESA-N 1 2 238.287 0.734 20 0 BCADLO CC(C)CS(=O)(=O)NCc1[nH+]ccn1C ZINC000779633494 585757758 /nfs/dbraw/zinc/75/77/58/585757758.db2.gz DCIAJVHHYYUEDU-UHFFFAOYSA-N 1 2 231.321 0.496 20 0 BCADLO Cc1noc([C@@H](C)O[NH+]=C(N)CCO)n1 ZINC000780127789 585772779 /nfs/dbraw/zinc/77/27/79/585772779.db2.gz QITUFXLRSYISCF-RXMQYKEDSA-N 1 2 214.225 0.320 20 0 BCADLO CCON(C)C(=S)NCC[NH+]1CCOCC1 ZINC000780242342 585774583 /nfs/dbraw/zinc/77/45/83/585774583.db2.gz BYUVPYXWKLWALW-UHFFFAOYSA-N 1 2 247.364 0.076 20 0 BCADLO Cn1nncc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000780893262 585785728 /nfs/dbraw/zinc/78/57/28/585785728.db2.gz SVWPPHISIVIRTJ-UHFFFAOYSA-N 1 2 238.291 0.154 20 0 BCADLO Cn1nncc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000780893262 585785729 /nfs/dbraw/zinc/78/57/29/585785729.db2.gz SVWPPHISIVIRTJ-UHFFFAOYSA-N 1 2 238.291 0.154 20 0 BCADLO O=C1NCC2(CC[NH+](Cc3ccon3)CC2)O1 ZINC000782005057 585806374 /nfs/dbraw/zinc/80/63/74/585806374.db2.gz WPZPVIUDBYKYSP-UHFFFAOYSA-N 1 2 237.259 0.749 20 0 BCADLO CCOCC(=O)OCCCn1cc[nH+]c1 ZINC000782053857 585807561 /nfs/dbraw/zinc/80/75/61/585807561.db2.gz YJZOVWFCUKDMOC-UHFFFAOYSA-N 1 2 212.249 0.853 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCNC(=O)C1 ZINC000782487204 585819010 /nfs/dbraw/zinc/81/90/10/585819010.db2.gz FSZCDQIDIXZGSH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1oncc1C[N@H+]1CCCNC(=O)C1 ZINC000782487204 585819011 /nfs/dbraw/zinc/81/90/11/585819011.db2.gz FSZCDQIDIXZGSH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCOCC2(CC2)C1 ZINC000782539459 585819882 /nfs/dbraw/zinc/81/98/82/585819882.db2.gz VIUAWKORFYMNGT-VIFPVBQESA-N 1 2 211.261 0.414 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCOCC2(CC2)C1 ZINC000782539459 585819883 /nfs/dbraw/zinc/81/98/83/585819883.db2.gz VIUAWKORFYMNGT-VIFPVBQESA-N 1 2 211.261 0.414 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1ccncc1 ZINC000782579151 585820101 /nfs/dbraw/zinc/82/01/01/585820101.db2.gz FQLKUZPROWGEIM-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1ccncc1 ZINC000782579151 585820102 /nfs/dbraw/zinc/82/01/02/585820102.db2.gz FQLKUZPROWGEIM-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO COCCC[N@H+](CCO)Cc1nonc1C ZINC000782578724 585820113 /nfs/dbraw/zinc/82/01/13/585820113.db2.gz KRIAQYSSYIOHGH-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO COCCC[N@@H+](CCO)Cc1nonc1C ZINC000782578724 585820114 /nfs/dbraw/zinc/82/01/14/585820114.db2.gz KRIAQYSSYIOHGH-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccccn1 ZINC000782586315 585820862 /nfs/dbraw/zinc/82/08/62/585820862.db2.gz SROOMUBCKRBBPJ-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccccn1 ZINC000782586315 585820863 /nfs/dbraw/zinc/82/08/63/585820863.db2.gz SROOMUBCKRBBPJ-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606583 585821633 /nfs/dbraw/zinc/82/16/33/585821633.db2.gz SKTLIWQHYBHWLH-JOYOIKCWSA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606583 585821634 /nfs/dbraw/zinc/82/16/34/585821634.db2.gz SKTLIWQHYBHWLH-JOYOIKCWSA-N 1 2 227.304 0.642 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1nccs1)C2 ZINC000782610036 585821929 /nfs/dbraw/zinc/82/19/29/585821929.db2.gz UDJPOVBIXSAQEX-WCBMZHEXSA-N 1 2 210.302 0.957 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nccs1)C2 ZINC000782610036 585821930 /nfs/dbraw/zinc/82/19/30/585821930.db2.gz UDJPOVBIXSAQEX-WCBMZHEXSA-N 1 2 210.302 0.957 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782614501 585822145 /nfs/dbraw/zinc/82/21/45/585822145.db2.gz CYWFXQYQPDRMGD-GXSJLCMTSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782614501 585822146 /nfs/dbraw/zinc/82/21/46/585822146.db2.gz CYWFXQYQPDRMGD-GXSJLCMTSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782614502 585822148 /nfs/dbraw/zinc/82/21/48/585822148.db2.gz CYWFXQYQPDRMGD-KOLCDFICSA-N 1 2 208.261 0.797 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782614502 585822149 /nfs/dbraw/zinc/82/21/49/585822149.db2.gz CYWFXQYQPDRMGD-KOLCDFICSA-N 1 2 208.261 0.797 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631917 585823269 /nfs/dbraw/zinc/82/32/69/585823269.db2.gz IDFFNVQVSGUUDY-UMNHJUIQSA-N 1 2 227.304 0.642 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631917 585823270 /nfs/dbraw/zinc/82/32/70/585823270.db2.gz IDFFNVQVSGUUDY-UMNHJUIQSA-N 1 2 227.304 0.642 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000782803710 585824695 /nfs/dbraw/zinc/82/46/95/585824695.db2.gz UZPYLPMQJWGVNR-GXFFZTMASA-N 1 2 247.298 0.658 20 0 BCADLO COCC[N@H+](CN1CCCC1=O)[C@H]1CCOC1 ZINC000782962906 585826621 /nfs/dbraw/zinc/82/66/21/585826621.db2.gz PUQSCMDANZIENE-NSHDSACASA-N 1 2 242.319 0.304 20 0 BCADLO COCC[N@@H+](CN1CCCC1=O)[C@H]1CCOC1 ZINC000782962906 585826622 /nfs/dbraw/zinc/82/66/22/585826622.db2.gz PUQSCMDANZIENE-NSHDSACASA-N 1 2 242.319 0.304 20 0 BCADLO CON(C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783976072 585846444 /nfs/dbraw/zinc/84/64/44/585846444.db2.gz TYFHKUAOSNGRPP-SECBINFHSA-N 1 2 238.291 0.187 20 0 BCADLO C[C@@H]1C[C@H](C(=O)OCC[NH+]2CCOCC2)CO1 ZINC000784276337 585853281 /nfs/dbraw/zinc/85/32/81/585853281.db2.gz HWCIDFCRJVRNBO-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[NH+](C)CC1 ZINC000784274378 585854076 /nfs/dbraw/zinc/85/40/76/585854076.db2.gz IZBWBZVSSXVKIP-SECBINFHSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)CO1 ZINC000784278754 585854118 /nfs/dbraw/zinc/85/41/18/585854118.db2.gz UQMBKUBSNDTEFU-ZJUUUORDSA-N 1 2 224.260 0.851 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)OCCn2cc[nH+]c2)CO1 ZINC000784278744 585854182 /nfs/dbraw/zinc/85/41/82/585854182.db2.gz UQMBKUBSNDTEFU-NXEZZACHSA-N 1 2 224.260 0.851 20 0 BCADLO CC(C)[C@@H](F)C(=O)OCC[NH+]1CCOCC1 ZINC000784303805 585855324 /nfs/dbraw/zinc/85/53/24/585855324.db2.gz HNEBAEUFBBZZEI-SNVBAGLBSA-N 1 2 233.283 0.856 20 0 BCADLO COC[C@H]1C[N@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000784370485 585857600 /nfs/dbraw/zinc/85/76/00/585857600.db2.gz UPROCXYOEUKWNF-NXEZZACHSA-N 1 2 231.292 0.095 20 0 BCADLO COC[C@H]1C[N@@H+](CC2OCCO2)C[C@@H](C)O1 ZINC000784370485 585857601 /nfs/dbraw/zinc/85/76/01/585857601.db2.gz UPROCXYOEUKWNF-NXEZZACHSA-N 1 2 231.292 0.095 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784917414 585868442 /nfs/dbraw/zinc/86/84/42/585868442.db2.gz KAPKBDBOJGZBMU-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784917410 585868497 /nfs/dbraw/zinc/86/84/97/585868497.db2.gz KAPKBDBOJGZBMU-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1=COCC1 ZINC000784919996 585868579 /nfs/dbraw/zinc/86/85/79/585868579.db2.gz DCJSBXXSSVYZLQ-JTQLQIEISA-N 1 2 241.287 0.555 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785420807 585873401 /nfs/dbraw/zinc/87/34/01/585873401.db2.gz DRHTYMYBYGNSCA-RKDXNWHRSA-N 1 2 225.292 0.996 20 0 BCADLO C[N@H+](Cn1cc2[nH]cccc-2c1=O)[C@@H]1CCOC1 ZINC000785505887 585874829 /nfs/dbraw/zinc/87/48/29/585874829.db2.gz MPVHEUSGIVRDRE-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO C[N@@H+](Cn1cc2[nH]cccc-2c1=O)[C@@H]1CCOC1 ZINC000785505887 585874830 /nfs/dbraw/zinc/87/48/30/585874830.db2.gz MPVHEUSGIVRDRE-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000785826170 585881509 /nfs/dbraw/zinc/88/15/09/585881509.db2.gz REYDMDIRYNMOPG-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000785826170 585881510 /nfs/dbraw/zinc/88/15/10/585881510.db2.gz REYDMDIRYNMOPG-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000785980094 585884569 /nfs/dbraw/zinc/88/45/69/585884569.db2.gz WPUTXVRVMIUJHL-JTQLQIEISA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000785980094 585884570 /nfs/dbraw/zinc/88/45/70/585884570.db2.gz WPUTXVRVMIUJHL-JTQLQIEISA-N 1 2 244.316 0.533 20 0 BCADLO COCC[N@H+](CCF)Cc1ccnn1C ZINC000786231431 585888938 /nfs/dbraw/zinc/88/89/38/585888938.db2.gz UHDAWEUVALXHTP-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@@H+](CCF)Cc1ccnn1C ZINC000786231431 585888939 /nfs/dbraw/zinc/88/89/39/585888939.db2.gz UHDAWEUVALXHTP-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO Cn1ncc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000786502144 585892789 /nfs/dbraw/zinc/89/27/89/585892789.db2.gz IGWOVMKVFQYQRS-VIFPVBQESA-N 1 2 246.274 0.516 20 0 BCADLO C[C@@H](O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786822114 585897680 /nfs/dbraw/zinc/89/76/80/585897680.db2.gz ZXWRJHSEHITOOX-NXEZZACHSA-N 1 2 239.319 0.795 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000786956438 585899296 /nfs/dbraw/zinc/89/92/96/585899296.db2.gz DVDSXNFXFUNSJG-SECBINFHSA-N 1 2 235.287 0.303 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000787205630 585903295 /nfs/dbraw/zinc/90/32/95/585903295.db2.gz NXJXEJBRNPYKJM-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO Cc1nc(F)ccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000787205630 585903296 /nfs/dbraw/zinc/90/32/96/585903296.db2.gz NXJXEJBRNPYKJM-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO O[C@@H]1C[N@H+](CCC2OCCO2)CC(F)(F)C1 ZINC000787360686 585907851 /nfs/dbraw/zinc/90/78/51/585907851.db2.gz LQCUXSZQSVODPR-QMMMGPOBSA-N 1 2 237.246 0.451 20 0 BCADLO O[C@@H]1C[N@@H+](CCC2OCCO2)CC(F)(F)C1 ZINC000787360686 585907852 /nfs/dbraw/zinc/90/78/52/585907852.db2.gz LQCUXSZQSVODPR-QMMMGPOBSA-N 1 2 237.246 0.451 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C(F)F)CC2 ZINC000787514273 585910919 /nfs/dbraw/zinc/91/09/19/585910919.db2.gz PQUZDCRGZARGIT-UHFFFAOYSA-N 1 2 215.203 0.799 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH+]2CCOCC2)C1(F)F ZINC000787770405 585915730 /nfs/dbraw/zinc/91/57/30/585915730.db2.gz PZIRVQVEQGFDEU-HTQZYQBOSA-N 1 2 235.230 0.373 20 0 BCADLO COC(C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)OC ZINC000787993113 585918365 /nfs/dbraw/zinc/91/83/65/585918365.db2.gz XHBXGYBRVOPBGF-SNVBAGLBSA-N 1 2 243.303 0.285 20 0 BCADLO COC(C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)OC ZINC000787993113 585918366 /nfs/dbraw/zinc/91/83/66/585918366.db2.gz XHBXGYBRVOPBGF-SNVBAGLBSA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H]1CCOC1=O)C1CC1 ZINC000788466970 585924895 /nfs/dbraw/zinc/92/48/95/585924895.db2.gz XXFMBMOCAUMNIW-VHSXEESVSA-N 1 2 241.287 0.481 20 0 BCADLO NC(=[NH+]OCc1ncccn1)[C@H]1CCCO1 ZINC000789606161 585946009 /nfs/dbraw/zinc/94/60/09/585946009.db2.gz HKSBPIMDUWJHJW-MRVPVSSYSA-N 1 2 222.248 0.654 20 0 BCADLO NC(=[NH+]OC[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000789607898 585946231 /nfs/dbraw/zinc/94/62/31/585946231.db2.gz JJQWJJHTWQSKDT-IUCAKERBSA-N 1 2 214.265 0.700 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789608888 585946245 /nfs/dbraw/zinc/94/62/45/585946245.db2.gz FZAODZKYJZUQRR-HTQZYQBOSA-N 1 2 202.254 0.699 20 0 BCADLO NC(=[NH+]OCC(=O)N1CCCC1)[C@@H]1CCCO1 ZINC000789608691 585946333 /nfs/dbraw/zinc/94/63/33/585946333.db2.gz LBQRGXYQBYPXRD-VIFPVBQESA-N 1 2 241.291 0.286 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789608889 585946400 /nfs/dbraw/zinc/94/64/00/585946400.db2.gz FZAODZKYJZUQRR-JGVFFNPUSA-N 1 2 202.254 0.699 20 0 BCADLO Cn1cc(CCO[NH+]=C(N)[C@H]2CCCO2)cn1 ZINC000789610449 585946671 /nfs/dbraw/zinc/94/66/71/585946671.db2.gz OSQNKVWFPNJFRG-SNVBAGLBSA-N 1 2 238.291 0.640 20 0 BCADLO CN1CCC[C@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000789625998 585947342 /nfs/dbraw/zinc/94/73/42/585947342.db2.gz BODDERPXEZDGPB-IUCAKERBSA-N 1 2 241.291 0.285 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)C[C@@H](C)OC)C1 ZINC000789775132 585949746 /nfs/dbraw/zinc/94/97/46/585949746.db2.gz QIEMBMUCRFGKME-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)COCC)C1 ZINC000789775907 585949803 /nfs/dbraw/zinc/94/98/03/585949803.db2.gz VEWBWJJJENIRAS-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO CCc1nnc([C@@H](C)NCc2cn(C)c[nH+]2)[nH]1 ZINC000808401265 585952111 /nfs/dbraw/zinc/95/21/11/585952111.db2.gz DLKLNWALTKKOKG-MRVPVSSYSA-N 1 2 234.307 0.951 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NOCc1cccnc1 ZINC000789995103 585955788 /nfs/dbraw/zinc/95/57/88/585955788.db2.gz URTPBQCOERTZFZ-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NOCc1cccnc1 ZINC000789995103 585955789 /nfs/dbraw/zinc/95/57/89/585955789.db2.gz URTPBQCOERTZFZ-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000790013042 585956327 /nfs/dbraw/zinc/95/63/27/585956327.db2.gz UMKVHRNYPXZUND-RKDXNWHRSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000790013042 585956328 /nfs/dbraw/zinc/95/63/28/585956328.db2.gz UMKVHRNYPXZUND-RKDXNWHRSA-N 1 2 237.307 0.278 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)F ZINC000790131540 585958600 /nfs/dbraw/zinc/95/86/00/585958600.db2.gz JBXNCVCPFKRJOG-SNVBAGLBSA-N 1 2 246.326 0.914 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@@H](C2CC2)O1 ZINC000791552750 585983701 /nfs/dbraw/zinc/98/37/01/585983701.db2.gz KETJWOSPIFUHHV-KOLCDFICSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@@H](C2CC2)O1 ZINC000791552750 585983702 /nfs/dbraw/zinc/98/37/02/585983702.db2.gz KETJWOSPIFUHHV-KOLCDFICSA-N 1 2 227.304 0.859 20 0 BCADLO Cc1noc(N)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791557357 585983756 /nfs/dbraw/zinc/98/37/56/585983756.db2.gz YRQCHAXAVSUBSA-UHFFFAOYSA-N 1 2 248.242 0.899 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000791742385 585987094 /nfs/dbraw/zinc/98/70/94/585987094.db2.gz AFCFPMACSZWPPD-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO Nc1cc(COC(=O)c2ccncc2N)cc[nH+]1 ZINC000792087485 585995648 /nfs/dbraw/zinc/99/56/48/585995648.db2.gz CYYGYAMNMSWILP-UHFFFAOYSA-N 1 2 244.254 0.998 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCOC[C@H]2CCO)c1 ZINC000792269041 585998808 /nfs/dbraw/zinc/99/88/08/585998808.db2.gz SMHFPHHRZDRIJQ-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccnc(C[N@H+]2CCOC[C@H]2CCO)c1 ZINC000792269041 585998809 /nfs/dbraw/zinc/99/88/09/585998809.db2.gz SMHFPHHRZDRIJQ-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO CCn1ccc(C[N@H+](C)CC(=O)N(C)OC)c1 ZINC000792315814 585999795 /nfs/dbraw/zinc/99/97/95/585999795.db2.gz QEPSLLJXJOLFFI-UHFFFAOYSA-N 1 2 239.319 0.960 20 0 BCADLO CCn1ccc(C[N@@H+](C)CC(=O)N(C)OC)c1 ZINC000792315814 585999796 /nfs/dbraw/zinc/99/97/96/585999796.db2.gz QEPSLLJXJOLFFI-UHFFFAOYSA-N 1 2 239.319 0.960 20 0 BCADLO CCC1(C(=O)OCCc2c[nH+]cn2C)COC1 ZINC000793254267 586014958 /nfs/dbraw/zinc/01/49/58/586014958.db2.gz CFNRLEAFKGLXIV-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1CC(=O)C1 ZINC000793251169 586015044 /nfs/dbraw/zinc/01/50/44/586015044.db2.gz RFOXBLLEGJNVNO-UHFFFAOYSA-N 1 2 222.244 0.485 20 0 BCADLO CO[C@@H](C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793259201 586015431 /nfs/dbraw/zinc/01/54/31/586015431.db2.gz RAPLQZOZZVWTGS-LLVKDONJSA-N 1 2 238.287 0.931 20 0 BCADLO O=C(CC1OCCCO1)OCCn1cc[nH+]c1 ZINC000793281305 586016073 /nfs/dbraw/zinc/01/60/73/586016073.db2.gz MZWYJLXKAWCWMF-UHFFFAOYSA-N 1 2 240.259 0.579 20 0 BCADLO O=C(C[C@H]1CCCOC1)NCc1[nH]cc[nH+]1 ZINC000793476745 586020863 /nfs/dbraw/zinc/02/08/63/586020863.db2.gz GSXNPFZIFAMYFM-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793609117 586024054 /nfs/dbraw/zinc/02/40/54/586024054.db2.gz AZHMDFPJUJUTOJ-NWDGAFQWSA-N 1 2 245.282 0.468 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793609117 586024055 /nfs/dbraw/zinc/02/40/55/586024055.db2.gz AZHMDFPJUJUTOJ-NWDGAFQWSA-N 1 2 245.282 0.468 20 0 BCADLO O=c1sccn1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000793625346 586024410 /nfs/dbraw/zinc/02/44/10/586024410.db2.gz ZNGUGMCLETXUGQ-SFYZADRCSA-N 1 2 212.274 0.340 20 0 BCADLO O=c1sccn1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000793625346 586024411 /nfs/dbraw/zinc/02/44/11/586024411.db2.gz ZNGUGMCLETXUGQ-SFYZADRCSA-N 1 2 212.274 0.340 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CO)C1CC1 ZINC000793768723 586026182 /nfs/dbraw/zinc/02/61/82/586026182.db2.gz WKAFKNJJOIRMRJ-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO C[C@H]1CCOCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000793774063 586026385 /nfs/dbraw/zinc/02/63/85/586026385.db2.gz YOSONSICAXURES-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CCOCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000793774063 586026386 /nfs/dbraw/zinc/02/63/86/586026386.db2.gz YOSONSICAXURES-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1cccnc1F ZINC000794008183 586030174 /nfs/dbraw/zinc/03/01/74/586030174.db2.gz ZJXOADHADIRCJR-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO NC(=[NH+]O[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000794520633 586041586 /nfs/dbraw/zinc/04/15/86/586041586.db2.gz JNFNARGTGUAQBU-HTQZYQBOSA-N 1 2 200.238 0.453 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521253 586041592 /nfs/dbraw/zinc/04/15/92/586041592.db2.gz RIVKQLNSQANKSU-VIFPVBQESA-N 1 2 243.307 0.579 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](Cn1cnnc1)CCO2 ZINC000794669758 586046239 /nfs/dbraw/zinc/04/62/39/586046239.db2.gz TYTAKZJCGGYWQZ-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cnnc1)CCO2 ZINC000794669758 586046240 /nfs/dbraw/zinc/04/62/40/586046240.db2.gz TYTAKZJCGGYWQZ-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO Cc1nsc(C(=O)NCc2ccc(N)[nH+]c2)n1 ZINC000794748707 586048089 /nfs/dbraw/zinc/04/80/89/586048089.db2.gz PXSKTUFTNXWGSD-UHFFFAOYSA-N 1 2 249.299 0.754 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nccn3C)C[C@@H]21 ZINC000794953808 586058069 /nfs/dbraw/zinc/05/80/69/586058069.db2.gz RBXUMNZLTZYKQL-JZYVYDRUSA-N 1 2 235.287 0.271 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nccn3C)C[C@@H]21 ZINC000794953808 586058071 /nfs/dbraw/zinc/05/80/71/586058071.db2.gz RBXUMNZLTZYKQL-JZYVYDRUSA-N 1 2 235.287 0.271 20 0 BCADLO c1nsnc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859305411 589029450 /nfs/dbraw/zinc/02/94/50/589029450.db2.gz GCECWVRBDVKKKL-UHFFFAOYSA-N 1 2 221.289 0.820 20 0 BCADLO Cc1nonc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859305737 589029526 /nfs/dbraw/zinc/02/95/26/589029526.db2.gz NEGXZQDZEWNRIK-UHFFFAOYSA-N 1 2 219.248 0.659 20 0 BCADLO COCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000795521137 586082578 /nfs/dbraw/zinc/08/25/78/586082578.db2.gz JDPFWNICIAAIDZ-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO COCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000795521137 586082580 /nfs/dbraw/zinc/08/25/80/586082580.db2.gz JDPFWNICIAAIDZ-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO COCC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000795629025 586089328 /nfs/dbraw/zinc/08/93/28/586089328.db2.gz DHDANTGACWSYNQ-NXEZZACHSA-N 1 2 243.303 0.618 20 0 BCADLO COC(C[N@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000795687408 586091015 /nfs/dbraw/zinc/09/10/15/586091015.db2.gz RQYUKSVPXMYNQF-QMMMGPOBSA-N 1 2 231.292 0.631 20 0 BCADLO COC(C[N@@H+](C)[C@H]1CC(C)(C)OC1=O)OC ZINC000795687408 586091016 /nfs/dbraw/zinc/09/10/16/586091016.db2.gz RQYUKSVPXMYNQF-QMMMGPOBSA-N 1 2 231.292 0.631 20 0 BCADLO CO[C@H](C)C[N@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000795750670 586091612 /nfs/dbraw/zinc/09/16/12/586091612.db2.gz MCIXFYPDVSAJTC-SECBINFHSA-N 1 2 242.319 0.696 20 0 BCADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000795750670 586091613 /nfs/dbraw/zinc/09/16/13/586091613.db2.gz MCIXFYPDVSAJTC-SECBINFHSA-N 1 2 242.319 0.696 20 0 BCADLO CO[C@@H](C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000795830174 586092785 /nfs/dbraw/zinc/09/27/85/586092785.db2.gz IUKOBPXBQGKZKI-LLVKDONJSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)n1cc(C(=O)OCCn2cc[nH+]c2)nn1 ZINC000796017385 586096348 /nfs/dbraw/zinc/09/63/48/586096348.db2.gz NKPRTRUCSRQZNJ-UHFFFAOYSA-N 1 2 249.274 0.913 20 0 BCADLO FCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796080555 586097404 /nfs/dbraw/zinc/09/74/04/586097404.db2.gz ORHMIKYBSRINFB-JTQLQIEISA-N 1 2 203.257 0.837 20 0 BCADLO FCC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796080555 586097405 /nfs/dbraw/zinc/09/74/05/586097405.db2.gz ORHMIKYBSRINFB-JTQLQIEISA-N 1 2 203.257 0.837 20 0 BCADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCF)C1 ZINC000796130234 586097791 /nfs/dbraw/zinc/09/77/91/586097791.db2.gz XODGAEBLFVWXOW-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCF)C1 ZINC000796130234 586097792 /nfs/dbraw/zinc/09/77/92/586097792.db2.gz XODGAEBLFVWXOW-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796339896 586101158 /nfs/dbraw/zinc/10/11/58/586101158.db2.gz AOVKFPGPUGSRDA-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796339896 586101159 /nfs/dbraw/zinc/10/11/59/586101159.db2.gz AOVKFPGPUGSRDA-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO c1nnc(C2CC[NH+](Cc3c[nH]cn3)CC2)[nH]1 ZINC000796444242 586103574 /nfs/dbraw/zinc/10/35/74/586103574.db2.gz XSACNNPLBSPLGE-UHFFFAOYSA-N 1 2 232.291 0.907 20 0 BCADLO c1ncc(C[NH+]2CCC(c3nnc[nH]3)CC2)[nH]1 ZINC000796444242 586103575 /nfs/dbraw/zinc/10/35/75/586103575.db2.gz XSACNNPLBSPLGE-UHFFFAOYSA-N 1 2 232.291 0.907 20 0 BCADLO CCC(=O)CC[N@H+](C)[C@H](C)C(=O)OC ZINC000796491996 586105121 /nfs/dbraw/zinc/10/51/21/586105121.db2.gz MMRLIJHIWNEUJK-MRVPVSSYSA-N 1 2 201.266 0.849 20 0 BCADLO CCC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC ZINC000796491996 586105122 /nfs/dbraw/zinc/10/51/22/586105122.db2.gz MMRLIJHIWNEUJK-MRVPVSSYSA-N 1 2 201.266 0.849 20 0 BCADLO CON(C)C(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796537791 586106189 /nfs/dbraw/zinc/10/61/89/586106189.db2.gz DIGYZKGCWZJIOD-UHFFFAOYSA-N 1 2 222.235 0.737 20 0 BCADLO Cc1nonc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000796580768 586107573 /nfs/dbraw/zinc/10/75/73/586107573.db2.gz SIKWPXFIBXHLGL-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1nonc1C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000796580768 586107574 /nfs/dbraw/zinc/10/75/74/586107574.db2.gz SIKWPXFIBXHLGL-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO COC(=O)c1ncn(C[N@@H+]2CCC=C(C)C2)n1 ZINC000797822203 586132169 /nfs/dbraw/zinc/13/21/69/586132169.db2.gz LZXBGPSDHOUTTJ-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO COC(=O)c1ncn(C[N@H+]2CCC=C(C)C2)n1 ZINC000797822203 586132170 /nfs/dbraw/zinc/13/21/70/586132170.db2.gz LZXBGPSDHOUTTJ-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H](C)O1 ZINC000799121593 586158939 /nfs/dbraw/zinc/15/89/39/586158939.db2.gz APBRGWBYBIUNJN-IVZWLZJFSA-N 1 2 240.303 0.291 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H](C)O1 ZINC000799121593 586158940 /nfs/dbraw/zinc/15/89/40/586158940.db2.gz APBRGWBYBIUNJN-IVZWLZJFSA-N 1 2 240.303 0.291 20 0 BCADLO O=C1CC[C@H]([N@@H+]2CCOC3(CCC3)C2)C(=O)N1 ZINC000799150574 586161990 /nfs/dbraw/zinc/16/19/90/586161990.db2.gz WOCDIWCULCLJMX-VIFPVBQESA-N 1 2 238.287 0.047 20 0 BCADLO O=C1CC[C@H]([N@H+]2CCOC3(CCC3)C2)C(=O)N1 ZINC000799150574 586161992 /nfs/dbraw/zinc/16/19/92/586161992.db2.gz WOCDIWCULCLJMX-VIFPVBQESA-N 1 2 238.287 0.047 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799166970 586163721 /nfs/dbraw/zinc/16/37/21/586163721.db2.gz LQXGFLROJBJWJN-CABZTGNLSA-N 1 2 240.303 0.293 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799166970 586163722 /nfs/dbraw/zinc/16/37/22/586163722.db2.gz LQXGFLROJBJWJN-CABZTGNLSA-N 1 2 240.303 0.293 20 0 BCADLO CC[N@H+](CCc1ccccn1)Cc1nnn(C)n1 ZINC000799307198 586170316 /nfs/dbraw/zinc/17/03/16/586170316.db2.gz HFWFVDUPDZCPCE-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO CC[N@@H+](CCc1ccccn1)Cc1nnn(C)n1 ZINC000799307198 586170319 /nfs/dbraw/zinc/17/03/19/586170319.db2.gz HFWFVDUPDZCPCE-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000799324799 586171630 /nfs/dbraw/zinc/17/16/30/586171630.db2.gz MAFKEGCQJGIWIO-SNVBAGLBSA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000799324799 586171631 /nfs/dbraw/zinc/17/16/31/586171631.db2.gz MAFKEGCQJGIWIO-SNVBAGLBSA-N 1 2 244.302 0.595 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000859336005 589032278 /nfs/dbraw/zinc/03/22/78/589032278.db2.gz DWNRVMQMFXFGBH-SNVBAGLBSA-N 1 2 249.314 0.611 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@H+](CCF)CC1 ZINC000800459080 586220644 /nfs/dbraw/zinc/22/06/44/586220644.db2.gz FHPMWIMEQJGCHG-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000800459080 586220645 /nfs/dbraw/zinc/22/06/45/586220645.db2.gz FHPMWIMEQJGCHG-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CCC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000800479802 586222259 /nfs/dbraw/zinc/22/22/59/586222259.db2.gz MBZQXHYSIFKSRE-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000800479802 586222261 /nfs/dbraw/zinc/22/22/61/586222261.db2.gz MBZQXHYSIFKSRE-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1c[nH]c(=S)[nH]1 ZINC000800691933 586227293 /nfs/dbraw/zinc/22/72/93/586227293.db2.gz JBFMGFAGDRJWQZ-UHFFFAOYSA-N 1 2 223.261 0.352 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1c[nH]c(=S)[nH]1 ZINC000800691933 586227295 /nfs/dbraw/zinc/22/72/95/586227295.db2.gz JBFMGFAGDRJWQZ-UHFFFAOYSA-N 1 2 223.261 0.352 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000801187348 586247197 /nfs/dbraw/zinc/24/71/97/586247197.db2.gz ISJYZUGFVHLYRC-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CNC(=O)O1 ZINC000801269810 586250777 /nfs/dbraw/zinc/25/07/77/586250777.db2.gz LSKPOWMFQBYRMP-IUCAKERBSA-N 1 2 242.275 0.122 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CNC(=O)O1 ZINC000801269810 586250779 /nfs/dbraw/zinc/25/07/79/586250779.db2.gz LSKPOWMFQBYRMP-IUCAKERBSA-N 1 2 242.275 0.122 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H](C(F)F)C1 ZINC000801424628 586256749 /nfs/dbraw/zinc/25/67/49/586256749.db2.gz VJUZXYWFKSCPCJ-QMMMGPOBSA-N 1 2 245.229 0.376 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1C[C@@H]1C(F)F ZINC000801481112 586258747 /nfs/dbraw/zinc/25/87/47/586258747.db2.gz BJMNFBYXUVRCTD-IUCAKERBSA-N 1 2 249.257 0.763 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559583 586262727 /nfs/dbraw/zinc/26/27/27/586262727.db2.gz CJXCQKUMHCGXOF-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559583 586262728 /nfs/dbraw/zinc/26/27/28/586262728.db2.gz CJXCQKUMHCGXOF-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801568522 586264356 /nfs/dbraw/zinc/26/43/56/586264356.db2.gz ZVHUFKBZVSLHIO-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801568522 586264358 /nfs/dbraw/zinc/26/43/58/586264358.db2.gz ZVHUFKBZVSLHIO-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1ccnn1C ZINC000801947162 586282571 /nfs/dbraw/zinc/28/25/71/586282571.db2.gz RZLIKPDDUIYQJI-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1ccnn1C ZINC000801947162 586282572 /nfs/dbraw/zinc/28/25/72/586282572.db2.gz RZLIKPDDUIYQJI-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCOCC12CC2 ZINC000801981937 586285278 /nfs/dbraw/zinc/28/52/78/586285278.db2.gz XLOGOECARYFJMU-UHFFFAOYSA-N 1 2 226.276 0.303 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCOCC12CC2 ZINC000801981937 586285280 /nfs/dbraw/zinc/28/52/80/586285280.db2.gz XLOGOECARYFJMU-UHFFFAOYSA-N 1 2 226.276 0.303 20 0 BCADLO CCCOCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802233434 586297231 /nfs/dbraw/zinc/29/72/31/586297231.db2.gz QAAAADCGEOTIIH-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO CCCOCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802233434 586297233 /nfs/dbraw/zinc/29/72/33/586297233.db2.gz QAAAADCGEOTIIH-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802233570 586297750 /nfs/dbraw/zinc/29/77/50/586297750.db2.gz ZIFSNDKQAPVPLX-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802233570 586297751 /nfs/dbraw/zinc/29/77/51/586297751.db2.gz ZIFSNDKQAPVPLX-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCCOC1 ZINC000802235706 586297799 /nfs/dbraw/zinc/29/77/99/586297799.db2.gz BAHLVZGRDARUHL-WDEREUQCSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCCOC1 ZINC000802235706 586297801 /nfs/dbraw/zinc/29/78/01/586297801.db2.gz BAHLVZGRDARUHL-WDEREUQCSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCOC1 ZINC000802235703 586298124 /nfs/dbraw/zinc/29/81/24/586298124.db2.gz BAHLVZGRDARUHL-GHMZBOCLSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCCOC1 ZINC000802235703 586298126 /nfs/dbraw/zinc/29/81/26/586298126.db2.gz BAHLVZGRDARUHL-GHMZBOCLSA-N 1 2 245.294 1.000 20 0 BCADLO Cn1nncc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240686 586298761 /nfs/dbraw/zinc/29/87/61/586298761.db2.gz DEFHGOXWTFHDJB-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1nncc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240686 586298762 /nfs/dbraw/zinc/29/87/62/586298762.db2.gz DEFHGOXWTFHDJB-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO CC[C@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000839960834 586301510 /nfs/dbraw/zinc/30/15/10/586301510.db2.gz SAUSSUMFKYHSOZ-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000839960834 586301513 /nfs/dbraw/zinc/30/15/13/586301513.db2.gz SAUSSUMFKYHSOZ-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO COCC[NH+](CCOC)CN1CC[C@@H](C)C1=O ZINC000839961842 586301909 /nfs/dbraw/zinc/30/19/09/586301909.db2.gz YKIWUJYUIYADPM-LLVKDONJSA-N 1 2 244.335 0.407 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000839962987 586303684 /nfs/dbraw/zinc/30/36/84/586303684.db2.gz GEPYQOKZRMSCEQ-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CCOC(C)(C)C2)C1=O ZINC000839962987 586303686 /nfs/dbraw/zinc/30/36/86/586303686.db2.gz GEPYQOKZRMSCEQ-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO C[C@@H]1CCN(C[NH+]2CCSCC2)C1=O ZINC000839966457 586305148 /nfs/dbraw/zinc/30/51/48/586305148.db2.gz WMAMUVWURIQALB-SECBINFHSA-N 1 2 214.334 0.861 20 0 BCADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)co1 ZINC000802658018 586308857 /nfs/dbraw/zinc/30/88/57/586308857.db2.gz ZFDBRMUENSGSNN-PHIMTYICSA-N 1 2 209.245 0.879 20 0 BCADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)co1 ZINC000802658018 586308859 /nfs/dbraw/zinc/30/88/59/586308859.db2.gz ZFDBRMUENSGSNN-PHIMTYICSA-N 1 2 209.245 0.879 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)COC(C)C)C1 ZINC000802775202 586313449 /nfs/dbraw/zinc/31/34/49/586313449.db2.gz LLDALAXSMYPINB-UHFFFAOYSA-N 1 2 245.319 0.675 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)COC(F)F ZINC000802777583 586314470 /nfs/dbraw/zinc/31/44/70/586314470.db2.gz NXIIHULIGCDLAM-UHFFFAOYSA-N 1 2 234.202 0.745 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)c1ccnn1C ZINC000802790082 586314773 /nfs/dbraw/zinc/31/47/73/586314773.db2.gz RSSIAUXSAWSSMJ-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO C[C@@H]1CCN(C[N@H+](C)CCn2cccn2)C1=O ZINC000839995526 586337852 /nfs/dbraw/zinc/33/78/52/586337852.db2.gz JWWBCWNMHUBLBH-LLVKDONJSA-N 1 2 236.319 0.641 20 0 BCADLO C[C@@H]1CCN(C[N@@H+](C)CCn2cccn2)C1=O ZINC000839995526 586337855 /nfs/dbraw/zinc/33/78/55/586337855.db2.gz JWWBCWNMHUBLBH-LLVKDONJSA-N 1 2 236.319 0.641 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CN1CC[C@@H](C)C1=O ZINC000839997557 586345661 /nfs/dbraw/zinc/34/56/61/586345661.db2.gz FDUPUALOROARLI-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CN1CC[C@@H](C)C1=O ZINC000839997557 586345664 /nfs/dbraw/zinc/34/56/64/586345664.db2.gz FDUPUALOROARLI-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO CCOCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495302 586361537 /nfs/dbraw/zinc/36/15/37/586361537.db2.gz NMXLLVSVHUJYJZ-LLVKDONJSA-N 1 2 245.319 0.721 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000804297083 586388728 /nfs/dbraw/zinc/38/87/28/586388728.db2.gz DMSVTFCXOGVOPI-GRYCIOLGSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000804297083 586388730 /nfs/dbraw/zinc/38/87/30/586388730.db2.gz DMSVTFCXOGVOPI-GRYCIOLGSA-N 1 2 238.331 0.718 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccnnc1 ZINC000804334002 586391859 /nfs/dbraw/zinc/39/18/59/586391859.db2.gz VOLWHCIHBOQDNA-SNVBAGLBSA-N 1 2 243.270 0.418 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H](C)[C@@H](C)C1=O ZINC000840083182 586423050 /nfs/dbraw/zinc/42/30/50/586423050.db2.gz JWTVJTMBSIWPKM-AXFHLTTASA-N 1 2 226.320 0.779 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H](C)[C@@H](C)C1=O ZINC000840083182 586423053 /nfs/dbraw/zinc/42/30/53/586423053.db2.gz JWTVJTMBSIWPKM-AXFHLTTASA-N 1 2 226.320 0.779 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H](C)[C@H](C)C1=O ZINC000840083185 586423312 /nfs/dbraw/zinc/42/33/12/586423312.db2.gz JWTVJTMBSIWPKM-VWYCJHECSA-N 1 2 226.320 0.779 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H](C)[C@H](C)C1=O ZINC000840083185 586423313 /nfs/dbraw/zinc/42/33/13/586423313.db2.gz JWTVJTMBSIWPKM-VWYCJHECSA-N 1 2 226.320 0.779 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)Cc1c[nH+]cn1C ZINC000807191829 586425021 /nfs/dbraw/zinc/42/50/21/586425021.db2.gz BHARRMCWNREMQS-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[N@H+](C/C=C\Cl)CC(=O)N1CCOCC1 ZINC000807271163 586430966 /nfs/dbraw/zinc/43/09/66/586430966.db2.gz NAINSAXKDKNFAK-IHWYPQMZSA-N 1 2 232.711 0.530 20 0 BCADLO C[N@@H+](C/C=C\Cl)CC(=O)N1CCOCC1 ZINC000807271163 586430968 /nfs/dbraw/zinc/43/09/68/586430968.db2.gz NAINSAXKDKNFAK-IHWYPQMZSA-N 1 2 232.711 0.530 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000859666202 589053450 /nfs/dbraw/zinc/05/34/50/589053450.db2.gz ZBTUVMVYRVWONN-VIFPVBQESA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000859666202 589053453 /nfs/dbraw/zinc/05/34/53/589053453.db2.gz ZBTUVMVYRVWONN-VIFPVBQESA-N 1 2 223.276 0.741 20 0 BCADLO CN(C)c1cc[nH+]c(C(=O)O[C@H]2CNOC2)c1 ZINC000808088055 586462966 /nfs/dbraw/zinc/46/29/66/586462966.db2.gz FRSHFONXGKQKKQ-VIFPVBQESA-N 1 2 237.259 0.208 20 0 BCADLO CC[N@H+](CC1CC1)Cn1nnn(C2CC2)c1=O ZINC000808158608 586465853 /nfs/dbraw/zinc/46/58/53/586465853.db2.gz ZSGQJSWDNQMGQC-UHFFFAOYSA-N 1 2 237.307 0.464 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1nnn(C2CC2)c1=O ZINC000808158608 586465854 /nfs/dbraw/zinc/46/58/54/586465854.db2.gz ZSGQJSWDNQMGQC-UHFFFAOYSA-N 1 2 237.307 0.464 20 0 BCADLO C[N@H+](CN1C(=O)CCC1(C)C)[C@H]1CCNC1=O ZINC000808174048 586466058 /nfs/dbraw/zinc/46/60/58/586466058.db2.gz HJSHNDUEZUWQJR-VIFPVBQESA-N 1 2 239.319 0.165 20 0 BCADLO C[N@@H+](CN1C(=O)CCC1(C)C)[C@H]1CCNC1=O ZINC000808174048 586466059 /nfs/dbraw/zinc/46/60/59/586466059.db2.gz HJSHNDUEZUWQJR-VIFPVBQESA-N 1 2 239.319 0.165 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000808396150 586470802 /nfs/dbraw/zinc/47/08/02/586470802.db2.gz VDFMVRHOJKGVOU-JTQLQIEISA-N 1 2 231.303 0.790 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cnc3ccccn23)n1 ZINC000808415967 586471476 /nfs/dbraw/zinc/47/14/76/586471476.db2.gz RJJBJYORZLRXNB-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CCOc1cccc(C[NH2+]Cc2cnn(C)n2)n1 ZINC000808418014 586471604 /nfs/dbraw/zinc/47/16/04/586471604.db2.gz ZEPYOMAJMVFKNT-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO c1ncn(CC[N@@H+]2Cc3ccncc3C2)n1 ZINC000809565100 586507232 /nfs/dbraw/zinc/50/72/32/586507232.db2.gz UFZJUUGHDDVMDN-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1ncn(CC[N@H+]2Cc3ccncc3C2)n1 ZINC000809565100 586507234 /nfs/dbraw/zinc/50/72/34/586507234.db2.gz UFZJUUGHDDVMDN-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1coc(C2CC2)n1 ZINC000809713469 586514338 /nfs/dbraw/zinc/51/43/38/586514338.db2.gz HVZSXTCZBVQONK-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1coc(C2CC2)n1 ZINC000809713469 586514340 /nfs/dbraw/zinc/51/43/40/586514340.db2.gz HVZSXTCZBVQONK-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCOC[C@H]1CCO ZINC000809767885 586518331 /nfs/dbraw/zinc/51/83/31/586518331.db2.gz WWGPHKMJRMPULO-GFCCVEGCSA-N 1 2 239.319 0.312 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCOC[C@H]1CCO ZINC000809767885 586518332 /nfs/dbraw/zinc/51/83/32/586518332.db2.gz WWGPHKMJRMPULO-GFCCVEGCSA-N 1 2 239.319 0.312 20 0 BCADLO Cn1ncc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000809936201 586523949 /nfs/dbraw/zinc/52/39/49/586523949.db2.gz SHBWZAJHLXWGDX-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000809936201 586523950 /nfs/dbraw/zinc/52/39/50/586523950.db2.gz SHBWZAJHLXWGDX-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)C[C@H]1CCCO1 ZINC000809937745 586524684 /nfs/dbraw/zinc/52/46/84/586524684.db2.gz GEBQNSDCIAPVCG-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)C[C@H]1CCCO1 ZINC000809937745 586524686 /nfs/dbraw/zinc/52/46/86/586524686.db2.gz GEBQNSDCIAPVCG-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809948057 586524837 /nfs/dbraw/zinc/52/48/37/586524837.db2.gz RTRYTIGBAWIPPR-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809948057 586524838 /nfs/dbraw/zinc/52/48/38/586524838.db2.gz RTRYTIGBAWIPPR-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000809941320 586525180 /nfs/dbraw/zinc/52/51/80/586525180.db2.gz USHZVOBKQCIHOH-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCCNC(=O)C2)o1 ZINC000809941320 586525181 /nfs/dbraw/zinc/52/51/81/586525181.db2.gz USHZVOBKQCIHOH-UHFFFAOYSA-N 1 2 223.276 0.613 20 0 BCADLO CCOCC[N@H+](CC)Cc1cnn(C)n1 ZINC000809944406 586525308 /nfs/dbraw/zinc/52/53/08/586525308.db2.gz NWYGLTPBBBLKTF-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCC[N@@H+](CC)Cc1cnn(C)n1 ZINC000809944406 586525310 /nfs/dbraw/zinc/52/53/10/586525310.db2.gz NWYGLTPBBBLKTF-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO Cn1ncc(C[NH+]2CCC(O)(C(F)F)CC2)n1 ZINC000809982029 586528531 /nfs/dbraw/zinc/52/85/31/586528531.db2.gz FRNCTPOKKWZKNZ-UHFFFAOYSA-N 1 2 246.261 0.407 20 0 BCADLO Cn1nncc1CO[NH+]=C(N)COC(C)(C)C ZINC000809998264 586528814 /nfs/dbraw/zinc/52/88/14/586528814.db2.gz PSAJDBFGWBUHMG-UHFFFAOYSA-N 1 2 241.295 0.629 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)no1 ZINC000809985345 586529035 /nfs/dbraw/zinc/52/90/35/586529035.db2.gz JZSDGMBGRPYUTR-NMLBEHRDSA-N 1 2 223.276 0.753 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)no1 ZINC000809985345 586529037 /nfs/dbraw/zinc/52/90/37/586529037.db2.gz JZSDGMBGRPYUTR-NMLBEHRDSA-N 1 2 223.276 0.753 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000810001830 586530501 /nfs/dbraw/zinc/53/05/01/586530501.db2.gz MSTYPUGSWWYGNB-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000810001830 586530502 /nfs/dbraw/zinc/53/05/02/586530502.db2.gz MSTYPUGSWWYGNB-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCO)C[C@@H](C)O ZINC000810039767 586532075 /nfs/dbraw/zinc/53/20/75/586532075.db2.gz HMLLLYYPHFQYGN-ZJUUUORDSA-N 1 2 233.308 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCO)C[C@@H](C)O ZINC000810039767 586532077 /nfs/dbraw/zinc/53/20/77/586532077.db2.gz HMLLLYYPHFQYGN-ZJUUUORDSA-N 1 2 233.308 0.003 20 0 BCADLO C[C@]1([NH2+]C[C@@H]2CC3(CC3)C(=O)O2)CCOC1=O ZINC000810096866 586534013 /nfs/dbraw/zinc/53/40/13/586534013.db2.gz YEYIEPCBMIUQEH-KWQFWETISA-N 1 2 239.271 0.377 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cc2n(n1)CCO2 ZINC000810602466 586542114 /nfs/dbraw/zinc/54/21/14/586542114.db2.gz QDTWHXYSNWAUMH-UHFFFAOYSA-N 1 2 248.242 0.366 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCCCC(N)=O ZINC000810602572 586542292 /nfs/dbraw/zinc/54/22/92/586542292.db2.gz SHNRQGVQWRAUOS-UHFFFAOYSA-N 1 2 239.275 0.509 20 0 BCADLO Cn1cnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000811224760 586557424 /nfs/dbraw/zinc/55/74/24/586557424.db2.gz DYJDMANHIITDRI-UHFFFAOYSA-N 1 2 220.232 0.474 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000811494771 586560098 /nfs/dbraw/zinc/56/00/98/586560098.db2.gz XJBNVHGAZFWDDF-GXSJLCMTSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000811494771 586560099 /nfs/dbraw/zinc/56/00/99/586560099.db2.gz XJBNVHGAZFWDDF-GXSJLCMTSA-N 1 2 207.277 0.532 20 0 BCADLO CCn1nccc1C(=O)NCc1c[nH+]cn1C ZINC000811588612 586561382 /nfs/dbraw/zinc/56/13/82/586561382.db2.gz QDFYNINGGQKBIE-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)nn1 ZINC000811588610 586561438 /nfs/dbraw/zinc/56/14/38/586561438.db2.gz QBTPCUVYXFQAAO-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CO[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000811589288 586561681 /nfs/dbraw/zinc/56/16/81/586561681.db2.gz QGTNVPDGXKGRFX-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000811589126 586561743 /nfs/dbraw/zinc/56/17/43/586561743.db2.gz LWBSBVGLQDWKSO-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC1(C)CCC1 ZINC000811589327 586561888 /nfs/dbraw/zinc/56/18/88/586561888.db2.gz SFTKUERAAXELOZ-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO S=C(NC1CC1)N1CCn2c[nH+]cc2C1 ZINC000811712379 586566216 /nfs/dbraw/zinc/56/62/16/586566216.db2.gz RPMBIDSDZPDKTG-UHFFFAOYSA-N 1 2 222.317 0.736 20 0 BCADLO O=C1SCCN1CN1CCn2c[nH+]cc2C1 ZINC000811787453 586566713 /nfs/dbraw/zinc/56/67/13/586566713.db2.gz KPQGJTFMDQOMEB-UHFFFAOYSA-N 1 2 238.316 0.825 20 0 BCADLO CSCCNC(=O)NCc1c[nH+]cn1C ZINC000811853645 586568111 /nfs/dbraw/zinc/56/81/11/586568111.db2.gz HUABTNPCDLHRRH-UHFFFAOYSA-N 1 2 228.321 0.582 20 0 BCADLO CCOCCONC(=O)NCc1c[nH+]cn1C ZINC000811904553 586568245 /nfs/dbraw/zinc/56/82/45/586568245.db2.gz GRXKWIJTLNQIEQ-UHFFFAOYSA-N 1 2 242.279 0.187 20 0 BCADLO CS/C=C\C(=O)NCc1c[nH+]cn1C ZINC000811925049 586568491 /nfs/dbraw/zinc/56/84/91/586568491.db2.gz ZDPAHZINXMYZPW-ARJAWSKDSA-N 1 2 211.290 0.913 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NOC1CCC1 ZINC000812318856 586573635 /nfs/dbraw/zinc/57/36/35/586573635.db2.gz JCUDOIJPOKAFGP-UHFFFAOYSA-N 1 2 224.264 0.666 20 0 BCADLO C[C@@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000812488913 586578139 /nfs/dbraw/zinc/57/81/39/586578139.db2.gz JBTMYNWOUXPKKJ-MRVPVSSYSA-N 1 2 208.265 0.724 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000812878907 586588302 /nfs/dbraw/zinc/58/83/02/586588302.db2.gz JWWOIYHYPFMPQY-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000812878907 586588303 /nfs/dbraw/zinc/58/83/03/586588303.db2.gz JWWOIYHYPFMPQY-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000812867483 586588429 /nfs/dbraw/zinc/58/84/29/586588429.db2.gz BAOTUQRKHKNVFX-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000812867483 586588430 /nfs/dbraw/zinc/58/84/30/586588430.db2.gz BAOTUQRKHKNVFX-MRVPVSSYSA-N 1 2 241.291 0.561 20 0 BCADLO NC(COC[C@H]1CCOC1)=[NH+]O[C@@H]1CCOC1 ZINC000842662417 586589073 /nfs/dbraw/zinc/58/90/73/586589073.db2.gz SIFIHTJSFIJXSY-VHSXEESVSA-N 1 2 244.291 0.327 20 0 BCADLO NC(COC[C@@H]1CCOC1)=[NH+]O[C@H]1CCOC1 ZINC000842662419 586589247 /nfs/dbraw/zinc/58/92/47/586589247.db2.gz SIFIHTJSFIJXSY-ZJUUUORDSA-N 1 2 244.291 0.327 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(c3cc(C)[nH+]cn3)C[C@@H]21 ZINC000813619405 586604552 /nfs/dbraw/zinc/60/45/52/586604552.db2.gz BJHFELWMEUNVGW-JZYVYDRUSA-N 1 2 233.271 0.640 20 0 BCADLO Cn1nncc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000840306899 586610582 /nfs/dbraw/zinc/61/05/82/586610582.db2.gz VEIODHHMYXFMSX-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO Cn1nncc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000840306899 586610583 /nfs/dbraw/zinc/61/05/83/586610583.db2.gz VEIODHHMYXFMSX-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CC[C@@H]1COC ZINC000815126888 586667850 /nfs/dbraw/zinc/66/78/50/586667850.db2.gz IGVHQQYJCUAGGV-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CC[C@@H]1COC ZINC000815126888 586667852 /nfs/dbraw/zinc/66/78/52/586667852.db2.gz IGVHQQYJCUAGGV-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCOC[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000859771327 589060313 /nfs/dbraw/zinc/06/03/13/589060313.db2.gz IIMUPJAPNNNYBD-SECBINFHSA-N 1 2 239.262 0.963 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000859771327 589060314 /nfs/dbraw/zinc/06/03/14/589060314.db2.gz IIMUPJAPNNNYBD-SECBINFHSA-N 1 2 239.262 0.963 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000859771335 589060339 /nfs/dbraw/zinc/06/03/39/589060339.db2.gz IIMUPJAPNNNYBD-VIFPVBQESA-N 1 2 239.262 0.963 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000859771335 589060341 /nfs/dbraw/zinc/06/03/41/589060341.db2.gz IIMUPJAPNNNYBD-VIFPVBQESA-N 1 2 239.262 0.963 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(C=O)c[nH]2)CC[N@H+]1C ZINC000815924190 586698096 /nfs/dbraw/zinc/69/80/96/586698096.db2.gz QORMLWYRFGJPNB-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(C=O)c[nH]2)CC[N@@H+]1C ZINC000815924190 586698098 /nfs/dbraw/zinc/69/80/98/586698098.db2.gz QORMLWYRFGJPNB-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1Cl ZINC000816586202 586742731 /nfs/dbraw/zinc/74/27/31/586742731.db2.gz CHEKHMSFUGQCTN-KOLCDFICSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1Cl ZINC000816586202 586742734 /nfs/dbraw/zinc/74/27/34/586742734.db2.gz CHEKHMSFUGQCTN-KOLCDFICSA-N 1 2 241.722 0.888 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1cnn(C)c1Cl ZINC000816611777 586744078 /nfs/dbraw/zinc/74/40/78/586744078.db2.gz XCKHYUPDTVIVRP-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816611777 586744080 /nfs/dbraw/zinc/74/40/80/586744080.db2.gz XCKHYUPDTVIVRP-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO CC(C)OCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816830187 586766996 /nfs/dbraw/zinc/76/69/96/586766996.db2.gz VKWLPAFBIHCWGB-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC1(C)CN(CC(=O)NC2=[NH+]CCS2)C1 ZINC000816843912 586767506 /nfs/dbraw/zinc/76/75/06/586767506.db2.gz HKVIMVKAFQJULV-UHFFFAOYSA-N 1 2 227.333 0.547 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816858559 586768357 /nfs/dbraw/zinc/76/83/57/586768357.db2.gz RZUSZYHJNNIJRE-BDAKNGLRSA-N 1 2 223.276 0.588 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816916143 586770793 /nfs/dbraw/zinc/77/07/93/586770793.db2.gz WZRXZNHFDMZYPK-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCSCC1 ZINC000816905182 586770825 /nfs/dbraw/zinc/77/08/25/586770825.db2.gz RAKSILSXMOCERZ-UHFFFAOYSA-N 1 2 225.317 0.918 20 0 BCADLO Cc1n[nH]cc1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816913601 586771245 /nfs/dbraw/zinc/77/12/45/586771245.db2.gz NMOQJFGAUAAHFQ-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CCCCC1 ZINC000816938265 586771861 /nfs/dbraw/zinc/77/18/61/586771861.db2.gz VQUCNJJAGVXHLH-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CC(C)(CO)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816946979 586772401 /nfs/dbraw/zinc/77/24/01/586772401.db2.gz BOOQMHHQXKAZKV-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC2(C1)CCOCC2 ZINC000816941388 586772407 /nfs/dbraw/zinc/77/24/07/586772407.db2.gz FIERWWOFTLNDNW-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816946368 586772607 /nfs/dbraw/zinc/77/26/07/586772607.db2.gz JXSBXJORQLHLME-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCn1cccc1 ZINC000816939571 586772897 /nfs/dbraw/zinc/77/28/97/586772897.db2.gz HYDYBXGKKNZKTP-UHFFFAOYSA-N 1 2 218.260 0.570 20 0 BCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816954761 586774505 /nfs/dbraw/zinc/77/45/05/586774505.db2.gz KGFJZTVAAKTOPC-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO CC[C@@H](C)CONC(=O)CC[NH+]1CCOCC1 ZINC000816977386 586777133 /nfs/dbraw/zinc/77/71/33/586777133.db2.gz YDCQASKSLKCQMI-LLVKDONJSA-N 1 2 244.335 0.803 20 0 BCADLO CCc1cc(N2CC3(C2)CN(C)C(=O)O3)nc[nH+]1 ZINC000817124124 586783064 /nfs/dbraw/zinc/78/30/64/586783064.db2.gz HMUSKYNEXHDTJY-UHFFFAOYSA-N 1 2 248.286 0.680 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000817329821 586795311 /nfs/dbraw/zinc/79/53/11/586795311.db2.gz DYVQCJIHPMLNSV-JTQLQIEISA-N 1 2 235.287 0.903 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000817414869 586802661 /nfs/dbraw/zinc/80/26/61/586802661.db2.gz PRLMKAOPCYYFSH-KOLCDFICSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000817414869 586802662 /nfs/dbraw/zinc/80/26/62/586802662.db2.gz PRLMKAOPCYYFSH-KOLCDFICSA-N 1 2 224.308 0.643 20 0 BCADLO FCC[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000859905221 589069443 /nfs/dbraw/zinc/06/94/43/589069443.db2.gz FNMOTSPSVUOUEG-VIFPVBQESA-N 1 2 219.256 0.420 20 0 BCADLO FCC[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000859905221 589069444 /nfs/dbraw/zinc/06/94/44/589069444.db2.gz FNMOTSPSVUOUEG-VIFPVBQESA-N 1 2 219.256 0.420 20 0 BCADLO FCC[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000859905220 589069563 /nfs/dbraw/zinc/06/95/63/589069563.db2.gz FNMOTSPSVUOUEG-SECBINFHSA-N 1 2 219.256 0.420 20 0 BCADLO FCC[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000859905220 589069565 /nfs/dbraw/zinc/06/95/65/589069565.db2.gz FNMOTSPSVUOUEG-SECBINFHSA-N 1 2 219.256 0.420 20 0 BCADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)[O-] ZINC000818114202 586875462 /nfs/dbraw/zinc/87/54/62/586875462.db2.gz YFFWXDJWSRGGOR-WPRPVWTQSA-N 1 2 212.293 0.533 20 0 BCADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)[O-] ZINC000818114202 586875464 /nfs/dbraw/zinc/87/54/64/586875464.db2.gz YFFWXDJWSRGGOR-WPRPVWTQSA-N 1 2 212.293 0.533 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000818222700 586879532 /nfs/dbraw/zinc/87/95/32/586879532.db2.gz INODGTHDPNSYDD-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO CCn1nc(C)c(CNCc2c[nH+]cn2C)n1 ZINC000818219752 586879444 /nfs/dbraw/zinc/87/94/44/586879444.db2.gz COMLVGKUAKKFSA-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2c[nH]nc2C)n1 ZINC000818220320 586880123 /nfs/dbraw/zinc/88/01/23/586880123.db2.gz FTZQLYRRLSRKDM-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO Cc1ccnn1CC(=O)OCCn1cc[nH+]c1 ZINC000860063361 589078816 /nfs/dbraw/zinc/07/88/16/589078816.db2.gz KIUBGLOJTUCIIH-UHFFFAOYSA-N 1 2 234.259 0.631 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000818977532 586919406 /nfs/dbraw/zinc/91/94/06/586919406.db2.gz HMYCCYQOPNHOEI-LLVKDONJSA-N 1 2 249.314 0.993 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000818977532 586919407 /nfs/dbraw/zinc/91/94/07/586919407.db2.gz HMYCCYQOPNHOEI-LLVKDONJSA-N 1 2 249.314 0.993 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819239476 586942015 /nfs/dbraw/zinc/94/20/15/586942015.db2.gz TUUJQJWUJLDRJN-LWTINBJPSA-N 1 2 235.287 0.772 20 0 BCADLO Cc1ccccc1[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000819271924 586945826 /nfs/dbraw/zinc/94/58/26/586945826.db2.gz XUVOOUJEWVIRME-NSHDSACASA-N 1 2 247.302 0.342 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2ccns2)C1=O ZINC000860058978 589076887 /nfs/dbraw/zinc/07/68/87/589076887.db2.gz QNXNGUFSTZLRBE-YUMQZZPRSA-N 1 2 241.316 0.956 20 0 BCADLO CCn1ccc(C[NH2+]CCS(C)(=O)=O)n1 ZINC000819371152 586958427 /nfs/dbraw/zinc/95/84/27/586958427.db2.gz YAVHULCQIDQLHD-UHFFFAOYSA-N 1 2 231.321 0.037 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000819688122 586985912 /nfs/dbraw/zinc/98/59/12/586985912.db2.gz GGSVFWFHDVZIGG-IHVVCDCBSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000819688122 586985914 /nfs/dbraw/zinc/98/59/14/586985914.db2.gz GGSVFWFHDVZIGG-IHVVCDCBSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000819688123 586986002 /nfs/dbraw/zinc/98/60/02/586986002.db2.gz GGSVFWFHDVZIGG-MUBLQREKSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000819688123 586986003 /nfs/dbraw/zinc/98/60/03/586986003.db2.gz GGSVFWFHDVZIGG-MUBLQREKSA-N 1 2 249.358 0.459 20 0 BCADLO COc1ccc2c(=O)[nH]n(C(=O)C[NH+](C)C)c2c1 ZINC000819951697 587005564 /nfs/dbraw/zinc/00/55/64/587005564.db2.gz SIWRVFYNFNJFFE-UHFFFAOYSA-N 1 2 249.270 0.952 20 0 BCADLO C[C@@H](NC(=O)c1cc(C=O)n(C)n1)c1[nH]cc[nH+]1 ZINC000820192080 587033492 /nfs/dbraw/zinc/03/34/92/587033492.db2.gz WNMGLNDLNIUYNO-SSDOTTSWSA-N 1 2 247.258 0.447 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@H]1OC ZINC000820414997 587047167 /nfs/dbraw/zinc/04/71/67/587047167.db2.gz FNYDTVSIZPVIIV-MWLCHTKSSA-N 1 2 236.271 0.741 20 0 BCADLO CCN(CC(C)=O)C(=O)CCn1cc[nH+]c1 ZINC000820453327 587049825 /nfs/dbraw/zinc/04/98/25/587049825.db2.gz DYQWJEDFINOYBA-UHFFFAOYSA-N 1 2 223.276 0.711 20 0 BCADLO CC(C)c1nc(NCCc2nc(N)n[nH]2)cc[nH+]1 ZINC000820580978 587056050 /nfs/dbraw/zinc/05/60/50/587056050.db2.gz JQPRIJOSGRHSTI-UHFFFAOYSA-N 1 2 247.306 0.955 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@@H+]2C)o1 ZINC000820657734 587063448 /nfs/dbraw/zinc/06/34/48/587063448.db2.gz HECLDQFAEAPPCV-JTQLQIEISA-N 1 2 224.308 0.641 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@H+]2C)o1 ZINC000820657734 587063450 /nfs/dbraw/zinc/06/34/50/587063450.db2.gz HECLDQFAEAPPCV-JTQLQIEISA-N 1 2 224.308 0.641 20 0 BCADLO COc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)on1 ZINC000820805294 587073447 /nfs/dbraw/zinc/07/34/47/587073447.db2.gz IAJBHEWQSSXKOU-MRVPVSSYSA-N 1 2 241.291 0.858 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]12 ZINC000860166479 589084799 /nfs/dbraw/zinc/08/47/99/589084799.db2.gz KTTLWJUFLHIHLB-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]12 ZINC000860166479 589084801 /nfs/dbraw/zinc/08/48/01/589084801.db2.gz KTTLWJUFLHIHLB-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCC(=O)N2)c(C)c[nH+]1 ZINC000821134373 587097299 /nfs/dbraw/zinc/09/72/99/587097299.db2.gz CQEBNCDBRVTBGS-ZDUSSCGKSA-N 1 2 247.298 0.728 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(O)CC ZINC000821240094 587103131 /nfs/dbraw/zinc/10/31/31/587103131.db2.gz ZSDKQIFOBFEMTQ-NSHDSACASA-N 1 2 225.292 0.680 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCC(=O)O2)C(C)(C)C1=O ZINC000821385378 587114680 /nfs/dbraw/zinc/11/46/80/587114680.db2.gz CAIZINUTRXFOKG-SECBINFHSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCC(=O)O2)C(C)(C)C1=O ZINC000821385378 587114681 /nfs/dbraw/zinc/11/46/81/587114681.db2.gz CAIZINUTRXFOKG-SECBINFHSA-N 1 2 240.303 0.245 20 0 BCADLO O=Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)co1 ZINC000821385400 587114964 /nfs/dbraw/zinc/11/49/64/587114964.db2.gz KVGGDNHHRQRDRS-SECBINFHSA-N 1 2 245.238 0.643 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821386113 587115581 /nfs/dbraw/zinc/11/55/81/587115581.db2.gz IJBQVGSCBIRHRY-SNVBAGLBSA-N 1 2 249.270 0.416 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821386113 587115582 /nfs/dbraw/zinc/11/55/82/587115582.db2.gz IJBQVGSCBIRHRY-SNVBAGLBSA-N 1 2 249.270 0.416 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CO)C2CC2)[nH+]1 ZINC000821497052 587122930 /nfs/dbraw/zinc/12/29/30/587122930.db2.gz IFCWOOJPSZRLRO-SNVBAGLBSA-N 1 2 237.303 0.402 20 0 BCADLO CCC1(CNC(=O)/C=C/c2cn(C)c[nH+]2)COC1 ZINC000821830605 587141227 /nfs/dbraw/zinc/14/12/27/587141227.db2.gz GVGLEEHEKHIACJ-SNAWJCMRSA-N 1 2 249.314 0.976 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCC2CSC2)c1 ZINC000821928881 587147339 /nfs/dbraw/zinc/14/73/39/587147339.db2.gz NIZAQVUQIJUJIM-NSCUHMNNSA-N 1 2 237.328 0.913 20 0 BCADLO CCCCC[C@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000822114770 587154102 /nfs/dbraw/zinc/15/41/02/587154102.db2.gz IOZKFNHVCCFQSZ-NSHDSACASA-N 1 2 228.336 0.702 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC000822329201 587162631 /nfs/dbraw/zinc/16/26/31/587162631.db2.gz WSCPISUOSJUXGT-XIJCSBCJSA-N 1 2 235.287 0.463 20 0 BCADLO COc1nn(C)cc1NC(=O)C[NH+]1CCCC1 ZINC000822357535 587164344 /nfs/dbraw/zinc/16/43/44/587164344.db2.gz GWDZEERHHXJUME-UHFFFAOYSA-N 1 2 238.291 0.463 20 0 BCADLO Cc1cc[nH+]cc1Cn1cnc(-c2nn[nH]n2)n1 ZINC000822379338 587164858 /nfs/dbraw/zinc/16/48/58/587164858.db2.gz NLUSHSDKVCWUJH-UHFFFAOYSA-N 1 2 242.246 0.210 20 0 BCADLO O=C(NCCCO)c1cccc2[nH+]ccn21 ZINC000822437504 587167863 /nfs/dbraw/zinc/16/78/63/587167863.db2.gz COFGAQDDKWKSHJ-UHFFFAOYSA-N 1 2 219.244 0.447 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000822499907 587172359 /nfs/dbraw/zinc/17/23/59/587172359.db2.gz AAGJKPMBNJELEF-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO Cc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000822767423 587185182 /nfs/dbraw/zinc/18/51/82/587185182.db2.gz IMEBHLYEFLTSQN-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCS(C)(=O)=O ZINC000823185783 587206253 /nfs/dbraw/zinc/20/62/53/587206253.db2.gz VCTBNTKDQIHIGA-NSHDSACASA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@H+]1CCS(C)(=O)=O ZINC000823185783 587206254 /nfs/dbraw/zinc/20/62/54/587206254.db2.gz VCTBNTKDQIHIGA-NSHDSACASA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@@H]1C[N@H+](C)CCN1CCS(C)(=O)=O ZINC000823185783 587206255 /nfs/dbraw/zinc/20/62/55/587206255.db2.gz VCTBNTKDQIHIGA-NSHDSACASA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000823185783 587206256 /nfs/dbraw/zinc/20/62/56/587206256.db2.gz VCTBNTKDQIHIGA-NSHDSACASA-N 1 2 248.392 0.303 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000823261618 587211923 /nfs/dbraw/zinc/21/19/23/587211923.db2.gz FXHHYRJWHZTFRH-SECBINFHSA-N 1 2 225.292 0.967 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000823261619 587212003 /nfs/dbraw/zinc/21/20/03/587212003.db2.gz FXHHYRJWHZTFRH-VIFPVBQESA-N 1 2 225.292 0.967 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCOC2)c1 ZINC000823288448 587214124 /nfs/dbraw/zinc/21/41/24/587214124.db2.gz JOMCOPVMTNURAO-VMZHVLLKSA-N 1 2 221.260 0.338 20 0 BCADLO CCn1nc(C)c(C[N@H+](CCO)C2CC2)n1 ZINC000823399777 587219413 /nfs/dbraw/zinc/21/94/13/587219413.db2.gz QZQJNJOCWVORIK-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CCO)C2CC2)n1 ZINC000823399777 587219414 /nfs/dbraw/zinc/21/94/14/587219414.db2.gz QZQJNJOCWVORIK-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCC[N@H+](CCO)Cc1nn(CC)nc1C ZINC000823387201 587219506 /nfs/dbraw/zinc/21/95/06/587219506.db2.gz VLEBRCQRORRNIR-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCC[N@@H+](CCO)Cc1nn(CC)nc1C ZINC000823387201 587219508 /nfs/dbraw/zinc/21/95/08/587219508.db2.gz VLEBRCQRORRNIR-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823633682 587233715 /nfs/dbraw/zinc/23/37/15/587233715.db2.gz BQQCLTNNUYBTKW-JOYOIKCWSA-N 1 2 237.303 0.475 20 0 BCADLO c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)no1 ZINC000823752380 587239474 /nfs/dbraw/zinc/23/94/74/587239474.db2.gz ZOTMWKYTOQZOBV-UHFFFAOYSA-N 1 2 246.230 0.738 20 0 BCADLO CCCCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000824257221 587263632 /nfs/dbraw/zinc/26/36/32/587263632.db2.gz UBBLSGDPAYOJSH-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO COCC1(CNC(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000824283702 587264680 /nfs/dbraw/zinc/26/46/80/587264680.db2.gz ZTEWROOJSAUUBF-ARJAWSKDSA-N 1 2 249.314 0.976 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCCNC(=O)C1 ZINC000824627867 587280210 /nfs/dbraw/zinc/28/02/10/587280210.db2.gz ZKDNWHQIOCDXCB-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+]1CCCNC(=O)C1 ZINC000824627867 587280212 /nfs/dbraw/zinc/28/02/12/587280212.db2.gz ZKDNWHQIOCDXCB-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO O=C1C[N@H+](Cc2cnn3c2CCC3)CCCN1 ZINC000824627194 587280256 /nfs/dbraw/zinc/28/02/56/587280256.db2.gz JOABANLWUDJUQN-UHFFFAOYSA-N 1 2 234.303 0.151 20 0 BCADLO O=C1C[N@@H+](Cc2cnn3c2CCC3)CCCN1 ZINC000824627194 587280257 /nfs/dbraw/zinc/28/02/57/587280257.db2.gz JOABANLWUDJUQN-UHFFFAOYSA-N 1 2 234.303 0.151 20 0 BCADLO CC[C@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824628537 587280400 /nfs/dbraw/zinc/28/04/00/587280400.db2.gz HLOCXEULVMHYHM-JTQLQIEISA-N 1 2 211.265 0.529 20 0 BCADLO CC[C@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824628537 587280401 /nfs/dbraw/zinc/28/04/01/587280401.db2.gz HLOCXEULVMHYHM-JTQLQIEISA-N 1 2 211.265 0.529 20 0 BCADLO CC(C)(C)OCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000824669574 587281798 /nfs/dbraw/zinc/28/17/98/587281798.db2.gz NGIVCAWMUAVFFQ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824802421 587287726 /nfs/dbraw/zinc/28/77/26/587287726.db2.gz KYTWCKNYADGLQX-OPRDCNLKSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824802421 587287727 /nfs/dbraw/zinc/28/77/27/587287727.db2.gz KYTWCKNYADGLQX-OPRDCNLKSA-N 1 2 229.324 0.572 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824903994 587292489 /nfs/dbraw/zinc/29/24/89/587292489.db2.gz GEJGMSUFJFAVBM-HTQZYQBOSA-N 1 2 217.232 0.480 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824903994 587292491 /nfs/dbraw/zinc/29/24/91/587292491.db2.gz GEJGMSUFJFAVBM-HTQZYQBOSA-N 1 2 217.232 0.480 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000825024558 587299065 /nfs/dbraw/zinc/29/90/65/587299065.db2.gz QUMYCDFITHCPAC-NXEZZACHSA-N 1 2 244.241 0.551 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000825024558 587299066 /nfs/dbraw/zinc/29/90/66/587299066.db2.gz QUMYCDFITHCPAC-NXEZZACHSA-N 1 2 244.241 0.551 20 0 BCADLO CO[C@@H](C)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825139914 587306694 /nfs/dbraw/zinc/30/66/94/587306694.db2.gz GJLQBCKENQNVFS-MOVJSRMASA-N 1 2 223.276 0.584 20 0 BCADLO CO[C@H](C)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825145964 587306915 /nfs/dbraw/zinc/30/69/15/587306915.db2.gz GJLQBCKENQNVFS-XNPJLODASA-N 1 2 223.276 0.584 20 0 BCADLO COCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825178596 587308112 /nfs/dbraw/zinc/30/81/12/587308112.db2.gz NLFGCTYBECWLDY-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825387984 587317873 /nfs/dbraw/zinc/31/78/73/587317873.db2.gz SQGCNIQUCSFRLN-SKNSLPIRSA-N 1 2 249.314 0.805 20 0 BCADLO CCn1nccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000825413306 587318706 /nfs/dbraw/zinc/31/87/06/587318706.db2.gz UMSLZYCLVOBJDP-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825512330 587322617 /nfs/dbraw/zinc/32/26/17/587322617.db2.gz BNBQHSCUSYBCQM-WPRPVWTQSA-N 1 2 223.276 0.605 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825514047 587322813 /nfs/dbraw/zinc/32/28/13/587322813.db2.gz XPPDBMPYELQLKE-NQMVMOMDSA-N 1 2 221.260 0.479 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@]1(C)C=CCC1 ZINC000825526210 587323604 /nfs/dbraw/zinc/32/36/04/587323604.db2.gz FDSDYLAZEWTTRH-ZWNOBZJWSA-N 1 2 249.314 0.926 20 0 BCADLO CCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000825544870 587324490 /nfs/dbraw/zinc/32/44/90/587324490.db2.gz OVPHVTREDCYTKF-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000825544917 587324692 /nfs/dbraw/zinc/32/46/92/587324692.db2.gz POEUCHTZAOIVGK-KWQFWETISA-N 1 2 225.292 0.758 20 0 BCADLO C[C@@H](O)C1(NC(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000825677165 587331155 /nfs/dbraw/zinc/33/11/55/587331155.db2.gz AYGSERBLSZPNIV-CDAZIORVSA-N 1 2 235.287 0.463 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825738328 587336017 /nfs/dbraw/zinc/33/60/17/587336017.db2.gz LUHVHPQHDTYGJG-MRVPVSSYSA-N 1 2 247.302 0.872 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CNC(=O)[O-])C1CC1 ZINC000826049625 587349397 /nfs/dbraw/zinc/34/93/97/587349397.db2.gz NPBZVNAZRQPIRQ-FBIMIBRVSA-N 1 2 241.335 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CNC(=O)[O-])C1CC1 ZINC000826049625 587349398 /nfs/dbraw/zinc/34/93/98/587349398.db2.gz NPBZVNAZRQPIRQ-FBIMIBRVSA-N 1 2 241.335 0.572 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCCC12CC2 ZINC000826142781 587351376 /nfs/dbraw/zinc/35/13/76/587351376.db2.gz KOLVBMDOCNYOIJ-VIFPVBQESA-N 1 2 212.293 0.976 20 0 BCADLO COCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000826160281 587351613 /nfs/dbraw/zinc/35/16/13/587351613.db2.gz MCJJWIHMNLGQJV-UHFFFAOYSA-N 1 2 234.263 0.628 20 0 BCADLO Cc1cc[nH+]c(N(C)C[C@@H](C)O)c1-c1nn[nH]n1 ZINC000826309616 587352260 /nfs/dbraw/zinc/35/22/60/587352260.db2.gz VSLOMGTYMSLYRO-MRVPVSSYSA-N 1 2 248.290 0.387 20 0 BCADLO Cc1cc[nH+]c(N2CC[C@@H](O)C2)c1-c1nn[nH]n1 ZINC000826312219 587352278 /nfs/dbraw/zinc/35/22/78/587352278.db2.gz YQFKDLXPJVDEHH-MRVPVSSYSA-N 1 2 246.274 0.141 20 0 BCADLO Cc1cc[nH+]c(N2CC(F)C2)c1-c1nn[nH]n1 ZINC000826309646 587352339 /nfs/dbraw/zinc/35/23/39/587352339.db2.gz WUCWSDXPTCZGIR-UHFFFAOYSA-N 1 2 234.238 0.728 20 0 BCADLO Cc1cc[nH+]c(NC[C@H](C)O)c1-c1nn[nH]n1 ZINC000826312511 587352505 /nfs/dbraw/zinc/35/25/05/587352505.db2.gz GJYRQTNYAFOHAZ-ZETCQYMHSA-N 1 2 234.263 0.363 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)cn2C)CC[N@@H+]1C ZINC000826543839 587352735 /nfs/dbraw/zinc/35/27/35/587352735.db2.gz ZJMUXYSSQROSEB-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)cn2C)CC[N@H+]1C ZINC000826543839 587352736 /nfs/dbraw/zinc/35/27/36/587352736.db2.gz ZJMUXYSSQROSEB-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc(C=O)n2C)CC[N@@H+]1C ZINC000826543508 587354669 /nfs/dbraw/zinc/35/46/69/587354669.db2.gz RPQLSNAFGGVCQL-JTQLQIEISA-N 1 2 249.314 0.614 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc(C=O)n2C)CC[N@H+]1C ZINC000826543508 587354670 /nfs/dbraw/zinc/35/46/70/587354670.db2.gz RPQLSNAFGGVCQL-JTQLQIEISA-N 1 2 249.314 0.614 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC(=O)N1 ZINC000826767079 587361591 /nfs/dbraw/zinc/36/15/91/587361591.db2.gz ZSIHTMXIIOZYMP-SECBINFHSA-N 1 2 233.271 0.419 20 0 BCADLO CCN(CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827150567 587371388 /nfs/dbraw/zinc/37/13/88/587371388.db2.gz IEBBDVHDLOLWQM-ZJUUUORDSA-N 1 2 229.324 0.526 20 0 BCADLO CCN(CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827150567 587371389 /nfs/dbraw/zinc/37/13/89/587371389.db2.gz IEBBDVHDLOLWQM-ZJUUUORDSA-N 1 2 229.324 0.526 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000827223636 587373474 /nfs/dbraw/zinc/37/34/74/587373474.db2.gz JIXTYFXOTASUJS-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO Cc1c[nH]c(CNC(=O)c2cc(C=O)n(C)n2)[nH+]1 ZINC000827582228 587389882 /nfs/dbraw/zinc/38/98/82/587389882.db2.gz CHVZDFBGRUAYNR-UHFFFAOYSA-N 1 2 247.258 0.194 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOCC1(C)C ZINC000827808607 587402087 /nfs/dbraw/zinc/40/20/87/587402087.db2.gz LZROXFSPCYZKGB-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOCC1(C)C ZINC000827808607 587402088 /nfs/dbraw/zinc/40/20/88/587402088.db2.gz LZROXFSPCYZKGB-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO COC(=O)C1([NH2+]CC[S@](C)=O)CCCCC1 ZINC000827851568 587405549 /nfs/dbraw/zinc/40/55/49/587405549.db2.gz FFVNMDDLLJIXIB-INIZCTEOSA-N 1 2 247.360 0.830 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CC[C@H](C)O)CCO1 ZINC000827877205 587407120 /nfs/dbraw/zinc/40/71/20/587407120.db2.gz DSLJKKNVFDKLJG-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CC[C@H](C)O)CCO1 ZINC000827877205 587407121 /nfs/dbraw/zinc/40/71/21/587407121.db2.gz DSLJKKNVFDKLJG-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@@]2(C)C=CCC2)C[C@@H]1CO ZINC000827983912 587414960 /nfs/dbraw/zinc/41/49/60/587414960.db2.gz XFTFESWBZSOKGP-YPMHNXCESA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@@]2(C)C=CCC2)C[C@@H]1CO ZINC000827983912 587414962 /nfs/dbraw/zinc/41/49/62/587414962.db2.gz XFTFESWBZSOKGP-YPMHNXCESA-N 1 2 238.331 0.478 20 0 BCADLO CCCONC(=O)N1CC[NH+](CCOC)CC1 ZINC000828231822 587426402 /nfs/dbraw/zinc/42/64/02/587426402.db2.gz BQSNSHXTEZFXEB-UHFFFAOYSA-N 1 2 245.323 0.302 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828288221 587431856 /nfs/dbraw/zinc/43/18/56/587431856.db2.gz DBEOUIIIGMTXKS-ZBEGNZNMSA-N 1 2 249.376 0.491 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828288221 587431857 /nfs/dbraw/zinc/43/18/57/587431857.db2.gz DBEOUIIIGMTXKS-ZBEGNZNMSA-N 1 2 249.376 0.491 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC[S@](C)=O ZINC000828316990 587434506 /nfs/dbraw/zinc/43/45/06/587434506.db2.gz QTHIKNMDQHHWDY-QFYYESIMSA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC[S@](C)=O ZINC000828316990 587434507 /nfs/dbraw/zinc/43/45/07/587434507.db2.gz QTHIKNMDQHHWDY-QFYYESIMSA-N 1 2 247.360 0.781 20 0 BCADLO COC[C@@H]1C[N@H+](CC[S@@](C)=O)C[C@@H](C)O1 ZINC000828389354 587439200 /nfs/dbraw/zinc/43/92/00/587439200.db2.gz IOMQSLNEWGKEMI-HFBDOXOYSA-N 1 2 235.349 0.101 20 0 BCADLO COC[C@@H]1C[N@@H+](CC[S@@](C)=O)C[C@@H](C)O1 ZINC000828389354 587439201 /nfs/dbraw/zinc/43/92/01/587439201.db2.gz IOMQSLNEWGKEMI-HFBDOXOYSA-N 1 2 235.349 0.101 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000828389246 587439553 /nfs/dbraw/zinc/43/95/53/587439553.db2.gz IDPXISUSQKOXAX-AWEZNQCLSA-N 1 2 230.358 0.880 20 0 BCADLO C[S@](=O)CC[N@H+]1CCc2ncsc2C1 ZINC000828389246 587439555 /nfs/dbraw/zinc/43/95/55/587439555.db2.gz IDPXISUSQKOXAX-AWEZNQCLSA-N 1 2 230.358 0.880 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000828389767 587439647 /nfs/dbraw/zinc/43/96/47/587439647.db2.gz NQMLZZFWLMBZCN-GXFFZTMASA-N 1 2 248.330 0.507 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000828389767 587439649 /nfs/dbraw/zinc/43/96/49/587439649.db2.gz NQMLZZFWLMBZCN-GXFFZTMASA-N 1 2 248.330 0.507 20 0 BCADLO C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)[O-])CC2)C1 ZINC000828473546 587444392 /nfs/dbraw/zinc/44/43/92/587444392.db2.gz WHZKSELYEQJNQW-NSHDSACASA-N 1 2 241.335 0.670 20 0 BCADLO C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)[O-])CC2)C1 ZINC000828473546 587444393 /nfs/dbraw/zinc/44/43/93/587444393.db2.gz WHZKSELYEQJNQW-NSHDSACASA-N 1 2 241.335 0.670 20 0 BCADLO C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)[O-])CC2)C1 ZINC000828473545 587444592 /nfs/dbraw/zinc/44/45/92/587444592.db2.gz WHZKSELYEQJNQW-LLVKDONJSA-N 1 2 241.335 0.670 20 0 BCADLO C[N@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)[O-])CC2)C1 ZINC000828473545 587444594 /nfs/dbraw/zinc/44/45/94/587444594.db2.gz WHZKSELYEQJNQW-LLVKDONJSA-N 1 2 241.335 0.670 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000828482573 587445193 /nfs/dbraw/zinc/44/51/93/587445193.db2.gz ZUCCPMOTMDQFSK-VHSXEESVSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000828482573 587445194 /nfs/dbraw/zinc/44/51/94/587445194.db2.gz ZUCCPMOTMDQFSK-VHSXEESVSA-N 1 2 227.308 0.423 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCO[C@H]21 ZINC000828547659 587450314 /nfs/dbraw/zinc/45/03/14/587450314.db2.gz PVEINTRCPGDRGP-XXILOJSOSA-N 1 2 249.314 0.882 20 0 BCADLO CC[C@H]1C[N@H+](CC)CCN1CC[S@@](C)=O ZINC000828602800 587452870 /nfs/dbraw/zinc/45/28/70/587452870.db2.gz GJLWONOXFHVOIM-XHDPSFHLSA-N 1 2 232.393 0.781 20 0 BCADLO CC[C@H]1C[N@@H+](CC)CCN1CC[S@@](C)=O ZINC000828602800 587452871 /nfs/dbraw/zinc/45/28/71/587452871.db2.gz GJLWONOXFHVOIM-XHDPSFHLSA-N 1 2 232.393 0.781 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828805931 587463101 /nfs/dbraw/zinc/46/31/01/587463101.db2.gz IYJDQECBPDCJPR-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000828833822 587465794 /nfs/dbraw/zinc/46/57/94/587465794.db2.gz KVVKGZNNHOVKLW-BBBLOLIVSA-N 1 2 217.309 0.935 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1ccnn1C ZINC000828914705 587471852 /nfs/dbraw/zinc/47/18/52/587471852.db2.gz LATIDYSMMXWQBM-SECBINFHSA-N 1 2 247.302 0.872 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)c1ccnn1C ZINC000828914705 587471854 /nfs/dbraw/zinc/47/18/54/587471854.db2.gz LATIDYSMMXWQBM-SECBINFHSA-N 1 2 247.302 0.872 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC[S@](C)=O ZINC000828992718 587478222 /nfs/dbraw/zinc/47/82/22/587478222.db2.gz XQOLREBKSXHKBX-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC[S@](C)=O ZINC000828992718 587478223 /nfs/dbraw/zinc/47/82/23/587478223.db2.gz XQOLREBKSXHKBX-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO Cc1nnn(NC(=O)/C=C\c2cn(C)c[nH+]2)c1C ZINC000829012822 587479451 /nfs/dbraw/zinc/47/94/51/587479451.db2.gz DTDMDKCTGDHKRH-PLNGDYQASA-N 1 2 246.274 0.412 20 0 BCADLO C[C@@H](O)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829071082 587482224 /nfs/dbraw/zinc/48/22/24/587482224.db2.gz TXNXIHWBQRVEAQ-MRVPVSSYSA-N 1 2 235.287 0.554 20 0 BCADLO COC(=O)[C@H](C)[N@H+](CC[S@](C)=O)C1CCC1 ZINC000829166195 587485743 /nfs/dbraw/zinc/48/57/43/587485743.db2.gz PSYWBHKHMODZPZ-FVMDXXJSSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](CC[S@](C)=O)C1CCC1 ZINC000829166195 587485745 /nfs/dbraw/zinc/48/57/45/587485745.db2.gz PSYWBHKHMODZPZ-FVMDXXJSSA-N 1 2 247.360 0.781 20 0 BCADLO CCC[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829279494 587491415 /nfs/dbraw/zinc/49/14/15/587491415.db2.gz KHHHQGXRDBAWFE-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3ncc[nH]3)cc2C1 ZINC000829398723 587495661 /nfs/dbraw/zinc/49/56/61/587495661.db2.gz IVKZXJDIWWBHCI-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3ncc[nH]3)cc2C1 ZINC000829398723 587495662 /nfs/dbraw/zinc/49/56/62/587495662.db2.gz IVKZXJDIWWBHCI-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2C[C@@]2(O)C1 ZINC000829405827 587496179 /nfs/dbraw/zinc/49/61/79/587496179.db2.gz ATRXIQUICUGNSN-NOZJJQNGSA-N 1 2 243.266 0.770 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C=O)c1 ZINC000829450135 587498069 /nfs/dbraw/zinc/49/80/69/587498069.db2.gz MXKLZAQFRWYUSG-SNVBAGLBSA-N 1 2 236.271 0.916 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C=O)c1 ZINC000829450135 587498070 /nfs/dbraw/zinc/49/80/70/587498070.db2.gz MXKLZAQFRWYUSG-SNVBAGLBSA-N 1 2 236.271 0.916 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C3=COCC3)cc2C1 ZINC000829451144 587498367 /nfs/dbraw/zinc/49/83/67/587498367.db2.gz DCWGHJYBWZREFB-UHFFFAOYSA-N 1 2 248.286 0.571 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C3=COCC3)cc2C1 ZINC000829451144 587498370 /nfs/dbraw/zinc/49/83/70/587498370.db2.gz DCWGHJYBWZREFB-UHFFFAOYSA-N 1 2 248.286 0.571 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000829505203 587501095 /nfs/dbraw/zinc/50/10/95/587501095.db2.gz HBZXDNUKJOSDKC-MRVPVSSYSA-N 1 2 249.257 0.906 20 0 BCADLO COC(=O)C1(C[N@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000829505203 587501097 /nfs/dbraw/zinc/50/10/97/587501097.db2.gz HBZXDNUKJOSDKC-MRVPVSSYSA-N 1 2 249.257 0.906 20 0 BCADLO CO[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000829846838 587523351 /nfs/dbraw/zinc/52/33/51/587523351.db2.gz XDKWLXJYYJWCAV-RKDXNWHRSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCS1 ZINC000829970361 587530616 /nfs/dbraw/zinc/53/06/16/587530616.db2.gz UORQANWQNNRCOP-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO CCOC(=O)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830174978 587540323 /nfs/dbraw/zinc/54/03/23/587540323.db2.gz RTYZYHYKJCIIHB-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000830212464 587541324 /nfs/dbraw/zinc/54/13/24/587541324.db2.gz JGNNUZJVOYUJGY-NWDGAFQWSA-N 1 2 249.314 0.814 20 0 BCADLO COC(C[N@H+](C1CC1)C1COC1)OC ZINC000830236264 587543087 /nfs/dbraw/zinc/54/30/87/587543087.db2.gz XRVFEESSAKLMFI-UHFFFAOYSA-N 1 2 201.266 0.469 20 0 BCADLO COC(C[N@@H+](C1CC1)C1COC1)OC ZINC000830236264 587543088 /nfs/dbraw/zinc/54/30/88/587543088.db2.gz XRVFEESSAKLMFI-UHFFFAOYSA-N 1 2 201.266 0.469 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@H](C)[NH+](C)C)n1 ZINC000830399431 587549714 /nfs/dbraw/zinc/54/97/14/587549714.db2.gz GLZCJLDIVOPOGB-LURJTMIESA-N 1 2 227.268 0.092 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(F)CC1 ZINC000830758722 587567494 /nfs/dbraw/zinc/56/74/94/587567494.db2.gz RPNHNRZNFFJBBD-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO CN(C[C@H]1CCC[C@H]1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000831193111 587590992 /nfs/dbraw/zinc/59/09/92/587590992.db2.gz CVVSMUULTGYYPU-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000831367094 587601589 /nfs/dbraw/zinc/60/15/89/587601589.db2.gz HAYQLUNWZKDGSY-BDAKNGLRSA-N 1 2 223.276 0.182 20 0 BCADLO COC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831503892 587614819 /nfs/dbraw/zinc/61/48/19/587614819.db2.gz KAQNYABNKXWMRH-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@@H]1C[N@H+](CCC(=O)C2CC2)CC(=O)N1 ZINC000831763370 587630868 /nfs/dbraw/zinc/63/08/68/587630868.db2.gz MDKDMDNARSAOIX-MRVPVSSYSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)CC(=O)N1 ZINC000831763370 587630869 /nfs/dbraw/zinc/63/08/69/587630869.db2.gz MDKDMDNARSAOIX-MRVPVSSYSA-N 1 2 210.277 0.176 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000831769864 587631467 /nfs/dbraw/zinc/63/14/67/587631467.db2.gz VYKDAYPAVTYENL-VIFPVBQESA-N 1 2 212.293 0.422 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000831769864 587631469 /nfs/dbraw/zinc/63/14/69/587631469.db2.gz VYKDAYPAVTYENL-VIFPVBQESA-N 1 2 212.293 0.422 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCO1 ZINC000831961311 587639372 /nfs/dbraw/zinc/63/93/72/587639372.db2.gz RSXOZYBYFPWFGL-RKDXNWHRSA-N 1 2 221.260 0.688 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC(C)=NO1)CC2 ZINC000831973324 587641337 /nfs/dbraw/zinc/64/13/37/587641337.db2.gz ZZDCBSLWIXTCTJ-SNVBAGLBSA-N 1 2 248.286 0.699 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)CC(C)C ZINC000832021503 587643326 /nfs/dbraw/zinc/64/33/26/587643326.db2.gz ZQHLTQOCQVYWCB-UHFFFAOYSA-N 1 2 245.348 0.978 20 0 BCADLO O=C(NOCC(F)F)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000832186686 587649069 /nfs/dbraw/zinc/64/90/69/587649069.db2.gz OMFREPYGACFGOP-LURJTMIESA-N 1 2 245.229 0.828 20 0 BCADLO O=C(NOCC(F)F)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000832186686 587649070 /nfs/dbraw/zinc/64/90/70/587649070.db2.gz OMFREPYGACFGOP-LURJTMIESA-N 1 2 245.229 0.828 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000832216282 587650897 /nfs/dbraw/zinc/65/08/97/587650897.db2.gz ZQZQOPAWGIXVLJ-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000832216282 587650898 /nfs/dbraw/zinc/65/08/98/587650898.db2.gz ZQZQOPAWGIXVLJ-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO COC(=O)C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832480068 587662462 /nfs/dbraw/zinc/66/24/62/587662462.db2.gz HHHMQYPWXQJUTG-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000832551109 587665811 /nfs/dbraw/zinc/66/58/11/587665811.db2.gz YZEHYUSAIZRUIM-SECBINFHSA-N 1 2 217.288 0.692 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000832551109 587665812 /nfs/dbraw/zinc/66/58/12/587665812.db2.gz YZEHYUSAIZRUIM-SECBINFHSA-N 1 2 217.288 0.692 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1CCO ZINC000832571064 587666838 /nfs/dbraw/zinc/66/68/38/587666838.db2.gz SOBXZWAJSVTXSZ-UWVGGRQHSA-N 1 2 237.303 0.620 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cn1cc[nH+]c1 ZINC000832652387 587673681 /nfs/dbraw/zinc/67/36/81/587673681.db2.gz ZMFUFFLTOPCPNL-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC000832739246 587681363 /nfs/dbraw/zinc/68/13/63/587681363.db2.gz KBSPGHXOMNYUNI-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CO ZINC000832759095 587685521 /nfs/dbraw/zinc/68/55/21/587685521.db2.gz HFBCPXUURUMRHN-BDAKNGLRSA-N 1 2 223.276 0.182 20 0 BCADLO COC[C@@H](C)OC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000867081675 587695367 /nfs/dbraw/zinc/69/53/67/587695367.db2.gz OEEUMHYPLFZUDT-SECBINFHSA-N 1 2 239.275 0.911 20 0 BCADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000833406116 587713489 /nfs/dbraw/zinc/71/34/89/587713489.db2.gz AZFDROSQVSXUHU-IUCAKERBSA-N 1 2 223.276 0.683 20 0 BCADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000833406116 587713490 /nfs/dbraw/zinc/71/34/90/587713490.db2.gz AZFDROSQVSXUHU-IUCAKERBSA-N 1 2 223.276 0.683 20 0 BCADLO C[NH+]1CCC([NH2+]Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833698593 587729124 /nfs/dbraw/zinc/72/91/24/587729124.db2.gz QPZWCKVLIVZHBO-UHFFFAOYSA-N 1 2 237.303 0.897 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C2CC2)C1 ZINC000867105378 587745765 /nfs/dbraw/zinc/74/57/65/587745765.db2.gz NFMTWEUUJCUBCC-ONGXEEELSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000834374116 587753555 /nfs/dbraw/zinc/75/35/55/587753555.db2.gz YHFWROSRZZHKCB-GRYCIOLGSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000834374117 587753636 /nfs/dbraw/zinc/75/36/36/587753636.db2.gz YHFWROSRZZHKCB-SDDRHHMPSA-N 1 2 249.314 0.957 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(OC)OC ZINC000834423587 587754864 /nfs/dbraw/zinc/75/48/64/587754864.db2.gz DUBRFZZRYHWTAX-QMMMGPOBSA-N 1 2 241.291 0.466 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCSC1 ZINC000834736219 587764869 /nfs/dbraw/zinc/76/48/69/587764869.db2.gz IWSHEEGEZJPZKS-QMMMGPOBSA-N 1 2 225.317 0.822 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000834739757 587765083 /nfs/dbraw/zinc/76/50/83/587765083.db2.gz KHSSQKAELPUQJU-QMMMGPOBSA-N 1 2 223.276 0.182 20 0 BCADLO CCc1noc(NC(=O)N2CC[NH+](C)CC2)n1 ZINC000836671869 587835854 /nfs/dbraw/zinc/83/58/54/587835854.db2.gz JETZBIAOSAPTSJ-UHFFFAOYSA-N 1 2 239.279 0.411 20 0 BCADLO CC(C)=CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864071 587840348 /nfs/dbraw/zinc/84/03/48/587840348.db2.gz IKAOMNNDHWZDMA-TXEJJXNPSA-N 1 2 238.331 0.932 20 0 BCADLO CC(C)=CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864071 587840349 /nfs/dbraw/zinc/84/03/49/587840349.db2.gz IKAOMNNDHWZDMA-TXEJJXNPSA-N 1 2 238.331 0.932 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccc(C=O)n2C)C1 ZINC000837541185 587880415 /nfs/dbraw/zinc/88/04/15/587880415.db2.gz GSLQEDCQVQGALJ-UHFFFAOYSA-N 1 2 249.314 0.660 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC000837542145 587880838 /nfs/dbraw/zinc/88/08/38/587880838.db2.gz OWQXLXGJDBFNJB-UHFFFAOYSA-N 1 2 206.236 0.850 20 0 BCADLO Cc1nonc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000837548499 587881450 /nfs/dbraw/zinc/88/14/50/587881450.db2.gz POALZVKZKTZCEV-UHFFFAOYSA-N 1 2 224.264 0.200 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CC2(F)F)CCO1 ZINC000837979413 587907522 /nfs/dbraw/zinc/90/75/22/587907522.db2.gz IGDZVMWQEHSOIE-DTWKUNHWSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CC2(F)F)CCO1 ZINC000837979413 587907524 /nfs/dbraw/zinc/90/75/24/587907524.db2.gz IGDZVMWQEHSOIE-DTWKUNHWSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1F ZINC000867253298 587947815 /nfs/dbraw/zinc/94/78/15/587947815.db2.gz AHVGKUBVYAKQHE-NQMVMOMDSA-N 1 2 241.266 0.650 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C(=O)N(C)C)C(C)C ZINC000842037224 587992195 /nfs/dbraw/zinc/99/21/95/587992195.db2.gz UOGMLZCZRMTYCK-IUCAKERBSA-N 1 2 245.323 0.633 20 0 BCADLO CCn1cc(CCO[NH+]=C(N)[C@H](C)OC)cn1 ZINC000842036240 587992230 /nfs/dbraw/zinc/99/22/30/587992230.db2.gz JNUQGUIZFOPBRQ-VIFPVBQESA-N 1 2 240.307 0.979 20 0 BCADLO COC[C@@H](C)OC(=O)N1CCn2c[nH+]cc2C1 ZINC000867283632 587992512 /nfs/dbraw/zinc/99/25/12/587992512.db2.gz ZRTYDVOUHDIQRX-SECBINFHSA-N 1 2 239.275 0.870 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cn1cccnc1=S ZINC000842631559 588047178 /nfs/dbraw/zinc/04/71/78/588047178.db2.gz OFAREWKELJEBJF-UHFFFAOYSA-N 1 2 240.332 0.638 20 0 BCADLO CC(=O)NCC[N@H+](C)Cn1cccnc1=S ZINC000842631559 588047180 /nfs/dbraw/zinc/04/71/80/588047180.db2.gz OFAREWKELJEBJF-UHFFFAOYSA-N 1 2 240.332 0.638 20 0 BCADLO NC(COC[C@H]1CCCO1)=[NH+]O[C@H]1CCOC1 ZINC000842657769 588050005 /nfs/dbraw/zinc/05/00/05/588050005.db2.gz UQIAJSXFJHWSSB-ZJUUUORDSA-N 1 2 244.291 0.469 20 0 BCADLO CCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842658594 588050316 /nfs/dbraw/zinc/05/03/16/588050316.db2.gz PTAWSRQFLMDVGN-VIFPVBQESA-N 1 2 216.281 0.948 20 0 BCADLO COCCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661338 588050513 /nfs/dbraw/zinc/05/05/13/588050513.db2.gz NKONQSKCJAOIGE-SNVBAGLBSA-N 1 2 246.307 0.574 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nccn1CC ZINC000842769461 588061410 /nfs/dbraw/zinc/06/14/10/588061410.db2.gz PMSRDTKDRVAVNB-UHFFFAOYSA-N 1 2 240.307 0.403 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cocn1 ZINC000842769167 588061445 /nfs/dbraw/zinc/06/14/45/588061445.db2.gz KNNXAGDUPGTUNH-UHFFFAOYSA-N 1 2 213.237 0.174 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCC(=O)C1 ZINC000842781604 588063061 /nfs/dbraw/zinc/06/30/61/588063061.db2.gz ZCMUWUHWTRRWLQ-KOLCDFICSA-N 1 2 243.278 0.943 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCC(=O)C1 ZINC000842781604 588063063 /nfs/dbraw/zinc/06/30/63/588063063.db2.gz ZCMUWUHWTRRWLQ-KOLCDFICSA-N 1 2 243.278 0.943 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCC(=O)C1 ZINC000842781606 588063226 /nfs/dbraw/zinc/06/32/26/588063226.db2.gz ZCMUWUHWTRRWLQ-ONGXEEELSA-N 1 2 243.278 0.943 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCC(=O)C1 ZINC000842781606 588063227 /nfs/dbraw/zinc/06/32/27/588063227.db2.gz ZCMUWUHWTRRWLQ-ONGXEEELSA-N 1 2 243.278 0.943 20 0 BCADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(C)=O ZINC000842965322 588073120 /nfs/dbraw/zinc/07/31/20/588073120.db2.gz NUNSJDIJZUMAFQ-MWLCHTKSSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(C)=O ZINC000842965322 588073121 /nfs/dbraw/zinc/07/31/21/588073121.db2.gz NUNSJDIJZUMAFQ-MWLCHTKSSA-N 1 2 231.292 0.285 20 0 BCADLO CC[NH2+]Cc1noc(Cc2cc(C)[nH]n2)n1 ZINC000843145219 588086677 /nfs/dbraw/zinc/08/66/77/588086677.db2.gz XNYBPVSRUCVCJD-UHFFFAOYSA-N 1 2 221.264 0.801 20 0 BCADLO CC[NH2+]Cc1noc(Cc2cc(C)n[nH]2)n1 ZINC000843145219 588086678 /nfs/dbraw/zinc/08/66/78/588086678.db2.gz XNYBPVSRUCVCJD-UHFFFAOYSA-N 1 2 221.264 0.801 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000843402333 588106131 /nfs/dbraw/zinc/10/61/31/588106131.db2.gz BVXYUGBWRSWFTF-JGVFFNPUSA-N 1 2 226.280 0.403 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2CSC[NH2+]2)nn1C ZINC000843502281 588116918 /nfs/dbraw/zinc/11/69/18/588116918.db2.gz YTHNPLMORXKSIX-QMMMGPOBSA-N 1 2 240.332 0.584 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(F)CC1 ZINC000843766832 588138839 /nfs/dbraw/zinc/13/88/39/588138839.db2.gz WHJVXKLZPHWULZ-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N1CC[NH+](C2CC2)CC1)C1(F)CC1 ZINC000843776096 588139368 /nfs/dbraw/zinc/13/93/68/588139368.db2.gz KBJUHHWUVSOODY-UHFFFAOYSA-N 1 2 212.268 0.795 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(F)CC1 ZINC000843883039 588147287 /nfs/dbraw/zinc/14/72/87/588147287.db2.gz ACSXSPIJFYVXFQ-MRVPVSSYSA-N 1 2 223.251 0.816 20 0 BCADLO CCCONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000844084190 588162922 /nfs/dbraw/zinc/16/29/22/588162922.db2.gz FNRXZOIALNKKCK-VIFPVBQESA-N 1 2 223.276 0.903 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844144336 588170518 /nfs/dbraw/zinc/17/05/18/588170518.db2.gz RZVRPAXWLUVYJR-SNVBAGLBSA-N 1 2 235.287 0.903 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)c1ccncc1 ZINC000844257708 588177909 /nfs/dbraw/zinc/17/79/09/588177909.db2.gz PLLSPGFUJWABAO-UHFFFAOYSA-N 1 2 236.271 0.571 20 0 BCADLO COC/C(C)=C/C(=O)N(C)Cc1[nH+]ccn1C ZINC000844302299 588182072 /nfs/dbraw/zinc/18/20/72/588182072.db2.gz HKIIYSUWPDIPQL-JXMROGBWSA-N 1 2 237.303 0.971 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)[C@@H](C)CO1 ZINC000844390556 588189209 /nfs/dbraw/zinc/18/92/09/588189209.db2.gz IEMHDMACKJLNRC-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)[C@@H](C)CO1 ZINC000844390556 588189210 /nfs/dbraw/zinc/18/92/10/588189210.db2.gz IEMHDMACKJLNRC-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844393265 588189407 /nfs/dbraw/zinc/18/94/07/588189407.db2.gz QCLMIMUCBCSSHK-GARJFASQSA-N 1 2 245.319 0.410 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844393265 588189408 /nfs/dbraw/zinc/18/94/08/588189408.db2.gz QCLMIMUCBCSSHK-GARJFASQSA-N 1 2 245.319 0.410 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)[C@@H]1CCCOC1 ZINC000844400773 588190315 /nfs/dbraw/zinc/19/03/15/588190315.db2.gz DXUYHFTYACIPEC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)[C@@H]1CCCOC1 ZINC000844400773 588190316 /nfs/dbraw/zinc/19/03/16/588190316.db2.gz DXUYHFTYACIPEC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C2(CCC2)CO1 ZINC000844422490 588191784 /nfs/dbraw/zinc/19/17/84/588191784.db2.gz NJLXUZHIGZNYSZ-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C2(CCC2)CO1 ZINC000844422490 588191787 /nfs/dbraw/zinc/19/17/87/588191787.db2.gz NJLXUZHIGZNYSZ-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC(F)C1 ZINC000867357197 588192420 /nfs/dbraw/zinc/19/24/20/588192420.db2.gz ZRNDEYPIZXNICP-OWOJBTEDSA-N 1 2 228.267 0.055 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450737 588195470 /nfs/dbraw/zinc/19/54/70/588195470.db2.gz PVEQIXWAHNFILD-KNVOCYPGSA-N 1 2 247.245 0.029 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450737 588195471 /nfs/dbraw/zinc/19/54/71/588195471.db2.gz PVEQIXWAHNFILD-KNVOCYPGSA-N 1 2 247.245 0.029 20 0 BCADLO CC1(C)C[N@H+](CCF)[C@@H]2COC[C@H]2O1 ZINC000844471170 588198161 /nfs/dbraw/zinc/19/81/61/588198161.db2.gz VEFSNNSRLMWWHI-RKDXNWHRSA-N 1 2 203.257 0.834 20 0 BCADLO CC1(C)C[N@@H+](CCF)[C@@H]2COC[C@H]2O1 ZINC000844471170 588198162 /nfs/dbraw/zinc/19/81/62/588198162.db2.gz VEFSNNSRLMWWHI-RKDXNWHRSA-N 1 2 203.257 0.834 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000844553531 588202084 /nfs/dbraw/zinc/20/20/84/588202084.db2.gz UQFAGUNMPIEGOI-YFKPBYRVSA-N 1 2 201.176 0.709 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=O)n1C ZINC000844696694 588214065 /nfs/dbraw/zinc/21/40/65/588214065.db2.gz CDMUALKKVPFPDD-NSHDSACASA-N 1 2 236.319 0.580 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=O)n1C ZINC000844696694 588214068 /nfs/dbraw/zinc/21/40/68/588214068.db2.gz CDMUALKKVPFPDD-NSHDSACASA-N 1 2 236.319 0.580 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=O)n1C ZINC000844697944 588214247 /nfs/dbraw/zinc/21/42/47/588214247.db2.gz ILHNXFCSTVFPDT-RKDXNWHRSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=O)n1C ZINC000844697944 588214249 /nfs/dbraw/zinc/21/42/49/588214249.db2.gz ILHNXFCSTVFPDT-RKDXNWHRSA-N 1 2 224.308 0.578 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844757468 588216350 /nfs/dbraw/zinc/21/63/50/588216350.db2.gz OTYQGPKGQJKMMC-HLTSFMKQSA-N 1 2 246.257 0.388 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844757468 588216351 /nfs/dbraw/zinc/21/63/51/588216351.db2.gz OTYQGPKGQJKMMC-HLTSFMKQSA-N 1 2 246.257 0.388 20 0 BCADLO C[C@H](CC(=O)O[C@@H]1CCOC1=O)n1cc[nH+]c1 ZINC000845279520 588225589 /nfs/dbraw/zinc/22/55/89/588225589.db2.gz OEXWODKQJBJEGG-RKDXNWHRSA-N 1 2 238.243 0.693 20 0 BCADLO COC[C@H](C)OC(=O)NCCc1cn(C)c[nH+]1 ZINC000867383374 588226861 /nfs/dbraw/zinc/22/68/61/588226861.db2.gz WFCWLWONTUODHG-VIFPVBQESA-N 1 2 241.291 0.724 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cc1nonc1C ZINC000845353808 588227739 /nfs/dbraw/zinc/22/77/39/588227739.db2.gz XURXJQTUONVLEW-UHFFFAOYSA-N 1 2 248.242 0.963 20 0 BCADLO C[C@H](CC(=O)OCCc1cn[nH]n1)n1cc[nH+]c1 ZINC000845477363 588229947 /nfs/dbraw/zinc/22/99/47/588229947.db2.gz PZOJZTNJYOTAMJ-SECBINFHSA-N 1 2 249.274 0.738 20 0 BCADLO C[C@H](CC(=O)OCCc1c[nH]nn1)n1cc[nH+]c1 ZINC000845477363 588229948 /nfs/dbraw/zinc/22/99/48/588229948.db2.gz PZOJZTNJYOTAMJ-SECBINFHSA-N 1 2 249.274 0.738 20 0 BCADLO COC/C(C)=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000845486940 588230531 /nfs/dbraw/zinc/23/05/31/588230531.db2.gz JHGPOOVOOHTUSF-YVMONPNESA-N 1 2 209.249 0.619 20 0 BCADLO COCC(C)=CC(=O)NCc1[nH]cc[nH+]1 ZINC000845486940 588230532 /nfs/dbraw/zinc/23/05/32/588230532.db2.gz JHGPOOVOOHTUSF-YVMONPNESA-N 1 2 209.249 0.619 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000845849033 588247319 /nfs/dbraw/zinc/24/73/19/588247319.db2.gz XGVWRDXJJBLLBT-BSKOKIOFSA-N 1 2 249.314 0.976 20 0 BCADLO COCC(C)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000845849033 588247320 /nfs/dbraw/zinc/24/73/20/588247320.db2.gz XGVWRDXJJBLLBT-BSKOKIOFSA-N 1 2 249.314 0.976 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845961734 588251882 /nfs/dbraw/zinc/25/18/82/588251882.db2.gz OKSRPQXKSBTRAM-PFEDMVJOSA-N 1 2 249.314 0.907 20 0 BCADLO CCONC(=O)C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000846087879 588255948 /nfs/dbraw/zinc/25/59/48/588255948.db2.gz UZOGVKHWYRJJTO-GHMZBOCLSA-N 1 2 244.335 0.849 20 0 BCADLO CCONC(=O)C[NH2+]CC1(CC)CCOCC1 ZINC000846085746 588256044 /nfs/dbraw/zinc/25/60/44/588256044.db2.gz MLEDHOXWSNGILG-UHFFFAOYSA-N 1 2 244.335 0.851 20 0 BCADLO CCONC(=O)C[NH2+]CCSCC ZINC000846090993 588256483 /nfs/dbraw/zinc/25/64/83/588256483.db2.gz HMZWANOQDSUVRQ-UHFFFAOYSA-N 1 2 206.311 0.397 20 0 BCADLO C[C@H](CC(=O)NN1CCOCC1)n1cc[nH+]c1 ZINC000846628002 588279727 /nfs/dbraw/zinc/27/97/27/588279727.db2.gz MEPCXXSJKMPNMG-SNVBAGLBSA-N 1 2 238.291 0.198 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846798937 588289099 /nfs/dbraw/zinc/28/90/99/588289099.db2.gz NLDGAWJWOBFFRD-SECBINFHSA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846798937 588289100 /nfs/dbraw/zinc/28/91/00/588289100.db2.gz NLDGAWJWOBFFRD-SECBINFHSA-N 1 2 240.332 0.768 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846805599 588289517 /nfs/dbraw/zinc/28/95/17/588289517.db2.gz ZDWBTFLFFGFIQV-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846805599 588289518 /nfs/dbraw/zinc/28/95/18/588289518.db2.gz ZDWBTFLFFGFIQV-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)OC1=O ZINC000846806022 588289707 /nfs/dbraw/zinc/28/97/07/588289707.db2.gz CCHFBGUHFIDEGU-AXFHLTTASA-N 1 2 240.303 0.690 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)OC1=O ZINC000846806022 588289708 /nfs/dbraw/zinc/28/97/08/588289708.db2.gz CCHFBGUHFIDEGU-AXFHLTTASA-N 1 2 240.303 0.690 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@H]1CN(CC)C(=O)O1 ZINC000846808291 588289894 /nfs/dbraw/zinc/28/98/94/588289894.db2.gz KKFFMXYTSXBMLO-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@H]1CN(CC)C(=O)O1 ZINC000846808291 588289895 /nfs/dbraw/zinc/28/98/95/588289895.db2.gz KKFFMXYTSXBMLO-GHMZBOCLSA-N 1 2 242.319 0.938 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cnsn1 ZINC000846810260 588290561 /nfs/dbraw/zinc/29/05/61/588290561.db2.gz DDLQGGOIALUYGH-SSDOTTSWSA-N 1 2 228.321 0.352 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cnsn1 ZINC000846810260 588290562 /nfs/dbraw/zinc/29/05/62/588290562.db2.gz DDLQGGOIALUYGH-SSDOTTSWSA-N 1 2 228.321 0.352 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@@H](C)[C@H]2C)OC1=O ZINC000846817028 588290805 /nfs/dbraw/zinc/29/08/05/588290805.db2.gz KGNWTPSKCQZNAR-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@@H](C)[C@H]2C)OC1=O ZINC000846817028 588290806 /nfs/dbraw/zinc/29/08/06/588290806.db2.gz KGNWTPSKCQZNAR-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO CNC(=O)C1([NH2+]Cc2cnsn2)CCCC1 ZINC000846827730 588291295 /nfs/dbraw/zinc/29/12/95/588291295.db2.gz XCJDRTPZCJTLKR-UHFFFAOYSA-N 1 2 240.332 0.687 20 0 BCADLO COC(=O)CC(C)(C)[NH2+]Cc1cnsn1 ZINC000846831668 588291660 /nfs/dbraw/zinc/29/16/60/588291660.db2.gz MNLBITRSHKLFHX-UHFFFAOYSA-N 1 2 229.305 0.969 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2cnsn2)C1 ZINC000846858104 588293864 /nfs/dbraw/zinc/29/38/64/588293864.db2.gz LOCRYZZKRCHFAV-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2cnsn2)C1 ZINC000846858104 588293865 /nfs/dbraw/zinc/29/38/65/588293865.db2.gz LOCRYZZKRCHFAV-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)on1 ZINC000846866984 588294018 /nfs/dbraw/zinc/29/40/18/588294018.db2.gz KBWOKBNHTZZZLJ-SKDRFNHKSA-N 1 2 236.271 0.691 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)on1 ZINC000846866984 588294019 /nfs/dbraw/zinc/29/40/19/588294019.db2.gz KBWOKBNHTZZZLJ-SKDRFNHKSA-N 1 2 236.271 0.691 20 0 BCADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cnsn1 ZINC000846862118 588294065 /nfs/dbraw/zinc/29/40/65/588294065.db2.gz OJWOOQLKOOPANG-ZJUUUORDSA-N 1 2 243.332 0.822 20 0 BCADLO C[N@H+](Cc1cnsn1)C1(CO)CCOCC1 ZINC000846870151 588294294 /nfs/dbraw/zinc/29/42/94/588294294.db2.gz BRDGAAMFBLGXQF-UHFFFAOYSA-N 1 2 243.332 0.511 20 0 BCADLO C[N@@H+](Cc1cnsn1)C1(CO)CCOCC1 ZINC000846870151 588294295 /nfs/dbraw/zinc/29/42/95/588294295.db2.gz BRDGAAMFBLGXQF-UHFFFAOYSA-N 1 2 243.332 0.511 20 0 BCADLO NC(=O)C[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846899552 588296104 /nfs/dbraw/zinc/29/61/04/588296104.db2.gz LHSZAALSFDSUKP-SSDOTTSWSA-N 1 2 226.305 0.235 20 0 BCADLO NC(=O)C[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846899552 588296105 /nfs/dbraw/zinc/29/61/05/588296105.db2.gz LHSZAALSFDSUKP-SSDOTTSWSA-N 1 2 226.305 0.235 20 0 BCADLO CCN1C[C@@H](C[N@H+](C2CC2)C2COC2)OC1=O ZINC000846927034 588297054 /nfs/dbraw/zinc/29/70/54/588297054.db2.gz BCXFVYFRXWJRAK-NSHDSACASA-N 1 2 240.303 0.690 20 0 BCADLO CCN1C[C@@H](C[N@@H+](C2CC2)C2COC2)OC1=O ZINC000846927034 588297055 /nfs/dbraw/zinc/29/70/55/588297055.db2.gz BCXFVYFRXWJRAK-NSHDSACASA-N 1 2 240.303 0.690 20 0 BCADLO CC(C)c1cnc(C[NH2+]C(CO)CO)o1 ZINC000846935696 588297577 /nfs/dbraw/zinc/29/75/77/588297577.db2.gz JWGXYNKGZDPCKP-UHFFFAOYSA-N 1 2 214.265 0.241 20 0 BCADLO FCCN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000846932535 588297590 /nfs/dbraw/zinc/29/75/90/588297590.db2.gz BZJHOZMOVOOOQM-NSHDSACASA-N 1 2 216.300 0.753 20 0 BCADLO CON1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000846975592 588299575 /nfs/dbraw/zinc/29/95/75/588299575.db2.gz JDIJLFMWEZOIMR-LLVKDONJSA-N 1 2 243.351 0.421 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846978521 588299836 /nfs/dbraw/zinc/29/98/36/588299836.db2.gz UPGLJEPLKQINEX-LLVKDONJSA-N 1 2 243.351 0.422 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(OC)CC1 ZINC000846983145 588300249 /nfs/dbraw/zinc/30/02/49/588300249.db2.gz NVZWKUPQVHUATP-SNVBAGLBSA-N 1 2 229.324 0.080 20 0 BCADLO CON1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000846983237 588300301 /nfs/dbraw/zinc/30/03/01/588300301.db2.gz PHWCYURUBQNQDK-LLVKDONJSA-N 1 2 243.351 0.326 20 0 BCADLO NC(=O)[C@]1([NH2+]C/C(Cl)=C/Cl)CCOC1 ZINC000847051816 588305054 /nfs/dbraw/zinc/30/50/54/588305054.db2.gz ACBHDRKXWSZJME-LBLVLHIFSA-N 1 2 239.102 0.539 20 0 BCADLO NC(=O)[C@@]1([NH2+]C/C(Cl)=C\Cl)CCOC1 ZINC000847051812 588305089 /nfs/dbraw/zinc/30/50/89/588305089.db2.gz ACBHDRKXWSZJME-GWSCVKMXSA-N 1 2 239.102 0.539 20 0 BCADLO CCCCOC(=O)C(C)(C)[NH2+]CCO ZINC000847060509 588305496 /nfs/dbraw/zinc/30/54/96/588305496.db2.gz KJEVOEGOEQQNNT-UHFFFAOYSA-N 1 2 203.282 0.690 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N=c2sccn2C)C1 ZINC000847413930 588311682 /nfs/dbraw/zinc/31/16/82/588311682.db2.gz DUNGZWQFKNJZLE-VIFPVBQESA-N 1 2 239.344 0.856 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N=c2sccn2C)C1 ZINC000847413930 588311683 /nfs/dbraw/zinc/31/16/83/588311683.db2.gz DUNGZWQFKNJZLE-VIFPVBQESA-N 1 2 239.344 0.856 20 0 BCADLO C[N@H+](CN1C(=O)CC(C)(C)C1=O)[C@H]1CCOC1 ZINC000106857653 588313407 /nfs/dbraw/zinc/31/34/07/588313407.db2.gz IQELQIKTFRVPAZ-VIFPVBQESA-N 1 2 240.303 0.450 20 0 BCADLO C[N@@H+](CN1C(=O)CC(C)(C)C1=O)[C@H]1CCOC1 ZINC000106857653 588313409 /nfs/dbraw/zinc/31/34/09/588313409.db2.gz IQELQIKTFRVPAZ-VIFPVBQESA-N 1 2 240.303 0.450 20 0 BCADLO CSCCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848021528 588348261 /nfs/dbraw/zinc/34/82/61/588348261.db2.gz XNNHIDSBFAIOLH-MRVPVSSYSA-N 1 2 243.332 0.999 20 0 BCADLO CSCCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848021528 588348262 /nfs/dbraw/zinc/34/82/62/588348262.db2.gz XNNHIDSBFAIOLH-MRVPVSSYSA-N 1 2 243.332 0.999 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)O[C@H]3CNOC3)ccn12 ZINC000848056815 588350243 /nfs/dbraw/zinc/35/02/43/588350243.db2.gz IQIDFBNPCDCILQ-JTQLQIEISA-N 1 2 247.254 0.703 20 0 BCADLO CCO/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000848063071 588352644 /nfs/dbraw/zinc/35/26/44/588352644.db2.gz KWEUILUMNZAJFA-OMMCCPJFSA-N 1 2 235.287 0.864 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000848115733 588357935 /nfs/dbraw/zinc/35/79/35/588357935.db2.gz OTYDRQBGSOUMHN-SNVBAGLBSA-N 1 2 217.272 0.903 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnn(CC)n1 ZINC000848174484 588365068 /nfs/dbraw/zinc/36/50/68/588365068.db2.gz LHILZMSIBMCYLT-UHFFFAOYSA-N 1 2 248.290 0.444 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@@H](O)C2)cnc1Cl ZINC000848880087 588416211 /nfs/dbraw/zinc/41/62/11/588416211.db2.gz CTOJUPXEJRHLRK-MRVPVSSYSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1c(C[N@H+]2CC[C@@H](O)C2)cnc1Cl ZINC000848880087 588416213 /nfs/dbraw/zinc/41/62/13/588416213.db2.gz CTOJUPXEJRHLRK-MRVPVSSYSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cnc1Cl ZINC000848903582 588418994 /nfs/dbraw/zinc/41/89/94/588418994.db2.gz AMJMPJWTFXDDTK-IONNQARKSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1c(C[N@H+]2C[C@H](O)C[C@H]2CO)cnc1Cl ZINC000848903582 588418996 /nfs/dbraw/zinc/41/89/96/588418996.db2.gz AMJMPJWTFXDDTK-IONNQARKSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cnc1Cl ZINC000848906794 588419596 /nfs/dbraw/zinc/41/95/96/588419596.db2.gz ZPWGCPJPGHGKEL-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cnc1Cl ZINC000848906794 588419597 /nfs/dbraw/zinc/41/95/97/588419597.db2.gz ZPWGCPJPGHGKEL-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000849049164 588451359 /nfs/dbraw/zinc/45/13/59/588451359.db2.gz ODQOKDGFULOTAH-UHFFFAOYSA-N 1 2 242.323 0.310 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849050322 588451856 /nfs/dbraw/zinc/45/18/56/588451856.db2.gz ZKSHHKFPGDGTPT-SECBINFHSA-N 1 2 242.323 0.310 20 0 BCADLO C[NH+](C)c1ccc(-n2cc(CCO)nn2)cc1 ZINC000849145415 588455437 /nfs/dbraw/zinc/45/54/37/588455437.db2.gz ATZARFITFMREEM-UHFFFAOYSA-N 1 2 232.287 0.868 20 0 BCADLO OCc1cc(-n2cc(C3(O)CCC3)nn2)cc[nH+]1 ZINC000849149251 588456031 /nfs/dbraw/zinc/45/60/31/588456031.db2.gz FIOWPKIUALKUPS-UHFFFAOYSA-N 1 2 246.270 0.526 20 0 BCADLO OCc1cc(-n2cc([C@@H](O)C3CC3)nn2)cc[nH+]1 ZINC000849150689 588456160 /nfs/dbraw/zinc/45/61/60/588456160.db2.gz PDWXBWZPENPMND-LBPRGKRZSA-N 1 2 246.270 0.598 20 0 BCADLO OCc1cc(-n2cc([C@H](O)C3CC3)nn2)cc[nH+]1 ZINC000849150688 588456369 /nfs/dbraw/zinc/45/63/69/588456369.db2.gz PDWXBWZPENPMND-GFCCVEGCSA-N 1 2 246.270 0.598 20 0 BCADLO CC(C)N(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000849407621 588476879 /nfs/dbraw/zinc/47/68/79/588476879.db2.gz MHDAWSKEKVQYLZ-UHFFFAOYSA-N 1 2 246.336 0.427 20 0 BCADLO CC(C)N(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000849407621 588476880 /nfs/dbraw/zinc/47/68/80/588476880.db2.gz MHDAWSKEKVQYLZ-UHFFFAOYSA-N 1 2 246.336 0.427 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc[nH]n2)C1 ZINC000849735638 588491589 /nfs/dbraw/zinc/49/15/89/588491589.db2.gz VVOILUZUHJPXBU-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc[nH]n2)C1 ZINC000849735638 588491590 /nfs/dbraw/zinc/49/15/90/588491590.db2.gz VVOILUZUHJPXBU-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H](O)C(C)C)C1 ZINC000849734468 588491640 /nfs/dbraw/zinc/49/16/40/588491640.db2.gz IOZYNIAKUNJCQH-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H](O)C(C)C)C1 ZINC000849734468 588491641 /nfs/dbraw/zinc/49/16/41/588491641.db2.gz IOZYNIAKUNJCQH-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC[C@H](C)O)C1 ZINC000849735370 588491786 /nfs/dbraw/zinc/49/17/86/588491786.db2.gz TVUBMCJENLLWCV-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC[C@H](C)O)C1 ZINC000849735370 588491788 /nfs/dbraw/zinc/49/17/88/588491788.db2.gz TVUBMCJENLLWCV-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC[C@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000850202348 588528008 /nfs/dbraw/zinc/52/80/08/588528008.db2.gz VXHAWXPQHSFTJG-VIFPVBQESA-N 1 2 228.248 0.088 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000850339026 588537427 /nfs/dbraw/zinc/53/74/27/588537427.db2.gz NHPKXOZJIZORDK-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCn1ncc(CN[C@@H](C)c2[nH+]ccn2C)n1 ZINC000850410449 588544468 /nfs/dbraw/zinc/54/44/68/588544468.db2.gz UUXLAJSKURQNCX-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO CN(C)C(=O)C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851720958 588617032 /nfs/dbraw/zinc/61/70/32/588617032.db2.gz XHRQTUPOVJVJSI-LLVKDONJSA-N 1 2 237.303 0.135 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851720958 588617033 /nfs/dbraw/zinc/61/70/33/588617033.db2.gz XHRQTUPOVJVJSI-LLVKDONJSA-N 1 2 237.303 0.135 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851729142 588619183 /nfs/dbraw/zinc/61/91/83/588619183.db2.gz ZRRJZURUDCUWRY-UHFFFAOYSA-N 1 2 224.264 0.157 20 0 BCADLO COC(=O)N1CC[NH+](CCOC(F)F)CC1 ZINC000851731606 588619485 /nfs/dbraw/zinc/61/94/85/588619485.db2.gz VHHFCAIRSMMDQK-UHFFFAOYSA-N 1 2 238.234 0.610 20 0 BCADLO CCNC(=O)C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851731422 588619543 /nfs/dbraw/zinc/61/95/43/588619543.db2.gz PSWXKMPUFJTULA-NSHDSACASA-N 1 2 237.303 0.183 20 0 BCADLO CCNC(=O)C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851731422 588619544 /nfs/dbraw/zinc/61/95/44/588619544.db2.gz PSWXKMPUFJTULA-NSHDSACASA-N 1 2 237.303 0.183 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851737807 588620902 /nfs/dbraw/zinc/62/09/02/588620902.db2.gz OIBPHQSMSYTJCS-JTQLQIEISA-N 1 2 238.291 0.418 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851737807 588620903 /nfs/dbraw/zinc/62/09/03/588620903.db2.gz OIBPHQSMSYTJCS-JTQLQIEISA-N 1 2 238.291 0.418 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](Cc1cnon1)C1CC1 ZINC000851747521 588622472 /nfs/dbraw/zinc/62/24/72/588622472.db2.gz VRTLBIGSSRKAPT-MRVPVSSYSA-N 1 2 239.275 0.843 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](Cc1cnon1)C1CC1 ZINC000851747521 588622473 /nfs/dbraw/zinc/62/24/73/588622473.db2.gz VRTLBIGSSRKAPT-MRVPVSSYSA-N 1 2 239.275 0.843 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851768005 588625094 /nfs/dbraw/zinc/62/50/94/588625094.db2.gz ILNRAZSHJPKKBI-BDAKNGLRSA-N 1 2 249.332 0.057 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851768005 588625095 /nfs/dbraw/zinc/62/50/95/588625095.db2.gz ILNRAZSHJPKKBI-BDAKNGLRSA-N 1 2 249.332 0.057 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851772738 588625982 /nfs/dbraw/zinc/62/59/82/588625982.db2.gz LLYZRNUIKOJWQO-LLVKDONJSA-N 1 2 249.314 0.325 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851772738 588625983 /nfs/dbraw/zinc/62/59/83/588625983.db2.gz LLYZRNUIKOJWQO-LLVKDONJSA-N 1 2 249.314 0.325 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851778170 588627126 /nfs/dbraw/zinc/62/71/26/588627126.db2.gz DZTBRRJNLMGRFD-ZJUUUORDSA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851778170 588627127 /nfs/dbraw/zinc/62/71/27/588627127.db2.gz DZTBRRJNLMGRFD-ZJUUUORDSA-N 1 2 242.319 0.348 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851810533 588632127 /nfs/dbraw/zinc/63/21/27/588632127.db2.gz IJPHNBAZKXCZHF-UWVGGRQHSA-N 1 2 243.303 0.964 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851810533 588632128 /nfs/dbraw/zinc/63/21/28/588632128.db2.gz IJPHNBAZKXCZHF-UWVGGRQHSA-N 1 2 243.303 0.964 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1cnon1 ZINC000851810048 588632215 /nfs/dbraw/zinc/63/22/15/588632215.db2.gz VRRWQQGQRBZNHI-VIFPVBQESA-N 1 2 229.305 0.369 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1cnon1 ZINC000851810048 588632216 /nfs/dbraw/zinc/63/22/16/588632216.db2.gz VRRWQQGQRBZNHI-VIFPVBQESA-N 1 2 229.305 0.369 20 0 BCADLO Cn1c[nH+]c(CN2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000851814126 588633052 /nfs/dbraw/zinc/63/30/52/588633052.db2.gz XYPKNSBKKWTWIK-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO Cn1c[nH+]c(CN2CCN3C(=O)OC[C@H]3C2)c1 ZINC000851814127 588633071 /nfs/dbraw/zinc/63/30/71/588633071.db2.gz XYPKNSBKKWTWIK-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cnon1 ZINC000851852917 588635532 /nfs/dbraw/zinc/63/55/32/588635532.db2.gz RESSZPCNIWAVFC-SNVBAGLBSA-N 1 2 243.263 0.127 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000851862647 588636326 /nfs/dbraw/zinc/63/63/26/588636326.db2.gz COSQSOUQYAAAFR-SNVBAGLBSA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000851862647 588636327 /nfs/dbraw/zinc/63/63/27/588636327.db2.gz COSQSOUQYAAAFR-SNVBAGLBSA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000851862647 588636328 /nfs/dbraw/zinc/63/63/28/588636328.db2.gz COSQSOUQYAAAFR-SNVBAGLBSA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000851862647 588636329 /nfs/dbraw/zinc/63/63/29/588636329.db2.gz COSQSOUQYAAAFR-SNVBAGLBSA-N 1 2 237.303 0.919 20 0 BCADLO C[N@H+](Cc1cccc(F)n1)[C@@H]1CCNC1=O ZINC000851871603 588637183 /nfs/dbraw/zinc/63/71/83/588637183.db2.gz SMFSADGRNRUFTF-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1cccc(F)n1)[C@@H]1CCNC1=O ZINC000851871603 588637184 /nfs/dbraw/zinc/63/71/84/588637184.db2.gz SMFSADGRNRUFTF-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO COCCO[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851872349 588637505 /nfs/dbraw/zinc/63/75/05/588637505.db2.gz FLYJOLYJUIELNL-NSHDSACASA-N 1 2 241.291 0.697 20 0 BCADLO COCCO[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851872349 588637506 /nfs/dbraw/zinc/63/75/06/588637506.db2.gz FLYJOLYJUIELNL-NSHDSACASA-N 1 2 241.291 0.697 20 0 BCADLO CN(Cc1cnon1)Cc1[nH+]ccn1C ZINC000851872142 588637553 /nfs/dbraw/zinc/63/75/53/588637553.db2.gz ZTFMZESHNLXRBC-UHFFFAOYSA-N 1 2 207.237 0.435 20 0 BCADLO COC(=O)/C(C)=C\CN(C)Cc1[nH]cc[nH+]1 ZINC000851874149 588637894 /nfs/dbraw/zinc/63/78/94/588637894.db2.gz AJRXERDJSHYENJ-WTKPLQERSA-N 1 2 223.276 0.961 20 0 BCADLO CCc1nocc1C[N@@H+]1CCOC[C@H]1CCO ZINC000851878446 588638896 /nfs/dbraw/zinc/63/88/96/588638896.db2.gz LGAOUCLCUMETTH-LLVKDONJSA-N 1 2 240.303 0.820 20 0 BCADLO CCc1nocc1C[N@H+]1CCOC[C@H]1CCO ZINC000851878446 588638897 /nfs/dbraw/zinc/63/88/97/588638897.db2.gz LGAOUCLCUMETTH-LLVKDONJSA-N 1 2 240.303 0.820 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851880240 588638975 /nfs/dbraw/zinc/63/89/75/588638975.db2.gz QOMXLPJZYXWGBO-JTQLQIEISA-N 1 2 236.275 0.266 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851880240 588638976 /nfs/dbraw/zinc/63/89/76/588638976.db2.gz QOMXLPJZYXWGBO-JTQLQIEISA-N 1 2 236.275 0.266 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000851884732 588639901 /nfs/dbraw/zinc/63/99/01/588639901.db2.gz AMWMZFUPEZUVGU-SCZZXKLOSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000851884732 588639902 /nfs/dbraw/zinc/63/99/02/588639902.db2.gz AMWMZFUPEZUVGU-SCZZXKLOSA-N 1 2 210.281 0.111 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851885149 588639909 /nfs/dbraw/zinc/63/99/09/588639909.db2.gz XINKITCVUIIMBQ-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851885149 588639910 /nfs/dbraw/zinc/63/99/10/588639910.db2.gz XINKITCVUIIMBQ-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO CCn1ncc(C[N@H+](C)CCc2cnccn2)n1 ZINC000851890206 588641107 /nfs/dbraw/zinc/64/11/07/588641107.db2.gz VHYCQINLWLONQN-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO CCn1ncc(C[N@@H+](C)CCc2cnccn2)n1 ZINC000851890206 588641108 /nfs/dbraw/zinc/64/11/08/588641108.db2.gz VHYCQINLWLONQN-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1CCc1cnn[nH]1 ZINC000851908173 588642303 /nfs/dbraw/zinc/64/23/03/588642303.db2.gz ZJRFHXKKTVLNFE-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO C[C@H]1CCOCC[N@H+]1CCc1cnn[nH]1 ZINC000851908173 588642304 /nfs/dbraw/zinc/64/23/04/588642304.db2.gz ZJRFHXKKTVLNFE-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO CCONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000851919152 588643670 /nfs/dbraw/zinc/64/36/70/588643670.db2.gz GWHSCJOQAMHIPQ-SSDOTTSWSA-N 1 2 212.253 0.732 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000851928823 588644779 /nfs/dbraw/zinc/64/47/79/588644779.db2.gz QSGXDRWQNYGAAQ-HBNTYKKESA-N 1 2 247.335 0.825 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000851939861 588646170 /nfs/dbraw/zinc/64/61/70/588646170.db2.gz KAXUDYFDFJYPRB-DTWKUNHWSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000851939861 588646171 /nfs/dbraw/zinc/64/61/71/588646171.db2.gz KAXUDYFDFJYPRB-DTWKUNHWSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1Cc1cn(C)c[nH+]1 ZINC000851968041 588648670 /nfs/dbraw/zinc/64/86/70/588648670.db2.gz JBFQALJJHKUZGP-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)n(C)n1 ZINC000851973628 588650172 /nfs/dbraw/zinc/65/01/72/588650172.db2.gz GOMHHTVNTCQBMV-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)n(C)n1 ZINC000851973628 588650173 /nfs/dbraw/zinc/65/01/73/588650173.db2.gz GOMHHTVNTCQBMV-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973669 588650255 /nfs/dbraw/zinc/65/02/55/588650255.db2.gz HJQFJIHEVZSQTN-IUCAKERBSA-N 1 2 222.292 0.730 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973669 588650256 /nfs/dbraw/zinc/65/02/56/588650256.db2.gz HJQFJIHEVZSQTN-IUCAKERBSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnon1 ZINC000852002301 588654173 /nfs/dbraw/zinc/65/41/73/588654173.db2.gz CCZHMPSYBZWERF-SCZZXKLOSA-N 1 2 227.264 0.041 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnon1 ZINC000852002301 588654174 /nfs/dbraw/zinc/65/41/74/588654174.db2.gz CCZHMPSYBZWERF-SCZZXKLOSA-N 1 2 227.264 0.041 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccccn1 ZINC000852004273 588654218 /nfs/dbraw/zinc/65/42/18/588654218.db2.gz FXEHDDZNJYGSHH-KOLCDFICSA-N 1 2 238.287 0.608 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000852004273 588654219 /nfs/dbraw/zinc/65/42/19/588654219.db2.gz FXEHDDZNJYGSHH-KOLCDFICSA-N 1 2 238.287 0.608 20 0 BCADLO O[C@@H](C[N@@H+]1CCOCC12CC2)c1ccccn1 ZINC000852018232 588655856 /nfs/dbraw/zinc/65/58/56/588655856.db2.gz KHLMIRWEOWMEGB-LBPRGKRZSA-N 1 2 234.299 0.980 20 0 BCADLO O[C@@H](C[N@H+]1CCOCC12CC2)c1ccccn1 ZINC000852018232 588655857 /nfs/dbraw/zinc/65/58/57/588655857.db2.gz KHLMIRWEOWMEGB-LBPRGKRZSA-N 1 2 234.299 0.980 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCOC(F)F ZINC000852050157 588657851 /nfs/dbraw/zinc/65/78/51/588657851.db2.gz MDOIVUSUBOILHJ-UHFFFAOYSA-N 1 2 220.223 0.486 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCOC(F)F ZINC000852050157 588657852 /nfs/dbraw/zinc/65/78/52/588657852.db2.gz MDOIVUSUBOILHJ-UHFFFAOYSA-N 1 2 220.223 0.486 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852051570 588657828 /nfs/dbraw/zinc/65/78/28/588657828.db2.gz XZGAJXNQNDGGEM-SECBINFHSA-N 1 2 240.307 0.398 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852051570 588657829 /nfs/dbraw/zinc/65/78/29/588657829.db2.gz XZGAJXNQNDGGEM-SECBINFHSA-N 1 2 240.307 0.398 20 0 BCADLO CC1(C)OC[C@@H](CC[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000852062940 588658552 /nfs/dbraw/zinc/65/85/52/588658552.db2.gz MNRHMFCCEHDPGN-SKDRFNHKSA-N 1 2 243.303 0.823 20 0 BCADLO CO[C@H](C[NH2+][C@@]1(C)CCOC1=O)[C@@H]1CCOC1 ZINC000852062408 588658616 /nfs/dbraw/zinc/65/86/16/588658616.db2.gz DQBZKDOEAJGGHO-FOGDFJRCSA-N 1 2 243.303 0.333 20 0 BCADLO O[C@H](CN1CCn2c[nH+]cc2C1)c1ccccn1 ZINC000852063256 588658741 /nfs/dbraw/zinc/65/87/41/588658741.db2.gz OWHUHPSFIUBSRR-CYBMUJFWSA-N 1 2 244.298 0.827 20 0 BCADLO COc1cc(C[N@@H+]2CCCN(C=O)CC2)on1 ZINC000852072566 588659357 /nfs/dbraw/zinc/65/93/57/588659357.db2.gz COMAETWMBYUORW-UHFFFAOYSA-N 1 2 239.275 0.347 20 0 BCADLO COc1cc(C[N@H+]2CCCN(C=O)CC2)on1 ZINC000852072566 588659358 /nfs/dbraw/zinc/65/93/58/588659358.db2.gz COMAETWMBYUORW-UHFFFAOYSA-N 1 2 239.275 0.347 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn(C)cn3)C[C@@H]21 ZINC000852077015 588659691 /nfs/dbraw/zinc/65/96/91/588659691.db2.gz YHWGJVODQQBTAH-URLYPYJESA-N 1 2 235.287 0.271 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cn(C)cn3)C[C@@H]21 ZINC000852077015 588659692 /nfs/dbraw/zinc/65/96/92/588659692.db2.gz YHWGJVODQQBTAH-URLYPYJESA-N 1 2 235.287 0.271 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccsc1 ZINC000852091501 588661144 /nfs/dbraw/zinc/66/11/44/588661144.db2.gz YVBICNMEFIAENG-VIFPVBQESA-N 1 2 228.317 0.680 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccsc1 ZINC000852091501 588661145 /nfs/dbraw/zinc/66/11/45/588661145.db2.gz YVBICNMEFIAENG-VIFPVBQESA-N 1 2 228.317 0.680 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC(C(C)=O)CC2)C1=O ZINC000852126011 588665849 /nfs/dbraw/zinc/66/58/49/588665849.db2.gz REIHIULSWKPQLU-LLVKDONJSA-N 1 2 240.303 0.450 20 0 BCADLO Cn1ncc(C[N@H+](C2CC2)C2(CO)CCC2)n1 ZINC000852158817 588668025 /nfs/dbraw/zinc/66/80/25/588668025.db2.gz ITDDKQKADWVJTE-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cn1ncc(C[N@@H+](C2CC2)C2(CO)CCC2)n1 ZINC000852158817 588668026 /nfs/dbraw/zinc/66/80/26/588668026.db2.gz ITDDKQKADWVJTE-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000852178645 588669947 /nfs/dbraw/zinc/66/99/47/588669947.db2.gz YQMQLEMNFXFMSU-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000852178645 588669948 /nfs/dbraw/zinc/66/99/48/588669948.db2.gz YQMQLEMNFXFMSU-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccc(F)n1 ZINC000852186845 588670511 /nfs/dbraw/zinc/67/05/11/588670511.db2.gz JOFJRCNDBMTMSM-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccc(F)n1 ZINC000852186845 588670512 /nfs/dbraw/zinc/67/05/12/588670512.db2.gz JOFJRCNDBMTMSM-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO C[N@H+](C/C=C\Cl)Cc1n[nH]c(=O)o1 ZINC000852188376 588671041 /nfs/dbraw/zinc/67/10/41/588671041.db2.gz JDUWJUAMLKLDNM-IHWYPQMZSA-N 1 2 203.629 0.960 20 0 BCADLO C[N@@H+](C/C=C\Cl)Cc1n[nH]c(=O)o1 ZINC000852188376 588671042 /nfs/dbraw/zinc/67/10/42/588671042.db2.gz JDUWJUAMLKLDNM-IHWYPQMZSA-N 1 2 203.629 0.960 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC000852191180 588671229 /nfs/dbraw/zinc/67/12/29/588671229.db2.gz VNCZXCBNSDARHK-SNVBAGLBSA-N 1 2 234.263 0.498 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC000852191180 588671230 /nfs/dbraw/zinc/67/12/30/588671230.db2.gz VNCZXCBNSDARHK-SNVBAGLBSA-N 1 2 234.263 0.498 20 0 BCADLO COCCONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852288135 588675693 /nfs/dbraw/zinc/67/56/93/588675693.db2.gz RTNXXKCGPPMDRO-MRVPVSSYSA-N 1 2 242.279 0.358 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2C=CCC2)c1 ZINC000852378092 588680473 /nfs/dbraw/zinc/68/04/73/588680473.db2.gz XVNIBLTVRPANGS-JTQLQIEISA-N 1 2 234.303 0.980 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000852413747 588681720 /nfs/dbraw/zinc/68/17/20/588681720.db2.gz DOJVNPICXFPHFB-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000852413747 588681721 /nfs/dbraw/zinc/68/17/21/588681721.db2.gz DOJVNPICXFPHFB-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000852438475 588682093 /nfs/dbraw/zinc/68/20/93/588682093.db2.gz RCUPGMJVJPTVCD-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000852438475 588682094 /nfs/dbraw/zinc/68/20/94/588682094.db2.gz RCUPGMJVJPTVCD-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000852438637 588682365 /nfs/dbraw/zinc/68/23/65/588682365.db2.gz UYDSSSOZCADOQI-SNVBAGLBSA-N 1 2 248.286 0.503 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000852438637 588682366 /nfs/dbraw/zinc/68/23/66/588682366.db2.gz UYDSSSOZCADOQI-SNVBAGLBSA-N 1 2 248.286 0.503 20 0 BCADLO CCCNC(=O)C[N@H+](CCF)CCOC ZINC000852479634 588683551 /nfs/dbraw/zinc/68/35/51/588683551.db2.gz HNBZJOBDWDKPLT-UHFFFAOYSA-N 1 2 220.288 0.431 20 0 BCADLO CCCNC(=O)C[N@@H+](CCF)CCOC ZINC000852479634 588683552 /nfs/dbraw/zinc/68/35/52/588683552.db2.gz HNBZJOBDWDKPLT-UHFFFAOYSA-N 1 2 220.288 0.431 20 0 BCADLO COCC[N@H+](CCF)CC(=O)N(C)CC1CC1 ZINC000852480843 588684225 /nfs/dbraw/zinc/68/42/25/588684225.db2.gz DEQZRZBKEIETRH-UHFFFAOYSA-N 1 2 246.326 0.773 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)N(C)CC1CC1 ZINC000852480843 588684226 /nfs/dbraw/zinc/68/42/26/588684226.db2.gz DEQZRZBKEIETRH-UHFFFAOYSA-N 1 2 246.326 0.773 20 0 BCADLO Cc1ccnc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000852497667 588686106 /nfs/dbraw/zinc/68/61/06/588686106.db2.gz ZGCADUHMBWYBKQ-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO Cc1ccnc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000852497667 588686107 /nfs/dbraw/zinc/68/61/07/588686107.db2.gz ZGCADUHMBWYBKQ-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000110663549 588687814 /nfs/dbraw/zinc/68/78/14/588687814.db2.gz SOOHEFXZHRRETH-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000110663549 588687815 /nfs/dbraw/zinc/68/78/15/588687815.db2.gz SOOHEFXZHRRETH-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO C[N@H+](Cc1cnon1)CC1=CCCOC1 ZINC000852516456 588687908 /nfs/dbraw/zinc/68/79/08/588687908.db2.gz NFCPQCYERCMQSE-UHFFFAOYSA-N 1 2 209.249 0.848 20 0 BCADLO C[N@@H+](Cc1cnon1)CC1=CCCOC1 ZINC000852516456 588687909 /nfs/dbraw/zinc/68/79/09/588687909.db2.gz NFCPQCYERCMQSE-UHFFFAOYSA-N 1 2 209.249 0.848 20 0 BCADLO Cn1cc(C[N@H+](C)CCC(=O)C2CC2)nn1 ZINC000852553163 588689808 /nfs/dbraw/zinc/68/98/08/588689808.db2.gz MPKVSPFCWUYRAF-UHFFFAOYSA-N 1 2 222.292 0.616 20 0 BCADLO Cn1cc(C[N@@H+](C)CCC(=O)C2CC2)nn1 ZINC000852553163 588689809 /nfs/dbraw/zinc/68/98/09/588689809.db2.gz MPKVSPFCWUYRAF-UHFFFAOYSA-N 1 2 222.292 0.616 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1nonc1C ZINC000852568827 588691159 /nfs/dbraw/zinc/69/11/59/588691159.db2.gz QMGWTYAFQGDBOU-UHFFFAOYSA-N 1 2 242.279 0.508 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1nonc1C ZINC000852568827 588691160 /nfs/dbraw/zinc/69/11/60/588691160.db2.gz QMGWTYAFQGDBOU-UHFFFAOYSA-N 1 2 242.279 0.508 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)CC(=O)NC(C)C ZINC000852572982 588691742 /nfs/dbraw/zinc/69/17/42/588691742.db2.gz CYDUUHNXGTVNAJ-UHFFFAOYSA-N 1 2 245.323 0.141 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)C ZINC000852572982 588691743 /nfs/dbraw/zinc/69/17/43/588691743.db2.gz CYDUUHNXGTVNAJ-UHFFFAOYSA-N 1 2 245.323 0.141 20 0 BCADLO c1nsnc1C[N@@H+]1CCC2(COC2)C1 ZINC000852683138 588695540 /nfs/dbraw/zinc/69/55/40/588695540.db2.gz FRHSCZGFJFYWFK-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO c1nsnc1C[N@H+]1CCC2(COC2)C1 ZINC000852683138 588695541 /nfs/dbraw/zinc/69/55/41/588695541.db2.gz FRHSCZGFJFYWFK-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC000852764342 588700813 /nfs/dbraw/zinc/70/08/13/588700813.db2.gz DIIFQYPWBGALCR-UHFFFAOYSA-N 1 2 239.275 0.995 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852782250 588702068 /nfs/dbraw/zinc/70/20/68/588702068.db2.gz IGJSVNSOXNTVRE-RFAUZJTJSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852782250 588702069 /nfs/dbraw/zinc/70/20/69/588702069.db2.gz IGJSVNSOXNTVRE-RFAUZJTJSA-N 1 2 241.303 0.721 20 0 BCADLO O=C(OCC[NH+]1CCC1)C1CCC(=O)CC1 ZINC000861389410 589163759 /nfs/dbraw/zinc/16/37/59/589163759.db2.gz LIIDKLYGTBEWQR-UHFFFAOYSA-N 1 2 225.288 0.995 20 0 BCADLO Cc1[nH]ncc1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861557052 589167941 /nfs/dbraw/zinc/16/79/41/589167941.db2.gz UXMPLVNDKHXQEY-ZETCQYMHSA-N 1 2 225.296 0.207 20 0 BCADLO Cc1ccnn1CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763985 589176919 /nfs/dbraw/zinc/17/69/19/589176919.db2.gz HFORGOWETPFREX-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO Cc1ccnn1CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763985 589176920 /nfs/dbraw/zinc/17/69/20/589176920.db2.gz HFORGOWETPFREX-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO CO[C@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760220 589177150 /nfs/dbraw/zinc/17/71/50/589177150.db2.gz XVPJXTAYCZLOGR-MRVPVSSYSA-N 1 2 223.276 0.719 20 0 BCADLO CO[C@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760220 589177152 /nfs/dbraw/zinc/17/71/52/589177152.db2.gz XVPJXTAYCZLOGR-MRVPVSSYSA-N 1 2 223.276 0.719 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000862233884 589196065 /nfs/dbraw/zinc/19/60/65/589196065.db2.gz WNMWWWNOZJBPJH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000862233884 589196067 /nfs/dbraw/zinc/19/60/67/589196067.db2.gz WNMWWWNOZJBPJH-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1c(C[N@@H+](C)[C@@H]2CCNC2=O)ccnc1F ZINC000862254275 589197436 /nfs/dbraw/zinc/19/74/36/589197436.db2.gz XPNSMPZKUZFWKB-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO Cc1c(C[N@H+](C)[C@@H]2CCNC2=O)ccnc1F ZINC000862254275 589197437 /nfs/dbraw/zinc/19/74/37/589197437.db2.gz XPNSMPZKUZFWKB-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO COCCOC1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000862292477 589199910 /nfs/dbraw/zinc/19/99/10/589199910.db2.gz BKSVTQGZFHSPKK-UHFFFAOYSA-N 1 2 239.319 0.874 20 0 BCADLO COCCOC1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000862293698 589199978 /nfs/dbraw/zinc/19/99/78/589199978.db2.gz NGKHIFVDXQRNQE-UHFFFAOYSA-N 1 2 225.292 0.565 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(Cc3[nH]c(C)c(C)[nH+]3)C[C@@H]21 ZINC000862374923 589205581 /nfs/dbraw/zinc/20/55/81/589205581.db2.gz SWWIIQBAWNHYBA-IAZYJMLFSA-N 1 2 249.314 0.877 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc(C)c(C)[nH]3)C[C@@H]21 ZINC000862374923 589205582 /nfs/dbraw/zinc/20/55/82/589205582.db2.gz SWWIIQBAWNHYBA-IAZYJMLFSA-N 1 2 249.314 0.877 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc(C)c(C)[nH]3)C[C@@H]21 ZINC000862374923 589205583 /nfs/dbraw/zinc/20/55/83/589205583.db2.gz SWWIIQBAWNHYBA-IAZYJMLFSA-N 1 2 249.314 0.877 20 0 BCADLO Cc1[nH]c(CN2CC3(C2)CNC(=O)O3)[nH+]c1C ZINC000862397810 589208956 /nfs/dbraw/zinc/20/89/56/589208956.db2.gz XDVTUMDSNDSBDM-UHFFFAOYSA-N 1 2 236.275 0.321 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccns1 ZINC000862411169 589210682 /nfs/dbraw/zinc/21/06/82/589210682.db2.gz VIUQJMRKDOXLCX-UHFFFAOYSA-N 1 2 236.300 0.736 20 0 BCADLO COC/C(C)=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969207 589249369 /nfs/dbraw/zinc/24/93/69/589249369.db2.gz JSVDHAKESINUBG-YAEJEKNGSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C(C)=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969207 589249370 /nfs/dbraw/zinc/24/93/70/589249370.db2.gz JSVDHAKESINUBG-YAEJEKNGSA-N 1 2 242.319 0.026 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(F)=C1CCC1 ZINC000862970026 589249798 /nfs/dbraw/zinc/24/97/98/589249798.db2.gz RYSMJHSXZGSTQV-JTQLQIEISA-N 1 2 242.294 0.841 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(F)=C1CCC1 ZINC000862970026 589249799 /nfs/dbraw/zinc/24/97/99/589249799.db2.gz RYSMJHSXZGSTQV-JTQLQIEISA-N 1 2 242.294 0.841 20 0 BCADLO C/C=C(/C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969190 589250090 /nfs/dbraw/zinc/25/00/90/589250090.db2.gz BKRYGFRDOYZBBZ-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(/C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969190 589250091 /nfs/dbraw/zinc/25/00/91/589250091.db2.gz BKRYGFRDOYZBBZ-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO C/C(=C/C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000862972916 589250160 /nfs/dbraw/zinc/25/01/60/589250160.db2.gz HTLBECWCDBZOQT-MQGYJPLLSA-N 1 2 238.331 0.790 20 0 BCADLO C/C(=C/C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000862972916 589250162 /nfs/dbraw/zinc/25/01/62/589250162.db2.gz HTLBECWCDBZOQT-MQGYJPLLSA-N 1 2 238.331 0.790 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971090 589250460 /nfs/dbraw/zinc/25/04/60/589250460.db2.gz IURJKGVDKZMSGE-TYGHSQKFSA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971090 589250462 /nfs/dbraw/zinc/25/04/62/589250462.db2.gz IURJKGVDKZMSGE-TYGHSQKFSA-N 1 2 224.304 0.566 20 0 BCADLO COCc1nn(C[N@H+](C(C)C)C2CC2)c(=O)o1 ZINC000119231226 589252178 /nfs/dbraw/zinc/25/21/78/589252178.db2.gz VFPOLQMOIAXIDJ-UHFFFAOYSA-N 1 2 241.291 0.813 20 0 BCADLO COCc1nn(C[N@@H+](C(C)C)C2CC2)c(=O)o1 ZINC000119231226 589252180 /nfs/dbraw/zinc/25/21/80/589252180.db2.gz VFPOLQMOIAXIDJ-UHFFFAOYSA-N 1 2 241.291 0.813 20 0 BCADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000863456827 589289343 /nfs/dbraw/zinc/28/93/43/589289343.db2.gz KVNNQHUENWCMQH-VHSXEESVSA-N 1 2 227.308 0.473 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccncn3)no2)C1 ZINC000863457449 589289634 /nfs/dbraw/zinc/28/96/34/589289634.db2.gz HEMZIWULBBXKKI-SECBINFHSA-N 1 2 247.258 0.530 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(-c3ccncn3)no2)C1 ZINC000863457449 589289635 /nfs/dbraw/zinc/28/96/35/589289635.db2.gz HEMZIWULBBXKKI-SECBINFHSA-N 1 2 247.258 0.530 20 0 BCADLO COC1(C(N)=[NH+]OCCO)CCCC1 ZINC000863478808 589292107 /nfs/dbraw/zinc/29/21/07/589292107.db2.gz WWCGBWIZEMUKDG-UHFFFAOYSA-N 1 2 202.254 0.436 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478178 589292315 /nfs/dbraw/zinc/29/23/15/589292315.db2.gz FALRIZFPYPANRW-UHFFFAOYSA-N 1 2 243.307 0.580 20 0 BCADLO CCC[N@H+](C)Cn1nc(COC)oc1=O ZINC000119572489 589308999 /nfs/dbraw/zinc/30/89/99/589308999.db2.gz JYFLBTRGCKRUGT-UHFFFAOYSA-N 1 2 215.253 0.282 20 0 BCADLO CCC[N@@H+](C)Cn1nc(COC)oc1=O ZINC000119572489 589309000 /nfs/dbraw/zinc/30/90/00/589309000.db2.gz JYFLBTRGCKRUGT-UHFFFAOYSA-N 1 2 215.253 0.282 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000863734419 589313750 /nfs/dbraw/zinc/31/37/50/589313750.db2.gz PETPZMPGUFRESZ-YGOYTEALSA-N 1 2 235.287 0.324 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000864053589 589336215 /nfs/dbraw/zinc/33/62/15/589336215.db2.gz MPXZDNLOUJURNJ-QMMMGPOBSA-N 1 2 227.264 0.481 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000864082454 589341664 /nfs/dbraw/zinc/34/16/64/589341664.db2.gz OGNSRHCIXOONKN-SREGZZRCSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000864082454 589341665 /nfs/dbraw/zinc/34/16/65/589341665.db2.gz OGNSRHCIXOONKN-SREGZZRCSA-N 1 2 237.303 0.880 20 0 BCADLO CC/C=C(/F)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864083122 589341838 /nfs/dbraw/zinc/34/18/38/589341838.db2.gz ZEJVFXQZKVJHHB-BZFUBLJMSA-N 1 2 230.283 0.697 20 0 BCADLO CC/C=C(/F)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864083122 589341840 /nfs/dbraw/zinc/34/18/40/589341840.db2.gz ZEJVFXQZKVJHHB-BZFUBLJMSA-N 1 2 230.283 0.697 20 0 BCADLO C[C@H](O)c1cccc(N[C@@H]2CCOC[C@H]2O)[nH+]1 ZINC000864091314 589343602 /nfs/dbraw/zinc/34/36/02/589343602.db2.gz PRTXECUUBRPUSV-JMJZKYOTSA-N 1 2 238.287 0.697 20 0 BCADLO CC(C)Cc1cc(NC[C@H](O)[C@H](C)O)nc[nH+]1 ZINC000864093321 589344221 /nfs/dbraw/zinc/34/42/21/589344221.db2.gz NEHQOBCTOPHAPJ-ONGXEEELSA-N 1 2 239.319 0.829 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000864093164 589344391 /nfs/dbraw/zinc/34/43/91/589344391.db2.gz IYLQIPBFAAJHRC-XKSSXDPKSA-N 1 2 226.276 0.289 20 0 BCADLO C[NH+]1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC000864382531 589356690 /nfs/dbraw/zinc/35/66/90/589356690.db2.gz LTFSAFYECKMXFH-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000864389523 589357395 /nfs/dbraw/zinc/35/73/95/589357395.db2.gz IUNGXVJALPUPBB-XKSSXDPKSA-N 1 2 239.275 0.079 20 0 BCADLO CCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864408638 589359455 /nfs/dbraw/zinc/35/94/55/589359455.db2.gz AIMXYFISIZCBSN-SNAWJCMRSA-N 1 2 226.320 0.791 20 0 BCADLO CCONC(=O)CNC(=[NH2+])NC(CC)CC ZINC000864469735 589372942 /nfs/dbraw/zinc/37/29/42/589372942.db2.gz RWRBOQMOOZDISG-UHFFFAOYSA-N 1 2 230.312 0.357 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCC)CC(=O)NC ZINC000120169779 589388823 /nfs/dbraw/zinc/38/88/23/589388823.db2.gz XBAHTZZPUQKMII-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)NC ZINC000120169779 589388824 /nfs/dbraw/zinc/38/88/24/589388824.db2.gz XBAHTZZPUQKMII-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccccn1 ZINC000864677290 589388885 /nfs/dbraw/zinc/38/88/85/589388885.db2.gz KEXGDWASERRTMG-HYXAFXHYSA-N 1 2 247.298 0.909 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccccn1 ZINC000864677288 589389109 /nfs/dbraw/zinc/38/91/09/589389109.db2.gz KEXGDWASERRTMG-HWKANZROSA-N 1 2 247.298 0.909 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000864681433 589389458 /nfs/dbraw/zinc/38/94/58/589389458.db2.gz DYGVBWOLURYJAU-SNVBAGLBSA-N 1 2 223.276 0.844 20 0 BCADLO CCCCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864724911 589391370 /nfs/dbraw/zinc/39/13/70/589391370.db2.gz SQYDWCPKMWEWFB-VIFPVBQESA-N 1 2 211.265 0.702 20 0 BCADLO CC[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864761111 589392426 /nfs/dbraw/zinc/39/24/26/589392426.db2.gz GWILUSYIWSGABR-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO CC(C)CCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864812962 589395228 /nfs/dbraw/zinc/39/52/28/589395228.db2.gz JOLCYPNNPJJXCD-SNVBAGLBSA-N 1 2 225.292 0.948 20 0 BCADLO CCCCN(CCO)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864816894 589396280 /nfs/dbraw/zinc/39/62/80/589396280.db2.gz UEQYYGJADOMKEI-JTQLQIEISA-N 1 2 241.291 0.064 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864875723 589398772 /nfs/dbraw/zinc/39/87/72/589398772.db2.gz SFLJUDKFJSSTNH-JGLYPNHGSA-N 1 2 238.331 0.647 20 0 BCADLO O=C(C=CC[NH+]1CCOCC1)Nc1cn[nH]c1 ZINC000864863515 589399103 /nfs/dbraw/zinc/39/91/03/589399103.db2.gz TWWLJVQGOCIOCH-UPHRSURJSA-N 1 2 236.275 0.237 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cn[nH]c1 ZINC000864863515 589399105 /nfs/dbraw/zinc/39/91/05/589399105.db2.gz TWWLJVQGOCIOCH-UPHRSURJSA-N 1 2 236.275 0.237 20 0 BCADLO COC/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864883399 589399837 /nfs/dbraw/zinc/39/98/37/589399837.db2.gz APHMQYRFCPJHHO-XOULXFPDSA-N 1 2 223.276 0.590 20 0 BCADLO CCCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865045633 589406165 /nfs/dbraw/zinc/40/61/65/589406165.db2.gz DJKPNKAQZVHDGD-PLNGDYQASA-N 1 2 226.320 0.743 20 0 BCADLO CC(C)N(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000865151573 589411767 /nfs/dbraw/zinc/41/17/67/589411767.db2.gz QLDGBWDYENVIIS-JTQLQIEISA-N 1 2 223.276 0.843 20 0 BCADLO COC/C=C/C(=O)NCc1[nH+]ccn1C ZINC000865157890 589412032 /nfs/dbraw/zinc/41/20/32/589412032.db2.gz FBVRGAUGPNMQRI-ONEGZZNKSA-N 1 2 209.249 0.239 20 0 BCADLO Cc1cc(N2CCC(CO)(CO)CC2)nc[nH+]1 ZINC000865203896 589414137 /nfs/dbraw/zinc/41/41/37/589414137.db2.gz SZDVWLFDEJMLBC-UHFFFAOYSA-N 1 2 237.303 0.356 20 0 BCADLO CC(C)c1nc(N2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000865203808 589414306 /nfs/dbraw/zinc/41/43/06/589414306.db2.gz QYZOSVCOHAQODV-ZJUUUORDSA-N 1 2 237.303 0.532 20 0 BCADLO Nc1nc(NCCCO)nc(C2CCCC2)[nH+]1 ZINC000865397345 589431678 /nfs/dbraw/zinc/43/16/78/589431678.db2.gz FWERQADEKPVIBL-UHFFFAOYSA-N 1 2 237.307 0.906 20 0 BCADLO Nc1nc(NCCCO)[nH+]c(C2CCCC2)n1 ZINC000865397345 589431679 /nfs/dbraw/zinc/43/16/79/589431679.db2.gz FWERQADEKPVIBL-UHFFFAOYSA-N 1 2 237.307 0.906 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cn1nc(CO)n(C)c1=S ZINC000120550994 589434496 /nfs/dbraw/zinc/43/44/96/589434496.db2.gz FTLBTFZQFGSTTK-QMMMGPOBSA-N 1 2 242.348 0.885 20 0 BCADLO C[C@H]1CCC[N@H+]1Cn1nc(CO)n(C)c1=S ZINC000120550994 589434498 /nfs/dbraw/zinc/43/44/98/589434498.db2.gz FTLBTFZQFGSTTK-QMMMGPOBSA-N 1 2 242.348 0.885 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(F)nn1 ZINC000865444091 589436507 /nfs/dbraw/zinc/43/65/07/589436507.db2.gz SAUBLOLREVCTFM-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO Cc1nc(N[C@H](CCO)C2CC2)nc(N)[nH+]1 ZINC000865552992 589445804 /nfs/dbraw/zinc/44/58/04/589445804.db2.gz QMJHTBLWWCVZTK-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@H](CCO)C2CC2)[nH+]1 ZINC000865552992 589445805 /nfs/dbraw/zinc/44/58/05/589445805.db2.gz QMJHTBLWWCVZTK-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO C[C@@H](O)c1ccc(N(CCO)CCCO)[nH+]c1 ZINC000865560556 589447170 /nfs/dbraw/zinc/44/71/70/589447170.db2.gz CRQZYIMKZGEKJF-SNVBAGLBSA-N 1 2 240.303 0.316 20 0 BCADLO C[C@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)[nH+]c1 ZINC000865647020 589454213 /nfs/dbraw/zinc/45/42/13/589454213.db2.gz LXOVMIUIJZCSHJ-WCBMZHEXSA-N 1 2 235.287 0.460 20 0 BCADLO CCCNc1cc(N(C)[C@H]2CCNC2=O)nc[nH+]1 ZINC000865646728 589454321 /nfs/dbraw/zinc/45/43/21/589454321.db2.gz DARYCNLSIPTZCR-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N(C)[C@H]2CCNC2=O)[nH+]cn1 ZINC000865646728 589454323 /nfs/dbraw/zinc/45/43/23/589454323.db2.gz DARYCNLSIPTZCR-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CC[C@H](C)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865697106 589456866 /nfs/dbraw/zinc/45/68/66/589456866.db2.gz VNEBFRQLWMTHJK-WCBMZHEXSA-N 1 2 225.292 0.948 20 0 BCADLO CC[C@]1(C(=O)Nc2cc[nH+]c(C)c2)CCNC1=O ZINC000865742190 589460059 /nfs/dbraw/zinc/46/00/59/589460059.db2.gz WTWYLNNJCMSFHM-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO CC(C)Cc1cc(NC[C@@](C)(O)CO)nc[nH+]1 ZINC000865749195 589460815 /nfs/dbraw/zinc/46/08/15/589460815.db2.gz PJFOBVPXYPSEQK-GFCCVEGCSA-N 1 2 239.319 0.830 20 0 BCADLO C[C@@H](O)c1ccc(N[C@H](CO)[C@@H](C)O)[nH+]c1 ZINC000865870809 589466161 /nfs/dbraw/zinc/46/61/61/589466161.db2.gz BEXJIQOQDWEODP-NQMVMOMDSA-N 1 2 226.276 0.289 20 0 BCADLO COc1nccnc1CNCc1c[nH+]cn1C ZINC000865881876 589467323 /nfs/dbraw/zinc/46/73/23/589467323.db2.gz NJLZQAUCUZCRSH-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CCCNc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000865909447 589468302 /nfs/dbraw/zinc/46/83/02/589468302.db2.gz QUPMCKLIBDLUTK-DTORHVGOSA-N 1 2 249.318 0.974 20 0 BCADLO CCCNc1cc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000865909447 589468303 /nfs/dbraw/zinc/46/83/03/589468303.db2.gz QUPMCKLIBDLUTK-DTORHVGOSA-N 1 2 249.318 0.974 20 0 BCADLO CC1(C)CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000866003207 589472257 /nfs/dbraw/zinc/47/22/57/589472257.db2.gz HQIBXEWUIGQPAE-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CC(C)c1nc(NC[C@H](O)[C@H](C)O)cc[nH+]1 ZINC000866108497 589476551 /nfs/dbraw/zinc/47/65/51/589476551.db2.gz HEDJICPEBRYCMJ-IUCAKERBSA-N 1 2 225.292 0.754 20 0 BCADLO C[C@H](O)[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000866108647 589476644 /nfs/dbraw/zinc/47/66/44/589476644.db2.gz CMJXXKZMKSRILJ-QPUJVOFHSA-N 1 2 233.271 0.205 20 0 BCADLO CN(C(=O)/C=C/C[NH+]1CCOCC1)C1CCC1 ZINC000866109469 589476828 /nfs/dbraw/zinc/47/68/28/589476828.db2.gz JCUFGWCWBZWNRM-ZZXKWVIFSA-N 1 2 238.331 0.886 20 0 BCADLO C[C@H](O)[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000866111880 589477093 /nfs/dbraw/zinc/47/70/93/589477093.db2.gz NAFFCVBNGSYAIE-CBAPKCEASA-N 1 2 238.291 0.205 20 0 BCADLO C[C@H](O)[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000866111880 589477094 /nfs/dbraw/zinc/47/70/94/589477094.db2.gz NAFFCVBNGSYAIE-CBAPKCEASA-N 1 2 238.291 0.205 20 0 BCADLO COC(=O)C1(O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000866269650 589483920 /nfs/dbraw/zinc/48/39/20/589483920.db2.gz XITZHNRZGJXYOY-UHFFFAOYSA-N 1 2 249.270 0.078 20 0 BCADLO CC1CC(NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866316608 589486076 /nfs/dbraw/zinc/48/60/76/589486076.db2.gz SZBMQXWHZILETM-IHWYPQMZSA-N 1 2 238.331 0.790 20 0 BCADLO CC1CC(NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866316609 589486108 /nfs/dbraw/zinc/48/61/08/589486108.db2.gz SZBMQXWHZILETM-NSCUHMNNSA-N 1 2 238.331 0.790 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689393 589512196 /nfs/dbraw/zinc/51/21/96/589512196.db2.gz HXTMLKQDSVHEBP-UHFFFAOYSA-N 1 2 249.314 0.551 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689393 589512198 /nfs/dbraw/zinc/51/21/98/589512198.db2.gz HXTMLKQDSVHEBP-UHFFFAOYSA-N 1 2 249.314 0.551 20 0 BCADLO COC/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866744716 589517236 /nfs/dbraw/zinc/51/72/36/589517236.db2.gz PHJIVIJYGKNIRE-HYXAFXHYSA-N 1 2 237.303 0.934 20 0 BCADLO CC(C)CN(C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000867537833 589524648 /nfs/dbraw/zinc/52/46/48/589524648.db2.gz CDAOYFCJDKZLON-LLVKDONJSA-N 1 2 243.351 0.303 20 0 BCADLO CC(C)CN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000867537833 589524649 /nfs/dbraw/zinc/52/46/49/589524649.db2.gz CDAOYFCJDKZLON-LLVKDONJSA-N 1 2 243.351 0.303 20 0 BCADLO CO[C@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867675635 589530285 /nfs/dbraw/zinc/53/02/85/589530285.db2.gz AIQDVFPPXSGKOD-PGLGOXFNSA-N 1 2 242.319 0.026 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000867938499 589540514 /nfs/dbraw/zinc/54/05/14/589540514.db2.gz JJRBQTKHZFEBHQ-XVGAQQEPSA-N 1 2 238.331 0.884 20 0 BCADLO CC1=C[C@H](C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867984024 589542183 /nfs/dbraw/zinc/54/21/83/589542183.db2.gz LXKBJCLZUUTLIV-GZMMTYOYSA-N 1 2 235.287 0.868 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)[C@@H](C)O1 ZINC000868412863 589557122 /nfs/dbraw/zinc/55/71/22/589557122.db2.gz KAGQJVGDZYIXHD-KKZNHRDASA-N 1 2 237.303 0.850 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000868412733 589557307 /nfs/dbraw/zinc/55/73/07/589557307.db2.gz GINDXRPZTNUUPR-YPMHNXCESA-N 1 2 249.314 0.996 20 0 BCADLO Cc1conc1C(=O)NCc1c[nH+]cn1C ZINC000868412791 589557866 /nfs/dbraw/zinc/55/78/66/589557866.db2.gz IKSBVETYLFDZFD-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868533438 589563026 /nfs/dbraw/zinc/56/30/26/589563026.db2.gz CTOYDIDMLBATNE-SECBINFHSA-N 1 2 241.291 0.327 20 0 BCADLO C[C@@H](CF)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868546496 589563599 /nfs/dbraw/zinc/56/35/99/589563599.db2.gz DSLDFOREUBJJFI-ZMWSMAPVSA-N 1 2 230.283 0.349 20 0 BCADLO C[C@@H](CF)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868546495 589563609 /nfs/dbraw/zinc/56/36/09/589563609.db2.gz DSLDFOREUBJJFI-PBKGFPTLSA-N 1 2 230.283 0.349 20 0 BCADLO Nc1cccnc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620203 589568335 /nfs/dbraw/zinc/56/83/35/589568335.db2.gz PJKQELOFNLAPLA-SECBINFHSA-N 1 2 243.270 0.735 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NOC1CCC1 ZINC000868658686 589570804 /nfs/dbraw/zinc/57/08/04/589570804.db2.gz DSMSYLXUDMVTOP-GORDUTHDSA-N 1 2 240.303 0.475 20 0 BCADLO CC(C)ONC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868659491 589571228 /nfs/dbraw/zinc/57/12/28/589571228.db2.gz XWAVLBVQFQLDDY-ONEGZZNKSA-N 1 2 228.292 0.331 20 0 BCADLO CC/C=C\CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868678612 589572426 /nfs/dbraw/zinc/57/24/26/589572426.db2.gz AYKCFMUCDIQRSF-DNVGVPOPSA-N 1 2 238.331 0.957 20 0 BCADLO CC(C)(C)C1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868835787 589578737 /nfs/dbraw/zinc/57/87/37/589578737.db2.gz PVXNKLSSONREPO-JTQLQIEISA-N 1 2 237.303 0.948 20 0 BCADLO C/C=C\CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869456380 589607022 /nfs/dbraw/zinc/60/70/22/589607022.db2.gz MPLBOGBWDSSCGU-AWYLAFAOSA-N 1 2 224.304 0.567 20 0 BCADLO C/C=C/CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869456382 589607091 /nfs/dbraw/zinc/60/70/91/589607091.db2.gz MPLBOGBWDSSCGU-IAROGAJJSA-N 1 2 224.304 0.567 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C1(F)CCOCC1 ZINC000870220239 589650227 /nfs/dbraw/zinc/65/02/27/589650227.db2.gz RERWBGWLSBWPAQ-UHFFFAOYSA-N 1 2 242.250 0.982 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCC(=O)O1 ZINC000870331529 589659269 /nfs/dbraw/zinc/65/92/69/589659269.db2.gz RYMDSHNNZHESLO-DTWKUNHWSA-N 1 2 245.250 0.279 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCC(=O)O1 ZINC000870331529 589659270 /nfs/dbraw/zinc/65/92/70/589659270.db2.gz RYMDSHNNZHESLO-DTWKUNHWSA-N 1 2 245.250 0.279 20 0 BCADLO CC[C@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870679109 589683165 /nfs/dbraw/zinc/68/31/65/589683165.db2.gz FXTYLCCLKZEVJC-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CO[C@@H]1CC[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870730123 589687734 /nfs/dbraw/zinc/68/77/34/589687734.db2.gz ZMLOZGUHBMPJSU-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(NC1COC1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000870870978 589693044 /nfs/dbraw/zinc/69/30/44/589693044.db2.gz SBKUBNZRVZRXON-MRVPVSSYSA-N 1 2 248.273 0.479 20 0 BCADLO O=C(NC1COC1)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000870870978 589693046 /nfs/dbraw/zinc/69/30/46/589693046.db2.gz SBKUBNZRVZRXON-MRVPVSSYSA-N 1 2 248.273 0.479 20 0 BCADLO Cc1nc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)no1 ZINC000123387556 589695520 /nfs/dbraw/zinc/69/55/20/589695520.db2.gz IRVKTPNCGAOMOF-QMMMGPOBSA-N 1 2 249.274 0.641 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1CC2(CSC2)C1 ZINC000871505698 589759700 /nfs/dbraw/zinc/75/97/00/589759700.db2.gz RUBBJBCNEMWECU-UHFFFAOYSA-N 1 2 237.328 0.895 20 0 BCADLO COC(=O)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871550582 589767558 /nfs/dbraw/zinc/76/75/58/589767558.db2.gz DWDPBUBKNSVFTP-UHFFFAOYSA-N 1 2 237.259 0.020 20 0 BCADLO NC(CCO)=[NH+]O[C@@H]1CCN(C2CCC2)C1=O ZINC000871742226 589802458 /nfs/dbraw/zinc/80/24/58/589802458.db2.gz KZYZOCVCTSFDBV-SECBINFHSA-N 1 2 241.291 0.021 20 0 BCADLO CN1CC[C@@H](O[NH+]=C(N)COC2CCC2)C1=O ZINC000871776599 589814035 /nfs/dbraw/zinc/81/40/35/589814035.db2.gz XIMCUCSNQIBKHP-SECBINFHSA-N 1 2 241.291 0.285 20 0 BCADLO COCCO[NH+]=C(N)COC1CCC1 ZINC000871775477 589814127 /nfs/dbraw/zinc/81/41/27/589814127.db2.gz KZALTYYGOGVCJG-UHFFFAOYSA-N 1 2 202.254 0.700 20 0 BCADLO O=c1c2c([nH]n1-c1ccnc(F)c1)CC[NH2+]C2 ZINC000871953677 589842843 /nfs/dbraw/zinc/84/28/43/589842843.db2.gz YVUMJGAHVNQWRM-QMMMGPOBSA-N 1 2 234.234 0.533 20 0 BCADLO COC[C@@H](C)[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000872097913 589869580 /nfs/dbraw/zinc/86/95/80/589869580.db2.gz CUDYALVYXYNEDY-PSLIRLAXSA-N 1 2 235.353 0.230 20 0 BCADLO Cc1nonc1CN[C@H](C)c1[nH]cc[nH+]1 ZINC000872135703 589879222 /nfs/dbraw/zinc/87/92/22/589879222.db2.gz HWHXUGXZAONYDH-SSDOTTSWSA-N 1 2 207.237 0.952 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)[C@H]2CCOC2=O)C1=O ZINC000872263022 589901840 /nfs/dbraw/zinc/90/18/40/589901840.db2.gz HKKSLQFBCSBKGN-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)[C@H]2CCOC2=O)C1=O ZINC000872263022 589901842 /nfs/dbraw/zinc/90/18/42/589901842.db2.gz HKKSLQFBCSBKGN-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1OCC2 ZINC000872274065 589904199 /nfs/dbraw/zinc/90/41/99/589904199.db2.gz KWRIMRUKFHBHHH-PWSUYJOCSA-N 1 2 235.287 0.711 20 0 BCADLO COCC[N@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872568623 589953085 /nfs/dbraw/zinc/95/30/85/589953085.db2.gz IIFALVCMGKFEAC-NSHDSACASA-N 1 2 241.335 0.812 20 0 BCADLO COCC[N@@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872568623 589953087 /nfs/dbraw/zinc/95/30/87/589953087.db2.gz IIFALVCMGKFEAC-NSHDSACASA-N 1 2 241.335 0.812 20 0 BCADLO CCONC(=O)CNc1cc[nH+]cc1C1CC1 ZINC000872587602 589955079 /nfs/dbraw/zinc/95/50/79/589955079.db2.gz RNTBKPWEBAOETI-UHFFFAOYSA-N 1 2 235.287 0.861 20 0 BCADLO CONC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000872651311 589958759 /nfs/dbraw/zinc/95/87/59/589958759.db2.gz CJRPAONRYYBRHW-UHFFFAOYSA-N 1 2 235.287 0.976 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNc1nnc(C)o1 ZINC000872773463 589967427 /nfs/dbraw/zinc/96/74/27/589967427.db2.gz MAPMNHMWUZGMKN-JTQLQIEISA-N 1 2 240.307 0.901 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNc1nnc(C)o1 ZINC000872773463 589967429 /nfs/dbraw/zinc/96/74/29/589967429.db2.gz MAPMNHMWUZGMKN-JTQLQIEISA-N 1 2 240.307 0.901 20 0 BCADLO C[C@@H](O)c1ccc(N(C)[C@H](C)CO)[nH+]c1 ZINC000124370425 589981737 /nfs/dbraw/zinc/98/17/37/589981737.db2.gz CGQLPCQWAPPYSI-RKDXNWHRSA-N 1 2 210.277 0.952 20 0 BCADLO C[C@H](CO)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124381685 589983443 /nfs/dbraw/zinc/98/34/43/589983443.db2.gz CGQLPCQWAPPYSI-BDAKNGLRSA-N 1 2 210.277 0.952 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccon1 ZINC000873143936 589986298 /nfs/dbraw/zinc/98/62/98/589986298.db2.gz AFBJSTBZGOVCMC-ZETCQYMHSA-N 1 2 213.237 0.173 20 0 BCADLO C[C@@]1(C(=O)OCc2cc[nH+]c(N)c2)CCC(=O)N1 ZINC000873458045 590045592 /nfs/dbraw/zinc/04/55/92/590045592.db2.gz MRNHINQIGZKXTH-LBPRGKRZSA-N 1 2 249.270 0.376 20 0 BCADLO C[NH+](C)CC1(C(=O)NO[C@@H]2CCCCO2)CC1 ZINC000874261886 590100451 /nfs/dbraw/zinc/10/04/51/590100451.db2.gz AYZSQYRBCAQOEY-SNVBAGLBSA-N 1 2 242.319 0.903 20 0 BCADLO COC(OC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000874461937 590112713 /nfs/dbraw/zinc/11/27/13/590112713.db2.gz XJEOMRIYCSWPCI-UHFFFAOYSA-N 1 2 235.243 0.892 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ncccn1 ZINC000888674743 590166757 /nfs/dbraw/zinc/16/67/57/590166757.db2.gz JZWFUBIYMUYWCQ-SECBINFHSA-N 1 2 246.274 0.883 20 0 BCADLO O=C(Nc1ncccn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000888709973 590191495 /nfs/dbraw/zinc/19/14/95/590191495.db2.gz YMPNQVWBWMCSNJ-QMMMGPOBSA-N 1 2 244.258 0.420 20 0 BCADLO CCCn1cc(C[N@@H+]2CCC[C@H](O)C2)nn1 ZINC000876528406 590209047 /nfs/dbraw/zinc/20/90/47/590209047.db2.gz XHTVJZBXBZDPKW-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1cc(C[N@H+]2CCC[C@H](O)C2)nn1 ZINC000876528406 590209049 /nfs/dbraw/zinc/20/90/49/590209049.db2.gz XHTVJZBXBZDPKW-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO O=C1C[N@H+](Cc2ccns2)CCCN1 ZINC000876639140 590225179 /nfs/dbraw/zinc/22/51/79/590225179.db2.gz ARJKLLQAGAPXBZ-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO O=C1C[N@@H+](Cc2ccns2)CCCN1 ZINC000876639140 590225181 /nfs/dbraw/zinc/22/51/81/590225181.db2.gz ARJKLLQAGAPXBZ-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc(Cl)nn1)C2 ZINC000877461744 590331748 /nfs/dbraw/zinc/33/17/48/590331748.db2.gz JRBNCRFRHZBLNT-KCJUWKMLSA-N 1 2 239.706 0.944 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Cl)nn1)C2 ZINC000877461744 590331751 /nfs/dbraw/zinc/33/17/51/590331751.db2.gz JRBNCRFRHZBLNT-KCJUWKMLSA-N 1 2 239.706 0.944 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(Cl)cs1)C(N)=O ZINC000877480588 590337029 /nfs/dbraw/zinc/33/70/29/590337029.db2.gz ADMNQZFWVZSYMZ-SCSAIBSYSA-N 1 2 219.697 0.760 20 0 BCADLO CO[C@@H](CC(C)C)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000877596818 590370046 /nfs/dbraw/zinc/37/00/46/590370046.db2.gz UNCLURHUJRBNDP-JTQLQIEISA-N 1 2 242.319 0.842 20 0 BCADLO O=C1NCC2(C[NH+](CCC[C@H]3CCO3)C2)O1 ZINC000877596182 590370248 /nfs/dbraw/zinc/37/02/48/590370248.db2.gz ISPOPVDCHFDZEN-VIFPVBQESA-N 1 2 226.276 0.350 20 0 BCADLO CC[C@@](C)(C[NH+]1CC2(C1)CN(C)C(=O)O2)OC ZINC000877595787 590370580 /nfs/dbraw/zinc/37/05/80/590370580.db2.gz HZSGKAUWAWOCHB-NSHDSACASA-N 1 2 242.319 0.938 20 0 BCADLO CO[C@H](C[NH+]1CC2(C1)CN(C)C(=O)O2)C1CC1 ZINC000877595541 590370676 /nfs/dbraw/zinc/37/06/76/590370676.db2.gz DKTKZPWAPYNXIT-SNVBAGLBSA-N 1 2 240.303 0.548 20 0 BCADLO CCCn1cc(C[N@H+](C)C2(CO)CC2)nn1 ZINC000877641922 590382491 /nfs/dbraw/zinc/38/24/91/590382491.db2.gz LIPIWCJUCIPFAI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1cc(C[N@@H+](C)C2(CO)CC2)nn1 ZINC000877641922 590382493 /nfs/dbraw/zinc/38/24/93/590382493.db2.gz LIPIWCJUCIPFAI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO COC(=O)c1occc1C[NH2+]C1(C)COC1 ZINC000877690583 590392863 /nfs/dbraw/zinc/39/28/63/590392863.db2.gz BKKAZPLCKWWHRW-UHFFFAOYSA-N 1 2 225.244 0.945 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cccnc2Cl)C[C@@H]1O ZINC000877748620 590412574 /nfs/dbraw/zinc/41/25/74/590412574.db2.gz HQYQTKPWTARXTM-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@@H]1O ZINC000877748620 590412575 /nfs/dbraw/zinc/41/25/75/590412575.db2.gz HQYQTKPWTARXTM-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC000877748634 590412793 /nfs/dbraw/zinc/41/27/93/590412793.db2.gz IQRTVZIXOLZNGZ-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC000877748634 590412794 /nfs/dbraw/zinc/41/27/94/590412794.db2.gz IQRTVZIXOLZNGZ-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1Cl ZINC000877750527 590414016 /nfs/dbraw/zinc/41/40/16/590414016.db2.gz SBVOVDBVVIFBNZ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1Cl ZINC000877750527 590414017 /nfs/dbraw/zinc/41/40/17/590414017.db2.gz SBVOVDBVVIFBNZ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO COc1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877750492 590414590 /nfs/dbraw/zinc/41/45/90/590414590.db2.gz QZCSOVHCCOFGOM-BDAKNGLRSA-N 1 2 244.316 0.079 20 0 BCADLO COc1ncc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877750492 590414594 /nfs/dbraw/zinc/41/45/94/590414594.db2.gz QZCSOVHCCOFGOM-BDAKNGLRSA-N 1 2 244.316 0.079 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@@H+](CC3(F)CC3)C[C@H]2C1 ZINC000877790861 590424148 /nfs/dbraw/zinc/42/41/48/590424148.db2.gz OOHKPPLFDHFGKF-UWVGGRQHSA-N 1 2 247.335 0.855 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@H+](CC3(F)CC3)C[C@H]2C1 ZINC000877790861 590424150 /nfs/dbraw/zinc/42/41/50/590424150.db2.gz OOHKPPLFDHFGKF-UWVGGRQHSA-N 1 2 247.335 0.855 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797587 590424799 /nfs/dbraw/zinc/42/47/99/590424799.db2.gz KTTHRNCGXMLLON-UHFFFAOYSA-N 1 2 239.319 0.285 20 0 BCADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)c(C)o1 ZINC000877827426 590428772 /nfs/dbraw/zinc/42/87/72/590428772.db2.gz UFVVCGDZQXQAKB-UHFFFAOYSA-N 1 2 246.332 0.617 20 0 BCADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)c(C)o1 ZINC000877827426 590428774 /nfs/dbraw/zinc/42/87/74/590428774.db2.gz UFVVCGDZQXQAKB-UHFFFAOYSA-N 1 2 246.332 0.617 20 0 BCADLO CCc1ccc(C[N@H+](C)CCS(N)(=O)=O)o1 ZINC000877827225 590429336 /nfs/dbraw/zinc/42/93/36/590429336.db2.gz PSTWMHOKHYLAKI-UHFFFAOYSA-N 1 2 246.332 0.562 20 0 BCADLO CCc1ccc(C[N@@H+](C)CCS(N)(=O)=O)o1 ZINC000877827225 590429337 /nfs/dbraw/zinc/42/93/37/590429337.db2.gz PSTWMHOKHYLAKI-UHFFFAOYSA-N 1 2 246.332 0.562 20 0 BCADLO O=C1C[N@H+](C[C@H]2CC3(CCC3)CO2)CCN1 ZINC000877905939 590444464 /nfs/dbraw/zinc/44/44/64/590444464.db2.gz GIOIANSOYCLAHB-SNVBAGLBSA-N 1 2 224.304 0.377 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCN1 ZINC000877905939 590444465 /nfs/dbraw/zinc/44/44/65/590444465.db2.gz GIOIANSOYCLAHB-SNVBAGLBSA-N 1 2 224.304 0.377 20 0 BCADLO CC1(C)CC[C@@H](C[N@@H+]2CCNC(=O)C2)OC1 ZINC000877906052 590444635 /nfs/dbraw/zinc/44/46/35/590444635.db2.gz GSBPZPMYZHUFBY-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)CC[C@@H](C[N@H+]2CCNC(=O)C2)OC1 ZINC000877906052 590444638 /nfs/dbraw/zinc/44/46/38/590444638.db2.gz GSBPZPMYZHUFBY-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO COC(=O)C[N@H+](C)CC[C@@H](O)C(C)C ZINC000877921967 590446351 /nfs/dbraw/zinc/44/63/51/590446351.db2.gz RBHSQPYOQAKFGD-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO COC(=O)C[N@@H+](C)CC[C@@H](O)C(C)C ZINC000877921967 590446353 /nfs/dbraw/zinc/44/63/53/590446353.db2.gz RBHSQPYOQAKFGD-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO C[C@@H]1CCCC[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000877936007 590452421 /nfs/dbraw/zinc/45/24/21/590452421.db2.gz QBFXHLNYSOEVFS-SECBINFHSA-N 1 2 247.302 0.792 20 0 BCADLO C[C@@H]1CCCC[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000877936007 590452423 /nfs/dbraw/zinc/45/24/23/590452423.db2.gz QBFXHLNYSOEVFS-SECBINFHSA-N 1 2 247.302 0.792 20 0 BCADLO CN(CC(N)=O)Cc1[nH+]ccn1CC(F)F ZINC000877960560 590458812 /nfs/dbraw/zinc/45/88/12/590458812.db2.gz TYIPQCVEWINTSM-UHFFFAOYSA-N 1 2 232.234 0.065 20 0 BCADLO Cn1ccn2c(C[N@H+](C)CC3CC3)nnc2c1=O ZINC000877972817 590463290 /nfs/dbraw/zinc/46/32/90/590463290.db2.gz PAJKBIMSZWMJSZ-UHFFFAOYSA-N 1 2 247.302 0.270 20 0 BCADLO Cn1ccn2c(C[N@@H+](C)CC3CC3)nnc2c1=O ZINC000877972817 590463292 /nfs/dbraw/zinc/46/32/92/590463292.db2.gz PAJKBIMSZWMJSZ-UHFFFAOYSA-N 1 2 247.302 0.270 20 0 BCADLO C[N@H+](CCn1cnnn1)Cc1cscn1 ZINC000877995604 590468712 /nfs/dbraw/zinc/46/87/12/590468712.db2.gz HPTZNILAQCQANV-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO C[N@@H+](CCn1cnnn1)Cc1cscn1 ZINC000877995604 590468714 /nfs/dbraw/zinc/46/87/14/590468714.db2.gz HPTZNILAQCQANV-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO CCC[N@H+](CC)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878002100 590470057 /nfs/dbraw/zinc/47/00/57/590470057.db2.gz NFOLTJDPSCZDOV-INIZCTEOSA-N 1 2 249.380 0.819 20 0 BCADLO CCC[N@@H+](CC)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878002100 590470059 /nfs/dbraw/zinc/47/00/59/590470059.db2.gz NFOLTJDPSCZDOV-INIZCTEOSA-N 1 2 249.380 0.819 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878040729 590478314 /nfs/dbraw/zinc/47/83/14/590478314.db2.gz MYZWPJXAEVMQGL-NOOOWODRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878040729 590478316 /nfs/dbraw/zinc/47/83/16/590478316.db2.gz MYZWPJXAEVMQGL-NOOOWODRSA-N 1 2 238.331 0.764 20 0 BCADLO CC(C)[C@@H](O)CC[N@H+](C)CCS(C)(=O)=O ZINC000878044149 590479288 /nfs/dbraw/zinc/47/92/88/590479288.db2.gz FWKRQEZKEXRJSW-JTQLQIEISA-N 1 2 237.365 0.370 20 0 BCADLO CC(C)[C@@H](O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000878044149 590479290 /nfs/dbraw/zinc/47/92/90/590479290.db2.gz FWKRQEZKEXRJSW-JTQLQIEISA-N 1 2 237.365 0.370 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1cc[nH]c(=O)c1 ZINC000878046890 590480381 /nfs/dbraw/zinc/48/03/81/590480381.db2.gz LHUFYSHNTNHFJW-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1cc[nH]c(=O)c1 ZINC000878046890 590480382 /nfs/dbraw/zinc/48/03/82/590480382.db2.gz LHUFYSHNTNHFJW-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000878053761 590483703 /nfs/dbraw/zinc/48/37/03/590483703.db2.gz OHZDYDCTRSMSHC-JTQLQIEISA-N 1 2 235.287 0.395 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000878053761 590483704 /nfs/dbraw/zinc/48/37/04/590483704.db2.gz OHZDYDCTRSMSHC-JTQLQIEISA-N 1 2 235.287 0.395 20 0 BCADLO COCC[N@H+](CC[C@@H](O)C(C)C)CC(=O)OC ZINC000878103561 590494577 /nfs/dbraw/zinc/49/45/77/590494577.db2.gz OXVUFOURRMJBCM-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO COCC[N@@H+](CC[C@@H](O)C(C)C)CC(=O)OC ZINC000878103561 590494580 /nfs/dbraw/zinc/49/45/80/590494580.db2.gz OXVUFOURRMJBCM-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)CC1=O ZINC000878123849 590500016 /nfs/dbraw/zinc/50/00/16/590500016.db2.gz CRRGOGGERKUGPH-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC1=O ZINC000878123849 590500017 /nfs/dbraw/zinc/50/00/17/590500017.db2.gz CRRGOGGERKUGPH-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)CC1=O ZINC000878125391 590501283 /nfs/dbraw/zinc/50/12/83/590501283.db2.gz NPKUVRDKDUVOIX-NSHDSACASA-N 1 2 238.331 0.720 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC1=O ZINC000878125391 590501285 /nfs/dbraw/zinc/50/12/85/590501285.db2.gz NPKUVRDKDUVOIX-NSHDSACASA-N 1 2 238.331 0.720 20 0 BCADLO CN1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1=O ZINC000878126412 590501730 /nfs/dbraw/zinc/50/17/30/590501730.db2.gz XCJKHNHEDVQNLL-GRYCIOLGSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1=O ZINC000878126412 590501732 /nfs/dbraw/zinc/50/17/32/590501732.db2.gz XCJKHNHEDVQNLL-GRYCIOLGSA-N 1 2 238.331 0.718 20 0 BCADLO CC1(C)CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878148970 590505849 /nfs/dbraw/zinc/50/58/49/590505849.db2.gz LENUBNVGSOSDIA-UHFFFAOYSA-N 1 2 247.302 0.650 20 0 BCADLO CC1(C)CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878148970 590505851 /nfs/dbraw/zinc/50/58/51/590505851.db2.gz LENUBNVGSOSDIA-UHFFFAOYSA-N 1 2 247.302 0.650 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+](C)Cc2nnc[nH]2)C1 ZINC000878177443 590515901 /nfs/dbraw/zinc/51/59/01/590515901.db2.gz VZBZJUOMUXXYOL-DTORHVGOSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2nnc[nH]2)C1 ZINC000878177443 590515903 /nfs/dbraw/zinc/51/59/03/590515903.db2.gz VZBZJUOMUXXYOL-DTORHVGOSA-N 1 2 210.281 0.662 20 0 BCADLO O[C@H](Cn1cc[nH+]c1)CC1(O)CCCC1 ZINC000878208519 590524052 /nfs/dbraw/zinc/52/40/52/590524052.db2.gz VWQBTYVHNFERBY-JTQLQIEISA-N 1 2 210.277 0.939 20 0 BCADLO CC[C@H](C)[N@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878234027 590526987 /nfs/dbraw/zinc/52/69/87/590526987.db2.gz QYCUGFPQZAQQPM-FVMDXXJSSA-N 1 2 249.380 0.818 20 0 BCADLO CC[C@H](C)[N@@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878234027 590526988 /nfs/dbraw/zinc/52/69/88/590526988.db2.gz QYCUGFPQZAQQPM-FVMDXXJSSA-N 1 2 249.380 0.818 20 0 BCADLO CN(CC(=O)N=S(C)(C)=O)Cc1[nH]cc[nH+]1 ZINC000878315078 590541752 /nfs/dbraw/zinc/54/17/52/590541752.db2.gz FOFILJZEZPRLFE-UHFFFAOYSA-N 1 2 244.320 0.096 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC(C)(C)O ZINC000878315003 590542319 /nfs/dbraw/zinc/54/23/19/590542319.db2.gz CSORLUHOTQOENB-VIFPVBQESA-N 1 2 227.308 0.363 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC(C)(C)O ZINC000878315003 590542320 /nfs/dbraw/zinc/54/23/20/590542320.db2.gz CSORLUHOTQOENB-VIFPVBQESA-N 1 2 227.308 0.363 20 0 BCADLO Cn1ccn2c(C[N@@H+]3CC[C@@H]4C[C@@H]43)nnc2c1=O ZINC000878316697 590543006 /nfs/dbraw/zinc/54/30/06/590543006.db2.gz LYXVZZCZLDFFCX-BDAKNGLRSA-N 1 2 245.286 0.022 20 0 BCADLO Cn1ccn2c(C[N@H+]3CC[C@@H]4C[C@@H]43)nnc2c1=O ZINC000878316697 590543007 /nfs/dbraw/zinc/54/30/07/590543007.db2.gz LYXVZZCZLDFFCX-BDAKNGLRSA-N 1 2 245.286 0.022 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000878323914 590545908 /nfs/dbraw/zinc/54/59/08/590545908.db2.gz FFNYOWNOORQMSL-MRVPVSSYSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000878323914 590545910 /nfs/dbraw/zinc/54/59/10/590545910.db2.gz FFNYOWNOORQMSL-MRVPVSSYSA-N 1 2 224.264 0.226 20 0 BCADLO O=C(COC1CC1)NCCCCn1cc[nH+]c1 ZINC000878368574 590555041 /nfs/dbraw/zinc/55/50/41/590555041.db2.gz KZMYSVFJRDRFBO-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CN1CN(Cc2[nH+]ccn2CC(F)F)CC1=O ZINC000878376929 590556866 /nfs/dbraw/zinc/55/68/66/590556866.db2.gz GDLZJSSPPHQGMI-UHFFFAOYSA-N 1 2 244.245 0.380 20 0 BCADLO NC(=O)C1([NH2+]Cc2scnc2Cl)CC1 ZINC000878384278 590558222 /nfs/dbraw/zinc/55/82/22/590558222.db2.gz BAPVTBLFRFNRQY-UHFFFAOYSA-N 1 2 231.708 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878538216 590588587 /nfs/dbraw/zinc/58/85/87/590588587.db2.gz VNPAOYXLVGAYBH-BDAKNGLRSA-N 1 2 233.308 0.002 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878538216 590588588 /nfs/dbraw/zinc/58/85/88/590588588.db2.gz VNPAOYXLVGAYBH-BDAKNGLRSA-N 1 2 233.308 0.002 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc3c(=O)[nH]ccn23)[C@H]1C ZINC000878651643 590602140 /nfs/dbraw/zinc/60/21/40/590602140.db2.gz BYBVFAYALAXDFE-YUMQZZPRSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc3c(=O)[nH]ccn23)[C@H]1C ZINC000878651643 590602141 /nfs/dbraw/zinc/60/21/41/590602141.db2.gz BYBVFAYALAXDFE-YUMQZZPRSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@H](O)CN(Cc1c[nH+]c[nH]1)CC(F)F ZINC000878684387 590609011 /nfs/dbraw/zinc/60/90/11/590609011.db2.gz HLIQBDYTWVOPRW-ZETCQYMHSA-N 1 2 219.235 0.858 20 0 BCADLO C[C@H](O)CN(Cc1c[nH]c[nH+]1)CC(F)F ZINC000878684387 590609013 /nfs/dbraw/zinc/60/90/13/590609013.db2.gz HLIQBDYTWVOPRW-ZETCQYMHSA-N 1 2 219.235 0.858 20 0 BCADLO CC(=O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000878678548 590608398 /nfs/dbraw/zinc/60/83/98/590608398.db2.gz IZDKQCDYFLMIGU-UHFFFAOYSA-N 1 2 237.278 0.932 20 0 BCADLO C=C/C=C\CC[NH2+][C@@](C)(CO)C(=O)OC ZINC000878699998 590611984 /nfs/dbraw/zinc/61/19/84/590611984.db2.gz ZRLKYDNFNIFJPM-GZTOBOFZSA-N 1 2 213.277 0.632 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000878791679 590623236 /nfs/dbraw/zinc/62/32/36/590623236.db2.gz DRPIKCJXHYXQQE-MRVPVSSYSA-N 1 2 200.669 0.703 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCC=C(Cl)C1 ZINC000878791679 590623237 /nfs/dbraw/zinc/62/32/37/590623237.db2.gz DRPIKCJXHYXQQE-MRVPVSSYSA-N 1 2 200.669 0.703 20 0 BCADLO CC[N@H+]1[C@H](C)CN(CC[S@@](C)=O)C[C@@H]1C ZINC000878835456 590630802 /nfs/dbraw/zinc/63/08/02/590630802.db2.gz HZKBWDNDKKUPOJ-JRPNMDOOSA-N 1 2 232.393 0.779 20 0 BCADLO CC[N@@H+]1[C@H](C)CN(CC[S@@](C)=O)C[C@@H]1C ZINC000878835456 590630803 /nfs/dbraw/zinc/63/08/03/590630803.db2.gz HZKBWDNDKKUPOJ-JRPNMDOOSA-N 1 2 232.393 0.779 20 0 BCADLO CC(C)COC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000878884067 590639514 /nfs/dbraw/zinc/63/95/14/590639514.db2.gz XRSBOXRCPXNRKP-GHMZBOCLSA-N 1 2 245.319 0.003 20 0 BCADLO C[N@H+](Cc1ccns1)[C@@H]1CCC(=O)NC1=O ZINC000878899774 590643566 /nfs/dbraw/zinc/64/35/66/590643566.db2.gz NOWMEBOWFARWBU-MRVPVSSYSA-N 1 2 239.300 0.380 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@@H]1CCC(=O)NC1=O ZINC000878899774 590643567 /nfs/dbraw/zinc/64/35/67/590643567.db2.gz NOWMEBOWFARWBU-MRVPVSSYSA-N 1 2 239.300 0.380 20 0 BCADLO Cc1conc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000878936997 590655204 /nfs/dbraw/zinc/65/52/04/590655204.db2.gz ZNCJXKDPEQIETC-SNVBAGLBSA-N 1 2 226.276 0.830 20 0 BCADLO Cc1conc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000878936997 590655207 /nfs/dbraw/zinc/65/52/07/590655207.db2.gz ZNCJXKDPEQIETC-SNVBAGLBSA-N 1 2 226.276 0.830 20 0 BCADLO CC12CC(C1)C[N@@H+]2Cc1nnc2c(=O)[nH]ccn12 ZINC000879009359 590677090 /nfs/dbraw/zinc/67/70/90/590677090.db2.gz WCFKPDSJSBMUFO-UHFFFAOYSA-N 1 2 245.286 0.402 20 0 BCADLO CC12CC(C1)C[N@H+]2Cc1nnc2c(=O)[nH]ccn12 ZINC000879009359 590677091 /nfs/dbraw/zinc/67/70/91/590677091.db2.gz WCFKPDSJSBMUFO-UHFFFAOYSA-N 1 2 245.286 0.402 20 0 BCADLO CCOC(=O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043403 590685735 /nfs/dbraw/zinc/68/57/35/590685735.db2.gz HFOXVMPHEULWQT-SNVBAGLBSA-N 1 2 246.282 0.085 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000879069088 590691674 /nfs/dbraw/zinc/69/16/74/590691674.db2.gz JRHNEYLTWVJHRN-VIFPVBQESA-N 1 2 235.243 0.249 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](C)OC2=O)cc[nH+]1 ZINC000879069112 590691926 /nfs/dbraw/zinc/69/19/26/590691926.db2.gz KKQBYKSCDFWDAD-SCZZXKLOSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000879072482 590692221 /nfs/dbraw/zinc/69/22/21/590692221.db2.gz BDBHVPAVENOWCE-PSASIEDQSA-N 1 2 249.270 0.637 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)CC(OC)OC ZINC000127541645 590703047 /nfs/dbraw/zinc/70/30/47/590703047.db2.gz VDNYUISZSKBNAX-UHFFFAOYSA-N 1 2 233.308 0.880 20 0 BCADLO CCC[N@H+](CC(=O)OCC)CC(OC)OC ZINC000127541645 590703049 /nfs/dbraw/zinc/70/30/49/590703049.db2.gz VDNYUISZSKBNAX-UHFFFAOYSA-N 1 2 233.308 0.880 20 0 BCADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCC(C)=O ZINC000879153597 590705307 /nfs/dbraw/zinc/70/53/07/590705307.db2.gz IBKYPWVZAUTTGN-PWSUYJOCSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCC(C)=O ZINC000879153597 590705308 /nfs/dbraw/zinc/70/53/08/590705308.db2.gz IBKYPWVZAUTTGN-PWSUYJOCSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cn[nH]c1C ZINC000879188866 590709675 /nfs/dbraw/zinc/70/96/75/590709675.db2.gz RLNSDOQUWYRMLJ-LLVKDONJSA-N 1 2 241.291 0.074 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000879188866 590709679 /nfs/dbraw/zinc/70/96/79/590709679.db2.gz RLNSDOQUWYRMLJ-LLVKDONJSA-N 1 2 241.291 0.074 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000879187733 590710601 /nfs/dbraw/zinc/71/06/01/590710601.db2.gz BMHDWSHECSRWIO-UHFFFAOYSA-N 1 2 240.307 0.560 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000879187733 590710604 /nfs/dbraw/zinc/71/06/04/590710604.db2.gz BMHDWSHECSRWIO-UHFFFAOYSA-N 1 2 240.307 0.560 20 0 BCADLO Cc1coc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000879247394 590720614 /nfs/dbraw/zinc/72/06/14/590720614.db2.gz BTBYVGRXIDBAQI-LLVKDONJSA-N 1 2 249.314 0.318 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](CCc2cnn[nH]2)C1 ZINC000879327560 590747465 /nfs/dbraw/zinc/74/74/65/590747465.db2.gz WMELWGVFUNZLAM-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](CCc2cnn[nH]2)C1 ZINC000879327560 590747468 /nfs/dbraw/zinc/74/74/68/590747468.db2.gz WMELWGVFUNZLAM-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000879616471 590824164 /nfs/dbraw/zinc/82/41/64/590824164.db2.gz BXJIQRSTBSIHFT-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1noc(C[N@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000879616471 590824168 /nfs/dbraw/zinc/82/41/68/590824168.db2.gz BXJIQRSTBSIHFT-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621209 590833784 /nfs/dbraw/zinc/83/37/84/590833784.db2.gz BDSQBRZGTYSWEA-DTWKUNHWSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621209 590833786 /nfs/dbraw/zinc/83/37/86/590833786.db2.gz BDSQBRZGTYSWEA-DTWKUNHWSA-N 1 2 239.323 0.364 20 0 BCADLO CCN1OC[C@H]([N@@H+]2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879622116 590835705 /nfs/dbraw/zinc/83/57/05/590835705.db2.gz HKQJWNXTQSBWPW-UWVGGRQHSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@H]([N@H+]2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879622116 590835707 /nfs/dbraw/zinc/83/57/07/590835707.db2.gz HKQJWNXTQSBWPW-UWVGGRQHSA-N 1 2 242.319 0.242 20 0 BCADLO CC1(C)C[C@H](O)C[N@H+](Cc2nccc(N)n2)C1 ZINC000879621901 590835771 /nfs/dbraw/zinc/83/57/71/590835771.db2.gz HBEQYWMLUJSWII-VIFPVBQESA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[C@H](O)C[N@@H+](Cc2nccc(N)n2)C1 ZINC000879621901 590835774 /nfs/dbraw/zinc/83/57/74/590835774.db2.gz HBEQYWMLUJSWII-VIFPVBQESA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[C@@H](O)C[N@H+](Cc2nccc(N)n2)C1 ZINC000879621900 590837018 /nfs/dbraw/zinc/83/70/18/590837018.db2.gz HBEQYWMLUJSWII-SECBINFHSA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2nccc(N)n2)C1 ZINC000879621900 590837020 /nfs/dbraw/zinc/83/70/20/590837020.db2.gz HBEQYWMLUJSWII-SECBINFHSA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[C@@H](O)C[N@H+](CCc2cnn[nH]2)C1 ZINC000879624664 590838454 /nfs/dbraw/zinc/83/84/54/590838454.db2.gz YXMXOLRAHWTICH-SNVBAGLBSA-N 1 2 224.308 0.440 20 0 BCADLO CC1(C)C[C@@H](O)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000879624664 590838457 /nfs/dbraw/zinc/83/84/57/590838457.db2.gz YXMXOLRAHWTICH-SNVBAGLBSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@H]([NH2+]Cc1cnon1)c1ccnn1C ZINC000879687941 590849790 /nfs/dbraw/zinc/84/97/90/590849790.db2.gz YPLULZBTKDMIEB-ZETCQYMHSA-N 1 2 207.237 0.654 20 0 BCADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136929 590940705 /nfs/dbraw/zinc/94/07/05/590940705.db2.gz VCNORUSEZFBNPL-IUCAKERBSA-N 1 2 237.307 0.179 20 0 BCADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136929 590940707 /nfs/dbraw/zinc/94/07/07/590940707.db2.gz VCNORUSEZFBNPL-IUCAKERBSA-N 1 2 237.307 0.179 20 0 BCADLO Cn1cc(C[N@@H+]2CCNC(=O)CC23CCC3)nn1 ZINC000880169063 590948548 /nfs/dbraw/zinc/94/85/48/590948548.db2.gz JCQAODYAVPLJBR-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO Cn1cc(C[N@H+]2CCNC(=O)CC23CCC3)nn1 ZINC000880169063 590948551 /nfs/dbraw/zinc/94/85/51/590948551.db2.gz JCQAODYAVPLJBR-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO COCC1([N@H+](C)Cc2ncnn2C)CCC1 ZINC000880188314 590955301 /nfs/dbraw/zinc/95/53/01/590955301.db2.gz ZGSJCYXFXUHPEC-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO COCC1([N@@H+](C)Cc2ncnn2C)CCC1 ZINC000880188314 590955304 /nfs/dbraw/zinc/95/53/04/590955304.db2.gz ZGSJCYXFXUHPEC-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO C[NH+](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000880195184 590956703 /nfs/dbraw/zinc/95/67/03/590956703.db2.gz KJFVJGADYVCBOV-UHFFFAOYSA-N 1 2 219.248 0.458 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880236223 590965918 /nfs/dbraw/zinc/96/59/18/590965918.db2.gz XZWZAJMYOKUKTG-SSDOTTSWSA-N 1 2 240.286 0.218 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880236223 590965924 /nfs/dbraw/zinc/96/59/24/590965924.db2.gz XZWZAJMYOKUKTG-SSDOTTSWSA-N 1 2 240.286 0.218 20 0 BCADLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1nncs1 ZINC000880298244 590992262 /nfs/dbraw/zinc/99/22/62/590992262.db2.gz WGTOQSARALWXSQ-SSDOTTSWSA-N 1 2 244.295 0.768 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1nncs1 ZINC000880298244 590992264 /nfs/dbraw/zinc/99/22/64/590992264.db2.gz WGTOQSARALWXSQ-SSDOTTSWSA-N 1 2 244.295 0.768 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)O)C1CCOCC1 ZINC000880339744 591006953 /nfs/dbraw/zinc/00/69/53/591006953.db2.gz DJECWGRHMVSAIF-ONGXEEELSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](C)OC)C1CCOCC1 ZINC000880339127 591008161 /nfs/dbraw/zinc/00/81/61/591008161.db2.gz JCBPNZFDVNXBQA-GXSJLCMTSA-N 1 2 245.319 0.579 20 0 BCADLO CCCNC(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880363782 591010957 /nfs/dbraw/zinc/01/09/57/591010957.db2.gz GXFGWZNNYMLETK-UHFFFAOYSA-N 1 2 248.330 0.972 20 0 BCADLO c1cnc(C2([NH2+]CC3OCCO3)CCC2)nc1 ZINC000880366386 591011832 /nfs/dbraw/zinc/01/18/32/591011832.db2.gz IGSCIPFBSQLNQT-UHFFFAOYSA-N 1 2 235.287 0.818 20 0 BCADLO O=C1CC[N@H+]([C@@H]2C=CCCC2)C2(COC2)CN1 ZINC000880399525 591021067 /nfs/dbraw/zinc/02/10/67/591021067.db2.gz RCPULMUKIFNGOJ-LLVKDONJSA-N 1 2 236.315 0.686 20 0 BCADLO O=C1CC[N@@H+]([C@@H]2C=CCCC2)C2(COC2)CN1 ZINC000880399525 591021072 /nfs/dbraw/zinc/02/10/72/591021072.db2.gz RCPULMUKIFNGOJ-LLVKDONJSA-N 1 2 236.315 0.686 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000880418531 591027338 /nfs/dbraw/zinc/02/73/38/591027338.db2.gz BWCQZYDCOUBNCK-MWLCHTKSSA-N 1 2 222.292 0.173 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000880418531 591027344 /nfs/dbraw/zinc/02/73/44/591027344.db2.gz BWCQZYDCOUBNCK-MWLCHTKSSA-N 1 2 222.292 0.173 20 0 BCADLO Cn1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1Cl ZINC000880420674 591028938 /nfs/dbraw/zinc/02/89/38/591028938.db2.gz LWMVNPLSRYRWNN-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1Cl ZINC000880420674 591028945 /nfs/dbraw/zinc/02/89/45/591028945.db2.gz LWMVNPLSRYRWNN-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1Cl ZINC000880420671 591029356 /nfs/dbraw/zinc/02/93/56/591029356.db2.gz LWMVNPLSRYRWNN-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1Cl ZINC000880420671 591029359 /nfs/dbraw/zinc/02/93/59/591029359.db2.gz LWMVNPLSRYRWNN-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880426809 591033045 /nfs/dbraw/zinc/03/30/45/591033045.db2.gz XLEQSPJCUWGYPZ-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880426809 591033050 /nfs/dbraw/zinc/03/30/50/591033050.db2.gz XLEQSPJCUWGYPZ-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1noc(C)n1 ZINC000880426327 591033588 /nfs/dbraw/zinc/03/35/88/591033588.db2.gz SQRQSOMKIRAXMC-NXEZZACHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1noc(C)n1 ZINC000880426327 591033593 /nfs/dbraw/zinc/03/35/93/591033593.db2.gz SQRQSOMKIRAXMC-NXEZZACHSA-N 1 2 241.291 0.614 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ncnn1CCF ZINC000880439613 591042901 /nfs/dbraw/zinc/04/29/01/591042901.db2.gz FMBDAVHOXXZJNZ-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ncnn1CCF ZINC000880439613 591042905 /nfs/dbraw/zinc/04/29/05/591042905.db2.gz FMBDAVHOXXZJNZ-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1CC=C[C@H]1CO ZINC000880483480 591057096 /nfs/dbraw/zinc/05/70/96/591057096.db2.gz GYVKRJRXLCADNQ-VIFPVBQESA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1CC=C[C@H]1CO ZINC000880483480 591057099 /nfs/dbraw/zinc/05/70/99/591057099.db2.gz GYVKRJRXLCADNQ-VIFPVBQESA-N 1 2 237.255 0.799 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC=C[C@H]1CO ZINC000880485313 591058249 /nfs/dbraw/zinc/05/82/49/591058249.db2.gz BTVJOXMUXPOKLX-QWRGUYRKSA-N 1 2 227.304 0.951 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1CC=C[C@H]1CO ZINC000880485313 591058254 /nfs/dbraw/zinc/05/82/54/591058254.db2.gz BTVJOXMUXPOKLX-QWRGUYRKSA-N 1 2 227.304 0.951 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC=C[C@@H]1CO ZINC000880485314 591058674 /nfs/dbraw/zinc/05/86/74/591058674.db2.gz BTVJOXMUXPOKLX-WDEREUQCSA-N 1 2 227.304 0.951 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1CC=C[C@@H]1CO ZINC000880485314 591058677 /nfs/dbraw/zinc/05/86/77/591058677.db2.gz BTVJOXMUXPOKLX-WDEREUQCSA-N 1 2 227.304 0.951 20 0 BCADLO CN(C(=O)C[N@@H+]1CC=C[C@@H]1CO)c1ccccc1 ZINC000880486667 591060226 /nfs/dbraw/zinc/06/02/26/591060226.db2.gz TURXEWYWHURGOH-CYBMUJFWSA-N 1 2 246.310 0.882 20 0 BCADLO CN(C(=O)C[N@H+]1CC=C[C@@H]1CO)c1ccccc1 ZINC000880486667 591060229 /nfs/dbraw/zinc/06/02/29/591060229.db2.gz TURXEWYWHURGOH-CYBMUJFWSA-N 1 2 246.310 0.882 20 0 BCADLO O=c1cc(C[N@H+]2CC=C[C@H]2CO)occ1O ZINC000880486033 591060502 /nfs/dbraw/zinc/06/05/02/591060502.db2.gz JSHQRTARKAYITK-QMMMGPOBSA-N 1 2 223.228 0.078 20 0 BCADLO O=c1cc(C[N@@H+]2CC=C[C@H]2CO)occ1O ZINC000880486033 591060506 /nfs/dbraw/zinc/06/05/06/591060506.db2.gz JSHQRTARKAYITK-QMMMGPOBSA-N 1 2 223.228 0.078 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC=C[C@H]2CO)o1 ZINC000880486564 591061248 /nfs/dbraw/zinc/06/12/48/591061248.db2.gz PCOJFXJBGJBAGV-VIFPVBQESA-N 1 2 223.276 0.926 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC=C[C@H]2CO)o1 ZINC000880486564 591061253 /nfs/dbraw/zinc/06/12/53/591061253.db2.gz PCOJFXJBGJBAGV-VIFPVBQESA-N 1 2 223.276 0.926 20 0 BCADLO CCc1cnc(C[N@@H+]2CC=C[C@H]2CO)o1 ZINC000880486972 591062680 /nfs/dbraw/zinc/06/26/80/591062680.db2.gz SFJPCZNCCXYCNN-VIFPVBQESA-N 1 2 208.261 0.970 20 0 BCADLO CCc1cnc(C[N@H+]2CC=C[C@H]2CO)o1 ZINC000880486972 591062686 /nfs/dbraw/zinc/06/26/86/591062686.db2.gz SFJPCZNCCXYCNN-VIFPVBQESA-N 1 2 208.261 0.970 20 0 BCADLO O=C(C[N@H+]1CC=C[C@@H]1CO)OCc1ccccc1 ZINC000880486920 591063085 /nfs/dbraw/zinc/06/30/85/591063085.db2.gz QVKJVFXNOHIPJK-CYBMUJFWSA-N 1 2 247.294 0.963 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)OCc1ccccc1 ZINC000880486920 591063089 /nfs/dbraw/zinc/06/30/89/591063089.db2.gz QVKJVFXNOHIPJK-CYBMUJFWSA-N 1 2 247.294 0.963 20 0 BCADLO Cc1cc(C[N@@H+]2CC=C[C@H]2CO)nn1C ZINC000880487589 591063758 /nfs/dbraw/zinc/06/37/58/591063758.db2.gz MTMZTBJNWGWVED-NSHDSACASA-N 1 2 207.277 0.461 20 0 BCADLO Cc1cc(C[N@H+]2CC=C[C@H]2CO)nn1C ZINC000880487589 591063764 /nfs/dbraw/zinc/06/37/64/591063764.db2.gz MTMZTBJNWGWVED-NSHDSACASA-N 1 2 207.277 0.461 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000880491466 591069184 /nfs/dbraw/zinc/06/91/84/591069184.db2.gz JWEGTYSXAXYIKV-GFCCVEGCSA-N 1 2 234.303 0.421 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000880491466 591069189 /nfs/dbraw/zinc/06/91/89/591069189.db2.gz JWEGTYSXAXYIKV-GFCCVEGCSA-N 1 2 234.303 0.421 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000880494077 591070904 /nfs/dbraw/zinc/07/09/04/591070904.db2.gz JDOKLZFIIIGVNH-LBPRGKRZSA-N 1 2 219.288 0.562 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000880494077 591070907 /nfs/dbraw/zinc/07/09/07/591070907.db2.gz JDOKLZFIIIGVNH-LBPRGKRZSA-N 1 2 219.288 0.562 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880492891 591071376 /nfs/dbraw/zinc/07/13/76/591071376.db2.gz XKDGGOWYZPPAJM-SNVBAGLBSA-N 1 2 222.292 0.592 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC=C[C@@H]1CO ZINC000880492891 591071381 /nfs/dbraw/zinc/07/13/81/591071381.db2.gz XKDGGOWYZPPAJM-SNVBAGLBSA-N 1 2 222.292 0.592 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCC[C@]23CCCO3)n1 ZINC000880503228 591077810 /nfs/dbraw/zinc/07/78/10/591077810.db2.gz ODKZUYWVTNQEAE-KOLCDFICSA-N 1 2 237.307 0.401 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880525420 591084494 /nfs/dbraw/zinc/08/44/94/591084494.db2.gz GLHGHWPRYDGWOH-JQWIXIFHSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880525420 591084497 /nfs/dbraw/zinc/08/44/97/591084497.db2.gz GLHGHWPRYDGWOH-JQWIXIFHSA-N 1 2 248.330 0.521 20 0 BCADLO O=C1NCC[C@H]2CCC[N@H+](Cc3ccno3)[C@H]12 ZINC000880529775 591084872 /nfs/dbraw/zinc/08/48/72/591084872.db2.gz NBQPUVMUIVQWTI-KOLCDFICSA-N 1 2 235.287 0.775 20 0 BCADLO O=C1NCC[C@H]2CCC[N@@H+](Cc3ccno3)[C@H]12 ZINC000880529775 591084878 /nfs/dbraw/zinc/08/48/78/591084878.db2.gz NBQPUVMUIVQWTI-KOLCDFICSA-N 1 2 235.287 0.775 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC1CC1 ZINC000880588796 591101786 /nfs/dbraw/zinc/10/17/86/591101786.db2.gz XTWSPQWNMLIMIC-JTQLQIEISA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC000880588796 591101788 /nfs/dbraw/zinc/10/17/88/591101788.db2.gz XTWSPQWNMLIMIC-JTQLQIEISA-N 1 2 241.335 0.097 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880591287 591102822 /nfs/dbraw/zinc/10/28/22/591102822.db2.gz FBMLSPYHMSQUBV-NSHDSACASA-N 1 2 240.351 0.621 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880591287 591102824 /nfs/dbraw/zinc/10/28/24/591102824.db2.gz FBMLSPYHMSQUBV-NSHDSACASA-N 1 2 240.351 0.621 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccnn1C ZINC000880590319 591103620 /nfs/dbraw/zinc/10/36/20/591103620.db2.gz MNNDFWVGXFHKAT-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccnn1C ZINC000880590319 591103622 /nfs/dbraw/zinc/10/36/22/591103622.db2.gz MNNDFWVGXFHKAT-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2ncncc2C1 ZINC000880594817 591105069 /nfs/dbraw/zinc/10/50/69/591105069.db2.gz HCHCEORERAZWRM-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2ncncc2C1 ZINC000880594817 591105072 /nfs/dbraw/zinc/10/50/72/591105072.db2.gz HCHCEORERAZWRM-UHFFFAOYSA-N 1 2 235.287 0.788 20 0 BCADLO CCc1nnc(C[N@@H+]2CCc3ncncc3C2)[nH]1 ZINC000880596983 591106425 /nfs/dbraw/zinc/10/64/25/591106425.db2.gz IHPIEWFUVKSKEZ-UHFFFAOYSA-N 1 2 244.302 0.715 20 0 BCADLO CCc1nnc(C[N@H+]2CCc3ncncc3C2)[nH]1 ZINC000880596983 591106427 /nfs/dbraw/zinc/10/64/27/591106427.db2.gz IHPIEWFUVKSKEZ-UHFFFAOYSA-N 1 2 244.302 0.715 20 0 BCADLO COC(C[N@@H+]1CCc2ncncc2C1)OC ZINC000880596877 591107147 /nfs/dbraw/zinc/10/71/47/591107147.db2.gz DPCHFADSAUZIQE-UHFFFAOYSA-N 1 2 223.276 0.454 20 0 BCADLO COC(C[N@H+]1CCc2ncncc2C1)OC ZINC000880596877 591107150 /nfs/dbraw/zinc/10/71/50/591107150.db2.gz DPCHFADSAUZIQE-UHFFFAOYSA-N 1 2 223.276 0.454 20 0 BCADLO c1ncc2c(n1)CC[N@@H+](C[C@@H]1COCCO1)C2 ZINC000880599624 591107683 /nfs/dbraw/zinc/10/76/83/591107683.db2.gz NSKGTPHZCAXPOB-LLVKDONJSA-N 1 2 235.287 0.250 20 0 BCADLO c1ncc2c(n1)CC[N@H+](C[C@@H]1COCCO1)C2 ZINC000880599624 591107685 /nfs/dbraw/zinc/10/76/85/591107685.db2.gz NSKGTPHZCAXPOB-LLVKDONJSA-N 1 2 235.287 0.250 20 0 BCADLO CON(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000880642086 591113758 /nfs/dbraw/zinc/11/37/58/591113758.db2.gz AUXXQOMBDPDSMG-UHFFFAOYSA-N 1 2 240.307 0.273 20 0 BCADLO C[C@H](NC(=O)COC1CC1)c1[nH+]ccn1C ZINC000880721780 591127613 /nfs/dbraw/zinc/12/76/13/591127613.db2.gz GBBJPUZKPHBZOT-QMMMGPOBSA-N 1 2 223.276 0.776 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000881299881 591183259 /nfs/dbraw/zinc/18/32/59/591183259.db2.gz ZCEIULWEBIRLHE-NSHDSACASA-N 1 2 235.291 0.677 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(C/C=C\Cl)nn1 ZINC000881427509 591204606 /nfs/dbraw/zinc/20/46/06/591204606.db2.gz MYHAZPFTJTUDLL-KZUAUGPASA-N 1 2 244.682 0.073 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C ZINC000881481791 591211308 /nfs/dbraw/zinc/21/13/08/591211308.db2.gz JMRJPCOTPNTFPG-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C ZINC000881481791 591211310 /nfs/dbraw/zinc/21/13/10/591211310.db2.gz JMRJPCOTPNTFPG-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C=CCC1 ZINC000881496185 591218876 /nfs/dbraw/zinc/21/88/76/591218876.db2.gz TXFUJNDGNLANDB-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C=CCC1 ZINC000881496185 591218877 /nfs/dbraw/zinc/21/88/77/591218877.db2.gz TXFUJNDGNLANDB-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO Cc1[nH+]cnc(N2CCC(C(N)=O)CC2)c1C ZINC000881738880 591268509 /nfs/dbraw/zinc/26/85/09/591268509.db2.gz ULONQYQZSKMLPY-UHFFFAOYSA-N 1 2 234.303 0.795 20 0 BCADLO Cc1[nH+]cnc(NCC(=O)NC2CC2)c1C ZINC000881775451 591269351 /nfs/dbraw/zinc/26/93/51/591269351.db2.gz FOQQCFNLCYZUCB-UHFFFAOYSA-N 1 2 220.276 0.784 20 0 BCADLO COCCNC(=O)CNc1nc[nH+]c(C)c1C ZINC000881776395 591270329 /nfs/dbraw/zinc/27/03/29/591270329.db2.gz MIWUIJRCCVKXGC-UHFFFAOYSA-N 1 2 238.291 0.268 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C1CCC1 ZINC000881790027 591271220 /nfs/dbraw/zinc/27/12/20/591271220.db2.gz IKFQUNMDFBRALF-SECBINFHSA-N 1 2 243.332 0.744 20 0 BCADLO Cc1[nH+]cnc(NCCn2cncn2)c1C ZINC000881799307 591271523 /nfs/dbraw/zinc/27/15/23/591271523.db2.gz BNAYNRPENZRPMB-UHFFFAOYSA-N 1 2 218.264 0.797 20 0 BCADLO Cc1[nH+]cnc(NCCC(=O)N(C)C)c1C ZINC000881815607 591272931 /nfs/dbraw/zinc/27/29/31/591272931.db2.gz SAFIPLXPSCSEJK-UHFFFAOYSA-N 1 2 222.292 0.984 20 0 BCADLO CCOC(C[N@@H+]1C[C@H](CO)OC[C@@H]1C)OCC ZINC000129267073 591273123 /nfs/dbraw/zinc/27/31/23/591273123.db2.gz GKXBVFVARRICNP-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@H](CO)OC[C@@H]1C)OCC ZINC000129267073 591273125 /nfs/dbraw/zinc/27/31/25/591273125.db2.gz GKXBVFVARRICNP-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO Cc1[nH+]cnc(NCCCS(C)(=O)=O)c1C ZINC000881836512 591273964 /nfs/dbraw/zinc/27/39/64/591273964.db2.gz TZBINWPCXQOBMC-UHFFFAOYSA-N 1 2 243.332 0.940 20 0 BCADLO Cc1[nH+]cnc(N2CCCN(C(N)=O)CC2)c1C ZINC000881906173 591277038 /nfs/dbraw/zinc/27/70/38/591277038.db2.gz HGFJFWMYQKGZFK-UHFFFAOYSA-N 1 2 249.318 0.684 20 0 BCADLO Cc1[nH+]cnc(NCC[S@@](C)=O)c1C ZINC000881989541 591283449 /nfs/dbraw/zinc/28/34/49/591283449.db2.gz JLTXAVQQWXSCRN-CQSZACIVSA-N 1 2 213.306 0.884 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@H](CO)C2)c1C ZINC000882005745 591287501 /nfs/dbraw/zinc/28/75/01/591287501.db2.gz QNQCETUJLXSHRB-JTQLQIEISA-N 1 2 207.277 0.912 20 0 BCADLO Cc1[nH+]cnc(N[C@H](C)CC(N)=O)c1C ZINC000882013923 591288080 /nfs/dbraw/zinc/28/80/80/591288080.db2.gz ZLPPLSACNSIACE-ZCFIWIBFSA-N 1 2 208.265 0.769 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](C)S(N)(=O)=O)c1C ZINC000882148698 591306216 /nfs/dbraw/zinc/30/62/16/591306216.db2.gz GMKIQIDIONGXHT-ZCFIWIBFSA-N 1 2 244.320 0.182 20 0 BCADLO CCCNc1cc(NCCNC(C)=O)nc[nH+]1 ZINC000129515032 591315592 /nfs/dbraw/zinc/31/55/92/591315592.db2.gz ODMKGBPMGSTYGQ-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO CCCNc1cc(NCCNC(C)=O)[nH+]cn1 ZINC000129515032 591315594 /nfs/dbraw/zinc/31/55/94/591315594.db2.gz ODMKGBPMGSTYGQ-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO CC(C)(C)c1cn(CCn2cnnn2)c[nH+]1 ZINC000882280385 591326215 /nfs/dbraw/zinc/32/62/15/591326215.db2.gz BPBNSGZEKLZZDU-UHFFFAOYSA-N 1 2 220.280 0.867 20 0 BCADLO Cc1[nH+]cnc(NCc2cnn(C)n2)c1C ZINC000882367135 591338663 /nfs/dbraw/zinc/33/86/63/591338663.db2.gz PTOJSSLNEZQIOU-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO Cn1ncc(CNc2cc(CO)cc[nH+]2)n1 ZINC000882367380 591339250 /nfs/dbraw/zinc/33/92/50/591339250.db2.gz RQMYWFGYKSVYIX-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO Cc1[nH+]cnc(N[C@@H]2COC(=O)C2)c1C ZINC000882388271 591341027 /nfs/dbraw/zinc/34/10/27/591341027.db2.gz XRMYJFSRBUCKHL-QMMMGPOBSA-N 1 2 207.233 0.821 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(c3cc(CO)cc[nH+]3)C[C@@H]21 ZINC000882392130 591342191 /nfs/dbraw/zinc/34/21/91/591342191.db2.gz KOALDPOXUOXBQT-IAZYJMLFSA-N 1 2 248.282 0.429 20 0 BCADLO CNC(=O)NCCNc1nc[nH+]c(C)c1C ZINC000882465940 591352995 /nfs/dbraw/zinc/35/29/95/591352995.db2.gz IYWMIRZSZZULRS-UHFFFAOYSA-N 1 2 223.280 0.434 20 0 BCADLO CO[C@](C)(CO)CNc1nc[nH+]c(C)c1C ZINC000882543823 591389798 /nfs/dbraw/zinc/38/97/98/591389798.db2.gz IUNNMBDEUACNBR-NSHDSACASA-N 1 2 225.292 0.903 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCOC2(CCC2)C1 ZINC000129829181 591412264 /nfs/dbraw/zinc/41/22/64/591412264.db2.gz LHFWKQFKCZCLLH-UHFFFAOYSA-N 1 2 224.304 0.821 20 0 BCADLO O=C1CCCN1C[N@H+]1CCOC2(CCC2)C1 ZINC000129829181 591412267 /nfs/dbraw/zinc/41/22/67/591412267.db2.gz LHFWKQFKCZCLLH-UHFFFAOYSA-N 1 2 224.304 0.821 20 0 BCADLO CC[C@@H](O)CN1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000130187930 591447094 /nfs/dbraw/zinc/44/70/94/591447094.db2.gz WLPATURYWLSALQ-FRRDWIJNSA-N 1 2 244.379 0.798 20 0 BCADLO CC[C@@H](O)CN1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000130187930 591447097 /nfs/dbraw/zinc/44/70/97/591447097.db2.gz WLPATURYWLSALQ-FRRDWIJNSA-N 1 2 244.379 0.798 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]CCS(C)(=O)=O)n1 ZINC000882938177 591478966 /nfs/dbraw/zinc/47/89/66/591478966.db2.gz AGKIMWUCEOCPJS-UHFFFAOYSA-N 1 2 245.348 0.667 20 0 BCADLO Cn1cc(Cl)c(CO[NH+]=C(N)CO)n1 ZINC000883012418 591512340 /nfs/dbraw/zinc/51/23/40/591512340.db2.gz FTZNKEOTNVHESJ-UHFFFAOYSA-N 1 2 218.644 0.064 20 0 BCADLO NC(=[NH+]OCCN1CCOC1=O)[C@H]1CCCO1 ZINC000882990707 591498399 /nfs/dbraw/zinc/49/83/99/591498399.db2.gz WKXGSVLLQMPMBX-MRVPVSSYSA-N 1 2 243.263 0.116 20 0 BCADLO COC(=O)c1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883009599 591509199 /nfs/dbraw/zinc/50/91/99/591509199.db2.gz MUYBHROYJAYQLU-UHFFFAOYSA-N 1 2 238.243 0.464 20 0 BCADLO Cc1ccc(NC(=O)CO[NH+]=C(N)CO)cc1 ZINC000883009754 591509670 /nfs/dbraw/zinc/50/96/70/591509670.db2.gz SHJYEMRQRBCNHG-UHFFFAOYSA-N 1 2 237.259 0.424 20 0 BCADLO NC(CO)=[NH+]OCCOc1ccc(F)cc1 ZINC000883009678 591509676 /nfs/dbraw/zinc/50/96/76/591509676.db2.gz PQNWQNGTXHMKAK-UHFFFAOYSA-N 1 2 228.223 0.695 20 0 BCADLO CC(C)c1cnc(CO[NH+]=C(N)CO)o1 ZINC000883011315 591511147 /nfs/dbraw/zinc/51/11/47/591511147.db2.gz QUFJVILXOKRRBA-UHFFFAOYSA-N 1 2 213.237 0.789 20 0 BCADLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883011597 591511413 /nfs/dbraw/zinc/51/14/13/591511413.db2.gz BDWGSMBHQOPKQS-SECBINFHSA-N 1 2 245.323 0.562 20 0 BCADLO CC(=O)c1cccc(CO[NH+]=C(N)CO)c1 ZINC000883012772 591512099 /nfs/dbraw/zinc/51/20/99/591512099.db2.gz SGTHRZVBLPGYLK-UHFFFAOYSA-N 1 2 222.244 0.880 20 0 BCADLO NC(CO)=[NH+]OCCN1CCCc2ccccc21 ZINC000883012048 591512386 /nfs/dbraw/zinc/51/23/86/591512386.db2.gz RKKDCXILZDQZTB-UHFFFAOYSA-N 1 2 249.314 0.930 20 0 BCADLO NC(CO)=[NH+]OCCc1c(F)cccc1F ZINC000883012798 591512479 /nfs/dbraw/zinc/51/24/79/591512479.db2.gz TYVPUJBPIHKKJO-UHFFFAOYSA-N 1 2 230.214 0.998 20 0 BCADLO COc1ncccc1CO[NH+]=C(N)CO ZINC000883012918 591512605 /nfs/dbraw/zinc/51/26/05/591512605.db2.gz YCGKNAOVFAJRQZ-UHFFFAOYSA-N 1 2 211.221 0.081 20 0 BCADLO CNC(=O)c1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883012870 591512966 /nfs/dbraw/zinc/51/29/66/591512966.db2.gz WDKBHVUEEPAGSD-UHFFFAOYSA-N 1 2 237.259 0.037 20 0 BCADLO COc1cc(CO[NH+]=C(N)CO)ccn1 ZINC000883012256 591513092 /nfs/dbraw/zinc/51/30/92/591513092.db2.gz ZBAADTKSKPHOEY-UHFFFAOYSA-N 1 2 211.221 0.081 20 0 BCADLO COC1(CCO[NH+]=C(N)CO)CCC1 ZINC000883012954 591513119 /nfs/dbraw/zinc/51/31/19/591513119.db2.gz ZSBXHOZGNFYJEB-UHFFFAOYSA-N 1 2 202.254 0.436 20 0 BCADLO CO[C@H](CO[NH+]=C(N)CO)C1CCC1 ZINC000883013620 591514313 /nfs/dbraw/zinc/51/43/13/591514313.db2.gz UQJZARIGOGVTAQ-MRVPVSSYSA-N 1 2 202.254 0.292 20 0 BCADLO Cc1nc(N2CCC[C@H]3CCNC(=O)[C@H]32)cc[nH+]1 ZINC000883022041 591518288 /nfs/dbraw/zinc/51/82/88/591518288.db2.gz MBFHGNVDRZLOAI-JQWIXIFHSA-N 1 2 246.314 0.890 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H](CF)C1 ZINC000883068380 591533943 /nfs/dbraw/zinc/53/39/43/591533943.db2.gz RUEUJILRUUFJIN-SNVBAGLBSA-N 1 2 240.282 0.884 20 0 BCADLO COCC[N@H+](CC(C)C)Cn1ncn(C)c1=O ZINC000131085760 591551474 /nfs/dbraw/zinc/55/14/74/591551474.db2.gz PTOBXIBJMKLXDU-UHFFFAOYSA-N 1 2 242.323 0.144 20 0 BCADLO COCC[N@@H+](CC(C)C)Cn1ncn(C)c1=O ZINC000131085760 591551477 /nfs/dbraw/zinc/55/14/77/591551477.db2.gz PTOBXIBJMKLXDU-UHFFFAOYSA-N 1 2 242.323 0.144 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1CCCC12OCCO2 ZINC000883178028 591563388 /nfs/dbraw/zinc/56/33/88/591563388.db2.gz NUCDJELWEHJMPR-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cncnc1 ZINC000131444637 591608783 /nfs/dbraw/zinc/60/87/83/591608783.db2.gz XABOOSHAKCIGPK-NSHDSACASA-N 1 2 234.303 0.433 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000131444637 591608786 /nfs/dbraw/zinc/60/87/86/591608786.db2.gz XABOOSHAKCIGPK-NSHDSACASA-N 1 2 234.303 0.433 20 0 BCADLO CCCNc1cc(NCCC(=O)NC)nc[nH+]1 ZINC000132145497 591691017 /nfs/dbraw/zinc/69/10/17/591691017.db2.gz OTTRSIHZACOCBA-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO CCCNc1cc(NCCC(=O)NC)[nH+]cn1 ZINC000132145497 591691020 /nfs/dbraw/zinc/69/10/20/591691020.db2.gz OTTRSIHZACOCBA-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@](C)(CCO)COC ZINC000132544801 591718470 /nfs/dbraw/zinc/71/84/70/591718470.db2.gz MPTLTTSTXJTSSB-CMPLNLGQSA-N 1 2 247.335 0.705 20 0 BCADLO CCn1cc(C[N@@H+]2CCC[C@H](OC)C2)nn1 ZINC000883999751 591789782 /nfs/dbraw/zinc/78/97/82/591789782.db2.gz RQHRPWCBITXSPL-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCC[C@H](OC)C2)nn1 ZINC000883999751 591789786 /nfs/dbraw/zinc/78/97/86/591789786.db2.gz RQHRPWCBITXSPL-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+](CCO)C2CC2)nn1 ZINC000883998440 591790318 /nfs/dbraw/zinc/79/03/18/591790318.db2.gz RBOOUBXKHAFYDD-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1cc(C[N@@H+](CCO)C2CC2)nn1 ZINC000883998440 591790320 /nfs/dbraw/zinc/79/03/20/591790320.db2.gz RBOOUBXKHAFYDD-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1cc(C[NH+]2CCC([C@@H](C)O)CC2)nn1 ZINC000884002530 591791686 /nfs/dbraw/zinc/79/16/86/591791686.db2.gz LLOXLNSKTFDVMF-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000884007854 591795362 /nfs/dbraw/zinc/79/53/62/591795362.db2.gz RDDRYYODQZHWHX-JOYOIKCWSA-N 1 2 248.330 0.507 20 0 BCADLO C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000884007855 591795916 /nfs/dbraw/zinc/79/59/16/591795916.db2.gz RDDRYYODQZHWHX-SKDRFNHKSA-N 1 2 248.330 0.507 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C2CC2)CCO1 ZINC000800097939 591822116 /nfs/dbraw/zinc/82/21/16/591822116.db2.gz UYVWCDXGIMOUCV-SECBINFHSA-N 1 2 213.277 0.660 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C2CC2)CCO1 ZINC000800097939 591822118 /nfs/dbraw/zinc/82/21/18/591822118.db2.gz UYVWCDXGIMOUCV-SECBINFHSA-N 1 2 213.277 0.660 20 0 BCADLO CCO[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800136224 591827079 /nfs/dbraw/zinc/82/70/79/591827079.db2.gz MEMJORBUQVSJII-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCO[C@@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800136224 591827083 /nfs/dbraw/zinc/82/70/83/591827083.db2.gz MEMJORBUQVSJII-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@H](C)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800155864 591829719 /nfs/dbraw/zinc/82/97/19/591829719.db2.gz ZDQYCDOXJFTOJL-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@H](C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800155864 591829721 /nfs/dbraw/zinc/82/97/21/591829721.db2.gz ZDQYCDOXJFTOJL-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C2=COCC2)CCO1 ZINC000800169867 591831513 /nfs/dbraw/zinc/83/15/13/591831513.db2.gz XEGLGXWKNKXGOD-JTQLQIEISA-N 1 2 241.287 0.555 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C2=COCC2)CCO1 ZINC000800169867 591831516 /nfs/dbraw/zinc/83/15/16/591831516.db2.gz XEGLGXWKNKXGOD-JTQLQIEISA-N 1 2 241.287 0.555 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000800171581 591831752 /nfs/dbraw/zinc/83/17/52/591831752.db2.gz OHMUNALRSASQHS-SSDOTTSWSA-N 1 2 235.230 0.848 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000800171581 591831755 /nfs/dbraw/zinc/83/17/55/591831755.db2.gz OHMUNALRSASQHS-SSDOTTSWSA-N 1 2 235.230 0.848 20 0 BCADLO COC/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800219933 591842487 /nfs/dbraw/zinc/84/24/87/591842487.db2.gz TXYWPWOMZIJJAE-DLRQAJBASA-N 1 2 243.303 0.453 20 0 BCADLO COC/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800219933 591842489 /nfs/dbraw/zinc/84/24/89/591842489.db2.gz TXYWPWOMZIJJAE-DLRQAJBASA-N 1 2 243.303 0.453 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC3(CCC3)C2)c1=O ZINC000133664269 591844987 /nfs/dbraw/zinc/84/49/87/591844987.db2.gz NUNJYKVDENWTAH-UHFFFAOYSA-N 1 2 222.292 0.415 20 0 BCADLO Cn1cnn(C[N@H+]2CCC3(CCC3)C2)c1=O ZINC000133664269 591844989 /nfs/dbraw/zinc/84/49/89/591844989.db2.gz NUNJYKVDENWTAH-UHFFFAOYSA-N 1 2 222.292 0.415 20 0 BCADLO CCc1nc(N2CC(CC(N)=O)C2)cc[nH+]1 ZINC000884494156 591956333 /nfs/dbraw/zinc/95/63/33/591956333.db2.gz LSOLUWUQSQITOC-UHFFFAOYSA-N 1 2 220.276 0.351 20 0 BCADLO CCc1nc(NCc2cnn(C)n2)cc[nH+]1 ZINC000884509139 591960994 /nfs/dbraw/zinc/96/09/94/591960994.db2.gz XYMGBLVCMZKWPF-UHFFFAOYSA-N 1 2 218.264 0.780 20 0 BCADLO CCc1nc(NC[C@@H](O)CC(=O)OC)cc[nH+]1 ZINC000884566054 591982530 /nfs/dbraw/zinc/98/25/30/591982530.db2.gz ZRLWRINYHJDWNK-QMMMGPOBSA-N 1 2 239.275 0.375 20 0 BCADLO CCc1nc(NCc2nc(N(C)C)n[nH]2)cc[nH+]1 ZINC000884568650 591983215 /nfs/dbraw/zinc/98/32/15/591983215.db2.gz QJPYGKZFIZJKEL-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO CCc1nc(NC[C@@H](O)[C@@H](C)O)cc[nH+]1 ZINC000884572896 591984603 /nfs/dbraw/zinc/98/46/03/591984603.db2.gz YERWITIACFDSEA-HTQZYQBOSA-N 1 2 211.265 0.193 20 0 BCADLO OC[C@H](C[C@H]1CCCO1)Nc1cc[nH+]cc1F ZINC000884615658 591994809 /nfs/dbraw/zinc/99/48/09/591994809.db2.gz LGMKDHKHGBNNNE-VHSXEESVSA-N 1 2 240.278 0.985 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884623013 591995788 /nfs/dbraw/zinc/99/57/88/591995788.db2.gz KLZSSLNIQSDJBK-AYMMMOKOSA-N 1 2 209.249 0.081 20 0 BCADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884622482 591995930 /nfs/dbraw/zinc/99/59/30/591995930.db2.gz PRAJQQAESMIGBV-PSVAKVPMSA-N 1 2 224.260 0.386 20 0 BCADLO Cc1[nH+]cnc(NCCN2CCNC2=O)c1C ZINC000884690993 592011546 /nfs/dbraw/zinc/01/15/46/592011546.db2.gz SSGCJGYXOOBGBW-UHFFFAOYSA-N 1 2 235.291 0.531 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)CCc1c[nH+]cn1C ZINC000885052049 592039661 /nfs/dbraw/zinc/03/96/61/592039661.db2.gz LOKRUUGNCAZXFQ-JTQLQIEISA-N 1 2 249.314 0.933 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885082735 592048669 /nfs/dbraw/zinc/04/86/69/592048669.db2.gz HLGIPPNRIBAUFO-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885082735 592048671 /nfs/dbraw/zinc/04/86/71/592048671.db2.gz HLGIPPNRIBAUFO-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO COCCOC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000885119734 592053957 /nfs/dbraw/zinc/05/39/57/592053957.db2.gz JFCAMQBLJHLAKB-VIFPVBQESA-N 1 2 239.275 0.571 20 0 BCADLO CCO[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000885333575 592068597 /nfs/dbraw/zinc/06/85/97/592068597.db2.gz XXTHNPASSVDXGZ-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000885574487 592084390 /nfs/dbraw/zinc/08/43/90/592084390.db2.gz JZLRUACNTYTRTQ-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO Cc1[nH]c(C(=O)NCCO[C@@H]2CCOC2)c[nH+]1 ZINC000885732881 592096483 /nfs/dbraw/zinc/09/64/83/592096483.db2.gz BJOGEHIMJQYXRN-SECBINFHSA-N 1 2 239.275 0.253 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@](C)(O)C(F)F ZINC000885972864 592117720 /nfs/dbraw/zinc/11/77/20/592117720.db2.gz MADJGXCNUFKKPO-SECBINFHSA-N 1 2 225.235 0.497 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@](C)(O)C(F)F ZINC000885972864 592117723 /nfs/dbraw/zinc/11/77/23/592117723.db2.gz MADJGXCNUFKKPO-SECBINFHSA-N 1 2 225.235 0.497 20 0 BCADLO COC(C[N@@H+](C)CC(=O)NC(C)(C)C)OC ZINC000136731405 592150366 /nfs/dbraw/zinc/15/03/66/592150366.db2.gz KICCLMSFWLDTIV-UHFFFAOYSA-N 1 2 232.324 0.452 20 0 BCADLO CC(C)CONC(=O)NCC[NH+]1CCOCC1 ZINC000136711156 592149531 /nfs/dbraw/zinc/14/95/31/592149531.db2.gz CGLWOVQQTKZSTD-UHFFFAOYSA-N 1 2 245.323 0.205 20 0 BCADLO COC(C[N@H+](C)CC(=O)NC(C)(C)C)OC ZINC000136731405 592150365 /nfs/dbraw/zinc/15/03/65/592150365.db2.gz KICCLMSFWLDTIV-UHFFFAOYSA-N 1 2 232.324 0.452 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](C(F)F)C1)C(F)F ZINC000886190497 592173198 /nfs/dbraw/zinc/17/31/98/592173198.db2.gz SVTADQVVNMNBOM-HZGVNTEJSA-N 1 2 245.216 0.968 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000886211037 592177260 /nfs/dbraw/zinc/17/72/60/592177260.db2.gz HWPGRPRXEYTURH-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000886211037 592177261 /nfs/dbraw/zinc/17/72/61/592177261.db2.gz HWPGRPRXEYTURH-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2nc[nH]c2C1)C(F)F ZINC000886211432 592177441 /nfs/dbraw/zinc/17/74/41/592177441.db2.gz PCPDKMUDPUSVJX-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2nc[nH]c2C1)C(F)F ZINC000886211432 592177443 /nfs/dbraw/zinc/17/74/43/592177443.db2.gz PCPDKMUDPUSVJX-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000886249723 592186185 /nfs/dbraw/zinc/18/61/85/592186185.db2.gz RMMHNYGUPBXNDM-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000886249723 592186187 /nfs/dbraw/zinc/18/61/87/592186187.db2.gz RMMHNYGUPBXNDM-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000886249723 592186189 /nfs/dbraw/zinc/18/61/89/592186189.db2.gz RMMHNYGUPBXNDM-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000886249723 592186192 /nfs/dbraw/zinc/18/61/92/592186192.db2.gz RMMHNYGUPBXNDM-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886284162 592199966 /nfs/dbraw/zinc/19/99/66/592199966.db2.gz PAGOIZIHMRSBBF-VXNVDRBHSA-N 1 2 225.235 0.307 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886284162 592199967 /nfs/dbraw/zinc/19/99/67/592199967.db2.gz PAGOIZIHMRSBBF-VXNVDRBHSA-N 1 2 225.235 0.307 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CCOC2)n1 ZINC000886327520 592209501 /nfs/dbraw/zinc/20/95/01/592209501.db2.gz LPVFVZHNKBPCBC-ZETCQYMHSA-N 1 2 228.321 0.546 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CCOC2)[nH]1 ZINC000886327520 592209503 /nfs/dbraw/zinc/20/95/03/592209503.db2.gz LPVFVZHNKBPCBC-ZETCQYMHSA-N 1 2 228.321 0.546 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)NCC(F)(F)F ZINC000886328923 592210041 /nfs/dbraw/zinc/21/00/41/592210041.db2.gz UUVNFYUPTSJLFR-KNVOCYPGSA-N 1 2 222.210 0.617 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)NCC(F)(F)F ZINC000886328923 592210043 /nfs/dbraw/zinc/21/00/43/592210043.db2.gz UUVNFYUPTSJLFR-KNVOCYPGSA-N 1 2 222.210 0.617 20 0 BCADLO c1nc(C[N@@H+]2CCCn3nncc3C2)c[nH]1 ZINC000886463008 592228034 /nfs/dbraw/zinc/22/80/34/592228034.db2.gz MAAIFJIRYZFXEH-UHFFFAOYSA-N 1 2 218.264 0.407 20 0 BCADLO c1nc(C[N@H+]2CCCn3nncc3C2)c[nH]1 ZINC000886463008 592228035 /nfs/dbraw/zinc/22/80/35/592228035.db2.gz MAAIFJIRYZFXEH-UHFFFAOYSA-N 1 2 218.264 0.407 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCn2nncc2C1 ZINC000886468559 592229916 /nfs/dbraw/zinc/22/99/16/592229916.db2.gz GJXPKYKDXWHMMA-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCn2nncc2C1 ZINC000886468559 592229917 /nfs/dbraw/zinc/22/99/17/592229917.db2.gz GJXPKYKDXWHMMA-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCCn2nncc2C1 ZINC000886468559 592229919 /nfs/dbraw/zinc/22/99/19/592229919.db2.gz GJXPKYKDXWHMMA-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCCn2nncc2C1 ZINC000886468559 592229920 /nfs/dbraw/zinc/22/99/20/592229920.db2.gz GJXPKYKDXWHMMA-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CCCn3nncc3C2)[nH]1 ZINC000886467062 592229982 /nfs/dbraw/zinc/22/99/82/592229982.db2.gz SNMWSVRLXSXYAS-QMMMGPOBSA-N 1 2 247.306 0.672 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CCCn3nncc3C2)[nH]1 ZINC000886467062 592229983 /nfs/dbraw/zinc/22/99/83/592229983.db2.gz SNMWSVRLXSXYAS-QMMMGPOBSA-N 1 2 247.306 0.672 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886508901 592239034 /nfs/dbraw/zinc/23/90/34/592239034.db2.gz RNGBVKPIYVMRGA-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886508901 592239039 /nfs/dbraw/zinc/23/90/39/592239039.db2.gz RNGBVKPIYVMRGA-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ncco1 ZINC000886528930 592247076 /nfs/dbraw/zinc/24/70/76/592247076.db2.gz TZMRYBATBAUFKS-BDAKNGLRSA-N 1 2 223.276 0.994 20 0 BCADLO C[C@H]([NH2+]CCN1CCCC1=O)c1ncco1 ZINC000886530995 592247708 /nfs/dbraw/zinc/24/77/08/592247708.db2.gz UYPZDJJVFXLMIB-VIFPVBQESA-N 1 2 223.276 0.948 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ncco1 ZINC000886528932 592247996 /nfs/dbraw/zinc/24/79/96/592247996.db2.gz TZMRYBATBAUFKS-IUCAKERBSA-N 1 2 223.276 0.994 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)COC1CC1)C2 ZINC000886606399 592274546 /nfs/dbraw/zinc/27/45/46/592274546.db2.gz VTMFXMHSFGYNBC-UHFFFAOYSA-N 1 2 249.314 0.967 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000886616332 592276494 /nfs/dbraw/zinc/27/64/94/592276494.db2.gz AGSZNABXVKMSSH-LBPRGKRZSA-N 1 2 249.314 0.967 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886813236 592336043 /nfs/dbraw/zinc/33/60/43/592336043.db2.gz GZKXEGOMUOXZTO-QMMMGPOBSA-N 1 2 225.210 0.822 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000886822246 592344991 /nfs/dbraw/zinc/34/49/91/592344991.db2.gz ODZTWVHGOCYJSL-IUCAKERBSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000886822246 592344995 /nfs/dbraw/zinc/34/49/95/592344995.db2.gz ODZTWVHGOCYJSL-IUCAKERBSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000886822244 592345691 /nfs/dbraw/zinc/34/56/91/592345691.db2.gz ODZTWVHGOCYJSL-BDAKNGLRSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000886822244 592345700 /nfs/dbraw/zinc/34/57/00/592345700.db2.gz ODZTWVHGOCYJSL-BDAKNGLRSA-N 1 2 238.291 0.511 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCOC1=O)[C@@H]1CCCOC1 ZINC000886908589 592395853 /nfs/dbraw/zinc/39/58/53/592395853.db2.gz VPSXAFCABAZKIU-MXWKQRLJSA-N 1 2 243.303 0.333 20 0 BCADLO Cc1nonc1C[N@H+](CCO)C1CCC1 ZINC000221195176 592398977 /nfs/dbraw/zinc/39/89/77/592398977.db2.gz PMIIHFXSAACCRV-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nonc1C[N@@H+](CCO)C1CCC1 ZINC000221195176 592398982 /nfs/dbraw/zinc/39/89/82/592398982.db2.gz PMIIHFXSAACCRV-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCCO ZINC000886953307 592400190 /nfs/dbraw/zinc/40/01/90/592400190.db2.gz XUGPKJRYGAYBSL-MNOVXSKESA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](C)OC ZINC000886946364 592400566 /nfs/dbraw/zinc/40/05/66/592400566.db2.gz JUDXTWDCCTZSQE-MXWKQRLJSA-N 1 2 245.319 0.722 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886950960 592401168 /nfs/dbraw/zinc/40/11/68/592401168.db2.gz UNLZLBXZGVEOKB-VWYCJHECSA-N 1 2 245.319 0.458 20 0 BCADLO COCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887070166 592433725 /nfs/dbraw/zinc/43/37/25/592433725.db2.gz HHXACEJBWOEBMB-QMMMGPOBSA-N 1 2 219.306 0.223 20 0 BCADLO COCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887070166 592433730 /nfs/dbraw/zinc/43/37/30/592433730.db2.gz HHXACEJBWOEBMB-QMMMGPOBSA-N 1 2 219.306 0.223 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCCO ZINC000887071762 592434529 /nfs/dbraw/zinc/43/45/29/592434529.db2.gz AWMGTWRIBBBIGS-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCCCO ZINC000887071762 592434532 /nfs/dbraw/zinc/43/45/32/592434532.db2.gz AWMGTWRIBBBIGS-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO OCC[C@H](NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000887079110 592435006 /nfs/dbraw/zinc/43/50/06/592435006.db2.gz KEQDIYVEIJJDMN-ZETCQYMHSA-N 1 2 223.198 0.813 20 0 BCADLO OCC[C@H](NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000887079110 592435007 /nfs/dbraw/zinc/43/50/07/592435007.db2.gz KEQDIYVEIJJDMN-ZETCQYMHSA-N 1 2 223.198 0.813 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)CO ZINC000887075277 592435686 /nfs/dbraw/zinc/43/56/86/592435686.db2.gz AKKTYQMFVLTJNI-RKDXNWHRSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)CO ZINC000887075277 592435690 /nfs/dbraw/zinc/43/56/90/592435690.db2.gz AKKTYQMFVLTJNI-RKDXNWHRSA-N 1 2 233.333 0.205 20 0 BCADLO CCn1cc(C[N@@H+]2CCSC[C@@H]2CO)nn1 ZINC000887254870 592471895 /nfs/dbraw/zinc/47/18/95/592471895.db2.gz RVBLHPIKMNWLKF-JTQLQIEISA-N 1 2 242.348 0.208 20 0 BCADLO CCn1cc(C[N@H+]2CCSC[C@@H]2CO)nn1 ZINC000887254870 592471899 /nfs/dbraw/zinc/47/18/99/592471899.db2.gz RVBLHPIKMNWLKF-JTQLQIEISA-N 1 2 242.348 0.208 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCCSC1)CC[NH2+]C2 ZINC000887299377 592479226 /nfs/dbraw/zinc/47/92/26/592479226.db2.gz YAYPWVWOEQSIAB-RKDXNWHRSA-N 1 2 239.344 0.690 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(C2(O)CCC2)CC1 ZINC000887529308 592517938 /nfs/dbraw/zinc/51/79/38/592517938.db2.gz BJCFWOPWJNLGCW-UHFFFAOYSA-N 1 2 249.314 0.695 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1(C2(O)CCC2)CC1 ZINC000887534234 592519240 /nfs/dbraw/zinc/51/92/40/592519240.db2.gz CVKNNPCCYFJYSN-UHFFFAOYSA-N 1 2 249.314 0.764 20 0 BCADLO CCn1cc(C[N@@H+]2CCCOC[C@H]2C)nn1 ZINC000887546355 592522093 /nfs/dbraw/zinc/52/20/93/592522093.db2.gz NDRZNFBGPMUJOO-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCCOC[C@H]2C)nn1 ZINC000887546355 592522094 /nfs/dbraw/zinc/52/20/94/592522094.db2.gz NDRZNFBGPMUJOO-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO Cc1cc(NC(=O)N[C@]23C[C@H]2COC3)cc[nH+]1 ZINC000887933756 592560824 /nfs/dbraw/zinc/56/08/24/592560824.db2.gz DXVJAPGGLGHOJF-CABZTGNLSA-N 1 2 233.271 0.722 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H]1CO ZINC000889132556 592584349 /nfs/dbraw/zinc/58/43/49/592584349.db2.gz LFRQUOVQTZIZAT-NSHDSACASA-N 1 2 245.282 0.470 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100429 592679240 /nfs/dbraw/zinc/67/92/40/592679240.db2.gz XEGQWRDLFISEGH-DVVUODLYSA-N 1 2 237.303 0.707 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103836 592679966 /nfs/dbraw/zinc/67/99/66/592679966.db2.gz DRRUAOFRPBEODM-LLVKDONJSA-N 1 2 239.319 0.978 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103455 592680252 /nfs/dbraw/zinc/68/02/52/592680252.db2.gz LRISYFCRQZHQLI-PSASIEDQSA-N 1 2 225.292 0.443 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnc3n2CCC3)c1 ZINC000890104048 592680281 /nfs/dbraw/zinc/68/02/81/592680281.db2.gz UJRLPCDBQCYOAH-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO C[C@@H](CC(=O)NCc1cn(C)cn1)n1cc[nH+]c1 ZINC000890103725 592680522 /nfs/dbraw/zinc/68/05/22/592680522.db2.gz CDMALRPOENNHKO-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104573 592681375 /nfs/dbraw/zinc/68/13/75/592681375.db2.gz MWQMVAXBOSXNOP-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cn3c(n2)CCC3)c1 ZINC000890105122 592682100 /nfs/dbraw/zinc/68/21/00/592682100.db2.gz WSDOJILTLCYQCO-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107740 592682504 /nfs/dbraw/zinc/68/25/04/592682504.db2.gz PQDAUXVDEHIEPM-VHSXEESVSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890108106 592682581 /nfs/dbraw/zinc/68/25/81/592682581.db2.gz UQHNNXSGEGVNQF-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2ccoc2)c1 ZINC000890108412 592682859 /nfs/dbraw/zinc/68/28/59/592682859.db2.gz ZDOOCMIYQGXVLH-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC2CCOCC2)c1 ZINC000890113642 592684194 /nfs/dbraw/zinc/68/41/94/592684194.db2.gz KVDDXLGXHKJHJU-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2cccnc2)c1 ZINC000890110416 592684347 /nfs/dbraw/zinc/68/43/47/592684347.db2.gz OUPAGMCJRBYAAZ-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCOC2)c1 ZINC000890113697 592684763 /nfs/dbraw/zinc/68/47/63/592684763.db2.gz LXFUTOAMSOVZMU-VIFPVBQESA-N 1 2 223.276 0.463 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117311 592685278 /nfs/dbraw/zinc/68/52/78/592685278.db2.gz KLZASJLVMJFWFS-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO CCc1ncncc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890116965 592685336 /nfs/dbraw/zinc/68/53/36/592685336.db2.gz JERYQMYERWUWFR-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO CC[C@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114479 592685571 /nfs/dbraw/zinc/68/55/71/592685571.db2.gz MFQLBNIJDWROBB-VIFPVBQESA-N 1 2 211.265 0.461 20 0 BCADLO Cc1nnsc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117752 592685989 /nfs/dbraw/zinc/68/59/89/592685989.db2.gz VGBBOOZAXQRSBM-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890117383 592686054 /nfs/dbraw/zinc/68/60/54/592686054.db2.gz PTSUAZIOPCIEFM-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000043411512 598214755 /nfs/dbraw/zinc/21/47/55/598214755.db2.gz IGCUXUZTQHDUQP-MRVPVSSYSA-N 1 2 202.298 0.779 20 0 BCADLO CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000395826610 605141479 /nfs/dbraw/zinc/14/14/79/605141479.db2.gz XOMCFCIBXMRVNI-SECBINFHSA-N 1 2 225.292 0.972 20 0 BCADLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093235721 634477165 /nfs/dbraw/zinc/47/71/65/634477165.db2.gz GUALIGRKHNRBAW-LLVKDONJSA-N 1 2 231.299 0.824 20 0 BCADLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093235721 634477171 /nfs/dbraw/zinc/47/71/71/634477171.db2.gz GUALIGRKHNRBAW-LLVKDONJSA-N 1 2 231.299 0.824 20 0 BCADLO COC(=O)[C@H](F)CSc1nc(N)cc(C)[nH+]1 ZINC000125438116 634497415 /nfs/dbraw/zinc/49/74/15/634497415.db2.gz QNCBQKQKWNYFMD-ZCFIWIBFSA-N 1 2 245.279 0.970 20 0 BCADLO Cc1cc(C[NH2+]Cc2cn(C)nn2)cnc1F ZINC000893506723 634544278 /nfs/dbraw/zinc/54/42/78/634544278.db2.gz YJEAWTAXTWROOJ-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001009817613 634591120 /nfs/dbraw/zinc/59/11/20/634591120.db2.gz VDLNPFGYJVCNOX-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001009817613 634591125 /nfs/dbraw/zinc/59/11/25/634591125.db2.gz VDLNPFGYJVCNOX-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@@H](O)C1CCC1 ZINC000909394078 634605956 /nfs/dbraw/zinc/60/59/56/634605956.db2.gz WZWNHXFIMIFDST-LLVKDONJSA-N 1 2 249.314 0.771 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)CCn1cc[nH+]c1 ZINC000925839713 635501387 /nfs/dbraw/zinc/50/13/87/635501387.db2.gz JJJHPFRIHSBFAT-OAHLLOKOSA-N 1 2 229.305 0.918 20 0 BCADLO CCCNc1cc(N2CC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000233207463 635528436 /nfs/dbraw/zinc/52/84/36/635528436.db2.gz ZPSQMVOQQKQQTP-SECBINFHSA-N 1 2 249.318 0.610 20 0 BCADLO CCCNc1cc(N2CC[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000233207463 635528445 /nfs/dbraw/zinc/52/84/45/635528445.db2.gz ZPSQMVOQQKQQTP-SECBINFHSA-N 1 2 249.318 0.610 20 0 BCADLO CCCNc1cc(N2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000233207730 635529703 /nfs/dbraw/zinc/52/97/03/635529703.db2.gz ZPSQMVOQQKQQTP-VIFPVBQESA-N 1 2 249.318 0.610 20 0 BCADLO CCCNc1cc(N2CC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000233207730 635529711 /nfs/dbraw/zinc/52/97/11/635529711.db2.gz ZPSQMVOQQKQQTP-VIFPVBQESA-N 1 2 249.318 0.610 20 0 BCADLO CNc1cc(N2CC[C@@](C)(C(N)=O)C2)nc[nH+]1 ZINC000234584351 635555859 /nfs/dbraw/zinc/55/58/59/635555859.db2.gz WLACASNGKRPTJX-LLVKDONJSA-N 1 2 235.291 0.220 20 0 BCADLO CNc1cc(N2CC[C@@](C)(C(N)=O)C2)[nH+]cn1 ZINC000234584351 635555864 /nfs/dbraw/zinc/55/58/64/635555864.db2.gz WLACASNGKRPTJX-LLVKDONJSA-N 1 2 235.291 0.220 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cccnc1F ZINC000236182649 635596692 /nfs/dbraw/zinc/59/66/92/635596692.db2.gz NQOQIYKYRPBSKC-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CCOCCOCC[N@@H+]1CCOC[C@H]1COC ZINC000933327277 631254967 /nfs/dbraw/zinc/25/49/67/631254967.db2.gz NQXJGNRJPPPQBN-GFCCVEGCSA-N 1 2 247.335 0.387 20 0 BCADLO CCOCCOCC[N@H+]1CCOC[C@H]1COC ZINC000933327277 631254972 /nfs/dbraw/zinc/25/49/72/631254972.db2.gz NQXJGNRJPPPQBN-GFCCVEGCSA-N 1 2 247.335 0.387 20 0 BCADLO O=C1C[N@@H+](CCCCO)[C@@H](c2ccccc2)CN1 ZINC000933326868 631258421 /nfs/dbraw/zinc/25/84/21/631258421.db2.gz MGCAUARJPLTRIN-CYBMUJFWSA-N 1 2 248.326 0.932 20 0 BCADLO O=C1C[N@H+](CCCCO)[C@@H](c2ccccc2)CN1 ZINC000933326868 631258430 /nfs/dbraw/zinc/25/84/30/631258430.db2.gz MGCAUARJPLTRIN-CYBMUJFWSA-N 1 2 248.326 0.932 20 0 BCADLO O=C1C[N@@H+](CCCO)[C@H](c2ccccc2)CN1 ZINC000933326586 631259381 /nfs/dbraw/zinc/25/93/81/631259381.db2.gz KAUPVWMGDCJRKW-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1C[N@H+](CCCO)[C@H](c2ccccc2)CN1 ZINC000933326586 631259385 /nfs/dbraw/zinc/25/93/85/631259385.db2.gz KAUPVWMGDCJRKW-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO Nc1ccc(CNC(=O)C[C@H]2CCCO2)c[nH+]1 ZINC000308392103 631310836 /nfs/dbraw/zinc/31/08/36/631310836.db2.gz NPTKRJKUWPIFML-SNVBAGLBSA-N 1 2 235.287 0.849 20 0 BCADLO CCc1cc(N2CCNC(=O)C2)nc(CC)[nH+]1 ZINC000891470178 631373523 /nfs/dbraw/zinc/37/35/23/631373523.db2.gz CCPAKWLXYOPMBY-UHFFFAOYSA-N 1 2 234.303 0.538 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000891514438 631382333 /nfs/dbraw/zinc/38/23/33/631382333.db2.gz ROXSAFBTJFHFHJ-ONGXEEELSA-N 1 2 237.303 0.504 20 0 BCADLO CN(CC(=O)NC1CC1)c1nccn2c[nH+]cc12 ZINC000891573637 631395300 /nfs/dbraw/zinc/39/53/00/631395300.db2.gz HCVSPOAFIXHRCR-UHFFFAOYSA-N 1 2 245.286 0.444 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538887 631398592 /nfs/dbraw/zinc/39/85/92/631398592.db2.gz MTGYPWUMOMVPGC-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538887 631398597 /nfs/dbraw/zinc/39/85/97/631398597.db2.gz MTGYPWUMOMVPGC-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933536241 631399268 /nfs/dbraw/zinc/39/92/68/631399268.db2.gz WSRGFASBMBLLMA-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933536241 631399272 /nfs/dbraw/zinc/39/92/72/631399272.db2.gz WSRGFASBMBLLMA-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C(=O)OC(C)(C)C ZINC000290690964 631425565 /nfs/dbraw/zinc/42/55/65/631425565.db2.gz UNHNWUJDEVIHGP-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO CCCNc1cc(N2CC[C@H](O)C2)nc[nH+]1 ZINC000087828689 631482517 /nfs/dbraw/zinc/48/25/17/631482517.db2.gz XWCFDDNIBWOPAK-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO CCCNc1cc(N2CC[C@H](O)C2)[nH+]cn1 ZINC000087828689 631482521 /nfs/dbraw/zinc/48/25/21/631482521.db2.gz XWCFDDNIBWOPAK-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926263318 631527657 /nfs/dbraw/zinc/52/76/57/631527657.db2.gz PNHYOAPDZHAINZ-DTWKUNHWSA-N 1 2 239.323 0.333 20 0 BCADLO Cc1nonc1C[N@H+](CCCO)C1CC1 ZINC000308732609 631558544 /nfs/dbraw/zinc/55/85/44/631558544.db2.gz AUALQYWEBMNHJX-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nonc1C[N@@H+](CCCO)C1CC1 ZINC000308732609 631558549 /nfs/dbraw/zinc/55/85/49/631558549.db2.gz AUALQYWEBMNHJX-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934010416 631584745 /nfs/dbraw/zinc/58/47/45/631584745.db2.gz CYJIIKDSWXWUAP-VIFPVBQESA-N 1 2 214.309 0.215 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]1CO ZINC000934010416 631584752 /nfs/dbraw/zinc/58/47/52/631584752.db2.gz CYJIIKDSWXWUAP-VIFPVBQESA-N 1 2 214.309 0.215 20 0 BCADLO CCC(=O)CCN1CCN(C)CC[N@H+](C)CC1 ZINC000933992732 631579469 /nfs/dbraw/zinc/57/94/69/631579469.db2.gz PQJOPMGGMCUVKL-UHFFFAOYSA-N 1 2 241.379 0.535 20 0 BCADLO CCC(=O)CCN1CCN(C)CC[N@@H+](C)CC1 ZINC000933992732 631579477 /nfs/dbraw/zinc/57/94/77/631579477.db2.gz PQJOPMGGMCUVKL-UHFFFAOYSA-N 1 2 241.379 0.535 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000934010427 631585268 /nfs/dbraw/zinc/58/52/68/631585268.db2.gz DCSOMOFQTZNPNZ-NSHDSACASA-N 1 2 207.277 0.396 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000934010427 631585275 /nfs/dbraw/zinc/58/52/75/631585275.db2.gz DCSOMOFQTZNPNZ-NSHDSACASA-N 1 2 207.277 0.396 20 0 BCADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@H]2CO)on1 ZINC000934011097 631588365 /nfs/dbraw/zinc/58/83/65/631588365.db2.gz JILCCHGYCMTRNJ-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO CCOC(=O)c1cc(C[N@H+]2CC[C@@H]2CO)on1 ZINC000934011097 631588367 /nfs/dbraw/zinc/58/83/67/631588367.db2.gz JILCCHGYCMTRNJ-MRVPVSSYSA-N 1 2 240.259 0.418 20 0 BCADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H]2CO)n1 ZINC000934012890 631590822 /nfs/dbraw/zinc/59/08/22/631590822.db2.gz FFRIINKIUNGIOT-IUCAKERBSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H]2CO)n1 ZINC000934012890 631590831 /nfs/dbraw/zinc/59/08/31/631590831.db2.gz FFRIINKIUNGIOT-IUCAKERBSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H]2CO)n1 ZINC000934012886 631591976 /nfs/dbraw/zinc/59/19/76/631591976.db2.gz FFRIINKIUNGIOT-BDAKNGLRSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H]2CO)n1 ZINC000934012886 631591980 /nfs/dbraw/zinc/59/19/80/631591980.db2.gz FFRIINKIUNGIOT-BDAKNGLRSA-N 1 2 223.276 0.618 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@H]2CO)nn1 ZINC000934014462 631599399 /nfs/dbraw/zinc/59/93/99/631599399.db2.gz NNWXAVLCDBEIDA-VIFPVBQESA-N 1 2 209.249 0.052 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@H]2CO)nn1 ZINC000934014462 631599403 /nfs/dbraw/zinc/59/94/03/631599403.db2.gz NNWXAVLCDBEIDA-VIFPVBQESA-N 1 2 209.249 0.052 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@H]2CO)CCN1c1ccccc1 ZINC000934024775 631601046 /nfs/dbraw/zinc/60/10/46/631601046.db2.gz WQPGMWJUOPLJMR-QWHCGFSZSA-N 1 2 246.310 0.859 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@H]2CO)CCN1c1ccccc1 ZINC000934024775 631601049 /nfs/dbraw/zinc/60/10/49/631601049.db2.gz WQPGMWJUOPLJMR-QWHCGFSZSA-N 1 2 246.310 0.859 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NC1CCCCC1 ZINC000934024972 631602337 /nfs/dbraw/zinc/60/23/37/631602337.db2.gz BYBFYWPMYGNIOS-NSHDSACASA-N 1 2 226.320 0.502 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NC1CCCCC1 ZINC000934024972 631602340 /nfs/dbraw/zinc/60/23/40/631602340.db2.gz BYBFYWPMYGNIOS-NSHDSACASA-N 1 2 226.320 0.502 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000934025972 631604039 /nfs/dbraw/zinc/60/40/39/631604039.db2.gz ILFMYMHIYDFDJF-NSHDSACASA-N 1 2 217.272 0.901 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cc1cn2ccccc2n1 ZINC000934025972 631604042 /nfs/dbraw/zinc/60/40/42/631604042.db2.gz ILFMYMHIYDFDJF-NSHDSACASA-N 1 2 217.272 0.901 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]1CO ZINC000934023194 631622150 /nfs/dbraw/zinc/62/21/50/631622150.db2.gz CXEBRMFCJDMTFA-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]1CO ZINC000934023194 631622157 /nfs/dbraw/zinc/62/21/57/631622157.db2.gz CXEBRMFCJDMTFA-IUCAKERBSA-N 1 2 201.266 0.395 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NCC1CCCCC1 ZINC000934028845 631628269 /nfs/dbraw/zinc/62/82/69/631628269.db2.gz CPTFSGGAQOBQMG-LBPRGKRZSA-N 1 2 240.347 0.750 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NCC1CCCCC1 ZINC000934028845 631628272 /nfs/dbraw/zinc/62/82/72/631628272.db2.gz CPTFSGGAQOBQMG-LBPRGKRZSA-N 1 2 240.347 0.750 20 0 BCADLO CCC[N@H+](CCC(C)=O)CC(=O)OC ZINC000178718443 635669118 /nfs/dbraw/zinc/66/91/18/635669118.db2.gz CBBJMISQSFWBCZ-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO CCC[N@@H+](CCC(C)=O)CC(=O)OC ZINC000178718443 635669123 /nfs/dbraw/zinc/66/91/23/635669123.db2.gz CBBJMISQSFWBCZ-UHFFFAOYSA-N 1 2 201.266 0.851 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1csnn1 ZINC000934035462 631634798 /nfs/dbraw/zinc/63/47/98/631634798.db2.gz PSYYZGDEFPAWFF-NQMVMOMDSA-N 1 2 243.332 0.993 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ncccn1 ZINC000934034761 631634815 /nfs/dbraw/zinc/63/48/15/631634815.db2.gz GQGRMBFELFCCOF-HBNTYKKESA-N 1 2 237.303 0.931 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1csnn1 ZINC000934035463 631635531 /nfs/dbraw/zinc/63/55/31/631635531.db2.gz PSYYZGDEFPAWFF-QXFUBDJGSA-N 1 2 243.332 0.993 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000234557721 631637549 /nfs/dbraw/zinc/63/75/49/631637549.db2.gz XVRRBUXQSSZMGM-UWVGGRQHSA-N 1 2 213.277 0.299 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000924873214 635682449 /nfs/dbraw/zinc/68/24/49/635682449.db2.gz PVVFDJRDJWRBQV-XPUUQOCRSA-N 1 2 224.264 0.307 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000176286091 631669227 /nfs/dbraw/zinc/66/92/27/631669227.db2.gz XIJQTDMXDVNTEN-JXDHDYMSSA-N 1 2 239.363 0.705 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1nnnn1C ZINC000934113859 631688924 /nfs/dbraw/zinc/68/89/24/631688924.db2.gz PLILLNUVBUXVMD-XHNCKOQMSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000934113859 631688928 /nfs/dbraw/zinc/68/89/28/631688928.db2.gz PLILLNUVBUXVMD-XHNCKOQMSA-N 1 2 225.296 0.380 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000934132665 631708201 /nfs/dbraw/zinc/70/82/01/631708201.db2.gz VFYQMRRJJXOGNK-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934132665 631708205 /nfs/dbraw/zinc/70/82/05/631708205.db2.gz VFYQMRRJJXOGNK-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO CCN(C(=O)[C@@H]1C[C@H]1C)C1C[NH+](CCO)C1 ZINC000949611719 631742236 /nfs/dbraw/zinc/74/22/36/631742236.db2.gz CBKFJAOZLYPHJW-MWLCHTKSSA-N 1 2 226.320 0.167 20 0 BCADLO O[C@H](C[NH2+]Cc1csnn1)c1ccco1 ZINC000308937236 631743497 /nfs/dbraw/zinc/74/34/97/631743497.db2.gz OOJZDYVLCWDDFH-MRVPVSSYSA-N 1 2 225.273 0.954 20 0 BCADLO CCCOC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000308967212 631773950 /nfs/dbraw/zinc/77/39/50/631773950.db2.gz NCMCCOYSJKGQFR-VIFPVBQESA-N 1 2 216.281 0.453 20 0 BCADLO CCCOC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000308967212 631773953 /nfs/dbraw/zinc/77/39/53/631773953.db2.gz NCMCCOYSJKGQFR-VIFPVBQESA-N 1 2 216.281 0.453 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](CO)C1CC1 ZINC000309040966 631823853 /nfs/dbraw/zinc/82/38/53/631823853.db2.gz LFNDICYNLWXMFD-NXEZZACHSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@](O)(C[NH2+]Cc1c[nH]cn1)C(F)(F)F ZINC000309042938 631827943 /nfs/dbraw/zinc/82/79/43/631827943.db2.gz MIZGVKQGIZPPDA-ZETCQYMHSA-N 1 2 223.198 0.813 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000045695475 631846311 /nfs/dbraw/zinc/84/63/11/631846311.db2.gz OUIWDDXQDGNDKD-RKDXNWHRSA-N 1 2 203.282 0.810 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000309117027 631889010 /nfs/dbraw/zinc/88/90/10/631889010.db2.gz LXYBYHLTFRTOSV-VIFPVBQESA-N 1 2 210.281 0.019 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000309117027 631889015 /nfs/dbraw/zinc/88/90/15/631889015.db2.gz LXYBYHLTFRTOSV-VIFPVBQESA-N 1 2 210.281 0.019 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000049773490 631914161 /nfs/dbraw/zinc/91/41/61/631914161.db2.gz WIFWUVIHXOIIFQ-JTQLQIEISA-N 1 2 215.293 0.786 20 0 BCADLO CCCCOC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000049773490 631914166 /nfs/dbraw/zinc/91/41/66/631914166.db2.gz WIFWUVIHXOIIFQ-JTQLQIEISA-N 1 2 215.293 0.786 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C[C@H]1F ZINC000934559882 631921454 /nfs/dbraw/zinc/92/14/54/631921454.db2.gz FPAVOBSPIAPCMT-HBNTYKKESA-N 1 2 233.283 0.197 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C[C@H]1F ZINC000934559882 631921457 /nfs/dbraw/zinc/92/14/57/631921457.db2.gz FPAVOBSPIAPCMT-HBNTYKKESA-N 1 2 233.283 0.197 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@H](O)[C@H](F)C1 ZINC000934569444 631933443 /nfs/dbraw/zinc/93/34/43/631933443.db2.gz GSJQYKALZBSCNP-UTUOFQBUSA-N 1 2 246.326 0.112 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](O)[C@H](F)C2)[nH+]c1C ZINC000934568056 631934087 /nfs/dbraw/zinc/93/40/87/631934087.db2.gz SPHWJUBMXKMOMS-NXEZZACHSA-N 1 2 227.283 0.931 20 0 BCADLO O=c1ccccn1CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934570612 631944343 /nfs/dbraw/zinc/94/43/43/631944343.db2.gz MASARLVOWZZSTO-MNOVXSKESA-N 1 2 240.278 0.253 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934570612 631944347 /nfs/dbraw/zinc/94/43/47/631944347.db2.gz MASARLVOWZZSTO-MNOVXSKESA-N 1 2 240.278 0.253 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000934573374 631946594 /nfs/dbraw/zinc/94/65/94/631946594.db2.gz FKIGZGRKAIBNDU-VHSXEESVSA-N 1 2 213.256 0.325 20 0 BCADLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052007823 632040292 /nfs/dbraw/zinc/04/02/92/632040292.db2.gz KEFGYBHOLOWGCF-LLVKDONJSA-N 1 2 247.298 0.869 20 0 BCADLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052007823 632040301 /nfs/dbraw/zinc/04/03/01/632040301.db2.gz KEFGYBHOLOWGCF-LLVKDONJSA-N 1 2 247.298 0.869 20 0 BCADLO CC[N@H+](CC(=O)N(C)OC)Cc1ccccn1 ZINC000091513522 632044653 /nfs/dbraw/zinc/04/46/53/632044653.db2.gz FEZVPUXNJJTEDR-UHFFFAOYSA-N 1 2 237.303 0.923 20 0 BCADLO CC[N@@H+](CC(=O)N(C)OC)Cc1ccccn1 ZINC000091513522 632044660 /nfs/dbraw/zinc/04/46/60/632044660.db2.gz FEZVPUXNJJTEDR-UHFFFAOYSA-N 1 2 237.303 0.923 20 0 BCADLO Cn1nnnc1SCc1ccc(N)[nH+]c1 ZINC000050833867 632061791 /nfs/dbraw/zinc/06/17/91/632061791.db2.gz MZTRWGBLFNYXCQ-UHFFFAOYSA-N 1 2 222.277 0.480 20 0 BCADLO CNc1cc(NC[C@]2(OC)CCOC2)[nH+]cn1 ZINC000161559233 632082636 /nfs/dbraw/zinc/08/26/36/632082636.db2.gz LAIKNDORZVVOGZ-LLVKDONJSA-N 1 2 238.291 0.736 20 0 BCADLO CNc1cc(NC[C@@]2(OC)CCOC2)[nH+]cn1 ZINC000161559376 632082441 /nfs/dbraw/zinc/08/24/41/632082441.db2.gz LAIKNDORZVVOGZ-NSHDSACASA-N 1 2 238.291 0.736 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000308886541 632083128 /nfs/dbraw/zinc/08/31/28/632083128.db2.gz GGXCLPQCUQTXCE-QMMMGPOBSA-N 1 2 210.281 0.034 20 0 BCADLO CCC1(C(=O)NCc2ccc(N)[nH+]c2)COC1 ZINC000927777659 635744155 /nfs/dbraw/zinc/74/41/55/635744155.db2.gz XRLQRFWPLZWSPK-UHFFFAOYSA-N 1 2 235.287 0.707 20 0 BCADLO CO[C@@](C)(C[NH2+][C@H]1CCOC1=O)C1CC1 ZINC000308911421 632410210 /nfs/dbraw/zinc/41/02/10/632410210.db2.gz DTVGQKVFDCTVJH-ONGXEEELSA-N 1 2 213.277 0.707 20 0 BCADLO C[C@@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C=CCC1 ZINC000935018617 632414276 /nfs/dbraw/zinc/41/42/76/632414276.db2.gz ZBRCWNPZOLQKEA-TZMCWYRMSA-N 1 2 249.358 0.459 20 0 BCADLO CNc1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000309487670 632418309 /nfs/dbraw/zinc/41/83/09/632418309.db2.gz XLGMOBRIVYJCKE-ZETCQYMHSA-N 1 2 221.264 0.161 20 0 BCADLO CNc1cc(N[C@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000309487670 632418312 /nfs/dbraw/zinc/41/83/12/632418312.db2.gz XLGMOBRIVYJCKE-ZETCQYMHSA-N 1 2 221.264 0.161 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cnn(C)n1 ZINC000926547474 632476056 /nfs/dbraw/zinc/47/60/56/632476056.db2.gz GMTRJNPERUGKAC-FBIMIBRVSA-N 1 2 240.307 0.270 20 0 BCADLO Nc1ccc(CCC(=O)OCCCO)c[nH+]1 ZINC000309653912 632622112 /nfs/dbraw/zinc/62/21/12/632622112.db2.gz YNQIGLVZZGTLDC-UHFFFAOYSA-N 1 2 224.260 0.522 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CC1(C)COC1 ZINC000260953626 632687979 /nfs/dbraw/zinc/68/79/79/632687979.db2.gz HGMCNPLWKXKNJZ-SECBINFHSA-N 1 2 245.344 0.613 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CC1(C)COC1 ZINC000260953626 632687981 /nfs/dbraw/zinc/68/79/81/632687981.db2.gz HGMCNPLWKXKNJZ-SECBINFHSA-N 1 2 245.344 0.613 20 0 BCADLO CN(C)c1cc(NCCC[S@](C)=O)[nH+]cn1 ZINC000892448618 632722529 /nfs/dbraw/zinc/72/25/29/632722529.db2.gz CJXMNVVXFDJIBH-INIZCTEOSA-N 1 2 242.348 0.723 20 0 BCADLO CN(C)c1cc(NCCC[S@](C)=O)nc[nH+]1 ZINC000892448618 632722532 /nfs/dbraw/zinc/72/25/32/632722532.db2.gz CJXMNVVXFDJIBH-INIZCTEOSA-N 1 2 242.348 0.723 20 0 BCADLO CN(C)c1cc(NCCC[S@@](C)=O)[nH+]cn1 ZINC000892448619 632723183 /nfs/dbraw/zinc/72/31/83/632723183.db2.gz CJXMNVVXFDJIBH-MRXNPFEDSA-N 1 2 242.348 0.723 20 0 BCADLO CN(C)c1cc(NCCC[S@@](C)=O)nc[nH+]1 ZINC000892448619 632723184 /nfs/dbraw/zinc/72/31/84/632723184.db2.gz CJXMNVVXFDJIBH-MRXNPFEDSA-N 1 2 242.348 0.723 20 0 BCADLO COC[C@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892488898 632783520 /nfs/dbraw/zinc/78/35/20/632783520.db2.gz ZKBPDTKIJNDHKE-LLVKDONJSA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892488898 632783523 /nfs/dbraw/zinc/78/35/23/632783523.db2.gz ZKBPDTKIJNDHKE-LLVKDONJSA-N 1 2 240.307 0.352 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000924574104 632939643 /nfs/dbraw/zinc/93/96/43/632939643.db2.gz GBJRZDFZBDYWEC-RKDXNWHRSA-N 1 2 237.307 0.398 20 0 BCADLO CCCN(CC(N)=O)c1cc(NC)[nH+]cn1 ZINC000309397034 633011593 /nfs/dbraw/zinc/01/15/93/633011593.db2.gz USLZFXFBPQINNN-UHFFFAOYSA-N 1 2 223.280 0.220 20 0 BCADLO CCCN(CC(N)=O)c1cc(NC)nc[nH+]1 ZINC000309397034 633011597 /nfs/dbraw/zinc/01/15/97/633011597.db2.gz USLZFXFBPQINNN-UHFFFAOYSA-N 1 2 223.280 0.220 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000892622384 633020969 /nfs/dbraw/zinc/02/09/69/633020969.db2.gz KCYUVURJOXTVFY-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000892622384 633020975 /nfs/dbraw/zinc/02/09/75/633020975.db2.gz KCYUVURJOXTVFY-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+][C@H]1[C@H]1CCOC1 ZINC000309419930 633045968 /nfs/dbraw/zinc/04/59/68/633045968.db2.gz DLVXSMZVLUMCMD-VHSXEESVSA-N 1 2 224.304 0.723 20 0 BCADLO COC(=O)[C@H](C)NCc1c(C)cc[nH+]c1N ZINC000894563309 635910175 /nfs/dbraw/zinc/91/01/75/635910175.db2.gz MMDRVABCSUSERT-QMMMGPOBSA-N 1 2 223.276 0.623 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC000894738403 635919834 /nfs/dbraw/zinc/91/98/34/635919834.db2.gz NMMXNTCCVYOPQU-SNVBAGLBSA-N 1 2 238.262 0.981 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC000894738403 635919838 /nfs/dbraw/zinc/91/98/38/635919838.db2.gz NMMXNTCCVYOPQU-SNVBAGLBSA-N 1 2 238.262 0.981 20 0 BCADLO COCCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000349815016 636045268 /nfs/dbraw/zinc/04/52/68/636045268.db2.gz WJKFPLJTGPOAER-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553541 636088162 /nfs/dbraw/zinc/08/81/62/636088162.db2.gz FZULHKGXDUKDBG-IUCAKERBSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553541 636088167 /nfs/dbraw/zinc/08/81/67/636088167.db2.gz FZULHKGXDUKDBG-IUCAKERBSA-N 1 2 249.318 0.045 20 0 BCADLO Cn1cccc1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928557697 636098584 /nfs/dbraw/zinc/09/85/84/636098584.db2.gz VUDZILDAIOGIPK-SECBINFHSA-N 1 2 235.287 0.028 20 0 BCADLO Cn1cccc1C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928557697 636098589 /nfs/dbraw/zinc/09/85/89/636098589.db2.gz VUDZILDAIOGIPK-SECBINFHSA-N 1 2 235.287 0.028 20 0 BCADLO Cc1cccc(N2CC[NH+](CC(=O)[O-])CC2)[nH+]1 ZINC000058022130 633834043 /nfs/dbraw/zinc/83/40/43/633834043.db2.gz WSRTXNZMGFIUMU-UHFFFAOYSA-N 1 2 235.287 0.597 20 0 BCADLO Cn1ccsc1=NC(=O)CCn1cc[nH+]c1 ZINC000725882641 633846082 /nfs/dbraw/zinc/84/60/82/633846082.db2.gz ZYXITQFKOKVJBW-UHFFFAOYSA-N 1 2 236.300 0.801 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000309447915 633920360 /nfs/dbraw/zinc/92/03/60/633920360.db2.gz LTWYPBOEGQAJJU-PSASIEDQSA-N 1 2 225.292 0.784 20 0 BCADLO C[NH+]1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000184162059 634000780 /nfs/dbraw/zinc/00/07/80/634000780.db2.gz JMSJZPWSXZDMEJ-UHFFFAOYSA-N 1 2 234.303 0.675 20 0 BCADLO CNc1cc(N2CCN(C)C(=O)[C@@H]2C)nc[nH+]1 ZINC000893273388 634034876 /nfs/dbraw/zinc/03/48/76/634034876.db2.gz IXTQDYBNHLPDSD-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N2CCN(C)C(=O)[C@@H]2C)[nH+]cn1 ZINC000893273388 634034880 /nfs/dbraw/zinc/03/48/80/634034880.db2.gz IXTQDYBNHLPDSD-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000310023926 634083626 /nfs/dbraw/zinc/08/36/26/634083626.db2.gz RNTKIBDVBHJRGR-BXKUYDPTSA-N 1 2 240.303 0.446 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCCC[C@H]1C(N)=O ZINC000310023926 634083633 /nfs/dbraw/zinc/08/36/33/634083633.db2.gz RNTKIBDVBHJRGR-BXKUYDPTSA-N 1 2 240.303 0.446 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000924126653 634105159 /nfs/dbraw/zinc/10/51/59/634105159.db2.gz YUBRWUQSHGRLPN-GMTAPVOTSA-N 1 2 243.303 0.285 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000924126653 634105164 /nfs/dbraw/zinc/10/51/64/634105164.db2.gz YUBRWUQSHGRLPN-GMTAPVOTSA-N 1 2 243.303 0.285 20 0 BCADLO CC(=O)CC[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189435037 634181686 /nfs/dbraw/zinc/18/16/86/634181686.db2.gz WJOIEJOWPWJGLS-NSHDSACASA-N 1 2 242.363 0.743 20 0 BCADLO CC(=O)CC[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189435037 634181687 /nfs/dbraw/zinc/18/16/87/634181687.db2.gz WJOIEJOWPWJGLS-NSHDSACASA-N 1 2 242.363 0.743 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC001027710129 635119596 /nfs/dbraw/zinc/11/95/96/635119596.db2.gz LLXJAFVLVYNPGF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC001027710129 635119600 /nfs/dbraw/zinc/11/96/00/635119600.db2.gz LLXJAFVLVYNPGF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CCOC(=O)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000314297483 635168719 /nfs/dbraw/zinc/16/87/19/635168719.db2.gz TXZAPIRRIMQKOF-OCAPTIKFSA-N 1 2 237.259 0.698 20 0 BCADLO CCOC(=O)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000314297483 635168725 /nfs/dbraw/zinc/16/87/25/635168725.db2.gz TXZAPIRRIMQKOF-OCAPTIKFSA-N 1 2 237.259 0.698 20 0 BCADLO CCN(C(=O)[C@H]1CC1(F)F)C1C[NH+](CCO)C1 ZINC000950031672 635214806 /nfs/dbraw/zinc/21/48/06/635214806.db2.gz YUORETWSYWHMJR-SECBINFHSA-N 1 2 248.273 0.167 20 0 BCADLO S=C(NCCn1cc[nH+]c1)NC1CC1 ZINC000048041074 635800721 /nfs/dbraw/zinc/80/07/21/635800721.db2.gz RXPUQYYEOSMZEX-UHFFFAOYSA-N 1 2 210.306 0.510 20 0 BCADLO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000894787490 635925298 /nfs/dbraw/zinc/92/52/98/635925298.db2.gz POJLCIVDQJQMRS-YPMHNXCESA-N 1 2 245.282 0.994 20 0 BCADLO CCC(C)(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928552024 636085130 /nfs/dbraw/zinc/08/51/30/636085130.db2.gz RXVKRNPFFLZCHY-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO CCC(C)(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928552024 636085132 /nfs/dbraw/zinc/08/51/32/636085132.db2.gz RXVKRNPFFLZCHY-SECBINFHSA-N 1 2 226.320 0.812 20 0 BCADLO CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469100 636146886 /nfs/dbraw/zinc/14/68/86/636146886.db2.gz CZUNGJIPJFIJDM-SNVBAGLBSA-N 1 2 222.292 0.926 20 0 BCADLO CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469100 636146891 /nfs/dbraw/zinc/14/68/91/636146891.db2.gz CZUNGJIPJFIJDM-SNVBAGLBSA-N 1 2 222.292 0.926 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000895464656 636147061 /nfs/dbraw/zinc/14/70/61/636147061.db2.gz JKKRHALJSPDCKV-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000895644445 636171164 /nfs/dbraw/zinc/17/11/64/636171164.db2.gz AJVHHFVXFRMFOD-ONGXEEELSA-N 1 2 222.292 0.255 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000895644445 636171168 /nfs/dbraw/zinc/17/11/68/636171168.db2.gz AJVHHFVXFRMFOD-ONGXEEELSA-N 1 2 222.292 0.255 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ncn(C)n2)[nH+]c1C ZINC000896910739 636253079 /nfs/dbraw/zinc/25/30/79/636253079.db2.gz VPJGFKHWDFOTSZ-UHFFFAOYSA-N 1 2 234.263 0.085 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCF ZINC000928647587 636258973 /nfs/dbraw/zinc/25/89/73/636258973.db2.gz IBOUIDMXXZOACJ-LLVKDONJSA-N 1 2 246.326 0.963 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000305790243 636333646 /nfs/dbraw/zinc/33/36/46/636333646.db2.gz TWYOSXSBITUQSD-SNVBAGLBSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000305790243 636333649 /nfs/dbraw/zinc/33/36/49/636333649.db2.gz TWYOSXSBITUQSD-SNVBAGLBSA-N 1 2 215.293 0.642 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@H]1C ZINC000985831596 636424471 /nfs/dbraw/zinc/42/44/71/636424471.db2.gz ATLSBZLKTJZCRR-XCBNKYQSSA-N 1 2 240.332 0.637 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000928895728 636472041 /nfs/dbraw/zinc/47/20/41/636472041.db2.gz CVMFHXUHWWNGIA-VWYCJHECSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000928896667 636472896 /nfs/dbraw/zinc/47/28/96/636472896.db2.gz GESZAALFYSPCNS-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000928905761 636488030 /nfs/dbraw/zinc/48/80/30/636488030.db2.gz CIXZKUFUJDHAJK-GXSJLCMTSA-N 1 2 237.303 0.504 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000928911918 636503056 /nfs/dbraw/zinc/50/30/56/636503056.db2.gz QBZZBHFJYCFPPO-WPRPVWTQSA-N 1 2 223.276 0.114 20 0 BCADLO C[C@H](CC(=O)N1CCOCN1)n1cc[nH+]c1 ZINC000928946491 636604151 /nfs/dbraw/zinc/60/41/51/636604151.db2.gz IXFMGMJZDYJLRI-SECBINFHSA-N 1 2 224.264 0.155 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC000074673159 636652305 /nfs/dbraw/zinc/65/23/05/636652305.db2.gz RVGLBCLXDDVPDD-VIFPVBQESA-N 1 2 209.249 0.247 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC000074673160 636653008 /nfs/dbraw/zinc/65/30/08/636653008.db2.gz RVGLBCLXDDVPDD-SECBINFHSA-N 1 2 209.249 0.247 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1=O ZINC000929132131 636817030 /nfs/dbraw/zinc/81/70/30/636817030.db2.gz DPBBREFGWQVZMX-SNVBAGLBSA-N 1 2 238.291 0.014 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2cnn(C)c2)C1=O ZINC000929132131 636817034 /nfs/dbraw/zinc/81/70/34/636817034.db2.gz DPBBREFGWQVZMX-SNVBAGLBSA-N 1 2 238.291 0.014 20 0 BCADLO CC[C@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000929155374 636858324 /nfs/dbraw/zinc/85/83/24/636858324.db2.gz ATFOVNLTAQMIKG-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765994 636888476 /nfs/dbraw/zinc/88/84/76/636888476.db2.gz USSLFNYRBZMIFJ-MRVPVSSYSA-N 1 2 240.332 0.565 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC000086765994 636888478 /nfs/dbraw/zinc/88/84/78/636888478.db2.gz USSLFNYRBZMIFJ-MRVPVSSYSA-N 1 2 240.332 0.565 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689784 636932491 /nfs/dbraw/zinc/93/24/91/636932491.db2.gz RGCUVLZFSFQWAW-QMMMGPOBSA-N 1 2 235.287 0.337 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689784 636932494 /nfs/dbraw/zinc/93/24/94/636932494.db2.gz RGCUVLZFSFQWAW-QMMMGPOBSA-N 1 2 235.287 0.337 20 0 BCADLO COC(OC)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898503007 637046265 /nfs/dbraw/zinc/04/62/65/637046265.db2.gz GDWDZVGOMKVNLM-VIFPVBQESA-N 1 2 248.298 0.155 20 0 BCADLO COC(OC)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898503007 637046269 /nfs/dbraw/zinc/04/62/69/637046269.db2.gz GDWDZVGOMKVNLM-VIFPVBQESA-N 1 2 248.298 0.155 20 0 BCADLO COC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898502608 637046414 /nfs/dbraw/zinc/04/64/14/637046414.db2.gz GVAZAFYKQHAEGT-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO COC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898502608 637046415 /nfs/dbraw/zinc/04/64/15/637046415.db2.gz GVAZAFYKQHAEGT-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C)CC1 ZINC000898888504 637062010 /nfs/dbraw/zinc/06/20/10/637062010.db2.gz PWUIIDKCWDPROR-QMMMGPOBSA-N 1 2 223.276 0.370 20 0 BCADLO CC(C)(CNC(=O)c1ncc[nH]1)n1cc[nH+]c1 ZINC000898909704 637063681 /nfs/dbraw/zinc/06/36/81/637063681.db2.gz SKCPSAJUUQMSIO-UHFFFAOYSA-N 1 2 233.275 0.771 20 0 BCADLO Cn1nncc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907256 637063698 /nfs/dbraw/zinc/06/36/98/637063698.db2.gz PPHRZKZCNQYBHE-UHFFFAOYSA-N 1 2 248.290 0.177 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(C1)CCOCC2 ZINC000900904697 637199436 /nfs/dbraw/zinc/19/94/36/637199436.db2.gz NIJWBTPOYXZWEM-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO C/C(=C/C(=O)NCC(F)F)C[NH+]1CCOCC1 ZINC000900906558 637202132 /nfs/dbraw/zinc/20/21/32/637202132.db2.gz NJCLTGQBMYWHAB-TWGQIWQCSA-N 1 2 248.273 0.646 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)C ZINC000905009333 637544926 /nfs/dbraw/zinc/54/49/26/637544926.db2.gz POALECGEYPYHMA-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO Cc1cc(C)c(C(=O)NCCO)c(C)[nH+]1 ZINC000905037102 637555752 /nfs/dbraw/zinc/55/57/52/637555752.db2.gz LIFLGCXDKVDWJC-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO CCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905145962 637654965 /nfs/dbraw/zinc/65/49/65/637654965.db2.gz UIJMDKSKDACERD-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000905151826 637662843 /nfs/dbraw/zinc/66/28/43/637662843.db2.gz OKPYLLCAROPJHX-ZJUUUORDSA-N 1 2 238.291 0.217 20 0 BCADLO CCNC(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905358029 637776839 /nfs/dbraw/zinc/77/68/39/637776839.db2.gz ZUVJSXLJIIOKIU-UHFFFAOYSA-N 1 2 249.314 0.873 20 0 BCADLO Cc1cc(C)c(C(=O)N[C@@H](C)C(N)=O)c(C)[nH+]1 ZINC000905522773 637843510 /nfs/dbraw/zinc/84/35/10/637843510.db2.gz XFSNHARZWQPADG-VIFPVBQESA-N 1 2 235.287 0.610 20 0 BCADLO CC1=NO[C@](C)(C(=O)NCc2c[nH+]cn2C)C1 ZINC000905663140 637875573 /nfs/dbraw/zinc/87/55/73/637875573.db2.gz BOIDUVRSOQNWIF-NSHDSACASA-N 1 2 236.275 0.591 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C)CC2)C1 ZINC000905743654 637904223 /nfs/dbraw/zinc/90/42/23/637904223.db2.gz XYDZJSFVDLJDMP-WDEREUQCSA-N 1 2 242.319 0.302 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C)CC2)C1 ZINC000905743654 637904227 /nfs/dbraw/zinc/90/42/27/637904227.db2.gz XYDZJSFVDLJDMP-WDEREUQCSA-N 1 2 242.319 0.302 20 0 BCADLO CC(C)(O)Cc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817752 637943279 /nfs/dbraw/zinc/94/32/79/637943279.db2.gz SMIRCXHAYHFYPX-UHFFFAOYSA-N 1 2 247.302 0.617 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000906128357 638056725 /nfs/dbraw/zinc/05/67/25/638056725.db2.gz BBWMXRILASDHGR-GARJFASQSA-N 1 2 237.303 0.670 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000906128360 638058010 /nfs/dbraw/zinc/05/80/10/638058010.db2.gz BBWMXRILASDHGR-OUAUKWLOSA-N 1 2 237.303 0.670 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906253863 638118776 /nfs/dbraw/zinc/11/87/76/638118776.db2.gz GDVSMMUASKYTQR-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906253863 638118784 /nfs/dbraw/zinc/11/87/84/638118784.db2.gz GDVSMMUASKYTQR-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906280139 638126566 /nfs/dbraw/zinc/12/65/66/638126566.db2.gz KZOHLINGCBTABJ-LDYMZIIASA-N 1 2 222.292 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906280139 638126569 /nfs/dbraw/zinc/12/65/69/638126569.db2.gz KZOHLINGCBTABJ-LDYMZIIASA-N 1 2 222.292 0.426 20 0 BCADLO CCCC[NH+]1CC(NS(C)(=O)=O)C1 ZINC000906534386 638201827 /nfs/dbraw/zinc/20/18/27/638201827.db2.gz PJPNTHAYZBRJDR-UHFFFAOYSA-N 1 2 206.311 0.020 20 0 BCADLO COC(=O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000906661303 638234277 /nfs/dbraw/zinc/23/42/77/638234277.db2.gz NWMAEWVFPICMBQ-UHFFFAOYSA-N 1 2 208.217 0.314 20 0 BCADLO Cc1cc(C)c(C(=O)NCCC(N)=O)c(C)[nH+]1 ZINC000906790967 638247652 /nfs/dbraw/zinc/24/76/52/638247652.db2.gz RKFVDVDUZLDSNQ-UHFFFAOYSA-N 1 2 235.287 0.612 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000906795753 638248793 /nfs/dbraw/zinc/24/87/93/638248793.db2.gz REMNXDXQTCGOQT-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000906799950 638250674 /nfs/dbraw/zinc/25/06/74/638250674.db2.gz JZJYXGBQEPJBLT-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO Cc1cc(C)c(C(=O)NC(CO)CO)c(C)[nH+]1 ZINC000907181933 638319348 /nfs/dbraw/zinc/31/93/48/638319348.db2.gz LZRUIOUMDBWFSW-UHFFFAOYSA-N 1 2 238.287 0.090 20 0 BCADLO Cc1cc(C)c(C(=O)N2CC(=O)N(C)C2)c(C)[nH+]1 ZINC000907221397 638324661 /nfs/dbraw/zinc/32/46/61/638324661.db2.gz CRKVFQQYBIOJRU-UHFFFAOYSA-N 1 2 247.298 0.879 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nc1nnc2n1CCCC2 ZINC000907260773 638333699 /nfs/dbraw/zinc/33/36/99/638333699.db2.gz AXSIZWWAQUCTPJ-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907312939 638337445 /nfs/dbraw/zinc/33/74/45/638337445.db2.gz MWKHLFHPEHVZRV-JGVFFNPUSA-N 1 2 211.265 0.228 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000907308140 638338675 /nfs/dbraw/zinc/33/86/75/638338675.db2.gz OZIKZSMATAUQLS-UMBAGQNISA-N 1 2 223.276 0.016 20 0 BCADLO C/C(=C/C(=O)N1CCCO1)C[NH+]1CCOCC1 ZINC000907297369 638345757 /nfs/dbraw/zinc/34/57/57/638345757.db2.gz ZNRIPRUOVRDFBX-LUAWRHEFSA-N 1 2 240.303 0.429 20 0 BCADLO C[C@H]1OCC[C@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907327194 638356970 /nfs/dbraw/zinc/35/69/70/638356970.db2.gz PWOJBAGZBIGZHL-KCJUWKMLSA-N 1 2 223.276 0.636 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907453914 638387364 /nfs/dbraw/zinc/38/73/64/638387364.db2.gz CRMATUGJYDAQRL-XADBCAIWSA-N 1 2 223.276 0.396 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907452228 638387788 /nfs/dbraw/zinc/38/77/88/638387788.db2.gz PGHBKZJJQWXHBG-QUCGXOGASA-N 1 2 249.314 0.937 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907453912 638387947 /nfs/dbraw/zinc/38/79/47/638387947.db2.gz CRMATUGJYDAQRL-HPOULIHZSA-N 1 2 223.276 0.396 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907452223 638388467 /nfs/dbraw/zinc/38/84/67/638388467.db2.gz PGHBKZJJQWXHBG-KXMPLOMGSA-N 1 2 249.314 0.937 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H]1CCO ZINC000907538191 638398193 /nfs/dbraw/zinc/39/81/93/638398193.db2.gz CHUJNDCZLVCNSQ-NSHDSACASA-N 1 2 249.314 0.867 20 0 BCADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@@H]1CO ZINC000907632241 638426634 /nfs/dbraw/zinc/42/66/34/638426634.db2.gz NKAAJJWWAQMDMH-WDEREUQCSA-N 1 2 249.314 0.723 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)[C@@H](C)O1 ZINC000907613732 638433478 /nfs/dbraw/zinc/43/34/78/638433478.db2.gz ZWRRKBDXGZXSSA-OPRDCNLKSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@H]1COC(C)(C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907727712 638460018 /nfs/dbraw/zinc/46/00/18/638460018.db2.gz UVEMOILKMKAWGR-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO C/C(=C/C(=O)NCCF)C[NH+]1CCOCC1 ZINC000907950207 638520133 /nfs/dbraw/zinc/52/01/33/638520133.db2.gz PTANPYSNNITHFQ-NTMALXAHSA-N 1 2 230.283 0.351 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCC1(O)CCC1 ZINC000908085362 638562227 /nfs/dbraw/zinc/56/22/27/638562227.db2.gz LVXVFXUEOUGTRQ-UHFFFAOYSA-N 1 2 249.314 0.915 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCCOC1 ZINC000908113661 638569178 /nfs/dbraw/zinc/56/91/78/638569178.db2.gz AYEPIDPILXUILJ-UHFFFAOYSA-N 1 2 221.260 0.700 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCF ZINC000908146963 638572176 /nfs/dbraw/zinc/57/21/76/638572176.db2.gz WJSCBPFYRJWBSR-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO O=C(CCF)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134579 638578369 /nfs/dbraw/zinc/57/83/69/638578369.db2.gz UDWZVARJNXDOIK-QMMMGPOBSA-N 1 2 211.240 0.674 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908135158 638579860 /nfs/dbraw/zinc/57/98/60/638579860.db2.gz YQKCANFXGKMQFP-IKSRRIRTSA-N 1 2 235.287 0.251 20 0 BCADLO CNc1cc(N2CC[C@@H](CO)C2)nc[nH+]1 ZINC000166169117 638592628 /nfs/dbraw/zinc/59/26/28/638592628.db2.gz PCCUHZQAESGBFK-MRVPVSSYSA-N 1 2 208.265 0.337 20 0 BCADLO CNc1cc(N2CC[C@@H](CO)C2)[nH+]cn1 ZINC000166169117 638592631 /nfs/dbraw/zinc/59/26/31/638592631.db2.gz PCCUHZQAESGBFK-MRVPVSSYSA-N 1 2 208.265 0.337 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000908256549 638618634 /nfs/dbraw/zinc/61/86/34/638618634.db2.gz CISVXWIGQVRMEQ-INTQDDNPSA-N 1 2 233.271 0.261 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000908262249 638627006 /nfs/dbraw/zinc/62/70/06/638627006.db2.gz WSPLJADJTLVWGP-FBIMIBRVSA-N 1 2 237.303 0.707 20 0 BCADLO CO[C@@](C)(CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000908319832 638642523 /nfs/dbraw/zinc/64/25/23/638642523.db2.gz OARXDRRFAPJXBQ-LBPRGKRZSA-N 1 2 237.303 0.884 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000908385512 638682322 /nfs/dbraw/zinc/68/23/22/638682322.db2.gz FACUDJIZOTXGHS-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO CCN(C(=O)CNc1cccc[nH+]1)[C@@H](C)CO ZINC000908438064 638716229 /nfs/dbraw/zinc/71/62/29/638716229.db2.gz AKNCMOMPJSTQPK-JTQLQIEISA-N 1 2 237.303 0.723 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000908467648 638732768 /nfs/dbraw/zinc/73/27/68/638732768.db2.gz NSKWHSCWZNXPDM-MRVPVSSYSA-N 1 2 233.271 0.293 20 0 BCADLO O=C(NC1CC(=O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000908473113 638739352 /nfs/dbraw/zinc/73/93/52/638739352.db2.gz QJUQDAGHRBWWAH-QMMMGPOBSA-N 1 2 233.271 0.293 20 0 BCADLO C[C@@H](CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908515688 638754039 /nfs/dbraw/zinc/75/40/39/638754039.db2.gz AFKLPOTUNVLDST-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]1C(F)F ZINC000908507075 639002431 /nfs/dbraw/zinc/00/24/31/639002431.db2.gz UXLRCDTWOQSITI-ZETCQYMHSA-N 1 2 215.203 0.818 20 0 BCADLO C[C@@H](CC(C)(C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908579395 639016535 /nfs/dbraw/zinc/01/65/35/639016535.db2.gz OKJCWSIUQHEYFT-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO C/C(=C\C(=O)NOC(C)C)C[NH+]1CCOCC1 ZINC000908570137 639020581 /nfs/dbraw/zinc/02/05/81/639020581.db2.gz MHQTWNSXFNEPPH-DHZHZOJOSA-N 1 2 242.319 0.721 20 0 BCADLO CC1=NO[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000908706826 639057560 /nfs/dbraw/zinc/05/75/60/639057560.db2.gz OTUWJHDZRJXHIW-JTQLQIEISA-N 1 2 248.286 0.775 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757492 639061838 /nfs/dbraw/zinc/06/18/38/639061838.db2.gz BCGXXDCCQKZWQF-LLHIFLOGSA-N 1 2 249.314 0.595 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761670 639063292 /nfs/dbraw/zinc/06/32/92/639063292.db2.gz VQGKWDPRLCNRQB-NGZCFLSTSA-N 1 2 235.287 0.349 20 0 BCADLO O=C(CCCn1cc[nH+]c1)Nn1ccnn1 ZINC000908835215 639074201 /nfs/dbraw/zinc/07/42/01/639074201.db2.gz LKQMQSZEGHQJRJ-UHFFFAOYSA-N 1 2 220.236 0.025 20 0 BCADLO C[N@H+](C[C@H]1CCOC1)Cn1ccsc1=O ZINC000746613217 639230733 /nfs/dbraw/zinc/23/07/33/639230733.db2.gz DCGXYBSVLRIFMH-SECBINFHSA-N 1 2 228.317 0.836 20 0 BCADLO C[N@@H+](C[C@H]1CCOC1)Cn1ccsc1=O ZINC000746613217 639230742 /nfs/dbraw/zinc/23/07/42/639230742.db2.gz DCGXYBSVLRIFMH-SECBINFHSA-N 1 2 228.317 0.836 20 0 BCADLO CC[C@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000909928543 639278825 /nfs/dbraw/zinc/27/88/25/639278825.db2.gz VZXPDUMPUBFBCU-NSHDSACASA-N 1 2 224.260 0.868 20 0 BCADLO COCC1(N(C)C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000874940503 639293184 /nfs/dbraw/zinc/29/31/84/639293184.db2.gz DCAHFNICGQAJEY-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC(C)(C(=O)N1CC=CC1)[NH+]1CCOCC1 ZINC000910015798 639332263 /nfs/dbraw/zinc/33/22/63/639332263.db2.gz NMMLTWJKJFSQDS-UHFFFAOYSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CS1 ZINC000910424422 639444079 /nfs/dbraw/zinc/44/40/79/639444079.db2.gz LAQUNQWGMSGUMX-IONNQARKSA-N 1 2 225.317 0.962 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](O)C(C)C ZINC000910453954 639456899 /nfs/dbraw/zinc/45/68/99/639456899.db2.gz QNXKKYMFTDKXDG-CMPLNLGQSA-N 1 2 239.319 0.864 20 0 BCADLO COCn1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000910631563 639493058 /nfs/dbraw/zinc/49/30/58/639493058.db2.gz ZSJPXKWQXNIXNY-UHFFFAOYSA-N 1 2 249.274 0.781 20 0 BCADLO COCn1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000910631563 639493064 /nfs/dbraw/zinc/49/30/64/639493064.db2.gz ZSJPXKWQXNIXNY-UHFFFAOYSA-N 1 2 249.274 0.781 20 0 BCADLO COCn1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000910635694 639494257 /nfs/dbraw/zinc/49/42/57/639494257.db2.gz VGOMERPTNAIBHQ-UHFFFAOYSA-N 1 2 249.274 0.712 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(CO)ccn1 ZINC000911240810 639601488 /nfs/dbraw/zinc/60/14/88/639601488.db2.gz WLANFLASCGQJKR-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC[C@H]1O ZINC000911300534 639614712 /nfs/dbraw/zinc/61/47/12/639614712.db2.gz NWKOWVRTFWRJIK-RKDXNWHRSA-N 1 2 221.260 0.133 20 0 BCADLO CC(C)O[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911483277 639654180 /nfs/dbraw/zinc/65/41/80/639654180.db2.gz LFBZZXQMZOMABM-LLVKDONJSA-N 1 2 237.303 0.978 20 0 BCADLO COCC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000911498744 639657314 /nfs/dbraw/zinc/65/73/14/639657314.db2.gz VWEZYYAUBLBFCP-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000911526578 639662978 /nfs/dbraw/zinc/66/29/78/639662978.db2.gz YFOAQMPQQIEEEL-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@H]1CC[N@H+](C[C@H]2CCCN2C)CC[S@@]1=O ZINC000930260874 639665730 /nfs/dbraw/zinc/66/57/30/639665730.db2.gz XJFHRXROLWKRCR-OZVIIMIRSA-N 1 2 244.404 0.924 20 0 BCADLO C[C@H]1CC[N@@H+](C[C@H]2CCCN2C)CC[S@@]1=O ZINC000930260874 639665732 /nfs/dbraw/zinc/66/57/32/639665732.db2.gz XJFHRXROLWKRCR-OZVIIMIRSA-N 1 2 244.404 0.924 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1n[nH]cc1F ZINC000911573113 639670516 /nfs/dbraw/zinc/67/05/16/639670516.db2.gz YANLGJWYERIMET-ZETCQYMHSA-N 1 2 249.249 0.490 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000911600560 639673984 /nfs/dbraw/zinc/67/39/84/639673984.db2.gz ZZTZKMLHMQJGOM-IONNQARKSA-N 1 2 209.249 0.246 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@H]1CCOC1 ZINC000930302800 639690162 /nfs/dbraw/zinc/69/01/62/639690162.db2.gz APFNKWAYKBXBLT-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@H]1CCOC1 ZINC000930302800 639690169 /nfs/dbraw/zinc/69/01/69/639690169.db2.gz APFNKWAYKBXBLT-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000930351746 639723950 /nfs/dbraw/zinc/72/39/50/639723950.db2.gz BZVOSFNLABNIRI-FPZBOGFLSA-N 1 2 241.287 0.205 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000930351746 639723981 /nfs/dbraw/zinc/72/39/81/639723981.db2.gz BZVOSFNLABNIRI-FPZBOGFLSA-N 1 2 241.287 0.205 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000930360291 639728475 /nfs/dbraw/zinc/72/84/75/639728475.db2.gz JVZFRNMNOJZATC-HOSYDEDBSA-N 1 2 247.310 0.980 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000930360291 639728481 /nfs/dbraw/zinc/72/84/81/639728481.db2.gz JVZFRNMNOJZATC-HOSYDEDBSA-N 1 2 247.310 0.980 20 0 BCADLO CN(C[Si](C)(C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000911729043 639756598 /nfs/dbraw/zinc/75/65/98/639756598.db2.gz XMTKXSHPQSOKHE-SNVBAGLBSA-N 1 2 244.411 0.653 20 0 BCADLO CN(C[Si](C)(C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000911729043 639756604 /nfs/dbraw/zinc/75/66/04/639756604.db2.gz XMTKXSHPQSOKHE-SNVBAGLBSA-N 1 2 244.411 0.653 20 0 BCADLO Nc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC000911752971 639780947 /nfs/dbraw/zinc/78/09/47/639780947.db2.gz VMJMHPSNHRPJBO-ZCFIWIBFSA-N 1 2 230.218 0.585 20 0 BCADLO C[C@]1(F)CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000930596196 639815793 /nfs/dbraw/zinc/81/57/93/639815793.db2.gz SKQOWQLGCZUUHK-QMMMGPOBSA-N 1 2 224.301 0.099 20 0 BCADLO C[C@]1(F)CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000930596196 639815794 /nfs/dbraw/zinc/81/57/94/639815794.db2.gz SKQOWQLGCZUUHK-QMMMGPOBSA-N 1 2 224.301 0.099 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC000930614275 639823628 /nfs/dbraw/zinc/82/36/28/639823628.db2.gz GWQAFKZDLJBURG-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC000930614275 639823632 /nfs/dbraw/zinc/82/36/32/639823632.db2.gz GWQAFKZDLJBURG-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000930642352 639839478 /nfs/dbraw/zinc/83/94/78/639839478.db2.gz YCVGVVDORQSNMZ-KXUCPTDWSA-N 1 2 240.303 0.006 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000930642352 639839480 /nfs/dbraw/zinc/83/94/80/639839480.db2.gz YCVGVVDORQSNMZ-KXUCPTDWSA-N 1 2 240.303 0.006 20 0 BCADLO Cc1cccc([C@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000930641910 639839546 /nfs/dbraw/zinc/83/95/46/639839546.db2.gz IKDYALMEUBMUAJ-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000930641910 639839548 /nfs/dbraw/zinc/83/95/48/639839548.db2.gz IKDYALMEUBMUAJ-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C1(O)CCC1)c1csnn1 ZINC000930727467 639882928 /nfs/dbraw/zinc/88/29/28/639882928.db2.gz SXUHJDOUXFJWHJ-VXNVDRBHSA-N 1 2 243.332 0.465 20 0 BCADLO NS(=O)(=O)C1C[NH+]([C@H]2C=CCCCCC2)C1 ZINC000930734923 639886670 /nfs/dbraw/zinc/88/66/70/639886670.db2.gz SNFCGHJZPZFZGB-JTQLQIEISA-N 1 2 244.360 0.848 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000930739493 639887850 /nfs/dbraw/zinc/88/78/50/639887850.db2.gz RQGJTLGIEMFXES-MWLCHTKSSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000930739493 639887851 /nfs/dbraw/zinc/88/78/51/639887851.db2.gz RQGJTLGIEMFXES-MWLCHTKSSA-N 1 2 242.344 0.767 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930740522 639888636 /nfs/dbraw/zinc/88/86/36/639888636.db2.gz ZOFHMEFALLISOQ-NWDGAFQWSA-N 1 2 247.335 0.121 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000930740522 639888637 /nfs/dbraw/zinc/88/86/37/639888637.db2.gz ZOFHMEFALLISOQ-NWDGAFQWSA-N 1 2 247.335 0.121 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nn(C)cc1C ZINC000930819416 639907838 /nfs/dbraw/zinc/90/78/38/639907838.db2.gz FBOBYZPEZJXPHK-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nn(C)cc1C ZINC000930819416 639907842 /nfs/dbraw/zinc/90/78/42/639907842.db2.gz FBOBYZPEZJXPHK-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCc1ncc(C[N@H+](C)CCNC(C)=O)o1 ZINC000930819961 639916185 /nfs/dbraw/zinc/91/61/85/639916185.db2.gz MFNWJAKFFXCDPR-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCc1ncc(C[N@@H+](C)CCNC(C)=O)o1 ZINC000930819961 639916190 /nfs/dbraw/zinc/91/61/90/639916190.db2.gz MFNWJAKFFXCDPR-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncccn1 ZINC000930816650 639918281 /nfs/dbraw/zinc/91/82/81/639918281.db2.gz ARLIACSRUKAWNY-IVZWLZJFSA-N 1 2 223.276 0.541 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000930839207 639937767 /nfs/dbraw/zinc/93/77/67/639937767.db2.gz KRXNAASVRJCISZ-GUBZILKMSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000930839207 639937781 /nfs/dbraw/zinc/93/77/81/639937781.db2.gz KRXNAASVRJCISZ-GUBZILKMSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H](O)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000912072648 639948428 /nfs/dbraw/zinc/94/84/28/639948428.db2.gz PUHWDXISJVODKN-MRVPVSSYSA-N 1 2 223.276 0.324 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)Cc1c[nH+]cn1C ZINC000926058810 711480450 /nfs/dbraw/zinc/48/04/50/711480450.db2.gz NAWSRQDDHOPDRF-INIZCTEOSA-N 1 2 243.332 0.995 20 0 BCADLO CC1(C)C[C@@](C)([NH2+]CCCO)C(=O)O1 ZINC000930873072 639966181 /nfs/dbraw/zinc/96/61/81/639966181.db2.gz BXBJFJHGAMYHTR-SNVBAGLBSA-N 1 2 201.266 0.443 20 0 BCADLO Cc1cn(C)nc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000930995982 640013540 /nfs/dbraw/zinc/01/35/40/640013540.db2.gz JLLJZNNWNZBKKL-LLVKDONJSA-N 1 2 239.319 0.576 20 0 BCADLO Cc1cn(C)nc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000930995982 640013543 /nfs/dbraw/zinc/01/35/43/640013543.db2.gz JLLJZNNWNZBKKL-LLVKDONJSA-N 1 2 239.319 0.576 20 0 BCADLO C[C@]1(NC(=O)c2nc[nH]n2)C[NH+]2CCC1CC2 ZINC000912375646 640046152 /nfs/dbraw/zinc/04/61/52/640046152.db2.gz IVJWMLAJEFAWMG-NSHDSACASA-N 1 2 235.291 0.019 20 0 BCADLO COC[C@@H](C[N@H+](C)C1CS(=O)(=O)C1)C(C)C ZINC000931232516 640105193 /nfs/dbraw/zinc/10/51/93/640105193.db2.gz AJPRRLAYBBCEKF-SNVBAGLBSA-N 1 2 249.376 0.634 20 0 BCADLO COC[C@@H](C[N@@H+](C)C1CS(=O)(=O)C1)C(C)C ZINC000931232516 640105200 /nfs/dbraw/zinc/10/52/00/640105200.db2.gz AJPRRLAYBBCEKF-SNVBAGLBSA-N 1 2 249.376 0.634 20 0 BCADLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCF ZINC000931229036 640105950 /nfs/dbraw/zinc/10/59/50/640105950.db2.gz IXMQOXNMYIOZIK-QMMMGPOBSA-N 1 2 224.301 0.099 20 0 BCADLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCF ZINC000931229036 640105957 /nfs/dbraw/zinc/10/59/57/640105957.db2.gz IXMQOXNMYIOZIK-QMMMGPOBSA-N 1 2 224.301 0.099 20 0 BCADLO C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233764 640107666 /nfs/dbraw/zinc/10/76/66/640107666.db2.gz JEJPWXVYSFUXRX-ONGXEEELSA-N 1 2 245.344 0.142 20 0 BCADLO C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233764 640107673 /nfs/dbraw/zinc/10/76/73/640107673.db2.gz JEJPWXVYSFUXRX-ONGXEEELSA-N 1 2 245.344 0.142 20 0 BCADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)c1nn[nH]n1 ZINC000912617547 640124526 /nfs/dbraw/zinc/12/45/26/640124526.db2.gz FYRMCCXQAKUMBH-HTQZYQBOSA-N 1 2 238.295 0.035 20 0 BCADLO CCC/C=C\C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912612366 640135215 /nfs/dbraw/zinc/13/52/15/640135215.db2.gz LTNUGEYUAXDKAN-OMMCCPJFSA-N 1 2 237.303 0.926 20 0 BCADLO CC/C(C)=C/C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912612811 640135901 /nfs/dbraw/zinc/13/59/01/640135901.db2.gz RRAALWPWSJMEMR-CYNRKNSPSA-N 1 2 237.303 0.926 20 0 BCADLO CC(C)(CNC(=O)[C@H](O)C1CC1)n1cc[nH+]c1 ZINC000912616037 640139243 /nfs/dbraw/zinc/13/92/43/640139243.db2.gz VINVAESZVCQWJU-SNVBAGLBSA-N 1 2 237.303 0.505 20 0 BCADLO C/C=C/C=C/C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912616261 640140106 /nfs/dbraw/zinc/14/01/06/640140106.db2.gz ZIHZWFZOLYDDGA-POOPIXKXSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=CCCC1 ZINC000912615678 640140576 /nfs/dbraw/zinc/14/05/76/640140576.db2.gz UHLZNHCIBXWHOT-JTQLQIEISA-N 1 2 235.287 0.680 20 0 BCADLO CC(C)(CNC(=O)[C@@H](O)C1CC1)n1cc[nH+]c1 ZINC000912616036 640140603 /nfs/dbraw/zinc/14/06/03/640140603.db2.gz VINVAESZVCQWJU-JTQLQIEISA-N 1 2 237.303 0.505 20 0 BCADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)n1cccn1 ZINC000912626757 640142523 /nfs/dbraw/zinc/14/25/23/640142523.db2.gz ZAQCJBXCHICKSP-UHFFFAOYSA-N 1 2 247.302 0.631 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931408929 640183517 /nfs/dbraw/zinc/18/35/17/640183517.db2.gz HDHYJIWRIOSJTF-DGCLKSJQSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931408929 640183522 /nfs/dbraw/zinc/18/35/22/640183522.db2.gz HDHYJIWRIOSJTF-DGCLKSJQSA-N 1 2 235.331 0.751 20 0 BCADLO CC/C=C\CCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931401289 640183958 /nfs/dbraw/zinc/18/39/58/640183958.db2.gz IKHHMJSAPFCQIE-RXNFCKPNSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C\CCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931401289 640183964 /nfs/dbraw/zinc/18/39/64/640183964.db2.gz IKHHMJSAPFCQIE-RXNFCKPNSA-N 1 2 212.337 0.951 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1C[C@H](O)C1 ZINC000912729408 640184164 /nfs/dbraw/zinc/18/41/64/640184164.db2.gz GDUYCOPGKRAWHX-KYZUINATSA-N 1 2 221.260 0.133 20 0 BCADLO CCCSCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912746812 640194048 /nfs/dbraw/zinc/19/40/48/640194048.db2.gz SDMVTLNEVJBITN-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO CCCSCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912746812 640194056 /nfs/dbraw/zinc/19/40/56/640194056.db2.gz SDMVTLNEVJBITN-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456707 640212414 /nfs/dbraw/zinc/21/24/14/640212414.db2.gz WXSDOIJLLBRECA-IUCAKERBSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456707 640212421 /nfs/dbraw/zinc/21/24/21/640212421.db2.gz WXSDOIJLLBRECA-IUCAKERBSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452122 640214162 /nfs/dbraw/zinc/21/41/62/640214162.db2.gz IKXSXQXHQLBZPF-BQBZGAKWSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452122 640214170 /nfs/dbraw/zinc/21/41/70/640214170.db2.gz IKXSXQXHQLBZPF-BQBZGAKWSA-N 1 2 208.265 0.203 20 0 BCADLO COC[C@@H]1CCCN1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912987304 640265714 /nfs/dbraw/zinc/26/57/14/640265714.db2.gz UHQOFNLNBSSADW-JTQLQIEISA-N 1 2 238.291 0.094 20 0 BCADLO COC[C@H]1CCCN1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912987305 640266982 /nfs/dbraw/zinc/26/69/82/640266982.db2.gz UHQOFNLNBSSADW-SNVBAGLBSA-N 1 2 238.291 0.094 20 0 BCADLO COC/C(C)=C\C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000931566657 640274926 /nfs/dbraw/zinc/27/49/26/640274926.db2.gz VDIKRFSXSNKGAV-MTUFZTHRSA-N 1 2 243.303 0.187 20 0 BCADLO COC/C(C)=C\C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000931566657 640274932 /nfs/dbraw/zinc/27/49/32/640274932.db2.gz VDIKRFSXSNKGAV-MTUFZTHRSA-N 1 2 243.303 0.187 20 0 BCADLO O=C(CC[NH+]1CCOCC1)Nc1ccns1 ZINC000913059268 640297681 /nfs/dbraw/zinc/29/76/81/640297681.db2.gz YNYINSVIYRYDBC-UHFFFAOYSA-N 1 2 241.316 0.804 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cnns1 ZINC000931655084 640305321 /nfs/dbraw/zinc/30/53/21/640305321.db2.gz IMURVRCYPRKIJU-SSDOTTSWSA-N 1 2 226.305 0.152 20 0 BCADLO c1ncc2c(n1)CC[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000931710046 640330110 /nfs/dbraw/zinc/33/01/10/640330110.db2.gz VUTPPDOFTPEMAZ-LBPRGKRZSA-N 1 2 249.314 0.640 20 0 BCADLO c1ncc2c(n1)CC[N@H+](CCO[C@H]1CCOC1)C2 ZINC000931710046 640330118 /nfs/dbraw/zinc/33/01/18/640330118.db2.gz VUTPPDOFTPEMAZ-LBPRGKRZSA-N 1 2 249.314 0.640 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)nc1 ZINC000913547452 640388853 /nfs/dbraw/zinc/38/88/53/640388853.db2.gz OTSNIVCMSLLGMU-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)nc1 ZINC000913547452 640388856 /nfs/dbraw/zinc/38/88/56/640388856.db2.gz OTSNIVCMSLLGMU-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CO ZINC000913543081 640393540 /nfs/dbraw/zinc/39/35/40/640393540.db2.gz YZQZVFHCUYWZBL-SNVBAGLBSA-N 1 2 244.310 0.261 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CO ZINC000913543081 640393544 /nfs/dbraw/zinc/39/35/44/640393544.db2.gz YZQZVFHCUYWZBL-SNVBAGLBSA-N 1 2 244.310 0.261 20 0 BCADLO CCCSCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552074 640395119 /nfs/dbraw/zinc/39/51/19/640395119.db2.gz FGOBESFCSCWANJ-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO CCCSCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552074 640395134 /nfs/dbraw/zinc/39/51/34/640395134.db2.gz FGOBESFCSCWANJ-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO Cc1c[nH]cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552863 640399178 /nfs/dbraw/zinc/39/91/78/640399178.db2.gz YJGVLBPBLNJMSY-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO Cc1c[nH]cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552863 640399184 /nfs/dbraw/zinc/39/91/84/640399184.db2.gz YJGVLBPBLNJMSY-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH]cn1 ZINC000054764958 640406311 /nfs/dbraw/zinc/40/63/11/640406311.db2.gz UTRKCIGKAYXXNJ-JTQLQIEISA-N 1 2 224.308 0.660 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000156365923 640441188 /nfs/dbraw/zinc/44/11/88/640441188.db2.gz CUAPHDPUHAWAON-VHSXEESVSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cc(=O)c(O)co2)CCO1 ZINC000932346035 640489107 /nfs/dbraw/zinc/48/91/07/640489107.db2.gz SEZPPOKUACWDDC-VIFPVBQESA-N 1 2 239.271 0.956 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)CCO1 ZINC000932346035 640489111 /nfs/dbraw/zinc/48/91/11/640489111.db2.gz SEZPPOKUACWDDC-VIFPVBQESA-N 1 2 239.271 0.956 20 0 BCADLO CN1CC[C@H]([NH2+][C@H](c2ncccn2)C2CC2)C1=O ZINC000932361161 640497969 /nfs/dbraw/zinc/49/79/69/640497969.db2.gz STMSYBRHUJETRR-QWRGUYRKSA-N 1 2 246.314 0.748 20 0 BCADLO O=C(C[NH2+][C@@H](c1ncccn1)C1CC1)NC1CC1 ZINC000932368646 640501554 /nfs/dbraw/zinc/50/15/54/640501554.db2.gz SRJACTBTQBXMMU-GFCCVEGCSA-N 1 2 246.314 0.796 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932434591 640525151 /nfs/dbraw/zinc/52/51/51/640525151.db2.gz IDYNHLYAJXZCHD-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932434591 640525154 /nfs/dbraw/zinc/52/51/54/640525154.db2.gz IDYNHLYAJXZCHD-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO O=C(NC1C[NH+](C[C@@H]2CCCCO2)C1)C1CC1 ZINC001030040185 640532210 /nfs/dbraw/zinc/53/22/10/640532210.db2.gz PJXBIDPRLOEBGN-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)C(F)F ZINC001030040334 640532590 /nfs/dbraw/zinc/53/25/90/640532590.db2.gz QSPILNXXBQQFHV-UHFFFAOYSA-N 1 2 204.220 0.462 20 0 BCADLO C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C3CC3)C2)O1 ZINC001030040474 640532948 /nfs/dbraw/zinc/53/29/48/640532948.db2.gz SVRSXVIJVCHCHL-JOYOIKCWSA-N 1 2 238.331 0.764 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030044248 640538238 /nfs/dbraw/zinc/53/82/38/640538238.db2.gz GRLPINGLDSLRIN-SECBINFHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030048038 640541709 /nfs/dbraw/zinc/54/17/09/640541709.db2.gz YOSFBSNAYCQWBV-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048343 640543613 /nfs/dbraw/zinc/54/36/13/640543613.db2.gz BZHOSLPXDPNIHQ-QMMMGPOBSA-N 1 2 232.299 0.570 20 0 BCADLO CCC[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000932478430 640546946 /nfs/dbraw/zinc/54/69/46/640546946.db2.gz HWWAXWUXGOKAJI-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO COCc1noc(C[NH2+][C@@H]2COC[C@H]2C)n1 ZINC000932487181 640551492 /nfs/dbraw/zinc/55/14/92/640551492.db2.gz IELXDWUKWXNBSM-HTQZYQBOSA-N 1 2 227.264 0.341 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030055979 640552436 /nfs/dbraw/zinc/55/24/36/640552436.db2.gz LCBOKSIACRZHJN-UHFFFAOYSA-N 1 2 205.261 0.516 20 0 BCADLO CCc1nc(C[NH2+][C@H]2COC[C@H]2C)no1 ZINC000932495845 640557759 /nfs/dbraw/zinc/55/77/59/640557759.db2.gz AHFQGIQYIYILBY-SFYZADRCSA-N 1 2 211.265 0.757 20 0 BCADLO Cc1ccccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030065447 640570472 /nfs/dbraw/zinc/57/04/72/640570472.db2.gz WRBSRRYSRGXWFB-UHFFFAOYSA-N 1 2 234.299 0.401 20 0 BCADLO Cn1cc(C[N@@H+]2CCn3cccc3C2)nn1 ZINC000932528273 640570804 /nfs/dbraw/zinc/57/08/04/640570804.db2.gz ATTHGCXQHQRZPS-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1cc(C[N@H+]2CCn3cccc3C2)nn1 ZINC000932528273 640570808 /nfs/dbraw/zinc/57/08/08/640570808.db2.gz ATTHGCXQHQRZPS-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cc1ccccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030068328 640573425 /nfs/dbraw/zinc/57/34/25/640573425.db2.gz LWDCHEDMYTYTGB-LLVKDONJSA-N 1 2 248.326 0.790 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc(C)cn2)C1 ZINC001030069392 640574888 /nfs/dbraw/zinc/57/48/88/640574888.db2.gz IBZIZNAWGDGQAL-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030069442 640575398 /nfs/dbraw/zinc/57/53/98/640575398.db2.gz IBWLCRKVHBNLMR-BXKDBHETSA-N 1 2 248.330 0.377 20 0 BCADLO O=C(C[C@@H]1C=CCC1)NC1C[NH+](CCO)C1 ZINC001030090530 640586429 /nfs/dbraw/zinc/58/64/29/640586429.db2.gz XAHKFSRZRLSHLY-SNVBAGLBSA-N 1 2 224.304 0.135 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000932639145 640592297 /nfs/dbraw/zinc/59/22/97/640592297.db2.gz MEQIKFOVDOTQOE-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000932639145 640592299 /nfs/dbraw/zinc/59/22/99/640592299.db2.gz MEQIKFOVDOTQOE-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(C)n2C)C1 ZINC001030102574 640593809 /nfs/dbraw/zinc/59/38/09/640593809.db2.gz GPFFLOXRKCSDFF-UHFFFAOYSA-N 1 2 221.304 0.767 20 0 BCADLO O=C(COC(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000932825400 640614506 /nfs/dbraw/zinc/61/45/06/640614506.db2.gz AFUOOGLYYHPDRT-UHFFFAOYSA-N 1 2 249.192 0.803 20 0 BCADLO NC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932823800 640614731 /nfs/dbraw/zinc/61/47/31/640614731.db2.gz SAZFRMFSUJTWPA-UHFFFAOYSA-N 1 2 240.225 0.109 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030130135 640623277 /nfs/dbraw/zinc/62/32/77/640623277.db2.gz LCFHVSXKNXBADE-WDEREUQCSA-N 1 2 244.310 0.571 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030135043 640624415 /nfs/dbraw/zinc/62/44/15/640624415.db2.gz PPEAKGVPEZXXDE-QMMMGPOBSA-N 1 2 239.275 0.124 20 0 BCADLO Cc1ocnc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030145148 640632008 /nfs/dbraw/zinc/63/20/08/640632008.db2.gz ZPVNBSJVQSAQIL-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC001030158085 640640991 /nfs/dbraw/zinc/64/09/91/640640991.db2.gz IIAWPLVEDBOPDL-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030158757 640646407 /nfs/dbraw/zinc/64/64/07/640646407.db2.gz GWYFEDGPOIPZBD-MRVPVSSYSA-N 1 2 239.275 0.124 20 0 BCADLO Cn1cncc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934493 640648448 /nfs/dbraw/zinc/64/84/48/640648448.db2.gz SURNCQKLBUKDHW-UHFFFAOYSA-N 1 2 234.303 0.402 20 0 BCADLO Cn1cncc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934493 640648451 /nfs/dbraw/zinc/64/84/51/640648451.db2.gz SURNCQKLBUKDHW-UHFFFAOYSA-N 1 2 234.303 0.402 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030178368 640662908 /nfs/dbraw/zinc/66/29/08/640662908.db2.gz YVCBHGBRGOPFPF-VIFPVBQESA-N 1 2 224.304 0.134 20 0 BCADLO Cc1cncc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)c1 ZINC001030187075 640667007 /nfs/dbraw/zinc/66/70/07/640667007.db2.gz ZDYUCZIPQIFSTD-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030194732 640671308 /nfs/dbraw/zinc/67/13/08/640671308.db2.gz OXYARUGVVDLRPF-BDAKNGLRSA-N 1 2 226.320 0.214 20 0 BCADLO CCNS(=O)(=O)CC[NH2+]Cc1nccs1 ZINC000225246158 640678815 /nfs/dbraw/zinc/67/88/15/640678815.db2.gz OJLCFWUEGFMOEX-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCCCO2)C1 ZINC001030219961 640690330 /nfs/dbraw/zinc/69/03/30/640690330.db2.gz YMEZHNBZSPYLAL-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H]1CCNC1=O)C2 ZINC000933259190 640691995 /nfs/dbraw/zinc/69/19/95/640691995.db2.gz BMLKDWUEGXTCKS-NSHDSACASA-N 1 2 234.303 0.150 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)ncn2)C1 ZINC001030229618 640697486 /nfs/dbraw/zinc/69/74/86/640697486.db2.gz LTPMWXFZZJNHAY-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cncnc2)C1 ZINC001030239966 640702917 /nfs/dbraw/zinc/70/29/17/640702917.db2.gz QRUJOEQTQPRNOQ-UHFFFAOYSA-N 1 2 220.276 0.301 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cncnc1 ZINC001030243155 640703514 /nfs/dbraw/zinc/70/35/14/640703514.db2.gz YJGRCZWDRWOBRY-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933321683 640704998 /nfs/dbraw/zinc/70/49/98/640704998.db2.gz CBFCEMRFFAQNPN-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933321683 640705001 /nfs/dbraw/zinc/70/50/01/640705001.db2.gz CBFCEMRFFAQNPN-CHWSQXEVSA-N 1 2 248.326 0.930 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001030270645 640719985 /nfs/dbraw/zinc/71/99/85/640719985.db2.gz FJLAVQUHPWKYHB-YUMQZZPRSA-N 1 2 218.247 0.708 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001030271473 640720015 /nfs/dbraw/zinc/72/00/15/640720015.db2.gz FNKRNGYGZCJRBP-XVYDVKMFSA-N 1 2 248.273 0.069 20 0 BCADLO Cc1cc[nH]c1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030267711 640721136 /nfs/dbraw/zinc/72/11/36/640721136.db2.gz IXNXDYFTMNBSRU-VIFPVBQESA-N 1 2 237.303 0.118 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030286246 640728861 /nfs/dbraw/zinc/72/88/61/640728861.db2.gz MLZCTIRMNACLIL-APPZFPTMSA-N 1 2 248.273 0.477 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ncc[nH]1 ZINC001030288258 640732554 /nfs/dbraw/zinc/73/25/54/640732554.db2.gz WFDHXZRUZPFQNA-UHFFFAOYSA-N 1 2 226.255 0.183 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](C/C=C\Cl)C[C@H]2C1 ZINC000933729470 640754022 /nfs/dbraw/zinc/75/40/22/640754022.db2.gz VHBZWMQYSXJEDH-HBLOBNAQSA-N 1 2 235.736 0.715 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]2C1 ZINC000933729470 640754023 /nfs/dbraw/zinc/75/40/23/640754023.db2.gz VHBZWMQYSXJEDH-HBLOBNAQSA-N 1 2 235.736 0.715 20 0 BCADLO O=C1CNC(=O)N1CCCCn1cc[nH+]c1 ZINC000226389773 640757932 /nfs/dbraw/zinc/75/79/32/640757932.db2.gz OUWATRWFDBAEEL-UHFFFAOYSA-N 1 2 222.248 0.215 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cc[nH]c1 ZINC001030353760 640783753 /nfs/dbraw/zinc/78/37/53/640783753.db2.gz SGOJDJDYSYNFEX-UHFFFAOYSA-N 1 2 225.267 0.788 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)ncn1 ZINC000933965951 640797760 /nfs/dbraw/zinc/79/77/60/640797760.db2.gz XXAHFJBWUXVIME-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)ncn1 ZINC000933965951 640797765 /nfs/dbraw/zinc/79/77/65/640797765.db2.gz XXAHFJBWUXVIME-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn3ncccc23)C1 ZINC001030452673 640865575 /nfs/dbraw/zinc/86/55/75/640865575.db2.gz ISRMCOCIXJQCJX-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3n2CCC3)C1 ZINC001030462540 640867891 /nfs/dbraw/zinc/86/78/91/640867891.db2.gz DMRNDUIHFVQVNI-UHFFFAOYSA-N 1 2 234.303 0.263 20 0 BCADLO CNc1cc(N[C@H](CCO)COC)nc[nH+]1 ZINC000228456217 640875700 /nfs/dbraw/zinc/87/57/00/640875700.db2.gz AMQRRAWBFLLBBX-MRVPVSSYSA-N 1 2 226.280 0.328 20 0 BCADLO CNc1cc(N[C@H](CCO)COC)[nH+]cn1 ZINC000228456217 640875706 /nfs/dbraw/zinc/87/57/06/640875706.db2.gz AMQRRAWBFLLBBX-MRVPVSSYSA-N 1 2 226.280 0.328 20 0 BCADLO CC[NH+]1CC(NC(=O)c2onc(C)c2C)C1 ZINC001030497133 640884257 /nfs/dbraw/zinc/88/42/57/640884257.db2.gz JSBQLVBKMHPLIK-UHFFFAOYSA-N 1 2 223.276 0.725 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001030545556 640908036 /nfs/dbraw/zinc/90/80/36/640908036.db2.gz WLRKOOQOBHMJNA-JTQLQIEISA-N 1 2 248.330 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001030560403 640912191 /nfs/dbraw/zinc/91/21/91/640912191.db2.gz KAEWZBOZCNSFEN-MNOVXSKESA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3ccccn23)C1 ZINC001030576800 640925963 /nfs/dbraw/zinc/92/59/63/640925963.db2.gz AZQZNBISYPJDTG-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001030596890 640943752 /nfs/dbraw/zinc/94/37/52/640943752.db2.gz OIEBSYAURGCSQF-UHFFFAOYSA-N 1 2 236.319 0.967 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H]1C(N)=O ZINC000087638671 640952207 /nfs/dbraw/zinc/95/22/07/640952207.db2.gz PPNODQRCOQZUEB-DNQSNQRASA-N 1 2 226.276 0.055 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@H]1C(N)=O ZINC000087638671 640952210 /nfs/dbraw/zinc/95/22/10/640952210.db2.gz PPNODQRCOQZUEB-DNQSNQRASA-N 1 2 226.276 0.055 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000061708240 640988425 /nfs/dbraw/zinc/98/84/25/640988425.db2.gz WSGMWJBBKDHDPM-VIFPVBQESA-N 1 2 201.266 0.396 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061708240 640988428 /nfs/dbraw/zinc/98/84/28/640988428.db2.gz WSGMWJBBKDHDPM-VIFPVBQESA-N 1 2 201.266 0.396 20 0 BCADLO CNc1cc(NC[C@@H](O)C(C)C)[nH+]cn1 ZINC000230059515 641012568 /nfs/dbraw/zinc/01/25/68/641012568.db2.gz IFJZJWLDCBFXKV-MRVPVSSYSA-N 1 2 210.281 0.947 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000230248605 641043022 /nfs/dbraw/zinc/04/30/22/641043022.db2.gz VWZHCUKCFKDJKA-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cn(C)ccc2=O)C1 ZINC001030655178 641061837 /nfs/dbraw/zinc/06/18/37/641061837.db2.gz NJYNZXBSCZDNFO-UHFFFAOYSA-N 1 2 249.314 0.209 20 0 BCADLO CNc1cc(N2CC[C@@H](COC)C2)nc[nH+]1 ZINC000087831541 641063926 /nfs/dbraw/zinc/06/39/26/641063926.db2.gz JEOKVQOZBHHNCQ-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N2CC[C@@H](COC)C2)[nH+]cn1 ZINC000087831541 641063927 /nfs/dbraw/zinc/06/39/27/641063927.db2.gz JEOKVQOZBHHNCQ-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1nncn1C ZINC000934113000 641077502 /nfs/dbraw/zinc/07/75/02/641077502.db2.gz YBAMPQGVZHTOJE-KXUCPTDWSA-N 1 2 224.308 0.985 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1nncn1C ZINC000934113000 641077511 /nfs/dbraw/zinc/07/75/11/641077511.db2.gz YBAMPQGVZHTOJE-KXUCPTDWSA-N 1 2 224.308 0.985 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934344219 641128911 /nfs/dbraw/zinc/12/89/11/641128911.db2.gz WPJDIZALXASCGA-GFCCVEGCSA-N 1 2 249.314 0.973 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934344219 641128916 /nfs/dbraw/zinc/12/89/16/641128916.db2.gz WPJDIZALXASCGA-GFCCVEGCSA-N 1 2 249.314 0.973 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934344220 641129875 /nfs/dbraw/zinc/12/98/75/641129875.db2.gz WPJDIZALXASCGA-LBPRGKRZSA-N 1 2 249.314 0.973 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934344220 641129878 /nfs/dbraw/zinc/12/98/78/641129878.db2.gz WPJDIZALXASCGA-LBPRGKRZSA-N 1 2 249.314 0.973 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934400934 641141061 /nfs/dbraw/zinc/14/10/61/641141061.db2.gz CEAHFPMHXWOQAB-JTQLQIEISA-N 1 2 243.303 0.477 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncc3ccccn32)C1 ZINC001030675915 641162592 /nfs/dbraw/zinc/16/25/92/641162592.db2.gz LIHCINDLNGJACF-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CCN1C[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)OC1=O ZINC000846806023 641173978 /nfs/dbraw/zinc/17/39/78/641173978.db2.gz CCHFBGUHFIDEGU-OUAUKWLOSA-N 1 2 240.303 0.690 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)OC1=O ZINC000846806023 641173983 /nfs/dbraw/zinc/17/39/83/641173983.db2.gz CCHFBGUHFIDEGU-OUAUKWLOSA-N 1 2 240.303 0.690 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934565106 641197683 /nfs/dbraw/zinc/19/76/83/641197683.db2.gz AKKFALFDSCBYGT-VHSXEESVSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934565106 641197688 /nfs/dbraw/zinc/19/76/88/641197688.db2.gz AKKFALFDSCBYGT-VHSXEESVSA-N 1 2 233.283 0.734 20 0 BCADLO COC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933056697 641204086 /nfs/dbraw/zinc/20/40/86/641204086.db2.gz UYJXPUFSTORARU-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO O=C1CCCN1CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934580115 641207841 /nfs/dbraw/zinc/20/78/41/641207841.db2.gz IRTXLJYFJQVYJB-ZJUUUORDSA-N 1 2 230.283 0.014 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934580115 641207845 /nfs/dbraw/zinc/20/78/45/641207845.db2.gz IRTXLJYFJQVYJB-ZJUUUORDSA-N 1 2 230.283 0.014 20 0 BCADLO CCC[C@H](CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913558011 641221878 /nfs/dbraw/zinc/22/18/78/641221878.db2.gz HSNSJUIGQOCDFY-NWDGAFQWSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@H](CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913558011 641221880 /nfs/dbraw/zinc/22/18/80/641221880.db2.gz HSNSJUIGQOCDFY-NWDGAFQWSA-N 1 2 242.363 0.948 20 0 BCADLO CCOC(=O)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934821695 641282279 /nfs/dbraw/zinc/28/22/79/641282279.db2.gz AQVYRAPMQIMQNO-UHFFFAOYSA-N 1 2 242.319 0.717 20 0 BCADLO O=C(NC1(CO)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935068685 641329047 /nfs/dbraw/zinc/32/90/47/641329047.db2.gz RUCBSKYXHYMTGK-UHFFFAOYSA-N 1 2 231.255 0.818 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2csnn2)C1 ZINC001030753356 641335483 /nfs/dbraw/zinc/33/54/83/641335483.db2.gz LJTOXOWTKVAHHZ-UHFFFAOYSA-N 1 2 226.305 0.362 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cnco2)C1 ZINC001030760632 641338063 /nfs/dbraw/zinc/33/80/63/641338063.db2.gz LBRDSWLRMBHJGF-MRVPVSSYSA-N 1 2 241.266 0.837 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn3cccnc23)C1 ZINC001030775932 641346899 /nfs/dbraw/zinc/34/68/99/641346899.db2.gz JFTXYUGOHHMDJO-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO Cc1cocc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030800895 641358607 /nfs/dbraw/zinc/35/86/07/641358607.db2.gz OFGVSVNOWCSISA-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO CC1(C)CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030806846 641360343 /nfs/dbraw/zinc/36/03/43/641360343.db2.gz IDOIWRMEEAUEOO-LLVKDONJSA-N 1 2 240.347 0.605 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001030803800 641360616 /nfs/dbraw/zinc/36/06/16/641360616.db2.gz XNYPMQRAICDWMS-GWCFXTLKSA-N 1 2 238.331 0.524 20 0 BCADLO C[C@@H]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001030808927 641361737 /nfs/dbraw/zinc/36/17/37/641361737.db2.gz CASYZPCDLUSFMP-GHMZBOCLSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)c1cc[nH]c1C1CC1 ZINC001030856617 641387504 /nfs/dbraw/zinc/38/75/04/641387504.db2.gz BNTUTGPLEFHODR-UHFFFAOYSA-N 1 2 249.314 0.298 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001030861958 641389446 /nfs/dbraw/zinc/38/94/46/641389446.db2.gz JVTLTYLOXICUJA-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001030861482 641389612 /nfs/dbraw/zinc/38/96/12/641389612.db2.gz WWDDHPUNOBJPLD-VIFPVBQESA-N 1 2 249.318 0.045 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H]1COCCO1 ZINC000929681637 641395435 /nfs/dbraw/zinc/39/54/35/641395435.db2.gz WAGVERGEVJUTRD-INLINHOESA-N 1 2 247.360 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H]1COCCO1 ZINC000929681637 641395437 /nfs/dbraw/zinc/39/54/37/641395437.db2.gz WAGVERGEVJUTRD-INLINHOESA-N 1 2 247.360 0.243 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1Cc2ccccc21 ZINC001030880952 641399306 /nfs/dbraw/zinc/39/93/06/641399306.db2.gz JEGKUDGJVMGHDH-ZDUSSCGKSA-N 1 2 246.310 0.119 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929697060 641402257 /nfs/dbraw/zinc/40/22/57/641402257.db2.gz QGTDRQSDUKCIQD-ADEWGFFLSA-N 1 2 238.287 0.910 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929697060 641402261 /nfs/dbraw/zinc/40/22/61/641402261.db2.gz QGTDRQSDUKCIQD-ADEWGFFLSA-N 1 2 238.287 0.910 20 0 BCADLO C[C@H]1C[C@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030898788 641408093 /nfs/dbraw/zinc/40/80/93/641408093.db2.gz WTRHBJMDAGBBJP-UWVGGRQHSA-N 1 2 226.320 0.215 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2n[nH]cc2F)C1 ZINC001030912862 641418915 /nfs/dbraw/zinc/41/89/15/641418915.db2.gz KCXUTWIRBWFOJF-UHFFFAOYSA-N 1 2 226.255 0.373 20 0 BCADLO CCc1nocc1C(=O)NC1C[NH+](CC)C1 ZINC001030913586 641419371 /nfs/dbraw/zinc/41/93/71/641419371.db2.gz OGHQLMATRDSEQN-UHFFFAOYSA-N 1 2 223.276 0.671 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CC3(CC3)C2)C1 ZINC001030930519 641444743 /nfs/dbraw/zinc/44/47/43/641444743.db2.gz CLTZPIMXSIXKET-UHFFFAOYSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000913760940 641468637 /nfs/dbraw/zinc/46/86/37/641468637.db2.gz UJWGLDYEHQOEMF-JQWIXIFHSA-N 1 2 248.330 0.505 20 0 BCADLO COC(=O)C[N@H+](CC[C@H]1CCOC1=O)C1CC1 ZINC000753846733 641479943 /nfs/dbraw/zinc/47/99/43/641479943.db2.gz JFBDWGFLGCKUCU-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)C[N@@H+](CC[C@H]1CCOC1=O)C1CC1 ZINC000753846733 641479945 /nfs/dbraw/zinc/47/99/45/641479945.db2.gz JFBDWGFLGCKUCU-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923224 641503521 /nfs/dbraw/zinc/50/35/21/641503521.db2.gz AUYARQZHTUSKBI-ONGXEEELSA-N 1 2 237.303 0.475 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCCC#N ZINC000030594114 641504849 /nfs/dbraw/zinc/50/48/49/641504849.db2.gz NEZLGVUSJYVDKY-MNOVXSKESA-N 1 2 239.319 0.516 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCCC#N ZINC000030594114 641504853 /nfs/dbraw/zinc/50/48/53/641504853.db2.gz NEZLGVUSJYVDKY-MNOVXSKESA-N 1 2 239.319 0.516 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)O[C@H]1CCOC1 ZINC000913926929 641522622 /nfs/dbraw/zinc/52/26/22/641522622.db2.gz QDVPXNQDTAUVDH-UWVGGRQHSA-N 1 2 239.275 0.787 20 0 BCADLO Cc1nnn(NC(=O)CCn2cc[nH+]c2)c1C ZINC000914016828 641543794 /nfs/dbraw/zinc/54/37/94/641543794.db2.gz IPKUUKBMFSIHNF-UHFFFAOYSA-N 1 2 234.263 0.252 20 0 BCADLO Cc1nnn(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C ZINC000914026525 641550688 /nfs/dbraw/zinc/55/06/88/641550688.db2.gz DUSITELOVHWBJP-RKDXNWHRSA-N 1 2 246.274 0.492 20 0 BCADLO Cc1nnn(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C ZINC000914026525 641550691 /nfs/dbraw/zinc/55/06/91/641550691.db2.gz DUSITELOVHWBJP-RKDXNWHRSA-N 1 2 246.274 0.492 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030978154 641555886 /nfs/dbraw/zinc/55/58/86/641555886.db2.gz ATGPMJLFSMWWPN-HOSYDEDBSA-N 1 2 240.347 0.868 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031007027 641583867 /nfs/dbraw/zinc/58/38/67/641583867.db2.gz AXQRCHBVWQITPY-ONGXEEELSA-N 1 2 238.331 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001031040050 641624497 /nfs/dbraw/zinc/62/44/97/641624497.db2.gz WFTMDHMCHWSXNI-UHFFFAOYSA-N 1 2 246.314 0.788 20 0 BCADLO COC(=O)C[N@H+](CCO[C@H]1CCOC1)C1CC1 ZINC000929804514 641624834 /nfs/dbraw/zinc/62/48/34/641624834.db2.gz GNHFNROUZSQEMB-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@@H+](CCO[C@H]1CCOC1)C1CC1 ZINC000929804514 641624838 /nfs/dbraw/zinc/62/48/38/641624838.db2.gz GNHFNROUZSQEMB-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031044152 641639258 /nfs/dbraw/zinc/63/92/58/641639258.db2.gz PHGNZBLGYNMXFG-MNOVXSKESA-N 1 2 240.347 0.605 20 0 BCADLO Cc1oncc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000158647629 641644305 /nfs/dbraw/zinc/64/43/05/641644305.db2.gz FAVWEMUEHMYAEO-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO Cc1oncc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000158647629 641644309 /nfs/dbraw/zinc/64/43/09/641644309.db2.gz FAVWEMUEHMYAEO-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001031080427 641685085 /nfs/dbraw/zinc/68/50/85/641685085.db2.gz GZOYRZHBZGTXHG-NWDGAFQWSA-N 1 2 238.331 0.479 20 0 BCADLO CCc1nc(C(=O)NC2C[NH+](CC)C2)c(C)o1 ZINC001031090680 641693512 /nfs/dbraw/zinc/69/35/12/641693512.db2.gz FCJYWHILZRFIAL-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO CC(C)CC[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC001031122272 641717175 /nfs/dbraw/zinc/71/71/75/641717175.db2.gz ANYCAMGHHGEQQN-UHFFFAOYSA-N 1 2 237.307 0.265 20 0 BCADLO CC(C)CC[NH+]1CC(NC(=O)c2ncn[nH]2)C1 ZINC001031122272 641717180 /nfs/dbraw/zinc/71/71/80/641717180.db2.gz ANYCAMGHHGEQQN-UHFFFAOYSA-N 1 2 237.307 0.265 20 0 BCADLO CC1CC(C[NH+]2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC001031122920 641720336 /nfs/dbraw/zinc/72/03/36/641720336.db2.gz XVSAVJORKBKLRC-UHFFFAOYSA-N 1 2 249.318 0.265 20 0 BCADLO CC1CC(C[NH+]2CC(NC(=O)c3ncn[nH]3)C2)C1 ZINC001031122920 641720345 /nfs/dbraw/zinc/72/03/45/641720345.db2.gz XVSAVJORKBKLRC-UHFFFAOYSA-N 1 2 249.318 0.265 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CCCO)C2)ccn1 ZINC001031127318 641722147 /nfs/dbraw/zinc/72/21/47/641722147.db2.gz YGHYIOGKMSLJOZ-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO COC(=O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929836804 641733299 /nfs/dbraw/zinc/73/32/99/641733299.db2.gz WTUJHFHYUHLNOZ-UHFFFAOYSA-N 1 2 247.254 0.856 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001031150281 641738084 /nfs/dbraw/zinc/73/80/84/641738084.db2.gz JPSKWOSUFSTPCT-SCZZXKLOSA-N 1 2 212.293 0.232 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001031168264 641762932 /nfs/dbraw/zinc/76/29/32/641762932.db2.gz MQWSWXYRSGDUEF-NWDGAFQWSA-N 1 2 240.347 0.725 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001031168262 641763685 /nfs/dbraw/zinc/76/36/85/641763685.db2.gz MQWSWXYRSGDUEF-NEPJUHHUSA-N 1 2 240.347 0.725 20 0 BCADLO COC(=O)c1cn(C[N@H+](C)C2CC2)nn1 ZINC000075666591 641767743 /nfs/dbraw/zinc/76/77/43/641767743.db2.gz HDCIISFFRIDMDY-UHFFFAOYSA-N 1 2 210.237 0.116 20 0 BCADLO COC(=O)c1cn(C[N@@H+](C)C2CC2)nn1 ZINC000075666591 641767747 /nfs/dbraw/zinc/76/77/47/641767747.db2.gz HDCIISFFRIDMDY-UHFFFAOYSA-N 1 2 210.237 0.116 20 0 BCADLO C#CC[NH+](CC#C)CCN1CCOC1=O ZINC000076185472 641796731 /nfs/dbraw/zinc/79/67/31/641796731.db2.gz NSDPUAMAXPULMJ-UHFFFAOYSA-N 1 2 206.245 0.007 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000153485153 641804720 /nfs/dbraw/zinc/80/47/20/641804720.db2.gz KLELEOKLLYDYMK-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001031220385 641826970 /nfs/dbraw/zinc/82/69/70/641826970.db2.gz VJUNQKSXEZRMJN-PWSUYJOCSA-N 1 2 224.304 0.233 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001031220383 641827572 /nfs/dbraw/zinc/82/75/72/641827572.db2.gz VJUNQKSXEZRMJN-CMPLNLGQSA-N 1 2 224.304 0.233 20 0 BCADLO CCC(=O)CCC[N@H+](C)CCS(C)(=O)=O ZINC000232838915 641834254 /nfs/dbraw/zinc/83/42/54/641834254.db2.gz KCLZMJQOLBCWCK-UHFFFAOYSA-N 1 2 235.349 0.722 20 0 BCADLO CCC(=O)CCC[N@@H+](C)CCS(C)(=O)=O ZINC000232838915 641834258 /nfs/dbraw/zinc/83/42/58/641834258.db2.gz KCLZMJQOLBCWCK-UHFFFAOYSA-N 1 2 235.349 0.722 20 0 BCADLO CCN(C(=O)c1ccc[nH]1)C1C[NH+](CCO)C1 ZINC000949668002 641851860 /nfs/dbraw/zinc/85/18/60/641851860.db2.gz PSXIOQZOIZGZOB-UHFFFAOYSA-N 1 2 237.303 0.153 20 0 BCADLO CCC(=O)CC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000190229130 641852018 /nfs/dbraw/zinc/85/20/18/641852018.db2.gz HITZKRZQDGSCDU-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO CCC(=O)CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000190229130 641852020 /nfs/dbraw/zinc/85/20/20/641852020.db2.gz HITZKRZQDGSCDU-VIFPVBQESA-N 1 2 235.349 0.721 20 0 BCADLO CCn1cnc(C(=O)NC2C[NH+](CC)C2)c1 ZINC001031265217 641869331 /nfs/dbraw/zinc/86/93/31/641869331.db2.gz ARJOQWSINCRFMD-UHFFFAOYSA-N 1 2 222.292 0.337 20 0 BCADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)c1ccccc1 ZINC001031270420 641869771 /nfs/dbraw/zinc/86/97/71/641869771.db2.gz OLQGBUFCMJCZTC-NSHDSACASA-N 1 2 248.326 0.583 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292389 641874082 /nfs/dbraw/zinc/87/40/82/641874082.db2.gz NNOBFLIRIXITQP-VIFPVBQESA-N 1 2 228.336 0.868 20 0 BCADLO CO[C@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000788050700 641881626 /nfs/dbraw/zinc/88/16/26/641881626.db2.gz UKMRJYFKHFYYSJ-SECBINFHSA-N 1 2 226.276 0.931 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](CF)C1 ZINC000916107118 641900359 /nfs/dbraw/zinc/90/03/59/641900359.db2.gz SVRSVXQXSGHVDH-SECBINFHSA-N 1 2 211.240 0.701 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)O[C@H]2CCOC2)c1 ZINC000916231416 641918483 /nfs/dbraw/zinc/91/84/83/641918483.db2.gz RBEXZSJIHRRBGT-JTQLQIEISA-N 1 2 239.275 0.478 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001031317378 641961729 /nfs/dbraw/zinc/96/17/29/641961729.db2.gz WWPCYJFCILJOGG-NSHDSACASA-N 1 2 245.326 0.617 20 0 BCADLO Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001031392020 642063412 /nfs/dbraw/zinc/06/34/12/642063412.db2.gz SDQOWCQROFNDQR-UHFFFAOYSA-N 1 2 248.330 0.402 20 0 BCADLO Cc1[nH+]ccn1CC(=O)NC1CN(CC2CC2)C1 ZINC001031392020 642063421 /nfs/dbraw/zinc/06/34/21/642063421.db2.gz SDQOWCQROFNDQR-UHFFFAOYSA-N 1 2 248.330 0.402 20 0 BCADLO Cc1nccn1CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001031392020 642063427 /nfs/dbraw/zinc/06/34/27/642063427.db2.gz SDQOWCQROFNDQR-UHFFFAOYSA-N 1 2 248.330 0.402 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001031470801 642183417 /nfs/dbraw/zinc/18/34/17/642183417.db2.gz FMESHGAEDSZAEM-UHFFFAOYSA-N 1 2 248.330 0.582 20 0 BCADLO COC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000918318157 642186851 /nfs/dbraw/zinc/18/68/51/642186851.db2.gz XUHPTEXWBMUQOQ-UHFFFAOYSA-N 1 2 214.265 0.206 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001031503043 642237434 /nfs/dbraw/zinc/23/74/34/642237434.db2.gz TWDBVOMSJBTEHE-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001031505475 642238015 /nfs/dbraw/zinc/23/80/15/642238015.db2.gz ROSZEAXRBYNGSL-UHFFFAOYSA-N 1 2 234.303 0.353 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031505620 642239314 /nfs/dbraw/zinc/23/93/14/642239314.db2.gz XMJJQTRGBXGQJU-UHFFFAOYSA-N 1 2 234.303 0.353 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccccn1 ZINC001031515831 642246857 /nfs/dbraw/zinc/24/68/57/642246857.db2.gz TWDXLMTZPCTXTI-UHFFFAOYSA-N 1 2 237.278 0.713 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cccnc1 ZINC001031516899 642252134 /nfs/dbraw/zinc/25/21/34/642252134.db2.gz PJQCWZMVXUZQOA-UHFFFAOYSA-N 1 2 237.278 0.713 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031526462 642275029 /nfs/dbraw/zinc/27/50/29/642275029.db2.gz AKSUSHDEXXDLHZ-WCBMZHEXSA-N 1 2 214.284 0.660 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCCO1 ZINC001031535709 642282657 /nfs/dbraw/zinc/28/26/57/642282657.db2.gz ZKASGAFORODUNL-SNVBAGLBSA-N 1 2 230.283 0.183 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cncs1 ZINC001031567877 642318043 /nfs/dbraw/zinc/31/80/43/642318043.db2.gz IAOJMMUOCRBPKQ-UHFFFAOYSA-N 1 2 243.307 0.774 20 0 BCADLO Cn1nccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031576232 642329449 /nfs/dbraw/zinc/32/94/49/642329449.db2.gz BPKQXLNOCBQPQN-UHFFFAOYSA-N 1 2 240.282 0.051 20 0 BCADLO Cc1cc(C)n(Cc2ccc(N)[nH+]c2)c(=O)n1 ZINC000050818307 642336859 /nfs/dbraw/zinc/33/68/59/642336859.db2.gz DHLINXSRMRDKKP-UHFFFAOYSA-N 1 2 230.271 0.886 20 0 BCADLO C[N@H+](CCc1ccccn1)[C@@H]1CCOC1=O ZINC000157025044 642356279 /nfs/dbraw/zinc/35/62/79/642356279.db2.gz CEHIOLDNRHBQSO-LLVKDONJSA-N 1 2 220.272 0.871 20 0 BCADLO C[N@@H+](CCc1ccccn1)[C@@H]1CCOC1=O ZINC000157025044 642356286 /nfs/dbraw/zinc/35/62/86/642356286.db2.gz CEHIOLDNRHBQSO-LLVKDONJSA-N 1 2 220.272 0.871 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCCCO1 ZINC001031617837 642391794 /nfs/dbraw/zinc/39/17/94/642391794.db2.gz RQLPECDSVWSYDS-LLVKDONJSA-N 1 2 244.310 0.573 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(C)=O)C2 ZINC000933253876 642421782 /nfs/dbraw/zinc/42/17/82/642421782.db2.gz VOMDIHDJYSZJCM-UHFFFAOYSA-N 1 2 207.277 0.850 20 0 BCADLO CCC[C@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933297806 642512024 /nfs/dbraw/zinc/51/20/24/642512024.db2.gz ASNHGHIQESMKBR-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO NC(=O)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891422811 642518766 /nfs/dbraw/zinc/51/87/66/642518766.db2.gz BACNCWZJGGXWJJ-UHFFFAOYSA-N 1 2 245.286 0.431 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1 ZINC000921412799 642611694 /nfs/dbraw/zinc/61/16/94/642611694.db2.gz VXMDCENAJVIDNB-MRVPVSSYSA-N 1 2 246.357 0.731 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1 ZINC000921412799 642611700 /nfs/dbraw/zinc/61/17/00/642611700.db2.gz VXMDCENAJVIDNB-MRVPVSSYSA-N 1 2 246.357 0.731 20 0 BCADLO CC(C)C1(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000921412699 642612355 /nfs/dbraw/zinc/61/23/55/642612355.db2.gz TUZITNRHFLZWPF-JTQLQIEISA-N 1 2 246.376 0.799 20 0 BCADLO CC(C)C1(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000921412699 642612361 /nfs/dbraw/zinc/61/23/61/642612361.db2.gz TUZITNRHFLZWPF-JTQLQIEISA-N 1 2 246.376 0.799 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccco1 ZINC000921413146 642613911 /nfs/dbraw/zinc/61/39/11/642613911.db2.gz FIQHTHALVFTFSD-MRVPVSSYSA-N 1 2 230.289 0.262 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccco1 ZINC000921413146 642613913 /nfs/dbraw/zinc/61/39/13/642613913.db2.gz FIQHTHALVFTFSD-MRVPVSSYSA-N 1 2 230.289 0.262 20 0 BCADLO CCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921433822 642623095 /nfs/dbraw/zinc/62/30/95/642623095.db2.gz VXMAFJUGTBNEIU-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC ZINC000921433360 642623266 /nfs/dbraw/zinc/62/32/66/642623266.db2.gz MRSACEFEWJLHCJ-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000097989704 642651696 /nfs/dbraw/zinc/65/16/96/642651696.db2.gz CAKZISYAAWUXHB-IUCAKERBSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000097989704 642651705 /nfs/dbraw/zinc/65/17/05/642651705.db2.gz CAKZISYAAWUXHB-IUCAKERBSA-N 1 2 227.260 0.187 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccns1 ZINC001031706938 642660639 /nfs/dbraw/zinc/66/06/39/642660639.db2.gz MCYFQKKFASJTSU-UHFFFAOYSA-N 1 2 243.307 0.774 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@@H](C)CO ZINC000305780581 642693850 /nfs/dbraw/zinc/69/38/50/642693850.db2.gz OEOAHUKHAGAMHB-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000305780581 642693851 /nfs/dbraw/zinc/69/38/51/642693851.db2.gz OEOAHUKHAGAMHB-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO O=C(NCC[NH2+][C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000353401459 642819808 /nfs/dbraw/zinc/81/98/08/642819808.db2.gz IBGNHDZGMAKJNY-NSHDSACASA-N 1 2 248.330 0.903 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CCF)C2)CO1 ZINC001031787648 642849394 /nfs/dbraw/zinc/84/93/94/642849394.db2.gz FESVAVPXXJTBBI-ONGXEEELSA-N 1 2 244.310 0.429 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cn1 ZINC001010118492 642850832 /nfs/dbraw/zinc/85/08/32/642850832.db2.gz ROWIFGPTQNIODM-SNVBAGLBSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cn1 ZINC001010118492 642850837 /nfs/dbraw/zinc/85/08/37/642850837.db2.gz ROWIFGPTQNIODM-SNVBAGLBSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cn1 ZINC001010118488 642851620 /nfs/dbraw/zinc/85/16/20/642851620.db2.gz ROWIFGPTQNIODM-JTQLQIEISA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cn1 ZINC001010118488 642851622 /nfs/dbraw/zinc/85/16/22/642851622.db2.gz ROWIFGPTQNIODM-JTQLQIEISA-N 1 2 240.282 0.194 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)on1 ZINC001010174872 642854230 /nfs/dbraw/zinc/85/42/30/642854230.db2.gz ZUHOEBBZQUGELP-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)on1 ZINC001010174872 642854235 /nfs/dbraw/zinc/85/42/35/642854235.db2.gz ZUHOEBBZQUGELP-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CCF)C2)[nH]1 ZINC001010385585 642861542 /nfs/dbraw/zinc/86/15/42/642861542.db2.gz OUTNPGSCCZKWBC-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)[nH]1 ZINC001010385585 642861546 /nfs/dbraw/zinc/86/15/46/642861546.db2.gz OUTNPGSCCZKWBC-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO CO[C@H](C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181657602 642891758 /nfs/dbraw/zinc/89/17/58/642891758.db2.gz NYVYVVYXFKOEDJ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cc(F)c[nH]1 ZINC001031856328 642896467 /nfs/dbraw/zinc/89/64/67/642896467.db2.gz XCBSFLFVTMRXJU-UHFFFAOYSA-N 1 2 243.257 0.785 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031860784 642899974 /nfs/dbraw/zinc/89/99/74/642899974.db2.gz WBQCETWCOZPQRT-KOLCDFICSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@]1(F)CCOC1 ZINC001015612964 642913967 /nfs/dbraw/zinc/91/39/67/642913967.db2.gz UNOACZNALGUEHZ-ONGXEEELSA-N 1 2 248.273 0.275 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@]1(F)CCOC1 ZINC001015612964 642913973 /nfs/dbraw/zinc/91/39/73/642913973.db2.gz UNOACZNALGUEHZ-ONGXEEELSA-N 1 2 248.273 0.275 20 0 BCADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015937580 642939971 /nfs/dbraw/zinc/93/99/71/642939971.db2.gz FDYUTLXQMQJJKF-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015937580 642939978 /nfs/dbraw/zinc/93/99/78/642939978.db2.gz FDYUTLXQMQJJKF-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc(F)nc1 ZINC000070083958 642968897 /nfs/dbraw/zinc/96/88/97/642968897.db2.gz OJNKPHFOIQISLW-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001018383155 642987018 /nfs/dbraw/zinc/98/70/18/642987018.db2.gz ZDBHEPKGSQVUQQ-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NO[C@@H]1CCCCO1 ZINC000276511245 643018449 /nfs/dbraw/zinc/01/84/49/643018449.db2.gz YCUHIDCWNXLJGJ-LLVKDONJSA-N 1 2 239.275 0.917 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NO[C@@H]1CCCCO1 ZINC000276511245 643018459 /nfs/dbraw/zinc/01/84/59/643018459.db2.gz YCUHIDCWNXLJGJ-LLVKDONJSA-N 1 2 239.275 0.917 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC1OCCO1 ZINC000182471916 643024096 /nfs/dbraw/zinc/02/40/96/643024096.db2.gz JANBVYRZGYTDDW-BDAKNGLRSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC1OCCO1 ZINC000182471916 643024105 /nfs/dbraw/zinc/02/41/05/643024105.db2.gz JANBVYRZGYTDDW-BDAKNGLRSA-N 1 2 201.266 0.469 20 0 BCADLO CC(=O)N[C@@H](C)C1C[NH+](Cc2cnc(C)cn2)C1 ZINC000969179460 643098095 /nfs/dbraw/zinc/09/80/95/643098095.db2.gz AUDNVLRGOZXEDH-JTQLQIEISA-N 1 2 248.330 0.741 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000941701074 643120964 /nfs/dbraw/zinc/12/09/64/643120964.db2.gz XXGDDRASPYPPIO-KWQFWETISA-N 1 2 238.291 0.416 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000941701074 643120971 /nfs/dbraw/zinc/12/09/71/643120971.db2.gz XXGDDRASPYPPIO-KWQFWETISA-N 1 2 238.291 0.416 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338773 643139841 /nfs/dbraw/zinc/13/98/41/643139841.db2.gz GJZMODGNWDPSTG-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338773 643139843 /nfs/dbraw/zinc/13/98/43/643139843.db2.gz GJZMODGNWDPSTG-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)C1C[NH+](CCF)C1 ZINC000969350439 643150607 /nfs/dbraw/zinc/15/06/07/643150607.db2.gz ANFVLYHUEQIPGF-MRVPVSSYSA-N 1 2 241.266 0.694 20 0 BCADLO CCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000184608007 643222228 /nfs/dbraw/zinc/22/22/28/643222228.db2.gz UNXRRWYAYYLFEY-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)c1cn(C[NH+]2CCCC2)nn1 ZINC000075666053 643253640 /nfs/dbraw/zinc/25/36/40/643253640.db2.gz DBVZYPZABGCPTO-UHFFFAOYSA-N 1 2 210.237 0.118 20 0 BCADLO Cc1cnoc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032098155 643253440 /nfs/dbraw/zinc/25/34/40/643253440.db2.gz JWXLPOOMXXAOQM-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1c(C)noc1C ZINC000072514654 643259795 /nfs/dbraw/zinc/25/97/95/643259795.db2.gz ATAMHZKVCUEOKY-JTQLQIEISA-N 1 2 225.292 0.987 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1c(C)noc1C ZINC000072514654 643259802 /nfs/dbraw/zinc/25/98/02/643259802.db2.gz ATAMHZKVCUEOKY-JTQLQIEISA-N 1 2 225.292 0.987 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000091575684 643331061 /nfs/dbraw/zinc/33/10/61/643331061.db2.gz WIPLDYZVLAPKOM-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000091575684 643331068 /nfs/dbraw/zinc/33/10/68/643331068.db2.gz WIPLDYZVLAPKOM-UWVGGRQHSA-N 1 2 230.308 0.506 20 0 BCADLO CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032237586 643384611 /nfs/dbraw/zinc/38/46/11/643384611.db2.gz NXLXXAQXVZMFHV-QWRGUYRKSA-N 1 2 248.330 0.615 20 0 BCADLO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)F ZINC001032239043 643386703 /nfs/dbraw/zinc/38/67/03/643386703.db2.gz QVWALWOEPDWQIW-YUMQZZPRSA-N 1 2 234.246 0.183 20 0 BCADLO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)F ZINC001032239043 643386708 /nfs/dbraw/zinc/38/67/08/643386708.db2.gz QVWALWOEPDWQIW-YUMQZZPRSA-N 1 2 234.246 0.183 20 0 BCADLO C[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccnn1C ZINC000235521313 643401683 /nfs/dbraw/zinc/40/16/83/643401683.db2.gz UQKWZFVMXGAGND-VHSXEESVSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@H](N[C@@H]1CC[N@@H+](C)C1)c1ccnn1C ZINC000235521313 643401686 /nfs/dbraw/zinc/40/16/86/643401686.db2.gz UQKWZFVMXGAGND-VHSXEESVSA-N 1 2 208.309 0.775 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC000926054147 643449171 /nfs/dbraw/zinc/44/91/71/643449171.db2.gz KGUFEZNMGTWTIO-HNNXBMFYSA-N 1 2 229.305 0.985 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(=O)n1C ZINC000844699705 643472654 /nfs/dbraw/zinc/47/26/54/643472654.db2.gz VLYYQBADBIKZLZ-ZJUUUORDSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(=O)n1C ZINC000844699705 643472657 /nfs/dbraw/zinc/47/26/57/643472657.db2.gz VLYYQBADBIKZLZ-ZJUUUORDSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(=O)n1C ZINC000844699678 643472708 /nfs/dbraw/zinc/47/27/08/643472708.db2.gz VLYYQBADBIKZLZ-UWVGGRQHSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(=O)n1C ZINC000844699678 643472710 /nfs/dbraw/zinc/47/27/10/643472710.db2.gz VLYYQBADBIKZLZ-UWVGGRQHSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nonc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000235809316 643497354 /nfs/dbraw/zinc/49/73/54/643497354.db2.gz VSNJNOPFAUVCDR-LURJTMIESA-N 1 2 225.170 0.391 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cncnc1 ZINC001010712382 643484675 /nfs/dbraw/zinc/48/46/75/643484675.db2.gz NXOWKQIWWMDEMJ-JTQLQIEISA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cncnc1 ZINC001010712382 643484678 /nfs/dbraw/zinc/48/46/78/643484678.db2.gz NXOWKQIWWMDEMJ-JTQLQIEISA-N 1 2 238.266 0.250 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000734485839 643499568 /nfs/dbraw/zinc/49/95/68/643499568.db2.gz ULDZHZUNSGJCPF-JTQLQIEISA-N 1 2 241.291 0.351 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000734485839 643499573 /nfs/dbraw/zinc/49/95/73/643499573.db2.gz ULDZHZUNSGJCPF-JTQLQIEISA-N 1 2 241.291 0.351 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735050188 643522269 /nfs/dbraw/zinc/52/22/69/643522269.db2.gz OXXSUPYALSYNBE-HWPZZCPQSA-N 1 2 246.376 0.356 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735050188 643522275 /nfs/dbraw/zinc/52/22/75/643522275.db2.gz OXXSUPYALSYNBE-HWPZZCPQSA-N 1 2 246.376 0.356 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CC)CO ZINC000082757924 643522792 /nfs/dbraw/zinc/52/27/92/643522792.db2.gz AFCMFQUYYGFATA-IUCAKERBSA-N 1 2 203.282 0.689 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CC)CO ZINC000082757925 643523359 /nfs/dbraw/zinc/52/33/59/643523359.db2.gz AFCMFQUYYGFATA-BDAKNGLRSA-N 1 2 203.282 0.689 20 0 BCADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000970914136 643608374 /nfs/dbraw/zinc/60/83/74/643608374.db2.gz AXPGJDIRWVUEBK-GFCCVEGCSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000970914136 643608378 /nfs/dbraw/zinc/60/83/78/643608378.db2.gz AXPGJDIRWVUEBK-GFCCVEGCSA-N 1 2 236.319 0.473 20 0 BCADLO CCNC(=O)C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000084270494 643656358 /nfs/dbraw/zinc/65/63/58/643656358.db2.gz SYTZFBARMSXPSL-UHFFFAOYSA-N 1 2 244.726 0.608 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016061426 643666436 /nfs/dbraw/zinc/66/64/36/643666436.db2.gz VLQTVIMCRBKNRB-IUCAKERBSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016061426 643666438 /nfs/dbraw/zinc/66/64/38/643666438.db2.gz VLQTVIMCRBKNRB-IUCAKERBSA-N 1 2 241.335 0.097 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936964 643689324 /nfs/dbraw/zinc/68/93/24/643689324.db2.gz FHOZGTRSNABWAM-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936964 643689328 /nfs/dbraw/zinc/68/93/28/643689328.db2.gz FHOZGTRSNABWAM-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO CCONC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085614780 643764066 /nfs/dbraw/zinc/76/40/66/643764066.db2.gz RBDYKVDXLHYTHZ-ZETCQYMHSA-N 1 2 204.295 0.149 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)CCn1cc[nH+]c1 ZINC000921991727 643840468 /nfs/dbraw/zinc/84/04/68/643840468.db2.gz WNLOCAMWZUFBNS-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO Cn1ncc(C[NH2+]Cc2c3c(nn2C)CCC3)n1 ZINC000922126617 643866308 /nfs/dbraw/zinc/86/63/08/643866308.db2.gz JKTNWBOEYMMTPD-UHFFFAOYSA-N 1 2 246.318 0.327 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000085986931 643877341 /nfs/dbraw/zinc/87/73/41/643877341.db2.gz YCZVSYLCNQHVPA-ZJUUUORDSA-N 1 2 224.260 0.888 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@](C)(O)C1CCC1 ZINC000426482210 643905835 /nfs/dbraw/zinc/90/58/35/643905835.db2.gz DNEYPGFSPABVQS-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@](C)(O)C1CCC1 ZINC000426482209 643905900 /nfs/dbraw/zinc/90/59/00/643905900.db2.gz DNEYPGFSPABVQS-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO C[C@@H](CC(=O)N1CC=C[C@@H]1CO)n1cc[nH+]c1 ZINC000922283384 643953151 /nfs/dbraw/zinc/95/31/51/643953151.db2.gz YVXRZOWRAATNQR-WDEREUQCSA-N 1 2 235.287 0.594 20 0 BCADLO COCc1cc(C[NH2+][C@@H](C)C(OC)OC)no1 ZINC000922313678 643966902 /nfs/dbraw/zinc/96/69/02/643966902.db2.gz UBQFYRAKSAUZHS-QMMMGPOBSA-N 1 2 244.291 0.918 20 0 BCADLO CC(=O)N(C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922324707 643969791 /nfs/dbraw/zinc/96/97/91/643969791.db2.gz QJTAOIXGXGOTCL-UHFFFAOYSA-N 1 2 237.259 0.185 20 0 BCADLO COC[C@@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000922488005 644002485 /nfs/dbraw/zinc/00/24/85/644002485.db2.gz BCAWMCGVEVUWQE-LLVKDONJSA-N 1 2 240.259 0.104 20 0 BCADLO COC[C@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922489243 644002638 /nfs/dbraw/zinc/00/26/38/644002638.db2.gz DQRRIGIOFRPBKG-NSHDSACASA-N 1 2 240.259 0.104 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000922515793 644006350 /nfs/dbraw/zinc/00/63/50/644006350.db2.gz JFJZLWIUTSGPSP-WPRPVWTQSA-N 1 2 238.291 0.254 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCNC(=O)C1 ZINC000922528282 644012607 /nfs/dbraw/zinc/01/26/07/644012607.db2.gz WOXXKHUFQYSNOD-MRVPVSSYSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1cc(CC(=O)OCc2ccc[nH+]c2N)[nH]n1 ZINC000922521481 644012702 /nfs/dbraw/zinc/01/27/02/644012702.db2.gz LHCLMYBOLJQGKB-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Cc1cc(CC(=O)OCc2ccc(N)[nH+]c2)[nH]n1 ZINC000922522272 644013006 /nfs/dbraw/zinc/01/30/06/644013006.db2.gz SFPWDUMOCNROQS-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCNC(=O)C1 ZINC000922528283 644013141 /nfs/dbraw/zinc/01/31/41/644013141.db2.gz WOXXKHUFQYSNOD-QMMMGPOBSA-N 1 2 249.270 0.233 20 0 BCADLO C[N@@H+]1CC[C@H]1CNCc1cc2n(n1)CCC2 ZINC000922575655 644028951 /nfs/dbraw/zinc/02/89/51/644028951.db2.gz CVOLXTCKPCVUDK-LBPRGKRZSA-N 1 2 220.320 0.623 20 0 BCADLO C[N@H+]1CC[C@H]1CNCc1cc2n(n1)CCC2 ZINC000922575655 644028958 /nfs/dbraw/zinc/02/89/58/644028958.db2.gz CVOLXTCKPCVUDK-LBPRGKRZSA-N 1 2 220.320 0.623 20 0 BCADLO COCc1cc(CNC[C@@H]2CC[N@@H+]2C)no1 ZINC000922576561 644031086 /nfs/dbraw/zinc/03/10/86/644031086.db2.gz TXTGOWNLENNLAX-JTQLQIEISA-N 1 2 225.292 0.615 20 0 BCADLO COCc1cc(CNC[C@@H]2CC[N@H+]2C)no1 ZINC000922576561 644031092 /nfs/dbraw/zinc/03/10/92/644031092.db2.gz TXTGOWNLENNLAX-JTQLQIEISA-N 1 2 225.292 0.615 20 0 BCADLO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccn[nH]1 ZINC000922588868 644037745 /nfs/dbraw/zinc/03/77/45/644037745.db2.gz DBFOHOYDFJXQPE-LLVKDONJSA-N 1 2 238.335 0.610 20 0 BCADLO COC/C=C\C(=O)OCc1ccc(N)[nH+]c1 ZINC000922668654 644063853 /nfs/dbraw/zinc/06/38/53/644063853.db2.gz ATXVBJLIZHVXQP-IHWYPQMZSA-N 1 2 222.244 0.910 20 0 BCADLO C[C@](O)(C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922728616 644080525 /nfs/dbraw/zinc/08/05/25/644080525.db2.gz LIYOPWYPHDHCSK-GFCCVEGCSA-N 1 2 236.271 0.868 20 0 BCADLO CCn1ncc(C(=O)OCc2ccc(N)[nH+]c2)n1 ZINC000922763249 644089943 /nfs/dbraw/zinc/08/99/43/644089943.db2.gz FXAZWCDDGDDVFP-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO COc1cc(NC(=O)Cc2[nH]c[nH+]c2C)n(C)n1 ZINC000922817623 644107328 /nfs/dbraw/zinc/10/73/28/644107328.db2.gz VMMYIAWFVAHGEJ-UHFFFAOYSA-N 1 2 249.274 0.641 20 0 BCADLO Nc1[nH+]cccc1COC(=O)COC1CC1 ZINC000922934411 644194528 /nfs/dbraw/zinc/19/45/28/644194528.db2.gz SQTXCLMOBKMHFY-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO Cn1cnc(C[NH2+]Cc2cncc(O)c2)c1 ZINC000922975774 644207112 /nfs/dbraw/zinc/20/71/12/644207112.db2.gz LNYZWZFPJMQNHG-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO CCN(C(=O)c1ccnnc1)C1C[NH+](CC)C1 ZINC000952348032 644374299 /nfs/dbraw/zinc/37/42/99/644374299.db2.gz GRBBHDNKGHPOIO-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO CCN(C(=O)c1nc(C)c[nH]1)C1C[NH+](CC)C1 ZINC000952433902 644392651 /nfs/dbraw/zinc/39/26/51/644392651.db2.gz CFZFOSFOGJDILW-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccncc1O ZINC000195557093 644396655 /nfs/dbraw/zinc/39/66/55/644396655.db2.gz NILMZYHWGGVPQD-VIFPVBQESA-N 1 2 221.260 0.820 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccon1 ZINC000083020126 644397135 /nfs/dbraw/zinc/39/71/35/644397135.db2.gz UJUCKBWMNVTWOI-VIFPVBQESA-N 1 2 249.274 0.759 20 0 BCADLO CNc1cc(NCCOCCOC)[nH+]cn1 ZINC000087825110 644504475 /nfs/dbraw/zinc/50/44/75/644504475.db2.gz UFKYCJHPYHWCDT-UHFFFAOYSA-N 1 2 226.280 0.593 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000923570446 644507481 /nfs/dbraw/zinc/50/74/81/644507481.db2.gz VHINNZQKGZVSJC-ZMLRMANQSA-N 1 2 248.282 0.731 20 0 BCADLO C[N@H+](CCS(N)(=O)=O)Cc1cccc(F)c1 ZINC000740873768 644558454 /nfs/dbraw/zinc/55/84/54/644558454.db2.gz BZICNAUJEKPETL-UHFFFAOYSA-N 1 2 246.307 0.546 20 0 BCADLO C[N@@H+](CCS(N)(=O)=O)Cc1cccc(F)c1 ZINC000740873768 644558458 /nfs/dbraw/zinc/55/84/58/644558458.db2.gz BZICNAUJEKPETL-UHFFFAOYSA-N 1 2 246.307 0.546 20 0 BCADLO Cc1occc1C[N@H+](C)CCS(N)(=O)=O ZINC000740875233 644560311 /nfs/dbraw/zinc/56/03/11/644560311.db2.gz MNMXKAXHDXTVRB-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO Cc1occc1C[N@@H+](C)CCS(N)(=O)=O ZINC000740875233 644560314 /nfs/dbraw/zinc/56/03/14/644560314.db2.gz MNMXKAXHDXTVRB-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO CCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)COC1 ZINC000755175819 644617669 /nfs/dbraw/zinc/61/76/69/644617669.db2.gz PZPMLIXXSFSWGD-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CCOC1 ZINC000755705684 644618742 /nfs/dbraw/zinc/61/87/42/644618742.db2.gz VPCQYYWCJVBBQW-LLVKDONJSA-N 1 2 224.260 0.890 20 0 BCADLO CCOCC[N@H+](C)CN1CC(=O)N(CC)C1=O ZINC000092885584 644671198 /nfs/dbraw/zinc/67/11/98/644671198.db2.gz PAXWJFJZZAFTMT-UHFFFAOYSA-N 1 2 243.307 0.196 20 0 BCADLO CCOCC[N@@H+](C)CN1CC(=O)N(CC)C1=O ZINC000092885584 644671202 /nfs/dbraw/zinc/67/12/02/644671202.db2.gz PAXWJFJZZAFTMT-UHFFFAOYSA-N 1 2 243.307 0.196 20 0 BCADLO COCC[N@H+](Cc1ccoc1)[C@H](C)C(N)=O ZINC000093139244 644678500 /nfs/dbraw/zinc/67/85/00/644678500.db2.gz QLZDLOQNQPJLKM-SECBINFHSA-N 1 2 226.276 0.602 20 0 BCADLO COCC[N@@H+](Cc1ccoc1)[C@H](C)C(N)=O ZINC000093139244 644678508 /nfs/dbraw/zinc/67/85/08/644678508.db2.gz QLZDLOQNQPJLKM-SECBINFHSA-N 1 2 226.276 0.602 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000249015449 644708580 /nfs/dbraw/zinc/70/85/80/644708580.db2.gz JFEMXBPTNJLBMR-GHMZBOCLSA-N 1 2 241.287 0.553 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000249015449 644708586 /nfs/dbraw/zinc/70/85/86/644708586.db2.gz JFEMXBPTNJLBMR-GHMZBOCLSA-N 1 2 241.287 0.553 20 0 BCADLO CCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779566918 644713805 /nfs/dbraw/zinc/71/38/05/644713805.db2.gz SEIIVPFBNNOSGU-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO COCCO[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000249406539 644720166 /nfs/dbraw/zinc/72/01/66/644720166.db2.gz UOYCZIGSESXGTF-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO COCCO[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000249406539 644720169 /nfs/dbraw/zinc/72/01/69/644720169.db2.gz UOYCZIGSESXGTF-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249583852 644726879 /nfs/dbraw/zinc/72/68/79/644726879.db2.gz SDVSCNMBXBWGPB-WDEREUQCSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249583852 644726885 /nfs/dbraw/zinc/72/68/85/644726885.db2.gz SDVSCNMBXBWGPB-WDEREUQCSA-N 1 2 229.320 0.888 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780400984 644730340 /nfs/dbraw/zinc/73/03/40/644730340.db2.gz OLRHXYSFCFEQQV-GMTAPVOTSA-N 1 2 236.271 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623906 644745015 /nfs/dbraw/zinc/74/50/15/644745015.db2.gz IMJILCLZFJLYBT-CMPLNLGQSA-N 1 2 227.304 0.500 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623906 644745023 /nfs/dbraw/zinc/74/50/23/644745023.db2.gz IMJILCLZFJLYBT-CMPLNLGQSA-N 1 2 227.304 0.500 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@H]2CC=CCC2)c1=O ZINC000784017665 644760102 /nfs/dbraw/zinc/76/01/02/644760102.db2.gz YJWWORVUEDIJPI-NSHDSACASA-N 1 2 236.319 0.827 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=O ZINC000784017665 644760108 /nfs/dbraw/zinc/76/01/08/644760108.db2.gz YJWWORVUEDIJPI-NSHDSACASA-N 1 2 236.319 0.827 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC000957997806 644768471 /nfs/dbraw/zinc/76/84/71/644768471.db2.gz XVNDCTIBDWUHGB-MZSCQWGGSA-N 1 2 249.318 0.240 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC000957997806 644768474 /nfs/dbraw/zinc/76/84/74/644768474.db2.gz XVNDCTIBDWUHGB-MZSCQWGGSA-N 1 2 249.318 0.240 20 0 BCADLO COCCONC(=O)Nc1cc(C)[nH+]cc1C ZINC000792349268 644798384 /nfs/dbraw/zinc/79/83/84/644798384.db2.gz ZKYOSYFFUFJCRQ-UHFFFAOYSA-N 1 2 239.275 0.820 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303798061 644848150 /nfs/dbraw/zinc/84/81/50/644848150.db2.gz PKUWMDVEJJNCEY-SNVBAGLBSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303798061 644848153 /nfs/dbraw/zinc/84/81/53/644848153.db2.gz PKUWMDVEJJNCEY-SNVBAGLBSA-N 1 2 225.292 0.971 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084093 644858277 /nfs/dbraw/zinc/85/82/77/644858277.db2.gz PYBSMSAASDOVDD-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084093 644858278 /nfs/dbraw/zinc/85/82/78/644858278.db2.gz PYBSMSAASDOVDD-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cn1cc[nH]c1=S ZINC000840084666 644858490 /nfs/dbraw/zinc/85/84/90/644858490.db2.gz VRAOLDKCKBXPDY-MRVPVSSYSA-N 1 2 213.306 0.850 20 0 BCADLO COC[C@H]1CC[N@H+]1Cn1cc[nH]c1=S ZINC000840084666 644858492 /nfs/dbraw/zinc/85/84/92/644858492.db2.gz VRAOLDKCKBXPDY-MRVPVSSYSA-N 1 2 213.306 0.850 20 0 BCADLO C[C@H]1COCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000807152656 644860462 /nfs/dbraw/zinc/86/04/62/644860462.db2.gz IASPTIUXJWLCFW-SNVBAGLBSA-N 1 2 237.303 0.458 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000097094153 644870492 /nfs/dbraw/zinc/87/04/92/644870492.db2.gz VFMAOOYPOUPVGU-SNVBAGLBSA-N 1 2 235.349 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000097094153 644870503 /nfs/dbraw/zinc/87/05/03/644870503.db2.gz VFMAOOYPOUPVGU-SNVBAGLBSA-N 1 2 235.349 0.268 20 0 BCADLO C[S@](=O)CCNc1nc(N)[nH+]c(C2CC2)n1 ZINC000304468858 644909600 /nfs/dbraw/zinc/90/96/00/644909600.db2.gz NDIJLZFVGATSRT-INIZCTEOSA-N 1 2 241.320 0.122 20 0 BCADLO C[C@@H]1CN=C(NC(=O)Cn2cc[nH+]c2)S1 ZINC000819772856 645017011 /nfs/dbraw/zinc/01/70/11/645017011.db2.gz JKNOTQOORRJYQV-SSDOTTSWSA-N 1 2 224.289 0.491 20 0 BCADLO CCCONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000828240901 645100386 /nfs/dbraw/zinc/10/03/86/645100386.db2.gz IKTAWPJPSVXKNW-SECBINFHSA-N 1 2 226.280 0.912 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000834559354 645145951 /nfs/dbraw/zinc/14/59/51/645145951.db2.gz GYAAFCTUMPOPDH-QMMMGPOBSA-N 1 2 225.292 0.475 20 0 BCADLO COCC(COC)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926529087 645257313 /nfs/dbraw/zinc/25/73/13/645257313.db2.gz CPWPOCFRHHBEFY-WCBMZHEXSA-N 1 2 240.307 0.535 20 0 BCADLO COCC(COC)[NH2+][C@@H](C)c1ncco1 ZINC000926531671 645258592 /nfs/dbraw/zinc/25/85/92/645258592.db2.gz UQWRFEREINZYGR-QMMMGPOBSA-N 1 2 214.265 0.987 20 0 BCADLO COc1cccnc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926552099 645274417 /nfs/dbraw/zinc/27/44/17/645274417.db2.gz UDXPTSVZOOIGKG-LLVKDONJSA-N 1 2 249.314 0.704 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)C(=O)NC ZINC000926553914 645275616 /nfs/dbraw/zinc/27/56/16/645275616.db2.gz ZKMACFDXQCJEQG-HRDYMLBCSA-N 1 2 237.307 0.398 20 0 BCADLO CC[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@@H]1C ZINC000843838890 645310148 /nfs/dbraw/zinc/31/01/48/645310148.db2.gz SXMXTSBYCJONKJ-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@@H]1C ZINC000843838890 645310153 /nfs/dbraw/zinc/31/01/53/645310153.db2.gz SXMXTSBYCJONKJ-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ncco1 ZINC000926615734 645317102 /nfs/dbraw/zinc/31/71/02/645317102.db2.gz NJWWEDYVHNAGFW-HTQZYQBOSA-N 1 2 237.259 0.473 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926636522 645323401 /nfs/dbraw/zinc/32/34/01/645323401.db2.gz FRHYJJLLLQBTOA-ZYUZMQFOSA-N 1 2 238.291 0.287 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000926636604 645325624 /nfs/dbraw/zinc/32/56/24/645325624.db2.gz HUPQYKZQCMYWLJ-FTLITQJKSA-N 1 2 227.264 0.442 20 0 BCADLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCNC1=O ZINC000926673575 645348209 /nfs/dbraw/zinc/34/82/09/645348209.db2.gz RKCSBZOMOMFTTF-RKDXNWHRSA-N 1 2 235.287 0.839 20 0 BCADLO CCN(CC(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867385134 645365085 /nfs/dbraw/zinc/36/50/85/645365085.db2.gz ZWRWABQQYQKOGM-QMMMGPOBSA-N 1 2 233.218 0.557 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cnn(C)n1 ZINC000926810781 645442222 /nfs/dbraw/zinc/44/22/22/645442222.db2.gz CXUBBEWGZFQJPW-BDAKNGLRSA-N 1 2 234.307 0.960 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2COC[C@H]2C)n1 ZINC000926878232 645471762 /nfs/dbraw/zinc/47/17/62/645471762.db2.gz PTGCJFNBJYRPFC-SFYZADRCSA-N 1 2 242.348 0.792 20 0 BCADLO CCn1nc(C)c([C@@H](C)NC[C@H]2CC[N@@H+]2C)n1 ZINC000926888182 645474863 /nfs/dbraw/zinc/47/48/63/645474863.db2.gz FQKYIVOQZGLIAW-MWLCHTKSSA-N 1 2 237.351 0.961 20 0 BCADLO CCn1nc(C)c([C@@H](C)NC[C@H]2CC[N@H+]2C)n1 ZINC000926888182 645474867 /nfs/dbraw/zinc/47/48/67/645474867.db2.gz FQKYIVOQZGLIAW-MWLCHTKSSA-N 1 2 237.351 0.961 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@@H+]1C)c1cc(CO)on1 ZINC000926896157 645480127 /nfs/dbraw/zinc/48/01/27/645480127.db2.gz ZHLQBTIVSYIIFC-IUCAKERBSA-N 1 2 225.292 0.522 20 0 BCADLO C[C@H](NC[C@@H]1CC[N@H+]1C)c1cc(CO)on1 ZINC000926896157 645480135 /nfs/dbraw/zinc/48/01/35/645480135.db2.gz ZHLQBTIVSYIIFC-IUCAKERBSA-N 1 2 225.292 0.522 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@H]1CC[N@@H+]1C ZINC000926894739 645481137 /nfs/dbraw/zinc/48/11/37/645481137.db2.gz PPINHVDPJGESLZ-VXNVDRBHSA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@H]1CC[N@H+]1C ZINC000926894739 645481143 /nfs/dbraw/zinc/48/11/43/645481143.db2.gz PPINHVDPJGESLZ-VXNVDRBHSA-N 1 2 210.281 0.733 20 0 BCADLO C[C@H](NC[C@H]1CC[N@@H+]1C)c1cc(CO)on1 ZINC000926896156 645481271 /nfs/dbraw/zinc/48/12/71/645481271.db2.gz ZHLQBTIVSYIIFC-DTWKUNHWSA-N 1 2 225.292 0.522 20 0 BCADLO C[C@H](NC[C@H]1CC[N@H+]1C)c1cc(CO)on1 ZINC000926896156 645481274 /nfs/dbraw/zinc/48/12/74/645481274.db2.gz ZHLQBTIVSYIIFC-DTWKUNHWSA-N 1 2 225.292 0.522 20 0 BCADLO C[C@H](NC[C@H]1CC[N@@H+]1C)c1cnn(C)n1 ZINC000926894405 645481717 /nfs/dbraw/zinc/48/17/17/645481717.db2.gz MJYIJOHFIPERGV-DTWKUNHWSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@H](NC[C@H]1CC[N@H+]1C)c1cnn(C)n1 ZINC000926894405 645481723 /nfs/dbraw/zinc/48/17/23/645481723.db2.gz MJYIJOHFIPERGV-DTWKUNHWSA-N 1 2 209.297 0.170 20 0 BCADLO Cc1nc(N2CC[C@@H](N3CCOC3=O)C2)cc[nH+]1 ZINC000853810398 645501318 /nfs/dbraw/zinc/50/13/18/645501318.db2.gz WOCLLHJWCURINO-SNVBAGLBSA-N 1 2 248.286 0.816 20 0 BCADLO CCc1nc(CNC(=O)Cc2c[nH+]cn2C)co1 ZINC000857527645 645595657 /nfs/dbraw/zinc/59/56/57/645595657.db2.gz URYHPFSEADFVQO-UHFFFAOYSA-N 1 2 248.286 0.829 20 0 BCADLO Cn1ccnc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857538066 645604196 /nfs/dbraw/zinc/60/41/96/645604196.db2.gz NXXBBVISNHCEKC-UHFFFAOYSA-N 1 2 205.221 0.324 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000928541203 645797927 /nfs/dbraw/zinc/79/79/27/645797927.db2.gz FDEHXLVEJBKQFD-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO CC(=O)CSCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928553661 645808549 /nfs/dbraw/zinc/80/85/49/645808549.db2.gz CAZQTAXNTXKDEM-SECBINFHSA-N 1 2 230.333 0.129 20 0 BCADLO CC(=O)CSCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553661 645808555 /nfs/dbraw/zinc/80/85/55/645808555.db2.gz CAZQTAXNTXKDEM-SECBINFHSA-N 1 2 230.333 0.129 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H](C)C1 ZINC000928585653 645838789 /nfs/dbraw/zinc/83/87/89/645838789.db2.gz ICPARGQJHXTBGP-VIFPVBQESA-N 1 2 237.303 0.756 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000928888170 645876951 /nfs/dbraw/zinc/87/69/51/645876951.db2.gz ZZTQJKZUTBZIQR-IONNQARKSA-N 1 2 209.249 0.103 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000928888168 645877548 /nfs/dbraw/zinc/87/75/48/645877548.db2.gz ZZTQJKZUTBZIQR-APPZFPTMSA-N 1 2 209.249 0.103 20 0 BCADLO CCOCCOCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000929069468 645933851 /nfs/dbraw/zinc/93/38/51/645933851.db2.gz JOYDZLZJUUHMOF-UHFFFAOYSA-N 1 2 239.319 0.821 20 0 BCADLO CCOCCOCC[N@H+]1CCc2nc[nH]c2C1 ZINC000929069468 645933856 /nfs/dbraw/zinc/93/38/56/645933856.db2.gz JOYDZLZJUUHMOF-UHFFFAOYSA-N 1 2 239.319 0.821 20 0 BCADLO CCOC(=O)/C=C/CN1CCc2[nH+]c[nH]c2C1 ZINC000929069932 645934202 /nfs/dbraw/zinc/93/42/02/645934202.db2.gz NSSPEIXAXGEVFD-ONEGZZNKSA-N 1 2 235.287 0.887 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095389 645977909 /nfs/dbraw/zinc/97/79/09/645977909.db2.gz HPNUICTYESFZKS-IONNQARKSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095389 645977914 /nfs/dbraw/zinc/97/79/14/645977914.db2.gz HPNUICTYESFZKS-IONNQARKSA-N 1 2 249.274 0.851 20 0 BCADLO CCC[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000929157437 645979504 /nfs/dbraw/zinc/97/95/04/645979504.db2.gz UHMVGAUBWDYPOW-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO COCC[NH+](CCOC)Cc1nn(C)cc1C ZINC000929157660 645980909 /nfs/dbraw/zinc/98/09/09/645980909.db2.gz OPRJQROCCHPBBK-UHFFFAOYSA-N 1 2 241.335 0.823 20 0 BCADLO C[C@H](c1nc(Cn2ccccc2=O)no1)[NH+](C)C ZINC000924103634 645980990 /nfs/dbraw/zinc/98/09/90/645980990.db2.gz KQRXXJSLVANNKP-SECBINFHSA-N 1 2 248.286 0.902 20 0 BCADLO COC/C(C)=C\C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000929204028 646003848 /nfs/dbraw/zinc/00/38/48/646003848.db2.gz NIZWCUVXZFCEHU-FGUAACIASA-N 1 2 247.360 0.698 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000929204028 646003852 /nfs/dbraw/zinc/00/38/52/646003852.db2.gz NIZWCUVXZFCEHU-FGUAACIASA-N 1 2 247.360 0.698 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000929253168 646037574 /nfs/dbraw/zinc/03/75/74/646037574.db2.gz DRSXPXSYOLWXSN-OLZOCXBDSA-N 1 2 237.299 0.413 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000929253168 646037578 /nfs/dbraw/zinc/03/75/78/646037578.db2.gz DRSXPXSYOLWXSN-OLZOCXBDSA-N 1 2 237.299 0.413 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C/C(C)=C/C(=O)OC ZINC000929294384 646060299 /nfs/dbraw/zinc/06/02/99/646060299.db2.gz CMJDJPCOWGGHKT-JXMROGBWSA-N 1 2 243.303 0.991 20 0 BCADLO CCC[N@H+](CC(=O)OC)C/C(C)=C/C(=O)OC ZINC000929294384 646060301 /nfs/dbraw/zinc/06/03/01/646060301.db2.gz CMJDJPCOWGGHKT-JXMROGBWSA-N 1 2 243.303 0.991 20 0 BCADLO COCC[N@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000929319331 646077092 /nfs/dbraw/zinc/07/70/92/646077092.db2.gz MTXLYVGRWJMLKK-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO COCC[N@@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000929319331 646077095 /nfs/dbraw/zinc/07/70/95/646077095.db2.gz MTXLYVGRWJMLKK-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C(C)=C/C(=O)OC ZINC000929297384 646070889 /nfs/dbraw/zinc/07/08/89/646070889.db2.gz UVSKIQRBWYXTBR-RMKNXTFCSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C(C)=C/C(=O)OC ZINC000929297384 646070893 /nfs/dbraw/zinc/07/08/93/646070893.db2.gz UVSKIQRBWYXTBR-RMKNXTFCSA-N 1 2 228.292 0.174 20 0 BCADLO CON1CC[C@@H]([N@@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000929348863 646089583 /nfs/dbraw/zinc/08/95/83/646089583.db2.gz VTZVLYPJGQQAEX-NXEZZACHSA-N 1 2 242.319 0.648 20 0 BCADLO CON1CC[C@@H]([N@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000929348863 646089586 /nfs/dbraw/zinc/08/95/86/646089586.db2.gz VTZVLYPJGQQAEX-NXEZZACHSA-N 1 2 242.319 0.648 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1C[C@H]1C(=O)OCC ZINC000929427620 646117268 /nfs/dbraw/zinc/11/72/68/646117268.db2.gz KGZMRRGGWHGPSL-VHSXEESVSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)OCC ZINC000929427620 646117272 /nfs/dbraw/zinc/11/72/72/646117272.db2.gz KGZMRRGGWHGPSL-VHSXEESVSA-N 1 2 243.303 0.681 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)C1(O)CCCC1 ZINC000929505869 646156407 /nfs/dbraw/zinc/15/64/07/646156407.db2.gz TZBMOYPNNCGLIK-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)C1(O)CCCC1 ZINC000929505869 646156411 /nfs/dbraw/zinc/15/64/11/646156411.db2.gz TZBMOYPNNCGLIK-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000929511389 646158802 /nfs/dbraw/zinc/15/88/02/646158802.db2.gz ONVCJAODNODVCR-FGUAACIASA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000929511389 646158807 /nfs/dbraw/zinc/15/88/07/646158807.db2.gz ONVCJAODNODVCR-FGUAACIASA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000929511391 646160097 /nfs/dbraw/zinc/16/00/97/646160097.db2.gz ONVCJAODNODVCR-LLMHMKPQSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000929511391 646160100 /nfs/dbraw/zinc/16/01/00/646160100.db2.gz ONVCJAODNODVCR-LLMHMKPQSA-N 1 2 243.303 0.453 20 0 BCADLO CCc1onc(C)c1C[N@@H+]1CCNC(=O)CC1 ZINC000929514677 646162182 /nfs/dbraw/zinc/16/21/82/646162182.db2.gz UDPMJTSHZYIZAK-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1onc(C)c1C[N@H+]1CCNC(=O)CC1 ZINC000929514677 646162187 /nfs/dbraw/zinc/16/21/87/646162187.db2.gz UDPMJTSHZYIZAK-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO C[N@H+](Cc1noc2c1COCC2)[C@@H]1CCOC1 ZINC000929598861 646190966 /nfs/dbraw/zinc/19/09/66/646190966.db2.gz DZKDTLNRWJNXQO-SECBINFHSA-N 1 2 238.287 0.968 20 0 BCADLO C[N@@H+](Cc1noc2c1COCC2)[C@@H]1CCOC1 ZINC000929598861 646190971 /nfs/dbraw/zinc/19/09/71/646190971.db2.gz DZKDTLNRWJNXQO-SECBINFHSA-N 1 2 238.287 0.968 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1ccns1 ZINC000929654340 646223363 /nfs/dbraw/zinc/22/33/63/646223363.db2.gz LKNLWAVPFFGREL-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1ccns1 ZINC000929654340 646223367 /nfs/dbraw/zinc/22/33/67/646223367.db2.gz LKNLWAVPFFGREL-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CCOCCOCC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000929683797 646240184 /nfs/dbraw/zinc/24/01/84/646240184.db2.gz XDOZGXSSZMDNJR-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCOCC[N@H+]1CCNC(=O)[C@@H]1CC ZINC000929683797 646240190 /nfs/dbraw/zinc/24/01/90/646240190.db2.gz XDOZGXSSZMDNJR-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H](O)C1(O)CCCC1 ZINC000929695654 646249787 /nfs/dbraw/zinc/24/97/87/646249787.db2.gz ICVUIANVEAKWOQ-LLVKDONJSA-N 1 2 240.303 0.772 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H](O)C1(O)CCCC1 ZINC000929695654 646249790 /nfs/dbraw/zinc/24/97/90/646249790.db2.gz ICVUIANVEAKWOQ-LLVKDONJSA-N 1 2 240.303 0.772 20 0 BCADLO CCc1cnc(C[N@H+](C)C[C@@H](O)[C@H](C)O)s1 ZINC000929773851 646303563 /nfs/dbraw/zinc/30/35/63/646303563.db2.gz JLFRAJUMMCPXCL-WCBMZHEXSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)[C@H](C)O)s1 ZINC000929773851 646303567 /nfs/dbraw/zinc/30/35/67/646303567.db2.gz JLFRAJUMMCPXCL-WCBMZHEXSA-N 1 2 244.360 0.879 20 0 BCADLO COC(=O)N1CC([NH2+][C@@H](C)c2cn(C)cn2)C1 ZINC000925570378 646340400 /nfs/dbraw/zinc/34/04/00/646340400.db2.gz WOJZPUPKJGXQHE-QMMMGPOBSA-N 1 2 238.291 0.521 20 0 BCADLO C[C@H]1C[C@H](NCC[NH+]2CCC2)c2ncnn21 ZINC000925603517 646354902 /nfs/dbraw/zinc/35/49/02/646354902.db2.gz CEUHMQIHAZCLDI-UWVGGRQHSA-N 1 2 221.308 0.579 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000929848295 646358970 /nfs/dbraw/zinc/35/89/70/646358970.db2.gz YWMABWNBFCQBAX-JTQLQIEISA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000929848295 646358973 /nfs/dbraw/zinc/35/89/73/646358973.db2.gz YWMABWNBFCQBAX-JTQLQIEISA-N 1 2 243.253 0.676 20 0 BCADLO Cn1cc(C2=NC[C@H](Cn3cc[nH+]c3)O2)cn1 ZINC000929865276 646362700 /nfs/dbraw/zinc/36/27/00/646362700.db2.gz AIMTWKJOMFEYMG-SNVBAGLBSA-N 1 2 231.259 0.462 20 0 BCADLO COC(=O)C[N@H+](CCc1nnc(C)o1)C(C)C ZINC000929895427 646369691 /nfs/dbraw/zinc/36/96/91/646369691.db2.gz QOHRWFJJLXJJGW-UHFFFAOYSA-N 1 2 241.291 0.804 20 0 BCADLO COC(=O)C[N@@H+](CCc1nnc(C)o1)C(C)C ZINC000929895427 646369696 /nfs/dbraw/zinc/36/96/96/646369696.db2.gz QOHRWFJJLXJJGW-UHFFFAOYSA-N 1 2 241.291 0.804 20 0 BCADLO Cc1c(C[NH2+][C@H](C)c2cnn(C)n2)cnn1C ZINC000925647775 646386088 /nfs/dbraw/zinc/38/60/88/646386088.db2.gz GXXPUCOFKJKUDO-MRVPVSSYSA-N 1 2 234.307 0.708 20 0 BCADLO Cn1c2ccccc2nc1C[N@H+](C)C[C@H](O)CO ZINC000930015100 646394548 /nfs/dbraw/zinc/39/45/48/646394548.db2.gz XADQLLOJDQPOLI-JTQLQIEISA-N 1 2 249.314 0.358 20 0 BCADLO Cn1c2ccccc2nc1C[N@@H+](C)C[C@H](O)CO ZINC000930015100 646394552 /nfs/dbraw/zinc/39/45/52/646394552.db2.gz XADQLLOJDQPOLI-JTQLQIEISA-N 1 2 249.314 0.358 20 0 BCADLO NC(=O)C1([NH2+]Cc2nncs2)CCCCC1 ZINC000930016886 646395372 /nfs/dbraw/zinc/39/53/72/646395372.db2.gz DQNGVFYWGKPVGG-UHFFFAOYSA-N 1 2 240.332 0.816 20 0 BCADLO CN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930031470 646402862 /nfs/dbraw/zinc/40/28/62/646402862.db2.gz TVCNMHHNHDUPMB-UHFFFAOYSA-N 1 2 219.244 0.627 20 0 BCADLO O=C(NCCOCCO)c1cc2c[nH+]ccc2[nH]1 ZINC000930038501 646405906 /nfs/dbraw/zinc/40/59/06/646405906.db2.gz PHJFJKRBSFFIPF-UHFFFAOYSA-N 1 2 249.270 0.302 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930069083 646419305 /nfs/dbraw/zinc/41/93/05/646419305.db2.gz MZCPZRKGMBUSKC-NSHDSACASA-N 1 2 249.314 0.716 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930069083 646419309 /nfs/dbraw/zinc/41/93/09/646419309.db2.gz MZCPZRKGMBUSKC-NSHDSACASA-N 1 2 249.314 0.716 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)c(C)nn1 ZINC000930104731 646436242 /nfs/dbraw/zinc/43/62/42/646436242.db2.gz HAAGGOSRMLAIAY-NSHDSACASA-N 1 2 234.303 0.414 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)c(C)nn1 ZINC000930104731 646436248 /nfs/dbraw/zinc/43/62/48/646436248.db2.gz HAAGGOSRMLAIAY-NSHDSACASA-N 1 2 234.303 0.414 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC2(COC2)O1 ZINC000930120683 646442729 /nfs/dbraw/zinc/44/27/29/646442729.db2.gz GLNKPNAQRAHGRQ-SNVBAGLBSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC2(COC2)O1 ZINC000930120683 646442733 /nfs/dbraw/zinc/44/27/33/646442733.db2.gz GLNKPNAQRAHGRQ-SNVBAGLBSA-N 1 2 237.303 0.790 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC2CC(C)C2)CCOC1 ZINC000930154704 646462473 /nfs/dbraw/zinc/46/24/73/646462473.db2.gz GMVSORKBQOQAJR-RTYFJBAXSA-N 1 2 227.304 0.954 20 0 BCADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)C[C@]1(O)CCOC1 ZINC000930175743 646477911 /nfs/dbraw/zinc/47/79/11/646477911.db2.gz VGLNYJUZKRWOIW-VXGBXAGGSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@@H](C[N@H+]1CCC=C(F)C1)C[C@]1(O)CCOC1 ZINC000930175743 646477913 /nfs/dbraw/zinc/47/79/13/646477913.db2.gz VGLNYJUZKRWOIW-VXGBXAGGSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@H](C[N@@H+]1CCC=C(F)C1)C[C@]1(O)CCOC1 ZINC000930175739 646478025 /nfs/dbraw/zinc/47/80/25/646478025.db2.gz VGLNYJUZKRWOIW-NWDGAFQWSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@H](C[N@H+]1CCC=C(F)C1)C[C@]1(O)CCOC1 ZINC000930175739 646478028 /nfs/dbraw/zinc/47/80/28/646478028.db2.gz VGLNYJUZKRWOIW-NWDGAFQWSA-N 1 2 245.294 0.448 20 0 BCADLO C[C@H]([NH2+][C@@H]1CNOC1)c1cc2n(n1)CCC2 ZINC000925858423 646512901 /nfs/dbraw/zinc/51/29/01/646512901.db2.gz CETDXAKIFLYPQO-DTWKUNHWSA-N 1 2 222.292 0.383 20 0 BCADLO C[C@H]1C[C@@H]([NH2+][C@@H]2CNOC2)c2nccn21 ZINC000925858395 646513163 /nfs/dbraw/zinc/51/31/63/646513163.db2.gz BLSMXMCOGKRZCP-DJLDLDEBSA-N 1 2 208.265 0.382 20 0 BCADLO C[C@H]1C[C@H]([NH2+][C@H]2CNOC2)c2nccn21 ZINC000925864796 646516458 /nfs/dbraw/zinc/51/64/58/646516458.db2.gz BLSMXMCOGKRZCP-CIUDSAMLSA-N 1 2 208.265 0.382 20 0 BCADLO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CNOC1 ZINC000925868556 646519845 /nfs/dbraw/zinc/51/98/45/646519845.db2.gz COMLESZQVUBMDE-BDAKNGLRSA-N 1 2 208.265 0.339 20 0 BCADLO COC(=O)c1coc([C@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925869838 646521612 /nfs/dbraw/zinc/52/16/12/646521612.db2.gz QNHCACVSAHAYHI-CBAPKCEASA-N 1 2 240.259 0.620 20 0 BCADLO O=C(Cn1cc[nH+]c1)N=S1(=O)CCCC1 ZINC000925907347 646539058 /nfs/dbraw/zinc/53/90/58/646539058.db2.gz YRTGZDHXOKDQDE-UHFFFAOYSA-N 1 2 227.289 0.672 20 0 BCADLO C[N@@H+]1CC[C@@H](C(=O)N=S2(=O)CCCC2)C1 ZINC000925907631 646539184 /nfs/dbraw/zinc/53/91/84/646539184.db2.gz QEYBMOIJCCOBCX-SECBINFHSA-N 1 2 230.333 0.727 20 0 BCADLO C[N@H+]1CC[C@@H](C(=O)N=S2(=O)CCCC2)C1 ZINC000925907631 646539186 /nfs/dbraw/zinc/53/91/86/646539186.db2.gz QEYBMOIJCCOBCX-SECBINFHSA-N 1 2 230.333 0.727 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N=S1(=O)CCCC1 ZINC000925939143 646545281 /nfs/dbraw/zinc/54/52/81/646545281.db2.gz CGGJVMXSIFBVKQ-UHFFFAOYSA-N 1 2 227.289 0.741 20 0 BCADLO Cc1nc(CC[NH2+][C@H](C)c2ncco2)n[nH]1 ZINC000926114424 646575317 /nfs/dbraw/zinc/57/53/17/646575317.db2.gz JWLZEJZOIXIOKA-SSDOTTSWSA-N 1 2 221.264 0.994 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926210453 646595737 /nfs/dbraw/zinc/59/57/37/646595737.db2.gz QDKVWAXDNSKKNH-DTWKUNHWSA-N 1 2 237.307 0.352 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1ncnn1C ZINC000926263236 646607644 /nfs/dbraw/zinc/60/76/44/646607644.db2.gz VDETWHDZMPWWBD-DTWKUNHWSA-N 1 2 240.307 0.617 20 0 BCADLO C[C@@H]1COC[C@H]1[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000926497945 646662774 /nfs/dbraw/zinc/66/27/74/646662774.db2.gz BYLMMKNCBOGOKR-IEBDPFPHSA-N 1 2 235.287 0.233 20 0 BCADLO [NH3+][C@@H](CC(=O)NCC(F)(F)F)C(F)F ZINC000724730782 711610003 /nfs/dbraw/zinc/61/00/03/711610003.db2.gz VYRBGIKZXBWMSE-VKHMYHEASA-N 1 2 220.141 0.647 20 0 BCADLO [NH3+][C@H](CC(=O)Nc1nncs1)C(F)F ZINC000724730186 711609782 /nfs/dbraw/zinc/60/97/82/711609782.db2.gz OYQDXQDKFWSPJR-GSVOUGTGSA-N 1 2 222.220 0.459 20 0 BCADLO COCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724729286 711609817 /nfs/dbraw/zinc/60/98/17/711609817.db2.gz GLCOGXZMDRVQQJ-LURJTMIESA-N 1 2 210.224 0.122 20 0 BCADLO [NH3+][C@@H](CC(=O)NC[C@@H]1CCCO1)C(F)F ZINC000724728037 711610078 /nfs/dbraw/zinc/61/00/78/711610078.db2.gz VYHSIWPJZPKSGT-BQBZGAKWSA-N 1 2 222.235 0.264 20 0 BCADLO [NH3+][C@H](CC(=O)NC[C@H]1CCCO1)C(F)F ZINC000724728039 711610179 /nfs/dbraw/zinc/61/01/79/711610179.db2.gz VYHSIWPJZPKSGT-RNFRBKRXSA-N 1 2 222.235 0.264 20 0 BCADLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000911530460 711819099 /nfs/dbraw/zinc/81/90/99/711819099.db2.gz BTUGFWGABLQJEK-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000706338810 711912095 /nfs/dbraw/zinc/91/20/95/711912095.db2.gz OFNHPZAYSNNMDT-MRVPVSSYSA-N 1 2 227.264 0.007 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC001032844793 711961201 /nfs/dbraw/zinc/96/12/01/711961201.db2.gz ULAGFSRJAINYSG-JTQLQIEISA-N 1 2 238.291 0.431 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC001032844793 711961203 /nfs/dbraw/zinc/96/12/03/711961203.db2.gz ULAGFSRJAINYSG-JTQLQIEISA-N 1 2 238.291 0.431 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001032844535 711961951 /nfs/dbraw/zinc/96/19/51/711961951.db2.gz BIFODOQCKNCPNS-NSHDSACASA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001032844535 711961954 /nfs/dbraw/zinc/96/19/54/711961954.db2.gz BIFODOQCKNCPNS-NSHDSACASA-N 1 2 223.276 0.727 20 0 BCADLO Cn1nc(C[N@H+](C)CCCO)cc1Cl ZINC000706165666 712141533 /nfs/dbraw/zinc/14/15/33/712141533.db2.gz HDGDMKFBPUJPIJ-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1nc(C[N@@H+](C)CCCO)cc1Cl ZINC000706165666 712141534 /nfs/dbraw/zinc/14/15/34/712141534.db2.gz HDGDMKFBPUJPIJ-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709970634 712236189 /nfs/dbraw/zinc/23/61/89/712236189.db2.gz SEBGVJHRAHSFGE-VIFPVBQESA-N 1 2 224.308 0.595 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)o2)C[C@H]1C ZINC001079323249 712346462 /nfs/dbraw/zinc/34/64/62/712346462.db2.gz NRDOYDMVOHLHIZ-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)o2)C[C@H]1C ZINC001079323249 712346465 /nfs/dbraw/zinc/34/64/65/712346465.db2.gz NRDOYDMVOHLHIZ-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO CNc1cc(N2CCC[C@@H](O)CC2)nc[nH+]1 ZINC000378795592 712361762 /nfs/dbraw/zinc/36/17/62/712361762.db2.gz QJHHNWKVAUWZDL-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@@H](O)CC2)[nH+]cn1 ZINC000378795592 712361763 /nfs/dbraw/zinc/36/17/63/712361763.db2.gz QJHHNWKVAUWZDL-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)C(N)=O ZINC000379343589 712375282 /nfs/dbraw/zinc/37/52/82/712375282.db2.gz LPJMHNWJPRPMMZ-SCSAIBSYSA-N 1 2 247.096 0.136 20 0 BCADLO CCCn1cc(C[NH2+][C@H]2CC(=O)N(C)C2)nn1 ZINC000714514715 712493541 /nfs/dbraw/zinc/49/35/41/712493541.db2.gz OAMXXYRVQGRPQN-VIFPVBQESA-N 1 2 237.307 0.008 20 0 BCADLO CC(C)CNC(=O)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715903153 712541381 /nfs/dbraw/zinc/54/13/81/712541381.db2.gz RCLSCYPAHGXSIM-SECBINFHSA-N 1 2 239.323 0.238 20 0 BCADLO Cc1cc([C@H](C)[NH2+]CCS(C)(=O)=O)no1 ZINC000389567589 712689560 /nfs/dbraw/zinc/68/95/60/712689560.db2.gz APUSSBPIKIDETN-QMMMGPOBSA-N 1 2 232.305 0.678 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000384851562 712703242 /nfs/dbraw/zinc/70/32/42/712703242.db2.gz BRFUYEOAOUFXQG-VXNVDRBHSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000384851562 712703244 /nfs/dbraw/zinc/70/32/44/712703244.db2.gz BRFUYEOAOUFXQG-VXNVDRBHSA-N 1 2 210.281 0.458 20 0 BCADLO Cn1c[nH+]cc1CN[C@]1(C)CCOC1=O ZINC000380178285 712706218 /nfs/dbraw/zinc/70/62/18/712706218.db2.gz KSTLJXLUQNZHJY-SNVBAGLBSA-N 1 2 209.249 0.215 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C ZINC000928635121 712711431 /nfs/dbraw/zinc/71/14/31/712711431.db2.gz IWRRMZWYVQUKSK-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CN1CC[N@H+](CCc2ccns2)[C@@H](CO)C1 ZINC000719878043 712825185 /nfs/dbraw/zinc/82/51/85/712825185.db2.gz HCJUHWVLUJHREC-SNVBAGLBSA-N 1 2 241.360 0.294 20 0 BCADLO CN1CC[N@@H+](CCc2ccns2)[C@@H](CO)C1 ZINC000719878043 712825188 /nfs/dbraw/zinc/82/51/88/712825188.db2.gz HCJUHWVLUJHREC-SNVBAGLBSA-N 1 2 241.360 0.294 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1ccns1 ZINC000719854395 712826150 /nfs/dbraw/zinc/82/61/50/712826150.db2.gz PJEBZRGIITXDHK-VHSXEESVSA-N 1 2 242.344 0.767 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1ccns1 ZINC000719854395 712826152 /nfs/dbraw/zinc/82/61/52/712826152.db2.gz PJEBZRGIITXDHK-VHSXEESVSA-N 1 2 242.344 0.767 20 0 BCADLO CCCNc1cc(N2CC(O)C2)nc[nH+]1 ZINC000383960273 712858511 /nfs/dbraw/zinc/85/85/11/712858511.db2.gz FNUBZOVVZDBZKN-UHFFFAOYSA-N 1 2 208.265 0.479 20 0 BCADLO CCCNc1cc(N2CC(O)C2)[nH+]cn1 ZINC000383960273 712858513 /nfs/dbraw/zinc/85/85/13/712858513.db2.gz FNUBZOVVZDBZKN-UHFFFAOYSA-N 1 2 208.265 0.479 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001038000533 712897369 /nfs/dbraw/zinc/89/73/69/712897369.db2.gz CEQFVNASSLVQEG-NSHDSACASA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001038000533 712897370 /nfs/dbraw/zinc/89/73/70/712897370.db2.gz CEQFVNASSLVQEG-NSHDSACASA-N 1 2 222.292 0.131 20 0 BCADLO Nc1ccc(CNC(=O)c2cnns2)c[nH+]1 ZINC000381287879 710615478 /nfs/dbraw/zinc/61/54/78/710615478.db2.gz ZZBBKOGNZZDTRU-UHFFFAOYSA-N 1 2 235.272 0.276 20 0 BCADLO CSc1cnc(NCc2c[nH+]cn2C)nc1 ZINC000381620237 710663064 /nfs/dbraw/zinc/66/30/64/710663064.db2.gz YRKMJRRKGBQTOV-UHFFFAOYSA-N 1 2 235.316 0.966 20 0 BCADLO CO[C@H](C[NH2+]Cc1cn(C)nn1)C(F)(F)F ZINC000381764164 710703940 /nfs/dbraw/zinc/70/39/40/710703940.db2.gz UTSNUWTVHJKFQH-SSDOTTSWSA-N 1 2 238.213 0.482 20 0 BCADLO [NH3+][C@H](CC(=O)NCC[C@H]1CCCO1)C(F)F ZINC000724770908 710746414 /nfs/dbraw/zinc/74/64/14/710746414.db2.gz IHXIXCJLFWPNHZ-HTQZYQBOSA-N 1 2 236.262 0.654 20 0 BCADLO CNc1cc(N[C@H]2CC23CC(O)C3)nc[nH+]1 ZINC000724927562 710750236 /nfs/dbraw/zinc/75/02/36/710750236.db2.gz VDCZAKZQQUMWNV-KAIZJQOQSA-N 1 2 220.276 0.844 20 0 BCADLO CNc1cc(N[C@H]2CC23CC(O)C3)[nH+]cn1 ZINC000724927562 710750238 /nfs/dbraw/zinc/75/02/38/710750238.db2.gz VDCZAKZQQUMWNV-KAIZJQOQSA-N 1 2 220.276 0.844 20 0 BCADLO CCCCOC(=O)C[N@H+](C)CCC(N)=O ZINC000381893738 710758463 /nfs/dbraw/zinc/75/84/63/710758463.db2.gz UIQJNUSVVVMJLL-UHFFFAOYSA-N 1 2 216.281 0.137 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)CCC(N)=O ZINC000381893738 710758465 /nfs/dbraw/zinc/75/84/65/710758465.db2.gz UIQJNUSVVVMJLL-UHFFFAOYSA-N 1 2 216.281 0.137 20 0 BCADLO CN(C(=O)c1cc[nH]n1)C1C[NH+](CCCF)C1 ZINC001042491803 710787819 /nfs/dbraw/zinc/78/78/19/710787819.db2.gz DFNSNIUWTZZFPT-UHFFFAOYSA-N 1 2 240.282 0.526 20 0 BCADLO CN(C(=O)c1ccn[nH]1)C1C[NH+](CCCF)C1 ZINC001042491803 710787822 /nfs/dbraw/zinc/78/78/22/710787822.db2.gz DFNSNIUWTZZFPT-UHFFFAOYSA-N 1 2 240.282 0.526 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ncoc2C)C1 ZINC001042520257 710789445 /nfs/dbraw/zinc/78/94/45/710789445.db2.gz HCKVKUBEFDDRKA-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C(=O)c1ccon1)C1C[NH+](CCCF)C1 ZINC001042508188 710790036 /nfs/dbraw/zinc/79/00/36/710790036.db2.gz YNMWQPLKHMODCX-UHFFFAOYSA-N 1 2 241.266 0.790 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnsn2)C1 ZINC001042510285 710790044 /nfs/dbraw/zinc/79/00/44/710790044.db2.gz SBNYJVGEBHYNQL-UHFFFAOYSA-N 1 2 226.305 0.314 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnc(F)c2)C1 ZINC001042527589 710791546 /nfs/dbraw/zinc/79/15/46/710791546.db2.gz DUXXQEJBIKXQDH-UHFFFAOYSA-N 1 2 237.278 0.997 20 0 BCADLO Cc1cncc(C(=O)N(C)C2C[NH+](CCO)C2)c1 ZINC001042570024 710793546 /nfs/dbraw/zinc/79/35/46/710793546.db2.gz LNAWIVSHXAEPRA-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001042763143 710798391 /nfs/dbraw/zinc/79/83/91/710798391.db2.gz DFLDTIOYPCHSHM-UHFFFAOYSA-N 1 2 237.303 0.417 20 0 BCADLO CC(C(=O)N(C)C1C[NH+](CCO)C1)=C1CCC1 ZINC001042701867 710798579 /nfs/dbraw/zinc/79/85/79/710798579.db2.gz FKPVDMODBZVIFJ-UHFFFAOYSA-N 1 2 238.331 0.622 20 0 BCADLO CN(C(=O)Cc1ccccc1)C1C[NH+](CCO)C1 ZINC001043112367 710804300 /nfs/dbraw/zinc/80/43/00/710804300.db2.gz FQLCVERXBDBAJL-UHFFFAOYSA-N 1 2 248.326 0.364 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccc(OC)nc2)C1 ZINC001043275960 710805418 /nfs/dbraw/zinc/80/54/18/710805418.db2.gz NKOBJYIYMWOBKH-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)c2cnco2)C1 ZINC001043496123 710807971 /nfs/dbraw/zinc/80/79/71/710807971.db2.gz HUJKMRVOJXIXFQ-UHFFFAOYSA-N 1 2 223.276 0.839 20 0 BCADLO CN(C(=O)[C@@H]1CC[C@H](F)C1)C1C[NH+](CCO)C1 ZINC001043659890 710810836 /nfs/dbraw/zinc/81/08/36/710810836.db2.gz QHRYJGJSRYQSDK-ZJUUUORDSA-N 1 2 244.310 0.260 20 0 BCADLO CN(C(=O)[C@H]1CCC1(C)C)C1C[NH+](CCO)C1 ZINC001043584937 710811135 /nfs/dbraw/zinc/81/11/35/710811135.db2.gz IOCJMJLVDPNYHG-LLVKDONJSA-N 1 2 240.347 0.558 20 0 BCADLO Cc1ncccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043698694 710811258 /nfs/dbraw/zinc/81/12/58/710811258.db2.gz HROXAKBYVRKJNP-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001043762363 710812399 /nfs/dbraw/zinc/81/23/99/710812399.db2.gz XSZXGQKYIKPHMW-ZJUUUORDSA-N 1 2 226.320 0.167 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@@H]2C)C1 ZINC001043756754 710812766 /nfs/dbraw/zinc/81/27/66/710812766.db2.gz VQYCSOLUCNNBET-WDEREUQCSA-N 1 2 240.347 0.822 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000393857442 710813465 /nfs/dbraw/zinc/81/34/65/710813465.db2.gz WEPJTTSMHACYJO-UHFFFAOYSA-N 1 2 227.271 0.977 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cccc(OC)n2)C1 ZINC001044129400 710819548 /nfs/dbraw/zinc/81/95/48/710819548.db2.gz PLACLMMUHFVJBL-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044124752 710820530 /nfs/dbraw/zinc/82/05/30/710820530.db2.gz OPPZGFDRJVKFPW-YPMHNXCESA-N 1 2 240.347 0.558 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnc(C)n2)C1 ZINC001044309256 710823183 /nfs/dbraw/zinc/82/31/83/710823183.db2.gz ALYCWLBPDJPJFS-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001046087326 710846505 /nfs/dbraw/zinc/84/65/05/710846505.db2.gz QIDIJDOXFMLLKP-LBPRGKRZSA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C)n2)C1 ZINC001046087326 710846510 /nfs/dbraw/zinc/84/65/10/710846510.db2.gz QIDIJDOXFMLLKP-LBPRGKRZSA-N 1 2 236.319 0.521 20 0 BCADLO CC(C)(C)SCC[N@@H+]1CCNC(=O)C1 ZINC000801910502 710874070 /nfs/dbraw/zinc/87/40/70/710874070.db2.gz RKXKBJUCKHYZSJ-UHFFFAOYSA-N 1 2 216.350 0.950 20 0 BCADLO CC(C)(C)SCC[N@H+]1CCNC(=O)C1 ZINC000801910502 710874071 /nfs/dbraw/zinc/87/40/71/710874071.db2.gz RKXKBJUCKHYZSJ-UHFFFAOYSA-N 1 2 216.350 0.950 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]Cc1cnsn1 ZINC000399728927 710911851 /nfs/dbraw/zinc/91/18/51/710911851.db2.gz IXUMQIRRVUXEKS-QMMMGPOBSA-N 1 2 223.305 0.913 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C)CCO2 ZINC001053140362 710919879 /nfs/dbraw/zinc/91/98/79/710919879.db2.gz FJUDXTXVHJWIRY-WDEREUQCSA-N 1 2 238.331 0.576 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC1)CO2 ZINC001053719426 710922452 /nfs/dbraw/zinc/92/24/52/710922452.db2.gz BXFMCFOCVPFIJV-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)[C@@H](C)C1 ZINC001054300282 710925677 /nfs/dbraw/zinc/92/56/77/710925677.db2.gz ZQHKZEALYJGJCE-XVKPBYJWSA-N 1 2 238.291 0.334 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054300279 710926002 /nfs/dbraw/zinc/92/60/02/710926002.db2.gz ZQHKZEALYJGJCE-GMSGAONNSA-N 1 2 238.291 0.334 20 0 BCADLO CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054300444 710926008 /nfs/dbraw/zinc/92/60/08/710926008.db2.gz FJBVQFHCSFHFOZ-OIBJUYFYSA-N 1 2 238.291 0.334 20 0 BCADLO CC[C@H](C[N@@H+]1CCOC[C@@H]1CNC(C)=O)OC ZINC001050780572 710954581 /nfs/dbraw/zinc/95/45/81/710954581.db2.gz DPFOWLAFGKAXCE-NWDGAFQWSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C[N@H+]1CCOC[C@@H]1CNC(C)=O)OC ZINC001050780572 710954584 /nfs/dbraw/zinc/95/45/84/710954584.db2.gz DPFOWLAFGKAXCE-NWDGAFQWSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC1 ZINC001050780765 710954877 /nfs/dbraw/zinc/95/48/77/710954877.db2.gz NEXHLGNDBWGKTA-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC1 ZINC001050780765 710954880 /nfs/dbraw/zinc/95/48/80/710954880.db2.gz NEXHLGNDBWGKTA-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1=CCCC1 ZINC001050874755 710956323 /nfs/dbraw/zinc/95/63/23/710956323.db2.gz UADAZBDKWLGSMC-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1=CCCC1 ZINC001050874755 710956329 /nfs/dbraw/zinc/95/63/29/710956329.db2.gz UADAZBDKWLGSMC-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001051123368 710956527 /nfs/dbraw/zinc/95/65/27/710956527.db2.gz WEIZBKFYEWHDRT-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001051123368 710956531 /nfs/dbraw/zinc/95/65/31/710956531.db2.gz WEIZBKFYEWHDRT-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058275863 710966861 /nfs/dbraw/zinc/96/68/61/710966861.db2.gz PAJWCVQAHBWOLC-SNVBAGLBSA-N 1 2 234.303 0.890 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@@H]2C)nc[nH+]1 ZINC000384828335 710998293 /nfs/dbraw/zinc/99/82/93/710998293.db2.gz UVFWDMWMTKAFFA-JGVFFNPUSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@@H]2C)[nH+]cn1 ZINC000384828335 710998296 /nfs/dbraw/zinc/99/82/96/710998296.db2.gz UVFWDMWMTKAFFA-JGVFFNPUSA-N 1 2 208.265 0.478 20 0 BCADLO Cn1c(=[NH2+])[n-]nc1SC[C@@H]1CCC[N@@H+]1C ZINC000386653670 711034487 /nfs/dbraw/zinc/03/44/87/711034487.db2.gz QXZRPASDOUYKAA-ZETCQYMHSA-N 1 2 227.337 0.414 20 0 BCADLO Cn1c(=[NH2+])[n-]nc1SC[C@@H]1CCC[N@H+]1C ZINC000386653670 711034492 /nfs/dbraw/zinc/03/44/92/711034492.db2.gz QXZRPASDOUYKAA-ZETCQYMHSA-N 1 2 227.337 0.414 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C)cc(=O)[nH]1 ZINC000388383627 711060094 /nfs/dbraw/zinc/06/00/94/711060094.db2.gz WHAVSCXPLCESCF-UHFFFAOYSA-N 1 2 219.248 0.836 20 0 BCADLO CC[N@@H+]1CCn2ncc(CNC(=O)C3CC3)c2C1 ZINC001069850382 711072531 /nfs/dbraw/zinc/07/25/31/711072531.db2.gz PNMMOLZIGTXIQR-UHFFFAOYSA-N 1 2 248.330 0.745 20 0 BCADLO CC[N@H+]1CCn2ncc(CNC(=O)C3CC3)c2C1 ZINC001069850382 711072533 /nfs/dbraw/zinc/07/25/33/711072533.db2.gz PNMMOLZIGTXIQR-UHFFFAOYSA-N 1 2 248.330 0.745 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cnn3ccccc23)n1 ZINC000389810668 711089926 /nfs/dbraw/zinc/08/99/26/711089926.db2.gz FSZUNTHMAYMHQR-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CCOC(=O)/C=C\C[N@H+](CC)CC(=O)NC ZINC000390020430 711105256 /nfs/dbraw/zinc/10/52/56/711105256.db2.gz FIAPJIOTWLFFSG-SREVYHEPSA-N 1 2 228.292 0.174 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+](CC)CC(=O)NC ZINC000390020430 711105257 /nfs/dbraw/zinc/10/52/57/711105257.db2.gz FIAPJIOTWLFFSG-SREVYHEPSA-N 1 2 228.292 0.174 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H]1C(N)=O ZINC000390049471 711105273 /nfs/dbraw/zinc/10/52/73/711105273.db2.gz PPNODQRCOQZUEB-RNEXMXFGSA-N 1 2 226.276 0.055 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@H]1C(N)=O ZINC000390049471 711105274 /nfs/dbraw/zinc/10/52/74/711105274.db2.gz PPNODQRCOQZUEB-RNEXMXFGSA-N 1 2 226.276 0.055 20 0 BCADLO CCn1cc(C[NH2+]Cc2cnn(C)n2)cn1 ZINC000390402272 711114757 /nfs/dbraw/zinc/11/47/57/711114757.db2.gz AGQNIQSFURZMMB-UHFFFAOYSA-N 1 2 220.280 0.321 20 0 BCADLO Cc1nnc(C[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000391986417 711142910 /nfs/dbraw/zinc/14/29/10/711142910.db2.gz SIGHSPBMMGNNPA-ZCFIWIBFSA-N 1 2 228.321 0.413 20 0 BCADLO Cn1ncc(C[NH2+]CC2(C)OCCCO2)n1 ZINC000393494749 711160633 /nfs/dbraw/zinc/16/06/33/711160633.db2.gz VLYIAYZQNSDEHT-UHFFFAOYSA-N 1 2 226.280 0.058 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H](O)c1ccco1 ZINC000725884274 711200910 /nfs/dbraw/zinc/20/09/10/711200910.db2.gz PJJWOFCSBIFWAQ-JTQLQIEISA-N 1 2 249.270 0.716 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1C#N ZINC000398360926 711409233 /nfs/dbraw/zinc/40/92/33/711409233.db2.gz XKTOMVWBQGOSCY-UHFFFAOYSA-N 1 2 243.270 0.975 20 0 BCADLO CNc1cc(N2C[C@H](C)C[C@H](CO)C2)nc[nH+]1 ZINC000398616900 711413571 /nfs/dbraw/zinc/41/35/71/711413571.db2.gz DBRYCKVFANUKDS-ZJUUUORDSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2C[C@H](C)C[C@H](CO)C2)[nH+]cn1 ZINC000398616900 711413573 /nfs/dbraw/zinc/41/35/73/711413573.db2.gz DBRYCKVFANUKDS-ZJUUUORDSA-N 1 2 236.319 0.973 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cnsn2)C1 ZINC000399915131 711436780 /nfs/dbraw/zinc/43/67/80/711436780.db2.gz KBEYFKOUQMXHNX-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cnsn2)C1 ZINC000399915131 711436782 /nfs/dbraw/zinc/43/67/82/711436782.db2.gz KBEYFKOUQMXHNX-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018382944 710664030 /nfs/dbraw/zinc/66/40/30/710664030.db2.gz SNAZCEIWASOQMF-QMMMGPOBSA-N 1 2 226.305 0.249 20 0 BCADLO Fc1c[nH+]ccc1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724555658 710742097 /nfs/dbraw/zinc/74/20/97/710742097.db2.gz DQAPBPGCKPUZIF-LNLATYFQSA-N 1 2 238.262 0.858 20 0 BCADLO CN(C(=O)c1ccco1)C1C[NH+](CCCO)C1 ZINC001042416608 710781278 /nfs/dbraw/zinc/78/12/78/710781278.db2.gz RTAPFVQHGQMFCF-UHFFFAOYSA-N 1 2 238.287 0.418 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc(CO)cc2)n1 ZINC000383737665 710895705 /nfs/dbraw/zinc/89/57/05/710895705.db2.gz HUEATYADRHAJCI-UHFFFAOYSA-N 1 2 232.287 0.597 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)F)CO2 ZINC001053718789 710922343 /nfs/dbraw/zinc/92/23/43/710922343.db2.gz PECRHYNRXJTQLR-SECBINFHSA-N 1 2 244.310 0.714 20 0 BCADLO COCC(COC)Sc1nc(N)cc(C)[nH+]1 ZINC000384923106 711000246 /nfs/dbraw/zinc/00/02/46/711000246.db2.gz GVPGRGHLCLFRLO-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001068147464 711002591 /nfs/dbraw/zinc/00/25/91/711002591.db2.gz YJFARABTHVSEAK-CNDDSTCGSA-N 1 2 246.314 0.603 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000384993539 711003398 /nfs/dbraw/zinc/00/33/98/711003398.db2.gz FAPWHBQUIPWAII-ZJUUUORDSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000384993539 711003400 /nfs/dbraw/zinc/00/34/00/711003400.db2.gz FAPWHBQUIPWAII-ZJUUUORDSA-N 1 2 215.293 0.785 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cn2ccccc2n1 ZINC000397526057 711385753 /nfs/dbraw/zinc/38/57/53/711385753.db2.gz POAYKMOUXWCCGI-UHFFFAOYSA-N 1 2 248.286 0.444 20 0 BCADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074130131 711441290 /nfs/dbraw/zinc/44/12/90/711441290.db2.gz BXBZWVPSUFGSGZ-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074130131 711441293 /nfs/dbraw/zinc/44/12/93/711441293.db2.gz BXBZWVPSUFGSGZ-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CCC[C@@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000050829010 711503168 /nfs/dbraw/zinc/50/31/68/711503168.db2.gz QJWWOTJJKWMLFR-VIFPVBQESA-N 1 2 248.286 0.884 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000383298718 711547495 /nfs/dbraw/zinc/54/74/95/711547495.db2.gz LLNJNRLVAXUPQA-SNVBAGLBSA-N 1 2 236.319 0.786 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)c1nc(C)[nH+]c(N)n1 ZINC000724183158 711567012 /nfs/dbraw/zinc/56/70/12/711567012.db2.gz KFKBHOHQBLPUFJ-SFYZADRCSA-N 1 2 223.280 0.376 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@H](CO)COC)n1 ZINC000926337296 711572655 /nfs/dbraw/zinc/57/26/55/711572655.db2.gz KPWYSKTULFXYHE-PSASIEDQSA-N 1 2 242.323 0.264 20 0 BCADLO CC[C@](C)(O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000383533776 711575232 /nfs/dbraw/zinc/57/52/32/711575232.db2.gz RSCTXPYTAIBQMF-NSHDSACASA-N 1 2 235.291 0.792 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC[S@@](C)=O ZINC000724775031 711611372 /nfs/dbraw/zinc/61/13/72/711611372.db2.gz SIQUFSDVJBYHGF-CQSZACIVSA-N 1 2 215.322 0.528 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC[S@@](C)=O ZINC000724775031 711611373 /nfs/dbraw/zinc/61/13/73/711611373.db2.gz SIQUFSDVJBYHGF-CQSZACIVSA-N 1 2 215.322 0.528 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000724888265 711625436 /nfs/dbraw/zinc/62/54/36/711625436.db2.gz XOLUWHVXIDYDSC-GHMZBOCLSA-N 1 2 226.276 0.877 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001075466574 711628862 /nfs/dbraw/zinc/62/88/62/711628862.db2.gz YERWEHMRGGWNQP-CMPLNLGQSA-N 1 2 235.287 0.727 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001075466574 711628864 /nfs/dbraw/zinc/62/88/64/711628864.db2.gz YERWEHMRGGWNQP-CMPLNLGQSA-N 1 2 235.287 0.727 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO[C@@H]1CCOC1)C(C)C ZINC000724929638 711629717 /nfs/dbraw/zinc/62/97/17/711629717.db2.gz CIITXWNQBQRAPS-GHMZBOCLSA-N 1 2 245.319 0.579 20 0 BCADLO OCC[NH+](CCO)Cc1cccnc1Cl ZINC000052709357 711633246 /nfs/dbraw/zinc/63/32/46/711633246.db2.gz SMDFCTGQBGHMSP-UHFFFAOYSA-N 1 2 230.695 0.522 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724962005 711637647 /nfs/dbraw/zinc/63/76/47/711637647.db2.gz UQADZKUCIUVRRQ-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724962005 711637650 /nfs/dbraw/zinc/63/76/50/711637650.db2.gz UQADZKUCIUVRRQ-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000924564627 711671106 /nfs/dbraw/zinc/67/11/06/711671106.db2.gz PCPFFGBTJWDRAX-HRDYMLBCSA-N 1 2 237.307 0.398 20 0 BCADLO O=C(c1ncc[nH]1)N1CCC[N@@H+](CCF)CC1 ZINC000981120108 711752575 /nfs/dbraw/zinc/75/25/75/711752575.db2.gz WHEYJMHWKVNZQK-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO O=C(c1ncc[nH]1)N1CCC[N@H+](CCF)CC1 ZINC000981120108 711752578 /nfs/dbraw/zinc/75/25/78/711752578.db2.gz WHEYJMHWKVNZQK-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000894474743 711771523 /nfs/dbraw/zinc/77/15/23/711771523.db2.gz FHZJYMFCGOYHNA-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000894474743 711771524 /nfs/dbraw/zinc/77/15/24/711771524.db2.gz FHZJYMFCGOYHNA-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880418743 711772813 /nfs/dbraw/zinc/77/28/13/711772813.db2.gz DLDYNXCWYSREFP-MWLCHTKSSA-N 1 2 213.277 0.252 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880418743 711772815 /nfs/dbraw/zinc/77/28/15/711772815.db2.gz DLDYNXCWYSREFP-MWLCHTKSSA-N 1 2 213.277 0.252 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CCCO)C1 ZINC000909436981 711775923 /nfs/dbraw/zinc/77/59/23/711775923.db2.gz CRNAHLWKSYTYFZ-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO COCC(COC)[NH2+]Cc1nnc(C)s1 ZINC000391964044 711779144 /nfs/dbraw/zinc/77/91/44/711779144.db2.gz PSCFEAZGDQRGQW-UHFFFAOYSA-N 1 2 231.321 0.598 20 0 BCADLO CC(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001076753483 711808420 /nfs/dbraw/zinc/80/84/20/711808420.db2.gz LVAHHMLWIVGHOE-HIHHVFROSA-N 1 2 246.738 0.556 20 0 BCADLO CC(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001076753483 711808421 /nfs/dbraw/zinc/80/84/21/711808421.db2.gz LVAHHMLWIVGHOE-HIHHVFROSA-N 1 2 246.738 0.556 20 0 BCADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CC=CC1 ZINC001076824883 711808922 /nfs/dbraw/zinc/80/89/22/711808922.db2.gz BCOZLFWANPYVCR-GHMZBOCLSA-N 1 2 242.294 0.083 20 0 BCADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CC=CC1 ZINC001076824883 711808923 /nfs/dbraw/zinc/80/89/23/711808923.db2.gz BCOZLFWANPYVCR-GHMZBOCLSA-N 1 2 242.294 0.083 20 0 BCADLO COCC[NH2+]Cc1nc([C@H]2C[C@@H]2C)no1 ZINC000083810997 711810170 /nfs/dbraw/zinc/81/01/70/711810170.db2.gz ZVWDOEGWLGBURC-YUMQZZPRSA-N 1 2 211.265 0.929 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907535060 711815838 /nfs/dbraw/zinc/81/58/38/711815838.db2.gz QOZGBYMQUVDRSP-RKDXNWHRSA-N 1 2 223.276 0.228 20 0 BCADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[C@H]1O ZINC000907536861 711815868 /nfs/dbraw/zinc/81/58/68/711815868.db2.gz GBMLYMFRHHAMDF-WDEREUQCSA-N 1 2 249.314 0.723 20 0 BCADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[C@@H]1O ZINC000907536860 711815926 /nfs/dbraw/zinc/81/59/26/711815926.db2.gz GBMLYMFRHHAMDF-QWRGUYRKSA-N 1 2 249.314 0.723 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2CCC2)C1 ZINC001042398859 711818999 /nfs/dbraw/zinc/81/89/99/711818999.db2.gz PFXBNYYIOPQBNA-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000913531903 711824522 /nfs/dbraw/zinc/82/45/22/711824522.db2.gz BSVFVSDPYBQOQN-CWUQZGLOSA-N 1 2 248.326 0.517 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000913531903 711824523 /nfs/dbraw/zinc/82/45/23/711824523.db2.gz BSVFVSDPYBQOQN-CWUQZGLOSA-N 1 2 248.326 0.517 20 0 BCADLO CCn1cc(CC[NH+]2CC(NC(C)=O)C2)cn1 ZINC001030038307 711825945 /nfs/dbraw/zinc/82/59/45/711825945.db2.gz IISSAWUFGOJOSW-UHFFFAOYSA-N 1 2 236.319 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)c2csnc2C)C1 ZINC001030236445 711829106 /nfs/dbraw/zinc/82/91/06/711829106.db2.gz NAJAJXBHFCBTPS-UHFFFAOYSA-N 1 2 225.317 0.885 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001030421314 711832889 /nfs/dbraw/zinc/83/28/89/711832889.db2.gz BZSSCGIXXIHOCM-RYUDHWBXSA-N 1 2 240.347 0.868 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccn3nccc23)C1 ZINC001030610028 711838088 /nfs/dbraw/zinc/83/80/88/711838088.db2.gz BWDJKJGGFJQHNZ-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CC1(C)CC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000087729041 711839793 /nfs/dbraw/zinc/83/97/93/711839793.db2.gz KQRPWALYFNSJIZ-UHFFFAOYSA-N 1 2 233.271 0.949 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001030839209 711844613 /nfs/dbraw/zinc/84/46/13/711844613.db2.gz ZZOKNVQAAJMMKF-VIFPVBQESA-N 1 2 234.303 0.400 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1csnn1 ZINC001015430837 711861630 /nfs/dbraw/zinc/86/16/30/711861630.db2.gz ZVJTYHUWQWGYNG-ZETCQYMHSA-N 1 2 244.295 0.312 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1csnn1 ZINC001015430837 711861633 /nfs/dbraw/zinc/86/16/33/711861633.db2.gz ZVJTYHUWQWGYNG-ZETCQYMHSA-N 1 2 244.295 0.312 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC001031202655 711868298 /nfs/dbraw/zinc/86/82/98/711868298.db2.gz TUBOYXLBMHIYIZ-UHFFFAOYSA-N 1 2 235.287 0.986 20 0 BCADLO COC(=O)c1nccc(NCc2c[nH+]cn2C)n1 ZINC000388466366 711882775 /nfs/dbraw/zinc/88/27/75/711882775.db2.gz JUCCAZBNLIUBDG-UHFFFAOYSA-N 1 2 247.258 0.031 20 0 BCADLO C[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)C1CCC1 ZINC001043052644 711931679 /nfs/dbraw/zinc/93/16/79/711931679.db2.gz SUQIPRJWFFMCSG-SNVBAGLBSA-N 1 2 240.347 0.558 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001054300399 711945746 /nfs/dbraw/zinc/94/57/46/711945746.db2.gz DKXLBSQDSUSZNO-GMSGAONNSA-N 1 2 240.332 0.495 20 0 BCADLO COc1cc(C)nc(NCc2c[nH+]cn2C)n1 ZINC000357603547 711950020 /nfs/dbraw/zinc/95/00/20/711950020.db2.gz PHZVIUFAHJQJAA-UHFFFAOYSA-N 1 2 233.275 0.561 20 0 BCADLO CNc1cc(N(C)Cc2cnccn2)nc[nH+]1 ZINC000700075903 711985661 /nfs/dbraw/zinc/98/56/61/711985661.db2.gz VRCXHVAZPKOEQG-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO CNc1cc(N(C)Cc2cnccn2)[nH+]cn1 ZINC000700075903 711985664 /nfs/dbraw/zinc/98/56/64/711985664.db2.gz VRCXHVAZPKOEQG-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO CC[C@@H](Nc1cc(NC)[nH+]cn1)C(=O)NC ZINC000700545309 711997440 /nfs/dbraw/zinc/99/74/40/711997440.db2.gz OSFJOAUHICAARV-SSDOTTSWSA-N 1 2 223.280 0.455 20 0 BCADLO CC[C@@H](Nc1cc(NC)nc[nH+]1)C(=O)NC ZINC000700545309 711997443 /nfs/dbraw/zinc/99/74/43/711997443.db2.gz OSFJOAUHICAARV-SSDOTTSWSA-N 1 2 223.280 0.455 20 0 BCADLO CCN(C(C)=O)[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001033713375 712015761 /nfs/dbraw/zinc/01/57/61/712015761.db2.gz BOINXCCFPHKZAC-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CCN(C(C)=O)[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001033713375 712015762 /nfs/dbraw/zinc/01/57/62/712015762.db2.gz BOINXCCFPHKZAC-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CC[N@H+](CCO[C@@H]1CC1(F)F)CC(=O)OC ZINC000701846481 712031346 /nfs/dbraw/zinc/03/13/46/712031346.db2.gz BALFCVIQFLDSNF-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CC[N@@H+](CCO[C@@H]1CC1(F)F)CC(=O)OC ZINC000701846481 712031347 /nfs/dbraw/zinc/03/13/47/712031347.db2.gz BALFCVIQFLDSNF-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CO[C@](C)(CO)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000702531756 712055071 /nfs/dbraw/zinc/05/50/71/712055071.db2.gz LKQGVFKICDKZJJ-PWSUYJOCSA-N 1 2 239.319 0.774 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccc(N)nn1 ZINC000703978293 712097805 /nfs/dbraw/zinc/09/78/05/712097805.db2.gz WWJRVYCFWGFCND-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(N)nn1 ZINC000703978293 712097807 /nfs/dbraw/zinc/09/78/07/712097807.db2.gz WWJRVYCFWGFCND-UHFFFAOYSA-N 1 2 237.307 0.017 20 0 BCADLO COCCN(C)CC[NH2+]Cc1nnc(C)s1 ZINC000704745068 712114697 /nfs/dbraw/zinc/11/46/97/712114697.db2.gz CJKWNPPXZHVJDM-UHFFFAOYSA-N 1 2 244.364 0.514 20 0 BCADLO CNc1cc(N[C@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000709108111 712208861 /nfs/dbraw/zinc/20/88/61/712208861.db2.gz JZOGQUMHVXPJLF-VIFPVBQESA-N 1 2 249.318 0.940 20 0 BCADLO CNc1cc(N[C@H]2CCN(C(C)C)C2=O)[nH+]cn1 ZINC000709108111 712208862 /nfs/dbraw/zinc/20/88/62/712208862.db2.gz JZOGQUMHVXPJLF-VIFPVBQESA-N 1 2 249.318 0.940 20 0 BCADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnsn1)C2 ZINC000709816810 712228087 /nfs/dbraw/zinc/22/80/87/712228087.db2.gz QCPGLRBGLXVVKG-FKTZTGRPSA-N 1 2 225.317 0.883 20 0 BCADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnsn1)C2 ZINC000709816810 712228089 /nfs/dbraw/zinc/22/80/89/712228089.db2.gz QCPGLRBGLXVVKG-FKTZTGRPSA-N 1 2 225.317 0.883 20 0 BCADLO C[C@H]1COC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000711083048 712278865 /nfs/dbraw/zinc/27/88/65/712278865.db2.gz NECGAOHTVPKAAW-IONNQARKSA-N 1 2 233.275 0.810 20 0 BCADLO C[C@H]1COC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000711082553 712278914 /nfs/dbraw/zinc/27/89/14/712278914.db2.gz NECGAOHTVPKAAW-CBAPKCEASA-N 1 2 233.275 0.810 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711748200 712324107 /nfs/dbraw/zinc/32/41/07/712324107.db2.gz ZJUYILKLVWGAIW-JTQLQIEISA-N 1 2 234.303 0.586 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1C=CCC1 ZINC000711759022 712326738 /nfs/dbraw/zinc/32/67/38/712326738.db2.gz JNVYRTGCPATKRG-JTQLQIEISA-N 1 2 205.261 0.966 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711804000 712332128 /nfs/dbraw/zinc/33/21/28/712332128.db2.gz XJJGMVYBMGZLQO-UHFFFAOYSA-N 1 2 236.319 0.834 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001079322887 712345870 /nfs/dbraw/zinc/34/58/70/712345870.db2.gz CANBLRJYPZEULT-PRHODGIISA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001079322887 712345872 /nfs/dbraw/zinc/34/58/72/712345872.db2.gz CANBLRJYPZEULT-PRHODGIISA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001079322913 712345931 /nfs/dbraw/zinc/34/59/31/712345931.db2.gz DFUIUIFHEXIUBH-BXKDBHETSA-N 1 2 248.330 0.741 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001079322913 712345933 /nfs/dbraw/zinc/34/59/33/712345933.db2.gz DFUIUIFHEXIUBH-BXKDBHETSA-N 1 2 248.330 0.741 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001079329032 712347274 /nfs/dbraw/zinc/34/72/74/712347274.db2.gz XVHLJULJTGCRAZ-LDYMZIIASA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001079329032 712347277 /nfs/dbraw/zinc/34/72/77/712347277.db2.gz XVHLJULJTGCRAZ-LDYMZIIASA-N 1 2 237.303 0.939 20 0 BCADLO CNc1cc(NC[C@@H](OC)C2CC2)[nH+]cn1 ZINC000378708753 712358368 /nfs/dbraw/zinc/35/83/68/712358368.db2.gz ROWUCYABDKTZQS-SECBINFHSA-N 1 2 222.292 0.777 20 0 BCADLO CC[N@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706165548 712372546 /nfs/dbraw/zinc/37/25/46/712372546.db2.gz FFVVELSXIXGEFZ-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706165548 712372548 /nfs/dbraw/zinc/37/25/48/712372548.db2.gz FFVVELSXIXGEFZ-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CCN1CC[C@@H]1C[NH2+]Cc1csnn1 ZINC000712529937 712441523 /nfs/dbraw/zinc/44/15/23/712441523.db2.gz OCOSAUFDBYBRSW-SECBINFHSA-N 1 2 212.322 0.722 20 0 BCADLO Cc1nc(NCC2(S(N)(=O)=O)CC2)cc[nH+]1 ZINC000713942642 712474140 /nfs/dbraw/zinc/47/41/40/712474140.db2.gz PMMFOVDIVCPQNX-UHFFFAOYSA-N 1 2 242.304 0.018 20 0 BCADLO CCn1cc(C[NH2+]CCc2n[nH]c(C)n2)nn1 ZINC000714919453 712500018 /nfs/dbraw/zinc/50/00/18/712500018.db2.gz YLFDLVAHESEWJV-UHFFFAOYSA-N 1 2 235.295 0.057 20 0 BCADLO CCn1cc(C[NH2+]CCc2nnc(C)[nH]2)nn1 ZINC000714919453 712500019 /nfs/dbraw/zinc/50/00/19/712500019.db2.gz YLFDLVAHESEWJV-UHFFFAOYSA-N 1 2 235.295 0.057 20 0 BCADLO CC1(C)OC[C@H](C[NH2+]CC(F)(F)CO)O1 ZINC000715115931 712510539 /nfs/dbraw/zinc/51/05/39/712510539.db2.gz RZXQSCPEVAFEBM-ZETCQYMHSA-N 1 2 225.235 0.355 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCCC23OCCO3)n1 ZINC000715760931 712532042 /nfs/dbraw/zinc/53/20/42/712532042.db2.gz JPOCHXFLQUWZHD-JTQLQIEISA-N 1 2 238.291 0.200 20 0 BCADLO CCCn1cc(C[NH2+]CC2OCCCO2)nn1 ZINC000716340465 712555281 /nfs/dbraw/zinc/55/52/81/712555281.db2.gz FXCARPGANDUIQO-UHFFFAOYSA-N 1 2 240.307 0.541 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716414120 712559745 /nfs/dbraw/zinc/55/97/45/712559745.db2.gz WZUYVSTZBPXPKD-UHFFFAOYSA-N 1 2 238.335 0.798 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COC1CC1 ZINC000716894401 712580934 /nfs/dbraw/zinc/58/09/34/712580934.db2.gz PAGDFQLYFHKYEH-UHFFFAOYSA-N 1 2 209.249 0.513 20 0 BCADLO O=C(COC1CC1)NCCc1[nH]cc[nH+]1 ZINC000716915485 712581926 /nfs/dbraw/zinc/58/19/26/712581926.db2.gz IVDXCLFSMSJMPH-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO CC(C)[N@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000812862464 712587192 /nfs/dbraw/zinc/58/71/92/712587192.db2.gz UEGFYAZCAVZEGX-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000812862464 712587193 /nfs/dbraw/zinc/58/71/93/712587193.db2.gz UEGFYAZCAVZEGX-LLVKDONJSA-N 1 2 224.308 0.814 20 0 BCADLO CCn1ncc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000815614954 712589297 /nfs/dbraw/zinc/58/92/97/712589297.db2.gz DXJGYOKLSOTQFQ-UHFFFAOYSA-N 1 2 246.274 0.192 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000379845447 712616883 /nfs/dbraw/zinc/61/68/83/712616883.db2.gz FCAXTJKLOUQTQP-VIFPVBQESA-N 1 2 233.271 0.927 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@H+]1C ZINC000379845447 712616884 /nfs/dbraw/zinc/61/68/84/712616884.db2.gz FCAXTJKLOUQTQP-VIFPVBQESA-N 1 2 233.271 0.927 20 0 BCADLO C[C@H](O)[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000717388014 712653180 /nfs/dbraw/zinc/65/31/80/712653180.db2.gz OKQKXEQWEGKAGJ-QPUJVOFHSA-N 1 2 235.287 0.394 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C3OCCO3)C2)no1 ZINC000718981567 712791014 /nfs/dbraw/zinc/79/10/14/712791014.db2.gz VWEYQHPJDIPLFA-VIFPVBQESA-N 1 2 239.275 0.573 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C3OCCO3)C2)no1 ZINC000718981567 712791016 /nfs/dbraw/zinc/79/10/16/712791016.db2.gz VWEYQHPJDIPLFA-VIFPVBQESA-N 1 2 239.275 0.573 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000720418906 712841245 /nfs/dbraw/zinc/84/12/45/712841245.db2.gz CQRZCLLTFMRJAX-SECBINFHSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1conc1C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000720421669 712842019 /nfs/dbraw/zinc/84/20/19/712842019.db2.gz JCHURDWQWQVPLE-NSHDSACASA-N 1 2 225.292 0.973 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000407948318 136207172 /nfs/dbraw/zinc/20/71/72/136207172.db2.gz ZMRMTWLGRLVGLM-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000407948318 136207173 /nfs/dbraw/zinc/20/71/73/136207173.db2.gz ZMRMTWLGRLVGLM-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO O=S(=O)(NCCNc1cccc[nH+]1)C1CC1 ZINC000268421607 398138012 /nfs/dbraw/zinc/13/80/12/398138012.db2.gz LAYJASBLTUPPFO-UHFFFAOYSA-N 1 2 241.316 0.575 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CSC1(C)C ZINC000549578446 398139613 /nfs/dbraw/zinc/13/96/13/398139613.db2.gz OVNPWGDCRCARJJ-VIFPVBQESA-N 1 2 239.344 0.973 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000175029166 365524776 /nfs/dbraw/zinc/52/47/76/365524776.db2.gz BTIZOCHURSHTEV-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000649318236 398142747 /nfs/dbraw/zinc/14/27/47/398142747.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000649318236 398142749 /nfs/dbraw/zinc/14/27/49/398142749.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000649318236 398142752 /nfs/dbraw/zinc/14/27/52/398142752.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000649318236 398142753 /nfs/dbraw/zinc/14/27/53/398142753.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000649318236 398142756 /nfs/dbraw/zinc/14/27/56/398142756.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000649318236 398142757 /nfs/dbraw/zinc/14/27/57/398142757.db2.gz FZERVXFJCIWVBE-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCOC1 ZINC000159412446 136214296 /nfs/dbraw/zinc/21/42/96/136214296.db2.gz QPAWAMPCBIEQIJ-MRVPVSSYSA-N 1 2 224.264 0.008 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000649870836 398152239 /nfs/dbraw/zinc/15/22/39/398152239.db2.gz KWRMECSSPSYACM-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000649870836 398152242 /nfs/dbraw/zinc/15/22/42/398152242.db2.gz KWRMECSSPSYACM-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000649869615 398155057 /nfs/dbraw/zinc/15/50/57/398155057.db2.gz IGWWSGUARHZGSF-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000649869615 398155060 /nfs/dbraw/zinc/15/50/60/398155060.db2.gz IGWWSGUARHZGSF-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@@H](F)C[N@H+](C)[C@@H](COC)C(N)=O ZINC000339356719 398155095 /nfs/dbraw/zinc/15/50/95/398155095.db2.gz BGQGULMWXFPGMA-SFYZADRCSA-N 1 2 206.261 0.167 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339356719 398155097 /nfs/dbraw/zinc/15/50/97/398155097.db2.gz BGQGULMWXFPGMA-SFYZADRCSA-N 1 2 206.261 0.167 20 0 BCADLO CNc1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000080633992 398182943 /nfs/dbraw/zinc/18/29/43/398182943.db2.gz LYPQHMRXADSINQ-UHFFFAOYSA-N 1 2 231.259 0.776 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccncn1 ZINC000396993522 398168863 /nfs/dbraw/zinc/16/88/63/398168863.db2.gz HPJOSKOIMYNGEN-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO COCC[N@H+](CC1(F)CC1)[C@@H](C)C(N)=O ZINC000527510496 398170255 /nfs/dbraw/zinc/17/02/55/398170255.db2.gz BGFQOJSNHOQBEW-QMMMGPOBSA-N 1 2 218.272 0.311 20 0 BCADLO COCC[N@@H+](CC1(F)CC1)[C@@H](C)C(N)=O ZINC000527510496 398170258 /nfs/dbraw/zinc/17/02/58/398170258.db2.gz BGFQOJSNHOQBEW-QMMMGPOBSA-N 1 2 218.272 0.311 20 0 BCADLO Cc1nc(CC[N@@H+](C)Cc2ncc[nH]2)no1 ZINC000353097727 398171245 /nfs/dbraw/zinc/17/12/45/398171245.db2.gz PFFATNCTXVVLRN-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CC[N@H+](C)Cc2ncc[nH]2)no1 ZINC000353097727 398171251 /nfs/dbraw/zinc/17/12/51/398171251.db2.gz PFFATNCTXVVLRN-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(CCN(C)Cc2[nH]cc[nH+]2)no1 ZINC000353097727 398171252 /nfs/dbraw/zinc/17/12/52/398171252.db2.gz PFFATNCTXVVLRN-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000527537605 398171890 /nfs/dbraw/zinc/17/18/90/398171890.db2.gz DREGINKGKYASCQ-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000527537605 398171891 /nfs/dbraw/zinc/17/18/91/398171891.db2.gz DREGINKGKYASCQ-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000045753341 398183347 /nfs/dbraw/zinc/18/33/47/398183347.db2.gz MOQKLTNWFBHGHA-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000045753341 398183350 /nfs/dbraw/zinc/18/33/50/398183350.db2.gz MOQKLTNWFBHGHA-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CCCCNC2=O)no1 ZINC000044424570 178040289 /nfs/dbraw/zinc/04/02/89/178040289.db2.gz BWRGOONNKPXPPI-JTQLQIEISA-N 1 2 223.276 0.741 20 0 BCADLO COCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882687 398160838 /nfs/dbraw/zinc/16/08/38/398160838.db2.gz ZKDVIZXQQYVIIH-LBPRGKRZSA-N 1 2 239.319 0.830 20 0 BCADLO COCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882687 398160841 /nfs/dbraw/zinc/16/08/41/398160841.db2.gz ZKDVIZXQQYVIIH-LBPRGKRZSA-N 1 2 239.319 0.830 20 0 BCADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885120 398163284 /nfs/dbraw/zinc/16/32/84/398163284.db2.gz IQCHDFLWXOTTPB-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885120 398163288 /nfs/dbraw/zinc/16/32/88/398163288.db2.gz IQCHDFLWXOTTPB-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885117 398163577 /nfs/dbraw/zinc/16/35/77/398163577.db2.gz IQCHDFLWXOTTPB-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885117 398163580 /nfs/dbraw/zinc/16/35/80/398163580.db2.gz IQCHDFLWXOTTPB-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000245458267 398165191 /nfs/dbraw/zinc/16/51/91/398165191.db2.gz CRIOAQJWGDKENU-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000245458267 398165195 /nfs/dbraw/zinc/16/51/95/398165195.db2.gz CRIOAQJWGDKENU-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO C[N@@H+]1CCO[C@H](CSc2cccnn2)C1 ZINC000576223342 365527788 /nfs/dbraw/zinc/52/77/88/365527788.db2.gz XJNZWLGAJZDBFV-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@H](CSc2cccnn2)C1 ZINC000576223342 365527794 /nfs/dbraw/zinc/52/77/94/365527794.db2.gz XJNZWLGAJZDBFV-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO COC(=O)C[C@@]1([NH2+]CC(F)F)CCOC1 ZINC000380343853 343981483 /nfs/dbraw/zinc/98/14/83/343981483.db2.gz SNOWNWJFFNNLJJ-VIFPVBQESA-N 1 2 223.219 0.563 20 0 BCADLO Cc1cc(F)ccc1C[NH2+]Cc1nnn(C)n1 ZINC000362966297 178087538 /nfs/dbraw/zinc/08/75/38/178087538.db2.gz KSJLZNNOHVLTHY-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](F)C1 ZINC000649942980 398193595 /nfs/dbraw/zinc/19/35/95/398193595.db2.gz UUFHDMMZBXZRRT-HBNTYKKESA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](F)C1 ZINC000649942980 398193598 /nfs/dbraw/zinc/19/35/98/398193598.db2.gz UUFHDMMZBXZRRT-HBNTYKKESA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](F)C1 ZINC000649942979 398193634 /nfs/dbraw/zinc/19/36/34/398193634.db2.gz UUFHDMMZBXZRRT-AXFHLTTASA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](F)C1 ZINC000649942979 398193637 /nfs/dbraw/zinc/19/36/37/398193637.db2.gz UUFHDMMZBXZRRT-AXFHLTTASA-N 1 2 244.310 0.714 20 0 BCADLO CCc1cc(NCC[C@@](C)(O)COC)nc[nH+]1 ZINC000649389671 398196410 /nfs/dbraw/zinc/19/64/10/398196410.db2.gz XFMZKPRXVPNPGT-GFCCVEGCSA-N 1 2 239.319 0.660 20 0 BCADLO Cc1cc(N)nc(SCc2nn[nH]n2)[nH+]1 ZINC000298331250 178109530 /nfs/dbraw/zinc/10/95/30/178109530.db2.gz YOGIWGAKQPINFB-UHFFFAOYSA-N 1 2 223.265 0.173 20 0 BCADLO Cc1cc(N)nc(S[C@H]2CCN(C)C2=O)[nH+]1 ZINC000096630346 178110062 /nfs/dbraw/zinc/11/00/62/178110062.db2.gz RCUUNWSWOSBNPY-ZETCQYMHSA-N 1 2 238.316 0.690 20 0 BCADLO Cc1cc(N)nc(SCc2cn[nH]n2)[nH+]1 ZINC000287515595 178110256 /nfs/dbraw/zinc/11/02/56/178110256.db2.gz LRXBSGJSFNBZAP-UHFFFAOYSA-N 1 2 222.277 0.778 20 0 BCADLO Cc1cc(N)nc(SC[C@@H]2COCCO2)[nH+]1 ZINC000309244856 178110332 /nfs/dbraw/zinc/11/03/32/178110332.db2.gz BVIVOABYGRJNMG-QMMMGPOBSA-N 1 2 241.316 0.875 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC000558646515 398184667 /nfs/dbraw/zinc/18/46/67/398184667.db2.gz WWMYZBAHYJEKBH-JTQLQIEISA-N 1 2 223.276 0.378 20 0 BCADLO Cc1cc(N2CC(CC(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000360056771 178113442 /nfs/dbraw/zinc/11/34/42/178113442.db2.gz STPIJHMSGXLMMZ-UHFFFAOYSA-N 1 2 246.314 0.974 20 0 BCADLO c1nn[nH]c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000398339459 398200955 /nfs/dbraw/zinc/20/09/55/398200955.db2.gz MIMHXLDJHBJDRO-UHFFFAOYSA-N 1 2 246.270 0.866 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)C2CC(O)C2)on1 ZINC000331512487 178130113 /nfs/dbraw/zinc/13/01/13/178130113.db2.gz PRWJDXUIJYGWHH-UHFFFAOYSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)C2CC(O)C2)on1 ZINC000331512487 178130114 /nfs/dbraw/zinc/13/01/14/178130114.db2.gz PRWJDXUIJYGWHH-UHFFFAOYSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000179803014 178131024 /nfs/dbraw/zinc/13/10/24/178131024.db2.gz OPYGDFNLBASQFS-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000179803014 178131026 /nfs/dbraw/zinc/13/10/26/178131026.db2.gz OPYGDFNLBASQFS-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CO)no1 ZINC000050114657 178131318 /nfs/dbraw/zinc/13/13/18/178131318.db2.gz KQXKCRFSEBHLGW-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2CO)no1 ZINC000050114657 178131319 /nfs/dbraw/zinc/13/13/19/178131319.db2.gz KQXKCRFSEBHLGW-VIFPVBQESA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)no1 ZINC000106881087 178131352 /nfs/dbraw/zinc/13/13/52/178131352.db2.gz MBXWLPOYKRPKGZ-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCOC2)no1 ZINC000106881087 178131353 /nfs/dbraw/zinc/13/13/53/178131353.db2.gz MBXWLPOYKRPKGZ-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)NCCc2nnc[nH]2)cc[nH+]1 ZINC000120220893 178139198 /nfs/dbraw/zinc/13/91/98/178139198.db2.gz ATOBVTSCYUTYLA-UHFFFAOYSA-N 1 2 246.274 0.872 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290017 192027578 /nfs/dbraw/zinc/02/75/78/192027578.db2.gz DDOKRFUDCPAHLY-IUCAKERBSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290017 192027579 /nfs/dbraw/zinc/02/75/79/192027579.db2.gz DDOKRFUDCPAHLY-IUCAKERBSA-N 1 2 222.292 0.730 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)on1 ZINC000351815706 178132242 /nfs/dbraw/zinc/13/22/42/178132242.db2.gz WVUFYDHKILUSRC-VXNVDRBHSA-N 1 2 239.275 0.234 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)on1 ZINC000351815706 178132244 /nfs/dbraw/zinc/13/22/44/178132244.db2.gz WVUFYDHKILUSRC-VXNVDRBHSA-N 1 2 239.275 0.234 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000331801469 187327595 /nfs/dbraw/zinc/32/75/95/187327595.db2.gz BRXZCGVMTBLPEH-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000331801469 187327597 /nfs/dbraw/zinc/32/75/97/187327597.db2.gz BRXZCGVMTBLPEH-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO COc1ccc[nH+]c1N[C@H](C)CC(N)=O ZINC000162967928 538925868 /nfs/dbraw/zinc/92/58/68/538925868.db2.gz WYACIYSZWWKBJG-SSDOTTSWSA-N 1 2 209.249 0.766 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000179829603 178140189 /nfs/dbraw/zinc/14/01/89/178140189.db2.gz WBRRUEIARFANFM-SNVBAGLBSA-N 1 2 248.286 0.742 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](C)C(N)=O)cc[nH+]1 ZINC000179802512 178140491 /nfs/dbraw/zinc/14/04/91/178140491.db2.gz JHRPVHGRSRFJTM-ZETCQYMHSA-N 1 2 222.248 0.385 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC000074695686 178143787 /nfs/dbraw/zinc/14/37/87/178143787.db2.gz SDOUYHCFSSQRGQ-VIFPVBQESA-N 1 2 219.244 0.607 20 0 BCADLO Cc1cc(NC[C@@H](O)c2cnn(C)c2)nc[nH+]1 ZINC000301405533 178165808 /nfs/dbraw/zinc/16/58/08/178165808.db2.gz GJIYZDIFHLQTTA-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)C ZINC000336767376 136221318 /nfs/dbraw/zinc/22/13/18/136221318.db2.gz SZHWPVDLKAVIBQ-JGVFFNPUSA-N 1 2 211.265 0.802 20 0 BCADLO Cc1cc(NCCN2C(=O)CCC2=O)nc[nH+]1 ZINC000301246718 178161092 /nfs/dbraw/zinc/16/10/92/178161092.db2.gz BOTUABIFDDKYSW-UHFFFAOYSA-N 1 2 234.259 0.346 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCOC1)c1ncn(C)n1 ZINC000336758025 398212716 /nfs/dbraw/zinc/21/27/16/398212716.db2.gz KHAHHUDOGNCTNB-IUCAKERBSA-N 1 2 210.281 0.645 20 0 BCADLO Cc1cc(NC[C@@]2(CCO)CCOC2)nc[nH+]1 ZINC000131650035 178166427 /nfs/dbraw/zinc/16/64/27/178166427.db2.gz NSZGIGKICXMJCS-GFCCVEGCSA-N 1 2 237.303 0.986 20 0 BCADLO Cc1cc(NC[C@]2(CCO)CCOC2)nc[nH+]1 ZINC000131649820 178170398 /nfs/dbraw/zinc/17/03/98/178170398.db2.gz NSZGIGKICXMJCS-LBPRGKRZSA-N 1 2 237.303 0.986 20 0 BCADLO CC(C)CS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000264026114 187331529 /nfs/dbraw/zinc/33/15/29/187331529.db2.gz YIPVKEZBRVYYSQ-UHFFFAOYSA-N 1 2 245.348 0.838 20 0 BCADLO Cc1cc(N[C@H](C)C(=O)N(C)C)nc[nH+]1 ZINC000042571927 178184602 /nfs/dbraw/zinc/18/46/02/178184602.db2.gz AXPOZCODCXCQOQ-MRVPVSSYSA-N 1 2 208.265 0.674 20 0 BCADLO Cc1cc(N[C@H]2CCc3nnnn3CC2)nc[nH+]1 ZINC000333637750 178190328 /nfs/dbraw/zinc/19/03/28/178190328.db2.gz BREABPFOLIKGHC-VIFPVBQESA-N 1 2 245.290 0.589 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421359925 192332682 /nfs/dbraw/zinc/33/26/82/192332682.db2.gz HNPQPSRHTDRVJD-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421359925 192332685 /nfs/dbraw/zinc/33/26/85/192332685.db2.gz HNPQPSRHTDRVJD-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO CC[C@H](COC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276586441 538933125 /nfs/dbraw/zinc/93/31/25/538933125.db2.gz MJULRYRYJRNKRE-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](COC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276586441 538933127 /nfs/dbraw/zinc/93/31/27/538933127.db2.gz MJULRYRYJRNKRE-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276513207 538933278 /nfs/dbraw/zinc/93/32/78/538933278.db2.gz BNCKYJKZEMDIDR-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276513207 538933279 /nfs/dbraw/zinc/93/32/79/538933279.db2.gz BNCKYJKZEMDIDR-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CCOC(=O)C[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000602440249 349526471 /nfs/dbraw/zinc/52/64/71/349526471.db2.gz GTTQZFRVMGIGJS-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO CCOC(=O)C[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000602440249 349526474 /nfs/dbraw/zinc/52/64/74/349526474.db2.gz GTTQZFRVMGIGJS-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@]1(OC)CCOC1 ZINC000602439513 349526628 /nfs/dbraw/zinc/52/66/28/349526628.db2.gz DCMOBWCIAMZCJU-NSHDSACASA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@]1(OC)CCOC1 ZINC000602439513 349526629 /nfs/dbraw/zinc/52/66/29/349526629.db2.gz DCMOBWCIAMZCJU-NSHDSACASA-N 1 2 231.292 0.287 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCCC1 ZINC000061783689 398235818 /nfs/dbraw/zinc/23/58/18/398235818.db2.gz HNYKXMUJTXBWFI-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCCC1 ZINC000061783689 398235820 /nfs/dbraw/zinc/23/58/20/398235820.db2.gz HNYKXMUJTXBWFI-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602437427 349524489 /nfs/dbraw/zinc/52/44/89/349524489.db2.gz XEZPGAMWCFOKPF-SNVBAGLBSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000602437427 349524492 /nfs/dbraw/zinc/52/44/92/349524492.db2.gz XEZPGAMWCFOKPF-SNVBAGLBSA-N 1 2 236.271 0.925 20 0 BCADLO CC[C@H](C)[C@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000381183479 398233309 /nfs/dbraw/zinc/23/33/09/398233309.db2.gz RPZDNMSUCUAXJX-CBAPKCEASA-N 1 2 239.323 0.487 20 0 BCADLO CC[C@H](C)[C@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000381183479 398233312 /nfs/dbraw/zinc/23/33/12/398233312.db2.gz RPZDNMSUCUAXJX-CBAPKCEASA-N 1 2 239.323 0.487 20 0 BCADLO CCOC(=O)c1ccc(C[N@H+](C)CC(N)=O)[nH]1 ZINC000602441610 349527611 /nfs/dbraw/zinc/52/76/11/349527611.db2.gz OMWRDZDEYWZGIG-UHFFFAOYSA-N 1 2 239.275 0.109 20 0 BCADLO CCOC(=O)c1ccc(C[N@@H+](C)CC(N)=O)[nH]1 ZINC000602441610 349527613 /nfs/dbraw/zinc/52/76/13/349527613.db2.gz OMWRDZDEYWZGIG-UHFFFAOYSA-N 1 2 239.275 0.109 20 0 BCADLO CC[C@@H](C)[C@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000381272443 398249777 /nfs/dbraw/zinc/24/97/77/398249777.db2.gz IEYOTFFNAGXDRE-BDAKNGLRSA-N 1 2 227.312 0.361 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000287318020 538944287 /nfs/dbraw/zinc/94/42/87/538944287.db2.gz FHMVAVJDTZRHBT-BDAKNGLRSA-N 1 2 224.308 0.927 20 0 BCADLO CC(C)CS(=O)(=O)NCc1c[nH+]cn1C ZINC000290161753 538945967 /nfs/dbraw/zinc/94/59/67/538945967.db2.gz JPFHKHMPKSIJIJ-UHFFFAOYSA-N 1 2 231.321 0.496 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CCCCF ZINC000290244883 538945976 /nfs/dbraw/zinc/94/59/76/538945976.db2.gz QUEKPDGKMJTTID-UHFFFAOYSA-N 1 2 249.311 0.589 20 0 BCADLO COCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000290981924 538947045 /nfs/dbraw/zinc/94/70/45/538947045.db2.gz AAUFLHBXTXKOKJ-UHFFFAOYSA-N 1 2 225.292 0.709 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CCCO1 ZINC000291261265 538947271 /nfs/dbraw/zinc/94/72/71/538947271.db2.gz PONZDMDTHIPACV-JTQLQIEISA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1CC(=O)C1 ZINC000291320252 538947346 /nfs/dbraw/zinc/94/73/46/538947346.db2.gz UQUAQHZPKXPVRX-UHFFFAOYSA-N 1 2 207.233 0.015 20 0 BCADLO CC[C@]1(C)NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000291267952 538947353 /nfs/dbraw/zinc/94/73/53/538947353.db2.gz ZOKDGFAZFDZIQW-NSHDSACASA-N 1 2 236.275 0.641 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH+]cn2C)[nH]n1 ZINC000291384507 538947441 /nfs/dbraw/zinc/94/74/41/538947441.db2.gz HGNMFAFCECXZAL-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(O)cc1 ZINC000168600543 538945364 /nfs/dbraw/zinc/94/53/64/538945364.db2.gz WVXBXGYECNYQKX-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(O)cc1 ZINC000168600543 538945366 /nfs/dbraw/zinc/94/53/66/538945366.db2.gz WVXBXGYECNYQKX-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO CC[C@](C)(C[NH+]1CCS(=O)CC1)OC ZINC000602462886 349557560 /nfs/dbraw/zinc/55/75/60/349557560.db2.gz DMUBQBULPUMECE-SNVBAGLBSA-N 1 2 219.350 0.866 20 0 BCADLO CC(C)c1nc(N(CCO)CCO)cc[nH+]1 ZINC000176734232 538950528 /nfs/dbraw/zinc/95/05/28/538950528.db2.gz QLLDZTFHDGOFFJ-UHFFFAOYSA-N 1 2 225.292 0.391 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncn2C)CCS1 ZINC000171686287 346833104 /nfs/dbraw/zinc/83/31/04/346833104.db2.gz JDACSDVNGDSUNT-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncn2C)CCS1 ZINC000171686287 346833107 /nfs/dbraw/zinc/83/31/07/346833107.db2.gz JDACSDVNGDSUNT-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO CCC[C@](C)([NH2+]CCOC)C(=O)OC ZINC000053258270 346849056 /nfs/dbraw/zinc/84/90/56/346849056.db2.gz GAMHYACWBXGBES-JTQLQIEISA-N 1 2 203.282 0.954 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCOC)C(=O)OC ZINC000053258560 346850133 /nfs/dbraw/zinc/85/01/33/346850133.db2.gz FDIYAMUYADBOAP-RKDXNWHRSA-N 1 2 203.282 0.810 20 0 BCADLO CCCC[C@@H]([NH2+]CCOC)C(=O)OC ZINC000053258554 346850528 /nfs/dbraw/zinc/85/05/28/346850528.db2.gz AFPBXGBEQNCTRZ-SECBINFHSA-N 1 2 203.282 0.954 20 0 BCADLO CCCC[C@H]([NH2+]CCOC)C(=O)OC ZINC000053258552 346850593 /nfs/dbraw/zinc/85/05/93/346850593.db2.gz AFPBXGBEQNCTRZ-VIFPVBQESA-N 1 2 203.282 0.954 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)CCF ZINC000649478236 398274568 /nfs/dbraw/zinc/27/45/68/398274568.db2.gz ZEWWKCGGMCGASJ-SSDOTTSWSA-N 1 2 239.254 0.496 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000616340031 342717899 /nfs/dbraw/zinc/71/78/99/342717899.db2.gz ZOTUXNRBRPIOKW-BREBYQMCSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H]1C[N@H+](CC2=CCCOC2)CC[S@@]1=O ZINC000335108850 398277781 /nfs/dbraw/zinc/27/77/81/398277781.db2.gz DQLJDTQFVLONNG-BONVTDFDSA-N 1 2 229.345 0.786 20 0 BCADLO C[C@H]1C[N@@H+](CC2=CCCOC2)CC[S@@]1=O ZINC000335108850 398277784 /nfs/dbraw/zinc/27/77/84/398277784.db2.gz DQLJDTQFVLONNG-BONVTDFDSA-N 1 2 229.345 0.786 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000044590237 342690668 /nfs/dbraw/zinc/69/06/68/342690668.db2.gz VJXOBGSXKFKPQY-SNVBAGLBSA-N 1 2 223.276 0.866 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000044590237 342690669 /nfs/dbraw/zinc/69/06/69/342690669.db2.gz VJXOBGSXKFKPQY-SNVBAGLBSA-N 1 2 223.276 0.866 20 0 BCADLO COC(=O)[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000600153610 342691828 /nfs/dbraw/zinc/69/18/28/342691828.db2.gz NURKQIGNRWRPCL-MRVPVSSYSA-N 1 2 211.265 0.678 20 0 BCADLO COC(=O)C1(C)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000600167238 342694488 /nfs/dbraw/zinc/69/44/88/342694488.db2.gz QNAPXJLWGWHBPE-UHFFFAOYSA-N 1 2 223.276 0.713 20 0 BCADLO CCc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cnn1C ZINC000600224016 342713980 /nfs/dbraw/zinc/71/39/80/342713980.db2.gz GXMGIDVNRFOAFV-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCc1cn[nH]c1 ZINC000629997341 361883157 /nfs/dbraw/zinc/88/31/57/361883157.db2.gz SRCIZDSMPLHVQB-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO C[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000225189328 398282882 /nfs/dbraw/zinc/28/28/82/398282882.db2.gz AHHNDFARAHVMFK-NSHDSACASA-N 1 2 223.276 0.257 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)[C@@H](C)C1 ZINC000336273429 342796961 /nfs/dbraw/zinc/79/69/61/342796961.db2.gz MFBOQRGSTZRXPG-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2(C)CC2)[C@@H](C)C1 ZINC000336273429 342796962 /nfs/dbraw/zinc/79/69/62/342796962.db2.gz MFBOQRGSTZRXPG-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000188340901 538978245 /nfs/dbraw/zinc/97/82/45/538978245.db2.gz GGCSEDBODQAMGY-CMPLNLGQSA-N 1 2 237.303 0.712 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000188340901 538978246 /nfs/dbraw/zinc/97/82/46/538978246.db2.gz GGCSEDBODQAMGY-CMPLNLGQSA-N 1 2 237.303 0.712 20 0 BCADLO CC[C@H](COC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493331772 529393175 /nfs/dbraw/zinc/39/31/75/529393175.db2.gz ZXOKZSYEGWZDPB-XNPJLODASA-N 1 2 223.276 0.964 20 0 BCADLO CCC(CC)[NH2+][C@H](COC)C(=O)OC ZINC000308533588 168392757 /nfs/dbraw/zinc/39/27/57/168392757.db2.gz SCAKSFRUFBRLIT-SECBINFHSA-N 1 2 203.282 0.953 20 0 BCADLO Cc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000624685215 342819482 /nfs/dbraw/zinc/81/94/82/342819482.db2.gz ZJOHSFXTTHPILZ-DTORHVGOSA-N 1 2 220.276 0.485 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCOC[C@H]2O)[nH+]1 ZINC000624688867 342820345 /nfs/dbraw/zinc/82/03/45/342820345.db2.gz WIIPWCMGRQMINM-NXEZZACHSA-N 1 2 248.286 0.828 20 0 BCADLO CC[C@@H]1CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624732313 342823546 /nfs/dbraw/zinc/82/35/46/342823546.db2.gz OSNFXOMDSXTTFV-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@@H]1CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732313 342823547 /nfs/dbraw/zinc/82/35/47/342823547.db2.gz OSNFXOMDSXTTFV-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@H]1CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624732324 342823604 /nfs/dbraw/zinc/82/36/04/342823604.db2.gz OSNFXOMDSXTTFV-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@H]1CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732324 342823605 /nfs/dbraw/zinc/82/36/05/342823605.db2.gz OSNFXOMDSXTTFV-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO Cn1nnnc1CCNc1cccc[nH+]1 ZINC000380172976 538986991 /nfs/dbraw/zinc/98/69/91/538986991.db2.gz IMQQEYSCIFTHHG-UHFFFAOYSA-N 1 2 204.237 0.260 20 0 BCADLO O=C1CCC[C@@H](C[NH2+]Cc2csnn2)N1 ZINC000380315478 538989054 /nfs/dbraw/zinc/98/90/54/538989054.db2.gz IRYJAABYMLFTQE-ZETCQYMHSA-N 1 2 226.305 0.296 20 0 BCADLO Cc1c[nH]nc1CN[C@H]1CCC[N@H+](C)C1 ZINC000380357223 538989484 /nfs/dbraw/zinc/98/94/84/538989484.db2.gz XCVAKBXGNUZYBM-JTQLQIEISA-N 1 2 208.309 0.902 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000634413581 361931079 /nfs/dbraw/zinc/93/10/79/361931079.db2.gz RUIOUIRKASRESH-USWWRNFRSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]1O ZINC000634415442 361935738 /nfs/dbraw/zinc/93/57/38/361935738.db2.gz TVZDODCRKNCTQZ-MIMYLULJSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]1O ZINC000634415442 361935744 /nfs/dbraw/zinc/93/57/44/361935744.db2.gz TVZDODCRKNCTQZ-MIMYLULJSA-N 1 2 237.303 0.618 20 0 BCADLO COCc1cnc(C[N@H+](C)CCC(N)=O)s1 ZINC000348848331 136242151 /nfs/dbraw/zinc/24/21/51/136242151.db2.gz NITJAZVTJYTESR-UHFFFAOYSA-N 1 2 243.332 0.597 20 0 BCADLO COCc1cnc(C[N@@H+](C)CCC(N)=O)s1 ZINC000348848331 136242152 /nfs/dbraw/zinc/24/21/52/136242152.db2.gz NITJAZVTJYTESR-UHFFFAOYSA-N 1 2 243.332 0.597 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000387718354 539014057 /nfs/dbraw/zinc/01/40/57/539014057.db2.gz AEFWRBXVAKVBTI-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000387718354 539014058 /nfs/dbraw/zinc/01/40/58/539014058.db2.gz AEFWRBXVAKVBTI-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388028929 539014482 /nfs/dbraw/zinc/01/44/82/539014482.db2.gz KOBVJUXUCRXWCB-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388028929 539014484 /nfs/dbraw/zinc/01/44/84/539014484.db2.gz KOBVJUXUCRXWCB-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC(=O)NC1 ZINC000348845125 136241940 /nfs/dbraw/zinc/24/19/40/136241940.db2.gz ULEZJTNKIYIMNQ-SECBINFHSA-N 1 2 248.286 0.212 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC(=O)NC1 ZINC000348845126 136242004 /nfs/dbraw/zinc/24/20/04/136242004.db2.gz ULEZJTNKIYIMNQ-VIFPVBQESA-N 1 2 248.286 0.212 20 0 BCADLO COC(C)(C)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640753905 361991008 /nfs/dbraw/zinc/99/10/08/361991008.db2.gz CEYPMXVNCMEUNZ-UHFFFAOYSA-N 1 2 221.264 0.931 20 0 BCADLO CC(C)(C)[C@H](O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754862 361992214 /nfs/dbraw/zinc/99/22/14/361992214.db2.gz QJGFHQINSHDMHN-SNVBAGLBSA-N 1 2 249.318 0.999 20 0 BCADLO OCCCCCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754847 361992624 /nfs/dbraw/zinc/99/26/24/361992624.db2.gz PKYFRXIOWVULRH-UHFFFAOYSA-N 1 2 235.291 0.755 20 0 BCADLO COCC[N@H+](CCO)Cc1cc2n(n1)CCC2 ZINC000649506359 398302334 /nfs/dbraw/zinc/30/23/34/398302334.db2.gz LPVVLAMYFBPFMC-UHFFFAOYSA-N 1 2 239.319 0.270 20 0 BCADLO COCC[N@@H+](CCO)Cc1cc2n(n1)CCC2 ZINC000649506359 398302337 /nfs/dbraw/zinc/30/23/37/398302337.db2.gz LPVVLAMYFBPFMC-UHFFFAOYSA-N 1 2 239.319 0.270 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCCN(C)C2=O)c[nH+]1 ZINC000335646147 136243912 /nfs/dbraw/zinc/24/39/12/136243912.db2.gz ZKCHZLKKNWSXIY-QMMMGPOBSA-N 1 2 236.275 0.069 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735601 398305878 /nfs/dbraw/zinc/30/58/78/398305878.db2.gz ZKJIHGJCNURQIN-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO Cc1ccoc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735601 398305879 /nfs/dbraw/zinc/30/58/79/398305879.db2.gz ZKJIHGJCNURQIN-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO Cc1cc(NC(=O)NC(C)(CO)CO)cc[nH+]1 ZINC000092822850 398306696 /nfs/dbraw/zinc/30/66/96/398306696.db2.gz NVVAUMSOOLRSGD-UHFFFAOYSA-N 1 2 239.275 0.255 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000351347345 136244763 /nfs/dbraw/zinc/24/47/63/136244763.db2.gz BHZKRKTYDRGUSN-UHFFFAOYSA-N 1 2 246.270 0.221 20 0 BCADLO C[N@H+](Cc1ccon1)C1(C(N)=O)CCCC1 ZINC000093211996 398309293 /nfs/dbraw/zinc/30/92/93/398309293.db2.gz BGDNRNDUMHYTII-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO C[N@@H+](Cc1ccon1)C1(C(N)=O)CCCC1 ZINC000093211996 398309294 /nfs/dbraw/zinc/30/92/94/398309294.db2.gz BGDNRNDUMHYTII-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)CC(=O)NC(C)(C)C ZINC000015367851 342895392 /nfs/dbraw/zinc/89/53/92/342895392.db2.gz SCNOAHGXRAFDDI-UHFFFAOYSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)CC(=O)NC(C)(C)C ZINC000015367851 342895394 /nfs/dbraw/zinc/89/53/94/342895394.db2.gz SCNOAHGXRAFDDI-UHFFFAOYSA-N 1 2 241.335 0.112 20 0 BCADLO Cn1cc[nH+]c1CN1CC[S@](=O)CC1(C)C ZINC000336343259 398318047 /nfs/dbraw/zinc/31/80/47/398318047.db2.gz RJXOZCAMHWECBJ-INIZCTEOSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOC1CCOCC1 ZINC000625130089 342882036 /nfs/dbraw/zinc/88/20/36/342882036.db2.gz DMPLSEHWJQQKGQ-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC1CCOCC1 ZINC000625130089 342882038 /nfs/dbraw/zinc/88/20/38/342882038.db2.gz DMPLSEHWJQQKGQ-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](O)C2)no1 ZINC000351381417 136245625 /nfs/dbraw/zinc/24/56/25/136245625.db2.gz FNLQTDABGZWVAF-CBAPKCEASA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](O)C2)no1 ZINC000351381417 136245626 /nfs/dbraw/zinc/24/56/26/136245626.db2.gz FNLQTDABGZWVAF-CBAPKCEASA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)no1 ZINC000351381416 136245815 /nfs/dbraw/zinc/24/58/15/136245815.db2.gz FNLQTDABGZWVAF-APPZFPTMSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](O)C2)no1 ZINC000351381416 136245816 /nfs/dbraw/zinc/24/58/16/136245816.db2.gz FNLQTDABGZWVAF-APPZFPTMSA-N 1 2 211.265 0.896 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H](CO)C1 ZINC000331888086 398313246 /nfs/dbraw/zinc/31/32/46/398313246.db2.gz WRPUOOKTXBLNMV-JTQLQIEISA-N 1 2 245.282 0.789 20 0 BCADLO Cc1nnc(C[N@H+](C)CCCn2cc[nH+]c2)n1C ZINC000162305539 349634033 /nfs/dbraw/zinc/63/40/33/349634033.db2.gz UGCABRMBMRAULT-UHFFFAOYSA-N 1 2 248.334 0.842 20 0 BCADLO Cc1nnc(CN(C)CCCn2cc[nH+]c2)n1C ZINC000162305539 349634039 /nfs/dbraw/zinc/63/40/39/349634039.db2.gz UGCABRMBMRAULT-UHFFFAOYSA-N 1 2 248.334 0.842 20 0 BCADLO C[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000035606915 342889947 /nfs/dbraw/zinc/88/99/47/342889947.db2.gz WBHJAERHKOXOLU-ZCFIWIBFSA-N 1 2 207.237 0.156 20 0 BCADLO CC[C@@H](C)[C@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000351515472 136246403 /nfs/dbraw/zinc/24/64/03/136246403.db2.gz SUTQCBUBQSTGNJ-MNOVXSKESA-N 1 2 228.336 0.822 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351572191 136246897 /nfs/dbraw/zinc/24/68/97/136246897.db2.gz CGLKLMOGTXMTTN-ZKWXMUAHSA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351572191 136246898 /nfs/dbraw/zinc/24/68/98/136246898.db2.gz CGLKLMOGTXMTTN-ZKWXMUAHSA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351572189 136247021 /nfs/dbraw/zinc/24/70/21/136247021.db2.gz CGLKLMOGTXMTTN-BKPPORCPSA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351572189 136247022 /nfs/dbraw/zinc/24/70/22/136247022.db2.gz CGLKLMOGTXMTTN-BKPPORCPSA-N 1 2 211.265 0.752 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000037187541 342925279 /nfs/dbraw/zinc/92/52/79/342925279.db2.gz PXCIRGBRSYDCRK-BDAKNGLRSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)(C)OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351599765 136247299 /nfs/dbraw/zinc/24/72/99/136247299.db2.gz XOJVYPGDVGLMKP-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO CC(C)(C)OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351599765 136247300 /nfs/dbraw/zinc/24/73/00/136247300.db2.gz XOJVYPGDVGLMKP-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233902968 342916362 /nfs/dbraw/zinc/91/63/62/342916362.db2.gz UZNMFLBBWCYIKG-BDAKNGLRSA-N 1 2 201.266 0.299 20 0 BCADLO C[N@@H+](Cc1cnns1)C[C@@H](O)C1CC1 ZINC000625221332 342918337 /nfs/dbraw/zinc/91/83/37/342918337.db2.gz LGKZEWLXRLUKEA-SECBINFHSA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1cnns1)C[C@@H](O)C1CC1 ZINC000625221332 342918338 /nfs/dbraw/zinc/91/83/38/342918338.db2.gz LGKZEWLXRLUKEA-SECBINFHSA-N 1 2 213.306 0.741 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000625218920 342918673 /nfs/dbraw/zinc/91/86/73/342918673.db2.gz RLHZJGIASDIVRX-MRVPVSSYSA-N 1 2 245.373 0.838 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1cnns1 ZINC000625218920 342918675 /nfs/dbraw/zinc/91/86/75/342918675.db2.gz RLHZJGIASDIVRX-MRVPVSSYSA-N 1 2 245.373 0.838 20 0 BCADLO CCn1ncnc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000234236122 342919158 /nfs/dbraw/zinc/91/91/58/342919158.db2.gz GXZXOGDZKIJCIJ-LURJTMIESA-N 1 2 238.213 0.311 20 0 BCADLO CC[C@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492820268 529433866 /nfs/dbraw/zinc/43/38/66/529433866.db2.gz AVZQZDIMLREVSI-MVZIDQBPSA-N 1 2 235.287 0.796 20 0 BCADLO COC[C@H]([NH2+]CC1(COC)CCC1)C(=O)OC ZINC000602631317 349648210 /nfs/dbraw/zinc/64/82/10/349648210.db2.gz CIMDRGCYNLMDIX-JTQLQIEISA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000152014238 398327153 /nfs/dbraw/zinc/32/71/53/398327153.db2.gz HIZQEOCMDHWXOR-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000152014238 398327155 /nfs/dbraw/zinc/32/71/55/398327155.db2.gz HIZQEOCMDHWXOR-LLVKDONJSA-N 1 2 239.271 0.962 20 0 BCADLO C[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnnn1C ZINC000351627551 136248733 /nfs/dbraw/zinc/24/87/33/136248733.db2.gz GREBOKXYKZVSIC-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1COC(C)(C)C[N@H+]1Cc1cnnn1C ZINC000351627551 136248734 /nfs/dbraw/zinc/24/87/34/136248734.db2.gz GREBOKXYKZVSIC-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccon1 ZINC000351653214 136249475 /nfs/dbraw/zinc/24/94/75/136249475.db2.gz VBVMDYGYQNNPQX-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccon1 ZINC000351653214 136249476 /nfs/dbraw/zinc/24/94/76/136249476.db2.gz VBVMDYGYQNNPQX-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000602644413 349656620 /nfs/dbraw/zinc/65/66/20/349656620.db2.gz XNTWZDQYFNNCBV-QMMMGPOBSA-N 1 2 248.286 0.903 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000602644413 349656622 /nfs/dbraw/zinc/65/66/22/349656622.db2.gz XNTWZDQYFNNCBV-QMMMGPOBSA-N 1 2 248.286 0.903 20 0 BCADLO C[NH+](C)CCn1[nH]c2c(c1=O)CSCC2 ZINC000634590211 342936721 /nfs/dbraw/zinc/93/67/21/342936721.db2.gz SOWHNDDGLXHHNM-QMMMGPOBSA-N 1 2 227.333 0.499 20 0 BCADLO Cc1nc(NCCc2cscn2)nc(N)[nH+]1 ZINC000304456637 398336418 /nfs/dbraw/zinc/33/64/18/398336418.db2.gz LKDSBUAAKSIMNX-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO Cc1nc(N)nc(NCCc2cscn2)[nH+]1 ZINC000304456637 398336419 /nfs/dbraw/zinc/33/64/19/398336419.db2.gz LKDSBUAAKSIMNX-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OC ZINC000493331323 529456840 /nfs/dbraw/zinc/45/68/40/529456840.db2.gz ZIGBVIQAOHXWQW-ZJELKQJVSA-N 1 2 237.259 0.491 20 0 BCADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000493248103 529457840 /nfs/dbraw/zinc/45/78/40/529457840.db2.gz FEAQGGKJSRAXDR-WBSSQXGSSA-N 1 2 237.259 0.491 20 0 BCADLO COC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000355122507 398331351 /nfs/dbraw/zinc/33/13/51/398331351.db2.gz MHOBCZSSGRXQAX-VWYCJHECSA-N 1 2 245.319 0.579 20 0 BCADLO COCc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000355197726 398331901 /nfs/dbraw/zinc/33/19/01/398331901.db2.gz MGXJDOIAYKPVHG-LLVKDONJSA-N 1 2 238.287 0.746 20 0 BCADLO COCc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000355197726 398331902 /nfs/dbraw/zinc/33/19/02/398331902.db2.gz MGXJDOIAYKPVHG-LLVKDONJSA-N 1 2 238.287 0.746 20 0 BCADLO C[NH+](C)CCN1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634589866 342937170 /nfs/dbraw/zinc/93/71/70/342937170.db2.gz KFKVBZJXMRKIIC-LBPRGKRZSA-N 1 2 243.310 0.967 20 0 BCADLO C[C@H]1CC[C@H]2C(=O)N(CC[NH+](C)C)N=C21 ZINC000634590375 342937650 /nfs/dbraw/zinc/93/76/50/342937650.db2.gz XMOPNRODNLBXLA-DTWKUNHWSA-N 1 2 209.293 0.792 20 0 BCADLO C[C@H]1CCc2c(=O)n(CC[NH+](C)C)[nH]c21 ZINC000634590375 342937652 /nfs/dbraw/zinc/93/76/52/342937652.db2.gz XMOPNRODNLBXLA-DTWKUNHWSA-N 1 2 209.293 0.792 20 0 BCADLO CC[C@@H](CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493720026 529468009 /nfs/dbraw/zinc/46/80/09/529468009.db2.gz PRKSQBIPBGUYLR-NWALNABHSA-N 1 2 223.276 0.700 20 0 BCADLO CONC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045862964 342946951 /nfs/dbraw/zinc/94/69/51/342946951.db2.gz UMXIXWJGFFMJDS-UHFFFAOYSA-N 1 2 234.259 0.737 20 0 BCADLO COc1c(N)[nH+]cnc1NCCOCC(F)F ZINC000234787185 342942398 /nfs/dbraw/zinc/94/23/98/342942398.db2.gz YOEXFRJUGDGYCL-UHFFFAOYSA-N 1 2 248.233 0.761 20 0 BCADLO COc1c(N)nc[nH+]c1NCCOCC(F)F ZINC000234787185 342942400 /nfs/dbraw/zinc/94/24/00/342942400.db2.gz YOEXFRJUGDGYCL-UHFFFAOYSA-N 1 2 248.233 0.761 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](O)C(F)F ZINC000234787737 342942416 /nfs/dbraw/zinc/94/24/16/342942416.db2.gz KKQJHPYRKRICSZ-SCSAIBSYSA-N 1 2 234.206 0.105 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](O)C(F)F ZINC000234787737 342942417 /nfs/dbraw/zinc/94/24/17/342942417.db2.gz KKQJHPYRKRICSZ-SCSAIBSYSA-N 1 2 234.206 0.105 20 0 BCADLO COc1c(N)[nH+]cnc1NCCOCC1CC1 ZINC000234787256 342942507 /nfs/dbraw/zinc/94/25/07/342942507.db2.gz FZYVHBYBZGDAPC-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NCCOCC1CC1 ZINC000234787256 342942508 /nfs/dbraw/zinc/94/25/08/342942508.db2.gz FZYVHBYBZGDAPC-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602679093 349671872 /nfs/dbraw/zinc/67/18/72/349671872.db2.gz AWRJLLCEYQIFGX-VHSXEESVSA-N 1 2 242.319 0.585 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000359987959 398343839 /nfs/dbraw/zinc/34/38/39/398343839.db2.gz WYNDPJYHXFCLKU-WDEREUQCSA-N 1 2 239.319 0.918 20 0 BCADLO C[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000146200834 398344497 /nfs/dbraw/zinc/34/44/97/398344497.db2.gz LQHZNJUGYZFATI-LLVKDONJSA-N 1 2 214.309 0.039 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000308697780 346898498 /nfs/dbraw/zinc/89/84/98/346898498.db2.gz UFOSCOAEGNVTLL-DJLDLDEBSA-N 1 2 201.266 0.705 20 0 BCADLO CCc1cnc(C[N@H+](CCO)CCCO)o1 ZINC000075720407 344016423 /nfs/dbraw/zinc/01/64/23/344016423.db2.gz XSIGYMZWMMUICV-UHFFFAOYSA-N 1 2 228.292 0.414 20 0 BCADLO CCc1cnc(C[N@@H+](CCO)CCCO)o1 ZINC000075720407 344016425 /nfs/dbraw/zinc/01/64/25/344016425.db2.gz XSIGYMZWMMUICV-UHFFFAOYSA-N 1 2 228.292 0.414 20 0 BCADLO COC(=O)c1cc(C[NH2+][C@H](C)CF)on1 ZINC000602662547 349682034 /nfs/dbraw/zinc/68/20/34/349682034.db2.gz OXUUYVIVMIOMLZ-ZCFIWIBFSA-N 1 2 216.212 0.909 20 0 BCADLO Cn1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000627369248 346899408 /nfs/dbraw/zinc/89/94/08/346899408.db2.gz OWAFIQZGWRTWTE-UHFFFAOYSA-N 1 2 230.271 0.947 20 0 BCADLO Cn1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000627369248 346899409 /nfs/dbraw/zinc/89/94/09/346899409.db2.gz OWAFIQZGWRTWTE-UHFFFAOYSA-N 1 2 230.271 0.947 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)n1 ZINC000351780780 136254241 /nfs/dbraw/zinc/25/42/41/136254241.db2.gz MRYWJHFJSVIZBN-JOYOIKCWSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)n1 ZINC000351780780 136254242 /nfs/dbraw/zinc/25/42/42/136254242.db2.gz MRYWJHFJSVIZBN-JOYOIKCWSA-N 1 2 237.303 0.367 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000354199258 187210040 /nfs/dbraw/zinc/21/00/40/187210040.db2.gz OGAXUWAXQGIBDA-TYRPZCRBSA-N 1 2 223.276 0.775 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000493569600 529555892 /nfs/dbraw/zinc/55/58/92/529555892.db2.gz UUARHKXPTKSHNU-NQWIXEMTSA-N 1 2 249.314 0.946 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCCCCO ZINC000493597598 529558433 /nfs/dbraw/zinc/55/84/33/529558433.db2.gz YXDZDSYARIAIRV-WAYWQWQTSA-N 1 2 237.303 0.805 20 0 BCADLO COC(=O)c1[nH]c(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000602716702 349707144 /nfs/dbraw/zinc/70/71/44/349707144.db2.gz WZQVKCKXMMHROD-UHFFFAOYSA-N 1 2 249.274 0.518 20 0 BCADLO COCc1cc(N2CCCC[NH2+]2)n2ncnc2n1 ZINC000329750509 536724484 /nfs/dbraw/zinc/72/44/84/536724484.db2.gz IEVVEOUDKZQTHA-UHFFFAOYSA-N 1 2 248.290 0.376 20 0 BCADLO COCc1cc(-n2cc[nH+]c2)n2ncnc2n1 ZINC000355550123 187211453 /nfs/dbraw/zinc/21/14/53/187211453.db2.gz VIYCEDRROVHDAB-UHFFFAOYSA-N 1 2 230.231 0.456 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516935807 259336625 /nfs/dbraw/zinc/33/66/25/259336625.db2.gz KBFDUGWLVRJHQN-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516935807 259336627 /nfs/dbraw/zinc/33/66/27/259336627.db2.gz KBFDUGWLVRJHQN-KOLCDFICSA-N 1 2 239.319 0.866 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@H](C)CO ZINC000493653662 529549419 /nfs/dbraw/zinc/54/94/19/529549419.db2.gz ZAGCTJHVAVZMMA-BRAIEQGRSA-N 1 2 237.303 0.755 20 0 BCADLO CCNC(=O)C[N@H+](CC)CCN(C#N)CC ZINC000602766498 349722645 /nfs/dbraw/zinc/72/26/45/349722645.db2.gz MATNHTCWZRPVHX-UHFFFAOYSA-N 1 2 226.324 0.247 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CCN(C#N)CC ZINC000602766498 349722647 /nfs/dbraw/zinc/72/26/47/349722647.db2.gz MATNHTCWZRPVHX-UHFFFAOYSA-N 1 2 226.324 0.247 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602766495 349722876 /nfs/dbraw/zinc/72/28/76/349722876.db2.gz LZWWYOAFTMJMBQ-JQWIXIFHSA-N 1 2 245.319 0.003 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602766495 349722879 /nfs/dbraw/zinc/72/28/79/349722879.db2.gz LZWWYOAFTMJMBQ-JQWIXIFHSA-N 1 2 245.319 0.003 20 0 BCADLO C(c1nnc2n1CCCC2)[N@@H+]1CCCOCC1 ZINC000356907050 187213593 /nfs/dbraw/zinc/21/35/93/187213593.db2.gz FOYACMQTPJZEIZ-UHFFFAOYSA-N 1 2 236.319 0.837 20 0 BCADLO C(c1nnc2n1CCCC2)[N@H+]1CCCOCC1 ZINC000356907050 187213594 /nfs/dbraw/zinc/21/35/94/187213594.db2.gz FOYACMQTPJZEIZ-UHFFFAOYSA-N 1 2 236.319 0.837 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2CCO[C@@H]2C)CCOC1 ZINC000602797648 349738775 /nfs/dbraw/zinc/73/87/75/349738775.db2.gz LBAXUOYBWPGGCP-SCVCMEIPSA-N 1 2 243.303 0.333 20 0 BCADLO C[C@@H](NC(=O)c1cncn1C)c1[nH]cc[nH+]1 ZINC000235205122 342997781 /nfs/dbraw/zinc/99/77/81/342997781.db2.gz GYRQUOKMBOJWKF-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000602799183 349739439 /nfs/dbraw/zinc/73/94/39/349739439.db2.gz SPOBDOQNWPJISD-NSHDSACASA-N 1 2 248.334 0.755 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000602799183 349739441 /nfs/dbraw/zinc/73/94/41/349739441.db2.gz SPOBDOQNWPJISD-NSHDSACASA-N 1 2 248.334 0.755 20 0 BCADLO CC[C@@](C)([NH2+]CCc1cnccn1)C(=O)OC ZINC000602800029 349740341 /nfs/dbraw/zinc/74/03/41/349740341.db2.gz PHCKISKSEBZJJV-GFCCVEGCSA-N 1 2 237.303 0.950 20 0 BCADLO CC[C@](C)([NH2+]CCc1cnccn1)C(=O)OC ZINC000602800032 349740608 /nfs/dbraw/zinc/74/06/08/349740608.db2.gz PHCKISKSEBZJJV-LBPRGKRZSA-N 1 2 237.303 0.950 20 0 BCADLO COC(=O)CCN1CC[N@H+](CC(C)=O)[C@H](C)C1 ZINC000602805042 349743469 /nfs/dbraw/zinc/74/34/69/349743469.db2.gz KSSRHLJMTQYQNE-SNVBAGLBSA-N 1 2 242.319 0.145 20 0 BCADLO COC(=O)CCN1CC[N@@H+](CC(C)=O)[C@H](C)C1 ZINC000602805042 349743471 /nfs/dbraw/zinc/74/34/71/349743471.db2.gz KSSRHLJMTQYQNE-SNVBAGLBSA-N 1 2 242.319 0.145 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000602771827 349726224 /nfs/dbraw/zinc/72/62/24/349726224.db2.gz GNYDNHJHBLSODJ-JGVFFNPUSA-N 1 2 240.259 0.589 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000602771827 349726226 /nfs/dbraw/zinc/72/62/26/349726226.db2.gz GNYDNHJHBLSODJ-JGVFFNPUSA-N 1 2 240.259 0.589 20 0 BCADLO CCOC(=O)c1ncc(C[N@H+](C)CCO)s1 ZINC000602762141 349733429 /nfs/dbraw/zinc/73/34/29/349733429.db2.gz IRVFFMPAXFXIPX-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO CCOC(=O)c1ncc(C[N@@H+](C)CCO)s1 ZINC000602762141 349733432 /nfs/dbraw/zinc/73/34/32/349733432.db2.gz IRVFFMPAXFXIPX-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000602818420 349759717 /nfs/dbraw/zinc/75/97/17/349759717.db2.gz DHLZSRULJXVCQK-BZNIZROVSA-N 1 2 243.376 0.490 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000602818420 349759720 /nfs/dbraw/zinc/75/97/20/349759720.db2.gz DHLZSRULJXVCQK-BZNIZROVSA-N 1 2 243.376 0.490 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000602826065 349765651 /nfs/dbraw/zinc/76/56/51/349765651.db2.gz LZVZVEZAQFEYEA-DTWKUNHWSA-N 1 2 238.291 0.259 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000602826065 349765655 /nfs/dbraw/zinc/76/56/55/349765655.db2.gz LZVZVEZAQFEYEA-DTWKUNHWSA-N 1 2 238.291 0.259 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000602783710 349748367 /nfs/dbraw/zinc/74/83/67/349748367.db2.gz FKURIUHICQAPNK-WDEREUQCSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000602783710 349748371 /nfs/dbraw/zinc/74/83/71/349748371.db2.gz FKURIUHICQAPNK-WDEREUQCSA-N 1 2 211.309 0.899 20 0 BCADLO CC(=O)NCCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362073768 187220269 /nfs/dbraw/zinc/22/02/69/187220269.db2.gz ZFLLIHLFPULGGM-NXEZZACHSA-N 1 2 246.376 0.354 20 0 BCADLO CON(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368458783 187220588 /nfs/dbraw/zinc/22/05/88/187220588.db2.gz PWIDLRCIJCGILD-SSDOTTSWSA-N 1 2 209.249 0.849 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000602810799 349754317 /nfs/dbraw/zinc/75/43/17/349754317.db2.gz NWOKDFOGDAZLHV-NWDGAFQWSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000602810799 349754320 /nfs/dbraw/zinc/75/43/20/349754320.db2.gz NWOKDFOGDAZLHV-NWDGAFQWSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000602814532 349756979 /nfs/dbraw/zinc/75/69/79/349756979.db2.gz DUMBSTHNVWDCJG-NWDGAFQWSA-N 1 2 241.335 0.525 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000602814532 349756982 /nfs/dbraw/zinc/75/69/82/349756982.db2.gz DUMBSTHNVWDCJG-NWDGAFQWSA-N 1 2 241.335 0.525 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000022112765 343040028 /nfs/dbraw/zinc/04/00/28/343040028.db2.gz JYJKFDHLEYMLDX-NEPJUHHUSA-N 1 2 235.283 0.795 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000022112765 343040030 /nfs/dbraw/zinc/04/00/30/343040030.db2.gz JYJKFDHLEYMLDX-NEPJUHHUSA-N 1 2 235.283 0.795 20 0 BCADLO C[C@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(F)(F)F ZINC000634631550 343041928 /nfs/dbraw/zinc/04/19/28/343041928.db2.gz XECASFKHMGGXBR-NTSWFWBYSA-N 1 2 235.209 0.745 20 0 BCADLO C[C@@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(F)(F)F ZINC000634631551 343042022 /nfs/dbraw/zinc/04/20/22/343042022.db2.gz XECASFKHMGGXBR-PHDIDXHHSA-N 1 2 235.209 0.745 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000602843908 349781395 /nfs/dbraw/zinc/78/13/95/349781395.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000602843908 349781399 /nfs/dbraw/zinc/78/13/99/349781399.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000602843908 349781401 /nfs/dbraw/zinc/78/14/01/349781401.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000602843908 349781404 /nfs/dbraw/zinc/78/14/04/349781404.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000602843908 349781407 /nfs/dbraw/zinc/78/14/07/349781407.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000602843908 349781409 /nfs/dbraw/zinc/78/14/09/349781409.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 1 2 248.334 0.705 20 0 BCADLO CC(C)OC[C@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000634650538 343061148 /nfs/dbraw/zinc/06/11/48/343061148.db2.gz OLRPBFVYMLQINA-LLVKDONJSA-N 1 2 229.320 0.637 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ncccn1 ZINC000576834343 365699377 /nfs/dbraw/zinc/69/93/77/365699377.db2.gz JOSXMLWUVJENDA-LBPRGKRZSA-N 1 2 232.287 0.331 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ncccn1 ZINC000576834343 365699383 /nfs/dbraw/zinc/69/93/83/365699383.db2.gz JOSXMLWUVJENDA-LBPRGKRZSA-N 1 2 232.287 0.331 20 0 BCADLO Cc1cc(C)c(Cn2ncn(C)c2=O)c(C)[nH+]1 ZINC000634546859 362037887 /nfs/dbraw/zinc/03/78/87/362037887.db2.gz TXQUADJGCDPRLZ-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H](CNc1ncccn1)[NH+]1CCN(C)CC1 ZINC000067448139 362031520 /nfs/dbraw/zinc/03/15/20/362031520.db2.gz CTRKMJGNFSNGEY-NSHDSACASA-N 1 2 235.335 0.524 20 0 BCADLO CC(C)n1cc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398284996 343111090 /nfs/dbraw/zinc/11/10/90/343111090.db2.gz BWPZNYMZJMDRQG-UHFFFAOYSA-N 1 2 220.280 0.872 20 0 BCADLO COC1([C@H](C)[NH2+]Cc2nnn(C)n2)CCCC1 ZINC000562949321 323034651 /nfs/dbraw/zinc/03/46/51/323034651.db2.gz OYRFOUIUUINPDO-VIFPVBQESA-N 1 2 239.323 0.647 20 0 BCADLO CC(C)OCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640834609 362062909 /nfs/dbraw/zinc/06/29/09/362062909.db2.gz QYDDYKNQFXEWDM-NSHDSACASA-N 1 2 240.307 0.364 20 0 BCADLO c1cn(Cc2cn(C[C@H]3CCCOC3)nn2)c[nH+]1 ZINC000640960482 362100151 /nfs/dbraw/zinc/10/01/51/362100151.db2.gz UQGYGQPXJMZOEU-LLVKDONJSA-N 1 2 247.302 0.950 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](CF)C1 ZINC000622700819 343122311 /nfs/dbraw/zinc/12/23/11/343122311.db2.gz WANQQAFOHYMKHR-SECBINFHSA-N 1 2 241.266 0.539 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCCF)nn1 ZINC000640938304 362082107 /nfs/dbraw/zinc/08/21/07/362082107.db2.gz OQKKZOHSKXLEEC-UHFFFAOYSA-N 1 2 216.260 0.062 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCCF)nn1 ZINC000640938304 362082109 /nfs/dbraw/zinc/08/21/09/362082109.db2.gz OQKKZOHSKXLEEC-UHFFFAOYSA-N 1 2 216.260 0.062 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000677728609 488203623 /nfs/dbraw/zinc/20/36/23/488203623.db2.gz KLOYNZKLELBWJH-YUMQZZPRSA-N 1 2 225.248 0.068 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000677728609 488203627 /nfs/dbraw/zinc/20/36/27/488203627.db2.gz KLOYNZKLELBWJH-YUMQZZPRSA-N 1 2 225.248 0.068 20 0 BCADLO COc1cncc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000625258499 343124895 /nfs/dbraw/zinc/12/48/95/343124895.db2.gz KAYRYTDFBQPTGI-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1cncc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000625258499 343124897 /nfs/dbraw/zinc/12/48/97/343124897.db2.gz KAYRYTDFBQPTGI-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO NC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578240 136271930 /nfs/dbraw/zinc/27/19/30/136271930.db2.gz KMNDQNNNYRBFPQ-UHFFFAOYSA-N 1 2 239.241 0.042 20 0 BCADLO NC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578240 136271931 /nfs/dbraw/zinc/27/19/31/136271931.db2.gz KMNDQNNNYRBFPQ-UHFFFAOYSA-N 1 2 239.241 0.042 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@H](C)[NH3+] ZINC000050183101 343136402 /nfs/dbraw/zinc/13/64/02/343136402.db2.gz LJVRYRAKAPLGQI-ZETCQYMHSA-N 1 2 210.281 0.114 20 0 BCADLO C[C@@H](NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000125352707 343172936 /nfs/dbraw/zinc/17/29/36/343172936.db2.gz QIEBDILQWFIJII-ZCFIWIBFSA-N 1 2 205.221 0.624 20 0 BCADLO C[C@@H](NC(=O)c1cnns1)c1[nH]cc[nH+]1 ZINC000125377655 343172951 /nfs/dbraw/zinc/17/29/51/343172951.db2.gz PIRMWIAAUQTSTN-RXMQYKEDSA-N 1 2 223.261 0.752 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000125350552 343173149 /nfs/dbraw/zinc/17/31/49/343173149.db2.gz PNHICIQGKZIXHH-ZCFIWIBFSA-N 1 2 206.205 0.889 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000408032376 136272723 /nfs/dbraw/zinc/27/27/23/136272723.db2.gz WDVGICWGOBWIOQ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000408032376 136272724 /nfs/dbraw/zinc/27/27/24/136272724.db2.gz WDVGICWGOBWIOQ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000163339677 343206210 /nfs/dbraw/zinc/20/62/10/343206210.db2.gz LIHYOLPYGPDVKZ-YUMQZZPRSA-N 1 2 201.266 0.299 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000332840000 343216401 /nfs/dbraw/zinc/21/64/01/343216401.db2.gz CAVXYSZWKRILSW-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000332840000 343216402 /nfs/dbraw/zinc/21/64/02/343216402.db2.gz CAVXYSZWKRILSW-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCCO[C@@H](C)C1 ZINC000134882736 343191828 /nfs/dbraw/zinc/19/18/28/343191828.db2.gz IUFGFWAFHJINSD-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCCO[C@@H](C)C1 ZINC000134882736 343191830 /nfs/dbraw/zinc/19/18/30/343191830.db2.gz IUFGFWAFHJINSD-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COC[C@@H](C)CNc1nc[nH+]c(N)c1OC ZINC000134870483 343191956 /nfs/dbraw/zinc/19/19/56/343191956.db2.gz OXDDQFGWZFRIAJ-ZETCQYMHSA-N 1 2 226.280 0.762 20 0 BCADLO COC[C@@H](C)CNc1[nH+]cnc(N)c1OC ZINC000134870483 343191958 /nfs/dbraw/zinc/19/19/58/343191958.db2.gz OXDDQFGWZFRIAJ-ZETCQYMHSA-N 1 2 226.280 0.762 20 0 BCADLO COc1c(N)[nH+]cnc1NCCc1cnn(C)c1 ZINC000134924617 343192451 /nfs/dbraw/zinc/19/24/51/343192451.db2.gz JUJOZEABGSXWFF-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO COc1c(N)nc[nH+]c1NCCc1cnn(C)c1 ZINC000134924617 343192453 /nfs/dbraw/zinc/19/24/53/343192453.db2.gz JUJOZEABGSXWFF-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO CC[NH+]1CCN(C[C@H](O)C(C)C)CC1 ZINC000087537598 136281893 /nfs/dbraw/zinc/28/18/93/136281893.db2.gz HJMAZSNGPULBDW-NSHDSACASA-N 1 2 200.326 0.641 20 0 BCADLO COc1cc[nH+]c(Cn2cc(CCCO)nn2)c1 ZINC000641030689 362144729 /nfs/dbraw/zinc/14/47/29/362144729.db2.gz GBMRBWZOVOVILH-UHFFFAOYSA-N 1 2 248.286 0.655 20 0 BCADLO COc1cc[nH+]c(Cn2cc(CCO)nn2)c1 ZINC000641030759 362145240 /nfs/dbraw/zinc/14/52/40/362145240.db2.gz IZMRGVQTVZXATA-UHFFFAOYSA-N 1 2 234.259 0.265 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@@H](C)C(=O)OC)n1 ZINC000048335406 343244199 /nfs/dbraw/zinc/24/41/99/343244199.db2.gz OTYKVKYBMQUQQY-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@@H](C)C(=O)OC)n1 ZINC000048335406 343244201 /nfs/dbraw/zinc/24/42/01/343244201.db2.gz OTYKVKYBMQUQQY-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774224 343259305 /nfs/dbraw/zinc/25/93/05/343259305.db2.gz ZXEQUOLYYHTADA-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774224 343259308 /nfs/dbraw/zinc/25/93/08/343259308.db2.gz ZXEQUOLYYHTADA-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CS[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121334506 343265089 /nfs/dbraw/zinc/26/50/89/343265089.db2.gz GGDGCBXCJWOIQD-QMMMGPOBSA-N 1 2 227.333 0.830 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCS1 ZINC000121416874 343267175 /nfs/dbraw/zinc/26/71/75/343267175.db2.gz QEPAKQSTVCKCKG-JTQLQIEISA-N 1 2 239.344 0.974 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)CCCO1 ZINC000121412252 343267217 /nfs/dbraw/zinc/26/72/17/343267217.db2.gz CHMDGSLDNJBYBU-LBPRGKRZSA-N 1 2 237.303 0.648 20 0 BCADLO CCCOCC(=O)NCCc1c[nH+]cn1C ZINC000121290799 349804221 /nfs/dbraw/zinc/80/42/21/349804221.db2.gz QYIKNBHXNUNSLF-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000299906944 349804377 /nfs/dbraw/zinc/80/43/77/349804377.db2.gz QOTHGFUFVROALB-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000299906944 349804381 /nfs/dbraw/zinc/80/43/81/349804381.db2.gz QOTHGFUFVROALB-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000070163094 343303816 /nfs/dbraw/zinc/30/38/16/343303816.db2.gz ZBIVBTUBBAOXDG-SSDOTTSWSA-N 1 2 210.237 0.290 20 0 BCADLO Cn1c[nH+]c(Cn2cc(-c3ccnn3C)nn2)c1 ZINC000641054376 362164095 /nfs/dbraw/zinc/16/40/95/362164095.db2.gz XVJKDGZJNQJFBL-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO CC(C)[C@H](O)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053816 362164151 /nfs/dbraw/zinc/16/41/51/362164151.db2.gz OQIZXYSISVPCIO-GFCCVEGCSA-N 1 2 249.318 0.619 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnns2)C[C@@H]1OC ZINC000625373297 343360033 /nfs/dbraw/zinc/36/00/33/343360033.db2.gz PNNXAWKZKVIEQS-DTORHVGOSA-N 1 2 229.305 0.384 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnns2)C[C@@H]1OC ZINC000625373297 343360035 /nfs/dbraw/zinc/36/00/35/343360035.db2.gz PNNXAWKZKVIEQS-DTORHVGOSA-N 1 2 229.305 0.384 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000348823329 136299742 /nfs/dbraw/zinc/29/97/42/136299742.db2.gz UXFUXPMZVZSHRE-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCN(CC)C(=O)C1 ZINC000348823329 136299743 /nfs/dbraw/zinc/29/97/43/136299743.db2.gz UXFUXPMZVZSHRE-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000299906947 349804940 /nfs/dbraw/zinc/80/49/40/349804940.db2.gz QOTHGFUFVROALB-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000299906947 349804944 /nfs/dbraw/zinc/80/49/44/349804944.db2.gz QOTHGFUFVROALB-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000348869362 136302720 /nfs/dbraw/zinc/30/27/20/136302720.db2.gz MUUACWFNLDYCHA-ZJUUUORDSA-N 1 2 247.298 0.665 20 0 BCADLO Cc1cc(NC(=O)NC[C@H](O)C(F)F)cc[nH+]1 ZINC000348831830 136303286 /nfs/dbraw/zinc/30/32/86/136303286.db2.gz CAGAAHYYHQZCAC-QMMMGPOBSA-N 1 2 245.229 0.559 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000335664932 136316516 /nfs/dbraw/zinc/31/65/16/136316516.db2.gz YWRIGZTYXGBXIW-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000335664932 136316517 /nfs/dbraw/zinc/31/65/17/136316517.db2.gz YWRIGZTYXGBXIW-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602907334 349806766 /nfs/dbraw/zinc/80/67/66/349806766.db2.gz MHOACPUFNOFFFB-CABZTGNLSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602907334 349806769 /nfs/dbraw/zinc/80/67/69/349806769.db2.gz MHOACPUFNOFFFB-CABZTGNLSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(O)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641076466 362185675 /nfs/dbraw/zinc/18/56/75/362185675.db2.gz DTHDNGKRJPGAGA-UHFFFAOYSA-N 1 2 235.291 0.684 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)cc[nH+]1 ZINC000349153064 136326825 /nfs/dbraw/zinc/32/68/25/136326825.db2.gz RCDSGSXAHYIOJA-UWVGGRQHSA-N 1 2 247.298 0.665 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(=O)N[C@H](C)C2)cc[nH+]1 ZINC000349153063 136327172 /nfs/dbraw/zinc/32/71/72/136327172.db2.gz RCDSGSXAHYIOJA-NXEZZACHSA-N 1 2 247.298 0.665 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000625401595 343413973 /nfs/dbraw/zinc/41/39/73/343413973.db2.gz XPCSERHZPLVANU-GFCCVEGCSA-N 1 2 246.326 0.555 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000625401595 343413977 /nfs/dbraw/zinc/41/39/77/343413977.db2.gz XPCSERHZPLVANU-GFCCVEGCSA-N 1 2 246.326 0.555 20 0 BCADLO CC[C@H](Cn1cc([C@@H]2COCC[NH2+]2)nn1)OC ZINC000641079568 362192433 /nfs/dbraw/zinc/19/24/33/362192433.db2.gz FCYKMKGQIHYOJW-KOLCDFICSA-N 1 2 240.307 0.364 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000349385338 136344048 /nfs/dbraw/zinc/34/40/48/136344048.db2.gz PZAZLENAIYBVRQ-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)n1cncn1 ZINC000042535263 343442008 /nfs/dbraw/zinc/44/20/08/343442008.db2.gz LVROGMZMPJMLEF-NXEZZACHSA-N 1 2 248.290 0.241 20 0 BCADLO CC(C)[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083963 362205274 /nfs/dbraw/zinc/20/52/74/362205274.db2.gz XXSZEQSTKOEWGD-LLVKDONJSA-N 1 2 235.291 0.540 20 0 BCADLO CC(=O)NC1CN(c2cc[nH+]c(C)n2)C1 ZINC000276195401 187339244 /nfs/dbraw/zinc/33/92/44/187339244.db2.gz XVESXERLJWHBHR-UHFFFAOYSA-N 1 2 206.249 0.110 20 0 BCADLO Cc1cc(Cn2cc(C(=O)N(C)C)nn2)cc[nH+]1 ZINC000641088604 362211625 /nfs/dbraw/zinc/21/16/25/362211625.db2.gz IWJROFKZUVDGDE-UHFFFAOYSA-N 1 2 245.286 0.732 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367082294 136332041 /nfs/dbraw/zinc/33/20/41/136332041.db2.gz ZIGOFWFQZHALMM-VHSXEESVSA-N 1 2 233.333 0.142 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367082294 136332042 /nfs/dbraw/zinc/33/20/42/136332042.db2.gz ZIGOFWFQZHALMM-VHSXEESVSA-N 1 2 233.333 0.142 20 0 BCADLO O=C(NC1(CCO)CC1)c1ccc2[nH+]ccn2c1 ZINC000349283012 136335191 /nfs/dbraw/zinc/33/51/91/136335191.db2.gz GVBMXHQWRTUKDU-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO CCN(CC(=O)OC)C(=O)CCn1cc[nH+]c1 ZINC000042528049 343441659 /nfs/dbraw/zinc/44/16/59/343441659.db2.gz YQGCMRFAWUPQOM-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO COC[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641080931 362196944 /nfs/dbraw/zinc/19/69/44/362196944.db2.gz ZXHRXEREJJCSDD-SECBINFHSA-N 1 2 221.264 0.730 20 0 BCADLO C[C@@H]1C[C@@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080958 362197130 /nfs/dbraw/zinc/19/71/30/362197130.db2.gz KBQDKIJNGPLPLX-NXEZZACHSA-N 1 2 224.308 0.358 20 0 BCADLO C[C@@H]1C[C@@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080958 362197136 /nfs/dbraw/zinc/19/71/36/362197136.db2.gz KBQDKIJNGPLPLX-NXEZZACHSA-N 1 2 224.308 0.358 20 0 BCADLO CC[C@H](Cn1cc(C[N@H+](C)CCO)nn1)OC ZINC000641081290 362198698 /nfs/dbraw/zinc/19/86/98/362198698.db2.gz ONUDHYVRHWDQGQ-LLVKDONJSA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@H](Cn1cc(C[N@@H+](C)CCO)nn1)OC ZINC000641081290 362198703 /nfs/dbraw/zinc/19/87/03/362198703.db2.gz ONUDHYVRHWDQGQ-LLVKDONJSA-N 1 2 242.323 0.127 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1CO ZINC000042433799 343437593 /nfs/dbraw/zinc/43/75/93/343437593.db2.gz VTQKUQINDFNXAB-JTQLQIEISA-N 1 2 223.276 0.257 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1CO ZINC000042433798 343437662 /nfs/dbraw/zinc/43/76/62/343437662.db2.gz VTQKUQINDFNXAB-SNVBAGLBSA-N 1 2 223.276 0.257 20 0 BCADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1c[nH]cn1 ZINC000350273105 136357314 /nfs/dbraw/zinc/35/73/14/136357314.db2.gz ZGDWQLHKBFZZGX-NSHDSACASA-N 1 2 241.291 0.468 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000191771810 136364685 /nfs/dbraw/zinc/36/46/85/136364685.db2.gz XBUZZLLNPQAQMD-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000191771810 136364686 /nfs/dbraw/zinc/36/46/86/136364686.db2.gz XBUZZLLNPQAQMD-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO CC[C@H]([NH2+]CCn1cncn1)[C@H]1CCOC1 ZINC000167012812 136367933 /nfs/dbraw/zinc/36/79/33/136367933.db2.gz KRRXEJGFZRCIHT-QWRGUYRKSA-N 1 2 224.308 0.683 20 0 BCADLO COC(=O)[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300377607 136368088 /nfs/dbraw/zinc/36/80/88/136368088.db2.gz AMPALBXFSXFJKX-IEBDPFPHSA-N 1 2 227.304 0.953 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000351806638 136370791 /nfs/dbraw/zinc/37/07/91/136370791.db2.gz GKWORCMWCRXBEK-HTQZYQBOSA-N 1 2 243.332 0.749 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000351806638 136370792 /nfs/dbraw/zinc/37/07/92/136370792.db2.gz GKWORCMWCRXBEK-HTQZYQBOSA-N 1 2 243.332 0.749 20 0 BCADLO C[C@@H](F)CC[N@H+](C)Cc1nnnn1C ZINC000351872992 136371278 /nfs/dbraw/zinc/37/12/78/136371278.db2.gz GFDBRPLHDHVIGU-SSDOTTSWSA-N 1 2 201.249 0.390 20 0 BCADLO C[C@@H](F)CC[N@@H+](C)Cc1nnnn1C ZINC000351872992 136371279 /nfs/dbraw/zinc/37/12/79/136371279.db2.gz GFDBRPLHDHVIGU-SSDOTTSWSA-N 1 2 201.249 0.390 20 0 BCADLO C[NH2+]Cc1noc([C@@H](N)c2ccccc2OC)n1 ZINC000576989357 365745928 /nfs/dbraw/zinc/74/59/28/365745928.db2.gz FRNYBCLWGQVBIJ-NSHDSACASA-N 1 2 248.286 0.846 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CO1 ZINC000616496659 343480728 /nfs/dbraw/zinc/48/07/28/343480728.db2.gz LMGBFDPAFKQHSO-LNFKQOIKSA-N 1 2 249.314 0.817 20 0 BCADLO CCc1cc(N[C@H](CO)c2ccnn2C)nc[nH+]1 ZINC000631298381 343460270 /nfs/dbraw/zinc/46/02/70/343460270.db2.gz IBTHJFUNTUHZSA-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000683781716 488220531 /nfs/dbraw/zinc/22/05/31/488220531.db2.gz FRENSJSGNRAKGG-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000683781716 488220533 /nfs/dbraw/zinc/22/05/33/488220533.db2.gz FRENSJSGNRAKGG-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO C/C=C/CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000623726115 343517408 /nfs/dbraw/zinc/51/74/08/343517408.db2.gz ZJTGJSPASZZHDM-UFFNRZRYSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C/CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000623726115 343517411 /nfs/dbraw/zinc/51/74/11/343517411.db2.gz ZJTGJSPASZZHDM-UFFNRZRYSA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C(\C)C(=O)NCC[NH+]1CCOCC1 ZINC000046042465 343537864 /nfs/dbraw/zinc/53/78/64/343537864.db2.gz SLTWHQYBDPFBJO-NYYWCZLTSA-N 1 2 226.320 0.791 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H](O)CSC)CCO1 ZINC000602897001 349814161 /nfs/dbraw/zinc/81/41/61/349814161.db2.gz IIIZMNLYJQJBJC-RKDXNWHRSA-N 1 2 221.322 0.015 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H](O)CSC)CCO1 ZINC000602897001 349814162 /nfs/dbraw/zinc/81/41/62/349814162.db2.gz IIIZMNLYJQJBJC-RKDXNWHRSA-N 1 2 221.322 0.015 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccnc1 ZINC000046889862 343554910 /nfs/dbraw/zinc/55/49/10/343554910.db2.gz MKJVZVPYDVRASJ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CCc1nnc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)[nH]1 ZINC000488118181 529737455 /nfs/dbraw/zinc/73/74/55/529737455.db2.gz ZFIMGRBILHXYCQ-IUCAKERBSA-N 1 2 240.307 0.213 20 0 BCADLO O=C(CCn1ccccc1=O)NCc1[nH]cc[nH+]1 ZINC000070991459 343582601 /nfs/dbraw/zinc/58/26/01/343582601.db2.gz WYGQPMPYMKELEM-UHFFFAOYSA-N 1 2 246.270 0.278 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@@H](C)C(=O)OC)no1 ZINC000048743392 343587245 /nfs/dbraw/zinc/58/72/45/343587245.db2.gz LVDGUGNERXOGBO-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@@H](C)C(=O)OC)no1 ZINC000048743392 343587247 /nfs/dbraw/zinc/58/72/47/343587247.db2.gz LVDGUGNERXOGBO-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CN(C)c1ccc(CNC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000049341644 343596197 /nfs/dbraw/zinc/59/61/97/343596197.db2.gz LOVDBVHMWBAFDS-NSHDSACASA-N 1 2 249.314 0.800 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CC1 ZINC000048465092 343581869 /nfs/dbraw/zinc/58/18/69/343581869.db2.gz HMAFXXFCRALIQA-VIFPVBQESA-N 1 2 222.292 0.981 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000620060621 343616995 /nfs/dbraw/zinc/61/69/95/343616995.db2.gz IHGGCMJKAFILRF-VHSXEESVSA-N 1 2 249.314 0.475 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000668208108 488225363 /nfs/dbraw/zinc/22/53/63/488225363.db2.gz YJHVKHDRBGIQIY-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCCn1nccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000668208108 488225365 /nfs/dbraw/zinc/22/53/65/488225365.db2.gz YJHVKHDRBGIQIY-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO COc1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000340057199 187343164 /nfs/dbraw/zinc/34/31/64/187343164.db2.gz FKQCJJCPILVQOC-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO C[N@H+](CCO)Cc1nnnn1-c1ccccc1 ZINC000049634188 343604847 /nfs/dbraw/zinc/60/48/47/343604847.db2.gz WITSDSQLIOEJRB-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO C[N@@H+](CCO)Cc1nnnn1-c1ccccc1 ZINC000049634188 343604848 /nfs/dbraw/zinc/60/48/48/343604848.db2.gz WITSDSQLIOEJRB-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO Cc1noc(C[NH+]2CCC([C@H](C)O)CC2)n1 ZINC000225778799 259367336 /nfs/dbraw/zinc/36/73/36/259367336.db2.gz MCDKCHGFIOMFGH-QMMMGPOBSA-N 1 2 225.292 0.971 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492843066 529801521 /nfs/dbraw/zinc/80/15/21/529801521.db2.gz UWWNPGGTTWTCAT-ARJAWSKDSA-N 1 2 247.262 0.246 20 0 BCADLO CC[C@@H](COC)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577054695 365795184 /nfs/dbraw/zinc/79/51/84/365795184.db2.gz ILIBEKJKMDHLET-CBAPKCEASA-N 1 2 243.332 0.684 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287723537 187345879 /nfs/dbraw/zinc/34/58/79/187345879.db2.gz DYDLREIVAPEGLU-PBKGFPTLSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)NC(C)(C)C1=O ZINC000288420177 187346248 /nfs/dbraw/zinc/34/62/48/187346248.db2.gz COZBPAMQWCHMTN-UHFFFAOYSA-N 1 2 249.270 0.921 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000048040492 343704073 /nfs/dbraw/zinc/70/40/73/343704073.db2.gz UGFFRYPOVJGYFL-SSDOTTSWSA-N 1 2 242.710 0.381 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000048040492 343704075 /nfs/dbraw/zinc/70/40/75/343704075.db2.gz UGFFRYPOVJGYFL-SSDOTTSWSA-N 1 2 242.710 0.381 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1c1cccc[nH+]1 ZINC000088093951 343704854 /nfs/dbraw/zinc/70/48/54/343704854.db2.gz ATIXAKJWOQRMOF-UWVGGRQHSA-N 1 2 208.261 0.668 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccco1 ZINC000088094547 343705755 /nfs/dbraw/zinc/70/57/55/343705755.db2.gz HLCJPJCWVFJOJY-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccco1 ZINC000088094547 343705757 /nfs/dbraw/zinc/70/57/57/343705757.db2.gz HLCJPJCWVFJOJY-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO CC(C)[C@H](NS(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000288975397 187346825 /nfs/dbraw/zinc/34/68/25/187346825.db2.gz RCZLKCHQZWFNRB-ZETCQYMHSA-N 1 2 217.294 0.656 20 0 BCADLO CCn1nnc(C)c1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000625435846 343733728 /nfs/dbraw/zinc/73/37/28/343733728.db2.gz YAFNJHJBIHDAER-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1nnc(C)c1C[N@H+]1CCc2nc[nH]c2C1 ZINC000625435846 343733730 /nfs/dbraw/zinc/73/37/30/343733730.db2.gz YAFNJHJBIHDAER-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO O[C@H](CN1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000625436459 343733844 /nfs/dbraw/zinc/73/38/44/343733844.db2.gz GZPYKCRZASHYFF-MRVPVSSYSA-N 1 2 235.209 0.691 20 0 BCADLO CCN1CC[C@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000625434262 343735079 /nfs/dbraw/zinc/73/50/79/343735079.db2.gz LHIDOIJNYRDEJX-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CCn1nncc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434610 343735563 /nfs/dbraw/zinc/73/55/63/343735563.db2.gz COJZLJPGUDNNKJ-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1nncc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000625434610 343735565 /nfs/dbraw/zinc/73/55/65/343735565.db2.gz COJZLJPGUDNNKJ-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO c1nnsc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625434852 343735778 /nfs/dbraw/zinc/73/57/78/343735778.db2.gz INWGDHCERPSLLN-UHFFFAOYSA-N 1 2 221.289 0.820 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCC=C(F)C2)OC1=O ZINC000496127622 529825218 /nfs/dbraw/zinc/82/52/18/529825218.db2.gz IUSHSWBNFKDOHP-SECBINFHSA-N 1 2 214.240 0.996 20 0 BCADLO CN1C[C@H](C[N@H+]2CCC=C(F)C2)OC1=O ZINC000496127622 529825220 /nfs/dbraw/zinc/82/52/20/529825220.db2.gz IUSHSWBNFKDOHP-SECBINFHSA-N 1 2 214.240 0.996 20 0 BCADLO CN1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000492899786 529827765 /nfs/dbraw/zinc/82/77/65/529827765.db2.gz MUHYRVNTCWLLEQ-WUWIAWFRSA-N 1 2 248.286 0.160 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCOCC23CC3)OC1=O ZINC000495661436 529817516 /nfs/dbraw/zinc/81/75/16/529817516.db2.gz JEZJPHOVCVCVMW-VIFPVBQESA-N 1 2 226.276 0.302 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCOCC23CC3)OC1=O ZINC000495661436 529817518 /nfs/dbraw/zinc/81/75/18/529817518.db2.gz JEZJPHOVCVCVMW-VIFPVBQESA-N 1 2 226.276 0.302 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCc1cn(C)nn1 ZINC000625451226 343777666 /nfs/dbraw/zinc/77/76/66/343777666.db2.gz ZZIKDQVQRDMYFF-VIFPVBQESA-N 1 2 210.281 0.078 20 0 BCADLO C[C@H]1COCC[N@H+]1CCc1cn(C)nn1 ZINC000625451226 343777667 /nfs/dbraw/zinc/77/76/67/343777667.db2.gz ZZIKDQVQRDMYFF-VIFPVBQESA-N 1 2 210.281 0.078 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1c[nH+]cn1C ZINC000584123485 343763033 /nfs/dbraw/zinc/76/30/33/343763033.db2.gz XNXMCNJMNLDCOL-LLVKDONJSA-N 1 2 225.292 0.445 20 0 BCADLO CNC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000493908787 529860901 /nfs/dbraw/zinc/86/09/01/529860901.db2.gz RRQDMUSTZFYLBP-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO CNC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000493908787 529860902 /nfs/dbraw/zinc/86/09/02/529860902.db2.gz RRQDMUSTZFYLBP-UHFFFAOYSA-N 1 2 245.323 0.189 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCSC1 ZINC000336531393 537814521 /nfs/dbraw/zinc/81/45/21/537814521.db2.gz MEUZTHLUJUTFHM-MRVPVSSYSA-N 1 2 225.317 0.789 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085754 349864688 /nfs/dbraw/zinc/86/46/88/349864688.db2.gz BTNMAAQJAJDOSW-BXKDBHETSA-N 1 2 237.255 0.633 20 0 BCADLO COC(=O)c1occc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085754 349864690 /nfs/dbraw/zinc/86/46/90/349864690.db2.gz BTNMAAQJAJDOSW-BXKDBHETSA-N 1 2 237.255 0.633 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000076819113 344038139 /nfs/dbraw/zinc/03/81/39/344038139.db2.gz CICBEIZNTAKOOQ-KCWFYHRYSA-N 1 2 241.360 0.761 20 0 BCADLO CNC(=O)C[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069503 529867596 /nfs/dbraw/zinc/86/75/96/529867596.db2.gz HWOCPLKRMKKVIF-MPJRPATESA-N 1 2 236.275 0.064 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)C(N)=O ZINC000309216084 346993283 /nfs/dbraw/zinc/99/32/83/346993283.db2.gz UJWFHWIJKBHKNI-CAHLUQPWSA-N 1 2 228.321 0.761 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)C(N)=O ZINC000309216086 346993355 /nfs/dbraw/zinc/99/33/55/346993355.db2.gz UJWFHWIJKBHKNI-IYSWYEEDSA-N 1 2 228.321 0.761 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(=O)[nH]c1 ZINC000121431868 349879047 /nfs/dbraw/zinc/87/90/47/349879047.db2.gz AUAMFQZAEOJJKO-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO CC[C@H](C)Cn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603194811 349883239 /nfs/dbraw/zinc/88/32/39/349883239.db2.gz GMFKQOGIBXIXNU-WCBMZHEXSA-N 1 2 240.307 0.367 20 0 BCADLO CC[C@H](C)n1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603200558 349885510 /nfs/dbraw/zinc/88/55/10/349885510.db2.gz ZEZBGXICMOHPKS-IONNQARKSA-N 1 2 226.280 0.292 20 0 BCADLO CCC[C@@H](C)n1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603203461 349886167 /nfs/dbraw/zinc/88/61/67/349886167.db2.gz XRMVKBAJXZUJIE-PSASIEDQSA-N 1 2 240.307 0.682 20 0 BCADLO CSCc1cnc(C[NH2+][C@H](C)C(N)=O)s1 ZINC000393508171 343887276 /nfs/dbraw/zinc/88/72/76/343887276.db2.gz WUORXCOCMKEIQP-ZCFIWIBFSA-N 1 2 245.373 0.970 20 0 BCADLO CCC[C@H](C)n1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603203463 349886209 /nfs/dbraw/zinc/88/62/09/349886209.db2.gz XRMVKBAJXZUJIE-WCBMZHEXSA-N 1 2 240.307 0.682 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000625516770 343915383 /nfs/dbraw/zinc/91/53/83/343915383.db2.gz ZGGNOCIZESFXLT-QWRGUYRKSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000625516770 343915384 /nfs/dbraw/zinc/91/53/84/343915384.db2.gz ZGGNOCIZESFXLT-QWRGUYRKSA-N 1 2 241.335 0.368 20 0 BCADLO CO[C@H](Cn1cc(Cn2cc[nH+]c2)nn1)C1CC1 ZINC000641184181 362260464 /nfs/dbraw/zinc/26/04/64/362260464.db2.gz ZAAOWBIMCMIJAW-GFCCVEGCSA-N 1 2 247.302 0.948 20 0 BCADLO CSCc1cn(Cc2c[nH+]cn2C)nn1 ZINC000603218104 349896437 /nfs/dbraw/zinc/89/64/37/349896437.db2.gz OYPVBGCVIHHQHJ-UHFFFAOYSA-N 1 2 223.305 0.923 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](O)C2)[nH]c1C ZINC000628119362 343970301 /nfs/dbraw/zinc/97/03/01/343970301.db2.gz ONUWQYKTKXBDKK-JTQLQIEISA-N 1 2 209.293 0.983 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](O)C2)[nH]c1C ZINC000628119362 343970305 /nfs/dbraw/zinc/97/03/05/343970305.db2.gz ONUWQYKTKXBDKK-JTQLQIEISA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]c(CN2CCC[C@H](O)C2)[nH+]c1C ZINC000628119362 343970308 /nfs/dbraw/zinc/97/03/08/343970308.db2.gz ONUWQYKTKXBDKK-JTQLQIEISA-N 1 2 209.293 0.983 20 0 BCADLO O[C@@H]1CCCC[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641209133 362270603 /nfs/dbraw/zinc/27/06/03/362270603.db2.gz RYPJBWOBXLBVNZ-VXGBXAGGSA-N 1 2 247.302 0.999 20 0 BCADLO Cc1cccc(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)[nH+]1 ZINC000521050205 343950538 /nfs/dbraw/zinc/95/05/38/343950538.db2.gz DSBNPKNIEZZYHE-LLVKDONJSA-N 1 2 249.314 0.843 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042454 343952448 /nfs/dbraw/zinc/95/24/48/343952448.db2.gz HWBBWKCRLYPOAR-GWCFXTLKSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042454 343952449 /nfs/dbraw/zinc/95/24/49/343952449.db2.gz HWBBWKCRLYPOAR-GWCFXTLKSA-N 1 2 236.315 0.972 20 0 BCADLO CC[C@](C)(O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641217478 362280736 /nfs/dbraw/zinc/28/07/36/362280736.db2.gz SFZIYKSFOFSGCX-MNOVXSKESA-N 1 2 240.307 0.100 20 0 BCADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(N)=O)n1 ZINC000092695984 343961267 /nfs/dbraw/zinc/96/12/67/343961267.db2.gz AMNQNHPZSWZAEU-VIFPVBQESA-N 1 2 207.277 0.696 20 0 BCADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(N)=O)n1 ZINC000092695984 343961269 /nfs/dbraw/zinc/96/12/69/343961269.db2.gz AMNQNHPZSWZAEU-VIFPVBQESA-N 1 2 207.277 0.696 20 0 BCADLO FC(F)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641234454 362286417 /nfs/dbraw/zinc/28/64/17/362286417.db2.gz RSKGNBUKEFSOEG-UHFFFAOYSA-N 1 2 213.191 0.788 20 0 BCADLO Cc1nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc[nH+]1 ZINC000309750312 343963895 /nfs/dbraw/zinc/96/38/95/343963895.db2.gz GMYLLZISFLSEDI-VXNVDRBHSA-N 1 2 241.316 0.773 20 0 BCADLO CS[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420965 343967374 /nfs/dbraw/zinc/96/73/74/343967374.db2.gz MHPZDHRSZWYMMN-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420965 343967377 /nfs/dbraw/zinc/96/73/77/343967377.db2.gz MHPZDHRSZWYMMN-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727557 344058318 /nfs/dbraw/zinc/05/83/18/344058318.db2.gz YLQTYWCZULNMAR-LLVKDONJSA-N 1 2 218.256 0.596 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727557 344058319 /nfs/dbraw/zinc/05/83/19/344058319.db2.gz YLQTYWCZULNMAR-LLVKDONJSA-N 1 2 218.256 0.596 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727399 344058613 /nfs/dbraw/zinc/05/86/13/344058613.db2.gz WGOANFMHDHFIHI-NSHDSACASA-N 1 2 220.272 0.972 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727399 344058615 /nfs/dbraw/zinc/05/86/15/344058615.db2.gz WGOANFMHDHFIHI-NSHDSACASA-N 1 2 220.272 0.972 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC1(C)COC1 ZINC000625791197 344075450 /nfs/dbraw/zinc/07/54/50/344075450.db2.gz KYCZMMNHHNNTBA-MRVPVSSYSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC1(C)COC1 ZINC000625791197 344075452 /nfs/dbraw/zinc/07/54/52/344075452.db2.gz KYCZMMNHHNNTBA-MRVPVSSYSA-N 1 2 225.296 0.239 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000625767959 344068816 /nfs/dbraw/zinc/06/88/16/344068816.db2.gz CTXPRXURDNSMOO-UHFFFAOYSA-N 1 2 231.250 0.831 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCC(F)(F)CC1 ZINC000625767959 344068817 /nfs/dbraw/zinc/06/88/17/344068817.db2.gz CTXPRXURDNSMOO-UHFFFAOYSA-N 1 2 231.250 0.831 20 0 BCADLO CN(C)C(=O)CN(C)c1cc(CO)cc[nH+]1 ZINC000641259447 362336276 /nfs/dbraw/zinc/33/62/76/362336276.db2.gz AASWPHKOHWDUDV-UHFFFAOYSA-N 1 2 223.276 0.098 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)CC(C)(C)O1 ZINC000068475439 362337191 /nfs/dbraw/zinc/33/71/91/362337191.db2.gz DUOGVWDRISHLQG-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC(C)(C)O1 ZINC000068475439 362337200 /nfs/dbraw/zinc/33/72/00/362337200.db2.gz DUOGVWDRISHLQG-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NCC1CC1 ZINC000641266415 362338988 /nfs/dbraw/zinc/33/89/88/362338988.db2.gz ZDTIRDUZHDGIFB-UHFFFAOYSA-N 1 2 229.305 0.213 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC000624620413 344107750 /nfs/dbraw/zinc/10/77/50/344107750.db2.gz CPAFIJOKLVEEJH-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC000624620413 344107752 /nfs/dbraw/zinc/10/77/52/344107752.db2.gz CPAFIJOKLVEEJH-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO CC(C)C(=O)NCCNc1cc[nH+]cc1F ZINC000641276750 362341488 /nfs/dbraw/zinc/34/14/88/362341488.db2.gz JHIYRMWYTBMKOX-UHFFFAOYSA-N 1 2 225.267 0.827 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330578177 187358002 /nfs/dbraw/zinc/35/80/02/187358002.db2.gz SAQSZFPYFKUFCS-DCAQKATOSA-N 1 2 246.326 0.552 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330578177 187358003 /nfs/dbraw/zinc/35/80/03/187358003.db2.gz SAQSZFPYFKUFCS-DCAQKATOSA-N 1 2 246.326 0.552 20 0 BCADLO C(c1nnc2n1CCOC2)[NH+](C1CC1)C1CC1 ZINC000625841789 344093449 /nfs/dbraw/zinc/09/34/49/344093449.db2.gz QEMDXJAURCMNTO-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)on1 ZINC000078432815 344097100 /nfs/dbraw/zinc/09/71/00/344097100.db2.gz DSGLMNVXAHACMC-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)on1 ZINC000078432815 344097103 /nfs/dbraw/zinc/09/71/03/344097103.db2.gz DSGLMNVXAHACMC-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO CCCNC(=O)CNc1cc(CO)cc[nH+]1 ZINC000641263380 362335400 /nfs/dbraw/zinc/33/54/00/362335400.db2.gz RSOKABCAJUGENM-UHFFFAOYSA-N 1 2 223.276 0.512 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](O)C3)ccn12 ZINC000573335979 344101600 /nfs/dbraw/zinc/10/16/00/344101600.db2.gz FEUXDCQXIASZAT-NSHDSACASA-N 1 2 245.282 0.850 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc[nH+]cc1F ZINC000641263877 362335624 /nfs/dbraw/zinc/33/56/24/362335624.db2.gz DFAOAGCYTDHABC-ZETCQYMHSA-N 1 2 211.240 0.579 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)o1 ZINC000221474815 259373285 /nfs/dbraw/zinc/37/32/85/259373285.db2.gz WNMQLWRMGUZVBV-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)o1 ZINC000221474815 259373287 /nfs/dbraw/zinc/37/32/87/259373287.db2.gz WNMQLWRMGUZVBV-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CC(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634745952 344170203 /nfs/dbraw/zinc/17/02/03/344170203.db2.gz ZCVRBNMHWHUBIK-JTQLQIEISA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634745952 344170204 /nfs/dbraw/zinc/17/02/04/344170204.db2.gz ZCVRBNMHWHUBIK-JTQLQIEISA-N 1 2 212.293 0.518 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H](C)C1=O ZINC000618098151 344174043 /nfs/dbraw/zinc/17/40/43/344174043.db2.gz ZEHURRHNVHJUDG-NXEZZACHSA-N 1 2 249.314 0.646 20 0 BCADLO C[C@@H](Cn1cncn1)Nc1cc[nH+]cc1F ZINC000641321902 362362776 /nfs/dbraw/zinc/36/27/76/362362776.db2.gz SUWNRAJKWQPRFY-QMMMGPOBSA-N 1 2 221.239 0.735 20 0 BCADLO CC[C@H](C)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641316822 362362348 /nfs/dbraw/zinc/36/23/48/362362348.db2.gz WAMBQJLGJCRZMZ-JTQLQIEISA-N 1 2 245.348 0.943 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000631413106 344151834 /nfs/dbraw/zinc/15/18/34/344151834.db2.gz AECBXOWXNGBMLP-NQMVMOMDSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000631413106 344151837 /nfs/dbraw/zinc/15/18/37/344151837.db2.gz AECBXOWXNGBMLP-NQMVMOMDSA-N 1 2 223.276 0.839 20 0 BCADLO O=C1NCCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641319953 362363921 /nfs/dbraw/zinc/36/39/21/362363921.db2.gz CKASHDGFICABIK-VIFPVBQESA-N 1 2 221.260 0.264 20 0 BCADLO O[C@H](CNc1cc[nH+]cc1F)COCC1CC1 ZINC000641322833 362364466 /nfs/dbraw/zinc/36/44/66/362364466.db2.gz ADSFDEZKPONFMQ-SNVBAGLBSA-N 1 2 240.278 0.842 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634750137 344192864 /nfs/dbraw/zinc/19/28/64/344192864.db2.gz OCODXYLBSXQZKL-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634750137 344192867 /nfs/dbraw/zinc/19/28/67/344192867.db2.gz OCODXYLBSXQZKL-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CNC(=O)CCN(C)c1cc[nH+]cc1F ZINC000641339033 362369156 /nfs/dbraw/zinc/36/91/56/362369156.db2.gz WRFKAYIOASATSG-UHFFFAOYSA-N 1 2 211.240 0.793 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751465 344202857 /nfs/dbraw/zinc/20/28/57/344202857.db2.gz RGZFGBWKFAPTTG-SSDOTTSWSA-N 1 2 222.235 0.088 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751465 344202859 /nfs/dbraw/zinc/20/28/59/344202859.db2.gz RGZFGBWKFAPTTG-SSDOTTSWSA-N 1 2 222.235 0.088 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnnn1C ZINC000092437630 344295636 /nfs/dbraw/zinc/29/56/36/344295636.db2.gz OADBADXTHXZRAU-UHFFFAOYSA-N 1 2 234.307 0.571 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnnn1C ZINC000092437630 344295639 /nfs/dbraw/zinc/29/56/39/344295639.db2.gz OADBADXTHXZRAU-UHFFFAOYSA-N 1 2 234.307 0.571 20 0 BCADLO OCc1cc[nH+]c(NC[C@@H](O)C2CC2)c1 ZINC000641343293 362371041 /nfs/dbraw/zinc/37/10/41/362371041.db2.gz OEZVUAPRDKYJGA-SNVBAGLBSA-N 1 2 208.261 0.757 20 0 BCADLO CC[N@H+](CCNS(C)(=O)=O)Cc1ccoc1 ZINC000107300534 344266828 /nfs/dbraw/zinc/26/68/28/344266828.db2.gz PSSYJDPZTWOMMF-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CC[N@@H+](CCNS(C)(=O)=O)Cc1ccoc1 ZINC000107300534 344266830 /nfs/dbraw/zinc/26/68/30/344266830.db2.gz PSSYJDPZTWOMMF-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CC(C)NC(=O)CSCC[NH+]1CCOCC1 ZINC000127382954 344269770 /nfs/dbraw/zinc/26/97/70/344269770.db2.gz PNJOIIQGBUFPNS-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CN(Cc1ccnn1C)Cc1[nH+]ccn1C ZINC000091076392 344277127 /nfs/dbraw/zinc/27/71/27/344277127.db2.gz YUGQBWPZWYXNMX-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO C[C@H](Cc1cnccn1)[NH2+]Cc1ccn[nH]1 ZINC000309379805 347044513 /nfs/dbraw/zinc/04/45/13/347044513.db2.gz ADTWSSQPZDRINE-SECBINFHSA-N 1 2 217.276 0.921 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)nc(C)n1 ZINC000625869259 344242009 /nfs/dbraw/zinc/24/20/09/344242009.db2.gz DCLDZRWCAOTBFC-NSHDSACASA-N 1 2 234.303 0.543 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)nc(C)n1 ZINC000625869259 344242010 /nfs/dbraw/zinc/24/20/10/344242010.db2.gz DCLDZRWCAOTBFC-NSHDSACASA-N 1 2 234.303 0.543 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000625869447 344242563 /nfs/dbraw/zinc/24/25/63/344242563.db2.gz PIFUYUJWKBQGDB-LBPRGKRZSA-N 1 2 248.330 0.669 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000625869447 344242564 /nfs/dbraw/zinc/24/25/64/344242564.db2.gz PIFUYUJWKBQGDB-LBPRGKRZSA-N 1 2 248.330 0.669 20 0 BCADLO Cc1nc(NC[C@@]2(CCO)CCOC2)cc[nH+]1 ZINC000131674112 344322675 /nfs/dbraw/zinc/32/26/75/344322675.db2.gz OEIDRWOKQCQCPK-GFCCVEGCSA-N 1 2 237.303 0.986 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000600634339 344347240 /nfs/dbraw/zinc/34/72/40/344347240.db2.gz LBBIMALNTRWGRJ-ONGXEEELSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000600634339 344347242 /nfs/dbraw/zinc/34/72/42/344347242.db2.gz LBBIMALNTRWGRJ-ONGXEEELSA-N 1 2 235.287 0.329 20 0 BCADLO CCc1nnc2n1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000600643605 344350374 /nfs/dbraw/zinc/35/03/74/344350374.db2.gz HZKOMOPNZFKULE-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO C[C@H](NC(=O)C1CC(=O)C1)c1[nH+]ccn1C ZINC000620602914 344353091 /nfs/dbraw/zinc/35/30/91/344353091.db2.gz COJNZJFFVLGJRN-ZETCQYMHSA-N 1 2 221.260 0.576 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493682296 529970911 /nfs/dbraw/zinc/97/09/11/529970911.db2.gz HNQCLKCPBHIJAP-VMZHVLLKSA-N 1 2 235.287 0.918 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093050749 344307674 /nfs/dbraw/zinc/30/76/74/344307674.db2.gz STDCLUWRIGSGKE-LLVKDONJSA-N 1 2 221.304 0.736 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093050749 344307677 /nfs/dbraw/zinc/30/76/77/344307677.db2.gz STDCLUWRIGSGKE-LLVKDONJSA-N 1 2 221.304 0.736 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC(F)F)C[C@H]1C ZINC000251807647 344426202 /nfs/dbraw/zinc/42/62/02/344426202.db2.gz OHNUZXKVOVDDOR-RNFRBKRXSA-N 1 2 207.220 0.992 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC(F)F)C[C@H]1C ZINC000251807647 344426206 /nfs/dbraw/zinc/42/62/06/344426206.db2.gz OHNUZXKVOVDDOR-RNFRBKRXSA-N 1 2 207.220 0.992 20 0 BCADLO COC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620612462 344368475 /nfs/dbraw/zinc/36/84/75/344368475.db2.gz WEYULOCWJRNNEW-QMMMGPOBSA-N 1 2 223.276 0.776 20 0 BCADLO CN1C[C@@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641385931 362386592 /nfs/dbraw/zinc/38/65/92/362386592.db2.gz WXWUHIUPMFZXKP-VIFPVBQESA-N 1 2 221.260 0.217 20 0 BCADLO CN1CCN(c2cc[nH+]cc2F)CC1=O ZINC000641391916 362389984 /nfs/dbraw/zinc/38/99/84/362389984.db2.gz QITGBUDASTVJLA-UHFFFAOYSA-N 1 2 209.224 0.499 20 0 BCADLO C[C@H](CCO)SCC(=O)N1CC[NH+](C)CC1 ZINC000085145946 344504293 /nfs/dbraw/zinc/50/42/93/344504293.db2.gz NORRKUYVVLECAD-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1ncnc2c1C[N@H+](C)CC2 ZINC000408292630 344465938 /nfs/dbraw/zinc/46/59/38/344465938.db2.gz UGTXXANSSNTWEQ-ZJUUUORDSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000408292630 344465941 /nfs/dbraw/zinc/46/59/41/344465941.db2.gz UGTXXANSSNTWEQ-ZJUUUORDSA-N 1 2 248.330 0.424 20 0 BCADLO CN(Cc1cc[nH]n1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900979 529981641 /nfs/dbraw/zinc/98/16/41/529981641.db2.gz OJGMOMIKMBBAJB-IHWYPQMZSA-N 1 2 231.259 0.805 20 0 BCADLO O[C@@H]1C[C@H](O)CN(c2cc[nH+]cc2F)C1 ZINC000641410099 362401044 /nfs/dbraw/zinc/40/10/44/362401044.db2.gz AOGAQQFQOVCEJP-OCAPTIKFSA-N 1 2 212.224 0.153 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc[nH+]cc1F ZINC000641419502 362407105 /nfs/dbraw/zinc/40/71/05/362407105.db2.gz VWWZFBPZIHSVCK-VIFPVBQESA-N 1 2 223.251 0.936 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000641415764 362402378 /nfs/dbraw/zinc/40/23/78/362402378.db2.gz YSCDSFMJUPQRQM-SECBINFHSA-N 1 2 237.303 0.392 20 0 BCADLO OCc1cc[nH+]c(NC[C@]2(O)CCSC2)c1 ZINC000641413951 362404697 /nfs/dbraw/zinc/40/46/97/362404697.db2.gz AKLJNHPZKLKJNN-LLVKDONJSA-N 1 2 240.328 0.854 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc(CO)cc[nH+]1 ZINC000641419481 362405563 /nfs/dbraw/zinc/40/55/63/362405563.db2.gz VQJKTSCHTZEQOH-JTQLQIEISA-N 1 2 235.287 0.289 20 0 BCADLO OCc1cc[nH+]c(N[C@@H]2C=C[C@H](CO)C2)c1 ZINC000641414418 362405934 /nfs/dbraw/zinc/40/59/34/362405934.db2.gz CTAWJPZWNWBYLC-GXSJLCMTSA-N 1 2 220.272 0.923 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cc[nH+]cc1F ZINC000641419501 362407025 /nfs/dbraw/zinc/40/70/25/362407025.db2.gz VWWZFBPZIHSVCK-SECBINFHSA-N 1 2 223.251 0.936 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCC1(CO)CC1 ZINC000395830340 344564603 /nfs/dbraw/zinc/56/46/03/344564603.db2.gz CAFDPKGOTTVZSK-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1c1cc[nH+]cc1F ZINC000641438608 362418997 /nfs/dbraw/zinc/41/89/97/362418997.db2.gz DXVZEQMVLRMZMQ-RKDXNWHRSA-N 1 2 226.251 0.807 20 0 BCADLO CCC(=O)N1CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641441480 362420786 /nfs/dbraw/zinc/42/07/86/362420786.db2.gz LOVZXPBZKUJVDT-NSHDSACASA-N 1 2 249.314 0.997 20 0 BCADLO OCc1cc[nH+]c(NC2(CO)CCC2)c1 ZINC000641447631 362424554 /nfs/dbraw/zinc/42/45/54/362424554.db2.gz PLFHYGPDNKBMFF-UHFFFAOYSA-N 1 2 208.261 0.901 20 0 BCADLO CNC(=O)[C@@H](Nc1cc[nH+]cc1F)C(C)C ZINC000641450008 362424864 /nfs/dbraw/zinc/42/48/64/362424864.db2.gz AMMHHGLNBYVCMV-JTQLQIEISA-N 1 2 225.267 0.825 20 0 BCADLO CN(CC(C)(CO)CO)c1cc(CO)cc[nH+]1 ZINC000641448461 362424947 /nfs/dbraw/zinc/42/49/47/362424947.db2.gz CCMQKSLAYQKVIV-UHFFFAOYSA-N 1 2 240.303 0.001 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCCO1 ZINC000641450395 362425450 /nfs/dbraw/zinc/42/54/50/362425450.db2.gz SNQBMBSPEODGDP-UHFFFAOYSA-N 1 2 245.304 0.240 20 0 BCADLO CC(C)=CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641453812 362427232 /nfs/dbraw/zinc/42/72/32/362427232.db2.gz ZHRNXTBEGGPOMW-UHFFFAOYSA-N 1 2 243.332 0.769 20 0 BCADLO O[C@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641460797 362433950 /nfs/dbraw/zinc/43/39/50/362433950.db2.gz COUTXSVJXCPUJZ-JTQLQIEISA-N 1 2 212.224 0.206 20 0 BCADLO CN(C)C(=O)NCCNc1cc(CO)cc[nH+]1 ZINC000641475471 362443665 /nfs/dbraw/zinc/44/36/65/362443665.db2.gz MLLIVULYSSEMMN-UHFFFAOYSA-N 1 2 238.291 0.257 20 0 BCADLO CN1CCC[C@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000641436958 362417406 /nfs/dbraw/zinc/41/74/06/362417406.db2.gz IXSPYTYJOHURQW-JTQLQIEISA-N 1 2 235.287 0.607 20 0 BCADLO Cn1c[nH+]c(CSc2ncnn2C)c1 ZINC000641480415 362451303 /nfs/dbraw/zinc/45/13/03/362451303.db2.gz YJZXHMXHRXFSDH-UHFFFAOYSA-N 1 2 209.278 0.841 20 0 BCADLO O=C1CCC[C@H](CNc2cc[nH+]cc2F)N1 ZINC000641544590 362492327 /nfs/dbraw/zinc/49/23/27/362492327.db2.gz ZINWYSBXUQXRJM-MRVPVSSYSA-N 1 2 223.251 0.723 20 0 BCADLO Cn1ccc(CCNc2cc(CO)cc[nH+]2)n1 ZINC000641487947 362455975 /nfs/dbraw/zinc/45/59/75/362455975.db2.gz BCVMSGQOERWRQK-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO CCN(C)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000641500861 362462851 /nfs/dbraw/zinc/46/28/51/362462851.db2.gz YHJDWYLIGQUTHK-UHFFFAOYSA-N 1 2 223.276 0.464 20 0 BCADLO C[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000641512570 362470153 /nfs/dbraw/zinc/47/01/53/362470153.db2.gz IUTOUVWLTCKCTC-UWVGGRQHSA-N 1 2 243.332 0.553 20 0 BCADLO OCc1cc[nH+]c(N2CC(F)(F)C[C@H]2CO)c1 ZINC000641518534 362471941 /nfs/dbraw/zinc/47/19/41/362471941.db2.gz FZYVWPAKAVHYSE-VIFPVBQESA-N 1 2 244.241 0.780 20 0 BCADLO C[C@H](Nc1cc[nH+]cc1F)c1ncn(C)n1 ZINC000641518531 362472459 /nfs/dbraw/zinc/47/24/59/362472459.db2.gz FVRGBJRCILMDST-ZETCQYMHSA-N 1 2 221.239 0.944 20 0 BCADLO Cc1cc(C)c(Cn2nnn(C)c2=O)c(C)[nH+]1 ZINC000641521603 362478666 /nfs/dbraw/zinc/47/86/66/362478666.db2.gz OOMHBAXGBBUGCU-UHFFFAOYSA-N 1 2 233.275 0.345 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCO1 ZINC000290514421 537851877 /nfs/dbraw/zinc/85/18/77/537851877.db2.gz IUIXPTCGTSWVMG-SNVBAGLBSA-N 1 2 238.291 0.398 20 0 BCADLO O=C1C[C@@]2(CCN(c3cc(CO)cc[nH+]3)C2)CN1 ZINC000641544308 362491001 /nfs/dbraw/zinc/49/10/01/362491001.db2.gz UVFKONFMFAWEAH-ZDUSSCGKSA-N 1 2 247.298 0.290 20 0 BCADLO CCOC(=O)C[N@H+](CCC(=O)NC)C1CC1 ZINC000049573353 344653982 /nfs/dbraw/zinc/65/39/82/344653982.db2.gz WHGAURCOCNLKTK-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@@H+](CCC(=O)NC)C1CC1 ZINC000049573353 344653984 /nfs/dbraw/zinc/65/39/84/344653984.db2.gz WHGAURCOCNLKTK-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO CCc1nc(C[NH2+]CC(=O)N(C)C)cs1 ZINC000049591175 344655755 /nfs/dbraw/zinc/65/57/55/344655755.db2.gz FRVBVCREYSQEIC-UHFFFAOYSA-N 1 2 227.333 0.883 20 0 BCADLO CCc1nc(C[NH2+][C@H](C)C(=O)NC)cs1 ZINC000049591335 344655954 /nfs/dbraw/zinc/65/59/54/344655954.db2.gz VJKBNINAOWUGNY-SSDOTTSWSA-N 1 2 227.333 0.930 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000625999363 344661157 /nfs/dbraw/zinc/66/11/57/344661157.db2.gz QLTZHVBZJYDVIH-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000625999363 344661159 /nfs/dbraw/zinc/66/11/59/344661159.db2.gz QLTZHVBZJYDVIH-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000131 344661641 /nfs/dbraw/zinc/66/16/41/344661641.db2.gz JVXHWKFPKYMHJB-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000131 344661644 /nfs/dbraw/zinc/66/16/44/344661644.db2.gz JVXHWKFPKYMHJB-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000140 344661764 /nfs/dbraw/zinc/66/17/64/344661764.db2.gz JYUBMFUVIJUDPH-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000140 344661765 /nfs/dbraw/zinc/66/17/65/344661765.db2.gz JYUBMFUVIJUDPH-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002556 344662838 /nfs/dbraw/zinc/66/28/38/344662838.db2.gz PXOOCFKTSVNWAJ-DTWKUNHWSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626002556 344662839 /nfs/dbraw/zinc/66/28/39/344662839.db2.gz PXOOCFKTSVNWAJ-DTWKUNHWSA-N 1 2 218.272 0.311 20 0 BCADLO FCC[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000626002562 344663025 /nfs/dbraw/zinc/66/30/25/344663025.db2.gz PXWHJHNVVYEFPV-LBPRGKRZSA-N 1 2 246.326 0.379 20 0 BCADLO FCC[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000626002613 344663063 /nfs/dbraw/zinc/66/30/63/344663063.db2.gz QZXBVOAYKADMPI-JTQLQIEISA-N 1 2 228.271 0.339 20 0 BCADLO FCC[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000626002613 344663065 /nfs/dbraw/zinc/66/30/65/344663065.db2.gz QZXBVOAYKADMPI-JTQLQIEISA-N 1 2 228.271 0.339 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@H](CCF)C1 ZINC000626002940 344663757 /nfs/dbraw/zinc/66/37/57/344663757.db2.gz XGMDPBZNJUOVFT-SNVBAGLBSA-N 1 2 227.283 0.981 20 0 BCADLO FCC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626006075 344664494 /nfs/dbraw/zinc/66/44/94/344664494.db2.gz QFORNRZKOSNQJP-JTQLQIEISA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626006075 344664496 /nfs/dbraw/zinc/66/44/96/344664496.db2.gz QFORNRZKOSNQJP-JTQLQIEISA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000626005379 344667383 /nfs/dbraw/zinc/66/73/83/344667383.db2.gz BNNIDPRQEXNXIW-SNVBAGLBSA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000626005379 344667384 /nfs/dbraw/zinc/66/73/84/344667384.db2.gz BNNIDPRQEXNXIW-SNVBAGLBSA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000626005379 344667385 /nfs/dbraw/zinc/66/73/85/344667385.db2.gz BNNIDPRQEXNXIW-SNVBAGLBSA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000626005379 344667386 /nfs/dbraw/zinc/66/73/86/344667386.db2.gz BNNIDPRQEXNXIW-SNVBAGLBSA-N 1 2 228.271 0.408 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@H](CCF)C2)c1 ZINC000626005376 344667465 /nfs/dbraw/zinc/66/74/65/344667465.db2.gz BLMRZKSRGYQUEW-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+](C)CCO ZINC000049633935 344671473 /nfs/dbraw/zinc/67/14/73/344671473.db2.gz KHZKMASLYBUION-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+](C)CCO ZINC000049633935 344671474 /nfs/dbraw/zinc/67/14/74/344671474.db2.gz KHZKMASLYBUION-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N[C@H](CC2CC2)C1=O ZINC000349014978 344672596 /nfs/dbraw/zinc/67/25/96/344672596.db2.gz LUHVVXLTNYOORA-SNVBAGLBSA-N 1 2 248.286 0.641 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@H](C)C(N)=O)C2 ZINC000626020952 344676761 /nfs/dbraw/zinc/67/67/61/344676761.db2.gz IKLKQFMUAMGNDQ-MRVPVSSYSA-N 1 2 220.272 0.885 20 0 BCADLO COc1cccc2c1C[N@H+]([C@H](C)C(N)=O)C2 ZINC000626020952 344676763 /nfs/dbraw/zinc/67/67/63/344676763.db2.gz IKLKQFMUAMGNDQ-MRVPVSSYSA-N 1 2 220.272 0.885 20 0 BCADLO CCCc1noc(C[N@H+](CC)CCO)n1 ZINC000050105262 344720209 /nfs/dbraw/zinc/72/02/09/344720209.db2.gz BXJMLJWIWDXLSS-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCCc1noc(C[N@@H+](CC)CCO)n1 ZINC000050105262 344720214 /nfs/dbraw/zinc/72/02/14/344720214.db2.gz BXJMLJWIWDXLSS-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)ccn1 ZINC000626075675 344721714 /nfs/dbraw/zinc/72/17/14/344721714.db2.gz PYCQCJNHNOTFDX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)ccn1 ZINC000626075675 344721716 /nfs/dbraw/zinc/72/17/16/344721716.db2.gz PYCQCJNHNOTFDX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626077693 344722565 /nfs/dbraw/zinc/72/25/65/344722565.db2.gz PBMWODCVOVTWCP-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626077693 344722566 /nfs/dbraw/zinc/72/25/66/344722566.db2.gz PBMWODCVOVTWCP-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO C[C@@H](NC(=O)c1cnn(C)c1)c1[nH+]ccn1C ZINC000082279311 344713970 /nfs/dbraw/zinc/71/39/70/344713970.db2.gz LUYCVOAVZAWRID-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO CC(=O)[C@](C)(O)CN1CC[NH+](CCCF)CC1 ZINC000626070069 344714763 /nfs/dbraw/zinc/71/47/63/344714763.db2.gz YJBMTDLJPODEMB-GFCCVEGCSA-N 1 2 246.326 0.304 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCSC1 ZINC000494953825 530024265 /nfs/dbraw/zinc/02/42/65/530024265.db2.gz JZHZTCMUMNSUJN-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCSC1 ZINC000494953825 530024266 /nfs/dbraw/zinc/02/42/66/530024266.db2.gz JZHZTCMUMNSUJN-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2n[nH]cc21 ZINC000487807409 530026396 /nfs/dbraw/zinc/02/63/96/530026396.db2.gz CAEVQOVPZVLCQW-UHFFFAOYSA-N 1 2 229.247 0.712 20 0 BCADLO CN(Cc1[nH+]ccn1C)C[C@H]1CN(C)C(=O)O1 ZINC000496176424 530027512 /nfs/dbraw/zinc/02/75/12/530027512.db2.gz CKASPTQZVKEJAQ-VIFPVBQESA-N 1 2 238.291 0.303 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)n1cccn1 ZINC000075848805 344785486 /nfs/dbraw/zinc/78/54/86/344785486.db2.gz VKCYTAKGRBCDDS-GHMZBOCLSA-N 1 2 247.302 0.846 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)n1cccn1 ZINC000075848807 344785554 /nfs/dbraw/zinc/78/55/54/344785554.db2.gz VKCYTAKGRBCDDS-MNOVXSKESA-N 1 2 247.302 0.846 20 0 BCADLO CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076048843 344793462 /nfs/dbraw/zinc/79/34/62/344793462.db2.gz KRXXKZZCGGZUMS-QMMMGPOBSA-N 1 2 208.265 0.929 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291299177 537859110 /nfs/dbraw/zinc/85/91/10/537859110.db2.gz SFIDMHLRTYAPOH-ZJUUUORDSA-N 1 2 223.276 0.461 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncncc2Cl)CC1 ZINC000175078713 530070176 /nfs/dbraw/zinc/07/01/76/530070176.db2.gz IRRYXBFYADJPLV-UHFFFAOYSA-N 1 2 240.694 0.518 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@@H]2C(=O)NC2CC2)[nH+]1 ZINC000628140810 344803460 /nfs/dbraw/zinc/80/34/60/344803460.db2.gz YTKKNEWLUPSUDR-LLVKDONJSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1c[nH]c(CN(CC(N)=O)CC(C)C)[nH+]1 ZINC000628140467 344805530 /nfs/dbraw/zinc/80/55/30/344805530.db2.gz LUFMJMSNFDCPGE-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177490 344810280 /nfs/dbraw/zinc/81/02/80/344810280.db2.gz NNSXRTRUGHQCEB-IEVXNVSRSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177490 344810281 /nfs/dbraw/zinc/81/02/81/344810281.db2.gz NNSXRTRUGHQCEB-IEVXNVSRSA-N 1 2 247.360 0.781 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)CCn1cc[nH+]c1 ZINC000076968024 344811913 /nfs/dbraw/zinc/81/19/13/344811913.db2.gz RORUZXBEBVJXPQ-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc(C)o1 ZINC000628148974 344835674 /nfs/dbraw/zinc/83/56/74/344835674.db2.gz HWFPZIKWZQWSJG-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc(C)o1 ZINC000628148974 344835678 /nfs/dbraw/zinc/83/56/78/344835678.db2.gz HWFPZIKWZQWSJG-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO C[C@@H](NC(=O)c1cc(=O)[nH]cn1)c1[nH+]ccn1C ZINC000628148984 344835736 /nfs/dbraw/zinc/83/57/36/344835736.db2.gz IEIHYWWFHHPPGN-SSDOTTSWSA-N 1 2 247.258 0.407 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000628147927 344833166 /nfs/dbraw/zinc/83/31/66/344833166.db2.gz ASBULRJKHOJJNG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC000628147927 344833170 /nfs/dbraw/zinc/83/31/70/344833170.db2.gz ASBULRJKHOJJNG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)[C@H]2C)[nH+]c1C ZINC000628158303 344853302 /nfs/dbraw/zinc/85/33/02/344853302.db2.gz KLJVNEWLRDJMOZ-SECBINFHSA-N 1 2 222.292 0.347 20 0 BCADLO C[C@@]1(C(N)=O)CCN(c2cc[nH+]cc2F)C1 ZINC000641547791 362495616 /nfs/dbraw/zinc/49/56/16/362495616.db2.gz VHLDSCWJRSGYIR-LLVKDONJSA-N 1 2 223.251 0.922 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000078295009 344843502 /nfs/dbraw/zinc/84/35/02/344843502.db2.gz KSKUAQOKXHNWRU-SECBINFHSA-N 1 2 220.276 0.452 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628162784 344861966 /nfs/dbraw/zinc/86/19/66/344861966.db2.gz DTQGJPSNCJYZGO-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628162784 344861969 /nfs/dbraw/zinc/86/19/69/344861969.db2.gz DTQGJPSNCJYZGO-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CNC(=O)CCN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628162784 344861971 /nfs/dbraw/zinc/86/19/71/344861971.db2.gz DTQGJPSNCJYZGO-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO Cc1nc(N2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000408240497 344867501 /nfs/dbraw/zinc/86/75/01/344867501.db2.gz NJYUEJQMSUFVKR-QMMMGPOBSA-N 1 2 206.249 0.239 20 0 BCADLO Cc1nnc2n1CCN(Cc1[nH]c(C)c(C)[nH+]1)C2 ZINC000628165966 344877794 /nfs/dbraw/zinc/87/77/94/344877794.db2.gz UGSQNEBIGCBNIM-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO CC(C)OCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000078535193 344881357 /nfs/dbraw/zinc/88/13/57/344881357.db2.gz LGTILTJIPWHJAL-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)OCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000078535193 344881360 /nfs/dbraw/zinc/88/13/60/344881360.db2.gz LGTILTJIPWHJAL-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000352770730 192079821 /nfs/dbraw/zinc/07/98/21/192079821.db2.gz UAAVJKFEUBRLEN-QWRGUYRKSA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000352770730 192079823 /nfs/dbraw/zinc/07/98/23/192079823.db2.gz UAAVJKFEUBRLEN-QWRGUYRKSA-N 1 2 238.335 0.747 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1[nH]c(C)c(C)[nH+]1)C2 ZINC000628178020 344907063 /nfs/dbraw/zinc/90/70/63/344907063.db2.gz ZVBVCTLAJAIJCP-UHFFFAOYSA-N 1 2 246.318 0.942 20 0 BCADLO C[C@H](CC(=O)NCc1c[nH+]cn1C)n1cccn1 ZINC000424819754 192081484 /nfs/dbraw/zinc/08/14/84/192081484.db2.gz AUIASHMUMTUMMN-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO C[N@@H+]1CC=C(CNc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000392258780 487535579 /nfs/dbraw/zinc/53/55/79/487535579.db2.gz DCKHXTYYNSUSEM-UHFFFAOYSA-N 1 2 247.298 0.876 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628180038 344916127 /nfs/dbraw/zinc/91/61/27/344916127.db2.gz ZKOONKRHRWBNJE-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628180038 344916129 /nfs/dbraw/zinc/91/61/29/344916129.db2.gz ZKOONKRHRWBNJE-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000078880863 344916848 /nfs/dbraw/zinc/91/68/48/344916848.db2.gz YHPLZNRQVVYLLZ-UHFFFAOYSA-N 1 2 231.259 0.696 20 0 BCADLO CN(Cc1ccon1)C(=O)Cn1cc[nH+]c1 ZINC000583415011 344918773 /nfs/dbraw/zinc/91/87/73/344918773.db2.gz UNHYYWUBXQWDQU-UHFFFAOYSA-N 1 2 220.232 0.530 20 0 BCADLO C[N@H+]1CC=C(CNc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000392258780 487535572 /nfs/dbraw/zinc/53/55/72/487535572.db2.gz DCKHXTYYNSUSEM-UHFFFAOYSA-N 1 2 247.298 0.876 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CCCO1 ZINC000153766872 344970959 /nfs/dbraw/zinc/97/09/59/344970959.db2.gz GSURUQBHGNVAFD-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO Cc1[nH]c(CN2CCN3C(=O)NC[C@@H]3C2)[nH+]c1C ZINC000628189766 344942117 /nfs/dbraw/zinc/94/21/17/344942117.db2.gz MKCCCPBHSXDXIU-SNVBAGLBSA-N 1 2 249.318 0.236 20 0 BCADLO CC[C@@H](O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000123250620 344991561 /nfs/dbraw/zinc/99/15/61/344991561.db2.gz WMHCEMLNKGHUIX-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000660832988 537882590 /nfs/dbraw/zinc/88/25/90/537882590.db2.gz JAJOVAQAQDEBDV-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000660832988 537882598 /nfs/dbraw/zinc/88/25/98/537882598.db2.gz JAJOVAQAQDEBDV-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H](Nc1cc[nH+]cc1F)C(=O)NCCF ZINC000641556706 362500121 /nfs/dbraw/zinc/50/01/21/362500121.db2.gz XCJKHNFCMOTZOJ-SSDOTTSWSA-N 1 2 229.230 0.529 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2nnnn2C)C1 ZINC000408278357 345023223 /nfs/dbraw/zinc/02/32/23/345023223.db2.gz VJKODOWKZBBFOD-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408278357 345023224 /nfs/dbraw/zinc/02/32/24/345023224.db2.gz VJKODOWKZBBFOD-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000408278632 345024843 /nfs/dbraw/zinc/02/48/43/345024843.db2.gz XJCHHPNQNLOTLN-MRTMQBJTSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000408278632 345024846 /nfs/dbraw/zinc/02/48/46/345024846.db2.gz XJCHHPNQNLOTLN-MRTMQBJTSA-N 1 2 212.293 0.360 20 0 BCADLO CC[C@@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000079767306 345033642 /nfs/dbraw/zinc/03/36/42/345033642.db2.gz QSAXNBYCURLZCG-SECBINFHSA-N 1 2 201.266 0.395 20 0 BCADLO CC[C@@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000079767306 345033645 /nfs/dbraw/zinc/03/36/45/345033645.db2.gz QSAXNBYCURLZCG-SECBINFHSA-N 1 2 201.266 0.395 20 0 BCADLO c1nnc2n1CC[N@@H+](Cc1ccncc1)C2 ZINC000155176819 345072811 /nfs/dbraw/zinc/07/28/11/345072811.db2.gz JZCSITAFTWAMDM-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1nnc2n1CC[N@H+](Cc1ccncc1)C2 ZINC000155176819 345072813 /nfs/dbraw/zinc/07/28/13/345072813.db2.gz JZCSITAFTWAMDM-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO COC[C@](C)(O)CCNc1cc[nH+]cc1F ZINC000641614460 362550668 /nfs/dbraw/zinc/55/06/68/362550668.db2.gz JYIZOFJEDKWMFI-LLVKDONJSA-N 1 2 228.267 0.842 20 0 BCADLO CCN1C[C@@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641620160 362551698 /nfs/dbraw/zinc/55/16/98/362551698.db2.gz OEPDRBCQSOFAPS-QMMMGPOBSA-N 1 2 223.251 0.675 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)NC(C)C ZINC000155310638 345077180 /nfs/dbraw/zinc/07/71/80/345077180.db2.gz HYTFAAZAOOQVLU-UHFFFAOYSA-N 1 2 237.259 0.553 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641585579 362523962 /nfs/dbraw/zinc/52/39/62/362523962.db2.gz BKGMMKZKNUZKBJ-KBVBSXBZSA-N 1 2 235.287 0.182 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641585579 362523969 /nfs/dbraw/zinc/52/39/69/362523969.db2.gz BKGMMKZKNUZKBJ-KBVBSXBZSA-N 1 2 235.287 0.182 20 0 BCADLO CC(C)(C(=O)N1C[C@H]2C[C@@]2(O)C1)c1c[nH+]c[nH]1 ZINC000641584070 362526367 /nfs/dbraw/zinc/52/63/67/362526367.db2.gz SVBQYCQWPPELRU-PRHODGIISA-N 1 2 235.287 0.281 20 0 BCADLO OCc1cc[nH+]c(NC[C@H]2CC[C@@H](CO)O2)c1 ZINC000641607868 362544459 /nfs/dbraw/zinc/54/44/59/362544459.db2.gz DHHABPPVJQOFRI-MNOVXSKESA-N 1 2 238.287 0.526 20 0 BCADLO C[C@@H](O)[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641637430 362568420 /nfs/dbraw/zinc/56/84/20/362568420.db2.gz JWSFBDAVKJGRDH-MWLCHTKSSA-N 1 2 238.287 0.160 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000155984341 345117311 /nfs/dbraw/zinc/11/73/11/345117311.db2.gz DZKARRCELOWWFR-KHVHVRLGSA-N 1 2 238.740 0.362 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000155984341 345117313 /nfs/dbraw/zinc/11/73/13/345117313.db2.gz DZKARRCELOWWFR-KHVHVRLGSA-N 1 2 238.740 0.362 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nnnn1C ZINC000579665440 345120268 /nfs/dbraw/zinc/12/02/68/345120268.db2.gz SSNPMYACNDEZSJ-UHFFFAOYSA-N 1 2 247.306 0.379 20 0 BCADLO CCN1C[C@H](CNc2cc(CO)cc[nH+]2)CC1=O ZINC000641650427 362575386 /nfs/dbraw/zinc/57/53/86/362575386.db2.gz VFHIERDPZCUHJU-NSHDSACASA-N 1 2 249.314 0.854 20 0 BCADLO Cc1cc(NC(=O)CCS(C)(=O)=O)cc[nH+]1 ZINC000074624703 345091791 /nfs/dbraw/zinc/09/17/91/345091791.db2.gz PZBWKJONZFKTQI-UHFFFAOYSA-N 1 2 242.300 0.763 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCSC[C@@H]2C(N)=O)O1 ZINC000408305364 345097698 /nfs/dbraw/zinc/09/76/98/345097698.db2.gz JIOSGTZQFVNNGY-OPRDCNLKSA-N 1 2 244.360 0.457 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCSC[C@@H]2C(N)=O)O1 ZINC000408305364 345097702 /nfs/dbraw/zinc/09/77/02/345097702.db2.gz JIOSGTZQFVNNGY-OPRDCNLKSA-N 1 2 244.360 0.457 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cc[nH+]cc1F ZINC000641649476 362576013 /nfs/dbraw/zinc/57/60/13/362576013.db2.gz FVHHSJJBUWYENO-DTWKUNHWSA-N 1 2 226.251 0.807 20 0 BCADLO O[C@@]1(CCNc2cc[nH+]cc2F)CCCOC1 ZINC000641654180 362577021 /nfs/dbraw/zinc/57/70/21/362577021.db2.gz XUFXOPFRLZFEFD-GFCCVEGCSA-N 1 2 240.278 0.986 20 0 BCADLO OCc1cc[nH+]c(NCC[C@]2(O)CCOC2)c1 ZINC000641649524 362577881 /nfs/dbraw/zinc/57/78/81/362577881.db2.gz HVWWTPOZEUUYBD-LBPRGKRZSA-N 1 2 238.287 0.527 20 0 BCADLO CO[C@](C)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641655125 362579078 /nfs/dbraw/zinc/57/90/78/362579078.db2.gz CZKIGVIQCXVBDF-NSHDSACASA-N 1 2 226.276 0.383 20 0 BCADLO Cc1nc(N2CCN(c3nc[nH]n3)CC2)cc[nH+]1 ZINC000641652687 362580242 /nfs/dbraw/zinc/58/02/42/362580242.db2.gz DKUPDNKBMVHENE-UHFFFAOYSA-N 1 2 245.290 0.230 20 0 BCADLO CCO[C@@H]1COC[C@H]1Nc1cc[nH+]cc1F ZINC000641624553 362556367 /nfs/dbraw/zinc/55/63/67/362556367.db2.gz NEZMDVJXVGRHHH-GHMZBOCLSA-N 1 2 226.251 0.858 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000158858451 187300672 /nfs/dbraw/zinc/30/06/72/187300672.db2.gz RUCLKIYZEGJMOR-ZETCQYMHSA-N 1 2 243.332 0.914 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000158858451 187300674 /nfs/dbraw/zinc/30/06/74/187300674.db2.gz RUCLKIYZEGJMOR-ZETCQYMHSA-N 1 2 243.332 0.914 20 0 BCADLO O=C1CC[C@H](Nc2cc(CO)cc[nH+]2)CCN1 ZINC000641633519 362562098 /nfs/dbraw/zinc/56/20/98/362562098.db2.gz DKZUNCOSSFSQHZ-JTQLQIEISA-N 1 2 235.287 0.655 20 0 BCADLO O=C1C[C@@H](CNc2cc[nH+]cc2F)CN1 ZINC000641631514 362562771 /nfs/dbraw/zinc/56/27/71/362562771.db2.gz DQVUHNTWSCKUMW-ZETCQYMHSA-N 1 2 209.224 0.191 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CO1 ZINC000162241753 201794319 /nfs/dbraw/zinc/79/43/19/201794319.db2.gz KKVOWRAFOJKZFR-HTQZYQBOSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CO1 ZINC000162241753 201794326 /nfs/dbraw/zinc/79/43/26/201794326.db2.gz KKVOWRAFOJKZFR-HTQZYQBOSA-N 1 2 209.249 0.451 20 0 BCADLO CC(C)NC(=O)[C@H](C)Nc1cc[nH+]cc1F ZINC000641635429 362564750 /nfs/dbraw/zinc/56/47/50/362564750.db2.gz GPTJIWRUMSTTTC-QMMMGPOBSA-N 1 2 225.267 0.968 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641633869 362565134 /nfs/dbraw/zinc/56/51/34/362565134.db2.gz UIWHAJJIOJDETP-MNOVXSKESA-N 1 2 228.267 0.576 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641639560 362567262 /nfs/dbraw/zinc/56/72/62/362567262.db2.gz IYBFMMLZCCXUSM-VIFPVBQESA-N 1 2 223.251 0.936 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1ccon1 ZINC000634983568 345166366 /nfs/dbraw/zinc/16/63/66/345166366.db2.gz RVUOJBKNJXQONH-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@](C)(O)C1 ZINC000408329054 345179673 /nfs/dbraw/zinc/17/96/73/345179673.db2.gz XRKXNVIQVXSWPN-NSHDSACASA-N 1 2 238.291 0.086 20 0 BCADLO COCCN(C)CC[NH2+]Cc1ccon1 ZINC000634957887 345131717 /nfs/dbraw/zinc/13/17/17/345131717.db2.gz AGCCKJRXQFQHOZ-UHFFFAOYSA-N 1 2 213.281 0.342 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccon1 ZINC000634977963 345154792 /nfs/dbraw/zinc/15/47/92/345154792.db2.gz PLRAEDNIPQRZBK-QMMMGPOBSA-N 1 2 211.265 0.631 20 0 BCADLO CS(=O)(=O)C1(C[NH2+]Cc2ccon2)CCC1 ZINC000634978945 345158010 /nfs/dbraw/zinc/15/80/10/345158010.db2.gz QULSLMRWWHXYOH-UHFFFAOYSA-N 1 2 244.316 0.732 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H]2CCCO2)[nH+]1 ZINC000635060197 345230383 /nfs/dbraw/zinc/23/03/83/345230383.db2.gz TZDVHMJLFHDFJQ-JTQLQIEISA-N 1 2 237.303 0.810 20 0 BCADLO C[C@@H](C[S@](C)=O)Nc1cc[nH+]cc1F ZINC000603332656 349925675 /nfs/dbraw/zinc/92/56/75/349925675.db2.gz BQUKJRALFFWXIP-WJWGPLDTSA-N 1 2 216.281 0.822 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCOCC2)[nH+]1 ZINC000635062633 345234097 /nfs/dbraw/zinc/23/40/97/345234097.db2.gz BNFHZCIPRILLDX-UHFFFAOYSA-N 1 2 223.276 0.373 20 0 BCADLO COCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635067046 345235728 /nfs/dbraw/zinc/23/57/28/345235728.db2.gz IPJYTIQGCABTSF-RKDXNWHRSA-N 1 2 223.276 0.666 20 0 BCADLO COCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635067046 345235731 /nfs/dbraw/zinc/23/57/31/345235731.db2.gz IPJYTIQGCABTSF-RKDXNWHRSA-N 1 2 223.276 0.666 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)COC)[nH+]1 ZINC000635078202 345242360 /nfs/dbraw/zinc/24/23/60/345242360.db2.gz PPBFISNJGDCZSH-MRVPVSSYSA-N 1 2 225.292 0.666 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H](O)C1 ZINC000635120111 345251579 /nfs/dbraw/zinc/25/15/79/345251579.db2.gz TWESDDVJVXQMQB-JGZJWPJOSA-N 1 2 245.282 0.721 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635126354 345252934 /nfs/dbraw/zinc/25/29/34/345252934.db2.gz BILNEAOQKOPKDN-DTORHVGOSA-N 1 2 223.276 0.149 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC[C@H](O)C2)[nH+]1 ZINC000635248139 345284286 /nfs/dbraw/zinc/28/42/86/345284286.db2.gz HSISICSMNHFFDF-JTQLQIEISA-N 1 2 237.303 0.498 20 0 BCADLO CC(C)C[C@H](C(=O)NC[C@H](C)O)n1cc[nH+]c1 ZINC000635248919 345286295 /nfs/dbraw/zinc/28/62/95/345286295.db2.gz OVPMTCYDAVFORJ-WDEREUQCSA-N 1 2 239.319 0.967 20 0 BCADLO CC(C)C[C@H](C(=O)NC[C@@H](C)O)n1cc[nH+]c1 ZINC000635248911 345286307 /nfs/dbraw/zinc/28/63/07/345286307.db2.gz OVPMTCYDAVFORJ-GHMZBOCLSA-N 1 2 239.319 0.967 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@@H](C)CO)cc2[nH+]1 ZINC000635249508 345286587 /nfs/dbraw/zinc/28/65/87/345286587.db2.gz CKBIYRBKPGNAJO-VIFPVBQESA-N 1 2 233.271 0.753 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)n[nH]c1C ZINC000131230348 345295439 /nfs/dbraw/zinc/29/54/39/345295439.db2.gz KKNPIDOBBKXCAO-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000131230348 345295442 /nfs/dbraw/zinc/29/54/42/345295442.db2.gz KKNPIDOBBKXCAO-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO COc1cnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000622583240 345297856 /nfs/dbraw/zinc/29/78/56/345297856.db2.gz PBHLCSYNPJYVJN-UHFFFAOYSA-N 1 2 238.272 0.987 20 0 BCADLO CCc1nnc(C[NH+]2CCC([C@H](C)O)CC2)[nH]1 ZINC000158517335 345343100 /nfs/dbraw/zinc/34/31/00/345343100.db2.gz AMMDVNYSBJDJJF-VIFPVBQESA-N 1 2 238.335 0.960 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000678810329 488285746 /nfs/dbraw/zinc/28/57/46/488285746.db2.gz ZGPRSMHVDWAKQJ-UHFFFAOYSA-N 1 2 244.245 0.666 20 0 BCADLO CSc1nc(NC(=O)[C@@H](C)[NH+](C)C)n[nH]1 ZINC000635454056 345379051 /nfs/dbraw/zinc/37/90/51/345379051.db2.gz BGDLPDLGAMATDZ-RXMQYKEDSA-N 1 2 229.309 0.415 20 0 BCADLO CSc1n[nH]c(NC(=O)[C@@H](C)[NH+](C)C)n1 ZINC000635454056 345379054 /nfs/dbraw/zinc/37/90/54/345379054.db2.gz BGDLPDLGAMATDZ-RXMQYKEDSA-N 1 2 229.309 0.415 20 0 BCADLO Cc1nnc(NCC[NH+]2CCOCC2)nc1C ZINC000158826297 345381185 /nfs/dbraw/zinc/38/11/85/345381185.db2.gz PAOPWVTXQGRQTO-UHFFFAOYSA-N 1 2 237.307 0.233 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635461823 345382423 /nfs/dbraw/zinc/38/24/23/345382423.db2.gz JXYQVMDPEWVBSY-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635461823 345382424 /nfs/dbraw/zinc/38/24/24/345382424.db2.gz JXYQVMDPEWVBSY-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO CC(C)(C)OCC(=O)NCC[NH+]1CCOCC1 ZINC000158442133 345334481 /nfs/dbraw/zinc/33/44/81/345334481.db2.gz XAJMWXYDALSDIZ-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC(O)CC1 ZINC000134809319 345422819 /nfs/dbraw/zinc/42/28/19/345422819.db2.gz REHFBGQIRAXHBG-UHFFFAOYSA-N 1 2 224.264 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC(O)CC1 ZINC000134809319 345422820 /nfs/dbraw/zinc/42/28/20/345422820.db2.gz REHFBGQIRAXHBG-UHFFFAOYSA-N 1 2 224.264 0.029 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](O)C2)[nH+]1 ZINC000080788150 345447436 /nfs/dbraw/zinc/44/74/36/345447436.db2.gz FIYFXWMLWZIZFF-MRVPVSSYSA-N 1 2 218.260 0.837 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000635486631 345394716 /nfs/dbraw/zinc/39/47/16/345394716.db2.gz JOYPOKWEKINUCI-AOOOYVTPSA-N 1 2 248.282 0.442 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000635536810 345494568 /nfs/dbraw/zinc/49/45/68/345494568.db2.gz XCBJGBOOEPMNRW-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000635536810 345494569 /nfs/dbraw/zinc/49/45/69/345494569.db2.gz XCBJGBOOEPMNRW-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1csnn1 ZINC000082269570 345499951 /nfs/dbraw/zinc/49/99/51/345499951.db2.gz LNQDNFOAQNQWJK-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO COC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000641674438 362591154 /nfs/dbraw/zinc/59/11/54/362591154.db2.gz JXTACLFAPDUZCN-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO COC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000641674596 362592659 /nfs/dbraw/zinc/59/26/59/362592659.db2.gz VMBOESPAGHURCG-QMMMGPOBSA-N 1 2 225.292 0.838 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CC(=O)N(C)C2)[nH+]1 ZINC000080976249 345457479 /nfs/dbraw/zinc/45/74/79/345457479.db2.gz AWJLJXWGYCTNJB-QMMMGPOBSA-N 1 2 245.286 0.909 20 0 BCADLO COCC[N@H+](CCC(C)(C)O)CC(=O)OC ZINC000081672259 345483849 /nfs/dbraw/zinc/48/38/49/345483849.db2.gz PGTIDNLEXJUSEM-UHFFFAOYSA-N 1 2 233.308 0.269 20 0 BCADLO COCC[N@@H+](CCC(C)(C)O)CC(=O)OC ZINC000081672259 345483851 /nfs/dbraw/zinc/48/38/51/345483851.db2.gz PGTIDNLEXJUSEM-UHFFFAOYSA-N 1 2 233.308 0.269 20 0 BCADLO C[N@H+](CCc1nccs1)Cc1n[nH]c(=O)[nH]1 ZINC000089264247 345552102 /nfs/dbraw/zinc/55/21/02/345552102.db2.gz YOIYBMICPRUAQW-UHFFFAOYSA-N 1 2 239.304 0.229 20 0 BCADLO C[N@@H+](CCc1nccs1)Cc1n[nH]c(=O)[nH]1 ZINC000089264247 345552104 /nfs/dbraw/zinc/55/21/04/345552104.db2.gz YOIYBMICPRUAQW-UHFFFAOYSA-N 1 2 239.304 0.229 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000090679597 345574325 /nfs/dbraw/zinc/57/43/25/345574325.db2.gz AACALOBMBHNQLC-SNVBAGLBSA-N 1 2 234.303 0.506 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000090679597 345574326 /nfs/dbraw/zinc/57/43/26/345574326.db2.gz AACALOBMBHNQLC-SNVBAGLBSA-N 1 2 234.303 0.506 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000090679595 345574767 /nfs/dbraw/zinc/57/47/67/345574767.db2.gz AACALOBMBHNQLC-JTQLQIEISA-N 1 2 234.303 0.506 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000090679595 345574771 /nfs/dbraw/zinc/57/47/71/345574771.db2.gz AACALOBMBHNQLC-JTQLQIEISA-N 1 2 234.303 0.506 20 0 BCADLO CN(CC(C)(CO)CO)c1cccc[nH+]1 ZINC000091503594 345595681 /nfs/dbraw/zinc/59/56/81/345595681.db2.gz ZSOYLSPSLAKJLP-UHFFFAOYSA-N 1 2 210.277 0.509 20 0 BCADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000043304629 349932383 /nfs/dbraw/zinc/93/23/83/349932383.db2.gz SMEJWGQPNNKFGT-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[N@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091540171 345597091 /nfs/dbraw/zinc/59/70/91/345597091.db2.gz INZVNVLYDYYXJO-UHFFFAOYSA-N 1 2 232.287 0.773 20 0 BCADLO C[N@@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091540171 345597092 /nfs/dbraw/zinc/59/70/92/345597092.db2.gz INZVNVLYDYYXJO-UHFFFAOYSA-N 1 2 232.287 0.773 20 0 BCADLO C[C@@H]1SCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000091579301 345598865 /nfs/dbraw/zinc/59/88/65/345598865.db2.gz RNUCUUOCCBHFBZ-BQBZGAKWSA-N 1 2 228.321 0.424 20 0 BCADLO C[C@@H]1SCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000091579301 345598869 /nfs/dbraw/zinc/59/88/69/345598869.db2.gz RNUCUUOCCBHFBZ-BQBZGAKWSA-N 1 2 228.321 0.424 20 0 BCADLO CSC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594500 345600532 /nfs/dbraw/zinc/60/05/32/345600532.db2.gz NVTHFKAOKAXHNK-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO CSC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594500 345600534 /nfs/dbraw/zinc/60/05/34/345600534.db2.gz NVTHFKAOKAXHNK-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092041318 345614377 /nfs/dbraw/zinc/61/43/77/345614377.db2.gz OLTSXRRGDOUPEY-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092041318 345614380 /nfs/dbraw/zinc/61/43/80/345614380.db2.gz OLTSXRRGDOUPEY-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(CO)o1 ZINC000092042059 345614809 /nfs/dbraw/zinc/61/48/09/345614809.db2.gz ZKPNITVGTGHLEZ-SKDRFNHKSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(CO)o1 ZINC000092042059 345614810 /nfs/dbraw/zinc/61/48/10/345614810.db2.gz ZKPNITVGTGHLEZ-SKDRFNHKSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(CO)o1 ZINC000092042061 345614890 /nfs/dbraw/zinc/61/48/90/345614890.db2.gz ZKPNITVGTGHLEZ-BXKDBHETSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(CO)o1 ZINC000092042061 345614892 /nfs/dbraw/zinc/61/48/92/345614892.db2.gz ZKPNITVGTGHLEZ-BXKDBHETSA-N 1 2 241.287 0.354 20 0 BCADLO Cc1ncccc1N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000622624944 345616583 /nfs/dbraw/zinc/61/65/83/345616583.db2.gz GMGFCDVGUSOVNK-GFCCVEGCSA-N 1 2 249.314 0.683 20 0 BCADLO Cc1ncccc1N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000622624944 345616586 /nfs/dbraw/zinc/61/65/86/345616586.db2.gz GMGFCDVGUSOVNK-GFCCVEGCSA-N 1 2 249.314 0.683 20 0 BCADLO O[C@@H]1COCC[C@H]1Nc1cc[nH+]cc1F ZINC000641686775 362607324 /nfs/dbraw/zinc/60/73/24/362607324.db2.gz DZLQMWSPMIQSMI-NXEZZACHSA-N 1 2 212.224 0.204 20 0 BCADLO CN(c1cc[nH+]cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000641687867 362608615 /nfs/dbraw/zinc/60/86/15/362608615.db2.gz MPAZIPAWQBWHKQ-OCAPTIKFSA-N 1 2 223.251 0.921 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093612063 345662672 /nfs/dbraw/zinc/66/26/72/345662672.db2.gz XKHLSOLHEOTGSD-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093612063 345662674 /nfs/dbraw/zinc/66/26/74/345662674.db2.gz XKHLSOLHEOTGSD-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@H+](CCO)CC(F)F ZINC000336713788 187308008 /nfs/dbraw/zinc/30/80/08/187308008.db2.gz VTTSJTTYBUDZAL-QMMMGPOBSA-N 1 2 225.279 0.953 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@@H+](CCO)CC(F)F ZINC000336713788 187308009 /nfs/dbraw/zinc/30/80/09/187308009.db2.gz VTTSJTTYBUDZAL-QMMMGPOBSA-N 1 2 225.279 0.953 20 0 BCADLO O[C@@H]1CC[C@H]2CC[N@H+](Cc3csnn3)[C@@H]12 ZINC000626140265 345645630 /nfs/dbraw/zinc/64/56/30/345645630.db2.gz VLCFNQMLJOMROY-FXBDTBDDSA-N 1 2 225.317 0.883 20 0 BCADLO O[C@@H]1CC[C@H]2CC[N@@H+](Cc3csnn3)[C@@H]12 ZINC000626140265 345645636 /nfs/dbraw/zinc/64/56/36/345645636.db2.gz VLCFNQMLJOMROY-FXBDTBDDSA-N 1 2 225.317 0.883 20 0 BCADLO Nc1[nH+]cnc(N2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000641712987 362625311 /nfs/dbraw/zinc/62/53/11/362625311.db2.gz ROIYDTORYUJAFU-MLUIRONXSA-N 1 2 226.667 0.283 20 0 BCADLO Nc1nc[nH+]c(N2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000641712987 362625314 /nfs/dbraw/zinc/62/53/14/362625314.db2.gz ROIYDTORYUJAFU-MLUIRONXSA-N 1 2 226.667 0.283 20 0 BCADLO Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc[nH+]1 ZINC000092977915 345650651 /nfs/dbraw/zinc/65/06/51/345650651.db2.gz FHGGQDLJAIAXJQ-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO O[C@H](CNc1cc[nH+]cc1F)[C@H]1CCCO1 ZINC000641678072 362599891 /nfs/dbraw/zinc/59/98/91/362599891.db2.gz PZXKCYUEPHHBPD-GHMZBOCLSA-N 1 2 226.251 0.594 20 0 BCADLO Cc1nc(N2CCc3c(=O)[nH]n(C)c3C2)cc[nH+]1 ZINC000641676585 362602111 /nfs/dbraw/zinc/60/21/11/362602111.db2.gz NHXWYGNISYHLMZ-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C)c1 ZINC000093441348 345670539 /nfs/dbraw/zinc/67/05/39/345670539.db2.gz CJAXQXYBYAHIJH-QWRGUYRKSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccn(C)c1 ZINC000093441348 345670541 /nfs/dbraw/zinc/67/05/41/345670541.db2.gz CJAXQXYBYAHIJH-QWRGUYRKSA-N 1 2 238.287 0.133 20 0 BCADLO CCc1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000082681520 345681093 /nfs/dbraw/zinc/68/10/93/345681093.db2.gz YEXATOSQQDHPEN-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000082681520 345681096 /nfs/dbraw/zinc/68/10/96/345681096.db2.gz YEXATOSQQDHPEN-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000389590116 537906319 /nfs/dbraw/zinc/90/63/19/537906319.db2.gz ABFLSQBLZFJXOY-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000389590116 537906323 /nfs/dbraw/zinc/90/63/23/537906323.db2.gz ABFLSQBLZFJXOY-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO COC[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000641719145 362634174 /nfs/dbraw/zinc/63/41/74/362634174.db2.gz DPOXGAZJSLUXHC-IUCAKERBSA-N 1 2 240.307 0.716 20 0 BCADLO COC[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000641719145 362634176 /nfs/dbraw/zinc/63/41/76/362634176.db2.gz DPOXGAZJSLUXHC-IUCAKERBSA-N 1 2 240.307 0.716 20 0 BCADLO COC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000641719401 362634333 /nfs/dbraw/zinc/63/43/33/362634333.db2.gz UELQDLXFIBMKSX-ZETCQYMHSA-N 1 2 224.264 0.728 20 0 BCADLO COC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000641719401 362634336 /nfs/dbraw/zinc/63/43/36/362634336.db2.gz UELQDLXFIBMKSX-ZETCQYMHSA-N 1 2 224.264 0.728 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000221457425 345747426 /nfs/dbraw/zinc/74/74/26/345747426.db2.gz PKQDKXPQRKCGBU-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000221457425 345747430 /nfs/dbraw/zinc/74/74/30/345747430.db2.gz PKQDKXPQRKCGBU-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CC1(C)OCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000622636720 345700120 /nfs/dbraw/zinc/70/01/20/345700120.db2.gz ICJSHMXHMHVWMP-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000140173647 345700192 /nfs/dbraw/zinc/70/01/92/345700192.db2.gz HETSGJCVDSWJOS-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000140173647 345700194 /nfs/dbraw/zinc/70/01/94/345700194.db2.gz HETSGJCVDSWJOS-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO C[C@H](CC(C)(C)O)NC(=O)Cc1c[nH+]cn1C ZINC000622642167 345714175 /nfs/dbraw/zinc/71/41/75/345714175.db2.gz UEAFREJMNHTLMB-SECBINFHSA-N 1 2 239.319 0.628 20 0 BCADLO Cc1cc(N2CCS(=O)(=O)CC2)nc[nH+]1 ZINC000147703315 345718009 /nfs/dbraw/zinc/71/80/09/345718009.db2.gz NSTMRRMTQPMFBT-UHFFFAOYSA-N 1 2 227.289 0.020 20 0 BCADLO CC(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000168279877 345722733 /nfs/dbraw/zinc/72/27/33/345722733.db2.gz FHMOHEQYQIHXDS-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO NC(=O)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000150251501 345737896 /nfs/dbraw/zinc/73/78/96/345737896.db2.gz BOWOUVGPTUEWQM-SECBINFHSA-N 1 2 205.261 0.783 20 0 BCADLO Cc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000140853915 345823807 /nfs/dbraw/zinc/82/38/07/345823807.db2.gz KXVFXFVLDITPCZ-SSDOTTSWSA-N 1 2 233.275 0.943 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)N1CCCCC1 ZINC000138316137 345763252 /nfs/dbraw/zinc/76/32/52/345763252.db2.gz WBRIIQGBDQTRHQ-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)N1CCCCC1 ZINC000138316137 345763257 /nfs/dbraw/zinc/76/32/57/345763257.db2.gz WBRIIQGBDQTRHQ-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCC1(CNC(=O)c2c[nH+]c(C)[nH]2)COC1 ZINC000622655466 345767524 /nfs/dbraw/zinc/76/75/24/345767524.db2.gz OPNJUMZXBHGUEF-UHFFFAOYSA-N 1 2 223.276 0.875 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@]2(C)CCC(=O)N2)c[nH+]1 ZINC000622678948 345797265 /nfs/dbraw/zinc/79/72/65/345797265.db2.gz IMDILVTUHBRELP-NSHDSACASA-N 1 2 236.275 0.117 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CCC(=O)N2)c[nH+]1 ZINC000622678947 345797495 /nfs/dbraw/zinc/79/74/95/345797495.db2.gz 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/nfs/dbraw/zinc/36/09/65/187360965.db2.gz XUROFTZRCGTJEF-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO CC(C)Cc1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000061709327 187360966 /nfs/dbraw/zinc/36/09/66/187360966.db2.gz XUROFTZRCGTJEF-VIFPVBQESA-N 1 2 225.292 0.835 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CC[C@@H](C)O)[nH+]1 ZINC000635643361 345917800 /nfs/dbraw/zinc/91/78/00/345917800.db2.gz HPCBSTIKBLMNBA-SECBINFHSA-N 1 2 239.319 0.744 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185130020 345945754 /nfs/dbraw/zinc/94/57/54/345945754.db2.gz CXYOEKWEYBEVOK-PSLIRLAXSA-N 1 2 234.365 0.211 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185130020 345945755 /nfs/dbraw/zinc/94/57/55/345945755.db2.gz CXYOEKWEYBEVOK-PSLIRLAXSA-N 1 2 234.365 0.211 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)CCCO)[nH+]1 ZINC000635671830 345971191 /nfs/dbraw/zinc/97/11/91/345971191.db2.gz XVDDJJIJKPGEGL-SECBINFHSA-N 1 2 239.319 0.792 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635692555 345980654 /nfs/dbraw/zinc/98/06/54/345980654.db2.gz CBDISYZQAUJSOI-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635692555 345980655 /nfs/dbraw/zinc/98/06/55/345980655.db2.gz CBDISYZQAUJSOI-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635698657 345984056 /nfs/dbraw/zinc/98/40/56/345984056.db2.gz NCNWSEHCENDSJR-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635698657 345984059 /nfs/dbraw/zinc/98/40/59/345984059.db2.gz NCNWSEHCENDSJR-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635696401 345984636 /nfs/dbraw/zinc/98/46/36/345984636.db2.gz IMSPGJSVEYCWIN-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635696401 345984637 /nfs/dbraw/zinc/98/46/37/345984637.db2.gz IMSPGJSVEYCWIN-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635696403 345984669 /nfs/dbraw/zinc/98/46/69/345984669.db2.gz IMSPGJSVEYCWIN-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635696403 345984671 /nfs/dbraw/zinc/98/46/71/345984671.db2.gz IMSPGJSVEYCWIN-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)CO ZINC000635700111 345988091 /nfs/dbraw/zinc/98/80/91/345988091.db2.gz XGRJZHIUKRAHIH-ZYUZMQFOSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)CO ZINC000635700111 345988093 /nfs/dbraw/zinc/98/80/93/345988093.db2.gz XGRJZHIUKRAHIH-ZYUZMQFOSA-N 1 2 237.303 0.646 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC(O)C3)cc2[nH+]1 ZINC000635701846 345989835 /nfs/dbraw/zinc/98/98/35/345989835.db2.gz XBGWUBCKPAOEMH-UHFFFAOYSA-N 1 2 231.255 0.459 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)N(C)C ZINC000183053610 535018361 /nfs/dbraw/zinc/01/83/61/535018361.db2.gz 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CN(CC1(CO)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635835630 346081047 /nfs/dbraw/zinc/08/10/47/346081047.db2.gz NWRMENCADUOUEQ-NXEZZACHSA-N 1 2 249.314 0.744 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635851087 346090772 /nfs/dbraw/zinc/09/07/72/346090772.db2.gz QEEPZRDYINIBQZ-DJLDLDEBSA-N 1 2 223.276 0.664 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635851087 346090773 /nfs/dbraw/zinc/09/07/73/346090773.db2.gz QEEPZRDYINIBQZ-DJLDLDEBSA-N 1 2 223.276 0.664 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2COC)[nH+]1 ZINC000635961128 346133590 /nfs/dbraw/zinc/13/35/90/346133590.db2.gz BRLVRDAULKJUCW-JTQLQIEISA-N 1 2 237.303 0.762 20 0 BCADLO CCN1CCN(Cc2[nH]cc(C)[nH+]2)CC1=O ZINC000628238678 346198492 /nfs/dbraw/zinc/19/84/92/346198492.db2.gz JDGSAJWYKCGDOW-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1[nH]c(CN2C[C@H](CO)O[C@@H](C)C2)[nH+]c1C ZINC000628247222 346214916 /nfs/dbraw/zinc/21/49/16/346214916.db2.gz SLXVMJSVOXMNSY-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO CC(C)(NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000563286783 323108596 /nfs/dbraw/zinc/10/85/96/323108596.db2.gz XGRGKFLEQGQPIQ-MRVPVSSYSA-N 1 2 223.276 0.940 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@H](C)O1 ZINC000628244662 346209428 /nfs/dbraw/zinc/20/94/28/346209428.db2.gz RBLBFLBWUZWVHD-QWRGUYRKSA-N 1 2 239.319 0.954 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C)C2)[nH+]c1C ZINC000628235741 346189717 /nfs/dbraw/zinc/18/97/17/346189717.db2.gz ANVIYHVRUVHJIQ-UHFFFAOYSA-N 1 2 208.265 0.258 20 0 BCADLO Cc1c[nH]c(CN2CCN(C(C)C)C(=O)C2)[nH+]1 ZINC000628236263 346190352 /nfs/dbraw/zinc/19/03/52/346190352.db2.gz VKAFHKNISIFKSJ-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@H](CO)C2)[nH+]1 ZINC000628246783 346214074 /nfs/dbraw/zinc/21/40/74/346214074.db2.gz CKDMVWKBVSEERW-ZJUUUORDSA-N 1 2 225.292 0.300 20 0 BCADLO CO[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)C[C@@H]1OC ZINC000628251390 346221987 /nfs/dbraw/zinc/22/19/87/346221987.db2.gz FIIHRQXJUIIGSJ-PHIMTYICSA-N 1 2 239.319 0.872 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)c(C)[nH]2)C[C@@H]1OC ZINC000628251390 346221989 /nfs/dbraw/zinc/22/19/89/346221989.db2.gz FIIHRQXJUIIGSJ-PHIMTYICSA-N 1 2 239.319 0.872 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)c(C)[nH]2)C[C@@H]1OC ZINC000628251390 346221990 /nfs/dbraw/zinc/22/19/90/346221990.db2.gz FIIHRQXJUIIGSJ-PHIMTYICSA-N 1 2 239.319 0.872 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000628254648 346237094 /nfs/dbraw/zinc/23/70/94/346237094.db2.gz JZIOVKFOSNKYFF-UHFFFAOYSA-N 1 2 220.276 0.482 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000279619058 346247821 /nfs/dbraw/zinc/24/78/21/346247821.db2.gz HREJGMLQTZSWTP-SECBINFHSA-N 1 2 223.276 0.112 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000279619059 346247892 /nfs/dbraw/zinc/24/78/92/346247892.db2.gz HREJGMLQTZSWTP-VIFPVBQESA-N 1 2 223.276 0.112 20 0 BCADLO CCc1nc(N(CCO)C[C@H](C)O)cc(C)[nH+]1 ZINC000291046031 346252690 /nfs/dbraw/zinc/25/26/90/346252690.db2.gz DBIUTBWWPGMNPK-JTQLQIEISA-N 1 2 239.319 0.527 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000631155663 346253706 /nfs/dbraw/zinc/25/37/06/346253706.db2.gz QRPVKJIZIIGJDN-SECBINFHSA-N 1 2 238.291 0.283 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C)[C@H](C)C2)[nH+]c1C ZINC000628263758 346262288 /nfs/dbraw/zinc/26/22/88/346262288.db2.gz MCCPSCXWYGOYDF-MRVPVSSYSA-N 1 2 236.319 0.689 20 0 BCADLO Cn1cc(C[NH+]2CC([C@@H]3CCOC3)C2)nn1 ZINC000684414909 488309449 /nfs/dbraw/zinc/30/94/49/488309449.db2.gz WGKHDOBTPOBVSX-SECBINFHSA-N 1 2 222.292 0.283 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@@H](C(=O)C3CC3)C2)[nH+]1 ZINC000628264933 346266108 /nfs/dbraw/zinc/26/61/08/346266108.db2.gz JHWBYZYKLFCINQ-LLVKDONJSA-N 1 2 249.314 0.898 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000628265002 346266355 /nfs/dbraw/zinc/26/63/55/346266355.db2.gz MEBQCUNOJPGJNE-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000628265002 346266358 /nfs/dbraw/zinc/26/63/58/346266358.db2.gz MEBQCUNOJPGJNE-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO CC1(C)C[N@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000279798655 346266700 /nfs/dbraw/zinc/26/67/00/346266700.db2.gz OXOYSGHBDJEZHD-QMMMGPOBSA-N 1 2 222.292 0.262 20 0 BCADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000279798655 346266703 /nfs/dbraw/zinc/26/67/03/346266703.db2.gz OXOYSGHBDJEZHD-QMMMGPOBSA-N 1 2 222.292 0.262 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@@H](O)C1 ZINC000636070376 346310607 /nfs/dbraw/zinc/31/06/07/346310607.db2.gz AMJFGDDBPYJZPU-KKZNHRDASA-N 1 2 235.287 0.085 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000636102946 346319567 /nfs/dbraw/zinc/31/95/67/346319567.db2.gz ZSFBKDGIGHKNQX-GXSJLCMTSA-N 1 2 237.303 0.475 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)c2cn(C)nn2)c[nH+]1 ZINC000636105951 346320514 /nfs/dbraw/zinc/32/05/14/346320514.db2.gz TWHNEGARVZCJOJ-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC000636109914 346322259 /nfs/dbraw/zinc/32/22/59/346322259.db2.gz JFXSOZPOINXQNI-WPRPVWTQSA-N 1 2 237.303 0.808 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000636211969 346355309 /nfs/dbraw/zinc/35/53/09/346355309.db2.gz QQPJQDZMRDNCGN-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H](NC(=O)c1coc(CO)c1)c1[nH+]ccn1C ZINC000636212457 346356066 /nfs/dbraw/zinc/35/60/66/346356066.db2.gz YSVPHIQHYJZLTG-MRVPVSSYSA-N 1 2 249.270 0.996 20 0 BCADLO C[C@H](NC(=O)c1coc(CO)c1)c1[nH+]ccn1C ZINC000636212464 346356115 /nfs/dbraw/zinc/35/61/15/346356115.db2.gz YSVPHIQHYJZLTG-QMMMGPOBSA-N 1 2 249.270 0.996 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2([C@@H](C)O)CC2)[nH+]1 ZINC000636227116 346360142 /nfs/dbraw/zinc/36/01/42/346360142.db2.gz OIZISVXAJLFEBV-MRVPVSSYSA-N 1 2 237.303 0.544 20 0 BCADLO Cc1cn2ccc(C(=O)NC3COC3)cc2[nH+]1 ZINC000636313300 346388671 /nfs/dbraw/zinc/38/86/71/346388671.db2.gz BNAORRSJRMXXCD-UHFFFAOYSA-N 1 2 231.255 0.771 20 0 BCADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)COC1 ZINC000636312754 346388748 /nfs/dbraw/zinc/38/87/48/346388748.db2.gz OOWYGVKWRXCJOQ-HTQZYQBOSA-N 1 2 221.260 0.418 20 0 BCADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)COC1 ZINC000636312754 346388751 /nfs/dbraw/zinc/38/87/51/346388751.db2.gz OOWYGVKWRXCJOQ-HTQZYQBOSA-N 1 2 221.260 0.418 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1F ZINC000679217384 488317353 /nfs/dbraw/zinc/31/73/53/488317353.db2.gz CBJZLUOIJIACLA-DTWKUNHWSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1F ZINC000679217384 488317355 /nfs/dbraw/zinc/31/73/55/488317355.db2.gz CBJZLUOIJIACLA-DTWKUNHWSA-N 1 2 202.273 0.755 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC(F)(F)C1 ZINC000684473624 488318743 /nfs/dbraw/zinc/31/87/43/488318743.db2.gz HZUVOVPWMNBUKQ-UHFFFAOYSA-N 1 2 215.203 0.820 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC(F)(F)C1 ZINC000684473624 488318745 /nfs/dbraw/zinc/31/87/45/488318745.db2.gz HZUVOVPWMNBUKQ-UHFFFAOYSA-N 1 2 215.203 0.820 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CCCF ZINC000336424181 187368611 /nfs/dbraw/zinc/36/86/11/187368611.db2.gz MXDMQSXOJUYVOH-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCF ZINC000336424181 187368612 /nfs/dbraw/zinc/36/86/12/187368612.db2.gz MXDMQSXOJUYVOH-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000171112285 346427521 /nfs/dbraw/zinc/42/75/21/346427521.db2.gz NIBGQBMFFDMEIZ-JTQLQIEISA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000171112285 346427524 /nfs/dbraw/zinc/42/75/24/346427524.db2.gz NIBGQBMFFDMEIZ-JTQLQIEISA-N 1 2 243.351 0.358 20 0 BCADLO C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000332764178 346434546 /nfs/dbraw/zinc/43/45/46/346434546.db2.gz WTXANKAHVNSBLP-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000332775126 346437460 /nfs/dbraw/zinc/43/74/60/346437460.db2.gz LZKOGDVQZKLJCA-CMPLNLGQSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000332775170 346437533 /nfs/dbraw/zinc/43/75/33/346437533.db2.gz MDSVJFCNGFLVBP-PTRXPTGYSA-N 1 2 249.314 0.951 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000332775170 346437537 /nfs/dbraw/zinc/43/75/37/346437537.db2.gz MDSVJFCNGFLVBP-PTRXPTGYSA-N 1 2 249.314 0.951 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000332776934 346437777 /nfs/dbraw/zinc/43/77/77/346437777.db2.gz OWAJUDMEBUDEHQ-ZANVPECISA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000332776934 346437780 /nfs/dbraw/zinc/43/77/80/346437780.db2.gz OWAJUDMEBUDEHQ-ZANVPECISA-N 1 2 249.314 0.952 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CC(F)(F)C1 ZINC000684474208 488318969 /nfs/dbraw/zinc/31/89/69/488318969.db2.gz VLVQMBAOJBNIGQ-UHFFFAOYSA-N 1 2 229.230 0.830 20 0 BCADLO CC(C)[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000380029318 365814855 /nfs/dbraw/zinc/81/48/55/365814855.db2.gz PUCIISNTJXFSLZ-SECBINFHSA-N 1 2 211.265 0.016 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000381631236 346487009 /nfs/dbraw/zinc/48/70/09/346487009.db2.gz XFZKDLPYZFIETR-IWSPIJDZSA-N 1 2 201.266 0.705 20 0 BCADLO CC(C)CS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000203049280 346521119 /nfs/dbraw/zinc/52/11/19/346521119.db2.gz SNQRUGMIUXJKBR-UHFFFAOYSA-N 1 2 248.392 0.998 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000249276346 346490344 /nfs/dbraw/zinc/49/03/44/346490344.db2.gz DCOIVCQTFBHQRP-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000249276346 346490347 /nfs/dbraw/zinc/49/03/47/346490347.db2.gz DCOIVCQTFBHQRP-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO COCC1(CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000401290387 346561126 /nfs/dbraw/zinc/56/11/26/346561126.db2.gz XAAZWRHJKZCWEK-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CCn1cc[nH+]c1CN[C@@H](CF)C(=O)OC ZINC000381648206 346545625 /nfs/dbraw/zinc/54/56/25/346545625.db2.gz CJJADRYMIXXZHH-QMMMGPOBSA-N 1 2 229.255 0.504 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187090143 346554062 /nfs/dbraw/zinc/55/40/62/346554062.db2.gz MRSNIELYMAYBRC-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187090143 346554064 /nfs/dbraw/zinc/55/40/64/346554064.db2.gz MRSNIELYMAYBRC-LLVKDONJSA-N 1 2 228.336 0.558 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCCO1 ZINC000577123343 365827307 /nfs/dbraw/zinc/82/73/07/365827307.db2.gz IUDNJSGYQXFRKW-VIFPVBQESA-N 1 2 223.276 0.698 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2Cc3cccnc3C2)C1 ZINC000577127547 365829762 /nfs/dbraw/zinc/82/97/62/365829762.db2.gz KEJJPHYFPOIBBW-LBPRGKRZSA-N 1 2 247.298 0.254 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2Cc3cccnc3C2)C1 ZINC000577127547 365829764 /nfs/dbraw/zinc/82/97/64/365829764.db2.gz KEJJPHYFPOIBBW-LBPRGKRZSA-N 1 2 247.298 0.254 20 0 BCADLO COC[C@]1(C)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000626170534 346675173 /nfs/dbraw/zinc/67/51/73/346675173.db2.gz JCXMXZICDBHZBG-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000626170534 346675176 /nfs/dbraw/zinc/67/51/76/346675176.db2.gz JCXMXZICDBHZBG-LBPRGKRZSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)C[NH2+]C(C)(C)CC(=O)OC ZINC000178335673 346668852 /nfs/dbraw/zinc/66/88/52/346668852.db2.gz HOXSKYFLDYDRQI-UHFFFAOYSA-N 1 2 203.238 0.091 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CO[C@H](C)C1 ZINC000401444417 346711920 /nfs/dbraw/zinc/71/19/20/346711920.db2.gz WZGVQNNFJQTEBE-RNFRBKRXSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CO[C@H](C)C1 ZINC000401444417 346711921 /nfs/dbraw/zinc/71/19/21/346711921.db2.gz WZGVQNNFJQTEBE-RNFRBKRXSA-N 1 2 224.264 0.657 20 0 BCADLO COC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000626170930 346685304 /nfs/dbraw/zinc/68/53/04/346685304.db2.gz RDMJFCVDPSDHLC-ZYHUDNBSSA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000626170930 346685307 /nfs/dbraw/zinc/68/53/07/346685307.db2.gz RDMJFCVDPSDHLC-ZYHUDNBSSA-N 1 2 244.335 0.200 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nccs1 ZINC000577176018 365859227 /nfs/dbraw/zinc/85/92/27/365859227.db2.gz LTYDQMPFLOFGQB-HTQZYQBOSA-N 1 2 214.290 0.647 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)CC[C@@H]2C1 ZINC000580659730 365855417 /nfs/dbraw/zinc/85/54/17/365855417.db2.gz SZSXZIVVKQPTCU-LLVKDONJSA-N 1 2 246.314 0.904 20 0 BCADLO Cc1cccc(OCC[N@@H+]2CCNC(=O)C2)c1 ZINC000058755515 179165917 /nfs/dbraw/zinc/16/59/17/179165917.db2.gz MFMGYGAZIZHVCY-UHFFFAOYSA-N 1 2 234.299 0.806 20 0 BCADLO Cc1cccc(OCC[N@H+]2CCNC(=O)C2)c1 ZINC000058755515 179165920 /nfs/dbraw/zinc/16/59/20/179165920.db2.gz MFMGYGAZIZHVCY-UHFFFAOYSA-N 1 2 234.299 0.806 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)COC ZINC000641828636 362776287 /nfs/dbraw/zinc/77/62/87/362776287.db2.gz QZDKPQKZBHEJBB-VIFPVBQESA-N 1 2 240.307 0.737 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3cccnn32)CC1 ZINC000582066533 347163847 /nfs/dbraw/zinc/16/38/47/347163847.db2.gz HFCPFBYPCVOODQ-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](C)[C@@H](O)C1 ZINC000388056944 347168412 /nfs/dbraw/zinc/16/84/12/347168412.db2.gz PLKKZKTYWLELAN-BDAKNGLRSA-N 1 2 208.261 0.907 20 0 BCADLO COC[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000641830943 362778832 /nfs/dbraw/zinc/77/88/32/362778832.db2.gz CDFXNWRQDMXYHB-IUCAKERBSA-N 1 2 240.307 0.815 20 0 BCADLO CC(C)(C)c1nc(NC[C@@](C)(O)CO)cc[nH+]1 ZINC000684600882 488330875 /nfs/dbraw/zinc/33/08/75/488330875.db2.gz MEONCUQKWVKQFR-GFCCVEGCSA-N 1 2 239.319 0.929 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000618402676 347250890 /nfs/dbraw/zinc/25/08/90/347250890.db2.gz YHMPBSVIQHMAMA-OPRDCNLKSA-N 1 2 237.303 0.411 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)C(=O)OC ZINC000310013041 347218779 /nfs/dbraw/zinc/21/87/79/347218779.db2.gz JMFYNWBNYAVHQZ-NXEZZACHSA-N 1 2 228.292 0.148 20 0 BCADLO CS[C@H](CO)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000380697927 347242164 /nfs/dbraw/zinc/24/21/64/347242164.db2.gz KIQKGCKSFFWBBC-DTWKUNHWSA-N 1 2 243.332 0.112 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000628313581 347242297 /nfs/dbraw/zinc/24/22/97/347242297.db2.gz SZHIMGKAQNOYBV-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000628313581 347242300 /nfs/dbraw/zinc/24/23/00/347242300.db2.gz SZHIMGKAQNOYBV-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000628313578 347242744 /nfs/dbraw/zinc/24/27/44/347242744.db2.gz SZHIMGKAQNOYBV-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000628313578 347242748 /nfs/dbraw/zinc/24/27/48/347242748.db2.gz SZHIMGKAQNOYBV-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCc1c[nH+]cn1C ZINC000349772527 537988792 /nfs/dbraw/zinc/98/87/92/537988792.db2.gz DMESEOKTYPZMBV-SECBINFHSA-N 1 2 245.348 0.886 20 0 BCADLO Cc1[nH]c(CN2CCOC[C@@H](O)C2)[nH+]c1C ZINC000628297938 347266565 /nfs/dbraw/zinc/26/65/65/347266565.db2.gz QGVLFGHAYPNDEN-JTQLQIEISA-N 1 2 225.292 0.220 20 0 BCADLO O=C(NCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636519882 347273711 /nfs/dbraw/zinc/27/37/11/347273711.db2.gz ATBYQIVMYILPLV-VIFPVBQESA-N 1 2 220.276 0.517 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)nn1C ZINC000487401521 362811884 /nfs/dbraw/zinc/81/18/84/362811884.db2.gz RVAADXOMLSMEFA-SNVBAGLBSA-N 1 2 222.292 0.178 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)nn1C ZINC000487401521 362811889 /nfs/dbraw/zinc/81/18/89/362811889.db2.gz RVAADXOMLSMEFA-SNVBAGLBSA-N 1 2 222.292 0.178 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCO1 ZINC000189573230 347305185 /nfs/dbraw/zinc/30/51/85/347305185.db2.gz TZPJSPNYTHPUDY-JTQLQIEISA-N 1 2 235.287 1.000 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)NCc1ccccc1 ZINC000191702541 347357977 /nfs/dbraw/zinc/35/79/77/347357977.db2.gz RHOHDRULRVYHJG-UHFFFAOYSA-N 1 2 249.314 0.110 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1 ZINC000191702541 347357979 /nfs/dbraw/zinc/35/79/79/347357979.db2.gz RHOHDRULRVYHJG-UHFFFAOYSA-N 1 2 249.314 0.110 20 0 BCADLO CS[C@@H]1CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000582118533 347384390 /nfs/dbraw/zinc/38/43/90/347384390.db2.gz QUMGAMPEUZUWEJ-NKWVEPMBSA-N 1 2 213.310 0.194 20 0 BCADLO CC(=O)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922005 347452613 /nfs/dbraw/zinc/45/26/13/347452613.db2.gz LWLYUXHVWWVJMN-UHFFFAOYSA-N 1 2 209.249 0.737 20 0 BCADLO CC(=O)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922005 347452614 /nfs/dbraw/zinc/45/26/14/347452614.db2.gz LWLYUXHVWWVJMN-UHFFFAOYSA-N 1 2 209.249 0.737 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000616922322 347452732 /nfs/dbraw/zinc/45/27/32/347452732.db2.gz YCCQAHSXTANDDX-GDPRMGEGSA-N 1 2 247.298 0.983 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000616922322 347452734 /nfs/dbraw/zinc/45/27/34/347452734.db2.gz YCCQAHSXTANDDX-GDPRMGEGSA-N 1 2 247.298 0.983 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CCCO1 ZINC000616923357 347453733 /nfs/dbraw/zinc/45/37/33/347453733.db2.gz DKKUAFMQFQBBOM-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CCCO1 ZINC000616923357 347453738 /nfs/dbraw/zinc/45/37/38/347453738.db2.gz DKKUAFMQFQBBOM-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CCO[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923693 347454621 /nfs/dbraw/zinc/45/46/21/347454621.db2.gz QQGHCKGAGZRYMF-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CCO[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923693 347454625 /nfs/dbraw/zinc/45/46/25/347454625.db2.gz QQGHCKGAGZRYMF-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO Cc1cccc2[nH+]cc(CN3CC(=O)N(C)C3)n21 ZINC000335159095 179231375 /nfs/dbraw/zinc/23/13/75/179231375.db2.gz VNTIPLNFUCFBTA-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO CC[C@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924537 347455872 /nfs/dbraw/zinc/45/58/72/347455872.db2.gz MZZINYGNWCSQOF-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924537 347455874 /nfs/dbraw/zinc/45/58/74/347455874.db2.gz MZZINYGNWCSQOF-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO Cn1c[nH+]c(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000684836359 488347703 /nfs/dbraw/zinc/34/77/03/488347703.db2.gz VKTRGEITGPUQDK-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000684836359 488347708 /nfs/dbraw/zinc/34/77/08/488347708.db2.gz VKTRGEITGPUQDK-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cnc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000684836359 488347711 /nfs/dbraw/zinc/34/77/11/488347711.db2.gz VKTRGEITGPUQDK-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCOC1 ZINC000571583276 323148146 /nfs/dbraw/zinc/14/81/46/323148146.db2.gz CBTSDOZEFVMDNR-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCOC1 ZINC000571583276 323148147 /nfs/dbraw/zinc/14/81/47/323148147.db2.gz CBTSDOZEFVMDNR-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO COc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000616928561 347495152 /nfs/dbraw/zinc/49/51/52/347495152.db2.gz FCCDWOHJBRLNTC-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO COc1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000616928561 347495153 /nfs/dbraw/zinc/49/51/53/347495153.db2.gz FCCDWOHJBRLNTC-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000616927123 347459420 /nfs/dbraw/zinc/45/94/20/347459420.db2.gz AIIATVGXSLRFSV-ZYHUDNBSSA-N 1 2 235.287 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000616927123 347459421 /nfs/dbraw/zinc/45/94/21/347459421.db2.gz AIIATVGXSLRFSV-ZYHUDNBSSA-N 1 2 235.287 0.795 20 0 BCADLO CCC[C@](C)([NH2+]CCc1cn[nH]n1)C(=O)OC ZINC000590602410 347476076 /nfs/dbraw/zinc/47/60/76/347476076.db2.gz MTLNEFRGFQLFJY-NSHDSACASA-N 1 2 240.307 0.669 20 0 BCADLO COC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000590599819 347480161 /nfs/dbraw/zinc/48/01/61/347480161.db2.gz QZKQXVLDYSHDGB-MRVPVSSYSA-N 1 2 209.249 0.260 20 0 BCADLO CCOC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590600156 347480549 /nfs/dbraw/zinc/48/05/49/347480549.db2.gz LKTIVUTYNCLLOR-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577224025 365889181 /nfs/dbraw/zinc/88/91/81/365889181.db2.gz QKRZFLXOTVPVTR-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(NCC1CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636592627 347528151 /nfs/dbraw/zinc/52/81/51/347528151.db2.gz OMHFHRVEBVABJK-SNVBAGLBSA-N 1 2 234.303 0.907 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCn3cc(C)nc3C2)CC1 ZINC000590714949 347500210 /nfs/dbraw/zinc/50/02/10/347500210.db2.gz GLIFMRJZLSNHKC-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO COC(=O)C1(C[N@H+]2CCn3cc(C)nc3C2)CC1 ZINC000590714949 347500212 /nfs/dbraw/zinc/50/02/12/347500212.db2.gz GLIFMRJZLSNHKC-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO CCc1c(C(=O)NCc2[nH+]ccn2C)cnn1C ZINC000590737552 347502310 /nfs/dbraw/zinc/50/23/10/347502310.db2.gz GQAWFQVHFOWFGM-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590795655 347553256 /nfs/dbraw/zinc/55/32/56/347553256.db2.gz QBIQKXDQNLUQSH-SECBINFHSA-N 1 2 229.305 0.480 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)CC1 ZINC000364870539 347574512 /nfs/dbraw/zinc/57/45/12/347574512.db2.gz IQTGIKXPPJHCTK-VHSXEESVSA-N 1 2 249.318 0.072 20 0 BCADLO COC(=O)CC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000591019281 347604678 /nfs/dbraw/zinc/60/46/78/347604678.db2.gz RLFSSKDTKHGHTN-VIFPVBQESA-N 1 2 231.292 0.727 20 0 BCADLO CSCCCNc1[nH+]cnc2c1OCCN2 ZINC000591147449 347621198 /nfs/dbraw/zinc/62/11/98/347621198.db2.gz LTOHGKUNNONSPN-UHFFFAOYSA-N 1 2 240.332 0.558 20 0 BCADLO CSCCCNc1nc[nH+]c2c1OCCN2 ZINC000591147449 347621202 /nfs/dbraw/zinc/62/12/02/347621202.db2.gz LTOHGKUNNONSPN-UHFFFAOYSA-N 1 2 240.332 0.558 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000591339879 347646580 /nfs/dbraw/zinc/64/65/80/347646580.db2.gz QHHWONYPMZPZNT-RHYQMDGZSA-N 1 2 240.347 0.868 20 0 BCADLO Cc1nnc2n1CC[N@@H+](CC(C)(C)O)C2 ZINC000591908679 347715361 /nfs/dbraw/zinc/71/53/61/347715361.db2.gz DRRRNOBPSYQYRV-UHFFFAOYSA-N 1 2 210.281 0.173 20 0 BCADLO Cc1nnc2n1CC[N@H+](CC(C)(C)O)C2 ZINC000591908679 347715363 /nfs/dbraw/zinc/71/53/63/347715363.db2.gz DRRRNOBPSYQYRV-UHFFFAOYSA-N 1 2 210.281 0.173 20 0 BCADLO CNC(=O)C1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000592301255 347766384 /nfs/dbraw/zinc/76/63/84/347766384.db2.gz ZADKKPGKRPFIKA-UHFFFAOYSA-N 1 2 247.298 0.667 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCOC1 ZINC000591996492 347721540 /nfs/dbraw/zinc/72/15/40/347721540.db2.gz WKBRPDJORKAQRM-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO CC[C@@H]([NH2+]CCCc1ncn(C)n1)C(=O)OC ZINC000592445723 347779691 /nfs/dbraw/zinc/77/96/91/347779691.db2.gz QDLHBCBAUNASCC-SECBINFHSA-N 1 2 240.307 0.289 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000592511369 347792889 /nfs/dbraw/zinc/79/28/89/347792889.db2.gz ZXXVBPFROTUTKI-RKDXNWHRSA-N 1 2 238.291 0.076 20 0 BCADLO C[C@@H]1C[NH+](C[C@@H]2CCC(=O)N2)C[C@@H](C)S1=O ZINC000593026940 347847515 /nfs/dbraw/zinc/84/75/15/347847515.db2.gz ICBRUKXLXVNDTM-BBBLOLIVSA-N 1 2 244.360 0.106 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@@H](C)CCO ZINC000593107617 347859959 /nfs/dbraw/zinc/85/99/59/347859959.db2.gz HDPVPDGAUHSVPR-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@@H](C)CCO ZINC000593107617 347859961 /nfs/dbraw/zinc/85/99/61/347859961.db2.gz HDPVPDGAUHSVPR-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096283 347854262 /nfs/dbraw/zinc/85/42/62/347854262.db2.gz FLLFLRIRRHRTOE-KPCOEVGBSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096283 347854265 /nfs/dbraw/zinc/85/42/65/347854265.db2.gz FLLFLRIRRHRTOE-KPCOEVGBSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096283 347854266 /nfs/dbraw/zinc/85/42/66/347854266.db2.gz FLLFLRIRRHRTOE-KPCOEVGBSA-N 1 2 225.317 0.125 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC000593096306 347854347 /nfs/dbraw/zinc/85/43/47/347854347.db2.gz FSFPROHTLSARDG-ZIBATOQPSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC000593096306 347854348 /nfs/dbraw/zinc/85/43/48/347854348.db2.gz FSFPROHTLSARDG-ZIBATOQPSA-N 1 2 222.313 0.787 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098437 347854910 /nfs/dbraw/zinc/85/49/10/347854910.db2.gz XTXKYFOYOQDCEV-KOSWAMCASA-N 1 2 225.317 0.125 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577315131 365923943 /nfs/dbraw/zinc/92/39/43/365923943.db2.gz JLNWAOXIDWHKGR-UMBAGQNISA-N 1 2 237.303 0.406 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000308626266 347928428 /nfs/dbraw/zinc/92/84/28/347928428.db2.gz WNTCOTNJWNECFY-SCZZXKLOSA-N 1 2 203.282 0.689 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593693640 347929014 /nfs/dbraw/zinc/92/90/14/347929014.db2.gz PXKIFLLZUGPSLB-XQJJYNOISA-N 1 2 239.344 0.434 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593693640 347929016 /nfs/dbraw/zinc/92/90/16/347929016.db2.gz PXKIFLLZUGPSLB-XQJJYNOISA-N 1 2 239.344 0.434 20 0 BCADLO Cc1nc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)n[nH]1 ZINC000531293549 348010687 /nfs/dbraw/zinc/01/06/87/348010687.db2.gz GAXQBQPPIBCYSD-HTQZYQBOSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[nH]1 ZINC000531293549 348010690 /nfs/dbraw/zinc/01/06/90/348010690.db2.gz GAXQBQPPIBCYSD-HTQZYQBOSA-N 1 2 237.307 0.924 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@H](C)O)C1CC1 ZINC000308550476 323175311 /nfs/dbraw/zinc/17/53/11/323175311.db2.gz XIBCRGDIVREDKE-OIBJUYFYSA-N 1 2 201.266 0.299 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1cscn1 ZINC000594710948 348104289 /nfs/dbraw/zinc/10/42/89/348104289.db2.gz JZOQZTZQFXCDAS-RITPCOANSA-N 1 2 242.304 0.377 20 0 BCADLO Cc1cccn2cc(CNC(=O)[C@H](C)O)[nH+]c12 ZINC000270764786 179356566 /nfs/dbraw/zinc/35/65/66/179356566.db2.gz GINZLUWOPTWJEI-VIFPVBQESA-N 1 2 233.271 0.640 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(F)(F)CO ZINC000594947123 348146098 /nfs/dbraw/zinc/14/60/98/348146098.db2.gz SQSIVFIQQCXINC-XLPZGREQSA-N 1 2 237.246 0.401 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595290788 348213275 /nfs/dbraw/zinc/21/32/75/348213275.db2.gz ZDZGHZZNBDCHGR-VHSXEESVSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595290788 348213277 /nfs/dbraw/zinc/21/32/77/348213277.db2.gz ZDZGHZZNBDCHGR-VHSXEESVSA-N 1 2 231.292 0.143 20 0 BCADLO COCC[N@H+](C)[C@@H](CCC(=O)OC)C(=O)OC ZINC000595293209 348214847 /nfs/dbraw/zinc/21/48/47/348214847.db2.gz HNCCFUXFVHBMMY-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO COCC[N@@H+](C)[C@@H](CCC(=O)OC)C(=O)OC ZINC000595293209 348214852 /nfs/dbraw/zinc/21/48/52/348214852.db2.gz HNCCFUXFVHBMMY-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595311785 348223880 /nfs/dbraw/zinc/22/38/80/348223880.db2.gz YFDPECNVTVTGOZ-SSDOTTSWSA-N 1 2 237.246 0.952 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cn(C)c[nH+]1 ZINC000595323580 348226599 /nfs/dbraw/zinc/22/65/99/348226599.db2.gz ZKSJANPVKYOFHK-LYGAQUJYSA-N 1 2 241.360 0.761 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595406461 348240304 /nfs/dbraw/zinc/24/03/04/348240304.db2.gz JMPKCPPALLVXNW-GXSJLCMTSA-N 1 2 233.308 0.579 20 0 BCADLO COC(=O)[C@]1([NH2+]CC2CC=CC2)CCOC1 ZINC000595408846 348240829 /nfs/dbraw/zinc/24/08/29/348240829.db2.gz UIKWPGQMISKWRJ-LBPRGKRZSA-N 1 2 225.288 0.874 20 0 BCADLO COC(=O)[C@@H](C1CC1)N1CCn2c[nH+]cc2C1 ZINC000595490525 348262343 /nfs/dbraw/zinc/26/23/43/348262343.db2.gz NVVIIYVQBIKGHV-LLVKDONJSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@@H]1C[NH+](CCc2cn[nH]n2)C[C@@H](C)S1=O ZINC000595452535 348253998 /nfs/dbraw/zinc/25/39/98/348253998.db2.gz AVFGBGXTBGIZCV-RKDXNWHRSA-N 1 2 242.348 0.189 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000085436152 179374759 /nfs/dbraw/zinc/37/47/59/179374759.db2.gz GHQVWXOOWPEWPL-NSHDSACASA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000085436152 179374762 /nfs/dbraw/zinc/37/47/62/179374762.db2.gz GHQVWXOOWPEWPL-NSHDSACASA-N 1 2 246.314 0.599 20 0 BCADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)CC[S@@]1=O ZINC000595460443 348257037 /nfs/dbraw/zinc/25/70/37/348257037.db2.gz VUASWPOPGAZVET-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@H](C)C(=O)OC)OC ZINC000595465084 348257998 /nfs/dbraw/zinc/25/79/98/348257998.db2.gz NNYGICXZYFPLDC-RKDXNWHRSA-N 1 2 219.281 0.141 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@H](C)C(=O)OC)OC ZINC000595465084 348258000 /nfs/dbraw/zinc/25/80/00/348258000.db2.gz NNYGICXZYFPLDC-RKDXNWHRSA-N 1 2 219.281 0.141 20 0 BCADLO CCOC(=O)[C@H](C)N(C)Cc1cn(C)c[nH+]1 ZINC000595376095 348232887 /nfs/dbraw/zinc/23/28/87/348232887.db2.gz XCXVBFSMEPYDMN-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCc1cn[nH]n1 ZINC000595344974 348235188 /nfs/dbraw/zinc/23/51/88/348235188.db2.gz BDNQABPGXAXHLI-VIFPVBQESA-N 1 2 240.307 0.619 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCc1cn[nH]n1 ZINC000595344974 348235190 /nfs/dbraw/zinc/23/51/90/348235190.db2.gz BDNQABPGXAXHLI-VIFPVBQESA-N 1 2 240.307 0.619 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@H](C)C(=O)OC(C)C)OC ZINC000595348793 348237052 /nfs/dbraw/zinc/23/70/52/348237052.db2.gz UYJXXLWIVGJUJQ-GHMZBOCLSA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@H](C)C(=O)OC(C)C)OC ZINC000595348793 348237055 /nfs/dbraw/zinc/23/70/55/348237055.db2.gz UYJXXLWIVGJUJQ-GHMZBOCLSA-N 1 2 247.335 0.920 20 0 BCADLO COCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526664 348271459 /nfs/dbraw/zinc/27/14/59/348271459.db2.gz KSMUBBRLSUIMFU-NSHDSACASA-N 1 2 233.308 0.317 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCOC(C)C ZINC000595528139 348271924 /nfs/dbraw/zinc/27/19/24/348271924.db2.gz VKJNDSMGRXBTQQ-NSHDSACASA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC1CCOCC1 ZINC000595531737 348273958 /nfs/dbraw/zinc/27/39/58/348273958.db2.gz KCAMACRGOYGOKG-LBPRGKRZSA-N 1 2 245.319 0.317 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](O)CCC(C)C ZINC000595531977 348274107 /nfs/dbraw/zinc/27/41/07/348274107.db2.gz NOOXXRVNIXOIMT-CMPLNLGQSA-N 1 2 247.335 0.297 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC=C(C)C ZINC000595533817 348275583 /nfs/dbraw/zinc/27/55/83/348275583.db2.gz ODFUIODJKCMRMX-NSHDSACASA-N 1 2 215.293 0.856 20 0 BCADLO CCOC1CC(C[NH2+][C@@](C)(CO)C(=O)OC)C1 ZINC000595533302 348275648 /nfs/dbraw/zinc/27/56/48/348275648.db2.gz XSKQKVOKLDGKPP-CBINBANVSA-N 1 2 245.319 0.315 20 0 BCADLO C(C[N@@H+]1CCc2nn[nH]c2C1)OCC1CCC1 ZINC000419259586 192116779 /nfs/dbraw/zinc/11/67/79/192116779.db2.gz OVCHGLTXOJJKDX-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO C(C[N@H+]1CCc2nn[nH]c2C1)OCC1CCC1 ZINC000419259586 192116781 /nfs/dbraw/zinc/11/67/81/192116781.db2.gz OVCHGLTXOJJKDX-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO Cc1cccnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081265235 179392469 /nfs/dbraw/zinc/39/24/69/179392469.db2.gz AUOJVVMWCGXXNR-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cccnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081265235 179392471 /nfs/dbraw/zinc/39/24/71/179392471.db2.gz AUOJVVMWCGXXNR-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCC(=O)N(C)C ZINC000595769105 348335586 /nfs/dbraw/zinc/33/55/86/348335586.db2.gz IYMMXRBHAIQIIC-NSHDSACASA-N 1 2 248.298 0.346 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](C)CO ZINC000595773853 348337226 /nfs/dbraw/zinc/33/72/26/348337226.db2.gz FFNSYWRANYNQNV-PSASIEDQSA-N 1 2 221.272 0.496 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](C)O ZINC000595773650 348337448 /nfs/dbraw/zinc/33/74/48/348337448.db2.gz ROKOFOBZGBGSBF-IONNQARKSA-N 1 2 207.245 0.248 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCc1cn[nH]c1 ZINC000595775519 348337979 /nfs/dbraw/zinc/33/79/79/348337979.db2.gz NPHZPSVICGZHFD-NSHDSACASA-N 1 2 243.282 0.833 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCc1c[nH+]c[nH]1 ZINC000595775651 348338031 /nfs/dbraw/zinc/33/80/31/348338031.db2.gz PTMVLUSROHVUSF-SNVBAGLBSA-N 1 2 229.255 0.791 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCc1c[nH]c[nH+]1 ZINC000595775651 348338034 /nfs/dbraw/zinc/33/80/34/348338034.db2.gz PTMVLUSROHVUSF-SNVBAGLBSA-N 1 2 229.255 0.791 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@@H](C)O ZINC000595776039 348338684 /nfs/dbraw/zinc/33/86/84/348338684.db2.gz PZUHNXVDNLIORV-SCZZXKLOSA-N 1 2 221.272 0.638 20 0 BCADLO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)OC ZINC000595785024 348345658 /nfs/dbraw/zinc/34/56/58/348345658.db2.gz VQNPCICQWNWTMB-IVZWLZJFSA-N 1 2 227.304 0.831 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)OC ZINC000595785023 348345838 /nfs/dbraw/zinc/34/58/38/348345838.db2.gz VQNPCICQWNWTMB-GUBZILKMSA-N 1 2 227.304 0.831 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000309098974 349985632 /nfs/dbraw/zinc/98/56/32/349985632.db2.gz DXPWKKWDBQCOMM-VXNVDRBHSA-N 1 2 208.265 0.024 20 0 BCADLO c1ncn(C[C@@H]2CN(c3cccc[nH+]3)CCO2)n1 ZINC000595890610 348389962 /nfs/dbraw/zinc/38/99/62/348389962.db2.gz KYHNDVGWXGWLBH-NSHDSACASA-N 1 2 245.286 0.579 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595902439 348394489 /nfs/dbraw/zinc/39/44/89/348394489.db2.gz YCOMUZMFILQDTE-LPEHRKFASA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595914128 348399939 /nfs/dbraw/zinc/39/99/39/348399939.db2.gz BJKJNBVSXQFFAT-SNVBAGLBSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595914128 348399942 /nfs/dbraw/zinc/39/99/42/348399942.db2.gz BJKJNBVSXQFFAT-SNVBAGLBSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)CCO)c1 ZINC000596134772 348447713 /nfs/dbraw/zinc/44/77/13/348447713.db2.gz PVKIEZHVUSZSEL-SECBINFHSA-N 1 2 238.287 0.980 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCOC2)c1 ZINC000596171642 348461324 /nfs/dbraw/zinc/46/13/24/348461324.db2.gz HUWKLDBXHPTTTO-JTQLQIEISA-N 1 2 236.271 0.998 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CCO[C@H]3C[C@H]32)c1 ZINC000596238660 348483183 /nfs/dbraw/zinc/48/31/83/348483183.db2.gz WTFHZQAUMMHNQE-MNOVXSKESA-N 1 2 248.282 0.775 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCNC2=O)c1 ZINC000596311074 348504106 /nfs/dbraw/zinc/50/41/06/348504106.db2.gz JLLSDLPNICHWDB-VIFPVBQESA-N 1 2 249.270 0.098 20 0 BCADLO COCc1nnc(C[NH2+]CC2(SC)CC2)[nH]1 ZINC000597191512 348670870 /nfs/dbraw/zinc/67/08/70/348670870.db2.gz LGNXLBZJCJPTSM-UHFFFAOYSA-N 1 2 242.348 0.936 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)n1C ZINC000597084487 348656136 /nfs/dbraw/zinc/65/61/36/348656136.db2.gz ZTMKKEQPKUPFGR-XXFAHNHDSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)n1C ZINC000597084487 348656137 /nfs/dbraw/zinc/65/61/37/348656137.db2.gz ZTMKKEQPKUPFGR-XXFAHNHDSA-N 1 2 243.376 0.927 20 0 BCADLO CC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)CO1 ZINC000597117275 348663177 /nfs/dbraw/zinc/66/31/77/348663177.db2.gz LWBWDOISQWXDHT-VGMNWLOBSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(=O)N[C@@H](C)C1 ZINC000297615354 179707896 /nfs/dbraw/zinc/70/78/96/179707896.db2.gz BHWIVAQMDWHCPZ-VIFPVBQESA-N 1 2 248.286 0.742 20 0 BCADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC1(F)F ZINC000421739045 192377616 /nfs/dbraw/zinc/37/76/16/192377616.db2.gz YLIQABGDMGJRIL-JTQLQIEISA-N 1 2 248.273 0.480 20 0 BCADLO COC(=O)c1cc(C[NH2+]Cc2cnn[nH]2)cn1C ZINC000598984311 349071444 /nfs/dbraw/zinc/07/14/44/349071444.db2.gz LTUJTZPLQIWMNN-UHFFFAOYSA-N 1 2 249.274 0.220 20 0 BCADLO Cc1c[nH]c(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)n1 ZINC000628302014 349083961 /nfs/dbraw/zinc/08/39/61/349083961.db2.gz NKXSIIIEUOUPRG-WDEREUQCSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]c(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)n1 ZINC000628302014 349083965 /nfs/dbraw/zinc/08/39/65/349083965.db2.gz NKXSIIIEUOUPRG-WDEREUQCSA-N 1 2 239.319 0.690 20 0 BCADLO CSCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940869 349061799 /nfs/dbraw/zinc/06/17/99/349061799.db2.gz BDFJSDUOFAMXEI-MRVPVSSYSA-N 1 2 225.317 0.677 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000308930250 349126173 /nfs/dbraw/zinc/12/61/73/349126173.db2.gz JIRFYSGADYRICS-SFYZADRCSA-N 1 2 215.249 0.091 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOC1CCOCC1 ZINC000599278077 349138865 /nfs/dbraw/zinc/13/88/65/349138865.db2.gz WYSBCLZFYHRFOT-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOC1CCOCC1 ZINC000599278077 349138867 /nfs/dbraw/zinc/13/88/67/349138867.db2.gz WYSBCLZFYHRFOT-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO COC(=O)CCCC[N@H+](C)Cc1nnc[nH]1 ZINC000599305859 349143570 /nfs/dbraw/zinc/14/35/70/349143570.db2.gz AKQCHNMDCKTRRN-UHFFFAOYSA-N 1 2 226.280 0.580 20 0 BCADLO COC(=O)CCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000599305859 349143572 /nfs/dbraw/zinc/14/35/72/349143572.db2.gz AKQCHNMDCKTRRN-UHFFFAOYSA-N 1 2 226.280 0.580 20 0 BCADLO CC[C@H](C(=O)OC)N1CCc2[nH+]c[nH]c2C1 ZINC000599423136 349183225 /nfs/dbraw/zinc/18/32/25/349183225.db2.gz UKAPUVXKQLGAOE-SNVBAGLBSA-N 1 2 223.276 0.719 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000599565907 349219586 /nfs/dbraw/zinc/21/95/86/349219586.db2.gz XXSBWNRKIGLXED-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000599565907 349219589 /nfs/dbraw/zinc/21/95/89/349219589.db2.gz XXSBWNRKIGLXED-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000599565907 349219593 /nfs/dbraw/zinc/21/95/93/349219593.db2.gz XXSBWNRKIGLXED-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000599565907 349219596 /nfs/dbraw/zinc/21/95/96/349219596.db2.gz XXSBWNRKIGLXED-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599578009 349225165 /nfs/dbraw/zinc/22/51/65/349225165.db2.gz CROAJCCYVWBONW-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599578009 349225168 /nfs/dbraw/zinc/22/51/68/349225168.db2.gz CROAJCCYVWBONW-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@H](O)CC1 ZINC000253126584 349225406 /nfs/dbraw/zinc/22/54/06/349225406.db2.gz LXBFUKHTCHIILO-ZKCHVHJHSA-N 1 2 238.291 0.783 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@H](O)CC1 ZINC000253126584 349225411 /nfs/dbraw/zinc/22/54/11/349225411.db2.gz LXBFUKHTCHIILO-ZKCHVHJHSA-N 1 2 238.291 0.783 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cncnc2)C1 ZINC000130142331 490236380 /nfs/dbraw/zinc/23/63/80/490236380.db2.gz STUPDRWRNHXMSP-SECBINFHSA-N 1 2 247.220 0.976 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cncnc2)C1 ZINC000130142331 490236388 /nfs/dbraw/zinc/23/63/88/490236388.db2.gz STUPDRWRNHXMSP-SECBINFHSA-N 1 2 247.220 0.976 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600104961 349291743 /nfs/dbraw/zinc/29/17/43/349291743.db2.gz DGVILKJNETVBSI-VIFPVBQESA-N 1 2 223.276 0.856 20 0 BCADLO CC(C)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000055080445 349282162 /nfs/dbraw/zinc/28/21/62/349282162.db2.gz FCDJXTSFXUWSEV-NSHDSACASA-N 1 2 200.326 0.641 20 0 BCADLO Cc1nc(C(=O)N2CCn3c[nH+]cc3C2)c[nH]1 ZINC000290921741 179880404 /nfs/dbraw/zinc/88/04/04/179880404.db2.gz KPKNMDIODIQNRK-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)C(C)C ZINC000300826485 349342354 /nfs/dbraw/zinc/34/23/54/349342354.db2.gz BNYVNAWBWXTHOM-ZJUUUORDSA-N 1 2 217.309 0.791 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944133 349346055 /nfs/dbraw/zinc/34/60/55/349346055.db2.gz UJIQYLLJCQXKQX-JLIMGVALSA-N 1 2 227.304 0.951 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061708956 349392728 /nfs/dbraw/zinc/39/27/28/349392728.db2.gz MOSWZKXZCRBMPM-SECBINFHSA-N 1 2 225.296 0.040 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@@H](O)C1 ZINC000061708956 349392730 /nfs/dbraw/zinc/39/27/30/349392730.db2.gz MOSWZKXZCRBMPM-SECBINFHSA-N 1 2 225.296 0.040 20 0 BCADLO Cc1nc(N2CC[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000301451405 179907949 /nfs/dbraw/zinc/90/79/49/179907949.db2.gz TZZFKTBVLSLARQ-JTQLQIEISA-N 1 2 207.277 0.973 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000051736041 350080343 /nfs/dbraw/zinc/08/03/43/350080343.db2.gz AJRIDZBFNIYOHQ-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000051736041 350080347 /nfs/dbraw/zinc/08/03/47/350080347.db2.gz AJRIDZBFNIYOHQ-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813845 350037254 /nfs/dbraw/zinc/03/72/54/350037254.db2.gz SKHCEHTUKNSUSW-SCZZXKLOSA-N 1 2 205.261 0.922 20 0 BCADLO O=C(c1ccncc1)N1CC(n2cc[nH+]c2)C1 ZINC000603813775 350037372 /nfs/dbraw/zinc/03/73/72/350037372.db2.gz IVUQXUWQJBAPJF-UHFFFAOYSA-N 1 2 228.255 0.975 20 0 BCADLO O=C(c1cccnc1)N1CC(n2cc[nH+]c2)C1 ZINC000603813828 350037573 /nfs/dbraw/zinc/03/75/73/350037573.db2.gz PEPKAMXVYXMLGR-UHFFFAOYSA-N 1 2 228.255 0.975 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)NC(C)=O ZINC000603814285 350038186 /nfs/dbraw/zinc/03/81/86/350038186.db2.gz UERDRYLKWRLMPN-UHFFFAOYSA-N 1 2 249.314 0.919 20 0 BCADLO Cc1nc(C[NH2+][C@@](C)(CO)C(C)C)no1 ZINC000336751516 179973615 /nfs/dbraw/zinc/97/36/15/179973615.db2.gz GKSYDEGNEXPJOW-JTQLQIEISA-N 1 2 213.281 0.875 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000603859216 350045940 /nfs/dbraw/zinc/04/59/40/350045940.db2.gz UGXFUKFFOSOXFL-IONNQARKSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000603859216 350045941 /nfs/dbraw/zinc/04/59/41/350045941.db2.gz UGXFUKFFOSOXFL-IONNQARKSA-N 1 2 239.275 0.934 20 0 BCADLO CCc1ncncc1C(=O)NCc1[nH]cc[nH+]1 ZINC000603869909 350046638 /nfs/dbraw/zinc/04/66/38/350046638.db2.gz GAQDWSZIAQTDIN-UHFFFAOYSA-N 1 2 231.259 0.692 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cn[nH]n1 ZINC000603884315 350048836 /nfs/dbraw/zinc/04/88/36/350048836.db2.gz SHVAUDXUNJPDGH-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)n[nH]1 ZINC000377913163 180010353 /nfs/dbraw/zinc/01/03/53/180010353.db2.gz WWPRBKYNTNBWKE-QMMMGPOBSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)[nH]1 ZINC000377913163 180010355 /nfs/dbraw/zinc/01/03/55/180010355.db2.gz WWPRBKYNTNBWKE-QMMMGPOBSA-N 1 2 246.274 0.826 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CCOC[C@@H]1C ZINC000302442500 350091155 /nfs/dbraw/zinc/09/11/55/350091155.db2.gz UEGZSNJRMQCEOP-YUMQZZPRSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CCOC[C@@H]1C ZINC000302442500 350091158 /nfs/dbraw/zinc/09/11/58/350091158.db2.gz UEGZSNJRMQCEOP-YUMQZZPRSA-N 1 2 238.291 0.904 20 0 BCADLO Cc1cncc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000088451436 191018459 /nfs/dbraw/zinc/01/84/59/191018459.db2.gz UJOUKADWXUUOGY-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434550 180034532 /nfs/dbraw/zinc/03/45/32/180034532.db2.gz VCXWGNRKMUHSKD-VXNVDRBHSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434550 180034533 /nfs/dbraw/zinc/03/45/33/180034533.db2.gz VCXWGNRKMUHSKD-VXNVDRBHSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1cc(CN[C@@H](C)[C@H]2C[N@H+](C)CCO2)on1 ZINC000631093305 350115950 /nfs/dbraw/zinc/11/59/50/350115950.db2.gz JWZVOEQNCZPJMO-CMPLNLGQSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1cc(CN[C@@H](C)[C@H]2C[N@@H+](C)CCO2)on1 ZINC000631093305 350115953 /nfs/dbraw/zinc/11/59/53/350115953.db2.gz JWZVOEQNCZPJMO-CMPLNLGQSA-N 1 2 239.319 0.792 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)CC(=O)N1CCCC1 ZINC000051791816 350117044 /nfs/dbraw/zinc/11/70/44/350117044.db2.gz GDACBZSHCUDOHM-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCCC1 ZINC000051791816 350117046 /nfs/dbraw/zinc/11/70/46/350117046.db2.gz GDACBZSHCUDOHM-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434548 180046501 /nfs/dbraw/zinc/04/65/01/180046501.db2.gz VCXWGNRKMUHSKD-CBAPKCEASA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434548 180046503 /nfs/dbraw/zinc/04/65/03/180046503.db2.gz VCXWGNRKMUHSKD-CBAPKCEASA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445481 180054167 /nfs/dbraw/zinc/05/41/67/180054167.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445481 180054169 /nfs/dbraw/zinc/05/41/69/180054169.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC000268445481 180054171 /nfs/dbraw/zinc/05/41/71/180054171.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC000268445481 180054173 /nfs/dbraw/zinc/05/41/73/180054173.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)n[nH]1 ZINC000268445481 180054176 /nfs/dbraw/zinc/05/41/76/180054176.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)n[nH]1 ZINC000268445481 180054177 /nfs/dbraw/zinc/05/41/77/180054177.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 1 2 237.307 0.166 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cnn(C)c1 ZINC000637007610 350138572 /nfs/dbraw/zinc/13/85/72/350138572.db2.gz AODUTJRIDQZCJO-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CCOC(=O)C[N@H+](C)CCCN1CCCC1=O ZINC000604536459 350145077 /nfs/dbraw/zinc/14/50/77/350145077.db2.gz NNTBGDGKYZOBRC-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCCN1CCCC1=O ZINC000604536459 350145079 /nfs/dbraw/zinc/14/50/79/350145079.db2.gz NNTBGDGKYZOBRC-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000132386343 191032228 /nfs/dbraw/zinc/03/22/28/191032228.db2.gz VZEPMLZIVAQTTJ-DTWKUNHWSA-N 1 2 203.282 0.545 20 0 BCADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCCO1 ZINC000133240102 191039308 /nfs/dbraw/zinc/03/93/08/191039308.db2.gz VOQJLZWOBWJZGO-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO CC[C@@](C)([NH2+]Cc1cc(C)on1)C(N)=O ZINC000133191561 191039649 /nfs/dbraw/zinc/03/96/49/191039649.db2.gz YLTWIICIRHCVDA-SNVBAGLBSA-N 1 2 211.265 0.727 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH+]1CCC(O)(CO)CC1 ZINC000313641231 350163902 /nfs/dbraw/zinc/16/39/02/350163902.db2.gz XWVIIJJYEKIZKU-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(CO)CCC2)c[nH+]1 ZINC000332004051 180130028 /nfs/dbraw/zinc/13/00/28/180130028.db2.gz QIZHUXSDICPVIN-UHFFFAOYSA-N 1 2 223.276 0.611 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cnccn2)c[nH+]1 ZINC000341620500 180130467 /nfs/dbraw/zinc/13/04/67/180130467.db2.gz ZOBSXCNZILHMTC-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2[C@H]3COC[C@H]32)c[nH+]1 ZINC000368544479 180131810 /nfs/dbraw/zinc/13/18/10/180131810.db2.gz JWUAAGWPUZORBB-PSVAKVPMSA-N 1 2 221.260 0.340 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccc(=O)[nH]c2)c[nH+]1 ZINC000339281446 180132394 /nfs/dbraw/zinc/13/23/94/180132394.db2.gz JQLAZKKOCOJZJG-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)CC2CCC2)c[nH+]1 ZINC000355700578 180134106 /nfs/dbraw/zinc/13/41/06/180134106.db2.gz MSLHCIYGDZOJKS-JTQLQIEISA-N 1 2 237.303 0.999 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccon1 ZINC000427093670 191053179 /nfs/dbraw/zinc/05/31/79/191053179.db2.gz QGAZUAUFRTUQNN-UHFFFAOYSA-N 1 2 248.286 0.962 20 0 BCADLO Cc1ncc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000339008609 180140938 /nfs/dbraw/zinc/14/09/38/180140938.db2.gz WJSRMLPMBQUZOV-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1ncc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000339008609 180140939 /nfs/dbraw/zinc/14/09/39/180140939.db2.gz WJSRMLPMBQUZOV-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CO[C@@H](C)C1 ZINC000336452865 180118905 /nfs/dbraw/zinc/11/89/05/180118905.db2.gz ZTWOICLQDGVKLH-IONNQARKSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cnn(C)c1 ZINC000346205611 180120589 /nfs/dbraw/zinc/12/05/89/180120589.db2.gz WQMHDEOLFPSGGQ-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO Cc1ncc(C[NH2+]Cc2nncn2C)s1 ZINC000037991376 180155302 /nfs/dbraw/zinc/15/53/02/180155302.db2.gz YWUWUOQCZQYKJO-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO Cc1cn[nH]c1C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000352835299 180155455 /nfs/dbraw/zinc/15/54/55/180155455.db2.gz LAZKIBAQCKAOAT-UHFFFAOYSA-N 1 2 233.275 0.812 20 0 BCADLO Cc1c[nH]nc1C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000352835299 180155456 /nfs/dbraw/zinc/15/54/56/180155456.db2.gz LAZKIBAQCKAOAT-UHFFFAOYSA-N 1 2 233.275 0.812 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000428292775 191076541 /nfs/dbraw/zinc/07/65/41/191076541.db2.gz CSRQDQXKIPRRPH-ZYHUDNBSSA-N 1 2 247.335 0.705 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@@H]2CO)cc[nH+]1 ZINC000227165287 180194083 /nfs/dbraw/zinc/19/40/83/180194083.db2.gz NPYZVSUQQRJINY-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000333463450 180195004 /nfs/dbraw/zinc/19/50/04/180195004.db2.gz MCIIVGHEJMEELX-SECBINFHSA-N 1 2 230.275 0.897 20 0 BCADLO CCOC(=O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000427500533 191077810 /nfs/dbraw/zinc/07/78/10/191077810.db2.gz XACQWPNJBSINHL-UHFFFAOYSA-N 1 2 237.259 0.179 20 0 BCADLO Cc1nc(NCC(=O)NCC(F)F)cc[nH+]1 ZINC000281015594 180198207 /nfs/dbraw/zinc/19/82/07/180198207.db2.gz PFVHOUROYMLVGB-UHFFFAOYSA-N 1 2 230.218 0.578 20 0 BCADLO Cc1nc(NCC(=O)NC2CC2)cc[nH+]1 ZINC000054935881 180199000 /nfs/dbraw/zinc/19/90/00/180199000.db2.gz WIWRTGCPULTZHM-UHFFFAOYSA-N 1 2 206.249 0.476 20 0 BCADLO Cc1nc(N[C@@H](C)CS(C)(=O)=O)cc[nH+]1 ZINC000077900045 180203675 /nfs/dbraw/zinc/20/36/75/180203675.db2.gz GKYRJRPHWHVJNK-ZETCQYMHSA-N 1 2 229.305 0.630 20 0 BCADLO Cc1nc(N[C@H]2CCc3ncnn3C2)cc[nH+]1 ZINC000266432939 180206904 /nfs/dbraw/zinc/20/69/04/180206904.db2.gz UOGDBRCPNGBGEN-VIFPVBQESA-N 1 2 230.275 0.803 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000373596793 180183605 /nfs/dbraw/zinc/18/36/05/180183605.db2.gz SKSVVZZKXVNANM-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000373596793 180183609 /nfs/dbraw/zinc/18/36/09/180183609.db2.gz SKSVVZZKXVNANM-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000369175760 180184768 /nfs/dbraw/zinc/18/47/68/180184768.db2.gz XPVDVUBLOUQCSL-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000369175760 180184770 /nfs/dbraw/zinc/18/47/70/180184770.db2.gz XPVDVUBLOUQCSL-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000094648964 180210078 /nfs/dbraw/zinc/21/00/78/180210078.db2.gz XQBPSNUBCTXPHP-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000428308299 191080878 /nfs/dbraw/zinc/08/08/78/191080878.db2.gz ZOKAVILQCFGCDM-BDAKNGLRSA-N 1 2 224.308 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000428308299 191080881 /nfs/dbraw/zinc/08/08/81/191080881.db2.gz ZOKAVILQCFGCDM-BDAKNGLRSA-N 1 2 224.308 0.741 20 0 BCADLO Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000062133238 180253485 /nfs/dbraw/zinc/25/34/85/180253485.db2.gz VYFXWLLWSBDSNC-SNVBAGLBSA-N 1 2 223.276 0.598 20 0 BCADLO Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000062133238 180253487 /nfs/dbraw/zinc/25/34/87/180253487.db2.gz VYFXWLLWSBDSNC-SNVBAGLBSA-N 1 2 223.276 0.598 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NC1(C)COC1 ZINC000637187612 350246451 /nfs/dbraw/zinc/24/64/51/350246451.db2.gz RCUJMKFJKPUAJT-UHFFFAOYSA-N 1 2 238.291 0.491 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)CC[S@](=O)C1 ZINC000617880710 350248473 /nfs/dbraw/zinc/24/84/73/350248473.db2.gz VRZGAXRKQJUETC-VFZGTOFNSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CC[S@](=O)C1 ZINC000617880710 350248476 /nfs/dbraw/zinc/24/84/76/350248476.db2.gz VRZGAXRKQJUETC-VFZGTOFNSA-N 1 2 227.333 0.610 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000188630673 259412255 /nfs/dbraw/zinc/41/22/55/259412255.db2.gz QOVKDQLJQILEDA-LURJTMIESA-N 1 2 229.198 0.405 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000188630673 259412257 /nfs/dbraw/zinc/41/22/57/259412257.db2.gz QOVKDQLJQILEDA-LURJTMIESA-N 1 2 229.198 0.405 20 0 BCADLO CC(C)(C(=O)N1CC2(CC2)C1)[NH+]1CCOCC1 ZINC000334874062 538078668 /nfs/dbraw/zinc/07/86/68/538078668.db2.gz RTSNUYPIJINDGV-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO Cc1nccnc1CC[NH2+]Cc1ccn[nH]1 ZINC000292993488 180272710 /nfs/dbraw/zinc/27/27/10/180272710.db2.gz MJVMRGBQUWEVDL-UHFFFAOYSA-N 1 2 217.276 0.840 20 0 BCADLO Cc1nsc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000083648695 350268246 /nfs/dbraw/zinc/26/82/46/350268246.db2.gz OHMUPPJXVRDTEM-SECBINFHSA-N 1 2 241.364 0.504 20 0 BCADLO Cc1nsc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000083648695 350268248 /nfs/dbraw/zinc/26/82/48/350268248.db2.gz OHMUPPJXVRDTEM-SECBINFHSA-N 1 2 241.364 0.504 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)Nc2cnn(C)c2)c1 ZINC000637211097 350276519 /nfs/dbraw/zinc/27/65/19/350276519.db2.gz JTMNDVDIVTUFNL-UHFFFAOYSA-N 1 2 248.290 0.518 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000563921077 323322341 /nfs/dbraw/zinc/32/23/41/323322341.db2.gz XCUZHCIUEYMMGD-VHSXEESVSA-N 1 2 237.303 0.238 20 0 BCADLO Cc1ncncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359137643 180294142 /nfs/dbraw/zinc/29/41/42/180294142.db2.gz UKBGZBPIWFXKJL-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ncncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359137643 180294145 /nfs/dbraw/zinc/29/41/45/180294145.db2.gz UKBGZBPIWFXKJL-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ncncc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299081431 180294203 /nfs/dbraw/zinc/29/42/03/180294203.db2.gz SIJGEJGNUXWVON-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nnnn1C ZINC000606451829 350340164 /nfs/dbraw/zinc/34/01/64/350340164.db2.gz BWCJKMBESMAONB-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nnnn1C ZINC000606451829 350340166 /nfs/dbraw/zinc/34/01/66/350340166.db2.gz BWCJKMBESMAONB-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nnnn1C ZINC000606451830 350340187 /nfs/dbraw/zinc/34/01/87/350340187.db2.gz BWCJKMBESMAONB-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nnnn1C ZINC000606451830 350340189 /nfs/dbraw/zinc/34/01/89/350340189.db2.gz BWCJKMBESMAONB-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000066565858 180315791 /nfs/dbraw/zinc/31/57/91/180315791.db2.gz LKMTULJKXBCOPL-SSDOTTSWSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(N)=O ZINC000066565858 180315792 /nfs/dbraw/zinc/31/57/92/180315792.db2.gz LKMTULJKXBCOPL-SSDOTTSWSA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296166202 180309528 /nfs/dbraw/zinc/30/95/28/180309528.db2.gz KRTRGYUBBHHJRF-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1ncsc1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296166202 180309531 /nfs/dbraw/zinc/30/95/31/180309531.db2.gz KRTRGYUBBHHJRF-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637272405 350372270 /nfs/dbraw/zinc/37/22/70/350372270.db2.gz RPFBQWQGYMPOKI-BDAKNGLRSA-N 1 2 238.291 0.142 20 0 BCADLO Cc1nn(C)c(C)c1CC(=O)NCc1[nH]cc[nH+]1 ZINC000070990238 180336364 /nfs/dbraw/zinc/33/63/64/180336364.db2.gz NOJPLNXEORRCGD-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnc[nH]1 ZINC000335179783 538090789 /nfs/dbraw/zinc/09/07/89/538090789.db2.gz STPIZJWBWHDSOS-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)C1CC1 ZINC000427871432 191098600 /nfs/dbraw/zinc/09/86/00/191098600.db2.gz KHMVPKPHBJEZHW-JTQLQIEISA-N 1 2 237.303 0.395 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](CO)C1CC1 ZINC000427871432 191098602 /nfs/dbraw/zinc/09/86/02/191098602.db2.gz KHMVPKPHBJEZHW-JTQLQIEISA-N 1 2 237.303 0.395 20 0 BCADLO CCc1cc(NCC[NH+]2CCOCC2)ncn1 ZINC000040765057 350394436 /nfs/dbraw/zinc/39/44/36/350394436.db2.gz XMMZHMQLSGGUDL-UHFFFAOYSA-N 1 2 236.319 0.783 20 0 BCADLO CCc1cc(NCc2nncn2C)nc[nH+]1 ZINC000040765182 350395550 /nfs/dbraw/zinc/39/55/50/350395550.db2.gz CTXJIEDFPGPXPQ-UHFFFAOYSA-N 1 2 218.264 0.780 20 0 BCADLO Cc1nn(C)c(Cl)c1C[NH+](CCO)CCO ZINC000040750618 180348462 /nfs/dbraw/zinc/34/84/62/180348462.db2.gz LNWVHBIZWLNKLW-UHFFFAOYSA-N 1 2 247.726 0.169 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000294974374 180338011 /nfs/dbraw/zinc/33/80/11/180338011.db2.gz JGGPDTHKMBVRRY-MRVPVSSYSA-N 1 2 236.319 0.357 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000294974374 180338012 /nfs/dbraw/zinc/33/80/12/180338012.db2.gz JGGPDTHKMBVRRY-MRVPVSSYSA-N 1 2 236.319 0.357 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1(CC)CC1 ZINC000637308212 350430349 /nfs/dbraw/zinc/43/03/49/350430349.db2.gz AWMDAXAGVOFUIL-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1(CC)CC1 ZINC000637308212 350430355 /nfs/dbraw/zinc/43/03/55/350430355.db2.gz AWMDAXAGVOFUIL-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000336674354 350432401 /nfs/dbraw/zinc/43/24/01/350432401.db2.gz LRTRQSFJFYSKKJ-NWDGAFQWSA-N 1 2 228.336 0.164 20 0 BCADLO C[NH2+]CC(=O)Nc1nc2ccccc2[nH]1 ZINC000070153076 350503582 /nfs/dbraw/zinc/50/35/82/350503582.db2.gz RZUNURCEFFYKDB-UHFFFAOYSA-N 1 2 204.233 0.143 20 0 BCADLO C[NH2+]CC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000070153076 350503586 /nfs/dbraw/zinc/50/35/86/350503586.db2.gz RZUNURCEFFYKDB-UHFFFAOYSA-N 1 2 204.233 0.143 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061919395 350533839 /nfs/dbraw/zinc/53/38/39/350533839.db2.gz XRBCUSFPYPUGLR-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061919395 350533841 /nfs/dbraw/zinc/53/38/41/350533841.db2.gz XRBCUSFPYPUGLR-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1(C)CC=CC1 ZINC000637389670 350520714 /nfs/dbraw/zinc/52/07/14/350520714.db2.gz PKJHWSJJYHCUEY-NSHDSACASA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1(C)CC=CC1 ZINC000637389670 350520716 /nfs/dbraw/zinc/52/07/16/350520716.db2.gz PKJHWSJJYHCUEY-NSHDSACASA-N 1 2 238.331 0.932 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025968 191109306 /nfs/dbraw/zinc/10/93/06/191109306.db2.gz WUTIVWWTOKHRFT-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025968 191109307 /nfs/dbraw/zinc/10/93/07/191109307.db2.gz WUTIVWWTOKHRFT-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCOCC(F)F ZINC000337388467 350581365 /nfs/dbraw/zinc/58/13/65/350581365.db2.gz GMSBTJZJRYSDTL-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCOCC(F)F ZINC000337388467 350581367 /nfs/dbraw/zinc/58/13/67/350581367.db2.gz GMSBTJZJRYSDTL-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637441449 350582563 /nfs/dbraw/zinc/58/25/63/350582563.db2.gz MHRHHSKFDKEGAR-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637441449 350582566 /nfs/dbraw/zinc/58/25/66/350582566.db2.gz MHRHHSKFDKEGAR-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637441448 350582643 /nfs/dbraw/zinc/58/26/43/350582643.db2.gz MHRHHSKFDKEGAR-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637441448 350582647 /nfs/dbraw/zinc/58/26/47/350582647.db2.gz MHRHHSKFDKEGAR-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@@H]1C ZINC000637443185 350584049 /nfs/dbraw/zinc/58/40/49/350584049.db2.gz VRPASJZVZDYXBG-GMTAPVOTSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@@H]1C ZINC000637443185 350584053 /nfs/dbraw/zinc/58/40/53/350584053.db2.gz VRPASJZVZDYXBG-GMTAPVOTSA-N 1 2 241.335 0.367 20 0 BCADLO CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000637448113 350586315 /nfs/dbraw/zinc/58/63/15/350586315.db2.gz UIEZAQPPDSDNHM-SNVBAGLBSA-N 1 2 227.308 0.121 20 0 BCADLO CN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000637448113 350586317 /nfs/dbraw/zinc/58/63/17/350586317.db2.gz UIEZAQPPDSDNHM-SNVBAGLBSA-N 1 2 227.308 0.121 20 0 BCADLO CCOC(=O)c1nnn(Cc2c[nH+]cn2C)c1C ZINC000231832707 350639192 /nfs/dbraw/zinc/63/91/92/350639192.db2.gz TYBFQSNHVGXCOW-UHFFFAOYSA-N 1 2 249.274 0.545 20 0 BCADLO C/C=C/CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000637486334 350648957 /nfs/dbraw/zinc/64/89/57/350648957.db2.gz HYYWBSFZXYMZRP-ONEGZZNKSA-N 1 2 241.335 0.536 20 0 BCADLO C[N@H+](CCc1nccs1)CCS(C)(=O)=O ZINC000158015344 191116430 /nfs/dbraw/zinc/11/64/30/191116430.db2.gz ICRBXJIYBRFFDL-UHFFFAOYSA-N 1 2 248.373 0.662 20 0 BCADLO C[N@@H+](CCc1nccs1)CCS(C)(=O)=O ZINC000158015344 191116432 /nfs/dbraw/zinc/11/64/32/191116432.db2.gz ICRBXJIYBRFFDL-UHFFFAOYSA-N 1 2 248.373 0.662 20 0 BCADLO C/C=C\CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637481957 350634547 /nfs/dbraw/zinc/63/45/47/350634547.db2.gz DBJFSWGQVVVDBH-XADBCAIWSA-N 1 2 220.276 0.683 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)C2CCC2)c[nH+]1 ZINC000617305513 350714412 /nfs/dbraw/zinc/71/44/12/350714412.db2.gz PDRPOJFRGAKFAL-SNVBAGLBSA-N 1 2 223.276 0.609 20 0 BCADLO CCc1nc(C[N@H+](CCO)C[C@@H](C)O)cs1 ZINC000289899515 350677608 /nfs/dbraw/zinc/67/76/08/350677608.db2.gz SJFQJCLHKSBSDN-SECBINFHSA-N 1 2 244.360 0.881 20 0 BCADLO CCc1nc(C[N@@H+](CCO)C[C@@H](C)O)cs1 ZINC000289899515 350677611 /nfs/dbraw/zinc/67/76/11/350677611.db2.gz SJFQJCLHKSBSDN-SECBINFHSA-N 1 2 244.360 0.881 20 0 BCADLO CCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000096477686 350678963 /nfs/dbraw/zinc/67/89/63/350678963.db2.gz ARRHDNGUSSKIRX-JTQLQIEISA-N 1 2 213.325 0.149 20 0 BCADLO CCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000096477686 350678964 /nfs/dbraw/zinc/67/89/64/350678964.db2.gz ARRHDNGUSSKIRX-JTQLQIEISA-N 1 2 213.325 0.149 20 0 BCADLO CO[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000401705831 350756760 /nfs/dbraw/zinc/75/67/60/350756760.db2.gz DMTBWRJRFVYQDV-MRVPVSSYSA-N 1 2 211.265 0.114 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000051687481 350762481 /nfs/dbraw/zinc/76/24/81/350762481.db2.gz CHJYCLMGVWCGCD-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO C[C@H]1COCC[N@H+]1CC(=O)N1CCCC1 ZINC000051687481 350762484 /nfs/dbraw/zinc/76/24/84/350762484.db2.gz CHJYCLMGVWCGCD-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)C1CCC1 ZINC000617311631 350721108 /nfs/dbraw/zinc/72/11/08/350721108.db2.gz IKUGHEJWURQOLZ-NSHDSACASA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](CO)C1CCC1 ZINC000617311631 350721111 /nfs/dbraw/zinc/72/11/11/350721111.db2.gz IKUGHEJWURQOLZ-NSHDSACASA-N 1 2 237.303 0.538 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H](CO)C2CCC2)C1 ZINC000617314191 350723382 /nfs/dbraw/zinc/72/33/82/350723382.db2.gz ZINNXGMGWGIRAR-LLVKDONJSA-N 1 2 240.347 0.605 20 0 BCADLO Cn1ccc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000335717025 538099184 /nfs/dbraw/zinc/09/91/84/538099184.db2.gz GIQHTXYUCQZUGV-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCn2cccn2)n1 ZINC000336730463 180499721 /nfs/dbraw/zinc/49/97/21/180499721.db2.gz DPRFUQJEUXNKGF-QMMMGPOBSA-N 1 2 221.264 0.925 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000051736710 350815408 /nfs/dbraw/zinc/81/54/08/350815408.db2.gz RSHPSZXAPRTHFC-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000051736710 350815411 /nfs/dbraw/zinc/81/54/11/350815411.db2.gz RSHPSZXAPRTHFC-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCc1nc(C[N@@H+](CC)[C@@H](C)CO)no1 ZINC000339633826 350770229 /nfs/dbraw/zinc/77/02/29/350770229.db2.gz ZDSAGQJMKBUOJL-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@H+](CC)[C@@H](C)CO)no1 ZINC000339633826 350770234 /nfs/dbraw/zinc/77/02/34/350770234.db2.gz ZDSAGQJMKBUOJL-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)[C@H](C)CO ZINC000339631803 350770772 /nfs/dbraw/zinc/77/07/72/350770772.db2.gz WUATVPDMIARUPY-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)[C@H](C)CO ZINC000339631803 350770773 /nfs/dbraw/zinc/77/07/73/350770773.db2.gz WUATVPDMIARUPY-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@@H](CF)C2)[nH+]1 ZINC000628310193 350788284 /nfs/dbraw/zinc/78/82/84/350788284.db2.gz REJKSTQOIPJOTO-VIFPVBQESA-N 1 2 213.256 0.888 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C)CC2 ZINC000623738539 350836849 /nfs/dbraw/zinc/83/68/49/350836849.db2.gz RGWHRWLIJXQHOH-SECBINFHSA-N 1 2 207.277 0.842 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1ccc(F)cc1F ZINC000051827595 350851809 /nfs/dbraw/zinc/85/18/09/350851809.db2.gz UTYIUZXBIJIEHT-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1ccc(F)cc1F ZINC000051827595 350851813 /nfs/dbraw/zinc/85/18/13/350851813.db2.gz UTYIUZXBIJIEHT-JTQLQIEISA-N 1 2 244.241 0.415 20 0 BCADLO C[NH+](Cc1nnnn1C1CC1)C[C@@H]1CCCO1 ZINC000052101897 350930134 /nfs/dbraw/zinc/93/01/34/350930134.db2.gz YQHGJDLBMFPINV-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cc(C)no1 ZINC000052188766 350961295 /nfs/dbraw/zinc/96/12/95/350961295.db2.gz MBVIDRMZPCFZMR-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)no1 ZINC000052188766 350961296 /nfs/dbraw/zinc/96/12/96/350961296.db2.gz MBVIDRMZPCFZMR-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(C)N1CCC[C@@H]([NH+]2CCOCC2)C1=O ZINC000177666438 366017165 /nfs/dbraw/zinc/01/71/65/366017165.db2.gz RHPXJVCTNXAFQE-LLVKDONJSA-N 1 2 226.320 0.718 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626307907 350953060 /nfs/dbraw/zinc/95/30/60/350953060.db2.gz YBGGLTJLQDFWGK-JTQLQIEISA-N 1 2 249.314 0.849 20 0 BCADLO Cc1ccncc1C[NH2+]Cc1cnn[nH]1 ZINC000398279243 351018869 /nfs/dbraw/zinc/01/88/69/351018869.db2.gz CPLOCKYIGSAULD-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398322054 351034407 /nfs/dbraw/zinc/03/44/07/351034407.db2.gz CNATXVKNJVYKCV-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C(F)(F)F)C1 ZINC000306800721 351055444 /nfs/dbraw/zinc/05/54/44/351055444.db2.gz PCKPGBFGLBBBIQ-UHFFFAOYSA-N 1 2 210.199 0.758 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)on1 ZINC000052723339 351068914 /nfs/dbraw/zinc/06/89/14/351068914.db2.gz VIYAQVASVJKPIU-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)on1 ZINC000052723339 351068918 /nfs/dbraw/zinc/06/89/18/351068918.db2.gz VIYAQVASVJKPIU-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cn1cnc2cc(C[NH2+]Cc3cnn[nH]3)ccc21 ZINC000623578012 363009944 /nfs/dbraw/zinc/00/99/44/363009944.db2.gz QPSHMLRCWQSPMW-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cc1[nH]c(CN2CN(C)C(=O)[C@@H]2C)[nH+]c1C ZINC000628322592 351211540 /nfs/dbraw/zinc/21/15/40/351211540.db2.gz CHJQXKBMCLLHHD-VIFPVBQESA-N 1 2 222.292 0.647 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]c1C ZINC000628340625 351284449 /nfs/dbraw/zinc/28/44/49/351284449.db2.gz QXCDSTJLJGFLOW-CMPLNLGQSA-N 1 2 221.304 0.983 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]c1C ZINC000628340625 351284450 /nfs/dbraw/zinc/28/44/50/351284450.db2.gz QXCDSTJLJGFLOW-CMPLNLGQSA-N 1 2 221.304 0.983 20 0 BCADLO Cc1[nH]c(CN2CC[C@@]3(O)C[C@H]3C2)[nH+]c1C ZINC000628340625 351284456 /nfs/dbraw/zinc/28/44/56/351284456.db2.gz QXCDSTJLJGFLOW-CMPLNLGQSA-N 1 2 221.304 0.983 20 0 BCADLO CO[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000313292514 351321769 /nfs/dbraw/zinc/32/17/69/351321769.db2.gz HURPRFFFUYXTJB-QMMMGPOBSA-N 1 2 211.265 0.114 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](O)C(F)(F)C2)[nH+]1 ZINC000628337538 351279855 /nfs/dbraw/zinc/27/98/55/351279855.db2.gz JDIINTKLJBZQHB-MRVPVSSYSA-N 1 2 231.246 0.920 20 0 BCADLO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000306965568 351385117 /nfs/dbraw/zinc/38/51/17/351385117.db2.gz KFLNCSMXGKVTBT-CSMHCCOUSA-N 1 2 201.291 0.643 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cscn2)c1 ZINC000313437819 351352457 /nfs/dbraw/zinc/35/24/57/351352457.db2.gz DCTZYKIMCPZLFL-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO CCN1CC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000272220041 351464992 /nfs/dbraw/zinc/46/49/92/351464992.db2.gz KFYSZWHTVVHEHS-UHFFFAOYSA-N 1 2 236.275 0.557 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cn1 ZINC000414573585 351423205 /nfs/dbraw/zinc/42/32/05/351423205.db2.gz LYKXBDXHYBYVRY-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cn1 ZINC000414573585 351423208 /nfs/dbraw/zinc/42/32/08/351423208.db2.gz LYKXBDXHYBYVRY-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO O=C(c1cscn1)N1CCn2cc[nH+]c2C1 ZINC000062663940 191136218 /nfs/dbraw/zinc/13/62/18/191136218.db2.gz BVNTVGZHZNUMLD-UHFFFAOYSA-N 1 2 234.284 0.996 20 0 BCADLO CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712328 366022500 /nfs/dbraw/zinc/02/25/00/366022500.db2.gz WSKRFDIZTSQFMS-UHFFFAOYSA-N 1 2 204.233 0.763 20 0 BCADLO Cc1ccnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000577625584 366023773 /nfs/dbraw/zinc/02/37/73/366023773.db2.gz MLRANYKHDVYKSA-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO C[C@@H]1CO[C@H](CO)CN1Cc1[nH+]ccn1C ZINC000088094587 351598723 /nfs/dbraw/zinc/59/87/23/351598723.db2.gz ZHIDDIYARAJRTJ-ZJUUUORDSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1cc(CN2CC[NH+](CCO)CC2)sn1 ZINC000637810962 351652216 /nfs/dbraw/zinc/65/22/16/351652216.db2.gz MBRVXBKXCQGOSV-UHFFFAOYSA-N 1 2 241.360 0.561 20 0 BCADLO Cc1cc(C[NH+]2CCN(CCO)CC2)sn1 ZINC000637810962 351652218 /nfs/dbraw/zinc/65/22/18/351652218.db2.gz MBRVXBKXCQGOSV-UHFFFAOYSA-N 1 2 241.360 0.561 20 0 BCADLO CCC[C@@H](C[N@@H+]1CCNC(=O)C1)OC ZINC000637846817 351705225 /nfs/dbraw/zinc/70/52/25/351705225.db2.gz DSJOMLKTDKNEPJ-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCC[C@@H](C[N@H+]1CCNC(=O)C1)OC ZINC000637846817 351705228 /nfs/dbraw/zinc/70/52/28/351705228.db2.gz DSJOMLKTDKNEPJ-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO Cc1nc2ncnn2c(N2CCCC[NH2+]2)c1C ZINC000577779724 366060882 /nfs/dbraw/zinc/06/08/82/366060882.db2.gz BYWUOQCAEAVYOS-UHFFFAOYSA-N 1 2 232.291 0.846 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637874962 351743673 /nfs/dbraw/zinc/74/36/73/351743673.db2.gz BTSPUBLIQNMNAO-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)o1 ZINC000124497846 191142891 /nfs/dbraw/zinc/14/28/91/191142891.db2.gz HTZWFQUGWDPBON-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@](C)(O)C2)o1 ZINC000124497846 191142894 /nfs/dbraw/zinc/14/28/94/191142894.db2.gz HTZWFQUGWDPBON-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124497668 191143136 /nfs/dbraw/zinc/14/31/36/191143136.db2.gz HTZWFQUGWDPBON-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124497668 191143139 /nfs/dbraw/zinc/14/31/39/191143139.db2.gz HTZWFQUGWDPBON-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CC[N@H+](Cc1cc(C)no1)[C@H]1CCNC1=O ZINC000281998053 351920112 /nfs/dbraw/zinc/92/01/12/351920112.db2.gz XGKQTOKBIFJZOQ-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1cc(C)no1)[C@H]1CCNC1=O ZINC000281998053 351920117 /nfs/dbraw/zinc/92/01/17/351920117.db2.gz XGKQTOKBIFJZOQ-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@H+](Cc1ccno1)[C@H]1CCNC1=O ZINC000282048739 351921992 /nfs/dbraw/zinc/92/19/92/351921992.db2.gz AYIBWBVVRLQKIQ-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CC[N@@H+](Cc1ccno1)[C@H]1CCNC1=O ZINC000282048739 351921995 /nfs/dbraw/zinc/92/19/95/351921995.db2.gz AYIBWBVVRLQKIQ-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CC[C@@H]([NH2+]C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000336736443 351928422 /nfs/dbraw/zinc/92/84/22/351928422.db2.gz MQZNMZGYJVVINL-RKDXNWHRSA-N 1 2 228.292 0.196 20 0 BCADLO CO[C@](C)(C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000638048746 351928433 /nfs/dbraw/zinc/92/84/33/351928433.db2.gz GFMXLNRCQBTRRZ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@](C)(C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000638048746 351928435 /nfs/dbraw/zinc/92/84/35/351928435.db2.gz GFMXLNRCQBTRRZ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CC[N@H+](Cc1cc(OC)ccn1)[C@@H]1CCNC1=O ZINC000282483728 351934378 /nfs/dbraw/zinc/93/43/78/351934378.db2.gz VOHRXHCOLOTLSP-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cc(OC)ccn1)[C@@H]1CCNC1=O ZINC000282483728 351934381 /nfs/dbraw/zinc/93/43/81/351934381.db2.gz VOHRXHCOLOTLSP-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CCN(Cc1cc(OC)cc[nH+]1)[C@@H]1CCNC1=O ZINC000282483728 351934382 /nfs/dbraw/zinc/93/43/82/351934382.db2.gz VOHRXHCOLOTLSP-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281670775 351902999 /nfs/dbraw/zinc/90/29/99/351902999.db2.gz TVCWUMQDJUBQTO-VHSXEESVSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281670775 351903003 /nfs/dbraw/zinc/90/30/03/351903003.db2.gz TVCWUMQDJUBQTO-VHSXEESVSA-N 1 2 237.303 0.618 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(C=O)[nH]c2C)CC1 ZINC000282983189 351953856 /nfs/dbraw/zinc/95/38/56/351953856.db2.gz TZOMBYSOWJGZDA-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccn1 ZINC000353474197 351968218 /nfs/dbraw/zinc/96/82/18/351968218.db2.gz FCONMULRYSHWQP-UHFFFAOYSA-N 1 2 247.302 0.526 20 0 BCADLO CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccn1 ZINC000353474197 351968222 /nfs/dbraw/zinc/96/82/22/351968222.db2.gz FCONMULRYSHWQP-UHFFFAOYSA-N 1 2 247.302 0.526 20 0 BCADLO C[N@H+](Cc1ccc[nH]1)Cc1cnc(N)nc1N ZINC000638149602 352013860 /nfs/dbraw/zinc/01/38/60/352013860.db2.gz AYHYAIFETUEUFU-UHFFFAOYSA-N 1 2 232.291 0.262 20 0 BCADLO C[N@@H+](Cc1ccc[nH]1)Cc1cnc(N)nc1N ZINC000638149602 352013863 /nfs/dbraw/zinc/01/38/63/352013863.db2.gz AYHYAIFETUEUFU-UHFFFAOYSA-N 1 2 232.291 0.262 20 0 BCADLO COc1cncc(C[N@H+](C)[C@H]2CCNC2=O)c1C ZINC000638181674 352048228 /nfs/dbraw/zinc/04/82/28/352048228.db2.gz IJABSXGALWHLFX-NSHDSACASA-N 1 2 249.314 0.719 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@H]2CCNC2=O)c1C ZINC000638181674 352048229 /nfs/dbraw/zinc/04/82/29/352048229.db2.gz IJABSXGALWHLFX-NSHDSACASA-N 1 2 249.314 0.719 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000638185432 352050472 /nfs/dbraw/zinc/05/04/72/352050472.db2.gz YLPLPJHIVPSTPB-QWRGUYRKSA-N 1 2 248.330 0.692 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000638185432 352050475 /nfs/dbraw/zinc/05/04/75/352050475.db2.gz YLPLPJHIVPSTPB-QWRGUYRKSA-N 1 2 248.330 0.692 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)c2ccoc2)CC1 ZINC000285280479 352033768 /nfs/dbraw/zinc/03/37/68/352033768.db2.gz ZQTCPQYCAIRXHF-UHFFFAOYSA-N 1 2 244.316 0.606 20 0 BCADLO CC[N@H+](CCO)Cc1ncnn1CC(C)C ZINC000083995472 352207251 /nfs/dbraw/zinc/20/72/51/352207251.db2.gz ATMBNWISNQVEDO-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CC[N@@H+](CCO)Cc1ncnn1CC(C)C ZINC000083995472 352207255 /nfs/dbraw/zinc/20/72/55/352207255.db2.gz ATMBNWISNQVEDO-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)C[C@@H](C)O ZINC000083995506 352207648 /nfs/dbraw/zinc/20/76/48/352207648.db2.gz AGZPOOBRYHMIKM-SNVBAGLBSA-N 1 2 226.324 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)C[C@@H](C)O ZINC000083995506 352207650 /nfs/dbraw/zinc/20/76/50/352207650.db2.gz AGZPOOBRYHMIKM-SNVBAGLBSA-N 1 2 226.324 0.747 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H]1CO ZINC000083995494 352207667 /nfs/dbraw/zinc/20/76/67/352207667.db2.gz CCMGEHDOIQGOAJ-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H]1CO ZINC000083995494 352207668 /nfs/dbraw/zinc/20/76/68/352207668.db2.gz CCMGEHDOIQGOAJ-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613390749 363162845 /nfs/dbraw/zinc/16/28/45/363162845.db2.gz YUYPQBHTUHUBEL-CMPLNLGQSA-N 1 2 237.299 0.914 20 0 BCADLO Cc1nc([C@@H](C)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000411199337 191168902 /nfs/dbraw/zinc/16/89/02/191168902.db2.gz MZHYPVCLZGGYHQ-SECBINFHSA-N 1 2 235.335 0.954 20 0 BCADLO Cc1cc(NC(=O)[C@@H](CC(C)C)C(N)=O)cc[nH+]1 ZINC000411201978 191171028 /nfs/dbraw/zinc/17/10/28/191171028.db2.gz TYFAMJUINFDUOS-NSHDSACASA-N 1 2 249.314 0.898 20 0 BCADLO COCCN(CC(=O)OC)Cc1cn(C)c[nH+]1 ZINC000618904087 352330340 /nfs/dbraw/zinc/33/03/40/352330340.db2.gz HNIJCOCYEBLNFJ-UHFFFAOYSA-N 1 2 241.291 0.042 20 0 BCADLO CC[N@H+](Cc1cc(C)ncn1)[C@H]1CCNC1=O ZINC000292855187 352331811 /nfs/dbraw/zinc/33/18/11/352331811.db2.gz OCBVFHFNDXRSKH-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cc(C)ncn1)[C@H]1CCNC1=O ZINC000292855187 352331815 /nfs/dbraw/zinc/33/18/15/352331815.db2.gz OCBVFHFNDXRSKH-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000334629667 352355643 /nfs/dbraw/zinc/35/56/43/352355643.db2.gz NYDOGZKLABYVRS-MWLCHTKSSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000334629667 352355644 /nfs/dbraw/zinc/35/56/44/352355644.db2.gz NYDOGZKLABYVRS-MWLCHTKSSA-N 1 2 236.271 0.435 20 0 BCADLO CC[C@@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411437171 191186031 /nfs/dbraw/zinc/18/60/31/191186031.db2.gz HCMHYGDZTVGPAS-PSASIEDQSA-N 1 2 203.282 0.689 20 0 BCADLO CCN1CC[N@H+](CCc2cncs2)CC1=O ZINC000411523964 191191284 /nfs/dbraw/zinc/19/12/84/191191284.db2.gz JGVJTODSWDHMOO-UHFFFAOYSA-N 1 2 239.344 0.850 20 0 BCADLO CCN1CC[N@@H+](CCc2cncs2)CC1=O ZINC000411523964 191191287 /nfs/dbraw/zinc/19/12/87/191191287.db2.gz JGVJTODSWDHMOO-UHFFFAOYSA-N 1 2 239.344 0.850 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)OC)C(=O)OC ZINC000411532456 191192809 /nfs/dbraw/zinc/19/28/09/191192809.db2.gz LKIYNIORCFSKTC-PSASIEDQSA-N 1 2 231.292 0.727 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000252871193 538103453 /nfs/dbraw/zinc/10/34/53/538103453.db2.gz ONXKREIBYLLPQF-GUBZILKMSA-N 1 2 237.303 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000252871193 538103455 /nfs/dbraw/zinc/10/34/55/538103455.db2.gz ONXKREIBYLLPQF-GUBZILKMSA-N 1 2 237.303 0.835 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)[C@@H](C)C1 ZINC000296589873 352452180 /nfs/dbraw/zinc/45/21/80/352452180.db2.gz NLFFQCGIOBJQHI-JTQLQIEISA-N 1 2 249.314 0.750 20 0 BCADLO CC[N@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)[C@@H](C)C1 ZINC000296589873 352452182 /nfs/dbraw/zinc/45/21/82/352452182.db2.gz NLFFQCGIOBJQHI-JTQLQIEISA-N 1 2 249.314 0.750 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000015296249 352468450 /nfs/dbraw/zinc/46/84/50/352468450.db2.gz UOVYGNUCZUHVFA-UHFFFAOYSA-N 1 2 222.288 0.873 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000015296249 352468453 /nfs/dbraw/zinc/46/84/53/352468453.db2.gz UOVYGNUCZUHVFA-UHFFFAOYSA-N 1 2 222.288 0.873 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)OC[C@H]1CCCO1 ZINC000287813201 180745392 /nfs/dbraw/zinc/74/53/92/180745392.db2.gz MKSRZPDMBJJXEI-SECBINFHSA-N 1 2 239.275 0.825 20 0 BCADLO Cc1nccnc1C(=O)NCCc1c[nH+]cn1C ZINC000613412567 363188763 /nfs/dbraw/zinc/18/87/63/363188763.db2.gz FWOMZJTXWOVOBY-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO CCN1CC[N@H+](CCc2cn[nH]c2)CC1=O ZINC000298463553 352505402 /nfs/dbraw/zinc/50/54/02/352505402.db2.gz OOQTXHSFIPCZHA-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO CCN1CC[N@@H+](CCc2cn[nH]c2)CC1=O ZINC000298463553 352505404 /nfs/dbraw/zinc/50/54/04/352505404.db2.gz OOQTXHSFIPCZHA-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cnsn2)CC1 ZINC000298975478 352517688 /nfs/dbraw/zinc/51/76/88/352517688.db2.gz UWQFFVIQJXVOQW-UHFFFAOYSA-N 1 2 226.305 0.316 20 0 BCADLO CCc1cc(NCCC(=O)NC)nc[nH+]1 ZINC000044995853 352555813 /nfs/dbraw/zinc/55/58/13/352555813.db2.gz BJQOWAQCAYWVBY-UHFFFAOYSA-N 1 2 208.265 0.587 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCO1 ZINC000336744418 352695914 /nfs/dbraw/zinc/69/59/14/352695914.db2.gz UXEZYPUGHMPKAZ-SFYZADRCSA-N 1 2 226.280 0.558 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)o1 ZINC000638761598 352698581 /nfs/dbraw/zinc/69/85/81/352698581.db2.gz FTKISTOFUDAYKR-GHMZBOCLSA-N 1 2 239.319 0.792 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)NC1CC1)C2 ZINC000363539410 180775255 /nfs/dbraw/zinc/77/52/55/180775255.db2.gz KFHHEBZCJQACLJ-UHFFFAOYSA-N 1 2 220.276 0.650 20 0 BCADLO Cc1nc(N(C)CC(=O)N2CCCC2)cc[nH+]1 ZINC000608078383 352684163 /nfs/dbraw/zinc/68/41/63/352684163.db2.gz QNKDYHAFXDVNCK-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccnn1C ZINC000291422191 180784168 /nfs/dbraw/zinc/78/41/68/180784168.db2.gz KOYBCGCSLNJNQN-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO COC(=O)CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000342826163 352825976 /nfs/dbraw/zinc/82/59/76/352825976.db2.gz IHIFHCCBJKJKLA-UHFFFAOYSA-N 1 2 239.275 0.332 20 0 BCADLO Cn1ccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000334190945 352780980 /nfs/dbraw/zinc/78/09/80/352780980.db2.gz IEQHBHIUBUWXLX-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1ccc(C[N@@H+]2CCn3ccnc3C2)n1 ZINC000334190945 352780981 /nfs/dbraw/zinc/78/09/81/352780981.db2.gz IEQHBHIUBUWXLX-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1ccc(C[N@H+]2CCn3ccnc3C2)n1 ZINC000334190945 352780982 /nfs/dbraw/zinc/78/09/82/352780982.db2.gz IEQHBHIUBUWXLX-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C)CC1 ZINC000334205142 352800263 /nfs/dbraw/zinc/80/02/63/352800263.db2.gz UDIHYIHCHMFULB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C)CC1 ZINC000334205142 352800266 /nfs/dbraw/zinc/80/02/66/352800266.db2.gz UDIHYIHCHMFULB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cccn2C)CC1 ZINC000334208170 352804063 /nfs/dbraw/zinc/80/40/63/352804063.db2.gz CNNLQMWSQBOOCD-UHFFFAOYSA-N 1 2 236.319 0.482 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334236008 352853708 /nfs/dbraw/zinc/85/37/08/352853708.db2.gz HPUZLSPMHQLZAI-QWRGUYRKSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334236008 352853710 /nfs/dbraw/zinc/85/37/10/352853710.db2.gz HPUZLSPMHQLZAI-QWRGUYRKSA-N 1 2 239.363 0.632 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCC1 ZINC000334239128 352858817 /nfs/dbraw/zinc/85/88/17/352858817.db2.gz NIVRTTOODQJLFR-WDEREUQCSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCC1 ZINC000334239128 352858822 /nfs/dbraw/zinc/85/88/22/352858822.db2.gz NIVRTTOODQJLFR-WDEREUQCSA-N 1 2 224.304 0.472 20 0 BCADLO CNC(=O)[C@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000342807525 352860193 /nfs/dbraw/zinc/86/01/93/352860193.db2.gz NEUSAMLNIBFTNG-SECBINFHSA-N 1 2 238.335 0.542 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC000334257334 352868102 /nfs/dbraw/zinc/86/81/02/352868102.db2.gz QEWZEYALBBFDJL-SECBINFHSA-N 1 2 225.292 0.608 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC000334257334 352868105 /nfs/dbraw/zinc/86/81/05/352868105.db2.gz QEWZEYALBBFDJL-SECBINFHSA-N 1 2 225.292 0.608 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334249691 352842645 /nfs/dbraw/zinc/84/26/45/352842645.db2.gz WYGPUPWCGAYNBI-AOOOYVTPSA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334249691 352842647 /nfs/dbraw/zinc/84/26/47/352842647.db2.gz WYGPUPWCGAYNBI-AOOOYVTPSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334269076 352905683 /nfs/dbraw/zinc/90/56/83/352905683.db2.gz CQQVPKMFRGUMPX-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCc1nc(C)c(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000334271180 352907811 /nfs/dbraw/zinc/90/78/11/352907811.db2.gz UMOXOCFSOWXFQP-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1nc(C)c(C[N@H+]2CCNC(=O)CC2)o1 ZINC000334271180 352907812 /nfs/dbraw/zinc/90/78/12/352907812.db2.gz UMOXOCFSOWXFQP-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2CCCNC2=O)cn1 ZINC000334271455 352908495 /nfs/dbraw/zinc/90/84/95/352908495.db2.gz VCUPZMFQBLUIOP-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2CCCNC2=O)cn1 ZINC000334271455 352908496 /nfs/dbraw/zinc/90/84/96/352908496.db2.gz VCUPZMFQBLUIOP-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO COc1cc(C[N@H+](C)CC(=O)NC2CC2)ccn1 ZINC000342864944 352881631 /nfs/dbraw/zinc/88/16/31/352881631.db2.gz RLVACNKWJZRAEA-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc(C[N@@H+](C)CC(=O)NC2CC2)ccn1 ZINC000342864944 352881633 /nfs/dbraw/zinc/88/16/33/352881633.db2.gz RLVACNKWJZRAEA-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO Cc1c[nH+]c(CN2CC(=O)N(C)[C@H](C)C2)n1C ZINC000342864366 352881758 /nfs/dbraw/zinc/88/17/58/352881758.db2.gz WOAKHGUNBXSLSJ-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338869 352973157 /nfs/dbraw/zinc/97/31/57/352973157.db2.gz ZOPIUSQAYLAGPG-IUCAKERBSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338869 352973160 /nfs/dbraw/zinc/97/31/60/352973160.db2.gz ZOPIUSQAYLAGPG-IUCAKERBSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CN1C ZINC000334352506 352988242 /nfs/dbraw/zinc/98/82/42/352988242.db2.gz XGIICIUKCILQDT-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CN1C ZINC000334352506 352988244 /nfs/dbraw/zinc/98/82/44/352988244.db2.gz XGIICIUKCILQDT-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)C1(F)F ZINC000334314625 352945260 /nfs/dbraw/zinc/94/52/60/352945260.db2.gz PNSJSSZPSWYXPH-SVRRBLITSA-N 1 2 229.230 0.938 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334314847 352946086 /nfs/dbraw/zinc/94/60/86/352946086.db2.gz PYGUQCKAMQFGCZ-IUCAKERBSA-N 1 2 223.276 0.497 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000334315723 352947117 /nfs/dbraw/zinc/94/71/17/352947117.db2.gz RIAJQQNNYHRVBK-VIFPVBQESA-N 1 2 238.291 0.486 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000334315723 352947119 /nfs/dbraw/zinc/94/71/19/352947119.db2.gz RIAJQQNNYHRVBK-VIFPVBQESA-N 1 2 238.291 0.486 20 0 BCADLO O[C@H](C[N@@H+]1CCOCC12CC2)C(F)(F)F ZINC000334330684 352966704 /nfs/dbraw/zinc/96/67/04/352966704.db2.gz OZUPGVRSQNGXGQ-SSDOTTSWSA-N 1 2 225.210 0.774 20 0 BCADLO O[C@H](C[N@H+]1CCOCC12CC2)C(F)(F)F ZINC000334330684 352966706 /nfs/dbraw/zinc/96/67/06/352966706.db2.gz OZUPGVRSQNGXGQ-SSDOTTSWSA-N 1 2 225.210 0.774 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000334362995 353015290 /nfs/dbraw/zinc/01/52/90/353015290.db2.gz LDIBHHNLQXHXFP-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000334362995 353015292 /nfs/dbraw/zinc/01/52/92/353015292.db2.gz LDIBHHNLQXHXFP-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO COC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000577855235 366085596 /nfs/dbraw/zinc/08/55/96/366085596.db2.gz JYLMCOIWWUJYPX-SECBINFHSA-N 1 2 223.276 0.691 20 0 BCADLO O=C1CCC(C[N@@H+]2CCNC(=O)C2)CC1 ZINC000334429806 353104483 /nfs/dbraw/zinc/10/44/83/353104483.db2.gz UPPUOKZYEPCIFM-UHFFFAOYSA-N 1 2 210.277 0.178 20 0 BCADLO O=C1CCC(C[N@H+]2CCNC(=O)C2)CC1 ZINC000334429806 353104485 /nfs/dbraw/zinc/10/44/85/353104485.db2.gz UPPUOKZYEPCIFM-UHFFFAOYSA-N 1 2 210.277 0.178 20 0 BCADLO COc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)nc1 ZINC000364136165 188001353 /nfs/dbraw/zinc/00/13/53/188001353.db2.gz OLSCJHNEPRIFGJ-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccc(C[N@H+]2CCCN(C)C(=O)C2)nc1 ZINC000364136165 188001354 /nfs/dbraw/zinc/00/13/54/188001354.db2.gz OLSCJHNEPRIFGJ-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186640221 180839704 /nfs/dbraw/zinc/83/97/04/180839704.db2.gz WMUOSFRFPHZKQO-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186640221 180839706 /nfs/dbraw/zinc/83/97/06/180839706.db2.gz WMUOSFRFPHZKQO-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334414116 353097006 /nfs/dbraw/zinc/09/70/06/353097006.db2.gz MFRQOANEWXFGHR-GZMMTYOYSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334414116 353097009 /nfs/dbraw/zinc/09/70/09/353097009.db2.gz MFRQOANEWXFGHR-GZMMTYOYSA-N 1 2 245.298 0.655 20 0 BCADLO CC1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000336437388 188006366 /nfs/dbraw/zinc/00/63/66/188006366.db2.gz QRPOVWAYYPQHFR-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H](C[N@@H+]1CCN(C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674054 188010935 /nfs/dbraw/zinc/01/09/35/188010935.db2.gz LBGRFPBNTZHIGS-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](C[N@H+]1CCN(C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674054 188010936 /nfs/dbraw/zinc/01/09/36/188010936.db2.gz LBGRFPBNTZHIGS-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@H+](C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674054 188010938 /nfs/dbraw/zinc/01/09/38/188010938.db2.gz LBGRFPBNTZHIGS-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@@H+](C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674054 188010940 /nfs/dbraw/zinc/01/09/40/188010940.db2.gz LBGRFPBNTZHIGS-MNOVXSKESA-N 1 2 248.392 0.303 20 0 BCADLO CCN(CCCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000608095234 353124937 /nfs/dbraw/zinc/12/49/37/353124937.db2.gz GLRYYVHZTABKSB-UHFFFAOYSA-N 1 2 247.302 0.871 20 0 BCADLO CC(C)COCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000337431668 188014825 /nfs/dbraw/zinc/01/48/25/188014825.db2.gz VKWDGUZUHNWWCP-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000337431668 188014826 /nfs/dbraw/zinc/01/48/26/188014826.db2.gz VKWDGUZUHNWWCP-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnn(C)c2)[C@H](C)C1 ZINC000268726891 188023387 /nfs/dbraw/zinc/02/33/87/188023387.db2.gz WULXMLYNQUHNQO-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnn(C)c2)[C@H](C)C1 ZINC000268726891 188023389 /nfs/dbraw/zinc/02/33/89/188023389.db2.gz WULXMLYNQUHNQO-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(C)(CO)CO)o1 ZINC000269701343 188024256 /nfs/dbraw/zinc/02/42/56/188024256.db2.gz LWMVZEUNQLWQKT-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(C)(CO)CO)o1 ZINC000269701343 188024258 /nfs/dbraw/zinc/02/42/58/188024258.db2.gz LWMVZEUNQLWQKT-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1ccc(C(=O)CC[N@@H+](C)CC(N)=O)cc1 ZINC000274758119 188028219 /nfs/dbraw/zinc/02/82/19/188028219.db2.gz JIRUGKAZJZJLGO-UHFFFAOYSA-N 1 2 234.299 0.985 20 0 BCADLO Cc1ccc(C(=O)CC[N@H+](C)CC(N)=O)cc1 ZINC000274758119 188028221 /nfs/dbraw/zinc/02/82/21/188028221.db2.gz JIRUGKAZJZJLGO-UHFFFAOYSA-N 1 2 234.299 0.985 20 0 BCADLO CC[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000334472686 353118220 /nfs/dbraw/zinc/11/82/20/353118220.db2.gz IBENZFCUBVVMMM-QWRGUYRKSA-N 1 2 248.392 0.998 20 0 BCADLO CC[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000334472686 353118223 /nfs/dbraw/zinc/11/82/23/353118223.db2.gz IBENZFCUBVVMMM-QWRGUYRKSA-N 1 2 248.392 0.998 20 0 BCADLO CC(C)(O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366665864 188035637 /nfs/dbraw/zinc/03/56/37/188035637.db2.gz RMQNDIMYMUNGPI-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366665864 188035639 /nfs/dbraw/zinc/03/56/39/188035639.db2.gz RMQNDIMYMUNGPI-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)on1 ZINC000049086954 353159200 /nfs/dbraw/zinc/15/92/00/353159200.db2.gz PACCCQHUKPOSKW-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO Cc1c(C[N@@H+]2CCn3cnnc3[C@@H]2C)cnn1C ZINC000331854560 188052649 /nfs/dbraw/zinc/05/26/49/188052649.db2.gz PADDQXQFXOVHHZ-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO Cc1c(C[N@H+]2CCn3cnnc3[C@@H]2C)cnn1C ZINC000331854560 188052651 /nfs/dbraw/zinc/05/26/51/188052651.db2.gz PADDQXQFXOVHHZ-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000336360277 188055562 /nfs/dbraw/zinc/05/55/62/188055562.db2.gz FZMNJCAMXBFBSA-UWVGGRQHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000336360277 188055564 /nfs/dbraw/zinc/05/55/64/188055564.db2.gz FZMNJCAMXBFBSA-UWVGGRQHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000336439039 188056053 /nfs/dbraw/zinc/05/60/53/188056053.db2.gz XMSXOPOWRJCLGK-AOOOYVTPSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000336439039 188056054 /nfs/dbraw/zinc/05/60/54/188056054.db2.gz XMSXOPOWRJCLGK-AOOOYVTPSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cc(C)on1 ZINC000330836522 188056532 /nfs/dbraw/zinc/05/65/32/188056532.db2.gz IHGITSSKVRGHEX-LLVKDONJSA-N 1 2 226.276 0.755 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc(C)on1 ZINC000330836522 188056533 /nfs/dbraw/zinc/05/65/33/188056533.db2.gz IHGITSSKVRGHEX-LLVKDONJSA-N 1 2 226.276 0.755 20 0 BCADLO C[C@H]1CCN(c2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000532088430 353170213 /nfs/dbraw/zinc/17/02/13/353170213.db2.gz SWNTXBSUHMOWKI-UWVGGRQHSA-N 1 2 247.306 0.494 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330621047 353176926 /nfs/dbraw/zinc/17/69/26/353176926.db2.gz LKPBTAHRULBWCL-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330621047 353176929 /nfs/dbraw/zinc/17/69/29/353176929.db2.gz LKPBTAHRULBWCL-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CN1CN(Cc2cc3c(c[nH+]2)OCCO3)CC1=O ZINC000638973555 353181063 /nfs/dbraw/zinc/18/10/63/353181063.db2.gz WQTGDYKLRCRMCX-UHFFFAOYSA-N 1 2 249.270 0.084 20 0 BCADLO CCCCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000342555625 535207930 /nfs/dbraw/zinc/20/79/30/535207930.db2.gz LOLITLFEQBGQPC-GFCCVEGCSA-N 1 2 241.379 0.881 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1N ZINC000134411814 538112113 /nfs/dbraw/zinc/11/21/13/538112113.db2.gz KDGUEUGBDLVHKS-MRVPVSSYSA-N 1 2 248.290 0.017 20 0 BCADLO CCOC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000225912788 363210214 /nfs/dbraw/zinc/21/02/14/363210214.db2.gz MDUYZHXWRPKNBV-VIFPVBQESA-N 1 2 215.293 0.642 20 0 BCADLO COCC[NH+]1CCN(c2ncns2)CC1 ZINC000134569577 538113532 /nfs/dbraw/zinc/11/35/32/538113532.db2.gz JGVXIQPQCYEMKX-UHFFFAOYSA-N 1 2 228.321 0.307 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000134820056 538113800 /nfs/dbraw/zinc/11/38/00/538113800.db2.gz VDGHPTTWRFDJKX-ZETCQYMHSA-N 1 2 224.308 0.880 20 0 BCADLO Cc1cnc(C[N@@H+](C)C2CC(O)C2)nc1 ZINC000353496813 188234912 /nfs/dbraw/zinc/23/49/12/188234912.db2.gz RCWXSIACJKWQMF-UHFFFAOYSA-N 1 2 207.277 0.740 20 0 BCADLO Cc1cnc(C[N@H+](C)C2CC(O)C2)nc1 ZINC000353496813 188234913 /nfs/dbraw/zinc/23/49/13/188234913.db2.gz RCWXSIACJKWQMF-UHFFFAOYSA-N 1 2 207.277 0.740 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@@H]1CO ZINC000361926256 188244917 /nfs/dbraw/zinc/24/49/17/188244917.db2.gz RNEDPUJCIDHDNK-SECBINFHSA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@@H]1CO ZINC000361926256 188244919 /nfs/dbraw/zinc/24/49/19/188244919.db2.gz RNEDPUJCIDHDNK-SECBINFHSA-N 1 2 239.323 0.385 20 0 BCADLO O=c1[nH]nc(CN2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000377753597 188252353 /nfs/dbraw/zinc/25/23/53/188252353.db2.gz IMCDPSVQHOAEEQ-QMMMGPOBSA-N 1 2 240.332 0.524 20 0 BCADLO O=c1[nH]nc(CN2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000377753597 188252355 /nfs/dbraw/zinc/25/23/55/188252355.db2.gz IMCDPSVQHOAEEQ-QMMMGPOBSA-N 1 2 240.332 0.524 20 0 BCADLO CC(C)[N@H+](CCO)Cc1cnns1 ZINC000289510092 188268266 /nfs/dbraw/zinc/26/82/66/188268266.db2.gz FKCXRDUFHHTKRL-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1cnns1 ZINC000289510092 188268269 /nfs/dbraw/zinc/26/82/69/188268269.db2.gz FKCXRDUFHHTKRL-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000117883951 188327854 /nfs/dbraw/zinc/32/78/54/188327854.db2.gz SKXCJUVYAFJBSY-NEPJUHHUSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000117883951 188327856 /nfs/dbraw/zinc/32/78/56/188327856.db2.gz SKXCJUVYAFJBSY-NEPJUHHUSA-N 1 2 235.283 0.967 20 0 BCADLO CC(=O)N1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000157874635 188334100 /nfs/dbraw/zinc/33/41/00/188334100.db2.gz WLVAIQNCDKHACG-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO CC1(C)CN(CC[NH2+]Cc2ccn[nH]2)CCO1 ZINC000171766361 188338489 /nfs/dbraw/zinc/33/84/89/188338489.db2.gz KIWXRDYDMKCLHN-UHFFFAOYSA-N 1 2 238.335 0.610 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111207918 188354779 /nfs/dbraw/zinc/35/47/79/188354779.db2.gz LJVZWKKDPNJTRQ-LLVKDONJSA-N 1 2 236.319 0.758 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111207918 188354781 /nfs/dbraw/zinc/35/47/81/188354781.db2.gz LJVZWKKDPNJTRQ-LLVKDONJSA-N 1 2 236.319 0.758 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@H](O)C1 ZINC000338316628 188366233 /nfs/dbraw/zinc/36/62/33/188366233.db2.gz REJDIFABPJGULH-VIFPVBQESA-N 1 2 224.308 0.600 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@H](O)C1 ZINC000338316628 188366234 /nfs/dbraw/zinc/36/62/34/188366234.db2.gz REJDIFABPJGULH-VIFPVBQESA-N 1 2 224.308 0.600 20 0 BCADLO C(C[N@@H+]1CCOCC12CC2)N1CCOCC1 ZINC000338599993 188366533 /nfs/dbraw/zinc/36/65/33/188366533.db2.gz YYNWKIOEBFMSBJ-UHFFFAOYSA-N 1 2 226.320 0.183 20 0 BCADLO C(C[N@H+]1CCOCC12CC2)N1CCOCC1 ZINC000338599993 188366535 /nfs/dbraw/zinc/36/65/35/188366535.db2.gz YYNWKIOEBFMSBJ-UHFFFAOYSA-N 1 2 226.320 0.183 20 0 BCADLO C(C[NH+]1CCOCC1)N1CCOCC12CC2 ZINC000338599993 188366536 /nfs/dbraw/zinc/36/65/36/188366536.db2.gz YYNWKIOEBFMSBJ-UHFFFAOYSA-N 1 2 226.320 0.183 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000572480615 324121571 /nfs/dbraw/zinc/12/15/71/324121571.db2.gz XDRXDCJEYJLMHI-NXEZZACHSA-N 1 2 212.249 0.486 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000642296149 363226769 /nfs/dbraw/zinc/22/67/69/363226769.db2.gz JEFVIIVEYSHUSN-DGFRNANFSA-N 1 2 236.275 0.606 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000642296149 363226772 /nfs/dbraw/zinc/22/67/72/363226772.db2.gz JEFVIIVEYSHUSN-DGFRNANFSA-N 1 2 236.275 0.606 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)[C@@H]2CCNC2=O)cn1 ZINC000281907228 188384641 /nfs/dbraw/zinc/38/46/41/188384641.db2.gz ZTFKXLNXNKBAER-LLVKDONJSA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+](CC)[C@@H]2CCNC2=O)cn1 ZINC000281907228 188384643 /nfs/dbraw/zinc/38/46/43/188384643.db2.gz ZTFKXLNXNKBAER-LLVKDONJSA-N 1 2 234.303 0.694 20 0 BCADLO CC(=O)N1CC[NH+](Cc2c(C)cnn2C)CC1 ZINC000289196422 188387683 /nfs/dbraw/zinc/38/76/83/188387683.db2.gz UWAPETBNODOSGW-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO COCC[N@H+](CCc1cn[nH]c1)CC(=O)OC ZINC000290079795 188389054 /nfs/dbraw/zinc/38/90/54/188389054.db2.gz QNCYFMNPWWAKNQ-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO COCC[N@@H+](CCc1cn[nH]c1)CC(=O)OC ZINC000290079795 188389056 /nfs/dbraw/zinc/38/90/56/188389056.db2.gz QNCYFMNPWWAKNQ-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO C[C@](O)(C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000341589476 188397751 /nfs/dbraw/zinc/39/77/51/188397751.db2.gz CEIQGIJXXMBXBD-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[C@H]1O ZINC000341802090 188399182 /nfs/dbraw/zinc/39/91/82/188399182.db2.gz KOSSBLDWXDDXBQ-VHSXEESVSA-N 1 2 237.303 0.714 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000584344567 353479758 /nfs/dbraw/zinc/47/97/58/353479758.db2.gz CPNVYJLSZYTDOZ-VXNVDRBHSA-N 1 2 209.249 0.625 20 0 BCADLO C[N@H+](Cc1ncccn1)C1(C(N)=O)CCCC1 ZINC000192131540 353544094 /nfs/dbraw/zinc/54/40/94/353544094.db2.gz RBULJOPRYMIWCD-UHFFFAOYSA-N 1 2 234.303 0.707 20 0 BCADLO C[N@@H+](Cc1ncccn1)C1(C(N)=O)CCCC1 ZINC000192131540 353544096 /nfs/dbraw/zinc/54/40/96/353544096.db2.gz RBULJOPRYMIWCD-UHFFFAOYSA-N 1 2 234.303 0.707 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1OC ZINC000193316654 353583325 /nfs/dbraw/zinc/58/33/25/353583325.db2.gz QNBAGHCOAVZJSK-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1OC ZINC000193316654 353583329 /nfs/dbraw/zinc/58/33/29/353583329.db2.gz QNBAGHCOAVZJSK-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)n1 ZINC000193479422 353594469 /nfs/dbraw/zinc/59/44/69/353594469.db2.gz VHVHEYFGPAURJF-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)n1 ZINC000193479422 353594474 /nfs/dbraw/zinc/59/44/74/353594474.db2.gz VHVHEYFGPAURJF-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO CCC1(CO)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000193001507 353572374 /nfs/dbraw/zinc/57/23/74/353572374.db2.gz INHGPFGEPRCOIN-UHFFFAOYSA-N 1 2 239.323 0.195 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CC[C@@H](O)C1 ZINC000232327860 353711867 /nfs/dbraw/zinc/71/18/67/353711867.db2.gz RHLUFZGYKNMVMT-DTWKUNHWSA-N 1 2 247.302 0.936 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC[C@@H](O)C1 ZINC000232327859 353711872 /nfs/dbraw/zinc/71/18/72/353711872.db2.gz RHLUFZGYKNMVMT-RKDXNWHRSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000577929469 366106287 /nfs/dbraw/zinc/10/62/87/366106287.db2.gz LQUVSWCDUOFCAL-NXEZZACHSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000577929469 366106291 /nfs/dbraw/zinc/10/62/91/366106291.db2.gz LQUVSWCDUOFCAL-NXEZZACHSA-N 1 2 242.344 0.627 20 0 BCADLO O=C(CO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343328385 353729572 /nfs/dbraw/zinc/72/95/72/353729572.db2.gz DIDFAJPECIFKTE-UHFFFAOYSA-N 1 2 232.243 0.257 20 0 BCADLO CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)OC ZINC000577926354 366102488 /nfs/dbraw/zinc/10/24/88/366102488.db2.gz DDIKCNYKUAUUOR-JTQLQIEISA-N 1 2 225.292 0.504 20 0 BCADLO CC(C)(NCc1c[nH+]c(N)nc1N)C(F)F ZINC000639118961 353753399 /nfs/dbraw/zinc/75/33/99/353753399.db2.gz HCJZWLPBDACJEN-UHFFFAOYSA-N 1 2 231.250 0.435 20 0 BCADLO CCn1cc[nH+]c1CN1CCC[C@H]1C(=O)NC ZINC000195515158 353766041 /nfs/dbraw/zinc/76/60/41/353766041.db2.gz BZCZFCPICJBEGA-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000195515158 353766045 /nfs/dbraw/zinc/76/60/45/353766045.db2.gz BZCZFCPICJBEGA-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC[C@H]1C(=O)NC ZINC000195515158 353766047 /nfs/dbraw/zinc/76/60/47/353766047.db2.gz BZCZFCPICJBEGA-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CC1C[NH+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000639122417 353775332 /nfs/dbraw/zinc/77/53/32/353775332.db2.gz ACJZEMGHEXOTLV-UHFFFAOYSA-N 1 2 230.289 0.379 20 0 BCADLO CO[C@]1(C[N@H+](CCO)CC(F)F)CCOC1 ZINC000639123029 353780392 /nfs/dbraw/zinc/78/03/92/353780392.db2.gz IFRVPRPWUJYHBW-JTQLQIEISA-N 1 2 239.262 0.351 20 0 BCADLO CO[C@]1(C[N@@H+](CCO)CC(F)F)CCOC1 ZINC000639123029 353780395 /nfs/dbraw/zinc/78/03/95/353780395.db2.gz IFRVPRPWUJYHBW-JTQLQIEISA-N 1 2 239.262 0.351 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccns1 ZINC000639132293 353841236 /nfs/dbraw/zinc/84/12/36/353841236.db2.gz LDBWNMWVSPCINU-NXEZZACHSA-N 1 2 237.328 0.854 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccns1 ZINC000639132293 353841239 /nfs/dbraw/zinc/84/12/39/353841239.db2.gz LDBWNMWVSPCINU-NXEZZACHSA-N 1 2 237.328 0.854 20 0 BCADLO O=C(C[C@H]1CCCC[C@H]1O)NCc1[nH]cc[nH+]1 ZINC000343399739 353877588 /nfs/dbraw/zinc/87/75/88/353877588.db2.gz HONOMPQYOLHYLO-NXEZZACHSA-N 1 2 237.303 0.967 20 0 BCADLO CC[N@H+](Cc1ccns1)[C@H]1CCNC1=O ZINC000639135906 353845612 /nfs/dbraw/zinc/84/56/12/353845612.db2.gz IMSPXIRRHGJJEI-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CC[N@@H+](Cc1ccns1)[C@H]1CCNC1=O ZINC000639135906 353845616 /nfs/dbraw/zinc/84/56/16/353845616.db2.gz IMSPXIRRHGJJEI-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334537373 353924451 /nfs/dbraw/zinc/92/44/51/353924451.db2.gz HFRJFZRBGBDHLD-IUCAKERBSA-N 1 2 237.303 0.669 20 0 BCADLO CC(C)c1nc(N(C)[C@H]2COC[C@@H]2O)cc[nH+]1 ZINC000343590773 353941434 /nfs/dbraw/zinc/94/14/34/353941434.db2.gz MIOJHJDUELQCQI-UWVGGRQHSA-N 1 2 237.303 0.796 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000343594096 353942461 /nfs/dbraw/zinc/94/24/61/353942461.db2.gz XSGRCLRMDXWVGZ-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000343594096 353942466 /nfs/dbraw/zinc/94/24/66/353942466.db2.gz XSGRCLRMDXWVGZ-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO COc1cncc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000343691151 353965296 /nfs/dbraw/zinc/96/52/96/353965296.db2.gz NBBCWAYFWJWGQC-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000343691151 353965300 /nfs/dbraw/zinc/96/53/00/353965300.db2.gz NBBCWAYFWJWGQC-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000343705387 353968127 /nfs/dbraw/zinc/96/81/27/353968127.db2.gz FQHSUQXTJNRHNC-XHNCKOQMSA-N 1 2 241.291 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000343705387 353968130 /nfs/dbraw/zinc/96/81/30/353968130.db2.gz FQHSUQXTJNRHNC-XHNCKOQMSA-N 1 2 241.291 0.590 20 0 BCADLO CCN(CCOC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000343754385 353972480 /nfs/dbraw/zinc/97/24/80/353972480.db2.gz CRZKFQLKZGAKLN-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO CCN(CCOC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000343754385 353972482 /nfs/dbraw/zinc/97/24/82/353972482.db2.gz CRZKFQLKZGAKLN-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2CO)cn1 ZINC000343767769 353981777 /nfs/dbraw/zinc/98/17/77/353981777.db2.gz OSCAZRLHMNMJGE-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2CO)cn1 ZINC000343767769 353981781 /nfs/dbraw/zinc/98/17/81/353981781.db2.gz OSCAZRLHMNMJGE-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO CCCN(CC)C(=O)[C@H]1COCC[N@@H+]1C ZINC000343720776 353958924 /nfs/dbraw/zinc/95/89/24/353958924.db2.gz JZWWZBUMRBZUNK-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCCN(CC)C(=O)[C@H]1COCC[N@H+]1C ZINC000343720776 353958928 /nfs/dbraw/zinc/95/89/28/353958928.db2.gz JZWWZBUMRBZUNK-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]c[nH]2)c(=O)[nH]c1C ZINC000343728417 353960180 /nfs/dbraw/zinc/96/01/80/353960180.db2.gz JJKVPWRXFASYQC-UHFFFAOYSA-N 1 2 247.258 0.452 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH]c[nH+]2)c(=O)[nH]c1C ZINC000343728417 353960181 /nfs/dbraw/zinc/96/01/81/353960181.db2.gz JJKVPWRXFASYQC-UHFFFAOYSA-N 1 2 247.258 0.452 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCOC1)CC2 ZINC000627121826 363289825 /nfs/dbraw/zinc/28/98/25/363289825.db2.gz JYJYXVVONXKPIY-LLVKDONJSA-N 1 2 249.314 0.960 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343876878 354030193 /nfs/dbraw/zinc/03/01/93/354030193.db2.gz ZIPIXZFPIQRFLJ-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343910564 354038782 /nfs/dbraw/zinc/03/87/82/354038782.db2.gz QPAOVMMBAJIZHJ-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343910564 354038783 /nfs/dbraw/zinc/03/87/83/354038783.db2.gz QPAOVMMBAJIZHJ-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO Cc1ncoc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000334566980 354088878 /nfs/dbraw/zinc/08/88/78/354088878.db2.gz XNXTWVGKUJHDIB-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncc(C)n2C)C1 ZINC000343992339 354063652 /nfs/dbraw/zinc/06/36/52/354063652.db2.gz WPIRKIVTQQWBKG-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ncc(C)n2C)C1 ZINC000343992339 354063654 /nfs/dbraw/zinc/06/36/54/354063654.db2.gz WPIRKIVTQQWBKG-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@H]1C[C@@H](CO)N(Cc2[nH+]cc(C)n2C)C1 ZINC000343992339 354063657 /nfs/dbraw/zinc/06/36/57/354063657.db2.gz WPIRKIVTQQWBKG-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1cncs1 ZINC000334564993 354084463 /nfs/dbraw/zinc/08/44/63/354084463.db2.gz SIHQLKFCCFXHSS-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1cncs1 ZINC000334564993 354084465 /nfs/dbraw/zinc/08/44/65/354084465.db2.gz SIHQLKFCCFXHSS-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO COC[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059474 354128728 /nfs/dbraw/zinc/12/87/28/354128728.db2.gz LFKPPSYFBHGRDW-IUCAKERBSA-N 1 2 240.307 0.725 20 0 BCADLO COC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059474 354128731 /nfs/dbraw/zinc/12/87/31/354128731.db2.gz LFKPPSYFBHGRDW-IUCAKERBSA-N 1 2 240.307 0.725 20 0 BCADLO C[N@H+](Cc1ccc2c(n1)CCC2)[C@@H]1CCNC1=O ZINC000334562253 354118203 /nfs/dbraw/zinc/11/82/03/354118203.db2.gz WPSVZWXOIXMSLP-CYBMUJFWSA-N 1 2 245.326 0.891 20 0 BCADLO C[N@@H+](Cc1ccc2c(n1)CCC2)[C@@H]1CCNC1=O ZINC000334562253 354118205 /nfs/dbraw/zinc/11/82/05/354118205.db2.gz WPSVZWXOIXMSLP-CYBMUJFWSA-N 1 2 245.326 0.891 20 0 BCADLO Cc1cncc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000334579508 354127300 /nfs/dbraw/zinc/12/73/00/354127300.db2.gz UWOMWYHHUAOTBK-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000334579508 354127301 /nfs/dbraw/zinc/12/73/01/354127301.db2.gz UWOMWYHHUAOTBK-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231041100 363337131 /nfs/dbraw/zinc/33/71/31/363337131.db2.gz FRPLXDWSHYSRRM-VHSXEESVSA-N 1 2 217.309 0.935 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127877 354146741 /nfs/dbraw/zinc/14/67/41/354146741.db2.gz WZMKGFUFKIYIBD-RKDXNWHRSA-N 1 2 240.307 0.725 20 0 BCADLO CO[C@H](C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127877 354146745 /nfs/dbraw/zinc/14/67/45/354146745.db2.gz WZMKGFUFKIYIBD-RKDXNWHRSA-N 1 2 240.307 0.725 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@H](O)C1 ZINC000344202231 354162383 /nfs/dbraw/zinc/16/23/83/354162383.db2.gz NPBJRVIZXXEBCA-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@H](O)C1 ZINC000344202232 354162591 /nfs/dbraw/zinc/16/25/91/354162591.db2.gz NPBJRVIZXXEBCA-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ncnn1C ZINC000344189568 354179098 /nfs/dbraw/zinc/17/90/98/354179098.db2.gz XFRZHODDIYLZCH-UWVGGRQHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ncnn1C ZINC000344189568 354179101 /nfs/dbraw/zinc/17/91/01/354179101.db2.gz XFRZHODDIYLZCH-UWVGGRQHSA-N 1 2 224.308 0.408 20 0 BCADLO COC[C@H](O)CCNc1cc(C)[nH+]cn1 ZINC000231569424 363344059 /nfs/dbraw/zinc/34/40/59/363344059.db2.gz KGKWOYXXSYRHOR-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO C[C@H](O)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000344304843 354215314 /nfs/dbraw/zinc/21/53/14/354215314.db2.gz AXCZDZYMVKRPKW-ZETCQYMHSA-N 1 2 248.286 0.948 20 0 BCADLO CC(=O)NC1C[NH+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639180140 354262992 /nfs/dbraw/zinc/26/29/92/354262992.db2.gz JSQYIOIHFLQERY-SECBINFHSA-N 1 2 248.330 0.975 20 0 BCADLO CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000334596569 354229901 /nfs/dbraw/zinc/22/99/01/354229901.db2.gz IOHFKSAVLHWEJG-LURJTMIESA-N 1 2 207.224 0.160 20 0 BCADLO O=C([C@H]1CCSC1)N1CCn2cc[nH+]c2C1 ZINC000334614303 354299428 /nfs/dbraw/zinc/29/94/28/354299428.db2.gz BQCRTAVEHHBLPT-VIFPVBQESA-N 1 2 237.328 0.978 20 0 BCADLO c1nnn2c1C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000577961211 366145335 /nfs/dbraw/zinc/14/53/35/366145335.db2.gz MBPHFBRILAVUID-NSHDSACASA-N 1 2 222.292 0.663 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000577961211 366145339 /nfs/dbraw/zinc/14/53/39/366145339.db2.gz MBPHFBRILAVUID-NSHDSACASA-N 1 2 222.292 0.663 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1CC=CC1 ZINC000529708024 324381950 /nfs/dbraw/zinc/38/19/50/324381950.db2.gz HBZBNJUSQJLSGS-UHFFFAOYSA-N 1 2 205.261 0.966 20 0 BCADLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000334624614 354364332 /nfs/dbraw/zinc/36/43/32/354364332.db2.gz LVJQHAUKJRUQMO-LBPRGKRZSA-N 1 2 244.310 0.669 20 0 BCADLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000334624614 354364333 /nfs/dbraw/zinc/36/43/33/354364333.db2.gz LVJQHAUKJRUQMO-LBPRGKRZSA-N 1 2 244.310 0.669 20 0 BCADLO CC[C@H](OC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344785299 354368502 /nfs/dbraw/zinc/36/85/02/354368502.db2.gz JTPTUYFERGZPIQ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@@H](NCc1c[nH+]c(N)nc1N)C(F)(F)F ZINC000639187453 354404416 /nfs/dbraw/zinc/40/44/16/354404416.db2.gz MJKQUSKOSYJBJQ-SCSAIBSYSA-N 1 2 235.213 0.342 20 0 BCADLO C[C@H](O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000345031346 354439388 /nfs/dbraw/zinc/43/93/88/354439388.db2.gz ATKSDIUJVXHTCI-JTQLQIEISA-N 1 2 249.314 0.547 20 0 BCADLO CO[C@@H](C)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000349666235 366211114 /nfs/dbraw/zinc/21/11/14/366211114.db2.gz BQOKKWKXMWSABL-DTWKUNHWSA-N 1 2 240.307 0.695 20 0 BCADLO CO[C@@H](C)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000349666235 366211118 /nfs/dbraw/zinc/21/11/18/366211118.db2.gz BQOKKWKXMWSABL-DTWKUNHWSA-N 1 2 240.307 0.695 20 0 BCADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC(O)C1 ZINC000334665867 354467700 /nfs/dbraw/zinc/46/77/00/354467700.db2.gz FKBZYTZBHLSCQJ-GRZMOONWSA-N 1 2 249.314 0.427 20 0 BCADLO C[C@@H](C(=O)N1CC[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000335925529 134008486 /nfs/dbraw/zinc/00/84/86/134008486.db2.gz ZJWRUVOOSXCNBJ-RYUDHWBXSA-N 1 2 239.363 0.491 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC000179122077 366206579 /nfs/dbraw/zinc/20/65/79/366206579.db2.gz YUXFJXPCWAHMSO-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nncn1C ZINC000179122077 366206587 /nfs/dbraw/zinc/20/65/87/366206587.db2.gz YUXFJXPCWAHMSO-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C3(C)CC3)CC2)C1 ZINC000334734641 354535377 /nfs/dbraw/zinc/53/53/77/354535377.db2.gz IHKIWGLGQZXXQJ-JTQLQIEISA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C3(C)CC3)CC2)C1 ZINC000334734641 354535379 /nfs/dbraw/zinc/53/53/79/354535379.db2.gz IHKIWGLGQZXXQJ-JTQLQIEISA-N 1 2 238.331 0.766 20 0 BCADLO CC(C)(NC(=O)[C@@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000578076804 366223528 /nfs/dbraw/zinc/22/35/28/366223528.db2.gz YPOAPRLZIWERDU-VIFPVBQESA-N 1 2 237.303 0.922 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000334707838 354502509 /nfs/dbraw/zinc/50/25/09/354502509.db2.gz ONPLGBUPAUUYKX-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000334707838 354502513 /nfs/dbraw/zinc/50/25/13/354502513.db2.gz ONPLGBUPAUUYKX-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1[N@H+](CC(=O)N2CCC2)CCOC1(C)C ZINC000334799311 354554674 /nfs/dbraw/zinc/55/46/74/354554674.db2.gz VFHFKROELDRAPX-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1[N@@H+](CC(=O)N2CCC2)CCOC1(C)C ZINC000334799311 354554675 /nfs/dbraw/zinc/55/46/75/354554675.db2.gz VFHFKROELDRAPX-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)CC1 ZINC000334754343 354575569 /nfs/dbraw/zinc/57/55/69/354575569.db2.gz DVPCVLBLUVEICM-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)cc1C1CC1 ZINC000334754329 354575626 /nfs/dbraw/zinc/57/56/26/354575626.db2.gz CGRCNFGZCJFVSX-UHFFFAOYSA-N 1 2 248.330 0.685 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCOC1 ZINC000345377954 354645640 /nfs/dbraw/zinc/64/56/40/354645640.db2.gz JFJGGIGQDGRIAT-QMMMGPOBSA-N 1 2 222.244 0.574 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cscn1 ZINC000345383554 354647035 /nfs/dbraw/zinc/64/70/35/354647035.db2.gz VRSXVTJXBQWBJW-UHFFFAOYSA-N 1 2 221.241 0.918 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1CCC1 ZINC000345398565 354649311 /nfs/dbraw/zinc/64/93/11/354649311.db2.gz KRLJVKLNJSNUCU-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345403218 354650580 /nfs/dbraw/zinc/65/05/80/354650580.db2.gz DQOHMTFHGDALMC-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC1 ZINC000345412783 354651971 /nfs/dbraw/zinc/65/19/71/354651971.db2.gz VGFRLXQNORPBSD-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCC[N@@H+]1C ZINC000345321747 354609866 /nfs/dbraw/zinc/60/98/66/354609866.db2.gz ORFQFBYKAWFXNO-HTQZYQBOSA-N 1 2 223.280 0.017 20 0 BCADLO C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCC[N@H+]1C ZINC000345321747 354609869 /nfs/dbraw/zinc/60/98/69/354609869.db2.gz ORFQFBYKAWFXNO-HTQZYQBOSA-N 1 2 223.280 0.017 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639203393 354622587 /nfs/dbraw/zinc/62/25/87/354622587.db2.gz ULZYDAZZPWARMD-QMMMGPOBSA-N 1 2 244.316 0.911 20 0 BCADLO CC[C@H]1CC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639203393 354622590 /nfs/dbraw/zinc/62/25/90/354622590.db2.gz ULZYDAZZPWARMD-QMMMGPOBSA-N 1 2 244.316 0.911 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345686724 354732122 /nfs/dbraw/zinc/73/21/22/354732122.db2.gz GGSAUDJLAUSSAC-YUMQZZPRSA-N 1 2 236.262 0.213 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1cnn(C)c1 ZINC000578081932 366229764 /nfs/dbraw/zinc/22/97/64/366229764.db2.gz DYSOETXCIKTHIG-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cnn1 ZINC000345443116 354669911 /nfs/dbraw/zinc/66/99/11/354669911.db2.gz GTDOOHYXHVGWFE-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)NC1 ZINC000113385768 354675422 /nfs/dbraw/zinc/67/54/22/354675422.db2.gz WREOYBPYFIBMDI-VIFPVBQESA-N 1 2 233.271 0.855 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345493579 354679445 /nfs/dbraw/zinc/67/94/45/354679445.db2.gz IPOFBKXRYRTMMD-SNVBAGLBSA-N 1 2 244.335 0.200 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345493579 354679447 /nfs/dbraw/zinc/67/94/47/354679447.db2.gz IPOFBKXRYRTMMD-SNVBAGLBSA-N 1 2 244.335 0.200 20 0 BCADLO COCC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345750594 354752260 /nfs/dbraw/zinc/75/22/60/354752260.db2.gz AESPXYISWRLWLK-YUMQZZPRSA-N 1 2 236.262 0.525 20 0 BCADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1F ZINC000335121818 354760306 /nfs/dbraw/zinc/76/03/06/354760306.db2.gz MHZAOWQVTSXMNN-MWLCHTKSSA-N 1 2 223.251 0.973 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000412757806 191310920 /nfs/dbraw/zinc/31/09/20/191310920.db2.gz NANCOJHGRKPCSD-OCAPTIKFSA-N 1 2 237.259 0.400 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000345815181 354783519 /nfs/dbraw/zinc/78/35/19/354783519.db2.gz SNQDPYSCSAPXSY-RKDXNWHRSA-N 1 2 223.276 0.117 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000335134919 354783826 /nfs/dbraw/zinc/78/38/26/354783826.db2.gz PIYIVIKXRMBRGS-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000335134919 354783831 /nfs/dbraw/zinc/78/38/31/354783831.db2.gz PIYIVIKXRMBRGS-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO C[C@H]1CCN(C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000345701885 354735088 /nfs/dbraw/zinc/73/50/88/354735088.db2.gz XSFLGFPRVYMZIK-DTWKUNHWSA-N 1 2 208.265 0.845 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)C(C)C ZINC000345920673 354825968 /nfs/dbraw/zinc/82/59/68/354825968.db2.gz BZPHIARVICNGFH-JTQLQIEISA-N 1 2 239.319 0.641 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](CO)C(C)C ZINC000345920673 354825970 /nfs/dbraw/zinc/82/59/70/354825970.db2.gz BZPHIARVICNGFH-JTQLQIEISA-N 1 2 239.319 0.641 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000234058421 363414853 /nfs/dbraw/zinc/41/48/53/363414853.db2.gz YDUSZJZXMUWGQS-LLVKDONJSA-N 1 2 226.320 0.956 20 0 BCADLO CCC(=O)CCC[N@H+]1CCNC(=O)[C@H]1CC ZINC000234058421 363414855 /nfs/dbraw/zinc/41/48/55/363414855.db2.gz YDUSZJZXMUWGQS-LLVKDONJSA-N 1 2 226.320 0.956 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C1CC1 ZINC000234578998 363424765 /nfs/dbraw/zinc/42/47/65/363424765.db2.gz WTYCUTWDRMZGDT-OYNCUSHFSA-N 1 2 215.293 0.545 20 0 BCADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@@H]32)nc1=O ZINC000335143962 354850656 /nfs/dbraw/zinc/85/06/56/354850656.db2.gz UVWKWKGRVXJOTI-YUMQZZPRSA-N 1 2 208.265 0.093 20 0 BCADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@@H]32)nc1=O ZINC000335143962 354850661 /nfs/dbraw/zinc/85/06/61/354850661.db2.gz UVWKWKGRVXJOTI-YUMQZZPRSA-N 1 2 208.265 0.093 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946723 134020647 /nfs/dbraw/zinc/02/06/47/134020647.db2.gz HRGGKEGDECHCDG-DTWKUNHWSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946723 134020648 /nfs/dbraw/zinc/02/06/48/134020648.db2.gz HRGGKEGDECHCDG-DTWKUNHWSA-N 1 2 222.292 0.574 20 0 BCADLO O=C(Nc1nn[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000346263696 354884387 /nfs/dbraw/zinc/88/43/87/354884387.db2.gz MZIPGWABJASAGT-UHFFFAOYSA-N 1 2 229.203 0.100 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000346348063 354887499 /nfs/dbraw/zinc/88/74/99/354887499.db2.gz BJMYDEUFWWRRTM-NXEZZACHSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000346348063 354887502 /nfs/dbraw/zinc/88/75/02/354887502.db2.gz BJMYDEUFWWRRTM-NXEZZACHSA-N 1 2 232.299 0.258 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OC ZINC000346362751 354918191 /nfs/dbraw/zinc/91/81/91/354918191.db2.gz DNLILEXVCGRMPV-QMMMGPOBSA-N 1 2 239.275 0.328 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OC ZINC000346362751 354918192 /nfs/dbraw/zinc/91/81/92/354918192.db2.gz DNLILEXVCGRMPV-QMMMGPOBSA-N 1 2 239.275 0.328 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)O ZINC000235492663 363445526 /nfs/dbraw/zinc/44/55/26/363445526.db2.gz SZRGZKZRGBEKJC-MRVPVSSYSA-N 1 2 211.265 0.159 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234837536 363433054 /nfs/dbraw/zinc/43/30/54/363433054.db2.gz WLEZHWWDHZSPEZ-HTQZYQBOSA-N 1 2 201.266 0.563 20 0 BCADLO CCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000346421210 354923980 /nfs/dbraw/zinc/92/39/80/354923980.db2.gz UYOWXUNTPPXTGU-GFCCVEGCSA-N 1 2 241.379 0.929 20 0 BCADLO CCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000346421210 354923985 /nfs/dbraw/zinc/92/39/85/354923985.db2.gz UYOWXUNTPPXTGU-GFCCVEGCSA-N 1 2 241.379 0.929 20 0 BCADLO COc1ncc(C[N@@H+]2CCOC[C@@H](O)C2)s1 ZINC000639223081 354926481 /nfs/dbraw/zinc/92/64/81/354926481.db2.gz ONYKIUPJXTZQJW-QMMMGPOBSA-N 1 2 244.316 0.345 20 0 BCADLO COc1ncc(C[N@H+]2CCOC[C@@H](O)C2)s1 ZINC000639223081 354926484 /nfs/dbraw/zinc/92/64/84/354926484.db2.gz ONYKIUPJXTZQJW-QMMMGPOBSA-N 1 2 244.316 0.345 20 0 BCADLO CSCC[C@@H](C)[N@H+](C)Cc1nnnn1C ZINC000346522233 354974522 /nfs/dbraw/zinc/97/45/22/354974522.db2.gz CJNGPCRSHXZJBU-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO CSCC[C@@H](C)[N@@H+](C)Cc1nnnn1C ZINC000346522233 354974524 /nfs/dbraw/zinc/97/45/24/354974524.db2.gz CJNGPCRSHXZJBU-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO C[C@@H]([NH2+]CCN1CCCCC1)c1nncn1C ZINC000346548188 354984257 /nfs/dbraw/zinc/98/42/57/354984257.db2.gz RQURISYZMIGBNK-LLVKDONJSA-N 1 2 237.351 0.952 20 0 BCADLO Cc1nn(CCO)c(NCc2c[nH+]cn2C)c1C ZINC000346804000 355109190 /nfs/dbraw/zinc/10/91/90/355109190.db2.gz MJIOSOVJCDQONL-UHFFFAOYSA-N 1 2 249.318 0.838 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CC(=O)N2CCC2)CCN1C ZINC000335188022 355087280 /nfs/dbraw/zinc/08/72/80/355087280.db2.gz CLQDYTKPSGGQEL-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CC(=O)N2CCC2)CCN1C ZINC000335188022 355087284 /nfs/dbraw/zinc/08/72/84/355087284.db2.gz CLQDYTKPSGGQEL-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000352000798 134034125 /nfs/dbraw/zinc/03/41/25/134034125.db2.gz ABOJCXUZZMOLQD-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000352000798 134034126 /nfs/dbraw/zinc/03/41/26/134034126.db2.gz ABOJCXUZZMOLQD-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)CO ZINC000346848251 355136849 /nfs/dbraw/zinc/13/68/49/355136849.db2.gz PZWRNCUOMYQEGT-HTQZYQBOSA-N 1 2 225.292 0.394 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@H](C)CO ZINC000346848251 355136852 /nfs/dbraw/zinc/13/68/52/355136852.db2.gz PZWRNCUOMYQEGT-HTQZYQBOSA-N 1 2 225.292 0.394 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000346973396 355209145 /nfs/dbraw/zinc/20/91/45/355209145.db2.gz DMSZCMZSVDTUNV-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000346973396 355209147 /nfs/dbraw/zinc/20/91/47/355209147.db2.gz DMSZCMZSVDTUNV-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000335253277 355209899 /nfs/dbraw/zinc/20/98/99/355209899.db2.gz IIHVKFIPXQJUHO-QMMMGPOBSA-N 1 2 240.332 0.646 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000335253277 355209901 /nfs/dbraw/zinc/20/99/01/355209901.db2.gz IIHVKFIPXQJUHO-QMMMGPOBSA-N 1 2 240.332 0.646 20 0 BCADLO C[C@@H]1C[N@H+](Cc2c[nH]c3ncncc23)CC(=O)N1 ZINC000639232023 355213639 /nfs/dbraw/zinc/21/36/39/355213639.db2.gz YSXYKVGHCFNIFT-MRVPVSSYSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CC(=O)N1 ZINC000639232023 355213641 /nfs/dbraw/zinc/21/36/41/355213641.db2.gz YSXYKVGHCFNIFT-MRVPVSSYSA-N 1 2 245.286 0.230 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)nc1 ZINC000346961861 355170535 /nfs/dbraw/zinc/17/05/35/355170535.db2.gz ABUIXNIARYOIBP-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)nc1 ZINC000346961861 355170538 /nfs/dbraw/zinc/17/05/38/355170538.db2.gz ABUIXNIARYOIBP-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CCC[C@@H](C[NH+]1CC(S(=O)(=O)CC)C1)OC ZINC000639233209 355214753 /nfs/dbraw/zinc/21/47/53/355214753.db2.gz BNZDDQSLJDNQMC-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1CN([C@H](c2[nH+]ccn2C)C2CC2)CC(=O)N1 ZINC000639231860 355193669 /nfs/dbraw/zinc/19/36/69/355193669.db2.gz UVQWLCLOXJFKNQ-CABZTGNLSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259811 355199831 /nfs/dbraw/zinc/19/98/31/355199831.db2.gz UZWJNAGALNKQKE-YLXHPXFOSA-N 1 2 238.331 0.848 20 0 BCADLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259811 355199833 /nfs/dbraw/zinc/19/98/33/355199833.db2.gz UZWJNAGALNKQKE-YLXHPXFOSA-N 1 2 238.331 0.848 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639241979 355228027 /nfs/dbraw/zinc/22/80/27/355228027.db2.gz LBLMJKVJFQXMCB-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC000639241979 355228032 /nfs/dbraw/zinc/22/80/32/355228032.db2.gz LBLMJKVJFQXMCB-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO C[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413024063 191343529 /nfs/dbraw/zinc/34/35/29/191343529.db2.gz LKNPVQVBHBJNFE-SSDOTTSWSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413024063 191343532 /nfs/dbraw/zinc/34/35/32/191343532.db2.gz LKNPVQVBHBJNFE-SSDOTTSWSA-N 1 2 208.265 0.844 20 0 BCADLO CC(C)NC(=O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413027890 191352560 /nfs/dbraw/zinc/35/25/60/191352560.db2.gz BTSGFSKYVODYGP-UHFFFAOYSA-N 1 2 249.318 0.987 20 0 BCADLO CC(C)NC(=O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413027890 191352563 /nfs/dbraw/zinc/35/25/63/191352563.db2.gz BTSGFSKYVODYGP-UHFFFAOYSA-N 1 2 249.318 0.987 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000413463680 191382177 /nfs/dbraw/zinc/38/21/77/191382177.db2.gz YCTBKYXBUWZJQD-NTSWFWBYSA-N 1 2 244.682 0.538 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000413463680 191382180 /nfs/dbraw/zinc/38/21/80/191382180.db2.gz YCTBKYXBUWZJQD-NTSWFWBYSA-N 1 2 244.682 0.538 20 0 BCADLO CO[C@H](CC(C)C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000639245436 355269628 /nfs/dbraw/zinc/26/96/28/355269628.db2.gz XYZKAQXPQGOQBG-SNVBAGLBSA-N 1 2 249.376 0.776 20 0 BCADLO CS(=O)(=O)C1C[NH+](CCC[C@@H]2CCO2)C1 ZINC000639245455 355270330 /nfs/dbraw/zinc/27/03/30/355270330.db2.gz YIJZUOOSSMMEGL-SECBINFHSA-N 1 2 233.333 0.284 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H]2CCOC2)nc[nH+]1 ZINC000413213080 191364463 /nfs/dbraw/zinc/36/44/63/191364463.db2.gz ZEGUHMXFVFLICP-RKDXNWHRSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H]2CCOC2)[nH+]cn1 ZINC000413213080 191364466 /nfs/dbraw/zinc/36/44/66/191364466.db2.gz ZEGUHMXFVFLICP-RKDXNWHRSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@@](O)(CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413260366 191367117 /nfs/dbraw/zinc/36/71/17/191367117.db2.gz DXDMJRCDCQDFNZ-NSHDSACASA-N 1 2 238.291 0.206 20 0 BCADLO C[C@@](O)(CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413260366 191367120 /nfs/dbraw/zinc/36/71/20/191367120.db2.gz DXDMJRCDCQDFNZ-NSHDSACASA-N 1 2 238.291 0.206 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000639247398 355275816 /nfs/dbraw/zinc/27/58/16/355275816.db2.gz UOXKWNZBOLDTNW-VHSXEESVSA-N 1 2 249.318 0.058 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000639247401 355275833 /nfs/dbraw/zinc/27/58/33/355275833.db2.gz UOXKWNZBOLDTNW-ZJUUUORDSA-N 1 2 249.318 0.058 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000639260055 355310246 /nfs/dbraw/zinc/31/02/46/355310246.db2.gz ZTBMUYITNKJENF-ZJUUUORDSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000639260055 355310249 /nfs/dbraw/zinc/31/02/49/355310249.db2.gz ZTBMUYITNKJENF-ZJUUUORDSA-N 1 2 222.292 0.426 20 0 BCADLO COc1ncc(C[NH+]2CC(CCO)C2)s1 ZINC000639249496 355278427 /nfs/dbraw/zinc/27/84/27/355278427.db2.gz DNTUEEKZESAPTE-UHFFFAOYSA-N 1 2 228.317 0.966 20 0 BCADLO COC[C@@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000639251666 355284688 /nfs/dbraw/zinc/28/46/88/355284688.db2.gz CLPNLUXIACGIEB-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000639251666 355284692 /nfs/dbraw/zinc/28/46/92/355284692.db2.gz CLPNLUXIACGIEB-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cc1ccnc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000349745000 355422395 /nfs/dbraw/zinc/42/23/95/355422395.db2.gz NZAIOVPGUFWIAU-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000335785104 355433967 /nfs/dbraw/zinc/43/39/67/355433967.db2.gz XKARESVUQZZICA-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000335785104 355433969 /nfs/dbraw/zinc/43/39/69/355433969.db2.gz XKARESVUQZZICA-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000335786223 355436277 /nfs/dbraw/zinc/43/62/77/355436277.db2.gz LUIOUROVQCXFNX-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000335786223 355436278 /nfs/dbraw/zinc/43/62/78/355436278.db2.gz LUIOUROVQCXFNX-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335794436 355449451 /nfs/dbraw/zinc/44/94/51/355449451.db2.gz SEYBIBSKYMTMJI-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335794436 355449454 /nfs/dbraw/zinc/44/94/54/355449454.db2.gz SEYBIBSKYMTMJI-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)CC1(C)C ZINC000335814303 355502900 /nfs/dbraw/zinc/50/29/00/355502900.db2.gz QINOIWVSICJCSW-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)CC1(C)C ZINC000335814303 355502903 /nfs/dbraw/zinc/50/29/03/355502903.db2.gz QINOIWVSICJCSW-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1CC=CCC1)[NH+]1CCOCC1 ZINC000335996510 134042236 /nfs/dbraw/zinc/04/22/36/134042236.db2.gz YAQWRXXACZULCJ-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO C[N@H+](CCCCO)Cc1nnc(C2CC2)[nH]1 ZINC000349944181 355533891 /nfs/dbraw/zinc/53/38/91/355533891.db2.gz IENWHNBLSBBZBC-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO C[N@@H+](CCCCO)Cc1nnc(C2CC2)[nH]1 ZINC000349944181 355533896 /nfs/dbraw/zinc/53/38/96/355533896.db2.gz IENWHNBLSBBZBC-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000623241906 355535368 /nfs/dbraw/zinc/53/53/68/355535368.db2.gz IPQXGFJGPPOBEH-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000623241906 355535371 /nfs/dbraw/zinc/53/53/71/355535371.db2.gz IPQXGFJGPPOBEH-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO O=C(N1CCC1)C1([NH+]2CCOCC2)CCC1 ZINC000335826802 355551930 /nfs/dbraw/zinc/55/19/30/355551930.db2.gz MIDIIGDHUCGDDR-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335831457 355558288 /nfs/dbraw/zinc/55/82/88/355558288.db2.gz SJVPUYXYWSNXSO-KOLCDFICSA-N 1 2 237.303 0.331 20 0 BCADLO CC(C)OCC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000349877512 355515776 /nfs/dbraw/zinc/51/57/76/355515776.db2.gz HZMTYPFEMTXAKN-NSHDSACASA-N 1 2 249.376 0.227 20 0 BCADLO CCC[C@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296701 355583137 /nfs/dbraw/zinc/58/31/37/355583137.db2.gz PGZRQKWVRNDJHX-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCC[C@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296701 355583139 /nfs/dbraw/zinc/58/31/39/355583139.db2.gz PGZRQKWVRNDJHX-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CO[C@](C)([C@@H](C)[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000583551379 355578683 /nfs/dbraw/zinc/57/86/83/355578683.db2.gz ONCYWZKWRBZZNH-LDYMZIIASA-N 1 2 239.323 0.503 20 0 BCADLO Cc1nccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000350219020 355651336 /nfs/dbraw/zinc/65/13/36/355651336.db2.gz KQFBVLIAGUAGPU-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO Cc1nccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000350219020 355651338 /nfs/dbraw/zinc/65/13/38/355651338.db2.gz KQFBVLIAGUAGPU-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO NC(=O)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000330470553 181204161 /nfs/dbraw/zinc/20/41/61/181204161.db2.gz MTSBSDHNKAAXDG-VIFPVBQESA-N 1 2 236.275 0.799 20 0 BCADLO O=C(NC1CCC1)C1([NH+]2CCOCC2)CCC1 ZINC000335867405 355632043 /nfs/dbraw/zinc/63/20/43/355632043.db2.gz XVQCIAFPKUDAFZ-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000335872135 355638935 /nfs/dbraw/zinc/63/89/35/355638935.db2.gz AWRUPXGXGZFOCV-LLVKDONJSA-N 1 2 214.309 0.167 20 0 BCADLO Cc1ccoc1C[NH2+]Cc1cc(C(N)=O)no1 ZINC000350395688 355695928 /nfs/dbraw/zinc/69/59/28/355695928.db2.gz VEAMAYLJSLRLKY-UHFFFAOYSA-N 1 2 235.243 0.965 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccncn1 ZINC000582190912 355700374 /nfs/dbraw/zinc/70/03/74/355700374.db2.gz IHGQDGPMHMOLJC-UHFFFAOYSA-N 1 2 231.259 0.623 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC000331649331 181205213 /nfs/dbraw/zinc/20/52/13/181205213.db2.gz KWTKOUDVXONLEO-SECBINFHSA-N 1 2 225.292 0.512 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC000331649331 181205214 /nfs/dbraw/zinc/20/52/14/181205214.db2.gz KWTKOUDVXONLEO-SECBINFHSA-N 1 2 225.292 0.512 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000335886077 355677284 /nfs/dbraw/zinc/67/72/84/355677284.db2.gz ZKSBUMOQJQEIKA-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO CNC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000335886077 355677285 /nfs/dbraw/zinc/67/72/85/355677285.db2.gz ZKSBUMOQJQEIKA-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CS[C@H](C)C2)[nH]1 ZINC000639311367 355682445 /nfs/dbraw/zinc/68/24/45/355682445.db2.gz MTCCJKKMJSAWBI-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO NC(=O)CCCCC(=O)Nc1cc[nH+]cc1O ZINC000352053512 134050732 /nfs/dbraw/zinc/05/07/32/134050732.db2.gz UJEGMKJGNFDYFF-UHFFFAOYSA-N 1 2 237.259 0.193 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639336158 355769771 /nfs/dbraw/zinc/76/97/71/355769771.db2.gz FUDAUDISAUDNMD-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639336158 355769775 /nfs/dbraw/zinc/76/97/75/355769775.db2.gz FUDAUDISAUDNMD-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639337482 355775784 /nfs/dbraw/zinc/77/57/84/355775784.db2.gz RTVRDJGTYYSBSI-NSHDSACASA-N 1 2 224.304 0.696 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639337482 355775786 /nfs/dbraw/zinc/77/57/86/355775786.db2.gz RTVRDJGTYYSBSI-NSHDSACASA-N 1 2 224.304 0.696 20 0 BCADLO C[N@@H+]1CCN(Cc2cccs2)[C@H](CO)C1 ZINC000639337567 355776017 /nfs/dbraw/zinc/77/60/17/355776017.db2.gz UGNCDULDMWCCLU-JTQLQIEISA-N 1 2 226.345 0.856 20 0 BCADLO C[N@H+]1CCN(Cc2cccs2)[C@H](CO)C1 ZINC000639337567 355776020 /nfs/dbraw/zinc/77/60/20/355776020.db2.gz UGNCDULDMWCCLU-JTQLQIEISA-N 1 2 226.345 0.856 20 0 BCADLO CCc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639338423 355779323 /nfs/dbraw/zinc/77/93/23/355779323.db2.gz ZWKDMNPRVIQINA-NSHDSACASA-N 1 2 238.331 0.950 20 0 BCADLO CCc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639338423 355779324 /nfs/dbraw/zinc/77/93/24/355779324.db2.gz ZWKDMNPRVIQINA-NSHDSACASA-N 1 2 238.331 0.950 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cc(C)nn2C)C1 ZINC000425376577 191830279 /nfs/dbraw/zinc/83/02/79/191830279.db2.gz XQEPMGBBFMSIQK-UHFFFAOYSA-N 1 2 237.303 0.723 20 0 BCADLO Cc1cnc(C[NH2+]CCN2CC[C@@H](O)C2)o1 ZINC000639355864 355809738 /nfs/dbraw/zinc/80/97/38/355809738.db2.gz ZOMVTJOXGBTNAS-SNVBAGLBSA-N 1 2 225.292 0.139 20 0 BCADLO c1nn[nH]c1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000628363646 355847672 /nfs/dbraw/zinc/84/76/72/355847672.db2.gz RZGZSXVXAVGIQE-UHFFFAOYSA-N 1 2 229.287 0.978 20 0 BCADLO CCO[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623254262 355852842 /nfs/dbraw/zinc/85/28/42/355852842.db2.gz SHYWZAQHMZXAQN-ZYHUDNBSSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccnn1 ZINC000623254319 355852852 /nfs/dbraw/zinc/85/28/52/355852852.db2.gz XZWIQPZEOBFOFB-MRVPVSSYSA-N 1 2 229.243 0.028 20 0 BCADLO O=C(Cc1cscn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254575 355855997 /nfs/dbraw/zinc/85/59/97/355855997.db2.gz KBYPLIGEOIUSNH-QMMMGPOBSA-N 1 2 248.311 0.623 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ncccc1F ZINC000623254817 355856106 /nfs/dbraw/zinc/85/61/06/355856106.db2.gz ZNXNKDNSWRCFKE-QMMMGPOBSA-N 1 2 246.245 0.772 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623255183 355856406 /nfs/dbraw/zinc/85/64/06/355856406.db2.gz SCXOHUWNNVKORT-JFGNBEQYSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255509 355860250 /nfs/dbraw/zinc/86/02/50/355860250.db2.gz JLONMFUASWZKMJ-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO C[C@@H](CO)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000608564665 355860755 /nfs/dbraw/zinc/86/07/55/355860755.db2.gz CUZQPNPOJBRTBX-SECBINFHSA-N 1 2 224.308 0.285 20 0 BCADLO C[C@@H](CO)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000608564665 355860757 /nfs/dbraw/zinc/86/07/57/355860757.db2.gz CUZQPNPOJBRTBX-SECBINFHSA-N 1 2 224.308 0.285 20 0 BCADLO COC1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000563897017 355867839 /nfs/dbraw/zinc/86/78/39/355867839.db2.gz RGKWYEQEYPPELC-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO COC1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000563897017 355867841 /nfs/dbraw/zinc/86/78/41/355867841.db2.gz RGKWYEQEYPPELC-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO Cc1cccc2[nH+]c(CN3CC(=O)N(C)C3)cn21 ZINC000336035899 134059761 /nfs/dbraw/zinc/05/97/61/134059761.db2.gz LLWVWAODIKZNID-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO CC1([NH2+]Cc2cn3cccnc3n2)COC1 ZINC000639380313 355917543 /nfs/dbraw/zinc/91/75/43/355917543.db2.gz DPBQMBPIDUQNKG-UHFFFAOYSA-N 1 2 218.260 0.608 20 0 BCADLO COCC1(C2CC2)C[NH+](Cc2cn(C)nn2)C1 ZINC000639380552 355918569 /nfs/dbraw/zinc/91/85/69/355918569.db2.gz SPHGXCRIBNTPHO-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO NC(=O)CC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000360055644 181219930 /nfs/dbraw/zinc/21/99/30/181219930.db2.gz PLFRJLRHTUZRLM-UHFFFAOYSA-N 1 2 232.287 0.666 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000351522353 356007919 /nfs/dbraw/zinc/00/79/19/356007919.db2.gz XMNHFSLOMXWGOW-GMSGAONNSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000351522353 356007921 /nfs/dbraw/zinc/00/79/21/356007921.db2.gz XMNHFSLOMXWGOW-GMSGAONNSA-N 1 2 211.265 0.896 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2cocn2)CC1 ZINC000351472781 355997213 /nfs/dbraw/zinc/99/72/13/355997213.db2.gz QEYMVJCPENCNCM-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccsn1 ZINC000623256453 355948622 /nfs/dbraw/zinc/94/86/22/355948622.db2.gz LUGFTGKGOSXRNK-SSDOTTSWSA-N 1 2 234.284 0.694 20 0 BCADLO CCn1nnc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639383361 355950029 /nfs/dbraw/zinc/95/00/29/355950029.db2.gz BCDHPCHUCDYCOE-PHIMTYICSA-N 1 2 236.319 0.970 20 0 BCADLO CCn1nnc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639383361 355950035 /nfs/dbraw/zinc/95/00/35/355950035.db2.gz BCDHPCHUCDYCOE-PHIMTYICSA-N 1 2 236.319 0.970 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351151850 355955044 /nfs/dbraw/zinc/95/50/44/355955044.db2.gz XQYWXTGWWUGUSO-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351151850 355955045 /nfs/dbraw/zinc/95/50/45/355955045.db2.gz XQYWXTGWWUGUSO-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC[C@@](C)(CO)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256495 355960123 /nfs/dbraw/zinc/96/01/23/355960123.db2.gz MYIMOEPKNAEDOK-CABZTGNLSA-N 1 2 237.303 0.333 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000639390673 356031076 /nfs/dbraw/zinc/03/10/76/356031076.db2.gz JIGZWPNGEJYWNB-PHDIDXHHSA-N 1 2 220.198 0.856 20 0 BCADLO c1cncc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000351643672 356042481 /nfs/dbraw/zinc/04/24/81/356042481.db2.gz JDESXCUNIBRJAU-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO c1cncc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000351643672 356042482 /nfs/dbraw/zinc/04/24/82/356042482.db2.gz JDESXCUNIBRJAU-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO NC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273118538 181236910 /nfs/dbraw/zinc/23/69/10/181236910.db2.gz PFSIMKJXKWJUGJ-MRVPVSSYSA-N 1 2 230.214 0.073 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000351647709 356044596 /nfs/dbraw/zinc/04/45/96/356044596.db2.gz JMQUAFYOTJWXNV-WEDXCCLWSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000351647709 356044599 /nfs/dbraw/zinc/04/45/99/356044599.db2.gz JMQUAFYOTJWXNV-WEDXCCLWSA-N 1 2 225.292 0.999 20 0 BCADLO NC(=O)C[NH+]1CC(Cc2ccccc2F)C1 ZINC000371342952 181231040 /nfs/dbraw/zinc/23/10/40/181231040.db2.gz DEVDEVXOKPDOJE-UHFFFAOYSA-N 1 2 222.263 0.785 20 0 BCADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1nc(C)no1 ZINC000351583674 356021353 /nfs/dbraw/zinc/02/13/53/356021353.db2.gz VCOUWDFMAMXWFP-ZJUUUORDSA-N 1 2 241.291 0.662 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2Cc3cncn3C2)C1 ZINC000623257715 356027405 /nfs/dbraw/zinc/02/74/05/356027405.db2.gz RWZIMWDAFWFTOD-JTQLQIEISA-N 1 2 248.330 0.266 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC1(F)F ZINC000623257885 356029748 /nfs/dbraw/zinc/02/97/48/356029748.db2.gz YHFWLYLTNGNDLQ-XPUUQOCRSA-N 1 2 227.214 0.579 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257945 356030517 /nfs/dbraw/zinc/03/05/17/356030517.db2.gz ZUWXKBSMGOSNDX-FXPVBKGRSA-N 1 2 219.288 0.970 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260635 356119293 /nfs/dbraw/zinc/11/92/93/356119293.db2.gz LLJBYTKZELJTQY-KHQFGBGNSA-N 1 2 205.261 0.580 20 0 BCADLO CC1(C)C[NH+](Cc2cnc(N)nc2N)C1 ZINC000639393379 356071756 /nfs/dbraw/zinc/07/17/56/356071756.db2.gz KWMNLOREISELLA-UHFFFAOYSA-N 1 2 207.281 0.144 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000351795849 356080061 /nfs/dbraw/zinc/08/00/61/356080061.db2.gz QFHXQPWIZAVACL-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000351795849 356080066 /nfs/dbraw/zinc/08/00/66/356080066.db2.gz QFHXQPWIZAVACL-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623258908 356086712 /nfs/dbraw/zinc/08/67/12/356086712.db2.gz JRFXAHBJXQIHKM-WYFGTUCQSA-N 1 2 249.314 0.738 20 0 BCADLO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353179083 181252530 /nfs/dbraw/zinc/25/25/30/181252530.db2.gz YLRXPMDENLHDPO-LURJTMIESA-N 1 2 235.234 0.301 20 0 BCADLO NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353179083 181252531 /nfs/dbraw/zinc/25/25/31/181252531.db2.gz YLRXPMDENLHDPO-LURJTMIESA-N 1 2 235.234 0.301 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262029 356161972 /nfs/dbraw/zinc/16/19/72/356161972.db2.gz LLJBYTKZELJTQY-NRPADANISA-N 1 2 205.261 0.580 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261251 356143909 /nfs/dbraw/zinc/14/39/09/356143909.db2.gz IAQJTGGKFWDDOH-CABZTGNLSA-N 1 2 237.303 0.331 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623261564 356149043 /nfs/dbraw/zinc/14/90/43/356149043.db2.gz XHTFNRGVIUALKA-KOLCDFICSA-N 1 2 237.303 0.595 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000623264520 356236472 /nfs/dbraw/zinc/23/64/72/356236472.db2.gz NJMWODXJYCNSJJ-BXKDBHETSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCS1 ZINC000623263998 356228424 /nfs/dbraw/zinc/22/84/24/356228424.db2.gz CKEFLYXOZJYGHN-WPRPVWTQSA-N 1 2 237.328 0.820 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC000623264781 356230375 /nfs/dbraw/zinc/23/03/75/356230375.db2.gz UIEDUZNHWVYTFZ-VIFPVBQESA-N 1 2 235.287 0.229 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374159229 192015388 /nfs/dbraw/zinc/01/53/88/192015388.db2.gz LVTHFVACNOGSQM-GGZOMVNGSA-N 1 2 248.330 0.817 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000276213649 181260871 /nfs/dbraw/zinc/26/08/71/181260871.db2.gz KYYAUTGOYHJDDD-SNVBAGLBSA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000276213649 181260872 /nfs/dbraw/zinc/26/08/72/181260872.db2.gz KYYAUTGOYHJDDD-SNVBAGLBSA-N 1 2 238.266 0.463 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cncc(F)c1 ZINC000623264606 356236577 /nfs/dbraw/zinc/23/65/77/356236577.db2.gz PFNKQHXKOHAKEM-SNVBAGLBSA-N 1 2 246.245 0.772 20 0 BCADLO CC[C@@H](C)OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263197 356198538 /nfs/dbraw/zinc/19/85/38/356198538.db2.gz FSIAIYJGOZXYTE-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263685 356201764 /nfs/dbraw/zinc/20/17/64/356201764.db2.gz UHKUUZSWPIEHCF-KOLCDFICSA-N 1 2 237.303 0.475 20 0 BCADLO CCc1nc(CN2CCn3cc[nH+]c3C2)no1 ZINC000331861242 356203854 /nfs/dbraw/zinc/20/38/54/356203854.db2.gz QMZVTOIAISAJHM-UHFFFAOYSA-N 1 2 233.275 0.844 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000332655553 181262045 /nfs/dbraw/zinc/26/20/45/181262045.db2.gz MNUAUYJWTLFJEU-ZETCQYMHSA-N 1 2 226.305 0.386 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000332655553 181262047 /nfs/dbraw/zinc/26/20/47/181262047.db2.gz MNUAUYJWTLFJEU-ZETCQYMHSA-N 1 2 226.305 0.386 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639473250 356265691 /nfs/dbraw/zinc/26/56/91/356265691.db2.gz XEJSGXYZDYXLPS-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639473250 356265693 /nfs/dbraw/zinc/26/56/93/356265693.db2.gz XEJSGXYZDYXLPS-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639476655 356271162 /nfs/dbraw/zinc/27/11/62/356271162.db2.gz PRSFEKXVVRDQQC-VIFPVBQESA-N 1 2 223.276 0.589 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639476655 356271169 /nfs/dbraw/zinc/27/11/69/356271169.db2.gz PRSFEKXVVRDQQC-VIFPVBQESA-N 1 2 223.276 0.589 20 0 BCADLO CCOCC[NH+]1CCN(CC(C)=O)CC1 ZINC000639477876 356278271 /nfs/dbraw/zinc/27/82/71/356278271.db2.gz CJZCDUXZCYCIFP-UHFFFAOYSA-N 1 2 214.309 0.230 20 0 BCADLO NC(=O)[C@@H](NCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000361744964 181265131 /nfs/dbraw/zinc/26/51/31/181265131.db2.gz OQPSOTGIWCWQCY-NSHDSACASA-N 1 2 248.261 0.865 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@@H]1c1[nH]c[nH+]c1C ZINC000333949742 356327659 /nfs/dbraw/zinc/32/76/59/356327659.db2.gz XMYZTSKBOFQSNJ-VIFPVBQESA-N 1 2 222.292 0.947 20 0 BCADLO Cc1[nH]nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1C ZINC000623265642 356299358 /nfs/dbraw/zinc/29/93/58/356299358.db2.gz KMNKMOLKXWBXNW-SECBINFHSA-N 1 2 245.286 0.578 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617735752 356303853 /nfs/dbraw/zinc/30/38/53/356303853.db2.gz UACVMFZXJRZASH-GMTAPVOTSA-N 1 2 244.335 0.247 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617735752 356303856 /nfs/dbraw/zinc/30/38/56/356303856.db2.gz UACVMFZXJRZASH-GMTAPVOTSA-N 1 2 244.335 0.247 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266172 356304559 /nfs/dbraw/zinc/30/45/59/356304559.db2.gz UDTLYULNXBLKBQ-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617743067 356305299 /nfs/dbraw/zinc/30/52/99/356305299.db2.gz FPTNBGZBJILIJA-IRCOFANPSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617743067 356305303 /nfs/dbraw/zinc/30/53/03/356305303.db2.gz FPTNBGZBJILIJA-IRCOFANPSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(C)(C)C[NH3+] ZINC000420289985 192201239 /nfs/dbraw/zinc/20/12/39/192201239.db2.gz LAWUTOYIFHBOMN-GFCCVEGCSA-N 1 2 243.395 0.624 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267225 356318845 /nfs/dbraw/zinc/31/88/45/356318845.db2.gz NGMXBEMZWZPMCF-MRVPVSSYSA-N 1 2 223.276 0.349 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCOC1 ZINC000623267940 356332459 /nfs/dbraw/zinc/33/24/59/356332459.db2.gz BWINYTPNDKYVMO-VHSXEESVSA-N 1 2 235.287 0.351 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000639518005 356360044 /nfs/dbraw/zinc/36/00/44/356360044.db2.gz VTPOEZYSOBBGKJ-JTQLQIEISA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000639518005 356360047 /nfs/dbraw/zinc/36/00/47/356360047.db2.gz VTPOEZYSOBBGKJ-JTQLQIEISA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000639518005 356360049 /nfs/dbraw/zinc/36/00/49/356360049.db2.gz VTPOEZYSOBBGKJ-JTQLQIEISA-N 1 2 222.292 0.882 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000639518005 356360052 /nfs/dbraw/zinc/36/00/52/356360052.db2.gz VTPOEZYSOBBGKJ-JTQLQIEISA-N 1 2 222.292 0.882 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCOC1 ZINC000623267941 356330396 /nfs/dbraw/zinc/33/03/96/356330396.db2.gz BWINYTPNDKYVMO-ZJUUUORDSA-N 1 2 235.287 0.351 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)C[C@H](C)O ZINC000352185692 134098716 /nfs/dbraw/zinc/09/87/16/134098716.db2.gz FNWJYPFTNXOJMK-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)C[C@H](C)O ZINC000352185692 134098717 /nfs/dbraw/zinc/09/87/17/134098717.db2.gz FNWJYPFTNXOJMK-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(CC)[nH+]cn1 ZINC000049217245 356377711 /nfs/dbraw/zinc/37/77/11/356377711.db2.gz BTOXEFYVZIEVIE-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000092735632 181272339 /nfs/dbraw/zinc/27/23/39/181272339.db2.gz OOQCCKPINGCIBG-NSHDSACASA-N 1 2 236.271 0.078 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000092735632 181272340 /nfs/dbraw/zinc/27/23/40/181272340.db2.gz OOQCCKPINGCIBG-NSHDSACASA-N 1 2 236.271 0.078 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270991 356385905 /nfs/dbraw/zinc/38/59/05/356385905.db2.gz PXHVTXRZKAAKJL-MWLCHTKSSA-N 1 2 249.314 0.739 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271499 356391857 /nfs/dbraw/zinc/39/18/57/356391857.db2.gz ACASFLZLEIVGFP-JMJZKYOTSA-N 1 2 235.287 0.349 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623272943 356397658 /nfs/dbraw/zinc/39/76/58/356397658.db2.gz GACUYOFEULSPFX-KOLCDFICSA-N 1 2 235.287 0.493 20 0 BCADLO CC[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623275204 356410095 /nfs/dbraw/zinc/41/00/95/356410095.db2.gz CKLTUVONOWKSSZ-BDAKNGLRSA-N 1 2 207.277 0.970 20 0 BCADLO O=C(CC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274374 356410168 /nfs/dbraw/zinc/41/01/68/356410168.db2.gz LDHGGAZQUGCZDB-VIFPVBQESA-N 1 2 205.261 0.724 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc[nH]c1=O ZINC000623276176 356414171 /nfs/dbraw/zinc/41/41/71/356414171.db2.gz WGZKVWDHQKJEMO-QMMMGPOBSA-N 1 2 244.254 0.338 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCc1ccccn1 ZINC000299743638 181274688 /nfs/dbraw/zinc/27/46/88/181274688.db2.gz LXHQIDSWGIZMFH-KOLCDFICSA-N 1 2 237.278 0.522 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCc1ccccn1 ZINC000299743638 181274691 /nfs/dbraw/zinc/27/46/91/181274691.db2.gz LXHQIDSWGIZMFH-KOLCDFICSA-N 1 2 237.278 0.522 20 0 BCADLO C[C@H](C(=O)N1CCC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000336145410 134102386 /nfs/dbraw/zinc/10/23/86/134102386.db2.gz SSZIJVRDOGBCML-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CC1(C)C[N@H+](CC(=O)NC(N)=O)C(C)(C)CO1 ZINC000609672002 356419671 /nfs/dbraw/zinc/41/96/71/356419671.db2.gz UKFDKHGINHJVBL-UHFFFAOYSA-N 1 2 243.307 0.071 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)NC(N)=O)C(C)(C)CO1 ZINC000609672002 356419673 /nfs/dbraw/zinc/41/96/73/356419673.db2.gz UKFDKHGINHJVBL-UHFFFAOYSA-N 1 2 243.307 0.071 20 0 BCADLO C[C@H]([NH3+])CCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000420411349 192239470 /nfs/dbraw/zinc/23/94/70/192239470.db2.gz BSAOHWOXBNBZNE-WDSKDSINSA-N 1 2 248.270 0.594 20 0 BCADLO Cc1noc(C)c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278703 356427162 /nfs/dbraw/zinc/42/71/62/356427162.db2.gz AVLDHVSFTAYCPE-SECBINFHSA-N 1 2 246.270 0.843 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639551207 356432588 /nfs/dbraw/zinc/43/25/88/356432588.db2.gz HYCZIPZZLBEDHU-PSASIEDQSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639551207 356432592 /nfs/dbraw/zinc/43/25/92/356432592.db2.gz HYCZIPZZLBEDHU-PSASIEDQSA-N 1 2 237.303 0.977 20 0 BCADLO Cc1c[nH]cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274101 356409203 /nfs/dbraw/zinc/40/92/03/356409203.db2.gz DLZVEPINEKYMFO-VIFPVBQESA-N 1 2 230.271 0.874 20 0 BCADLO CCc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]n1 ZINC000623274833 356409226 /nfs/dbraw/zinc/40/92/26/356409226.db2.gz WDODKHAQFBPBNM-VIFPVBQESA-N 1 2 245.286 0.523 20 0 BCADLO CC[C@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000420770603 192259028 /nfs/dbraw/zinc/25/90/28/192259028.db2.gz ZEZJIBQGNIDPMS-NSHDSACASA-N 1 2 243.351 0.664 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)N2CCCC2)cn1 ZINC000613502636 363465753 /nfs/dbraw/zinc/46/57/53/363465753.db2.gz MTJOCNCMXXFSFP-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCCC2)cn1 ZINC000613502636 363465758 /nfs/dbraw/zinc/46/57/58/363465758.db2.gz MTJOCNCMXXFSFP-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO NC(=O)[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276533184 181279777 /nfs/dbraw/zinc/27/97/77/181279777.db2.gz DZTLXRHGLNJVCU-ORAHPGNNSA-N 1 2 248.286 0.289 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[C@H](O)C1 ZINC000336166088 134113494 /nfs/dbraw/zinc/11/34/94/134113494.db2.gz OCVUWHVJIHOTMT-WPRPVWTQSA-N 1 2 223.276 0.577 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[C@H](O)C1 ZINC000336166088 134113495 /nfs/dbraw/zinc/11/34/95/134113495.db2.gz OCVUWHVJIHOTMT-WPRPVWTQSA-N 1 2 223.276 0.577 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccoc1 ZINC000336175079 134116753 /nfs/dbraw/zinc/11/67/53/134116753.db2.gz QSIXTBAMHYEOIV-VIFPVBQESA-N 1 2 244.316 0.604 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccoc1 ZINC000336175079 134116754 /nfs/dbraw/zinc/11/67/54/134116754.db2.gz QSIXTBAMHYEOIV-VIFPVBQESA-N 1 2 244.316 0.604 20 0 BCADLO NC(=O)[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270552323 181283912 /nfs/dbraw/zinc/28/39/12/181283912.db2.gz GNTZHBSLFWODDY-SNVBAGLBSA-N 1 2 246.270 0.253 20 0 BCADLO CCC(CC)(NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000578107162 366253489 /nfs/dbraw/zinc/25/34/89/366253489.db2.gz XDWPULXBAGGWBU-UHFFFAOYSA-N 1 2 238.291 0.043 20 0 BCADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000420956282 192278902 /nfs/dbraw/zinc/27/89/02/192278902.db2.gz YUANPONIAFTDLS-XVKPBYJWSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000420956282 192278904 /nfs/dbraw/zinc/27/89/04/192278904.db2.gz YUANPONIAFTDLS-XVKPBYJWSA-N 1 2 229.711 0.886 20 0 BCADLO COc1ccccc1[C@H](CO)[NH2+]CC(C)=O ZINC000639597513 356516330 /nfs/dbraw/zinc/51/63/30/356516330.db2.gz KUBOEWDPRHKOKB-NSHDSACASA-N 1 2 223.272 0.907 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+](CCO)CC(F)F ZINC000639619938 356534503 /nfs/dbraw/zinc/53/45/03/356534503.db2.gz WIPZVGDZBRWMKP-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000639619938 356534507 /nfs/dbraw/zinc/53/45/07/356534507.db2.gz WIPZVGDZBRWMKP-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO c1cnc(CC[N@@H+]2CCOC[C@]23CCOC3)cn1 ZINC000639625500 356539336 /nfs/dbraw/zinc/53/93/36/356539336.db2.gz XOSILRGZEPYXJJ-CYBMUJFWSA-N 1 2 249.314 0.510 20 0 BCADLO c1cnc(CC[N@H+]2CCOC[C@]23CCOC3)cn1 ZINC000639625500 356539338 /nfs/dbraw/zinc/53/93/38/356539338.db2.gz XOSILRGZEPYXJJ-CYBMUJFWSA-N 1 2 249.314 0.510 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000639623023 356541954 /nfs/dbraw/zinc/54/19/54/356541954.db2.gz HEDNNCMUGNGUDF-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000639623023 356541959 /nfs/dbraw/zinc/54/19/59/356541959.db2.gz HEDNNCMUGNGUDF-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000639641568 356554505 /nfs/dbraw/zinc/55/45/05/356554505.db2.gz JYXCJNSKYDCHNM-LLVKDONJSA-N 1 2 213.277 0.457 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000639641568 356554506 /nfs/dbraw/zinc/55/45/06/356554506.db2.gz JYXCJNSKYDCHNM-LLVKDONJSA-N 1 2 213.277 0.457 20 0 BCADLO CCOCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299150 356556704 /nfs/dbraw/zinc/55/67/04/356556704.db2.gz RJZLWKFQIWNSFO-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)[nH]1 ZINC000421025982 192308310 /nfs/dbraw/zinc/30/83/10/192308310.db2.gz RJQANCLPMPKFGV-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)[nH]1 ZINC000421025982 192308313 /nfs/dbraw/zinc/30/83/13/192308313.db2.gz RJQANCLPMPKFGV-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300771 356570942 /nfs/dbraw/zinc/57/09/42/356570942.db2.gz ZKHWWLNQIVUXRV-ONGXEEELSA-N 1 2 237.303 0.331 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000053815853 363490136 /nfs/dbraw/zinc/49/01/36/363490136.db2.gz WASAGQRSKXJPCZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000053815853 363490142 /nfs/dbraw/zinc/49/01/42/363490142.db2.gz WASAGQRSKXJPCZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304462 356591991 /nfs/dbraw/zinc/59/19/91/356591991.db2.gz YXHNWOMZIGPZLC-KOLCDFICSA-N 1 2 237.303 0.739 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623301231 356575266 /nfs/dbraw/zinc/57/52/66/356575266.db2.gz HNLAARCLGXXGIH-CMPLNLGQSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623301232 356575911 /nfs/dbraw/zinc/57/59/11/356575911.db2.gz HNLAARCLGXXGIH-JQWIXIFHSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(COC(F)F)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301913 356577592 /nfs/dbraw/zinc/57/75/92/356577592.db2.gz WEQFEAOFEWSCGK-ZETCQYMHSA-N 1 2 245.229 0.553 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000639666398 356581326 /nfs/dbraw/zinc/58/13/26/356581326.db2.gz QUPWSPAQYCVZAB-YUMQZZPRSA-N 1 2 225.210 0.821 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000639666398 356581329 /nfs/dbraw/zinc/58/13/29/356581329.db2.gz QUPWSPAQYCVZAB-YUMQZZPRSA-N 1 2 225.210 0.821 20 0 BCADLO Cc1[nH]c(CN(C)Cc2n[nH]c(=O)o2)[nH+]c1C ZINC000639676035 356584551 /nfs/dbraw/zinc/58/45/51/356584551.db2.gz KXPIBHCAFFUXDI-UHFFFAOYSA-N 1 2 237.263 0.747 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000639677023 356585778 /nfs/dbraw/zinc/58/57/78/356585778.db2.gz GEQFCYDXUQWQAV-BDAKNGLRSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000639677023 356585780 /nfs/dbraw/zinc/58/57/80/356585780.db2.gz GEQFCYDXUQWQAV-BDAKNGLRSA-N 1 2 223.263 0.707 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C)c1ccn(C)n1 ZINC000639671350 356587330 /nfs/dbraw/zinc/58/73/30/356587330.db2.gz PZWIGPPOLDDXHP-QMMMGPOBSA-N 1 2 210.281 0.159 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC000623307603 356612126 /nfs/dbraw/zinc/61/21/26/356612126.db2.gz KFTPWOYLIIHWJG-MFKMUULPSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1C ZINC000639689028 356597728 /nfs/dbraw/zinc/59/77/28/356597728.db2.gz UXABYTQJQIKENX-UTLUCORTSA-N 1 2 241.335 0.014 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1C ZINC000639689028 356597731 /nfs/dbraw/zinc/59/77/31/356597731.db2.gz UXABYTQJQIKENX-UTLUCORTSA-N 1 2 241.335 0.014 20 0 BCADLO CCOCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305358 356599335 /nfs/dbraw/zinc/59/93/35/356599335.db2.gz QMJGOPNHYLTIEQ-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305460 356599411 /nfs/dbraw/zinc/59/94/11/356599411.db2.gz SEJPTCNZNGCZBP-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305359 356599626 /nfs/dbraw/zinc/59/96/26/356599626.db2.gz QMJGOPNHYLTIEQ-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cn[nH]c1 ZINC000639691041 356600550 /nfs/dbraw/zinc/60/05/50/356600550.db2.gz QSCLTYZXPNLIHN-KXUCPTDWSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cn[nH]c1 ZINC000639691041 356600553 /nfs/dbraw/zinc/60/05/53/356600553.db2.gz QSCLTYZXPNLIHN-KXUCPTDWSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](Cc2cn[nH]c2)[C@@H](C)C(=O)N1C ZINC000639691043 356601389 /nfs/dbraw/zinc/60/13/89/356601389.db2.gz QSCLTYZXPNLIHN-UTLUCORTSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cn[nH]c2)[C@@H](C)C(=O)N1C ZINC000639691043 356601392 /nfs/dbraw/zinc/60/13/92/356601392.db2.gz QSCLTYZXPNLIHN-UTLUCORTSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1[C@@H](C)N(Cc2c[nH+]c[nH]2)[C@@H](C)C(=O)N1C ZINC000639691510 356605767 /nfs/dbraw/zinc/60/57/67/356605767.db2.gz UQMHXDVSGVMZDJ-BBBLOLIVSA-N 1 2 236.319 0.849 20 0 BCADLO Cc1nocc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731903 356624965 /nfs/dbraw/zinc/62/49/65/356624965.db2.gz MSJNHJYHKITTQJ-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000345956677 538464748 /nfs/dbraw/zinc/46/47/48/538464748.db2.gz LQLIOHFAUAWGTQ-JTQLQIEISA-N 1 2 239.319 0.723 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000345956677 538464750 /nfs/dbraw/zinc/46/47/50/538464750.db2.gz LQLIOHFAUAWGTQ-JTQLQIEISA-N 1 2 239.319 0.723 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@H]1COCCO1 ZINC000450294369 202122283 /nfs/dbraw/zinc/12/22/83/202122283.db2.gz NALPRZOKYDSEHX-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@H]1COCCO1 ZINC000450294369 202122286 /nfs/dbraw/zinc/12/22/86/202122286.db2.gz NALPRZOKYDSEHX-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC1(C)CO[C@@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000639747465 356642475 /nfs/dbraw/zinc/64/24/75/356642475.db2.gz BNVSJZQSQRXJDC-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CC1(C)CO[C@@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000639747465 356642477 /nfs/dbraw/zinc/64/24/77/356642477.db2.gz BNVSJZQSQRXJDC-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1COCCO1)C1CC1 ZINC000450342184 202133750 /nfs/dbraw/zinc/13/37/50/202133750.db2.gz QQKJAJGRQCKCNM-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1COCCO1)C1CC1 ZINC000450342184 202133753 /nfs/dbraw/zinc/13/37/53/202133753.db2.gz QQKJAJGRQCKCNM-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO C[NH+](C)Cc1nc(Cc2ccon2)no1 ZINC000350646162 366316188 /nfs/dbraw/zinc/31/61/88/366316188.db2.gz UWUJRYXEWPXGBS-UHFFFAOYSA-N 1 2 208.221 0.710 20 0 BCADLO CCC[C@H](O)CN1CC[NH+](CCOCC)CC1 ZINC000450360412 202143244 /nfs/dbraw/zinc/14/32/44/202143244.db2.gz BBQIVBGJFVJRFH-ZDUSSCGKSA-N 1 2 244.379 0.802 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1COCCO1 ZINC000450346715 202137646 /nfs/dbraw/zinc/13/76/46/202137646.db2.gz HPBCNEQQELAKKP-SECBINFHSA-N 1 2 231.292 0.333 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172344 363563770 /nfs/dbraw/zinc/56/37/70/363563770.db2.gz FEJCFZLDBHUUNL-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000054172344 363563777 /nfs/dbraw/zinc/56/37/77/363563777.db2.gz FEJCFZLDBHUUNL-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO COC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000054187594 363562885 /nfs/dbraw/zinc/56/28/85/363562885.db2.gz AMHDNQWCKUQKRM-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CO)C(C)(C)C ZINC000121491683 356718132 /nfs/dbraw/zinc/71/81/32/356718132.db2.gz UGDKZIYLXYGPRV-RKDXNWHRSA-N 1 2 217.309 0.792 20 0 BCADLO CCc1nc(C[N@H+](C)CC2(O)CCC2)no1 ZINC000353497694 356711910 /nfs/dbraw/zinc/71/19/10/356711910.db2.gz SLURTIJEZGLSIF-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@@H+](C)CC2(O)CCC2)no1 ZINC000353497694 356711913 /nfs/dbraw/zinc/71/19/13/356711913.db2.gz SLURTIJEZGLSIF-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO C[NH+](C)Cc1nc(C[C@H]2CCCO2)no1 ZINC000350531001 538665404 /nfs/dbraw/zinc/66/54/04/538665404.db2.gz CKAYCBHMPMMBDP-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn(C3CC3)nn2)CC1 ZINC000623344539 356747862 /nfs/dbraw/zinc/74/78/62/356747862.db2.gz RJUDKDHOFSVMFY-UHFFFAOYSA-N 1 2 235.291 0.001 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)CC2(C)C)n[nH]1 ZINC000355058948 356749395 /nfs/dbraw/zinc/74/93/95/356749395.db2.gz TXMSRAQLMRSOEQ-UHFFFAOYSA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)CC2(C)C)n[nH]1 ZINC000355058948 356749397 /nfs/dbraw/zinc/74/93/97/356749397.db2.gz TXMSRAQLMRSOEQ-UHFFFAOYSA-N 1 2 237.351 0.893 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000347525380 538618396 /nfs/dbraw/zinc/61/83/96/538618396.db2.gz SQXYCDPCGLDQKS-GFCCVEGCSA-N 1 2 235.287 0.468 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000347525380 538618406 /nfs/dbraw/zinc/61/84/06/538618406.db2.gz SQXYCDPCGLDQKS-GFCCVEGCSA-N 1 2 235.287 0.468 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)C(N)=O ZINC000225305065 538621591 /nfs/dbraw/zinc/62/15/91/538621591.db2.gz XPHNLTYXTVMCKN-SCSAIBSYSA-N 1 2 219.697 0.760 20 0 BCADLO NC(=O)c1cc(C[NH2+]Cc2ccco2)on1 ZINC000309496526 181289097 /nfs/dbraw/zinc/28/90/97/181289097.db2.gz KKAZLBLBMKZGJV-UHFFFAOYSA-N 1 2 221.216 0.656 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3cnn[nH]3)CC2)nn1 ZINC000639819236 356799492 /nfs/dbraw/zinc/79/94/92/356799492.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3cnn[nH]3)CC2)nn1 ZINC000639819236 356799493 /nfs/dbraw/zinc/79/94/93/356799493.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3c[nH]nn3)CC2)nn1 ZINC000639819236 356799495 /nfs/dbraw/zinc/79/94/95/356799495.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3c[nH]nn3)CC2)nn1 ZINC000639819236 356799496 /nfs/dbraw/zinc/79/94/96/356799496.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3cn[nH]n3)CC2)nn1 ZINC000639819236 356799498 /nfs/dbraw/zinc/79/94/98/356799498.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3cn[nH]n3)CC2)nn1 ZINC000639819236 356799499 /nfs/dbraw/zinc/79/94/99/356799499.db2.gz WYJMJEXAWJTQIN-NSHDSACASA-N 1 2 247.306 0.623 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)CC2 ZINC000639824472 356804188 /nfs/dbraw/zinc/80/41/88/356804188.db2.gz LARBUTFGASNPDF-GXFFZTMASA-N 1 2 249.314 0.979 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)CC2 ZINC000639824472 356804192 /nfs/dbraw/zinc/80/41/92/356804192.db2.gz LARBUTFGASNPDF-GXFFZTMASA-N 1 2 249.314 0.979 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000639833020 356817991 /nfs/dbraw/zinc/81/79/91/356817991.db2.gz FKWKYGHFZFWOFZ-NEPJUHHUSA-N 1 2 247.335 0.325 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000639833020 356817996 /nfs/dbraw/zinc/81/79/96/356817996.db2.gz FKWKYGHFZFWOFZ-NEPJUHHUSA-N 1 2 247.335 0.325 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@H](OC)C1 ZINC000639832489 356818231 /nfs/dbraw/zinc/81/82/31/356818231.db2.gz HSULCEXZNAIEKT-NSHDSACASA-N 1 2 225.292 0.708 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CC[C@H](C)O2)CCO1 ZINC000639836803 356823944 /nfs/dbraw/zinc/82/39/44/356823944.db2.gz JNQUKHPMIDFXSZ-AXFHLTTASA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C)O2)CCO1 ZINC000639836803 356823945 /nfs/dbraw/zinc/82/39/45/356823945.db2.gz JNQUKHPMIDFXSZ-AXFHLTTASA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@H]1C[N@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000639835200 356825362 /nfs/dbraw/zinc/82/53/62/356825362.db2.gz BMXMPLZGEMSGID-VXGBXAGGSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000639835200 356825364 /nfs/dbraw/zinc/82/53/64/356825364.db2.gz BMXMPLZGEMSGID-VXGBXAGGSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000639838368 356829203 /nfs/dbraw/zinc/82/92/03/356829203.db2.gz NQZXHGMRWDDUBD-NSHDSACASA-N 1 2 215.293 0.718 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000639838368 356829205 /nfs/dbraw/zinc/82/92/05/356829205.db2.gz NQZXHGMRWDDUBD-NSHDSACASA-N 1 2 215.293 0.718 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NC1CC1 ZINC000054345790 363569278 /nfs/dbraw/zinc/56/92/78/363569278.db2.gz YVSPFHQJEYEQHG-WDEREUQCSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NC1CC1 ZINC000054345790 363569283 /nfs/dbraw/zinc/56/92/83/363569283.db2.gz YVSPFHQJEYEQHG-WDEREUQCSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1c1ncccn1)N1CCC1 ZINC000639843633 356840002 /nfs/dbraw/zinc/84/00/02/356840002.db2.gz TVRNCMTVGUCLFK-LLVKDONJSA-N 1 2 246.314 0.846 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1c1ncccn1)N1CCC1 ZINC000639843633 356840004 /nfs/dbraw/zinc/84/00/04/356840004.db2.gz TVRNCMTVGUCLFK-LLVKDONJSA-N 1 2 246.314 0.846 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cc(=O)[nH]cn1 ZINC000623365836 356840854 /nfs/dbraw/zinc/84/08/54/356840854.db2.gz DPKJECVRYJAIGB-UHFFFAOYSA-N 1 2 247.258 0.199 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352051783 538712918 /nfs/dbraw/zinc/71/29/18/538712918.db2.gz FLLWOFCKMDFBFL-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352051783 538712920 /nfs/dbraw/zinc/71/29/20/538712920.db2.gz FLLWOFCKMDFBFL-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352051444 538713460 /nfs/dbraw/zinc/71/34/60/538713460.db2.gz BQYXVKYFUIURIR-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352051444 538713466 /nfs/dbraw/zinc/71/34/66/538713466.db2.gz BQYXVKYFUIURIR-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623367757 356852242 /nfs/dbraw/zinc/85/22/42/356852242.db2.gz RQNZINBMCKXFHX-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CCC[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623367757 356852246 /nfs/dbraw/zinc/85/22/46/356852246.db2.gz RQNZINBMCKXFHX-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)nc1 ZINC000639850427 356853237 /nfs/dbraw/zinc/85/32/37/356853237.db2.gz VMPPGVANYIABLL-PWSUYJOCSA-N 1 2 237.303 0.103 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)nc1 ZINC000639850427 356853239 /nfs/dbraw/zinc/85/32/39/356853239.db2.gz VMPPGVANYIABLL-PWSUYJOCSA-N 1 2 237.303 0.103 20 0 BCADLO CCc1nc(C(=O)NCc2c[nH+]cn2C)co1 ZINC000356754460 538747004 /nfs/dbraw/zinc/74/70/04/538747004.db2.gz MBYKSFHIEPTWDL-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)[C@H]1CCOC1 ZINC000361591591 356934913 /nfs/dbraw/zinc/93/49/13/356934913.db2.gz OQEZLLLQHWPCNZ-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)[C@H]1CCOC1 ZINC000361591591 356934917 /nfs/dbraw/zinc/93/49/17/356934917.db2.gz OQEZLLLQHWPCNZ-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000450554277 202195785 /nfs/dbraw/zinc/19/57/85/202195785.db2.gz LNJCKVIOPPKFOF-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000450554277 202195790 /nfs/dbraw/zinc/19/57/90/202195790.db2.gz LNJCKVIOPPKFOF-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO COCCCCN1CC[N@H+](C)C[C@H]1CO ZINC000639867165 356989520 /nfs/dbraw/zinc/98/95/20/356989520.db2.gz KTPIQQCJJCNRNR-NSHDSACASA-N 1 2 216.325 0.021 20 0 BCADLO COCCCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639867165 356989526 /nfs/dbraw/zinc/98/95/26/356989526.db2.gz KTPIQQCJJCNRNR-NSHDSACASA-N 1 2 216.325 0.021 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000626468495 357005801 /nfs/dbraw/zinc/00/58/01/357005801.db2.gz IHLLRQLZWFDVRJ-KYZUINATSA-N 1 2 248.286 0.197 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000354088766 538772658 /nfs/dbraw/zinc/77/26/58/538772658.db2.gz AIUFBXIZVHHWOY-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000354088766 538772665 /nfs/dbraw/zinc/77/26/65/538772665.db2.gz AIUFBXIZVHHWOY-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)no1 ZINC000582368883 357111117 /nfs/dbraw/zinc/11/11/17/357111117.db2.gz UMBGNPXQASHAQO-LBPRGKRZSA-N 1 2 235.287 0.838 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@]23CCNC3=O)no1 ZINC000582368883 357111120 /nfs/dbraw/zinc/11/11/20/357111120.db2.gz UMBGNPXQASHAQO-LBPRGKRZSA-N 1 2 235.287 0.838 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cn[nH]c1 ZINC000355247064 538791448 /nfs/dbraw/zinc/79/14/48/538791448.db2.gz IABKAXJWXBGAMQ-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000355247064 538791452 /nfs/dbraw/zinc/79/14/52/538791452.db2.gz IABKAXJWXBGAMQ-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CO1 ZINC000355289729 538792884 /nfs/dbraw/zinc/79/28/84/538792884.db2.gz KNCRIPZTOAVJRV-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1cnn(C)c1C[NH2+]Cc1cc[nH]n1 ZINC000389925610 357068493 /nfs/dbraw/zinc/06/84/93/357068493.db2.gz VYUHYUHJAVYORU-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO C[C@@H](C[NH2+][C@@H](C)c1ncc[nH]1)S(C)(=O)=O ZINC000389996878 357081456 /nfs/dbraw/zinc/08/14/56/357081456.db2.gz QUDBIOBNEZFCLW-YUMQZZPRSA-N 1 2 231.321 0.493 20 0 BCADLO Cc1nnc(CC[NH2+][C@H](C)c2nccn2C)[nH]1 ZINC000392334402 357149247 /nfs/dbraw/zinc/14/92/47/357149247.db2.gz FXHKDODTFIZIBH-MRVPVSSYSA-N 1 2 234.307 0.740 20 0 BCADLO COCC[NH+]1CCN(CC[C@H]2CCCO2)CC1 ZINC000188709090 357193784 /nfs/dbraw/zinc/19/37/84/357193784.db2.gz OSBZEESGQDTIMG-CYBMUJFWSA-N 1 2 242.363 0.820 20 0 BCADLO CC(C)c1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000628414834 357230793 /nfs/dbraw/zinc/23/07/93/357230793.db2.gz OTBXJHRUHGQUHU-IUCAKERBSA-N 1 2 242.344 0.804 20 0 BCADLO C[C@]1(NC(=O)CCCn2cc[nH+]c2)CCOC1 ZINC000157132139 538810119 /nfs/dbraw/zinc/81/01/19/538810119.db2.gz WQKKLLANPBWFSB-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000393749869 357295297 /nfs/dbraw/zinc/29/52/97/357295297.db2.gz UJOIBWOQGJLTGU-IUCAKERBSA-N 1 2 211.265 0.159 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCc1cccnc1 ZINC000357065333 538824352 /nfs/dbraw/zinc/82/43/52/538824352.db2.gz KKBMPGZXGCQOBY-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO Cn1cc(-c2noc(CCn3cc[nH+]c3)n2)nn1 ZINC000582726116 357373291 /nfs/dbraw/zinc/37/32/91/357373291.db2.gz NPLXLVYQKHDSLL-UHFFFAOYSA-N 1 2 245.246 0.304 20 0 BCADLO CCc1nc(C(=O)NCc2c[nH+]cn2C)no1 ZINC000357281805 538826875 /nfs/dbraw/zinc/82/68/75/538826875.db2.gz HIVBZIIQIMKVCA-UHFFFAOYSA-N 1 2 235.247 0.296 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H]3C[C@@]3(O)C2)c(C)c[nH+]1 ZINC000639903119 357324570 /nfs/dbraw/zinc/32/45/70/357324570.db2.gz VSOHLWHAJKDUNR-ZWNOBZJWSA-N 1 2 247.298 0.719 20 0 BCADLO COCc1nc(C)cc(NCc2c[nH+]cn2C)n1 ZINC000357580462 538829798 /nfs/dbraw/zinc/82/97/98/538829798.db2.gz KVHDAFBRVGLEBB-UHFFFAOYSA-N 1 2 247.302 0.699 20 0 BCADLO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582601642 357348165 /nfs/dbraw/zinc/34/81/65/357348165.db2.gz QPIZCINEIGSCCP-SNVBAGLBSA-N 1 2 241.291 0.204 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2ncccc2O)C1 ZINC000582675191 357361328 /nfs/dbraw/zinc/36/13/28/357361328.db2.gz ANADZWLKNAKSFJ-UHFFFAOYSA-N 1 2 249.314 0.745 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(=O)OC ZINC000168368174 134197720 /nfs/dbraw/zinc/19/77/20/134197720.db2.gz ZZMMAFMRCCNWJD-IUCAKERBSA-N 1 2 228.292 0.148 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000582764337 357384116 /nfs/dbraw/zinc/38/41/16/357384116.db2.gz DMWPMERVMZJRLC-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000582831404 357411114 /nfs/dbraw/zinc/41/11/14/357411114.db2.gz ZQGASAGQNOFWNL-UHFFFAOYSA-N 1 2 248.326 0.763 20 0 BCADLO CCOCC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582899745 357425372 /nfs/dbraw/zinc/42/53/72/357425372.db2.gz FMHZLSRUVBAXBH-JTQLQIEISA-N 1 2 213.281 0.287 20 0 BCADLO COCC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000582880583 357429584 /nfs/dbraw/zinc/42/95/84/357429584.db2.gz QLCBIYWGFNNAJK-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO COCC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000582880583 357429585 /nfs/dbraw/zinc/42/95/85/357429585.db2.gz QLCBIYWGFNNAJK-VIFPVBQESA-N 1 2 240.307 0.011 20 0 BCADLO COc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nc1 ZINC000582916413 357436191 /nfs/dbraw/zinc/43/61/91/357436191.db2.gz YWGSVOGZNTVPCZ-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO CCc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)o1 ZINC000583003394 357455041 /nfs/dbraw/zinc/45/50/41/357455041.db2.gz UKXLAZQTFJUGIP-KWQFWETISA-N 1 2 237.303 0.851 20 0 BCADLO CCCCOC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000583078988 357473609 /nfs/dbraw/zinc/47/36/09/357473609.db2.gz CRXVHMRXUAPNNA-NSHDSACASA-N 1 2 227.308 0.677 20 0 BCADLO O=S1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000188639109 357569809 /nfs/dbraw/zinc/56/98/09/357569809.db2.gz QQNDNOOUHACHJF-LBPRGKRZSA-N 1 2 245.388 0.992 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCO1 ZINC000188798654 357574534 /nfs/dbraw/zinc/57/45/34/357574534.db2.gz WELBQWFHPVDOJQ-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000188798654 357574536 /nfs/dbraw/zinc/57/45/36/357574536.db2.gz WELBQWFHPVDOJQ-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000231731716 357623334 /nfs/dbraw/zinc/62/33/34/357623334.db2.gz QRKSAIWUPOLTKD-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000231731716 357623338 /nfs/dbraw/zinc/62/33/38/357623338.db2.gz QRKSAIWUPOLTKD-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599014 325205652 /nfs/dbraw/zinc/20/56/52/325205652.db2.gz KCVHXYRNZQGLEF-QWRGUYRKSA-N 1 2 227.352 0.537 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@]1(OC)CCOC1)C1CC1 ZINC000231204198 357599009 /nfs/dbraw/zinc/59/90/09/357599009.db2.gz WBTVWDJKVJLNPA-CMPLNLGQSA-N 1 2 243.303 0.333 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000189034797 357600407 /nfs/dbraw/zinc/60/04/07/357600407.db2.gz SJEZXFFOSQCAGR-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000189034797 357600409 /nfs/dbraw/zinc/60/04/09/357600409.db2.gz SJEZXFFOSQCAGR-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000189034821 357600520 /nfs/dbraw/zinc/60/05/20/357600520.db2.gz SJEZXFFOSQCAGR-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000189034821 357600526 /nfs/dbraw/zinc/60/05/26/357600526.db2.gz SJEZXFFOSQCAGR-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000189116056 357616465 /nfs/dbraw/zinc/61/64/65/357616465.db2.gz YUBYNFIVOUTGOG-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCOCC(F)F ZINC000189116056 357616470 /nfs/dbraw/zinc/61/64/70/357616470.db2.gz YUBYNFIVOUTGOG-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCC(=O)CC[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000190228861 357697090 /nfs/dbraw/zinc/69/70/90/357697090.db2.gz IHOLTLCEKOTOJE-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000190228861 357697094 /nfs/dbraw/zinc/69/70/94/357697094.db2.gz IHOLTLCEKOTOJE-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191061584 357746437 /nfs/dbraw/zinc/74/64/37/357746437.db2.gz LGZCBQFDIQARLU-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191061584 357746439 /nfs/dbraw/zinc/74/64/39/357746439.db2.gz LGZCBQFDIQARLU-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000233985513 357764996 /nfs/dbraw/zinc/76/49/96/357764996.db2.gz CAWGHLMEDUREKO-LLVKDONJSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000191385419 357766865 /nfs/dbraw/zinc/76/68/65/357766865.db2.gz OVOVSDRKLZCXFD-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000191385419 357766868 /nfs/dbraw/zinc/76/68/68/357766868.db2.gz OVOVSDRKLZCXFD-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO CCCC[C@@H](COC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191961949 357807251 /nfs/dbraw/zinc/80/72/51/357807251.db2.gz FJOIGJRWZGMTAY-OUAUKWLOSA-N 1 2 247.335 0.704 20 0 BCADLO CCN1CN(CCCn2cc[nH+]c2)CC1=O ZINC000191580784 357786481 /nfs/dbraw/zinc/78/64/81/357786481.db2.gz BPBJKZRSKZURNH-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C12CCC2 ZINC000398103428 357838034 /nfs/dbraw/zinc/83/80/34/357838034.db2.gz IYFINNUWPWPYMD-IUCAKERBSA-N 1 2 237.307 0.257 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229572297 491115770 /nfs/dbraw/zinc/11/57/70/491115770.db2.gz MPQNUWNWKUDNHS-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229572297 491115771 /nfs/dbraw/zinc/11/57/71/491115771.db2.gz MPQNUWNWKUDNHS-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO NC(=O)c1ccc(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000358362117 181293036 /nfs/dbraw/zinc/29/30/36/181293036.db2.gz XBBHOPMNEIVPFG-UHFFFAOYSA-N 1 2 247.210 0.153 20 0 BCADLO CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000583296786 357867966 /nfs/dbraw/zinc/86/79/66/357867966.db2.gz WLEODAINNCGYAG-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCCOC ZINC000193318620 357875925 /nfs/dbraw/zinc/87/59/25/357875925.db2.gz XDJALULCLZPMFK-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCCOC ZINC000193318620 357875931 /nfs/dbraw/zinc/87/59/31/357875931.db2.gz XDJALULCLZPMFK-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000193358260 357879171 /nfs/dbraw/zinc/87/91/71/357879171.db2.gz POJJRYOSTCQVMM-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000193358260 357879174 /nfs/dbraw/zinc/87/91/74/357879174.db2.gz POJJRYOSTCQVMM-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814300 357919785 /nfs/dbraw/zinc/91/97/85/357919785.db2.gz YHMMSVQZXQDNRM-SNVBAGLBSA-N 1 2 235.287 0.801 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814300 357919788 /nfs/dbraw/zinc/91/97/88/357919788.db2.gz YHMMSVQZXQDNRM-SNVBAGLBSA-N 1 2 235.287 0.801 20 0 BCADLO COC(=O)[C@H](NCc1[nH+]ccn1C)C(C)C ZINC000035085087 357963319 /nfs/dbraw/zinc/96/33/19/357963319.db2.gz XIBVTVAFWOSMKP-SNVBAGLBSA-N 1 2 225.292 0.707 20 0 BCADLO CCCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000583764129 357938611 /nfs/dbraw/zinc/93/86/11/357938611.db2.gz YGEUJVZBTAFBDK-UHFFFAOYSA-N 1 2 217.294 0.581 20 0 BCADLO CCCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000583764129 357938613 /nfs/dbraw/zinc/93/86/13/357938613.db2.gz YGEUJVZBTAFBDK-UHFFFAOYSA-N 1 2 217.294 0.581 20 0 BCADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCO)CCO1 ZINC000610504604 357958278 /nfs/dbraw/zinc/95/82/78/357958278.db2.gz QZCXKOQSZNSHOI-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCO)CCO1 ZINC000610504604 357958280 /nfs/dbraw/zinc/95/82/80/357958280.db2.gz QZCXKOQSZNSHOI-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCc1noc(C[NH2+][C@@](C)(CO)COC)n1 ZINC000639948551 357971959 /nfs/dbraw/zinc/97/19/59/357971959.db2.gz GIDSLQHCGFTMGI-NSHDSACASA-N 1 2 243.307 0.509 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nc(C2CC2)no1 ZINC000639953150 357974839 /nfs/dbraw/zinc/97/48/39/357974839.db2.gz VGLUPLKRKHOGQV-NSHDSACASA-N 1 2 241.291 0.434 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000639958821 357984076 /nfs/dbraw/zinc/98/40/76/357984076.db2.gz WEXPXIIJZCREOZ-NSHDSACASA-N 1 2 242.323 0.415 20 0 BCADLO CCOC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628452531 358009185 /nfs/dbraw/zinc/00/91/85/358009185.db2.gz IUWPMAIIWCJVOR-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO Cc1ncc([C@@H](C)[NH2+]Cc2nnnn2C)s1 ZINC000639994405 358034351 /nfs/dbraw/zinc/03/43/51/358034351.db2.gz JHNQVULWMICNCK-ZCFIWIBFSA-N 1 2 238.320 0.826 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC[C@@H]1CCNC1=O ZINC000639970659 358022614 /nfs/dbraw/zinc/02/26/14/358022614.db2.gz HZQXQGFXXXFVPM-JTQLQIEISA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H]1CCNC1=O ZINC000639970659 358022617 /nfs/dbraw/zinc/02/26/17/358022617.db2.gz HZQXQGFXXXFVPM-JTQLQIEISA-N 1 2 236.319 0.676 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000639970688 358024458 /nfs/dbraw/zinc/02/44/58/358024458.db2.gz IUOUMPRLOIDLPM-MRVPVSSYSA-N 1 2 245.348 0.583 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000639970688 358024463 /nfs/dbraw/zinc/02/44/63/358024463.db2.gz IUOUMPRLOIDLPM-MRVPVSSYSA-N 1 2 245.348 0.583 20 0 BCADLO CCN1CC[C@H]([N@H+](C)Cc2c[nH]nc2C)C1=O ZINC000639971575 358030243 /nfs/dbraw/zinc/03/02/43/358030243.db2.gz GLGDHKGNUKLZFX-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)Cc2c[nH]nc2C)C1=O ZINC000639971575 358030244 /nfs/dbraw/zinc/03/02/44/358030244.db2.gz GLGDHKGNUKLZFX-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639971668 358031557 /nfs/dbraw/zinc/03/15/57/358031557.db2.gz UIKPJKFQQABFAO-GFCCVEGCSA-N 1 2 241.335 0.937 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639971668 358031561 /nfs/dbraw/zinc/03/15/61/358031561.db2.gz UIKPJKFQQABFAO-GFCCVEGCSA-N 1 2 241.335 0.937 20 0 BCADLO Cn1c(CO)cnc1SCCn1cc[nH+]c1 ZINC000085217470 134246827 /nfs/dbraw/zinc/24/68/27/134246827.db2.gz LORRFNWVOVURID-UHFFFAOYSA-N 1 2 238.316 0.901 20 0 BCADLO CO[C@H]1C[N@H+](CC(F)F)[C@@](C)(CO)C1 ZINC000640004550 358054948 /nfs/dbraw/zinc/05/49/48/358054948.db2.gz SHFUXPBORXFJLR-VXNVDRBHSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H]1C[N@@H+](CC(F)F)[C@@](C)(CO)C1 ZINC000640004550 358054950 /nfs/dbraw/zinc/05/49/50/358054950.db2.gz SHFUXPBORXFJLR-VXNVDRBHSA-N 1 2 209.236 0.723 20 0 BCADLO CO[C@H]1C[N@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC000640006137 358061212 /nfs/dbraw/zinc/06/12/12/358061212.db2.gz ULZIUJYMKHKKQW-NXEZZACHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC000640006137 358061216 /nfs/dbraw/zinc/06/12/16/358061216.db2.gz ULZIUJYMKHKKQW-NXEZZACHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC000640006138 358061254 /nfs/dbraw/zinc/06/12/54/358061254.db2.gz ULZIUJYMKHKKQW-UWVGGRQHSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC000640006138 358061255 /nfs/dbraw/zinc/06/12/55/358061255.db2.gz ULZIUJYMKHKKQW-UWVGGRQHSA-N 1 2 243.332 0.510 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(-c2ncccn2)no1 ZINC000350401561 358063241 /nfs/dbraw/zinc/06/32/41/358063241.db2.gz SUPDIYSOFRKIEO-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2noc(C)n2)[C@](C)(CO)C1 ZINC000640009837 358075791 /nfs/dbraw/zinc/07/57/91/358075791.db2.gz PZHBIJBFWITSKV-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2noc(C)n2)[C@](C)(CO)C1 ZINC000640009837 358075792 /nfs/dbraw/zinc/07/57/92/358075792.db2.gz PZHBIJBFWITSKV-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000037688749 358091795 /nfs/dbraw/zinc/09/17/95/358091795.db2.gz HWUHJOSEFWGKRY-BDAKNGLRSA-N 1 2 203.282 0.545 20 0 BCADLO CCCCNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133916103 325329619 /nfs/dbraw/zinc/32/96/19/325329619.db2.gz BQEMTEGUVUYXRC-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133916103 325329622 /nfs/dbraw/zinc/32/96/22/325329622.db2.gz BQEMTEGUVUYXRC-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C[C@H](C)O ZINC000051838040 358085822 /nfs/dbraw/zinc/08/58/22/358085822.db2.gz UVUJTFIMVAQMLJ-VIFPVBQESA-N 1 2 227.312 0.286 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C[C@H](C)O ZINC000051838040 358085825 /nfs/dbraw/zinc/08/58/25/358085825.db2.gz UVUJTFIMVAQMLJ-VIFPVBQESA-N 1 2 227.312 0.286 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)C)C(C)C ZINC000037897911 358097549 /nfs/dbraw/zinc/09/75/49/358097549.db2.gz GLRFIGRWOGCESU-SNVBAGLBSA-N 1 2 230.308 0.252 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)C)C(C)C ZINC000037897910 358097552 /nfs/dbraw/zinc/09/75/52/358097552.db2.gz GLRFIGRWOGCESU-JTQLQIEISA-N 1 2 230.308 0.252 20 0 BCADLO CC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000170491024 134254663 /nfs/dbraw/zinc/25/46/63/134254663.db2.gz CHRAOZVIUCFJRH-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO CC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[C@@H](C)O ZINC000584664385 358123337 /nfs/dbraw/zinc/12/33/37/358123337.db2.gz DPMPNXRJSQLAGZ-IWSPIJDZSA-N 1 2 225.292 0.994 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000640035246 358125211 /nfs/dbraw/zinc/12/52/11/358125211.db2.gz JBTDVZOICVNVEJ-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000640035246 358125212 /nfs/dbraw/zinc/12/52/12/358125212.db2.gz JBTDVZOICVNVEJ-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO C[C@H](NC(=O)NC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000170918645 134255325 /nfs/dbraw/zinc/25/53/25/134255325.db2.gz GCFAAJFHLSYFLL-UWVGGRQHSA-N 1 2 241.335 0.557 20 0 BCADLO COCCOCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000610736478 358130339 /nfs/dbraw/zinc/13/03/39/358130339.db2.gz BKOHIYJQZGPLSG-JTQLQIEISA-N 1 2 247.335 0.827 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](C)CCNC(C)=O ZINC000584778843 358175440 /nfs/dbraw/zinc/17/54/40/358175440.db2.gz ZGOLLVCUJVFCBR-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](C)CCNC(C)=O ZINC000584778843 358175444 /nfs/dbraw/zinc/17/54/44/358175444.db2.gz ZGOLLVCUJVFCBR-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CC[C@H](C[C@@H](C)CO)NC(=O)Cn1cc[nH+]c1 ZINC000584813740 358184210 /nfs/dbraw/zinc/18/42/10/358184210.db2.gz GWHCHKHPLIXHAK-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623423817 358218064 /nfs/dbraw/zinc/21/80/64/358218064.db2.gz SSWDGQYFRGLBNR-VWYCJHECSA-N 1 2 241.335 0.272 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623423817 358218067 /nfs/dbraw/zinc/21/80/67/358218067.db2.gz SSWDGQYFRGLBNR-VWYCJHECSA-N 1 2 241.335 0.272 20 0 BCADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CC=C(C)C ZINC000640120900 358199203 /nfs/dbraw/zinc/19/92/03/358199203.db2.gz IAVDKHARYVJYNP-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CNC(=O)NC[C@H]1COCC[N@H+]1CC=C(C)C ZINC000640120900 358199208 /nfs/dbraw/zinc/19/92/08/358199208.db2.gz IAVDKHARYVJYNP-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC12CC2 ZINC000584842894 358200615 /nfs/dbraw/zinc/20/06/15/358200615.db2.gz DBHNXQVFYWSKAT-SECBINFHSA-N 1 2 205.261 0.799 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCN1CCOCC1 ZINC000171858862 134261451 /nfs/dbraw/zinc/26/14/51/134261451.db2.gz WYOKYHSQSQRVCL-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@H](C(=O)OC)N(C)CC[NH+]1CCOCC1 ZINC000171858862 134261452 /nfs/dbraw/zinc/26/14/52/134261452.db2.gz WYOKYHSQSQRVCL-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc[nH]n1 ZINC000584851820 358209483 /nfs/dbraw/zinc/20/94/83/358209483.db2.gz ZKUXFERKSBUOTE-MRVPVSSYSA-N 1 2 233.275 0.628 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc[nH]n1 ZINC000584851820 358209485 /nfs/dbraw/zinc/20/94/85/358209485.db2.gz ZKUXFERKSBUOTE-MRVPVSSYSA-N 1 2 233.275 0.628 20 0 BCADLO CC[N@H+](Cc1nc(C2CC2)nn1C)[C@@H](C)CO ZINC000564906387 491125443 /nfs/dbraw/zinc/12/54/43/491125443.db2.gz YGBCFJWADLQDDO-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO CC[N@@H+](Cc1nc(C2CC2)nn1C)[C@@H](C)CO ZINC000564906387 491125444 /nfs/dbraw/zinc/12/54/44/491125444.db2.gz YGBCFJWADLQDDO-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239812 /nfs/dbraw/zinc/23/98/12/202239812.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239815 /nfs/dbraw/zinc/23/98/15/202239815.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)n[nH]1 ZINC000104412060 358227406 /nfs/dbraw/zinc/22/74/06/358227406.db2.gz RCTMREUHYHBSGW-UHFFFAOYSA-N 1 2 234.263 0.729 20 0 BCADLO Cc1nnc(NC(=O)CCCn2cc[nH+]c2)[nH]1 ZINC000104412060 358227409 /nfs/dbraw/zinc/22/74/09/358227409.db2.gz RCTMREUHYHBSGW-UHFFFAOYSA-N 1 2 234.263 0.729 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238266 /nfs/dbraw/zinc/23/82/66/202238266.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238270 /nfs/dbraw/zinc/23/82/70/202238270.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238274 /nfs/dbraw/zinc/23/82/74/202238274.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238276 /nfs/dbraw/zinc/23/82/76/202238276.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238279 /nfs/dbraw/zinc/23/82/79/202238279.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@@H]1CCCC[C@H]1O ZINC000450701632 202238282 /nfs/dbraw/zinc/23/82/82/202238282.db2.gz WYZAIUGMLZRSPM-GXSJLCMTSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239798 /nfs/dbraw/zinc/23/97/98/202239798.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239802 /nfs/dbraw/zinc/23/98/02/202239802.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239806 /nfs/dbraw/zinc/23/98/06/202239806.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@H]1CCCC[C@@H]1O ZINC000450701633 202239808 /nfs/dbraw/zinc/23/98/08/202239808.db2.gz WYZAIUGMLZRSPM-KOLCDFICSA-N 1 2 224.308 0.788 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450725057 202245797 /nfs/dbraw/zinc/24/57/97/202245797.db2.gz PRQPLMFNVMHFNP-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(N)=O ZINC000172613507 134268582 /nfs/dbraw/zinc/26/85/82/134268582.db2.gz UWDXVUNXYZDPQB-YUMQZZPRSA-N 1 2 233.275 0.254 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC1CC1 ZINC000134834962 325378417 /nfs/dbraw/zinc/37/84/17/325378417.db2.gz ZKLIFUFOQDKPAU-UHFFFAOYSA-N 1 2 208.265 0.914 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC1CC1 ZINC000134834962 325378420 /nfs/dbraw/zinc/37/84/20/325378420.db2.gz ZKLIFUFOQDKPAU-UHFFFAOYSA-N 1 2 208.265 0.914 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)C[S@](C)=O ZINC000229092232 358344861 /nfs/dbraw/zinc/34/48/61/358344861.db2.gz IZRIPUGIBSEPCB-KXHHVGMCSA-N 1 2 244.320 0.246 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)C[S@@](C)=O ZINC000229092196 358345228 /nfs/dbraw/zinc/34/52/28/358345228.db2.gz IZRIPUGIBSEPCB-XABCROFNSA-N 1 2 244.320 0.246 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000227428353 358356747 /nfs/dbraw/zinc/35/67/47/358356747.db2.gz ITSWQFVGWVPXSX-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000174036528 134278706 /nfs/dbraw/zinc/27/87/06/134278706.db2.gz UBBFIEDTMFIUGT-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1ccnn1C)C(C)C ZINC000230752647 358411005 /nfs/dbraw/zinc/41/10/05/358411005.db2.gz OPCRRTMFWXIUTM-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(=O)N(C)C ZINC000042270110 358520533 /nfs/dbraw/zinc/52/05/33/358520533.db2.gz CFILYTNAVWNOAU-SSDOTTSWSA-N 1 2 248.290 0.252 20 0 BCADLO COC(=O)C1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000610966707 358414247 /nfs/dbraw/zinc/41/42/47/358414247.db2.gz IMSKXJNJEFPGIZ-UHFFFAOYSA-N 1 2 237.259 0.095 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174754426 134283393 /nfs/dbraw/zinc/28/33/93/134283393.db2.gz QZBHBCQJHLYBOH-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO COC[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000130031388 358605363 /nfs/dbraw/zinc/60/53/63/358605363.db2.gz FSUPHIRIXFWBSZ-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO C[N@H+](CCO)Cc1nc(-c2ccco2)no1 ZINC000047953345 358608378 /nfs/dbraw/zinc/60/83/78/358608378.db2.gz AIRZLVOYCWCAJZ-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO C[N@@H+](CCO)Cc1nc(-c2ccco2)no1 ZINC000047953345 358608381 /nfs/dbraw/zinc/60/83/81/358608381.db2.gz AIRZLVOYCWCAJZ-UHFFFAOYSA-N 1 2 223.232 0.754 20 0 BCADLO CCOC(=O)CCC[N@H+](C)[C@H](C)C(=O)OC ZINC000212645980 358609798 /nfs/dbraw/zinc/60/97/98/358609798.db2.gz LMVOXFUFMZRGRA-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000212645980 358609802 /nfs/dbraw/zinc/60/98/02/358609802.db2.gz LMVOXFUFMZRGRA-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO O=C(NCC(F)F)N1CCn2c[nH+]cc2C1 ZINC000640194625 358613065 /nfs/dbraw/zinc/61/30/65/358613065.db2.gz HXZJWDRNSLTICL-UHFFFAOYSA-N 1 2 230.218 0.673 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000547804721 325400945 /nfs/dbraw/zinc/40/09/45/325400945.db2.gz MBLXRTDTGUCMIV-GFCCVEGCSA-N 1 2 239.319 0.630 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnns1 ZINC000048623928 358645700 /nfs/dbraw/zinc/64/57/00/358645700.db2.gz DDTQGGMNGOUKIW-UHFFFAOYSA-N 1 2 223.261 0.165 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000131127217 358661634 /nfs/dbraw/zinc/66/16/34/358661634.db2.gz MRQAMLOFHJAMNV-QMMMGPOBSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000131127217 358661638 /nfs/dbraw/zinc/66/16/38/358661638.db2.gz MRQAMLOFHJAMNV-QMMMGPOBSA-N 1 2 224.308 0.505 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CO)n1C1CC1 ZINC000132044181 358705551 /nfs/dbraw/zinc/70/55/51/358705551.db2.gz OGDHZOPFFFTVSX-QMMMGPOBSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](C)CO)n1C1CC1 ZINC000132044181 358705553 /nfs/dbraw/zinc/70/55/53/358705553.db2.gz OGDHZOPFFFTVSX-QMMMGPOBSA-N 1 2 224.308 0.734 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cncc(F)c1 ZINC000133269377 358749719 /nfs/dbraw/zinc/74/97/19/358749719.db2.gz JLJWZRGBSRRWRC-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cncc(F)c1 ZINC000133269377 358749721 /nfs/dbraw/zinc/74/97/21/358749721.db2.gz JLJWZRGBSRRWRC-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO CC(C)Cc1noc(C[NH+](CCO)CCO)n1 ZINC000050103272 358714868 /nfs/dbraw/zinc/71/48/68/358714868.db2.gz KTDPLNNNKHNDSJ-UHFFFAOYSA-N 1 2 243.307 0.055 20 0 BCADLO OCC[NH+](CCO)Cc1nccn1C(F)F ZINC000050103261 358714950 /nfs/dbraw/zinc/71/49/50/358714950.db2.gz AFZMGPXSKQYYMW-UHFFFAOYSA-N 1 2 235.234 0.065 20 0 BCADLO OCCOCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000132581155 358728220 /nfs/dbraw/zinc/72/82/20/358728220.db2.gz BCKIGJWXRUINNE-LLVKDONJSA-N 1 2 239.319 0.598 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCOC)C1CCOCC1 ZINC000053257442 358820102 /nfs/dbraw/zinc/82/01/02/358820102.db2.gz ZQRUYPSKMFEZCE-NSHDSACASA-N 1 2 245.319 0.581 20 0 BCADLO Cc1noc(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134497979 358791664 /nfs/dbraw/zinc/79/16/64/358791664.db2.gz PERISFNPNOGRTF-UHFFFAOYSA-N 1 2 234.259 0.987 20 0 BCADLO O=C(NCC(F)(F)F)N1CCn2cc[nH+]c2C1 ZINC000134902731 358809928 /nfs/dbraw/zinc/80/99/28/358809928.db2.gz COZPGQRPYSQMCN-UHFFFAOYSA-N 1 2 248.208 0.971 20 0 BCADLO COCC[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000054355081 358859788 /nfs/dbraw/zinc/85/97/88/358859788.db2.gz OLHDBXWBJLFSMQ-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO COCC[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000054355081 358859791 /nfs/dbraw/zinc/85/97/91/358859791.db2.gz OLHDBXWBJLFSMQ-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135546579 358844443 /nfs/dbraw/zinc/84/44/43/358844443.db2.gz ARUWZIQKNHCBQH-IUCAKERBSA-N 1 2 231.317 0.366 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135546579 358844444 /nfs/dbraw/zinc/84/44/44/358844444.db2.gz ARUWZIQKNHCBQH-IUCAKERBSA-N 1 2 231.317 0.366 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000564087967 358857301 /nfs/dbraw/zinc/85/73/01/358857301.db2.gz WLQNYDSLIKCCEB-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC000180540434 366500087 /nfs/dbraw/zinc/50/00/87/366500087.db2.gz DCVBTNBUHWECBA-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccn1C ZINC000578337656 366528251 /nfs/dbraw/zinc/52/82/51/366528251.db2.gz NBQDJVDPXTXPGN-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nccn1C ZINC000578337656 366528253 /nfs/dbraw/zinc/52/82/53/366528253.db2.gz NBQDJVDPXTXPGN-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO CC(C)OCC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069863682 359035202 /nfs/dbraw/zinc/03/52/02/359035202.db2.gz LZEWCPBRMAKYEC-SNVBAGLBSA-N 1 2 237.365 0.776 20 0 BCADLO CC(C)OCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069863682 359035207 /nfs/dbraw/zinc/03/52/07/359035207.db2.gz LZEWCPBRMAKYEC-SNVBAGLBSA-N 1 2 237.365 0.776 20 0 BCADLO Cc1cc(C)n(CC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000070979470 359068816 /nfs/dbraw/zinc/06/88/16/359068816.db2.gz XPJATZHUSIKRLA-UHFFFAOYSA-N 1 2 247.302 0.882 20 0 BCADLO CCN(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000071933722 359082931 /nfs/dbraw/zinc/08/29/31/359082931.db2.gz UICBBLYCXOOPLV-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000073167333 359097850 /nfs/dbraw/zinc/09/78/50/359097850.db2.gz WGVMOCMAEVCGEE-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000073167333 359097854 /nfs/dbraw/zinc/09/78/54/359097854.db2.gz WGVMOCMAEVCGEE-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CCCO1 ZINC000611208799 359112284 /nfs/dbraw/zinc/11/22/84/359112284.db2.gz SBTFXCJSQOQQNW-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCO1 ZINC000611208799 359112285 /nfs/dbraw/zinc/11/22/85/359112285.db2.gz SBTFXCJSQOQQNW-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](C[N@@H+]1CCO[C@H](C)C1)CS(C)(=O)=O ZINC000246481237 359115805 /nfs/dbraw/zinc/11/58/05/359115805.db2.gz HNAQXXZICOVYJI-VHSXEESVSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@@H](C[N@H+]1CCO[C@H](C)C1)CS(C)(=O)=O ZINC000246481237 359115812 /nfs/dbraw/zinc/11/58/12/359115812.db2.gz HNAQXXZICOVYJI-VHSXEESVSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@@H](C[N@@H+]1CCO[C@@H](C)C1)CS(C)(=O)=O ZINC000246481232 359116464 /nfs/dbraw/zinc/11/64/64/359116464.db2.gz HNAQXXZICOVYJI-UWVGGRQHSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@@H](C[N@H+]1CCO[C@@H](C)C1)CS(C)(=O)=O ZINC000246481232 359116467 /nfs/dbraw/zinc/11/64/67/359116467.db2.gz HNAQXXZICOVYJI-UWVGGRQHSA-N 1 2 235.349 0.388 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000247007110 359182946 /nfs/dbraw/zinc/18/29/46/359182946.db2.gz MGATXTPRSQQVIP-ZYHUDNBSSA-N 1 2 248.330 0.820 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000247007110 359182949 /nfs/dbraw/zinc/18/29/49/359182949.db2.gz MGATXTPRSQQVIP-ZYHUDNBSSA-N 1 2 248.330 0.820 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000246695104 359157952 /nfs/dbraw/zinc/15/79/52/359157952.db2.gz DWYPBNMDPXUDEZ-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000246695104 359157957 /nfs/dbraw/zinc/15/79/57/359157957.db2.gz DWYPBNMDPXUDEZ-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO CCOC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246730383 359160205 /nfs/dbraw/zinc/16/02/05/359160205.db2.gz GEKALKJURVOJGI-ZJUUUORDSA-N 1 2 245.344 0.756 20 0 BCADLO CCOC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246730383 359160208 /nfs/dbraw/zinc/16/02/08/359160208.db2.gz GEKALKJURVOJGI-ZJUUUORDSA-N 1 2 245.344 0.756 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246851060 359170429 /nfs/dbraw/zinc/17/04/29/359170429.db2.gz FIAKULHCFWVBJS-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246851060 359170434 /nfs/dbraw/zinc/17/04/34/359170434.db2.gz FIAKULHCFWVBJS-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1c[nH]c(=O)n1C ZINC000633271307 359239192 /nfs/dbraw/zinc/23/91/92/359239192.db2.gz KSONLTZNLAMBRY-UHFFFAOYSA-N 1 2 249.274 0.272 20 0 BCADLO Nc1cccnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304103 359357297 /nfs/dbraw/zinc/35/72/97/359357297.db2.gz ATORGXFQBVZHQA-MRVPVSSYSA-N 1 2 243.270 0.215 20 0 BCADLO CO[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000613815233 363648412 /nfs/dbraw/zinc/64/84/12/363648412.db2.gz UIQCLNQVZXKASF-LLVKDONJSA-N 1 2 239.275 0.092 20 0 BCADLO CCn1ccc(C[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000567345356 359339171 /nfs/dbraw/zinc/33/91/71/359339171.db2.gz DZMWDKPOQLWHCF-QMMMGPOBSA-N 1 2 237.225 0.916 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@@H](C)CO)no1 ZINC000308897264 491139961 /nfs/dbraw/zinc/13/99/61/491139961.db2.gz ZXROOAINKPUDLV-SSDOTTSWSA-N 1 2 213.281 0.831 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2nccs2)C1=O ZINC000308917047 491140239 /nfs/dbraw/zinc/14/02/39/491140239.db2.gz GEHWPIRBBOEJSH-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501962 359384397 /nfs/dbraw/zinc/38/43/97/359384397.db2.gz LEPHFHKVYHEUBE-CIUDSAMLSA-N 1 2 245.298 0.510 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501962 359384402 /nfs/dbraw/zinc/38/44/02/359384402.db2.gz LEPHFHKVYHEUBE-CIUDSAMLSA-N 1 2 245.298 0.510 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)C2CCCCC2)CCN1 ZINC000191226126 359541713 /nfs/dbraw/zinc/54/17/13/359541713.db2.gz JNYPTJOKXVQFFY-LLVKDONJSA-N 1 2 226.320 0.359 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)C2CCCCC2)CCN1 ZINC000191226126 359541715 /nfs/dbraw/zinc/54/17/15/359541715.db2.gz JNYPTJOKXVQFFY-LLVKDONJSA-N 1 2 226.320 0.359 20 0 BCADLO COC[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000308958315 491141029 /nfs/dbraw/zinc/14/10/29/491141029.db2.gz RDNZFQFENOFLML-CBAPKCEASA-N 1 2 213.281 0.376 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)N(C)C ZINC000308980559 491141779 /nfs/dbraw/zinc/14/17/79/491141779.db2.gz HYDXFINZWIJIRL-YUMQZZPRSA-N 1 2 210.281 0.537 20 0 BCADLO C[NH+](C)C1(C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000612017521 359602188 /nfs/dbraw/zinc/60/21/88/359602188.db2.gz WNTJTRASLAXATG-UHFFFAOYSA-N 1 2 245.286 0.991 20 0 BCADLO Cc1c(NC(=O)N(C)Cc2[nH]cc[nH+]2)nnn1C ZINC000640276248 359634663 /nfs/dbraw/zinc/63/46/63/359634663.db2.gz QOQCVNUBQVRRGJ-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BCADLO COC[C@]1(C)CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628497922 359704065 /nfs/dbraw/zinc/70/40/65/359704065.db2.gz AFKOWDHOZJYOAN-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO CC(C)CN1CC[N@H+](CC[C@H](C)O)CC1=O ZINC000450792223 202268175 /nfs/dbraw/zinc/26/81/75/202268175.db2.gz NTRNDSAPQCWCMK-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](CC[C@H](C)O)CC1=O ZINC000450792223 202268178 /nfs/dbraw/zinc/26/81/78/202268178.db2.gz NTRNDSAPQCWCMK-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CN(C)C(=O)N2)c(C)[nH+]1 ZINC000612226148 359740798 /nfs/dbraw/zinc/74/07/98/359740798.db2.gz HVUFLLVXDVKQDW-JTQLQIEISA-N 1 2 248.286 0.661 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450897026 202304433 /nfs/dbraw/zinc/30/44/33/202304433.db2.gz PRLPDESCBYXKMN-RKDXNWHRSA-N 1 2 241.291 0.726 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450897026 202304435 /nfs/dbraw/zinc/30/44/35/202304435.db2.gz PRLPDESCBYXKMN-RKDXNWHRSA-N 1 2 241.291 0.726 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C1CC1 ZINC000612351306 359804246 /nfs/dbraw/zinc/80/42/46/359804246.db2.gz UJAIZCKCKKGYIU-FOGDFJRCSA-N 1 2 249.314 0.411 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612352016 359806372 /nfs/dbraw/zinc/80/63/72/359806372.db2.gz YAFVFJSSOHANCG-JOYOIKCWSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612352016 359806378 /nfs/dbraw/zinc/80/63/78/359806378.db2.gz YAFVFJSSOHANCG-JOYOIKCWSA-N 1 2 249.314 0.402 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)c1cccnc1 ZINC000578477427 366576436 /nfs/dbraw/zinc/57/64/36/366576436.db2.gz PMJKOOUEXBLOJN-UHFFFAOYSA-N 1 2 216.244 0.941 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451191477 202369737 /nfs/dbraw/zinc/36/97/37/202369737.db2.gz RNAWHQKEZZYFHT-VIFPVBQESA-N 1 2 202.273 0.802 20 0 BCADLO CCCCNC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451140611 202364597 /nfs/dbraw/zinc/36/45/97/202364597.db2.gz SESGVBYROARPHT-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451140611 202364600 /nfs/dbraw/zinc/36/46/00/202364600.db2.gz SESGVBYROARPHT-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H](CC)CO)[nH]1 ZINC000451160134 202367074 /nfs/dbraw/zinc/36/70/74/202367074.db2.gz SSWFLNGCAZOHFN-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H](CC)CO)[nH]1 ZINC000451160134 202367076 /nfs/dbraw/zinc/36/70/76/202367076.db2.gz SSWFLNGCAZOHFN-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CC(C)N(CC[N@@H+]1CCOC[C@H]1C)C1COC1 ZINC000451119522 202356706 /nfs/dbraw/zinc/35/67/06/202356706.db2.gz FPQYKUOHJKACOA-GFCCVEGCSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)N(CC[N@H+]1CCOC[C@H]1C)C1COC1 ZINC000451119522 202356710 /nfs/dbraw/zinc/35/67/10/202356710.db2.gz FPQYKUOHJKACOA-GFCCVEGCSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)[N@@H+](C[C@H](C)CS(C)(=O)=O)C1COC1 ZINC000451121248 202357540 /nfs/dbraw/zinc/35/75/40/202357540.db2.gz QDPVWVJLPSQJFK-JTQLQIEISA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)[N@H+](C[C@H](C)CS(C)(=O)=O)C1COC1 ZINC000451121248 202357541 /nfs/dbraw/zinc/35/75/41/202357541.db2.gz QDPVWVJLPSQJFK-JTQLQIEISA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451121806 202358064 /nfs/dbraw/zinc/35/80/64/202358064.db2.gz UHIIOPZHSFMXRC-UHFFFAOYSA-N 1 2 212.293 0.374 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451121806 202358067 /nfs/dbraw/zinc/35/80/67/202358067.db2.gz UHIIOPZHSFMXRC-UHFFFAOYSA-N 1 2 212.293 0.374 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)NCC1CCC1 ZINC000451130575 202363882 /nfs/dbraw/zinc/36/38/82/202363882.db2.gz NILKJWZZZRKESD-UHFFFAOYSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)NCC1CCC1 ZINC000451130575 202363886 /nfs/dbraw/zinc/36/38/86/202363886.db2.gz NILKJWZZZRKESD-UHFFFAOYSA-N 1 2 238.331 0.766 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451191477 202369734 /nfs/dbraw/zinc/36/97/34/202369734.db2.gz RNAWHQKEZZYFHT-VIFPVBQESA-N 1 2 202.273 0.802 20 0 BCADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](F)C1 ZINC000451193341 202374445 /nfs/dbraw/zinc/37/44/45/202374445.db2.gz UUFHDMMZBXZRRT-OUAUKWLOSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](F)C1 ZINC000451193341 202374448 /nfs/dbraw/zinc/37/44/48/202374448.db2.gz UUFHDMMZBXZRRT-OUAUKWLOSA-N 1 2 244.310 0.714 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195928 202374566 /nfs/dbraw/zinc/37/45/66/202374566.db2.gz YKAPIVGQXCCAKA-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195928 202374569 /nfs/dbraw/zinc/37/45/69/202374569.db2.gz YKAPIVGQXCCAKA-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195798 202374623 /nfs/dbraw/zinc/37/46/23/202374623.db2.gz XZYOBHOETFUJFO-LLVKDONJSA-N 1 2 246.326 0.963 20 0 BCADLO CCCCOCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195798 202374626 /nfs/dbraw/zinc/37/46/26/202374626.db2.gz XZYOBHOETFUJFO-LLVKDONJSA-N 1 2 246.326 0.963 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000451237863 202383355 /nfs/dbraw/zinc/38/33/55/202383355.db2.gz XAXAVXQTYHVSAJ-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCOC[C@@H](O)C1 ZINC000451237863 202383358 /nfs/dbraw/zinc/38/33/58/202383358.db2.gz XAXAVXQTYHVSAJ-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1COC1 ZINC000451288907 202396162 /nfs/dbraw/zinc/39/61/62/202396162.db2.gz UQJHTEZAJYHLHV-SNVBAGLBSA-N 1 2 228.336 0.868 20 0 BCADLO CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1COC1 ZINC000451288907 202396165 /nfs/dbraw/zinc/39/61/65/202396165.db2.gz UQJHTEZAJYHLHV-SNVBAGLBSA-N 1 2 228.336 0.868 20 0 BCADLO CCN(CCOC)C(=O)Cc1c[nH+]cn1C ZINC000578659860 366622026 /nfs/dbraw/zinc/62/20/26/366622026.db2.gz JAHJSXOGPLRXRE-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628515542 359918656 /nfs/dbraw/zinc/91/86/56/359918656.db2.gz JWWOJZMTLWEAQZ-DTORHVGOSA-N 1 2 205.261 0.739 20 0 BCADLO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@@H]2C1)c1c[nH+]cn1C ZINC000628516003 359937463 /nfs/dbraw/zinc/93/74/63/359937463.db2.gz RBDFMOWABBYXRV-UMNHJUIQSA-N 1 2 248.330 0.501 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612636191 359956051 /nfs/dbraw/zinc/95/60/51/359956051.db2.gz NDBKKSBWUXPGDM-HLTSFMKQSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612636191 359956054 /nfs/dbraw/zinc/95/60/54/359956054.db2.gz NDBKKSBWUXPGDM-HLTSFMKQSA-N 1 2 235.287 0.154 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628517904 359971253 /nfs/dbraw/zinc/97/12/53/359971253.db2.gz XZBWARMEWDPPKG-MXWKQRLJSA-N 1 2 231.299 0.924 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000088753346 359975278 /nfs/dbraw/zinc/97/52/78/359975278.db2.gz SZJQSHKZKAMCHK-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000088753346 359975281 /nfs/dbraw/zinc/97/52/81/359975281.db2.gz SZJQSHKZKAMCHK-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451507444 202432725 /nfs/dbraw/zinc/43/27/25/202432725.db2.gz WYXMKGYPAASMDB-SZEHBUNVSA-N 1 2 215.293 0.809 20 0 BCADLO CN(CC1(CO)CC1)C(=O)Cn1cc[nH+]c1 ZINC000578950309 366679151 /nfs/dbraw/zinc/67/91/51/366679151.db2.gz NLYLKLCCMFGEEG-UHFFFAOYSA-N 1 2 223.276 0.114 20 0 BCADLO COC(=O)C1(NCc2[nH+]ccn2C)CCCC1 ZINC000089422398 360019441 /nfs/dbraw/zinc/01/94/41/360019441.db2.gz WWTMJUXFEMQPAU-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000089679464 360033629 /nfs/dbraw/zinc/03/36/29/360033629.db2.gz DICLEEIUNNNDJQ-SECBINFHSA-N 1 2 240.347 0.746 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009174 360054018 /nfs/dbraw/zinc/05/40/18/360054018.db2.gz AEXUAOYNHBNVCB-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009174 360054019 /nfs/dbraw/zinc/05/40/19/360054019.db2.gz AEXUAOYNHBNVCB-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612793018 360060044 /nfs/dbraw/zinc/06/00/44/360060044.db2.gz CBCSJYOBSICHOV-WCBMZHEXSA-N 1 2 249.314 0.998 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612793018 360060045 /nfs/dbraw/zinc/06/00/45/360060045.db2.gz CBCSJYOBSICHOV-WCBMZHEXSA-N 1 2 249.314 0.998 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C1(CO)CC1 ZINC000617899074 360074973 /nfs/dbraw/zinc/07/49/73/360074973.db2.gz PHMVBSIFBQREGI-VIFPVBQESA-N 1 2 237.303 0.240 20 0 BCADLO CC(C)(C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698420 360084150 /nfs/dbraw/zinc/08/41/50/360084150.db2.gz DAFDTBJMGKCJEI-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092008001 360144651 /nfs/dbraw/zinc/14/46/51/360144651.db2.gz HPFMKDMLRPYKGS-BXKDBHETSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092008001 360144654 /nfs/dbraw/zinc/14/46/54/360144654.db2.gz HPFMKDMLRPYKGS-BXKDBHETSA-N 1 2 249.314 0.465 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612860912 360126362 /nfs/dbraw/zinc/12/63/62/360126362.db2.gz NQZGEZGMDQYXMA-BDAKNGLRSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612860912 360126366 /nfs/dbraw/zinc/12/63/66/360126366.db2.gz NQZGEZGMDQYXMA-BDAKNGLRSA-N 1 2 235.287 0.420 20 0 BCADLO COCCN1CC[N@H+](CCCF)CC1=O ZINC000091829116 360131754 /nfs/dbraw/zinc/13/17/54/360131754.db2.gz PHNYKRFSOUJSTI-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO COCCN1CC[N@@H+](CCCF)CC1=O ZINC000091829116 360131755 /nfs/dbraw/zinc/13/17/55/360131755.db2.gz PHNYKRFSOUJSTI-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC(C)(C)C1 ZINC000091917278 360135101 /nfs/dbraw/zinc/13/51/01/360135101.db2.gz BAXQSFBCCBHNDI-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC(C)(C)C1 ZINC000091917278 360135102 /nfs/dbraw/zinc/13/51/02/360135102.db2.gz BAXQSFBCCBHNDI-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1nccc1C[N@H+](C)Cc1cnccn1 ZINC000092591495 360184428 /nfs/dbraw/zinc/18/44/28/360184428.db2.gz RZQOSDXOBRZJEM-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nccc1C[N@@H+](C)Cc1cnccn1 ZINC000092591495 360184433 /nfs/dbraw/zinc/18/44/33/360184433.db2.gz RZQOSDXOBRZJEM-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000092617136 360185321 /nfs/dbraw/zinc/18/53/21/360185321.db2.gz GFQGICHAZWNRJB-UHFFFAOYSA-N 1 2 210.281 0.863 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000092617136 360185325 /nfs/dbraw/zinc/18/53/25/360185325.db2.gz GFQGICHAZWNRJB-UHFFFAOYSA-N 1 2 210.281 0.863 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614026821 363709694 /nfs/dbraw/zinc/70/96/94/363709694.db2.gz UKHDTDDLWZSJEZ-SECBINFHSA-N 1 2 219.288 0.993 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614026821 363709699 /nfs/dbraw/zinc/70/96/99/363709699.db2.gz UKHDTDDLWZSJEZ-SECBINFHSA-N 1 2 219.288 0.993 20 0 BCADLO C[C@@H]1OCC[N@H+](Cc2cnnn2C)[C@H]1C ZINC000093417741 360241793 /nfs/dbraw/zinc/24/17/93/360241793.db2.gz GDKVSLXNIGGIEA-IUCAKERBSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1OCC[N@@H+](Cc2cnnn2C)[C@H]1C ZINC000093417741 360241795 /nfs/dbraw/zinc/24/17/95/360241795.db2.gz GDKVSLXNIGGIEA-IUCAKERBSA-N 1 2 210.281 0.424 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613131568 360401298 /nfs/dbraw/zinc/40/12/98/360401298.db2.gz JRNAMGCGDOGRSY-NXEZZACHSA-N 1 2 235.287 0.619 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000613130950 360404446 /nfs/dbraw/zinc/40/44/46/360404446.db2.gz BBCLVSIGZHPVQL-VIFPVBQESA-N 1 2 235.287 0.541 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCO2 ZINC000628790761 360655371 /nfs/dbraw/zinc/65/53/71/360655371.db2.gz AYBFXFWYTWASKG-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCCO2 ZINC000628790761 360655377 /nfs/dbraw/zinc/65/53/77/360655377.db2.gz AYBFXFWYTWASKG-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N(C1CC1)C1CC1 ZINC000628814155 360677216 /nfs/dbraw/zinc/67/72/16/360677216.db2.gz CPLVXABJJODXSH-NSHDSACASA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N(C1CC1)C1CC1 ZINC000628814155 360677217 /nfs/dbraw/zinc/67/72/17/360677217.db2.gz CPLVXABJJODXSH-NSHDSACASA-N 1 2 224.304 0.470 20 0 BCADLO CN(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000631537105 360683304 /nfs/dbraw/zinc/68/33/04/360683304.db2.gz OPWBWFQUXMWZGE-UHFFFAOYSA-N 1 2 210.281 0.889 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CC1(F)F ZINC000628912270 360744859 /nfs/dbraw/zinc/74/48/59/360744859.db2.gz HEMSWIPTIJSEKI-SCZZXKLOSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CC1(F)F ZINC000628912270 360744863 /nfs/dbraw/zinc/74/48/63/360744863.db2.gz HEMSWIPTIJSEKI-SCZZXKLOSA-N 1 2 248.273 0.479 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914014 360746906 /nfs/dbraw/zinc/74/69/06/360746906.db2.gz FFHGKRUFCOSFNA-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914014 360746910 /nfs/dbraw/zinc/74/69/10/360746910.db2.gz FFHGKRUFCOSFNA-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCF ZINC000628911832 360747217 /nfs/dbraw/zinc/74/72/17/360747217.db2.gz NFKFOWFZVROMIR-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCF ZINC000628911832 360747221 /nfs/dbraw/zinc/74/72/21/360747221.db2.gz NFKFOWFZVROMIR-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914656 360748783 /nfs/dbraw/zinc/74/87/83/360748783.db2.gz ONVPHAFOCINSEV-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914656 360748791 /nfs/dbraw/zinc/74/87/91/360748791.db2.gz ONVPHAFOCINSEV-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915404 360749653 /nfs/dbraw/zinc/74/96/53/360749653.db2.gz RVBVCWDIJKRDPP-SRVKXCTJSA-N 1 2 240.347 0.725 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915404 360749656 /nfs/dbraw/zinc/74/96/56/360749656.db2.gz RVBVCWDIJKRDPP-SRVKXCTJSA-N 1 2 240.347 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCCO1 ZINC000628915897 360749706 /nfs/dbraw/zinc/74/97/06/360749706.db2.gz AHTNPFRLZKWCBA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCCO1 ZINC000628915897 360749711 /nfs/dbraw/zinc/74/97/11/360749711.db2.gz AHTNPFRLZKWCBA-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO Cc1ncccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916045 360750970 /nfs/dbraw/zinc/75/09/70/360750970.db2.gz GAXMJVXBRJILDP-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916045 360750972 /nfs/dbraw/zinc/75/09/72/360750972.db2.gz GAXMJVXBRJILDP-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCSC1 ZINC000628918602 360751116 /nfs/dbraw/zinc/75/11/16/360751116.db2.gz NNWZZBFFNHYNPB-ZJUUUORDSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCSC1 ZINC000628918602 360751120 /nfs/dbraw/zinc/75/11/20/360751120.db2.gz NNWZZBFFNHYNPB-ZJUUUORDSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628916583 360751164 /nfs/dbraw/zinc/75/11/64/360751164.db2.gz FQFFRJWDCQROEL-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628916583 360751168 /nfs/dbraw/zinc/75/11/68/360751168.db2.gz FQFFRJWDCQROEL-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000628916005 360751623 /nfs/dbraw/zinc/75/16/23/360751623.db2.gz AZRTUJUQFMANMI-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000628916005 360751627 /nfs/dbraw/zinc/75/16/27/360751627.db2.gz AZRTUJUQFMANMI-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918605 360751736 /nfs/dbraw/zinc/75/17/36/360751736.db2.gz NOSRNTVGBKLPMU-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918605 360751741 /nfs/dbraw/zinc/75/17/41/360751741.db2.gz NOSRNTVGBKLPMU-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccco1 ZINC000628917466 360753020 /nfs/dbraw/zinc/75/30/20/360753020.db2.gz IUQKJDDQQRJPAF-JTQLQIEISA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccco1 ZINC000628917466 360753026 /nfs/dbraw/zinc/75/30/26/360753026.db2.gz IUQKJDDQQRJPAF-JTQLQIEISA-N 1 2 238.287 0.269 20 0 BCADLO CC1=C(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC1 ZINC000628917435 360753147 /nfs/dbraw/zinc/75/31/47/360753147.db2.gz KISAAXJMDGOUPD-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO CC1=C(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC1 ZINC000628917435 360753149 /nfs/dbraw/zinc/75/31/49/360753149.db2.gz KISAAXJMDGOUPD-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO CCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921189 360753522 /nfs/dbraw/zinc/75/35/22/360753522.db2.gz GSBLWDAQKCOZPM-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921189 360753527 /nfs/dbraw/zinc/75/35/27/360753527.db2.gz GSBLWDAQKCOZPM-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000628918333 360754087 /nfs/dbraw/zinc/75/40/87/360754087.db2.gz OAYVENDPDDSUEV-NXEZZACHSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000628918333 360754091 /nfs/dbraw/zinc/75/40/91/360754091.db2.gz OAYVENDPDDSUEV-NXEZZACHSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COC(C)(C)C ZINC000628919647 360755526 /nfs/dbraw/zinc/75/55/26/360755526.db2.gz UGYCKQOTXHWJRG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)COC(C)(C)C ZINC000628919647 360755529 /nfs/dbraw/zinc/75/55/29/360755529.db2.gz UGYCKQOTXHWJRG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000628926541 360757690 /nfs/dbraw/zinc/75/76/90/360757690.db2.gz RCYUWPZPVADLIP-VIFPVBQESA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000628926541 360757695 /nfs/dbraw/zinc/75/76/95/360757695.db2.gz RCYUWPZPVADLIP-VIFPVBQESA-N 1 2 223.276 0.075 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC000628926017 360758546 /nfs/dbraw/zinc/75/85/46/360758546.db2.gz NIDZQBOSQYBERJ-GFCCVEGCSA-N 1 2 234.299 0.747 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC000628926017 360758550 /nfs/dbraw/zinc/75/85/50/360758550.db2.gz NIDZQBOSQYBERJ-GFCCVEGCSA-N 1 2 234.299 0.747 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1ncc[nH]1)C(=O)NCCF ZINC000309556597 491151348 /nfs/dbraw/zinc/15/13/48/491151348.db2.gz JWZIILADHSQLAY-HTQZYQBOSA-N 1 2 228.271 0.535 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000634034168 360780163 /nfs/dbraw/zinc/78/01/63/360780163.db2.gz XQTFMQABNLZWNW-OVYXKVPISA-N 1 2 237.303 0.943 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105872391 200684613 /nfs/dbraw/zinc/68/46/13/200684613.db2.gz IFTZIQGOJOAUBA-RKDXNWHRSA-N 1 2 238.291 0.134 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629142778 360900416 /nfs/dbraw/zinc/90/04/16/360900416.db2.gz HPXBVQWMOCYCJK-JQWIXIFHSA-N 1 2 249.314 0.646 20 0 BCADLO Cc1nc(C[N@H+](CCO)CC2CC2)no1 ZINC000064516176 360937220 /nfs/dbraw/zinc/93/72/20/360937220.db2.gz UDENPHAXWASYRH-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CC2CC2)no1 ZINC000064516176 360937225 /nfs/dbraw/zinc/93/72/25/360937225.db2.gz UDENPHAXWASYRH-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO O=C(C[NH2+]Cc1cocn1)NC1CCCC1 ZINC000309597155 491152892 /nfs/dbraw/zinc/15/28/92/491152892.db2.gz VBAQYIOHHPRCNO-UHFFFAOYSA-N 1 2 223.276 0.823 20 0 BCADLO CNc1[nH+]cnc2c1cnn2[C@@H](C)[C@H](C)O ZINC000309631819 491153254 /nfs/dbraw/zinc/15/32/54/491153254.db2.gz IAKXENRRWGTJJZ-BQBZGAKWSA-N 1 2 221.264 0.810 20 0 BCADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1cnccn1 ZINC000629287444 360988503 /nfs/dbraw/zinc/98/85/03/360988503.db2.gz UVYZOQYPYYOAML-UHFFFAOYSA-N 1 2 234.303 0.781 20 0 BCADLO Cc1conc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000631207641 361014831 /nfs/dbraw/zinc/01/48/31/361014831.db2.gz ISPIFEMTZOGRGI-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631208449 361060733 /nfs/dbraw/zinc/06/07/33/361060733.db2.gz YVXVUBMRPKIMCF-OPRDCNLKSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000424200019 200886771 /nfs/dbraw/zinc/88/67/71/200886771.db2.gz FTBMZBHIXUDNEK-BZNPZCIMSA-N 1 2 230.258 0.898 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000640474918 361246065 /nfs/dbraw/zinc/24/60/65/361246065.db2.gz VOHQRMYRHBAPNW-UFBFGSQYSA-N 1 2 247.254 0.896 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000640474918 361246068 /nfs/dbraw/zinc/24/60/68/361246068.db2.gz VOHQRMYRHBAPNW-UFBFGSQYSA-N 1 2 247.254 0.896 20 0 BCADLO CCCCc1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474927 361246897 /nfs/dbraw/zinc/24/68/97/361246897.db2.gz VQLBXMAZGPROMX-BXKDBHETSA-N 1 2 237.303 0.979 20 0 BCADLO CCCCc1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474927 361246902 /nfs/dbraw/zinc/24/69/02/361246902.db2.gz VQLBXMAZGPROMX-BXKDBHETSA-N 1 2 237.303 0.979 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640472446 361241273 /nfs/dbraw/zinc/24/12/73/361241273.db2.gz BGSJSSDDTSVMOF-MWLCHTKSSA-N 1 2 237.307 0.040 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640472446 361241279 /nfs/dbraw/zinc/24/12/79/361241279.db2.gz BGSJSSDDTSVMOF-MWLCHTKSSA-N 1 2 237.307 0.040 20 0 BCADLO CCCCOCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426134231 200970907 /nfs/dbraw/zinc/97/09/07/200970907.db2.gz SIEBSBSGAJZTJF-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426134231 200970909 /nfs/dbraw/zinc/97/09/09/200970909.db2.gz SIEBSBSGAJZTJF-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CC1(C)C[N@H+](Cc2cnns2)C[C@H]1O ZINC000306624846 361284896 /nfs/dbraw/zinc/28/48/96/361284896.db2.gz FYHZKGGPEWCMOY-MRVPVSSYSA-N 1 2 213.306 0.741 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnns2)C[C@H]1O ZINC000306624846 361284900 /nfs/dbraw/zinc/28/49/00/361284900.db2.gz FYHZKGGPEWCMOY-MRVPVSSYSA-N 1 2 213.306 0.741 20 0 BCADLO CO[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000579003154 366692355 /nfs/dbraw/zinc/69/23/55/366692355.db2.gz YGZLTPBUELQCOL-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478919 361255708 /nfs/dbraw/zinc/25/57/08/361255708.db2.gz CJPBERGNOUFXHS-ONGXEEELSA-N 1 2 222.292 0.426 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478919 361255712 /nfs/dbraw/zinc/25/57/12/361255712.db2.gz CJPBERGNOUFXHS-ONGXEEELSA-N 1 2 222.292 0.426 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640478575 361255769 /nfs/dbraw/zinc/25/57/69/361255769.db2.gz WPJKDESUOQKKFW-HKPALBBZSA-N 1 2 209.249 0.506 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640478575 361255775 /nfs/dbraw/zinc/25/57/75/361255775.db2.gz WPJKDESUOQKKFW-HKPALBBZSA-N 1 2 209.249 0.506 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)[nH]1 ZINC000428293675 201006047 /nfs/dbraw/zinc/00/60/47/201006047.db2.gz CHTRGFIHKBONSV-ZJUUUORDSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)[nH]1 ZINC000428293675 201006049 /nfs/dbraw/zinc/00/60/49/201006049.db2.gz CHTRGFIHKBONSV-ZJUUUORDSA-N 1 2 224.308 0.706 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCOC1 ZINC000579064833 366703721 /nfs/dbraw/zinc/70/37/21/366703721.db2.gz LNADKOJJORBTJD-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000426760247 201000269 /nfs/dbraw/zinc/00/02/69/201000269.db2.gz QPUAJRDGGRSTKD-LBPRGKRZSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000426760247 201000272 /nfs/dbraw/zinc/00/02/72/201000272.db2.gz QPUAJRDGGRSTKD-LBPRGKRZSA-N 1 2 242.319 0.492 20 0 BCADLO CCOCCC(=O)NCc1[nH+]ccn1CC ZINC000579024477 366699656 /nfs/dbraw/zinc/69/96/56/366699656.db2.gz OUVKGDJZSNVCBQ-UHFFFAOYSA-N 1 2 225.292 0.946 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)[nH]1 ZINC000428382891 201014284 /nfs/dbraw/zinc/01/42/84/201014284.db2.gz KRYSAKTZBUFDKF-GFCCVEGCSA-N 1 2 249.318 0.215 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)[nH]1 ZINC000428382891 201014287 /nfs/dbraw/zinc/01/42/87/201014287.db2.gz KRYSAKTZBUFDKF-GFCCVEGCSA-N 1 2 249.318 0.215 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)ncn1 ZINC000428434999 201015626 /nfs/dbraw/zinc/01/56/26/201015626.db2.gz MXNVWCMAHJKJPN-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)ncn1 ZINC000428434999 201015629 /nfs/dbraw/zinc/01/56/29/201015629.db2.gz MXNVWCMAHJKJPN-CYBMUJFWSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ncn1 ZINC000428443657 201018123 /nfs/dbraw/zinc/01/81/23/201018123.db2.gz SEWUYNQASSVOCU-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ncn1 ZINC000428443657 201018125 /nfs/dbraw/zinc/01/81/25/201018125.db2.gz SEWUYNQASSVOCU-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)CC(=O)N(C)C)cn1 ZINC000428472304 201021802 /nfs/dbraw/zinc/02/18/02/201021802.db2.gz HJIUIPPZBIZYOJ-JTQLQIEISA-N 1 2 236.319 0.866 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000428472304 201021805 /nfs/dbraw/zinc/02/18/05/201021805.db2.gz HJIUIPPZBIZYOJ-JTQLQIEISA-N 1 2 236.319 0.866 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000428302854 201008418 /nfs/dbraw/zinc/00/84/18/201008418.db2.gz NYHSSTWXZKIZNV-RKDXNWHRSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000428302854 201008420 /nfs/dbraw/zinc/00/84/20/201008420.db2.gz NYHSSTWXZKIZNV-RKDXNWHRSA-N 1 2 223.324 0.638 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)nn1 ZINC000428299213 201008607 /nfs/dbraw/zinc/00/86/07/201008607.db2.gz DPAOJXRMWOEAEL-KOLCDFICSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)nn1 ZINC000428299213 201008610 /nfs/dbraw/zinc/00/86/10/201008610.db2.gz DPAOJXRMWOEAEL-KOLCDFICSA-N 1 2 224.308 0.672 20 0 BCADLO O=C(C[NH2+]Cc1cocn1)NCc1ccco1 ZINC000428876362 201047290 /nfs/dbraw/zinc/04/72/90/201047290.db2.gz LDAGDJUBEWFTNY-UHFFFAOYSA-N 1 2 235.243 0.674 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)[nH]1 ZINC000428940937 201049561 /nfs/dbraw/zinc/04/95/61/201049561.db2.gz SNOWUJKWCMQIEM-PSASIEDQSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1nnc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)[nH]1 ZINC000428940937 201049562 /nfs/dbraw/zinc/04/95/62/201049562.db2.gz SNOWUJKWCMQIEM-PSASIEDQSA-N 1 2 240.307 0.085 20 0 BCADLO C[NH+](C)CCN1N=C(c2cccnc2)CC1=O ZINC000614186918 363749064 /nfs/dbraw/zinc/74/90/64/363749064.db2.gz OMGNMUNZYUBQHD-UHFFFAOYSA-N 1 2 232.287 0.580 20 0 BCADLO C[NH+](C)CCn1[nH]c(-c2cccnc2)cc1=O ZINC000614186918 363749066 /nfs/dbraw/zinc/74/90/66/363749066.db2.gz OMGNMUNZYUBQHD-UHFFFAOYSA-N 1 2 232.287 0.580 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079785198 370692899 /nfs/dbraw/zinc/69/28/99/370692899.db2.gz DSGYPKPOEDGQLZ-SECBINFHSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000079785198 370692904 /nfs/dbraw/zinc/69/29/04/370692904.db2.gz DSGYPKPOEDGQLZ-SECBINFHSA-N 1 2 201.266 0.252 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000429117175 201069256 /nfs/dbraw/zinc/06/92/56/201069256.db2.gz TZPLGZZSWZQXNC-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000429117175 201069260 /nfs/dbraw/zinc/06/92/60/201069260.db2.gz TZPLGZZSWZQXNC-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cccnc1OC ZINC000429133494 201070289 /nfs/dbraw/zinc/07/02/89/201070289.db2.gz HTWCAGHANVGOMO-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cccnc1OC ZINC000429133494 201070292 /nfs/dbraw/zinc/07/02/92/201070292.db2.gz HTWCAGHANVGOMO-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000429133223 201070548 /nfs/dbraw/zinc/07/05/48/201070548.db2.gz XTTDVUWYFNHMML-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000429133223 201070552 /nfs/dbraw/zinc/07/05/52/201070552.db2.gz XTTDVUWYFNHMML-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCNC1=O ZINC000614276091 363767252 /nfs/dbraw/zinc/76/72/52/363767252.db2.gz NCHWBPYPWSKUBV-SECBINFHSA-N 1 2 244.254 0.409 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCNC1=O ZINC000614276092 363767793 /nfs/dbraw/zinc/76/77/93/363767793.db2.gz NCHWBPYPWSKUBV-VIFPVBQESA-N 1 2 244.254 0.409 20 0 BCADLO COC[C@H](OC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614278137 363769059 /nfs/dbraw/zinc/76/90/59/363769059.db2.gz ZFXNZXBGNSZFGU-JTQLQIEISA-N 1 2 249.270 0.934 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cnc(C)o1 ZINC000397909735 363773933 /nfs/dbraw/zinc/77/39/33/363773933.db2.gz CGXJHJLIMBRUOQ-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CC(C)(CO)CNC(=O)CCn1cc[nH+]c1 ZINC000133542059 491157025 /nfs/dbraw/zinc/15/70/25/491157025.db2.gz BKEALIYPBIAWJS-UHFFFAOYSA-N 1 2 225.292 0.408 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000429120846 201067548 /nfs/dbraw/zinc/06/75/48/201067548.db2.gz IJFXDIVHVMAJRW-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000429120846 201067549 /nfs/dbraw/zinc/06/75/49/201067549.db2.gz IJFXDIVHVMAJRW-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)CC ZINC000429159545 201075882 /nfs/dbraw/zinc/07/58/82/201075882.db2.gz FFTUJEYKLAZEFA-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)CC ZINC000429159545 201075885 /nfs/dbraw/zinc/07/58/85/201075885.db2.gz FFTUJEYKLAZEFA-VIFPVBQESA-N 1 2 229.324 0.098 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(OC)ccn1 ZINC000429176477 201076094 /nfs/dbraw/zinc/07/60/94/201076094.db2.gz OBTAJRLDJGWWLR-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(OC)ccn1 ZINC000429176477 201076097 /nfs/dbraw/zinc/07/60/97/201076097.db2.gz OBTAJRLDJGWWLR-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCCN(CC(N)=O)Cc1cc(OC)cc[nH+]1 ZINC000429176477 201076100 /nfs/dbraw/zinc/07/61/00/201076100.db2.gz OBTAJRLDJGWWLR-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C1(CO)CCC1 ZINC000429245674 201084435 /nfs/dbraw/zinc/08/44/35/201084435.db2.gz KVFXVPHWWIDNIK-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C1(CO)CCC1 ZINC000429245674 201084437 /nfs/dbraw/zinc/08/44/37/201084437.db2.gz KVFXVPHWWIDNIK-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000429362875 201105126 /nfs/dbraw/zinc/10/51/26/201105126.db2.gz NNURYERMTIBCTG-MRVPVSSYSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000429362875 201105127 /nfs/dbraw/zinc/10/51/27/201105127.db2.gz NNURYERMTIBCTG-MRVPVSSYSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cs1 ZINC000579283601 366753477 /nfs/dbraw/zinc/75/34/77/366753477.db2.gz NGIDGZLZJMHUNH-ONGXEEELSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cs1 ZINC000579283601 366753482 /nfs/dbraw/zinc/75/34/82/366753482.db2.gz NGIDGZLZJMHUNH-ONGXEEELSA-N 1 2 242.344 0.627 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnn(C)c2)CC[S@]1=O ZINC000429556516 201116002 /nfs/dbraw/zinc/11/60/02/201116002.db2.gz DWHSTHPJNDBVNQ-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnn(C)c2)CC[S@]1=O ZINC000429556516 201116005 /nfs/dbraw/zinc/11/60/05/201116005.db2.gz DWHSTHPJNDBVNQ-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO COC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429566255 201113857 /nfs/dbraw/zinc/11/38/57/201113857.db2.gz COGATKZPLPUWBU-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429566255 201113860 /nfs/dbraw/zinc/11/38/60/201113860.db2.gz COGATKZPLPUWBU-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO C[NH2+]CCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000579472205 366819870 /nfs/dbraw/zinc/81/98/70/366819870.db2.gz GZXFXDXUIRLBGF-RXMQYKEDSA-N 1 2 234.243 0.076 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccn(C(F)F)n1 ZINC000430156145 201148649 /nfs/dbraw/zinc/14/86/49/201148649.db2.gz LYEGABKJUPVLSJ-UHFFFAOYSA-N 1 2 246.261 0.976 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccn(C(F)F)n1 ZINC000430156145 201148653 /nfs/dbraw/zinc/14/86/53/201148653.db2.gz LYEGABKJUPVLSJ-UHFFFAOYSA-N 1 2 246.261 0.976 20 0 BCADLO CCC(O)(CC)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000629633699 361524066 /nfs/dbraw/zinc/52/40/66/361524066.db2.gz GONPFYQCNJEKKB-UHFFFAOYSA-N 1 2 239.319 0.893 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cnccn2)c1 ZINC000170213595 361497221 /nfs/dbraw/zinc/49/72/21/361497221.db2.gz UMOPDTVCYQDINV-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCOCC1CC1 ZINC000433958229 201200545 /nfs/dbraw/zinc/20/05/45/201200545.db2.gz GCUVWDMTUCSSPY-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542970 201226011 /nfs/dbraw/zinc/22/60/11/201226011.db2.gz PALPKRQKDNIVPO-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542970 201226014 /nfs/dbraw/zinc/22/60/14/201226014.db2.gz PALPKRQKDNIVPO-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000629688447 361601015 /nfs/dbraw/zinc/60/10/15/361601015.db2.gz KHJTWRWVAUTWJA-KYZUINATSA-N 1 2 237.303 0.981 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000629686315 361608545 /nfs/dbraw/zinc/60/85/45/361608545.db2.gz CEUPCFRKEMHGCB-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)N(C)CC ZINC000153511099 201243518 /nfs/dbraw/zinc/24/35/18/201243518.db2.gz BAOAZEKYCIFOHS-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO C[C@H]1COCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000434762062 201238223 /nfs/dbraw/zinc/23/82/23/201238223.db2.gz FSZSRUUWEDAKHF-WDEREUQCSA-N 1 2 237.303 0.672 20 0 BCADLO O=C(CSC1CC1)NCC[NH+]1CCOCC1 ZINC000448560558 201273634 /nfs/dbraw/zinc/27/36/34/201273634.db2.gz HXBLWHIPZQJJBC-UHFFFAOYSA-N 1 2 244.360 0.330 20 0 BCADLO O[C@H]1CCCN(c2ncc(-c3[nH]cc[nH+]3)cn2)C1 ZINC000629760701 361686878 /nfs/dbraw/zinc/68/68/78/361686878.db2.gz LMBGDIQESZDIRS-JTQLQIEISA-N 1 2 245.286 0.828 20 0 BCADLO OC1CCN(c2ncc(-c3c[nH]c[nH+]3)cn2)CC1 ZINC000629763956 361688090 /nfs/dbraw/zinc/68/80/90/361688090.db2.gz JXFJCNCOQCDRNJ-UHFFFAOYSA-N 1 2 245.286 0.828 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000436486910 201328730 /nfs/dbraw/zinc/32/87/30/201328730.db2.gz RXCHJEFFNPNPOX-LBPRGKRZSA-N 1 2 241.379 0.783 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000436486910 201328734 /nfs/dbraw/zinc/32/87/34/201328734.db2.gz RXCHJEFFNPNPOX-LBPRGKRZSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000436191409 201313233 /nfs/dbraw/zinc/31/32/33/201313233.db2.gz XUSMJXPDPZVYLR-TUAOUCFPSA-N 1 2 240.347 0.822 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)[nH]1 ZINC000436841679 201338941 /nfs/dbraw/zinc/33/89/41/201338941.db2.gz ULJZVSINHNSQSL-WPRPVWTQSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)[nH]1 ZINC000436841679 201338944 /nfs/dbraw/zinc/33/89/44/201338944.db2.gz ULJZVSINHNSQSL-WPRPVWTQSA-N 1 2 224.308 0.706 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1c(O)cccc1F ZINC000436987307 201340453 /nfs/dbraw/zinc/34/04/53/201340453.db2.gz ISPCLYBJHQRXKS-UHFFFAOYSA-N 1 2 238.262 0.967 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1COCC1(C)C ZINC000614430199 363813999 /nfs/dbraw/zinc/81/39/99/363813999.db2.gz BDMMZYHTBDJKKG-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000614545229 363842802 /nfs/dbraw/zinc/84/28/02/363842802.db2.gz GELOLAAYLRRPRE-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000614546116 363844122 /nfs/dbraw/zinc/84/41/22/363844122.db2.gz PQIFYAQYQXDKED-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000614546695 363844446 /nfs/dbraw/zinc/84/44/46/363844446.db2.gz KJPJQGOXBQXPKN-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO CCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000614546695 363844448 /nfs/dbraw/zinc/84/44/48/363844448.db2.gz KJPJQGOXBQXPKN-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H]2COC[C@H]2O)cs1 ZINC000328354927 363885323 /nfs/dbraw/zinc/88/53/23/363885323.db2.gz NYHGZCZGUPJKRV-VHSXEESVSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H]2COC[C@H]2O)cs1 ZINC000328354927 363885327 /nfs/dbraw/zinc/88/53/27/363885327.db2.gz NYHGZCZGUPJKRV-VHSXEESVSA-N 1 2 242.344 0.897 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCN1 ZINC000614736055 363946307 /nfs/dbraw/zinc/94/63/07/363946307.db2.gz CQALUTMGEFBAPZ-JTQLQIEISA-N 1 2 234.303 0.573 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614701019 363930942 /nfs/dbraw/zinc/93/09/42/363930942.db2.gz POKHTZVVHGCSTB-OHBODLIOSA-N 1 2 247.298 0.207 20 0 BCADLO C[C@H](CC(=O)N(C)C1(CO)CC1)n1cc[nH+]c1 ZINC000614764459 363957982 /nfs/dbraw/zinc/95/79/82/363957982.db2.gz VMMDMALNFSCUMI-SNVBAGLBSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@@H](CC(=O)N(C)C1(CO)CC1)n1cc[nH+]c1 ZINC000614764458 363958324 /nfs/dbraw/zinc/95/83/24/363958324.db2.gz VMMDMALNFSCUMI-JTQLQIEISA-N 1 2 237.303 0.818 20 0 BCADLO COC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409518 364143053 /nfs/dbraw/zinc/14/30/53/364143053.db2.gz VGNBEUPMYHTMLC-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO O=C1C[C@H]([N@@H+]2Cc3ccc(O)cc3C2)C(=O)N1 ZINC000630381657 364096164 /nfs/dbraw/zinc/09/61/64/364096164.db2.gz DDHOTIUMBYFVTK-JTQLQIEISA-N 1 2 232.239 0.123 20 0 BCADLO O=C1C[C@H]([N@H+]2Cc3ccc(O)cc3C2)C(=O)N1 ZINC000630381657 364096169 /nfs/dbraw/zinc/09/61/69/364096169.db2.gz DDHOTIUMBYFVTK-JTQLQIEISA-N 1 2 232.239 0.123 20 0 BCADLO CN1C(=O)C[C@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000630384264 364097588 /nfs/dbraw/zinc/09/75/88/364097588.db2.gz VVQRRLMHONUTJZ-NSHDSACASA-N 1 2 246.266 0.465 20 0 BCADLO CN1C(=O)C[C@H]([N@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000630384264 364097591 /nfs/dbraw/zinc/09/75/91/364097591.db2.gz VVQRRLMHONUTJZ-NSHDSACASA-N 1 2 246.266 0.465 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn(C)nn1 ZINC000622084044 370701356 /nfs/dbraw/zinc/70/13/56/370701356.db2.gz QLMBCNFRRTUCSA-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO CC(C)(F)CNC(=O)NCCn1cc[nH+]c1 ZINC000630401386 364130449 /nfs/dbraw/zinc/13/04/49/364130449.db2.gz ZNIXGLWOADFPJV-UHFFFAOYSA-N 1 2 228.271 0.930 20 0 BCADLO CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000630440443 364166636 /nfs/dbraw/zinc/16/66/36/364166636.db2.gz LPQGFDMVEXCOKG-UHFFFAOYSA-N 1 2 234.303 0.183 20 0 BCADLO COCC[N@H+](C)Cc1cn([C@@H]2CCOC2)nn1 ZINC000630601323 364321683 /nfs/dbraw/zinc/32/16/83/364321683.db2.gz WVJPZVDBOCUDQU-LLVKDONJSA-N 1 2 240.307 0.318 20 0 BCADLO COCC[N@@H+](C)Cc1cn([C@@H]2CCOC2)nn1 ZINC000630601323 364321688 /nfs/dbraw/zinc/32/16/88/364321688.db2.gz WVJPZVDBOCUDQU-LLVKDONJSA-N 1 2 240.307 0.318 20 0 BCADLO CC(=O)C(C)(C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000630606638 364330408 /nfs/dbraw/zinc/33/04/08/364330408.db2.gz MIUVQVIMBKIYGT-JTQLQIEISA-N 1 2 238.291 0.263 20 0 BCADLO COC1CC[NH+](Cc2cn(CCF)nn2)CC1 ZINC000630592005 364306341 /nfs/dbraw/zinc/30/63/41/364306341.db2.gz YEPNYIWCLDFGJC-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO Cc1cccnc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000630599704 364311549 /nfs/dbraw/zinc/31/15/49/364311549.db2.gz XICALFDRUUVTGS-NSHDSACASA-N 1 2 245.286 0.632 20 0 BCADLO Cc1nccnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000615038922 364405756 /nfs/dbraw/zinc/40/57/56/364405756.db2.gz ANHWECGCQRJGTE-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO Cc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)nc1 ZINC000630619157 364356790 /nfs/dbraw/zinc/35/67/90/364356790.db2.gz KQQLXJGNHKZGMO-LLVKDONJSA-N 1 2 245.286 0.632 20 0 BCADLO C[N@H+](CCO)Cc1cn(Cc2ccncc2)nn1 ZINC000630618025 364360330 /nfs/dbraw/zinc/36/03/30/364360330.db2.gz JVNYJZXDMILNFJ-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO C[N@@H+](CCO)Cc1cn(Cc2ccncc2)nn1 ZINC000630618025 364360334 /nfs/dbraw/zinc/36/03/34/364360334.db2.gz JVNYJZXDMILNFJ-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO c1snnc1CNCC[NH+]1CCSCC1 ZINC000134416997 364402610 /nfs/dbraw/zinc/40/26/10/364402610.db2.gz FKEBPSLHGLZRJI-UHFFFAOYSA-N 1 2 244.389 0.677 20 0 BCADLO CO[C@@H](C)CS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000579495444 366834100 /nfs/dbraw/zinc/83/41/00/366834100.db2.gz AXSFMKCXVNOWOL-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO CO[C@@H](C)CS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000579495444 366834107 /nfs/dbraw/zinc/83/41/07/366834107.db2.gz AXSFMKCXVNOWOL-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](O)C(C)C ZINC000580725220 366851438 /nfs/dbraw/zinc/85/14/38/366851438.db2.gz PQJKKJVZXZRQJP-JTQLQIEISA-N 1 2 225.292 0.536 20 0 BCADLO CCn1ncc(C(=O)NCCn2cc[nH+]c2)c1C ZINC000630735284 364523225 /nfs/dbraw/zinc/52/32/25/364523225.db2.gz RQZBUCYLEJWJKA-UHFFFAOYSA-N 1 2 247.302 0.838 20 0 BCADLO COc1cccnc1C(=O)NCCn1cc[nH+]c1 ZINC000630734683 364524788 /nfs/dbraw/zinc/52/47/88/364524788.db2.gz GISYDHFTYXNAQL-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000615176575 364595148 /nfs/dbraw/zinc/59/51/48/364595148.db2.gz ODQVZNLONIPTLE-JFUSQASVSA-N 1 2 247.298 0.514 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000615176575 364595153 /nfs/dbraw/zinc/59/51/53/364595153.db2.gz ODQVZNLONIPTLE-JFUSQASVSA-N 1 2 247.298 0.514 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000615365249 364745162 /nfs/dbraw/zinc/74/51/62/364745162.db2.gz SMMNSIKGENTTFB-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000615365249 364745170 /nfs/dbraw/zinc/74/51/70/364745170.db2.gz SMMNSIKGENTTFB-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCNC1=O ZINC000630866565 364697831 /nfs/dbraw/zinc/69/78/31/364697831.db2.gz NTDVSHMPUUKNKF-QMMMGPOBSA-N 1 2 249.270 0.555 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2CSC2)CCO1 ZINC000630879274 364730396 /nfs/dbraw/zinc/73/03/96/364730396.db2.gz IJIMRLYCGMRBLH-VIFPVBQESA-N 1 2 244.360 0.186 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2CSC2)CCO1 ZINC000630879274 364730397 /nfs/dbraw/zinc/73/03/97/364730397.db2.gz IJIMRLYCGMRBLH-VIFPVBQESA-N 1 2 244.360 0.186 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2COc3ccccc3C2)n1 ZINC000328080881 364807371 /nfs/dbraw/zinc/80/73/71/364807371.db2.gz BKQUIRNIBBVEON-SNVBAGLBSA-N 1 2 245.286 0.303 20 0 BCADLO CC(C)c1nc(N2CC(C)(C(N)=O)C2)cc[nH+]1 ZINC000567767657 364754212 /nfs/dbraw/zinc/75/42/12/364754212.db2.gz TVQLCPBCTUZNNY-UHFFFAOYSA-N 1 2 234.303 0.912 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000573086452 364783892 /nfs/dbraw/zinc/78/38/92/364783892.db2.gz IAEBFSGQIPHGIW-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000573086452 364783899 /nfs/dbraw/zinc/78/38/99/364783899.db2.gz IAEBFSGQIPHGIW-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCn2nccc21 ZINC000573536208 364854701 /nfs/dbraw/zinc/85/47/01/364854701.db2.gz XWSOVRZASFEISN-UHFFFAOYSA-N 1 2 231.259 0.517 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000233827296 541387611 /nfs/dbraw/zinc/38/76/11/541387611.db2.gz LTPHKLKAEMOWTF-QMMMGPOBSA-N 1 2 246.332 0.896 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2COC[C@H](C1)O2 ZINC000573816131 364923907 /nfs/dbraw/zinc/92/39/07/364923907.db2.gz ZFJLXLGXGJFDAA-PHIMTYICSA-N 1 2 235.287 0.697 20 0 BCADLO CCc1nnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)[nH]1 ZINC000573860712 364934368 /nfs/dbraw/zinc/93/43/68/364934368.db2.gz NAGSIECKAWLQRA-MRVPVSSYSA-N 1 2 237.307 0.646 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000283363087 541406676 /nfs/dbraw/zinc/40/66/76/541406676.db2.gz JBOKYDCYVQTUOS-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573932518 364948707 /nfs/dbraw/zinc/94/87/07/364948707.db2.gz LRVVAUDJJPSFPC-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573932518 364948712 /nfs/dbraw/zinc/94/87/12/364948712.db2.gz LRVVAUDJJPSFPC-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)cn1 ZINC000336014843 541424259 /nfs/dbraw/zinc/42/42/59/541424259.db2.gz IYZVPGASTDQXOR-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO CCCNC(=O)CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000574019106 364967349 /nfs/dbraw/zinc/96/73/49/364967349.db2.gz UWXZWJYUELJPQL-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCNC(=O)CCC[N@H+]1CCN(C)C(=O)C1 ZINC000574019106 364967355 /nfs/dbraw/zinc/96/73/55/364967355.db2.gz UWXZWJYUELJPQL-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CO[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000168631361 364969480 /nfs/dbraw/zinc/96/94/80/364969480.db2.gz IDOZEWFCYZGVJV-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC000574163214 364991576 /nfs/dbraw/zinc/99/15/76/364991576.db2.gz ZLFLRXOKWQGLSE-SECBINFHSA-N 1 2 240.332 0.557 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000574163214 364991579 /nfs/dbraw/zinc/99/15/79/364991579.db2.gz ZLFLRXOKWQGLSE-SECBINFHSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)[nH]1 ZINC000574216833 365013178 /nfs/dbraw/zinc/01/31/78/365013178.db2.gz MBEOAMASYKHICO-ZETCQYMHSA-N 1 2 223.280 0.392 20 0 BCADLO Cc1nc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n[nH]1 ZINC000574216833 365013183 /nfs/dbraw/zinc/01/31/83/365013183.db2.gz MBEOAMASYKHICO-ZETCQYMHSA-N 1 2 223.280 0.392 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@](C)(C(N)=O)C1 ZINC000574466377 365070745 /nfs/dbraw/zinc/07/07/45/365070745.db2.gz XYUPSUPFOMUJPV-LBPRGKRZSA-N 1 2 234.303 0.795 20 0 BCADLO CC(C)(CO)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000574289654 365030832 /nfs/dbraw/zinc/03/08/32/365030832.db2.gz HZPQWMJYEBFOCZ-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(CO)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000574289654 365030835 /nfs/dbraw/zinc/03/08/35/365030835.db2.gz HZPQWMJYEBFOCZ-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000574753549 365135220 /nfs/dbraw/zinc/13/52/20/365135220.db2.gz YZVHBPNQXXFBJB-SNVBAGLBSA-N 1 2 241.335 0.605 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000574753549 365135225 /nfs/dbraw/zinc/13/52/25/365135225.db2.gz YZVHBPNQXXFBJB-SNVBAGLBSA-N 1 2 241.335 0.605 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]C[C@H](C)O)no1 ZINC000330363617 365086218 /nfs/dbraw/zinc/08/62/18/365086218.db2.gz LXMBSCWTVFHCRF-ZETCQYMHSA-N 1 2 213.281 0.838 20 0 BCADLO COCC1(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000574701425 365126233 /nfs/dbraw/zinc/12/62/33/365126233.db2.gz BYPKMNMVVGHXSH-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO OCc1nnn2c1C[N@H+](CCCCCF)CC2 ZINC000574711204 365127951 /nfs/dbraw/zinc/12/79/51/365127951.db2.gz PLLZFXKZMXQFAZ-UHFFFAOYSA-N 1 2 242.298 0.726 20 0 BCADLO OCc1nnn2c1C[N@@H+](CCCCCF)CC2 ZINC000574711204 365127958 /nfs/dbraw/zinc/12/79/58/365127958.db2.gz PLLZFXKZMXQFAZ-UHFFFAOYSA-N 1 2 242.298 0.726 20 0 BCADLO C[C@H](CC(=O)N[C@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000575063989 365183812 /nfs/dbraw/zinc/18/38/12/365183812.db2.gz NBKWNCHPLCPBEM-RKDXNWHRSA-N 1 2 248.290 0.830 20 0 BCADLO C[C@H](CC(=O)N[C@H](C)c1nnc[nH]1)n1cc[nH+]c1 ZINC000575063989 365183818 /nfs/dbraw/zinc/18/38/18/365183818.db2.gz NBKWNCHPLCPBEM-RKDXNWHRSA-N 1 2 248.290 0.830 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)Cc1c[nH+]cn1C ZINC000574821610 365153891 /nfs/dbraw/zinc/15/38/91/365153891.db2.gz DNTHRHXYBNFAAV-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000171135769 365170786 /nfs/dbraw/zinc/17/07/86/365170786.db2.gz SMSXKOZDHWXFDW-NSHDSACASA-N 1 2 227.352 0.539 20 0 BCADLO C[N@H+](CCCO)Cc1cn(C(C)(C)C)nn1 ZINC000442968969 193007246 /nfs/dbraw/zinc/00/72/46/193007246.db2.gz XSTOBNJBOXBULY-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO C[N@@H+](CCCO)Cc1cn(C(C)(C)C)nn1 ZINC000442968969 193007248 /nfs/dbraw/zinc/00/72/48/193007248.db2.gz XSTOBNJBOXBULY-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CCOC[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000444088780 193034638 /nfs/dbraw/zinc/03/46/38/193034638.db2.gz TZMRSXLCLLVFQK-SNVBAGLBSA-N 1 2 247.298 0.861 20 0 BCADLO CC[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171417406 365197331 /nfs/dbraw/zinc/19/73/31/365197331.db2.gz SDKMZZHQRWJAMN-LLVKDONJSA-N 1 2 228.336 0.823 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCO ZINC000575135117 365218158 /nfs/dbraw/zinc/21/81/58/365218158.db2.gz SOGYOVIRYNPPGA-QMMMGPOBSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCO ZINC000575135117 365218164 /nfs/dbraw/zinc/21/81/64/365218164.db2.gz SOGYOVIRYNPPGA-QMMMGPOBSA-N 1 2 211.265 0.039 20 0 BCADLO CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000171574941 365218642 /nfs/dbraw/zinc/21/86/42/365218642.db2.gz NZBVKRCDWSIVPX-ZJUUUORDSA-N 1 2 229.324 0.415 20 0 BCADLO C[C@H]([C@H](C)NC(=O)N1CCC1)[NH+]1CCOCC1 ZINC000171716199 365228821 /nfs/dbraw/zinc/22/88/21/365228821.db2.gz UKNZPEKVJPIGAR-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H](O)C1CCC1 ZINC000622274539 370815063 /nfs/dbraw/zinc/81/50/63/370815063.db2.gz OFLLBDANUNUYOK-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nc(C)no2)CC1 ZINC000575925916 365416675 /nfs/dbraw/zinc/41/66/75/365416675.db2.gz DVKBICRRGGKJDK-UHFFFAOYSA-N 1 2 225.248 0.563 20 0 BCADLO COCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000575879478 365403513 /nfs/dbraw/zinc/40/35/13/365403513.db2.gz VZZLVUXOFMGNOX-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO COCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000575879478 365403519 /nfs/dbraw/zinc/40/35/19/365403519.db2.gz VZZLVUXOFMGNOX-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cnn(C)c1 ZINC000576170364 365509027 /nfs/dbraw/zinc/50/90/27/365509027.db2.gz HSGVDLDFFZMVTH-SECBINFHSA-N 1 2 247.302 0.985 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cnn(C)c1 ZINC000576170364 365509029 /nfs/dbraw/zinc/50/90/29/365509029.db2.gz HSGVDLDFFZMVTH-SECBINFHSA-N 1 2 247.302 0.985 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579851490 367050628 /nfs/dbraw/zinc/05/06/28/367050628.db2.gz PETCZNAFVUGPSS-MWLCHTKSSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579851490 367050634 /nfs/dbraw/zinc/05/06/34/367050634.db2.gz PETCZNAFVUGPSS-MWLCHTKSSA-N 1 2 239.319 0.721 20 0 BCADLO Cn1c(C[NH2+]C2(C(N)=O)CC2)nc2ccccc21 ZINC000183826031 367051915 /nfs/dbraw/zinc/05/19/15/367051915.db2.gz XCBQRHBHSZGASD-UHFFFAOYSA-N 1 2 244.298 0.681 20 0 BCADLO Cc1cccc2nc(C[NH2+]C3(C(N)=O)CC3)cn21 ZINC000183828727 367052002 /nfs/dbraw/zinc/05/20/02/367052002.db2.gz XFDIKCRFEPXNEB-UHFFFAOYSA-N 1 2 244.298 0.750 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)COC)[C@@H](C)CC ZINC000183590044 367032856 /nfs/dbraw/zinc/03/28/56/367032856.db2.gz DTFXALYYASIHNZ-HBNTYKKESA-N 1 2 247.335 0.561 20 0 BCADLO Cc1oncc1C[N@@H+](CC(N)=O)CC(C)C ZINC000185179525 367123537 /nfs/dbraw/zinc/12/35/37/367123537.db2.gz VRZZHJQNMDAEOF-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1oncc1C[N@H+](CC(N)=O)CC(C)C ZINC000185179525 367123544 /nfs/dbraw/zinc/12/35/44/367123544.db2.gz VRZZHJQNMDAEOF-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccnn1C ZINC000622307728 370835575 /nfs/dbraw/zinc/83/55/75/370835575.db2.gz JZTRPDYQULMWEI-SNVBAGLBSA-N 1 2 247.302 0.537 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1COCCO1)C(C)C ZINC000580814846 367175557 /nfs/dbraw/zinc/17/55/57/367175557.db2.gz GKDCKYXSZKRILX-ZJUUUORDSA-N 1 2 231.292 0.189 20 0 BCADLO CC(C)(NC(=O)Cc1ccon1)c1[nH]cc[nH+]1 ZINC000580838915 367183461 /nfs/dbraw/zinc/18/34/61/367183461.db2.gz XAZHFPWRJGTVEB-UHFFFAOYSA-N 1 2 234.259 0.992 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000580953680 367215525 /nfs/dbraw/zinc/21/55/25/367215525.db2.gz BMCPBODMHZIMQF-FBIMIBRVSA-N 1 2 235.287 0.085 20 0 BCADLO CS[C@@H](CO)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000380697925 367281057 /nfs/dbraw/zinc/28/10/57/367281057.db2.gz KIQKGCKSFFWBBC-BDAKNGLRSA-N 1 2 243.332 0.112 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000581188444 367288136 /nfs/dbraw/zinc/28/81/36/367288136.db2.gz PIZWNWNLXMFNJN-WDEREUQCSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000581188444 367288144 /nfs/dbraw/zinc/28/81/44/367288144.db2.gz PIZWNWNLXMFNJN-WDEREUQCSA-N 1 2 243.351 0.803 20 0 BCADLO COC(=O)c1cncnc1N(C)Cc1[nH]cc[nH+]1 ZINC000581446199 367474839 /nfs/dbraw/zinc/47/48/39/367474839.db2.gz JACGQAJQWPUBDH-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)OCC ZINC000581670169 367701103 /nfs/dbraw/zinc/70/11/03/367701103.db2.gz UHBPEYCSMRFZJE-NXEZZACHSA-N 1 2 217.309 0.936 20 0 BCADLO CC[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000581675908 367704245 /nfs/dbraw/zinc/70/42/45/367704245.db2.gz HWWRQAQEFDYMJZ-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000622353646 370863769 /nfs/dbraw/zinc/86/37/69/370863769.db2.gz XGSGWXDWAJQJJC-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1nc(N[C@@H]2CCCS(=O)(=O)C2)cc[nH+]1 ZINC000068941863 370863016 /nfs/dbraw/zinc/86/30/16/370863016.db2.gz YGGRDXKBYZUSGL-SECBINFHSA-N 1 2 241.316 0.774 20 0 BCADLO CC1(O)CC(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000622363904 370870036 /nfs/dbraw/zinc/87/00/36/370870036.db2.gz CUIXDVXHDSGQHA-UHFFFAOYSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnn2c1CCC2 ZINC000622364194 370870210 /nfs/dbraw/zinc/87/02/10/370870210.db2.gz NTPUFYYWBWNVQW-UHFFFAOYSA-N 1 2 245.286 0.525 20 0 BCADLO CCC[C@@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000622364290 370870223 /nfs/dbraw/zinc/87/02/23/370870223.db2.gz QLZCJBCBJVIVLQ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc2n(n1)CCC2 ZINC000622366533 370871081 /nfs/dbraw/zinc/87/10/81/370871081.db2.gz GLFZMRQWUJGUBD-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO CC[C@@H](O)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361383 370868022 /nfs/dbraw/zinc/86/80/22/370868022.db2.gz DQTKWXNTHJMXDJ-MRVPVSSYSA-N 1 2 211.265 0.529 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC(C)(O)C1 ZINC000622361493 370868376 /nfs/dbraw/zinc/86/83/76/370868376.db2.gz IXCDGJWLGGAURC-UHFFFAOYSA-N 1 2 223.276 0.529 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)[C@H](C)O1 ZINC000384647191 367711525 /nfs/dbraw/zinc/71/15/25/367711525.db2.gz UBFPXECIKHZOES-GJMOJQLCSA-N 1 2 209.236 0.770 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384643100 367711926 /nfs/dbraw/zinc/71/19/26/367711926.db2.gz SUJNIAOORCRZDR-LURQLKTLSA-N 1 2 201.266 0.703 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)[C@@H](C)O1 ZINC000384647192 367711974 /nfs/dbraw/zinc/71/19/74/367711974.db2.gz UBFPXECIKHZOES-PRJMDXOYSA-N 1 2 209.236 0.770 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCCCO ZINC000385019187 367773968 /nfs/dbraw/zinc/77/39/68/367773968.db2.gz KRKRAQIKUGYVAW-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCCCO ZINC000385019187 367773970 /nfs/dbraw/zinc/77/39/70/367773970.db2.gz KRKRAQIKUGYVAW-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cc2n(n1)CCCC2 ZINC000622384529 370881548 /nfs/dbraw/zinc/88/15/48/370881548.db2.gz JGZGGSVMUJUVHH-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cc2n(n1)CCCC2 ZINC000622384529 370881551 /nfs/dbraw/zinc/88/15/51/370881551.db2.gz JGZGGSVMUJUVHH-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(CO)c(F)c1 ZINC000622384834 370882175 /nfs/dbraw/zinc/88/21/75/370882175.db2.gz UCFKOXJINNENAJ-UHFFFAOYSA-N 1 2 249.245 0.971 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(CO)c(F)c1 ZINC000622384834 370882180 /nfs/dbraw/zinc/88/21/80/370882180.db2.gz UCFKOXJINNENAJ-UHFFFAOYSA-N 1 2 249.245 0.971 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cc2n(n1)CCC2 ZINC000622384424 370882469 /nfs/dbraw/zinc/88/24/69/370882469.db2.gz FGZFDQBRRBRFQO-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cc2n(n1)CCC2 ZINC000622384424 370882472 /nfs/dbraw/zinc/88/24/72/370882472.db2.gz FGZFDQBRRBRFQO-UHFFFAOYSA-N 1 2 231.259 0.482 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cn[nH]c1 ZINC000385280521 367816851 /nfs/dbraw/zinc/81/68/51/367816851.db2.gz GXEITKAHHFQNLC-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCc1nnc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000566174203 326007460 /nfs/dbraw/zinc/00/74/60/326007460.db2.gz REQBEDLYTWCEPF-SSDOTTSWSA-N 1 2 238.291 0.500 20 0 BCADLO CC[N@H+](Cc1snnc1C)[C@H]1CCNC1=O ZINC000581827076 367834030 /nfs/dbraw/zinc/83/40/30/367834030.db2.gz BHKZRWZPNQFKGH-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO CC[N@@H+](Cc1snnc1C)[C@H]1CCNC1=O ZINC000581827076 367834036 /nfs/dbraw/zinc/83/40/36/367834036.db2.gz BHKZRWZPNQFKGH-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO CC[N@H+](Cc1snnc1C)[C@@H]1CCNC1=O ZINC000581827075 367834403 /nfs/dbraw/zinc/83/44/03/367834403.db2.gz BHKZRWZPNQFKGH-MRVPVSSYSA-N 1 2 240.332 0.557 20 0 BCADLO CC[N@@H+](Cc1snnc1C)[C@@H]1CCNC1=O ZINC000581827075 367834407 /nfs/dbraw/zinc/83/44/07/367834407.db2.gz BHKZRWZPNQFKGH-MRVPVSSYSA-N 1 2 240.332 0.557 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(=O)C(C)(C)C ZINC000581920956 367918518 /nfs/dbraw/zinc/91/85/18/367918518.db2.gz LRYBCHPCPLCSDE-UHFFFAOYSA-N 1 2 237.303 0.694 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385977908 367892426 /nfs/dbraw/zinc/89/24/26/367892426.db2.gz PWIMKDLRBNMCOT-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385977908 367892430 /nfs/dbraw/zinc/89/24/30/367892430.db2.gz PWIMKDLRBNMCOT-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000016419696 367951599 /nfs/dbraw/zinc/95/15/99/367951599.db2.gz KEBALRKJAMJAQZ-UHFFFAOYSA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000016419696 367951603 /nfs/dbraw/zinc/95/16/03/367951603.db2.gz KEBALRKJAMJAQZ-UHFFFAOYSA-N 1 2 241.335 0.241 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CSC1 ZINC000630927820 367980027 /nfs/dbraw/zinc/98/00/27/367980027.db2.gz NJOWAXWCSJIQHD-SECBINFHSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1CSC1 ZINC000630927820 367980035 /nfs/dbraw/zinc/98/00/35/367980035.db2.gz NJOWAXWCSJIQHD-SECBINFHSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@H](CC(=O)N1CC(O)C1)n1cc[nH+]c1 ZINC000566331856 326034290 /nfs/dbraw/zinc/03/42/90/326034290.db2.gz VSDRLPSTDXCHOD-QMMMGPOBSA-N 1 2 209.249 0.037 20 0 BCADLO COC(C)(C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000581997754 368100229 /nfs/dbraw/zinc/10/02/29/368100229.db2.gz ZACGIPYPXTXHTF-QMMMGPOBSA-N 1 2 243.332 0.684 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ncnn1C ZINC000399322787 368159063 /nfs/dbraw/zinc/15/90/63/368159063.db2.gz JKXMWLNPYXSHEQ-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ncnn1C ZINC000399322787 368159070 /nfs/dbraw/zinc/15/90/70/368159070.db2.gz JKXMWLNPYXSHEQ-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO CN(C)c1c[nH+]cc(NCc2cn(C)nn2)c1 ZINC000630955946 368149761 /nfs/dbraw/zinc/14/97/61/368149761.db2.gz IVQCKZBCOOOCRI-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO C[NH+](C)C1(C(=O)NCc2n[nH]c(C3CC3)n2)CC1 ZINC000615669599 368200559 /nfs/dbraw/zinc/20/05/59/368200559.db2.gz MSTLHQWBIUYBDD-UHFFFAOYSA-N 1 2 249.318 0.393 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCOC1 ZINC000615759042 368271966 /nfs/dbraw/zinc/27/19/66/368271966.db2.gz YRGOABNMDMCIMT-UHFFFAOYSA-N 1 2 217.228 0.764 20 0 BCADLO C[N@H+](Cc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000038419293 368272430 /nfs/dbraw/zinc/27/24/30/368272430.db2.gz OQDJXJUYTXWGCI-UHFFFAOYSA-N 1 2 244.302 0.668 20 0 BCADLO C[N@@H+](Cc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000038419293 368272435 /nfs/dbraw/zinc/27/24/35/368272435.db2.gz OQDJXJUYTXWGCI-UHFFFAOYSA-N 1 2 244.302 0.668 20 0 BCADLO CC[C@H](C)NC(=O)C[NH+]1CCSCC1 ZINC000041366891 368278327 /nfs/dbraw/zinc/27/83/27/368278327.db2.gz AQGBRWUEPACGLA-VIFPVBQESA-N 1 2 216.350 0.950 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC1 ZINC000615765888 368294170 /nfs/dbraw/zinc/29/41/70/368294170.db2.gz ZTGCZDGIBIFLEX-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC1 ZINC000615765888 368294171 /nfs/dbraw/zinc/29/41/71/368294171.db2.gz ZTGCZDGIBIFLEX-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000043304554 368394700 /nfs/dbraw/zinc/39/47/00/368394700.db2.gz KRLJPXYPOROMHK-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000043304556 368394916 /nfs/dbraw/zinc/39/49/16/368394916.db2.gz KRLJPXYPOROMHK-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)n1cncn1 ZINC000045159010 368425652 /nfs/dbraw/zinc/42/56/52/368425652.db2.gz HJYVCGQRQHRRDR-JTQLQIEISA-N 1 2 248.290 0.242 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000044898748 368423879 /nfs/dbraw/zinc/42/38/79/368423879.db2.gz KXOYYLRDWVVYJE-UHFFFAOYSA-N 1 2 243.351 0.202 20 0 BCADLO CC(C)CNC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000044898748 368423883 /nfs/dbraw/zinc/42/38/83/368423883.db2.gz KXOYYLRDWVVYJE-UHFFFAOYSA-N 1 2 243.351 0.202 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000058577095 368514787 /nfs/dbraw/zinc/51/47/87/368514787.db2.gz LRKIBKAYJJCSNM-LLVKDONJSA-N 1 2 240.278 0.537 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000058577095 368514790 /nfs/dbraw/zinc/51/47/90/368514790.db2.gz LRKIBKAYJJCSNM-LLVKDONJSA-N 1 2 240.278 0.537 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000060995846 368558479 /nfs/dbraw/zinc/55/84/79/368558479.db2.gz RAQASLADGRZMSQ-UHFFFAOYSA-N 1 2 243.351 0.215 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000060995846 368558485 /nfs/dbraw/zinc/55/84/85/368558485.db2.gz RAQASLADGRZMSQ-UHFFFAOYSA-N 1 2 243.351 0.215 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000061785135 368569669 /nfs/dbraw/zinc/56/96/69/368569669.db2.gz LVHHYGJIKMBSJR-SNVBAGLBSA-N 1 2 243.351 0.167 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000061785135 368569673 /nfs/dbraw/zinc/56/96/73/368569673.db2.gz LVHHYGJIKMBSJR-SNVBAGLBSA-N 1 2 243.351 0.167 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ccno1 ZINC000066695917 368658111 /nfs/dbraw/zinc/65/81/11/368658111.db2.gz PHFVUFNRYAZVRJ-UHFFFAOYSA-N 1 2 211.265 0.631 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccno1 ZINC000066695917 368658115 /nfs/dbraw/zinc/65/81/15/368658115.db2.gz PHFVUFNRYAZVRJ-UHFFFAOYSA-N 1 2 211.265 0.631 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC12COC2 ZINC000615928808 368687464 /nfs/dbraw/zinc/68/74/64/368687464.db2.gz VQPLQSZVYIYPTB-UHFFFAOYSA-N 1 2 243.266 0.949 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457127562 203009455 /nfs/dbraw/zinc/00/94/55/203009455.db2.gz PLMVRZGNEYTGAN-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457127562 203009457 /nfs/dbraw/zinc/00/94/57/203009457.db2.gz PLMVRZGNEYTGAN-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000259778482 370942407 /nfs/dbraw/zinc/94/24/07/370942407.db2.gz MMXJWGHSGAFJCA-SECBINFHSA-N 1 2 217.309 0.888 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000259778482 370942412 /nfs/dbraw/zinc/94/24/12/370942412.db2.gz MMXJWGHSGAFJCA-SECBINFHSA-N 1 2 217.309 0.888 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CCOCC2)c1 ZINC000259800616 370943202 /nfs/dbraw/zinc/94/32/02/370943202.db2.gz IUDSNWBVQFCNHU-UHFFFAOYSA-N 1 2 236.271 0.634 20 0 BCADLO CC(C)(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000073795766 368816898 /nfs/dbraw/zinc/81/68/98/368816898.db2.gz VBTUVHWWNYAYKK-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO CC1(C)[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000074031243 368828155 /nfs/dbraw/zinc/82/81/55/368828155.db2.gz FJFDIHSVEUBCBA-AOOOYVTPSA-N 1 2 219.288 0.998 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000072983030 368788675 /nfs/dbraw/zinc/78/86/75/368788675.db2.gz GKSVIEOCSJEFNO-QMMMGPOBSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000072983030 368788683 /nfs/dbraw/zinc/78/86/83/368788683.db2.gz GKSVIEOCSJEFNO-QMMMGPOBSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](O)C1CC1 ZINC000615960476 368793833 /nfs/dbraw/zinc/79/38/33/368793833.db2.gz LPHRXORZAIWANC-WPRPVWTQSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c2[nH+]ccn21 ZINC000615962556 368797640 /nfs/dbraw/zinc/79/76/40/368797640.db2.gz DSSPYPIXILRVHK-QUARPLMYSA-N 1 2 247.298 0.898 20 0 BCADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000399983824 368939839 /nfs/dbraw/zinc/93/98/39/368939839.db2.gz LXCVFTBUQXCQQE-MNOVXSKESA-N 1 2 222.288 0.781 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCNC2=O)c[nH+]1 ZINC000616114669 368960336 /nfs/dbraw/zinc/96/03/36/368960336.db2.gz BRJUYMKXQMYJKF-LLVKDONJSA-N 1 2 247.298 0.451 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616199175 369034185 /nfs/dbraw/zinc/03/41/85/369034185.db2.gz XKDBIWCGRLQCKG-GMTAPVOTSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000457501163 203070839 /nfs/dbraw/zinc/07/08/39/203070839.db2.gz DERHARHAZOQFPD-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000457501163 203070841 /nfs/dbraw/zinc/07/08/41/203070841.db2.gz DERHARHAZOQFPD-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO CN(CC1=CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC000618381379 369132068 /nfs/dbraw/zinc/13/20/68/369132068.db2.gz JKKJGXAKESRFAA-UHFFFAOYSA-N 1 2 235.287 0.688 20 0 BCADLO Cc1nnsc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457711235 203092913 /nfs/dbraw/zinc/09/29/13/203092913.db2.gz AIBVWBXKJRZMTI-UHFFFAOYSA-N 1 2 240.332 0.669 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000618291181 369112465 /nfs/dbraw/zinc/11/24/65/369112465.db2.gz AFJBPJHPYRFWDI-ZDUSSCGKSA-N 1 2 249.314 0.647 20 0 BCADLO CC(=O)CCCC(=O)NC1C[NH+](C(C)C)C1 ZINC000457753346 203099015 /nfs/dbraw/zinc/09/90/15/203099015.db2.gz VATRRXJNQJRGPR-UHFFFAOYSA-N 1 2 226.320 0.955 20 0 BCADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000458128437 203136388 /nfs/dbraw/zinc/13/63/88/203136388.db2.gz HYZYWRIIGCSPSR-SDDRHHMPSA-N 1 2 240.347 0.868 20 0 BCADLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000106838737 369192672 /nfs/dbraw/zinc/19/26/72/369192672.db2.gz OCODBKBJDQRFQV-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458328854 203161983 /nfs/dbraw/zinc/16/19/83/203161983.db2.gz XSDGXOQTGRTRBA-GUBZILKMSA-N 1 2 242.344 0.033 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458328854 203161987 /nfs/dbraw/zinc/16/19/87/203161987.db2.gz XSDGXOQTGRTRBA-GUBZILKMSA-N 1 2 242.344 0.033 20 0 BCADLO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)C(=O)OC ZINC000567609917 326228569 /nfs/dbraw/zinc/22/85/69/326228569.db2.gz QIFOTQYIKFINMK-MNOVXSKESA-N 1 2 245.319 0.723 20 0 BCADLO CSC[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000567612999 326229164 /nfs/dbraw/zinc/22/91/64/326229164.db2.gz IIBYLXAUQNLRBN-RNFRBKRXSA-N 1 2 229.292 0.316 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)N(C)C2CC2)[C@H]1C ZINC000156239460 326224095 /nfs/dbraw/zinc/22/40/95/326224095.db2.gz FFAOBOGVMSGOID-UWVGGRQHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000619115573 369287785 /nfs/dbraw/zinc/28/77/85/369287785.db2.gz BLXQCBMWFJMRQR-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](O)C12CCC2 ZINC000619075025 369274520 /nfs/dbraw/zinc/27/45/20/369274520.db2.gz XMSGDYMPLCFESN-UWVGGRQHSA-N 1 2 235.287 0.303 20 0 BCADLO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)C(=O)OC ZINC000619183429 369302711 /nfs/dbraw/zinc/30/27/11/369302711.db2.gz JYLNZWRRIZWLAU-GHMZBOCLSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC2(CCC2)C1)[C@@H](C)O ZINC000459518145 203295133 /nfs/dbraw/zinc/29/51/33/203295133.db2.gz WYNSZIDHFRYKOI-PSASIEDQSA-N 1 2 227.304 0.831 20 0 BCADLO CC[C@](COC)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000459554311 203295570 /nfs/dbraw/zinc/29/55/70/203295570.db2.gz DMKPLGSQKGPPMW-CMPLNLGQSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cn[nH]c1 ZINC000459437716 203281391 /nfs/dbraw/zinc/28/13/91/203281391.db2.gz YTWUXELNPQFEKU-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cn[nH]c1 ZINC000459437716 203281393 /nfs/dbraw/zinc/28/13/93/203281393.db2.gz YTWUXELNPQFEKU-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO CC[C@H]([NH2+]CCc1cncc(C)n1)C(=O)OC ZINC000402639414 369389541 /nfs/dbraw/zinc/38/95/41/369389541.db2.gz DNLBGYBCRWCFTB-NSHDSACASA-N 1 2 237.303 0.869 20 0 BCADLO Cn1cc[nH+]c1CN1CC(OC(F)F)C1 ZINC000459626996 203321683 /nfs/dbraw/zinc/32/16/83/203321683.db2.gz JYFFUMYJXJISGO-UHFFFAOYSA-N 1 2 217.219 0.844 20 0 BCADLO COCC1(O)C[NH+](C/C=C/c2ccncc2)C1 ZINC000459643683 203328034 /nfs/dbraw/zinc/32/80/34/203328034.db2.gz VDLXQTPIWGMWLY-NSCUHMNNSA-N 1 2 234.299 0.788 20 0 BCADLO CCOC[C@@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511075 369453081 /nfs/dbraw/zinc/45/30/81/369453081.db2.gz BVOQSQMARZDIJL-JTQLQIEISA-N 1 2 241.291 0.420 20 0 BCADLO CCOC[C@@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511075 369453086 /nfs/dbraw/zinc/45/30/86/369453086.db2.gz BVOQSQMARZDIJL-JTQLQIEISA-N 1 2 241.291 0.420 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862016 369474984 /nfs/dbraw/zinc/47/49/84/369474984.db2.gz KGSUWZQXJCPKAQ-ZJUUUORDSA-N 1 2 213.325 0.276 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000619568638 369481068 /nfs/dbraw/zinc/48/10/68/369481068.db2.gz MGJAAOPDVDLCNY-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO CCC[C@@H](OC)C(=O)NCCc1c[nH+]cn1C ZINC000622503628 370967045 /nfs/dbraw/zinc/96/70/45/370967045.db2.gz HLQWOHYGMVYREL-LLVKDONJSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000619698455 369533971 /nfs/dbraw/zinc/53/39/71/369533971.db2.gz MRTHBYXSXIILNW-SSDOTTSWSA-N 1 2 203.249 0.962 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459781025 203367590 /nfs/dbraw/zinc/36/75/90/203367590.db2.gz GRIWUYNBFKEXES-SNVBAGLBSA-N 1 2 238.335 0.939 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157589033 326285460 /nfs/dbraw/zinc/28/54/60/326285460.db2.gz OAEUXWXFPDBQOP-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO C[C@@H](O)C1(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000620061166 369693714 /nfs/dbraw/zinc/69/37/14/369693714.db2.gz OJULUKVYAKCPKK-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000620061961 369694341 /nfs/dbraw/zinc/69/43/41/369694341.db2.gz ZZAJPCDKMVVEFP-UWVGGRQHSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000620061962 369694595 /nfs/dbraw/zinc/69/45/95/369694595.db2.gz ZZAJPCDKMVVEFP-VHSXEESVSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@H](O)C1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000620075342 369708718 /nfs/dbraw/zinc/70/87/18/369708718.db2.gz SFQMDDVSNXFFIU-VHSXEESVSA-N 1 2 237.303 0.864 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)CO ZINC000620454935 369884739 /nfs/dbraw/zinc/88/47/39/369884739.db2.gz FUWWSZRQELQINT-PWSUYJOCSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)CO)c1[nH+]ccn1C ZINC000620603809 369952113 /nfs/dbraw/zinc/95/21/13/369952113.db2.gz LODSAARQUGSWSF-MRVPVSSYSA-N 1 2 225.292 0.616 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)O)c1[nH+]ccn1C ZINC000620603667 369952118 /nfs/dbraw/zinc/95/21/18/369952118.db2.gz JYEOZLDSJFOWGS-SSDOTTSWSA-N 1 2 211.265 0.368 20 0 BCADLO Cc1noc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000620606461 369954483 /nfs/dbraw/zinc/95/44/83/369954483.db2.gz TYLVCDSGINAQGZ-LURJTMIESA-N 1 2 235.247 0.603 20 0 BCADLO C[C@H](NC(=O)[C@H](O)C1CCC1)c1[nH+]ccn1C ZINC000620612500 369958104 /nfs/dbraw/zinc/95/81/04/369958104.db2.gz WVRITCICQZGOBE-WCBMZHEXSA-N 1 2 237.303 0.758 20 0 BCADLO Cc1cn2ccc(NC(=O)[C@@H]3CC(=O)N3)cc2[nH+]1 ZINC000620647697 369972818 /nfs/dbraw/zinc/97/28/18/369972818.db2.gz IQHGADYAPRMMPP-VIFPVBQESA-N 1 2 244.254 0.470 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000620548028 369913311 /nfs/dbraw/zinc/91/33/11/369913311.db2.gz MJHSABYTLSCELV-SCZZXKLOSA-N 1 2 209.249 0.177 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000620592579 369945571 /nfs/dbraw/zinc/94/55/71/369945571.db2.gz OKGXAKAAHQBWFT-IUCAKERBSA-N 1 2 223.276 0.776 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000620594603 369946412 /nfs/dbraw/zinc/94/64/12/369946412.db2.gz GQINJGCIVNNCKE-RKDXNWHRSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)c1[nH+]ccn1C ZINC000620594103 369946842 /nfs/dbraw/zinc/94/68/42/369946842.db2.gz BMDYNUFBLQIDSQ-SSDOTTSWSA-N 1 2 220.232 0.899 20 0 BCADLO C[C@H](NC(=O)c1cn[nH]c1)c1[nH+]ccn1C ZINC000620597617 369948106 /nfs/dbraw/zinc/94/81/06/369948106.db2.gz XWIAXEDEPURHDY-ZETCQYMHSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1C[C@H](O)C1)n1cc[nH+]c1 ZINC000620865465 370015949 /nfs/dbraw/zinc/01/59/49/370015949.db2.gz FCBULXHIWXOZJN-GUBZILKMSA-N 1 2 223.276 0.474 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000620866551 370018152 /nfs/dbraw/zinc/01/81/52/370018152.db2.gz SCMGZDIEBADRBT-OPRDCNLKSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620871563 370023093 /nfs/dbraw/zinc/02/30/93/370023093.db2.gz WRGYMYKRIJTLFZ-OPRDCNLKSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000006908483 370061667 /nfs/dbraw/zinc/06/16/67/370061667.db2.gz FUFWOFSLTRNGNA-MRVPVSSYSA-N 1 2 222.248 0.214 20 0 BCADLO CCn1nccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000621118673 370114561 /nfs/dbraw/zinc/11/45/61/370114561.db2.gz CAKJVTRQGGDPGE-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO CCn1nccc1CNC(=O)Cc1[nH+]c[nH]c1C ZINC000621118673 370114566 /nfs/dbraw/zinc/11/45/66/370114566.db2.gz CAKJVTRQGGDPGE-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCOCCF ZINC000621092165 370101679 /nfs/dbraw/zinc/10/16/79/370101679.db2.gz FIUHGMRPWHAPOF-UHFFFAOYSA-N 1 2 229.255 0.065 20 0 BCADLO COCCCCC[NH+]1CCS(=O)CC1 ZINC000111691790 370172136 /nfs/dbraw/zinc/17/21/36/370172136.db2.gz RFJUJRFWYALOCT-UHFFFAOYSA-N 1 2 219.350 0.867 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621247161 370181473 /nfs/dbraw/zinc/18/14/73/370181473.db2.gz IRMBCYLQSWVWHI-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621247161 370181478 /nfs/dbraw/zinc/18/14/78/370181478.db2.gz IRMBCYLQSWVWHI-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO Cc1cccn2cc(CN3CCNC(=O)C3)[nH+]c12 ZINC000007487573 370147640 /nfs/dbraw/zinc/14/76/40/370147640.db2.gz NMVBDKSUKRUYQZ-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO CC12CC(C1)CN2C(=O)Cn1cc[nH+]c1 ZINC000621214310 370158311 /nfs/dbraw/zinc/15/83/11/370158311.db2.gz VCHHRZXXKFYXBX-UHFFFAOYSA-N 1 2 205.261 0.894 20 0 BCADLO Cn1cnnc1C[N@H+](CCCO)C1CC1 ZINC000308756380 370160954 /nfs/dbraw/zinc/16/09/54/370160954.db2.gz WJCQZVMTAMLVIP-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@@H+](CCCO)C1CC1 ZINC000308756380 370160960 /nfs/dbraw/zinc/16/09/60/370160960.db2.gz WJCQZVMTAMLVIP-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO C[C@H](CO)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621255950 370188522 /nfs/dbraw/zinc/18/85/22/370188522.db2.gz LXBXJUHWXMAOOD-LURJTMIESA-N 1 2 249.274 0.049 20 0 BCADLO CCn1ccnc1C[NH2+]CC(=O)NC(C)(C)C ZINC000112345574 370287785 /nfs/dbraw/zinc/28/77/85/370287785.db2.gz IDRLQRAOAATFAV-UHFFFAOYSA-N 1 2 238.335 0.907 20 0 BCADLO Cn1cc[nH+]c1Cn1nnnc1C(C)(C)C ZINC000158550362 326327664 /nfs/dbraw/zinc/32/76/64/326327664.db2.gz WRQQPUFGSDETIS-UHFFFAOYSA-N 1 2 220.280 0.752 20 0 BCADLO O=C(CO)NCC1CC[NH+](CC(F)F)CC1 ZINC000568221778 326328365 /nfs/dbraw/zinc/32/83/65/326328365.db2.gz BLFBWUAVGOPUDL-UHFFFAOYSA-N 1 2 236.262 0.072 20 0 BCADLO COC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000076657246 370338530 /nfs/dbraw/zinc/33/85/30/370338530.db2.gz SFQPNWLPNDURLU-UHFFFAOYSA-N 1 2 233.227 0.237 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000621724477 370477287 /nfs/dbraw/zinc/47/72/87/370477287.db2.gz KBHFQONHJWDNLN-KOLCDFICSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000621724477 370477288 /nfs/dbraw/zinc/47/72/88/370477288.db2.gz KBHFQONHJWDNLN-KOLCDFICSA-N 1 2 237.303 0.367 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448733 370443732 /nfs/dbraw/zinc/44/37/32/370443732.db2.gz KZPTUMRBLGHNJF-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448733 370443737 /nfs/dbraw/zinc/44/37/37/370443737.db2.gz KZPTUMRBLGHNJF-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[N@H+](Cc1nccnc1C)[C@@H]1CCNC1=O ZINC000621726349 370478535 /nfs/dbraw/zinc/47/85/35/370478535.db2.gz SSQWESHZCXEWMQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1nccnc1C)[C@@H]1CCNC1=O ZINC000621726349 370478539 /nfs/dbraw/zinc/47/85/39/370478539.db2.gz SSQWESHZCXEWMQ-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000621865773 370571797 /nfs/dbraw/zinc/57/17/97/370571797.db2.gz XDKFAMHEVMEMPU-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO C[C@@H](O)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621979291 370637824 /nfs/dbraw/zinc/63/78/24/370637824.db2.gz WMBMQMZYTDBRJY-SECBINFHSA-N 1 2 239.319 0.965 20 0 BCADLO CC(C)(C(=O)NCCCCCO)c1c[nH]c[nH+]1 ZINC000621981283 370639186 /nfs/dbraw/zinc/63/91/86/370639186.db2.gz KQNKVIQTANOVHD-UHFFFAOYSA-N 1 2 239.319 0.966 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC000621940010 370609946 /nfs/dbraw/zinc/60/99/46/370609946.db2.gz YIIANJDQKNJCBZ-RKDXNWHRSA-N 1 2 237.303 0.527 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@@H](C)O)c[nH+]1 ZINC000622667592 371047549 /nfs/dbraw/zinc/04/75/49/371047549.db2.gz MCYUGXXQBIUVIS-SECBINFHSA-N 1 2 208.261 0.695 20 0 BCADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)[nH]n1 ZINC000622685629 371061936 /nfs/dbraw/zinc/06/19/36/371061936.db2.gz BTJXPNBGICSOPF-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C2(O)CCCC2)c1 ZINC000622685912 371063669 /nfs/dbraw/zinc/06/36/69/371063669.db2.gz PSZKCGAAFKYQAF-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1ocnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686043 371064003 /nfs/dbraw/zinc/06/40/03/371064003.db2.gz XHDKRDHDVNHKJF-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000623842084 371124173 /nfs/dbraw/zinc/12/41/73/371124173.db2.gz DMUGFBTVBPMQNI-LLVKDONJSA-N 1 2 248.330 0.961 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CCC1)NC1CC1 ZINC000569219945 326395665 /nfs/dbraw/zinc/39/56/65/326395665.db2.gz AYNTVESCLBJJJF-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CCC1)NC1CC1 ZINC000569219945 326395667 /nfs/dbraw/zinc/39/56/67/326395667.db2.gz AYNTVESCLBJJJF-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCC[C@@H]1[NH2+][C@H]1CCCc2scnc21 ZINC000624010331 371247511 /nfs/dbraw/zinc/24/75/11/371247511.db2.gz MPCBJZLOHMIRDG-YUMQZZPRSA-N 1 2 237.328 0.999 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H](O)C[C@H](O)C1 ZINC000624013173 371248946 /nfs/dbraw/zinc/24/89/46/371248946.db2.gz VLFCNBTXXVKKNP-DTORHVGOSA-N 1 2 224.260 0.022 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000155980209 371331573 /nfs/dbraw/zinc/33/15/73/371331573.db2.gz QNLSIEDUJVFKDC-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000155980209 371331577 /nfs/dbraw/zinc/33/15/77/371331577.db2.gz QNLSIEDUJVFKDC-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C12CC(C1)C2 ZINC000624139984 371337147 /nfs/dbraw/zinc/33/71/47/371337147.db2.gz YZPSJMNBKFYJSW-ZBOXLXRLSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC12CC2 ZINC000624245448 371431116 /nfs/dbraw/zinc/43/11/16/371431116.db2.gz DPFHPBLKMCUYPD-ZJUUUORDSA-N 1 2 239.319 0.169 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC12CC2 ZINC000624245448 371431117 /nfs/dbraw/zinc/43/11/17/371431117.db2.gz DPFHPBLKMCUYPD-ZJUUUORDSA-N 1 2 239.319 0.169 20 0 BCADLO c1nc(N2CC3(C2)CCCO3)c2c([nH+]1)NCCO2 ZINC000624544133 371538043 /nfs/dbraw/zinc/53/80/43/371538043.db2.gz DMYSZWBFLZJNSB-UHFFFAOYSA-N 1 2 248.286 0.650 20 0 BCADLO c1nc2c(c(N3CC4(C3)CCCO4)[nH+]1)OCCN2 ZINC000624544133 371538050 /nfs/dbraw/zinc/53/80/50/371538050.db2.gz DMYSZWBFLZJNSB-UHFFFAOYSA-N 1 2 248.286 0.650 20 0 BCADLO Cn1ccc(C[NH2+]CC(=O)NC2CCCC2)n1 ZINC000096481291 371498440 /nfs/dbraw/zinc/49/84/40/371498440.db2.gz WYJZYVCWKFCLQP-UHFFFAOYSA-N 1 2 236.319 0.569 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)CO1 ZINC000627370838 371587744 /nfs/dbraw/zinc/58/77/44/371587744.db2.gz OAUJAUXIUJPTNM-BDAKNGLRSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)CO1 ZINC000627370838 371587745 /nfs/dbraw/zinc/58/77/45/371587745.db2.gz OAUJAUXIUJPTNM-BDAKNGLRSA-N 1 2 235.287 0.719 20 0 BCADLO Cc1nc(C(=O)N2CCc3[nH]c[nH+]c3C2)co1 ZINC000627371270 371589936 /nfs/dbraw/zinc/58/99/36/371589936.db2.gz ZUSDDWWVYJMOTC-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1nc(C(=O)N2CCc3[nH+]c[nH]c3C2)co1 ZINC000627371270 371589943 /nfs/dbraw/zinc/58/99/43/371589943.db2.gz ZUSDDWWVYJMOTC-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cnn1 ZINC000627371254 371589980 /nfs/dbraw/zinc/58/99/80/371589980.db2.gz ZOQVOSTXGSQVGP-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cnn1 ZINC000627371254 371589984 /nfs/dbraw/zinc/58/99/84/371589984.db2.gz ZOQVOSTXGSQVGP-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1nccnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627375590 371591062 /nfs/dbraw/zinc/59/10/62/371591062.db2.gz ZRNHTPXITNYDAX-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1nccnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627375590 371591069 /nfs/dbraw/zinc/59/10/69/371591069.db2.gz ZRNHTPXITNYDAX-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO O=C([C@H](O)C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373136 371592969 /nfs/dbraw/zinc/59/29/69/371592969.db2.gz IXZPYVGYVPWWGU-LLVKDONJSA-N 1 2 235.287 0.455 20 0 BCADLO O=C([C@H](O)C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373136 371592975 /nfs/dbraw/zinc/59/29/75/371592975.db2.gz IXZPYVGYVPWWGU-LLVKDONJSA-N 1 2 235.287 0.455 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOC1)CC2 ZINC000627611136 371779856 /nfs/dbraw/zinc/77/98/56/371779856.db2.gz LSHXLQUVBCDKKF-SNVBAGLBSA-N 1 2 235.287 0.570 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229538877 372161606 /nfs/dbraw/zinc/16/16/06/372161606.db2.gz CWNRJMZMAODPDX-UWVGGRQHSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229538877 372161613 /nfs/dbraw/zinc/16/16/13/372161613.db2.gz CWNRJMZMAODPDX-UWVGGRQHSA-N 1 2 243.303 0.211 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](O)C(F)F ZINC000631215950 372238415 /nfs/dbraw/zinc/23/84/15/372238415.db2.gz CPPMOTTYQHNRDW-MRVPVSSYSA-N 1 2 219.235 0.824 20 0 BCADLO O[C@@H](CC[NH2+]Cc1ccn[nH]1)C(F)F ZINC000631216413 372238781 /nfs/dbraw/zinc/23/87/81/372238781.db2.gz JNTOHZSZWLHJEM-ZETCQYMHSA-N 1 2 205.208 0.515 20 0 BCADLO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](O)C(F)(F)F ZINC000631237388 372255020 /nfs/dbraw/zinc/25/50/20/372255020.db2.gz UFQGROSVCSKKBF-VDTYLAMSSA-N 1 2 238.213 0.216 20 0 BCADLO Cc1cc(N[C@H](C)c2n[nH]c(=O)n2C)nc[nH+]1 ZINC000631335998 372300751 /nfs/dbraw/zinc/30/07/51/372300751.db2.gz JJPPWHFKTVNPTH-SSDOTTSWSA-N 1 2 234.263 0.792 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH+]=c1cc[nH]c2ccsc21 ZINC000631430219 372360858 /nfs/dbraw/zinc/36/08/58/372360858.db2.gz AWZNRRFWNQGVLA-VHSXEESVSA-N 1 2 236.296 0.890 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@]12CCC[C@H]1OCC2 ZINC000631414992 372348143 /nfs/dbraw/zinc/34/81/43/372348143.db2.gz YZSWLASQXADKIO-PWSUYJOCSA-N 1 2 235.287 0.985 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@]12CCC[C@H]1OCC2 ZINC000631414992 372348148 /nfs/dbraw/zinc/34/81/48/372348148.db2.gz YZSWLASQXADKIO-PWSUYJOCSA-N 1 2 235.287 0.985 20 0 BCADLO C[C@@H](CNC(=O)CCCCO)Cn1cc[nH+]c1 ZINC000631423478 372353652 /nfs/dbraw/zinc/35/36/52/372353652.db2.gz BOHZSCUSGYJOPO-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO CN(C(=O)C1([NH+]2CCOCC2)CC1)C1CCC1 ZINC000631528217 372411293 /nfs/dbraw/zinc/41/12/93/372411293.db2.gz UITRAKVCYOLPDA-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2COCC[C@H]2O)[nH+]1 ZINC000631529153 372411623 /nfs/dbraw/zinc/41/16/23/372411623.db2.gz IRULJJKXXDKVSD-NXEZZACHSA-N 1 2 248.286 0.828 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000632142427 372779418 /nfs/dbraw/zinc/77/94/18/372779418.db2.gz CGYQZIHBUVEDPV-MRVPVSSYSA-N 1 2 208.265 0.961 20 0 BCADLO O=C(COc1cc[nH+]cc1)NC1CCOCC1 ZINC000356088250 182004231 /nfs/dbraw/zinc/00/42/31/182004231.db2.gz DWHWPPPQPLKLTP-UHFFFAOYSA-N 1 2 236.271 0.756 20 0 BCADLO O=C(CSCC[NH+]1CCOCC1)N1CCC1 ZINC000342197525 182009190 /nfs/dbraw/zinc/00/91/90/182009190.db2.gz JMGRHCNGDIELIN-UHFFFAOYSA-N 1 2 244.360 0.284 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378306509 182020016 /nfs/dbraw/zinc/02/00/16/182020016.db2.gz FEVLRUGXHWYEIC-VHSXEESVSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378306509 182020019 /nfs/dbraw/zinc/02/00/19/182020019.db2.gz FEVLRUGXHWYEIC-VHSXEESVSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(C[C@@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000368189254 182020402 /nfs/dbraw/zinc/02/04/02/182020402.db2.gz HAAKZWAZOBCRTD-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO O=C(C[C@@H]1COCC[N@H+]1CCO)c1ccccc1 ZINC000119372626 182021917 /nfs/dbraw/zinc/02/19/17/182021917.db2.gz YSIYCKCHWQCXPI-CYBMUJFWSA-N 1 2 249.310 0.953 20 0 BCADLO O=C(C[C@@H]1COCC[N@@H+]1CCO)c1ccccc1 ZINC000119372626 182021919 /nfs/dbraw/zinc/02/19/19/182021919.db2.gz YSIYCKCHWQCXPI-CYBMUJFWSA-N 1 2 249.310 0.953 20 0 BCADLO CCOC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000632390633 372913367 /nfs/dbraw/zinc/91/33/67/372913367.db2.gz GBPXOEJZGYNNEA-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO O=C(C[C@H]1CCOC1)Nc1cc[nH+]cc1O ZINC000330794025 182029487 /nfs/dbraw/zinc/02/94/87/182029487.db2.gz VVJPZWRJFWEGLB-MRVPVSSYSA-N 1 2 222.244 0.574 20 0 BCADLO O=C(Cc1cc[nH]n1)NCCCn1cc[nH+]c1 ZINC000355370616 182034536 /nfs/dbraw/zinc/03/45/36/182034536.db2.gz NPRMHRMLTYGNNB-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000632575589 373014181 /nfs/dbraw/zinc/01/41/81/373014181.db2.gz VDCFZCVRACHDAC-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Cc1ccoc1)NCc1[nH]cc[nH+]1 ZINC000356083160 182056895 /nfs/dbraw/zinc/05/68/95/182056895.db2.gz ALIWXOIYEVKGKY-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NCCF ZINC000281924011 182059354 /nfs/dbraw/zinc/05/93/54/182059354.db2.gz WFWVPMFONKAMGD-UHFFFAOYSA-N 1 2 221.235 0.963 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCOC(F)(F)F ZINC000360465752 182071605 /nfs/dbraw/zinc/07/16/05/182071605.db2.gz FHVHCDOKFYTFAC-UHFFFAOYSA-N 1 2 237.181 0.536 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCCCO1 ZINC000336604982 182071616 /nfs/dbraw/zinc/07/16/16/182071616.db2.gz UFABHXCRZYMEHX-UHFFFAOYSA-N 1 2 209.249 0.827 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCOC(F)F ZINC000338280920 182071052 /nfs/dbraw/zinc/07/10/52/182071052.db2.gz DMTNNOZZWJGYIX-UHFFFAOYSA-N 1 2 233.218 0.629 20 0 BCADLO CCNC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632733716 373120674 /nfs/dbraw/zinc/12/06/74/373120674.db2.gz YQJJVYBTYSFINS-UHFFFAOYSA-N 1 2 210.281 0.937 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1CC(F)(F)C1 ZINC000360470685 182071853 /nfs/dbraw/zinc/07/18/53/182071853.db2.gz WELMEPWZKUGXBH-UHFFFAOYSA-N 1 2 215.203 0.797 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000633017688 373253345 /nfs/dbraw/zinc/25/33/45/373253345.db2.gz WQPONCPNMSLJNW-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC(C)(C)F ZINC000633032597 373256398 /nfs/dbraw/zinc/25/63/98/373256398.db2.gz AKYIZRODEWHIKK-UHFFFAOYSA-N 1 2 228.271 0.967 20 0 BCADLO CC[C@H](COC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633044558 373261072 /nfs/dbraw/zinc/26/10/72/373261072.db2.gz NEEXNIHBPUEWCF-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CS[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171755569 205520597 /nfs/dbraw/zinc/52/05/97/205520597.db2.gz BOVYNQGAAXJGAV-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO O=C(NC1CCC(O)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368487985 182102787 /nfs/dbraw/zinc/10/27/87/182102787.db2.gz XGHMYORYZSCMIM-HACHORDNSA-N 1 2 248.273 0.403 20 0 BCADLO O=C(NC1CCC(O)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368487984 182103609 /nfs/dbraw/zinc/10/36/09/182103609.db2.gz XGHMYORYZSCMIM-AMDVSUOASA-N 1 2 248.273 0.403 20 0 BCADLO CCOC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633180442 373327760 /nfs/dbraw/zinc/32/77/60/373327760.db2.gz WMPXAMYIVFSQCV-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1C(F)F ZINC000633237405 373389604 /nfs/dbraw/zinc/38/96/04/373389604.db2.gz WEDPRLSAKBPXMI-QMMMGPOBSA-N 1 2 229.230 0.829 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373742843 182125491 /nfs/dbraw/zinc/12/54/91/182125491.db2.gz SJYNGYQHXSLEIW-SSDOTTSWSA-N 1 2 229.230 0.827 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)O ZINC000633290852 373454769 /nfs/dbraw/zinc/45/47/69/373454769.db2.gz XVHXGVVZLODESK-MRVPVSSYSA-N 1 2 225.292 0.851 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333428902 182131651 /nfs/dbraw/zinc/13/16/51/182131651.db2.gz JGVKEKRDAYLLME-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633377724 373505546 /nfs/dbraw/zinc/50/55/46/373505546.db2.gz UHOJVAPEIJJOJT-KYZUINATSA-N 1 2 238.291 0.729 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C2CSC2)c1 ZINC000633393491 373520771 /nfs/dbraw/zinc/52/07/71/373520771.db2.gz PRKHBKNICYMGHA-UHFFFAOYSA-N 1 2 225.317 0.442 20 0 BCADLO O=C(NCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000361763507 182140104 /nfs/dbraw/zinc/14/01/04/182140104.db2.gz OOFLOOIQISBOHQ-SNVBAGLBSA-N 1 2 219.288 0.972 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CSC1 ZINC000633556179 373592101 /nfs/dbraw/zinc/59/21/01/373592101.db2.gz SWBPPTQMFQLSMM-VIFPVBQESA-N 1 2 237.328 0.677 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CSC1 ZINC000633600498 373620218 /nfs/dbraw/zinc/62/02/18/373620218.db2.gz BTAZRUTWXRLPRE-UHFFFAOYSA-N 1 2 211.290 0.731 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CSC1 ZINC000633600498 373620225 /nfs/dbraw/zinc/62/02/25/373620225.db2.gz BTAZRUTWXRLPRE-UHFFFAOYSA-N 1 2 211.290 0.731 20 0 BCADLO O=C(NCCCO)c1ccnc(-n2cc[nH+]c2)c1 ZINC000299041939 182172644 /nfs/dbraw/zinc/17/26/44/182172644.db2.gz RWYFWUMQCPSUSC-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@]12CCOC2 ZINC000364081161 182178390 /nfs/dbraw/zinc/17/83/90/182178390.db2.gz LMOOPZUMZNFFRP-DGCLKSJQSA-N 1 2 249.314 0.816 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000171288480 182179340 /nfs/dbraw/zinc/17/93/40/182179340.db2.gz JLTRIEYREAJVRG-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO O=C(NCCF)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366475497 182180691 /nfs/dbraw/zinc/18/06/91/182180691.db2.gz QEWZQJBTDFPLBL-JTQLQIEISA-N 1 2 245.298 0.118 20 0 BCADLO O=C(NCCF)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366475497 182180693 /nfs/dbraw/zinc/18/06/93/182180693.db2.gz QEWZQJBTDFPLBL-JTQLQIEISA-N 1 2 245.298 0.118 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)Nc1ccncn1 ZINC000190704641 182176804 /nfs/dbraw/zinc/17/68/04/182176804.db2.gz PUNKYKUZKYIGHZ-UHFFFAOYSA-N 1 2 246.274 0.885 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@@H](O)C(F)F ZINC000633997478 373881967 /nfs/dbraw/zinc/88/19/67/373881967.db2.gz FHSPZNCDGDLBLV-SSDOTTSWSA-N 1 2 233.218 0.015 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cn[nH]n1 ZINC000357723761 182189232 /nfs/dbraw/zinc/18/92/32/182189232.db2.gz OGMVIQHQBUWBLR-UHFFFAOYSA-N 1 2 232.247 0.042 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnn[nH]1 ZINC000357723761 182189234 /nfs/dbraw/zinc/18/92/34/182189234.db2.gz OGMVIQHQBUWBLR-UHFFFAOYSA-N 1 2 232.247 0.042 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)O1 ZINC000634020339 373901668 /nfs/dbraw/zinc/90/16/68/373901668.db2.gz MPZVYIGEPVAQHF-GMTAPVOTSA-N 1 2 237.303 0.955 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCCn1cccn1 ZINC000114907716 182215516 /nfs/dbraw/zinc/21/55/16/182215516.db2.gz DQUGVJCGTOGVNM-UHFFFAOYSA-N 1 2 248.290 0.079 20 0 BCADLO CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)COC1 ZINC000634190976 374004289 /nfs/dbraw/zinc/00/42/89/374004289.db2.gz TUOYMUDZXHKLGU-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)COC1 ZINC000634191059 374004765 /nfs/dbraw/zinc/00/47/65/374004765.db2.gz DPVJLGFTSVWGIH-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)COC1 ZINC000634191059 374004771 /nfs/dbraw/zinc/00/47/71/374004771.db2.gz DPVJLGFTSVWGIH-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1ccccn1 ZINC000049370924 182215558 /nfs/dbraw/zinc/21/55/58/182215558.db2.gz IRLBUZKTKAROEG-UHFFFAOYSA-N 1 2 245.286 0.778 20 0 BCADLO CC[C@@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000634199080 374016937 /nfs/dbraw/zinc/01/69/37/374016937.db2.gz COMNCADZAQYPAK-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1n[nH]c2c1CCC2 ZINC000329839443 182211866 /nfs/dbraw/zinc/21/18/66/182211866.db2.gz JEEBHFIYAGHDCG-UHFFFAOYSA-N 1 2 245.286 0.594 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnccn1 ZINC000123083393 182211967 /nfs/dbraw/zinc/21/19/67/182211967.db2.gz QKFMYWYNXDQOCX-UHFFFAOYSA-N 1 2 217.232 0.172 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@]12CCOC2 ZINC000359784203 182212658 /nfs/dbraw/zinc/21/26/58/182212658.db2.gz AMIZYQHJNPZOSL-SKDRFNHKSA-N 1 2 235.287 0.495 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2COC[C@@H]2O)cs1 ZINC000041010743 374046029 /nfs/dbraw/zinc/04/60/29/374046029.db2.gz NKIPHUSUKXZHFN-BDAKNGLRSA-N 1 2 214.290 0.301 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnc[nH]1 ZINC000338004490 182217461 /nfs/dbraw/zinc/21/74/61/182217461.db2.gz IBBQBWBGBMTVDO-UHFFFAOYSA-N 1 2 205.221 0.036 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C(C)(C)O ZINC000634480185 374269967 /nfs/dbraw/zinc/26/99/67/374269967.db2.gz CSEDLBASMJIOQC-UHFFFAOYSA-N 1 2 239.319 0.926 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C(C)(C)O ZINC000634480185 374269977 /nfs/dbraw/zinc/26/99/77/374269977.db2.gz CSEDLBASMJIOQC-UHFFFAOYSA-N 1 2 239.319 0.926 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634504067 374278393 /nfs/dbraw/zinc/27/83/93/374278393.db2.gz AYLGTGSCLSDVIE-RNFRBKRXSA-N 1 2 233.193 0.950 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@H]1C(F)F ZINC000338175431 182273989 /nfs/dbraw/zinc/27/39/89/182273989.db2.gz FDOGWOOIWDFDRA-RITPCOANSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1n[nH]c2c1CCC2 ZINC000114338737 182274270 /nfs/dbraw/zinc/27/42/70/182274270.db2.gz BZZCXGMIWREOOL-UHFFFAOYSA-N 1 2 231.259 0.552 20 0 BCADLO Cc1nc(C[NH2+]C2(C(N)=O)CC2)cs1 ZINC000183828128 206011129 /nfs/dbraw/zinc/01/11/29/206011129.db2.gz BQNYUADIJNFPOQ-UHFFFAOYSA-N 1 2 211.290 0.559 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H](O)C1CCCCC1 ZINC000331250571 182269839 /nfs/dbraw/zinc/26/98/39/182269839.db2.gz OOUTTXOMZCTLJL-LLVKDONJSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H](O)C1CCCCC1 ZINC000331250571 182269842 /nfs/dbraw/zinc/26/98/42/182269842.db2.gz OOUTTXOMZCTLJL-LLVKDONJSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C(F)F ZINC000338199096 182269885 /nfs/dbraw/zinc/26/98/85/182269885.db2.gz VGGSZFPCTMOCQM-RNFRBKRXSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C(F)F ZINC000338199096 182269888 /nfs/dbraw/zinc/26/98/88/182269888.db2.gz VGGSZFPCTMOCQM-RNFRBKRXSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2c1CCCC2 ZINC000333100044 182270660 /nfs/dbraw/zinc/27/06/60/182270660.db2.gz PTXCXUWMKNJYLW-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2c1CCCC2 ZINC000333100044 182270663 /nfs/dbraw/zinc/27/06/63/182270663.db2.gz PTXCXUWMKNJYLW-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCSCC1)[C@@H](C)O ZINC000191024066 206016426 /nfs/dbraw/zinc/01/64/26/206016426.db2.gz UUMWTEQIVXUKKI-APPZFPTMSA-N 1 2 233.333 0.394 20 0 BCADLO O=C(NOCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000297501600 182282316 /nfs/dbraw/zinc/28/23/16/182282316.db2.gz VHACKXOAWYBGHV-UHFFFAOYSA-N 1 2 236.275 0.750 20 0 BCADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)C[C@H]1F ZINC000424519199 206042149 /nfs/dbraw/zinc/04/21/49/206042149.db2.gz AIGQZPSCTRMKAO-KOLCDFICSA-N 1 2 230.283 0.183 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@@H](C)OC ZINC000194422643 206091817 /nfs/dbraw/zinc/09/18/17/206091817.db2.gz OIYABKJUTVOPHQ-SSDOTTSWSA-N 1 2 221.264 0.903 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000451588886 206108544 /nfs/dbraw/zinc/10/85/44/206108544.db2.gz SJYMYOQXCZZXLT-LPEHRKFASA-N 1 2 243.303 0.869 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCCC1 ZINC000334214004 182343047 /nfs/dbraw/zinc/34/30/47/182343047.db2.gz BIKZQSGLPMOFGX-VIFPVBQESA-N 1 2 249.314 0.688 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(O)CCCC1 ZINC000334214004 182343049 /nfs/dbraw/zinc/34/30/49/182343049.db2.gz BIKZQSGLPMOFGX-VIFPVBQESA-N 1 2 249.314 0.688 20 0 BCADLO O=C(Nc1ccc(F)cn1)[C@H]1COCC[NH2+]1 ZINC000083874112 182357749 /nfs/dbraw/zinc/35/77/49/182357749.db2.gz MIAOOAQSZOTNDS-MRVPVSSYSA-N 1 2 225.223 0.148 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)C1CC[NH2+]CC1 ZINC000082280654 182362520 /nfs/dbraw/zinc/36/25/20/182362520.db2.gz LMOCORMDWYMXBS-UHFFFAOYSA-N 1 2 245.286 0.896 20 0 BCADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1COCCO1 ZINC000266115255 182375124 /nfs/dbraw/zinc/37/51/24/182375124.db2.gz PVOGSKSMSQDYED-SECBINFHSA-N 1 2 247.254 0.688 20 0 BCADLO O=C(Nc1cccc(F)c1F)[C@H]1COCC[NH2+]1 ZINC000088371297 182370361 /nfs/dbraw/zinc/37/03/61/182370361.db2.gz MSOVCDULQKCANF-SECBINFHSA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1COCCO1 ZINC000295037289 182384792 /nfs/dbraw/zinc/38/47/92/182384792.db2.gz YABAPEYRQSLXMB-JTQLQIEISA-N 1 2 247.254 0.688 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000048335948 170214957 /nfs/dbraw/zinc/21/49/57/170214957.db2.gz FQJADAQICGILSL-QMMMGPOBSA-N 1 2 217.265 0.290 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000048335948 170214959 /nfs/dbraw/zinc/21/49/59/170214959.db2.gz FQJADAQICGILSL-QMMMGPOBSA-N 1 2 217.265 0.290 20 0 BCADLO O=S1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000111224025 182917265 /nfs/dbraw/zinc/91/72/65/182917265.db2.gz XGTDZSZOMBSTGX-SECBINFHSA-N 1 2 203.307 0.230 20 0 BCADLO O=c1nc([C@@H]2CCC[N@H+](Cc3ccon3)C2)[nH][nH]1 ZINC000289375521 183010190 /nfs/dbraw/zinc/01/01/90/183010190.db2.gz IRFFAJAEDRIZRK-MRVPVSSYSA-N 1 2 249.274 0.466 20 0 BCADLO O=c1nc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)[nH][nH]1 ZINC000289375521 183010192 /nfs/dbraw/zinc/01/01/92/183010192.db2.gz IRFFAJAEDRIZRK-MRVPVSSYSA-N 1 2 249.274 0.466 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329890364 183024400 /nfs/dbraw/zinc/02/44/00/183024400.db2.gz GDLRKCYZCSGOFX-ZYHUDNBSSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329890364 183024404 /nfs/dbraw/zinc/02/44/04/183024404.db2.gz GDLRKCYZCSGOFX-ZYHUDNBSSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328617860 183025197 /nfs/dbraw/zinc/02/51/97/183025197.db2.gz UOXYZQKWJMJMNL-BDAKNGLRSA-N 1 2 238.291 0.019 20 0 BCADLO O=C1NC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328617860 183025199 /nfs/dbraw/zinc/02/51/99/183025199.db2.gz UOXYZQKWJMJMNL-BDAKNGLRSA-N 1 2 238.291 0.019 20 0 BCADLO OCC(F)(F)CN[C@H]1CCn2cc[nH+]c21 ZINC000293882123 183034648 /nfs/dbraw/zinc/03/46/48/183034648.db2.gz FSJZWJPYBYCGIX-ZETCQYMHSA-N 1 2 217.219 0.545 20 0 BCADLO OCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375373431 183055502 /nfs/dbraw/zinc/05/55/02/183055502.db2.gz MGXLSWGKVRVCIF-UHFFFAOYSA-N 1 2 225.263 0.711 20 0 BCADLO OCC[N@@H+](Cc1csnn1)CC1CC1 ZINC000128348659 183073011 /nfs/dbraw/zinc/07/30/11/183073011.db2.gz CDFFRQVUSSQLME-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO OCC[N@H+](Cc1csnn1)CC1CC1 ZINC000128348659 183073012 /nfs/dbraw/zinc/07/30/12/183073012.db2.gz CDFFRQVUSSQLME-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO OCC[N@@H+]1CCC=C(Br)C1 ZINC000281534932 183073118 /nfs/dbraw/zinc/07/31/18/183073118.db2.gz AOQAXNPOCUEZTM-UHFFFAOYSA-N 1 2 206.083 0.963 20 0 BCADLO OCC[N@H+]1CCC=C(Br)C1 ZINC000281534932 183073120 /nfs/dbraw/zinc/07/31/20/183073120.db2.gz AOQAXNPOCUEZTM-UHFFFAOYSA-N 1 2 206.083 0.963 20 0 BCADLO OCCOCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353283761 183083955 /nfs/dbraw/zinc/08/39/55/183083955.db2.gz RNZWWEDQQIIDPA-SECBINFHSA-N 1 2 239.262 0.351 20 0 BCADLO OCCOCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353283761 183083957 /nfs/dbraw/zinc/08/39/57/183083957.db2.gz RNZWWEDQQIIDPA-SECBINFHSA-N 1 2 239.262 0.351 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1cc[nH]n1 ZINC000355075229 183098724 /nfs/dbraw/zinc/09/87/24/183098724.db2.gz APKMJQYANXZNBM-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1cc[nH]n1 ZINC000355075229 183098727 /nfs/dbraw/zinc/09/87/27/183098727.db2.gz APKMJQYANXZNBM-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OC[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000275899820 183111379 /nfs/dbraw/zinc/11/13/79/183111379.db2.gz ZHVCREKJXSFUBQ-QMMMGPOBSA-N 1 2 219.244 0.395 20 0 BCADLO OC[C@@]1(F)CCC[N@H+](Cc2ccno2)C1 ZINC000287090972 183133721 /nfs/dbraw/zinc/13/37/21/183133721.db2.gz VWLMGHQCPLUDOQ-SNVBAGLBSA-N 1 2 214.240 0.971 20 0 BCADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccno2)C1 ZINC000287090972 183133726 /nfs/dbraw/zinc/13/37/26/183133726.db2.gz VWLMGHQCPLUDOQ-SNVBAGLBSA-N 1 2 214.240 0.971 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2cncnc2)C1 ZINC000338997559 183133907 /nfs/dbraw/zinc/13/39/07/183133907.db2.gz FDSYNBUMRRZDGT-SNVBAGLBSA-N 1 2 211.240 0.383 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2cncnc2)C1 ZINC000338997559 183133910 /nfs/dbraw/zinc/13/39/10/183133910.db2.gz FDSYNBUMRRZDGT-SNVBAGLBSA-N 1 2 211.240 0.383 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2ccno2)C1 ZINC000334359182 183134843 /nfs/dbraw/zinc/13/48/43/183134843.db2.gz VMKIAAANUZURIO-SECBINFHSA-N 1 2 200.213 0.581 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2ccno2)C1 ZINC000334359182 183134844 /nfs/dbraw/zinc/13/48/44/183134844.db2.gz VMKIAAANUZURIO-SECBINFHSA-N 1 2 200.213 0.581 20 0 BCADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1ncc[nH]1 ZINC000336733183 183135993 /nfs/dbraw/zinc/13/59/93/183135993.db2.gz MEIRXEOFPAWBJT-LURJTMIESA-N 1 2 223.198 0.813 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000086831569 183154806 /nfs/dbraw/zinc/15/48/06/183154806.db2.gz BVXGFSOXXKWQQK-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000086831569 183154807 /nfs/dbraw/zinc/15/48/07/183154807.db2.gz BVXGFSOXXKWQQK-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000271731664 183155678 /nfs/dbraw/zinc/15/56/78/183155678.db2.gz NGPVRDKWDKGNBY-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@H]1C[C@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000363776023 183156466 /nfs/dbraw/zinc/15/64/66/183156466.db2.gz KTSRMGABFGOMBP-BDAKNGLRSA-N 1 2 233.271 0.495 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2cccnc2)C1 ZINC000336381252 183158685 /nfs/dbraw/zinc/15/86/85/183158685.db2.gz RASAWFQILJJOCY-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2cccnc2)C1 ZINC000336381252 183158686 /nfs/dbraw/zinc/15/86/86/183158686.db2.gz RASAWFQILJJOCY-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000121839616 183178096 /nfs/dbraw/zinc/17/80/96/183178096.db2.gz ZJMRHGULQZJKHD-QMMMGPOBSA-N 1 2 235.209 0.691 20 0 BCADLO O[C@@H](C[N@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000121839616 183178097 /nfs/dbraw/zinc/17/80/97/183178097.db2.gz ZJMRHGULQZJKHD-QMMMGPOBSA-N 1 2 235.209 0.691 20 0 BCADLO OCc1ccc(NCc2[nH]cc[nH+]2)nc1 ZINC000336736310 183166127 /nfs/dbraw/zinc/16/61/27/183166127.db2.gz PHPXDRRZTSPXMP-UHFFFAOYSA-N 1 2 204.233 0.909 20 0 BCADLO OCc1ccncc1NCc1[nH]cc[nH+]1 ZINC000125160832 183168977 /nfs/dbraw/zinc/16/89/77/183168977.db2.gz VPIMFPISBBNAMI-UHFFFAOYSA-N 1 2 204.233 0.909 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000096585140 183199452 /nfs/dbraw/zinc/19/94/52/183199452.db2.gz NPUITPOOJRQNEZ-SECBINFHSA-N 1 2 223.301 0.962 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000096585140 183199455 /nfs/dbraw/zinc/19/94/55/183199455.db2.gz NPUITPOOJRQNEZ-SECBINFHSA-N 1 2 223.301 0.962 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CC12CC2 ZINC000368797049 183206147 /nfs/dbraw/zinc/20/61/47/183206147.db2.gz ASSVMKAXUDJPCM-SECBINFHSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC12CC2 ZINC000368797049 183206150 /nfs/dbraw/zinc/20/61/50/183206150.db2.gz ASSVMKAXUDJPCM-SECBINFHSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353166905 183222241 /nfs/dbraw/zinc/22/22/41/183222241.db2.gz DUYBDRLMQIZAHP-NXEZZACHSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353166905 183222243 /nfs/dbraw/zinc/22/22/43/183222243.db2.gz DUYBDRLMQIZAHP-NXEZZACHSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000368634092 183222327 /nfs/dbraw/zinc/22/23/27/183222327.db2.gz COPQPUDHOOLWHU-BIIVOSGPSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000368634092 183222328 /nfs/dbraw/zinc/22/23/28/183222328.db2.gz COPQPUDHOOLWHU-BIIVOSGPSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](C[NH2+][C@H]1CCn2ccnc21)C(F)(F)F ZINC000294055669 183225118 /nfs/dbraw/zinc/22/51/18/183225118.db2.gz JRFBLZSTEVTXRW-NKWVEPMBSA-N 1 2 235.209 0.841 20 0 BCADLO O[C@@H]1COC[C@H]1[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000361322854 183209381 /nfs/dbraw/zinc/20/93/81/183209381.db2.gz APQZOSLCLXDDNU-FOGDFJRCSA-N 1 2 239.271 0.413 20 0 BCADLO O[C@@H]1COC[C@H]1[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000361322854 183209383 /nfs/dbraw/zinc/20/93/83/183209383.db2.gz APQZOSLCLXDDNU-FOGDFJRCSA-N 1 2 239.271 0.413 20 0 BCADLO CCC[N@H+](CC(=O)NC)[C@H](C)C(=O)OCC ZINC000043638802 169096051 /nfs/dbraw/zinc/09/60/51/169096051.db2.gz XFRKMDCLTUUAJE-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCC[N@@H+](CC(=O)NC)[C@H](C)C(=O)OCC ZINC000043638802 169096053 /nfs/dbraw/zinc/09/60/53/169096053.db2.gz XFRKMDCLTUUAJE-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO O[C@@]1(C2CC2)CC[N@H+](Cc2csnn2)C1 ZINC000365939162 183216547 /nfs/dbraw/zinc/21/65/47/183216547.db2.gz ZXBPUEZRIKFQFU-JTQLQIEISA-N 1 2 225.317 0.885 20 0 BCADLO O[C@@]1(C2CC2)CC[N@@H+](Cc2csnn2)C1 ZINC000365939162 183216549 /nfs/dbraw/zinc/21/65/49/183216549.db2.gz ZXBPUEZRIKFQFU-JTQLQIEISA-N 1 2 225.317 0.885 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1c(C)noc1C ZINC000339707031 169108683 /nfs/dbraw/zinc/10/86/83/169108683.db2.gz UGCOASSRDBRWNQ-UHFFFAOYSA-N 1 2 225.292 0.989 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1c(C)noc1C ZINC000339707031 169108686 /nfs/dbraw/zinc/10/86/86/169108686.db2.gz UGCOASSRDBRWNQ-UHFFFAOYSA-N 1 2 225.292 0.989 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000353596410 169111221 /nfs/dbraw/zinc/11/12/21/169111221.db2.gz QSNFSLZNTFCVHR-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000353596410 169111222 /nfs/dbraw/zinc/11/12/22/169111222.db2.gz QSNFSLZNTFCVHR-UHFFFAOYSA-N 1 2 222.292 0.482 20 0 BCADLO O[C@H]1C[NH+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000236573311 183242741 /nfs/dbraw/zinc/24/27/41/183242741.db2.gz KDMBJRJMDPQSQZ-PAABYIGWSA-N 1 2 212.076 0.343 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1O ZINC000086331910 183243118 /nfs/dbraw/zinc/24/31/18/183243118.db2.gz KIBNQWGNSYQENS-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1O ZINC000086331910 183243119 /nfs/dbraw/zinc/24/31/19/183243119.db2.gz KIBNQWGNSYQENS-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@H]1C[NH+](Cc2cccc(F)c2F)C[C@@H]1O ZINC000236594034 183243173 /nfs/dbraw/zinc/24/31/73/183243173.db2.gz MZSGBTHUZNLGAT-UWVGGRQHSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@H]1C[N@H+](Cc2ncccn2)CC12CC2 ZINC000361752287 183243188 /nfs/dbraw/zinc/24/31/88/183243188.db2.gz WDRLGYPRLOYJEW-VIFPVBQESA-N 1 2 205.261 0.433 20 0 BCADLO O[C@H]1C[N@@H+](Cc2ncccn2)CC12CC2 ZINC000361752287 183243189 /nfs/dbraw/zinc/24/31/89/183243189.db2.gz WDRLGYPRLOYJEW-VIFPVBQESA-N 1 2 205.261 0.433 20 0 BCADLO O[C@H]1C[N@H+](Cc2csnn2)CC12CC2 ZINC000373517099 183243304 /nfs/dbraw/zinc/24/33/04/183243304.db2.gz SPZWZAQWCSSCCJ-QMMMGPOBSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@H]1C[N@@H+](Cc2csnn2)CC12CC2 ZINC000373517099 183243308 /nfs/dbraw/zinc/24/33/08/183243308.db2.gz SPZWZAQWCSSCCJ-QMMMGPOBSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000270003170 183251270 /nfs/dbraw/zinc/25/12/70/183251270.db2.gz RZDPLQWYKAPLTP-LBPRGKRZSA-N 1 2 235.287 0.917 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000306182239 183235417 /nfs/dbraw/zinc/23/54/17/183235417.db2.gz WYSOZTUADCNVDP-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000306182239 183235418 /nfs/dbraw/zinc/23/54/18/183235418.db2.gz WYSOZTUADCNVDP-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO Oc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000294650334 183289223 /nfs/dbraw/zinc/28/92/23/183289223.db2.gz KTBKZYHMVQONRS-AOOOYVTPSA-N 1 2 243.690 0.583 20 0 BCADLO Oc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000294650334 183289225 /nfs/dbraw/zinc/28/92/25/183289225.db2.gz KTBKZYHMVQONRS-AOOOYVTPSA-N 1 2 243.690 0.583 20 0 BCADLO CCC[N@H+](CCn1cccn1)CC(=O)OC ZINC000050065718 169170555 /nfs/dbraw/zinc/17/05/55/169170555.db2.gz FHKMLPYMNDLXAF-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCC[N@@H+](CCn1cccn1)CC(=O)OC ZINC000050065718 169170556 /nfs/dbraw/zinc/17/05/56/169170556.db2.gz FHKMLPYMNDLXAF-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCC[N@H+](Cc1nnn(C)n1)CC(C)(C)O ZINC000336667766 169180622 /nfs/dbraw/zinc/18/06/22/169180622.db2.gz NMITWBPITBYPAV-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO CCC[N@@H+](Cc1nnn(C)n1)CC(C)(C)O ZINC000336667766 169180624 /nfs/dbraw/zinc/18/06/24/169180624.db2.gz NMITWBPITBYPAV-UHFFFAOYSA-N 1 2 227.312 0.193 20 0 BCADLO c1cc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)no1 ZINC000333161049 183330277 /nfs/dbraw/zinc/33/02/77/183330277.db2.gz IIUQFSQMAWKPMB-VIFPVBQESA-N 1 2 247.258 0.397 20 0 BCADLO O=c1[nH]nc(CN2CC[N@@H+]3CCCC[C@H]3C2)[nH]1 ZINC000329272930 183307605 /nfs/dbraw/zinc/30/76/05/183307605.db2.gz IAENHHGHDJPRGX-VIFPVBQESA-N 1 2 237.307 0.180 20 0 BCADLO O=c1[nH]nc(CN2CC[N@H+]3CCCC[C@H]3C2)[nH]1 ZINC000329272930 183307608 /nfs/dbraw/zinc/30/76/08/183307608.db2.gz IAENHHGHDJPRGX-VIFPVBQESA-N 1 2 237.307 0.180 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCO[C@H]2C2CC2)[nH]1 ZINC000328616733 183307647 /nfs/dbraw/zinc/30/76/47/183307647.db2.gz SUEJHTFNLWTVLV-CBAPKCEASA-N 1 2 224.264 0.167 20 0 BCADLO CCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267419668 169205050 /nfs/dbraw/zinc/20/50/50/169205050.db2.gz WDKHAERXBQAPPA-UHFFFAOYSA-N 1 2 222.292 0.479 20 0 BCADLO CCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267419668 169205051 /nfs/dbraw/zinc/20/50/51/169205051.db2.gz WDKHAERXBQAPPA-UHFFFAOYSA-N 1 2 222.292 0.479 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363187881 169222823 /nfs/dbraw/zinc/22/28/23/169222823.db2.gz FNCPKPXQFYUAGO-MNOVXSKESA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363187881 169222825 /nfs/dbraw/zinc/22/28/25/169222825.db2.gz FNCPKPXQFYUAGO-MNOVXSKESA-N 1 2 226.320 0.766 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186331243 169222968 /nfs/dbraw/zinc/22/29/68/169222968.db2.gz ILDJBVFSNNUWNE-GFCCVEGCSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186331243 169222969 /nfs/dbraw/zinc/22/29/69/169222969.db2.gz ILDJBVFSNNUWNE-GFCCVEGCSA-N 1 2 242.319 0.540 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cc(C)on1 ZINC000044296751 169227321 /nfs/dbraw/zinc/22/73/21/169227321.db2.gz IJKOUXNJUXTWMH-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO c1cc(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)n[nH]1 ZINC000106379584 183349880 /nfs/dbraw/zinc/34/98/80/183349880.db2.gz OZRNRTCPAMCLNK-GFCCVEGCSA-N 1 2 236.319 0.363 20 0 BCADLO c1cc(CNC[C@@H]2C[N@H+](C3CC3)CCO2)n[nH]1 ZINC000106379584 183349882 /nfs/dbraw/zinc/34/98/82/183349882.db2.gz OZRNRTCPAMCLNK-GFCCVEGCSA-N 1 2 236.319 0.363 20 0 BCADLO CCCNC(=O)CN(C)Cc1[nH+]ccn1C ZINC000072952861 169219056 /nfs/dbraw/zinc/21/90/56/169219056.db2.gz HCQBENYFIBMVFJ-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357304178 169222598 /nfs/dbraw/zinc/22/25/98/169222598.db2.gz LGPUESQPRWUUNA-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357304178 169222600 /nfs/dbraw/zinc/22/26/00/169222600.db2.gz LGPUESQPRWUUNA-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105066449 169238139 /nfs/dbraw/zinc/23/81/39/169238139.db2.gz QHLFNLMUWDIVQS-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022386 169239060 /nfs/dbraw/zinc/23/90/60/169239060.db2.gz PYEOQAFXVAUATG-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO CCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022386 169239062 /nfs/dbraw/zinc/23/90/62/169239062.db2.gz PYEOQAFXVAUATG-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668908 169240925 /nfs/dbraw/zinc/24/09/25/169240925.db2.gz VUIKYRVLGWADMK-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668908 169240927 /nfs/dbraw/zinc/24/09/27/169240927.db2.gz VUIKYRVLGWADMK-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622171 169245886 /nfs/dbraw/zinc/24/58/86/169245886.db2.gz LGLFVGXXWZXNAE-TUAOUCFPSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622171 169245888 /nfs/dbraw/zinc/24/58/88/169245888.db2.gz LGLFVGXXWZXNAE-TUAOUCFPSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000247071586 169246475 /nfs/dbraw/zinc/24/64/75/169246475.db2.gz WPBICYISNUFQHU-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000247071586 169246477 /nfs/dbraw/zinc/24/64/77/169246477.db2.gz WPBICYISNUFQHU-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000371338600 169249868 /nfs/dbraw/zinc/24/98/68/169249868.db2.gz FLZLONHMQROYFA-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000371338600 169249870 /nfs/dbraw/zinc/24/98/70/169249870.db2.gz FLZLONHMQROYFA-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCCOCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374665477 169304368 /nfs/dbraw/zinc/30/43/68/169304368.db2.gz VGBVTJMTCXANQI-UHFFFAOYSA-N 1 2 237.303 0.960 20 0 BCADLO CCCOCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355077093 169305193 /nfs/dbraw/zinc/30/51/93/169305193.db2.gz DRXUQYPNIJGDMC-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCOCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355077093 169305194 /nfs/dbraw/zinc/30/51/94/169305194.db2.gz DRXUQYPNIJGDMC-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCOCC(=O)NCc1[nH]c[nH+]c1C ZINC000267279853 169305900 /nfs/dbraw/zinc/30/59/00/169305900.db2.gz XJKQDPYEHMOKIE-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO CCC[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000035187835 169349606 /nfs/dbraw/zinc/34/96/06/169349606.db2.gz LGGBPXMZSIVQSQ-LLVKDONJSA-N 1 2 228.336 0.559 20 0 BCADLO CCc1nnc(C[N@H+](CCO)CCCO)s1 ZINC000680052595 487528379 /nfs/dbraw/zinc/52/83/79/487528379.db2.gz GAMXUWNWMIHRAW-UHFFFAOYSA-N 1 2 245.348 0.277 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)CCCO)s1 ZINC000680052595 487528383 /nfs/dbraw/zinc/52/83/83/487528383.db2.gz GAMXUWNWMIHRAW-UHFFFAOYSA-N 1 2 245.348 0.277 20 0 BCADLO O=C([C@H]1CCCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000522258009 259624129 /nfs/dbraw/zinc/62/41/29/259624129.db2.gz OPTMQRYFQZFENW-JTQLQIEISA-N 1 2 235.287 0.693 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267337 259627499 /nfs/dbraw/zinc/62/74/99/259627499.db2.gz XICAXMGVSODTSF-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267337 259627500 /nfs/dbraw/zinc/62/75/00/259627500.db2.gz XICAXMGVSODTSF-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CCc1nnc(C[NH+]2CCC(C)(O)CC2)[nH]1 ZINC000184593999 134364024 /nfs/dbraw/zinc/36/40/24/134364024.db2.gz RHCJPRKTYGVPMO-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO Cc1cc(N2CC[C@@H](C)[C@@H]2CO)nc[nH+]1 ZINC000227171664 134374568 /nfs/dbraw/zinc/37/45/68/134374568.db2.gz FGYAKNRPKFGGDA-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000185241695 134375533 /nfs/dbraw/zinc/37/55/33/134375533.db2.gz DYCBTYYSRJQUDT-QMMMGPOBSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000185241695 134375534 /nfs/dbraw/zinc/37/55/34/134375534.db2.gz DYCBTYYSRJQUDT-QMMMGPOBSA-N 1 2 226.280 0.092 20 0 BCADLO c1cn(-c2cc(-n3cc[nH+]c3)ncn2)cn1 ZINC000000009769 383817989 /nfs/dbraw/zinc/81/79/89/383817989.db2.gz AZHKZTUILYWBHY-UHFFFAOYSA-N 1 2 212.216 0.848 20 0 BCADLO CC(C)(C)OC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000069247244 383848828 /nfs/dbraw/zinc/84/88/28/383848828.db2.gz WQKUXSJARKGWKL-UHFFFAOYSA-N 1 2 245.319 0.459 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cc(C)nn1C ZINC000647209575 383861989 /nfs/dbraw/zinc/86/19/89/383861989.db2.gz PDCHCSLIZWARAO-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)C(=O)NCc1ccco1 ZINC000111399532 383862442 /nfs/dbraw/zinc/86/24/42/383862442.db2.gz PRCBYMWKSHBHLV-VIFPVBQESA-N 1 2 248.286 0.797 20 0 BCADLO CCCN(CCO)C(=O)NCc1c[nH+]cn1C ZINC000292391747 383928859 /nfs/dbraw/zinc/92/88/59/383928859.db2.gz QWMCBQUXAMZQBM-UHFFFAOYSA-N 1 2 240.307 0.334 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000348170340 383931746 /nfs/dbraw/zinc/93/17/46/383931746.db2.gz UCOYPRKZIDQWNH-RKDXNWHRSA-N 1 2 223.276 0.841 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000066833680 383893040 /nfs/dbraw/zinc/89/30/40/383893040.db2.gz ZKSDGIVUHXDNDM-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000066833680 383893047 /nfs/dbraw/zinc/89/30/47/383893047.db2.gz ZKSDGIVUHXDNDM-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO CC(=O)c1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088371898 383897923 /nfs/dbraw/zinc/89/79/23/383897923.db2.gz GUYUUBONWKOONZ-LBPRGKRZSA-N 1 2 248.282 0.816 20 0 BCADLO C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000531113086 383898128 /nfs/dbraw/zinc/89/81/28/383898128.db2.gz SAWOBPLQEKTHQZ-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000531113086 383898135 /nfs/dbraw/zinc/89/81/35/383898135.db2.gz SAWOBPLQEKTHQZ-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000647214183 383984214 /nfs/dbraw/zinc/98/42/14/383984214.db2.gz REPYZTFZSHXNJD-YWVKMMECSA-N 1 2 235.287 0.375 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000070651463 383952089 /nfs/dbraw/zinc/95/20/89/383952089.db2.gz XITPNIHSXVGKAW-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000363410161 383956477 /nfs/dbraw/zinc/95/64/77/383956477.db2.gz CGWBANIFEHABPY-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000363410161 383956482 /nfs/dbraw/zinc/95/64/82/383956482.db2.gz CGWBANIFEHABPY-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO COC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000407949414 383961802 /nfs/dbraw/zinc/96/18/02/383961802.db2.gz HYDUZNBISXAROO-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000068951203 384024946 /nfs/dbraw/zinc/02/49/46/384024946.db2.gz VWMUONNUGOQURI-SNVBAGLBSA-N 1 2 227.308 0.249 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000068951203 384024954 /nfs/dbraw/zinc/02/49/54/384024954.db2.gz VWMUONNUGOQURI-SNVBAGLBSA-N 1 2 227.308 0.249 20 0 BCADLO NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000075847346 384043074 /nfs/dbraw/zinc/04/30/74/384043074.db2.gz UKNJHUILDVTNNP-UHFFFAOYSA-N 1 2 220.272 0.618 20 0 BCADLO COC(=O)NCCNc1cc[nH+]c2ccncc12 ZINC000497125315 384086342 /nfs/dbraw/zinc/08/63/42/384086342.db2.gz FTMNUMXFTMEKCF-UHFFFAOYSA-N 1 2 246.270 0.820 20 0 BCADLO C[C@@H](O)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000114817900 384055172 /nfs/dbraw/zinc/05/51/72/384055172.db2.gz GCHQAFGDHUOGKY-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO C[C@H](CNC(=O)N[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000076057557 384059710 /nfs/dbraw/zinc/05/97/10/384059710.db2.gz GAEGFFIQLWMJHY-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO Cn1ncc2c1nc[nH+]c2SCCCO ZINC000078415485 384063268 /nfs/dbraw/zinc/06/32/68/384063268.db2.gz NBIHNVWCPZGWCI-UHFFFAOYSA-N 1 2 224.289 0.838 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(C(=O)OC)CC1 ZINC000049956503 384069942 /nfs/dbraw/zinc/06/99/42/384069942.db2.gz IXBUFYMIKJPDAG-QMMMGPOBSA-N 1 2 229.276 0.433 20 0 BCADLO COC[C@H]([NH2+]Cc1ncn(C)n1)C1CC1 ZINC000090969286 384078269 /nfs/dbraw/zinc/07/82/69/384078269.db2.gz UUPRTWUREQCESC-VIFPVBQESA-N 1 2 210.281 0.330 20 0 BCADLO COCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408007703 384096704 /nfs/dbraw/zinc/09/67/04/384096704.db2.gz FAEHUZKTGXJMCO-QMMMGPOBSA-N 1 2 227.264 0.601 20 0 BCADLO COCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408007703 384096711 /nfs/dbraw/zinc/09/67/11/384096711.db2.gz FAEHUZKTGXJMCO-QMMMGPOBSA-N 1 2 227.264 0.601 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000332644575 384097523 /nfs/dbraw/zinc/09/75/23/384097523.db2.gz LARZKKZIJKUCQJ-NXEZZACHSA-N 1 2 238.335 0.894 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000332644575 384097524 /nfs/dbraw/zinc/09/75/24/384097524.db2.gz LARZKKZIJKUCQJ-NXEZZACHSA-N 1 2 238.335 0.894 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000091073572 384100003 /nfs/dbraw/zinc/10/00/03/384100003.db2.gz MFVICQAMTWYPLL-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1nccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000091073572 384100008 /nfs/dbraw/zinc/10/00/08/384100008.db2.gz MFVICQAMTWYPLL-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000050113622 384109226 /nfs/dbraw/zinc/10/92/26/384109226.db2.gz YXKAMIBEHOONEO-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]2CO)o1 ZINC000050113622 384109231 /nfs/dbraw/zinc/10/92/31/384109231.db2.gz YXKAMIBEHOONEO-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)Cc1cccnc1 ZINC000116402482 384134950 /nfs/dbraw/zinc/13/49/50/384134950.db2.gz GQGPLEYEXLAUFP-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)Cc1cccnc1 ZINC000116402482 384134960 /nfs/dbraw/zinc/13/49/60/384134960.db2.gz GQGPLEYEXLAUFP-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)C1CC1 ZINC000227770393 134393893 /nfs/dbraw/zinc/39/38/93/134393893.db2.gz CMNQAFGYJFOSSI-ONGXEEELSA-N 1 2 240.303 0.148 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H](O)C1CC1 ZINC000070880738 384139072 /nfs/dbraw/zinc/13/90/72/384139072.db2.gz QTSXRKFSJYJCNF-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO COC(=O)[C@H]([NH2+]CCSC)C1CC1 ZINC000227767571 134393243 /nfs/dbraw/zinc/39/32/43/134393243.db2.gz JAMZEIAIENYDTQ-MRVPVSSYSA-N 1 2 203.307 0.891 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1CCOC1 ZINC000518672376 384171855 /nfs/dbraw/zinc/17/18/55/384171855.db2.gz PCUNUARIGGZUAL-QMMMGPOBSA-N 1 2 233.275 0.905 20 0 BCADLO O=C1C[N@H+](CCn2cncn2)[C@H]2CCCC[C@@H]2N1 ZINC000268297561 384166719 /nfs/dbraw/zinc/16/67/19/384166719.db2.gz UBWKWTZCDLTIBP-QWRGUYRKSA-N 1 2 249.318 0.021 20 0 BCADLO O=C1C[N@@H+](CCn2cncn2)[C@H]2CCCC[C@@H]2N1 ZINC000268297561 384166726 /nfs/dbraw/zinc/16/67/26/384166726.db2.gz UBWKWTZCDLTIBP-QWRGUYRKSA-N 1 2 249.318 0.021 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000375943635 384178014 /nfs/dbraw/zinc/17/80/14/384178014.db2.gz WFWPCKDWUPJQLX-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000375943635 384178016 /nfs/dbraw/zinc/17/80/16/384178016.db2.gz WFWPCKDWUPJQLX-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCF)n1 ZINC000408389988 384182405 /nfs/dbraw/zinc/18/24/05/384182405.db2.gz QCZQWKGBTMYVDB-DTWKUNHWSA-N 1 2 229.255 0.845 20 0 BCADLO Cc1noc([C@H]2C[C@H](O)C[N@H+]2CCCF)n1 ZINC000408389988 384182412 /nfs/dbraw/zinc/18/24/12/384182412.db2.gz QCZQWKGBTMYVDB-DTWKUNHWSA-N 1 2 229.255 0.845 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1ccnn1C ZINC000092974892 384203408 /nfs/dbraw/zinc/20/34/08/384203408.db2.gz ZRVSTZQRQYHDLN-UHFFFAOYSA-N 1 2 238.335 0.184 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1CCOCC1 ZINC000036320009 384206149 /nfs/dbraw/zinc/20/61/49/384206149.db2.gz RAKPJYNKJSJHLI-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO Cc1cc(N[C@@H]2CCCNC2=O)nc[nH+]1 ZINC000050396561 384206997 /nfs/dbraw/zinc/20/69/97/384206997.db2.gz OPNAUGPPLGZAJK-MRVPVSSYSA-N 1 2 206.249 0.476 20 0 BCADLO COC[C@@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000647159770 384186431 /nfs/dbraw/zinc/18/64/31/384186431.db2.gz ZXHNCQXUIZYFPT-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000093050012 384207558 /nfs/dbraw/zinc/20/75/58/384207558.db2.gz USQIRSPIKNTRSQ-NSHDSACASA-N 1 2 221.304 0.736 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000093050012 384207561 /nfs/dbraw/zinc/20/75/61/384207561.db2.gz USQIRSPIKNTRSQ-NSHDSACASA-N 1 2 221.304 0.736 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000132571168 384197057 /nfs/dbraw/zinc/19/70/57/384197057.db2.gz VZCQNQHZSLUESH-AYVTZFPOSA-N 1 2 229.349 0.965 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCn1cccn1 ZINC000118399424 384200339 /nfs/dbraw/zinc/20/03/39/384200339.db2.gz FAWOFLVMPJKJTR-UHFFFAOYSA-N 1 2 245.348 0.250 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCn1cccn1 ZINC000118399424 384200341 /nfs/dbraw/zinc/20/03/41/384200341.db2.gz FAWOFLVMPJKJTR-UHFFFAOYSA-N 1 2 245.348 0.250 20 0 BCADLO COC(=O)C[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093458453 384238250 /nfs/dbraw/zinc/23/82/50/384238250.db2.gz FQKNRQMOTSUMDR-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093458453 384238257 /nfs/dbraw/zinc/23/82/57/384238257.db2.gz FQKNRQMOTSUMDR-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO Cc1nc(N[C@@H]2CCCC[C@H]2O)nc(N)[nH+]1 ZINC000304402127 384277098 /nfs/dbraw/zinc/27/70/98/384277098.db2.gz AZAYAYZKJLODHD-HTQZYQBOSA-N 1 2 223.280 0.478 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000304402127 384277104 /nfs/dbraw/zinc/27/71/04/384277104.db2.gz AZAYAYZKJLODHD-HTQZYQBOSA-N 1 2 223.280 0.478 20 0 BCADLO C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000093559777 384252094 /nfs/dbraw/zinc/25/20/94/384252094.db2.gz WWIODXITPOWQBH-IUCAKERBSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000093559777 384252097 /nfs/dbraw/zinc/25/20/97/384252097.db2.gz WWIODXITPOWQBH-IUCAKERBSA-N 1 2 243.332 0.417 20 0 BCADLO CC[C@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356597291 384277391 /nfs/dbraw/zinc/27/73/91/384277391.db2.gz OSVHJWYZIMBMJJ-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000359562826 384258685 /nfs/dbraw/zinc/25/86/85/384258685.db2.gz YWTVSTSDASYKJI-VXGBXAGGSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000359562826 384258694 /nfs/dbraw/zinc/25/86/94/384258694.db2.gz YWTVSTSDASYKJI-VXGBXAGGSA-N 1 2 241.379 0.785 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1c[nH]nc1C ZINC000093816274 384271357 /nfs/dbraw/zinc/27/13/57/384271357.db2.gz KEJPZWRQXQMXAP-UHFFFAOYSA-N 1 2 245.348 0.585 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1c[nH]nc1C ZINC000093816274 384271362 /nfs/dbraw/zinc/27/13/62/384271362.db2.gz KEJPZWRQXQMXAP-UHFFFAOYSA-N 1 2 245.348 0.585 20 0 BCADLO COc1cc(C[NH2+]Cc2cnn(C)n2)ccn1 ZINC000294179560 384276339 /nfs/dbraw/zinc/27/63/39/384276339.db2.gz QLALXMLLTWHHNQ-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO Cc1nc(NCCC[C@@H](C)CO)nc(N)[nH+]1 ZINC000304435197 384306429 /nfs/dbraw/zinc/30/64/29/384306429.db2.gz GYBRCHXENOKVKY-SSDOTTSWSA-N 1 2 225.296 0.583 20 0 BCADLO Cc1nc(N)nc(NCCC[C@@H](C)CO)[nH+]1 ZINC000304435197 384306438 /nfs/dbraw/zinc/30/64/38/384306438.db2.gz GYBRCHXENOKVKY-SSDOTTSWSA-N 1 2 225.296 0.583 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1cccnc1 ZINC000074917074 384310029 /nfs/dbraw/zinc/31/00/29/384310029.db2.gz CMMOIJCADOWBDM-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO COc1ccnc(CNCc2c[nH+]cn2C)n1 ZINC000424192111 533054363 /nfs/dbraw/zinc/05/43/63/533054363.db2.gz RIMUHMGVSOBAPO-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000235258729 384295651 /nfs/dbraw/zinc/29/56/51/384295651.db2.gz SKCOAJJEARTTHW-NXEZZACHSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000235258729 384295660 /nfs/dbraw/zinc/29/56/60/384295660.db2.gz SKCOAJJEARTTHW-NXEZZACHSA-N 1 2 239.323 0.336 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccnn1CC ZINC000119697210 384296590 /nfs/dbraw/zinc/29/65/90/384296590.db2.gz SKTFXJIXIOFJAU-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccnn1CC ZINC000119697210 384296596 /nfs/dbraw/zinc/29/65/96/384296596.db2.gz SKTFXJIXIOFJAU-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)O ZINC000394004366 384303425 /nfs/dbraw/zinc/30/34/25/384303425.db2.gz MVFVQEUKVHXYKX-ZETCQYMHSA-N 1 2 235.291 0.935 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332714612 384339038 /nfs/dbraw/zinc/33/90/38/384339038.db2.gz PQFQSBFXRGSQID-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332714612 384339046 /nfs/dbraw/zinc/33/90/46/384339046.db2.gz PQFQSBFXRGSQID-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000083995542 384355039 /nfs/dbraw/zinc/35/50/39/384355039.db2.gz CYPHVJLTYYPBGP-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](O)C1 ZINC000083995542 384355044 /nfs/dbraw/zinc/35/50/44/384355044.db2.gz CYPHVJLTYYPBGP-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000084081569 384361712 /nfs/dbraw/zinc/36/17/12/384361712.db2.gz FSXQDIAWBMMWQQ-QMMMGPOBSA-N 1 2 209.249 0.453 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000084081569 384361714 /nfs/dbraw/zinc/36/17/14/384361714.db2.gz FSXQDIAWBMMWQQ-QMMMGPOBSA-N 1 2 209.249 0.453 20 0 BCADLO CCSCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000558887252 384371336 /nfs/dbraw/zinc/37/13/36/384371336.db2.gz IYZWWAWKWZMGSB-UHFFFAOYSA-N 1 2 242.348 0.339 20 0 BCADLO CCSCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000558887252 384371339 /nfs/dbraw/zinc/37/13/39/384371339.db2.gz IYZWWAWKWZMGSB-UHFFFAOYSA-N 1 2 242.348 0.339 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C)on2)C1 ZINC000332666185 384329439 /nfs/dbraw/zinc/32/94/39/384329439.db2.gz HAMJTTLDDAWXAX-QWRGUYRKSA-N 1 2 226.276 0.565 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(C)on2)C1 ZINC000332666185 384329443 /nfs/dbraw/zinc/32/94/43/384329443.db2.gz HAMJTTLDDAWXAX-QWRGUYRKSA-N 1 2 226.276 0.565 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000377400939 384331815 /nfs/dbraw/zinc/33/18/15/384331815.db2.gz NPCANXADLMOHJU-HRDYMLBCSA-N 1 2 203.307 0.183 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000377400939 384331822 /nfs/dbraw/zinc/33/18/22/384331822.db2.gz NPCANXADLMOHJU-HRDYMLBCSA-N 1 2 203.307 0.183 20 0 BCADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120191564 384334557 /nfs/dbraw/zinc/33/45/57/384334557.db2.gz OCPCIZPMFMGPPY-ZETCQYMHSA-N 1 2 229.711 0.984 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120191564 384334566 /nfs/dbraw/zinc/33/45/66/384334566.db2.gz OCPCIZPMFMGPPY-ZETCQYMHSA-N 1 2 229.711 0.984 20 0 BCADLO CC(C)COCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000299746052 384392900 /nfs/dbraw/zinc/39/29/00/384392900.db2.gz UZSXRYMMFWYNBV-ZJUUUORDSA-N 1 2 232.299 0.557 20 0 BCADLO CC(C)COCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000299746052 384392908 /nfs/dbraw/zinc/39/29/08/384392908.db2.gz UZSXRYMMFWYNBV-ZJUUUORDSA-N 1 2 232.299 0.557 20 0 BCADLO CCC[N@H+](CCO)Cc1nc([C@@H](C)OC)no1 ZINC000175093113 384395998 /nfs/dbraw/zinc/39/59/98/384395998.db2.gz LBAHMDOJBGVYBN-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc([C@@H](C)OC)no1 ZINC000175093113 384396003 /nfs/dbraw/zinc/39/60/03/384396003.db2.gz LBAHMDOJBGVYBN-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CCOCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000560884981 384398351 /nfs/dbraw/zinc/39/83/51/384398351.db2.gz SDNPSCXGBRVBQQ-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCOCC1CCC1 ZINC000642705204 384407789 /nfs/dbraw/zinc/40/77/89/384407789.db2.gz KHRMAGXTLBBTOK-GFCCVEGCSA-N 1 2 229.320 0.496 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCOCC1CCC1 ZINC000642705204 384407794 /nfs/dbraw/zinc/40/77/94/384407794.db2.gz KHRMAGXTLBBTOK-GFCCVEGCSA-N 1 2 229.320 0.496 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCC1(O)CCC1 ZINC000560840677 384379947 /nfs/dbraw/zinc/37/99/47/384379947.db2.gz MKJXKPDUSAUZOU-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530514875 384385146 /nfs/dbraw/zinc/38/51/46/384385146.db2.gz FZPAWHLDPSXNPP-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000530514875 384385153 /nfs/dbraw/zinc/38/51/53/384385153.db2.gz FZPAWHLDPSXNPP-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560998897 384438025 /nfs/dbraw/zinc/43/80/25/384438025.db2.gz HNMNAGFRVJJRJB-UHFFFAOYSA-N 1 2 232.243 0.361 20 0 BCADLO C[C@@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000078771670 384462881 /nfs/dbraw/zinc/46/28/81/384462881.db2.gz PPBSLQLLRADWFO-SSDOTTSWSA-N 1 2 221.264 0.546 20 0 BCADLO C[N@H+](CCC1CCOCC1)Cc1n[nH]c(=O)[nH]1 ZINC000561059665 384469993 /nfs/dbraw/zinc/46/99/93/384469993.db2.gz ACROEDFBVGXODJ-UHFFFAOYSA-N 1 2 240.307 0.759 20 0 BCADLO C[N@@H+](CCC1CCOCC1)Cc1n[nH]c(=O)[nH]1 ZINC000561059665 384469996 /nfs/dbraw/zinc/46/99/96/384469996.db2.gz ACROEDFBVGXODJ-UHFFFAOYSA-N 1 2 240.307 0.759 20 0 BCADLO COc1nccnc1C[N@H+](C)C1CC(O)C1 ZINC000449236607 384470217 /nfs/dbraw/zinc/47/02/17/384470217.db2.gz KWTMTNUUJPRSBQ-UHFFFAOYSA-N 1 2 223.276 0.440 20 0 BCADLO COc1nccnc1C[N@@H+](C)C1CC(O)C1 ZINC000449236607 384470222 /nfs/dbraw/zinc/47/02/22/384470222.db2.gz KWTMTNUUJPRSBQ-UHFFFAOYSA-N 1 2 223.276 0.440 20 0 BCADLO O=C1CC[N@H+](Cc2cn3ccccc3n2)CCN1 ZINC000122607250 384495498 /nfs/dbraw/zinc/49/54/98/384495498.db2.gz MEFFPERKCTVYPL-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1CC[N@@H+](Cc2cn3ccccc3n2)CCN1 ZINC000122607250 384495505 /nfs/dbraw/zinc/49/55/05/384495505.db2.gz MEFFPERKCTVYPL-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO CCCCOCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000079482180 384498415 /nfs/dbraw/zinc/49/84/15/384498415.db2.gz RRJIEYTYFCGZEK-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCCOCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000079482180 384498419 /nfs/dbraw/zinc/49/84/19/384498419.db2.gz RRJIEYTYFCGZEK-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249835 384504853 /nfs/dbraw/zinc/50/48/53/384504853.db2.gz WQINAIUFJNPLGL-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000158571002 384522152 /nfs/dbraw/zinc/52/21/52/384522152.db2.gz LBDJJEBXIZNFNN-ABKXIKBNSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000158571002 384522158 /nfs/dbraw/zinc/52/21/58/384522158.db2.gz LBDJJEBXIZNFNN-ABKXIKBNSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC2(F)F)CCO1 ZINC000517850042 384527565 /nfs/dbraw/zinc/52/75/65/384527565.db2.gz PQVHNDBGDIQXIE-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC2(F)F)CCO1 ZINC000517850042 384527566 /nfs/dbraw/zinc/52/75/66/384527566.db2.gz PQVHNDBGDIQXIE-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CO1 ZINC000569607532 384530685 /nfs/dbraw/zinc/53/06/85/384530685.db2.gz QSFGNHCPYKRRHN-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO COC(=O)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111192550 384563608 /nfs/dbraw/zinc/56/36/08/384563608.db2.gz HZRLDHSAVMINMM-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000111192550 384563614 /nfs/dbraw/zinc/56/36/14/384563614.db2.gz HZRLDHSAVMINMM-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO C[N@H+](CCCO)Cc1nc(C2CC2)no1 ZINC000300789584 384549430 /nfs/dbraw/zinc/54/94/30/384549430.db2.gz HEPHRFRKYQJFFE-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO C[N@@H+](CCCO)Cc1nc(C2CC2)no1 ZINC000300789584 384549440 /nfs/dbraw/zinc/54/94/40/384549440.db2.gz HEPHRFRKYQJFFE-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO Cc1nc(N(C)CCNC(=O)C(C)C)cc[nH+]1 ZINC000162046508 384563094 /nfs/dbraw/zinc/56/30/94/384563094.db2.gz QXGLGTPCQYWVNO-UHFFFAOYSA-N 1 2 236.319 0.993 20 0 BCADLO CCOC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000428681386 384556159 /nfs/dbraw/zinc/55/61/59/384556159.db2.gz NMTIRSOYDZKXKE-ZETCQYMHSA-N 1 2 211.265 0.873 20 0 BCADLO CC(C)=C(F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000151392296 384562311 /nfs/dbraw/zinc/56/23/11/384562311.db2.gz MIXYUYCWVOVTCH-SECBINFHSA-N 1 2 230.283 0.697 20 0 BCADLO CC(C)=C(F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000151392296 384562319 /nfs/dbraw/zinc/56/23/19/384562319.db2.gz MIXYUYCWVOVTCH-SECBINFHSA-N 1 2 230.283 0.697 20 0 BCADLO COC[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000306090450 384569375 /nfs/dbraw/zinc/56/93/75/384569375.db2.gz LNTPIIDRWIPEEO-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO COC[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000306090450 384569383 /nfs/dbraw/zinc/56/93/83/384569383.db2.gz LNTPIIDRWIPEEO-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO c1ncc(C[N@@H+]2CCN3CCOC[C@@H]3C2)s1 ZINC000363890932 384575345 /nfs/dbraw/zinc/57/53/45/384575345.db2.gz SOOXYNDCPBHCEF-JTQLQIEISA-N 1 2 239.344 0.660 20 0 BCADLO c1ncc(C[N@H+]2CCN3CCOC[C@@H]3C2)s1 ZINC000363890932 384575354 /nfs/dbraw/zinc/57/53/54/384575354.db2.gz SOOXYNDCPBHCEF-JTQLQIEISA-N 1 2 239.344 0.660 20 0 BCADLO c1ncc(C[N@@H+]2CCN3CCOC[C@H]3C2)s1 ZINC000363890945 384576595 /nfs/dbraw/zinc/57/65/95/384576595.db2.gz SOOXYNDCPBHCEF-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO c1ncc(C[N@H+]2CCN3CCOC[C@H]3C2)s1 ZINC000363890945 384576598 /nfs/dbraw/zinc/57/65/98/384576598.db2.gz SOOXYNDCPBHCEF-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)N(C)C)n1C ZINC000309748253 384576819 /nfs/dbraw/zinc/57/68/19/384576819.db2.gz GBUKWWZTKNRQNF-VIFPVBQESA-N 1 2 224.308 0.295 20 0 BCADLO Cc1c[nH+]c(CN[C@@H](C)C(=O)N(C)C)n1C ZINC000309748253 384576825 /nfs/dbraw/zinc/57/68/25/384576825.db2.gz GBUKWWZTKNRQNF-VIFPVBQESA-N 1 2 224.308 0.295 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000102769907 384576953 /nfs/dbraw/zinc/57/69/53/384576953.db2.gz NCJWJPHHOABVDS-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000102769907 384576955 /nfs/dbraw/zinc/57/69/55/384576955.db2.gz NCJWJPHHOABVDS-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111216766 384580955 /nfs/dbraw/zinc/58/09/55/384580955.db2.gz NVRUYHCSVDGUDA-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111216766 384580959 /nfs/dbraw/zinc/58/09/59/384580959.db2.gz NVRUYHCSVDGUDA-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO C[C@](O)(C[NH+]1CC(O)(C2CC2)C1)C(F)(F)F ZINC000309754551 384581409 /nfs/dbraw/zinc/58/14/09/384581409.db2.gz LGLRXTPQNFADRR-QMMMGPOBSA-N 1 2 239.237 0.756 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000181620344 384584744 /nfs/dbraw/zinc/58/47/44/384584744.db2.gz BSUWIVDZOIGRII-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000408036788 384589187 /nfs/dbraw/zinc/58/91/87/384589187.db2.gz XDHYCLADFKZBEX-BDAKNGLRSA-N 1 2 210.281 0.977 20 0 BCADLO CCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000408036788 384589194 /nfs/dbraw/zinc/58/91/94/384589194.db2.gz XDHYCLADFKZBEX-BDAKNGLRSA-N 1 2 210.281 0.977 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](CCO)C(C)C)n1 ZINC000176366450 384612211 /nfs/dbraw/zinc/61/22/11/384612211.db2.gz QRGJWMZOSRUATH-VIFPVBQESA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000176366450 384612216 /nfs/dbraw/zinc/61/22/16/384612216.db2.gz QRGJWMZOSRUATH-VIFPVBQESA-N 1 2 243.307 0.980 20 0 BCADLO Cc1cnccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081365427 384614301 /nfs/dbraw/zinc/61/43/01/384614301.db2.gz MYAHFQOXBOZTCO-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cnccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081365427 384614307 /nfs/dbraw/zinc/61/43/07/384614307.db2.gz MYAHFQOXBOZTCO-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](O)C1 ZINC000561300538 384633302 /nfs/dbraw/zinc/63/33/02/384633302.db2.gz VJEXKDHKUXMISE-ONGXEEELSA-N 1 2 235.287 0.039 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccco1 ZINC000184576883 384622754 /nfs/dbraw/zinc/62/27/54/384622754.db2.gz PYTRILLTUUPNIO-ZJUUUORDSA-N 1 2 238.287 0.787 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000520913898 384632165 /nfs/dbraw/zinc/63/21/65/384632165.db2.gz WYZOCUQCMIUHBY-UWVGGRQHSA-N 1 2 225.292 0.406 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000050117945 384595457 /nfs/dbraw/zinc/59/54/57/384595457.db2.gz DBZLVAXUBILQGY-QMMMGPOBSA-N 1 2 247.726 0.513 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000050117945 384595464 /nfs/dbraw/zinc/59/54/64/384595464.db2.gz DBZLVAXUBILQGY-QMMMGPOBSA-N 1 2 247.726 0.513 20 0 BCADLO Cc1nc(N2CCO[C@]3(CCOC3)C2)cc[nH+]1 ZINC000184347757 384595944 /nfs/dbraw/zinc/59/59/44/384595944.db2.gz SNRWAJLUCJMYHM-GFCCVEGCSA-N 1 2 235.287 0.781 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000517956547 384597005 /nfs/dbraw/zinc/59/70/05/384597005.db2.gz CZKNZNZPJMGYHJ-MWLCHTKSSA-N 1 2 222.292 0.661 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000517956547 384597019 /nfs/dbraw/zinc/59/70/19/384597019.db2.gz CZKNZNZPJMGYHJ-MWLCHTKSSA-N 1 2 222.292 0.661 20 0 BCADLO CN(C(=O)C[N@H+](C)Cc1cnccn1)C1CC1 ZINC000080965534 384597911 /nfs/dbraw/zinc/59/79/11/384597911.db2.gz UBRXOSBGSAVMDK-UHFFFAOYSA-N 1 2 234.303 0.529 20 0 BCADLO CN(C(=O)C[N@@H+](C)Cc1cnccn1)C1CC1 ZINC000080965534 384597919 /nfs/dbraw/zinc/59/79/19/384597919.db2.gz UBRXOSBGSAVMDK-UHFFFAOYSA-N 1 2 234.303 0.529 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000061710876 384671480 /nfs/dbraw/zinc/67/14/80/384671480.db2.gz BQFNUNASKGRBIG-SECBINFHSA-N 1 2 208.261 0.274 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000061710876 384671486 /nfs/dbraw/zinc/67/14/86/384671486.db2.gz BQFNUNASKGRBIG-SECBINFHSA-N 1 2 208.261 0.274 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)C1(S(C)(=O)=O)CC1 ZINC000309816587 384643567 /nfs/dbraw/zinc/64/35/67/384643567.db2.gz VJMPBOKEKHGXDW-QMMMGPOBSA-N 1 2 243.332 0.465 20 0 BCADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(N)=O)o1 ZINC000184787064 384649250 /nfs/dbraw/zinc/64/92/50/384649250.db2.gz YSVLDXRUFZLUTK-WPRPVWTQSA-N 1 2 240.303 0.993 20 0 BCADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(N)=O)o1 ZINC000184787046 384650979 /nfs/dbraw/zinc/65/09/79/384650979.db2.gz YSVLDXRUFZLUTK-WCBMZHEXSA-N 1 2 240.303 0.993 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC000531010976 384651004 /nfs/dbraw/zinc/65/10/04/384651004.db2.gz FALOHAXKWAQKDR-MRVPVSSYSA-N 1 2 247.302 0.872 20 0 BCADLO COC[C@@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360112187 384660550 /nfs/dbraw/zinc/66/05/50/384660550.db2.gz WQVXYFSWRRPNPZ-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000124793726 384678096 /nfs/dbraw/zinc/67/80/96/384678096.db2.gz LYISPVVQVOAKRM-NSHDSACASA-N 1 2 239.271 0.909 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000124793726 384678101 /nfs/dbraw/zinc/67/81/01/384678101.db2.gz LYISPVVQVOAKRM-NSHDSACASA-N 1 2 239.271 0.909 20 0 BCADLO C[C@H](O)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000051818377 384690544 /nfs/dbraw/zinc/69/05/44/384690544.db2.gz MOUNXSAYXBHHSB-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO Cn1nccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185191706 384691885 /nfs/dbraw/zinc/69/18/85/384691885.db2.gz NCHZIBCPWKMUCW-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1nccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185191706 384691896 /nfs/dbraw/zinc/69/18/96/384691896.db2.gz NCHZIBCPWKMUCW-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000052098995 384718330 /nfs/dbraw/zinc/71/83/30/384718330.db2.gz ZQDAHNUQNNLHPS-CYBMUJFWSA-N 1 2 237.299 0.999 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000052098995 384718332 /nfs/dbraw/zinc/71/83/32/384718332.db2.gz ZQDAHNUQNNLHPS-CYBMUJFWSA-N 1 2 237.299 0.999 20 0 BCADLO Cc1ccc([C@@H](O)C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000173788874 384720458 /nfs/dbraw/zinc/72/04/58/384720458.db2.gz VHSLRUJPQCSMOQ-ZDUSSCGKSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1ccc([C@@H](O)C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000173788874 384720465 /nfs/dbraw/zinc/72/04/65/384720465.db2.gz VHSLRUJPQCSMOQ-ZDUSSCGKSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000247050047 384773399 /nfs/dbraw/zinc/77/33/99/384773399.db2.gz VFEWCKWUBHWCQP-NXEZZACHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000247050047 384773413 /nfs/dbraw/zinc/77/34/13/384773413.db2.gz VFEWCKWUBHWCQP-NXEZZACHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000247050064 384774022 /nfs/dbraw/zinc/77/40/22/384774022.db2.gz VFEWCKWUBHWCQP-VHSXEESVSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000247050064 384774029 /nfs/dbraw/zinc/77/40/29/384774029.db2.gz VFEWCKWUBHWCQP-VHSXEESVSA-N 1 2 225.292 0.971 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000308510948 384775181 /nfs/dbraw/zinc/77/51/81/384775181.db2.gz KUQWATPYFFJPMJ-BDAKNGLRSA-N 1 2 203.282 0.809 20 0 BCADLO CO[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000309969113 384748753 /nfs/dbraw/zinc/74/87/53/384748753.db2.gz OQJAEEFWGDIEKV-SECBINFHSA-N 1 2 223.276 0.645 20 0 BCADLO CC[NH+](CC)CC(=O)Nc1n[nH]c(C)n1 ZINC000103257690 384755957 /nfs/dbraw/zinc/75/59/57/384755957.db2.gz SFKLWKFCZXNNNG-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CC[NH+](CC)CC(=O)Nc1nnc(C)[nH]1 ZINC000103257690 384755963 /nfs/dbraw/zinc/75/59/63/384755963.db2.gz SFKLWKFCZXNNNG-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CC[NH+](CC)CC(=O)Nc1nc(C)n[nH]1 ZINC000103257690 384755971 /nfs/dbraw/zinc/75/59/71/384755971.db2.gz SFKLWKFCZXNNNG-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000103284818 384827178 /nfs/dbraw/zinc/82/71/78/384827178.db2.gz FJZNUAGEQJCFBI-IONNQARKSA-N 1 2 238.291 0.464 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000103284818 384827184 /nfs/dbraw/zinc/82/71/84/384827184.db2.gz FJZNUAGEQJCFBI-IONNQARKSA-N 1 2 238.291 0.464 20 0 BCADLO CC(C)c1noc(C[NH2+]C(C)(C)CC(N)=O)n1 ZINC000186207345 384828975 /nfs/dbraw/zinc/82/89/75/384828975.db2.gz JJGAJUZXVVFZPC-UHFFFAOYSA-N 1 2 240.307 0.937 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780387 384834148 /nfs/dbraw/zinc/83/41/48/384834148.db2.gz ODOBMRMMFCYAKT-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780387 384834151 /nfs/dbraw/zinc/83/41/51/384834151.db2.gz ODOBMRMMFCYAKT-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104597822 384834356 /nfs/dbraw/zinc/83/43/56/384834356.db2.gz ZMKXPFWJPNLBBP-GARJFASQSA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000308592517 384835865 /nfs/dbraw/zinc/83/58/65/384835865.db2.gz KXJIXBNRZAMRRN-CIUDSAMLSA-N 1 2 201.266 0.420 20 0 BCADLO OCC[N@H+](Cc1csnn1)C1CCC1 ZINC000308549671 384798099 /nfs/dbraw/zinc/79/80/99/384798099.db2.gz RDLPFFFIIBLIRB-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO OCC[N@@H+](Cc1csnn1)C1CCC1 ZINC000308549671 384798103 /nfs/dbraw/zinc/79/81/03/384798103.db2.gz RDLPFFFIIBLIRB-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CC(=O)NCCCNc1nc[nH+]c(N)c1Cl ZINC000277621538 384805872 /nfs/dbraw/zinc/80/58/72/384805872.db2.gz WLMLWLULKXJACJ-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO CC(=O)NCCCNc1[nH+]cnc(N)c1Cl ZINC000277621538 384805881 /nfs/dbraw/zinc/80/58/81/384805881.db2.gz WLMLWLULKXJACJ-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C1CCC1 ZINC000449646495 384812670 /nfs/dbraw/zinc/81/26/70/384812670.db2.gz BNQPMFQMEBSXBZ-MWLCHTKSSA-N 1 2 237.303 0.549 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000103148351 384812976 /nfs/dbraw/zinc/81/29/76/384812976.db2.gz VSLHARDFTSKTSF-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000103148351 384812984 /nfs/dbraw/zinc/81/29/84/384812984.db2.gz VSLHARDFTSKTSF-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO CSCCC[N@H+](C)Cc1nnc[nH]1 ZINC000174824559 384843272 /nfs/dbraw/zinc/84/32/72/384843272.db2.gz CCEXEQNXHCVMHS-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CSCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000174824559 384843279 /nfs/dbraw/zinc/84/32/79/384843279.db2.gz CCEXEQNXHCVMHS-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CCN(C)C(=O)CNc1[nH+]cnc2c1cnn2C ZINC000186842579 384888581 /nfs/dbraw/zinc/88/85/81/384888581.db2.gz FBKCHWQBRSQFEX-UHFFFAOYSA-N 1 2 248.290 0.254 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000105934741 384891031 /nfs/dbraw/zinc/89/10/31/384891031.db2.gz UWECGXXVKZJXIS-IONNQARKSA-N 1 2 238.291 0.052 20 0 BCADLO Cc1ccoc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127388457 384891099 /nfs/dbraw/zinc/89/10/99/384891099.db2.gz CHWSKSSTRKYGSL-UHFFFAOYSA-N 1 2 208.261 0.862 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127388457 384891106 /nfs/dbraw/zinc/89/11/06/384891106.db2.gz CHWSKSSTRKYGSL-UHFFFAOYSA-N 1 2 208.261 0.862 20 0 BCADLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000336267602 384902657 /nfs/dbraw/zinc/90/26/57/384902657.db2.gz ZHXDAMZAMBGTJK-LLVKDONJSA-N 1 2 243.282 0.362 20 0 BCADLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000336267602 384902663 /nfs/dbraw/zinc/90/26/63/384902663.db2.gz ZHXDAMZAMBGTJK-LLVKDONJSA-N 1 2 243.282 0.362 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364045669 384903706 /nfs/dbraw/zinc/90/37/06/384903706.db2.gz WALJVDZQWNFHBB-VHSXEESVSA-N 1 2 237.303 0.190 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cncnc1OC ZINC000647203204 384914247 /nfs/dbraw/zinc/91/42/47/384914247.db2.gz PXIKAYYBLULNEP-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000565751271 384920135 /nfs/dbraw/zinc/92/01/35/384920135.db2.gz AIZZMKUHSKREOF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000565751271 384920139 /nfs/dbraw/zinc/92/01/39/384920139.db2.gz AIZZMKUHSKREOF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO OCC1(C[N@@H+]2CCC[C@@H]2C(F)F)COC1 ZINC000557393274 384928769 /nfs/dbraw/zinc/92/87/69/384928769.db2.gz QKIADGQETYXCJS-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO OCC1(C[N@H+]2CCC[C@@H]2C(F)F)COC1 ZINC000557393274 384928777 /nfs/dbraw/zinc/92/87/77/384928777.db2.gz QKIADGQETYXCJS-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO CC(C)N1CC[C@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000177247462 384931418 /nfs/dbraw/zinc/93/14/18/384931418.db2.gz CBBLKFDEWFGSON-LBPRGKRZSA-N 1 2 248.330 0.918 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000177247462 384931425 /nfs/dbraw/zinc/93/14/25/384931425.db2.gz CBBLKFDEWFGSON-LBPRGKRZSA-N 1 2 248.330 0.918 20 0 BCADLO O=c1[nH]nc(CNc2[nH]c3ccccc3[nH+]2)[nH]1 ZINC000301866072 384935385 /nfs/dbraw/zinc/93/53/85/384935385.db2.gz HGIHLKWDTIJEQT-UHFFFAOYSA-N 1 2 230.231 0.586 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000331959239 384966408 /nfs/dbraw/zinc/96/64/08/384966408.db2.gz KDCBFBPGHBWFEQ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@@H](O)C1 ZINC000331959239 384966414 /nfs/dbraw/zinc/96/64/14/384966414.db2.gz KDCBFBPGHBWFEQ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000331959242 384966977 /nfs/dbraw/zinc/96/69/77/384966977.db2.gz KDCBFBPGHBWFEQ-ZJUUUORDSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@@H](O)C1 ZINC000331959242 384966982 /nfs/dbraw/zinc/96/69/82/384966982.db2.gz KDCBFBPGHBWFEQ-ZJUUUORDSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@H](O)C1 ZINC000331959237 384967003 /nfs/dbraw/zinc/96/70/03/384967003.db2.gz KDCBFBPGHBWFEQ-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@H](O)C1 ZINC000331959237 384967005 /nfs/dbraw/zinc/96/70/05/384967005.db2.gz KDCBFBPGHBWFEQ-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)Cc1ccns1 ZINC000404331331 384969254 /nfs/dbraw/zinc/96/92/54/384969254.db2.gz BNZPOLXAXFNYFQ-MRVPVSSYSA-N 1 2 213.306 0.839 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1ccns1 ZINC000404331331 384969262 /nfs/dbraw/zinc/96/92/62/384969262.db2.gz BNZPOLXAXFNYFQ-MRVPVSSYSA-N 1 2 213.306 0.839 20 0 BCADLO CCn1ncnc1C[N@H+](C)C1CC(O)C1 ZINC000408358861 385015591 /nfs/dbraw/zinc/01/55/91/385015591.db2.gz INRKUNUHQYNANJ-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C1CC(O)C1 ZINC000408358861 385015597 /nfs/dbraw/zinc/01/55/97/385015597.db2.gz INRKUNUHQYNANJ-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000107290600 384963325 /nfs/dbraw/zinc/96/33/25/384963325.db2.gz VRLYHLGMRXMAGP-VIFPVBQESA-N 1 2 233.271 0.807 20 0 BCADLO CC(=O)N1CC(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000188422554 385049516 /nfs/dbraw/zinc/04/95/16/385049516.db2.gz DYNTWBZWQJAOFB-UHFFFAOYSA-N 1 2 233.271 0.807 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000377400938 385051182 /nfs/dbraw/zinc/05/11/82/385051182.db2.gz NPCANXADLMOHJU-HLTSFMKQSA-N 1 2 203.307 0.183 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000377400938 385051188 /nfs/dbraw/zinc/05/11/88/385051188.db2.gz NPCANXADLMOHJU-HLTSFMKQSA-N 1 2 203.307 0.183 20 0 BCADLO COC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105919181 385057437 /nfs/dbraw/zinc/05/74/37/385057437.db2.gz JGDDBDAJTNUGNQ-VIFPVBQESA-N 1 2 211.265 0.343 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CSC ZINC000361633803 385057453 /nfs/dbraw/zinc/05/74/53/385057453.db2.gz XHPMFBIUNHOTFU-JGVFFNPUSA-N 1 2 221.322 0.204 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CSC ZINC000361633803 385057459 /nfs/dbraw/zinc/05/74/59/385057459.db2.gz XHPMFBIUNHOTFU-JGVFFNPUSA-N 1 2 221.322 0.204 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@@H](C)O)c1 ZINC000518396510 385057562 /nfs/dbraw/zinc/05/75/62/385057562.db2.gz HBUYEXLOZHQJEU-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@@H](C)O)c1 ZINC000518396510 385057568 /nfs/dbraw/zinc/05/75/68/385057568.db2.gz HBUYEXLOZHQJEU-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO C[C@]1(C(=O)Nc2ccc3nn[nH]c3c2)CC[NH2+]C1 ZINC000150958910 385077589 /nfs/dbraw/zinc/07/75/89/385077589.db2.gz MXJPYHVQYGPLED-LBPRGKRZSA-N 1 2 245.286 0.896 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)nc1 ZINC000157137462 385080725 /nfs/dbraw/zinc/08/07/25/385080725.db2.gz GTGWERDINGUAAS-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)nc1 ZINC000157137462 385080731 /nfs/dbraw/zinc/08/07/31/385080731.db2.gz GTGWERDINGUAAS-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000130135998 385024747 /nfs/dbraw/zinc/02/47/47/385024747.db2.gz SWMZMZQIJYMTTD-QMMMGPOBSA-N 1 2 224.308 0.675 20 0 BCADLO O=C1C[N@H+](CCOc2ccccc2)CCN1 ZINC000058755529 385026073 /nfs/dbraw/zinc/02/60/73/385026073.db2.gz CQNVZFACQGBRTN-UHFFFAOYSA-N 1 2 220.272 0.497 20 0 BCADLO O=C1C[N@@H+](CCOc2ccccc2)CCN1 ZINC000058755529 385026081 /nfs/dbraw/zinc/02/60/81/385026081.db2.gz CQNVZFACQGBRTN-UHFFFAOYSA-N 1 2 220.272 0.497 20 0 BCADLO O=C(NCc1ncc[nH]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557595150 385033621 /nfs/dbraw/zinc/03/36/21/385033621.db2.gz FKMGGWVHTKXNAS-SECBINFHSA-N 1 2 245.286 0.485 20 0 BCADLO C[N@H+]1C[C@H]2CN(c3[nH+]cccc3C(=O)[O-])C[C@H]2C1 ZINC000647448129 385033847 /nfs/dbraw/zinc/03/38/47/385033847.db2.gz XJFIWIDBUXIBCG-AOOOYVTPSA-N 1 2 247.298 0.778 20 0 BCADLO C[N@@H+]1C[C@H]2CN(c3[nH+]cccc3C(=O)[O-])C[C@H]2C1 ZINC000647448129 385033854 /nfs/dbraw/zinc/03/38/54/385033854.db2.gz XJFIWIDBUXIBCG-AOOOYVTPSA-N 1 2 247.298 0.778 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000360617668 385042503 /nfs/dbraw/zinc/04/25/03/385042503.db2.gz IOXBIHHIFAQPJF-ZJUUUORDSA-N 1 2 239.319 0.955 20 0 BCADLO CC(C)n1cc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000188383041 385044527 /nfs/dbraw/zinc/04/45/27/385044527.db2.gz CRSMCVCKVBIUOQ-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(C)on1 ZINC000557744723 385110103 /nfs/dbraw/zinc/11/01/03/385110103.db2.gz ZOFGUZDLKQGAMM-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(C)on1 ZINC000557744723 385110111 /nfs/dbraw/zinc/11/01/11/385110111.db2.gz ZOFGUZDLKQGAMM-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO Cn1c[nH+]cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310547292 385110707 /nfs/dbraw/zinc/11/07/07/385110707.db2.gz FCPODXHZSGIJOO-TXEJJXNPSA-N 1 2 234.347 0.852 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H](O)C1(C)C ZINC000129147375 385113892 /nfs/dbraw/zinc/11/38/92/385113892.db2.gz PGDYZACISUUEQH-BDAKNGLRSA-N 1 2 247.302 0.935 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000407951924 385125369 /nfs/dbraw/zinc/12/53/69/385125369.db2.gz KUEWSLQOPLOIRS-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000407951924 385125373 /nfs/dbraw/zinc/12/53/73/385125373.db2.gz KUEWSLQOPLOIRS-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C1(C(N)=O)CCC1 ZINC000530875876 385125815 /nfs/dbraw/zinc/12/58/15/385125815.db2.gz JPUAXCGUSUFGJP-UHFFFAOYSA-N 1 2 249.270 0.684 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC000644714645 385130676 /nfs/dbraw/zinc/13/06/76/385130676.db2.gz RUQNZPUXBLWODC-BRPSZJMVSA-N 1 2 239.344 0.771 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC000644714645 385130678 /nfs/dbraw/zinc/13/06/78/385130678.db2.gz RUQNZPUXBLWODC-BRPSZJMVSA-N 1 2 239.344 0.771 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1ncnn1C ZINC000088582924 385131234 /nfs/dbraw/zinc/13/12/34/385131234.db2.gz CUQXORWZKQJJCA-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1ncnn1C ZINC000088582924 385131240 /nfs/dbraw/zinc/13/12/40/385131240.db2.gz CUQXORWZKQJJCA-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2COCCO2)c[nH+]1 ZINC000061680215 385132345 /nfs/dbraw/zinc/13/23/45/385132345.db2.gz WWLACLVITKIJGU-MRVPVSSYSA-N 1 2 223.232 0.018 20 0 BCADLO Cn1nnc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC000644716773 385132516 /nfs/dbraw/zinc/13/25/16/385132516.db2.gz ZUKYPEVQCKOJFU-QWHCGFSZSA-N 1 2 244.298 0.941 20 0 BCADLO Cn1nnc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC000644716773 385132521 /nfs/dbraw/zinc/13/25/21/385132521.db2.gz ZUKYPEVQCKOJFU-QWHCGFSZSA-N 1 2 244.298 0.941 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](O)C1 ZINC000061707828 385134693 /nfs/dbraw/zinc/13/46/93/385134693.db2.gz GFWCMCTXLIELMO-ZETCQYMHSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](O)C1 ZINC000061707828 385134700 /nfs/dbraw/zinc/13/47/00/385134700.db2.gz GFWCMCTXLIELMO-ZETCQYMHSA-N 1 2 215.684 0.640 20 0 BCADLO COc1cc(C)nc(C[NH2+]Cc2cnnn2C)c1 ZINC000342284954 385136340 /nfs/dbraw/zinc/13/63/40/385136340.db2.gz RJTNCMWCGPFKRM-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO COc1cc(C)[nH+]c(CNCc2cnnn2C)c1 ZINC000342284954 385136347 /nfs/dbraw/zinc/13/63/47/385136347.db2.gz RJTNCMWCGPFKRM-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO Cc1cc(N2C[C@H](CO)OC[C@H]2C)nc[nH+]1 ZINC000227393790 385138278 /nfs/dbraw/zinc/13/82/78/385138278.db2.gz JRJPELULDCZOBR-NXEZZACHSA-N 1 2 223.276 0.371 20 0 BCADLO Cn1nnc(C[NH+]2CCC(C3CC3)CC2)n1 ZINC000644718946 385139002 /nfs/dbraw/zinc/13/90/02/385139002.db2.gz NCQCSRIQHUYVND-UHFFFAOYSA-N 1 2 221.308 0.832 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOCCO ZINC000176427595 385086252 /nfs/dbraw/zinc/08/62/52/385086252.db2.gz UOHHMDONGYLLJP-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOCCO ZINC000176427595 385086257 /nfs/dbraw/zinc/08/62/57/385086257.db2.gz UOHHMDONGYLLJP-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000131405694 385086295 /nfs/dbraw/zinc/08/62/95/385086295.db2.gz PSMVVAJXDQIIDA-QMMMGPOBSA-N 1 2 225.317 0.822 20 0 BCADLO C[C@H](C(=O)N(C)Cc1nc[nH]n1)[NH+]1CC(C)C1 ZINC000557680492 385092352 /nfs/dbraw/zinc/09/23/52/385092352.db2.gz FLKZAJZHOZWMKD-SECBINFHSA-N 1 2 237.307 0.103 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000644679010 385093727 /nfs/dbraw/zinc/09/37/27/385093727.db2.gz SAKNCEDTDMQFHU-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000644679010 385093737 /nfs/dbraw/zinc/09/37/37/385093737.db2.gz SAKNCEDTDMQFHU-UHFFFAOYSA-N 1 2 218.264 0.395 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1CCn1cc[nH+]c1 ZINC000407949368 385100222 /nfs/dbraw/zinc/10/02/22/385100222.db2.gz RQHLNBMWGAYZSX-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO CO[C@@H]1C[NH+](CC(=O)OC(C)(C)C)C[C@H]1OC ZINC000313003431 385101517 /nfs/dbraw/zinc/10/15/17/385101517.db2.gz WMYRJCAWNLTCTP-NXEZZACHSA-N 1 2 245.319 0.674 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1Cc1c[nH+]cn1C ZINC000407950002 385102945 /nfs/dbraw/zinc/10/29/45/385102945.db2.gz YDXDFTRGLQTREQ-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000407950066 385104197 /nfs/dbraw/zinc/10/41/97/385104197.db2.gz ZKIOROLWGGMJHN-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO Cn1ncnc1C[N@H+]1CCSC[C@@H]1CCO ZINC000407950066 385104200 /nfs/dbraw/zinc/10/42/00/385104200.db2.gz ZKIOROLWGGMJHN-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000644685341 385105153 /nfs/dbraw/zinc/10/51/53/385105153.db2.gz YBKPLODTYNYGKA-VIFPVBQESA-N 1 2 236.319 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000644685341 385105159 /nfs/dbraw/zinc/10/51/59/385105159.db2.gz YBKPLODTYNYGKA-VIFPVBQESA-N 1 2 236.319 0.885 20 0 BCADLO CNC(=O)NCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000647644673 385184895 /nfs/dbraw/zinc/18/48/95/385184895.db2.gz OLFNZWAJTNKISO-UHFFFAOYSA-N 1 2 247.258 0.202 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC000377679751 385196524 /nfs/dbraw/zinc/19/65/24/385196524.db2.gz OYFKHESBXRKGOG-PSASIEDQSA-N 1 2 238.291 0.056 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC000377679751 385196531 /nfs/dbraw/zinc/19/65/31/385196531.db2.gz OYFKHESBXRKGOG-PSASIEDQSA-N 1 2 238.291 0.056 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000113349264 385147807 /nfs/dbraw/zinc/14/78/07/385147807.db2.gz AFZWKWHDYNAIDP-QMMMGPOBSA-N 1 2 231.321 0.323 20 0 BCADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000361445633 385150279 /nfs/dbraw/zinc/15/02/79/385150279.db2.gz JBQQXTCSQZVIAE-LBPRGKRZSA-N 1 2 235.283 0.751 20 0 BCADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCO ZINC000361445633 385150287 /nfs/dbraw/zinc/15/02/87/385150287.db2.gz JBQQXTCSQZVIAE-LBPRGKRZSA-N 1 2 235.283 0.751 20 0 BCADLO C[C@@H](O)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000129458291 385150742 /nfs/dbraw/zinc/15/07/42/385150742.db2.gz CQPBJUUAICIWDL-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000559759307 385152663 /nfs/dbraw/zinc/15/26/63/385152663.db2.gz RIRNEXPWDAZEHH-UHFFFAOYSA-N 1 2 213.325 0.101 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000559759307 385152665 /nfs/dbraw/zinc/15/26/65/385152665.db2.gz RIRNEXPWDAZEHH-UHFFFAOYSA-N 1 2 213.325 0.101 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1Cc2cccnc2C1 ZINC000559762224 385156862 /nfs/dbraw/zinc/15/68/62/385156862.db2.gz IVBPMOAPHMUNIJ-JTQLQIEISA-N 1 2 203.245 0.286 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1Cc2cccnc2C1 ZINC000559762224 385156867 /nfs/dbraw/zinc/15/68/67/385156867.db2.gz IVBPMOAPHMUNIJ-JTQLQIEISA-N 1 2 203.245 0.286 20 0 BCADLO O=C1NC[C@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000176924642 385158901 /nfs/dbraw/zinc/15/89/01/385158901.db2.gz LGQXNJSGBIBLTD-CMLYIYFCSA-N 1 2 215.684 0.448 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000176924642 385158910 /nfs/dbraw/zinc/15/89/10/385158910.db2.gz LGQXNJSGBIBLTD-CMLYIYFCSA-N 1 2 215.684 0.448 20 0 BCADLO CCN(CC(N)=O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000189693071 385177064 /nfs/dbraw/zinc/17/70/64/385177064.db2.gz ZRHWTJYJDJOUQM-UHFFFAOYSA-N 1 2 246.270 0.282 20 0 BCADLO CC(C)[C@@H](NS(=O)(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000288964929 385180615 /nfs/dbraw/zinc/18/06/15/385180615.db2.gz QEHONPHCXDWKDV-MRVPVSSYSA-N 1 2 246.336 0.503 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000557840768 385207129 /nfs/dbraw/zinc/20/71/29/385207129.db2.gz ZVJZWKPYWXKPOD-SECBINFHSA-N 1 2 237.303 0.935 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969571 385210740 /nfs/dbraw/zinc/21/07/40/385210740.db2.gz SNMAVSAOCHDIDY-LURJTMIESA-N 1 2 240.225 0.249 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccon1 ZINC000308837103 385211358 /nfs/dbraw/zinc/21/13/58/385211358.db2.gz IPZVUGIGNCKNRZ-HTQZYQBOSA-N 1 2 232.305 0.758 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ccn(C)n1 ZINC000647068935 385215634 /nfs/dbraw/zinc/21/56/34/385215634.db2.gz WZTJPOBBDUAGQT-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647075113 385227255 /nfs/dbraw/zinc/22/72/55/385227255.db2.gz BFBAIARTTBUYGW-IUCAKERBSA-N 1 2 225.267 0.920 20 0 BCADLO Cc1cn[nH]c1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000308877681 385242446 /nfs/dbraw/zinc/24/24/46/385242446.db2.gz SRYKTCKSUPWKED-QMMMGPOBSA-N 1 2 231.321 0.241 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000308877681 385242451 /nfs/dbraw/zinc/24/24/51/385242451.db2.gz SRYKTCKSUPWKED-QMMMGPOBSA-N 1 2 231.321 0.241 20 0 BCADLO CO[C@H](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290658582 385254566 /nfs/dbraw/zinc/25/45/66/385254566.db2.gz HBWHYRPWIAACGQ-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@H](C)CO ZINC000152697606 385204564 /nfs/dbraw/zinc/20/45/64/385204564.db2.gz PRQYHKCAUIVZGG-NXEZZACHSA-N 1 2 240.307 0.199 20 0 BCADLO CC[C@](C)([NH2+]CCC(=O)NC)C(=O)OC ZINC000308933420 385304130 /nfs/dbraw/zinc/30/41/30/385304130.db2.gz KFVDNZBVLAXNSY-JTQLQIEISA-N 1 2 216.281 0.054 20 0 BCADLO C[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227841076 385309178 /nfs/dbraw/zinc/30/91/78/385309178.db2.gz RZHSGHKXGHWIPK-SCSAIBSYSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227841076 385309181 /nfs/dbraw/zinc/30/91/81/385309181.db2.gz RZHSGHKXGHWIPK-SCSAIBSYSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000227849398 385259159 /nfs/dbraw/zinc/25/91/59/385259159.db2.gz DHRJAIMQQGGCPH-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO C[C@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000227849398 385259163 /nfs/dbraw/zinc/25/91/63/385259163.db2.gz DHRJAIMQQGGCPH-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO CNC(=O)CN1CCN(c2cccc(C)[nH+]2)CC1 ZINC000166677874 385271068 /nfs/dbraw/zinc/27/10/68/385271068.db2.gz MOPIMSFRVKMLND-UHFFFAOYSA-N 1 2 248.330 0.258 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@@H]1c1ccccc1 ZINC000034263499 385276077 /nfs/dbraw/zinc/27/60/77/385276077.db2.gz BYUTUHFMEWRMGB-LLVKDONJSA-N 1 2 220.272 0.152 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@@H]1c1ccccc1 ZINC000034263499 385276086 /nfs/dbraw/zinc/27/60/86/385276086.db2.gz BYUTUHFMEWRMGB-LLVKDONJSA-N 1 2 220.272 0.152 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000364232358 385277273 /nfs/dbraw/zinc/27/72/73/385277273.db2.gz YPHLWQHVOLDXTH-WDEREUQCSA-N 1 2 236.319 0.959 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000364232358 385277277 /nfs/dbraw/zinc/27/72/77/385277277.db2.gz YPHLWQHVOLDXTH-WDEREUQCSA-N 1 2 236.319 0.959 20 0 BCADLO CCOC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000558054797 385293165 /nfs/dbraw/zinc/29/31/65/385293165.db2.gz JCZAVUMVFUMJPM-UHFFFAOYSA-N 1 2 237.303 0.935 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ncn(C)n1 ZINC000308925076 385297495 /nfs/dbraw/zinc/29/74/95/385297495.db2.gz DBHHZTYCKHVRKT-BDAKNGLRSA-N 1 2 210.281 0.645 20 0 BCADLO CN1CC[N@H+](CCOC2CCC2)CC1=O ZINC000558094976 385298928 /nfs/dbraw/zinc/29/89/28/385298928.db2.gz DRVVKOXULMVBKY-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CN1CC[N@@H+](CCOC2CCC2)CC1=O ZINC000558094976 385298935 /nfs/dbraw/zinc/29/89/35/385298935.db2.gz DRVVKOXULMVBKY-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000407993921 385330276 /nfs/dbraw/zinc/33/02/76/385330276.db2.gz WNOXBFICAUNHBK-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOC(C)C ZINC000109760734 385331321 /nfs/dbraw/zinc/33/13/21/385331321.db2.gz IQUQHCGCRQAGMW-ZJUUUORDSA-N 1 2 231.292 0.020 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOC(C)C ZINC000109760734 385331325 /nfs/dbraw/zinc/33/13/25/385331325.db2.gz IQUQHCGCRQAGMW-ZJUUUORDSA-N 1 2 231.292 0.020 20 0 BCADLO Cn1cc(Cl)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000178209969 385345774 /nfs/dbraw/zinc/34/57/74/385345774.db2.gz IZYDKDNYNASFLU-JTQLQIEISA-N 1 2 241.722 0.999 20 0 BCADLO Cn1cc(Cl)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000178209969 385345778 /nfs/dbraw/zinc/34/57/78/385345778.db2.gz IZYDKDNYNASFLU-JTQLQIEISA-N 1 2 241.722 0.999 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368667437 385389551 /nfs/dbraw/zinc/38/95/51/385389551.db2.gz RPMYIPZXRJOXIX-HOSYDEDBSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368667437 385389554 /nfs/dbraw/zinc/38/95/54/385389554.db2.gz RPMYIPZXRJOXIX-HOSYDEDBSA-N 1 2 248.330 0.804 20 0 BCADLO Nc1[nH+]cnc(NC[C@]2(O)CCOC2)c1Cl ZINC000192346979 385353226 /nfs/dbraw/zinc/35/32/26/385353226.db2.gz HDNIPYDGRPDCDI-SECBINFHSA-N 1 2 244.682 0.276 20 0 BCADLO Nc1nc[nH+]c(NC[C@]2(O)CCOC2)c1Cl ZINC000192346979 385353232 /nfs/dbraw/zinc/35/32/32/385353232.db2.gz HDNIPYDGRPDCDI-SECBINFHSA-N 1 2 244.682 0.276 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368667439 385389657 /nfs/dbraw/zinc/38/96/57/385389657.db2.gz RPMYIPZXRJOXIX-NHCYSSNCSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368667439 385389659 /nfs/dbraw/zinc/38/96/59/385389659.db2.gz RPMYIPZXRJOXIX-NHCYSSNCSA-N 1 2 248.330 0.804 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000168336065 385358164 /nfs/dbraw/zinc/35/81/64/385358164.db2.gz IMUUBIWMPMIUJA-BDAKNGLRSA-N 1 2 203.282 0.953 20 0 BCADLO CC(=O)NCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178391190 385365202 /nfs/dbraw/zinc/36/52/02/385365202.db2.gz XFDNUHDLYSXAKT-UHFFFAOYSA-N 1 2 246.270 0.087 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)O ZINC000192694301 385368146 /nfs/dbraw/zinc/36/81/46/385368146.db2.gz PHQHAFRAYPAJLM-ZWNOBZJWSA-N 1 2 249.310 0.967 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)O ZINC000192694301 385368149 /nfs/dbraw/zinc/36/81/49/385368149.db2.gz PHQHAFRAYPAJLM-ZWNOBZJWSA-N 1 2 249.310 0.967 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000155074251 385374229 /nfs/dbraw/zinc/37/42/29/385374229.db2.gz BDMXCJODJOXRCL-SECBINFHSA-N 1 2 222.292 0.415 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000155074251 385374231 /nfs/dbraw/zinc/37/42/31/385374231.db2.gz BDMXCJODJOXRCL-SECBINFHSA-N 1 2 222.292 0.415 20 0 BCADLO COC(=O)[C@H](CF)NCc1c[nH+]cn1C ZINC000308971776 385328577 /nfs/dbraw/zinc/32/85/77/385328577.db2.gz ZYQDSMKMMUVZIS-QMMMGPOBSA-N 1 2 215.228 0.021 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)oc1C ZINC000193644669 385403409 /nfs/dbraw/zinc/40/34/09/385403409.db2.gz JYKPENGTPPPDBB-WRWORJQWSA-N 1 2 237.303 0.906 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC000492763010 385426829 /nfs/dbraw/zinc/42/68/29/385426829.db2.gz IOSNAAMKTFEUBW-XOULXFPDSA-N 1 2 221.260 0.718 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000170234166 385426054 /nfs/dbraw/zinc/42/60/54/385426054.db2.gz DPJWTWQGTRFSFP-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO CC(C)c1nc(N[C@H](C)C(N)=O)cc[nH+]1 ZINC000110395103 385415627 /nfs/dbraw/zinc/41/56/27/385415627.db2.gz SJYYTMDWRPAWGL-SSDOTTSWSA-N 1 2 208.265 0.886 20 0 BCADLO CC[N@H+](CCOCCO)CC(=O)OC(C)(C)C ZINC000336711177 385417080 /nfs/dbraw/zinc/41/70/80/385417080.db2.gz PMFGAGULQBTUQZ-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO CC[N@@H+](CCOCCO)CC(=O)OC(C)(C)C ZINC000336711177 385417084 /nfs/dbraw/zinc/41/70/84/385417084.db2.gz PMFGAGULQBTUQZ-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N(CCO)C1CC1 ZINC000178804932 385419518 /nfs/dbraw/zinc/41/95/18/385419518.db2.gz TXFGYKCJCVIPDZ-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000179127745 385443892 /nfs/dbraw/zinc/44/38/92/385443892.db2.gz OKEWRJPZTSMFFG-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1ncnn1C ZINC000179127745 385443895 /nfs/dbraw/zinc/44/38/95/385443895.db2.gz OKEWRJPZTSMFFG-SECBINFHSA-N 1 2 238.291 0.343 20 0 BCADLO Cc1nc(C[N@@H+](CCOCCO)C(C)C)no1 ZINC000336717662 385446313 /nfs/dbraw/zinc/44/63/13/385446313.db2.gz UREAGFHUZJNNRR-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO Cc1nc(C[N@H+](CCOCCO)C(C)C)no1 ZINC000336717662 385446316 /nfs/dbraw/zinc/44/63/16/385446316.db2.gz UREAGFHUZJNNRR-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000309141311 385433382 /nfs/dbraw/zinc/43/33/82/385433382.db2.gz HDWCZUFLUOAVOV-DTWKUNHWSA-N 1 2 233.333 0.660 20 0 BCADLO COCc1noc(C[NH2+]C(C)(C)COC)n1 ZINC000182215444 385434438 /nfs/dbraw/zinc/43/44/38/385434438.db2.gz WUVNGBJXYSJCLF-UHFFFAOYSA-N 1 2 229.280 0.731 20 0 BCADLO CC[C@@H](CSC)[N@H+](C)Cc1nnn(C)n1 ZINC000194450209 385435786 /nfs/dbraw/zinc/43/57/86/385435786.db2.gz CLNNSRJCDDGPEK-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@@H](CSC)[N@@H+](C)Cc1nnn(C)n1 ZINC000194450209 385435790 /nfs/dbraw/zinc/43/57/90/385435790.db2.gz CLNNSRJCDDGPEK-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO Cc1nnsc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492799735 385436957 /nfs/dbraw/zinc/43/69/57/385436957.db2.gz NJQFBERUDSAWKE-NSCUHMNNSA-N 1 2 249.299 0.899 20 0 BCADLO Cc1[nH]ncc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179550694 385471960 /nfs/dbraw/zinc/47/19/60/385471960.db2.gz HFRRTQHYYHXAJW-GFCCVEGCSA-N 1 2 220.320 0.998 20 0 BCADLO Cc1[nH]ncc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179550694 385471964 /nfs/dbraw/zinc/47/19/64/385471964.db2.gz HFRRTQHYYHXAJW-GFCCVEGCSA-N 1 2 220.320 0.998 20 0 BCADLO COC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000309196083 385460347 /nfs/dbraw/zinc/46/03/47/385460347.db2.gz QNQQWOLENVSWAW-WDEREUQCSA-N 1 2 213.277 0.707 20 0 BCADLO COC[C@](C)([NH2+]CCCF)C(=O)OC ZINC000182610630 385460224 /nfs/dbraw/zinc/46/02/24/385460224.db2.gz CJMICWNLANFODD-VIFPVBQESA-N 1 2 207.245 0.514 20 0 BCADLO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)o1 ZINC000179833116 385494673 /nfs/dbraw/zinc/49/46/73/385494673.db2.gz LAOIEWXQTPCWLG-UHFFFAOYSA-N 1 2 237.303 0.191 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCN(C)C1=O ZINC000179865771 385496074 /nfs/dbraw/zinc/49/60/74/385496074.db2.gz POPIUECNPGKIOO-SNVBAGLBSA-N 1 2 248.286 0.742 20 0 BCADLO O=S1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000111222343 385496300 /nfs/dbraw/zinc/49/63/00/385496300.db2.gz TZJIALCRSDRTMW-UHFFFAOYSA-N 1 2 249.339 0.899 20 0 BCADLO CC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000309249910 385499740 /nfs/dbraw/zinc/49/97/40/385499740.db2.gz ZXFIXBUNAZYFFE-QMMMGPOBSA-N 1 2 213.281 0.974 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)C[C@H](C)O)nn1 ZINC000361010635 385506288 /nfs/dbraw/zinc/50/62/88/385506288.db2.gz QJDZCQIGGGDMNA-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cc(C[N@H+](C)C[C@H](C)O)nn1 ZINC000361010635 385506290 /nfs/dbraw/zinc/50/62/90/385506290.db2.gz QJDZCQIGGGDMNA-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)[nH]1 ZINC000157682907 385514789 /nfs/dbraw/zinc/51/47/89/385514789.db2.gz OKAYPUGREKJPES-MRVPVSSYSA-N 1 2 238.291 0.362 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C(=O)OC)C2)[nH]1 ZINC000157682907 385514791 /nfs/dbraw/zinc/51/47/91/385514791.db2.gz OKAYPUGREKJPES-MRVPVSSYSA-N 1 2 238.291 0.362 20 0 BCADLO C[C@@H]([NH2+]Cc1cscn1)C(=O)NCCF ZINC000282188034 385516733 /nfs/dbraw/zinc/51/67/33/385516733.db2.gz BGFRIKJIOSGNDV-SSDOTTSWSA-N 1 2 231.296 0.707 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@@H](C)O)CC2)[nH]1 ZINC000309326781 385530930 /nfs/dbraw/zinc/53/09/30/385530930.db2.gz IFLKXTVKNBYISC-MRVPVSSYSA-N 1 2 224.308 0.706 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361063233 385539070 /nfs/dbraw/zinc/53/90/70/385539070.db2.gz YSYCSRIQOZDZRW-SECBINFHSA-N 1 2 245.273 0.870 20 0 BCADLO Cn1nccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361063233 385539073 /nfs/dbraw/zinc/53/90/73/385539073.db2.gz YSYCSRIQOZDZRW-SECBINFHSA-N 1 2 245.273 0.870 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C=Cc1c[nH]cn1 ZINC000493164866 385541762 /nfs/dbraw/zinc/54/17/62/385541762.db2.gz WJKBOOIQSBRDRH-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@H]1CC1(C)C ZINC000309309683 385525275 /nfs/dbraw/zinc/52/52/75/385525275.db2.gz WPSHJGIOXWZZDT-LURJTMIESA-N 1 2 222.296 0.266 20 0 BCADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@H]1CC1(C)C ZINC000309309683 385525277 /nfs/dbraw/zinc/52/52/77/385525277.db2.gz WPSHJGIOXWZZDT-LURJTMIESA-N 1 2 222.296 0.266 20 0 BCADLO COCc1nsc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000643030558 385525637 /nfs/dbraw/zinc/52/56/37/385525637.db2.gz ZDQZEAKNNXVDIX-YUMQZZPRSA-N 1 2 242.348 0.788 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000309413230 385574001 /nfs/dbraw/zinc/57/40/01/385574001.db2.gz CCVCUTCFPBPCIP-AEJSXWLSSA-N 1 2 231.292 0.332 20 0 BCADLO Cc1cc(N2CC(n3ccnn3)C2)nc[nH+]1 ZINC000408154509 385574601 /nfs/dbraw/zinc/57/46/01/385574601.db2.gz PKBBSCAVIXUCIG-UHFFFAOYSA-N 1 2 216.248 0.438 20 0 BCADLO C([NH2+]C1COC1)c1nnc2n1CCCCC2 ZINC000309414702 385575181 /nfs/dbraw/zinc/57/51/81/385575181.db2.gz YPECRJJKAGIWJR-UHFFFAOYSA-N 1 2 222.292 0.493 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CC[C@H](C)O)C1CC1 ZINC000591022510 385551239 /nfs/dbraw/zinc/55/12/39/385551239.db2.gz ITEVJFZFMYSZBT-KWQFWETISA-N 1 2 215.293 0.689 20 0 BCADLO CCNC(=O)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493207580 385555236 /nfs/dbraw/zinc/55/52/36/385555236.db2.gz YXAQKRIWPYBRNK-PULIVWKDSA-N 1 2 236.275 0.064 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](O)CC1 ZINC000493324249 385563478 /nfs/dbraw/zinc/56/34/78/385563478.db2.gz QVSVNFLMYNFERZ-XOULXFPDSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC000408153815 385573760 /nfs/dbraw/zinc/57/37/60/385573760.db2.gz FYUZSXOAEMDHMB-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC000408153815 385573764 /nfs/dbraw/zinc/57/37/64/385573764.db2.gz FYUZSXOAEMDHMB-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)C2CCCC2)C[NH2+]1 ZINC000365100126 385600332 /nfs/dbraw/zinc/60/03/32/385600332.db2.gz NOLOPIKTWQFTNR-VHSXEESVSA-N 1 2 240.303 0.196 20 0 BCADLO COC[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000280767757 385601159 /nfs/dbraw/zinc/60/11/59/385601159.db2.gz HANABYVPCWKJJP-JTQLQIEISA-N 1 2 239.275 0.519 20 0 BCADLO COC[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000269543540 385603314 /nfs/dbraw/zinc/60/33/14/385603314.db2.gz MEYGXMIKUKKBBV-SNVBAGLBSA-N 1 2 249.270 0.071 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000269542430 385605037 /nfs/dbraw/zinc/60/50/37/385605037.db2.gz BILBVYFCFYJTSH-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccncc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000269542430 385605042 /nfs/dbraw/zinc/60/50/42/385605042.db2.gz BILBVYFCFYJTSH-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC000408165084 385586541 /nfs/dbraw/zinc/58/65/41/385586541.db2.gz KVHUOCCTXUNDGK-SNVBAGLBSA-N 1 2 237.303 0.572 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC000408165084 385586546 /nfs/dbraw/zinc/58/65/46/385586546.db2.gz KVHUOCCTXUNDGK-SNVBAGLBSA-N 1 2 237.303 0.572 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000408165082 385586588 /nfs/dbraw/zinc/58/65/88/385586588.db2.gz KVHUOCCTXUNDGK-JTQLQIEISA-N 1 2 237.303 0.572 20 0 BCADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000408165082 385586593 /nfs/dbraw/zinc/58/65/93/385586593.db2.gz KVHUOCCTXUNDGK-JTQLQIEISA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](CCCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493644680 385589049 /nfs/dbraw/zinc/58/90/49/385589049.db2.gz NXQVNVWLQFPSRP-ORAHPGNNSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1ccoc1C(=O)N1CC[NH+](C)CC1 ZINC000054455491 385590156 /nfs/dbraw/zinc/59/01/56/385590156.db2.gz BPQKSNYRZRGRDJ-UHFFFAOYSA-N 1 2 208.261 0.976 20 0 BCADLO Cn1ccnc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000309490544 385619774 /nfs/dbraw/zinc/61/97/74/385619774.db2.gz IJOFATVCEWARCX-ZETCQYMHSA-N 1 2 237.225 0.823 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000269665778 385620212 /nfs/dbraw/zinc/62/02/12/385620212.db2.gz PXZYPTNIXHEYIS-QMMMGPOBSA-N 1 2 236.275 0.054 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000269665778 385620217 /nfs/dbraw/zinc/62/02/17/385620217.db2.gz PXZYPTNIXHEYIS-QMMMGPOBSA-N 1 2 236.275 0.054 20 0 BCADLO C[C@H](O)CCNc1[nH+]cnc(-n2cccn2)c1N ZINC000269662493 385621766 /nfs/dbraw/zinc/62/17/66/385621766.db2.gz WSAAIZZHYSTSHP-QMMMGPOBSA-N 1 2 248.290 0.427 20 0 BCADLO COC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000269733704 385631352 /nfs/dbraw/zinc/63/13/52/385631352.db2.gz WXXGMVRCBRWSPX-JTQLQIEISA-N 1 2 223.276 0.873 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000281068444 385631874 /nfs/dbraw/zinc/63/18/74/385631874.db2.gz ZSFVEVQVFMGJIF-SECBINFHSA-N 1 2 209.249 0.451 20 0 BCADLO CC(C)[C@@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000269731159 385632725 /nfs/dbraw/zinc/63/27/25/385632725.db2.gz XPZIFNMSFJQKHZ-JTQLQIEISA-N 1 2 239.319 0.786 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000647711192 385607378 /nfs/dbraw/zinc/60/73/78/385607378.db2.gz WOFWRXGIHIDDKL-ZJUUUORDSA-N 1 2 248.330 0.650 20 0 BCADLO CC[C@H]1C[N@H+](Cc2csnn2)C[C@@H]1O ZINC000306895956 385640067 /nfs/dbraw/zinc/64/00/67/385640067.db2.gz OIOOFEIWINXLEB-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2csnn2)C[C@@H]1O ZINC000306895956 385640077 /nfs/dbraw/zinc/64/00/77/385640077.db2.gz OIOOFEIWINXLEB-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(CC(N)=O)C1 ZINC000281212034 385643649 /nfs/dbraw/zinc/64/36/49/385643649.db2.gz ZUHHMBHFTFLFKO-UHFFFAOYSA-N 1 2 248.286 0.729 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000337416778 385645640 /nfs/dbraw/zinc/64/56/40/385645640.db2.gz RVEDVCHWQCYZSJ-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000337416778 385645643 /nfs/dbraw/zinc/64/56/43/385645643.db2.gz RVEDVCHWQCYZSJ-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO Cc1nnccc1C(=O)N1CC[NH+](C)CC1 ZINC000269887074 385645665 /nfs/dbraw/zinc/64/56/65/385645665.db2.gz KOXRHUXWMGCYHT-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO CCc1cccnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000269952373 385652566 /nfs/dbraw/zinc/65/25/66/385652566.db2.gz YLMKJKOOADMSJJ-NSHDSACASA-N 1 2 249.314 0.913 20 0 BCADLO CCc1cccnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000269952373 385652572 /nfs/dbraw/zinc/65/25/72/385652572.db2.gz YLMKJKOOADMSJJ-NSHDSACASA-N 1 2 249.314 0.913 20 0 BCADLO COC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000309520754 385657973 /nfs/dbraw/zinc/65/79/73/385657973.db2.gz AMLANKJYDKFYSI-VWYCJHECSA-N 1 2 227.304 0.953 20 0 BCADLO Cn1nncc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000408207331 385660069 /nfs/dbraw/zinc/66/00/69/385660069.db2.gz HGZYYKDBHJOKBH-NSHDSACASA-N 1 2 237.307 0.045 20 0 BCADLO Cn1nncc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000408207331 385660073 /nfs/dbraw/zinc/66/00/73/385660073.db2.gz HGZYYKDBHJOKBH-NSHDSACASA-N 1 2 237.307 0.045 20 0 BCADLO CCCCN1CC(=O)N[C@H]1c1c[nH+]cn1C ZINC000270139445 385676107 /nfs/dbraw/zinc/67/61/07/385676107.db2.gz RCZGCSNMLCHLEJ-LLVKDONJSA-N 1 2 222.292 0.651 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCS(C)(=O)=O ZINC000337470222 385676656 /nfs/dbraw/zinc/67/66/56/385676656.db2.gz VVQIBSUKCNZTOI-UHFFFAOYSA-N 1 2 242.300 0.185 20 0 BCADLO Cn1nnc(C[N@H+](C)C2Cc3ccccc3C2)n1 ZINC000281504859 385676675 /nfs/dbraw/zinc/67/66/75/385676675.db2.gz RVAOFHSHWNSGKG-UHFFFAOYSA-N 1 2 243.314 0.809 20 0 BCADLO Cn1nnc(C[N@@H+](C)C2Cc3ccccc3C2)n1 ZINC000281504859 385676681 /nfs/dbraw/zinc/67/66/81/385676681.db2.gz RVAOFHSHWNSGKG-UHFFFAOYSA-N 1 2 243.314 0.809 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000309536052 385677068 /nfs/dbraw/zinc/67/70/68/385677068.db2.gz FAPTWNRUJHUZGE-INEUFUBQSA-N 1 2 239.197 0.952 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000270152404 385677492 /nfs/dbraw/zinc/67/74/92/385677492.db2.gz VUGXQEYWCFMQER-SECBINFHSA-N 1 2 248.290 0.667 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(c2nccs2)CC1 ZINC000060059677 385681141 /nfs/dbraw/zinc/68/11/41/385681141.db2.gz ILRUBHBWTFTHTH-QMMMGPOBSA-N 1 2 240.332 0.139 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000308983697 385681724 /nfs/dbraw/zinc/68/17/24/385681724.db2.gz FXTVDOIISUXFDI-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000308983697 385681728 /nfs/dbraw/zinc/68/17/28/385681728.db2.gz FXTVDOIISUXFDI-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO C[C@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000645225316 385692356 /nfs/dbraw/zinc/69/23/56/385692356.db2.gz GGVADDUEINCUHJ-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000645225316 385692359 /nfs/dbraw/zinc/69/23/59/385692359.db2.gz GGVADDUEINCUHJ-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO COCC[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000281736397 385697367 /nfs/dbraw/zinc/69/73/67/385697367.db2.gz DBHLPDLHGDBDLG-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO COCC[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000281736397 385697370 /nfs/dbraw/zinc/69/73/70/385697370.db2.gz DBHLPDLHGDBDLG-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)[C@@H](C)CO)c[nH+]1 ZINC000270348160 385697599 /nfs/dbraw/zinc/69/75/99/385697599.db2.gz VTIRORDTWSFKAW-NKWVEPMBSA-N 1 2 211.265 0.465 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N(CCO)C1CCC1 ZINC000281801482 385703633 /nfs/dbraw/zinc/70/36/33/385703633.db2.gz JUQZRTKVOXEGTF-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N(CCO)C1CCC1 ZINC000281801482 385703638 /nfs/dbraw/zinc/70/36/38/385703638.db2.gz JUQZRTKVOXEGTF-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO c1cc(CN2CCn3c[nH+]cc3C2)no1 ZINC000647939692 385705804 /nfs/dbraw/zinc/70/58/04/385705804.db2.gz XLCVYXBHZGZKND-UHFFFAOYSA-N 1 2 204.233 0.887 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000184737609 385708835 /nfs/dbraw/zinc/70/88/35/385708835.db2.gz YJPONFHBNNULTJ-BDAKNGLRSA-N 1 2 231.292 0.727 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000184737627 385708983 /nfs/dbraw/zinc/70/89/83/385708983.db2.gz YJPONFHBNNULTJ-RKDXNWHRSA-N 1 2 231.292 0.727 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1SCCS1 ZINC000270502707 385711764 /nfs/dbraw/zinc/71/17/64/385711764.db2.gz MVZQOGYQPUAYPK-UHFFFAOYSA-N 1 2 243.357 0.842 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000307362562 385715353 /nfs/dbraw/zinc/71/53/53/385715353.db2.gz IUPXHSMCZJPFLI-RQJHMYQMSA-N 1 2 213.310 0.194 20 0 BCADLO Cn1cc[nH+]c1CN=c1ncnc2[nH][nH]cc1-2 ZINC000337626971 385729684 /nfs/dbraw/zinc/72/96/84/385729684.db2.gz VQRABFZHKBLWJT-UHFFFAOYSA-N 1 2 229.247 0.072 20 0 BCADLO Cc1nsc(N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000336691936 385729984 /nfs/dbraw/zinc/72/99/84/385729984.db2.gz KVSMHDCIKCRUJK-MRVPVSSYSA-N 1 2 235.316 0.892 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396002 385731618 /nfs/dbraw/zinc/73/16/18/385731618.db2.gz UHGUMLFCLVTYIY-SECBINFHSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396002 385731620 /nfs/dbraw/zinc/73/16/20/385731620.db2.gz UHGUMLFCLVTYIY-SECBINFHSA-N 1 2 211.265 0.582 20 0 BCADLO COC(=O)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000212648379 385733332 /nfs/dbraw/zinc/73/33/32/385733332.db2.gz MBSPQMXPNQWBND-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO Nc1ccnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000309604756 385737817 /nfs/dbraw/zinc/73/78/17/385737817.db2.gz KXKNOKMDTGHKJT-QMMMGPOBSA-N 1 2 220.276 0.016 20 0 BCADLO Nc1ccnc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000309604756 385737819 /nfs/dbraw/zinc/73/78/19/385737819.db2.gz KXKNOKMDTGHKJT-QMMMGPOBSA-N 1 2 220.276 0.016 20 0 BCADLO Cc1cc[nH+]c(NC[C@H](O)CO)c1Cl ZINC000307621450 385738561 /nfs/dbraw/zinc/73/85/61/385738561.db2.gz GGFQGZNBWPINLY-ZETCQYMHSA-N 1 2 216.668 0.809 20 0 BCADLO O=C1C[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000270763127 385739573 /nfs/dbraw/zinc/73/95/73/385739573.db2.gz GAJUSCAWJPOVEZ-YPMHNXCESA-N 1 2 232.283 0.077 20 0 BCADLO O=C1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000270763127 385739577 /nfs/dbraw/zinc/73/95/77/385739577.db2.gz GAJUSCAWJPOVEZ-YPMHNXCESA-N 1 2 232.283 0.077 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2cnn[nH]2)[nH]1 ZINC000398301937 385748724 /nfs/dbraw/zinc/74/87/24/385748724.db2.gz RSENPJDZSSVTMY-UHFFFAOYSA-N 1 2 235.247 0.209 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000270841487 385751770 /nfs/dbraw/zinc/75/17/70/385751770.db2.gz VTCRPPDUSIAJHY-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000270841487 385751773 /nfs/dbraw/zinc/75/17/73/385751773.db2.gz VTCRPPDUSIAJHY-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)CCOCCO ZINC000282475902 385765908 /nfs/dbraw/zinc/76/59/08/385765908.db2.gz LZYGBBVSDMULMT-UHFFFAOYSA-N 1 2 240.303 0.149 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)CCOCCO ZINC000282475902 385765910 /nfs/dbraw/zinc/76/59/10/385765910.db2.gz LZYGBBVSDMULMT-UHFFFAOYSA-N 1 2 240.303 0.149 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)CC(C)C)c[nH+]1 ZINC000271012483 385769558 /nfs/dbraw/zinc/76/95/58/385769558.db2.gz IIEKHQLEJKNHGT-SECBINFHSA-N 1 2 225.292 0.855 20 0 BCADLO Cc1ccsc1C[N@@H+]1CCNC(=O)C1 ZINC000271030491 385773017 /nfs/dbraw/zinc/77/30/17/385773017.db2.gz YMPVXHGMMKFCTM-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO Cc1ccsc1C[N@H+]1CCNC(=O)C1 ZINC000271030491 385773019 /nfs/dbraw/zinc/77/30/19/385773019.db2.gz YMPVXHGMMKFCTM-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)Cc1cccnc1 ZINC000271057239 385777465 /nfs/dbraw/zinc/77/74/65/385777465.db2.gz ZTCFNQZGZDVLFQ-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)Cc1cccnc1 ZINC000271057239 385777469 /nfs/dbraw/zinc/77/74/69/385777469.db2.gz ZTCFNQZGZDVLFQ-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CCCn1nc(C)c(C[N@H+](C)CC(N)=O)c1C ZINC000271055318 385778377 /nfs/dbraw/zinc/77/83/77/385778377.db2.gz SOVMFBBSLVVAPJ-UHFFFAOYSA-N 1 2 238.335 0.827 20 0 BCADLO CCCn1nc(C)c(C[N@@H+](C)CC(N)=O)c1C ZINC000271055318 385778386 /nfs/dbraw/zinc/77/83/86/385778386.db2.gz SOVMFBBSLVVAPJ-UHFFFAOYSA-N 1 2 238.335 0.827 20 0 BCADLO Cn1cccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282707617 385780567 /nfs/dbraw/zinc/78/05/67/385780567.db2.gz KKYIRRFFLWYEKK-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1cccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282707617 385780572 /nfs/dbraw/zinc/78/05/72/385780572.db2.gz KKYIRRFFLWYEKK-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO CN(Cc1nc[nH]n1)c1[nH+]cnc2c1cnn2C ZINC000337784680 385783441 /nfs/dbraw/zinc/78/34/41/385783441.db2.gz AKTDKFMZMNGPJE-UHFFFAOYSA-N 1 2 244.262 0.118 20 0 BCADLO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336737535 385802136 /nfs/dbraw/zinc/80/21/36/385802136.db2.gz JMOJJGPUBCFSRF-XCBNKYQSSA-N 1 2 226.280 0.151 20 0 BCADLO CO[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283294722 385815943 /nfs/dbraw/zinc/81/59/43/385815943.db2.gz XCDXFLRQQYDVCU-MPJRPATESA-N 1 2 209.249 0.574 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000602772623 385820829 /nfs/dbraw/zinc/82/08/29/385820829.db2.gz VROXCOBMRMNMSZ-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000602772623 385820831 /nfs/dbraw/zinc/82/08/31/385820831.db2.gz VROXCOBMRMNMSZ-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C=Cc1c[nH]cn1 ZINC000283521468 385821097 /nfs/dbraw/zinc/82/10/97/385821097.db2.gz QQSUUOCGSQXYGN-PBKGFPTLSA-N 1 2 245.286 0.824 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCCNC1=O ZINC000283548063 385822669 /nfs/dbraw/zinc/82/26/69/385822669.db2.gz SWDITYZOTLVMHS-YEZKRMTDSA-N 1 2 248.286 0.208 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nccn1C ZINC000231842265 385823139 /nfs/dbraw/zinc/82/31/39/385823139.db2.gz CCCPZMKRSCWOPW-VIFPVBQESA-N 1 2 224.308 0.377 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644835031 385823367 /nfs/dbraw/zinc/82/33/67/385823367.db2.gz ISXFFWNQPWGNDC-VHSXEESVSA-N 1 2 235.287 0.351 20 0 BCADLO COCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493458721 533145959 /nfs/dbraw/zinc/14/59/59/533145959.db2.gz GKVVRWLLUWMJMP-NSCUHMNNSA-N 1 2 221.260 0.718 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000095020640 385832165 /nfs/dbraw/zinc/83/21/65/385832165.db2.gz GHPQJWLXVRUSMC-VIFPVBQESA-N 1 2 221.260 0.472 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000095020640 385832169 /nfs/dbraw/zinc/83/21/69/385832169.db2.gz GHPQJWLXVRUSMC-VIFPVBQESA-N 1 2 221.260 0.472 20 0 BCADLO C[C@@H](C[NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000262056206 385834976 /nfs/dbraw/zinc/83/49/76/385834976.db2.gz HYTLMXFHYOWQCO-LURJTMIESA-N 1 2 219.248 0.491 20 0 BCADLO Cc1cn2cc(NC(=O)C(=O)N(C)C)ccc2[nH+]1 ZINC000271568854 385839028 /nfs/dbraw/zinc/83/90/28/385839028.db2.gz FOOZNXRRWOXDKO-UHFFFAOYSA-N 1 2 246.270 0.669 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cn1 ZINC000414577514 385846212 /nfs/dbraw/zinc/84/62/12/385846212.db2.gz HHHZDIOGJPMBBF-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)cn1 ZINC000414577514 385846213 /nfs/dbraw/zinc/84/62/13/385846213.db2.gz HHHZDIOGJPMBBF-JQWIXIFHSA-N 1 2 239.319 0.485 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331686190 385846574 /nfs/dbraw/zinc/84/65/74/385846574.db2.gz RLGLRUNIYZWVHX-SECBINFHSA-N 1 2 209.249 0.451 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331686190 385846577 /nfs/dbraw/zinc/84/65/77/385846577.db2.gz RLGLRUNIYZWVHX-SECBINFHSA-N 1 2 209.249 0.451 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@H]1O ZINC000284041005 385846752 /nfs/dbraw/zinc/84/67/52/385846752.db2.gz PVSFQXDNNHEQGT-ANNNZRCOSA-N 1 2 235.287 0.700 20 0 BCADLO COCCn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000123064196 385853377 /nfs/dbraw/zinc/85/33/77/385853377.db2.gz MVQHYFGMEBSYJA-UHFFFAOYSA-N 1 2 221.264 0.865 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000294024741 385788499 /nfs/dbraw/zinc/78/84/99/385788499.db2.gz VCOIEIRKGBCLRG-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000294024741 385788501 /nfs/dbraw/zinc/78/85/01/385788501.db2.gz VCOIEIRKGBCLRG-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC1(C)COC1 ZINC000636727143 385792283 /nfs/dbraw/zinc/79/22/83/385792283.db2.gz TUIFWSIVBJMLSU-UHFFFAOYSA-N 1 2 224.264 0.008 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000271146532 385793687 /nfs/dbraw/zinc/79/36/87/385793687.db2.gz RVCIMAIJKMMMBQ-SECBINFHSA-N 1 2 248.286 0.742 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)C(C)C)c[nH+]1 ZINC000272254675 385888079 /nfs/dbraw/zinc/88/80/79/385888079.db2.gz ZUAZBNIDUBXMML-SECBINFHSA-N 1 2 211.265 0.465 20 0 BCADLO C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)[nH+]c2)C1=O ZINC000272305072 385891767 /nfs/dbraw/zinc/89/17/67/385891767.db2.gz QWPBNLLBBIMTPF-QMMMGPOBSA-N 1 2 248.286 0.588 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+](C)Cc1ccco1 ZINC000285132532 385901567 /nfs/dbraw/zinc/90/15/67/385901567.db2.gz JKUIKOIINDRERB-UHFFFAOYSA-N 1 2 246.332 0.603 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1ccco1 ZINC000285132532 385901570 /nfs/dbraw/zinc/90/15/70/385901570.db2.gz JKUIKOIINDRERB-UHFFFAOYSA-N 1 2 246.332 0.603 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000308886269 385904469 /nfs/dbraw/zinc/90/44/69/385904469.db2.gz PXWRNHZREJCHAL-KNVOCYPGSA-N 1 2 207.281 0.854 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)[C@H](C)C2)[nH+]1 ZINC000308886269 385904471 /nfs/dbraw/zinc/90/44/71/385904471.db2.gz PXWRNHZREJCHAL-KNVOCYPGSA-N 1 2 207.281 0.854 20 0 BCADLO O=S(=O)(CCC1CC1)NCc1[nH]cc[nH+]1 ZINC000308887315 385904908 /nfs/dbraw/zinc/90/49/08/385904908.db2.gz QCRNQXDEDJEFDG-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO Cc1nc(NC2(CO)CCC2)nc(N)[nH+]1 ZINC000308900133 385905001 /nfs/dbraw/zinc/90/50/01/385905001.db2.gz UEAXVUKMCFMKAT-UHFFFAOYSA-N 1 2 209.253 0.089 20 0 BCADLO Cc1nc(N)nc(NC2(CO)CCC2)[nH+]1 ZINC000308900133 385905003 /nfs/dbraw/zinc/90/50/03/385905003.db2.gz UEAXVUKMCFMKAT-UHFFFAOYSA-N 1 2 209.253 0.089 20 0 BCADLO CC(C)(C(=O)N1CC[C@H](O)C1)c1c[nH+]c[nH]1 ZINC000408273277 385910953 /nfs/dbraw/zinc/91/09/53/385910953.db2.gz OTNJHZGSSKGJMN-QMMMGPOBSA-N 1 2 223.276 0.281 20 0 BCADLO C[N@H+](Cc1ncnn1CC(F)F)C1CC(O)C1 ZINC000331763680 385914984 /nfs/dbraw/zinc/91/49/84/385914984.db2.gz JRTIFMBRIRMCQT-UHFFFAOYSA-N 1 2 246.261 0.498 20 0 BCADLO C[N@@H+](Cc1ncnn1CC(F)F)C1CC(O)C1 ZINC000331763680 385914988 /nfs/dbraw/zinc/91/49/88/385914988.db2.gz JRTIFMBRIRMCQT-UHFFFAOYSA-N 1 2 246.261 0.498 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000272617339 385918882 /nfs/dbraw/zinc/91/88/82/385918882.db2.gz UAMHGQFWISDAQE-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000272617339 385918884 /nfs/dbraw/zinc/91/88/84/385918884.db2.gz UAMHGQFWISDAQE-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000338216437 385919087 /nfs/dbraw/zinc/91/90/87/385919087.db2.gz MZPDLGOMCDYDPG-SECBINFHSA-N 1 2 242.319 0.491 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccsc2)[nH]1 ZINC000336741999 385919896 /nfs/dbraw/zinc/91/98/96/385919896.db2.gz RPHMVVOUORJUNU-VIFPVBQESA-N 1 2 238.316 0.998 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000414586044 385866786 /nfs/dbraw/zinc/86/67/86/385866786.db2.gz OGFLFIQAVKMXQC-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000414586044 385866787 /nfs/dbraw/zinc/86/67/87/385866787.db2.gz OGFLFIQAVKMXQC-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO CN(Cc1ccn(C)n1)Cc1[nH+]ccn1C ZINC000272000219 385866810 /nfs/dbraw/zinc/86/68/10/385866810.db2.gz IBRVNFJCERDDSA-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284375126 385867386 /nfs/dbraw/zinc/86/73/86/385867386.db2.gz LMNKWMUWUPFXHW-HMDXOVGESA-N 1 2 223.276 0.556 20 0 BCADLO Cn1ccc(C[N@H+](C)C2(C(N)=O)CCCC2)n1 ZINC000272005428 385867995 /nfs/dbraw/zinc/86/79/95/385867995.db2.gz SHPCGMRNQFJEMX-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccc(C[N@@H+](C)C2(C(N)=O)CCCC2)n1 ZINC000272005428 385868000 /nfs/dbraw/zinc/86/80/00/385868000.db2.gz SHPCGMRNQFJEMX-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1c(CNC(=O)C=Cc2c[nH]c[nH+]2)cnn1C ZINC000284426711 385869418 /nfs/dbraw/zinc/86/94/18/385869418.db2.gz OYTUISGDLXUXBY-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2occc2C)C1 ZINC000284460205 385870744 /nfs/dbraw/zinc/87/07/44/385870744.db2.gz CNYGOVBXSNEVBE-UWVGGRQHSA-N 1 2 238.287 0.663 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2occc2C)C1 ZINC000284460205 385870748 /nfs/dbraw/zinc/87/07/48/385870748.db2.gz CNYGOVBXSNEVBE-UWVGGRQHSA-N 1 2 238.287 0.663 20 0 BCADLO O=C(c1ccc[nH]1)N1CCc2[nH]c[nH+]c2C1 ZINC000647735072 385872959 /nfs/dbraw/zinc/87/29/59/385872959.db2.gz QHZNSEJOLYZKEC-UHFFFAOYSA-N 1 2 216.244 0.936 20 0 BCADLO O=C(c1ccc[nH]1)N1CCc2[nH+]c[nH]c2C1 ZINC000647735072 385872963 /nfs/dbraw/zinc/87/29/63/385872963.db2.gz QHZNSEJOLYZKEC-UHFFFAOYSA-N 1 2 216.244 0.936 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NN1CCCCC1 ZINC000284561016 385875269 /nfs/dbraw/zinc/87/52/69/385875269.db2.gz YHOQHCKZAHUSQN-SNAWJCMRSA-N 1 2 220.276 0.940 20 0 BCADLO CC(C)n1cc(C(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000340192919 385877031 /nfs/dbraw/zinc/87/70/31/385877031.db2.gz UFRXJKCRWNEJFH-UHFFFAOYSA-N 1 2 234.263 0.512 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1ccncc1 ZINC000338042488 385883467 /nfs/dbraw/zinc/88/34/67/385883467.db2.gz UWOFZXWEYCVYRV-UHFFFAOYSA-N 1 2 216.244 0.729 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CC(=O)N[C@@H](C)C1 ZINC000295146957 385977650 /nfs/dbraw/zinc/97/76/50/385977650.db2.gz ALCQQFPACJMEJD-JTQLQIEISA-N 1 2 236.319 0.784 20 0 BCADLO CC[C@@H]([NH2+]CC1(C(=O)OC)CC1)C(=O)OC ZINC000336748091 385982530 /nfs/dbraw/zinc/98/25/30/385982530.db2.gz XTUSRWUNALLJSB-MRVPVSSYSA-N 1 2 229.276 0.481 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@](C)(O)C1CC1 ZINC000285981391 385984361 /nfs/dbraw/zinc/98/43/61/385984361.db2.gz CADQMALGKKRZJL-LLVKDONJSA-N 1 2 223.276 0.197 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccon1 ZINC000128470335 385988922 /nfs/dbraw/zinc/98/89/22/385988922.db2.gz VYBQGYRNELEDFE-UHFFFAOYSA-N 1 2 220.232 0.680 20 0 BCADLO COC[C@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000273330192 385989343 /nfs/dbraw/zinc/98/93/43/385989343.db2.gz QYFNZVGATCYSOG-NSHDSACASA-N 1 2 241.291 0.051 20 0 BCADLO COC(=O)CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000338392489 385991098 /nfs/dbraw/zinc/99/10/98/385991098.db2.gz RENOPBAJZXXUCQ-UHFFFAOYSA-N 1 2 239.275 0.759 20 0 BCADLO COC(=O)CCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000338392489 385991108 /nfs/dbraw/zinc/99/11/08/385991108.db2.gz RENOPBAJZXXUCQ-UHFFFAOYSA-N 1 2 239.275 0.759 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338279196 385936374 /nfs/dbraw/zinc/93/63/74/385936374.db2.gz JBOBTIBJWIFKOD-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338279196 385936378 /nfs/dbraw/zinc/93/63/78/385936378.db2.gz JBOBTIBJWIFKOD-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000294991721 385936730 /nfs/dbraw/zinc/93/67/30/385936730.db2.gz YDSGKSULAMHRML-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cnccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000294991721 385936737 /nfs/dbraw/zinc/93/67/37/385936737.db2.gz YDSGKSULAMHRML-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO CO[C@@H](C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000425393975 385943551 /nfs/dbraw/zinc/94/35/51/385943551.db2.gz KHHDGQCMADFYFG-JTQLQIEISA-N 1 2 222.292 0.519 20 0 BCADLO CO[C@@H](C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000425393975 385943558 /nfs/dbraw/zinc/94/35/58/385943558.db2.gz KHHDGQCMADFYFG-JTQLQIEISA-N 1 2 222.292 0.519 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)N1CCC1 ZINC000285583146 385944704 /nfs/dbraw/zinc/94/47/04/385944704.db2.gz BBEXZIRVSSYYCT-LLVKDONJSA-N 1 2 234.303 0.779 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1c1cc[nH]n1)N1CCC1 ZINC000285583146 385944710 /nfs/dbraw/zinc/94/47/10/385944710.db2.gz BBEXZIRVSSYYCT-LLVKDONJSA-N 1 2 234.303 0.779 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338280599 385945759 /nfs/dbraw/zinc/94/57/59/385945759.db2.gz HSLWQSSQDUXFNZ-PSASIEDQSA-N 1 2 213.277 0.047 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338280599 385945763 /nfs/dbraw/zinc/94/57/63/385945763.db2.gz HSLWQSSQDUXFNZ-PSASIEDQSA-N 1 2 213.277 0.047 20 0 BCADLO O=C(C1CC1)[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000338293515 385957691 /nfs/dbraw/zinc/95/76/91/385957691.db2.gz IEUMLXUGIQZXHW-LBPRGKRZSA-N 1 2 249.314 0.563 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCNC1=O)c1c(F)cncc1F ZINC000285742806 385962053 /nfs/dbraw/zinc/96/20/53/385962053.db2.gz QLXHITZVOXGQDE-IMTBSYHQSA-N 1 2 241.241 0.899 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000338313058 385963595 /nfs/dbraw/zinc/96/35/95/385963595.db2.gz HIRVQBHBBWPHAT-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000338313058 385963603 /nfs/dbraw/zinc/96/36/03/385963603.db2.gz HIRVQBHBBWPHAT-LBPRGKRZSA-N 1 2 249.314 0.753 20 0 BCADLO CCCn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000273065095 385966428 /nfs/dbraw/zinc/96/64/28/385966428.db2.gz YIRXMKXDBIPGRZ-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295103035 385967597 /nfs/dbraw/zinc/96/75/97/385967597.db2.gz VFGQVPZTXUZEBB-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295103035 385967602 /nfs/dbraw/zinc/96/76/02/385967602.db2.gz VFGQVPZTXUZEBB-SECBINFHSA-N 1 2 208.261 0.908 20 0 BCADLO CNS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000285895244 385974463 /nfs/dbraw/zinc/97/44/63/385974463.db2.gz GLVOOWGOINPNNO-MRVPVSSYSA-N 1 2 244.320 0.401 20 0 BCADLO O=C(C1CC1)N1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000643255491 385997326 /nfs/dbraw/zinc/99/73/26/385997326.db2.gz WWLFTQFQVCDZQM-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO O=C(C1CC1)N1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000643255491 385997334 /nfs/dbraw/zinc/99/73/34/385997334.db2.gz WWLFTQFQVCDZQM-NSHDSACASA-N 1 2 224.304 0.677 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340222250 385999629 /nfs/dbraw/zinc/99/96/29/385999629.db2.gz LGRCZYWHGPLVGH-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222250 385999634 /nfs/dbraw/zinc/99/96/34/385999634.db2.gz LGRCZYWHGPLVGH-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nc1=O ZINC000334433832 386055864 /nfs/dbraw/zinc/05/58/64/386055864.db2.gz DLSFAHRCUSRBKN-JTQLQIEISA-N 1 2 247.302 0.774 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nc1=O ZINC000334433832 386055866 /nfs/dbraw/zinc/05/58/66/386055866.db2.gz DLSFAHRCUSRBKN-JTQLQIEISA-N 1 2 247.302 0.774 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1ccnc(OC)n1 ZINC000295582925 386056175 /nfs/dbraw/zinc/05/61/75/386056175.db2.gz BPAIMCMFZSUPLU-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO Cc1nc(N2CCSC[C@@H]2CO)cc[nH+]1 ZINC000345146084 386011335 /nfs/dbraw/zinc/01/13/35/386011335.db2.gz GVGRCCUIZHEOFC-VIFPVBQESA-N 1 2 225.317 0.699 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1ccnc(OC)n1 ZINC000295582925 386056178 /nfs/dbraw/zinc/05/61/78/386056178.db2.gz BPAIMCMFZSUPLU-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)OC ZINC000189503164 386013651 /nfs/dbraw/zinc/01/36/51/386013651.db2.gz XUZUGSZJHCOUFU-LPEHRKFASA-N 1 2 242.319 0.572 20 0 BCADLO COC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)C1CC1 ZINC000336752434 386017422 /nfs/dbraw/zinc/01/74/22/386017422.db2.gz DINRBDQWSCUKTM-WDEREUQCSA-N 1 2 227.304 0.953 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000113272073 386018830 /nfs/dbraw/zinc/01/88/30/386018830.db2.gz MSPYGRHJLQSVSX-SNVBAGLBSA-N 1 2 234.365 0.610 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1ncnn1C(C)(C)C ZINC000286365702 386027885 /nfs/dbraw/zinc/02/78/85/386027885.db2.gz HTYRDLIKWYOUOG-UHFFFAOYSA-N 1 2 239.323 0.340 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1ncnn1C(C)(C)C ZINC000286365702 386027891 /nfs/dbraw/zinc/02/78/91/386027891.db2.gz HTYRDLIKWYOUOG-UHFFFAOYSA-N 1 2 239.323 0.340 20 0 BCADLO C[C@@H](CO)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000286359708 386027932 /nfs/dbraw/zinc/02/79/32/386027932.db2.gz HTPWDYPLXFLKLW-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO C[C@@H](CO)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000286359708 386027936 /nfs/dbraw/zinc/02/79/36/386027936.db2.gz HTPWDYPLXFLKLW-JTQLQIEISA-N 1 2 236.319 0.894 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+](C)Cc1nnc[nH]1 ZINC000338543752 386035267 /nfs/dbraw/zinc/03/52/67/386035267.db2.gz RVFXQIWPQRSNRW-UHFFFAOYSA-N 1 2 240.307 0.826 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000338543752 386035273 /nfs/dbraw/zinc/03/52/73/386035273.db2.gz RVFXQIWPQRSNRW-UHFFFAOYSA-N 1 2 240.307 0.826 20 0 BCADLO COC(=O)CCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336771351 386037529 /nfs/dbraw/zinc/03/75/29/386037529.db2.gz UOJLNCONNRZPET-JTQLQIEISA-N 1 2 229.276 0.481 20 0 BCADLO Cc1nocc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000295457905 386038152 /nfs/dbraw/zinc/03/81/52/386038152.db2.gz VQXFVBFAMSDGBI-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1nocc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000295457905 386038158 /nfs/dbraw/zinc/03/81/58/386038158.db2.gz VQXFVBFAMSDGBI-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425421640 386039174 /nfs/dbraw/zinc/03/91/74/386039174.db2.gz OAXYOIBCXSBOMV-WDSKDSINSA-N 1 2 233.218 0.820 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425421640 386039180 /nfs/dbraw/zinc/03/91/80/386039180.db2.gz OAXYOIBCXSBOMV-WDSKDSINSA-N 1 2 233.218 0.820 20 0 BCADLO COC(=O)C[N@H+](C)CCC(C)(C)C(=O)OC ZINC000338547592 386042742 /nfs/dbraw/zinc/04/27/42/386042742.db2.gz WJZAEJVORHLDKT-UHFFFAOYSA-N 1 2 231.292 0.681 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000338547592 386042747 /nfs/dbraw/zinc/04/27/47/386042747.db2.gz WJZAEJVORHLDKT-UHFFFAOYSA-N 1 2 231.292 0.681 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000334439092 386047904 /nfs/dbraw/zinc/04/79/04/386047904.db2.gz UMTAJQHJSQPMJJ-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000334439092 386047911 /nfs/dbraw/zinc/04/79/11/386047911.db2.gz UMTAJQHJSQPMJJ-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+](CCCO)Cc1oncc1C(=O)OC ZINC000286542379 386050562 /nfs/dbraw/zinc/05/05/62/386050562.db2.gz UKVHDNYUVGPESA-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO CC[N@@H+](CCCO)Cc1oncc1C(=O)OC ZINC000286542379 386050572 /nfs/dbraw/zinc/05/05/72/386050572.db2.gz UKVHDNYUVGPESA-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000345315751 386103733 /nfs/dbraw/zinc/10/37/33/386103733.db2.gz LTQJAABLJPQLNF-RYUDHWBXSA-N 1 2 240.347 0.871 20 0 BCADLO c1cn2c(n1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000334456491 386109005 /nfs/dbraw/zinc/10/90/05/386109005.db2.gz HIFGXMMHJTWCJO-UHFFFAOYSA-N 1 2 203.249 0.622 20 0 BCADLO c1cn2c(n1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000334456491 386109009 /nfs/dbraw/zinc/10/90/09/386109009.db2.gz HIFGXMMHJTWCJO-UHFFFAOYSA-N 1 2 203.249 0.622 20 0 BCADLO c1cc(CN2CCn3cc[nH+]c3C2)n[nH]1 ZINC000334456491 386109014 /nfs/dbraw/zinc/10/90/14/386109014.db2.gz HIFGXMMHJTWCJO-UHFFFAOYSA-N 1 2 203.249 0.622 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000076048597 386110030 /nfs/dbraw/zinc/11/00/30/386110030.db2.gz WHAAGXPUMWIWNH-BDAKNGLRSA-N 1 2 208.265 0.591 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC=C(C)CC2)C1=O ZINC000647968964 386117036 /nfs/dbraw/zinc/11/70/36/386117036.db2.gz DXIQPBGWZLKLAQ-SNVBAGLBSA-N 1 2 210.277 0.801 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC=C(C)CC2)C1=O ZINC000647968964 386117041 /nfs/dbraw/zinc/11/70/41/386117041.db2.gz DXIQPBGWZLKLAQ-SNVBAGLBSA-N 1 2 210.277 0.801 20 0 BCADLO CC(C)[C@@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000286638511 386059848 /nfs/dbraw/zinc/05/98/48/386059848.db2.gz YSPOOZXGKSALEU-GHMZBOCLSA-N 1 2 239.319 0.652 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)[C@@H]1C ZINC000334442208 386060621 /nfs/dbraw/zinc/06/06/21/386060621.db2.gz CTQAILCOYRGWCZ-NXEZZACHSA-N 1 2 219.288 0.782 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccncc2)[C@@H]1C ZINC000334442208 386060626 /nfs/dbraw/zinc/06/06/26/386060626.db2.gz CTQAILCOYRGWCZ-NXEZZACHSA-N 1 2 219.288 0.782 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nc(C(C)(C)C)no1 ZINC000286633160 386061055 /nfs/dbraw/zinc/06/10/55/386061055.db2.gz YJOJMTBNXHHYMX-UHFFFAOYSA-N 1 2 240.307 0.674 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nc(C(C)(C)C)no1 ZINC000286633160 386061057 /nfs/dbraw/zinc/06/10/57/386061057.db2.gz YJOJMTBNXHHYMX-UHFFFAOYSA-N 1 2 240.307 0.674 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](OC)C1 ZINC000286625951 386061738 /nfs/dbraw/zinc/06/17/38/386061738.db2.gz ZDJGDPHJPMEAAY-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](OC)C1 ZINC000286625951 386061745 /nfs/dbraw/zinc/06/17/45/386061745.db2.gz ZDJGDPHJPMEAAY-QMMMGPOBSA-N 1 2 240.259 0.682 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)CC[C@@H](C)O ZINC000286637520 386061918 /nfs/dbraw/zinc/06/19/18/386061918.db2.gz ZPXFTSCNOBTKLH-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)CC[C@@H](C)O ZINC000286637520 386061923 /nfs/dbraw/zinc/06/19/23/386061923.db2.gz ZPXFTSCNOBTKLH-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590677 386066121 /nfs/dbraw/zinc/06/61/21/386066121.db2.gz SJKBETWKSXPTST-MWLCHTKSSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338590677 386066124 /nfs/dbraw/zinc/06/61/24/386066124.db2.gz SJKBETWKSXPTST-MWLCHTKSSA-N 1 2 232.299 0.307 20 0 BCADLO Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc[nH+]1 ZINC000345167005 386066717 /nfs/dbraw/zinc/06/67/17/386066717.db2.gz WMFYEPWCOIHZEG-SNVBAGLBSA-N 1 2 232.287 0.596 20 0 BCADLO CCN(CCOC)C(=O)CCc1[nH]cc[nH+]1 ZINC000286675046 386067538 /nfs/dbraw/zinc/06/75/38/386067538.db2.gz JVMDZWUWJFFXMF-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccn1 ZINC000338595233 386069239 /nfs/dbraw/zinc/06/92/39/386069239.db2.gz SMRRCYWOVMCAKT-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccn1 ZINC000338595233 386069243 /nfs/dbraw/zinc/06/92/43/386069243.db2.gz SMRRCYWOVMCAKT-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO C[C@H](C(=O)N[C@H]1C[C@H]1C(F)F)[NH+]1CCOCC1 ZINC000345837383 386122194 /nfs/dbraw/zinc/12/21/94/386122194.db2.gz ZKOAKBFUMZVMFT-HLTSFMKQSA-N 1 2 248.273 0.477 20 0 BCADLO Cn1nccc1C[N@@H+]1CCOCC12CC2 ZINC000334446649 386073624 /nfs/dbraw/zinc/07/36/24/386073624.db2.gz PSQMRMBRMUOSSA-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cn1nccc1C[N@H+]1CCOCC12CC2 ZINC000334446649 386073632 /nfs/dbraw/zinc/07/36/32/386073632.db2.gz PSQMRMBRMUOSSA-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)NCC1CCC1 ZINC000338623893 386075207 /nfs/dbraw/zinc/07/52/07/386075207.db2.gz HMLFVDYZOQONRM-GFCCVEGCSA-N 1 2 244.310 0.309 20 0 BCADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)NCC1CCC1 ZINC000338623893 386075216 /nfs/dbraw/zinc/07/52/16/386075216.db2.gz HMLFVDYZOQONRM-GFCCVEGCSA-N 1 2 244.310 0.309 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000286811011 386075713 /nfs/dbraw/zinc/07/57/13/386075713.db2.gz RSXDZCGJRDGKCV-GFCCVEGCSA-N 1 2 247.298 0.967 20 0 BCADLO CCCCNc1cc(N(C)CCO)nc(N)[nH+]1 ZINC000286855170 386077605 /nfs/dbraw/zinc/07/76/05/386077605.db2.gz GSGHPTNCXFKZCF-UHFFFAOYSA-N 1 2 239.323 0.699 20 0 BCADLO CCCCNc1cc(N(C)CCO)[nH+]c(N)n1 ZINC000286855170 386077611 /nfs/dbraw/zinc/07/76/11/386077611.db2.gz GSGHPTNCXFKZCF-UHFFFAOYSA-N 1 2 239.323 0.699 20 0 BCADLO C[N@H+](CC[S@](=O)c1ccccc1)CC(N)=O ZINC000338609819 386078410 /nfs/dbraw/zinc/07/84/10/386078410.db2.gz RDHMQPFFWVTKPC-INIZCTEOSA-N 1 2 240.328 0.211 20 0 BCADLO C[N@@H+](CC[S@](=O)c1ccccc1)CC(N)=O ZINC000338609819 386078414 /nfs/dbraw/zinc/07/84/14/386078414.db2.gz RDHMQPFFWVTKPC-INIZCTEOSA-N 1 2 240.328 0.211 20 0 BCADLO C[C@@H](CF)NC(=O)NCCn1cc[nH+]c1 ZINC000286914472 386083009 /nfs/dbraw/zinc/08/30/09/386083009.db2.gz BAUBKMGLGHOMQW-QMMMGPOBSA-N 1 2 214.244 0.540 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccno1 ZINC000274306967 386089016 /nfs/dbraw/zinc/08/90/16/386089016.db2.gz LDFYPKMYTAJWNC-VHSXEESVSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccno1 ZINC000274306967 386089026 /nfs/dbraw/zinc/08/90/26/386089026.db2.gz LDFYPKMYTAJWNC-VHSXEESVSA-N 1 2 226.276 0.646 20 0 BCADLO Cn1cc[nH+]c1CN1CCC[C@@](F)(CO)C1 ZINC000287029175 386092308 /nfs/dbraw/zinc/09/23/08/386092308.db2.gz SGFZNFAJWINRDK-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000295870216 386097442 /nfs/dbraw/zinc/09/74/42/386097442.db2.gz XROHYBJNZAWGGR-NXEZZACHSA-N 1 2 237.303 0.944 20 0 BCADLO Cc1ncncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000345304791 386098226 /nfs/dbraw/zinc/09/82/26/386098226.db2.gz HRJMYDGTKQPIRF-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)on1 ZINC000274402089 386098653 /nfs/dbraw/zinc/09/86/53/386098653.db2.gz JZXZADJWXRTDHR-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)on1 ZINC000274402089 386098658 /nfs/dbraw/zinc/09/86/58/386098658.db2.gz JZXZADJWXRTDHR-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO CO[C@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287730831 386145431 /nfs/dbraw/zinc/14/54/31/386145431.db2.gz ODQFAWZMSUTYCT-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@H]1CC ZINC000440776042 386146244 /nfs/dbraw/zinc/14/62/44/386146244.db2.gz PJWCDJPYXLSPBC-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@H]1CC ZINC000440776042 386146249 /nfs/dbraw/zinc/14/62/49/386146249.db2.gz PJWCDJPYXLSPBC-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccncc1 ZINC000130447314 386166660 /nfs/dbraw/zinc/16/66/60/386166660.db2.gz BISSQZUPQNJTPD-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccncc1 ZINC000130447314 386166664 /nfs/dbraw/zinc/16/66/64/386166664.db2.gz BISSQZUPQNJTPD-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO CCOC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC000069280172 386168116 /nfs/dbraw/zinc/16/81/16/386168116.db2.gz JFULYJRDVPEXFV-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC000069280172 386168119 /nfs/dbraw/zinc/16/81/19/386168119.db2.gz JFULYJRDVPEXFV-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H]1OCCc2ccccc21 ZINC000263723607 386169716 /nfs/dbraw/zinc/16/97/16/386169716.db2.gz OVRGABOVKRUPCI-LBPRGKRZSA-N 1 2 234.299 0.718 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H]1OCCc2ccccc21 ZINC000263723607 386169719 /nfs/dbraw/zinc/16/97/19/386169719.db2.gz OVRGABOVKRUPCI-LBPRGKRZSA-N 1 2 234.299 0.718 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000408349626 386173082 /nfs/dbraw/zinc/17/30/82/386173082.db2.gz LATHJBMVRVLQBT-LDYMZIIASA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@](C)(O)C1 ZINC000408349626 386173085 /nfs/dbraw/zinc/17/30/85/386173085.db2.gz LATHJBMVRVLQBT-LDYMZIIASA-N 1 2 237.307 0.526 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccno1 ZINC000275096680 386179652 /nfs/dbraw/zinc/17/96/52/386179652.db2.gz JGOYRKXQHCMUAZ-LLVKDONJSA-N 1 2 222.244 0.956 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccno1 ZINC000275096680 386179657 /nfs/dbraw/zinc/17/96/57/386179657.db2.gz JGOYRKXQHCMUAZ-LLVKDONJSA-N 1 2 222.244 0.956 20 0 BCADLO CO[C@@H](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000263818941 386180536 /nfs/dbraw/zinc/18/05/36/386180536.db2.gz JDPJWQNBTDVBND-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H]2CCO)c[nH+]1 ZINC000275143023 386184831 /nfs/dbraw/zinc/18/48/31/386184831.db2.gz PMNQCGIOPNIQAK-UWVGGRQHSA-N 1 2 237.303 0.999 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NS(C)(=O)=O)C2 ZINC000365591924 386186925 /nfs/dbraw/zinc/18/69/25/386186925.db2.gz FZMQMSPQNWJSAM-QMMMGPOBSA-N 1 2 229.305 0.056 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)NCC(F)(F)F ZINC000340543870 386188671 /nfs/dbraw/zinc/18/86/71/386188671.db2.gz BODBUNWBCKDUMB-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)OC)C1(C)C ZINC000189971395 386127051 /nfs/dbraw/zinc/12/70/51/386127051.db2.gz WCCSZAQXMKVXKZ-CABZTGNLSA-N 1 2 245.319 0.315 20 0 BCADLO CCCCNc1cc(N2CC(O)C2)nc(N)[nH+]1 ZINC000287671321 386140796 /nfs/dbraw/zinc/14/07/96/386140796.db2.gz CWMNZNZSOPDIDN-UHFFFAOYSA-N 1 2 237.307 0.452 20 0 BCADLO CCCCNc1cc(N2CC(O)C2)[nH+]c(N)n1 ZINC000287671321 386140798 /nfs/dbraw/zinc/14/07/98/386140798.db2.gz CWMNZNZSOPDIDN-UHFFFAOYSA-N 1 2 237.307 0.452 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@](C)(C(N)=O)C(C)C)c[nH+]1 ZINC000287710615 386142328 /nfs/dbraw/zinc/14/23/28/386142328.db2.gz FLESOJQKPKAPOT-LLVKDONJSA-N 1 2 238.291 0.348 20 0 BCADLO O=C1NCCCC[C@H]1[NH2+]Cc1cocn1 ZINC000336729865 386143898 /nfs/dbraw/zinc/14/38/98/386143898.db2.gz JIQGUHDCGQMCGB-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2COC[C@@H]2O)no1 ZINC000340281770 386200709 /nfs/dbraw/zinc/20/07/09/386200709.db2.gz IFWFDKPFVJIKOZ-UWVGGRQHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)no1 ZINC000340281770 386200714 /nfs/dbraw/zinc/20/07/14/386200714.db2.gz IFWFDKPFVJIKOZ-UWVGGRQHSA-N 1 2 212.249 0.175 20 0 BCADLO COC[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264018095 386201541 /nfs/dbraw/zinc/20/15/41/386201541.db2.gz FXWDYOYLNNBCJG-VHSXEESVSA-N 1 2 225.292 0.670 20 0 BCADLO COC(=O)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000264009502 386202739 /nfs/dbraw/zinc/20/27/39/386202739.db2.gz OFTXJELPIQEOCQ-QMMMGPOBSA-N 1 2 247.254 0.626 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cnn[nH]1 ZINC000340284332 386210949 /nfs/dbraw/zinc/21/09/49/386210949.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cnn[nH]1 ZINC000340284332 386210951 /nfs/dbraw/zinc/21/09/51/386210951.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1c[nH]nn1 ZINC000340284332 386210955 /nfs/dbraw/zinc/21/09/55/386210955.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1c[nH]nn1 ZINC000340284332 386210958 /nfs/dbraw/zinc/21/09/58/386210958.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cn[nH]n1 ZINC000340284332 386210960 /nfs/dbraw/zinc/21/09/60/386210960.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cn[nH]n1 ZINC000340284332 386210962 /nfs/dbraw/zinc/21/09/62/386210962.db2.gz GRFVEWCDQKOJFP-ZETCQYMHSA-N 1 2 212.253 0.046 20 0 BCADLO CO[C@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000347063110 386211966 /nfs/dbraw/zinc/21/19/66/386211966.db2.gz WPAOVAKZMPJKIL-BDAKNGLRSA-N 1 2 210.281 0.597 20 0 BCADLO CO[C@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000347063110 386211971 /nfs/dbraw/zinc/21/19/71/386211971.db2.gz WPAOVAKZMPJKIL-BDAKNGLRSA-N 1 2 210.281 0.597 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCO ZINC000264165845 386212172 /nfs/dbraw/zinc/21/21/72/386212172.db2.gz ZHGUQLUFHLLHBC-ZDUSSCGKSA-N 1 2 249.310 0.969 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCO ZINC000264165845 386212177 /nfs/dbraw/zinc/21/21/77/386212177.db2.gz ZHGUQLUFHLLHBC-ZDUSSCGKSA-N 1 2 249.310 0.969 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000275457666 386213927 /nfs/dbraw/zinc/21/39/27/386213927.db2.gz USZAJCCJNRHKKI-SECBINFHSA-N 1 2 216.306 0.830 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000275457666 386213928 /nfs/dbraw/zinc/21/39/28/386213928.db2.gz USZAJCCJNRHKKI-SECBINFHSA-N 1 2 216.306 0.830 20 0 BCADLO CC[C@H](O)C[N@H+](C)Cc1nc(CCOC)no1 ZINC000339018461 386215677 /nfs/dbraw/zinc/21/56/77/386215677.db2.gz YVODWCJSCSQZJL-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@H](O)C[N@@H+](C)Cc1nc(CCOC)no1 ZINC000339018461 386215680 /nfs/dbraw/zinc/21/56/80/386215680.db2.gz YVODWCJSCSQZJL-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CO[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647969671 386220352 /nfs/dbraw/zinc/22/03/52/386220352.db2.gz KFHJBWKCEMIJHL-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CO[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647969671 386220357 /nfs/dbraw/zinc/22/03/57/386220357.db2.gz KFHJBWKCEMIJHL-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCO1 ZINC000264241480 386220400 /nfs/dbraw/zinc/22/04/00/386220400.db2.gz ZEWSPPYAUPKTMB-SECBINFHSA-N 1 2 238.291 0.398 20 0 BCADLO CO[C@@H]1C[NH+]([C@@H](C)c2nnc(C)o2)C[C@H]1OC ZINC000408360784 386221768 /nfs/dbraw/zinc/22/17/68/386221768.db2.gz ZBSZQCBJNKJNQK-FXBDTBDDSA-N 1 2 241.291 0.785 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)o2)C[C@@H]1OC ZINC000408360785 386222019 /nfs/dbraw/zinc/22/20/19/386222019.db2.gz ZBSZQCBJNKJNQK-QNSHHTMESA-N 1 2 241.291 0.785 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nnc(C)o2)C[C@@H]1OC ZINC000408360785 386222021 /nfs/dbraw/zinc/22/20/21/386222021.db2.gz ZBSZQCBJNKJNQK-QNSHHTMESA-N 1 2 241.291 0.785 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000264334322 386225951 /nfs/dbraw/zinc/22/59/51/386225951.db2.gz UHXRUIOFKYDGBT-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC[C@H]1CCCO1 ZINC000264332065 386226802 /nfs/dbraw/zinc/22/68/02/386226802.db2.gz TUEHEZQFYSZUJM-SNVBAGLBSA-N 1 2 237.303 0.996 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1cncn1 ZINC000347047309 386228487 /nfs/dbraw/zinc/22/84/87/386228487.db2.gz GYRITNHDDVDCGM-LSYCYVAJSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1cncn1 ZINC000347047309 386228492 /nfs/dbraw/zinc/22/84/92/386228492.db2.gz GYRITNHDDVDCGM-LSYCYVAJSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071522 386238691 /nfs/dbraw/zinc/23/86/91/386238691.db2.gz RODVNIAGIUNXTI-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071522 386238693 /nfs/dbraw/zinc/23/86/93/386238693.db2.gz RODVNIAGIUNXTI-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCC[C@@H](OC)C2)C1=O ZINC000647969846 386242197 /nfs/dbraw/zinc/24/21/97/386242197.db2.gz UXNZRDMSBUUZOV-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCC[C@@H](OC)C2)C1=O ZINC000647969846 386242202 /nfs/dbraw/zinc/24/22/02/386242202.db2.gz UXNZRDMSBUUZOV-ZJUUUORDSA-N 1 2 228.292 0.260 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000275836521 386244123 /nfs/dbraw/zinc/24/41/23/386244123.db2.gz JFIXLMAKYHKOIB-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC3)CCO1 ZINC000643333277 386244560 /nfs/dbraw/zinc/24/45/60/386244560.db2.gz OISOHNLHWOIPHG-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC3)CCO1 ZINC000643333277 386244566 /nfs/dbraw/zinc/24/45/66/386244566.db2.gz OISOHNLHWOIPHG-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)C(F)=C(C)C)C[NH2+]1 ZINC000365636123 386251490 /nfs/dbraw/zinc/25/14/90/386251490.db2.gz QZTPURGARZOVIM-JGVFFNPUSA-N 1 2 244.266 0.270 20 0 BCADLO CCC1(O)CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000346292567 386192181 /nfs/dbraw/zinc/19/21/81/386192181.db2.gz IXMXHHSBVRKHLR-VIFPVBQESA-N 1 2 239.323 0.508 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@](C)(O)C1CC1 ZINC000288381709 386192756 /nfs/dbraw/zinc/19/27/56/386192756.db2.gz PHJNGDZSDWXWBW-GFCCVEGCSA-N 1 2 237.303 0.540 20 0 BCADLO Cc1ocnc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275251650 386195948 /nfs/dbraw/zinc/19/59/48/386195948.db2.gz PWGYXSCJHPSDRH-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccc[n+]([O-])c2)C1 ZINC000275251599 386196940 /nfs/dbraw/zinc/19/69/40/386196940.db2.gz PVEUALQPYSMJFG-UHFFFAOYSA-N 1 2 235.287 0.142 20 0 BCADLO CCC(CC)C[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191014563 386198471 /nfs/dbraw/zinc/19/84/71/386198471.db2.gz ZYGWESXIRIMCPV-PSASIEDQSA-N 1 2 217.309 0.935 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnccc1OC ZINC000347201118 386283077 /nfs/dbraw/zinc/28/30/77/386283077.db2.gz DZGRJRZFPUKEOT-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnccc1OC ZINC000347201118 386283082 /nfs/dbraw/zinc/28/30/82/386283082.db2.gz DZGRJRZFPUKEOT-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)CC)C1 ZINC000425512770 386287167 /nfs/dbraw/zinc/28/71/67/386287167.db2.gz NNLBGJCFDTVURR-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](O)CC)C1 ZINC000425512770 386287173 /nfs/dbraw/zinc/28/71/73/386287173.db2.gz NNLBGJCFDTVURR-VIFPVBQESA-N 1 2 200.282 0.269 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)nc1 ZINC000336664215 386288303 /nfs/dbraw/zinc/28/83/03/386288303.db2.gz ZQNGQBXYJVWBAD-GHMZBOCLSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)nc1 ZINC000336664215 386288308 /nfs/dbraw/zinc/28/83/08/386288308.db2.gz ZQNGQBXYJVWBAD-GHMZBOCLSA-N 1 2 221.304 0.988 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1ccnc(N)c1 ZINC000298026742 386292463 /nfs/dbraw/zinc/29/24/63/386292463.db2.gz DXFVEYNAHPBMFW-UHFFFAOYSA-N 1 2 223.276 0.659 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1ccnc(N)c1 ZINC000298026742 386292468 /nfs/dbraw/zinc/29/24/68/386292468.db2.gz DXFVEYNAHPBMFW-UHFFFAOYSA-N 1 2 223.276 0.659 20 0 BCADLO CCOCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347288483 386292671 /nfs/dbraw/zinc/29/26/71/386292671.db2.gz OMHIIESVOFVWDM-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nccn2C)C[C@@H]1OC ZINC000336666954 386292784 /nfs/dbraw/zinc/29/27/84/386292784.db2.gz MERQBZVQHJJSQV-AOOOYVTPSA-N 1 2 225.292 0.266 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nccn2C)C[C@@H]1OC ZINC000336666954 386292788 /nfs/dbraw/zinc/29/27/88/386292788.db2.gz MERQBZVQHJJSQV-AOOOYVTPSA-N 1 2 225.292 0.266 20 0 BCADLO CN(C)c1[nH+]cccc1CN1C(=O)CNC1=O ZINC000339204979 386297893 /nfs/dbraw/zinc/29/78/93/386297893.db2.gz NZZYMBUURFNRSO-UHFFFAOYSA-N 1 2 234.259 0.199 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@H](C)CO)[nH+]cn1 ZINC000298133073 386300309 /nfs/dbraw/zinc/30/03/09/386300309.db2.gz CIVNAXQSCKOAOR-IUCAKERBSA-N 1 2 240.307 0.310 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@H](C)CO)nc[nH+]1 ZINC000298133073 386300314 /nfs/dbraw/zinc/30/03/14/386300314.db2.gz CIVNAXQSCKOAOR-IUCAKERBSA-N 1 2 240.307 0.310 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000265096409 386304793 /nfs/dbraw/zinc/30/47/93/386304793.db2.gz QEQYEXCDEYOPHN-UHFFFAOYSA-N 1 2 223.276 0.615 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@@](=O)CC)[C@@H](C)C1 ZINC000451680662 386306728 /nfs/dbraw/zinc/30/67/28/386306728.db2.gz TWROQXZYFFTASO-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@@](=O)CC)[C@@H](C)C1 ZINC000451680662 386306733 /nfs/dbraw/zinc/30/67/33/386306733.db2.gz TWROQXZYFFTASO-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H](C[N@@H+]1CCN(C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674055 386307712 /nfs/dbraw/zinc/30/77/12/386307712.db2.gz LBGRFPBNTZHIGS-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C[N@H+]1CCN(C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674055 386307716 /nfs/dbraw/zinc/30/77/16/386307716.db2.gz LBGRFPBNTZHIGS-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@H+](C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674055 386307721 /nfs/dbraw/zinc/30/77/21/386307721.db2.gz LBGRFPBNTZHIGS-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@@H+](C)C[C@@H]1C)CS(C)(=O)=O ZINC000336674055 386307725 /nfs/dbraw/zinc/30/77/25/386307725.db2.gz LBGRFPBNTZHIGS-QWRGUYRKSA-N 1 2 248.392 0.303 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@](=O)CC)[C@@H](C)C1 ZINC000451680644 386307785 /nfs/dbraw/zinc/30/77/85/386307785.db2.gz TWROQXZYFFTASO-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@](=O)CC)[C@@H](C)C1 ZINC000451680644 386307791 /nfs/dbraw/zinc/30/77/91/386307791.db2.gz TWROQXZYFFTASO-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCC(=O)N1CCN(CCCn2cc[nH+]c2)C1 ZINC000425517252 386307812 /nfs/dbraw/zinc/30/78/12/386307812.db2.gz KPWGCPMNTKIATD-UHFFFAOYSA-N 1 2 236.319 0.785 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)[nH]1 ZINC000298232684 386311683 /nfs/dbraw/zinc/31/16/83/386311683.db2.gz HSEPZKLPRBGCJG-SNVBAGLBSA-N 1 2 232.291 0.757 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)[nH]1 ZINC000298232684 386311689 /nfs/dbraw/zinc/31/16/89/386311689.db2.gz HSEPZKLPRBGCJG-SNVBAGLBSA-N 1 2 232.291 0.757 20 0 BCADLO Cn1c(COc2cc[nH+]cc2)cc(=O)n(C)c1=O ZINC000276402927 386316653 /nfs/dbraw/zinc/31/66/53/386316653.db2.gz DNEREMARIAFYGU-UHFFFAOYSA-N 1 2 247.254 0.058 20 0 BCADLO C[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)CS(C)(=O)=O ZINC000336675122 386322321 /nfs/dbraw/zinc/32/23/21/386322321.db2.gz MCETWPGHYBZDIV-GARJFASQSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CS(C)(=O)=O ZINC000336675122 386322325 /nfs/dbraw/zinc/32/23/25/386322325.db2.gz MCETWPGHYBZDIV-GARJFASQSA-N 1 2 247.360 0.530 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425519907 386322513 /nfs/dbraw/zinc/32/25/13/386322513.db2.gz PKQHHCUIPQTUEH-UHFFFAOYSA-N 1 2 228.292 0.451 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C(=O)CC)C1 ZINC000425519907 386322519 /nfs/dbraw/zinc/32/25/19/386322519.db2.gz PKQHHCUIPQTUEH-UHFFFAOYSA-N 1 2 228.292 0.451 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)n2C)C1 ZINC000336649933 386263527 /nfs/dbraw/zinc/26/35/27/386263527.db2.gz RYGYQOSULLNMDO-SECBINFHSA-N 1 2 210.281 0.344 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000336649933 386263531 /nfs/dbraw/zinc/26/35/31/386263531.db2.gz RYGYQOSULLNMDO-SECBINFHSA-N 1 2 210.281 0.344 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCOC1CCC1 ZINC000347161750 386263952 /nfs/dbraw/zinc/26/39/52/386263952.db2.gz SCWQAGAOJJSCMY-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCOC1CCC1 ZINC000347161750 386263956 /nfs/dbraw/zinc/26/39/56/386263956.db2.gz SCWQAGAOJJSCMY-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000289136587 386265708 /nfs/dbraw/zinc/26/57/08/386265708.db2.gz PBYHZFWZGLLDFB-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000289136587 386265712 /nfs/dbraw/zinc/26/57/12/386265712.db2.gz PBYHZFWZGLLDFB-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCOC2)nn1C ZINC000336651283 386267451 /nfs/dbraw/zinc/26/74/51/386267451.db2.gz UYQUTCZLLQSMED-NSHDSACASA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)nn1C ZINC000336651283 386267457 /nfs/dbraw/zinc/26/74/57/386267457.db2.gz UYQUTCZLLQSMED-NSHDSACASA-N 1 2 209.293 0.949 20 0 BCADLO Cn1c[nH+]cc1CN1CCOCC(F)(F)C1 ZINC000289163561 386268422 /nfs/dbraw/zinc/26/84/22/386268422.db2.gz DWABVINWCQEBBW-UHFFFAOYSA-N 1 2 231.246 0.888 20 0 BCADLO CC[C@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000339162556 386269480 /nfs/dbraw/zinc/26/94/80/386269480.db2.gz IFKYSSKBELJNHR-SECBINFHSA-N 1 2 225.292 0.240 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H](O)CO ZINC000276076463 386271120 /nfs/dbraw/zinc/27/11/20/386271120.db2.gz KPBCGQOEOQGIDT-VIFPVBQESA-N 1 2 239.275 0.207 20 0 BCADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nncn1C ZINC000347184654 386272977 /nfs/dbraw/zinc/27/29/77/386272977.db2.gz XMYYJIVENZSYDP-RKDXNWHRSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nncn1C ZINC000347184654 386272984 /nfs/dbraw/zinc/27/29/84/386272984.db2.gz XMYYJIVENZSYDP-RKDXNWHRSA-N 1 2 212.297 0.843 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCOC[C@H]1C ZINC000289216717 386274084 /nfs/dbraw/zinc/27/40/84/386274084.db2.gz XDBGFTUVDYRFAF-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCOC[C@H]1C ZINC000289216717 386274085 /nfs/dbraw/zinc/27/40/85/386274085.db2.gz XDBGFTUVDYRFAF-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO CCOCCOC1C[NH+](Cc2c[nH]nc2C)C1 ZINC000297740208 386274914 /nfs/dbraw/zinc/27/49/14/386274914.db2.gz SXYJIFAQMOJABM-UHFFFAOYSA-N 1 2 239.319 0.955 20 0 BCADLO CC(C)CN1CC[N@H+](CCCO)CC1=O ZINC000187063091 386275218 /nfs/dbraw/zinc/27/52/18/386275218.db2.gz BADIISBCMSUKCA-UHFFFAOYSA-N 1 2 214.309 0.169 20 0 BCADLO CC(C)CN1CC[N@@H+](CCCO)CC1=O ZINC000187063091 386275222 /nfs/dbraw/zinc/27/52/22/386275222.db2.gz BADIISBCMSUKCA-UHFFFAOYSA-N 1 2 214.309 0.169 20 0 BCADLO CN(Cc1cc[nH]n1)Cc1c[nH+]cn1C ZINC000336644190 386276947 /nfs/dbraw/zinc/27/69/47/386276947.db2.gz FQWDQCMRPJDWGU-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cnn1 ZINC000276136263 386277465 /nfs/dbraw/zinc/27/74/65/386277465.db2.gz ZXHLGDXWALONSW-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO CC[C@H](O)CCNC(=O)CCc1c[nH+]cn1C ZINC000339173886 386277871 /nfs/dbraw/zinc/27/78/71/386277871.db2.gz KPUALUGVDGRWDO-NSHDSACASA-N 1 2 239.319 0.630 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336644669 386279751 /nfs/dbraw/zinc/27/97/51/386279751.db2.gz GYCYPFBCSRBYRO-AEJSXWLSSA-N 1 2 210.277 0.128 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336644669 386279754 /nfs/dbraw/zinc/27/97/54/386279754.db2.gz GYCYPFBCSRBYRO-AEJSXWLSSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@@H](CO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289276077 386279986 /nfs/dbraw/zinc/27/99/86/386279986.db2.gz PPCRHANSHQDZQK-GXSJLCMTSA-N 1 2 232.287 0.865 20 0 BCADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000276533336 386342223 /nfs/dbraw/zinc/34/22/23/386342223.db2.gz FEAQGGKJSRAXDR-MOVJSRMASA-N 1 2 237.259 0.491 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1scnc1C ZINC000276551426 386344397 /nfs/dbraw/zinc/34/43/97/386344397.db2.gz ZEWXHWQEAVXNKZ-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1scnc1C ZINC000276551426 386344403 /nfs/dbraw/zinc/34/44/03/386344403.db2.gz ZEWXHWQEAVXNKZ-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1cn[nH]c1 ZINC000276575991 386346630 /nfs/dbraw/zinc/34/66/30/386346630.db2.gz NUSHZMOQFPGMMU-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO COCCc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000336687462 386347178 /nfs/dbraw/zinc/34/71/78/386347178.db2.gz GTBSCSLALLWSQD-VIFPVBQESA-N 1 2 241.291 0.215 20 0 BCADLO COCCc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000336687462 386347187 /nfs/dbraw/zinc/34/71/87/386347187.db2.gz GTBSCSLALLWSQD-VIFPVBQESA-N 1 2 241.291 0.215 20 0 BCADLO CC[N@H+](CCOC)Cc1nnnn1C1CC1 ZINC000336687193 386348356 /nfs/dbraw/zinc/34/83/56/386348356.db2.gz XKQHMSCOOAZZPG-UHFFFAOYSA-N 1 2 225.296 0.476 20 0 BCADLO CC[N@@H+](CCOC)Cc1nnnn1C1CC1 ZINC000336687193 386348360 /nfs/dbraw/zinc/34/83/60/386348360.db2.gz XKQHMSCOOAZZPG-UHFFFAOYSA-N 1 2 225.296 0.476 20 0 BCADLO CC(C)(O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366665863 386350268 /nfs/dbraw/zinc/35/02/68/386350268.db2.gz RMQNDIMYMUNGPI-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366665863 386350272 /nfs/dbraw/zinc/35/02/72/386350272.db2.gz RMQNDIMYMUNGPI-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000298795460 386386626 /nfs/dbraw/zinc/38/66/26/386386626.db2.gz FBFUJMHLNPEGGB-HLTSFMKQSA-N 1 2 238.291 0.205 20 0 BCADLO CC[C@]1(C)NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000298496283 386351657 /nfs/dbraw/zinc/35/16/57/386351657.db2.gz GNHKUDKLDHIBHJ-NSHDSACASA-N 1 2 236.275 0.604 20 0 BCADLO COC(=O)[C@H](CF)NCc1[nH+]cc(C)n1C ZINC000336774296 386352989 /nfs/dbraw/zinc/35/29/89/386352989.db2.gz WSHKGYWLLOZUKE-QMMMGPOBSA-N 1 2 229.255 0.329 20 0 BCADLO COC(=O)[C@@H](CF)NCc1[nH+]cc(C)n1C ZINC000336774294 386353428 /nfs/dbraw/zinc/35/34/28/386353428.db2.gz WSHKGYWLLOZUKE-MRVPVSSYSA-N 1 2 229.255 0.329 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000298795460 386386630 /nfs/dbraw/zinc/38/66/30/386386630.db2.gz FBFUJMHLNPEGGB-HLTSFMKQSA-N 1 2 238.291 0.205 20 0 BCADLO CC[C@H](COC)NC(=O)CCn1cc[nH+]c1 ZINC000265634551 386356001 /nfs/dbraw/zinc/35/60/01/386356001.db2.gz GBNKINAVRCZBLY-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@@H]1OC ZINC000336691083 386359318 /nfs/dbraw/zinc/35/93/18/386359318.db2.gz DNCLCQQADCGFKD-PHIMTYICSA-N 1 2 237.303 0.631 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@@H]1OC ZINC000336691083 386359322 /nfs/dbraw/zinc/35/93/22/386359322.db2.gz DNCLCQQADCGFKD-PHIMTYICSA-N 1 2 237.303 0.631 20 0 BCADLO CCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276654480 386359390 /nfs/dbraw/zinc/35/93/90/386359390.db2.gz XCYZBXNQRANRRL-ONEGZZNKSA-N 1 2 209.249 0.264 20 0 BCADLO Cc1nnc(C[NH+]2[C@H](CO)CC[C@H]2CO)s1 ZINC000347324092 386362878 /nfs/dbraw/zinc/36/28/78/386362878.db2.gz YCBDMJGJIAECKI-IUCAKERBSA-N 1 2 243.332 0.164 20 0 BCADLO CCCCNC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647933624 386363344 /nfs/dbraw/zinc/36/33/44/386363344.db2.gz WESQVOVYXWSNMZ-UHFFFAOYSA-N 1 2 236.319 0.684 20 0 BCADLO Cc1ncncc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298656262 386368767 /nfs/dbraw/zinc/36/87/67/386368767.db2.gz PUTIQYKSNUCGHU-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO C[C@H](CNC(=O)[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000265798822 386369489 /nfs/dbraw/zinc/36/94/89/386369489.db2.gz JZWNNWXBBDZVNB-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265787224 386371475 /nfs/dbraw/zinc/37/14/75/386371475.db2.gz SSBBFXBJSMUPEF-VHSXEESVSA-N 1 2 225.292 0.670 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1ccccc1F ZINC000298721229 386375286 /nfs/dbraw/zinc/37/52/86/386375286.db2.gz ODEYZSDOEFPDQF-JTQLQIEISA-N 1 2 226.251 0.276 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1ccccc1F ZINC000298721229 386375288 /nfs/dbraw/zinc/37/52/88/386375288.db2.gz ODEYZSDOEFPDQF-JTQLQIEISA-N 1 2 226.251 0.276 20 0 BCADLO C[C@@H](CNC(=O)[C@@H]1CCOC1)Cn1cc[nH+]c1 ZINC000265843362 386379071 /nfs/dbraw/zinc/37/90/71/386379071.db2.gz SJYLOUFTSLDPQN-WDEREUQCSA-N 1 2 237.303 0.672 20 0 BCADLO CO[C@@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)C1(C)C ZINC000310287881 386382957 /nfs/dbraw/zinc/38/29/57/386382957.db2.gz YFPLJRJKJWOUNO-HTQZYQBOSA-N 1 2 237.307 0.988 20 0 BCADLO CO[C@@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)C1(C)C ZINC000310287881 386382959 /nfs/dbraw/zinc/38/29/59/386382959.db2.gz YFPLJRJKJWOUNO-HTQZYQBOSA-N 1 2 237.307 0.988 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347326943 386325903 /nfs/dbraw/zinc/32/59/03/386325903.db2.gz FOJABHVYRBDZLI-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347326943 386325910 /nfs/dbraw/zinc/32/59/10/386325910.db2.gz FOJABHVYRBDZLI-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO CC[N@H+](CCOC)Cc1ncnn1CCF ZINC000347330084 386327405 /nfs/dbraw/zinc/32/74/05/386327405.db2.gz FBSXXVYBURQTGO-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO CC[N@@H+](CCOC)Cc1ncnn1CCF ZINC000347330084 386327409 /nfs/dbraw/zinc/32/74/09/386327409.db2.gz FBSXXVYBURQTGO-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000336677389 386327959 /nfs/dbraw/zinc/32/79/59/386327959.db2.gz NSYNKGZBXIULNE-SECBINFHSA-N 1 2 223.280 0.229 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000336677389 386327963 /nfs/dbraw/zinc/32/79/63/386327963.db2.gz NSYNKGZBXIULNE-SECBINFHSA-N 1 2 223.280 0.229 20 0 BCADLO Cn1nccc1/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000298364042 386329720 /nfs/dbraw/zinc/32/97/20/386329720.db2.gz TXJXFRDTRHZHAI-NSCUHMNNSA-N 1 2 245.286 0.446 20 0 BCADLO Cc1nc(N2CN(C)C(=O)[C@H]2C)cc[nH+]1 ZINC000645396577 386331397 /nfs/dbraw/zinc/33/13/97/386331397.db2.gz YVSXAMIECFFSPY-SSDOTTSWSA-N 1 2 206.249 0.409 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@](C)(F)C1 ZINC000347399114 386386012 /nfs/dbraw/zinc/38/60/12/386386012.db2.gz YXSHCUCMVGKEHM-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)NCC[N@H+]1CC[C@](C)(F)C1 ZINC000347399114 386386015 /nfs/dbraw/zinc/38/60/15/386386015.db2.gz YXSHCUCMVGKEHM-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCN(C)C(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000276515620 386338220 /nfs/dbraw/zinc/33/82/20/386338220.db2.gz BORWQFXECMJNCQ-SSDOTTSWSA-N 1 2 238.291 0.315 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000347484460 386438302 /nfs/dbraw/zinc/43/83/02/386438302.db2.gz WFTDYBYCIQVPQL-SSDOTTSWSA-N 1 2 214.269 0.103 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000347484460 386438303 /nfs/dbraw/zinc/43/83/03/386438303.db2.gz WFTDYBYCIQVPQL-SSDOTTSWSA-N 1 2 214.269 0.103 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@H]2OC)nc[nH+]1 ZINC000645350021 386438813 /nfs/dbraw/zinc/43/88/13/386438813.db2.gz QKOZIKJQJDKTTM-NXEZZACHSA-N 1 2 223.276 0.865 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000339472477 386441358 /nfs/dbraw/zinc/44/13/58/386441358.db2.gz HXWDUDLLYIOGGN-MNOVXSKESA-N 1 2 249.314 0.773 20 0 BCADLO O=C1N[C@H](C2CC2)C(=O)N1CCCn1cc[nH+]c1 ZINC000277512946 386442012 /nfs/dbraw/zinc/44/20/12/386442012.db2.gz URPNOIHKFOVTLE-SNVBAGLBSA-N 1 2 248.286 0.604 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000339472469 386442385 /nfs/dbraw/zinc/44/23/85/386442385.db2.gz HXWDUDLLYIOGGN-GHMZBOCLSA-N 1 2 249.314 0.773 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccon1 ZINC000299400735 386448023 /nfs/dbraw/zinc/44/80/23/386448023.db2.gz FXTCFYAMAPFAGD-QMMMGPOBSA-N 1 2 220.232 0.690 20 0 BCADLO COc1ncncc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000648038342 386448947 /nfs/dbraw/zinc/44/89/47/386448947.db2.gz WELMLBKKZJDFQN-ZJUUUORDSA-N 1 2 221.260 0.458 20 0 BCADLO COc1ncncc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000648038342 386448954 /nfs/dbraw/zinc/44/89/54/386448954.db2.gz WELMLBKKZJDFQN-ZJUUUORDSA-N 1 2 221.260 0.458 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000290540678 386449106 /nfs/dbraw/zinc/44/91/06/386449106.db2.gz VYSYQYUMSKUWOW-UHFFFAOYSA-N 1 2 224.308 0.806 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000290540678 386449107 /nfs/dbraw/zinc/44/91/07/386449107.db2.gz VYSYQYUMSKUWOW-UHFFFAOYSA-N 1 2 224.308 0.806 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCSC1 ZINC000266534876 386450203 /nfs/dbraw/zinc/45/02/03/386450203.db2.gz PUXISCXFWLFTQZ-MRVPVSSYSA-N 1 2 240.332 0.725 20 0 BCADLO CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccncc1 ZINC000347558670 386450469 /nfs/dbraw/zinc/45/04/69/386450469.db2.gz ZNYNLTCFZNUYMR-UHFFFAOYSA-N 1 2 247.302 0.526 20 0 BCADLO CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccncc1 ZINC000347558670 386450472 /nfs/dbraw/zinc/45/04/72/386450472.db2.gz ZNYNLTCFZNUYMR-UHFFFAOYSA-N 1 2 247.302 0.526 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)CCC(F)(F)F ZINC000339354109 386388517 /nfs/dbraw/zinc/38/85/17/386388517.db2.gz GSZXKPDFAZCZRS-LURJTMIESA-N 1 2 228.214 0.371 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)CCC(F)(F)F ZINC000339354109 386388520 /nfs/dbraw/zinc/38/85/20/386388520.db2.gz GSZXKPDFAZCZRS-LURJTMIESA-N 1 2 228.214 0.371 20 0 BCADLO CO[C@H]1C[NH+](Cc2nccc(C)n2)C[C@@H]1OC ZINC000336694662 386390279 /nfs/dbraw/zinc/39/02/79/386390279.db2.gz LVVPFTCVKPIIGV-QWRGUYRKSA-N 1 2 237.303 0.631 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000182055685 386391497 /nfs/dbraw/zinc/39/14/97/386391497.db2.gz WYZVPGMNLFVDKH-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000182055685 386391502 /nfs/dbraw/zinc/39/15/02/386391502.db2.gz WYZVPGMNLFVDKH-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO CCN(CC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000276933023 386391957 /nfs/dbraw/zinc/39/19/57/386391957.db2.gz PXCSSICHNUDPCI-UHFFFAOYSA-N 1 2 220.276 0.666 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cscn2)C[C@@H]1OC ZINC000276951403 386393559 /nfs/dbraw/zinc/39/35/59/386393559.db2.gz WAOWBTRKUKJQNE-AOOOYVTPSA-N 1 2 228.317 0.989 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cscn2)C[C@@H]1OC ZINC000276951403 386393563 /nfs/dbraw/zinc/39/35/63/386393563.db2.gz WAOWBTRKUKJQNE-AOOOYVTPSA-N 1 2 228.317 0.989 20 0 BCADLO COC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276981800 386397345 /nfs/dbraw/zinc/39/73/45/386397345.db2.gz SPXHCCBNIINIAR-UHFFFAOYSA-N 1 2 222.244 0.318 20 0 BCADLO COC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276981800 386397350 /nfs/dbraw/zinc/39/73/50/386397350.db2.gz SPXHCCBNIINIAR-UHFFFAOYSA-N 1 2 222.244 0.318 20 0 BCADLO CN(C)c1ccc(C[NH2+]Cc2cnn(C)n2)cn1 ZINC000290141522 386398326 /nfs/dbraw/zinc/39/83/26/386398326.db2.gz NYWWJBFSXCRLEP-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO Cn1nncc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000290132857 386398906 /nfs/dbraw/zinc/39/89/06/386398906.db2.gz ZSHREVMRJIWMHF-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1nncc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000290132857 386398910 /nfs/dbraw/zinc/39/89/10/386398910.db2.gz ZSHREVMRJIWMHF-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000282307224 386399392 /nfs/dbraw/zinc/39/93/92/386399392.db2.gz SXEVYHOHRFBFMX-BYDTYLDUSA-N 1 2 223.725 0.858 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000282307224 386399398 /nfs/dbraw/zinc/39/93/98/386399398.db2.gz SXEVYHOHRFBFMX-BYDTYLDUSA-N 1 2 223.725 0.858 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn[nH]1 ZINC000298936197 386399615 /nfs/dbraw/zinc/39/96/15/386399615.db2.gz BEYZXAFATIQMJS-MRVPVSSYSA-N 1 2 219.248 0.425 20 0 BCADLO CC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266154183 386406738 /nfs/dbraw/zinc/40/67/38/386406738.db2.gz LIWZEAJZGYKXLY-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@@H](C)C2)n1C ZINC000336702768 386406972 /nfs/dbraw/zinc/40/69/72/386406972.db2.gz NZUWXALOGFXVCK-VIFPVBQESA-N 1 2 224.308 0.592 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)n1C ZINC000336702768 386406977 /nfs/dbraw/zinc/40/69/77/386406977.db2.gz NZUWXALOGFXVCK-VIFPVBQESA-N 1 2 224.308 0.592 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000336702838 386408576 /nfs/dbraw/zinc/40/85/76/386408576.db2.gz ITTWOICUARCDOI-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000336702838 386408580 /nfs/dbraw/zinc/40/85/80/386408580.db2.gz ITTWOICUARCDOI-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](CNC(=O)C(C)(C)O)Cn1cc[nH+]c1 ZINC000277150028 386413881 /nfs/dbraw/zinc/41/38/81/386413881.db2.gz QAPFDRRNQPLZPZ-SECBINFHSA-N 1 2 225.292 0.406 20 0 BCADLO Cn1c[nH+]cc1CN1CCN2C(=O)CC[C@H]2C1 ZINC000336707743 386414663 /nfs/dbraw/zinc/41/46/63/386414663.db2.gz HWFUQSFABHCHGA-JTQLQIEISA-N 1 2 234.303 0.227 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CCNC(=O)C(C)C ZINC000290316417 386420280 /nfs/dbraw/zinc/42/02/80/386420280.db2.gz BCDIEAYBFKYHRW-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)CCNC(=O)C(C)C ZINC000290316417 386420284 /nfs/dbraw/zinc/42/02/84/386420284.db2.gz BCDIEAYBFKYHRW-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000290316417 386420289 /nfs/dbraw/zinc/42/02/89/386420289.db2.gz BCDIEAYBFKYHRW-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)CCNC(=O)C(C)C ZINC000290316417 386420295 /nfs/dbraw/zinc/42/02/95/386420295.db2.gz BCDIEAYBFKYHRW-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1cnn(CC(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000347504065 386423984 /nfs/dbraw/zinc/42/39/84/386423984.db2.gz SRJNIOHSEICXQH-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347514716 386427052 /nfs/dbraw/zinc/42/70/52/386427052.db2.gz OAORTYQQADUCRU-RKDXNWHRSA-N 1 2 223.276 0.793 20 0 BCADLO Cn1cc[nH+]c1CN1CCN2C(=O)CC[C@H]2C1 ZINC000336713434 386430691 /nfs/dbraw/zinc/43/06/91/386430691.db2.gz PQRYQXTYTRXWPE-JTQLQIEISA-N 1 2 234.303 0.227 20 0 BCADLO Cc1noc(CCC[N@H+]2CCN(C)C[C@@H]2C)n1 ZINC000336715216 386432552 /nfs/dbraw/zinc/43/25/52/386432552.db2.gz UKZWQKAGEBMXDK-JTQLQIEISA-N 1 2 238.335 0.947 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCN(C)C[C@@H]2C)n1 ZINC000336715216 386432553 /nfs/dbraw/zinc/43/25/53/386432553.db2.gz UKZWQKAGEBMXDK-JTQLQIEISA-N 1 2 238.335 0.947 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCS1 ZINC000266421176 386433627 /nfs/dbraw/zinc/43/36/27/386433627.db2.gz FWQKFKIOZWUTLM-QMMMGPOBSA-N 1 2 225.317 0.932 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000277606369 386452419 /nfs/dbraw/zinc/45/24/19/386452419.db2.gz HJUBJJWQMNDMBF-CDAZIORVSA-N 1 2 223.276 0.652 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000290702116 386466559 /nfs/dbraw/zinc/46/65/59/386466559.db2.gz SJMUNFAENNNBCR-NXEZZACHSA-N 1 2 240.307 0.606 20 0 BCADLO Cn1ccnc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000336737077 386474334 /nfs/dbraw/zinc/47/43/34/386474334.db2.gz ZLSJFJLHVLEMIN-LLVKDONJSA-N 1 2 248.330 0.617 20 0 BCADLO Cn1ccnc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000336737077 386474336 /nfs/dbraw/zinc/47/43/36/386474336.db2.gz ZLSJFJLHVLEMIN-LLVKDONJSA-N 1 2 248.330 0.617 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000266864673 386475594 /nfs/dbraw/zinc/47/55/94/386475594.db2.gz MIGPZYSVKIFQRJ-UHFFFAOYSA-N 1 2 224.308 0.189 20 0 BCADLO Cc1nonc1C(=O)NCc1[nH]cc[nH+]1 ZINC000266856572 386475830 /nfs/dbraw/zinc/47/58/30/386475830.db2.gz SLOMLKSQCLTAIY-UHFFFAOYSA-N 1 2 207.193 0.031 20 0 BCADLO COC[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000299648362 386477266 /nfs/dbraw/zinc/47/72/66/386477266.db2.gz MZOOINAYLNWAIE-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000335428346 386481269 /nfs/dbraw/zinc/48/12/69/386481269.db2.gz DLFYMBCCEDVUMA-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cccc(CC[N@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000335428346 386481275 /nfs/dbraw/zinc/48/12/75/386481275.db2.gz DLFYMBCCEDVUMA-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000335427383 386482747 /nfs/dbraw/zinc/48/27/47/386482747.db2.gz UDLWPKYKJMUEQK-QMMMGPOBSA-N 1 2 208.265 0.800 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)[C@H]1C ZINC000339580809 386484631 /nfs/dbraw/zinc/48/46/31/386484631.db2.gz HGNNGMCQHFFMGH-SFYZADRCSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)[C@H]1C ZINC000339580809 386484636 /nfs/dbraw/zinc/48/46/36/386484636.db2.gz HGNNGMCQHFFMGH-SFYZADRCSA-N 1 2 210.281 0.976 20 0 BCADLO O=C(c1ccccn1)N1CCn2c[nH+]cc2C1 ZINC000290940025 386489978 /nfs/dbraw/zinc/48/99/78/386489978.db2.gz OIBCLAPFYQWEJU-UHFFFAOYSA-N 1 2 228.255 0.934 20 0 BCADLO Cn1ccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290941068 386490320 /nfs/dbraw/zinc/49/03/20/386490320.db2.gz OJYQCBADGPBRGL-UHFFFAOYSA-N 1 2 230.271 0.878 20 0 BCADLO COC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000290933753 386490507 /nfs/dbraw/zinc/49/05/07/386490507.db2.gz MZJMQOBDSIOWFU-UHFFFAOYSA-N 1 2 235.287 0.794 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000183343201 386491623 /nfs/dbraw/zinc/49/16/23/386491623.db2.gz DKSVWZSJIUBASK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000183343201 386491630 /nfs/dbraw/zinc/49/16/30/386491630.db2.gz DKSVWZSJIUBASK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)no1 ZINC000290948408 386492506 /nfs/dbraw/zinc/49/25/06/386492506.db2.gz PPNKTKAMDXWBKS-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO Cc1nnccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290956882 386493332 /nfs/dbraw/zinc/49/33/32/386493332.db2.gz QXNHHRJMKUKNAP-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000519604808 386502696 /nfs/dbraw/zinc/50/26/96/386502696.db2.gz IJWRJPNWQWBEQL-JGVFFNPUSA-N 1 2 240.307 0.385 20 0 BCADLO CN(C)c1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000519604812 386502849 /nfs/dbraw/zinc/50/28/49/386502849.db2.gz IJWRJPNWQWBEQL-SFYZADRCSA-N 1 2 240.307 0.385 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267161081 386503160 /nfs/dbraw/zinc/50/31/60/386503160.db2.gz GLJVYLUHNWYRCE-HTQZYQBOSA-N 1 2 237.259 0.143 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccon1 ZINC000393973989 386504957 /nfs/dbraw/zinc/50/49/57/386504957.db2.gz UEZMRIVREVUACJ-SFYZADRCSA-N 1 2 225.248 0.776 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000366450271 386505930 /nfs/dbraw/zinc/50/59/30/386505930.db2.gz XEOIWXJXEUPVLJ-MYJAWHEDSA-N 1 2 237.303 0.692 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000366450271 386505935 /nfs/dbraw/zinc/50/59/35/386505935.db2.gz XEOIWXJXEUPVLJ-MYJAWHEDSA-N 1 2 237.303 0.692 20 0 BCADLO CC/C=C/CNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000452610442 386508491 /nfs/dbraw/zinc/50/84/91/386508491.db2.gz FUMHSDNHSHBPEN-FYJFLYSWSA-N 1 2 239.363 0.705 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)CC[S@@](C)=O)c[nH+]1 ZINC000267232108 386515672 /nfs/dbraw/zinc/51/56/72/386515672.db2.gz PPAURSNMBSINMT-HYORBCNSSA-N 1 2 243.332 0.605 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000135504557 386520326 /nfs/dbraw/zinc/52/03/26/386520326.db2.gz JGYLSLUTIXEMHN-SNVBAGLBSA-N 1 2 247.302 0.475 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000135504557 386520331 /nfs/dbraw/zinc/52/03/31/386520331.db2.gz JGYLSLUTIXEMHN-SNVBAGLBSA-N 1 2 247.302 0.475 20 0 BCADLO Cn1cc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000134016136 386520632 /nfs/dbraw/zinc/52/06/32/386520632.db2.gz LIBIXNZSVWJCHG-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1cc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC000134016136 386520639 /nfs/dbraw/zinc/52/06/39/386520639.db2.gz LIBIXNZSVWJCHG-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CN1CCCNC1=O ZINC000336381773 386530476 /nfs/dbraw/zinc/53/04/76/386530476.db2.gz JMJWOWRCYWBYRN-UHFFFAOYSA-N 1 2 248.286 0.166 20 0 BCADLO Cc1nnc(C[NH2+]C2(C(N)=O)CCCCC2)o1 ZINC000123010296 386527840 /nfs/dbraw/zinc/52/78/40/386527840.db2.gz XKJXLVNQNNKRMD-UHFFFAOYSA-N 1 2 238.291 0.656 20 0 BCADLO CC[C@H](CNC(=O)NCCn1cc[nH+]c1)OC ZINC000290614909 386459793 /nfs/dbraw/zinc/45/97/93/386459793.db2.gz JUWVQXNQGOLNHE-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000347659201 386462403 /nfs/dbraw/zinc/46/24/03/386462403.db2.gz RQDFXMCZNWIWRD-BIIVOSGPSA-N 1 2 234.246 0.277 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000637861452 386462780 /nfs/dbraw/zinc/46/27/80/386462780.db2.gz TVMVMHFWVLQCFA-VIFPVBQESA-N 1 2 225.317 0.983 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccns1 ZINC000637861452 386462787 /nfs/dbraw/zinc/46/27/87/386462787.db2.gz TVMVMHFWVLQCFA-VIFPVBQESA-N 1 2 225.317 0.983 20 0 BCADLO Cn1cc(C2CC[NH+]([C@H]3CCOC3=O)CC2)cn1 ZINC000299547000 386464087 /nfs/dbraw/zinc/46/40/87/386464087.db2.gz BJXXMMHFPVIMQE-LBPRGKRZSA-N 1 2 249.314 0.915 20 0 BCADLO C[C@]1(O)CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000408424945 386575320 /nfs/dbraw/zinc/57/53/20/386575320.db2.gz YQEZORBGWCUZTO-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO C[C@]1(O)CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000408424945 386575323 /nfs/dbraw/zinc/57/53/23/386575323.db2.gz YQEZORBGWCUZTO-NSHDSACASA-N 1 2 242.298 0.594 20 0 BCADLO COC[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000103430036 386577225 /nfs/dbraw/zinc/57/72/25/386577225.db2.gz DZBMLVGQAJVICQ-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)Cn1cccn1 ZINC000278761248 386580149 /nfs/dbraw/zinc/58/01/49/386580149.db2.gz WJDNUPCUAYLDPC-SECBINFHSA-N 1 2 247.302 0.662 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)Cn1cccn1 ZINC000278761248 386580156 /nfs/dbraw/zinc/58/01/56/386580156.db2.gz WJDNUPCUAYLDPC-SECBINFHSA-N 1 2 247.302 0.662 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccno2)C1 ZINC000267760261 386581940 /nfs/dbraw/zinc/58/19/40/386581940.db2.gz FPKKXHBPZHMOOB-JTQLQIEISA-N 1 2 228.223 0.762 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccno2)C1 ZINC000267760261 386581945 /nfs/dbraw/zinc/58/19/45/386581945.db2.gz FPKKXHBPZHMOOB-JTQLQIEISA-N 1 2 228.223 0.762 20 0 BCADLO Nc1ccnc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291814628 386585776 /nfs/dbraw/zinc/58/57/76/386585776.db2.gz NPJZILPWWYFNAF-JTQLQIEISA-N 1 2 244.302 0.702 20 0 BCADLO Nc1ccnc(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291814628 386585780 /nfs/dbraw/zinc/58/57/80/386585780.db2.gz NPJZILPWWYFNAF-JTQLQIEISA-N 1 2 244.302 0.702 20 0 BCADLO CCC[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267818532 386587964 /nfs/dbraw/zinc/58/79/64/386587964.db2.gz WLPIAPATNUHBHW-VIFPVBQESA-N 1 2 236.275 0.641 20 0 BCADLO CO[C@@H](C[NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000262962771 386598632 /nfs/dbraw/zinc/59/86/32/386598632.db2.gz WTVODBNJVJVEPI-MRVPVSSYSA-N 1 2 249.274 0.260 20 0 BCADLO Cc1cnc(C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000291862608 386593545 /nfs/dbraw/zinc/59/35/45/386593545.db2.gz VWPGNDWZMKGLFV-MRVPVSSYSA-N 1 2 234.259 0.998 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2(CO)CC2)n1C1CC1 ZINC000329069302 386595290 /nfs/dbraw/zinc/59/52/90/386595290.db2.gz MUZWZYXDZIYAFX-UHFFFAOYSA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@H+](C)C2(CO)CC2)n1C1CC1 ZINC000329069302 386595295 /nfs/dbraw/zinc/59/52/95/386595295.db2.gz MUZWZYXDZIYAFX-UHFFFAOYSA-N 1 2 236.319 0.878 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC(=O)N1CCC1 ZINC000329023850 386596094 /nfs/dbraw/zinc/59/60/94/386596094.db2.gz IWQWAUHVIIHBOF-SNVBAGLBSA-N 1 2 239.319 0.660 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC(=O)N1CCC1 ZINC000329023850 386596103 /nfs/dbraw/zinc/59/61/03/386596103.db2.gz IWQWAUHVIIHBOF-SNVBAGLBSA-N 1 2 239.319 0.660 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000408372198 386535635 /nfs/dbraw/zinc/53/56/35/386535635.db2.gz BMYGINGGPUBFND-LLVKDONJSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000408372198 386535638 /nfs/dbraw/zinc/53/56/38/386535638.db2.gz BMYGINGGPUBFND-LLVKDONJSA-N 1 2 224.308 0.885 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000527388987 386537210 /nfs/dbraw/zinc/53/72/10/386537210.db2.gz PHAXLMXQUAVXQD-TUAOUCFPSA-N 1 2 249.314 0.646 20 0 BCADLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000101733776 386537663 /nfs/dbraw/zinc/53/76/63/386537663.db2.gz HBIWDAUNPJEQCR-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000101733776 386537667 /nfs/dbraw/zinc/53/76/67/386537667.db2.gz HBIWDAUNPJEQCR-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000101733774 386537788 /nfs/dbraw/zinc/53/77/88/386537788.db2.gz HBIWDAUNPJEQCR-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000101733774 386537790 /nfs/dbraw/zinc/53/77/90/386537790.db2.gz HBIWDAUNPJEQCR-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO Cc1[nH]ccc1C(=O)NCCn1cc[nH+]c1 ZINC000267389914 386538202 /nfs/dbraw/zinc/53/82/02/386538202.db2.gz UVMYJUYPQHVCIS-UHFFFAOYSA-N 1 2 218.260 0.950 20 0 BCADLO C[N@H+](CCO)Cc1cc(F)ncc1F ZINC000291384937 386540808 /nfs/dbraw/zinc/54/08/08/386540808.db2.gz BQBDHVSADSTNDC-UHFFFAOYSA-N 1 2 202.204 0.784 20 0 BCADLO C[N@@H+](CCO)Cc1cc(F)ncc1F ZINC000291384937 386540812 /nfs/dbraw/zinc/54/08/12/386540812.db2.gz BQBDHVSADSTNDC-UHFFFAOYSA-N 1 2 202.204 0.784 20 0 BCADLO CSC[C@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164254501 386541613 /nfs/dbraw/zinc/54/16/13/386541613.db2.gz KOTDLHMJMNZSFR-SECBINFHSA-N 1 2 215.322 0.613 20 0 BCADLO Cc1cnc(NCC[NH+]2CCOCC2)nc1 ZINC000063048540 386542077 /nfs/dbraw/zinc/54/20/77/386542077.db2.gz MTQXOTGGZCYCQM-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO CC(=O)NC1C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000291399449 386542614 /nfs/dbraw/zinc/54/26/14/386542614.db2.gz DTJBOIPRWDOLPM-UHFFFAOYSA-N 1 2 245.286 0.278 20 0 BCADLO COC[C@H](CO)[NH2+][C@@H](C)c1cc(C)on1 ZINC000336733444 386543701 /nfs/dbraw/zinc/54/37/01/386543701.db2.gz MJYDFVXYKGOYQU-IUCAKERBSA-N 1 2 214.265 0.641 20 0 BCADLO CC(C)(O)CC[N@@H+]1CCn2nncc2C1 ZINC000519757202 386547436 /nfs/dbraw/zinc/54/74/36/386547436.db2.gz HJMMHQUHTCWRMX-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CC(C)(O)CC[N@H+]1CCn2nncc2C1 ZINC000519757202 386547441 /nfs/dbraw/zinc/54/74/41/386547441.db2.gz HJMMHQUHTCWRMX-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO COC[C@@H](CC(C)C)[NH2+]Cc1ncn(C)n1 ZINC000336755887 386547979 /nfs/dbraw/zinc/54/79/79/386547979.db2.gz GRPNFEMEWRPVGX-SNVBAGLBSA-N 1 2 226.324 0.966 20 0 BCADLO Cc1ncoc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335403469 386558265 /nfs/dbraw/zinc/55/82/65/386558265.db2.gz FLXWCCGRJRHHQF-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO CCc1cc(N(C)CCNC(C)=O)nc[nH+]1 ZINC000645352079 386559287 /nfs/dbraw/zinc/55/92/87/386559287.db2.gz OJNROJHFOZZQGX-UHFFFAOYSA-N 1 2 222.292 0.611 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335405907 386563753 /nfs/dbraw/zinc/56/37/53/386563753.db2.gz APLCVPRVPVSLMA-MWLCHTKSSA-N 1 2 242.344 0.083 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335405907 386563759 /nfs/dbraw/zinc/56/37/59/386563759.db2.gz APLCVPRVPVSLMA-MWLCHTKSSA-N 1 2 242.344 0.083 20 0 BCADLO O=C1OCC[C@H]2CCN(Cc3c[nH+]c[nH]3)[C@@H]12 ZINC000366491343 386597774 /nfs/dbraw/zinc/59/77/74/386597774.db2.gz RZSYYUNNGBQFHX-PSASIEDQSA-N 1 2 221.260 0.547 20 0 BCADLO O=C1OCC[C@H]2CCN(Cc3c[nH]c[nH+]3)[C@@H]12 ZINC000366491343 386597779 /nfs/dbraw/zinc/59/77/79/386597779.db2.gz RZSYYUNNGBQFHX-PSASIEDQSA-N 1 2 221.260 0.547 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408422735 386567893 /nfs/dbraw/zinc/56/78/93/386567893.db2.gz KJDVDGRYDULMCO-HRDYMLBCSA-N 1 2 218.272 0.309 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408422735 386567896 /nfs/dbraw/zinc/56/78/96/386567896.db2.gz KJDVDGRYDULMCO-HRDYMLBCSA-N 1 2 218.272 0.309 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H]1C1CC1 ZINC000278711066 386570605 /nfs/dbraw/zinc/57/06/05/386570605.db2.gz KDWMVLBPOGMZOP-LBPRGKRZSA-N 1 2 249.314 0.898 20 0 BCADLO COC(=O)[C@]1(F)CCN(Cc2[nH+]ccn2C)C1 ZINC000267684816 386572901 /nfs/dbraw/zinc/57/29/01/386572901.db2.gz RGUCJCDWYNODBT-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000051887337 386574074 /nfs/dbraw/zinc/57/40/74/386574074.db2.gz DQGOBTWEISBGLX-MRVPVSSYSA-N 1 2 211.265 0.446 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](CO)C2)no1 ZINC000051887337 386574078 /nfs/dbraw/zinc/57/40/78/386574078.db2.gz DQGOBTWEISBGLX-MRVPVSSYSA-N 1 2 211.265 0.446 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000328820294 386623572 /nfs/dbraw/zinc/62/35/72/386623572.db2.gz FFLGORMNCQEURU-JTQLQIEISA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000328820294 386623578 /nfs/dbraw/zinc/62/35/78/386623578.db2.gz FFLGORMNCQEURU-JTQLQIEISA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000328820294 386623583 /nfs/dbraw/zinc/62/35/83/386623583.db2.gz FFLGORMNCQEURU-JTQLQIEISA-N 1 2 234.303 0.606 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000644938536 386625511 /nfs/dbraw/zinc/62/55/11/386625511.db2.gz KTANWXAZJSJCQY-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000644938536 386625515 /nfs/dbraw/zinc/62/55/15/386625515.db2.gz KTANWXAZJSJCQY-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000644938537 386625949 /nfs/dbraw/zinc/62/59/49/386625949.db2.gz KTANWXAZJSJCQY-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000644938537 386625953 /nfs/dbraw/zinc/62/59/53/386625953.db2.gz KTANWXAZJSJCQY-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCCC(N)=O ZINC000279080889 386628107 /nfs/dbraw/zinc/62/81/07/386628107.db2.gz RZBKNUSOKSTVOA-UHFFFAOYSA-N 1 2 221.260 0.984 20 0 BCADLO C[N@H+](CCCO)Cc1nnc2n1CCCC2 ZINC000300883722 386628540 /nfs/dbraw/zinc/62/85/40/386628540.db2.gz ZVSKYXOPTCDRRK-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO C[N@@H+](CCCO)Cc1nnc2n1CCCC2 ZINC000300883722 386628547 /nfs/dbraw/zinc/62/85/47/386628547.db2.gz ZVSKYXOPTCDRRK-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)c1nccs1 ZINC000268250568 386632167 /nfs/dbraw/zinc/63/21/67/386632167.db2.gz ZFCLSCGMOHFSAC-UHFFFAOYSA-N 1 2 243.313 0.851 20 0 BCADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1cn[nH]c1 ZINC000339786889 386632324 /nfs/dbraw/zinc/63/23/24/386632324.db2.gz ZXEMTQLTAASHHF-QMMMGPOBSA-N 1 2 248.290 0.704 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCSCC1 ZINC000279114190 386632613 /nfs/dbraw/zinc/63/26/13/386632613.db2.gz CIYHNIRIDHVRDI-UHFFFAOYSA-N 1 2 225.317 0.918 20 0 BCADLO CO[C@]1(C[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000156854857 386633223 /nfs/dbraw/zinc/63/32/23/386633223.db2.gz KNOUCJLRJLNEIA-JTQLQIEISA-N 1 2 211.265 0.305 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000279128666 386637002 /nfs/dbraw/zinc/63/70/02/386637002.db2.gz VRHHIJXURFNAKB-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000279128666 386637009 /nfs/dbraw/zinc/63/70/09/386637009.db2.gz VRHHIJXURFNAKB-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000337198110 386649288 /nfs/dbraw/zinc/64/92/88/386649288.db2.gz ZILQWDYZDAFJPF-NSHDSACASA-N 1 2 236.319 0.784 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000337198110 386649296 /nfs/dbraw/zinc/64/92/96/386649296.db2.gz ZILQWDYZDAFJPF-NSHDSACASA-N 1 2 236.319 0.784 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCCCO)CCO1 ZINC000148882675 386650665 /nfs/dbraw/zinc/65/06/65/386650665.db2.gz PMCWUZLOLVLROM-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCCCO)CCO1 ZINC000148882675 386650671 /nfs/dbraw/zinc/65/06/71/386650671.db2.gz PMCWUZLOLVLROM-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO Cn1nnnc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000329322363 386651042 /nfs/dbraw/zinc/65/10/42/386651042.db2.gz FKYYETCRKXEALX-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000329322363 386651052 /nfs/dbraw/zinc/65/10/52/386651052.db2.gz FKYYETCRKXEALX-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO OC1(C(F)F)C[NH+](CC2=CCCOC2)C1 ZINC000335515149 386651340 /nfs/dbraw/zinc/65/13/40/386651340.db2.gz VTEWQFXLUFTHGF-UHFFFAOYSA-N 1 2 219.231 0.645 20 0 BCADLO c1cn(CCN2CCOC[C@@H]2c2nc[nH]n2)c[nH+]1 ZINC000328919453 386652304 /nfs/dbraw/zinc/65/23/04/386652304.db2.gz SMKBVNDZYAOVMO-SNVBAGLBSA-N 1 2 248.290 0.075 20 0 BCADLO c1cn(CCN2CCOC[C@@H]2c2nnc[nH]2)c[nH+]1 ZINC000328919453 386652308 /nfs/dbraw/zinc/65/23/08/386652308.db2.gz SMKBVNDZYAOVMO-SNVBAGLBSA-N 1 2 248.290 0.075 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)N1CCCCC1 ZINC000049715574 386654616 /nfs/dbraw/zinc/65/46/16/386654616.db2.gz CGLSILCIMREWAK-JTQLQIEISA-N 1 2 236.319 0.900 20 0 BCADLO O=C1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328606150 386600577 /nfs/dbraw/zinc/60/05/77/386600577.db2.gz KEJNTEXCIGIICQ-UWVGGRQHSA-N 1 2 237.303 0.412 20 0 BCADLO O=C1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328606150 386600583 /nfs/dbraw/zinc/60/05/83/386600583.db2.gz KEJNTEXCIGIICQ-UWVGGRQHSA-N 1 2 237.303 0.412 20 0 BCADLO C[C@H](O)CC[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000644921309 386613489 /nfs/dbraw/zinc/61/34/89/386613489.db2.gz CYHRSTORSDMTQU-XQQFMLRXSA-N 1 2 242.363 0.288 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc(C)nn1C ZINC000417737836 386613717 /nfs/dbraw/zinc/61/37/17/386613717.db2.gz ONCTWISNDZOBSE-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc(C)nn1C ZINC000417737836 386613721 /nfs/dbraw/zinc/61/37/21/386613721.db2.gz ONCTWISNDZOBSE-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCN(CC[N@@H+]1CCOC[C@@H]1C)CC(=O)OC ZINC000337127435 386615064 /nfs/dbraw/zinc/61/50/64/386615064.db2.gz GVKAQBXVEILUHZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC[N@H+]1CCOC[C@@H]1C)CC(=O)OC ZINC000337127435 386615068 /nfs/dbraw/zinc/61/50/68/386615068.db2.gz GVKAQBXVEILUHZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+](CCN1CCOC[C@@H]1C)CC(=O)OC ZINC000337127435 386615072 /nfs/dbraw/zinc/61/50/72/386615072.db2.gz GVKAQBXVEILUHZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+](CCN1CCOC[C@@H]1C)CC(=O)OC ZINC000337127435 386615073 /nfs/dbraw/zinc/61/50/73/386615073.db2.gz GVKAQBXVEILUHZ-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO Cn1nnnc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000525833945 386618170 /nfs/dbraw/zinc/61/81/70/386618170.db2.gz ABDBJQGMMUKZPB-LBPRGKRZSA-N 1 2 244.302 0.846 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NOCC1CC1 ZINC000292382780 386659328 /nfs/dbraw/zinc/65/93/28/386659328.db2.gz URKMIPPSLLIXOI-VIFPVBQESA-N 1 2 238.291 0.912 20 0 BCADLO CC(C)n1cncc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000425327906 386660830 /nfs/dbraw/zinc/66/08/30/386660830.db2.gz SJXKZGDGUWNNST-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1cncc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000425327906 386660837 /nfs/dbraw/zinc/66/08/37/386660837.db2.gz SJXKZGDGUWNNST-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO COC(=O)C(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279296968 386661107 /nfs/dbraw/zinc/66/11/07/386661107.db2.gz YUJNHRZKIHKDST-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@H]32)nn1C ZINC000337225303 386663853 /nfs/dbraw/zinc/66/38/53/386663853.db2.gz PVSDZKDXZIWUHJ-NWDGAFQWSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@H]32)nn1C ZINC000337225303 386663856 /nfs/dbraw/zinc/66/38/56/386663856.db2.gz PVSDZKDXZIWUHJ-NWDGAFQWSA-N 1 2 248.330 0.439 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000645002440 386664527 /nfs/dbraw/zinc/66/45/27/386664527.db2.gz GWXNPAXNZAYOQR-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000645002440 386664532 /nfs/dbraw/zinc/66/45/32/386664532.db2.gz GWXNPAXNZAYOQR-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO CC[C@H](CCO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000268585335 386665853 /nfs/dbraw/zinc/66/58/53/386665853.db2.gz KQLUBIIYQSWHPA-SECBINFHSA-N 1 2 225.292 0.857 20 0 BCADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3ccon3)CC[C@@H]21 ZINC000328996259 386667537 /nfs/dbraw/zinc/66/75/37/386667537.db2.gz FMJAYQNJRUFZQN-ZJUUUORDSA-N 1 2 236.275 0.477 20 0 BCADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3ccon3)CC[C@@H]21 ZINC000328996259 386667545 /nfs/dbraw/zinc/66/75/45/386667545.db2.gz FMJAYQNJRUFZQN-ZJUUUORDSA-N 1 2 236.275 0.477 20 0 BCADLO COc1cc(C(=O)N2CC[NH+](C)CC2)cc(C)n1 ZINC000337238038 386669517 /nfs/dbraw/zinc/66/95/17/386669517.db2.gz ZAZZUOGHSPYLMI-UHFFFAOYSA-N 1 2 249.314 0.786 20 0 BCADLO CC[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000292516162 386682408 /nfs/dbraw/zinc/68/24/08/386682408.db2.gz YKUHNBYTRVKMQW-JTQLQIEISA-N 1 2 233.271 0.835 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000279358743 386671544 /nfs/dbraw/zinc/67/15/44/386671544.db2.gz KCFNQJWGTBERFO-LDYMZIIASA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000279358743 386671547 /nfs/dbraw/zinc/67/15/47/386671547.db2.gz KCFNQJWGTBERFO-LDYMZIIASA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)NC)CC(=O)OC ZINC000337240943 386672829 /nfs/dbraw/zinc/67/28/29/386672829.db2.gz NENNKODRSOIHNJ-MRVPVSSYSA-N 1 2 216.281 0.006 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)NC)CC(=O)OC ZINC000337240943 386672836 /nfs/dbraw/zinc/67/28/36/386672836.db2.gz NENNKODRSOIHNJ-MRVPVSSYSA-N 1 2 216.281 0.006 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CO[C@H](C)C2)c[nH+]1 ZINC000335527471 386673048 /nfs/dbraw/zinc/67/30/48/386673048.db2.gz CWLDSDNLJKCNMR-HTRCEHHLSA-N 1 2 209.249 0.625 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000279384863 386674250 /nfs/dbraw/zinc/67/42/50/386674250.db2.gz JROVSVQMOARYPE-GFCCVEGCSA-N 1 2 234.303 0.430 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000279384863 386674257 /nfs/dbraw/zinc/67/42/57/386674257.db2.gz JROVSVQMOARYPE-GFCCVEGCSA-N 1 2 234.303 0.430 20 0 BCADLO CC(C)c1nc(N2CC(=O)N(C)C(=O)C2)cc[nH+]1 ZINC000190826298 386674549 /nfs/dbraw/zinc/67/45/49/386674549.db2.gz CSIXVQLLHHBEOQ-UHFFFAOYSA-N 1 2 248.286 0.405 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335528669 386675264 /nfs/dbraw/zinc/67/52/64/386675264.db2.gz HQNYYDKWHKBZDM-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)NCC(C)C)n1 ZINC000352833055 386679067 /nfs/dbraw/zinc/67/90/67/386679067.db2.gz WQNSEBPLRDLBHQ-MRVPVSSYSA-N 1 2 240.307 0.801 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005586 386681900 /nfs/dbraw/zinc/68/19/00/386681900.db2.gz RGLDGEFMTUXRCV-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CCCS(C)(=O)=O)CCN1C ZINC000357005586 386681904 /nfs/dbraw/zinc/68/19/04/386681904.db2.gz RGLDGEFMTUXRCV-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1nnnn1C ZINC000366694221 386711165 /nfs/dbraw/zinc/71/11/65/386711165.db2.gz IJVJABIQJJNSTK-VIFPVBQESA-N 1 2 247.306 0.281 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnn(C)c2)[C@@H](C)C1 ZINC000268726890 386687426 /nfs/dbraw/zinc/68/74/26/386687426.db2.gz WULXMLYNQUHNQO-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnn(C)c2)[C@@H](C)C1 ZINC000268726890 386687431 /nfs/dbraw/zinc/68/74/31/386687431.db2.gz WULXMLYNQUHNQO-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1cnc[nH]1 ZINC000337259994 386690657 /nfs/dbraw/zinc/69/06/57/386690657.db2.gz WRVPRHSJTRPOPE-UWVGGRQHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1cnc[nH]1 ZINC000337259994 386690669 /nfs/dbraw/zinc/69/06/69/386690669.db2.gz WRVPRHSJTRPOPE-UWVGGRQHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1c[nH]cn1 ZINC000337259994 386690674 /nfs/dbraw/zinc/69/06/74/386690674.db2.gz WRVPRHSJTRPOPE-UWVGGRQHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1c[nH]cn1 ZINC000337259994 386690678 /nfs/dbraw/zinc/69/06/78/386690678.db2.gz WRVPRHSJTRPOPE-UWVGGRQHSA-N 1 2 220.276 0.120 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000330386025 386698998 /nfs/dbraw/zinc/69/89/98/386698998.db2.gz ALFDOPSSWGTLQG-JQWIXIFHSA-N 1 2 249.314 0.589 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1c[nH+]c[nH]1 ZINC000330394090 386702401 /nfs/dbraw/zinc/70/24/01/386702401.db2.gz IMYSIYSLSBWQNN-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1c[nH]c[nH+]1 ZINC000330394090 386702409 /nfs/dbraw/zinc/70/24/09/386702409.db2.gz IMYSIYSLSBWQNN-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000520603788 386704793 /nfs/dbraw/zinc/70/47/93/386704793.db2.gz AUWODJMYYHAOJR-WCBMZHEXSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000520603788 386704800 /nfs/dbraw/zinc/70/48/00/386704800.db2.gz AUWODJMYYHAOJR-WCBMZHEXSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)ncn1 ZINC000292665507 386708122 /nfs/dbraw/zinc/70/81/22/386708122.db2.gz BHHFJDFOUXSUQC-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)ncn1 ZINC000292665507 386708125 /nfs/dbraw/zinc/70/81/25/386708125.db2.gz BHHFJDFOUXSUQC-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)O ZINC000191959488 386730951 /nfs/dbraw/zinc/73/09/51/386730951.db2.gz ZBSQGGWRMNFOSR-RKDXNWHRSA-N 1 2 217.309 0.935 20 0 BCADLO CCC(CC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000191961359 386732334 /nfs/dbraw/zinc/73/23/34/386732334.db2.gz YJJZRWLQRUWWPF-CBAPKCEASA-N 1 2 203.282 0.687 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cn2c(n1)CCC2 ZINC000335532832 386732385 /nfs/dbraw/zinc/73/23/85/386732385.db2.gz DGFIZGNSXQTBGL-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CC(=O)N[C@H](C)C1 ZINC000335546575 386733010 /nfs/dbraw/zinc/73/30/10/386733010.db2.gz MZYGTHQDZHEVPF-SNVBAGLBSA-N 1 2 236.319 0.784 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@H]1CCCO1 ZINC000330545476 386734885 /nfs/dbraw/zinc/73/48/85/386734885.db2.gz VAPZSXXCBMTNOO-SECBINFHSA-N 1 2 223.276 0.605 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCc1cnccn1 ZINC000357075108 386712677 /nfs/dbraw/zinc/71/26/77/386712677.db2.gz VCXWHQHHORKVHH-NSHDSACASA-N 1 2 237.303 0.903 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCc1cnccn1 ZINC000357075108 386712684 /nfs/dbraw/zinc/71/26/84/386712684.db2.gz VCXWHQHHORKVHH-NSHDSACASA-N 1 2 237.303 0.903 20 0 BCADLO CC(=O)c1ccn(Cc2c[nH+]cn2C)n1 ZINC000292719955 386713427 /nfs/dbraw/zinc/71/34/27/386713427.db2.gz LLGWWHZXYUMHPQ-UHFFFAOYSA-N 1 2 204.233 0.868 20 0 BCADLO CSCCONC(=O)NCCn1cc[nH+]c1 ZINC000279662462 386717460 /nfs/dbraw/zinc/71/74/60/386717460.db2.gz NXAXPSHFTLLMJN-UHFFFAOYSA-N 1 2 244.320 0.477 20 0 BCADLO CO[C@H](C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000279674715 386718412 /nfs/dbraw/zinc/71/84/12/386718412.db2.gz FXKKCWFHDXCZBR-JTQLQIEISA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1C[N@H+](CC2(F)CC2)CCN1CCO ZINC000526984632 386719432 /nfs/dbraw/zinc/71/94/32/386719432.db2.gz RLOZMAOFZQHYGU-JTQLQIEISA-N 1 2 216.300 0.487 20 0 BCADLO C[C@H]1C[N@@H+](CC2(F)CC2)CCN1CCO ZINC000526984632 386719441 /nfs/dbraw/zinc/71/94/41/386719441.db2.gz RLOZMAOFZQHYGU-JTQLQIEISA-N 1 2 216.300 0.487 20 0 BCADLO Cc1noc(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000279876696 386748529 /nfs/dbraw/zinc/74/85/29/386748529.db2.gz JVZGAVYAVREJOJ-UHFFFAOYSA-N 1 2 235.247 0.683 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1ccno1 ZINC000334150754 386749881 /nfs/dbraw/zinc/74/98/81/386749881.db2.gz JMYIOLIBLJAYDL-QMMMGPOBSA-N 1 2 214.290 0.584 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1ccno1 ZINC000334150754 386749887 /nfs/dbraw/zinc/74/98/87/386749887.db2.gz JMYIOLIBLJAYDL-QMMMGPOBSA-N 1 2 214.290 0.584 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000340727409 386755351 /nfs/dbraw/zinc/75/53/51/386755351.db2.gz SZRDSUZDAOZZHA-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000340727409 386755356 /nfs/dbraw/zinc/75/53/56/386755356.db2.gz SZRDSUZDAOZZHA-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO Cc1nc(C)c(NC(=O)[C@@H]2COCC[NH2+]2)s1 ZINC000269255536 386768542 /nfs/dbraw/zinc/76/85/42/386768542.db2.gz WDJXXNTWICXMSO-QMMMGPOBSA-N 1 2 241.316 0.687 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330568196 386791367 /nfs/dbraw/zinc/79/13/67/386791367.db2.gz LPTJJWDULLWLJK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO O=C(C(F)F)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367260959 386772300 /nfs/dbraw/zinc/77/23/00/386772300.db2.gz USWNTWNHGHEPBF-SECBINFHSA-N 1 2 241.241 0.820 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269322188 386778966 /nfs/dbraw/zinc/77/89/66/386778966.db2.gz SVKGSQZDZOPZBI-CMPLNLGQSA-N 1 2 239.319 0.939 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269322190 386780055 /nfs/dbraw/zinc/78/00/55/386780055.db2.gz SVKGSQZDZOPZBI-PWSUYJOCSA-N 1 2 239.319 0.939 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCc1[nH]cc[nH+]1 ZINC000331024726 386781250 /nfs/dbraw/zinc/78/12/50/386781250.db2.gz NXQYNIFNSAYVNS-JTQLQIEISA-N 1 2 211.265 0.433 20 0 BCADLO CCc1ccc(C[NH+]2CCN(CCO)CC2)o1 ZINC000269356277 386782616 /nfs/dbraw/zinc/78/26/16/386782616.db2.gz MNNIMLLAMDTXLL-UHFFFAOYSA-N 1 2 238.331 0.952 20 0 BCADLO COc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000344823276 386784351 /nfs/dbraw/zinc/78/43/51/386784351.db2.gz HUZJQTLWYPZUOV-KOLCDFICSA-N 1 2 240.278 0.995 20 0 BCADLO COc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000344823276 386784356 /nfs/dbraw/zinc/78/43/56/386784356.db2.gz HUZJQTLWYPZUOV-KOLCDFICSA-N 1 2 240.278 0.995 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)CC(C)(CO)CO)o1 ZINC000330632903 386824767 /nfs/dbraw/zinc/82/47/67/386824767.db2.gz RNRNNSNVQZVCDY-SNVBAGLBSA-N 1 2 242.319 0.967 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)CC(C)(CO)CO)o1 ZINC000330632903 386824771 /nfs/dbraw/zinc/82/47/71/386824771.db2.gz RNRNNSNVQZVCDY-SNVBAGLBSA-N 1 2 242.319 0.967 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1cocn1 ZINC000639397329 386797737 /nfs/dbraw/zinc/79/77/37/386797737.db2.gz JVQMTFBBXBXQJM-SECBINFHSA-N 1 2 214.290 0.584 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1cocn1 ZINC000639397329 386797745 /nfs/dbraw/zinc/79/77/45/386797745.db2.gz JVQMTFBBXBXQJM-SECBINFHSA-N 1 2 214.290 0.584 20 0 BCADLO C[C@@H]1OCC[C@@]12CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000280309113 386800225 /nfs/dbraw/zinc/80/02/25/386800225.db2.gz FZDLGLYIEZPNLB-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO COc1cc(C(=O)Nc2cc[nH+]cc2O)nn1C ZINC000357673967 386824151 /nfs/dbraw/zinc/82/41/51/386824151.db2.gz MOVTWEVVZSMCQV-UHFFFAOYSA-N 1 2 248.242 0.204 20 0 BCADLO CCCc1[nH+]ccn1Cc1nc(=O)n(C)[nH]1 ZINC000329778238 386803428 /nfs/dbraw/zinc/80/34/28/386803428.db2.gz KZZYSVRQUMSHQY-UHFFFAOYSA-N 1 2 221.264 0.306 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330587140 386803738 /nfs/dbraw/zinc/80/37/38/386803738.db2.gz YAZAFVQZVZALDL-GXSJLCMTSA-N 1 2 249.314 0.929 20 0 BCADLO Cc1nn(C)c(N)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000339934329 386809563 /nfs/dbraw/zinc/80/95/63/386809563.db2.gz UMDUSSBEEOTNKF-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO CCC1(O)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340923371 386810979 /nfs/dbraw/zinc/81/09/79/386810979.db2.gz RMWHEGWNAZUNOZ-UHFFFAOYSA-N 1 2 226.280 0.247 20 0 BCADLO COC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330637202 386827358 /nfs/dbraw/zinc/82/73/58/386827358.db2.gz FSIXQFVHVYHOHA-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330637202 386827363 /nfs/dbraw/zinc/82/73/63/386827363.db2.gz FSIXQFVHVYHOHA-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCO[C@@H]1C ZINC000330634827 386828215 /nfs/dbraw/zinc/82/82/15/386828215.db2.gz LVUCATPAYPTDCU-MXWKQRLJSA-N 1 2 237.303 0.813 20 0 BCADLO CO[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000395423245 386831356 /nfs/dbraw/zinc/83/13/56/386831356.db2.gz MQXKSNNUMSTKDB-RKDXNWHRSA-N 1 2 231.292 0.020 20 0 BCADLO CO[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000395423245 386831362 /nfs/dbraw/zinc/83/13/62/386831362.db2.gz MQXKSNNUMSTKDB-RKDXNWHRSA-N 1 2 231.292 0.020 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)C[C@H]1C ZINC000334781586 386836827 /nfs/dbraw/zinc/83/68/27/386836827.db2.gz DWDMKDRTYXNSHC-NXEZZACHSA-N 1 2 235.287 0.799 20 0 BCADLO CNc1nc(C)cc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000280685753 386837947 /nfs/dbraw/zinc/83/79/47/386837947.db2.gz CTPFWFCAJKSUTA-UHFFFAOYSA-N 1 2 246.274 0.480 20 0 BCADLO CN(Cc1c[nH+]cn1C)C[C@@H](O)C(F)(F)F ZINC000341123017 386842857 /nfs/dbraw/zinc/84/28/57/386842857.db2.gz HKHPAHPFSHXGSP-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C1(CO)CCC1 ZINC000330265497 386843053 /nfs/dbraw/zinc/84/30/53/386843053.db2.gz ZIJJBJRYRFQAQL-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C1(CO)CCC1 ZINC000330265497 386843057 /nfs/dbraw/zinc/84/30/57/386843057.db2.gz ZIJJBJRYRFQAQL-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO CC(C)n1c[nH+]cc1CN(C)Cc1nnnn1C ZINC000425340278 386843672 /nfs/dbraw/zinc/84/36/72/386843672.db2.gz VIQMGIZKTJQGHO-UHFFFAOYSA-N 1 2 249.322 0.620 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134799 386845953 /nfs/dbraw/zinc/84/59/53/386845953.db2.gz YETQOLBDGGOQJT-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134799 386845959 /nfs/dbraw/zinc/84/59/59/386845959.db2.gz YETQOLBDGGOQJT-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000102674484 386851683 /nfs/dbraw/zinc/85/16/83/386851683.db2.gz GOQQRNOSCVROSU-SECBINFHSA-N 1 2 243.351 0.310 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000102674484 386851693 /nfs/dbraw/zinc/85/16/93/386851693.db2.gz GOQQRNOSCVROSU-SECBINFHSA-N 1 2 243.351 0.310 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000331760950 386895370 /nfs/dbraw/zinc/89/53/70/386895370.db2.gz AYVGHNFRIVOOEL-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000331760950 386895372 /nfs/dbraw/zinc/89/53/72/386895372.db2.gz AYVGHNFRIVOOEL-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO CSCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000358112489 386892681 /nfs/dbraw/zinc/89/26/81/386892681.db2.gz BRFSMYGIQSDVPN-UHFFFAOYSA-N 1 2 242.348 0.925 20 0 BCADLO CCN(C[C@H](C)O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000341313130 386893987 /nfs/dbraw/zinc/89/39/87/386893987.db2.gz SBDPWIMKGMPASJ-VIFPVBQESA-N 1 2 239.319 0.917 20 0 BCADLO Cn1nnnc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341227749 386857434 /nfs/dbraw/zinc/85/74/34/386857434.db2.gz KQMZGBQXODOUMF-NSHDSACASA-N 1 2 247.302 0.423 20 0 BCADLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000335743245 386861430 /nfs/dbraw/zinc/86/14/30/386861430.db2.gz OXUCCWXCPXPUMR-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000335743245 386861433 /nfs/dbraw/zinc/86/14/33/386861433.db2.gz OXUCCWXCPXPUMR-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO COC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000331509863 386863944 /nfs/dbraw/zinc/86/39/44/386863944.db2.gz BGTYSMWIUWKRSR-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000425348897 386864826 /nfs/dbraw/zinc/86/48/26/386864826.db2.gz CUCCAHOYOHNKJR-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000425348897 386864831 /nfs/dbraw/zinc/86/48/31/386864831.db2.gz CUCCAHOYOHNKJR-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334828636 386865422 /nfs/dbraw/zinc/86/54/22/386865422.db2.gz JKDLYCKDDUHMKD-NSHDSACASA-N 1 2 227.283 0.899 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334828636 386865429 /nfs/dbraw/zinc/86/54/29/386865429.db2.gz JKDLYCKDDUHMKD-NSHDSACASA-N 1 2 227.283 0.899 20 0 BCADLO C[C@](O)(CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000331528350 386865849 /nfs/dbraw/zinc/86/58/49/386865849.db2.gz VOSLGVCSOJWFFC-NSHDSACASA-N 1 2 223.276 0.577 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000341250289 386866914 /nfs/dbraw/zinc/86/69/14/386866914.db2.gz NXRVBRYXYWANOL-RKDXNWHRSA-N 1 2 240.307 0.379 20 0 BCADLO CC1(C)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000331580720 386871522 /nfs/dbraw/zinc/87/15/22/386871522.db2.gz VSIOKNAURMAUPU-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N(CCO)C1CC1 ZINC000331596381 386874745 /nfs/dbraw/zinc/87/47/45/386874745.db2.gz CKRIKFMSMUQLTL-UHFFFAOYSA-N 1 2 238.291 0.086 20 0 BCADLO CC(=O)NCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301853364 386883773 /nfs/dbraw/zinc/88/37/73/386883773.db2.gz CBUSZLVDSACBHS-UHFFFAOYSA-N 1 2 245.286 0.760 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1(F)F ZINC000331704195 386883981 /nfs/dbraw/zinc/88/39/81/386883981.db2.gz XPZWETLGJZZLOU-XPUUQOCRSA-N 1 2 229.230 0.970 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000330737460 386888013 /nfs/dbraw/zinc/88/80/13/386888013.db2.gz NYLCBTDARFZMNZ-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000330737460 386888018 /nfs/dbraw/zinc/88/80/18/386888018.db2.gz NYLCBTDARFZMNZ-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1noc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)n1 ZINC000330796855 386890472 /nfs/dbraw/zinc/89/04/72/386890472.db2.gz AIEBIPZLNSBNAL-WCBMZHEXSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1noc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)n1 ZINC000330796855 386890476 /nfs/dbraw/zinc/89/04/76/386890476.db2.gz AIEBIPZLNSBNAL-WCBMZHEXSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1nnc(C[N@H+](C)CCCO)n1C1CC1 ZINC000331745134 386890671 /nfs/dbraw/zinc/89/06/71/386890671.db2.gz CLQVSCGEULSWGB-UHFFFAOYSA-N 1 2 224.308 0.736 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCCO)n1C1CC1 ZINC000331745134 386890678 /nfs/dbraw/zinc/89/06/78/386890678.db2.gz CLQVSCGEULSWGB-UHFFFAOYSA-N 1 2 224.308 0.736 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2(CO)CCC2)[nH]1 ZINC000331833889 386914012 /nfs/dbraw/zinc/91/40/12/386914012.db2.gz YPBNZNBFHYMKBA-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+](C)C2(CO)CCC2)[nH]1 ZINC000331833889 386914018 /nfs/dbraw/zinc/91/40/18/386914018.db2.gz YPBNZNBFHYMKBA-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO COC[C@@H]([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000336762355 386917342 /nfs/dbraw/zinc/91/73/42/386917342.db2.gz LFDUUWYYJCRWCM-VHSXEESVSA-N 1 2 231.292 0.191 20 0 BCADLO Cc1nnc(C[N@H+](C)C2(CO)CCC2)n1C ZINC000331773527 386900411 /nfs/dbraw/zinc/90/04/11/386900411.db2.gz MDWRIRJQRVJSJQ-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2(CO)CCC2)n1C ZINC000331773527 386900413 /nfs/dbraw/zinc/90/04/13/386900413.db2.gz MDWRIRJQRVJSJQ-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO CCc1cc(CCC[N@@H+]2CCNC(=O)C2)on1 ZINC000330864245 386907212 /nfs/dbraw/zinc/90/72/12/386907212.db2.gz WYRVKMHSYKJGCS-UHFFFAOYSA-N 1 2 237.303 0.601 20 0 BCADLO CCc1cc(CCC[N@H+]2CCNC(=O)C2)on1 ZINC000330864245 386907215 /nfs/dbraw/zinc/90/72/15/386907215.db2.gz WYRVKMHSYKJGCS-UHFFFAOYSA-N 1 2 237.303 0.601 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000331808047 386910015 /nfs/dbraw/zinc/91/00/15/386910015.db2.gz KUEWEVAIEYTXEZ-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000331808047 386910019 /nfs/dbraw/zinc/91/00/19/386910019.db2.gz KUEWEVAIEYTXEZ-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO COc1c[nH+]c(NCC2CC2)nc1NCC1CC1 ZINC000341423427 386910374 /nfs/dbraw/zinc/91/03/74/386910374.db2.gz VWHWVFAPYWZUQQ-UHFFFAOYSA-N 1 2 248.330 0.973 20 0 BCADLO CC[N@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000330909431 386920663 /nfs/dbraw/zinc/92/06/63/386920663.db2.gz DSCDXKPLMXPFKK-UHFFFAOYSA-N 1 2 227.312 0.242 20 0 BCADLO CC[N@@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000330909431 386920665 /nfs/dbraw/zinc/92/06/65/386920665.db2.gz DSCDXKPLMXPFKK-UHFFFAOYSA-N 1 2 227.312 0.242 20 0 BCADLO COC[C@@H]([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000336762196 386921194 /nfs/dbraw/zinc/92/11/94/386921194.db2.gz LFDUUWYYJCRWCM-NXEZZACHSA-N 1 2 231.292 0.191 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000367960418 386921885 /nfs/dbraw/zinc/92/18/85/386921885.db2.gz ZIANSPCBQQDPCW-MVWJERBFSA-N 1 2 249.314 0.851 20 0 BCADLO CS(=O)(=O)[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC000332043864 386947514 /nfs/dbraw/zinc/94/75/14/386947514.db2.gz UUDRPOPCIGYFRR-QMMMGPOBSA-N 1 2 234.321 0.421 20 0 BCADLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC000332043864 386947516 /nfs/dbraw/zinc/94/75/16/386947516.db2.gz UUDRPOPCIGYFRR-QMMMGPOBSA-N 1 2 234.321 0.421 20 0 BCADLO C[C@H](CCCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330964572 386929685 /nfs/dbraw/zinc/92/96/85/386929685.db2.gz PXJIIEIWLYRFNE-SECBINFHSA-N 1 2 239.319 0.965 20 0 BCADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nnnn1C ZINC000330956909 386930424 /nfs/dbraw/zinc/93/04/24/386930424.db2.gz NFTHWCLRSOIMFX-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nnnn1C ZINC000330956909 386930428 /nfs/dbraw/zinc/93/04/28/386930428.db2.gz NFTHWCLRSOIMFX-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330963092 386930768 /nfs/dbraw/zinc/93/07/68/386930768.db2.gz KFCYIZYROZGPCG-IUCAKERBSA-N 1 2 237.303 0.574 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330963092 386930773 /nfs/dbraw/zinc/93/07/73/386930773.db2.gz KFCYIZYROZGPCG-IUCAKERBSA-N 1 2 237.303 0.574 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@](C)(CC)C(=O)OC ZINC000352894088 386932823 /nfs/dbraw/zinc/93/28/23/386932823.db2.gz QUFFYMSYIHBBQT-GFCCVEGCSA-N 1 2 244.335 0.786 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000331022244 386936021 /nfs/dbraw/zinc/93/60/21/386936021.db2.gz QJJJWNICHBLOLH-LBPRGKRZSA-N 1 2 239.319 0.786 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC000304028003 386939804 /nfs/dbraw/zinc/93/98/04/386939804.db2.gz TYXJNMJAIUGMEM-QMMMGPOBSA-N 1 2 211.265 0.760 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC000304028003 386939811 /nfs/dbraw/zinc/93/98/11/386939811.db2.gz TYXJNMJAIUGMEM-QMMMGPOBSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330980494 386941060 /nfs/dbraw/zinc/94/10/60/386941060.db2.gz PKKOTTTZZDMCIG-IUCAKERBSA-N 1 2 239.319 0.820 20 0 BCADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H](C)CO ZINC000330988903 386941130 /nfs/dbraw/zinc/94/11/30/386941130.db2.gz MJIPJQPTRILGDO-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO Cc1cc(C)n(CC(=O)Nc2cc[nH+]cc2O)n1 ZINC000358360882 386941711 /nfs/dbraw/zinc/94/17/11/386941711.db2.gz VOYXGYIJLGACQQ-UHFFFAOYSA-N 1 2 246.270 0.661 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC000341628314 386944243 /nfs/dbraw/zinc/94/42/43/386944243.db2.gz ZZTFBGOBLCJZCW-SECBINFHSA-N 1 2 207.281 0.751 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000341628314 386944250 /nfs/dbraw/zinc/94/42/50/386944250.db2.gz ZZTFBGOBLCJZCW-SECBINFHSA-N 1 2 207.281 0.751 20 0 BCADLO CC(C)c1[nH+]ccn1Cc1nc(=O)n(C)[nH]1 ZINC000329791516 386944592 /nfs/dbraw/zinc/94/45/92/386944592.db2.gz UNNKYPNLIJXHHZ-UHFFFAOYSA-N 1 2 221.264 0.477 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000331007340 386944720 /nfs/dbraw/zinc/94/47/20/386944720.db2.gz LZGRQSGMUHXXIR-GUBZILKMSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000331007340 386944723 /nfs/dbraw/zinc/94/47/23/386944723.db2.gz LZGRQSGMUHXXIR-GUBZILKMSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2ncccc2C1 ZINC000368326975 386960002 /nfs/dbraw/zinc/96/00/02/386960002.db2.gz FAMOOZCJOSVSCT-SNVBAGLBSA-N 1 2 233.315 0.916 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2ncccc2C1 ZINC000368326975 386960007 /nfs/dbraw/zinc/96/00/07/386960007.db2.gz FAMOOZCJOSVSCT-SNVBAGLBSA-N 1 2 233.315 0.916 20 0 BCADLO CC1(C)NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330324480 386961304 /nfs/dbraw/zinc/96/13/04/386961304.db2.gz IMTYPCNPWVOKGO-QMMMGPOBSA-N 1 2 248.286 0.733 20 0 BCADLO CC(C)[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000331114230 386966238 /nfs/dbraw/zinc/96/62/38/386966238.db2.gz JXBPRQXPGMCDIQ-NSHDSACASA-N 1 2 239.319 0.795 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cn1 ZINC000368377490 386966421 /nfs/dbraw/zinc/96/64/21/386966421.db2.gz QIGJCMVNOJCDMR-WDEREUQCSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cn1 ZINC000368377490 386966428 /nfs/dbraw/zinc/96/64/28/386966428.db2.gz QIGJCMVNOJCDMR-WDEREUQCSA-N 1 2 235.287 0.558 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@H]2C)ncn1 ZINC000332237830 386967714 /nfs/dbraw/zinc/96/77/14/386967714.db2.gz SKGQCYBCUJBOJZ-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@H]2C)ncn1 ZINC000332237830 386967720 /nfs/dbraw/zinc/96/77/20/386967720.db2.gz SKGQCYBCUJBOJZ-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000334897896 386970496 /nfs/dbraw/zinc/97/04/96/386970496.db2.gz LJSQDBCYMVRASC-WVSHTKLVSA-N 1 2 235.287 0.847 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)s1 ZINC000358516191 386971879 /nfs/dbraw/zinc/97/18/79/386971879.db2.gz YQNLEFHCRCCCNZ-SECBINFHSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000358516191 386971883 /nfs/dbraw/zinc/97/18/83/386971883.db2.gz YQNLEFHCRCCCNZ-SECBINFHSA-N 1 2 213.306 0.803 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1ncnn1C ZINC000191570023 386974977 /nfs/dbraw/zinc/97/49/77/386974977.db2.gz UAABHRPGNOHAPM-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1ncnn1C ZINC000191570023 386974981 /nfs/dbraw/zinc/97/49/81/386974981.db2.gz UAABHRPGNOHAPM-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H]1C[N@H+](CCSc2ncnn2C)CCO1 ZINC000191570304 386976170 /nfs/dbraw/zinc/97/61/70/386976170.db2.gz WYXQLTZSLGSHLG-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2ncnn2C)CCO1 ZINC000191570304 386976172 /nfs/dbraw/zinc/97/61/72/386976172.db2.gz WYXQLTZSLGSHLG-VIFPVBQESA-N 1 2 242.348 0.628 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCSC)C1 ZINC000332404506 386976847 /nfs/dbraw/zinc/97/68/47/386976847.db2.gz XADOCPMHWBPWKT-BDAKNGLRSA-N 1 2 242.348 0.930 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCSC)C1 ZINC000332404506 386976851 /nfs/dbraw/zinc/97/68/51/386976851.db2.gz XADOCPMHWBPWKT-BDAKNGLRSA-N 1 2 242.348 0.930 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ncccn1 ZINC000331156510 386978154 /nfs/dbraw/zinc/97/81/54/386978154.db2.gz JHVIEBLSVDRNRV-GHMZBOCLSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ncccn1 ZINC000331156510 386978160 /nfs/dbraw/zinc/97/81/60/386978160.db2.gz JHVIEBLSVDRNRV-GHMZBOCLSA-N 1 2 237.303 0.448 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000358756346 387008202 /nfs/dbraw/zinc/00/82/02/387008202.db2.gz XJSRAVMEXPPHOQ-SVRRBLITSA-N 1 2 213.306 0.659 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000358756346 387008206 /nfs/dbraw/zinc/00/82/06/387008206.db2.gz XJSRAVMEXPPHOQ-SVRRBLITSA-N 1 2 213.306 0.659 20 0 BCADLO C[C@H](CNC(=O)c1cnc[nH]1)Cn1cc[nH+]c1 ZINC000353011796 386989669 /nfs/dbraw/zinc/98/96/69/386989669.db2.gz MTSXNHALRYPLCS-SECBINFHSA-N 1 2 233.275 0.672 20 0 BCADLO CCOC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332610448 386992115 /nfs/dbraw/zinc/99/21/15/386992115.db2.gz CYNIQXSUMHULIG-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CCOC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332610448 386992118 /nfs/dbraw/zinc/99/21/18/386992118.db2.gz CYNIQXSUMHULIG-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000331274762 386994143 /nfs/dbraw/zinc/99/41/43/386994143.db2.gz BVUQBQUHLGNNCQ-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000331274762 386994150 /nfs/dbraw/zinc/99/41/50/386994150.db2.gz BVUQBQUHLGNNCQ-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)nn1 ZINC000332619257 386994782 /nfs/dbraw/zinc/99/47/82/386994782.db2.gz DRCDNPBOYIOZTO-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)nn1 ZINC000332619257 386994785 /nfs/dbraw/zinc/99/47/85/386994785.db2.gz DRCDNPBOYIOZTO-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CCOCC[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000331240181 386995832 /nfs/dbraw/zinc/99/58/32/386995832.db2.gz MOOODXXLDIZGSM-NSHDSACASA-N 1 2 239.319 0.486 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332623835 386996939 /nfs/dbraw/zinc/99/69/39/386996939.db2.gz GTROKRQWTGVLFO-GXSJLCMTSA-N 1 2 238.335 0.952 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332623835 386996943 /nfs/dbraw/zinc/99/69/43/386996943.db2.gz GTROKRQWTGVLFO-GXSJLCMTSA-N 1 2 238.335 0.952 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000332662981 386999550 /nfs/dbraw/zinc/99/95/50/386999550.db2.gz GICVMUWDVZLWPE-SFYZADRCSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000332662981 386999552 /nfs/dbraw/zinc/99/95/52/386999552.db2.gz GICVMUWDVZLWPE-SFYZADRCSA-N 1 2 226.280 0.091 20 0 BCADLO CC(C)OC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398827041 387001385 /nfs/dbraw/zinc/00/13/85/387001385.db2.gz GDYDUPCBWCICID-MRVPVSSYSA-N 1 2 239.262 0.696 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926756 387001424 /nfs/dbraw/zinc/00/14/24/387001424.db2.gz WWLBHKUAPRQOOV-RYUDHWBXSA-N 1 2 238.331 0.861 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334926756 387001428 /nfs/dbraw/zinc/00/14/28/387001428.db2.gz WWLBHKUAPRQOOV-RYUDHWBXSA-N 1 2 238.331 0.861 20 0 BCADLO CCN(Cc1[nH+]ccn1CC)[C@H]1CCNC1=O ZINC000331314311 387002362 /nfs/dbraw/zinc/00/23/62/387002362.db2.gz WWAYSQVTQPLNIA-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCO1 ZINC000334929730 387005558 /nfs/dbraw/zinc/00/55/58/387005558.db2.gz GZDMDIARESHMKX-SECBINFHSA-N 1 2 221.260 0.609 20 0 BCADLO CCS(=O)(=O)NCC[N@H+](C)Cc1ccoc1 ZINC000330363450 387006518 /nfs/dbraw/zinc/00/65/18/387006518.db2.gz FDEDSYKIKJNMJS-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+](C)Cc1ccoc1 ZINC000330363450 387006520 /nfs/dbraw/zinc/00/65/20/387006520.db2.gz FDEDSYKIKJNMJS-UHFFFAOYSA-N 1 2 246.332 0.651 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000332740564 387006847 /nfs/dbraw/zinc/00/68/47/387006847.db2.gz YYEZSIDYGZRWLV-HTQZYQBOSA-N 1 2 243.332 0.892 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000332740564 387006850 /nfs/dbraw/zinc/00/68/50/387006850.db2.gz YYEZSIDYGZRWLV-HTQZYQBOSA-N 1 2 243.332 0.892 20 0 BCADLO CC[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC000191433636 386950035 /nfs/dbraw/zinc/95/00/35/386950035.db2.gz KYUDLIUBFSYDTH-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC000191433636 386950039 /nfs/dbraw/zinc/95/00/39/386950039.db2.gz KYUDLIUBFSYDTH-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC(F)C1 ZINC000332053317 386950388 /nfs/dbraw/zinc/95/03/88/386950388.db2.gz UUAPJPSHYLASFC-UHFFFAOYSA-N 1 2 212.228 0.283 20 0 BCADLO CC(C)n1c[nH+]cc1[C@H]1NC(=O)CN1C ZINC000333372393 387031056 /nfs/dbraw/zinc/03/10/56/387031056.db2.gz FULDGTFOOBFKPG-JTQLQIEISA-N 1 2 208.265 0.524 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000519183895 387031084 /nfs/dbraw/zinc/03/10/84/387031084.db2.gz XWMAAGVADBEWBS-SECBINFHSA-N 1 2 224.308 0.641 20 0 BCADLO CCNC(=O)[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000519183895 387031088 /nfs/dbraw/zinc/03/10/88/387031088.db2.gz XWMAAGVADBEWBS-SECBINFHSA-N 1 2 224.308 0.641 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)C[C@@]2(CCOC2)O1 ZINC000369169032 387031835 /nfs/dbraw/zinc/03/18/35/387031835.db2.gz XOHJAASDTTVCRB-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)C[C@@]2(CCOC2)O1 ZINC000369169032 387031837 /nfs/dbraw/zinc/03/18/37/387031837.db2.gz XOHJAASDTTVCRB-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000333404460 387033113 /nfs/dbraw/zinc/03/31/13/387033113.db2.gz GETCHKHQMYIFRF-JTQLQIEISA-N 1 2 232.291 0.838 20 0 BCADLO c1c[nH]c(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000333404460 387033119 /nfs/dbraw/zinc/03/31/19/387033119.db2.gz GETCHKHQMYIFRF-JTQLQIEISA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nn1 ZINC000333404460 387033121 /nfs/dbraw/zinc/03/31/21/387033121.db2.gz GETCHKHQMYIFRF-JTQLQIEISA-N 1 2 232.291 0.838 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nc(C)no2)CCC1 ZINC000353048451 387033084 /nfs/dbraw/zinc/03/30/84/387033084.db2.gz URLSYOAUBBEUJJ-UHFFFAOYSA-N 1 2 239.275 0.953 20 0 BCADLO CC(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096641811 387047300 /nfs/dbraw/zinc/04/73/00/387047300.db2.gz IOIXHAUGEHCHSF-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO c1cnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000108952950 387050355 /nfs/dbraw/zinc/05/03/55/387050355.db2.gz GJCNCSMYMWTNND-NSHDSACASA-N 1 2 234.303 0.752 20 0 BCADLO c1cnc(NC[C@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000108952950 387050361 /nfs/dbraw/zinc/05/03/61/387050361.db2.gz GJCNCSMYMWTNND-NSHDSACASA-N 1 2 234.303 0.752 20 0 BCADLO Cc1noc(C)c1C[N@@H+](CC(N)=O)C(C)C ZINC000031345474 387067072 /nfs/dbraw/zinc/06/70/72/387067072.db2.gz WBRDLIGQTLQPAT-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO Cc1noc(C)c1C[N@H+](CC(N)=O)C(C)C ZINC000031345474 387067080 /nfs/dbraw/zinc/06/70/80/387067080.db2.gz WBRDLIGQTLQPAT-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO CCCS(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334968852 387053250 /nfs/dbraw/zinc/05/32/50/387053250.db2.gz NXMLOVOXNPUODL-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CCN(Cc1cn(C)nn1)c1cc(C)[nH+]cn1 ZINC000359095569 387055516 /nfs/dbraw/zinc/05/55/16/387055516.db2.gz MUHAZEHFEUIPEZ-UHFFFAOYSA-N 1 2 232.291 0.940 20 0 BCADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)C2CC2)C1 ZINC000334971387 387056520 /nfs/dbraw/zinc/05/65/20/387056520.db2.gz UOHGBVAGXIZIAM-SECBINFHSA-N 1 2 236.312 0.112 20 0 BCADLO CCC[C@H](O)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459561085 387057468 /nfs/dbraw/zinc/05/74/68/387057468.db2.gz QXYAJOIROGFGFC-CMPLNLGQSA-N 1 2 247.335 0.705 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(F)F)C2 ZINC000369733251 387065024 /nfs/dbraw/zinc/06/50/24/387065024.db2.gz WLBXFHBUGKEJEZ-SSDOTTSWSA-N 1 2 229.230 0.888 20 0 BCADLO CCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000330439098 387012925 /nfs/dbraw/zinc/01/29/25/387012925.db2.gz CNUREBUYKGUVBS-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C)CO ZINC000358790811 387013747 /nfs/dbraw/zinc/01/37/47/387013747.db2.gz RABOZWHMALWFOK-SECBINFHSA-N 1 2 239.319 0.917 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000333044996 387015289 /nfs/dbraw/zinc/01/52/89/387015289.db2.gz FYSFKHFWGVSTIP-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000358836421 387020859 /nfs/dbraw/zinc/02/08/59/387020859.db2.gz XOXGXCSXWNHHIN-SVRRBLITSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000358836421 387020862 /nfs/dbraw/zinc/02/08/62/387020862.db2.gz XOXGXCSXWNHHIN-SVRRBLITSA-N 1 2 213.306 0.802 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000369094477 387027244 /nfs/dbraw/zinc/02/72/44/387027244.db2.gz JGOIBRORDZNPLT-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000369094477 387027247 /nfs/dbraw/zinc/02/72/47/387027247.db2.gz JGOIBRORDZNPLT-JTQLQIEISA-N 1 2 236.319 0.645 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000334984949 387071173 /nfs/dbraw/zinc/07/11/73/387071173.db2.gz CLKHYWXHSKOCAM-UWVGGRQHSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000334984949 387071177 /nfs/dbraw/zinc/07/11/77/387071177.db2.gz CLKHYWXHSKOCAM-UWVGGRQHSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651499 387072158 /nfs/dbraw/zinc/07/21/58/387072158.db2.gz MHPTXKBDZISZLR-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000334984951 387072430 /nfs/dbraw/zinc/07/24/30/387072430.db2.gz CLKHYWXHSKOCAM-ZJUUUORDSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000334984951 387072437 /nfs/dbraw/zinc/07/24/37/387072437.db2.gz CLKHYWXHSKOCAM-ZJUUUORDSA-N 1 2 213.256 0.623 20 0 BCADLO CCC1CC([NH2+][C@H](COC)C(=O)OC)C1 ZINC000336765659 387078188 /nfs/dbraw/zinc/07/81/88/387078188.db2.gz RBAJQLFQDRFYRA-UDNWOFFPSA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000352376298 387130572 /nfs/dbraw/zinc/13/05/72/387130572.db2.gz NCSQNUQWIBCBPP-PWSUYJOCSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000352376298 387130577 /nfs/dbraw/zinc/13/05/77/387130577.db2.gz NCSQNUQWIBCBPP-PWSUYJOCSA-N 1 2 247.310 0.980 20 0 BCADLO Cc1nnc2n1CC[N@@H+](C[C@](C)(O)C(C)C)C2 ZINC000369963340 387079250 /nfs/dbraw/zinc/07/92/50/387079250.db2.gz DKKHRQJKZVHZFK-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nnc2n1CC[N@H+](C[C@](C)(O)C(C)C)C2 ZINC000369963340 387079254 /nfs/dbraw/zinc/07/92/54/387079254.db2.gz DKKHRQJKZVHZFK-LBPRGKRZSA-N 1 2 238.335 0.809 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188702068 387083143 /nfs/dbraw/zinc/08/31/43/387083143.db2.gz VWGHVGUPXJTTMB-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188702068 387083147 /nfs/dbraw/zinc/08/31/47/387083147.db2.gz VWGHVGUPXJTTMB-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066405056 387083908 /nfs/dbraw/zinc/08/39/08/387083908.db2.gz UVWKMIXXDVNSTO-NXEZZACHSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066405056 387083910 /nfs/dbraw/zinc/08/39/10/387083910.db2.gz UVWKMIXXDVNSTO-NXEZZACHSA-N 1 2 233.333 0.284 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000066563510 387086093 /nfs/dbraw/zinc/08/60/93/387086093.db2.gz OWOHRJSZAFWYBW-SNVBAGLBSA-N 1 2 241.335 0.193 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000066563510 387086100 /nfs/dbraw/zinc/08/61/00/387086100.db2.gz OWOHRJSZAFWYBW-SNVBAGLBSA-N 1 2 241.335 0.193 20 0 BCADLO COC1(C[NH+]2CC(S(C)(=O)=O)C2)CCCC1 ZINC000418082921 387092806 /nfs/dbraw/zinc/09/28/06/387092806.db2.gz KMDAWWOEWPPNCI-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000067456918 387094146 /nfs/dbraw/zinc/09/41/46/387094146.db2.gz BFVLVTILUQABIW-NXEZZACHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000067456918 387094151 /nfs/dbraw/zinc/09/41/51/387094151.db2.gz BFVLVTILUQABIW-NXEZZACHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067457191 387095624 /nfs/dbraw/zinc/09/56/24/387095624.db2.gz MQPJFVUAJJYRKG-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000067457191 387095630 /nfs/dbraw/zinc/09/56/30/387095630.db2.gz MQPJFVUAJJYRKG-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000370216057 387097531 /nfs/dbraw/zinc/09/75/31/387097531.db2.gz POEADHWZNIGDGK-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCOC(C)(C)C1 ZINC000370216057 387097537 /nfs/dbraw/zinc/09/75/37/387097537.db2.gz POEADHWZNIGDGK-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cc(NC[C@H](O)C(N)=O)nc(C(C)C)[nH+]1 ZINC000228603580 387100657 /nfs/dbraw/zinc/10/06/57/387100657.db2.gz DOWMTTDBPYMNQZ-QMMMGPOBSA-N 1 2 238.291 0.167 20 0 BCADLO CC(=O)CCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000359460374 387103485 /nfs/dbraw/zinc/10/34/85/387103485.db2.gz MVNDZCLZRJNLIW-UHFFFAOYSA-N 1 2 235.287 0.985 20 0 BCADLO O=C1CC[C@H]([NH2+]Cc2ccn[nH]2)[C@H](C2CC2)N1 ZINC000370280424 387107555 /nfs/dbraw/zinc/10/75/55/387107555.db2.gz VPQSMHQSPGLWGC-JQWIXIFHSA-N 1 2 234.303 0.557 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](O)C1 ZINC000370428088 387117180 /nfs/dbraw/zinc/11/71/80/387117180.db2.gz LUGOSJRPNSYNLH-MNOVXSKESA-N 1 2 249.314 0.429 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H](O)C1 ZINC000370491371 387121644 /nfs/dbraw/zinc/12/16/44/387121644.db2.gz LMNNCOANDHWDJK-VHSXEESVSA-N 1 2 249.314 0.813 20 0 BCADLO Cn1c[nH+]cc1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000370547845 387124482 /nfs/dbraw/zinc/12/44/82/387124482.db2.gz RZYDMGAQARZMDF-JTQLQIEISA-N 1 2 236.275 0.057 20 0 BCADLO CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370555860 387126606 /nfs/dbraw/zinc/12/66/06/387126606.db2.gz IOZFQEGXQINICD-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000352376249 387129405 /nfs/dbraw/zinc/12/94/05/387129405.db2.gz MEAHDPUSFXLPLB-DJLDLDEBSA-N 1 2 218.272 0.309 20 0 BCADLO C[C@H](F)CC[N@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000352376249 387129411 /nfs/dbraw/zinc/12/94/11/387129411.db2.gz MEAHDPUSFXLPLB-DJLDLDEBSA-N 1 2 218.272 0.309 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119566665 387142013 /nfs/dbraw/zinc/14/20/13/387142013.db2.gz MAKLJOPBPWQBQH-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119566665 387142018 /nfs/dbraw/zinc/14/20/18/387142018.db2.gz MAKLJOPBPWQBQH-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000336315456 387142517 /nfs/dbraw/zinc/14/25/17/387142517.db2.gz IYADARIMNNMBAE-VHSXEESVSA-N 1 2 237.303 0.587 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000353387653 387192560 /nfs/dbraw/zinc/19/25/60/387192560.db2.gz ZGGHAQXFXXHLSN-SECBINFHSA-N 1 2 211.265 0.697 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000353387653 387192563 /nfs/dbraw/zinc/19/25/63/387192563.db2.gz ZGGHAQXFXXHLSN-SECBINFHSA-N 1 2 211.265 0.697 20 0 BCADLO Cc1cncc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000359709503 387152657 /nfs/dbraw/zinc/15/26/57/387152657.db2.gz UKGNGVPEKYFJDD-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000359709503 387152661 /nfs/dbraw/zinc/15/26/61/387152661.db2.gz UKGNGVPEKYFJDD-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](O)C1CCC1 ZINC000571775739 387169145 /nfs/dbraw/zinc/16/91/45/387169145.db2.gz GPSKLSFIDMAXPK-LLVKDONJSA-N 1 2 237.303 0.680 20 0 BCADLO C[N@H+](CCCO)Cc1nnc2n1CCCCC2 ZINC000371203764 387171608 /nfs/dbraw/zinc/17/16/08/387171608.db2.gz CQJXVPDYYIRGEI-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO C[N@@H+](CCCO)Cc1nnc2n1CCCCC2 ZINC000371203764 387171612 /nfs/dbraw/zinc/17/16/12/387171612.db2.gz CQJXVPDYYIRGEI-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO O=C(COC(F)F)NCc1c[nH+]c[nH]1 ZINC000353288545 387173529 /nfs/dbraw/zinc/17/35/29/387173529.db2.gz QSTGWOVOMDPRTO-UHFFFAOYSA-N 1 2 205.164 0.265 20 0 BCADLO O=C(COC(F)F)NCc1c[nH]c[nH+]1 ZINC000353288545 387173537 /nfs/dbraw/zinc/17/35/37/387173537.db2.gz QSTGWOVOMDPRTO-UHFFFAOYSA-N 1 2 205.164 0.265 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229509261 387175741 /nfs/dbraw/zinc/17/57/41/387175741.db2.gz VWXUWXLBKNZYIA-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229509261 387175744 /nfs/dbraw/zinc/17/57/44/387175744.db2.gz VWXUWXLBKNZYIA-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO COC(=O)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571818211 387177289 /nfs/dbraw/zinc/17/72/89/387177289.db2.gz OQDYVTAMZVTXIL-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571818211 387177293 /nfs/dbraw/zinc/17/72/93/387177293.db2.gz OQDYVTAMZVTXIL-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C[C@@H]1F ZINC000424587385 387193801 /nfs/dbraw/zinc/19/38/01/387193801.db2.gz UGEKNSZAXYZPEZ-WPRPVWTQSA-N 1 2 211.240 0.747 20 0 BCADLO COC[C@H]([NH2+]CC(F)(F)CN)C(C)C ZINC000423340251 387188326 /nfs/dbraw/zinc/18/83/26/387188326.db2.gz JEBARUYJTXYWGQ-QMMMGPOBSA-N 1 2 210.268 0.841 20 0 BCADLO C[N@H+](Cc1nccs1)[C@]1(CO)CCOC1 ZINC000359605382 387134649 /nfs/dbraw/zinc/13/46/49/387134649.db2.gz UYUNUUMGRIEASR-JTQLQIEISA-N 1 2 228.317 0.726 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@]1(CO)CCOC1 ZINC000359605382 387134654 /nfs/dbraw/zinc/13/46/54/387134654.db2.gz UYUNUUMGRIEASR-JTQLQIEISA-N 1 2 228.317 0.726 20 0 BCADLO CCN(CCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000359641557 387138021 /nfs/dbraw/zinc/13/80/21/387138021.db2.gz XFCDOEHOXKMEAL-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO CCOC[C@H](O)C[N@H+](CC)Cc1cn(C)nn1 ZINC000359639935 387139040 /nfs/dbraw/zinc/13/90/40/387139040.db2.gz URMWJCKMSMLSPB-LLVKDONJSA-N 1 2 242.323 0.034 20 0 BCADLO CCOC[C@H](O)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000359639935 387139044 /nfs/dbraw/zinc/13/90/44/387139044.db2.gz URMWJCKMSMLSPB-LLVKDONJSA-N 1 2 242.323 0.034 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000353486575 387211825 /nfs/dbraw/zinc/21/18/25/387211825.db2.gz BSHAPAQAHCPELB-UHFFFAOYSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000353486575 387211834 /nfs/dbraw/zinc/21/18/34/387211834.db2.gz BSHAPAQAHCPELB-UHFFFAOYSA-N 1 2 213.306 0.802 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H]2F)C1 ZINC000424625818 387225394 /nfs/dbraw/zinc/22/53/94/387225394.db2.gz LJVCANAJRFPEDR-FXPVBKGRSA-N 1 2 230.283 0.181 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H]2F)C1 ZINC000424625818 387225400 /nfs/dbraw/zinc/22/54/00/387225400.db2.gz LJVCANAJRFPEDR-FXPVBKGRSA-N 1 2 230.283 0.181 20 0 BCADLO C[C@](O)(CO)CNc1cc[nH+]c2ccncc12 ZINC000360123669 387230241 /nfs/dbraw/zinc/23/02/41/387230241.db2.gz PPCUVWLQBVPQSO-GFCCVEGCSA-N 1 2 233.271 0.207 20 0 BCADLO Cn1nnc(C[N@H+](C)CC[C@@H]2CCCO2)n1 ZINC000572101817 387231428 /nfs/dbraw/zinc/23/14/28/387231428.db2.gz ZDPZISOVSZGXPD-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnc(C[N@@H+](C)CC[C@@H]2CCCO2)n1 ZINC000572101817 387231436 /nfs/dbraw/zinc/23/14/36/387231436.db2.gz ZDPZISOVSZGXPD-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)=CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000360154455 387234473 /nfs/dbraw/zinc/23/44/73/387234473.db2.gz SCOWUYVHUKWMKY-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360200632 387242774 /nfs/dbraw/zinc/24/27/74/387242774.db2.gz XTWVIVFXVRQTGJ-UWVGGRQHSA-N 1 2 239.319 0.987 20 0 BCADLO c1[nH]c(CN2CCn3c(nnc3C3CC3)C2)c[nH+]1 ZINC000353631858 387246551 /nfs/dbraw/zinc/24/65/51/387246551.db2.gz NDDKJIXUMRVSNT-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO Cn1cc(C[N@@H+]2CCOCC3(CCC3)C2)nn1 ZINC000353642912 387248346 /nfs/dbraw/zinc/24/83/46/387248346.db2.gz UYWAIFZZZHABPN-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO Cn1cc(C[N@H+]2CCOCC3(CCC3)C2)nn1 ZINC000353642912 387248353 /nfs/dbraw/zinc/24/83/53/387248353.db2.gz UYWAIFZZZHABPN-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cnc[nH]1 ZINC000353646346 387249235 /nfs/dbraw/zinc/24/92/35/387249235.db2.gz DARJWBVWCYHZOW-ZJUUUORDSA-N 1 2 220.276 0.263 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cnc[nH]1 ZINC000353646346 387249238 /nfs/dbraw/zinc/24/92/38/387249238.db2.gz DARJWBVWCYHZOW-ZJUUUORDSA-N 1 2 220.276 0.263 20 0 BCADLO Cc1nnc2n1CC[N@@H+](Cc1cccn1C)C2 ZINC000371378997 387200643 /nfs/dbraw/zinc/20/06/43/387200643.db2.gz LGBJUBONRZKORO-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nnc2n1CC[N@H+](Cc1cccn1C)C2 ZINC000371378997 387200647 /nfs/dbraw/zinc/20/06/47/387200647.db2.gz LGBJUBONRZKORO-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000360262257 387252446 /nfs/dbraw/zinc/25/24/46/387252446.db2.gz RDTFAESAPBFQHP-BDAKNGLRSA-N 1 2 225.292 0.945 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000360262257 387252451 /nfs/dbraw/zinc/25/24/51/387252451.db2.gz RDTFAESAPBFQHP-BDAKNGLRSA-N 1 2 225.292 0.945 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnn(C)c1 ZINC000572301677 387312025 /nfs/dbraw/zinc/31/20/25/387312025.db2.gz LVODTTGSABVMHY-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cnn(C)c1 ZINC000572301677 387312026 /nfs/dbraw/zinc/31/20/26/387312026.db2.gz LVODTTGSABVMHY-VIFPVBQESA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H](CF)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000360592627 387316891 /nfs/dbraw/zinc/31/68/91/387316891.db2.gz AUBFPHOHNQJMDO-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO CC(C)(O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000188107957 387254224 /nfs/dbraw/zinc/25/42/24/387254224.db2.gz GFJYOEFKECVYPI-UHFFFAOYSA-N 1 2 247.298 0.764 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000572180664 387259631 /nfs/dbraw/zinc/25/96/31/387259631.db2.gz LXAZZXMSMGBUEI-RYUDHWBXSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H](O)C(F)F ZINC000230234675 387262517 /nfs/dbraw/zinc/26/25/17/387262517.db2.gz HDXGOQACOFTDOT-SSDOTTSWSA-N 1 2 233.218 0.015 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(F)C1 ZINC000336444868 387272533 /nfs/dbraw/zinc/27/25/33/387272533.db2.gz AWQDIQAXRHYPKT-QMMMGPOBSA-N 1 2 226.255 0.635 20 0 BCADLO CCC[C@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000231688227 387278561 /nfs/dbraw/zinc/27/85/61/387278561.db2.gz NWBUYVXNFRERPC-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](C)S(C)(=O)=O)[nH]c1C ZINC000514734601 387282169 /nfs/dbraw/zinc/28/21/69/387282169.db2.gz ILDNXLBHEYDCLU-ZETCQYMHSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1[nH]c(CNC[C@H](C)S(C)(=O)=O)[nH+]c1C ZINC000514734601 387282173 /nfs/dbraw/zinc/28/21/73/387282173.db2.gz ILDNXLBHEYDCLU-ZETCQYMHSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1nnc2n1CC[N@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000372254891 387288109 /nfs/dbraw/zinc/28/81/09/387288109.db2.gz ISEXYXDSDQHQAT-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nnc2n1CC[N@@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000372254891 387288114 /nfs/dbraw/zinc/28/81/14/387288114.db2.gz ISEXYXDSDQHQAT-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H]2CCOC(=O)[C@H]21 ZINC000372350294 387293478 /nfs/dbraw/zinc/29/34/78/387293478.db2.gz WOMCTECKJQQPRC-ONGXEEELSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372350292 387294288 /nfs/dbraw/zinc/29/42/88/387294288.db2.gz WOMCTECKJQQPRC-MWLCHTKSSA-N 1 2 235.287 0.558 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000514899231 387303479 /nfs/dbraw/zinc/30/34/79/387303479.db2.gz OIOKLSYADCJAPF-VMZHVLLKSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000514870302 387305606 /nfs/dbraw/zinc/30/56/06/387305606.db2.gz HOSKEQYFNJKRQQ-CABZTGNLSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000514870302 387305609 /nfs/dbraw/zinc/30/56/09/387305609.db2.gz HOSKEQYFNJKRQQ-CABZTGNLSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H](CCCO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360815222 387354302 /nfs/dbraw/zinc/35/43/02/387354302.db2.gz BYMVFNWKPVVJSX-JGVFFNPUSA-N 1 2 236.262 0.261 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCO[C@H]1C)CC2 ZINC000373301436 387356462 /nfs/dbraw/zinc/35/64/62/387356462.db2.gz LAIFFCXYQZLQOL-WDEREUQCSA-N 1 2 249.314 0.959 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287061106 387357042 /nfs/dbraw/zinc/35/70/42/387357042.db2.gz AUWMHUUSMAJUAV-RKDXNWHRSA-N 1 2 239.323 0.208 20 0 BCADLO COC(=O)[C@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000354331825 387361103 /nfs/dbraw/zinc/36/11/03/387361103.db2.gz SMURBSWXOOIQFW-MRVPVSSYSA-N 1 2 236.271 0.950 20 0 BCADLO COC(=O)[C@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354335444 387361612 /nfs/dbraw/zinc/36/16/12/387361612.db2.gz RVKLVSHPOASCBL-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354362464 387365298 /nfs/dbraw/zinc/36/52/98/387365298.db2.gz NDUIJQZCXXVCJM-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO Cc1nc(N2CCNC(=O)CC2)c(C)c(C)[nH+]1 ZINC000354383640 387368245 /nfs/dbraw/zinc/36/82/45/387368245.db2.gz KVBGOAQMOUTFEB-UHFFFAOYSA-N 1 2 234.303 0.728 20 0 BCADLO CCC[C@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336548132 387370547 /nfs/dbraw/zinc/37/05/47/387370547.db2.gz SSCXAEHXWZYDHJ-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336548132 387370551 /nfs/dbraw/zinc/37/05/51/387370551.db2.gz SSCXAEHXWZYDHJ-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336548132 387370556 /nfs/dbraw/zinc/37/05/56/387370556.db2.gz SSCXAEHXWZYDHJ-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO CCC[C@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336548132 387370561 /nfs/dbraw/zinc/37/05/61/387370561.db2.gz SSCXAEHXWZYDHJ-QMMMGPOBSA-N 1 2 210.281 0.988 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000354388294 387370601 /nfs/dbraw/zinc/37/06/01/387370601.db2.gz KVTABSDQJUFTIE-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO O=C1[C@@H](N2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000336553471 387375560 /nfs/dbraw/zinc/37/55/60/387375560.db2.gz HBBPFJYWTZYPJZ-NSHDSACASA-N 1 2 246.314 0.462 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354438718 387377424 /nfs/dbraw/zinc/37/74/24/387377424.db2.gz PBPDTVIHDPDWSC-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO COc1cc(C(=O)NCCn2cc[nH+]c2)nn1C ZINC000360976171 387377621 /nfs/dbraw/zinc/37/76/21/387377621.db2.gz URGSLRMSLZUTCN-UHFFFAOYSA-N 1 2 249.274 0.055 20 0 BCADLO Cn1c[nH+]cc1CN1CC[S@](=O)CC1(C)C ZINC000336554428 387377772 /nfs/dbraw/zinc/37/77/72/387377772.db2.gz MMAMIDWXXQPYLX-INIZCTEOSA-N 1 2 241.360 0.763 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000373521912 387378343 /nfs/dbraw/zinc/37/83/43/387378343.db2.gz ONEUOEHINPTQGU-LBPRGKRZSA-N 1 2 240.303 0.246 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000373521912 387378348 /nfs/dbraw/zinc/37/83/48/387378348.db2.gz ONEUOEHINPTQGU-LBPRGKRZSA-N 1 2 240.303 0.246 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336557028 387381323 /nfs/dbraw/zinc/38/13/23/387381323.db2.gz XTXBIDXDGOPLHY-RKDXNWHRSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336557028 387381327 /nfs/dbraw/zinc/38/13/27/387381327.db2.gz XTXBIDXDGOPLHY-RKDXNWHRSA-N 1 2 202.273 0.897 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CCOC1 ZINC000336558232 387381904 /nfs/dbraw/zinc/38/19/04/387381904.db2.gz GMHRTXUFEMVCGB-GFCCVEGCSA-N 1 2 237.303 0.805 20 0 BCADLO COC[C@@H]1CCN1Cc1[nH+]cc(C)n1C ZINC000354058552 387322399 /nfs/dbraw/zinc/32/23/99/387322399.db2.gz IQTFKUGCOZSVHI-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1ncc(C)n1C ZINC000354058552 387322407 /nfs/dbraw/zinc/32/24/07/387322407.db2.gz IQTFKUGCOZSVHI-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1ncc(C)n1C ZINC000354058552 387322414 /nfs/dbraw/zinc/32/24/14/387322414.db2.gz IQTFKUGCOZSVHI-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000360608623 387323246 /nfs/dbraw/zinc/32/32/46/387323246.db2.gz VWWQTNNZBNTUKT-DTWKUNHWSA-N 1 2 225.267 0.920 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1c[nH+]cn1C ZINC000572331870 387324769 /nfs/dbraw/zinc/32/47/69/387324769.db2.gz VSGWSWXNQUMXDM-JTQLQIEISA-N 1 2 225.292 0.851 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccon1 ZINC000390433158 387326243 /nfs/dbraw/zinc/32/62/43/387326243.db2.gz AXHMCCVTNONLHZ-RKDXNWHRSA-N 1 2 244.316 0.902 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C2CC2)C1 ZINC000373588143 387382748 /nfs/dbraw/zinc/38/27/48/387382748.db2.gz JWFOQTUWICAMAE-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000373588143 387382755 /nfs/dbraw/zinc/38/27/55/387382755.db2.gz JWFOQTUWICAMAE-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO CC(C)N(C)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000336514129 387337708 /nfs/dbraw/zinc/33/77/08/387337708.db2.gz HAPMUBWLCZDNLW-QWRGUYRKSA-N 1 2 228.336 0.962 20 0 BCADLO C[C@H](C(N)=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372999086 387338813 /nfs/dbraw/zinc/33/88/13/387338813.db2.gz RRANEXLUPOPKEP-SECBINFHSA-N 1 2 236.319 0.525 20 0 BCADLO COC(=O)[C@@H](CNc1cc[nH+]c(C)n1)OC ZINC000292150707 387350248 /nfs/dbraw/zinc/35/02/48/387350248.db2.gz CGXBOHLEGPYQLQ-MRVPVSSYSA-N 1 2 225.248 0.385 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000194440416 387425946 /nfs/dbraw/zinc/42/59/46/387425946.db2.gz QCIPJIYYQBLFPX-DTORHVGOSA-N 1 2 207.281 0.442 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000194440416 387425949 /nfs/dbraw/zinc/42/59/49/387425949.db2.gz QCIPJIYYQBLFPX-DTORHVGOSA-N 1 2 207.281 0.442 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)C[C@H](O)CO)[nH+]1 ZINC000354831201 387435541 /nfs/dbraw/zinc/43/55/41/387435541.db2.gz UPTGSUJFTHTIIM-QMMMGPOBSA-N 1 2 236.275 0.056 20 0 BCADLO Cn1cc(N2CC[C@H]([NH2+]Cc3ccn[nH]3)C2)cn1 ZINC000374248150 387436078 /nfs/dbraw/zinc/43/60/78/387436078.db2.gz VKEQBMHATNJJSX-NSHDSACASA-N 1 2 246.318 0.512 20 0 BCADLO COCc1nc(C[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352702309 387442090 /nfs/dbraw/zinc/44/20/90/387442090.db2.gz XHGJJBIHWWASLS-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352702309 387442094 /nfs/dbraw/zinc/44/20/94/387442094.db2.gz XHGJJBIHWWASLS-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352698485 387443360 /nfs/dbraw/zinc/44/33/60/387443360.db2.gz MZUQPPXQYWQAJM-UWVGGRQHSA-N 1 2 240.303 0.101 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352698485 387443363 /nfs/dbraw/zinc/44/33/63/387443363.db2.gz MZUQPPXQYWQAJM-UWVGGRQHSA-N 1 2 240.303 0.101 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000374395774 387448461 /nfs/dbraw/zinc/44/84/61/387448461.db2.gz VQQXQCASANRRIX-QNCMIEPLSA-N 1 2 237.347 0.459 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCO)n1 ZINC000304221300 387451379 /nfs/dbraw/zinc/45/13/79/387451379.db2.gz DZSAYSRONWTVLW-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCO)n1 ZINC000304221300 387451385 /nfs/dbraw/zinc/45/13/85/387451385.db2.gz DZSAYSRONWTVLW-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CCN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336567325 387391989 /nfs/dbraw/zinc/39/19/89/387391989.db2.gz YLFIYVSKZYTTPT-MRVPVSSYSA-N 1 2 222.292 0.928 20 0 BCADLO CCN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336567325 387391993 /nfs/dbraw/zinc/39/19/93/387391993.db2.gz YLFIYVSKZYTTPT-MRVPVSSYSA-N 1 2 222.292 0.928 20 0 BCADLO Cn1nnnc1C[N@H+](C)Cc1ccccc1 ZINC000354990440 387460259 /nfs/dbraw/zinc/46/02/59/387460259.db2.gz BXMFSCRPMDCHKC-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nnnc1C[N@@H+](C)Cc1ccccc1 ZINC000354990440 387460264 /nfs/dbraw/zinc/46/02/64/387460264.db2.gz BXMFSCRPMDCHKC-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000303796475 387399745 /nfs/dbraw/zinc/39/97/45/387399745.db2.gz BIPJXPSKFZMNSR-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000303796475 387399748 /nfs/dbraw/zinc/39/97/48/387399748.db2.gz BIPJXPSKFZMNSR-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373936975 387405005 /nfs/dbraw/zinc/40/50/05/387405005.db2.gz XKAXCTWCRLWSBK-PWSUYJOCSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373936975 387405010 /nfs/dbraw/zinc/40/50/10/387405010.db2.gz XKAXCTWCRLWSBK-PWSUYJOCSA-N 1 2 247.298 0.972 20 0 BCADLO Cn1cnc(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000354642280 387409631 /nfs/dbraw/zinc/40/96/31/387409631.db2.gz OHTJFSFEVTYGNM-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000423771803 387420946 /nfs/dbraw/zinc/42/09/46/387420946.db2.gz JVECPVLXZJBBEV-VIFPVBQESA-N 1 2 237.259 0.023 20 0 BCADLO CC(C)CC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000361244140 387421544 /nfs/dbraw/zinc/42/15/44/387421544.db2.gz LRFOBLBEXCSZCG-LLVKDONJSA-N 1 2 233.377 0.848 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000516295669 387497338 /nfs/dbraw/zinc/49/73/38/387497338.db2.gz XEUKBOBFJQLBNU-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000516295669 387497345 /nfs/dbraw/zinc/49/73/45/387497345.db2.gz XEUKBOBFJQLBNU-WDEREUQCSA-N 1 2 238.331 0.908 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000085793518 387502463 /nfs/dbraw/zinc/50/24/63/387502463.db2.gz SUIFPQSPELPUGE-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000085793518 387502467 /nfs/dbraw/zinc/50/24/67/387502467.db2.gz SUIFPQSPELPUGE-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395901689 387503652 /nfs/dbraw/zinc/50/36/52/387503652.db2.gz KPQYPLIDCMISHY-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395901689 387503657 /nfs/dbraw/zinc/50/36/57/387503657.db2.gz KPQYPLIDCMISHY-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCOCC[C@@H]1C ZINC000375002569 387506506 /nfs/dbraw/zinc/50/65/06/387506506.db2.gz HCRUIHFUAZBKLS-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCOCC[C@@H]1C ZINC000375002569 387506510 /nfs/dbraw/zinc/50/65/10/387506510.db2.gz HCRUIHFUAZBKLS-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000527182573 387517552 /nfs/dbraw/zinc/51/75/52/387517552.db2.gz BFGDLKHPAGKKGU-GARJFASQSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000527182573 387517556 /nfs/dbraw/zinc/51/75/56/387517556.db2.gz BFGDLKHPAGKKGU-GARJFASQSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)C[C@@H]1C ZINC000527182575 387517678 /nfs/dbraw/zinc/51/76/78/387517678.db2.gz BFGDLKHPAGKKGU-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)C[C@@H]1C ZINC000527182575 387517683 /nfs/dbraw/zinc/51/76/83/387517683.db2.gz BFGDLKHPAGKKGU-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000355351619 387522637 /nfs/dbraw/zinc/52/26/37/387522637.db2.gz DUWUILSOCLTOIK-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(C)cn1 ZINC000355351619 387522640 /nfs/dbraw/zinc/52/26/40/387522640.db2.gz DUWUILSOCLTOIK-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H](C)O)CCCCC1 ZINC000192722955 387525709 /nfs/dbraw/zinc/52/57/09/387525709.db2.gz GQVIBYPYMFUXHU-SECBINFHSA-N 1 2 215.293 0.833 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccncn1 ZINC000397037085 387533515 /nfs/dbraw/zinc/53/35/15/387533515.db2.gz GCJOZPZOHSQSSP-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO Cn1cccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375421224 387538891 /nfs/dbraw/zinc/53/88/91/387538891.db2.gz DWBZJAXNQBRXOH-VIFPVBQESA-N 1 2 243.257 0.639 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375421671 387539198 /nfs/dbraw/zinc/53/91/98/387539198.db2.gz KKGWBYFGEPSLFW-CSMHCCOUSA-N 1 2 236.262 0.117 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H](C)O)CC1=O ZINC000192810881 387539249 /nfs/dbraw/zinc/53/92/49/387539249.db2.gz RPVCNRUGZCAPGZ-JTQLQIEISA-N 1 2 214.309 0.167 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H](C)O)CC1=O ZINC000192810881 387539253 /nfs/dbraw/zinc/53/92/53/387539253.db2.gz RPVCNRUGZCAPGZ-JTQLQIEISA-N 1 2 214.309 0.167 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000352723133 387462693 /nfs/dbraw/zinc/46/26/93/387462693.db2.gz COUJBLRSNMLGAP-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000352723133 387462696 /nfs/dbraw/zinc/46/26/96/387462696.db2.gz COUJBLRSNMLGAP-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477187 387467429 /nfs/dbraw/zinc/46/74/29/387467429.db2.gz GJKIXSGCGXRIIU-GHMZBOCLSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477187 387467436 /nfs/dbraw/zinc/46/74/36/387467436.db2.gz GJKIXSGCGXRIIU-GHMZBOCLSA-N 1 2 241.287 0.660 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC(OC(C)C)C1)[C@H](C)O ZINC000355056596 387472867 /nfs/dbraw/zinc/47/28/67/387472867.db2.gz NIPWODRGHNAPOX-PMUOWJKOSA-N 1 2 245.319 0.454 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCCO1)CC2 ZINC000374664246 387476085 /nfs/dbraw/zinc/47/60/85/387476085.db2.gz ODICISXDOJZSPF-JTQLQIEISA-N 1 2 235.287 0.713 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000361512804 387477385 /nfs/dbraw/zinc/47/73/85/387477385.db2.gz RHRCPLTZWHHVPO-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000361512804 387477390 /nfs/dbraw/zinc/47/73/90/387477390.db2.gz RHRCPLTZWHHVPO-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000361515516 387477568 /nfs/dbraw/zinc/47/75/68/387477568.db2.gz YENMQOQLQVIDMN-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000361515516 387477572 /nfs/dbraw/zinc/47/75/72/387477572.db2.gz YENMQOQLQVIDMN-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1nnnn1C ZINC000361560584 387489127 /nfs/dbraw/zinc/48/91/27/387489127.db2.gz HBAXJFIKNKIMAK-IUCAKERBSA-N 1 2 227.312 0.628 20 0 BCADLO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1nnnn1C ZINC000361560584 387489131 /nfs/dbraw/zinc/48/91/31/387489131.db2.gz HBAXJFIKNKIMAK-IUCAKERBSA-N 1 2 227.312 0.628 20 0 BCADLO CC[N@H+](C[C@H](C)OC)[C@H](C)c1nnnn1C ZINC000361560583 387490485 /nfs/dbraw/zinc/49/04/85/387490485.db2.gz HBAXJFIKNKIMAK-DTWKUNHWSA-N 1 2 227.312 0.628 20 0 BCADLO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1nnnn1C ZINC000361560583 387490488 /nfs/dbraw/zinc/49/04/88/387490488.db2.gz HBAXJFIKNKIMAK-DTWKUNHWSA-N 1 2 227.312 0.628 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355172502 387493185 /nfs/dbraw/zinc/49/31/85/387493185.db2.gz OLTSXRRGDOUPEY-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355172502 387493188 /nfs/dbraw/zinc/49/31/88/387493188.db2.gz OLTSXRRGDOUPEY-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000375814072 387585162 /nfs/dbraw/zinc/58/51/62/387585162.db2.gz MAXMIKDXINIMHK-CMPLNLGQSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000375814072 387585166 /nfs/dbraw/zinc/58/51/66/387585166.db2.gz MAXMIKDXINIMHK-CMPLNLGQSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000375814074 387585296 /nfs/dbraw/zinc/58/52/96/387585296.db2.gz MAXMIKDXINIMHK-PWSUYJOCSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000375814074 387585298 /nfs/dbraw/zinc/58/52/98/387585298.db2.gz MAXMIKDXINIMHK-PWSUYJOCSA-N 1 2 249.314 0.915 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCCNC1=O ZINC000362211858 387585436 /nfs/dbraw/zinc/58/54/36/387585436.db2.gz DPNMLEUDUJATOD-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCCNC1=O ZINC000362211858 387585440 /nfs/dbraw/zinc/58/54/40/387585440.db2.gz DPNMLEUDUJATOD-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccon1 ZINC000123553636 387586752 /nfs/dbraw/zinc/58/67/52/387586752.db2.gz UIPQJQVOFBRJJE-LLVKDONJSA-N 1 2 242.275 0.732 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000375929729 387593764 /nfs/dbraw/zinc/59/37/64/387593764.db2.gz DCYAEFRBJSSLOO-VIFPVBQESA-N 1 2 243.332 0.559 20 0 BCADLO O=C1OCC[C@H]2CC[N@@H+](CCOCC(F)F)[C@H]12 ZINC000376411005 387628745 /nfs/dbraw/zinc/62/87/45/387628745.db2.gz CJTRFRLUWNOLEH-SCZZXKLOSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@H]2CC[N@H+](CCOCC(F)F)[C@H]12 ZINC000376411005 387628748 /nfs/dbraw/zinc/62/87/48/387628748.db2.gz CJTRFRLUWNOLEH-SCZZXKLOSA-N 1 2 249.257 0.906 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ccn1 ZINC000527539054 387608815 /nfs/dbraw/zinc/60/88/15/387608815.db2.gz OPUOACYJTDWOSV-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ccn1 ZINC000527539054 387608820 /nfs/dbraw/zinc/60/88/20/387608820.db2.gz OPUOACYJTDWOSV-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[NH+]2CCN(C(=O)CO)CC2)ccn1 ZINC000527539625 387609560 /nfs/dbraw/zinc/60/95/60/387609560.db2.gz QTXXIHWFOGSPMT-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000124337434 387613876 /nfs/dbraw/zinc/61/38/76/387613876.db2.gz JCEVBGJSCHYUGA-TUAOUCFPSA-N 1 2 249.314 0.503 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)N(C)C)CCO1 ZINC000362475303 387616084 /nfs/dbraw/zinc/61/60/84/387616084.db2.gz YCPCAKMRQGKFET-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)N(C)C)CCO1 ZINC000362475303 387616089 /nfs/dbraw/zinc/61/60/89/387616089.db2.gz YCPCAKMRQGKFET-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CC(C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356123670 387618361 /nfs/dbraw/zinc/61/83/61/387618361.db2.gz IVFHTRAAEYLBAL-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356123670 387618366 /nfs/dbraw/zinc/61/83/66/387618366.db2.gz IVFHTRAAEYLBAL-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccno3)[C@H]12 ZINC000376333235 387623520 /nfs/dbraw/zinc/62/35/20/387623520.db2.gz MZNFTQFYFVWDNS-WPRPVWTQSA-N 1 2 222.244 0.812 20 0 BCADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccno3)[C@H]12 ZINC000376333235 387623524 /nfs/dbraw/zinc/62/35/24/387623524.db2.gz MZNFTQFYFVWDNS-WPRPVWTQSA-N 1 2 222.244 0.812 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](CO)C2)ccn1 ZINC000527533652 387624386 /nfs/dbraw/zinc/62/43/86/387624386.db2.gz IYPMMSFESLHRRK-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](CO)C2)ccn1 ZINC000527533652 387624388 /nfs/dbraw/zinc/62/43/88/387624388.db2.gz IYPMMSFESLHRRK-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000375497729 387547081 /nfs/dbraw/zinc/54/70/81/387547081.db2.gz QURGCSFPTSEHEJ-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO COCC[NH+]1CCN(C(=O)C2(C)CCC2)CC1 ZINC000426286603 387552464 /nfs/dbraw/zinc/55/24/64/387552464.db2.gz QAALQMSYVBDCKY-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO O=C1NC[C@]2(CCC[N@H+](Cc3ccno3)C2)O1 ZINC000375571668 387554152 /nfs/dbraw/zinc/55/41/52/387554152.db2.gz PYYZKUFZCBKSCI-NSHDSACASA-N 1 2 237.259 0.749 20 0 BCADLO O=C1NC[C@]2(CCC[N@@H+](Cc3ccno3)C2)O1 ZINC000375571668 387554154 /nfs/dbraw/zinc/55/41/54/387554154.db2.gz PYYZKUFZCBKSCI-NSHDSACASA-N 1 2 237.259 0.749 20 0 BCADLO CC[C@]1(C(=O)NO[C@H]2CCCCO2)CC[NH2+]C1 ZINC000119576415 387554485 /nfs/dbraw/zinc/55/44/85/387554485.db2.gz FYLCEFDOGHNYSG-JQWIXIFHSA-N 1 2 242.319 0.951 20 0 BCADLO C[NH+](C)CC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000361980318 387558010 /nfs/dbraw/zinc/55/80/10/387558010.db2.gz AFCRWHBDLWKGMF-MRXNPFEDSA-N 1 2 240.328 0.924 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnc(OC)c1 ZINC000355628565 387558959 /nfs/dbraw/zinc/55/89/59/387558959.db2.gz ZTZCNKKKTYLRGO-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnc(OC)c1 ZINC000355628565 387558962 /nfs/dbraw/zinc/55/89/62/387558962.db2.gz ZTZCNKKKTYLRGO-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000362085498 387571411 /nfs/dbraw/zinc/57/14/11/387571411.db2.gz HHFNNDCKTUSDJA-WDEREUQCSA-N 1 2 222.292 0.568 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000362085498 387571414 /nfs/dbraw/zinc/57/14/14/387571414.db2.gz HHFNNDCKTUSDJA-WDEREUQCSA-N 1 2 222.292 0.568 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399887634 387574465 /nfs/dbraw/zinc/57/44/65/387574465.db2.gz GTFCLACMYQHTGC-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399887634 387574468 /nfs/dbraw/zinc/57/44/68/387574468.db2.gz GTFCLACMYQHTGC-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000399866616 387575433 /nfs/dbraw/zinc/57/54/33/387575433.db2.gz AIMFBPFCDHWRNM-SNVBAGLBSA-N 1 2 247.298 0.756 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000399866616 387575436 /nfs/dbraw/zinc/57/54/36/387575436.db2.gz AIMFBPFCDHWRNM-SNVBAGLBSA-N 1 2 247.298 0.756 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332813285 387576086 /nfs/dbraw/zinc/57/60/86/387576086.db2.gz PRSCMTAICGHRCP-RNCFNFMXSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332813285 387576088 /nfs/dbraw/zinc/57/60/88/387576088.db2.gz PRSCMTAICGHRCP-RNCFNFMXSA-N 1 2 249.314 0.544 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332777722 387576143 /nfs/dbraw/zinc/57/61/43/387576143.db2.gz QMYWPLICDFMERR-KBVBSXBZSA-N 1 2 249.314 0.808 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332777722 387576144 /nfs/dbraw/zinc/57/61/44/387576144.db2.gz QMYWPLICDFMERR-KBVBSXBZSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)CCS1 ZINC000193494106 387576578 /nfs/dbraw/zinc/57/65/78/387576578.db2.gz CNCSKVUNNZIDOP-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)CCS1 ZINC000193494106 387576582 /nfs/dbraw/zinc/57/65/82/387576582.db2.gz CNCSKVUNNZIDOP-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399932572 387576956 /nfs/dbraw/zinc/57/69/56/387576956.db2.gz SKFZBQMBMUEHAC-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399932572 387576961 /nfs/dbraw/zinc/57/69/61/387576961.db2.gz SKFZBQMBMUEHAC-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399893300 387577508 /nfs/dbraw/zinc/57/75/08/387577508.db2.gz ZAZYBJBAYZYZIA-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CCOC[C@H](O)C1 ZINC000399893300 387577513 /nfs/dbraw/zinc/57/75/13/387577513.db2.gz ZAZYBJBAYZYZIA-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H](O)C1 ZINC000527536256 387630892 /nfs/dbraw/zinc/63/08/92/387630892.db2.gz ZMGPTFDWFOJCAN-MGCOHNPYSA-N 1 2 223.276 0.303 20 0 BCADLO Cc1cnc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000124939111 387636059 /nfs/dbraw/zinc/63/60/59/387636059.db2.gz SVLRXDGYVUHPPC-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356349267 387647795 /nfs/dbraw/zinc/64/77/95/387647795.db2.gz HBBOSDNJSOHIRA-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356349267 387647798 /nfs/dbraw/zinc/64/77/98/387647798.db2.gz HBBOSDNJSOHIRA-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO CCOCC[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376531760 387648458 /nfs/dbraw/zinc/64/84/58/387648458.db2.gz HQYKBQLWUKTKNC-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376531760 387648463 /nfs/dbraw/zinc/64/84/63/387648463.db2.gz HQYKBQLWUKTKNC-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356362537 387649954 /nfs/dbraw/zinc/64/99/54/387649954.db2.gz QFVVBUUFBIONNX-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356362537 387649956 /nfs/dbraw/zinc/64/99/56/387649956.db2.gz QFVVBUUFBIONNX-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305787826 387652243 /nfs/dbraw/zinc/65/22/43/387652243.db2.gz YWUPSRNKFUKXMX-NKWVEPMBSA-N 1 2 242.241 0.318 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305787826 387652248 /nfs/dbraw/zinc/65/22/48/387652248.db2.gz YWUPSRNKFUKXMX-NKWVEPMBSA-N 1 2 242.241 0.318 20 0 BCADLO CC[C@H](CCO)NC(=O)CCc1c[nH+]cn1C ZINC000356395365 387653833 /nfs/dbraw/zinc/65/38/33/387653833.db2.gz ODVQXZJHLIYHSK-SNVBAGLBSA-N 1 2 239.319 0.630 20 0 BCADLO COCc1nc(C[N@H+](C[C@H](C)O)C(C)C)no1 ZINC000305822392 387660398 /nfs/dbraw/zinc/66/03/98/387660398.db2.gz BOLSWROKIPDVSZ-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO COCc1nc(C[N@@H+](C[C@H](C)O)C(C)C)no1 ZINC000305822392 387660401 /nfs/dbraw/zinc/66/04/01/387660401.db2.gz BOLSWROKIPDVSZ-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO C[C@H](CNC(=O)c1cn(C)nn1)Cn1cc[nH+]c1 ZINC000362817588 387662640 /nfs/dbraw/zinc/66/26/40/387662640.db2.gz MNABWFDOCRLORM-SECBINFHSA-N 1 2 248.290 0.078 20 0 BCADLO O[C@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000527756492 387695720 /nfs/dbraw/zinc/69/57/20/387695720.db2.gz DXVNYXREHROEJY-NXEZZACHSA-N 1 2 211.265 0.039 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440786058 387695746 /nfs/dbraw/zinc/69/57/46/387695746.db2.gz SCEKMVKHMUSFPJ-DTWKUNHWSA-N 1 2 228.271 0.060 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440786058 387695747 /nfs/dbraw/zinc/69/57/47/387695747.db2.gz SCEKMVKHMUSFPJ-DTWKUNHWSA-N 1 2 228.271 0.060 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000305882977 387665447 /nfs/dbraw/zinc/66/54/47/387665447.db2.gz WGYZRCRGWNIBCA-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000305882977 387665453 /nfs/dbraw/zinc/66/54/53/387665453.db2.gz WGYZRCRGWNIBCA-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO Cn1nnc(CNc2cc[nH+]c3ccncc23)n1 ZINC000362853621 387665885 /nfs/dbraw/zinc/66/58/85/387665885.db2.gz LTOPZPLXCRVZRV-UHFFFAOYSA-N 1 2 241.258 0.187 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)n1 ZINC000356520471 387669801 /nfs/dbraw/zinc/66/98/01/387669801.db2.gz SLELLKNMOBLORM-ZETCQYMHSA-N 1 2 240.307 0.943 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000440784860 387696028 /nfs/dbraw/zinc/69/60/28/387696028.db2.gz JEPGONJBQQLMND-JTQLQIEISA-N 1 2 245.342 0.616 20 0 BCADLO CC[C@H](F)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000440784860 387696036 /nfs/dbraw/zinc/69/60/36/387696036.db2.gz JEPGONJBQQLMND-JTQLQIEISA-N 1 2 245.342 0.616 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccc3c[nH]nc32)n1 ZINC000362960656 387680264 /nfs/dbraw/zinc/68/02/64/387680264.db2.gz QOYMHHFGOQWCHX-UHFFFAOYSA-N 1 2 243.274 0.376 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000527735176 387681595 /nfs/dbraw/zinc/68/15/95/387681595.db2.gz OAVJWHQIOWILME-UHFFFAOYSA-N 1 2 220.280 0.321 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cnc(C)nc2)n1 ZINC000527736105 387682937 /nfs/dbraw/zinc/68/29/37/387682937.db2.gz QDYKCXFMLPXJGR-UHFFFAOYSA-N 1 2 232.291 0.686 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528771051 387687905 /nfs/dbraw/zinc/68/79/05/387687905.db2.gz VNTCMGSUHYBHKH-ZETCQYMHSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528771051 387687908 /nfs/dbraw/zinc/68/79/08/387687908.db2.gz VNTCMGSUHYBHKH-ZETCQYMHSA-N 1 2 249.261 0.562 20 0 BCADLO CC[C@@](C)(CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000521458158 387744632 /nfs/dbraw/zinc/74/46/32/387744632.db2.gz CZTXKTAMFZLBHW-LBPRGKRZSA-N 1 2 237.303 0.675 20 0 BCADLO COC[C@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000432090468 387751641 /nfs/dbraw/zinc/75/16/41/387751641.db2.gz CHURUXWMTWLBOP-SNVBAGLBSA-N 1 2 238.291 0.313 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527759765 387697430 /nfs/dbraw/zinc/69/74/30/387697430.db2.gz VEOUCGNEUHCETD-WDEREUQCSA-N 1 2 225.292 0.348 20 0 BCADLO C[C@@H](F)CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000356682283 387698775 /nfs/dbraw/zinc/69/87/75/387698775.db2.gz KSMLJPWOWORTKS-GHMZBOCLSA-N 1 2 245.342 0.487 20 0 BCADLO CCOCC[N@H+](C)Cc1ncnn1CCF ZINC000440794864 387702544 /nfs/dbraw/zinc/70/25/44/387702544.db2.gz GHYDHQLSLQIDKZ-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO CCOCC[N@@H+](C)Cc1ncnn1CCF ZINC000440794864 387702550 /nfs/dbraw/zinc/70/25/50/387702550.db2.gz GHYDHQLSLQIDKZ-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO C[C@H](C(=O)NCC[C@H](C)F)[NH+]1CCOCC1 ZINC000356733171 387710268 /nfs/dbraw/zinc/71/02/68/387710268.db2.gz UBZJBCVFYWNHCQ-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000127324669 387712823 /nfs/dbraw/zinc/71/28/23/387712823.db2.gz YSFGMYGLFUJLLR-VHSXEESVSA-N 1 2 247.335 0.656 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000127324669 387712828 /nfs/dbraw/zinc/71/28/28/387712828.db2.gz YSFGMYGLFUJLLR-VHSXEESVSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1nncn1C ZINC000150334510 387716888 /nfs/dbraw/zinc/71/68/88/387716888.db2.gz QMPZJIGIOZFDJV-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1nncn1C ZINC000150334510 387716894 /nfs/dbraw/zinc/71/68/94/387716894.db2.gz QMPZJIGIOZFDJV-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CCC1CC1 ZINC000115358287 387718081 /nfs/dbraw/zinc/71/80/81/387718081.db2.gz KVTZVTQRLMRDKQ-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCNC(=O)CC1 ZINC000367555167 387728575 /nfs/dbraw/zinc/72/85/75/387728575.db2.gz ZEGWYWSCBMNNKN-SNVBAGLBSA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCNC(=O)CC1 ZINC000367555167 387728578 /nfs/dbraw/zinc/72/85/78/387728578.db2.gz ZEGWYWSCBMNNKN-SNVBAGLBSA-N 1 2 242.319 0.396 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000441467337 387762134 /nfs/dbraw/zinc/76/21/34/387762134.db2.gz OZJGOUHGYRWRSR-MGPLVRAMSA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000441467337 387762137 /nfs/dbraw/zinc/76/21/37/387762137.db2.gz OZJGOUHGYRWRSR-MGPLVRAMSA-N 1 2 247.360 0.781 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cccc(CO)n2)c[nH+]1 ZINC000564047610 387812397 /nfs/dbraw/zinc/81/23/97/387812397.db2.gz IBCOWDCUYLIJQZ-UHFFFAOYSA-N 1 2 246.270 0.535 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CO)n1C ZINC000048346862 387781099 /nfs/dbraw/zinc/78/10/99/387781099.db2.gz BCDTVHBJJRKNGV-SNVBAGLBSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@@H]2CO)n1C ZINC000048346862 387781103 /nfs/dbraw/zinc/78/11/03/387781103.db2.gz BCDTVHBJJRKNGV-SNVBAGLBSA-N 1 2 224.308 0.470 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](NC(N)=O)C1 ZINC000527947667 387783901 /nfs/dbraw/zinc/78/39/01/387783901.db2.gz VHTKWZLZHWEVJW-MRVPVSSYSA-N 1 2 236.275 0.337 20 0 BCADLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)NC1CC1 ZINC000378431289 387784485 /nfs/dbraw/zinc/78/44/85/387784485.db2.gz FKEUXSYVEUFZOK-SNVBAGLBSA-N 1 2 234.303 0.825 20 0 BCADLO COC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378432312 387785062 /nfs/dbraw/zinc/78/50/62/387785062.db2.gz HHLMWPNXMZWSMC-QMMMGPOBSA-N 1 2 209.249 0.720 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)N1CCCCC1 ZINC000049715575 387788619 /nfs/dbraw/zinc/78/86/19/387788619.db2.gz CGLSILCIMREWAK-SNVBAGLBSA-N 1 2 236.319 0.900 20 0 BCADLO CCn1ncnc1C[NH+]1CCC(C)(CO)CC1 ZINC000193556373 387795010 /nfs/dbraw/zinc/79/50/10/387795010.db2.gz GTIUPEVIWXACQP-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](CO)[C@@H](O)C1 ZINC000527981664 387798371 /nfs/dbraw/zinc/79/83/71/387798371.db2.gz GFGNFKQRRXAPRQ-UWVGGRQHSA-N 1 2 238.287 0.270 20 0 BCADLO C[C@@H](O)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000432635859 387806853 /nfs/dbraw/zinc/80/68/53/387806853.db2.gz QJJFLEBKZVTNNQ-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000377993219 387758721 /nfs/dbraw/zinc/75/87/21/387758721.db2.gz SFZFULOAUXOUPY-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000377993219 387758722 /nfs/dbraw/zinc/75/87/22/387758722.db2.gz SFZFULOAUXOUPY-SSDOTTSWSA-N 1 2 247.258 0.388 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)C(C)C)C1CC1 ZINC000432821220 387827781 /nfs/dbraw/zinc/82/77/81/387827781.db2.gz WKNNFXOBUZMLPK-JTQLQIEISA-N 1 2 215.293 0.641 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)C(C)C)C1CC1 ZINC000432821220 387827783 /nfs/dbraw/zinc/82/77/83/387827783.db2.gz WKNNFXOBUZMLPK-JTQLQIEISA-N 1 2 215.293 0.641 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCCF)CCO1 ZINC000151469220 387845079 /nfs/dbraw/zinc/84/50/79/387845079.db2.gz OKZBTDLAQYTBQG-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCCF)CCO1 ZINC000151469220 387845082 /nfs/dbraw/zinc/84/50/82/387845082.db2.gz OKZBTDLAQYTBQG-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000433020045 387851031 /nfs/dbraw/zinc/85/10/31/387851031.db2.gz AXMJQDLSEJAXJS-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnn2C)CC[S@@](=O)C1 ZINC000433026300 387852310 /nfs/dbraw/zinc/85/23/10/387852310.db2.gz PBHDWTQKWDDRAH-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CC[S@@](=O)C1 ZINC000433026300 387852312 /nfs/dbraw/zinc/85/23/12/387852312.db2.gz PBHDWTQKWDDRAH-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnn2C)CC[S@](=O)C1 ZINC000433026302 387852449 /nfs/dbraw/zinc/85/24/49/387852449.db2.gz PBHDWTQKWDDRAH-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CC[S@](=O)C1 ZINC000433026302 387852452 /nfs/dbraw/zinc/85/24/52/387852452.db2.gz PBHDWTQKWDDRAH-QFYYESIMSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC[S@](=O)C1 ZINC000433029277 387853368 /nfs/dbraw/zinc/85/33/68/387853368.db2.gz RQPBVVWNDKTFQH-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[S@@](=O)C1 ZINC000433034679 387853460 /nfs/dbraw/zinc/85/34/60/387853460.db2.gz ZNTJQWCLABSJQW-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[S@@](=O)C1 ZINC000433034679 387853463 /nfs/dbraw/zinc/85/34/63/387853463.db2.gz ZNTJQWCLABSJQW-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193707633 387861693 /nfs/dbraw/zinc/86/16/93/387861693.db2.gz KXZIHAJCBFSZKM-LBPRGKRZSA-N 1 2 243.303 0.431 20 0 BCADLO CCOC(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193707633 387861695 /nfs/dbraw/zinc/86/16/95/387861695.db2.gz KXZIHAJCBFSZKM-LBPRGKRZSA-N 1 2 243.303 0.431 20 0 BCADLO COC(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193721909 387861975 /nfs/dbraw/zinc/86/19/75/387861975.db2.gz WAFWOVLLNXVNLV-NSHDSACASA-N 1 2 229.276 0.041 20 0 BCADLO COC(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193721909 387861979 /nfs/dbraw/zinc/86/19/79/387861979.db2.gz WAFWOVLLNXVNLV-NSHDSACASA-N 1 2 229.276 0.041 20 0 BCADLO Cc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000235896529 387866740 /nfs/dbraw/zinc/86/67/40/387866740.db2.gz NPUSIRKMOAMRRH-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO O[C@H]1C[NH+](Cc2c(F)cccc2F)C[C@@H]1O ZINC000236591340 387896648 /nfs/dbraw/zinc/89/66/48/387896648.db2.gz XHNHQBFAPXQPPV-QWRGUYRKSA-N 1 2 229.226 0.502 20 0 BCADLO Nc1c(NCC2COC2)[nH+]cnc1-n1cccn1 ZINC000528225557 387882213 /nfs/dbraw/zinc/88/22/13/387882213.db2.gz IRGTVJHGZQRBAK-UHFFFAOYSA-N 1 2 246.274 0.303 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194621254 387887742 /nfs/dbraw/zinc/88/77/42/387887742.db2.gz BWBDNTXJBWHVIZ-XXZAKMSKSA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194621254 387887749 /nfs/dbraw/zinc/88/77/49/387887749.db2.gz BWBDNTXJBWHVIZ-XXZAKMSKSA-N 1 2 224.304 0.566 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cc(CO)ccc1F ZINC000528348266 387907199 /nfs/dbraw/zinc/90/71/99/387907199.db2.gz AUVUVMPZUAUQMI-UHFFFAOYSA-N 1 2 226.251 0.235 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cc(CO)ccc1F ZINC000528348266 387907200 /nfs/dbraw/zinc/90/72/00/387907200.db2.gz AUVUVMPZUAUQMI-UHFFFAOYSA-N 1 2 226.251 0.235 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ncccc1F ZINC000169930152 387929315 /nfs/dbraw/zinc/92/93/15/387929315.db2.gz HTOAEXHLKUMNNX-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ncn(C)n1 ZINC000438544550 387943579 /nfs/dbraw/zinc/94/35/79/387943579.db2.gz JCTMIFCJFHSZNT-NXEZZACHSA-N 1 2 234.307 0.751 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCCO1 ZINC000158828688 387963668 /nfs/dbraw/zinc/96/36/68/387963668.db2.gz PYPUWHFBBJOPCU-VIFPVBQESA-N 1 2 223.276 0.638 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCc2ncsc2C1 ZINC000445861044 387974789 /nfs/dbraw/zinc/97/47/89/387974789.db2.gz ISUWFHGPYCVVKI-ZCFIWIBFSA-N 1 2 211.290 0.375 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCc2ncsc2C1 ZINC000445861044 387974792 /nfs/dbraw/zinc/97/47/92/387974792.db2.gz ISUWFHGPYCVVKI-ZCFIWIBFSA-N 1 2 211.290 0.375 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446067723 387991351 /nfs/dbraw/zinc/99/13/51/387991351.db2.gz BPJWTIBPGKLZNV-KXUCPTDWSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446067723 387991355 /nfs/dbraw/zinc/99/13/55/387991355.db2.gz BPJWTIBPGKLZNV-KXUCPTDWSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000245837264 387985087 /nfs/dbraw/zinc/98/50/87/387985087.db2.gz DNMPEWPMWSMHPO-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000245837264 387985092 /nfs/dbraw/zinc/98/50/92/387985092.db2.gz DNMPEWPMWSMHPO-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO COCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000159356822 388009057 /nfs/dbraw/zinc/00/90/57/388009057.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 2 243.395 0.494 20 0 BCADLO COCC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000159356822 388009060 /nfs/dbraw/zinc/00/90/60/388009060.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 2 243.395 0.494 20 0 BCADLO COCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159356822 388009063 /nfs/dbraw/zinc/00/90/63/388009063.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 2 243.395 0.494 20 0 BCADLO CCn1ccnc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081902482 388014622 /nfs/dbraw/zinc/01/46/22/388014622.db2.gz BDYAWNHEHJEHTC-VIFPVBQESA-N 1 2 245.348 0.426 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000156711276 388025855 /nfs/dbraw/zinc/02/58/55/388025855.db2.gz UFYMGTPJECARSB-SECBINFHSA-N 1 2 238.291 0.515 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CCOC(=O)CCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451643002 388287274 /nfs/dbraw/zinc/28/72/74/388287274.db2.gz ZUAGHRVUAVMMAW-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451643002 388287275 /nfs/dbraw/zinc/28/72/75/388287275.db2.gz ZUAGHRVUAVMMAW-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451648129 388287747 /nfs/dbraw/zinc/28/77/47/388287747.db2.gz OFPQCLWMUWESKF-SECBINFHSA-N 1 2 215.318 0.987 20 0 BCADLO COC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451648129 388287748 /nfs/dbraw/zinc/28/77/48/388287748.db2.gz OFPQCLWMUWESKF-SECBINFHSA-N 1 2 215.318 0.987 20 0 BCADLO CSC[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451825011 388299387 /nfs/dbraw/zinc/29/93/87/388299387.db2.gz CTYHOKHPBMMUBY-YUMQZZPRSA-N 1 2 243.319 0.658 20 0 BCADLO CSC[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451825011 388299389 /nfs/dbraw/zinc/29/93/89/388299389.db2.gz CTYHOKHPBMMUBY-YUMQZZPRSA-N 1 2 243.319 0.658 20 0 BCADLO COC(=O)CCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451848302 388300409 /nfs/dbraw/zinc/30/04/09/388300409.db2.gz ILFRAOCSMRQTOQ-QMMMGPOBSA-N 1 2 239.262 0.888 20 0 BCADLO COC(=O)CCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451848302 388300410 /nfs/dbraw/zinc/30/04/10/388300410.db2.gz ILFRAOCSMRQTOQ-QMMMGPOBSA-N 1 2 239.262 0.888 20 0 BCADLO C[C@@H](O)C[N@@H+](CC[C@H](C)O)CC(F)F ZINC000451846358 388300710 /nfs/dbraw/zinc/30/07/10/388300710.db2.gz YJJSASGVQRPYAN-JGVFFNPUSA-N 1 2 211.252 0.705 20 0 BCADLO C[C@@H](O)C[N@H+](CC[C@H](C)O)CC(F)F ZINC000451846358 388300711 /nfs/dbraw/zinc/30/07/11/388300711.db2.gz YJJSASGVQRPYAN-JGVFFNPUSA-N 1 2 211.252 0.705 20 0 BCADLO Cn1c[nH+]cc1C[S@](=O)C[C@H]1CCCO1 ZINC000491614300 388304777 /nfs/dbraw/zinc/30/47/77/388304777.db2.gz ZJVZKPXLOXMCQS-BMIGLBTASA-N 1 2 228.317 0.848 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](O)C[C@H]1C ZINC000492039613 388332243 /nfs/dbraw/zinc/33/22/43/388332243.db2.gz IDJABAUUZAAYJP-WQMVXFAESA-N 1 2 249.314 0.898 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/C2CCC2)C1 ZINC000492039548 388332281 /nfs/dbraw/zinc/33/22/81/388332281.db2.gz AHXXNVMRVKOCPS-BTDICHCPSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)/C=C/C2CCC2)C1 ZINC000492039548 388332282 /nfs/dbraw/zinc/33/22/82/388332282.db2.gz AHXXNVMRVKOCPS-BTDICHCPSA-N 1 2 238.331 0.790 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)[nH]1 ZINC000451462413 388275372 /nfs/dbraw/zinc/27/53/72/388275372.db2.gz TYXAPZGBEUNZLA-DTWKUNHWSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)[nH]1 ZINC000451462413 388275374 /nfs/dbraw/zinc/27/53/74/388275374.db2.gz TYXAPZGBEUNZLA-DTWKUNHWSA-N 1 2 224.308 0.712 20 0 BCADLO CC[C@@H](CO)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492380995 388343092 /nfs/dbraw/zinc/34/30/92/388343092.db2.gz RSYWLIWWKKLMNN-PORFMDCZSA-N 1 2 237.303 0.803 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C(N)=O)CC1 ZINC000492407441 388343799 /nfs/dbraw/zinc/34/37/99/388343799.db2.gz JZVDEYSHMGWVHS-ARJAWSKDSA-N 1 2 248.286 0.050 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305826265 388350842 /nfs/dbraw/zinc/35/08/42/388350842.db2.gz SQGHXSABIJGCPW-WDEREUQCSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305826265 388350844 /nfs/dbraw/zinc/35/08/44/388350844.db2.gz SQGHXSABIJGCPW-WDEREUQCSA-N 1 2 238.335 0.798 20 0 BCADLO COC1(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000648782649 388351821 /nfs/dbraw/zinc/35/18/21/388351821.db2.gz VUORPVHSZWGEBE-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1C[C@@](C)(O)C1)n1cc[nH+]c1 ZINC000516576546 388353905 /nfs/dbraw/zinc/35/39/05/388353905.db2.gz VXDYLSBHARIOSG-JBLDHEPKSA-N 1 2 237.303 0.864 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000174567399 388405263 /nfs/dbraw/zinc/40/52/63/388405263.db2.gz ZGLNNRHZFVMEER-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000174567399 388405265 /nfs/dbraw/zinc/40/52/65/388405265.db2.gz ZGLNNRHZFVMEER-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO CC(=O)N1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000572686435 388366922 /nfs/dbraw/zinc/36/69/22/388366922.db2.gz KFCMIQLWPNQRSV-UHFFFAOYSA-N 1 2 234.303 0.762 20 0 BCADLO C[C@@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235397109 388368174 /nfs/dbraw/zinc/36/81/74/388368174.db2.gz GCCFRAQQELLBIO-SECBINFHSA-N 1 2 228.683 0.673 20 0 BCADLO C[C@@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235397109 388368176 /nfs/dbraw/zinc/36/81/76/388368176.db2.gz GCCFRAQQELLBIO-SECBINFHSA-N 1 2 228.683 0.673 20 0 BCADLO O=C1NCCN1[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000572743263 388372565 /nfs/dbraw/zinc/37/25/65/388372565.db2.gz OYMJJDCPYARDKZ-JTQLQIEISA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000572743263 388372567 /nfs/dbraw/zinc/37/25/67/388372567.db2.gz OYMJJDCPYARDKZ-JTQLQIEISA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000572743263 388372569 /nfs/dbraw/zinc/37/25/69/388372569.db2.gz OYMJJDCPYARDKZ-JTQLQIEISA-N 1 2 249.318 0.399 20 0 BCADLO C[C@H](CCO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573006646 388405849 /nfs/dbraw/zinc/40/58/49/388405849.db2.gz IIWLQLROXKFDNI-GHMZBOCLSA-N 1 2 239.319 0.969 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000572873820 388383442 /nfs/dbraw/zinc/38/34/42/388383442.db2.gz HZSQIKCKEAMZSK-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000572873820 388383449 /nfs/dbraw/zinc/38/34/49/388383449.db2.gz HZSQIKCKEAMZSK-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000572897681 388385310 /nfs/dbraw/zinc/38/53/10/388385310.db2.gz RZMTVBPJNNMLIA-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCn2nncc2C1 ZINC000572897681 388385312 /nfs/dbraw/zinc/38/53/12/388385312.db2.gz RZMTVBPJNNMLIA-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000236888111 388385945 /nfs/dbraw/zinc/38/59/45/388385945.db2.gz YQEAXHSDODNJCT-BDAKNGLRSA-N 1 2 224.308 0.803 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000236926474 388386655 /nfs/dbraw/zinc/38/66/55/388386655.db2.gz KGZWUNIZIKWBEX-AEJSXWLSSA-N 1 2 230.308 0.034 20 0 BCADLO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC1 ZINC000236915954 388386787 /nfs/dbraw/zinc/38/67/87/388386787.db2.gz JNIYPVBBSNFXTP-KCJUWKMLSA-N 1 2 241.335 0.002 20 0 BCADLO OCC[NH+](CCO)Cc1cn2ccsc2n1 ZINC000097989406 256663576 /nfs/dbraw/zinc/66/35/76/256663576.db2.gz MHGCNLHZNBTHDR-UHFFFAOYSA-N 1 2 241.316 0.182 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCSCC1 ZINC000516611461 388392192 /nfs/dbraw/zinc/39/21/92/388392192.db2.gz BXUUAHSXOAGYQS-UHFFFAOYSA-N 1 2 225.317 0.849 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000165374684 388400358 /nfs/dbraw/zinc/40/03/58/388400358.db2.gz OHKLLIYIEBQONS-SECBINFHSA-N 1 2 237.303 0.654 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000165374684 388400360 /nfs/dbraw/zinc/40/03/60/388400360.db2.gz OHKLLIYIEBQONS-SECBINFHSA-N 1 2 237.303 0.654 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCCO ZINC000492258962 388339710 /nfs/dbraw/zinc/33/97/10/388339710.db2.gz ISHMVOZMNLEKPA-ARJAWSKDSA-N 1 2 209.249 0.025 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646735182 388444320 /nfs/dbraw/zinc/44/43/20/388444320.db2.gz UBBNUQRRPCTBQL-WDEREUQCSA-N 1 2 235.287 0.352 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528369293 388451454 /nfs/dbraw/zinc/45/14/54/388451454.db2.gz YJHNEPBFZUKALX-LPJHWYKZSA-N 1 2 218.684 0.315 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528369293 388451456 /nfs/dbraw/zinc/45/14/56/388451456.db2.gz YJHNEPBFZUKALX-LPJHWYKZSA-N 1 2 218.684 0.315 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646744131 388452243 /nfs/dbraw/zinc/45/22/43/388452243.db2.gz CQMRCYXUINNETI-VHSXEESVSA-N 1 2 221.260 0.260 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526028472 388455560 /nfs/dbraw/zinc/45/55/60/388455560.db2.gz IQQKOEFXLZCSMB-JZYVYDRUSA-N 1 2 221.260 0.034 20 0 BCADLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)O)cn21 ZINC000649207283 388458667 /nfs/dbraw/zinc/45/86/67/388458667.db2.gz YVBBZCDMZLIMGS-JTQLQIEISA-N 1 2 247.298 0.682 20 0 BCADLO Cc1cnc(NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC000174688424 388410694 /nfs/dbraw/zinc/41/06/94/388410694.db2.gz SNCCLGWNYIQZRN-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1cnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000174688424 388410697 /nfs/dbraw/zinc/41/06/97/388410697.db2.gz SNCCLGWNYIQZRN-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000648835543 388428809 /nfs/dbraw/zinc/42/88/09/388428809.db2.gz WOWAVIBDQCVYHQ-MRVPVSSYSA-N 1 2 235.287 0.562 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000648835543 388428811 /nfs/dbraw/zinc/42/88/11/388428811.db2.gz WOWAVIBDQCVYHQ-MRVPVSSYSA-N 1 2 235.287 0.562 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000336887706 388429573 /nfs/dbraw/zinc/42/95/73/388429573.db2.gz DKKXSNOOCBVANR-SFYZADRCSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000245838604 388431560 /nfs/dbraw/zinc/43/15/60/388431560.db2.gz FJZNUAGEQJCFBI-APPZFPTMSA-N 1 2 238.291 0.464 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000245838604 388431562 /nfs/dbraw/zinc/43/15/62/388431562.db2.gz FJZNUAGEQJCFBI-APPZFPTMSA-N 1 2 238.291 0.464 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCO[C@@H]2C[C@@H]21 ZINC000646725562 388434514 /nfs/dbraw/zinc/43/45/14/388434514.db2.gz SLXNLYLJFIKDCP-WDEREUQCSA-N 1 2 235.287 0.663 20 0 BCADLO CCC[C@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OCC ZINC000322515236 388437365 /nfs/dbraw/zinc/43/73/65/388437365.db2.gz BHHFIYJFPVFXTL-ZJUUUORDSA-N 1 2 244.335 0.832 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H]2C[C@@H]21 ZINC000646729007 388437618 /nfs/dbraw/zinc/43/76/18/388437618.db2.gz WLIXVOKLTVNTBS-VHSXEESVSA-N 1 2 221.260 0.342 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H]2C[C@@H]21 ZINC000646729007 388437619 /nfs/dbraw/zinc/43/76/19/388437619.db2.gz WLIXVOKLTVNTBS-VHSXEESVSA-N 1 2 221.260 0.342 20 0 BCADLO C[C@@H](CNC(=O)N[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000246083748 388438348 /nfs/dbraw/zinc/43/83/48/388438348.db2.gz GAEGFFIQLWMJHY-VWYCJHECSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@H](C)OCC(=O)NCCc1c[nH+]cn1C ZINC000548460209 388540852 /nfs/dbraw/zinc/54/08/52/388540852.db2.gz MLMHQTGRGAKKHJ-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO C/C(Cl)=C\C[NH+]1CC(N2CCNC2=O)C1 ZINC000528520207 388540901 /nfs/dbraw/zinc/54/09/01/388540901.db2.gz NUTNPXWYAHMHNM-KRXBUXKQSA-N 1 2 229.711 0.838 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncccc2Cl)C[C@H]1O ZINC000528521940 388542432 /nfs/dbraw/zinc/54/24/32/388542432.db2.gz UGRXNMYJESESKT-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncccc2Cl)C[C@H]1O ZINC000528521940 388542436 /nfs/dbraw/zinc/54/24/36/388542436.db2.gz UGRXNMYJESESKT-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO COCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000548523717 388546707 /nfs/dbraw/zinc/54/67/07/388546707.db2.gz ONRDNBOQZCJLON-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cccnc1 ZINC000548583289 388547006 /nfs/dbraw/zinc/54/70/06/388547006.db2.gz KUJYLOIYSNFOFL-UHFFFAOYSA-N 1 2 216.244 0.996 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC000374075023 388483291 /nfs/dbraw/zinc/48/32/91/388483291.db2.gz PKAYXLVZYZZQDY-LDYMZIIASA-N 1 2 239.319 0.781 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC000374075023 388483292 /nfs/dbraw/zinc/48/32/92/388483292.db2.gz PKAYXLVZYZZQDY-LDYMZIIASA-N 1 2 239.319 0.781 20 0 BCADLO COc1cccc(C[NH2+]Cc2cnnn2C)n1 ZINC000342260084 388497845 /nfs/dbraw/zinc/49/78/45/388497845.db2.gz GZORWZAGALLCHR-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO O[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)CC12CC2 ZINC000547970340 388499459 /nfs/dbraw/zinc/49/94/59/388499459.db2.gz DQJXJHPBHAVHLG-VIFPVBQESA-N 1 2 235.287 0.904 20 0 BCADLO O[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CC12CC2 ZINC000547970340 388499461 /nfs/dbraw/zinc/49/94/61/388499461.db2.gz DQJXJHPBHAVHLG-VIFPVBQESA-N 1 2 235.287 0.904 20 0 BCADLO CC[C@]1(C)C[N@H+](Cc2nc(=O)[nH][nH]2)CCO1 ZINC000135613830 388503213 /nfs/dbraw/zinc/50/32/13/388503213.db2.gz NXDVOQRRYFRVIP-SNVBAGLBSA-N 1 2 226.280 0.099 20 0 BCADLO CC[C@]1(C)C[N@@H+](Cc2nc(=O)[nH][nH]2)CCO1 ZINC000135613830 388503216 /nfs/dbraw/zinc/50/32/16/388503216.db2.gz NXDVOQRRYFRVIP-SNVBAGLBSA-N 1 2 226.280 0.099 20 0 BCADLO CN(C(=O)[C@H]([NH3+])c1cscn1)C1CC(O)C1 ZINC000516768489 256801405 /nfs/dbraw/zinc/80/14/05/256801405.db2.gz VSOLFRNTHVSLBK-QXUHLLMWSA-N 1 2 241.316 0.125 20 0 BCADLO CC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000135825617 388509216 /nfs/dbraw/zinc/50/92/16/388509216.db2.gz VKDPPFZGFUZXNX-UHFFFAOYSA-N 1 2 210.281 0.981 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cc(O)cc(=O)[nH]1 ZINC000646798864 388509515 /nfs/dbraw/zinc/50/95/15/388509515.db2.gz UINIHDGKORGOOD-UHFFFAOYSA-N 1 2 248.242 0.156 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnnn1C1CC1 ZINC000548098117 388512628 /nfs/dbraw/zinc/51/26/28/388512628.db2.gz NBTQHKOTHAJFOP-OCAPTIKFSA-N 1 2 207.281 0.991 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnnn1C1CC1 ZINC000548098117 388512632 /nfs/dbraw/zinc/51/26/32/388512632.db2.gz NBTQHKOTHAJFOP-OCAPTIKFSA-N 1 2 207.281 0.991 20 0 BCADLO CC(C)c1noc(C[N@H+](CCO)CCCO)n1 ZINC000346371086 388518985 /nfs/dbraw/zinc/51/89/85/388518985.db2.gz GGYJZWSJYDGEMM-UHFFFAOYSA-N 1 2 243.307 0.370 20 0 BCADLO CC(C)c1noc(C[N@@H+](CCO)CCCO)n1 ZINC000346371086 388518988 /nfs/dbraw/zinc/51/89/88/388518988.db2.gz GGYJZWSJYDGEMM-UHFFFAOYSA-N 1 2 243.307 0.370 20 0 BCADLO CC(C)n1ccc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000516864978 388520624 /nfs/dbraw/zinc/52/06/24/388520624.db2.gz LBSLIEYXDRIJBK-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000347317750 388522141 /nfs/dbraw/zinc/52/21/41/388522141.db2.gz UTIZAOMLVQONMK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000347317750 388522144 /nfs/dbraw/zinc/52/21/44/388522144.db2.gz UTIZAOMLVQONMK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000528441071 388526203 /nfs/dbraw/zinc/52/62/03/388526203.db2.gz JPPTULBRSBFZMH-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000528441071 388526206 /nfs/dbraw/zinc/52/62/06/388526206.db2.gz JPPTULBRSBFZMH-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548298496 388527376 /nfs/dbraw/zinc/52/73/76/388527376.db2.gz GIVONIAPKLAZIV-QMMMGPOBSA-N 1 2 223.276 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548298496 388527378 /nfs/dbraw/zinc/52/73/78/388527378.db2.gz GIVONIAPKLAZIV-QMMMGPOBSA-N 1 2 223.276 0.589 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548311147 388528200 /nfs/dbraw/zinc/52/82/00/388528200.db2.gz KMIBGXHITHSRQK-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO C[N@H+](CCCCO)Cc1nnnn1C1CC1 ZINC000349936309 388529039 /nfs/dbraw/zinc/52/90/39/388529039.db2.gz PUEKVIFHEKKABV-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO C[N@@H+](CCCCO)Cc1nnnn1C1CC1 ZINC000349936309 388529043 /nfs/dbraw/zinc/52/90/43/388529043.db2.gz PUEKVIFHEKKABV-UHFFFAOYSA-N 1 2 225.296 0.212 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000528497413 388535020 /nfs/dbraw/zinc/53/50/20/388535020.db2.gz LPFNASWCLRFGHG-UCCYPCLHSA-N 1 2 242.710 0.841 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000528497413 388535023 /nfs/dbraw/zinc/53/50/23/388535023.db2.gz LPFNASWCLRFGHG-UCCYPCLHSA-N 1 2 242.710 0.841 20 0 BCADLO C[N@H+](CCCO)Cc1coc(S(C)(=O)=O)c1 ZINC000528494872 388535349 /nfs/dbraw/zinc/53/53/49/388535349.db2.gz RWBPTQFFYNCTTD-UHFFFAOYSA-N 1 2 247.316 0.497 20 0 BCADLO C[N@@H+](CCCO)Cc1coc(S(C)(=O)=O)c1 ZINC000528494872 388535351 /nfs/dbraw/zinc/53/53/51/388535351.db2.gz RWBPTQFFYNCTTD-UHFFFAOYSA-N 1 2 247.316 0.497 20 0 BCADLO CC[C@H](O)CCCNC(=O)CCn1cc[nH+]c1 ZINC000352384045 388535698 /nfs/dbraw/zinc/53/56/98/388535698.db2.gz WINQXVFUXGRXKV-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cn1cc[nH+]c1 ZINC000549708829 388588426 /nfs/dbraw/zinc/58/84/26/388588426.db2.gz CUJUKQIWCLYCEU-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC12CC(C1)CO2 ZINC000529871511 388595230 /nfs/dbraw/zinc/59/52/30/388595230.db2.gz BBAWRFWTXQMULG-UHFFFAOYSA-N 1 2 235.287 0.638 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635282 388553594 /nfs/dbraw/zinc/55/35/94/388553594.db2.gz PHCYKXUFLPUMHF-NGZCFLSTSA-N 1 2 235.287 0.063 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635282 388553597 /nfs/dbraw/zinc/55/35/97/388553597.db2.gz PHCYKXUFLPUMHF-NGZCFLSTSA-N 1 2 235.287 0.063 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCNC(=O)C(C)C)C1CC1 ZINC000358823248 388556001 /nfs/dbraw/zinc/55/60/01/388556001.db2.gz VTAVCGSLHVZCRM-JTQLQIEISA-N 1 2 242.319 0.300 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)n1 ZINC000361065388 388559431 /nfs/dbraw/zinc/55/94/31/388559431.db2.gz JMTVBKWCGCMZQT-VIFPVBQESA-N 1 2 245.273 0.870 20 0 BCADLO Cn1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)n1 ZINC000361065388 388559432 /nfs/dbraw/zinc/55/94/32/388559432.db2.gz JMTVBKWCGCMZQT-VIFPVBQESA-N 1 2 245.273 0.870 20 0 BCADLO Cn1nnc(CNCc2cn3ccccc3[nH+]2)n1 ZINC000362954024 388561485 /nfs/dbraw/zinc/56/14/85/388561485.db2.gz FTBURAFINZKMDT-UHFFFAOYSA-N 1 2 243.274 0.148 20 0 BCADLO CCOC[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000528724928 388562476 /nfs/dbraw/zinc/56/24/76/388562476.db2.gz ZNZDWTIXRILYRN-LLVKDONJSA-N 1 2 240.307 0.015 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000528724928 388562477 /nfs/dbraw/zinc/56/24/77/388562477.db2.gz ZNZDWTIXRILYRN-LLVKDONJSA-N 1 2 240.307 0.015 20 0 BCADLO CCOC[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000528732129 388564012 /nfs/dbraw/zinc/56/40/12/388564012.db2.gz NZOMBKOOMFVMNX-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000528732129 388564014 /nfs/dbraw/zinc/56/40/14/388564014.db2.gz NZOMBKOOMFVMNX-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO CCOC[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000528732129 388564015 /nfs/dbraw/zinc/56/40/15/388564015.db2.gz NZOMBKOOMFVMNX-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO CCOC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000528732129 388564017 /nfs/dbraw/zinc/56/40/17/388564017.db2.gz NZOMBKOOMFVMNX-LLVKDONJSA-N 1 2 240.307 0.085 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cnccn1 ZINC000080965012 388564331 /nfs/dbraw/zinc/56/43/31/388564331.db2.gz STQUJBCQOOSRGW-JTQLQIEISA-N 1 2 236.319 0.823 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080965012 388564332 /nfs/dbraw/zinc/56/43/32/388564332.db2.gz STQUJBCQOOSRGW-JTQLQIEISA-N 1 2 236.319 0.823 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000521230867 388565623 /nfs/dbraw/zinc/56/56/23/388565623.db2.gz UZGGBZGPZPBUSX-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000521230867 388565625 /nfs/dbraw/zinc/56/56/25/388565625.db2.gz UZGGBZGPZPBUSX-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000528758465 388567996 /nfs/dbraw/zinc/56/79/96/388567996.db2.gz IZPMWSVNHKTJEJ-OORONAJNSA-N 1 2 210.281 0.706 20 0 BCADLO CSCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368491161 388568873 /nfs/dbraw/zinc/56/88/73/388568873.db2.gz SMBNEFXBRYPGQZ-SSDOTTSWSA-N 1 2 238.303 0.805 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000081444808 388576928 /nfs/dbraw/zinc/57/69/28/388576928.db2.gz RGWSIYBHLAXRMT-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000081444808 388576930 /nfs/dbraw/zinc/57/69/30/388576930.db2.gz RGWSIYBHLAXRMT-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549415498 388580481 /nfs/dbraw/zinc/58/04/81/388580481.db2.gz PBMDWVVWVLMUTL-LURJTMIESA-N 1 2 209.192 0.473 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549415498 388580483 /nfs/dbraw/zinc/58/04/83/388580483.db2.gz PBMDWVVWVLMUTL-LURJTMIESA-N 1 2 209.192 0.473 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000245472594 388582695 /nfs/dbraw/zinc/58/26/95/388582695.db2.gz PDHIPWNSDMRXNT-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000245472594 388582699 /nfs/dbraw/zinc/58/26/99/388582699.db2.gz PDHIPWNSDMRXNT-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO CCn1cc[nH+]c1CNCc1ccn(C)n1 ZINC000124708023 388665708 /nfs/dbraw/zinc/66/57/08/388665708.db2.gz ITKIQCNFATWWJV-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247557354 388666594 /nfs/dbraw/zinc/66/65/94/388666594.db2.gz RDJAXEWXUIUTLV-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247557354 388666597 /nfs/dbraw/zinc/66/65/97/388666597.db2.gz RDJAXEWXUIUTLV-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCOC1 ZINC000125815875 388678590 /nfs/dbraw/zinc/67/85/90/388678590.db2.gz NLLYXIMXLNKZIN-VIFPVBQESA-N 1 2 223.276 0.415 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248444219 388679822 /nfs/dbraw/zinc/67/98/22/388679822.db2.gz BKBDLNRUMXLDMW-MGPLVRAMSA-N 1 2 248.392 0.554 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248444219 388679823 /nfs/dbraw/zinc/67/98/23/388679823.db2.gz BKBDLNRUMXLDMW-MGPLVRAMSA-N 1 2 248.392 0.554 20 0 BCADLO Cc1nnsc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000521631088 388620663 /nfs/dbraw/zinc/62/06/63/388620663.db2.gz FXDQSUYERITGHK-UHFFFAOYSA-N 1 2 228.321 0.542 20 0 BCADLO Cc1nnsc1C[N@H+](C)C(C)(C)C(N)=O ZINC000521631088 388620667 /nfs/dbraw/zinc/62/06/67/388620667.db2.gz FXDQSUYERITGHK-UHFFFAOYSA-N 1 2 228.321 0.542 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1nncs1 ZINC000530185283 388624125 /nfs/dbraw/zinc/62/41/25/388624125.db2.gz WJCQGPRXJUSTRP-SSDOTTSWSA-N 1 2 237.288 0.553 20 0 BCADLO CC[C@@H](C)N(CCO)c1[nH+]cnc2c1cnn2C ZINC000288462618 388627163 /nfs/dbraw/zinc/62/71/63/388627163.db2.gz KCARUJNCDQKCTO-SECBINFHSA-N 1 2 249.318 0.961 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOCC(F)F ZINC000189365979 388632003 /nfs/dbraw/zinc/63/20/03/388632003.db2.gz KYCGXVLXBSKZEM-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC(F)F ZINC000189365979 388632006 /nfs/dbraw/zinc/63/20/06/388632006.db2.gz KYCGXVLXBSKZEM-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO O=C1N[C@@H](c2c[nH]c[nH+]2)N2CCCC[C@H]12 ZINC000078757079 388684657 /nfs/dbraw/zinc/68/46/57/388684657.db2.gz XWCHBBDVTDEKKC-RKDXNWHRSA-N 1 2 206.249 0.393 20 0 BCADLO COC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000083419339 388640636 /nfs/dbraw/zinc/64/06/36/388640636.db2.gz YEWJVJWWOKJDQY-UHFFFAOYSA-N 1 2 203.307 0.987 20 0 BCADLO COC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000083419339 388640637 /nfs/dbraw/zinc/64/06/37/388640637.db2.gz YEWJVJWWOKJDQY-UHFFFAOYSA-N 1 2 203.307 0.987 20 0 BCADLO CCOCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189810772 388644140 /nfs/dbraw/zinc/64/41/40/388644140.db2.gz YUVFQALZUCQTIM-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189810772 388644141 /nfs/dbraw/zinc/64/41/41/388644141.db2.gz YUVFQALZUCQTIM-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@@H]1CCCO1)C(=O)OC ZINC000189800512 388644353 /nfs/dbraw/zinc/64/43/53/388644353.db2.gz BSKPMFXPGUBQCI-CMPLNLGQSA-N 1 2 245.319 0.723 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000551938279 388648940 /nfs/dbraw/zinc/64/89/40/388648940.db2.gz NGLBSFOGIHSZGP-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000551938279 388648941 /nfs/dbraw/zinc/64/89/41/388648941.db2.gz NGLBSFOGIHSZGP-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCn2cncn2)n1 ZINC000551974706 388650060 /nfs/dbraw/zinc/65/00/60/388650060.db2.gz IMKWCOKDLUPPEI-MRVPVSSYSA-N 1 2 236.279 0.663 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCn2cncn2)n1 ZINC000551974706 388650062 /nfs/dbraw/zinc/65/00/62/388650062.db2.gz IMKWCOKDLUPPEI-MRVPVSSYSA-N 1 2 236.279 0.663 20 0 BCADLO CN(C)c1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000551983707 388651473 /nfs/dbraw/zinc/65/14/73/388651473.db2.gz HTKNFZDPHZNBPB-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000551983707 388651476 /nfs/dbraw/zinc/65/14/76/388651476.db2.gz HTKNFZDPHZNBPB-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006536 388656803 /nfs/dbraw/zinc/65/68/03/388656803.db2.gz OBBNZKOOIWIJCK-DJLDLDEBSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006536 388656807 /nfs/dbraw/zinc/65/68/07/388656807.db2.gz OBBNZKOOIWIJCK-DJLDLDEBSA-N 1 2 241.291 0.385 20 0 BCADLO CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552702205 388736161 /nfs/dbraw/zinc/73/61/61/388736161.db2.gz UBMQRVLZVPLINH-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO CC[C@@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522257952 388738243 /nfs/dbraw/zinc/73/82/43/388738243.db2.gz GDIZKAMVOITILN-SNVBAGLBSA-N 1 2 223.276 0.691 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000227109564 388740998 /nfs/dbraw/zinc/74/09/98/388740998.db2.gz DRBMXWDZQSXZED-DJLDLDEBSA-N 1 2 201.266 0.705 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267566 388742650 /nfs/dbraw/zinc/74/26/50/388742650.db2.gz INHMFGFBVWUXJR-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267566 388742653 /nfs/dbraw/zinc/74/26/53/388742653.db2.gz INHMFGFBVWUXJR-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)OCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522288225 388746543 /nfs/dbraw/zinc/74/65/43/388746543.db2.gz IEMOAWIQWBWOAB-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522288225 388746545 /nfs/dbraw/zinc/74/65/45/388746545.db2.gz IEMOAWIQWBWOAB-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H](C)O1 ZINC000251667706 388751300 /nfs/dbraw/zinc/75/13/00/388751300.db2.gz IJZSWJHFPRJFRR-DCAQKATOSA-N 1 2 244.335 0.199 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H](C)O1 ZINC000251667706 388751302 /nfs/dbraw/zinc/75/13/02/388751302.db2.gz IJZSWJHFPRJFRR-DCAQKATOSA-N 1 2 244.335 0.199 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC000126160443 388689400 /nfs/dbraw/zinc/68/94/00/388689400.db2.gz FXAAPBJTXFUXEH-FVMDXXJSSA-N 1 2 246.376 0.211 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC000126160443 388689403 /nfs/dbraw/zinc/68/94/03/388689403.db2.gz FXAAPBJTXFUXEH-FVMDXXJSSA-N 1 2 246.376 0.211 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC000126268453 388692186 /nfs/dbraw/zinc/69/21/86/388692186.db2.gz IITLUNFXLWXHTH-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC000126268453 388692188 /nfs/dbraw/zinc/69/21/88/388692188.db2.gz IITLUNFXLWXHTH-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)C(=O)OC ZINC000248798131 388694311 /nfs/dbraw/zinc/69/43/11/388694311.db2.gz ZMHFQEMMBAKAPF-VWYCJHECSA-N 1 2 245.319 0.722 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000248936418 388700111 /nfs/dbraw/zinc/70/01/11/388700111.db2.gz NFWHCRXSJUYFSB-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000248936418 388700112 /nfs/dbraw/zinc/70/01/12/388700112.db2.gz NFWHCRXSJUYFSB-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO COC[C@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000227706625 388755971 /nfs/dbraw/zinc/75/59/71/388755971.db2.gz YHHIOGLMSIRDGS-JTQLQIEISA-N 1 2 213.281 0.469 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)[C@@H](C)O ZINC000249030063 388704808 /nfs/dbraw/zinc/70/48/08/388704808.db2.gz LNGUIGRBUPCTKZ-ZYUZMQFOSA-N 1 2 215.293 0.687 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000251891445 388756361 /nfs/dbraw/zinc/75/63/61/388756361.db2.gz QIFBESDHADSITA-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000251891445 388756365 /nfs/dbraw/zinc/75/63/65/388756365.db2.gz QIFBESDHADSITA-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO O=C(CC1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000522203273 388720249 /nfs/dbraw/zinc/72/02/49/388720249.db2.gz DZDYIFKIVHPEHO-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC000193976367 388720844 /nfs/dbraw/zinc/72/08/44/388720844.db2.gz XAAITTMSASVXAT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC000193976367 388720847 /nfs/dbraw/zinc/72/08/47/388720847.db2.gz XAAITTMSASVXAT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1c[nH]c[nH+]1 ZINC000249481335 388722565 /nfs/dbraw/zinc/72/25/65/388722565.db2.gz VOCKAYBHQVRPLO-QNSHHTMESA-N 1 2 220.276 0.639 20 0 BCADLO COC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000648735271 388756734 /nfs/dbraw/zinc/75/67/34/388756734.db2.gz IIKCUKZMNALWBE-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226592372 388723678 /nfs/dbraw/zinc/72/36/78/388723678.db2.gz XFZKDLPYZFIETR-DJLDLDEBSA-N 1 2 201.266 0.705 20 0 BCADLO COc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)on1 ZINC000552559373 388726272 /nfs/dbraw/zinc/72/62/72/388726272.db2.gz VUPVNKLRGHRQMJ-ZCFIWIBFSA-N 1 2 236.231 0.897 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000067126274 388729704 /nfs/dbraw/zinc/72/97/04/388729704.db2.gz RPPJZQYPPLAXOL-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000067126274 388729706 /nfs/dbraw/zinc/72/97/06/388729706.db2.gz RPPJZQYPPLAXOL-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cncn2C)[C@@H](C(N)=O)C1 ZINC000249596282 388730233 /nfs/dbraw/zinc/73/02/33/388730233.db2.gz WXWWDAQEJOLPGV-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cncn2C)[C@@H](C(N)=O)C1 ZINC000249596282 388730236 /nfs/dbraw/zinc/73/02/36/388730236.db2.gz WXWWDAQEJOLPGV-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000522245656 388733134 /nfs/dbraw/zinc/73/31/34/388733134.db2.gz HAFABZADQSQTLE-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000522245656 388733137 /nfs/dbraw/zinc/73/31/37/388733137.db2.gz HAFABZADQSQTLE-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCC1=O ZINC000229507811 388791812 /nfs/dbraw/zinc/79/18/12/388791812.db2.gz YETOQLGFXPJZAH-NXEZZACHSA-N 1 2 224.304 0.566 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCC1=O ZINC000229507811 388791814 /nfs/dbraw/zinc/79/18/14/388791814.db2.gz YETOQLGFXPJZAH-NXEZZACHSA-N 1 2 224.304 0.566 20 0 BCADLO Cn1cnc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000554226479 388804643 /nfs/dbraw/zinc/80/46/43/388804643.db2.gz BMUKWSLTSNEXGI-UHFFFAOYSA-N 1 2 220.236 0.040 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)nc1 ZINC000128995081 388809584 /nfs/dbraw/zinc/80/95/84/388809584.db2.gz UQQJEKOEMGETJR-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)nc1 ZINC000128995081 388809585 /nfs/dbraw/zinc/80/95/85/388809585.db2.gz UQQJEKOEMGETJR-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO COC[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000227771726 388758480 /nfs/dbraw/zinc/75/84/80/388758480.db2.gz YXYNVGCORHEKIY-UWVGGRQHSA-N 1 2 231.292 0.189 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)n2C)CC[C@H]1C ZINC000252038434 388760041 /nfs/dbraw/zinc/76/00/41/388760041.db2.gz YXZMICKYVTUTGI-KOLCDFICSA-N 1 2 238.335 0.980 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)n2C)CC[C@H]1C ZINC000252038434 388760042 /nfs/dbraw/zinc/76/00/42/388760042.db2.gz YXZMICKYVTUTGI-KOLCDFICSA-N 1 2 238.335 0.980 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)n2C)CC[C@@H]1C ZINC000252038435 388760749 /nfs/dbraw/zinc/76/07/49/388760749.db2.gz YXZMICKYVTUTGI-ONGXEEELSA-N 1 2 238.335 0.980 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)n2C)CC[C@@H]1C ZINC000252038435 388760750 /nfs/dbraw/zinc/76/07/50/388760750.db2.gz YXZMICKYVTUTGI-ONGXEEELSA-N 1 2 238.335 0.980 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000250123706 388783522 /nfs/dbraw/zinc/78/35/22/388783522.db2.gz VWGHVGUPXJTTMB-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000250123706 388783525 /nfs/dbraw/zinc/78/35/25/388783525.db2.gz VWGHVGUPXJTTMB-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](O)C1(C)C ZINC000555242464 388843258 /nfs/dbraw/zinc/84/32/58/388843258.db2.gz RZPLDLLWBNNETJ-JTQLQIEISA-N 1 2 237.303 0.334 20 0 BCADLO COCCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000554508329 388817066 /nfs/dbraw/zinc/81/70/66/388817066.db2.gz HUMIDBJOKFHJJQ-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO CS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126039809 388817586 /nfs/dbraw/zinc/81/75/86/388817586.db2.gz GKWKDRFSDYBCIZ-MRVPVSSYSA-N 1 2 229.305 0.896 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000253484154 388819240 /nfs/dbraw/zinc/81/92/40/388819240.db2.gz FEGNLEVHZJXOMZ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000253484154 388819243 /nfs/dbraw/zinc/81/92/43/388819243.db2.gz FEGNLEVHZJXOMZ-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000540901932 388823839 /nfs/dbraw/zinc/82/38/39/388823839.db2.gz CBYQHFVSWJCNNQ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000540901932 388823844 /nfs/dbraw/zinc/82/38/44/388823844.db2.gz CBYQHFVSWJCNNQ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO COC(=O)[C@@H](NCc1[nH+]ccn1C)C1CC1 ZINC000231789128 388842449 /nfs/dbraw/zinc/84/24/49/388842449.db2.gz QQENRWSEXFTSLX-JTQLQIEISA-N 1 2 223.276 0.461 20 0 BCADLO COC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000648769189 388856116 /nfs/dbraw/zinc/85/61/16/388856116.db2.gz LKQLZBPFLSUIHP-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO COC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000648769189 388856117 /nfs/dbraw/zinc/85/61/17/388856117.db2.gz LKQLZBPFLSUIHP-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccncc1 ZINC000541588891 388858796 /nfs/dbraw/zinc/85/87/96/388858796.db2.gz ZMSXIEWSEOUFLP-UHFFFAOYSA-N 1 2 230.271 0.788 20 0 BCADLO CC[C@H](CO)N(C)c1nc[nH+]c(N)c1Cl ZINC000293617679 388861464 /nfs/dbraw/zinc/86/14/64/388861464.db2.gz DGVKGOUJLMVXKE-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO CC[C@H](CO)N(C)c1[nH+]cnc(N)c1Cl ZINC000293617679 388861467 /nfs/dbraw/zinc/86/14/67/388861467.db2.gz DGVKGOUJLMVXKE-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)c[nH]c1=O ZINC000555771031 388861862 /nfs/dbraw/zinc/86/18/62/388861862.db2.gz XJWWFNCMHQUJIP-UHFFFAOYSA-N 1 2 232.243 0.931 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CC1(CO)COC1)C(=O)OC ZINC000541660947 388863283 /nfs/dbraw/zinc/86/32/83/388863283.db2.gz CJCQVIOSVYAJJG-UWVGGRQHSA-N 1 2 245.319 0.173 20 0 BCADLO CC(=O)NC1CN(c2cc(C)[nH+]cn2)C1 ZINC000302589844 388847623 /nfs/dbraw/zinc/84/76/23/388847623.db2.gz AWBYRUMROSGXQC-UHFFFAOYSA-N 1 2 206.249 0.110 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)COC(C)C ZINC000070197550 388877860 /nfs/dbraw/zinc/87/78/60/388877860.db2.gz KYKRWEGYNSYXLF-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)COC(C)C ZINC000070197550 388877863 /nfs/dbraw/zinc/87/78/63/388877863.db2.gz KYKRWEGYNSYXLF-LLVKDONJSA-N 1 2 247.335 0.657 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CSC ZINC000564581659 388878318 /nfs/dbraw/zinc/87/83/18/388878318.db2.gz AFFKPDSJMWAGPY-UHFFFAOYSA-N 1 2 213.306 0.882 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCCc1c[nH+]cn1C ZINC000565608053 388959091 /nfs/dbraw/zinc/95/90/91/388959091.db2.gz LFTOBZCCMMAEHN-LBPRGKRZSA-N 1 2 239.319 0.487 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1(C)CC1 ZINC000153350227 388964506 /nfs/dbraw/zinc/96/45/06/388964506.db2.gz UBRPYGPWRCRJRB-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCCCF ZINC000565338825 388938282 /nfs/dbraw/zinc/93/82/82/388938282.db2.gz DQWGTYUDXLXXOG-UHFFFAOYSA-N 1 2 213.256 0.829 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc[nH]n1 ZINC000565389231 388941754 /nfs/dbraw/zinc/94/17/54/388941754.db2.gz BLKAOLVWQGWGIH-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc[nH]n1 ZINC000565389231 388941757 /nfs/dbraw/zinc/94/17/57/388941757.db2.gz BLKAOLVWQGWGIH-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)(O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565426214 388945130 /nfs/dbraw/zinc/94/51/30/388945130.db2.gz KKSDCJGHOLQYLK-UHFFFAOYSA-N 1 2 225.292 0.922 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)Cc1c[nH+]cn1C ZINC000565440514 388945944 /nfs/dbraw/zinc/94/59/44/388945944.db2.gz RWKIILXZNIANLM-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000290189289 388946016 /nfs/dbraw/zinc/94/60/16/388946016.db2.gz RSTMSOWMBUZLGI-YUMQZZPRSA-N 1 2 245.710 0.577 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(C)c[nH+]1 ZINC000565987847 388982669 /nfs/dbraw/zinc/98/26/69/388982669.db2.gz HZILSNRUUJNRKF-IAZYJMLFSA-N 1 2 247.298 0.887 20 0 BCADLO COC(=O)C[N@H+](C)CCn1nc(C)cc1C ZINC000264564171 388992526 /nfs/dbraw/zinc/99/25/26/388992526.db2.gz RAMNMIKHHUXICU-UHFFFAOYSA-N 1 2 225.292 0.605 20 0 BCADLO COC(=O)C[N@@H+](C)CCn1nc(C)cc1C ZINC000264564171 388992528 /nfs/dbraw/zinc/99/25/28/388992528.db2.gz RAMNMIKHHUXICU-UHFFFAOYSA-N 1 2 225.292 0.605 20 0 BCADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC000270508284 389012470 /nfs/dbraw/zinc/01/24/70/389012470.db2.gz WENWPRGBKMNWMV-VHSXEESVSA-N 1 2 207.277 0.992 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000271116549 389017203 /nfs/dbraw/zinc/01/72/03/389017203.db2.gz WESBYCXBRCIMIV-SSDOTTSWSA-N 1 2 227.289 0.533 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000271116549 389017210 /nfs/dbraw/zinc/01/72/10/389017210.db2.gz WESBYCXBRCIMIV-SSDOTTSWSA-N 1 2 227.289 0.533 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000369035242 169667607 /nfs/dbraw/zinc/66/76/07/169667607.db2.gz DMEQBHBXISLBTM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000369035242 169667610 /nfs/dbraw/zinc/66/76/10/169667610.db2.gz DMEQBHBXISLBTM-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)[C@H](CF)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493387343 533264987 /nfs/dbraw/zinc/26/49/87/533264987.db2.gz MISRTUNNGBVGGF-AIYRYJHASA-N 1 2 241.222 0.050 20 0 BCADLO COC(=O)[C@H](CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493330553 533266089 /nfs/dbraw/zinc/26/60/89/533266089.db2.gz YTYFJTMBFZWFLS-KZUAUGPASA-N 1 2 241.222 0.050 20 0 BCADLO COC(=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811836 533385064 /nfs/dbraw/zinc/38/50/64/533385064.db2.gz LPBZBFYHBQGVRO-PLNGDYQASA-N 1 2 237.259 0.492 20 0 BCADLO COC(=O)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493746259 533466897 /nfs/dbraw/zinc/46/68/97/533466897.db2.gz BQMMNBZFCBJUIX-DJWKRKHSSA-N 1 2 249.270 0.587 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493721391 533511114 /nfs/dbraw/zinc/51/11/14/533511114.db2.gz KUWLTKCLJKPJRY-UHCCMILWSA-N 1 2 249.270 0.491 20 0 BCADLO C[C@@H](CCCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493373635 533561953 /nfs/dbraw/zinc/56/19/53/533561953.db2.gz VFVSFOOSHZYNKO-MOVJSRMASA-N 1 2 223.276 0.700 20 0 BCADLO O=C1CN(c2cc(NCC3CC3)[nH+]cn2)CCN1 ZINC000265405665 132182424 /nfs/dbraw/zinc/18/24/24/132182424.db2.gz BSOGKJBIRTZKFK-UHFFFAOYSA-N 1 2 247.302 0.235 20 0 BCADLO O=C1CN(c2cc(NCC3CC3)nc[nH+]2)CCN1 ZINC000265405665 132182426 /nfs/dbraw/zinc/18/24/26/132182426.db2.gz BSOGKJBIRTZKFK-UHFFFAOYSA-N 1 2 247.302 0.235 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265975356 132183677 /nfs/dbraw/zinc/18/36/77/132183677.db2.gz XBPWAPKKNKICBV-JTQLQIEISA-N 1 2 249.314 0.388 20 0 BCADLO Cc1nc(N2CCC[C@H](OCCO)C2)cc[nH+]1 ZINC000266453621 132187007 /nfs/dbraw/zinc/18/70/07/132187007.db2.gz XQQMOAQXTYNEKB-NSHDSACASA-N 1 2 237.303 0.763 20 0 BCADLO Cc1nc2n(n1)CCN(c1cc[nH+]c(C)n1)C2 ZINC000267439288 132189835 /nfs/dbraw/zinc/18/98/35/132189835.db2.gz YMQCKGFNMZJRKQ-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO Cc1cc(N2CCO[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000267400871 132189879 /nfs/dbraw/zinc/18/98/79/132189879.db2.gz PLOSJPZAPZYFMG-NSHDSACASA-N 1 2 249.314 0.860 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCC1=O ZINC000276387639 132206397 /nfs/dbraw/zinc/20/63/97/132206397.db2.gz DPDRHAOGBWWFLY-QMMMGPOBSA-N 1 2 245.286 0.779 20 0 BCADLO O=C1CO[C@H]2CCN(c3cccc[nH+]3)C[C@@H]2N1 ZINC000366620417 132212213 /nfs/dbraw/zinc/21/22/13/132212213.db2.gz QRZLMFGXBCPMFN-UWVGGRQHSA-N 1 2 233.271 0.175 20 0 BCADLO Cc1nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc[nH+]1 ZINC000284587732 132213384 /nfs/dbraw/zinc/21/33/84/132213384.db2.gz OPMSPARMRYLYJX-ZJUUUORDSA-N 1 2 247.302 0.387 20 0 BCADLO C[C@H]1C[C@@H](O)CCN1c1[nH+]cnc2c1cnn2C ZINC000292198940 132218776 /nfs/dbraw/zinc/21/87/76/132218776.db2.gz GPKLZKSHWPRCJH-IUCAKERBSA-N 1 2 247.302 0.713 20 0 BCADLO Cc1cc(N2CCO[C@H](C(=O)C3CC3)C2)nc[nH+]1 ZINC000333272158 132244924 /nfs/dbraw/zinc/24/49/24/132244924.db2.gz HKCPRDQYBGPOIJ-NSHDSACASA-N 1 2 247.298 0.969 20 0 BCADLO Cc1cc(N2CCO[C@@H](C(=O)C3CC3)C2)nc[nH+]1 ZINC000333272157 132245166 /nfs/dbraw/zinc/24/51/66/132245166.db2.gz HKCPRDQYBGPOIJ-LLVKDONJSA-N 1 2 247.298 0.969 20 0 BCADLO Cc1cc(N2CCC[C@@H](OCCO)C2)nc[nH+]1 ZINC000301261601 132252106 /nfs/dbraw/zinc/25/21/06/132252106.db2.gz FPSVGSGWNYWRHV-LLVKDONJSA-N 1 2 237.303 0.763 20 0 BCADLO Cc1cc(N2CCC[C@H](CC(N)=O)C2)nc[nH+]1 ZINC000301469553 132254148 /nfs/dbraw/zinc/25/41/48/132254148.db2.gz IBPKAWQTDMDSSX-SNVBAGLBSA-N 1 2 234.303 0.877 20 0 BCADLO OC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000302793134 132266759 /nfs/dbraw/zinc/26/67/59/132266759.db2.gz NBMQFEINMUOBTQ-GHMZBOCLSA-N 1 2 249.314 0.534 20 0 BCADLO Cc1nc(N2CCS(=O)CC2)cc[nH+]1 ZINC000360225988 132278271 /nfs/dbraw/zinc/27/82/71/132278271.db2.gz UIDLIOBTKGUJFI-UHFFFAOYSA-N 1 2 211.290 0.354 20 0 BCADLO CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345029 132284892 /nfs/dbraw/zinc/28/48/92/132284892.db2.gz QXWBOQPPSZSMGT-SNVBAGLBSA-N 1 2 234.303 0.979 20 0 BCADLO Cc1cc(N2CC[C@H](O)[C@H](C)C2)nc[nH+]1 ZINC000127152718 132298885 /nfs/dbraw/zinc/29/88/85/132298885.db2.gz MKXQLNPGHKJIET-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO c1nc(N2CCOCC2)cc(NC2CC2)[nH+]1 ZINC000242718947 132302882 /nfs/dbraw/zinc/30/28/82/132302882.db2.gz DASUIALUODDMLQ-UHFFFAOYSA-N 1 2 220.276 0.888 20 0 BCADLO c1nc(NC2CC2)cc(N2CCOCC2)[nH+]1 ZINC000242718947 132302883 /nfs/dbraw/zinc/30/28/83/132302883.db2.gz DASUIALUODDMLQ-UHFFFAOYSA-N 1 2 220.276 0.888 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC(=O)N1 ZINC000295628942 132308081 /nfs/dbraw/zinc/30/80/81/132308081.db2.gz BAAMCFFPJLESFC-YFKPBYRVSA-N 1 2 241.682 0.037 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H](CO)O1 ZINC000299912939 132308336 /nfs/dbraw/zinc/30/83/36/132308336.db2.gz OPHRBGKPGHVXHO-NXEZZACHSA-N 1 2 208.261 0.668 20 0 BCADLO Cc1cc(N2C[C@@H](C)O[C@H](CO)C2)nc[nH+]1 ZINC000299914268 132361750 /nfs/dbraw/zinc/36/17/50/132361750.db2.gz QCCRLVFVROKTHH-ZJUUUORDSA-N 1 2 223.276 0.371 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(c2ccccc2O)CC1 ZINC000069149427 132390137 /nfs/dbraw/zinc/39/01/37/132390137.db2.gz NSGRZYQUCXQRJD-SNVBAGLBSA-N 1 2 249.314 0.388 20 0 BCADLO Cc1c[nH+]c(CN2CCNC(=O)C2(C)C)n1C ZINC000342804569 133598592 /nfs/dbraw/zinc/59/85/92/133598592.db2.gz BYYMODIOJKJCOB-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO O=C1CNC(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000335930137 134010413 /nfs/dbraw/zinc/01/04/13/134010413.db2.gz IWERQCZZQGYHPV-UHFFFAOYSA-N 1 2 230.227 0.386 20 0 BCADLO CC(C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335934520 134012170 /nfs/dbraw/zinc/01/21/70/134012170.db2.gz UQXOPTZKGGWMAP-MNOVXSKESA-N 1 2 241.335 0.509 20 0 BCADLO CC(C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335934520 134012171 /nfs/dbraw/zinc/01/21/71/134012171.db2.gz UQXOPTZKGGWMAP-MNOVXSKESA-N 1 2 241.335 0.509 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000335938576 134013548 /nfs/dbraw/zinc/01/35/48/134013548.db2.gz UKMSXRRKQSWUOF-ZETCQYMHSA-N 1 2 214.244 0.547 20 0 BCADLO C[C@H](F)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000335938576 134013549 /nfs/dbraw/zinc/01/35/49/134013549.db2.gz UKMSXRRKQSWUOF-ZETCQYMHSA-N 1 2 214.244 0.547 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cnc[nH]2)CC[N@H+]1C ZINC000335946722 134020471 /nfs/dbraw/zinc/02/04/71/134020471.db2.gz HRGGKEGDECHCDG-BDAKNGLRSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cnc[nH]2)CC[N@@H+]1C ZINC000335946722 134020472 /nfs/dbraw/zinc/02/04/72/134020472.db2.gz HRGGKEGDECHCDG-BDAKNGLRSA-N 1 2 222.292 0.574 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335958955 134023972 /nfs/dbraw/zinc/02/39/72/134023972.db2.gz IKCWBYDRUDPRMM-MWLCHTKSSA-N 1 2 230.283 0.061 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCC[C@](F)(CO)C1 ZINC000335958955 134023973 /nfs/dbraw/zinc/02/39/73/134023973.db2.gz IKCWBYDRUDPRMM-MWLCHTKSSA-N 1 2 230.283 0.061 20 0 BCADLO C[C@@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000335964267 134027893 /nfs/dbraw/zinc/02/78/93/134027893.db2.gz WECUUYRMEPANGC-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000352050591 134046548 /nfs/dbraw/zinc/04/65/48/134046548.db2.gz SDJFXUUNVRLOGX-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000352050591 134046549 /nfs/dbraw/zinc/04/65/49/134046549.db2.gz SDJFXUUNVRLOGX-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO O=C(N1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000336001991 134047524 /nfs/dbraw/zinc/04/75/24/134047524.db2.gz DEPQVQRWCCIHQF-UHFFFAOYSA-N 1 2 235.287 0.530 20 0 BCADLO CN(C)c1noc(COCc2[nH]cc[nH+]2)n1 ZINC000352063843 134054365 /nfs/dbraw/zinc/05/43/65/134054365.db2.gz ZYLZNZKURWJKFR-UHFFFAOYSA-N 1 2 223.236 0.576 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022255 134056189 /nfs/dbraw/zinc/05/61/89/134056189.db2.gz KUVWLBGXPIPBGQ-JGVFFNPUSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022255 134056190 /nfs/dbraw/zinc/05/61/90/134056190.db2.gz KUVWLBGXPIPBGQ-JGVFFNPUSA-N 1 2 240.282 0.924 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000336039797 134061080 /nfs/dbraw/zinc/06/10/80/134061080.db2.gz DTBXXFWWUNCKGB-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO CC(=O)NC1C[NH+](Cc2c(C)noc2C)C1 ZINC000336084529 134076263 /nfs/dbraw/zinc/07/62/63/134076263.db2.gz LKYXVUUWONDJLA-UHFFFAOYSA-N 1 2 223.276 0.612 20 0 BCADLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)N1CCC1 ZINC000336088883 134077591 /nfs/dbraw/zinc/07/75/91/134077591.db2.gz OHYYFLUUXGIBKF-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO O=C(C[N@H+]1CCOC2(CCCC2)C1)N1CCC1 ZINC000336088883 134077592 /nfs/dbraw/zinc/07/75/92/134077592.db2.gz OHYYFLUUXGIBKF-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO O=C([C@H]1CCC[C@@H](O)C1)N1CCn2c[nH+]cc2C1 ZINC000336104379 134084646 /nfs/dbraw/zinc/08/46/46/134084646.db2.gz BVMUBSBKGLZVGN-CMPLNLGQSA-N 1 2 249.314 0.776 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336118109 134089267 /nfs/dbraw/zinc/08/92/67/134089267.db2.gz HFRJFZRBGBDHLD-BDAKNGLRSA-N 1 2 237.303 0.669 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000352196401 134098841 /nfs/dbraw/zinc/09/88/41/134098841.db2.gz YUFGNDKIABMWCO-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352196401 134098842 /nfs/dbraw/zinc/09/88/42/134098842.db2.gz YUFGNDKIABMWCO-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C)C(C)(C)C1 ZINC000336167926 134113949 /nfs/dbraw/zinc/11/39/49/134113949.db2.gz ZJFQAVPXHNELGS-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C)C(C)(C)C1 ZINC000336167926 134113950 /nfs/dbraw/zinc/11/39/50/134113950.db2.gz ZJFQAVPXHNELGS-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C2CC2)O1 ZINC000336191076 134123465 /nfs/dbraw/zinc/12/34/65/134123465.db2.gz KIHWEWAEJGFFGP-GXSJLCMTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C2CC2)O1 ZINC000336191076 134123466 /nfs/dbraw/zinc/12/34/66/134123466.db2.gz KIHWEWAEJGFFGP-GXSJLCMTSA-N 1 2 226.320 0.574 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000336201515 134130836 /nfs/dbraw/zinc/13/08/36/134130836.db2.gz SYSIQJDPMOCAMI-SNVBAGLBSA-N 1 2 201.241 0.886 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000336201515 134130837 /nfs/dbraw/zinc/13/08/37/134130837.db2.gz SYSIQJDPMOCAMI-SNVBAGLBSA-N 1 2 201.241 0.886 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC(O)(C2CC2)C1 ZINC000336212989 134134982 /nfs/dbraw/zinc/13/49/82/134134982.db2.gz VBYGUZDEPWXGMR-UHFFFAOYSA-N 1 2 247.298 0.801 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC1(C(=O)OC)CC1)C1CC1 ZINC000362721999 134214122 /nfs/dbraw/zinc/21/41/22/134214122.db2.gz DNRZZEIJBUPDAI-VIFPVBQESA-N 1 2 241.287 0.481 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000218148919 134251606 /nfs/dbraw/zinc/25/16/06/134251606.db2.gz XIKRSFLGFSGIHS-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000218148919 134251607 /nfs/dbraw/zinc/25/16/07/134251607.db2.gz XIKRSFLGFSGIHS-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249833 134252269 /nfs/dbraw/zinc/25/22/69/134252269.db2.gz WQINAIUFJNPLGL-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCN1CCOCC1 ZINC000171858862 134261450 /nfs/dbraw/zinc/26/14/50/134261450.db2.gz WYOKYHSQSQRVCL-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCC[N@H+](CC(F)F)C[C@H](O)COC ZINC000171972688 134263685 /nfs/dbraw/zinc/26/36/85/134263685.db2.gz XEAUSMPZXNCSCT-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO CCC[N@@H+](CC(F)F)C[C@H](O)COC ZINC000171972688 134263686 /nfs/dbraw/zinc/26/36/86/134263686.db2.gz XEAUSMPZXNCSCT-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@H](COC)C1 ZINC000172883142 134270483 /nfs/dbraw/zinc/27/04/83/134270483.db2.gz VVKJAJBKVWIVEN-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO O=C(CC1(O)CCCC1)NCCc1[nH]cc[nH+]1 ZINC000174763045 134283269 /nfs/dbraw/zinc/28/32/69/134283269.db2.gz FAFHVBKTIDNWIS-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174754447 134283372 /nfs/dbraw/zinc/28/33/72/134283372.db2.gz QZBHBCQJHLYBOH-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000177084706 134297227 /nfs/dbraw/zinc/29/72/27/134297227.db2.gz OGXVEASERDESAB-KOLCDFICSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000177084706 134297228 /nfs/dbraw/zinc/29/72/28/134297228.db2.gz OGXVEASERDESAB-KOLCDFICSA-N 1 2 235.287 0.329 20 0 BCADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCO ZINC000177721629 134301808 /nfs/dbraw/zinc/30/18/08/134301808.db2.gz RKGNYKQLXDHQHM-MRVPVSSYSA-N 1 2 241.316 0.538 20 0 BCADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCO ZINC000177721629 134301809 /nfs/dbraw/zinc/30/18/09/134301809.db2.gz RKGNYKQLXDHQHM-MRVPVSSYSA-N 1 2 241.316 0.538 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178723599 134310335 /nfs/dbraw/zinc/31/03/35/134310335.db2.gz NCWZTQNERPVKQP-CMPLNLGQSA-N 1 2 237.347 0.149 20 0 BCADLO O=C(C=C1CCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178732278 134311117 /nfs/dbraw/zinc/31/11/17/134311117.db2.gz PBGVRPUOLGUANH-LBPRGKRZSA-N 1 2 235.331 0.213 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178635429 134312390 /nfs/dbraw/zinc/31/23/90/134312390.db2.gz DDTQVYPSGZEDQU-VXGBXAGGSA-N 1 2 239.363 0.539 20 0 BCADLO CCc1nn(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000220996942 134315177 /nfs/dbraw/zinc/31/51/77/134315177.db2.gz GIMSLNYXLYLDNQ-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CCc1nn(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000220996942 134315178 /nfs/dbraw/zinc/31/51/78/134315178.db2.gz GIMSLNYXLYLDNQ-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000179307422 134319256 /nfs/dbraw/zinc/31/92/56/134319256.db2.gz OBGQPVYAPBHSQY-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000179307422 134319257 /nfs/dbraw/zinc/31/92/57/134319257.db2.gz OBGQPVYAPBHSQY-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000179307422 134319258 /nfs/dbraw/zinc/31/92/58/134319258.db2.gz OBGQPVYAPBHSQY-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000179307422 134319259 /nfs/dbraw/zinc/31/92/59/134319259.db2.gz OBGQPVYAPBHSQY-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000221201500 134322681 /nfs/dbraw/zinc/32/26/81/134322681.db2.gz GQSHIMHEMYPNQX-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cc[nH]c1 ZINC000179644269 134322884 /nfs/dbraw/zinc/32/28/84/134322884.db2.gz AWPUMULGGYJRSM-WDEREUQCSA-N 1 2 238.287 0.777 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc[nH]c1 ZINC000179644269 134322885 /nfs/dbraw/zinc/32/28/85/134322885.db2.gz AWPUMULGGYJRSM-WDEREUQCSA-N 1 2 238.287 0.777 20 0 BCADLO C[C@H](CS(C)(=O)=O)N(C)Cc1c[nH+]c[nH]1 ZINC000179647874 134322918 /nfs/dbraw/zinc/32/29/18/134322918.db2.gz JKSOFPKOKTWDBE-MRVPVSSYSA-N 1 2 231.321 0.275 20 0 BCADLO C[C@H](CS(C)(=O)=O)N(C)Cc1c[nH]c[nH+]1 ZINC000179647874 134322919 /nfs/dbraw/zinc/32/29/19/134322919.db2.gz JKSOFPKOKTWDBE-MRVPVSSYSA-N 1 2 231.321 0.275 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405160 134327035 /nfs/dbraw/zinc/32/70/35/134327035.db2.gz TXYBVKATUDGZKF-SECBINFHSA-N 1 2 236.319 0.886 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405160 134327036 /nfs/dbraw/zinc/32/70/36/134327036.db2.gz TXYBVKATUDGZKF-SECBINFHSA-N 1 2 236.319 0.886 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000221972779 134327361 /nfs/dbraw/zinc/32/73/61/134327361.db2.gz HWMMQSYLXGVOQF-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000221972779 134327362 /nfs/dbraw/zinc/32/73/62/134327362.db2.gz HWMMQSYLXGVOQF-JTQLQIEISA-N 1 2 236.319 0.571 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183698470 134353207 /nfs/dbraw/zinc/35/32/07/134353207.db2.gz IWQVJVLCDROIBW-AXFHLTTASA-N 1 2 247.335 0.561 20 0 BCADLO COC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000225754834 134357404 /nfs/dbraw/zinc/35/74/04/134357404.db2.gz HMCLSKKZQUJBJV-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C1CC1 ZINC000227307962 134377710 /nfs/dbraw/zinc/37/77/10/134377710.db2.gz APCOJDLKXOUKRZ-APPZFPTMSA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](C)OC)C1CC1 ZINC000227307975 134377810 /nfs/dbraw/zinc/37/78/10/134377810.db2.gz APCOJDLKXOUKRZ-CBAPKCEASA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)Cn1cccn1)C1CC1 ZINC000227770013 134393961 /nfs/dbraw/zinc/39/39/61/134393961.db2.gz IITUMGFEZZTXJU-GXSJLCMTSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H](C)[S@@]1=O ZINC000408124671 134397718 /nfs/dbraw/zinc/39/77/18/134397718.db2.gz RFBRETFJYSNTKX-WRBXQSRGSA-N 1 2 242.348 0.119 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cncn2)C[C@H](C)[S@@]1=O ZINC000408124671 134397720 /nfs/dbraw/zinc/39/77/20/134397720.db2.gz RFBRETFJYSNTKX-WRBXQSRGSA-N 1 2 242.348 0.119 20 0 BCADLO CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000049517595 134634184 /nfs/dbraw/zinc/63/41/84/134634184.db2.gz DASIBXKAVAMCDN-UHFFFAOYSA-N 1 2 231.259 0.696 20 0 BCADLO CCn1ccnc1C[NH+]1CCC(O)CC1 ZINC000052345169 134701643 /nfs/dbraw/zinc/70/16/43/134701643.db2.gz ICINQPNJCFUJQX-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000194829292 134830749 /nfs/dbraw/zinc/83/07/49/134830749.db2.gz CPTQOQMFBQPURW-OPRDCNLKSA-N 1 2 213.277 0.707 20 0 BCADLO CNC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070634638 135000505 /nfs/dbraw/zinc/00/05/05/135000505.db2.gz JFLIRABBZUJAJA-ZETCQYMHSA-N 1 2 213.306 0.848 20 0 BCADLO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCCCC1 ZINC000248014633 135001828 /nfs/dbraw/zinc/00/18/28/135001828.db2.gz QABJBFCYAQOSOZ-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)CC(=O)N1CCCCC1 ZINC000248014633 135001830 /nfs/dbraw/zinc/00/18/30/135001830.db2.gz QABJBFCYAQOSOZ-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248024186 135001999 /nfs/dbraw/zinc/00/19/99/135001999.db2.gz VMWKCRDRNLEBTO-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000248024186 135002001 /nfs/dbraw/zinc/00/20/01/135002001.db2.gz VMWKCRDRNLEBTO-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070651445 135003246 /nfs/dbraw/zinc/00/32/46/135003246.db2.gz CTJWOTVVHWWNIB-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000248554258 135003590 /nfs/dbraw/zinc/00/35/90/135003590.db2.gz AGCISXLBIUBVDQ-NXEZZACHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000248554258 135003591 /nfs/dbraw/zinc/00/35/91/135003591.db2.gz AGCISXLBIUBVDQ-NXEZZACHSA-N 1 2 226.320 0.764 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC1(C)COC1 ZINC000231696265 135024990 /nfs/dbraw/zinc/02/49/90/135024990.db2.gz MDWHAEUONUETEM-UHFFFAOYSA-N 1 2 201.266 0.564 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000249055058 135030627 /nfs/dbraw/zinc/03/06/27/135030627.db2.gz OVOVSDRKLZCXFD-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000249055058 135030630 /nfs/dbraw/zinc/03/06/30/135030630.db2.gz OVOVSDRKLZCXFD-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000250567833 135053820 /nfs/dbraw/zinc/05/38/20/135053820.db2.gz YFLHYLDMIFIHOQ-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000250567833 135053821 /nfs/dbraw/zinc/05/38/21/135053821.db2.gz YFLHYLDMIFIHOQ-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC=CC1 ZINC000076958701 135054099 /nfs/dbraw/zinc/05/40/99/135054099.db2.gz PBHVXCKFWYOQNF-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCCC1=O ZINC000076941535 135054266 /nfs/dbraw/zinc/05/42/66/135054266.db2.gz ISWPIKRCWMCDNF-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCCC1=O ZINC000076941535 135054268 /nfs/dbraw/zinc/05/42/68/135054268.db2.gz ISWPIKRCWMCDNF-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000251533933 135070671 /nfs/dbraw/zinc/07/06/71/135070671.db2.gz GMSAELKVBMAZOF-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000251533933 135070674 /nfs/dbraw/zinc/07/06/74/135070674.db2.gz GMSAELKVBMAZOF-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000249100497 135089847 /nfs/dbraw/zinc/08/98/47/135089847.db2.gz WCNXFOPSJQQGRR-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000249100497 135089848 /nfs/dbraw/zinc/08/98/48/135089848.db2.gz WCNXFOPSJQQGRR-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000086765620 135096454 /nfs/dbraw/zinc/09/64/54/135096454.db2.gz WDNSUKKALSFHDD-ZETCQYMHSA-N 1 2 213.306 0.946 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000086765620 135096455 /nfs/dbraw/zinc/09/64/55/135096455.db2.gz WDNSUKKALSFHDD-ZETCQYMHSA-N 1 2 213.306 0.946 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)n1 ZINC000086831567 135097193 /nfs/dbraw/zinc/09/71/93/135097193.db2.gz AHYZYHGQYUDDFS-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@@H](CO)C2)n1 ZINC000086831567 135097195 /nfs/dbraw/zinc/09/71/95/135097195.db2.gz AHYZYHGQYUDDFS-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261548654 135108385 /nfs/dbraw/zinc/10/83/85/135108385.db2.gz NTOFTSIPJYARIV-JGVFFNPUSA-N 1 2 218.247 0.995 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CC[C@H](C)O)CCO1 ZINC000252840400 135111626 /nfs/dbraw/zinc/11/16/26/135111626.db2.gz AARMVORBVFPOKW-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CC[C@H](C)O)CCO1 ZINC000252840400 135111627 /nfs/dbraw/zinc/11/16/27/135111627.db2.gz AARMVORBVFPOKW-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000078723146 135146159 /nfs/dbraw/zinc/14/61/59/135146159.db2.gz NUBRIGZBIMRMIF-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1sc(C)nc1C ZINC000266001565 135147131 /nfs/dbraw/zinc/14/71/31/135147131.db2.gz JIIPFFVFOXPNES-UHFFFAOYSA-N 1 2 227.333 0.938 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1sc(C)nc1C ZINC000266001565 135147133 /nfs/dbraw/zinc/14/71/33/135147133.db2.gz JIIPFFVFOXPNES-UHFFFAOYSA-N 1 2 227.333 0.938 20 0 BCADLO C[C@@H](CNC(=O)c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000267035635 135151121 /nfs/dbraw/zinc/15/11/21/135151121.db2.gz FCWSJKULFYMQFI-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO CCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261527889 135152977 /nfs/dbraw/zinc/15/29/77/135152977.db2.gz CAFVCKYNHNWAPP-ZETCQYMHSA-N 1 2 206.236 0.852 20 0 BCADLO [NH3+]Cc1nc(CN2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000261535212 135168430 /nfs/dbraw/zinc/16/84/30/135168430.db2.gz WOXZHQZRAUVFAR-DTORHVGOSA-N 1 2 222.292 0.760 20 0 BCADLO O=C(NC1CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261538914 135177522 /nfs/dbraw/zinc/17/75/22/135177522.db2.gz ZTQFKWRPKYFOLE-SSDOTTSWSA-N 1 2 204.220 0.652 20 0 BCADLO CS[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539491 135178030 /nfs/dbraw/zinc/17/80/30/135178030.db2.gz COMHHWOQJVWEQB-RNFRBKRXSA-N 1 2 238.303 0.851 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000084081635 135182162 /nfs/dbraw/zinc/18/21/62/135182162.db2.gz PBMWKHDHYJJKEU-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000084081635 135182164 /nfs/dbraw/zinc/18/21/64/135182164.db2.gz PBMWKHDHYJJKEU-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cn1 ZINC000342639674 135299196 /nfs/dbraw/zinc/29/91/96/135299196.db2.gz OHFRYNAPHLZLQY-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cn1 ZINC000342639674 135299198 /nfs/dbraw/zinc/29/91/98/135299198.db2.gz OHFRYNAPHLZLQY-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO COCc1cnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000342680567 135304939 /nfs/dbraw/zinc/30/49/39/135304939.db2.gz KICNHSSIJYIQAD-QMMMGPOBSA-N 1 2 228.317 0.856 20 0 BCADLO COCc1cnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000342680567 135304941 /nfs/dbraw/zinc/30/49/41/135304941.db2.gz KICNHSSIJYIQAD-QMMMGPOBSA-N 1 2 228.317 0.856 20 0 BCADLO Cc1c[nH+]c(CN2CCn3nc(C)nc3C2)n1C ZINC000342779401 135317587 /nfs/dbraw/zinc/31/75/87/135317587.db2.gz LLCJLDHLYIUNMU-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1c[nH+]c(CN2CCO[C@@H](C)C2)n1C ZINC000342799483 135320330 /nfs/dbraw/zinc/32/03/30/135320330.db2.gz OJFQSQQDPYOPGP-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO CC[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262894910 135323604 /nfs/dbraw/zinc/32/36/04/135323604.db2.gz CXWWFCUZFPAPAZ-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000334168087 135324793 /nfs/dbraw/zinc/32/47/93/135324793.db2.gz AQYFPCMKWIGSQH-LURJTMIESA-N 1 2 230.218 0.654 20 0 BCADLO Cc1nc(N2CC[C@H](NC(N)=O)C2)c(C)c(C)[nH+]1 ZINC000342768161 135326159 /nfs/dbraw/zinc/32/61/59/135326159.db2.gz IUFMSCOHHFDCIY-JTQLQIEISA-N 1 2 249.318 0.649 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](F)C[C@@H]2CO)n1C ZINC000342770660 135326733 /nfs/dbraw/zinc/32/67/33/135326733.db2.gz YJRCXWVXLKAKJI-NXEZZACHSA-N 1 2 227.283 0.633 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000334297360 135335083 /nfs/dbraw/zinc/33/50/83/135335083.db2.gz CVMWHFBDCDOZIE-VHSXEESVSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000334297360 135335084 /nfs/dbraw/zinc/33/50/84/135335084.db2.gz CVMWHFBDCDOZIE-VHSXEESVSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334310429 135350843 /nfs/dbraw/zinc/35/08/43/135350843.db2.gz KSEOCNWUTPOCBJ-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334310429 135350844 /nfs/dbraw/zinc/35/08/44/135350844.db2.gz KSEOCNWUTPOCBJ-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000334313539 135351937 /nfs/dbraw/zinc/35/19/37/135351937.db2.gz NOZQWUDAMHNTAQ-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000334313539 135351939 /nfs/dbraw/zinc/35/19/39/135351939.db2.gz NOZQWUDAMHNTAQ-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000079715608 135355064 /nfs/dbraw/zinc/35/50/64/135355064.db2.gz AYTIDUTZKXCCJS-JQWIXIFHSA-N 1 2 245.319 0.723 20 0 BCADLO COCC[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000282096421 135371260 /nfs/dbraw/zinc/37/12/60/135371260.db2.gz CWTPGGMHFJCUBU-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO CCn1cc(CNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000343166825 135372461 /nfs/dbraw/zinc/37/24/61/135372461.db2.gz WZYSMVMKCCNUTI-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)c1cccn1C ZINC000334370857 135375718 /nfs/dbraw/zinc/37/57/18/135375718.db2.gz PFXWXOXKJKAORE-SNVBAGLBSA-N 1 2 249.314 0.370 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1cccn1C ZINC000334370857 135375719 /nfs/dbraw/zinc/37/57/19/135375719.db2.gz PFXWXOXKJKAORE-SNVBAGLBSA-N 1 2 249.314 0.370 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(F)(F)CN1 ZINC000334389096 135383205 /nfs/dbraw/zinc/38/32/05/135383205.db2.gz RIVSOFGQOLAWBS-SECBINFHSA-N 1 2 241.241 0.748 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000299942182 135383305 /nfs/dbraw/zinc/38/33/05/135383305.db2.gz RYYAGSSQJPLFPC-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000299942182 135383306 /nfs/dbraw/zinc/38/33/06/135383306.db2.gz RYYAGSSQJPLFPC-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000081563916 135387660 /nfs/dbraw/zinc/38/76/60/135387660.db2.gz VUVGCALQAIBCBS-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(CC(F)(F)F)C[C@H]21 ZINC000334402618 135390799 /nfs/dbraw/zinc/39/07/99/135390799.db2.gz HMYYFUTVHQGILV-RKDXNWHRSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(CC(F)(F)F)C[C@H]21 ZINC000334402618 135390800 /nfs/dbraw/zinc/39/08/00/135390800.db2.gz HMYYFUTVHQGILV-RKDXNWHRSA-N 1 2 238.253 0.954 20 0 BCADLO C[C@H](F)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000334426362 135397885 /nfs/dbraw/zinc/39/78/85/135397885.db2.gz VPJYNLCUNNSCJM-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO C[C@@H](F)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000334426359 135398149 /nfs/dbraw/zinc/39/81/49/135398149.db2.gz VPJYNLCUNNSCJM-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000334419934 135399358 /nfs/dbraw/zinc/39/93/58/135399358.db2.gz QDBBYYDITNZQRA-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000334419934 135399359 /nfs/dbraw/zinc/39/93/59/135399359.db2.gz QDBBYYDITNZQRA-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO C[NH+]1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000094789912 135617804 /nfs/dbraw/zinc/61/78/04/135617804.db2.gz FHPJLJYHPBGALD-NSHDSACASA-N 1 2 212.293 0.330 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)CO ZINC000346826353 135975074 /nfs/dbraw/zinc/97/50/74/135975074.db2.gz QOUWOFPHSFARFA-SSDOTTSWSA-N 1 2 211.265 0.100 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccon1 ZINC000347775365 136008908 /nfs/dbraw/zinc/00/89/08/136008908.db2.gz LHHMNUNUDJUFCT-MRVPVSSYSA-N 1 2 249.274 0.969 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCn1cnnc1C1CC1 ZINC000347837304 136014635 /nfs/dbraw/zinc/01/46/35/136014635.db2.gz RYTNYPNPHAHVHI-UHFFFAOYSA-N 1 2 246.318 0.977 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(CO)C2)[nH+]1 ZINC000347864809 136016728 /nfs/dbraw/zinc/01/67/28/136016728.db2.gz NWRJSJPVWLXHML-UHFFFAOYSA-N 1 2 218.260 0.695 20 0 BCADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](CO)C1 ZINC000367016281 136018662 /nfs/dbraw/zinc/01/86/62/136018662.db2.gz PFGIMWJBCNOXLN-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO Cc1ccnc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000347998184 136024034 /nfs/dbraw/zinc/02/40/34/136024034.db2.gz SLGGUYCPEHPAJQ-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO COC(=O)[C@]1([NH2+]CCCOC(C)C)CCOC1 ZINC000348118923 136032363 /nfs/dbraw/zinc/03/23/63/136032363.db2.gz XKGLSGMLLMXDGE-LBPRGKRZSA-N 1 2 245.319 0.723 20 0 BCADLO Cn1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000335314837 136032568 /nfs/dbraw/zinc/03/25/68/136032568.db2.gz IVCGINNLFQDFPJ-RYUDHWBXSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000335314837 136032569 /nfs/dbraw/zinc/03/25/69/136032569.db2.gz IVCGINNLFQDFPJ-RYUDHWBXSA-N 1 2 249.314 0.180 20 0 BCADLO c1cc(C[N@@H+]2CCc3n[nH]cc3C2)on1 ZINC000335319273 136033741 /nfs/dbraw/zinc/03/37/41/136033741.db2.gz HNGWRVUIIHYJSY-UHFFFAOYSA-N 1 2 204.233 0.956 20 0 BCADLO c1cc(C[N@H+]2CCc3n[nH]cc3C2)on1 ZINC000335319273 136033742 /nfs/dbraw/zinc/03/37/42/136033742.db2.gz HNGWRVUIIHYJSY-UHFFFAOYSA-N 1 2 204.233 0.956 20 0 BCADLO Cc1cncc(=O)n1Cc1c[nH+]cn1C ZINC000348128414 136033888 /nfs/dbraw/zinc/03/38/88/136033888.db2.gz OVACXAPGSWRXIO-UHFFFAOYSA-N 1 2 204.233 0.334 20 0 BCADLO Cn1cc(CC[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000348186485 136037603 /nfs/dbraw/zinc/03/76/03/136037603.db2.gz NVYSRROZVMEDQH-UHFFFAOYSA-N 1 2 232.291 0.139 20 0 BCADLO Cn1cc(CC[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000348186485 136037604 /nfs/dbraw/zinc/03/76/04/136037604.db2.gz NVYSRROZVMEDQH-UHFFFAOYSA-N 1 2 232.291 0.139 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000348145166 136039464 /nfs/dbraw/zinc/03/94/64/136039464.db2.gz OOXIOVJTRMATTC-QMMMGPOBSA-N 1 2 227.264 0.437 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000348145166 136039465 /nfs/dbraw/zinc/03/94/65/136039465.db2.gz OOXIOVJTRMATTC-QMMMGPOBSA-N 1 2 227.264 0.437 20 0 BCADLO C[N@H+](Cc1ncnn1CC(F)F)[C@H]1CCOC1 ZINC000348156751 136040524 /nfs/dbraw/zinc/04/05/24/136040524.db2.gz JISASAPGIZHOBN-QMMMGPOBSA-N 1 2 246.261 0.764 20 0 BCADLO C[N@@H+](Cc1ncnn1CC(F)F)[C@H]1CCOC1 ZINC000348156751 136040525 /nfs/dbraw/zinc/04/05/25/136040525.db2.gz JISASAPGIZHOBN-QMMMGPOBSA-N 1 2 246.261 0.764 20 0 BCADLO CCOCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348188077 136048604 /nfs/dbraw/zinc/04/86/04/136048604.db2.gz KDKMCGUAIQAEJO-AWEZNQCLSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348188077 136048605 /nfs/dbraw/zinc/04/86/05/136048605.db2.gz KDKMCGUAIQAEJO-AWEZNQCLSA-N 1 2 219.350 0.866 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)CSC)C1CC1 ZINC000348236163 136061311 /nfs/dbraw/zinc/06/13/11/136061311.db2.gz WYOHXRWRPBAIDS-SECBINFHSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)CSC)C1CC1 ZINC000348236163 136061312 /nfs/dbraw/zinc/06/13/12/136061312.db2.gz WYOHXRWRPBAIDS-SECBINFHSA-N 1 2 233.333 0.348 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000348292276 136062614 /nfs/dbraw/zinc/06/26/14/136062614.db2.gz ILNPQYFDWLADOF-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000348292276 136062615 /nfs/dbraw/zinc/06/26/15/136062615.db2.gz ILNPQYFDWLADOF-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CC1 ZINC000348291613 136062644 /nfs/dbraw/zinc/06/26/44/136062644.db2.gz TYDKMOKVMZXYQQ-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)[nH]1 ZINC000335341300 136064369 /nfs/dbraw/zinc/06/43/69/136064369.db2.gz GSYPJZBVWBJUQK-LLVKDONJSA-N 1 2 240.282 0.492 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1nnc[nH]1 ZINC000348318463 136068721 /nfs/dbraw/zinc/06/87/21/136068721.db2.gz YFABAXDZNQUULP-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO CC[N@H+](Cc1c(C)cnn1C)[C@@H]1CCNC1=O ZINC000348349328 136071997 /nfs/dbraw/zinc/07/19/97/136071997.db2.gz KDORGNWUACRDJP-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO CC[N@@H+](Cc1c(C)cnn1C)[C@@H]1CCNC1=O ZINC000348349328 136071998 /nfs/dbraw/zinc/07/19/98/136071998.db2.gz KDORGNWUACRDJP-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccnn1C ZINC000348365307 136073076 /nfs/dbraw/zinc/07/30/76/136073076.db2.gz GUOZHICGIBBQLZ-SECBINFHSA-N 1 2 236.319 0.519 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccnn1C ZINC000348365307 136073077 /nfs/dbraw/zinc/07/30/77/136073077.db2.gz GUOZHICGIBBQLZ-SECBINFHSA-N 1 2 236.319 0.519 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000335367850 136082169 /nfs/dbraw/zinc/08/21/69/136082169.db2.gz YKLSZWKEPWGOSP-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cnccc1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000335367850 136082170 /nfs/dbraw/zinc/08/21/70/136082170.db2.gz YKLSZWKEPWGOSP-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC(=O)N1 ZINC000335398809 136093393 /nfs/dbraw/zinc/09/33/93/136093393.db2.gz KBCXUTWQZWIPDQ-JTQLQIEISA-N 1 2 244.298 0.655 20 0 BCADLO Cc1cccc(C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC000348543446 136095336 /nfs/dbraw/zinc/09/53/36/136095336.db2.gz JAJQJPVTUBZCIP-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO Cc1cccc(C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC000348543446 136095337 /nfs/dbraw/zinc/09/53/37/136095337.db2.gz JAJQJPVTUBZCIP-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCOC1 ZINC000335547989 136096845 /nfs/dbraw/zinc/09/68/45/136096845.db2.gz MVQXSPVIMTZOPR-PWSUYJOCSA-N 1 2 249.314 0.693 20 0 BCADLO COC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335549244 136097303 /nfs/dbraw/zinc/09/73/03/136097303.db2.gz SVTRECTYWOSAFU-VIFPVBQESA-N 1 2 235.287 0.303 20 0 BCADLO FC1=CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000335597155 136104895 /nfs/dbraw/zinc/10/48/95/136104895.db2.gz MZTJCIPLBTYFFM-JTQLQIEISA-N 1 2 201.241 0.961 20 0 BCADLO FC1=CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000335597155 136104896 /nfs/dbraw/zinc/10/48/96/136104896.db2.gz MZTJCIPLBTYFFM-JTQLQIEISA-N 1 2 201.241 0.961 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)s1 ZINC000348631906 136105297 /nfs/dbraw/zinc/10/52/97/136105297.db2.gz GJTKEFJRFKKITJ-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)s1 ZINC000348631906 136105298 /nfs/dbraw/zinc/10/52/98/136105298.db2.gz GJTKEFJRFKKITJ-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO CC[C@@](C)(O)C[N@@H+](C)Cc1noc(C)n1 ZINC000162484904 171178774 /nfs/dbraw/zinc/17/87/74/171178774.db2.gz NETVLIJYTAISHR-SNVBAGLBSA-N 1 2 213.281 0.971 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000308914273 397843076 /nfs/dbraw/zinc/84/30/76/397843076.db2.gz FKTGQRNPPMFYSD-PSASIEDQSA-N 1 2 215.293 0.953 20 0 BCADLO CN1CCN(S(C)(=O)=O)c2ccc[nH+]c21 ZINC000531154230 397815976 /nfs/dbraw/zinc/81/59/76/397815976.db2.gz AJFZYDBCWGVCRK-UHFFFAOYSA-N 1 2 227.289 0.297 20 0 BCADLO CSC1(C[N@H+](C)Cc2nnnn2C)CCC1 ZINC000356107364 397927522 /nfs/dbraw/zinc/92/75/22/397927522.db2.gz GUGHOIMKYHOKKD-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO CSC1(C[N@@H+](C)Cc2nnnn2C)CCC1 ZINC000356107364 397927523 /nfs/dbraw/zinc/92/75/23/397927523.db2.gz GUGHOIMKYHOKKD-UHFFFAOYSA-N 1 2 241.364 0.928 20 0 BCADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ncnn1CCF ZINC000440529120 397930978 /nfs/dbraw/zinc/93/09/78/397930978.db2.gz XILGJOUCRAITPS-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ncnn1CCF ZINC000440529120 397930979 /nfs/dbraw/zinc/93/09/79/397930979.db2.gz XILGJOUCRAITPS-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)CC1(CO)CC1 ZINC000440529311 397931520 /nfs/dbraw/zinc/93/15/20/397931520.db2.gz VHAUCUUXFAECBF-UHFFFAOYSA-N 1 2 242.298 0.452 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)CC1(CO)CC1 ZINC000440529311 397931522 /nfs/dbraw/zinc/93/15/22/397931522.db2.gz VHAUCUUXFAECBF-UHFFFAOYSA-N 1 2 242.298 0.452 20 0 BCADLO CCNC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649543611 397935645 /nfs/dbraw/zinc/93/56/45/397935645.db2.gz SNOMJRZDEVCTPU-SECBINFHSA-N 1 2 238.291 0.087 20 0 BCADLO Cc1cncc(CC[N@@H+](C)Cc2nnc[nH]2)n1 ZINC000649548622 397944567 /nfs/dbraw/zinc/94/45/67/397944567.db2.gz BZAQZRMVQJROPB-UHFFFAOYSA-N 1 2 232.291 0.578 20 0 BCADLO Cc1cncc(CC[N@H+](C)Cc2nnc[nH]2)n1 ZINC000649548622 397944575 /nfs/dbraw/zinc/94/45/75/397944575.db2.gz BZAQZRMVQJROPB-UHFFFAOYSA-N 1 2 232.291 0.578 20 0 BCADLO NC(=O)C1([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000649578215 397967281 /nfs/dbraw/zinc/96/72/81/397967281.db2.gz KIVOWGUCRWSLEZ-UHFFFAOYSA-N 1 2 234.303 0.327 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCO1 ZINC000382186816 397919824 /nfs/dbraw/zinc/91/98/24/397919824.db2.gz QAABZGKQYSSRJQ-RKDXNWHRSA-N 1 2 225.296 0.257 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@@H]2CC(F)F)N1 ZINC000649611091 397997103 /nfs/dbraw/zinc/99/71/03/397997103.db2.gz LUMNKENSBVZIMQ-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@@H]2CC(F)F)N1 ZINC000649611091 397997106 /nfs/dbraw/zinc/99/71/06/397997106.db2.gz LUMNKENSBVZIMQ-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408187325 397997323 /nfs/dbraw/zinc/99/73/23/397997323.db2.gz MHSMKLGLXDATHW-NHCYSSNCSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408187325 397997325 /nfs/dbraw/zinc/99/73/25/397997325.db2.gz MHSMKLGLXDATHW-NHCYSSNCSA-N 1 2 242.319 0.001 20 0 BCADLO OCc1nnn2c1C[N@@H+](C1CCCC1)CC2 ZINC000649614539 397997720 /nfs/dbraw/zinc/99/77/20/397997720.db2.gz LYRIIJZRRUQAIT-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO OCc1nnn2c1C[N@H+](C1CCCC1)CC2 ZINC000649614539 397997723 /nfs/dbraw/zinc/99/77/23/397997723.db2.gz LYRIIJZRRUQAIT-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)ccn1 ZINC000372312721 398000696 /nfs/dbraw/zinc/00/06/96/398000696.db2.gz AYPSIYPSNQWFLS-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)ccn1 ZINC000372312721 398000698 /nfs/dbraw/zinc/00/06/98/398000698.db2.gz AYPSIYPSNQWFLS-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@@H]1COC[C@@H]1O ZINC000323251182 398003603 /nfs/dbraw/zinc/00/36/03/398003603.db2.gz GEJKOGRFIQMZDA-KOLCDFICSA-N 1 2 233.271 0.745 20 0 BCADLO O=C1N[C@H](CCF)C(=O)N1CCn1cc[nH+]c1 ZINC000650247455 398007309 /nfs/dbraw/zinc/00/73/09/398007309.db2.gz VBKDSVSEOYSZPZ-MRVPVSSYSA-N 1 2 240.238 0.163 20 0 BCADLO O=C1N[C@@H](CCF)C(=O)N1CCn1cc[nH+]c1 ZINC000650247456 398007454 /nfs/dbraw/zinc/00/74/54/398007454.db2.gz VBKDSVSEOYSZPZ-QMMMGPOBSA-N 1 2 240.238 0.163 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649635004 398015203 /nfs/dbraw/zinc/01/52/03/398015203.db2.gz ANAXWHPMWICWOG-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649635004 398015208 /nfs/dbraw/zinc/01/52/08/398015208.db2.gz ANAXWHPMWICWOG-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CN(C)c1ccc(CNC(=O)C(C)(C)O)c[nH+]1 ZINC000274963722 398017789 /nfs/dbraw/zinc/01/77/89/398017789.db2.gz JNUXTQAHNIHFSM-UHFFFAOYSA-N 1 2 237.303 0.535 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194443 398018009 /nfs/dbraw/zinc/01/80/09/398018009.db2.gz IEDCGBHGVRPDIX-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194443 398018013 /nfs/dbraw/zinc/01/80/13/398018013.db2.gz IEDCGBHGVRPDIX-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408195170 398020777 /nfs/dbraw/zinc/02/07/77/398020777.db2.gz LSJZNMCSSHCFTP-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408195170 398020782 /nfs/dbraw/zinc/02/07/82/398020782.db2.gz LSJZNMCSSHCFTP-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO CC(C)n1cc(C(=O)NCc2c[nH+]cn2C)nn1 ZINC000356513710 398020955 /nfs/dbraw/zinc/02/09/55/398020955.db2.gz ZDTQGLONLNPWQO-UHFFFAOYSA-N 1 2 248.290 0.523 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)O ZINC000277011958 398025385 /nfs/dbraw/zinc/02/53/85/398025385.db2.gz FCEGHPGWRHZHAV-UHFFFAOYSA-N 1 2 225.292 0.503 20 0 BCADLO Cc1nc(N[C@@H](C)[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000389110061 398026438 /nfs/dbraw/zinc/02/64/38/398026438.db2.gz KLHQNCHOKFCRGR-CBAPKCEASA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@H]2CCCOC2)[nH+]1 ZINC000389110061 398026441 /nfs/dbraw/zinc/02/64/41/398026441.db2.gz KLHQNCHOKFCRGR-CBAPKCEASA-N 1 2 237.307 0.241 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CCOC1 ZINC000583702268 398037796 /nfs/dbraw/zinc/03/77/96/398037796.db2.gz OIIKRLACQITMMG-CABZTGNLSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CCOC1 ZINC000583702268 398037799 /nfs/dbraw/zinc/03/77/99/398037799.db2.gz OIIKRLACQITMMG-CABZTGNLSA-N 1 2 237.303 0.884 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCCC(F)(F)C1 ZINC000649693259 398041328 /nfs/dbraw/zinc/04/13/28/398041328.db2.gz YQUMVWNPCUZRES-SNVBAGLBSA-N 1 2 245.273 0.975 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCCC(F)(F)C1 ZINC000649693259 398041331 /nfs/dbraw/zinc/04/13/31/398041331.db2.gz YQUMVWNPCUZRES-SNVBAGLBSA-N 1 2 245.273 0.975 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000361034081 397969337 /nfs/dbraw/zinc/96/93/37/397969337.db2.gz VVRHNNKRWVISKN-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@H]2C)[nH]1 ZINC000650191034 397974595 /nfs/dbraw/zinc/97/45/95/397974595.db2.gz UCTHVTFKWBOGSQ-RKDXNWHRSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@H]2C)[nH]1 ZINC000650191034 397974599 /nfs/dbraw/zinc/97/45/99/397974599.db2.gz UCTHVTFKWBOGSQ-RKDXNWHRSA-N 1 2 224.308 0.883 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000452135408 397985627 /nfs/dbraw/zinc/98/56/27/397985627.db2.gz VYDYDUPPZWTVHY-GHMZBOCLSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(CCO)C[C@H]1C ZINC000452135408 397985630 /nfs/dbraw/zinc/98/56/30/397985630.db2.gz VYDYDUPPZWTVHY-GHMZBOCLSA-N 1 2 218.316 0.733 20 0 BCADLO Cc1cncc(CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000649601069 397988060 /nfs/dbraw/zinc/98/80/60/397988060.db2.gz AQTYRFHKVJVUAL-BETUJISGSA-N 1 2 249.314 0.427 20 0 BCADLO Cc1cncc(CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000649601069 397988063 /nfs/dbraw/zinc/98/80/63/397988063.db2.gz AQTYRFHKVJVUAL-BETUJISGSA-N 1 2 249.314 0.427 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000649730585 398068964 /nfs/dbraw/zinc/06/89/64/398068964.db2.gz ULSNYQXILVMANL-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000649730585 398068971 /nfs/dbraw/zinc/06/89/71/398068971.db2.gz ULSNYQXILVMANL-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+]Cc1csnn1 ZINC000121878724 398095010 /nfs/dbraw/zinc/09/50/10/398095010.db2.gz PYAWYFQHZWPHRA-UHFFFAOYSA-N 1 2 228.321 0.542 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCOCC1 ZINC000558034707 398082051 /nfs/dbraw/zinc/08/20/51/398082051.db2.gz DTZKAIULZIWJOJ-JTQLQIEISA-N 1 2 223.276 0.568 20 0 BCADLO Cc1nc(N[C@H]2CCOC2(C)C)nc(N)[nH+]1 ZINC000328451448 398083483 /nfs/dbraw/zinc/08/34/83/398083483.db2.gz PPUKLCNKEYHJKJ-ZETCQYMHSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCOC2(C)C)[nH+]1 ZINC000328451448 398083485 /nfs/dbraw/zinc/08/34/85/398083485.db2.gz PPUKLCNKEYHJKJ-ZETCQYMHSA-N 1 2 223.280 0.742 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(CO)cc2)C1 ZINC000384037564 398056412 /nfs/dbraw/zinc/05/64/12/398056412.db2.gz FBCLHGZYEYBOQO-UHFFFAOYSA-N 1 2 237.299 0.372 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000218062823 398099652 /nfs/dbraw/zinc/09/96/52/398099652.db2.gz JTUOQSSDLBEJOQ-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCO1 ZINC000292567959 398105227 /nfs/dbraw/zinc/10/52/27/398105227.db2.gz USHVYQFCAFUIBB-VIFPVBQESA-N 1 2 224.264 0.619 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000649802421 398110756 /nfs/dbraw/zinc/11/07/56/398110756.db2.gz MGKPODYXFQWISB-SNVBAGLBSA-N 1 2 238.335 0.656 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523438357 398113553 /nfs/dbraw/zinc/11/35/53/398113553.db2.gz BOWDZRCFAHAIPO-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523438357 398113555 /nfs/dbraw/zinc/11/35/55/398113555.db2.gz BOWDZRCFAHAIPO-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066497009 398123935 /nfs/dbraw/zinc/12/39/35/398123935.db2.gz FBUFQXIKSRXVAJ-UHFFFAOYSA-N 1 2 220.276 0.864 20 0 BCADLO CCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066497009 398123937 /nfs/dbraw/zinc/12/39/37/398123937.db2.gz FBUFQXIKSRXVAJ-UHFFFAOYSA-N 1 2 220.276 0.864 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649825901 398128023 /nfs/dbraw/zinc/12/80/23/398128023.db2.gz JDBOASJJBZASEN-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649825901 398128024 /nfs/dbraw/zinc/12/80/24/398128024.db2.gz JDBOASJJBZASEN-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO COC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000649208788 398129485 /nfs/dbraw/zinc/12/94/85/398129485.db2.gz GZSATCXKIAGAHW-UHFFFAOYSA-N 1 2 235.287 0.789 20 0 BCADLO Cc1ccn2cc(CNC(=O)[C@@H](C)O)[nH+]c2c1 ZINC000294654202 398129815 /nfs/dbraw/zinc/12/98/15/398129815.db2.gz VYTDCCIBRBHNTA-SECBINFHSA-N 1 2 233.271 0.640 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180406043 167048831 /nfs/dbraw/zinc/04/88/31/167048831.db2.gz LWMKTFYVHGDCFL-JTQLQIEISA-N 1 2 238.335 0.938 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364399652 167050545 /nfs/dbraw/zinc/05/05/45/167050545.db2.gz KGJQTARDVNOKOL-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364399652 167050549 /nfs/dbraw/zinc/05/05/49/167050549.db2.gz KGJQTARDVNOKOL-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000035148320 167058067 /nfs/dbraw/zinc/05/80/67/167058067.db2.gz YIWYRFBAQHFCTL-UHFFFAOYSA-N 1 2 244.726 0.688 20 0 BCADLO CC(C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105066404 167077865 /nfs/dbraw/zinc/07/78/65/167077865.db2.gz SJKMYPVJPBUBMP-MNOVXSKESA-N 1 2 243.351 0.803 20 0 BCADLO COCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264664890 174199169 /nfs/dbraw/zinc/19/91/69/174199169.db2.gz IGITUIQLOLVXAI-UHFFFAOYSA-N 1 2 211.265 0.875 20 0 BCADLO CC(C)c1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000680329309 487562875 /nfs/dbraw/zinc/56/28/75/487562875.db2.gz OTBXJHRUHGQUHU-DTORHVGOSA-N 1 2 242.344 0.804 20 0 BCADLO CC(C)c1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000680329309 487562877 /nfs/dbraw/zinc/56/28/77/487562877.db2.gz OTBXJHRUHGQUHU-DTORHVGOSA-N 1 2 242.344 0.804 20 0 BCADLO Cn1cncc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000674369855 487566533 /nfs/dbraw/zinc/56/65/33/487566533.db2.gz DVAMYKLXQNCWKB-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1cncc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000674369855 487566536 /nfs/dbraw/zinc/56/65/36/487566536.db2.gz DVAMYKLXQNCWKB-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccn(C)n1 ZINC000020349985 487567596 /nfs/dbraw/zinc/56/75/96/487567596.db2.gz NYKHQIQZCJIRIN-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO COC[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000674414071 487573067 /nfs/dbraw/zinc/57/30/67/487573067.db2.gz SKXFJJUDRRPNMX-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000674809222 487575244 /nfs/dbraw/zinc/57/52/44/487575244.db2.gz YDEBMOLCTDXFOM-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2(CC2)C1 ZINC000334878254 487577240 /nfs/dbraw/zinc/57/72/40/487577240.db2.gz ANPJZNWNTXTPJL-SNVBAGLBSA-N 1 2 224.304 0.330 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC2(CC2)C1 ZINC000334878254 487577247 /nfs/dbraw/zinc/57/72/47/487577247.db2.gz ANPJZNWNTXTPJL-SNVBAGLBSA-N 1 2 224.304 0.330 20 0 BCADLO CCn1ccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000020441676 487578496 /nfs/dbraw/zinc/57/84/96/487578496.db2.gz FRISEFKCGDSBGG-UHFFFAOYSA-N 1 2 247.302 0.920 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2cnoc2)C1 ZINC000673653509 487580587 /nfs/dbraw/zinc/58/05/87/487580587.db2.gz GQVVNVMTYGVVIC-VIFPVBQESA-N 1 2 225.248 0.334 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2cnoc2)C1 ZINC000673653509 487580591 /nfs/dbraw/zinc/58/05/91/487580591.db2.gz GQVVNVMTYGVVIC-VIFPVBQESA-N 1 2 225.248 0.334 20 0 BCADLO CN(C)c1cc[nH+]c(NC(=O)c2ncn(C)n2)c1 ZINC000685824584 487582024 /nfs/dbraw/zinc/58/20/24/487582024.db2.gz YOJKZHOMXUSNAR-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(F)c2F)C1 ZINC000674466237 487582385 /nfs/dbraw/zinc/58/23/85/487582385.db2.gz XZCKIGZYVSDHSZ-AOOOYVTPSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(F)c2F)C1 ZINC000674466237 487582390 /nfs/dbraw/zinc/58/23/90/487582390.db2.gz XZCKIGZYVSDHSZ-AOOOYVTPSA-N 1 2 243.253 0.892 20 0 BCADLO COCc1nc(C[NH2+][C@H](COC)C(C)C)no1 ZINC000680395861 487583940 /nfs/dbraw/zinc/58/39/40/487583940.db2.gz DLBZSZNYRQNFRJ-SECBINFHSA-N 1 2 243.307 0.977 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)[nH]n1 ZINC000672156399 487584548 /nfs/dbraw/zinc/58/45/48/487584548.db2.gz LCGNMQZUKKJVGZ-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000685843949 487586491 /nfs/dbraw/zinc/58/64/91/487586491.db2.gz BIWXKMLBQPPOIR-SNVBAGLBSA-N 1 2 232.291 0.757 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000685843948 487586404 /nfs/dbraw/zinc/58/64/04/487586404.db2.gz BIWXKMLBQPPOIR-JTQLQIEISA-N 1 2 232.291 0.757 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672156892 487595401 /nfs/dbraw/zinc/59/54/01/487595401.db2.gz WILLJRVODCVFEC-KKZNHRDASA-N 1 2 219.288 0.970 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)c[nH]1 ZINC000556719861 322920505 /nfs/dbraw/zinc/92/05/05/322920505.db2.gz XFZUCZKXWJUIIC-UHFFFAOYSA-N 1 2 236.250 0.860 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCOCC1 ZINC000364373453 167318183 /nfs/dbraw/zinc/31/81/83/167318183.db2.gz FGUNISPKYITWRB-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCOCC1 ZINC000364373453 167318186 /nfs/dbraw/zinc/31/81/86/167318186.db2.gz FGUNISPKYITWRB-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCC(=O)N1CCC[N@H+](Cc2cncnc2)CC1 ZINC000536652644 487605685 /nfs/dbraw/zinc/60/56/85/487605685.db2.gz IBIROBXNLNEDFJ-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO CCC(=O)N1CCC[N@@H+](Cc2cncnc2)CC1 ZINC000536652644 487605686 /nfs/dbraw/zinc/60/56/86/487605686.db2.gz IBIROBXNLNEDFJ-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cccnn1 ZINC000556757686 322922372 /nfs/dbraw/zinc/92/23/72/322922372.db2.gz DWWFLPIXXDAXOK-UHFFFAOYSA-N 1 2 203.249 0.847 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2c[nH+]c[nH]2)C1 ZINC000660727387 409668917 /nfs/dbraw/zinc/66/89/17/409668917.db2.gz HISDJAOVXPYUMW-UHFFFAOYSA-N 1 2 229.305 0.029 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2c[nH]c[nH+]2)C1 ZINC000660727387 409668920 /nfs/dbraw/zinc/66/89/20/409668920.db2.gz HISDJAOVXPYUMW-UHFFFAOYSA-N 1 2 229.305 0.029 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@](C)(C(F)F)C2)C1=O ZINC000662370688 409679430 /nfs/dbraw/zinc/67/94/30/409679430.db2.gz GXJZPYZFKICMSR-KCJUWKMLSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@](C)(C(F)F)C2)C1=O ZINC000662370688 409679440 /nfs/dbraw/zinc/67/94/40/409679440.db2.gz GXJZPYZFKICMSR-KCJUWKMLSA-N 1 2 248.273 0.573 20 0 BCADLO CC[C@@H]([NH2+]C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000662467025 409725673 /nfs/dbraw/zinc/72/56/73/409725673.db2.gz MDAMEVQPZODYIZ-MRVPVSSYSA-N 1 2 233.275 0.894 20 0 BCADLO CCc1nnc([C@H](C)[NH2+][C@@H]2COC[C@@H]2OC)[nH]1 ZINC000660779677 409739291 /nfs/dbraw/zinc/73/92/91/409739291.db2.gz GUHKYRJVTZBTCI-YIZRAAEISA-N 1 2 240.307 0.432 20 0 BCADLO COCC1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000655252708 409753808 /nfs/dbraw/zinc/75/38/08/409753808.db2.gz UIDQLNSBNZLHDK-UHFFFAOYSA-N 1 2 237.303 0.803 20 0 BCADLO COCC1(CNC(=O)Cc2[nH+]c[nH]c2C)CC1 ZINC000655252708 409753815 /nfs/dbraw/zinc/75/38/15/409753815.db2.gz UIDQLNSBNZLHDK-UHFFFAOYSA-N 1 2 237.303 0.803 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843470 409835906 /nfs/dbraw/zinc/83/59/06/409835906.db2.gz YTYFIYVIULXXPY-SSDOTTSWSA-N 1 2 215.253 0.368 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843470 409835913 /nfs/dbraw/zinc/83/59/13/409835913.db2.gz YTYFIYVIULXXPY-SSDOTTSWSA-N 1 2 215.253 0.368 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000655330956 409897956 /nfs/dbraw/zinc/89/79/56/409897956.db2.gz BUTIJERCGQTYFS-UHFFFAOYSA-N 1 2 233.275 0.670 20 0 BCADLO Cc1cc(CNc2cc[nH+]c(C)n2)[nH]n1 ZINC000379964143 409956285 /nfs/dbraw/zinc/95/62/85/409956285.db2.gz YARSBSUAYHDLIX-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BCADLO Cc1cc(CNc2cc[nH+]c(C)n2)n[nH]1 ZINC000379964143 409956291 /nfs/dbraw/zinc/95/62/91/409956291.db2.gz YARSBSUAYHDLIX-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BCADLO C[C@@H](O)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000655369635 409990997 /nfs/dbraw/zinc/99/09/97/409990997.db2.gz CRPXQNXZBNFJQD-SECBINFHSA-N 1 2 223.276 0.255 20 0 BCADLO CCN(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000389576285 410008478 /nfs/dbraw/zinc/00/84/78/410008478.db2.gz DYESRRSXDRUFFS-UHFFFAOYSA-N 1 2 231.321 0.555 20 0 BCADLO O[C@@H]1CCN(C2C[NH+](Cc3cccs3)C2)C1 ZINC000651978364 410026346 /nfs/dbraw/zinc/02/63/46/410026346.db2.gz HVNXEWGEVBJPGG-LLVKDONJSA-N 1 2 238.356 0.999 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046512493 410178900 /nfs/dbraw/zinc/17/89/00/410178900.db2.gz ZWMAIMOQEOZRDG-SNVBAGLBSA-N 1 2 243.351 0.344 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046512493 410178905 /nfs/dbraw/zinc/17/89/05/410178905.db2.gz ZWMAIMOQEOZRDG-SNVBAGLBSA-N 1 2 243.351 0.344 20 0 BCADLO C[NH+](C)[C@@H](CNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000650766330 410416501 /nfs/dbraw/zinc/41/65/01/410416501.db2.gz DXJOHOVYLZXSFU-LBPRGKRZSA-N 1 2 249.314 0.954 20 0 BCADLO Cc1cn2ccc(C(=O)NC[C@@H](C)O)cc2[nH+]1 ZINC000071540725 410416768 /nfs/dbraw/zinc/41/67/68/410416768.db2.gz APYMXWUTHDNCIP-SECBINFHSA-N 1 2 233.271 0.753 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccnc(C)n1 ZINC000650790148 410437636 /nfs/dbraw/zinc/43/76/36/410437636.db2.gz FSRNXXRDVUMIFU-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO O[C@H]1CC[N@H+](CCC2(O)CCC2)CC1(F)F ZINC000661414694 410624519 /nfs/dbraw/zinc/62/45/19/410624519.db2.gz UTMYUEMHOXPHOO-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO O[C@H]1CC[N@@H+](CCC2(O)CCC2)CC1(F)F ZINC000661414694 410624523 /nfs/dbraw/zinc/62/45/23/410624523.db2.gz UTMYUEMHOXPHOO-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO CCC[C@H](O)C[N@H+](C)Cc1nnc(C)o1 ZINC000661529064 410729236 /nfs/dbraw/zinc/72/92/36/410729236.db2.gz JJRSITJLLNFQFQ-VIFPVBQESA-N 1 2 213.281 0.971 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661529064 410729245 /nfs/dbraw/zinc/72/92/45/410729245.db2.gz JJRSITJLLNFQFQ-VIFPVBQESA-N 1 2 213.281 0.971 20 0 BCADLO C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H](C)C1=O ZINC000661539132 410739087 /nfs/dbraw/zinc/73/90/87/410739087.db2.gz NPYQEGAGHHBSBX-NXEZZACHSA-N 1 2 239.319 0.169 20 0 BCADLO C[C@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450239818 410739759 /nfs/dbraw/zinc/73/97/59/410739759.db2.gz ZODRQHUDTPPEEC-SECBINFHSA-N 1 2 246.314 1.489 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@H](CC)CO)n1 ZINC000393421184 410684525 /nfs/dbraw/zinc/68/45/25/410684525.db2.gz NJRWXZARSNIFJS-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@H+](C)[C@H](CC)CO)n1 ZINC000393421184 410684533 /nfs/dbraw/zinc/68/45/33/410684533.db2.gz NJRWXZARSNIFJS-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO COCCc1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000182231082 410685996 /nfs/dbraw/zinc/68/59/96/410685996.db2.gz NIKZWGGFHSUTLR-VIFPVBQESA-N 1 2 243.307 0.725 20 0 BCADLO COCCc1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000182231082 410686001 /nfs/dbraw/zinc/68/60/01/410686001.db2.gz NIKZWGGFHSUTLR-VIFPVBQESA-N 1 2 243.307 0.725 20 0 BCADLO CCCC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000651083656 410786769 /nfs/dbraw/zinc/78/67/69/410786769.db2.gz HZBXPMJBLWLUEO-UHFFFAOYSA-N 1 2 242.363 0.949 20 0 BCADLO OCc1cc[nH+]c(N2CCC[C@H](CO)C2)c1 ZINC000040863805 410896679 /nfs/dbraw/zinc/89/66/79/410896679.db2.gz KJVZMYWCGPKUJU-NSHDSACASA-N 1 2 222.288 0.783 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180406043 167048828 /nfs/dbraw/zinc/04/88/28/167048828.db2.gz LWMKTFYVHGDCFL-JTQLQIEISA-N 1 2 238.335 0.938 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000330447560 167049298 /nfs/dbraw/zinc/04/92/98/167049298.db2.gz WDSGFHYXKAXCFC-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000330447560 167049301 /nfs/dbraw/zinc/04/93/01/167049301.db2.gz WDSGFHYXKAXCFC-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047575377 167077394 /nfs/dbraw/zinc/07/73/94/167077394.db2.gz WRPANHYQUSNGBZ-SECBINFHSA-N 1 2 210.281 0.979 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000345351909 167082826 /nfs/dbraw/zinc/08/28/26/167082826.db2.gz OUPTWUHGIYCSQD-ZJUUUORDSA-N 1 2 236.319 0.831 20 0 BCADLO COC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396916731 410909116 /nfs/dbraw/zinc/90/91/16/410909116.db2.gz PSNMISJFZVSBPS-UHFFFAOYSA-N 1 2 223.276 0.719 20 0 BCADLO COC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396916731 410909121 /nfs/dbraw/zinc/90/91/21/410909121.db2.gz PSNMISJFZVSBPS-UHFFFAOYSA-N 1 2 223.276 0.719 20 0 BCADLO CC(C)OCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330620300 167187532 /nfs/dbraw/zinc/18/75/32/167187532.db2.gz JQNNZVYUKWULTA-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330620300 167187535 /nfs/dbraw/zinc/18/75/35/167187535.db2.gz JQNNZVYUKWULTA-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283059279 167236494 /nfs/dbraw/zinc/23/64/94/167236494.db2.gz JVBXNUZQDDUOJE-ONEGZZNKSA-N 1 2 223.276 0.964 20 0 BCADLO CC(C)OCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287889754 167237502 /nfs/dbraw/zinc/23/75/02/167237502.db2.gz QJUGALXLJOZNIF-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC000364221575 167264196 /nfs/dbraw/zinc/26/41/96/167264196.db2.gz SUMWSYSESWDMJO-LBPRGKRZSA-N 1 2 247.335 0.121 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC000364221575 167264198 /nfs/dbraw/zinc/26/41/98/167264198.db2.gz SUMWSYSESWDMJO-LBPRGKRZSA-N 1 2 247.335 0.121 20 0 BCADLO Cc1cnc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000041904451 410943561 /nfs/dbraw/zinc/94/35/61/410943561.db2.gz NHGILBXXPYHWEA-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO C[C@H](O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651357010 410946228 /nfs/dbraw/zinc/94/62/28/410946228.db2.gz DLTHYJOIPSUGOZ-UWVGGRQHSA-N 1 2 225.292 0.721 20 0 BCADLO C[C@@H](CCO)N(C)c1[nH+]cnc2c1cnn2C ZINC000651471519 411052435 /nfs/dbraw/zinc/05/24/35/411052435.db2.gz WXHWRHHITIXIAW-QMMMGPOBSA-N 1 2 235.291 0.570 20 0 BCADLO C[C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651517814 411076037 /nfs/dbraw/zinc/07/60/37/411076037.db2.gz AZLWNARIOYGROM-ZJUUUORDSA-N 1 2 225.292 0.579 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000399273373 411031130 /nfs/dbraw/zinc/03/11/30/411031130.db2.gz XFLWAZWXKYNCIR-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000399273373 411031138 /nfs/dbraw/zinc/03/11/38/411031138.db2.gz XFLWAZWXKYNCIR-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000045752101 411148785 /nfs/dbraw/zinc/14/87/85/411148785.db2.gz MQAXFAYUFMOFEZ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000045752101 411148786 /nfs/dbraw/zinc/14/87/86/411148786.db2.gz MQAXFAYUFMOFEZ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CNC(=O)CCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636653 411153376 /nfs/dbraw/zinc/15/33/76/411153376.db2.gz IESMUGNKWSXTNU-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)CCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636653 411153377 /nfs/dbraw/zinc/15/33/77/411153377.db2.gz IESMUGNKWSXTNU-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CCOC[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659982489 411154164 /nfs/dbraw/zinc/15/41/64/411154164.db2.gz OEGUFFKUXBCYLW-JTQLQIEISA-N 1 2 224.308 0.706 20 0 BCADLO CCOC[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659982489 411154166 /nfs/dbraw/zinc/15/41/66/411154166.db2.gz OEGUFFKUXBCYLW-JTQLQIEISA-N 1 2 224.308 0.706 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000653652167 411156774 /nfs/dbraw/zinc/15/67/74/411156774.db2.gz PGBBTRYMNJSXGS-UHFFFAOYSA-N 1 2 248.290 0.544 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCCC[C@H]2CO)[nH]1 ZINC000653783520 411170963 /nfs/dbraw/zinc/17/09/63/411170963.db2.gz MGYOPWBJIWZWJR-QMMMGPOBSA-N 1 2 226.280 0.247 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCCC[C@H]2CO)[nH]1 ZINC000653783520 411170965 /nfs/dbraw/zinc/17/09/65/411170965.db2.gz MGYOPWBJIWZWJR-QMMMGPOBSA-N 1 2 226.280 0.247 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000048048037 411172323 /nfs/dbraw/zinc/17/23/23/411172323.db2.gz UPKINGDEGHSRFH-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000048048037 411172326 /nfs/dbraw/zinc/17/23/26/411172326.db2.gz UPKINGDEGHSRFH-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@H](C)CO ZINC000656111843 411181478 /nfs/dbraw/zinc/18/14/78/411181478.db2.gz IFSZNFWINSGENU-ZETCQYMHSA-N 1 2 211.265 0.834 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](C)CC(N)=O ZINC000656127907 411183127 /nfs/dbraw/zinc/18/31/27/411183127.db2.gz BDBQBUQAENANPD-LURJTMIESA-N 1 2 224.264 0.469 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H]1CC(=O)N(C)C1 ZINC000656127648 411183307 /nfs/dbraw/zinc/18/33/07/411183307.db2.gz SYNIOVFJFBKXKN-MRVPVSSYSA-N 1 2 236.275 0.436 20 0 BCADLO COc1c(C)[nH+]cnc1NCCCOCCO ZINC000656155686 411186429 /nfs/dbraw/zinc/18/64/29/411186429.db2.gz ZZEOUNNLTMJLTD-UHFFFAOYSA-N 1 2 241.291 0.605 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@@H](C)[C@@H](O)C1 ZINC000656151587 411186802 /nfs/dbraw/zinc/18/68/02/411186802.db2.gz LTLPFUOJECERNG-APPZFPTMSA-N 1 2 223.276 0.611 20 0 BCADLO CC[C@@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155201 411189740 /nfs/dbraw/zinc/18/97/40/411189740.db2.gz MDKXRDAJFIHDRT-MRVPVSSYSA-N 1 2 227.312 0.289 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000656189382 411197239 /nfs/dbraw/zinc/19/72/39/411197239.db2.gz WYAQETMJEPZQOI-MYJAWHEDSA-N 1 2 235.287 0.468 20 0 BCADLO Cc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)nc1 ZINC000653842390 411197838 /nfs/dbraw/zinc/19/78/38/411197838.db2.gz KCYIDHLARUGDQR-LBPRGKRZSA-N 1 2 235.287 0.124 20 0 BCADLO Cc1ccnc(C[NH2+][C@@]2(C(N)=O)CCOC2)c1 ZINC000653847134 411199085 /nfs/dbraw/zinc/19/90/85/411199085.db2.gz SBQOBMLOTIUYGD-LBPRGKRZSA-N 1 2 235.287 0.124 20 0 BCADLO COCC1(CNc2nc[nH+]c(N)c2OC)CC1 ZINC000656212581 411210672 /nfs/dbraw/zinc/21/06/72/411210672.db2.gz CUOREMSWVJWFRV-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO COCC1(CNc2[nH+]cnc(N)c2OC)CC1 ZINC000656212581 411210674 /nfs/dbraw/zinc/21/06/74/411210674.db2.gz CUOREMSWVJWFRV-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1nncn1C)C1CC1 ZINC000653900633 411216497 /nfs/dbraw/zinc/21/64/97/411216497.db2.gz DPEIMCRRWYNSNY-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1nncn1C)C1CC1 ZINC000653900633 411216499 /nfs/dbraw/zinc/21/64/99/411216499.db2.gz DPEIMCRRWYNSNY-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H](O)C[N@H+](Cc1nccc(N)n1)C1CC1 ZINC000653902142 411217090 /nfs/dbraw/zinc/21/70/90/411217090.db2.gz LKTCINCQOHGSCW-QMMMGPOBSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1nccc(N)n1)C1CC1 ZINC000653902142 411217091 /nfs/dbraw/zinc/21/70/91/411217091.db2.gz LKTCINCQOHGSCW-QMMMGPOBSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H](O)C[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000653902211 411217853 /nfs/dbraw/zinc/21/78/53/411217853.db2.gz NLBZIHGMSMEMHT-VIFPVBQESA-N 1 2 242.298 0.593 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000653902211 411217855 /nfs/dbraw/zinc/21/78/55/411217855.db2.gz NLBZIHGMSMEMHT-VIFPVBQESA-N 1 2 242.298 0.593 20 0 BCADLO CO[C@](C)(CO)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000655784904 411224918 /nfs/dbraw/zinc/22/49/18/411224918.db2.gz HLLPTMNGZQQABA-KCJUWKMLSA-N 1 2 227.308 0.766 20 0 BCADLO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000655784905 411224996 /nfs/dbraw/zinc/22/49/96/411224996.db2.gz HLLPTMNGZQQABA-KWQFWETISA-N 1 2 227.308 0.766 20 0 BCADLO CCc1cc(NC2COCCOC2)nc[nH+]1 ZINC000309403261 411242009 /nfs/dbraw/zinc/24/20/09/411242009.db2.gz WQTDOCYIHNLXSC-UHFFFAOYSA-N 1 2 223.276 0.866 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872649 411167201 /nfs/dbraw/zinc/16/72/01/411167201.db2.gz XLJUICZQLXTRAR-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872650 411167283 /nfs/dbraw/zinc/16/72/83/411167283.db2.gz XLJUICZQLXTRAR-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)(C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000656454477 411263363 /nfs/dbraw/zinc/26/33/63/411263363.db2.gz CBTVKVYZJPFKNQ-UHFFFAOYSA-N 1 2 238.335 0.908 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000050791916 411264892 /nfs/dbraw/zinc/26/48/92/411264892.db2.gz UGKHQPJMCMFIEA-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(N)nc1 ZINC000050817046 411266494 /nfs/dbraw/zinc/26/64/94/411266494.db2.gz DRWSRGNLQMVGJJ-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N)nc1 ZINC000050817046 411266498 /nfs/dbraw/zinc/26/64/98/411266498.db2.gz DRWSRGNLQMVGJJ-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO NC(=O)C1(n2cc(C[NH+]3CCCCC3)nn2)CC1 ZINC000656458888 411268750 /nfs/dbraw/zinc/26/87/50/411268750.db2.gz KGKHSTZVVWXCOH-UHFFFAOYSA-N 1 2 249.318 0.238 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1CC1CC1 ZINC000656464572 411271622 /nfs/dbraw/zinc/27/16/22/411271622.db2.gz PSZZYRPZSQCRHM-JTQLQIEISA-N 1 2 208.265 0.349 20 0 BCADLO Cc1nc(NCC2(CCO)CCC2)nc(N)[nH+]1 ZINC000631172313 411276738 /nfs/dbraw/zinc/27/67/38/411276738.db2.gz NXLRFPRXQFFTFI-UHFFFAOYSA-N 1 2 237.307 0.149 20 0 BCADLO Cc1nc(N)nc(NCC2(CCO)CCC2)[nH+]1 ZINC000631172313 411276744 /nfs/dbraw/zinc/27/67/44/411276744.db2.gz NXLRFPRXQFFTFI-UHFFFAOYSA-N 1 2 237.307 0.149 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCOCC1CCCC1 ZINC000656504299 411287413 /nfs/dbraw/zinc/28/74/13/411287413.db2.gz YDMWGIJZWBPDOB-CYBMUJFWSA-N 1 2 243.347 0.886 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCOCC1CCCC1 ZINC000656504299 411287416 /nfs/dbraw/zinc/28/74/16/411287416.db2.gz YDMWGIJZWBPDOB-CYBMUJFWSA-N 1 2 243.347 0.886 20 0 BCADLO CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000656542396 411294842 /nfs/dbraw/zinc/29/48/42/411294842.db2.gz GFCBJDSWGJQKQT-NXEZZACHSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000656542396 411294844 /nfs/dbraw/zinc/29/48/44/411294844.db2.gz GFCBJDSWGJQKQT-NXEZZACHSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000656542399 411295159 /nfs/dbraw/zinc/29/51/59/411295159.db2.gz GFCBJDSWGJQKQT-ZJUUUORDSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000656542399 411295164 /nfs/dbraw/zinc/29/51/64/411295164.db2.gz GFCBJDSWGJQKQT-ZJUUUORDSA-N 1 2 229.324 0.415 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC/C=C/CO ZINC000656543502 411299147 /nfs/dbraw/zinc/29/91/47/411299147.db2.gz RCCKVKTXGMCMSZ-PBKGFPTLSA-N 1 2 238.291 0.119 20 0 BCADLO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCOCC1 ZINC000659812951 411299858 /nfs/dbraw/zinc/29/98/58/411299858.db2.gz CVFAJMBRYRLHHH-QJPTWQEYSA-N 1 2 238.331 0.766 20 0 BCADLO CC(=O)NCCNc1nc(C)[nH+]cc1C ZINC000573371997 411302706 /nfs/dbraw/zinc/30/27/06/411302706.db2.gz SSOGOLFJPCSVQR-UHFFFAOYSA-N 1 2 208.265 0.641 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CC[C@](F)(CO)C2)C1=O ZINC000660488345 411320275 /nfs/dbraw/zinc/32/02/75/411320275.db2.gz GGWARQYESWZLDL-GXSJLCMTSA-N 1 2 230.283 0.014 20 0 BCADLO CCN1CC[C@H]([N@H+]2CC[C@](F)(CO)C2)C1=O ZINC000660488345 411320279 /nfs/dbraw/zinc/32/02/79/411320279.db2.gz GGWARQYESWZLDL-GXSJLCMTSA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H](CC(=O)N[C@@H](CO)CCF)n1cc[nH+]c1 ZINC000652908497 411322322 /nfs/dbraw/zinc/32/23/22/411322322.db2.gz DVIGHKQMDFYZFK-NXEZZACHSA-N 1 2 243.282 0.671 20 0 BCADLO Cc1ccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)o1 ZINC000656448704 411254739 /nfs/dbraw/zinc/25/47/39/411254739.db2.gz XUVGPXCHJUUAQH-LBPRGKRZSA-N 1 2 248.286 0.889 20 0 BCADLO Cc1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)o1 ZINC000656448703 411255222 /nfs/dbraw/zinc/25/52/22/411255222.db2.gz XUVGPXCHJUUAQH-GFCCVEGCSA-N 1 2 248.286 0.889 20 0 BCADLO C[C@@H](CN(C)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC000660142691 411257607 /nfs/dbraw/zinc/25/76/07/411257607.db2.gz BUKFHUKWSBPPAL-VIFPVBQESA-N 1 2 245.348 0.522 20 0 BCADLO c1csc(-n2cc([C@@H]3COCC[NH2+]3)nn2)n1 ZINC000656439832 411258054 /nfs/dbraw/zinc/25/80/54/411258054.db2.gz CYJNFJRWTPCKQR-QMMMGPOBSA-N 1 2 237.288 0.385 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125177106 411350761 /nfs/dbraw/zinc/35/07/61/411350761.db2.gz JMTJSKBWYSPLJC-MRVPVSSYSA-N 1 2 209.249 0.956 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662038208 411352591 /nfs/dbraw/zinc/35/25/91/411352591.db2.gz VRBHTPHHMABMMC-VHSXEESVSA-N 1 2 222.292 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662038208 411352594 /nfs/dbraw/zinc/35/25/94/411352594.db2.gz VRBHTPHHMABMMC-VHSXEESVSA-N 1 2 222.292 0.581 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000652958255 411361956 /nfs/dbraw/zinc/36/19/56/411361956.db2.gz HJCIDVVFYXYJMR-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)Cc1c[nH+]cn1C ZINC000652958708 411363130 /nfs/dbraw/zinc/36/31/30/411363130.db2.gz PGNALTBKGAHAJO-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)CCO ZINC000652958812 411363236 /nfs/dbraw/zinc/36/32/36/411363236.db2.gz RPZHAMSWYSGYCY-MRVPVSSYSA-N 1 2 225.292 0.490 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2nccnc2C1 ZINC000662122437 411363734 /nfs/dbraw/zinc/36/37/34/411363734.db2.gz KKFINHGIFPXRAT-NSHDSACASA-N 1 2 232.287 0.113 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCc2nccnc2C1 ZINC000662122437 411363736 /nfs/dbraw/zinc/36/37/36/411363736.db2.gz KKFINHGIFPXRAT-NSHDSACASA-N 1 2 232.287 0.113 20 0 BCADLO Cn1c[nH+]c(CN(C2CC2)C2COC2)c1 ZINC000660648821 411371324 /nfs/dbraw/zinc/37/13/24/411371324.db2.gz XOXWMOJXGYSIED-UHFFFAOYSA-N 1 2 207.277 0.783 20 0 BCADLO CN1CCC[C@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660581802 411334540 /nfs/dbraw/zinc/33/45/40/411334540.db2.gz JSIXMOVTNZOTAC-NSHDSACASA-N 1 2 234.303 0.320 20 0 BCADLO CCN1CC[C@@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660584164 411337952 /nfs/dbraw/zinc/33/79/52/411337952.db2.gz QCWPGXRVIFINFS-LLVKDONJSA-N 1 2 234.303 0.320 20 0 BCADLO C[C@@H](c1nccc(N)n1)N1CCn2c[nH+]cc2C1 ZINC000660583899 411338135 /nfs/dbraw/zinc/33/81/35/411338135.db2.gz OAVFNCFKTAUCDX-VIFPVBQESA-N 1 2 244.302 0.832 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000408241434 168006705 /nfs/dbraw/zinc/00/67/05/168006705.db2.gz WOAUJAMHDOXZGR-SNVBAGLBSA-N 1 2 237.303 0.714 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000408241434 168006706 /nfs/dbraw/zinc/00/67/06/168006706.db2.gz WOAUJAMHDOXZGR-SNVBAGLBSA-N 1 2 237.303 0.714 20 0 BCADLO CC1(C[N@@H+]2CCn3ccnc3C2)COC1 ZINC000336646266 168027236 /nfs/dbraw/zinc/02/72/36/168027236.db2.gz KAFZJXNWPPITDL-UHFFFAOYSA-N 1 2 207.277 0.735 20 0 BCADLO CC1(C[N@H+]2CCn3ccnc3C2)COC1 ZINC000336646266 168027239 /nfs/dbraw/zinc/02/72/39/168027239.db2.gz KAFZJXNWPPITDL-UHFFFAOYSA-N 1 2 207.277 0.735 20 0 BCADLO CC1(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000357780337 168032335 /nfs/dbraw/zinc/03/23/35/168032335.db2.gz OMBPBQDJAJBZTP-UHFFFAOYSA-N 1 2 241.335 0.418 20 0 BCADLO C[C@@H](C(=O)NC1CC(C)C1)[NH+]1CCOCC1 ZINC000335752968 168143669 /nfs/dbraw/zinc/14/36/69/168143669.db2.gz FOQICSPWSIIGFG-YVNMAJEFSA-N 1 2 226.320 0.622 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355087730 168228889 /nfs/dbraw/zinc/22/88/89/168228889.db2.gz NBUHMMAYXPYVEQ-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355087730 168228890 /nfs/dbraw/zinc/22/88/90/168228890.db2.gz NBUHMMAYXPYVEQ-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1cc[nH]n1 ZINC000659919329 411382363 /nfs/dbraw/zinc/38/23/63/411382363.db2.gz BXPHJSPYEVAOCM-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1cc[nH]n1 ZINC000659919329 411382367 /nfs/dbraw/zinc/38/23/67/411382367.db2.gz BXPHJSPYEVAOCM-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)Cc1cc[nH]n1 ZINC000659919329 411382371 /nfs/dbraw/zinc/38/23/71/411382371.db2.gz BXPHJSPYEVAOCM-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)Cc1cc[nH]n1 ZINC000659919329 411382373 /nfs/dbraw/zinc/38/23/73/411382373.db2.gz BXPHJSPYEVAOCM-UHFFFAOYSA-N 1 2 206.253 0.202 20 0 BCADLO CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000011638267 168236076 /nfs/dbraw/zinc/23/60/76/168236076.db2.gz AYRCLQXPAPBROF-QMMMGPOBSA-N 1 2 225.248 0.020 20 0 BCADLO CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000011638267 168236079 /nfs/dbraw/zinc/23/60/79/168236079.db2.gz AYRCLQXPAPBROF-QMMMGPOBSA-N 1 2 225.248 0.020 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000092705852 168238293 /nfs/dbraw/zinc/23/82/93/168238293.db2.gz FZZSQJNPPMMFSP-SNVBAGLBSA-N 1 2 236.319 0.900 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092705852 168238295 /nfs/dbraw/zinc/23/82/95/168238295.db2.gz FZZSQJNPPMMFSP-SNVBAGLBSA-N 1 2 236.319 0.900 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000654849455 411455338 /nfs/dbraw/zinc/45/53/38/411455338.db2.gz MJIXCMUVNXOUAH-JLLWLGSASA-N 1 2 249.314 0.978 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000654849455 411455340 /nfs/dbraw/zinc/45/53/40/411455340.db2.gz MJIXCMUVNXOUAH-JLLWLGSASA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000654849456 411455410 /nfs/dbraw/zinc/45/54/10/411455410.db2.gz MJIXCMUVNXOUAH-ZMLRMANQSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000654849456 411455412 /nfs/dbraw/zinc/45/54/12/411455412.db2.gz MJIXCMUVNXOUAH-ZMLRMANQSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)O ZINC000654850729 411455490 /nfs/dbraw/zinc/45/54/90/411455490.db2.gz LXKGYJAHNQVFLL-VIFPVBQESA-N 1 2 228.336 0.604 20 0 BCADLO O=C(C[NH2+]Cc1cc2n(n1)CCC2)NC1CC1 ZINC000657306116 411458221 /nfs/dbraw/zinc/45/82/21/411458221.db2.gz YLVXWBJWGHJLGX-UHFFFAOYSA-N 1 2 234.303 0.198 20 0 BCADLO Cn1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)cn1 ZINC000070703355 411403208 /nfs/dbraw/zinc/40/32/08/411403208.db2.gz NUOBVUZJTZIBJJ-UHFFFAOYSA-N 1 2 248.330 0.474 20 0 BCADLO O=C1C[N@H+](CCOCc2ccccc2)CCN1 ZINC000659815927 411462002 /nfs/dbraw/zinc/46/20/02/411462002.db2.gz MIGVBNCKFSXEFM-UHFFFAOYSA-N 1 2 234.299 0.635 20 0 BCADLO O=C1C[N@@H+](CCOCc2ccccc2)CCN1 ZINC000659815927 411462005 /nfs/dbraw/zinc/46/20/05/411462005.db2.gz MIGVBNCKFSXEFM-UHFFFAOYSA-N 1 2 234.299 0.635 20 0 BCADLO Cc1[nH]ncc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659438464 411414281 /nfs/dbraw/zinc/41/42/81/411414281.db2.gz YBVLDZRIWMODMI-UHFFFAOYSA-N 1 2 249.318 0.351 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405070510 411415464 /nfs/dbraw/zinc/41/54/64/411415464.db2.gz GWDQZYMPHLXSHL-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO COC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405070510 411415466 /nfs/dbraw/zinc/41/54/66/411415466.db2.gz GWDQZYMPHLXSHL-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO CCSCC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189543533 411415863 /nfs/dbraw/zinc/41/58/63/411415863.db2.gz FCIPJQXQWJQLDE-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCSCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189543533 411415866 /nfs/dbraw/zinc/41/58/66/411415866.db2.gz FCIPJQXQWJQLDE-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660331826 411419085 /nfs/dbraw/zinc/41/90/85/411419085.db2.gz XYSHRKILUFYJSI-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660331826 411419089 /nfs/dbraw/zinc/41/90/89/411419089.db2.gz XYSHRKILUFYJSI-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1[nH+]ccn1C ZINC000267379053 411420980 /nfs/dbraw/zinc/42/09/80/411420980.db2.gz JYXXSFDJGLVLNN-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000269607828 411424305 /nfs/dbraw/zinc/42/43/05/411424305.db2.gz XYOAOYPMYFFJMU-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccncc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000269607828 411424308 /nfs/dbraw/zinc/42/43/08/411424308.db2.gz XYOAOYPMYFFJMU-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)(C)n1nnc(CCn2cc[nH+]c2)n1 ZINC000657255366 411428987 /nfs/dbraw/zinc/42/89/87/411428987.db2.gz KSZDVFNMBJLJAJ-UHFFFAOYSA-N 1 2 220.280 0.867 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCO ZINC000654911146 411463291 /nfs/dbraw/zinc/46/32/91/411463291.db2.gz MUDVAUQPAUZNQJ-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCO ZINC000654911146 411463293 /nfs/dbraw/zinc/46/32/93/411463293.db2.gz MUDVAUQPAUZNQJ-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)NC(N)=O ZINC000654757769 411440301 /nfs/dbraw/zinc/44/03/01/411440301.db2.gz JBQNWBNECFZISH-QMMMGPOBSA-N 1 2 236.275 0.197 20 0 BCADLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653615682 411440473 /nfs/dbraw/zinc/44/04/73/411440473.db2.gz UGSLZOKEECHMNM-DTWKUNHWSA-N 1 2 241.339 0.535 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000279287858 411446774 /nfs/dbraw/zinc/44/67/74/411446774.db2.gz YITIKSOYDLVLGF-NSHDSACASA-N 1 2 249.314 0.980 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657293800 411449826 /nfs/dbraw/zinc/44/98/26/411449826.db2.gz QCXRHPCTSRZIDK-ZJUUUORDSA-N 1 2 222.292 0.724 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657293800 411449829 /nfs/dbraw/zinc/44/98/29/411449829.db2.gz QCXRHPCTSRZIDK-ZJUUUORDSA-N 1 2 222.292 0.724 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632908 411452052 /nfs/dbraw/zinc/45/20/52/411452052.db2.gz HKCCQRDTMRLBHR-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000653632908 411452054 /nfs/dbraw/zinc/45/20/54/411452054.db2.gz HKCCQRDTMRLBHR-DTWKUNHWSA-N 1 2 248.273 0.215 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nccn1C(C)C ZINC000657292450 411453313 /nfs/dbraw/zinc/45/33/13/411453313.db2.gz OGTZUJWBMAMQKN-UHFFFAOYSA-N 1 2 224.308 0.690 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657292479 411453576 /nfs/dbraw/zinc/45/35/76/411453576.db2.gz KYXJCJZQEWCOIB-VIFPVBQESA-N 1 2 236.319 0.444 20 0 BCADLO CC[N@H+](Cc1cncs1)[C@H]1CCNC1=O ZINC000281833612 411454159 /nfs/dbraw/zinc/45/41/59/411454159.db2.gz SGNWKNMCULIZAD-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CC[N@@H+](Cc1cncs1)[C@H]1CCNC1=O ZINC000281833612 411454161 /nfs/dbraw/zinc/45/41/61/411454161.db2.gz SGNWKNMCULIZAD-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1=CC=NCC1=O ZINC000654972820 411468896 /nfs/dbraw/zinc/46/88/96/411468896.db2.gz MZYLHJNXEISHED-MRVPVSSYSA-N 1 2 246.270 0.750 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1=CC=NCC1=O ZINC000654972820 411468897 /nfs/dbraw/zinc/46/88/97/411468897.db2.gz MZYLHJNXEISHED-MRVPVSSYSA-N 1 2 246.270 0.750 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000659872499 411485038 /nfs/dbraw/zinc/48/50/38/411485038.db2.gz BAHGJQHLDSZLCW-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000659872499 411485040 /nfs/dbraw/zinc/48/50/40/411485040.db2.gz BAHGJQHLDSZLCW-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCCO[C@@H](C)C2)C1=O ZINC000659873452 411485298 /nfs/dbraw/zinc/48/52/98/411485298.db2.gz ILBVDXFJEQESDI-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCCO[C@@H](C)C2)C1=O ZINC000659873452 411485300 /nfs/dbraw/zinc/48/53/00/411485300.db2.gz ILBVDXFJEQESDI-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)CC2)sn1 ZINC000659879650 411488597 /nfs/dbraw/zinc/48/85/97/411488597.db2.gz WRTZVBQJDHWLOQ-UHFFFAOYSA-N 1 2 241.316 0.474 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)CC2)sn1 ZINC000659879650 411488598 /nfs/dbraw/zinc/48/85/98/411488598.db2.gz WRTZVBQJDHWLOQ-UHFFFAOYSA-N 1 2 241.316 0.474 20 0 BCADLO Cc1c[nH]c(C[NH2+]C2(C(=O)N(C)C)CC2)n1 ZINC000657490393 411533746 /nfs/dbraw/zinc/53/37/46/411533746.db2.gz IOFNFCCJKSOGBY-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1nc(NC[C@@H](CO)c2cccnc2)cc[nH+]1 ZINC000340930747 411501028 /nfs/dbraw/zinc/50/10/28/411501028.db2.gz CCAWPMRDBSZMFW-LBPRGKRZSA-N 1 2 244.298 1.368 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H]1C ZINC000655137549 411502511 /nfs/dbraw/zinc/50/25/11/411502511.db2.gz PYTXUFNTJVMNNO-IQJOONFLSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](O)[C@H]1C ZINC000655137549 411502512 /nfs/dbraw/zinc/50/25/12/411502512.db2.gz PYTXUFNTJVMNNO-IQJOONFLSA-N 1 2 237.303 0.570 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)CO1 ZINC000657422549 411503105 /nfs/dbraw/zinc/50/31/05/411503105.db2.gz XONBVTOAHPMFBQ-BDAKNGLRSA-N 1 2 210.281 0.472 20 0 BCADLO C[C@H](C[C@H](C)O)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657431671 411504631 /nfs/dbraw/zinc/50/46/31/411504631.db2.gz IDYHBDUBXGFDSX-BDAKNGLRSA-N 1 2 241.339 0.677 20 0 BCADLO C[C@H](CCO)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655167798 411508905 /nfs/dbraw/zinc/50/89/05/411508905.db2.gz UYJFEQVARRGASW-VHSXEESVSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](CCO)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655167798 411508908 /nfs/dbraw/zinc/50/89/08/411508908.db2.gz UYJFEQVARRGASW-VHSXEESVSA-N 1 2 239.319 0.818 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000659991547 411522834 /nfs/dbraw/zinc/52/28/34/411522834.db2.gz VDHYFGYHTAPCKB-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000659991547 411522837 /nfs/dbraw/zinc/52/28/37/411522837.db2.gz VDHYFGYHTAPCKB-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO C[C@H](CCCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655815043 411523550 /nfs/dbraw/zinc/52/35/50/411523550.db2.gz UAHCIBRJOALUJN-SECBINFHSA-N 1 2 241.339 0.679 20 0 BCADLO C[C@@H]1OCC[N@H+](CCc2c[nH]nn2)[C@H]1C ZINC000660011561 411527159 /nfs/dbraw/zinc/52/71/59/411527159.db2.gz OZLLPNJFXDTOFF-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1OCC[N@@H+](CCc2c[nH]nn2)[C@H]1C ZINC000660011561 411527162 /nfs/dbraw/zinc/52/71/62/411527162.db2.gz OZLLPNJFXDTOFF-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1OCC[N@H+](CCc2cn[nH]n2)[C@H]1C ZINC000660011561 411527165 /nfs/dbraw/zinc/52/71/65/411527165.db2.gz OZLLPNJFXDTOFF-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1OCC[N@@H+](CCc2cn[nH]n2)[C@H]1C ZINC000660011561 411527167 /nfs/dbraw/zinc/52/71/67/411527167.db2.gz OZLLPNJFXDTOFF-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000660008961 411527826 /nfs/dbraw/zinc/52/78/26/411527826.db2.gz IVKQPMWIDBFELT-MWLCHTKSSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000660008961 411527827 /nfs/dbraw/zinc/52/78/27/411527827.db2.gz IVKQPMWIDBFELT-MWLCHTKSSA-N 1 2 240.303 0.819 20 0 BCADLO c1n[nH]cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000657479805 411528171 /nfs/dbraw/zinc/52/81/71/411528171.db2.gz WEKLXIATTBCMEN-UHFFFAOYSA-N 1 2 218.264 0.695 20 0 BCADLO Cn1c[nH+]cc1CNCc1nnn(C(C)(C)C)n1 ZINC000655832453 411529301 /nfs/dbraw/zinc/52/93/01/411529301.db2.gz XTMUUXAWRJSRLF-UHFFFAOYSA-N 1 2 249.322 0.451 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000657484483 411529321 /nfs/dbraw/zinc/52/93/21/411529321.db2.gz LOGJGQQXFKTPEO-OCAPTIKFSA-N 1 2 225.296 0.041 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C(C)C ZINC000336574133 170001715 /nfs/dbraw/zinc/00/17/15/170001715.db2.gz IGCUASIUDNADCK-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C(C)C ZINC000336574133 170001718 /nfs/dbraw/zinc/00/17/18/170001718.db2.gz IGCUASIUDNADCK-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC1CC1 ZINC000377176068 170002174 /nfs/dbraw/zinc/00/21/74/170002174.db2.gz QXDHTFRULMKFQS-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC1CC1 ZINC000377176068 170002175 /nfs/dbraw/zinc/00/21/75/170002175.db2.gz QXDHTFRULMKFQS-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2cnns2)C1 ZINC000356780527 170006349 /nfs/dbraw/zinc/00/63/49/170006349.db2.gz RPSGUNBJEAPNNY-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2cnns2)C1 ZINC000356780527 170006350 /nfs/dbraw/zinc/00/63/50/170006350.db2.gz RPSGUNBJEAPNNY-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO COC[C@@H](C[N@@H+]1CCc2c[nH]nc2C1)OC ZINC000660119805 411539809 /nfs/dbraw/zinc/53/98/09/411539809.db2.gz XVGZKKCUXFYKFQ-SNVBAGLBSA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@@H](C[N@H+]1CCc2c[nH]nc2C1)OC ZINC000660119805 411539810 /nfs/dbraw/zinc/53/98/10/411539810.db2.gz XVGZKKCUXFYKFQ-SNVBAGLBSA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)OC ZINC000660119805 411539811 /nfs/dbraw/zinc/53/98/11/411539811.db2.gz XVGZKKCUXFYKFQ-SNVBAGLBSA-N 1 2 225.292 0.429 20 0 BCADLO COC[C@@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000660119805 411539812 /nfs/dbraw/zinc/53/98/12/411539812.db2.gz XVGZKKCUXFYKFQ-SNVBAGLBSA-N 1 2 225.292 0.429 20 0 BCADLO CCNC(=O)C1CN(c2cc(C)[nH+]cn2)C1 ZINC000301535348 170043756 /nfs/dbraw/zinc/04/37/56/170043756.db2.gz ACHNVNLQNVYDEG-UHFFFAOYSA-N 1 2 220.276 0.357 20 0 BCADLO CCc1nc(C[NH2+][C@H]2CCNC2=O)cs1 ZINC000657524684 411541976 /nfs/dbraw/zinc/54/19/76/411541976.db2.gz NEWGTNJROCXRRG-QMMMGPOBSA-N 1 2 225.317 0.684 20 0 BCADLO CCNC(=O)CN(CC)c1cc(C)[nH+]cn1 ZINC000301570094 170057897 /nfs/dbraw/zinc/05/78/97/170057897.db2.gz LRBWUPCGKOUELA-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330543916 170061024 /nfs/dbraw/zinc/06/10/24/170061024.db2.gz UAHHTQLEHPNYIG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330543916 170061026 /nfs/dbraw/zinc/06/10/26/170061026.db2.gz UAHHTQLEHPNYIG-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000336650588 170064348 /nfs/dbraw/zinc/06/43/48/170064348.db2.gz HMJMUGJAVONVSA-UHFFFAOYSA-N 1 2 225.296 0.085 20 0 BCADLO CCN1OC[C@H](N(C)Cc2[nH+]ccn2C)C1=O ZINC000660135188 411543082 /nfs/dbraw/zinc/54/30/82/411543082.db2.gz CNBMSGUZMYLNTN-VIFPVBQESA-N 1 2 238.291 0.014 20 0 BCADLO CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178461523 170072083 /nfs/dbraw/zinc/07/20/83/170072083.db2.gz VKMQLWBVBZDKTA-UHFFFAOYSA-N 1 2 210.281 0.935 20 0 BCADLO CCNC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539131 170075261 /nfs/dbraw/zinc/07/52/61/170075261.db2.gz GJYHXEPBEMRBAK-UHFFFAOYSA-N 1 2 208.265 0.508 20 0 BCADLO CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000048729104 170081281 /nfs/dbraw/zinc/08/12/81/170081281.db2.gz YEMDYJPXNNWOIZ-UHFFFAOYSA-N 1 2 222.292 0.967 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cscn1 ZINC000040421089 170088515 /nfs/dbraw/zinc/08/85/15/170088515.db2.gz GHXNVCRZKXMETI-SSDOTTSWSA-N 1 2 213.306 0.757 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000290028460 170095011 /nfs/dbraw/zinc/09/50/11/170095011.db2.gz VPQZJBJFSHSHBU-QMMMGPOBSA-N 1 2 210.281 0.332 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000049217241 170095568 /nfs/dbraw/zinc/09/55/68/170095568.db2.gz XQWCFJXXOIDRTC-QMMMGPOBSA-N 1 2 208.265 0.722 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660143653 411544583 /nfs/dbraw/zinc/54/45/83/411544583.db2.gz YQPAATNHQNFNDF-JTQLQIEISA-N 1 2 227.308 0.629 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660143653 411544584 /nfs/dbraw/zinc/54/45/84/411544584.db2.gz YQPAATNHQNFNDF-JTQLQIEISA-N 1 2 227.308 0.629 20 0 BCADLO CC(C)NS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660099549 411537542 /nfs/dbraw/zinc/53/75/42/411537542.db2.gz HDLFKOUOQBEHFA-MRVPVSSYSA-N 1 2 246.336 0.314 20 0 BCADLO CCNS(=O)(=O)NCCc1[nH+]cccc1C ZINC000296137467 170135550 /nfs/dbraw/zinc/13/55/50/170135550.db2.gz RTFBOFSBDMDNNN-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO O=C1C[C@H](C[N@H+]2CCC(F)(F)C2)CN1 ZINC000660216060 411554564 /nfs/dbraw/zinc/55/45/64/411554564.db2.gz UQHNHNFNJANNJM-ZETCQYMHSA-N 1 2 204.220 0.464 20 0 BCADLO O=C1C[C@H](C[N@@H+]2CCC(F)(F)C2)CN1 ZINC000660216060 411554566 /nfs/dbraw/zinc/55/45/66/411554566.db2.gz UQHNHNFNJANNJM-ZETCQYMHSA-N 1 2 204.220 0.464 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660144759 411545326 /nfs/dbraw/zinc/54/53/26/411545326.db2.gz YPMDNGLOFXDIGJ-VIFPVBQESA-N 1 2 213.281 0.239 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660144759 411545327 /nfs/dbraw/zinc/54/53/27/411545327.db2.gz YPMDNGLOFXDIGJ-VIFPVBQESA-N 1 2 213.281 0.239 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1cc[nH]n1 ZINC000660156490 411547991 /nfs/dbraw/zinc/54/79/91/411547991.db2.gz QZEUAALKRLLIQB-VIFPVBQESA-N 1 2 213.306 0.319 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1cc[nH]n1 ZINC000660156490 411547992 /nfs/dbraw/zinc/54/79/92/411547992.db2.gz QZEUAALKRLLIQB-VIFPVBQESA-N 1 2 213.306 0.319 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCc1ccnn1C ZINC000284583056 170186920 /nfs/dbraw/zinc/18/69/20/170186920.db2.gz ZRQBWVQCHXFKIG-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CCOC(=O)C(C)(C)NCc1[nH+]ccn1C ZINC000121539327 170187358 /nfs/dbraw/zinc/18/73/58/170187358.db2.gz RUIOBRKEISVVKK-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)NCC1(C)C ZINC000337428706 170200748 /nfs/dbraw/zinc/20/07/48/170200748.db2.gz UECYYLUUWUUEDJ-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)NCC1(C)C ZINC000337428706 170200749 /nfs/dbraw/zinc/20/07/49/170200749.db2.gz UECYYLUUWUUEDJ-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000376648993 170206877 /nfs/dbraw/zinc/20/68/77/170206877.db2.gz OMMOEBMTXLWGGT-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000376648993 170206878 /nfs/dbraw/zinc/20/68/78/170206878.db2.gz OMMOEBMTXLWGGT-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362070052 170207505 /nfs/dbraw/zinc/20/75/05/170207505.db2.gz VZNJXFYDWDCSLL-ORMTXKICSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362070052 170207506 /nfs/dbraw/zinc/20/75/06/170207506.db2.gz VZNJXFYDWDCSLL-ORMTXKICSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[NH2+]C(C)(C)C(=O)OC ZINC000118002779 170208805 /nfs/dbraw/zinc/20/88/05/170208805.db2.gz AAZJXJNQNNAPFB-UHFFFAOYSA-N 1 2 217.265 0.481 20 0 BCADLO CCOC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000128595701 170214941 /nfs/dbraw/zinc/21/49/41/170214941.db2.gz ORYHXLDTQLNSCM-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000128595701 170214943 /nfs/dbraw/zinc/21/49/43/170214943.db2.gz ORYHXLDTQLNSCM-UHFFFAOYSA-N 1 2 213.277 0.828 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000134160027 170218638 /nfs/dbraw/zinc/21/86/38/170218638.db2.gz HBEVHPLHYITFOT-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000134160027 170218639 /nfs/dbraw/zinc/21/86/39/170218639.db2.gz HBEVHPLHYITFOT-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000108148318 170219826 /nfs/dbraw/zinc/21/98/26/170219826.db2.gz QTUMLEFTFJBXCM-JTQLQIEISA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000108148318 170219827 /nfs/dbraw/zinc/21/98/27/170219827.db2.gz QTUMLEFTFJBXCM-JTQLQIEISA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@@H+]1CCOCC[C@H]1C ZINC000367661596 170220282 /nfs/dbraw/zinc/22/02/82/170220282.db2.gz MDNFPPNZHWKVLE-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCOCC[C@H]1C ZINC000367661596 170220283 /nfs/dbraw/zinc/22/02/83/170220283.db2.gz MDNFPPNZHWKVLE-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370234111 170220662 /nfs/dbraw/zinc/22/06/62/170220662.db2.gz WFTQBTRELGFLLT-VHSXEESVSA-N 1 2 213.277 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370234111 170220663 /nfs/dbraw/zinc/22/06/63/170220663.db2.gz WFTQBTRELGFLLT-VHSXEESVSA-N 1 2 213.277 0.660 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000049075969 170225992 /nfs/dbraw/zinc/22/59/92/170225992.db2.gz QNVKVESAAKTUIS-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000309650945 170226236 /nfs/dbraw/zinc/22/62/36/170226236.db2.gz OCGWDXMPOHWYGN-DTWKUNHWSA-N 1 2 228.292 0.054 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000308189107 170226655 /nfs/dbraw/zinc/22/66/55/170226655.db2.gz MHFHYJXFCKAHFU-HTQZYQBOSA-N 1 2 203.307 0.891 20 0 BCADLO CCOC(=O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000336675725 170226940 /nfs/dbraw/zinc/22/69/40/170226940.db2.gz BCSISBDUNUBIJZ-LLVKDONJSA-N 1 2 231.292 0.335 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000300885764 170227110 /nfs/dbraw/zinc/22/71/10/170227110.db2.gz SSRHARKNYQUFSO-BDAKNGLRSA-N 1 2 201.266 0.564 20 0 BCADLO CCOC(=O)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000339269777 170231257 /nfs/dbraw/zinc/23/12/57/170231257.db2.gz KIEGUGAERZMHHH-SSDOTTSWSA-N 1 2 239.275 0.790 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C ZINC000355036621 170247705 /nfs/dbraw/zinc/24/77/05/170247705.db2.gz XCIIKACAZUJDEG-SECBINFHSA-N 1 2 245.323 0.141 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000355036621 170247706 /nfs/dbraw/zinc/24/77/06/170247706.db2.gz XCIIKACAZUJDEG-SECBINFHSA-N 1 2 245.323 0.141 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510858 170250054 /nfs/dbraw/zinc/25/00/54/170250054.db2.gz DYTJQOGSXYBLFO-DTWKUNHWSA-N 1 2 243.307 0.485 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510858 170250056 /nfs/dbraw/zinc/25/00/56/170250056.db2.gz DYTJQOGSXYBLFO-DTWKUNHWSA-N 1 2 243.307 0.485 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000657610324 411562306 /nfs/dbraw/zinc/56/23/06/411562306.db2.gz ZGRBRONQTBDMGD-IWSPIJDZSA-N 1 2 240.307 0.607 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)[nH]1 ZINC000657610324 411562307 /nfs/dbraw/zinc/56/23/07/411562307.db2.gz ZGRBRONQTBDMGD-IWSPIJDZSA-N 1 2 240.307 0.607 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2cn[nH]c2)C1=O ZINC000660274042 411563153 /nfs/dbraw/zinc/56/31/53/411563153.db2.gz MDPDUSFUKBGJEP-VXNVDRBHSA-N 1 2 224.264 0.223 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+]2CCn3c(n[nH]c3=O)C2)CCO1 ZINC000660277300 411563625 /nfs/dbraw/zinc/56/36/25/411563625.db2.gz KWHYNVOTOHMMPP-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO C[C@@H]1C[C@H]([N@H+]2CCn3c(n[nH]c3=O)C2)CCO1 ZINC000660277300 411563627 /nfs/dbraw/zinc/56/36/27/411563627.db2.gz KWHYNVOTOHMMPP-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+]2CCN3C(=O)N=NC3C2)CCO1 ZINC000660277300 411563628 /nfs/dbraw/zinc/56/36/28/411563628.db2.gz KWHYNVOTOHMMPP-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO C[C@@H]1C[C@H]([N@H+]2CCN3C(=O)N=NC3C2)CCO1 ZINC000660277300 411563630 /nfs/dbraw/zinc/56/36/30/411563630.db2.gz KWHYNVOTOHMMPP-RKDXNWHRSA-N 1 2 238.291 0.367 20 0 BCADLO CCOC(=O)[C@](C)(O)CNc1cccc[nH+]1 ZINC000336780494 170284530 /nfs/dbraw/zinc/28/45/30/170284530.db2.gz RMTCWTQTGDOSRI-LLVKDONJSA-N 1 2 224.260 0.808 20 0 BCADLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccco1 ZINC000657605094 411564002 /nfs/dbraw/zinc/56/40/02/411564002.db2.gz QYWKQCXJJOKDPZ-UWVGGRQHSA-N 1 2 245.300 0.181 20 0 BCADLO COC[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000660370876 411573531 /nfs/dbraw/zinc/57/35/31/411573531.db2.gz GFSOPGGUQRJLTF-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO COC[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000660370876 411573532 /nfs/dbraw/zinc/57/35/32/411573532.db2.gz GFSOPGGUQRJLTF-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC1CC([NH2+][C@H](C(=O)OC)[C@H](C)O)C1 ZINC000309989168 170330428 /nfs/dbraw/zinc/33/04/28/170330428.db2.gz ZPYGNIZVERIGMM-NFTFJBJSSA-N 1 2 231.292 0.066 20 0 BCADLO CCOC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000294913520 170333293 /nfs/dbraw/zinc/33/32/93/170333293.db2.gz QNDFLAGRXFIRDH-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO CCOC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000295073979 170333331 /nfs/dbraw/zinc/33/33/31/170333331.db2.gz YYBVOSBEMYDSCY-UHFFFAOYSA-N 1 2 223.276 0.508 20 0 BCADLO CCOC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000341187441 170333608 /nfs/dbraw/zinc/33/36/08/170333608.db2.gz MBKNVXAYEHZDEO-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO CCOCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355089001 170360241 /nfs/dbraw/zinc/36/02/41/170360241.db2.gz PJLGOAZNAWQHBN-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355089001 170360243 /nfs/dbraw/zinc/36/02/43/170360243.db2.gz PJLGOAZNAWQHBN-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000128725517 170360249 /nfs/dbraw/zinc/36/02/49/170360249.db2.gz PFUIYZPYTYYLBU-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO CCOCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263990127 170361141 /nfs/dbraw/zinc/36/11/41/170361141.db2.gz NCPACTUIKVZBPL-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000660321038 411569090 /nfs/dbraw/zinc/56/90/90/411569090.db2.gz AXLRCKMFSXCPBM-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000660321038 411569092 /nfs/dbraw/zinc/56/90/92/411569092.db2.gz AXLRCKMFSXCPBM-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO CCOCCCNC(=O)CCc1c[nH+]cn1C ZINC000276686544 170376273 /nfs/dbraw/zinc/37/62/73/170376273.db2.gz PMUTXIJPMBXKDE-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO CCOCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264693499 170378988 /nfs/dbraw/zinc/37/89/88/170378988.db2.gz MMYJLXYBTSHOSY-UHFFFAOYSA-N 1 2 211.265 0.875 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cocn2)CS1(=O)=O ZINC000657640466 411569521 /nfs/dbraw/zinc/56/95/21/411569521.db2.gz XJUBQWGVAKEDGL-RKDXNWHRSA-N 1 2 244.316 0.730 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1cn(C)c[nH+]1 ZINC000660331163 411570002 /nfs/dbraw/zinc/57/00/02/411570002.db2.gz QFUXXGGMJGLADG-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO CCOCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000283410367 170386994 /nfs/dbraw/zinc/38/69/94/170386994.db2.gz YSTLZHOCJYGJEL-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO Cc1c(NC[C@@H](C)O)nc[nH+]c1NC[C@H](C)O ZINC000663315543 411623289 /nfs/dbraw/zinc/62/32/89/411623289.db2.gz LANNPKJEJMXIBB-OCAPTIKFSA-N 1 2 240.307 0.370 20 0 BCADLO Cc1c(NC[C@H](C)O)nc[nH+]c1NC[C@@H](C)O ZINC000663315543 411623291 /nfs/dbraw/zinc/62/32/91/411623291.db2.gz LANNPKJEJMXIBB-OCAPTIKFSA-N 1 2 240.307 0.370 20 0 BCADLO O=C(Nc1ccon1)N1CCn2c[nH+]cc2C1 ZINC000329791039 411623380 /nfs/dbraw/zinc/62/33/80/411623380.db2.gz UGYOSQOZNGVRLG-UHFFFAOYSA-N 1 2 233.231 0.919 20 0 BCADLO CCOCC[N@H+](CC)Cc1cn(C)nn1 ZINC000341629500 170396300 /nfs/dbraw/zinc/39/63/00/170396300.db2.gz YLDBNJLKDLJPFE-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000341629500 170396302 /nfs/dbraw/zinc/39/63/02/170396302.db2.gz YLDBNJLKDLJPFE-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](C)C1=O ZINC000663326862 411624874 /nfs/dbraw/zinc/62/48/74/411624874.db2.gz DPRGUVOYOKFIMR-BQBZGAKWSA-N 1 2 222.248 0.421 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](C2CC2)C1=O ZINC000663328104 411626437 /nfs/dbraw/zinc/62/64/37/411626437.db2.gz OVZCBSCLJOPPLM-APPZFPTMSA-N 1 2 248.286 0.812 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc(C)oc1C ZINC000660780840 411628851 /nfs/dbraw/zinc/62/88/51/411628851.db2.gz VLNFJNVMTCLOON-WDEREUQCSA-N 1 2 226.276 0.795 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nnc(C)s1 ZINC000660779561 411629250 /nfs/dbraw/zinc/62/92/50/411629250.db2.gz DLSKNCMQPZPMIS-JGVFFNPUSA-N 1 2 229.305 0.350 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000660780893 411629666 /nfs/dbraw/zinc/62/96/66/411629666.db2.gz XDRXDCJEYJLMHI-VHSXEESVSA-N 1 2 212.249 0.486 20 0 BCADLO C[C@H]1[C@H](CO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660810892 411641874 /nfs/dbraw/zinc/64/18/74/411641874.db2.gz GEFUUJPFOKKHIV-UWVGGRQHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@H]1[C@H](CO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660810892 411641876 /nfs/dbraw/zinc/64/18/76/411641876.db2.gz GEFUUJPFOKKHIV-UWVGGRQHSA-N 1 2 224.308 0.440 20 0 BCADLO COC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000374570544 411642363 /nfs/dbraw/zinc/64/23/63/411642363.db2.gz MOAXNEJHCTVNJE-JTQLQIEISA-N 1 2 248.286 0.687 20 0 BCADLO COC[C@@](C)(O)CCNc1cc[nH+]c(C)n1 ZINC000450586222 411644897 /nfs/dbraw/zinc/64/48/97/411644897.db2.gz BQBIJDYBDIXLAM-NSHDSACASA-N 1 2 225.292 0.984 20 0 BCADLO CCOC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339168564 170430376 /nfs/dbraw/zinc/43/03/76/170430376.db2.gz WUKWYCUXXBSCQN-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO O[C@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)CC(F)(F)C1 ZINC000660391196 411578246 /nfs/dbraw/zinc/57/82/46/411578246.db2.gz GDDOMZBZOKJCAS-OPRDCNLKSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@H]1C[N@H+]([C@@H]2CCCC[C@H]2O)CC(F)(F)C1 ZINC000660391196 411578247 /nfs/dbraw/zinc/57/82/47/411578247.db2.gz GDDOMZBZOKJCAS-OPRDCNLKSA-N 1 2 235.274 0.992 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)co1 ZINC000660396123 411578946 /nfs/dbraw/zinc/57/89/46/411578946.db2.gz NNPGXLROWCITEX-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)co1 ZINC000660396123 411578947 /nfs/dbraw/zinc/57/89/47/411578947.db2.gz NNPGXLROWCITEX-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO O=c1[nH]ccc2c1C[N@H+](CCc1cnn[nH]1)CC2 ZINC000660410558 411580369 /nfs/dbraw/zinc/58/03/69/411580369.db2.gz FRYKHISVJQXAPN-UHFFFAOYSA-N 1 2 245.286 0.506 20 0 BCADLO O=c1[nH]ccc2c1C[N@@H+](CCc1cnn[nH]1)CC2 ZINC000660410558 411580370 /nfs/dbraw/zinc/58/03/70/411580370.db2.gz FRYKHISVJQXAPN-UHFFFAOYSA-N 1 2 245.286 0.506 20 0 BCADLO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)on1 ZINC000660408426 411580766 /nfs/dbraw/zinc/58/07/66/411580766.db2.gz MPFVJTZXMOUNJU-AOOOYVTPSA-N 1 2 242.275 0.529 20 0 BCADLO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)on1 ZINC000660408426 411580767 /nfs/dbraw/zinc/58/07/67/411580767.db2.gz MPFVJTZXMOUNJU-AOOOYVTPSA-N 1 2 242.275 0.529 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@@H]1OC ZINC000660408591 411580787 /nfs/dbraw/zinc/58/07/87/411580787.db2.gz OFRYBRMRWCNSPA-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@@H]1OC ZINC000660408591 411580789 /nfs/dbraw/zinc/58/07/89/411580789.db2.gz OFRYBRMRWCNSPA-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO C[NH+](C)[C@H]1CCC[N@H+](CCc2cn[nH]n2)CC1 ZINC000660415209 411582165 /nfs/dbraw/zinc/58/21/65/411582165.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 1 2 237.351 0.763 20 0 BCADLO Cc1cncc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000657712141 411585822 /nfs/dbraw/zinc/58/58/22/411585822.db2.gz NCSINACUMWYJEF-UHFFFAOYSA-N 1 2 217.276 0.840 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N(C3CC3)C2)c1 ZINC000660444144 411585851 /nfs/dbraw/zinc/58/58/51/411585851.db2.gz MAAZBOSCEMPDQB-UHFFFAOYSA-N 1 2 220.276 0.184 20 0 BCADLO Cc1nc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)co1 ZINC000660457220 411588035 /nfs/dbraw/zinc/58/80/35/411588035.db2.gz KJTDULTXDJWULJ-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)co1 ZINC000660457220 411588036 /nfs/dbraw/zinc/58/80/36/411588036.db2.gz KJTDULTXDJWULJ-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO FC(F)C[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660545877 411597662 /nfs/dbraw/zinc/59/76/62/411597662.db2.gz ANVPGBWBDNBLNY-VIFPVBQESA-N 1 2 246.261 0.703 20 0 BCADLO FC(F)C[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660545877 411597663 /nfs/dbraw/zinc/59/76/63/411597663.db2.gz ANVPGBWBDNBLNY-VIFPVBQESA-N 1 2 246.261 0.703 20 0 BCADLO Cc1nc(C[NH2+][C@](C)(C(N)=O)C(C)C)co1 ZINC000660543091 411597692 /nfs/dbraw/zinc/59/76/92/411597692.db2.gz ZZMLRAWTBWZGFN-NSHDSACASA-N 1 2 225.292 0.973 20 0 BCADLO CC(C)=CCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000660589118 411604590 /nfs/dbraw/zinc/60/45/90/411604590.db2.gz FTJIUIKYTOELCQ-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO CC(C)=CCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000660589118 411604591 /nfs/dbraw/zinc/60/45/91/411604591.db2.gz FTJIUIKYTOELCQ-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO CC(C)[N@H+](CCc1c[nH]nn1)C1COC1 ZINC000660648921 411612342 /nfs/dbraw/zinc/61/23/42/411612342.db2.gz ZLKJJLDIOTVHQU-UHFFFAOYSA-N 1 2 210.281 0.456 20 0 BCADLO CC(C)[N@@H+](CCc1c[nH]nn1)C1COC1 ZINC000660648921 411612344 /nfs/dbraw/zinc/61/23/44/411612344.db2.gz ZLKJJLDIOTVHQU-UHFFFAOYSA-N 1 2 210.281 0.456 20 0 BCADLO COc1cc(C[N@H+](C)C(C)(C)C(N)=O)sn1 ZINC000660647564 411612536 /nfs/dbraw/zinc/61/25/36/411612536.db2.gz MNNORYHSHBYZQC-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO COc1cc(C[N@@H+](C)C(C)(C)C(N)=O)sn1 ZINC000660647564 411612537 /nfs/dbraw/zinc/61/25/37/411612537.db2.gz MNNORYHSHBYZQC-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000660670653 411616470 /nfs/dbraw/zinc/61/64/70/411616470.db2.gz YWHUVVLHDNBYBG-SNVBAGLBSA-N 1 2 238.287 0.745 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000660670653 411616471 /nfs/dbraw/zinc/61/64/71/411616471.db2.gz YWHUVVLHDNBYBG-SNVBAGLBSA-N 1 2 238.287 0.745 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCOCCF ZINC000660704220 411618316 /nfs/dbraw/zinc/61/83/16/411618316.db2.gz DGEYIXCQILYPKP-UHFFFAOYSA-N 1 2 244.270 0.205 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1coc(C)n1 ZINC000660767648 411622897 /nfs/dbraw/zinc/62/28/97/411622897.db2.gz UQHDXJJHORSBCE-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO c1cncc(CNc2nc[nH+]c3c2OCCN3)c1 ZINC000647845189 411706180 /nfs/dbraw/zinc/70/61/80/411706180.db2.gz UREUPGDZAZSHIQ-UHFFFAOYSA-N 1 2 243.270 1.288 20 0 BCADLO c1cncc(CNc2[nH+]cnc3c2OCCN3)c1 ZINC000647845189 411706183 /nfs/dbraw/zinc/70/61/83/411706183.db2.gz UREUPGDZAZSHIQ-UHFFFAOYSA-N 1 2 243.270 1.288 20 0 BCADLO c1nc(NC[C@@H]2CCCO2)c2c([nH+]1)NCCO2 ZINC000647844503 411706363 /nfs/dbraw/zinc/70/63/63/411706363.db2.gz HMPQFYUTVGDKIM-QMMMGPOBSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc2c(c(NC[C@@H]3CCCO3)[nH+]1)OCCN2 ZINC000647844503 411706365 /nfs/dbraw/zinc/70/63/65/411706365.db2.gz HMPQFYUTVGDKIM-QMMMGPOBSA-N 1 2 236.275 0.872 20 0 BCADLO CCO[C@H]1C[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000562533819 411715086 /nfs/dbraw/zinc/71/50/86/411715086.db2.gz ZNPWQRIWFIGYCT-IUCAKERBSA-N 1 2 237.307 0.835 20 0 BCADLO CCO[C@H]1C[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000562533819 411715089 /nfs/dbraw/zinc/71/50/89/411715089.db2.gz ZNPWQRIWFIGYCT-IUCAKERBSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1cc(NCC[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000381538086 411649700 /nfs/dbraw/zinc/64/97/00/411649700.db2.gz GLJVBYYQSOMBFL-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BCADLO Cc1cc(NC[C@@H]2CC[C@H](CO)O2)nc[nH+]1 ZINC000348226087 411649720 /nfs/dbraw/zinc/64/97/20/411649720.db2.gz UAFSMYBWDBJPAP-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NC[C@@](C)(O)CO)nc(C2CC2)[nH+]1 ZINC000360125296 411650208 /nfs/dbraw/zinc/65/02/08/411650208.db2.gz XKDUQJHCEOARCC-GFCCVEGCSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846315 411656299 /nfs/dbraw/zinc/65/62/99/411656299.db2.gz YOFPWRITAGHRDR-YUMQZZPRSA-N 1 2 227.264 0.775 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846315 411656305 /nfs/dbraw/zinc/65/63/05/411656305.db2.gz YOFPWRITAGHRDR-YUMQZZPRSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@H+](CCc1cncs1)Cc1n[nH]c(=O)o1 ZINC000660844647 411656884 /nfs/dbraw/zinc/65/68/84/411656884.db2.gz RRPCWCYCPRBGOA-UHFFFAOYSA-N 1 2 240.288 0.906 20 0 BCADLO C[N@@H+](CCc1cncs1)Cc1n[nH]c(=O)o1 ZINC000660844647 411656889 /nfs/dbraw/zinc/65/68/89/411656889.db2.gz RRPCWCYCPRBGOA-UHFFFAOYSA-N 1 2 240.288 0.906 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(CO)cc1 ZINC000660845494 411657385 /nfs/dbraw/zinc/65/73/85/411657385.db2.gz QHIMYIBLGDONSQ-UHFFFAOYSA-N 1 2 249.270 0.900 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(CO)cc1 ZINC000660845494 411657390 /nfs/dbraw/zinc/65/73/90/411657390.db2.gz QHIMYIBLGDONSQ-UHFFFAOYSA-N 1 2 249.270 0.900 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000660897628 411663449 /nfs/dbraw/zinc/66/34/49/411663449.db2.gz CKPGBYSKHHTWNX-UHFFFAOYSA-N 1 2 235.287 0.859 20 0 BCADLO CCc1nnc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)[nH]1 ZINC000660897698 411664371 /nfs/dbraw/zinc/66/43/71/411664371.db2.gz DGFDSNFAHGCYOH-ZETCQYMHSA-N 1 2 237.307 0.235 20 0 BCADLO COc1cc(C[N@H+](C)CCNC(C)=O)sn1 ZINC000660904183 411666807 /nfs/dbraw/zinc/66/68/07/411666807.db2.gz RAOIYHQXMZKVDP-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO COc1cc(C[N@@H+](C)CCNC(C)=O)sn1 ZINC000660904183 411666810 /nfs/dbraw/zinc/66/68/10/411666810.db2.gz RAOIYHQXMZKVDP-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO CCOC(=O)COCCNc1cc(C)[nH+]cn1 ZINC000450707753 411668542 /nfs/dbraw/zinc/66/85/42/411668542.db2.gz IIYABAQRFABUBL-UHFFFAOYSA-N 1 2 239.275 0.777 20 0 BCADLO O=C1CCCN1CCNc1cc[nH+]c(C2CC2)n1 ZINC000566014102 411672007 /nfs/dbraw/zinc/67/20/07/411672007.db2.gz PQTZHBOHSPPPGB-UHFFFAOYSA-N 1 2 246.314 1.388 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1=O ZINC000660921981 411675297 /nfs/dbraw/zinc/67/52/97/411675297.db2.gz GCFVYBHLCVRFBO-WCBMZHEXSA-N 1 2 246.257 0.880 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)C1=O ZINC000660921981 411675302 /nfs/dbraw/zinc/67/53/02/411675302.db2.gz GCFVYBHLCVRFBO-WCBMZHEXSA-N 1 2 246.257 0.880 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCc2c[nH]nn2)n1 ZINC000660926711 411676477 /nfs/dbraw/zinc/67/64/77/411676477.db2.gz RBRAOBQJPPYDGC-ZETCQYMHSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCc2c[nH]nn2)n1 ZINC000660926711 411676481 /nfs/dbraw/zinc/67/64/81/411676481.db2.gz RBRAOBQJPPYDGC-ZETCQYMHSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCc2cn[nH]n2)n1 ZINC000660926711 411676486 /nfs/dbraw/zinc/67/64/86/411676486.db2.gz RBRAOBQJPPYDGC-ZETCQYMHSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCc2cn[nH]n2)n1 ZINC000660926711 411676490 /nfs/dbraw/zinc/67/64/90/411676490.db2.gz RBRAOBQJPPYDGC-ZETCQYMHSA-N 1 2 236.279 0.732 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000624729726 411680166 /nfs/dbraw/zinc/68/01/66/411680166.db2.gz GNLWXOPHSHKEGQ-KNVOCYPGSA-N 1 2 248.290 0.535 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1NCCO ZINC000584665183 411680223 /nfs/dbraw/zinc/68/02/23/411680223.db2.gz CLDDTHKDSPNVIY-UHFFFAOYSA-N 1 2 223.276 1.075 20 0 BCADLO CC(C)OCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661020069 411691513 /nfs/dbraw/zinc/69/15/13/411691513.db2.gz PTKYVDRCWNWHGC-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO CC(C)OCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661020069 411691519 /nfs/dbraw/zinc/69/15/19/411691519.db2.gz PTKYVDRCWNWHGC-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661055717 411694972 /nfs/dbraw/zinc/69/49/72/411694972.db2.gz PMTNSEAEXWXCGB-IUCAKERBSA-N 1 2 240.307 0.975 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661055717 411694977 /nfs/dbraw/zinc/69/49/77/411694977.db2.gz PMTNSEAEXWXCGB-IUCAKERBSA-N 1 2 240.307 0.975 20 0 BCADLO CC(C)COC[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661086025 411696861 /nfs/dbraw/zinc/69/68/61/411696861.db2.gz UAZGAUFNAMZENS-GFCCVEGCSA-N 1 2 241.335 0.875 20 0 BCADLO CC(C)COC[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661086025 411696862 /nfs/dbraw/zinc/69/68/62/411696862.db2.gz UAZGAUFNAMZENS-GFCCVEGCSA-N 1 2 241.335 0.875 20 0 BCADLO CC[C@@H](CNc1cc(C)[nH+]cn1)C(=O)OC ZINC000591972290 411729081 /nfs/dbraw/zinc/72/90/81/411729081.db2.gz CAEDKUUOZPZLON-VIFPVBQESA-N 1 2 223.276 1.396 20 0 BCADLO CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@H](C)O ZINC000450786423 411730920 /nfs/dbraw/zinc/73/09/20/411730920.db2.gz AJVRYYWXULESSN-IONNQARKSA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@H](C)O ZINC000450786423 411730924 /nfs/dbraw/zinc/73/09/24/411730924.db2.gz AJVRYYWXULESSN-IONNQARKSA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@@H](Nc1nccn2nnnc12)c1[nH]cc[nH+]1 ZINC000580610519 411731162 /nfs/dbraw/zinc/73/11/62/411731162.db2.gz UKJZZRTYOHXURO-SSDOTTSWSA-N 1 2 244.262 0.806 20 0 BCADLO CC[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000336755859 411733470 /nfs/dbraw/zinc/73/34/70/411733470.db2.gz GQFKDYPJIIHKGV-MRVPVSSYSA-N 1 2 220.276 1.449 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCNC(=O)C(C)C ZINC000582271590 411734694 /nfs/dbraw/zinc/73/46/94/411734694.db2.gz FRRMBMNRKSYJAC-UHFFFAOYSA-N 1 2 236.319 1.278 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](O)[C@H]1CCOC1 ZINC000567521287 411735118 /nfs/dbraw/zinc/73/51/18/411735118.db2.gz XXGNVNGNRWCDNX-QWRGUYRKSA-N 1 2 237.303 0.903 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1cccnn1 ZINC000569988717 411737606 /nfs/dbraw/zinc/73/76/06/411737606.db2.gz VGXNLMNSOMIPLK-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1nccn1C ZINC000577410924 411738376 /nfs/dbraw/zinc/73/83/76/411738376.db2.gz DYMLHEAPJULNFL-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BCADLO Cc1c[nH+]ccc1CCNc1nccc(CO)n1 ZINC000341659447 411741330 /nfs/dbraw/zinc/74/13/30/411741330.db2.gz XSUSNWUYUBTYMD-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BCADLO CC[C@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000420651280 411744829 /nfs/dbraw/zinc/74/48/29/411744829.db2.gz JIAGRMNSNPIJAL-ZETCQYMHSA-N 1 2 234.307 1.404 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NC[C@H](C)OC ZINC000661261496 411744937 /nfs/dbraw/zinc/74/49/37/411744937.db2.gz HWWDGXHLIABSEX-VIFPVBQESA-N 1 2 240.307 0.737 20 0 BCADLO Cc1n[nH]c(CCNc2nc(C)[nH+]c(C)c2C)n1 ZINC000354465309 411761723 /nfs/dbraw/zinc/76/17/23/411761723.db2.gz PNXASFANWZWSLX-UHFFFAOYSA-N 1 2 246.318 1.483 20 0 BCADLO Cc1nc(CCNc2nc(C)[nH+]c(C)c2C)n[nH]1 ZINC000354465309 411761727 /nfs/dbraw/zinc/76/17/27/411761727.db2.gz PNXASFANWZWSLX-UHFFFAOYSA-N 1 2 246.318 1.483 20 0 BCADLO Cc1nc(N(C)C)nc(NC2CC(C)(F)C2)[nH+]1 ZINC000450579731 411763832 /nfs/dbraw/zinc/76/38/32/411763832.db2.gz MLWINTKRTCROEH-UHFFFAOYSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(NC2CC(C)(F)C2)nc(N(C)C)[nH+]1 ZINC000450579731 411763840 /nfs/dbraw/zinc/76/38/40/411763840.db2.gz MLWINTKRTCROEH-UHFFFAOYSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2(C)CC2)[nH+]1 ZINC000336759092 411765353 /nfs/dbraw/zinc/76/53/53/411765353.db2.gz IOYAPVDHROTWIC-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BCADLO Cc1nc(NCC2(C)CC2)nc(N(C)C)[nH+]1 ZINC000336759092 411765356 /nfs/dbraw/zinc/76/53/56/411765356.db2.gz IOYAPVDHROTWIC-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2(C)COC2)[nH+]1 ZINC000584148732 411765462 /nfs/dbraw/zinc/76/54/62/411765462.db2.gz IQHMOPKXAJYAGI-UHFFFAOYSA-N 1 2 237.307 0.694 20 0 BCADLO Cc1nc(NCC2(C)COC2)nc(N(C)C)[nH+]1 ZINC000584148732 411765467 /nfs/dbraw/zinc/76/54/67/411765467.db2.gz IQHMOPKXAJYAGI-UHFFFAOYSA-N 1 2 237.307 0.694 20 0 BCADLO Cc1nc(N(C)C)nc(NCC[C@@H](C)F)[nH+]1 ZINC000338756103 411766633 /nfs/dbraw/zinc/76/66/33/411766633.db2.gz QTHOXSKPDDQWJJ-SSDOTTSWSA-N 1 2 227.287 1.406 20 0 BCADLO Cc1nc(NCC[C@@H](C)F)nc(N(C)C)[nH+]1 ZINC000338756103 411766634 /nfs/dbraw/zinc/76/66/34/411766634.db2.gz QTHOXSKPDDQWJJ-SSDOTTSWSA-N 1 2 227.287 1.406 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000631524006 411767822 /nfs/dbraw/zinc/76/78/22/411767822.db2.gz SXKIYLNGAYGOKQ-IUCAKERBSA-N 1 2 237.307 0.571 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@@H]2O)nc(N(C)C)[nH+]1 ZINC000631524006 411767826 /nfs/dbraw/zinc/76/78/26/411767826.db2.gz SXKIYLNGAYGOKQ-IUCAKERBSA-N 1 2 237.307 0.571 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)C2CC2)[nH+]1 ZINC000336778251 411767896 /nfs/dbraw/zinc/76/78/96/411767896.db2.gz KUIZMJZZLFSOPD-ZETCQYMHSA-N 1 2 221.308 1.456 20 0 BCADLO Cc1nc(N[C@@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000336778251 411767903 /nfs/dbraw/zinc/76/79/03/411767903.db2.gz KUIZMJZZLFSOPD-ZETCQYMHSA-N 1 2 221.308 1.456 20 0 BCADLO CCc1cc(NCCN2C(=O)CNC2=O)nc[nH+]1 ZINC000603493410 411767958 /nfs/dbraw/zinc/76/79/58/411767958.db2.gz LNVWNXNGRXESOH-UHFFFAOYSA-N 1 2 249.274 0.003 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)c2cn[nH]c2)[nH+]1 ZINC000339704091 411768220 /nfs/dbraw/zinc/76/82/20/411768220.db2.gz WCEPQRYWUPFDFE-SSDOTTSWSA-N 1 2 247.306 1.142 20 0 BCADLO Cc1nc(N[C@H](C)c2cn[nH]c2)nc(N(C)C)[nH+]1 ZINC000339704091 411768225 /nfs/dbraw/zinc/76/82/25/411768225.db2.gz WCEPQRYWUPFDFE-SSDOTTSWSA-N 1 2 247.306 1.142 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)c2cn[nH]c2)[nH+]1 ZINC000339704092 411768330 /nfs/dbraw/zinc/76/83/30/411768330.db2.gz WCEPQRYWUPFDFE-ZETCQYMHSA-N 1 2 247.306 1.142 20 0 BCADLO Cc1nc(N[C@@H](C)c2cn[nH]c2)nc(N(C)C)[nH+]1 ZINC000339704092 411768333 /nfs/dbraw/zinc/76/83/33/411768333.db2.gz WCEPQRYWUPFDFE-ZETCQYMHSA-N 1 2 247.306 1.142 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661408696 411768467 /nfs/dbraw/zinc/76/84/67/411768467.db2.gz QXHDNYBBZQFISN-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661408696 411768471 /nfs/dbraw/zinc/76/84/71/411768471.db2.gz QXHDNYBBZQFISN-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO O[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC1(F)F ZINC000661401344 411768925 /nfs/dbraw/zinc/76/89/25/411768925.db2.gz XMPRRXBSDZHRSO-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(F)F ZINC000661401344 411768928 /nfs/dbraw/zinc/76/89/28/411768928.db2.gz XMPRRXBSDZHRSO-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CCCOC2)[nH+]1 ZINC000408353843 411769347 /nfs/dbraw/zinc/76/93/47/411769347.db2.gz FLUFDPWKNBVAPE-SECBINFHSA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(N[C@@H]2CCCOC2)nc(N(C)C)[nH+]1 ZINC000408353843 411769350 /nfs/dbraw/zinc/76/93/50/411769350.db2.gz FLUFDPWKNBVAPE-SECBINFHSA-N 1 2 237.307 0.837 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401992 411769662 /nfs/dbraw/zinc/76/96/62/411769662.db2.gz AUHIFYIGUAASPD-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@@H](CO)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401992 411769665 /nfs/dbraw/zinc/76/96/65/411769665.db2.gz AUHIFYIGUAASPD-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO CCc1cc(NC[C@@H]2COCC[N@@H+]2C)ncn1 ZINC000624619834 411769726 /nfs/dbraw/zinc/76/97/26/411769726.db2.gz NKXSQKFWHCIZFA-LLVKDONJSA-N 1 2 236.319 0.782 20 0 BCADLO CCc1cc(NC[C@@H]2COCC[N@H+]2C)ncn1 ZINC000624619834 411769729 /nfs/dbraw/zinc/76/97/29/411769729.db2.gz NKXSQKFWHCIZFA-LLVKDONJSA-N 1 2 236.319 0.782 20 0 BCADLO O[C@H]1CCN(CCn2cc[nH+]c2)CC1(F)F ZINC000661410646 411770053 /nfs/dbraw/zinc/77/00/53/411770053.db2.gz TYWSPUYBGGNMLC-VIFPVBQESA-N 1 2 231.246 0.585 20 0 BCADLO COc1nc(C)cc(NCCc2cn(C)c[nH+]2)n1 ZINC000413388671 411773688 /nfs/dbraw/zinc/77/36/88/411773688.db2.gz ZWZGHTOSXOBGIO-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)NC(C)(C)C1=O ZINC000663920668 411777171 /nfs/dbraw/zinc/77/71/71/411777171.db2.gz HCRHIPRUQKHGKX-UHFFFAOYSA-N 1 2 236.275 0.293 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000661440778 411777198 /nfs/dbraw/zinc/77/71/98/411777198.db2.gz FAKOCUZGZAUHON-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000661440778 411777200 /nfs/dbraw/zinc/77/72/00/411777200.db2.gz FAKOCUZGZAUHON-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO Cc1ncc(CNc2cc[nH+]c(C)n2)c(=O)[nH]1 ZINC000343609427 411783260 /nfs/dbraw/zinc/78/32/60/411783260.db2.gz SMFOEOIXWPYGMM-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BCADLO Cc1nc(NCc2ccc(C(N)=O)o2)c(C)c[nH+]1 ZINC000562136616 411783999 /nfs/dbraw/zinc/78/39/99/411783999.db2.gz PBJFSXUETLMTKQ-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BCADLO Cc1nccnc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000357267990 411789181 /nfs/dbraw/zinc/78/91/81/411789181.db2.gz WNOPLPIRFTWKMO-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BCADLO Cc1nccnc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000357267990 411789184 /nfs/dbraw/zinc/78/91/84/411789184.db2.gz WNOPLPIRFTWKMO-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BCADLO Cc1nccnc1NCC[N@H+]1CCOC[C@@H]1C ZINC000357263183 411790153 /nfs/dbraw/zinc/79/01/53/411790153.db2.gz OBCCPLKGCGNQPS-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccnc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000357263183 411790157 /nfs/dbraw/zinc/79/01/57/411790157.db2.gz OBCCPLKGCGNQPS-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO CC[C@@H](C)[C@H](O)CNc1nc[nH+]c(N)c1OC ZINC000571179182 411721349 /nfs/dbraw/zinc/72/13/49/411721349.db2.gz WVRMINVHCHGZDA-HTQZYQBOSA-N 1 2 240.307 0.886 20 0 BCADLO CC[C@@H](C)[C@H](O)CNc1[nH+]cnc(N)c1OC ZINC000571179182 411721352 /nfs/dbraw/zinc/72/13/52/411721352.db2.gz WVRMINVHCHGZDA-HTQZYQBOSA-N 1 2 240.307 0.886 20 0 BCADLO COc1ccc(NCc2ccnc(OC)n2)[nH+]c1 ZINC000648481686 411723595 /nfs/dbraw/zinc/72/35/95/411723595.db2.gz BIHHWCBDSBLXJF-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@H+]2C)o1 ZINC000624620968 411796828 /nfs/dbraw/zinc/79/68/28/411796828.db2.gz QMGSKZPRYUSKGJ-MRVPVSSYSA-N 1 2 212.253 0.121 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@@H+]2C)o1 ZINC000624620968 411796829 /nfs/dbraw/zinc/79/68/29/411796829.db2.gz QMGSKZPRYUSKGJ-MRVPVSSYSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H](C)C1=O ZINC000661537914 411798044 /nfs/dbraw/zinc/79/80/44/411798044.db2.gz GDKPMCAGDXBJKK-RKDXNWHRSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H](C)C1=O ZINC000661549222 411801620 /nfs/dbraw/zinc/80/16/20/411801620.db2.gz NZSJKUSGCOHESO-HLTSFMKQSA-N 1 2 210.277 0.032 20 0 BCADLO C[C@H]1C(=O)N(CCc2c[nH+]cn2C)C(=O)[C@@H]1C ZINC000663985792 411801838 /nfs/dbraw/zinc/80/18/38/411801838.db2.gz ZSQPEVLVQSKMAL-RKDXNWHRSA-N 1 2 235.287 0.604 20 0 BCADLO Cc1nnc(NC[C@@H](C)Cn2cc[nH+]c2)nc1C ZINC000359588488 411801929 /nfs/dbraw/zinc/80/19/29/411801929.db2.gz KUOFNBIKHOFIGN-SECBINFHSA-N 1 2 246.318 1.433 20 0 BCADLO Cn1c[nH+]cc1CCn1cnn(C(C)(C)C)c1=O ZINC000664002532 411809729 /nfs/dbraw/zinc/80/97/29/411809729.db2.gz HOUZCJDBBIYEPI-UHFFFAOYSA-N 1 2 249.318 0.776 20 0 BCADLO CCn1cc[nH+]c1CNc1n[nH]cc1C#N ZINC000381198221 411813089 /nfs/dbraw/zinc/81/30/89/411813089.db2.gz BOMXAEJAGHPPDY-UHFFFAOYSA-N 1 2 216.248 1.110 20 0 BCADLO COc1ccc(=O)n(CCc2c[nH+]cn2C)n1 ZINC000664015323 411814652 /nfs/dbraw/zinc/81/46/52/411814652.db2.gz NPGBQJXGWHSOKE-UHFFFAOYSA-N 1 2 234.259 0.228 20 0 BCADLO C[N@@H+](Cc1cnns1)C[C@H]1COCCO1 ZINC000661609483 411815591 /nfs/dbraw/zinc/81/55/91/411815591.db2.gz ASFAPJYGKJFHPH-QMMMGPOBSA-N 1 2 229.305 0.385 20 0 BCADLO C[N@H+](Cc1cnns1)C[C@H]1COCCO1 ZINC000661609483 411815596 /nfs/dbraw/zinc/81/55/96/411815596.db2.gz ASFAPJYGKJFHPH-QMMMGPOBSA-N 1 2 229.305 0.385 20 0 BCADLO CN(CCC(N)=O)c1nc(N)c2ccccc2[nH+]1 ZINC000517048598 411865713 /nfs/dbraw/zinc/86/57/13/411865713.db2.gz TUHFRYFSXNNJRC-UHFFFAOYSA-N 1 2 245.286 0.524 20 0 BCADLO C[C@@H](CCO)CNc1[nH+]cnc2c1OCCN2 ZINC000647870349 411817816 /nfs/dbraw/zinc/81/78/16/411817816.db2.gz PDHSVEDWUZWKHK-QMMMGPOBSA-N 1 2 238.291 0.711 20 0 BCADLO C[C@@H](CCO)CNc1nc[nH+]c2c1OCCN2 ZINC000647870349 411817823 /nfs/dbraw/zinc/81/78/23/411817823.db2.gz PDHSVEDWUZWKHK-QMMMGPOBSA-N 1 2 238.291 0.711 20 0 BCADLO C[C@@H](CO)CCCNc1cc(CO)cc[nH+]1 ZINC000641462823 411820289 /nfs/dbraw/zinc/82/02/89/411820289.db2.gz CTXSYMKUACSEOP-SNVBAGLBSA-N 1 2 224.304 1.394 20 0 BCADLO Cn1c(CNc2cc[nH+]c(C3CC3)n2)n[nH]c1=O ZINC000631348360 411830473 /nfs/dbraw/zinc/83/04/73/411830473.db2.gz RMIMTKMTCNPQBT-UHFFFAOYSA-N 1 2 246.274 0.800 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1=CCCOC1 ZINC000661652783 411831653 /nfs/dbraw/zinc/83/16/53/411831653.db2.gz CLILIGPKTLIYQE-UHFFFAOYSA-N 1 2 224.264 0.289 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1=CCCOC1 ZINC000661652783 411831656 /nfs/dbraw/zinc/83/16/56/411831656.db2.gz CLILIGPKTLIYQE-UHFFFAOYSA-N 1 2 224.264 0.289 20 0 BCADLO c1cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1 ZINC000664067885 411837695 /nfs/dbraw/zinc/83/76/95/411837695.db2.gz GAQYQQNMMJMGJP-TXEJJXNPSA-N 1 2 235.287 0.719 20 0 BCADLO c1cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1 ZINC000664067885 411837699 /nfs/dbraw/zinc/83/76/99/411837699.db2.gz GAQYQQNMMJMGJP-TXEJJXNPSA-N 1 2 235.287 0.719 20 0 BCADLO COCC[C@@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000379878516 411867393 /nfs/dbraw/zinc/86/73/93/411867393.db2.gz AFVUQAFHOJGPNJ-QMMMGPOBSA-N 1 2 241.295 0.226 20 0 BCADLO COCC[C@@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000379878516 411867396 /nfs/dbraw/zinc/86/73/96/411867396.db2.gz AFVUQAFHOJGPNJ-QMMMGPOBSA-N 1 2 241.295 0.226 20 0 BCADLO COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422790567 411852014 /nfs/dbraw/zinc/85/20/14/411852014.db2.gz PJDSMBFZMYBKAW-YUMQZZPRSA-N 1 2 235.243 0.411 20 0 BCADLO CCN1CC[N@H+](Cc2ccnc(N)c2)[C@H](C)C1=O ZINC000411566391 411856946 /nfs/dbraw/zinc/85/69/46/411856946.db2.gz HAGRTILLIUMNIP-SNVBAGLBSA-N 1 2 248.330 0.716 20 0 BCADLO CCN1CC[N@@H+](Cc2ccnc(N)c2)[C@H](C)C1=O ZINC000411566391 411856951 /nfs/dbraw/zinc/85/69/51/411856951.db2.gz HAGRTILLIUMNIP-SNVBAGLBSA-N 1 2 248.330 0.716 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721676 411858097 /nfs/dbraw/zinc/85/80/97/411858097.db2.gz UWASVZSDZMKWJS-VDDIYKPWSA-N 1 2 236.319 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721676 411858101 /nfs/dbraw/zinc/85/81/01/411858101.db2.gz UWASVZSDZMKWJS-VDDIYKPWSA-N 1 2 236.319 0.885 20 0 BCADLO CC[N@H+](Cc1nccc(N)n1)[C@H]1CCOC1 ZINC000336668380 411858231 /nfs/dbraw/zinc/85/82/31/411858231.db2.gz MJPSLEQSIKFHEK-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CC[N@@H+](Cc1nccc(N)n1)[C@H]1CCOC1 ZINC000336668380 411858235 /nfs/dbraw/zinc/85/82/35/411858235.db2.gz MJPSLEQSIKFHEK-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CN(C)c1nc(N)nc(C[NH+](C2CC2)C2CC2)n1 ZINC000625840067 411858740 /nfs/dbraw/zinc/85/87/40/411858740.db2.gz QBLURZGWFUXQOQ-UHFFFAOYSA-N 1 2 248.334 0.647 20 0 BCADLO CCO/C=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000493856261 411860537 /nfs/dbraw/zinc/86/05/37/411860537.db2.gz LNAVLYMRKQMSQV-PLNGDYQASA-N 1 2 236.275 0.534 20 0 BCADLO COCC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631346685 411861293 /nfs/dbraw/zinc/86/12/93/411861293.db2.gz OUGLBIUFWGOGOB-UHFFFAOYSA-N 1 2 223.280 0.023 20 0 BCADLO COCC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000631346685 411861298 /nfs/dbraw/zinc/86/12/98/411861298.db2.gz OUGLBIUFWGOGOB-UHFFFAOYSA-N 1 2 223.280 0.023 20 0 BCADLO CN(CC(=O)Nc1ccc(N)[nH+]c1)C(=O)C1CC1 ZINC000647755791 411862955 /nfs/dbraw/zinc/86/29/55/411862955.db2.gz IBXUJEKHTOVKNQ-UHFFFAOYSA-N 1 2 248.286 0.471 20 0 BCADLO Cn1cc(C[N@H+](C)CCO[C@H]2CC2(F)F)nn1 ZINC000661744115 411863435 /nfs/dbraw/zinc/86/34/35/411863435.db2.gz PLBCEIVUIKTZOL-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cc(C[N@@H+](C)CCO[C@H]2CC2(F)F)nn1 ZINC000661744115 411863438 /nfs/dbraw/zinc/86/34/38/411863438.db2.gz PLBCEIVUIKTZOL-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO C[C@@H](CCO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000664186853 411885241 /nfs/dbraw/zinc/88/52/41/411885241.db2.gz XOQYUGWCJYSAHJ-IUCAKERBSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@@H](NC(=O)NCc1ccc(N)[nH+]c1)C(F)F ZINC000641007995 411885731 /nfs/dbraw/zinc/88/57/31/411885731.db2.gz ZCUQJLXIIZWHIA-ZCFIWIBFSA-N 1 2 244.245 1.117 20 0 BCADLO CC[C@H](C[C@H](C)CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631141871 411885916 /nfs/dbraw/zinc/88/59/16/411885916.db2.gz KCEFWGOAFZRNPF-IONNQARKSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@H](C[C@H](C)CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631141871 411885918 /nfs/dbraw/zinc/88/59/18/411885918.db2.gz KCEFWGOAFZRNPF-IONNQARKSA-N 1 2 239.323 0.971 20 0 BCADLO CN1CC[N@H+](Cc2cc3n(n2)CCC3)CCC1=O ZINC000661804518 411885976 /nfs/dbraw/zinc/88/59/76/411885976.db2.gz FYOZKDYWLFYJGT-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO CN1CC[N@@H+](Cc2cc3n(n2)CCC3)CCC1=O ZINC000661804518 411885978 /nfs/dbraw/zinc/88/59/78/411885978.db2.gz FYOZKDYWLFYJGT-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661804750 411886946 /nfs/dbraw/zinc/88/69/46/411886946.db2.gz LSEBOINWVOTITN-QMMMGPOBSA-N 1 2 237.307 0.338 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661804750 411886950 /nfs/dbraw/zinc/88/69/50/411886950.db2.gz LSEBOINWVOTITN-QMMMGPOBSA-N 1 2 237.307 0.338 20 0 BCADLO CC1(C)C[N@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000351628620 411888698 /nfs/dbraw/zinc/88/86/98/411888698.db2.gz MZZUTQQRTBELJP-VIFPVBQESA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)CC[C@@H]1O ZINC000351628620 411888702 /nfs/dbraw/zinc/88/87/02/411888702.db2.gz MZZUTQQRTBELJP-VIFPVBQESA-N 1 2 236.319 0.652 20 0 BCADLO C[C@@H](NC(=O)c1ccc(N)nc1)c1[nH+]ccn1C ZINC000638430453 411888737 /nfs/dbraw/zinc/88/87/37/411888737.db2.gz QNMMULZCZHUBFF-MRVPVSSYSA-N 1 2 245.286 0.888 20 0 BCADLO CO[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631294791 411894471 /nfs/dbraw/zinc/89/44/71/411894471.db2.gz RYHPGONJSCHODD-CBAPKCEASA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C[C@@H]1C ZINC000631294791 411894475 /nfs/dbraw/zinc/89/44/75/411894475.db2.gz RYHPGONJSCHODD-CBAPKCEASA-N 1 2 237.307 0.623 20 0 BCADLO Cc1noc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)n1 ZINC000661831478 411894734 /nfs/dbraw/zinc/89/47/34/411894734.db2.gz OVDDXTOPMKBVTJ-BDAKNGLRSA-N 1 2 223.276 0.771 20 0 BCADLO CCC(CC)[C@@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000383442970 411895357 /nfs/dbraw/zinc/89/53/57/411895357.db2.gz FGDSCONMVPQHJB-VIFPVBQESA-N 1 2 239.323 0.393 20 0 BCADLO CCC(CC)[C@@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000383442970 411895366 /nfs/dbraw/zinc/89/53/66/411895366.db2.gz FGDSCONMVPQHJB-VIFPVBQESA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000664242876 411895596 /nfs/dbraw/zinc/89/55/96/411895596.db2.gz QHUXBOHTWITULR-BDAKNGLRSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1nnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000664242876 411895600 /nfs/dbraw/zinc/89/56/00/411895600.db2.gz QHUXBOHTWITULR-BDAKNGLRSA-N 1 2 240.307 0.899 20 0 BCADLO CO[C@H](CNc1nc(C)[nH+]c(N)n1)CC(C)C ZINC000631313152 411898912 /nfs/dbraw/zinc/89/89/12/411898912.db2.gz LHXCOPYUFMVVPB-VIFPVBQESA-N 1 2 239.323 0.657 20 0 BCADLO CO[C@H](CNc1nc(N)nc(C)[nH+]1)CC(C)C ZINC000631313152 411898916 /nfs/dbraw/zinc/89/89/16/411898916.db2.gz LHXCOPYUFMVVPB-VIFPVBQESA-N 1 2 239.323 0.657 20 0 BCADLO Cc1cc(N2CC[C@@H](O)C(F)(F)C2)nc[nH+]1 ZINC000664258669 411902459 /nfs/dbraw/zinc/90/24/59/411902459.db2.gz FOEDVVMRZUYSPB-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO Nc1cc(CSCCc2nn[nH]n2)cc[nH+]1 ZINC000603339468 411943851 /nfs/dbraw/zinc/94/38/51/411943851.db2.gz DMESIDQAWWDJDT-UHFFFAOYSA-N 1 2 236.304 0.653 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@H](C)O1 ZINC000661858474 411904253 /nfs/dbraw/zinc/90/42/53/411904253.db2.gz IKLISFWYLLRGPX-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@H](C)O1 ZINC000661858474 411904258 /nfs/dbraw/zinc/90/42/58/411904258.db2.gz IKLISFWYLLRGPX-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602891895 411907282 /nfs/dbraw/zinc/90/72/82/411907282.db2.gz KXZDRNUHVFPXQU-ZETCQYMHSA-N 1 2 240.263 0.004 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602891895 411907286 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411969631 /nfs/dbraw/zinc/96/96/31/411969631.db2.gz KPWWEOZXIWBQHC-UHFFFAOYSA-N 1 2 248.330 1.061 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC3(COC3)C2)[nH]1 ZINC000662072504 411973672 /nfs/dbraw/zinc/97/36/72/411973672.db2.gz MFDOBHMGXIWVMV-UHFFFAOYSA-N 1 2 222.292 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCC3(COC3)C2)[nH]1 ZINC000662072504 411973677 /nfs/dbraw/zinc/97/36/77/411973677.db2.gz MFDOBHMGXIWVMV-UHFFFAOYSA-N 1 2 222.292 0.589 20 0 BCADLO C[C@H](O)C1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000664549351 411982882 /nfs/dbraw/zinc/98/28/82/411982882.db2.gz HURKZPPMBVMHPL-ZETCQYMHSA-N 1 2 233.275 0.689 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC000648902473 411985071 /nfs/dbraw/zinc/98/50/71/411985071.db2.gz LQRPWULQTQWCHL-SECBINFHSA-N 1 2 232.287 0.784 20 0 BCADLO CC[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662091380 411986086 /nfs/dbraw/zinc/98/60/86/411986086.db2.gz FQNDJNGTFWRLGE-DTWKUNHWSA-N 1 2 240.307 0.551 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC2(F)F)c[nH+]1 ZINC000565776001 411986215 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/nfs/dbraw/zinc/99/23/58/411992358.db2.gz BADNMRBLCJDQFZ-UHFFFAOYSA-N 1 2 229.287 0.731 20 0 BCADLO c1cn(CCN2CCc3nccnc3C2)c[nH+]1 ZINC000662121388 411992359 /nfs/dbraw/zinc/99/23/59/411992359.db2.gz BADNMRBLCJDQFZ-UHFFFAOYSA-N 1 2 229.287 0.731 20 0 BCADLO CC[C@@H]([NH2+]CCSCC(=O)OC)C(=O)OC ZINC000336727776 170896604 /nfs/dbraw/zinc/89/66/04/170896604.db2.gz GRMPRVCLBDUHIL-MRVPVSSYSA-N 1 2 249.332 0.434 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000664605720 411996778 /nfs/dbraw/zinc/99/67/78/411996778.db2.gz PSMSHBJAUZIVAR-KCJUWKMLSA-N 1 2 237.307 0.835 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000664605720 411996781 /nfs/dbraw/zinc/99/67/81/411996781.db2.gz PSMSHBJAUZIVAR-KCJUWKMLSA-N 1 2 237.307 0.835 20 0 BCADLO C[C@@H](N=c1ncnc2[nH][nH]cc1-2)c1[nH+]ccn1C ZINC000664609235 411998989 /nfs/dbraw/zinc/99/89/89/411998989.db2.gz WOKZBGSQCWYTIM-SSDOTTSWSA-N 1 2 243.274 0.633 20 0 BCADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(N)=O ZINC000662160977 412013652 /nfs/dbraw/zinc/01/36/52/412013652.db2.gz KMCADACPLXEAHY-LDWIPMOCSA-N 1 2 244.241 0.462 20 0 BCADLO Cc1nc(NC[C@H]2CCOC2(C)C)nc(N)[nH+]1 ZINC000631379955 411944077 /nfs/dbraw/zinc/94/40/77/411944077.db2.gz IRGRCFSJBIEXGC-MRVPVSSYSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCOC2(C)C)[nH+]1 ZINC000631379955 411944080 /nfs/dbraw/zinc/94/40/80/411944080.db2.gz IRGRCFSJBIEXGC-MRVPVSSYSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(NC[C@H]2CCC(C)(C)O2)nc(N)[nH+]1 ZINC000631223889 411945130 /nfs/dbraw/zinc/94/51/30/411945130.db2.gz YZPHHHYKLVBXIV-MRVPVSSYSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC(C)(C)O2)[nH+]1 ZINC000631223889 411945134 /nfs/dbraw/zinc/94/51/34/411945134.db2.gz YZPHHHYKLVBXIV-MRVPVSSYSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(NCCSCC(C)C)nc(N)[nH+]1 ZINC000397124519 411945176 /nfs/dbraw/zinc/94/51/76/411945176.db2.gz AHMYNFMTHCEPML-UHFFFAOYSA-N 1 2 241.364 0.985 20 0 BCADLO Cc1nc(N)nc(NCCSCC(C)C)[nH+]1 ZINC000397124519 411945181 /nfs/dbraw/zinc/94/51/81/411945181.db2.gz AHMYNFMTHCEPML-UHFFFAOYSA-N 1 2 241.364 0.985 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc(N)[nH+]1 ZINC000631301079 411945312 /nfs/dbraw/zinc/94/53/12/411945312.db2.gz BPINIVPWBXIXNW-ZKWXMUAHSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@H](C)O[C@H]2C)[nH+]1 ZINC000631301079 411945315 /nfs/dbraw/zinc/94/53/15/411945315.db2.gz BPINIVPWBXIXNW-ZKWXMUAHSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c(C)nc2N)[nH]n1 ZINC000560501559 411947094 /nfs/dbraw/zinc/94/70/94/411947094.db2.gz JCGONJKHFFUBLG-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO Nc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000647538990 411954752 /nfs/dbraw/zinc/95/47/52/411954752.db2.gz QQYZKAIPSSKXQO-ZDUSSCGKSA-N 1 2 249.314 0.655 20 0 BCADLO Nc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000647538990 411954757 /nfs/dbraw/zinc/95/47/57/411954757.db2.gz QQYZKAIPSSKXQO-ZDUSSCGKSA-N 1 2 249.314 0.655 20 0 BCADLO Nc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cn1 ZINC000647538989 411955178 /nfs/dbraw/zinc/95/51/78/411955178.db2.gz QQYZKAIPSSKXQO-CYBMUJFWSA-N 1 2 249.314 0.655 20 0 BCADLO Nc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cn1 ZINC000647538989 411955182 /nfs/dbraw/zinc/95/51/82/411955182.db2.gz QQYZKAIPSSKXQO-CYBMUJFWSA-N 1 2 249.314 0.655 20 0 BCADLO Nc1ccc(NC(=O)COCC(F)F)c[nH+]1 ZINC000637827089 411956716 /nfs/dbraw/zinc/95/67/16/411956716.db2.gz APUZCCJGLFWTCI-UHFFFAOYSA-N 1 2 231.202 0.884 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000664441664 411959094 /nfs/dbraw/zinc/95/90/94/411959094.db2.gz NDOZIECXLCCIAG-WCBMZHEXSA-N 1 2 247.302 0.713 20 0 BCADLO NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043514 411960695 /nfs/dbraw/zinc/96/06/95/411960695.db2.gz KIUPDJBKPJAQQD-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO Cc1nc(N2CCOC3(CCCC3)C2)nc(N)[nH+]1 ZINC000631168449 411962662 /nfs/dbraw/zinc/96/26/62/411962662.db2.gz GCIMQYPSEUFRGW-UHFFFAOYSA-N 1 2 249.318 0.912 20 0 BCADLO Cc1nc(N)nc(N2CCOC3(CCCC3)C2)[nH+]1 ZINC000631168449 411962669 /nfs/dbraw/zinc/96/26/69/411962669.db2.gz GCIMQYPSEUFRGW-UHFFFAOYSA-N 1 2 249.318 0.912 20 0 BCADLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(N)=O)C1 ZINC000664867756 412036309 /nfs/dbraw/zinc/03/63/09/412036309.db2.gz HFDYYIXRJPNHAW-UHFFFAOYSA-N 1 2 222.292 0.279 20 0 BCADLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(N)=O)C1 ZINC000664867756 412036312 /nfs/dbraw/zinc/03/63/12/412036312.db2.gz HFDYYIXRJPNHAW-UHFFFAOYSA-N 1 2 222.292 0.279 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CC2=CCSC2)C1=O ZINC000662264837 412055988 /nfs/dbraw/zinc/05/59/88/412055988.db2.gz SIWPIWKTQUGNIR-JTQLQIEISA-N 1 2 242.344 0.754 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CC2=CCSC2)C1=O ZINC000662264837 412055992 /nfs/dbraw/zinc/05/59/92/412055992.db2.gz SIWPIWKTQUGNIR-JTQLQIEISA-N 1 2 242.344 0.754 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000268211023 171031367 /nfs/dbraw/zinc/03/13/67/171031367.db2.gz VMYZEMUEOGNQFF-BDAKNGLRSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000336754923 171045209 /nfs/dbraw/zinc/04/52/09/171045209.db2.gz HUCSAEFZBZYSRS-IMSYWVGJSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000268270230 171047763 /nfs/dbraw/zinc/04/77/63/171047763.db2.gz HBAZKQAXIXOOLT-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC000330764445 171062913 /nfs/dbraw/zinc/06/29/13/171062913.db2.gz RMUQSUTZXBAGFO-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000376115869 171075543 /nfs/dbraw/zinc/07/55/43/171075543.db2.gz QAXRICFKARIHMB-ZYHUDNBSSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000376115869 171075546 /nfs/dbraw/zinc/07/55/46/171075546.db2.gz QAXRICFKARIHMB-ZYHUDNBSSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H]1C[N@H+](CCOCCO)C[C@@H](C)[S@]1=O ZINC000352877467 171081474 /nfs/dbraw/zinc/08/14/74/171081474.db2.gz QJVLHWHTLLYYHE-GLKRBJQHSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOCCO)C[C@@H](C)[S@]1=O ZINC000352877467 171081476 /nfs/dbraw/zinc/08/14/76/171081476.db2.gz QJVLHWHTLLYYHE-GLKRBJQHSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnnn2C)CCS1 ZINC000362393536 171094789 /nfs/dbraw/zinc/09/47/89/171094789.db2.gz PFOWXJQBEUUKDI-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C)CCS1 ZINC000362393536 171094791 /nfs/dbraw/zinc/09/47/91/171094791.db2.gz PFOWXJQBEUUKDI-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2noc(COC)n2)C[C@@H]1O ZINC000356252783 171094827 /nfs/dbraw/zinc/09/48/27/171094827.db2.gz LPOHHQPFKSDBDQ-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2noc(COC)n2)C[C@@H]1O ZINC000356252783 171094829 /nfs/dbraw/zinc/09/48/29/171094829.db2.gz LPOHHQPFKSDBDQ-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H](C)O1 ZINC000336648252 171096596 /nfs/dbraw/zinc/09/65/96/171096596.db2.gz OIPONOMBCPOJNN-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H](C)O1 ZINC000336648252 171096599 /nfs/dbraw/zinc/09/65/99/171096599.db2.gz OIPONOMBCPOJNN-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000115576565 171105476 /nfs/dbraw/zinc/10/54/76/171105476.db2.gz RCFFZIBTRRZZMM-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000115576565 171105478 /nfs/dbraw/zinc/10/54/78/171105478.db2.gz RCFFZIBTRRZZMM-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000115573290 171106411 /nfs/dbraw/zinc/10/64/11/171106411.db2.gz ZLGZRBQFVXSGOI-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)NCC1CC1 ZINC000115573290 171106413 /nfs/dbraw/zinc/10/64/13/171106413.db2.gz ZLGZRBQFVXSGOI-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000336660688 171106608 /nfs/dbraw/zinc/10/66/08/171106608.db2.gz AZDJXYWDXAZCNR-WDEREUQCSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000336660688 171106610 /nfs/dbraw/zinc/10/66/10/171106610.db2.gz AZDJXYWDXAZCNR-WDEREUQCSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329613970 171143965 /nfs/dbraw/zinc/14/39/65/171143965.db2.gz OZHRGTWXUNUWOK-SFYZADRCSA-N 1 2 248.286 0.802 20 0 BCADLO CC[C@@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329613970 171143968 /nfs/dbraw/zinc/14/39/68/171143968.db2.gz OZHRGTWXUNUWOK-SFYZADRCSA-N 1 2 248.286 0.802 20 0 BCADLO CC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330356638 171144117 /nfs/dbraw/zinc/14/41/17/171144117.db2.gz RVKVNUOWSXFCEX-IUCAKERBSA-N 1 2 248.286 0.733 20 0 BCADLO CC[C@@](C)(CO)Nc1[nH+]cnc2c1cnn2C ZINC000080882572 171171751 /nfs/dbraw/zinc/17/17/51/171171751.db2.gz JKXQFLAANTXWKH-NSHDSACASA-N 1 2 235.291 0.936 20 0 BCADLO CC[C@@](C)(NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000270029472 171174120 /nfs/dbraw/zinc/17/41/20/171174120.db2.gz AUAHYCKFZIVTRV-LLVKDONJSA-N 1 2 239.275 0.790 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000308920797 171175469 /nfs/dbraw/zinc/17/54/69/171175469.db2.gz ITNOPGQEHMHAFI-MWLCHTKSSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nc(C)no1)C(N)=O ZINC000309176662 171175688 /nfs/dbraw/zinc/17/56/88/171175688.db2.gz MYFYEFZMSXPLPH-SECBINFHSA-N 1 2 212.253 0.122 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nccc(C)n1)C(N)=O ZINC000310013191 171176572 /nfs/dbraw/zinc/17/65/72/171176572.db2.gz JOEGEJPYVVDWTE-LLVKDONJSA-N 1 2 222.292 0.529 20 0 BCADLO CC[C@@](C)(O)C[N@H+](C)Cc1noc(C)n1 ZINC000162484904 171178768 /nfs/dbraw/zinc/17/87/68/171178768.db2.gz NETVLIJYTAISHR-SNVBAGLBSA-N 1 2 213.281 0.971 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279127414 171180610 /nfs/dbraw/zinc/18/06/10/171180610.db2.gz DOPAMWFDYLYLQK-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1[nH+]ccn1C ZINC000280752551 171189918 /nfs/dbraw/zinc/18/99/18/171189918.db2.gz PSNUPXSKMGFPTJ-LLVKDONJSA-N 1 2 225.292 0.851 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000233989142 171190070 /nfs/dbraw/zinc/19/00/70/171190070.db2.gz LINUYTGUZKCVPI-SNVBAGLBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(CC(=O)OC)CC1 ZINC000331189828 171221056 /nfs/dbraw/zinc/22/10/56/171221056.db2.gz PCICDTFREHETHD-SECBINFHSA-N 1 2 243.307 0.091 20 0 BCADLO CC[C@H](C(=O)Nc1n[nH]c(C)n1)[NH+](C)C ZINC000163023886 171235652 /nfs/dbraw/zinc/23/56/52/171235652.db2.gz CQNBPNYLHAMBMZ-SSDOTTSWSA-N 1 2 211.269 0.392 20 0 BCADLO CC[C@H](C(=O)Nc1nnc(C)[nH]1)[NH+](C)C ZINC000163023886 171235655 /nfs/dbraw/zinc/23/56/55/171235655.db2.gz CQNBPNYLHAMBMZ-SSDOTTSWSA-N 1 2 211.269 0.392 20 0 BCADLO CC[C@H](C(=O)Nc1nc(C)n[nH]1)[NH+](C)C ZINC000163023886 171235656 /nfs/dbraw/zinc/23/56/56/171235656.db2.gz CQNBPNYLHAMBMZ-SSDOTTSWSA-N 1 2 211.269 0.392 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnn2C(F)F)CC1 ZINC000665059200 412074066 /nfs/dbraw/zinc/07/40/66/412074066.db2.gz CFCBGQKRNMSSNQ-UHFFFAOYSA-N 1 2 244.245 0.666 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)CC(=O)N(CC)CC ZINC000061679358 171243161 /nfs/dbraw/zinc/24/31/61/171243161.db2.gz ASYNCAZLCVMKCN-SECBINFHSA-N 1 2 229.324 0.051 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)CC(=O)N(CC)CC ZINC000061679358 171243165 /nfs/dbraw/zinc/24/31/65/171243165.db2.gz ASYNCAZLCVMKCN-SECBINFHSA-N 1 2 229.324 0.051 20 0 BCADLO CCn1cnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000665059297 412075843 /nfs/dbraw/zinc/07/58/43/412075843.db2.gz WVWWDKTWTDQAMJ-UHFFFAOYSA-N 1 2 222.292 0.291 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)NC1CC1)CC(=O)OC ZINC000337264301 171310731 /nfs/dbraw/zinc/31/07/31/171310731.db2.gz XQPIDPSJQXUEKR-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)NC1CC1)CC(=O)OC ZINC000337264301 171310732 /nfs/dbraw/zinc/31/07/32/171310732.db2.gz XQPIDPSJQXUEKR-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356136415 171329084 /nfs/dbraw/zinc/32/90/84/171329084.db2.gz XLPMLJFXMDFUKP-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356136415 171329085 /nfs/dbraw/zinc/32/90/85/171329085.db2.gz XLPMLJFXMDFUKP-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000119855160 171353628 /nfs/dbraw/zinc/35/36/28/171353628.db2.gz GCRUQHJTKMHBBJ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000119855160 171353630 /nfs/dbraw/zinc/35/36/30/171353630.db2.gz GCRUQHJTKMHBBJ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)OCC(=O)NCc1[nH+]ccn1C ZINC000269756279 171353935 /nfs/dbraw/zinc/35/39/35/171353935.db2.gz UVDVXHNOQPVMAQ-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353725662 171369612 /nfs/dbraw/zinc/36/96/12/171369612.db2.gz QNPABEAVPJZFCK-OIBJUYFYSA-N 1 2 237.307 0.063 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)COC)C(=O)OC ZINC000309582139 171374153 /nfs/dbraw/zinc/37/41/53/171374153.db2.gz QQMUQXYTZMLSFX-LPEHRKFASA-N 1 2 233.308 0.171 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298627 412086135 /nfs/dbraw/zinc/08/61/35/412086135.db2.gz QGAHIDQKNWYVLS-MRVPVSSYSA-N 1 2 247.298 0.017 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298627 412086139 /nfs/dbraw/zinc/08/61/39/412086139.db2.gz QGAHIDQKNWYVLS-MRVPVSSYSA-N 1 2 247.298 0.017 20 0 BCADLO C[C@]1(C(F)F)C[N@H+](CCOCCO)CCO1 ZINC000662367866 412125484 /nfs/dbraw/zinc/12/54/84/412125484.db2.gz QYYTTYUNMKFTAQ-SNVBAGLBSA-N 1 2 239.262 0.351 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+](CCOCCO)CCO1 ZINC000662367866 412125485 /nfs/dbraw/zinc/12/54/85/412125485.db2.gz QYYTTYUNMKFTAQ-SNVBAGLBSA-N 1 2 239.262 0.351 20 0 BCADLO Cn1ccc(NCCNc2cc(CO)cc[nH+]2)n1 ZINC000641540735 412126830 /nfs/dbraw/zinc/12/68/30/412126830.db2.gz GHKAHWIGOHURQS-UHFFFAOYSA-N 1 2 247.302 0.831 20 0 BCADLO COCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372666 412129592 /nfs/dbraw/zinc/12/95/92/412129592.db2.gz VNUAXRXRIKNNRE-VIFPVBQESA-N 1 2 209.236 0.989 20 0 BCADLO COCC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372666 412129594 /nfs/dbraw/zinc/12/95/94/412129594.db2.gz VNUAXRXRIKNNRE-VIFPVBQESA-N 1 2 209.236 0.989 20 0 BCADLO Cn1ncc2c1nc(NC[C@H]1CC1(C)C)[nH+]c2N ZINC000333109142 412193063 /nfs/dbraw/zinc/19/30/63/412193063.db2.gz XDBLSWGPVIYYNB-SSDOTTSWSA-N 1 2 246.318 1.404 20 0 BCADLO Cn1ncc2c1nc(NCC1(C)CC1)[nH+]c2N ZINC000333102964 412193245 /nfs/dbraw/zinc/19/32/45/412193245.db2.gz VRIPLGRBMDOTAV-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BCADLO Cn1ncc2c1nc(NCC1COC1)[nH+]c2N ZINC000528225642 412193417 /nfs/dbraw/zinc/19/34/17/412193417.db2.gz JTTBNNQMFRSLTQ-UHFFFAOYSA-N 1 2 234.263 0.004 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1O ZINC000132684984 412197402 /nfs/dbraw/zinc/19/74/02/412197402.db2.gz ABVMCQFTMMTOLS-QWRGUYRKSA-N 1 2 237.303 0.693 20 0 BCADLO CN(C)c1ccc(CNc2cccnn2)c[nH+]1 ZINC000561142572 412197982 /nfs/dbraw/zinc/19/79/82/412197982.db2.gz YFXZAPONZXYFGC-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BCADLO Cn1cc[nH+]c1CNc1nc(C(N)=O)cs1 ZINC000336662860 412144816 /nfs/dbraw/zinc/14/48/16/412144816.db2.gz COKMMGVRLORBCE-UHFFFAOYSA-N 1 2 237.288 0.588 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1nnc(C2CC2)o1 ZINC000624621196 412254324 /nfs/dbraw/zinc/25/43/24/412254324.db2.gz WNSWWPWZXYTYEZ-VIFPVBQESA-N 1 2 238.291 0.690 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1nnc(C2CC2)o1 ZINC000624621196 412254326 /nfs/dbraw/zinc/25/43/26/412254326.db2.gz WNSWWPWZXYTYEZ-VIFPVBQESA-N 1 2 238.291 0.690 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cc2c(nn1)CCC2 ZINC000624619501 412254502 /nfs/dbraw/zinc/25/45/02/412254502.db2.gz DUGXXXOKXUQZQW-NSHDSACASA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cc2c(nn1)CCC2 ZINC000624619501 412254505 /nfs/dbraw/zinc/25/45/05/412254505.db2.gz DUGXXXOKXUQZQW-NSHDSACASA-N 1 2 248.330 0.708 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1nnc(C2CC2)o1 ZINC000624621195 412256477 /nfs/dbraw/zinc/25/64/77/412256477.db2.gz WNSWWPWZXYTYEZ-SECBINFHSA-N 1 2 238.291 0.690 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1nnc(C2CC2)o1 ZINC000624621195 412256480 /nfs/dbraw/zinc/25/64/80/412256480.db2.gz WNSWWPWZXYTYEZ-SECBINFHSA-N 1 2 238.291 0.690 20 0 BCADLO C[C@H]1CC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000553705289 412260465 /nfs/dbraw/zinc/26/04/65/412260465.db2.gz XQRUDRLAESYOJV-XPUUQOCRSA-N 1 2 232.291 1.156 20 0 BCADLO CNC(=O)C[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000450850894 412265052 /nfs/dbraw/zinc/26/50/52/412265052.db2.gz WHUFKINWCBYKKM-ZETCQYMHSA-N 1 2 247.302 1.203 20 0 BCADLO CNC(=O)C[C@H](C)Nc1nc(C)[nH+]cc1C ZINC000569378672 412265245 /nfs/dbraw/zinc/26/52/45/412265245.db2.gz YKVGKKULNOABEI-QMMMGPOBSA-N 1 2 222.292 1.030 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1cc(OC)cc[nH+]1 ZINC000265838769 171603326 /nfs/dbraw/zinc/60/33/26/171603326.db2.gz WOOPLIPEUZNSBG-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000665276207 412219664 /nfs/dbraw/zinc/21/96/64/412219664.db2.gz CLIINESAEGAABZ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000665276207 412219667 /nfs/dbraw/zinc/21/96/67/412219667.db2.gz CLIINESAEGAABZ-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](C3CCC3)C2)n1 ZINC000665290064 412235536 /nfs/dbraw/zinc/23/55/36/412235536.db2.gz ICCFDXAXPUBSHL-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](C3CCC3)C2)n1 ZINC000665290064 412235541 /nfs/dbraw/zinc/23/55/41/412235541.db2.gz ICCFDXAXPUBSHL-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H](O)C1CC1 ZINC000665396387 412306433 /nfs/dbraw/zinc/30/64/33/412306433.db2.gz FSSKOBOWQSYXSN-LBPRGKRZSA-N 1 2 245.282 0.721 20 0 BCADLO CC(C)c1nnc(NCCn2cc[nH+]c2)o1 ZINC000450220507 412323560 /nfs/dbraw/zinc/32/35/60/412323560.db2.gz IQVASKHKCNZGGS-UHFFFAOYSA-N 1 2 221.264 1.502 20 0 BCADLO CC(C)c1nc(NCc2nnn(C)n2)cc[nH+]1 ZINC000571830113 412323812 /nfs/dbraw/zinc/32/38/12/412323812.db2.gz BOCWQKPENLJAII-UHFFFAOYSA-N 1 2 233.279 0.736 20 0 BCADLO CC(C)c1nc(N[C@@H]2CC[C@H]2O)cc[nH+]1 ZINC000382111126 412324466 /nfs/dbraw/zinc/32/44/66/412324466.db2.gz DTYKTZGFRSUUPN-RKDXNWHRSA-N 1 2 207.277 1.535 20 0 BCADLO CC(C)c1nnc(NC[C@@H]2COCC[N@@H+]2C)o1 ZINC000624622360 412324616 /nfs/dbraw/zinc/32/46/16/412324616.db2.gz XJSNGNIRLGLQMJ-SECBINFHSA-N 1 2 240.307 0.936 20 0 BCADLO CC(C)c1nnc(NC[C@@H]2COCC[N@H+]2C)o1 ZINC000624622360 412324620 /nfs/dbraw/zinc/32/46/20/412324620.db2.gz XJSNGNIRLGLQMJ-SECBINFHSA-N 1 2 240.307 0.936 20 0 BCADLO COC(=O)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488390534 412326381 /nfs/dbraw/zinc/32/63/81/412326381.db2.gz NTBFYTIOMFWNKN-UHFFFAOYSA-N 1 2 239.279 0.221 20 0 BCADLO COC(=O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488390534 412326383 /nfs/dbraw/zinc/32/63/83/412326383.db2.gz NTBFYTIOMFWNKN-UHFFFAOYSA-N 1 2 239.279 0.221 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCCCCO)c1 ZINC000596214818 412330597 /nfs/dbraw/zinc/33/05/97/412330597.db2.gz ZLXKUHSNUBMXOE-UHFFFAOYSA-N 1 2 238.287 0.982 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccon1 ZINC000336355850 412340051 /nfs/dbraw/zinc/34/00/51/412340051.db2.gz GZBUVHUZFAIMIE-UHFFFAOYSA-N 1 2 207.193 0.719 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccncc1 ZINC000665531853 412349678 /nfs/dbraw/zinc/34/96/78/412349678.db2.gz QUWOMKJGGDKLLG-GHMZBOCLSA-N 1 2 242.282 0.979 20 0 BCADLO COCCCCNc1cc(CO)cc[nH+]1 ZINC000641295501 412358627 /nfs/dbraw/zinc/35/86/27/412358627.db2.gz LDBVIGKLSMZRCH-UHFFFAOYSA-N 1 2 210.277 1.412 20 0 BCADLO Cc1cc(NC(=O)Nc2ccn(C)n2)c(C)c[nH+]1 ZINC000548161187 412300264 /nfs/dbraw/zinc/30/02/64/412300264.db2.gz JHFZEDTZFDIDLQ-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BCADLO Cc1cc(NC(=O)NCc2[nH+]ccn2C)nn1C ZINC000336622035 412371411 /nfs/dbraw/zinc/37/14/11/412371411.db2.gz JJFXIFCGGGCEIM-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C1CCC1 ZINC000316008391 412409967 /nfs/dbraw/zinc/40/99/67/412409967.db2.gz JTPXWUSSRQZBQF-SNVBAGLBSA-N 1 2 247.302 0.936 20 0 BCADLO CCc1nnc([C@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000309972484 172006084 /nfs/dbraw/zinc/00/60/84/172006084.db2.gz QEMURGIRMMXVEX-ZETCQYMHSA-N 1 2 220.280 0.941 20 0 BCADLO CCc1nnc(C[N@H+](C)CCn2cccn2)o1 ZINC000111279329 172047846 /nfs/dbraw/zinc/04/78/46/172047846.db2.gz OJOUYWFMAKYAFZ-UHFFFAOYSA-N 1 2 235.291 0.961 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCn2cccn2)o1 ZINC000111279329 172047847 /nfs/dbraw/zinc/04/78/47/172047847.db2.gz OJOUYWFMAKYAFZ-UHFFFAOYSA-N 1 2 235.291 0.961 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@H](C)O)o1 ZINC000128422652 172047866 /nfs/dbraw/zinc/04/78/66/172047866.db2.gz IQCNEDISCNUPAM-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@H](C)O)o1 ZINC000128422652 172047867 /nfs/dbraw/zinc/04/78/67/172047867.db2.gz IQCNEDISCNUPAM-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)C2)o1 ZINC000332703303 172049767 /nfs/dbraw/zinc/04/97/67/172049767.db2.gz XNRNRHIBJVXINK-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](OC)C2)o1 ZINC000332703303 172049769 /nfs/dbraw/zinc/04/97/69/172049769.db2.gz XNRNRHIBJVXINK-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)o1 ZINC000308748088 172050643 /nfs/dbraw/zinc/05/06/43/172050643.db2.gz LEDZUDMRPJNJEN-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)o1 ZINC000308748088 172050646 /nfs/dbraw/zinc/05/06/46/172050646.db2.gz LEDZUDMRPJNJEN-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)o1 ZINC000308748089 172051029 /nfs/dbraw/zinc/05/10/29/172051029.db2.gz LEDZUDMRPJNJEN-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)o1 ZINC000308748089 172051030 /nfs/dbraw/zinc/05/10/30/172051030.db2.gz LEDZUDMRPJNJEN-YUMQZZPRSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(SCc2[nH+]ccn2C)n1N ZINC000121405976 172063607 /nfs/dbraw/zinc/06/36/07/172063607.db2.gz NUGZWNGKFRSNAR-UHFFFAOYSA-N 1 2 238.320 0.580 20 0 BCADLO CCc1noc([C@@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000286251408 172088529 /nfs/dbraw/zinc/08/85/29/172088529.db2.gz AQIICXZNMRVMRR-SSDOTTSWSA-N 1 2 226.280 0.500 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000286251408 172088531 /nfs/dbraw/zinc/08/85/31/172088531.db2.gz AQIICXZNMRVMRR-SSDOTTSWSA-N 1 2 226.280 0.500 20 0 BCADLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CC)n1 ZINC000369302736 172092347 /nfs/dbraw/zinc/09/23/47/172092347.db2.gz LLQNJGFVMQQKRT-JGVFFNPUSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CC)n1 ZINC000369302736 172092349 /nfs/dbraw/zinc/09/23/49/172092349.db2.gz LLQNJGFVMQQKRT-JGVFFNPUSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1nocc1C[N@H+](C)CC(=O)N1CCC1 ZINC000293369232 172093937 /nfs/dbraw/zinc/09/39/37/172093937.db2.gz JBELESYQIDTVOQ-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CCc1nocc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000293369232 172093938 /nfs/dbraw/zinc/09/39/38/172093938.db2.gz JBELESYQIDTVOQ-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000353361686 172097129 /nfs/dbraw/zinc/09/71/29/172097129.db2.gz WEHJDXCQEHBYER-PHIMTYICSA-N 1 2 238.287 0.837 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000353361686 172097131 /nfs/dbraw/zinc/09/71/31/172097131.db2.gz WEHJDXCQEHBYER-PHIMTYICSA-N 1 2 238.287 0.837 20 0 BCADLO CCc1onc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000335796990 172125041 /nfs/dbraw/zinc/12/50/41/172125041.db2.gz DFDRQOVHAIJDLR-UHFFFAOYSA-N 1 2 237.303 0.933 20 0 BCADLO CCn1c(C)nnc1CN(C)Cc1[nH+]ccn1C ZINC000330366761 172139763 /nfs/dbraw/zinc/13/97/63/172139763.db2.gz AQCXVASFSHVMBN-UHFFFAOYSA-N 1 2 248.334 0.972 20 0 BCADLO CCn1cc(CC[NH2+]C(C)(C)C(=O)OC)cn1 ZINC000284990730 172160219 /nfs/dbraw/zinc/16/02/19/172160219.db2.gz LAUCEEOHDZJNKE-UHFFFAOYSA-N 1 2 239.319 0.987 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000191781533 172167779 /nfs/dbraw/zinc/16/77/79/172167779.db2.gz LANDJIYBMRJLAX-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000191781533 172167781 /nfs/dbraw/zinc/16/77/81/172167781.db2.gz LANDJIYBMRJLAX-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000174619155 172184253 /nfs/dbraw/zinc/18/42/53/172184253.db2.gz FSPLCBIGEQDGOA-SNVBAGLBSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000174619155 172184256 /nfs/dbraw/zinc/18/42/56/172184256.db2.gz FSPLCBIGEQDGOA-SNVBAGLBSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1cc[nH+]c1CN(CCO)CC(F)F ZINC000194863722 172221065 /nfs/dbraw/zinc/22/10/65/172221065.db2.gz MBBDWMSTHACXCO-UHFFFAOYSA-N 1 2 233.262 0.962 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccc(=O)[nH]c1 ZINC000295759477 172221551 /nfs/dbraw/zinc/22/15/51/172221551.db2.gz OCAAIAWIOPWINP-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cncc(O)c1 ZINC000295774563 172221947 /nfs/dbraw/zinc/22/19/47/172221947.db2.gz PLHAMPQROFOBLI-UHFFFAOYSA-N 1 2 246.270 0.934 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnsn1 ZINC000295796355 172222715 /nfs/dbraw/zinc/22/27/15/172222715.db2.gz RJLZJVXVMAUBFS-UHFFFAOYSA-N 1 2 237.288 0.685 20 0 BCADLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(N)=O ZINC000280701238 172230459 /nfs/dbraw/zinc/23/04/59/172230459.db2.gz ANHZJOWASGARGY-SNVBAGLBSA-N 1 2 236.319 0.915 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000276283865 172260554 /nfs/dbraw/zinc/26/05/54/172260554.db2.gz GJAMAFDQDNMCFR-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000276283865 172260556 /nfs/dbraw/zinc/26/05/56/172260556.db2.gz GJAMAFDQDNMCFR-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000271182903 172263055 /nfs/dbraw/zinc/26/30/55/172263055.db2.gz IGOHIWHGDFJKEJ-NSHDSACASA-N 1 2 236.319 0.566 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000271182903 172263057 /nfs/dbraw/zinc/26/30/57/172263057.db2.gz IGOHIWHGDFJKEJ-NSHDSACASA-N 1 2 236.319 0.566 20 0 BCADLO CCn1nccc1C[N@@H+]1CCO[C@@H](COC)C1 ZINC000179802254 172267013 /nfs/dbraw/zinc/26/70/13/172267013.db2.gz YDWYTUVBCJERKF-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1nccc1C[N@H+]1CCO[C@@H](COC)C1 ZINC000179802254 172267017 /nfs/dbraw/zinc/26/70/17/172267017.db2.gz YDWYTUVBCJERKF-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291981269 172280273 /nfs/dbraw/zinc/28/02/73/172280273.db2.gz WGNLUIAVXYGJFR-NSHDSACASA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291981269 172280276 /nfs/dbraw/zinc/28/02/76/172280276.db2.gz WGNLUIAVXYGJFR-NSHDSACASA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000095020343 172280389 /nfs/dbraw/zinc/28/03/89/172280389.db2.gz RZEKPCPACUKPOH-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000095020343 172280393 /nfs/dbraw/zinc/28/03/93/172280393.db2.gz RZEKPCPACUKPOH-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336775479 172281370 /nfs/dbraw/zinc/28/13/70/172281370.db2.gz ZEFKGOPRBTUBPE-NXEZZACHSA-N 1 2 223.324 0.338 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336775482 172283645 /nfs/dbraw/zinc/28/36/45/172283645.db2.gz ZEFKGOPRBTUBPE-ZJUUUORDSA-N 1 2 223.324 0.338 20 0 BCADLO CN(C(=O)NCc1[nH+]ccn1C)C1CC(O)C1 ZINC000331547764 172321919 /nfs/dbraw/zinc/32/19/19/172321919.db2.gz VFMHEAKMPGWTSG-UHFFFAOYSA-N 1 2 238.291 0.085 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189942286 172370336 /nfs/dbraw/zinc/37/03/36/172370336.db2.gz LAWOGAYQJYAHPB-UHFFFAOYSA-N 1 2 239.323 0.211 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccno2)C1 ZINC000296804744 172382614 /nfs/dbraw/zinc/38/26/14/172382614.db2.gz RDEXMEGEWZFKNM-VIFPVBQESA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000296804744 172382618 /nfs/dbraw/zinc/38/26/18/172382618.db2.gz RDEXMEGEWZFKNM-VIFPVBQESA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000122603614 172384022 /nfs/dbraw/zinc/38/40/22/172384022.db2.gz AJRKYXMFPFSAGA-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000122603614 172384024 /nfs/dbraw/zinc/38/40/24/172384024.db2.gz AJRKYXMFPFSAGA-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191924021 172386846 /nfs/dbraw/zinc/38/68/46/172386846.db2.gz IDCNEIBMGCPIRI-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cocn1 ZINC000191924021 172386848 /nfs/dbraw/zinc/38/68/48/172386848.db2.gz IDCNEIBMGCPIRI-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329754895 172927904 /nfs/dbraw/zinc/92/79/04/172927904.db2.gz XQXCMAPVJGCFCG-JOYOIKCWSA-N 1 2 235.287 0.795 20 0 BCADLO CN1CCC[N@H+](Cc2ccc(F)cn2)CC1=O ZINC000375507616 173018121 /nfs/dbraw/zinc/01/81/21/173018121.db2.gz PORAYRQDWFTCSU-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CCC[N@@H+](Cc2ccc(F)cn2)CC1=O ZINC000375507616 173018122 /nfs/dbraw/zinc/01/81/22/173018122.db2.gz PORAYRQDWFTCSU-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2cocn2)C1=O ZINC000308969250 173045812 /nfs/dbraw/zinc/04/58/12/173045812.db2.gz YBDGTJHIUOTQCM-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2OC[C@H]3CCC[C@H]23)CC1 ZINC000368133196 173070736 /nfs/dbraw/zinc/07/07/36/173070736.db2.gz TXJOVRDTGBFTMN-GRYCIOLGSA-N 1 2 238.331 0.576 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000037760406 173072365 /nfs/dbraw/zinc/07/23/65/173072365.db2.gz RINJQLYYNHEBKY-UHFFFAOYSA-N 1 2 221.260 0.175 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000184658748 173084776 /nfs/dbraw/zinc/08/47/76/173084776.db2.gz ABYZFRVEMMICIU-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000184658748 173084779 /nfs/dbraw/zinc/08/47/79/173084779.db2.gz ABYZFRVEMMICIU-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CN1CCN(Cc2cn3ccccc3[nH+]2)CC1=O ZINC000119258508 173089100 /nfs/dbraw/zinc/08/91/00/173089100.db2.gz DKJBIMYQGVLNEX-UHFFFAOYSA-N 1 2 244.298 0.608 20 0 BCADLO C[NH+]1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000044116665 173092396 /nfs/dbraw/zinc/09/23/96/173092396.db2.gz NQPHDQYUMVRCGB-ZIAGYGMSSA-N 1 2 232.327 0.892 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ncccc2O)C1 ZINC000081930982 173100442 /nfs/dbraw/zinc/10/04/42/173100442.db2.gz XYOQLZYBUAQKGM-SECBINFHSA-N 1 2 237.259 0.056 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ncccc2O)C1 ZINC000081930982 173100445 /nfs/dbraw/zinc/10/04/45/173100445.db2.gz XYOQLZYBUAQKGM-SECBINFHSA-N 1 2 237.259 0.056 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccncc2)C1 ZINC000174449443 173100944 /nfs/dbraw/zinc/10/09/44/173100944.db2.gz HVZRGEFAJXZUQP-SNVBAGLBSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccncc2)C1 ZINC000174449443 173100946 /nfs/dbraw/zinc/10/09/46/173100946.db2.gz HVZRGEFAJXZUQP-SNVBAGLBSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2)C1 ZINC000264892909 173102199 /nfs/dbraw/zinc/10/21/99/173102199.db2.gz VSVULMHKKPNBAW-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2)C1 ZINC000264892909 173102200 /nfs/dbraw/zinc/10/22/00/173102200.db2.gz VSVULMHKKPNBAW-LBPRGKRZSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N)cc2)C1 ZINC000083888789 173103157 /nfs/dbraw/zinc/10/31/57/173103157.db2.gz CXYREUAPSAZSBU-LBPRGKRZSA-N 1 2 249.314 0.329 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N)cc2)C1 ZINC000083888789 173103159 /nfs/dbraw/zinc/10/31/59/173103159.db2.gz CXYREUAPSAZSBU-LBPRGKRZSA-N 1 2 249.314 0.329 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000174373465 173107695 /nfs/dbraw/zinc/10/76/95/173107695.db2.gz VMLAJCFDHOBPBR-ZDUSSCGKSA-N 1 2 246.310 0.906 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000174373465 173107697 /nfs/dbraw/zinc/10/76/97/173107697.db2.gz VMLAJCFDHOBPBR-ZDUSSCGKSA-N 1 2 246.310 0.906 20 0 BCADLO CN1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000150925758 173126063 /nfs/dbraw/zinc/12/60/63/173126063.db2.gz IDILPVFMTPGIMD-SECBINFHSA-N 1 2 232.287 0.997 20 0 BCADLO CN1C[C@@H]2C[N@H+](Cc3cncnc3)CCN2C1=O ZINC000376049044 173188100 /nfs/dbraw/zinc/18/81/00/173188100.db2.gz XQFSLHXEHOGQQZ-LLVKDONJSA-N 1 2 247.302 0.028 20 0 BCADLO CN1C[C@@H]2C[N@@H+](Cc3cncnc3)CCN2C1=O ZINC000376049044 173188103 /nfs/dbraw/zinc/18/81/03/173188103.db2.gz XQFSLHXEHOGQQZ-LLVKDONJSA-N 1 2 247.302 0.028 20 0 BCADLO CN1C[C@@H]2C[N@H+](Cc3ccccn3)CCN2C1=O ZINC000373234158 173188264 /nfs/dbraw/zinc/18/82/64/173188264.db2.gz XLQSDRCQLLQURN-GFCCVEGCSA-N 1 2 246.314 0.633 20 0 BCADLO CN1C[C@@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000373234158 173188266 /nfs/dbraw/zinc/18/82/66/173188266.db2.gz XLQSDRCQLLQURN-GFCCVEGCSA-N 1 2 246.314 0.633 20 0 BCADLO CN1C[C@H]2C[N@H+](Cc3cncnc3)CCN2C1=O ZINC000376049045 173197522 /nfs/dbraw/zinc/19/75/22/173197522.db2.gz XQFSLHXEHOGQQZ-NSHDSACASA-N 1 2 247.302 0.028 20 0 BCADLO CN1C[C@H]2C[N@@H+](Cc3cncnc3)CCN2C1=O ZINC000376049045 173197523 /nfs/dbraw/zinc/19/75/23/173197523.db2.gz XQFSLHXEHOGQQZ-NSHDSACASA-N 1 2 247.302 0.028 20 0 BCADLO CNC(=O)CCCN(C)c1cc[nH+]c(C)n1 ZINC000157684933 173239269 /nfs/dbraw/zinc/23/92/69/173239269.db2.gz YZVMKBSHCSRREY-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO CNC(=O)CCC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289385473 173239683 /nfs/dbraw/zinc/23/96/83/173239683.db2.gz QDUJBTWQBCEHBX-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CNC(=O)CCC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289385473 173239684 /nfs/dbraw/zinc/23/96/84/173239684.db2.gz QDUJBTWQBCEHBX-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO CNC(=O)CCNc1nc[nH+]c(N)c1Cl ZINC000234334715 173261843 /nfs/dbraw/zinc/26/18/43/173261843.db2.gz RQCHZXHCPUOJNP-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO CNC(=O)CCNc1[nH+]cnc(N)c1Cl ZINC000234334715 173261844 /nfs/dbraw/zinc/26/18/44/173261844.db2.gz RQCHZXHCPUOJNP-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000330956638 173269318 /nfs/dbraw/zinc/26/93/18/173269318.db2.gz UYUTXGCPLAZZTK-QMMMGPOBSA-N 1 2 208.265 0.215 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000330956638 173269322 /nfs/dbraw/zinc/26/93/22/173269322.db2.gz UYUTXGCPLAZZTK-QMMMGPOBSA-N 1 2 208.265 0.215 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180434398 173269411 /nfs/dbraw/zinc/26/94/11/173269411.db2.gz FJDGVJCWLRKTCG-MRVPVSSYSA-N 1 2 210.281 0.159 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180434398 173269416 /nfs/dbraw/zinc/26/94/16/173269416.db2.gz FJDGVJCWLRKTCG-MRVPVSSYSA-N 1 2 210.281 0.159 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000263801372 173270356 /nfs/dbraw/zinc/27/03/56/173270356.db2.gz ODQZJZUWGXJHSQ-UHFFFAOYSA-N 1 2 240.259 0.244 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000263801372 173270358 /nfs/dbraw/zinc/27/03/58/173270358.db2.gz ODQZJZUWGXJHSQ-UHFFFAOYSA-N 1 2 240.259 0.244 20 0 BCADLO CNC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000272950649 173273419 /nfs/dbraw/zinc/27/34/19/173273419.db2.gz XPTZJOVPPNBSBR-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CNC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000272950649 173273420 /nfs/dbraw/zinc/27/34/20/173273420.db2.gz XPTZJOVPPNBSBR-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369302935 173275383 /nfs/dbraw/zinc/27/53/83/173275383.db2.gz MPRLJUXIQLBNFL-UMNHJUIQSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369302935 173275384 /nfs/dbraw/zinc/27/53/84/173275384.db2.gz MPRLJUXIQLBNFL-UMNHJUIQSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)CSc1[nH+]cnc2[nH]ccc21 ZINC000335716832 173280324 /nfs/dbraw/zinc/28/03/24/173280324.db2.gz HGVJFXBXWPAAKM-UHFFFAOYSA-N 1 2 222.273 0.796 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+](C)CC(F)F ZINC000103488272 173285843 /nfs/dbraw/zinc/28/58/43/173285843.db2.gz IYEUODHKLYVRPI-UHFFFAOYSA-N 1 2 223.223 0.029 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+](C)CC(F)F ZINC000103488272 173285844 /nfs/dbraw/zinc/28/58/44/173285844.db2.gz IYEUODHKLYVRPI-UHFFFAOYSA-N 1 2 223.223 0.029 20 0 BCADLO CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336606767 173285935 /nfs/dbraw/zinc/28/59/35/173285935.db2.gz KXUFLNQCDJCMDL-JTQLQIEISA-N 1 2 221.260 0.874 20 0 BCADLO CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000336320183 173290265 /nfs/dbraw/zinc/29/02/65/173290265.db2.gz OKVGBVSITDXPIG-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CNC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000341547648 173292104 /nfs/dbraw/zinc/29/21/04/173292104.db2.gz IOWVZXHFUCGIOS-SECBINFHSA-N 1 2 235.291 0.293 20 0 BCADLO CNC(=O)[C@@H](Nc1cc(C)[nH+]cn1)C(C)C ZINC000301765541 173296676 /nfs/dbraw/zinc/29/66/76/173296676.db2.gz HFRZFANCNDWNDK-JTQLQIEISA-N 1 2 222.292 0.968 20 0 BCADLO CNC(=O)[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC000309621282 173296850 /nfs/dbraw/zinc/29/68/50/173296850.db2.gz FGBYNPXNOOSCMN-JTQLQIEISA-N 1 2 222.292 0.968 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncn1C ZINC000177006188 173297695 /nfs/dbraw/zinc/29/76/95/173297695.db2.gz PHNZTRMVRQOJAZ-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cncn1C ZINC000177006188 173297696 /nfs/dbraw/zinc/29/76/96/173297696.db2.gz PHNZTRMVRQOJAZ-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCCN1Cc1[nH+]ccn1C ZINC000104668583 173297843 /nfs/dbraw/zinc/29/78/43/173297843.db2.gz MXRQIRQYAFEJIR-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1conc1C ZINC000295509655 173299063 /nfs/dbraw/zinc/29/90/63/173299063.db2.gz YZTFRUVWTZUHRG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1conc1C ZINC000295509655 173299064 /nfs/dbraw/zinc/29/90/64/173299064.db2.gz YZTFRUVWTZUHRG-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092100136 173299100 /nfs/dbraw/zinc/29/91/00/173299100.db2.gz ZEAZHWHGCSQXGT-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000092100136 173299101 /nfs/dbraw/zinc/29/91/01/173299101.db2.gz ZEAZHWHGCSQXGT-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000190013204 173300257 /nfs/dbraw/zinc/30/02/57/173300257.db2.gz ZXBSUTGRKVUPBE-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000190013204 173300258 /nfs/dbraw/zinc/30/02/58/173300258.db2.gz ZXBSUTGRKVUPBE-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000282121381 173300750 /nfs/dbraw/zinc/30/07/50/173300750.db2.gz ZTPZNPPMGXPOPH-LBPRGKRZSA-N 1 2 234.303 0.747 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cn[nH]c1C ZINC000093899740 173301418 /nfs/dbraw/zinc/30/14/18/173301418.db2.gz WBLASBRGRBXUDW-MRVPVSSYSA-N 1 2 224.308 0.532 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cn[nH]c1C ZINC000093899740 173301419 /nfs/dbraw/zinc/30/14/19/173301419.db2.gz WBLASBRGRBXUDW-MRVPVSSYSA-N 1 2 224.308 0.532 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000184051967 173308250 /nfs/dbraw/zinc/30/82/50/173308250.db2.gz CMKWJTVZDYHNRK-UFUPEUMYSA-N 1 2 218.684 0.186 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000184051967 173308251 /nfs/dbraw/zinc/30/82/51/173308251.db2.gz CMKWJTVZDYHNRK-UFUPEUMYSA-N 1 2 218.684 0.186 20 0 BCADLO COC(=O)C1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000290925480 173507896 /nfs/dbraw/zinc/50/78/96/173507896.db2.gz LHFONUISZJVIRE-UHFFFAOYSA-N 1 2 249.270 0.179 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cscn1 ZINC000259753758 173575791 /nfs/dbraw/zinc/57/57/91/173575791.db2.gz UGNJYOYWGUUBFE-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cscn1 ZINC000259753758 173575794 /nfs/dbraw/zinc/57/57/94/173575794.db2.gz UGNJYOYWGUUBFE-UHFFFAOYSA-N 1 2 214.290 0.790 20 0 BCADLO COC(=O)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276580473 173571496 /nfs/dbraw/zinc/57/14/96/173571496.db2.gz MAJRXXWBGSXHPJ-ONEGZZNKSA-N 1 2 223.232 0.054 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000356755514 173666981 /nfs/dbraw/zinc/66/69/81/173666981.db2.gz RBEZSCPXPYXMFT-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO COC1(C(=O)N(C)Cc2[nH+]ccn2C)CCC1 ZINC000272794648 173967506 /nfs/dbraw/zinc/96/75/06/173967506.db2.gz COZNICZPEITXSS-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO COC1CC(N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000340834093 174015867 /nfs/dbraw/zinc/01/58/67/174015867.db2.gz NWMQOLAHQVPPKW-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO COCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155021469 174037054 /nfs/dbraw/zinc/03/70/54/174037054.db2.gz WEPNJYJUOHXEJJ-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO COCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000059888237 174052358 /nfs/dbraw/zinc/05/23/58/174052358.db2.gz UQKGOZUCAHRRTP-UHFFFAOYSA-N 1 2 233.271 0.905 20 0 BCADLO COCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330995178 174054338 /nfs/dbraw/zinc/05/43/38/174054338.db2.gz IDWTYYROVZXVEY-SECBINFHSA-N 1 2 211.265 0.869 20 0 BCADLO COCC1=CC[N@@H+]([C@@H](C)C(=O)OC)CC1 ZINC000185822097 174117664 /nfs/dbraw/zinc/11/76/64/174117664.db2.gz QDIMBUZYQCENQH-VIFPVBQESA-N 1 2 213.277 0.826 20 0 BCADLO COCC1=CC[N@H+]([C@@H](C)C(=O)OC)CC1 ZINC000185822097 174117666 /nfs/dbraw/zinc/11/76/66/174117666.db2.gz QDIMBUZYQCENQH-VIFPVBQESA-N 1 2 213.277 0.826 20 0 BCADLO COCCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367261424 174125494 /nfs/dbraw/zinc/12/54/94/174125494.db2.gz ZNPXYHBOJIHQDH-GFCCVEGCSA-N 1 2 249.314 0.591 20 0 BCADLO COCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374702358 174126675 /nfs/dbraw/zinc/12/66/75/174126675.db2.gz RVBKKKYLUXMPBQ-UHFFFAOYSA-N 1 2 223.276 0.570 20 0 BCADLO COCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277400 174134907 /nfs/dbraw/zinc/13/49/07/174134907.db2.gz AJZRCGOLBJRVND-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO COCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277400 174134910 /nfs/dbraw/zinc/13/49/10/174134910.db2.gz AJZRCGOLBJRVND-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO COCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330833902 174146762 /nfs/dbraw/zinc/14/67/62/174146762.db2.gz VZYROYNWFVVRLZ-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330833902 174146764 /nfs/dbraw/zinc/14/67/64/174146764.db2.gz VZYROYNWFVVRLZ-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000358123326 174172404 /nfs/dbraw/zinc/17/24/04/174172404.db2.gz OFPYVXIFQHKUAV-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO COCCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364029380 174212319 /nfs/dbraw/zinc/21/23/19/174212319.db2.gz NEKFBZLJRINIAP-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO COCCC[N@H+](CCO)Cc1cscn1 ZINC000189873851 174223403 /nfs/dbraw/zinc/22/34/03/174223403.db2.gz RGUCXSVHVCWGHC-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO COCCC[N@@H+](CCO)Cc1cscn1 ZINC000189873851 174223404 /nfs/dbraw/zinc/22/34/04/174223404.db2.gz RGUCXSVHVCWGHC-UHFFFAOYSA-N 1 2 230.333 0.974 20 0 BCADLO COCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298109003 174283431 /nfs/dbraw/zinc/28/34/31/174283431.db2.gz AXHKNKKIOQNEQP-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO COCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298109003 174283433 /nfs/dbraw/zinc/28/34/33/174283433.db2.gz AXHKNKKIOQNEQP-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H]1CCC=CO1 ZINC000193960950 174286287 /nfs/dbraw/zinc/28/62/87/174286287.db2.gz SNHSYGPWLFPFLI-LLVKDONJSA-N 1 2 243.303 0.801 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H]1CCC=CO1 ZINC000193960950 174286288 /nfs/dbraw/zinc/28/62/88/174286288.db2.gz SNHSYGPWLFPFLI-LLVKDONJSA-N 1 2 243.303 0.801 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H](O)C(C)C ZINC000340276050 174286674 /nfs/dbraw/zinc/28/66/74/174286674.db2.gz BXESCKJZQPTAEN-JTQLQIEISA-N 1 2 233.308 0.125 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H](O)C(C)C ZINC000340276050 174286675 /nfs/dbraw/zinc/28/66/75/174286675.db2.gz BXESCKJZQPTAEN-JTQLQIEISA-N 1 2 233.308 0.125 20 0 BCADLO COCC[N@H+](CCO)Cc1csc(C)n1 ZINC000125224434 174294628 /nfs/dbraw/zinc/29/46/28/174294628.db2.gz NNEGUEHOJOUCOG-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO COCC[N@@H+](CCO)Cc1csc(C)n1 ZINC000125224434 174294629 /nfs/dbraw/zinc/29/46/29/174294629.db2.gz NNEGUEHOJOUCOG-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO COCC[N@H+](CCO)Cc1cscn1 ZINC000122640702 174294751 /nfs/dbraw/zinc/29/47/51/174294751.db2.gz YQRHSDJZQSBLQU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO COCC[N@@H+](CCO)Cc1cscn1 ZINC000122640702 174294753 /nfs/dbraw/zinc/29/47/53/174294753.db2.gz YQRHSDJZQSBLQU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO COCC[N@H+](CCO)Cc1ccn(C(C)C)n1 ZINC000134752830 174294975 /nfs/dbraw/zinc/29/49/75/174294975.db2.gz XYRWWOKHNBHURK-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO COCC[N@@H+](CCO)Cc1ccn(C(C)C)n1 ZINC000134752830 174294976 /nfs/dbraw/zinc/29/49/76/174294976.db2.gz XYRWWOKHNBHURK-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO COCC[N@H+](CCO)Cc1ncc(C)cn1 ZINC000336703461 174295337 /nfs/dbraw/zinc/29/53/37/174295337.db2.gz ALYIIALEUZSSSC-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO COCC[N@@H+](CCO)Cc1ncc(C)cn1 ZINC000336703461 174295338 /nfs/dbraw/zinc/29/53/38/174295338.db2.gz ALYIIALEUZSSSC-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO COCC[N@H+](Cc1ccc(C)o1)[C@H](C)C(N)=O ZINC000093137713 174299932 /nfs/dbraw/zinc/29/99/32/174299932.db2.gz SPFVFEFQAKRQQC-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1ccc(C)o1)[C@H](C)C(N)=O ZINC000093137713 174299934 /nfs/dbraw/zinc/29/99/34/174299934.db2.gz SPFVFEFQAKRQQC-SNVBAGLBSA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@H+](Cc1conc1C)[C@@H](C)C(N)=O ZINC000295363179 174300269 /nfs/dbraw/zinc/30/02/69/174300269.db2.gz NWTJNIRCOYVZEV-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1conc1C)[C@@H](C)C(N)=O ZINC000295363179 174300272 /nfs/dbraw/zinc/30/02/72/174300272.db2.gz NWTJNIRCOYVZEV-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@H+](Cc1cncs1)[C@@H](C)C(N)=O ZINC000093137511 174300789 /nfs/dbraw/zinc/30/07/89/174300789.db2.gz CFOADDIQOKNDKU-QMMMGPOBSA-N 1 2 243.332 0.465 20 0 BCADLO COCC[N@@H+](Cc1cncs1)[C@@H](C)C(N)=O ZINC000093137511 174300791 /nfs/dbraw/zinc/30/07/91/174300791.db2.gz CFOADDIQOKNDKU-QMMMGPOBSA-N 1 2 243.332 0.465 20 0 BCADLO COCC[N@H+](Cc1cncs1)[C@H](C)C(N)=O ZINC000093137513 174301325 /nfs/dbraw/zinc/30/13/25/174301325.db2.gz CFOADDIQOKNDKU-MRVPVSSYSA-N 1 2 243.332 0.465 20 0 BCADLO COCC[N@@H+](Cc1cncs1)[C@H](C)C(N)=O ZINC000093137513 174301327 /nfs/dbraw/zinc/30/13/27/174301327.db2.gz CFOADDIQOKNDKU-MRVPVSSYSA-N 1 2 243.332 0.465 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC000105316608 174308308 /nfs/dbraw/zinc/30/83/08/174308308.db2.gz LLJZXJMCPKPJGU-UHFFFAOYSA-N 1 2 239.275 0.079 20 0 BCADLO COCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000307546050 174315983 /nfs/dbraw/zinc/31/59/83/174315983.db2.gz YWUWDCYGKBYXTJ-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO COCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000307546050 174315984 /nfs/dbraw/zinc/31/59/84/174315984.db2.gz YWUWDCYGKBYXTJ-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO COCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370607045 174326359 /nfs/dbraw/zinc/32/63/59/174326359.db2.gz SIMGFEGRYKPMHM-MRVPVSSYSA-N 1 2 223.276 0.592 20 0 BCADLO COCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000370607045 174326360 /nfs/dbraw/zinc/32/63/60/174326360.db2.gz SIMGFEGRYKPMHM-MRVPVSSYSA-N 1 2 223.276 0.592 20 0 BCADLO COCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302544333 174341982 /nfs/dbraw/zinc/34/19/82/174341982.db2.gz IHRDPOGPXPWEFJ-UHFFFAOYSA-N 1 2 222.252 0.004 20 0 BCADLO COCCOC(=O)CSCCn1cc[nH+]c1 ZINC000278255345 174343567 /nfs/dbraw/zinc/34/35/67/174343567.db2.gz CLKUMYWPZXDGJH-UHFFFAOYSA-N 1 2 244.316 0.806 20 0 BCADLO COCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC000288580735 174352424 /nfs/dbraw/zinc/35/24/24/174352424.db2.gz CEFPRDOGYBOAGX-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO COCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC000288580735 174352426 /nfs/dbraw/zinc/35/24/26/174352426.db2.gz CEFPRDOGYBOAGX-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO COCCOCCN(C)c1cc(C)[nH+]cn1 ZINC000341066365 174353445 /nfs/dbraw/zinc/35/34/45/174353445.db2.gz HVOTVQVKNAPVII-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COCC[C@@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000309059282 174386382 /nfs/dbraw/zinc/38/63/82/174386382.db2.gz VSAVOQKHJZHOAU-RKDXNWHRSA-N 1 2 219.281 0.189 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccco1 ZINC000184522949 174486270 /nfs/dbraw/zinc/48/62/70/174486270.db2.gz XOJQILPZLQYCPG-JGVFFNPUSA-N 1 2 212.249 0.431 20 0 BCADLO CO[C@H](C)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000285257477 174820131 /nfs/dbraw/zinc/82/01/31/174820131.db2.gz ZMRXQTXXXHPXDC-SNVBAGLBSA-N 1 2 240.307 0.559 20 0 BCADLO CO[C@H](C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000189382519 174831609 /nfs/dbraw/zinc/83/16/09/174831609.db2.gz ABVLBGHXRITTEZ-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO COc1cccc(C[N@H+](C)[C@H]2CCNC2=O)n1 ZINC000340221962 175254944 /nfs/dbraw/zinc/25/49/44/175254944.db2.gz SGGYYIBLLAKTJU-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000340221962 175254945 /nfs/dbraw/zinc/25/49/45/175254945.db2.gz SGGYYIBLLAKTJU-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC000074448409 175301027 /nfs/dbraw/zinc/30/10/27/175301027.db2.gz FNCLFTMWULQLHW-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1cccc2c1CC[N@H+]([C@H](C)C(N)=O)C2 ZINC000074448409 175301028 /nfs/dbraw/zinc/30/10/28/175301028.db2.gz FNCLFTMWULQLHW-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)C2)c1 ZINC000106859405 175358357 /nfs/dbraw/zinc/35/83/57/175358357.db2.gz HFXRCIQNFIDJIX-UHFFFAOYSA-N 1 2 221.260 0.022 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)NCC2(C)C)c1 ZINC000282467658 175358772 /nfs/dbraw/zinc/35/87/72/175358772.db2.gz GGQHZNLZBCMFJB-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(NCC[NH+]2CCOCC2)n1 ZINC000070789645 175364727 /nfs/dbraw/zinc/36/47/27/175364727.db2.gz SVWRTDYMEYFRTG-UHFFFAOYSA-N 1 2 238.291 0.229 20 0 BCADLO COc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000122220040 175366122 /nfs/dbraw/zinc/36/61/22/175366122.db2.gz YMDHKPXMXVXSPD-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000122220040 175366123 /nfs/dbraw/zinc/36/61/23/175366123.db2.gz YMDHKPXMXVXSPD-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)CC(C)(C)O ZINC000294503369 175369814 /nfs/dbraw/zinc/36/98/14/175369814.db2.gz KLINVCRDJCFNFQ-UHFFFAOYSA-N 1 2 238.287 0.867 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C1(C)COC1 ZINC000294430448 175370972 /nfs/dbraw/zinc/37/09/72/175370972.db2.gz GEMWTPLAEASURJ-UHFFFAOYSA-N 1 2 236.271 0.743 20 0 BCADLO COc1cc[nH+]cc1CNS(=O)(=O)C1CC1 ZINC000293042326 175371373 /nfs/dbraw/zinc/37/13/73/175371373.db2.gz RIXBMSMCEIMPPJ-UHFFFAOYSA-N 1 2 242.300 0.672 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cncn1C ZINC000294623333 175371835 /nfs/dbraw/zinc/37/18/35/175371835.db2.gz OWUZRNZGPDPHCY-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCCO1 ZINC000293452736 175372486 /nfs/dbraw/zinc/37/24/86/175372486.db2.gz UYLDCBMYBRVVCP-LLVKDONJSA-N 1 2 236.271 0.885 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000131453116 175375217 /nfs/dbraw/zinc/37/52/17/175375217.db2.gz YBZHXJFIUFKOBY-MRVPVSSYSA-N 1 2 249.270 0.507 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000132880887 175375658 /nfs/dbraw/zinc/37/56/58/175375658.db2.gz GAEKPSLEIFOBBM-ZETCQYMHSA-N 1 2 235.243 0.307 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000076098307 175375838 /nfs/dbraw/zinc/37/58/38/175375838.db2.gz XAESXZQGFOGCIP-YUMQZZPRSA-N 1 2 249.270 0.553 20 0 BCADLO COc1cncc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000290165596 175385875 /nfs/dbraw/zinc/38/58/75/175385875.db2.gz DLVGFYTZQFAFKY-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cncc(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000290165596 175385877 /nfs/dbraw/zinc/38/58/77/175385877.db2.gz DLVGFYTZQFAFKY-LBPRGKRZSA-N 1 2 249.314 0.930 20 0 BCADLO COc1n[nH]c(NC(=O)CCn2cc[nH+]c2)n1 ZINC000129511502 175394161 /nfs/dbraw/zinc/39/41/61/175394161.db2.gz BPMZBMIEXKWHBN-UHFFFAOYSA-N 1 2 236.235 0.039 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCn2nncc2C1 ZINC000668294855 487630823 /nfs/dbraw/zinc/63/08/23/487630823.db2.gz FAXHZPIAPIZJJY-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1nccc1C[N@H+]1CCn2nncc2C1 ZINC000668294855 487630829 /nfs/dbraw/zinc/63/08/29/487630829.db2.gz FAXHZPIAPIZJJY-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO Cc1ccc(NC(=O)Cn2cncn2)c(C)[nH+]1 ZINC000674837588 487632247 /nfs/dbraw/zinc/63/22/47/487632247.db2.gz AXOLPALJLHMSLM-UHFFFAOYSA-N 1 2 231.259 0.929 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c[nH]1 ZINC000093420679 176011041 /nfs/dbraw/zinc/01/10/41/176011041.db2.gz NCCNDSQQMVWFEH-BDAKNGLRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH]c[nH+]1 ZINC000093420679 176011043 /nfs/dbraw/zinc/01/10/43/176011043.db2.gz NCCNDSQQMVWFEH-BDAKNGLRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NC(N)=O ZINC000091704311 176026412 /nfs/dbraw/zinc/02/64/12/176026412.db2.gz MEIQPFAWPBBOTF-QMMMGPOBSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NC(N)=O ZINC000091704311 176026415 /nfs/dbraw/zinc/02/64/15/176026415.db2.gz MEIQPFAWPBBOTF-QMMMGPOBSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@@H](c1cnccn1)[NH+]1CCN(CC(N)=O)CC1 ZINC000330966451 176037099 /nfs/dbraw/zinc/03/70/99/176037099.db2.gz CZHVPMCLKRIXMU-JTQLQIEISA-N 1 2 249.318 0.690 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2ncccc2C1 ZINC000368332846 176040313 /nfs/dbraw/zinc/04/03/13/176040313.db2.gz RLDJBSMZPLCBMO-VIFPVBQESA-N 1 2 244.302 0.724 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2ncccc2C1 ZINC000368332846 176040315 /nfs/dbraw/zinc/04/03/15/176040315.db2.gz RLDJBSMZPLCBMO-VIFPVBQESA-N 1 2 244.302 0.724 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000329885635 176041102 /nfs/dbraw/zinc/04/11/02/176041102.db2.gz UXRRVCVXZUPJMN-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000329885635 176041103 /nfs/dbraw/zinc/04/11/03/176041103.db2.gz UXRRVCVXZUPJMN-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H]1C(=O)NCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329246668 176047239 /nfs/dbraw/zinc/04/72/39/176047239.db2.gz RFRWGYNCKUVWGH-MRVPVSSYSA-N 1 2 236.275 0.530 20 0 BCADLO C[C@@H]1C(=O)NCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329246668 176047240 /nfs/dbraw/zinc/04/72/40/176047240.db2.gz RFRWGYNCKUVWGH-MRVPVSSYSA-N 1 2 236.275 0.530 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000372385854 176049428 /nfs/dbraw/zinc/04/94/28/176049428.db2.gz RNFMHPOYBGEOFA-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NC(C)(C)C ZINC000372385854 176049429 /nfs/dbraw/zinc/04/94/29/176049429.db2.gz RNFMHPOYBGEOFA-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)=NO1 ZINC000284455115 176053609 /nfs/dbraw/zinc/05/36/09/176053609.db2.gz RIPVNMFRTIFBMI-TYWZFMJISA-N 1 2 220.232 0.661 20 0 BCADLO C[C@@H]1CC(NC(=O)CCc2c[nH+]cn2C)=NO1 ZINC000281079742 176054031 /nfs/dbraw/zinc/05/40/31/176054031.db2.gz FBHHVOUIYNLLCC-MRVPVSSYSA-N 1 2 236.275 0.591 20 0 BCADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nnn(C)n1 ZINC000194434704 176116584 /nfs/dbraw/zinc/11/65/84/176116584.db2.gz RDIPDIMZNXNWDD-RKDXNWHRSA-N 1 2 209.297 0.973 20 0 BCADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1CO ZINC000283212710 176153763 /nfs/dbraw/zinc/15/37/63/176153763.db2.gz RTOBUPMNZJXTNF-GZWSGWKISA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1ncnn1CCF ZINC000369192655 176189510 /nfs/dbraw/zinc/18/95/10/176189510.db2.gz HGLKJABVHDIXRC-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1ncnn1CCF ZINC000369192655 176189511 /nfs/dbraw/zinc/18/95/11/176189511.db2.gz HGLKJABVHDIXRC-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1cnn(C)n1 ZINC000367656182 176189809 /nfs/dbraw/zinc/18/98/09/176189809.db2.gz AZZMHFUKGZISRT-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1cnn(C)n1 ZINC000367656182 176189810 /nfs/dbraw/zinc/18/98/10/176189810.db2.gz AZZMHFUKGZISRT-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2nncn2C)O1 ZINC000336679812 176202643 /nfs/dbraw/zinc/20/26/43/176202643.db2.gz XDRWZMJFSZKHLP-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2nncn2C)O1 ZINC000336679812 176202644 /nfs/dbraw/zinc/20/26/44/176202644.db2.gz XDRWZMJFSZKHLP-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000121870766 176220491 /nfs/dbraw/zinc/22/04/91/176220491.db2.gz BNDUSNAWRFZSJT-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321410 176224450 /nfs/dbraw/zinc/22/44/50/176224450.db2.gz SZFPOPGRNZQZSK-ZYHUDNBSSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321410 176224452 /nfs/dbraw/zinc/22/44/52/176224452.db2.gz SZFPOPGRNZQZSK-ZYHUDNBSSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327192 176275011 /nfs/dbraw/zinc/27/50/11/176275011.db2.gz QLBBUWVTQPSTRR-SCZZXKLOSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327192 176275012 /nfs/dbraw/zinc/27/50/12/176275012.db2.gz QLBBUWVTQPSTRR-SCZZXKLOSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000333327192 176275014 /nfs/dbraw/zinc/27/50/14/176275014.db2.gz QLBBUWVTQPSTRR-SCZZXKLOSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)[C@H](C)CN1C ZINC000336377520 176283133 /nfs/dbraw/zinc/28/31/33/176283133.db2.gz NYNSBMTUUJRJHW-NXEZZACHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@H](C)CN1C ZINC000336377520 176283134 /nfs/dbraw/zinc/28/31/34/176283134.db2.gz NYNSBMTUUJRJHW-NXEZZACHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)[C@H](C)CO1 ZINC000354843907 176283493 /nfs/dbraw/zinc/28/34/93/176283493.db2.gz CLYXTHLCKJVKPG-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)[C@H](C)CO1 ZINC000354843907 176283494 /nfs/dbraw/zinc/28/34/94/176283494.db2.gz CLYXTHLCKJVKPG-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@@H](C)N1C ZINC000336893492 176289629 /nfs/dbraw/zinc/28/96/29/176289629.db2.gz UTKCOSCMCDTXPN-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC(O)(C3CC3)C2)CCO1 ZINC000370017887 176290819 /nfs/dbraw/zinc/29/08/19/176290819.db2.gz GSMKZWUPFIKZAY-LLVKDONJSA-N 1 2 240.347 0.164 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC(O)(C3CC3)C2)CCO1 ZINC000370017887 176290822 /nfs/dbraw/zinc/29/08/22/176290822.db2.gz GSMKZWUPFIKZAY-LLVKDONJSA-N 1 2 240.347 0.164 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@H](F)C2)CCO1 ZINC000336263011 176291333 /nfs/dbraw/zinc/29/13/33/176291333.db2.gz MNPAWAGXDSJBLV-MNOVXSKESA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@H](F)C2)CCO1 ZINC000336263011 176291334 /nfs/dbraw/zinc/29/13/34/176291334.db2.gz MNPAWAGXDSJBLV-MNOVXSKESA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CC2)CC[S@]1=O ZINC000357901678 176291949 /nfs/dbraw/zinc/29/19/49/176291949.db2.gz WUKORQWOKBKFIX-MEBBXXQBSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CC2)CC[S@]1=O ZINC000357901678 176291951 /nfs/dbraw/zinc/29/19/51/176291951.db2.gz WUKORQWOKBKFIX-MEBBXXQBSA-N 1 2 231.361 0.866 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CC2)CC[S@@]1=O ZINC000357901681 176292633 /nfs/dbraw/zinc/29/26/33/176292633.db2.gz WUKORQWOKBKFIX-BMIGLBTASA-N 1 2 231.361 0.866 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CC2)CC[S@@]1=O ZINC000357901681 176292634 /nfs/dbraw/zinc/29/26/34/176292634.db2.gz WUKORQWOKBKFIX-BMIGLBTASA-N 1 2 231.361 0.866 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cscn2)CC(=O)N1 ZINC000296146719 176295382 /nfs/dbraw/zinc/29/53/82/176295382.db2.gz JKSHVHJUWGCRFA-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cscn2)CC(=O)N1 ZINC000296146719 176295384 /nfs/dbraw/zinc/29/53/84/176295384.db2.gz JKSHVHJUWGCRFA-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)CC[S@@]1=O ZINC000346273886 176296327 /nfs/dbraw/zinc/29/63/27/176296327.db2.gz IWRUDDRRPOXJKL-BMIGLBTASA-N 1 2 227.333 0.336 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118230 176299094 /nfs/dbraw/zinc/29/90/94/176299094.db2.gz HNXQFKLTJSPQOJ-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118230 176299096 /nfs/dbraw/zinc/29/90/96/176299096.db2.gz HNXQFKLTJSPQOJ-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)[nH][nH]2)CCS1 ZINC000271642547 176311812 /nfs/dbraw/zinc/31/18/12/176311812.db2.gz RUYRPBNCEYQYBP-ZCFIWIBFSA-N 1 2 214.294 0.035 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)[nH][nH]2)CCS1 ZINC000271642547 176311814 /nfs/dbraw/zinc/31/18/14/176311814.db2.gz RUYRPBNCEYQYBP-ZCFIWIBFSA-N 1 2 214.294 0.035 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582518 176300595 /nfs/dbraw/zinc/30/05/95/176300595.db2.gz FXJSRXRNPWULRH-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582518 176300597 /nfs/dbraw/zinc/30/05/97/176300597.db2.gz FXJSRXRNPWULRH-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H](C(N)=O)O1 ZINC000092008172 176307382 /nfs/dbraw/zinc/30/73/82/176307382.db2.gz BNNHPHFGYHWNBU-MWLCHTKSSA-N 1 2 237.303 0.100 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H](C(N)=O)O1 ZINC000092008172 176307384 /nfs/dbraw/zinc/30/73/84/176307384.db2.gz BNNHPHFGYHWNBU-MWLCHTKSSA-N 1 2 237.303 0.100 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H](C(N)=O)O1 ZINC000122441961 176307708 /nfs/dbraw/zinc/30/77/08/176307708.db2.gz GXWZIFZOYXUWPN-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H](C(N)=O)O1 ZINC000122441961 176307710 /nfs/dbraw/zinc/30/77/10/176307710.db2.gz GXWZIFZOYXUWPN-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC(C)(C)O1 ZINC000336668710 176308495 /nfs/dbraw/zinc/30/84/95/176308495.db2.gz QUGRCHZKVJEZLD-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC(C)(C)O1 ZINC000336668710 176308497 /nfs/dbraw/zinc/30/84/97/176308497.db2.gz QUGRCHZKVJEZLD-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H](C(N)=O)O1 ZINC000092008135 176309284 /nfs/dbraw/zinc/30/92/84/176309284.db2.gz XOCLQAWHRVRZIT-SCZZXKLOSA-N 1 2 240.328 0.823 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H](C(N)=O)O1 ZINC000092008135 176309285 /nfs/dbraw/zinc/30/92/85/176309285.db2.gz XOCLQAWHRVRZIT-SCZZXKLOSA-N 1 2 240.328 0.823 20 0 BCADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C(N)=O ZINC000332694883 176311790 /nfs/dbraw/zinc/31/17/90/176311790.db2.gz LGUAKWFXXFVRNA-PHDIDXHHSA-N 1 2 225.252 0.113 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C(N)=O ZINC000332694883 176311791 /nfs/dbraw/zinc/31/17/91/176311791.db2.gz LGUAKWFXXFVRNA-PHDIDXHHSA-N 1 2 225.252 0.113 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC(=O)N1 ZINC000296237309 176316731 /nfs/dbraw/zinc/31/67/31/176316731.db2.gz ORPZAQPQGCOCNH-GAJTVXKRSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC(=O)N1 ZINC000296237309 176316732 /nfs/dbraw/zinc/31/67/32/176316732.db2.gz ORPZAQPQGCOCNH-GAJTVXKRSA-N 1 2 246.310 0.465 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000361869031 176317866 /nfs/dbraw/zinc/31/78/66/176317866.db2.gz QPBBLGPTSRUEHA-MRTMQBJTSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000361869031 176317867 /nfs/dbraw/zinc/31/78/67/176317867.db2.gz QPBBLGPTSRUEHA-MRTMQBJTSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCC1=O ZINC000253289915 176318353 /nfs/dbraw/zinc/31/83/53/176318353.db2.gz PIPXCNFIDOASPB-BDAKNGLRSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCC1=O ZINC000253289915 176318354 /nfs/dbraw/zinc/31/83/54/176318354.db2.gz PIPXCNFIDOASPB-BDAKNGLRSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282843489 176333164 /nfs/dbraw/zinc/33/31/64/176333164.db2.gz RPSIWAKEHNSCTF-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@H]1COCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000286510066 176338552 /nfs/dbraw/zinc/33/85/52/176338552.db2.gz BGWQPSWPOXADCR-GHMZBOCLSA-N 1 2 237.303 0.672 20 0 BCADLO C[C@@H]1COCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000286510071 176343212 /nfs/dbraw/zinc/34/32/12/176343212.db2.gz BGWQPSWPOXADCR-MNOVXSKESA-N 1 2 237.303 0.672 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2cnn[nH]2)C1 ZINC000336259311 176350253 /nfs/dbraw/zinc/35/02/53/176350253.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000336259311 176350254 /nfs/dbraw/zinc/35/02/54/176350254.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2c[nH]nn2)C1 ZINC000336259311 176350255 /nfs/dbraw/zinc/35/02/55/176350255.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000336259311 176350256 /nfs/dbraw/zinc/35/02/56/176350256.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1CSCC[N@H+](Cc2cn[nH]n2)C1 ZINC000336259311 176350257 /nfs/dbraw/zinc/35/02/57/176350257.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1CSCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000336259311 176350258 /nfs/dbraw/zinc/35/02/58/176350258.db2.gz UVIWENLRELADIO-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CO1 ZINC000332329278 176357489 /nfs/dbraw/zinc/35/74/89/176357489.db2.gz PKFIGJOLHJDDCF-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000332715296 176382176 /nfs/dbraw/zinc/38/21/76/176382176.db2.gz PYNBULYGRWKMIE-NXEZZACHSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1C(C)(C)C ZINC000332715296 176382177 /nfs/dbraw/zinc/38/21/77/176382177.db2.gz PYNBULYGRWKMIE-NXEZZACHSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944406 176385626 /nfs/dbraw/zinc/38/56/26/176385626.db2.gz ZUGPJKCIEMRPLU-WOPDTQHZSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000076048603 176443176 /nfs/dbraw/zinc/44/31/76/176443176.db2.gz WHAAGXPUMWIWNH-RKDXNWHRSA-N 1 2 208.265 0.591 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C[C@H]1C ZINC000352773328 176668036 /nfs/dbraw/zinc/66/80/36/176668036.db2.gz AZVGZCHKWMQTBP-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c[nH]1 ZINC000093420675 177031027 /nfs/dbraw/zinc/03/10/27/177031027.db2.gz NCCNDSQQMVWFEH-RKDXNWHRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1c[nH]c[nH+]1 ZINC000093420675 177031029 /nfs/dbraw/zinc/03/10/29/177031029.db2.gz NCCNDSQQMVWFEH-RKDXNWHRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H](c1nnnn1C)N(C)CCCn1cc[nH+]c1 ZINC000189785073 177054975 /nfs/dbraw/zinc/05/49/75/177054975.db2.gz JTZZNJQTMBJVRM-SNVBAGLBSA-N 1 2 249.322 0.490 20 0 BCADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCO ZINC000270672250 177055614 /nfs/dbraw/zinc/05/56/14/177055614.db2.gz ANBUZPUKFZJSHU-SNVBAGLBSA-N 1 2 247.302 0.647 20 0 BCADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCO ZINC000270672250 177055615 /nfs/dbraw/zinc/05/56/15/177055615.db2.gz ANBUZPUKFZJSHU-SNVBAGLBSA-N 1 2 247.302 0.647 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCCOC(C)(C)C1 ZINC000364308495 177055913 /nfs/dbraw/zinc/05/59/13/177055913.db2.gz OTTASGYTOSPPJY-SECBINFHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCCOC(C)(C)C1 ZINC000364308495 177055915 /nfs/dbraw/zinc/05/59/15/177055915.db2.gz OTTASGYTOSPPJY-SECBINFHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccncc1 ZINC000104692824 177059323 /nfs/dbraw/zinc/05/93/23/177059323.db2.gz JLFYEVCVKFNSIG-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccncc1 ZINC000104692824 177059324 /nfs/dbraw/zinc/05/93/24/177059324.db2.gz JLFYEVCVKFNSIG-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccccn1 ZINC000104692979 177059722 /nfs/dbraw/zinc/05/97/22/177059722.db2.gz VJVZHEZFVMKOCV-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccn1 ZINC000104692979 177059723 /nfs/dbraw/zinc/05/97/23/177059723.db2.gz VJVZHEZFVMKOCV-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1CO ZINC000283212713 177145560 /nfs/dbraw/zinc/14/55/60/177145560.db2.gz RTOBUPMNZJXTNF-JJHDRXPHSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C ZINC000188669861 177152801 /nfs/dbraw/zinc/15/28/01/177152801.db2.gz DMCCPVKSUUHYJX-IUCAKERBSA-N 1 2 248.330 0.926 20 0 BCADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341114662 177169056 /nfs/dbraw/zinc/16/90/56/177169056.db2.gz CGWLBOIOJHTULO-JGVFFNPUSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341114662 177169057 /nfs/dbraw/zinc/16/90/57/177169057.db2.gz CGWLBOIOJHTULO-JGVFFNPUSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000121871228 177181006 /nfs/dbraw/zinc/18/10/06/177181006.db2.gz BNDUSNAWRFZSJT-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000331045174 177197034 /nfs/dbraw/zinc/19/70/34/177197034.db2.gz HKLOIXKRGIHZFG-OUAUKWLOSA-N 1 2 237.303 0.955 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000297953667 177220551 /nfs/dbraw/zinc/22/05/51/177220551.db2.gz WFMNRSDKCYZQHL-VHSXEESVSA-N 1 2 222.292 0.933 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCOCC2)CCC1=O ZINC000077340190 177251405 /nfs/dbraw/zinc/25/14/05/177251405.db2.gz NURQGYQVVKNULE-NSHDSACASA-N 1 2 226.320 0.230 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCOCC2)CCC1=O ZINC000077340190 177251407 /nfs/dbraw/zinc/25/14/07/177251407.db2.gz NURQGYQVVKNULE-NSHDSACASA-N 1 2 226.320 0.230 20 0 BCADLO C[C@H]1C[N@H+](CCSc2c[nH]nn2)CCO1 ZINC000331336337 177254072 /nfs/dbraw/zinc/25/40/72/177254072.db2.gz IVUQCSWEHVRJFE-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2c[nH]nn2)CCO1 ZINC000331336337 177254074 /nfs/dbraw/zinc/25/40/74/177254074.db2.gz IVUQCSWEHVRJFE-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1C[N@H+](CCSc2cn[nH]n2)CCO1 ZINC000331336337 177254076 /nfs/dbraw/zinc/25/40/76/177254076.db2.gz IVUQCSWEHVRJFE-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2cn[nH]n2)CCO1 ZINC000331336337 177254078 /nfs/dbraw/zinc/25/40/78/177254078.db2.gz IVUQCSWEHVRJFE-QMMMGPOBSA-N 1 2 228.321 0.618 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccccn2)CC(=O)N1C ZINC000282099841 177254854 /nfs/dbraw/zinc/25/48/54/177254854.db2.gz IOPUZXYZSSODGJ-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccccn2)CC(=O)N1C ZINC000282099841 177254856 /nfs/dbraw/zinc/25/48/56/177254856.db2.gz IOPUZXYZSSODGJ-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C[N@H+](CCn2cccn2)CC(=O)N1C ZINC000282017392 177255959 /nfs/dbraw/zinc/25/59/59/177255959.db2.gz DVVGDSHRPWSPAX-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1C[N@@H+](CCn2cccn2)CC(=O)N1C ZINC000282017392 177255960 /nfs/dbraw/zinc/25/59/60/177255960.db2.gz DVVGDSHRPWSPAX-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccncc2)CC(=O)N1C ZINC000282219719 177256018 /nfs/dbraw/zinc/25/60/18/177256018.db2.gz OVRBBMALFPABAK-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccncc2)CC(=O)N1C ZINC000282219719 177256019 /nfs/dbraw/zinc/25/60/19/177256019.db2.gz OVRBBMALFPABAK-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)C[C@H](C)[S@@]1=O ZINC000336486653 177256622 /nfs/dbraw/zinc/25/66/22/177256622.db2.gz PUAQZIJWMQISOX-CULMDFNYSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H](C)[S@@]1=O ZINC000336486653 177256623 /nfs/dbraw/zinc/25/66/23/177256623.db2.gz PUAQZIJWMQISOX-CULMDFNYSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[N@H+](CCn2ccnc2)C[C@H](C)[S@@]1=O ZINC000336486653 177256625 /nfs/dbraw/zinc/25/66/25/177256625.db2.gz PUAQZIJWMQISOX-CULMDFNYSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582520 177257807 /nfs/dbraw/zinc/25/78/07/177257807.db2.gz FXJSRXRNPWULRH-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582520 177257808 /nfs/dbraw/zinc/25/78/08/177257808.db2.gz FXJSRXRNPWULRH-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000339577017 177260140 /nfs/dbraw/zinc/26/01/40/177260140.db2.gz WNJLLWRPZYIENI-IUCAKERBSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000339577017 177260139 /nfs/dbraw/zinc/26/01/39/177260139.db2.gz WNJLLWRPZYIENI-IUCAKERBSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000050792525 177263144 /nfs/dbraw/zinc/26/31/44/177263144.db2.gz WFUZLJKUFNXASA-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000050792525 177263146 /nfs/dbraw/zinc/26/31/46/177263146.db2.gz WFUZLJKUFNXASA-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130278 177270409 /nfs/dbraw/zinc/27/04/09/177270409.db2.gz APJWFUFKNLRRHV-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130278 177270411 /nfs/dbraw/zinc/27/04/11/177270411.db2.gz APJWFUFKNLRRHV-YUMQZZPRSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[S@@]1=O ZINC000353860447 177271737 /nfs/dbraw/zinc/27/17/37/177271737.db2.gz DWZQKRPAGFOZQR-RTHLEPHNSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc3n2CCOC3)[C@H]1C ZINC000339571134 177271871 /nfs/dbraw/zinc/27/18/71/177271871.db2.gz ASGKXSOHKIXOFA-IUCAKERBSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc3n2CCOC3)[C@H]1C ZINC000339571134 177271873 /nfs/dbraw/zinc/27/18/73/177271873.db2.gz ASGKXSOHKIXOFA-IUCAKERBSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@H]1O ZINC000338278964 177272161 /nfs/dbraw/zinc/27/21/61/177272161.db2.gz IBJSBSNWDKYOLQ-VHSXEESVSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@H]1O ZINC000338278964 177272162 /nfs/dbraw/zinc/27/21/62/177272162.db2.gz IBJSBSNWDKYOLQ-VHSXEESVSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000247960698 177274851 /nfs/dbraw/zinc/27/48/51/177274851.db2.gz FEJCFZLDBHUUNL-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000247960698 177274852 /nfs/dbraw/zinc/27/48/52/177274852.db2.gz FEJCFZLDBHUUNL-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000249292170 177276012 /nfs/dbraw/zinc/27/60/12/177276012.db2.gz MMKVFCHYBTZOQM-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCCO[C@@H](C)C1 ZINC000249292170 177276014 /nfs/dbraw/zinc/27/60/14/177276014.db2.gz MMKVFCHYBTZOQM-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000375605539 177289323 /nfs/dbraw/zinc/28/93/23/177289323.db2.gz DGSJKOUXKMATJE-SECBINFHSA-N 1 2 240.307 0.604 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000375605539 177289324 /nfs/dbraw/zinc/28/93/24/177289324.db2.gz DGSJKOUXKMATJE-SECBINFHSA-N 1 2 240.307 0.604 20 0 BCADLO C[C@H]1COCCN1CC[N@@H+]1CCOCC12CC2 ZINC000338593528 177290786 /nfs/dbraw/zinc/29/07/86/177290786.db2.gz SDDUWHIREOVOJB-LBPRGKRZSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@H]1COCCN1CC[N@H+]1CCOCC12CC2 ZINC000338593528 177290787 /nfs/dbraw/zinc/29/07/87/177290787.db2.gz SDDUWHIREOVOJB-LBPRGKRZSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@H]1COCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360474625 177296732 /nfs/dbraw/zinc/29/67/32/177296732.db2.gz QKMTTWQNAMYNPB-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000332715298 177337996 /nfs/dbraw/zinc/33/79/96/177337996.db2.gz PYNBULYGRWKMIE-VHSXEESVSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1C(C)(C)C ZINC000332715298 177337998 /nfs/dbraw/zinc/33/79/98/177337998.db2.gz PYNBULYGRWKMIE-VHSXEESVSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338164242 177343336 /nfs/dbraw/zinc/34/33/36/177343336.db2.gz XZEBZHKVZPMDJW-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H](C)C[NH+](Cc2nnn(C)n2)C1 ZINC000194431013 177358578 /nfs/dbraw/zinc/35/85/78/177358578.db2.gz GZSBXIYDCJQISL-IUCAKERBSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)NCc1c[nH+]cn1C ZINC000360290009 177373921 /nfs/dbraw/zinc/37/39/21/177373921.db2.gz OLMOCFOLTPSURW-WPRPVWTQSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377338545 177376092 /nfs/dbraw/zinc/37/60/92/177376092.db2.gz YWIVTCAFCIXBKX-ZRUFSTJUSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377338545 177376095 /nfs/dbraw/zinc/37/60/95/177376095.db2.gz YWIVTCAFCIXBKX-ZRUFSTJUSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@H]1[N@H+](CC(=O)NC2CC2)CCOC1(C)C ZINC000335709346 177392428 /nfs/dbraw/zinc/39/24/28/177392428.db2.gz UWHVWYHLXSJWJN-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1[N@@H+](CC(=O)NC2CC2)CCOC1(C)C ZINC000335709346 177392430 /nfs/dbraw/zinc/39/24/30/177392430.db2.gz UWHVWYHLXSJWJN-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccccn1 ZINC000261901933 177399398 /nfs/dbraw/zinc/39/93/98/177399398.db2.gz HULUMMKAYGJOFZ-SCZZXKLOSA-N 1 2 221.260 0.397 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000487864348 225328279 /nfs/dbraw/zinc/32/82/79/225328279.db2.gz WNMAHTRNECCTDB-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000487864348 225328285 /nfs/dbraw/zinc/32/82/85/225328285.db2.gz WNMAHTRNECCTDB-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H]1CCOC1 ZINC000487864349 225328813 /nfs/dbraw/zinc/32/88/13/225328813.db2.gz WNMAHTRNECCTDB-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000487864349 225328818 /nfs/dbraw/zinc/32/88/18/225328818.db2.gz WNMAHTRNECCTDB-VIFPVBQESA-N 1 2 210.281 0.519 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000487892492 225329854 /nfs/dbraw/zinc/32/98/54/225329854.db2.gz DBXXSXMMKVMJCD-QMMMGPOBSA-N 1 2 246.261 0.500 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000487892492 225329858 /nfs/dbraw/zinc/32/98/58/225329858.db2.gz DBXXSXMMKVMJCD-QMMMGPOBSA-N 1 2 246.261 0.500 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCc1cnccn1 ZINC000488152488 225350805 /nfs/dbraw/zinc/35/08/05/225350805.db2.gz QVUQFNJACZAPLR-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCc1cnccn1 ZINC000488152488 225350807 /nfs/dbraw/zinc/35/08/07/225350807.db2.gz QVUQFNJACZAPLR-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO FC(F)Cn1ncnc1Cn1cc[nH+]c1 ZINC000488242705 225358032 /nfs/dbraw/zinc/35/80/32/225358032.db2.gz IYDFLZCCLGUFKD-UHFFFAOYSA-N 1 2 213.191 0.788 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678044551 487644903 /nfs/dbraw/zinc/64/49/03/487644903.db2.gz PUJAKOPMJMICSH-JGVFFNPUSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@H](CO)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678044551 487644910 /nfs/dbraw/zinc/64/49/10/487644910.db2.gz PUJAKOPMJMICSH-JGVFFNPUSA-N 1 2 227.226 0.878 20 0 BCADLO Cc1nc(C[NH+]2CCC(O)(CO)CC2)cs1 ZINC000313626114 487645682 /nfs/dbraw/zinc/64/56/82/487645682.db2.gz LDNHCAPKDXYRMU-UHFFFAOYSA-N 1 2 242.344 0.771 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCOCC1 ZINC000335561243 487647807 /nfs/dbraw/zinc/64/78/07/487647807.db2.gz XUJJBEQNCQDFSY-NSHDSACASA-N 1 2 249.314 0.694 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cc[nH]n1 ZINC000492759740 226048016 /nfs/dbraw/zinc/04/80/16/226048016.db2.gz CQNGGEVHVRINCX-UPHRSURJSA-N 1 2 217.232 0.462 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCCO ZINC000492769886 226049595 /nfs/dbraw/zinc/04/95/95/226049595.db2.gz QATFUKGWKNNZGK-PLNGDYQASA-N 1 2 223.276 0.702 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCO ZINC000492773851 226051022 /nfs/dbraw/zinc/05/10/22/226051022.db2.gz VYUGTYOEKCXXQA-ARJAWSKDSA-N 1 2 209.249 0.312 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCNC2=O)no1 ZINC000309084221 487648613 /nfs/dbraw/zinc/64/86/13/487648613.db2.gz UZBPJIGHYWXOTJ-SFYZADRCSA-N 1 2 209.249 0.522 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1cccn1 ZINC000492807089 226057532 /nfs/dbraw/zinc/05/75/32/226057532.db2.gz AUCGBHADPSSROX-NSCUHMNNSA-N 1 2 231.259 0.436 20 0 BCADLO COC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810891 226058288 /nfs/dbraw/zinc/05/82/88/226058288.db2.gz JNPZXXKMQYDCLD-TUUFMJSCSA-N 1 2 209.249 0.574 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCOC1 ZINC000492816232 226059898 /nfs/dbraw/zinc/05/98/98/226059898.db2.gz ZPCAACICJHFKEE-HMDXOVGESA-N 1 2 235.287 0.966 20 0 BCADLO Cn1nccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823048 226059960 /nfs/dbraw/zinc/05/99/60/226059960.db2.gz LSUVSWMMMAJJCX-NSCUHMNNSA-N 1 2 231.259 0.473 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC(=O)N1 ZINC000492816158 226060621 /nfs/dbraw/zinc/06/06/21/226060621.db2.gz ZHKAZFLNVQRFRK-UMCURTJPSA-N 1 2 248.286 0.208 20 0 BCADLO COCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891977 226066614 /nfs/dbraw/zinc/06/66/14/226066614.db2.gz DMJATSPKDSUOTB-ARJAWSKDSA-N 1 2 209.249 0.528 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861594 226068425 /nfs/dbraw/zinc/06/84/25/226068425.db2.gz JWZQCOWUIJLNMR-PANNJJLPSA-N 1 2 241.316 0.306 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861593 226068794 /nfs/dbraw/zinc/06/87/94/226068794.db2.gz JWZQCOWUIJLNMR-HQDSHKDWSA-N 1 2 241.316 0.306 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC1=O ZINC000492860035 226068863 /nfs/dbraw/zinc/06/88/63/226068863.db2.gz HOSSIKXWDFJPSZ-WBSSQXGSSA-N 1 2 233.271 0.908 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C(F)F ZINC000492893507 226076307 /nfs/dbraw/zinc/07/63/07/226076307.db2.gz FZIFCHNXAKQNJT-QOHHWTFISA-N 1 2 231.202 0.165 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCn1cc[nH+]c1 ZINC000492890979 226076698 /nfs/dbraw/zinc/07/66/98/226076698.db2.gz CPAMYGLWHZEATQ-UPHRSURJSA-N 1 2 231.259 0.436 20 0 BCADLO C[C@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492902876 226079091 /nfs/dbraw/zinc/07/90/91/226079091.db2.gz RYSHKAQPZZUYAN-RXNFCKPNSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(=O)[nH]c1 ZINC000492955632 226090973 /nfs/dbraw/zinc/09/09/73/226090973.db2.gz QWDLGEGBLMPKQG-RQOWECAXSA-N 1 2 244.254 0.840 20 0 BCADLO COCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493303627 226181322 /nfs/dbraw/zinc/18/13/22/226181322.db2.gz PMTNMBAMOWRVQG-CDAZIORVSA-N 1 2 223.276 0.964 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](O)C1CC1 ZINC000493325033 226185251 /nfs/dbraw/zinc/18/52/51/226185251.db2.gz QWJVIGKIYZWNFA-CDAZIORVSA-N 1 2 221.260 0.310 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](O)CC1 ZINC000493324247 226186870 /nfs/dbraw/zinc/18/68/70/226186870.db2.gz QVSVNFLMYNFERZ-UMBAGQNISA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](CCO)C1 ZINC000493055530 226113928 /nfs/dbraw/zinc/11/39/28/226113928.db2.gz SQIGCBAZSLKLGU-JWXWKVPASA-N 1 2 235.287 0.654 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493067123 226115989 /nfs/dbraw/zinc/11/59/89/226115989.db2.gz AECPJANKAOVABW-BKIAHZASSA-N 1 2 223.276 0.556 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](O)C2(CC2)C1 ZINC000493086233 226121933 /nfs/dbraw/zinc/12/19/33/226121933.db2.gz QHVYLSLCNYJKJR-YOLVWIGZSA-N 1 2 233.271 0.406 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000493117667 226130724 /nfs/dbraw/zinc/13/07/24/226130724.db2.gz LQLUESWZGXLOAC-GMCFVEKCSA-N 1 2 235.287 0.843 20 0 BCADLO COC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493180440 226146182 /nfs/dbraw/zinc/14/61/82/226146182.db2.gz AIYWIQIGIBYMHT-SNAWJCMRSA-N 1 2 223.276 0.964 20 0 BCADLO C[C@@](O)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493186441 226148555 /nfs/dbraw/zinc/14/85/55/226148555.db2.gz HHMPEYAAXYVNNN-ZYOFXKKJSA-N 1 2 235.287 0.700 20 0 BCADLO C[C@](O)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493186438 226148568 /nfs/dbraw/zinc/14/85/68/226148568.db2.gz HHMPEYAAXYVNNN-ITKZLYELSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCOC1 ZINC000493418159 226210716 /nfs/dbraw/zinc/21/07/16/226210716.db2.gz KNQZFKZRWKZHQN-IHWYPQMZSA-N 1 2 207.233 0.629 20 0 BCADLO NC(=O)CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493446916 226218723 /nfs/dbraw/zinc/21/87/23/226218723.db2.gz FUWGOVIFHVNAGE-IHWYPQMZSA-N 1 2 248.286 0.337 20 0 BCADLO CO[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493479309 226228368 /nfs/dbraw/zinc/22/83/68/226228368.db2.gz IMNUCZLHRSBDMG-UMCURTJPSA-N 1 2 235.287 0.964 20 0 BCADLO Cn1ccsc1=NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493528082 226239206 /nfs/dbraw/zinc/23/92/06/226239206.db2.gz SMEODDBKSIGJMP-MFMSLWGKSA-N 1 2 234.284 0.950 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC[C@H](O)CC1 ZINC000493589621 226244980 /nfs/dbraw/zinc/24/49/80/226244980.db2.gz UGMMFIDBPCTWSJ-MLOGBBSBSA-N 1 2 235.287 0.843 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1 ZINC000493643465 226247335 /nfs/dbraw/zinc/24/73/35/226247335.db2.gz MGEBGIMYGXNCLF-IHWYPQMZSA-N 1 2 218.220 0.190 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)on1 ZINC000493670462 226248444 /nfs/dbraw/zinc/24/84/44/226248444.db2.gz RPPPBJUWUYVHCI-VIFPVBQESA-N 1 2 237.259 0.619 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)on1 ZINC000493670462 226248445 /nfs/dbraw/zinc/24/84/45/226248445.db2.gz RPPPBJUWUYVHCI-VIFPVBQESA-N 1 2 237.259 0.619 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)on1 ZINC000493670460 226248571 /nfs/dbraw/zinc/24/85/71/226248571.db2.gz RPPPBJUWUYVHCI-SECBINFHSA-N 1 2 237.259 0.619 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)on1 ZINC000493670460 226248572 /nfs/dbraw/zinc/24/85/72/226248572.db2.gz RPPPBJUWUYVHCI-SECBINFHSA-N 1 2 237.259 0.619 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ncon1 ZINC000493775282 226253393 /nfs/dbraw/zinc/25/33/93/226253393.db2.gz HPMLYCOFZGVUCX-XDVGHUOJSA-N 1 2 233.231 0.683 20 0 BCADLO C[C@H](CO)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493797389 226254532 /nfs/dbraw/zinc/25/45/32/226254532.db2.gz WUYBUDYAJJIZCG-MPJRPATESA-N 1 2 209.249 0.262 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCC1=O ZINC000493800862 226254777 /nfs/dbraw/zinc/25/47/77/226254777.db2.gz CXQGNPVXSFPOGD-MOVJSRMASA-N 1 2 233.271 0.908 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)CO ZINC000493803505 226254818 /nfs/dbraw/zinc/25/48/18/226254818.db2.gz OWRBWXLLPCYFHB-UREXNXCXSA-N 1 2 223.276 0.556 20 0 BCADLO O=C(/C=C\c1ccncn1)NCCn1cc[nH+]c1 ZINC000493828868 226256394 /nfs/dbraw/zinc/25/63/94/226256394.db2.gz VYMQXXZNICLBSC-UPHRSURJSA-N 1 2 243.270 0.503 20 0 BCADLO COC1C[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000493890813 226258755 /nfs/dbraw/zinc/25/87/55/226258755.db2.gz HNAQYXVDVJUTAW-UHFFFAOYSA-N 1 2 232.287 0.799 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1cnns1 ZINC000494616952 226267008 /nfs/dbraw/zinc/26/70/08/226267008.db2.gz SBNTYPUIBAGENN-UHFFFAOYSA-N 1 2 224.249 0.583 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000494659004 226267812 /nfs/dbraw/zinc/26/78/12/226267812.db2.gz KWYGMJRCUYBPGE-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000494659004 226267813 /nfs/dbraw/zinc/26/78/13/226267813.db2.gz KWYGMJRCUYBPGE-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496380447 226303373 /nfs/dbraw/zinc/30/33/73/226303373.db2.gz ZCBSCBQQIVJXMR-DTWKUNHWSA-N 1 2 243.307 0.023 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496380447 226303374 /nfs/dbraw/zinc/30/33/74/226303374.db2.gz ZCBSCBQQIVJXMR-DTWKUNHWSA-N 1 2 243.307 0.023 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000505615738 226357917 /nfs/dbraw/zinc/35/79/17/226357917.db2.gz ULZAZVNFIOXDOV-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000505615738 226357918 /nfs/dbraw/zinc/35/79/18/226357918.db2.gz ULZAZVNFIOXDOV-LBPRGKRZSA-N 1 2 248.330 0.838 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725804 226287401 /nfs/dbraw/zinc/28/74/01/226287401.db2.gz GFJBQPCYQLLEKS-RKDXNWHRSA-N 1 2 226.276 0.348 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725804 226287402 /nfs/dbraw/zinc/28/74/02/226287402.db2.gz GFJBQPCYQLLEKS-RKDXNWHRSA-N 1 2 226.276 0.348 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000653737967 487655961 /nfs/dbraw/zinc/65/59/61/487655961.db2.gz DGMFOBXEIQEQBV-SFYZADRCSA-N 1 2 225.292 0.881 20 0 BCADLO C[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000169931484 487656977 /nfs/dbraw/zinc/65/69/77/487656977.db2.gz DOOLJQPSENUKMX-QMMMGPOBSA-N 1 2 219.244 0.445 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528373978 262720779 /nfs/dbraw/zinc/72/07/79/262720779.db2.gz SESFVEGMTOTBJT-QMMMGPOBSA-N 1 2 225.317 0.982 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528373978 262720781 /nfs/dbraw/zinc/72/07/81/262720781.db2.gz SESFVEGMTOTBJT-QMMMGPOBSA-N 1 2 225.317 0.982 20 0 BCADLO Cn1[nH]cnc1=NCCCNc1cccc[nH+]1 ZINC000653463336 487659371 /nfs/dbraw/zinc/65/93/71/487659371.db2.gz HDGQUIFBDFMWDI-UHFFFAOYSA-N 1 2 232.291 0.546 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnn(C)c1 ZINC000565784764 322939181 /nfs/dbraw/zinc/93/91/81/322939181.db2.gz JMFRFCDDKAQPRR-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897780 487668555 /nfs/dbraw/zinc/66/85/55/487668555.db2.gz GSYAIZLAVYRVMB-LBPRGKRZSA-N 1 2 248.326 0.964 20 0 BCADLO C[C@H](CO)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897780 487668561 /nfs/dbraw/zinc/66/85/61/487668561.db2.gz GSYAIZLAVYRVMB-LBPRGKRZSA-N 1 2 248.326 0.964 20 0 BCADLO C[C@@H](C[N@H+](C)Cc1cn[nH]c1)CS(C)(=O)=O ZINC000675124847 487671732 /nfs/dbraw/zinc/67/17/32/487671732.db2.gz GZSKNRNQRKJKGS-VIFPVBQESA-N 1 2 245.348 0.522 20 0 BCADLO C[C@@H](C[N@@H+](C)Cc1cn[nH]c1)CS(C)(=O)=O ZINC000675124847 487671735 /nfs/dbraw/zinc/67/17/35/487671735.db2.gz GZSKNRNQRKJKGS-VIFPVBQESA-N 1 2 245.348 0.522 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](O)C1 ZINC000557657138 322940492 /nfs/dbraw/zinc/94/04/92/322940492.db2.gz VJEXKDHKUXMISE-GXSJLCMTSA-N 1 2 235.287 0.039 20 0 BCADLO COc1ccc(CCN2C(=O)C[C@H]([NH3+])C2=O)cc1 ZINC000031992759 487682903 /nfs/dbraw/zinc/68/29/03/487682903.db2.gz SEPCVNVSKBCCNZ-NSHDSACASA-N 1 2 248.282 0.324 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000278394855 487683361 /nfs/dbraw/zinc/68/33/61/487683361.db2.gz DBWOYDPATSCULZ-CBAPKCEASA-N 1 2 223.276 0.873 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1ncc[nH]1)[C@@H]1CCOC1 ZINC000660142139 487685521 /nfs/dbraw/zinc/68/55/21/487685521.db2.gz OTFCNUVQKUJDQM-GHMZBOCLSA-N 1 2 239.319 0.893 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1ncc[nH]1)[C@@H]1CCOC1 ZINC000660142139 487685526 /nfs/dbraw/zinc/68/55/26/487685526.db2.gz OTFCNUVQKUJDQM-GHMZBOCLSA-N 1 2 239.319 0.893 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+](CCO)CC(F)F ZINC000395889732 262794578 /nfs/dbraw/zinc/79/45/78/262794578.db2.gz KJZUPJSVUVIYNK-MRVPVSSYSA-N 1 2 236.262 0.072 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+](CCO)CC(F)F ZINC000395889732 262794579 /nfs/dbraw/zinc/79/45/79/262794579.db2.gz KJZUPJSVUVIYNK-MRVPVSSYSA-N 1 2 236.262 0.072 20 0 BCADLO CCn1ncc(CNCc2c[nH+]cn2CC)n1 ZINC000527733351 262877843 /nfs/dbraw/zinc/87/78/43/262877843.db2.gz DKTPGQFAVIHUSU-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO COc1ccc[nH+]c1N1CC(C)(C(N)=O)C1 ZINC000528040822 262904867 /nfs/dbraw/zinc/90/48/67/262904867.db2.gz QUDAZSSLLYNPAN-UHFFFAOYSA-N 1 2 221.260 0.402 20 0 BCADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)CO)CC1 ZINC000528426463 262945659 /nfs/dbraw/zinc/94/56/59/262945659.db2.gz KPTJQXARGZRLCJ-XNWCZRBMSA-N 1 2 232.711 0.266 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCc1[nH+]ccn1C ZINC000354418138 487720349 /nfs/dbraw/zinc/72/03/49/487720349.db2.gz GVQRESRYTYHKIJ-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000681104994 487724411 /nfs/dbraw/zinc/72/44/11/487724411.db2.gz QTSDLBXDVXQLFG-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000681104994 487724417 /nfs/dbraw/zinc/72/44/17/487724417.db2.gz QTSDLBXDVXQLFG-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000681104894 487724812 /nfs/dbraw/zinc/72/48/12/487724812.db2.gz GEJZCHSNJPKXJA-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000681104894 487724814 /nfs/dbraw/zinc/72/48/14/487724814.db2.gz GEJZCHSNJPKXJA-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO CN1CC[N@H+](CCCOC(C)(C)C)CC1=O ZINC000674908635 487726553 /nfs/dbraw/zinc/72/65/53/487726553.db2.gz GJYWVDCKACWIKY-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CN1CC[N@@H+](CCCOC(C)(C)C)CC1=O ZINC000674908635 487726559 /nfs/dbraw/zinc/72/65/59/487726559.db2.gz GJYWVDCKACWIKY-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000185167480 487728598 /nfs/dbraw/zinc/72/85/98/487728598.db2.gz RSNZHIHYYYOAQQ-MRVPVSSYSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000185167480 487728602 /nfs/dbraw/zinc/72/86/02/487728602.db2.gz RSNZHIHYYYOAQQ-MRVPVSSYSA-N 1 2 210.281 0.324 20 0 BCADLO O[C@@H](C[NH+]1CC(OCC(F)F)C1)C1CC1 ZINC000840757457 584943760 /nfs/dbraw/zinc/94/37/60/584943760.db2.gz JNEITWLFJICPMU-VIFPVBQESA-N 1 2 221.247 0.723 20 0 BCADLO c1coc(CCNc2[nH+]cnc3c2OCCN3)c1 ZINC000665688858 487730162 /nfs/dbraw/zinc/73/01/62/487730162.db2.gz LRMQNXDLPVUXOV-UHFFFAOYSA-N 1 2 246.270 0.641 20 0 BCADLO c1coc(CCNc2nc[nH+]c3c2OCCN3)c1 ZINC000665688858 487730169 /nfs/dbraw/zinc/73/01/69/487730169.db2.gz LRMQNXDLPVUXOV-UHFFFAOYSA-N 1 2 246.270 0.641 20 0 BCADLO CN(Cc1cc[nH]n1)c1nc[nH+]c2c1OCCN2 ZINC000665700792 487735254 /nfs/dbraw/zinc/73/52/54/487735254.db2.gz SETMEJAOKQODLI-UHFFFAOYSA-N 1 2 246.274 0.640 20 0 BCADLO CN(Cc1cc[nH]n1)c1[nH+]cnc2c1OCCN2 ZINC000665700792 487735258 /nfs/dbraw/zinc/73/52/58/487735258.db2.gz SETMEJAOKQODLI-UHFFFAOYSA-N 1 2 246.274 0.640 20 0 BCADLO C[C@H]1OCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665709412 487735979 /nfs/dbraw/zinc/73/59/79/487735979.db2.gz KBTQXAPJXZLFGR-HTQZYQBOSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H]1OCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665709412 487735986 /nfs/dbraw/zinc/73/59/86/487735986.db2.gz KBTQXAPJXZLFGR-HTQZYQBOSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H](CCCO)Nc1nc[nH+]c2c1OCCN2 ZINC000665705923 487736068 /nfs/dbraw/zinc/73/60/68/487736068.db2.gz QVCGFDVVDWWINF-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO C[C@H](CCCO)Nc1[nH+]cnc2c1OCCN2 ZINC000665705923 487736071 /nfs/dbraw/zinc/73/60/71/487736071.db2.gz QVCGFDVVDWWINF-MRVPVSSYSA-N 1 2 238.291 0.854 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ncnn1C(C)C ZINC000088590367 487736092 /nfs/dbraw/zinc/73/60/92/487736092.db2.gz QSEZKUWJPJNAJI-SECBINFHSA-N 1 2 239.323 0.473 20 0 BCADLO C[C@H](O)C[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665711058 487737428 /nfs/dbraw/zinc/73/74/28/487737428.db2.gz HBFUJNJKZUCNOB-YUMQZZPRSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@H](O)C[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665711058 487737430 /nfs/dbraw/zinc/73/74/30/487737430.db2.gz HBFUJNJKZUCNOB-YUMQZZPRSA-N 1 2 238.291 0.852 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1cccnc1OC ZINC000088589540 487738630 /nfs/dbraw/zinc/73/86/30/487738630.db2.gz DIUFXYDQOBRLBB-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000675518151 487744180 /nfs/dbraw/zinc/74/41/80/487744180.db2.gz QKQDTHKYBBSKEP-IJLUTSLNSA-N 1 2 249.314 0.957 20 0 BCADLO CCc1nc(CN2CC[N@@H+](CC)[C@H](C)C2)n[nH]1 ZINC000681210970 487749024 /nfs/dbraw/zinc/74/90/24/487749024.db2.gz PSERLYVUYRWRGF-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](CC)[C@H](C)C2)n[nH]1 ZINC000681210970 487749028 /nfs/dbraw/zinc/74/90/28/487749028.db2.gz PSERLYVUYRWRGF-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nnc(C[N@H+](CCCO)C2CC2)[nH]1 ZINC000681209501 487749553 /nfs/dbraw/zinc/74/95/53/487749553.db2.gz QBCVVBNSWJBJLX-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@@H+](CCCO)C2CC2)[nH]1 ZINC000681209501 487749554 /nfs/dbraw/zinc/74/95/54/487749554.db2.gz QBCVVBNSWJBJLX-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO O[C@@H]1CCC[C@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000660922832 487749745 /nfs/dbraw/zinc/74/97/45/487749745.db2.gz IUGJKVBZQYOUNQ-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCC[C@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000660922832 487749748 /nfs/dbraw/zinc/74/97/48/487749748.db2.gz IUGJKVBZQYOUNQ-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666189556 487752101 /nfs/dbraw/zinc/75/21/01/487752101.db2.gz CPYXZIQYVFCORF-NXEZZACHSA-N 1 2 237.303 0.364 20 0 BCADLO COc1cc(N2CCn3cc[nH+]c3C2)ncn1 ZINC000681229192 487753258 /nfs/dbraw/zinc/75/32/58/487753258.db2.gz AXDBXWUHIVRILP-UHFFFAOYSA-N 1 2 231.259 0.702 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@H](O)C1CC1 ZINC000838958356 585080782 /nfs/dbraw/zinc/08/07/82/585080782.db2.gz JNHXGHFNNRWHCZ-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@H](O)C1CC1 ZINC000838958356 585080783 /nfs/dbraw/zinc/08/07/83/585080783.db2.gz JNHXGHFNNRWHCZ-BDAKNGLRSA-N 1 2 221.247 0.459 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC(F)(F)C1 ZINC000679639486 487756183 /nfs/dbraw/zinc/75/61/83/487756183.db2.gz YCLANWGCRBELQF-QMMMGPOBSA-N 1 2 241.241 0.923 20 0 BCADLO Cc1c[nH]nc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000669605787 487758016 /nfs/dbraw/zinc/75/80/16/487758016.db2.gz PNYQDJFEJRTSFB-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263673390 487758784 /nfs/dbraw/zinc/75/87/84/487758784.db2.gz LPCAVPNQSQOEJG-SNVBAGLBSA-N 1 2 234.303 0.720 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000263673390 487758791 /nfs/dbraw/zinc/75/87/91/487758791.db2.gz LPCAVPNQSQOEJG-SNVBAGLBSA-N 1 2 234.303 0.720 20 0 BCADLO C[C@@H](CC(C)(C)O)NC(=O)Cn1cc[nH+]c1 ZINC000385118035 487765726 /nfs/dbraw/zinc/76/57/26/487765726.db2.gz FDFJGFGDOGIIAV-VIFPVBQESA-N 1 2 225.292 0.549 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000681275141 487767716 /nfs/dbraw/zinc/76/77/16/487767716.db2.gz ZOCBBQSCGWAXGZ-SNVBAGLBSA-N 1 2 233.271 0.229 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000666263897 487775801 /nfs/dbraw/zinc/77/58/01/487775801.db2.gz CKPCNCDSIQRIMK-NXEZZACHSA-N 1 2 245.286 0.896 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cocn1 ZINC000681344644 487780932 /nfs/dbraw/zinc/78/09/32/487780932.db2.gz RHLJXUIILYFRSG-UHFFFAOYSA-N 1 2 220.232 0.381 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)c1ccn(C)n1 ZINC000681363662 487785024 /nfs/dbraw/zinc/78/50/24/487785024.db2.gz UHLGBPRNJWXVGK-UHFFFAOYSA-N 1 2 245.286 0.555 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)co1 ZINC000670233152 487786294 /nfs/dbraw/zinc/78/62/94/487786294.db2.gz CPNCGCRBFNOZCB-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666324365 487789541 /nfs/dbraw/zinc/78/95/41/487789541.db2.gz JGGIDZHKJUAUDL-SSDOTTSWSA-N 1 2 231.259 0.876 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666324365 487789544 /nfs/dbraw/zinc/78/95/44/487789544.db2.gz JGGIDZHKJUAUDL-SSDOTTSWSA-N 1 2 231.259 0.876 20 0 BCADLO C[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000666350477 487790838 /nfs/dbraw/zinc/79/08/38/487790838.db2.gz SKFHQHXYJUFZQX-YUMQZZPRSA-N 1 2 226.280 0.161 20 0 BCADLO C[C@H](CC(=O)N(C)CCC(N)=O)n1cc[nH+]c1 ZINC000652139769 487793113 /nfs/dbraw/zinc/79/31/13/487793113.db2.gz TZSXVCWKZDZUOL-SECBINFHSA-N 1 2 238.291 0.168 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000675953274 487797169 /nfs/dbraw/zinc/79/71/69/487797169.db2.gz KGAFCYCZRIYHDM-GFCCVEGCSA-N 1 2 246.314 0.422 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000675953274 487797175 /nfs/dbraw/zinc/79/71/75/487797175.db2.gz KGAFCYCZRIYHDM-GFCCVEGCSA-N 1 2 246.314 0.422 20 0 BCADLO CCn1nccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000681478157 487798479 /nfs/dbraw/zinc/79/84/79/487798479.db2.gz XXKWOODWCXYXNO-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000776581331 585701378 /nfs/dbraw/zinc/70/13/78/585701378.db2.gz CXEYFTZZCKOFRI-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000776581331 585701379 /nfs/dbraw/zinc/70/13/79/585701379.db2.gz CXEYFTZZCKOFRI-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000408130692 487801338 /nfs/dbraw/zinc/80/13/38/487801338.db2.gz FAVKCOPHXSNBNS-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000408130692 487801342 /nfs/dbraw/zinc/80/13/42/487801342.db2.gz FAVKCOPHXSNBNS-BDAKNGLRSA-N 1 2 241.291 0.419 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H](C)[C@@H](O)C1)n1cc[nH+]c1 ZINC000651632184 487804530 /nfs/dbraw/zinc/80/45/30/487804530.db2.gz GVABJUIKUFFHLC-VWYCJHECSA-N 1 2 237.303 0.673 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2cnn(C)c2)[nH+]1 ZINC000676078906 487810564 /nfs/dbraw/zinc/81/05/64/487810564.db2.gz RDLCIAUIZGOBFA-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO Cc1nc(NCc2cnn(C)c2)nc(N(C)C)[nH+]1 ZINC000676078906 487810567 /nfs/dbraw/zinc/81/05/67/487810567.db2.gz RDLCIAUIZGOBFA-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO c1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)no1 ZINC000678274505 487814305 /nfs/dbraw/zinc/81/43/05/487814305.db2.gz HDGKBZPQTMRFCC-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO Cc1nc(N2CC[C@@H](n3cncn3)C2)cc[nH+]1 ZINC000681596804 487820044 /nfs/dbraw/zinc/82/00/44/487820044.db2.gz HUNXKSDWGQESLH-SNVBAGLBSA-N 1 2 230.275 0.828 20 0 BCADLO Cc1cc(NC(=O)NCCOCCF)cc[nH+]1 ZINC000666489148 487820481 /nfs/dbraw/zinc/82/04/81/487820481.db2.gz BDAVPMXRHMPXDY-UHFFFAOYSA-N 1 2 241.266 0.920 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC/C=C\CO ZINC000666493568 487820498 /nfs/dbraw/zinc/82/04/98/487820498.db2.gz ITDHJKGZKZBJSY-IHWYPQMZSA-N 1 2 221.260 0.482 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)nn1C ZINC000681603445 487821776 /nfs/dbraw/zinc/82/17/76/487821776.db2.gz FOJXLCGZPGLPOD-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)nn1C ZINC000681603445 487821784 /nfs/dbraw/zinc/82/17/84/487821784.db2.gz FOJXLCGZPGLPOD-GFCCVEGCSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCOCCF ZINC000666494725 487822298 /nfs/dbraw/zinc/82/22/98/487822298.db2.gz VMIDTTKCDQEEQN-UHFFFAOYSA-N 1 2 241.266 0.920 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466044 487824309 /nfs/dbraw/zinc/82/43/09/487824309.db2.gz VUMREAHFBRXFJS-HLTSFMKQSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466044 487824315 /nfs/dbraw/zinc/82/43/15/487824315.db2.gz VUMREAHFBRXFJS-HLTSFMKQSA-N 1 2 241.291 0.121 20 0 BCADLO COc1cc(C[NH2+]C2(C(N)=O)CC2)sn1 ZINC000660226078 487826118 /nfs/dbraw/zinc/82/61/18/487826118.db2.gz UHBHZVNSARUHTB-UHFFFAOYSA-N 1 2 227.289 0.259 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(CC(F)F)C[C@@H]21 ZINC000676241207 487827620 /nfs/dbraw/zinc/82/76/20/487827620.db2.gz HYNHMGGFSOPZAZ-YUMQZZPRSA-N 1 2 206.236 0.266 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(CC(F)F)C[C@@H]21 ZINC000676241207 487827627 /nfs/dbraw/zinc/82/76/27/487827627.db2.gz HYNHMGGFSOPZAZ-YUMQZZPRSA-N 1 2 206.236 0.266 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCOc2ccccc2C1 ZINC000676239999 487828403 /nfs/dbraw/zinc/82/84/03/487828403.db2.gz GGIUUKPIPKSYTN-LLVKDONJSA-N 1 2 232.283 0.770 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCOc2ccccc2C1 ZINC000676239999 487828408 /nfs/dbraw/zinc/82/84/08/487828408.db2.gz GGIUUKPIPKSYTN-LLVKDONJSA-N 1 2 232.283 0.770 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC[S@](C)=O ZINC000798193389 586139700 /nfs/dbraw/zinc/13/97/00/586139700.db2.gz LJWAYGVILMIOEK-HNNXBMFYSA-N 1 2 234.365 0.165 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC[S@](C)=O ZINC000798193389 586139701 /nfs/dbraw/zinc/13/97/01/586139701.db2.gz LJWAYGVILMIOEK-HNNXBMFYSA-N 1 2 234.365 0.165 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCOCC1 ZINC000558034708 322945623 /nfs/dbraw/zinc/94/56/23/322945623.db2.gz DTZKAIULZIWJOJ-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO CC(C)[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000487979800 527855654 /nfs/dbraw/zinc/85/56/54/527855654.db2.gz JGKYSDRTTIWHBW-SECBINFHSA-N 1 2 239.323 0.282 20 0 BCADLO CC(C)[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000487979800 527855663 /nfs/dbraw/zinc/85/56/63/527855663.db2.gz JGKYSDRTTIWHBW-SECBINFHSA-N 1 2 239.323 0.282 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)CSCCF ZINC000826143408 587351129 /nfs/dbraw/zinc/35/11/29/587351129.db2.gz YXAYYJZNCSZLTI-MRVPVSSYSA-N 1 2 238.328 0.735 20 0 BCADLO CCO/C=C/C(=O)NCc1c[nH+]cn1C ZINC000493682301 528486619 /nfs/dbraw/zinc/48/66/19/528486619.db2.gz HPJKULPMRCORKA-SNAWJCMRSA-N 1 2 209.249 0.587 20 0 BCADLO CC(C)n1ccnc1C[NH2+]CC(=O)NC1CC1 ZINC000676362341 487841999 /nfs/dbraw/zinc/84/19/99/487841999.db2.gz ZLDVOXJQVTTXJP-UHFFFAOYSA-N 1 2 236.319 0.832 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)CC[C@@H]1O ZINC000681708094 487843714 /nfs/dbraw/zinc/84/37/14/487843714.db2.gz RWBAHHUNFIZGQM-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)CC[C@@H]1O ZINC000681708094 487843718 /nfs/dbraw/zinc/84/37/18/487843718.db2.gz RWBAHHUNFIZGQM-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO CCCn1nccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000668996069 487845294 /nfs/dbraw/zinc/84/52/94/487845294.db2.gz UKBKRFSCNLDXPG-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO CCCn1nccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000668996069 487845300 /nfs/dbraw/zinc/84/53/00/487845300.db2.gz UKBKRFSCNLDXPG-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666620818 487846010 /nfs/dbraw/zinc/84/60/10/487846010.db2.gz YUTWAPAYUBCDPK-SECBINFHSA-N 1 2 237.303 0.667 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666620818 487846014 /nfs/dbraw/zinc/84/60/14/487846014.db2.gz YUTWAPAYUBCDPK-SECBINFHSA-N 1 2 237.303 0.667 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)NCC1CC1 ZINC000045546892 487846027 /nfs/dbraw/zinc/84/60/27/487846027.db2.gz GIHIIDYARMCQJU-UHFFFAOYSA-N 1 2 227.308 0.028 20 0 BCADLO CCC[N@@H+](CC)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878002101 590470068 /nfs/dbraw/zinc/47/00/68/590470068.db2.gz NFOLTJDPSCZDOV-MRXNPFEDSA-N 1 2 249.380 0.819 20 0 BCADLO CO[C@](C)(C[NH2+][C@H]1CCOC1=O)C1CC1 ZINC000308911094 632407912 /nfs/dbraw/zinc/40/79/12/632407912.db2.gz DTVGQKVFDCTVJH-GXSJLCMTSA-N 1 2 213.277 0.707 20 0 BCADLO CC(C)[C@@](C)([NH2+]Cc1csnn1)C(N)=O ZINC000379893614 487850164 /nfs/dbraw/zinc/85/01/64/487850164.db2.gz GATDMKAQEGHKSL-SECBINFHSA-N 1 2 228.321 0.528 20 0 BCADLO CC[C@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493809087 529363491 /nfs/dbraw/zinc/36/34/91/529363491.db2.gz GTMXNPRIVBRRLH-SGUJLRQBSA-N 1 2 223.276 0.700 20 0 BCADLO Cc1cc(NC(=O)COc2cnn(C)c2)cc[nH+]1 ZINC000558577239 322951999 /nfs/dbraw/zinc/95/19/99/322951999.db2.gz FSJNLQCTQLRNTP-UHFFFAOYSA-N 1 2 246.270 0.563 20 0 BCADLO COC[C@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000234697648 487855081 /nfs/dbraw/zinc/85/50/81/487855081.db2.gz WFGBLQJZTWZLJJ-ZETCQYMHSA-N 1 2 242.279 0.141 20 0 BCADLO COC[C@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000234697648 487855085 /nfs/dbraw/zinc/85/50/85/487855085.db2.gz WFGBLQJZTWZLJJ-ZETCQYMHSA-N 1 2 242.279 0.141 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000681755376 487855973 /nfs/dbraw/zinc/85/59/73/487855973.db2.gz SKNIYFRXMDUDPU-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CCCCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930729355 639882776 /nfs/dbraw/zinc/88/27/76/639882776.db2.gz MJPZDGVGFCCMHK-UHFFFAOYSA-N 1 2 220.338 0.539 20 0 BCADLO O=C(c1nc[nH]n1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000676526500 487864906 /nfs/dbraw/zinc/86/49/06/487864906.db2.gz BWQOVTRWHCQRLO-UHFFFAOYSA-N 1 2 245.242 0.103 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000676557683 487872539 /nfs/dbraw/zinc/87/25/39/487872539.db2.gz ZVXHSYBWBDASSS-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000676557683 487872541 /nfs/dbraw/zinc/87/25/41/487872541.db2.gz ZVXHSYBWBDASSS-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000676560665 487872667 /nfs/dbraw/zinc/87/26/67/487872667.db2.gz JNKKASJVJYAMBE-FXBDTBDDSA-N 1 2 241.291 0.114 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000676560665 487872670 /nfs/dbraw/zinc/87/26/70/487872670.db2.gz JNKKASJVJYAMBE-FXBDTBDDSA-N 1 2 241.291 0.114 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666009249 487876011 /nfs/dbraw/zinc/87/60/11/487876011.db2.gz MECJQNQCMUAYHO-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC12CCC2 ZINC000676580156 487876294 /nfs/dbraw/zinc/87/62/94/487876294.db2.gz WMSNSVUNBDGGCN-NEPJUHHUSA-N 1 2 249.358 0.293 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CC12CCC2 ZINC000676580157 487876336 /nfs/dbraw/zinc/87/63/36/487876336.db2.gz WMSNSVUNBDGGCN-NWDGAFQWSA-N 1 2 249.358 0.293 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000498336303 487887575 /nfs/dbraw/zinc/88/75/75/487887575.db2.gz MYBTUEHSIUPSHQ-MXWKQRLJSA-N 1 2 235.287 0.778 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000498336303 487887584 /nfs/dbraw/zinc/88/75/84/487887584.db2.gz MYBTUEHSIUPSHQ-MXWKQRLJSA-N 1 2 235.287 0.778 20 0 BCADLO CC[C@@H](NC(=O)c1cnn(C)c1N)c1[nH]cc[nH+]1 ZINC000682040919 487888446 /nfs/dbraw/zinc/88/84/46/487888446.db2.gz LODZHOYJWNJSPY-MRVPVSSYSA-N 1 2 248.290 0.607 20 0 BCADLO CC[NH+]1CCN(C(=O)c2n[nH]c(C)c2O)CC1 ZINC000676706279 487895929 /nfs/dbraw/zinc/89/59/29/487895929.db2.gz MHSSFCBDILYJLE-UHFFFAOYSA-N 1 2 238.291 0.201 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1cn[nH]c1 ZINC000676704942 487896284 /nfs/dbraw/zinc/89/62/84/487896284.db2.gz TUGKGBQZSKJRRS-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cn[nH]c1 ZINC000676704942 487896288 /nfs/dbraw/zinc/89/62/88/487896288.db2.gz TUGKGBQZSKJRRS-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000676710370 487897716 /nfs/dbraw/zinc/89/77/16/487897716.db2.gz CRJLEXRHOKTATR-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000676710370 487897719 /nfs/dbraw/zinc/89/77/19/487897719.db2.gz CRJLEXRHOKTATR-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO Cc1ncc(C(=O)NCCc2[nH]cc[nH+]2)c(N)n1 ZINC000668535047 487897891 /nfs/dbraw/zinc/89/78/91/487897891.db2.gz ARFSKJVBIFQMIB-UHFFFAOYSA-N 1 2 246.274 0.063 20 0 BCADLO Cn1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000668535818 487898788 /nfs/dbraw/zinc/89/87/88/487898788.db2.gz PRMAOZMWWRJMBY-CQSZACIVSA-N 1 2 249.358 0.932 20 0 BCADLO Cc1nccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000668535747 487899018 /nfs/dbraw/zinc/89/90/18/487899018.db2.gz KDMFAEUELFFHHH-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000676712434 487900858 /nfs/dbraw/zinc/90/08/58/487900858.db2.gz IYBALVBQTCWDJD-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000676712434 487900862 /nfs/dbraw/zinc/90/08/62/487900862.db2.gz IYBALVBQTCWDJD-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO Cc1noc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000676713033 487900724 /nfs/dbraw/zinc/90/07/24/487900724.db2.gz DMNDXRPRMIMVIW-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000676713033 487900729 /nfs/dbraw/zinc/90/07/29/487900729.db2.gz DMNDXRPRMIMVIW-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC=CCC1 ZINC000679325520 487906761 /nfs/dbraw/zinc/90/67/61/487906761.db2.gz LRXFCDDPKJTFPU-LLVKDONJSA-N 1 2 224.304 0.496 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC=CCC1 ZINC000679325520 487906764 /nfs/dbraw/zinc/90/67/64/487906764.db2.gz LRXFCDDPKJTFPU-LLVKDONJSA-N 1 2 224.304 0.496 20 0 BCADLO CCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080528524 487910185 /nfs/dbraw/zinc/91/01/85/487910185.db2.gz GGNBGITWNBYHQP-UHFFFAOYSA-N 1 2 217.294 0.581 20 0 BCADLO CCC[C@@H](O)CC(=O)NCCn1cc[nH+]c1 ZINC000676738765 487910344 /nfs/dbraw/zinc/91/03/44/487910344.db2.gz HHIAMHIQZGJNKC-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000681167600 487923077 /nfs/dbraw/zinc/92/30/77/487923077.db2.gz RSGHQFUEZDNSJW-HRDYMLBCSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000681167600 487923085 /nfs/dbraw/zinc/92/30/85/487923085.db2.gz RSGHQFUEZDNSJW-HRDYMLBCSA-N 1 2 241.291 0.121 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000682170393 487924210 /nfs/dbraw/zinc/92/42/10/487924210.db2.gz YIONSCHVDQXZRE-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000682170393 487924213 /nfs/dbraw/zinc/92/42/13/487924213.db2.gz YIONSCHVDQXZRE-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)C[C@H]1CC(=O)N1 ZINC000667000433 487925948 /nfs/dbraw/zinc/92/59/48/487925948.db2.gz AUURPRFFUBZAPP-MRVPVSSYSA-N 1 2 248.286 0.365 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)CO1 ZINC000682209596 487927327 /nfs/dbraw/zinc/92/73/27/487927327.db2.gz LGVZXZOEGBDUDU-ZJUUUORDSA-N 1 2 249.314 0.933 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792190 487928376 /nfs/dbraw/zinc/92/83/76/487928376.db2.gz LKXKODJTUXLNLG-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CC(=O)NCCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676792190 487928378 /nfs/dbraw/zinc/92/83/78/487928378.db2.gz LKXKODJTUXLNLG-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792190 487928383 /nfs/dbraw/zinc/92/83/83/487928383.db2.gz LKXKODJTUXLNLG-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO CC(=O)NCCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676792190 487928389 /nfs/dbraw/zinc/92/83/89/487928389.db2.gz LKXKODJTUXLNLG-UHFFFAOYSA-N 1 2 222.292 0.294 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792406 487929343 /nfs/dbraw/zinc/92/93/43/487929343.db2.gz CCKYYVYNDFPDKE-SNVBAGLBSA-N 1 2 220.276 0.046 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCc2c[nH]nc2C1 ZINC000676792406 487929345 /nfs/dbraw/zinc/92/93/45/487929345.db2.gz CCKYYVYNDFPDKE-SNVBAGLBSA-N 1 2 220.276 0.046 20 0 BCADLO c1cnn(CC[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676794327 487930325 /nfs/dbraw/zinc/93/03/25/487930325.db2.gz UUOOSIHGTVSXQZ-UHFFFAOYSA-N 1 2 217.276 0.665 20 0 BCADLO c1cnn(CC[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676794327 487930326 /nfs/dbraw/zinc/93/03/26/487930326.db2.gz UUOOSIHGTVSXQZ-UHFFFAOYSA-N 1 2 217.276 0.665 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672144631 487943131 /nfs/dbraw/zinc/94/31/31/487943131.db2.gz BLUWWDDLUCATHC-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO CCc1noc(C[N@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000682374070 487943739 /nfs/dbraw/zinc/94/37/39/487943739.db2.gz ZTLKNSHNQDAQJJ-BDAKNGLRSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1noc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000682374070 487943742 /nfs/dbraw/zinc/94/37/42/487943742.db2.gz ZTLKNSHNQDAQJJ-BDAKNGLRSA-N 1 2 243.307 0.196 20 0 BCADLO C[C@H](NC(=O)Nc1ncn(C)n1)c1[nH+]ccn1C ZINC000667138299 487944475 /nfs/dbraw/zinc/94/44/75/487944475.db2.gz BXEPCMZCZVLTNN-ZETCQYMHSA-N 1 2 249.278 0.431 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000188776016 487949187 /nfs/dbraw/zinc/94/91/87/487949187.db2.gz XGOXMDRYXGWEEV-SFYZADRCSA-N 1 2 241.295 0.012 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000188776016 487949190 /nfs/dbraw/zinc/94/91/90/487949190.db2.gz XGOXMDRYXGWEEV-SFYZADRCSA-N 1 2 241.295 0.012 20 0 BCADLO CN1CC[N@H+](CCC(C)(F)F)CC1=O ZINC000334787380 487951851 /nfs/dbraw/zinc/95/18/51/487951851.db2.gz CKWBAMUYUKYZRI-UHFFFAOYSA-N 1 2 206.236 0.806 20 0 BCADLO CN1CC[N@@H+](CCC(C)(F)F)CC1=O ZINC000334787380 487951856 /nfs/dbraw/zinc/95/18/56/487951856.db2.gz CKWBAMUYUKYZRI-UHFFFAOYSA-N 1 2 206.236 0.806 20 0 BCADLO OC[C@@H]1CCN(c2cccc[nH+]2)C[C@@H]1O ZINC000569519054 322968726 /nfs/dbraw/zinc/96/87/26/322968726.db2.gz YOPBYVFWQLVCMJ-UWVGGRQHSA-N 1 2 208.261 0.261 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096642032 322969073 /nfs/dbraw/zinc/96/90/73/322969073.db2.gz UJQGLJGGTODIHQ-ZYHUDNBSSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccon1 ZINC000531051015 322974136 /nfs/dbraw/zinc/97/41/36/322974136.db2.gz NBNYWHCEFYTGHY-VIFPVBQESA-N 1 2 234.259 0.619 20 0 BCADLO CC(C)(C)N1CC[C@H]([NH2+]Cc2ncc[nH]2)C1=O ZINC000564961556 322982208 /nfs/dbraw/zinc/98/22/08/322982208.db2.gz SMRRZMQUCPWDFJ-VIFPVBQESA-N 1 2 236.319 0.899 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(CCCCO)C1CC1 ZINC000560349832 322986090 /nfs/dbraw/zinc/98/60/90/322986090.db2.gz DALMUNJMPHHIHN-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561451684 323001999 /nfs/dbraw/zinc/00/19/99/323001999.db2.gz IGVINMIEJDAECH-PSASIEDQSA-N 1 2 207.277 0.877 20 0 BCADLO C[C@H]1CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561451686 323002036 /nfs/dbraw/zinc/00/20/36/323002036.db2.gz IGVINMIEJDAECH-WCBMZHEXSA-N 1 2 207.277 0.877 20 0 BCADLO CCOC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000562555800 323024305 /nfs/dbraw/zinc/02/43/05/323024305.db2.gz AKTSKXXVFFYJOM-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCOC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000562555800 323024306 /nfs/dbraw/zinc/02/43/06/323024306.db2.gz AKTSKXXVFFYJOM-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1nnsc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000572725926 323037429 /nfs/dbraw/zinc/03/74/29/323037429.db2.gz AWSKSBLTTPDHJX-UHFFFAOYSA-N 1 2 226.305 0.154 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(C)c1 ZINC000570056072 323048781 /nfs/dbraw/zinc/04/87/81/323048781.db2.gz BEEAOBSCWWPBJO-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(C)c1 ZINC000570056072 323048782 /nfs/dbraw/zinc/04/87/82/323048782.db2.gz BEEAOBSCWWPBJO-MRVPVSSYSA-N 1 2 233.275 0.961 20 0 BCADLO CC(C)[C@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570100833 323049710 /nfs/dbraw/zinc/04/97/10/323049710.db2.gz XWYFERJFPUIMKK-QMMMGPOBSA-N 1 2 225.292 0.778 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000570100432 323049778 /nfs/dbraw/zinc/04/97/78/323049778.db2.gz OOYHAQFGKGXZEL-GHMZBOCLSA-N 1 2 237.303 0.767 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000570179126 323052284 /nfs/dbraw/zinc/05/22/84/323052284.db2.gz GACXDKAXASYHTN-QWRGUYRKSA-N 1 2 226.320 0.751 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000570179126 323052285 /nfs/dbraw/zinc/05/22/85/323052285.db2.gz GACXDKAXASYHTN-QWRGUYRKSA-N 1 2 226.320 0.751 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2nccs2)C[C@H]1O ZINC000570197120 323052581 /nfs/dbraw/zinc/05/25/81/323052581.db2.gz SCJACADOCVSINH-RKDXNWHRSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2nccs2)C[C@H]1O ZINC000570197120 323052582 /nfs/dbraw/zinc/05/25/82/323052582.db2.gz SCJACADOCVSINH-RKDXNWHRSA-N 1 2 228.317 0.318 20 0 BCADLO C[C@@H](CC(=O)NCc1cc[nH]n1)n1cc[nH+]c1 ZINC000570336866 323056756 /nfs/dbraw/zinc/05/67/56/323056756.db2.gz ZWHZVTJTOWAQIK-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2ncnc2C1 ZINC000570400454 323058444 /nfs/dbraw/zinc/05/84/44/323058444.db2.gz YQLXVJWKOJXNPB-WDEREUQCSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCn2ncnc2C1 ZINC000570400454 323058445 /nfs/dbraw/zinc/05/84/45/323058445.db2.gz YQLXVJWKOJXNPB-WDEREUQCSA-N 1 2 236.319 0.645 20 0 BCADLO COc1ccc[nH+]c1NCCCS(C)(=O)=O ZINC000160213002 323064231 /nfs/dbraw/zinc/06/42/31/323064231.db2.gz BWJDANBXSSHTJL-UHFFFAOYSA-N 1 2 244.316 0.937 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCCOCC1 ZINC000570678246 323066953 /nfs/dbraw/zinc/06/69/53/323066953.db2.gz JMPCADHHULWMHK-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CCCOCC1 ZINC000570678246 323066954 /nfs/dbraw/zinc/06/69/54/323066954.db2.gz JMPCADHHULWMHK-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000570684558 323067126 /nfs/dbraw/zinc/06/71/26/323067126.db2.gz GOAOOTCRFYXYRB-OUJBWJOFSA-N 1 2 249.314 0.475 20 0 BCADLO CCn1cc([C@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC000570730600 323068726 /nfs/dbraw/zinc/06/87/26/323068726.db2.gz XFCJPVWWDAUDSS-JTQLQIEISA-N 1 2 247.302 0.977 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000570771303 323069787 /nfs/dbraw/zinc/06/97/87/323069787.db2.gz OTFIILMPABBNDA-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000570771303 323069788 /nfs/dbraw/zinc/06/97/88/323069788.db2.gz OTFIILMPABBNDA-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CCC(=O)C1(C(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000562982072 323077840 /nfs/dbraw/zinc/07/78/40/323077840.db2.gz FOLNPLYEYQMGCJ-UHFFFAOYSA-N 1 2 238.331 0.955 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)COC)C1CC1 ZINC000190827328 323084328 /nfs/dbraw/zinc/08/43/28/323084328.db2.gz HASNTLIRXMSTQZ-KOLCDFICSA-N 1 2 245.319 0.410 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)COC)C1CC1 ZINC000190827328 323084329 /nfs/dbraw/zinc/08/43/29/323084329.db2.gz HASNTLIRXMSTQZ-KOLCDFICSA-N 1 2 245.319 0.410 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1csnn1 ZINC000563083292 323089488 /nfs/dbraw/zinc/08/94/88/323089488.db2.gz FVJXMWZPLUMVSV-LKEWCRSYSA-N 1 2 229.305 0.603 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000563138982 323095087 /nfs/dbraw/zinc/09/50/87/323095087.db2.gz XAGAGOLZNVXFQQ-BDAKNGLRSA-N 1 2 241.278 0.380 20 0 BCADLO C[C@H](CC(=O)NCC(=O)C1CC1)n1cc[nH+]c1 ZINC000563252677 323106854 /nfs/dbraw/zinc/10/68/54/323106854.db2.gz IVYACUKWAPWGAL-SECBINFHSA-N 1 2 235.287 0.930 20 0 BCADLO CO[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563284562 323108276 /nfs/dbraw/zinc/10/82/76/323108276.db2.gz ICFKUYAPCVDOAN-SSDOTTSWSA-N 1 2 211.265 0.796 20 0 BCADLO CC(C)(NC(=O)c1nccnc1N)c1[nH]cc[nH+]1 ZINC000563285850 323108325 /nfs/dbraw/zinc/10/83/25/323108325.db2.gz YNIAUMDOWOCCAS-UHFFFAOYSA-N 1 2 246.274 0.447 20 0 BCADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000048725577 323108476 /nfs/dbraw/zinc/10/84/76/323108476.db2.gz BFKKRERJPGBWLG-UHFFFAOYSA-N 1 2 247.298 0.399 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC(=O)CC1 ZINC000563412815 323124878 /nfs/dbraw/zinc/12/48/78/323124878.db2.gz REAOCTZSHVCNOB-SNVBAGLBSA-N 1 2 247.298 0.637 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000563491312 323127908 /nfs/dbraw/zinc/12/79/08/323127908.db2.gz XHOSKEYHKNQFSW-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nc2n(n1)CCCC2 ZINC000563541039 323130138 /nfs/dbraw/zinc/13/01/38/323130138.db2.gz FLDVWOWPBQTZGC-UHFFFAOYSA-N 1 2 246.274 0.450 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000152208849 323133461 /nfs/dbraw/zinc/13/34/61/323133461.db2.gz LDEZTJUOLPRNJZ-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1C[N@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000249597944 323139621 /nfs/dbraw/zinc/13/96/21/323139621.db2.gz XIXTVJQPLJLUMN-DTWKUNHWSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000249597944 323139622 /nfs/dbraw/zinc/13/96/22/323139622.db2.gz XIXTVJQPLJLUMN-DTWKUNHWSA-N 1 2 222.292 0.262 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000571296638 323140569 /nfs/dbraw/zinc/14/05/69/323140569.db2.gz VZEOALCYJKPCJJ-IUCAKERBSA-N 1 2 233.271 0.262 20 0 BCADLO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451190387 323142602 /nfs/dbraw/zinc/14/26/02/323142602.db2.gz QFKNKMFPWCNTMM-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451190387 323142603 /nfs/dbraw/zinc/14/26/03/323142603.db2.gz QFKNKMFPWCNTMM-WDEREUQCSA-N 1 2 246.326 0.962 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)C[C@H]1C ZINC000571415609 323144239 /nfs/dbraw/zinc/14/42/39/323144239.db2.gz BXEBMJGRBFMCDW-KKZNHRDASA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)C[C@H]1C ZINC000571415609 323144240 /nfs/dbraw/zinc/14/42/40/323144240.db2.gz BXEBMJGRBFMCDW-KKZNHRDASA-N 1 2 237.303 0.570 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCc1[nH+]ccn1C ZINC000571417760 323144443 /nfs/dbraw/zinc/14/44/43/323144443.db2.gz UAIFNCXDVXHCFE-NSHDSACASA-N 1 2 225.292 0.445 20 0 BCADLO COC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000571461760 323145425 /nfs/dbraw/zinc/14/54/25/323145425.db2.gz SCRCVKSXDWZZQJ-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000571533695 323147277 /nfs/dbraw/zinc/14/72/77/323147277.db2.gz YCVHUMVIXSHYSM-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO C[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000571533695 323147278 /nfs/dbraw/zinc/14/72/78/323147278.db2.gz YCVHUMVIXSHYSM-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)ncn1 ZINC000534648121 323158205 /nfs/dbraw/zinc/15/82/05/323158205.db2.gz GNMXHOLXDHIYNY-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000303393405 323159180 /nfs/dbraw/zinc/15/91/80/323159180.db2.gz ZQSCBRHBWPFSTF-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000303393405 323159181 /nfs/dbraw/zinc/15/91/81/323159181.db2.gz ZQSCBRHBWPFSTF-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCO2)CCO1 ZINC000535007706 323163160 /nfs/dbraw/zinc/16/31/60/323163160.db2.gz JYHAZKXDJWSIQQ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCO2)CCO1 ZINC000535007706 323163161 /nfs/dbraw/zinc/16/31/61/323163161.db2.gz JYHAZKXDJWSIQQ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000305096617 323167067 /nfs/dbraw/zinc/16/70/67/323167067.db2.gz UEGPFMIOUQZISP-KOLCDFICSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)[C@H](C)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313786 323170332 /nfs/dbraw/zinc/17/03/32/323170332.db2.gz OJCQWTVCLYTTCI-UWVGGRQHSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313786 323170333 /nfs/dbraw/zinc/17/03/33/323170333.db2.gz OJCQWTVCLYTTCI-UWVGGRQHSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313786 323170334 /nfs/dbraw/zinc/17/03/34/323170334.db2.gz OJCQWTVCLYTTCI-UWVGGRQHSA-N 1 2 237.303 0.771 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306416188 323172797 /nfs/dbraw/zinc/17/27/97/323172797.db2.gz QPFSVCOCAZUXBU-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000306416188 323172798 /nfs/dbraw/zinc/17/27/98/323172798.db2.gz QPFSVCOCAZUXBU-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO C[C@@H](C[NH2+]Cc1cscn1)S(C)(=O)=O ZINC000308652445 323176604 /nfs/dbraw/zinc/17/66/04/323176604.db2.gz LOSMFNKGLUDMJQ-ZETCQYMHSA-N 1 2 234.346 0.666 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOCC12CCC2 ZINC000567209003 323176711 /nfs/dbraw/zinc/17/67/11/323176711.db2.gz ADRGOIUSAKYBLS-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO CCn1cc[nH+]c1CN[C@H](C)C(=O)OC ZINC000051924152 323191878 /nfs/dbraw/zinc/19/18/78/323191878.db2.gz PEULZWXQABNVNN-MRVPVSSYSA-N 1 2 211.265 0.554 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529973957 323194659 /nfs/dbraw/zinc/19/46/59/323194659.db2.gz GKGOHOPQYRZCQS-KLBPJQLPSA-N 1 2 237.303 0.811 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000536156665 323196326 /nfs/dbraw/zinc/19/63/26/323196326.db2.gz BMDVOSNAKATQTQ-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1nncs1 ZINC000530188365 323206498 /nfs/dbraw/zinc/20/64/98/323206498.db2.gz SHQKCQVSCQOKSS-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1nncs1 ZINC000530188365 323206499 /nfs/dbraw/zinc/20/64/99/323206499.db2.gz SHQKCQVSCQOKSS-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO Cc1nnc([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000532103694 323206624 /nfs/dbraw/zinc/20/66/24/323206624.db2.gz GFROQVAKFLQZIP-RXMQYKEDSA-N 1 2 235.247 0.901 20 0 BCADLO CCc1ncc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000547539641 323232675 /nfs/dbraw/zinc/23/26/75/323232675.db2.gz AMGNIADTVFWEAB-UHFFFAOYSA-N 1 2 245.286 0.954 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245392 323245266 /nfs/dbraw/zinc/24/52/66/323245266.db2.gz YDCMSHBXBXGFSE-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245336 323244801 /nfs/dbraw/zinc/24/48/01/323244801.db2.gz OVCIIMWOCCFSSK-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245303 323245177 /nfs/dbraw/zinc/24/51/77/323245177.db2.gz NODVTLNSBMQCLD-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCn1cc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000043645747 323294794 /nfs/dbraw/zinc/29/47/94/323294794.db2.gz HKTAEZOQIXQVAC-UHFFFAOYSA-N 1 2 248.290 0.921 20 0 BCADLO C[N@H+](CC[C@@H]1CCCO1)Cc1n[nH]c(=O)[nH]1 ZINC000526964251 323307890 /nfs/dbraw/zinc/30/78/90/323307890.db2.gz SHEXGJMLFLEZAT-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1n[nH]c(=O)[nH]1 ZINC000526964251 323307894 /nfs/dbraw/zinc/30/78/94/323307894.db2.gz SHEXGJMLFLEZAT-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CN(C)c1noc(C[NH2+]CC2(F)CC2)n1 ZINC000309097113 323316383 /nfs/dbraw/zinc/31/63/83/323316383.db2.gz FHNJWFWULWZYNF-UHFFFAOYSA-N 1 2 214.244 0.727 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCC(C)(C)O ZINC000563917978 323321939 /nfs/dbraw/zinc/32/19/39/323321939.db2.gz NEFKRGFJMROCMX-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C)nn1C ZINC000309185787 323325029 /nfs/dbraw/zinc/32/50/29/323325029.db2.gz OTKSOAFUMHBNEV-UHFFFAOYSA-N 1 2 206.253 0.469 20 0 BCADLO Cc1nc(N(C)C)nc(NCC(F)F)[nH+]1 ZINC000309229590 323330505 /nfs/dbraw/zinc/33/05/05/323330505.db2.gz WLMVZVWFZXNFRR-UHFFFAOYSA-N 1 2 217.223 0.923 20 0 BCADLO Cc1nc(NCC(F)F)nc(N(C)C)[nH+]1 ZINC000309229590 323330509 /nfs/dbraw/zinc/33/05/09/323330509.db2.gz WLMVZVWFZXNFRR-UHFFFAOYSA-N 1 2 217.223 0.923 20 0 BCADLO Cn1cc(-c2noc(Cc3c[nH+]cn3C)n2)cn1 ZINC000564009210 323350059 /nfs/dbraw/zinc/35/00/59/323350059.db2.gz XHFOTDORPAEZIM-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO Cc1nsc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000309385493 323365443 /nfs/dbraw/zinc/36/54/43/323365443.db2.gz DZUJVVNSMIHQDA-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nsc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000309385493 323365448 /nfs/dbraw/zinc/36/54/48/323365448.db2.gz DZUJVVNSMIHQDA-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572123389 323544251 /nfs/dbraw/zinc/54/42/51/323544251.db2.gz KQKMCNKEYLTKLG-YUSALJHKSA-N 1 2 249.314 0.475 20 0 BCADLO COc1ccc[nH+]c1N1CCO[C@H]([C@@H](C)O)C1 ZINC000528035715 323743270 /nfs/dbraw/zinc/74/32/70/323743270.db2.gz JQLDRRXTRCIIIY-KOLCDFICSA-N 1 2 238.287 0.676 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000055207689 323894344 /nfs/dbraw/zinc/89/43/44/323894344.db2.gz KGPQFEYHGNQSPK-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOC(C)(C)C)CCO1 ZINC000122264985 324036825 /nfs/dbraw/zinc/03/68/25/324036825.db2.gz BZHDPEPNHRKTME-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOC(C)(C)C)CCO1 ZINC000122264985 324036827 /nfs/dbraw/zinc/03/68/27/324036827.db2.gz BZHDPEPNHRKTME-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CCOCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192776977 324199824 /nfs/dbraw/zinc/19/98/24/324199824.db2.gz JIPOBOABRPCORK-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO CCOCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192776977 324199827 /nfs/dbraw/zinc/19/98/27/324199827.db2.gz JIPOBOABRPCORK-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)NC1(CO)CC1 ZINC000677077529 487963828 /nfs/dbraw/zinc/96/38/28/487963828.db2.gz KXIJWVCCECASQC-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661714803 487964410 /nfs/dbraw/zinc/96/44/10/487964410.db2.gz GSEBQDMASDTMLF-POZPLHJXSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661714803 487964414 /nfs/dbraw/zinc/96/44/14/487964414.db2.gz GSEBQDMASDTMLF-POZPLHJXSA-N 1 2 223.276 0.896 20 0 BCADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@H]1CO ZINC000660377024 487965414 /nfs/dbraw/zinc/96/54/14/487965414.db2.gz AOOYRRJTMCIRNB-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H]1CO ZINC000660377024 487965417 /nfs/dbraw/zinc/96/54/17/487965417.db2.gz AOOYRRJTMCIRNB-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO CCCNC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661086183 487965883 /nfs/dbraw/zinc/96/58/83/487965883.db2.gz XGPFKUGXZBSBNL-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO Cn1c[nH+]cc1CN1CCN(C)C(=O)C1(C)C ZINC000130041828 325006967 /nfs/dbraw/zinc/00/69/67/325006967.db2.gz GJCZWBGBNSYCIJ-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO COC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000130077905 325010811 /nfs/dbraw/zinc/01/08/11/325010811.db2.gz MQNIEUPUDOTFOP-SECBINFHSA-N 1 2 231.292 0.821 20 0 BCADLO COC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000130077905 325010814 /nfs/dbraw/zinc/01/08/14/325010814.db2.gz MQNIEUPUDOTFOP-SECBINFHSA-N 1 2 231.292 0.821 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@H](O)C2)c(C)c[nH+]1 ZINC000542196485 325014274 /nfs/dbraw/zinc/01/42/74/325014274.db2.gz ATONDTAGYLSXJI-SNVBAGLBSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660381317 487966896 /nfs/dbraw/zinc/96/68/96/487966896.db2.gz MCXLVCFMNXXOKO-CKYFFXLPSA-N 1 2 238.335 0.829 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1cnn[nH]1 ZINC000660381317 487966906 /nfs/dbraw/zinc/96/69/06/487966906.db2.gz MCXLVCFMNXXOKO-CKYFFXLPSA-N 1 2 238.335 0.829 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)n1 ZINC000544477005 325144120 /nfs/dbraw/zinc/14/41/20/325144120.db2.gz MIMMIKFZKAJKNO-VXNVDRBHSA-N 1 2 238.291 0.649 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)n1 ZINC000544477000 325144566 /nfs/dbraw/zinc/14/45/66/325144566.db2.gz MIMMIKFZKAJKNO-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000131486294 325155495 /nfs/dbraw/zinc/15/54/95/325155495.db2.gz ANWOKRQEHKJUED-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000131486294 325155498 /nfs/dbraw/zinc/15/54/98/325155498.db2.gz ANWOKRQEHKJUED-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO Cc1cc(NC(=O)c2ccc(=O)n(C)n2)cc[nH+]1 ZINC000072709937 325168143 /nfs/dbraw/zinc/16/81/43/325168143.db2.gz LSLGTKAYPHANNI-UHFFFAOYSA-N 1 2 244.254 0.736 20 0 BCADLO Cc1oncc1C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000132024303 325195509 /nfs/dbraw/zinc/19/55/09/325195509.db2.gz VUMCYPHUDFFLNH-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000132024303 325195511 /nfs/dbraw/zinc/19/55/11/325195511.db2.gz VUMCYPHUDFFLNH-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nc(N2CC3(CCC3)OC[C@@H]2C)nc(N)[nH+]1 ZINC000631366426 487967212 /nfs/dbraw/zinc/96/72/12/487967212.db2.gz FYUMJQRXOHTUSZ-QMMMGPOBSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CC3(CCC3)OC[C@@H]2C)[nH+]1 ZINC000631366426 487967226 /nfs/dbraw/zinc/96/72/26/487967226.db2.gz FYUMJQRXOHTUSZ-QMMMGPOBSA-N 1 2 249.318 0.910 20 0 BCADLO COC(=O)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000546645661 325297941 /nfs/dbraw/zinc/29/79/41/325297941.db2.gz BVHYZRPFCCBSLA-UHFFFAOYSA-N 1 2 249.270 0.220 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000134031666 325338882 /nfs/dbraw/zinc/33/88/82/325338882.db2.gz YHWDPCMHGGCFHL-YPMHNXCESA-N 1 2 240.347 0.559 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C(C)C)no1 ZINC000134303655 325353077 /nfs/dbraw/zinc/35/30/77/325353077.db2.gz IQASLQYZNHQLPT-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C(C)C)no1 ZINC000134303655 325353079 /nfs/dbraw/zinc/35/30/79/325353079.db2.gz IQASLQYZNHQLPT-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000547539887 325371636 /nfs/dbraw/zinc/37/16/36/325371636.db2.gz IACLKRBPZVSXPA-BDAKNGLRSA-N 1 2 225.292 0.096 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nccc(N)n1 ZINC000135100838 325393232 /nfs/dbraw/zinc/39/32/32/325393232.db2.gz PXOMDCCUZAAKEU-QMMMGPOBSA-N 1 2 210.281 0.262 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nccc(N)n1 ZINC000135100838 325393233 /nfs/dbraw/zinc/39/32/33/325393233.db2.gz PXOMDCCUZAAKEU-QMMMGPOBSA-N 1 2 210.281 0.262 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000547929849 325412823 /nfs/dbraw/zinc/41/28/23/325412823.db2.gz RCTPAXMDKGOGKM-SECBINFHSA-N 1 2 239.275 0.030 20 0 BCADLO Cc1nnc(N2CC(n3cc[nH+]c3)C2)nc1C ZINC000548162886 325437795 /nfs/dbraw/zinc/43/77/95/325437795.db2.gz ODQOOPLZUGQZAR-UHFFFAOYSA-N 1 2 230.275 0.746 20 0 BCADLO CN(CC(F)(F)F)C(=O)Cc1c[nH+]cn1C ZINC000548191295 325440342 /nfs/dbraw/zinc/44/03/42/325440342.db2.gz NVOQSYUSHABVHB-UHFFFAOYSA-N 1 2 235.209 0.983 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548460971 325460438 /nfs/dbraw/zinc/46/04/38/325460438.db2.gz SGLJRDKKUXHJGG-MWLCHTKSSA-N 1 2 237.303 0.504 20 0 BCADLO CC(C)[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548519652 325465802 /nfs/dbraw/zinc/46/58/02/325465802.db2.gz UILNVOOOVALCSK-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cn[nH]c1 ZINC000550907823 325543093 /nfs/dbraw/zinc/54/30/93/325543093.db2.gz BYTARDOYDSDNLV-QMMMGPOBSA-N 1 2 247.306 0.657 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCSC1 ZINC000553196562 325680674 /nfs/dbraw/zinc/68/06/74/325680674.db2.gz TZLNCVYTDWNPAS-SECBINFHSA-N 1 2 225.317 0.895 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC000554090910 325705896 /nfs/dbraw/zinc/70/58/96/325705896.db2.gz BMYRMFCOPZBJDO-SNVBAGLBSA-N 1 2 239.319 0.343 20 0 BCADLO CCCCOCCNC(=O)Cc1c[nH+]cn1C ZINC000554424519 325719084 /nfs/dbraw/zinc/71/90/84/325719084.db2.gz ZPSHEAYCZFEMRK-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO Cc1cc(N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)nc[nH+]1 ZINC000682474198 487969210 /nfs/dbraw/zinc/96/92/10/487969210.db2.gz WANOBKYQJHKOOS-HOSYDEDBSA-N 1 2 246.314 0.875 20 0 BCADLO CC[C@H]1CO[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000555228091 325750474 /nfs/dbraw/zinc/75/04/74/325750474.db2.gz BIAURGCOSXSJEX-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000565575507 325929422 /nfs/dbraw/zinc/92/94/22/325929422.db2.gz YTLSJTMPEKWQPZ-UWVGGRQHSA-N 1 2 238.291 0.360 20 0 BCADLO C[C@H](CC(=O)NCCCC(N)=O)n1cc[nH+]c1 ZINC000565660452 325940128 /nfs/dbraw/zinc/94/01/28/325940128.db2.gz JAKCENMAFBEHAX-SECBINFHSA-N 1 2 238.291 0.216 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](O)C(F)F ZINC000566015045 325984266 /nfs/dbraw/zinc/98/42/66/325984266.db2.gz FXTQEDBDGWCSRR-CBAPKCEASA-N 1 2 247.245 0.404 20 0 BCADLO O[C@@H]1CC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000566135490 326001685 /nfs/dbraw/zinc/00/16/85/326001685.db2.gz VIUSXUQCHKYTOV-RKDXNWHRSA-N 1 2 220.276 0.986 20 0 BCADLO O[C@@H]1CC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000566135490 326001686 /nfs/dbraw/zinc/00/16/86/326001686.db2.gz VIUSXUQCHKYTOV-RKDXNWHRSA-N 1 2 220.276 0.986 20 0 BCADLO CCC[C@@H](C(=O)OCC)[NH+]1CC(C)(C(N)=O)C1 ZINC000566175037 326007186 /nfs/dbraw/zinc/00/71/86/326007186.db2.gz ZFXMXICWQDSUPN-VIFPVBQESA-N 1 2 242.319 0.525 20 0 BCADLO C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566337699 326034900 /nfs/dbraw/zinc/03/49/00/326034900.db2.gz RFXPBMNLNDMSDI-RKDXNWHRSA-N 1 2 211.265 0.331 20 0 BCADLO CN1CC[N@H+](CCOCC2CCC2)CC1=O ZINC000566668362 326072521 /nfs/dbraw/zinc/07/25/21/326072521.db2.gz XQBKZHBHNUTLPV-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO CN1CC[N@@H+](CCOCC2CCC2)CC1=O ZINC000566668362 326072523 /nfs/dbraw/zinc/07/25/23/326072523.db2.gz XQBKZHBHNUTLPV-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO COCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566688299 326074565 /nfs/dbraw/zinc/07/45/65/326074565.db2.gz YNQZVFVGVPFUJO-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO COCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566688299 326074567 /nfs/dbraw/zinc/07/45/67/326074567.db2.gz YNQZVFVGVPFUJO-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000567012544 326101305 /nfs/dbraw/zinc/10/13/05/326101305.db2.gz XEQFEWHUEOYLOZ-MVWJERBFSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000154018878 326125549 /nfs/dbraw/zinc/12/55/49/326125549.db2.gz YOLVAWUVEJBUJV-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000154018878 326125550 /nfs/dbraw/zinc/12/55/50/326125550.db2.gz YOLVAWUVEJBUJV-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000567316457 326159678 /nfs/dbraw/zinc/15/96/78/326159678.db2.gz GOEOIYMGRHJBNY-SECBINFHSA-N 1 2 236.319 0.912 20 0 BCADLO [NH3+][C@@H](C(=O)N1CCOCC1)c1cscn1 ZINC000567344594 326168494 /nfs/dbraw/zinc/16/84/94/326168494.db2.gz LJEPQQNWCJIGJK-MRVPVSSYSA-N 1 2 227.289 0.002 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COCC1CC1 ZINC000567366972 326174871 /nfs/dbraw/zinc/17/48/71/326174871.db2.gz PIHIULSUIGRALU-UHFFFAOYSA-N 1 2 237.303 0.946 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000309983523 326178071 /nfs/dbraw/zinc/17/80/71/326178071.db2.gz PGRQZJPLLMIABS-VHSXEESVSA-N 1 2 239.323 0.428 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000309983523 326178074 /nfs/dbraw/zinc/17/80/74/326178074.db2.gz PGRQZJPLLMIABS-VHSXEESVSA-N 1 2 239.323 0.428 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567442705 326192656 /nfs/dbraw/zinc/19/26/56/326192656.db2.gz OFTFQKPCRLNQGE-URLYPYJESA-N 1 2 234.303 0.981 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000155529326 326199134 /nfs/dbraw/zinc/19/91/34/326199134.db2.gz UHFSGFCMXFDYRI-VIFPVBQESA-N 1 2 247.298 0.846 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567485604 326202755 /nfs/dbraw/zinc/20/27/55/326202755.db2.gz LNNHFMNPJZDGQV-DTWKUNHWSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567485604 326202758 /nfs/dbraw/zinc/20/27/58/326202758.db2.gz LNNHFMNPJZDGQV-DTWKUNHWSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567485605 326202783 /nfs/dbraw/zinc/20/27/83/326202783.db2.gz LNNHFMNPJZDGQV-IUCAKERBSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567485605 326202784 /nfs/dbraw/zinc/20/27/84/326202784.db2.gz LNNHFMNPJZDGQV-IUCAKERBSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N2CCCC2)[C@H]1C ZINC000156087174 326218908 /nfs/dbraw/zinc/21/89/08/326218908.db2.gz WLMRSIVRFQLHAM-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCCC2)[C@H]1C ZINC000156087174 326218910 /nfs/dbraw/zinc/21/89/10/326218910.db2.gz WLMRSIVRFQLHAM-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)N(C)C2CC2)[C@H]1C ZINC000156239460 326224091 /nfs/dbraw/zinc/22/40/91/326224091.db2.gz FFAOBOGVMSGOID-UWVGGRQHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(C)C ZINC000156272419 326225730 /nfs/dbraw/zinc/22/57/30/326225730.db2.gz IFUMQRKINSASTQ-BDAKNGLRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(C)C ZINC000156272419 326225733 /nfs/dbraw/zinc/22/57/33/326225733.db2.gz IFUMQRKINSASTQ-BDAKNGLRSA-N 1 2 200.282 0.184 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000567610342 326228454 /nfs/dbraw/zinc/22/84/54/326228454.db2.gz DARLUYQXLKXCJJ-RKDXNWHRSA-N 1 2 240.307 0.432 20 0 BCADLO Cc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000156646842 326238491 /nfs/dbraw/zinc/23/84/91/326238491.db2.gz CSRRVTLATRSUFO-UHFFFAOYSA-N 1 2 206.249 0.063 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H](C)c1nn[nH]n1 ZINC000567752652 326255347 /nfs/dbraw/zinc/25/53/47/326255347.db2.gz RWQMHBDYRQQWPI-MRVPVSSYSA-N 1 2 247.306 0.846 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157589033 326285459 /nfs/dbraw/zinc/28/54/59/326285459.db2.gz OAEUXWXFPDBQOP-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000567963085 326288920 /nfs/dbraw/zinc/28/89/20/326288920.db2.gz MEDQXSXGOCOXQS-PSASIEDQSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000567963085 326288923 /nfs/dbraw/zinc/28/89/23/326288923.db2.gz MEDQXSXGOCOXQS-PSASIEDQSA-N 1 2 223.276 0.636 20 0 BCADLO CC(C)(NC(=O)C1CC(=O)C1)c1[nH]cc[nH+]1 ZINC000568067940 326303589 /nfs/dbraw/zinc/30/35/89/326303589.db2.gz BWEYOONLOAHBFO-UHFFFAOYSA-N 1 2 221.260 0.740 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(C#N)cn1 ZINC000568176369 326320425 /nfs/dbraw/zinc/32/04/25/326320425.db2.gz YEXNZYOSSFSKES-UHFFFAOYSA-N 1 2 232.287 0.651 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cn1 ZINC000568176369 326320428 /nfs/dbraw/zinc/32/04/28/326320428.db2.gz YEXNZYOSSFSKES-UHFFFAOYSA-N 1 2 232.287 0.651 20 0 BCADLO O=C1CCC(C[N@@H+]2CCn3nncc3C2)CC1 ZINC000568183235 326322153 /nfs/dbraw/zinc/32/21/53/326322153.db2.gz NVNRSDFPRMSTQR-UHFFFAOYSA-N 1 2 234.303 0.853 20 0 BCADLO O=C1CCC(C[N@H+]2CCn3nncc3C2)CC1 ZINC000568183235 326322155 /nfs/dbraw/zinc/32/21/55/326322155.db2.gz NVNRSDFPRMSTQR-UHFFFAOYSA-N 1 2 234.303 0.853 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568226637 326329310 /nfs/dbraw/zinc/32/93/10/326329310.db2.gz GIXDJCWLEBDWLB-UHFFFAOYSA-N 1 2 249.274 0.812 20 0 BCADLO Cc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)nn1C ZINC000568275278 326339566 /nfs/dbraw/zinc/33/95/66/326339566.db2.gz VBCKNMPMVHQYRR-MRVPVSSYSA-N 1 2 248.290 0.910 20 0 BCADLO Cc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)nn1C ZINC000568275279 326339651 /nfs/dbraw/zinc/33/96/51/326339651.db2.gz VBCKNMPMVHQYRR-QMMMGPOBSA-N 1 2 248.290 0.910 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)[C@@H](C)O1 ZINC000568341752 326345664 /nfs/dbraw/zinc/34/56/64/326345664.db2.gz LDKNMDBFZPVXQL-GMTAPVOTSA-N 1 2 237.303 0.907 20 0 BCADLO CC[C@@]1(O)CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000568782033 326377367 /nfs/dbraw/zinc/37/73/67/326377367.db2.gz GEGNQNUOLWOVAY-LLVKDONJSA-N 1 2 238.291 0.419 20 0 BCADLO CC[C@@]1(O)CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000568782033 326377368 /nfs/dbraw/zinc/37/73/68/326377368.db2.gz GEGNQNUOLWOVAY-LLVKDONJSA-N 1 2 238.291 0.419 20 0 BCADLO COCCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000568891006 326381870 /nfs/dbraw/zinc/38/18/70/326381870.db2.gz RMNVPIQRQFMTMQ-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CCN(c1cc(C)[nH+]cn1)[C@H]1CCNC1=O ZINC000568951676 326383549 /nfs/dbraw/zinc/38/35/49/326383549.db2.gz CJNIFBOVIQKMPE-VIFPVBQESA-N 1 2 220.276 0.500 20 0 BCADLO O[C@H]1C[N@H+](Cc2cn(CC3CC3)nn2)CC12CC2 ZINC000569070398 326388475 /nfs/dbraw/zinc/38/84/75/326388475.db2.gz CSUFSGALXDQZLX-LBPRGKRZSA-N 1 2 248.330 0.645 20 0 BCADLO O[C@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)CC12CC2 ZINC000569070398 326388476 /nfs/dbraw/zinc/38/84/76/326388476.db2.gz CSUFSGALXDQZLX-LBPRGKRZSA-N 1 2 248.330 0.645 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)no1 ZINC000569119155 326391455 /nfs/dbraw/zinc/39/14/55/326391455.db2.gz YVDQDVFDTZHOBC-SFYZADRCSA-N 1 2 225.292 0.881 20 0 BCADLO CS(=O)(=O)C[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000569181582 326393822 /nfs/dbraw/zinc/39/38/22/326393822.db2.gz FYIJLCGEABSTAL-VIFPVBQESA-N 1 2 235.324 0.855 20 0 BCADLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000569181582 326393823 /nfs/dbraw/zinc/39/38/23/326393823.db2.gz FYIJLCGEABSTAL-VIFPVBQESA-N 1 2 235.324 0.855 20 0 BCADLO CN(CCn1cccn1)C(=O)Cn1cc[nH+]c1 ZINC000569285765 326399061 /nfs/dbraw/zinc/39/90/61/326399061.db2.gz BJYPIRPEZJJCKA-UHFFFAOYSA-N 1 2 233.275 0.238 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO)[C@@H]1CCC[C@H](OC)C1 ZINC000573093799 326428030 /nfs/dbraw/zinc/42/80/30/326428030.db2.gz IMHIJNUGMBHLHH-OUAUKWLOSA-N 1 2 245.319 0.315 20 0 BCADLO O=S1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000166285715 326432073 /nfs/dbraw/zinc/43/20/73/326432073.db2.gz PPJSTRMOKJXVFZ-UHFFFAOYSA-N 1 2 239.340 0.743 20 0 BCADLO CC1(C)C[N@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000158735056 487973638 /nfs/dbraw/zinc/97/36/38/487973638.db2.gz QZHNMLVSMVGEMO-JTQLQIEISA-N 1 2 226.276 0.646 20 0 BCADLO CC1(C)C[N@@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000158735056 487973640 /nfs/dbraw/zinc/97/36/40/487973640.db2.gz QZHNMLVSMVGEMO-JTQLQIEISA-N 1 2 226.276 0.646 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682516083 487974253 /nfs/dbraw/zinc/97/42/53/487974253.db2.gz ISXFFWNQPWGNDC-UWVGGRQHSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC000682519855 487974996 /nfs/dbraw/zinc/97/49/96/487974996.db2.gz BKCZZHDXYUKSSO-VWYCJHECSA-N 1 2 249.314 0.285 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CC(C)(F)C2)C1 ZINC000655040067 487975534 /nfs/dbraw/zinc/97/55/34/487975534.db2.gz JTGCVTHZISJFMK-UHFFFAOYSA-N 1 2 214.284 0.899 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC000682519851 487975310 /nfs/dbraw/zinc/97/53/10/487975310.db2.gz BKCZZHDXYUKSSO-MXWKQRLJSA-N 1 2 249.314 0.285 20 0 BCADLO O=C(NCc1ccno1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682525093 487975937 /nfs/dbraw/zinc/97/59/37/487975937.db2.gz GUKWQWVJQICOES-VIFPVBQESA-N 1 2 246.270 0.750 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1cnc[nH]1)OC ZINC000661092765 487976806 /nfs/dbraw/zinc/97/68/06/487976806.db2.gz KPGBLUWVIUSVBN-JTQLQIEISA-N 1 2 213.281 0.503 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1cnc[nH]1)OC ZINC000661092765 487976809 /nfs/dbraw/zinc/97/68/09/487976809.db2.gz KPGBLUWVIUSVBN-JTQLQIEISA-N 1 2 213.281 0.503 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(F)C1 ZINC000682529732 487977123 /nfs/dbraw/zinc/97/71/23/487977123.db2.gz FVZBFZOQWAMFII-QMMMGPOBSA-N 1 2 223.251 0.626 20 0 BCADLO Cn1cnnc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682532504 487978687 /nfs/dbraw/zinc/97/86/87/487978687.db2.gz YKMOHXGQZAWZIN-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO O=C(c1ncc[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000667359546 487985538 /nfs/dbraw/zinc/98/55/38/487985538.db2.gz DNYIKQIQTXHRIN-UHFFFAOYSA-N 1 2 220.276 0.330 20 0 BCADLO CC(C)(O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548022 487986663 /nfs/dbraw/zinc/98/66/63/487986663.db2.gz VMOYITZPZFIMRR-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548022 487986670 /nfs/dbraw/zinc/98/66/70/487986670.db2.gz VMOYITZPZFIMRR-QMMMGPOBSA-N 1 2 223.263 0.849 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc[nH]2)C[C@H]1C ZINC000677177533 487991833 /nfs/dbraw/zinc/99/18/33/487991833.db2.gz PDRJTYIYPMOIPE-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc[nH]2)C[C@H]1C ZINC000677177533 487991836 /nfs/dbraw/zinc/99/18/36/487991836.db2.gz PDRJTYIYPMOIPE-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO OCC1(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665704588 487995714 /nfs/dbraw/zinc/99/57/14/487995714.db2.gz PKUIKGAGKJVLGF-UHFFFAOYSA-N 1 2 236.275 0.465 20 0 BCADLO OCC1(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665704588 487995718 /nfs/dbraw/zinc/99/57/18/487995718.db2.gz PKUIKGAGKJVLGF-UHFFFAOYSA-N 1 2 236.275 0.465 20 0 BCADLO CCCCN(C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081912 487996917 /nfs/dbraw/zinc/99/69/17/487996917.db2.gz YUPVGAASLKRDHS-UHFFFAOYSA-N 1 2 246.336 0.476 20 0 BCADLO CCCCN(C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081912 487996921 /nfs/dbraw/zinc/99/69/21/487996921.db2.gz YUPVGAASLKRDHS-UHFFFAOYSA-N 1 2 246.336 0.476 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000668604878 487997874 /nfs/dbraw/zinc/99/78/74/487997874.db2.gz VQANDJNGPRCTTD-IUCAKERBSA-N 1 2 223.276 0.841 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@@H](C)C1 ZINC000134808542 487999561 /nfs/dbraw/zinc/99/95/61/487999561.db2.gz LNAMXWLUZAMFCB-ZETCQYMHSA-N 1 2 224.264 0.293 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@@H](C)C1 ZINC000134808542 487999570 /nfs/dbraw/zinc/99/95/70/487999570.db2.gz LNAMXWLUZAMFCB-ZETCQYMHSA-N 1 2 224.264 0.293 20 0 BCADLO CCN1CC[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000677196781 488000959 /nfs/dbraw/zinc/00/09/59/488000959.db2.gz VRACCOMRZKADPQ-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000677196781 488000964 /nfs/dbraw/zinc/00/09/64/488000964.db2.gz VRACCOMRZKADPQ-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CCc1cc(N(C)CC(C)(CO)CO)nc[nH+]1 ZINC000677232004 488002308 /nfs/dbraw/zinc/00/23/08/488002308.db2.gz NHNOHJSIKDTRBC-UHFFFAOYSA-N 1 2 239.319 0.466 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000682618785 488002326 /nfs/dbraw/zinc/00/23/26/488002326.db2.gz ALBVCHOAIZZQLE-UWVGGRQHSA-N 1 2 245.286 0.622 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644836295 488009183 /nfs/dbraw/zinc/00/91/83/488009183.db2.gz BVNOWVRZDMWVFV-MNOVXSKESA-N 1 2 207.277 0.702 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644836295 488009191 /nfs/dbraw/zinc/00/91/91/488009191.db2.gz BVNOWVRZDMWVFV-MNOVXSKESA-N 1 2 207.277 0.702 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)sn1 ZINC000682673456 488010869 /nfs/dbraw/zinc/01/08/69/488010869.db2.gz PPSOMRJBBGBRFP-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)sn1 ZINC000682673456 488010876 /nfs/dbraw/zinc/01/08/76/488010876.db2.gz PPSOMRJBBGBRFP-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCSC(C)(C)C2)C1=O ZINC000682678688 488013453 /nfs/dbraw/zinc/01/34/53/488013453.db2.gz ZWADKVFMJXQNAX-SECBINFHSA-N 1 2 244.360 0.976 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCSC(C)(C)C2)C1=O ZINC000682678688 488013455 /nfs/dbraw/zinc/01/34/55/488013455.db2.gz ZWADKVFMJXQNAX-SECBINFHSA-N 1 2 244.360 0.976 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682688445 488017608 /nfs/dbraw/zinc/01/76/08/488017608.db2.gz ZDDYUPWBCGLGEB-VWYCJHECSA-N 1 2 249.314 0.427 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000668620474 488021296 /nfs/dbraw/zinc/02/12/96/488021296.db2.gz KOGUXTXBBMSPAH-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC(=O)N(C)CC1 ZINC000668620474 488021299 /nfs/dbraw/zinc/02/12/99/488021299.db2.gz KOGUXTXBBMSPAH-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000081571041 488021379 /nfs/dbraw/zinc/02/13/79/488021379.db2.gz WLNBZQCEIMJGLZ-UHFFFAOYSA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000081571041 488021385 /nfs/dbraw/zinc/02/13/85/488021385.db2.gz WLNBZQCEIMJGLZ-UHFFFAOYSA-N 1 2 234.365 0.752 20 0 BCADLO NC(=O)[C@H]1CCCCN1Cc1c[nH+]c2n1CCC2 ZINC000667478210 488022091 /nfs/dbraw/zinc/02/20/91/488022091.db2.gz BQUFDVAKUFOOQI-LLVKDONJSA-N 1 2 248.330 0.669 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cnn2c1CCC2 ZINC000667480990 488023004 /nfs/dbraw/zinc/02/30/04/488023004.db2.gz CVUSAIUAUOHWPN-UHFFFAOYSA-N 1 2 236.319 0.349 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667480990 488023009 /nfs/dbraw/zinc/02/30/09/488023009.db2.gz CVUSAIUAUOHWPN-UHFFFAOYSA-N 1 2 236.319 0.349 20 0 BCADLO CN(C(=O)[C@@H]1CSC[NH2+]1)c1nccs1 ZINC000074891599 488024564 /nfs/dbraw/zinc/02/45/64/488024564.db2.gz RMEWRYUEAGMIKG-LURJTMIESA-N 1 2 229.330 0.768 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000682768389 488035074 /nfs/dbraw/zinc/03/50/74/488035074.db2.gz ZLOCKNUWUQCSEM-VIFPVBQESA-N 1 2 209.293 0.929 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000668637879 488036911 /nfs/dbraw/zinc/03/69/11/488036911.db2.gz VLRYLBSYNZOEAD-SNVBAGLBSA-N 1 2 249.270 0.934 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682776439 488037735 /nfs/dbraw/zinc/03/77/35/488037735.db2.gz NILGSRGZBSXJGL-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682776439 488037738 /nfs/dbraw/zinc/03/77/38/488037738.db2.gz NILGSRGZBSXJGL-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)NCCCO ZINC000670075566 488050149 /nfs/dbraw/zinc/05/01/49/488050149.db2.gz ZIKJTJSAWANZCO-UHFFFAOYSA-N 1 2 238.291 0.073 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnco1 ZINC000677539163 488066723 /nfs/dbraw/zinc/06/67/23/488066723.db2.gz YGBLPUTXCGQTBP-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnco1 ZINC000677539163 488066731 /nfs/dbraw/zinc/06/67/31/488066731.db2.gz YGBLPUTXCGQTBP-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO COCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080894 488066909 /nfs/dbraw/zinc/06/69/09/488066909.db2.gz YXTWHJSWJOZSTO-UHFFFAOYSA-N 1 2 238.291 0.337 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(C)no2)C1 ZINC000401798780 488068813 /nfs/dbraw/zinc/06/88/13/488068813.db2.gz LFWWUSWBXRCGEC-NSHDSACASA-N 1 2 241.291 0.351 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000401798780 488068817 /nfs/dbraw/zinc/06/88/17/488068817.db2.gz LFWWUSWBXRCGEC-NSHDSACASA-N 1 2 241.291 0.351 20 0 BCADLO Cc1[nH+]cc(CN(C)CC(C)(CO)CO)n1C ZINC000667650349 488073348 /nfs/dbraw/zinc/07/33/48/488073348.db2.gz UVHHOVLMUITENZ-UHFFFAOYSA-N 1 2 241.335 0.151 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667653364 488075580 /nfs/dbraw/zinc/07/55/80/488075580.db2.gz YUIJVAQANZARQL-RKDXNWHRSA-N 1 2 248.286 0.352 20 0 BCADLO COC[C@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000667679906 488084514 /nfs/dbraw/zinc/08/45/14/488084514.db2.gz RDULKWVKHDPLPT-JTQLQIEISA-N 1 2 240.259 0.690 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000683005777 488086312 /nfs/dbraw/zinc/08/63/12/488086312.db2.gz DEKQHWRHNCRKIP-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000683005777 488086315 /nfs/dbraw/zinc/08/63/15/488086315.db2.gz DEKQHWRHNCRKIP-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO CC(C)(CO)NC(=O)CCCn1cc[nH+]c1 ZINC000677646557 488087627 /nfs/dbraw/zinc/08/76/27/488087627.db2.gz SXYMNBZSIJJPBB-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO NC(=O)C[N@H+](Cc1ncccn1)C1CCCC1 ZINC000683006750 488088341 /nfs/dbraw/zinc/08/83/41/488088341.db2.gz KIUMMBYVVDLWKW-UHFFFAOYSA-N 1 2 234.303 0.707 20 0 BCADLO NC(=O)C[N@@H+](Cc1ncccn1)C1CCCC1 ZINC000683006750 488088344 /nfs/dbraw/zinc/08/83/44/488088344.db2.gz KIUMMBYVVDLWKW-UHFFFAOYSA-N 1 2 234.303 0.707 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@]23CCNC3=O)o1 ZINC000516311376 488095316 /nfs/dbraw/zinc/09/53/16/488095316.db2.gz WOQIFFFPDNDHDY-LBPRGKRZSA-N 1 2 235.287 0.838 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@]23CCNC3=O)o1 ZINC000516311376 488095321 /nfs/dbraw/zinc/09/53/21/488095321.db2.gz WOQIFFFPDNDHDY-LBPRGKRZSA-N 1 2 235.287 0.838 20 0 BCADLO CCn1ccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000667707692 488096071 /nfs/dbraw/zinc/09/60/71/488096071.db2.gz GJTSCJADDHDOGO-UHFFFAOYSA-N 1 2 234.263 0.948 20 0 BCADLO CCCn1nccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000667711068 488096889 /nfs/dbraw/zinc/09/68/89/488096889.db2.gz WRHZWMUFFRXSSJ-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCCn1nccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000667711068 488096894 /nfs/dbraw/zinc/09/68/94/488096894.db2.gz WRHZWMUFFRXSSJ-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000683019916 488096726 /nfs/dbraw/zinc/09/67/26/488096726.db2.gz XJYZXCBSLZZZOJ-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000683019916 488096727 /nfs/dbraw/zinc/09/67/27/488096727.db2.gz XJYZXCBSLZZZOJ-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO CCc1cnc(C[N@@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000677715725 488099255 /nfs/dbraw/zinc/09/92/55/488099255.db2.gz UPDMMSOCWAHUBF-SECBINFHSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1cnc(C[N@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000677715725 488099256 /nfs/dbraw/zinc/09/92/56/488099256.db2.gz UPDMMSOCWAHUBF-SECBINFHSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1cnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000677715726 488099029 /nfs/dbraw/zinc/09/90/29/488099029.db2.gz UPDMMSOCWAHUBF-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO CCc1cnc(C[N@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000677715726 488099035 /nfs/dbraw/zinc/09/90/35/488099035.db2.gz UPDMMSOCWAHUBF-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000683038785 488101898 /nfs/dbraw/zinc/10/18/98/488101898.db2.gz UUNWEPUKIHTGMG-RKDXNWHRSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000683038785 488101902 /nfs/dbraw/zinc/10/19/02/488101902.db2.gz UUNWEPUKIHTGMG-RKDXNWHRSA-N 1 2 210.281 0.283 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1C1CC1 ZINC000677728709 488106041 /nfs/dbraw/zinc/10/60/41/488106041.db2.gz NMDYJYRVKNOSPP-GZMMTYOYSA-N 1 2 236.319 0.877 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1C1CC1 ZINC000677728709 488106046 /nfs/dbraw/zinc/10/60/46/488106046.db2.gz NMDYJYRVKNOSPP-GZMMTYOYSA-N 1 2 236.319 0.877 20 0 BCADLO OCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682549330 488117815 /nfs/dbraw/zinc/11/78/15/488117815.db2.gz XJMYZFPYERJDBC-QMMMGPOBSA-N 1 2 209.236 0.461 20 0 BCADLO OCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682549330 488117822 /nfs/dbraw/zinc/11/78/22/488117822.db2.gz XJMYZFPYERJDBC-QMMMGPOBSA-N 1 2 209.236 0.461 20 0 BCADLO O=C(c1cnco1)N1CC[NH+](C2CC2)CC1 ZINC000677524780 488122808 /nfs/dbraw/zinc/12/28/08/488122808.db2.gz SNMYIXCRBQRMGC-UHFFFAOYSA-N 1 2 221.260 0.595 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H]1C1CC1 ZINC000677797446 488124041 /nfs/dbraw/zinc/12/40/41/488124041.db2.gz WXESSDQEOGAHLT-NSHDSACASA-N 1 2 235.287 0.521 20 0 BCADLO C[C@H](CNC(=O)CCCF)[NH+]1CCN(C)CC1 ZINC000668696631 488126139 /nfs/dbraw/zinc/12/61/39/488126139.db2.gz SGPQXRXOXILPDP-LLVKDONJSA-N 1 2 245.342 0.488 20 0 BCADLO C[C@H](C(=O)NC1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000677802665 488126026 /nfs/dbraw/zinc/12/60/26/488126026.db2.gz QXPBMTIGDAALFL-MRVPVSSYSA-N 1 2 222.292 0.509 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668789676 487539798 /nfs/dbraw/zinc/53/97/98/487539798.db2.gz BSXAQAQKSOMFNJ-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCCn1nccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668789676 487539806 /nfs/dbraw/zinc/53/98/06/487539806.db2.gz BSXAQAQKSOMFNJ-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CNC(=O)CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000668790555 487542397 /nfs/dbraw/zinc/54/23/97/487542397.db2.gz PDBNEMQYKSFIAD-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC=CC2)C1 ZINC000655222478 487543691 /nfs/dbraw/zinc/54/36/91/487543691.db2.gz CGVKQWZKRQXUDG-JTQLQIEISA-N 1 2 224.304 0.542 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CC=CC2)C1 ZINC000655222478 487543698 /nfs/dbraw/zinc/54/36/98/487543698.db2.gz CGVKQWZKRQXUDG-JTQLQIEISA-N 1 2 224.304 0.542 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1oc(C)nc1C ZINC000685561303 487544076 /nfs/dbraw/zinc/54/40/76/487544076.db2.gz KYXREEKKSQGZGC-UHFFFAOYSA-N 1 2 211.265 0.469 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1oc(C)nc1C ZINC000685561303 487544082 /nfs/dbraw/zinc/54/40/82/487544082.db2.gz KYXREEKKSQGZGC-UHFFFAOYSA-N 1 2 211.265 0.469 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000685564787 487547492 /nfs/dbraw/zinc/54/74/92/487547492.db2.gz HONDROPJNYGSFK-SNVBAGLBSA-N 1 2 237.303 0.954 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000685564787 487547494 /nfs/dbraw/zinc/54/74/94/487547494.db2.gz HONDROPJNYGSFK-SNVBAGLBSA-N 1 2 237.303 0.954 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CC(=O)N1CCCC1 ZINC000674236424 487530457 /nfs/dbraw/zinc/53/04/57/487530457.db2.gz VDYLRBDANACMPB-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000674236424 487530460 /nfs/dbraw/zinc/53/04/60/487530460.db2.gz VDYLRBDANACMPB-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO C[C@@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000665839738 487551460 /nfs/dbraw/zinc/55/14/60/487551460.db2.gz QZULWSJLOHEYJM-BDAKNGLRSA-N 1 2 240.307 0.409 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nccn2C(C)C)C[C@H]1O ZINC000668224638 487482700 /nfs/dbraw/zinc/48/27/00/487482700.db2.gz SLRGTQVKRNMKGF-GHMZBOCLSA-N 1 2 239.319 0.656 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nccn2C(C)C)C[C@H]1O ZINC000668224638 487482707 /nfs/dbraw/zinc/48/27/07/487482707.db2.gz SLRGTQVKRNMKGF-GHMZBOCLSA-N 1 2 239.319 0.656 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H]1CCCNC1=O)CC2 ZINC000679867808 487477142 /nfs/dbraw/zinc/47/71/42/487477142.db2.gz HXCFJTYEVCPEDQ-JTQLQIEISA-N 1 2 234.303 0.286 20 0 BCADLO CCOC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000673913485 487477814 /nfs/dbraw/zinc/47/78/14/487477814.db2.gz MMOVTVRPQKOXSA-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)sn1 ZINC000682672273 487478818 /nfs/dbraw/zinc/47/88/18/487478818.db2.gz ADGFKDBBIGKPPP-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)sn1 ZINC000682672273 487478827 /nfs/dbraw/zinc/47/88/27/487478827.db2.gz ADGFKDBBIGKPPP-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000673936062 487484178 /nfs/dbraw/zinc/48/41/78/487484178.db2.gz TZTHTTDSJMXJEA-ZETCQYMHSA-N 1 2 237.259 0.062 20 0 BCADLO CCNC(=O)C[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000685000731 487489320 /nfs/dbraw/zinc/48/93/20/487489320.db2.gz PXKKENRMBLUBOQ-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO CCNC(=O)C[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000685000731 487489323 /nfs/dbraw/zinc/48/93/23/487489323.db2.gz PXKKENRMBLUBOQ-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO CCn1cnc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000668758959 487492135 /nfs/dbraw/zinc/49/21/35/487492135.db2.gz OUZHXXRPEDSAJX-UHFFFAOYSA-N 1 2 245.286 0.797 20 0 BCADLO CC(C)[N@@H+](Cc1nnn(C)n1)CC1CC1 ZINC000685037162 487493217 /nfs/dbraw/zinc/49/32/17/487493217.db2.gz SVFPWXHPGBNJKQ-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO CC(C)[N@H+](Cc1nnn(C)n1)CC1CC1 ZINC000685037162 487493218 /nfs/dbraw/zinc/49/32/18/487493218.db2.gz SVFPWXHPGBNJKQ-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO COCC1([N@H+](C)Cc2ncnn2CCF)CC1 ZINC000685038268 487494657 /nfs/dbraw/zinc/49/46/57/487494657.db2.gz ZWOWTUUHUMIMJP-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO COCC1([N@@H+](C)Cc2ncnn2CCF)CC1 ZINC000685038268 487494662 /nfs/dbraw/zinc/49/46/62/487494662.db2.gz ZWOWTUUHUMIMJP-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000679932312 487495930 /nfs/dbraw/zinc/49/59/30/487495930.db2.gz ASVPWWSZGMIRMD-HTQZYQBOSA-N 1 2 239.323 0.817 20 0 BCADLO Cc1nc(N[C@H](C)C[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000679932312 487495932 /nfs/dbraw/zinc/49/59/32/487495932.db2.gz ASVPWWSZGMIRMD-HTQZYQBOSA-N 1 2 239.323 0.817 20 0 BCADLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000674011541 487499234 /nfs/dbraw/zinc/49/92/34/487499234.db2.gz VNMWJADFGCVUIG-JTQLQIEISA-N 1 2 225.248 0.070 20 0 BCADLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000674011541 487499243 /nfs/dbraw/zinc/49/92/43/487499243.db2.gz VNMWJADFGCVUIG-JTQLQIEISA-N 1 2 225.248 0.070 20 0 BCADLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000674011547 487499256 /nfs/dbraw/zinc/49/92/56/487499256.db2.gz VNMWJADFGCVUIG-SNVBAGLBSA-N 1 2 225.248 0.070 20 0 BCADLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000674011547 487499260 /nfs/dbraw/zinc/49/92/60/487499260.db2.gz VNMWJADFGCVUIG-SNVBAGLBSA-N 1 2 225.248 0.070 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000679952573 487501954 /nfs/dbraw/zinc/50/19/54/487501954.db2.gz AJZABCIKSLBKTJ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000679952573 487501957 /nfs/dbraw/zinc/50/19/57/487501957.db2.gz AJZABCIKSLBKTJ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC000680000118 487513660 /nfs/dbraw/zinc/51/36/60/487513660.db2.gz CDKASJDOEJRXSH-UHFFFAOYSA-N 1 2 217.276 0.930 20 0 BCADLO Cc1cn2c(n1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC000680000118 487513662 /nfs/dbraw/zinc/51/36/62/487513662.db2.gz CDKASJDOEJRXSH-UHFFFAOYSA-N 1 2 217.276 0.930 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000685441558 487522897 /nfs/dbraw/zinc/52/28/97/487522897.db2.gz MQCJPYXEWMGHSW-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000685441558 487522900 /nfs/dbraw/zinc/52/29/00/487522900.db2.gz MQCJPYXEWMGHSW-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000685441557 487523082 /nfs/dbraw/zinc/52/30/82/487523082.db2.gz MQCJPYXEWMGHSW-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000685441557 487523087 /nfs/dbraw/zinc/52/30/87/487523087.db2.gz MQCJPYXEWMGHSW-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1 ZINC000339355158 488152405 /nfs/dbraw/zinc/15/24/05/488152405.db2.gz AMTNHJWJYICVGY-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1 ZINC000339355158 488152411 /nfs/dbraw/zinc/15/24/11/488152411.db2.gz AMTNHJWJYICVGY-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685471041 487535298 /nfs/dbraw/zinc/53/52/98/487535298.db2.gz OVAOSVWMVQTJLT-GXSJLCMTSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685471041 487535303 /nfs/dbraw/zinc/53/53/03/487535303.db2.gz OVAOSVWMVQTJLT-GXSJLCMTSA-N 1 2 225.292 0.381 20 0 BCADLO c1cc([C@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n[nH]1 ZINC000670990567 487577061 /nfs/dbraw/zinc/57/70/61/487577061.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990567 487577066 /nfs/dbraw/zinc/57/70/66/487577066.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990567 487577072 /nfs/dbraw/zinc/57/70/72/487577072.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n[nH]1 ZINC000670990567 487577076 /nfs/dbraw/zinc/57/70/76/487577076.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n[nH]1 ZINC000670990567 487577081 /nfs/dbraw/zinc/57/70/81/487577081.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 1 2 232.291 0.907 20 0 BCADLO CN(C)c1ncc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000678266407 487784954 /nfs/dbraw/zinc/78/49/54/487784954.db2.gz PNWUQRKEMORDCP-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO CN(C)c1ncc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000678266407 487784957 /nfs/dbraw/zinc/78/49/57/487784957.db2.gz PNWUQRKEMORDCP-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO Cc1nnc(-n2c[nH+]c(CCCO)c2)nc1C ZINC000681385415 487790063 /nfs/dbraw/zinc/79/00/63/487790063.db2.gz VZWSQJNKOGZKHY-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](O)C1)n1cc[nH+]c1 ZINC000651632181 487804561 /nfs/dbraw/zinc/80/45/61/487804561.db2.gz GVABJUIKUFFHLC-GMTAPVOTSA-N 1 2 237.303 0.673 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cn[nH]c1 ZINC000681754515 487854594 /nfs/dbraw/zinc/85/45/94/487854594.db2.gz VDQTYQTVCWHUPP-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000681754515 487854595 /nfs/dbraw/zinc/85/45/95/487854595.db2.gz VDQTYQTVCWHUPP-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147996 487980701 /nfs/dbraw/zinc/98/07/01/487980701.db2.gz AUTSKOUSGNTFJS-IUCAKERBSA-N 1 2 223.276 0.349 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)CO ZINC000134906663 488005219 /nfs/dbraw/zinc/00/52/19/488005219.db2.gz LYEJYTIYHNCGTK-ZCFIWIBFSA-N 1 2 212.253 0.108 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)CO ZINC000134906663 488005220 /nfs/dbraw/zinc/00/52/20/488005220.db2.gz LYEJYTIYHNCGTK-ZCFIWIBFSA-N 1 2 212.253 0.108 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnco1 ZINC000677514449 488061393 /nfs/dbraw/zinc/06/13/93/488061393.db2.gz XTITYOCDBZWMRX-UHFFFAOYSA-N 1 2 206.205 0.301 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnco1 ZINC000677560377 488074260 /nfs/dbraw/zinc/07/42/60/488074260.db2.gz OOOIYKMVRNQCQJ-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CCOc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000677572161 488077499 /nfs/dbraw/zinc/07/74/99/488077499.db2.gz SZOYFAUUKNZWHH-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000677572161 488077503 /nfs/dbraw/zinc/07/75/03/488077503.db2.gz SZOYFAUUKNZWHH-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000085182703 488134921 /nfs/dbraw/zinc/13/49/21/488134921.db2.gz FMFPPGJHACBWRR-NSHDSACASA-N 1 2 223.276 0.859 20 0 BCADLO Cn1c[nH+]cc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000085182703 488134924 /nfs/dbraw/zinc/13/49/24/488134924.db2.gz FMFPPGJHACBWRR-NSHDSACASA-N 1 2 223.276 0.859 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnc2[nH]cnc2c1 ZINC000677896745 488151825 /nfs/dbraw/zinc/15/18/25/488151825.db2.gz OIQDQNROUSJDML-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnc2[nH]cnc2c1 ZINC000677896745 488151829 /nfs/dbraw/zinc/15/18/29/488151829.db2.gz OIQDQNROUSJDML-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683401547 488157718 /nfs/dbraw/zinc/15/77/18/488157718.db2.gz ZPRQHBXKRXJKDO-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccnc(OC)n2)nn1 ZINC000404457910 488162178 /nfs/dbraw/zinc/16/21/78/488162178.db2.gz QUIIVJHOTVPJOF-UHFFFAOYSA-N 1 2 248.290 0.386 20 0 BCADLO CC(C)N1CC[C@@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000677950043 488162654 /nfs/dbraw/zinc/16/26/54/488162654.db2.gz IMOZOZQJSSNVJB-SNVBAGLBSA-N 1 2 236.319 0.851 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1ccno1 ZINC000683445737 488163266 /nfs/dbraw/zinc/16/32/66/488163266.db2.gz OIBQFHBBFCSKQX-UHFFFAOYSA-N 1 2 230.231 0.904 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC(=O)CC1 ZINC000677945451 488163263 /nfs/dbraw/zinc/16/32/63/488163263.db2.gz YYYNLWRALXKLDM-UHFFFAOYSA-N 1 2 235.287 0.855 20 0 BCADLO CC(C)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000134963550 488170147 /nfs/dbraw/zinc/17/01/47/488170147.db2.gz GDCZRFAOXWNUFG-VIFPVBQESA-N 1 2 235.291 0.792 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000683485367 488174083 /nfs/dbraw/zinc/17/40/83/488174083.db2.gz QRQAJQFFZLYAGE-IUCAKERBSA-N 1 2 238.291 0.397 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CCCF ZINC000667999723 488180279 /nfs/dbraw/zinc/18/02/79/488180279.db2.gz MZLFUSSGDZOPAG-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000683521111 488184366 /nfs/dbraw/zinc/18/43/66/488184366.db2.gz CPCRAPIXGAASDG-LLVKDONJSA-N 1 2 239.319 0.555 20 0 BCADLO CCOCC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000683521111 488184369 /nfs/dbraw/zinc/18/43/69/488184369.db2.gz CPCRAPIXGAASDG-LLVKDONJSA-N 1 2 239.319 0.555 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000683521111 488184372 /nfs/dbraw/zinc/18/43/72/488184372.db2.gz CPCRAPIXGAASDG-LLVKDONJSA-N 1 2 239.319 0.555 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044961 488194645 /nfs/dbraw/zinc/19/46/45/488194645.db2.gz DAGZPFJKEOWAJE-JOYOIKCWSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044961 488194647 /nfs/dbraw/zinc/19/46/47/488194647.db2.gz DAGZPFJKEOWAJE-JOYOIKCWSA-N 1 2 236.319 0.958 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000678124503 488195665 /nfs/dbraw/zinc/19/56/65/488195665.db2.gz ZXYXWIDJXMJTBK-VIFPVBQESA-N 1 2 208.265 0.250 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000678124503 488195667 /nfs/dbraw/zinc/19/56/67/488195667.db2.gz ZXYXWIDJXMJTBK-VIFPVBQESA-N 1 2 208.265 0.250 20 0 BCADLO O=C(NC1(CO)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000678092792 488196274 /nfs/dbraw/zinc/19/62/74/488196274.db2.gz PUXITBUMAKQKMP-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO O=C(NC1(CO)CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000678095340 488196799 /nfs/dbraw/zinc/19/67/99/488196799.db2.gz UKHMZONZTSLWTH-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@H](CO)C2)c(C)c[nH+]1 ZINC000678097056 488197536 /nfs/dbraw/zinc/19/75/36/488197536.db2.gz NQAJXVAYFZETPL-NSHDSACASA-N 1 2 249.314 0.966 20 0 BCADLO O=C([C@H](O)C1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668084316 488198998 /nfs/dbraw/zinc/19/89/98/488198998.db2.gz HHNGBKKWMCPOQW-GFCCVEGCSA-N 1 2 248.282 0.442 20 0 BCADLO C[N@H+](Cc1cnns1)C(C)(C)CO ZINC000308274322 488200109 /nfs/dbraw/zinc/20/01/09/488200109.db2.gz UQWGVRAHLOMMFW-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO C[N@@H+](Cc1cnns1)C(C)(C)CO ZINC000308274322 488200111 /nfs/dbraw/zinc/20/01/11/488200111.db2.gz UQWGVRAHLOMMFW-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cn[nH]c1 ZINC000678124960 488201620 /nfs/dbraw/zinc/20/16/20/488201620.db2.gz GWKWKRLZHRTBNO-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cn[nH]c1 ZINC000678124960 488201622 /nfs/dbraw/zinc/20/16/22/488201622.db2.gz GWKWKRLZHRTBNO-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000677728597 488203822 /nfs/dbraw/zinc/20/38/22/488203822.db2.gz KLOYNZKLELBWJH-HTQZYQBOSA-N 1 2 225.248 0.068 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000677728597 488203825 /nfs/dbraw/zinc/20/38/25/488203825.db2.gz KLOYNZKLELBWJH-HTQZYQBOSA-N 1 2 225.248 0.068 20 0 BCADLO Cc1ccc(NC[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000085791168 488204970 /nfs/dbraw/zinc/20/49/70/488204970.db2.gz XBOXPJBFXPVBLH-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000085791168 488204972 /nfs/dbraw/zinc/20/49/72/488204972.db2.gz XBOXPJBFXPVBLH-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cn2ccc(NC(=O)NCCO)cc2[nH+]1 ZINC000668152373 488211070 /nfs/dbraw/zinc/21/10/70/488211070.db2.gz JSBMGTROPCQHEU-UHFFFAOYSA-N 1 2 234.259 0.757 20 0 BCADLO Cn1nnc(CNc2cc[nH+]c(C(C)(C)C)n2)n1 ZINC000683759133 488217509 /nfs/dbraw/zinc/21/75/09/488217509.db2.gz NLTGNDSDCWEEBB-UHFFFAOYSA-N 1 2 247.306 0.910 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)N(C)C)o1 ZINC000231651202 488219062 /nfs/dbraw/zinc/21/90/62/488219062.db2.gz MBCLRLZFTXENQS-QMMMGPOBSA-N 1 2 211.265 0.549 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H]1COC ZINC000683782560 488220407 /nfs/dbraw/zinc/22/04/07/488220407.db2.gz UEDBRDYXRPVMBN-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H]1COC ZINC000683782560 488220410 /nfs/dbraw/zinc/22/04/10/488220410.db2.gz UEDBRDYXRPVMBN-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000668220399 488230114 /nfs/dbraw/zinc/23/01/14/488230114.db2.gz OTGBFJSWGYZMRF-LLVKDONJSA-N 1 2 248.330 0.747 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000668220399 488230115 /nfs/dbraw/zinc/23/01/15/488230115.db2.gz OTGBFJSWGYZMRF-LLVKDONJSA-N 1 2 248.330 0.747 20 0 BCADLO COCC[N@H+](Cc1cn[nH]c1)Cc1ccnn1C ZINC000683848094 488231733 /nfs/dbraw/zinc/23/17/33/488231733.db2.gz YYGRKHALGMJEFT-UHFFFAOYSA-N 1 2 249.318 0.792 20 0 BCADLO COCC[N@@H+](Cc1cn[nH]c1)Cc1ccnn1C ZINC000683848094 488231736 /nfs/dbraw/zinc/23/17/36/488231736.db2.gz YYGRKHALGMJEFT-UHFFFAOYSA-N 1 2 249.318 0.792 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCn2nccc21 ZINC000671912411 488233496 /nfs/dbraw/zinc/23/34/96/488233496.db2.gz YBSKWNGVTJGPOL-UHFFFAOYSA-N 1 2 217.232 0.126 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683898197 488240440 /nfs/dbraw/zinc/24/04/40/488240440.db2.gz GVBXPJBBHXFRQQ-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000683898197 488240443 /nfs/dbraw/zinc/24/04/43/488240443.db2.gz GVBXPJBBHXFRQQ-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccncn1 ZINC000672146766 488240699 /nfs/dbraw/zinc/24/06/99/488240699.db2.gz BQYVODRKMPTSLW-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000672146618 488240766 /nfs/dbraw/zinc/24/07/66/488240766.db2.gz QODXKVCLMILDGX-SECBINFHSA-N 1 2 231.259 0.351 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148564 488240852 /nfs/dbraw/zinc/24/08/52/488240852.db2.gz RJVRCJJABRCHTN-KOLCDFICSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCOC1 ZINC000672152425 488241652 /nfs/dbraw/zinc/24/16/52/488241652.db2.gz KBQFRKQJLGHGOB-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150978 488241719 /nfs/dbraw/zinc/24/17/19/488241719.db2.gz LGWSPCQFROXKKD-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153103 488241756 /nfs/dbraw/zinc/24/17/56/488241756.db2.gz RGFNPCZHYVVPPE-LLVKDONJSA-N 1 2 244.298 0.966 20 0 BCADLO O=C(C[C@@H]1CCOC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157953 488242604 /nfs/dbraw/zinc/24/26/04/488242604.db2.gz LGWSPCQFROXKKD-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155015 488242616 /nfs/dbraw/zinc/24/26/16/488242616.db2.gz WILLJRVODCVFEC-FXPVBKGRSA-N 1 2 219.288 0.970 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155016 488242645 /nfs/dbraw/zinc/24/26/45/488242645.db2.gz WILLJRVODCVFEC-WCABBAIRSA-N 1 2 219.288 0.970 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155319 488242708 /nfs/dbraw/zinc/24/27/08/488242708.db2.gz VMANREWNSRUDOU-JTQLQIEISA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)(C(=O)NCc1cc[nH]n1)c1c[nH]c[nH+]1 ZINC000683918131 488244288 /nfs/dbraw/zinc/24/42/88/488244288.db2.gz FBXXSXMCNHGWSV-UHFFFAOYSA-N 1 2 233.275 0.727 20 0 BCADLO CC1(C)CN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000683922218 488245306 /nfs/dbraw/zinc/24/53/06/488245306.db2.gz ROCAVMUYLFZNPM-UHFFFAOYSA-N 1 2 241.335 0.370 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cc3ccccc3[nH]2)n1 ZINC000683931083 488247167 /nfs/dbraw/zinc/24/71/67/488247167.db2.gz NPLBDTXKFQYRDZ-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)CC2CC2)c[nH+]1 ZINC000678389191 488250467 /nfs/dbraw/zinc/25/04/67/488250467.db2.gz HGISACOOGHNLJF-VIFPVBQESA-N 1 2 223.276 0.609 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H](C)c1nncn1C)CC2 ZINC000672553324 488259858 /nfs/dbraw/zinc/25/98/58/488259858.db2.gz PEBIAYKDNICNKM-SNVBAGLBSA-N 1 2 246.318 0.897 20 0 BCADLO CC1(C)C[N@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000684107801 488267445 /nfs/dbraw/zinc/26/74/45/488267445.db2.gz SOMBVCSLRKBEAP-MRVPVSSYSA-N 1 2 239.275 0.316 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000684107801 488267448 /nfs/dbraw/zinc/26/74/48/488267448.db2.gz SOMBVCSLRKBEAP-MRVPVSSYSA-N 1 2 239.275 0.316 20 0 BCADLO COc1cccnc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000672914392 488268990 /nfs/dbraw/zinc/26/89/90/488268990.db2.gz POTNSHXKNJPBFI-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1cccnc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000672914392 488268992 /nfs/dbraw/zinc/26/89/92/488268992.db2.gz POTNSHXKNJPBFI-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCC1CC1 ZINC000672936429 488269370 /nfs/dbraw/zinc/26/93/70/488269370.db2.gz DKGQRZONFPVYDW-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cnn(C)c1 ZINC000678593585 488269473 /nfs/dbraw/zinc/26/94/73/488269473.db2.gz XCAZGSRZJPSUBN-QMMMGPOBSA-N 1 2 247.306 0.592 20 0 BCADLO COc1n[nH]c(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000679319657 488334514 /nfs/dbraw/zinc/33/45/14/488334514.db2.gz QZVVQEPHNAFHFN-SSDOTTSWSA-N 1 2 239.279 0.236 20 0 BCADLO COc1n[nH]c(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000679319657 488334517 /nfs/dbraw/zinc/33/45/17/488334517.db2.gz QZVVQEPHNAFHFN-SSDOTTSWSA-N 1 2 239.279 0.236 20 0 BCADLO C[C@H]1OCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000673009312 488271400 /nfs/dbraw/zinc/27/14/00/488271400.db2.gz WMZQAVOAOQUMKA-NXEZZACHSA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000678718700 488278159 /nfs/dbraw/zinc/27/81/59/488278159.db2.gz MXYFVXUASVQDRW-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000678718700 488278161 /nfs/dbraw/zinc/27/81/61/488278161.db2.gz MXYFVXUASVQDRW-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO CCc1noc(C[NH2+][C@H](C(=O)NC)C(C)C)n1 ZINC000678779263 488282087 /nfs/dbraw/zinc/28/20/87/488282087.db2.gz UMFISKWIRRWYNU-JTQLQIEISA-N 1 2 240.307 0.492 20 0 BCADLO CN(CC(=O)NC1CC1)c1cc[nH+]cc1F ZINC000678788906 488283152 /nfs/dbraw/zinc/28/31/52/488283152.db2.gz QMEXFMBGYLOADW-UHFFFAOYSA-N 1 2 223.251 0.936 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC(C)(F)C1 ZINC000684263983 488283224 /nfs/dbraw/zinc/28/32/24/488283224.db2.gz NQGVHKTVPRHCAH-UHFFFAOYSA-N 1 2 226.255 0.674 20 0 BCADLO CCc1nn(C)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000678843683 488290321 /nfs/dbraw/zinc/29/03/21/488290321.db2.gz MSPKHWNNXMSOBE-NSHDSACASA-N 1 2 236.319 0.303 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000678843683 488290323 /nfs/dbraw/zinc/29/03/23/488290323.db2.gz MSPKHWNNXMSOBE-NSHDSACASA-N 1 2 236.319 0.303 20 0 BCADLO COc1cccc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000673653124 488300210 /nfs/dbraw/zinc/30/02/10/488300210.db2.gz XUUBFLFQYMYUGG-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO CCc1c(C(=O)NCCc2[nH]cc[nH+]2)cnn1C ZINC000673666643 488301374 /nfs/dbraw/zinc/30/13/74/488301374.db2.gz USGJASPBRWGARL-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO COCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673722937 488305639 /nfs/dbraw/zinc/30/56/39/488305639.db2.gz ITDPQZJZEIKGJW-UHFFFAOYSA-N 1 2 247.298 0.948 20 0 BCADLO COCc1noc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000679153494 488313577 /nfs/dbraw/zinc/31/35/77/488313577.db2.gz QYGSYXXTSDGDKF-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000679153494 488313578 /nfs/dbraw/zinc/31/35/78/488313578.db2.gz QYGSYXXTSDGDKF-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)O ZINC000684453809 488315119 /nfs/dbraw/zinc/31/51/19/488315119.db2.gz QLXHVXDZWFMCKY-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)O ZINC000684453809 488315120 /nfs/dbraw/zinc/31/51/20/488315120.db2.gz QLXHVXDZWFMCKY-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1F ZINC000679217383 488317646 /nfs/dbraw/zinc/31/76/46/488317646.db2.gz CBJZLUOIJIACLA-BDAKNGLRSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1F ZINC000679217383 488317648 /nfs/dbraw/zinc/31/76/48/488317648.db2.gz CBJZLUOIJIACLA-BDAKNGLRSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@@H]1F ZINC000679221322 488319032 /nfs/dbraw/zinc/31/90/32/488319032.db2.gz GIGUNUCAHACFQM-BDAKNGLRSA-N 1 2 243.282 0.218 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1F ZINC000679221322 488319034 /nfs/dbraw/zinc/31/90/34/488319034.db2.gz GIGUNUCAHACFQM-BDAKNGLRSA-N 1 2 243.282 0.218 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C[C@H]1F ZINC000679222564 488319785 /nfs/dbraw/zinc/31/97/85/488319785.db2.gz OCQZRKFHKVLXTD-HLTSFMKQSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C[C@H]1F ZINC000679222564 488319786 /nfs/dbraw/zinc/31/97/86/488319786.db2.gz OCQZRKFHKVLXTD-HLTSFMKQSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C[C@H]1F ZINC000679222566 488319930 /nfs/dbraw/zinc/31/99/30/488319930.db2.gz OCQZRKFHKVLXTD-IWSPIJDZSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C[C@H]1F ZINC000679222566 488319931 /nfs/dbraw/zinc/31/99/31/488319931.db2.gz OCQZRKFHKVLXTD-IWSPIJDZSA-N 1 2 200.257 0.555 20 0 BCADLO Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc[nH+]1 ZINC000684603432 488331366 /nfs/dbraw/zinc/33/13/66/488331366.db2.gz YRJVANFQLSYGJY-GHMZBOCLSA-N 1 2 237.303 0.842 20 0 BCADLO CN(CCCS(C)(=O)=O)Cc1c[nH]c[nH+]1 ZINC000684619507 488333763 /nfs/dbraw/zinc/33/37/63/488333763.db2.gz AQFCZNDZCGXKQW-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO CN(CCCS(C)(=O)=O)Cc1c[nH+]c[nH]1 ZINC000684619507 488333761 /nfs/dbraw/zinc/33/37/61/488333761.db2.gz AQFCZNDZCGXKQW-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO C[C@H](C(=O)N1CC=CCC1)[NH+]1CCN(C)CC1 ZINC000679325207 488338303 /nfs/dbraw/zinc/33/83/03/488338303.db2.gz HJMGWYAKSXTWTI-GFCCVEGCSA-N 1 2 237.347 0.411 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000679345253 488342511 /nfs/dbraw/zinc/34/25/11/488342511.db2.gz QERVEAWLYOWINS-KWQFWETISA-N 1 2 236.319 0.990 20 0 BCADLO O=C(C[NH+]1CCOCC1)N1C2CCC1CC2 ZINC000679363510 488346963 /nfs/dbraw/zinc/34/69/63/488346963.db2.gz SIAKOLSHQQAMAX-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO CN(C)[C@H](C(=O)Nc1cc[nH]n1)c1c[nH+]cn1C ZINC000684832043 488347259 /nfs/dbraw/zinc/34/72/59/488347259.db2.gz NDHOMMACZWOJTH-JTQLQIEISA-N 1 2 248.290 0.385 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679684736 488364804 /nfs/dbraw/zinc/36/48/04/488364804.db2.gz UTJSEMFKFGPHIW-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679684736 488364806 /nfs/dbraw/zinc/36/48/06/488364806.db2.gz UTJSEMFKFGPHIW-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO Cc1nc(NC[C@@H]2CCCN(C(N)=O)C2)cc[nH+]1 ZINC000340909545 490101830 /nfs/dbraw/zinc/10/18/30/490101830.db2.gz IQQZMYFGXSMJMV-JTQLQIEISA-N 1 2 249.318 0.988 20 0 BCADLO Cc1nc(NC[C@H](O)[C@@H]2CCCO2)cc[nH+]1 ZINC000528140626 490102560 /nfs/dbraw/zinc/10/25/60/490102560.db2.gz UCHRHYXPDPXCOI-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1ccc(NC[C@H]2CN(C)CC[N@@H+]2C)nn1 ZINC000068806782 490131345 /nfs/dbraw/zinc/13/13/45/490131345.db2.gz XAFPIOOEICZLLW-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1ccc(NC[C@H]2CN(C)CC[N@H+]2C)nn1 ZINC000068806782 490131351 /nfs/dbraw/zinc/13/13/51/490131351.db2.gz XAFPIOOEICZLLW-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1ccnc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000683019881 490155009 /nfs/dbraw/zinc/15/50/09/490155009.db2.gz WHXVYNKTHPEJRO-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO Cc1nc(N)c(CNC(=O)CC(C)C)c[nH+]1 ZINC000390373243 490203336 /nfs/dbraw/zinc/20/33/36/490203336.db2.gz WMIVECJDRZTTBH-UHFFFAOYSA-N 1 2 222.292 1.030 20 0 BCADLO Cn1nccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000130094416 490223298 /nfs/dbraw/zinc/22/32/98/490223298.db2.gz JGOYKMJLVGADPE-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1nccc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000130094416 490223304 /nfs/dbraw/zinc/22/33/04/490223304.db2.gz JGOYKMJLVGADPE-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO O=S(=O)(C[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000070820036 490238898 /nfs/dbraw/zinc/23/88/98/490238898.db2.gz XPMJCSQZWZJKLV-QMMMGPOBSA-N 1 2 245.304 0.008 20 0 BCADLO Cc1ccnc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000068806513 490262583 /nfs/dbraw/zinc/26/25/83/490262583.db2.gz DRTXFZLTFZPMMO-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1ccnc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000068806513 490262586 /nfs/dbraw/zinc/26/25/86/490262586.db2.gz DRTXFZLTFZPMMO-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619358477 490265667 /nfs/dbraw/zinc/26/56/67/490265667.db2.gz IJAMAQFONHPKCW-IJLUTSLNSA-N 1 2 238.331 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619358477 490265674 /nfs/dbraw/zinc/26/56/74/490265674.db2.gz IJAMAQFONHPKCW-IJLUTSLNSA-N 1 2 238.331 0.576 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000092619086 490359384 /nfs/dbraw/zinc/35/93/84/490359384.db2.gz CLELMIOSNICGOE-OCAPTIKFSA-N 1 2 208.265 0.330 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000092619086 490359387 /nfs/dbraw/zinc/35/93/87/490359387.db2.gz CLELMIOSNICGOE-OCAPTIKFSA-N 1 2 208.265 0.330 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000125327216 490428412 /nfs/dbraw/zinc/42/84/12/490428412.db2.gz ONXKREIBYLLPQF-AEJSXWLSSA-N 1 2 237.303 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000125327216 490428420 /nfs/dbraw/zinc/42/84/20/490428420.db2.gz ONXKREIBYLLPQF-AEJSXWLSSA-N 1 2 237.303 0.835 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079768541 490462034 /nfs/dbraw/zinc/46/20/34/490462034.db2.gz GRGNZNQSLKDZHS-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079768541 490462039 /nfs/dbraw/zinc/46/20/39/490462039.db2.gz GRGNZNQSLKDZHS-SECBINFHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)N2C)cc[nH+]1 ZINC000074689442 490497101 /nfs/dbraw/zinc/49/71/01/490497101.db2.gz OCQZOXRONUXLDZ-JTQLQIEISA-N 1 2 233.271 0.949 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H](COC)OC ZINC000668746855 490653512 /nfs/dbraw/zinc/65/35/12/490653512.db2.gz XTNSBYZDANYCFB-LLVKDONJSA-N 1 2 238.287 0.666 20 0 BCADLO Cc1nnc2ccc(NCc3c[nH+]cn3C)nn12 ZINC000520299066 491056669 /nfs/dbraw/zinc/05/66/69/491056669.db2.gz FGXFVENMDYKUHR-UHFFFAOYSA-N 1 2 243.274 0.200 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1nccc(N)n1 ZINC000537841812 491076579 /nfs/dbraw/zinc/07/65/79/491076579.db2.gz UDGPHPMBEMYFAK-UHFFFAOYSA-N 1 2 244.302 0.523 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1nccc(N)n1 ZINC000537841812 491076580 /nfs/dbraw/zinc/07/65/80/491076580.db2.gz UDGPHPMBEMYFAK-UHFFFAOYSA-N 1 2 244.302 0.523 20 0 BCADLO CCn1nnc(C)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000660142089 491087060 /nfs/dbraw/zinc/08/70/60/491087060.db2.gz NJQWJTFDNBVYLS-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO CC(=O)N[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668243788 491088236 /nfs/dbraw/zinc/08/82/36/491088236.db2.gz IWEZUBJSBNROLJ-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO CCc1noc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000087781301 491092111 /nfs/dbraw/zinc/09/21/11/491092111.db2.gz QNPVBAPMQSJZAC-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660810897 491107111 /nfs/dbraw/zinc/10/71/11/491107111.db2.gz GEFUUJPFOKKHIV-ZJUUUORDSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H]1[C@H](CO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660810897 491107112 /nfs/dbraw/zinc/10/71/12/491107112.db2.gz GEFUUJPFOKKHIV-ZJUUUORDSA-N 1 2 224.308 0.440 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000088619610 491107293 /nfs/dbraw/zinc/10/72/93/491107293.db2.gz ONZXZVQDIDRDDT-NSHDSACASA-N 1 2 238.335 0.892 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000088619610 491107296 /nfs/dbraw/zinc/10/72/96/491107296.db2.gz ONZXZVQDIDRDDT-NSHDSACASA-N 1 2 238.335 0.892 20 0 BCADLO Cc1nc(NCC(=O)N2CCCO2)cc[nH+]1 ZINC000624324028 491108611 /nfs/dbraw/zinc/10/86/11/491108611.db2.gz FFVAJIIVBDSFSQ-UHFFFAOYSA-N 1 2 222.248 0.361 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)[C@@H]1CO ZINC000191182539 491120566 /nfs/dbraw/zinc/12/05/66/491120566.db2.gz HSYQPLRZBADJQG-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)[C@@H]1CO ZINC000191182539 491120567 /nfs/dbraw/zinc/12/05/67/491120567.db2.gz HSYQPLRZBADJQG-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC(=O)N1 ZINC000070990925 491121556 /nfs/dbraw/zinc/12/15/56/491121556.db2.gz ZNWGYUZWKGPMSH-ZETCQYMHSA-N 1 2 246.274 0.054 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091589429 491131069 /nfs/dbraw/zinc/13/10/69/491131069.db2.gz HZWBSBQSSCNZQB-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091589429 491131070 /nfs/dbraw/zinc/13/10/70/491131070.db2.gz HZWBSBQSSCNZQB-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H](CCCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493211230 533880881 /nfs/dbraw/zinc/88/08/81/533880881.db2.gz YFOGNOYVOFTTAN-XRVBUDJMSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccoc1 ZINC000779199755 582659597 /nfs/dbraw/zinc/65/95/97/582659597.db2.gz KWLVUQOTGTXAQR-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccoc1 ZINC000779199755 582659600 /nfs/dbraw/zinc/65/96/00/582659600.db2.gz KWLVUQOTGTXAQR-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000334317797 535720264 /nfs/dbraw/zinc/72/02/64/535720264.db2.gz RAOACNFLVJCSJE-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000334317797 535720270 /nfs/dbraw/zinc/72/02/70/535720270.db2.gz RAOACNFLVJCSJE-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC(=O)NCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891486407 582692204 /nfs/dbraw/zinc/69/22/04/582692204.db2.gz IPDIIZDTKYVMFY-QMMMGPOBSA-N 1 2 223.276 0.683 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000336043752 535820239 /nfs/dbraw/zinc/82/02/39/535820239.db2.gz KZVNUABECNAUBV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000336043752 535820240 /nfs/dbraw/zinc/82/02/40/535820240.db2.gz KZVNUABECNAUBV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCNC(=O)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891736868 582715058 /nfs/dbraw/zinc/71/50/58/582715058.db2.gz RNBVXPPJCHJYKT-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1CO ZINC000492760413 534277546 /nfs/dbraw/zinc/27/75/46/534277546.db2.gz DICRKTJSXRDENN-LTFJCZIQSA-N 1 2 235.287 0.510 20 0 BCADLO CC(C)(C(=O)N1CC[C@](C)(O)C1)c1c[nH+]c[nH]1 ZINC000335733622 534316456 /nfs/dbraw/zinc/31/64/56/534316456.db2.gz GPIUMMDSPDCUEQ-LBPRGKRZSA-N 1 2 237.303 0.671 20 0 BCADLO Cc1noc(CCNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492907136 534401329 /nfs/dbraw/zinc/40/13/29/534401329.db2.gz CRTCEFNUDLFDBO-NSCUHMNNSA-N 1 2 247.258 0.473 20 0 BCADLO Cc1nc(N(C)Cc2ccon2)nc(N(C)C)[nH+]1 ZINC000488420873 534436549 /nfs/dbraw/zinc/43/65/49/534436549.db2.gz MUMJWQKSFKJOPP-UHFFFAOYSA-N 1 2 248.290 0.870 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)Cc2ccon2)[nH+]1 ZINC000488420873 534436557 /nfs/dbraw/zinc/43/65/57/534436557.db2.gz MUMJWQKSFKJOPP-UHFFFAOYSA-N 1 2 248.290 0.870 20 0 BCADLO Cc1noc([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492866126 534470104 /nfs/dbraw/zinc/47/01/04/534470104.db2.gz PTINVLOXCWWGLF-AVALRIAPSA-N 1 2 247.258 0.992 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496694531 534494524 /nfs/dbraw/zinc/49/45/24/534494524.db2.gz MWRYGHARMFJJGB-SNVBAGLBSA-N 1 2 237.259 0.619 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496694531 534494529 /nfs/dbraw/zinc/49/45/29/534494529.db2.gz MWRYGHARMFJJGB-SNVBAGLBSA-N 1 2 237.259 0.619 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(CCO)CC1 ZINC000493382244 534786581 /nfs/dbraw/zinc/78/65/81/534786581.db2.gz IEHBGUZXYYDVGR-OWOJBTEDSA-N 1 2 221.260 0.454 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@H](CF)C1 ZINC000493242818 534786929 /nfs/dbraw/zinc/78/69/29/534786929.db2.gz VVJYPHHUVBVSJU-GPYPMJJRSA-N 1 2 239.250 0.620 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(C)nc2)[C@H](C)C1 ZINC000351874383 534796965 /nfs/dbraw/zinc/79/69/65/534796965.db2.gz IVZGZIIXBOJROH-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)nc2)[C@H](C)C1 ZINC000351874383 534796974 /nfs/dbraw/zinc/79/69/74/534796974.db2.gz IVZGZIIXBOJROH-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO Cc1n[nH]cc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773319 534855563 /nfs/dbraw/zinc/85/55/63/534855563.db2.gz UZWUASAWRWCRMM-IHWYPQMZSA-N 1 2 231.259 0.771 20 0 BCADLO COC[C@@](C)(O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892488127 582897494 /nfs/dbraw/zinc/89/74/94/582897494.db2.gz DVWITQOXDSBMTN-CABZTGNLSA-N 1 2 240.303 0.944 20 0 BCADLO COC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000336003117 536471401 /nfs/dbraw/zinc/47/14/01/536471401.db2.gz TXIUISQCTNTVQJ-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO COC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000336003117 536471404 /nfs/dbraw/zinc/47/14/04/536471404.db2.gz TXIUISQCTNTVQJ-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO CC(=O)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493005230 527115139 /nfs/dbraw/zinc/11/51/39/527115139.db2.gz MCVDVPCMHTULQT-IHWYPQMZSA-N 1 2 223.232 0.102 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493112614 527832191 /nfs/dbraw/zinc/83/21/91/527832191.db2.gz FCRNILANQMBNNZ-NWALNABHSA-N 1 2 235.287 0.795 20 0 BCADLO CC(C)CC[C@H](O)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000496247721 527850253 /nfs/dbraw/zinc/85/02/53/527850253.db2.gz PNLLOGGBYGBSDN-JTQLQIEISA-N 1 2 242.319 0.578 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493191241 527888228 /nfs/dbraw/zinc/88/82/28/527888228.db2.gz PTIJBOYHWWLECQ-HUGTUPKYSA-N 1 2 235.287 0.699 20 0 BCADLO CC(C)OCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174746047 527909571 /nfs/dbraw/zinc/90/95/71/527909571.db2.gz UPXOXGSKTCMROE-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)OCCO1 ZINC000493456198 527933397 /nfs/dbraw/zinc/93/33/97/527933397.db2.gz RWOLJCQYEHIWFJ-NSCUHMNNSA-N 1 2 237.259 0.302 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000175237393 536523594 /nfs/dbraw/zinc/52/35/94/536523594.db2.gz KIWNOMTWKVSSIT-MRVPVSSYSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000175237393 536523605 /nfs/dbraw/zinc/52/36/05/536523605.db2.gz KIWNOMTWKVSSIT-MRVPVSSYSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)CSC ZINC000493575275 527938531 /nfs/dbraw/zinc/93/85/31/527938531.db2.gz UULSQNYRTOOBGC-QMMMGPOBSA-N 1 2 221.322 0.205 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)CSC ZINC000493575275 527938533 /nfs/dbraw/zinc/93/85/33/527938533.db2.gz UULSQNYRTOOBGC-QMMMGPOBSA-N 1 2 221.322 0.205 20 0 BCADLO CCCN(CC(N)=O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493814645 527939932 /nfs/dbraw/zinc/93/99/32/527939932.db2.gz DZWOPQBQFFSSCQ-ONEGZZNKSA-N 1 2 236.275 0.147 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351949717 536524512 /nfs/dbraw/zinc/52/45/12/536524512.db2.gz AAFMZOZLNDKKNV-DJLDLDEBSA-N 1 2 241.291 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351949717 536524521 /nfs/dbraw/zinc/52/45/21/536524521.db2.gz AAFMZOZLNDKKNV-DJLDLDEBSA-N 1 2 241.291 0.590 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000505474451 528056066 /nfs/dbraw/zinc/05/60/66/528056066.db2.gz PPJUMGFQXGVJLW-DTWKUNHWSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000505474451 528056069 /nfs/dbraw/zinc/05/60/69/528056069.db2.gz PPJUMGFQXGVJLW-DTWKUNHWSA-N 1 2 229.324 0.097 20 0 BCADLO CCNC(=O)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493207579 528217418 /nfs/dbraw/zinc/21/74/18/528217418.db2.gz YXAQKRIWPYBRNK-LGYSABEFSA-N 1 2 236.275 0.064 20 0 BCADLO CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000479415344 528222501 /nfs/dbraw/zinc/22/25/01/528222501.db2.gz SWQMOJNUHOWHLB-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000479415344 528222505 /nfs/dbraw/zinc/22/25/05/528222505.db2.gz SWQMOJNUHOWHLB-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCO/C=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000493834897 528478468 /nfs/dbraw/zinc/47/84/68/528478468.db2.gz HPBJOHAXWLRCEW-SOZJPDODSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000493834897 528478472 /nfs/dbraw/zinc/47/84/72/528478472.db2.gz HPBJOHAXWLRCEW-SOZJPDODSA-N 1 2 242.319 0.374 20 0 BCADLO CCN(CCO)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492895315 528519216 /nfs/dbraw/zinc/51/92/16/528519216.db2.gz PANMNTUHWABTGN-AATRIKPKSA-N 1 2 237.303 0.757 20 0 BCADLO CCN(CCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493487818 528520066 /nfs/dbraw/zinc/52/00/66/528520066.db2.gz GMLYSUSFUCEWQG-ONEGZZNKSA-N 1 2 209.249 0.264 20 0 BCADLO CCN(CCOC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492809871 528555273 /nfs/dbraw/zinc/55/52/73/528555273.db2.gz HAEBQLOCWNVAIP-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858211 528626654 /nfs/dbraw/zinc/62/66/54/528626654.db2.gz FKRSLLGTXOYXSP-XOULXFPDSA-N 1 2 223.276 0.556 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510100228 528790686 /nfs/dbraw/zinc/79/06/86/528790686.db2.gz AIFJRRHEACLURE-DTORHVGOSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510100228 528790689 /nfs/dbraw/zinc/79/06/89/528790689.db2.gz AIFJRRHEACLURE-DTORHVGOSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493373926 528955328 /nfs/dbraw/zinc/95/53/28/528955328.db2.gz VRDPTWJTDGCVEH-WBSSQXGSSA-N 1 2 223.276 0.964 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000487522158 529136514 /nfs/dbraw/zinc/13/65/14/529136514.db2.gz DOEOGLUPOWLGNZ-LLVKDONJSA-N 1 2 241.335 0.557 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000487522158 529136516 /nfs/dbraw/zinc/13/65/16/529136516.db2.gz DOEOGLUPOWLGNZ-LLVKDONJSA-N 1 2 241.335 0.557 20 0 BCADLO CCN1CC[N@H+](CCOC(C)C)[C@@H](C)C1=O ZINC000495239869 529146154 /nfs/dbraw/zinc/14/61/54/529146154.db2.gz LBROOCWWXBEULR-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CCN1CC[N@@H+](CCOC(C)C)[C@@H](C)C1=O ZINC000495239869 529146156 /nfs/dbraw/zinc/14/61/56/529146156.db2.gz LBROOCWWXBEULR-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CCN1CC[N@H+](CCOC(C)C)[C@H](C)C1=O ZINC000495239866 529146139 /nfs/dbraw/zinc/14/61/39/529146139.db2.gz LBROOCWWXBEULR-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CCN1CC[N@@H+](CCOC(C)C)[C@H](C)C1=O ZINC000495239866 529146140 /nfs/dbraw/zinc/14/61/40/529146140.db2.gz LBROOCWWXBEULR-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754653 529221907 /nfs/dbraw/zinc/22/19/07/529221907.db2.gz NNZIMIKANKUKSM-WOMWGJRJSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496976734 529308271 /nfs/dbraw/zinc/30/82/71/529308271.db2.gz ANNIQVSHAVIUGB-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496976734 529308273 /nfs/dbraw/zinc/30/82/73/529308273.db2.gz ANNIQVSHAVIUGB-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000492813531 529347552 /nfs/dbraw/zinc/34/75/52/529347552.db2.gz PRNNEIVGJYHUTH-QKXNICGJSA-N 1 2 235.287 0.652 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000336052800 534965288 /nfs/dbraw/zinc/96/52/88/534965288.db2.gz SGLANVXTDZAWSX-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000336052800 534965296 /nfs/dbraw/zinc/96/52/96/534965296.db2.gz SGLANVXTDZAWSX-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000174562449 535012096 /nfs/dbraw/zinc/01/20/96/535012096.db2.gz RREDAGQFACFDKR-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000174562449 535012101 /nfs/dbraw/zinc/01/21/01/535012101.db2.gz RREDAGQFACFDKR-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CNC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000050419579 535148225 /nfs/dbraw/zinc/14/82/25/535148225.db2.gz PMBHSMAVLHRMKG-VIFPVBQESA-N 1 2 239.323 0.238 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000336120868 535244453 /nfs/dbraw/zinc/24/44/53/535244453.db2.gz MYUKFEGZIWVWGJ-MNOVXSKESA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000336120868 535244455 /nfs/dbraw/zinc/24/44/55/535244455.db2.gz MYUKFEGZIWVWGJ-MNOVXSKESA-N 1 2 238.331 0.907 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)C[C@H](C)O ZINC000352230886 535394974 /nfs/dbraw/zinc/39/49/74/535394974.db2.gz MSYSMIHTDXODJK-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)C[C@H](C)O ZINC000352230886 535394975 /nfs/dbraw/zinc/39/49/75/535394975.db2.gz MSYSMIHTDXODJK-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO CCn1ncnc1C[N@H+](CC)C[C@@H](C)O ZINC000352223137 535395135 /nfs/dbraw/zinc/39/51/35/535395135.db2.gz UMJGBDZERHNTDI-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)C[C@@H](C)O ZINC000352223137 535395140 /nfs/dbraw/zinc/39/51/40/535395140.db2.gz UMJGBDZERHNTDI-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)C[C@H](C)O ZINC000352193156 535395499 /nfs/dbraw/zinc/39/54/99/535395499.db2.gz BMMBJTHFCVADBF-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)(C)C)C[C@H](C)O ZINC000352193156 535395503 /nfs/dbraw/zinc/39/55/03/535395503.db2.gz BMMBJTHFCVADBF-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C)C1 ZINC000249116973 535448937 /nfs/dbraw/zinc/44/89/37/535448937.db2.gz SNXHSQNMVASDCF-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C)C1 ZINC000249116973 535448943 /nfs/dbraw/zinc/44/89/43/535448943.db2.gz SNXHSQNMVASDCF-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298642725 535523681 /nfs/dbraw/zinc/52/36/81/535523681.db2.gz FMWCWTJNLCAMSU-NXEZZACHSA-N 1 2 237.303 0.804 20 0 BCADLO CCOCC[N@H+](C)[C@H](C)c1nncn1C ZINC000347019604 535572622 /nfs/dbraw/zinc/57/26/22/535572622.db2.gz SJNMCAUNNSGHBO-SECBINFHSA-N 1 2 212.297 0.844 20 0 BCADLO CCOCC[N@@H+](C)[C@H](C)c1nncn1C ZINC000347019604 535572623 /nfs/dbraw/zinc/57/26/23/535572623.db2.gz SJNMCAUNNSGHBO-SECBINFHSA-N 1 2 212.297 0.844 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172293653 535624882 /nfs/dbraw/zinc/62/48/82/535624882.db2.gz KCFYSGHVAFUIPV-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172293653 535624887 /nfs/dbraw/zinc/62/48/87/535624887.db2.gz KCFYSGHVAFUIPV-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC[C@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000168335897 535690391 /nfs/dbraw/zinc/69/03/91/535690391.db2.gz IMUUBIWMPMIUJA-IUCAKERBSA-N 1 2 203.282 0.953 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1[nH+]cc(C)n1C ZINC000342774833 535790972 /nfs/dbraw/zinc/79/09/72/535790972.db2.gz IFWDXSULCVONKU-UHFFFAOYSA-N 1 2 248.334 0.879 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000336043751 535820213 /nfs/dbraw/zinc/82/02/13/535820213.db2.gz KZVNUABECNAUBV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000336043751 535820214 /nfs/dbraw/zinc/82/02/14/535820214.db2.gz KZVNUABECNAUBV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H](C)[C@@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000351515474 535897677 /nfs/dbraw/zinc/89/76/77/535897677.db2.gz SUTQCBUBQSTGNJ-WDEREUQCSA-N 1 2 228.336 0.822 20 0 BCADLO CCc1cc(N2CCNC(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000180447815 536145711 /nfs/dbraw/zinc/14/57/11/536145711.db2.gz LDELCRJJXSDDLQ-QMMMGPOBSA-N 1 2 234.303 0.672 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349245936 536326870 /nfs/dbraw/zinc/32/68/70/536326870.db2.gz SDNQDOCGEWFFSX-BQBZGAKWSA-N 1 2 240.263 0.169 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCCCF ZINC000351873612 536334891 /nfs/dbraw/zinc/33/48/91/536334891.db2.gz HRVCFFZMMGYFSB-UHFFFAOYSA-N 1 2 201.249 0.392 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCCCF ZINC000351873612 536334894 /nfs/dbraw/zinc/33/48/94/536334894.db2.gz HRVCFFZMMGYFSB-UHFFFAOYSA-N 1 2 201.249 0.392 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)CCCO ZINC000281923731 536357517 /nfs/dbraw/zinc/35/75/17/536357517.db2.gz RZTYUBKXVREWSI-UHFFFAOYSA-N 1 2 210.277 0.522 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)CCCO ZINC000281923731 536357519 /nfs/dbraw/zinc/35/75/19/536357519.db2.gz RZTYUBKXVREWSI-UHFFFAOYSA-N 1 2 210.277 0.522 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000172878088 536588335 /nfs/dbraw/zinc/58/83/35/536588335.db2.gz JVWDWUVDOFCTNN-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000172878088 536588342 /nfs/dbraw/zinc/58/83/42/536588342.db2.gz JVWDWUVDOFCTNN-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO COC1(C)C[NH+](Cc2cnn(C)c2C)C1 ZINC000335609898 536588336 /nfs/dbraw/zinc/58/83/36/536588336.db2.gz LEXBKIMGTXZHPN-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000342564020 536741964 /nfs/dbraw/zinc/74/19/64/536741964.db2.gz FBSWKUTUOOVWON-SECBINFHSA-N 1 2 240.307 0.759 20 0 BCADLO COC[C@@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000342564020 536741970 /nfs/dbraw/zinc/74/19/70/536741970.db2.gz FBSWKUTUOOVWON-SECBINFHSA-N 1 2 240.307 0.759 20 0 BCADLO COC[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263280394 536770330 /nfs/dbraw/zinc/77/03/30/536770330.db2.gz UENHMYWFECJUAA-RKDXNWHRSA-N 1 2 248.273 0.479 20 0 BCADLO COCC[N@@H+](CCCSC)CC(=O)OC ZINC000173744556 536838314 /nfs/dbraw/zinc/83/83/14/536838314.db2.gz JBGCEEDFGONPLT-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO COCC[N@H+](CCCSC)CC(=O)OC ZINC000173744556 536838309 /nfs/dbraw/zinc/83/83/09/536838309.db2.gz JBGCEEDFGONPLT-UHFFFAOYSA-N 1 2 235.349 0.861 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CCCOCC1 ZINC000351915550 536839627 /nfs/dbraw/zinc/83/96/27/536839627.db2.gz ZFBRLGASIINOBQ-UHFFFAOYSA-N 1 2 240.259 0.684 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CCCOCC1 ZINC000351915550 536839633 /nfs/dbraw/zinc/83/96/33/536839633.db2.gz ZFBRLGASIINOBQ-UHFFFAOYSA-N 1 2 240.259 0.684 20 0 BCADLO CO[C@@H](C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000348842979 536848834 /nfs/dbraw/zinc/84/88/34/536848834.db2.gz XGXKGZDCMMWPLO-SNVBAGLBSA-N 1 2 225.292 0.670 20 0 BCADLO CC(C)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892641758 582936626 /nfs/dbraw/zinc/93/66/26/582936626.db2.gz FQKYBFQXHXKGJG-VIFPVBQESA-N 1 2 224.308 0.971 20 0 BCADLO CC(C)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892641758 582936629 /nfs/dbraw/zinc/93/66/29/582936629.db2.gz FQKYBFQXHXKGJG-VIFPVBQESA-N 1 2 224.308 0.971 20 0 BCADLO C[C@@H](O)CCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892684471 582954717 /nfs/dbraw/zinc/95/47/17/582954717.db2.gz SVQIMPSNLADDTB-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cncnc2)[C@@H](C(N)=O)C1 ZINC000249882486 566417750 /nfs/dbraw/zinc/41/77/50/566417750.db2.gz HTJFFGRFSSILLU-GXSJLCMTSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cncnc2)[C@@H](C(N)=O)C1 ZINC000249882486 566417755 /nfs/dbraw/zinc/41/77/55/566417755.db2.gz HTJFFGRFSSILLU-GXSJLCMTSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000892775452 582979845 /nfs/dbraw/zinc/97/98/45/582979845.db2.gz GJSMBJZAXHSLEA-PSASIEDQSA-N 1 2 224.260 0.888 20 0 BCADLO CNc1cc(N2CC(F)(F)C[C@H]2CO)nc[nH+]1 ZINC000893363010 583125415 /nfs/dbraw/zinc/12/54/15/583125415.db2.gz DTHRYEQQSAYSJY-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC(F)(F)C[C@H]2CO)[nH+]cn1 ZINC000893363010 583125419 /nfs/dbraw/zinc/12/54/19/583125419.db2.gz DTHRYEQQSAYSJY-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ocnc2C)CC1 ZINC000893870821 583235756 /nfs/dbraw/zinc/23/57/56/583235756.db2.gz HXIYCTLINKHFPP-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000893950145 583260146 /nfs/dbraw/zinc/26/01/46/583260146.db2.gz BJMLCDVOPOGEIM-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332786109 583301832 /nfs/dbraw/zinc/30/18/32/583301832.db2.gz JCQNDPZWHFVGGO-VWYCJHECSA-N 1 2 241.335 0.272 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@H](C)O1 ZINC000111273520 588738449 /nfs/dbraw/zinc/73/84/49/588738449.db2.gz VPDCCHBKVMLWRP-IVZWLZJFSA-N 1 2 213.277 0.801 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@H](C)O1 ZINC000111273520 588738450 /nfs/dbraw/zinc/73/84/50/588738450.db2.gz VPDCCHBKVMLWRP-IVZWLZJFSA-N 1 2 213.277 0.801 20 0 BCADLO Fc1cnc(NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000853455000 588744096 /nfs/dbraw/zinc/74/40/96/588744096.db2.gz OEFUWVZIUKNFIC-VIFPVBQESA-N 1 2 237.282 0.027 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)oc1=O ZINC000853495167 588746021 /nfs/dbraw/zinc/74/60/21/588746021.db2.gz OQAWMJZCILMINS-SECBINFHSA-N 1 2 211.265 0.977 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C)oc1=O ZINC000853495167 588746022 /nfs/dbraw/zinc/74/60/22/588746022.db2.gz OQAWMJZCILMINS-SECBINFHSA-N 1 2 211.265 0.977 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853511532 588746917 /nfs/dbraw/zinc/74/69/17/588746917.db2.gz QLPWIXLWOVEHQI-LLVKDONJSA-N 1 2 241.291 0.603 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853511532 588746918 /nfs/dbraw/zinc/74/69/18/588746918.db2.gz QLPWIXLWOVEHQI-LLVKDONJSA-N 1 2 241.291 0.603 20 0 BCADLO CO[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C[C@@H]1C ZINC000853517648 588747150 /nfs/dbraw/zinc/74/71/50/588747150.db2.gz ZVTWWNRGQCZNAM-WCBMZHEXSA-N 1 2 241.291 0.459 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C[C@@H]1C ZINC000853517648 588747151 /nfs/dbraw/zinc/74/71/51/588747151.db2.gz ZVTWWNRGQCZNAM-WCBMZHEXSA-N 1 2 241.291 0.459 20 0 BCADLO COC(=O)c1cn(C[N@@H+]2CC[C@H]3C[C@H]3C2)nn1 ZINC000853576419 588749236 /nfs/dbraw/zinc/74/92/36/588749236.db2.gz DPILFLCEVHHWOR-IUCAKERBSA-N 1 2 236.275 0.364 20 0 BCADLO COC(=O)c1cn(C[N@H+]2CC[C@H]3C[C@H]3C2)nn1 ZINC000853576419 588749237 /nfs/dbraw/zinc/74/92/37/588749237.db2.gz DPILFLCEVHHWOR-IUCAKERBSA-N 1 2 236.275 0.364 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@H]2CC2(C)C)c(=O)n1C ZINC000853627412 588750003 /nfs/dbraw/zinc/75/00/03/588750003.db2.gz BQIOODPFTFUWOP-SNVBAGLBSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@H]2CC2(C)C)c(=O)n1C ZINC000853627412 588750004 /nfs/dbraw/zinc/75/00/04/588750004.db2.gz BQIOODPFTFUWOP-SNVBAGLBSA-N 1 2 238.335 0.826 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@H]2CC2(C)C)c1=O ZINC000853628446 588751120 /nfs/dbraw/zinc/75/11/20/588751120.db2.gz VQTQPMFGICEIJE-SECBINFHSA-N 1 2 224.308 0.517 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=O ZINC000853628446 588751121 /nfs/dbraw/zinc/75/11/21/588751121.db2.gz VQTQPMFGICEIJE-SECBINFHSA-N 1 2 224.308 0.517 20 0 BCADLO Fc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000853637099 588751463 /nfs/dbraw/zinc/75/14/63/588751463.db2.gz OEHPNVWNZAPTLZ-UHFFFAOYSA-N 1 2 219.223 0.832 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCOC(F)F ZINC000853673521 588754508 /nfs/dbraw/zinc/75/45/08/588754508.db2.gz FYFUDDMYHDFJBK-RXMQYKEDSA-N 1 2 212.196 0.759 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1ncnn1CCF ZINC000853673756 588754690 /nfs/dbraw/zinc/75/46/90/588754690.db2.gz IAZSDOVSHSQPPK-ZETCQYMHSA-N 1 2 245.258 0.281 20 0 BCADLO CCn1ncnc1CO[NH+]=C(N)[C@H](C)OC ZINC000853674249 588754778 /nfs/dbraw/zinc/75/47/78/588754778.db2.gz VCCCFIDWECOOPK-ZETCQYMHSA-N 1 2 227.268 0.331 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCO[C@H]1CC1(F)F ZINC000853673934 588754803 /nfs/dbraw/zinc/75/48/03/588754803.db2.gz MVYLGJPTXYSCPO-BQBZGAKWSA-N 1 2 238.234 0.944 20 0 BCADLO CC1CC(=O)N(CCc2c[nH+]cn2C)C(=O)C1 ZINC000853683438 588755677 /nfs/dbraw/zinc/75/56/77/588755677.db2.gz SOTHJARCXHIALL-UHFFFAOYSA-N 1 2 235.287 0.748 20 0 BCADLO CC(C)(C)n1cc(CO[NH+]=C(N)CCO)nn1 ZINC000853686623 588756138 /nfs/dbraw/zinc/75/61/38/588756138.db2.gz CITPEFDINJSWSE-UHFFFAOYSA-N 1 2 241.295 0.414 20 0 BCADLO CNC(=O)NCCNc1cc[nH+]c(C(C)C)n1 ZINC000853693707 588756960 /nfs/dbraw/zinc/75/69/60/588756960.db2.gz SWAYEGAPEFEMCN-UHFFFAOYSA-N 1 2 237.307 0.941 20 0 BCADLO NC(=[NH+]OC[C@@H]1COCCO1)[C@H]1CCCO1 ZINC000853697408 588757503 /nfs/dbraw/zinc/75/75/03/588757503.db2.gz HEEOXKMVKLFCMG-DTWKUNHWSA-N 1 2 230.264 0.079 20 0 BCADLO COC(=O)C1(CO[NH+]=C(N)[C@@H]2CCCO2)CC1 ZINC000853699265 588757816 /nfs/dbraw/zinc/75/78/16/588757816.db2.gz ZHQGXJPFNVAAQK-QMMMGPOBSA-N 1 2 242.275 0.617 20 0 BCADLO C[C@@H](NC(=O)c1nccn1C)c1[nH+]ccn1C ZINC000853867495 588766699 /nfs/dbraw/zinc/76/66/99/588766699.db2.gz KZYMKAWBMPBPJP-MRVPVSSYSA-N 1 2 233.275 0.645 20 0 BCADLO Cc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000853867343 588766869 /nfs/dbraw/zinc/76/68/69/588766869.db2.gz JTRXOVQEUDFSAJ-ZCFIWIBFSA-N 1 2 235.247 0.603 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccco1 ZINC000854255315 588782201 /nfs/dbraw/zinc/78/22/01/588782201.db2.gz OIIOPDOAZALUJR-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NN1CCCC1 ZINC000854325330 588783743 /nfs/dbraw/zinc/78/37/43/588783743.db2.gz DWUVACKTTGXRLG-VIFPVBQESA-N 1 2 222.292 0.715 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NN1CCCC1 ZINC000854325330 588783744 /nfs/dbraw/zinc/78/37/44/588783744.db2.gz DWUVACKTTGXRLG-VIFPVBQESA-N 1 2 222.292 0.715 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NN1CCCC1 ZINC000854325329 588783789 /nfs/dbraw/zinc/78/37/89/588783789.db2.gz DWUVACKTTGXRLG-SECBINFHSA-N 1 2 222.292 0.715 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NN1CCCC1 ZINC000854325329 588783790 /nfs/dbraw/zinc/78/37/90/588783790.db2.gz DWUVACKTTGXRLG-SECBINFHSA-N 1 2 222.292 0.715 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOC(=O)C1CC1 ZINC000854336000 588784667 /nfs/dbraw/zinc/78/46/67/588784667.db2.gz OYTNJOWBKNMVEK-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO COCC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000854343747 588785010 /nfs/dbraw/zinc/78/50/10/588785010.db2.gz KEJGAZKRKXAHOM-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCC1(O)CCC1 ZINC000854395480 588785643 /nfs/dbraw/zinc/78/56/43/588785643.db2.gz KYVHHDGYJJPKGF-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000854419942 588786219 /nfs/dbraw/zinc/78/62/19/588786219.db2.gz ZMDAPZBODZJYPR-KOLCDFICSA-N 1 2 248.286 0.479 20 0 BCADLO COCCC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854495368 588789543 /nfs/dbraw/zinc/78/95/43/588789543.db2.gz XRVCXBSCNQXJNQ-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854528985 588790652 /nfs/dbraw/zinc/79/06/52/588790652.db2.gz WNJASECFUXGSDG-SFYZADRCSA-N 1 2 211.265 0.492 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1ccn(C)n1 ZINC000112343035 588794799 /nfs/dbraw/zinc/79/47/99/588794799.db2.gz GTJFIJRCJZLOSE-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854579549 588795274 /nfs/dbraw/zinc/79/52/74/588795274.db2.gz FJUWHLRFASJFDK-VIFPVBQESA-N 1 2 217.272 0.972 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854579549 588795275 /nfs/dbraw/zinc/79/52/75/588795275.db2.gz FJUWHLRFASJFDK-VIFPVBQESA-N 1 2 217.272 0.972 20 0 BCADLO COCCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854491649 588789669 /nfs/dbraw/zinc/78/96/69/588789669.db2.gz QCVQTPACZJQJQQ-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO CCOCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854657568 588799533 /nfs/dbraw/zinc/79/95/33/588799533.db2.gz WQYGDOQNWNUXEJ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](CO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854687459 588801467 /nfs/dbraw/zinc/80/14/67/588801467.db2.gz KSCFYSAVHCQCDS-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO Cc1ccoc1CC(=O)NOCC[NH+](C)C ZINC000854690964 588801688 /nfs/dbraw/zinc/80/16/88/588801688.db2.gz RUKIDHNIZQWJMF-UHFFFAOYSA-N 1 2 226.276 0.740 20 0 BCADLO CC1=NO[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000854802358 588810847 /nfs/dbraw/zinc/81/08/47/588810847.db2.gz IYHPGPNZFMLOHB-JTQLQIEISA-N 1 2 239.319 0.609 20 0 BCADLO CC[C@@](C)(CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854818443 588812151 /nfs/dbraw/zinc/81/21/51/588812151.db2.gz MCIFFHGXIVXPOI-NSHDSACASA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@H](O)CN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000854852007 588813470 /nfs/dbraw/zinc/81/34/70/588813470.db2.gz NNVMWEXCLAHDDO-SSDOTTSWSA-N 1 2 247.245 0.427 20 0 BCADLO C[C@H](CCO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000855031650 588821248 /nfs/dbraw/zinc/82/12/48/588821248.db2.gz NBXKAZMGBRBBKD-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2COC[C@@H]21 ZINC000854914877 588816675 /nfs/dbraw/zinc/81/66/75/588816675.db2.gz ADBBXIWHBRVVMX-ZJUUUORDSA-N 1 2 235.287 0.590 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CS1 ZINC000854934465 588816930 /nfs/dbraw/zinc/81/69/30/588816930.db2.gz SXJSIYLIQRBXHA-JGVFFNPUSA-N 1 2 225.317 0.962 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000854937677 588817293 /nfs/dbraw/zinc/81/72/93/588817293.db2.gz QEYRAWZLYBSOIP-BBBLOLIVSA-N 1 2 237.303 0.882 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](O)C(C)C ZINC000854938463 588817365 /nfs/dbraw/zinc/81/73/65/588817365.db2.gz MADLRQRMRGLPFE-BXKDBHETSA-N 1 2 239.319 0.864 20 0 BCADLO C[NH+](C)CCONC(=O)Cc1ncccc1F ZINC000854945425 588818003 /nfs/dbraw/zinc/81/80/03/588818003.db2.gz PTMQKHWBNORGSR-UHFFFAOYSA-N 1 2 241.266 0.373 20 0 BCADLO CCc1cc(NC(=O)Cc2[nH]cc[nH+]2)nn1C ZINC000854966614 588819298 /nfs/dbraw/zinc/81/92/98/588819298.db2.gz NLXPTUWXZPOEHU-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO CCC[C@H](C)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855014008 588820578 /nfs/dbraw/zinc/82/05/78/588820578.db2.gz GKBJYYKCKZXVCU-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=COCCO1 ZINC000855135896 588823059 /nfs/dbraw/zinc/82/30/59/588823059.db2.gz YAPVTJXZFCQQLZ-UHFFFAOYSA-N 1 2 223.232 0.256 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=COCCO1 ZINC000855135896 588823060 /nfs/dbraw/zinc/82/30/60/588823060.db2.gz YAPVTJXZFCQQLZ-UHFFFAOYSA-N 1 2 223.232 0.256 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)C2)C1 ZINC000113240323 588827648 /nfs/dbraw/zinc/82/76/48/588827648.db2.gz CKAQDWLELLMNGQ-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)C2)C1 ZINC000113240323 588827649 /nfs/dbraw/zinc/82/76/49/588827649.db2.gz CKAQDWLELLMNGQ-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1C[N@H+](CCNc2nccnc2F)CCO1 ZINC000858382978 582459627 /nfs/dbraw/zinc/45/96/27/582459627.db2.gz MOWDYSJBEWLAQM-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2nccnc2F)CCO1 ZINC000858382978 582459628 /nfs/dbraw/zinc/45/96/28/582459628.db2.gz MOWDYSJBEWLAQM-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCC[C@H]1C ZINC000890528780 582468281 /nfs/dbraw/zinc/46/82/81/582468281.db2.gz UPJMNGMXCKPDJG-SECBINFHSA-N 1 2 237.303 0.898 20 0 BCADLO C[C@@]1(C2CC2)COCCN1C(=O)Cn1cc[nH+]c1 ZINC000890582028 582483886 /nfs/dbraw/zinc/48/38/86/582483886.db2.gz DZPZPRCFFNHKNT-ZDUSSCGKSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2(F)CC2)[C@@H](C)CO1 ZINC000855408140 588831675 /nfs/dbraw/zinc/83/16/75/588831675.db2.gz QROFAOXGECXCJT-UWVGGRQHSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2(F)CC2)[C@@H](C)CO1 ZINC000855408140 588831676 /nfs/dbraw/zinc/83/16/76/588831676.db2.gz QROFAOXGECXCJT-UWVGGRQHSA-N 1 2 244.310 0.714 20 0 BCADLO CN(C)[C@@H](C(=O)N[C@H]1C=CCC1)c1c[nH+]cn1C ZINC000855432853 588835805 /nfs/dbraw/zinc/83/58/05/588835805.db2.gz MOZPUCSQQLUQTA-CMPLNLGQSA-N 1 2 248.330 0.858 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1COC[C@H]1C1CC1 ZINC000891039072 582599747 /nfs/dbraw/zinc/59/97/47/582599747.db2.gz GFTZQMBZXWINBZ-QWRGUYRKSA-N 1 2 235.287 0.424 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891052055 582603269 /nfs/dbraw/zinc/60/32/69/582603269.db2.gz YDFMWRNYLRKXPA-RYUDHWBXSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891052055 582603272 /nfs/dbraw/zinc/60/32/72/582603272.db2.gz YDFMWRNYLRKXPA-RYUDHWBXSA-N 1 2 249.314 0.884 20 0 BCADLO Cn1ncc(CNc2cc[nH+]c3ccncc23)n1 ZINC000804849057 582607960 /nfs/dbraw/zinc/60/79/60/582607960.db2.gz BJEKKMBUUNDJOU-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO CC(=O)N1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891404754 582679244 /nfs/dbraw/zinc/67/92/44/582679244.db2.gz NEMLUIIWDDJKTK-UHFFFAOYSA-N 1 2 245.286 0.398 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCCO)[nH+]cn1 ZINC000891410997 582680937 /nfs/dbraw/zinc/68/09/37/582680937.db2.gz XDGRWNFFVWCOHV-SECBINFHSA-N 1 2 240.307 0.454 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCCO)nc[nH+]1 ZINC000891410997 582680939 /nfs/dbraw/zinc/68/09/39/582680939.db2.gz XDGRWNFFVWCOHV-SECBINFHSA-N 1 2 240.307 0.454 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCc2ccccn2)c1 ZINC000891428001 582682503 /nfs/dbraw/zinc/68/25/03/582682503.db2.gz YTVFBRHDQXNIEC-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO Nc1nc(N2CCC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000891430910 582683644 /nfs/dbraw/zinc/68/36/44/582683644.db2.gz LPMUJQNDRFXYFA-MRVPVSSYSA-N 1 2 235.291 0.292 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCC[C@@H](O)C2)n1 ZINC000891430910 582683645 /nfs/dbraw/zinc/68/36/45/582683645.db2.gz LPMUJQNDRFXYFA-MRVPVSSYSA-N 1 2 235.291 0.292 20 0 BCADLO CN(C)C(=O)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000891511708 582694688 /nfs/dbraw/zinc/69/46/88/582694688.db2.gz YQCYXKWRPHYDIC-UHFFFAOYSA-N 1 2 237.307 0.067 20 0 BCADLO CN(C)C(=O)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000891511708 582694689 /nfs/dbraw/zinc/69/46/89/582694689.db2.gz YQCYXKWRPHYDIC-UHFFFAOYSA-N 1 2 237.307 0.067 20 0 BCADLO CCNC(=O)CNc1cc(N(C)C)nc[nH+]1 ZINC000891558190 582697541 /nfs/dbraw/zinc/69/75/41/582697541.db2.gz ADXVWJUUBQHIKI-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CCNC(=O)CNc1cc(N(C)C)[nH+]cn1 ZINC000891558190 582697543 /nfs/dbraw/zinc/69/75/43/582697543.db2.gz ADXVWJUUBQHIKI-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CN(C)c1cc(N(C)CC(=O)NC2CC2)nc[nH+]1 ZINC000891575446 582698177 /nfs/dbraw/zinc/69/81/77/582698177.db2.gz ZJLMBLQYAZSKCZ-UHFFFAOYSA-N 1 2 249.318 0.257 20 0 BCADLO CN(C)c1cc(N(C)CC(=O)NC2CC2)[nH+]cn1 ZINC000891575446 582698180 /nfs/dbraw/zinc/69/81/80/582698180.db2.gz ZJLMBLQYAZSKCZ-UHFFFAOYSA-N 1 2 249.318 0.257 20 0 BCADLO CC[C@H](CO)Nc1cc(N[C@H](C)CO)[nH+]cn1 ZINC000891684720 582710127 /nfs/dbraw/zinc/71/01/27/582710127.db2.gz OCPBTVZPZFQDOO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](CO)Nc1cc(N[C@H](C)CO)nc[nH+]1 ZINC000891684720 582710129 /nfs/dbraw/zinc/71/01/29/582710129.db2.gz OCPBTVZPZFQDOO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H]1COCCN1c1nccn2c[nH+]cc12 ZINC000891755072 582717011 /nfs/dbraw/zinc/71/70/11/582717011.db2.gz TWNCARBPKQNNTB-VIFPVBQESA-N 1 2 218.260 0.954 20 0 BCADLO CC1(C)C(=O)NCCN1Cc1[nH+]ccn1C1CC1 ZINC000891930527 582739928 /nfs/dbraw/zinc/73/99/28/582739928.db2.gz DJASGWTYCIRZEU-UHFFFAOYSA-N 1 2 248.330 0.928 20 0 BCADLO C[C@H](O)c1cccc(NCCS(C)(=O)=O)[nH+]1 ZINC000891941116 582741689 /nfs/dbraw/zinc/74/16/89/582741689.db2.gz ZCWADYBEESCSNG-QMMMGPOBSA-N 1 2 244.316 0.591 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779841053 582748220 /nfs/dbraw/zinc/74/82/20/582748220.db2.gz HWRQETHQSSFQNV-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCCCNC2=O)[nH+]cn1 ZINC000891961096 582748320 /nfs/dbraw/zinc/74/83/20/582748320.db2.gz WHQYXRRZJJOTCH-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCCCNC2=O)nc[nH+]1 ZINC000891961096 582748321 /nfs/dbraw/zinc/74/83/21/582748321.db2.gz WHQYXRRZJJOTCH-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CN(Cc1[nH+]ccn1C1CC1)[C@H]1CCNC1=O ZINC000892243229 582812461 /nfs/dbraw/zinc/81/24/61/582812461.db2.gz XOPCZRHUNVRMDO-JTQLQIEISA-N 1 2 234.303 0.538 20 0 BCADLO Cc1cc(NCc2cn[nH]n2)nc(C)[nH+]1 ZINC000393605405 582817346 /nfs/dbraw/zinc/81/73/46/582817346.db2.gz KGVWJMWBMDKNIT-UHFFFAOYSA-N 1 2 204.237 0.246 20 0 BCADLO Cc1cc(NCc2c[nH]nn2)nc(C)[nH+]1 ZINC000393605405 582817348 /nfs/dbraw/zinc/81/73/48/582817348.db2.gz KGVWJMWBMDKNIT-UHFFFAOYSA-N 1 2 204.237 0.246 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000855923626 588854176 /nfs/dbraw/zinc/85/41/76/588854176.db2.gz RJEAQCPVULMEKU-BDAKNGLRSA-N 1 2 235.287 0.372 20 0 BCADLO CNC(=O)CCN(C)c1nccn2c[nH+]cc12 ZINC000892300421 582831445 /nfs/dbraw/zinc/83/14/45/582831445.db2.gz OEYUJYXJVUHSAS-UHFFFAOYSA-N 1 2 233.275 0.302 20 0 BCADLO CCc1cc(N2CC[C@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000892341122 582861299 /nfs/dbraw/zinc/86/12/99/582861299.db2.gz RMRCJXIOZXIESK-VIFPVBQESA-N 1 2 248.330 0.913 20 0 BCADLO CN(C)c1cc(N(C)CC(C)(C)O)nc[nH+]1 ZINC000892540078 582908516 /nfs/dbraw/zinc/90/85/16/582908516.db2.gz BERKWNWKZQXEMX-UHFFFAOYSA-N 1 2 224.308 0.750 20 0 BCADLO CN(C)c1cc(N(C)CC(C)(C)O)[nH+]cn1 ZINC000892540078 582908519 /nfs/dbraw/zinc/90/85/19/582908519.db2.gz BERKWNWKZQXEMX-UHFFFAOYSA-N 1 2 224.308 0.750 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000892614118 582929905 /nfs/dbraw/zinc/92/99/05/582929905.db2.gz FIZUCKZTUZOYMS-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2CCN(C)C2=O)[nH+]cn1 ZINC000892614118 582929907 /nfs/dbraw/zinc/92/99/07/582929907.db2.gz FIZUCKZTUZOYMS-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO CN1CCN(c2nccn3c[nH+]cc23)CC1=O ZINC000892641263 582935725 /nfs/dbraw/zinc/93/57/25/582935725.db2.gz XUSDKKHBDGOFLJ-UHFFFAOYSA-N 1 2 231.259 0.008 20 0 BCADLO C[C@@H](O)CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892684471 582954716 /nfs/dbraw/zinc/95/47/16/582954716.db2.gz SVQIMPSNLADDTB-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000226213090 582967083 /nfs/dbraw/zinc/96/70/83/582967083.db2.gz IOENAVWRSZDWGA-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000226213090 582967085 /nfs/dbraw/zinc/96/70/85/582967085.db2.gz IOENAVWRSZDWGA-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccn1 ZINC000851873533 582973883 /nfs/dbraw/zinc/97/38/83/582973883.db2.gz CGPWQPWGVWEWQD-NSHDSACASA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccn1 ZINC000851873533 582973885 /nfs/dbraw/zinc/97/38/85/582973885.db2.gz CGPWQPWGVWEWQD-NSHDSACASA-N 1 2 232.287 0.970 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)c1ccccn1 ZINC000851873533 582973887 /nfs/dbraw/zinc/97/38/87/582973887.db2.gz CGPWQPWGVWEWQD-NSHDSACASA-N 1 2 232.287 0.970 20 0 BCADLO COC/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281364 588866996 /nfs/dbraw/zinc/86/69/96/588866996.db2.gz NRPMGTYLXVCANY-MOVJSRMASA-N 1 2 223.276 0.800 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000892775607 582979898 /nfs/dbraw/zinc/97/98/98/582979898.db2.gz GJSMBJZAXHSLEA-WCBMZHEXSA-N 1 2 224.260 0.888 20 0 BCADLO CNc1cc(N2CCC[C@@H](CC(N)=O)C2)nc[nH+]1 ZINC000892774577 582980299 /nfs/dbraw/zinc/98/02/99/582980299.db2.gz NGDRSCCMGJGTAD-VIFPVBQESA-N 1 2 249.318 0.610 20 0 BCADLO CNc1cc(N2CCC[C@@H](CC(N)=O)C2)[nH+]cn1 ZINC000892774577 582980302 /nfs/dbraw/zinc/98/03/02/582980302.db2.gz NGDRSCCMGJGTAD-VIFPVBQESA-N 1 2 249.318 0.610 20 0 BCADLO CN(C)c1cc(N2CC[C@](C)(O)C2)nc[nH+]1 ZINC000892807018 582986871 /nfs/dbraw/zinc/98/68/71/582986871.db2.gz PBSSOUKABUYDEG-NSHDSACASA-N 1 2 222.292 0.504 20 0 BCADLO CN(C)c1cc(N2CC[C@](C)(O)C2)[nH+]cn1 ZINC000892807018 582986874 /nfs/dbraw/zinc/98/68/74/582986874.db2.gz PBSSOUKABUYDEG-NSHDSACASA-N 1 2 222.292 0.504 20 0 BCADLO CNc1cc(N2CCN(C3CC3)C(=O)C2)nc[nH+]1 ZINC000892807012 582987005 /nfs/dbraw/zinc/98/70/05/582987005.db2.gz OREXGVQFUNNZBF-UHFFFAOYSA-N 1 2 247.302 0.329 20 0 BCADLO CNc1cc(N2CCN(C3CC3)C(=O)C2)[nH+]cn1 ZINC000892807012 582987006 /nfs/dbraw/zinc/98/70/06/582987006.db2.gz OREXGVQFUNNZBF-UHFFFAOYSA-N 1 2 247.302 0.329 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@H]1C ZINC000851975354 582987863 /nfs/dbraw/zinc/98/78/63/582987863.db2.gz QGCWVOWAWHAIRS-WPRPVWTQSA-N 1 2 238.291 0.231 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H]1C ZINC000851975354 582987864 /nfs/dbraw/zinc/98/78/64/582987864.db2.gz QGCWVOWAWHAIRS-WPRPVWTQSA-N 1 2 238.291 0.231 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892850309 582996226 /nfs/dbraw/zinc/99/62/26/582996226.db2.gz GMXSCWIOJYEEET-SECBINFHSA-N 1 2 249.318 0.538 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892850309 582996227 /nfs/dbraw/zinc/99/62/27/582996227.db2.gz GMXSCWIOJYEEET-SECBINFHSA-N 1 2 249.318 0.538 20 0 BCADLO CNc1cc(N[C@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000892995431 583027085 /nfs/dbraw/zinc/02/70/85/583027085.db2.gz RQCBPHSUXIYGSH-SECBINFHSA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(N[C@H](CO)c2cnn(C)c2)[nH+]cn1 ZINC000892995431 583027089 /nfs/dbraw/zinc/02/70/89/583027089.db2.gz RQCBPHSUXIYGSH-SECBINFHSA-N 1 2 248.290 0.397 20 0 BCADLO C[C@@H](O)c1cccc(N(C)[C@H]2CCNC2=O)[nH+]1 ZINC000893018834 583030100 /nfs/dbraw/zinc/03/01/00/583030100.db2.gz MUICOYMJMPJAHU-SCZZXKLOSA-N 1 2 235.287 0.460 20 0 BCADLO C[C@@]1(O)CCCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000893060375 583039200 /nfs/dbraw/zinc/03/92/00/583039200.db2.gz KIIVIUUQEIAGRF-GFCCVEGCSA-N 1 2 249.318 0.682 20 0 BCADLO C[C@@]1(O)CCCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000893060375 583039201 /nfs/dbraw/zinc/03/92/01/583039201.db2.gz KIIVIUUQEIAGRF-GFCCVEGCSA-N 1 2 249.318 0.682 20 0 BCADLO CCn1nccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000856480666 588873702 /nfs/dbraw/zinc/87/37/02/588873702.db2.gz KSENKEPSPHBROQ-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCc1cc(N2CC(C(=O)NC)C2)nc(CC)[nH+]1 ZINC000893213836 583072542 /nfs/dbraw/zinc/07/25/42/583072542.db2.gz IVNUMMYYBNKDKJ-UHFFFAOYSA-N 1 2 248.330 0.784 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000856777598 588877463 /nfs/dbraw/zinc/87/74/63/588877463.db2.gz DDAMOPBNRDWQLU-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893380910 583132745 /nfs/dbraw/zinc/13/27/45/583132745.db2.gz ZFLFUWVHHYWMKI-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893380910 583132746 /nfs/dbraw/zinc/13/27/46/583132746.db2.gz ZFLFUWVHHYWMKI-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)C[C@@]2(CCOC2)O1 ZINC000857234721 583136099 /nfs/dbraw/zinc/13/60/99/583136099.db2.gz LXJUWTLHISPISB-ZYHUDNBSSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)C[C@@]2(CCOC2)O1 ZINC000857234721 583136100 /nfs/dbraw/zinc/13/61/00/583136100.db2.gz LXJUWTLHISPISB-ZYHUDNBSSA-N 1 2 240.303 0.056 20 0 BCADLO CC(C)(C(=O)NN1CCOCC1)c1c[nH]c[nH+]1 ZINC000856810922 588878929 /nfs/dbraw/zinc/87/89/29/588878929.db2.gz BPKUTTFGUIDGRB-UHFFFAOYSA-N 1 2 238.291 0.051 20 0 BCADLO CO[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1OC ZINC000893470735 583149227 /nfs/dbraw/zinc/14/92/27/583149227.db2.gz LGXVOWXHJQYWHM-PHIMTYICSA-N 1 2 248.286 0.579 20 0 BCADLO CN1CN(Cc2[nH+]ccn2C2CC2)CC1=O ZINC000893484531 583152214 /nfs/dbraw/zinc/15/22/14/583152214.db2.gz ZNPJCYCAWOAEJR-UHFFFAOYSA-N 1 2 220.276 0.450 20 0 BCADLO Cc1cc(F)ncc1C[NH2+]Cc1cn(C)nn1 ZINC000893505993 583154890 /nfs/dbraw/zinc/15/48/90/583154890.db2.gz REESVFSMIYEAPB-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cn(C)nn1 ZINC000893526606 583157916 /nfs/dbraw/zinc/15/79/16/583157916.db2.gz BOBGWYRJESQPFD-VIFPVBQESA-N 1 2 247.258 0.622 20 0 BCADLO CN(C)c1cc(N2C[C@H](O)C(C)(C)C2)nc[nH+]1 ZINC000893579723 583166757 /nfs/dbraw/zinc/16/67/57/583166757.db2.gz KJONMAYDHVZAFB-VIFPVBQESA-N 1 2 236.319 0.750 20 0 BCADLO CN(C)c1cc(N2C[C@H](O)C(C)(C)C2)[nH+]cn1 ZINC000893579723 583166759 /nfs/dbraw/zinc/16/67/59/583166759.db2.gz KJONMAYDHVZAFB-VIFPVBQESA-N 1 2 236.319 0.750 20 0 BCADLO CC[N@H+](CCO)Cc1cn(C)nc1Cl ZINC000857011393 588881925 /nfs/dbraw/zinc/88/19/25/588881925.db2.gz DFLHVIVCYJDFTC-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1cn(C)nc1Cl ZINC000857011393 588881926 /nfs/dbraw/zinc/88/19/26/588881926.db2.gz DFLHVIVCYJDFTC-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCCNC(=O)C1 ZINC000857013437 588882123 /nfs/dbraw/zinc/88/21/23/588882123.db2.gz QSTWLBQZFQQQAC-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nccnc1C[N@H+]1CCCNC(=O)C1 ZINC000857013437 588882124 /nfs/dbraw/zinc/88/21/24/588882124.db2.gz QSTWLBQZFQQQAC-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO C[C@@H](CO)N(C)c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000893727896 583215702 /nfs/dbraw/zinc/21/57/02/583215702.db2.gz WKACVJADFIJRJL-ZETCQYMHSA-N 1 2 239.323 0.568 20 0 BCADLO Cc1n[nH]c(C[N@H+](C)CC(=O)NC2CC2)c1C ZINC000893911272 583246340 /nfs/dbraw/zinc/24/63/40/583246340.db2.gz NLRAPRRCKFFBGH-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1n[nH]c(C[N@@H+](C)CC(=O)NC2CC2)c1C ZINC000893911272 583246341 /nfs/dbraw/zinc/24/63/41/583246341.db2.gz NLRAPRRCKFFBGH-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]2CO)c1C ZINC000893921090 583248001 /nfs/dbraw/zinc/24/80/01/583248001.db2.gz HIDFBGCNBVWPDH-SNVBAGLBSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]2CO)c1C ZINC000893921090 583248003 /nfs/dbraw/zinc/24/80/03/583248003.db2.gz HIDFBGCNBVWPDH-SNVBAGLBSA-N 1 2 209.293 0.983 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000893939564 583254541 /nfs/dbraw/zinc/25/45/41/583254541.db2.gz ZPJFHYUXYFJMQB-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000893939564 583254542 /nfs/dbraw/zinc/25/45/42/583254542.db2.gz ZPJFHYUXYFJMQB-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ocnc1C ZINC000893940927 583254978 /nfs/dbraw/zinc/25/49/78/583254978.db2.gz SYZYHGYOKTYOEQ-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ocnc1C ZINC000893940927 583254981 /nfs/dbraw/zinc/25/49/81/583254981.db2.gz SYZYHGYOKTYOEQ-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCOC[C@H]2C)C1(F)F ZINC000893963018 583257151 /nfs/dbraw/zinc/25/71/51/583257151.db2.gz XCJKTTFLQUVAEW-HLTSFMKQSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCOC[C@H]2C)C1(F)F ZINC000893963018 583257152 /nfs/dbraw/zinc/25/71/52/583257152.db2.gz XCJKTTFLQUVAEW-HLTSFMKQSA-N 1 2 249.257 0.761 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1[nH]nc(C)c1C ZINC000893967228 583263896 /nfs/dbraw/zinc/26/38/96/583263896.db2.gz XVYXOPMEKOIZFG-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1[nH]nc(C)c1C ZINC000893967228 583263898 /nfs/dbraw/zinc/26/38/98/583263898.db2.gz XVYXOPMEKOIZFG-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCS(=O)CC1 ZINC000894003600 583271870 /nfs/dbraw/zinc/27/18/70/583271870.db2.gz DCLOWYLTVPPQKA-UHFFFAOYSA-N 1 2 239.344 0.537 20 0 BCADLO Cc1ncoc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000894093777 583299376 /nfs/dbraw/zinc/29/93/76/583299376.db2.gz GXLVKRCHILAQPX-QMMMGPOBSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncoc1C[N@H+](C)[C@H]1CCNC1=O ZINC000894093777 583299381 /nfs/dbraw/zinc/29/93/81/583299381.db2.gz GXLVKRCHILAQPX-QMMMGPOBSA-N 1 2 209.249 0.303 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332786109 583301830 /nfs/dbraw/zinc/30/18/30/583301830.db2.gz JCQNDPZWHFVGGO-VWYCJHECSA-N 1 2 241.335 0.272 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332854483 583302514 /nfs/dbraw/zinc/30/25/14/583302514.db2.gz WQWIMKKDNYOEGM-FBIMIBRVSA-N 1 2 235.287 0.759 20 0 BCADLO COC(=O)NCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000894113418 583308725 /nfs/dbraw/zinc/30/87/25/583308725.db2.gz OGQJKNULNZFWPQ-MRVPVSSYSA-N 1 2 239.275 0.903 20 0 BCADLO COC(=O)NCCNc1cc(N(C)C)nc[nH+]1 ZINC000894113806 583309115 /nfs/dbraw/zinc/30/91/15/583309115.db2.gz REXVAWXDGMAGLG-UHFFFAOYSA-N 1 2 239.279 0.311 20 0 BCADLO COC(=O)NCCNc1cc(N(C)C)[nH+]cn1 ZINC000894113806 583309118 /nfs/dbraw/zinc/30/91/18/583309118.db2.gz REXVAWXDGMAGLG-UHFFFAOYSA-N 1 2 239.279 0.311 20 0 BCADLO CN(C)c1cc(NC[C@@]2(C)CCC(=O)N2)[nH+]cn1 ZINC000894140030 583316111 /nfs/dbraw/zinc/31/61/11/583316111.db2.gz PBPXQHMKLWZEGL-GFCCVEGCSA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(NC[C@@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000894140030 583316114 /nfs/dbraw/zinc/31/61/14/583316114.db2.gz PBPXQHMKLWZEGL-GFCCVEGCSA-N 1 2 249.318 0.623 20 0 BCADLO C[C@@H](O)c1cccc(N[C@H](CO)[C@@H](C)O)[nH+]1 ZINC000894169876 583325797 /nfs/dbraw/zinc/32/57/97/583325797.db2.gz SQMYHKVUPOLMDQ-NQMVMOMDSA-N 1 2 226.276 0.289 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726260366 583343414 /nfs/dbraw/zinc/34/34/14/583343414.db2.gz MLCGGFKVBCKKBM-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726260366 583343416 /nfs/dbraw/zinc/34/34/16/583343416.db2.gz MLCGGFKVBCKKBM-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO C[N@H+](CCOC(C)(C)C)CN1CCC1=O ZINC000857235448 588900458 /nfs/dbraw/zinc/90/04/58/588900458.db2.gz SUBRZBMFZKVJLM-UHFFFAOYSA-N 1 2 214.309 0.923 20 0 BCADLO C[N@@H+](CCOC(C)(C)C)CN1CCC1=O ZINC000857235448 588900459 /nfs/dbraw/zinc/90/04/59/588900459.db2.gz SUBRZBMFZKVJLM-UHFFFAOYSA-N 1 2 214.309 0.923 20 0 BCADLO COC[C@@](C)([NH2+]C[C@H]1C[C@@H](OC)C1)C(=O)OC ZINC000878332840 583370866 /nfs/dbraw/zinc/37/08/66/583370866.db2.gz KIAMCNJGTDJEBF-JFGNBEQYSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000726790516 583374204 /nfs/dbraw/zinc/37/42/04/583374204.db2.gz WLBXFTGJLBGNQV-UHFFFAOYSA-N 1 2 236.319 0.359 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000726790516 583374206 /nfs/dbraw/zinc/37/42/06/583374206.db2.gz WLBXFTGJLBGNQV-UHFFFAOYSA-N 1 2 236.319 0.359 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790961 583374801 /nfs/dbraw/zinc/37/48/01/583374801.db2.gz JINSMDVNPCYTGK-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790961 583374804 /nfs/dbraw/zinc/37/48/04/583374804.db2.gz JINSMDVNPCYTGK-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@H+](CCOCCO)Cc1nccn1C1CC1 ZINC000894263097 583400263 /nfs/dbraw/zinc/40/02/63/583400263.db2.gz CALPZIBQHKDOAH-UHFFFAOYSA-N 1 2 239.319 0.659 20 0 BCADLO C[N@@H+](CCOCCO)Cc1nccn1C1CC1 ZINC000894263097 583400265 /nfs/dbraw/zinc/40/02/65/583400265.db2.gz CALPZIBQHKDOAH-UHFFFAOYSA-N 1 2 239.319 0.659 20 0 BCADLO CC1(C(N)=O)CN(c2nccn3c[nH+]cc23)C1 ZINC000894342137 583428685 /nfs/dbraw/zinc/42/86/85/583428685.db2.gz JZNFZARGNPAGMD-UHFFFAOYSA-N 1 2 231.259 0.041 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CN1CCC1=O ZINC000857233123 588898283 /nfs/dbraw/zinc/89/82/83/588898283.db2.gz WZPKUXACGIOQOA-MRVPVSSYSA-N 1 2 200.307 0.614 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CN1CCC1=O ZINC000857233123 588898284 /nfs/dbraw/zinc/89/82/84/588898284.db2.gz WZPKUXACGIOQOA-MRVPVSSYSA-N 1 2 200.307 0.614 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cncs2)C1 ZINC000307016818 583432301 /nfs/dbraw/zinc/43/23/01/583432301.db2.gz RXGOBFNCUHGUMD-MRVPVSSYSA-N 1 2 214.290 0.336 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cncs2)C1 ZINC000307016818 583432303 /nfs/dbraw/zinc/43/23/03/583432303.db2.gz RXGOBFNCUHGUMD-MRVPVSSYSA-N 1 2 214.290 0.336 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)[C@@H](C)[C@@H](C)O1 ZINC000857235135 588898703 /nfs/dbraw/zinc/89/87/03/588898703.db2.gz OULAEYRNCBAJFJ-KXUCPTDWSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)[C@@H](C)[C@@H](C)O1 ZINC000857235135 588898704 /nfs/dbraw/zinc/89/87/04/588898704.db2.gz OULAEYRNCBAJFJ-KXUCPTDWSA-N 1 2 212.293 0.674 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000879743707 583445681 /nfs/dbraw/zinc/44/56/81/583445681.db2.gz CIFQTOBNIPNTQE-CHWFTXMASA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000879743707 583445684 /nfs/dbraw/zinc/44/56/84/583445684.db2.gz CIFQTOBNIPNTQE-CHWFTXMASA-N 1 2 243.303 0.162 20 0 BCADLO CN(C)c1cc(NCCN2CCCC2=O)[nH+]cn1 ZINC000894391545 583446173 /nfs/dbraw/zinc/44/61/73/583446173.db2.gz SEFCARJTCREFHR-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CN(C)c1cc(NCCN2CCCC2=O)nc[nH+]1 ZINC000894391545 583446177 /nfs/dbraw/zinc/44/61/77/583446177.db2.gz SEFCARJTCREFHR-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CCONC(=O)CNc1nccn2c[nH+]cc12 ZINC000894397663 583448391 /nfs/dbraw/zinc/44/83/91/583448391.db2.gz HPBSTQYNTIBCBI-UHFFFAOYSA-N 1 2 235.247 0.209 20 0 BCADLO C[C@H](CCO)N(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894410368 583450979 /nfs/dbraw/zinc/45/09/79/583450979.db2.gz YLEGDSOHLZHIKR-SSDOTTSWSA-N 1 2 237.307 0.538 20 0 BCADLO C[C@H](CCO)N(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894410368 583450981 /nfs/dbraw/zinc/45/09/81/583450981.db2.gz YLEGDSOHLZHIKR-SSDOTTSWSA-N 1 2 237.307 0.538 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nccn1C1CC1 ZINC000894432879 583459049 /nfs/dbraw/zinc/45/90/49/583459049.db2.gz VRKCNWSKSKINDJ-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nccn1C1CC1 ZINC000894432879 583459051 /nfs/dbraw/zinc/45/90/51/583459051.db2.gz VRKCNWSKSKINDJ-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO CC(C)[C@@H](CO)ONC(=O)CCc1[nH]cc[nH+]1 ZINC000857285643 588904040 /nfs/dbraw/zinc/90/40/40/588904040.db2.gz HXZHKRARSZKAKJ-SECBINFHSA-N 1 2 241.291 0.407 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)cnc1F ZINC000894438077 583460265 /nfs/dbraw/zinc/46/02/65/583460265.db2.gz AFALZNPBKPJNIW-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO Cc1coc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000894453698 583461543 /nfs/dbraw/zinc/46/15/43/583461543.db2.gz WOZRVTHALIEMGO-UHFFFAOYSA-N 1 2 235.243 0.965 20 0 BCADLO C[C@@H]1CC(=O)NCCN1Cc1[nH+]ccn1C1CC1 ZINC000894493119 583473746 /nfs/dbraw/zinc/47/37/46/583473746.db2.gz SVAWBUXSPGUZMU-SNVBAGLBSA-N 1 2 248.330 0.928 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1nccn1C1CC1 ZINC000894493119 583473747 /nfs/dbraw/zinc/47/37/47/583473747.db2.gz SVAWBUXSPGUZMU-SNVBAGLBSA-N 1 2 248.330 0.928 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1nccn1C1CC1 ZINC000894493119 583473748 /nfs/dbraw/zinc/47/37/48/583473748.db2.gz SVAWBUXSPGUZMU-SNVBAGLBSA-N 1 2 248.330 0.928 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000894564159 583484370 /nfs/dbraw/zinc/48/43/70/583484370.db2.gz PHQLSLAABHOAME-BXKDBHETSA-N 1 2 234.303 0.991 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@@]3(C)C2)[nH+]cn1 ZINC000894564159 583484373 /nfs/dbraw/zinc/48/43/73/583484373.db2.gz PHQLSLAABHOAME-BXKDBHETSA-N 1 2 234.303 0.991 20 0 BCADLO CN(C)c1cc(N(C)Cc2cn(C)nn2)nc[nH+]1 ZINC000894569308 583485264 /nfs/dbraw/zinc/48/52/64/583485264.db2.gz ICFUOZPYLHBBLO-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO CN(C)c1cc(N(C)Cc2cn(C)nn2)[nH+]cn1 ZINC000894569308 583485265 /nfs/dbraw/zinc/48/52/65/583485265.db2.gz ICFUOZPYLHBBLO-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO CS(=O)(=O)C1CC([NH2+]C(CF)CF)C1 ZINC000894666112 583502597 /nfs/dbraw/zinc/50/25/97/583502597.db2.gz GAIXDQZASDUMOX-UHFFFAOYSA-N 1 2 227.276 0.459 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000894679077 583504862 /nfs/dbraw/zinc/50/48/62/583504862.db2.gz KGPANWJCEZUXOD-AOOOYVTPSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000894679077 583504864 /nfs/dbraw/zinc/50/48/64/583504864.db2.gz KGPANWJCEZUXOD-AOOOYVTPSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1ncoc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000894686673 583507285 /nfs/dbraw/zinc/50/72/85/583507285.db2.gz WHHYLJAWSLFDOD-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO Cc1ncoc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000894686673 583507286 /nfs/dbraw/zinc/50/72/86/583507286.db2.gz WHHYLJAWSLFDOD-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO CNc1cc(NC[C@H](O)[C@H]2CCCO2)[nH+]cn1 ZINC000894724470 583515008 /nfs/dbraw/zinc/51/50/08/583515008.db2.gz JKIQCGVMZKZDKJ-DTWKUNHWSA-N 1 2 238.291 0.470 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH+]2CC(C)(OC)C2)C1(F)F ZINC000894781470 583520673 /nfs/dbraw/zinc/52/06/73/583520673.db2.gz PUJHVAOQFQBJEO-JGVFFNPUSA-N 1 2 249.257 0.761 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@@H]1CCC13CCC3)CC2 ZINC000894810600 583523417 /nfs/dbraw/zinc/52/34/17/583523417.db2.gz RPZUEOHHMLUWLT-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@@H]1CCC13CCC3)CC2 ZINC000894810600 583523419 /nfs/dbraw/zinc/52/34/19/583523419.db2.gz RPZUEOHHMLUWLT-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CCn1cc(C[NH+]2CC(C)(O)C2)c(C)n1 ZINC000894830798 583527537 /nfs/dbraw/zinc/52/75/37/583527537.db2.gz NRDYYUVHWXSBCW-UHFFFAOYSA-N 1 2 209.293 0.778 20 0 BCADLO CNC(=O)C1C[NH+](Cc2nccn2C2CC2)C1 ZINC000894837706 583529252 /nfs/dbraw/zinc/52/92/52/583529252.db2.gz VXEDFUGPMIQKER-UHFFFAOYSA-N 1 2 234.303 0.396 20 0 BCADLO CNC(=O)C1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894837706 583529253 /nfs/dbraw/zinc/52/92/53/583529253.db2.gz VXEDFUGPMIQKER-UHFFFAOYSA-N 1 2 234.303 0.396 20 0 BCADLO CC1(C)COC[C@H]1[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000894871430 583539460 /nfs/dbraw/zinc/53/94/60/583539460.db2.gz UOKJQAUXDKCCSA-GHMZBOCLSA-N 1 2 249.314 0.623 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH2+]C(CF)CF)C1(F)F ZINC000894872763 583540010 /nfs/dbraw/zinc/54/00/10/583540010.db2.gz ICKJPOLIEWGUME-NKWVEPMBSA-N 1 2 243.200 0.938 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@@H+]2CCOC[C@@H]2C)C1(F)F ZINC000894874740 583541203 /nfs/dbraw/zinc/54/12/03/583541203.db2.gz XCJKTTFLQUVAEW-XHNCKOQMSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@H](C[N@H+]2CCOC[C@@H]2C)C1(F)F ZINC000894874740 583541204 /nfs/dbraw/zinc/54/12/04/583541204.db2.gz XCJKTTFLQUVAEW-XHNCKOQMSA-N 1 2 249.257 0.761 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2ncncc2C1 ZINC000880597129 583547246 /nfs/dbraw/zinc/54/72/46/583547246.db2.gz OJQGSWRIKGPZCL-NSHDSACASA-N 1 2 232.287 0.113 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCc2ncncc2C1 ZINC000880597129 583547247 /nfs/dbraw/zinc/54/72/47/583547247.db2.gz OJQGSWRIKGPZCL-NSHDSACASA-N 1 2 232.287 0.113 20 0 BCADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)COC(C)=O ZINC000894897158 583551006 /nfs/dbraw/zinc/55/10/06/583551006.db2.gz JQYWVHCUYPKSRN-KCJUWKMLSA-N 1 2 243.303 0.869 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000894906506 583553715 /nfs/dbraw/zinc/55/37/15/583553715.db2.gz KXECLYSMORKTLV-MRVPVSSYSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1ncoc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000894906506 583553716 /nfs/dbraw/zinc/55/37/16/583553716.db2.gz KXECLYSMORKTLV-MRVPVSSYSA-N 1 2 209.249 0.433 20 0 BCADLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000894943488 583557382 /nfs/dbraw/zinc/55/73/82/583557382.db2.gz KYKHIWVEQMWBSO-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000894943488 583557383 /nfs/dbraw/zinc/55/73/83/583557383.db2.gz KYKHIWVEQMWBSO-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO CCOC1C[NH+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894971453 583561305 /nfs/dbraw/zinc/56/13/05/583561305.db2.gz ZJKVEEPLFRAUBJ-RKDXNWHRSA-N 1 2 249.257 0.761 20 0 BCADLO CC[C@@](C)(C[NH2+][C@@](C)(CO)C(=O)OC)OC ZINC000894972231 583561372 /nfs/dbraw/zinc/56/13/72/583561372.db2.gz NQXAPLWETHWFRW-QWRGUYRKSA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCSC1 ZINC000894973130 583562339 /nfs/dbraw/zinc/56/23/39/583562339.db2.gz XYHCRYZLKXIFRL-SCZZXKLOSA-N 1 2 233.333 0.253 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000895014405 583568857 /nfs/dbraw/zinc/56/88/57/583568857.db2.gz IWRQLYLLHHVHKZ-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000895014405 583568858 /nfs/dbraw/zinc/56/88/58/583568858.db2.gz IWRQLYLLHHVHKZ-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cncn3C)C2)n[nH]1 ZINC000895008460 583569560 /nfs/dbraw/zinc/56/95/60/583569560.db2.gz YJYKZPOOGUMFRE-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3cncn3C)C2)n[nH]1 ZINC000895008460 583569561 /nfs/dbraw/zinc/56/95/61/583569561.db2.gz YJYKZPOOGUMFRE-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000895046594 583571130 /nfs/dbraw/zinc/57/11/30/583571130.db2.gz OONMETHYMVUGLI-UHFFFAOYSA-N 1 2 239.275 0.661 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cc(F)ncc1F ZINC000895046377 583571208 /nfs/dbraw/zinc/57/12/08/583571208.db2.gz ISAXGRBFNUWUEX-UHFFFAOYSA-N 1 2 245.229 0.469 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1ccc(Cl)nn1 ZINC000895045556 583571689 /nfs/dbraw/zinc/57/16/89/583571689.db2.gz NVQJTFJYWMZKOH-UHFFFAOYSA-N 1 2 244.682 0.239 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2c(C)ccnc2N)C1 ZINC000895056809 583575154 /nfs/dbraw/zinc/57/51/54/583575154.db2.gz BWTNMURFCPRVJF-UHFFFAOYSA-N 1 2 249.314 0.967 20 0 BCADLO CC(C)c1c[nH]c(CN2CC(C)(C(N)=O)C2)[nH+]1 ZINC000895074400 583580033 /nfs/dbraw/zinc/58/00/33/583580033.db2.gz OQTJAZUJNGURQC-UHFFFAOYSA-N 1 2 236.319 0.840 20 0 BCADLO CNc1cc(NCc2nonc2C)nc[nH+]1 ZINC000895092375 583587280 /nfs/dbraw/zinc/58/72/80/583587280.db2.gz PYKONMVSENTGAZ-UHFFFAOYSA-N 1 2 220.236 0.822 20 0 BCADLO CNc1cc(NCc2nonc2C)[nH+]cn1 ZINC000895092375 583587281 /nfs/dbraw/zinc/58/72/81/583587281.db2.gz PYKONMVSENTGAZ-UHFFFAOYSA-N 1 2 220.236 0.822 20 0 BCADLO CC[C@@](C)(C[NH2+][C@H](C)c1n[nH]c(=O)n1C)OC ZINC000895170502 583612303 /nfs/dbraw/zinc/61/23/03/583612303.db2.gz DUUCXSDYGAYMQX-KCJUWKMLSA-N 1 2 242.323 0.986 20 0 BCADLO COC1CC([NH2+][C@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895173785 583613656 /nfs/dbraw/zinc/61/36/56/583613656.db2.gz CAJLNNCQYCKKQV-JECWYVHBSA-N 1 2 226.280 0.349 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179365 583617246 /nfs/dbraw/zinc/61/72/46/583617246.db2.gz HRGUWWLUZQCJAA-RQJHMYQMSA-N 1 2 228.321 0.677 20 0 BCADLO Cn1ccnc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000857773015 588911135 /nfs/dbraw/zinc/91/11/35/588911135.db2.gz FTKSNLPNRIXCLP-QMMMGPOBSA-N 1 2 231.259 0.491 20 0 BCADLO Cc1cc(C)c(CNC(=O)N2CC[C@H]2CO)c[nH+]1 ZINC000895255512 583633656 /nfs/dbraw/zinc/63/36/56/583633656.db2.gz YWMZZKQBEJZHRZ-LBPRGKRZSA-N 1 2 249.314 0.975 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC2(CC2)C1 ZINC000895291521 583636991 /nfs/dbraw/zinc/63/69/91/583636991.db2.gz MYCZVVKIQQOTFO-UHFFFAOYSA-N 1 2 215.260 0.964 20 0 BCADLO CC1=NO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000895308532 583646553 /nfs/dbraw/zinc/64/65/53/583646553.db2.gz MONLGPMUKHHWKQ-VIFPVBQESA-N 1 2 209.253 0.070 20 0 BCADLO Cn1ccnc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895315435 583647894 /nfs/dbraw/zinc/64/78/94/583647894.db2.gz HCMZKYATCXKZDD-SECBINFHSA-N 1 2 222.292 0.034 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1csnn1 ZINC000895317292 583648050 /nfs/dbraw/zinc/64/80/50/583648050.db2.gz VWHVCAFUFIDROB-ZETCQYMHSA-N 1 2 226.305 0.152 20 0 BCADLO Cc1noc2ncc(C[NH2+]Cc3cnn[nH]3)cc12 ZINC000895379743 583662422 /nfs/dbraw/zinc/66/24/22/583662422.db2.gz PFXCLPQEZNZJKK-UHFFFAOYSA-N 1 2 244.258 0.939 20 0 BCADLO CCOC1CC(C[N@H+](C)C2CS(=O)(=O)C2)C1 ZINC000895398386 583665112 /nfs/dbraw/zinc/66/51/12/583665112.db2.gz QWNQBFWBZWYZTH-UHFFFAOYSA-N 1 2 247.360 0.530 20 0 BCADLO CCOC1CC(C[N@@H+](C)C2CS(=O)(=O)C2)C1 ZINC000895398386 583665113 /nfs/dbraw/zinc/66/51/13/583665113.db2.gz QWNQBFWBZWYZTH-UHFFFAOYSA-N 1 2 247.360 0.530 20 0 BCADLO C[N@H+](CC[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000895398582 583665253 /nfs/dbraw/zinc/66/52/53/583665253.db2.gz WKLTXCWGITZZCW-VIFPVBQESA-N 1 2 233.333 0.142 20 0 BCADLO C[N@@H+](CC[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000895398582 583665256 /nfs/dbraw/zinc/66/52/56/583665256.db2.gz WKLTXCWGITZZCW-VIFPVBQESA-N 1 2 233.333 0.142 20 0 BCADLO C[N@H+](CCC1CCOCC1)C1CS(=O)(=O)C1 ZINC000895398557 583665293 /nfs/dbraw/zinc/66/52/93/583665293.db2.gz VNMOMLLUYCPRPI-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO C[N@@H+](CCC1CCOCC1)C1CS(=O)(=O)C1 ZINC000895398557 583665295 /nfs/dbraw/zinc/66/52/95/583665295.db2.gz VNMOMLLUYCPRPI-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CS(=O)(=O)C1 ZINC000895399229 583665803 /nfs/dbraw/zinc/66/58/03/583665803.db2.gz LOHBJCHKTNFOCJ-ILWJIGKKSA-N 1 2 229.345 0.761 20 0 BCADLO C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CS(=O)(=O)C1 ZINC000895399229 583665804 /nfs/dbraw/zinc/66/58/04/583665804.db2.gz LOHBJCHKTNFOCJ-ILWJIGKKSA-N 1 2 229.345 0.761 20 0 BCADLO Cc1coc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000895411564 583666927 /nfs/dbraw/zinc/66/69/27/583666927.db2.gz PVSKVQPXFHRTIT-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO Cc1coc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000895411564 583666929 /nfs/dbraw/zinc/66/69/29/583666929.db2.gz PVSKVQPXFHRTIT-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO O=C(C[C@@H]1CCCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885185 588920463 /nfs/dbraw/zinc/92/04/63/588920463.db2.gz LMOHDJBZHIAHGI-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884530 588920703 /nfs/dbraw/zinc/92/07/03/588920703.db2.gz KAPYDYXBPZHSJW-BCEXGZMNSA-N 1 2 247.298 0.659 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ncccn1 ZINC000857889903 588921009 /nfs/dbraw/zinc/92/10/09/588921009.db2.gz OSMXMPHOKAUSKQ-MRVPVSSYSA-N 1 2 229.243 0.028 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000857890574 588921450 /nfs/dbraw/zinc/92/14/50/588921450.db2.gz AXISTKMXPKSTHW-YFKPBYRVSA-N 1 2 201.176 0.189 20 0 BCADLO Cn1ncnc1C1(O)C[NH+](CC2(C)CCC2)C1 ZINC000895618378 583696962 /nfs/dbraw/zinc/69/69/62/583696962.db2.gz HKKXDQLMFBPLPN-UHFFFAOYSA-N 1 2 236.319 0.509 20 0 BCADLO Cn1ncnc1C1(O)C[NH+](CCC(C)(C)C)C1 ZINC000895619423 583697023 /nfs/dbraw/zinc/69/70/23/583697023.db2.gz WIFDCFDPLFZDIM-UHFFFAOYSA-N 1 2 238.335 0.755 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CO)c[nH+]1 ZINC000895662953 583702871 /nfs/dbraw/zinc/70/28/71/583702871.db2.gz HJLALPSEZXBUBF-SECBINFHSA-N 1 2 225.292 0.424 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H](C)O ZINC000895743308 583716261 /nfs/dbraw/zinc/71/62/61/583716261.db2.gz FXSPJQXFZAHVCE-HXFLIBJXSA-N 1 2 233.333 0.392 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2nc[nH]n2)c[nH+]1 ZINC000895665385 583705132 /nfs/dbraw/zinc/70/51/32/583705132.db2.gz JJBAWWQXFLEFET-UHFFFAOYSA-N 1 2 234.263 0.683 20 0 BCADLO CC[C@H](C)[C@@H](C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895743719 583715966 /nfs/dbraw/zinc/71/59/66/583715966.db2.gz LUNSVQAEVSPPMC-ZDCRXTMVSA-N 1 2 247.335 0.560 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCn2ccnc21 ZINC000857913851 588923792 /nfs/dbraw/zinc/92/37/92/588923792.db2.gz FUUYCCVYPMHAQD-UHFFFAOYSA-N 1 2 231.259 0.517 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(F)CC1 ZINC000857939766 588924190 /nfs/dbraw/zinc/92/41/90/588924190.db2.gz QLLJIMMDYOLLDU-MRVPVSSYSA-N 1 2 223.251 0.816 20 0 BCADLO COC(C[N@@H+]1CCc2cnc(N)nc2C1)OC ZINC000857923935 588924206 /nfs/dbraw/zinc/92/42/06/588924206.db2.gz QFBOJBDAFPANOG-UHFFFAOYSA-N 1 2 238.291 0.036 20 0 BCADLO COC(C[N@H+]1CCc2cnc(N)nc2C1)OC ZINC000857923935 588924207 /nfs/dbraw/zinc/92/42/07/588924207.db2.gz QFBOJBDAFPANOG-UHFFFAOYSA-N 1 2 238.291 0.036 20 0 BCADLO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCOC1=O ZINC000895808652 583729526 /nfs/dbraw/zinc/72/95/26/583729526.db2.gz LQHYRTIBPLTDQL-GUBZILKMSA-N 1 2 240.303 0.339 20 0 BCADLO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCOC1=O ZINC000895808653 583729832 /nfs/dbraw/zinc/72/98/32/583729832.db2.gz LQHYRTIBPLTDQL-UTLUCORTSA-N 1 2 240.303 0.339 20 0 BCADLO CC(C)OC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895806524 583731961 /nfs/dbraw/zinc/73/19/61/583731961.db2.gz AGJNLCKLNPXGGA-BDAKNGLRSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCOC1=O)[C@H]1CCCCO1 ZINC000895807996 583732465 /nfs/dbraw/zinc/73/24/65/583732465.db2.gz GHQSMZONNLQOID-KXUCPTDWSA-N 1 2 213.277 0.849 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000895808462 583732551 /nfs/dbraw/zinc/73/25/51/583732551.db2.gz NDVJFDJXYKLSJW-AEJSXWLSSA-N 1 2 225.288 0.849 20 0 BCADLO CO[C@H](C[NH2+][C@H]1CCOC1=O)C1CCOCC1 ZINC000895807487 583732687 /nfs/dbraw/zinc/73/26/87/583732687.db2.gz POTRZYDLGRRUCU-WDEREUQCSA-N 1 2 243.303 0.333 20 0 BCADLO CSC1CC([NH2+][C@H]2CCOC2=O)C1 ZINC000895812204 583733443 /nfs/dbraw/zinc/73/34/43/583733443.db2.gz OFORTZXDMRJWPJ-RRQHEKLDSA-N 1 2 201.291 0.786 20 0 BCADLO CCN(CCC(N)=O)c1cc[nH+]c(C)n1 ZINC000895889867 583739624 /nfs/dbraw/zinc/73/96/24/583739624.db2.gz WQOBDFBNPZJRFU-UHFFFAOYSA-N 1 2 208.265 0.487 20 0 BCADLO CCn1cnc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857975535 588926028 /nfs/dbraw/zinc/92/60/28/588926028.db2.gz OXCJNDVXBAFFOO-SECBINFHSA-N 1 2 245.286 0.974 20 0 BCADLO Cc1cc(N2CCOCN2)[nH+]c(C2CC2)n1 ZINC000895922504 583746750 /nfs/dbraw/zinc/74/67/50/583746750.db2.gz JXBKCNVFJFRZRN-UHFFFAOYSA-N 1 2 220.276 0.961 20 0 BCADLO CCc1cc(N2CCOCN2)[nH+]c(C)n1 ZINC000895924787 583747326 /nfs/dbraw/zinc/74/73/26/583747326.db2.gz YIIHLHULZYUEAX-UHFFFAOYSA-N 1 2 208.265 0.646 20 0 BCADLO Cc1ccn(CC(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857976573 588926108 /nfs/dbraw/zinc/92/61/08/588926108.db2.gz HHDQCAHAZATZEP-JTQLQIEISA-N 1 2 245.286 0.649 20 0 BCADLO COc1nc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC000857976019 588926191 /nfs/dbraw/zinc/92/61/91/588926191.db2.gz VOQKAXSSTVNZPC-ZETCQYMHSA-N 1 2 248.242 0.755 20 0 BCADLO COc1nc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC000857976018 588926199 /nfs/dbraw/zinc/92/61/99/588926199.db2.gz VOQKAXSSTVNZPC-SSDOTTSWSA-N 1 2 248.242 0.755 20 0 BCADLO CO[C@@H]1CN(Cc2c(C)cc[nH+]c2N)CCO1 ZINC000895961842 583751063 /nfs/dbraw/zinc/75/10/63/583751063.db2.gz FUAMPYNGFSUGLU-NSHDSACASA-N 1 2 237.303 0.777 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H](O)C1CCC1 ZINC000857977368 588926755 /nfs/dbraw/zinc/92/67/55/588926755.db2.gz CUFHURFQBFYDBG-MWLCHTKSSA-N 1 2 235.287 0.605 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978526 588926777 /nfs/dbraw/zinc/92/67/77/588926777.db2.gz HPWGLURLQOORGX-MWLCHTKSSA-N 1 2 235.287 0.869 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2cncnc2)CS1(=O)=O ZINC000895979147 583757610 /nfs/dbraw/zinc/75/76/10/583757610.db2.gz YRKLSOWSRYLHHB-VIFPVBQESA-N 1 2 241.316 0.142 20 0 BCADLO CC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H](C)O ZINC000857978235 588927043 /nfs/dbraw/zinc/92/70/43/588927043.db2.gz CUXAOCZFNMLPNZ-UTLUCORTSA-N 1 2 237.303 0.851 20 0 BCADLO Cc1cn[nH]c1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895984029 583758906 /nfs/dbraw/zinc/75/89/06/583758906.db2.gz YTGYIMJEPXICEQ-VIFPVBQESA-N 1 2 243.332 0.383 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895984029 583758907 /nfs/dbraw/zinc/75/89/07/583758907.db2.gz YTGYIMJEPXICEQ-VIFPVBQESA-N 1 2 243.332 0.383 20 0 BCADLO C/C=C/CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896018448 583763645 /nfs/dbraw/zinc/76/36/45/583763645.db2.gz NKAMRELLZNEQAQ-ONEGZZNKSA-N 1 2 208.265 0.795 20 0 BCADLO C[C@@](O)(CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857980948 588927534 /nfs/dbraw/zinc/92/75/34/588927534.db2.gz TUDQVKPORRTJRK-ZWNOBZJWSA-N 1 2 249.314 0.995 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)ncn1 ZINC000857980855 588927658 /nfs/dbraw/zinc/92/76/58/588927658.db2.gz RKSMFQNHAXNRQV-SECBINFHSA-N 1 2 243.270 0.856 20 0 BCADLO CCn1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857979592 588927662 /nfs/dbraw/zinc/92/76/62/588927662.db2.gz WTTIIYLSJXEOJP-QMMMGPOBSA-N 1 2 246.274 0.369 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857981657 588928100 /nfs/dbraw/zinc/92/81/00/588928100.db2.gz AKCALOMNSHUQJK-QMMMGPOBSA-N 1 2 231.259 0.491 20 0 BCADLO Cc1cc(NCC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000896136504 583775372 /nfs/dbraw/zinc/77/53/72/583775372.db2.gz UGAGWPPHRMRFAV-VIFPVBQESA-N 1 2 220.276 0.723 20 0 BCADLO CCc1cc(NCC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000896135388 583775618 /nfs/dbraw/zinc/77/56/18/583775618.db2.gz QFXITYURWDXBAE-VIFPVBQESA-N 1 2 234.303 0.977 20 0 BCADLO CCc1nc(NCC[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000896135777 583775666 /nfs/dbraw/zinc/77/56/66/583775666.db2.gz JOAOSAGZDGKULM-VIFPVBQESA-N 1 2 234.303 0.977 20 0 BCADLO CN(C)c1cc(NCC[C@H]2CNC(=O)C2)[nH+]cn1 ZINC000896136660 583775749 /nfs/dbraw/zinc/77/57/49/583775749.db2.gz XNGKQALISGMISI-SECBINFHSA-N 1 2 249.318 0.481 20 0 BCADLO CN(C)c1cc(NCC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000896136660 583775750 /nfs/dbraw/zinc/77/57/50/583775750.db2.gz XNGKQALISGMISI-SECBINFHSA-N 1 2 249.318 0.481 20 0 BCADLO Cc1cnn(CC(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857984986 588928364 /nfs/dbraw/zinc/92/83/64/588928364.db2.gz GTEWYNMUUOGARN-JTQLQIEISA-N 1 2 245.286 0.649 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984580 588928387 /nfs/dbraw/zinc/92/83/87/588928387.db2.gz KEPQNDUMLUDPBF-RKDXNWHRSA-N 1 2 223.276 0.869 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984154 588928455 /nfs/dbraw/zinc/92/84/55/588928455.db2.gz GTSZSIDWIVXTAG-SECBINFHSA-N 1 2 223.276 0.871 20 0 BCADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)n1cccn1 ZINC000857984991 588928508 /nfs/dbraw/zinc/92/85/08/588928508.db2.gz GUBSXUNNQFYOPD-UWVGGRQHSA-N 1 2 245.286 0.902 20 0 BCADLO CCn1nccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983300 588928620 /nfs/dbraw/zinc/92/86/20/588928620.db2.gz ZRCPYNLGHUUSHA-SECBINFHSA-N 1 2 245.286 0.974 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985273 588928781 /nfs/dbraw/zinc/92/87/81/588928781.db2.gz OGNNIBGVCYZMMR-YUMQZZPRSA-N 1 2 209.249 0.479 20 0 BCADLO CONC(=O)CNc1[nH+]c2ccccc2n1C ZINC000896195426 583782047 /nfs/dbraw/zinc/78/20/47/583782047.db2.gz JFUQTWCAXYGSSP-UHFFFAOYSA-N 1 2 234.259 0.663 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985544 588929048 /nfs/dbraw/zinc/92/90/48/588929048.db2.gz IEPHYDPGWWYCPD-VIFPVBQESA-N 1 2 231.259 0.789 20 0 BCADLO CCCOCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986557 588929108 /nfs/dbraw/zinc/92/91/08/588929108.db2.gz WNHMDHIDLXPLOY-VIFPVBQESA-N 1 2 223.276 0.871 20 0 BCADLO COCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985516 588929276 /nfs/dbraw/zinc/92/92/76/588929276.db2.gz OQSYYYIRJNQMLK-MRVPVSSYSA-N 1 2 209.249 0.481 20 0 BCADLO CCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC000857986979 588929293 /nfs/dbraw/zinc/92/92/93/588929293.db2.gz QKIVTPVVWRMHHQ-JTQLQIEISA-N 1 2 245.286 0.974 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)(C)O)CCN2 ZINC000857999152 588930658 /nfs/dbraw/zinc/93/06/58/588930658.db2.gz QNQAZDKHGKZOPL-UHFFFAOYSA-N 1 2 235.287 0.919 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896571470 583813361 /nfs/dbraw/zinc/81/33/61/583813361.db2.gz KBAGYKRXZCPDOY-MNOVXSKESA-N 1 2 241.379 0.783 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896571470 583813363 /nfs/dbraw/zinc/81/33/63/583813363.db2.gz KBAGYKRXZCPDOY-MNOVXSKESA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896573830 583813868 /nfs/dbraw/zinc/81/38/68/583813868.db2.gz CEBSEYYKIZUVKV-TUAOUCFPSA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896573830 583813870 /nfs/dbraw/zinc/81/38/70/583813870.db2.gz CEBSEYYKIZUVKV-TUAOUCFPSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582464 583816451 /nfs/dbraw/zinc/81/64/51/583816451.db2.gz WYKMYBFBFBODJE-NOOOWODRSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896582464 583816453 /nfs/dbraw/zinc/81/64/53/583816453.db2.gz WYKMYBFBFBODJE-NOOOWODRSA-N 1 2 239.363 0.393 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1c(Cl)cnn1C ZINC000896710924 583825581 /nfs/dbraw/zinc/82/55/81/583825581.db2.gz AINGQWUVNSVYQU-UHFFFAOYSA-N 1 2 244.726 0.771 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1c(Cl)cnn1C ZINC000896710924 583825583 /nfs/dbraw/zinc/82/55/83/583825583.db2.gz AINGQWUVNSVYQU-UHFFFAOYSA-N 1 2 244.726 0.771 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ccncn2)[nH+]c1C ZINC000896911469 583853187 /nfs/dbraw/zinc/85/31/87/583853187.db2.gz VCURMLFEULIXKM-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1[nH]c(CNC(=O)C2CC(=O)C2)[nH+]c1C ZINC000896913366 583854214 /nfs/dbraw/zinc/85/42/14/583854214.db2.gz QVFIUOVAAZPELG-UHFFFAOYSA-N 1 2 221.260 0.622 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc[nH+]1 ZINC000896917723 583856042 /nfs/dbraw/zinc/85/60/42/583856042.db2.gz BPYGKTSSEQWWON-GWCFXTLKSA-N 1 2 246.314 0.877 20 0 BCADLO Cc1nonc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919668 583856139 /nfs/dbraw/zinc/85/61/39/583856139.db2.gz XAGORRXOZMALJT-UHFFFAOYSA-N 1 2 235.247 0.648 20 0 BCADLO Cc1[nH]c(CNC(=O)Cc2cnn(C)c2)[nH+]c1C ZINC000896921736 583856882 /nfs/dbraw/zinc/85/68/82/583856882.db2.gz QUJHVEQWVDJVJP-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cocn2)[nH+]c1C ZINC000896921093 583857147 /nfs/dbraw/zinc/85/71/47/583857147.db2.gz ZTBLOQMVYXKVGF-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CO[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921423 583857201 /nfs/dbraw/zinc/85/72/01/583857201.db2.gz MNEIIRTYUFDCQY-QMMMGPOBSA-N 1 2 211.265 0.678 20 0 BCADLO CONC(=O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000896925562 583858250 /nfs/dbraw/zinc/85/82/50/583858250.db2.gz ZFPFRLPDUZVYIK-KXUCPTDWSA-N 1 2 212.293 0.690 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000896927005 583858527 /nfs/dbraw/zinc/85/85/27/583858527.db2.gz NUGZNOPZELLBMN-NXEZZACHSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000896926948 583858903 /nfs/dbraw/zinc/85/89/03/583858903.db2.gz MLLSRGIQEWHCKC-BDAKNGLRSA-N 1 2 200.282 0.688 20 0 BCADLO Cc1cc(N2CCO[C@@H]3COCC[C@@H]32)nc[nH+]1 ZINC000897053914 583874811 /nfs/dbraw/zinc/87/48/11/583874811.db2.gz CQGZCYPPEXENOO-WDEREUQCSA-N 1 2 235.287 0.779 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000897084516 583878045 /nfs/dbraw/zinc/87/80/45/583878045.db2.gz GQHUZBCGYXLUHE-AUTRQRHGSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000897084516 583878048 /nfs/dbraw/zinc/87/80/48/583878048.db2.gz GQHUZBCGYXLUHE-AUTRQRHGSA-N 1 2 249.314 0.808 20 0 BCADLO CCc1nc(N2CC[C@@H]2CO)cc(C)[nH+]1 ZINC000897119420 583882522 /nfs/dbraw/zinc/88/25/22/583882522.db2.gz ZBTNSDAZEDKJMG-SECBINFHSA-N 1 2 207.277 0.918 20 0 BCADLO CCONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000858262157 588940535 /nfs/dbraw/zinc/94/05/35/588940535.db2.gz IMHZXNYXESVYQE-VIFPVBQESA-N 1 2 223.276 0.822 20 0 BCADLO Cc1nc(NCCCc2nnnn2C)cc[nH+]1 ZINC000897251910 583903210 /nfs/dbraw/zinc/90/32/10/583903210.db2.gz HOQBCTYLRXGAAB-UHFFFAOYSA-N 1 2 233.279 0.353 20 0 BCADLO CONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000858301048 588943144 /nfs/dbraw/zinc/94/31/44/588943144.db2.gz XIMHEZWBOVEKIB-QMMMGPOBSA-N 1 2 209.249 0.432 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000897363049 583941498 /nfs/dbraw/zinc/94/14/98/583941498.db2.gz GWFFXGQJECZJRV-MWLCHTKSSA-N 1 2 237.303 0.504 20 0 BCADLO CCc1nc(N2CC[C@H](O)[C@H](F)C2)cc[nH+]1 ZINC000897375610 583945417 /nfs/dbraw/zinc/94/54/17/583945417.db2.gz YWQHBHUWSXOCOY-BDAKNGLRSA-N 1 2 225.267 0.948 20 0 BCADLO C[C@@H](CC(=O)NC[C@@H]1COCO1)n1cc[nH+]c1 ZINC000861980701 583959593 /nfs/dbraw/zinc/95/95/93/583959593.db2.gz IFHZYJIDOAVWTQ-VHSXEESVSA-N 1 2 239.275 0.323 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000858325114 588945602 /nfs/dbraw/zinc/94/56/02/588945602.db2.gz MJGMIVPQHQSIHV-SSDOTTSWSA-N 1 2 243.332 0.949 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000858323663 588945656 /nfs/dbraw/zinc/94/56/56/588945656.db2.gz ZVLMXKHOUYOMLW-MRVPVSSYSA-N 1 2 243.332 0.949 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000888145392 583970486 /nfs/dbraw/zinc/97/04/86/583970486.db2.gz KDENAUUTJOCVNO-DTORHVGOSA-N 1 2 220.276 0.581 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@]12C[C@H]1COC2 ZINC000888145121 583970742 /nfs/dbraw/zinc/97/07/42/583970742.db2.gz GEMUFAVJXRHPPK-KWQFWETISA-N 1 2 236.275 0.008 20 0 BCADLO C[C@H](CC(=O)N1CC[C@H]1CO)n1cc[nH+]c1 ZINC000889158283 583982700 /nfs/dbraw/zinc/98/27/00/583982700.db2.gz ZNPNCDQQDLVBKS-ZJUUUORDSA-N 1 2 223.276 0.427 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC[C@H]3CO)cc2[nH+]1 ZINC000889159639 583983134 /nfs/dbraw/zinc/98/31/34/583983134.db2.gz LEWMPUSKKKGDKE-NSHDSACASA-N 1 2 245.282 0.850 20 0 BCADLO COC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729386857 583996898 /nfs/dbraw/zinc/99/68/98/583996898.db2.gz XBHSROSBWPRPOH-QMMMGPOBSA-N 1 2 202.254 0.063 20 0 BCADLO COC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729386857 583996901 /nfs/dbraw/zinc/99/69/01/583996901.db2.gz XBHSROSBWPRPOH-QMMMGPOBSA-N 1 2 202.254 0.063 20 0 BCADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(N)=O)o1 ZINC000729481543 584015085 /nfs/dbraw/zinc/01/50/85/584015085.db2.gz CZBWJAFUONXJSX-ZETCQYMHSA-N 1 2 240.259 0.372 20 0 BCADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(N)=O)o1 ZINC000729481543 584015086 /nfs/dbraw/zinc/01/50/86/584015086.db2.gz CZBWJAFUONXJSX-ZETCQYMHSA-N 1 2 240.259 0.372 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2ccc(F)nn2)C1 ZINC000865535073 584022627 /nfs/dbraw/zinc/02/26/27/584022627.db2.gz ORKDCAJPBDDSMB-VIFPVBQESA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(F)nn2)C1 ZINC000865535073 584022628 /nfs/dbraw/zinc/02/26/28/584022628.db2.gz ORKDCAJPBDDSMB-VIFPVBQESA-N 1 2 239.298 0.273 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920212 584029923 /nfs/dbraw/zinc/02/99/23/584029923.db2.gz LDCGOSBDGAQRIZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920212 584029926 /nfs/dbraw/zinc/02/99/26/584029926.db2.gz LDCGOSBDGAQRIZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729920212 584029929 /nfs/dbraw/zinc/02/99/29/584029929.db2.gz LDCGOSBDGAQRIZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729920212 584029931 /nfs/dbraw/zinc/02/99/31/584029931.db2.gz LDCGOSBDGAQRIZ-MNOVXSKESA-N 1 2 235.287 0.836 20 0 BCADLO CC[N@H+](CCC(=O)NC)Cc1cn[nH]c1C ZINC000897709598 584042180 /nfs/dbraw/zinc/04/21/80/584042180.db2.gz GBAPJRTWCBLNHJ-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CC[N@@H+](CCC(=O)NC)Cc1cn[nH]c1C ZINC000897709598 584042181 /nfs/dbraw/zinc/04/21/81/584042181.db2.gz GBAPJRTWCBLNHJ-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCCn1cc(C[NH2+][C@@]2(C)CCNC2=O)nn1 ZINC000897866836 584055354 /nfs/dbraw/zinc/05/53/54/584055354.db2.gz IAGVIQRAABHKKJ-NSHDSACASA-N 1 2 237.307 0.056 20 0 BCADLO C[C@]1([NH2+]Cc2cc3n(n2)CCCC3)CCNC1=O ZINC000897869429 584056301 /nfs/dbraw/zinc/05/63/01/584056301.db2.gz RMCYDCVSUSADHA-ZDUSSCGKSA-N 1 2 248.330 0.588 20 0 BCADLO O=C1NC(=O)C2(C[NH+](Cc3cccs3)C2)N1 ZINC000897908173 584059791 /nfs/dbraw/zinc/05/97/91/584059791.db2.gz RXWPCHZHPGJDRX-UHFFFAOYSA-N 1 2 237.284 0.142 20 0 BCADLO CC(=O)c1cn(C2C[NH+](CC(C)C)C2)nn1 ZINC000897938867 584063094 /nfs/dbraw/zinc/06/30/94/584063094.db2.gz NUGOQPWHRQKZCG-UHFFFAOYSA-N 1 2 222.292 0.993 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3nonc3c2)n1 ZINC000897991785 584073236 /nfs/dbraw/zinc/07/32/36/584073236.db2.gz UBEBSCKKXATIGS-UHFFFAOYSA-N 1 2 244.258 0.641 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898194449 584095981 /nfs/dbraw/zinc/09/59/81/584095981.db2.gz ZGMKJUUQUGIKNV-WDEREUQCSA-N 1 2 229.251 0.677 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898194449 584095983 /nfs/dbraw/zinc/09/59/83/584095983.db2.gz ZGMKJUUQUGIKNV-WDEREUQCSA-N 1 2 229.251 0.677 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898194447 584096078 /nfs/dbraw/zinc/09/60/78/584096078.db2.gz ZGMKJUUQUGIKNV-MNOVXSKESA-N 1 2 229.251 0.677 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898194447 584096079 /nfs/dbraw/zinc/09/60/79/584096079.db2.gz ZGMKJUUQUGIKNV-MNOVXSKESA-N 1 2 229.251 0.677 20 0 BCADLO C[C@H](Nc1nccnc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000858453235 588956449 /nfs/dbraw/zinc/95/64/49/588956449.db2.gz QZRQXPYUECTAHC-IUCAKERBSA-N 1 2 240.282 0.747 20 0 BCADLO C[C@H](Nc1nccnc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000858453235 588956451 /nfs/dbraw/zinc/95/64/51/588956451.db2.gz QZRQXPYUECTAHC-IUCAKERBSA-N 1 2 240.282 0.747 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000898288623 584106148 /nfs/dbraw/zinc/10/61/48/584106148.db2.gz XTFUTLVUGJBJOX-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000898288623 584106149 /nfs/dbraw/zinc/10/61/49/584106149.db2.gz XTFUTLVUGJBJOX-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]1CO ZINC000889165042 584117902 /nfs/dbraw/zinc/11/79/02/584117902.db2.gz QUJKLNTYPILBIG-VIFPVBQESA-N 1 2 231.255 0.770 20 0 BCADLO O=C(CCn1ccnn1)OCCn1cc[nH+]c1 ZINC000787630366 584121138 /nfs/dbraw/zinc/12/11/38/584121138.db2.gz YIMGCAYAJUCIMS-UHFFFAOYSA-N 1 2 235.247 0.108 20 0 BCADLO CC[N@@H+]1CCN(CCS(C)(=O)=O)C[C@H]1C ZINC000730080689 584123925 /nfs/dbraw/zinc/12/39/25/584123925.db2.gz GQQNMJURLDPXFQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC[N@H+]1CCN(CCS(C)(=O)=O)C[C@H]1C ZINC000730080689 584123926 /nfs/dbraw/zinc/12/39/26/584123926.db2.gz GQQNMJURLDPXFQ-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCCO1 ZINC000898484638 584139137 /nfs/dbraw/zinc/13/91/37/584139137.db2.gz VMGQBZKSYAOOLJ-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CCCO1 ZINC000898484638 584139138 /nfs/dbraw/zinc/13/91/38/584139138.db2.gz VMGQBZKSYAOOLJ-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO Cc1ncc(C(=O)N2CC([NH+]3CCCC3)C2)[nH]1 ZINC000898611034 584146182 /nfs/dbraw/zinc/14/61/82/584146182.db2.gz QSSSUQJCFVRNMG-UHFFFAOYSA-N 1 2 234.303 0.638 20 0 BCADLO CN(C(=O)NCc1cn(C)c[nH+]1)[C@H]1CCOC1 ZINC000898629434 584146899 /nfs/dbraw/zinc/14/68/99/584146899.db2.gz KHSWIIDBXJKDSS-JTQLQIEISA-N 1 2 238.291 0.350 20 0 BCADLO C[C@H](O)CCN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898627803 584147079 /nfs/dbraw/zinc/14/70/79/584147079.db2.gz NULBMQWSEYNSTD-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628675 584147359 /nfs/dbraw/zinc/14/73/59/584147359.db2.gz VKKIBANXMOBTKJ-RKDXNWHRSA-N 1 2 240.307 0.379 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@](C)(O)C2)c1 ZINC000898620253 584147603 /nfs/dbraw/zinc/14/76/03/584147603.db2.gz KSCZBRRPSKOAPC-LLVKDONJSA-N 1 2 238.291 0.086 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCCCCO)c1 ZINC000898622482 584147751 /nfs/dbraw/zinc/14/77/51/584147751.db2.gz TYVNOPBJSHEFLQ-UHFFFAOYSA-N 1 2 240.307 0.382 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000898790348 584159911 /nfs/dbraw/zinc/15/99/11/584159911.db2.gz DJAWIYNCXNFLLY-MWLCHTKSSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000898790348 584159914 /nfs/dbraw/zinc/15/99/14/584159914.db2.gz DJAWIYNCXNFLLY-MWLCHTKSSA-N 1 2 224.308 0.501 20 0 BCADLO C/C(=C\C(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898883892 584163653 /nfs/dbraw/zinc/16/36/53/584163653.db2.gz MOSXCJWXIZKIIA-NKLKJHRZSA-N 1 2 249.314 0.926 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccncc1 ZINC000898881561 584164634 /nfs/dbraw/zinc/16/46/34/584164634.db2.gz NGGYZUXFPQYETR-JTQLQIEISA-N 1 2 246.270 0.279 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC=CCC1 ZINC000898881342 584164675 /nfs/dbraw/zinc/16/46/75/584164675.db2.gz LBIJLUMICKWTAC-QWRGUYRKSA-N 1 2 249.314 0.926 20 0 BCADLO CCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882417 584164834 /nfs/dbraw/zinc/16/48/34/584164834.db2.gz WGALJUAGIOJHHS-QMMMGPOBSA-N 1 2 211.265 0.370 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC(C)(F)F ZINC000898895964 584165081 /nfs/dbraw/zinc/16/50/81/584165081.db2.gz RWJLQNFPFFMWFW-SSDOTTSWSA-N 1 2 247.245 0.615 20 0 BCADLO CC(C)(CNC(=O)c1cnc[nH]1)n1cc[nH+]c1 ZINC000898901675 584165093 /nfs/dbraw/zinc/16/50/93/584165093.db2.gz DYKWDICXFHQWGG-UHFFFAOYSA-N 1 2 233.275 0.771 20 0 BCADLO Cc1coc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC000898895405 584165228 /nfs/dbraw/zinc/16/52/28/584165228.db2.gz HYOMIKJOMKBUIU-VIFPVBQESA-N 1 2 249.270 0.785 20 0 BCADLO O=C(NC1CSC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000898941711 584167386 /nfs/dbraw/zinc/16/73/86/584167386.db2.gz LAFHLVOCSJXGCB-HTQZYQBOSA-N 1 2 223.301 0.745 20 0 BCADLO O=C(NC1CSC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000898941711 584167388 /nfs/dbraw/zinc/16/73/88/584167388.db2.gz LAFHLVOCSJXGCB-HTQZYQBOSA-N 1 2 223.301 0.745 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12C[C@H]1COC2 ZINC000899246562 584187231 /nfs/dbraw/zinc/18/72/31/584187231.db2.gz VTBKRBDQNPPSER-AUTRQRHGSA-N 1 2 235.287 0.493 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12C[C@H]1COC2 ZINC000899246562 584187232 /nfs/dbraw/zinc/18/72/32/584187232.db2.gz VTBKRBDQNPPSER-AUTRQRHGSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000899246862 584187946 /nfs/dbraw/zinc/18/79/46/584187946.db2.gz ZUGABRDIFUDAHE-KWBADKCTSA-N 1 2 247.298 0.351 20 0 BCADLO O=C1CC(c2ccncc2)=NN1C1CC[NH2+]CC1 ZINC000899363594 584204613 /nfs/dbraw/zinc/20/46/13/584204613.db2.gz DWYITGVQJOVJBF-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO O=c1cc(-c2ccncc2)[nH]n1C1CC[NH2+]CC1 ZINC000899363594 584204616 /nfs/dbraw/zinc/20/46/16/584204616.db2.gz DWYITGVQJOVJBF-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO CO[C@@H](C)c1cc(=O)n(C2CC[NH2+]CC2)[nH]1 ZINC000899363142 584204822 /nfs/dbraw/zinc/20/48/22/584204822.db2.gz FMGGJKAOHZUOLL-QMMMGPOBSA-N 1 2 225.292 0.362 20 0 BCADLO C[C@H]1CCc2c1[nH]n(C1CC[NH2+]CC1)c2=O ZINC000899364286 584205349 /nfs/dbraw/zinc/20/53/49/584205349.db2.gz PWYYYPCUDGYVEC-WPRPVWTQSA-N 1 2 221.304 0.983 20 0 BCADLO O=c1c2c([nH]n1[C@@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000899365378 584206052 /nfs/dbraw/zinc/20/60/52/584206052.db2.gz ZGHKBMOQAKEAAN-FBIMIBRVSA-N 1 2 237.303 0.098 20 0 BCADLO c1c(C2CCC2)nnn1CC[NH+]1CCOCC1 ZINC000899746002 584235800 /nfs/dbraw/zinc/23/58/00/584235800.db2.gz ZEFOJUKPRHAOSH-UHFFFAOYSA-N 1 2 236.319 0.878 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000899871202 584244809 /nfs/dbraw/zinc/24/48/09/584244809.db2.gz JAEWTMXPUGWHCO-UWVGGRQHSA-N 1 2 224.333 0.988 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000899871202 584244810 /nfs/dbraw/zinc/24/48/10/584244810.db2.gz JAEWTMXPUGWHCO-UWVGGRQHSA-N 1 2 224.333 0.988 20 0 BCADLO CCn1cc(C[N@@H+]2CC=C[C@@H]2CO)nn1 ZINC000899888594 584247245 /nfs/dbraw/zinc/24/72/45/584247245.db2.gz ODNFAAQSWCUTTL-SNVBAGLBSA-N 1 2 208.265 0.031 20 0 BCADLO CCn1cc(C[N@H+]2CC=C[C@@H]2CO)nn1 ZINC000899888594 584247248 /nfs/dbraw/zinc/24/72/48/584247248.db2.gz ODNFAAQSWCUTTL-SNVBAGLBSA-N 1 2 208.265 0.031 20 0 BCADLO Cc1[nH]nc(Cl)c1C(=O)N1CC[NH+](C)CC1 ZINC000899903926 584250881 /nfs/dbraw/zinc/25/08/81/584250881.db2.gz DBTUYNTYCLXNBD-UHFFFAOYSA-N 1 2 242.710 0.759 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000899908027 584251809 /nfs/dbraw/zinc/25/18/09/584251809.db2.gz RDIDVMZZOZGLGM-DTORHVGOSA-N 1 2 223.276 0.588 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000899921460 584256490 /nfs/dbraw/zinc/25/64/90/584256490.db2.gz XJTAOQFURSXKOZ-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000858587550 588969525 /nfs/dbraw/zinc/96/95/25/588969525.db2.gz OJVSVUDACCHBEI-HTQZYQBOSA-N 1 2 226.280 0.469 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000858587551 588969916 /nfs/dbraw/zinc/96/99/16/588969916.db2.gz OJVSVUDACCHBEI-JGVFFNPUSA-N 1 2 226.280 0.469 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NC1=[NH+]CCS1 ZINC000900005693 584264072 /nfs/dbraw/zinc/26/40/72/584264072.db2.gz GNRVMJSMJIQXOX-ZJELKQJVSA-N 1 2 228.317 0.923 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NC1=[NH+]CCS1 ZINC000900005690 584264191 /nfs/dbraw/zinc/26/41/91/584264191.db2.gz GNRVMJSMJIQXOX-LGYSABEFSA-N 1 2 228.317 0.923 20 0 BCADLO CON(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900074401 584268974 /nfs/dbraw/zinc/26/89/74/584268974.db2.gz YBZYNHCBKOUJFD-NTMALXAHSA-N 1 2 228.292 0.285 20 0 BCADLO CCN(CCOC)C(=O)CNc1cccc[nH+]1 ZINC000900143606 584277442 /nfs/dbraw/zinc/27/74/42/584277442.db2.gz KRKQSEJEWYPWJW-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H](O)C1 ZINC000900147721 584279201 /nfs/dbraw/zinc/27/92/01/584279201.db2.gz URKMKOMSNYNJQL-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1CCO ZINC000900148603 584279258 /nfs/dbraw/zinc/27/92/58/584279258.db2.gz KVCNRXPZUWAUGA-NSHDSACASA-N 1 2 237.303 0.716 20 0 BCADLO CCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000900148369 584279473 /nfs/dbraw/zinc/27/94/73/584279473.db2.gz GOKVXTCOFSWGPQ-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC(O)CC1 ZINC000900150391 584280187 /nfs/dbraw/zinc/28/01/87/584280187.db2.gz IBDYNGYWBANEFZ-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO C[C@H]1C(=O)N(Cc2cn(C)c[nH+]2)C(=O)N1C ZINC000900158200 584280298 /nfs/dbraw/zinc/28/02/98/584280298.db2.gz RDQNXFPZXJACID-ZETCQYMHSA-N 1 2 222.248 0.203 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158874 584280717 /nfs/dbraw/zinc/28/07/17/584280717.db2.gz YCVFZMXESOSHNW-MRVPVSSYSA-N 1 2 222.248 0.251 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000900163787 584281726 /nfs/dbraw/zinc/28/17/26/584281726.db2.gz OELOQXVBXOGTFB-DOGVGXBMSA-N 1 2 249.314 0.701 20 0 BCADLO Cc1[nH+]c2ccccn2c1CN1C(=O)CNC1=O ZINC000900178744 584283002 /nfs/dbraw/zinc/28/30/02/584283002.db2.gz NCSSMOGPUCUVMS-UHFFFAOYSA-N 1 2 244.254 0.695 20 0 BCADLO CC[C@]1(C)NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900156872 584283088 /nfs/dbraw/zinc/28/30/88/584283088.db2.gz DNRHQRLGLRUCDK-NSHDSACASA-N 1 2 236.275 0.641 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000900193834 584284840 /nfs/dbraw/zinc/28/48/40/584284840.db2.gz SCSGRKDJSSRXME-WYGGZMRJSA-N 1 2 237.303 0.717 20 0 BCADLO CCCN(CC(=O)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900315909 584292049 /nfs/dbraw/zinc/29/20/49/584292049.db2.gz LBUMMBXQKSWMAW-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO COCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900398009 584302532 /nfs/dbraw/zinc/30/25/32/584302532.db2.gz DCQIPQGDKWTPAX-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)CCF)CCO1 ZINC000900486269 584316449 /nfs/dbraw/zinc/31/64/49/584316449.db2.gz UPMVUIAHYZBVHU-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)CCF)CCO1 ZINC000900486269 584316451 /nfs/dbraw/zinc/31/64/51/584316451.db2.gz UPMVUIAHYZBVHU-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CCON(CC)C(=O)CNc1cc(C)[nH+]cn1 ZINC000858680169 588974107 /nfs/dbraw/zinc/97/41/07/588974107.db2.gz WDYKMYNLOVRSFH-UHFFFAOYSA-N 1 2 238.291 0.997 20 0 BCADLO C/C(=C/C(=O)N[C@@H]1C[C@H]1C)C[NH+]1CCOCC1 ZINC000900539093 584324062 /nfs/dbraw/zinc/32/40/62/584324062.db2.gz BFGODQYRBSEBHE-PWGYGRHZSA-N 1 2 238.331 0.790 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900615555 584332588 /nfs/dbraw/zinc/33/25/88/584332588.db2.gz BAAXQJKDRPTCQP-XOULXFPDSA-N 1 2 206.245 0.687 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900628975 584333704 /nfs/dbraw/zinc/33/37/04/584333704.db2.gz CZGIIQYZDHOWEJ-RKDXNWHRSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900628974 584333766 /nfs/dbraw/zinc/33/37/66/584333766.db2.gz CZGIIQYZDHOWEJ-IUCAKERBSA-N 1 2 225.292 0.775 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646667 584335328 /nfs/dbraw/zinc/33/53/28/584335328.db2.gz HZMWZWLJIYPHQB-KZUAUGPASA-N 1 2 209.249 0.005 20 0 BCADLO CN(C)c1cccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000900666308 584337694 /nfs/dbraw/zinc/33/76/94/584337694.db2.gz SXTGVNLNUKBQOW-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000900664181 584337949 /nfs/dbraw/zinc/33/79/49/584337949.db2.gz BHHKPONZVMSIGX-MOVJSRMASA-N 1 2 223.276 0.743 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCCCn1cc[nH+]c1 ZINC000900695097 584339001 /nfs/dbraw/zinc/33/90/01/584339001.db2.gz LFDCPAVPTHGGGT-SROOVFNMSA-N 1 2 237.303 0.717 20 0 BCADLO COC(=O)[C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900696520 584339060 /nfs/dbraw/zinc/33/90/60/584339060.db2.gz TWWLJRRRJFBAPQ-QMMMGPOBSA-N 1 2 239.275 0.220 20 0 BCADLO C/C=C/[C@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900786778 584351425 /nfs/dbraw/zinc/35/14/25/584351425.db2.gz MZEGUNZRUIBAFZ-YHROSDCASA-N 1 2 237.303 0.572 20 0 BCADLO COC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900860433 584358494 /nfs/dbraw/zinc/35/84/94/584358494.db2.gz RVLVOGUENUCKBL-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO COC(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900860433 584358497 /nfs/dbraw/zinc/35/84/97/584358497.db2.gz RVLVOGUENUCKBL-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO Cc1nn(C)c(C)c1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900884517 584360597 /nfs/dbraw/zinc/36/05/97/584360597.db2.gz BQYIFURWYYRNFB-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1nn(C)c(C)c1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900884517 584360598 /nfs/dbraw/zinc/36/05/98/584360598.db2.gz BQYIFURWYYRNFB-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900865869 584362670 /nfs/dbraw/zinc/36/26/70/584362670.db2.gz YMTUFRAKWBYDDJ-GXSJLCMTSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900901039 584364261 /nfs/dbraw/zinc/36/42/61/584364261.db2.gz LUWMCTKYBYPXGB-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900901039 584364262 /nfs/dbraw/zinc/36/42/62/584364262.db2.gz LUWMCTKYBYPXGB-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO CO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900910807 584365075 /nfs/dbraw/zinc/36/50/75/584365075.db2.gz NLJXQLXZDOSDOC-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900910807 584365077 /nfs/dbraw/zinc/36/50/77/584365077.db2.gz NLJXQLXZDOSDOC-JTQLQIEISA-N 1 2 225.292 0.739 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901004962 584373818 /nfs/dbraw/zinc/37/38/18/584373818.db2.gz SEXYGFBFSQXYJG-SNVBAGLBSA-N 1 2 223.276 0.182 20 0 BCADLO Cc1[nH]c(CNC(=O)C(C)(C)CO)[nH+]c1C ZINC000900998400 584374798 /nfs/dbraw/zinc/37/47/98/584374798.db2.gz UDRKIODWHIPOMO-UHFFFAOYSA-N 1 2 225.292 0.661 20 0 BCADLO Cc1[nH]c(CNC(=O)C(C)(C)O)[nH+]c1C ZINC000900997733 584374806 /nfs/dbraw/zinc/37/48/06/584374806.db2.gz NUMCRGIEBPWBQT-UHFFFAOYSA-N 1 2 211.265 0.414 20 0 BCADLO CO[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000900995167 584375104 /nfs/dbraw/zinc/37/51/04/584375104.db2.gz VKIFAFXATOZSHX-ZJUUUORDSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1(C)C ZINC000900995167 584375106 /nfs/dbraw/zinc/37/51/06/584375106.db2.gz VKIFAFXATOZSHX-ZJUUUORDSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H](CCO)CNC(=O)CNc1cccc[nH+]1 ZINC000901082914 584382621 /nfs/dbraw/zinc/38/26/21/584382621.db2.gz NAWCPTUAUYBTTM-SNVBAGLBSA-N 1 2 237.303 0.628 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](CO)CC1 ZINC000901093278 584384421 /nfs/dbraw/zinc/38/44/21/584384421.db2.gz GSINRQHSRIWGSG-AOOOYVTPSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[C@@H](CO)CC1 ZINC000901093278 584384423 /nfs/dbraw/zinc/38/44/23/584384423.db2.gz GSINRQHSRIWGSG-AOOOYVTPSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](CO)CC1 ZINC000901095317 584384861 /nfs/dbraw/zinc/38/48/61/584384861.db2.gz GSINRQHSRIWGSG-MGCOHNPYSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[C@H](CO)CC1 ZINC000901095317 584384863 /nfs/dbraw/zinc/38/48/63/584384863.db2.gz GSINRQHSRIWGSG-MGCOHNPYSA-N 1 2 237.303 0.620 20 0 BCADLO C/C=C/[C@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901119896 584386681 /nfs/dbraw/zinc/38/66/81/584386681.db2.gz VTZIXGPUIOPNPH-TZNOJPMFSA-N 1 2 237.303 0.669 20 0 BCADLO COC(=O)C1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000901158523 584388866 /nfs/dbraw/zinc/38/88/66/584388866.db2.gz HDRRFPCCUMXPEP-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO COC(=O)C1(NC(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000901158523 584388867 /nfs/dbraw/zinc/38/88/67/584388867.db2.gz HDRRFPCCUMXPEP-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2ncccc21 ZINC000901138307 584389874 /nfs/dbraw/zinc/38/98/74/584389874.db2.gz MQEIFXUSHZVDLI-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N1CCc2ncccc21 ZINC000901138307 584389875 /nfs/dbraw/zinc/38/98/75/584389875.db2.gz MQEIFXUSHZVDLI-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO CS[C@H](C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901175059 584395533 /nfs/dbraw/zinc/39/55/33/584395533.db2.gz ARSHSGOWFMDFEN-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901191084 584392584 /nfs/dbraw/zinc/39/25/84/584392584.db2.gz ZFCFBHMMOREZIP-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO CS[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901175059 584395531 /nfs/dbraw/zinc/39/55/31/584395531.db2.gz ARSHSGOWFMDFEN-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO COC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000901176754 584396190 /nfs/dbraw/zinc/39/61/90/584396190.db2.gz KMJUQGKRJWPJBU-SNVBAGLBSA-N 1 2 223.276 0.493 20 0 BCADLO COC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901176754 584396193 /nfs/dbraw/zinc/39/61/93/584396193.db2.gz KMJUQGKRJWPJBU-SNVBAGLBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000901211367 584400668 /nfs/dbraw/zinc/40/06/68/584400668.db2.gz KDDVUKCSLTWOQQ-JTQLQIEISA-N 1 2 209.249 0.247 20 0 BCADLO C[C@]1(NC(=O)Cc2c[nH+]c[nH]2)CCOC1 ZINC000901211367 584400669 /nfs/dbraw/zinc/40/06/69/584400669.db2.gz KDDVUKCSLTWOQQ-JTQLQIEISA-N 1 2 209.249 0.247 20 0 BCADLO C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000901211369 584400695 /nfs/dbraw/zinc/40/06/95/584400695.db2.gz KDDVUKCSLTWOQQ-SNVBAGLBSA-N 1 2 209.249 0.247 20 0 BCADLO C[C@@]1(NC(=O)Cc2c[nH+]c[nH]2)CCOC1 ZINC000901211369 584400698 /nfs/dbraw/zinc/40/06/98/584400698.db2.gz KDDVUKCSLTWOQQ-SNVBAGLBSA-N 1 2 209.249 0.247 20 0 BCADLO CCC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901235380 584404768 /nfs/dbraw/zinc/40/47/68/584404768.db2.gz DAZWLIDWUXKETN-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000901239495 584406110 /nfs/dbraw/zinc/40/61/10/584406110.db2.gz DQJQCQUBIQYQLG-SCZZXKLOSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCCCCCO ZINC000901328161 584423666 /nfs/dbraw/zinc/42/36/66/584423666.db2.gz WESXTIMRHVWMAX-UHFFFAOYSA-N 1 2 225.292 0.621 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCCCCCO ZINC000901328161 584423669 /nfs/dbraw/zinc/42/36/69/584423669.db2.gz WESXTIMRHVWMAX-UHFFFAOYSA-N 1 2 225.292 0.621 20 0 BCADLO COC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901323226 584430305 /nfs/dbraw/zinc/43/03/05/584430305.db2.gz QDHLMBOQQBTISY-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@](C)(CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901344946 584434028 /nfs/dbraw/zinc/43/40/28/584434028.db2.gz AUTXJWIONLJYJX-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@](C)(CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901344946 584434030 /nfs/dbraw/zinc/43/40/30/584434030.db2.gz AUTXJWIONLJYJX-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)OCCF)C1 ZINC000858927086 588985607 /nfs/dbraw/zinc/98/56/07/588985607.db2.gz KWVOTLQKLZNQNK-MRVPVSSYSA-N 1 2 220.244 0.013 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)OCCF)C1 ZINC000858927086 588985609 /nfs/dbraw/zinc/98/56/09/588985609.db2.gz KWVOTLQKLZNQNK-MRVPVSSYSA-N 1 2 220.244 0.013 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@H](C)[NH+]1CCOCC1 ZINC000858949411 588986832 /nfs/dbraw/zinc/98/68/32/588986832.db2.gz PONTZINBUKGLOE-ZJUUUORDSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@@H](C)[NH+]1CCOCC1 ZINC000858949408 588986910 /nfs/dbraw/zinc/98/69/10/588986910.db2.gz PONTZINBUKGLOE-NXEZZACHSA-N 1 2 248.298 0.791 20 0 BCADLO Cn1cncc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000901988798 584510305 /nfs/dbraw/zinc/51/03/05/584510305.db2.gz VMCVEKIMCUZRPT-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO Cn1cncc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000901988798 584510306 /nfs/dbraw/zinc/51/03/06/584510306.db2.gz VMCVEKIMCUZRPT-SECBINFHSA-N 1 2 249.274 0.473 20 0 BCADLO Cn1cncc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000901988800 584510502 /nfs/dbraw/zinc/51/05/02/584510502.db2.gz VMCVEKIMCUZRPT-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO Cn1cncc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000901988800 584510505 /nfs/dbraw/zinc/51/05/05/584510505.db2.gz VMCVEKIMCUZRPT-VIFPVBQESA-N 1 2 249.274 0.473 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(CC)cn1 ZINC000902038217 584514766 /nfs/dbraw/zinc/51/47/66/584514766.db2.gz OXYGJGQOVCPLJH-SECBINFHSA-N 1 2 224.308 0.517 20 0 BCADLO COCC[N@H+](C)CN1C[C@]2(CCCOC2)C1=O ZINC000902076909 584520743 /nfs/dbraw/zinc/52/07/43/584520743.db2.gz CCCPZCWCQVNMGZ-LBPRGKRZSA-N 1 2 242.319 0.161 20 0 BCADLO COCC[N@@H+](C)CN1C[C@]2(CCCOC2)C1=O ZINC000902076909 584520744 /nfs/dbraw/zinc/52/07/44/584520744.db2.gz CCCPZCWCQVNMGZ-LBPRGKRZSA-N 1 2 242.319 0.161 20 0 BCADLO CCn1c[nH+]cc1CNc1nnc(C)n1C ZINC000902066891 584522952 /nfs/dbraw/zinc/52/29/52/584522952.db2.gz UDXZHAPHBYVUIM-UHFFFAOYSA-N 1 2 220.280 0.952 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902138977 584526178 /nfs/dbraw/zinc/52/61/78/584526178.db2.gz NDWJWUGJXOTAJD-DCAQKATOSA-N 1 2 224.304 0.533 20 0 BCADLO CC[C@H]1COCC[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902138977 584526180 /nfs/dbraw/zinc/52/61/80/584526180.db2.gz NDWJWUGJXOTAJD-DCAQKATOSA-N 1 2 224.304 0.533 20 0 BCADLO C[N@H+](CCn1cccn1)CN1CCOC1=O ZINC000902127686 584529177 /nfs/dbraw/zinc/52/91/77/584529177.db2.gz VTBWOFCGHNGRNJ-UHFFFAOYSA-N 1 2 224.264 0.225 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1CCOC1=O ZINC000902127686 584529180 /nfs/dbraw/zinc/52/91/80/584529180.db2.gz VTBWOFCGHNGRNJ-UHFFFAOYSA-N 1 2 224.264 0.225 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CCOC1=O ZINC000902279962 584547239 /nfs/dbraw/zinc/54/72/39/584547239.db2.gz PBPFOLCJGFCPLT-MRVPVSSYSA-N 1 2 200.238 0.117 20 0 BCADLO C[C@@H]1[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCOC1(C)C ZINC000902186732 584533846 /nfs/dbraw/zinc/53/38/46/584533846.db2.gz XABTZSLVINQRKL-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@@H]1[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCOC1(C)C ZINC000902186732 584533848 /nfs/dbraw/zinc/53/38/48/584533848.db2.gz XABTZSLVINQRKL-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO CC(C)[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902212214 584535416 /nfs/dbraw/zinc/53/54/16/584535416.db2.gz BANUHTPFHITJIV-SDDRHHMPSA-N 1 2 238.331 0.779 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902212214 584535417 /nfs/dbraw/zinc/53/54/17/584535417.db2.gz BANUHTPFHITJIV-SDDRHHMPSA-N 1 2 238.331 0.779 20 0 BCADLO COCCO[C@@H]1CC[N@H+](CN2CCOC2=O)C1 ZINC000902230352 584541676 /nfs/dbraw/zinc/54/16/76/584541676.db2.gz GOECATNINAPMKG-SNVBAGLBSA-N 1 2 244.291 0.133 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](CN2CCOC2=O)C1 ZINC000902230352 584541678 /nfs/dbraw/zinc/54/16/78/584541678.db2.gz GOECATNINAPMKG-SNVBAGLBSA-N 1 2 244.291 0.133 20 0 BCADLO Nc1ccc(CN2C(=O)NC3(CCC3)C2=O)c[nH+]1 ZINC000902233980 584542238 /nfs/dbraw/zinc/54/22/38/584542238.db2.gz LUDNNPCGIYVUAK-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO CC(=O)NOCc1ccc(N(C)C)[nH+]c1 ZINC000902231890 584542418 /nfs/dbraw/zinc/54/24/18/584542418.db2.gz ZQNABLNKLOEYRE-UHFFFAOYSA-N 1 2 209.249 0.715 20 0 BCADLO CC[C@@H]1C[C@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000902252840 584543725 /nfs/dbraw/zinc/54/37/25/584543725.db2.gz MKRKSAVOLZRRNS-MNOVXSKESA-N 1 2 241.335 0.863 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CCOC1=O ZINC000902279962 584547238 /nfs/dbraw/zinc/54/72/38/584547238.db2.gz PBPFOLCJGFCPLT-MRVPVSSYSA-N 1 2 200.238 0.117 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CCOC1=O ZINC000902279964 584547369 /nfs/dbraw/zinc/54/73/69/584547369.db2.gz PBPFOLCJGFCPLT-QMMMGPOBSA-N 1 2 200.238 0.117 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CCOC1=O ZINC000902279964 584547370 /nfs/dbraw/zinc/54/73/70/584547370.db2.gz PBPFOLCJGFCPLT-QMMMGPOBSA-N 1 2 200.238 0.117 20 0 BCADLO C[C@@H]1C(=O)N(CCCc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000902274102 584550539 /nfs/dbraw/zinc/55/05/39/584550539.db2.gz SOFQTGGSCXEKLN-UWVGGRQHSA-N 1 2 249.314 0.994 20 0 BCADLO CN(C)c1ccc(Cn2nccc2C(N)=O)c[nH+]1 ZINC000902366845 584565823 /nfs/dbraw/zinc/56/58/23/584565823.db2.gz HCHAJAQNEFSKOP-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO NC(=[NH+]OCCOC1CC1)[C@@H]1CCCO1 ZINC000902381738 584576870 /nfs/dbraw/zinc/57/68/70/584576870.db2.gz NOOBQJHJVIIUHX-VIFPVBQESA-N 1 2 214.265 0.843 20 0 BCADLO Cc1cncc(=O)n1CCCc1c[nH+]cn1C ZINC000902397873 584586169 /nfs/dbraw/zinc/58/61/69/584586169.db2.gz PHKXNAWTOMCITN-UHFFFAOYSA-N 1 2 232.287 0.918 20 0 BCADLO CCn1cnc(C[NH2+]CCc2nnc(C)[nH]2)c1 ZINC000902447669 584604656 /nfs/dbraw/zinc/60/46/56/584604656.db2.gz UWWRBSWXIXZXED-UHFFFAOYSA-N 1 2 234.307 0.662 20 0 BCADLO Nc1ccc(Cn2cc3c(n2)CC[C@H](O)C3)c[nH+]1 ZINC000902506127 584621842 /nfs/dbraw/zinc/62/18/42/584621842.db2.gz OLLDXFHNOAFCRO-NSHDSACASA-N 1 2 244.298 0.758 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000902536344 584628312 /nfs/dbraw/zinc/62/83/12/584628312.db2.gz IDHBQYPGTSMRKB-LLVKDONJSA-N 1 2 240.303 0.897 20 0 BCADLO O=C1OCCN1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000902536344 584628313 /nfs/dbraw/zinc/62/83/13/584628313.db2.gz IDHBQYPGTSMRKB-LLVKDONJSA-N 1 2 240.303 0.897 20 0 BCADLO CC1(C)CNC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902521337 584631485 /nfs/dbraw/zinc/63/14/85/584631485.db2.gz RUSAGBXAFHYMBI-UHFFFAOYSA-N 1 2 248.286 0.742 20 0 BCADLO CCn1c[nH+]c2c1CCN(Cn1cnnc1)C2 ZINC000902550919 584635238 /nfs/dbraw/zinc/63/52/38/584635238.db2.gz MJXMRSHWPCTHRQ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cn(CC)cn1 ZINC000902605764 584642371 /nfs/dbraw/zinc/64/23/71/584642371.db2.gz UFGISRWQFITDSP-UHFFFAOYSA-N 1 2 240.307 0.403 20 0 BCADLO Cn1c[nH+]cc1CCCn1c(=O)cccc1CO ZINC000902617044 584644069 /nfs/dbraw/zinc/64/40/69/584644069.db2.gz JJLRHJAZFWGFKD-UHFFFAOYSA-N 1 2 247.298 0.707 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CC[C@@H]1CO ZINC000902630381 584646510 /nfs/dbraw/zinc/64/65/10/584646510.db2.gz ALBGUMIXVWUCGA-GHMZBOCLSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902630381 584646511 /nfs/dbraw/zinc/64/65/11/584646511.db2.gz ALBGUMIXVWUCGA-GHMZBOCLSA-N 1 2 224.304 0.269 20 0 BCADLO CCOC(=O)c1cnn(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000902630688 584647127 /nfs/dbraw/zinc/64/71/27/584647127.db2.gz CFXSJPBVEUSTAF-SNVBAGLBSA-N 1 2 239.275 0.084 20 0 BCADLO CCOC(=O)c1cnn(C[N@H+]2CC[C@@H]2CO)c1 ZINC000902630688 584647129 /nfs/dbraw/zinc/64/71/29/584647129.db2.gz CFXSJPBVEUSTAF-SNVBAGLBSA-N 1 2 239.275 0.084 20 0 BCADLO CC1(C)SC(=O)N(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902633087 584647543 /nfs/dbraw/zinc/64/75/43/584647543.db2.gz QQWPGFKQEDPFEX-ZETCQYMHSA-N 1 2 244.316 0.485 20 0 BCADLO CC1(C)SC(=O)N(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902633087 584647545 /nfs/dbraw/zinc/64/75/45/584647545.db2.gz QQWPGFKQEDPFEX-ZETCQYMHSA-N 1 2 244.316 0.485 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@H+]1CC[C@@H]1CO ZINC000902634474 584648235 /nfs/dbraw/zinc/64/82/35/584648235.db2.gz KGAWMHBTEZOVHH-HBNTYKKESA-N 1 2 224.304 0.269 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@@H]1CO ZINC000902634474 584648236 /nfs/dbraw/zinc/64/82/36/584648236.db2.gz KGAWMHBTEZOVHH-HBNTYKKESA-N 1 2 224.304 0.269 20 0 BCADLO CC1(C)CCN(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902634875 584648241 /nfs/dbraw/zinc/64/82/41/584648241.db2.gz UODNELLKFVDGGJ-VIFPVBQESA-N 1 2 212.293 0.269 20 0 BCADLO CC1(C)CCN(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902634875 584648242 /nfs/dbraw/zinc/64/82/42/584648242.db2.gz UODNELLKFVDGGJ-VIFPVBQESA-N 1 2 212.293 0.269 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@H]1CO ZINC000902634475 584648274 /nfs/dbraw/zinc/64/82/74/584648274.db2.gz KGAWMHBTEZOVHH-OUAUKWLOSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@H]1CO ZINC000902634475 584648276 /nfs/dbraw/zinc/64/82/76/584648276.db2.gz KGAWMHBTEZOVHH-OUAUKWLOSA-N 1 2 224.304 0.269 20 0 BCADLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902634706 584648651 /nfs/dbraw/zinc/64/86/51/584648651.db2.gz PPJDUGSHLLXNIH-QWRGUYRKSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902634706 584648652 /nfs/dbraw/zinc/64/86/52/584648652.db2.gz PPJDUGSHLLXNIH-QWRGUYRKSA-N 1 2 226.320 0.515 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(=O)o1 ZINC000902654781 584649981 /nfs/dbraw/zinc/64/99/81/584649981.db2.gz ZTNKWFHXNQTBIP-AOOOYVTPSA-N 1 2 223.276 0.834 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(=O)o1 ZINC000902654781 584649983 /nfs/dbraw/zinc/64/99/83/584649983.db2.gz ZTNKWFHXNQTBIP-AOOOYVTPSA-N 1 2 223.276 0.834 20 0 BCADLO Cn1c[nH+]cc1Cn1nnc(C(F)(F)F)n1 ZINC000902643793 584650136 /nfs/dbraw/zinc/65/01/36/584650136.db2.gz TVBBFOGHQIPFKX-UHFFFAOYSA-N 1 2 232.169 0.474 20 0 BCADLO CCc1noc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000902696436 584654252 /nfs/dbraw/zinc/65/42/52/584654252.db2.gz KHZRKAWNHBNCSQ-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO CCc1noc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000902696436 584654253 /nfs/dbraw/zinc/65/42/53/584654253.db2.gz KHZRKAWNHBNCSQ-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO CCn1cc(CO[NH+]=C(N)[C@@H](C)OC)nn1 ZINC000902718106 584657744 /nfs/dbraw/zinc/65/77/44/584657744.db2.gz ZCOWNHPWQHJYDY-SSDOTTSWSA-N 1 2 227.268 0.331 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCO[C@H]1CCOC1 ZINC000902701023 584658311 /nfs/dbraw/zinc/65/83/11/584658311.db2.gz DLZYPHWNWSLHKZ-JTQLQIEISA-N 1 2 246.307 0.715 20 0 BCADLO Cc1cc(C)nc(CO[NH+]=C(N)CO)c1 ZINC000902763560 584663846 /nfs/dbraw/zinc/66/38/46/584663846.db2.gz HSPUSGYCRVEPQD-UHFFFAOYSA-N 1 2 209.249 0.689 20 0 BCADLO CNC(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902779902 584669791 /nfs/dbraw/zinc/66/97/91/584669791.db2.gz JMLDKXGOHHXEPV-UHFFFAOYSA-N 1 2 219.244 0.698 20 0 BCADLO O=C(CCO)NCCCCNc1cccc[nH+]1 ZINC000902839577 584679809 /nfs/dbraw/zinc/67/98/09/584679809.db2.gz HGPILFXVKPYUOP-UHFFFAOYSA-N 1 2 237.303 0.772 20 0 BCADLO C[C@H]1CCS(=O)(=O)N1Cc1ccc(N)[nH+]c1 ZINC000902851084 584682194 /nfs/dbraw/zinc/68/21/94/584682194.db2.gz KHCHKRAYZFNJHG-QMMMGPOBSA-N 1 2 241.316 0.588 20 0 BCADLO Cc1cccn2cc(CCNC(=O)CCO)[nH+]c12 ZINC000902887674 584689718 /nfs/dbraw/zinc/68/97/18/584689718.db2.gz IDUKOEYDGHIFGO-UHFFFAOYSA-N 1 2 247.298 0.684 20 0 BCADLO O=C(CCO)NCc1ccn2cc[nH+]c2c1 ZINC000902902897 584694009 /nfs/dbraw/zinc/69/40/09/584694009.db2.gz YCHACQDHXKVDTB-UHFFFAOYSA-N 1 2 219.244 0.333 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)OC1COC1 ZINC000902923769 584696918 /nfs/dbraw/zinc/69/69/18/584696918.db2.gz OHLNHXCUIKUPHG-MRVPVSSYSA-N 1 2 237.259 0.323 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C ZINC000902940491 584701281 /nfs/dbraw/zinc/70/12/81/584701281.db2.gz RARWNEYOACISIA-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC1COC1 ZINC000902953552 584705109 /nfs/dbraw/zinc/70/51/09/584705109.db2.gz YHKZQODSHXJRQA-UHFFFAOYSA-N 1 2 211.221 0.377 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC1COC1 ZINC000902953552 584705110 /nfs/dbraw/zinc/70/51/10/584705110.db2.gz YHKZQODSHXJRQA-UHFFFAOYSA-N 1 2 211.221 0.377 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902998141 584714830 /nfs/dbraw/zinc/71/48/30/584714830.db2.gz HGIBVAOUFOQREX-IUCAKERBSA-N 1 2 200.257 0.651 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902998141 584714831 /nfs/dbraw/zinc/71/48/31/584714831.db2.gz HGIBVAOUFOQREX-IUCAKERBSA-N 1 2 200.257 0.651 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCC1 ZINC000903002067 584715929 /nfs/dbraw/zinc/71/59/29/584715929.db2.gz VKHKTXYWMLGXSX-SECBINFHSA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCC1 ZINC000903002067 584715930 /nfs/dbraw/zinc/71/59/30/584715930.db2.gz VKHKTXYWMLGXSX-SECBINFHSA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCOCC1 ZINC000903002487 584716261 /nfs/dbraw/zinc/71/62/61/584716261.db2.gz BROYBKSWUZAMDT-JTQLQIEISA-N 1 2 230.283 0.279 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCOCC1 ZINC000903002487 584716262 /nfs/dbraw/zinc/71/62/62/584716262.db2.gz BROYBKSWUZAMDT-JTQLQIEISA-N 1 2 230.283 0.279 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000903297741 584743166 /nfs/dbraw/zinc/74/31/66/584743166.db2.gz WTOAJVOOBIGLPO-FXBDTBDDSA-N 1 2 241.291 0.833 20 0 BCADLO Cn1ccc(CN2CC=CC[NH2+]2)cc1=O ZINC000903488717 584780376 /nfs/dbraw/zinc/78/03/76/584780376.db2.gz SYRCVWRTIMWVPG-UHFFFAOYSA-N 1 2 205.261 0.262 20 0 BCADLO CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903920001 584822892 /nfs/dbraw/zinc/82/28/92/584822892.db2.gz RCQUTLCCZRFZCQ-HTQZYQBOSA-N 1 2 223.311 0.932 20 0 BCADLO CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903920004 584823103 /nfs/dbraw/zinc/82/31/03/584823103.db2.gz RCQUTLCCZRFZCQ-YUMQZZPRSA-N 1 2 223.311 0.932 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@]1(C(=O)[O-])CCSC1 ZINC000904007384 584837082 /nfs/dbraw/zinc/83/70/82/584837082.db2.gz GRJDXICBFVUCHN-SNVBAGLBSA-N 1 2 241.316 0.470 20 0 BCADLO Nc1ccc(C[N@@H+]2CCC3(C2)OCCO3)nn1 ZINC000904316435 584863271 /nfs/dbraw/zinc/86/32/71/584863271.db2.gz PBHXHOYPFWEKAE-UHFFFAOYSA-N 1 2 236.275 0.008 20 0 BCADLO Nc1ccc(C[N@H+]2CCC3(C2)OCCO3)nn1 ZINC000904316435 584863272 /nfs/dbraw/zinc/86/32/72/584863272.db2.gz PBHXHOYPFWEKAE-UHFFFAOYSA-N 1 2 236.275 0.008 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccc(N)nn2)[C@@H](C)C1 ZINC000904321828 584864530 /nfs/dbraw/zinc/86/45/30/584864530.db2.gz HNXSKGVPLQXEFP-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccc(N)nn2)[C@@H](C)C1 ZINC000904321828 584864531 /nfs/dbraw/zinc/86/45/31/584864531.db2.gz HNXSKGVPLQXEFP-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO Cc1cc(NC(=O)NCCCON)cc[nH+]1 ZINC000904397594 584880051 /nfs/dbraw/zinc/88/00/51/584880051.db2.gz GJPVZIUCNMINJV-UHFFFAOYSA-N 1 2 224.264 0.214 20 0 BCADLO COCc1ccc(C[NH2+][C@@H]2CNOC2)o1 ZINC000904423721 584880546 /nfs/dbraw/zinc/88/05/46/584880546.db2.gz GIKPSTFAAMRPLM-MRVPVSSYSA-N 1 2 212.249 0.419 20 0 BCADLO Cn1ncc(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000904424631 584880974 /nfs/dbraw/zinc/88/09/74/584880974.db2.gz WWFJMBJNDPSAKR-LURJTMIESA-N 1 2 216.672 0.067 20 0 BCADLO c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CNOC1 ZINC000904425424 584881411 /nfs/dbraw/zinc/88/14/11/584881411.db2.gz LZSFEMFRVYFVFJ-LBPRGKRZSA-N 1 2 244.298 0.865 20 0 BCADLO Fc1cccn2cc(C[NH2+][C@H]3CNOC3)nc12 ZINC000904425612 584881708 /nfs/dbraw/zinc/88/17/08/584881708.db2.gz SYPDIYAGANOQFU-VIFPVBQESA-N 1 2 236.250 0.466 20 0 BCADLO Clc1ncccc1C[NH2+][C@H]1CNOC1 ZINC000904426796 584881767 /nfs/dbraw/zinc/88/17/67/584881767.db2.gz IZSFWMLQAWSYCM-QMMMGPOBSA-N 1 2 213.668 0.728 20 0 BCADLO CN(CCF)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641515774 584889242 /nfs/dbraw/zinc/88/92/42/584889242.db2.gz YIBHVTUKNMPFEW-UHFFFAOYSA-N 1 2 235.284 0.114 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cscn1 ZINC000829106287 584905608 /nfs/dbraw/zinc/90/56/08/584905608.db2.gz HQQLNSDCIWVWAR-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cscn1 ZINC000829106287 584905609 /nfs/dbraw/zinc/90/56/09/584905609.db2.gz HQQLNSDCIWVWAR-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO COC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(N)=O ZINC000758302386 584905655 /nfs/dbraw/zinc/90/56/55/584905655.db2.gz IBVDRPBWINXTMS-MRVPVSSYSA-N 1 2 249.274 0.179 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cc[n+]([O-])cc1 ZINC000730592996 584913005 /nfs/dbraw/zinc/91/30/05/584913005.db2.gz DZSQVOBHEBXGDJ-UHFFFAOYSA-N 1 2 229.239 0.698 20 0 BCADLO Cc1c(C(=O)OCCn2cc[nH+]c2)cnn1C ZINC000763111565 584919992 /nfs/dbraw/zinc/91/99/92/584919992.db2.gz AADROLJYCIXLDZ-UHFFFAOYSA-N 1 2 234.259 0.782 20 0 BCADLO COC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907999 584931088 /nfs/dbraw/zinc/93/10/88/584931088.db2.gz OQIOQCDGUUHMQG-UHFFFAOYSA-N 1 2 234.211 0.664 20 0 BCADLO CO[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000788046791 584938869 /nfs/dbraw/zinc/93/88/69/584938869.db2.gz KKRCQAUGDGBDDJ-MRVPVSSYSA-N 1 2 212.249 0.541 20 0 BCADLO COc1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000733956174 584955311 /nfs/dbraw/zinc/95/53/11/584955311.db2.gz WUGPWIGZJPDPMK-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@H]1CCN(C)C1=O ZINC000734834595 584969011 /nfs/dbraw/zinc/96/90/11/584969011.db2.gz YGDSJGGMPKMNLO-QMMMGPOBSA-N 1 2 229.280 0.141 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CCOCC1 ZINC000788079030 585010068 /nfs/dbraw/zinc/01/00/68/585010068.db2.gz AOAKNGZSIKWVAT-LLVKDONJSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CCOCC1 ZINC000788079030 585010069 /nfs/dbraw/zinc/01/00/69/585010069.db2.gz AOAKNGZSIKWVAT-LLVKDONJSA-N 1 2 245.294 1.000 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC(CF)CF)c1 ZINC000820974229 585015138 /nfs/dbraw/zinc/01/51/38/585015138.db2.gz ADMRNKACAJREFC-NSCUHMNNSA-N 1 2 229.230 0.857 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccc(C)n1 ZINC000736944830 585019862 /nfs/dbraw/zinc/01/98/62/585019862.db2.gz LXCWJZHVKKINHH-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccc(C)n1 ZINC000736944830 585019863 /nfs/dbraw/zinc/01/98/63/585019863.db2.gz LXCWJZHVKKINHH-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO COC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736966618 585020710 /nfs/dbraw/zinc/02/07/10/585020710.db2.gz WDMPMTRSTDZLCF-UHFFFAOYSA-N 1 2 245.286 0.697 20 0 BCADLO CCO[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788079977 585022344 /nfs/dbraw/zinc/02/23/44/585022344.db2.gz ICEYJVPFFLMDDV-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO CCO[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788079977 585022345 /nfs/dbraw/zinc/02/23/45/585022345.db2.gz ICEYJVPFFLMDDV-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890110790 585023936 /nfs/dbraw/zinc/02/39/36/585023936.db2.gz VHHSKXYCVTWLPL-LLVKDONJSA-N 1 2 225.292 0.587 20 0 BCADLO COC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113839 585024037 /nfs/dbraw/zinc/02/40/37/585024037.db2.gz QTQNONBKFJCQPD-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CC(=O)N1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000885944448 585031170 /nfs/dbraw/zinc/03/11/70/585031170.db2.gz PZAGQMQVLADEFN-SNVBAGLBSA-N 1 2 236.262 0.167 20 0 BCADLO Cn1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cn1 ZINC000788084532 585038775 /nfs/dbraw/zinc/03/87/75/585038775.db2.gz SBCDXXXLQGSULT-JTQLQIEISA-N 1 2 241.266 0.621 20 0 BCADLO Cn1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cn1 ZINC000788084532 585038776 /nfs/dbraw/zinc/03/87/76/585038776.db2.gz SBCDXXXLQGSULT-JTQLQIEISA-N 1 2 241.266 0.621 20 0 BCADLO COC/C=C/C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000866981736 585046953 /nfs/dbraw/zinc/04/69/53/585046953.db2.gz LYHDTLUXTBDBGB-PGLGOXFNSA-N 1 2 249.314 0.939 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H](O)C1CCC1 ZINC000838310542 585052723 /nfs/dbraw/zinc/05/27/23/585052723.db2.gz HSOWGRPFDHUDDD-LLVKDONJSA-N 1 2 238.287 0.667 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000838910088 585077813 /nfs/dbraw/zinc/07/78/13/585077813.db2.gz ZQBUUBFOMCHIOW-CMPLNLGQSA-N 1 2 227.304 0.689 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)C1CC1 ZINC000838898850 585079771 /nfs/dbraw/zinc/07/97/71/585079771.db2.gz XZSAVAYFSWENEV-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)C1CC1 ZINC000838898850 585079772 /nfs/dbraw/zinc/07/97/72/585079772.db2.gz XZSAVAYFSWENEV-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H](O)C1CC1 ZINC000838958357 585080923 /nfs/dbraw/zinc/08/09/23/585080923.db2.gz JNHXGHFNNRWHCZ-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H](O)C1CC1 ZINC000838958357 585080924 /nfs/dbraw/zinc/08/09/24/585080924.db2.gz JNHXGHFNNRWHCZ-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)C ZINC000838929623 585081444 /nfs/dbraw/zinc/08/14/44/585081444.db2.gz ZSOLGZYJIDEURU-UWVGGRQHSA-N 1 2 215.293 0.545 20 0 BCADLO CCn1ncc(C[N@H+](C)C2CC(O)C2)n1 ZINC000839011055 585086886 /nfs/dbraw/zinc/08/68/86/585086886.db2.gz GEZFVEILUIVLFP-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000839011055 585086887 /nfs/dbraw/zinc/08/68/87/585086887.db2.gz GEZFVEILUIVLFP-UHFFFAOYSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[NH+]2CCC(C)(CO)CC2)n1 ZINC000839010801 585086942 /nfs/dbraw/zinc/08/69/42/585086942.db2.gz BZKZEHUOFAKEGC-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO Cc1n[nH]cc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839132146 585094125 /nfs/dbraw/zinc/09/41/25/585094125.db2.gz AUWAPWBVHZOELK-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000839169337 585095979 /nfs/dbraw/zinc/09/59/79/585095979.db2.gz HLEDVFFFYFBCLX-HBNTYKKESA-N 1 2 245.319 0.003 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000839169337 585095980 /nfs/dbraw/zinc/09/59/80/585095980.db2.gz HLEDVFFFYFBCLX-HBNTYKKESA-N 1 2 245.319 0.003 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839190948 585097254 /nfs/dbraw/zinc/09/72/54/585097254.db2.gz LLASVCIOFIZTKC-PWSUYJOCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839190948 585097255 /nfs/dbraw/zinc/09/72/55/585097255.db2.gz LLASVCIOFIZTKC-PWSUYJOCSA-N 1 2 236.319 0.909 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CC2(Cl)Cl)CC1=O ZINC000741054854 585109960 /nfs/dbraw/zinc/10/99/60/585109960.db2.gz YRBGSWKMPZGMBU-ZETCQYMHSA-N 1 2 237.130 0.954 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)CC1=O ZINC000741054854 585109961 /nfs/dbraw/zinc/10/99/61/585109961.db2.gz YRBGSWKMPZGMBU-ZETCQYMHSA-N 1 2 237.130 0.954 20 0 BCADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC000741145695 585110296 /nfs/dbraw/zinc/11/02/96/585110296.db2.gz ZRSDUMQLFQGFDC-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC000741145695 585110297 /nfs/dbraw/zinc/11/02/97/585110297.db2.gz ZRSDUMQLFQGFDC-NXEZZACHSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC000741145696 585110447 /nfs/dbraw/zinc/11/04/47/585110447.db2.gz ZRSDUMQLFQGFDC-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC000741145696 585110448 /nfs/dbraw/zinc/11/04/48/585110448.db2.gz ZRSDUMQLFQGFDC-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H](CCO)C1CC1 ZINC000741241752 585111503 /nfs/dbraw/zinc/11/15/03/585111503.db2.gz KUYZZXAYIJCPHN-SNVBAGLBSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000741784263 585117787 /nfs/dbraw/zinc/11/77/87/585117787.db2.gz ICDAQCXERYFMOT-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1ncc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000741784263 585117788 /nfs/dbraw/zinc/11/77/88/585117788.db2.gz ICDAQCXERYFMOT-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000741774591 585118348 /nfs/dbraw/zinc/11/83/48/585118348.db2.gz HGLGLBRPUWOEHX-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000741774591 585118349 /nfs/dbraw/zinc/11/83/49/585118349.db2.gz HGLGLBRPUWOEHX-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO CCOCCCO[NH+]=C(N)CN1CCOCC1 ZINC000742359261 585124676 /nfs/dbraw/zinc/12/46/76/585124676.db2.gz VLRUACDKBOBGLT-UHFFFAOYSA-N 1 2 245.323 0.244 20 0 BCADLO CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000742364032 585124789 /nfs/dbraw/zinc/12/47/89/585124789.db2.gz UTBSWQYHTZGACP-MRVPVSSYSA-N 1 2 231.296 0.292 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncccn1 ZINC000743307450 585135158 /nfs/dbraw/zinc/13/51/58/585135158.db2.gz SZKLIIZHMUYWFH-SECBINFHSA-N 1 2 231.259 0.492 20 0 BCADLO O=C(OCCCO)c1ccc2[nH+]ccn2c1 ZINC000744997975 585154988 /nfs/dbraw/zinc/15/49/88/585154988.db2.gz YGKYTFLGVGINEN-UHFFFAOYSA-N 1 2 220.228 0.874 20 0 BCADLO CC(C)[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745078414 585156189 /nfs/dbraw/zinc/15/61/89/585156189.db2.gz DPSDZLZTGRWEMO-ZJUUUORDSA-N 1 2 242.319 0.524 20 0 BCADLO CC(C)[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC000745078414 585156190 /nfs/dbraw/zinc/15/61/90/585156190.db2.gz DPSDZLZTGRWEMO-ZJUUUORDSA-N 1 2 242.319 0.524 20 0 BCADLO C[N@H+](Cc1ccnc(F)c1)[C@@H]1CCNC1=O ZINC000859209464 589019524 /nfs/dbraw/zinc/01/95/24/589019524.db2.gz FHXLWLNZYDVZHM-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccnc(F)c1)[C@@H]1CCNC1=O ZINC000859209464 589019525 /nfs/dbraw/zinc/01/95/25/589019525.db2.gz FHXLWLNZYDVZHM-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO O=c1sccn1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000746615931 585170783 /nfs/dbraw/zinc/17/07/83/585170783.db2.gz RHZZFJWBDFEHMX-NSHDSACASA-N 1 2 240.328 0.980 20 0 BCADLO O=c1sccn1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000746615931 585170784 /nfs/dbraw/zinc/17/07/84/585170784.db2.gz RHZZFJWBDFEHMX-NSHDSACASA-N 1 2 240.328 0.980 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000746621506 585171354 /nfs/dbraw/zinc/17/13/54/585171354.db2.gz SZNPKOSLCJWPJI-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000746621506 585171355 /nfs/dbraw/zinc/17/13/55/585171355.db2.gz SZNPKOSLCJWPJI-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[C@H](CNC(=O)c1ncccn1)Cn1cc[nH+]c1 ZINC000747401210 585178621 /nfs/dbraw/zinc/17/86/21/585178621.db2.gz SXKFGHUGCZPCAY-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](OC(C)=O)C1 ZINC000747763130 585183869 /nfs/dbraw/zinc/18/38/69/585183869.db2.gz MBBFEQTVLINMJT-JTQLQIEISA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](OC(C)=O)C1 ZINC000747763130 585183870 /nfs/dbraw/zinc/18/38/70/585183870.db2.gz MBBFEQTVLINMJT-JTQLQIEISA-N 1 2 229.276 0.577 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C1=COCC1 ZINC000747783470 585184209 /nfs/dbraw/zinc/18/42/09/585184209.db2.gz OYZDJITUQMUUQH-UHFFFAOYSA-N 1 2 208.217 0.768 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[N@@H+]1C ZINC000747986428 585186301 /nfs/dbraw/zinc/18/63/01/585186301.db2.gz ODLSTSSMJTYNCR-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[N@H+]1C ZINC000747986428 585186302 /nfs/dbraw/zinc/18/63/02/585186302.db2.gz ODLSTSSMJTYNCR-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H]1CN(C(=O)c2cnc[nH]2)CC[N@@H+]1C ZINC000748346990 585191359 /nfs/dbraw/zinc/19/13/59/585191359.db2.gz DLQQJXRIWWVWEB-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@H]1CN(C(=O)c2cnc[nH]2)CC[N@H+]1C ZINC000748346990 585191360 /nfs/dbraw/zinc/19/13/60/585191360.db2.gz DLQQJXRIWWVWEB-QMMMGPOBSA-N 1 2 208.265 0.186 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(C)=O)C1 ZINC000748461733 585193218 /nfs/dbraw/zinc/19/32/18/585193218.db2.gz VRZBONROBYMFMK-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(C)=O)C1 ZINC000748461733 585193219 /nfs/dbraw/zinc/19/32/19/585193219.db2.gz VRZBONROBYMFMK-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO C[N@H+](CN1C(=O)CC(C)(C)C1=O)C1CC1 ZINC000748786367 585195775 /nfs/dbraw/zinc/19/57/75/585195775.db2.gz SJFIOVFYKMYHOG-UHFFFAOYSA-N 1 2 210.277 0.823 20 0 BCADLO C[N@@H+](CN1C(=O)CC(C)(C)C1=O)C1CC1 ZINC000748786367 585195776 /nfs/dbraw/zinc/19/57/76/585195776.db2.gz SJFIOVFYKMYHOG-UHFFFAOYSA-N 1 2 210.277 0.823 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C ZINC000749434700 585202209 /nfs/dbraw/zinc/20/22/09/585202209.db2.gz DIDCENSCFBBWMI-VHSXEESVSA-N 1 2 247.335 0.561 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCOC[C@H]1C ZINC000749510914 585203196 /nfs/dbraw/zinc/20/31/96/585203196.db2.gz MALMVRMFZVIQPX-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCOC[C@H]1C ZINC000749510914 585203197 /nfs/dbraw/zinc/20/31/97/585203197.db2.gz MALMVRMFZVIQPX-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1CCS(C)(=O)=O ZINC000749514274 585203314 /nfs/dbraw/zinc/20/33/14/585203314.db2.gz HTDDBWNPESCUCF-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1COCCC[N@H+]1CCS(C)(=O)=O ZINC000749514274 585203315 /nfs/dbraw/zinc/20/33/15/585203315.db2.gz HTDDBWNPESCUCF-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000750720232 585218483 /nfs/dbraw/zinc/21/84/83/585218483.db2.gz MPRODLUISBXNOZ-UHFFFAOYSA-N 1 2 236.275 0.220 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000750720232 585218484 /nfs/dbraw/zinc/21/84/84/585218484.db2.gz MPRODLUISBXNOZ-UHFFFAOYSA-N 1 2 236.275 0.220 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000750720411 585218947 /nfs/dbraw/zinc/21/89/47/585218947.db2.gz OGTRJDULJYTCGC-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000750720411 585218948 /nfs/dbraw/zinc/21/89/48/585218948.db2.gz OGTRJDULJYTCGC-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000750720411 585218949 /nfs/dbraw/zinc/21/89/49/585218949.db2.gz OGTRJDULJYTCGC-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000750720411 585218950 /nfs/dbraw/zinc/21/89/50/585218950.db2.gz OGTRJDULJYTCGC-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO CCCNC(=S)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751014846 585223549 /nfs/dbraw/zinc/22/35/49/585223549.db2.gz MUUFDFVQGCYVNC-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO CCCNC(=S)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751014846 585223550 /nfs/dbraw/zinc/22/35/50/585223550.db2.gz MUUFDFVQGCYVNC-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO Nc1ccc(CCC(=O)OCCCCO)c[nH+]1 ZINC000751442183 585230409 /nfs/dbraw/zinc/23/04/09/585230409.db2.gz KNERCDKNBGNYGD-UHFFFAOYSA-N 1 2 238.287 0.912 20 0 BCADLO Cc1nonc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000751500210 585231307 /nfs/dbraw/zinc/23/13/07/585231307.db2.gz UMQJJUKUKADJAE-UHFFFAOYSA-N 1 2 248.290 0.876 20 0 BCADLO CS/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751572728 585233080 /nfs/dbraw/zinc/23/30/80/585233080.db2.gz UCIMSOOXXUDFBG-WPKZPIIRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751572728 585233081 /nfs/dbraw/zinc/23/30/81/585233081.db2.gz UCIMSOOXXUDFBG-WPKZPIIRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000751581940 585233679 /nfs/dbraw/zinc/23/36/79/585233679.db2.gz NDCIVRSTGKETKV-QBBOHKLWSA-N 1 2 243.376 0.225 20 0 BCADLO CS/C=C/C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000751581940 585233680 /nfs/dbraw/zinc/23/36/80/585233680.db2.gz NDCIVRSTGKETKV-QBBOHKLWSA-N 1 2 243.376 0.225 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1C[C@@H]1C1CC1 ZINC000751747513 585236224 /nfs/dbraw/zinc/23/62/24/585236224.db2.gz VLLDAUORBREBSG-NEPJUHHUSA-N 1 2 239.315 0.908 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C(F)(F)C1(O)CCC1 ZINC000752963603 585251762 /nfs/dbraw/zinc/25/17/62/585251762.db2.gz GPQGAGZJYYPDBH-UHFFFAOYSA-N 1 2 245.229 0.576 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CC(F)C2)CCO1 ZINC000753147695 585254267 /nfs/dbraw/zinc/25/42/67/585254267.db2.gz MEVMLTRTKGQLGW-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC(F)C2)CCO1 ZINC000753147695 585254268 /nfs/dbraw/zinc/25/42/68/585254268.db2.gz MEVMLTRTKGQLGW-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO O=C(C[C@H]1CCOC1)OCCn1cc[nH+]c1 ZINC000753627904 585264939 /nfs/dbraw/zinc/26/49/39/585264939.db2.gz ATKYTNFHVUPXOS-SNVBAGLBSA-N 1 2 224.260 0.853 20 0 BCADLO CCC(=O)CC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000753686744 585266232 /nfs/dbraw/zinc/26/62/32/585266232.db2.gz ZHNQJXJTPHQHCI-UHFFFAOYSA-N 1 2 241.335 0.655 20 0 BCADLO CO[C@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000753678076 585266437 /nfs/dbraw/zinc/26/64/37/585266437.db2.gz GKEKDENGQUKTIS-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO CCC(=O)CC[N@H+](CC(=O)OC)C1CC1 ZINC000753738757 585267564 /nfs/dbraw/zinc/26/75/64/585267564.db2.gz QHUKNSXUEWYDDQ-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO CCC(=O)CC[N@@H+](CC(=O)OC)C1CC1 ZINC000753738757 585267565 /nfs/dbraw/zinc/26/75/65/585267565.db2.gz QHUKNSXUEWYDDQ-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO CCC(=O)CC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000753740174 585267879 /nfs/dbraw/zinc/26/78/79/585267879.db2.gz WMKDIRNVJZSEPE-UHFFFAOYSA-N 1 2 247.360 0.865 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000754001944 585274824 /nfs/dbraw/zinc/27/48/24/585274824.db2.gz RWQSOYHGMALLOG-UKKRHICBSA-N 1 2 237.299 0.849 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000754001939 585274971 /nfs/dbraw/zinc/27/49/71/585274971.db2.gz RWQSOYHGMALLOG-LMLFDSFASA-N 1 2 237.299 0.849 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)c1nnc(C)o1 ZINC000754296092 585282129 /nfs/dbraw/zinc/28/21/29/585282129.db2.gz KFFRUPBAHPXIDD-WDSKDSINSA-N 1 2 228.252 0.972 20 0 BCADLO O=Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)[nH]1 ZINC000754303811 585282375 /nfs/dbraw/zinc/28/23/75/585282375.db2.gz UWRDFAHDLAMOMC-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO O=Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)[nH]1 ZINC000754303811 585282376 /nfs/dbraw/zinc/28/23/76/585282376.db2.gz UWRDFAHDLAMOMC-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO C[C@@H]1COCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000754382191 585283941 /nfs/dbraw/zinc/28/39/41/585283941.db2.gz VLVLWBXOINRALN-VIFPVBQESA-N 1 2 239.275 0.581 20 0 BCADLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000754382191 585283942 /nfs/dbraw/zinc/28/39/42/585283942.db2.gz VLVLWBXOINRALN-VIFPVBQESA-N 1 2 239.275 0.581 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000754542162 585285829 /nfs/dbraw/zinc/28/58/29/585285829.db2.gz TZNCOXLYLBRCJF-WPRPVWTQSA-N 1 2 243.303 0.869 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754682807 585289061 /nfs/dbraw/zinc/28/90/61/585289061.db2.gz CJIXKXHOSCOJJP-QMMMGPOBSA-N 1 2 239.275 0.378 20 0 BCADLO OC1CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000754673439 585289227 /nfs/dbraw/zinc/28/92/27/585289227.db2.gz GPOUILKBEIFMSF-UHFFFAOYSA-N 1 2 224.651 0.744 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000755924395 585310807 /nfs/dbraw/zinc/31/08/07/585310807.db2.gz XKLJAPCWTAKHFZ-JTQLQIEISA-N 1 2 239.319 0.024 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000755924395 585310808 /nfs/dbraw/zinc/31/08/08/585310808.db2.gz XKLJAPCWTAKHFZ-JTQLQIEISA-N 1 2 239.319 0.024 20 0 BCADLO O=C(C=C1CCC1)OCC[NH+]1CCOCC1 ZINC000756722460 585322735 /nfs/dbraw/zinc/32/27/35/585322735.db2.gz IEMAVMMXNRKZHD-UHFFFAOYSA-N 1 2 225.288 0.972 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000756842496 585324165 /nfs/dbraw/zinc/32/41/65/585324165.db2.gz IQDAQNXJERAEBM-MRVPVSSYSA-N 1 2 246.270 0.199 20 0 BCADLO Cc1nc([C@H](C)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000839533334 585329046 /nfs/dbraw/zinc/32/90/46/585329046.db2.gz HOLLBSOPBPLDMK-IUCAKERBSA-N 1 2 223.324 0.810 20 0 BCADLO Cc1nc([C@H](C)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000839533334 585329047 /nfs/dbraw/zinc/32/90/47/585329047.db2.gz HOLLBSOPBPLDMK-IUCAKERBSA-N 1 2 223.324 0.810 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839622528 585332787 /nfs/dbraw/zinc/33/27/87/585332787.db2.gz DEOSDXDUKFQBAP-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839622528 585332788 /nfs/dbraw/zinc/33/27/88/585332788.db2.gz DEOSDXDUKFQBAP-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626170 585332846 /nfs/dbraw/zinc/33/28/46/585332846.db2.gz PIKORKHGHPLELI-ABAIWWIYSA-N 1 2 231.361 0.866 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839626170 585332847 /nfs/dbraw/zinc/33/28/47/585332847.db2.gz PIKORKHGHPLELI-ABAIWWIYSA-N 1 2 231.361 0.866 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671269 585336405 /nfs/dbraw/zinc/33/64/05/585336405.db2.gz KWVCSFCKGLRXFI-HSHPDBBSSA-N 1 2 243.303 0.187 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671269 585336406 /nfs/dbraw/zinc/33/64/06/585336406.db2.gz KWVCSFCKGLRXFI-HSHPDBBSSA-N 1 2 243.303 0.187 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671561 585336464 /nfs/dbraw/zinc/33/64/64/585336464.db2.gz MIDWCDGJEHVJJM-JQWIXIFHSA-N 1 2 229.320 0.683 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839671561 585336465 /nfs/dbraw/zinc/33/64/65/585336465.db2.gz MIDWCDGJEHVJJM-JQWIXIFHSA-N 1 2 229.320 0.683 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)CCO1 ZINC000757668261 585343935 /nfs/dbraw/zinc/34/39/35/585343935.db2.gz PBMSMOCHKZEQOX-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)CCO1 ZINC000757668261 585343936 /nfs/dbraw/zinc/34/39/36/585343936.db2.gz PBMSMOCHKZEQOX-SNVBAGLBSA-N 1 2 243.351 0.805 20 0 BCADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758302014 585353423 /nfs/dbraw/zinc/35/34/23/585353423.db2.gz WNLBEITXVJPRBY-SNVBAGLBSA-N 1 2 249.318 0.825 20 0 BCADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758302014 585353424 /nfs/dbraw/zinc/35/34/24/585353424.db2.gz WNLBEITXVJPRBY-SNVBAGLBSA-N 1 2 249.318 0.825 20 0 BCADLO CC(C)[C@@H](C)[N@H+](C)Cn1ncn(C)c1=O ZINC000758301366 585353471 /nfs/dbraw/zinc/35/34/71/585353471.db2.gz VEMVPPRDQKKTAT-SECBINFHSA-N 1 2 212.297 0.516 20 0 BCADLO CC(C)[C@@H](C)[N@@H+](C)Cn1ncn(C)c1=O ZINC000758301366 585353472 /nfs/dbraw/zinc/35/34/72/585353472.db2.gz VEMVPPRDQKKTAT-SECBINFHSA-N 1 2 212.297 0.516 20 0 BCADLO CC(C)C[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758305104 585353504 /nfs/dbraw/zinc/35/35/04/585353504.db2.gz OFMFODXJRNZDHG-UHFFFAOYSA-N 1 2 235.291 0.436 20 0 BCADLO CC(C)C[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758305104 585353505 /nfs/dbraw/zinc/35/35/05/585353505.db2.gz OFMFODXJRNZDHG-UHFFFAOYSA-N 1 2 235.291 0.436 20 0 BCADLO C[C@H]1C[NH+](Cn2ncn(C)c2=O)C[C@@H]1C ZINC000758341719 585354011 /nfs/dbraw/zinc/35/40/11/585354011.db2.gz SXQDHEWVCNWNKZ-IUCAKERBSA-N 1 2 210.281 0.127 20 0 BCADLO C[N@H+](CCC1CC1)Cn1nc2cnccn2c1=O ZINC000758351093 585354377 /nfs/dbraw/zinc/35/43/77/585354377.db2.gz RHDOYCJYTXWPML-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO C[N@@H+](CCC1CC1)Cn1nc2cnccn2c1=O ZINC000758351093 585354378 /nfs/dbraw/zinc/35/43/78/585354378.db2.gz RHDOYCJYTXWPML-UHFFFAOYSA-N 1 2 247.302 0.580 20 0 BCADLO CC[C@@H](C)C[N@H+](CC)Cn1ncn(C)c1=O ZINC000758355170 585354487 /nfs/dbraw/zinc/35/44/87/585354487.db2.gz JSYFZNILZDAMBP-SNVBAGLBSA-N 1 2 226.324 0.907 20 0 BCADLO CC[C@@H](C)C[N@@H+](CC)Cn1ncn(C)c1=O ZINC000758355170 585354488 /nfs/dbraw/zinc/35/44/88/585354488.db2.gz JSYFZNILZDAMBP-SNVBAGLBSA-N 1 2 226.324 0.907 20 0 BCADLO Cc1nc(CN2CC[NH+](CCF)CC2)no1 ZINC000759341095 585369016 /nfs/dbraw/zinc/36/90/16/585369016.db2.gz CTCZCBXKJXYYMY-UHFFFAOYSA-N 1 2 228.271 0.465 20 0 BCADLO CCc1nc(CN2CC[NH+](CCF)CC2)no1 ZINC000759346157 585370346 /nfs/dbraw/zinc/37/03/46/585370346.db2.gz XMGOYQLXVXOZDK-UHFFFAOYSA-N 1 2 242.298 0.719 20 0 BCADLO Cc1[nH]c(C(=O)N[C@](C)(CO)C2CC2)c[nH+]1 ZINC000759533968 585374907 /nfs/dbraw/zinc/37/49/07/585374907.db2.gz HICXUPWVBXOOQV-LLVKDONJSA-N 1 2 223.276 0.609 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000759710294 585379100 /nfs/dbraw/zinc/37/91/00/585379100.db2.gz DZXIEUHUFTUUJX-MWLCHTKSSA-N 1 2 233.267 0.765 20 0 BCADLO COCc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=O)o1 ZINC000759733607 585379508 /nfs/dbraw/zinc/37/95/08/585379508.db2.gz NRNYCQLRZDSGPG-BDAKNGLRSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=O)o1 ZINC000759733607 585379509 /nfs/dbraw/zinc/37/95/09/585379509.db2.gz NRNYCQLRZDSGPG-BDAKNGLRSA-N 1 2 241.291 0.671 20 0 BCADLO C[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)C(N)=O ZINC000759807162 585380716 /nfs/dbraw/zinc/38/07/16/585380716.db2.gz AZYHIMSPUJVLHO-SSDOTTSWSA-N 1 2 237.259 0.013 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000761074164 585405352 /nfs/dbraw/zinc/40/53/52/585405352.db2.gz AYUCVKJENDWYPL-JTQLQIEISA-N 1 2 225.336 0.243 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000761074164 585405353 /nfs/dbraw/zinc/40/53/53/585405353.db2.gz AYUCVKJENDWYPL-JTQLQIEISA-N 1 2 225.336 0.243 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000761069382 585405385 /nfs/dbraw/zinc/40/53/85/585405385.db2.gz LBNFVQPAJDIWEM-VXGBXAGGSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000761069382 585405386 /nfs/dbraw/zinc/40/53/86/585405386.db2.gz LBNFVQPAJDIWEM-VXGBXAGGSA-N 1 2 239.363 0.632 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761074253 585405692 /nfs/dbraw/zinc/40/56/92/585405692.db2.gz BJDZZYHBGPCRIG-SDDRHHMPSA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761074253 585405693 /nfs/dbraw/zinc/40/56/93/585405693.db2.gz BJDZZYHBGPCRIG-SDDRHHMPSA-N 1 2 241.379 0.926 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761076626 585406023 /nfs/dbraw/zinc/40/60/23/585406023.db2.gz IIGUZHCWIMVELC-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761076626 585406024 /nfs/dbraw/zinc/40/60/24/585406024.db2.gz IIGUZHCWIMVELC-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cncnc1 ZINC000761109684 585410354 /nfs/dbraw/zinc/41/03/54/585410354.db2.gz OXTMZTWLUNMJEM-UHFFFAOYSA-N 1 2 218.216 0.567 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000761232374 585412781 /nfs/dbraw/zinc/41/27/81/585412781.db2.gz NUJFYMPTSKKIPE-CDAZIORVSA-N 1 2 248.286 0.807 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1=CCCC1 ZINC000761549515 585417056 /nfs/dbraw/zinc/41/70/56/585417056.db2.gz VXHRRQWCBKUHAF-UHFFFAOYSA-N 1 2 225.288 0.972 20 0 BCADLO CN(C)c1cc[nH+]cc1C(=O)NN1CCCC1=O ZINC000762638575 585434594 /nfs/dbraw/zinc/43/45/94/585434594.db2.gz CCGMLCKPYDGCGE-UHFFFAOYSA-N 1 2 248.286 0.415 20 0 BCADLO Cc1cnc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000763115365 585443345 /nfs/dbraw/zinc/44/33/45/585443345.db2.gz MLRMISBYNWXDGX-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO Nc1nccnc1C(=O)OCCCn1cc[nH+]c1 ZINC000763288047 585446007 /nfs/dbraw/zinc/44/60/07/585446007.db2.gz SPAAUFWAXYCGJJ-UHFFFAOYSA-N 1 2 247.258 0.502 20 0 BCADLO COC(C[N@@H+]1CC[S@@](=O)C[C@H](C)C1)OC ZINC000763877493 585455825 /nfs/dbraw/zinc/45/58/25/585455825.db2.gz JMASWBKEJOEQIV-RFAUZJTJSA-N 1 2 235.349 0.306 20 0 BCADLO COC(C[N@H+]1CC[S@@](=O)C[C@H](C)C1)OC ZINC000763877493 585455826 /nfs/dbraw/zinc/45/58/26/585455826.db2.gz JMASWBKEJOEQIV-RFAUZJTJSA-N 1 2 235.349 0.306 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000765054314 585480491 /nfs/dbraw/zinc/48/04/91/585480491.db2.gz SNXYOCGPXIUTOY-SNVBAGLBSA-N 1 2 237.303 0.673 20 0 BCADLO CC[N@@H+]1C[C@@H](C)N(CCS(C)(=O)=O)C[C@@H]1C ZINC000766253857 585499470 /nfs/dbraw/zinc/49/94/70/585499470.db2.gz LEPWNEGUBPBTAY-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CC[N@H+]1C[C@@H](C)N(CCS(C)(=O)=O)C[C@@H]1C ZINC000766253857 585499471 /nfs/dbraw/zinc/49/94/71/585499471.db2.gz LEPWNEGUBPBTAY-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@@H](C)[N@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000766253857 585499473 /nfs/dbraw/zinc/49/94/73/585499473.db2.gz LEPWNEGUBPBTAY-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@@H](C)[N@@H+](CCS(C)(=O)=O)C[C@@H]1C ZINC000766253857 585499474 /nfs/dbraw/zinc/49/94/74/585499474.db2.gz LEPWNEGUBPBTAY-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H](CO)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000766730950 585506805 /nfs/dbraw/zinc/50/68/05/585506805.db2.gz OSOFUTPJQWHIFC-VIFPVBQESA-N 1 2 238.287 0.768 20 0 BCADLO Cc1nc(CC[N@@H+]2CCCNC(=O)C2)cs1 ZINC000767371696 585518085 /nfs/dbraw/zinc/51/80/85/585518085.db2.gz XPCWUQMISOKBHW-UHFFFAOYSA-N 1 2 239.344 0.816 20 0 BCADLO Cc1nc(CC[N@H+]2CCCNC(=O)C2)cs1 ZINC000767371696 585518086 /nfs/dbraw/zinc/51/80/86/585518086.db2.gz XPCWUQMISOKBHW-UHFFFAOYSA-N 1 2 239.344 0.816 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)C1CC1 ZINC000767537098 585522329 /nfs/dbraw/zinc/52/23/29/585522329.db2.gz ABSFORMKEDKUEL-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)C1CC1 ZINC000767537098 585522330 /nfs/dbraw/zinc/52/23/30/585522330.db2.gz ABSFORMKEDKUEL-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)OC[C@@H]1CCCO1 ZINC000859236113 589023151 /nfs/dbraw/zinc/02/31/51/589023151.db2.gz UAEFVSANKCBRHP-VIFPVBQESA-N 1 2 225.248 0.815 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)OC[C@@H]1CCCO1 ZINC000859236113 589023153 /nfs/dbraw/zinc/02/31/53/589023153.db2.gz UAEFVSANKCBRHP-VIFPVBQESA-N 1 2 225.248 0.815 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]O[C@H]1CCNC1=O ZINC000768936131 585546452 /nfs/dbraw/zinc/54/64/52/585546452.db2.gz ZYJPNPFONMSQSN-ZETCQYMHSA-N 1 2 229.280 0.188 20 0 BCADLO NC(=O)C1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000769097996 585548856 /nfs/dbraw/zinc/54/88/56/585548856.db2.gz SNPSKPNSRFTSOG-UHFFFAOYSA-N 1 2 237.259 0.082 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000769483149 585558195 /nfs/dbraw/zinc/55/81/95/585558195.db2.gz MTQBZUBNLPKRRC-VIFPVBQESA-N 1 2 222.248 0.046 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000769483149 585558196 /nfs/dbraw/zinc/55/81/96/585558196.db2.gz MTQBZUBNLPKRRC-VIFPVBQESA-N 1 2 222.248 0.046 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cn[nH]c2)C1 ZINC000769565399 585559518 /nfs/dbraw/zinc/55/95/18/585559518.db2.gz NYHFHTYGTAZSST-JTQLQIEISA-N 1 2 227.239 0.497 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000769565399 585559519 /nfs/dbraw/zinc/55/95/19/585559519.db2.gz NYHFHTYGTAZSST-JTQLQIEISA-N 1 2 227.239 0.497 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1CCCOC1 ZINC000769878021 585565949 /nfs/dbraw/zinc/56/59/49/585565949.db2.gz OCMYCUFLOFLDHV-IUCAKERBSA-N 1 2 216.281 0.946 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H]1CCNC1=O ZINC000769990669 585568823 /nfs/dbraw/zinc/56/88/23/585568823.db2.gz QLJGWBAEFJFFKU-SECBINFHSA-N 1 2 249.270 0.477 20 0 BCADLO CON(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770397652 585573655 /nfs/dbraw/zinc/57/36/55/585573655.db2.gz NNMUNNNYBZRSJJ-UHFFFAOYSA-N 1 2 205.217 0.968 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@](C)(CO)C1CC1 ZINC000770463242 585574542 /nfs/dbraw/zinc/57/45/42/585574542.db2.gz WVXFBIKQXJSMQI-LBPRGKRZSA-N 1 2 247.302 0.936 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H](CO)C1CC1 ZINC000771001021 585586648 /nfs/dbraw/zinc/58/66/48/585586648.db2.gz MMRJGNAYNVQTJS-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000771013004 585587156 /nfs/dbraw/zinc/58/71/56/585587156.db2.gz ONNCQQGWGVPJQU-QWRGUYRKSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000771093797 585590022 /nfs/dbraw/zinc/59/00/22/585590022.db2.gz ZWDPAFOPYCUQRM-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCS(C)(=O)=O ZINC000771459907 585594573 /nfs/dbraw/zinc/59/45/73/585594573.db2.gz MWHZQBWAZPQJEP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCS(C)(=O)=O ZINC000771459907 585594574 /nfs/dbraw/zinc/59/45/74/585594574.db2.gz MWHZQBWAZPQJEP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCS(C)(=O)=O ZINC000771459907 585594575 /nfs/dbraw/zinc/59/45/75/585594575.db2.gz MWHZQBWAZPQJEP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000771459907 585594576 /nfs/dbraw/zinc/59/45/76/585594576.db2.gz MWHZQBWAZPQJEP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C/C=C(/C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771563286 585596170 /nfs/dbraw/zinc/59/61/70/585596170.db2.gz WCNOQVYMLYQJRZ-CTPBAPBTSA-N 1 2 238.331 0.886 20 0 BCADLO Cn1cc(CO[NH+]=C(N)Cc2cccnc2)nn1 ZINC000771664373 585598637 /nfs/dbraw/zinc/59/86/37/585598637.db2.gz JMPWVGMKTRXQDP-UHFFFAOYSA-N 1 2 246.274 0.451 20 0 BCADLO COC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000771763558 585599935 /nfs/dbraw/zinc/59/99/35/585599935.db2.gz IXBQTRWVRUGXAX-JGVFFNPUSA-N 1 2 202.254 0.062 20 0 BCADLO COC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000771763558 585599936 /nfs/dbraw/zinc/59/99/36/585599936.db2.gz IXBQTRWVRUGXAX-JGVFFNPUSA-N 1 2 202.254 0.062 20 0 BCADLO Cc1cc(C)n(CC(=O)OCCn2cc[nH+]c2)n1 ZINC000771895595 585604112 /nfs/dbraw/zinc/60/41/12/585604112.db2.gz HZQJXRGXENROQA-UHFFFAOYSA-N 1 2 248.286 0.940 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771929794 585604709 /nfs/dbraw/zinc/60/47/09/585604709.db2.gz YQKPKDDNPFWRJG-ZJUUUORDSA-N 1 2 224.260 0.851 20 0 BCADLO COC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000771957760 585605399 /nfs/dbraw/zinc/60/53/99/585605399.db2.gz JZFUYULYCUYAJV-UHFFFAOYSA-N 1 2 212.249 0.851 20 0 BCADLO CCOCCC(=O)OCCn1cc[nH+]c1 ZINC000771952726 585605422 /nfs/dbraw/zinc/60/54/22/585605422.db2.gz SRRGRLYGYBRYLY-UHFFFAOYSA-N 1 2 212.249 0.853 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H](O)C1CC1 ZINC000771957803 585605547 /nfs/dbraw/zinc/60/55/47/585605547.db2.gz LHEBSLNHLCKCPT-SECBINFHSA-N 1 2 210.233 0.197 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1=COCC1 ZINC000771966100 585605884 /nfs/dbraw/zinc/60/58/84/585605884.db2.gz VMCUSINRBRWZAV-UHFFFAOYSA-N 1 2 208.217 0.731 20 0 BCADLO Cc1cc(CC(=O)OCCn2cc[nH+]c2)[nH]n1 ZINC000771994626 585606375 /nfs/dbraw/zinc/60/63/75/585606375.db2.gz OSJMUOOIYARLJK-UHFFFAOYSA-N 1 2 234.259 0.701 20 0 BCADLO Cc1cc(CC(=O)OCCn2cc[nH+]c2)n[nH]1 ZINC000771994626 585606376 /nfs/dbraw/zinc/60/63/76/585606376.db2.gz OSJMUOOIYARLJK-UHFFFAOYSA-N 1 2 234.259 0.701 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772056475 585607844 /nfs/dbraw/zinc/60/78/44/585607844.db2.gz XVJNKIFCENNPIM-VHSXEESVSA-N 1 2 224.260 0.851 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H](C)OC)C1 ZINC000805468233 585620256 /nfs/dbraw/zinc/62/02/56/585620256.db2.gz FQUYOLMHJYTCCI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H](C)OC)C1 ZINC000805468233 585620257 /nfs/dbraw/zinc/62/02/57/585620257.db2.gz FQUYOLMHJYTCCI-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000772775761 585623161 /nfs/dbraw/zinc/62/31/61/585623161.db2.gz AZVWAHDAAHXIMA-BFVZDQMLSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000772775761 585623162 /nfs/dbraw/zinc/62/31/62/585623162.db2.gz AZVWAHDAAHXIMA-BFVZDQMLSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000772775773 585623472 /nfs/dbraw/zinc/62/34/72/585623472.db2.gz AZVWAHDAAHXIMA-RBZYPMLTSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000772775773 585623473 /nfs/dbraw/zinc/62/34/73/585623473.db2.gz AZVWAHDAAHXIMA-RBZYPMLTSA-N 1 2 217.334 0.807 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H]2CCCO2)C1 ZINC000805471745 585624018 /nfs/dbraw/zinc/62/40/18/585624018.db2.gz SKRXFRMUKBOCCM-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H]2CCCO2)C1 ZINC000805471745 585624019 /nfs/dbraw/zinc/62/40/19/585624019.db2.gz SKRXFRMUKBOCCM-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOC(C)C)C1 ZINC000805471972 585624499 /nfs/dbraw/zinc/62/44/99/585624499.db2.gz YXBVMPLPMAXPTK-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCOC(C)C)C1 ZINC000805471972 585624500 /nfs/dbraw/zinc/62/45/00/585624500.db2.gz YXBVMPLPMAXPTK-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCC(C)=O)C1 ZINC000805475513 585628224 /nfs/dbraw/zinc/62/82/24/585628224.db2.gz SEAOFLUNIOOJEN-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCC(C)=O)C1 ZINC000805475513 585628225 /nfs/dbraw/zinc/62/82/25/585628225.db2.gz SEAOFLUNIOOJEN-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO Cn1nccc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000773520467 585639219 /nfs/dbraw/zinc/63/92/19/585639219.db2.gz DCGLUAOQANGQQL-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1nccc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000773520467 585639220 /nfs/dbraw/zinc/63/92/20/585639220.db2.gz DCGLUAOQANGQQL-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H](C(=O)N(C)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773753720 585643120 /nfs/dbraw/zinc/64/31/20/585643120.db2.gz WXSSYQHLWDXYDG-QWRGUYRKSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H](C(=O)N(C)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000773753720 585643121 /nfs/dbraw/zinc/64/31/21/585643121.db2.gz WXSSYQHLWDXYDG-QWRGUYRKSA-N 1 2 244.335 0.896 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2ccnn2C)C1 ZINC000773894316 585645784 /nfs/dbraw/zinc/64/57/84/585645784.db2.gz JQJNDWKGXHEUBX-UHFFFAOYSA-N 1 2 209.293 0.623 20 0 BCADLO CC(C)C1(O)CN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000773892573 585645924 /nfs/dbraw/zinc/64/59/24/585645924.db2.gz HJUXQYSNFDJGLV-LBPRGKRZSA-N 1 2 242.363 0.410 20 0 BCADLO CC(C)C1(O)C[NH+](CCOCC(F)F)C1 ZINC000773900378 585646075 /nfs/dbraw/zinc/64/60/75/585646075.db2.gz UGBSOFQBSMZRNH-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1COCCO1 ZINC000774059254 585649207 /nfs/dbraw/zinc/64/92/07/585649207.db2.gz YZYRCPRDRDMNSN-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1COCCO1 ZINC000774059254 585649208 /nfs/dbraw/zinc/64/92/08/585649208.db2.gz YZYRCPRDRDMNSN-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1 ZINC000774072614 585649668 /nfs/dbraw/zinc/64/96/68/585649668.db2.gz SWGAAYMNMCVLJP-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCOC1 ZINC000774072614 585649669 /nfs/dbraw/zinc/64/96/69/585649669.db2.gz SWGAAYMNMCVLJP-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]nc2Cl)C1 ZINC000774227215 585654389 /nfs/dbraw/zinc/65/43/89/585654389.db2.gz ZJHOUXPTNKCVOR-ZETCQYMHSA-N 1 2 244.682 0.332 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2c[nH]nc2Cl)C1 ZINC000774227215 585654390 /nfs/dbraw/zinc/65/43/90/585654390.db2.gz ZJHOUXPTNKCVOR-ZETCQYMHSA-N 1 2 244.682 0.332 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000774622062 585662392 /nfs/dbraw/zinc/66/23/92/585662392.db2.gz WIPLDYZVLAPKOM-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000774622062 585662393 /nfs/dbraw/zinc/66/23/93/585662393.db2.gz WIPLDYZVLAPKOM-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000774644443 585662711 /nfs/dbraw/zinc/66/27/11/585662711.db2.gz GBVSVDKHFNRBKW-UHFFFAOYSA-N 1 2 238.287 0.844 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000774644443 585662712 /nfs/dbraw/zinc/66/27/12/585662712.db2.gz GBVSVDKHFNRBKW-UHFFFAOYSA-N 1 2 238.287 0.844 20 0 BCADLO CNC(=O)CC(=O)OCc1c[nH+]ccc1OC ZINC000805532030 585671767 /nfs/dbraw/zinc/67/17/67/585671767.db2.gz KVZQWBSFYLFJGO-UHFFFAOYSA-N 1 2 238.243 0.270 20 0 BCADLO Cn1ccnc1C(=O)NCCc1c[nH+]cn1C ZINC000775405277 585677468 /nfs/dbraw/zinc/67/74/68/585677468.db2.gz JRNCOSQVXPVMNR-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO C[N@H+](CCO)Cc1cn(Cc2ccccc2)nn1 ZINC000775565213 585679754 /nfs/dbraw/zinc/67/97/54/585679754.db2.gz ISBUAWKFKSLKRG-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO C[N@@H+](CCO)Cc1cn(Cc2ccccc2)nn1 ZINC000775565213 585679755 /nfs/dbraw/zinc/67/97/55/585679755.db2.gz ISBUAWKFKSLKRG-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC[C@@H]2C)o1 ZINC000775570336 585680494 /nfs/dbraw/zinc/68/04/94/585680494.db2.gz XFMNXOWMASJXPN-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC[C@@H]2C)o1 ZINC000775570336 585680495 /nfs/dbraw/zinc/68/04/95/585680495.db2.gz XFMNXOWMASJXPN-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)Cn1cnnc1 ZINC000776755529 585703722 /nfs/dbraw/zinc/70/37/22/585703722.db2.gz CTUKPOBQQJLBAP-UHFFFAOYSA-N 1 2 225.296 0.082 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)Cn1cnnc1 ZINC000776755529 585703723 /nfs/dbraw/zinc/70/37/23/585703723.db2.gz CTUKPOBQQJLBAP-UHFFFAOYSA-N 1 2 225.296 0.082 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)Cn1cnnc1 ZINC000776757528 585704375 /nfs/dbraw/zinc/70/43/75/585704375.db2.gz SXONWSOQBPPIEA-UHFFFAOYSA-N 1 2 221.264 0.972 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)Cn1cnnc1 ZINC000776757528 585704376 /nfs/dbraw/zinc/70/43/76/585704376.db2.gz SXONWSOQBPPIEA-UHFFFAOYSA-N 1 2 221.264 0.972 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000776764872 585705251 /nfs/dbraw/zinc/70/52/51/585705251.db2.gz SDCIRZRAOQBPMT-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000776764872 585705252 /nfs/dbraw/zinc/70/52/52/585705252.db2.gz SDCIRZRAOQBPMT-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO CCONC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777412157 585711552 /nfs/dbraw/zinc/71/15/52/585711552.db2.gz PEKJQSUHBCDTPD-MRVPVSSYSA-N 1 2 224.264 0.449 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777456305 585712748 /nfs/dbraw/zinc/71/27/48/585712748.db2.gz ORABYZNKEIOTQN-ZETCQYMHSA-N 1 2 232.247 0.505 20 0 BCADLO CC(C)[C@H]1C[N@H+](CN2CCOC2=S)CCO1 ZINC000777967817 585724884 /nfs/dbraw/zinc/72/48/84/585724884.db2.gz JNTZTMWRMMDJNP-SNVBAGLBSA-N 1 2 244.360 0.918 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CN2CCOC2=S)CCO1 ZINC000777967817 585724885 /nfs/dbraw/zinc/72/48/85/585724885.db2.gz JNTZTMWRMMDJNP-SNVBAGLBSA-N 1 2 244.360 0.918 20 0 BCADLO CC(C)[C@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000777967615 585724901 /nfs/dbraw/zinc/72/49/01/585724901.db2.gz DKESLXJSVDVVIW-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000777967615 585724902 /nfs/dbraw/zinc/72/49/02/585724902.db2.gz DKESLXJSVDVVIW-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)C1CC1 ZINC000778257313 585729925 /nfs/dbraw/zinc/72/99/25/585729925.db2.gz GGFGXFPOVYKMCA-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)C1CC1 ZINC000778257313 585729926 /nfs/dbraw/zinc/72/99/26/585729926.db2.gz GGFGXFPOVYKMCA-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cn[nH]n1 ZINC000805607375 585734853 /nfs/dbraw/zinc/73/48/53/585734853.db2.gz VRDRPBZBMUIFMJ-UHFFFAOYSA-N 1 2 221.220 0.248 20 0 BCADLO CC1(C)CC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577793 585737795 /nfs/dbraw/zinc/73/77/95/585737795.db2.gz XWSYZZFCCFFKJL-UHFFFAOYSA-N 1 2 222.288 0.991 20 0 BCADLO CC1(C)CC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577793 585737796 /nfs/dbraw/zinc/73/77/96/585737796.db2.gz XWSYZZFCCFFKJL-UHFFFAOYSA-N 1 2 222.288 0.991 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@H+]1CC=CCC1 ZINC000778577846 585737799 /nfs/dbraw/zinc/73/77/99/585737799.db2.gz ZPZKOVSZEQUOIN-ZDUSSCGKSA-N 1 2 236.315 0.845 20 0 BCADLO O=C1C[C@@]2(CCOC2)CN1C[N@@H+]1CC=CCC1 ZINC000778577846 585737800 /nfs/dbraw/zinc/73/78/00/585737800.db2.gz ZPZKOVSZEQUOIN-ZDUSSCGKSA-N 1 2 236.315 0.845 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000779074212 585744540 /nfs/dbraw/zinc/74/45/40/585744540.db2.gz OIKLKSHZQWGRMU-QPUJVOFHSA-N 1 2 249.318 0.836 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000779074213 585744887 /nfs/dbraw/zinc/74/48/87/585744887.db2.gz OIKLKSHZQWGRMU-UFBFGSQYSA-N 1 2 249.318 0.836 20 0 BCADLO C/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779097120 585745162 /nfs/dbraw/zinc/74/51/62/585745162.db2.gz UDMQCJCMPOMMOJ-PKRMOACSSA-N 1 2 205.261 0.890 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=COCC1 ZINC000779096072 585745277 /nfs/dbraw/zinc/74/52/77/585745277.db2.gz OPIWLRSNHLNEEW-JTQLQIEISA-N 1 2 233.271 0.618 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cnsn1 ZINC000779094402 585745297 /nfs/dbraw/zinc/74/52/97/585745297.db2.gz CGPRHJAIHILVQK-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CC[C@@H](CO)C(=O)Nc1cc[nH+]cc1C ZINC000779769388 585761982 /nfs/dbraw/zinc/76/19/82/585761982.db2.gz QZYJHFYAUKLVNL-VIFPVBQESA-N 1 2 208.261 0.769 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000779779208 585762309 /nfs/dbraw/zinc/76/23/09/585762309.db2.gz UOSFGTKEGIFZCY-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@H](CO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000779813804 585766726 /nfs/dbraw/zinc/76/67/26/585766726.db2.gz OAXVWYXBIBXOCH-LLVKDONJSA-N 1 2 247.298 0.969 20 0 BCADLO CCc1cnc(CO[NH+]=C(N)CCO)o1 ZINC000780125572 585772820 /nfs/dbraw/zinc/77/28/20/585772820.db2.gz MOIGVQQKIFJBNC-UHFFFAOYSA-N 1 2 213.237 0.618 20 0 BCADLO COc1cc(CO[NH+]=C(N)CCO)ccn1 ZINC000780125749 585772838 /nfs/dbraw/zinc/77/28/38/585772838.db2.gz RJCQZSIBCKVYEU-UHFFFAOYSA-N 1 2 225.248 0.471 20 0 BCADLO O=C(NN1CCCC1=O)c1ccc2[nH+]ccn2c1 ZINC000780701569 585783471 /nfs/dbraw/zinc/78/34/71/585783471.db2.gz SSSOGCXNTBHLAX-UHFFFAOYSA-N 1 2 244.254 0.602 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC=CO1 ZINC000781497546 585797772 /nfs/dbraw/zinc/79/77/72/585797772.db2.gz STVNXDJTVIDXAG-JTQLQIEISA-N 1 2 221.260 0.692 20 0 BCADLO Cc1cc(C[N@@H+]2CCCN(C=O)CC2)no1 ZINC000781560538 585798459 /nfs/dbraw/zinc/79/84/59/585798459.db2.gz CNURFBLCZKVSCU-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cc(C[N@H+]2CCCN(C=O)CC2)no1 ZINC000781560538 585798460 /nfs/dbraw/zinc/79/84/60/585798460.db2.gz CNURFBLCZKVSCU-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO C[C@@H](C1CC1)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000782194096 585811886 /nfs/dbraw/zinc/81/18/86/585811886.db2.gz KMBKATYEYUOGQF-ZETCQYMHSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@@H](C1CC1)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000782194096 585811887 /nfs/dbraw/zinc/81/18/87/585811887.db2.gz KMBKATYEYUOGQF-ZETCQYMHSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@@H](C1CC1)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000782194096 585811888 /nfs/dbraw/zinc/81/18/88/585811888.db2.gz KMBKATYEYUOGQF-ZETCQYMHSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@@H](C1CC1)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000782194096 585811889 /nfs/dbraw/zinc/81/18/89/585811889.db2.gz KMBKATYEYUOGQF-ZETCQYMHSA-N 1 2 208.265 0.598 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCCO1 ZINC000782238367 585812800 /nfs/dbraw/zinc/81/28/00/585812800.db2.gz ICDPJQMGHXNQLR-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)nc[nH+]1 ZINC000782400761 585817487 /nfs/dbraw/zinc/81/74/87/585817487.db2.gz ARMFRNNJXPSBNZ-GXSJLCMTSA-N 1 2 205.261 0.604 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC000782479490 585818714 /nfs/dbraw/zinc/81/87/14/585818714.db2.gz VQYWSPDMBCOVGU-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC000782479490 585818715 /nfs/dbraw/zinc/81/87/15/585818715.db2.gz VQYWSPDMBCOVGU-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H]1CCOC1=O)CC2 ZINC000782515762 585819385 /nfs/dbraw/zinc/81/93/85/585819385.db2.gz ARKDDCGINRHFOW-SECBINFHSA-N 1 2 221.260 0.323 20 0 BCADLO Cc1cn2c([nH+]1)CN(CCS(C)(=O)=O)CC2 ZINC000782521052 585819713 /nfs/dbraw/zinc/81/97/13/585819713.db2.gz YNTUSDNPQKJCCE-UHFFFAOYSA-N 1 2 243.332 0.052 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)C1CC1 ZINC000782580876 585820453 /nfs/dbraw/zinc/82/04/53/585820453.db2.gz NTSMJUBLTRMSSP-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(=O)C1CC1 ZINC000782580876 585820454 /nfs/dbraw/zinc/82/04/54/585820454.db2.gz NTSMJUBLTRMSSP-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000782585765 585820831 /nfs/dbraw/zinc/82/08/31/585820831.db2.gz POJFWOGORVSELS-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccccc1 ZINC000782585765 585820832 /nfs/dbraw/zinc/82/08/32/585820832.db2.gz POJFWOGORVSELS-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782590282 585820872 /nfs/dbraw/zinc/82/08/72/585820872.db2.gz COJWRBWCMJVJBP-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782590282 585820873 /nfs/dbraw/zinc/82/08/73/585820873.db2.gz COJWRBWCMJVJBP-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1C1CC1 ZINC000782604309 585821713 /nfs/dbraw/zinc/82/17/13/585821713.db2.gz AVVHKZNYIRQKQV-GXFFZTMASA-N 1 2 248.330 0.736 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1C1CC1 ZINC000782604309 585821714 /nfs/dbraw/zinc/82/17/14/585821714.db2.gz AVVHKZNYIRQKQV-GXFFZTMASA-N 1 2 248.330 0.736 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782619975 585822689 /nfs/dbraw/zinc/82/26/89/585822689.db2.gz JOMSDOATXYCMNX-SKDRFNHKSA-N 1 2 237.303 0.836 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782619975 585822690 /nfs/dbraw/zinc/82/26/90/585822690.db2.gz JOMSDOATXYCMNX-SKDRFNHKSA-N 1 2 237.303 0.836 20 0 BCADLO CNC(=O)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783147531 585828409 /nfs/dbraw/zinc/82/84/09/585828409.db2.gz JCTQMWINOIKNLQ-UHFFFAOYSA-N 1 2 239.250 0.613 20 0 BCADLO CC[N@H+](CCOC1CCC1)CCS(C)(=O)=O ZINC000805747317 585836217 /nfs/dbraw/zinc/83/62/17/585836217.db2.gz BFNASDZLEPFBMG-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@@H+](CCOC1CCC1)CCS(C)(=O)=O ZINC000805747317 585836218 /nfs/dbraw/zinc/83/62/18/585836218.db2.gz BFNASDZLEPFBMG-UHFFFAOYSA-N 1 2 249.376 0.922 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCCC1CC1 ZINC000783558223 585836542 /nfs/dbraw/zinc/83/65/42/585836542.db2.gz KSKUVMZGOIWKRO-UHFFFAOYSA-N 1 2 227.308 0.617 20 0 BCADLO CC[C@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000783651722 585839317 /nfs/dbraw/zinc/83/93/17/585839317.db2.gz LAVRFWSVYRXFGH-XHDPSFHLSA-N 1 2 232.393 0.781 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000783734898 585841065 /nfs/dbraw/zinc/84/10/65/585841065.db2.gz WTJUXKXVUUWRRD-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000783734898 585841066 /nfs/dbraw/zinc/84/10/66/585841066.db2.gz WTJUXKXVUUWRRD-SNVBAGLBSA-N 1 2 249.314 0.758 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000784147571 585851541 /nfs/dbraw/zinc/85/15/41/585851541.db2.gz LGGCOIDEFNYJEG-SSDOTTSWSA-N 1 2 240.332 0.408 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000784147571 585851542 /nfs/dbraw/zinc/85/15/42/585851542.db2.gz LGGCOIDEFNYJEG-SSDOTTSWSA-N 1 2 240.332 0.408 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000784355081 585856639 /nfs/dbraw/zinc/85/66/39/585856639.db2.gz YTKHUYPHVVACJY-GHMZBOCLSA-N 1 2 246.326 0.817 20 0 BCADLO Cn1nccc1CC(=O)OCCCn1cc[nH+]c1 ZINC000785009711 585869574 /nfs/dbraw/zinc/86/95/74/585869574.db2.gz GLCSTLSOZWIFGK-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO Cc1[nH]ncc1C(=O)OCC[NH+]1CCOCC1 ZINC000785588060 585876224 /nfs/dbraw/zinc/87/62/24/585876224.db2.gz BBVBIKUSARUCRN-UHFFFAOYSA-N 1 2 239.275 0.207 20 0 BCADLO COC/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000786602377 585895873 /nfs/dbraw/zinc/89/58/73/585895873.db2.gz IFXQJVZWVMQWGS-UFFNRZRYSA-N 1 2 243.303 0.453 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCC=CO1 ZINC000787055025 585900268 /nfs/dbraw/zinc/90/02/68/585900268.db2.gz VCFPFKWBPDTWPV-LLVKDONJSA-N 1 2 241.287 0.555 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+]1CCCNC(=O)C1 ZINC000787128311 585901874 /nfs/dbraw/zinc/90/18/74/585901874.db2.gz DZGOKXFBMCYLTN-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1nc(F)ccc1C[N@H+]1CCCNC(=O)C1 ZINC000787128311 585901875 /nfs/dbraw/zinc/90/18/75/585901875.db2.gz DZGOKXFBMCYLTN-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO O=C1C[N@H+](C[C@H](O)CC(F)(F)F)CCCN1 ZINC000787215895 585903097 /nfs/dbraw/zinc/90/30/97/585903097.db2.gz OMJGOGVVXFXIQH-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)CC(F)(F)F)CCCN1 ZINC000787215895 585903098 /nfs/dbraw/zinc/90/30/98/585903098.db2.gz OMJGOGVVXFXIQH-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C(F)F)CCO1 ZINC000787285337 585904978 /nfs/dbraw/zinc/90/49/78/585904978.db2.gz YHPUGACXXQPJNA-ZETCQYMHSA-N 1 2 222.235 0.088 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C(F)F)CCO1 ZINC000787285337 585904979 /nfs/dbraw/zinc/90/49/79/585904979.db2.gz YHPUGACXXQPJNA-ZETCQYMHSA-N 1 2 222.235 0.088 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000787455857 585909952 /nfs/dbraw/zinc/90/99/52/585909952.db2.gz WILCVORTKHOEJY-RXMQYKEDSA-N 1 2 215.203 0.648 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C(F)F ZINC000787455857 585909953 /nfs/dbraw/zinc/90/99/53/585909953.db2.gz WILCVORTKHOEJY-RXMQYKEDSA-N 1 2 215.203 0.648 20 0 BCADLO CC1(C)CN(C(=O)C(F)F)CC[N@@H+]1CCO ZINC000787562446 585911712 /nfs/dbraw/zinc/91/17/12/585911712.db2.gz PJVYVJIDORCRBZ-UHFFFAOYSA-N 1 2 236.262 0.167 20 0 BCADLO CC1(C)CN(C(=O)C(F)F)CC[N@H+]1CCO ZINC000787562446 585911713 /nfs/dbraw/zinc/91/17/13/585911713.db2.gz PJVYVJIDORCRBZ-UHFFFAOYSA-N 1 2 236.262 0.167 20 0 BCADLO OCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787686416 585913987 /nfs/dbraw/zinc/91/39/87/585913987.db2.gz IEWQDANECQYLKM-UHFFFAOYSA-N 1 2 227.691 0.836 20 0 BCADLO C[N@@H+]1CCN(CC[S@@](C)=O)C(C)(C)C1 ZINC000787731732 585914974 /nfs/dbraw/zinc/91/49/74/585914974.db2.gz UXZGSCWXGCWOKM-CQSZACIVSA-N 1 2 218.366 0.391 20 0 BCADLO C[N@H+]1CCN(CC[S@@](C)=O)C(C)(C)C1 ZINC000787731732 585914975 /nfs/dbraw/zinc/91/49/75/585914975.db2.gz UXZGSCWXGCWOKM-CQSZACIVSA-N 1 2 218.366 0.391 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH+]2CCOCC2)C1(F)F ZINC000787770408 585915875 /nfs/dbraw/zinc/91/58/75/585915875.db2.gz PZIRVQVEQGFDEU-YUMQZZPRSA-N 1 2 235.230 0.373 20 0 BCADLO CON(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000788262834 585919810 /nfs/dbraw/zinc/91/98/10/585919810.db2.gz YUUUZGFUINAWET-UHFFFAOYSA-N 1 2 216.281 0.117 20 0 BCADLO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC000788292314 585921286 /nfs/dbraw/zinc/92/12/86/585921286.db2.gz ZFXMNTJRZZLJGP-BQBZGAKWSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC000788292314 585921287 /nfs/dbraw/zinc/92/12/87/585921287.db2.gz ZFXMNTJRZZLJGP-BQBZGAKWSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292314 585921288 /nfs/dbraw/zinc/92/12/88/585921288.db2.gz ZFXMNTJRZZLJGP-BQBZGAKWSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292314 585921289 /nfs/dbraw/zinc/92/12/89/585921289.db2.gz ZFXMNTJRZZLJGP-BQBZGAKWSA-N 1 2 242.216 0.955 20 0 BCADLO CCc1cc(NC[C@@H]2CC(C(N)=O)=NO2)nc[nH+]1 ZINC000788552730 585926880 /nfs/dbraw/zinc/92/68/80/585926880.db2.gz OTXZQTPAARMCEC-QMMMGPOBSA-N 1 2 249.274 0.081 20 0 BCADLO COC(=O)CN1CC[NH+](C/C=C\Cl)CC1 ZINC000789404697 585942161 /nfs/dbraw/zinc/94/21/61/585942161.db2.gz IKWMPWCUAXQKOP-IHWYPQMZSA-N 1 2 232.711 0.530 20 0 BCADLO Cc1cc(CO[NH+]=C(N)[C@H]2CCCO2)nn1C ZINC000789605040 585945953 /nfs/dbraw/zinc/94/59/53/585945953.db2.gz DBZVXGASUWPLQY-SNVBAGLBSA-N 1 2 238.291 0.906 20 0 BCADLO CC1(CO[NH+]=C(N)[C@H]2CCCO2)COC1 ZINC000789610441 585946686 /nfs/dbraw/zinc/94/66/86/585946686.db2.gz OQZOQAZGBPQNAL-MRVPVSSYSA-N 1 2 214.265 0.700 20 0 BCADLO CCCCNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789627270 585947336 /nfs/dbraw/zinc/94/73/36/585947336.db2.gz MUQGPVRKOVJXMY-SECBINFHSA-N 1 2 243.307 0.580 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1CCOCC1 ZINC000789773164 585949827 /nfs/dbraw/zinc/94/98/27/585949827.db2.gz VHFBBIOICYSQRR-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO C[C@@H](C(=O)Nc1cn[nH]n1)[NH+]1CCSCC1 ZINC000789927490 585952881 /nfs/dbraw/zinc/95/28/81/585952881.db2.gz MHZIAJQNLPORNQ-ZETCQYMHSA-N 1 2 241.320 0.181 20 0 BCADLO Cc1n[nH]nc1C(=O)Nc1cc[nH+]cc1C ZINC000789935440 585954286 /nfs/dbraw/zinc/95/42/86/585954286.db2.gz JNKQPVXOVRFWRJ-UHFFFAOYSA-N 1 2 217.232 0.491 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)F ZINC000790131539 585958539 /nfs/dbraw/zinc/95/85/39/585958539.db2.gz JBXNCVCPFKRJOG-JTQLQIEISA-N 1 2 246.326 0.914 20 0 BCADLO COC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000790356701 585964175 /nfs/dbraw/zinc/96/41/75/585964175.db2.gz NNMZFBZDUXVNDE-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO C[C@@H]1CCSCC[N@@H+]1Cn1ncn(C)c1=O ZINC000790477448 585965335 /nfs/dbraw/zinc/96/53/35/585965335.db2.gz JZWUGEMEYUICSV-SECBINFHSA-N 1 2 242.348 0.367 20 0 BCADLO C[C@@H]1CCSCC[N@H+]1Cn1ncn(C)c1=O ZINC000790477448 585965336 /nfs/dbraw/zinc/96/53/36/585965336.db2.gz JZWUGEMEYUICSV-SECBINFHSA-N 1 2 242.348 0.367 20 0 BCADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000791010735 585972225 /nfs/dbraw/zinc/97/22/25/585972225.db2.gz JAJLMEMZCUUPSO-MRVPVSSYSA-N 1 2 247.306 0.890 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@@H](C2CC2)O1 ZINC000791552756 585983191 /nfs/dbraw/zinc/98/31/91/585983191.db2.gz KETJWOSPIFUHHV-ONGXEEELSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@@H](C2CC2)O1 ZINC000791552756 585983192 /nfs/dbraw/zinc/98/31/92/585983192.db2.gz KETJWOSPIFUHHV-ONGXEEELSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](CCF)CCO2 ZINC000791585717 585984421 /nfs/dbraw/zinc/98/44/21/585984421.db2.gz PDSSMLSJLZQUIU-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](CCF)CCO2 ZINC000791585717 585984422 /nfs/dbraw/zinc/98/44/22/585984422.db2.gz PDSSMLSJLZQUIU-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000791952625 585992457 /nfs/dbraw/zinc/99/24/57/585992457.db2.gz WPXSTHBKUZXIOW-UWVGGRQHSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000791952599 585992513 /nfs/dbraw/zinc/99/25/13/585992513.db2.gz WPXSTHBKUZXIOW-NXEZZACHSA-N 1 2 236.271 0.868 20 0 BCADLO Cc1cc(CC(=O)OCc2cc[nH+]c(N)c2)[nH]n1 ZINC000792011329 585993429 /nfs/dbraw/zinc/99/34/29/585993429.db2.gz OAQSECIIUPKCJK-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Cc1cc(CC(=O)OCc2cc[nH+]c(N)c2)n[nH]1 ZINC000792011329 585993430 /nfs/dbraw/zinc/99/34/30/585993430.db2.gz OAQSECIIUPKCJK-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCNC(=O)C2)cc[nH+]1 ZINC000792024146 585994029 /nfs/dbraw/zinc/99/40/29/585994029.db2.gz NJMHDJXWNVBRFY-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO C[C@@H](O)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000792052067 585994943 /nfs/dbraw/zinc/99/49/43/585994943.db2.gz ZAAXQJJFMILBAY-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO O=C(CC1OCCCO1)NCCn1cc[nH+]c1 ZINC000793044690 586009084 /nfs/dbraw/zinc/00/90/84/586009084.db2.gz IGOWMPXPFLAOPN-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)COCC1CC1 ZINC000793252819 586015160 /nfs/dbraw/zinc/01/51/60/586015160.db2.gz RQONILXAJOBYNA-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO CCCOCC(=O)OCCc1c[nH+]cn1C ZINC000793252825 586015228 /nfs/dbraw/zinc/01/52/28/586015228.db2.gz SANYGYMMMTVSBZ-UHFFFAOYSA-N 1 2 226.276 0.932 20 0 BCADLO Cn1cc(CC(=O)OCCc2c[nH+]cn2C)cn1 ZINC000793259383 586015315 /nfs/dbraw/zinc/01/53/15/586015315.db2.gz TZWRTSHTNAMICE-UHFFFAOYSA-N 1 2 248.286 0.482 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)c1ccco1 ZINC000793661909 586024784 /nfs/dbraw/zinc/02/47/84/586024784.db2.gz DZWZVAAURABCCV-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)c1ccco1 ZINC000793661909 586024785 /nfs/dbraw/zinc/02/47/85/586024785.db2.gz DZWZVAAURABCCV-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NN1CCCCC1 ZINC000793735770 586025514 /nfs/dbraw/zinc/02/55/14/586025514.db2.gz QKQQFJJEFTUXPK-UHFFFAOYSA-N 1 2 222.292 0.859 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NN1CCCCC1 ZINC000793735770 586025515 /nfs/dbraw/zinc/02/55/15/586025515.db2.gz QKQQFJJEFTUXPK-UHFFFAOYSA-N 1 2 222.292 0.859 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000793774064 586026158 /nfs/dbraw/zinc/02/61/58/586026158.db2.gz YOSONSICAXURES-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000793774064 586026159 /nfs/dbraw/zinc/02/61/59/586026159.db2.gz YOSONSICAXURES-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C)ncn1 ZINC000793826652 586027346 /nfs/dbraw/zinc/02/73/46/586027346.db2.gz AERXRSJBOPWYAM-QMMMGPOBSA-N 1 2 224.264 0.818 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C)ncn1 ZINC000793826651 586027353 /nfs/dbraw/zinc/02/73/53/586027353.db2.gz AERXRSJBOPWYAM-MRVPVSSYSA-N 1 2 224.264 0.818 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cn1cc(C(=O)OC)nn1 ZINC000793820879 586027365 /nfs/dbraw/zinc/02/73/65/586027365.db2.gz NCMBKIMDTIJESU-QMMMGPOBSA-N 1 2 224.264 0.507 20 0 BCADLO CC[C@H]1CC[N@H+]1Cn1cc(C(=O)OC)nn1 ZINC000793820879 586027366 /nfs/dbraw/zinc/02/73/66/586027366.db2.gz NCMBKIMDTIJESU-QMMMGPOBSA-N 1 2 224.264 0.507 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CCO)ncn1 ZINC000794450533 586039755 /nfs/dbraw/zinc/03/97/55/586039755.db2.gz QYMRBLQDWBKKJN-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H]2CCO)ncn1 ZINC000794450533 586039756 /nfs/dbraw/zinc/03/97/56/586039756.db2.gz QYMRBLQDWBKKJN-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC[C@H]2C)[nH]1 ZINC000794461763 586040172 /nfs/dbraw/zinc/04/01/72/586040172.db2.gz HKOJCYTXKLLXMO-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC[C@H]2C)[nH]1 ZINC000794461763 586040173 /nfs/dbraw/zinc/04/01/73/586040173.db2.gz HKOJCYTXKLLXMO-MRVPVSSYSA-N 1 2 210.281 0.724 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794585377 586045189 /nfs/dbraw/zinc/04/51/89/586045189.db2.gz OSVSKGLBHVWCQB-SNVBAGLBSA-N 1 2 238.291 0.566 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794585377 586045190 /nfs/dbraw/zinc/04/51/90/586045190.db2.gz OSVSKGLBHVWCQB-SNVBAGLBSA-N 1 2 238.291 0.566 20 0 BCADLO CC[N@H+](CC1CCC1)Cn1ncn(C)c1=O ZINC000794681799 586046527 /nfs/dbraw/zinc/04/65/27/586046527.db2.gz FFQPOZVCCMTZAP-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO CC[N@@H+](CC1CCC1)Cn1ncn(C)c1=O ZINC000794681799 586046528 /nfs/dbraw/zinc/04/65/28/586046528.db2.gz FFQPOZVCCMTZAP-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@]2(CCOC2)O1 ZINC000794707672 586047143 /nfs/dbraw/zinc/04/71/43/586047143.db2.gz WILSNXJXDBVDGX-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@]2(CCOC2)O1 ZINC000794707672 586047144 /nfs/dbraw/zinc/04/71/44/586047144.db2.gz WILSNXJXDBVDGX-MNOVXSKESA-N 1 2 238.291 0.115 20 0 BCADLO CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795127524 586069239 /nfs/dbraw/zinc/06/92/39/586069239.db2.gz BZVHSWXBJLERSS-ZJUUUORDSA-N 1 2 243.376 0.286 20 0 BCADLO NC(CN1CCOCC1)=[NH+]OCCCCF ZINC000795210498 586072244 /nfs/dbraw/zinc/07/22/44/586072244.db2.gz SOYDHIAHHLIVSI-UHFFFAOYSA-N 1 2 233.287 0.567 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)CC1OCCO1 ZINC000795547632 586084740 /nfs/dbraw/zinc/08/47/40/586084740.db2.gz GOEIOVWTURFGAQ-JTQLQIEISA-N 1 2 245.319 0.879 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CC1OCCO1 ZINC000795547632 586084742 /nfs/dbraw/zinc/08/47/42/586084742.db2.gz GOEIOVWTURFGAQ-JTQLQIEISA-N 1 2 245.319 0.879 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795699697 586091450 /nfs/dbraw/zinc/09/14/50/586091450.db2.gz PEWQSKALKOPNML-SECBINFHSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795699697 586091451 /nfs/dbraw/zinc/09/14/51/586091451.db2.gz PEWQSKALKOPNML-SECBINFHSA-N 1 2 213.277 0.991 20 0 BCADLO COC(=O)/C(C)=C\CN1CCc2[nH+]c[nH]c2C1 ZINC000859307965 589030129 /nfs/dbraw/zinc/03/01/29/589030129.db2.gz CSYSXJIDZQMKNP-OQFOIZHKSA-N 1 2 235.287 0.887 20 0 BCADLO CC[C@@](C)(OC)C(=O)OCC[NH+]1CCOCC1 ZINC000796400389 586102685 /nfs/dbraw/zinc/10/26/85/586102685.db2.gz XHUNUALJIIBZCT-GFCCVEGCSA-N 1 2 245.319 0.677 20 0 BCADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2CCO)n1 ZINC000796451559 586103861 /nfs/dbraw/zinc/10/38/61/586103861.db2.gz XWRYURALOBQTEI-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1nccc(C[N@H+]2CCOC[C@H]2CCO)n1 ZINC000796451559 586103862 /nfs/dbraw/zinc/10/38/62/586103862.db2.gz XWRYURALOBQTEI-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000796498906 586104986 /nfs/dbraw/zinc/10/49/86/586104986.db2.gz QCCQZDQJKAVTTE-RKDXNWHRSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000796498906 586104987 /nfs/dbraw/zinc/10/49/87/586104987.db2.gz QCCQZDQJKAVTTE-RKDXNWHRSA-N 1 2 241.287 0.575 20 0 BCADLO C[C@H]1C[N@H+](CCF)C[C@@]2(CCOC2)O1 ZINC000796555905 586106685 /nfs/dbraw/zinc/10/66/85/586106685.db2.gz MSJKUPZBDHVZGY-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@H]1C[N@@H+](CCF)C[C@@]2(CCOC2)O1 ZINC000796555905 586106686 /nfs/dbraw/zinc/10/66/86/586106686.db2.gz MSJKUPZBDHVZGY-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO C[N@H+](Cc1cnns1)C1(CO)CCC1 ZINC000859314691 589030425 /nfs/dbraw/zinc/03/04/25/589030425.db2.gz RGNWKOXJHFUILI-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[N@@H+](Cc1cnns1)C1(CO)CCC1 ZINC000859314691 589030426 /nfs/dbraw/zinc/03/04/26/589030426.db2.gz RGNWKOXJHFUILI-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO O=C(NCCF)c1ccc(-n2cc[nH+]c2)nc1 ZINC000798058426 586136083 /nfs/dbraw/zinc/13/60/83/586136083.db2.gz GSCAQEXEQISZCB-UHFFFAOYSA-N 1 2 234.234 0.967 20 0 BCADLO C[S@](=O)CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000798196218 586140123 /nfs/dbraw/zinc/14/01/23/586140123.db2.gz ISBHYSLPSUXVGE-IEVXNVSRSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000798196218 586140124 /nfs/dbraw/zinc/14/01/24/586140124.db2.gz ISBHYSLPSUXVGE-IEVXNVSRSA-N 1 2 244.360 0.108 20 0 BCADLO CC1=C(C(=O)N2CC[NH+](C)CC2)SCCO1 ZINC000798271305 586141993 /nfs/dbraw/zinc/14/19/93/586141993.db2.gz GKNWROJLNYJAOY-UHFFFAOYSA-N 1 2 242.344 0.755 20 0 BCADLO CC[N@H+](CC(=O)NC)C[C@@](C)(O)C(F)(F)F ZINC000799116660 586158481 /nfs/dbraw/zinc/15/84/81/586158481.db2.gz KFSAEDLLPBXRKT-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO CC[N@@H+](CC(=O)NC)C[C@@](C)(O)C(F)(F)F ZINC000799116660 586158483 /nfs/dbraw/zinc/15/84/83/586158483.db2.gz KFSAEDLLPBXRKT-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799324526 586172054 /nfs/dbraw/zinc/17/20/54/586172054.db2.gz SYIXIUMYIHRLEH-SKDRFNHKSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799324526 586172057 /nfs/dbraw/zinc/17/20/57/586172057.db2.gz SYIXIUMYIHRLEH-SKDRFNHKSA-N 1 2 240.278 0.975 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CC)[C@@H]1CCNC1=O ZINC000799353387 586173902 /nfs/dbraw/zinc/17/39/02/586173902.db2.gz NDKLOWRFEVDWRV-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CC)[C@@H]1CCNC1=O ZINC000799353387 586173904 /nfs/dbraw/zinc/17/39/04/586173904.db2.gz NDKLOWRFEVDWRV-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561417 586262356 /nfs/dbraw/zinc/26/23/56/586262356.db2.gz QTULTRDSHCRJIG-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561417 586262357 /nfs/dbraw/zinc/26/23/57/586262357.db2.gz QTULTRDSHCRJIG-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559416 586262633 /nfs/dbraw/zinc/26/26/33/586262633.db2.gz ILYNJGAORVNGEL-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559416 586262635 /nfs/dbraw/zinc/26/26/35/586262635.db2.gz ILYNJGAORVNGEL-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(C[N@@H+]1CCO[C@H](C(F)F)C1)OC ZINC000801564138 586263297 /nfs/dbraw/zinc/26/32/97/586263297.db2.gz XKQMALVRXLOAJQ-ZETCQYMHSA-N 1 2 225.235 0.571 20 0 BCADLO COC(C[N@H+]1CCO[C@H](C(F)F)C1)OC ZINC000801564138 586263298 /nfs/dbraw/zinc/26/32/98/586263298.db2.gz XKQMALVRXLOAJQ-ZETCQYMHSA-N 1 2 225.235 0.571 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1ccnn1C ZINC000801947163 586282774 /nfs/dbraw/zinc/28/27/74/586282774.db2.gz RZLIKPDDUIYQJI-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1ccnn1C ZINC000801947163 586282776 /nfs/dbraw/zinc/28/27/76/586282776.db2.gz RZLIKPDDUIYQJI-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801986607 586284929 /nfs/dbraw/zinc/28/49/29/586284929.db2.gz BLXBUBBLBFZAJJ-ZETCQYMHSA-N 1 2 238.234 0.320 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801986607 586284931 /nfs/dbraw/zinc/28/49/31/586284931.db2.gz BLXBUBBLBFZAJJ-ZETCQYMHSA-N 1 2 238.234 0.320 20 0 BCADLO COC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000802220642 586296108 /nfs/dbraw/zinc/29/61/08/586296108.db2.gz IAURFZBPPBUAHE-VIFPVBQESA-N 1 2 249.270 0.071 20 0 BCADLO CC[C@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802233569 586297733 /nfs/dbraw/zinc/29/77/33/586297733.db2.gz ZIFSNDKQAPVPLX-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802233569 586297735 /nfs/dbraw/zinc/29/77/35/586297735.db2.gz ZIFSNDKQAPVPLX-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802233571 586297738 /nfs/dbraw/zinc/29/77/38/586297738.db2.gz ZIFSNDKQAPVPLX-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802233571 586297740 /nfs/dbraw/zinc/29/77/40/586297740.db2.gz ZIFSNDKQAPVPLX-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCCOC1 ZINC000802235705 586298346 /nfs/dbraw/zinc/29/83/46/586298346.db2.gz BAHLVZGRDARUHL-QWRGUYRKSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCCOC1 ZINC000802235705 586298347 /nfs/dbraw/zinc/29/83/47/586298347.db2.gz BAHLVZGRDARUHL-QWRGUYRKSA-N 1 2 245.294 1.000 20 0 BCADLO CC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)COC1 ZINC000802244137 586299324 /nfs/dbraw/zinc/29/93/24/586299324.db2.gz LFWXDVVGSMBRHC-VIFPVBQESA-N 1 2 231.267 0.610 20 0 BCADLO CC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)COC1 ZINC000802244137 586299325 /nfs/dbraw/zinc/29/93/25/586299325.db2.gz LFWXDVVGSMBRHC-VIFPVBQESA-N 1 2 231.267 0.610 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@@H+]1CCCOCC1 ZINC000839984876 586326707 /nfs/dbraw/zinc/32/67/07/586326707.db2.gz YRKQNDBONGAUIJ-NWDGAFQWSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@H+]1CCCOCC1 ZINC000839984876 586326708 /nfs/dbraw/zinc/32/67/08/586326708.db2.gz YRKQNDBONGAUIJ-NWDGAFQWSA-N 1 2 238.331 0.925 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H](O)c1cccnc1 ZINC000803954811 586381230 /nfs/dbraw/zinc/38/12/30/586381230.db2.gz YSRKFAFQXHJGJN-NSHDSACASA-N 1 2 247.254 0.555 20 0 BCADLO COC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804437525 586394883 /nfs/dbraw/zinc/39/48/83/586394883.db2.gz DCPSMJWSCSDZTE-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO C[C@@H]1CN(CN2CCn3c[nH+]cc3C2)C(=O)[C@H]1C ZINC000840076105 586418261 /nfs/dbraw/zinc/41/82/61/586418261.db2.gz OJQKZKJHAAHSMQ-MNOVXSKESA-N 1 2 248.330 0.771 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ccc(F)cn1 ZINC000806786994 586418403 /nfs/dbraw/zinc/41/84/03/586418403.db2.gz BQRPOAAHDYASLH-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO O=C(Cc1ccc(F)cn1)NCc1c[nH+]c[nH]1 ZINC000806897654 586420279 /nfs/dbraw/zinc/42/02/79/586420279.db2.gz NCZBACYXHYFZFW-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO O=C(Cc1ccc(F)cn1)NCc1c[nH]c[nH+]1 ZINC000806897654 586420280 /nfs/dbraw/zinc/42/02/80/586420280.db2.gz NCZBACYXHYFZFW-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CC[C@@H](C)C1=O ZINC000840082487 586422507 /nfs/dbraw/zinc/42/25/07/586422507.db2.gz CNKZBKWDCVZUBW-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CC[C@@H](C)C1=O ZINC000840082487 586422508 /nfs/dbraw/zinc/42/25/08/586422508.db2.gz CNKZBKWDCVZUBW-ZJUUUORDSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CC(C)(C)CC1=O ZINC000840082879 586423001 /nfs/dbraw/zinc/42/30/01/586423001.db2.gz HSRZCGJEQKVZQF-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CC(C)(C)CC1=O ZINC000840082879 586423003 /nfs/dbraw/zinc/42/30/03/586423003.db2.gz HSRZCGJEQKVZQF-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO CC[NH2+]Cc1noc([C@H](C)NC(=O)OC)n1 ZINC000843144919 586436932 /nfs/dbraw/zinc/43/69/32/586436932.db2.gz ODBDFCCUYHMQEF-LURJTMIESA-N 1 2 228.252 0.596 20 0 BCADLO CC[NH2+]Cc1noc(COC[C@@H]2CCCO2)n1 ZINC000843145186 586440771 /nfs/dbraw/zinc/44/07/71/586440771.db2.gz GNKYWCCWMPHAMI-VIFPVBQESA-N 1 2 241.291 0.875 20 0 BCADLO C[N@H+](Cn1nnn(C2CC2)c1=O)CC(C)(C)C ZINC000808160031 586465571 /nfs/dbraw/zinc/46/55/71/586465571.db2.gz MFCFSZHPXZBAIH-UHFFFAOYSA-N 1 2 239.323 0.710 20 0 BCADLO C[N@@H+](Cn1nnn(C2CC2)c1=O)CC(C)(C)C ZINC000808160031 586465574 /nfs/dbraw/zinc/46/55/74/586465574.db2.gz MFCFSZHPXZBAIH-UHFFFAOYSA-N 1 2 239.323 0.710 20 0 BCADLO Cn1cnc(C[NH2+]CC(=O)NCc2ccco2)c1 ZINC000808377580 586470525 /nfs/dbraw/zinc/47/05/25/586470525.db2.gz WLTJOETYLPLYMI-UHFFFAOYSA-N 1 2 248.286 0.419 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cncc(OC)c1 ZINC000808711605 586483613 /nfs/dbraw/zinc/48/36/13/586483613.db2.gz MLDIGVVBGJXRGO-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cncc(OC)c1 ZINC000808711605 586483614 /nfs/dbraw/zinc/48/36/14/586483614.db2.gz MLDIGVVBGJXRGO-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)N(C)OC ZINC000808717013 586483917 /nfs/dbraw/zinc/48/39/17/586483917.db2.gz BRPVAYPGIZYLSG-UHFFFAOYSA-N 1 2 246.307 0.328 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](CCC(=O)C(C)C)CCO1 ZINC000808744819 586486556 /nfs/dbraw/zinc/48/65/56/586486556.db2.gz APZYRHYYAAWJDQ-LLVKDONJSA-N 1 2 242.319 0.048 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](CCC(=O)C(C)C)CCO1 ZINC000808744819 586486558 /nfs/dbraw/zinc/48/65/58/586486558.db2.gz APZYRHYYAAWJDQ-LLVKDONJSA-N 1 2 242.319 0.048 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000808741542 586486700 /nfs/dbraw/zinc/48/67/00/586486700.db2.gz IWHTVDIWWMWNDU-SECBINFHSA-N 1 2 244.360 0.504 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000808741542 586486701 /nfs/dbraw/zinc/48/67/01/586486701.db2.gz IWHTVDIWWMWNDU-SECBINFHSA-N 1 2 244.360 0.504 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)C(C)C ZINC000808750015 586487921 /nfs/dbraw/zinc/48/79/21/586487921.db2.gz IKWZLFKPFLHASM-UWVGGRQHSA-N 1 2 243.303 0.210 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)C(C)C ZINC000808750015 586487922 /nfs/dbraw/zinc/48/79/22/586487922.db2.gz IKWZLFKPFLHASM-UWVGGRQHSA-N 1 2 243.303 0.210 20 0 BCADLO O=c1[nH]nc(C2CC[NH+](CCF)CC2)[nH]1 ZINC000808755397 586488764 /nfs/dbraw/zinc/48/87/64/586488764.db2.gz NDRHWCHVRPUKHM-UHFFFAOYSA-N 1 2 214.244 0.659 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000808757488 586488951 /nfs/dbraw/zinc/48/89/51/586488951.db2.gz MPWJLUAFSMPOSV-SNVBAGLBSA-N 1 2 247.360 0.721 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000808757488 586488953 /nfs/dbraw/zinc/48/89/53/586488953.db2.gz MPWJLUAFSMPOSV-SNVBAGLBSA-N 1 2 247.360 0.721 20 0 BCADLO COCCC[N@H+](CCOC)Cc1cnn(C)n1 ZINC000809935291 586524620 /nfs/dbraw/zinc/52/46/20/586524620.db2.gz RDIYEIXUJQOWPQ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1cnn(C)n1 ZINC000809935291 586524621 /nfs/dbraw/zinc/52/46/21/586524621.db2.gz RDIYEIXUJQOWPQ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1cnn(C)n1 ZINC000809965997 586526749 /nfs/dbraw/zinc/52/67/49/586526749.db2.gz SPBBMHIRRZRGSI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1cnn(C)n1 ZINC000809965997 586526750 /nfs/dbraw/zinc/52/67/50/586526750.db2.gz SPBBMHIRRZRGSI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CCC1(CO)CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809969744 586527708 /nfs/dbraw/zinc/52/77/08/586527708.db2.gz ZSAJTCMDFFVCRN-UHFFFAOYSA-N 1 2 238.335 0.800 20 0 BCADLO COCC1([N@H+](C)Cc2cnn(C)n2)CC1 ZINC000809967851 586527752 /nfs/dbraw/zinc/52/77/52/586527752.db2.gz JFQCFAIJWZGMPT-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC1([N@@H+](C)Cc2cnn(C)n2)CC1 ZINC000809967851 586527753 /nfs/dbraw/zinc/52/77/53/586527753.db2.gz JFQCFAIJWZGMPT-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[NH2+][C@H](CCO)c2ccco2)n1 ZINC000809978782 586528138 /nfs/dbraw/zinc/52/81/38/586528138.db2.gz HCWGAJIKNHIMLD-SNVBAGLBSA-N 1 2 236.275 0.621 20 0 BCADLO Cn1ncc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000809977049 586528285 /nfs/dbraw/zinc/52/82/85/586528285.db2.gz OVRLVWQVTFOEOC-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000809977049 586528286 /nfs/dbraw/zinc/52/82/86/586528286.db2.gz OVRLVWQVTFOEOC-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000809984976 586528507 /nfs/dbraw/zinc/52/85/07/586528507.db2.gz CZAWPMSDDWYKMH-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000809984976 586528509 /nfs/dbraw/zinc/52/85/09/586528509.db2.gz CZAWPMSDDWYKMH-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809985646 586529041 /nfs/dbraw/zinc/52/90/41/586529041.db2.gz RPZHYRVIZFAITP-WPRPVWTQSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809985646 586529043 /nfs/dbraw/zinc/52/90/43/586529043.db2.gz RPZHYRVIZFAITP-WPRPVWTQSA-N 1 2 238.291 0.199 20 0 BCADLO Cn1ncc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000809991194 586529613 /nfs/dbraw/zinc/52/96/13/586529613.db2.gz ZTSLYEWEXOQXHJ-UHFFFAOYSA-N 1 2 231.259 0.862 20 0 BCADLO Cn1nncc1CO[NH+]=C(N)Cc1cccnc1 ZINC000809997892 586529838 /nfs/dbraw/zinc/52/98/38/586529838.db2.gz IOBHAJQTVPVKHK-UHFFFAOYSA-N 1 2 246.274 0.451 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+](CCO)C[C@@H](C)O ZINC000810040906 586531767 /nfs/dbraw/zinc/53/17/67/586531767.db2.gz DEHVFGJFHSIAKA-MNOVXSKESA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+](CCO)C[C@@H](C)O ZINC000810040906 586531768 /nfs/dbraw/zinc/53/17/68/586531768.db2.gz DEHVFGJFHSIAKA-MNOVXSKESA-N 1 2 247.335 0.393 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C[C@H](C)O)s1 ZINC000810040787 586532107 /nfs/dbraw/zinc/53/21/07/586532107.db2.gz BNAGTEFWPMYKBO-QMMMGPOBSA-N 1 2 230.333 0.627 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C[C@H](C)O)s1 ZINC000810040787 586532108 /nfs/dbraw/zinc/53/21/08/586532108.db2.gz BNAGTEFWPMYKBO-QMMMGPOBSA-N 1 2 230.333 0.627 20 0 BCADLO C[C@@]1([NH2+]CCOC[C@H]2CCCO2)CCOC1=O ZINC000810095669 586533894 /nfs/dbraw/zinc/53/38/94/586533894.db2.gz STVGLSBEDQYJEM-ZYHUDNBSSA-N 1 2 243.303 0.477 20 0 BCADLO C[C@]1([NH2+]CCO[C@H]2CCCCO2)CCOC1=O ZINC000810094704 586533974 /nfs/dbraw/zinc/53/39/74/586533974.db2.gz ZCIHTJNUSLLKNI-JQWIXIFHSA-N 1 2 243.303 0.825 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](F)C(F)(F)F ZINC000810378158 586538727 /nfs/dbraw/zinc/53/87/27/586538727.db2.gz PGDXVJOBJYQBLV-ZCFIWIBFSA-N 1 2 239.172 0.969 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000811494779 586560027 /nfs/dbraw/zinc/56/00/27/586560027.db2.gz XJBNVHGAZFWDDF-KOLCDFICSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000811494779 586560028 /nfs/dbraw/zinc/56/00/28/586560028.db2.gz XJBNVHGAZFWDDF-KOLCDFICSA-N 1 2 207.277 0.532 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cocn1 ZINC000811588400 586561890 /nfs/dbraw/zinc/56/18/90/586561890.db2.gz JPLVVZICLNAIDL-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCCO2)CCO1 ZINC000812020994 586569622 /nfs/dbraw/zinc/56/96/22/586569622.db2.gz QAEJTXNZRMBYNF-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCCO2)CCO1 ZINC000812020994 586569623 /nfs/dbraw/zinc/56/96/23/586569623.db2.gz QAEJTXNZRMBYNF-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOC/C=C/Cl ZINC000812405379 586576136 /nfs/dbraw/zinc/57/61/36/586576136.db2.gz XIRUYBZFZLKQND-NSCUHMNNSA-N 1 2 229.667 0.763 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOC/C=C\Cl ZINC000812405378 586576167 /nfs/dbraw/zinc/57/61/67/586576167.db2.gz XIRUYBZFZLKQND-IHWYPQMZSA-N 1 2 229.667 0.763 20 0 BCADLO CC(C)OCCONC(=O)CCc1c[nH+]c[nH]1 ZINC000812804142 586586694 /nfs/dbraw/zinc/58/66/94/586586694.db2.gz BPMVZXSOIXAEOS-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO CC(C)OCCONC(=O)CCc1c[nH]c[nH+]1 ZINC000812804142 586586695 /nfs/dbraw/zinc/58/66/95/586586695.db2.gz BPMVZXSOIXAEOS-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000814172765 586615366 /nfs/dbraw/zinc/61/53/66/586615366.db2.gz CCUBXGCNTYUDJO-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000814172765 586615365 /nfs/dbraw/zinc/61/53/65/586615365.db2.gz CCUBXGCNTYUDJO-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000815574937 586687778 /nfs/dbraw/zinc/68/77/78/586687778.db2.gz GWMMAFHWPZGIBC-JTQLQIEISA-N 1 2 247.298 0.667 20 0 BCADLO CCn1ncc(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000816030254 586704622 /nfs/dbraw/zinc/70/46/22/586704622.db2.gz IUBJMIFIUYCQQW-UHFFFAOYSA-N 1 2 249.274 0.431 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccncc1 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/nfs/dbraw/zinc/08/91/74/589089174.db2.gz JJMPSEXQKJUTHS-SNVBAGLBSA-N 1 2 239.262 0.963 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000822997419 587197291 /nfs/dbraw/zinc/19/72/91/587197291.db2.gz KLSWNSPZDHGBHY-SNVBAGLBSA-N 1 2 239.319 0.833 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000823200090 587208038 /nfs/dbraw/zinc/20/80/38/587208038.db2.gz OOOBSNPFBSNLBY-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CCS(C)(=O)=O ZINC000823200090 587208033 /nfs/dbraw/zinc/20/80/33/587208033.db2.gz OOOBSNPFBSNLBY-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CCS(C)(=O)=O ZINC000823200090 587208035 /nfs/dbraw/zinc/20/80/35/587208035.db2.gz OOOBSNPFBSNLBY-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1CCS(C)(=O)=O ZINC000823200090 587208036 /nfs/dbraw/zinc/20/80/36/587208036.db2.gz OOOBSNPFBSNLBY-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CCS(C)(=O)=O ZINC000823200091 587208379 /nfs/dbraw/zinc/20/83/79/587208379.db2.gz OOOBSNPFBSNLBY-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CCS(C)(=O)=O ZINC000823200091 587208381 /nfs/dbraw/zinc/20/83/81/587208381.db2.gz OOOBSNPFBSNLBY-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1CCS(C)(=O)=O ZINC000823200091 587208383 /nfs/dbraw/zinc/20/83/83/587208383.db2.gz OOOBSNPFBSNLBY-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000823200091 587208384 /nfs/dbraw/zinc/20/83/84/587208384.db2.gz OOOBSNPFBSNLBY-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823264234 587212325 /nfs/dbraw/zinc/21/23/25/587212325.db2.gz FWEHKWZOIRSDQB-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO CC(C)ONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823302561 587214853 /nfs/dbraw/zinc/21/48/53/587214853.db2.gz PBDRHNATZVNODJ-HTQZYQBOSA-N 1 2 209.249 0.969 20 0 BCADLO CCN(C[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823306035 587215482 /nfs/dbraw/zinc/21/54/82/587215482.db2.gz PKUVUZJHIXWJSA-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cn(C)nn1 ZINC000823497407 587227763 /nfs/dbraw/zinc/22/77/63/587227763.db2.gz XRYICWSLZMJQTI-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cn(C)nn1 ZINC000823497407 587227764 /nfs/dbraw/zinc/22/77/64/587227764.db2.gz XRYICWSLZMJQTI-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H]2COCO2)[nH+]1 ZINC000823559338 587231177 /nfs/dbraw/zinc/23/11/77/587231177.db2.gz VAHYGQQDUJFLFS-VIFPVBQESA-N 1 2 239.275 0.004 20 0 BCADLO CC(C(=O)NCC[NH+]1CCOCC1)=C1CCC1 ZINC000823568895 587231535 /nfs/dbraw/zinc/23/15/35/587231535.db2.gz OCGGXBDQUDEYOB-UHFFFAOYSA-N 1 2 238.331 0.935 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823633683 587233633 /nfs/dbraw/zinc/23/36/33/587233633.db2.gz BQQCLTNNUYBTKW-SKDRFNHKSA-N 1 2 237.303 0.475 20 0 BCADLO Cc1[nH]ncc1CN(C)C(=O)C[NH+]1CCCC1 ZINC000824057592 587252542 /nfs/dbraw/zinc/25/25/42/587252542.db2.gz UKLXTZXGLFVZIX-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC[C@H]2COC)n1 ZINC000824432746 587270728 /nfs/dbraw/zinc/27/07/28/587270728.db2.gz AXDZAJFPFOGWFQ-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC[C@H]2COC)n1 ZINC000824432746 587270729 /nfs/dbraw/zinc/27/07/29/587270729.db2.gz AXDZAJFPFOGWFQ-JTQLQIEISA-N 1 2 224.308 0.827 20 0 BCADLO COc1cncc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000824613009 587279223 /nfs/dbraw/zinc/27/92/23/587279223.db2.gz GZNKRDQBNGKYEX-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC/C=C\CO)c1 ZINC000824942013 587294151 /nfs/dbraw/zinc/29/41/51/587294151.db2.gz UAONGIDXOLFXKY-AWYLAFAOSA-N 1 2 221.260 0.098 20 0 BCADLO C[C@@H](C[NH2+]CC1CCN(C(=O)[O-])CC1)[NH+](C)C ZINC000824974197 587295961 /nfs/dbraw/zinc/29/59/61/587295961.db2.gz UXZBGEREVDZRMS-JTQLQIEISA-N 1 2 243.351 0.916 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825005851 587298224 /nfs/dbraw/zinc/29/82/24/587298224.db2.gz DOOBUSHYALUDIZ-MRVPVSSYSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825005851 587298225 /nfs/dbraw/zinc/29/82/25/587298225.db2.gz DOOBUSHYALUDIZ-MRVPVSSYSA-N 1 2 249.274 0.680 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825514045 587322511 /nfs/dbraw/zinc/32/25/11/587322511.db2.gz XPPDBMPYELQLKE-KHQFGBGNSA-N 1 2 221.260 0.479 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000825543580 587324395 /nfs/dbraw/zinc/32/43/95/587324395.db2.gz YWOQTBZXYVKDMF-BDAKNGLRSA-N 1 2 240.307 0.793 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cnn2c1CCC2 ZINC000825628883 587328015 /nfs/dbraw/zinc/32/80/15/587328015.db2.gz MFKWBIQZXDIIAF-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cnn2c1CCC2 ZINC000825628883 587328017 /nfs/dbraw/zinc/32/80/17/587328017.db2.gz MFKWBIQZXDIIAF-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000825931815 587345925 /nfs/dbraw/zinc/34/59/25/587345925.db2.gz NIPFFKQKIGLKMW-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000825931815 587345927 /nfs/dbraw/zinc/34/59/27/587345927.db2.gz NIPFFKQKIGLKMW-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000826041272 587349149 /nfs/dbraw/zinc/34/91/49/587349149.db2.gz GQOKACCDNISFQF-WDEREUQCSA-N 1 2 243.351 0.962 20 0 BCADLO CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000826041272 587349150 /nfs/dbraw/zinc/34/91/50/587349150.db2.gz GQOKACCDNISFQF-WDEREUQCSA-N 1 2 243.351 0.962 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826050085 587349261 /nfs/dbraw/zinc/34/92/61/587349261.db2.gz RNZRUWFNMYLTST-BBBLOLIVSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826050085 587349262 /nfs/dbraw/zinc/34/92/62/587349262.db2.gz RNZRUWFNMYLTST-BBBLOLIVSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047521 587349364 /nfs/dbraw/zinc/34/93/64/587349364.db2.gz DTOFJVYKDKORRD-ONGXEEELSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047521 587349365 /nfs/dbraw/zinc/34/93/65/587349365.db2.gz DTOFJVYKDKORRD-ONGXEEELSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049919 587349367 /nfs/dbraw/zinc/34/93/67/587349367.db2.gz PGRRYBHEVZBSQA-MWLCHTKSSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049919 587349368 /nfs/dbraw/zinc/34/93/68/587349368.db2.gz PGRRYBHEVZBSQA-MWLCHTKSSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CNC(=O)[O-])C1CC1 ZINC000826049624 587349408 /nfs/dbraw/zinc/34/94/08/587349408.db2.gz NPBZVNAZRQPIRQ-DVVUODLYSA-N 1 2 241.335 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CNC(=O)[O-])C1CC1 ZINC000826049624 587349409 /nfs/dbraw/zinc/34/94/09/587349409.db2.gz NPBZVNAZRQPIRQ-DVVUODLYSA-N 1 2 241.335 0.572 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)[O-])C1 ZINC000826047893 587349437 /nfs/dbraw/zinc/34/94/37/587349437.db2.gz GKGZXKPVOLZNAT-GMTAPVOTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)[O-])C1 ZINC000826047893 587349438 /nfs/dbraw/zinc/34/94/38/587349438.db2.gz GKGZXKPVOLZNAT-GMTAPVOTSA-N 1 2 241.335 0.669 20 0 BCADLO Cc1cc[nH+]c(NC2(CO)CC2)c1-c1nn[nH]n1 ZINC000826311850 587352273 /nfs/dbraw/zinc/35/22/73/587352273.db2.gz PRFUIBHAUTUFMD-UHFFFAOYSA-N 1 2 246.274 0.507 20 0 BCADLO c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CCCOCC1 ZINC000826515332 587353182 /nfs/dbraw/zinc/35/31/82/587353182.db2.gz VLZADGSIBRJFNK-UHFFFAOYSA-N 1 2 249.274 0.682 20 0 BCADLO c1cc(-c2nn[nH]n2)oc1C[N@H+]1CCCOCC1 ZINC000826515332 587353183 /nfs/dbraw/zinc/35/31/83/587353183.db2.gz VLZADGSIBRJFNK-UHFFFAOYSA-N 1 2 249.274 0.682 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826577483 587355508 /nfs/dbraw/zinc/35/55/08/587355508.db2.gz XVZFGEPOWHJIBI-PRANIUCASA-N 1 2 235.287 0.727 20 0 BCADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CO ZINC000826709298 587359758 /nfs/dbraw/zinc/35/97/58/587359758.db2.gz JYCGOLMUERXNAF-NSHDSACASA-N 1 2 220.272 0.282 20 0 BCADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CO ZINC000826709298 587359759 /nfs/dbraw/zinc/35/97/59/587359759.db2.gz JYCGOLMUERXNAF-NSHDSACASA-N 1 2 220.272 0.282 20 0 BCADLO CC1=NO[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000826834619 587363767 /nfs/dbraw/zinc/36/37/67/587363767.db2.gz UYNKGRGAMOCQDI-MRVPVSSYSA-N 1 2 222.248 0.533 20 0 BCADLO CCN(CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827130394 587370646 /nfs/dbraw/zinc/37/06/46/587370646.db2.gz VPLVTFIFFNOUMF-WDEREUQCSA-N 1 2 243.351 0.916 20 0 BCADLO CCN(CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827130394 587370647 /nfs/dbraw/zinc/37/06/47/587370647.db2.gz VPLVTFIFFNOUMF-WDEREUQCSA-N 1 2 243.351 0.916 20 0 BCADLO CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198966 587372641 /nfs/dbraw/zinc/37/26/41/587372641.db2.gz MQYLTAQOXVTBNT-ZJUUUORDSA-N 1 2 243.351 0.962 20 0 BCADLO CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198966 587372642 /nfs/dbraw/zinc/37/26/42/587372642.db2.gz MQYLTAQOXVTBNT-ZJUUUORDSA-N 1 2 243.351 0.962 20 0 BCADLO Cc1cc(NC(=O)[C@H](O)C2CC2)cc[nH+]1 ZINC000827390643 587379366 /nfs/dbraw/zinc/37/93/66/587379366.db2.gz ZOCCIHFRSCBGFK-SNVBAGLBSA-N 1 2 206.245 0.521 20 0 BCADLO COCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000827414145 587380548 /nfs/dbraw/zinc/38/05/48/587380548.db2.gz QDUIJXJYUONMAL-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000827612390 587392323 /nfs/dbraw/zinc/39/23/23/587392323.db2.gz FLNGJHNAISTMAB-LLVKDONJSA-N 1 2 223.276 0.495 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827680630 587396090 /nfs/dbraw/zinc/39/60/90/587396090.db2.gz VALGYDYBWYURQB-PETBKVMHSA-N 1 2 235.287 0.727 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOc1cccnc1 ZINC000827779605 587402085 /nfs/dbraw/zinc/40/20/85/587402085.db2.gz IXHBGAQRRNUXKA-UHFFFAOYSA-N 1 2 246.270 0.542 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CC[C@H](C)O)CCO1 ZINC000827877206 587407071 /nfs/dbraw/zinc/40/70/71/587407071.db2.gz DSLJKKNVFDKLJG-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CC[C@H](C)O)CCO1 ZINC000827877206 587407072 /nfs/dbraw/zinc/40/70/72/587407072.db2.gz DSLJKKNVFDKLJG-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO c1ncc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000827885348 587407589 /nfs/dbraw/zinc/40/75/89/587407589.db2.gz XZUDEAZUMBPBDC-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO c1ncc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000827885348 587407591 /nfs/dbraw/zinc/40/75/91/587407591.db2.gz XZUDEAZUMBPBDC-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000827925345 587407698 /nfs/dbraw/zinc/40/76/98/587407698.db2.gz UJDQKIMCVFSIRQ-RNCFNFMXSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC[S@](C)=O ZINC000827925345 587407699 /nfs/dbraw/zinc/40/76/99/587407699.db2.gz UJDQKIMCVFSIRQ-RNCFNFMXSA-N 1 2 205.323 0.476 20 0 BCADLO CC(C)(C)OC(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827916216 587410168 /nfs/dbraw/zinc/41/01/68/587410168.db2.gz HSVLZZXVFITWGM-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N=S(C)(C)=O)c1 ZINC000828008971 587415902 /nfs/dbraw/zinc/41/59/02/587415902.db2.gz AHQSBEYCMHCECF-SNAWJCMRSA-N 1 2 227.289 0.688 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC[S@@](C)=O)CC2 ZINC000828211173 587424038 /nfs/dbraw/zinc/42/40/38/587424038.db2.gz IEIICIIVIDWZIP-OAHLLOKOSA-N 1 2 227.333 0.386 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC000828282255 587431274 /nfs/dbraw/zinc/43/12/74/587431274.db2.gz WSCPISUOSJUXGT-PZIAFJOJSA-N 1 2 235.287 0.463 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000828360548 587438547 /nfs/dbraw/zinc/43/85/47/587438547.db2.gz CWVGGDPYRRGCIP-QMMMGPOBSA-N 1 2 208.221 0.191 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000828360548 587438549 /nfs/dbraw/zinc/43/85/49/587438549.db2.gz CWVGGDPYRRGCIP-QMMMGPOBSA-N 1 2 208.221 0.191 20 0 BCADLO C[C@H](CNC(=O)Cc1ncc[nH]1)Cn1cc[nH+]c1 ZINC000828402816 587440262 /nfs/dbraw/zinc/44/02/62/587440262.db2.gz GDNOOYGOZLPWDI-SNVBAGLBSA-N 1 2 247.302 0.601 20 0 BCADLO Cc1c(C[N@H+](C)CC[S@@](C)=O)cnn1C ZINC000828444903 587442646 /nfs/dbraw/zinc/44/26/46/587442646.db2.gz SNVFRBSMOYKPKG-OAHLLOKOSA-N 1 2 229.349 0.539 20 0 BCADLO Cc1c(C[N@@H+](C)CC[S@@](C)=O)cnn1C ZINC000828444903 587442648 /nfs/dbraw/zinc/44/26/48/587442648.db2.gz SNVFRBSMOYKPKG-OAHLLOKOSA-N 1 2 229.349 0.539 20 0 BCADLO Cc1ccc(C[N@H+](CCO)CC[S@](C)=O)o1 ZINC000828457569 587443351 /nfs/dbraw/zinc/44/33/51/587443351.db2.gz VFSKDAIMAWMBOW-INIZCTEOSA-N 1 2 245.344 0.761 20 0 BCADLO Cc1ccc(C[N@@H+](CCO)CC[S@](C)=O)o1 ZINC000828457569 587443352 /nfs/dbraw/zinc/44/33/52/587443352.db2.gz VFSKDAIMAWMBOW-INIZCTEOSA-N 1 2 245.344 0.761 20 0 BCADLO C[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828480254 587445012 /nfs/dbraw/zinc/44/50/12/587445012.db2.gz FNHZZUIFGDAVDD-NSHDSACASA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828480254 587445013 /nfs/dbraw/zinc/44/50/13/587445013.db2.gz FNHZZUIFGDAVDD-NSHDSACASA-N 1 2 241.335 0.813 20 0 BCADLO C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000828482571 587445187 /nfs/dbraw/zinc/44/51/87/587445187.db2.gz ZUCCPMOTMDQFSK-UWVGGRQHSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000828482571 587445189 /nfs/dbraw/zinc/44/51/89/587445189.db2.gz ZUCCPMOTMDQFSK-UWVGGRQHSA-N 1 2 227.308 0.423 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]2CCO[C@@H]21 ZINC000828547655 587450459 /nfs/dbraw/zinc/45/04/59/587450459.db2.gz PVEINTRCPGDRGP-FXAINCCUSA-N 1 2 249.314 0.882 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCSC1 ZINC000828973200 587476859 /nfs/dbraw/zinc/47/68/59/587476859.db2.gz GLUXLHGABLYKTH-ZETCQYMHSA-N 1 2 211.290 0.574 20 0 BCADLO CCN1CC[N@H+](CC[S@](C)=O)C(C)(C)C1=O ZINC000828987578 587477802 /nfs/dbraw/zinc/47/78/02/587477802.db2.gz IAWWQFUHFULFLC-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO CCN1CC[N@@H+](CC[S@](C)=O)C(C)(C)C1=O ZINC000828987578 587477803 /nfs/dbraw/zinc/47/78/03/587477803.db2.gz IAWWQFUHFULFLC-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC[S@@](C)=O ZINC000828992717 587478174 /nfs/dbraw/zinc/47/81/74/587478174.db2.gz XQOLREBKSXHKBX-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC[S@@](C)=O ZINC000828992717 587478175 /nfs/dbraw/zinc/47/81/75/587478175.db2.gz XQOLREBKSXHKBX-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000829107696 587483151 /nfs/dbraw/zinc/48/31/51/587483151.db2.gz RONQPKQZIZBEDY-QFYYESIMSA-N 1 2 246.376 0.211 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000829107696 587483152 /nfs/dbraw/zinc/48/31/52/587483152.db2.gz RONQPKQZIZBEDY-QFYYESIMSA-N 1 2 246.376 0.211 20 0 BCADLO COC(=O)[C@H](C)[N@H+](CC[S@@](C)=O)C1CCC1 ZINC000829166197 587485816 /nfs/dbraw/zinc/48/58/16/587485816.db2.gz PSYWBHKHMODZPZ-XXFAHNHDSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](CC[S@@](C)=O)C1CCC1 ZINC000829166197 587485818 /nfs/dbraw/zinc/48/58/18/587485818.db2.gz PSYWBHKHMODZPZ-XXFAHNHDSA-N 1 2 247.360 0.781 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCF)C2)O1 ZINC000829438935 587496942 /nfs/dbraw/zinc/49/69/42/587496942.db2.gz UCDMEMNGBCOBTP-SSDOTTSWSA-N 1 2 215.228 0.924 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@H+](CCF)C2)O1 ZINC000829438935 587496944 /nfs/dbraw/zinc/49/69/44/587496944.db2.gz UCDMEMNGBCOBTP-SSDOTTSWSA-N 1 2 215.228 0.924 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCF)C2)o1 ZINC000829438935 587496946 /nfs/dbraw/zinc/49/69/46/587496946.db2.gz UCDMEMNGBCOBTP-SSDOTTSWSA-N 1 2 215.228 0.924 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCF)C2)o1 ZINC000829438935 587496947 /nfs/dbraw/zinc/49/69/47/587496947.db2.gz UCDMEMNGBCOBTP-SSDOTTSWSA-N 1 2 215.228 0.924 20 0 BCADLO CC[C@@H](C)[N@H+](CC[S@@](C)=O)CC(=O)OC ZINC000829444090 587497525 /nfs/dbraw/zinc/49/75/25/587497525.db2.gz UXMFZUKKFIUNAO-RFAUZJTJSA-N 1 2 235.349 0.638 20 0 BCADLO CC[C@@H](C)[N@@H+](CC[S@@](C)=O)CC(=O)OC ZINC000829444090 587497527 /nfs/dbraw/zinc/49/75/27/587497527.db2.gz UXMFZUKKFIUNAO-RFAUZJTJSA-N 1 2 235.349 0.638 20 0 BCADLO C[C@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472788 587499434 /nfs/dbraw/zinc/49/94/34/587499434.db2.gz SACMBCQELITLFJ-WCBMZHEXSA-N 1 2 234.303 0.923 20 0 BCADLO C[C@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472788 587499435 /nfs/dbraw/zinc/49/94/35/587499435.db2.gz SACMBCQELITLFJ-WCBMZHEXSA-N 1 2 234.303 0.923 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829767226 587514694 /nfs/dbraw/zinc/51/46/94/587514694.db2.gz DJOYPDJNURMGQK-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000829826865 587520749 /nfs/dbraw/zinc/52/07/49/587520749.db2.gz UBNZEGMODPPQTM-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000829907630 587527712 /nfs/dbraw/zinc/52/77/12/587527712.db2.gz GEEIAGYLNFWECT-VIFPVBQESA-N 1 2 223.276 0.182 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1(C(F)F)CC1 ZINC000830019910 587531344 /nfs/dbraw/zinc/53/13/44/587531344.db2.gz YHSKGRCITMRYDS-UHFFFAOYSA-N 1 2 249.257 0.907 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C2(CO)CCC2)n1 ZINC000830008694 587532019 /nfs/dbraw/zinc/53/20/19/587532019.db2.gz HQLNDCUZYHODIH-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000830008694 587532020 /nfs/dbraw/zinc/53/20/20/587532020.db2.gz HQLNDCUZYHODIH-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000830109105 587536594 /nfs/dbraw/zinc/53/65/94/587536594.db2.gz FSZJXHHKKYNQNJ-GHMZBOCLSA-N 1 2 240.307 0.110 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)OCC(C)C ZINC000830148374 587539359 /nfs/dbraw/zinc/53/93/59/587539359.db2.gz SWYVFMIYBVSZSL-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)OCC(C)C ZINC000830148374 587539361 /nfs/dbraw/zinc/53/93/61/587539361.db2.gz SWYVFMIYBVSZSL-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CC(C)[N@H+](CC[S@@](C)=O)C1COC1 ZINC000830221637 587542278 /nfs/dbraw/zinc/54/22/78/587542278.db2.gz UNIPKLSFOMSWOD-CYBMUJFWSA-N 1 2 205.323 0.474 20 0 BCADLO CC(C)[N@@H+](CC[S@@](C)=O)C1COC1 ZINC000830221637 587542280 /nfs/dbraw/zinc/54/22/80/587542280.db2.gz UNIPKLSFOMSWOD-CYBMUJFWSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000830223081 587542369 /nfs/dbraw/zinc/54/23/69/587542369.db2.gz NHFAMQZLOFTJIB-YUPSMKLTSA-N 1 2 235.287 0.584 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830241866 587543491 /nfs/dbraw/zinc/54/34/91/587543491.db2.gz BOVSUVCXISVMMX-BDAKNGLRSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](C[C@H](C)CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830393825 587548643 /nfs/dbraw/zinc/54/86/43/587548643.db2.gz SGVCGHJBDKXJHQ-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000830623457 587561121 /nfs/dbraw/zinc/56/11/21/587561121.db2.gz RRMPYOSPZAFAAG-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000830623457 587561123 /nfs/dbraw/zinc/56/11/23/587561123.db2.gz RRMPYOSPZAFAAG-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO COC1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000830843449 587573351 /nfs/dbraw/zinc/57/33/51/587573351.db2.gz DUFSQSKYYGONNM-UHFFFAOYSA-N 1 2 229.276 0.041 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC12CCC2 ZINC000830857223 587574142 /nfs/dbraw/zinc/57/41/42/587574142.db2.gz UKGFZAWLVZZTGB-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000830890851 587575264 /nfs/dbraw/zinc/57/52/64/587575264.db2.gz RLXRDACUDUYIFR-MNOVXSKESA-N 1 2 249.314 0.837 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000831154770 587588060 /nfs/dbraw/zinc/58/80/60/587588060.db2.gz GUYCNCMUEQHABZ-TUAOUCFPSA-N 1 2 247.298 0.590 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000831269458 587594846 /nfs/dbraw/zinc/59/48/46/587594846.db2.gz PZYGORSBPOMPCR-CBAPKCEASA-N 1 2 225.292 0.997 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831316877 587597667 /nfs/dbraw/zinc/59/76/67/587597667.db2.gz CTLRHIVZAUTKQU-RKDXNWHRSA-N 1 2 225.292 0.618 20 0 BCADLO CCON(CC)C(=O)Cc1c[nH+]cn1C ZINC000831467570 587611429 /nfs/dbraw/zinc/61/14/29/587611429.db2.gz RPWKDWLKQOFFPP-UHFFFAOYSA-N 1 2 211.265 0.763 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831520550 587616211 /nfs/dbraw/zinc/61/62/11/587616211.db2.gz WQSRCGVOHHWFJK-MRVPVSSYSA-N 1 2 211.265 0.085 20 0 BCADLO CCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000831667626 587627044 /nfs/dbraw/zinc/62/70/44/587627044.db2.gz AHARDWMFPKVQEI-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000831959083 587639217 /nfs/dbraw/zinc/63/92/17/587639217.db2.gz ZGSNAFIXDXVQCQ-NSHDSACASA-N 1 2 241.335 0.814 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000831958905 587639368 /nfs/dbraw/zinc/63/93/68/587639368.db2.gz VKFKJVRFWBMORP-SECBINFHSA-N 1 2 224.264 0.225 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001395 587642059 /nfs/dbraw/zinc/64/20/59/587642059.db2.gz LGODSCRPQIPJME-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000832001395 587642060 /nfs/dbraw/zinc/64/20/60/587642060.db2.gz LGODSCRPQIPJME-IVZWLZJFSA-N 1 2 231.292 0.020 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832345949 587655334 /nfs/dbraw/zinc/65/53/34/587655334.db2.gz OMCGUGNFFIFSNA-XADBCAIWSA-N 1 2 223.276 0.396 20 0 BCADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCCCO1 ZINC000832463899 587661767 /nfs/dbraw/zinc/66/17/67/587661767.db2.gz JXVBKDFTQGPTOG-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCCCO1 ZINC000832463900 587661929 /nfs/dbraw/zinc/66/19/29/587661929.db2.gz JXVBKDFTQGPTOG-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000832517216 587664675 /nfs/dbraw/zinc/66/46/75/587664675.db2.gz FOCQYWXYVDCSNQ-UWVGGRQHSA-N 1 2 248.286 0.479 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000832571066 587666942 /nfs/dbraw/zinc/66/69/42/587666942.db2.gz SOBXZWAJSVTXSZ-VHSXEESVSA-N 1 2 237.303 0.620 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1c[nH+]cn1C ZINC000832666166 587675567 /nfs/dbraw/zinc/67/55/67/587675567.db2.gz AQDUVLSGTQZBOB-LLVKDONJSA-N 1 2 239.319 0.630 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000832718032 587677906 /nfs/dbraw/zinc/67/79/06/587677906.db2.gz PBSHEBBNLITASU-WDEREUQCSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000832718032 587677907 /nfs/dbraw/zinc/67/79/07/587677907.db2.gz PBSHEBBNLITASU-WDEREUQCSA-N 1 2 229.320 0.888 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)[C@H](C)O1 ZINC000832708788 587678696 /nfs/dbraw/zinc/67/86/96/587678696.db2.gz QMCAWNOGGCFYGX-BBBLOLIVSA-N 1 2 237.303 0.977 20 0 BCADLO O=C([O-])N1CC(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000834067889 587743712 /nfs/dbraw/zinc/74/37/12/587743712.db2.gz RHMGIAALSTYHDJ-JTQLQIEISA-N 1 2 239.319 0.423 20 0 BCADLO O=C([O-])N1CC(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000834067889 587743714 /nfs/dbraw/zinc/74/37/14/587743714.db2.gz RHMGIAALSTYHDJ-JTQLQIEISA-N 1 2 239.319 0.423 20 0 BCADLO O=C([O-])N1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000834102315 587745432 /nfs/dbraw/zinc/74/54/32/587745432.db2.gz YKUSCEPXERSMAA-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO CC(C)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ncon1 ZINC000834533882 587758865 /nfs/dbraw/zinc/75/88/65/587758865.db2.gz UDPWMITZEJIXPU-SNVBAGLBSA-N 1 2 249.274 0.849 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCC(C)(C)O ZINC000834628277 587761859 /nfs/dbraw/zinc/76/18/59/587761859.db2.gz DVGRDODYFXAMJG-MRVPVSSYSA-N 1 2 241.291 0.407 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCC(C)(C)O ZINC000834628277 587761860 /nfs/dbraw/zinc/76/18/60/587761860.db2.gz DVGRDODYFXAMJG-MRVPVSSYSA-N 1 2 241.291 0.407 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000834667125 587763394 /nfs/dbraw/zinc/76/33/94/587763394.db2.gz NHRKQYURXBFTQO-VROVMSAKSA-N 1 2 205.261 0.867 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000834739755 587765066 /nfs/dbraw/zinc/76/50/66/587765066.db2.gz KHSSQKAELPUQJU-MRVPVSSYSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000834814977 587767329 /nfs/dbraw/zinc/76/73/29/587767329.db2.gz GGCUULYHRWWDQS-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CC1CCC1 ZINC000834814975 587767419 /nfs/dbraw/zinc/76/74/19/587767419.db2.gz GGCUULYHRWWDQS-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC=C(F)C1 ZINC000867193266 587836673 /nfs/dbraw/zinc/83/66/73/587836673.db2.gz AHBVGHLDIZPYEX-VIFPVBQESA-N 1 2 225.223 0.529 20 0 BCADLO COC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864982 587840456 /nfs/dbraw/zinc/84/04/56/587840456.db2.gz YFLZRMCMBUVMCM-DTORHVGOSA-N 1 2 214.265 0.206 20 0 BCADLO COC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864982 587840457 /nfs/dbraw/zinc/84/04/57/587840457.db2.gz YFLZRMCMBUVMCM-DTORHVGOSA-N 1 2 214.265 0.206 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cc(C=O)cn2C)C1 ZINC000837542144 587881140 /nfs/dbraw/zinc/88/11/40/587881140.db2.gz OTJYUPXQLRJLAV-UHFFFAOYSA-N 1 2 249.314 0.660 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](C[C@H](O)C2CC2)C1 ZINC000840767604 587920995 /nfs/dbraw/zinc/92/09/95/587920995.db2.gz XBNMZCRTMNJIEF-NSHDSACASA-N 1 2 242.319 0.576 20 0 BCADLO CO[C@H]1CC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841680223 587972057 /nfs/dbraw/zinc/97/20/57/587972057.db2.gz DPTFTVURLVHDNQ-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO CO[C@H]1CC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841680223 587972058 /nfs/dbraw/zinc/97/20/58/587972058.db2.gz DPTFTVURLVHDNQ-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841686643 587972272 /nfs/dbraw/zinc/97/22/72/587972272.db2.gz RITOIRIPHXPCRB-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841686643 587972274 /nfs/dbraw/zinc/97/22/74/587972274.db2.gz RITOIRIPHXPCRB-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO CC[C@H](CO[NH+]=C(N)[C@H](C)OC)OC ZINC000842036302 587991972 /nfs/dbraw/zinc/99/19/72/587991972.db2.gz KZFVSRYYSAJHGI-JGVFFNPUSA-N 1 2 204.270 0.945 20 0 BCADLO CC[C@@H](COC(=O)[C@H]1C[N@H+](CC)CCO1)OC ZINC000842081376 587996976 /nfs/dbraw/zinc/99/69/76/587996976.db2.gz UXSUOTHNXFVCPC-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](COC(=O)[C@H]1C[N@@H+](CC)CCO1)OC ZINC000842081376 587996977 /nfs/dbraw/zinc/99/69/77/587996977.db2.gz UXSUOTHNXFVCPC-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658032 588050064 /nfs/dbraw/zinc/05/00/64/588050064.db2.gz WCZPCEYWXPRBIL-NXEZZACHSA-N 1 2 246.307 0.451 20 0 BCADLO CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842656087 588050395 /nfs/dbraw/zinc/05/03/95/588050395.db2.gz JFCZPVWZUFBZGI-QMMMGPOBSA-N 1 2 202.254 0.700 20 0 BCADLO COCCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661336 588050569 /nfs/dbraw/zinc/05/05/69/588050569.db2.gz NKONQSKCJAOIGE-JTQLQIEISA-N 1 2 246.307 0.574 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1csc(C)n1 ZINC000842767968 588061324 /nfs/dbraw/zinc/06/13/24/588061324.db2.gz FCTRCAHHFRGYRU-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cscn1 ZINC000842768523 588061493 /nfs/dbraw/zinc/06/14/93/588061493.db2.gz QFIBJTFIVCBDNN-UHFFFAOYSA-N 1 2 229.305 0.643 20 0 BCADLO Nc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000843119372 588082712 /nfs/dbraw/zinc/08/27/12/588082712.db2.gz KRDLKTUNXIDGRA-ZDUSSCGKSA-N 1 2 247.298 0.945 20 0 BCADLO Nc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000843119372 588082713 /nfs/dbraw/zinc/08/27/13/588082713.db2.gz KRDLKTUNXIDGRA-ZDUSSCGKSA-N 1 2 247.298 0.945 20 0 BCADLO CC[NH2+]Cc1noc(Cn2ccc(C)cc2=O)n1 ZINC000843141659 588086295 /nfs/dbraw/zinc/08/62/95/588086295.db2.gz RUBCCCJAYCZBGB-UHFFFAOYSA-N 1 2 248.286 0.698 20 0 BCADLO COCCCCc1noc(C[NH2+]CCOC)n1 ZINC000843184548 588090880 /nfs/dbraw/zinc/09/08/80/588090880.db2.gz YEJOYLYAZXEGPT-UHFFFAOYSA-N 1 2 243.307 0.775 20 0 BCADLO CC[NH2+]CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000843372572 588105108 /nfs/dbraw/zinc/10/51/08/588105108.db2.gz KAZPOMOYBYBENE-UHFFFAOYSA-N 1 2 219.248 0.506 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C1(F)CC1 ZINC000843520519 588119035 /nfs/dbraw/zinc/11/90/35/588119035.db2.gz SABWBDMFOBBCRN-UHFFFAOYSA-N 1 2 211.240 0.881 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(F)CC1 ZINC000843586354 588126645 /nfs/dbraw/zinc/12/66/45/588126645.db2.gz AYXZEYOQFSKLNT-SNVBAGLBSA-N 1 2 244.310 0.668 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(F)CC1 ZINC000843800818 588141385 /nfs/dbraw/zinc/14/13/85/588141385.db2.gz UCHDYPQWZYTZRB-UHFFFAOYSA-N 1 2 209.224 0.769 20 0 BCADLO C[C@H]1CN(C(=O)C2(F)CC2)CC[N@@H+]1CCO ZINC000843858924 588145836 /nfs/dbraw/zinc/14/58/36/588145836.db2.gz LUHXJGCBQDESGC-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H]1CN(C(=O)C2(F)CC2)CC[N@H+]1CCO ZINC000843858924 588145837 /nfs/dbraw/zinc/14/58/37/588145837.db2.gz LUHXJGCBQDESGC-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2CCC=CO2)c[nH+]1 ZINC000843883376 588147240 /nfs/dbraw/zinc/14/72/40/588147240.db2.gz GBESBORFJAEQMY-SNVBAGLBSA-N 1 2 248.286 0.676 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2(F)CC2)c[nH+]1 ZINC000843884882 588147558 /nfs/dbraw/zinc/14/75/58/588147558.db2.gz FDRDJVTWIXFUAA-UHFFFAOYSA-N 1 2 224.239 0.486 20 0 BCADLO Cc1nc(N)c(CNC(=O)C(C)(F)F)c[nH+]1 ZINC000843884512 588147588 /nfs/dbraw/zinc/14/75/88/588147588.db2.gz SEQOXCAEDJQXHW-UHFFFAOYSA-N 1 2 230.218 0.639 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(F)CC1 ZINC000843903708 588149827 /nfs/dbraw/zinc/14/98/27/588149827.db2.gz IKDMDLYKMYXSPN-AOOOYVTPSA-N 1 2 242.294 0.468 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(F)CC1 ZINC000843903708 588149829 /nfs/dbraw/zinc/14/98/29/588149829.db2.gz IKDMDLYKMYXSPN-AOOOYVTPSA-N 1 2 242.294 0.468 20 0 BCADLO O=C(NCc1ccon1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844134887 588169589 /nfs/dbraw/zinc/16/95/89/588169589.db2.gz KSRHLKCTVXBRMH-SECBINFHSA-N 1 2 246.270 0.750 20 0 BCADLO O=C(NCc1ccon1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844134890 588169668 /nfs/dbraw/zinc/16/96/68/588169668.db2.gz KSRHLKCTVXBRMH-VIFPVBQESA-N 1 2 246.270 0.750 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844137872 588169901 /nfs/dbraw/zinc/16/99/01/588169901.db2.gz CVBGTXXOJRWZGV-CMPLNLGQSA-N 1 2 249.314 0.333 20 0 BCADLO CN1CCC[C@@H]1C[N@H+](C)CCS(C)(=O)=O ZINC000844289301 588181537 /nfs/dbraw/zinc/18/15/37/588181537.db2.gz ATNFTZDBRNRVIS-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO CN1CCC[C@@H]1C[N@@H+](C)CCS(C)(=O)=O ZINC000844289301 588181538 /nfs/dbraw/zinc/18/15/38/588181538.db2.gz ATNFTZDBRNRVIS-SNVBAGLBSA-N 1 2 234.365 0.057 20 0 BCADLO C[C@H]1CC[C@H]([N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333201 588185812 /nfs/dbraw/zinc/18/58/12/588185812.db2.gz GNJJBQSLGMPFNK-UWVGGRQHSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@H]1CC[C@H]([N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333201 588185814 /nfs/dbraw/zinc/18/58/14/588185814.db2.gz GNJJBQSLGMPFNK-UWVGGRQHSA-N 1 2 236.319 0.775 20 0 BCADLO C[N@H+](C[C@@H]1CCC(=O)N1)[C@H]1CC(C)(C)OC1=O ZINC000844330676 588186015 /nfs/dbraw/zinc/18/60/15/588186015.db2.gz AWAKLBAKBQUJNS-IUCAKERBSA-N 1 2 240.303 0.291 20 0 BCADLO C[N@@H+](C[C@@H]1CCC(=O)N1)[C@H]1CC(C)(C)OC1=O ZINC000844330676 588186017 /nfs/dbraw/zinc/18/60/17/588186017.db2.gz AWAKLBAKBQUJNS-IUCAKERBSA-N 1 2 240.303 0.291 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccc(C)n1 ZINC000844405004 588190575 /nfs/dbraw/zinc/19/05/75/588190575.db2.gz XLJLVGOTTPWVMC-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nccc(C)n1 ZINC000844405004 588190576 /nfs/dbraw/zinc/19/05/76/588190576.db2.gz XLJLVGOTTPWVMC-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000844422665 588191049 /nfs/dbraw/zinc/19/10/49/588191049.db2.gz RJVCIWYSURGNTP-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000844422665 588191051 /nfs/dbraw/zinc/19/10/51/588191051.db2.gz RJVCIWYSURGNTP-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844463941 588197178 /nfs/dbraw/zinc/19/71/78/588197178.db2.gz UAYUFPVYYVLRGX-DTORHVGOSA-N 1 2 228.246 0.995 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844463941 588197179 /nfs/dbraw/zinc/19/71/79/588197179.db2.gz UAYUFPVYYVLRGX-DTORHVGOSA-N 1 2 228.246 0.995 20 0 BCADLO C[C@H](CC(=O)OCc1ncnn1C)n1cc[nH+]c1 ZINC000844476913 588198719 /nfs/dbraw/zinc/19/87/19/588198719.db2.gz NMJWIFWKIMNZFY-SECBINFHSA-N 1 2 249.274 0.706 20 0 BCADLO CCC[N@H+](Cn1nc(C)n(C)c1=O)C1CC1 ZINC000844690755 588213363 /nfs/dbraw/zinc/21/33/63/588213363.db2.gz BOLGNUCKALNLTL-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO CCC[N@@H+](Cn1nc(C)n(C)c1=O)C1CC1 ZINC000844690755 588213364 /nfs/dbraw/zinc/21/33/64/588213364.db2.gz BOLGNUCKALNLTL-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@@H+](C)CCC(C)C)c(=O)n1C ZINC000844685814 588213597 /nfs/dbraw/zinc/21/35/97/588213597.db2.gz DYZOEZAQZUZPIH-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO Cc1nn(C[N@H+](C)CCC(C)C)c(=O)n1C ZINC000844685814 588213600 /nfs/dbraw/zinc/21/36/00/588213600.db2.gz DYZOEZAQZUZPIH-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO COC(=O)CCCO[NH+]=C(N)[C@H](C)OC ZINC000844765122 588216403 /nfs/dbraw/zinc/21/64/03/588216403.db2.gz SFUYVWGGNNCLQF-ZETCQYMHSA-N 1 2 218.253 0.473 20 0 BCADLO C[C@H](CC(=O)OCC(=O)N(C)C)n1cc[nH+]c1 ZINC000845276848 588225085 /nfs/dbraw/zinc/22/50/85/588225085.db2.gz CLDVTNQIJSWHFC-SECBINFHSA-N 1 2 239.275 0.466 20 0 BCADLO C[C@H](CC(=O)O[C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC000845276719 588225309 /nfs/dbraw/zinc/22/53/09/588225309.db2.gz KWUJDTHYHADNJP-SFYZADRCSA-N 1 2 225.248 0.251 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280154 588225320 /nfs/dbraw/zinc/22/53/20/588225320.db2.gz SLVXERVQHFCSJX-RKDXNWHRSA-N 1 2 240.259 0.939 20 0 BCADLO C[C@@H](CC(=O)O[C@@H]1CCOC1=O)n1cc[nH+]c1 ZINC000845279518 588225606 /nfs/dbraw/zinc/22/56/06/588225606.db2.gz OEXWODKQJBJEGG-DTWKUNHWSA-N 1 2 238.243 0.693 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280152 588225626 /nfs/dbraw/zinc/22/56/26/588225626.db2.gz SLVXERVQHFCSJX-DTWKUNHWSA-N 1 2 240.259 0.939 20 0 BCADLO COCC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284853 588225652 /nfs/dbraw/zinc/22/56/52/588225652.db2.gz OSKAVZUELINPTA-VIFPVBQESA-N 1 2 240.259 0.593 20 0 BCADLO c1nnnn1CCNc1cc[nH+]c(C2CC2)n1 ZINC000845574821 588233690 /nfs/dbraw/zinc/23/36/90/588233690.db2.gz OOTHTXOFLHPMKB-UHFFFAOYSA-N 1 2 231.263 0.453 20 0 BCADLO COC/C(C)=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000845700015 588241822 /nfs/dbraw/zinc/24/18/22/588241822.db2.gz SCNWBRAINPSISF-YWEYNIOJSA-N 1 2 223.276 0.927 20 0 BCADLO CCONC(=O)CNc1nc(N(C)C)cc[nH+]1 ZINC000845714785 588242187 /nfs/dbraw/zinc/24/21/87/588242187.db2.gz VLMBJABDZITHCX-UHFFFAOYSA-N 1 2 239.279 0.022 20 0 BCADLO CCONC(=O)CNc1cc(C)[nH+]c(C)n1 ZINC000845715027 588242360 /nfs/dbraw/zinc/24/23/60/588242360.db2.gz KOXNLXCTXWIMFU-UHFFFAOYSA-N 1 2 224.264 0.573 20 0 BCADLO CCONC(=O)CNc1cc[nH+]c(N(C)C)n1 ZINC000845716113 588242494 /nfs/dbraw/zinc/24/24/94/588242494.db2.gz RYYPHZLIYWYCMM-UHFFFAOYSA-N 1 2 239.279 0.022 20 0 BCADLO CCON(C)C(=O)CNc1cc(C)[nH+]cn1 ZINC000845717006 588242571 /nfs/dbraw/zinc/24/25/71/588242571.db2.gz YAGQNSVSCRHUSE-UHFFFAOYSA-N 1 2 224.264 0.607 20 0 BCADLO C[C@H](CC(=O)N[C@@H](CO)C1CC1)n1cc[nH+]c1 ZINC000845908435 588250132 /nfs/dbraw/zinc/25/01/32/588250132.db2.gz KRNVDRNVNSRTNX-KOLCDFICSA-N 1 2 237.303 0.721 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000846085186 588256059 /nfs/dbraw/zinc/25/60/59/588256059.db2.gz XLIOREABIRGSQG-VHSXEESVSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000846090789 588256279 /nfs/dbraw/zinc/25/62/79/588256279.db2.gz DRQORVLUQRTGDZ-ZJUUUORDSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000846090692 588256296 /nfs/dbraw/zinc/25/62/96/588256296.db2.gz CWUSMQKPRHEDSQ-VHSXEESVSA-N 1 2 230.308 0.459 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1nonc1C ZINC000846240173 588262237 /nfs/dbraw/zinc/26/22/37/588262237.db2.gz VODWOTQCXVDFHM-UHFFFAOYSA-N 1 2 249.274 0.453 20 0 BCADLO CC[C@@H](CO)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244033 588262562 /nfs/dbraw/zinc/26/25/62/588262562.db2.gz DSUOHJBAACXWFU-QMMMGPOBSA-N 1 2 225.292 0.780 20 0 BCADLO Cc1nonc1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246782 588262708 /nfs/dbraw/zinc/26/27/08/588262708.db2.gz LNZGWPATZDDLTI-UHFFFAOYSA-N 1 2 249.274 0.695 20 0 BCADLO C[C@H](CC(=O)NOCC(C)(C)O)n1cc[nH+]c1 ZINC000846642698 588280635 /nfs/dbraw/zinc/28/06/35/588280635.db2.gz MVOLNCAQKMYNAY-SECBINFHSA-N 1 2 241.291 0.653 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCO[C@@H](C)C2)OC1=O ZINC000846760722 588286357 /nfs/dbraw/zinc/28/63/57/588286357.db2.gz SHKFRAXZEJVLFH-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCO[C@@H](C)C2)OC1=O ZINC000846760722 588286358 /nfs/dbraw/zinc/28/63/58/588286358.db2.gz SHKFRAXZEJVLFH-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@@H]2C)OC1=O ZINC000846766053 588286750 /nfs/dbraw/zinc/28/67/50/588286750.db2.gz KJRLLQLJATURKE-HBNTYKKESA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@@H](C)OC[C@@H]2C)OC1=O ZINC000846766053 588286751 /nfs/dbraw/zinc/28/67/51/588286751.db2.gz KJRLLQLJATURKE-HBNTYKKESA-N 1 2 242.319 0.936 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc(Cl)c(F)c1 ZINC000846771306 588287508 /nfs/dbraw/zinc/28/75/08/588287508.db2.gz HRONOUPRPMTNTH-UHFFFAOYSA-N 1 2 231.658 0.791 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc(Cl)c(F)c1 ZINC000846771306 588287509 /nfs/dbraw/zinc/28/75/09/588287509.db2.gz HRONOUPRPMTNTH-UHFFFAOYSA-N 1 2 231.658 0.791 20 0 BCADLO CCN1C[C@H](C[N@H+](C)Cc2cc[nH]n2)OC1=O ZINC000846805025 588289737 /nfs/dbraw/zinc/28/97/37/588289737.db2.gz SFJRZXFZIHWYPI-JTQLQIEISA-N 1 2 238.291 0.682 20 0 BCADLO CCN1C[C@H](C[N@@H+](C)Cc2cc[nH]n2)OC1=O ZINC000846805025 588289738 /nfs/dbraw/zinc/28/97/38/588289738.db2.gz SFJRZXFZIHWYPI-JTQLQIEISA-N 1 2 238.291 0.682 20 0 BCADLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846809759 588290574 /nfs/dbraw/zinc/29/05/74/588290574.db2.gz AJXMIRHZIPMFDM-QMMMGPOBSA-N 1 2 240.332 0.626 20 0 BCADLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846809759 588290575 /nfs/dbraw/zinc/29/05/75/588290575.db2.gz AJXMIRHZIPMFDM-QMMMGPOBSA-N 1 2 240.332 0.626 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cnsn1 ZINC000846810262 588290592 /nfs/dbraw/zinc/29/05/92/588290592.db2.gz DDLQGGOIALUYGH-ZETCQYMHSA-N 1 2 228.321 0.352 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cnsn1 ZINC000846810262 588290593 /nfs/dbraw/zinc/29/05/93/588290593.db2.gz DDLQGGOIALUYGH-ZETCQYMHSA-N 1 2 228.321 0.352 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846868689 588294273 /nfs/dbraw/zinc/29/42/73/588294273.db2.gz HOSNKEHEOUNHFE-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cnsn1)[C@@H](C)CO ZINC000846868689 588294274 /nfs/dbraw/zinc/29/42/74/588294274.db2.gz HOSNKEHEOUNHFE-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846892762 588295883 /nfs/dbraw/zinc/29/58/83/588295883.db2.gz WCJRXUVJJQPJLK-SNVBAGLBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846892762 588295884 /nfs/dbraw/zinc/29/58/84/588295884.db2.gz WCJRXUVJJQPJLK-SNVBAGLBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846892760 588295963 /nfs/dbraw/zinc/29/59/63/588295963.db2.gz WCJRXUVJJQPJLK-JTQLQIEISA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846892760 588295964 /nfs/dbraw/zinc/29/59/64/588295964.db2.gz WCJRXUVJJQPJLK-JTQLQIEISA-N 1 2 240.332 0.496 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000846892485 588295985 /nfs/dbraw/zinc/29/59/85/588295985.db2.gz PTENUFWRFHGOAU-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)C(C)(C)C1 ZINC000846892485 588295986 /nfs/dbraw/zinc/29/59/86/588295986.db2.gz PTENUFWRFHGOAU-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CON1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000846971042 588298992 /nfs/dbraw/zinc/29/89/92/588298992.db2.gz JDATUIMZZPCLRN-MRVPVSSYSA-N 1 2 242.241 0.479 20 0 BCADLO CON1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000846971043 588299067 /nfs/dbraw/zinc/29/90/67/588299067.db2.gz JDATUIMZZPCLRN-QMMMGPOBSA-N 1 2 242.241 0.479 20 0 BCADLO CON1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000846973585 588299144 /nfs/dbraw/zinc/29/91/44/588299144.db2.gz AHZKSULTRKNCLH-UHFFFAOYSA-N 1 2 224.308 0.408 20 0 BCADLO CON1CC[NH+](CCn2ccccc2=O)CC1 ZINC000846975587 588299408 /nfs/dbraw/zinc/29/94/08/588299408.db2.gz HFPGDTSEXLLEHM-UHFFFAOYSA-N 1 2 237.303 0.027 20 0 BCADLO CON1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000846975854 588299998 /nfs/dbraw/zinc/29/99/98/588299998.db2.gz GLIYJHZIXARCAK-UHFFFAOYSA-N 1 2 242.241 0.744 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846976885 588300063 /nfs/dbraw/zinc/30/00/63/588300063.db2.gz KIMSUIYGCNKLPA-MNOVXSKESA-N 1 2 243.351 0.469 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1cnsn1 ZINC000847012184 588301547 /nfs/dbraw/zinc/30/15/47/588301547.db2.gz HLHUQCZLPABXBB-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1cnsn1 ZINC000847012184 588301546 /nfs/dbraw/zinc/30/15/46/588301546.db2.gz HLHUQCZLPABXBB-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO Cn1cnnc1N1CC[NH+](C/C=C\Cl)CC1 ZINC000847039581 588304725 /nfs/dbraw/zinc/30/47/25/588304725.db2.gz NHRHQJJNFNDKEB-IHWYPQMZSA-N 1 2 241.726 0.690 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N=c2sccn2C)C1 ZINC000847413929 588312792 /nfs/dbraw/zinc/31/27/92/588312792.db2.gz DUNGZWQFKNJZLE-SECBINFHSA-N 1 2 239.344 0.856 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N=c2sccn2C)C1 ZINC000847413929 588312794 /nfs/dbraw/zinc/31/27/94/588312794.db2.gz DUNGZWQFKNJZLE-SECBINFHSA-N 1 2 239.344 0.856 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cn[nH]c1 ZINC000847542042 588316319 /nfs/dbraw/zinc/31/63/19/588316319.db2.gz HOYPSSAXLNPMCR-QMMMGPOBSA-N 1 2 233.275 0.974 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cn[nH]c1 ZINC000847542042 588316320 /nfs/dbraw/zinc/31/63/20/588316320.db2.gz HOYPSSAXLNPMCR-QMMMGPOBSA-N 1 2 233.275 0.974 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000848114003 588357005 /nfs/dbraw/zinc/35/70/05/588357005.db2.gz OHUBPJOFZYLARE-SNVBAGLBSA-N 1 2 217.272 0.903 20 0 BCADLO C=C=CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000848116018 588358479 /nfs/dbraw/zinc/35/84/79/588358479.db2.gz YMWMNIUGWAROKH-SNVBAGLBSA-N 1 2 210.277 0.164 20 0 BCADLO C=C=CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000848116018 588358481 /nfs/dbraw/zinc/35/84/81/588358481.db2.gz YMWMNIUGWAROKH-SNVBAGLBSA-N 1 2 210.277 0.164 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccc(C=O)[nH]1 ZINC000848174740 588365396 /nfs/dbraw/zinc/36/53/96/588365396.db2.gz UQSDMOGASGFSJF-UHFFFAOYSA-N 1 2 246.270 0.974 20 0 BCADLO Cn1c(C[N@H+]2C[C@H](O)C[C@H](O)C2)cnc1Cl ZINC000848888382 588417509 /nfs/dbraw/zinc/41/75/09/588417509.db2.gz ANAZQYDMHFVRFK-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cnc1Cl ZINC000848888382 588417511 /nfs/dbraw/zinc/41/75/11/588417511.db2.gz ANAZQYDMHFVRFK-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO C[N@H+](CCO)Cc1cn(C[Si](C)(C)C)nn1 ZINC000849137206 588453170 /nfs/dbraw/zinc/45/31/70/588453170.db2.gz VSSNBHOXMSWMAK-UHFFFAOYSA-N 1 2 242.399 0.580 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C[Si](C)(C)C)nn1 ZINC000849137206 588453171 /nfs/dbraw/zinc/45/31/71/588453171.db2.gz VSSNBHOXMSWMAK-UHFFFAOYSA-N 1 2 242.399 0.580 20 0 BCADLO CNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280505 588469802 /nfs/dbraw/zinc/46/98/02/588469802.db2.gz DPNOHZQNZOAWHP-IUCAKERBSA-N 1 2 231.365 0.190 20 0 BCADLO CNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280505 588469803 /nfs/dbraw/zinc/46/98/03/588469803.db2.gz DPNOHZQNZOAWHP-IUCAKERBSA-N 1 2 231.365 0.190 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)c2ncnn21 ZINC000849322376 588472587 /nfs/dbraw/zinc/47/25/87/588472587.db2.gz RHXWDAANGDMNBJ-UTLUCORTSA-N 1 2 249.318 0.494 20 0 BCADLO O=C(/C=C/Cn1cncn1)OCCn1cc[nH+]c1 ZINC000850165342 588523225 /nfs/dbraw/zinc/52/32/25/588523225.db2.gz YRJKYBIQBIQKRP-OWOJBTEDSA-N 1 2 247.258 0.274 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCCF ZINC000850195128 588526913 /nfs/dbraw/zinc/52/69/13/588526913.db2.gz MWRZVXLRDLKDOC-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO Cn1cc(CCC(=O)OCCn2cc[nH+]c2)nn1 ZINC000850220669 588530251 /nfs/dbraw/zinc/53/02/51/588530251.db2.gz QQDXUJDXAMMKIG-UHFFFAOYSA-N 1 2 249.274 0.188 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850260412 588532568 /nfs/dbraw/zinc/53/25/68/588532568.db2.gz SNRKHPNHCSIEFW-MYJAWHEDSA-N 1 2 222.244 0.319 20 0 BCADLO Cn1cc(CCC(=O)OCc2c[nH+]cn2C)nn1 ZINC000850868306 588571905 /nfs/dbraw/zinc/57/19/05/588571905.db2.gz CHBQIDBTJBTPNI-UHFFFAOYSA-N 1 2 249.274 0.225 20 0 BCADLO COC[C@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000850998942 588582929 /nfs/dbraw/zinc/58/29/29/588582929.db2.gz WGERMOKEDAYMLJ-ZJUUUORDSA-N 1 2 249.282 0.235 20 0 BCADLO COC[C@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000850998942 588582930 /nfs/dbraw/zinc/58/29/30/588582930.db2.gz WGERMOKEDAYMLJ-ZJUUUORDSA-N 1 2 249.282 0.235 20 0 BCADLO CC(C)[NH2+]CC(=O)N=c1sccn1C ZINC000851632161 588611925 /nfs/dbraw/zinc/61/19/25/588611925.db2.gz MGPGIYCLXCQFEV-UHFFFAOYSA-N 1 2 213.306 0.512 20 0 BCADLO C[N@H+](CCOC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000851719084 588615721 /nfs/dbraw/zinc/61/57/21/588615721.db2.gz FIEUORQQXQNKCU-SSDOTTSWSA-N 1 2 243.275 0.345 20 0 BCADLO C[N@@H+](CCOC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000851719084 588615722 /nfs/dbraw/zinc/61/57/22/588615722.db2.gz FIEUORQQXQNKCU-SSDOTTSWSA-N 1 2 243.275 0.345 20 0 BCADLO O=C(C1CC1)N1CC[NH+](CCOC(F)F)CC1 ZINC000851714795 588615724 /nfs/dbraw/zinc/61/57/24/588615724.db2.gz SWWLARJGVHPACC-UHFFFAOYSA-N 1 2 248.273 0.780 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851725560 588618128 /nfs/dbraw/zinc/61/81/28/588618128.db2.gz BLJPSIZWBFMHDH-CMPLNLGQSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851725560 588618129 /nfs/dbraw/zinc/61/81/29/588618129.db2.gz BLJPSIZWBFMHDH-CMPLNLGQSA-N 1 2 222.288 0.836 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1cnon1 ZINC000851728781 588618943 /nfs/dbraw/zinc/61/89/43/588618943.db2.gz SDVJLOUUOSNKMN-SSDOTTSWSA-N 1 2 213.237 0.311 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cnon1 ZINC000851728781 588618944 /nfs/dbraw/zinc/61/89/44/588618944.db2.gz SDVJLOUUOSNKMN-SSDOTTSWSA-N 1 2 213.237 0.311 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)n1 ZINC000851735868 588620610 /nfs/dbraw/zinc/62/06/10/588620610.db2.gz JLMQSZYNNVRPHE-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000851735868 588620611 /nfs/dbraw/zinc/62/06/11/588620611.db2.gz JLMQSZYNNVRPHE-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@H]1CCC(=O)O1 ZINC000851737618 588620821 /nfs/dbraw/zinc/62/08/21/588620821.db2.gz JPIPGLWKVBZAPK-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@H]1CCC(=O)O1 ZINC000851737618 588620822 /nfs/dbraw/zinc/62/08/22/588620822.db2.gz JPIPGLWKVBZAPK-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cnon1 ZINC000851745745 588621714 /nfs/dbraw/zinc/62/17/14/588621714.db2.gz AWQHBLDDGYTMNL-UHFFFAOYSA-N 1 2 213.237 0.455 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnon1 ZINC000851745745 588621715 /nfs/dbraw/zinc/62/17/15/588621715.db2.gz AWQHBLDDGYTMNL-UHFFFAOYSA-N 1 2 213.237 0.455 20 0 BCADLO O=C1C[N@H+](CCO[C@H]2CC2(F)F)CCCN1 ZINC000851746239 588621984 /nfs/dbraw/zinc/62/19/84/588621984.db2.gz JBOCZVWYDNLPPN-QMMMGPOBSA-N 1 2 234.246 0.233 20 0 BCADLO O=C1C[N@@H+](CCO[C@H]2CC2(F)F)CCCN1 ZINC000851746239 588621985 /nfs/dbraw/zinc/62/19/85/588621985.db2.gz JBOCZVWYDNLPPN-QMMMGPOBSA-N 1 2 234.246 0.233 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](Cc1cnon1)C1CC1 ZINC000851747522 588622444 /nfs/dbraw/zinc/62/24/44/588622444.db2.gz VRTLBIGSSRKAPT-QMMMGPOBSA-N 1 2 239.275 0.843 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](Cc1cnon1)C1CC1 ZINC000851747522 588622445 /nfs/dbraw/zinc/62/24/45/588622445.db2.gz VRTLBIGSSRKAPT-QMMMGPOBSA-N 1 2 239.275 0.843 20 0 BCADLO CO[C@@H]1CC[C@H](N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000851750848 588623350 /nfs/dbraw/zinc/62/33/50/588623350.db2.gz LAZAZBLDBGKNNM-FRRDWIJNSA-N 1 2 242.363 0.552 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCOC(F)F ZINC000851753488 588623800 /nfs/dbraw/zinc/62/38/00/588623800.db2.gz XEJKUWPSPYPMEZ-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCOC(F)F ZINC000851753488 588623801 /nfs/dbraw/zinc/62/38/01/588623801.db2.gz XEJKUWPSPYPMEZ-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOC(F)F ZINC000851763713 588624488 /nfs/dbraw/zinc/62/44/88/588624488.db2.gz DBUJXAFRTOOJRH-QMMMGPOBSA-N 1 2 236.262 0.682 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOC(F)F ZINC000851763713 588624489 /nfs/dbraw/zinc/62/44/89/588624489.db2.gz DBUJXAFRTOOJRH-QMMMGPOBSA-N 1 2 236.262 0.682 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000851762796 588624559 /nfs/dbraw/zinc/62/45/59/588624559.db2.gz ZDCXVGLSZCDCDK-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000851762796 588624560 /nfs/dbraw/zinc/62/45/60/588624560.db2.gz ZDCXVGLSZCDCDK-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000851772270 588625933 /nfs/dbraw/zinc/62/59/33/588625933.db2.gz BYTXEGOUDKFXJS-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000851772270 588625934 /nfs/dbraw/zinc/62/59/34/588625934.db2.gz BYTXEGOUDKFXJS-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851780458 588627305 /nfs/dbraw/zinc/62/73/05/588627305.db2.gz XJQZMHJSYYKJOA-VXGBXAGGSA-N 1 2 249.314 0.325 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851780458 588627306 /nfs/dbraw/zinc/62/73/06/588627306.db2.gz XJQZMHJSYYKJOA-VXGBXAGGSA-N 1 2 249.314 0.325 20 0 BCADLO CCn1ncc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000851784268 588628125 /nfs/dbraw/zinc/62/81/25/588628125.db2.gz JEKOUAVHHYVJEZ-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000851784268 588628126 /nfs/dbraw/zinc/62/81/26/588628126.db2.gz JEKOUAVHHYVJEZ-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851813097 588632582 /nfs/dbraw/zinc/63/25/82/588632582.db2.gz QGLHGJIKECYQGK-ZETCQYMHSA-N 1 2 236.218 0.362 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851813097 588632583 /nfs/dbraw/zinc/63/25/83/588632583.db2.gz QGLHGJIKECYQGK-ZETCQYMHSA-N 1 2 236.218 0.362 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC(=O)O1 ZINC000851866548 588636525 /nfs/dbraw/zinc/63/65/25/588636525.db2.gz OQJHDSBDBJDJEG-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC(=O)O1 ZINC000851866548 588636526 /nfs/dbraw/zinc/63/65/26/588636526.db2.gz OQJHDSBDBJDJEG-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO C[N@H+](CCCN1CCOC1=O)Cc1ncc[nH]1 ZINC000851875165 588638040 /nfs/dbraw/zinc/63/80/40/588638040.db2.gz NVBIYXBWQWHYBF-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO C[N@@H+](CCCN1CCOC1=O)Cc1ncc[nH]1 ZINC000851875165 588638041 /nfs/dbraw/zinc/63/80/41/588638041.db2.gz NVBIYXBWQWHYBF-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000851881927 588639318 /nfs/dbraw/zinc/63/93/18/588639318.db2.gz QTZMZTZVAMSWEO-SCZZXKLOSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000851881927 588639319 /nfs/dbraw/zinc/63/93/19/588639319.db2.gz QTZMZTZVAMSWEO-SCZZXKLOSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000851881929 588639579 /nfs/dbraw/zinc/63/95/79/588639579.db2.gz QTZMZTZVAMSWEO-WPRPVWTQSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000851881929 588639580 /nfs/dbraw/zinc/63/95/80/588639580.db2.gz QTZMZTZVAMSWEO-WPRPVWTQSA-N 1 2 210.281 0.253 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CCC(=O)O1 ZINC000851920847 588643782 /nfs/dbraw/zinc/64/37/82/588643782.db2.gz TZADOJWOGVFKKE-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CCC(=O)O1 ZINC000851920847 588643783 /nfs/dbraw/zinc/64/37/83/588643783.db2.gz TZADOJWOGVFKKE-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)n(C)n1 ZINC000851922537 588644097 /nfs/dbraw/zinc/64/40/97/588644097.db2.gz JLTIMWQSKCYEOY-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)n(C)n1 ZINC000851922537 588644098 /nfs/dbraw/zinc/64/40/98/588644098.db2.gz JLTIMWQSKCYEOY-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)n(C)n1 ZINC000851922545 588644390 /nfs/dbraw/zinc/64/43/90/588644390.db2.gz JLTIMWQSKCYEOY-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)n(C)n1 ZINC000851922545 588644391 /nfs/dbraw/zinc/64/43/91/588644391.db2.gz JLTIMWQSKCYEOY-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000851939859 588646466 /nfs/dbraw/zinc/64/64/66/588646466.db2.gz KAXUDYFDFJYPRB-BDAKNGLRSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCOC(F)F ZINC000851939859 588646467 /nfs/dbraw/zinc/64/64/67/588646467.db2.gz KAXUDYFDFJYPRB-BDAKNGLRSA-N 1 2 239.262 0.697 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851940700 588646517 /nfs/dbraw/zinc/64/65/17/588646517.db2.gz DGCQTJPELDBBTP-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851940700 588646518 /nfs/dbraw/zinc/64/65/18/588646518.db2.gz DGCQTJPELDBBTP-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000851956050 588648122 /nfs/dbraw/zinc/64/81/22/588648122.db2.gz BDVNSGRMKMZLPA-ONGXEEELSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000851956050 588648123 /nfs/dbraw/zinc/64/81/23/588648123.db2.gz BDVNSGRMKMZLPA-ONGXEEELSA-N 1 2 224.308 0.501 20 0 BCADLO COC(CC[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000851965176 588648393 /nfs/dbraw/zinc/64/83/93/588648393.db2.gz NELZAUVGZYMJDW-QMMMGPOBSA-N 1 2 239.262 0.697 20 0 BCADLO COC(CC[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000851965176 588648394 /nfs/dbraw/zinc/64/83/94/588648394.db2.gz NELZAUVGZYMJDW-QMMMGPOBSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1Cc1cn(C)c[nH+]1 ZINC000851968042 588648612 /nfs/dbraw/zinc/64/86/12/588648612.db2.gz JBFQALJJHKUZGP-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851968281 588649083 /nfs/dbraw/zinc/64/90/83/588649083.db2.gz LTASIOJZQBTSQZ-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccccn1 ZINC000851968281 588649084 /nfs/dbraw/zinc/64/90/84/588649084.db2.gz LTASIOJZQBTSQZ-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOC(F)F ZINC000851968859 588649160 /nfs/dbraw/zinc/64/91/60/588649160.db2.gz UFCCJIDFAHYZRD-ZETCQYMHSA-N 1 2 222.235 0.388 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOC(F)F ZINC000851968859 588649161 /nfs/dbraw/zinc/64/91/61/588649161.db2.gz UFCCJIDFAHYZRD-ZETCQYMHSA-N 1 2 222.235 0.388 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@H](C(F)F)C2)c1 ZINC000852017177 588655632 /nfs/dbraw/zinc/65/56/32/588655632.db2.gz VNSZFEXGPDFJIJ-VIFPVBQESA-N 1 2 231.246 0.886 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCOC(F)F)C1 ZINC000852020173 588655789 /nfs/dbraw/zinc/65/57/89/588655789.db2.gz SBIPPQZKDBHYOK-QMMMGPOBSA-N 1 2 213.199 0.632 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCOC(F)F)C1 ZINC000852020173 588655790 /nfs/dbraw/zinc/65/57/90/588655790.db2.gz SBIPPQZKDBHYOK-QMMMGPOBSA-N 1 2 213.199 0.632 20 0 BCADLO CC(C)[C@@](C)([NH2+]Cc1cnon1)C(N)=O ZINC000852039057 588657119 /nfs/dbraw/zinc/65/71/19/588657119.db2.gz BUJWIITUULCJMY-SECBINFHSA-N 1 2 212.253 0.059 20 0 BCADLO O=C1OCC[C@@H]1CCN1CCn2c[nH+]cc2C1 ZINC000852061500 588658651 /nfs/dbraw/zinc/65/86/51/588658651.db2.gz UZRYIYKNQAOFML-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCn2cncc2C1 ZINC000852061500 588658652 /nfs/dbraw/zinc/65/86/52/588658652.db2.gz UZRYIYKNQAOFML-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCn2cncc2C1 ZINC000852061500 588658653 /nfs/dbraw/zinc/65/86/53/588658653.db2.gz UZRYIYKNQAOFML-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)/C(C)=C\CN1CCn2c[nH+]cc2C1 ZINC000852061210 588658656 /nfs/dbraw/zinc/65/86/56/588658656.db2.gz PQDBBSVBSPLTFQ-KMKOMSMNSA-N 1 2 235.287 0.818 20 0 BCADLO CO[C@H](C[NH2+][C@@]1(C)CCOC1=O)[C@H]1CCOC1 ZINC000852062410 588658675 /nfs/dbraw/zinc/65/86/75/588658675.db2.gz DQBZKDOEAJGGHO-UMNHJUIQSA-N 1 2 243.303 0.333 20 0 BCADLO C[C@@]1([NH2+]CCO[C@H]2CC2(F)F)CCOC1=O ZINC000852063074 588658729 /nfs/dbraw/zinc/65/87/29/588658729.db2.gz NINKSYUDDUUDGX-IONNQARKSA-N 1 2 235.230 0.706 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000852123331 588665365 /nfs/dbraw/zinc/66/53/65/588665365.db2.gz OOAPIADBWCXRKG-SECBINFHSA-N 1 2 217.219 0.612 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000852123331 588665366 /nfs/dbraw/zinc/66/53/66/588665366.db2.gz OOAPIADBWCXRKG-SECBINFHSA-N 1 2 217.219 0.612 20 0 BCADLO CON1CC[NH+](Cc2conc2C)CC1 ZINC000852145123 588667151 /nfs/dbraw/zinc/66/71/51/588667151.db2.gz ZFTCTJZFRJSODX-UHFFFAOYSA-N 1 2 211.265 0.662 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CC(F)(F)C1 ZINC000852159846 588668093 /nfs/dbraw/zinc/66/80/93/588668093.db2.gz SUMQHKMWZWEOBY-VIFPVBQESA-N 1 2 237.246 0.545 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC000852177239 588669834 /nfs/dbraw/zinc/66/98/34/588669834.db2.gz ILCRARYZGMPTJI-LLVKDONJSA-N 1 2 239.275 0.845 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC000852177239 588669835 /nfs/dbraw/zinc/66/98/35/588669835.db2.gz ILCRARYZGMPTJI-LLVKDONJSA-N 1 2 239.275 0.845 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852184614 588670488 /nfs/dbraw/zinc/67/04/88/588670488.db2.gz NFFLLJGEOCYSQX-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852184614 588670489 /nfs/dbraw/zinc/67/04/89/588670489.db2.gz NFFLLJGEOCYSQX-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CCOC(C[N@H+](C)Cc1n[nH]c(=O)o1)OCC ZINC000852186501 588670700 /nfs/dbraw/zinc/67/07/00/588670700.db2.gz GBXDHNVZRHPLMX-UHFFFAOYSA-N 1 2 245.279 0.606 20 0 BCADLO CCOC(C[N@@H+](C)Cc1n[nH]c(=O)o1)OCC ZINC000852186501 588670701 /nfs/dbraw/zinc/67/07/01/588670701.db2.gz GBXDHNVZRHPLMX-UHFFFAOYSA-N 1 2 245.279 0.606 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187811 588670939 /nfs/dbraw/zinc/67/09/39/588670939.db2.gz UKZPXAFKTGZGNS-YUMQZZPRSA-N 1 2 227.264 0.775 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000852187811 588670940 /nfs/dbraw/zinc/67/09/40/588670940.db2.gz UKZPXAFKTGZGNS-YUMQZZPRSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852188609 588671064 /nfs/dbraw/zinc/67/10/64/588671064.db2.gz KOGZXMWJLLPJMP-ZETCQYMHSA-N 1 2 241.247 0.160 20 0 BCADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852188609 588671065 /nfs/dbraw/zinc/67/10/65/588671065.db2.gz KOGZXMWJLLPJMP-ZETCQYMHSA-N 1 2 241.247 0.160 20 0 BCADLO C[N@H+](CCC1OCCCO1)Cc1n[nH]c(=O)o1 ZINC000852188789 588671114 /nfs/dbraw/zinc/67/11/14/588671114.db2.gz NLGIPGGMDBXAOB-UHFFFAOYSA-N 1 2 243.263 0.360 20 0 BCADLO C[N@@H+](CCC1OCCCO1)Cc1n[nH]c(=O)o1 ZINC000852188789 588671115 /nfs/dbraw/zinc/67/11/15/588671115.db2.gz NLGIPGGMDBXAOB-UHFFFAOYSA-N 1 2 243.263 0.360 20 0 BCADLO OC1(C2CC[NH+](Cc3cnon3)CC2)CC1 ZINC000852209624 588672317 /nfs/dbraw/zinc/67/23/17/588672317.db2.gz QRZUFPMZQZQOML-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO NC(=O)[C@]1([NH2+]CC=C(Cl)Cl)CCOC1 ZINC000852217819 588673860 /nfs/dbraw/zinc/67/38/60/588673860.db2.gz NRMPTAHYGHECDP-QMMMGPOBSA-N 1 2 239.102 0.539 20 0 BCADLO Cc1noc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852295891 588677049 /nfs/dbraw/zinc/67/70/49/588677049.db2.gz LXXMIRARUDSNPG-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO Cc1noc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000852295891 588677050 /nfs/dbraw/zinc/67/70/50/588677050.db2.gz LXXMIRARUDSNPG-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO CSCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000852361221 588680099 /nfs/dbraw/zinc/68/00/99/588680099.db2.gz VUIOBFZKGVXQAR-MRVPVSSYSA-N 1 2 240.332 0.990 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CC[S@](C)=O ZINC000852443999 588682780 /nfs/dbraw/zinc/68/27/80/588682780.db2.gz QVTPBFRJQLCHTP-MUASLBFBSA-N 1 2 231.317 0.002 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CC[S@](C)=O ZINC000852443999 588682781 /nfs/dbraw/zinc/68/27/81/588682781.db2.gz QVTPBFRJQLCHTP-MUASLBFBSA-N 1 2 231.317 0.002 20 0 BCADLO COCC[N@H+](CCF)Cc1ccc(OC)nn1 ZINC000852479876 588683670 /nfs/dbraw/zinc/68/36/70/588683670.db2.gz JYTBYUVGRRINMO-UHFFFAOYSA-N 1 2 243.282 0.903 20 0 BCADLO COCC[N@@H+](CCF)Cc1ccc(OC)nn1 ZINC000852479876 588683671 /nfs/dbraw/zinc/68/36/71/588683671.db2.gz JYTBYUVGRRINMO-UHFFFAOYSA-N 1 2 243.282 0.903 20 0 BCADLO COCCN(CCF)Cc1[nH+]ccn1C ZINC000852480413 588683788 /nfs/dbraw/zinc/68/37/88/588683788.db2.gz VPZAEZAAZGBNCO-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@H+](CCF)CCN1CCCC1=O ZINC000852483797 588684668 /nfs/dbraw/zinc/68/46/68/588684668.db2.gz PLMFOBTZQISZJE-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COCC[N@@H+](CCF)CCN1CCCC1=O ZINC000852483797 588684669 /nfs/dbraw/zinc/68/46/69/588684669.db2.gz PLMFOBTZQISZJE-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NCC(C)C ZINC000852485471 588685107 /nfs/dbraw/zinc/68/51/07/588685107.db2.gz UTGQGRWJUUHCSO-UHFFFAOYSA-N 1 2 234.315 0.677 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NCC(C)C ZINC000852485471 588685108 /nfs/dbraw/zinc/68/51/08/588685108.db2.gz UTGQGRWJUUHCSO-UHFFFAOYSA-N 1 2 234.315 0.677 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000852494699 588685453 /nfs/dbraw/zinc/68/54/53/588685453.db2.gz FDUJIXIJEJCUKA-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000852494699 588685454 /nfs/dbraw/zinc/68/54/54/588685454.db2.gz FDUJIXIJEJCUKA-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO Cc1nonc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000852497776 588686074 /nfs/dbraw/zinc/68/60/74/588686074.db2.gz ZQOOUFXRYSSZIS-SECBINFHSA-N 1 2 227.264 0.225 20 0 BCADLO Cc1nonc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000852497776 588686075 /nfs/dbraw/zinc/68/60/75/588686075.db2.gz ZQOOUFXRYSSZIS-SECBINFHSA-N 1 2 227.264 0.225 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537492 588689010 /nfs/dbraw/zinc/68/90/10/588689010.db2.gz GCACKCKNLRNCOJ-CMPLNLGQSA-N 1 2 236.319 0.563 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537492 588689011 /nfs/dbraw/zinc/68/90/11/588689011.db2.gz GCACKCKNLRNCOJ-CMPLNLGQSA-N 1 2 236.319 0.563 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1ncccn1 ZINC000852567718 588691387 /nfs/dbraw/zinc/69/13/87/588691387.db2.gz SCWQLIRLOBWCLH-UHFFFAOYSA-N 1 2 238.291 0.607 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1ncccn1 ZINC000852567718 588691388 /nfs/dbraw/zinc/69/13/88/588691388.db2.gz SCWQLIRLOBWCLH-UHFFFAOYSA-N 1 2 238.291 0.607 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCC1OCCO1 ZINC000852576354 588691740 /nfs/dbraw/zinc/69/17/40/588691740.db2.gz ACCUZVZHTKREPI-NSHDSACASA-N 1 2 249.282 0.630 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852583746 588691943 /nfs/dbraw/zinc/69/19/43/588691943.db2.gz BGKDUNFRWRKHNX-YIZRAAEISA-N 1 2 211.261 0.195 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCO1)CC2 ZINC000860714302 589116183 /nfs/dbraw/zinc/11/61/83/589116183.db2.gz YMYPHIQHYQTZSP-JTQLQIEISA-N 1 2 235.287 0.918 20 0 BCADLO CCS(=O)(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000118392638 589169709 /nfs/dbraw/zinc/16/97/09/589169709.db2.gz CQNACCWNWDZVIA-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000118396790 589170002 /nfs/dbraw/zinc/17/00/02/589170002.db2.gz GDDLMDHHPHTMSZ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000118396790 589170004 /nfs/dbraw/zinc/17/00/04/589170004.db2.gz GDDLMDHHPHTMSZ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO C[C@@H]1SCC[N@H+](CCS(C)(=O)=O)[C@H]1C ZINC000118417448 589172550 /nfs/dbraw/zinc/17/25/50/589172550.db2.gz RRVVUDGLRKYWCT-IUCAKERBSA-N 1 2 237.390 0.857 20 0 BCADLO C[C@@H]1SCC[N@@H+](CCS(C)(=O)=O)[C@H]1C ZINC000118417448 589172551 /nfs/dbraw/zinc/17/25/51/589172551.db2.gz RRVVUDGLRKYWCT-IUCAKERBSA-N 1 2 237.390 0.857 20 0 BCADLO COc1nc(C(=O)NCc2c[nH+]cn2C)co1 ZINC000861752236 589176407 /nfs/dbraw/zinc/17/64/07/589176407.db2.gz COSPDIWHDMHVDY-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO CCOC(=O)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861758945 589176580 /nfs/dbraw/zinc/17/65/80/589176580.db2.gz FENNGKTWCXUFKM-UHFFFAOYSA-N 1 2 237.259 0.248 20 0 BCADLO CCOC(=O)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861758945 589176582 /nfs/dbraw/zinc/17/65/82/589176582.db2.gz FENNGKTWCXUFKM-UHFFFAOYSA-N 1 2 237.259 0.248 20 0 BCADLO COC/C(C)=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763507 589176707 /nfs/dbraw/zinc/17/67/07/589176707.db2.gz SBDFFEMGVZFGHJ-UITAMQMPSA-N 1 2 235.287 0.887 20 0 BCADLO COC/C(C)=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763507 589176709 /nfs/dbraw/zinc/17/67/09/589176709.db2.gz SBDFFEMGVZFGHJ-UITAMQMPSA-N 1 2 235.287 0.887 20 0 BCADLO CC(F)(F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762810 589177380 /nfs/dbraw/zinc/17/73/80/589177380.db2.gz GHKPTFPRNHDOQK-UHFFFAOYSA-N 1 2 215.203 0.950 20 0 BCADLO CC(F)(F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762810 589177381 /nfs/dbraw/zinc/17/73/81/589177381.db2.gz GHKPTFPRNHDOQK-UHFFFAOYSA-N 1 2 215.203 0.950 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1cccnn1 ZINC000861852746 589180418 /nfs/dbraw/zinc/18/04/18/589180418.db2.gz KIGACMVPJUGEAP-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1COCO1 ZINC000861980682 589189140 /nfs/dbraw/zinc/18/91/40/589189140.db2.gz HQWFLDADZNTEQX-WPRPVWTQSA-N 1 2 239.275 0.077 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1COCO1 ZINC000861980682 589189141 /nfs/dbraw/zinc/18/91/41/589189141.db2.gz HQWFLDADZNTEQX-WPRPVWTQSA-N 1 2 239.275 0.077 20 0 BCADLO Cc1[nH]c(CN2CCCC[C@@H]2C(N)=O)[nH+]c1C ZINC000862213081 589194624 /nfs/dbraw/zinc/19/46/24/589194624.db2.gz MXUZTNXAKQYLSO-SNVBAGLBSA-N 1 2 236.319 0.866 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H]2CCCCNC2=O)[nH+]1 ZINC000862237483 589196078 /nfs/dbraw/zinc/19/60/78/589196078.db2.gz QKUGVORJMNWBSV-JTQLQIEISA-N 1 2 236.319 0.819 20 0 BCADLO CCN(CC(=O)OC)Cc1[nH]cc(C)[nH+]1 ZINC000862239116 589196199 /nfs/dbraw/zinc/19/61/99/589196199.db2.gz WFCNIWJKBZOEBI-UHFFFAOYSA-N 1 2 211.265 0.713 20 0 BCADLO Cc1c[nH]c(CN2CCN3C(=O)OC[C@H]3C2)[nH+]1 ZINC000862248630 589197699 /nfs/dbraw/zinc/19/76/99/589197699.db2.gz OJXPOBQYYGXLLY-SECBINFHSA-N 1 2 236.275 0.355 20 0 BCADLO COC(=O)[C@@H](CF)NCc1[nH]cc(C)[nH+]1 ZINC000862369342 589205014 /nfs/dbraw/zinc/20/50/14/589205014.db2.gz SGIGHZFGQTXFMR-SSDOTTSWSA-N 1 2 215.228 0.319 20 0 BCADLO COC(=O)[C@H](CF)NCc1[nH]cc(C)[nH+]1 ZINC000862369356 589205248 /nfs/dbraw/zinc/20/52/48/589205248.db2.gz SGIGHZFGQTXFMR-ZETCQYMHSA-N 1 2 215.228 0.319 20 0 BCADLO Cc1c(C[N@@H+]2CCOC[C@@H](O)C2)ccnc1F ZINC000862383119 589206669 /nfs/dbraw/zinc/20/66/69/589206669.db2.gz KSYQITQYYKZDPW-NSHDSACASA-N 1 2 240.278 0.722 20 0 BCADLO Cc1c(C[N@H+]2CCOC[C@@H](O)C2)ccnc1F ZINC000862383119 589206670 /nfs/dbraw/zinc/20/66/70/589206670.db2.gz KSYQITQYYKZDPW-NSHDSACASA-N 1 2 240.278 0.722 20 0 BCADLO OCC[NH+](CCO)Cc1ccnc(Cl)c1F ZINC000862429458 589212410 /nfs/dbraw/zinc/21/24/10/589212410.db2.gz ILFCQVYFFRVFFR-UHFFFAOYSA-N 1 2 248.685 0.661 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862534460 589218470 /nfs/dbraw/zinc/21/84/70/589218470.db2.gz CHCWIJXMQZEABM-SNVBAGLBSA-N 1 2 224.260 0.356 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862534460 589218472 /nfs/dbraw/zinc/21/84/72/589218472.db2.gz CHCWIJXMQZEABM-SNVBAGLBSA-N 1 2 224.260 0.356 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cocn3)C[C@H]12 ZINC000862546707 589219871 /nfs/dbraw/zinc/21/98/71/589219871.db2.gz QBDKEEVLUBQORV-CBAPKCEASA-N 1 2 208.217 0.279 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cocn3)C[C@H]12 ZINC000862546707 589219872 /nfs/dbraw/zinc/21/98/72/589219872.db2.gz QBDKEEVLUBQORV-CBAPKCEASA-N 1 2 208.217 0.279 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nn1cccn1)CC2 ZINC000862771958 589240764 /nfs/dbraw/zinc/24/07/64/589240764.db2.gz NKHHIVMKEFIUEN-SNVBAGLBSA-N 1 2 245.286 0.721 20 0 BCADLO COC/C(C)=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969202 589249362 /nfs/dbraw/zinc/24/93/62/589249362.db2.gz JSVDHAKESINUBG-CDCCAWJDSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C(C)=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969202 589249364 /nfs/dbraw/zinc/24/93/64/589249364.db2.gz JSVDHAKESINUBG-CDCCAWJDSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C(C)=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969203 589249572 /nfs/dbraw/zinc/24/95/72/589249572.db2.gz JSVDHAKESINUBG-RUYJGKKWSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C(C)=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969203 589249573 /nfs/dbraw/zinc/24/95/73/589249573.db2.gz JSVDHAKESINUBG-RUYJGKKWSA-N 1 2 242.319 0.026 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC000862969996 589249917 /nfs/dbraw/zinc/24/99/17/589249917.db2.gz ROMGOEUGFJZYNW-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC000862969996 589249918 /nfs/dbraw/zinc/24/99/18/589249918.db2.gz ROMGOEUGFJZYNW-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO C/C(=C\C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000862972917 589250194 /nfs/dbraw/zinc/25/01/94/589250194.db2.gz HTLBECWCDBZOQT-OFFHKIPUSA-N 1 2 238.331 0.790 20 0 BCADLO C/C(=C\C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000862972917 589250196 /nfs/dbraw/zinc/25/01/96/589250196.db2.gz HTLBECWCDBZOQT-OFFHKIPUSA-N 1 2 238.331 0.790 20 0 BCADLO C/C(=C/C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000862972919 589250339 /nfs/dbraw/zinc/25/03/39/589250339.db2.gz HTLBECWCDBZOQT-UMAGTOLTSA-N 1 2 238.331 0.790 20 0 BCADLO C/C(=C/C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000862972919 589250340 /nfs/dbraw/zinc/25/03/40/589250340.db2.gz HTLBECWCDBZOQT-UMAGTOLTSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000862973544 589250353 /nfs/dbraw/zinc/25/03/53/589250353.db2.gz PVASSCZNXQXAAI-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000862973544 589250354 /nfs/dbraw/zinc/25/03/54/589250354.db2.gz PVASSCZNXQXAAI-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)=C(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862972084 589250358 /nfs/dbraw/zinc/25/03/58/589250358.db2.gz YEDLUULCIYGFBW-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=C(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862972084 589250359 /nfs/dbraw/zinc/25/03/59/589250359.db2.gz YEDLUULCIYGFBW-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC000862971452 589250362 /nfs/dbraw/zinc/25/03/62/589250362.db2.gz SOXAWAVYKBUCHG-ZWNMCFTASA-N 1 2 224.304 0.399 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC000862971452 589250363 /nfs/dbraw/zinc/25/03/63/589250363.db2.gz SOXAWAVYKBUCHG-ZWNMCFTASA-N 1 2 224.304 0.399 20 0 BCADLO CS/C=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862970767 589250440 /nfs/dbraw/zinc/25/04/40/589250440.db2.gz MXXPMJAFWGAQPK-SWTNXBIASA-N 1 2 230.333 0.310 20 0 BCADLO CS/C=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862970767 589250441 /nfs/dbraw/zinc/25/04/41/589250441.db2.gz MXXPMJAFWGAQPK-SWTNXBIASA-N 1 2 230.333 0.310 20 0 BCADLO COC(=O)c1cn(C[NH+](C2CC2)C2CC2)nn1 ZINC000863304089 589277537 /nfs/dbraw/zinc/27/75/37/589277537.db2.gz NAXKQYVEKBCWBE-UHFFFAOYSA-N 1 2 236.275 0.649 20 0 BCADLO COC1(C(N)=[NH+]OCCOCCO)CCCC1 ZINC000863477664 589292232 /nfs/dbraw/zinc/29/22/32/589292232.db2.gz RSULIZZNHXDADN-UHFFFAOYSA-N 1 2 246.307 0.453 20 0 BCADLO COC1(C(N)=[NH+]O[C@@H]2CCNC2=O)CCCC1 ZINC000863477946 589292344 /nfs/dbraw/zinc/29/23/44/589292344.db2.gz DBPBOPOHEYISLT-MRVPVSSYSA-N 1 2 241.291 0.333 20 0 BCADLO COC1C[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000863970915 589330280 /nfs/dbraw/zinc/33/02/80/589330280.db2.gz XDXPWNZDRFXPAQ-CMPLNLGQSA-N 1 2 229.320 0.229 20 0 BCADLO CCc1nnc(NCC[NH+]2CCOCC2)o1 ZINC000863980025 589332388 /nfs/dbraw/zinc/33/23/88/589332388.db2.gz BUNULCZJTZAEPB-UHFFFAOYSA-N 1 2 226.280 0.376 20 0 BCADLO COCc1nn(C[N@H+](C)C2CCC2)c(=O)o1 ZINC000119766209 589333519 /nfs/dbraw/zinc/33/35/19/589333519.db2.gz HYYQJWFLZRBTEJ-UHFFFAOYSA-N 1 2 227.264 0.425 20 0 BCADLO COCc1nn(C[N@@H+](C)C2CCC2)c(=O)o1 ZINC000119766209 589333521 /nfs/dbraw/zinc/33/35/21/589333521.db2.gz HYYQJWFLZRBTEJ-UHFFFAOYSA-N 1 2 227.264 0.425 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000864053915 589334632 /nfs/dbraw/zinc/33/46/32/589334632.db2.gz PYMGXIGUSKZLMW-LURJTMIESA-N 1 2 244.320 0.344 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000864060787 589337057 /nfs/dbraw/zinc/33/70/57/589337057.db2.gz NIVYVJKPKVTFRH-CABZTGNLSA-N 1 2 235.287 0.447 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000864071156 589338805 /nfs/dbraw/zinc/33/88/05/589338805.db2.gz ZGXMPUCSICPBOB-VIFPVBQESA-N 1 2 223.276 0.636 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cc2c[nH+]c[nH]2)CO1 ZINC000864071156 589338806 /nfs/dbraw/zinc/33/88/06/589338806.db2.gz ZGXMPUCSICPBOB-VIFPVBQESA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](O)c1cccc(N2CC(C)(C(N)=O)C2)[nH+]1 ZINC000864090457 589343658 /nfs/dbraw/zinc/34/36/58/589343658.db2.gz GHNHIOQZYBCEPF-MRVPVSSYSA-N 1 2 235.287 0.447 20 0 BCADLO CC[C@H]1CC[N@H+](Cn2nc(COC)oc2=O)C1 ZINC000119843514 589345442 /nfs/dbraw/zinc/34/54/42/589345442.db2.gz CZLQIMCGWPHGFV-VIFPVBQESA-N 1 2 241.291 0.672 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2nc(COC)oc2=O)C1 ZINC000119843514 589345444 /nfs/dbraw/zinc/34/54/44/589345444.db2.gz CZLQIMCGWPHGFV-VIFPVBQESA-N 1 2 241.291 0.672 20 0 BCADLO C[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864405817 589358698 /nfs/dbraw/zinc/35/86/98/589358698.db2.gz QUJOITLSTVXEGU-WPRPVWTQSA-N 1 2 223.276 0.702 20 0 BCADLO CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864439613 589363016 /nfs/dbraw/zinc/36/30/16/589363016.db2.gz CSFVNPOTNGKQBC-ONEGZZNKSA-N 1 2 212.293 0.401 20 0 BCADLO CC(C)CO[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000120074762 589372630 /nfs/dbraw/zinc/37/26/30/589372630.db2.gz HUADROUANSTRAO-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)CO[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC000120074762 589372632 /nfs/dbraw/zinc/37/26/32/589372632.db2.gz HUADROUANSTRAO-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CSCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864538236 589376329 /nfs/dbraw/zinc/37/63/29/589376329.db2.gz ROCGANGWURVYJQ-NSCUHMNNSA-N 1 2 244.360 0.354 20 0 BCADLO O=C(C=CC[NH+]1CCOCC1)Nc1ccncc1 ZINC000864611173 589383628 /nfs/dbraw/zinc/38/36/28/589383628.db2.gz WYDRSTLHFCZBED-OWOJBTEDSA-N 1 2 247.298 0.330 20 0 BCADLO C[C@H](C1CC1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864688638 589389771 /nfs/dbraw/zinc/38/97/71/589389771.db2.gz FKFSNAXZGIBPMK-GMSGAONNSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)[C@@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864773614 589393485 /nfs/dbraw/zinc/39/34/85/589393485.db2.gz MMXFSFAHJILHCF-PSASIEDQSA-N 1 2 225.292 0.946 20 0 BCADLO CCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864810641 589394970 /nfs/dbraw/zinc/39/49/70/589394970.db2.gz FPVRTRDATXRASC-SNAWJCMRSA-N 1 2 212.293 0.353 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000864807269 589395136 /nfs/dbraw/zinc/39/51/36/589395136.db2.gz SWFVNXDSGQGUGR-MRTMQBJTSA-N 1 2 239.275 0.079 20 0 BCADLO CC(C)CN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864812881 589395466 /nfs/dbraw/zinc/39/54/66/589395466.db2.gz GTERDDYTWXGDRI-SNAWJCMRSA-N 1 2 240.347 0.989 20 0 BCADLO COC/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864883398 589399813 /nfs/dbraw/zinc/39/98/13/589399813.db2.gz APHMQYRFCPJHHO-UMBAGQNISA-N 1 2 223.276 0.590 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865140723 589410582 /nfs/dbraw/zinc/41/05/82/589410582.db2.gz JJIINULESYSVAQ-PSASIEDQSA-N 1 2 223.276 0.844 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ccc(F)nn1 ZINC000865502230 589441602 /nfs/dbraw/zinc/44/16/02/589441602.db2.gz ITOIZLDEMLAOFQ-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO CC(C)n1ncnc1C[NH2+]CC1(C)OCCO1 ZINC000865518504 589442904 /nfs/dbraw/zinc/44/29/04/589442904.db2.gz RFEBRRCXZADDBG-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO Cc1nc(N[C@@H](CCO)C2CC2)nc(N)[nH+]1 ZINC000865553003 589445747 /nfs/dbraw/zinc/44/57/47/589445747.db2.gz QMJHTBLWWCVZTK-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CCO)C2CC2)[nH+]1 ZINC000865553003 589445748 /nfs/dbraw/zinc/44/57/48/589445748.db2.gz QMJHTBLWWCVZTK-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)O1 ZINC000865574784 589448025 /nfs/dbraw/zinc/44/80/25/589448025.db2.gz DJNYGGSXOGXFRS-SECBINFHSA-N 1 2 220.228 0.456 20 0 BCADLO C[C@@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)[nH+]c1 ZINC000865647018 589453918 /nfs/dbraw/zinc/45/39/18/589453918.db2.gz LXOVMIUIJZCSHJ-PSASIEDQSA-N 1 2 235.287 0.460 20 0 BCADLO CCCNc1cc(N(C)[C@@H]2CCNC2=O)nc[nH+]1 ZINC000865646727 589454059 /nfs/dbraw/zinc/45/40/59/589454059.db2.gz DARYCNLSIPTZCR-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N(C)[C@@H]2CCNC2=O)[nH+]cn1 ZINC000865646727 589454060 /nfs/dbraw/zinc/45/40/60/589454060.db2.gz DARYCNLSIPTZCR-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO C[C@@H](O)c1ccc(N(C)[C@H]2CCNC2=O)[nH+]c1 ZINC000865647019 589454089 /nfs/dbraw/zinc/45/40/89/589454089.db2.gz LXOVMIUIJZCSHJ-SCZZXKLOSA-N 1 2 235.287 0.460 20 0 BCADLO C[C@H](O)c1ccc(N2CC(CO)C2)[nH+]c1 ZINC000865673526 589455605 /nfs/dbraw/zinc/45/56/05/589455605.db2.gz FBTVTTVTXHGIKD-QMMMGPOBSA-N 1 2 208.261 0.563 20 0 BCADLO CCCNc1cc(N2CC(CO)C2)nc[nH+]1 ZINC000865673397 589455653 /nfs/dbraw/zinc/45/56/53/589455653.db2.gz AQBLMCUJAMDMIU-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO CCCNc1cc(N2CC(CO)C2)[nH+]cn1 ZINC000865673397 589455654 /nfs/dbraw/zinc/45/56/54/589455654.db2.gz AQBLMCUJAMDMIU-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO c1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)[nH]n1 ZINC000865691680 589456311 /nfs/dbraw/zinc/45/63/11/589456311.db2.gz DERGOEQXQQRVLD-TZAKJNRTSA-N 1 2 219.288 0.923 20 0 BCADLO CC[C@@H](C)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865696990 589456954 /nfs/dbraw/zinc/45/69/54/589456954.db2.gz VNEBFRQLWMTHJK-SCZZXKLOSA-N 1 2 225.292 0.948 20 0 BCADLO Cc1nc(N2CCO[C@@H](C(F)F)C2)nc(N)[nH+]1 ZINC000865763062 589461309 /nfs/dbraw/zinc/46/13/09/589461309.db2.gz BXEKEALSKBBOCZ-ZCFIWIBFSA-N 1 2 245.233 0.233 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C(F)F)C2)[nH+]1 ZINC000865763062 589461310 /nfs/dbraw/zinc/46/13/10/589461310.db2.gz BXEKEALSKBBOCZ-ZCFIWIBFSA-N 1 2 245.233 0.233 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865872493 589466530 /nfs/dbraw/zinc/46/65/30/589466530.db2.gz XEOQCMWTHGVDSZ-DVVUODLYSA-N 1 2 238.287 0.961 20 0 BCADLO CC[C@@H]1COCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865905800 589468051 /nfs/dbraw/zinc/46/80/51/589468051.db2.gz XBIDQMPYILRJBY-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO COC/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002216 589471998 /nfs/dbraw/zinc/47/19/98/589471998.db2.gz PCJZDJPLIIRDLA-BYCRGOAPSA-N 1 2 237.303 0.838 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nccc(N)n1 ZINC000866004915 589472294 /nfs/dbraw/zinc/47/22/94/589472294.db2.gz MPPOVJBXYOROJM-UHFFFAOYSA-N 1 2 246.274 0.036 20 0 BCADLO C[C@H](O)[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000866111881 589477078 /nfs/dbraw/zinc/47/70/78/589477078.db2.gz NAFFCVBNGSYAIE-IONNQARKSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@H](O)[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000866111881 589477079 /nfs/dbraw/zinc/47/70/79/589477079.db2.gz NAFFCVBNGSYAIE-IONNQARKSA-N 1 2 238.291 0.205 20 0 BCADLO O=C1OC[C@@]2(CNc3cccc[nH+]3)COCCN12 ZINC000866155869 589478104 /nfs/dbraw/zinc/47/81/04/589478104.db2.gz AOGYLOLESIBEED-GFCCVEGCSA-N 1 2 249.270 0.715 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc[nH]1 ZINC000866148506 589478122 /nfs/dbraw/zinc/47/81/22/589478122.db2.gz FOXSVPLXDAOUPH-RQOWECAXSA-N 1 2 249.314 0.519 20 0 BCADLO CC(C)[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481287 589495769 /nfs/dbraw/zinc/49/57/69/589495769.db2.gz NPTFNWIQJAQWIF-GXSJLCMTSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481584 589495839 /nfs/dbraw/zinc/49/58/39/589495839.db2.gz QXPUZZMSLBTRCL-SCZZXKLOSA-N 1 2 223.276 0.702 20 0 BCADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC(O)C1 ZINC000866544321 589500122 /nfs/dbraw/zinc/50/01/22/589500122.db2.gz NNFISQYIEFFZAZ-UHFFFAOYSA-N 1 2 249.245 0.219 20 0 BCADLO COC(C)(C)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866562761 589500790 /nfs/dbraw/zinc/50/07/90/589500790.db2.gz FNEUDJLBLIRHHO-VIFPVBQESA-N 1 2 241.291 0.327 20 0 BCADLO CN(Cc1cccn1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866620775 589505276 /nfs/dbraw/zinc/50/52/76/589505276.db2.gz UKBXKIQMMZIEQO-LLVKDONJSA-N 1 2 248.286 0.440 20 0 BCADLO Nc1ccc2c(c1)OCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000866688857 589512237 /nfs/dbraw/zinc/51/22/37/589512237.db2.gz ATMFJJBGNDVMAU-NSHDSACASA-N 1 2 247.298 0.352 20 0 BCADLO Nc1ccc2c(c1)OCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000866688857 589512238 /nfs/dbraw/zinc/51/22/38/589512238.db2.gz ATMFJJBGNDVMAU-NSHDSACASA-N 1 2 247.298 0.352 20 0 BCADLO C[C@@H]1OCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866703293 589514004 /nfs/dbraw/zinc/51/40/04/589514004.db2.gz KQANHBXDQANOBZ-NRPADANISA-N 1 2 239.275 0.079 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000867549548 589525030 /nfs/dbraw/zinc/52/50/30/589525030.db2.gz PLUKHYJCBKTSKZ-KRPLZJQNSA-N 1 2 244.310 0.775 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000867549548 589525031 /nfs/dbraw/zinc/52/50/31/589525031.db2.gz PLUKHYJCBKTSKZ-KRPLZJQNSA-N 1 2 244.310 0.775 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCCO1 ZINC000867679383 589530581 /nfs/dbraw/zinc/53/05/81/589530581.db2.gz XELRYJMUNLZWSI-ARJAWSKDSA-N 1 2 240.303 0.429 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000867938498 589540803 /nfs/dbraw/zinc/54/08/03/589540803.db2.gz JJRBQTKHZFEBHQ-ROUHBEFFSA-N 1 2 238.331 0.884 20 0 BCADLO CC1=C[C@@H](C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867984029 589542441 /nfs/dbraw/zinc/54/24/41/589542441.db2.gz LXKBJCLZUUTLIV-LDYMZIIASA-N 1 2 235.287 0.868 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868285183 589553568 /nfs/dbraw/zinc/55/35/68/589553568.db2.gz FTSQAUAUVNBXCA-SECBINFHSA-N 1 2 241.291 0.879 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCCN1 ZINC000868287985 589553584 /nfs/dbraw/zinc/55/35/84/589553584.db2.gz SJUFEBAUACECRC-ONEGZZNKSA-N 1 2 239.319 0.002 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H]1C(F)(F)F ZINC000868439880 589558182 /nfs/dbraw/zinc/55/81/82/589558182.db2.gz YXAHMWOPDMCZAH-BQBZGAKWSA-N 1 2 249.192 0.606 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC(C2CC2)C1 ZINC000868481505 589560349 /nfs/dbraw/zinc/56/03/49/589560349.db2.gz HABBWBMOUXJPNQ-SNVBAGLBSA-N 1 2 221.260 0.312 20 0 BCADLO CCN(C[C@@H](C)OC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868493418 589560683 /nfs/dbraw/zinc/56/06/83/589560683.db2.gz QWQGBBXDGMUSCT-PSASIEDQSA-N 1 2 241.291 0.327 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868539031 589563053 /nfs/dbraw/zinc/56/30/53/589563053.db2.gz MSESKPHANGQRSL-VXNVDRBHSA-N 1 2 209.249 0.454 20 0 BCADLO CC(C)(C)C1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868835795 589578651 /nfs/dbraw/zinc/57/86/51/589578651.db2.gz PVXNKLSSONREPO-SNVBAGLBSA-N 1 2 237.303 0.948 20 0 BCADLO COCC1(N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000869235596 589593419 /nfs/dbraw/zinc/59/34/19/589593419.db2.gz XTPIVHMGTRHSSB-SECBINFHSA-N 1 2 239.275 0.081 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(C1CC1)C1CC1 ZINC000869421132 589604849 /nfs/dbraw/zinc/60/48/49/589604849.db2.gz OTPGAXAULMSEFK-SNVBAGLBSA-N 1 2 221.260 0.597 20 0 BCADLO CC(C)NC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123129817 589665357 /nfs/dbraw/zinc/66/53/57/589665357.db2.gz STCYNDWHDQYSRH-SNVBAGLBSA-N 1 2 244.408 0.105 20 0 BCADLO CC(C)NC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123129817 589665358 /nfs/dbraw/zinc/66/53/58/589665358.db2.gz STCYNDWHDQYSRH-SNVBAGLBSA-N 1 2 244.408 0.105 20 0 BCADLO CC1(NC(=O)c2cccc3[nH+]ccn32)COC1 ZINC000870664198 589680918 /nfs/dbraw/zinc/68/09/18/589680918.db2.gz GBOAQWPHOKARCZ-UHFFFAOYSA-N 1 2 231.255 0.853 20 0 BCADLO CO[C@H]1CC[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000870716738 589686091 /nfs/dbraw/zinc/68/60/91/589686091.db2.gz QOYQACAYYKUODE-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO O=C(CO)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000871419504 589758029 /nfs/dbraw/zinc/75/80/29/589758029.db2.gz IYEQMCOXKWUVNF-LLVKDONJSA-N 1 2 247.298 0.385 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCO[C@H]1C ZINC000871735931 589801258 /nfs/dbraw/zinc/80/12/58/589801258.db2.gz ZZQFROSXEIEBLC-YIZRAAEISA-N 1 2 216.281 0.945 20 0 BCADLO NC(COC1CCC1)=[NH+]O[C@H]1CCOC1 ZINC000871778365 589814405 /nfs/dbraw/zinc/81/44/05/589814405.db2.gz FOWZPVLQSRJVMS-VIFPVBQESA-N 1 2 214.265 0.843 20 0 BCADLO CC(C)(O)C[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000871981652 589852315 /nfs/dbraw/zinc/85/23/15/589852315.db2.gz HEFLGCYNTSPZMF-SSDOTTSWSA-N 1 2 239.262 0.432 20 0 BCADLO O[C@H](C[NH+]1CC2(C1)CCCO2)c1ccccn1 ZINC000871984760 589852451 /nfs/dbraw/zinc/85/24/51/589852451.db2.gz GFTNCZFIYHQVMS-GFCCVEGCSA-N 1 2 234.299 0.980 20 0 BCADLO Cc1nonc1C[NH2+][C@H](C)c1ccnn1C ZINC000872137291 589879484 /nfs/dbraw/zinc/87/94/84/589879484.db2.gz RWNZGRGOJZXJIG-MRVPVSSYSA-N 1 2 221.264 0.962 20 0 BCADLO CC(C)(O)C[C@H](O)C[NH2+]CC(C)(F)F ZINC000872209585 589893607 /nfs/dbraw/zinc/89/36/07/589893607.db2.gz VYQLJITWPWWMNU-ZETCQYMHSA-N 1 2 211.252 0.753 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)CCF)C1=O ZINC000872265274 589902495 /nfs/dbraw/zinc/90/24/95/589902495.db2.gz MVQGMTSQEKBIJD-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)CCF)C1=O ZINC000872265274 589902496 /nfs/dbraw/zinc/90/24/96/589902496.db2.gz MVQGMTSQEKBIJD-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)CC2OCCO2)C1=O ZINC000872267377 589902632 /nfs/dbraw/zinc/90/26/32/589902632.db2.gz PVJUCRXOXXIVDK-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)CC2OCCO2)C1=O ZINC000872267377 589902635 /nfs/dbraw/zinc/90/26/35/589902635.db2.gz PVJUCRXOXXIVDK-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CCNC(=O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317662 589910523 /nfs/dbraw/zinc/91/05/23/589910523.db2.gz ZVCVZFCPPYPZBR-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO CCNC(=O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317662 589910525 /nfs/dbraw/zinc/91/05/25/589910525.db2.gz ZVCVZFCPPYPZBR-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO Nc1cnc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000873208656 589995383 /nfs/dbraw/zinc/99/53/83/589995383.db2.gz ZQARBJAAVITVDB-NSHDSACASA-N 1 2 234.303 0.670 20 0 BCADLO Nc1cnc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000873208656 589995388 /nfs/dbraw/zinc/99/53/88/589995388.db2.gz ZQARBJAAVITVDB-NSHDSACASA-N 1 2 234.303 0.670 20 0 BCADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CCC(=O)N1 ZINC000873458571 590046412 /nfs/dbraw/zinc/04/64/12/590046412.db2.gz JQVDDFZLOIDMEW-NSHDSACASA-N 1 2 237.259 0.095 20 0 BCADLO CCN(CCO)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124920186 590099108 /nfs/dbraw/zinc/09/91/08/590099108.db2.gz MQGXTMSVJXMLRE-SECBINFHSA-N 1 2 210.277 0.954 20 0 BCADLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000875016724 590159719 /nfs/dbraw/zinc/15/97/19/590159719.db2.gz VPBUBYPYRMRUAQ-PSASIEDQSA-N 1 2 234.303 0.906 20 0 BCADLO c1cnc(C[NH+]2CCC3(CC2)OCCO3)nc1 ZINC000125446496 590165053 /nfs/dbraw/zinc/16/50/53/590165053.db2.gz LXSDCGCEYJNBJB-UHFFFAOYSA-N 1 2 235.287 0.816 20 0 BCADLO O=C(N[C@H]1C=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875728899 590169818 /nfs/dbraw/zinc/16/98/18/590169818.db2.gz GIPRUFZNYNANEJ-VHSXEESVSA-N 1 2 232.287 0.826 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC1OCCO1 ZINC000125891094 590196374 /nfs/dbraw/zinc/19/63/74/590196374.db2.gz LVFIDDJYCLJONN-CLAHSXSESA-N 1 2 221.322 0.058 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC1OCCO1 ZINC000125891094 590196375 /nfs/dbraw/zinc/19/63/75/590196375.db2.gz LVFIDDJYCLJONN-CLAHSXSESA-N 1 2 221.322 0.058 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CCC(=O)O2)c[nH+]1 ZINC000876522871 590208082 /nfs/dbraw/zinc/20/80/82/590208082.db2.gz FLSAJPHDPHXPMW-SSDOTTSWSA-N 1 2 221.216 0.308 20 0 BCADLO COc1cncc(C[N@@H+]2CCCNC(=O)C2)c1C ZINC000876639160 590224884 /nfs/dbraw/zinc/22/48/84/590224884.db2.gz BJBOJHRGRWFORE-UHFFFAOYSA-N 1 2 249.314 0.721 20 0 BCADLO COc1cncc(C[N@H+]2CCCNC(=O)C2)c1C ZINC000876639160 590224885 /nfs/dbraw/zinc/22/48/85/590224885.db2.gz BJBOJHRGRWFORE-UHFFFAOYSA-N 1 2 249.314 0.721 20 0 BCADLO CCCn1cc(C[N@H+](CCO)CCOC)nn1 ZINC000876682512 590230446 /nfs/dbraw/zinc/23/04/46/590230446.db2.gz IVLWNKQOQDYWMJ-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCCn1cc(C[N@@H+](CCO)CCOC)nn1 ZINC000876682512 590230447 /nfs/dbraw/zinc/23/04/47/590230447.db2.gz IVLWNKQOQDYWMJ-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CC[NH2+][C@@H](C)C(=O)N=c1sccn1C ZINC000876706194 590232031 /nfs/dbraw/zinc/23/20/31/590232031.db2.gz JVNWPIBXXVUEER-ZETCQYMHSA-N 1 2 213.306 0.512 20 0 BCADLO Cc1cnc(C[NH2+]CC2(C)OCCO2)o1 ZINC000877117859 590288653 /nfs/dbraw/zinc/28/86/53/590288653.db2.gz AUNIPBXFGFBTCQ-UHFFFAOYSA-N 1 2 212.249 0.836 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000877432088 590326424 /nfs/dbraw/zinc/32/64/24/590326424.db2.gz AQOXQCBEDJGMMU-CMPLNLGQSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000877432088 590326426 /nfs/dbraw/zinc/32/64/26/590326426.db2.gz AQOXQCBEDJGMMU-CMPLNLGQSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000877462563 590332331 /nfs/dbraw/zinc/33/23/31/590332331.db2.gz SQRXYFQUYVTWGD-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000877462563 590332333 /nfs/dbraw/zinc/33/23/33/590332333.db2.gz SQRXYFQUYVTWGD-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877469584 590334653 /nfs/dbraw/zinc/33/46/53/590334653.db2.gz WPVXYKCKECVBRI-UHFFFAOYSA-N 1 2 249.270 0.841 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877469584 590334655 /nfs/dbraw/zinc/33/46/55/590334655.db2.gz WPVXYKCKECVBRI-UHFFFAOYSA-N 1 2 249.270 0.841 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000877470529 590335102 /nfs/dbraw/zinc/33/51/02/590335102.db2.gz FWGKQTZJETVDDC-UWVGGRQHSA-N 1 2 237.303 0.949 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000877470531 590335166 /nfs/dbraw/zinc/33/51/66/590335166.db2.gz FWGKQTZJETVDDC-ZJUUUORDSA-N 1 2 237.303 0.949 20 0 BCADLO CCCn1cc(C[N@H+](C)CCCO)nn1 ZINC000877499329 590341874 /nfs/dbraw/zinc/34/18/74/590341874.db2.gz NYQLGVUXZPDVQC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCn1cc(C[N@@H+](C)CCCO)nn1 ZINC000877499329 590341877 /nfs/dbraw/zinc/34/18/77/590341877.db2.gz NYQLGVUXZPDVQC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCn1cc(C[N@H+](C)CCOCCO)nn1 ZINC000877502706 590343169 /nfs/dbraw/zinc/34/31/69/590343169.db2.gz QMVQNFOYRRDLFX-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCCn1cc(C[N@@H+](C)CCOCCO)nn1 ZINC000877502706 590343171 /nfs/dbraw/zinc/34/31/71/590343171.db2.gz QMVQNFOYRRDLFX-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO O[C@@]1(C(F)F)CC[N@H+](Cc2ccon2)C1 ZINC000877562824 590360181 /nfs/dbraw/zinc/36/01/81/590360181.db2.gz AMZMQFQMGZYMSA-VIFPVBQESA-N 1 2 218.203 0.877 20 0 BCADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2ccon2)C1 ZINC000877562824 590360184 /nfs/dbraw/zinc/36/01/84/590360184.db2.gz AMZMQFQMGZYMSA-VIFPVBQESA-N 1 2 218.203 0.877 20 0 BCADLO CCC[C@@H](C[NH+]1CC2(C1)CN(C)C(=O)O2)OC ZINC000877595545 590370478 /nfs/dbraw/zinc/37/04/78/590370478.db2.gz DNDFVWQQADUIBJ-JTQLQIEISA-N 1 2 242.319 0.938 20 0 BCADLO CCONC(=O)C[NH2+]CC1CCSCC1 ZINC000877613400 590373363 /nfs/dbraw/zinc/37/33/63/590373363.db2.gz HUTPVNMKJWBQOE-UHFFFAOYSA-N 1 2 232.349 0.787 20 0 BCADLO Cn1cc(C[NH2+]C2(C)COC2)c(Cl)n1 ZINC000877690572 590392757 /nfs/dbraw/zinc/39/27/57/590392757.db2.gz AXGCWJDQBSMRIJ-UHFFFAOYSA-N 1 2 215.684 0.952 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@@H]1O ZINC000877748957 590412830 /nfs/dbraw/zinc/41/28/30/590412830.db2.gz NRIUHKXAXVALQN-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1O ZINC000877748957 590412831 /nfs/dbraw/zinc/41/28/31/590412831.db2.gz NRIUHKXAXVALQN-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC000877749927 590413955 /nfs/dbraw/zinc/41/39/55/590413955.db2.gz CAEUBWXKOIKKSF-MNOVXSKESA-N 1 2 248.282 0.755 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC000877749927 590413957 /nfs/dbraw/zinc/41/39/57/590413957.db2.gz CAEUBWXKOIKKSF-MNOVXSKESA-N 1 2 248.282 0.755 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750175 590413976 /nfs/dbraw/zinc/41/39/76/590413976.db2.gz JMEGYKXEACSQSS-MNOVXSKESA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750175 590413978 /nfs/dbraw/zinc/41/39/78/590413978.db2.gz JMEGYKXEACSQSS-MNOVXSKESA-N 1 2 239.319 0.392 20 0 BCADLO CCc1cnc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877749850 590414061 /nfs/dbraw/zinc/41/40/61/590414061.db2.gz YRWAKLRVLCLKNZ-ZJUUUORDSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877749850 590414063 /nfs/dbraw/zinc/41/40/63/590414063.db2.gz YRWAKLRVLCLKNZ-ZJUUUORDSA-N 1 2 242.344 0.633 20 0 BCADLO Cc1cc(C[NH+]2CCC(CO)(CO)CC2)no1 ZINC000877796686 590424614 /nfs/dbraw/zinc/42/46/14/590424614.db2.gz SZNLABDUTDYNKV-UHFFFAOYSA-N 1 2 240.303 0.550 20 0 BCADLO Cc1ccncc1C[N@H+](C)CCS(N)(=O)=O ZINC000877825748 590428572 /nfs/dbraw/zinc/42/85/72/590428572.db2.gz AWGIJDYMUHVSQZ-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1ccncc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877825748 590428574 /nfs/dbraw/zinc/42/85/74/590428574.db2.gz AWGIJDYMUHVSQZ-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO O[C@@H](C[NH+]1CCOCC1)CC1(O)CCCCC1 ZINC000877900975 590443156 /nfs/dbraw/zinc/44/31/56/590443156.db2.gz PADDIWAZPOHUOP-GFCCVEGCSA-N 1 2 243.347 0.765 20 0 BCADLO COC(=O)CN(C)Cc1[nH+]ccn1CC(F)F ZINC000877921155 590447820 /nfs/dbraw/zinc/44/78/20/590447820.db2.gz FRTAALIZFMSFAP-UHFFFAOYSA-N 1 2 247.245 0.753 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000877935636 590452117 /nfs/dbraw/zinc/45/21/17/590452117.db2.gz PWMVLCQPVKUBGC-LLVKDONJSA-N 1 2 249.314 0.785 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000877935636 590452118 /nfs/dbraw/zinc/45/21/18/590452118.db2.gz PWMVLCQPVKUBGC-LLVKDONJSA-N 1 2 249.314 0.785 20 0 BCADLO CC(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000877988949 590466769 /nfs/dbraw/zinc/46/67/69/590466769.db2.gz NHTCYXCCSUDXEL-UHFFFAOYSA-N 1 2 220.272 0.806 20 0 BCADLO CC(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000877988949 590466770 /nfs/dbraw/zinc/46/67/70/590466770.db2.gz NHTCYXCCSUDXEL-UHFFFAOYSA-N 1 2 220.272 0.806 20 0 BCADLO CCC[N@H+](CC)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878002101 590470067 /nfs/dbraw/zinc/47/00/67/590470067.db2.gz NFOLTJDPSCZDOV-MRXNPFEDSA-N 1 2 249.380 0.819 20 0 BCADLO Cc1cc(NC(=O)COC2CC2)cc[nH+]1 ZINC000878008934 590471666 /nfs/dbraw/zinc/47/16/66/590471666.db2.gz OZZSWEBOPYOOKJ-UHFFFAOYSA-N 1 2 206.245 0.929 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC000878030997 590474828 /nfs/dbraw/zinc/47/48/28/590474828.db2.gz NGIOSTOREDUWCZ-VIFPVBQESA-N 1 2 247.302 0.270 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC000878030997 590474829 /nfs/dbraw/zinc/47/48/29/590474829.db2.gz NGIOSTOREDUWCZ-VIFPVBQESA-N 1 2 247.302 0.270 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)CC(C)(C)O ZINC000878047734 590481665 /nfs/dbraw/zinc/48/16/65/590481665.db2.gz STWIBTIYOLDUOT-VIFPVBQESA-N 1 2 233.308 0.003 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)CC(C)(C)O ZINC000878047734 590481666 /nfs/dbraw/zinc/48/16/66/590481666.db2.gz STWIBTIYOLDUOT-VIFPVBQESA-N 1 2 233.308 0.003 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H](O)CC(C)(C)O ZINC000878126019 590501414 /nfs/dbraw/zinc/50/14/14/590501414.db2.gz TXPNPJBVZYHWRJ-SNVBAGLBSA-N 1 2 228.292 0.628 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H](O)CC(C)(C)O ZINC000878126019 590501415 /nfs/dbraw/zinc/50/14/15/590501415.db2.gz TXPNPJBVZYHWRJ-SNVBAGLBSA-N 1 2 228.292 0.628 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878150910 590507049 /nfs/dbraw/zinc/50/70/49/590507049.db2.gz QNPUHZZYJZGZRX-SECBINFHSA-N 1 2 247.302 0.412 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878150910 590507051 /nfs/dbraw/zinc/50/70/51/590507051.db2.gz QNPUHZZYJZGZRX-SECBINFHSA-N 1 2 247.302 0.412 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878149968 590507077 /nfs/dbraw/zinc/50/70/77/590507077.db2.gz BWFBOCQXKUNBOM-QMMMGPOBSA-N 1 2 233.275 0.402 20 0 BCADLO C[C@H]1CCC[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878149968 590507078 /nfs/dbraw/zinc/50/70/78/590507078.db2.gz BWFBOCQXKUNBOM-QMMMGPOBSA-N 1 2 233.275 0.402 20 0 BCADLO CCN(C#N)CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000878177155 590516397 /nfs/dbraw/zinc/51/63/97/590516397.db2.gz TWAYXLCJUFMHIC-UHFFFAOYSA-N 1 2 248.334 0.787 20 0 BCADLO c1coc([C@H]2C[N@H+](CCn3cnnn3)CCO2)c1 ZINC000878180401 590516896 /nfs/dbraw/zinc/51/68/96/590516896.db2.gz BDWCBUBBLVVJDI-LLVKDONJSA-N 1 2 249.274 0.340 20 0 BCADLO c1coc([C@H]2C[N@@H+](CCn3cnnn3)CCO2)c1 ZINC000878180401 590516898 /nfs/dbraw/zinc/51/68/98/590516898.db2.gz BDWCBUBBLVVJDI-LLVKDONJSA-N 1 2 249.274 0.340 20 0 BCADLO O[C@@H](Cn1cc[nH+]c1)CC1(O)CCCC1 ZINC000878208521 590524127 /nfs/dbraw/zinc/52/41/27/590524127.db2.gz VWQBTYVHNFERBY-SNVBAGLBSA-N 1 2 210.277 0.939 20 0 BCADLO O=C(COC1CC1)NCCn1cc[nH+]c1 ZINC000878224357 590526535 /nfs/dbraw/zinc/52/65/35/590526535.db2.gz ZMEZQJRAWHXDMT-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878333389 590548570 /nfs/dbraw/zinc/54/85/70/590548570.db2.gz SLAJNOSEJAVPBC-CMPLNLGQSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccn2CC(F)F)C[C@H]1O ZINC000878335728 590549088 /nfs/dbraw/zinc/54/90/88/590549088.db2.gz QHHVZLNGTOULOR-RKDXNWHRSA-N 1 2 245.273 0.961 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccn2CC(F)F)C[C@H]1O ZINC000878335728 590549091 /nfs/dbraw/zinc/54/90/91/590549091.db2.gz QHHVZLNGTOULOR-RKDXNWHRSA-N 1 2 245.273 0.961 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@H+]2CCn2cnnn2)n1 ZINC000878337320 590549126 /nfs/dbraw/zinc/54/91/26/590549126.db2.gz JPNRSCMVHXCJPC-SECBINFHSA-N 1 2 233.279 0.233 20 0 BCADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCn2cnnn2)n1 ZINC000878337320 590549128 /nfs/dbraw/zinc/54/91/28/590549128.db2.gz JPNRSCMVHXCJPC-SECBINFHSA-N 1 2 233.279 0.233 20 0 BCADLO Cc1conc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429562 590566191 /nfs/dbraw/zinc/56/61/91/590566191.db2.gz JPZWUKVVRJZTFK-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1conc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000878429562 590566193 /nfs/dbraw/zinc/56/61/93/590566193.db2.gz JPZWUKVVRJZTFK-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC000878476263 590573327 /nfs/dbraw/zinc/57/33/27/590573327.db2.gz YEAVGRJGBVFFBL-GHMZBOCLSA-N 1 2 229.320 0.935 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccn1 ZINC000878481715 590576342 /nfs/dbraw/zinc/57/63/42/590576342.db2.gz GJYIFCAMMXEZFT-GXFFZTMASA-N 1 2 247.298 0.334 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccn1 ZINC000878481715 590576344 /nfs/dbraw/zinc/57/63/44/590576344.db2.gz GJYIFCAMMXEZFT-GXFFZTMASA-N 1 2 247.298 0.334 20 0 BCADLO Cc1conc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000878554546 590591561 /nfs/dbraw/zinc/59/15/61/590591561.db2.gz DTZHVIAJIQBMOD-XVKPBYJWSA-N 1 2 223.276 0.597 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC1CC1 ZINC000878699438 590611872 /nfs/dbraw/zinc/61/18/72/590611872.db2.gz DIOHNSBMFCKXQJ-LLVKDONJSA-N 1 2 215.293 0.690 20 0 BCADLO Cl/C=C/C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878822544 590627571 /nfs/dbraw/zinc/62/75/71/590627571.db2.gz ABBIRLKNAYAPKA-OWOJBTEDSA-N 1 2 227.699 0.679 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000878876849 590637413 /nfs/dbraw/zinc/63/74/13/590637413.db2.gz VXJOYKKFIAJZTA-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000878876849 590637414 /nfs/dbraw/zinc/63/74/14/590637414.db2.gz VXJOYKKFIAJZTA-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO C[N@H+](CC[S@](C)=O)Cc1ccns1 ZINC000878898938 590643726 /nfs/dbraw/zinc/64/37/26/590643726.db2.gz BXTBNPNXNZPTLJ-ZDUSSCGKSA-N 1 2 218.347 0.953 20 0 BCADLO C[N@@H+](CC[S@](C)=O)Cc1ccns1 ZINC000878898938 590643727 /nfs/dbraw/zinc/64/37/27/590643727.db2.gz BXTBNPNXNZPTLJ-ZDUSSCGKSA-N 1 2 218.347 0.953 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917178 590650319 /nfs/dbraw/zinc/65/03/19/590650319.db2.gz CPRKUYWFTDYHCQ-SECBINFHSA-N 1 2 212.249 0.102 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917178 590650324 /nfs/dbraw/zinc/65/03/24/590650324.db2.gz CPRKUYWFTDYHCQ-SECBINFHSA-N 1 2 212.249 0.102 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970293 590664325 /nfs/dbraw/zinc/66/43/25/590664325.db2.gz MVTSWKJQAVKOGY-ZJUUUORDSA-N 1 2 241.287 0.387 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970293 590664330 /nfs/dbraw/zinc/66/43/30/590664330.db2.gz MVTSWKJQAVKOGY-ZJUUUORDSA-N 1 2 241.287 0.387 20 0 BCADLO Cl/C=C\C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878986701 590668428 /nfs/dbraw/zinc/66/84/28/590668428.db2.gz WQAFTGWMLUZMQV-JWXWKVPASA-N 1 2 242.710 0.731 20 0 BCADLO Cl/C=C\C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878986701 590668432 /nfs/dbraw/zinc/66/84/32/590668432.db2.gz WQAFTGWMLUZMQV-JWXWKVPASA-N 1 2 242.710 0.731 20 0 BCADLO Cc1cc(NC(=O)N2CC=C[C@H]2CO)cc[nH+]1 ZINC000879070743 590692412 /nfs/dbraw/zinc/69/24/12/590692412.db2.gz NUNRXWORLZSFBD-NSHDSACASA-N 1 2 233.271 0.577 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000879225375 590717925 /nfs/dbraw/zinc/71/79/25/590717925.db2.gz ZOAPNGUBMVHUSF-MRVPVSSYSA-N 1 2 235.287 0.562 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000879225375 590717927 /nfs/dbraw/zinc/71/79/27/590717927.db2.gz ZOAPNGUBMVHUSF-MRVPVSSYSA-N 1 2 235.287 0.562 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ncnn2C)C1 ZINC000879323519 590743964 /nfs/dbraw/zinc/74/39/64/590743964.db2.gz QLQRNRUPLCSJPB-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ncnn2C)C1 ZINC000879323519 590743965 /nfs/dbraw/zinc/74/39/65/590743965.db2.gz QLQRNRUPLCSJPB-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566145 590805680 /nfs/dbraw/zinc/80/56/80/590805680.db2.gz SHLYUPDGEMNFQD-DTWKUNHWSA-N 1 2 224.333 0.990 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566145 590805682 /nfs/dbraw/zinc/80/56/82/590805682.db2.gz SHLYUPDGEMNFQD-DTWKUNHWSA-N 1 2 224.333 0.990 20 0 BCADLO C[N@@H+]1CC[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]21 ZINC000879581995 590821605 /nfs/dbraw/zinc/82/16/05/590821605.db2.gz PECXDFKJPWVXQS-RKDXNWHRSA-N 1 2 237.307 0.036 20 0 BCADLO C[N@H+]1CC[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]21 ZINC000879581995 590821607 /nfs/dbraw/zinc/82/16/07/590821607.db2.gz PECXDFKJPWVXQS-RKDXNWHRSA-N 1 2 237.307 0.036 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000879608428 590828705 /nfs/dbraw/zinc/82/87/05/590828705.db2.gz CBTVYFGJEGOBMU-RQJHMYQMSA-N 1 2 248.735 0.724 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000879608428 590828706 /nfs/dbraw/zinc/82/87/06/590828706.db2.gz CBTVYFGJEGOBMU-RQJHMYQMSA-N 1 2 248.735 0.724 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879611655 590830302 /nfs/dbraw/zinc/83/03/02/590830302.db2.gz KNXRSVWAYCCEQP-NEPJUHHUSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879611655 590830306 /nfs/dbraw/zinc/83/03/06/590830306.db2.gz KNXRSVWAYCCEQP-NEPJUHHUSA-N 1 2 239.319 0.392 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611342 590830677 /nfs/dbraw/zinc/83/06/77/590830677.db2.gz GUTUPLKWHFEOSL-MXWKQRLJSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611342 590830678 /nfs/dbraw/zinc/83/06/78/590830678.db2.gz GUTUPLKWHFEOSL-MXWKQRLJSA-N 1 2 245.319 0.146 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622975 590836387 /nfs/dbraw/zinc/83/63/87/590836387.db2.gz SYIXEUOXXSQSIS-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622975 590836391 /nfs/dbraw/zinc/83/63/91/590836391.db2.gz SYIXEUOXXSQSIS-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO CC1(C)C[C@H](O)C[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879623685 590836695 /nfs/dbraw/zinc/83/66/95/590836695.db2.gz XPOJKALPRXFELX-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO CC1(C)C[C@H](O)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879623685 590836696 /nfs/dbraw/zinc/83/66/96/590836696.db2.gz XPOJKALPRXFELX-ZETCQYMHSA-N 1 2 226.280 0.103 20 0 BCADLO Cn1cnnc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622986 590836709 /nfs/dbraw/zinc/83/67/09/590836709.db2.gz UCUIKSDLHRXHEC-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cnnc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622986 590836711 /nfs/dbraw/zinc/83/67/11/590836711.db2.gz UCUIKSDLHRXHEC-SECBINFHSA-N 1 2 224.308 0.408 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624350 590838612 /nfs/dbraw/zinc/83/86/12/590838612.db2.gz RKPMFILIIBTELL-SECBINFHSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624350 590838615 /nfs/dbraw/zinc/83/86/15/590838615.db2.gz RKPMFILIIBTELL-SECBINFHSA-N 1 2 224.308 0.706 20 0 BCADLO FC(F)[C@@H]1C[N@H+](C[C@@H]2COCCO2)CCO1 ZINC000879948137 590895602 /nfs/dbraw/zinc/89/56/02/590895602.db2.gz VGFQHWGRTATHMT-BDAKNGLRSA-N 1 2 237.246 0.368 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](C[C@@H]2COCCO2)CCO1 ZINC000879948137 590895604 /nfs/dbraw/zinc/89/56/04/590895604.db2.gz VGFQHWGRTATHMT-BDAKNGLRSA-N 1 2 237.246 0.368 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879963773 590899620 /nfs/dbraw/zinc/89/96/20/590899620.db2.gz OQZXHOFJRIWIBY-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879963773 590899624 /nfs/dbraw/zinc/89/96/24/590899624.db2.gz OQZXHOFJRIWIBY-MRVPVSSYSA-N 1 2 240.307 0.493 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCO ZINC000879980830 590902558 /nfs/dbraw/zinc/90/25/58/590902558.db2.gz MMZANUMOBUQRML-VIFPVBQESA-N 1 2 201.266 0.300 20 0 BCADLO C[C@]12C[N@H+](CCF)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880014923 590910314 /nfs/dbraw/zinc/91/03/14/590910314.db2.gz UGTKCFCSQWXYTF-AOOOYVTPSA-N 1 2 235.324 0.713 20 0 BCADLO C[C@]12C[N@@H+](CCF)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880014923 590910317 /nfs/dbraw/zinc/91/03/17/590910317.db2.gz UGTKCFCSQWXYTF-AOOOYVTPSA-N 1 2 235.324 0.713 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)COC1CC1 ZINC000880103114 590926401 /nfs/dbraw/zinc/92/64/01/590926401.db2.gz PZWTVOHZWRTPID-UHFFFAOYSA-N 1 2 236.271 0.885 20 0 BCADLO CCOC(=O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880168884 590948581 /nfs/dbraw/zinc/94/85/81/590948581.db2.gz XENVFLPIHSTHTM-UHFFFAOYSA-N 1 2 240.303 0.294 20 0 BCADLO CCOC(=O)C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880168884 590948584 /nfs/dbraw/zinc/94/85/84/590948584.db2.gz XENVFLPIHSTHTM-UHFFFAOYSA-N 1 2 240.303 0.294 20 0 BCADLO COCC1([N@H+](C)Cc2cnn(C)n2)CCC1 ZINC000880185003 590952928 /nfs/dbraw/zinc/95/29/28/590952928.db2.gz BGBBRGUYZZPXRD-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO COCC1([N@@H+](C)Cc2cnn(C)n2)CCC1 ZINC000880185003 590952930 /nfs/dbraw/zinc/95/29/30/590952930.db2.gz BGBBRGUYZZPXRD-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO COCC1([N@H+](C)Cc2nnnn2C)CCC1 ZINC000880186679 590954236 /nfs/dbraw/zinc/95/42/36/590954236.db2.gz LHHJQIYCLSKNNL-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO COCC1([N@@H+](C)Cc2nnnn2C)CCC1 ZINC000880186679 590954238 /nfs/dbraw/zinc/95/42/38/590954238.db2.gz LHHJQIYCLSKNNL-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880234226 590965409 /nfs/dbraw/zinc/96/54/09/590965409.db2.gz CWDNKCRQGRTFHX-SECBINFHSA-N 1 2 212.272 0.997 20 0 BCADLO Cn1cnnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880234226 590965413 /nfs/dbraw/zinc/96/54/13/590965413.db2.gz CWDNKCRQGRTFHX-SECBINFHSA-N 1 2 212.272 0.997 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000880305869 590998562 /nfs/dbraw/zinc/99/85/62/590998562.db2.gz ZTCDIXRLSOQOIX-POYBYMJQSA-N 1 2 240.225 0.513 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000880305869 590998564 /nfs/dbraw/zinc/99/85/64/590998564.db2.gz ZTCDIXRLSOQOIX-POYBYMJQSA-N 1 2 240.225 0.513 20 0 BCADLO C[S@](=O)CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880366333 591011548 /nfs/dbraw/zinc/01/15/48/591011548.db2.gz GVNLCZCPDXTDCY-INIZCTEOSA-N 1 2 239.344 0.824 20 0 BCADLO O=C1CC[N@H+]([C@H]2C=CCCC2)C2(COC2)CN1 ZINC000880399526 591021858 /nfs/dbraw/zinc/02/18/58/591021858.db2.gz RCPULMUKIFNGOJ-NSHDSACASA-N 1 2 236.315 0.686 20 0 BCADLO O=C1CC[N@@H+]([C@H]2C=CCCC2)C2(COC2)CN1 ZINC000880399526 591021863 /nfs/dbraw/zinc/02/18/63/591021863.db2.gz RCPULMUKIFNGOJ-NSHDSACASA-N 1 2 236.315 0.686 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1nc(C)no1 ZINC000880424020 591030474 /nfs/dbraw/zinc/03/04/74/591030474.db2.gz FILUEKFLKQOBKU-NXEZZACHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000880424020 591030478 /nfs/dbraw/zinc/03/04/78/591030478.db2.gz FILUEKFLKQOBKU-NXEZZACHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1nc(C)no1 ZINC000880424021 591031169 /nfs/dbraw/zinc/03/11/69/591031169.db2.gz FILUEKFLKQOBKU-UWVGGRQHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000880424021 591031172 /nfs/dbraw/zinc/03/11/72/591031172.db2.gz FILUEKFLKQOBKU-UWVGGRQHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ncnn1C ZINC000880427098 591032161 /nfs/dbraw/zinc/03/21/61/591032161.db2.gz BDTQJJIVTWUKRZ-ZJUUUORDSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ncnn1C ZINC000880427098 591032164 /nfs/dbraw/zinc/03/21/64/591032164.db2.gz BDTQJJIVTWUKRZ-ZJUUUORDSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000880437322 591039610 /nfs/dbraw/zinc/03/96/10/591039610.db2.gz JFUYGLQMPBRQOM-MNOVXSKESA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000880437322 591039613 /nfs/dbraw/zinc/03/96/13/591039613.db2.gz JFUYGLQMPBRQOM-MNOVXSKESA-N 1 2 240.307 0.051 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nnnn1C1CC1 ZINC000880442896 591044172 /nfs/dbraw/zinc/04/41/72/591044172.db2.gz WVCFOJINXAQZAL-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nnnn1C1CC1 ZINC000880442896 591044177 /nfs/dbraw/zinc/04/41/77/591044177.db2.gz WVCFOJINXAQZAL-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880483108 591050979 /nfs/dbraw/zinc/05/09/79/591050979.db2.gz AYONGZRPODBJBB-SECBINFHSA-N 1 2 213.277 0.561 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880483108 591050985 /nfs/dbraw/zinc/05/09/85/591050985.db2.gz AYONGZRPODBJBB-SECBINFHSA-N 1 2 213.277 0.561 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cn2cccnc2n1 ZINC000880483066 591056233 /nfs/dbraw/zinc/05/62/33/591056233.db2.gz AICAGKPKIWWGBX-LLVKDONJSA-N 1 2 230.271 0.462 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cn2cccnc2n1 ZINC000880483066 591056236 /nfs/dbraw/zinc/05/62/36/591056236.db2.gz AICAGKPKIWWGBX-LLVKDONJSA-N 1 2 230.271 0.462 20 0 BCADLO CCCc1noc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880483553 591057169 /nfs/dbraw/zinc/05/71/69/591057169.db2.gz HUCHTFPDSPDVLQ-SECBINFHSA-N 1 2 223.276 0.755 20 0 BCADLO CCCc1noc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880483553 591057178 /nfs/dbraw/zinc/05/71/78/591057178.db2.gz HUCHTFPDSPDVLQ-SECBINFHSA-N 1 2 223.276 0.755 20 0 BCADLO Cc1nnc(C[N@@H+]2CC=C[C@H]2CO)n1C1CC1 ZINC000880485332 591058011 /nfs/dbraw/zinc/05/80/11/591058011.db2.gz BZCYHGBKKXENOB-NSHDSACASA-N 1 2 234.303 0.654 20 0 BCADLO Cc1nnc(C[N@H+]2CC=C[C@H]2CO)n1C1CC1 ZINC000880485332 591058016 /nfs/dbraw/zinc/05/80/16/591058016.db2.gz BZCYHGBKKXENOB-NSHDSACASA-N 1 2 234.303 0.654 20 0 BCADLO Cc1cc(C[N@@H+]2CC=C[C@@H]2CO)nn1C ZINC000880487587 591062961 /nfs/dbraw/zinc/06/29/61/591062961.db2.gz MTMZTBJNWGWVED-LLVKDONJSA-N 1 2 207.277 0.461 20 0 BCADLO Cc1cc(C[N@H+]2CC=C[C@@H]2CO)nn1C ZINC000880487587 591062965 /nfs/dbraw/zinc/06/29/65/591062965.db2.gz MTMZTBJNWGWVED-LLVKDONJSA-N 1 2 207.277 0.461 20 0 BCADLO CS(=O)(=O)CC1(C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488523 591064681 /nfs/dbraw/zinc/06/46/81/591064681.db2.gz GZCOTUDHSMMRQW-SNVBAGLBSA-N 1 2 245.344 0.044 20 0 BCADLO CS(=O)(=O)CC1(C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488523 591064686 /nfs/dbraw/zinc/06/46/86/591064686.db2.gz GZCOTUDHSMMRQW-SNVBAGLBSA-N 1 2 245.344 0.044 20 0 BCADLO COc1ccc(C[N@@H+]2CC=C[C@@H]2CO)nn1 ZINC000880490505 591067019 /nfs/dbraw/zinc/06/70/19/591067019.db2.gz ARDDHWCMYHVYTE-SNVBAGLBSA-N 1 2 221.260 0.218 20 0 BCADLO COc1ccc(C[N@H+]2CC=C[C@@H]2CO)nn1 ZINC000880490505 591067023 /nfs/dbraw/zinc/06/70/23/591067023.db2.gz ARDDHWCMYHVYTE-SNVBAGLBSA-N 1 2 221.260 0.218 20 0 BCADLO COc1cc(C[N@@H+]2CC=C[C@@H]2CO)on1 ZINC000880490852 591069387 /nfs/dbraw/zinc/06/93/87/591069387.db2.gz FBRREEOMQOHPHB-MRVPVSSYSA-N 1 2 210.233 0.416 20 0 BCADLO COc1cc(C[N@H+]2CC=C[C@@H]2CO)on1 ZINC000880490852 591069392 /nfs/dbraw/zinc/06/93/92/591069392.db2.gz FBRREEOMQOHPHB-MRVPVSSYSA-N 1 2 210.233 0.416 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC=C[C@H]1CO ZINC000880492890 591071234 /nfs/dbraw/zinc/07/12/34/591071234.db2.gz XKDGGOWYZPPAJM-JTQLQIEISA-N 1 2 222.292 0.592 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC=C[C@H]1CO ZINC000880492890 591071239 /nfs/dbraw/zinc/07/12/39/591071239.db2.gz XKDGGOWYZPPAJM-JTQLQIEISA-N 1 2 222.292 0.592 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880493313 591071615 /nfs/dbraw/zinc/07/16/15/591071615.db2.gz AOYHREBKFDADSX-SNVBAGLBSA-N 1 2 226.320 0.381 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880493313 591071618 /nfs/dbraw/zinc/07/16/18/591071618.db2.gz AOYHREBKFDADSX-SNVBAGLBSA-N 1 2 226.320 0.381 20 0 BCADLO CC(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880591802 591102966 /nfs/dbraw/zinc/10/29/66/591102966.db2.gz MXZURCGZLLSVNP-VIFPVBQESA-N 1 2 200.282 0.407 20 0 BCADLO CC(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880591802 591102969 /nfs/dbraw/zinc/10/29/69/591102969.db2.gz MXZURCGZLLSVNP-VIFPVBQESA-N 1 2 200.282 0.407 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCc2ncncc2C1 ZINC000880595293 591104338 /nfs/dbraw/zinc/10/43/38/591104338.db2.gz NIAHGIGVOOGGGM-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1ccnc1C[N@H+]1CCc2ncncc2C1 ZINC000880595293 591104342 /nfs/dbraw/zinc/10/43/42/591104342.db2.gz NIAHGIGVOOGGGM-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880593757 591105010 /nfs/dbraw/zinc/10/50/10/591105010.db2.gz CWCHWEKBFNFRAO-JTQLQIEISA-N 1 2 248.330 0.749 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880593757 591105012 /nfs/dbraw/zinc/10/50/12/591105012.db2.gz CWCHWEKBFNFRAO-JTQLQIEISA-N 1 2 248.330 0.749 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000880727339 591129203 /nfs/dbraw/zinc/12/92/03/591129203.db2.gz KNYAYSUAEPJAEK-ZETCQYMHSA-N 1 2 237.328 0.746 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000880727339 591129204 /nfs/dbraw/zinc/12/92/04/591129204.db2.gz KNYAYSUAEPJAEK-ZETCQYMHSA-N 1 2 237.328 0.746 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1CSC1 ZINC000880731580 591131546 /nfs/dbraw/zinc/13/15/46/591131546.db2.gz NREKPTCGFBZZCW-UHFFFAOYSA-N 1 2 211.290 0.194 20 0 BCADLO CCONC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880818124 591143397 /nfs/dbraw/zinc/14/33/97/591143397.db2.gz MRNLMHKGGFNGNV-UHFFFAOYSA-N 1 2 239.279 0.402 20 0 BCADLO CCONC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880818124 591143400 /nfs/dbraw/zinc/14/34/00/591143400.db2.gz MRNLMHKGGFNGNV-UHFFFAOYSA-N 1 2 239.279 0.402 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880815721 591143565 /nfs/dbraw/zinc/14/35/65/591143565.db2.gz UTTQCUZQJXAYFN-PSASIEDQSA-N 1 2 249.318 0.858 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880815721 591143569 /nfs/dbraw/zinc/14/35/69/591143569.db2.gz UTTQCUZQJXAYFN-PSASIEDQSA-N 1 2 249.318 0.858 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c[nH+]1 ZINC000888848886 591152960 /nfs/dbraw/zinc/15/29/60/591152960.db2.gz IYRMSWNYBDQGMF-RMAYHROUSA-N 1 2 233.271 0.624 20 0 BCADLO COc1cc[nH+]c(Cn2cc([C@@H](C)O)nn2)c1 ZINC000881286680 591181398 /nfs/dbraw/zinc/18/13/98/591181398.db2.gz BXJCMCKFSNZDLD-MRVPVSSYSA-N 1 2 234.259 0.783 20 0 BCADLO OC1(c2cn(CCCn3cc[nH+]c3)nn2)CCC1 ZINC000881299935 591183129 /nfs/dbraw/zinc/18/31/29/591183129.db2.gz AYWFDPDLAIPSKS-UHFFFAOYSA-N 1 2 247.302 0.936 20 0 BCADLO COC(=O)Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000881301341 591184143 /nfs/dbraw/zinc/18/41/43/591184143.db2.gz VHGCEFCRTWCRAG-UHFFFAOYSA-N 1 2 249.274 0.280 20 0 BCADLO C=C/C=C\CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000881569028 591243403 /nfs/dbraw/zinc/24/34/03/591243403.db2.gz ZYCCYXZRABHDKC-FJOGCWAESA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C=C\CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000881569028 591243405 /nfs/dbraw/zinc/24/34/05/591243405.db2.gz ZYCCYXZRABHDKC-FJOGCWAESA-N 1 2 238.331 0.956 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881672045 591263088 /nfs/dbraw/zinc/26/30/88/591263088.db2.gz RYIDFJDMKRCGJP-QWRGUYRKSA-N 1 2 244.310 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881672045 591263089 /nfs/dbraw/zinc/26/30/89/591263089.db2.gz RYIDFJDMKRCGJP-QWRGUYRKSA-N 1 2 244.310 0.525 20 0 BCADLO O=Cc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000881735103 591268095 /nfs/dbraw/zinc/26/80/95/591268095.db2.gz APZBONQCPAQNRY-UHFFFAOYSA-N 1 2 231.259 0.988 20 0 BCADLO Cc1[nH+]cnc(NCc2nncn2C)c1C ZINC000881793095 591271554 /nfs/dbraw/zinc/27/15/54/591271554.db2.gz ZOPAHENUGBOXSX-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO CCN(CC(=O)NC)c1cc(CO)cc[nH+]1 ZINC000882047875 591291871 /nfs/dbraw/zinc/29/18/71/591291871.db2.gz XUZYJUKAXPUFQB-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO O=C1OC[C@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000882099714 591298112 /nfs/dbraw/zinc/29/81/12/591298112.db2.gz PIBNRZNKLANPQO-SNVBAGLBSA-N 1 2 249.270 0.215 20 0 BCADLO COC[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000882102123 591298434 /nfs/dbraw/zinc/29/84/34/591298434.db2.gz IKOLKAPOJDRLJF-PHIMTYICSA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)N1CC(Nc2nc[nH+]c(C)c2C)C1 ZINC000882115529 591299607 /nfs/dbraw/zinc/29/96/07/591299607.db2.gz ZCIIZKYFZRYNBQ-UHFFFAOYSA-N 1 2 236.275 0.956 20 0 BCADLO Cc1nn(CCOCc2[nH]cc[nH+]2)c(=O)o1 ZINC000882149608 591306113 /nfs/dbraw/zinc/30/61/13/591306113.db2.gz GPIVYBOCSRGMGJ-UHFFFAOYSA-N 1 2 224.220 0.085 20 0 BCADLO O=C1COC(=O)N1Cc1[nH+]ccn1CC(F)F ZINC000882276535 591325158 /nfs/dbraw/zinc/32/51/58/591325158.db2.gz KAAUIZDPLGPGFQ-UHFFFAOYSA-N 1 2 245.185 0.627 20 0 BCADLO Cc1[nH+]cnc(N2CC(S(C)(=O)=O)C2)c1C ZINC000882312529 591328421 /nfs/dbraw/zinc/32/84/21/591328421.db2.gz RVQPGVCUDXLFFJ-UHFFFAOYSA-N 1 2 241.316 0.327 20 0 BCADLO COC[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000882323716 591331697 /nfs/dbraw/zinc/33/16/97/591331697.db2.gz JXAAOEUZSIWXJQ-SECBINFHSA-N 1 2 211.265 0.513 20 0 BCADLO Cc1[nH+]cnc(N(C)CCC(N)=O)c1C ZINC000882356438 591338011 /nfs/dbraw/zinc/33/80/11/591338011.db2.gz HFRMMPWSWYTUBB-UHFFFAOYSA-N 1 2 208.265 0.405 20 0 BCADLO Cn1ncc(CCCNc2cc[nH+]cc2F)n1 ZINC000882401574 591343164 /nfs/dbraw/zinc/34/31/64/591343164.db2.gz ZCEMRGRPEXSWHF-UHFFFAOYSA-N 1 2 235.266 0.816 20 0 BCADLO NC(=O)c1cc(N[C@H]2CCn3cc[nH+]c32)ncn1 ZINC000882407396 591344459 /nfs/dbraw/zinc/34/44/59/591344459.db2.gz PXGFDVUETPAXNU-ZETCQYMHSA-N 1 2 244.258 0.329 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@](O)(C(F)F)C2)c1 ZINC000882416453 591344927 /nfs/dbraw/zinc/34/49/27/591344927.db2.gz UDSLNLFSIMJDNZ-NSHDSACASA-N 1 2 244.241 0.780 20 0 BCADLO COC(=O)NCCNc1cc(CO)cc[nH+]1 ZINC000882431566 591347800 /nfs/dbraw/zinc/34/78/00/591347800.db2.gz XFCPYHLAKVOUOX-UHFFFAOYSA-N 1 2 225.248 0.342 20 0 BCADLO CCON(CC)C(=O)CNc1cc[nH+]cc1F ZINC000882650770 591407249 /nfs/dbraw/zinc/40/72/49/591407249.db2.gz DNAHOUNXZWVNLL-UHFFFAOYSA-N 1 2 241.266 0.855 20 0 BCADLO OCC1(CO)CCN(c2cc[nH+]cc2F)CC1 ZINC000882714719 591418210 /nfs/dbraw/zinc/41/82/10/591418210.db2.gz QHQJYLSBBOZDIS-UHFFFAOYSA-N 1 2 240.278 0.792 20 0 BCADLO CC(=O)N1C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000882855921 591455500 /nfs/dbraw/zinc/45/55/00/591455500.db2.gz XDEPGUQNQNGSFP-TXEJJXNPSA-N 1 2 231.299 0.996 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213273839 591459113 /nfs/dbraw/zinc/45/91/13/591459113.db2.gz BCQGAGWPKILESM-ONGXEEELSA-N 1 2 249.314 0.850 20 0 BCADLO COc1cc(NC(=O)CCn2cc[nH+]c2)n(C)n1 ZINC000882936614 591477940 /nfs/dbraw/zinc/47/79/40/591477940.db2.gz ZCVSZUZZTMAJAP-UHFFFAOYSA-N 1 2 249.274 0.654 20 0 BCADLO OC[C@H]1C=CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000882977151 591490335 /nfs/dbraw/zinc/49/03/35/591490335.db2.gz YMJMPVJPZCVCRN-SNVBAGLBSA-N 1 2 243.270 0.399 20 0 BCADLO COC(=O)[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000883002772 591504513 /nfs/dbraw/zinc/50/45/13/591504513.db2.gz OMNRUZIMZKCHBB-NSHDSACASA-N 1 2 222.244 0.196 20 0 BCADLO NC(CO)=[NH+]OCC(=O)NCC1CCCCC1 ZINC000883009689 591509264 /nfs/dbraw/zinc/50/92/64/591509264.db2.gz PXNKUBQFNBNVCB-UHFFFAOYSA-N 1 2 243.307 0.174 20 0 BCADLO Cc1nc(CO[NH+]=C(N)CO)cs1 ZINC000883010099 591510412 /nfs/dbraw/zinc/51/04/12/591510412.db2.gz DXCRVUXTFWVADT-UHFFFAOYSA-N 1 2 201.251 0.442 20 0 BCADLO C[C@H](O[NH+]=C(N)CO)C(=O)N1CCC(C)CC1 ZINC000883010104 591510441 /nfs/dbraw/zinc/51/04/41/591510441.db2.gz FFBCCUHZVLXFAZ-VIFPVBQESA-N 1 2 243.307 0.124 20 0 BCADLO CC(C)CN(C(=O)CO[NH+]=C(N)CO)C1CC1 ZINC000883011051 591510503 /nfs/dbraw/zinc/51/05/03/591510503.db2.gz IWCLFBGZAIQSCG-UHFFFAOYSA-N 1 2 243.307 0.124 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011512 591511200 /nfs/dbraw/zinc/51/12/00/591511200.db2.gz YBOHFWIMABERTG-SSDOTTSWSA-N 1 2 231.296 0.170 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011046 591511427 /nfs/dbraw/zinc/51/14/27/591511427.db2.gz IPZQHDYWPCCATG-SFYZADRCSA-N 1 2 231.296 0.170 20 0 BCADLO NC(CO)=[NH+]OCCN1CCc2ccccc21 ZINC000883012489 591512453 /nfs/dbraw/zinc/51/24/53/591512453.db2.gz IHRYBRGMPKUXLA-UHFFFAOYSA-N 1 2 235.287 0.540 20 0 BCADLO CO[C@H](CO[NH+]=C(N)CO)Cc1ccccc1 ZINC000883012545 591512631 /nfs/dbraw/zinc/51/26/31/591512631.db2.gz JYWBJBFMGIZVJN-NSHDSACASA-N 1 2 238.287 0.735 20 0 BCADLO COc1ccc(CCO[NH+]=C(N)CO)cc1 ZINC000883012263 591512667 /nfs/dbraw/zinc/51/26/67/591512667.db2.gz ZQRZCNQCKVOZEX-UHFFFAOYSA-N 1 2 224.260 0.728 20 0 BCADLO CCCN(CCC)C(=O)CO[NH+]=C(N)CO ZINC000883012220 591512861 /nfs/dbraw/zinc/51/28/61/591512861.db2.gz XXLVGNDXNJMNIR-UHFFFAOYSA-N 1 2 231.296 0.126 20 0 BCADLO NC(CO)=[NH+]OC[C@H]1CCC(F)(F)C1 ZINC000883012339 591512867 /nfs/dbraw/zinc/51/28/67/591512867.db2.gz CASBLYGDDHJJFD-LURJTMIESA-N 1 2 208.208 0.913 20 0 BCADLO CC1(CCCCO[NH+]=C(N)CO)OCCO1 ZINC000883012629 591513230 /nfs/dbraw/zinc/51/32/30/591513230.db2.gz MSYXMETVHHBKKA-UHFFFAOYSA-N 1 2 232.280 0.410 20 0 BCADLO CC(C)(C)OC1CC(O[NH+]=C(N)CO)C1 ZINC000883012722 591513266 /nfs/dbraw/zinc/51/32/66/591513266.db2.gz QFPVBOIGHHQZAH-UHFFFAOYSA-N 1 2 216.281 0.823 20 0 BCADLO Cc1csc(CO[NH+]=C(N)CO)n1 ZINC000883011998 591513355 /nfs/dbraw/zinc/51/33/55/591513355.db2.gz PNTYAEIXJUOQFL-UHFFFAOYSA-N 1 2 201.251 0.442 20 0 BCADLO COC(=O)c1cc(CO[NH+]=C(N)CO)cs1 ZINC000883012677 591513379 /nfs/dbraw/zinc/51/33/79/591513379.db2.gz OBBOMNAQKBSROR-UHFFFAOYSA-N 1 2 244.272 0.525 20 0 BCADLO Cc1nsc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000883105496 591541121 /nfs/dbraw/zinc/54/11/21/591541121.db2.gz LTFYDZSMVOOSJA-UHFFFAOYSA-N 1 2 237.288 0.842 20 0 BCADLO CCCC[N@H+](CC)Cn1nc2cnccn2c1=O ZINC000131044283 591546126 /nfs/dbraw/zinc/54/61/26/591546126.db2.gz OYXOKPIZALHWTQ-UHFFFAOYSA-N 1 2 249.318 0.971 20 0 BCADLO CCCC[N@@H+](CC)Cn1nc2cnccn2c1=O ZINC000131044283 591546130 /nfs/dbraw/zinc/54/61/30/591546130.db2.gz OYXOKPIZALHWTQ-UHFFFAOYSA-N 1 2 249.318 0.971 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cccc(F)n1 ZINC000131265111 591580078 /nfs/dbraw/zinc/58/00/78/591580078.db2.gz AXCRMSSSRNBRGF-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cn1cc[nH+]c1CNc1nc(N)nc2nc[nH]c21 ZINC000131905253 591677190 /nfs/dbraw/zinc/67/71/90/591677190.db2.gz LXBAMYDQZGPBSF-UHFFFAOYSA-N 1 2 244.262 0.281 20 0 BCADLO CCCCOC(=O)C[N@H+](C)[C@@H](C)CO ZINC000131996382 591681811 /nfs/dbraw/zinc/68/18/11/591681811.db2.gz KUGSYMVFONCIKA-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000131996382 591681814 /nfs/dbraw/zinc/68/18/14/591681814.db2.gz KUGSYMVFONCIKA-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO CC[N@H+](CC1CC1)Cn1ncn(C)c1=O ZINC000132666851 591728740 /nfs/dbraw/zinc/72/87/40/591728740.db2.gz SQXTVCZZSGJWAP-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1ncn(C)c1=O ZINC000132666851 591728743 /nfs/dbraw/zinc/72/87/43/591728743.db2.gz SQXTVCZZSGJWAP-UHFFFAOYSA-N 1 2 210.281 0.271 20 0 BCADLO CCCNc1cc(NCCOCCO)nc[nH+]1 ZINC000132756990 591735387 /nfs/dbraw/zinc/73/53/87/591735387.db2.gz DLDDHEBUOGYHNY-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO CCCNc1cc(NCCOCCO)[nH+]cn1 ZINC000132756990 591735388 /nfs/dbraw/zinc/73/53/88/591735388.db2.gz DLDDHEBUOGYHNY-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO COc1nn(C)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000883960793 591783364 /nfs/dbraw/zinc/78/33/64/591783364.db2.gz HYLHWUBREQEHOW-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO CC(C)C[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133350032 591787635 /nfs/dbraw/zinc/78/76/35/591787635.db2.gz MLVTWSKYSHXNNZ-LLVKDONJSA-N 1 2 238.335 0.907 20 0 BCADLO CC(C)C[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133350032 591787640 /nfs/dbraw/zinc/78/76/40/591787640.db2.gz MLVTWSKYSHXNNZ-LLVKDONJSA-N 1 2 238.335 0.907 20 0 BCADLO CCn1cc(C[N@@H+]2CCCOCC2)nn1 ZINC000883998656 591790248 /nfs/dbraw/zinc/79/02/48/591790248.db2.gz LEKPWHRGZFYYGP-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CCn1cc(C[N@H+]2CCCOCC2)nn1 ZINC000883998656 591790249 /nfs/dbraw/zinc/79/02/49/591790249.db2.gz LEKPWHRGZFYYGP-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc(NC)[nH+]cn1 ZINC000133469614 591798772 /nfs/dbraw/zinc/79/87/72/591798772.db2.gz SDHCXCJYCFUCFC-QMMMGPOBSA-N 1 2 235.291 0.233 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cc(NC)nc[nH+]1 ZINC000133469614 591798776 /nfs/dbraw/zinc/79/87/76/591798776.db2.gz SDHCXCJYCFUCFC-QMMMGPOBSA-N 1 2 235.291 0.233 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CCCO2)CCO1 ZINC000800108893 591823868 /nfs/dbraw/zinc/82/38/68/591823868.db2.gz HNGUIVMIQCFACU-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CCCO2)CCO1 ZINC000800108893 591823873 /nfs/dbraw/zinc/82/38/73/591823873.db2.gz HNGUIVMIQCFACU-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C(C)(C)CO)CCO1 ZINC000800159690 591829832 /nfs/dbraw/zinc/82/98/32/591829832.db2.gz WRESCYPJLIWOHY-JTQLQIEISA-N 1 2 245.319 0.269 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C(C)(C)CO)CCO1 ZINC000800159690 591829834 /nfs/dbraw/zinc/82/98/34/591829834.db2.gz WRESCYPJLIWOHY-JTQLQIEISA-N 1 2 245.319 0.269 20 0 BCADLO COC/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800219937 591842227 /nfs/dbraw/zinc/84/22/27/591842227.db2.gz TXYWPWOMZIJJAE-UFFNRZRYSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800219937 591842230 /nfs/dbraw/zinc/84/22/30/591842230.db2.gz TXYWPWOMZIJJAE-UFFNRZRYSA-N 1 2 243.303 0.453 20 0 BCADLO O=C(C[N@@H+]1CCCC2(C1)OCCO2)NC1CC1 ZINC000134088451 591886953 /nfs/dbraw/zinc/88/69/53/591886953.db2.gz NGJRXBAVKCBEFV-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO O=C(C[N@H+]1CCCC2(C1)OCCO2)NC1CC1 ZINC000134088451 591886956 /nfs/dbraw/zinc/88/69/56/591886956.db2.gz NGJRXBAVKCBEFV-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO CCc1nc(N[C@@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000884496583 591957156 /nfs/dbraw/zinc/95/71/56/591957156.db2.gz AGKSHLYQBYXENS-KWQFWETISA-N 1 2 234.303 0.976 20 0 BCADLO CCc1nc(N(C)CCC(N)=O)cc[nH+]1 ZINC000884507429 591960368 /nfs/dbraw/zinc/96/03/68/591960368.db2.gz CGILKTPOFQBTKP-UHFFFAOYSA-N 1 2 208.265 0.351 20 0 BCADLO CCc1nc(N(CCO)C[C@@H](C)O)cc[nH+]1 ZINC000884510919 591961106 /nfs/dbraw/zinc/96/11/06/591961106.db2.gz UAGUKCYFPDJSIA-SECBINFHSA-N 1 2 225.292 0.219 20 0 BCADLO CCc1nc(N2CC(=O)N[C@@H](C)C2)cc[nH+]1 ZINC000884522128 591965289 /nfs/dbraw/zinc/96/52/89/591965289.db2.gz QAIKJGPYOSCFCK-QMMMGPOBSA-N 1 2 220.276 0.364 20 0 BCADLO CCc1nc(NC[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000884529029 591967640 /nfs/dbraw/zinc/96/76/40/591967640.db2.gz DHCKTTPBSKANQY-MRVPVSSYSA-N 1 2 220.276 0.587 20 0 BCADLO CCc1nc(N[C@H](CO)c2ccnn2C)cc[nH+]1 ZINC000884528630 591967722 /nfs/dbraw/zinc/96/77/22/591967722.db2.gz VCEWMWZMWFQMFL-SECBINFHSA-N 1 2 247.302 0.918 20 0 BCADLO CCC[C@H](O)[C@@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884529637 591968199 /nfs/dbraw/zinc/96/81/99/591968199.db2.gz SJLMQLGRKZGWGV-ZJUUUORDSA-N 1 2 239.319 0.973 20 0 BCADLO CCc1nc(N2CC[C@H](O)[C@@H](CO)C2)cc[nH+]1 ZINC000884532566 591969674 /nfs/dbraw/zinc/96/96/74/591969674.db2.gz MDPNLCMULBLYDD-ZJUUUORDSA-N 1 2 237.303 0.219 20 0 BCADLO CCc1nc(N2CN(C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000884544212 591973199 /nfs/dbraw/zinc/97/31/99/591973199.db2.gz ZPWHDGCWVPFKGA-QMMMGPOBSA-N 1 2 220.276 0.663 20 0 BCADLO CCc1nc(N[C@@H]2COC[C@H]2OC)cc[nH+]1 ZINC000884542697 591973495 /nfs/dbraw/zinc/97/34/95/591973495.db2.gz KUMRIMKPTUQTCR-RKDXNWHRSA-N 1 2 223.276 0.865 20 0 BCADLO CCc1nc(NCC[C@@]2(O)CCOC2)cc[nH+]1 ZINC000884544846 591974339 /nfs/dbraw/zinc/97/43/39/591974339.db2.gz RDPGPOCVPGDKJX-GFCCVEGCSA-N 1 2 237.303 0.992 20 0 BCADLO CCc1nc(NCc2nc(COC)n[nH]2)cc[nH+]1 ZINC000884555469 591977641 /nfs/dbraw/zinc/97/76/41/591977641.db2.gz RVKOQKPIFXSBEH-UHFFFAOYSA-N 1 2 248.290 0.916 20 0 BCADLO CCc1nc(N2CCC(O)(CO)CC2)cc[nH+]1 ZINC000884555940 591978203 /nfs/dbraw/zinc/97/82/03/591978203.db2.gz DRBZEUPWIYQQKB-UHFFFAOYSA-N 1 2 237.303 0.363 20 0 BCADLO CCc1nc(N2CCC(=O)N(C)CC2)cc[nH+]1 ZINC000884557877 591978327 /nfs/dbraw/zinc/97/83/27/591978327.db2.gz CGQKXZAHWKGBAU-UHFFFAOYSA-N 1 2 234.303 0.708 20 0 BCADLO CCc1nc(N[C@@H](C)C(=O)N(C)OC)cc[nH+]1 ZINC000884568025 591983169 /nfs/dbraw/zinc/98/31/69/591983169.db2.gz ZIYWWLZGXURBEA-QMMMGPOBSA-N 1 2 238.291 0.859 20 0 BCADLO CCc1nc(NC2CC(CO)(CO)C2)cc[nH+]1 ZINC000884566908 591983309 /nfs/dbraw/zinc/98/33/09/591983309.db2.gz XEFFVPBDZJXGFP-UHFFFAOYSA-N 1 2 237.303 0.584 20 0 BCADLO CCc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000884623147 591995972 /nfs/dbraw/zinc/99/59/72/591995972.db2.gz QIEFQVOCCRXEFY-ILWJIGKKSA-N 1 2 223.276 0.335 20 0 BCADLO Cc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000884623296 591996658 /nfs/dbraw/zinc/99/66/58/591996658.db2.gz XTEKFOILXKVNBY-JGPRNRPPSA-N 1 2 249.314 0.959 20 0 BCADLO COCCOC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000884943091 592030212 /nfs/dbraw/zinc/03/02/12/592030212.db2.gz SGEZTXYFMWWSRZ-SECBINFHSA-N 1 2 227.264 0.644 20 0 BCADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccns2)C1 ZINC000884972656 592030971 /nfs/dbraw/zinc/03/09/71/592030971.db2.gz SCOFBGARMOSODD-ZETCQYMHSA-N 1 2 247.345 0.126 20 0 BCADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccns2)C1 ZINC000884972656 592030975 /nfs/dbraw/zinc/03/09/75/592030975.db2.gz SCOFBGARMOSODD-ZETCQYMHSA-N 1 2 247.345 0.126 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885080272 592048121 /nfs/dbraw/zinc/04/81/21/592048121.db2.gz NPHWEFAWXBHCMS-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO COCCOC(=O)NCc1c[nH+]cn1C ZINC000885192796 592057467 /nfs/dbraw/zinc/05/74/67/592057467.db2.gz KFANLFVGWAVCGW-UHFFFAOYSA-N 1 2 213.237 0.293 20 0 BCADLO CCO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000885325530 592066392 /nfs/dbraw/zinc/06/63/92/592066392.db2.gz RJAQUZJDDRZBAD-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO CCO[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000885335910 592068805 /nfs/dbraw/zinc/06/88/05/592068805.db2.gz YRWCKHLAFODJIA-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO COCCOC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000885338988 592069562 /nfs/dbraw/zinc/06/95/62/592069562.db2.gz QLGUJBGCPCUXKA-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO COCCOC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000885338988 592069565 /nfs/dbraw/zinc/06/95/65/592069565.db2.gz QLGUJBGCPCUXKA-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO CCOCCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000885749298 592097908 /nfs/dbraw/zinc/09/79/08/592097908.db2.gz VCTLTCSXCUZPCH-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO CCOCCOCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000885749298 592097909 /nfs/dbraw/zinc/09/79/09/592097909.db2.gz VCTLTCSXCUZPCH-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO CCOCCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000885752555 592098695 /nfs/dbraw/zinc/09/86/95/592098695.db2.gz QLHLOKMNDPCOCQ-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO CCCNc1cc(N[C@@H](C)CC(N)=O)nc[nH+]1 ZINC000136277106 592103992 /nfs/dbraw/zinc/10/39/92/592103992.db2.gz NPIVHPAVMUJGTM-QMMMGPOBSA-N 1 2 237.307 0.974 20 0 BCADLO CCCNc1cc(N[C@@H](C)CC(N)=O)[nH+]cn1 ZINC000136277106 592103993 /nfs/dbraw/zinc/10/39/93/592103993.db2.gz NPIVHPAVMUJGTM-QMMMGPOBSA-N 1 2 237.307 0.974 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CCN1 ZINC000885933260 592110555 /nfs/dbraw/zinc/11/05/55/592110555.db2.gz OXJVRIKPZUAJHB-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CCN1 ZINC000885933260 592110556 /nfs/dbraw/zinc/11/05/56/592110556.db2.gz OXJVRIKPZUAJHB-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO CC[N@H+](CC[NH2+][C@@H](C)CC(=O)[O-])C1CC1 ZINC000218418287 592154673 /nfs/dbraw/zinc/15/46/73/592154673.db2.gz OOUJUYJHLWUQJT-VIFPVBQESA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)[O-])C1CC1 ZINC000218418287 592154674 /nfs/dbraw/zinc/15/46/74/592154674.db2.gz OOUJUYJHLWUQJT-VIFPVBQESA-N 1 2 214.309 0.924 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229113 592181124 /nfs/dbraw/zinc/18/11/24/592181124.db2.gz LGANOWLLAZDPOJ-NEPJUHHUSA-N 1 2 239.319 0.738 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886249155 592182507 /nfs/dbraw/zinc/18/25/07/592182507.db2.gz DNRVCVNLXRREDE-XKSSXDPKSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCO1 ZINC000886249155 592182508 /nfs/dbraw/zinc/18/25/08/592182508.db2.gz DNRVCVNLXRREDE-XKSSXDPKSA-N 1 2 239.262 0.084 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1C[C@@]12CCOC2 ZINC000886251611 592187308 /nfs/dbraw/zinc/18/73/08/592187308.db2.gz GWMMYLDQFRBUOR-LDYMZIIASA-N 1 2 239.275 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1C[C@@]12CCOC2 ZINC000886251611 592187310 /nfs/dbraw/zinc/18/73/10/592187310.db2.gz GWMMYLDQFRBUOR-LDYMZIIASA-N 1 2 239.275 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@](C)(O)C(F)F ZINC000886252314 592187775 /nfs/dbraw/zinc/18/77/75/592187775.db2.gz ZSYUDJDZQSCDMH-MRVPVSSYSA-N 1 2 237.206 0.223 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@](C)(O)C(F)F ZINC000886252314 592187776 /nfs/dbraw/zinc/18/77/76/592187776.db2.gz ZSYUDJDZQSCDMH-MRVPVSSYSA-N 1 2 237.206 0.223 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@](C)(O)C(F)F ZINC000886273792 592193179 /nfs/dbraw/zinc/19/31/79/592193179.db2.gz GRIYOAOZSVGGDE-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@](C)(O)C(F)F ZINC000886273792 592193182 /nfs/dbraw/zinc/19/31/82/592193182.db2.gz GRIYOAOZSVGGDE-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000886319388 592207297 /nfs/dbraw/zinc/20/72/97/592207297.db2.gz CAUQTVUQGDOEJV-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000886319388 592207298 /nfs/dbraw/zinc/20/72/98/592207298.db2.gz CAUQTVUQGDOEJV-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000886319388 592207299 /nfs/dbraw/zinc/20/72/99/592207299.db2.gz CAUQTVUQGDOEJV-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000886319388 592207300 /nfs/dbraw/zinc/20/73/00/592207300.db2.gz CAUQTVUQGDOEJV-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO Cn1ccc(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886461325 592227945 /nfs/dbraw/zinc/22/79/45/592227945.db2.gz QOPNSPDFIZTDMN-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO Cn1ccc(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886461325 592227947 /nfs/dbraw/zinc/22/79/47/592227947.db2.gz QOPNSPDFIZTDMN-UHFFFAOYSA-N 1 2 232.291 0.418 20 0 BCADLO FC(F)COCC[N@@H+]1CCCn2nncc2C1 ZINC000886463069 592228170 /nfs/dbraw/zinc/22/81/70/592228170.db2.gz ONRKNAIPKYTGFR-UHFFFAOYSA-N 1 2 246.261 0.766 20 0 BCADLO FC(F)COCC[N@H+]1CCCn2nncc2C1 ZINC000886463069 592228172 /nfs/dbraw/zinc/22/81/72/592228172.db2.gz ONRKNAIPKYTGFR-UHFFFAOYSA-N 1 2 246.261 0.766 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886466949 592228524 /nfs/dbraw/zinc/22/85/24/592228524.db2.gz PPSLEQJNJWOGQE-NSHDSACASA-N 1 2 249.318 0.105 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886466949 592228525 /nfs/dbraw/zinc/22/85/25/592228525.db2.gz PPSLEQJNJWOGQE-NSHDSACASA-N 1 2 249.318 0.105 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCn3nncc3C2)[nH]1 ZINC000886464877 592228826 /nfs/dbraw/zinc/22/88/26/592228826.db2.gz KSDFHNIMECVPQM-UHFFFAOYSA-N 1 2 233.279 0.111 20 0 BCADLO Cc1nnc(C[N@H+]2CCCn3nncc3C2)[nH]1 ZINC000886464877 592228828 /nfs/dbraw/zinc/22/88/28/592228828.db2.gz KSDFHNIMECVPQM-UHFFFAOYSA-N 1 2 233.279 0.111 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC ZINC000886470688 592229511 /nfs/dbraw/zinc/22/95/11/592229511.db2.gz XFPUIDNGRMCXCK-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC ZINC000886470688 592229512 /nfs/dbraw/zinc/22/95/12/592229512.db2.gz XFPUIDNGRMCXCK-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO Cc1[nH]c(CN(C)[C@@H]2COC[C@H]2O)[nH+]c1C ZINC000886517814 592241543 /nfs/dbraw/zinc/24/15/43/592241543.db2.gz RVCFGMAXHGWURZ-NXEZZACHSA-N 1 2 225.292 0.218 20 0 BCADLO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1COC[C@H]1O ZINC000886517722 592241902 /nfs/dbraw/zinc/24/19/02/592241902.db2.gz OWBXAGGQONGJOO-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1COC[C@H]1O ZINC000886517722 592241907 /nfs/dbraw/zinc/24/19/07/592241907.db2.gz OWBXAGGQONGJOO-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 ZINC000886608360 592273785 /nfs/dbraw/zinc/27/37/85/592273785.db2.gz VCKLRJCCJJYVMJ-AOOOYVTPSA-N 1 2 249.314 0.559 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)c1ncc[nH]1)C2 ZINC000886611411 592274340 /nfs/dbraw/zinc/27/43/40/592274340.db2.gz AZJCEVNANADYLO-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678505 592300612 /nfs/dbraw/zinc/30/06/12/592300612.db2.gz FMLPRBRXXSODLE-MNOVXSKESA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678505 592300618 /nfs/dbraw/zinc/30/06/18/592300618.db2.gz FMLPRBRXXSODLE-MNOVXSKESA-N 1 2 247.298 0.972 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818081 592339040 /nfs/dbraw/zinc/33/90/40/592339040.db2.gz AGZJOTLXLKKWRK-ZYHUDNBSSA-N 1 2 236.319 0.848 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818081 592339044 /nfs/dbraw/zinc/33/90/44/592339044.db2.gz AGZJOTLXLKKWRK-ZYHUDNBSSA-N 1 2 236.319 0.848 20 0 BCADLO CCOC(=O)C[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000886905699 592393254 /nfs/dbraw/zinc/39/32/54/592393254.db2.gz KFSRNVJOWCXNAY-GHMZBOCLSA-N 1 2 245.319 0.581 20 0 BCADLO CCOCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886947238 592400042 /nfs/dbraw/zinc/40/00/42/592400042.db2.gz ZBPZDJBGRUHDRS-MNOVXSKESA-N 1 2 245.319 0.723 20 0 BCADLO CCOCC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886947237 592400285 /nfs/dbraw/zinc/40/02/85/592400285.db2.gz ZBPZDJBGRUHDRS-GHMZBOCLSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCCO ZINC000886953309 592401002 /nfs/dbraw/zinc/40/10/02/592401002.db2.gz XUGPKJRYGAYBSL-WDEREUQCSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](C)CO ZINC000886946294 592401128 /nfs/dbraw/zinc/40/11/28/592401128.db2.gz JHGBDMZEUMKETC-VWYCJHECSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCCO ZINC000886953308 592401378 /nfs/dbraw/zinc/40/13/78/592401378.db2.gz XUGPKJRYGAYBSL-QWRGUYRKSA-N 1 2 245.319 0.459 20 0 BCADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCOC ZINC000886958739 592402379 /nfs/dbraw/zinc/40/23/79/592402379.db2.gz DDWYENGYJYOIMF-WDEREUQCSA-N 1 2 245.319 0.723 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887077168 592435327 /nfs/dbraw/zinc/43/53/27/592435327.db2.gz GCZIWHKEHUPLFZ-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887077168 592435331 /nfs/dbraw/zinc/43/53/31/592435331.db2.gz GCZIWHKEHUPLFZ-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074536 592435871 /nfs/dbraw/zinc/43/58/71/592435871.db2.gz YNBFLFYDFHJUOG-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074536 592435873 /nfs/dbraw/zinc/43/58/73/592435873.db2.gz YNBFLFYDFHJUOG-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887077171 592435922 /nfs/dbraw/zinc/43/59/22/592435922.db2.gz GCZIWHKEHUPLFZ-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887077171 592435923 /nfs/dbraw/zinc/43/59/23/592435923.db2.gz GCZIWHKEHUPLFZ-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO C=C=CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000889424439 592610677 /nfs/dbraw/zinc/61/06/77/592610677.db2.gz YMFWCCITEKVCCU-UHFFFAOYSA-N 1 2 247.302 0.791 20 0 BCADLO C=C=CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000889424439 592610679 /nfs/dbraw/zinc/61/06/79/592610679.db2.gz YMFWCCITEKVCCU-UHFFFAOYSA-N 1 2 247.302 0.791 20 0 BCADLO CCc1cc(C(=O)NCc2cn(C)c[nH+]2)no1 ZINC000890099594 592679290 /nfs/dbraw/zinc/67/92/90/592679290.db2.gz BUZSLBPBZNGMEI-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890104240 592679854 /nfs/dbraw/zinc/67/98/54/592679854.db2.gz WKZHUTBTNXAAMT-ONGXEEELSA-N 1 2 237.303 0.851 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890106532 592680980 /nfs/dbraw/zinc/68/09/80/592680980.db2.gz BTQRIGGTCWEOAF-UHFFFAOYSA-N 1 2 248.290 0.270 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2c[nH]nc2C2CC2)c1 ZINC000890106693 592681163 /nfs/dbraw/zinc/68/11/63/592681163.db2.gz AUKZFLUKUYCTOY-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC23CC3)c1 ZINC000890105216 592681654 /nfs/dbraw/zinc/68/16/54/592681654.db2.gz ZGWJFNMHTNANIR-VIFPVBQESA-N 1 2 205.261 0.836 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@H]2CCCOC2)c1 ZINC000890107007 592681924 /nfs/dbraw/zinc/68/19/24/592681924.db2.gz FZTKHIZYRJBDIX-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC[C@@H]2CCOC2)c1 ZINC000890110158 592683665 /nfs/dbraw/zinc/68/36/65/592683665.db2.gz LSKYDJZRZGPLGL-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890110777 592683816 /nfs/dbraw/zinc/68/38/16/592683816.db2.gz UTYZEQPSUQENOU-GHMZBOCLSA-N 1 2 237.303 0.994 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890110819 592684120 /nfs/dbraw/zinc/68/41/20/592684120.db2.gz WBQRLBHMEJUJPI-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO COCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117801 592685602 /nfs/dbraw/zinc/68/56/02/592685602.db2.gz YSIXTDUJWPBLOA-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)n1C ZINC000890117716 592686044 /nfs/dbraw/zinc/68/60/44/592686044.db2.gz SIGHDUHGNQZIAY-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000225835723 598213937 /nfs/dbraw/zinc/21/39/37/598213937.db2.gz WTKSBGONZHYFEG-RKDXNWHRSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000225835723 598213938 /nfs/dbraw/zinc/21/39/38/598213938.db2.gz WTKSBGONZHYFEG-RKDXNWHRSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000049475168 598214937 /nfs/dbraw/zinc/21/49/37/598214937.db2.gz ROKWZZFPPNKUFR-SECBINFHSA-N 1 2 200.282 0.535 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[NH+]1CCCCC1 ZINC000049474522 598214944 /nfs/dbraw/zinc/21/49/44/598214944.db2.gz XTOGFWAKJPBPIW-SNVBAGLBSA-N 1 2 214.309 0.925 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(=O)[O-] ZINC000049235287 598214975 /nfs/dbraw/zinc/21/49/75/598214975.db2.gz WIIFGCHXOJLUDM-DTWKUNHWSA-N 1 2 211.265 0.724 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000309523812 599920404 /nfs/dbraw/zinc/92/04/04/599920404.db2.gz AVSUWAQZCAZKHF-ZJUUUORDSA-N 1 2 223.276 0.993 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000309523812 599920407 /nfs/dbraw/zinc/92/04/07/599920407.db2.gz AVSUWAQZCAZKHF-ZJUUUORDSA-N 1 2 223.276 0.993 20 0 BCADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ncnn1C ZINC000893433753 634466825 /nfs/dbraw/zinc/46/68/25/634466825.db2.gz MPZLTHJCXBLIJN-QMMMGPOBSA-N 1 2 247.306 0.844 20 0 BCADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ncnn1C ZINC000893433753 634466832 /nfs/dbraw/zinc/46/68/32/634466832.db2.gz MPZLTHJCXBLIJN-QMMMGPOBSA-N 1 2 247.306 0.844 20 0 BCADLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235718 634478180 /nfs/dbraw/zinc/47/81/80/634478180.db2.gz GUALIGRKHNRBAW-NSHDSACASA-N 1 2 231.299 0.824 20 0 BCADLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093235718 634478184 /nfs/dbraw/zinc/47/81/84/634478184.db2.gz GUALIGRKHNRBAW-NSHDSACASA-N 1 2 231.299 0.824 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001009784112 634569319 /nfs/dbraw/zinc/56/93/19/634569319.db2.gz AGFWAJGJLQJONH-GFCCVEGCSA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001009784112 634569323 /nfs/dbraw/zinc/56/93/23/634569323.db2.gz AGFWAJGJLQJONH-GFCCVEGCSA-N 1 2 237.278 0.931 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cnsn1 ZINC001010329086 635363001 /nfs/dbraw/zinc/36/30/01/635363001.db2.gz KCERBTLHZQYOKO-ZETCQYMHSA-N 1 2 244.295 0.312 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cnsn1 ZINC001010329086 635363005 /nfs/dbraw/zinc/36/30/05/635363005.db2.gz KCERBTLHZQYOKO-ZETCQYMHSA-N 1 2 244.295 0.312 20 0 BCADLO COC[C@H](O)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000230158632 635481547 /nfs/dbraw/zinc/48/15/47/635481547.db2.gz YZAWBDCCTVADEB-NXEZZACHSA-N 1 2 247.335 0.704 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324188 631250921 /nfs/dbraw/zinc/25/09/21/631250921.db2.gz SLJLJBNFRXWYOM-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](O)CC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324188 631250927 /nfs/dbraw/zinc/25/09/27/631250927.db2.gz SLJLJBNFRXWYOM-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO CCOCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308395443 631253927 /nfs/dbraw/zinc/25/39/27/631253927.db2.gz YGONGFUSEYNYNM-UHFFFAOYSA-N 1 2 209.249 0.317 20 0 BCADLO CC(C)NC(=O)NCC[N@H+](C1CC1)C1COC1 ZINC000564904609 631290845 /nfs/dbraw/zinc/29/08/45/631290845.db2.gz BRXZMSRTWFDGRJ-UHFFFAOYSA-N 1 2 241.335 0.557 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+](C1CC1)C1COC1 ZINC000564904609 631290852 /nfs/dbraw/zinc/29/08/52/631290852.db2.gz BRXZMSRTWFDGRJ-UHFFFAOYSA-N 1 2 241.335 0.557 20 0 BCADLO Nc1ccc(CNC(=O)[C@H]2CCCO2)c[nH+]1 ZINC000308377815 631313872 /nfs/dbraw/zinc/31/38/72/631313872.db2.gz CHCDQRYRAUKDFR-SECBINFHSA-N 1 2 221.260 0.459 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394303 631358557 /nfs/dbraw/zinc/35/85/57/631358557.db2.gz NPAZOLSGBFDHOL-UHFFFAOYSA-N 1 2 237.303 0.745 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394303 631358561 /nfs/dbraw/zinc/35/85/61/631358561.db2.gz NPAZOLSGBFDHOL-UHFFFAOYSA-N 1 2 237.303 0.745 20 0 BCADLO CCN(C(=O)C1CCC1)C1C[NH+](CCOC)C1 ZINC000949551093 631369439 /nfs/dbraw/zinc/36/94/39/631369439.db2.gz ACTRTWBIJNXTHY-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO COC(C[N@@H+]1CCNC(=O)[C@@H]1C(C)C)OC ZINC000161030465 631376273 /nfs/dbraw/zinc/37/62/73/631376273.db2.gz SVOGDITZKWMTAA-JTQLQIEISA-N 1 2 230.308 0.062 20 0 BCADLO COC(C[N@H+]1CCNC(=O)[C@@H]1C(C)C)OC ZINC000161030465 631376278 /nfs/dbraw/zinc/37/62/78/631376278.db2.gz SVOGDITZKWMTAA-JTQLQIEISA-N 1 2 230.308 0.062 20 0 BCADLO Cc1cc(N)nc(SCC[S@@](C)=O)[nH+]1 ZINC000308514131 631409212 /nfs/dbraw/zinc/40/92/12/631409212.db2.gz LYIDHYFINBEVRL-CQSZACIVSA-N 1 2 231.346 0.838 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000308598736 631436491 /nfs/dbraw/zinc/43/64/91/631436491.db2.gz NOUFTBFINDWODM-IONNQARKSA-N 1 2 201.266 0.299 20 0 BCADLO CNc1cc(NCC(=O)NC(C)C)nc[nH+]1 ZINC000087813075 631482380 /nfs/dbraw/zinc/48/23/80/631482380.db2.gz DTOQFBQFEJBBFI-UHFFFAOYSA-N 1 2 223.280 0.455 20 0 BCADLO CNc1cc(NCC(=O)NC(C)C)[nH+]cn1 ZINC000087813075 631482385 /nfs/dbraw/zinc/48/23/85/631482385.db2.gz DTOQFBQFEJBBFI-UHFFFAOYSA-N 1 2 223.280 0.455 20 0 BCADLO CNc1cc(N(C)CC(=O)N(C)C)nc[nH+]1 ZINC000087810616 631483620 /nfs/dbraw/zinc/48/36/20/631483620.db2.gz JJCJDFJJSHJQBW-UHFFFAOYSA-N 1 2 223.280 0.043 20 0 BCADLO CNc1cc(N(C)CC(=O)N(C)C)[nH+]cn1 ZINC000087810616 631483625 /nfs/dbraw/zinc/48/36/25/631483625.db2.gz JJCJDFJJSHJQBW-UHFFFAOYSA-N 1 2 223.280 0.043 20 0 BCADLO COC(C[N@@H+]1CC(=O)NC[C@H]1C(C)(C)C)OC ZINC000933828381 631518726 /nfs/dbraw/zinc/51/87/26/631518726.db2.gz JBXSKLWMIJPVEL-VIFPVBQESA-N 1 2 244.335 0.452 20 0 BCADLO COC(C[N@H+]1CC(=O)NC[C@H]1C(C)(C)C)OC ZINC000933828381 631518736 /nfs/dbraw/zinc/51/87/36/631518736.db2.gz JBXSKLWMIJPVEL-VIFPVBQESA-N 1 2 244.335 0.452 20 0 BCADLO CNc1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000234514068 631560967 /nfs/dbraw/zinc/56/09/67/631560967.db2.gz ANBMRSJWEZYTQJ-UHFFFAOYSA-N 1 2 219.252 0.259 20 0 BCADLO CNc1cc(NCc2ncn(C)n2)[nH+]cn1 ZINC000234514068 631560982 /nfs/dbraw/zinc/56/09/82/631560982.db2.gz ANBMRSJWEZYTQJ-UHFFFAOYSA-N 1 2 219.252 0.259 20 0 BCADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H]2CO)n1 ZINC000934012888 631592436 /nfs/dbraw/zinc/59/24/36/631592436.db2.gz FFRIINKIUNGIOT-DTWKUNHWSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H]2CO)n1 ZINC000934012888 631592447 /nfs/dbraw/zinc/59/24/47/631592447.db2.gz FFRIINKIUNGIOT-DTWKUNHWSA-N 1 2 223.276 0.618 20 0 BCADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934013877 631593610 /nfs/dbraw/zinc/59/36/10/631593610.db2.gz XEBPEPCQLUQXFR-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934013877 631593614 /nfs/dbraw/zinc/59/36/14/631593614.db2.gz XEBPEPCQLUQXFR-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO COC(=O)[C@H]([N@@H+]1CC[C@H]1CO)C1(OC)CCC1 ZINC000934017783 631614375 /nfs/dbraw/zinc/61/43/75/631614375.db2.gz HPYOJTCIXSVRNP-UWVGGRQHSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]([N@H+]1CC[C@H]1CO)C1(OC)CCC1 ZINC000934017783 631614379 /nfs/dbraw/zinc/61/43/79/631614379.db2.gz HPYOJTCIXSVRNP-UWVGGRQHSA-N 1 2 243.303 0.164 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]1CO ZINC000934023936 631624247 /nfs/dbraw/zinc/62/42/47/631624247.db2.gz NAXJFWKMEIGSAC-MRVPVSSYSA-N 1 2 229.711 0.949 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]1CO ZINC000934023936 631624253 /nfs/dbraw/zinc/62/42/53/631624253.db2.gz NAXJFWKMEIGSAC-MRVPVSSYSA-N 1 2 229.711 0.949 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NCc1ccccc1 ZINC000934028800 631628166 /nfs/dbraw/zinc/62/81/66/631628166.db2.gz ZZPSYARQLIYUHI-GFCCVEGCSA-N 1 2 234.299 0.369 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NCc1ccccc1 ZINC000934028800 631628170 /nfs/dbraw/zinc/62/81/70/631628170.db2.gz ZZPSYARQLIYUHI-GFCCVEGCSA-N 1 2 234.299 0.369 20 0 BCADLO COC(=O)c1oc(C[N@@H+]2CC[C@@H]2CO)cc1C ZINC000934029651 631629902 /nfs/dbraw/zinc/62/99/02/631629902.db2.gz VKGVTCABXXLUMJ-SECBINFHSA-N 1 2 239.271 0.941 20 0 BCADLO COC(=O)c1oc(C[N@H+]2CC[C@@H]2CO)cc1C ZINC000934029651 631629907 /nfs/dbraw/zinc/62/99/07/631629907.db2.gz VKGVTCABXXLUMJ-SECBINFHSA-N 1 2 239.271 0.941 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000894119827 635671937 /nfs/dbraw/zinc/67/19/37/635671937.db2.gz QEBAVMDSRTTZRD-OCAPTIKFSA-N 1 2 208.265 0.478 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000894119827 635671945 /nfs/dbraw/zinc/67/19/45/635671945.db2.gz QEBAVMDSRTTZRD-OCAPTIKFSA-N 1 2 208.265 0.478 20 0 BCADLO COCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000308856976 631697925 /nfs/dbraw/zinc/69/79/25/631697925.db2.gz UBGDMXGHGQCBIE-UHFFFAOYSA-N 1 2 210.233 0.744 20 0 BCADLO CC[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)OC ZINC000308903527 631722807 /nfs/dbraw/zinc/72/28/07/631722807.db2.gz BWPRPDVOYCOFIP-UWVGGRQHSA-N 1 2 215.293 0.689 20 0 BCADLO Cc1cc(C[NH2+][C@H](C)C(=O)N(C)C)no1 ZINC000044724980 631818463 /nfs/dbraw/zinc/81/84/63/631818463.db2.gz KRRCOIAUYZIGLL-MRVPVSSYSA-N 1 2 211.265 0.549 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC[C@H](O)[C@@H](F)C2)n1 ZINC000934568416 631936372 /nfs/dbraw/zinc/93/63/72/631936372.db2.gz WALAOZYJEAHIQD-UWVGGRQHSA-N 1 2 243.282 0.715 20 0 BCADLO Cc1noc(CCC[N@H+]2CC[C@H](O)[C@@H](F)C2)n1 ZINC000934568416 631936374 /nfs/dbraw/zinc/93/63/74/631936374.db2.gz WALAOZYJEAHIQD-UWVGGRQHSA-N 1 2 243.282 0.715 20 0 BCADLO CCOC(C[N@@H+]1CC[C@H](O)[C@@H](F)C1)OCC ZINC000934568428 631937523 /nfs/dbraw/zinc/93/75/23/631937523.db2.gz WBRDZUGVUUXFGQ-UWVGGRQHSA-N 1 2 235.299 0.790 20 0 BCADLO CCOC(C[N@H+]1CC[C@H](O)[C@@H](F)C1)OCC ZINC000934568428 631937526 /nfs/dbraw/zinc/93/75/26/631937526.db2.gz WBRDZUGVUUXFGQ-UWVGGRQHSA-N 1 2 235.299 0.790 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@@H](O)[C@@H](F)C1)CC(F)(F)F ZINC000934573172 631948127 /nfs/dbraw/zinc/94/81/27/631948127.db2.gz NIJRDBDFTWQZNE-BIIVOSGPSA-N 1 2 245.216 0.704 20 0 BCADLO O[C@H](C[N@H+]1CC[C@@H](O)[C@@H](F)C1)CC(F)(F)F ZINC000934573172 631948129 /nfs/dbraw/zinc/94/81/29/631948129.db2.gz NIJRDBDFTWQZNE-BIIVOSGPSA-N 1 2 245.216 0.704 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934579074 631950199 /nfs/dbraw/zinc/95/01/99/631950199.db2.gz GRIQDVCPYSHDJX-VXGBXAGGSA-N 1 2 241.310 0.942 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934579074 631950200 /nfs/dbraw/zinc/95/02/00/631950200.db2.gz GRIQDVCPYSHDJX-VXGBXAGGSA-N 1 2 241.310 0.942 20 0 BCADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@H]2CCO[C@@H]21 ZINC000309358922 632010826 /nfs/dbraw/zinc/01/08/26/632010826.db2.gz ADOPATFEJKRVHJ-KYXWUPHJSA-N 1 2 225.288 0.705 20 0 BCADLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052007820 632040801 /nfs/dbraw/zinc/04/08/01/632040801.db2.gz KEFGYBHOLOWGCF-NSHDSACASA-N 1 2 247.298 0.869 20 0 BCADLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052007820 632040808 /nfs/dbraw/zinc/04/08/08/632040808.db2.gz KEFGYBHOLOWGCF-NSHDSACASA-N 1 2 247.298 0.869 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CCCO1 ZINC000052101807 632071536 /nfs/dbraw/zinc/07/15/36/632071536.db2.gz FBHMDNIDXKAGAK-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCCO1 ZINC000052101807 632071542 /nfs/dbraw/zinc/07/15/42/632071542.db2.gz FBHMDNIDXKAGAK-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000926504012 632400840 /nfs/dbraw/zinc/40/08/40/632400840.db2.gz QCZJZXRRZKCQRB-IUCAKERBSA-N 1 2 234.303 0.442 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)n1 ZINC000926535415 632454436 /nfs/dbraw/zinc/45/44/36/632454436.db2.gz SZXZIVVQRZMFKL-FXBDTBDDSA-N 1 2 240.307 0.017 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(CO)on1 ZINC000926638957 632762739 /nfs/dbraw/zinc/76/27/39/632762739.db2.gz YPBDDFJTGBKGNS-AVPPRXQKSA-N 1 2 242.275 0.231 20 0 BCADLO CC[C@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000309214658 632818599 /nfs/dbraw/zinc/81/85/99/632818599.db2.gz UEGPFMIOUQZISP-GXSJLCMTSA-N 1 2 215.293 0.689 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2cn[nH]n2)c[nH+]1 ZINC000935595238 632846728 /nfs/dbraw/zinc/84/67/28/632846728.db2.gz BXALABFHHOYUQT-UHFFFAOYSA-N 1 2 234.263 0.683 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cn[nH]n1 ZINC000935597105 632853007 /nfs/dbraw/zinc/85/30/07/632853007.db2.gz HPYOYTHSSMJGQC-UHFFFAOYSA-N 1 2 206.209 0.099 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924564219 632877764 /nfs/dbraw/zinc/87/77/64/632877764.db2.gz MDLLXRYPGNZKIY-YUMQZZPRSA-N 1 2 241.291 0.858 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000309288165 632892115 /nfs/dbraw/zinc/89/21/15/632892115.db2.gz VEXZAFORJBWUBA-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000309288165 632892120 /nfs/dbraw/zinc/89/21/20/632892120.db2.gz VEXZAFORJBWUBA-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000048417384 635850555 /nfs/dbraw/zinc/85/05/55/635850555.db2.gz YLPXLUUWLJKSBI-UHFFFAOYSA-N 1 2 231.365 0.191 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000309421229 633047321 /nfs/dbraw/zinc/04/73/21/633047321.db2.gz XZPHZCSUZICWCB-JTQLQIEISA-N 1 2 221.264 0.667 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCOC2)cc[nH+]1 ZINC000309557149 633196704 /nfs/dbraw/zinc/19/67/04/633196704.db2.gz MWXADOVIMKBMHL-VIFPVBQESA-N 1 2 222.244 0.744 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909418771 636008944 /nfs/dbraw/zinc/00/89/44/636008944.db2.gz CJQJPRXPNWEFIH-SCZZXKLOSA-N 1 2 223.276 0.182 20 0 BCADLO CN(C)c1cc(N[C@@H]2COCC[C@H]2O)[nH+]cn1 ZINC000894989528 636013005 /nfs/dbraw/zinc/01/30/05/636013005.db2.gz HAZNDYPLCBQWFW-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CN(C)c1cc(N[C@@H]2COCC[C@H]2O)nc[nH+]1 ZINC000894989528 636013008 /nfs/dbraw/zinc/01/30/08/636013008.db2.gz HAZNDYPLCBQWFW-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552917 636087625 /nfs/dbraw/zinc/08/76/25/636087625.db2.gz ADBGVHGKNQPNAA-WDSKDSINSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552917 636087629 /nfs/dbraw/zinc/08/76/29/636087629.db2.gz ADBGVHGKNQPNAA-WDSKDSINSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553536 636088135 /nfs/dbraw/zinc/08/81/35/636088135.db2.gz FZULHKGXDUKDBG-BDAKNGLRSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553536 636088138 /nfs/dbraw/zinc/08/81/38/636088138.db2.gz FZULHKGXDUKDBG-BDAKNGLRSA-N 1 2 249.318 0.045 20 0 BCADLO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)sn1 ZINC000928556172 636094265 /nfs/dbraw/zinc/09/42/65/636094265.db2.gz WSDRCGVSQYEPIC-SSDOTTSWSA-N 1 2 241.316 0.586 20 0 BCADLO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C)sn1 ZINC000928556172 636094269 /nfs/dbraw/zinc/09/42/69/636094269.db2.gz WSDRCGVSQYEPIC-SSDOTTSWSA-N 1 2 241.316 0.586 20 0 BCADLO CCC(=O)C1(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928556175 636094616 /nfs/dbraw/zinc/09/46/16/636094616.db2.gz SIPBYPOWITWDJE-SECBINFHSA-N 1 2 224.304 0.566 20 0 BCADLO CCC(=O)C1(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928556175 636094618 /nfs/dbraw/zinc/09/46/18/636094618.db2.gz SIPBYPOWITWDJE-SECBINFHSA-N 1 2 224.304 0.566 20 0 BCADLO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)sn1 ZINC000928556177 636094728 /nfs/dbraw/zinc/09/47/28/636094728.db2.gz WSDRCGVSQYEPIC-ZETCQYMHSA-N 1 2 241.316 0.586 20 0 BCADLO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)sn1 ZINC000928556177 636094734 /nfs/dbraw/zinc/09/47/34/636094734.db2.gz WSDRCGVSQYEPIC-ZETCQYMHSA-N 1 2 241.316 0.586 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCC(=O)CC1 ZINC000928556663 636095771 /nfs/dbraw/zinc/09/57/71/636095771.db2.gz UMOBHEPXGFZMNK-SNVBAGLBSA-N 1 2 238.331 0.956 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCC(=O)CC1 ZINC000928556663 636095772 /nfs/dbraw/zinc/09/57/72/636095772.db2.gz UMOBHEPXGFZMNK-SNVBAGLBSA-N 1 2 238.331 0.956 20 0 BCADLO CCc1nnc(C(=O)NC[C@H]2CC[N@@H+]2C)s1 ZINC000928557185 636096134 /nfs/dbraw/zinc/09/61/34/636096134.db2.gz XOKBPFFUXYEGHC-SSDOTTSWSA-N 1 2 240.332 0.534 20 0 BCADLO CCc1nnc(C(=O)NC[C@H]2CC[N@H+]2C)s1 ZINC000928557185 636096136 /nfs/dbraw/zinc/09/61/36/636096136.db2.gz XOKBPFFUXYEGHC-SSDOTTSWSA-N 1 2 240.332 0.534 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)c1ccccc1 ZINC000928557936 636098246 /nfs/dbraw/zinc/09/82/46/636098246.db2.gz VKBHUTUODOEXGK-NSHDSACASA-N 1 2 232.283 0.690 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)c1ccccc1 ZINC000928557936 636098250 /nfs/dbraw/zinc/09/82/50/636098250.db2.gz VKBHUTUODOEXGK-NSHDSACASA-N 1 2 232.283 0.690 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cncs1 ZINC000928557970 636099280 /nfs/dbraw/zinc/09/92/80/636099280.db2.gz VTHZOVQLNNZCLJ-ZETCQYMHSA-N 1 2 211.290 0.577 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1cncs1 ZINC000928557970 636099283 /nfs/dbraw/zinc/09/92/83/636099283.db2.gz VTHZOVQLNNZCLJ-ZETCQYMHSA-N 1 2 211.290 0.577 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000893093255 633827666 /nfs/dbraw/zinc/82/76/66/633827666.db2.gz QUTNPJCUXKQPKA-ZETCQYMHSA-N 1 2 239.279 0.049 20 0 BCADLO CC1(C)COCC[N@@H+]1CC1OCCO1 ZINC000182086233 633936358 /nfs/dbraw/zinc/93/63/58/633936358.db2.gz VCUABEXIJGEAPH-UHFFFAOYSA-N 1 2 201.266 0.470 20 0 BCADLO CC1(C)COCC[N@H+]1CC1OCCO1 ZINC000182086233 633936366 /nfs/dbraw/zinc/93/63/66/633936366.db2.gz VCUABEXIJGEAPH-UHFFFAOYSA-N 1 2 201.266 0.470 20 0 BCADLO NC(=O)C1([NH2+]Cc2ncccn2)CCCC1 ZINC000309599565 633963320 /nfs/dbraw/zinc/96/33/20/633963320.db2.gz VYJJXZMTHVOJSJ-UHFFFAOYSA-N 1 2 220.276 0.364 20 0 BCADLO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1nccn1C ZINC000309727325 633995223 /nfs/dbraw/zinc/99/52/23/633995223.db2.gz YKRSWXYEDFJDJO-SECBINFHSA-N 1 2 245.348 0.505 20 0 BCADLO CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895470066 636149032 /nfs/dbraw/zinc/14/90/32/636149032.db2.gz RFZHGBOSJDPQMM-VIFPVBQESA-N 1 2 208.265 0.536 20 0 BCADLO CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895470066 636149033 /nfs/dbraw/zinc/14/90/33/636149033.db2.gz RFZHGBOSJDPQMM-VIFPVBQESA-N 1 2 208.265 0.536 20 0 BCADLO CCNC(=O)C[N@H+](CC)C/C=C\C(=O)OCC ZINC000310023125 634083054 /nfs/dbraw/zinc/08/30/54/634083054.db2.gz BOGUYGPIPVDOLB-FPLPWBNLSA-N 1 2 242.319 0.564 20 0 BCADLO CCNC(=O)C[N@@H+](CC)C/C=C\C(=O)OCC ZINC000310023125 634083055 /nfs/dbraw/zinc/08/30/55/634083055.db2.gz BOGUYGPIPVDOLB-FPLPWBNLSA-N 1 2 242.319 0.564 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000924126654 634104970 /nfs/dbraw/zinc/10/49/70/634104970.db2.gz YUBRWUQSHGRLPN-HBNTYKKESA-N 1 2 243.303 0.285 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000924126654 634104976 /nfs/dbraw/zinc/10/49/76/634104976.db2.gz YUBRWUQSHGRLPN-HBNTYKKESA-N 1 2 243.303 0.285 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930862354 634142377 /nfs/dbraw/zinc/14/23/77/634142377.db2.gz KGCZAEIWASERJJ-HEVUJZLWSA-N 1 2 243.328 0.311 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930862354 634142382 /nfs/dbraw/zinc/14/23/82/634142382.db2.gz KGCZAEIWASERJJ-HEVUJZLWSA-N 1 2 243.328 0.311 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189303959 634178114 /nfs/dbraw/zinc/17/81/14/634178114.db2.gz MLIILOVCJJQOSS-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000189303959 634178116 /nfs/dbraw/zinc/17/81/16/634178116.db2.gz MLIILOVCJJQOSS-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000296536857 634203552 /nfs/dbraw/zinc/20/35/52/634203552.db2.gz DRYQAZVKQAFAHE-IUCAKERBSA-N 1 2 238.291 0.291 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000296536857 634203557 /nfs/dbraw/zinc/20/35/57/634203557.db2.gz DRYQAZVKQAFAHE-IUCAKERBSA-N 1 2 238.291 0.291 20 0 BCADLO Cn1nnc(C[NH+]2CCCCCCC2)n1 ZINC000192961621 634258992 /nfs/dbraw/zinc/25/89/92/634258992.db2.gz BXHGIWDIHOFBQJ-UHFFFAOYSA-N 1 2 209.297 0.976 20 0 BCADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1ccon1 ZINC001027764880 635139146 /nfs/dbraw/zinc/13/91/46/635139146.db2.gz BFFLCTNXBPUUAC-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1ccon1 ZINC001027764880 635139151 /nfs/dbraw/zinc/13/91/51/635139151.db2.gz BFFLCTNXBPUUAC-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(c1cc[nH]n1)N1CCC[N@@H+](CCF)CC1 ZINC000980746597 635267755 /nfs/dbraw/zinc/26/77/55/635267755.db2.gz QRXWPGXBTGOXFT-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO O=C(c1cc[nH]n1)N1CCC[N@H+](CCF)CC1 ZINC000980746597 635267762 /nfs/dbraw/zinc/26/77/62/635267762.db2.gz QRXWPGXBTGOXFT-UHFFFAOYSA-N 1 2 240.282 0.527 20 0 BCADLO CC[C@H](OC)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980812483 635279018 /nfs/dbraw/zinc/27/90/18/635279018.db2.gz GPKRWARXNDBHBX-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO CC[C@H](OC)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980812483 635279024 /nfs/dbraw/zinc/27/90/24/635279024.db2.gz GPKRWARXNDBHBX-NSHDSACASA-N 1 2 246.326 0.915 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981094247 635315492 /nfs/dbraw/zinc/31/54/92/635315492.db2.gz OYGWVKPSJVCAHH-LLVKDONJSA-N 1 2 246.326 0.507 20 0 BCADLO CC(C)[C@@H](O)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981094247 635315498 /nfs/dbraw/zinc/31/54/98/635315498.db2.gz OYGWVKPSJVCAHH-LLVKDONJSA-N 1 2 246.326 0.507 20 0 BCADLO CNC(=O)CCN(C)c1cc(NC)[nH+]cn1 ZINC000234371601 635553206 /nfs/dbraw/zinc/55/32/06/635553206.db2.gz KMZJTYMAHOUFKL-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CNC(=O)CCN(C)c1cc(NC)nc[nH+]1 ZINC000234371601 635553212 /nfs/dbraw/zinc/55/32/12/635553212.db2.gz KMZJTYMAHOUFKL-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CC[C@H]([NH2+][C@H]1CNOC1)c1nccn1C ZINC000925870769 635583830 /nfs/dbraw/zinc/58/38/30/635583830.db2.gz IRYWPGOCCJRFPQ-IUCAKERBSA-N 1 2 210.281 0.364 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCCCO1 ZINC000249428018 635690836 /nfs/dbraw/zinc/69/08/36/635690836.db2.gz JDSKRCPXRMLWOP-GMTAPVOTSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCCCO1 ZINC000249428018 635690839 /nfs/dbraw/zinc/69/08/39/635690839.db2.gz JDSKRCPXRMLWOP-GMTAPVOTSA-N 1 2 243.303 0.164 20 0 BCADLO CNc1cc(NC[C@H](O)c2ccnn2C)[nH+]cn1 ZINC000896628080 636207435 /nfs/dbraw/zinc/20/74/35/636207435.db2.gz LWNODBARODJFDP-VIFPVBQESA-N 1 2 248.290 0.397 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](O)c1ccnn1C ZINC000896626938 636208154 /nfs/dbraw/zinc/20/81/54/636208154.db2.gz DCYGERWKBOULCT-JTQLQIEISA-N 1 2 248.286 0.969 20 0 BCADLO CC[N@H+](CCO)CC(=O)OCC(C)C ZINC000305781045 636332831 /nfs/dbraw/zinc/33/28/31/636332831.db2.gz OQFVSWKELWXUCI-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO CC[N@@H+](CCO)CC(=O)OCC(C)C ZINC000305781045 636332839 /nfs/dbraw/zinc/33/28/39/636332839.db2.gz OQFVSWKELWXUCI-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@H]1C ZINC000985831435 636423245 /nfs/dbraw/zinc/42/32/45/636423245.db2.gz HIOLPLSZFYSCBA-XCBNKYQSSA-N 1 2 238.291 0.477 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC000985831437 636423759 /nfs/dbraw/zinc/42/37/59/636423759.db2.gz HIOLPLSZFYSCBA-XVKPBYJWSA-N 1 2 238.291 0.477 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC000985831598 636424784 /nfs/dbraw/zinc/42/47/84/636424784.db2.gz ATLSBZLKTJZCRR-XVKPBYJWSA-N 1 2 240.332 0.637 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@H]1C ZINC000985835428 636426058 /nfs/dbraw/zinc/42/60/58/636426058.db2.gz YRBSZLDCRRFORH-GMSGAONNSA-N 1 2 238.291 0.477 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC000985835430 636426756 /nfs/dbraw/zinc/42/67/56/636426756.db2.gz YRBSZLDCRRFORH-OIBJUYFYSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000928896655 636472838 /nfs/dbraw/zinc/47/28/38/636472838.db2.gz GESZAALFYSPCNS-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000928905764 636488316 /nfs/dbraw/zinc/48/83/16/636488316.db2.gz CIXZKUFUJDHAJK-KOLCDFICSA-N 1 2 237.303 0.504 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000928905769 636488594 /nfs/dbraw/zinc/48/85/94/636488594.db2.gz CIXZKUFUJDHAJK-ONGXEEELSA-N 1 2 237.303 0.504 20 0 BCADLO C([NH2+]C1CSC1)c1noc2c1COCC2 ZINC000897366068 636492430 /nfs/dbraw/zinc/49/24/30/636492430.db2.gz QIAIJXAYUKUERG-UHFFFAOYSA-N 1 2 226.301 0.952 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)/C=C\Cl)C1 ZINC000928933677 636537719 /nfs/dbraw/zinc/53/77/19/636537719.db2.gz NSYGZLCSNQRJQQ-XRVBUDJMSA-N 1 2 246.738 0.964 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)/C=C\Cl)C1 ZINC000928933677 636537714 /nfs/dbraw/zinc/53/77/14/636537714.db2.gz NSYGZLCSNQRJQQ-XRVBUDJMSA-N 1 2 246.738 0.964 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C[C@H]1C ZINC000987638504 636657537 /nfs/dbraw/zinc/65/75/37/636657537.db2.gz ZFVGWWFSWDZXMX-VXNVDRBHSA-N 1 2 240.332 0.637 20 0 BCADLO NC(Cc1ccccc1)=[NH+]O[C@@H]1CCNC1=O ZINC000179118664 636663626 /nfs/dbraw/zinc/66/36/26/636663626.db2.gz GGUCFCPTPANYQS-SNVBAGLBSA-N 1 2 233.271 0.406 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1ncc[nH]1 ZINC000067694467 636768250 /nfs/dbraw/zinc/76/82/50/636768250.db2.gz NFQCQTCJDNEDNJ-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CNc1cc(N[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000323295522 636917233 /nfs/dbraw/zinc/91/72/33/636917233.db2.gz MYBCPVIALSUZDO-YUMQZZPRSA-N 1 2 208.265 0.844 20 0 BCADLO CNc1cc(N[C@H]2CCC[C@@H]2O)[nH+]cn1 ZINC000323295522 636917242 /nfs/dbraw/zinc/91/72/42/636917242.db2.gz MYBCPVIALSUZDO-YUMQZZPRSA-N 1 2 208.265 0.844 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(C)(C)F ZINC000898890178 637064702 /nfs/dbraw/zinc/06/47/02/637064702.db2.gz SWNBEXFHGRYPKY-ZETCQYMHSA-N 1 2 229.255 0.318 20 0 BCADLO Cn1cc(C(C)(C)NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900826801 637192276 /nfs/dbraw/zinc/19/22/76/637192276.db2.gz CSRHFIKEWBRADO-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO C[C@H](NC(=O)CNc1cccc[nH+]1)c1nc[nH]n1 ZINC000900902984 637195920 /nfs/dbraw/zinc/19/59/20/637195920.db2.gz DJPIQVBUIBPGAS-QMMMGPOBSA-N 1 2 246.274 0.489 20 0 BCADLO C[C@](O)(CNC(=O)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000900905008 637199498 /nfs/dbraw/zinc/19/94/98/637199498.db2.gz WNMWHVFWXQCBRS-LBPRGKRZSA-N 1 2 249.270 0.569 20 0 BCADLO COC/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000142 637225439 /nfs/dbraw/zinc/22/54/39/637225439.db2.gz KSVXTKSPCLHRER-PLNGDYQASA-N 1 2 223.276 0.845 20 0 BCADLO COCC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000142 637225444 /nfs/dbraw/zinc/22/54/44/637225444.db2.gz KSVXTKSPCLHRER-PLNGDYQASA-N 1 2 223.276 0.845 20 0 BCADLO Cc1[nH]c(CNc2ncn(C)n2)[nH+]c1C ZINC000902095888 637281091 /nfs/dbraw/zinc/28/10/91/637281091.db2.gz GZMSCUMTSYIGCA-UHFFFAOYSA-N 1 2 206.253 0.767 20 0 BCADLO C[C@H]1CC(=O)N(CCCc2c[nH+]cn2C)C1=O ZINC000902284229 637286249 /nfs/dbraw/zinc/28/62/49/637286249.db2.gz UKQQEDHIALEELN-VIFPVBQESA-N 1 2 235.287 0.748 20 0 BCADLO CC[NH2+]Cc1noc(Cc2cn(CC)nn2)n1 ZINC000904501521 637429158 /nfs/dbraw/zinc/42/91/58/637429158.db2.gz XAWQPZOPTYRULL-UHFFFAOYSA-N 1 2 236.279 0.381 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC1 ZINC000905019963 637545853 /nfs/dbraw/zinc/54/58/53/637545853.db2.gz RNIXFJKRSKKSIL-YUSALJHKSA-N 1 2 236.315 0.376 20 0 BCADLO Cn1nc2c(c1C(=O)N1CC[NH+](C)CC1)CCC2 ZINC000905016933 637549819 /nfs/dbraw/zinc/54/98/19/637549819.db2.gz HUOVXALHYCDKRE-UHFFFAOYSA-N 1 2 248.330 0.296 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=S)NC ZINC000905656029 637872174 /nfs/dbraw/zinc/87/21/74/637872174.db2.gz BYACUQVIIYTQBD-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@@H](C)CC(=O)NC)C(=O)OC ZINC000905768679 637923315 /nfs/dbraw/zinc/92/33/15/637923315.db2.gz AFNDWZYRHMVLIZ-ATZCPNFKSA-N 1 2 244.335 0.688 20 0 BCADLO COCC1C[NH+](CC[S@@](=O)C(F)(F)F)C1 ZINC000905971355 637985739 /nfs/dbraw/zinc/98/57/39/637985739.db2.gz NJHASGDTEYXAKB-OAHLLOKOSA-N 1 2 245.266 0.833 20 0 BCADLO C[C@](O)(C[NH+]1CC2(C1)CCCO2)C(F)F ZINC000905964564 637983567 /nfs/dbraw/zinc/98/35/67/637983567.db2.gz DWDZJHWBHFYAEA-VIFPVBQESA-N 1 2 221.247 0.867 20 0 BCADLO COC1C[NH+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000905951073 637998525 /nfs/dbraw/zinc/99/85/25/637998525.db2.gz ULWAKVHBZPQYSQ-JTQLQIEISA-N 1 2 229.320 0.373 20 0 BCADLO CCOC1C[NH+](C[C@](C)(O)C(F)F)C1 ZINC000905955540 638002886 /nfs/dbraw/zinc/00/28/86/638002886.db2.gz HBWJWHTVNFFGQL-VIFPVBQESA-N 1 2 209.236 0.723 20 0 BCADLO COC[C@H]1CC[N@@H+]1CC[S@@](=O)C(F)(F)F ZINC000905956624 638003405 /nfs/dbraw/zinc/00/34/05/638003405.db2.gz KXFYUGMMQWKXGF-KWKYVRJSSA-N 1 2 245.266 0.976 20 0 BCADLO COC[C@H]1CC[N@H+]1CC[S@@](=O)C(F)(F)F ZINC000905956624 638003409 /nfs/dbraw/zinc/00/34/09/638003409.db2.gz KXFYUGMMQWKXGF-KWKYVRJSSA-N 1 2 245.266 0.976 20 0 BCADLO COC[C@H]1CC[N@@H+]1CC[S@](=O)C(F)(F)F ZINC000905956625 638004567 /nfs/dbraw/zinc/00/45/67/638004567.db2.gz KXFYUGMMQWKXGF-MLXNANBUSA-N 1 2 245.266 0.976 20 0 BCADLO COC[C@H]1CC[N@H+]1CC[S@](=O)C(F)(F)F ZINC000905956625 638004571 /nfs/dbraw/zinc/00/45/71/638004571.db2.gz KXFYUGMMQWKXGF-MLXNANBUSA-N 1 2 245.266 0.976 20 0 BCADLO C[C@]1(O)CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906282200 638126091 /nfs/dbraw/zinc/12/60/91/638126091.db2.gz HOCWXLTYZRSXAK-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@]1(O)CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906282200 638126094 /nfs/dbraw/zinc/12/60/94/638126094.db2.gz HOCWXLTYZRSXAK-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906280137 638127381 /nfs/dbraw/zinc/12/73/81/638127381.db2.gz KZOHLINGCBTABJ-KCJUWKMLSA-N 1 2 222.292 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CC3)nn2)C[C@@H]1O ZINC000906280137 638127386 /nfs/dbraw/zinc/12/73/86/638127386.db2.gz KZOHLINGCBTABJ-KCJUWKMLSA-N 1 2 222.292 0.426 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CC3)nn2)CC[C@@H]1O ZINC000906298956 638135859 /nfs/dbraw/zinc/13/58/59/638135859.db2.gz FRYLNHANFTVLON-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CC[C@@H]1O ZINC000906298956 638135863 /nfs/dbraw/zinc/13/58/63/638135863.db2.gz FRYLNHANFTVLON-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CC3)nn2)CC[C@H]1O ZINC000906298955 638136452 /nfs/dbraw/zinc/13/64/52/638136452.db2.gz FRYLNHANFTVLON-JOYOIKCWSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CC[C@H]1O ZINC000906298955 638136456 /nfs/dbraw/zinc/13/64/56/638136456.db2.gz FRYLNHANFTVLON-JOYOIKCWSA-N 1 2 236.319 0.816 20 0 BCADLO O=C(CNc1cccc[nH+]1)NN1CCCC1=O ZINC000907253119 638333417 /nfs/dbraw/zinc/33/34/17/638333417.db2.gz PUEPLWCVZCICKS-UHFFFAOYSA-N 1 2 234.259 0.147 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000907260172 638333554 /nfs/dbraw/zinc/33/35/54/638333554.db2.gz IIQLQDXSSNPGCS-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](O)[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907264978 638336001 /nfs/dbraw/zinc/33/60/01/638336001.db2.gz OQVPFSYJKPRGRM-GHMZBOCLSA-N 1 2 249.314 0.723 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCCc1c[nH+]cn1C ZINC000907308137 638338661 /nfs/dbraw/zinc/33/86/61/638338661.db2.gz OZIKZSMATAUQLS-FSIBCCDJSA-N 1 2 223.276 0.016 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC(CO)CC1 ZINC000907284486 638341522 /nfs/dbraw/zinc/34/15/22/638341522.db2.gz GSINRQHSRIWGSG-UHFFFAOYSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOCC1CCC1 ZINC000907399763 638373347 /nfs/dbraw/zinc/37/33/47/638373347.db2.gz WYVKZESSTGTFSA-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907452226 638387411 /nfs/dbraw/zinc/38/74/11/638387411.db2.gz PGHBKZJJQWXHBG-OTDNITJGSA-N 1 2 249.314 0.937 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1CCO ZINC000907541438 638398634 /nfs/dbraw/zinc/39/86/34/638398634.db2.gz SGMILIFQPLIMMI-JTQLQIEISA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000907516126 638400246 /nfs/dbraw/zinc/40/02/46/638400246.db2.gz RWDMAZGTPCCNOR-AOOOYVTPSA-N 1 2 233.271 0.675 20 0 BCADLO CN(CC1(CO)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907606565 638420847 /nfs/dbraw/zinc/42/08/47/638420847.db2.gz DBHSZOKTIFJTAH-UHFFFAOYSA-N 1 2 223.276 0.183 20 0 BCADLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC000907622316 638422228 /nfs/dbraw/zinc/42/22/28/638422228.db2.gz MKMXGSBUTUKCNQ-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CO ZINC000907632203 638426569 /nfs/dbraw/zinc/42/65/69/638426569.db2.gz MNWWJRUHBQFZAM-SCZZXKLOSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCCO1 ZINC000907666067 638437795 /nfs/dbraw/zinc/43/77/95/638437795.db2.gz IPKLXQQEBWEROA-UHFFFAOYSA-N 1 2 209.249 0.896 20 0 BCADLO O=C(CCF)NCC1([NH+]2CCOCC2)CC1 ZINC000907757888 638462897 /nfs/dbraw/zinc/46/28/97/638462897.db2.gz AVBVLELYCSMWAJ-UHFFFAOYSA-N 1 2 230.283 0.327 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000907857182 638489588 /nfs/dbraw/zinc/48/95/88/638489588.db2.gz IFEUOYOCYYMHFU-SECBINFHSA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(CCO)CC(F)F ZINC000907890071 638501041 /nfs/dbraw/zinc/50/10/41/638501041.db2.gz OVCUGDNIKKIUKU-UHFFFAOYSA-N 1 2 233.218 0.038 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907873715 638505116 /nfs/dbraw/zinc/50/51/16/638505116.db2.gz GNOGDOVITBPQJT-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC1(C)SC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908063014 638563737 /nfs/dbraw/zinc/56/37/37/638563737.db2.gz FATNLJUGZQGPIV-MRVPVSSYSA-N 1 2 225.317 0.962 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)C1(CO)CC1 ZINC000908157288 638574505 /nfs/dbraw/zinc/57/45/05/638574505.db2.gz XRRHVDXFFTUFFT-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO COCCC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908248246 638624618 /nfs/dbraw/zinc/62/46/18/638624618.db2.gz KZRVGNZHTBXMDA-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO CCc1nc[nH]c1C(=O)NCc1c[nH+]cn1C ZINC000908257652 638624997 /nfs/dbraw/zinc/62/49/97/638624997.db2.gz DRSQAMTVQGVAQN-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]cn2C)n1C ZINC000908257664 638625116 /nfs/dbraw/zinc/62/51/16/638625116.db2.gz DWWGMHFBMULVRN-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000908260427 638626332 /nfs/dbraw/zinc/62/63/32/638626332.db2.gz KNNLNXPINXYOTE-QRGHLMKCSA-N 1 2 237.303 0.754 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908287470 638634017 /nfs/dbraw/zinc/63/40/17/638634017.db2.gz KUCCHQKDRWEJSH-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](n2cccn2)C1 ZINC000908322441 638647515 /nfs/dbraw/zinc/64/75/15/638647515.db2.gz IEPVPGUPASQDRU-NSHDSACASA-N 1 2 245.286 0.622 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)C1CCCC1 ZINC000908301521 638650512 /nfs/dbraw/zinc/65/05/12/638650512.db2.gz STTMPGDTBGAEHY-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2ncn(C)n2)c[nH+]1 ZINC000908377981 638675894 /nfs/dbraw/zinc/67/58/94/638675894.db2.gz SHUZWHFKYGTQQU-UHFFFAOYSA-N 1 2 248.290 0.694 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000908383050 638677737 /nfs/dbraw/zinc/67/77/37/638677737.db2.gz FAJFXBYSHZAQDZ-NXEZZACHSA-N 1 2 235.287 0.951 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000908383050 638677741 /nfs/dbraw/zinc/67/77/41/638677741.db2.gz FAJFXBYSHZAQDZ-NXEZZACHSA-N 1 2 235.287 0.951 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(=O)C1 ZINC000908465295 638726836 /nfs/dbraw/zinc/72/68/36/638726836.db2.gz GDTUVRVVXKMECM-SSDOTTSWSA-N 1 2 221.260 0.436 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(=O)C1 ZINC000908465295 638726840 /nfs/dbraw/zinc/72/68/40/638726840.db2.gz GDTUVRVVXKMECM-SSDOTTSWSA-N 1 2 221.260 0.436 20 0 BCADLO C[C@H](CC(=O)NC1CC(=O)C1)n1cc[nH+]c1 ZINC000908465824 638727970 /nfs/dbraw/zinc/72/79/70/638727970.db2.gz PCGMFENGXYVAEB-MRVPVSSYSA-N 1 2 221.260 0.682 20 0 BCADLO CN(CC(C)(C)CO)C(=O)Cc1c[nH+]c[nH]1 ZINC000908553917 639011464 /nfs/dbraw/zinc/01/14/64/639011464.db2.gz QWLRLAFHOCKKIZ-UHFFFAOYSA-N 1 2 225.292 0.429 20 0 BCADLO Cc1nc(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000908757536 639061798 /nfs/dbraw/zinc/06/17/98/639061798.db2.gz BRRYSQHABFBJHV-VIFPVBQESA-N 1 2 245.286 0.578 20 0 BCADLO CCc1nc[nH]c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758577 639062821 /nfs/dbraw/zinc/06/28/21/639062821.db2.gz NVTSHGOGAUNVJN-MRVPVSSYSA-N 1 2 245.286 0.523 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1C ZINC000908759353 639063217 /nfs/dbraw/zinc/06/32/17/639063217.db2.gz FODYKGGOKBFSTI-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO C[C@H](CC(=O)Nn1ccnn1)n1cc[nH+]c1 ZINC000908823622 639068792 /nfs/dbraw/zinc/06/87/92/639068792.db2.gz SLKQCUIEKMIOLD-MRVPVSSYSA-N 1 2 220.236 0.196 20 0 BCADLO CC(C)C[C@H](C(=O)Nn1ccnn1)n1cc[nH+]c1 ZINC000908827998 639072610 /nfs/dbraw/zinc/07/26/10/639072610.db2.gz UXAOKGBCZHLJHV-SNVBAGLBSA-N 1 2 248.290 0.832 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000908963369 639105808 /nfs/dbraw/zinc/10/58/08/639105808.db2.gz WRBDPBFGMITFCM-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@@H](NC(=O)CNc1cccc[nH+]1)[C@@H](C)O ZINC000909024961 639127377 /nfs/dbraw/zinc/12/73/77/639127377.db2.gz JBDDGJPXIKMJMV-NXEZZACHSA-N 1 2 237.303 0.769 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cn1ccsc1=O ZINC000746612458 639231599 /nfs/dbraw/zinc/23/15/99/639231599.db2.gz AVXLVHRYUOPXQQ-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cn1ccsc1=O ZINC000746612458 639231602 /nfs/dbraw/zinc/23/16/02/639231602.db2.gz AVXLVHRYUOPXQQ-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909857602 639233584 /nfs/dbraw/zinc/23/35/84/639233584.db2.gz WWMBRTHXBVEFPH-MWLCHTKSSA-N 1 2 239.319 0.486 20 0 BCADLO CCC[C@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000909873991 639245382 /nfs/dbraw/zinc/24/53/82/639245382.db2.gz ONOBBYKXTNZJGW-VIFPVBQESA-N 1 2 212.249 0.587 20 0 BCADLO O=C(N1CC=CC1)C1([NH+]2CCOCC2)CCC1 ZINC000910010580 639326844 /nfs/dbraw/zinc/32/68/44/639326844.db2.gz GMIZXFYZDKYPDC-UHFFFAOYSA-N 1 2 236.315 0.640 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000910037667 639344723 /nfs/dbraw/zinc/34/47/23/639344723.db2.gz HOAOPYXQIXOFCV-SECBINFHSA-N 1 2 222.244 0.744 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](CF)C1 ZINC000910401679 639429983 /nfs/dbraw/zinc/42/99/83/639429983.db2.gz AZLCRYCZJLALGY-SECBINFHSA-N 1 2 227.239 0.149 20 0 BCADLO CCn1cccc(NC(=O)Cc2c[nH+]c[nH]2)c1=O ZINC000910414046 639439984 /nfs/dbraw/zinc/43/99/84/639439984.db2.gz YRMHRWJRMOZMHN-UHFFFAOYSA-N 1 2 246.270 0.773 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](O)C(C)C ZINC000910453959 639456674 /nfs/dbraw/zinc/45/66/74/639456674.db2.gz QNXKKYMFTDKXDG-ZYHUDNBSSA-N 1 2 239.319 0.864 20 0 BCADLO CC(C)C1(C(=O)NCCn2cc[nH+]c2)COC1 ZINC000930220674 639640221 /nfs/dbraw/zinc/64/02/21/639640221.db2.gz CWCRWPVENDJUGA-UHFFFAOYSA-N 1 2 237.303 0.672 20 0 BCADLO CC[C@@H](C)C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911539907 639668413 /nfs/dbraw/zinc/66/84/13/639668413.db2.gz FEEZYNPMAVVOLY-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H]1SCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911603883 639673149 /nfs/dbraw/zinc/67/31/49/639673149.db2.gz CFIZZDANUPHFBU-VXNVDRBHSA-N 1 2 225.317 0.962 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCc1nnc(C)o1 ZINC000930288408 639680990 /nfs/dbraw/zinc/68/09/90/639680990.db2.gz VXZLHTREZAVORN-SSDOTTSWSA-N 1 2 227.264 0.414 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1nnc(C)o1 ZINC000930288408 639680996 /nfs/dbraw/zinc/68/09/96/639680996.db2.gz VXZLHTREZAVORN-SSDOTTSWSA-N 1 2 227.264 0.414 20 0 BCADLO CC(C)OCc1noc(C[N@H+](C)CCCO)n1 ZINC000930325051 639704343 /nfs/dbraw/zinc/70/43/43/639704343.db2.gz JQYLUZDUGXBDBS-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO CC(C)OCc1noc(C[N@@H+](C)CCCO)n1 ZINC000930325051 639704347 /nfs/dbraw/zinc/70/43/47/639704347.db2.gz JQYLUZDUGXBDBS-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO C[C@@H](c1ncccn1)[N@H+](C)CCOCCO ZINC000930340195 639717110 /nfs/dbraw/zinc/71/71/10/639717110.db2.gz GTZLZLAIBAXLNL-JTQLQIEISA-N 1 2 225.292 0.478 20 0 BCADLO C[C@@H](c1ncccn1)[N@@H+](C)CCOCCO ZINC000930340195 639717116 /nfs/dbraw/zinc/71/71/16/639717116.db2.gz GTZLZLAIBAXLNL-JTQLQIEISA-N 1 2 225.292 0.478 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)nn1 ZINC000930353559 639725888 /nfs/dbraw/zinc/72/58/88/639725888.db2.gz RUYNSFWSLKGVFT-BETUJISGSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)nn1 ZINC000930353559 639725899 /nfs/dbraw/zinc/72/58/99/639725899.db2.gz RUYNSFWSLKGVFT-BETUJISGSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1CCOC1CC1 ZINC000930490452 639783053 /nfs/dbraw/zinc/78/30/53/639783053.db2.gz SGEOLOJLEKREKO-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1CCOC1CC1 ZINC000930490452 639783060 /nfs/dbraw/zinc/78/30/60/639783060.db2.gz SGEOLOJLEKREKO-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCN(C=O)CC2)o1 ZINC000930537071 639803069 /nfs/dbraw/zinc/80/30/69/639803069.db2.gz YHYMGIQWFJDLLT-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CCc1ncc(C[N@H+]2CCCN(C=O)CC2)o1 ZINC000930537071 639803073 /nfs/dbraw/zinc/80/30/73/639803073.db2.gz YHYMGIQWFJDLLT-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nncs1)C(C)C ZINC000930567303 639812166 /nfs/dbraw/zinc/81/21/66/639812166.db2.gz DPVNTAGNCFASEA-VIFPVBQESA-N 1 2 242.348 0.788 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000930615536 639823906 /nfs/dbraw/zinc/82/39/06/639823906.db2.gz QYQGLBYRDMRLIO-NSHDSACASA-N 1 2 235.287 0.676 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000930615536 639823909 /nfs/dbraw/zinc/82/39/09/639823909.db2.gz QYQGLBYRDMRLIO-NSHDSACASA-N 1 2 235.287 0.676 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000930642353 639839957 /nfs/dbraw/zinc/83/99/57/639839957.db2.gz YCVGVVDORQSNMZ-LPEHRKFASA-N 1 2 240.303 0.006 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000930642353 639839959 /nfs/dbraw/zinc/83/99/59/639839959.db2.gz YCVGVVDORQSNMZ-LPEHRKFASA-N 1 2 240.303 0.006 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000911888663 639870578 /nfs/dbraw/zinc/87/05/78/639870578.db2.gz UZESRNAIHFWDSB-ONGXEEELSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1c(F)cncc1F ZINC000930704258 639871867 /nfs/dbraw/zinc/87/18/67/639871867.db2.gz LWFLWZNUODOGBA-WDEREUQCSA-N 1 2 244.241 0.863 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000911919113 639878333 /nfs/dbraw/zinc/87/83/33/639878333.db2.gz RZSLHJIAZHHXMR-SNVBAGLBSA-N 1 2 237.303 0.723 20 0 BCADLO NS(=O)(=O)C1C[NH+](CCCC2CCCC2)C1 ZINC000930731097 639881632 /nfs/dbraw/zinc/88/16/32/639881632.db2.gz WXXJOQOEKFVNQV-UHFFFAOYSA-N 1 2 246.376 0.930 20 0 BCADLO CC/C=C/CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930733984 639884325 /nfs/dbraw/zinc/88/43/25/639884325.db2.gz LQNXRXRWDCYLTH-ONEGZZNKSA-N 1 2 218.322 0.315 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930737937 639886623 /nfs/dbraw/zinc/88/66/23/639886623.db2.gz LAFQXTYHNCTPKZ-UWVGGRQHSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930737937 639886627 /nfs/dbraw/zinc/88/66/27/639886627.db2.gz LAFQXTYHNCTPKZ-UWVGGRQHSA-N 1 2 201.266 0.047 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1c(F)cncc1F ZINC000930817744 639918088 /nfs/dbraw/zinc/91/80/88/639918088.db2.gz LWFLWZNUODOGBA-GHMZBOCLSA-N 1 2 244.241 0.863 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000930820314 639922868 /nfs/dbraw/zinc/92/28/68/639922868.db2.gz RGUHODVTQAHEIS-ONGXEEELSA-N 1 2 244.335 0.642 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000930820314 639922870 /nfs/dbraw/zinc/92/28/70/639922870.db2.gz RGUHODVTQAHEIS-ONGXEEELSA-N 1 2 244.335 0.642 20 0 BCADLO CC1(C)C[C@@](C)([NH2+]C[C@@H](O)C2CC2)C(=O)O1 ZINC000930871282 639961600 /nfs/dbraw/zinc/96/16/00/639961600.db2.gz AHBCETSMMCHTJV-BXKDBHETSA-N 1 2 227.304 0.831 20 0 BCADLO C[C@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930871328 639962863 /nfs/dbraw/zinc/96/28/63/639962863.db2.gz AMMNVCQUGOFFFS-OIBJUYFYSA-N 1 2 201.266 0.441 20 0 BCADLO C[C@H](O)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930871025 639963093 /nfs/dbraw/zinc/96/30/93/639963093.db2.gz MIPCAWHOVDOMMX-GZMMTYOYSA-N 1 2 215.293 0.831 20 0 BCADLO CC1(C)C[C@@](C)(NCCn2cc[nH+]c2)C(=O)O1 ZINC000930874737 639964202 /nfs/dbraw/zinc/96/42/02/639964202.db2.gz HNZZGYMIYMUBDL-GFCCVEGCSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)C(N)=O ZINC000035794666 639964727 /nfs/dbraw/zinc/96/47/27/639964727.db2.gz ZXLUKISJIGJKAP-RXMQYKEDSA-N 1 2 216.672 0.037 20 0 BCADLO C[C@@H](CO)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930878633 639967307 /nfs/dbraw/zinc/96/73/07/639967307.db2.gz ZWTYWQBXEASJAA-KCJUWKMLSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@H]1CCCCN1NC(=O)Cn1cc[nH+]c1 ZINC000912142922 639968384 /nfs/dbraw/zinc/96/83/84/639968384.db2.gz WTNRFJAFRWGLDE-JTQLQIEISA-N 1 2 222.292 0.789 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(=O)C[C@H]1C1CC1 ZINC000912185539 639989271 /nfs/dbraw/zinc/98/92/71/639989271.db2.gz OFWYEAPTINDRIN-LBPRGKRZSA-N 1 2 247.298 0.922 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930915610 639989132 /nfs/dbraw/zinc/98/91/32/639989132.db2.gz KCBUWQPPQSPUSD-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930915610 639989143 /nfs/dbraw/zinc/98/91/43/639989143.db2.gz KCBUWQPPQSPUSD-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930915610 639989150 /nfs/dbraw/zinc/98/91/50/639989150.db2.gz KCBUWQPPQSPUSD-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930915610 639989157 /nfs/dbraw/zinc/98/91/57/639989157.db2.gz KCBUWQPPQSPUSD-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO CCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000930926930 639992421 /nfs/dbraw/zinc/99/24/21/639992421.db2.gz XOVARUJQJPKTGK-UHFFFAOYSA-N 1 2 249.318 0.218 20 0 BCADLO C[NH2+]C1CC(C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000912248002 640011228 /nfs/dbraw/zinc/01/12/28/640011228.db2.gz AGXZDUPKGDEMOO-UHFFFAOYSA-N 1 2 245.286 0.894 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCO[C@@H](OC)C1 ZINC000931035604 640028249 /nfs/dbraw/zinc/02/82/49/640028249.db2.gz QKWLEFFBAQXMLW-LLMHMKPQSA-N 1 2 215.293 0.884 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCO[C@@H](OC)C1 ZINC000931035604 640028252 /nfs/dbraw/zinc/02/82/52/640028252.db2.gz QKWLEFFBAQXMLW-LLMHMKPQSA-N 1 2 215.293 0.884 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@H](OC)C1 ZINC000931035097 640029286 /nfs/dbraw/zinc/02/92/86/640029286.db2.gz FDTNSUSJSVRBLO-NSHDSACASA-N 1 2 233.308 0.344 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@H](OC)C1 ZINC000931035097 640029289 /nfs/dbraw/zinc/02/92/89/640029289.db2.gz FDTNSUSJSVRBLO-NSHDSACASA-N 1 2 233.308 0.344 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1COC2(CCC2)C1 ZINC000912460107 640068685 /nfs/dbraw/zinc/06/86/85/640068685.db2.gz ZATRTINZLAVZAH-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136087 640073279 /nfs/dbraw/zinc/07/32/79/640073279.db2.gz KZZLWXOBZVGLMS-VIFPVBQESA-N 1 2 237.307 0.420 20 0 BCADLO CN(C)C(=O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136087 640073286 /nfs/dbraw/zinc/07/32/86/640073286.db2.gz KZZLWXOBZVGLMS-VIFPVBQESA-N 1 2 237.307 0.420 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135740 640073467 /nfs/dbraw/zinc/07/34/67/640073467.db2.gz JCONEDRSKKZMCM-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135740 640073474 /nfs/dbraw/zinc/07/34/74/640073474.db2.gz JCONEDRSKKZMCM-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000931180486 640093931 /nfs/dbraw/zinc/09/39/31/640093931.db2.gz SVOYOGORWKEMHG-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000931180486 640093940 /nfs/dbraw/zinc/09/39/40/640093940.db2.gz SVOYOGORWKEMHG-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235710 640107551 /nfs/dbraw/zinc/10/75/51/640107551.db2.gz GAQVUERDFQFQMX-PSASIEDQSA-N 1 2 233.333 0.283 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235710 640107559 /nfs/dbraw/zinc/10/75/59/640107559.db2.gz GAQVUERDFQFQMX-PSASIEDQSA-N 1 2 233.333 0.283 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584581 640121118 /nfs/dbraw/zinc/12/11/18/640121118.db2.gz PZJSAEDZTVVYBJ-QXEWZRGKSA-N 1 2 237.303 0.851 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584584 640121902 /nfs/dbraw/zinc/12/19/02/640121902.db2.gz PZJSAEDZTVVYBJ-YWVKMMECSA-N 1 2 237.303 0.851 20 0 BCADLO CN(C(=O)C[N@H+](C)CC(C)(C)C)c1nn[nH]n1 ZINC000912616372 640127180 /nfs/dbraw/zinc/12/71/80/640127180.db2.gz DOLRJPUJOYRTAW-UHFFFAOYSA-N 1 2 240.311 0.140 20 0 BCADLO CC(=O)CC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000156078192 640129368 /nfs/dbraw/zinc/12/93/68/640129368.db2.gz VOSPCDRAXLHAKQ-VIFPVBQESA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)CC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000156078192 640129374 /nfs/dbraw/zinc/12/93/74/640129374.db2.gz VOSPCDRAXLHAKQ-VIFPVBQESA-N 1 2 247.360 0.863 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)/C=C\C1CC1 ZINC000912613396 640136000 /nfs/dbraw/zinc/13/60/00/640136000.db2.gz BDCKXLHYUSDQSD-LWTINBJPSA-N 1 2 235.287 0.536 20 0 BCADLO CCC/C=C\C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912612368 640137195 /nfs/dbraw/zinc/13/71/95/640137195.db2.gz LTNUGEYUAXDKAN-WWQCOOJYSA-N 1 2 237.303 0.926 20 0 BCADLO CC(C)(CNC(=O)Cc1ccon1)n1cc[nH+]c1 ZINC000912615874 640140719 /nfs/dbraw/zinc/14/07/19/640140719.db2.gz UABWFYODWLRZPA-UHFFFAOYSA-N 1 2 248.286 0.965 20 0 BCADLO C[C@@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615650 640140990 /nfs/dbraw/zinc/14/09/90/640140990.db2.gz OLXAIBGGDDWDKH-MRVPVSSYSA-N 1 2 211.265 0.115 20 0 BCADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)n1cccn1 ZINC000912625773 640142163 /nfs/dbraw/zinc/14/21/63/640142163.db2.gz NLQNBIBZTVAJPO-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO COC(=O)CC[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931321798 640154075 /nfs/dbraw/zinc/15/40/75/640154075.db2.gz VYYBPBQJWWYDSM-UHFFFAOYSA-N 1 2 237.259 0.369 20 0 BCADLO COC(=O)CC[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931321798 640154081 /nfs/dbraw/zinc/15/40/81/640154081.db2.gz VYYBPBQJWWYDSM-UHFFFAOYSA-N 1 2 237.259 0.369 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1SCCS1 ZINC000912702091 640171291 /nfs/dbraw/zinc/17/12/91/640171291.db2.gz XLQAVQZSDBJMLY-UHFFFAOYSA-N 1 2 243.357 0.875 20 0 BCADLO Cc1ncsc1C[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931400222 640180166 /nfs/dbraw/zinc/18/01/66/640180166.db2.gz VFFNIGGNLASOQC-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931400222 640180172 /nfs/dbraw/zinc/18/01/72/640180172.db2.gz VFFNIGGNLASOQC-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncsc1C[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931400217 640180790 /nfs/dbraw/zinc/18/07/90/640180790.db2.gz VFFNIGGNLASOQC-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931400217 640180793 /nfs/dbraw/zinc/18/07/93/640180793.db2.gz VFFNIGGNLASOQC-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2c[nH]nc2C)C1=O ZINC000931415031 640185203 /nfs/dbraw/zinc/18/52/03/640185203.db2.gz IZCIUYIXLCPEOB-JTQLQIEISA-N 1 2 238.291 0.312 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2c[nH]nc2C)C1=O ZINC000931415031 640185206 /nfs/dbraw/zinc/18/52/06/640185206.db2.gz IZCIUYIXLCPEOB-JTQLQIEISA-N 1 2 238.291 0.312 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931409042 640186057 /nfs/dbraw/zinc/18/60/57/640186057.db2.gz ICZWVZWYSNGWAS-AAEUAGOBSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931409042 640186059 /nfs/dbraw/zinc/18/60/59/640186059.db2.gz ICZWVZWYSNGWAS-AAEUAGOBSA-N 1 2 235.331 0.751 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2c[nH]nc2C)C1=O ZINC000931415034 640186384 /nfs/dbraw/zinc/18/63/84/640186384.db2.gz IZCIUYIXLCPEOB-SNVBAGLBSA-N 1 2 238.291 0.312 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2C)C1=O ZINC000931415034 640186391 /nfs/dbraw/zinc/18/63/91/640186391.db2.gz IZCIUYIXLCPEOB-SNVBAGLBSA-N 1 2 238.291 0.312 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739704 640189520 /nfs/dbraw/zinc/18/95/20/640189520.db2.gz FMCBFAHOWUZVSF-NXEZZACHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739704 640189523 /nfs/dbraw/zinc/18/95/23/640189523.db2.gz FMCBFAHOWUZVSF-NXEZZACHSA-N 1 2 232.299 0.115 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452124 640212668 /nfs/dbraw/zinc/21/26/68/640212668.db2.gz IKXSXQXHQLBZPF-RNFRBKRXSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452124 640212675 /nfs/dbraw/zinc/21/26/75/640212675.db2.gz IKXSXQXHQLBZPF-RNFRBKRXSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452125 640213670 /nfs/dbraw/zinc/21/36/70/640213670.db2.gz IKXSXQXHQLBZPF-RQJHMYQMSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452125 640213673 /nfs/dbraw/zinc/21/36/73/640213673.db2.gz IKXSXQXHQLBZPF-RQJHMYQMSA-N 1 2 208.265 0.203 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457433 640214777 /nfs/dbraw/zinc/21/47/77/640214777.db2.gz JNLJZWHKGRSERJ-VXNVDRBHSA-N 1 2 220.276 0.217 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457433 640214783 /nfs/dbraw/zinc/21/47/83/640214783.db2.gz JNLJZWHKGRSERJ-VXNVDRBHSA-N 1 2 220.276 0.217 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)Cc2c[nH]nc21 ZINC000931454761 640214795 /nfs/dbraw/zinc/21/47/95/640214795.db2.gz FHWLXGLGSGHPAC-VIFPVBQESA-N 1 2 234.303 0.561 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)Cc2c[nH]nc21 ZINC000931454761 640214803 /nfs/dbraw/zinc/21/48/03/640214803.db2.gz FHWLXGLGSGHPAC-VIFPVBQESA-N 1 2 234.303 0.561 20 0 BCADLO CC(C)CC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913004149 640273611 /nfs/dbraw/zinc/27/36/11/640273611.db2.gz XTOMERCGZJFNFT-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)C1=CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912994460 640275829 /nfs/dbraw/zinc/27/58/29/640275829.db2.gz PKOLFROUPKZKTO-VIFPVBQESA-N 1 2 249.270 0.330 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccnc(CO)c1 ZINC000913028154 640280248 /nfs/dbraw/zinc/28/02/48/640280248.db2.gz CSBFMASNMBAYPU-UHFFFAOYSA-N 1 2 246.270 0.787 20 0 BCADLO Cc1conc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652182 640304007 /nfs/dbraw/zinc/30/40/07/640304007.db2.gz NJHDUUFEUBJMNH-VIFPVBQESA-N 1 2 223.276 0.597 20 0 BCADLO COc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)on1 ZINC000931654820 640304732 /nfs/dbraw/zinc/30/47/32/640304732.db2.gz GWNHFNNBWKUGBA-VIFPVBQESA-N 1 2 239.275 0.297 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nncs1 ZINC000931699142 640321892 /nfs/dbraw/zinc/32/18/92/640321892.db2.gz UMLARVZPNYHTGZ-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nncs1 ZINC000931699142 640321900 /nfs/dbraw/zinc/32/19/00/640321900.db2.gz UMLARVZPNYHTGZ-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1[nH]nc2c1COCC2 ZINC000931699805 640323302 /nfs/dbraw/zinc/32/33/02/640323302.db2.gz HRIMGGIYIAXBRK-VIFPVBQESA-N 1 2 235.287 0.215 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1[nH]nc2c1COCC2 ZINC000931699805 640323304 /nfs/dbraw/zinc/32/33/04/640323304.db2.gz HRIMGGIYIAXBRK-VIFPVBQESA-N 1 2 235.287 0.215 20 0 BCADLO O=[S@@](CC[N@H+]1CC=C[C@H]1CO)C(F)(F)F ZINC000931702075 640324249 /nfs/dbraw/zinc/32/42/49/640324249.db2.gz AWIOXTUDYPGTIN-ZIDLFYJRSA-N 1 2 243.250 0.488 20 0 BCADLO O=[S@@](CC[N@@H+]1CC=C[C@H]1CO)C(F)(F)F ZINC000931702075 640324252 /nfs/dbraw/zinc/32/42/52/640324252.db2.gz AWIOXTUDYPGTIN-ZIDLFYJRSA-N 1 2 243.250 0.488 20 0 BCADLO O=[S@@](CC[N@H+]1CC=C[C@@H]1CO)C(F)(F)F ZINC000931702073 640325033 /nfs/dbraw/zinc/32/50/33/640325033.db2.gz AWIOXTUDYPGTIN-MLXNANBUSA-N 1 2 243.250 0.488 20 0 BCADLO O=[S@@](CC[N@@H+]1CC=C[C@@H]1CO)C(F)(F)F ZINC000931702073 640325037 /nfs/dbraw/zinc/32/50/37/640325037.db2.gz AWIOXTUDYPGTIN-MLXNANBUSA-N 1 2 243.250 0.488 20 0 BCADLO c1ncc2c(n1)CC[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000931710045 640330584 /nfs/dbraw/zinc/33/05/84/640330584.db2.gz VUTPPDOFTPEMAZ-GFCCVEGCSA-N 1 2 249.314 0.640 20 0 BCADLO c1ncc2c(n1)CC[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000931710045 640330588 /nfs/dbraw/zinc/33/05/88/640330588.db2.gz VUTPPDOFTPEMAZ-GFCCVEGCSA-N 1 2 249.314 0.640 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913431901 640369710 /nfs/dbraw/zinc/36/97/10/640369710.db2.gz HYJHYFWYKKCJQC-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO CC(F)(F)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452657 640372903 /nfs/dbraw/zinc/37/29/03/640372903.db2.gz DYWMGIWJQPJYEL-QMMMGPOBSA-N 1 2 244.245 0.538 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547367 640387137 /nfs/dbraw/zinc/38/71/37/640387137.db2.gz MOMRTIGQAOVLEF-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547367 640387141 /nfs/dbraw/zinc/38/71/41/640387141.db2.gz MOMRTIGQAOVLEF-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(F)F ZINC000913534410 640388945 /nfs/dbraw/zinc/38/89/45/640388945.db2.gz ZLTAZGRQEWFOAN-OCAPTIKFSA-N 1 2 218.247 0.947 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(F)F ZINC000913534410 640388951 /nfs/dbraw/zinc/38/89/51/640388951.db2.gz ZLTAZGRQEWFOAN-OCAPTIKFSA-N 1 2 218.247 0.947 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913543879 640392562 /nfs/dbraw/zinc/39/25/62/640392562.db2.gz RWYYIMUAGKIYAL-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913543879 640392571 /nfs/dbraw/zinc/39/25/71/640392571.db2.gz RWYYIMUAGKIYAL-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545285 640397812 /nfs/dbraw/zinc/39/78/12/640397812.db2.gz ZKZGFLUYQCNVAA-GRYCIOLGSA-N 1 2 240.347 0.413 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545285 640397815 /nfs/dbraw/zinc/39/78/15/640397815.db2.gz ZKZGFLUYQCNVAA-GRYCIOLGSA-N 1 2 240.347 0.413 20 0 BCADLO O=C1NCCCC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000054764428 640404670 /nfs/dbraw/zinc/40/46/70/640404670.db2.gz BSVXZIYJQSPBFW-VIFPVBQESA-N 1 2 208.265 0.168 20 0 BCADLO COC(=O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932142192 640439460 /nfs/dbraw/zinc/43/94/60/640439460.db2.gz NIWPYIKJAWAZBQ-UHFFFAOYSA-N 1 2 237.303 0.773 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000156365799 640441153 /nfs/dbraw/zinc/44/11/53/640441153.db2.gz CUAPHDPUHAWAON-NXEZZACHSA-N 1 2 217.309 0.935 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@@H+]1CC(N)=O ZINC000932273929 640469030 /nfs/dbraw/zinc/46/90/30/640469030.db2.gz XPMIKELREGSTPN-SECBINFHSA-N 1 2 208.265 0.042 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@H+]1CC(N)=O ZINC000932273929 640469032 /nfs/dbraw/zinc/46/90/32/640469032.db2.gz XPMIKELREGSTPN-SECBINFHSA-N 1 2 208.265 0.042 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@@H+]1CC(N)=O ZINC000932273933 640469586 /nfs/dbraw/zinc/46/95/86/640469586.db2.gz XPMIKELREGSTPN-VIFPVBQESA-N 1 2 208.265 0.042 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@H+]1CC(N)=O ZINC000932273933 640469592 /nfs/dbraw/zinc/46/95/92/640469592.db2.gz XPMIKELREGSTPN-VIFPVBQESA-N 1 2 208.265 0.042 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)CC2)nn1 ZINC000932337489 640482164 /nfs/dbraw/zinc/48/21/64/640482164.db2.gz QWBAGEJXOQUBRJ-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@@H](C)CC2)nn1 ZINC000932337489 640482166 /nfs/dbraw/zinc/48/21/66/640482166.db2.gz QWBAGEJXOQUBRJ-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn(C)nn2)CCO1 ZINC000932346175 640485861 /nfs/dbraw/zinc/48/58/61/640485861.db2.gz GTIIOMLFQUPWFM-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn(C)nn2)CCO1 ZINC000932346175 640485870 /nfs/dbraw/zinc/48/58/70/640485870.db2.gz GTIIOMLFQUPWFM-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932344360 640488674 /nfs/dbraw/zinc/48/86/74/640488674.db2.gz WGXIKXYZEBFTRO-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCO[C@H](C)CC1 ZINC000932344360 640488680 /nfs/dbraw/zinc/48/86/80/640488680.db2.gz WGXIKXYZEBFTRO-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO COCCOC[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000164809787 640506405 /nfs/dbraw/zinc/50/64/05/640506405.db2.gz FVCGIDDBRFMTMD-SECBINFHSA-N 1 2 213.281 0.551 20 0 BCADLO O=C(NC1C[NH+](CC[C@H]2CCCO2)C1)C(F)F ZINC001030036823 640528345 /nfs/dbraw/zinc/52/83/45/640528345.db2.gz BBMPGUWRJXLHGV-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO CCCC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001030038786 640528396 /nfs/dbraw/zinc/52/83/96/640528396.db2.gz WQHRSPWSHPQFSL-UHFFFAOYSA-N 1 2 206.236 0.852 20 0 BCADLO C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3CC3)C2)O1 ZINC001030040473 640532986 /nfs/dbraw/zinc/53/29/86/640532986.db2.gz SVRSXVIJVCHCHL-CABZTGNLSA-N 1 2 238.331 0.764 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CC2)C1 ZINC001030040959 640534678 /nfs/dbraw/zinc/53/46/78/640534678.db2.gz HWQRNPQNVZDHQH-QMMMGPOBSA-N 1 2 212.293 0.232 20 0 BCADLO CCC(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001030042074 640536506 /nfs/dbraw/zinc/53/65/06/640536506.db2.gz XKARFONASIWDHO-UHFFFAOYSA-N 1 2 249.314 0.096 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030043625 640537610 /nfs/dbraw/zinc/53/76/10/640537610.db2.gz PEQGNWJMCPWZHX-VIFPVBQESA-N 1 2 226.320 0.622 20 0 BCADLO COCc1noc(C[NH2+][C@H]2COC[C@H]2C)n1 ZINC000932487206 640539715 /nfs/dbraw/zinc/53/97/15/640539715.db2.gz IELXDWUKWXNBSM-SFYZADRCSA-N 1 2 227.264 0.341 20 0 BCADLO COCc1noc(C[NH2+][C@H]2COC[C@@H]2C)n1 ZINC000932487209 640541289 /nfs/dbraw/zinc/54/12/89/640541289.db2.gz IELXDWUKWXNBSM-YUMQZZPRSA-N 1 2 227.264 0.341 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030058769 640555513 /nfs/dbraw/zinc/55/55/13/640555513.db2.gz KPUZYDXWJVLRJK-UHFFFAOYSA-N 1 2 234.299 0.747 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030075743 640579377 /nfs/dbraw/zinc/57/93/77/640579377.db2.gz VCXATHYDEDSUTC-WCBMZHEXSA-N 1 2 214.284 0.802 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030064750 640565549 /nfs/dbraw/zinc/56/55/49/640565549.db2.gz YLIHMAOXAHJJHB-JTQLQIEISA-N 1 2 234.299 0.481 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCn3cccc3C2)C1=O ZINC000932528744 640570819 /nfs/dbraw/zinc/57/08/19/640570819.db2.gz OSEORRSIHVVJDK-LBPRGKRZSA-N 1 2 233.315 0.925 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCn3cccc3C2)C1=O ZINC000932528744 640570820 /nfs/dbraw/zinc/57/08/20/640570820.db2.gz OSEORRSIHVVJDK-LBPRGKRZSA-N 1 2 233.315 0.925 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030069445 640578718 /nfs/dbraw/zinc/57/87/18/640578718.db2.gz IBWLCRKVHBNLMR-SKDRFNHKSA-N 1 2 248.330 0.377 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030093575 640588018 /nfs/dbraw/zinc/58/80/18/640588018.db2.gz UTSNRACTPUTLCF-UHFFFAOYSA-N 1 2 248.330 0.800 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000932640901 640595252 /nfs/dbraw/zinc/59/52/52/640595252.db2.gz DEGCQOWUQIASCK-MRVPVSSYSA-N 1 2 241.316 0.923 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000932640901 640595257 /nfs/dbraw/zinc/59/52/57/640595257.db2.gz DEGCQOWUQIASCK-MRVPVSSYSA-N 1 2 241.316 0.923 20 0 BCADLO COCC[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030108446 640597159 /nfs/dbraw/zinc/59/71/59/640597159.db2.gz GWBNBNHENVJGLB-UHFFFAOYSA-N 1 2 200.282 0.089 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030114542 640603414 /nfs/dbraw/zinc/60/34/14/640603414.db2.gz KZJAAHVUACYYEV-SECBINFHSA-N 1 2 214.309 0.478 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030159874 640643035 /nfs/dbraw/zinc/64/30/35/640643035.db2.gz VESOMEJUFQKAFO-MRVPVSSYSA-N 1 2 239.275 0.124 20 0 BCADLO NC(=O)C12CCC(CC1)[N@H+]2Cc1ccno1 ZINC000932933454 640646678 /nfs/dbraw/zinc/64/66/78/640646678.db2.gz YFHNMNMOJNEGDE-UHFFFAOYSA-N 1 2 221.260 0.657 20 0 BCADLO NC(=O)C12CCC(CC1)[N@@H+]2Cc1ccno1 ZINC000932933454 640646672 /nfs/dbraw/zinc/64/66/72/640646672.db2.gz YFHNMNMOJNEGDE-UHFFFAOYSA-N 1 2 221.260 0.657 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nnc(C)o2)C1 ZINC000932971845 640652825 /nfs/dbraw/zinc/65/28/25/640652825.db2.gz ABVRGZUKMGMUIV-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C)o2)C1 ZINC000932971845 640652829 /nfs/dbraw/zinc/65/28/29/640652829.db2.gz ABVRGZUKMGMUIV-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000932969594 640656181 /nfs/dbraw/zinc/65/61/81/640656181.db2.gz MDALPLWKLZNWTP-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000932969594 640656184 /nfs/dbraw/zinc/65/61/84/640656184.db2.gz MDALPLWKLZNWTP-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001030175723 640661223 /nfs/dbraw/zinc/66/12/23/640661223.db2.gz DFUDHZOEJDZRKS-UHFFFAOYSA-N 1 2 248.330 0.719 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030176125 640661399 /nfs/dbraw/zinc/66/13/99/640661399.db2.gz ZIBKCVOVGLRFRB-JTQLQIEISA-N 1 2 238.331 0.788 20 0 BCADLO Cc1ccncc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030177859 640664081 /nfs/dbraw/zinc/66/40/81/640664081.db2.gz WUCHQNHZQSKHGJ-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030194738 640671293 /nfs/dbraw/zinc/67/12/93/640671293.db2.gz OXYARUGVVDLRPF-RKDXNWHRSA-N 1 2 226.320 0.214 20 0 BCADLO Cc1[nH]ccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030203902 640679738 /nfs/dbraw/zinc/67/97/38/640679738.db2.gz TVKFWVFAFNYCGO-MRVPVSSYSA-N 1 2 237.303 0.118 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933211589 640680225 /nfs/dbraw/zinc/68/02/25/640680225.db2.gz DKCHQTKZJPBGIC-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933211589 640680231 /nfs/dbraw/zinc/68/02/31/640680231.db2.gz DKCHQTKZJPBGIC-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030205807 640680905 /nfs/dbraw/zinc/68/09/05/640680905.db2.gz LWRWYLWFZCIDFS-HSOILSAZSA-N 1 2 240.347 0.868 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030203476 640681276 /nfs/dbraw/zinc/68/12/76/640681276.db2.gz YQCROWMSTVTETO-YVNMAJEFSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1CC1CC1)NC1CC1 ZINC000933212816 640681564 /nfs/dbraw/zinc/68/15/64/640681564.db2.gz JGDUCTZULSLFDY-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1CC1CC1)NC1CC1 ZINC000933212816 640681570 /nfs/dbraw/zinc/68/15/70/640681570.db2.gz JGDUCTZULSLFDY-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933213941 640682769 /nfs/dbraw/zinc/68/27/69/640682769.db2.gz UAFPFVYXCASKDT-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933213941 640682773 /nfs/dbraw/zinc/68/27/73/640682773.db2.gz UAFPFVYXCASKDT-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C)ncn1 ZINC000933217217 640683364 /nfs/dbraw/zinc/68/33/64/640683364.db2.gz WGFMXOUMYBTELK-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(C)ncn1 ZINC000933217217 640683365 /nfs/dbraw/zinc/68/33/65/640683365.db2.gz WGFMXOUMYBTELK-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H]1CCNC1=O)C2 ZINC000933259189 640691851 /nfs/dbraw/zinc/69/18/51/640691851.db2.gz BMLKDWUEGXTCKS-LLVKDONJSA-N 1 2 234.303 0.150 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H]1CCCNC1=O)C2 ZINC000933256863 640693100 /nfs/dbraw/zinc/69/31/00/640693100.db2.gz HWDRHBKRJNQNBC-LBPRGKRZSA-N 1 2 248.330 0.540 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCOC[C@H]1COC ZINC000933328482 640704727 /nfs/dbraw/zinc/70/47/27/640704727.db2.gz FNALKFYRLVRCLV-KBVBDRTLSA-N 1 2 229.320 0.926 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCOC[C@H]1COC ZINC000933328482 640704732 /nfs/dbraw/zinc/70/47/32/640704732.db2.gz FNALKFYRLVRCLV-KBVBDRTLSA-N 1 2 229.320 0.926 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCCC(=O)OC ZINC000933334824 640706862 /nfs/dbraw/zinc/70/68/62/640706862.db2.gz OGPKKTOBZIUDBN-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCCC(=O)OC ZINC000933334824 640706866 /nfs/dbraw/zinc/70/68/66/640706866.db2.gz OGPKKTOBZIUDBN-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC[C@H]1COCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000933332315 640706979 /nfs/dbraw/zinc/70/69/79/640706979.db2.gz RIYDLCXASRBRNS-QWRGUYRKSA-N 1 2 245.319 0.485 20 0 BCADLO COC[C@H]1COCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000933332315 640706980 /nfs/dbraw/zinc/70/69/80/640706980.db2.gz RIYDLCXASRBRNS-QWRGUYRKSA-N 1 2 245.319 0.485 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCc1cnn(C)c1 ZINC000933337988 640707003 /nfs/dbraw/zinc/70/70/03/640707003.db2.gz YEZDPNWAQDKGEZ-LBPRGKRZSA-N 1 2 239.319 0.310 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCc1cnn(C)c1 ZINC000933337988 640707006 /nfs/dbraw/zinc/70/70/06/640707006.db2.gz YEZDPNWAQDKGEZ-LBPRGKRZSA-N 1 2 239.319 0.310 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030283575 640727881 /nfs/dbraw/zinc/72/78/81/640727881.db2.gz ACNIZNFBTQZGMP-ZETCQYMHSA-N 1 2 204.220 0.462 20 0 BCADLO COCC[NH+]1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001030289109 640733088 /nfs/dbraw/zinc/73/30/88/640733088.db2.gz PCLVQVBCKBEVEU-UHFFFAOYSA-N 1 2 238.331 0.934 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001030314835 640750563 /nfs/dbraw/zinc/75/05/63/640750563.db2.gz ZVBHJKCHYRIFPF-SNVBAGLBSA-N 1 2 248.330 0.650 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001030314928 640750889 /nfs/dbraw/zinc/75/08/89/640750889.db2.gz BQGSRVDTCBOMFN-NSHDSACASA-N 1 2 248.330 0.650 20 0 BCADLO CC[N@H+](CCC(=O)NC)Cc1nnc(C)s1 ZINC000933858140 640771973 /nfs/dbraw/zinc/77/19/73/640771973.db2.gz AXYNLGLCFKCSMH-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CC[N@@H+](CCC(=O)NC)Cc1nnc(C)s1 ZINC000933858140 640771977 /nfs/dbraw/zinc/77/19/77/640771977.db2.gz AXYNLGLCFKCSMH-UHFFFAOYSA-N 1 2 242.348 0.805 20 0 BCADLO CCc1noc(C[N@H+](CC)CCC(=O)NC)n1 ZINC000933867121 640776183 /nfs/dbraw/zinc/77/61/83/640776183.db2.gz HLCBMSJXTBJDMA-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCc1noc(C[N@@H+](CC)CCC(=O)NC)n1 ZINC000933867121 640776188 /nfs/dbraw/zinc/77/61/88/640776188.db2.gz HLCBMSJXTBJDMA-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030352635 640782527 /nfs/dbraw/zinc/78/25/27/640782527.db2.gz UITLUFOASRTTDJ-VIFPVBQESA-N 1 2 226.320 0.622 20 0 BCADLO CC1(C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001030351362 640783945 /nfs/dbraw/zinc/78/39/45/640783945.db2.gz YVZHFGUIMFBNIZ-UHFFFAOYSA-N 1 2 248.330 0.484 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001030500445 640887426 /nfs/dbraw/zinc/88/74/26/640887426.db2.gz MVDVSYWCAMNPBM-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001030554791 640909913 /nfs/dbraw/zinc/90/99/13/640909913.db2.gz OABSNDSWXDAREJ-SNVBAGLBSA-N 1 2 248.330 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001030553131 640910024 /nfs/dbraw/zinc/91/00/24/640910024.db2.gz SPHPRZBRRYRMPK-JTQLQIEISA-N 1 2 248.330 0.266 20 0 BCADLO CNc1cc(N[C@@H](C)C[S@@](C)=O)[nH+]cn1 ZINC000229090880 640921338 /nfs/dbraw/zinc/92/13/38/640921338.db2.gz FEIAJKNMKNOLLX-NZFNHWASSA-N 1 2 228.321 0.697 20 0 BCADLO O=C(NC1C[NH+](CCC2CC2)C1)c1cn[nH]n1 ZINC001030599809 640948265 /nfs/dbraw/zinc/94/82/65/640948265.db2.gz JZEYBSXRGHJOJC-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO O=C(NC1C[NH+](CCC2CC2)C1)c1cnn[nH]1 ZINC001030599809 640948266 /nfs/dbraw/zinc/94/82/66/640948266.db2.gz JZEYBSXRGHJOJC-UHFFFAOYSA-N 1 2 235.291 0.019 20 0 BCADLO CCc1c(C(=O)NC2C[NH+](CC)C2)cnn1C ZINC001030603149 640950075 /nfs/dbraw/zinc/95/00/75/640950075.db2.gz VDCUHSCNFZNZEF-UHFFFAOYSA-N 1 2 236.319 0.416 20 0 BCADLO CCOC(C[N@H+]1C[C@H](CO)O[C@@H](C)C1)OCC ZINC000229978692 641001748 /nfs/dbraw/zinc/00/17/48/641001748.db2.gz PHPIMICGBBHLAH-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@@H+]1C[C@H](CO)O[C@@H](C)C1)OCC ZINC000229978692 641001751 /nfs/dbraw/zinc/00/17/51/641001751.db2.gz PHPIMICGBBHLAH-WDEREUQCSA-N 1 2 247.335 0.467 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001030636031 641025790 /nfs/dbraw/zinc/02/57/90/641025790.db2.gz HJDWJSSGUOKOBW-ZDUSSCGKSA-N 1 2 246.310 0.810 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(OC)nc2)C1 ZINC001030642804 641044746 /nfs/dbraw/zinc/04/47/46/641044746.db2.gz LXJVHTHAQOPRLX-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO CNc1cc(NCC(=O)N(C)C)nc[nH+]1 ZINC000087810023 641051656 /nfs/dbraw/zinc/05/16/56/641051656.db2.gz PPMCBUBECRIZNG-UHFFFAOYSA-N 1 2 209.253 0.018 20 0 BCADLO CNc1cc(NCC(=O)N(C)C)[nH+]cn1 ZINC000087810023 641051659 /nfs/dbraw/zinc/05/16/59/641051659.db2.gz PPMCBUBECRIZNG-UHFFFAOYSA-N 1 2 209.253 0.018 20 0 BCADLO CNc1cc(NCC(=O)NC2CC2)nc[nH+]1 ZINC000087813101 641052723 /nfs/dbraw/zinc/05/27/23/641052723.db2.gz UPCAODSIXDHUDA-UHFFFAOYSA-N 1 2 221.264 0.209 20 0 BCADLO CNc1cc(NCC(=O)NC2CC2)[nH+]cn1 ZINC000087813101 641052726 /nfs/dbraw/zinc/05/27/26/641052726.db2.gz UPCAODSIXDHUDA-UHFFFAOYSA-N 1 2 221.264 0.209 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001030651571 641054063 /nfs/dbraw/zinc/05/40/63/641054063.db2.gz HISLCHVXGBSLDZ-UHFFFAOYSA-N 1 2 242.710 0.507 20 0 BCADLO CNc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000087838282 641065667 /nfs/dbraw/zinc/06/56/67/641065667.db2.gz OYTDTHHKBYPDAS-DTORHVGOSA-N 1 2 220.276 0.886 20 0 BCADLO CNc1cc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]cn1 ZINC000087838282 641065675 /nfs/dbraw/zinc/06/56/75/641065675.db2.gz OYTDTHHKBYPDAS-DTORHVGOSA-N 1 2 220.276 0.886 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1nnnn1C ZINC000934113853 641076352 /nfs/dbraw/zinc/07/63/52/641076352.db2.gz PLILLNUVBUXVMD-DJLDLDEBSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000934113853 641076353 /nfs/dbraw/zinc/07/63/53/641076353.db2.gz PLILLNUVBUXVMD-DJLDLDEBSA-N 1 2 225.296 0.380 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CCS(C)(=O)=O ZINC000172594137 641079862 /nfs/dbraw/zinc/07/98/62/641079862.db2.gz AJUSKEDMSBXZJU-QMMMGPOBSA-N 1 2 223.363 0.468 20 0 BCADLO C[C@H]1CSCC[N@H+]1CCS(C)(=O)=O ZINC000172594137 641079870 /nfs/dbraw/zinc/07/98/70/641079870.db2.gz AJUSKEDMSBXZJU-QMMMGPOBSA-N 1 2 223.363 0.468 20 0 BCADLO CCN1OC[C@H]([N@H+](C)[C@H]2CC[C@@H]2OC)C1=O ZINC000934114359 641080240 /nfs/dbraw/zinc/08/02/40/641080240.db2.gz SYUIYEBDSTVBKI-GUBZILKMSA-N 1 2 228.292 0.258 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)[C@H]2CC[C@@H]2OC)C1=O ZINC000934114359 641080247 /nfs/dbraw/zinc/08/02/47/641080247.db2.gz SYUIYEBDSTVBKI-GUBZILKMSA-N 1 2 228.292 0.258 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(OC)C1 ZINC000230696520 641085537 /nfs/dbraw/zinc/08/55/37/641085537.db2.gz DZQGMESWGYOYGH-AFPNSQJFSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1nncn1C ZINC000230936780 641117986 /nfs/dbraw/zinc/11/79/86/641117986.db2.gz FMLFKTIIMRQNMG-QRJSTWQJSA-N 1 2 238.291 0.585 20 0 BCADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(N)=O)nc1 ZINC000934345540 641131665 /nfs/dbraw/zinc/13/16/65/641131665.db2.gz DVMUOJZRLJFWFE-NSHDSACASA-N 1 2 235.287 0.712 20 0 BCADLO COc1ccc([C@@H]2CCC[N@H+]2CC(N)=O)nc1 ZINC000934345540 641131669 /nfs/dbraw/zinc/13/16/69/641131669.db2.gz DVMUOJZRLJFWFE-NSHDSACASA-N 1 2 235.287 0.712 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2CCOC23CCCC3)n1 ZINC000934391621 641139178 /nfs/dbraw/zinc/13/91/78/641139178.db2.gz PVOVCPKKTHRNTG-VIFPVBQESA-N 1 2 237.307 0.401 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2cncs2)no1 ZINC000088001264 641146943 /nfs/dbraw/zinc/14/69/43/641146943.db2.gz IJQQKWFOYLGYEG-YFKPBYRVSA-N 1 2 226.261 0.839 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000932973361 641168424 /nfs/dbraw/zinc/16/84/24/641168424.db2.gz IYXZHIJMHXXBOU-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000932973361 641168428 /nfs/dbraw/zinc/16/84/28/641168428.db2.gz IYXZHIJMHXXBOU-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO O[C@@H]1CC[N@H+](CCc2cnccn2)C[C@@H]1F ZINC000934568481 641200728 /nfs/dbraw/zinc/20/07/28/641200728.db2.gz UZSIPHFXOFBAEF-WDEREUQCSA-N 1 2 225.267 0.424 20 0 BCADLO O[C@@H]1CC[N@@H+](CCc2cnccn2)C[C@@H]1F ZINC000934568481 641200736 /nfs/dbraw/zinc/20/07/36/641200736.db2.gz UZSIPHFXOFBAEF-WDEREUQCSA-N 1 2 225.267 0.424 20 0 BCADLO Cc1cncn1CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001030684455 641208845 /nfs/dbraw/zinc/20/88/45/641208845.db2.gz CNETVOJIHHGQIZ-UHFFFAOYSA-N 1 2 248.330 0.402 20 0 BCADLO Cc1c[nH+]cn1CC(=O)NC1CN(CC2CC2)C1 ZINC001030684455 641208852 /nfs/dbraw/zinc/20/88/52/641208852.db2.gz CNETVOJIHHGQIZ-UHFFFAOYSA-N 1 2 248.330 0.402 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000231880156 641212624 /nfs/dbraw/zinc/21/26/24/641212624.db2.gz CNSRRQGPSGMOHM-MRVPVSSYSA-N 1 2 237.307 0.797 20 0 BCADLO CCN(C)C(=O)[C@@H](C)Nc1cc(NC)nc[nH+]1 ZINC000231880156 641212629 /nfs/dbraw/zinc/21/26/29/641212629.db2.gz CNSRRQGPSGMOHM-MRVPVSSYSA-N 1 2 237.307 0.797 20 0 BCADLO COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC1CC1 ZINC000934713288 641252840 /nfs/dbraw/zinc/25/28/40/641252840.db2.gz ZPKVPBUEZHQGTO-LBPRGKRZSA-N 1 2 237.303 0.814 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810518 641275551 /nfs/dbraw/zinc/27/55/51/641275551.db2.gz GJXHRLQZBIMATR-RWCYGVJQSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000934810518 641275557 /nfs/dbraw/zinc/27/55/57/641275557.db2.gz GJXHRLQZBIMATR-RWCYGVJQSA-N 1 2 240.303 0.316 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001030709574 641314593 /nfs/dbraw/zinc/31/45/93/641314593.db2.gz RXXMFMNWKISING-NEPJUHHUSA-N 1 2 238.331 0.622 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000935090956 641334969 /nfs/dbraw/zinc/33/49/69/641334969.db2.gz TZFFHYCCTUKVKJ-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000929513349 641341200 /nfs/dbraw/zinc/34/12/00/641341200.db2.gz CCBCDIIHXBOHGH-GXSJLCMTSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000929513349 641341207 /nfs/dbraw/zinc/34/12/07/641341207.db2.gz CCBCDIIHXBOHGH-GXSJLCMTSA-N 1 2 242.319 0.396 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2[nH]nnc2C)C1 ZINC001030774900 641346759 /nfs/dbraw/zinc/34/67/59/641346759.db2.gz BRTQZAWRUYYRPD-UHFFFAOYSA-N 1 2 249.318 0.493 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801691 641359613 /nfs/dbraw/zinc/35/96/13/641359613.db2.gz VTOXVIWQPDEIHW-NGZCFLSTSA-N 1 2 226.320 0.478 20 0 BCADLO C[C@@H]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001030808929 641362367 /nfs/dbraw/zinc/36/23/67/641362367.db2.gz CASYZPCDLUSFMP-MNOVXSKESA-N 1 2 240.347 0.605 20 0 BCADLO CC(C)(C(=O)NC1C[NH+](CCCO)C1)C1CC1 ZINC001030817821 641365672 /nfs/dbraw/zinc/36/56/72/641365672.db2.gz DLBZAVDNQHWIKV-UHFFFAOYSA-N 1 2 240.347 0.605 20 0 BCADLO CC1(C)CC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030814924 641366174 /nfs/dbraw/zinc/36/61/74/641366174.db2.gz FHESIWHAIKKDRS-NSHDSACASA-N 1 2 240.347 0.605 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@@H](F)C1 ZINC001030854974 641383937 /nfs/dbraw/zinc/38/39/37/641383937.db2.gz FHIRRLBCVUACDL-VHSXEESVSA-N 1 2 244.310 0.307 20 0 BCADLO CCc1ccccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030863775 641388946 /nfs/dbraw/zinc/38/89/46/641388946.db2.gz GAIUXGPPZNXRHA-UHFFFAOYSA-N 1 2 248.326 0.655 20 0 BCADLO C[C@@H]1CCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030872154 641393359 /nfs/dbraw/zinc/39/33/59/641393359.db2.gz LKCWBNVOWLPEJI-PWSUYJOCSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(NC12CC[NH+](CC1)C2)c1cnns1 ZINC000913628723 641432841 /nfs/dbraw/zinc/43/28/41/641432841.db2.gz KVJJWLUMGDSFMZ-UHFFFAOYSA-N 1 2 224.289 0.116 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]n1 ZINC000935598205 641442692 /nfs/dbraw/zinc/44/26/92/641442692.db2.gz VFIHCLFJOJOAHI-RNFRBKRXSA-N 1 2 232.247 0.280 20 0 BCADLO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000913760941 641468178 /nfs/dbraw/zinc/46/81/78/641468178.db2.gz UJWGLDYEHQOEMF-PWSUYJOCSA-N 1 2 248.330 0.505 20 0 BCADLO COC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935864203 641496627 /nfs/dbraw/zinc/49/66/27/641496627.db2.gz KTJIUWCNISSBQU-VIFPVBQESA-N 1 2 249.270 0.300 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935924288 641503691 /nfs/dbraw/zinc/50/36/91/641503691.db2.gz LCDVLVUTHCSJIG-BXKDBHETSA-N 1 2 237.303 0.475 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024433 641519831 /nfs/dbraw/zinc/51/98/31/641519831.db2.gz LAGLLXJZQNRLJW-RKDXNWHRSA-N 1 2 209.249 0.071 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)O[C@@H]1CCOC1 ZINC000913926928 641522899 /nfs/dbraw/zinc/52/28/99/641522899.db2.gz QDVPXNQDTAUVDH-NXEZZACHSA-N 1 2 239.275 0.787 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001030962631 641526983 /nfs/dbraw/zinc/52/69/83/641526983.db2.gz BTPKSIXXGIRYRO-LLVKDONJSA-N 1 2 245.326 0.617 20 0 BCADLO Cc1nnn(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000914025546 641548372 /nfs/dbraw/zinc/54/83/72/641548372.db2.gz VNDKLFNSFBURHT-ZETCQYMHSA-N 1 2 248.290 0.567 20 0 BCADLO Cc1nnn(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000914025546 641548375 /nfs/dbraw/zinc/54/83/75/641548375.db2.gz VNDKLFNSFBURHT-ZETCQYMHSA-N 1 2 248.290 0.567 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030978521 641556971 /nfs/dbraw/zinc/55/69/71/641556971.db2.gz KHSAMEOTAATMQX-MWLCHTKSSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030979253 641557524 /nfs/dbraw/zinc/55/75/24/641557524.db2.gz GVOGGIMTJZTETR-CKYFFXLPSA-N 1 2 240.347 0.868 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001030990821 641569698 /nfs/dbraw/zinc/56/96/98/641569698.db2.gz VKLCCIPNYKAHHM-NWDGAFQWSA-N 1 2 248.330 0.344 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000155783085 641582883 /nfs/dbraw/zinc/58/28/83/641582883.db2.gz USAUHLFNFQYUAX-QMMMGPOBSA-N 1 2 221.322 0.330 20 0 BCADLO CC(=O)CC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000155783085 641582890 /nfs/dbraw/zinc/58/28/90/641582890.db2.gz USAUHLFNFQYUAX-QMMMGPOBSA-N 1 2 221.322 0.330 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031007025 641583913 /nfs/dbraw/zinc/58/39/13/641583913.db2.gz AXQRCHBVWQITPY-MWLCHTKSSA-N 1 2 238.331 0.622 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006596 641584353 /nfs/dbraw/zinc/58/43/53/641584353.db2.gz UKCJDDONTUBXNV-SNVBAGLBSA-N 1 2 224.304 0.233 20 0 BCADLO C[C@H]([C@H](C)NC(=O)C(C)(C)F)[NH+]1CCOCC1 ZINC000156089110 641592047 /nfs/dbraw/zinc/59/20/47/641592047.db2.gz ZOIMLYWROPIMKO-VHSXEESVSA-N 1 2 246.326 0.960 20 0 BCADLO O=C(Cc1c[nH]cn1)NC1C[NH+](CCCF)C1 ZINC001031017345 641596578 /nfs/dbraw/zinc/59/65/78/641596578.db2.gz YNTWVZZPVYNUGN-UHFFFAOYSA-N 1 2 240.282 0.112 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031022386 641600280 /nfs/dbraw/zinc/60/02/80/641600280.db2.gz DIZVZPUPCQEBIF-ONGXEEELSA-N 1 2 238.331 0.358 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001031044256 641639485 /nfs/dbraw/zinc/63/94/85/641639485.db2.gz RXUMSCXPLIXFOY-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031044154 641639959 /nfs/dbraw/zinc/63/99/59/641639959.db2.gz PHGNZBLGYNMXFG-WDEREUQCSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(/C=C\c1ncc[nH]1)NCCCn1cc[nH+]c1 ZINC000493738364 641640013 /nfs/dbraw/zinc/64/00/13/641640013.db2.gz IYKKNAIXJJAXQF-IHWYPQMZSA-N 1 2 245.286 0.826 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC[C@@H]1CCOC1 ZINC000493860834 641643273 /nfs/dbraw/zinc/64/32/73/641643273.db2.gz WNAQFDCZZKZGHT-GPYPMJJRSA-N 1 2 237.259 0.507 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001031083178 641688161 /nfs/dbraw/zinc/68/81/61/641688161.db2.gz CNAQIGQPWAGXLL-NWDGAFQWSA-N 1 2 238.331 0.215 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccn3ccnc23)C1 ZINC001031098010 641699945 /nfs/dbraw/zinc/69/99/45/641699945.db2.gz NSENHIMSZQHWFC-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2nccs2)C1 ZINC001031138910 641730375 /nfs/dbraw/zinc/73/03/75/641730375.db2.gz GMKZVXOFYAAMFA-UHFFFAOYSA-N 1 2 225.317 0.967 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001031150283 641739857 /nfs/dbraw/zinc/73/98/57/641739857.db2.gz JPSKWOSUFSTPCT-WCBMZHEXSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031169200 641764628 /nfs/dbraw/zinc/76/46/28/641764628.db2.gz ABAVFLKVRJRCFW-NWDGAFQWSA-N 1 2 240.347 0.461 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031177067 641775364 /nfs/dbraw/zinc/77/53/64/641775364.db2.gz ZHGBWTWYQVSXOY-WCQYABFASA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031176478 641775971 /nfs/dbraw/zinc/77/59/71/641775971.db2.gz AFDWTNBFSKQXOQ-WCQYABFASA-N 1 2 240.347 0.461 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)O[C@H]1CCOC1 ZINC000915717043 641854434 /nfs/dbraw/zinc/85/44/34/641854434.db2.gz LTHHKWXQHJQNBT-VIFPVBQESA-N 1 2 225.248 0.435 20 0 BCADLO CC(C)(C)C(=O)NC1C[NH+](CCCO)C1 ZINC001031292675 641874286 /nfs/dbraw/zinc/87/42/86/641874286.db2.gz YIILDAKGQRSZRI-UHFFFAOYSA-N 1 2 214.309 0.215 20 0 BCADLO COCC[NH+]1CCN(C(=O)C2(CF)CC2)CC1 ZINC000950416779 641919523 /nfs/dbraw/zinc/91/95/23/641919523.db2.gz FJTPKPNPYVWMEF-UHFFFAOYSA-N 1 2 244.310 0.527 20 0 BCADLO Cc1nc(C(=O)NCc2ccc(N)[nH+]c2)no1 ZINC000192030529 641957738 /nfs/dbraw/zinc/95/77/38/641957738.db2.gz BOQOPVOQNIHJCT-UHFFFAOYSA-N 1 2 233.231 0.285 20 0 BCADLO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCC1=O ZINC000925430163 641965116 /nfs/dbraw/zinc/96/51/16/641965116.db2.gz OQFBOCUBCLKPDM-UWVGGRQHSA-N 1 2 239.319 0.311 20 0 BCADLO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCC1=O ZINC000925430163 641965121 /nfs/dbraw/zinc/96/51/21/641965121.db2.gz OQFBOCUBCLKPDM-UWVGGRQHSA-N 1 2 239.319 0.311 20 0 BCADLO CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000035391126 641969203 /nfs/dbraw/zinc/96/92/03/641969203.db2.gz USZRPPRXZZAIML-SECBINFHSA-N 1 2 211.265 0.582 20 0 BCADLO COCC[NH+]1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC001031415661 642110192 /nfs/dbraw/zinc/11/01/92/642110192.db2.gz ADUZWXJFLSWVRH-UHFFFAOYSA-N 1 2 237.303 0.004 20 0 BCADLO CC[NH+]1CC(NC(=O)c2[nH]cnc2C)C1 ZINC001031491319 642217196 /nfs/dbraw/zinc/21/71/96/642217196.db2.gz ZAGKNLBOWREQMY-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001031506474 642240580 /nfs/dbraw/zinc/24/05/80/642240580.db2.gz DWSFIUHPVVVGTL-VIFPVBQESA-N 1 2 236.319 0.344 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cnccn1 ZINC001031523995 642266059 /nfs/dbraw/zinc/26/60/59/642266059.db2.gz SJAXYLZOBIKTRB-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031526463 642273728 /nfs/dbraw/zinc/27/37/28/642273728.db2.gz AKSUSHDEXXDLHZ-WPRPVWTQSA-N 1 2 214.284 0.660 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCCO1 ZINC001031535706 642282043 /nfs/dbraw/zinc/28/20/43/642282043.db2.gz ZKASGAFORODUNL-JTQLQIEISA-N 1 2 230.283 0.183 20 0 BCADLO C[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930050725 642289735 /nfs/dbraw/zinc/28/97/35/642289735.db2.gz WIPDLKMENGRGRJ-SSDOTTSWSA-N 1 2 219.244 0.674 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1COCCO1)C2 ZINC000930067791 642325018 /nfs/dbraw/zinc/32/50/18/642325018.db2.gz AGIMQHPPLWOSHP-SNVBAGLBSA-N 1 2 223.276 0.183 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1COCCO1)C2 ZINC000930067791 642325020 /nfs/dbraw/zinc/32/50/20/642325020.db2.gz AGIMQHPPLWOSHP-SNVBAGLBSA-N 1 2 223.276 0.183 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1COCCO1)C2 ZINC000930067790 642325645 /nfs/dbraw/zinc/32/56/45/642325645.db2.gz AGIMQHPPLWOSHP-JTQLQIEISA-N 1 2 223.276 0.183 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@H]1COCCO1)C2 ZINC000930067790 642325650 /nfs/dbraw/zinc/32/56/50/642325650.db2.gz AGIMQHPPLWOSHP-JTQLQIEISA-N 1 2 223.276 0.183 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cnn(C)n2)c1C ZINC000307987097 642328036 /nfs/dbraw/zinc/32/80/36/642328036.db2.gz SVTVNEYQVMPARQ-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cocn1 ZINC001031581303 642333511 /nfs/dbraw/zinc/33/35/11/642333511.db2.gz PYBDWEIBAJKRAB-UHFFFAOYSA-N 1 2 227.239 0.306 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919981494 642416361 /nfs/dbraw/zinc/41/63/61/642416361.db2.gz MVIHOKNMHDBOHF-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO CCCOC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919981494 642416364 /nfs/dbraw/zinc/41/63/64/642416364.db2.gz MVIHOKNMHDBOHF-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919981498 642417708 /nfs/dbraw/zinc/41/77/08/642417708.db2.gz MVIHOKNMHDBOHF-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919981498 642417713 /nfs/dbraw/zinc/41/77/13/642417713.db2.gz MVIHOKNMHDBOHF-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO CCn1c[nH+]c2c1CCN(Cc1cnn(C)n1)C2 ZINC000933255586 642425061 /nfs/dbraw/zinc/42/50/61/642425061.db2.gz MCHQAPTXKDTRLU-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC[S@](C)=O)C2 ZINC000933255669 642425237 /nfs/dbraw/zinc/42/52/37/642425237.db2.gz OZRRKYGSBPUWSW-INIZCTEOSA-N 1 2 241.360 0.640 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccn1 ZINC000921412031 642614270 /nfs/dbraw/zinc/61/42/70/642614270.db2.gz DOPQQWKTRMXPIV-SECBINFHSA-N 1 2 241.316 0.064 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccn1 ZINC000921412031 642614275 /nfs/dbraw/zinc/61/42/75/642614275.db2.gz DOPQQWKTRMXPIV-SECBINFHSA-N 1 2 241.316 0.064 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)OCCF ZINC000921432999 642623822 /nfs/dbraw/zinc/62/38/22/642623822.db2.gz GGFIDUVVZIGXLR-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@H]1C ZINC000179514419 642723638 /nfs/dbraw/zinc/72/36/38/642723638.db2.gz VXSKKEKRSLFXEB-OUAUKWLOSA-N 1 2 227.304 0.906 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000652816151 642804641 /nfs/dbraw/zinc/80/46/41/642804641.db2.gz UWHRLIWIRLNTBO-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(NCC[NH2+][C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000353401458 642821269 /nfs/dbraw/zinc/82/12/69/642821269.db2.gz IBGNHDZGMAKJNY-LLVKDONJSA-N 1 2 248.330 0.903 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccc[nH]1 ZINC001010166105 642851160 /nfs/dbraw/zinc/85/11/60/642851160.db2.gz HWGFSAYAIPSVMA-VIFPVBQESA-N 1 2 225.267 0.788 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccc[nH]1 ZINC001010166105 642851166 /nfs/dbraw/zinc/85/11/66/642851166.db2.gz HWGFSAYAIPSVMA-VIFPVBQESA-N 1 2 225.267 0.788 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)on1 ZINC001010174869 642855650 /nfs/dbraw/zinc/85/56/50/642855650.db2.gz ZUHOEBBZQUGELP-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)on1 ZINC001010174869 642855651 /nfs/dbraw/zinc/85/56/51/642855651.db2.gz ZUHOEBBZQUGELP-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010244846 642855827 /nfs/dbraw/zinc/85/58/27/642855827.db2.gz RRAPOAMADAODRA-SNVBAGLBSA-N 1 2 239.294 0.799 20 0 BCADLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010244846 642855829 /nfs/dbraw/zinc/85/58/29/642855829.db2.gz RRAPOAMADAODRA-SNVBAGLBSA-N 1 2 239.294 0.799 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cn[nH]c1 ZINC001010297570 642857417 /nfs/dbraw/zinc/85/74/17/642857417.db2.gz GRQKPDZCVKAXNP-VIFPVBQESA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cn[nH]c1 ZINC001010297570 642857419 /nfs/dbraw/zinc/85/74/19/642857419.db2.gz GRQKPDZCVKAXNP-VIFPVBQESA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccon1 ZINC001010330600 642859866 /nfs/dbraw/zinc/85/98/66/642859866.db2.gz JNBFGCQSKUXLJC-MRVPVSSYSA-N 1 2 227.239 0.448 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccon1 ZINC001010330600 642859872 /nfs/dbraw/zinc/85/98/72/642859872.db2.gz JNBFGCQSKUXLJC-MRVPVSSYSA-N 1 2 227.239 0.448 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010361087 642860005 /nfs/dbraw/zinc/86/00/05/642860005.db2.gz LPDDEPREMBIWJF-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010361087 642860010 /nfs/dbraw/zinc/86/00/10/642860010.db2.gz LPDDEPREMBIWJF-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010361088 642860416 /nfs/dbraw/zinc/86/04/16/642860416.db2.gz LPDDEPREMBIWJF-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010361088 642860418 /nfs/dbraw/zinc/86/04/18/642860418.db2.gz LPDDEPREMBIWJF-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCCCO1 ZINC001010639551 642870643 /nfs/dbraw/zinc/87/06/43/642870643.db2.gz MWKOSKWTVVGIIX-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCCCO1 ZINC001010639551 642870645 /nfs/dbraw/zinc/87/06/45/642870645.db2.gz MWKOSKWTVVGIIX-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000181427562 642870774 /nfs/dbraw/zinc/87/07/74/642870774.db2.gz FLONPPMKDDTNGB-NSHDSACASA-N 1 2 229.320 0.890 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000181427562 642870780 /nfs/dbraw/zinc/87/07/80/642870780.db2.gz FLONPPMKDDTNGB-NSHDSACASA-N 1 2 229.320 0.890 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@@H]1CCOC1=O)C2 ZINC000069521557 642873383 /nfs/dbraw/zinc/87/33/83/642873383.db2.gz MMVABHAUSPZCRY-SNVBAGLBSA-N 1 2 221.260 0.094 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@H]1CCOC1=O)C2 ZINC000069521558 642873783 /nfs/dbraw/zinc/87/37/83/642873783.db2.gz MMVABHAUSPZCRY-JTQLQIEISA-N 1 2 221.260 0.094 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ncc[nH]1 ZINC001014377174 642888266 /nfs/dbraw/zinc/88/82/66/642888266.db2.gz BPZDIDOMYYKVND-QMMMGPOBSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ncc[nH]1 ZINC001014377174 642888269 /nfs/dbraw/zinc/88/82/69/642888269.db2.gz BPZDIDOMYYKVND-QMMMGPOBSA-N 1 2 226.255 0.183 20 0 BCADLO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015134751 642898697 /nfs/dbraw/zinc/89/86/97/642898697.db2.gz AZCADVNQBBAOAN-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015134751 642898701 /nfs/dbraw/zinc/89/87/01/642898701.db2.gz AZCADVNQBBAOAN-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@]1(F)CCOC1 ZINC001015612962 642911250 /nfs/dbraw/zinc/91/12/50/642911250.db2.gz UNOACZNALGUEHZ-KOLCDFICSA-N 1 2 248.273 0.275 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@]1(F)CCOC1 ZINC001015612962 642911252 /nfs/dbraw/zinc/91/12/52/642911252.db2.gz UNOACZNALGUEHZ-KOLCDFICSA-N 1 2 248.273 0.275 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015952616 642943090 /nfs/dbraw/zinc/94/30/90/642943090.db2.gz YSSQNOUFHJTHOU-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015952616 642943098 /nfs/dbraw/zinc/94/30/98/642943098.db2.gz YSSQNOUFHJTHOU-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO c1ncc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000182078000 642948315 /nfs/dbraw/zinc/94/83/15/642948315.db2.gz FTIGISXOQPYPAV-UHFFFAOYSA-N 1 2 235.287 0.816 20 0 BCADLO c1ncc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC000182078000 642948326 /nfs/dbraw/zinc/94/83/26/642948326.db2.gz FTIGISXOQPYPAV-UHFFFAOYSA-N 1 2 235.287 0.816 20 0 BCADLO Cc1n[nH]cc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031888354 642990008 /nfs/dbraw/zinc/99/00/08/642990008.db2.gz FTJPQIXWTPGXOQ-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)CC(C)(C)O1 ZINC000182575199 643036283 /nfs/dbraw/zinc/03/62/83/643036283.db2.gz IQIOBJALHRJXSJ-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)CC(C)(C)O1 ZINC000182575199 643036294 /nfs/dbraw/zinc/03/62/94/643036294.db2.gz IQIOBJALHRJXSJ-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO CC(=O)N[C@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC000969175787 643092501 /nfs/dbraw/zinc/09/25/01/643092501.db2.gz DGICYDMGFMEYOX-SECBINFHSA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000941701072 643119700 /nfs/dbraw/zinc/11/97/00/643119700.db2.gz XXGDDRASPYPPIO-GZMMTYOYSA-N 1 2 238.291 0.416 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000941701072 643119706 /nfs/dbraw/zinc/11/97/06/643119706.db2.gz XXGDDRASPYPPIO-GZMMTYOYSA-N 1 2 238.291 0.416 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338771 643140224 /nfs/dbraw/zinc/14/02/24/643140224.db2.gz GJZMODGNWDPSTG-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338771 643140227 /nfs/dbraw/zinc/14/02/27/643140227.db2.gz GJZMODGNWDPSTG-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO C[C@H](NC(=O)c1cn[nH]c1)C1C[NH+](CCF)C1 ZINC000969339420 643147566 /nfs/dbraw/zinc/14/75/66/643147566.db2.gz VCDACSSFPJUHQX-QMMMGPOBSA-N 1 2 240.282 0.429 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccncn1 ZINC001032060122 643219560 /nfs/dbraw/zinc/21/95/60/643219560.db2.gz JSLUHPKIJARDNQ-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO COCCCONC(=O)CCc1c[nH]c[nH+]1 ZINC000287662382 643238927 /nfs/dbraw/zinc/23/89/27/643238927.db2.gz CTDPSPKNTHKKJE-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO COCCCONC(=O)CCc1c[nH+]c[nH]1 ZINC000287662382 643238934 /nfs/dbraw/zinc/23/89/34/643238934.db2.gz CTDPSPKNTHKKJE-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO CCNC(=O)C[N@H+](CC)C/C=C/C(=O)OCC ZINC000131115162 643258924 /nfs/dbraw/zinc/25/89/24/643258924.db2.gz BOGUYGPIPVDOLB-BQYQJAHWSA-N 1 2 242.319 0.564 20 0 BCADLO CCNC(=O)C[N@@H+](CC)C/C=C/C(=O)OCC ZINC000131115162 643258931 /nfs/dbraw/zinc/25/89/31/643258931.db2.gz BOGUYGPIPVDOLB-BQYQJAHWSA-N 1 2 242.319 0.564 20 0 BCADLO C[N@H+](CCN1CCOC1=O)Cc1cnccn1 ZINC000080966703 643287609 /nfs/dbraw/zinc/28/76/09/643287609.db2.gz YMQYHAXWLQOKCI-UHFFFAOYSA-N 1 2 236.275 0.361 20 0 BCADLO C[N@@H+](CCN1CCOC1=O)Cc1cnccn1 ZINC000080966703 643287614 /nfs/dbraw/zinc/28/76/14/643287614.db2.gz YMQYHAXWLQOKCI-UHFFFAOYSA-N 1 2 236.275 0.361 20 0 BCADLO Cn1ccnc1C(=O)NCCCCn1cc[nH+]c1 ZINC000082267830 643289680 /nfs/dbraw/zinc/28/96/80/643289680.db2.gz KMHPRSVLXSSYOR-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO Cn1ccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000082267783 643289783 /nfs/dbraw/zinc/28/97/83/643289783.db2.gz DMOAFLDHJWSICU-UHFFFAOYSA-N 1 2 233.275 0.437 20 0 BCADLO Cn1cnc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000932474978 643293303 /nfs/dbraw/zinc/29/33/03/643293303.db2.gz JLMOQOMZJHMLLK-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO CO[C@H](C)c1noc(C[NH2+][C@@H]2COC[C@H]2C)n1 ZINC000932497209 643323528 /nfs/dbraw/zinc/32/35/28/643323528.db2.gz PODDJRGFXARWPO-IWSPIJDZSA-N 1 2 241.291 0.902 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000091575683 643331079 /nfs/dbraw/zinc/33/10/79/643331079.db2.gz WIPLDYZVLAPKOM-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000091575683 643331085 /nfs/dbraw/zinc/33/10/85/643331085.db2.gz WIPLDYZVLAPKOM-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO Cc1nonc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032226283 643362509 /nfs/dbraw/zinc/36/25/09/643362509.db2.gz ZZJCSZQBPKDEMS-UHFFFAOYSA-N 1 2 242.254 0.009 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000932645302 643388597 /nfs/dbraw/zinc/38/85/97/643388597.db2.gz AARUWPNMKLRZLT-DTWKUNHWSA-N 1 2 227.260 0.187 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000932645302 643388601 /nfs/dbraw/zinc/38/86/01/643388601.db2.gz AARUWPNMKLRZLT-DTWKUNHWSA-N 1 2 227.260 0.187 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CCOC1 ZINC001015903912 643417854 /nfs/dbraw/zinc/41/78/54/643417854.db2.gz ACWXKLBQCXCDKP-CMPLNLGQSA-N 1 2 244.310 0.573 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC001015903912 643417858 /nfs/dbraw/zinc/41/78/58/643417858.db2.gz ACWXKLBQCXCDKP-CMPLNLGQSA-N 1 2 244.310 0.573 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443101 643452441 /nfs/dbraw/zinc/45/24/41/643452441.db2.gz BJBUENQVJUHLND-SECBINFHSA-N 1 2 237.307 0.248 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000926056047 643453358 /nfs/dbraw/zinc/45/33/58/643453358.db2.gz WDYSNDPQYMMDOU-HNNXBMFYSA-N 1 2 229.305 0.916 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000926056048 643454784 /nfs/dbraw/zinc/45/47/84/643454784.db2.gz WDYSNDPQYMMDOU-OAHLLOKOSA-N 1 2 229.305 0.916 20 0 BCADLO CC[S@](=O)CCNc1nc[nH+]c(N)c1Cl ZINC000234099896 643484705 /nfs/dbraw/zinc/48/47/05/643484705.db2.gz BGHNQFJSOGZUPI-HNNXBMFYSA-N 1 2 248.739 0.893 20 0 BCADLO O=C(C1=COCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000733983971 643486369 /nfs/dbraw/zinc/48/63/69/643486369.db2.gz SMGYUMQOUBWJSG-UHFFFAOYSA-N 1 2 235.243 0.155 20 0 BCADLO C[C@H](C(=O)OCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000771998064 643621335 /nfs/dbraw/zinc/62/13/35/643621335.db2.gz ZXMXKLWESXIBGB-JTQLQIEISA-N 1 2 248.286 0.964 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C=C(/C)C(=O)OC ZINC000084002724 643636890 /nfs/dbraw/zinc/63/68/90/643636890.db2.gz PBPRKHRZIKUEQH-TWGQIWQCSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C=C(/C)C(=O)OC ZINC000084002724 643636894 /nfs/dbraw/zinc/63/68/94/643636894.db2.gz PBPRKHRZIKUEQH-TWGQIWQCSA-N 1 2 228.292 0.174 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000084002253 643641126 /nfs/dbraw/zinc/64/11/26/643641126.db2.gz ZOKHLVDUXPZAFA-WHXYTISESA-N 1 2 226.276 0.055 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H]1C(N)=O ZINC000084002253 643641131 /nfs/dbraw/zinc/64/11/31/643641131.db2.gz ZOKHLVDUXPZAFA-WHXYTISESA-N 1 2 226.276 0.055 20 0 BCADLO CC(C)N1C(=O)C(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000073586203 643688874 /nfs/dbraw/zinc/68/88/74/643688874.db2.gz WGSGQEBUNMULDB-UHFFFAOYSA-N 1 2 239.275 0.237 20 0 BCADLO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000073586203 643688878 /nfs/dbraw/zinc/68/88/78/643688878.db2.gz WGSGQEBUNMULDB-UHFFFAOYSA-N 1 2 239.275 0.237 20 0 BCADLO C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC000073586139 643689703 /nfs/dbraw/zinc/68/97/03/643689703.db2.gz BTEYZTIUDZUUSM-PHIMTYICSA-N 1 2 234.299 0.989 20 0 BCADLO C[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC000073586139 643689706 /nfs/dbraw/zinc/68/97/06/643689706.db2.gz BTEYZTIUDZUUSM-PHIMTYICSA-N 1 2 234.299 0.989 20 0 BCADLO CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000998316803 643695566 /nfs/dbraw/zinc/69/55/66/643695566.db2.gz ZIPSCRULVIHTSR-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO Cc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc(Cl)n1 ZINC000320542545 643754386 /nfs/dbraw/zinc/75/43/86/643754386.db2.gz KQBATUYZLPREJP-UWVGGRQHSA-N 1 2 242.706 0.581 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001002187040 643810933 /nfs/dbraw/zinc/81/09/33/643810933.db2.gz LHMHWZCESKZSPW-UHFFFAOYSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000922010748 643844915 /nfs/dbraw/zinc/84/49/15/643844915.db2.gz TWUUDUCNUUTFGF-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000922010748 643844918 /nfs/dbraw/zinc/84/49/18/643844918.db2.gz TWUUDUCNUUTFGF-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO CCn1c[nH+]cc1CNc1nncn1C ZINC000922178727 643892354 /nfs/dbraw/zinc/89/23/54/643892354.db2.gz YCSSZHUNEOOBNT-UHFFFAOYSA-N 1 2 206.253 0.644 20 0 BCADLO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ncc(C)o1 ZINC000922182501 643896856 /nfs/dbraw/zinc/89/68/56/643896856.db2.gz KDCWDXIRPLKIRJ-ZJUUUORDSA-N 1 2 228.292 0.595 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC=C[C@@H]1CO ZINC000922269757 643937838 /nfs/dbraw/zinc/93/78/38/643937838.db2.gz RXFOVAYOFOYRDN-LLVKDONJSA-N 1 2 235.287 0.423 20 0 BCADLO CN1C[C@@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922325131 643969954 /nfs/dbraw/zinc/96/99/54/643969954.db2.gz XXVDBAANRJHEFF-VIFPVBQESA-N 1 2 249.270 0.185 20 0 BCADLO Nc1[nH+]cccc1COC(=O)CNC(=O)C1CC1 ZINC000922331595 643971090 /nfs/dbraw/zinc/97/10/90/643971090.db2.gz AZTIIFIQGOEJNU-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO CO[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922373421 643981782 /nfs/dbraw/zinc/98/17/82/643981782.db2.gz JIDUAIKXRQZMHG-SSDOTTSWSA-N 1 2 210.233 0.742 20 0 BCADLO COC/C(C)=C/C[NH+]1CCN(C(=O)OC)CC1 ZINC000929299057 643984315 /nfs/dbraw/zinc/98/43/15/643984315.db2.gz VKNJWYAHSWNVJT-NYYWCZLTSA-N 1 2 242.319 0.963 20 0 BCADLO CC(C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922401393 643987081 /nfs/dbraw/zinc/98/70/81/643987081.db2.gz KIRVXHHRALOQSV-UHFFFAOYSA-N 1 2 210.233 0.478 20 0 BCADLO CC(C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000922401433 643987069 /nfs/dbraw/zinc/98/70/69/643987069.db2.gz LTKFKVGTWSUPOL-UHFFFAOYSA-N 1 2 210.233 0.478 20 0 BCADLO CNC(=O)C1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922419774 643990766 /nfs/dbraw/zinc/99/07/66/643990766.db2.gz VLJNUZOTRHLKEJ-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000925359583 643992969 /nfs/dbraw/zinc/99/29/69/643992969.db2.gz QLUPDCOJVHBENC-WPRPVWTQSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@H]1C[N@H+](C)CCO1 ZINC000925359583 643992973 /nfs/dbraw/zinc/99/29/73/643992973.db2.gz QLUPDCOJVHBENC-WPRPVWTQSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@H]1C[N@@H+](C)CCO1 ZINC000925359583 643992976 /nfs/dbraw/zinc/99/29/76/643992976.db2.gz QLUPDCOJVHBENC-WPRPVWTQSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000925359580 643993429 /nfs/dbraw/zinc/99/34/29/643993429.db2.gz QLUPDCOJVHBENC-PSASIEDQSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@@H]1C[N@H+](C)CCO1 ZINC000925359580 643993435 /nfs/dbraw/zinc/99/34/35/643993435.db2.gz QLUPDCOJVHBENC-PSASIEDQSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000925359580 643993438 /nfs/dbraw/zinc/99/34/38/643993438.db2.gz QLUPDCOJVHBENC-PSASIEDQSA-N 1 2 240.307 0.359 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000922490521 644001706 /nfs/dbraw/zinc/00/17/06/644001706.db2.gz QGPNZLUWNWXKCT-NXEZZACHSA-N 1 2 236.271 0.868 20 0 BCADLO Cc1c(C(=O)OCc2ccc[nH+]c2N)nnn1C ZINC000922484152 644002536 /nfs/dbraw/zinc/00/25/36/644002536.db2.gz JNVRXMJGSRSXIF-UHFFFAOYSA-N 1 2 247.258 0.458 20 0 BCADLO Nc1ccc(COC(=O)C2(CCO)CC2)c[nH+]1 ZINC000922618857 644044287 /nfs/dbraw/zinc/04/42/87/644044287.db2.gz IWMPVNDRQIPSSO-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C1COC1 ZINC000922635144 644047023 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/nfs/dbraw/zinc/18/29/68/644182968.db2.gz PJCZTFLZZRLFQB-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO O[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCOCC2 ZINC000923019594 644234533 /nfs/dbraw/zinc/23/45/33/644234533.db2.gz KDNWYJPXGPRTSV-WDEREUQCSA-N 1 2 237.303 0.429 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12C[C@H]1COC2 ZINC000923358101 644368075 /nfs/dbraw/zinc/36/80/75/644368075.db2.gz CGXIJHYYGFMBJM-KWQFWETISA-N 1 2 221.260 0.166 20 0 BCADLO CCO[C@H](C[N@H+]1CCNCC[NH2+]CC1)C1CC1 ZINC000923459757 644434505 /nfs/dbraw/zinc/43/45/05/644434505.db2.gz FPQVPTFQTSJODX-CYBMUJFWSA-N 1 2 241.379 0.296 20 0 BCADLO CCO[C@H](CN1CC[NH2+]CC[NH2+]CC1)C1CC1 ZINC000923459757 644434506 /nfs/dbraw/zinc/43/45/06/644434506.db2.gz FPQVPTFQTSJODX-CYBMUJFWSA-N 1 2 241.379 0.296 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)[C@H]1C ZINC000245600935 644533095 /nfs/dbraw/zinc/53/30/95/644533095.db2.gz IVBDSYPXXZMTHV-BDAKNGLRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)[C@H]1C ZINC000245600935 644533097 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ZINC000957990956 644767322 /nfs/dbraw/zinc/76/73/22/644767322.db2.gz JTAYRUGKONYSQS-PJXYFTJBSA-N 1 2 246.314 0.351 20 0 BCADLO COC/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000786618127 644780061 /nfs/dbraw/zinc/78/00/61/644780061.db2.gz GJOZSCOCVYCYGV-IHWYPQMZSA-N 1 2 210.233 0.629 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840083835 644858345 /nfs/dbraw/zinc/85/83/45/644858345.db2.gz OXNKRESWYHCUMU-WOPDTQHZSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840083835 644858347 /nfs/dbraw/zinc/85/83/47/644858347.db2.gz OXNKRESWYHCUMU-WOPDTQHZSA-N 1 2 238.331 0.923 20 0 BCADLO C[S@@](=O)CCNc1nc(N)[nH+]c(C2CC2)n1 ZINC000304468860 644909625 /nfs/dbraw/zinc/90/96/25/644909625.db2.gz NDIJLZFVGATSRT-MRXNPFEDSA-N 1 2 241.320 0.122 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000817339489 644973686 /nfs/dbraw/zinc/97/36/86/644973686.db2.gz LDOQRURNZPEGIV-SNVBAGLBSA-N 1 2 235.287 0.903 20 0 BCADLO CNC(=O)[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000817371163 644978029 /nfs/dbraw/zinc/97/80/29/644978029.db2.gz RRWJTEMQYMGPBK-MRVPVSSYSA-N 1 2 242.710 0.562 20 0 BCADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000817371163 644978034 /nfs/dbraw/zinc/97/80/34/644978034.db2.gz RRWJTEMQYMGPBK-MRVPVSSYSA-N 1 2 242.710 0.562 20 0 BCADLO CCCONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000828240989 645100464 /nfs/dbraw/zinc/10/04/64/645100464.db2.gz KEVHAWSIPQXSRV-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO O=C(NC1COC1)c1cc2c[nH+]ccc2[nH]1 ZINC000828190650 645100630 /nfs/dbraw/zinc/10/06/30/645100630.db2.gz LMBGKPOVDXNAHL-UHFFFAOYSA-N 1 2 217.228 0.692 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000828560830 645105839 /nfs/dbraw/zinc/10/58/39/645105839.db2.gz QTGBWPZZOUZGQY-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC[S@](C)=O ZINC000828560830 645105842 /nfs/dbraw/zinc/10/58/42/645105842.db2.gz QTGBWPZZOUZGQY-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(C)=NO1 ZINC000829493722 645109702 /nfs/dbraw/zinc/10/97/02/645109702.db2.gz QWKMXWUIUVDBJQ-SECBINFHSA-N 1 2 222.248 0.499 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000830353562 645121960 /nfs/dbraw/zinc/12/19/60/645121960.db2.gz AJLQEJPAAWEMRI-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO CS[C@@H](CO)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830379735 645123547 /nfs/dbraw/zinc/12/35/47/645123547.db2.gz FAOCNDIKYIEORN-YUMQZZPRSA-N 1 2 243.332 0.181 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCC(=O)C1 ZINC000830886435 645127287 /nfs/dbraw/zinc/12/72/87/645127287.db2.gz PQXNBZVKEDDMHM-VIFPVBQESA-N 1 2 236.271 0.875 20 0 BCADLO CCN1C[C@H]([NH2+][C@H]2C[C@@H](C)n3ncnc32)CC1=O ZINC000926524360 645254374 /nfs/dbraw/zinc/25/43/74/645254374.db2.gz DRBJXOQZZDHUML-BBBLOLIVSA-N 1 2 249.318 0.494 20 0 BCADLO CCN1C[C@H]([NH2+][C@H](C)c2cnn(C)n2)CC1=O ZINC000926526654 645254759 /nfs/dbraw/zinc/25/47/59/645254759.db2.gz NHAULMIMFCVXSW-RKDXNWHRSA-N 1 2 237.307 0.087 20 0 BCADLO COCC(COC)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926529083 645256975 /nfs/dbraw/zinc/25/69/75/645256975.db2.gz CPWPOCFRHHBEFY-PSASIEDQSA-N 1 2 240.307 0.535 20 0 BCADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)nn1 ZINC000926535227 645261493 /nfs/dbraw/zinc/26/14/93/645261493.db2.gz OBDBAWITQJMGPN-FBIMIBRVSA-N 1 2 240.307 0.269 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000926547669 645268291 /nfs/dbraw/zinc/26/82/91/645268291.db2.gz MSMSRERIKLGTIV-SZEHBUNVSA-N 1 2 241.291 0.833 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@@H](C)c2cnn(C)n2)C1 ZINC000926593612 645294916 /nfs/dbraw/zinc/29/49/16/645294916.db2.gz CSMMHUCDLGXZCX-VHSXEESVSA-N 1 2 223.324 0.560 20 0 BCADLO CC[C@@H]1COC[C@@H]1[NH2+]Cc1nc(COC)n[nH]1 ZINC000926693153 645363143 /nfs/dbraw/zinc/36/31/43/645363143.db2.gz JOZDFXPSCYKKEF-BDAKNGLRSA-N 1 2 240.307 0.466 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000926768398 645413334 /nfs/dbraw/zinc/41/33/34/645413334.db2.gz YYNCCWWJBNIUPU-PSASIEDQSA-N 1 2 240.307 0.095 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cnn(C)n1 ZINC000926810791 645441860 /nfs/dbraw/zinc/44/18/60/645441860.db2.gz CXUBBEWGZFQJPW-RKDXNWHRSA-N 1 2 234.307 0.960 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@@H+]1C)c1cc(CO)on1 ZINC000926896158 645475210 /nfs/dbraw/zinc/47/52/10/645475210.db2.gz ZHLQBTIVSYIIFC-RKDXNWHRSA-N 1 2 225.292 0.522 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@H+]1C)c1cc(CO)on1 ZINC000926896158 645475219 /nfs/dbraw/zinc/47/52/19/645475219.db2.gz ZHLQBTIVSYIIFC-RKDXNWHRSA-N 1 2 225.292 0.522 20 0 BCADLO CCn1ccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000855561371 645529033 /nfs/dbraw/zinc/52/90/33/645529033.db2.gz VNFFVMANXKNYTM-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H](O)c1ccccn1 ZINC000857437312 645558470 /nfs/dbraw/zinc/55/84/70/645558470.db2.gz QXEYRJAOFHLAGM-LLVKDONJSA-N 1 2 246.270 0.128 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cnsn2)c1 ZINC000857534598 645601952 /nfs/dbraw/zinc/60/19/52/645601952.db2.gz SDWFHPIFJRXKAL-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO CN(C)c1cc[nH+]c(CNC(=O)c2nc[nH]n2)c1 ZINC000927700854 645641133 /nfs/dbraw/zinc/64/11/33/645641133.db2.gz LWDLTCARDVEHSO-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO CO[C@@H]1CCCN(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000928425382 645740225 /nfs/dbraw/zinc/74/02/25/645740225.db2.gz CGTLOOSREBTQAQ-SNVBAGLBSA-N 1 2 238.291 0.094 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000928525576 645788597 /nfs/dbraw/zinc/78/85/97/645788597.db2.gz CQVXWSMPOLRJNH-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CC(=O)CSCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553662 645809286 /nfs/dbraw/zinc/80/92/86/645809286.db2.gz CAZQTAXNTXKDEM-VIFPVBQESA-N 1 2 230.333 0.129 20 0 BCADLO CC(=O)CSCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553662 645809293 /nfs/dbraw/zinc/80/92/93/645809293.db2.gz CAZQTAXNTXKDEM-VIFPVBQESA-N 1 2 230.333 0.129 20 0 BCADLO COC(C)(C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000928600240 645842755 /nfs/dbraw/zinc/84/27/55/645842755.db2.gz TZWYBOIQOFOCOY-SECBINFHSA-N 1 2 239.319 0.892 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ncn(C)n2)C1 ZINC000886559937 645889050 /nfs/dbraw/zinc/88/90/50/645889050.db2.gz JLSLCHLVVRPVFU-BDAKNGLRSA-N 1 2 238.291 0.246 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000928921336 645895357 /nfs/dbraw/zinc/89/53/57/645895357.db2.gz XFDKIGKLIQMPGW-SJQPAMGKSA-N 1 2 235.287 0.664 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000928921336 645895361 /nfs/dbraw/zinc/89/53/61/645895361.db2.gz XFDKIGKLIQMPGW-SJQPAMGKSA-N 1 2 235.287 0.664 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000929157458 645980065 /nfs/dbraw/zinc/98/00/65/645980065.db2.gz VEABAJVUGDISCI-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnn(CCF)c1 ZINC000929189720 645994560 /nfs/dbraw/zinc/99/45/60/645994560.db2.gz TZSIFONQRLTJCC-UHFFFAOYSA-N 1 2 242.298 0.548 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnn(CCF)c1 ZINC000929189720 645994556 /nfs/dbraw/zinc/99/45/56/645994556.db2.gz TZSIFONQRLTJCC-UHFFFAOYSA-N 1 2 242.298 0.548 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000929253518 646035223 /nfs/dbraw/zinc/03/52/23/646035223.db2.gz DRSXPXSYOLWXSN-QWHCGFSZSA-N 1 2 237.299 0.413 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000929253518 646035232 /nfs/dbraw/zinc/03/52/32/646035232.db2.gz DRSXPXSYOLWXSN-QWHCGFSZSA-N 1 2 237.299 0.413 20 0 BCADLO CC[C@](O)(C[N@H+](C)CC(=O)NC)C(F)(F)F ZINC000929259016 646042776 /nfs/dbraw/zinc/04/27/76/646042776.db2.gz MXJWOGZHZXAWFE-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO CC[C@](O)(C[N@@H+](C)CC(=O)NC)C(F)(F)F ZINC000929259016 646042785 /nfs/dbraw/zinc/04/27/85/646042785.db2.gz MXJWOGZHZXAWFE-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO O=S1(=O)CCC[C@H]1C[NH+]1CCSCC1 ZINC000929275959 646056004 /nfs/dbraw/zinc/05/60/04/646056004.db2.gz GWYBVGSQMMZFJB-VIFPVBQESA-N 1 2 235.374 0.612 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnn(CCF)c1 ZINC000929322435 646079051 /nfs/dbraw/zinc/07/90/51/646079051.db2.gz UIBVPLAWRHNXDP-UHFFFAOYSA-N 1 2 242.298 0.421 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnn(CCF)c1 ZINC000929322435 646079054 /nfs/dbraw/zinc/07/90/54/646079054.db2.gz UIBVPLAWRHNXDP-UHFFFAOYSA-N 1 2 242.298 0.421 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@@H](O)[C@@H](C)O)cs1 ZINC000929342683 646087567 /nfs/dbraw/zinc/08/75/67/646087567.db2.gz GZQJDOYIWLNSEA-PSASIEDQSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@@H](O)[C@@H](C)O)cs1 ZINC000929342683 646087568 /nfs/dbraw/zinc/08/75/68/646087568.db2.gz GZQJDOYIWLNSEA-PSASIEDQSA-N 1 2 244.360 0.879 20 0 BCADLO c1nnc(CN2CC[NH+](C3CC3)CC2)s1 ZINC000929360267 646096673 /nfs/dbraw/zinc/09/66/73/646096673.db2.gz GFDSBNWZFWKSJC-UHFFFAOYSA-N 1 2 224.333 0.818 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000924755247 646103199 /nfs/dbraw/zinc/10/31/99/646103199.db2.gz HYSCNDBKPOVVFE-NJGYIYPDSA-N 1 2 239.197 0.952 20 0 BCADLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ncco1 ZINC000924898074 646127391 /nfs/dbraw/zinc/12/73/91/646127391.db2.gz SZFUPYJODGVWAF-SFYZADRCSA-N 1 2 209.249 0.556 20 0 BCADLO COC/C(C)=C\C[N@H+](C)CCS(C)(=O)=O ZINC000929493801 646148278 /nfs/dbraw/zinc/14/82/78/646148278.db2.gz CGQFBUAFLQIYCM-YHYXMXQVSA-N 1 2 235.349 0.556 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)CCS(C)(=O)=O ZINC000929493801 646148280 /nfs/dbraw/zinc/14/82/80/646148280.db2.gz CGQFBUAFLQIYCM-YHYXMXQVSA-N 1 2 235.349 0.556 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC2(COC2)O1 ZINC000929505230 646157990 /nfs/dbraw/zinc/15/79/90/646157990.db2.gz PXSOTIKLYCCQDS-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC2(COC2)O1 ZINC000929505230 646157992 /nfs/dbraw/zinc/15/79/92/646157992.db2.gz PXSOTIKLYCCQDS-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000929511390 646158623 /nfs/dbraw/zinc/15/86/23/646158623.db2.gz ONVCJAODNODVCR-INJWIWPUSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000929511390 646158627 /nfs/dbraw/zinc/15/86/27/646158627.db2.gz ONVCJAODNODVCR-INJWIWPUSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCn2cnnc2C1 ZINC000929568504 646180589 /nfs/dbraw/zinc/18/05/89/646180589.db2.gz AMESYEXFITZURU-XCVCLJGOSA-N 1 2 222.292 0.686 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCn2cnnc2C1 ZINC000929568504 646180594 /nfs/dbraw/zinc/18/05/94/646180594.db2.gz AMESYEXFITZURU-XCVCLJGOSA-N 1 2 222.292 0.686 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@H](C)c1ncco1 ZINC000925113396 646187882 /nfs/dbraw/zinc/18/78/82/646187882.db2.gz WVVMVSNWBFRUCU-RKDXNWHRSA-N 1 2 214.265 0.723 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929623514 646205861 /nfs/dbraw/zinc/20/58/61/646205861.db2.gz COONVRVMLABFNS-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929623514 646205869 /nfs/dbraw/zinc/20/58/69/646205869.db2.gz COONVRVMLABFNS-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(OC)C2=O)C[C@H](C)O1 ZINC000929620693 646206561 /nfs/dbraw/zinc/20/65/61/646206561.db2.gz UZJFIMGQDRYDIQ-AXFHLTTASA-N 1 2 242.319 0.648 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCN(OC)C2=O)C[C@H](C)O1 ZINC000929620693 646206564 /nfs/dbraw/zinc/20/65/64/646206564.db2.gz UZJFIMGQDRYDIQ-AXFHLTTASA-N 1 2 242.319 0.648 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000925212110 646208907 /nfs/dbraw/zinc/20/89/07/646208907.db2.gz FGQLQQGQINJGTE-VXNVDRBHSA-N 1 2 238.291 0.649 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000925212108 646209710 /nfs/dbraw/zinc/20/97/10/646209710.db2.gz FGQLQQGQINJGTE-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)C1(O)CCCC1 ZINC000929625763 646210842 /nfs/dbraw/zinc/21/08/42/646210842.db2.gz VSHVICSYZSNIDY-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H](O)C1(O)CCCC1 ZINC000929625763 646210844 /nfs/dbraw/zinc/21/08/44/646210844.db2.gz VSHVICSYZSNIDY-NSHDSACASA-N 1 2 239.319 0.508 20 0 BCADLO CCOCCOCC[N@@H+]1CCNC(=O)C1(C)C ZINC000929653710 646223608 /nfs/dbraw/zinc/22/36/08/646223608.db2.gz FMZAADYCQZNQHW-UHFFFAOYSA-N 1 2 244.335 0.250 20 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C[N@H+](Cc1nccs1)C[C@H](O)C1(O)CCC1 ZINC000929769521 646299448 /nfs/dbraw/zinc/29/94/48/646299448.db2.gz SEBDCIYVVDYZPT-VIFPVBQESA-N 1 2 242.344 0.851 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000929816998 646335730 /nfs/dbraw/zinc/33/57/30/646335730.db2.gz DLAXTSBBBLZKDB-QMMMGPOBSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000929816998 646335735 /nfs/dbraw/zinc/33/57/35/646335735.db2.gz DLAXTSBBBLZKDB-QMMMGPOBSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817705 646336834 /nfs/dbraw/zinc/33/68/34/646336834.db2.gz MABMHUHNRVDVQW-ONGXEEELSA-N 1 2 227.260 0.006 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817705 646336837 /nfs/dbraw/zinc/33/68/37/646336837.db2.gz MABMHUHNRVDVQW-ONGXEEELSA-N 1 2 227.260 0.006 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833551 646349788 /nfs/dbraw/zinc/34/97/88/646349788.db2.gz KFZYFHZAGQZJNP-UWVGGRQHSA-N 1 2 243.328 0.475 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833551 646349793 /nfs/dbraw/zinc/34/97/93/646349793.db2.gz KFZYFHZAGQZJNP-UWVGGRQHSA-N 1 2 243.328 0.475 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000929836725 646352748 /nfs/dbraw/zinc/35/27/48/646352748.db2.gz RNPSWNHRDIQCTE-IVZWLZJFSA-N 1 2 233.308 0.000 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000929836725 646352751 /nfs/dbraw/zinc/35/27/51/646352751.db2.gz RNPSWNHRDIQCTE-IVZWLZJFSA-N 1 2 233.308 0.000 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+](CC(=O)OC)C(C)C ZINC000929892207 646368190 /nfs/dbraw/zinc/36/81/90/646368190.db2.gz BCWNCFLCEDPIKV-UXBLZVDNSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+](CC(=O)OC)C(C)C ZINC000929892207 646368198 /nfs/dbraw/zinc/36/81/98/646368198.db2.gz BCWNCFLCEDPIKV-UXBLZVDNSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCC2(C1)OCCO2 ZINC000929964384 646379773 /nfs/dbraw/zinc/37/97/73/646379773.db2.gz KNZGBAHQJRPRPN-JXMROGBWSA-N 1 2 241.287 0.555 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCC2(C1)OCCO2 ZINC000929964384 646379776 /nfs/dbraw/zinc/37/97/76/646379776.db2.gz KNZGBAHQJRPRPN-JXMROGBWSA-N 1 2 241.287 0.555 20 0 BCADLO CC1(C(=O)N2CC[NH+](CCO)CC2)CC=CC1 ZINC000930035234 646404650 /nfs/dbraw/zinc/40/46/50/646404650.db2.gz JTWWLERZRCGHHY-UHFFFAOYSA-N 1 2 238.331 0.479 20 0 BCADLO CC[N@@H+](C/C=C(/C)COC)CCS(C)(=O)=O ZINC000930082388 646424760 /nfs/dbraw/zinc/42/47/60/646424760.db2.gz OISWEQZODORBSU-WDZFZDKYSA-N 1 2 249.376 0.946 20 0 BCADLO CC[N@H+](C/C=C(/C)COC)CCS(C)(=O)=O ZINC000930082388 646424766 /nfs/dbraw/zinc/42/47/66/646424766.db2.gz OISWEQZODORBSU-WDZFZDKYSA-N 1 2 249.376 0.946 20 0 BCADLO O[C@H](C[N@@H+]1CCC[C@H]1C(F)F)C1(O)CCC1 ZINC000930129321 646452313 /nfs/dbraw/zinc/45/23/13/646452313.db2.gz NVBASPBABAQKHZ-DTWKUNHWSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@H](C[N@H+]1CCC[C@H]1C(F)F)C1(O)CCC1 ZINC000930129321 646452317 /nfs/dbraw/zinc/45/23/17/646452317.db2.gz NVBASPBABAQKHZ-DTWKUNHWSA-N 1 2 235.274 0.992 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1CCOC1CC1 ZINC000930143047 646457423 /nfs/dbraw/zinc/45/74/23/646457423.db2.gz OYJODJNDXTWWIA-SECBINFHSA-N 1 2 230.333 0.068 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1CCOC1CC1 ZINC000930143047 646457424 /nfs/dbraw/zinc/45/74/24/646457424.db2.gz OYJODJNDXTWWIA-SECBINFHSA-N 1 2 230.333 0.068 20 0 BCADLO O[C@H](C[N@@H+]1CCC=C(F)C1)C[C@@]1(O)CCOC1 ZINC000930175741 646477438 /nfs/dbraw/zinc/47/74/38/646477438.db2.gz VGLNYJUZKRWOIW-RYUDHWBXSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@H](C[N@H+]1CCC=C(F)C1)C[C@@]1(O)CCOC1 ZINC000930175741 646477444 /nfs/dbraw/zinc/47/74/44/646477444.db2.gz VGLNYJUZKRWOIW-RYUDHWBXSA-N 1 2 245.294 0.448 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000925822216 646495085 /nfs/dbraw/zinc/49/50/85/646495085.db2.gz KAEAAZRQMWIJEO-XLKFXECMSA-N 1 2 218.322 0.582 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000925822216 646495089 /nfs/dbraw/zinc/49/50/89/646495089.db2.gz KAEAAZRQMWIJEO-XLKFXECMSA-N 1 2 218.322 0.582 20 0 BCADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925862437 646514053 /nfs/dbraw/zinc/51/40/53/646514053.db2.gz QNHCACVSAHAYHI-VXNVDRBHSA-N 1 2 240.259 0.620 20 0 BCADLO Cn1ccnc1[C@H]([NH2+][C@@H]1CNOC1)C1CC1 ZINC000925868723 646520414 /nfs/dbraw/zinc/52/04/14/646520414.db2.gz WRMQPJYXSCBXAB-NXEZZACHSA-N 1 2 222.292 0.364 20 0 BCADLO CCS(=O)(CC)=NC(=O)Cc1c[nH+]cn1C ZINC000925884440 646533063 /nfs/dbraw/zinc/53/30/63/646533063.db2.gz WLYGZZKLMRZZAU-UHFFFAOYSA-N 1 2 243.332 0.997 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2ncnn21 ZINC000926108965 646575331 /nfs/dbraw/zinc/57/53/31/646575331.db2.gz DSPMIULPTHKVET-PSASIEDQSA-N 1 2 249.318 0.400 20 0 BCADLO CC(=O)N[C@@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724780605 711613554 /nfs/dbraw/zinc/61/35/54/711613554.db2.gz DRWDQDVPTLYZCA-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO CNC(=S)NCc1nc(C[NH+](C)C)cs1 ZINC000722387972 711753174 /nfs/dbraw/zinc/75/31/74/711753174.db2.gz JMAMVGLCVWZMGR-UHFFFAOYSA-N 1 2 244.389 0.799 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880418744 711772818 /nfs/dbraw/zinc/77/28/18/711772818.db2.gz DLDYNXCWYSREFP-ONGXEEELSA-N 1 2 213.277 0.252 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880418744 711772820 /nfs/dbraw/zinc/77/28/20/711772820.db2.gz DLDYNXCWYSREFP-ONGXEEELSA-N 1 2 213.277 0.252 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CC1 ZINC001076849347 711809286 /nfs/dbraw/zinc/80/92/86/711809286.db2.gz GGOHQIYXYOAIFI-FBIMIBRVSA-N 1 2 244.310 0.163 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913772649 711851737 /nfs/dbraw/zinc/85/17/37/711851737.db2.gz JZJYXGBQEPJBLT-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CO ZINC000359671420 711957732 /nfs/dbraw/zinc/95/77/32/711957732.db2.gz QRTFUFMGPFXSOX-SNVBAGLBSA-N 1 2 247.335 0.392 20 0 BCADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CO ZINC000359671420 711957735 /nfs/dbraw/zinc/95/77/35/711957735.db2.gz QRTFUFMGPFXSOX-SNVBAGLBSA-N 1 2 247.335 0.392 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC001032846704 711961732 /nfs/dbraw/zinc/96/17/32/711961732.db2.gz FZTUHQBEHLQGMO-SECBINFHSA-N 1 2 240.332 0.591 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001032846704 711961733 /nfs/dbraw/zinc/96/17/33/711961733.db2.gz FZTUHQBEHLQGMO-SECBINFHSA-N 1 2 240.332 0.591 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(F)n1 ZINC000700246544 711989107 /nfs/dbraw/zinc/98/91/07/711989107.db2.gz ZHZAHWMMSBURKR-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cccc(F)n1 ZINC000700246544 711989108 /nfs/dbraw/zinc/98/91/08/711989108.db2.gz ZHZAHWMMSBURKR-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO CNc1cc(NC[C@](C)(CO)OC)[nH+]cn1 ZINC000705708738 712134372 /nfs/dbraw/zinc/13/43/72/712134372.db2.gz DPOFXJJBPAQNIR-SNVBAGLBSA-N 1 2 226.280 0.328 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000709691978 712215451 /nfs/dbraw/zinc/21/54/51/712215451.db2.gz RLIQWETTZIGPMT-VXNVDRBHSA-N 1 2 209.249 0.369 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cn(C)cn1 ZINC000709941490 712234235 /nfs/dbraw/zinc/23/42/35/712234235.db2.gz ZZFKUUJSUJSGSQ-VIFPVBQESA-N 1 2 236.319 0.597 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000379666969 712391912 /nfs/dbraw/zinc/39/19/12/712391912.db2.gz YESYCCRWRPXBDH-BXKUYDPTSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@H]1C(=O)NC ZINC000379666969 712391913 /nfs/dbraw/zinc/39/19/13/712391913.db2.gz YESYCCRWRPXBDH-BXKUYDPTSA-N 1 2 240.303 0.316 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cnn(C)c1Cl ZINC000712488169 712431423 /nfs/dbraw/zinc/43/14/23/712431423.db2.gz OCOHMVMDVQHGBL-UHFFFAOYSA-N 1 2 246.698 0.183 20 0 BCADLO COC(=O)c1occc1CNC[C@@H]1CC[N@@H+]1C ZINC000712593486 712435225 /nfs/dbraw/zinc/43/52/25/712435225.db2.gz GFSZZTMFUDSJFT-JTQLQIEISA-N 1 2 238.287 0.860 20 0 BCADLO COC(=O)c1occc1CNC[C@@H]1CC[N@H+]1C ZINC000712593486 712435227 /nfs/dbraw/zinc/43/52/27/712435227.db2.gz GFSZZTMFUDSJFT-JTQLQIEISA-N 1 2 238.287 0.860 20 0 BCADLO COC(=O)c1occc1CNC[C@H]1CC[N@@H+]1C ZINC000712593487 712435524 /nfs/dbraw/zinc/43/55/24/712435524.db2.gz GFSZZTMFUDSJFT-SNVBAGLBSA-N 1 2 238.287 0.860 20 0 BCADLO COC(=O)c1occc1CNC[C@H]1CC[N@H+]1C ZINC000712593487 712435526 /nfs/dbraw/zinc/43/55/26/712435526.db2.gz GFSZZTMFUDSJFT-SNVBAGLBSA-N 1 2 238.287 0.860 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cn(C)nn1 ZINC000715856169 712537298 /nfs/dbraw/zinc/53/72/98/712537298.db2.gz ZHZGVHGKWBXGCN-BDAKNGLRSA-N 1 2 237.307 0.087 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC000716842386 712578181 /nfs/dbraw/zinc/57/81/81/712578181.db2.gz XXDZSZWNYWODCM-MNOVXSKESA-N 1 2 239.319 0.939 20 0 BCADLO CCCNc1cc(NC[C@H](O)[C@@H](C)O)nc[nH+]1 ZINC000717333235 712649002 /nfs/dbraw/zinc/64/90/02/712649002.db2.gz VNDIELRMYAZSAJ-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CCCNc1cc(NC[C@H](O)[C@@H](C)O)[nH+]cn1 ZINC000717333235 712649003 /nfs/dbraw/zinc/64/90/03/712649003.db2.gz VNDIELRMYAZSAJ-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CNc1cc(N[C@H](CO)CC(F)F)nc[nH+]1 ZINC000717829812 712682439 /nfs/dbraw/zinc/68/24/39/712682439.db2.gz LELCLRLEANKTKM-LURJTMIESA-N 1 2 232.234 0.946 20 0 BCADLO CNc1cc(N[C@H](CO)CC(F)F)[nH+]cn1 ZINC000717829812 712682442 /nfs/dbraw/zinc/68/24/42/712682442.db2.gz LELCLRLEANKTKM-LURJTMIESA-N 1 2 232.234 0.946 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000389892245 712690850 /nfs/dbraw/zinc/69/08/50/712690850.db2.gz ALDOASOXYXRUSY-XHNCKOQMSA-N 1 2 213.277 0.705 20 0 BCADLO CC(C)n1ncnc1C[NH2+][C@]12C[C@H]1COC2 ZINC000717976162 712734793 /nfs/dbraw/zinc/73/47/93/712734793.db2.gz JTJYAVXYDGXSND-ONGXEEELSA-N 1 2 222.292 0.738 20 0 BCADLO CN1CC[NH+](CCc2ccns2)CC1 ZINC000719814822 712822980 /nfs/dbraw/zinc/82/29/80/712822980.db2.gz GDCGWHINNXMGBD-UHFFFAOYSA-N 1 2 211.334 0.933 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001037990153 712897057 /nfs/dbraw/zinc/89/70/57/712897057.db2.gz GQEBSPBPZAYICI-MDHMXLOGSA-N 1 2 202.685 0.949 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001037990153 712897058 /nfs/dbraw/zinc/89/70/58/712897058.db2.gz GQEBSPBPZAYICI-MDHMXLOGSA-N 1 2 202.685 0.949 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001037990151 712897183 /nfs/dbraw/zinc/89/71/83/712897183.db2.gz GQEBSPBPZAYICI-HDMKULJXSA-N 1 2 202.685 0.949 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001037990151 712897184 /nfs/dbraw/zinc/89/71/84/712897184.db2.gz GQEBSPBPZAYICI-HDMKULJXSA-N 1 2 202.685 0.949 20 0 BCADLO COC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381498952 710647814 /nfs/dbraw/zinc/64/78/14/710647814.db2.gz CGSNGNXNXSPPSC-UHFFFAOYSA-N 1 2 224.260 0.962 20 0 BCADLO Cn1cc(CCC[NH2+][C@H]2CCOC2=O)cn1 ZINC000381600193 710660070 /nfs/dbraw/zinc/66/00/70/710660070.db2.gz NFWNXJTWGSDDTI-JTQLQIEISA-N 1 2 223.276 0.258 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001018375361 710665588 /nfs/dbraw/zinc/66/55/88/710665588.db2.gz HQYYNGJAWBGTAZ-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO C[C@H](O)[C@H](O)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724388648 710739383 /nfs/dbraw/zinc/73/93/83/710739383.db2.gz PYNRIYOIHHIDCT-DTWKUNHWSA-N 1 2 242.319 0.803 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC001042470118 710786407 /nfs/dbraw/zinc/78/64/07/710786407.db2.gz SUGWEPGIGVFFQP-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C(=O)[C@H]1CC=CCC1)C1C[NH+](CCO)C1 ZINC001042467111 710786561 /nfs/dbraw/zinc/78/65/61/710786561.db2.gz YOHMMJRTEKXLFJ-NSHDSACASA-N 1 2 238.331 0.478 20 0 BCADLO Cc1ccncc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042567910 710793511 /nfs/dbraw/zinc/79/35/11/710793511.db2.gz PSBAXGGEFYRGQP-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO CCn1ncc(C(=O)N(C)C2C[NH+](CC)C2)n1 ZINC001042690716 710797231 /nfs/dbraw/zinc/79/72/31/710797231.db2.gz MPJPFHLPASSXOV-UHFFFAOYSA-N 1 2 237.307 0.074 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnn3c2CCC3)C1 ZINC001042867004 710799946 /nfs/dbraw/zinc/79/99/46/710799946.db2.gz XMZAUAGDGXQKCM-UHFFFAOYSA-N 1 2 248.330 0.605 20 0 BCADLO CN(C(=O)C1(C2CC2)CC1)C1C[NH+](CCO)C1 ZINC001043013504 710802967 /nfs/dbraw/zinc/80/29/67/710802967.db2.gz CCKXGYKOWGOZHR-UHFFFAOYSA-N 1 2 238.331 0.312 20 0 BCADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001043201964 710804363 /nfs/dbraw/zinc/80/43/63/710804363.db2.gz QJUVRWIQZRJIEW-UHFFFAOYSA-N 1 2 249.318 0.527 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cncn2C)C1 ZINC001043239030 710806010 /nfs/dbraw/zinc/80/60/10/710806010.db2.gz ZKJVSJPQIHNLND-UHFFFAOYSA-N 1 2 222.292 0.196 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001043507520 710809184 /nfs/dbraw/zinc/80/91/84/710809184.db2.gz RUOZKIDYEBVLRI-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)C1C[NH+](CCO)C1 ZINC001043599349 710810253 /nfs/dbraw/zinc/81/02/53/710810253.db2.gz MOVIFIXBJCLOHW-URLYPYJESA-N 1 2 238.331 0.167 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2conc2C)C1 ZINC001043728572 710812118 /nfs/dbraw/zinc/81/21/18/710812118.db2.gz VPDJFODCIDVRLI-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001043762355 710812216 /nfs/dbraw/zinc/81/22/16/710812216.db2.gz XSZXGQKYIKPHMW-NXEZZACHSA-N 1 2 226.320 0.167 20 0 BCADLO CN(C(=O)C1CC2(CC2)C1)C1C[NH+](CCO)C1 ZINC001043821117 710814766 /nfs/dbraw/zinc/81/47/66/710814766.db2.gz AVVIHQFZBPUKSF-UHFFFAOYSA-N 1 2 238.331 0.312 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001044072669 710818846 /nfs/dbraw/zinc/81/88/46/710818846.db2.gz PDCFRCWKRDAMMN-UHFFFAOYSA-N 1 2 224.264 0.234 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2nocc2C)C1 ZINC001044147492 710820587 /nfs/dbraw/zinc/82/05/87/710820587.db2.gz ZKIYVZMDFYNHMD-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO CCc1ncncc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001044305274 710823677 /nfs/dbraw/zinc/82/36/77/710823677.db2.gz JIRNXBJMSQOCQM-UHFFFAOYSA-N 1 2 248.330 0.815 20 0 BCADLO c1cc(C[NH2+][C@H]2CCO[C@]23CCOC3)[nH]n1 ZINC000903092503 710891421 /nfs/dbraw/zinc/89/14/21/710891421.db2.gz KSVJMGMPBQOBRM-QWRGUYRKSA-N 1 2 223.276 0.447 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C(C)(C)F)CCO2 ZINC001053120031 710919480 /nfs/dbraw/zinc/91/94/80/710919480.db2.gz KMYMYEYWRPJZSY-UHFFFAOYSA-N 1 2 244.310 0.668 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C1CC1)CCO2 ZINC001053117160 710919838 /nfs/dbraw/zinc/91/98/38/710919838.db2.gz SYPMVTIMWXCMLU-UHFFFAOYSA-N 1 2 224.304 0.330 20 0 BCADLO CCC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053707805 710920644 /nfs/dbraw/zinc/92/06/44/710920644.db2.gz PMXSAKOLUCVEIR-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CCC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053708054 710920699 /nfs/dbraw/zinc/92/06/99/710920699.db2.gz UEVTWBPQTQYCQN-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO CCC(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053708525 710920830 /nfs/dbraw/zinc/92/08/30/710920830.db2.gz FCMQNNKPAJOXQX-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO O=C(NC[C@@H]1COCC[N@H+]1CCCF)C1CC1 ZINC001050783473 710955164 /nfs/dbraw/zinc/95/51/64/710955164.db2.gz MZQFUZGWWJSTKN-LLVKDONJSA-N 1 2 244.310 0.573 20 0 BCADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCF)C1CC1 ZINC001050783473 710955165 /nfs/dbraw/zinc/95/51/65/710955165.db2.gz MZQFUZGWWJSTKN-LLVKDONJSA-N 1 2 244.310 0.573 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051142532 710955554 /nfs/dbraw/zinc/95/55/54/710955554.db2.gz OQAQNZUATIIIJH-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051142532 710955555 /nfs/dbraw/zinc/95/55/55/710955555.db2.gz OQAQNZUATIIIJH-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001052130883 710960278 /nfs/dbraw/zinc/96/02/78/710960278.db2.gz FOLUEOJGVJXFSO-JTQLQIEISA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001052130883 710960281 /nfs/dbraw/zinc/96/02/81/710960281.db2.gz FOLUEOJGVJXFSO-JTQLQIEISA-N 1 2 238.291 0.560 20 0 BCADLO Nc1ccc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000386267672 711026687 /nfs/dbraw/zinc/02/66/87/711026687.db2.gz YBKOLMWQQHCIGE-UHFFFAOYSA-N 1 2 232.243 0.717 20 0 BCADLO CNc1cc(N2C[C@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000388315222 711058898 /nfs/dbraw/zinc/05/88/98/711058898.db2.gz YAGDJLVSQMKWRY-YUMQZZPRSA-N 1 2 208.265 0.335 20 0 BCADLO CNc1cc(N2C[C@H](O)[C@@H](C)C2)[nH+]cn1 ZINC000388315222 711058903 /nfs/dbraw/zinc/05/89/03/711058903.db2.gz YAGDJLVSQMKWRY-YUMQZZPRSA-N 1 2 208.265 0.335 20 0 BCADLO COCCNC(=S)NCc1c[nH+]cn1C ZINC000388544423 711062570 /nfs/dbraw/zinc/06/25/70/711062570.db2.gz FDOCHISUXFPHHQ-UHFFFAOYSA-N 1 2 228.321 0.031 20 0 BCADLO CCn1cc(CNc2cc(NC)[nH+]cn2)cn1 ZINC000390348882 711113362 /nfs/dbraw/zinc/11/33/62/711113362.db2.gz YERACJCNAWQJLX-UHFFFAOYSA-N 1 2 232.291 0.769 20 0 BCADLO CCn1cc(CNc2cc(NC)nc[nH+]2)cn1 ZINC000390348882 711113364 /nfs/dbraw/zinc/11/33/64/711113364.db2.gz YERACJCNAWQJLX-UHFFFAOYSA-N 1 2 232.291 0.769 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cnn(C)n1 ZINC000390483589 711120297 /nfs/dbraw/zinc/12/02/97/711120297.db2.gz MKCTZLGREKVVHH-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnn(C)n1 ZINC000390483589 711120298 /nfs/dbraw/zinc/12/02/98/711120298.db2.gz MKCTZLGREKVVHH-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)C(N)=O ZINC000393581365 711164583 /nfs/dbraw/zinc/16/45/83/711164583.db2.gz ZGZRNHFUUGNTBB-RXMQYKEDSA-N 1 2 216.672 0.037 20 0 BCADLO Cn1c(Cl)cnc1C[NH2+]C[C@H]1COCCN1 ZINC000393616390 711166558 /nfs/dbraw/zinc/16/65/58/711166558.db2.gz GVLITMCMPOOTEU-QMMMGPOBSA-N 1 2 244.726 0.152 20 0 BCADLO Cn1nncc1CNc1[nH+]cnc2c1cnn2C ZINC000394968007 711199497 /nfs/dbraw/zinc/19/94/97/711199497.db2.gz UHTDIGDUQNVLAX-UHFFFAOYSA-N 1 2 244.262 0.104 20 0 BCADLO COCC[NH2+]Cc1nc(Cn2cccn2)no1 ZINC000395949455 711217474 /nfs/dbraw/zinc/21/74/74/711217474.db2.gz JWAZGIIRECPFHP-UHFFFAOYSA-N 1 2 237.263 0.050 20 0 BCADLO CNc1cc(NC[C@](C)(O)C2CC2)[nH+]cn1 ZINC000381254220 710613392 /nfs/dbraw/zinc/61/33/92/710613392.db2.gz QHIBVWHHPKWSCI-NSHDSACASA-N 1 2 222.292 0.513 20 0 BCADLO CCCNc1cc(NCCn2cncn2)nc[nH+]1 ZINC000381359067 710628701 /nfs/dbraw/zinc/62/87/01/710628701.db2.gz GUBVSDFKKLXMAE-UHFFFAOYSA-N 1 2 247.306 0.424 20 0 BCADLO CCCNc1cc(NCCn2cncn2)[nH+]cn1 ZINC000381359067 710628703 /nfs/dbraw/zinc/62/87/03/710628703.db2.gz GUBVSDFKKLXMAE-UHFFFAOYSA-N 1 2 247.306 0.424 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042402295 710780879 /nfs/dbraw/zinc/78/08/79/710780879.db2.gz BAOYFCBYORVTDQ-VIFPVBQESA-N 1 2 246.326 0.912 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccccn2)C1 ZINC001042411289 710781307 /nfs/dbraw/zinc/78/13/07/710781307.db2.gz BWIDJRSWPYTZHG-JTQLQIEISA-N 1 2 249.314 0.219 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2nccc(C)n2)C1 ZINC001046085488 710845177 /nfs/dbraw/zinc/84/51/77/710845177.db2.gz ALKSVZGQUUZLFO-ZDUSSCGKSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001046085488 710845185 /nfs/dbraw/zinc/84/51/85/710845185.db2.gz ALKSVZGQUUZLFO-ZDUSSCGKSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@]1(NC(=O)c2ccon2)CC[N@H+](CCF)C1 ZINC001046170918 710852089 /nfs/dbraw/zinc/85/20/89/710852089.db2.gz IXRWESIUHGYKSP-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO C[C@]1(NC(=O)c2ccon2)CC[N@@H+](CCF)C1 ZINC001046170918 710852092 /nfs/dbraw/zinc/85/20/92/710852092.db2.gz IXRWESIUHGYKSP-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO O=C(C[NH2+][C@@H](c1ncccn1)C1CC1)N1CCC1 ZINC000932364820 711459002 /nfs/dbraw/zinc/45/90/02/711459002.db2.gz ZIDVULDUGUZFGT-GFCCVEGCSA-N 1 2 246.314 0.750 20 0 BCADLO NC(=O)NC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005153 711561112 /nfs/dbraw/zinc/56/11/12/711561112.db2.gz WAMWCIKZOZHFDS-UHFFFAOYSA-N 1 2 237.259 0.439 20 0 BCADLO NC(=O)NC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005153 711561114 /nfs/dbraw/zinc/56/11/14/711561114.db2.gz WAMWCIKZOZHFDS-UHFFFAOYSA-N 1 2 237.259 0.439 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@H](CO)COC)n1 ZINC000926337298 711572873 /nfs/dbraw/zinc/57/28/73/711572873.db2.gz KPWYSKTULFXYHE-WCBMZHEXSA-N 1 2 242.323 0.264 20 0 BCADLO CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)OC ZINC000724654980 711606373 /nfs/dbraw/zinc/60/63/73/711606373.db2.gz YXKLHMCJPNEMKU-YTWAJWBKSA-N 1 2 243.303 0.332 20 0 BCADLO Cn1nccc1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724693990 711608965 /nfs/dbraw/zinc/60/89/65/711608965.db2.gz YXYRJEODIKXPFO-ZETCQYMHSA-N 1 2 232.234 0.019 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724789847 711614703 /nfs/dbraw/zinc/61/47/03/711614703.db2.gz ASSLDSHBXVFEQQ-YVNMAJEFSA-N 1 2 207.277 0.721 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724789846 711615074 /nfs/dbraw/zinc/61/50/74/711615074.db2.gz ASSLDSHBXVFEQQ-HSOILSAZSA-N 1 2 207.277 0.721 20 0 BCADLO CNC(=O)C1([NH2+]Cc2cocn2)CCCC1 ZINC000309591743 711648747 /nfs/dbraw/zinc/64/87/47/711648747.db2.gz VAYAZAUGALHEEO-UHFFFAOYSA-N 1 2 223.276 0.823 20 0 BCADLO COC(=O)c1ncn(C[N@H+](C)C2CC2)n1 ZINC000066350246 711671982 /nfs/dbraw/zinc/67/19/82/711671982.db2.gz PWNMMVFTHGBFDY-UHFFFAOYSA-N 1 2 210.237 0.116 20 0 BCADLO COC(=O)c1ncn(C[N@@H+](C)C2CC2)n1 ZINC000066350246 711671985 /nfs/dbraw/zinc/67/19/85/711671985.db2.gz PWNMMVFTHGBFDY-UHFFFAOYSA-N 1 2 210.237 0.116 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782611818 711677374 /nfs/dbraw/zinc/67/73/74/711677374.db2.gz FIIRIZDLGYRUMP-TVQRCGJNSA-N 1 2 249.314 0.559 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782611818 711677375 /nfs/dbraw/zinc/67/73/75/711677375.db2.gz FIIRIZDLGYRUMP-TVQRCGJNSA-N 1 2 249.314 0.559 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001018383508 711682441 /nfs/dbraw/zinc/68/24/41/711682441.db2.gz FRDPWZRHPRDTGB-XCBNKYQSSA-N 1 2 238.291 0.649 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000313053943 711712826 /nfs/dbraw/zinc/71/28/26/711712826.db2.gz SKBKXBJGIZWKSB-QMMMGPOBSA-N 1 2 210.281 0.330 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H](CO)O1 ZINC000893418385 711720467 /nfs/dbraw/zinc/72/04/67/711720467.db2.gz WZJRIEYQCZJNND-VHSXEESVSA-N 1 2 248.286 0.315 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H](CO)O1 ZINC000893418388 711720726 /nfs/dbraw/zinc/72/07/26/711720726.db2.gz WZJRIEYQCZJNND-ZJUUUORDSA-N 1 2 248.286 0.315 20 0 BCADLO C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC000336290766 711733083 /nfs/dbraw/zinc/73/30/83/711733083.db2.gz FYRYHZNWLATFPU-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCOC[C@@H](C)C1 ZINC000399521251 711749808 /nfs/dbraw/zinc/74/98/08/711749808.db2.gz JZFRQLNCSZGSQY-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCOC[C@@H](C)C1 ZINC000399521251 711749810 /nfs/dbraw/zinc/74/98/10/711749810.db2.gz JZFRQLNCSZGSQY-QMMMGPOBSA-N 1 2 238.291 0.540 20 0 BCADLO CN(C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722390322 711753427 /nfs/dbraw/zinc/75/34/27/711753427.db2.gz KHWLSYJTJCLFCB-UHFFFAOYSA-N 1 2 242.348 0.976 20 0 BCADLO Cn1c[nH+]c(CCN2C(=O)[C@H]3CCCN3C2=O)c1 ZINC000924925830 711766321 /nfs/dbraw/zinc/76/63/21/711766321.db2.gz VMCDHHGUWPBEHK-SNVBAGLBSA-N 1 2 248.286 0.389 20 0 BCADLO CC(C)C[C@@H]1C[N@H+](C)CCN1CCO ZINC000108349244 711767314 /nfs/dbraw/zinc/76/73/14/711767314.db2.gz UNMOVUANBGJHNG-LLVKDONJSA-N 1 2 200.326 0.641 20 0 BCADLO CC(C)C[C@@H]1C[N@@H+](C)CCN1CCO ZINC000108349244 711767315 /nfs/dbraw/zinc/76/73/15/711767315.db2.gz UNMOVUANBGJHNG-LLVKDONJSA-N 1 2 200.326 0.641 20 0 BCADLO CC(=O)c1cncc(C(=O)NCC[NH+]2CCC2)c1 ZINC000897170489 711784729 /nfs/dbraw/zinc/78/47/29/711784729.db2.gz YZAWHFVKHAUISL-UHFFFAOYSA-N 1 2 247.298 0.720 20 0 BCADLO O[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1F ZINC000897375277 711788402 /nfs/dbraw/zinc/78/84/02/711788402.db2.gz PFEXQMXBTQJACG-SCZZXKLOSA-N 1 2 236.250 0.638 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898507218 711801824 /nfs/dbraw/zinc/80/18/24/711801824.db2.gz MNXKZOJCPWRVDC-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898507218 711801825 /nfs/dbraw/zinc/80/18/25/711801825.db2.gz MNXKZOJCPWRVDC-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CC1 ZINC001076849347 711809285 /nfs/dbraw/zinc/80/92/85/711809285.db2.gz GGOHQIYXYOAIFI-FBIMIBRVSA-N 1 2 244.310 0.163 20 0 BCADLO CC(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001042393700 711818683 /nfs/dbraw/zinc/81/86/83/711818683.db2.gz VSCSMAPKBINKEX-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913474573 711822472 /nfs/dbraw/zinc/82/24/72/711822472.db2.gz DUXKVEVXCFDLQQ-JTQLQIEISA-N 1 2 222.292 0.303 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030104864 711826269 /nfs/dbraw/zinc/82/62/69/711826269.db2.gz SZZHCMFBMDKUJD-SECBINFHSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030122820 711826765 /nfs/dbraw/zinc/82/67/65/711826765.db2.gz FNZSDWCORZFFGC-MRVPVSSYSA-N 1 2 240.282 0.572 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](C)COC ZINC000045695480 711827292 /nfs/dbraw/zinc/82/72/92/711827292.db2.gz OUIWDDXQDGNDKD-IUCAKERBSA-N 1 2 203.282 0.810 20 0 BCADLO CC1(C)C(C(=O)NC2C[NH+](CCO)C2)C1(C)C ZINC001030193593 711827774 /nfs/dbraw/zinc/82/77/74/711827774.db2.gz ABFRLDZBCJHWTB-UHFFFAOYSA-N 1 2 240.347 0.461 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001030568004 711837353 /nfs/dbraw/zinc/83/73/53/711837353.db2.gz SUWATTIBEWLEBE-AXFHLTTASA-N 1 2 238.331 0.215 20 0 BCADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CO ZINC000359671417 711958096 /nfs/dbraw/zinc/95/80/96/711958096.db2.gz QRTFUFMGPFXSOX-JTQLQIEISA-N 1 2 247.335 0.392 20 0 BCADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CO ZINC000359671417 711958097 /nfs/dbraw/zinc/95/80/97/711958097.db2.gz QRTFUFMGPFXSOX-JTQLQIEISA-N 1 2 247.335 0.392 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001032844842 711961387 /nfs/dbraw/zinc/96/13/87/711961387.db2.gz WWKILSGGGKIKGK-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001032844842 711961389 /nfs/dbraw/zinc/96/13/89/711961389.db2.gz WWKILSGGGKIKGK-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001032844851 711961498 /nfs/dbraw/zinc/96/14/98/711961498.db2.gz XINICZUDYZJSMN-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001032844851 711961499 /nfs/dbraw/zinc/96/14/99/711961499.db2.gz XINICZUDYZJSMN-LLVKDONJSA-N 1 2 236.319 0.473 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2nonc2C)C1 ZINC001044369355 711970746 /nfs/dbraw/zinc/97/07/46/711970746.db2.gz LKDOLCLQDWLBCO-UHFFFAOYSA-N 1 2 224.264 0.154 20 0 BCADLO COc1cncc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000700078094 711985427 /nfs/dbraw/zinc/98/54/27/711985427.db2.gz KEYNXHNHSMZRIB-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CNc1cc(N2CC[C@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000700452834 711995361 /nfs/dbraw/zinc/99/53/61/711995361.db2.gz VQFDISFJXJHWAR-UWVGGRQHSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2CC[C@H](C)[C@H](CO)C2)[nH+]cn1 ZINC000700452834 711995364 /nfs/dbraw/zinc/99/53/64/711995364.db2.gz VQFDISFJXJHWAR-UWVGGRQHSA-N 1 2 236.319 0.973 20 0 BCADLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033520225 711998869 /nfs/dbraw/zinc/99/88/69/711998869.db2.gz AINNEHAZTSAMSH-MRVPVSSYSA-N 1 2 242.254 0.185 20 0 BCADLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033520225 711998872 /nfs/dbraw/zinc/99/88/72/711998872.db2.gz AINNEHAZTSAMSH-MRVPVSSYSA-N 1 2 242.254 0.185 20 0 BCADLO C[NH+]1CCN(C(=O)c2nccnc2Cl)CC1 ZINC000700992449 712010845 /nfs/dbraw/zinc/01/08/45/712010845.db2.gz OCXLRUXAHHMYRF-UHFFFAOYSA-N 1 2 240.694 0.518 20 0 BCADLO CCc1nnc(C[NH2+][C@H](CO)COC)s1 ZINC000702677641 712059550 /nfs/dbraw/zinc/05/95/50/712059550.db2.gz LFACXJPKDQPLAZ-SSDOTTSWSA-N 1 2 231.321 0.197 20 0 BCADLO Cc1nc(NC2CCC(C)(O)CC2)nc(N)[nH+]1 ZINC000703159353 712066272 /nfs/dbraw/zinc/06/62/72/712066272.db2.gz VDQHEJWSYKJBTO-UHFFFAOYSA-N 1 2 237.307 0.868 20 0 BCADLO Cc1nc(N)nc(NC2CCC(C)(O)CC2)[nH+]1 ZINC000703159353 712066273 /nfs/dbraw/zinc/06/62/73/712066273.db2.gz VDQHEJWSYKJBTO-UHFFFAOYSA-N 1 2 237.307 0.868 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000705238976 712124874 /nfs/dbraw/zinc/12/48/74/712124874.db2.gz KMYNJYXUJXYCOR-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000705238976 712124875 /nfs/dbraw/zinc/12/48/75/712124875.db2.gz KMYNJYXUJXYCOR-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Fc1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000707091980 712164798 /nfs/dbraw/zinc/16/47/98/712164798.db2.gz PLQXQTIDYHMCOA-UHFFFAOYSA-N 1 2 219.223 0.874 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)n1 ZINC000708707530 712197327 /nfs/dbraw/zinc/19/73/27/712197327.db2.gz MRDPGYQPVGQRTP-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO CN(c1cc[nH+]cc1F)[C@@H]1COC[C@H]1O ZINC000709323708 712219898 /nfs/dbraw/zinc/21/98/98/712219898.db2.gz ABFRBENYCAGBLW-NXEZZACHSA-N 1 2 212.224 0.417 20 0 BCADLO C[C@H]([NH2+]Cc1nccn1C1CC1)C(=O)N(C)C ZINC000711799802 712331560 /nfs/dbraw/zinc/33/15/60/712331560.db2.gz LXAHSFFTVRWKJI-VIFPVBQESA-N 1 2 236.319 0.784 20 0 BCADLO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000378660208 712356430 /nfs/dbraw/zinc/35/64/30/712356430.db2.gz ALXNJQLGHWWSMX-GUBZILKMSA-N 1 2 213.277 0.849 20 0 BCADLO CC[C@H]([NH2+][C@H](CO)C1CC1)C(=O)OC ZINC000379593422 712389608 /nfs/dbraw/zinc/38/96/08/712389608.db2.gz BRWNNMAAYOXNNR-DTWKUNHWSA-N 1 2 201.266 0.299 20 0 BCADLO CCN1CC[C@H]1C[NH2+]Cc1csnn1 ZINC000712529940 712441753 /nfs/dbraw/zinc/44/17/53/712441753.db2.gz OCOSAUFDBYBRSW-VIFPVBQESA-N 1 2 212.322 0.722 20 0 BCADLO Cc1cc(CNC[C@@H]2CC[N@@H+]2C)nn1C ZINC000712557243 712444774 /nfs/dbraw/zinc/44/47/74/712444774.db2.gz MJGZYYICUHEWMP-NSHDSACASA-N 1 2 208.309 0.522 20 0 BCADLO Cc1cc(CNC[C@@H]2CC[N@H+]2C)nn1C ZINC000712557243 712444775 /nfs/dbraw/zinc/44/47/75/712444775.db2.gz MJGZYYICUHEWMP-NSHDSACASA-N 1 2 208.309 0.522 20 0 BCADLO CCc1nn(C)cc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715876748 712538312 /nfs/dbraw/zinc/53/83/12/712538312.db2.gz IOVWCNHPARVPQN-SECBINFHSA-N 1 2 248.334 0.962 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@@H+]1C)c1cn(C)nn1 ZINC000715883879 712539592 /nfs/dbraw/zinc/53/95/92/712539592.db2.gz NMPQJXTZUBYDJU-BDAKNGLRSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@H+]1C)c1cn(C)nn1 ZINC000715883879 712539593 /nfs/dbraw/zinc/53/95/93/712539593.db2.gz NMPQJXTZUBYDJU-BDAKNGLRSA-N 1 2 209.297 0.170 20 0 BCADLO CC(C)n1cc(C[NH2+]CC2OCCCO2)nn1 ZINC000716331184 712555125 /nfs/dbraw/zinc/55/51/25/712555125.db2.gz NFUUIRJPMUFMQT-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2cocn2)CN1CC1CC1 ZINC000716759807 712572267 /nfs/dbraw/zinc/57/22/67/712572267.db2.gz WLBSZWDXNBCSFX-SNVBAGLBSA-N 1 2 235.287 0.775 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830377689 712595125 /nfs/dbraw/zinc/59/51/25/712595125.db2.gz SBZIWPZHRYKYAU-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1CC1 ZINC000864696227 712620832 /nfs/dbraw/zinc/62/08/32/712620832.db2.gz CYXMQBVINZLQGD-UPHRSURJSA-N 1 2 224.304 0.401 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1 ZINC000880523641 712633505 /nfs/dbraw/zinc/63/35/05/712633505.db2.gz JQCKQSHVRMVCEO-ZYHUDNBSSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1 ZINC000880523641 712633507 /nfs/dbraw/zinc/63/35/07/712633507.db2.gz JQCKQSHVRMVCEO-ZYHUDNBSSA-N 1 2 248.330 0.521 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCn2cccc2C1 ZINC000932523562 712717663 /nfs/dbraw/zinc/71/76/63/712717663.db2.gz CXWXOTUVIAQAOF-GFCCVEGCSA-N 1 2 222.288 0.644 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCn2cccc2C1 ZINC000932523562 712717665 /nfs/dbraw/zinc/71/76/65/712717665.db2.gz CXWXOTUVIAQAOF-GFCCVEGCSA-N 1 2 222.288 0.644 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000718161511 712750308 /nfs/dbraw/zinc/75/03/08/712750308.db2.gz RIABTOWXIHVLMZ-DTORHVGOSA-N 1 2 220.276 0.601 20 0 BCADLO CNc1cc(N2C[C@@H]3COC[C@@H]3C2)[nH+]cn1 ZINC000718161511 712750310 /nfs/dbraw/zinc/75/03/10/712750310.db2.gz RIABTOWXIHVLMZ-DTORHVGOSA-N 1 2 220.276 0.601 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000718560761 712772527 /nfs/dbraw/zinc/77/25/27/712772527.db2.gz UFIYKMOYOYHGEC-WCBMZHEXSA-N 1 2 235.287 0.705 20 0 BCADLO COCC[N@H+](CCO)Cc1nocc1C ZINC000720362655 712835605 /nfs/dbraw/zinc/83/56/05/712835605.db2.gz HCEQIZZXYBOREQ-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO COCC[N@@H+](CCO)Cc1nocc1C ZINC000720362655 712835606 /nfs/dbraw/zinc/83/56/06/712835606.db2.gz HCEQIZZXYBOREQ-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO CCC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038679430 712883376 /nfs/dbraw/zinc/88/33/76/712883376.db2.gz LKBJCVXLHCUTFD-MRVPVSSYSA-N 1 2 240.282 0.763 20 0 BCADLO CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038679430 712883378 /nfs/dbraw/zinc/88/33/78/712883378.db2.gz LKBJCVXLHCUTFD-MRVPVSSYSA-N 1 2 240.282 0.763 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001037985264 712895435 /nfs/dbraw/zinc/89/54/35/712895435.db2.gz IMJVCHLJIWXFPX-LLVKDONJSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001037985264 712895437 /nfs/dbraw/zinc/89/54/37/712895437.db2.gz IMJVCHLJIWXFPX-LLVKDONJSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001037982485 712896117 /nfs/dbraw/zinc/89/61/17/712896117.db2.gz YWYUYSMKARQSBN-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001037982485 712896119 /nfs/dbraw/zinc/89/61/19/712896119.db2.gz YWYUYSMKARQSBN-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCn1c(C)nnc1C[NH+]1CCC(C)(O)CC1 ZINC000407949747 136207725 /nfs/dbraw/zinc/20/77/25/136207725.db2.gz NILRNCVQADBCCX-UHFFFAOYSA-N 1 2 238.335 0.953 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000407948319 136207383 /nfs/dbraw/zinc/20/73/83/136207383.db2.gz ZMRMTWLGRLVGLM-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000407948319 136207384 /nfs/dbraw/zinc/20/73/84/136207384.db2.gz ZMRMTWLGRLVGLM-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@@H]1CN(c2nc(C)[nH+]cc2C)C[C@H]1O ZINC000576240859 365524293 /nfs/dbraw/zinc/52/42/93/365524293.db2.gz MEBIPMJRKKUZMJ-NXEZZACHSA-N 1 2 223.276 0.289 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000649863696 398146965 /nfs/dbraw/zinc/14/69/65/398146965.db2.gz MHSPXFBXJFCCEN-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000649863696 398146968 /nfs/dbraw/zinc/14/69/68/398146968.db2.gz MHSPXFBXJFCCEN-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CCC(CC)([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000309704459 168331756 /nfs/dbraw/zinc/33/17/56/168331756.db2.gz NXUPHIJGGPUIGI-SECBINFHSA-N 1 2 233.308 0.315 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)ncn1 ZINC000332237829 177987924 /nfs/dbraw/zinc/98/79/24/177987924.db2.gz SKGQCYBCUJBOJZ-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)ncn1 ZINC000332237829 177987926 /nfs/dbraw/zinc/98/79/26/177987926.db2.gz SKGQCYBCUJBOJZ-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649867398 398149070 /nfs/dbraw/zinc/14/90/70/398149070.db2.gz IIZUFWZZVCNVJT-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649867398 398149071 /nfs/dbraw/zinc/14/90/71/398149071.db2.gz IIZUFWZZVCNVJT-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)on1 ZINC000338369643 178007932 /nfs/dbraw/zinc/00/79/32/178007932.db2.gz IMEXXTZFUMZAPW-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)on1 ZINC000338369643 178007933 /nfs/dbraw/zinc/00/79/33/178007933.db2.gz IMEXXTZFUMZAPW-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)no1 ZINC000193603800 178031183 /nfs/dbraw/zinc/03/11/83/178031183.db2.gz WRFDUIFUMJQJFU-XVKPBYJWSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CCCCNC2=O)no1 ZINC000044424568 178033099 /nfs/dbraw/zinc/03/30/99/178033099.db2.gz BWRGOONNKPXPPI-SNVBAGLBSA-N 1 2 223.276 0.741 20 0 BCADLO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)no1 ZINC000081607028 178036531 /nfs/dbraw/zinc/03/65/31/178036531.db2.gz SGYLRVRKDWXRDT-SECBINFHSA-N 1 2 225.292 0.973 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cocn2)[C@H]1OC ZINC000277606052 398177555 /nfs/dbraw/zinc/17/75/55/398177555.db2.gz LNOLZEZQZAUIDA-GMTAPVOTSA-N 1 2 226.276 0.957 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000234533581 398177970 /nfs/dbraw/zinc/17/79/70/398177970.db2.gz WFDACVXQUGGPFD-UWVGGRQHSA-N 1 2 213.277 0.707 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649906673 398181680 /nfs/dbraw/zinc/18/16/80/398181680.db2.gz ADRIOZKCWIDQCD-MRVPVSSYSA-N 1 2 230.218 0.741 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649906673 398181683 /nfs/dbraw/zinc/18/16/83/398181683.db2.gz ADRIOZKCWIDQCD-MRVPVSSYSA-N 1 2 230.218 0.741 20 0 BCADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCCO ZINC000649883360 398162436 /nfs/dbraw/zinc/16/24/36/398162436.db2.gz QYIWZGMFHSAQIB-GFCCVEGCSA-N 1 2 239.319 0.566 20 0 BCADLO Cn1nccc1[C@H]1COCC[N@H+]1CCCCO ZINC000649883360 398162442 /nfs/dbraw/zinc/16/24/42/398162442.db2.gz QYIWZGMFHSAQIB-GFCCVEGCSA-N 1 2 239.319 0.566 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nnc(C)n1C ZINC000533345228 398186501 /nfs/dbraw/zinc/18/65/01/398186501.db2.gz ZPSYBBNGXVBSJV-UHFFFAOYSA-N 1 2 226.324 0.980 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C)n1C ZINC000533345228 398186507 /nfs/dbraw/zinc/18/65/07/398186507.db2.gz ZPSYBBNGXVBSJV-UHFFFAOYSA-N 1 2 226.324 0.980 20 0 BCADLO COC(=O)C[C@]1([NH2+]CC(F)F)CCOC1 ZINC000380343825 343981367 /nfs/dbraw/zinc/98/13/67/343981367.db2.gz SNOWNWJFFNNLJJ-SECBINFHSA-N 1 2 223.219 0.563 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000175068907 365526850 /nfs/dbraw/zinc/52/68/50/365526850.db2.gz ZFDCERWYIWOQLL-NSHDSACASA-N 1 2 227.352 0.489 20 0 BCADLO C[C@@H](CC(=O)NCCn1ccnn1)n1cc[nH+]c1 ZINC000649916594 398187027 /nfs/dbraw/zinc/18/70/27/398187027.db2.gz GYQIWQGLYYESEI-JTQLQIEISA-N 1 2 248.290 0.242 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](O)CC ZINC000313114126 398187656 /nfs/dbraw/zinc/18/76/56/398187656.db2.gz LKTQWVMDYUHAFU-ZJUUUORDSA-N 1 2 225.292 0.549 20 0 BCADLO C[C@@H](CC(=O)Nc1nncn1C)n1cc[nH+]c1 ZINC000649925403 398188611 /nfs/dbraw/zinc/18/86/11/398188611.db2.gz JYTOQJRDOGMDIQ-QMMMGPOBSA-N 1 2 234.263 0.601 20 0 BCADLO Cc1cc(N(C)CC(=O)NC(C)C)nc[nH+]1 ZINC000301244822 178097361 /nfs/dbraw/zinc/09/73/61/178097361.db2.gz NNKRHHGHGPMBKJ-UHFFFAOYSA-N 1 2 222.292 0.746 20 0 BCADLO Cc1cc(N(C)CC(C)(CO)CO)nc[nH+]1 ZINC000301911738 178097457 /nfs/dbraw/zinc/09/74/57/178097457.db2.gz COGGPUFIHXSRJY-UHFFFAOYSA-N 1 2 225.292 0.212 20 0 BCADLO Cc1cc(N(C)CC[NH+]2CCOCC2)ncn1 ZINC000301253923 178099308 /nfs/dbraw/zinc/09/93/08/178099308.db2.gz SODVCDSZYIPBKK-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO COCC[N@@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000309245313 136217844 /nfs/dbraw/zinc/21/78/44/136217844.db2.gz BXJCGMRPCIATLI-MRVPVSSYSA-N 1 2 225.296 0.181 20 0 BCADLO COCC[N@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000309245313 136217845 /nfs/dbraw/zinc/21/78/45/136217845.db2.gz BXJCGMRPCIATLI-MRVPVSSYSA-N 1 2 225.296 0.181 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000052635313 398195023 /nfs/dbraw/zinc/19/50/23/398195023.db2.gz ORQOKXFTRJVPAH-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCc1cc(=NC(=O)Cn2cc[nH+]c2)[nH][nH]1 ZINC000390667501 398196060 /nfs/dbraw/zinc/19/60/60/398196060.db2.gz RYWVJFQZNFXVBJ-UHFFFAOYSA-N 1 2 219.248 0.229 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000649393199 398198345 /nfs/dbraw/zinc/19/83/45/398198345.db2.gz QNZBZISDZIOQPG-SNVBAGLBSA-N 1 2 209.293 0.929 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000649393199 398198349 /nfs/dbraw/zinc/19/83/49/398198349.db2.gz QNZBZISDZIOQPG-SNVBAGLBSA-N 1 2 209.293 0.929 20 0 BCADLO Cc1cc(N)nc(SCC(=O)NC(C)C)[nH+]1 ZINC000022089471 178110155 /nfs/dbraw/zinc/11/01/55/178110155.db2.gz DKAGCDSYWYHDRZ-UHFFFAOYSA-N 1 2 240.332 0.984 20 0 BCADLO Cc1cc(N2CCC3(C2)OCCO3)nc[nH+]1 ZINC000301249861 178112182 /nfs/dbraw/zinc/11/21/82/178112182.db2.gz RMNFDWVBMKWUSZ-UHFFFAOYSA-N 1 2 221.260 0.738 20 0 BCADLO Cc1cc(N2CC(NC(=O)C3CCC3)C2)nc[nH+]1 ZINC000302484946 178112946 /nfs/dbraw/zinc/11/29/46/178112946.db2.gz RWRXPHIXYZFTMV-UHFFFAOYSA-N 1 2 246.314 0.890 20 0 BCADLO C[C@@H]([NH2+]Cc1cscn1)C(=O)N(C)C ZINC000040504168 398201602 /nfs/dbraw/zinc/20/16/02/398201602.db2.gz PMIODWRUUYHRDT-SSDOTTSWSA-N 1 2 213.306 0.709 20 0 BCADLO Cc1cc(N2CC[C@](F)(CO)C2)nc[nH+]1 ZINC000338422648 178118879 /nfs/dbraw/zinc/11/88/79/178118879.db2.gz OHMOFVTVHKJBCA-SNVBAGLBSA-N 1 2 211.240 0.696 20 0 BCADLO Cc1cc(N2CC[C@H](c3nnc[nH]3)C2)nc[nH+]1 ZINC000333397871 178118917 /nfs/dbraw/zinc/11/89/17/178118917.db2.gz FDZRAHPDVROWEL-VIFPVBQESA-N 1 2 230.275 0.897 20 0 BCADLO Cc1cc(N2CC[C@H](CO)[C@@H]2C)nc[nH+]1 ZINC000362659437 178119153 /nfs/dbraw/zinc/11/91/53/178119153.db2.gz VRDNFPQWSYCHDJ-VHSXEESVSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2CCN3C(=O)N=NC3C2)nc[nH+]1 ZINC000408256110 178120270 /nfs/dbraw/zinc/12/02/70/178120270.db2.gz LNOAIDQLVGTZDX-UHFFFAOYSA-N 1 2 232.247 0.102 20 0 BCADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)n(C)n1 ZINC000338021264 178128441 /nfs/dbraw/zinc/12/84/41/178128441.db2.gz CMHDGXPGNZQBDV-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO COCC[N@H+](Cc1nnc(C)n1C)C1CC1 ZINC000052940573 398206406 /nfs/dbraw/zinc/20/64/06/398206406.db2.gz CKDUEYLKPIABNU-UHFFFAOYSA-N 1 2 224.308 0.734 20 0 BCADLO COCC[N@@H+](Cc1nnc(C)n1C)C1CC1 ZINC000052940573 398206411 /nfs/dbraw/zinc/20/64/11/398206411.db2.gz CKDUEYLKPIABNU-UHFFFAOYSA-N 1 2 224.308 0.734 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cccnn1 ZINC000625564975 398200523 /nfs/dbraw/zinc/20/05/23/398200523.db2.gz PYSPLQQPXHAGOY-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO Cc1cc(NC(=O)NCCCO)cc[nH+]1 ZINC000119954604 178138487 /nfs/dbraw/zinc/13/84/87/178138487.db2.gz IXSOXYINULNXAK-UHFFFAOYSA-N 1 2 209.249 0.894 20 0 BCADLO Cc1cc(NC(=O)NCc2nncn2C)cc[nH+]1 ZINC000119985814 178141146 /nfs/dbraw/zinc/14/11/46/178141146.db2.gz IMKLEBFPKPFIBD-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO Cc1cc(NC(=O)N[C@H](C)C(N)=O)cc[nH+]1 ZINC000179802522 178142087 /nfs/dbraw/zinc/14/20/87/178142087.db2.gz JHRPVHGRSRFJTM-SSDOTTSWSA-N 1 2 222.248 0.385 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)nn1C ZINC000300928432 178145311 /nfs/dbraw/zinc/14/53/11/178145311.db2.gz VLRLOWBQJWFCPY-ZETCQYMHSA-N 1 2 226.305 0.330 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC000081234436 178145824 /nfs/dbraw/zinc/14/58/24/178145824.db2.gz SVPGXHBOMZFEJQ-QMMMGPOBSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000081234436 178145826 /nfs/dbraw/zinc/14/58/26/178145826.db2.gz SVPGXHBOMZFEJQ-QMMMGPOBSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)ccn1 ZINC000074933194 178145892 /nfs/dbraw/zinc/14/58/92/178145892.db2.gz WAJXWBMLBCUQCF-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO CCN(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576359943 365576393 /nfs/dbraw/zinc/57/63/93/365576393.db2.gz GVALMCGFSYTYRQ-UHFFFAOYSA-N 1 2 232.309 0.038 20 0 BCADLO CCN(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576359943 365576398 /nfs/dbraw/zinc/57/63/98/365576398.db2.gz GVALMCGFSYTYRQ-UHFFFAOYSA-N 1 2 232.309 0.038 20 0 BCADLO Cc1cc(NC2CCS(=O)(=O)CC2)nc[nH+]1 ZINC000040727234 178155356 /nfs/dbraw/zinc/15/53/56/178155356.db2.gz XLYWZBRAUVKVLB-UHFFFAOYSA-N 1 2 241.316 0.774 20 0 BCADLO Cc1cc(NCC(C)(C)C(N)=O)nc[nH+]1 ZINC000225727823 178156599 /nfs/dbraw/zinc/15/65/99/178156599.db2.gz CRBJFQGVTTWWHY-UHFFFAOYSA-N 1 2 208.265 0.708 20 0 BCADLO Cc1cc(NCCc2nnc3n2CCC3)nc[nH+]1 ZINC000301269017 178163369 /nfs/dbraw/zinc/16/33/69/178163369.db2.gz UTBOMPHYEOFFGI-UHFFFAOYSA-N 1 2 244.302 0.977 20 0 BCADLO Cc1cc(NCCn2cc[nH+]c2)n2ncnc2n1 ZINC000032534087 178163621 /nfs/dbraw/zinc/16/36/21/178163621.db2.gz UJHUHRDWMKCOED-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO C[N@H+](Cc1nc(C(F)F)no1)C1CC(O)C1 ZINC000425430112 398224797 /nfs/dbraw/zinc/22/47/97/398224797.db2.gz DBOSWGOXRWLANY-UHFFFAOYSA-N 1 2 233.218 0.962 20 0 BCADLO C[N@@H+](Cc1nc(C(F)F)no1)C1CC(O)C1 ZINC000425430112 398224799 /nfs/dbraw/zinc/22/47/99/398224799.db2.gz DBOSWGOXRWLANY-UHFFFAOYSA-N 1 2 233.218 0.962 20 0 BCADLO Cc1cc(NC[C@@H]2CC[C@H](C(N)=O)O2)nc[nH+]1 ZINC000301648260 178166397 /nfs/dbraw/zinc/16/63/97/178166397.db2.gz OSPDDYYMPUSKJP-DTWKUNHWSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)ncn1 ZINC000301802379 178169527 /nfs/dbraw/zinc/16/95/27/178169527.db2.gz WZRGHZOKLNMQSE-NSHDSACASA-N 1 2 233.319 0.197 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631237659 398221877 /nfs/dbraw/zinc/22/18/77/398221877.db2.gz AKRKYHWRKOYUKY-HLTSFMKQSA-N 1 2 223.276 0.839 20 0 BCADLO Cc1cc(NCc2nncn2C)nc[nH+]1 ZINC000040727326 178176649 /nfs/dbraw/zinc/17/66/49/178176649.db2.gz YPCNBPCRKCNHBA-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1cc(N[C@@H]2COC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000296118703 178183053 /nfs/dbraw/zinc/18/30/53/178183053.db2.gz VTICKXGOHFRPOI-NXEZZACHSA-N 1 2 235.287 0.834 20 0 BCADLO Cc1cc(N[C@@H]2CCc3nnnn3CC2)nc[nH+]1 ZINC000333637749 178183263 /nfs/dbraw/zinc/18/32/63/178183263.db2.gz BREABPFOLIKGHC-SECBINFHSA-N 1 2 245.290 0.589 20 0 BCADLO CN(CC1(C)COC1)c1[nH+]cnc2c1cnn2C ZINC000624527667 343987554 /nfs/dbraw/zinc/98/75/54/343987554.db2.gz MJMYUEXWOBFXQP-UHFFFAOYSA-N 1 2 247.302 0.836 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000650051457 398227390 /nfs/dbraw/zinc/22/73/90/398227390.db2.gz GVNAZKCSVSSSGB-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000650051457 398227394 /nfs/dbraw/zinc/22/73/94/398227394.db2.gz GVNAZKCSVSSSGB-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000276418039 538932098 /nfs/dbraw/zinc/93/20/98/538932098.db2.gz JLWXLDVVVJLGBY-AOOOYVTPSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000276418039 538932100 /nfs/dbraw/zinc/93/21/00/538932100.db2.gz JLWXLDVVVJLGBY-AOOOYVTPSA-N 1 2 237.303 0.978 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276384386 538932548 /nfs/dbraw/zinc/93/25/48/538932548.db2.gz DZIAXUHOFJEYQP-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276384386 538932550 /nfs/dbraw/zinc/93/25/50/538932550.db2.gz DZIAXUHOFJEYQP-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421358981 192332653 /nfs/dbraw/zinc/33/26/53/192332653.db2.gz DTRWNFDLIAGPJU-JTQLQIEISA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421358981 192332656 /nfs/dbraw/zinc/33/26/56/192332656.db2.gz DTRWNFDLIAGPJU-JTQLQIEISA-N 1 2 239.319 0.690 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000683485368 488174227 /nfs/dbraw/zinc/17/42/27/488174227.db2.gz QRQAJQFFZLYAGE-RKDXNWHRSA-N 1 2 238.291 0.397 20 0 BCADLO CCc1cc(N(CC)CC(N)=O)nc(C)[nH+]1 ZINC000276857773 538933590 /nfs/dbraw/zinc/93/35/90/538933590.db2.gz ICAZOCPSDVHSFX-UHFFFAOYSA-N 1 2 222.292 0.659 20 0 BCADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000334254627 136224846 /nfs/dbraw/zinc/22/48/46/136224846.db2.gz KUHNPQHZPYMKHF-VIFPVBQESA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)on1 ZINC000334254627 136224847 /nfs/dbraw/zinc/22/48/47/136224847.db2.gz KUHNPQHZPYMKHF-VIFPVBQESA-N 1 2 223.276 0.759 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000334317796 136225233 /nfs/dbraw/zinc/22/52/33/136225233.db2.gz RAOACNFLVJCSJE-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000334317796 136225234 /nfs/dbraw/zinc/22/52/34/136225234.db2.gz RAOACNFLVJCSJE-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO COC[C@H]([NH2+]Cc1csnn1)[C@@H]1CCCO1 ZINC000336775683 398236745 /nfs/dbraw/zinc/23/67/45/398236745.db2.gz ZQLFBXVBQKOBJE-UWVGGRQHSA-N 1 2 243.332 0.822 20 0 BCADLO CO[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280355452 538937020 /nfs/dbraw/zinc/93/70/20/538937020.db2.gz TZELQIJZSSSBOQ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CO[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280355452 538937021 /nfs/dbraw/zinc/93/70/21/538937021.db2.gz TZELQIJZSSSBOQ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(N)=O)on1 ZINC000047273992 178240528 /nfs/dbraw/zinc/24/05/28/178240528.db2.gz CRACWGHGZWFPPO-QMMMGPOBSA-N 1 2 209.249 0.605 20 0 BCADLO Cc1cc([C@@H]2CCC[N@H+]2CC(N)=O)on1 ZINC000047273992 178240531 /nfs/dbraw/zinc/24/05/31/178240531.db2.gz CRACWGHGZWFPPO-QMMMGPOBSA-N 1 2 209.249 0.605 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279726426 538935859 /nfs/dbraw/zinc/93/58/59/538935859.db2.gz CFMJLEYYQIKWRY-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279726426 538935860 /nfs/dbraw/zinc/93/58/60/538935860.db2.gz CFMJLEYYQIKWRY-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000432437609 398236951 /nfs/dbraw/zinc/23/69/51/398236951.db2.gz RTUBOOQBLJKELV-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC000629963703 361811659 /nfs/dbraw/zinc/81/16/59/361811659.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nc(NC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC000629963703 361811663 /nfs/dbraw/zinc/81/16/63/361811663.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC000629963703 361811666 /nfs/dbraw/zinc/81/16/66/361811666.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nnc(NC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC000629963703 361811668 /nfs/dbraw/zinc/81/16/68/361811668.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1n[nH]c(NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC000629963703 361811671 /nfs/dbraw/zinc/81/16/71/361811671.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1n[nH]c(NC(=O)C[N@H+](C)C2CCC2)n1 ZINC000629963703 361811674 /nfs/dbraw/zinc/81/16/74/361811674.db2.gz VYZWGQGJIQNYBQ-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCCCCC1 ZINC000191714268 398244638 /nfs/dbraw/zinc/24/46/38/398244638.db2.gz KPCNFAYYJRNUKO-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCCCCC1 ZINC000191714268 398244640 /nfs/dbraw/zinc/24/46/40/398244640.db2.gz KPCNFAYYJRNUKO-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CC(C)(C)[C@H](O)C[N@H+](CCO)CC(F)F ZINC000336713786 398240606 /nfs/dbraw/zinc/24/06/06/398240606.db2.gz VTTSJTTYBUDZAL-MRVPVSSYSA-N 1 2 225.279 0.953 20 0 BCADLO CC(C)(C)[C@H](O)C[N@@H+](CCO)CC(F)F ZINC000336713786 398240608 /nfs/dbraw/zinc/24/06/08/398240608.db2.gz VTTSJTTYBUDZAL-MRVPVSSYSA-N 1 2 225.279 0.953 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000280688249 178313544 /nfs/dbraw/zinc/31/35/44/178313544.db2.gz FIOJLRYQDYYIFL-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000280688249 178313545 /nfs/dbraw/zinc/31/35/45/178313545.db2.gz FIOJLRYQDYYIFL-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1[nH+]ccn1C ZINC000280704737 178314119 /nfs/dbraw/zinc/31/41/19/178314119.db2.gz SSYBCHARSWFIGX-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1cccnc1 ZINC000576632790 365644113 /nfs/dbraw/zinc/64/41/13/365644113.db2.gz AHLRUBJMYTWRNA-UHFFFAOYSA-N 1 2 230.271 0.637 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCn1cnnc1 ZINC000381328136 398252546 /nfs/dbraw/zinc/25/25/46/398252546.db2.gz YFSHXFYCNNPNPV-UHFFFAOYSA-N 1 2 244.262 0.067 20 0 BCADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)n1cccn1 ZINC000291105436 538947606 /nfs/dbraw/zinc/94/76/06/538947606.db2.gz BYQMORTYEHYKQR-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC[C@H]1CCCO1 ZINC000291178439 538947614 /nfs/dbraw/zinc/94/76/14/538947614.db2.gz JODKIZZINCSFNZ-LLVKDONJSA-N 1 2 237.303 0.996 20 0 BCADLO Cc1ccc(CC(=O)NCc2c[nH+]cn2C)cn1 ZINC000291283737 538947616 /nfs/dbraw/zinc/94/76/16/538947616.db2.gz RANKHUVCGPMTPG-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC[C@@H]1CCOC1 ZINC000291330350 538947626 /nfs/dbraw/zinc/94/76/26/538947626.db2.gz VMTKDTCXOPZEAP-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1c[nH]nc1C1CC1 ZINC000291187954 538947483 /nfs/dbraw/zinc/94/74/83/538947483.db2.gz KHSVEWVSCXLGIW-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000185160611 398258932 /nfs/dbraw/zinc/25/89/32/398258932.db2.gz QQMJDAKSDZJKCX-ZCFIWIBFSA-N 1 2 228.214 0.105 20 0 BCADLO CC(C)[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000185160611 398258935 /nfs/dbraw/zinc/25/89/35/398258935.db2.gz QQMJDAKSDZJKCX-ZCFIWIBFSA-N 1 2 228.214 0.105 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)CCCOC1 ZINC000291313891 538947809 /nfs/dbraw/zinc/94/78/09/538947809.db2.gz UBWODBFYVCUUTG-LBPRGKRZSA-N 1 2 237.303 0.853 20 0 BCADLO COC(C)(C)CC(=O)NCc1c[nH+]cn1C ZINC000291384558 538947304 /nfs/dbraw/zinc/94/73/04/538947304.db2.gz HHYSTEPFBXGNQJ-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO COCC(COC)[NH2+]Cc1ncc(C)o1 ZINC000385130449 398262088 /nfs/dbraw/zinc/26/20/88/398262088.db2.gz GXYUIAKGIFXDNW-UHFFFAOYSA-N 1 2 214.265 0.734 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCS1 ZINC000291519056 538948169 /nfs/dbraw/zinc/94/81/69/538948169.db2.gz UXECHOCVWDHCNX-VIFPVBQESA-N 1 2 225.317 0.932 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000185249082 398262167 /nfs/dbraw/zinc/26/21/67/398262167.db2.gz IROPQTJHJWVAPY-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000185249082 398262168 /nfs/dbraw/zinc/26/21/68/398262168.db2.gz IROPQTJHJWVAPY-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO O=S1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602462839 349557724 /nfs/dbraw/zinc/55/77/24/349557724.db2.gz CRPQBIPHXNTNIZ-JTQLQIEISA-N 1 2 217.334 0.620 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cnccn1 ZINC000576765575 365681206 /nfs/dbraw/zinc/68/12/06/365681206.db2.gz OUJLMKGKCZMEQH-UHFFFAOYSA-N 1 2 236.319 0.954 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cnccn1 ZINC000576765575 365681211 /nfs/dbraw/zinc/68/12/11/365681211.db2.gz OUJLMKGKCZMEQH-UHFFFAOYSA-N 1 2 236.319 0.954 20 0 BCADLO CC[C@@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000127250319 398265525 /nfs/dbraw/zinc/26/55/25/398265525.db2.gz QGYRMWQYLBZUHN-MRVPVSSYSA-N 1 2 235.291 0.936 20 0 BCADLO Cc1cc(NC(=O)C2(C(=O)N(C)C)CC2)cc[nH+]1 ZINC000335085188 136232862 /nfs/dbraw/zinc/23/28/62/136232862.db2.gz RHCBPGBLKFFSRH-UHFFFAOYSA-N 1 2 247.298 0.619 20 0 BCADLO Cc1nc(N2CCN(C)C(=O)C2)c(C)c(C)[nH+]1 ZINC000177830158 538952369 /nfs/dbraw/zinc/95/23/69/538952369.db2.gz GXJZSYRTWXSPPH-UHFFFAOYSA-N 1 2 234.303 0.680 20 0 BCADLO CC[C@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000127250126 398265121 /nfs/dbraw/zinc/26/51/21/398265121.db2.gz QGYRMWQYLBZUHN-QMMMGPOBSA-N 1 2 235.291 0.936 20 0 BCADLO COC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171593899 346829965 /nfs/dbraw/zinc/82/99/65/346829965.db2.gz OZZSWVZYAKWXNG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccco2)CC[N@@H+]1CCO ZINC000188749312 346839300 /nfs/dbraw/zinc/83/93/00/346839300.db2.gz OLVCQETZCJPMFK-SNVBAGLBSA-N 1 2 238.287 0.418 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccco2)CC[N@H+]1CCO ZINC000188749312 346839304 /nfs/dbraw/zinc/83/93/04/346839304.db2.gz OLVCQETZCJPMFK-SNVBAGLBSA-N 1 2 238.287 0.418 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cncnc1 ZINC000179514203 538955325 /nfs/dbraw/zinc/95/53/25/538955325.db2.gz HAVZEVAWZUKOLQ-UHFFFAOYSA-N 1 2 222.292 0.420 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cncnc1 ZINC000179514203 538955327 /nfs/dbraw/zinc/95/53/27/538955327.db2.gz HAVZEVAWZUKOLQ-UHFFFAOYSA-N 1 2 222.292 0.420 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000180585580 538958046 /nfs/dbraw/zinc/95/80/46/538958046.db2.gz YYBFXWXGLKWRAT-WPRPVWTQSA-N 1 2 236.319 0.990 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183678461 346855678 /nfs/dbraw/zinc/85/56/78/346855678.db2.gz WSJQNXHQUCJWBV-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)C2)[nH]1 ZINC000181714407 538961186 /nfs/dbraw/zinc/96/11/86/538961186.db2.gz CJWMOPWNVGBHPJ-QMMMGPOBSA-N 1 2 210.281 0.181 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](CO)C2)[nH]1 ZINC000181714407 538961187 /nfs/dbraw/zinc/96/11/87/538961187.db2.gz CJWMOPWNVGBHPJ-QMMMGPOBSA-N 1 2 210.281 0.181 20 0 BCADLO O=C(CC(F)(F)F)NCC[NH+]1CCOCC1 ZINC000044597481 342690731 /nfs/dbraw/zinc/69/07/31/342690731.db2.gz USSBBXSDTLSNEM-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO Cc1c[nH]c(CN2CC[S@@](=O)C[C@H](C)C2)[nH+]1 ZINC000600151621 342691480 /nfs/dbraw/zinc/69/14/80/342691480.db2.gz PKDDZMPBCWJSGA-JDNHERCYSA-N 1 2 241.360 0.919 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cnc(C)o2)C1 ZINC000600167370 342694318 /nfs/dbraw/zinc/69/43/18/342694318.db2.gz SGEIJQGMVJRMRS-UHFFFAOYSA-N 1 2 224.260 0.978 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600223990 342713907 /nfs/dbraw/zinc/71/39/07/342713907.db2.gz CMEMARZBEVTGRV-MRVPVSSYSA-N 1 2 238.291 0.283 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](O)COCC(C)C)no1 ZINC000231806486 342741310 /nfs/dbraw/zinc/74/13/10/342741310.db2.gz PISXOCMFHDLQTK-SNVBAGLBSA-N 1 2 243.307 0.501 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](O)COCC(C)C)no1 ZINC000231806489 342741378 /nfs/dbraw/zinc/74/13/78/342741378.db2.gz PISXOCMFHDLQTK-JTQLQIEISA-N 1 2 243.307 0.501 20 0 BCADLO CN(C)c1[nH+]cc(CNCc2ccno2)n1C ZINC000231880496 342742210 /nfs/dbraw/zinc/74/22/10/342742210.db2.gz PKVGFLNGAFCZQR-UHFFFAOYSA-N 1 2 235.291 0.764 20 0 BCADLO CC[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492986834 529388334 /nfs/dbraw/zinc/38/83/34/529388334.db2.gz RLICLBNADXPPCS-TUUFMJSCSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H](NC(=O)CCc1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000629994848 361878834 /nfs/dbraw/zinc/87/88/34/361878834.db2.gz UBLDULSRRKYWLV-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000309654823 342776724 /nfs/dbraw/zinc/77/67/24/342776724.db2.gz PHQUQGKBGGLSLJ-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(C)nc1 ZINC000607732426 342783344 /nfs/dbraw/zinc/78/33/44/342783344.db2.gz FLTOCCDBBPWITI-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(C)nc1 ZINC000607732426 342783345 /nfs/dbraw/zinc/78/33/45/342783345.db2.gz FLTOCCDBBPWITI-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO NC(=O)[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683222 398284688 /nfs/dbraw/zinc/28/46/88/398284688.db2.gz MUJWOEJMBKVTGR-ZETCQYMHSA-N 1 2 244.245 0.585 20 0 BCADLO NC(=O)[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683222 398284690 /nfs/dbraw/zinc/28/46/90/398284690.db2.gz MUJWOEJMBKVTGR-ZETCQYMHSA-N 1 2 244.245 0.585 20 0 BCADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(N)=O)cc1 ZINC000007490345 342791756 /nfs/dbraw/zinc/79/17/56/342791756.db2.gz DARNKUJEJDVJGW-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(N)=O)cc1 ZINC000007490345 342791757 /nfs/dbraw/zinc/79/17/57/342791757.db2.gz DARNKUJEJDVJGW-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)NC)CCO1 ZINC000494720606 529390921 /nfs/dbraw/zinc/39/09/21/529390921.db2.gz YCBZOHKXVJGPGM-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC)CCO1 ZINC000494720606 529390925 /nfs/dbraw/zinc/39/09/25/529390925.db2.gz YCBZOHKXVJGPGM-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751398 398286668 /nfs/dbraw/zinc/28/66/68/398286668.db2.gz QCCVQVCYDBYIMN-RNFRBKRXSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751398 398286672 /nfs/dbraw/zinc/28/66/72/398286672.db2.gz QCCVQVCYDBYIMN-RNFRBKRXSA-N 1 2 222.235 0.216 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653912 342810995 /nfs/dbraw/zinc/81/09/95/342810995.db2.gz QTSDLBXDVXQLFG-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653912 342810996 /nfs/dbraw/zinc/81/09/96/342810996.db2.gz QTSDLBXDVXQLFG-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO CCN1CC[N@H+](CCOC(C)C)CC1=O ZINC000348811970 136239186 /nfs/dbraw/zinc/23/91/86/136239186.db2.gz ULFZNHOPGYHDRL-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCN1CC[N@@H+](CCOC(C)C)CC1=O ZINC000348811970 136239187 /nfs/dbraw/zinc/23/91/87/136239187.db2.gz ULFZNHOPGYHDRL-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO Cc1nc(N[C@@H]2CCOC[C@H]2O)cc[nH+]1 ZINC000624683308 342819268 /nfs/dbraw/zinc/81/92/68/342819268.db2.gz IYZSCNRESCQGHC-RKDXNWHRSA-N 1 2 209.249 0.347 20 0 BCADLO CCc1cc(NC2CC(CO)(CO)C2)nc[nH+]1 ZINC000624698425 342819723 /nfs/dbraw/zinc/81/97/23/342819723.db2.gz SUMGEWCEBUOPSX-UHFFFAOYSA-N 1 2 237.303 0.584 20 0 BCADLO CCCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624737932 342824566 /nfs/dbraw/zinc/82/45/66/342824566.db2.gz XVWTXYFZSVVHAJ-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624737932 342824567 /nfs/dbraw/zinc/82/45/67/342824567.db2.gz XVWTXYFZSVVHAJ-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cncnc2)[C@H](C(N)=O)C1 ZINC000190146468 538987496 /nfs/dbraw/zinc/98/74/96/538987496.db2.gz HTJFFGRFSSILLU-ONGXEEELSA-N 1 2 234.303 0.562 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cncnc2)[C@H](C(N)=O)C1 ZINC000190146468 538987497 /nfs/dbraw/zinc/98/74/97/538987497.db2.gz HTJFFGRFSSILLU-ONGXEEELSA-N 1 2 234.303 0.562 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC1CC(O)C1 ZINC000191167662 538991590 /nfs/dbraw/zinc/99/15/90/538991590.db2.gz GFOHCHAYQWSPBY-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CC1CC(O)C1 ZINC000191167662 538991592 /nfs/dbraw/zinc/99/15/92/538991592.db2.gz GFOHCHAYQWSPBY-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO C[C@H]1OCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000191552481 538992275 /nfs/dbraw/zinc/99/22/75/538992275.db2.gz XUKDDRFPMIRGBZ-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CO1 ZINC000402105122 349625344 /nfs/dbraw/zinc/62/53/44/349625344.db2.gz UWHRNFSNSUFKKN-SFYZADRCSA-N 1 2 233.275 0.953 20 0 BCADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CO1 ZINC000402105120 349625406 /nfs/dbraw/zinc/62/54/06/349625406.db2.gz UWHRNFSNSUFKKN-HTQZYQBOSA-N 1 2 233.275 0.953 20 0 BCADLO C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CO1 ZINC000402105123 349625455 /nfs/dbraw/zinc/62/54/55/349625455.db2.gz UWHRNFSNSUFKKN-YUMQZZPRSA-N 1 2 233.275 0.953 20 0 BCADLO CN(CCCn1cc[nH+]c1)Cc1nncn1C ZINC000162296193 349625476 /nfs/dbraw/zinc/62/54/76/349625476.db2.gz VPCWVRMNNATINW-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO COCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000381617359 539005378 /nfs/dbraw/zinc/00/53/78/539005378.db2.gz WFAVXKSEWCINNI-UHFFFAOYSA-N 1 2 225.296 0.116 20 0 BCADLO COCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000381617359 539005379 /nfs/dbraw/zinc/00/53/79/539005379.db2.gz WFAVXKSEWCINNI-UHFFFAOYSA-N 1 2 225.296 0.116 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ccncc2F)C1 ZINC000381295575 538997551 /nfs/dbraw/zinc/99/75/51/538997551.db2.gz GFSDCOVNGXHMCA-SECBINFHSA-N 1 2 225.267 0.385 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ccncc2F)C1 ZINC000381295575 538997553 /nfs/dbraw/zinc/99/75/53/538997553.db2.gz GFSDCOVNGXHMCA-SECBINFHSA-N 1 2 225.267 0.385 20 0 BCADLO CCc1cc(NC[C@@]2(O)CCSC2)nc[nH+]1 ZINC000381321632 538998151 /nfs/dbraw/zinc/99/81/51/538998151.db2.gz OYFQSZQRWYYHJW-NSHDSACASA-N 1 2 239.344 0.741 20 0 BCADLO CCc1cc(NC[C@H](C)S(C)(=O)=O)nc[nH+]1 ZINC000381337535 538998587 /nfs/dbraw/zinc/99/85/87/538998587.db2.gz WIDXFSGIDLYHRY-QMMMGPOBSA-N 1 2 243.332 0.306 20 0 BCADLO c1ncn(-c2ccc(NCC3CC3)[nH+]c2)n1 ZINC000381443762 539000497 /nfs/dbraw/zinc/00/04/97/539000497.db2.gz FJZDUMHSUHUKKL-UHFFFAOYSA-N 1 2 215.260 0.906 20 0 BCADLO Cc1cc(N[C@H]2CCC(=O)N[C@@H]2C)nc[nH+]1 ZINC000390406466 539021707 /nfs/dbraw/zinc/02/17/07/539021707.db2.gz BQNVRUOZHBCPNI-BDAKNGLRSA-N 1 2 220.276 0.864 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ncccc2O)C[C@@H]1C ZINC000104144591 539015106 /nfs/dbraw/zinc/01/51/06/539015106.db2.gz RHOKODPHWVLKBO-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ncccc2O)C[C@@H]1C ZINC000104144591 539015108 /nfs/dbraw/zinc/01/51/08/539015108.db2.gz RHOKODPHWVLKBO-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000389740423 539017578 /nfs/dbraw/zinc/01/75/78/539017578.db2.gz YMMLQPPJKWSZOS-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000389740423 539017580 /nfs/dbraw/zinc/01/75/80/539017580.db2.gz YMMLQPPJKWSZOS-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000335645125 136243196 /nfs/dbraw/zinc/24/31/96/136243196.db2.gz ABSPENIHJBQIOO-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000335645125 136243197 /nfs/dbraw/zinc/24/31/97/136243197.db2.gz ABSPENIHJBQIOO-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO CCCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640752258 361993555 /nfs/dbraw/zinc/99/35/55/361993555.db2.gz GFFHPCGOBYVSBZ-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640752258 361993557 /nfs/dbraw/zinc/99/35/57/361993557.db2.gz GFFHPCGOBYVSBZ-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO Cc1cc(C[N@@H+](C)CCc2cn(C)nn2)no1 ZINC000625078008 342848750 /nfs/dbraw/zinc/84/87/50/342848750.db2.gz MAVPGSMJMRSTCN-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1cc(C[N@H+](C)CCc2cn(C)nn2)no1 ZINC000625078008 342848751 /nfs/dbraw/zinc/84/87/51/342848751.db2.gz MAVPGSMJMRSTCN-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO COC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000625090613 342850736 /nfs/dbraw/zinc/85/07/36/342850736.db2.gz TWSGNOPNJVIFJQ-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCCCO ZINC000583991293 342851863 /nfs/dbraw/zinc/85/18/63/342851863.db2.gz DSLIWNZOSCKJAF-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCCCO ZINC000583991293 342851864 /nfs/dbraw/zinc/85/18/64/342851864.db2.gz DSLIWNZOSCKJAF-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO COCCOCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000536605915 398303828 /nfs/dbraw/zinc/30/38/28/398303828.db2.gz NGCPHGMUZHMTIX-LBPRGKRZSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccs1 ZINC000093103086 398308497 /nfs/dbraw/zinc/30/84/97/398308497.db2.gz ORYWWUSGILEQET-SCZZXKLOSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccs1 ZINC000093103086 398308498 /nfs/dbraw/zinc/30/84/98/398308498.db2.gz ORYWWUSGILEQET-SCZZXKLOSA-N 1 2 241.312 0.856 20 0 BCADLO CCO[C@H](C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000625147412 342894377 /nfs/dbraw/zinc/89/43/77/342894377.db2.gz QNYZJGFUZIEVLD-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CCO[C@H](C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000625147412 342894378 /nfs/dbraw/zinc/89/43/78/342894378.db2.gz QNYZJGFUZIEVLD-LLVKDONJSA-N 1 2 236.319 0.909 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC000074695391 344008070 /nfs/dbraw/zinc/00/80/70/344008070.db2.gz XJNQESYREXCDSK-UHFFFAOYSA-N 1 2 209.249 0.452 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1cnns1 ZINC000625160137 342898337 /nfs/dbraw/zinc/89/83/37/342898337.db2.gz IFQZDJYJZIQLLW-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1cnns1 ZINC000625160137 342898339 /nfs/dbraw/zinc/89/83/39/342898339.db2.gz IFQZDJYJZIQLLW-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO Cc1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000309004596 342880691 /nfs/dbraw/zinc/88/06/91/342880691.db2.gz MQTLQXLXYIGZRE-MRVPVSSYSA-N 1 2 206.249 0.428 20 0 BCADLO Cc1cc(N2CC[C@](C)(C(N)=O)C2)nc[nH+]1 ZINC000576801873 365688078 /nfs/dbraw/zinc/68/80/78/365688078.db2.gz IPXOKFUDVXAOEP-NSHDSACASA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000351381419 136245810 /nfs/dbraw/zinc/24/58/10/136245810.db2.gz FNLQTDABGZWVAF-VXNVDRBHSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)no1 ZINC000351381419 136245811 /nfs/dbraw/zinc/24/58/11/136245811.db2.gz FNLQTDABGZWVAF-VXNVDRBHSA-N 1 2 211.265 0.896 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H](C)O1 ZINC000247704072 398314832 /nfs/dbraw/zinc/31/48/32/398314832.db2.gz RMUXLJXQLMHTBH-IWSPIJDZSA-N 1 2 243.307 0.069 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H](C)O1 ZINC000247704072 398314833 /nfs/dbraw/zinc/31/48/33/398314833.db2.gz RMUXLJXQLMHTBH-IWSPIJDZSA-N 1 2 243.307 0.069 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]Cc1ccn[nH]1 ZINC000037155886 342923020 /nfs/dbraw/zinc/92/30/20/342923020.db2.gz DKNLXZKKHFMLGK-VIFPVBQESA-N 1 2 205.265 0.785 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]Cc1csnn1 ZINC000037155890 342923308 /nfs/dbraw/zinc/92/33/08/342923308.db2.gz SMIHCMMGLNLIHV-QMMMGPOBSA-N 1 2 223.305 0.913 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)N(C)C)cs1 ZINC000037207493 342924829 /nfs/dbraw/zinc/92/48/29/342924829.db2.gz IPHPCXVTMKTEPU-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCCC[C@H]1OC ZINC000037187538 342925377 /nfs/dbraw/zinc/92/53/77/342925377.db2.gz PXCIRGBRSYDCRK-DTWKUNHWSA-N 1 2 201.266 0.707 20 0 BCADLO CCn1cc(C(=O)NCc2[nH+]ccn2C)c(C)n1 ZINC000625238664 342927511 /nfs/dbraw/zinc/92/75/11/342927511.db2.gz AQBNGKMMVOYKJG-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC(=O)N(C)C ZINC000351602493 136247680 /nfs/dbraw/zinc/24/76/80/136247680.db2.gz IJHYRJAMURRWCZ-UWVGGRQHSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC(=O)N(C)C ZINC000351602493 136247681 /nfs/dbraw/zinc/24/76/81/136247681.db2.gz IJHYRJAMURRWCZ-UWVGGRQHSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000234581961 342929872 /nfs/dbraw/zinc/92/98/72/342929872.db2.gz BVUNMXQPSCYHBU-OPRDCNLKSA-N 1 2 227.304 0.687 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602632605 349648924 /nfs/dbraw/zinc/64/89/24/349648924.db2.gz CUMOILMWEPHALY-GUBZILKMSA-N 1 2 242.319 0.585 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602642926 349655111 /nfs/dbraw/zinc/65/51/11/349655111.db2.gz CUMOILMWEPHALY-BBBLOLIVSA-N 1 2 242.319 0.585 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cnnn1C ZINC000351653843 136249060 /nfs/dbraw/zinc/24/90/60/136249060.db2.gz XCTJPOGVDRYFQZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cnnn1C ZINC000351653843 136249061 /nfs/dbraw/zinc/24/90/61/136249061.db2.gz XCTJPOGVDRYFQZ-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO Cc1ccc(CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000123678620 398338554 /nfs/dbraw/zinc/33/85/54/398338554.db2.gz KKXGJWMKKYCEQU-UHFFFAOYSA-N 1 2 218.300 0.969 20 0 BCADLO Cc1ccc(CC[N@H+]2CCNC(=O)C2)cc1 ZINC000123678620 398338555 /nfs/dbraw/zinc/33/85/55/398338555.db2.gz KKXGJWMKKYCEQU-UHFFFAOYSA-N 1 2 218.300 0.969 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000248051564 398338660 /nfs/dbraw/zinc/33/86/60/398338660.db2.gz XHGSRTOPWRAUOV-IONNQARKSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CCC[C@@H](O)C2)n1 ZINC000248051564 398338661 /nfs/dbraw/zinc/33/86/61/398338661.db2.gz XHGSRTOPWRAUOV-IONNQARKSA-N 1 2 211.265 0.896 20 0 BCADLO CC[C@@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871321 529467787 /nfs/dbraw/zinc/46/77/87/529467787.db2.gz XIZHMMCVTZJDGE-NWALNABHSA-N 1 2 223.276 0.700 20 0 BCADLO CO[C@@]1(C[NH2+][C@@H](C)C(=O)OC(C)C)CCOC1 ZINC000602683413 349675218 /nfs/dbraw/zinc/67/52/18/349675218.db2.gz VPABQOVYHQUJBG-CMPLNLGQSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000132725239 398341200 /nfs/dbraw/zinc/34/12/00/398341200.db2.gz AEGFZUOHORLBRR-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000169798150 398342467 /nfs/dbraw/zinc/34/24/67/398342467.db2.gz LSTWVQSCICRVOX-VIFPVBQESA-N 1 2 205.261 0.724 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000602679092 349671661 /nfs/dbraw/zinc/67/16/61/349671661.db2.gz AWRJLLCEYQIFGX-UWVGGRQHSA-N 1 2 242.319 0.585 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000351817409 136255189 /nfs/dbraw/zinc/25/51/89/136255189.db2.gz ALJYKHYNRAOVBB-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000351817409 136255190 /nfs/dbraw/zinc/25/51/90/136255190.db2.gz ALJYKHYNRAOVBB-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000351817411 136254951 /nfs/dbraw/zinc/25/49/51/136254951.db2.gz ALJYKHYNRAOVBB-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000351817411 136254952 /nfs/dbraw/zinc/25/49/52/136254952.db2.gz ALJYKHYNRAOVBB-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N=c1nc[nH]n1C ZINC000492540680 529552471 /nfs/dbraw/zinc/55/24/71/529552471.db2.gz WCXIIFVORZFCEM-SNAWJCMRSA-N 1 2 246.274 0.105 20 0 BCADLO COc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)co1 ZINC000625618081 344020103 /nfs/dbraw/zinc/02/01/03/344020103.db2.gz SOUNIKCEAVUCQV-UHFFFAOYSA-N 1 2 248.242 0.577 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CC[C@H]1O ZINC000493270025 529554590 /nfs/dbraw/zinc/55/45/90/529554590.db2.gz ZIXBXFWGUQNUEJ-GMCFVEKCSA-N 1 2 235.287 0.556 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cn(C)nn1 ZINC000493499259 529556561 /nfs/dbraw/zinc/55/65/61/529556561.db2.gz ZYDUUHSSSXKBDE-SNAWJCMRSA-N 1 2 246.274 0.683 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H](O)C1 ZINC000493425412 529557689 /nfs/dbraw/zinc/55/76/89/529557689.db2.gz PLINKOVIXGHXBU-GZTOBOFZSA-N 1 2 249.314 0.900 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H]1CO ZINC000492662649 529557828 /nfs/dbraw/zinc/55/78/28/529557828.db2.gz LUKZMYPOPSOXKR-GZTOBOFZSA-N 1 2 249.314 0.900 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1nccs1 ZINC000683552031 488193246 /nfs/dbraw/zinc/19/32/46/488193246.db2.gz OJSYUYJXGWZJQM-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1nccs1 ZINC000683552031 488193249 /nfs/dbraw/zinc/19/32/49/488193249.db2.gz OJSYUYJXGWZJQM-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1C[C@H]1CO ZINC000493231670 529560726 /nfs/dbraw/zinc/56/07/26/529560726.db2.gz YHGYHTZZPBIQQA-RWCMCFKCSA-N 1 2 235.287 0.413 20 0 BCADLO CN(C)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335900144 136258599 /nfs/dbraw/zinc/25/85/99/136258599.db2.gz FAYNDEBKQFAAJM-VIFPVBQESA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000335900144 136258600 /nfs/dbraw/zinc/25/86/00/136258600.db2.gz FAYNDEBKQFAAJM-VIFPVBQESA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000335900144 136258601 /nfs/dbraw/zinc/25/86/01/136258601.db2.gz FAYNDEBKQFAAJM-VIFPVBQESA-N 1 2 222.292 0.635 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602766496 349722440 /nfs/dbraw/zinc/72/24/40/349722440.db2.gz LZWWYOAFTMJMBQ-PWSUYJOCSA-N 1 2 245.319 0.003 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602766496 349722443 /nfs/dbraw/zinc/72/24/43/349722443.db2.gz LZWWYOAFTMJMBQ-PWSUYJOCSA-N 1 2 245.319 0.003 20 0 BCADLO COC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000518179940 259338114 /nfs/dbraw/zinc/33/81/14/259338114.db2.gz OCCTVBLKQLPSQX-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000518179940 259338115 /nfs/dbraw/zinc/33/81/15/259338115.db2.gz OCCTVBLKQLPSQX-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCc1cnccn1)C1CC1 ZINC000602798487 349740106 /nfs/dbraw/zinc/74/01/06/349740106.db2.gz KSFDQRRPEXFIMI-CYBMUJFWSA-N 1 2 249.314 0.950 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1CCO[C@H]1C)C(=O)OC ZINC000602799397 349740956 /nfs/dbraw/zinc/74/09/56/349740956.db2.gz OGNKJDVYNCIOKV-NHCYSSNCSA-N 1 2 245.319 0.579 20 0 BCADLO CCC(CC)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634605243 342999386 /nfs/dbraw/zinc/99/93/86/342999386.db2.gz FFLOWQRUALYDAK-VIFPVBQESA-N 1 2 209.293 0.983 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncnn1C ZINC000518365173 259340115 /nfs/dbraw/zinc/34/01/15/259340115.db2.gz CEPCCTDPLKNOBV-WDSKDSINSA-N 1 2 238.213 0.389 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOCC1(C)C ZINC000602763465 349733693 /nfs/dbraw/zinc/73/36/93/349733693.db2.gz KXGMXEWMNOLTPB-UHFFFAOYSA-N 1 2 211.309 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOCC1(C)C ZINC000602763465 349733695 /nfs/dbraw/zinc/73/36/95/349733695.db2.gz KXGMXEWMNOLTPB-UHFFFAOYSA-N 1 2 211.309 0.900 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000602818421 349760202 /nfs/dbraw/zinc/76/02/02/349760202.db2.gz DHLZSRULJXVCQK-MEDUHNTESA-N 1 2 243.376 0.490 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000602818421 349760204 /nfs/dbraw/zinc/76/02/04/349760204.db2.gz DHLZSRULJXVCQK-MEDUHNTESA-N 1 2 243.376 0.490 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCO[C@@H]1C ZINC000602820735 349761118 /nfs/dbraw/zinc/76/11/18/349761118.db2.gz KWJVFBRYSURMQQ-RCWTZXSCSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCO[C@@H]1C ZINC000602820735 349761122 /nfs/dbraw/zinc/76/11/22/349761122.db2.gz KWJVFBRYSURMQQ-RCWTZXSCSA-N 1 2 245.294 0.997 20 0 BCADLO CCCCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634619095 343018001 /nfs/dbraw/zinc/01/80/01/343018001.db2.gz ONJKMKNWRINLRN-VIFPVBQESA-N 1 2 209.293 0.984 20 0 BCADLO CCCCC[N@H+](CCN(C#N)CC)CC(N)=O ZINC000602805978 349748434 /nfs/dbraw/zinc/74/84/34/349748434.db2.gz KOMBGQJOWIYVQO-UHFFFAOYSA-N 1 2 240.351 0.767 20 0 BCADLO CCCCC[N@@H+](CCN(C#N)CC)CC(N)=O ZINC000602805978 349748436 /nfs/dbraw/zinc/74/84/36/349748436.db2.gz KOMBGQJOWIYVQO-UHFFFAOYSA-N 1 2 240.351 0.767 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000602810922 349755114 /nfs/dbraw/zinc/75/51/14/349755114.db2.gz ITXOEXRWYYDWKT-LBPRGKRZSA-N 1 2 239.319 0.817 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000602810922 349755117 /nfs/dbraw/zinc/75/51/17/349755117.db2.gz ITXOEXRWYYDWKT-LBPRGKRZSA-N 1 2 239.319 0.817 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000602812807 349755706 /nfs/dbraw/zinc/75/57/06/349755706.db2.gz RLDKBNIBJACXDE-GFCCVEGCSA-N 1 2 239.319 0.281 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000602812807 349755708 /nfs/dbraw/zinc/75/57/08/349755708.db2.gz RLDKBNIBJACXDE-GFCCVEGCSA-N 1 2 239.319 0.281 20 0 BCADLO O=c1c2c([nH]n1CCc1ccccn1)CC[NH2+]C2 ZINC000634614728 343012365 /nfs/dbraw/zinc/01/23/65/343012365.db2.gz LRMNKYFIRHVXQT-LLVKDONJSA-N 1 2 244.298 0.432 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000602847886 349783349 /nfs/dbraw/zinc/78/33/49/349783349.db2.gz USJHVYNUJHQZOT-LLVKDONJSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000602847886 349783353 /nfs/dbraw/zinc/78/33/53/349783353.db2.gz USJHVYNUJHQZOT-LLVKDONJSA-N 1 2 241.335 0.261 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC1(O)CCCC1 ZINC000162612867 349769010 /nfs/dbraw/zinc/76/90/10/349769010.db2.gz ZPSSXECNCDCJEA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC1(O)CCCC1 ZINC000162612867 349769012 /nfs/dbraw/zinc/76/90/12/349769012.db2.gz ZPSSXECNCDCJEA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO O=C(C1CC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000336627216 136264651 /nfs/dbraw/zinc/26/46/51/136264651.db2.gz IYHLJLGEPZPRDI-LBPRGKRZSA-N 1 2 231.299 0.965 20 0 BCADLO C[C@H](CNc1ncccn1)[NH+]1CCN(C)CC1 ZINC000067448140 362030852 /nfs/dbraw/zinc/03/08/52/362030852.db2.gz CTRKMJGNFSNGEY-LLVKDONJSA-N 1 2 235.335 0.524 20 0 BCADLO CC[N@H+](CC(=O)NC(C)(C)C)CC(=O)N(C)C ZINC000042976459 362046384 /nfs/dbraw/zinc/04/63/84/362046384.db2.gz YUMIDAIWNSLZSK-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)(C)C)CC(=O)N(C)C ZINC000042976459 362046388 /nfs/dbraw/zinc/04/63/88/362046388.db2.gz YUMIDAIWNSLZSK-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CC(C)OCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640834384 362062004 /nfs/dbraw/zinc/06/20/04/362062004.db2.gz ODHALXDOASNETI-UHFFFAOYSA-N 1 2 242.323 0.127 20 0 BCADLO CC(C)OCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640834384 362062008 /nfs/dbraw/zinc/06/20/08/362062008.db2.gz ODHALXDOASNETI-UHFFFAOYSA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@@](C)(O)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640954728 362097712 /nfs/dbraw/zinc/09/77/12/362097712.db2.gz WFXZRHYCFBIWQA-GFCCVEGCSA-N 1 2 249.318 0.763 20 0 BCADLO CC[C@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939537 362078754 /nfs/dbraw/zinc/07/87/54/362078754.db2.gz STDALPHRBGMKSI-WCBMZHEXSA-N 1 2 210.281 0.910 20 0 BCADLO CC[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000640938289 362081954 /nfs/dbraw/zinc/08/19/54/362081954.db2.gz GSOFLWJHYMEVMX-VIFPVBQESA-N 1 2 212.297 0.673 20 0 BCADLO CC[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000640938289 362081955 /nfs/dbraw/zinc/08/19/55/362081955.db2.gz GSOFLWJHYMEVMX-VIFPVBQESA-N 1 2 212.297 0.673 20 0 BCADLO CC[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000640938253 362082006 /nfs/dbraw/zinc/08/20/06/362082006.db2.gz GSOFLWJHYMEVMX-SECBINFHSA-N 1 2 212.297 0.673 20 0 BCADLO CC[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000640938253 362082008 /nfs/dbraw/zinc/08/20/08/362082008.db2.gz GSOFLWJHYMEVMX-SECBINFHSA-N 1 2 212.297 0.673 20 0 BCADLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000640995807 362105446 /nfs/dbraw/zinc/10/54/46/362105446.db2.gz SBEHHRIJMHAQBT-RQJHMYQMSA-N 1 2 244.245 0.761 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C12CC(C1)C2 ZINC000625261289 343137384 /nfs/dbraw/zinc/13/73/84/343137384.db2.gz FLOUQEHVEYIZIP-XSRFYTQQSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C12CC(C1)C2 ZINC000625261289 343137385 /nfs/dbraw/zinc/13/73/85/343137385.db2.gz FLOUQEHVEYIZIP-XSRFYTQQSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125364756 343173093 /nfs/dbraw/zinc/17/30/93/343173093.db2.gz VKCWBQOXLSJXKS-SFYZADRCSA-N 1 2 209.249 0.766 20 0 BCADLO CCCNC(=O)CNc1nc[nH+]c(N)c1OC ZINC000134828855 343195636 /nfs/dbraw/zinc/19/56/36/343195636.db2.gz GQKZRLYBRVFFPT-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BCADLO CCCNC(=O)CNc1[nH+]cnc(N)c1OC ZINC000134828855 343195637 /nfs/dbraw/zinc/19/56/37/343195637.db2.gz GQKZRLYBRVFFPT-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BCADLO Cc1nc(N(C)C)nc(NC2(CO)CC2)[nH+]1 ZINC000336767273 136276283 /nfs/dbraw/zinc/27/62/83/136276283.db2.gz PQVCNBWHFJJUGQ-UHFFFAOYSA-N 1 2 223.280 0.183 20 0 BCADLO Cc1nc(NC2(CO)CC2)nc(N(C)C)[nH+]1 ZINC000336767273 136276284 /nfs/dbraw/zinc/27/62/84/136276284.db2.gz PQVCNBWHFJJUGQ-UHFFFAOYSA-N 1 2 223.280 0.183 20 0 BCADLO COCCCCNc1nc[nH+]c(N)c1OC ZINC000134866103 343191603 /nfs/dbraw/zinc/19/16/03/343191603.db2.gz VJHOEPKGQKBNAK-UHFFFAOYSA-N 1 2 226.280 0.906 20 0 BCADLO COCCCCNc1[nH+]cnc(N)c1OC ZINC000134866103 343191604 /nfs/dbraw/zinc/19/16/04/343191604.db2.gz VJHOEPKGQKBNAK-UHFFFAOYSA-N 1 2 226.280 0.906 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)CCCO ZINC000134923056 343192361 /nfs/dbraw/zinc/19/23/61/343192361.db2.gz SFFUGNDVACZGKX-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)CCCO ZINC000134923056 343192363 /nfs/dbraw/zinc/19/23/63/343192363.db2.gz SFFUGNDVACZGKX-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO C[C@@H]1CCN(S(=O)(=O)NCc2c[nH+]c[nH]2)C1 ZINC000625299320 343226476 /nfs/dbraw/zinc/22/64/76/343226476.db2.gz WXOUSZGKFVHBJL-MRVPVSSYSA-N 1 2 244.320 0.086 20 0 BCADLO C[C@@H]1CCN(S(=O)(=O)NCc2c[nH]c[nH+]2)C1 ZINC000625299320 343226477 /nfs/dbraw/zinc/22/64/77/343226477.db2.gz WXOUSZGKFVHBJL-MRVPVSSYSA-N 1 2 244.320 0.086 20 0 BCADLO C[C@H]1CCCN1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625300732 343226969 /nfs/dbraw/zinc/22/69/69/343226969.db2.gz PCKQMWIIVRVOEO-QMMMGPOBSA-N 1 2 244.320 0.228 20 0 BCADLO C[C@H]1CCCN1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625300732 343226971 /nfs/dbraw/zinc/22/69/71/343226971.db2.gz PCKQMWIIVRVOEO-QMMMGPOBSA-N 1 2 244.320 0.228 20 0 BCADLO COCC[C@@H](C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625298479 343227264 /nfs/dbraw/zinc/22/72/64/343227264.db2.gz RNUAQGBGMDLAOG-MRVPVSSYSA-N 1 2 247.320 0.254 20 0 BCADLO COCC[C@@H](C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625298479 343227267 /nfs/dbraw/zinc/22/72/67/343227267.db2.gz RNUAQGBGMDLAOG-MRVPVSSYSA-N 1 2 247.320 0.254 20 0 BCADLO CC1(S(=O)(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000625300071 343228608 /nfs/dbraw/zinc/22/86/08/343228608.db2.gz LMSRPFZZGOSYCM-UHFFFAOYSA-N 1 2 215.278 0.382 20 0 BCADLO CC1(S(=O)(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000625300071 343228610 /nfs/dbraw/zinc/22/86/10/343228610.db2.gz LMSRPFZZGOSYCM-UHFFFAOYSA-N 1 2 215.278 0.382 20 0 BCADLO CCC(=O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035016 362146085 /nfs/dbraw/zinc/14/60/85/362146085.db2.gz AOUJMJUTHQHMGA-UHFFFAOYSA-N 1 2 205.221 0.642 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C(F)F ZINC000641026004 362142715 /nfs/dbraw/zinc/14/27/15/362142715.db2.gz RPCDGAPREYIEJA-ZETCQYMHSA-N 1 2 232.234 0.836 20 0 BCADLO COc1cc[nH+]c(Cn2cc(CO)nn2)c1 ZINC000641030992 362144131 /nfs/dbraw/zinc/14/41/31/362144131.db2.gz RVFQMHAGZSUCFZ-UHFFFAOYSA-N 1 2 220.232 0.222 20 0 BCADLO C/C=C/c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032149 362145229 /nfs/dbraw/zinc/14/52/29/362145229.db2.gz CBFWCRWWRJEVKA-NSCUHMNNSA-N 1 2 222.292 0.643 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn(C)nn2)CCC1=O ZINC000625332655 343237630 /nfs/dbraw/zinc/23/76/30/343237630.db2.gz JGTUWKKNBFZFMB-SECBINFHSA-N 1 2 222.292 0.269 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn(C)nn2)CCC1=O ZINC000625332655 343237631 /nfs/dbraw/zinc/23/76/31/343237631.db2.gz JGTUWKKNBFZFMB-SECBINFHSA-N 1 2 222.292 0.269 20 0 BCADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)C(F)F ZINC000641020159 362134305 /nfs/dbraw/zinc/13/43/05/362134305.db2.gz LYCZPVMJUYHPEO-LURJTMIESA-N 1 2 232.234 0.873 20 0 BCADLO CC(C)(C)NC(=S)NCC[NH+]1CCOCC1 ZINC000035082125 343284077 /nfs/dbraw/zinc/28/40/77/343284077.db2.gz UFSFPRSMPJCKNE-UHFFFAOYSA-N 1 2 245.392 0.581 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000600318365 343285104 /nfs/dbraw/zinc/28/51/04/343285104.db2.gz NYOZOYXDTIWBAC-QMMMGPOBSA-N 1 2 239.275 0.281 20 0 BCADLO CSCCC(=O)NCCc1c[nH+]cn1C ZINC000121582787 343267657 /nfs/dbraw/zinc/26/76/57/343267657.db2.gz RBJZMARBEHZZMH-UHFFFAOYSA-N 1 2 227.333 0.832 20 0 BCADLO CO[C@@H](C)CCC(=O)NCCc1c[nH+]cn1C ZINC000121621594 343268278 /nfs/dbraw/zinc/26/82/78/343268278.db2.gz ZOJPMFWBQZLNTK-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccco1 ZINC000088094548 136285673 /nfs/dbraw/zinc/28/56/73/136285673.db2.gz HLCJPJCWVFJOJY-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccco1 ZINC000088094548 136285674 /nfs/dbraw/zinc/28/56/74/136285674.db2.gz HLCJPJCWVFJOJY-ONGXEEELSA-N 1 2 211.261 0.861 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(CC(C)(C)CO)nn1 ZINC000641038487 362151668 /nfs/dbraw/zinc/15/16/68/362151668.db2.gz PCWACWXNVGCJBQ-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CCCn1ncnc1C[NH+]1CCC(CO)CC1 ZINC000088619515 136285861 /nfs/dbraw/zinc/28/58/61/136285861.db2.gz KZOIFKFPNHZGOV-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCc1cc(N[C@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000631137559 343301303 /nfs/dbraw/zinc/30/13/03/343301303.db2.gz GFRQQWRHFLYZPK-JTQLQIEISA-N 1 2 249.318 0.994 20 0 BCADLO CCc1cc(N[C@@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000631137560 343301312 /nfs/dbraw/zinc/30/13/12/343301312.db2.gz GFRQQWRHFLYZPK-SNVBAGLBSA-N 1 2 249.318 0.994 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599050 343357807 /nfs/dbraw/zinc/35/78/07/343357807.db2.gz PYNOZFMCSQGRCD-NSHDSACASA-N 1 2 241.379 0.927 20 0 BCADLO CC[C@H]([NH2+]CC(=O)NC)c1nccs1 ZINC000070634281 343336763 /nfs/dbraw/zinc/33/67/63/343336763.db2.gz GOPNUFOYUUYXLN-ZETCQYMHSA-N 1 2 213.306 0.930 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(CC)C(=O)C1 ZINC000348803594 136301578 /nfs/dbraw/zinc/30/15/78/136301578.db2.gz BYAFVRODSQWCMX-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C(F)F ZINC000348836661 136302268 /nfs/dbraw/zinc/30/22/68/136302268.db2.gz YPMZURQRNYIPFF-QMMMGPOBSA-N 1 2 245.229 0.559 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCO ZINC000177672445 346935591 /nfs/dbraw/zinc/93/55/91/346935591.db2.gz VAXINSQQRYVSGU-GFCCVEGCSA-N 1 2 235.283 0.579 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCO ZINC000177672445 346935594 /nfs/dbraw/zinc/93/55/94/346935594.db2.gz VAXINSQQRYVSGU-GFCCVEGCSA-N 1 2 235.283 0.579 20 0 BCADLO Cc1cc[nH+]cc1Cn1cc(CCO)nn1 ZINC000641070871 362181161 /nfs/dbraw/zinc/18/11/61/362181161.db2.gz PVNYTLIWHPGQHP-UHFFFAOYSA-N 1 2 218.260 0.565 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000348959740 136310358 /nfs/dbraw/zinc/31/03/58/136310358.db2.gz WVOTYLCQHHJQPT-YUMQZZPRSA-N 1 2 227.264 0.029 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000348959740 136310359 /nfs/dbraw/zinc/31/03/59/136310359.db2.gz WVOTYLCQHHJQPT-YUMQZZPRSA-N 1 2 227.264 0.029 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000335661727 136315162 /nfs/dbraw/zinc/31/51/62/136315162.db2.gz XDLJCFMMJOUZMJ-QMMMGPOBSA-N 1 2 224.264 0.178 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000335661727 136315163 /nfs/dbraw/zinc/31/51/63/136315163.db2.gz XDLJCFMMJOUZMJ-QMMMGPOBSA-N 1 2 224.264 0.178 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000349006721 136316537 /nfs/dbraw/zinc/31/65/37/136316537.db2.gz MEYUUKNQEGKGKM-JTQLQIEISA-N 1 2 228.271 0.112 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000349006721 136316538 /nfs/dbraw/zinc/31/65/38/136316538.db2.gz MEYUUKNQEGKGKM-JTQLQIEISA-N 1 2 228.271 0.112 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@H](F)C[C@H]1CO ZINC000335736764 136350734 /nfs/dbraw/zinc/35/07/34/136350734.db2.gz YXDGLHUYFLQSPJ-BDAKNGLRSA-N 1 2 213.256 0.325 20 0 BCADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCOC1 ZINC000349197117 136331481 /nfs/dbraw/zinc/33/14/81/136331481.db2.gz VQOPCSIHWPWROS-SNVBAGLBSA-N 1 2 209.249 0.453 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cccn1 ZINC000042532640 343441706 /nfs/dbraw/zinc/44/17/06/343441706.db2.gz CNBJDOSPZJTAHN-NSHDSACASA-N 1 2 247.302 0.675 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)n1cncn1 ZINC000042535265 343441793 /nfs/dbraw/zinc/44/17/93/343441793.db2.gz LVROGMZMPJMLEF-UWVGGRQHSA-N 1 2 248.290 0.241 20 0 BCADLO NC(=O)c1cc(C[NH2+]Cc2cccc(O)c2)on1 ZINC000350458491 136360954 /nfs/dbraw/zinc/36/09/54/136360954.db2.gz JVUUSWSQDMEBNX-UHFFFAOYSA-N 1 2 247.254 0.769 20 0 BCADLO COCc1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000350496712 136361394 /nfs/dbraw/zinc/36/13/94/136361394.db2.gz DXLMPWQPABHWOH-VIFPVBQESA-N 1 2 241.291 0.998 20 0 BCADLO COCc1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000350496712 136361395 /nfs/dbraw/zinc/36/13/95/136361395.db2.gz DXLMPWQPABHWOH-VIFPVBQESA-N 1 2 241.291 0.998 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+]CCCCOC ZINC000166616402 136361760 /nfs/dbraw/zinc/36/17/60/136361760.db2.gz VSTNZYMFWUYOOX-VIFPVBQESA-N 1 2 202.298 0.527 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000042791824 343453867 /nfs/dbraw/zinc/45/38/67/343453867.db2.gz XXNYMDJBPIGGQQ-QMMMGPOBSA-N 1 2 202.323 0.512 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@H](CO)O1 ZINC000191773679 136364658 /nfs/dbraw/zinc/36/46/58/136364658.db2.gz CLJSDUXZONPGEP-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H](CO)O1 ZINC000191773679 136364659 /nfs/dbraw/zinc/36/46/59/136364659.db2.gz CLJSDUXZONPGEP-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)nn1C ZINC000581438755 346940907 /nfs/dbraw/zinc/94/09/07/346940907.db2.gz ABKCWWYZWYNMAG-MRVPVSSYSA-N 1 2 237.307 0.402 20 0 BCADLO C[S@@](=O)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000582130432 346940964 /nfs/dbraw/zinc/94/09/64/346940964.db2.gz CRAIHHHYLCCENS-MRXNPFEDSA-N 1 2 246.376 0.213 20 0 BCADLO Cc1cnn(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351117903 136367912 /nfs/dbraw/zinc/36/79/12/136367912.db2.gz RDYFFFSNVUWXEV-TUAOUCFPSA-N 1 2 248.330 0.387 20 0 BCADLO C[C@H](O)CCCc1cn(CCn2cc[nH+]c2)nn1 ZINC000641122888 362230736 /nfs/dbraw/zinc/23/07/36/362230736.db2.gz DHDCLYXQWJUCLN-NSHDSACASA-N 1 2 249.318 0.878 20 0 BCADLO CC(C)[C@H](O)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124229 362231092 /nfs/dbraw/zinc/23/10/92/362231092.db2.gz XYBYSUHBQFJKJG-GFCCVEGCSA-N 1 2 249.318 0.734 20 0 BCADLO C[C@H](C(=O)NC1CC(F)(F)C1)[NH+]1CCOCC1 ZINC000335906987 136370965 /nfs/dbraw/zinc/37/09/65/136370965.db2.gz DPMDYNYLUPTVAN-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO C[NH2+]Cc1noc([C@H](N)c2ccccc2OC)n1 ZINC000576989353 365746159 /nfs/dbraw/zinc/74/61/59/365746159.db2.gz FRNYBCLWGQVBIJ-LLVKDONJSA-N 1 2 248.286 0.846 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000308947661 346943168 /nfs/dbraw/zinc/94/31/68/346943168.db2.gz WRVQKAQPBPZHQB-SSDOTTSWSA-N 1 2 227.289 0.533 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000308947661 346943169 /nfs/dbraw/zinc/94/31/69/346943169.db2.gz WRVQKAQPBPZHQB-SSDOTTSWSA-N 1 2 227.289 0.533 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)C[C@@H](C)O ZINC000398584826 488220688 /nfs/dbraw/zinc/22/06/88/488220688.db2.gz VOCMVUBHVKFFAU-JGVFFNPUSA-N 1 2 240.307 0.308 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)C[C@@H](C)O ZINC000398584826 488220691 /nfs/dbraw/zinc/22/06/91/488220691.db2.gz VOCMVUBHVKFFAU-JGVFFNPUSA-N 1 2 240.307 0.308 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@H](OC)C1 ZINC000602895059 349812889 /nfs/dbraw/zinc/81/28/89/349812889.db2.gz FKBJMOFVWJPMJC-NSHDSACASA-N 1 2 231.292 0.634 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@H](OC)C1 ZINC000602895059 349812893 /nfs/dbraw/zinc/81/28/93/349812893.db2.gz FKBJMOFVWJPMJC-NSHDSACASA-N 1 2 231.292 0.634 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000536350283 343506791 /nfs/dbraw/zinc/50/67/91/343506791.db2.gz SPSBKPZVJNSAJT-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO Cn1cnnc1C[N@H+]1CCSC[C@@H]1CCO ZINC000536350283 343506795 /nfs/dbraw/zinc/50/67/95/343506795.db2.gz SPSBKPZVJNSAJT-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO O=C(CC(F)(F)F)NCCn1cc[nH+]c1 ZINC000044602244 343509657 /nfs/dbraw/zinc/50/96/57/343509657.db2.gz QTFUNEFGLAKJLO-UHFFFAOYSA-N 1 2 221.182 0.952 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@H](OC)C1 ZINC000602900020 349815278 /nfs/dbraw/zinc/81/52/78/349815278.db2.gz WYLJRQVIYMMOPF-JTQLQIEISA-N 1 2 217.265 0.244 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@H](OC)C1 ZINC000602900020 349815282 /nfs/dbraw/zinc/81/52/82/349815282.db2.gz WYLJRQVIYMMOPF-JTQLQIEISA-N 1 2 217.265 0.244 20 0 BCADLO C[C@@H]1OCC[C@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641161141 362246496 /nfs/dbraw/zinc/24/64/96/362246496.db2.gz VILUWUDHEIXDNH-QWRGUYRKSA-N 1 2 247.302 0.948 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000577010394 365760436 /nfs/dbraw/zinc/76/04/36/365760436.db2.gz LKDOFPWBNPBKAD-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000577010394 365760439 /nfs/dbraw/zinc/76/04/39/365760439.db2.gz LKDOFPWBNPBKAD-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO CO[C@@H]1C[N@H+](CCC(=O)OC(C)C)CCO1 ZINC000602899563 349815516 /nfs/dbraw/zinc/81/55/16/349815516.db2.gz QTHFXBYAJMMTMC-NSHDSACASA-N 1 2 231.292 0.633 20 0 BCADLO CO[C@@H]1C[N@@H+](CCC(=O)OC(C)C)CCO1 ZINC000602899563 349815518 /nfs/dbraw/zinc/81/55/18/349815518.db2.gz QTHFXBYAJMMTMC-NSHDSACASA-N 1 2 231.292 0.633 20 0 BCADLO Cn1c(C[N@H+](C)CCCO)nnc1C1CCC1 ZINC000577020903 365770531 /nfs/dbraw/zinc/77/05/31/365770531.db2.gz YQLPFAVIZVYTRO-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO Cn1c(C[N@@H+](C)CCCO)nnc1C1CCC1 ZINC000577020903 365770538 /nfs/dbraw/zinc/77/05/38/365770538.db2.gz YQLPFAVIZVYTRO-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245352 343553435 /nfs/dbraw/zinc/55/34/35/343553435.db2.gz ZROBUCSRHJFOKF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2csnn2)C1 ZINC000398677417 488222648 /nfs/dbraw/zinc/22/26/48/488222648.db2.gz VXRQEZIQNVERIP-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2csnn2)C1 ZINC000398677417 488222652 /nfs/dbraw/zinc/22/26/52/488222652.db2.gz VXRQEZIQNVERIP-DTWKUNHWSA-N 1 2 227.333 0.988 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281910083 343565494 /nfs/dbraw/zinc/56/54/94/343565494.db2.gz UTKPDPKWGOGYJK-QMMMGPOBSA-N 1 2 239.275 0.362 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281910083 343565497 /nfs/dbraw/zinc/56/54/97/343565497.db2.gz UTKPDPKWGOGYJK-QMMMGPOBSA-N 1 2 239.275 0.362 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)[nH]1 ZINC000488030501 529737127 /nfs/dbraw/zinc/73/71/27/529737127.db2.gz ZFIMGRBILHXYCQ-DTORHVGOSA-N 1 2 240.307 0.213 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)[nH]1 ZINC000488030501 529737128 /nfs/dbraw/zinc/73/71/28/529737128.db2.gz ZFIMGRBILHXYCQ-DTORHVGOSA-N 1 2 240.307 0.213 20 0 BCADLO Cc1ccc2[nH+]c(CNS(C)(=O)=O)cn2c1 ZINC000048674213 343585948 /nfs/dbraw/zinc/58/59/48/343585948.db2.gz ZDXRXFHFCPIIHE-UHFFFAOYSA-N 1 2 239.300 0.692 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C(C)(C)C ZINC000622738235 343592767 /nfs/dbraw/zinc/59/27/67/343592767.db2.gz HTPZEZZFFORQMV-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C(C)(C)C ZINC000622738235 343592768 /nfs/dbraw/zinc/59/27/68/343592768.db2.gz HTPZEZZFFORQMV-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CSC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000602945168 349818664 /nfs/dbraw/zinc/81/86/64/349818664.db2.gz XVYFFEWOYDJZET-SNVBAGLBSA-N 1 2 229.349 0.874 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000602945168 349818666 /nfs/dbraw/zinc/81/86/66/349818666.db2.gz XVYFFEWOYDJZET-SNVBAGLBSA-N 1 2 229.349 0.874 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000053398699 343647867 /nfs/dbraw/zinc/64/78/67/343647867.db2.gz BZVAGEHCFWTSEO-UHFFFAOYSA-N 1 2 238.287 0.684 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580583592 365793900 /nfs/dbraw/zinc/79/39/00/365793900.db2.gz XLRBGBHSKGLJIS-JMJZKYOTSA-N 1 2 237.303 0.882 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580583592 365793906 /nfs/dbraw/zinc/79/39/06/365793906.db2.gz XLRBGBHSKGLJIS-JMJZKYOTSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H](C(N)=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053810969 343652857 /nfs/dbraw/zinc/65/28/57/343652857.db2.gz SQTRFYVDXKKMRI-NSHDSACASA-N 1 2 248.330 0.073 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000053810969 343652859 /nfs/dbraw/zinc/65/28/59/343652859.db2.gz SQTRFYVDXKKMRI-NSHDSACASA-N 1 2 248.330 0.073 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000087924150 343665806 /nfs/dbraw/zinc/66/58/06/343665806.db2.gz SHKQKQOBOMJAPF-VXNVDRBHSA-N 1 2 209.249 0.593 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000087924150 343665808 /nfs/dbraw/zinc/66/58/08/343665808.db2.gz SHKQKQOBOMJAPF-VXNVDRBHSA-N 1 2 209.249 0.593 20 0 BCADLO COC[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000582131822 346957970 /nfs/dbraw/zinc/95/79/70/346957970.db2.gz SSLRMQYPSMGOHQ-SNVBAGLBSA-N 1 2 244.335 0.106 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000678266798 488230232 /nfs/dbraw/zinc/23/02/32/488230232.db2.gz KYBKWVSHPUWDHL-RKDXNWHRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000678266798 488230234 /nfs/dbraw/zinc/23/02/34/488230234.db2.gz KYBKWVSHPUWDHL-RKDXNWHRSA-N 1 2 245.348 0.663 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000048040490 343703595 /nfs/dbraw/zinc/70/35/95/343703595.db2.gz UGFFRYPOVJGYFL-ZETCQYMHSA-N 1 2 242.710 0.381 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000048040490 343703597 /nfs/dbraw/zinc/70/35/97/343703597.db2.gz UGFFRYPOVJGYFL-ZETCQYMHSA-N 1 2 242.710 0.381 20 0 BCADLO CCCCNC(=O)C[NH+]1CCSCC1 ZINC000047986870 343685629 /nfs/dbraw/zinc/68/56/29/343685629.db2.gz SRJKWWXSIYMGDY-UHFFFAOYSA-N 1 2 216.350 0.952 20 0 BCADLO CN1C[C@H](C[N@H+](C2CC2)C2COC2)OC1=O ZINC000496177791 529824854 /nfs/dbraw/zinc/82/48/54/529824854.db2.gz JDZRZLJLTNWIOA-SNVBAGLBSA-N 1 2 226.276 0.300 20 0 BCADLO CN1C[C@H](C[N@@H+](C2CC2)C2COC2)OC1=O ZINC000496177791 529824856 /nfs/dbraw/zinc/82/48/56/529824856.db2.gz JDZRZLJLTNWIOA-SNVBAGLBSA-N 1 2 226.276 0.300 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCN(C)CC2(C)C)OC1=O ZINC000495724962 529825598 /nfs/dbraw/zinc/82/55/98/529825598.db2.gz DAFQFWBVWBTHIJ-SNVBAGLBSA-N 1 2 241.335 0.463 20 0 BCADLO CN1C[C@H](C[N@H+]2CCN(C)CC2(C)C)OC1=O ZINC000495724962 529825599 /nfs/dbraw/zinc/82/55/99/529825599.db2.gz DAFQFWBVWBTHIJ-SNVBAGLBSA-N 1 2 241.335 0.463 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCOCC2(C)C)OC1=O ZINC000496786853 529825715 /nfs/dbraw/zinc/82/57/15/529825715.db2.gz RPUCLCCDJMDECB-SECBINFHSA-N 1 2 228.292 0.548 20 0 BCADLO CN1C[C@H](C[N@H+]2CCOCC2(C)C)OC1=O ZINC000496786853 529825716 /nfs/dbraw/zinc/82/57/16/529825716.db2.gz RPUCLCCDJMDECB-SECBINFHSA-N 1 2 228.292 0.548 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)no1 ZINC000341004189 343721638 /nfs/dbraw/zinc/72/16/38/343721638.db2.gz AKXFLOFGXDDXMI-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)[C@H](CC)C2)no1 ZINC000341004189 343721639 /nfs/dbraw/zinc/72/16/39/343721639.db2.gz AKXFLOFGXDDXMI-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO COC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000051155072 346966194 /nfs/dbraw/zinc/96/61/94/346966194.db2.gz YTLXDGXNDXTHGG-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COC(=O)CCCC(=O)NCc1c[nH+]cn1C ZINC000291151051 349869083 /nfs/dbraw/zinc/86/90/83/349869083.db2.gz GVJKOBQVBGHTNS-UHFFFAOYSA-N 1 2 239.275 0.380 20 0 BCADLO C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000627370374 346985255 /nfs/dbraw/zinc/98/52/55/346985255.db2.gz XJHBVETUFIFBHY-GFCCVEGCSA-N 1 2 235.287 0.721 20 0 BCADLO C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000627370374 346985258 /nfs/dbraw/zinc/98/52/58/346985258.db2.gz XJHBVETUFIFBHY-GFCCVEGCSA-N 1 2 235.287 0.721 20 0 BCADLO CC(C)OC(=O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000603162021 349880106 /nfs/dbraw/zinc/88/01/06/349880106.db2.gz MWOJTFSJTPOIFC-UHFFFAOYSA-N 1 2 235.247 0.615 20 0 BCADLO CN(CCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492767662 529892230 /nfs/dbraw/zinc/89/22/30/529892230.db2.gz NVAVMAJFCXLAHL-ONEGZZNKSA-N 1 2 209.249 0.264 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)CN1Cc1c[nH+]c[nH]1 ZINC000179643782 346991830 /nfs/dbraw/zinc/99/18/30/346991830.db2.gz BUNZNAKNRGYCOT-VHSXEESVSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)CN1Cc1c[nH]c[nH+]1 ZINC000179643782 346991832 /nfs/dbraw/zinc/99/18/32/346991832.db2.gz BUNZNAKNRGYCOT-VHSXEESVSA-N 1 2 239.275 0.172 20 0 BCADLO CC(C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678349035 488245072 /nfs/dbraw/zinc/24/50/72/488245072.db2.gz GPDPTIDAWLBQRA-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC=C(C)C)nn1 ZINC000603181213 349887884 /nfs/dbraw/zinc/88/78/84/349887884.db2.gz SSEIRWRCCRIENZ-JTQLQIEISA-N 1 2 238.291 0.287 20 0 BCADLO CSCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000603225555 349888680 /nfs/dbraw/zinc/88/86/80/349888680.db2.gz AEBBHEXHEFTSII-UHFFFAOYSA-N 1 2 244.364 0.455 20 0 BCADLO CSCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000603225555 349888681 /nfs/dbraw/zinc/88/86/81/349888681.db2.gz AEBBHEXHEFTSII-UHFFFAOYSA-N 1 2 244.364 0.455 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)CC[S@@]1=O ZINC000429561518 192368354 /nfs/dbraw/zinc/36/83/54/192368354.db2.gz RPRYNKACAMSFNQ-LYGAQUJYSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)CC[S@@]1=O ZINC000429561518 192368357 /nfs/dbraw/zinc/36/83/57/192368357.db2.gz RPRYNKACAMSFNQ-LYGAQUJYSA-N 1 2 244.360 0.060 20 0 BCADLO C[NH+]1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC000407983245 343945101 /nfs/dbraw/zinc/94/51/01/343945101.db2.gz BTKSTTVRYCXWBX-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO OC1(CCn2cc(Cn3cc[nH+]c3)nn2)CCC1 ZINC000641177105 362254571 /nfs/dbraw/zinc/25/45/71/362254571.db2.gz OSJYZZWOKULUPG-UHFFFAOYSA-N 1 2 247.302 0.828 20 0 BCADLO CCc1nc(N2CCOC[C@H](O)C2)cc(C)[nH+]1 ZINC000296307517 343935187 /nfs/dbraw/zinc/93/51/87/343935187.db2.gz NEAHPVKWKSELSF-SNVBAGLBSA-N 1 2 237.303 0.545 20 0 BCADLO CCNC(=O)CN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628120799 343971339 /nfs/dbraw/zinc/97/13/39/343971339.db2.gz DULWJSOZWCPNFN-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CSC[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600417724 343950171 /nfs/dbraw/zinc/95/01/71/343950171.db2.gz AKCUAXKLJYRHFB-UWVGGRQHSA-N 1 2 246.376 0.432 20 0 BCADLO CSC[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600417724 343950172 /nfs/dbraw/zinc/95/01/72/343950172.db2.gz AKCUAXKLJYRHFB-UWVGGRQHSA-N 1 2 246.376 0.432 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cncs1 ZINC000092041473 343952571 /nfs/dbraw/zinc/95/25/71/343952571.db2.gz FIYUACBENCBIGG-IUCAKERBSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cncs1 ZINC000092041473 343952572 /nfs/dbraw/zinc/95/25/72/343952572.db2.gz FIYUACBENCBIGG-IUCAKERBSA-N 1 2 228.317 0.725 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000249705538 362277742 /nfs/dbraw/zinc/27/77/42/362277742.db2.gz AJRIDZBFNIYOHQ-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000249705538 362277749 /nfs/dbraw/zinc/27/77/49/362277749.db2.gz AJRIDZBFNIYOHQ-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO COC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000558551502 343962143 /nfs/dbraw/zinc/96/21/43/343962143.db2.gz ZVECXNRAGHOECE-VIFPVBQESA-N 1 2 223.276 0.210 20 0 BCADLO COCC[NH+](CCOC)Cc1nc(C)c[nH]1 ZINC000628118929 343969510 /nfs/dbraw/zinc/96/95/10/343969510.db2.gz RCDAONWUHUUQMI-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628118828 343969556 /nfs/dbraw/zinc/96/95/56/343969556.db2.gz MFJNJGYYEUQXEF-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO O[C@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC000625713416 344051230 /nfs/dbraw/zinc/05/12/30/344051230.db2.gz CWTZUJAQZMDBAV-QWRGUYRKSA-N 1 2 224.260 0.089 20 0 BCADLO O[C@H]1C[NH+](Cc2ccc(Cl)cn2)C[C@@H]1O ZINC000625713240 344051440 /nfs/dbraw/zinc/05/14/40/344051440.db2.gz SWBPHXCYFYOSEL-UWVGGRQHSA-N 1 2 228.679 0.272 20 0 BCADLO Oc1ccc(Cl)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000625713566 344051800 /nfs/dbraw/zinc/05/18/00/344051800.db2.gz KEYKWUJOQYQJAL-QWRGUYRKSA-N 1 2 243.690 0.583 20 0 BCADLO CC(C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641249089 362323974 /nfs/dbraw/zinc/32/39/74/362323974.db2.gz HHCGKVJBSTXZTD-UHFFFAOYSA-N 1 2 231.321 0.459 20 0 BCADLO CCC[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641249194 362324306 /nfs/dbraw/zinc/32/43/06/362324306.db2.gz DUMLWKZTAQBSOY-JTQLQIEISA-N 1 2 245.348 0.991 20 0 BCADLO CCCCN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641250071 362324800 /nfs/dbraw/zinc/32/48/00/362324800.db2.gz CMNIFIYRLBFRPZ-UHFFFAOYSA-N 1 2 245.348 0.945 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn(C2CC2)nn1 ZINC000625741444 344060671 /nfs/dbraw/zinc/06/06/71/344060671.db2.gz CAKUNHGBJZXQOP-UHFFFAOYSA-N 1 2 232.247 0.266 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn(C2CC2)nn1 ZINC000625741444 344060675 /nfs/dbraw/zinc/06/06/75/344060675.db2.gz CAKUNHGBJZXQOP-UHFFFAOYSA-N 1 2 232.247 0.266 20 0 BCADLO CC[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641249856 362325266 /nfs/dbraw/zinc/32/52/66/362325266.db2.gz OIEROLPSRHGFSK-VIFPVBQESA-N 1 2 231.321 0.601 20 0 BCADLO CCO[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000625742701 344061579 /nfs/dbraw/zinc/06/15/79/344061579.db2.gz PCLGQVFAPMCUMU-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO CCO[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000625742701 344061581 /nfs/dbraw/zinc/06/15/81/344061581.db2.gz PCLGQVFAPMCUMU-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641265097 362338485 /nfs/dbraw/zinc/33/84/85/362338485.db2.gz VGPIBCNBQXSGMW-MRVPVSSYSA-N 1 2 223.276 0.510 20 0 BCADLO CC(=O)N1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641264840 362338631 /nfs/dbraw/zinc/33/86/31/362338631.db2.gz DWHTWPPEBPHROS-UHFFFAOYSA-N 1 2 249.314 0.997 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641265099 362338966 /nfs/dbraw/zinc/33/89/66/362338966.db2.gz VGPIBCNBQXSGMW-QMMMGPOBSA-N 1 2 223.276 0.510 20 0 BCADLO OCc1cc[nH+]c(NCc2nnc3n2CCC3)c1 ZINC000641274595 362341056 /nfs/dbraw/zinc/34/10/56/362341056.db2.gz ZLKSTYSPQJMZLR-UHFFFAOYSA-N 1 2 245.286 0.724 20 0 BCADLO O=C(NCCNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641281468 362343775 /nfs/dbraw/zinc/34/37/75/362343775.db2.gz XGNLEIKLXHVJDC-UHFFFAOYSA-N 1 2 235.287 0.512 20 0 BCADLO Cc1cncnc1N[C@H](C)C[NH+]1CCOCC1 ZINC000641295071 362348354 /nfs/dbraw/zinc/34/83/54/362348354.db2.gz LNWKSBXCGUUMKC-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CCOC[C@@H]([NH2+]CC(=O)OC)C(C)C ZINC000233725765 344118789 /nfs/dbraw/zinc/11/87/89/344118789.db2.gz CSCOAOIHQKAXDE-SECBINFHSA-N 1 2 203.282 0.810 20 0 BCADLO CC(C)NC(=O)CCNc1cc(CO)cc[nH+]1 ZINC000641301307 362353903 /nfs/dbraw/zinc/35/39/03/362353903.db2.gz PUCCOTHHPRUNIM-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO CC(C)OC(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000603240922 349904128 /nfs/dbraw/zinc/90/41/28/349904128.db2.gz IJIKGBOKRDLRLG-UHFFFAOYSA-N 1 2 249.274 0.740 20 0 BCADLO CNc1cnc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000230116457 344174521 /nfs/dbraw/zinc/17/45/21/344174521.db2.gz JDKKIJSXBZDAOG-UHFFFAOYSA-N 1 2 246.274 0.214 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@@H](C)C(=O)NC)no1 ZINC000081529612 344144456 /nfs/dbraw/zinc/14/44/56/344144456.db2.gz YGEKCICPWFIVKX-MRVPVSSYSA-N 1 2 240.307 0.446 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@@H](C)C(=O)NC)no1 ZINC000081529612 344144457 /nfs/dbraw/zinc/14/44/57/344144457.db2.gz YGEKCICPWFIVKX-MRVPVSSYSA-N 1 2 240.307 0.446 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000299919678 344147980 /nfs/dbraw/zinc/14/79/80/344147980.db2.gz WSSRYHWGVOWSLP-PSASIEDQSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000299919678 344147982 /nfs/dbraw/zinc/14/79/82/344147982.db2.gz WSSRYHWGVOWSLP-PSASIEDQSA-N 1 2 212.249 0.256 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754203 344207502 /nfs/dbraw/zinc/20/75/02/344207502.db2.gz WYEXYRYEMOGBMJ-HTQZYQBOSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754203 344207505 /nfs/dbraw/zinc/20/75/05/344207505.db2.gz WYEXYRYEMOGBMJ-HTQZYQBOSA-N 1 2 234.246 0.231 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1[nH]cc(C)[nH+]1 ZINC000628134591 344187983 /nfs/dbraw/zinc/18/79/83/344187983.db2.gz VQKKXKCBHSEHEI-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634750424 344192399 /nfs/dbraw/zinc/19/23/99/344192399.db2.gz WMPZQFYHTQZGQE-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634750424 344192401 /nfs/dbraw/zinc/19/24/01/344192401.db2.gz WMPZQFYHTQZGQE-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000588899932 344197984 /nfs/dbraw/zinc/19/79/84/344197984.db2.gz MPCNQLLVYROASR-LLVKDONJSA-N 1 2 234.303 0.407 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2nc(C)ncc2C1 ZINC000588899932 344197987 /nfs/dbraw/zinc/19/79/87/344197987.db2.gz MPCNQLLVYROASR-LLVKDONJSA-N 1 2 234.303 0.407 20 0 BCADLO Cc1nnc([C@H](C)[N@H+](C)C2CC(O)C2)o1 ZINC000408215396 344251546 /nfs/dbraw/zinc/25/15/46/344251546.db2.gz PSFGBTZDQUZSBG-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+](C)C2CC(O)C2)o1 ZINC000408215396 344251548 /nfs/dbraw/zinc/25/15/48/344251548.db2.gz PSFGBTZDQUZSBG-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO C[C@@H]1COCCN1CCNc1cc[nH+]cc1F ZINC000641343178 362371306 /nfs/dbraw/zinc/37/13/06/362371306.db2.gz CLHUAHOXPZERBB-SNVBAGLBSA-N 1 2 239.294 0.775 20 0 BCADLO Cc1cncnc1-n1c[nH+]c(CCCO)c1 ZINC000641363802 362377153 /nfs/dbraw/zinc/37/71/53/362377153.db2.gz XYFNIJPXGIPHGO-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO CNC(=O)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641368652 362378630 /nfs/dbraw/zinc/37/86/30/362378630.db2.gz WMVUCURECNHQIW-LLVKDONJSA-N 1 2 249.314 0.536 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1F ZINC000625869444 344242445 /nfs/dbraw/zinc/24/24/45/344242445.db2.gz PBEAZAIRQYQGQG-JTQLQIEISA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1F ZINC000625869444 344242448 /nfs/dbraw/zinc/24/24/48/344242448.db2.gz PBEAZAIRQYQGQG-JTQLQIEISA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000625869591 344242535 /nfs/dbraw/zinc/24/25/35/344242535.db2.gz WYTPPLAFICZOAI-NSHDSACASA-N 1 2 234.303 0.279 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000625869591 344242536 /nfs/dbraw/zinc/24/25/36/344242536.db2.gz WYTPPLAFICZOAI-NSHDSACASA-N 1 2 234.303 0.279 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(N)=O)c(C)o1 ZINC000625869541 344242549 /nfs/dbraw/zinc/24/25/49/344242549.db2.gz UOHVLQNYGCMBMJ-JTQLQIEISA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]2C(N)=O)c(C)o1 ZINC000625869541 344242550 /nfs/dbraw/zinc/24/25/50/344242550.db2.gz UOHVLQNYGCMBMJ-JTQLQIEISA-N 1 2 223.276 0.741 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000093278046 344313596 /nfs/dbraw/zinc/31/35/96/344313596.db2.gz ZQWHCPDXQXTGPF-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000093278046 344313599 /nfs/dbraw/zinc/31/35/99/344313599.db2.gz ZQWHCPDXQXTGPF-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000093278046 344313601 /nfs/dbraw/zinc/31/36/01/344313601.db2.gz ZQWHCPDXQXTGPF-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO CN(CCN1CCCC1=O)c1cc(CO)cc[nH+]1 ZINC000641374046 362381911 /nfs/dbraw/zinc/38/19/11/362381911.db2.gz RWYRADQHIHKKOV-UHFFFAOYSA-N 1 2 249.314 0.633 20 0 BCADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000093278046 344313604 /nfs/dbraw/zinc/31/36/04/344313604.db2.gz ZQWHCPDXQXTGPF-LBPRGKRZSA-N 1 2 248.330 0.997 20 0 BCADLO C[C@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048539638 344322043 /nfs/dbraw/zinc/32/20/43/344322043.db2.gz RHXSCJDNPBTXSC-SECBINFHSA-N 1 2 248.286 0.514 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782745 344324855 /nfs/dbraw/zinc/32/48/55/344324855.db2.gz YHLMESLNAUBFLN-DTORHVGOSA-N 1 2 209.249 0.456 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782745 344324858 /nfs/dbraw/zinc/32/48/58/344324858.db2.gz YHLMESLNAUBFLN-DTORHVGOSA-N 1 2 209.249 0.456 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606967 344357799 /nfs/dbraw/zinc/35/77/99/344357799.db2.gz CENZHEVUPXHXKO-RKDXNWHRSA-N 1 2 225.292 0.758 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570807147 323071238 /nfs/dbraw/zinc/07/12/38/323071238.db2.gz SOTNTFDTCBTHGY-VWYCJHECSA-N 1 2 239.319 0.967 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccns1 ZINC000600859777 344383408 /nfs/dbraw/zinc/38/34/08/344383408.db2.gz LVJANOQWKVOKCY-DKYNEUFISA-N 1 2 228.342 0.848 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccns1 ZINC000600859777 344383410 /nfs/dbraw/zinc/38/34/10/344383410.db2.gz LVJANOQWKVOKCY-DKYNEUFISA-N 1 2 228.342 0.848 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=COCCO1 ZINC000042512193 344442202 /nfs/dbraw/zinc/44/22/02/344442202.db2.gz VEYBDKPLPYEQJP-VIFPVBQESA-N 1 2 237.259 0.276 20 0 BCADLO CSCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379388 347053420 /nfs/dbraw/zinc/05/34/20/347053420.db2.gz RLVMVFLOFXWWJK-UHFFFAOYSA-N 1 2 211.290 0.657 20 0 BCADLO CSCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379388 347053422 /nfs/dbraw/zinc/05/34/22/347053422.db2.gz RLVMVFLOFXWWJK-UHFFFAOYSA-N 1 2 211.290 0.657 20 0 BCADLO CC(C)N1CC[C@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000641397491 362392351 /nfs/dbraw/zinc/39/23/51/362392351.db2.gz MRVBFFZMXKRHMQ-NSHDSACASA-N 1 2 249.314 0.995 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2[nH+]ccn2C)CO1 ZINC000408298803 344470580 /nfs/dbraw/zinc/47/05/80/344470580.db2.gz QVLWHQNPRRGXKO-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000584310622 344477652 /nfs/dbraw/zinc/47/76/52/344477652.db2.gz JAHVTUKSNVJOKL-VIFPVBQESA-N 1 2 223.276 0.210 20 0 BCADLO NC(=O)C[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641410599 362401496 /nfs/dbraw/zinc/40/14/96/362401496.db2.gz AOUGBKYBUVIQHI-JTQLQIEISA-N 1 2 249.314 0.666 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000043627707 344528878 /nfs/dbraw/zinc/52/88/78/344528878.db2.gz RVLNHOTYUMASBS-RKDXNWHRSA-N 1 2 211.265 0.423 20 0 BCADLO C[C@@H](O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000044180011 344536448 /nfs/dbraw/zinc/53/64/48/344536448.db2.gz PURYCGRBDZBJCA-LLVKDONJSA-N 1 2 212.337 0.785 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cncnc1 ZINC000577549436 344540094 /nfs/dbraw/zinc/54/00/94/344540094.db2.gz KBNIDASQTLDAHG-VIFPVBQESA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cncnc1 ZINC000577549436 344540096 /nfs/dbraw/zinc/54/00/96/344540096.db2.gz KBNIDASQTLDAHG-VIFPVBQESA-N 1 2 243.270 0.487 20 0 BCADLO NC(=O)C1([NH2+]Cc2nc(-c3ccco3)no2)CC1 ZINC000152419794 344554436 /nfs/dbraw/zinc/55/44/36/344554436.db2.gz LGLRNGSLPIGMMV-UHFFFAOYSA-N 1 2 248.242 0.437 20 0 BCADLO CCCCN(CC(N)=O)c1cc(CO)cc[nH+]1 ZINC000641448383 362424679 /nfs/dbraw/zinc/42/46/79/362424679.db2.gz HCWMCTZQPWAYCJ-UHFFFAOYSA-N 1 2 237.303 0.666 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641471382 362440132 /nfs/dbraw/zinc/44/01/32/362440132.db2.gz XQZUTZRZMRCSHT-SCZZXKLOSA-N 1 2 237.278 0.969 20 0 BCADLO Cn1cnc(CNc2cc(CO)cc[nH+]2)n1 ZINC000641472183 362441192 /nfs/dbraw/zinc/44/11/92/362441192.db2.gz CAWSZBDADADMCQ-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO C[C@](O)(CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000309783262 259377508 /nfs/dbraw/zinc/37/75/08/259377508.db2.gz RTFYVMMHOQVCHW-NSHDSACASA-N 1 2 223.276 0.160 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(C2CC2)nn1 ZINC000625966506 344614445 /nfs/dbraw/zinc/61/44/45/344614445.db2.gz GVTLSEGUQYLBKQ-UHFFFAOYSA-N 1 2 246.274 0.575 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1cc(CO)cc[nH+]1 ZINC000641504950 362467638 /nfs/dbraw/zinc/46/76/38/362467638.db2.gz UXTPGVYTEVQEBW-VIFPVBQESA-N 1 2 235.287 0.241 20 0 BCADLO COC(=O)[C@H](C)NCc1c[nH+]c2ccccn12 ZINC000619430869 344654309 /nfs/dbraw/zinc/65/43/09/344654309.db2.gz CMMCJTWKQOWFQD-VIFPVBQESA-N 1 2 233.271 0.985 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000173 344661617 /nfs/dbraw/zinc/66/16/17/344661617.db2.gz KPJNDSMBTJDXJY-MWLCHTKSSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000173 344661619 /nfs/dbraw/zinc/66/16/19/344661619.db2.gz KPJNDSMBTJDXJY-MWLCHTKSSA-N 1 2 244.310 0.714 20 0 BCADLO FCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000626002065 344662349 /nfs/dbraw/zinc/66/23/49/344662349.db2.gz FPVRXEHUFAGJNX-SECBINFHSA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000626002614 344663175 /nfs/dbraw/zinc/66/31/75/344663175.db2.gz QZXBVOAYKADMPI-SNVBAGLBSA-N 1 2 228.271 0.339 20 0 BCADLO FCC[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000626002614 344663178 /nfs/dbraw/zinc/66/31/78/344663178.db2.gz QZXBVOAYKADMPI-SNVBAGLBSA-N 1 2 228.271 0.339 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@H](CCF)C1 ZINC000626004218 344666395 /nfs/dbraw/zinc/66/63/95/344666395.db2.gz BQFLXZCBDHIXNX-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@H](CCF)C1 ZINC000626004218 344666396 /nfs/dbraw/zinc/66/63/96/344666396.db2.gz BQFLXZCBDHIXNX-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO Cn1nccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626004908 344666833 /nfs/dbraw/zinc/66/68/33/344666833.db2.gz QLGDCGXZLUTDTE-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO Cn1nccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626004908 344666834 /nfs/dbraw/zinc/66/68/34/344666834.db2.gz QLGDCGXZLUTDTE-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025243 344676754 /nfs/dbraw/zinc/67/67/54/344676754.db2.gz OFNQEHKKDIGEHO-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626025243 344676756 /nfs/dbraw/zinc/67/67/56/344676756.db2.gz OFNQEHKKDIGEHO-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000050116881 344643551 /nfs/dbraw/zinc/64/35/51/344643551.db2.gz GPLIWYZZNWWKPB-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000050116881 344643553 /nfs/dbraw/zinc/64/35/53/344643553.db2.gz GPLIWYZZNWWKPB-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626075887 344719990 /nfs/dbraw/zinc/71/99/90/344719990.db2.gz YBRADWSAXFTXQK-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626075887 344719991 /nfs/dbraw/zinc/71/99/91/344719991.db2.gz YBRADWSAXFTXQK-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cn1 ZINC000626076447 344723081 /nfs/dbraw/zinc/72/30/81/344723081.db2.gz MYYDVEMFLZNPMX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cn1 ZINC000626076447 344723083 /nfs/dbraw/zinc/72/30/83/344723083.db2.gz MYYDVEMFLZNPMX-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000626076501 344723244 /nfs/dbraw/zinc/72/32/44/344723244.db2.gz ODGWZPIXSPUUFQ-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000626076501 344723246 /nfs/dbraw/zinc/72/32/46/344723246.db2.gz ODGWZPIXSPUUFQ-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000626076817 344723598 /nfs/dbraw/zinc/72/35/98/344723598.db2.gz WWWATMJLBWADEW-JTQLQIEISA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000626076817 344723600 /nfs/dbraw/zinc/72/36/00/344723600.db2.gz WWWATMJLBWADEW-JTQLQIEISA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000626080371 344726563 /nfs/dbraw/zinc/72/65/63/344726563.db2.gz FYFCXHHIBBJTAE-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000626080371 344726566 /nfs/dbraw/zinc/72/65/66/344726566.db2.gz FYFCXHHIBBJTAE-LLVKDONJSA-N 1 2 235.287 0.158 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114123590 344683816 /nfs/dbraw/zinc/68/38/16/344683816.db2.gz QTIMUSSVHRTEML-QMMMGPOBSA-N 1 2 223.276 0.841 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000259810165 344692181 /nfs/dbraw/zinc/69/21/81/344692181.db2.gz WADZRKWIFISBTL-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000259810165 344692182 /nfs/dbraw/zinc/69/21/82/344692182.db2.gz WADZRKWIFISBTL-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348370055 534964959 /nfs/dbraw/zinc/96/49/59/534964959.db2.gz LYPXTUQCDYBBMN-UHFFFAOYSA-N 1 2 238.335 0.719 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348370055 534964963 /nfs/dbraw/zinc/96/49/63/534964963.db2.gz LYPXTUQCDYBBMN-UHFFFAOYSA-N 1 2 238.335 0.719 20 0 BCADLO CCOC(=O)CN(CC)Cc1[nH+]ccn1C ZINC000050051618 344717602 /nfs/dbraw/zinc/71/76/02/344717602.db2.gz DREHDFTUMWGDRP-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCOC(=O)C[N@H+](CCCO)C1CC1 ZINC000050063963 344717705 /nfs/dbraw/zinc/71/77/05/344717705.db2.gz HFYRAJDSQDCYER-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO CCOC(=O)C[N@@H+](CCCO)C1CC1 ZINC000050063963 344717706 /nfs/dbraw/zinc/71/77/06/344717706.db2.gz HFYRAJDSQDCYER-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)OCC ZINC000050066500 344718571 /nfs/dbraw/zinc/71/85/71/344718571.db2.gz RBDHZTNIIJQRHF-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)OCC ZINC000050066500 344718572 /nfs/dbraw/zinc/71/85/72/344718572.db2.gz RBDHZTNIIJQRHF-SECBINFHSA-N 1 2 231.292 0.823 20 0 BCADLO COCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408398985 344758134 /nfs/dbraw/zinc/75/81/34/344758134.db2.gz DSGPKWYGCPTNDY-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO COCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408398985 344758137 /nfs/dbraw/zinc/75/81/37/344758137.db2.gz DSGPKWYGCPTNDY-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000387768492 347072669 /nfs/dbraw/zinc/07/26/69/347072669.db2.gz FIFYBNWEQDIJBB-MRVPVSSYSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000387768492 347072671 /nfs/dbraw/zinc/07/26/71/347072671.db2.gz FIFYBNWEQDIJBB-MRVPVSSYSA-N 1 2 210.281 0.316 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)CO ZINC000673018065 488271661 /nfs/dbraw/zinc/27/16/61/488271661.db2.gz QCGSFSUUZPOHBK-UHFFFAOYSA-N 1 2 225.292 0.097 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ocnc2C)CC1 ZINC000074686202 344753472 /nfs/dbraw/zinc/75/34/72/344753472.db2.gz KUPUSKKYPHSFDH-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)OCC2CC2)C1 ZINC000496006206 530070797 /nfs/dbraw/zinc/07/07/97/530070797.db2.gz SPQSGJCAOKKDPE-LLVKDONJSA-N 1 2 241.335 0.368 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)OCC2CC2)C1 ZINC000496006206 530070798 /nfs/dbraw/zinc/07/07/98/530070798.db2.gz SPQSGJCAOKKDPE-LLVKDONJSA-N 1 2 241.335 0.368 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC(F)(F)C1 ZINC000673059022 488272640 /nfs/dbraw/zinc/27/26/40/488272640.db2.gz HBSBXFBJPOOILD-UHFFFAOYSA-N 1 2 215.203 0.820 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334366359 534969135 /nfs/dbraw/zinc/96/91/35/534969135.db2.gz POANIJFJUOCFPP-TXEJJXNPSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334366359 534969142 /nfs/dbraw/zinc/96/91/42/534969142.db2.gz POANIJFJUOCFPP-TXEJJXNPSA-N 1 2 241.379 0.878 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CCn2cncn2)n1 ZINC000560538771 344816914 /nfs/dbraw/zinc/81/69/14/344816914.db2.gz PKPUJOMHDZQTMZ-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC000560538771 344816915 /nfs/dbraw/zinc/81/69/15/344816915.db2.gz PKPUJOMHDZQTMZ-SNVBAGLBSA-N 1 2 248.290 0.807 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(F)(F)C1 ZINC000673059117 488272906 /nfs/dbraw/zinc/27/29/06/488272906.db2.gz YTSGONMSSUSWPJ-UHFFFAOYSA-N 1 2 215.203 0.440 20 0 BCADLO C1CC[N@@H+]2C[C@H](c3nn[nH]n3)OC[C@H]2C1 ZINC000408494425 344840607 /nfs/dbraw/zinc/84/06/07/344840607.db2.gz MVTWCSIXFYNVMB-HTQZYQBOSA-N 1 2 209.253 0.126 20 0 BCADLO C1CC[N@H+]2C[C@H](c3nn[nH]n3)OC[C@H]2C1 ZINC000408494425 344840608 /nfs/dbraw/zinc/84/06/08/344840608.db2.gz MVTWCSIXFYNVMB-HTQZYQBOSA-N 1 2 209.253 0.126 20 0 BCADLO CCCN(CC(=O)NC)Cc1[nH]cc(C)[nH+]1 ZINC000628152950 344841711 /nfs/dbraw/zinc/84/17/11/344841711.db2.gz UHXMYJVQVCVCLA-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO Cc1nc(NC[C@@H](O)C2CCOCC2)cc[nH+]1 ZINC000078293662 344842167 /nfs/dbraw/zinc/84/21/67/344842167.db2.gz AAYIHALWITXXSU-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@H](C(=O)OC)C(C)C ZINC000119227753 344842829 /nfs/dbraw/zinc/84/28/29/344842829.db2.gz ZGJGMYQHJPIXAU-NSHDSACASA-N 1 2 244.335 0.642 20 0 BCADLO CC1(F)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000673143702 488277261 /nfs/dbraw/zinc/27/72/61/488277261.db2.gz FUHDZKYCCZUTSF-UHFFFAOYSA-N 1 2 211.240 0.913 20 0 BCADLO Cc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000408240900 344868590 /nfs/dbraw/zinc/86/85/90/344868590.db2.gz QQITUMHCSSNVDM-CYBMUJFWSA-N 1 2 246.314 0.892 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000673081321 488276076 /nfs/dbraw/zinc/27/60/76/488276076.db2.gz KVDOUYXQSVBDOX-RKDXNWHRSA-N 1 2 222.292 0.970 20 0 BCADLO Cc1nc(N2CCC[C@@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000078568820 344884357 /nfs/dbraw/zinc/88/43/57/344884357.db2.gz KHSIHWQPAYCMED-CYBMUJFWSA-N 1 2 246.314 0.892 20 0 BCADLO Cc1[nH]c(CN2CCN(C3CC3)C(=O)C2)[nH+]c1C ZINC000628177160 344905750 /nfs/dbraw/zinc/90/57/50/344905750.db2.gz NONPMDAGYGJDIO-UHFFFAOYSA-N 1 2 248.330 0.833 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CCCO1 ZINC000078798889 344907092 /nfs/dbraw/zinc/90/70/92/344907092.db2.gz WMJMEVNVJTZMNA-SNVBAGLBSA-N 1 2 237.303 0.948 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCCN2c1cc[nH+]cc1F ZINC000641551124 362496145 /nfs/dbraw/zinc/49/61/45/362496145.db2.gz DMKBLKDDGWXJQW-LDYMZIIASA-N 1 2 235.262 0.936 20 0 BCADLO Cc1c[nH]c(CN2CCN(C)C(=O)C2(C)C)[nH+]1 ZINC000628183461 344931991 /nfs/dbraw/zinc/93/19/91/344931991.db2.gz BZWQGXOJHMJQRP-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO COCC1(O)CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628178996 344913517 /nfs/dbraw/zinc/91/35/17/344913517.db2.gz KPLAFVWWDCIEQO-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1c[nH]c(CN2CCS(=O)(=O)[C@H](C)C2)[nH+]1 ZINC000628179325 344913941 /nfs/dbraw/zinc/91/39/41/344913941.db2.gz WEMUMJONMXSFMB-SECBINFHSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H]2CCN(C)C2=O)[nH+]1 ZINC000628180872 344918888 /nfs/dbraw/zinc/91/88/88/344918888.db2.gz IAPLODQCLNHPLN-VIFPVBQESA-N 1 2 222.292 0.381 20 0 BCADLO Cc1[nH]c(CN(C)[C@@H]2CCN(C)C2=O)[nH+]c1C ZINC000628181070 344920635 /nfs/dbraw/zinc/92/06/35/344920635.db2.gz PCUKHEXZVZQQNQ-SNVBAGLBSA-N 1 2 236.319 0.689 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ccco1 ZINC000169821560 537876434 /nfs/dbraw/zinc/87/64/34/537876434.db2.gz DMDCKTYOJPUNRX-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000363491182 344961595 /nfs/dbraw/zinc/96/15/95/344961595.db2.gz SURXQHDJMBOVCH-RKDXNWHRSA-N 1 2 211.265 0.977 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000363491182 344961596 /nfs/dbraw/zinc/96/15/96/344961596.db2.gz SURXQHDJMBOVCH-RKDXNWHRSA-N 1 2 211.265 0.977 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000158764242 344965054 /nfs/dbraw/zinc/96/50/54/344965054.db2.gz JDSKRCPXRMLWOP-DCAQKATOSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCCCO1 ZINC000158764242 344965056 /nfs/dbraw/zinc/96/50/56/344965056.db2.gz JDSKRCPXRMLWOP-DCAQKATOSA-N 1 2 243.303 0.164 20 0 BCADLO Cc1nc(N2CCN3C(=O)N=NC3C2)cc[nH+]1 ZINC000408255217 344944930 /nfs/dbraw/zinc/94/49/30/344944930.db2.gz HOXAIINAZAZXHE-UHFFFAOYSA-N 1 2 232.247 0.102 20 0 BCADLO Cc1[nH]c(CN(C)[C@@H]2CCNC2=O)[nH+]c1C ZINC000628191535 344945483 /nfs/dbraw/zinc/94/54/83/344945483.db2.gz NWKLCPRVSQSWOU-SECBINFHSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1[nH]c(CN(C)[C@H]2CCNC2=O)[nH+]c1C ZINC000628191536 344945563 /nfs/dbraw/zinc/94/55/63/344945563.db2.gz NWKLCPRVSQSWOU-VIFPVBQESA-N 1 2 222.292 0.347 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000628191709 344946073 /nfs/dbraw/zinc/94/60/73/344946073.db2.gz TWCZBNXGFBWDKC-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000628191709 344946075 /nfs/dbraw/zinc/94/60/75/344946075.db2.gz TWCZBNXGFBWDKC-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C(=O)NCCF ZINC000641555934 362500667 /nfs/dbraw/zinc/50/06/67/362500667.db2.gz SLSKWXJPSULHJN-MRVPVSSYSA-N 1 2 241.266 0.460 20 0 BCADLO Cc1noc(OCC[N@H+]2CCOC[C@H]2C)n1 ZINC000408277449 345020192 /nfs/dbraw/zinc/02/01/92/345020192.db2.gz AKFXWTMBAZIFLX-MRVPVSSYSA-N 1 2 227.264 0.478 20 0 BCADLO Cc1noc(OCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000408277449 345020196 /nfs/dbraw/zinc/02/01/96/345020196.db2.gz AKFXWTMBAZIFLX-MRVPVSSYSA-N 1 2 227.264 0.478 20 0 BCADLO Cc1noc(OCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000408278497 345023895 /nfs/dbraw/zinc/02/38/95/345023895.db2.gz FJPBMPFLPQTEGP-MRVPVSSYSA-N 1 2 227.264 0.478 20 0 BCADLO Cc1noc(OCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000408278497 345023896 /nfs/dbraw/zinc/02/38/96/345023896.db2.gz FJPBMPFLPQTEGP-MRVPVSSYSA-N 1 2 227.264 0.478 20 0 BCADLO CO[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641621124 362552897 /nfs/dbraw/zinc/55/28/97/362552897.db2.gz COOAMOYSJZGGPP-NXEZZACHSA-N 1 2 212.224 0.417 20 0 BCADLO CCc1nnc(CNc2cc[nH+]cc2F)[nH]1 ZINC000641613715 362545311 /nfs/dbraw/zinc/54/53/11/362545311.db2.gz WVXCYWQQDYIORP-UHFFFAOYSA-N 1 2 221.239 0.935 20 0 BCADLO O=C(Nc1nncs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155954218 345116069 /nfs/dbraw/zinc/11/60/69/345116069.db2.gz GSHXSOROLVRKIB-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000155984229 345117341 /nfs/dbraw/zinc/11/73/41/345117341.db2.gz DZKARRCELOWWFR-BYDTYLDUSA-N 1 2 238.740 0.362 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000155984229 345117343 /nfs/dbraw/zinc/11/73/43/345117343.db2.gz DZKARRCELOWWFR-BYDTYLDUSA-N 1 2 238.740 0.362 20 0 BCADLO CCN1C[C@@H](CNc2cc[nH+]cc2F)CC1=O ZINC000641649300 362576220 /nfs/dbraw/zinc/57/62/20/362576220.db2.gz CWPYOMXLEONJOG-SECBINFHSA-N 1 2 237.278 0.923 20 0 BCADLO C[C@@H](CCO)N(C)c1cc(CO)cc[nH+]1 ZINC000641652427 362578616 /nfs/dbraw/zinc/57/86/16/362578616.db2.gz KOXFBKJUEUKQDW-VIFPVBQESA-N 1 2 210.277 0.781 20 0 BCADLO CC[C@H](Nc1cc(CO)cc[nH+]1)C(=O)NC ZINC000641625995 362555479 /nfs/dbraw/zinc/55/54/79/362555479.db2.gz ZAUGOMLYEJTHCL-VIFPVBQESA-N 1 2 223.276 0.510 20 0 BCADLO OC[C@@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641626672 362556398 /nfs/dbraw/zinc/55/63/98/362556398.db2.gz DGYZDVSEKAHBEF-LLVKDONJSA-N 1 2 226.251 0.544 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000175021973 534987477 /nfs/dbraw/zinc/98/74/77/534987477.db2.gz BHUAFDAXYZVRMH-QWRGUYRKSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000175021973 534987481 /nfs/dbraw/zinc/98/74/81/534987481.db2.gz BHUAFDAXYZVRMH-QWRGUYRKSA-N 1 2 228.336 0.962 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641628913 362559601 /nfs/dbraw/zinc/55/96/01/362559601.db2.gz VHJGIXRVFIBPLK-XVKPBYJWSA-N 1 2 212.224 0.010 20 0 BCADLO O=C1CC[C@@H](Nc2cc[nH+]cc2F)CCN1 ZINC000641633523 362561433 /nfs/dbraw/zinc/56/14/33/362561433.db2.gz DOCJXFVEZDSMGC-MRVPVSSYSA-N 1 2 223.251 0.723 20 0 BCADLO CN(C)C(=O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641633306 362562078 /nfs/dbraw/zinc/56/20/78/362562078.db2.gz WBZMMQMQWYYZEP-NSHDSACASA-N 1 2 249.314 0.488 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641639557 362567134 /nfs/dbraw/zinc/56/71/34/362567134.db2.gz IYBFMMLZCCXUSM-SECBINFHSA-N 1 2 223.251 0.936 20 0 BCADLO C[C@H](Oc1ccccn1)C(=O)N1CC[NH+](C)CC1 ZINC000449041661 201795244 /nfs/dbraw/zinc/79/52/44/201795244.db2.gz OBDQOZGZBKCOMA-NSHDSACASA-N 1 2 249.314 0.623 20 0 BCADLO CN(C)C(=O)C1([NH2+]Cc2ccon2)CC1 ZINC000634984615 345168349 /nfs/dbraw/zinc/16/83/49/345168349.db2.gz WWJHYJDYKLRXFP-UHFFFAOYSA-N 1 2 209.249 0.385 20 0 BCADLO Cc1nc(N2CCOC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408327187 345170101 /nfs/dbraw/zinc/17/01/01/345170101.db2.gz BOWMNKWKLBTLSH-QMMMGPOBSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCOC[C@@H]2C)[nH+]1 ZINC000408327187 345170104 /nfs/dbraw/zinc/17/01/04/345170104.db2.gz BOWMNKWKLBTLSH-QMMMGPOBSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N2CCC[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000408327434 345171958 /nfs/dbraw/zinc/17/19/58/345171958.db2.gz DCBMBSYHNRLBCY-SECBINFHSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](O)C2)[nH+]1 ZINC000408327434 345171959 /nfs/dbraw/zinc/17/19/59/345171959.db2.gz DCBMBSYHNRLBCY-SECBINFHSA-N 1 2 237.307 0.207 20 0 BCADLO CCS(=O)(=O)C1(C[NH2+]Cc2ccon2)CC1 ZINC000634987047 345172541 /nfs/dbraw/zinc/17/25/41/345172541.db2.gz KVHKMSXBOYDGQS-UHFFFAOYSA-N 1 2 244.316 0.732 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156110008 345125884 /nfs/dbraw/zinc/12/58/84/345125884.db2.gz YDAWYCWAJGBHTO-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156110008 345125885 /nfs/dbraw/zinc/12/58/85/345125885.db2.gz YDAWYCWAJGBHTO-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO O=C(C[NH2+]Cc1ccon1)NCc1ccco1 ZINC000634951609 345128068 /nfs/dbraw/zinc/12/80/68/345128068.db2.gz AXIOSNYEKABJHV-UHFFFAOYSA-N 1 2 235.243 0.674 20 0 BCADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccon2)CC1=O ZINC000634965404 345141514 /nfs/dbraw/zinc/14/15/14/345141514.db2.gz JQJVWCRIDBMQBW-MIMYLULJSA-N 1 2 235.287 0.774 20 0 BCADLO C[C@H](C[S@@](C)=O)Nc1cc[nH+]cc1F ZINC000603332654 349925623 /nfs/dbraw/zinc/92/56/23/349925623.db2.gz BQUKJRALFFWXIP-NXSYQRQQSA-N 1 2 216.281 0.822 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCCF)CC1 ZINC000402603816 345252998 /nfs/dbraw/zinc/25/29/98/345252998.db2.gz QNAAMUJPKOPXPD-JTQLQIEISA-N 1 2 231.315 0.228 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCO[C@@H](C)C2)[nH+]1 ZINC000635163609 345261830 /nfs/dbraw/zinc/26/18/30/345261830.db2.gz HXORIINAVDWFHO-VIFPVBQESA-N 1 2 237.303 0.762 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635224345 345277657 /nfs/dbraw/zinc/27/76/57/345277657.db2.gz OOUFTAPGTMELCJ-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)CO)[nH+]1 ZINC000635248756 345285534 /nfs/dbraw/zinc/28/55/34/345285534.db2.gz NLDJMKPSLYDYCC-VIFPVBQESA-N 1 2 225.292 0.402 20 0 BCADLO CC(C)C[C@@H](C(=O)NC[C@H](C)O)n1cc[nH+]c1 ZINC000635248917 345285888 /nfs/dbraw/zinc/28/58/88/345285888.db2.gz OVPMTCYDAVFORJ-QWRGUYRKSA-N 1 2 239.319 0.967 20 0 BCADLO CC(C)C[C@@H](C(=O)N[C@H](C)CO)n1cc[nH+]c1 ZINC000635250060 345287370 /nfs/dbraw/zinc/28/73/70/345287370.db2.gz KTROAOXKMGQERG-MNOVXSKESA-N 1 2 239.319 0.967 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000635262716 345290778 /nfs/dbraw/zinc/29/07/78/345290778.db2.gz ZSUUCLPPKMPUKS-RKDXNWHRSA-N 1 2 231.259 0.885 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000635262716 345290779 /nfs/dbraw/zinc/29/07/79/345290779.db2.gz ZSUUCLPPKMPUKS-RKDXNWHRSA-N 1 2 231.259 0.885 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1COCC1(C)C ZINC000622580075 345291081 /nfs/dbraw/zinc/29/10/81/345291081.db2.gz DZHFBLCOWCINLQ-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1COCC1(C)C ZINC000622580075 345291084 /nfs/dbraw/zinc/29/10/84/345291084.db2.gz DZHFBLCOWCINLQ-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO COCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635393835 345340801 /nfs/dbraw/zinc/34/08/01/345340801.db2.gz CUOXDUZGHKKASD-RKDXNWHRSA-N 1 2 223.276 0.618 20 0 BCADLO COCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635393835 345340804 /nfs/dbraw/zinc/34/08/04/345340804.db2.gz CUOXDUZGHKKASD-RKDXNWHRSA-N 1 2 223.276 0.618 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)COC(C)(C)C)C1 ZINC000158566350 345349972 /nfs/dbraw/zinc/34/99/72/345349972.db2.gz MQPBAOUBZVUTKE-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)COC(C)(C)C)C1 ZINC000158566350 345349975 /nfs/dbraw/zinc/34/99/75/345349975.db2.gz MQPBAOUBZVUTKE-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC[N@H+](CCOC)CC(=O)OC ZINC000132986758 345355117 /nfs/dbraw/zinc/35/51/17/345355117.db2.gz VVXVQTGGSHRIMO-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOCC[N@@H+](CCOC)CC(=O)OC ZINC000132986758 345355120 /nfs/dbraw/zinc/35/51/20/345355120.db2.gz VVXVQTGGSHRIMO-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2c[nH]ccc2=O)[nH+]1 ZINC000635481226 345390350 /nfs/dbraw/zinc/39/03/50/345390350.db2.gz RCTDNXPYWOUXDR-UHFFFAOYSA-N 1 2 246.270 0.842 20 0 BCADLO Cc1n[nH]c(NC(=O)C2(C[NH+](C)C)CC2)n1 ZINC000635507484 345406229 /nfs/dbraw/zinc/40/62/29/345406229.db2.gz AQFPHTXAVLNISV-UHFFFAOYSA-N 1 2 223.280 0.393 20 0 BCADLO C[C@H](C(N)=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080866415 345452462 /nfs/dbraw/zinc/45/24/62/345452462.db2.gz AHBDOQSYEFCLRV-LLVKDONJSA-N 1 2 248.330 0.073 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000080866415 345452464 /nfs/dbraw/zinc/45/24/64/345452464.db2.gz AHBDOQSYEFCLRV-LLVKDONJSA-N 1 2 248.330 0.073 20 0 BCADLO CC(C)(C)NC(=O)CC[NH2+]Cc1csnn1 ZINC000159264702 345420673 /nfs/dbraw/zinc/42/06/73/345420673.db2.gz OACAUMWLIVOBCH-UHFFFAOYSA-N 1 2 242.348 0.933 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2C(N)=O)[nH+]1 ZINC000080944887 345453831 /nfs/dbraw/zinc/45/38/31/345453831.db2.gz DKTCIOYCIUFSDZ-SECBINFHSA-N 1 2 245.286 0.720 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H](C)C(N)=O)[nH+]1 ZINC000080945614 345454236 /nfs/dbraw/zinc/45/42/36/345454236.db2.gz XIZUXADGDSXAPW-RXMQYKEDSA-N 1 2 219.248 0.552 20 0 BCADLO COc1ccc[nH+]c1NC1COCCOC1 ZINC000390335799 345398482 /nfs/dbraw/zinc/39/84/82/345398482.db2.gz LSCMOMUXASMRPT-UHFFFAOYSA-N 1 2 224.260 0.918 20 0 BCADLO COCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000082276413 345500813 /nfs/dbraw/zinc/50/08/13/345500813.db2.gz DQGINFXZTCLUDI-SNVBAGLBSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@@H](Nc1nccnc1C(N)=O)c1[nH+]ccn1C ZINC000641664738 362589471 /nfs/dbraw/zinc/58/94/71/362589471.db2.gz LPLFUHZCSXGHRQ-SSDOTTSWSA-N 1 2 246.274 0.482 20 0 BCADLO CC(C)[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081292462 345469018 /nfs/dbraw/zinc/46/90/18/345469018.db2.gz JSPOXLAARWTILT-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081292462 345469021 /nfs/dbraw/zinc/46/90/21/345469021.db2.gz JSPOXLAARWTILT-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000635535360 345487959 /nfs/dbraw/zinc/48/79/59/345487959.db2.gz MRSWTVVGCFWNQV-CYBMUJFWSA-N 1 2 247.298 0.619 20 0 BCADLO CNC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000084715421 345520278 /nfs/dbraw/zinc/52/02/78/345520278.db2.gz NTENBRBOLAHLDB-UHFFFAOYSA-N 1 2 241.335 0.370 20 0 BCADLO CC[C@](C)(OC)C(=O)N1CC[NH+](C)CC1 ZINC000170229306 345535851 /nfs/dbraw/zinc/53/58/51/345535851.db2.gz YWDZYPUWDZFDPE-NSHDSACASA-N 1 2 214.309 0.576 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000068951133 349931766 /nfs/dbraw/zinc/93/17/66/349931766.db2.gz YWOBLZFXCGXWEW-ZJUUUORDSA-N 1 2 233.308 0.171 20 0 BCADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000043304627 349932361 /nfs/dbraw/zinc/93/23/61/349932361.db2.gz SMEJWGQPNNKFGT-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000091552525 345597154 /nfs/dbraw/zinc/59/71/54/345597154.db2.gz QGZSQUMQDWINIY-IUCAKERBSA-N 1 2 222.292 0.863 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000091552525 345597156 /nfs/dbraw/zinc/59/71/56/345597156.db2.gz QGZSQUMQDWINIY-IUCAKERBSA-N 1 2 222.292 0.863 20 0 BCADLO CSCC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091593108 345600269 /nfs/dbraw/zinc/60/02/69/345600269.db2.gz NRUPSQQGBCKGFE-UHFFFAOYSA-N 1 2 202.283 0.305 20 0 BCADLO CSCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091593108 345600271 /nfs/dbraw/zinc/60/02/71/345600271.db2.gz NRUPSQQGBCKGFE-UHFFFAOYSA-N 1 2 202.283 0.305 20 0 BCADLO C[C@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000091589281 345600370 /nfs/dbraw/zinc/60/03/70/345600370.db2.gz LWIZGFQYGXXZQM-IUCAKERBSA-N 1 2 239.323 0.013 20 0 BCADLO C[C@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000091589281 345600371 /nfs/dbraw/zinc/60/03/71/345600371.db2.gz LWIZGFQYGXXZQM-IUCAKERBSA-N 1 2 239.323 0.013 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092198957 345606665 /nfs/dbraw/zinc/60/66/65/345606665.db2.gz DNZOBYIAHYYULL-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)N1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000092217410 345608311 /nfs/dbraw/zinc/60/83/11/345608311.db2.gz KNKMWRGIIVTVNQ-UHFFFAOYSA-N 1 2 238.291 0.602 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CCNC2=O)cc[nH+]1 ZINC000635550346 345617012 /nfs/dbraw/zinc/61/70/12/345617012.db2.gz BXQFDHOMPMWBPH-LBPRGKRZSA-N 1 2 233.271 0.277 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)no1 ZINC000626138050 345629481 /nfs/dbraw/zinc/62/94/81/345629481.db2.gz HKBTUOXGUQZLQA-YGOYTEALSA-N 1 2 237.303 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)no1 ZINC000626138050 345629482 /nfs/dbraw/zinc/62/94/82/345629482.db2.gz HKBTUOXGUQZLQA-YGOYTEALSA-N 1 2 237.303 0.977 20 0 BCADLO COCc1cc(C[NH2+]CC(=O)NC(C)C)no1 ZINC000641703145 362612456 /nfs/dbraw/zinc/61/24/56/362612456.db2.gz HGKYAJXLEGLTAV-UHFFFAOYSA-N 1 2 241.291 0.435 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOCC12CCCC2 ZINC000093840519 345665397 /nfs/dbraw/zinc/66/53/97/345665397.db2.gz ZKIVQZWBQNCGJV-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cn1nncc1C[N@H+]1CCOCC12CCCC2 ZINC000093840519 345665399 /nfs/dbraw/zinc/66/53/99/345665399.db2.gz ZKIVQZWBQNCGJV-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193687166 192089414 /nfs/dbraw/zinc/08/94/14/192089414.db2.gz OXRNLDLJWMUYPY-XVKPBYJWSA-N 1 2 222.292 0.332 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641677052 362598861 /nfs/dbraw/zinc/59/88/61/362598861.db2.gz BVPCZTXJGMPTRJ-KYZUINATSA-N 1 2 221.260 0.250 20 0 BCADLO CN(C)C(=O)[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641677744 362599558 /nfs/dbraw/zinc/59/95/58/362599558.db2.gz LFQOYQNYVSJDHP-NSHDSACASA-N 1 2 249.314 0.631 20 0 BCADLO NC(=O)C[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641679006 362601105 /nfs/dbraw/zinc/60/11/05/362601105.db2.gz ADIBCBJBMSGIJW-QMMMGPOBSA-N 1 2 239.250 0.301 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H](O)C2)no1 ZINC000093332861 345652871 /nfs/dbraw/zinc/65/28/71/345652871.db2.gz WMFSZVZKZAODTK-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)no1 ZINC000093332861 345652872 /nfs/dbraw/zinc/65/28/72/345652872.db2.gz WMFSZVZKZAODTK-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000093344977 345655775 /nfs/dbraw/zinc/65/57/75/345655775.db2.gz MJOBXVZYUSZRLE-IUCAKERBSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nccc(N)n2)C[C@@H]1O ZINC000093344977 345655776 /nfs/dbraw/zinc/65/57/76/345655776.db2.gz MJOBXVZYUSZRLE-IUCAKERBSA-N 1 2 222.292 0.262 20 0 BCADLO CCOCCn1cc[nH+]c1CN1CCOCC1 ZINC000641726814 362646571 /nfs/dbraw/zinc/64/65/71/362646571.db2.gz SUFVHDBUYPKFQE-UHFFFAOYSA-N 1 2 239.319 0.752 20 0 BCADLO CNc1nc(N[C@@H](C)COC)[nH+]c2ccccc21 ZINC000641719710 362635541 /nfs/dbraw/zinc/63/55/41/362635541.db2.gz VLRZAXXBJDTWRG-VIFPVBQESA-N 1 2 246.314 0.962 20 0 BCADLO C[C@H](O)CCn1cc[nH+]c1CN1CCOCC1 ZINC000641724861 362640087 /nfs/dbraw/zinc/64/00/87/362640087.db2.gz IXDVPJUSKOMMCG-NSHDSACASA-N 1 2 239.319 0.486 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2cc(C)n[nH]2)[nH+]1 ZINC000635563513 345776407 /nfs/dbraw/zinc/77/64/07/345776407.db2.gz QOSANUXNDRIOKM-UHFFFAOYSA-N 1 2 247.302 0.863 20 0 BCADLO CN(C)c1ncc(C[NH+]2CCN(C)CC2)s1 ZINC000141789449 345851412 /nfs/dbraw/zinc/85/14/12/345851412.db2.gz IBUAAAUGBVEFLH-UHFFFAOYSA-N 1 2 240.376 0.957 20 0 BCADLO Nc1[nH+]cnc(NCC2(CO)CC2)c1Cl ZINC000236390484 537914128 /nfs/dbraw/zinc/91/41/28/537914128.db2.gz GMURFBZRKLARQZ-UHFFFAOYSA-N 1 2 228.683 0.897 20 0 BCADLO Nc1nc[nH+]c(NCC2(CO)CC2)c1Cl ZINC000236390484 537914136 /nfs/dbraw/zinc/91/41/36/537914136.db2.gz GMURFBZRKLARQZ-UHFFFAOYSA-N 1 2 228.683 0.897 20 0 BCADLO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nn2)n1 ZINC000389837720 537916436 /nfs/dbraw/zinc/91/64/36/537916436.db2.gz RCUWNRCYRBMEPI-UHFFFAOYSA-N 1 2 233.275 0.514 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H](O)C1 ZINC000635581349 345878888 /nfs/dbraw/zinc/87/88/88/345878888.db2.gz ULTZELXPHDSCOP-PHIMTYICSA-N 1 2 249.314 0.771 20 0 BCADLO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)Cn1cc[nH+]c1 ZINC000635592048 345884839 /nfs/dbraw/zinc/88/48/39/345884839.db2.gz IVENBTDRTGXNHR-MXWKQRLJSA-N 1 2 237.303 0.406 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620875043 345901037 /nfs/dbraw/zinc/90/10/37/345901037.db2.gz VVYXXBFQJPKPMV-FXPVBKGRSA-N 1 2 235.287 0.085 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000143667922 345909273 /nfs/dbraw/zinc/90/92/73/345909273.db2.gz PKQDKXPQRKCGBU-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000143667922 345909275 /nfs/dbraw/zinc/90/92/75/345909275.db2.gz PKQDKXPQRKCGBU-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000146360574 345966996 /nfs/dbraw/zinc/96/69/96/345966996.db2.gz GJCNKFVAQQHNIB-UHFFFAOYSA-N 1 2 215.256 0.959 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710124 346002071 /nfs/dbraw/zinc/00/20/71/346002071.db2.gz SXMHAPFPNQNAQS-BZNPZCIMSA-N 1 2 221.260 0.153 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710124 346002074 /nfs/dbraw/zinc/00/20/74/346002074.db2.gz SXMHAPFPNQNAQS-BZNPZCIMSA-N 1 2 221.260 0.153 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635754082 346050270 /nfs/dbraw/zinc/05/02/70/346050270.db2.gz QZBIVEKJYVSNJG-IWSPIJDZSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635754082 346050272 /nfs/dbraw/zinc/05/02/72/346050272.db2.gz QZBIVEKJYVSNJG-IWSPIJDZSA-N 1 2 237.303 0.789 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)CC1CC1 ZINC000635717230 346027737 /nfs/dbraw/zinc/02/77/37/346027737.db2.gz LKIQECDDGFCFMA-GHMZBOCLSA-N 1 2 249.314 0.744 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)CC1CC1 ZINC000635717230 346027739 /nfs/dbraw/zinc/02/77/39/346027739.db2.gz LKIQECDDGFCFMA-GHMZBOCLSA-N 1 2 249.314 0.744 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635726184 346036966 /nfs/dbraw/zinc/03/69/66/346036966.db2.gz QUXLZKRAXLGNMZ-FXBDTBDDSA-N 1 2 235.287 0.997 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635726184 346036967 /nfs/dbraw/zinc/03/69/67/346036967.db2.gz QUXLZKRAXLGNMZ-FXBDTBDDSA-N 1 2 235.287 0.997 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCOC2)[nH+]1 ZINC000635728014 346039365 /nfs/dbraw/zinc/03/93/65/346039365.db2.gz OZPNUMIQJSOMIZ-SECBINFHSA-N 1 2 223.276 0.420 20 0 BCADLO CC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635740111 346040612 /nfs/dbraw/zinc/04/06/12/346040612.db2.gz OTNWILOLIZIUBI-KBVBSXBZSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635740111 346040621 /nfs/dbraw/zinc/04/06/21/346040621.db2.gz OTNWILOLIZIUBI-KBVBSXBZSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635730529 346042169 /nfs/dbraw/zinc/04/21/69/346042169.db2.gz LHYVMGLOWCBDQF-IWSPIJDZSA-N 1 2 223.276 0.352 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635730529 346042171 /nfs/dbraw/zinc/04/21/71/346042171.db2.gz LHYVMGLOWCBDQF-IWSPIJDZSA-N 1 2 223.276 0.352 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635752290 346048956 /nfs/dbraw/zinc/04/89/56/346048956.db2.gz JOIZLFWZLIONRP-RKDXNWHRSA-N 1 2 235.287 0.761 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635752290 346048958 /nfs/dbraw/zinc/04/89/58/346048958.db2.gz JOIZLFWZLIONRP-RKDXNWHRSA-N 1 2 235.287 0.761 20 0 BCADLO CN(CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635799467 346067004 /nfs/dbraw/zinc/06/70/04/346067004.db2.gz ZIBJNLQEXKROEN-NXEZZACHSA-N 1 2 249.314 0.887 20 0 BCADLO CN(CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635799467 346067007 /nfs/dbraw/zinc/06/70/07/346067007.db2.gz ZIBJNLQEXKROEN-NXEZZACHSA-N 1 2 249.314 0.887 20 0 BCADLO O=C(NCC(F)(F)CO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635807241 346072822 /nfs/dbraw/zinc/07/28/22/346072822.db2.gz QYGJBTNCBZSOLF-RNFRBKRXSA-N 1 2 245.229 0.257 20 0 BCADLO O=C(NCC(F)(F)CO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635807241 346072828 /nfs/dbraw/zinc/07/28/28/346072828.db2.gz QYGJBTNCBZSOLF-RNFRBKRXSA-N 1 2 245.229 0.257 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cnns1 ZINC000635829434 346085632 /nfs/dbraw/zinc/08/56/32/346085632.db2.gz OIQLQPXDYGRQTG-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cnns1 ZINC000635829434 346085634 /nfs/dbraw/zinc/08/56/34/346085634.db2.gz OIQLQPXDYGRQTG-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC(=O)[C@@H](C)C2)[nH+]1 ZINC000635832885 346086028 /nfs/dbraw/zinc/08/60/28/346086028.db2.gz YMAFAQFXKUGSDL-VIFPVBQESA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1=O ZINC000635832822 346086163 /nfs/dbraw/zinc/08/61/63/346086163.db2.gz XUECGGDNDGOTMH-IVZWLZJFSA-N 1 2 247.298 0.951 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1=O ZINC000635832822 346086164 /nfs/dbraw/zinc/08/61/64/346086164.db2.gz XUECGGDNDGOTMH-IVZWLZJFSA-N 1 2 247.298 0.951 20 0 BCADLO CC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635859392 346087194 /nfs/dbraw/zinc/08/71/94/346087194.db2.gz RFNAGKQFGYEIFC-RKDXNWHRSA-N 1 2 205.261 0.992 20 0 BCADLO CC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635859392 346087196 /nfs/dbraw/zinc/08/71/96/346087196.db2.gz RFNAGKQFGYEIFC-RKDXNWHRSA-N 1 2 205.261 0.992 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CF)[nH+]1 ZINC000635932474 346112992 /nfs/dbraw/zinc/11/29/92/346112992.db2.gz AQMSGMXSBTUQOU-ZETCQYMHSA-N 1 2 213.256 0.989 20 0 BCADLO C[C@@H](NC(=O)c1coc(CO)c1)c1[nH]cc[nH+]1 ZINC000635952019 346121874 /nfs/dbraw/zinc/12/18/74/346121874.db2.gz LAIMLHMQGIZIOJ-SSDOTTSWSA-N 1 2 235.243 0.986 20 0 BCADLO CCOC1CN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000635971423 346128174 /nfs/dbraw/zinc/12/81/74/346128174.db2.gz WIKLQXQBLGCRPU-UHFFFAOYSA-N 1 2 237.303 0.762 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000635984462 346138162 /nfs/dbraw/zinc/13/81/62/346138162.db2.gz ALUGHLBAXWHIMZ-QMMMGPOBSA-N 1 2 231.259 0.269 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000636000308 346150592 /nfs/dbraw/zinc/15/05/92/346150592.db2.gz SIWFJUZCQVXJTL-PSASIEDQSA-N 1 2 237.303 0.496 20 0 BCADLO Cc1ncc(CN[C@@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000628228953 346177908 /nfs/dbraw/zinc/17/79/08/346177908.db2.gz FOCJWQDQYXYGGB-CABZTGNLSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncc(CN[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000628228953 346177912 /nfs/dbraw/zinc/17/79/12/346177912.db2.gz FOCJWQDQYXYGGB-CABZTGNLSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1[nH]c(CN2CCN(C)C(=O)[C@@H]2C)[nH+]c1C ZINC000628241689 346201153 /nfs/dbraw/zinc/20/11/53/346201153.db2.gz DSABQZXZEOUIRK-JTQLQIEISA-N 1 2 236.319 0.689 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@@H](C)O1 ZINC000628244661 346209325 /nfs/dbraw/zinc/20/93/25/346209325.db2.gz RBLBFLBWUZWVHD-MNOVXSKESA-N 1 2 239.319 0.954 20 0 BCADLO Cc1ccnc([C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC000636038129 346211432 /nfs/dbraw/zinc/21/14/32/346211432.db2.gz OEYDVEPJLSAHFB-SNVBAGLBSA-N 1 2 245.286 0.859 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cocn1 ZINC000673666508 488301739 /nfs/dbraw/zinc/30/17/39/488301739.db2.gz OUKYVXMGWUGNLU-UHFFFAOYSA-N 1 2 206.205 0.370 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3CCOC[C@H]3C2)o1 ZINC000628238424 346195024 /nfs/dbraw/zinc/19/50/24/346195024.db2.gz YGZDPLJZZBOJPC-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3CCOC[C@H]3C2)o1 ZINC000628238424 346195025 /nfs/dbraw/zinc/19/50/25/346195025.db2.gz YGZDPLJZZBOJPC-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nc(C)nn1C ZINC000631470459 346196172 /nfs/dbraw/zinc/19/61/72/346196172.db2.gz ZGGBJRJPEDERRD-UHFFFAOYSA-N 1 2 248.290 0.270 20 0 BCADLO CCc1cc(N(C)CCC(=O)NC)nc[nH+]1 ZINC000603390205 349942888 /nfs/dbraw/zinc/94/28/88/349942888.db2.gz DSEVMDDVZJGBLS-UHFFFAOYSA-N 1 2 222.292 0.611 20 0 BCADLO CCN1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1=O ZINC000628238480 346196762 /nfs/dbraw/zinc/19/67/62/346196762.db2.gz ASDHJWAVXOIGDW-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C(N)=O ZINC000628253697 346229406 /nfs/dbraw/zinc/22/94/06/346229406.db2.gz SQRHAHFDXWKFBY-ZCFIWIBFSA-N 1 2 209.249 0.515 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000628251543 346221977 /nfs/dbraw/zinc/22/19/77/346221977.db2.gz LORYAVQMMNGVIK-NSHDSACASA-N 1 2 248.330 0.915 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000628251543 346221980 /nfs/dbraw/zinc/22/19/80/346221980.db2.gz LORYAVQMMNGVIK-NSHDSACASA-N 1 2 248.330 0.915 20 0 BCADLO Cc1c[nH]c(CN(CCO)CC(F)F)[nH+]1 ZINC000628256383 346254442 /nfs/dbraw/zinc/25/44/42/346254442.db2.gz UGWDANGVVLIEIP-UHFFFAOYSA-N 1 2 219.235 0.778 20 0 BCADLO Cc1c[nH]c(CN2CCOC[C@@]23CCOC3)[nH+]1 ZINC000628262161 346260760 /nfs/dbraw/zinc/26/07/60/346260760.db2.gz ZHODIGLWIWPUNR-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CSC1 ZINC000631155945 346259454 /nfs/dbraw/zinc/25/94/54/346259454.db2.gz IJGBASFRQPWABL-UHFFFAOYSA-N 1 2 211.290 0.731 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nc(C)c[nH]1 ZINC000628262354 346261673 /nfs/dbraw/zinc/26/16/73/346261673.db2.gz HJCRRNGHMVAQAL-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nc(C)c[nH]1 ZINC000628262354 346261674 /nfs/dbraw/zinc/26/16/74/346261674.db2.gz HJCRRNGHMVAQAL-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)NCC2(C)C)[nH+]1 ZINC000628263793 346262946 /nfs/dbraw/zinc/26/29/46/346262946.db2.gz NKQIJWGPNSJXRZ-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1[nH]c(CN2CC(=O)NCC2(C)C)[nH+]c1C ZINC000628263797 346263100 /nfs/dbraw/zinc/26/31/00/346263100.db2.gz NMLJXDCPRSJLIK-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603422044 349948194 /nfs/dbraw/zinc/94/81/94/349948194.db2.gz FVBSDPHPTRJCJM-GWCFXTLKSA-N 1 2 248.282 0.368 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cc(COC)on1 ZINC000641748978 362670724 /nfs/dbraw/zinc/67/07/24/362670724.db2.gz RKIUOXFQUFLZOD-UHFFFAOYSA-N 1 2 241.291 0.389 20 0 BCADLO O=C(C1CC(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136701586 346281792 /nfs/dbraw/zinc/28/17/92/346281792.db2.gz ILNYVQGCTMIFCQ-LLVKDONJSA-N 1 2 236.315 0.662 20 0 BCADLO O=C(C1CC(=O)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000136701586 346281793 /nfs/dbraw/zinc/28/17/93/346281793.db2.gz ILNYVQGCTMIFCQ-LLVKDONJSA-N 1 2 236.315 0.662 20 0 BCADLO O=C(C[NH2+]Cc1cnc(C2CC2)o1)NC1CC1 ZINC000628281282 346292414 /nfs/dbraw/zinc/29/24/14/346292414.db2.gz MDFKHSQJNVBQDE-UHFFFAOYSA-N 1 2 235.287 0.920 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1nc(C2CC2)no1 ZINC000641751831 362680297 /nfs/dbraw/zinc/68/02/97/362680297.db2.gz ZOBBEWBRFPTAPR-UHFFFAOYSA-N 1 2 247.258 0.942 20 0 BCADLO COCc1cc(C[NH2+]C2COCCOC2)no1 ZINC000641756123 362681377 /nfs/dbraw/zinc/68/13/77/362681377.db2.gz BOUFWCWDGVRRRS-UHFFFAOYSA-N 1 2 242.275 0.326 20 0 BCADLO C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000636142177 346332169 /nfs/dbraw/zinc/33/21/69/346332169.db2.gz GIEBFOTZGDIICM-FBIMIBRVSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000636142177 346332172 /nfs/dbraw/zinc/33/21/72/346332172.db2.gz GIEBFOTZGDIICM-FBIMIBRVSA-N 1 2 249.314 0.885 20 0 BCADLO CC[C@H]([NH2+]Cc1cc(COC)on1)C(=O)NC ZINC000641760268 362693019 /nfs/dbraw/zinc/69/30/19/362693019.db2.gz NXNXQMJKIAOLOR-JTQLQIEISA-N 1 2 241.291 0.435 20 0 BCADLO CC1(O)CC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000636102492 346319871 /nfs/dbraw/zinc/31/98/71/346319871.db2.gz OZXXZKRHZVGONG-RUETXSTFSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636110662 346322779 /nfs/dbraw/zinc/32/27/79/346322779.db2.gz MWKVKRSSFWMFNK-UTINFBMNSA-N 1 2 235.287 0.807 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636110662 346322781 /nfs/dbraw/zinc/32/27/81/346322781.db2.gz MWKVKRSSFWMFNK-UTINFBMNSA-N 1 2 235.287 0.807 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1O ZINC000679217167 488317334 /nfs/dbraw/zinc/31/73/34/488317334.db2.gz SWBPHXCYFYOSEL-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1O ZINC000679217167 488317335 /nfs/dbraw/zinc/31/73/35/488317335.db2.gz SWBPHXCYFYOSEL-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679218650 488318111 /nfs/dbraw/zinc/31/81/11/488318111.db2.gz DHTVJQFLLJRGKM-QWRGUYRKSA-N 1 2 246.326 0.819 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679218650 488318112 /nfs/dbraw/zinc/31/81/12/488318112.db2.gz DHTVJQFLLJRGKM-QWRGUYRKSA-N 1 2 246.326 0.819 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCn2nncc2C1 ZINC000574924703 346414119 /nfs/dbraw/zinc/41/41/19/346414119.db2.gz DCBYEZBXHZFWHM-UHFFFAOYSA-N 1 2 247.306 0.466 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCn2nncc2C1 ZINC000574924703 346414122 /nfs/dbraw/zinc/41/41/22/346414122.db2.gz DCBYEZBXHZFWHM-UHFFFAOYSA-N 1 2 247.306 0.466 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575063700 346487167 /nfs/dbraw/zinc/48/71/67/346487167.db2.gz BNWDHSCFKNLSCE-WDEREUQCSA-N 1 2 239.319 0.967 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@]12CCOC2 ZINC000332914824 346486020 /nfs/dbraw/zinc/48/60/20/346486020.db2.gz UUMBAXWXTJFGPA-WZRBSPASSA-N 1 2 249.314 0.814 20 0 BCADLO COCc1nc(C[N@H+](CCO)C(C)C)no1 ZINC000182411999 347095231 /nfs/dbraw/zinc/09/52/31/347095231.db2.gz QINDACFKKZDQQG-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000182411999 347095232 /nfs/dbraw/zinc/09/52/32/347095232.db2.gz QINDACFKKZDQQG-UHFFFAOYSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCC1=O ZINC000563468523 323127608 /nfs/dbraw/zinc/12/76/08/323127608.db2.gz UYOKGBXTVFAQRU-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCC1=O ZINC000563468523 323127609 /nfs/dbraw/zinc/12/76/09/323127609.db2.gz UYOKGBXTVFAQRU-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO CC(C)(CC(N)=O)[NH2+]Cc1noc(C2CC2)n1 ZINC000186215903 346497018 /nfs/dbraw/zinc/49/70/18/346497018.db2.gz FXGXCJHZGAEBEV-UHFFFAOYSA-N 1 2 238.291 0.691 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1F ZINC000679226850 488322439 /nfs/dbraw/zinc/32/24/39/488322439.db2.gz VVBILNSGKSXVMR-VHSXEESVSA-N 1 2 214.284 0.899 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1F ZINC000679226850 488322440 /nfs/dbraw/zinc/32/24/40/488322440.db2.gz VVBILNSGKSXVMR-VHSXEESVSA-N 1 2 214.284 0.899 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000203580705 346640249 /nfs/dbraw/zinc/64/02/49/346640249.db2.gz XCNRUJRSQAQNJY-JTQLQIEISA-N 1 2 242.319 0.193 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2ccno2)CCO1 ZINC000626172115 346714691 /nfs/dbraw/zinc/71/46/91/346714691.db2.gz QTHJNKFOPTVEOW-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2ccno2)CCO1 ZINC000626172115 346714692 /nfs/dbraw/zinc/71/46/92/346714692.db2.gz QTHJNKFOPTVEOW-NSHDSACASA-N 1 2 226.276 0.912 20 0 BCADLO Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)n1 ZINC000083872183 179141824 /nfs/dbraw/zinc/14/18/24/179141824.db2.gz WZTAKHSLBQRRQC-SECBINFHSA-N 1 2 221.260 0.317 20 0 BCADLO O=C(c1ccon1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589989029 346762300 /nfs/dbraw/zinc/76/23/00/346762300.db2.gz RQIJXXWTZCSFDY-UHFFFAOYSA-N 1 2 245.238 0.973 20 0 BCADLO O=C([C@H]1CCCO1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590006259 346762966 /nfs/dbraw/zinc/76/29/66/346762966.db2.gz YFEKBVFUSMETGL-GFCCVEGCSA-N 1 2 248.282 0.850 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387864132 347113504 /nfs/dbraw/zinc/11/35/04/347113504.db2.gz MDSISLRELUGNFH-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387864132 347113508 /nfs/dbraw/zinc/11/35/08/347113508.db2.gz MDSISLRELUGNFH-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000299891116 347151177 /nfs/dbraw/zinc/15/11/77/347151177.db2.gz HFBDZSYQBHNPRT-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000299891116 347151180 /nfs/dbraw/zinc/15/11/80/347151180.db2.gz HFBDZSYQBHNPRT-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1nccs1 ZINC000310040366 347222698 /nfs/dbraw/zinc/22/26/98/347222698.db2.gz XSEGQWAQSZUGRF-ZCFIWIBFSA-N 1 2 239.304 0.795 20 0 BCADLO CCN1CC[N@H+](CC(=O)N(C)C)C(C)(C)C1=O ZINC000186575493 347237759 /nfs/dbraw/zinc/23/77/59/347237759.db2.gz IFEJQMQAQCTULL-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CC[N@@H+](CC(=O)N(C)C)C(C)(C)C1=O ZINC000186575493 347237762 /nfs/dbraw/zinc/23/77/62/347237762.db2.gz IFEJQMQAQCTULL-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@H]([C@H](C)O)C2)[nH+]1 ZINC000628313564 347242785 /nfs/dbraw/zinc/24/27/85/347242785.db2.gz SVKATONCUNVGNX-UWVGGRQHSA-N 1 2 225.292 0.300 20 0 BCADLO CN1CC[N@H+](Cc2ccco2)[C@@H](CO)C1 ZINC000250369490 362800763 /nfs/dbraw/zinc/80/07/63/362800763.db2.gz HTUHKKZHOMBGGW-SNVBAGLBSA-N 1 2 210.277 0.388 20 0 BCADLO CN1CC[N@@H+](Cc2ccco2)[C@@H](CO)C1 ZINC000250369490 362800768 /nfs/dbraw/zinc/80/07/68/362800768.db2.gz HTUHKKZHOMBGGW-SNVBAGLBSA-N 1 2 210.277 0.388 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628297879 347261871 /nfs/dbraw/zinc/26/18/71/347261871.db2.gz OTNHHSGKNWBKAZ-JTQLQIEISA-N 1 2 238.287 0.745 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628297879 347261875 /nfs/dbraw/zinc/26/18/75/347261875.db2.gz OTNHHSGKNWBKAZ-JTQLQIEISA-N 1 2 238.287 0.745 20 0 BCADLO CCN1CCC[N@H+](Cc2cnn(C)c2)CC1=O ZINC000190186504 347323024 /nfs/dbraw/zinc/32/30/24/347323024.db2.gz RTNPRXRMMWAJBB-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCN1CCC[N@@H+](Cc2cnn(C)c2)CC1=O ZINC000190186504 347323026 /nfs/dbraw/zinc/32/30/26/347323026.db2.gz RTNPRXRMMWAJBB-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO COC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921121 347449904 /nfs/dbraw/zinc/44/99/04/347449904.db2.gz GBKRDMURLQVGOG-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO COC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921121 347449906 /nfs/dbraw/zinc/44/99/06/347449906.db2.gz GBKRDMURLQVGOG-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)NCCO)cn21 ZINC000069295503 179229775 /nfs/dbraw/zinc/22/97/75/179229775.db2.gz VOZQJOZEGHNDOH-UHFFFAOYSA-N 1 2 248.286 0.434 20 0 BCADLO Cc1cnn(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921421 347451227 /nfs/dbraw/zinc/45/12/27/347451227.db2.gz QAFKWIFXDUAVGH-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1cnn(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921421 347451229 /nfs/dbraw/zinc/45/12/29/347451229.db2.gz QAFKWIFXDUAVGH-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000616921978 347452656 /nfs/dbraw/zinc/45/26/56/347452656.db2.gz KOBHKCNCSNRMBZ-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000616921978 347452657 /nfs/dbraw/zinc/45/26/57/347452657.db2.gz KOBHKCNCSNRMBZ-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nn1C ZINC000616924339 347454488 /nfs/dbraw/zinc/45/44/88/347454488.db2.gz FMOXLYQJGHYEQO-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nn1C ZINC000616924339 347454491 /nfs/dbraw/zinc/45/44/91/347454491.db2.gz FMOXLYQJGHYEQO-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923866 347454927 /nfs/dbraw/zinc/45/49/27/347454927.db2.gz YTGPJNFPAZHSTD-QMMMGPOBSA-N 1 2 238.291 0.283 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923866 347454930 /nfs/dbraw/zinc/45/49/30/347454930.db2.gz YTGPJNFPAZHSTD-QMMMGPOBSA-N 1 2 238.291 0.283 20 0 BCADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)n1cccn1 ZINC000616923747 347454971 /nfs/dbraw/zinc/45/49/71/347454971.db2.gz SHPFELIMHNBGNR-VIFPVBQESA-N 1 2 233.275 0.826 20 0 BCADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)n1cccn1 ZINC000616923747 347454972 /nfs/dbraw/zinc/45/49/72/347454972.db2.gz SHPFELIMHNBGNR-VIFPVBQESA-N 1 2 233.275 0.826 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCOC1 ZINC000616924501 347455731 /nfs/dbraw/zinc/45/57/31/347455731.db2.gz LTEFCUGOYQSLSC-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCOC1 ZINC000616924501 347455734 /nfs/dbraw/zinc/45/57/34/347455734.db2.gz LTEFCUGOYQSLSC-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CC[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194432145 347421299 /nfs/dbraw/zinc/42/12/99/347421299.db2.gz AZPFGYQFIULSHH-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194432145 347421303 /nfs/dbraw/zinc/42/13/03/347421303.db2.gz AZPFGYQFIULSHH-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO O=C(c1cn[nH]c1)N1CCc2[nH]c[nH+]c2C1 ZINC000396916595 362841129 /nfs/dbraw/zinc/84/11/29/362841129.db2.gz GUHPQCRLOGNXKV-UHFFFAOYSA-N 1 2 217.232 0.331 20 0 BCADLO O=C(c1cn[nH]c1)N1CCc2[nH+]c[nH]c2C1 ZINC000396916595 362841131 /nfs/dbraw/zinc/84/11/31/362841131.db2.gz GUHPQCRLOGNXKV-UHFFFAOYSA-N 1 2 217.232 0.331 20 0 BCADLO C[C@H]1C[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000616927708 347456152 /nfs/dbraw/zinc/45/61/52/347456152.db2.gz OXWJWAJUHHXDPZ-IUCAKERBSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1C[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000616927708 347456158 /nfs/dbraw/zinc/45/61/58/347456158.db2.gz OXWJWAJUHHXDPZ-IUCAKERBSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc3n[nH]cc32)CC(=O)N1 ZINC000628299433 347423656 /nfs/dbraw/zinc/42/36/56/347423656.db2.gz OLHSUXAEFRZDAK-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc3n[nH]cc32)CC(=O)N1 ZINC000628299433 347423660 /nfs/dbraw/zinc/42/36/60/347423660.db2.gz OLHSUXAEFRZDAK-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC=CC1 ZINC000636558445 347424521 /nfs/dbraw/zinc/42/45/21/347424521.db2.gz RYDGBKZZLOJFRS-NSHDSACASA-N 1 2 239.319 0.289 20 0 BCADLO CC[C@@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924536 347456260 /nfs/dbraw/zinc/45/62/60/347456260.db2.gz MZZINYGNWCSQOF-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924536 347456262 /nfs/dbraw/zinc/45/62/62/347456262.db2.gz MZZINYGNWCSQOF-SECBINFHSA-N 1 2 211.265 0.793 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000616252743 347440715 /nfs/dbraw/zinc/44/07/15/347440715.db2.gz YWIVTCAFCIXBKX-MMWGEVLESA-N 1 2 224.304 0.184 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000616252743 347440719 /nfs/dbraw/zinc/44/07/19/347440719.db2.gz YWIVTCAFCIXBKX-MMWGEVLESA-N 1 2 224.304 0.184 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1COCCO1 ZINC000590723022 347493379 /nfs/dbraw/zinc/49/33/79/347493379.db2.gz LPLUGBOQSRBZHT-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1COCCO1 ZINC000590723022 347493383 /nfs/dbraw/zinc/49/33/83/347493383.db2.gz LPLUGBOQSRBZHT-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616928911 347495635 /nfs/dbraw/zinc/49/56/35/347495635.db2.gz PHAWAYUPHPOFGU-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO CO[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616928911 347495638 /nfs/dbraw/zinc/49/56/38/347495638.db2.gz PHAWAYUPHPOFGU-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000616927121 347459572 /nfs/dbraw/zinc/45/95/72/347459572.db2.gz AIIATVGXSLRFSV-JQWIXIFHSA-N 1 2 235.287 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000616927121 347459575 /nfs/dbraw/zinc/45/95/75/347459575.db2.gz AIIATVGXSLRFSV-JQWIXIFHSA-N 1 2 235.287 0.795 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000616927122 347459615 /nfs/dbraw/zinc/45/96/15/347459615.db2.gz AIIATVGXSLRFSV-PWSUYJOCSA-N 1 2 235.287 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000616927122 347459618 /nfs/dbraw/zinc/45/96/18/347459618.db2.gz AIIATVGXSLRFSV-PWSUYJOCSA-N 1 2 235.287 0.795 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926915 347459840 /nfs/dbraw/zinc/45/98/40/347459840.db2.gz VDURMCHXYZMGPT-WCBMZHEXSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926915 347459842 /nfs/dbraw/zinc/45/98/42/347459842.db2.gz VDURMCHXYZMGPT-WCBMZHEXSA-N 1 2 223.276 0.793 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cnn1 ZINC000616927180 347460230 /nfs/dbraw/zinc/46/02/30/347460230.db2.gz CCQHCEAMRWIWBX-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cnn1 ZINC000616927180 347460232 /nfs/dbraw/zinc/46/02/32/347460232.db2.gz CCQHCEAMRWIWBX-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CCc1nnc(NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC000182258314 347471830 /nfs/dbraw/zinc/47/18/30/347471830.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1nnc(NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC000182258314 347471832 /nfs/dbraw/zinc/47/18/32/347471832.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1n[nH]c(NC(=O)C[N@H+](C)C(C)C)n1 ZINC000182258314 347471834 /nfs/dbraw/zinc/47/18/34/347471834.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1n[nH]c(NC(=O)C[N@@H+](C)C(C)C)n1 ZINC000182258314 347471837 /nfs/dbraw/zinc/47/18/37/347471837.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1nc(NC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC000182258314 347471838 /nfs/dbraw/zinc/47/18/38/347471838.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO CCc1nc(NC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC000182258314 347471840 /nfs/dbraw/zinc/47/18/40/347471840.db2.gz QCCPVLOTFZFZOE-UHFFFAOYSA-N 1 2 225.296 0.646 20 0 BCADLO COC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000590601168 347475932 /nfs/dbraw/zinc/47/59/32/347475932.db2.gz RAZOPMGLEBOQAK-SSDOTTSWSA-N 1 2 209.249 0.329 20 0 BCADLO COC(=O)CCCN1CCn2c[nH+]cc2C1 ZINC000590599648 347479444 /nfs/dbraw/zinc/47/94/44/347479444.db2.gz KDMHUOKTZXPFJO-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO Cn1nccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577229895 365891795 /nfs/dbraw/zinc/89/17/95/365891795.db2.gz DSPPRCABEVTJJM-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO O=C(NCc1cc[nH]n1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636594408 347532175 /nfs/dbraw/zinc/53/21/75/347532175.db2.gz PUHQGYIKZMNFMD-SECBINFHSA-N 1 2 246.274 0.030 20 0 BCADLO CC(C)(O)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000571593250 323148860 /nfs/dbraw/zinc/14/88/60/323148860.db2.gz OUBHOAKOKAEDPK-UHFFFAOYSA-N 1 2 237.303 0.776 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)O)C(C)(C)C ZINC000591019318 347604707 /nfs/dbraw/zinc/60/47/07/347604707.db2.gz VNJNLJTUFQSCAJ-BDAKNGLRSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590952601 347594056 /nfs/dbraw/zinc/59/40/56/347594056.db2.gz IUGIEXQFLXGBRB-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590952601 347594059 /nfs/dbraw/zinc/59/40/59/347594059.db2.gz IUGIEXQFLXGBRB-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@](COC)([NH2+]C[C@H](C)CO)C(=O)OC ZINC000590966944 347596204 /nfs/dbraw/zinc/59/62/04/347596204.db2.gz JVGPORZDTFVIJN-GXSJLCMTSA-N 1 2 233.308 0.173 20 0 BCADLO Cn1cc(CNC(=O)CCCn2cc[nH+]c2)cn1 ZINC000591154325 347626774 /nfs/dbraw/zinc/62/67/74/347626774.db2.gz GZTLLYPMIMTROQ-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO Cn1ccnc1CNC(=O)CCCn1cc[nH+]c1 ZINC000591201923 347630018 /nfs/dbraw/zinc/63/00/18/347630018.db2.gz CETGDIOONGYFMC-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COC(C)(C)C1 ZINC000617050443 347640508 /nfs/dbraw/zinc/64/05/08/347640508.db2.gz TUVFSTUSZKVFTE-SECBINFHSA-N 1 2 237.303 0.646 20 0 BCADLO CC[C@H](C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC)OC ZINC000591375435 347650569 /nfs/dbraw/zinc/65/05/69/347650569.db2.gz VHZIHKDJISTDBU-AEJSXWLSSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC)OC ZINC000591375435 347650572 /nfs/dbraw/zinc/65/05/72/347650572.db2.gz VHZIHKDJISTDBU-AEJSXWLSSA-N 1 2 233.283 0.997 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591601551 347674783 /nfs/dbraw/zinc/67/47/83/347674783.db2.gz TVSAQXSSBULSLA-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591601551 347674787 /nfs/dbraw/zinc/67/47/87/347674787.db2.gz TVSAQXSSBULSLA-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591601549 347675320 /nfs/dbraw/zinc/67/53/20/347675320.db2.gz TVSAQXSSBULSLA-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591601549 347675321 /nfs/dbraw/zinc/67/53/21/347675321.db2.gz TVSAQXSSBULSLA-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CCn1cc[nH+]c1CN1CCn2c(C)nnc2C1 ZINC000591890139 347712177 /nfs/dbraw/zinc/71/21/77/347712177.db2.gz HGALBDPFLXFHON-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CCO ZINC000577296285 365921130 /nfs/dbraw/zinc/92/11/30/365921130.db2.gz WFIFKMCLMRTCGO-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CCO ZINC000577296285 365921137 /nfs/dbraw/zinc/92/11/37/365921137.db2.gz WFIFKMCLMRTCGO-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H]1CCC(=O)N1)C(=O)OC ZINC000593014118 347844428 /nfs/dbraw/zinc/84/44/28/347844428.db2.gz SSHSJOPKVHBGPC-JOYOIKCWSA-N 1 2 242.319 0.586 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C(C)(C)C ZINC000593023469 347846499 /nfs/dbraw/zinc/84/64/99/347846499.db2.gz UYWFBCLPRXYWFU-WPRPVWTQSA-N 1 2 242.319 0.442 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593025063 347846600 /nfs/dbraw/zinc/84/66/00/347846600.db2.gz NNEDVMIDQNCGNM-XXFAHNHDSA-N 1 2 244.360 0.108 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593025063 347846601 /nfs/dbraw/zinc/84/66/01/347846601.db2.gz NNEDVMIDQNCGNM-XXFAHNHDSA-N 1 2 244.360 0.108 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098421 347854898 /nfs/dbraw/zinc/85/48/98/347854898.db2.gz AGOKLXXPIXXDGC-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098421 347854899 /nfs/dbraw/zinc/85/48/99/347854899.db2.gz AGOKLXXPIXXDGC-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593098095 347855197 /nfs/dbraw/zinc/85/51/97/347855197.db2.gz VIHHATHRXFHUGG-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593098095 347855199 /nfs/dbraw/zinc/85/51/99/347855199.db2.gz VIHHATHRXFHUGG-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101504 347857713 /nfs/dbraw/zinc/85/77/13/347857713.db2.gz WEYGZAQTOOVPEA-XMZIXOGTSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101504 347857714 /nfs/dbraw/zinc/85/77/14/347857714.db2.gz WEYGZAQTOOVPEA-XMZIXOGTSA-N 1 2 239.344 0.434 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577315128 365923368 /nfs/dbraw/zinc/92/33/68/365923368.db2.gz JLNWAOXIDWHKGR-FSIBCCDJSA-N 1 2 237.303 0.406 20 0 BCADLO CNC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000593270946 347876367 /nfs/dbraw/zinc/87/63/67/347876367.db2.gz VIMFBJVHDAQDNE-UHFFFAOYSA-N 1 2 247.298 0.667 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000593277395 347877639 /nfs/dbraw/zinc/87/76/39/347877639.db2.gz WXORFFFHGQTFLS-VIFPVBQESA-N 1 2 235.287 0.665 20 0 BCADLO Cc1cc(N2C[C@@H]3C[C@H]2C[S@@]3=O)nc[nH+]1 ZINC000593509288 347901583 /nfs/dbraw/zinc/90/15/83/347901583.db2.gz CRLRLVQOBOGPKR-UTEYVOQOSA-N 1 2 223.301 0.495 20 0 BCADLO CC[C@@H](C[NH2+][C@](CC)(COC)C(=O)OC)OC ZINC000419278194 192110836 /nfs/dbraw/zinc/11/08/36/192110836.db2.gz HQUFPQRIBYKJNP-CMPLNLGQSA-N 1 2 247.335 0.969 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000594055039 348009916 /nfs/dbraw/zinc/00/99/16/348009916.db2.gz ISAYJCXTJMHFFM-QMMMGPOBSA-N 1 2 231.321 0.534 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000594055039 348009917 /nfs/dbraw/zinc/00/99/17/348009917.db2.gz ISAYJCXTJMHFFM-QMMMGPOBSA-N 1 2 231.321 0.534 20 0 BCADLO CC[C@H](C[NH2+][C@@](CC)(COC)C(=O)OC)OC ZINC000419278196 192111664 /nfs/dbraw/zinc/11/16/64/192111664.db2.gz HQUFPQRIBYKJNP-PWSUYJOCSA-N 1 2 247.335 0.969 20 0 BCADLO Cc1cccn2cc(Cn3cc(CO)nn3)[nH+]c12 ZINC000052222326 179356445 /nfs/dbraw/zinc/35/64/45/179356445.db2.gz HBDNLHOMWIZIQB-UHFFFAOYSA-N 1 2 243.270 0.775 20 0 BCADLO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)C(=O)OC ZINC000594721155 348107730 /nfs/dbraw/zinc/10/77/30/348107730.db2.gz MHDKUGKDQCGHJX-HTQZYQBOSA-N 1 2 237.246 0.952 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000594720791 348107785 /nfs/dbraw/zinc/10/77/85/348107785.db2.gz KRIAWAUYJDEDRF-RKDXNWHRSA-N 1 2 249.257 0.952 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000594720788 348107849 /nfs/dbraw/zinc/10/78/49/348107849.db2.gz KRIAWAUYJDEDRF-BDAKNGLRSA-N 1 2 249.257 0.952 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[NH+]1CCCCC1 ZINC000595289460 348213173 /nfs/dbraw/zinc/21/31/73/348213173.db2.gz FTFFXUVRDUSHMW-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595290786 348213608 /nfs/dbraw/zinc/21/36/08/348213608.db2.gz ZDZGHZZNBDCHGR-NXEZZACHSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595290786 348213611 /nfs/dbraw/zinc/21/36/11/348213611.db2.gz ZDZGHZZNBDCHGR-NXEZZACHSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[NH+]1CCCC1 ZINC000595290423 348213627 /nfs/dbraw/zinc/21/36/27/348213627.db2.gz BNKNZQRHFURRBT-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000595305679 348222779 /nfs/dbraw/zinc/22/27/79/348222779.db2.gz IWSGDTHSZCBWIU-NXEZZACHSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H](C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C)OC ZINC000595323559 348226539 /nfs/dbraw/zinc/22/65/39/348226539.db2.gz ZHJZOJWKOSIBPO-UDKBDQPSSA-N 1 2 249.376 0.489 20 0 BCADLO COC[C@H](C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C)OC ZINC000595323559 348226540 /nfs/dbraw/zinc/22/65/40/348226540.db2.gz ZHJZOJWKOSIBPO-UDKBDQPSSA-N 1 2 249.376 0.489 20 0 BCADLO Cc1cccnc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295087360 179371919 /nfs/dbraw/zinc/37/19/19/179371919.db2.gz STGKQFGRTBOCKB-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295087360 179371922 /nfs/dbraw/zinc/37/19/22/179371922.db2.gz STGKQFGRTBOCKB-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO COC(=O)[C@@H](C1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000595399731 348238258 /nfs/dbraw/zinc/23/82/58/348238258.db2.gz RSYGDCXYGAUFBA-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO COC[C@H](C[NH2+][C@](C)(C(=O)OC)C1CC1)OC ZINC000595405638 348239985 /nfs/dbraw/zinc/23/99/85/348239985.db2.gz ALQDRUFMPNSGKX-JQWIXIFHSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H](C[NH2+][C@H](C(=O)OC)C(C)C)OC ZINC000595429087 348248434 /nfs/dbraw/zinc/24/84/34/348248434.db2.gz BOFHQPXSBIRBLA-UWVGGRQHSA-N 1 2 233.308 0.435 20 0 BCADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)CC[S@]1=O ZINC000595460445 348257235 /nfs/dbraw/zinc/25/72/35/348257235.db2.gz VUASWPOPGAZVET-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO COC[C@H](C[N@H+](C)[C@H](C)C(=O)OC(C)C)OC ZINC000595348794 348236875 /nfs/dbraw/zinc/23/68/75/348236875.db2.gz UYJXXLWIVGJUJQ-MNOVXSKESA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@H](C[N@@H+](C)[C@H](C)C(=O)OC(C)C)OC ZINC000595348794 348236876 /nfs/dbraw/zinc/23/68/76/348236876.db2.gz UYJXXLWIVGJUJQ-MNOVXSKESA-N 1 2 247.335 0.920 20 0 BCADLO COC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000595509352 348265253 /nfs/dbraw/zinc/26/52/53/348265253.db2.gz RRIJMUKZYQFTHH-UHFFFAOYSA-N 1 2 201.266 0.444 20 0 BCADLO CC[C@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526274 348271454 /nfs/dbraw/zinc/27/14/54/348271454.db2.gz JBHJTRTVLCRWHW-WPRPVWTQSA-N 1 2 203.282 0.546 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCSC ZINC000595526282 348271556 /nfs/dbraw/zinc/27/15/56/348271556.db2.gz JMBXLOZVTOHARW-VIFPVBQESA-N 1 2 221.322 0.253 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H]1CCCO1 ZINC000595531137 348273294 /nfs/dbraw/zinc/27/32/94/348273294.db2.gz CRWNGBGFMKDIDO-ONGXEEELSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCCF ZINC000595531750 348273846 /nfs/dbraw/zinc/27/38/46/348273846.db2.gz KNQQUDKMLCSOBP-SECBINFHSA-N 1 2 207.245 0.250 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1(OC)CCC1 ZINC000595532569 348274680 /nfs/dbraw/zinc/27/46/80/348274680.db2.gz TYZSXJAGEHTKFZ-LLVKDONJSA-N 1 2 245.319 0.459 20 0 BCADLO CC[C@@H]([NH2+]CCc1cnc(C)cn1)C(=O)OC ZINC000419301050 192120047 /nfs/dbraw/zinc/12/00/47/192120047.db2.gz NIFDABZBOUYUDZ-LLVKDONJSA-N 1 2 237.303 0.869 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CCC2)CC(=O)N1C ZINC000419288872 192117931 /nfs/dbraw/zinc/11/79/31/192117931.db2.gz HYJXLMAUOZVJTN-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CCC2)CC(=O)N1C ZINC000419288872 192117932 /nfs/dbraw/zinc/11/79/32/192117932.db2.gz HYJXLMAUOZVJTN-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)C12CC(C1)CN2Cc1[nH+]ccn1C ZINC000595673405 348309188 /nfs/dbraw/zinc/30/91/88/348309188.db2.gz DEGAITNEKUCVAZ-UHFFFAOYSA-N 1 2 235.287 0.558 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595674360 348309462 /nfs/dbraw/zinc/30/94/62/348309462.db2.gz LHDKOFZRYWRUPY-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)CC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595674360 348309464 /nfs/dbraw/zinc/30/94/64/348309464.db2.gz LHDKOFZRYWRUPY-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO CC(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082680054 348325856 /nfs/dbraw/zinc/32/58/56/348325856.db2.gz YPCBZFVIAZGWMK-QMMMGPOBSA-N 1 2 240.225 0.074 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCOC1 ZINC000595769955 348335544 /nfs/dbraw/zinc/33/55/44/348335544.db2.gz PLECENZIKWLLLN-GXSJLCMTSA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCc1[nH+]ccn1C ZINC000595768410 348335629 /nfs/dbraw/zinc/33/56/29/348335629.db2.gz BZOZXVISUHSUPL-LLVKDONJSA-N 1 2 243.282 0.801 20 0 BCADLO COCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770372 348335925 /nfs/dbraw/zinc/33/59/25/348335925.db2.gz RJXNTCMUZJUTQY-JTQLQIEISA-N 1 2 221.272 0.904 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595772726 348337392 /nfs/dbraw/zinc/33/73/92/348337392.db2.gz NIAUHCRNAQROHZ-KWQFWETISA-N 1 2 246.282 0.146 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](C)CO ZINC000595773856 348337413 /nfs/dbraw/zinc/33/74/13/348337413.db2.gz FFNSYWRANYNQNV-WPRPVWTQSA-N 1 2 221.272 0.496 20 0 BCADLO CC(C)=C(F)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000124231603 187394931 /nfs/dbraw/zinc/39/49/31/187394931.db2.gz DZOMMAQEIYMFEZ-VHSXEESVSA-N 1 2 242.294 0.791 20 0 BCADLO CC(C)=C(F)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000124231603 187394932 /nfs/dbraw/zinc/39/49/32/187394932.db2.gz DZOMMAQEIYMFEZ-VHSXEESVSA-N 1 2 242.294 0.791 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1cnn(C)c1 ZINC000595860008 348382007 /nfs/dbraw/zinc/38/20/07/348382007.db2.gz JRMZIWZJIZXILJ-UHFFFAOYSA-N 1 2 249.314 0.948 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1cnn(C)c1 ZINC000595860008 348382011 /nfs/dbraw/zinc/38/20/11/348382011.db2.gz JRMZIWZJIZXILJ-UHFFFAOYSA-N 1 2 249.314 0.948 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cnc[nH]2)C1 ZINC000595857156 348357796 /nfs/dbraw/zinc/35/77/96/348357796.db2.gz WAAVDFIWQHVRNW-WAAGHKOSSA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)C1 ZINC000595857156 348357799 /nfs/dbraw/zinc/35/77/99/348357799.db2.gz WAAVDFIWQHVRNW-WAAGHKOSSA-N 1 2 223.276 0.793 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)C ZINC000623496094 362920314 /nfs/dbraw/zinc/92/03/14/362920314.db2.gz HFYBNIFZIDXNNU-SNVBAGLBSA-N 1 2 243.351 0.662 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)C ZINC000623496094 362920320 /nfs/dbraw/zinc/92/03/20/362920320.db2.gz HFYBNIFZIDXNNU-SNVBAGLBSA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000595909527 348398116 /nfs/dbraw/zinc/39/81/16/348398116.db2.gz AFFGIOAFRQYEQO-LPEHRKFASA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595914127 348399689 /nfs/dbraw/zinc/39/96/89/348399689.db2.gz BJKJNBVSXQFFAT-JTQLQIEISA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595914127 348399690 /nfs/dbraw/zinc/39/96/90/348399690.db2.gz BJKJNBVSXQFFAT-JTQLQIEISA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)O)c1 ZINC000596056166 348434776 /nfs/dbraw/zinc/43/47/76/348434776.db2.gz SJTJYRACOAJWER-MRVPVSSYSA-N 1 2 224.260 0.590 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCc2c(ncn2C)C1 ZINC000603556079 349992971 /nfs/dbraw/zinc/99/29/71/349992971.db2.gz PRAYYPWBKHJRJC-JTQLQIEISA-N 1 2 239.319 0.176 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCc2c(ncn2C)C1 ZINC000603556079 349992972 /nfs/dbraw/zinc/99/29/72/349992972.db2.gz PRAYYPWBKHJRJC-JTQLQIEISA-N 1 2 239.319 0.176 20 0 BCADLO CCOC[C@@H](O)CN1CCc2c([nH+]cn2C)C1 ZINC000603556079 349992974 /nfs/dbraw/zinc/99/29/74/349992974.db2.gz PRAYYPWBKHJRJC-JTQLQIEISA-N 1 2 239.319 0.176 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CCOCC2 ZINC000531373266 348470172 /nfs/dbraw/zinc/47/01/72/348470172.db2.gz NENCNENCUIRLKU-SECBINFHSA-N 1 2 248.282 0.964 20 0 BCADLO COC(=O)c1cncnc1N(C)Cc1c[nH+]c[nH]1 ZINC000596304733 348492237 /nfs/dbraw/zinc/49/22/37/348492237.db2.gz DAGOJAXPTAHMKG-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1cncnc1N(C)Cc1c[nH]c[nH+]1 ZINC000596304733 348492239 /nfs/dbraw/zinc/49/22/39/348492239.db2.gz DAGOJAXPTAHMKG-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1nccc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000596306767 348492264 /nfs/dbraw/zinc/49/22/64/348492264.db2.gz RYGJCWYVVOYERX-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1nccc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000596306767 348492266 /nfs/dbraw/zinc/49/22/66/348492266.db2.gz RYGJCWYVVOYERX-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC[C@@H](C(=O)Nc1cc[nH+]cc1O)[C@@H](C)O ZINC000419862870 192147447 /nfs/dbraw/zinc/14/74/47/192147447.db2.gz BYGPEACPAZUSMV-HTQZYQBOSA-N 1 2 224.260 0.555 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@](C)=O)n1C ZINC000597084482 348656145 /nfs/dbraw/zinc/65/61/45/348656145.db2.gz ZTMKKEQPKUPFGR-ABKXIKBNSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@](C)=O)n1C ZINC000597084482 348656147 /nfs/dbraw/zinc/65/61/47/348656147.db2.gz ZTMKKEQPKUPFGR-ABKXIKBNSA-N 1 2 243.376 0.927 20 0 BCADLO COC[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000529925375 323194145 /nfs/dbraw/zinc/19/41/45/323194145.db2.gz SXSVGLUZVANKJI-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000597221136 348692463 /nfs/dbraw/zinc/69/24/63/348692463.db2.gz NLIQXKFJSWENCS-OTSSQURYSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)C[C@H]1F ZINC000335091006 133761248 /nfs/dbraw/zinc/76/12/48/133761248.db2.gz OFGHRLCOLCDLTN-LDYMZIIASA-N 1 2 223.251 0.973 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597862111 348825827 /nfs/dbraw/zinc/82/58/27/348825827.db2.gz GRCDKYIBWAAVOG-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597862111 348825830 /nfs/dbraw/zinc/82/58/30/348825830.db2.gz GRCDKYIBWAAVOG-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO CSCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000597853935 348826421 /nfs/dbraw/zinc/82/64/21/348826421.db2.gz DZAANCLXWNIQIK-UHFFFAOYSA-N 1 2 213.306 0.740 20 0 BCADLO CSCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000597853935 348826425 /nfs/dbraw/zinc/82/64/25/348826425.db2.gz DZAANCLXWNIQIK-UHFFFAOYSA-N 1 2 213.306 0.740 20 0 BCADLO COC(=O)C1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000597859146 348829156 /nfs/dbraw/zinc/82/91/56/348829156.db2.gz ZXUVXSGHFUDAHR-UHFFFAOYSA-N 1 2 237.259 0.321 20 0 BCADLO COC(=O)C1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000597859146 348829160 /nfs/dbraw/zinc/82/91/60/348829160.db2.gz ZXUVXSGHFUDAHR-UHFFFAOYSA-N 1 2 237.259 0.321 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCCC[C@H]1O ZINC000555880363 490197671 /nfs/dbraw/zinc/19/76/71/490197671.db2.gz LETWNKOOXWPGIP-NXEZZACHSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCCC[C@H]1O ZINC000555880363 490197682 /nfs/dbraw/zinc/19/76/82/490197682.db2.gz LETWNKOOXWPGIP-NXEZZACHSA-N 1 2 224.308 0.788 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@]12C[C@@H]1CCC2 ZINC000421738824 192377573 /nfs/dbraw/zinc/37/75/73/192377573.db2.gz WRBORBBHYFNFRI-AAEUAGOBSA-N 1 2 238.331 0.625 20 0 BCADLO Cn1cc(C[N@H+](C)CCOCC(F)F)nn1 ZINC000661745707 490213388 /nfs/dbraw/zinc/21/33/88/490213388.db2.gz UBXVKDYPFMVRPW-UHFFFAOYSA-N 1 2 234.250 0.529 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOCC(F)F)nn1 ZINC000661745707 490213401 /nfs/dbraw/zinc/21/34/01/490213401.db2.gz UBXVKDYPFMVRPW-UHFFFAOYSA-N 1 2 234.250 0.529 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000308895452 349055458 /nfs/dbraw/zinc/05/54/58/349055458.db2.gz ZDKOSWIINCEGMI-KCJUWKMLSA-N 1 2 215.293 0.953 20 0 BCADLO CSC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000598948887 349070794 /nfs/dbraw/zinc/07/07/94/349070794.db2.gz VVFWYJMLIUBYCW-QMMMGPOBSA-N 1 2 237.328 0.820 20 0 BCADLO CC(C)N1CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349020424 538025372 /nfs/dbraw/zinc/02/53/72/538025372.db2.gz UCBASLOTBUFGBP-UHFFFAOYSA-N 1 2 236.275 0.593 20 0 BCADLO Cc1c[nH]c(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)n1 ZINC000628302011 349083743 /nfs/dbraw/zinc/08/37/43/349083743.db2.gz NKXSIIIEUOUPRG-GHMZBOCLSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]c(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)n1 ZINC000628302011 349083747 /nfs/dbraw/zinc/08/37/47/349083747.db2.gz NKXSIIIEUOUPRG-GHMZBOCLSA-N 1 2 239.319 0.690 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1C[C@H]1C ZINC000599438393 349177272 /nfs/dbraw/zinc/17/72/72/349177272.db2.gz VSXPBRVGHPSOBE-WEDXCCLWSA-N 1 2 201.266 0.156 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599389896 349168551 /nfs/dbraw/zinc/16/85/51/349168551.db2.gz ARYHTNRXYMRYTQ-NXEZZACHSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599389896 349168554 /nfs/dbraw/zinc/16/85/54/349168554.db2.gz ARYHTNRXYMRYTQ-NXEZZACHSA-N 1 2 245.319 0.146 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCOCC12CC2 ZINC000599402778 349172483 /nfs/dbraw/zinc/17/24/83/349172483.db2.gz FTIHAGUHAHDUMS-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCOCC12CC2 ZINC000599402778 349172484 /nfs/dbraw/zinc/17/24/84/349172484.db2.gz FTIHAGUHAHDUMS-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO COC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625017 349230850 /nfs/dbraw/zinc/23/08/50/349230850.db2.gz KYQWGCTXQXJGRY-GHCJXIJMSA-N 1 2 201.266 0.561 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC(N)=O)Cc2ccccc21 ZINC000599671103 349240372 /nfs/dbraw/zinc/24/03/72/349240372.db2.gz XOZRTPBSLMHFBC-LLVKDONJSA-N 1 2 248.282 0.244 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC(N)=O)Cc2ccccc21 ZINC000599671103 349240376 /nfs/dbraw/zinc/24/03/76/349240376.db2.gz XOZRTPBSLMHFBC-LLVKDONJSA-N 1 2 248.282 0.244 20 0 BCADLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CC(N)=O ZINC000599497799 349200068 /nfs/dbraw/zinc/20/00/68/349200068.db2.gz RXNMLOCNKHKFEM-LBPRGKRZSA-N 1 2 242.319 0.668 20 0 BCADLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CC(N)=O ZINC000599497799 349200071 /nfs/dbraw/zinc/20/00/71/349200071.db2.gz RXNMLOCNKHKFEM-LBPRGKRZSA-N 1 2 242.319 0.668 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000628313714 349260878 /nfs/dbraw/zinc/26/08/78/349260878.db2.gz YBVWBAHHMMALOR-BXKDBHETSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000628313714 349260881 /nfs/dbraw/zinc/26/08/81/349260881.db2.gz YBVWBAHHMMALOR-BXKDBHETSA-N 1 2 240.303 0.873 20 0 BCADLO CNC(=O)CCN(C)c1cc(C)[nH+]cn1 ZINC000599867728 349265477 /nfs/dbraw/zinc/26/54/77/349265477.db2.gz DIPSMXMWNVWKBE-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO Cc1nc(CSc2nc(N)cc(N)[nH+]2)n[nH]1 ZINC000291815149 179836376 /nfs/dbraw/zinc/83/63/76/179836376.db2.gz YXKYLKMZNIRDBF-UHFFFAOYSA-N 1 2 237.292 0.360 20 0 BCADLO CC(C)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000055080442 349281728 /nfs/dbraw/zinc/28/17/28/349281728.db2.gz FCDJXTSFXUWSEV-LLVKDONJSA-N 1 2 200.326 0.641 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)C(C)C)C(C)C ZINC000300826484 349342697 /nfs/dbraw/zinc/34/26/97/349342697.db2.gz BNYVNAWBWXTHOM-VHSXEESVSA-N 1 2 217.309 0.791 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969107 349406031 /nfs/dbraw/zinc/40/60/31/349406031.db2.gz ISFHLMCZXZKOKX-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969107 349406036 /nfs/dbraw/zinc/40/60/36/349406036.db2.gz ISFHLMCZXZKOKX-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602030741 349420661 /nfs/dbraw/zinc/42/06/61/349420661.db2.gz OCAPWQMAALXIEG-UHFFFAOYSA-N 1 2 247.254 0.546 20 0 BCADLO CCc1cc(N[C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000217502015 350059497 /nfs/dbraw/zinc/05/94/97/350059497.db2.gz XKFKMYPGFWEMEV-SECBINFHSA-N 1 2 220.276 0.682 20 0 BCADLO COC(=O)c1cncnc1NCCn1cc[nH+]c1 ZINC000302268057 350068070 /nfs/dbraw/zinc/06/80/70/350068070.db2.gz AJYNEPGENKIORS-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO Cc1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000218898185 350106762 /nfs/dbraw/zinc/10/67/62/350106762.db2.gz AYJSBSRAYJWUEM-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1[nH]c(=O)ccc1C(=O)NCc1[nH+]ccn1C ZINC000269574630 180026447 /nfs/dbraw/zinc/02/64/47/180026447.db2.gz CFKIJBMNLXIPBO-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000375755908 180041814 /nfs/dbraw/zinc/04/18/14/180041814.db2.gz GQRABMUJRZAKEU-IONNQARKSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000375755908 180041817 /nfs/dbraw/zinc/04/18/17/180041817.db2.gz GQRABMUJRZAKEU-IONNQARKSA-N 1 2 238.291 0.431 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)no1 ZINC000051791877 350117130 /nfs/dbraw/zinc/11/71/30/350117130.db2.gz WAJSCABVPRYUTM-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)no1 ZINC000051791877 350117131 /nfs/dbraw/zinc/11/71/31/350117131.db2.gz WAJSCABVPRYUTM-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO Cc1c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cnn1C ZINC000426158472 191025635 /nfs/dbraw/zinc/02/56/35/191025635.db2.gz CPLPTXPOWXEMEA-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cnn1C ZINC000426158472 191025637 /nfs/dbraw/zinc/02/56/37/191025637.db2.gz CPLPTXPOWXEMEA-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nc(N[C@H](C)C(N)=O)c2c([nH+]1)CCCC2 ZINC000272915504 180070987 /nfs/dbraw/zinc/07/09/87/180070987.db2.gz SEYFTWMNEWYRDK-SSDOTTSWSA-N 1 2 234.303 0.950 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000132518293 191032941 /nfs/dbraw/zinc/03/29/41/191032941.db2.gz BPNWBGGFWVBSIW-IUCAKERBSA-N 1 2 228.292 0.183 20 0 BCADLO Cc1nc(N(C)CCC(N)=O)c2c([nH+]1)CCCC2 ZINC000286574835 180069129 /nfs/dbraw/zinc/06/91/29/180069129.db2.gz QOZSJQORTZCHIO-UHFFFAOYSA-N 1 2 248.330 0.975 20 0 BCADLO Cc1[nH+]c2n(c1C)CCN(C[C@H](C)O)C2 ZINC000369389497 180108813 /nfs/dbraw/zinc/10/88/13/180108813.db2.gz PPQXXVLWHNCARB-QMMMGPOBSA-N 1 2 209.293 0.696 20 0 BCADLO Cc1nc(N[C@@H](C)CC[S@](C)=O)nc(N)[nH+]1 ZINC000304431560 350156564 /nfs/dbraw/zinc/15/65/64/350156564.db2.gz GKBHCLWJCCKTBT-MUCOVADDSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)CC[S@](C)=O)[nH+]1 ZINC000304431560 350156569 /nfs/dbraw/zinc/15/65/69/350156569.db2.gz GKBHCLWJCCKTBT-MUCOVADDSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N[C@@H](C)CC[S@@](C)=O)nc(N)[nH+]1 ZINC000304431561 350156765 /nfs/dbraw/zinc/15/67/65/350156765.db2.gz GKBHCLWJCCKTBT-XABCROFNSA-N 1 2 243.336 0.331 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)CC[S@@](C)=O)[nH+]1 ZINC000304431561 350156768 /nfs/dbraw/zinc/15/67/68/350156768.db2.gz GKBHCLWJCCKTBT-XABCROFNSA-N 1 2 243.336 0.331 20 0 BCADLO CC(C)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177432270 535108172 /nfs/dbraw/zinc/10/81/72/535108172.db2.gz IMVUMMCCZSNVBI-UHFFFAOYSA-N 1 2 236.319 0.725 20 0 BCADLO CC(C)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177432270 535108176 /nfs/dbraw/zinc/10/81/76/535108176.db2.gz IMVUMMCCZSNVBI-UHFFFAOYSA-N 1 2 236.319 0.725 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000328610576 180113298 /nfs/dbraw/zinc/11/32/98/180113298.db2.gz NUIGUEUIPYFJJQ-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000328610576 180113300 /nfs/dbraw/zinc/11/33/00/180113300.db2.gz NUIGUEUIPYFJJQ-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](C[C@H](O)C(C)(C)C)C2 ZINC000336704009 180113344 /nfs/dbraw/zinc/11/33/44/180113344.db2.gz LTHSBVJBSLGWMB-JTQLQIEISA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC000336704009 180113345 /nfs/dbraw/zinc/11/33/45/180113345.db2.gz LTHSBVJBSLGWMB-JTQLQIEISA-N 1 2 238.335 0.809 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(O)C1 ZINC000177987970 180103573 /nfs/dbraw/zinc/10/35/73/180103573.db2.gz JSUDJVVSDPOMBM-UHFFFAOYSA-N 1 2 245.282 0.548 20 0 BCADLO Cc1[nH]c(C(=O)NC2(CCO)CC2)c[nH+]1 ZINC000331451356 180129045 /nfs/dbraw/zinc/12/90/45/180129045.db2.gz GVRDEIFPMXBXAM-UHFFFAOYSA-N 1 2 209.249 0.363 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@](C)(O)C2CC2)c[nH+]1 ZINC000331664937 180129572 /nfs/dbraw/zinc/12/95/72/180129572.db2.gz MVKPSNKBRGGGOJ-LLVKDONJSA-N 1 2 223.276 0.609 20 0 BCADLO O=c1[nH]nc(C[NH+]2C[C@@H]3CCC[C@H]3C2)[nH]1 ZINC000092619087 490359042 /nfs/dbraw/zinc/35/90/42/490359042.db2.gz CLELMIOSNICGOE-YUMQZZPRSA-N 1 2 208.265 0.330 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH+]ccn2C)c(C)n1 ZINC000271950213 180132661 /nfs/dbraw/zinc/13/26/61/180132661.db2.gz JDCMVEYPXPHYOI-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000338934354 180137349 /nfs/dbraw/zinc/13/73/49/180137349.db2.gz BJCLKBBJEPFTSW-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000338934354 180137350 /nfs/dbraw/zinc/13/73/50/180137350.db2.gz BJCLKBBJEPFTSW-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000338412970 180137391 /nfs/dbraw/zinc/13/73/91/180137391.db2.gz SVNHIBANEDCZQZ-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000338412970 180137392 /nfs/dbraw/zinc/13/73/92/180137392.db2.gz SVNHIBANEDCZQZ-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCNC2=O)s1 ZINC000178292529 180139244 /nfs/dbraw/zinc/13/92/44/180139244.db2.gz DYYAKOCHLZXDRI-VIFPVBQESA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCNC2=O)s1 ZINC000178292529 180139247 /nfs/dbraw/zinc/13/92/47/180139247.db2.gz DYYAKOCHLZXDRI-VIFPVBQESA-N 1 2 225.317 0.772 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COC(F)F ZINC000353716660 180119127 /nfs/dbraw/zinc/11/91/27/180119127.db2.gz VJVWKYYLHWFXBA-UHFFFAOYSA-N 1 2 219.191 0.574 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(=O)n(C)c1 ZINC000359516127 180119338 /nfs/dbraw/zinc/11/93/38/180119338.db2.gz KWRCITQLPCGGNG-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCO[C@@H]1C ZINC000335946599 180120626 /nfs/dbraw/zinc/12/06/26/180120626.db2.gz HGUAQWAOWNMVSS-RKDXNWHRSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCO1 ZINC000336570477 180120731 /nfs/dbraw/zinc/12/07/31/180120731.db2.gz IBHGIOPRHADNMS-JTQLQIEISA-N 1 2 223.276 0.903 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc[nH]1 ZINC000335839271 180121293 /nfs/dbraw/zinc/12/12/93/180121293.db2.gz ZJRLBZNXBDHXNC-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(C)c(=O)c1 ZINC000353160923 180121489 /nfs/dbraw/zinc/12/14/89/180121489.db2.gz MGJPJYRJZIQGDO-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(C(C)C)nn1 ZINC000341750749 180122392 /nfs/dbraw/zinc/12/23/92/180122392.db2.gz NHGOPTZADPFVSH-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(CO)C(C)C ZINC000427364192 191060572 /nfs/dbraw/zinc/06/05/72/191060572.db2.gz DCIIXDMOHBBFFY-GFCCVEGCSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@](C)(CO)C(C)C ZINC000427364192 191060574 /nfs/dbraw/zinc/06/05/74/191060574.db2.gz DCIIXDMOHBBFFY-GFCCVEGCSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1ncc(C[NH2+]Cc2ncc[nH]2)c(=O)[nH]1 ZINC000309611772 180153296 /nfs/dbraw/zinc/15/32/96/180153296.db2.gz AJMHTOKOKNSRQK-UHFFFAOYSA-N 1 2 219.248 0.504 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637143674 350217173 /nfs/dbraw/zinc/21/71/73/350217173.db2.gz IUCUPANKFTYSIG-WCABBAIRSA-N 1 2 234.303 0.906 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000428292774 191076480 /nfs/dbraw/zinc/07/64/80/191076480.db2.gz CSRQDQXKIPRRPH-PWSUYJOCSA-N 1 2 247.335 0.705 20 0 BCADLO Cc1nnc(C[N@H+](C)CCc2cnccn2)[nH]1 ZINC000428292771 191077106 /nfs/dbraw/zinc/07/71/06/191077106.db2.gz CSPCFJQCYBRTQC-UHFFFAOYSA-N 1 2 232.291 0.578 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCc2cnccn2)[nH]1 ZINC000428292771 191077108 /nfs/dbraw/zinc/07/71/08/191077108.db2.gz CSPCFJQCYBRTQC-UHFFFAOYSA-N 1 2 232.291 0.578 20 0 BCADLO Cc1nnc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)[nH]1 ZINC000428477243 191079766 /nfs/dbraw/zinc/07/97/66/191079766.db2.gz DMASTYGMPFNISH-YUMQZZPRSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1nc(NCCCc2cnn(C)n2)cc[nH+]1 ZINC000292661927 180198022 /nfs/dbraw/zinc/19/80/22/180198022.db2.gz CKEKNVPRCBUCIZ-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO Cc1nc(NCCCc2nnc[nH]2)cc[nH+]1 ZINC000070646440 180198655 /nfs/dbraw/zinc/19/86/55/180198655.db2.gz BGFFVHJJGWYDEF-UHFFFAOYSA-N 1 2 218.264 0.948 20 0 BCADLO Cc1nc(NCCCc2nc[nH]n2)cc[nH+]1 ZINC000070646440 180198656 /nfs/dbraw/zinc/19/86/56/180198656.db2.gz BGFFVHJJGWYDEF-UHFFFAOYSA-N 1 2 218.264 0.948 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@@H](C(N)=O)O2)cc[nH+]1 ZINC000162921273 180200961 /nfs/dbraw/zinc/20/09/61/180200961.db2.gz LHZFVKOYMPRRKM-BDAKNGLRSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1nc(NCc2nnc3n2CCC3)cc[nH+]1 ZINC000266157075 180202290 /nfs/dbraw/zinc/20/22/90/180202290.db2.gz MGVDPAJAYRDNBI-UHFFFAOYSA-N 1 2 230.275 0.935 20 0 BCADLO Cc1nc(NCc2nncn2C)cc[nH+]1 ZINC000054935972 180203687 /nfs/dbraw/zinc/20/36/87/180203687.db2.gz CIFYKCVUUMTKMG-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1nc(N[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000054936459 180203820 /nfs/dbraw/zinc/20/38/20/180203820.db2.gz XDUMJFHEVAEYQH-MRVPVSSYSA-N 1 2 206.249 0.476 20 0 BCADLO Cc1nnc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000428477241 191078909 /nfs/dbraw/zinc/07/89/09/191078909.db2.gz DMASTYGMPFNISH-DIYOJNKTSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1nnc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000428477241 191078911 /nfs/dbraw/zinc/07/89/11/191078911.db2.gz DMASTYGMPFNISH-DIYOJNKTSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1nc(N[C@H](CO)C2CCOCC2)cc[nH+]1 ZINC000360180866 180204776 /nfs/dbraw/zinc/20/47/76/180204776.db2.gz DWYQYONNGHWETA-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO Cc1nc(N[C@H](C(N)=O)C(C)C)cc[nH+]1 ZINC000152536086 180206170 /nfs/dbraw/zinc/20/61/70/180206170.db2.gz HVBGTTOKGBWDAK-VIFPVBQESA-N 1 2 208.265 0.707 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000352890719 180182848 /nfs/dbraw/zinc/18/28/48/180182848.db2.gz YWYGPDUIQCEXRW-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000352890719 180182851 /nfs/dbraw/zinc/18/28/51/180182851.db2.gz YWYGPDUIQCEXRW-FVMDXXJSSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)n1 ZINC000353132873 180186727 /nfs/dbraw/zinc/18/67/27/180186727.db2.gz DDMCMIWRIREWJM-CABZTGNLSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)n1 ZINC000353132873 180186728 /nfs/dbraw/zinc/18/67/28/180186728.db2.gz DDMCMIWRIREWJM-CABZTGNLSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000336692512 180220670 /nfs/dbraw/zinc/22/06/70/180220670.db2.gz HWBBWKCRLYPOAR-MFKMUULPSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000336692512 180220673 /nfs/dbraw/zinc/22/06/73/180220673.db2.gz HWBBWKCRLYPOAR-MFKMUULPSA-N 1 2 236.315 0.972 20 0 BCADLO O=C(NCCCCF)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637162289 350228737 /nfs/dbraw/zinc/22/87/37/350228737.db2.gz VNRVUMXAPCCLCG-VIFPVBQESA-N 1 2 240.282 0.857 20 0 BCADLO Cc1ncccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000085727762 180224553 /nfs/dbraw/zinc/22/45/53/180224553.db2.gz GRWLYMTZWXOSMM-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO Cc1ncccc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000085727794 180224746 /nfs/dbraw/zinc/22/47/46/180224746.db2.gz AWYCIQHYRNUWPV-JTQLQIEISA-N 1 2 221.260 0.317 20 0 BCADLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000372828227 180227782 /nfs/dbraw/zinc/22/77/82/180227782.db2.gz BAZVCXJOMCBZMM-SNVBAGLBSA-N 1 2 235.287 0.328 20 0 BCADLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000372828227 180227784 /nfs/dbraw/zinc/22/77/84/180227784.db2.gz BAZVCXJOMCBZMM-SNVBAGLBSA-N 1 2 235.287 0.328 20 0 BCADLO Cc1[nH+]ccn1CCN(C)Cc1nc[nH]n1 ZINC000336697116 180249289 /nfs/dbraw/zinc/24/92/89/180249289.db2.gz HTCRMDQGKIDXQE-UHFFFAOYSA-N 1 2 220.280 0.442 20 0 BCADLO Cc1[nH+]ccn1CCN(C)Cc1nnc[nH]1 ZINC000336697116 180249292 /nfs/dbraw/zinc/24/92/92/180249292.db2.gz HTCRMDQGKIDXQE-UHFFFAOYSA-N 1 2 220.280 0.442 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccncc1F ZINC000334985335 538081266 /nfs/dbraw/zinc/08/12/66/538081266.db2.gz PVXCSKIFINJJAM-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)C2)s1 ZINC000391731146 538077506 /nfs/dbraw/zinc/07/75/06/538077506.db2.gz DBQOSOALXXPQCV-MRVPVSSYSA-N 1 2 227.333 0.915 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)C2)s1 ZINC000391731146 538077510 /nfs/dbraw/zinc/07/75/10/538077510.db2.gz DBQOSOALXXPQCV-MRVPVSSYSA-N 1 2 227.333 0.915 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000429001334 191088723 /nfs/dbraw/zinc/08/87/23/191088723.db2.gz XVCJOOUBTQKCMT-NSHDSACASA-N 1 2 222.292 0.868 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000429001334 191088726 /nfs/dbraw/zinc/08/87/26/191088726.db2.gz XVCJOOUBTQKCMT-NSHDSACASA-N 1 2 222.292 0.868 20 0 BCADLO Cc1[nH+]ccn1CCCNC(=O)c1nnc[nH]1 ZINC000269425943 180243881 /nfs/dbraw/zinc/24/38/81/180243881.db2.gz JEHYDMWRZAOBMU-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO Cc1[nH+]ccn1CCCNC(=O)c1ncn[nH]1 ZINC000269425943 180243884 /nfs/dbraw/zinc/24/38/84/180243884.db2.gz JEHYDMWRZAOBMU-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO Cc1[nH+]ccn1CCCNC(=O)c1nc[nH]n1 ZINC000269425943 180243886 /nfs/dbraw/zinc/24/38/86/180243886.db2.gz JEHYDMWRZAOBMU-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO CC[C@@](C)(C[NH2+][C@H](C)C(=O)OC)OC ZINC000319190529 350263188 /nfs/dbraw/zinc/26/31/88/350263188.db2.gz OLXPMKNQEGKZLB-SCZZXKLOSA-N 1 2 203.282 0.953 20 0 BCADLO CCNC(=O)C1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628306809 350263278 /nfs/dbraw/zinc/26/32/78/350263278.db2.gz XFGQNHRCPJMUPG-UHFFFAOYSA-N 1 2 222.292 0.286 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000309317692 350306481 /nfs/dbraw/zinc/30/64/81/350306481.db2.gz GJKPXBLWUJKEPQ-NSHDSACASA-N 1 2 223.276 0.257 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000309325633 350320342 /nfs/dbraw/zinc/32/03/42/350320342.db2.gz QSZXIUBKHVPRRC-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000309325633 350320346 /nfs/dbraw/zinc/32/03/46/350320346.db2.gz QSZXIUBKHVPRRC-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000309325632 350320398 /nfs/dbraw/zinc/32/03/98/350320398.db2.gz QSZXIUBKHVPRRC-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000309325632 350320400 /nfs/dbraw/zinc/32/04/00/350320400.db2.gz QSZXIUBKHVPRRC-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO Cc1ncncc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299081427 180296502 /nfs/dbraw/zinc/29/65/02/180296502.db2.gz SIJGEJGNUXWVON-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO Cc1ncoc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000329605810 180298132 /nfs/dbraw/zinc/29/81/32/180298132.db2.gz MGRYPTBIWJYARG-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000426528299 191095846 /nfs/dbraw/zinc/09/58/46/191095846.db2.gz YVDJYUYDPLPFJF-LLVKDONJSA-N 1 2 240.307 0.495 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000426528299 191095848 /nfs/dbraw/zinc/09/58/48/191095848.db2.gz YVDJYUYDPLPFJF-LLVKDONJSA-N 1 2 240.307 0.495 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(Br)o1 ZINC000030213150 350371700 /nfs/dbraw/zinc/37/17/00/350371700.db2.gz UBVJCWJJDKOMCE-UHFFFAOYSA-N 1 2 247.092 0.959 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(Br)o1 ZINC000030213150 350371704 /nfs/dbraw/zinc/37/17/04/350371704.db2.gz UBVJCWJJDKOMCE-UHFFFAOYSA-N 1 2 247.092 0.959 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)O ZINC000606611535 350390634 /nfs/dbraw/zinc/39/06/34/350390634.db2.gz MCAWVXNHSWUMGM-SECBINFHSA-N 1 2 240.307 0.342 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@H+](C)CCO ZINC000037899265 180349642 /nfs/dbraw/zinc/34/96/42/180349642.db2.gz XNTSRYKIRBKMRQ-UHFFFAOYSA-N 1 2 217.700 0.806 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCO ZINC000037899265 180349644 /nfs/dbraw/zinc/34/96/44/180349644.db2.gz XNTSRYKIRBKMRQ-UHFFFAOYSA-N 1 2 217.700 0.806 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000294974377 180337732 /nfs/dbraw/zinc/33/77/32/180337732.db2.gz JGGPDTHKMBVRRY-QMMMGPOBSA-N 1 2 236.319 0.357 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000294974377 180337736 /nfs/dbraw/zinc/33/77/36/180337736.db2.gz JGGPDTHKMBVRRY-QMMMGPOBSA-N 1 2 236.319 0.357 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@H](CO)C1 ZINC000267617327 180338834 /nfs/dbraw/zinc/33/88/34/180338834.db2.gz LVUSPVGRKPQMDG-NSHDSACASA-N 1 2 239.319 0.230 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@H](CO)C1 ZINC000267617327 180338837 /nfs/dbraw/zinc/33/88/37/180338837.db2.gz LVUSPVGRKPQMDG-NSHDSACASA-N 1 2 239.319 0.230 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1(CC)CC1 ZINC000637308201 350430191 /nfs/dbraw/zinc/43/01/91/350430191.db2.gz AWMDAXAGVOFUIL-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1(CC)CC1 ZINC000637308201 350430194 /nfs/dbraw/zinc/43/01/94/350430194.db2.gz AWMDAXAGVOFUIL-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC[NH+]1CCN(Cc2cnns2)CC1 ZINC000336696492 350452069 /nfs/dbraw/zinc/45/20/69/350452069.db2.gz TYINSNDXSYGGGN-UHFFFAOYSA-N 1 2 212.322 0.676 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn2c(n1)CCCC2 ZINC000335228582 538092640 /nfs/dbraw/zinc/09/26/40/538092640.db2.gz LYRDKUGDINZTNM-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1CCO ZINC000581700346 350484205 /nfs/dbraw/zinc/48/42/05/350484205.db2.gz WKYPCIWVMWOHAX-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO CCOCC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000070017283 350493775 /nfs/dbraw/zinc/49/37/75/350493775.db2.gz QZHURZNNXQUVAA-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO CCOCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000070017283 350493780 /nfs/dbraw/zinc/49/37/80/350493780.db2.gz QZHURZNNXQUVAA-SECBINFHSA-N 1 2 223.338 0.388 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1(C)CC=CC1 ZINC000637389668 350520611 /nfs/dbraw/zinc/52/06/11/350520611.db2.gz PKJHWSJJYHCUEY-LLVKDONJSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1(C)CC=CC1 ZINC000637389668 350520613 /nfs/dbraw/zinc/52/06/13/350520613.db2.gz PKJHWSJJYHCUEY-LLVKDONJSA-N 1 2 238.331 0.932 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCOC1 ZINC000577499626 365970758 /nfs/dbraw/zinc/97/07/58/365970758.db2.gz DVVDCERJNFYFIA-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO CC[N@@H+](Cc1csnn1)C[C@H](C)O ZINC000336650973 350576407 /nfs/dbraw/zinc/57/64/07/350576407.db2.gz IYSIBVOFEPKHHC-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@H+](Cc1csnn1)C[C@H](C)O ZINC000336650973 350576410 /nfs/dbraw/zinc/57/64/10/350576410.db2.gz IYSIBVOFEPKHHC-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO Cc1nc(N(C)C[C@H](O)C2CC2)cc[nH+]1 ZINC000080233417 490627599 /nfs/dbraw/zinc/62/75/99/490627599.db2.gz VXNLHXUAVOXNPB-JTQLQIEISA-N 1 2 207.277 0.992 20 0 BCADLO CCC1(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637443296 350584037 /nfs/dbraw/zinc/58/40/37/350584037.db2.gz WSJVJBCJJCIIHE-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO CCC1(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637443296 350584040 /nfs/dbraw/zinc/58/40/40/350584040.db2.gz WSJVJBCJJCIIHE-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO CNc1cnc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000230105893 350595480 /nfs/dbraw/zinc/59/54/80/350595480.db2.gz JKJSZEVJRGVRCK-UHFFFAOYSA-N 1 2 246.274 0.182 20 0 BCADLO CNC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606904677 350627818 /nfs/dbraw/zinc/62/78/18/350627818.db2.gz OPJSMASWGOBBFR-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606904677 350627821 /nfs/dbraw/zinc/62/78/21/350627821.db2.gz OPJSMASWGOBBFR-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CC[N@@H+](Cc1csnn1)C[C@@H](C)O ZINC000308331588 350660387 /nfs/dbraw/zinc/66/03/87/350660387.db2.gz IYSIBVOFEPKHHC-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@H+](Cc1csnn1)C[C@@H](C)O ZINC000308331588 350660391 /nfs/dbraw/zinc/66/03/91/350660391.db2.gz IYSIBVOFEPKHHC-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000096477684 350679125 /nfs/dbraw/zinc/67/91/25/350679125.db2.gz ARRHDNGUSSKIRX-SNVBAGLBSA-N 1 2 213.325 0.149 20 0 BCADLO CCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000096477684 350679127 /nfs/dbraw/zinc/67/91/27/350679127.db2.gz ARRHDNGUSSKIRX-SNVBAGLBSA-N 1 2 213.325 0.149 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1ncnn1C ZINC000177265182 365990792 /nfs/dbraw/zinc/99/07/92/365990792.db2.gz APGICBGEBQREPZ-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1ncnn1C ZINC000177265182 365990797 /nfs/dbraw/zinc/99/07/97/365990797.db2.gz APGICBGEBQREPZ-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO CC(C)(F)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637594217 350761627 /nfs/dbraw/zinc/76/16/27/350761627.db2.gz FVOOIEOZYLPHOI-MRVPVSSYSA-N 1 2 240.282 0.855 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200295 350739269 /nfs/dbraw/zinc/73/92/69/350739269.db2.gz LOQQBEYIUSBFPW-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200295 350739276 /nfs/dbraw/zinc/73/92/76/350739276.db2.gz LOQQBEYIUSBFPW-DTWKUNHWSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200299 350739576 /nfs/dbraw/zinc/73/95/76/350739576.db2.gz LOQQBEYIUSBFPW-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339200299 350739580 /nfs/dbraw/zinc/73/95/80/350739580.db2.gz LOQQBEYIUSBFPW-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[N@H+](Cc1noc(CCOC)n1)[C@@H](C)CO ZINC000339625834 350768557 /nfs/dbraw/zinc/76/85/57/350768557.db2.gz AXDJHQMFYXXTCJ-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@@H+](Cc1noc(CCOC)n1)[C@@H](C)CO ZINC000339625834 350768560 /nfs/dbraw/zinc/76/85/60/350768560.db2.gz AXDJHQMFYXXTCJ-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC(C)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339682616 350773745 /nfs/dbraw/zinc/77/37/45/350773745.db2.gz XDRPELAMNBHULJ-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC1(C)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000073871093 350776907 /nfs/dbraw/zinc/77/69/07/350776907.db2.gz VPPWSAHXXOVLOD-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000073871093 350776913 /nfs/dbraw/zinc/77/69/13/350776913.db2.gz VPPWSAHXXOVLOD-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO O[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607059183 350811613 /nfs/dbraw/zinc/81/16/13/350811613.db2.gz KJMHRYBRXMHXIQ-SECBINFHSA-N 1 2 231.259 0.233 20 0 BCADLO CC(=O)N[C@H]1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628315780 350913119 /nfs/dbraw/zinc/91/31/19/350913119.db2.gz WJJAYSYKCUCFFY-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000637623288 350920961 /nfs/dbraw/zinc/92/09/61/350920961.db2.gz WQRMKUNLMOQQMA-ZJUUUORDSA-N 1 2 238.291 0.397 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086759578 350929088 /nfs/dbraw/zinc/92/90/88/350929088.db2.gz XOYWUIOHEHNDEH-IUCAKERBSA-N 1 2 223.276 0.793 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101305 350937123 /nfs/dbraw/zinc/93/71/23/350937123.db2.gz OJDPBVHORJHPLF-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101305 350937126 /nfs/dbraw/zinc/93/71/26/350937126.db2.gz OJDPBVHORJHPLF-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)o1 ZINC000628315246 350876846 /nfs/dbraw/zinc/87/68/46/350876846.db2.gz DNNKHKAXPXOOCL-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)o1 ZINC000628315246 350876850 /nfs/dbraw/zinc/87/68/50/350876850.db2.gz DNNKHKAXPXOOCL-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO COC1CC(C(=O)Nc2cc[nH+]cc2O)C1 ZINC000626290835 350891957 /nfs/dbraw/zinc/89/19/57/350891957.db2.gz GVFLRDOEHKEIHN-UHFFFAOYSA-N 1 2 222.244 0.573 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000052188208 350960386 /nfs/dbraw/zinc/96/03/86/350960386.db2.gz DVFNURHUFWVRNP-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000052188208 350960388 /nfs/dbraw/zinc/96/03/88/350960388.db2.gz DVFNURHUFWVRNP-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000052188207 350960438 /nfs/dbraw/zinc/96/04/38/350960438.db2.gz DVFNURHUFWVRNP-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000052188207 350960440 /nfs/dbraw/zinc/96/04/40/350960440.db2.gz DVFNURHUFWVRNP-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1cocn1 ZINC000397992888 350992181 /nfs/dbraw/zinc/99/21/81/350992181.db2.gz PAYKFLTVLXWAGM-UHFFFAOYSA-N 1 2 230.231 0.963 20 0 BCADLO CN(C[C@H]1CCS(=O)(=O)C1)c1cccc[nH+]1 ZINC000607147955 350947470 /nfs/dbraw/zinc/94/74/70/350947470.db2.gz FGBQSOQVTCUVDF-SNVBAGLBSA-N 1 2 240.328 0.953 20 0 BCADLO COCCCNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442684 350947975 /nfs/dbraw/zinc/94/79/75/350947975.db2.gz HXRXXIQAWSQQKT-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO COCCCNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442684 350947978 /nfs/dbraw/zinc/94/79/78/350947978.db2.gz HXRXXIQAWSQQKT-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccon1 ZINC000052616538 351022647 /nfs/dbraw/zinc/02/26/47/351022647.db2.gz SETNFEDDHFDXBQ-SECBINFHSA-N 1 2 239.275 0.460 20 0 BCADLO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccon1 ZINC000052616538 351022650 /nfs/dbraw/zinc/02/26/50/351022650.db2.gz SETNFEDDHFDXBQ-SECBINFHSA-N 1 2 239.275 0.460 20 0 BCADLO OCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC000616645636 351168511 /nfs/dbraw/zinc/16/85/11/351168511.db2.gz GFGGNEOHZNYBKL-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC000616645636 351168513 /nfs/dbraw/zinc/16/85/13/351168513.db2.gz GFGGNEOHZNYBKL-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO Cc1[nH]c(CN2CCn3nncc3C2)[nH+]c1C ZINC000628327078 351263512 /nfs/dbraw/zinc/26/35/12/351263512.db2.gz HKPBDRFGUOKNSR-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO CN(C)c1cc(NC(=O)Cc2nc[nH]n2)cc[nH+]1 ZINC000631622677 351256893 /nfs/dbraw/zinc/25/68/93/351256893.db2.gz SZVZZWLYBWCFMA-UHFFFAOYSA-N 1 2 246.274 0.447 20 0 BCADLO CN(C)c1cc(NC(=O)Cc2nnc[nH]2)cc[nH+]1 ZINC000631622677 351256895 /nfs/dbraw/zinc/25/68/95/351256895.db2.gz SZVZZWLYBWCFMA-UHFFFAOYSA-N 1 2 246.274 0.447 20 0 BCADLO CC(=O)NCCN(C)Cc1[nH]cc(C)[nH+]1 ZINC000628322136 351203834 /nfs/dbraw/zinc/20/38/34/351203834.db2.gz DBLSHEUKUYYGIW-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO Cc1c[nH]c(CN2CN(C)C(=O)[C@H]2C)[nH+]1 ZINC000628323016 351212607 /nfs/dbraw/zinc/21/26/07/351212607.db2.gz WOOWDHCDZBLXEV-MRVPVSSYSA-N 1 2 208.265 0.338 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000628341309 351285497 /nfs/dbraw/zinc/28/54/97/351285497.db2.gz JALRIYPKBHWVBF-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000628341309 351285499 /nfs/dbraw/zinc/28/54/99/351285499.db2.gz JALRIYPKBHWVBF-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO C[C@H](CC(=O)NCC(F)(F)CO)n1cc[nH+]c1 ZINC000571808203 323483859 /nfs/dbraw/zinc/48/38/59/323483859.db2.gz NKVMEXRUUHXGNH-MRVPVSSYSA-N 1 2 247.245 0.578 20 0 BCADLO Cc1[nH]c(CN2CCc3nn[nH]c3C2)[nH+]c1C ZINC000628352707 351316464 /nfs/dbraw/zinc/31/64/64/351316464.db2.gz QRPUBNRBJILKSM-UHFFFAOYSA-N 1 2 232.291 0.703 20 0 BCADLO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000306965571 351385530 /nfs/dbraw/zinc/38/55/30/351385530.db2.gz KFLNCSMXGKVTBT-GJMOJQLCSA-N 1 2 201.291 0.643 20 0 BCADLO COc1ccc[nH+]c1N1CCC(O)(CO)CC1 ZINC000313618040 351391483 /nfs/dbraw/zinc/39/14/83/351391483.db2.gz BZRBUGCIFOCGLO-UHFFFAOYSA-N 1 2 238.287 0.414 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000366791253 351347131 /nfs/dbraw/zinc/34/71/31/351347131.db2.gz CIFQTOBNIPNTQE-ZDCRXTMVSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CC[C@H](C)O1 ZINC000366791253 351347133 /nfs/dbraw/zinc/34/71/33/351347133.db2.gz CIFQTOBNIPNTQE-ZDCRXTMVSA-N 1 2 243.303 0.162 20 0 BCADLO CC[C@@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269359955 351353311 /nfs/dbraw/zinc/35/33/11/351353311.db2.gz BTEVOHWFWOBVEN-MRVPVSSYSA-N 1 2 211.265 0.609 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cn1 ZINC000414573587 351423150 /nfs/dbraw/zinc/42/31/50/351423150.db2.gz LYKXBDXHYBYVRY-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cn1 ZINC000414573587 351423155 /nfs/dbraw/zinc/42/31/55/351423155.db2.gz LYKXBDXHYBYVRY-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CCc1nc(C[NH+]2CC(C(=O)NC)C2)cs1 ZINC000274494583 351570552 /nfs/dbraw/zinc/57/05/52/351570552.db2.gz GMOWQFSCKCHQSV-UHFFFAOYSA-N 1 2 239.344 0.883 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccco1 ZINC000088094549 351597612 /nfs/dbraw/zinc/59/76/12/351597612.db2.gz HLCJPJCWVFJOJY-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccco1 ZINC000088094549 351597617 /nfs/dbraw/zinc/59/76/17/351597617.db2.gz HLCJPJCWVFJOJY-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccn1 ZINC000088094461 351597835 /nfs/dbraw/zinc/59/78/35/351597835.db2.gz BGNVQZZAOVSGFD-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccn1 ZINC000088094461 351597838 /nfs/dbraw/zinc/59/78/38/351597838.db2.gz BGNVQZZAOVSGFD-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO CCN1CCCN(c2cc[nH+]c(C)n2)CC1=O ZINC000276062850 351609048 /nfs/dbraw/zinc/60/90/48/351609048.db2.gz AKULLICRUOALNG-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO CC[C@@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276642420 351640775 /nfs/dbraw/zinc/64/07/75/351640775.db2.gz VBXZXNSEDWSUJQ-HMDXOVGESA-N 1 2 248.286 0.160 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000577671961 366033656 /nfs/dbraw/zinc/03/36/56/366033656.db2.gz COCIBSZUWSMKGX-UWVGGRQHSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@H](C(=O)Nc1ccccc1)N1CC[NH2+]CC1=O ZINC000637869055 351728783 /nfs/dbraw/zinc/72/87/83/351728783.db2.gz LOJDZFMRMNIZLE-SNVBAGLBSA-N 1 2 247.298 0.445 20 0 BCADLO C[N@H+](Cc1ccsc1)Cc1cnc(N)nc1N ZINC000637872991 351739720 /nfs/dbraw/zinc/73/97/20/351739720.db2.gz CJWVUIBRSXHLLC-UHFFFAOYSA-N 1 2 249.343 0.995 20 0 BCADLO C[N@@H+](Cc1ccsc1)Cc1cnc(N)nc1N ZINC000637872991 351739722 /nfs/dbraw/zinc/73/97/22/351739722.db2.gz CJWVUIBRSXHLLC-UHFFFAOYSA-N 1 2 249.343 0.995 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)[nH]1 ZINC000278888217 351789587 /nfs/dbraw/zinc/78/95/87/351789587.db2.gz NWCVZFCOWMYEFB-LBPRGKRZSA-N 1 2 249.318 0.079 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)[nH]1 ZINC000278888217 351789589 /nfs/dbraw/zinc/78/95/89/351789589.db2.gz NWCVZFCOWMYEFB-LBPRGKRZSA-N 1 2 249.318 0.079 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(F)c1N ZINC000637954937 351831744 /nfs/dbraw/zinc/83/17/44/351831744.db2.gz FQUOSUMSMTYJQR-UHFFFAOYSA-N 1 2 239.294 0.976 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(F)c1N ZINC000637954937 351831749 /nfs/dbraw/zinc/83/17/49/351831749.db2.gz FQUOSUMSMTYJQR-UHFFFAOYSA-N 1 2 239.294 0.976 20 0 BCADLO Cn1cc[nH+]c1CSc1nc(N)n[nH]1 ZINC000037034960 358466889 /nfs/dbraw/zinc/46/68/89/358466889.db2.gz GAPWAWQGDQNZDV-UHFFFAOYSA-N 1 2 210.266 0.413 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2ncncc12 ZINC000637989328 351864460 /nfs/dbraw/zinc/86/44/60/351864460.db2.gz JSVJYBDPLFNBJX-MRVPVSSYSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2ncncc12 ZINC000637989328 351864461 /nfs/dbraw/zinc/86/44/61/351864461.db2.gz JSVJYBDPLFNBJX-MRVPVSSYSA-N 1 2 245.286 0.230 20 0 BCADLO Nc1nc(N)c(CN(CC(F)F)C2CC2)c[nH+]1 ZINC000638055363 351930278 /nfs/dbraw/zinc/93/02/78/351930278.db2.gz KZJRUKKSYPDNAO-UHFFFAOYSA-N 1 2 243.261 0.531 20 0 BCADLO CC[N@H+](Cc1ccnn1C)[C@H]1CCNC1=O ZINC000282489278 351934560 /nfs/dbraw/zinc/93/45/60/351934560.db2.gz VZBXYKITOFFGPC-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1ccnn1C)[C@H]1CCNC1=O ZINC000282489278 351934562 /nfs/dbraw/zinc/93/45/62/351934562.db2.gz VZBXYKITOFFGPC-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)(C)c1nnc(C[NH2+]C2COC2)[nH]1 ZINC000331750646 187538591 /nfs/dbraw/zinc/53/85/91/187538591.db2.gz FSMMWOBRECARBF-UHFFFAOYSA-N 1 2 210.281 0.591 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N[C@H](C2CC2)C1=O ZINC000329625608 187538795 /nfs/dbraw/zinc/53/87/95/187538795.db2.gz SWHYZGRVNZDXFT-SECBINFHSA-N 1 2 234.259 0.455 20 0 BCADLO COc1cncc(C[N@@H+]2CCNC(=O)CC2)c1C ZINC000638030326 351911209 /nfs/dbraw/zinc/91/12/09/351911209.db2.gz DPQVQFONXZBOQW-UHFFFAOYSA-N 1 2 249.314 0.721 20 0 BCADLO COc1cncc(C[N@H+]2CCNC(=O)CC2)c1C ZINC000638030326 351911213 /nfs/dbraw/zinc/91/12/13/351911213.db2.gz DPQVQFONXZBOQW-UHFFFAOYSA-N 1 2 249.314 0.721 20 0 BCADLO Cn1cc(NC(=O)CCn2cc[nH+]c2)ccc1=O ZINC000299625042 180657624 /nfs/dbraw/zinc/65/76/24/180657624.db2.gz FPBNBPZPZRWDED-UHFFFAOYSA-N 1 2 246.270 0.611 20 0 BCADLO Nc1nc(N)c(CN2CCOC3(CCC3)C2)c[nH+]1 ZINC000638113671 351990275 /nfs/dbraw/zinc/99/02/75/351990275.db2.gz CNJGTAHBXNBEFC-UHFFFAOYSA-N 1 2 249.318 0.057 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000638185430 352050445 /nfs/dbraw/zinc/05/04/45/352050445.db2.gz YLPLPJHIVPSTPB-MNOVXSKESA-N 1 2 248.330 0.692 20 0 BCADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000638185430 352050448 /nfs/dbraw/zinc/05/04/48/352050448.db2.gz YLPLPJHIVPSTPB-MNOVXSKESA-N 1 2 248.330 0.692 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000340213115 352057232 /nfs/dbraw/zinc/05/72/32/352057232.db2.gz STNHREWWRIXWIG-SNVBAGLBSA-N 1 2 222.292 0.223 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340213115 352057234 /nfs/dbraw/zinc/05/72/34/352057234.db2.gz STNHREWWRIXWIG-SNVBAGLBSA-N 1 2 222.292 0.223 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3ccns3)CCN12 ZINC000638163667 352028125 /nfs/dbraw/zinc/02/81/25/352028125.db2.gz GQKSRUCHHSVNNA-QMMMGPOBSA-N 1 2 238.316 0.353 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3ccns3)CCN12 ZINC000638163667 352028128 /nfs/dbraw/zinc/02/81/28/352028128.db2.gz GQKSRUCHHSVNNA-QMMMGPOBSA-N 1 2 238.316 0.353 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000083995525 352207641 /nfs/dbraw/zinc/20/76/41/352207641.db2.gz SSBQYOCQZLYSCD-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000083995525 352207642 /nfs/dbraw/zinc/20/76/42/352207642.db2.gz SSBQYOCQZLYSCD-SNVBAGLBSA-N 1 2 224.308 0.502 20 0 BCADLO CCS(=O)(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC000638441913 352248631 /nfs/dbraw/zinc/24/86/31/352248631.db2.gz LCJUORDBSPNHQS-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO CC[C@H]([NH2+][C@H](C)[C@@H](C)CO)C(=O)OC ZINC000228702638 363171695 /nfs/dbraw/zinc/17/16/95/363171695.db2.gz YGPALDNCGORISY-YIZRAAEISA-N 1 2 203.282 0.545 20 0 BCADLO COC(=O)[C@H]1CCCCN1Cc1cn(C)c[nH+]1 ZINC000618904071 352330108 /nfs/dbraw/zinc/33/01/08/352330108.db2.gz BZFLFVCSNBCEQU-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@](C)([NH2+]CCC(=O)OC)C(=O)OC ZINC000411435701 191186598 /nfs/dbraw/zinc/18/65/98/191186598.db2.gz CKZSXIYMGSDGOR-SNVBAGLBSA-N 1 2 217.265 0.481 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)[C@H](C)C1 ZINC000296589878 352451725 /nfs/dbraw/zinc/45/17/25/352451725.db2.gz NLFFQCGIOBJQHI-SNVBAGLBSA-N 1 2 249.314 0.750 20 0 BCADLO CC[N@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)[C@H](C)C1 ZINC000296589878 352451730 /nfs/dbraw/zinc/45/17/30/352451730.db2.gz NLFFQCGIOBJQHI-SNVBAGLBSA-N 1 2 249.314 0.750 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@](C)(O)C1CCC1 ZINC000362748956 180745465 /nfs/dbraw/zinc/74/54/65/180745465.db2.gz SXXLICBHBJKBPL-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccccn1 ZINC000041567408 180745475 /nfs/dbraw/zinc/74/54/75/180745475.db2.gz DHQQTZKQGUVMTN-UHFFFAOYSA-N 1 2 216.244 0.745 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccnnc1 ZINC000342253163 180745803 /nfs/dbraw/zinc/74/58/03/180745803.db2.gz QTVYWPKDVHYVQS-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ncc[nH]1 ZINC000613413037 363188958 /nfs/dbraw/zinc/18/89/58/363188958.db2.gz JNADKIRRVNYBEB-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CCCCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299082806 352519571 /nfs/dbraw/zinc/51/95/71/352519571.db2.gz SLCNOYUBFFBUSE-SNVBAGLBSA-N 1 2 245.348 0.991 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000617408369 352524616 /nfs/dbraw/zinc/52/46/16/352524616.db2.gz PYVRASSNBLNKDF-HBNTYKKESA-N 1 2 249.314 0.819 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000638761381 352696604 /nfs/dbraw/zinc/69/66/04/352696604.db2.gz ZWKOQFYXCFQFKI-DGCLKSJQSA-N 1 2 244.298 0.563 20 0 BCADLO CO[C@](C)([C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000411967867 191234969 /nfs/dbraw/zinc/23/49/69/191234969.db2.gz IVZMMGWNNXWPJB-RDDDGLTNSA-N 1 2 240.307 0.804 20 0 BCADLO COC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412022256 191237698 /nfs/dbraw/zinc/23/76/98/191237698.db2.gz RQKDZXQBKUCRFB-MRVPVSSYSA-N 1 2 201.266 0.707 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc[nH+]1 ZINC000334173079 352757158 /nfs/dbraw/zinc/75/71/58/352757158.db2.gz BRIXRJBXQOJDAD-KWQFWETISA-N 1 2 247.298 0.665 20 0 BCADLO C/C=C(\C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000267529863 187845205 /nfs/dbraw/zinc/84/52/05/187845205.db2.gz RLMAALNKDYAOKY-INJWIWPUSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC3)C[C@@H]21 ZINC000334183939 352772600 /nfs/dbraw/zinc/77/26/00/352772600.db2.gz BRKGBGXFEKWXSA-WDEREUQCSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC3)C[C@@H]21 ZINC000334183939 352772603 /nfs/dbraw/zinc/77/26/03/352772603.db2.gz BRKGBGXFEKWXSA-WDEREUQCSA-N 1 2 239.319 0.263 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000412034502 191248552 /nfs/dbraw/zinc/24/85/52/191248552.db2.gz KCCLTTIQROHLBV-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000412034502 191248555 /nfs/dbraw/zinc/24/85/55/191248555.db2.gz KCCLTTIQROHLBV-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334190665 352781311 /nfs/dbraw/zinc/78/13/11/352781311.db2.gz HJIJGIYXOBUOEP-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334190665 352781316 /nfs/dbraw/zinc/78/13/16/352781316.db2.gz HJIJGIYXOBUOEP-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCOC[C@H]2C)C1 ZINC000334203677 352797547 /nfs/dbraw/zinc/79/75/47/352797547.db2.gz RDKCHIKCHIXIAA-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCOC[C@H]2C)C1 ZINC000334203677 352797549 /nfs/dbraw/zinc/79/75/49/352797549.db2.gz RDKCHIKCHIXIAA-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000334204908 352799530 /nfs/dbraw/zinc/79/95/30/352799530.db2.gz SXJIPXZHZFQXBJ-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000334204908 352799532 /nfs/dbraw/zinc/79/95/32/352799532.db2.gz SXJIPXZHZFQXBJ-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000334236009 352853863 /nfs/dbraw/zinc/85/38/63/352853863.db2.gz HPUZLSPMHQLZAI-WDEREUQCSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000334236009 352853867 /nfs/dbraw/zinc/85/38/67/352853867.db2.gz HPUZLSPMHQLZAI-WDEREUQCSA-N 1 2 239.363 0.632 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412065474 191256172 /nfs/dbraw/zinc/25/61/72/191256172.db2.gz FSDAPWPFUYVSGW-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412065474 191256173 /nfs/dbraw/zinc/25/61/73/191256173.db2.gz FSDAPWPFUYVSGW-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO O=C(N1CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000334250451 352844417 /nfs/dbraw/zinc/84/44/17/352844417.db2.gz ASQSBWIVZOHPBP-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412092651 191258312 /nfs/dbraw/zinc/25/83/12/191258312.db2.gz QPIOLZJEQHAWNN-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412092651 191258316 /nfs/dbraw/zinc/25/83/16/191258316.db2.gz QPIOLZJEQHAWNN-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000342869354 352883707 /nfs/dbraw/zinc/88/37/07/352883707.db2.gz WWZKBLYPFPQEBB-SSDOTTSWSA-N 1 2 226.305 0.386 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000342869354 352883712 /nfs/dbraw/zinc/88/37/12/352883712.db2.gz WWZKBLYPFPQEBB-SSDOTTSWSA-N 1 2 226.305 0.386 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000334250619 352886248 /nfs/dbraw/zinc/88/62/48/352886248.db2.gz HWHIUYPLJKPMSP-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO Cc1c(C[N@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000334250619 352886249 /nfs/dbraw/zinc/88/62/49/352886249.db2.gz HWHIUYPLJKPMSP-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2ccccn2)C1 ZINC000334253942 352891342 /nfs/dbraw/zinc/89/13/42/352891342.db2.gz KJAXKSZPSYPYEJ-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2ccccn2)C1 ZINC000334253942 352891347 /nfs/dbraw/zinc/89/13/47/352891347.db2.gz KJAXKSZPSYPYEJ-NSHDSACASA-N 1 2 210.252 0.988 20 0 BCADLO CN(C)c1cccc(C[NH2+]Cc2ncnn2C)n1 ZINC000638801791 352936389 /nfs/dbraw/zinc/93/63/89/352936389.db2.gz KIQDFVKGCDNBES-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@]2(C)CO)c[nH+]1 ZINC000334266295 352901207 /nfs/dbraw/zinc/90/12/07/352901207.db2.gz NKGBUVVDVLUSLN-PWSUYJOCSA-N 1 2 237.303 0.999 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334269083 352905461 /nfs/dbraw/zinc/90/54/61/352905461.db2.gz CQQVPKMFRGUMPX-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(N)=O ZINC000334309635 352941750 /nfs/dbraw/zinc/94/17/50/352941750.db2.gz ISQXMGMGAIRTIA-UHFFFAOYSA-N 1 2 239.319 0.854 20 0 BCADLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(N)=O ZINC000334309635 352941754 /nfs/dbraw/zinc/94/17/54/352941754.db2.gz ISQXMGMGAIRTIA-UHFFFAOYSA-N 1 2 239.319 0.854 20 0 BCADLO CC(C)C1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000334315966 352946805 /nfs/dbraw/zinc/94/68/05/352946805.db2.gz ODEFHFASEPAJRX-SNVBAGLBSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)C1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000334315966 352946808 /nfs/dbraw/zinc/94/68/08/352946808.db2.gz ODEFHFASEPAJRX-SNVBAGLBSA-N 1 2 226.320 0.622 20 0 BCADLO COCCOC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000638843073 353019683 /nfs/dbraw/zinc/01/96/83/353019683.db2.gz LKDRIOXZVXVPER-UHFFFAOYSA-N 1 2 238.287 0.634 20 0 BCADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@@H]1CSC[NH2+]1 ZINC000638857037 353033578 /nfs/dbraw/zinc/03/35/78/353033578.db2.gz XAYOFCSMGLAACN-QMMMGPOBSA-N 1 2 238.316 0.888 20 0 BCADLO O=C(NCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334397051 353070870 /nfs/dbraw/zinc/07/08/70/353070870.db2.gz CKJXZIZWWWZBED-SNVBAGLBSA-N 1 2 219.288 0.972 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1ncc(C)o1 ZINC000638873555 353043947 /nfs/dbraw/zinc/04/39/47/353043947.db2.gz JFJOAJKIVYAWKF-JTQLQIEISA-N 1 2 214.265 0.470 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C12CC(C1)C2 ZINC000626420432 353051487 /nfs/dbraw/zinc/05/14/87/353051487.db2.gz DGKQYSAXCNNHIC-UHFFFAOYSA-N 1 2 219.288 0.879 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334414133 353096783 /nfs/dbraw/zinc/09/67/83/353096783.db2.gz MFRQOANEWXFGHR-LDYMZIIASA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334414133 353096786 /nfs/dbraw/zinc/09/67/86/353096786.db2.gz MFRQOANEWXFGHR-LDYMZIIASA-N 1 2 245.298 0.655 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cnn(C)c1 ZINC000049086981 353159475 /nfs/dbraw/zinc/15/94/75/353159475.db2.gz PPGMSGHKQDGHSV-UHFFFAOYSA-N 1 2 233.275 0.426 20 0 BCADLO CC(C)c1nc(N(CCO)C[C@@H](C)O)cc[nH+]1 ZINC000357589475 188067266 /nfs/dbraw/zinc/06/72/66/188067266.db2.gz BMIUCMLVPDVGJZ-SNVBAGLBSA-N 1 2 239.319 0.780 20 0 BCADLO CC(C)=CCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359193778 188068594 /nfs/dbraw/zinc/06/85/94/188068594.db2.gz OPLBSYBCTVXNFE-SNVBAGLBSA-N 1 2 248.286 0.839 20 0 BCADLO CC(C)=CCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359193778 188068596 /nfs/dbraw/zinc/06/85/96/188068596.db2.gz OPLBSYBCTVXNFE-SNVBAGLBSA-N 1 2 248.286 0.839 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccco1 ZINC000046886459 353148293 /nfs/dbraw/zinc/14/82/93/353148293.db2.gz LWGLXUPUSAMOSA-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202090 188072519 /nfs/dbraw/zinc/07/25/19/188072519.db2.gz MJLPKGLSDWEGOK-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047576882 353152495 /nfs/dbraw/zinc/15/24/95/353152495.db2.gz OIPOMJRXHPISMR-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330568194 353175245 /nfs/dbraw/zinc/17/52/45/353175245.db2.gz LPTJJWDULLWLJK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1nncc1CNc1cc[nH+]cc1F ZINC000308951512 180870530 /nfs/dbraw/zinc/87/05/30/180870530.db2.gz VICFNHDJYGIQFX-UHFFFAOYSA-N 1 2 207.212 0.961 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CCCOC2 ZINC000329458580 538109062 /nfs/dbraw/zinc/10/90/62/538109062.db2.gz OKEHJNIQZPSREL-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330835051 353184963 /nfs/dbraw/zinc/18/49/63/353184963.db2.gz KFBYWPFUFPNNBP-JTQLQIEISA-N 1 2 246.376 0.168 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330835051 353184966 /nfs/dbraw/zinc/18/49/66/353184966.db2.gz KFBYWPFUFPNNBP-JTQLQIEISA-N 1 2 246.376 0.168 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000132570741 188144982 /nfs/dbraw/zinc/14/49/82/188144982.db2.gz VZCQNQHZSLUESH-VXJOIVPMSA-N 1 2 229.349 0.965 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCOC[C@H]1C ZINC000091800559 188145953 /nfs/dbraw/zinc/14/59/53/188145953.db2.gz YRIRMHHQZRJZDL-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCOC[C@H]1C ZINC000091800559 188145955 /nfs/dbraw/zinc/14/59/55/188145955.db2.gz YRIRMHHQZRJZDL-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000091800556 188145880 /nfs/dbraw/zinc/14/58/80/188145880.db2.gz YRIRMHHQZRJZDL-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000091800556 188145881 /nfs/dbraw/zinc/14/58/81/188145881.db2.gz YRIRMHHQZRJZDL-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO CC(=O)NCCCSc1nc(N)cc(C)[nH+]1 ZINC000049064929 188152233 /nfs/dbraw/zinc/15/22/33/188152233.db2.gz LQAAKZUSFDFMBI-UHFFFAOYSA-N 1 2 240.332 0.986 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CCO)C2)[nH]1 ZINC000158302837 538111297 /nfs/dbraw/zinc/11/12/97/538111297.db2.gz KGTZKPYMWGCAGU-JTQLQIEISA-N 1 2 238.335 0.962 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](CCO)C2)[nH]1 ZINC000158302837 538111298 /nfs/dbraw/zinc/11/12/98/538111298.db2.gz KGTZKPYMWGCAGU-JTQLQIEISA-N 1 2 238.335 0.962 20 0 BCADLO CN(C)c1n[nH]c(NCc2[nH]cc[nH+]2)n1 ZINC000308946930 188165636 /nfs/dbraw/zinc/16/56/36/188165636.db2.gz NYRKHYJZUOGSKS-UHFFFAOYSA-N 1 2 207.241 0.206 20 0 BCADLO CN(C)c1nc(NCc2[nH]cc[nH+]2)n[nH]1 ZINC000308946930 188165638 /nfs/dbraw/zinc/16/56/38/188165638.db2.gz NYRKHYJZUOGSKS-UHFFFAOYSA-N 1 2 207.241 0.206 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336675867 188181434 /nfs/dbraw/zinc/18/14/34/188181434.db2.gz AJBNIGSAYYVNOL-GRYCIOLGSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336675867 188181436 /nfs/dbraw/zinc/18/14/36/188181436.db2.gz AJBNIGSAYYVNOL-GRYCIOLGSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)CS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000335923434 188189255 /nfs/dbraw/zinc/18/92/55/188189255.db2.gz VAXOTVDTEXYLFQ-UHFFFAOYSA-N 1 2 246.376 0.752 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338591662 188189841 /nfs/dbraw/zinc/18/98/41/188189841.db2.gz JMOUDMGKPXCEDP-BDAKNGLRSA-N 1 2 242.319 0.585 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000366745153 188217927 /nfs/dbraw/zinc/21/79/27/188217927.db2.gz LXYNKAKGPKWAFB-NSHDSACASA-N 1 2 248.286 0.620 20 0 BCADLO C=Cn1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000366745153 188217928 /nfs/dbraw/zinc/21/79/28/188217928.db2.gz LXYNKAKGPKWAFB-NSHDSACASA-N 1 2 248.286 0.620 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000341818874 188217933 /nfs/dbraw/zinc/21/79/33/188217933.db2.gz JBUYMCUVXJNRIB-MNOVXSKESA-N 1 2 237.303 0.645 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000577858859 366086957 /nfs/dbraw/zinc/08/69/57/366086957.db2.gz ADHMRSCCFVQRBY-LLVKDONJSA-N 1 2 235.291 0.065 20 0 BCADLO CC(C)c1nc(N(C)Cc2nnnn2C)cc[nH+]1 ZINC000342206291 188219013 /nfs/dbraw/zinc/21/90/13/188219013.db2.gz QHPKZSKIEVPFBO-UHFFFAOYSA-N 1 2 247.306 0.760 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCOCC1 ZINC000329605608 188226352 /nfs/dbraw/zinc/22/63/52/188226352.db2.gz HOYVRMPYSLFBTM-UHFFFAOYSA-N 1 2 239.323 0.650 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CCCOCC1 ZINC000329605608 188226354 /nfs/dbraw/zinc/22/63/54/188226354.db2.gz HOYVRMPYSLFBTM-UHFFFAOYSA-N 1 2 239.323 0.650 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@](C)(O)C(C)C)c[nH+]1 ZINC000075116657 353310470 /nfs/dbraw/zinc/31/04/70/353310470.db2.gz DUIYSWAVKPCQGU-NSHDSACASA-N 1 2 225.292 0.855 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1nccc(N)n1 ZINC000135189995 538114879 /nfs/dbraw/zinc/11/48/79/538114879.db2.gz CVDYPKJLXSDSQT-UHFFFAOYSA-N 1 2 237.307 0.015 20 0 BCADLO Cc1oncc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000334501116 353330971 /nfs/dbraw/zinc/33/09/71/353330971.db2.gz GQPZKHFCIFBLGQ-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO Cc1oncc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000334501116 353330975 /nfs/dbraw/zinc/33/09/75/353330975.db2.gz GQPZKHFCIFBLGQ-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO COc1ncc(C[NH2+]C2(C(N)=O)CC2)s1 ZINC000639043316 353326815 /nfs/dbraw/zinc/32/68/15/353326815.db2.gz RZQBCEUVPUMGNG-UHFFFAOYSA-N 1 2 227.289 0.259 20 0 BCADLO CO[C@@H](C[NH2+]CC(F)(F)CO)[C@@H]1CCOC1 ZINC000639055605 353358826 /nfs/dbraw/zinc/35/88/26/353358826.db2.gz VCIAILQMWVUIMK-BDAKNGLRSA-N 1 2 239.262 0.255 20 0 BCADLO C[C@@H](Cc1cnccn1)[NH2+]CC(F)(F)CO ZINC000639055756 353359663 /nfs/dbraw/zinc/35/96/63/353359663.db2.gz YCZOXQXDCJLLQI-QMMMGPOBSA-N 1 2 231.246 0.625 20 0 BCADLO O=C1N=NC2C[N@H+](CCC[C@@H]3CCO3)CCN12 ZINC000639047895 353339433 /nfs/dbraw/zinc/33/94/33/353339433.db2.gz NTWOTFOGDFJWKI-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO O=C1N=NC2C[N@@H+](CCC[C@@H]3CCO3)CCN12 ZINC000639047895 353339436 /nfs/dbraw/zinc/33/94/36/353339436.db2.gz NTWOTFOGDFJWKI-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO O=C1N=NC2C[N@H+](CCC[C@H]3CCO3)CCN12 ZINC000639047896 353340193 /nfs/dbraw/zinc/34/01/93/353340193.db2.gz NTWOTFOGDFJWKI-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO O=C1N=NC2C[N@@H+](CCC[C@H]3CCO3)CCN12 ZINC000639047896 353340195 /nfs/dbraw/zinc/34/01/95/353340195.db2.gz NTWOTFOGDFJWKI-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO CCOCCOCC(=O)NCc1[nH+]ccn1C ZINC000343294281 353377521 /nfs/dbraw/zinc/37/75/21/353377521.db2.gz BDIIICXKZABAHK-UHFFFAOYSA-N 1 2 241.291 0.089 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]1C ZINC000334509492 353419817 /nfs/dbraw/zinc/41/98/17/353419817.db2.gz CDWNYGWHVDOHGV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]1C ZINC000334509492 353419818 /nfs/dbraw/zinc/41/98/18/353419818.db2.gz CDWNYGWHVDOHGV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H](C[S@](C)=O)N(C)c1cc(CO)cc[nH+]1 ZINC000398983373 353419914 /nfs/dbraw/zinc/41/99/14/353419914.db2.gz CAFFTOZBHOJZKI-ABKXIKBNSA-N 1 2 242.344 0.777 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@@H](CO)C1 ZINC000230017538 353420512 /nfs/dbraw/zinc/42/05/12/353420512.db2.gz KHCRSNMSBMZUNQ-GHMZBOCLSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@H](C[S@@](C)=O)N(C)c1cc(CO)cc[nH+]1 ZINC000398983375 353420649 /nfs/dbraw/zinc/42/06/49/353420649.db2.gz CAFFTOZBHOJZKI-JDNHERCYSA-N 1 2 242.344 0.777 20 0 BCADLO CO[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000081462340 353409604 /nfs/dbraw/zinc/40/96/04/353409604.db2.gz WGSVWEMNLRGGFN-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO CC(C)(C)n1cc(C[N@H+](CCO)C2CC2)nn1 ZINC000191230731 353443484 /nfs/dbraw/zinc/44/34/84/353443484.db2.gz CWXHMRLOOLLADM-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+](CCO)C2CC2)nn1 ZINC000191230731 353443486 /nfs/dbraw/zinc/44/34/86/353443486.db2.gz CWXHMRLOOLLADM-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N1CC[C@@H](F)C1 ZINC000334510339 353445578 /nfs/dbraw/zinc/44/55/78/353445578.db2.gz JREGYDOGUDRWEE-SNVBAGLBSA-N 1 2 245.298 0.072 20 0 BCADLO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)C(F)F ZINC000308636147 538117090 /nfs/dbraw/zinc/11/70/90/538117090.db2.gz CKSKAFLTYWYDDQ-BQBZGAKWSA-N 1 2 204.224 0.910 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191785764 353510948 /nfs/dbraw/zinc/51/09/48/353510948.db2.gz ANBKDLZRYWJUPZ-ZJUUUORDSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191785764 353510950 /nfs/dbraw/zinc/51/09/50/353510950.db2.gz ANBKDLZRYWJUPZ-ZJUUUORDSA-N 1 2 243.303 0.681 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000351093022 535235502 /nfs/dbraw/zinc/23/55/02/535235502.db2.gz AHJUYYLQUZHQPX-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000351093022 535235509 /nfs/dbraw/zinc/23/55/09/535235509.db2.gz AHJUYYLQUZHQPX-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CN([C@@H](c2[nH+]ccn2C)C2CC2)CC1=O ZINC000639103579 353581656 /nfs/dbraw/zinc/58/16/56/353581656.db2.gz PTLXKEPQRMDWLO-GFCCVEGCSA-N 1 2 248.330 0.993 20 0 BCADLO Cc1cnc(C[NH2+][C@@]2(CCO)CCOC2)o1 ZINC000639109145 353662321 /nfs/dbraw/zinc/66/23/21/353662321.db2.gz QPQKUHGUAOOKRS-NSHDSACASA-N 1 2 226.276 0.614 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000178192985 366103291 /nfs/dbraw/zinc/10/32/91/366103291.db2.gz JBJWBNKSNYUUGD-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOCC1CC1)C1CC1 ZINC000227769946 363250534 /nfs/dbraw/zinc/25/05/34/363250534.db2.gz UTJWSQNLAUOENE-NSHDSACASA-N 1 2 227.304 0.954 20 0 BCADLO Cc1occc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000178192985 366103294 /nfs/dbraw/zinc/10/32/94/366103294.db2.gz JBJWBNKSNYUUGD-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO CC(C)n1nnnc1C[N@H+](CCO)C1CC1 ZINC000195079869 353719731 /nfs/dbraw/zinc/71/97/31/353719731.db2.gz UIEXIWWYBQDQBV-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](CCO)C1CC1 ZINC000195079869 353719736 /nfs/dbraw/zinc/71/97/36/353719736.db2.gz UIEXIWWYBQDQBV-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CC2)n1C ZINC000195079827 353719901 /nfs/dbraw/zinc/71/99/01/353719901.db2.gz ACZUYLIMTMJMDB-UHFFFAOYSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CC2)n1C ZINC000195079827 353719904 /nfs/dbraw/zinc/71/99/04/353719904.db2.gz ACZUYLIMTMJMDB-UHFFFAOYSA-N 1 2 224.308 0.334 20 0 BCADLO COC[C@@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000308954270 353726352 /nfs/dbraw/zinc/72/63/52/353726352.db2.gz QATIOLMPEVVRAM-IUCAKERBSA-N 1 2 219.281 0.047 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(N)=O ZINC000195518494 353765633 /nfs/dbraw/zinc/76/56/33/353765633.db2.gz SYYIGQAAEVALOD-QMMMGPOBSA-N 1 2 210.281 0.116 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(N)=O ZINC000195518494 353765634 /nfs/dbraw/zinc/76/56/34/353765634.db2.gz SYYIGQAAEVALOD-QMMMGPOBSA-N 1 2 210.281 0.116 20 0 BCADLO Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000343339362 353797043 /nfs/dbraw/zinc/79/70/43/353797043.db2.gz CQCHKFPYZJDSEV-CBAPKCEASA-N 1 2 237.307 0.385 20 0 BCADLO Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000343339362 353797044 /nfs/dbraw/zinc/79/70/44/353797044.db2.gz CQCHKFPYZJDSEV-CBAPKCEASA-N 1 2 237.307 0.385 20 0 BCADLO O=C1NCCC[C@@H]1COc1cc[nH+]cc1 ZINC000577942676 366116118 /nfs/dbraw/zinc/11/61/18/366116118.db2.gz FVXURLRNJLECLX-SECBINFHSA-N 1 2 206.245 0.987 20 0 BCADLO C[C@H](O)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343339753 353802497 /nfs/dbraw/zinc/80/24/97/353802497.db2.gz UNFKROZPVXVWNU-VIFPVBQESA-N 1 2 246.270 0.646 20 0 BCADLO COc1ccc[nH+]c1N(C)CCOCCO ZINC000300991206 363268368 /nfs/dbraw/zinc/26/83/68/363268368.db2.gz GAMRCODMPOQLJH-UHFFFAOYSA-N 1 2 226.276 0.535 20 0 BCADLO CC(C)c1nc(N(C)[C@H]2COC[C@H]2O)cc[nH+]1 ZINC000343590774 353941603 /nfs/dbraw/zinc/94/16/03/353941603.db2.gz MIOJHJDUELQCQI-VHSXEESVSA-N 1 2 237.303 0.796 20 0 BCADLO CC(C)c1nc(N(C)[C@@H]2COC[C@@H]2O)cc[nH+]1 ZINC000343590775 353941777 /nfs/dbraw/zinc/94/17/77/353941777.db2.gz MIOJHJDUELQCQI-ZJUUUORDSA-N 1 2 237.303 0.796 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000343593206 353942630 /nfs/dbraw/zinc/94/26/30/353942630.db2.gz VKFMQAVAAXSZKD-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000343593206 353942634 /nfs/dbraw/zinc/94/26/34/353942634.db2.gz VKFMQAVAAXSZKD-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000343705381 353967535 /nfs/dbraw/zinc/96/75/35/353967535.db2.gz FQHSUQXTJNRHNC-HRDYMLBCSA-N 1 2 241.291 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000343705381 353967536 /nfs/dbraw/zinc/96/75/36/353967536.db2.gz FQHSUQXTJNRHNC-HRDYMLBCSA-N 1 2 241.291 0.590 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000334543453 353978895 /nfs/dbraw/zinc/97/88/95/353978895.db2.gz PWBZGXWTUJZCDR-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000334543453 353978896 /nfs/dbraw/zinc/97/88/96/353978896.db2.gz PWBZGXWTUJZCDR-GFCCVEGCSA-N 1 2 231.299 0.888 20 0 BCADLO C[C@H]1CC[C@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348711289 366129993 /nfs/dbraw/zinc/12/99/93/366129993.db2.gz XVHSPCREVFIIIM-UJNFCWOMSA-N 1 2 248.286 0.671 20 0 BCADLO C[C@H]1CC[C@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348711289 366129999 /nfs/dbraw/zinc/12/99/99/366129999.db2.gz XVHSPCREVFIIIM-UJNFCWOMSA-N 1 2 248.286 0.671 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1CCN1CCCCC1 ZINC000343719588 353957920 /nfs/dbraw/zinc/95/79/20/353957920.db2.gz DZAJYASITHCFCP-LBPRGKRZSA-N 1 2 244.404 0.882 20 0 BCADLO OC[C@H]1CSCC[N@H+]1CCN1CCCCC1 ZINC000343719588 353957921 /nfs/dbraw/zinc/95/79/21/353957921.db2.gz DZAJYASITHCFCP-LBPRGKRZSA-N 1 2 244.404 0.882 20 0 BCADLO CCCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000343720775 353958465 /nfs/dbraw/zinc/95/84/65/353958465.db2.gz JZWWZBUMRBZUNK-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCCN(CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000343720775 353958466 /nfs/dbraw/zinc/95/84/66/353958466.db2.gz JZWWZBUMRBZUNK-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCCC1=O ZINC000343720613 353958499 /nfs/dbraw/zinc/95/84/99/353958499.db2.gz SVTRJSBXNHNHFR-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCCC1=O ZINC000343720613 353958501 /nfs/dbraw/zinc/95/85/01/353958501.db2.gz SVTRJSBXNHNHFR-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cncs1 ZINC000334553807 353996568 /nfs/dbraw/zinc/99/65/68/353996568.db2.gz CXOAMQLSPDAGRG-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cncs1 ZINC000334553807 353996573 /nfs/dbraw/zinc/99/65/73/353996573.db2.gz CXOAMQLSPDAGRG-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1cncnc1 ZINC000343869404 354027556 /nfs/dbraw/zinc/02/75/56/354027556.db2.gz VBRPRDNLTPJVHU-UHFFFAOYSA-N 1 2 218.220 0.521 20 0 BCADLO O=C1NCC[N@@H+](CCO)[C@@H]1Cc1ccccc1 ZINC000343923756 354043143 /nfs/dbraw/zinc/04/31/43/354043143.db2.gz LDUWEKHVYHGULV-GFCCVEGCSA-N 1 2 234.299 0.022 20 0 BCADLO O=C1NCC[N@H+](CCO)[C@@H]1Cc1ccccc1 ZINC000343923756 354043146 /nfs/dbraw/zinc/04/31/46/354043146.db2.gz LDUWEKHVYHGULV-GFCCVEGCSA-N 1 2 234.299 0.022 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@@H]1Cc1ccccc1 ZINC000343905725 354035960 /nfs/dbraw/zinc/03/59/60/354035960.db2.gz KLNNZKSDGVFNKW-CYBMUJFWSA-N 1 2 248.326 0.412 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@@H]1Cc1ccccc1 ZINC000343905725 354035962 /nfs/dbraw/zinc/03/59/62/354035962.db2.gz KLNNZKSDGVFNKW-CYBMUJFWSA-N 1 2 248.326 0.412 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1O ZINC000230267470 363301321 /nfs/dbraw/zinc/30/13/21/363301321.db2.gz UTFQJJQCOIJMJJ-UWVGGRQHSA-N 1 2 207.277 0.679 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1O ZINC000230267470 363301326 /nfs/dbraw/zinc/30/13/26/363301326.db2.gz UTFQJJQCOIJMJJ-UWVGGRQHSA-N 1 2 207.277 0.679 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000053456915 363302808 /nfs/dbraw/zinc/30/28/08/363302808.db2.gz OLOVFOHHJQAGQR-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000053456915 363302812 /nfs/dbraw/zinc/30/28/12/363302812.db2.gz OLOVFOHHJQAGQR-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCc1ccccn1 ZINC000344025084 354086453 /nfs/dbraw/zinc/08/64/53/354086453.db2.gz WJMOLNLLDNXORC-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO COc1cncc(C[N@H+](C)CC(N)=O)c1 ZINC000343975680 354056056 /nfs/dbraw/zinc/05/60/56/354056056.db2.gz JDMHEFKNHKBCMY-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1cncc(C[N@@H+](C)CC(N)=O)c1 ZINC000343975680 354056059 /nfs/dbraw/zinc/05/60/59/354056059.db2.gz JDMHEFKNHKBCMY-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344076935 354134355 /nfs/dbraw/zinc/13/43/55/354134355.db2.gz WHEWZJUPVKHRNL-QMMMGPOBSA-N 1 2 240.307 0.461 20 0 BCADLO CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000334569607 354095580 /nfs/dbraw/zinc/09/55/80/354095580.db2.gz VWPRTPCZXZTCFC-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO CCC(=O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000344036634 354101836 /nfs/dbraw/zinc/10/18/36/354101836.db2.gz DRWMQUIPSIIFCQ-UHFFFAOYSA-N 1 2 239.275 0.445 20 0 BCADLO C[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000334562304 354118053 /nfs/dbraw/zinc/11/80/53/354118053.db2.gz KKLJFHHRUBDDMD-WPRPVWTQSA-N 1 2 240.328 0.602 20 0 BCADLO C[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000334562304 354118054 /nfs/dbraw/zinc/11/80/54/354118054.db2.gz KKLJFHHRUBDDMD-WPRPVWTQSA-N 1 2 240.328 0.602 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000344180360 354175449 /nfs/dbraw/zinc/17/54/49/354175449.db2.gz AHLFBARPJPYIIX-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231041097 363337223 /nfs/dbraw/zinc/33/72/23/363337223.db2.gz FRPLXDWSHYSRRM-NXEZZACHSA-N 1 2 217.309 0.935 20 0 BCADLO Cn1ccc(CCC(=O)Nc2cc[nH+]cc2O)n1 ZINC000344117212 354142340 /nfs/dbraw/zinc/14/23/40/354142340.db2.gz AYLDWNNMPPQXPQ-UHFFFAOYSA-N 1 2 246.270 0.514 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@@H]1CCOC1 ZINC000231345594 363342064 /nfs/dbraw/zinc/34/20/64/363342064.db2.gz SLFLOXGGDKKTIC-QMMMGPOBSA-N 1 2 209.236 0.582 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCOC1 ZINC000231345594 363342066 /nfs/dbraw/zinc/34/20/66/363342066.db2.gz SLFLOXGGDKKTIC-QMMMGPOBSA-N 1 2 209.236 0.582 20 0 BCADLO Cc1nn(C)cc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000334585588 354209001 /nfs/dbraw/zinc/20/90/01/354209001.db2.gz LTYWCGPRXJEHJJ-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CC(=O)NC1C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC000639180175 354266245 /nfs/dbraw/zinc/26/62/45/354266245.db2.gz KHHSSGIXOVBHBT-UHFFFAOYSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccns1 ZINC000639178465 354254564 /nfs/dbraw/zinc/25/45/64/354254564.db2.gz JINIWDLIWWZHMY-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccns1 ZINC000639178465 354254567 /nfs/dbraw/zinc/25/45/67/354254567.db2.gz JINIWDLIWWZHMY-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO CC(=O)C1(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000336511681 188590654 /nfs/dbraw/zinc/59/06/54/188590654.db2.gz PYHREFSQMOYJTQ-UHFFFAOYSA-N 1 2 236.315 0.662 20 0 BCADLO NC(=O)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344454561 354263147 /nfs/dbraw/zinc/26/31/47/354263147.db2.gz HSZUUIFXLBARRE-UHFFFAOYSA-N 1 2 244.254 0.686 20 0 BCADLO CC(=O)NC1C[NH+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639180141 354263543 /nfs/dbraw/zinc/26/35/43/354263543.db2.gz JSQYIOIHFLQERY-VIFPVBQESA-N 1 2 248.330 0.975 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000334593979 354225733 /nfs/dbraw/zinc/22/57/33/354225733.db2.gz CPBZKCLUZDLXJD-LLVKDONJSA-N 1 2 244.298 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C)(CC)C1 ZINC000334604309 354284969 /nfs/dbraw/zinc/28/49/69/354284969.db2.gz ZFJKYCOJASHCNL-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C)(CC)C1 ZINC000334604309 354284971 /nfs/dbraw/zinc/28/49/71/354284971.db2.gz ZFJKYCOJASHCNL-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CCCCF)CC1 ZINC000344584929 354310850 /nfs/dbraw/zinc/31/08/50/354310850.db2.gz WOQGOODMJBUPCC-UHFFFAOYSA-N 1 2 238.328 0.313 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000639179274 354271154 /nfs/dbraw/zinc/27/11/54/354271154.db2.gz CZMFACQOWNQFGT-UHFFFAOYSA-N 1 2 234.299 0.499 20 0 BCADLO CCC[C@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000344444562 354275179 /nfs/dbraw/zinc/27/51/79/354275179.db2.gz YUTCKGCEVYAITL-LLVKDONJSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc(N2CCC(=O)CC2)nc(N(C)C)[nH+]1 ZINC000344520658 354275691 /nfs/dbraw/zinc/27/56/91/354275691.db2.gz QAXUVBBZDOBONJ-UHFFFAOYSA-N 1 2 235.291 0.415 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC(=O)CC2)[nH+]1 ZINC000344520658 354275695 /nfs/dbraw/zinc/27/56/95/354275695.db2.gz QAXUVBBZDOBONJ-UHFFFAOYSA-N 1 2 235.291 0.415 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000577985846 366159892 /nfs/dbraw/zinc/15/98/92/366159892.db2.gz NVLPRLKTQFSYMP-LLVKDONJSA-N 1 2 249.314 0.888 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000577985846 366159897 /nfs/dbraw/zinc/15/98/97/366159897.db2.gz NVLPRLKTQFSYMP-LLVKDONJSA-N 1 2 249.314 0.888 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)[C@H](C)N(C)C1=O ZINC000349314523 366175267 /nfs/dbraw/zinc/17/52/67/366175267.db2.gz DWEJRICERBZLPA-QMMMGPOBSA-N 1 2 249.270 0.873 20 0 BCADLO CC(=O)N1CC[N@@H+](CC(=O)NC(C)C)[C@H](C)C1 ZINC000334630316 354372817 /nfs/dbraw/zinc/37/28/17/354372817.db2.gz POKLTMCJAHIPFD-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(=O)N1CC[N@H+](CC(=O)NC(C)C)[C@H](C)C1 ZINC000334630316 354372821 /nfs/dbraw/zinc/37/28/21/354372821.db2.gz POKLTMCJAHIPFD-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)(O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185886369 535260333 /nfs/dbraw/zinc/26/03/33/535260333.db2.gz HAKYDOGADYEVKY-SNVBAGLBSA-N 1 2 249.314 0.547 20 0 BCADLO O=C([C@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000334641698 354398075 /nfs/dbraw/zinc/39/80/75/354398075.db2.gz HBAPSCBXSBZCLO-SNVBAGLBSA-N 1 2 235.287 0.794 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@@H]2CO)C1 ZINC000578025534 366191028 /nfs/dbraw/zinc/19/10/28/366191028.db2.gz WEMOZIYWJIFJOQ-GHMZBOCLSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CCN(C(=O)C(=O)c2cccn2C)CC1 ZINC000334692120 354481567 /nfs/dbraw/zinc/48/15/67/354481567.db2.gz MQLZNYLKFAKMTF-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC23CCC3)nc1=O ZINC000334706978 354500909 /nfs/dbraw/zinc/50/09/09/354500909.db2.gz AAKLPHCATMBZGQ-UHFFFAOYSA-N 1 2 208.265 0.237 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC23CCC3)nc1=O ZINC000334706978 354500914 /nfs/dbraw/zinc/50/09/14/354500914.db2.gz AAKLPHCATMBZGQ-UHFFFAOYSA-N 1 2 208.265 0.237 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)NCC[NH+]1CCOCC1 ZINC000334707318 354501504 /nfs/dbraw/zinc/50/15/04/354501504.db2.gz ZQGNSQAXUYPXLJ-WDEREUQCSA-N 1 2 241.335 0.368 20 0 BCADLO CCn1nccc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334711141 354507824 /nfs/dbraw/zinc/50/78/24/354507824.db2.gz XEJDSLLCUIXWEF-LLVKDONJSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1nccc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334711141 354507825 /nfs/dbraw/zinc/50/78/25/354507825.db2.gz XEJDSLLCUIXWEF-LLVKDONJSA-N 1 2 248.330 0.710 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000335093438 354629964 /nfs/dbraw/zinc/62/99/64/354629964.db2.gz OWRMYNAYQDSHTP-XCBNKYQSSA-N 1 2 211.240 0.784 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H](C)CO)C(=O)OC ZINC000120996227 354638338 /nfs/dbraw/zinc/63/83/38/354638338.db2.gz VWGGAJYDLRUKLY-KOLCDFICSA-N 1 2 217.309 0.936 20 0 BCADLO CCOCCC(=O)Nc1cc[nH+]cc1O ZINC000345371743 354641756 /nfs/dbraw/zinc/64/17/56/354641756.db2.gz HPANTEFEUQYMLX-UHFFFAOYSA-N 1 2 210.233 0.574 20 0 BCADLO CCOCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345391635 354648552 /nfs/dbraw/zinc/64/85/52/354648552.db2.gz DBONVCZIOBXWQR-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345394740 354648761 /nfs/dbraw/zinc/64/87/61/354648761.db2.gz VDZCEBVDQGCVNZ-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC1 ZINC000345412779 354651979 /nfs/dbraw/zinc/65/19/79/354651979.db2.gz VGFRLXQNORPBSD-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO CSCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345372838 354656117 /nfs/dbraw/zinc/65/61/17/354656117.db2.gz BQIDJNYNTZRCLE-SNVBAGLBSA-N 1 2 246.376 0.529 20 0 BCADLO c1[nH+]c(CN2CCO[C@@H]3C[C@@H]32)cc2c1OCCO2 ZINC000639201903 354606358 /nfs/dbraw/zinc/60/63/58/354606358.db2.gz OYOHKRDKMAJVAG-WDEREUQCSA-N 1 2 248.282 0.826 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cscn1 ZINC000335109870 354696127 /nfs/dbraw/zinc/69/61/27/354696127.db2.gz SEPXZRNBGITZSB-ZJUUUORDSA-N 1 2 237.328 0.996 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cscn1 ZINC000335109870 354696129 /nfs/dbraw/zinc/69/61/29/354696129.db2.gz SEPXZRNBGITZSB-ZJUUUORDSA-N 1 2 237.328 0.996 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345686723 354732247 /nfs/dbraw/zinc/73/22/47/354732247.db2.gz GGSAUDJLAUSSAC-SFYZADRCSA-N 1 2 236.262 0.213 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000335116088 354705404 /nfs/dbraw/zinc/70/54/04/354705404.db2.gz JKHGBKWSPDNUSI-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000335116088 354705407 /nfs/dbraw/zinc/70/54/07/354705407.db2.gz JKHGBKWSPDNUSI-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO C[NH+]1CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000335100169 354709308 /nfs/dbraw/zinc/70/93/08/354709308.db2.gz MFQBOBGABYAKSW-LBPRGKRZSA-N 1 2 226.320 0.720 20 0 BCADLO COCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000345625186 354717202 /nfs/dbraw/zinc/71/72/02/354717202.db2.gz HAHVFNHLBHYDFD-UHFFFAOYSA-N 1 2 211.265 0.413 20 0 BCADLO COCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000345625186 354717204 /nfs/dbraw/zinc/71/72/04/354717204.db2.gz HAHVFNHLBHYDFD-UHFFFAOYSA-N 1 2 211.265 0.413 20 0 BCADLO CC[C@@H](COC)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345746071 354750381 /nfs/dbraw/zinc/75/03/81/354750381.db2.gz VEUNOOGJFCOTOJ-YUMQZZPRSA-N 1 2 236.262 0.525 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]1C(F)F ZINC000345772644 354758241 /nfs/dbraw/zinc/75/82/41/354758241.db2.gz AKNGKEHGFXLUAG-HRDYMLBCSA-N 1 2 248.273 0.477 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]1C(F)F ZINC000345772644 354758242 /nfs/dbraw/zinc/75/82/42/354758242.db2.gz AKNGKEHGFXLUAG-HRDYMLBCSA-N 1 2 248.273 0.477 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000345815180 354783990 /nfs/dbraw/zinc/78/39/90/354783990.db2.gz SNQDPYSCSAPXSY-BDAKNGLRSA-N 1 2 223.276 0.117 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC1 ZINC000345819392 354787918 /nfs/dbraw/zinc/78/79/18/354787918.db2.gz PQGVISBMANTRPW-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CN(C)c1nccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000345714678 354741878 /nfs/dbraw/zinc/74/18/78/354741878.db2.gz YQMXYCIPZMYWLN-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000345911236 354805925 /nfs/dbraw/zinc/80/59/25/354805925.db2.gz SUZFOZXZAWZDBZ-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000345911236 354805930 /nfs/dbraw/zinc/80/59/30/354805930.db2.gz SUZFOZXZAWZDBZ-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CC[C@H](NCc1c[nH+]c(N)nc1N)C(F)F ZINC000639214994 354810771 /nfs/dbraw/zinc/81/07/71/354810771.db2.gz UWVPITICYUKXNV-LURJTMIESA-N 1 2 231.250 0.435 20 0 BCADLO Cn1ccc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000345961630 354821896 /nfs/dbraw/zinc/82/18/96/354821896.db2.gz OMUMHSXPJHXVKA-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO C[C@H](O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000345968551 354823308 /nfs/dbraw/zinc/82/33/08/354823308.db2.gz SCAHAWCPEXDOCK-JTQLQIEISA-N 1 2 245.282 0.869 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000346031246 354831500 /nfs/dbraw/zinc/83/15/00/354831500.db2.gz MNAGSMGWIOSLTK-NSHDSACASA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000346031246 354831503 /nfs/dbraw/zinc/83/15/03/354831503.db2.gz MNAGSMGWIOSLTK-NSHDSACASA-N 1 2 245.319 0.410 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)O ZINC000234294040 363420230 /nfs/dbraw/zinc/42/02/30/363420230.db2.gz ZLFCSDKSJZGPKE-UHFFFAOYSA-N 1 2 211.265 0.149 20 0 BCADLO CCn1cc[nH+]c1CN1CC[S@](=O)[C@H](C)C1 ZINC000335944792 134019647 /nfs/dbraw/zinc/01/96/47/134019647.db2.gz LFPMAEFHTRRMBV-HWPZZCPQSA-N 1 2 241.360 0.856 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000234565492 363424856 /nfs/dbraw/zinc/42/48/56/363424856.db2.gz FFLKCHJTMJSBLH-NXEZZACHSA-N 1 2 215.293 0.545 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000233987843 363411671 /nfs/dbraw/zinc/41/16/71/363411671.db2.gz ZEMBNXCSNRWMKK-SNVBAGLBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000233987843 363411677 /nfs/dbraw/zinc/41/16/77/363411677.db2.gz ZEMBNXCSNRWMKK-SNVBAGLBSA-N 1 2 211.265 0.841 20 0 BCADLO C[C@@H](CC(N)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235173279 363438504 /nfs/dbraw/zinc/43/85/04/363438504.db2.gz AHIQNSSOGWJZCE-BYPYZUCNSA-N 1 2 229.671 0.388 20 0 BCADLO C[C@@H](CC(N)=O)Nc1[nH+]cnc(N)c1Cl ZINC000235173279 363438508 /nfs/dbraw/zinc/43/85/08/363438508.db2.gz AHIQNSSOGWJZCE-BYPYZUCNSA-N 1 2 229.671 0.388 20 0 BCADLO COc1cc[nH+]c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000346352608 354888339 /nfs/dbraw/zinc/88/83/39/354888339.db2.gz FRCAGPMAUOFUHI-KOLCDFICSA-N 1 2 240.278 0.995 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[C@@H](C)O ZINC000346382362 354905662 /nfs/dbraw/zinc/90/56/62/354905662.db2.gz USSSVXMGLLNCEE-RKDXNWHRSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)C[C@@H](C)O ZINC000346382362 354905663 /nfs/dbraw/zinc/90/56/63/354905663.db2.gz USSSVXMGLLNCEE-RKDXNWHRSA-N 1 2 239.319 0.784 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000346392093 354908783 /nfs/dbraw/zinc/90/87/83/354908783.db2.gz ZOXFBDBQTDWYJM-ONGXEEELSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000346392093 354908786 /nfs/dbraw/zinc/90/87/86/354908786.db2.gz ZOXFBDBQTDWYJM-ONGXEEELSA-N 1 2 240.278 0.995 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC(C)(C)CO ZINC000639222054 354917919 /nfs/dbraw/zinc/91/79/19/354917919.db2.gz HUVKIWOMKUDPED-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC(C)(C)CO ZINC000639222054 354917923 /nfs/dbraw/zinc/91/79/23/354917923.db2.gz HUVKIWOMKUDPED-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234855653 363433416 /nfs/dbraw/zinc/43/34/16/363433416.db2.gz WLEZHWWDHZSPEZ-JGVFFNPUSA-N 1 2 201.266 0.563 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+][C@H]1[C@H]1CCOC1 ZINC000335162163 354914364 /nfs/dbraw/zinc/91/43/64/354914364.db2.gz PLJITBSUAZJDKA-DTWKUNHWSA-N 1 2 212.293 0.579 20 0 BCADLO CCN1C(=O)C(C)(C)[NH2+][C@@H]1[C@H]1CCOC1 ZINC000335162164 354914810 /nfs/dbraw/zinc/91/48/10/354914810.db2.gz PLJITBSUAZJDKA-IUCAKERBSA-N 1 2 212.293 0.579 20 0 BCADLO CCN(CCC1CC1)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346429820 354930630 /nfs/dbraw/zinc/93/06/30/354930630.db2.gz WVDIYFBIJVWFAS-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CCC1CC1)C(=O)[C@@H]1COCC[N@H+]1C ZINC000346429820 354930634 /nfs/dbraw/zinc/93/06/34/354930634.db2.gz WVDIYFBIJVWFAS-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)C[N@H+](CCOCC(F)F)C1CC1 ZINC000346435533 354934640 /nfs/dbraw/zinc/93/46/40/354934640.db2.gz MZYDCXPYBVEMRS-UHFFFAOYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)C[N@@H+](CCOCC(F)F)C1CC1 ZINC000346435533 354934646 /nfs/dbraw/zinc/93/46/46/354934646.db2.gz MZYDCXPYBVEMRS-UHFFFAOYSA-N 1 2 237.246 0.906 20 0 BCADLO CC/C=C\CC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000346517709 354973602 /nfs/dbraw/zinc/97/36/02/354973602.db2.gz ZPCJJPIIFGIYCG-KWKBKKAHSA-N 1 2 226.320 0.917 20 0 BCADLO CC/C=C\CC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000346517709 354973606 /nfs/dbraw/zinc/97/36/06/354973606.db2.gz ZPCJJPIIFGIYCG-KWKBKKAHSA-N 1 2 226.320 0.917 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335207541 355043749 /nfs/dbraw/zinc/04/37/49/355043749.db2.gz WDIXIOMLOXQTJG-DTWKUNHWSA-N 1 2 215.272 0.444 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335207541 355043754 /nfs/dbraw/zinc/04/37/54/355043754.db2.gz WDIXIOMLOXQTJG-DTWKUNHWSA-N 1 2 215.272 0.444 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000346859204 355118644 /nfs/dbraw/zinc/11/86/44/355118644.db2.gz WMRKUYCCMCFYOD-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCCO[C@@H](C)C1 ZINC000346859204 355118646 /nfs/dbraw/zinc/11/86/46/355118646.db2.gz WMRKUYCCMCFYOD-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccco1 ZINC000335246169 355160670 /nfs/dbraw/zinc/16/06/70/355160670.db2.gz OLAMQNAHUOGLLO-SECBINFHSA-N 1 2 244.316 0.604 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccco1 ZINC000335246169 355160673 /nfs/dbraw/zinc/16/06/73/355160673.db2.gz OLAMQNAHUOGLLO-SECBINFHSA-N 1 2 244.316 0.604 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1nncn1C ZINC000346833499 355129814 /nfs/dbraw/zinc/12/98/14/355129814.db2.gz QKQDTNVPEXNHHX-SECBINFHSA-N 1 2 240.307 0.761 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1nncn1C ZINC000346833499 355129816 /nfs/dbraw/zinc/12/98/16/355129816.db2.gz QKQDTNVPEXNHHX-SECBINFHSA-N 1 2 240.307 0.761 20 0 BCADLO CC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346840541 355133634 /nfs/dbraw/zinc/13/36/34/355133634.db2.gz GGZHHCSEXUBWCN-MRVPVSSYSA-N 1 2 211.265 0.148 20 0 BCADLO CC[C@H](CO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346840541 355133638 /nfs/dbraw/zinc/13/36/38/355133638.db2.gz GGZHHCSEXUBWCN-MRVPVSSYSA-N 1 2 211.265 0.148 20 0 BCADLO CC[C@@H](NC(=O)c1cnnn1CC)c1[nH]cc[nH+]1 ZINC000346907139 355149947 /nfs/dbraw/zinc/14/99/47/355149947.db2.gz NATDKXUNKPBEST-MRVPVSSYSA-N 1 2 248.290 0.902 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)nc1 ZINC000346961857 355170717 /nfs/dbraw/zinc/17/07/17/355170717.db2.gz ABUIXNIARYOIBP-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)nc1 ZINC000346961857 355170720 /nfs/dbraw/zinc/17/07/20/355170720.db2.gz ABUIXNIARYOIBP-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H]1C[N@H+](CCOCC(F)F)C[C@@H](CO)O1 ZINC000346991010 355190349 /nfs/dbraw/zinc/19/03/49/355190349.db2.gz SMVWCUDEVGIFCF-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC(F)F)C[C@@H](CO)O1 ZINC000346991010 355190350 /nfs/dbraw/zinc/19/03/50/355190350.db2.gz SMVWCUDEVGIFCF-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO O=C(CCCCc1c[nH]nn1)NCc1[nH]cc[nH+]1 ZINC000346991958 355190396 /nfs/dbraw/zinc/19/03/96/355190396.db2.gz RPSYWRKFGZGBOF-UHFFFAOYSA-N 1 2 248.290 0.557 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC000347628407 355240387 /nfs/dbraw/zinc/24/03/87/355240387.db2.gz MMACKQOXVWKRAI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC000347628407 355240390 /nfs/dbraw/zinc/24/03/90/355240390.db2.gz MMACKQOXVWKRAI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC(C)C ZINC000347670155 355259070 /nfs/dbraw/zinc/25/90/70/355259070.db2.gz PSKCHUYPJUWBIS-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC(C)C ZINC000347670155 355259071 /nfs/dbraw/zinc/25/90/71/355259071.db2.gz PSKCHUYPJUWBIS-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO Cc1cc(N2CCO[C@H](CF)C2)nc[nH+]1 ZINC000413479224 191386973 /nfs/dbraw/zinc/38/69/73/191386973.db2.gz SJTZBXWDAATYPQ-SECBINFHSA-N 1 2 211.240 0.960 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000347680102 355266049 /nfs/dbraw/zinc/26/60/49/355266049.db2.gz XEUXXKCVHIVIKD-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000347680102 355266052 /nfs/dbraw/zinc/26/60/52/355266052.db2.gz XEUXXKCVHIVIKD-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](CO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413198101 191362785 /nfs/dbraw/zinc/36/27/85/191362785.db2.gz HCERVYOOBZNFFY-QMMMGPOBSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@@H](CO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413198101 191362788 /nfs/dbraw/zinc/36/27/88/191362788.db2.gz HCERVYOOBZNFFY-QMMMGPOBSA-N 1 2 222.292 0.868 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2CCOC2)nc[nH+]1 ZINC000413213077 191364310 /nfs/dbraw/zinc/36/43/10/191364310.db2.gz ZEGUHMXFVFLICP-BDAKNGLRSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2CCOC2)[nH+]cn1 ZINC000413213077 191364312 /nfs/dbraw/zinc/36/43/12/191364312.db2.gz ZEGUHMXFVFLICP-BDAKNGLRSA-N 1 2 238.291 0.470 20 0 BCADLO C[C@@H](O)CNc1cc(N2CC[C@H](F)C2)nc[nH+]1 ZINC000413322846 191372834 /nfs/dbraw/zinc/37/28/34/191372834.db2.gz HOKXEMZRNINZHY-BDAKNGLRSA-N 1 2 240.282 0.818 20 0 BCADLO C[C@@H](O)CNc1cc(N2CC[C@H](F)C2)[nH+]cn1 ZINC000413322846 191372836 /nfs/dbraw/zinc/37/28/36/191372836.db2.gz HOKXEMZRNINZHY-BDAKNGLRSA-N 1 2 240.282 0.818 20 0 BCADLO CC1(O)CN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000639253874 355292944 /nfs/dbraw/zinc/29/29/44/355292944.db2.gz STKPVIRTHXNOOX-UHFFFAOYSA-N 1 2 236.271 0.419 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2ncc(C)o2)CC1=O ZINC000639249119 355280069 /nfs/dbraw/zinc/28/00/69/355280069.db2.gz XNBAXDJXDYHKBU-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757685 355393373 /nfs/dbraw/zinc/39/33/73/355393373.db2.gz JKIFYDJOSGJCFB-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757685 355393374 /nfs/dbraw/zinc/39/33/74/355393374.db2.gz JKIFYDJOSGJCFB-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000639275964 355352081 /nfs/dbraw/zinc/35/20/81/355352081.db2.gz KVHPBDFWGPSXPC-SNVBAGLBSA-N 1 2 236.319 0.695 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000639275964 355352085 /nfs/dbraw/zinc/35/20/85/355352085.db2.gz KVHPBDFWGPSXPC-SNVBAGLBSA-N 1 2 236.319 0.695 20 0 BCADLO C[C@H]1C(=O)N(C)CN1[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639289004 355407534 /nfs/dbraw/zinc/40/75/34/355407534.db2.gz VJTHWYZWGSRWBM-ONGXEEELSA-N 1 2 248.330 0.991 20 0 BCADLO C[C@H]1CC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000349680963 355409766 /nfs/dbraw/zinc/40/97/66/355409766.db2.gz TURGEAXTMIBKNS-WDEREUQCSA-N 1 2 241.335 0.416 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)NCc1[nH+]ccn1C ZINC000349734410 355426014 /nfs/dbraw/zinc/42/60/14/355426014.db2.gz LYYKPJVGHIQAKM-DTWKUNHWSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782928 355430512 /nfs/dbraw/zinc/43/05/12/355430512.db2.gz CEXFUODVJAWQQX-GHMZBOCLSA-N 1 2 248.330 0.725 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782928 355430515 /nfs/dbraw/zinc/43/05/15/355430515.db2.gz CEXFUODVJAWQQX-GHMZBOCLSA-N 1 2 248.330 0.725 20 0 BCADLO Cc1cccn2c(CN(C)CC(N)=O)c[nH+]c12 ZINC000349818674 355469425 /nfs/dbraw/zinc/46/94/25/355469425.db2.gz LEFNUQIUKVWVCZ-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO COC(=O)c1cnoc1COCc1[nH]cc[nH+]1 ZINC000349818172 355469586 /nfs/dbraw/zinc/46/95/86/355469586.db2.gz HCCBLVPIEPHHCY-UHFFFAOYSA-N 1 2 237.215 0.901 20 0 BCADLO CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000335801797 355471039 /nfs/dbraw/zinc/47/10/39/355471039.db2.gz ZOCKZOYMLLYUEW-UHFFFAOYSA-N 1 2 227.308 0.122 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC(C)(C)C ZINC000335807915 355481215 /nfs/dbraw/zinc/48/12/15/355481215.db2.gz MXUSDKQQLZARGN-JTQLQIEISA-N 1 2 248.392 0.998 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC(C)(C)C ZINC000335807915 355481216 /nfs/dbraw/zinc/48/12/16/355481216.db2.gz MXUSDKQQLZARGN-JTQLQIEISA-N 1 2 248.392 0.998 20 0 BCADLO O=S1CC[NH+](CCc2cccnc2)CC1 ZINC000335808375 355481909 /nfs/dbraw/zinc/48/19/09/355481909.db2.gz MWYOFXWVHFOWHK-UHFFFAOYSA-N 1 2 224.329 0.688 20 0 BCADLO O=C1N=NC2C[N@H+](C[C@@H]3CCSC3)CCN12 ZINC000335828444 355555126 /nfs/dbraw/zinc/55/51/26/355555126.db2.gz SFSDFWIASRBVKZ-QMMMGPOBSA-N 1 2 240.332 0.552 20 0 BCADLO O=C1N=NC2C[N@@H+](C[C@@H]3CCSC3)CCN12 ZINC000335828444 355555127 /nfs/dbraw/zinc/55/51/27/355555127.db2.gz SFSDFWIASRBVKZ-QMMMGPOBSA-N 1 2 240.332 0.552 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CCSC1)C2 ZINC000335828444 355555128 /nfs/dbraw/zinc/55/51/28/355555128.db2.gz SFSDFWIASRBVKZ-QMMMGPOBSA-N 1 2 240.332 0.552 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CCSC1)C2 ZINC000335828444 355555129 /nfs/dbraw/zinc/55/51/29/355555129.db2.gz SFSDFWIASRBVKZ-QMMMGPOBSA-N 1 2 240.332 0.552 20 0 BCADLO CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335830797 355557847 /nfs/dbraw/zinc/55/78/47/355557847.db2.gz XBKWMKKZMYCCSM-SECBINFHSA-N 1 2 222.292 0.907 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](O)C1(C)C ZINC000335817497 355508749 /nfs/dbraw/zinc/50/87/49/355508749.db2.gz WOTTWHBXBOAGKS-JTQLQIEISA-N 1 2 237.303 0.632 20 0 BCADLO CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000335852656 355596611 /nfs/dbraw/zinc/59/66/11/355596611.db2.gz FQNXVIXPJJVQJJ-UHFFFAOYSA-N 1 2 228.296 0.257 20 0 BCADLO [NH3+][C@@H](C(=O)NCC(F)(F)F)c1cscn1 ZINC000583559123 355610197 /nfs/dbraw/zinc/61/01/97/355610197.db2.gz BMZGYMWRSSDCMA-RXMQYKEDSA-N 1 2 239.222 0.821 20 0 BCADLO CN(C)c1cccnc1C[NH2+]Cc1cnnn1C ZINC000353242752 355612492 /nfs/dbraw/zinc/61/24/92/355612492.db2.gz OKBWGNXULURCSJ-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000639302469 355647757 /nfs/dbraw/zinc/64/77/57/355647757.db2.gz GAXMULHZZUOZJB-VIFPVBQESA-N 1 2 231.255 0.806 20 0 BCADLO Cc1nccc(C[N@@H+](C)CC(=O)NC(C)C)n1 ZINC000350314672 355670078 /nfs/dbraw/zinc/67/00/78/355670078.db2.gz ODWFQOYYFFDICU-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1nccc(C[N@H+](C)CC(=O)NC(C)C)n1 ZINC000350314672 355670080 /nfs/dbraw/zinc/67/00/80/355670080.db2.gz ODWFQOYYFFDICU-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO NC(=O)[C@H]1COCC[N@@H+]1CCC1(O)CC1 ZINC000332021098 181205766 /nfs/dbraw/zinc/20/57/66/181205766.db2.gz VPDRIASOBLJADX-MRVPVSSYSA-N 1 2 214.265 0.137 20 0 BCADLO NC(=O)[C@H]1COCC[N@H+]1CCC1(O)CC1 ZINC000332021098 181205768 /nfs/dbraw/zinc/20/57/68/181205768.db2.gz VPDRIASOBLJADX-MRVPVSSYSA-N 1 2 214.265 0.137 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000336001773 134047642 /nfs/dbraw/zinc/04/76/42/134047642.db2.gz DSMCFDVZJMSLGM-SSDOTTSWSA-N 1 2 228.321 0.046 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000336001773 134047643 /nfs/dbraw/zinc/04/76/43/134047643.db2.gz DSMCFDVZJMSLGM-SSDOTTSWSA-N 1 2 228.321 0.046 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(F)c1N ZINC000639333174 355761356 /nfs/dbraw/zinc/76/13/56/355761356.db2.gz UGGQODODJCJTSN-UHFFFAOYSA-N 1 2 225.267 0.586 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(F)c1N ZINC000639333174 355761357 /nfs/dbraw/zinc/76/13/57/355761357.db2.gz UGGQODODJCJTSN-UHFFFAOYSA-N 1 2 225.267 0.586 20 0 BCADLO CO[C@@]1(C[N@H+](C)Cc2noc(C)n2)CCOC1 ZINC000639333386 355762578 /nfs/dbraw/zinc/76/25/78/355762578.db2.gz WPPIYIDPNSBPJW-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@@]1(C[N@@H+](C)Cc2noc(C)n2)CCOC1 ZINC000639333386 355762580 /nfs/dbraw/zinc/76/25/80/355762580.db2.gz WPPIYIDPNSBPJW-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cncc(OC)c1C ZINC000639333661 355764729 /nfs/dbraw/zinc/76/47/29/355764729.db2.gz ZEEXUANDOMBVBS-UHFFFAOYSA-N 1 2 237.303 0.576 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cncc(OC)c1C ZINC000639333661 355764731 /nfs/dbraw/zinc/76/47/31/355764731.db2.gz ZEEXUANDOMBVBS-UHFFFAOYSA-N 1 2 237.303 0.576 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@H]1O ZINC000352059732 134054596 /nfs/dbraw/zinc/05/45/96/134054596.db2.gz RMGKOFLIBHDBCP-WDEREUQCSA-N 1 2 237.303 0.762 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1O ZINC000352059732 134054597 /nfs/dbraw/zinc/05/45/97/134054597.db2.gz RMGKOFLIBHDBCP-WDEREUQCSA-N 1 2 237.303 0.762 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368087150 181211742 /nfs/dbraw/zinc/21/17/42/181211742.db2.gz CPXLIYOLHLZXGN-HTQZYQBOSA-N 1 2 234.307 0.071 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368087150 181211745 /nfs/dbraw/zinc/21/17/45/181211745.db2.gz CPXLIYOLHLZXGN-HTQZYQBOSA-N 1 2 234.307 0.071 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000191711908 355836230 /nfs/dbraw/zinc/83/62/30/355836230.db2.gz QEEGEOJCCBTCEZ-CIUDSAMLSA-N 1 2 203.282 0.951 20 0 BCADLO COc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)co1 ZINC000623254181 355852830 /nfs/dbraw/zinc/85/28/30/355852830.db2.gz MZBHKKSBAAGPKR-ZETCQYMHSA-N 1 2 248.242 0.234 20 0 BCADLO COc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000623255265 355856383 /nfs/dbraw/zinc/85/63/83/355856383.db2.gz XYFUYCXYTNLFQS-QMMMGPOBSA-N 1 2 247.254 0.839 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255025 355856898 /nfs/dbraw/zinc/85/68/98/355856898.db2.gz GACUYOFEULSPFX-MWLCHTKSSA-N 1 2 235.287 0.493 20 0 BCADLO NC(=O)C1([NH2+]Cc2c[nH]cn2)CCCCC1 ZINC000188237103 181214931 /nfs/dbraw/zinc/21/49/31/181214931.db2.gz RRUKIEOVLXZKMI-UHFFFAOYSA-N 1 2 222.292 0.688 20 0 BCADLO C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000191902008 355863395 /nfs/dbraw/zinc/86/33/95/355863395.db2.gz OIJWOYQENMTDLM-JGVFFNPUSA-N 1 2 226.280 0.403 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2cocn2)CCC1=O ZINC000628368905 355865298 /nfs/dbraw/zinc/86/52/98/355865298.db2.gz FQVNKHIQQWCZRW-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2cocn2)CCC1=O ZINC000628368905 355865301 /nfs/dbraw/zinc/86/53/01/355865301.db2.gz FQVNKHIQQWCZRW-SNVBAGLBSA-N 1 2 223.276 0.727 20 0 BCADLO CCc1cnc(C[NH+](CCO)CCO)s1 ZINC000628369868 355878396 /nfs/dbraw/zinc/87/83/96/355878396.db2.gz HFLFMQIQKPAJRT-UHFFFAOYSA-N 1 2 230.333 0.492 20 0 BCADLO NC(=O)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353325760 181224227 /nfs/dbraw/zinc/22/42/27/181224227.db2.gz AVRLSXMMOIUETN-UHFFFAOYSA-N 1 2 247.258 0.331 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H](O)C1CCC1 ZINC000623256863 355983567 /nfs/dbraw/zinc/98/35/67/355983567.db2.gz YBVPRDRDVXSPJB-MWLCHTKSSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H](O)C1CCC1 ZINC000623256861 355983693 /nfs/dbraw/zinc/98/36/93/355983693.db2.gz YBVPRDRDVXSPJB-GXSJLCMTSA-N 1 2 235.287 0.085 20 0 BCADLO Cn1nccc1CC[NH+]1CCS(=O)CC1 ZINC000351491072 356000950 /nfs/dbraw/zinc/00/09/50/356000950.db2.gz IFDBCLNGBHMJQF-UHFFFAOYSA-N 1 2 227.333 0.027 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000351495043 356002599 /nfs/dbraw/zinc/00/25/99/356002599.db2.gz POYZZSQPQAQDES-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO Cc1nnsc1C[N@H+](CCO)C1CC1 ZINC000389267289 355943560 /nfs/dbraw/zinc/94/35/60/355943560.db2.gz KCQXJGBEMZUJOW-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnsc1C[N@@H+](CCO)C1CC1 ZINC000389267289 355943564 /nfs/dbraw/zinc/94/35/64/355943564.db2.gz KCQXJGBEMZUJOW-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351104734 355947965 /nfs/dbraw/zinc/94/79/65/355947965.db2.gz UZIGGCXVZUSYCY-NSHDSACASA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351104734 355947968 /nfs/dbraw/zinc/94/79/68/355947968.db2.gz UZIGGCXVZUSYCY-NSHDSACASA-N 1 2 228.336 0.868 20 0 BCADLO COCCC[N@H+](CCO)Cc1nc(C)no1 ZINC000351631859 356036592 /nfs/dbraw/zinc/03/65/92/356036592.db2.gz VSXABOVGLLFWEA-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO COCCC[N@@H+](CCO)Cc1nc(C)no1 ZINC000351631859 356036595 /nfs/dbraw/zinc/03/65/95/356036595.db2.gz VSXABOVGLLFWEA-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO CC[C@@]1(C)C[N@H+](Cc2cnnn2C)CCO1 ZINC000351632595 356036742 /nfs/dbraw/zinc/03/67/42/356036742.db2.gz XEBIKHYYEIDUGX-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@]1(C)C[N@@H+](Cc2cnnn2C)CCO1 ZINC000351632595 356036747 /nfs/dbraw/zinc/03/67/47/356036747.db2.gz XEBIKHYYEIDUGX-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@H](CO)COC(C)C)n1 ZINC000351644556 356041816 /nfs/dbraw/zinc/04/18/16/356041816.db2.gz AGMHKEYUUXADCZ-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO Cc1noc(C[N@H+](C)[C@H](CO)COC(C)C)n1 ZINC000351644556 356041819 /nfs/dbraw/zinc/04/18/19/356041819.db2.gz AGMHKEYUUXADCZ-SNVBAGLBSA-N 1 2 243.307 0.596 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000351644940 356042264 /nfs/dbraw/zinc/04/22/64/356042264.db2.gz LZSKGWHOVDFLNL-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1cc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000351644940 356042270 /nfs/dbraw/zinc/04/22/70/356042270.db2.gz LZSKGWHOVDFLNL-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000336714200 181236376 /nfs/dbraw/zinc/23/63/76/181236376.db2.gz UWEGXUCXXMQVEM-QMMMGPOBSA-N 1 2 246.669 0.587 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ccon2)C[C@H]1OC ZINC000351648563 356044452 /nfs/dbraw/zinc/04/44/52/356044452.db2.gz LFXDZTPEFATPGA-NXEZZACHSA-N 1 2 212.249 0.520 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000336067679 134071055 /nfs/dbraw/zinc/07/10/55/134071055.db2.gz DODSWFGKSBIVKR-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000336067679 134071056 /nfs/dbraw/zinc/07/10/56/134071056.db2.gz DODSWFGKSBIVKR-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1ccon1 ZINC000351524805 356008539 /nfs/dbraw/zinc/00/85/39/356008539.db2.gz RTGXTYDBXKWDJE-JTQLQIEISA-N 1 2 228.317 0.974 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1ccon1 ZINC000351524805 356008540 /nfs/dbraw/zinc/00/85/40/356008540.db2.gz RTGXTYDBXKWDJE-JTQLQIEISA-N 1 2 228.317 0.974 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1ccon1 ZINC000351524806 356008708 /nfs/dbraw/zinc/00/87/08/356008708.db2.gz RTGXTYDBXKWDJE-SNVBAGLBSA-N 1 2 228.317 0.974 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1ccon1 ZINC000351524806 356008711 /nfs/dbraw/zinc/00/87/11/356008711.db2.gz RTGXTYDBXKWDJE-SNVBAGLBSA-N 1 2 228.317 0.974 20 0 BCADLO NC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119520093 181233170 /nfs/dbraw/zinc/23/31/70/181233170.db2.gz YDIHPPNHDLEBFM-UHFFFAOYSA-N 1 2 226.320 0.897 20 0 BCADLO NC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119520093 181233173 /nfs/dbraw/zinc/23/31/73/181233173.db2.gz YDIHPPNHDLEBFM-UHFFFAOYSA-N 1 2 226.320 0.897 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258210 356064848 /nfs/dbraw/zinc/06/48/48/356064848.db2.gz KLSREGYMLHKOCE-CABZTGNLSA-N 1 2 235.287 0.085 20 0 BCADLO Cc1cnccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257799 356028515 /nfs/dbraw/zinc/02/85/15/356028515.db2.gz VKRFZJZRZFJPMX-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC1(F)F ZINC000623257883 356029656 /nfs/dbraw/zinc/02/96/56/356029656.db2.gz YHFWLYLTNGNDLQ-POYBYMJQSA-N 1 2 227.214 0.579 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1nccs1 ZINC000623260388 356116547 /nfs/dbraw/zinc/11/65/47/356116547.db2.gz BDIFZBDDQNCVLS-ZETCQYMHSA-N 1 2 234.284 0.694 20 0 BCADLO COC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623260390 356118415 /nfs/dbraw/zinc/11/84/15/356118415.db2.gz BDVPOQMLWXLVEV-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cn1 ZINC000351718403 356069422 /nfs/dbraw/zinc/06/94/22/356069422.db2.gz JJAPITNASYMIQD-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cn1 ZINC000351718403 356069424 /nfs/dbraw/zinc/06/94/24/356069424.db2.gz JJAPITNASYMIQD-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO CN(Cc1cc[nH]n1)C(=O)NCCn1cc[nH+]c1 ZINC000351745001 356078956 /nfs/dbraw/zinc/07/89/56/356078956.db2.gz XUPODOVJBMRFSF-UHFFFAOYSA-N 1 2 248.290 0.448 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623258907 356086714 /nfs/dbraw/zinc/08/67/14/356086714.db2.gz JRFXAHBJXQIHKM-MIZYBKAJSA-N 1 2 249.314 0.738 20 0 BCADLO CC[C@](C)(OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259693 356090592 /nfs/dbraw/zinc/09/05/92/356090592.db2.gz IJLLQONGYVIYIJ-SKDRFNHKSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1O ZINC000351907227 356179305 /nfs/dbraw/zinc/17/93/05/356179305.db2.gz LTEHVVOWXJVLBG-KOLCDFICSA-N 1 2 245.282 0.787 20 0 BCADLO CO[C@@H](C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262164 356162783 /nfs/dbraw/zinc/16/27/83/356162783.db2.gz QMJSUMLSJCWWFQ-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCCCCO2)C1 ZINC000351894435 356163292 /nfs/dbraw/zinc/16/32/92/356163292.db2.gz SCAHGXKNWQKUQR-SNVBAGLBSA-N 1 2 228.292 0.261 20 0 BCADLO C[C@@H](O)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262324 356163325 /nfs/dbraw/zinc/16/33/25/356163325.db2.gz XGMKNOYVFPQIGZ-SNVBAGLBSA-N 1 2 234.299 0.846 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000623262443 356170326 /nfs/dbraw/zinc/17/03/26/356170326.db2.gz BRBJKAFVYGNTRI-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cscn1 ZINC000623262730 356174644 /nfs/dbraw/zinc/17/46/44/356174644.db2.gz NILVRBXPCMAZOL-ZETCQYMHSA-N 1 2 234.284 0.694 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261253 356144150 /nfs/dbraw/zinc/14/41/50/356144150.db2.gz IAQJTGGKFWDDOH-SKDRFNHKSA-N 1 2 237.303 0.331 20 0 BCADLO O=C(Cc1cncs1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261159 356148038 /nfs/dbraw/zinc/14/80/38/356148038.db2.gz BUTWCCPYQKUKKR-MRVPVSSYSA-N 1 2 248.311 0.623 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000639437173 356215684 /nfs/dbraw/zinc/21/56/84/356215684.db2.gz XTRCSAXCUYIFND-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)[nH]1 ZINC000332638553 356223986 /nfs/dbraw/zinc/22/39/86/356223986.db2.gz JSPJEWQVUXCEBX-HTQZYQBOSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)[nH]1 ZINC000332638553 356223988 /nfs/dbraw/zinc/22/39/88/356223988.db2.gz JSPJEWQVUXCEBX-HTQZYQBOSA-N 1 2 210.281 0.322 20 0 BCADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623264043 356228372 /nfs/dbraw/zinc/22/83/72/356228372.db2.gz DARMRTGWDCKMOR-WCBMZHEXSA-N 1 2 219.288 0.970 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623265005 356231316 /nfs/dbraw/zinc/23/13/16/356231316.db2.gz YTOGZUDPGWLLQP-JLLWLGSASA-N 1 2 249.314 0.882 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263106 356198046 /nfs/dbraw/zinc/19/80/46/356198046.db2.gz BZZWCAYGWRZGAR-JOYOIKCWSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(Cc1cccnc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263341 356201553 /nfs/dbraw/zinc/20/15/53/356201553.db2.gz JOEPBGSKYWRKTN-NSHDSACASA-N 1 2 242.282 0.562 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@H]1c1c[nH+]cn1C ZINC000639428424 356209651 /nfs/dbraw/zinc/20/96/51/356209651.db2.gz VAPKMLBMOZGSIB-SECBINFHSA-N 1 2 222.292 0.649 20 0 BCADLO Cc1ncc(CC(=O)NCCCn2cc[nH+]c2)o1 ZINC000639466076 356252881 /nfs/dbraw/zinc/25/28/81/356252881.db2.gz BLPICJQRZKAVPM-UHFFFAOYSA-N 1 2 248.286 0.929 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CN(C)C[C@H]2C)[nH]1 ZINC000333509873 356295614 /nfs/dbraw/zinc/29/56/14/356295614.db2.gz DXYAFQFNIGMFMT-RKDXNWHRSA-N 1 2 223.324 0.407 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639484005 356299896 /nfs/dbraw/zinc/29/98/96/356299896.db2.gz XZSFEKLWBYMRMN-LBPRGKRZSA-N 1 2 248.330 0.476 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639484005 356299898 /nfs/dbraw/zinc/29/98/98/356299898.db2.gz XZSFEKLWBYMRMN-LBPRGKRZSA-N 1 2 248.330 0.476 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccncc1F ZINC000623266159 356304497 /nfs/dbraw/zinc/30/44/97/356304497.db2.gz TUZSUNGIYOWQIJ-MRVPVSSYSA-N 1 2 246.245 0.772 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000639491253 356309506 /nfs/dbraw/zinc/30/95/06/356309506.db2.gz MAUORAPEAPGRJT-JTQLQIEISA-N 1 2 225.292 0.065 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000639491253 356309508 /nfs/dbraw/zinc/30/95/08/356309508.db2.gz MAUORAPEAPGRJT-JTQLQIEISA-N 1 2 225.292 0.065 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269105 356367397 /nfs/dbraw/zinc/36/73/97/356367397.db2.gz AVCQNBGRNFCBFO-SCZZXKLOSA-N 1 2 223.276 0.349 20 0 BCADLO CCN1CCC[N@H+](Cc2cnc(C)nc2)CC1=O ZINC000352415251 356341479 /nfs/dbraw/zinc/34/14/79/356341479.db2.gz XAGLGNWXKHNMHU-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCN1CCC[N@@H+](Cc2cnc(C)nc2)CC1=O ZINC000352415251 356341482 /nfs/dbraw/zinc/34/14/82/356341482.db2.gz XAGLGNWXKHNMHU-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)O)[nH]1 ZINC000352185502 134097468 /nfs/dbraw/zinc/09/74/68/134097468.db2.gz CZSSXFLVGMDTFV-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)O)[nH]1 ZINC000352185502 134097469 /nfs/dbraw/zinc/09/74/69/134097469.db2.gz CZSSXFLVGMDTFV-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CC(C)(C)[C@H](O)C[NH2+]CC(F)(F)CO ZINC000379483796 358502862 /nfs/dbraw/zinc/50/28/62/358502862.db2.gz GJMPLSSKKYHTCJ-SSDOTTSWSA-N 1 2 211.252 0.611 20 0 BCADLO CC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000639532213 356381702 /nfs/dbraw/zinc/38/17/02/356381702.db2.gz DEMLEILGHLPQGS-WDEREUQCSA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000639532213 356381703 /nfs/dbraw/zinc/38/17/03/356381703.db2.gz DEMLEILGHLPQGS-WDEREUQCSA-N 1 2 247.360 0.863 20 0 BCADLO CC(C)(C)[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000379483797 358503283 /nfs/dbraw/zinc/50/32/83/358503283.db2.gz GJMPLSSKKYHTCJ-ZETCQYMHSA-N 1 2 211.252 0.611 20 0 BCADLO O=C(CC(F)(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270363 356385526 /nfs/dbraw/zinc/38/55/26/356385526.db2.gz DNXRKAADNWDHSN-ZCFIWIBFSA-N 1 2 233.193 0.876 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639535763 356388003 /nfs/dbraw/zinc/38/80/03/356388003.db2.gz MDRAGNOIGGWYKS-GFCCVEGCSA-N 1 2 248.330 0.995 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639535763 356388008 /nfs/dbraw/zinc/38/80/08/356388008.db2.gz MDRAGNOIGGWYKS-GFCCVEGCSA-N 1 2 248.330 0.995 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1C ZINC000623272077 356390085 /nfs/dbraw/zinc/39/00/85/356390085.db2.gz OKCJSWADTNUSGM-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO Cc1nccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623272451 356391691 /nfs/dbraw/zinc/39/16/91/356391691.db2.gz WMRYVKKINFWNQN-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271496 356391933 /nfs/dbraw/zinc/39/19/33/356391933.db2.gz ACASFLZLEIVGFP-DVVUODLYSA-N 1 2 235.287 0.349 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1csnn1 ZINC000623272889 356396294 /nfs/dbraw/zinc/39/62/94/356396294.db2.gz DVVCKVBBWPEVIJ-ZCFIWIBFSA-N 1 2 235.272 0.089 20 0 BCADLO CC(C)C[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000194431918 356396400 /nfs/dbraw/zinc/39/64/00/356396400.db2.gz OJDVBBIHWCOPPJ-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO CC(C)C[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000194431918 356396407 /nfs/dbraw/zinc/39/64/07/356396407.db2.gz OJDVBBIHWCOPPJ-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352815901 356422115 /nfs/dbraw/zinc/42/21/15/356422115.db2.gz LROVNAQIASLYGP-MXWKQRLJSA-N 1 2 245.319 0.410 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352815901 356422117 /nfs/dbraw/zinc/42/21/17/356422117.db2.gz LROVNAQIASLYGP-MXWKQRLJSA-N 1 2 245.319 0.410 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC1CC(O)C1 ZINC000568250278 491091710 /nfs/dbraw/zinc/09/17/10/491091710.db2.gz LRJRJURUIITYNJ-UHFFFAOYSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC1CC(O)C1 ZINC000568250278 491091711 /nfs/dbraw/zinc/09/17/11/491091711.db2.gz LRJRJURUIITYNJ-UHFFFAOYSA-N 1 2 238.291 0.640 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH]cn1 ZINC000375492336 181273693 /nfs/dbraw/zinc/27/36/93/181273693.db2.gz DIXHZLZVNUMNDX-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c[nH]cn1 ZINC000375492336 181273696 /nfs/dbraw/zinc/27/36/96/181273696.db2.gz DIXHZLZVNUMNDX-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc[nH]1 ZINC000375492336 181273698 /nfs/dbraw/zinc/27/36/98/181273698.db2.gz DIXHZLZVNUMNDX-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnc[nH]1 ZINC000375492336 181273702 /nfs/dbraw/zinc/27/37/02/181273702.db2.gz DIXHZLZVNUMNDX-IEBDPFPHSA-N 1 2 234.303 0.496 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC(O)C1 ZINC000613499235 363463925 /nfs/dbraw/zinc/46/39/25/363463925.db2.gz UMGZRPCQKCZZOZ-JPPWEJMLSA-N 1 2 249.314 0.505 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274128 356409140 /nfs/dbraw/zinc/40/91/40/356409140.db2.gz DWYLOOVYCRYTFF-QMMMGPOBSA-N 1 2 231.259 0.269 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282060 356464668 /nfs/dbraw/zinc/46/46/68/356464668.db2.gz LLJBYTKZELJTQY-WEDXCCLWSA-N 1 2 205.261 0.580 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639556543 356459010 /nfs/dbraw/zinc/45/90/10/356459010.db2.gz OOJITDVAWMHWHH-LBPRGKRZSA-N 1 2 248.330 0.620 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639556543 356459014 /nfs/dbraw/zinc/45/90/14/356459014.db2.gz OOJITDVAWMHWHH-LBPRGKRZSA-N 1 2 248.330 0.620 20 0 BCADLO CCc1nc(C[N@H+](CC)C[C@@H](C)O)no1 ZINC000352209663 134107583 /nfs/dbraw/zinc/10/75/83/134107583.db2.gz CIHRPGYUXONSEJ-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](CC)C[C@@H](C)O)no1 ZINC000352209663 134107584 /nfs/dbraw/zinc/10/75/84/134107584.db2.gz CIHRPGYUXONSEJ-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000352211898 134107817 /nfs/dbraw/zinc/10/78/17/134107817.db2.gz MITYGQVDABHVHI-KCJUWKMLSA-N 1 2 235.287 0.656 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1ccccn1 ZINC000639558849 356464982 /nfs/dbraw/zinc/46/49/82/356464982.db2.gz IMSCLGAKPGNCOI-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1ccccn1 ZINC000639558849 356464985 /nfs/dbraw/zinc/46/49/85/356464985.db2.gz IMSCLGAKPGNCOI-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1C=C[C@H](CO)C1)n1cc[nH+]c1 ZINC000581016222 356433396 /nfs/dbraw/zinc/43/33/96/356433396.db2.gz MRFZHAKSKKJGDB-SDDRHHMPSA-N 1 2 249.314 0.887 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCN(C2CCC2)C1=O ZINC000639551495 356436115 /nfs/dbraw/zinc/43/61/15/356436115.db2.gz NUPJOLITGZNFAE-NSHDSACASA-N 1 2 248.330 0.995 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCc2ncnn21 ZINC000639551620 356437140 /nfs/dbraw/zinc/43/71/40/356437140.db2.gz PJQQBXKWYIUTRM-SECBINFHSA-N 1 2 232.291 0.621 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCc2ncnn21 ZINC000639551620 356437144 /nfs/dbraw/zinc/43/71/44/356437144.db2.gz PJQQBXKWYIUTRM-SECBINFHSA-N 1 2 232.291 0.621 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnccn1 ZINC000623282085 356465907 /nfs/dbraw/zinc/46/59/07/356465907.db2.gz MAZOPOUORORAKL-MRVPVSSYSA-N 1 2 229.243 0.028 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)C[C@@H](C)O ZINC000352224010 134109939 /nfs/dbraw/zinc/10/99/39/134109939.db2.gz YXTVQCIGQHYVDO-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)C[C@@H](C)O ZINC000352224010 134109940 /nfs/dbraw/zinc/10/99/40/134109940.db2.gz YXTVQCIGQHYVDO-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000193007086 356493340 /nfs/dbraw/zinc/49/33/40/356493340.db2.gz UWAFZOKFFRHNMC-IUCAKERBSA-N 1 2 225.296 0.257 20 0 BCADLO NC(=O)[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000355943298 181283918 /nfs/dbraw/zinc/28/39/18/181283918.db2.gz QVMRGYQHRFDWFS-YYRQZUAOSA-N 1 2 247.298 0.281 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000355943298 181283920 /nfs/dbraw/zinc/28/39/20/181283920.db2.gz QVMRGYQHRFDWFS-YYRQZUAOSA-N 1 2 247.298 0.281 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000092735791 181284061 /nfs/dbraw/zinc/28/40/61/181284061.db2.gz OQBZAQYBRKPDII-SECBINFHSA-N 1 2 226.301 0.434 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000092735791 181284062 /nfs/dbraw/zinc/28/40/62/181284062.db2.gz OQBZAQYBRKPDII-SECBINFHSA-N 1 2 226.301 0.434 20 0 BCADLO CC(C)N1CC[N@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639573991 356497143 /nfs/dbraw/zinc/49/71/43/356497143.db2.gz DOTDCIZMXCAJHX-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CC(C)N1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639573991 356497144 /nfs/dbraw/zinc/49/71/44/356497144.db2.gz DOTDCIZMXCAJHX-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000639588050 356505813 /nfs/dbraw/zinc/50/58/13/356505813.db2.gz NOQCTPBAISPABL-SCZZXKLOSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000639588050 356505817 /nfs/dbraw/zinc/50/58/17/356505817.db2.gz NOQCTPBAISPABL-SCZZXKLOSA-N 1 2 201.266 0.047 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639583167 356506191 /nfs/dbraw/zinc/50/61/91/356506191.db2.gz IVUJIGIKSPLWTR-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639583167 356506194 /nfs/dbraw/zinc/50/61/94/356506194.db2.gz IVUJIGIKSPLWTR-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585458 356507960 /nfs/dbraw/zinc/50/79/60/356507960.db2.gz HAYMDONSEFLDFW-RKDXNWHRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585458 356507964 /nfs/dbraw/zinc/50/79/64/356507964.db2.gz HAYMDONSEFLDFW-RKDXNWHRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000639585458 356507967 /nfs/dbraw/zinc/50/79/67/356507967.db2.gz HAYMDONSEFLDFW-RKDXNWHRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000639585458 356507969 /nfs/dbraw/zinc/50/79/69/356507969.db2.gz HAYMDONSEFLDFW-RKDXNWHRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585456 356508828 /nfs/dbraw/zinc/50/88/28/356508828.db2.gz HAYMDONSEFLDFW-DTWKUNHWSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585456 356508833 /nfs/dbraw/zinc/50/88/33/356508833.db2.gz HAYMDONSEFLDFW-DTWKUNHWSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000639585456 356508837 /nfs/dbraw/zinc/50/88/37/356508837.db2.gz HAYMDONSEFLDFW-DTWKUNHWSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000639585456 356508840 /nfs/dbraw/zinc/50/88/40/356508840.db2.gz HAYMDONSEFLDFW-DTWKUNHWSA-N 1 2 238.291 0.224 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H]2C[C@@H](O)C2)CC1=O ZINC000420915852 192271598 /nfs/dbraw/zinc/27/15/98/192271598.db2.gz GDLDLUDNULSMAA-TXEJJXNPSA-N 1 2 240.347 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H]2C[C@@H](O)C2)CC1=O ZINC000420915852 192271601 /nfs/dbraw/zinc/27/16/01/192271601.db2.gz GDLDLUDNULSMAA-TXEJJXNPSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccno1 ZINC000088094232 491094259 /nfs/dbraw/zinc/09/42/59/491094259.db2.gz SLTALQUVLBPVJY-WPRPVWTQSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccno1 ZINC000088094232 491094260 /nfs/dbraw/zinc/09/42/60/491094260.db2.gz SLTALQUVLBPVJY-WPRPVWTQSA-N 1 2 212.249 0.256 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420946173 192276550 /nfs/dbraw/zinc/27/65/50/192276550.db2.gz UDEDUYRYKUTAHG-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420946173 192276552 /nfs/dbraw/zinc/27/65/52/192276552.db2.gz UDEDUYRYKUTAHG-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccno1 ZINC000088094233 491094266 /nfs/dbraw/zinc/09/42/66/491094266.db2.gz SLTALQUVLBPVJY-PSASIEDQSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccno1 ZINC000088094233 491094269 /nfs/dbraw/zinc/09/42/69/491094269.db2.gz SLTALQUVLBPVJY-PSASIEDQSA-N 1 2 212.249 0.256 20 0 BCADLO CC1(C)CN(Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000420952128 192277713 /nfs/dbraw/zinc/27/77/13/192277713.db2.gz YQJXTLJABMUYLL-JTQLQIEISA-N 1 2 225.292 0.381 20 0 BCADLO CCN1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336180235 134119637 /nfs/dbraw/zinc/11/96/37/134119637.db2.gz OYIHCOOZXDEQPU-LBPRGKRZSA-N 1 2 237.347 0.387 20 0 BCADLO Cn1cc(Cl)c(C[N@H+](C)CCCO)n1 ZINC000420962715 192282618 /nfs/dbraw/zinc/28/26/18/192282618.db2.gz KWRNFOSOZAFPTC-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1cc(Cl)c(C[N@@H+](C)CCCO)n1 ZINC000420962715 192282622 /nfs/dbraw/zinc/28/26/22/192282622.db2.gz KWRNFOSOZAFPTC-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000639608735 356530727 /nfs/dbraw/zinc/53/07/27/356530727.db2.gz AOPRCWPULUQNTE-BDAKNGLRSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000639608735 356530732 /nfs/dbraw/zinc/53/07/32/356530732.db2.gz AOPRCWPULUQNTE-BDAKNGLRSA-N 1 2 223.263 0.707 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420948615 192275585 /nfs/dbraw/zinc/27/55/85/192275585.db2.gz VWFHIQHRWNGJCL-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420948615 192275587 /nfs/dbraw/zinc/27/55/87/192275587.db2.gz VWFHIQHRWNGJCL-LLVKDONJSA-N 1 2 240.303 0.955 20 0 BCADLO CC(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000639629428 356544966 /nfs/dbraw/zinc/54/49/66/356544966.db2.gz VTQPCXPSXOMMED-ZDUSSCGKSA-N 1 2 240.347 0.620 20 0 BCADLO CC[C@@H]1C[N@H+](CC(C)=O)C[C@@]2(CCOC2)O1 ZINC000639620811 356541191 /nfs/dbraw/zinc/54/11/91/356541191.db2.gz OHJRNVZOINTUAK-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(C)=O)C[C@@]2(CCOC2)O1 ZINC000639620811 356541195 /nfs/dbraw/zinc/54/11/95/356541195.db2.gz OHJRNVZOINTUAK-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO Oc1cccnc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000578119621 366276409 /nfs/dbraw/zinc/27/64/09/366276409.db2.gz ILITVZODRUPPOX-SECBINFHSA-N 1 2 226.251 0.958 20 0 BCADLO Oc1cccnc1C[N@H+]1CCO[C@H](CF)C1 ZINC000578119621 366276410 /nfs/dbraw/zinc/27/64/10/366276410.db2.gz ILITVZODRUPPOX-SECBINFHSA-N 1 2 226.251 0.958 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000639623024 356542578 /nfs/dbraw/zinc/54/25/78/356542578.db2.gz HEDNNCMUGNGUDF-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000639623024 356542582 /nfs/dbraw/zinc/54/25/82/356542582.db2.gz HEDNNCMUGNGUDF-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000639624276 356543282 /nfs/dbraw/zinc/54/32/82/356543282.db2.gz DNQYCNVEFBXIPI-ZDUSSCGKSA-N 1 2 235.283 0.835 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000623297015 356547272 /nfs/dbraw/zinc/54/72/72/356547272.db2.gz VMVZGSVCPDCFJO-ONGXEEELSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1cccnc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000449785272 202033592 /nfs/dbraw/zinc/03/35/92/202033592.db2.gz FIDQLMAPXJHFCB-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000449785272 202033595 /nfs/dbraw/zinc/03/35/95/202033595.db2.gz FIDQLMAPXJHFCB-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000449787111 202037807 /nfs/dbraw/zinc/03/78/07/202037807.db2.gz SPOMGNVYIYFJPQ-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000449787111 202037809 /nfs/dbraw/zinc/03/78/09/202037809.db2.gz SPOMGNVYIYFJPQ-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000639641569 356554473 /nfs/dbraw/zinc/55/44/73/356554473.db2.gz JYXCJNSKYDCHNM-NSHDSACASA-N 1 2 213.277 0.457 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000639641569 356554474 /nfs/dbraw/zinc/55/44/74/356554474.db2.gz JYXCJNSKYDCHNM-NSHDSACASA-N 1 2 213.277 0.457 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC1(F)F ZINC000623299248 356556889 /nfs/dbraw/zinc/55/68/89/356556889.db2.gz UNIVVIXUBRBIMX-VXNVDRBHSA-N 1 2 241.241 0.969 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC1(F)F ZINC000623299247 356556896 /nfs/dbraw/zinc/55/68/96/356556896.db2.gz UNIVVIXUBRBIMX-IONNQARKSA-N 1 2 241.241 0.969 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCCCO2)CCN1C1CC1 ZINC000336208903 134133459 /nfs/dbraw/zinc/13/34/59/134133459.db2.gz CIGOHWUSIJLHDW-GFCCVEGCSA-N 1 2 238.331 0.862 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCCCO2)CCN1C1CC1 ZINC000336208903 134133460 /nfs/dbraw/zinc/13/34/60/134133460.db2.gz CIGOHWUSIJLHDW-GFCCVEGCSA-N 1 2 238.331 0.862 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC(C)=O ZINC000639652435 356563569 /nfs/dbraw/zinc/56/35/69/356563569.db2.gz QHXGMOBPJGIUSJ-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC(C)=O ZINC000639652435 356563572 /nfs/dbraw/zinc/56/35/72/356563572.db2.gz QHXGMOBPJGIUSJ-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO CC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000639653316 356565225 /nfs/dbraw/zinc/56/52/25/356565225.db2.gz XOBPWJNIQDOPJB-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO CC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000639653316 356565227 /nfs/dbraw/zinc/56/52/27/356565227.db2.gz XOBPWJNIQDOPJB-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO CO[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623301234 356575335 /nfs/dbraw/zinc/57/53/35/356575335.db2.gz HNLAARCLGXXGIH-ZYHUDNBSSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303626 356594173 /nfs/dbraw/zinc/59/41/73/356594173.db2.gz HNYHAGRBHSTARE-QXEWZRGKSA-N 1 2 219.288 0.970 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)[nH]n1 ZINC000623302706 356583745 /nfs/dbraw/zinc/58/37/45/356583745.db2.gz MYLLOXAUQCHSSI-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303089 356583956 /nfs/dbraw/zinc/58/39/56/356583956.db2.gz VQJXYVCZKSNAOX-YUSALJHKSA-N 1 2 249.314 0.739 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000639677026 356585120 /nfs/dbraw/zinc/58/51/20/356585120.db2.gz GEQFCYDXUQWQAV-RKDXNWHRSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000639677026 356585124 /nfs/dbraw/zinc/58/51/24/356585124.db2.gz GEQFCYDXUQWQAV-RKDXNWHRSA-N 1 2 223.263 0.707 20 0 BCADLO C[C@H](O)[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000162786382 202064274 /nfs/dbraw/zinc/06/42/74/202064274.db2.gz JTBXWGFIYRIQNZ-IUCAKERBSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000162786382 202064277 /nfs/dbraw/zinc/06/42/77/202064277.db2.gz JTBXWGFIYRIQNZ-IUCAKERBSA-N 1 2 237.307 0.211 20 0 BCADLO COCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303679 356594595 /nfs/dbraw/zinc/59/45/95/356594595.db2.gz IKZVZDCHTKCOBO-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO COc1ccc(N2CC[NH+](CC(C)=O)CC2)nc1 ZINC000639671015 356586193 /nfs/dbraw/zinc/58/61/93/356586193.db2.gz KYLPYCNEZOYFQO-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000162786265 202065148 /nfs/dbraw/zinc/06/51/48/202065148.db2.gz JTBXWGFIYRIQNZ-RKDXNWHRSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000162786265 202065150 /nfs/dbraw/zinc/06/51/50/202065150.db2.gz JTBXWGFIYRIQNZ-RKDXNWHRSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000623307399 356610911 /nfs/dbraw/zinc/61/09/11/356610911.db2.gz FZNIDQSOVCENOU-LLVKDONJSA-N 1 2 244.298 0.966 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639679036 356595398 /nfs/dbraw/zinc/59/53/98/356595398.db2.gz YRDJQWRDPZDWMZ-SNVBAGLBSA-N 1 2 249.318 0.277 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639679036 356595401 /nfs/dbraw/zinc/59/54/01/356595401.db2.gz YRDJQWRDPZDWMZ-SNVBAGLBSA-N 1 2 249.318 0.277 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000623305304 356599489 /nfs/dbraw/zinc/59/94/89/356599489.db2.gz PGMCDSRCNFLGBV-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305164 356599533 /nfs/dbraw/zinc/59/95/33/356599533.db2.gz MUKDIDNKKALSCZ-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305824 356606547 /nfs/dbraw/zinc/60/65/47/356606547.db2.gz AIYQGBDRNZYKKG-UMNHJUIQSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CC(=O)C1 ZINC000623306554 356607419 /nfs/dbraw/zinc/60/74/19/356607419.db2.gz POQSWZSXAVRDJZ-VIFPVBQESA-N 1 2 233.271 0.293 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000450188943 202093730 /nfs/dbraw/zinc/09/37/30/202093730.db2.gz VGUQGVQJVJFSEQ-GRYCIOLGSA-N 1 2 237.347 0.149 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000630094032 363534752 /nfs/dbraw/zinc/53/47/52/363534752.db2.gz UFRZDYURZXSSSY-DMDPSCGWSA-N 1 2 234.299 0.924 20 0 BCADLO Cc1cc(C[NH+]2CCN(c3nc[nH]n3)CC2)on1 ZINC000639728392 356621432 /nfs/dbraw/zinc/62/14/32/356621432.db2.gz GUOFPJQYKIIRHR-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO c1nc(N2CC[NH+](Cc3ccccn3)CC2)n[nH]1 ZINC000639731278 356625060 /nfs/dbraw/zinc/62/50/60/356625060.db2.gz XHMYXQFXICJVSO-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO CCN1CCCN(c2cc(C)[nH+]cn2)CC1=O ZINC000302771757 356627668 /nfs/dbraw/zinc/62/76/68/356627668.db2.gz NCJKQORPWUKMEO-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000302806862 356628893 /nfs/dbraw/zinc/62/88/93/356628893.db2.gz COYIOBZXFSBOMM-JTQLQIEISA-N 1 2 243.351 0.167 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000302806862 356628897 /nfs/dbraw/zinc/62/88/97/356628897.db2.gz COYIOBZXFSBOMM-JTQLQIEISA-N 1 2 243.351 0.167 20 0 BCADLO Cc1cc(NC[C@]2(O)CCO[C@H]2C)nc[nH+]1 ZINC000228010102 491099228 /nfs/dbraw/zinc/09/92/28/491099228.db2.gz SMJWVXPRYDQJIW-GXSJLCMTSA-N 1 2 223.276 0.737 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@H](O)C(F)(F)C2)c1 ZINC000630095046 363543967 /nfs/dbraw/zinc/54/39/67/363543967.db2.gz QJFQISNINJEKBJ-VIFPVBQESA-N 1 2 244.241 0.780 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@@H]1COCCO1 ZINC000450269681 202115776 /nfs/dbraw/zinc/11/57/76/202115776.db2.gz NQDBTUMTLVTVLQ-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@@H]1COCCO1 ZINC000450269681 202115781 /nfs/dbraw/zinc/11/57/81/202115781.db2.gz NQDBTUMTLVTVLQ-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO O=c1scnn1Cc1[nH+]ccn1C(F)F ZINC000123951385 358509938 /nfs/dbraw/zinc/50/99/38/358509938.db2.gz PNZKLPLRYJTDQB-UHFFFAOYSA-N 1 2 232.215 0.945 20 0 BCADLO CCNC(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000167646929 134153356 /nfs/dbraw/zinc/15/33/56/134153356.db2.gz MJBLLVYSQSOAMI-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000167646929 134153357 /nfs/dbraw/zinc/15/33/57/134153357.db2.gz MJBLLVYSQSOAMI-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000450345267 202137059 /nfs/dbraw/zinc/13/70/59/202137059.db2.gz ANZWSYYBNSGUJQ-LSYCYVAJSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000450345267 202137063 /nfs/dbraw/zinc/13/70/63/202137063.db2.gz ANZWSYYBNSGUJQ-LSYCYVAJSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000450372929 202144739 /nfs/dbraw/zinc/14/47/39/202144739.db2.gz BGYREDIWZQVJQV-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000450372929 202144742 /nfs/dbraw/zinc/14/47/42/202144742.db2.gz BGYREDIWZQVJQV-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1CF ZINC000578165186 366348206 /nfs/dbraw/zinc/34/82/06/366348206.db2.gz XEFPYRTWDLRGCV-VIFPVBQESA-N 1 2 211.240 0.844 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000054172578 363564191 /nfs/dbraw/zinc/56/41/91/363564191.db2.gz VMWKCRDRNLEBTO-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000054172578 363564196 /nfs/dbraw/zinc/56/41/96/363564196.db2.gz VMWKCRDRNLEBTO-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623336817 356728602 /nfs/dbraw/zinc/72/86/02/356728602.db2.gz GNLLLTPHQSIMQH-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623336817 356728607 /nfs/dbraw/zinc/72/86/07/356728607.db2.gz GNLLLTPHQSIMQH-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO Cc1nnc(C(=O)NCC[NH+]2CCC2)s1 ZINC000542714716 325043179 /nfs/dbraw/zinc/04/31/79/325043179.db2.gz SIYWIQWWUSOEMS-UHFFFAOYSA-N 1 2 226.305 0.282 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000355089658 356750096 /nfs/dbraw/zinc/75/00/96/356750096.db2.gz RNJIUJUHBNWNBM-JGVFFNPUSA-N 1 2 210.281 0.180 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000355089658 356750098 /nfs/dbraw/zinc/75/00/98/356750098.db2.gz RNJIUJUHBNWNBM-JGVFFNPUSA-N 1 2 210.281 0.180 20 0 BCADLO C(C[NH+]1CCOCC1)OC[C@H]1CCCO1 ZINC000152083504 356755103 /nfs/dbraw/zinc/75/51/03/356755103.db2.gz SYRAPIUZSHUBDT-LLVKDONJSA-N 1 2 215.293 0.514 20 0 BCADLO Cn1cc(-c2noc(C[NH+](C)C)n2)ccc1=O ZINC000350930578 366374946 /nfs/dbraw/zinc/37/49/46/366374946.db2.gz XSAPPKNQNXOYQZ-UHFFFAOYSA-N 1 2 234.259 0.497 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NCC1CC1 ZINC000054343297 363566637 /nfs/dbraw/zinc/56/66/37/363566637.db2.gz MNLUKKLXCMNCMW-NWDGAFQWSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NCC1CC1 ZINC000054343297 363566640 /nfs/dbraw/zinc/56/66/40/363566640.db2.gz MNLUKKLXCMNCMW-NWDGAFQWSA-N 1 2 238.331 0.766 20 0 BCADLO CC[N@H+](Cc1n[nH]cc1C)[C@@H]1CCNC1=O ZINC000356317820 356792934 /nfs/dbraw/zinc/79/29/34/356792934.db2.gz LDBGRPZLPHQBKZ-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC[N@@H+](Cc1n[nH]cc1C)[C@@H]1CCNC1=O ZINC000356317820 356792937 /nfs/dbraw/zinc/79/29/37/356792937.db2.gz LDBGRPZLPHQBKZ-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CCC(F)(F)C[NH+]1CCC(O)(CO)CC1 ZINC000639814111 356793210 /nfs/dbraw/zinc/79/32/10/356793210.db2.gz NKSHACGDRCOROY-UHFFFAOYSA-N 1 2 223.263 0.851 20 0 BCADLO CCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623362665 356812353 /nfs/dbraw/zinc/81/23/53/356812353.db2.gz DVEXOQQHDXGINH-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623362665 356812357 /nfs/dbraw/zinc/81/23/57/356812357.db2.gz DVEXOQQHDXGINH-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CO[C@H]1C[N@H+](CCn2nc(C)cc2C)CCO1 ZINC000639832111 356817018 /nfs/dbraw/zinc/81/70/18/356817018.db2.gz BKPDWQJOIYTNRE-GFCCVEGCSA-N 1 2 239.319 0.805 20 0 BCADLO CO[C@H]1C[N@@H+](CCn2nc(C)cc2C)CCO1 ZINC000639832111 356817022 /nfs/dbraw/zinc/81/70/22/356817022.db2.gz BKPDWQJOIYTNRE-GFCCVEGCSA-N 1 2 239.319 0.805 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000639833022 356819428 /nfs/dbraw/zinc/81/94/28/356819428.db2.gz FKWKYGHFZFWOFZ-RYUDHWBXSA-N 1 2 247.335 0.325 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000639833022 356819433 /nfs/dbraw/zinc/81/94/33/356819433.db2.gz FKWKYGHFZFWOFZ-RYUDHWBXSA-N 1 2 247.335 0.325 20 0 BCADLO CO[C@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000639836830 356823637 /nfs/dbraw/zinc/82/36/37/356823637.db2.gz JTVGEEQSAOVQSH-LLVKDONJSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000639836830 356823639 /nfs/dbraw/zinc/82/36/39/356823639.db2.gz JTVGEEQSAOVQSH-LLVKDONJSA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCO1 ZINC000639838003 356828609 /nfs/dbraw/zinc/82/86/09/356828609.db2.gz TWPCJYLVZQXJNY-LLVKDONJSA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCO1 ZINC000639838003 356828610 /nfs/dbraw/zinc/82/86/10/356828610.db2.gz TWPCJYLVZQXJNY-LLVKDONJSA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ccc(CO)cc2)CCO1 ZINC000639838424 356829539 /nfs/dbraw/zinc/82/95/39/356829539.db2.gz PULUZVLVMQNLJN-CYBMUJFWSA-N 1 2 237.299 0.984 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CCO1 ZINC000639838424 356829541 /nfs/dbraw/zinc/82/95/41/356829541.db2.gz PULUZVLVMQNLJN-CYBMUJFWSA-N 1 2 237.299 0.984 20 0 BCADLO CO[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000639838451 356829815 /nfs/dbraw/zinc/82/98/15/356829815.db2.gz QBBDRINXFKFKDH-NEPJUHHUSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000639838451 356829818 /nfs/dbraw/zinc/82/98/18/356829818.db2.gz QBBDRINXFKFKDH-NEPJUHHUSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000639837481 356830244 /nfs/dbraw/zinc/83/02/44/356830244.db2.gz YPYNDYRWRTVGPA-ZJUUUORDSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000639837481 356830247 /nfs/dbraw/zinc/83/02/47/356830247.db2.gz YPYNDYRWRTVGPA-ZJUUUORDSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cncs2)CCO1 ZINC000639839630 356831104 /nfs/dbraw/zinc/83/11/04/356831104.db2.gz SFNCGAUDTWZNAT-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cncs2)CCO1 ZINC000639839630 356831108 /nfs/dbraw/zinc/83/11/08/356831108.db2.gz SFNCGAUDTWZNAT-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@H]1C[N@H+](CCCN2CCOCC2)CCO1 ZINC000639840008 356831868 /nfs/dbraw/zinc/83/18/68/356831868.db2.gz UBLYMFZRZSGBGS-GFCCVEGCSA-N 1 2 244.335 0.013 20 0 BCADLO CO[C@H]1C[N@@H+](CCCN2CCOCC2)CCO1 ZINC000639840008 356831872 /nfs/dbraw/zinc/83/18/72/356831872.db2.gz UBLYMFZRZSGBGS-GFCCVEGCSA-N 1 2 244.335 0.013 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356046219 356785894 /nfs/dbraw/zinc/78/58/94/356785894.db2.gz MQXVEMWWFUMYJD-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356046219 356785897 /nfs/dbraw/zinc/78/58/97/356785897.db2.gz MQXVEMWWFUMYJD-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO O=C(COCC(F)F)NCCCn1cc[nH+]c1 ZINC000623365893 356841087 /nfs/dbraw/zinc/84/10/87/356841087.db2.gz HURIOSPWNFGNOE-UHFFFAOYSA-N 1 2 247.245 0.671 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)CO ZINC000352051785 538712343 /nfs/dbraw/zinc/71/23/43/538712343.db2.gz FLLWOFCKMDFBFL-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)CO ZINC000352051785 538712354 /nfs/dbraw/zinc/71/23/54/538712354.db2.gz FLLWOFCKMDFBFL-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO Cn1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1=O ZINC000352052729 538712741 /nfs/dbraw/zinc/71/27/41/538712741.db2.gz NKBZIKIOGYQDBY-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO C[C@H]1OCC[N@H+](CCCCS(C)(=O)=O)[C@H]1C ZINC000155962671 538747008 /nfs/dbraw/zinc/74/70/08/538747008.db2.gz OGYGYJJZPAJTRF-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1OCC[N@@H+](CCCCS(C)(=O)=O)[C@H]1C ZINC000155962671 538747010 /nfs/dbraw/zinc/74/70/10/538747010.db2.gz OGYGYJJZPAJTRF-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCOCC2)[nH]1 ZINC000368393013 356971193 /nfs/dbraw/zinc/97/11/93/356971193.db2.gz IKUDPJSRMPIAAQ-UHFFFAOYSA-N 1 2 210.281 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCCOCC2)[nH]1 ZINC000368393013 356971198 /nfs/dbraw/zinc/97/11/98/356971198.db2.gz IKUDPJSRMPIAAQ-UHFFFAOYSA-N 1 2 210.281 0.589 20 0 BCADLO CCOC1(C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000450580850 202203968 /nfs/dbraw/zinc/20/39/68/202203968.db2.gz NLXRUHWJLODHJT-UHFFFAOYSA-N 1 2 247.302 0.979 20 0 BCADLO Cc1cc(N[C@H]2CCNC(=O)CC2)c(C#N)c[nH+]1 ZINC000399480423 356955210 /nfs/dbraw/zinc/95/52/10/356955210.db2.gz ZCKOUCQPJVJQHF-LLVKDONJSA-N 1 2 244.298 0.764 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](F)C1 ZINC000450605425 202209033 /nfs/dbraw/zinc/20/90/33/202209033.db2.gz ZMZZSUKIIOYOPJ-ZETCQYMHSA-N 1 2 221.239 0.912 20 0 BCADLO COc1cc[nH+]c(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000346352613 357030133 /nfs/dbraw/zinc/03/01/33/357030133.db2.gz FRCAGPMAUOFUHI-ONGXEEELSA-N 1 2 240.278 0.995 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000389627263 357005555 /nfs/dbraw/zinc/00/55/55/357005555.db2.gz KXNSYCVVOYBEFE-BDAKNGLRSA-N 1 2 211.265 0.016 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000389627265 357005595 /nfs/dbraw/zinc/00/55/95/357005595.db2.gz KXNSYCVVOYBEFE-DTWKUNHWSA-N 1 2 211.265 0.016 20 0 BCADLO COCC1(CC(=O)NCc2c[nH+]cn2C)CC1 ZINC000582361433 357105352 /nfs/dbraw/zinc/10/53/52/357105352.db2.gz DDGNWORAMIKAAZ-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cncnc1 ZINC000355257978 538791628 /nfs/dbraw/zinc/79/16/28/538791628.db2.gz UONMOWCBNQIXBB-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC(F)F ZINC000355262768 538791928 /nfs/dbraw/zinc/79/19/28/538791928.db2.gz HGQXCYBYCCXZKV-UHFFFAOYSA-N 1 2 219.191 0.276 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)CO1 ZINC000355289730 538793860 /nfs/dbraw/zinc/79/38/60/538793860.db2.gz KNCRIPZTOAVJRV-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO c1ncc(C[N@@H+]2CCOC3(CCOCC3)C2)cn1 ZINC000355067577 538787951 /nfs/dbraw/zinc/78/79/51/538787951.db2.gz LPMJWVFGIDMHKL-UHFFFAOYSA-N 1 2 249.314 0.858 20 0 BCADLO c1ncc(C[N@H+]2CCOC3(CCOCC3)C2)cn1 ZINC000355067577 538787953 /nfs/dbraw/zinc/78/79/53/538787953.db2.gz LPMJWVFGIDMHKL-UHFFFAOYSA-N 1 2 249.314 0.858 20 0 BCADLO COc1ccnc(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000582357812 357100762 /nfs/dbraw/zinc/10/07/62/357100762.db2.gz PXNDOKFJMDYJDR-UHFFFAOYSA-N 1 2 235.287 0.397 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](O)C2(CC2)C1 ZINC000582439329 357158098 /nfs/dbraw/zinc/15/80/98/357158098.db2.gz PHPQLUZRFOUBCY-SECBINFHSA-N 1 2 235.287 0.326 20 0 BCADLO COCc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000582380395 357121639 /nfs/dbraw/zinc/12/16/39/357121639.db2.gz YRIWZBRSACVGME-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO CC[C@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000356756704 538814801 /nfs/dbraw/zinc/81/48/01/538814801.db2.gz XYHNSYAGLKIRNZ-VIFPVBQESA-N 1 2 211.265 0.461 20 0 BCADLO O=C(Nc1ccncc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639890916 357212526 /nfs/dbraw/zinc/21/25/26/357212526.db2.gz CWAZDSOGSNNEHF-SNVBAGLBSA-N 1 2 243.270 0.446 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)CCOC1 ZINC000356754446 538815501 /nfs/dbraw/zinc/81/55/01/538815501.db2.gz LVOZYMGEZORNSU-NSHDSACASA-N 1 2 223.276 0.463 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cncc(O)c1 ZINC000356802510 538817593 /nfs/dbraw/zinc/81/75/93/538817593.db2.gz PHJCRKOCYFCGPO-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)CCOC1 ZINC000356754445 538816147 /nfs/dbraw/zinc/81/61/47/538816147.db2.gz LVOZYMGEZORNSU-LLVKDONJSA-N 1 2 223.276 0.463 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000639894384 357230746 /nfs/dbraw/zinc/23/07/46/357230746.db2.gz OWLGVQHPVHMPQC-JTQLQIEISA-N 1 2 221.260 0.908 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000639894384 357230750 /nfs/dbraw/zinc/23/07/50/357230750.db2.gz OWLGVQHPVHMPQC-JTQLQIEISA-N 1 2 221.260 0.908 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000639901178 357286682 /nfs/dbraw/zinc/28/66/82/357286682.db2.gz VKKBUAWDBINCTA-PHIMTYICSA-N 1 2 247.298 0.922 20 0 BCADLO Cn1c[nH+]cc1CNc1ncnc2ncccc21 ZINC000356965524 538821168 /nfs/dbraw/zinc/82/11/68/538821168.db2.gz RDTZLVGHRPMHQM-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO Cn1cc[nH+]c1CN1CC2(C1)CCCO2 ZINC000628427256 357257060 /nfs/dbraw/zinc/25/70/60/357257060.db2.gz POXRSUFDVMDWSU-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC1(C)COC1 ZINC000639899700 357278593 /nfs/dbraw/zinc/27/85/93/357278593.db2.gz LDXWTLPFECZDTO-UHFFFAOYSA-N 1 2 221.260 0.722 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050113658 357378310 /nfs/dbraw/zinc/37/83/10/357378310.db2.gz HGGLYGJUGOWROU-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050113658 357378311 /nfs/dbraw/zinc/37/83/11/357378311.db2.gz HGGLYGJUGOWROU-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1cnc(C[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000582543795 357330253 /nfs/dbraw/zinc/33/02/53/357330253.db2.gz IHGAZRXTOZNEGL-UHFFFAOYSA-N 1 2 223.276 0.544 20 0 BCADLO Cn1cnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000582792356 357396848 /nfs/dbraw/zinc/39/68/48/357396848.db2.gz YPDAJRGPKGJXQX-UHFFFAOYSA-N 1 2 234.263 0.203 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)COC(F)F ZINC000582836396 357412192 /nfs/dbraw/zinc/41/21/92/357412192.db2.gz FUNWPVFOGCTWPS-UHFFFAOYSA-N 1 2 233.218 0.318 20 0 BCADLO C[N@H+](Cc1ccccc1F)[C@H]1CC(=O)NC1=O ZINC000582913051 357434105 /nfs/dbraw/zinc/43/41/05/357434105.db2.gz RLRUUOGXFYKXLE-JTQLQIEISA-N 1 2 236.246 0.673 20 0 BCADLO C[N@@H+](Cc1ccccc1F)[C@H]1CC(=O)NC1=O ZINC000582913051 357434110 /nfs/dbraw/zinc/43/41/10/357434110.db2.gz RLRUUOGXFYKXLE-JTQLQIEISA-N 1 2 236.246 0.673 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000582937944 357439985 /nfs/dbraw/zinc/43/99/85/357439985.db2.gz PJBFYSFBCZIZRO-NSHDSACASA-N 1 2 249.314 0.911 20 0 BCADLO CO[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000395949383 357461163 /nfs/dbraw/zinc/46/11/63/357461163.db2.gz JPKPSJDACAEWKD-VXGBXAGGSA-N 1 2 247.298 0.769 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N(CCO)CC1CC1 ZINC000359243543 538849885 /nfs/dbraw/zinc/84/98/85/538849885.db2.gz MXBOWBKUKBGSGY-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N(CCO)CC1CC1 ZINC000359243543 538849896 /nfs/dbraw/zinc/84/98/96/538849896.db2.gz MXBOWBKUKBGSGY-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO Cc1cc(C[C@H](C)NC(=O)Cn2cc[nH+]c2)[nH]n1 ZINC000583066738 357471942 /nfs/dbraw/zinc/47/19/42/357471942.db2.gz IWMUOEZTMNDHQG-VIFPVBQESA-N 1 2 247.302 0.662 20 0 BCADLO Cc1cc(C[C@H](C)NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000583066738 357471946 /nfs/dbraw/zinc/47/19/46/357471946.db2.gz IWMUOEZTMNDHQG-VIFPVBQESA-N 1 2 247.302 0.662 20 0 BCADLO Cn1cc(CCC(=O)NCCn2cc[nH+]c2)cn1 ZINC000055010016 363583477 /nfs/dbraw/zinc/58/34/77/363583477.db2.gz DPGGEVUEPDRLCM-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO O=S1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000188639136 357569769 /nfs/dbraw/zinc/56/97/69/357569769.db2.gz QQNDNOOUHACHJF-GFCCVEGCSA-N 1 2 245.388 0.992 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000158843558 538869469 /nfs/dbraw/zinc/86/94/69/538869469.db2.gz MLWYIDICNCCIPE-VIFPVBQESA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000158843558 538869473 /nfs/dbraw/zinc/86/94/73/538869473.db2.gz MLWYIDICNCCIPE-VIFPVBQESA-N 1 2 224.308 0.570 20 0 BCADLO CCOCCC[N@H+](CCO)CC(F)F ZINC000231346338 357614282 /nfs/dbraw/zinc/61/42/82/357614282.db2.gz WNXWKRQWPTUHNT-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO CCOCCC[N@@H+](CCO)CC(F)F ZINC000231346338 357614285 /nfs/dbraw/zinc/61/42/85/357614285.db2.gz WNXWKRQWPTUHNT-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO CCCN1CCC[N@@H+]([C@@H](CC)C(N)=O)CC1=O ZINC000189427998 357640592 /nfs/dbraw/zinc/64/05/92/357640592.db2.gz NXNWKSMTZFLKTG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CCCN1CCC[N@H+]([C@@H](CC)C(N)=O)CC1=O ZINC000189427998 357640597 /nfs/dbraw/zinc/64/05/97/357640597.db2.gz NXNWKSMTZFLKTG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCSC ZINC000189539820 357642793 /nfs/dbraw/zinc/64/27/93/357642793.db2.gz RDQPJSISTLDGBQ-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCSC ZINC000189539820 357642796 /nfs/dbraw/zinc/64/27/96/357642796.db2.gz RDQPJSISTLDGBQ-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000189650158 357654526 /nfs/dbraw/zinc/65/45/26/357654526.db2.gz FVFRNGLAEFHHEZ-VXGBXAGGSA-N 1 2 239.363 0.539 20 0 BCADLO O=C(CCOCC(F)F)NCCc1[nH]cc[nH+]1 ZINC000232336145 357660126 /nfs/dbraw/zinc/66/01/26/357660126.db2.gz AWFZWGRXCXHXHM-UHFFFAOYSA-N 1 2 247.245 0.740 20 0 BCADLO CC(C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000232559691 357670995 /nfs/dbraw/zinc/67/09/95/357670995.db2.gz MDGVIOGKFYQQGD-UHFFFAOYSA-N 1 2 212.293 0.064 20 0 BCADLO C[C@H](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000397734087 357674246 /nfs/dbraw/zinc/67/42/46/357674246.db2.gz RNRWLBLKDDLAHI-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189332738 357632110 /nfs/dbraw/zinc/63/21/10/357632110.db2.gz DOXVVSWPMKTMHT-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189332738 357632113 /nfs/dbraw/zinc/63/21/13/357632113.db2.gz DOXVVSWPMKTMHT-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000583243769 357693102 /nfs/dbraw/zinc/69/31/02/357693102.db2.gz KFWUVMSUZIKHFY-KCJUWKMLSA-N 1 2 228.267 0.568 20 0 BCADLO CN1C(=O)C[C@@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000583243769 357693104 /nfs/dbraw/zinc/69/31/04/357693104.db2.gz KFWUVMSUZIKHFY-KCJUWKMLSA-N 1 2 228.267 0.568 20 0 BCADLO CSC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000190359215 357703016 /nfs/dbraw/zinc/70/30/16/357703016.db2.gz SUGAPJJPHMQILY-UHFFFAOYSA-N 1 2 225.317 0.964 20 0 BCADLO CCn1cc[nH+]c1CN1CCCN(C)C(=O)C1 ZINC000191071287 357746192 /nfs/dbraw/zinc/74/61/92/357746192.db2.gz GKAIPLGOMKHUIH-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCOC(C)(C)C2)CCO1 ZINC000191383089 357767303 /nfs/dbraw/zinc/76/73/03/357767303.db2.gz AFWXIOMBGNGNGW-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCOC(C)(C)C2)CCO1 ZINC000191383089 357767308 /nfs/dbraw/zinc/76/73/08/357767308.db2.gz AFWXIOMBGNGNGW-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO COc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000234996685 357842784 /nfs/dbraw/zinc/84/27/84/357842784.db2.gz PHVCICKSOZXFOY-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)CCCO1 ZINC000192708555 357848280 /nfs/dbraw/zinc/84/82/80/357848280.db2.gz LZCIYAKMHBIEHD-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)CCCO1 ZINC000192708555 357848284 /nfs/dbraw/zinc/84/82/84/357848284.db2.gz LZCIYAKMHBIEHD-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517901 357849561 /nfs/dbraw/zinc/84/95/61/357849561.db2.gz KTBAQKIBJBIIRW-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000064517901 357849566 /nfs/dbraw/zinc/84/95/66/357849566.db2.gz KTBAQKIBJBIIRW-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](C)S(N)(=O)=O ZINC000398272679 357882172 /nfs/dbraw/zinc/88/21/72/357882172.db2.gz QXKZUYWSMZRDFT-ZETCQYMHSA-N 1 2 245.304 0.179 20 0 BCADLO CC(C)(NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000583818326 357961426 /nfs/dbraw/zinc/96/14/26/357961426.db2.gz XGRGKFLEQGQPIQ-QMMMGPOBSA-N 1 2 223.276 0.940 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)no1 ZINC000639935329 357935206 /nfs/dbraw/zinc/93/52/06/357935206.db2.gz FMUSJWDZQCDBDU-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)no1 ZINC000639935329 357935207 /nfs/dbraw/zinc/93/52/07/357935207.db2.gz FMUSJWDZQCDBDU-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO CC(=O)NCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583756622 357935817 /nfs/dbraw/zinc/93/58/17/357935817.db2.gz KLXVUCHSCGIOOL-SECBINFHSA-N 1 2 238.291 0.087 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ncccn1 ZINC000639938606 357944964 /nfs/dbraw/zinc/94/49/64/357944964.db2.gz FGXQEPARPAIXOQ-NXEZZACHSA-N 1 2 207.277 0.822 20 0 BCADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ncccn1 ZINC000639938606 357944968 /nfs/dbraw/zinc/94/49/68/357944968.db2.gz FGXQEPARPAIXOQ-NXEZZACHSA-N 1 2 207.277 0.822 20 0 BCADLO CCc1noc(C[NH2+][C@@](C)(CO)COC)n1 ZINC000639950344 357972846 /nfs/dbraw/zinc/97/28/46/357972846.db2.gz WWOXGEMJZCSUKC-JTQLQIEISA-N 1 2 229.280 0.119 20 0 BCADLO CC[C@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000219116326 357978741 /nfs/dbraw/zinc/97/87/41/357978741.db2.gz GYAGUGYSXSZBPU-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000219116326 357978743 /nfs/dbraw/zinc/97/87/43/357978743.db2.gz GYAGUGYSXSZBPU-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO Cn1cnnc1C[N@H+](CCO)Cc1ccccc1 ZINC000103140228 357994352 /nfs/dbraw/zinc/99/43/52/357994352.db2.gz CCUAGWGEXKJGRU-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1cnnc1C[N@@H+](CCO)Cc1ccccc1 ZINC000103140228 357994355 /nfs/dbraw/zinc/99/43/55/357994355.db2.gz CCUAGWGEXKJGRU-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[C@H](C)O ZINC000584478387 357996136 /nfs/dbraw/zinc/99/61/36/357996136.db2.gz QWNRNWSYHPPGKZ-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[C@H](C)O ZINC000584478387 357996139 /nfs/dbraw/zinc/99/61/39/357996139.db2.gz QWNRNWSYHPPGKZ-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604444 358015855 /nfs/dbraw/zinc/01/58/55/358015855.db2.gz SIZRZDFCKNVUQZ-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604444 358015859 /nfs/dbraw/zinc/01/58/59/358015859.db2.gz SIZRZDFCKNVUQZ-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NCC(C)C ZINC000639966763 358021045 /nfs/dbraw/zinc/02/10/45/358021045.db2.gz GBNKPMZOIUREJU-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NCC(C)C ZINC000639966763 358021047 /nfs/dbraw/zinc/02/10/47/358021047.db2.gz GBNKPMZOIUREJU-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NCC1CC1 ZINC000639969248 358021725 /nfs/dbraw/zinc/02/17/25/358021725.db2.gz XMWDLVCOPDFYMF-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NCC1CC1 ZINC000639969248 358021728 /nfs/dbraw/zinc/02/17/28/358021728.db2.gz XMWDLVCOPDFYMF-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC[C@H]1CCNC1=O ZINC000639970660 358022915 /nfs/dbraw/zinc/02/29/15/358022915.db2.gz HZQXQGFXXXFVPM-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@H]1CCNC1=O ZINC000639970660 358022917 /nfs/dbraw/zinc/02/29/17/358022917.db2.gz HZQXQGFXXXFVPM-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(CCF)CC1 ZINC000639988934 358028040 /nfs/dbraw/zinc/02/80/40/358028040.db2.gz OHFGGWFVEHYACC-UHFFFAOYSA-N 1 2 227.287 0.782 20 0 BCADLO O=C(Nc1cncnc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639991807 358039623 /nfs/dbraw/zinc/03/96/23/358039623.db2.gz XZRBILPSMAGLMS-QMMMGPOBSA-N 1 2 244.258 0.420 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H](C)O)c(C)c[nH+]1 ZINC000584566284 358060665 /nfs/dbraw/zinc/06/06/65/358060665.db2.gz XHRXTHYLWDWILH-SECBINFHSA-N 1 2 223.276 0.623 20 0 BCADLO CC[N@@H+](Cc1ncnn1CC(F)F)C[C@H](C)O ZINC000352193541 535394579 /nfs/dbraw/zinc/39/45/79/535394579.db2.gz CZQSVEBTIKLVIT-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO CC[N@H+](Cc1ncnn1CC(F)F)C[C@H](C)O ZINC000352193541 535394584 /nfs/dbraw/zinc/39/45/84/535394584.db2.gz CZQSVEBTIKLVIT-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861517 134254062 /nfs/dbraw/zinc/25/40/62/134254062.db2.gz QIENQNPUHBVRSB-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861517 134254063 /nfs/dbraw/zinc/25/40/63/134254063.db2.gz QIENQNPUHBVRSB-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000170793133 134254277 /nfs/dbraw/zinc/25/42/77/134254277.db2.gz JINAZOXVJYJSCN-UHFFFAOYSA-N 1 2 238.291 0.515 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000170793133 134254278 /nfs/dbraw/zinc/25/42/78/134254278.db2.gz JINAZOXVJYJSCN-UHFFFAOYSA-N 1 2 238.291 0.515 20 0 BCADLO Cc1cc(NC[C@@H](O)CO)nc(C(C)C)[nH+]1 ZINC000085245382 134254804 /nfs/dbraw/zinc/25/48/04/134254804.db2.gz LEHOVVGOPJXKNU-SECBINFHSA-N 1 2 225.292 0.674 20 0 BCADLO C[C@@H]1CCC[N@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000640058377 358148333 /nfs/dbraw/zinc/14/83/33/358148333.db2.gz FKDJUZPARSLGJN-MWLCHTKSSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000640058377 358148336 /nfs/dbraw/zinc/14/83/36/358148336.db2.gz FKDJUZPARSLGJN-MWLCHTKSSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000640035820 358136178 /nfs/dbraw/zinc/13/61/78/358136178.db2.gz NKNFOHJWPCNBMJ-LLVKDONJSA-N 1 2 224.308 0.850 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000640035820 358136182 /nfs/dbraw/zinc/13/61/82/358136182.db2.gz NKNFOHJWPCNBMJ-LLVKDONJSA-N 1 2 224.308 0.850 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617744578 491123911 /nfs/dbraw/zinc/12/39/11/491123911.db2.gz YOYNHDKCAQOITD-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617744578 491123912 /nfs/dbraw/zinc/12/39/12/491123912.db2.gz YOYNHDKCAQOITD-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450625647 202216468 /nfs/dbraw/zinc/21/64/68/202216468.db2.gz SLIWUSRHHAMYOU-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450625647 202216471 /nfs/dbraw/zinc/21/64/71/202216471.db2.gz SLIWUSRHHAMYOU-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450625645 202216559 /nfs/dbraw/zinc/21/65/59/202216559.db2.gz SLIWUSRHHAMYOU-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450625645 202216562 /nfs/dbraw/zinc/21/65/62/202216562.db2.gz SLIWUSRHHAMYOU-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450625646 202216764 /nfs/dbraw/zinc/21/67/64/202216764.db2.gz SLIWUSRHHAMYOU-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450625646 202216766 /nfs/dbraw/zinc/21/67/66/202216766.db2.gz SLIWUSRHHAMYOU-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000584722774 358159137 /nfs/dbraw/zinc/15/91/37/358159137.db2.gz QKRZFLXOTVPVTR-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO Cn1ccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000074949649 491124473 /nfs/dbraw/zinc/12/44/73/491124473.db2.gz LPIWAWKRYDIUBX-UHFFFAOYSA-N 1 2 237.303 0.087 20 0 BCADLO C[C@H](CC(=O)N(C)c1nnnn1C)n1cc[nH+]c1 ZINC000584842680 358200146 /nfs/dbraw/zinc/20/01/46/358200146.db2.gz CXNJFAHBPIOANT-MRVPVSSYSA-N 1 2 249.278 0.021 20 0 BCADLO COCCC[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610826740 358206684 /nfs/dbraw/zinc/20/66/84/358206684.db2.gz OHLPSPGNFHVFKN-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO COCCC[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610826740 358206688 /nfs/dbraw/zinc/20/66/88/358206688.db2.gz OHLPSPGNFHVFKN-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO CC[C@@H](O)C[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829183 358210913 /nfs/dbraw/zinc/21/09/13/358210913.db2.gz VRLQBXCFKQQHHN-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829183 358210916 /nfs/dbraw/zinc/21/09/16/358210916.db2.gz VRLQBXCFKQQHHN-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@H](O)C[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829186 358210939 /nfs/dbraw/zinc/21/09/39/358210939.db2.gz VRLQBXCFKQQHHN-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@H](O)C[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000610829186 358210942 /nfs/dbraw/zinc/21/09/42/358210942.db2.gz VRLQBXCFKQQHHN-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CC(C)[C@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450692314 202234831 /nfs/dbraw/zinc/23/48/31/202234831.db2.gz ABXLWCJSYSZQFI-WDEREUQCSA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)[C@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450692314 202234833 /nfs/dbraw/zinc/23/48/33/202234833.db2.gz ABXLWCJSYSZQFI-WDEREUQCSA-N 1 2 249.376 0.776 20 0 BCADLO Cn1cc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000547539525 325371226 /nfs/dbraw/zinc/37/12/26/325371226.db2.gz KCOIGXPRLPEAEW-UHFFFAOYSA-N 1 2 219.248 0.335 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2cnnc2C1 ZINC000227129024 358350661 /nfs/dbraw/zinc/35/06/61/358350661.db2.gz FCBCHMCVBLEXPE-GHMZBOCLSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2cnnc2C1 ZINC000227129024 358350664 /nfs/dbraw/zinc/35/06/64/358350664.db2.gz FCBCHMCVBLEXPE-GHMZBOCLSA-N 1 2 236.319 0.645 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[C@@H](C)O ZINC000227851989 358364425 /nfs/dbraw/zinc/36/44/25/358364425.db2.gz JNUJTCUBTJITOB-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[C@@H](C)O ZINC000227851989 358364428 /nfs/dbraw/zinc/36/44/28/358364428.db2.gz JNUJTCUBTJITOB-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(F)(F)CO ZINC000228824868 358386272 /nfs/dbraw/zinc/38/62/72/358386272.db2.gz IYAGTQGYUFTZMN-UHFFFAOYSA-N 1 2 234.206 0.107 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(F)(F)CO ZINC000228824868 358386275 /nfs/dbraw/zinc/38/62/75/358386275.db2.gz IYAGTQGYUFTZMN-UHFFFAOYSA-N 1 2 234.206 0.107 20 0 BCADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)C[C@H]1F ZINC000399498936 358450463 /nfs/dbraw/zinc/45/04/63/358450463.db2.gz XGXDMOCDGUDRAO-GMSGAONNSA-N 1 2 211.240 0.817 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCCOC ZINC000610999115 358424310 /nfs/dbraw/zinc/42/43/10/358424310.db2.gz WPFNHEBJSBLRJC-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCCOC ZINC000610999115 358424313 /nfs/dbraw/zinc/42/43/13/358424313.db2.gz WPFNHEBJSBLRJC-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C1CC1 ZINC000175247300 134286263 /nfs/dbraw/zinc/28/62/63/134286263.db2.gz YNHCRXZPXMWXES-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1nccnc1N ZINC000048963272 358664510 /nfs/dbraw/zinc/66/45/10/358664510.db2.gz YSCSRMKWKZXZPR-MRVPVSSYSA-N 1 2 246.274 0.074 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000050064035 358711813 /nfs/dbraw/zinc/71/18/13/358711813.db2.gz MIRQENFGGYNWHC-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000050064035 358711815 /nfs/dbraw/zinc/71/18/15/358711815.db2.gz MIRQENFGGYNWHC-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000351920617 535435029 /nfs/dbraw/zinc/43/50/29/535435029.db2.gz DLJAXDMUXPAYQA-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO CCn1cc[nH+]c1CNC(C)(C)C(=O)OC ZINC000051922699 358768442 /nfs/dbraw/zinc/76/84/42/358768442.db2.gz MFSGEYVGEXDBDE-UHFFFAOYSA-N 1 2 225.292 0.944 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000134000554 358775200 /nfs/dbraw/zinc/77/52/00/358775200.db2.gz INXNSOGAQPXYCU-NQBHXWOUSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000134000554 358775202 /nfs/dbraw/zinc/77/52/02/358775202.db2.gz INXNSOGAQPXYCU-NQBHXWOUSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCO2)n1C ZINC000052441933 358783001 /nfs/dbraw/zinc/78/30/01/358783001.db2.gz MKHJLSCDRLNBRW-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCO2)n1C ZINC000052441933 358783004 /nfs/dbraw/zinc/78/30/04/358783004.db2.gz MKHJLSCDRLNBRW-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395366 358860507 /nfs/dbraw/zinc/86/05/07/358860507.db2.gz LJIFZIYCJJZAFW-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395366 358860511 /nfs/dbraw/zinc/86/05/11/358860511.db2.gz LJIFZIYCJJZAFW-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+][C@H](C)C(F)F ZINC000308636149 491137459 /nfs/dbraw/zinc/13/74/59/491137459.db2.gz CKSKAFLTYWYDDQ-RNFRBKRXSA-N 1 2 204.224 0.910 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(F)F ZINC000308636148 491137471 /nfs/dbraw/zinc/13/74/71/491137471.db2.gz CKSKAFLTYWYDDQ-NKWVEPMBSA-N 1 2 204.224 0.910 20 0 BCADLO COCCCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000578248037 366471018 /nfs/dbraw/zinc/47/10/18/366471018.db2.gz RWJOQZGQKIWJRT-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO COCCCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000578248037 366471025 /nfs/dbraw/zinc/47/10/25/366471025.db2.gz RWJOQZGQKIWJRT-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO CC(C)(O)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000578274105 366474127 /nfs/dbraw/zinc/47/41/27/366474127.db2.gz ZRGHURVDKFBUSF-UHFFFAOYSA-N 1 2 237.303 0.818 20 0 BCADLO O=C1C[N@H+](CCCOCC(F)(F)F)CCN1 ZINC000053602894 358835978 /nfs/dbraw/zinc/83/59/78/358835978.db2.gz OAAFKPMKHYBXHQ-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO O=C1C[N@@H+](CCCOCC(F)(F)F)CCN1 ZINC000053602894 358835979 /nfs/dbraw/zinc/83/59/79/358835979.db2.gz OAAFKPMKHYBXHQ-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135521188 358842061 /nfs/dbraw/zinc/84/20/61/358842061.db2.gz RJYGMKUDSUUREX-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135521188 358842063 /nfs/dbraw/zinc/84/20/63/358842063.db2.gz RJYGMKUDSUUREX-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO Cn1cc(C[NH2+]Cc2cccc3c2OCO3)nn1 ZINC000054860832 358877772 /nfs/dbraw/zinc/87/77/72/358877772.db2.gz CHEFVTCCZZQITA-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO CCCCNC(=O)C[N@H+](CCC)CC(=O)NC ZINC000056509107 358899193 /nfs/dbraw/zinc/89/91/93/358899193.db2.gz ZDKKVALOKBRVMD-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CCCCNC(=O)C[N@@H+](CCC)CC(=O)NC ZINC000056509107 358899196 /nfs/dbraw/zinc/89/91/96/358899196.db2.gz ZDKKVALOKBRVMD-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](C)n1cncn1)c1[nH]cc[nH+]1 ZINC000140513066 358922457 /nfs/dbraw/zinc/92/24/57/358922457.db2.gz IHIUKVINXVAHHD-RKDXNWHRSA-N 1 2 248.290 0.830 20 0 BCADLO CCOC(=O)C[N@H+](C)C1(COC)CC1 ZINC000611179422 358926802 /nfs/dbraw/zinc/92/68/02/358926802.db2.gz ZFXYTOSGDLHZIR-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](C)C1(COC)CC1 ZINC000611179422 358926807 /nfs/dbraw/zinc/92/68/07/358926807.db2.gz ZFXYTOSGDLHZIR-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO COCCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000177781530 134300064 /nfs/dbraw/zinc/30/00/64/134300064.db2.gz KTGVTPCDPAMIRH-VIFPVBQESA-N 1 2 223.276 0.523 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000618716741 359023982 /nfs/dbraw/zinc/02/39/82/359023982.db2.gz ZEXUZCOCRAGKFS-ZWNOBZJWSA-N 1 2 249.314 0.458 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCCCO1 ZINC000069864306 359036043 /nfs/dbraw/zinc/03/60/43/359036043.db2.gz XAJMDMZHHTWRBV-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000069864306 359036045 /nfs/dbraw/zinc/03/60/45/359036045.db2.gz XAJMDMZHHTWRBV-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nccn1C ZINC000071138990 359072771 /nfs/dbraw/zinc/07/27/71/359072771.db2.gz XUWBZFHSZZIFIB-VHSXEESVSA-N 1 2 238.335 0.813 20 0 BCADLO CCn1ccnc(NCc2[nH+]ccn2C)c1=O ZINC000071274333 359074970 /nfs/dbraw/zinc/07/49/70/359074970.db2.gz ZARIRGRYNCGIRF-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cc(=O)c(O)co1 ZINC000072956770 359092740 /nfs/dbraw/zinc/09/27/40/359092740.db2.gz CPUZJCODRXVMSV-UHFFFAOYSA-N 1 2 240.259 0.041 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cc(=O)c(O)co1 ZINC000072956770 359092741 /nfs/dbraw/zinc/09/27/41/359092741.db2.gz CPUZJCODRXVMSV-UHFFFAOYSA-N 1 2 240.259 0.041 20 0 BCADLO C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)C(N)=O ZINC000073118134 359095196 /nfs/dbraw/zinc/09/51/96/359095196.db2.gz GTHMEOLFCGAMTI-MWLCHTKSSA-N 1 2 249.314 0.279 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc[nH]c1=O ZINC000070651597 359061688 /nfs/dbraw/zinc/06/16/88/359061688.db2.gz NBMNFTVYIXGZQL-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cscn1 ZINC000070798316 359064295 /nfs/dbraw/zinc/06/42/95/359064295.db2.gz LWBKPBWHPXYKQP-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246541774 359145216 /nfs/dbraw/zinc/14/52/16/359145216.db2.gz ARUWZIQKNHCBQH-RKDXNWHRSA-N 1 2 231.317 0.366 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246541774 359145222 /nfs/dbraw/zinc/14/52/22/359145222.db2.gz ARUWZIQKNHCBQH-RKDXNWHRSA-N 1 2 231.317 0.366 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246851040 359170306 /nfs/dbraw/zinc/17/03/06/359170306.db2.gz FIAKULHCFWVBJS-GMTAPVOTSA-N 1 2 242.319 0.130 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246851040 359170309 /nfs/dbraw/zinc/17/03/09/359170309.db2.gz FIAKULHCFWVBJS-GMTAPVOTSA-N 1 2 242.319 0.130 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000247154040 359197960 /nfs/dbraw/zinc/19/79/60/359197960.db2.gz ULMUIHLPTZRDQN-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000247154040 359197963 /nfs/dbraw/zinc/19/79/63/359197963.db2.gz ULMUIHLPTZRDQN-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)[C@@H](c2ccccc2)CO1 ZINC000247226994 359202436 /nfs/dbraw/zinc/20/24/36/359202436.db2.gz CZXLFSBSZJMLQU-CMPLNLGQSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)[C@@H](c2ccccc2)CO1 ZINC000247226994 359202440 /nfs/dbraw/zinc/20/24/40/359202440.db2.gz CZXLFSBSZJMLQU-CMPLNLGQSA-N 1 2 234.299 0.934 20 0 BCADLO c1[nH]c(CN2CCO[C@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000247285791 359207481 /nfs/dbraw/zinc/20/74/81/359207481.db2.gz YVNUDSFIKSYXBU-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO CO[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000613811143 363645853 /nfs/dbraw/zinc/64/58/53/363645853.db2.gz KBDCXTZEYIWRJQ-LLVKDONJSA-N 1 2 242.319 0.160 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC1(C)C ZINC000623447062 359339207 /nfs/dbraw/zinc/33/92/07/359339207.db2.gz BMNNXAGLJRCEES-NXEZZACHSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC1(C)C ZINC000623447062 359339212 /nfs/dbraw/zinc/33/92/12/359339212.db2.gz BMNNXAGLJRCEES-NXEZZACHSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+](Cc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000078633766 359341314 /nfs/dbraw/zinc/34/13/14/359341314.db2.gz LLLLNHUQYAOYKT-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO C[N@@H+](Cc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000078633766 359341316 /nfs/dbraw/zinc/34/13/16/359341316.db2.gz LLLLNHUQYAOYKT-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@H](C)CO)no1 ZINC000308897265 491139966 /nfs/dbraw/zinc/13/99/66/491139966.db2.gz ZXROOAINKPUDLV-ZETCQYMHSA-N 1 2 213.281 0.831 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611679176 359416621 /nfs/dbraw/zinc/41/66/21/359416621.db2.gz VXUPZSDPBZBBGW-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611679176 359416623 /nfs/dbraw/zinc/41/66/23/359416623.db2.gz VXUPZSDPBZBBGW-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501510 359383556 /nfs/dbraw/zinc/38/35/56/359383556.db2.gz DDWDAMZRBILBFT-PRJMDXOYSA-N 1 2 231.271 0.250 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501510 359383565 /nfs/dbraw/zinc/38/35/65/359383565.db2.gz DDWDAMZRBILBFT-PRJMDXOYSA-N 1 2 231.271 0.250 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501507 359383826 /nfs/dbraw/zinc/38/38/26/359383826.db2.gz DDWDAMZRBILBFT-BWZBUEFSSA-N 1 2 231.271 0.250 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501507 359383832 /nfs/dbraw/zinc/38/38/32/359383832.db2.gz DDWDAMZRBILBFT-BWZBUEFSSA-N 1 2 231.271 0.250 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579924 359398185 /nfs/dbraw/zinc/39/81/85/359398185.db2.gz ZWPUXEHTHPAQLZ-SSDOTTSWSA-N 1 2 223.219 0.863 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579924 359398190 /nfs/dbraw/zinc/39/81/90/359398190.db2.gz ZWPUXEHTHPAQLZ-SSDOTTSWSA-N 1 2 223.219 0.863 20 0 BCADLO C[C@@H](NC(=O)C1CC(C)(O)C1)c1[nH]cc[nH+]1 ZINC000580449067 359554827 /nfs/dbraw/zinc/55/48/27/359554827.db2.gz FHOKDUKUYQVMOT-OBEAGUGNSA-N 1 2 223.276 0.748 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2ncc(C)s2)C1 ZINC000580448984 359555082 /nfs/dbraw/zinc/55/50/82/359555082.db2.gz BKGPEOGUWUPHFH-UHFFFAOYSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1cc(N2CCNC(=O)CC2)c(C#N)c[nH+]1 ZINC000399518877 359649154 /nfs/dbraw/zinc/64/91/54/359649154.db2.gz NZLWLOVLJZOANY-UHFFFAOYSA-N 1 2 230.271 0.588 20 0 BCADLO CCNC(=O)C[NH2+]Cc1ncc(CC)s1 ZINC000309033468 491142954 /nfs/dbraw/zinc/14/29/54/491142954.db2.gz GORUKBBWZARTKZ-UHFFFAOYSA-N 1 2 227.333 0.931 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1cnn[nH]1 ZINC000450818570 202276581 /nfs/dbraw/zinc/27/65/81/202276581.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1cnn[nH]1 ZINC000450818570 202276585 /nfs/dbraw/zinc/27/65/85/202276585.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1c[nH]nn1 ZINC000450818570 202276587 /nfs/dbraw/zinc/27/65/87/202276587.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1c[nH]nn1 ZINC000450818570 202276590 /nfs/dbraw/zinc/27/65/90/202276590.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1cn[nH]n1 ZINC000450818570 202276594 /nfs/dbraw/zinc/27/65/94/202276594.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1cn[nH]n1 ZINC000450818570 202276595 /nfs/dbraw/zinc/27/65/95/202276595.db2.gz ILMXVFZETZSPQA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000628497100 359700201 /nfs/dbraw/zinc/70/02/01/359700201.db2.gz GHGMRKFUGFNCRX-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000628497100 359700203 /nfs/dbraw/zinc/70/02/03/359700203.db2.gz GHGMRKFUGFNCRX-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351953008 366547721 /nfs/dbraw/zinc/54/77/21/366547721.db2.gz ZYBFGTODQZVNDU-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351953008 366547726 /nfs/dbraw/zinc/54/77/26/366547726.db2.gz ZYBFGTODQZVNDU-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cnn[nH]1 ZINC000450979376 202325756 /nfs/dbraw/zinc/32/57/56/202325756.db2.gz ACMKRLBTTFXJHY-JQWIXIFHSA-N 1 2 235.335 0.863 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450988451 202330367 /nfs/dbraw/zinc/33/03/67/202330367.db2.gz OHVNSPHQKMPFRQ-BDAKNGLRSA-N 1 2 240.307 0.808 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450988451 202330370 /nfs/dbraw/zinc/33/03/70/202330370.db2.gz OHVNSPHQKMPFRQ-BDAKNGLRSA-N 1 2 240.307 0.808 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612448315 359856140 /nfs/dbraw/zinc/85/61/40/359856140.db2.gz VKHIKFQRPMDDQW-IUCAKERBSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@H](CO)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612448315 359856134 /nfs/dbraw/zinc/85/61/34/359856134.db2.gz VKHIKFQRPMDDQW-IUCAKERBSA-N 1 2 237.303 0.259 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NC[C@@H]1CCCO1 ZINC000451180378 202369856 /nfs/dbraw/zinc/36/98/56/202369856.db2.gz CUMKGARCBSQGIU-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC[C@@H]1CCCO1 ZINC000451180378 202369860 /nfs/dbraw/zinc/36/98/60/202369860.db2.gz CUMKGARCBSQGIU-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NC[C@H]1CCCO1 ZINC000451180380 202368944 /nfs/dbraw/zinc/36/89/44/202368944.db2.gz CUMKGARCBSQGIU-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC[C@H]1CCCO1 ZINC000451180380 202368947 /nfs/dbraw/zinc/36/89/47/202368947.db2.gz CUMKGARCBSQGIU-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451121488 202357221 /nfs/dbraw/zinc/35/72/21/202357221.db2.gz OKAJMIPAVHGVMG-LLVKDONJSA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451121488 202357223 /nfs/dbraw/zinc/35/72/23/202357223.db2.gz OKAJMIPAVHGVMG-LLVKDONJSA-N 1 2 246.282 0.100 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451121667 202358145 /nfs/dbraw/zinc/35/81/45/202358145.db2.gz SQVVLWXGUWLBIR-UHFFFAOYSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451121667 202358148 /nfs/dbraw/zinc/35/81/48/202358148.db2.gz SQVVLWXGUWLBIR-UHFFFAOYSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451120719 202358648 /nfs/dbraw/zinc/35/86/48/202358648.db2.gz NESHPLHSBWUGEI-UHFFFAOYSA-N 1 2 200.282 0.232 20 0 BCADLO CCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451120719 202358650 /nfs/dbraw/zinc/35/86/50/202358650.db2.gz NESHPLHSBWUGEI-UHFFFAOYSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)[N@H+](CC(=O)N1CCC1)C1COC1 ZINC000451119890 202358812 /nfs/dbraw/zinc/35/88/12/202358812.db2.gz HSECVJVORFEMRR-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CC(C)[N@@H+](CC(=O)N1CCC1)C1COC1 ZINC000451119890 202358813 /nfs/dbraw/zinc/35/88/13/202358813.db2.gz HSECVJVORFEMRR-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451179479 202369700 /nfs/dbraw/zinc/36/97/00/202369700.db2.gz ATSGVWXXUBKQEF-SECBINFHSA-N 1 2 246.282 0.052 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451131422 202362267 /nfs/dbraw/zinc/36/22/67/202362267.db2.gz QUYZNYFRNMAMLS-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451131422 202362268 /nfs/dbraw/zinc/36/22/68/202362268.db2.gz QUYZNYFRNMAMLS-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451179479 202369704 /nfs/dbraw/zinc/36/97/04/202369704.db2.gz ATSGVWXXUBKQEF-SECBINFHSA-N 1 2 246.282 0.052 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)NC1CC1 ZINC000451131092 202362993 /nfs/dbraw/zinc/36/29/93/202362993.db2.gz PKKLTPDADNWDGA-UHFFFAOYSA-N 1 2 210.277 0.128 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)NC1CC1 ZINC000451131092 202362996 /nfs/dbraw/zinc/36/29/96/202362996.db2.gz PKKLTPDADNWDGA-UHFFFAOYSA-N 1 2 210.277 0.128 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NCC1CCC1 ZINC000451189837 202373219 /nfs/dbraw/zinc/37/32/19/202373219.db2.gz PXEUBCRFMFNRBX-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NCC1CCC1 ZINC000451189837 202373221 /nfs/dbraw/zinc/37/32/21/202373221.db2.gz PXEUBCRFMFNRBX-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451196836 202375672 /nfs/dbraw/zinc/37/56/72/202375672.db2.gz ZVDFFPSUCUNJHA-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451196836 202375675 /nfs/dbraw/zinc/37/56/75/202375675.db2.gz ZVDFFPSUCUNJHA-VHSXEESVSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@H+](CC(=O)N1CCC[C@H](C)C1)C1COC1 ZINC000451285516 202395478 /nfs/dbraw/zinc/39/54/78/202395478.db2.gz NGTGQJCNVSNRGC-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C1COC1 ZINC000451285516 202395480 /nfs/dbraw/zinc/39/54/80/202395480.db2.gz NGTGQJCNVSNRGC-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CC1CC1 ZINC000309187828 491146005 /nfs/dbraw/zinc/14/60/05/491146005.db2.gz PBTQSJRXEACAHB-NSHDSACASA-N 1 2 209.293 0.969 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2cc(C(N)=O)co2)cn1 ZINC000578591804 366602942 /nfs/dbraw/zinc/60/29/42/366602942.db2.gz VTNPPISYEYNYPC-UHFFFAOYSA-N 1 2 246.270 0.965 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cnccn1 ZINC000578591025 366603060 /nfs/dbraw/zinc/60/30/60/366603060.db2.gz NRTDDIYNOWHBLS-ZDUSSCGKSA-N 1 2 248.330 0.967 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cnccn1 ZINC000578591025 366603064 /nfs/dbraw/zinc/60/30/64/366603064.db2.gz NRTDDIYNOWHBLS-ZDUSSCGKSA-N 1 2 248.330 0.967 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)o1 ZINC000578594061 366603545 /nfs/dbraw/zinc/60/35/45/366603545.db2.gz SZUKJCKVRXKKRD-NXEZZACHSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)o1 ZINC000578594061 366603549 /nfs/dbraw/zinc/60/35/49/366603549.db2.gz SZUKJCKVRXKKRD-NXEZZACHSA-N 1 2 226.276 0.158 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H]1COCCO1 ZINC000578603928 366606230 /nfs/dbraw/zinc/60/62/30/366606230.db2.gz NZCDJNSIPITTCP-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H]1COCCO1 ZINC000578603928 366606240 /nfs/dbraw/zinc/60/62/40/366606240.db2.gz NZCDJNSIPITTCP-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@H+](CCCS(=O)(=O)C(C)C)C1COC1 ZINC000451284394 202392958 /nfs/dbraw/zinc/39/29/58/202392958.db2.gz KEWFWYGRROIESQ-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCCS(=O)(=O)C(C)C)C1COC1 ZINC000451284394 202392962 /nfs/dbraw/zinc/39/29/62/202392962.db2.gz KEWFWYGRROIESQ-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)no1 ZINC000578756933 366639354 /nfs/dbraw/zinc/63/93/54/366639354.db2.gz DFGHQDRBWDKALD-SECBINFHSA-N 1 2 248.286 0.927 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1C[C@@H](O)C1 ZINC000612628473 359945409 /nfs/dbraw/zinc/94/54/09/359945409.db2.gz AGBJSNNYWUPQOA-JGZJWPJOSA-N 1 2 245.282 0.516 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612636192 359955997 /nfs/dbraw/zinc/95/59/97/359955997.db2.gz NDBKKSBWUXPGDM-XHNCKOQMSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612636192 359955999 /nfs/dbraw/zinc/95/59/99/359955999.db2.gz NDBKKSBWUXPGDM-XHNCKOQMSA-N 1 2 235.287 0.154 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000612638644 359961163 /nfs/dbraw/zinc/96/11/63/359961163.db2.gz AXMNVSFEAKHPCY-MRTMQBJTSA-N 1 2 223.276 0.228 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000612638644 359961166 /nfs/dbraw/zinc/96/11/66/359961166.db2.gz AXMNVSFEAKHPCY-MRTMQBJTSA-N 1 2 223.276 0.228 20 0 BCADLO COC1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC000578935070 366675420 /nfs/dbraw/zinc/67/54/20/366675420.db2.gz FFORRMFZNYVHEC-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000088752947 359976416 /nfs/dbraw/zinc/97/64/16/359976416.db2.gz OIIWMDMPLIAONU-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000088752947 359976421 /nfs/dbraw/zinc/97/64/21/359976421.db2.gz OIIWMDMPLIAONU-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ncc[nH]1 ZINC000612697036 360012408 /nfs/dbraw/zinc/01/24/08/360012408.db2.gz WWHHCUJJNCAEOC-ZETCQYMHSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ncc[nH]1 ZINC000612697036 360012412 /nfs/dbraw/zinc/01/24/12/360012412.db2.gz WWHHCUJJNCAEOC-ZETCQYMHSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](O)C1CC1 ZINC000612697685 360014431 /nfs/dbraw/zinc/01/44/31/360014431.db2.gz XYFDOJIWASSVAW-KCJUWKMLSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](O)C1CC1 ZINC000612697685 360014435 /nfs/dbraw/zinc/01/44/35/360014435.db2.gz XYFDOJIWASSVAW-KCJUWKMLSA-N 1 2 235.287 0.154 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)nn1C ZINC000089205158 360001393 /nfs/dbraw/zinc/00/13/93/360001393.db2.gz RUHAUMPBJLWJSG-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)nn1C ZINC000089205158 360001398 /nfs/dbraw/zinc/00/13/98/360001398.db2.gz RUHAUMPBJLWJSG-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)NC1CC1 ZINC000090007442 360052456 /nfs/dbraw/zinc/05/24/56/360052456.db2.gz FHZHIXKDDPFSGA-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)NC1CC1 ZINC000090007442 360052459 /nfs/dbraw/zinc/05/24/59/360052459.db2.gz FHZHIXKDDPFSGA-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007229 360052982 /nfs/dbraw/zinc/05/29/82/360052982.db2.gz LVJPUGXVRIOBMR-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007229 360052986 /nfs/dbraw/zinc/05/29/86/360052986.db2.gz LVJPUGXVRIOBMR-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009117 360054202 /nfs/dbraw/zinc/05/42/02/360054202.db2.gz NIIHIMVEOBSBLK-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009117 360054204 /nfs/dbraw/zinc/05/42/04/360054204.db2.gz NIIHIMVEOBSBLK-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)CC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658142 360082019 /nfs/dbraw/zinc/08/20/19/360082019.db2.gz WMNZJVTYVKDQRX-UHFFFAOYSA-N 1 2 224.308 0.444 20 0 BCADLO CC(C)CC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658142 360082022 /nfs/dbraw/zinc/08/20/22/360082022.db2.gz WMNZJVTYVKDQRX-UHFFFAOYSA-N 1 2 224.308 0.444 20 0 BCADLO CCC(CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698422 360083895 /nfs/dbraw/zinc/08/38/95/360083895.db2.gz ZRUWWGRBAHWRRB-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000092017184 360146401 /nfs/dbraw/zinc/14/64/01/360146401.db2.gz QYFADLXVKLVGKW-RKDXNWHRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000092017184 360146403 /nfs/dbraw/zinc/14/64/03/360146403.db2.gz QYFADLXVKLVGKW-RKDXNWHRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccn1C ZINC000092042553 360147077 /nfs/dbraw/zinc/14/70/77/360147077.db2.gz GEFXHBNRRPDVJG-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccn1C ZINC000092042553 360147078 /nfs/dbraw/zinc/14/70/78/360147078.db2.gz GEFXHBNRRPDVJG-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO COc1ncncc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092077147 360149605 /nfs/dbraw/zinc/14/96/05/360149605.db2.gz FEVFEYDPPVNCLL-UHFFFAOYSA-N 1 2 248.246 0.530 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865422 360133031 /nfs/dbraw/zinc/13/30/31/360133031.db2.gz XGRQSUUUAYRQDP-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865422 360133035 /nfs/dbraw/zinc/13/30/35/360133035.db2.gz XGRQSUUUAYRQDP-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612921756 360182628 /nfs/dbraw/zinc/18/26/28/360182628.db2.gz WOXMFLFVPIKYTH-IVZWLZJFSA-N 1 2 237.303 0.363 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000092617479 360184316 /nfs/dbraw/zinc/18/43/16/360184316.db2.gz HHQBFBGCIDWDRG-UHFFFAOYSA-N 1 2 210.281 0.863 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000092617479 360184319 /nfs/dbraw/zinc/18/43/19/360184319.db2.gz HHQBFBGCIDWDRG-UHFFFAOYSA-N 1 2 210.281 0.863 20 0 BCADLO CC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617066 360184616 /nfs/dbraw/zinc/18/46/16/360184616.db2.gz CVGQZMHPDQXZHQ-MRVPVSSYSA-N 1 2 210.281 0.720 20 0 BCADLO CC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617066 360184620 /nfs/dbraw/zinc/18/46/20/360184620.db2.gz CVGQZMHPDQXZHQ-MRVPVSSYSA-N 1 2 210.281 0.720 20 0 BCADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618599 360186121 /nfs/dbraw/zinc/18/61/21/360186121.db2.gz FEFVEWKOXFYWPG-HTQZYQBOSA-N 1 2 210.281 0.861 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C1CC1)C1CC1 ZINC000092618276 360186817 /nfs/dbraw/zinc/18/68/17/360186817.db2.gz GNZDFMYVRDTTIG-UHFFFAOYSA-N 1 2 222.292 0.718 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C1CC1)C1CC1 ZINC000092618276 360186820 /nfs/dbraw/zinc/18/68/20/360186820.db2.gz GNZDFMYVRDTTIG-UHFFFAOYSA-N 1 2 222.292 0.718 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735729 360192570 /nfs/dbraw/zinc/19/25/70/360192570.db2.gz DEVJJOYTNBVEGY-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735729 360192575 /nfs/dbraw/zinc/19/25/75/360192575.db2.gz DEVJJOYTNBVEGY-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO NC(=O)c1ccc(NCCCn2cc[nH+]c2)nn1 ZINC000095009446 181300161 /nfs/dbraw/zinc/30/01/61/181300161.db2.gz KZVMZBSBLAPQST-UHFFFAOYSA-N 1 2 246.274 0.274 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCOC1 ZINC000613006736 360269079 /nfs/dbraw/zinc/26/90/79/360269079.db2.gz BGLJBDRNSXWPHX-BREBYQMCSA-N 1 2 249.314 0.819 20 0 BCADLO C[C@@]1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000613008047 360270006 /nfs/dbraw/zinc/27/00/06/360270006.db2.gz IPVGPESNZWGWTR-TVQRCGJNSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@]1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000613008047 360270010 /nfs/dbraw/zinc/27/00/10/360270010.db2.gz IPVGPESNZWGWTR-TVQRCGJNSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)cn1 ZINC000095010546 360330352 /nfs/dbraw/zinc/33/03/52/360330352.db2.gz NNEJDLKHQFFKIG-VIFPVBQESA-N 1 2 245.286 0.878 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000613087144 360348609 /nfs/dbraw/zinc/34/86/09/360348609.db2.gz UOKRHBWXCLMJKQ-RKDXNWHRSA-N 1 2 236.271 0.963 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000613160655 360459994 /nfs/dbraw/zinc/45/99/94/360459994.db2.gz TURATGZEMYAAAB-NXEZZACHSA-N 1 2 249.314 0.771 20 0 BCADLO C[C@@H](C(=O)Nc1cc[nH]n1)[NH+]1CCSCC1 ZINC000133272784 491149713 /nfs/dbraw/zinc/14/97/13/491149713.db2.gz VENTWHSFQGUIQL-QMMMGPOBSA-N 1 2 240.332 0.786 20 0 BCADLO Fc1c[nH+]ccc1NCCN1CCOCC1 ZINC000309488197 491149628 /nfs/dbraw/zinc/14/96/28/491149628.db2.gz HJCWOVHYVXBQQB-UHFFFAOYSA-N 1 2 225.267 0.965 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CCCO2 ZINC000628789508 360659625 /nfs/dbraw/zinc/65/96/25/360659625.db2.gz IBSQPTZLLKNXGZ-UHFFFAOYSA-N 1 2 249.314 0.744 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000628911943 360744839 /nfs/dbraw/zinc/74/48/39/360744839.db2.gz DMRNVDBNYXCCPW-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000628911943 360744841 /nfs/dbraw/zinc/74/48/41/360744841.db2.gz DMRNVDBNYXCCPW-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC000628912468 360744938 /nfs/dbraw/zinc/74/49/38/360744938.db2.gz DQAMVBSRDWIELF-JTQLQIEISA-N 1 2 244.310 0.573 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC000628912468 360744940 /nfs/dbraw/zinc/74/49/40/360744940.db2.gz DQAMVBSRDWIELF-JTQLQIEISA-N 1 2 244.310 0.573 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000628912331 360744967 /nfs/dbraw/zinc/74/49/67/360744967.db2.gz STGHMBDKGXVHSA-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000628912331 360744970 /nfs/dbraw/zinc/74/49/70/360744970.db2.gz STGHMBDKGXVHSA-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914011 360746499 /nfs/dbraw/zinc/74/64/99/360746499.db2.gz FFHGKRUFCOSFNA-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914011 360746504 /nfs/dbraw/zinc/74/65/04/360746504.db2.gz FFHGKRUFCOSFNA-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000628913205 360746515 /nfs/dbraw/zinc/74/65/15/360746515.db2.gz KXKZJOGXYSHJJQ-VIFPVBQESA-N 1 2 241.266 0.214 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000628913205 360746521 /nfs/dbraw/zinc/74/65/21/360746521.db2.gz KXKZJOGXYSHJJQ-VIFPVBQESA-N 1 2 241.266 0.214 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000628913882 360746787 /nfs/dbraw/zinc/74/67/87/360746787.db2.gz WKVUGWYWRPCFHA-NXEZZACHSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000628913882 360746792 /nfs/dbraw/zinc/74/67/92/360746792.db2.gz WKVUGWYWRPCFHA-NXEZZACHSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cccnc1 ZINC000628916668 360747185 /nfs/dbraw/zinc/74/71/85/360747185.db2.gz FMPNEGRGRVDUGW-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1cccnc1 ZINC000628916668 360747187 /nfs/dbraw/zinc/74/71/87/360747187.db2.gz FMPNEGRGRVDUGW-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916284 360751855 /nfs/dbraw/zinc/75/18/55/360751855.db2.gz DBIABFVRXAXKED-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916284 360751858 /nfs/dbraw/zinc/75/18/58/360751858.db2.gz DBIABFVRXAXKED-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCSC1 ZINC000628918600 360751903 /nfs/dbraw/zinc/75/19/03/360751903.db2.gz NNWZZBFFNHYNPB-UWVGGRQHSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCSC1 ZINC000628918600 360751907 /nfs/dbraw/zinc/75/19/07/360751907.db2.gz NNWZZBFFNHYNPB-UWVGGRQHSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccco1 ZINC000628917467 360753137 /nfs/dbraw/zinc/75/31/37/360753137.db2.gz IUQKJDDQQRJPAF-SNVBAGLBSA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccco1 ZINC000628917467 360753139 /nfs/dbraw/zinc/75/31/39/360753139.db2.gz IUQKJDDQQRJPAF-SNVBAGLBSA-N 1 2 238.287 0.269 20 0 BCADLO Cc1cccc(C(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000628921127 360753661 /nfs/dbraw/zinc/75/36/61/360753661.db2.gz GGZDKBZIQIFMKE-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccc(C(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000628921127 360753663 /nfs/dbraw/zinc/75/36/63/360753663.db2.gz GGZDKBZIQIFMKE-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO CC[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922742 360755221 /nfs/dbraw/zinc/75/52/21/360755221.db2.gz OEVCJZWRXFOQNC-UWVGGRQHSA-N 1 2 214.309 0.479 20 0 BCADLO CC[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922742 360755223 /nfs/dbraw/zinc/75/52/23/360755223.db2.gz OEVCJZWRXFOQNC-UWVGGRQHSA-N 1 2 214.309 0.479 20 0 BCADLO CCC(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922119 360755284 /nfs/dbraw/zinc/75/52/84/360755284.db2.gz LPRRNWXMLOBPQJ-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CCC(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922119 360755287 /nfs/dbraw/zinc/75/52/87/360755287.db2.gz LPRRNWXMLOBPQJ-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@](C)(OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923649 360756633 /nfs/dbraw/zinc/75/66/33/360756633.db2.gz RNQLPQOIFPXMMU-ZYHUDNBSSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@](C)(OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923649 360756640 /nfs/dbraw/zinc/75/66/40/360756640.db2.gz RNQLPQOIFPXMMU-ZYHUDNBSSA-N 1 2 244.335 0.248 20 0 BCADLO NC(=O)c1ccnn1Cc1[nH+]ccn1C(F)F ZINC000337936708 181307563 /nfs/dbraw/zinc/30/75/63/181307563.db2.gz BYTNTXWBHVKIFY-UHFFFAOYSA-N 1 2 241.201 0.622 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC000628926018 360757747 /nfs/dbraw/zinc/75/77/47/360757747.db2.gz NIDZQBOSQYBERJ-LBPRGKRZSA-N 1 2 234.299 0.747 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC000628926018 360757750 /nfs/dbraw/zinc/75/77/50/360757750.db2.gz NIDZQBOSQYBERJ-LBPRGKRZSA-N 1 2 234.299 0.747 20 0 BCADLO Cc1occc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925931 360757760 /nfs/dbraw/zinc/75/77/60/360757760.db2.gz OGEPGVBXLCMQRA-JTQLQIEISA-N 1 2 238.287 0.648 20 0 BCADLO Cc1occc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925931 360757764 /nfs/dbraw/zinc/75/77/64/360757764.db2.gz OGEPGVBXLCMQRA-JTQLQIEISA-N 1 2 238.287 0.648 20 0 BCADLO C/C=C\CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000629033251 360815612 /nfs/dbraw/zinc/81/56/12/360815612.db2.gz LXRQYNGGGWYJST-PLNGDYQASA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C/CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000629044694 360844101 /nfs/dbraw/zinc/84/41/01/360844101.db2.gz YIRHBZWXTRDKQG-AATRIKPKSA-N 1 2 241.335 0.135 20 0 BCADLO C/C=C/CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000629044694 360844106 /nfs/dbraw/zinc/84/41/06/360844106.db2.gz YIRHBZWXTRDKQG-AATRIKPKSA-N 1 2 241.335 0.135 20 0 BCADLO CC1(C)C[N@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000578977401 366684751 /nfs/dbraw/zinc/68/47/51/366684751.db2.gz QWDJKBXDQJVVLK-VIFPVBQESA-N 1 2 217.284 0.960 20 0 BCADLO CC1(C)C[N@@H+](CC2(F)CC2)C[C@@H](CO)O1 ZINC000578977401 366684755 /nfs/dbraw/zinc/68/47/55/366684755.db2.gz QWDJKBXDQJVVLK-VIFPVBQESA-N 1 2 217.284 0.960 20 0 BCADLO O=C1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CN1 ZINC000309603753 491152221 /nfs/dbraw/zinc/15/22/21/491152221.db2.gz XIKGDRKDVLGCBC-QMMMGPOBSA-N 1 2 218.260 0.654 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629142780 360900404 /nfs/dbraw/zinc/90/04/04/360900404.db2.gz HPXBVQWMOCYCJK-PWSUYJOCSA-N 1 2 249.314 0.646 20 0 BCADLO C[C@@H]1CN(C(=O)C[NH+]2CC[C@H](F)C2)C[C@@H](C)O1 ZINC000451180400 200742735 /nfs/dbraw/zinc/74/27/35/200742735.db2.gz CVLMQCZQKQQFHU-MXWKQRLJSA-N 1 2 244.310 0.666 20 0 BCADLO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)c(=O)o1 ZINC000629190177 360934357 /nfs/dbraw/zinc/93/43/57/360934357.db2.gz WGMBMPZNBWOWSN-UHFFFAOYSA-N 1 2 234.259 0.654 20 0 BCADLO Cc1nc(NCCC2CS(=O)(=O)C2)cc[nH+]1 ZINC000309625699 491153065 /nfs/dbraw/zinc/15/30/65/491153065.db2.gz FSARESVCRBYARD-UHFFFAOYSA-N 1 2 241.316 0.632 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1CSC1 ZINC000631207194 360997105 /nfs/dbraw/zinc/99/71/05/360997105.db2.gz FMNCCRGCWOVBHX-UHFFFAOYSA-N 1 2 211.290 0.431 20 0 BCADLO CC(C)N1CC[C@@H]([NH2+]Cc2ccon2)C1=O ZINC000309643702 491153456 /nfs/dbraw/zinc/15/34/56/491153456.db2.gz VJHXABSCZMCQOW-SNVBAGLBSA-N 1 2 223.276 0.774 20 0 BCADLO CCc1cc(NC[C@H](C)S(N)(=O)=O)nc[nH+]1 ZINC000309653240 491153817 /nfs/dbraw/zinc/15/38/17/491153817.db2.gz OWVPGOSAFIHHJK-ZETCQYMHSA-N 1 2 244.320 0.128 20 0 BCADLO CC[C@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000158930668 361215450 /nfs/dbraw/zinc/21/54/50/361215450.db2.gz GBQXDYNBXZPEMH-VIFPVBQESA-N 1 2 203.282 0.953 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483329 361258990 /nfs/dbraw/zinc/25/89/90/361258990.db2.gz VXLYVLKYAPVDAN-ZYHUDNBSSA-N 1 2 236.319 0.501 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483329 361258995 /nfs/dbraw/zinc/25/89/95/361258995.db2.gz VXLYVLKYAPVDAN-ZYHUDNBSSA-N 1 2 236.319 0.501 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640483396 361259032 /nfs/dbraw/zinc/25/90/32/361259032.db2.gz MYJRZPQXWXZROZ-LDYMZIIASA-N 1 2 208.261 0.804 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640483396 361259037 /nfs/dbraw/zinc/25/90/37/361259037.db2.gz MYJRZPQXWXZROZ-LDYMZIIASA-N 1 2 208.261 0.804 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483311 361259135 /nfs/dbraw/zinc/25/91/35/361259135.db2.gz VVJHFSNKCVBOEL-PRHODGIISA-N 1 2 235.287 0.311 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483311 361259138 /nfs/dbraw/zinc/25/91/38/361259138.db2.gz VVJHFSNKCVBOEL-PRHODGIISA-N 1 2 235.287 0.311 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nnc1C1CCC1 ZINC000640481299 361265639 /nfs/dbraw/zinc/26/56/39/361265639.db2.gz LKPIMVQJKRRNEP-ZWNOBZJWSA-N 1 2 248.330 0.649 20 0 BCADLO Cn1c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nnc1C1CCC1 ZINC000640481299 361265640 /nfs/dbraw/zinc/26/56/40/361265640.db2.gz LKPIMVQJKRRNEP-ZWNOBZJWSA-N 1 2 248.330 0.649 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640481998 361267630 /nfs/dbraw/zinc/26/76/30/361267630.db2.gz PBPWIICXWULHMV-XVKPBYJWSA-N 1 2 225.317 0.667 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640481998 361267634 /nfs/dbraw/zinc/26/76/34/361267634.db2.gz PBPWIICXWULHMV-XVKPBYJWSA-N 1 2 225.317 0.667 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1nccs1 ZINC000640482808 361268678 /nfs/dbraw/zinc/26/86/78/361268678.db2.gz KVBSJGODBQZRGB-XVKPBYJWSA-N 1 2 239.300 0.148 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1nccs1 ZINC000640482808 361268682 /nfs/dbraw/zinc/26/86/82/361268682.db2.gz KVBSJGODBQZRGB-XVKPBYJWSA-N 1 2 239.300 0.148 20 0 BCADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccccn1 ZINC000640486246 361270872 /nfs/dbraw/zinc/27/08/72/361270872.db2.gz LHXZJGGIFVWHAQ-BXKDBHETSA-N 1 2 233.271 0.087 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccccn1 ZINC000640486246 361270875 /nfs/dbraw/zinc/27/08/75/361270875.db2.gz LHXZJGGIFVWHAQ-BXKDBHETSA-N 1 2 233.271 0.087 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)on1 ZINC000640486527 361271954 /nfs/dbraw/zinc/27/19/54/361271954.db2.gz MMDHNLDTYAECOF-LDYMZIIASA-N 1 2 222.244 0.444 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)on1 ZINC000640486527 361271958 /nfs/dbraw/zinc/27/19/58/361271958.db2.gz MMDHNLDTYAECOF-LDYMZIIASA-N 1 2 222.244 0.444 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640486741 361272831 /nfs/dbraw/zinc/27/28/31/361272831.db2.gz NFJCSRGIVNDREV-UFBFGSQYSA-N 1 2 236.319 0.669 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640486741 361272833 /nfs/dbraw/zinc/27/28/33/361272833.db2.gz NFJCSRGIVNDREV-UFBFGSQYSA-N 1 2 236.319 0.669 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nnc(C3CC3)s1)C2 ZINC000640486709 361273402 /nfs/dbraw/zinc/27/34/02/361273402.db2.gz NBZFXYHIHVFCJK-LDYMZIIASA-N 1 2 237.328 0.982 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nnc(C3CC3)s1)C2 ZINC000640486709 361273404 /nfs/dbraw/zinc/27/34/04/361273404.db2.gz NBZFXYHIHVFCJK-LDYMZIIASA-N 1 2 237.328 0.982 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)n[nH]1 ZINC000428307385 201008186 /nfs/dbraw/zinc/00/81/86/201008186.db2.gz UKHDGMATGCAZSQ-DTWKUNHWSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)n[nH]1 ZINC000428307385 201008187 /nfs/dbraw/zinc/00/81/87/201008187.db2.gz UKHDGMATGCAZSQ-DTWKUNHWSA-N 1 2 223.324 0.638 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](O)COC(C)C)C(=O)OC ZINC000428298174 201007106 /nfs/dbraw/zinc/00/71/06/201007106.db2.gz DOYRQUULULCKDH-ZYHUDNBSSA-N 1 2 247.335 0.704 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cncc2nncn21 ZINC000579062306 366702048 /nfs/dbraw/zinc/70/20/48/366702048.db2.gz MYOQLRNLQCPDJR-SECBINFHSA-N 1 2 243.274 0.821 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cncc2nncn21 ZINC000579062307 366702099 /nfs/dbraw/zinc/70/20/99/366702099.db2.gz MYOQLRNLQCPDJR-VIFPVBQESA-N 1 2 243.274 0.821 20 0 BCADLO CSC[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000579064487 366703571 /nfs/dbraw/zinc/70/35/71/366703571.db2.gz IUWUEZXDXANYMO-SECBINFHSA-N 1 2 243.332 0.113 20 0 BCADLO O=C(CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000613215514 361312976 /nfs/dbraw/zinc/31/29/76/361312976.db2.gz VOOZLTKFKJKLSB-SNVBAGLBSA-N 1 2 247.298 0.541 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)s1 ZINC000381291944 361317399 /nfs/dbraw/zinc/31/73/99/361317399.db2.gz DLFWIDLUFJAIJY-RCOVLWMOSA-N 1 2 240.332 0.461 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn[nH]1)C(C)(C)n1cncn1 ZINC000579179309 366727145 /nfs/dbraw/zinc/72/71/45/366727145.db2.gz SHOSNFWEOCFILJ-SECBINFHSA-N 1 2 234.307 0.915 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)[nH]1 ZINC000428393648 201012906 /nfs/dbraw/zinc/01/29/06/201012906.db2.gz OZZZPSKKCGHMRM-VIFPVBQESA-N 1 2 226.324 0.952 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](CO)C(C)(C)C)[nH]1 ZINC000428393648 201012908 /nfs/dbraw/zinc/01/29/08/201012908.db2.gz OZZZPSKKCGHMRM-VIFPVBQESA-N 1 2 226.324 0.952 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2csnn2)C1 ZINC000428427562 201015456 /nfs/dbraw/zinc/01/54/56/201015456.db2.gz RGBTUEIDKHUJSM-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2csnn2)C1 ZINC000428427562 201015458 /nfs/dbraw/zinc/01/54/58/201015458.db2.gz RGBTUEIDKHUJSM-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CC(C)c1nc(CN2CC[NH+](C)CC2)n[nH]1 ZINC000428488205 201024752 /nfs/dbraw/zinc/02/47/52/201024752.db2.gz SBXJERAHGBMHAH-UHFFFAOYSA-N 1 2 223.324 0.676 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@H]1C ZINC000428479887 201024871 /nfs/dbraw/zinc/02/48/71/201024871.db2.gz JWSXIFVRTLTLCY-CBAPKCEASA-N 1 2 238.291 0.497 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@H]1C ZINC000428479887 201024874 /nfs/dbraw/zinc/02/48/74/201024874.db2.gz JWSXIFVRTLTLCY-CBAPKCEASA-N 1 2 238.291 0.497 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCC[C@H]32)C1 ZINC000428512986 201026368 /nfs/dbraw/zinc/02/63/68/201026368.db2.gz CSMPAAOPUNTMGJ-TUAOUCFPSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCC[C@H]32)C1 ZINC000428512986 201026370 /nfs/dbraw/zinc/02/63/70/201026370.db2.gz CSMPAAOPUNTMGJ-TUAOUCFPSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cc(C(N)=O)co2)c[nH+]1 ZINC000428684562 201036796 /nfs/dbraw/zinc/03/67/96/201036796.db2.gz INGLQYREPFWRIL-UHFFFAOYSA-N 1 2 248.242 0.340 20 0 BCADLO O=C(NCCCO)NCCCCn1cc[nH+]c1 ZINC000079771901 370692192 /nfs/dbraw/zinc/69/21/92/370692192.db2.gz VQBRCMGCVZFEHM-UHFFFAOYSA-N 1 2 240.307 0.345 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429111952 201069540 /nfs/dbraw/zinc/06/95/40/201069540.db2.gz AEASRPVUEZIDCA-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429111952 201069543 /nfs/dbraw/zinc/06/95/43/201069543.db2.gz AEASRPVUEZIDCA-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CC(C)n1cc(C[N@H+](C)C2(CO)CC2)nn1 ZINC000428954956 201052295 /nfs/dbraw/zinc/05/22/95/201052295.db2.gz MUIDSTZWFGENGX-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)C2(CO)CC2)nn1 ZINC000428954956 201052297 /nfs/dbraw/zinc/05/22/97/201052297.db2.gz MUIDSTZWFGENGX-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000428975329 201055704 /nfs/dbraw/zinc/05/57/04/201055704.db2.gz HKTLTOIYMKTTAX-UTUOFQBUSA-N 1 2 249.314 0.946 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000428975329 201055706 /nfs/dbraw/zinc/05/57/06/201055706.db2.gz HKTLTOIYMKTTAX-UTUOFQBUSA-N 1 2 249.314 0.946 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000428975326 201056092 /nfs/dbraw/zinc/05/60/92/201056092.db2.gz HKTLTOIYMKTTAX-SDDRHHMPSA-N 1 2 249.314 0.946 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000428975326 201056095 /nfs/dbraw/zinc/05/60/95/201056095.db2.gz HKTLTOIYMKTTAX-SDDRHHMPSA-N 1 2 249.314 0.946 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)NC(C)(C)CC ZINC000429156158 201073656 /nfs/dbraw/zinc/07/36/56/201073656.db2.gz DWMHTEAUFNHTKM-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)NC(C)(C)CC ZINC000429156158 201073660 /nfs/dbraw/zinc/07/36/60/201073660.db2.gz DWMHTEAUFNHTKM-UHFFFAOYSA-N 1 2 243.351 0.489 20 0 BCADLO CCN1CN(Cc2cccc3[nH+]ccn32)CC1=O ZINC000191846883 361380219 /nfs/dbraw/zinc/38/02/19/361380219.db2.gz JTVYUPUUIUWWLF-UHFFFAOYSA-N 1 2 244.298 0.956 20 0 BCADLO C[C@@H](CC(=O)Nc1cn(C)nn1)n1cc[nH+]c1 ZINC000579250807 366746190 /nfs/dbraw/zinc/74/61/90/366746190.db2.gz ZRVUBDBHKMONER-QMMMGPOBSA-N 1 2 234.263 0.601 20 0 BCADLO CC(F)(F)CC(=O)NCC[NH+]1CCOCC1 ZINC000429449419 201109084 /nfs/dbraw/zinc/10/90/84/201109084.db2.gz SCAZMSPLKWWLTP-UHFFFAOYSA-N 1 2 236.262 0.480 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC(=O)C1 ZINC000579356018 366769373 /nfs/dbraw/zinc/76/93/73/366769373.db2.gz CWWBROFTCAIVHP-VIFPVBQESA-N 1 2 221.260 0.369 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000579391844 366776980 /nfs/dbraw/zinc/77/69/80/366776980.db2.gz DSUQGTIRMFENJQ-WCQGTBRESA-N 1 2 249.314 0.192 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn(C)c2)CC[S@]1=O ZINC000429556514 201115401 /nfs/dbraw/zinc/11/54/01/201115401.db2.gz DWHSTHPJNDBVNQ-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CC[S@]1=O ZINC000429556514 201115405 /nfs/dbraw/zinc/11/54/05/201115405.db2.gz DWHSTHPJNDBVNQ-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO Cc1nc([C@@H](C)[NH+]2CCC(O)CC2)no1 ZINC000429730642 201129360 /nfs/dbraw/zinc/12/93/60/201129360.db2.gz MQQYFOKKWSQSGB-SSDOTTSWSA-N 1 2 211.265 0.896 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC(C)(F)F)C1 ZINC000429981437 201137495 /nfs/dbraw/zinc/13/74/95/201137495.db2.gz YAHJQRGKQSDQRP-VIFPVBQESA-N 1 2 249.305 0.394 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC(C)(F)F)C1 ZINC000429981437 201137498 /nfs/dbraw/zinc/13/74/98/201137498.db2.gz YAHJQRGKQSDQRP-VIFPVBQESA-N 1 2 249.305 0.394 20 0 BCADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCNC(=O)C1 ZINC000181510669 366818204 /nfs/dbraw/zinc/81/82/04/366818204.db2.gz PXJWJKZBMARFCS-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CC(C)(C)OC(=O)CCC[N@H+]1CCNC(=O)C1 ZINC000181510669 366818210 /nfs/dbraw/zinc/81/82/10/366818210.db2.gz PXJWJKZBMARFCS-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000434097479 201205529 /nfs/dbraw/zinc/20/55/29/201205529.db2.gz ICLDZMPVFQFUSF-VIFPVBQESA-N 1 2 249.318 0.753 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000434097479 201205531 /nfs/dbraw/zinc/20/55/31/201205531.db2.gz ICLDZMPVFQFUSF-VIFPVBQESA-N 1 2 249.318 0.753 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCCSC1)[C@H](C)O ZINC000249157366 325639629 /nfs/dbraw/zinc/63/96/29/325639629.db2.gz ZBUMXOXMPWPSBS-XHNCKOQMSA-N 1 2 233.333 0.394 20 0 BCADLO CCOCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000152294455 201196143 /nfs/dbraw/zinc/19/61/43/201196143.db2.gz SPHWKSHQRKDKCZ-LLVKDONJSA-N 1 2 247.360 0.674 20 0 BCADLO CCOCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000152294455 201196145 /nfs/dbraw/zinc/19/61/45/201196145.db2.gz SPHWKSHQRKDKCZ-LLVKDONJSA-N 1 2 247.360 0.674 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000629685271 361607253 /nfs/dbraw/zinc/60/72/53/361607253.db2.gz KUTKGHHIVTWGDW-DCAQKATOSA-N 1 2 249.314 0.739 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](OC)C1 ZINC000629686246 361608706 /nfs/dbraw/zinc/60/87/06/361608706.db2.gz BDIXYKVGPNZUNH-DCAQKATOSA-N 1 2 242.319 0.001 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](OC)C1 ZINC000629686246 361608711 /nfs/dbraw/zinc/60/87/11/361608711.db2.gz BDIXYKVGPNZUNH-DCAQKATOSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434482080 201222314 /nfs/dbraw/zinc/22/23/14/201222314.db2.gz RFBQGFCLXRIPCL-OUAUKWLOSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434482080 201222316 /nfs/dbraw/zinc/22/23/16/201222316.db2.gz RFBQGFCLXRIPCL-OUAUKWLOSA-N 1 2 247.360 0.530 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000629687375 361610689 /nfs/dbraw/zinc/61/06/89/361610689.db2.gz SSNUQZIKMMPFFD-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000629687374 361610697 /nfs/dbraw/zinc/61/06/97/361610697.db2.gz SSNUQZIKMMPFFD-DCAQKATOSA-N 1 2 249.314 0.739 20 0 BCADLO CC1(C)C[N@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434545575 201225123 /nfs/dbraw/zinc/22/51/23/201225123.db2.gz ZFIZLBHQBWNRPY-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO CC1(C)C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434545575 201225125 /nfs/dbraw/zinc/22/51/25/201225125.db2.gz ZFIZLBHQBWNRPY-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000162786495 201229798 /nfs/dbraw/zinc/22/97/98/201229798.db2.gz JTBXWGFIYRIQNZ-BDAKNGLRSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000162786495 201229801 /nfs/dbraw/zinc/22/98/01/201229801.db2.gz JTBXWGFIYRIQNZ-BDAKNGLRSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H]1COCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000434762061 201239302 /nfs/dbraw/zinc/23/93/02/201239302.db2.gz FSZSRUUWEDAKHF-QWRGUYRKSA-N 1 2 237.303 0.672 20 0 BCADLO O[C@@H]1CCCN(c2ncc(-c3[nH]cc[nH+]3)cn2)C1 ZINC000629760703 361687069 /nfs/dbraw/zinc/68/70/69/361687069.db2.gz LMBGDIQESZDIRS-SNVBAGLBSA-N 1 2 245.286 0.828 20 0 BCADLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)C1=CCCC1 ZINC000614507047 363832095 /nfs/dbraw/zinc/83/20/95/363832095.db2.gz LKCPAVBDLJMZHR-ZDUSSCGKSA-N 1 2 249.358 0.603 20 0 BCADLO O=C(NC[C@H]1CN2CC[N@H+]1CCC2)C1=CCCC1 ZINC000614507047 363832099 /nfs/dbraw/zinc/83/20/99/363832099.db2.gz LKCPAVBDLJMZHR-ZDUSSCGKSA-N 1 2 249.358 0.603 20 0 BCADLO CC1(C)COCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000614430359 363814198 /nfs/dbraw/zinc/81/41/98/363814198.db2.gz DAUSAABQXAJIGU-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO C[C@H]1OCC[N@H+](CCCS(C)(=O)=O)[C@@H]1C ZINC000156031588 201383212 /nfs/dbraw/zinc/38/32/12/201383212.db2.gz NNCAZNYCRLDXIE-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]1OCC[N@@H+](CCCS(C)(=O)=O)[C@@H]1C ZINC000156031588 201383215 /nfs/dbraw/zinc/38/32/15/201383215.db2.gz NNCAZNYCRLDXIE-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO CC1(C)OCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000328263921 363870498 /nfs/dbraw/zinc/87/04/98/363870498.db2.gz SPWFDFOEQMBJCP-ZETCQYMHSA-N 1 2 209.236 0.771 20 0 BCADLO CCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000614546085 363843173 /nfs/dbraw/zinc/84/31/73/363843173.db2.gz OOHONXAFWRTLDP-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000614546085 363843179 /nfs/dbraw/zinc/84/31/79/363843179.db2.gz OOHONXAFWRTLDP-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000614546115 363844457 /nfs/dbraw/zinc/84/44/57/363844457.db2.gz PQIFYAQYQXDKED-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000614546092 363844464 /nfs/dbraw/zinc/84/44/64/363844464.db2.gz ORMSWMGWAYALDF-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCN1 ZINC000614734938 363944143 /nfs/dbraw/zinc/94/41/43/363944143.db2.gz LPKYTQLSCPTMSF-UHFFFAOYSA-N 1 2 208.265 0.388 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCOC1 ZINC000614656893 363916222 /nfs/dbraw/zinc/91/62/22/363916222.db2.gz GUOIMCZDCZQDHT-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCOC1 ZINC000614656893 363916228 /nfs/dbraw/zinc/91/62/28/363916228.db2.gz GUOIMCZDCZQDHT-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ncc[nH]1 ZINC000614701103 363931092 /nfs/dbraw/zinc/93/10/92/363931092.db2.gz RGRZCVCIVBFUDL-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO CN1C(=O)C[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000630384263 364097434 /nfs/dbraw/zinc/09/74/34/364097434.db2.gz VVQRRLMHONUTJZ-LLVKDONJSA-N 1 2 246.266 0.465 20 0 BCADLO CN1C(=O)C[C@@H]([N@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000630384263 364097437 /nfs/dbraw/zinc/09/74/37/364097437.db2.gz VVQRRLMHONUTJZ-LLVKDONJSA-N 1 2 246.266 0.465 20 0 BCADLO COc1cncc(C(=O)N2CC[NH+](C)CC2)c1C ZINC000630389108 364106321 /nfs/dbraw/zinc/10/63/21/364106321.db2.gz QJQPAAJPAWHEGG-UHFFFAOYSA-N 1 2 249.314 0.786 20 0 BCADLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)[C@@H](C)O ZINC000622090648 370703575 /nfs/dbraw/zinc/70/35/75/370703575.db2.gz RSBPWQYDCVVECL-RKDXNWHRSA-N 1 2 239.319 0.963 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(F)ccn2)C1 ZINC000622153899 370740482 /nfs/dbraw/zinc/74/04/82/370740482.db2.gz TXAIFMYTCJXVTC-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(F)ccn2)C1 ZINC000622153899 370740485 /nfs/dbraw/zinc/74/04/85/370740485.db2.gz TXAIFMYTCJXVTC-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO CC(C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000432641507 192952265 /nfs/dbraw/zinc/95/22/65/192952265.db2.gz BIMNRSATDVSIJO-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191524603 219932492 /nfs/dbraw/zinc/93/24/92/219932492.db2.gz SOXIWMBROLQQOG-GWCFXTLKSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191524603 219932498 /nfs/dbraw/zinc/93/24/98/219932498.db2.gz SOXIWMBROLQQOG-GWCFXTLKSA-N 1 2 236.315 0.972 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C1CSC1 ZINC000630549460 364242493 /nfs/dbraw/zinc/24/24/93/364242493.db2.gz FDJCUGXTHGIOEE-UHFFFAOYSA-N 1 2 225.317 0.742 20 0 BCADLO Cc1cc(NCCn2cncn2)nc(C2CC2)[nH+]1 ZINC000329261674 541347982 /nfs/dbraw/zinc/34/79/82/541347982.db2.gz BGISKAJYJDBMMZ-UHFFFAOYSA-N 1 2 244.302 1.366 20 0 BCADLO CC(=O)C(C)(C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000630606639 364329521 /nfs/dbraw/zinc/32/95/21/364329521.db2.gz MIUVQVIMBKIYGT-SNVBAGLBSA-N 1 2 238.291 0.263 20 0 BCADLO Cc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)nc1 ZINC000630619158 364356770 /nfs/dbraw/zinc/35/67/70/364356770.db2.gz KQQLXJGNHKZGMO-NSHDSACASA-N 1 2 245.286 0.632 20 0 BCADLO O=C(CCCF)N1CCn2c[nH+]cc2C1 ZINC000615039703 364406727 /nfs/dbraw/zinc/40/67/27/364406727.db2.gz OOZSHBIOINHOAL-UHFFFAOYSA-N 1 2 211.240 0.975 20 0 BCADLO O=C(c1ncc[nH]1)N1CCn2c[nH+]cc2C1 ZINC000615039713 364407335 /nfs/dbraw/zinc/40/73/35/364407335.db2.gz PAIOQFFAPORTEM-UHFFFAOYSA-N 1 2 217.232 0.262 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N(C)[C@@H](C)C1 ZINC000579495287 366833634 /nfs/dbraw/zinc/83/36/34/366833634.db2.gz VQMPPWMZUQNELR-VIFPVBQESA-N 1 2 234.303 0.760 20 0 BCADLO CCc1nnc(C[N@H+](C)CC[C@H](C)O)[nH]1 ZINC000181719199 366841492 /nfs/dbraw/zinc/84/14/92/366841492.db2.gz FFBLNWRBNADUDY-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC[C@H](C)O)[nH]1 ZINC000181719199 366841495 /nfs/dbraw/zinc/84/14/95/366841495.db2.gz FFBLNWRBNADUDY-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865931 364545894 /nfs/dbraw/zinc/54/58/94/364545894.db2.gz QUXZUFGJOZOQAD-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865931 364545903 /nfs/dbraw/zinc/54/59/03/364545903.db2.gz QUXZUFGJOZOQAD-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](NC(=O)[C@@](C)(O)C1CC1)c1[nH]cc[nH+]1 ZINC000615158186 364550470 /nfs/dbraw/zinc/55/04/70/364550470.db2.gz KMEVSDJBMNVOQQ-HQJQHLMTSA-N 1 2 223.276 0.748 20 0 BCADLO COC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000181988718 366858670 /nfs/dbraw/zinc/85/86/70/366858670.db2.gz YAAMOYSVXFHZMK-JTQLQIEISA-N 1 2 242.319 0.573 20 0 BCADLO Cc1conc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000630841230 364590647 /nfs/dbraw/zinc/59/06/47/364590647.db2.gz YWJOZCCVPXNJKY-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO CCOCc1nc([C@H](C)[NH2+]C[C@@H](C)O)no1 ZINC000644650998 541367370 /nfs/dbraw/zinc/36/73/70/541367370.db2.gz KLPVBKCDORBSMP-SFYZADRCSA-N 1 2 229.280 0.638 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615188012 364617760 /nfs/dbraw/zinc/61/77/60/364617760.db2.gz JVRPLSKPUZUNTM-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615188012 364617764 /nfs/dbraw/zinc/61/77/64/364617764.db2.gz JVRPLSKPUZUNTM-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615237041 364653300 /nfs/dbraw/zinc/65/33/00/364653300.db2.gz YTPSEWUZJGYQCD-VIFPVBQESA-N 1 2 249.314 0.546 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615237041 364653306 /nfs/dbraw/zinc/65/33/06/364653306.db2.gz YTPSEWUZJGYQCD-VIFPVBQESA-N 1 2 249.314 0.546 20 0 BCADLO COCC[C@H](C)[N@@H+]1CCc2n[nH]nc2C1 ZINC000429285010 541373309 /nfs/dbraw/zinc/37/33/09/541373309.db2.gz FIZSJDGYFSHVAJ-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO COCC[C@H](C)[N@H+]1CCc2n[nH]nc2C1 ZINC000429285010 541373313 /nfs/dbraw/zinc/37/33/13/541373313.db2.gz FIZSJDGYFSHVAJ-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)C1CC1)CC2 ZINC000364682195 541374047 /nfs/dbraw/zinc/37/40/47/541374047.db2.gz NUQBNXGKSGEELB-UHFFFAOYSA-N 1 2 241.316 0.499 20 0 BCADLO C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000630882701 364746421 /nfs/dbraw/zinc/74/64/21/364746421.db2.gz UOCCVGVVEGEDJK-LLVKDONJSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333011209 364766529 /nfs/dbraw/zinc/76/65/29/364766529.db2.gz OJDNOTHUUPMJFG-HBNTYKKESA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000333012777 364767527 /nfs/dbraw/zinc/76/75/27/364767527.db2.gz PBNFKYBXILHXDF-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO CCCc1nnnn1Cc1[nH+]ccn1C ZINC000573266386 364791867 /nfs/dbraw/zinc/79/18/67/364791867.db2.gz LNSJOPGEKIASHM-UHFFFAOYSA-N 1 2 206.253 0.407 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573457495 364839518 /nfs/dbraw/zinc/83/95/18/364839518.db2.gz WBNKZIGCNHPDAT-GXSJLCMTSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573457495 364839522 /nfs/dbraw/zinc/83/95/22/364839522.db2.gz WBNKZIGCNHPDAT-GXSJLCMTSA-N 1 2 239.319 0.721 20 0 BCADLO O=C(NCCF)c1ccc(-n2cc[nH+]c2)nn1 ZINC000573784098 364914599 /nfs/dbraw/zinc/91/45/99/364914599.db2.gz PVVCGPDRLISXAQ-UHFFFAOYSA-N 1 2 235.222 0.362 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cnc(C)[nH]1 ZINC000573832979 364927434 /nfs/dbraw/zinc/92/74/34/364927434.db2.gz NHIVRHAOCAWJMM-JTQLQIEISA-N 1 2 236.319 0.884 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc(C)[nH]1 ZINC000573832979 364927442 /nfs/dbraw/zinc/92/74/42/364927442.db2.gz NHIVRHAOCAWJMM-JTQLQIEISA-N 1 2 236.319 0.884 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nc2ccncc2)C1 ZINC000553227073 325682216 /nfs/dbraw/zinc/68/22/16/325682216.db2.gz QRLSFRQKBZHGPT-UHFFFAOYSA-N 1 2 219.288 0.784 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000283363101 541406990 /nfs/dbraw/zinc/40/69/90/541406990.db2.gz JBOKYDCYVQTUOS-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO [NH3+][C@@H](C(=O)NC[C@H]1CCCO1)c1cscn1 ZINC000573913009 364942844 /nfs/dbraw/zinc/94/28/44/364942844.db2.gz KAKCKTSJBAGMEA-VXNVDRBHSA-N 1 2 241.316 0.438 20 0 BCADLO [NH3+][C@H](C(=O)NC[C@H]1CCCO1)c1cscn1 ZINC000573913006 364942914 /nfs/dbraw/zinc/94/29/14/364942914.db2.gz KAKCKTSJBAGMEA-APPZFPTMSA-N 1 2 241.316 0.438 20 0 BCADLO Cc1cnc(CNC(=O)C[NH+]2CC(C)(C)C2)o1 ZINC000573979715 364960547 /nfs/dbraw/zinc/96/05/47/364960547.db2.gz NPMOQWQVYRALPE-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000573991204 364963217 /nfs/dbraw/zinc/96/32/17/364963217.db2.gz GZLOCMVDCQWULT-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO CCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574098333 364987322 /nfs/dbraw/zinc/98/73/22/364987322.db2.gz MUIIIHGLKFLKPO-SECBINFHSA-N 1 2 225.292 0.429 20 0 BCADLO CCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574098333 364987327 /nfs/dbraw/zinc/98/73/27/364987327.db2.gz MUIIIHGLKFLKPO-SECBINFHSA-N 1 2 225.292 0.429 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000168962648 365045237 /nfs/dbraw/zinc/04/52/37/365045237.db2.gz BLNGVCVCJKNEBN-UHFFFAOYSA-N 1 2 208.261 0.570 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000168962648 365045238 /nfs/dbraw/zinc/04/52/38/365045238.db2.gz BLNGVCVCJKNEBN-UHFFFAOYSA-N 1 2 208.261 0.570 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ncccn1 ZINC000433155368 192987801 /nfs/dbraw/zinc/98/78/01/192987801.db2.gz XMZYPXJAJPYUJQ-NSHDSACASA-N 1 2 239.319 0.694 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ncccn1 ZINC000433155368 192987803 /nfs/dbraw/zinc/98/78/03/192987803.db2.gz XMZYPXJAJPYUJQ-NSHDSACASA-N 1 2 239.319 0.694 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000574631650 365105659 /nfs/dbraw/zinc/10/56/59/365105659.db2.gz QJKMLPQUUVTVDT-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000574631650 365105665 /nfs/dbraw/zinc/10/56/65/365105665.db2.gz QJKMLPQUUVTVDT-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO CC(C)(O)C(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000574648111 365111752 /nfs/dbraw/zinc/11/17/52/365111752.db2.gz GHFRIHUAXXSXIE-UHFFFAOYSA-N 1 2 242.363 0.994 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cn(C)nc1C ZINC000169105588 365074753 /nfs/dbraw/zinc/07/47/53/365074753.db2.gz BKDOQJJDCPNGPF-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cn(C)nc1C ZINC000169105588 365074756 /nfs/dbraw/zinc/07/47/56/365074756.db2.gz BKDOQJJDCPNGPF-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO CCn1ccnc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000574823119 365152895 /nfs/dbraw/zinc/15/28/95/365152895.db2.gz QUXZGLHTTJHWBC-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO CC[N@H+](Cc1cncnc1)[C@H]1CCNC1=O ZINC000442964877 193007330 /nfs/dbraw/zinc/00/73/30/193007330.db2.gz JIRUCZNDOLCPBU-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO CC[N@@H+](Cc1cncnc1)[C@H]1CCNC1=O ZINC000442964877 193007332 /nfs/dbraw/zinc/00/73/32/193007332.db2.gz JIRUCZNDOLCPBU-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO c1ncn(CCNc2cc[nH+]c3ccncc23)n1 ZINC000443428504 193020736 /nfs/dbraw/zinc/02/07/36/193020736.db2.gz KTQUHWYQOWAFLN-UHFFFAOYSA-N 1 2 240.270 0.755 20 0 BCADLO C[C@@H](O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000575185446 365233095 /nfs/dbraw/zinc/23/30/95/365233095.db2.gz HJGZOVIOCXRXJR-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@H](O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000575185448 365234580 /nfs/dbraw/zinc/23/45/80/365234580.db2.gz HJGZOVIOCXRXJR-QWRGUYRKSA-N 1 2 237.303 0.645 20 0 BCADLO CCNS(=O)(=O)NCCc1ccc(C)[nH+]c1 ZINC000172457459 365327706 /nfs/dbraw/zinc/32/77/06/365327706.db2.gz HECPOUYGRAABPL-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO C[C@@H]1COCCN1C(=O)Cc1c[nH+]cn1C ZINC000575349801 365298120 /nfs/dbraw/zinc/29/81/20/365298120.db2.gz WARZNRYNXRMNOJ-SECBINFHSA-N 1 2 223.276 0.210 20 0 BCADLO O=C1C[N@H+](C[C@@H](O)CCc2ccccc2)CCN1 ZINC000182177988 366873285 /nfs/dbraw/zinc/87/32/85/366873285.db2.gz SLGQEXWHIOMRFB-ZDUSSCGKSA-N 1 2 248.326 0.412 20 0 BCADLO O=C1C[N@@H+](C[C@@H](O)CCc2ccccc2)CCN1 ZINC000182177988 366873291 /nfs/dbraw/zinc/87/32/91/366873291.db2.gz SLGQEXWHIOMRFB-ZDUSSCGKSA-N 1 2 248.326 0.412 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000575800094 365366398 /nfs/dbraw/zinc/36/63/98/365366398.db2.gz GUAVIIUJEFPJAH-VHSXEESVSA-N 1 2 239.323 0.770 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000575800094 365366402 /nfs/dbraw/zinc/36/64/02/365366402.db2.gz GUAVIIUJEFPJAH-VHSXEESVSA-N 1 2 239.323 0.770 20 0 BCADLO COc1n[nH]c(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000575933073 365420596 /nfs/dbraw/zinc/42/05/96/365420596.db2.gz BNIJFXWKLXDXJJ-UHFFFAOYSA-N 1 2 239.279 0.094 20 0 BCADLO O=C(CNc1cc(NC2CC2)[nH+]cn1)NC1CC1 ZINC000575892850 365406364 /nfs/dbraw/zinc/40/63/64/365406364.db2.gz OEQVTDYCKNGUMO-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO O=C(CNc1cc(NC2CC2)nc[nH+]1)NC1CC1 ZINC000575892850 365406369 /nfs/dbraw/zinc/40/63/69/365406369.db2.gz OEQVTDYCKNGUMO-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000173788519 365445985 /nfs/dbraw/zinc/44/59/85/365445985.db2.gz AZUGNOAZZXAIDA-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000173788519 365445993 /nfs/dbraw/zinc/44/59/93/365445993.db2.gz AZUGNOAZZXAIDA-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO Cc1cnccc1CC[N@@H+](C)Cc1nnnn1C ZINC000576033984 365457409 /nfs/dbraw/zinc/45/74/09/365457409.db2.gz HIYRHLLUQFKVLP-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO Cc1cnccc1CC[N@H+](C)Cc1nnnn1C ZINC000576033984 365457416 /nfs/dbraw/zinc/45/74/16/365457416.db2.gz HIYRHLLUQFKVLP-UHFFFAOYSA-N 1 2 246.318 0.588 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174393897 365483843 /nfs/dbraw/zinc/48/38/43/365483843.db2.gz QYKSEPRGDZFZJS-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174393897 365483848 /nfs/dbraw/zinc/48/38/48/365483848.db2.gz QYKSEPRGDZFZJS-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174393868 365484475 /nfs/dbraw/zinc/48/44/75/365484475.db2.gz QYKSEPRGDZFZJS-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174393868 365484477 /nfs/dbraw/zinc/48/44/77/365484477.db2.gz QYKSEPRGDZFZJS-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174531651 365495568 /nfs/dbraw/zinc/49/55/68/365495568.db2.gz YCFDXNVXGDOKGT-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174531651 365495573 /nfs/dbraw/zinc/49/55/73/365495573.db2.gz YCFDXNVXGDOKGT-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO COC[C@@](C)([NH2+]CCCOC(C)C)C(=O)OC ZINC000182594123 366919280 /nfs/dbraw/zinc/91/92/80/366919280.db2.gz SXTMFDPHZFMUCW-GFCCVEGCSA-N 1 2 247.335 0.969 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC000564928003 325827345 /nfs/dbraw/zinc/82/73/45/325827345.db2.gz DXHNRASWLKJUEW-NXEZZACHSA-N 1 2 223.276 0.288 20 0 BCADLO NC(=O)C[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000175257496 541500507 /nfs/dbraw/zinc/50/05/07/541500507.db2.gz GDPBBMMSQVRQRQ-ZETCQYMHSA-N 1 2 206.236 0.839 20 0 BCADLO NC(=O)C[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000175257496 541500510 /nfs/dbraw/zinc/50/05/10/541500510.db2.gz GDPBBMMSQVRQRQ-ZETCQYMHSA-N 1 2 206.236 0.839 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)o1 ZINC000579998339 367117804 /nfs/dbraw/zinc/11/78/04/367117804.db2.gz XACRDAJKTGZRRY-DCAQKATOSA-N 1 2 240.303 0.719 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](CO)[C@@H](O)C2)o1 ZINC000579998339 367117807 /nfs/dbraw/zinc/11/78/07/367117807.db2.gz XACRDAJKTGZRRY-DCAQKATOSA-N 1 2 240.303 0.719 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185114781 367119332 /nfs/dbraw/zinc/11/93/32/367119332.db2.gz BKBDLNRUMXLDMW-HWPZZCPQSA-N 1 2 248.392 0.554 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185114781 367119336 /nfs/dbraw/zinc/11/93/36/367119336.db2.gz BKBDLNRUMXLDMW-HWPZZCPQSA-N 1 2 248.392 0.554 20 0 BCADLO CSCCCNC(=O)Cn1cc[nH+]c1 ZINC000580807757 367171200 /nfs/dbraw/zinc/17/12/00/367171200.db2.gz NSVAHPVEFRSUSV-UHFFFAOYSA-N 1 2 213.306 0.752 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncccc2O)CC[S@@]1=O ZINC000580825738 367178089 /nfs/dbraw/zinc/17/80/89/367178089.db2.gz GCHFEZBLSYCVRV-FVMDXXJSSA-N 1 2 240.328 0.740 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CC[S@@]1=O ZINC000580825738 367178092 /nfs/dbraw/zinc/17/80/92/367178092.db2.gz GCHFEZBLSYCVRV-FVMDXXJSSA-N 1 2 240.328 0.740 20 0 BCADLO CCc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ncn1 ZINC000068806195 370850181 /nfs/dbraw/zinc/85/01/81/370850181.db2.gz WDHHPPXRNHEBJA-LBPRGKRZSA-N 1 2 249.362 0.697 20 0 BCADLO CCc1cc(NC[C@H]2CN(C)CC[N@H+]2C)ncn1 ZINC000068806195 370850185 /nfs/dbraw/zinc/85/01/85/370850185.db2.gz WDHHPPXRNHEBJA-LBPRGKRZSA-N 1 2 249.362 0.697 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccnc2ccnn21 ZINC000580926223 367207128 /nfs/dbraw/zinc/20/71/28/367207128.db2.gz ZKJCXVQAKKTWKC-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BCADLO Cn1cc(CCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC000580985442 367224346 /nfs/dbraw/zinc/22/43/46/367224346.db2.gz MTJQUCJASHEIGQ-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO CC(C)(CO)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000581021338 367240354 /nfs/dbraw/zinc/24/03/54/367240354.db2.gz WFPLWUOVOLFUNG-UHFFFAOYSA-N 1 2 247.298 0.969 20 0 BCADLO C[C@H](CC(=O)N1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000581194580 367291148 /nfs/dbraw/zinc/29/11/48/367291148.db2.gz FWYDJZFKHGUGJN-MNOVXSKESA-N 1 2 237.303 0.818 20 0 BCADLO Cc1nnsc1C[N@@H+](C)C1(CO)CC1 ZINC000581194691 367291162 /nfs/dbraw/zinc/29/11/62/367291162.db2.gz HDNYBWSIRHZVFF-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnsc1C[N@H+](C)C1(CO)CC1 ZINC000581194691 367291164 /nfs/dbraw/zinc/29/11/64/367291164.db2.gz HDNYBWSIRHZVFF-UHFFFAOYSA-N 1 2 213.306 0.803 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194436540 367291877 /nfs/dbraw/zinc/29/18/77/367291877.db2.gz XBFVFKASDMRZDE-UWVGGRQHSA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194436540 367291884 /nfs/dbraw/zinc/29/18/84/367291884.db2.gz XBFVFKASDMRZDE-UWVGGRQHSA-N 1 2 239.323 0.336 20 0 BCADLO Cc1csc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000581343965 367358919 /nfs/dbraw/zinc/35/89/19/367358919.db2.gz PTGPLQKPWDZPHQ-UHFFFAOYSA-N 1 2 236.300 0.964 20 0 BCADLO COC1(C[NH2+]Cc2ccn[nH]2)CCOCC1 ZINC000381733910 367453353 /nfs/dbraw/zinc/45/33/53/367453353.db2.gz NZNHPZJGKTWGSF-UHFFFAOYSA-N 1 2 225.292 0.695 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000581529252 367551753 /nfs/dbraw/zinc/55/17/53/367551753.db2.gz ZLFMYLNBNRPYJF-NEPJUHHUSA-N 1 2 248.330 0.913 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000581529252 367551759 /nfs/dbraw/zinc/55/17/59/367551759.db2.gz ZLFMYLNBNRPYJF-NEPJUHHUSA-N 1 2 248.330 0.913 20 0 BCADLO C[C@@H](CC(=O)N1CC(C)(O)C1)n1cc[nH+]c1 ZINC000581493264 367522648 /nfs/dbraw/zinc/52/26/48/367522648.db2.gz LWNVMCJSHCOAGB-VIFPVBQESA-N 1 2 223.276 0.427 20 0 BCADLO CCOC1C[NH+](C[C@H](O)COC(C)C)C1 ZINC000383169797 367604485 /nfs/dbraw/zinc/60/44/85/367604485.db2.gz XFHOLKLHTZTSEN-JTQLQIEISA-N 1 2 217.309 0.493 20 0 BCADLO C[C@@H](CC(=O)NC1(CCO)CC1)n1cc[nH+]c1 ZINC000581671258 367700823 /nfs/dbraw/zinc/70/08/23/367700823.db2.gz MYFRUQLETXSITO-JTQLQIEISA-N 1 2 237.303 0.865 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000622353647 370863309 /nfs/dbraw/zinc/86/33/09/370863309.db2.gz XGSGWXDWAJQJJC-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO CCOC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000383957819 367662875 /nfs/dbraw/zinc/66/28/75/367662875.db2.gz BXEHKPKDUDLVSF-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CCOCC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC000581662509 367662947 /nfs/dbraw/zinc/66/29/47/367662947.db2.gz MFZUKIHPFZNZCQ-VIFPVBQESA-N 1 2 229.280 0.255 20 0 BCADLO CC[C@@H](O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000622364250 370869447 /nfs/dbraw/zinc/86/94/47/370869447.db2.gz PMYMLJAMFQEBMV-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ncccc1F ZINC000622366408 370870841 /nfs/dbraw/zinc/87/08/41/370870841.db2.gz BYZIXARNUHXPLR-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1[nH]cc[nH+]1 ZINC000622366711 370870958 /nfs/dbraw/zinc/87/09/58/370870958.db2.gz MDRTUVZRBMXFAE-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CC[C@H](O)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361384 370868145 /nfs/dbraw/zinc/86/81/45/370868145.db2.gz DQTKWXNTHJMXDJ-QMMMGPOBSA-N 1 2 211.265 0.529 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)[C@@H](C)O1 ZINC000384647189 367711512 /nfs/dbraw/zinc/71/15/12/367711512.db2.gz UBFPXECIKHZOES-BWZBUEFSSA-N 1 2 209.236 0.770 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC1(F)F ZINC000622384960 370881464 /nfs/dbraw/zinc/88/14/64/370881464.db2.gz YPVVKXVICHOOSZ-LURJTMIESA-N 1 2 201.176 0.681 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC1(F)F ZINC000622384960 370881468 /nfs/dbraw/zinc/88/14/68/370881468.db2.gz YPVVKXVICHOOSZ-LURJTMIESA-N 1 2 201.176 0.681 20 0 BCADLO C[C@@H](Oc1ccccn1)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384777 370881897 /nfs/dbraw/zinc/88/18/97/370881897.db2.gz RMFGQYBGRZMICP-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO C[C@@H](Oc1ccccn1)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384777 370881903 /nfs/dbraw/zinc/88/19/03/370881903.db2.gz RMFGQYBGRZMICP-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO Cc1cc(NC(=O)C[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000622368122 370871948 /nfs/dbraw/zinc/87/19/48/370871948.db2.gz JPHQASJANYXQOR-SNVBAGLBSA-N 1 2 247.298 0.667 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COCCOC ZINC000385327224 367820950 /nfs/dbraw/zinc/82/09/50/367820950.db2.gz JTEACMATKMQPNS-UHFFFAOYSA-N 1 2 241.291 0.182 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@]23CCNC3=O)cn1 ZINC000581832851 367837397 /nfs/dbraw/zinc/83/73/97/367837397.db2.gz VBGZBGBDNYAEKA-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@]23CCNC3=O)cn1 ZINC000581832851 367837401 /nfs/dbraw/zinc/83/74/01/367837401.db2.gz VBGZBGBDNYAEKA-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO COCCOC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000581858049 367845091 /nfs/dbraw/zinc/84/50/91/367845091.db2.gz RHCUXAJKQHZLCD-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000386939291 368036458 /nfs/dbraw/zinc/03/64/58/368036458.db2.gz TYHPRKACHHEVFJ-SECBINFHSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000386939291 368036459 /nfs/dbraw/zinc/03/64/59/368036459.db2.gz TYHPRKACHHEVFJ-SECBINFHSA-N 1 2 212.293 0.566 20 0 BCADLO COC(C)(C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000581997753 368100349 /nfs/dbraw/zinc/10/03/49/368100349.db2.gz ZACGIPYPXTXHTF-MRVPVSSYSA-N 1 2 243.332 0.684 20 0 BCADLO Cc1ncc(NCc2[nH+]ccn2C)cc1C(N)=O ZINC000630959691 368155922 /nfs/dbraw/zinc/15/59/22/368155922.db2.gz JSBVQVIQIBCUFZ-UHFFFAOYSA-N 1 2 245.286 0.835 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ncc[nH]1 ZINC000615710101 368217623 /nfs/dbraw/zinc/21/76/23/368217623.db2.gz MDBIYVWFHUPOLP-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](COC)OC ZINC000615709783 368217628 /nfs/dbraw/zinc/21/76/28/368217628.db2.gz JEPJUYAVVPWPJH-SECBINFHSA-N 1 2 241.291 0.181 20 0 BCADLO C[C@@H](CC(=O)N1CCOC1)n1cc[nH+]c1 ZINC000615763331 368284900 /nfs/dbraw/zinc/28/49/00/368284900.db2.gz IAZKYTSUZAMQJA-VIFPVBQESA-N 1 2 209.249 0.651 20 0 BCADLO C[C@H](CC(=O)N1CCOC1)n1cc[nH+]c1 ZINC000615763330 368284943 /nfs/dbraw/zinc/28/49/43/368284943.db2.gz IAZKYTSUZAMQJA-SECBINFHSA-N 1 2 209.249 0.651 20 0 BCADLO O=C(C[NH+]1CCN(CC(F)F)CC1)N1CCC1 ZINC000057912061 368504327 /nfs/dbraw/zinc/50/43/27/368504327.db2.gz LFQVRVSGQBJEAB-UHFFFAOYSA-N 1 2 247.289 0.101 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1[nH+]ccn1C ZINC000057620237 368496144 /nfs/dbraw/zinc/49/61/44/368496144.db2.gz OSNGNWFPDMDQBQ-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000566912507 326093548 /nfs/dbraw/zinc/09/35/48/326093548.db2.gz HVUIEVBOWKYTLZ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000566912507 326093551 /nfs/dbraw/zinc/09/35/51/326093551.db2.gz HVUIEVBOWKYTLZ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COCC1CC1 ZINC000058298141 368509329 /nfs/dbraw/zinc/50/93/29/368509329.db2.gz NDEQYSXEVKSYER-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO COCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058298233 368509986 /nfs/dbraw/zinc/50/99/86/368509986.db2.gz NATWIICCRKZVII-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn[nH]1 ZINC000058298004 368510075 /nfs/dbraw/zinc/51/00/75/368510075.db2.gz BEYZXAFATIQMJS-QMMMGPOBSA-N 1 2 219.248 0.425 20 0 BCADLO CO[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000063703828 368591390 /nfs/dbraw/zinc/59/13/90/368591390.db2.gz OQJAEEFWGDIEKV-VIFPVBQESA-N 1 2 223.276 0.645 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247724 368600582 /nfs/dbraw/zinc/60/05/82/368600582.db2.gz MVUPVDYQJOIVKS-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064247724 368600585 /nfs/dbraw/zinc/60/05/85/368600585.db2.gz MVUPVDYQJOIVKS-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1cn[nH]c1 ZINC000615889556 368617876 /nfs/dbraw/zinc/61/78/76/368617876.db2.gz BMIAJASSCVMVAK-NSHDSACASA-N 1 2 245.286 0.970 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615889549 368618428 /nfs/dbraw/zinc/61/84/28/368618428.db2.gz BMIAJASSCVMVAK-LLVKDONJSA-N 1 2 245.286 0.970 20 0 BCADLO CC[C@@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000065718961 368628158 /nfs/dbraw/zinc/62/81/58/368628158.db2.gz FBMBXDWRWMHJBP-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCCn1cc[nH+]c1 ZINC000067182091 368681498 /nfs/dbraw/zinc/68/14/98/368681498.db2.gz DEFVWKCQMRMJNR-UHFFFAOYSA-N 1 2 247.302 0.582 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457127564 203010843 /nfs/dbraw/zinc/01/08/43/203010843.db2.gz PLMVRZGNEYTGAN-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457127564 203010845 /nfs/dbraw/zinc/01/08/45/203010845.db2.gz PLMVRZGNEYTGAN-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO CCC1(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000457397450 203055063 /nfs/dbraw/zinc/05/50/63/203055063.db2.gz HFCUFBSZIJPBMH-UHFFFAOYSA-N 1 2 241.335 0.560 20 0 BCADLO C[C@H](C(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000457400460 203055671 /nfs/dbraw/zinc/05/56/71/203055671.db2.gz YUORNWLVZZOQAG-NSHDSACASA-N 1 2 240.347 0.871 20 0 BCADLO CCOCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000072532774 368772988 /nfs/dbraw/zinc/77/29/88/368772988.db2.gz RPWOGSRMHSJZSF-UHFFFAOYSA-N 1 2 233.271 0.987 20 0 BCADLO CN(C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000073359440 368803185 /nfs/dbraw/zinc/80/31/85/368803185.db2.gz IVRGKHCKOMZCOE-UHFFFAOYSA-N 1 2 248.330 0.881 20 0 BCADLO CCOC(=O)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000073644032 368812090 /nfs/dbraw/zinc/81/20/90/368812090.db2.gz VXMNRRSUCNWCOU-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO CC(C)(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000073795764 368817269 /nfs/dbraw/zinc/81/72/69/368817269.db2.gz VBTUVHWWNYAYKK-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO O=C(CCn1ccnn1)NCCCn1cc[nH+]c1 ZINC000073957413 368823151 /nfs/dbraw/zinc/82/31/51/368823151.db2.gz MXJVIAIJXRILGN-UHFFFAOYSA-N 1 2 248.290 0.071 20 0 BCADLO Cc1cnc(C[NH2+]C(C)(C)C(=O)N(C)C)o1 ZINC000072631532 368776860 /nfs/dbraw/zinc/77/68/60/368776860.db2.gz YAUMZJQAOJHMJY-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccno1 ZINC000072803277 368781269 /nfs/dbraw/zinc/78/12/69/368781269.db2.gz YDMRFQFPHOISND-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccno1 ZINC000072803277 368781270 /nfs/dbraw/zinc/78/12/70/368781270.db2.gz YDMRFQFPHOISND-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CSCC(=O)N(C)Cc1[nH+]ccn1C ZINC000072781790 368781371 /nfs/dbraw/zinc/78/13/71/368781371.db2.gz PBWQOYMDAUKAKP-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO COCCCNC(=O)C[N@H+](C)Cc1ccno1 ZINC000072981320 368788612 /nfs/dbraw/zinc/78/86/12/368788612.db2.gz AXORICTZWSVUAP-UHFFFAOYSA-N 1 2 241.291 0.259 20 0 BCADLO COCCCNC(=O)C[N@@H+](C)Cc1ccno1 ZINC000072981320 368788614 /nfs/dbraw/zinc/78/86/14/368788614.db2.gz AXORICTZWSVUAP-UHFFFAOYSA-N 1 2 241.291 0.259 20 0 BCADLO C[C@@H]1Cc2ccccc2N1c1nc(N)[nH+]c(N)n1 ZINC000623810222 368984174 /nfs/dbraw/zinc/98/41/74/368984174.db2.gz NYWQNYWMSHJLFZ-SSDOTTSWSA-N 1 2 242.286 0.779 20 0 BCADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000457436292 203063380 /nfs/dbraw/zinc/06/33/80/203063380.db2.gz IOBVLOZYQGRQRB-LLVKDONJSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000457501158 203070187 /nfs/dbraw/zinc/07/01/87/203070187.db2.gz DERHARHAZOQFPD-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000457501158 203070191 /nfs/dbraw/zinc/07/01/91/203070191.db2.gz DERHARHAZOQFPD-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCOC[C@H]1CO ZINC000618318176 369117651 /nfs/dbraw/zinc/11/76/51/369117651.db2.gz GZGHHSFIUSOQLX-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCOC[C@H]1CO ZINC000618318176 369117655 /nfs/dbraw/zinc/11/76/55/369117655.db2.gz GZGHHSFIUSOQLX-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457850939 203111895 /nfs/dbraw/zinc/11/18/95/203111895.db2.gz RKFJCZSTYHZVNT-VHSXEESVSA-N 1 2 236.319 0.918 20 0 BCADLO CC[C@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000567413147 326185698 /nfs/dbraw/zinc/18/56/98/326185698.db2.gz PWKNJNWXVGZWQD-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000618402337 369137043 /nfs/dbraw/zinc/13/70/43/369137043.db2.gz JVRPLSKPUZUNTM-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000618402337 369137047 /nfs/dbraw/zinc/13/70/47/369137047.db2.gz JVRPLSKPUZUNTM-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000618704667 369201645 /nfs/dbraw/zinc/20/16/45/369201645.db2.gz BLQUKTUAYHBTGB-WCQYABFASA-N 1 2 249.314 0.768 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC(O)(C1CC1)C1CC1 ZINC000619031408 369260621 /nfs/dbraw/zinc/26/06/21/369260621.db2.gz ZZLBEPYBGOYIQM-UHFFFAOYSA-N 1 2 249.314 0.550 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164648465 203240211 /nfs/dbraw/zinc/24/02/11/203240211.db2.gz FCXLNWQXKPMZNP-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164648465 203240214 /nfs/dbraw/zinc/24/02/14/203240214.db2.gz FCXLNWQXKPMZNP-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO CC[C@H]1COCC[N@@H+]1Cc1cnnn1CC ZINC000459383538 203272429 /nfs/dbraw/zinc/27/24/29/203272429.db2.gz WWSYUKMYNXUYIZ-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@H]1COCC[N@H+]1Cc1cnnn1CC ZINC000459383538 203272433 /nfs/dbraw/zinc/27/24/33/203272433.db2.gz WWSYUKMYNXUYIZ-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)O)[C@H](C)CC ZINC000459402710 203273534 /nfs/dbraw/zinc/27/35/34/203273534.db2.gz PEHORVPUBHCBME-UTLUCORTSA-N 1 2 217.309 0.935 20 0 BCADLO Cc1[nH]c(C(=O)NCC2CCC(O)CC2)c[nH+]1 ZINC000619417443 369337935 /nfs/dbraw/zinc/33/79/35/369337935.db2.gz DXRUYUJMSBGZDZ-UHFFFAOYSA-N 1 2 237.303 0.999 20 0 BCADLO CCN1CC[N@H+](CCc2cn[nH]c2)[C@@H](C)C1=O ZINC000459432198 203280987 /nfs/dbraw/zinc/28/09/87/203280987.db2.gz RUSPXNLGPHYLDT-JTQLQIEISA-N 1 2 236.319 0.505 20 0 BCADLO CCN1CC[N@@H+](CCc2cn[nH]c2)[C@@H](C)C1=O ZINC000459432198 203280990 /nfs/dbraw/zinc/28/09/90/203280990.db2.gz RUSPXNLGPHYLDT-JTQLQIEISA-N 1 2 236.319 0.505 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402618916 369388227 /nfs/dbraw/zinc/38/82/27/369388227.db2.gz UCLPHQYWTWNICO-NSHDSACASA-N 1 2 235.287 0.657 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1cnccn1 ZINC000402618916 369388231 /nfs/dbraw/zinc/38/82/31/369388231.db2.gz UCLPHQYWTWNICO-NSHDSACASA-N 1 2 235.287 0.657 20 0 BCADLO CSCCNC(=O)CCc1c[nH+]cn1C ZINC000619424440 369340215 /nfs/dbraw/zinc/34/02/15/369340215.db2.gz KWOYFOLKKZABST-UHFFFAOYSA-N 1 2 227.333 0.832 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000619433559 369352893 /nfs/dbraw/zinc/35/28/93/369352893.db2.gz NWNQRWIYHOPFQU-DCAQKATOSA-N 1 2 245.294 0.998 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCOC1 ZINC000619433559 369352896 /nfs/dbraw/zinc/35/28/96/369352896.db2.gz NWNQRWIYHOPFQU-DCAQKATOSA-N 1 2 245.294 0.998 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000459565036 203302716 /nfs/dbraw/zinc/30/27/16/203302716.db2.gz XKALHBZNMATSQB-ONGXEEELSA-N 1 2 233.308 0.579 20 0 BCADLO CC[C@H](O)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459564975 203303559 /nfs/dbraw/zinc/30/35/59/203303559.db2.gz WXNDZOAVNWSAFY-GXSJLCMTSA-N 1 2 233.308 0.315 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000459565034 203304171 /nfs/dbraw/zinc/30/41/71/203304171.db2.gz XKALHBZNMATSQB-KOLCDFICSA-N 1 2 233.308 0.579 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2conc2C)C1 ZINC000459613589 203316493 /nfs/dbraw/zinc/31/64/93/203316493.db2.gz VMXIBYCEATYVEB-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2conc2CC)C1 ZINC000459612872 203316796 /nfs/dbraw/zinc/31/67/96/203316796.db2.gz UUFOEQLQPURWGL-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)C(=O)OC ZINC000404178774 369420956 /nfs/dbraw/zinc/42/09/56/369420956.db2.gz AJLHKOJPKCZZBW-KOLCDFICSA-N 1 2 231.292 0.069 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(C)CC1 ZINC000623690741 369421553 /nfs/dbraw/zinc/42/15/53/369421553.db2.gz PAFMRULOUOXJDQ-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(C)CC1 ZINC000623690741 369421555 /nfs/dbraw/zinc/42/15/55/369421555.db2.gz PAFMRULOUOXJDQ-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO CCc1nc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000567807252 326260403 /nfs/dbraw/zinc/26/04/03/326260403.db2.gz PQOVBEGFSXFCBF-UHFFFAOYSA-N 1 2 220.236 0.202 20 0 BCADLO CCc1nnc(NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000567807252 326260404 /nfs/dbraw/zinc/26/04/04/326260404.db2.gz PQOVBEGFSXFCBF-UHFFFAOYSA-N 1 2 220.236 0.202 20 0 BCADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000459719070 203342635 /nfs/dbraw/zinc/34/26/35/203342635.db2.gz RSZSMUUGOKXXHI-VIFPVBQESA-N 1 2 240.307 0.901 20 0 BCADLO CCOC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000459719070 203342637 /nfs/dbraw/zinc/34/26/37/203342637.db2.gz RSZSMUUGOKXXHI-VIFPVBQESA-N 1 2 240.307 0.901 20 0 BCADLO C[C@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000622500588 370963720 /nfs/dbraw/zinc/96/37/20/370963720.db2.gz YMUNTBUNIVAZAH-NSHDSACASA-N 1 2 222.288 0.569 20 0 BCADLO C[C@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000622500588 370963724 /nfs/dbraw/zinc/96/37/24/370963724.db2.gz YMUNTBUNIVAZAH-NSHDSACASA-N 1 2 222.288 0.569 20 0 BCADLO Cc1ccn(CC(=O)NCCc2c[nH+]cn2C)n1 ZINC000622503496 370967090 /nfs/dbraw/zinc/96/70/90/370967090.db2.gz CQZPELBAPXIHQV-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459798147 203373500 /nfs/dbraw/zinc/37/35/00/203373500.db2.gz URSOXIGDLZNYDQ-IUCAKERBSA-N 1 2 237.332 0.698 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459798147 203373503 /nfs/dbraw/zinc/37/35/03/203373503.db2.gz URSOXIGDLZNYDQ-IUCAKERBSA-N 1 2 237.332 0.698 20 0 BCADLO CCCCNC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459796367 203372642 /nfs/dbraw/zinc/37/26/42/203372642.db2.gz RJHVVHAWHOWLNS-JTQLQIEISA-N 1 2 238.335 0.987 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000166107266 203387436 /nfs/dbraw/zinc/38/74/36/203387436.db2.gz QHKUOXYFQRJCMU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000166107266 203387439 /nfs/dbraw/zinc/38/74/39/203387439.db2.gz QHKUOXYFQRJCMU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000166107391 203387974 /nfs/dbraw/zinc/38/79/74/203387974.db2.gz QHKUOXYFQRJCMU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000166107391 203387976 /nfs/dbraw/zinc/38/79/76/203387976.db2.gz QHKUOXYFQRJCMU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000619815335 369600690 /nfs/dbraw/zinc/60/06/90/369600690.db2.gz WCJFUNIDSFTUEM-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000619815335 369600693 /nfs/dbraw/zinc/60/06/93/369600693.db2.gz WCJFUNIDSFTUEM-ZETCQYMHSA-N 1 2 223.219 0.863 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC1=CCCC1 ZINC000620007389 369663847 /nfs/dbraw/zinc/66/38/47/369663847.db2.gz YQYFGQFLYNKAHU-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC1=CCCC1 ZINC000620007389 369663851 /nfs/dbraw/zinc/66/38/51/369663851.db2.gz YQYFGQFLYNKAHU-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO Cc1[nH]c(C(=O)NC2([C@H](C)O)CC2)c[nH+]1 ZINC000620068262 369701718 /nfs/dbraw/zinc/70/17/18/369701718.db2.gz RVPWRGWNZYOYBD-LURJTMIESA-N 1 2 209.249 0.361 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620141691 369746851 /nfs/dbraw/zinc/74/68/51/369746851.db2.gz XTPXCEFIGZBTTC-QWRGUYRKSA-N 1 2 249.314 0.756 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC1(C)C ZINC000158036214 326305420 /nfs/dbraw/zinc/30/54/20/326305420.db2.gz ZJRWSGOBIXMEGT-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@]1(C)CO ZINC000620454936 369884337 /nfs/dbraw/zinc/88/43/37/369884337.db2.gz FUWWSZRQELQINT-ZYHUDNBSSA-N 1 2 237.303 0.360 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597650 369948772 /nfs/dbraw/zinc/94/87/72/369948772.db2.gz YAJBISJWFUMHEA-YUMQZZPRSA-N 1 2 211.265 0.632 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620599969 369949151 /nfs/dbraw/zinc/94/91/51/369949151.db2.gz KTQKFJSCCAYQMR-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO C[C@@H](NC(=O)c1ccncn1)c1[nH+]ccn1C ZINC000620606522 369954124 /nfs/dbraw/zinc/95/41/24/369954124.db2.gz VNPUBOMPSXJCDG-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606722 369956078 /nfs/dbraw/zinc/95/60/78/369956078.db2.gz ZGFQIGJSTQVPRE-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO Cc1ccn(CC(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000620609495 369956536 /nfs/dbraw/zinc/95/65/36/369956536.db2.gz RHZQXCMXOUJTEN-JTQLQIEISA-N 1 2 247.302 0.802 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608415 369956719 /nfs/dbraw/zinc/95/67/19/369956719.db2.gz NVTMNBKOWZTCBY-DTWKUNHWSA-N 1 2 225.292 0.614 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620612040 369957869 /nfs/dbraw/zinc/95/78/69/369957869.db2.gz PUEJPSGDIFTKAC-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000620547652 369912296 /nfs/dbraw/zinc/91/22/96/369912296.db2.gz DPFHXRQWVBHVOZ-NDMJEZRESA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000620548266 369913077 /nfs/dbraw/zinc/91/30/77/369913077.db2.gz RVXWQUSKFJJOJS-BREBYQMCSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)Cc1[nH+]c[nH]c1C ZINC000620549558 369914082 /nfs/dbraw/zinc/91/40/82/369914082.db2.gz GMUPKSLFTSPIHR-KOLCDFICSA-N 1 2 223.276 0.554 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000620550113 369915171 /nfs/dbraw/zinc/91/51/71/369915171.db2.gz UQVGCRSXNHEBBL-KOLCDFICSA-N 1 2 223.276 0.636 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000620550113 369915175 /nfs/dbraw/zinc/91/51/75/369915175.db2.gz UQVGCRSXNHEBBL-KOLCDFICSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCCO1)c1[nH+]ccn1C ZINC000620592580 369945500 /nfs/dbraw/zinc/94/55/00/369945500.db2.gz OKGXAKAAHQBWFT-RKDXNWHRSA-N 1 2 223.276 0.776 20 0 BCADLO COCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620596911 369947618 /nfs/dbraw/zinc/94/76/18/369947618.db2.gz VTOSVZBZIJABDD-QMMMGPOBSA-N 1 2 211.265 0.634 20 0 BCADLO C[C@@H](NC(=O)Cn1cccn1)c1[nH+]ccn1C ZINC000620595633 369948007 /nfs/dbraw/zinc/94/80/07/369948007.db2.gz IIAMSMOCRWHBDS-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620877706 370030983 /nfs/dbraw/zinc/03/09/83/370030983.db2.gz AJBVNTRAHHAHTH-ZYUZMQFOSA-N 1 2 235.287 0.163 20 0 BCADLO COc1cc(C(=O)N2CC[NH+](C)CC2)sn1 ZINC000621250496 370183878 /nfs/dbraw/zinc/18/38/78/370183878.db2.gz CXDAGEATJMSKRX-UHFFFAOYSA-N 1 2 241.316 0.539 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccoc1 ZINC000621250238 370184351 /nfs/dbraw/zinc/18/43/51/370184351.db2.gz UMLKODXQIHQZQI-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccoc1 ZINC000621250238 370184355 /nfs/dbraw/zinc/18/43/55/370184355.db2.gz UMLKODXQIHQZQI-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO COC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000568195909 326324391 /nfs/dbraw/zinc/32/43/91/326324391.db2.gz ULTORIXUZZEKKY-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621299095 370227717 /nfs/dbraw/zinc/22/77/17/370227717.db2.gz TZLJUPWMKLIHNO-LLVKDONJSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621299095 370227722 /nfs/dbraw/zinc/22/77/22/370227722.db2.gz TZLJUPWMKLIHNO-LLVKDONJSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621260753 370193641 /nfs/dbraw/zinc/19/36/41/370193641.db2.gz ONICEQXRFWKSGG-PHIMTYICSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621260753 370193644 /nfs/dbraw/zinc/19/36/44/370193644.db2.gz ONICEQXRFWKSGG-PHIMTYICSA-N 1 2 242.706 0.663 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000621274890 370205119 /nfs/dbraw/zinc/20/51/19/370205119.db2.gz BWQWBBXPLWNLFI-BDAKNGLRSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000621274890 370205122 /nfs/dbraw/zinc/20/51/22/370205122.db2.gz BWQWBBXPLWNLFI-BDAKNGLRSA-N 1 2 238.328 0.216 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621379333 370323143 /nfs/dbraw/zinc/32/31/43/370323143.db2.gz RSIRWLAHJAMUMK-VIFPVBQESA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnnc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621379333 370323146 /nfs/dbraw/zinc/32/31/46/370323146.db2.gz RSIRWLAHJAMUMK-VIFPVBQESA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000064468288 370332970 /nfs/dbraw/zinc/33/29/70/370332970.db2.gz JFHAJHIMEDJWKN-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc(O)cc1 ZINC000094687815 370443044 /nfs/dbraw/zinc/44/30/44/370443044.db2.gz VEINUONDJSLPOL-UHFFFAOYSA-N 1 2 209.245 0.997 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000094687815 370443053 /nfs/dbraw/zinc/44/30/53/370443053.db2.gz VEINUONDJSLPOL-UHFFFAOYSA-N 1 2 209.245 0.997 20 0 BCADLO CC(=O)N1CC[NH+](Cc2nccnc2C)CC1 ZINC000621709584 370454823 /nfs/dbraw/zinc/45/48/23/370454823.db2.gz YBEXPYALTDSNTL-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000621710137 370456275 /nfs/dbraw/zinc/45/62/75/370456275.db2.gz ULZCRYIEFHVNSO-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccnc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000621710137 370456277 /nfs/dbraw/zinc/45/62/77/370456277.db2.gz ULZCRYIEFHVNSO-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000621731584 370483560 /nfs/dbraw/zinc/48/35/60/370483560.db2.gz UCOSPFAJXZTRNK-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000621731584 370483561 /nfs/dbraw/zinc/48/35/61/370483561.db2.gz UCOSPFAJXZTRNK-ZYHUDNBSSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nnc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1C ZINC000621951232 370616403 /nfs/dbraw/zinc/61/64/03/370616403.db2.gz RLTKAARIXAJUKR-UHFFFAOYSA-N 1 2 248.290 0.763 20 0 BCADLO Cc1nnc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1C ZINC000621951232 370616407 /nfs/dbraw/zinc/61/64/07/370616407.db2.gz RLTKAARIXAJUKR-UHFFFAOYSA-N 1 2 248.290 0.763 20 0 BCADLO Cc1nc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n(C)n1 ZINC000621952503 370616902 /nfs/dbraw/zinc/61/69/02/370616902.db2.gz IAAXVALDJUPAMQ-UHFFFAOYSA-N 1 2 248.290 0.185 20 0 BCADLO Cc1nc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n(C)n1 ZINC000621952503 370616908 /nfs/dbraw/zinc/61/69/08/370616908.db2.gz IAAXVALDJUPAMQ-UHFFFAOYSA-N 1 2 248.290 0.185 20 0 BCADLO COC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621940640 370610987 /nfs/dbraw/zinc/61/09/87/370610987.db2.gz VMBOESPAGHURCG-MRVPVSSYSA-N 1 2 225.292 0.838 20 0 BCADLO COC(=O)C(C)(C)[NH2+][C@@H]1CCCOC1 ZINC000070013200 371002976 /nfs/dbraw/zinc/00/29/76/371002976.db2.gz MCLMDMDYBDZYIN-MRVPVSSYSA-N 1 2 201.266 0.707 20 0 BCADLO CCO[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685708 371061828 /nfs/dbraw/zinc/06/18/28/371061828.db2.gz GOYQIHHKEQDDGB-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)n(C)n1 ZINC000622685767 371062602 /nfs/dbraw/zinc/06/26/02/371062602.db2.gz JTUHTSNBRBBIIU-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC2(F)F)c1 ZINC000622686711 371063588 /nfs/dbraw/zinc/06/35/88/371063588.db2.gz QNFOHXXHVQRVQH-MRVPVSSYSA-N 1 2 229.230 0.734 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC23CC3)c1 ZINC000622686952 371064115 /nfs/dbraw/zinc/06/41/15/371064115.db2.gz ZHJQIHRLXYDFIH-SNVBAGLBSA-N 1 2 219.288 0.879 20 0 BCADLO Cc1ccn(CC(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000622686769 371064230 /nfs/dbraw/zinc/06/42/30/371064230.db2.gz RVKQPGUEKYRZCJ-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO CC1CC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623729678 371070921 /nfs/dbraw/zinc/07/09/21/371070921.db2.gz JLKFYDCPLQTYFR-VQXHTEKXSA-N 1 2 241.335 0.415 20 0 BCADLO CC1CC(NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623729678 371070928 /nfs/dbraw/zinc/07/09/28/371070928.db2.gz JLKFYDCPLQTYFR-VQXHTEKXSA-N 1 2 241.335 0.415 20 0 BCADLO Cc1cccc2c1CCN2c1nc(N)[nH+]c(N)n1 ZINC000623908516 371149885 /nfs/dbraw/zinc/14/98/85/371149885.db2.gz FAKBRCWYIZIHIU-UHFFFAOYSA-N 1 2 242.286 0.699 20 0 BCADLO C[C@H]([NH2+]Cc1ncn(C)n1)[C@H]1CCCCO1 ZINC000623927588 371159701 /nfs/dbraw/zinc/15/97/01/371159701.db2.gz NHZITYULJJFVRK-VHSXEESVSA-N 1 2 224.308 0.862 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000390503203 371208931 /nfs/dbraw/zinc/20/89/31/371208931.db2.gz VSYONCYLJYFUQV-BDAKNGLRSA-N 1 2 229.276 0.481 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000155980337 371331236 /nfs/dbraw/zinc/33/12/36/371331236.db2.gz QNLSIEDUJVFKDC-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000155980337 371331240 /nfs/dbraw/zinc/33/12/40/371331240.db2.gz QNLSIEDUJVFKDC-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CCN(CC(=O)OC)C(=O)CCc1c[nH+]c[nH]1 ZINC000280488592 371328018 /nfs/dbraw/zinc/32/80/18/371328018.db2.gz JWGAMERUXXRETC-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO CCN(CC(=O)OC)C(=O)CCc1c[nH]c[nH+]1 ZINC000280488592 371328021 /nfs/dbraw/zinc/32/80/21/371328021.db2.gz JWGAMERUXXRETC-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO C/C=C\CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000624187681 371376885 /nfs/dbraw/zinc/37/68/85/371376885.db2.gz DRAILBOBNUPNFV-ARJAWSKDSA-N 1 2 222.292 0.838 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC12CC2 ZINC000624245447 371431043 /nfs/dbraw/zinc/43/10/43/371431043.db2.gz DPFHPBLKMCUYPD-VHSXEESVSA-N 1 2 239.319 0.169 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC12CC2 ZINC000624245447 371431046 /nfs/dbraw/zinc/43/10/46/371431046.db2.gz DPFHPBLKMCUYPD-VHSXEESVSA-N 1 2 239.319 0.169 20 0 BCADLO C[C@@H](c1cn[nH]c1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624251974 371436848 /nfs/dbraw/zinc/43/68/48/371436848.db2.gz YHLPERUHNYBOLC-WPRPVWTQSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@@H](c1cn[nH]c1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624251974 371436851 /nfs/dbraw/zinc/43/68/51/371436851.db2.gz YHLPERUHNYBOLC-WPRPVWTQSA-N 1 2 238.291 0.047 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](CO)[C@H](CO)C1 ZINC000624479509 371517708 /nfs/dbraw/zinc/51/77/08/371517708.db2.gz GCCZJFMPYSEJOI-UWVGGRQHSA-N 1 2 238.287 0.127 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC2(C1)CCCO2 ZINC000624544314 371537951 /nfs/dbraw/zinc/53/79/51/371537951.db2.gz MHLQOAWYPTXYDE-UHFFFAOYSA-N 1 2 236.275 0.437 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC2(C1)CCCO2 ZINC000624544314 371537956 /nfs/dbraw/zinc/53/79/56/371537956.db2.gz MHLQOAWYPTXYDE-UHFFFAOYSA-N 1 2 236.275 0.437 20 0 BCADLO O=C(c1cc[nH]c1)N1CCc2[nH]c[nH+]c2C1 ZINC000627368456 371585089 /nfs/dbraw/zinc/58/50/89/371585089.db2.gz VFUZYXHFPPPNQT-UHFFFAOYSA-N 1 2 216.244 0.936 20 0 BCADLO O=C(c1cc[nH]c1)N1CCc2[nH+]c[nH]c2C1 ZINC000627368456 371585094 /nfs/dbraw/zinc/58/50/94/371585094.db2.gz VFUZYXHFPPPNQT-UHFFFAOYSA-N 1 2 216.244 0.936 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)ncn1 ZINC000627370055 371588664 /nfs/dbraw/zinc/58/86/64/371588664.db2.gz MNNZOMDXFBDPNS-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000627370055 371588668 /nfs/dbraw/zinc/58/86/68/371588668.db2.gz MNNZOMDXFBDPNS-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO O=C(COC(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000627371406 371590093 /nfs/dbraw/zinc/59/00/93/371590093.db2.gz DFSUASMWNYIFDR-UHFFFAOYSA-N 1 2 231.202 0.534 20 0 BCADLO O=C(COC(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000627371406 371590096 /nfs/dbraw/zinc/59/00/96/371590096.db2.gz DFSUASMWNYIFDR-UHFFFAOYSA-N 1 2 231.202 0.534 20 0 BCADLO O=C([C@@H]1CC1(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000627373497 371592451 /nfs/dbraw/zinc/59/24/51/371592451.db2.gz SYSUBZUYQWXLQL-LURJTMIESA-N 1 2 227.214 0.950 20 0 BCADLO O=C([C@@H]1CC1(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000627373497 371592456 /nfs/dbraw/zinc/59/24/56/371592456.db2.gz SYSUBZUYQWXLQL-LURJTMIESA-N 1 2 227.214 0.950 20 0 BCADLO COc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)co1 ZINC000627465199 371639350 /nfs/dbraw/zinc/63/93/50/371639350.db2.gz ASGAEWZHSLEJFF-ZCFIWIBFSA-N 1 2 236.231 0.897 20 0 BCADLO CCc1cc(N[C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000217502094 371965994 /nfs/dbraw/zinc/96/59/94/371965994.db2.gz XKFKMYPGFWEMEV-VIFPVBQESA-N 1 2 220.276 0.682 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000058888795 372110448 /nfs/dbraw/zinc/11/04/48/372110448.db2.gz YFBDNLHUJSVAJH-LURJTMIESA-N 1 2 210.199 0.746 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000058888795 372110453 /nfs/dbraw/zinc/11/04/53/372110453.db2.gz YFBDNLHUJSVAJH-LURJTMIESA-N 1 2 210.199 0.746 20 0 BCADLO O=C(c1cocn1)N1CC[NH+](CCCF)CC1 ZINC000627957621 372154518 /nfs/dbraw/zinc/15/45/18/372154518.db2.gz KEXLOJDLHIWEHC-UHFFFAOYSA-N 1 2 241.266 0.792 20 0 BCADLO Cc1c(Cl)c(C[NH2+][C@@H]2COC[C@@H]2O)nn1C ZINC000631201035 372232273 /nfs/dbraw/zinc/23/22/73/372232273.db2.gz PDDJZJMGWCAYFW-BDAKNGLRSA-N 1 2 245.710 0.231 20 0 BCADLO Cc1oc(C(=O)NCCc2[nH]cc[nH+]2)cc1CO ZINC000631208434 372237028 /nfs/dbraw/zinc/23/70/28/372237028.db2.gz YMBKQDLRNVNMFX-UHFFFAOYSA-N 1 2 249.270 0.776 20 0 BCADLO COCCn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000631238254 372255387 /nfs/dbraw/zinc/25/53/87/372255387.db2.gz HDONGBHGSAAXJP-UHFFFAOYSA-N 1 2 249.274 0.183 20 0 BCADLO CC(C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000171135728 372352363 /nfs/dbraw/zinc/35/23/63/372352363.db2.gz UIWIIWHXFIRTKL-LLVKDONJSA-N 1 2 227.352 0.395 20 0 BCADLO C[C@@H](CNC(=O)C1CSC1)Cn1cc[nH+]c1 ZINC000631424015 372353639 /nfs/dbraw/zinc/35/36/39/372353639.db2.gz JCJQHTWFUAVNPY-VIFPVBQESA-N 1 2 239.344 0.998 20 0 BCADLO Cc1cc(NC2CN(c3ccncn3)C2)nc[nH+]1 ZINC000631530440 372412992 /nfs/dbraw/zinc/41/29/92/372412992.db2.gz PVZATWGWMVWQGZ-UHFFFAOYSA-N 1 2 242.286 0.876 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]c(=O)n1C ZINC000631594937 372447432 /nfs/dbraw/zinc/44/74/32/372447432.db2.gz PFAHJZHQQJYTQS-UHFFFAOYSA-N 1 2 235.247 0.087 20 0 BCADLO CC[C@@H](CS(=O)(=O)NCc1[nH]cc[nH+]1)OC ZINC000632144134 372774143 /nfs/dbraw/zinc/77/41/43/372774143.db2.gz PMOAIFWSQHXVEW-QMMMGPOBSA-N 1 2 247.320 0.254 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NS(C)(=O)=O ZINC000632405641 372923403 /nfs/dbraw/zinc/92/34/03/372923403.db2.gz XDESHPPQDPWZNR-SSDOTTSWSA-N 1 2 217.294 0.513 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378306506 182029639 /nfs/dbraw/zinc/02/96/39/182029639.db2.gz FEVLRUGXHWYEIC-NXEZZACHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378306506 182029641 /nfs/dbraw/zinc/02/96/41/182029641.db2.gz FEVLRUGXHWYEIC-NXEZZACHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(Cc1ccn[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000121550376 182052109 /nfs/dbraw/zinc/05/21/09/182052109.db2.gz UQNXVQWSNQWPLX-UHFFFAOYSA-N 1 2 234.303 0.259 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)CCCF ZINC000632583491 373019076 /nfs/dbraw/zinc/01/90/76/373019076.db2.gz FDWYVGJDOLNYFE-UHFFFAOYSA-N 1 2 249.311 0.682 20 0 BCADLO O=C(Cc1ncccc1F)NCCn1cc[nH+]c1 ZINC000280963402 182061382 /nfs/dbraw/zinc/06/13/82/182061382.db2.gz YMJWQPJEKFEXCW-UHFFFAOYSA-N 1 2 248.261 0.776 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCSC1 ZINC000360471910 182070397 /nfs/dbraw/zinc/07/03/97/182070397.db2.gz DGRWFSSDSAHNMW-SECBINFHSA-N 1 2 225.317 0.752 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]1C1CC1 ZINC000360470887 182070795 /nfs/dbraw/zinc/07/07/95/182070795.db2.gz XTVDVQQHXUAMEM-UWVGGRQHSA-N 1 2 205.261 0.798 20 0 BCADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1nccs1 ZINC000172802286 373081423 /nfs/dbraw/zinc/08/14/23/373081423.db2.gz DISTWRZADXHEFV-MRVPVSSYSA-N 1 2 241.316 0.437 20 0 BCADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1nccs1 ZINC000172802286 373081426 /nfs/dbraw/zinc/08/14/26/373081426.db2.gz DISTWRZADXHEFV-MRVPVSSYSA-N 1 2 241.316 0.437 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCOC1 ZINC000266793442 182071358 /nfs/dbraw/zinc/07/13/58/182071358.db2.gz BQPZVJFAXSFNEW-VIFPVBQESA-N 1 2 209.249 0.178 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333972338 182085770 /nfs/dbraw/zinc/08/57/70/182085770.db2.gz XAOUOOKFZPYDQL-YIZRAAEISA-N 1 2 246.266 0.763 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCSC1 ZINC000336511962 182085847 /nfs/dbraw/zinc/08/58/47/182085847.db2.gz CHBNBERXVCBCBN-ZETCQYMHSA-N 1 2 224.285 0.901 20 0 BCADLO O=C(N1CCCO1)C1([NH+]2CCOCC2)CCC1 ZINC000368391707 182081709 /nfs/dbraw/zinc/08/17/09/182081709.db2.gz CNERBLPCVNVOPB-UHFFFAOYSA-N 1 2 240.303 0.405 20 0 BCADLO O=C(N1CCn2cc[nH+]c2C1)C1(O)CCCCC1 ZINC000336569081 182083190 /nfs/dbraw/zinc/08/31/90/182083190.db2.gz UHWJWKZNFDMOQR-UHFFFAOYSA-N 1 2 249.314 0.921 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632978011 373241546 /nfs/dbraw/zinc/24/15/46/373241546.db2.gz WDGMJRLHXJALBL-HTQZYQBOSA-N 1 2 208.265 0.960 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000633017687 373252777 /nfs/dbraw/zinc/25/27/77/373252777.db2.gz WQPONCPNMSLJNW-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000633170524 373319172 /nfs/dbraw/zinc/31/91/72/373319172.db2.gz MZWRCDJRZSVVNJ-VXNVDRBHSA-N 1 2 238.291 0.502 20 0 BCADLO CC(=O)CN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000633220303 373362101 /nfs/dbraw/zinc/36/21/01/373362101.db2.gz GENZYIDTKGAEDU-UHFFFAOYSA-N 1 2 237.303 0.789 20 0 BCADLO O=C(NCC(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC000289742085 182123654 /nfs/dbraw/zinc/12/36/54/182123654.db2.gz HOMYDERYXFDSFU-UHFFFAOYSA-N 1 2 248.208 0.971 20 0 BCADLO O=C(CC1CSC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304195 373461580 /nfs/dbraw/zinc/46/15/80/373461580.db2.gz DCHMPMPGGMZQSX-SECBINFHSA-N 1 2 237.328 0.677 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CSC1 ZINC000633304553 373461914 /nfs/dbraw/zinc/46/19/14/373461914.db2.gz NRYBCXZYGPWIEB-QMMMGPOBSA-N 1 2 223.301 0.287 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@@H](C)O1 ZINC000633304842 373462245 /nfs/dbraw/zinc/46/22/45/373462245.db2.gz VRGDXOMFKZDYJW-SVDPJWKOSA-N 1 2 249.314 0.738 20 0 BCADLO Cc1conc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304131 373462539 /nfs/dbraw/zinc/46/25/39/373462539.db2.gz BDJPRVGULDGQAI-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO O=C(NCC1(O)CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364425937 182131716 /nfs/dbraw/zinc/13/17/16/182131716.db2.gz PTDPEOLHPQDBEU-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO O=C(NCC1(O)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000333428900 182131734 /nfs/dbraw/zinc/13/17/34/182131734.db2.gz JGVKEKRDAYLLME-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO O=C(NCC1CC1)C1([NH+]2CCOCC2)CCC1 ZINC000378373362 182136720 /nfs/dbraw/zinc/13/67/20/182136720.db2.gz COGWTBGCSSCBBZ-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO Cc1nocc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000633393356 373521379 /nfs/dbraw/zinc/52/13/79/373521379.db2.gz OBHBIKJVNYHJNY-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CCC1 ZINC000042898305 182177547 /nfs/dbraw/zinc/17/75/47/182177547.db2.gz NNBSNALOHQRSIN-UHFFFAOYSA-N 1 2 208.265 0.689 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NCC(F)F ZINC000173270339 182177584 /nfs/dbraw/zinc/17/75/84/182177584.db2.gz IGFZPSDOICKUST-UHFFFAOYSA-N 1 2 232.234 0.838 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ccncn1 ZINC000275084913 182179315 /nfs/dbraw/zinc/17/93/15/182179315.db2.gz GAQUYOGAHVMNME-UHFFFAOYSA-N 1 2 231.259 0.493 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@H]1C(F)F ZINC000338093463 182186406 /nfs/dbraw/zinc/18/64/06/182186406.db2.gz VEDRSJAFSYXTPG-BDAKNGLRSA-N 1 2 248.273 0.336 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)COC1 ZINC000634191426 374007416 /nfs/dbraw/zinc/00/74/16/374007416.db2.gz JVTZYDGXUIRNFD-RKDXNWHRSA-N 1 2 235.287 0.429 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1ccco1 ZINC000030989570 182215567 /nfs/dbraw/zinc/21/55/67/182215567.db2.gz NWRUPKPEKLICEQ-UHFFFAOYSA-N 1 2 234.259 0.976 20 0 BCADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)COC1 ZINC000634192462 374011943 /nfs/dbraw/zinc/01/19/43/374011943.db2.gz XZCJTXKTWYLODB-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCCOCC1 ZINC000336593444 182215599 /nfs/dbraw/zinc/21/55/99/182215599.db2.gz KIZTXAVDHMEYDS-UHFFFAOYSA-N 1 2 238.291 0.315 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000368088811 182215316 /nfs/dbraw/zinc/21/53/16/182215316.db2.gz GCLLBLLAYJXFCL-IJLUTSLNSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000041043080 182216192 /nfs/dbraw/zinc/21/61/92/182216192.db2.gz OKCYRDNUCREHKY-UHFFFAOYSA-N 1 2 205.221 0.036 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCS1 ZINC000266499393 182216883 /nfs/dbraw/zinc/21/68/83/182216883.db2.gz FUJWNHADXHUOKJ-SECBINFHSA-N 1 2 225.317 0.895 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(N)CC1(F)F ZINC000634251867 374050937 /nfs/dbraw/zinc/05/09/37/374050937.db2.gz NYCWRTTYVRZGIG-CBAPKCEASA-N 1 2 244.245 0.124 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070265528 374134609 /nfs/dbraw/zinc/13/46/09/374134609.db2.gz RGXJWOYRASGKMQ-LLVKDONJSA-N 1 2 246.376 0.896 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000070265528 374134614 /nfs/dbraw/zinc/13/46/14/374134614.db2.gz RGXJWOYRASGKMQ-LLVKDONJSA-N 1 2 246.376 0.896 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCSC1)[C@H](C)O ZINC000191021592 205926378 /nfs/dbraw/zinc/92/63/78/205926378.db2.gz QIFYZXBEMVPFKI-XLPZGREQSA-N 1 2 219.306 0.004 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccoc1 ZINC000178627663 182227468 /nfs/dbraw/zinc/22/74/68/182227468.db2.gz UTQNBPMTIKCCHW-LLVKDONJSA-N 1 2 235.287 0.009 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000090698459 182228463 /nfs/dbraw/zinc/22/84/63/182228463.db2.gz REVFCZYWTJTHEK-CYBMUJFWSA-N 1 2 245.326 0.416 20 0 BCADLO O=C(NCC1C[NH2+]CCO1)C1CCCCC1 ZINC000036285473 182229619 /nfs/dbraw/zinc/22/96/19/182229619.db2.gz KZPOICPSUHFUEB-NSHDSACASA-N 1 2 226.320 0.671 20 0 BCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C(F)F ZINC000365501482 182245446 /nfs/dbraw/zinc/24/54/46/182245446.db2.gz ARHKHLZURUJJBW-QMMMGPOBSA-N 1 2 234.246 0.231 20 0 BCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C(F)F ZINC000365501482 182245447 /nfs/dbraw/zinc/24/54/47/182245447.db2.gz ARHKHLZURUJJBW-QMMMGPOBSA-N 1 2 234.246 0.231 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096642028 182238897 /nfs/dbraw/zinc/23/88/97/182238897.db2.gz WLPNIMWPPFHMHC-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)c(C)o1 ZINC000143416150 374179908 /nfs/dbraw/zinc/17/99/08/374179908.db2.gz ATMLVEYGLBXTGV-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)c(C)o1 ZINC000143416150 374179921 /nfs/dbraw/zinc/17/99/21/374179921.db2.gz ATMLVEYGLBXTGV-UHFFFAOYSA-N 1 2 240.259 0.292 20 0 BCADLO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193488704 205987897 /nfs/dbraw/zinc/98/78/97/205987897.db2.gz HSRJUUUYPQRYCI-KOLCDFICSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193488704 205987901 /nfs/dbraw/zinc/98/79/01/205987901.db2.gz HSRJUUUYPQRYCI-KOLCDFICSA-N 1 2 239.323 0.193 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(O)CCC1 ZINC000184589681 182264215 /nfs/dbraw/zinc/26/42/15/182264215.db2.gz JSLLKMXYZVIVTR-UHFFFAOYSA-N 1 2 245.282 0.866 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000634413539 374243523 /nfs/dbraw/zinc/24/35/23/374243523.db2.gz OIPRDNDBMQFKIH-VWYCJHECSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2ncccc12 ZINC000361483602 182273352 /nfs/dbraw/zinc/27/33/52/182273352.db2.gz GJRFROIXRPXXAL-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CSCCS1 ZINC000267489949 182274205 /nfs/dbraw/zinc/27/42/05/182274205.db2.gz WKIPZJPQVZDJAJ-ZETCQYMHSA-N 1 2 243.357 0.875 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn(CCF)c1 ZINC000353511937 182274343 /nfs/dbraw/zinc/27/43/43/182274343.db2.gz WBPLRXLEEOFXEG-UHFFFAOYSA-N 1 2 237.238 0.506 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356570956 182274498 /nfs/dbraw/zinc/27/44/98/182274498.db2.gz CXBVSWYZRHRRPP-SFGNSQDASA-N 1 2 221.260 0.451 20 0 BCADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cn[nH]n1 ZINC000263886401 182268266 /nfs/dbraw/zinc/26/82/66/182268266.db2.gz YJBPFJWXTKUXKL-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cnn[nH]1 ZINC000263886401 182268269 /nfs/dbraw/zinc/26/82/69/182268269.db2.gz YJBPFJWXTKUXKL-UHFFFAOYSA-N 1 2 246.274 0.268 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]1C(F)F ZINC000338199094 182269690 /nfs/dbraw/zinc/26/96/90/182269690.db2.gz VGGSZFPCTMOCQM-NKWVEPMBSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]1C(F)F ZINC000338199094 182269692 /nfs/dbraw/zinc/26/96/92/182269692.db2.gz VGGSZFPCTMOCQM-NKWVEPMBSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1nccn2ccnc12 ZINC000340582861 182270173 /nfs/dbraw/zinc/27/01/73/182270173.db2.gz DKIQRQJANJXMRV-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1nccn2ccnc12 ZINC000340582861 182270176 /nfs/dbraw/zinc/27/01/76/182270176.db2.gz DKIQRQJANJXMRV-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H](O)C1CCCCC1 ZINC000331250572 182270765 /nfs/dbraw/zinc/27/07/65/182270765.db2.gz OOUTTXOMZCTLJL-NSHDSACASA-N 1 2 237.303 0.967 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H](O)C1CCCCC1 ZINC000331250572 182270769 /nfs/dbraw/zinc/27/07/69/182270769.db2.gz OOUTTXOMZCTLJL-NSHDSACASA-N 1 2 237.303 0.967 20 0 BCADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1F ZINC000424519202 206042230 /nfs/dbraw/zinc/04/22/30/206042230.db2.gz AIGQZPSCTRMKAO-ONGXEEELSA-N 1 2 230.283 0.183 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364932064 182295414 /nfs/dbraw/zinc/29/54/14/182295414.db2.gz HORRMRJBTVIVRG-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO CCOCC[N@H+](CC)Cc1nnc(C)[nH]1 ZINC000428237907 206053901 /nfs/dbraw/zinc/05/39/01/206053901.db2.gz LTDZQULSUGVUPO-UHFFFAOYSA-N 1 2 212.297 0.972 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nnc(C)[nH]1 ZINC000428237907 206053903 /nfs/dbraw/zinc/05/39/03/206053903.db2.gz LTDZQULSUGVUPO-UHFFFAOYSA-N 1 2 212.297 0.972 20 0 BCADLO CC(C)N1CCC[N@@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000428237199 206056235 /nfs/dbraw/zinc/05/62/35/206056235.db2.gz ALJKQBRMLWQUAS-VXGBXAGGSA-N 1 2 228.336 0.162 20 0 BCADLO CC(C)N1CCC[N@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000428237199 206056238 /nfs/dbraw/zinc/05/62/38/206056238.db2.gz ALJKQBRMLWQUAS-VXGBXAGGSA-N 1 2 228.336 0.162 20 0 BCADLO CCc1nc(C)c(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000428243738 206058157 /nfs/dbraw/zinc/05/81/57/206058157.db2.gz XBNCTAVMKYQSTP-SECBINFHSA-N 1 2 237.303 0.995 20 0 BCADLO CCc1nc(C)c(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000428243738 206058162 /nfs/dbraw/zinc/05/81/62/206058162.db2.gz XBNCTAVMKYQSTP-SECBINFHSA-N 1 2 237.303 0.995 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364932061 182330375 /nfs/dbraw/zinc/33/03/75/182330375.db2.gz HORRMRJBTVIVRG-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccon1 ZINC000330289978 182341708 /nfs/dbraw/zinc/34/17/08/182341708.db2.gz CEYNQTPWTPLFEB-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCO1 ZINC000332775291 182342246 /nfs/dbraw/zinc/34/22/46/182342246.db2.gz MPCVLAMRHXUSGR-JOYOIKCWSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCO1 ZINC000332775291 182342249 /nfs/dbraw/zinc/34/22/49/182342249.db2.gz MPCVLAMRHXUSGR-JOYOIKCWSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cnccn1 ZINC000366456640 182343083 /nfs/dbraw/zinc/34/30/83/182343083.db2.gz NHXUVTJBIDGYTE-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cnccn1 ZINC000366456640 182343084 /nfs/dbraw/zinc/34/30/84/182343084.db2.gz NHXUVTJBIDGYTE-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCOC1 ZINC000332899601 182343237 /nfs/dbraw/zinc/34/32/37/182343237.db2.gz UATIBESLTUJHRP-BDAKNGLRSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCOC1 ZINC000332899601 182343239 /nfs/dbraw/zinc/34/32/39/182343239.db2.gz UATIBESLTUJHRP-BDAKNGLRSA-N 1 2 235.287 0.420 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(OC)C2)cn1C ZINC000459578526 206135926 /nfs/dbraw/zinc/13/59/26/206135926.db2.gz ILXHHRDFYXRRHQ-UHFFFAOYSA-N 1 2 238.287 0.642 20 0 BCADLO O=C(Nc1cccc(F)c1F)[C@@H]1COCC[NH2+]1 ZINC000088371296 182370845 /nfs/dbraw/zinc/37/08/45/182370845.db2.gz MSOVCDULQKCANF-VIFPVBQESA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1cccc2[nH]cnc21)[C@H]1COCC[NH2+]1 ZINC000237907950 182373254 /nfs/dbraw/zinc/37/32/54/182373254.db2.gz URLALODOVBLRJI-SNVBAGLBSA-N 1 2 246.270 0.490 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170017069 182394230 /nfs/dbraw/zinc/39/42/30/182394230.db2.gz VCLHDXDRVICOTI-SECBINFHSA-N 1 2 243.270 0.874 20 0 BCADLO CCOC(=O)CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000337329699 170214450 /nfs/dbraw/zinc/21/44/50/170214450.db2.gz FIOOBJJYUFAQNM-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000300885768 170227211 /nfs/dbraw/zinc/22/72/11/170227211.db2.gz SSRHARKNYQUFSO-IUCAKERBSA-N 1 2 201.266 0.564 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000336604490 182750243 /nfs/dbraw/zinc/75/02/43/182750243.db2.gz YYDJCNQFGFFQEI-SECBINFHSA-N 1 2 237.328 0.950 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000336604490 182750245 /nfs/dbraw/zinc/75/02/45/182750245.db2.gz YYDJCNQFGFFQEI-SECBINFHSA-N 1 2 237.328 0.950 20 0 BCADLO O=S1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000111224027 182917926 /nfs/dbraw/zinc/91/79/26/182917926.db2.gz XGTDZSZOMBSTGX-VIFPVBQESA-N 1 2 203.307 0.230 20 0 BCADLO O=c1nc(C2CC[NH+](Cc3ccon3)CC2)[nH][nH]1 ZINC000280996149 183010032 /nfs/dbraw/zinc/01/00/32/183010032.db2.gz MFKOIQLLQOCSLH-UHFFFAOYSA-N 1 2 249.274 0.466 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329890363 183024126 /nfs/dbraw/zinc/02/41/26/183024126.db2.gz GDLRKCYZCSGOFX-PWSUYJOCSA-N 1 2 240.303 0.597 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329890363 183024127 /nfs/dbraw/zinc/02/41/27/183024127.db2.gz GDLRKCYZCSGOFX-PWSUYJOCSA-N 1 2 240.303 0.597 20 0 BCADLO OCC1CN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000192354804 183041122 /nfs/dbraw/zinc/04/11/22/183041122.db2.gz OJBVIDMXSRNGJK-UHFFFAOYSA-N 1 2 234.303 0.505 20 0 BCADLO OCC1CN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000192354804 183041125 /nfs/dbraw/zinc/04/11/25/183041125.db2.gz OJBVIDMXSRNGJK-UHFFFAOYSA-N 1 2 234.303 0.505 20 0 BCADLO OCC1CC[NH+](Cc2cnns2)CC1 ZINC000306532678 183041531 /nfs/dbraw/zinc/04/15/31/183041531.db2.gz CADFOUNFJAHAJJ-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO OCC(CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270210416 183033557 /nfs/dbraw/zinc/03/35/57/183033557.db2.gz JJWKLWZSQHOCLQ-UHFFFAOYSA-N 1 2 238.291 0.064 20 0 BCADLO OCC(CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270210416 183033559 /nfs/dbraw/zinc/03/35/59/183033559.db2.gz JJWKLWZSQHOCLQ-UHFFFAOYSA-N 1 2 238.291 0.064 20 0 BCADLO OCC[NH+](CCO)Cc1ncc(C2CC2)o1 ZINC000340884753 183066710 /nfs/dbraw/zinc/06/67/10/183066710.db2.gz KWGCSGQNJHREOY-UHFFFAOYSA-N 1 2 226.276 0.339 20 0 BCADLO OCC[N@H+](CC[C@H]1CCOC1)CC(F)F ZINC000355529493 183067301 /nfs/dbraw/zinc/06/73/01/183067301.db2.gz JYAAWEPKBOQPSF-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](CC[C@H]1CCOC1)CC(F)F ZINC000355529493 183067303 /nfs/dbraw/zinc/06/73/03/183067303.db2.gz JYAAWEPKBOQPSF-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000128391023 183085763 /nfs/dbraw/zinc/08/57/63/183085763.db2.gz GXCMJGHAYHEETQ-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000128391023 183085765 /nfs/dbraw/zinc/08/57/65/183085765.db2.gz GXCMJGHAYHEETQ-LLVKDONJSA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000077316301 183085943 /nfs/dbraw/zinc/08/59/43/183085943.db2.gz CTQBCIMXSSTPTM-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000077316301 183085947 /nfs/dbraw/zinc/08/59/47/183085947.db2.gz CTQBCIMXSSTPTM-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO OC[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258648796 183124713 /nfs/dbraw/zinc/12/47/13/183124713.db2.gz GGAKYINMQWIDKM-LLVKDONJSA-N 1 2 248.330 0.895 20 0 BCADLO OC[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258648796 183124714 /nfs/dbraw/zinc/12/47/14/183124714.db2.gz GGAKYINMQWIDKM-LLVKDONJSA-N 1 2 248.330 0.895 20 0 BCADLO OC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000271731666 183128118 /nfs/dbraw/zinc/12/81/18/183128118.db2.gz NGPVRDKWDKGNBY-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000291505394 183129336 /nfs/dbraw/zinc/12/93/36/183129336.db2.gz WFJIKILKHZXIAW-IUCAKERBSA-N 1 2 244.241 0.287 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000291505394 183129338 /nfs/dbraw/zinc/12/93/38/183129338.db2.gz WFJIKILKHZXIAW-IUCAKERBSA-N 1 2 244.241 0.287 20 0 BCADLO OC[C@@H]1C[C@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000363732867 183130812 /nfs/dbraw/zinc/13/08/12/183130812.db2.gz DHCTUSXSGMYSBV-UWVGGRQHSA-N 1 2 245.282 0.562 20 0 BCADLO OC[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000331293503 183151115 /nfs/dbraw/zinc/15/11/15/183151115.db2.gz LSADLFMJPSIVHI-JTQLQIEISA-N 1 2 242.298 0.452 20 0 BCADLO OC[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000331293503 183151117 /nfs/dbraw/zinc/15/11/17/183151117.db2.gz LSADLFMJPSIVHI-JTQLQIEISA-N 1 2 242.298 0.452 20 0 BCADLO O[C@H](CN1CCC=C(F)C1)C[NH+]1CCOCC1 ZINC000352769310 183178179 /nfs/dbraw/zinc/17/81/79/183178179.db2.gz KCSHRZFJCNOVBE-LBPRGKRZSA-N 1 2 244.310 0.239 20 0 BCADLO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC=C(F)C1 ZINC000352769310 183178180 /nfs/dbraw/zinc/17/81/80/183178180.db2.gz KCSHRZFJCNOVBE-LBPRGKRZSA-N 1 2 244.310 0.239 20 0 BCADLO O[C@@H](CN1CCOCC1)C[N@H+]1CCC=C(F)C1 ZINC000352769310 183178182 /nfs/dbraw/zinc/17/81/82/183178182.db2.gz KCSHRZFJCNOVBE-LBPRGKRZSA-N 1 2 244.310 0.239 20 0 BCADLO CCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339706879 169058125 /nfs/dbraw/zinc/05/81/25/169058125.db2.gz ZZBLEHADSPFWCS-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077715 183198316 /nfs/dbraw/zinc/19/83/16/183198316.db2.gz HLFVZFGVLVMNGE-MRVPVSSYSA-N 1 2 213.668 0.697 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077715 183198317 /nfs/dbraw/zinc/19/83/17/183198317.db2.gz HLFVZFGVLVMNGE-MRVPVSSYSA-N 1 2 213.668 0.697 20 0 BCADLO O[C@@H]1CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000364444400 183201039 /nfs/dbraw/zinc/20/10/39/183201039.db2.gz LVKPAOWMDZYQBF-SNVBAGLBSA-N 1 2 230.271 0.838 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000061708263 183201194 /nfs/dbraw/zinc/20/11/94/183201194.db2.gz HORXQQZWEJWVSF-MRVPVSSYSA-N 1 2 209.249 0.514 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000061708263 183201195 /nfs/dbraw/zinc/20/11/95/183201195.db2.gz HORXQQZWEJWVSF-MRVPVSSYSA-N 1 2 209.249 0.514 20 0 BCADLO O[C@@H]1C[NH+](Cc2cc(F)c(F)cc2F)C[C@H]1O ZINC000278418067 183206915 /nfs/dbraw/zinc/20/69/15/183206915.db2.gz RDEDNNSGKHRXMN-GHMZBOCLSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3csnn3)C[C@@H]12 ZINC000308807802 183207211 /nfs/dbraw/zinc/20/72/11/183207211.db2.gz MVABAXXZMJLFNK-FXBDTBDDSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3csnn3)C[C@@H]12 ZINC000308807802 183207213 /nfs/dbraw/zinc/20/72/13/183207213.db2.gz MVABAXXZMJLFNK-FXBDTBDDSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@H](C[NH+]1CCOCC1)CC(F)(F)F ZINC000082719716 183221558 /nfs/dbraw/zinc/22/15/58/183221558.db2.gz QXXAMMPFFHABSD-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO O[C@H](COc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327916 183226172 /nfs/dbraw/zinc/22/61/72/183226172.db2.gz HIVBVVLVQLSARY-FPMFFAJLSA-N 1 2 249.310 0.899 20 0 BCADLO O[C@H](COc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327916 183226173 /nfs/dbraw/zinc/22/61/73/183226173.db2.gz HIVBVVLVQLSARY-FPMFFAJLSA-N 1 2 249.310 0.899 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000340290371 183209879 /nfs/dbraw/zinc/20/98/79/183209879.db2.gz SNVDQKHNDORCPO-BFHYXJOUSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000340290371 183209881 /nfs/dbraw/zinc/20/98/81/183209881.db2.gz SNVDQKHNDORCPO-BFHYXJOUSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@H]1[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000340290372 183210049 /nfs/dbraw/zinc/21/00/49/183210049.db2.gz SNVDQKHNDORCPO-MCIONIFRSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@H]1[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000340290372 183210053 /nfs/dbraw/zinc/21/00/53/183210053.db2.gz SNVDQKHNDORCPO-MCIONIFRSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@H]1[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000340290373 183210760 /nfs/dbraw/zinc/21/07/60/183210760.db2.gz SNVDQKHNDORCPO-MGPQQGTHSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@H]1[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000340290373 183210762 /nfs/dbraw/zinc/21/07/62/183210762.db2.gz SNVDQKHNDORCPO-MGPQQGTHSA-N 1 2 249.310 0.820 20 0 BCADLO CCCN(CC(=O)NC)c1cc(C)[nH+]cn1 ZINC000301478599 169096899 /nfs/dbraw/zinc/09/68/99/169096899.db2.gz QIRGSIQRVOOVDH-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO CCCN(CC(=O)NC)Cc1[nH+]ccn1CC ZINC000106383559 169096981 /nfs/dbraw/zinc/09/69/81/169096981.db2.gz INSVAEUTYPBBPM-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338031150 169114840 /nfs/dbraw/zinc/11/48/40/169114840.db2.gz SBKINLIHMOZSID-GFCCVEGCSA-N 1 2 241.379 0.881 20 0 BCADLO Oc1ccc(F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1F ZINC000294713367 183273594 /nfs/dbraw/zinc/27/35/94/183273594.db2.gz OVRLKLZNXNQAQE-AOOOYVTPSA-N 1 2 245.225 0.208 20 0 BCADLO Oc1ccc(F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1F ZINC000294713367 183273596 /nfs/dbraw/zinc/27/35/96/183273596.db2.gz OVRLKLZNXNQAQE-AOOOYVTPSA-N 1 2 245.225 0.208 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC000328616732 183306461 /nfs/dbraw/zinc/30/64/61/183306461.db2.gz SUEJHTFNLWTVLV-APPZFPTMSA-N 1 2 224.264 0.167 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)[nH]1 ZINC000328616734 183307311 /nfs/dbraw/zinc/30/73/11/183307311.db2.gz SUEJHTFNLWTVLV-IONNQARKSA-N 1 2 224.264 0.167 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC3(C2)CCOCC3)[nH]1 ZINC000329322841 183305185 /nfs/dbraw/zinc/30/51/85/183305185.db2.gz RWMUNQDHMJQUMQ-UHFFFAOYSA-N 1 2 238.291 0.513 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC3(C2)CCOCC3)[nH]1 ZINC000329322841 183305188 /nfs/dbraw/zinc/30/51/88/183305188.db2.gz RWMUNQDHMJQUMQ-UHFFFAOYSA-N 1 2 238.291 0.513 20 0 BCADLO CCCN1CC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000331169517 169185793 /nfs/dbraw/zinc/18/57/93/169185793.db2.gz IXIQUZRLTOMKAW-UHFFFAOYSA-N 1 2 236.275 0.557 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](C3CC3)C2)[nH]1 ZINC000329289663 183307571 /nfs/dbraw/zinc/30/75/71/183307571.db2.gz MZFZXECLLSDESX-MRVPVSSYSA-N 1 2 208.265 0.742 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](C3CC3)C2)[nH]1 ZINC000329289663 183307573 /nfs/dbraw/zinc/30/75/73/183307573.db2.gz MZFZXECLLSDESX-MRVPVSSYSA-N 1 2 208.265 0.742 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)[nH]1 ZINC000331403931 183307698 /nfs/dbraw/zinc/30/76/98/183307698.db2.gz BFHOPARPCKEUNB-XHNCKOQMSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)[nH]1 ZINC000331403931 183307701 /nfs/dbraw/zinc/30/77/01/183307701.db2.gz BFHOPARPCKEUNB-XHNCKOQMSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](COC(F)F)C2)[nH]1 ZINC000353018493 183307960 /nfs/dbraw/zinc/30/79/60/183307960.db2.gz DZYJVQLEPYVEGE-LURJTMIESA-N 1 2 248.233 0.571 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](COC(F)F)C2)[nH]1 ZINC000353018493 183307963 /nfs/dbraw/zinc/30/79/63/183307963.db2.gz DZYJVQLEPYVEGE-LURJTMIESA-N 1 2 248.233 0.571 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CCC1CC1)C2 ZINC000336606376 183310515 /nfs/dbraw/zinc/31/05/15/183310515.db2.gz AAIJVJHQZZRWPQ-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CCC1CC1)C2 ZINC000336606376 183310518 /nfs/dbraw/zinc/31/05/18/183310518.db2.gz AAIJVJHQZZRWPQ-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=C1N=NC2C[N@H+](CCC3CC3)CCN12 ZINC000336606376 183310521 /nfs/dbraw/zinc/31/05/21/183310521.db2.gz AAIJVJHQZZRWPQ-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=C1N=NC2C[N@@H+](CCC3CC3)CCN12 ZINC000336606376 183310524 /nfs/dbraw/zinc/31/05/24/183310524.db2.gz AAIJVJHQZZRWPQ-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO CCCNC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283468082 169224012 /nfs/dbraw/zinc/22/40/12/169224012.db2.gz MCXHSDPTDRIBMN-ONEGZZNKSA-N 1 2 236.275 0.065 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000130284802 169226104 /nfs/dbraw/zinc/22/61/04/169226104.db2.gz VBPOMQDJBGDEKM-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)on1 ZINC000371836085 183343912 /nfs/dbraw/zinc/34/39/12/183343912.db2.gz WWPGDCNLYAXLEM-SNVBAGLBSA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)on1 ZINC000371836085 183343913 /nfs/dbraw/zinc/34/39/13/183343913.db2.gz WWPGDCNLYAXLEM-SNVBAGLBSA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)n[nH]1 ZINC000289341758 183346269 /nfs/dbraw/zinc/34/62/69/183346269.db2.gz HXPGBILSZKNACJ-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO c1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)n[nH]1 ZINC000289341758 183346270 /nfs/dbraw/zinc/34/62/70/183346270.db2.gz HXPGBILSZKNACJ-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180416793 169219838 /nfs/dbraw/zinc/21/98/38/169219838.db2.gz FCYGZAXGXYUHJK-SNVBAGLBSA-N 1 2 238.335 0.939 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180416793 169219840 /nfs/dbraw/zinc/21/98/40/169219840.db2.gz FCYGZAXGXYUHJK-SNVBAGLBSA-N 1 2 238.335 0.939 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000368583402 169222487 /nfs/dbraw/zinc/22/24/87/169222487.db2.gz OAGLIWBPKVIOES-MWLCHTKSSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000368583402 169222489 /nfs/dbraw/zinc/22/24/89/169222489.db2.gz OAGLIWBPKVIOES-MWLCHTKSSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000368583401 169222789 /nfs/dbraw/zinc/22/27/89/169222789.db2.gz OAGLIWBPKVIOES-KOLCDFICSA-N 1 2 240.303 0.150 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000368583401 169222791 /nfs/dbraw/zinc/22/27/91/169222791.db2.gz OAGLIWBPKVIOES-KOLCDFICSA-N 1 2 240.303 0.150 20 0 BCADLO c1cc([C@H]2CCC[N@H+]2CC2OCCO2)n[nH]1 ZINC000286303553 183363546 /nfs/dbraw/zinc/36/35/46/183363546.db2.gz VTLKOOOQVLMBRC-SNVBAGLBSA-N 1 2 223.276 0.920 20 0 BCADLO c1cc([C@H]2CCC[N@@H+]2CC2OCCO2)n[nH]1 ZINC000286303553 183363547 /nfs/dbraw/zinc/36/35/47/183363547.db2.gz VTLKOOOQVLMBRC-SNVBAGLBSA-N 1 2 223.276 0.920 20 0 BCADLO CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043466842 169236160 /nfs/dbraw/zinc/23/61/60/169236160.db2.gz VDXCHKNYRBAUJD-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627001 169241352 /nfs/dbraw/zinc/24/13/52/169241352.db2.gz PQKMJHSLXUVKCX-KOLCDFICSA-N 1 2 232.299 0.307 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627001 169241353 /nfs/dbraw/zinc/24/13/53/169241353.db2.gz PQKMJHSLXUVKCX-KOLCDFICSA-N 1 2 232.299 0.307 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000336614679 169331480 /nfs/dbraw/zinc/33/14/80/169331480.db2.gz XHGAQUSWXAFVFD-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000336614679 169331482 /nfs/dbraw/zinc/33/14/82/169331482.db2.gz XHGAQUSWXAFVFD-SNVBAGLBSA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000048955641 169332813 /nfs/dbraw/zinc/33/28/13/169332813.db2.gz BMGBBIWWECEUML-UHFFFAOYSA-N 1 2 217.294 0.213 20 0 BCADLO CCCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000070265541 169333094 /nfs/dbraw/zinc/33/30/94/169333094.db2.gz ODLNJBHJHRZWBV-VIFPVBQESA-N 1 2 231.321 0.601 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303242695 535453999 /nfs/dbraw/zinc/45/39/99/535453999.db2.gz NOSVMSYMSLEMLY-XPUUQOCRSA-N 1 2 240.225 0.249 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303242695 535454008 /nfs/dbraw/zinc/45/40/08/535454008.db2.gz NOSVMSYMSLEMLY-XPUUQOCRSA-N 1 2 240.225 0.249 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000227397297 134379018 /nfs/dbraw/zinc/37/90/18/134379018.db2.gz CYVXYHOYSOJNCP-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000227397297 134379019 /nfs/dbraw/zinc/37/90/19/134379019.db2.gz CYVXYHOYSOJNCP-LDYMZIIASA-N 1 2 240.303 0.873 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1noc(C)n1 ZINC000048336123 383847440 /nfs/dbraw/zinc/84/74/40/383847440.db2.gz CCQIOWPJNZQQLH-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1noc(C)n1 ZINC000048336123 383847450 /nfs/dbraw/zinc/84/74/50/383847450.db2.gz CCQIOWPJNZQQLH-SSDOTTSWSA-N 1 2 227.264 0.619 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000235231053 383864279 /nfs/dbraw/zinc/86/42/79/383864279.db2.gz SKCOAJJEARTTHW-ZJUUUORDSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000235231053 383864282 /nfs/dbraw/zinc/86/42/82/383864282.db2.gz SKCOAJJEARTTHW-ZJUUUORDSA-N 1 2 239.323 0.336 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000066498555 383866910 /nfs/dbraw/zinc/86/69/10/383866910.db2.gz IDEGSFSONJXXMH-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000066498555 383866914 /nfs/dbraw/zinc/86/69/14/383866914.db2.gz IDEGSFSONJXXMH-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO C[N@H+](CC(=O)Nc1nncs1)[C@@H]1CCOC1 ZINC000112347629 383920816 /nfs/dbraw/zinc/92/08/16/383920816.db2.gz PIMVQUIROACCPX-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO C[N@@H+](CC(=O)Nc1nncs1)[C@@H]1CCOC1 ZINC000112347629 383920820 /nfs/dbraw/zinc/92/08/20/383920820.db2.gz PIMVQUIROACCPX-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO Cc1csc(NCCNc2cc[nH+]c(C)n2)n1 ZINC000643611566 383927628 /nfs/dbraw/zinc/92/76/28/383927628.db2.gz XHDSVQYHECPVFP-UHFFFAOYSA-N 1 2 249.343 0.918 20 0 BCADLO O[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000112555829 383930067 /nfs/dbraw/zinc/93/00/67/383930067.db2.gz MODIDSBARHLWFP-VIFPVBQESA-N 1 2 205.261 0.925 20 0 BCADLO CCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000070227989 383893199 /nfs/dbraw/zinc/89/31/99/383893199.db2.gz BIWRJLOAXSSZSC-QMMMGPOBSA-N 1 2 217.294 0.211 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@]1(C)CCOC1 ZINC000292423998 383980480 /nfs/dbraw/zinc/98/04/80/383980480.db2.gz UGMPKAFYRWTIHM-NSHDSACASA-N 1 2 238.291 0.398 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC1(CO)CC1 ZINC000186764836 383996943 /nfs/dbraw/zinc/99/69/43/383996943.db2.gz YNVZIVVYHVGYFX-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186764836 383996946 /nfs/dbraw/zinc/99/69/46/383996946.db2.gz YNVZIVVYHVGYFX-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCO1 ZINC000070650730 383952404 /nfs/dbraw/zinc/95/24/04/383952404.db2.gz QUWXUAIDNRCSHQ-QMMMGPOBSA-N 1 2 209.249 0.547 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC[C@H](C)O ZINC000560186408 383957878 /nfs/dbraw/zinc/95/78/78/383957878.db2.gz NZBCIEZLFMQRNO-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC[C@H](C)O ZINC000560186408 383957883 /nfs/dbraw/zinc/95/78/83/383957883.db2.gz NZBCIEZLFMQRNO-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278518629 384012455 /nfs/dbraw/zinc/01/24/55/384012455.db2.gz RKXCQBFYQYUPGH-NSHDSACASA-N 1 2 225.292 0.349 20 0 BCADLO CC[N@H+](CCO)Cc1ncc(Cl)n1C ZINC000049754717 384041411 /nfs/dbraw/zinc/04/14/11/384041411.db2.gz IIJQIGLDTFXCCW-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1ncc(Cl)n1C ZINC000049754717 384041422 /nfs/dbraw/zinc/04/14/22/384041422.db2.gz IIJQIGLDTFXCCW-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000114898241 384058943 /nfs/dbraw/zinc/05/89/43/384058943.db2.gz REMJRKOCBFQMND-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000114898241 384058946 /nfs/dbraw/zinc/05/89/46/384058946.db2.gz REMJRKOCBFQMND-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO NS(=O)(=O)NCCCCNc1cccc[nH+]1 ZINC000076106195 384059422 /nfs/dbraw/zinc/05/94/22/384059422.db2.gz DWAZIKIKSXSBPC-UHFFFAOYSA-N 1 2 244.320 0.067 20 0 BCADLO O=C(COCc1cccnc1)NCc1[nH]cc[nH+]1 ZINC000558529448 384073736 /nfs/dbraw/zinc/07/37/36/384073736.db2.gz OYSCDNTZKXOENP-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO Cc1nc(C[NH2+][C@H](C)CS(C)(=O)=O)cs1 ZINC000078639707 384075545 /nfs/dbraw/zinc/07/55/45/384075545.db2.gz AURGOCOLIMXCET-SSDOTTSWSA-N 1 2 248.373 0.974 20 0 BCADLO COC[C@@H]([NH2+]Cc1ncn(C)n1)C1CC1 ZINC000090969287 384077982 /nfs/dbraw/zinc/07/79/82/384077982.db2.gz UUPRTWUREQCESC-SECBINFHSA-N 1 2 210.281 0.330 20 0 BCADLO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)OC ZINC000050047759 384102031 /nfs/dbraw/zinc/10/20/31/384102031.db2.gz IXRSCLIFXVMTCQ-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)OC ZINC000050047759 384102037 /nfs/dbraw/zinc/10/20/37/384102037.db2.gz IXRSCLIFXVMTCQ-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1nccn1C ZINC000050065224 384104255 /nfs/dbraw/zinc/10/42/55/384104255.db2.gz JIYQDBAMZBRWEU-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1nccn1C ZINC000050065224 384104261 /nfs/dbraw/zinc/10/42/61/384104261.db2.gz JIYQDBAMZBRWEU-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000569481570 384106782 /nfs/dbraw/zinc/10/67/82/384106782.db2.gz MBSXNUHZGDOSJZ-SSDOTTSWSA-N 1 2 225.296 0.242 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000569481570 384106787 /nfs/dbraw/zinc/10/67/87/384106787.db2.gz MBSXNUHZGDOSJZ-SSDOTTSWSA-N 1 2 225.296 0.242 20 0 BCADLO CCN(CCOCCO)c1cc(CO)cc[nH+]1 ZINC000302309472 384134357 /nfs/dbraw/zinc/13/43/57/384134357.db2.gz COEWMUIQSIIDCK-UHFFFAOYSA-N 1 2 240.303 0.409 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000564469657 384126391 /nfs/dbraw/zinc/12/63/91/384126391.db2.gz FZVGKQUCEHEFBC-ZWNOBZJWSA-N 1 2 249.314 0.946 20 0 BCADLO COC(=O)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260048 384127945 /nfs/dbraw/zinc/12/79/45/384127945.db2.gz FKIYJDVLQQXMLC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cc1n[nH]cc1C(=O)NCCCn1cc[nH+]c1 ZINC000070983853 384146291 /nfs/dbraw/zinc/14/62/91/384146291.db2.gz XCSSCTLIFACVQA-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N(CCO)C1CC1 ZINC000040452694 384153005 /nfs/dbraw/zinc/15/30/05/384153005.db2.gz WLSUENJRVPKDEE-UHFFFAOYSA-N 1 2 233.275 0.324 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000074773147 384143265 /nfs/dbraw/zinc/14/32/65/384143265.db2.gz ROWHSSMXDGRYDV-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000074773147 384143274 /nfs/dbraw/zinc/14/32/74/384143274.db2.gz ROWHSSMXDGRYDV-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CN(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000070991003 384144789 /nfs/dbraw/zinc/14/47/89/384144789.db2.gz GICJNKIGJIJJDP-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO C[C@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000080115993 384160097 /nfs/dbraw/zinc/16/00/97/384160097.db2.gz LUHRFQFJZJBUAC-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1ccnn1C ZINC000092104266 384163083 /nfs/dbraw/zinc/16/30/83/384163083.db2.gz AHYLSHFKZYOCML-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC000092104266 384163086 /nfs/dbraw/zinc/16/30/86/384163086.db2.gz AHYLSHFKZYOCML-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000558558440 384182517 /nfs/dbraw/zinc/18/25/17/384182517.db2.gz SDWXTGYQHUDUDN-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000075023914 384183028 /nfs/dbraw/zinc/18/30/28/384183028.db2.gz UKFSZJGUBGXLLW-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000075023914 384183031 /nfs/dbraw/zinc/18/30/31/384183031.db2.gz UKFSZJGUBGXLLW-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCn2cnnc2C1 ZINC000081538799 384183246 /nfs/dbraw/zinc/18/32/46/384183246.db2.gz JMONZONDQRMKFE-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@H+]1CCn2cnnc2C1 ZINC000081538799 384183248 /nfs/dbraw/zinc/18/32/48/384183248.db2.gz JMONZONDQRMKFE-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]nc1C ZINC000093050829 384206326 /nfs/dbraw/zinc/20/63/26/384206326.db2.gz NRXVHTRTHYAEGK-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]nc1C ZINC000093050829 384206330 /nfs/dbraw/zinc/20/63/30/384206330.db2.gz NRXVHTRTHYAEGK-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO Cc1noc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1 ZINC000081606473 384191475 /nfs/dbraw/zinc/19/14/75/384191475.db2.gz FHORCKCZHZUNCC-MRVPVSSYSA-N 1 2 226.280 0.368 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1nc(C)ccc1O ZINC000093049800 384207721 /nfs/dbraw/zinc/20/77/21/384207721.db2.gz QOEUTNVHPQYOJT-NSHDSACASA-N 1 2 249.314 0.806 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1nc(C)ccc1O ZINC000093049800 384207727 /nfs/dbraw/zinc/20/77/27/384207727.db2.gz QOEUTNVHPQYOJT-NSHDSACASA-N 1 2 249.314 0.806 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647160413 384195893 /nfs/dbraw/zinc/19/58/93/384195893.db2.gz QAIMATYBYLXHGD-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000292643490 384233659 /nfs/dbraw/zinc/23/36/59/384233659.db2.gz KLWSVQVPDLVGIT-LLVKDONJSA-N 1 2 225.292 0.587 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCc2n[nH]c(=O)[nH]2)C1 ZINC000566214536 384234247 /nfs/dbraw/zinc/23/42/47/384234247.db2.gz QKEWRXHEIHWIDP-ZETCQYMHSA-N 1 2 244.320 0.074 20 0 BCADLO C[N@H+]1CCO[C@H](CSCc2n[nH]c(=O)[nH]2)C1 ZINC000566214536 384234253 /nfs/dbraw/zinc/23/42/53/384234253.db2.gz QKEWRXHEIHWIDP-ZETCQYMHSA-N 1 2 244.320 0.074 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000367864148 384235117 /nfs/dbraw/zinc/23/51/17/384235117.db2.gz IYPZQVZCFROBFE-LBPRGKRZSA-N 1 2 246.326 0.651 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000367864148 384235123 /nfs/dbraw/zinc/23/51/23/384235123.db2.gz IYPZQVZCFROBFE-LBPRGKRZSA-N 1 2 246.326 0.651 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084989 384210169 /nfs/dbraw/zinc/21/01/69/384210169.db2.gz AFWFMJLIGXNFPN-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084989 384210171 /nfs/dbraw/zinc/21/01/71/384210171.db2.gz AFWFMJLIGXNFPN-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCCCC1 ZINC000118853846 384213614 /nfs/dbraw/zinc/21/36/14/384213614.db2.gz ZKNBSUJGYIGHQS-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCCCC1 ZINC000118853846 384213620 /nfs/dbraw/zinc/21/36/20/384213620.db2.gz ZKNBSUJGYIGHQS-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO COC(=O)c1occc1C[N@H+](C)CCO ZINC000050499342 384218701 /nfs/dbraw/zinc/21/87/01/384218701.db2.gz MTTHZKBBJCXQCO-UHFFFAOYSA-N 1 2 213.233 0.490 20 0 BCADLO COC(=O)c1occc1C[N@@H+](C)CCO ZINC000050499342 384218705 /nfs/dbraw/zinc/21/87/05/384218705.db2.gz MTTHZKBBJCXQCO-UHFFFAOYSA-N 1 2 213.233 0.490 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCn1cccn1 ZINC000173376198 384219401 /nfs/dbraw/zinc/21/94/01/384219401.db2.gz ODMLSCRPTXKYJP-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCn1cccn1 ZINC000173376198 384219407 /nfs/dbraw/zinc/21/94/07/384219407.db2.gz ODMLSCRPTXKYJP-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CC[C@@H](C)O)CCO1 ZINC000228001095 134399864 /nfs/dbraw/zinc/39/98/64/134399864.db2.gz AARMVORBVFPOKW-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CC[C@@H](C)O)CCO1 ZINC000228001095 134399865 /nfs/dbraw/zinc/39/98/65/134399865.db2.gz AARMVORBVFPOKW-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CS[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000132209373 384222060 /nfs/dbraw/zinc/22/20/60/384222060.db2.gz ALQKNIARYAHVIY-SECBINFHSA-N 1 2 242.348 0.934 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000093528363 384247399 /nfs/dbraw/zinc/24/73/99/384247399.db2.gz QHMMSVWCHKEOOK-SECBINFHSA-N 1 2 228.317 0.990 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000093528363 384247405 /nfs/dbraw/zinc/24/74/05/384247405.db2.gz QHMMSVWCHKEOOK-SECBINFHSA-N 1 2 228.317 0.990 20 0 BCADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000093559778 384249897 /nfs/dbraw/zinc/24/98/97/384249897.db2.gz WWIODXITPOWQBH-RKDXNWHRSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000093559778 384249903 /nfs/dbraw/zinc/24/99/03/384249903.db2.gz WWIODXITPOWQBH-RKDXNWHRSA-N 1 2 243.332 0.417 20 0 BCADLO Cc1noc(C)c1C[NH+]1CCN(CCO)CC1 ZINC000042975714 384258818 /nfs/dbraw/zinc/25/88/18/384258818.db2.gz UJXSLVBFZARLQV-UHFFFAOYSA-N 1 2 239.319 0.401 20 0 BCADLO C[C@@H](C(=O)Nc1cn[nH]c1)[NH+]1CCSCC1 ZINC000133047707 384270809 /nfs/dbraw/zinc/27/08/09/384270809.db2.gz XOTUPDFYBGWORK-QMMMGPOBSA-N 1 2 240.332 0.786 20 0 BCADLO Cc1nc(N[C@H]2CCCC[C@@H]2O)nc(N)[nH+]1 ZINC000304402130 384275501 /nfs/dbraw/zinc/27/55/01/384275501.db2.gz AZAYAYZKJLODHD-YUMQZZPRSA-N 1 2 223.280 0.478 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCCC[C@@H]2O)[nH+]1 ZINC000304402130 384275506 /nfs/dbraw/zinc/27/55/06/384275506.db2.gz AZAYAYZKJLODHD-YUMQZZPRSA-N 1 2 223.280 0.478 20 0 BCADLO C[C@H](CO)N(C)c1[nH+]cnc2c1cnn2C ZINC000158830766 384276056 /nfs/dbraw/zinc/27/60/56/384276056.db2.gz XUBDATPBEJRZQN-SSDOTTSWSA-N 1 2 221.264 0.180 20 0 BCADLO Cc1ccc(O)c(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000094574210 384306981 /nfs/dbraw/zinc/30/69/81/384306981.db2.gz CWRCEXAKIYGOKG-SNVBAGLBSA-N 1 2 236.271 0.628 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1C[C@@H]1C(F)F ZINC000358017394 384308746 /nfs/dbraw/zinc/30/87/46/384308746.db2.gz JFICAPRCNWFERD-YUMQZZPRSA-N 1 2 244.245 0.873 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1CCC1 ZINC000074917116 384311619 /nfs/dbraw/zinc/31/16/19/384311619.db2.gz VMHLLDGBOHHMNR-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccccn1 ZINC000119876220 384312420 /nfs/dbraw/zinc/31/24/20/384312420.db2.gz XMMNFVDQSKDHKR-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccccn1 ZINC000119876220 384312424 /nfs/dbraw/zinc/31/24/24/384312424.db2.gz XMMNFVDQSKDHKR-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO CC[N@H+](Cc1ccnc(N(C)C)n1)C1COC1 ZINC000449423173 384317041 /nfs/dbraw/zinc/31/70/41/384317041.db2.gz GTXNCNGAWHDHED-UHFFFAOYSA-N 1 2 236.319 0.763 20 0 BCADLO CC[N@@H+](Cc1ccnc(N(C)C)n1)C1COC1 ZINC000449423173 384317049 /nfs/dbraw/zinc/31/70/49/384317049.db2.gz GTXNCNGAWHDHED-UHFFFAOYSA-N 1 2 236.319 0.763 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000323164104 384284974 /nfs/dbraw/zinc/28/49/74/384284974.db2.gz TUDLZGJQVFYSNY-SSDOTTSWSA-N 1 2 208.265 0.722 20 0 BCADLO COC1(CNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000304416165 384285197 /nfs/dbraw/zinc/28/51/97/384285197.db2.gz CXPXDWXXCQBWOP-UHFFFAOYSA-N 1 2 223.280 0.743 20 0 BCADLO COC1(CNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000304416165 384285201 /nfs/dbraw/zinc/28/52/01/384285201.db2.gz CXPXDWXXCQBWOP-UHFFFAOYSA-N 1 2 223.280 0.743 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000624971508 384286429 /nfs/dbraw/zinc/28/64/29/384286429.db2.gz MXECFISYPZIQPJ-CZMCAQCFSA-N 1 2 238.291 0.729 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000624971508 384286434 /nfs/dbraw/zinc/28/64/34/384286434.db2.gz MXECFISYPZIQPJ-CZMCAQCFSA-N 1 2 238.291 0.729 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332714615 384337812 /nfs/dbraw/zinc/33/78/12/384337812.db2.gz PQFQSBFXRGSQID-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332714615 384337818 /nfs/dbraw/zinc/33/78/18/384337818.db2.gz PQFQSBFXRGSQID-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332714617 384338489 /nfs/dbraw/zinc/33/84/89/384338489.db2.gz PQFQSBFXRGSQID-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332714617 384338495 /nfs/dbraw/zinc/33/84/95/384338495.db2.gz PQFQSBFXRGSQID-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO Cc1nc(NCC[C@H]2CCOC2)nc(N)[nH+]1 ZINC000304518202 384343103 /nfs/dbraw/zinc/34/31/03/384343103.db2.gz RVNKOFKXLDWMMF-QMMMGPOBSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NCC[C@H]2CCOC2)[nH+]1 ZINC000304518202 384343107 /nfs/dbraw/zinc/34/31/07/384343107.db2.gz RVNKOFKXLDWMMF-QMMMGPOBSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(NC[C@]2(C)CCCO2)nc(N)[nH+]1 ZINC000304517124 384343537 /nfs/dbraw/zinc/34/35/37/384343537.db2.gz RSKUYABVEDQYLB-JTQLQIEISA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(NC[C@]2(C)CCCO2)[nH+]1 ZINC000304517124 384343542 /nfs/dbraw/zinc/34/35/42/384343542.db2.gz RSKUYABVEDQYLB-JTQLQIEISA-N 1 2 223.280 0.743 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332735348 384346991 /nfs/dbraw/zinc/34/69/91/384346991.db2.gz VUFBHWJWCBSQJL-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332735348 384346996 /nfs/dbraw/zinc/34/69/96/384346996.db2.gz VUFBHWJWCBSQJL-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332741417 384349399 /nfs/dbraw/zinc/34/93/99/384349399.db2.gz ZMMUAFQVIMOPSM-QMMMGPOBSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332741417 384349410 /nfs/dbraw/zinc/34/94/10/384349410.db2.gz ZMMUAFQVIMOPSM-QMMMGPOBSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nn(C)c(C)c1CNc1nc(C)[nH+]c(N)n1 ZINC000302578184 384351000 /nfs/dbraw/zinc/35/10/00/384351000.db2.gz BWLPSNSSEJHUII-UHFFFAOYSA-N 1 2 247.306 0.725 20 0 BCADLO Cc1nn(C)c(C)c1CNc1nc(N)nc(C)[nH+]1 ZINC000302578184 384351008 /nfs/dbraw/zinc/35/10/08/384351008.db2.gz BWLPSNSSEJHUII-UHFFFAOYSA-N 1 2 247.306 0.725 20 0 BCADLO Cc1nc(CC[N@@H+]2CCNC(=O)[C@H]2C)cs1 ZINC000120517420 384357722 /nfs/dbraw/zinc/35/77/22/384357722.db2.gz AGKNZKXEHJTUOD-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1nc(CC[N@H+]2CCNC(=O)[C@H]2C)cs1 ZINC000120517420 384357725 /nfs/dbraw/zinc/35/77/25/384357725.db2.gz AGKNZKXEHJTUOD-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO Cn1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000084081725 384361463 /nfs/dbraw/zinc/36/14/63/384361463.db2.gz KGAFFPRPZSYQOA-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000084081725 384361470 /nfs/dbraw/zinc/36/14/70/384361470.db2.gz KGAFFPRPZSYQOA-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CC[C@@H](CCO)CNC(=O)CCn1cc[nH+]c1 ZINC000094958847 384323784 /nfs/dbraw/zinc/32/37/84/384323784.db2.gz YTMZGJPMIABNIP-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO Cc1nc(N[C@@H](C)[C@H]2CCOC2)nc(N)[nH+]1 ZINC000304503445 384333571 /nfs/dbraw/zinc/33/35/71/384333571.db2.gz QNIUQQYNOLFTKN-XPUUQOCRSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@H]2CCOC2)[nH+]1 ZINC000304503445 384333580 /nfs/dbraw/zinc/33/35/80/384333580.db2.gz QNIUQQYNOLFTKN-XPUUQOCRSA-N 1 2 223.280 0.599 20 0 BCADLO CCC[N@H+](CCO)Cc1nc([C@H](C)OC)no1 ZINC000175093134 384396488 /nfs/dbraw/zinc/39/64/88/384396488.db2.gz LBAHMDOJBGVYBN-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc([C@H](C)OC)no1 ZINC000175093134 384396492 /nfs/dbraw/zinc/39/64/92/384396492.db2.gz LBAHMDOJBGVYBN-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000095829619 384400498 /nfs/dbraw/zinc/40/04/98/384400498.db2.gz LKZVFJZNBAEKRC-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000095829619 384400502 /nfs/dbraw/zinc/40/05/02/384400502.db2.gz LKZVFJZNBAEKRC-JTQLQIEISA-N 1 2 213.277 0.660 20 0 BCADLO O=C1CC[N@H+](Cc2nccs2)CCN1 ZINC000135040091 384409369 /nfs/dbraw/zinc/40/93/69/384409369.db2.gz CWMDUJQQNNWICM-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO O=C1CC[N@@H+](Cc2nccs2)CCN1 ZINC000135040091 384409373 /nfs/dbraw/zinc/40/93/73/384409373.db2.gz CWMDUJQQNNWICM-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)Cc1c[nH+]cn1C ZINC000568125665 384415084 /nfs/dbraw/zinc/41/50/84/384415084.db2.gz ADVGUSMKVCOHDT-JOYOIKCWSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@H]1OCC[C@]1(C)NC(=O)Cc1c[nH+]cn1C ZINC000568125666 384416095 /nfs/dbraw/zinc/41/60/95/384416095.db2.gz ADVGUSMKVCOHDT-SKDRFNHKSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(c2cccs2)CC1 ZINC000121434229 384416774 /nfs/dbraw/zinc/41/67/74/384416774.db2.gz NNZPVWKHIWYVIV-SECBINFHSA-N 1 2 239.344 0.744 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000121493510 384420747 /nfs/dbraw/zinc/42/07/47/384420747.db2.gz PIIDOFOOLROBFN-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000121493510 384420752 /nfs/dbraw/zinc/42/07/52/384420752.db2.gz PIIDOFOOLROBFN-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO C[N@H+](CCc1ccncc1)[C@H]1CCOC1=O ZINC000121510236 384424366 /nfs/dbraw/zinc/42/43/66/384424366.db2.gz AETPLUPTGWOPCJ-NSHDSACASA-N 1 2 220.272 0.871 20 0 BCADLO C[N@@H+](CCc1ccncc1)[C@H]1CCOC1=O ZINC000121510236 384424375 /nfs/dbraw/zinc/42/43/75/384424375.db2.gz AETPLUPTGWOPCJ-NSHDSACASA-N 1 2 220.272 0.871 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000443481938 384425386 /nfs/dbraw/zinc/42/53/86/384425386.db2.gz GSCMDONWYSVZLE-ZJUUUORDSA-N 1 2 240.307 0.606 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(F)cn1 ZINC000135391007 384439224 /nfs/dbraw/zinc/43/92/24/384439224.db2.gz GUGHNSXPKLLRQB-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000096810399 384480931 /nfs/dbraw/zinc/48/09/31/384480931.db2.gz UEMDQFAYWHUBHS-SSDOTTSWSA-N 1 2 221.264 0.546 20 0 BCADLO C[C@H]1CCC[N@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000556810666 384498558 /nfs/dbraw/zinc/49/85/58/384498558.db2.gz NVYPHLCGVPKXEJ-YUMQZZPRSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000556810666 384498560 /nfs/dbraw/zinc/49/85/60/384498560.db2.gz NVYPHLCGVPKXEJ-YUMQZZPRSA-N 1 2 238.295 0.259 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309059338 384493606 /nfs/dbraw/zinc/49/36/06/384493606.db2.gz NYYZYNIHFGQQQS-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309059338 384493608 /nfs/dbraw/zinc/49/36/08/384493608.db2.gz NYYZYNIHFGQQQS-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@H]([NH2+]CC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000150851276 384514942 /nfs/dbraw/zinc/51/49/42/384514942.db2.gz WGTRDJMVMJNHCW-VIFPVBQESA-N 1 2 245.286 0.403 20 0 BCADLO C[N@H+](CCCO)CC(=O)OC(C)(C)C ZINC000170646050 384515847 /nfs/dbraw/zinc/51/58/47/384515847.db2.gz BBWJHDDINAEDMN-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO C[N@@H+](CCCO)CC(=O)OC(C)(C)C ZINC000170646050 384515855 /nfs/dbraw/zinc/51/58/55/384515855.db2.gz BBWJHDDINAEDMN-UHFFFAOYSA-N 1 2 203.282 0.642 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000175974501 384523002 /nfs/dbraw/zinc/52/30/02/384523002.db2.gz HCBJPMOKHMPGOW-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000175974501 384523007 /nfs/dbraw/zinc/52/30/07/384523007.db2.gz HCBJPMOKHMPGOW-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCOCC1 ZINC000338088338 384527595 /nfs/dbraw/zinc/52/75/95/384527595.db2.gz SFNPWCFXUUFJRW-UHFFFAOYSA-N 1 2 223.276 0.522 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC2(F)F)CCO1 ZINC000517850039 384527713 /nfs/dbraw/zinc/52/77/13/384527713.db2.gz PQVHNDBGDIQXIE-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC2(F)F)CCO1 ZINC000517850039 384527716 /nfs/dbraw/zinc/52/77/16/384527716.db2.gz PQVHNDBGDIQXIE-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000153814491 384528785 /nfs/dbraw/zinc/52/87/85/384528785.db2.gz MOAPAICHAIASAL-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000153814491 384528790 /nfs/dbraw/zinc/52/87/90/384528790.db2.gz MOAPAICHAIASAL-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO CCONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049370012 384532796 /nfs/dbraw/zinc/53/27/96/384532796.db2.gz JUGCUCSNJDLCEU-QMMMGPOBSA-N 1 2 212.253 0.522 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CCCNC2=O)n1C ZINC000309703980 384545937 /nfs/dbraw/zinc/54/59/37/384545937.db2.gz NRHKAIWFXLSPTL-SECBINFHSA-N 1 2 222.292 0.097 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2CCCNC2=O)n1C ZINC000309703980 384545938 /nfs/dbraw/zinc/54/59/38/384545938.db2.gz NRHKAIWFXLSPTL-SECBINFHSA-N 1 2 222.292 0.097 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172293879 384561805 /nfs/dbraw/zinc/56/18/05/384561805.db2.gz OJACSZMTNHNILR-LLVKDONJSA-N 1 2 239.319 0.393 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172293879 384561810 /nfs/dbraw/zinc/56/18/10/384561810.db2.gz OJACSZMTNHNILR-LLVKDONJSA-N 1 2 239.319 0.393 20 0 BCADLO CSC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000309720087 384562019 /nfs/dbraw/zinc/56/20/19/384562019.db2.gz VQVBAZJFOCFXJF-QMMMGPOBSA-N 1 2 245.348 0.927 20 0 BCADLO Cc1nc(NCCCOCC2CC2)nc(N)[nH+]1 ZINC000306078338 384569494 /nfs/dbraw/zinc/56/94/94/384569494.db2.gz HEZGMIUXAKPZRE-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO Cc1nc(N)nc(NCCCOCC2CC2)[nH+]1 ZINC000306078338 384569504 /nfs/dbraw/zinc/56/95/04/384569504.db2.gz HEZGMIUXAKPZRE-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408196366 384574624 /nfs/dbraw/zinc/57/46/24/384574624.db2.gz BQQXSERMFUUWGU-LLVKDONJSA-N 1 2 240.307 0.109 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408196366 384574633 /nfs/dbraw/zinc/57/46/33/384574633.db2.gz BQQXSERMFUUWGU-LLVKDONJSA-N 1 2 240.307 0.109 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000517930120 384579269 /nfs/dbraw/zinc/57/92/69/384579269.db2.gz SKAGCJNSUWEURS-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@H](O)C1 ZINC000517930120 384579276 /nfs/dbraw/zinc/57/92/76/384579276.db2.gz SKAGCJNSUWEURS-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111216765 384580239 /nfs/dbraw/zinc/58/02/39/384580239.db2.gz NVRUYHCSVDGUDA-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111216765 384580246 /nfs/dbraw/zinc/58/02/46/384580246.db2.gz NVRUYHCSVDGUDA-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561299692 384632986 /nfs/dbraw/zinc/63/29/86/384632986.db2.gz LOBBJBLNQQTTCK-SNVBAGLBSA-N 1 2 228.336 0.461 20 0 BCADLO CCC[N@H+](CCO)Cc1nc(CCOC)no1 ZINC000171625520 384615117 /nfs/dbraw/zinc/61/51/17/384615117.db2.gz IIOUEYBXJVGDOK-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc(CCOC)no1 ZINC000171625520 384615125 /nfs/dbraw/zinc/61/51/25/384615125.db2.gz IIOUEYBXJVGDOK-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(C)o1 ZINC000184663321 384633534 /nfs/dbraw/zinc/63/35/34/384633534.db2.gz VCSWIFPYHYAPSD-NXEZZACHSA-N 1 2 238.287 0.754 20 0 BCADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC(N)=O)c1 ZINC000047628979 384624836 /nfs/dbraw/zinc/62/48/36/384624836.db2.gz LFGYYFHTDMCNTE-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC(N)=O)c1 ZINC000047628979 384624841 /nfs/dbraw/zinc/62/48/41/384624841.db2.gz LFGYYFHTDMCNTE-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC(C2CC2)C1 ZINC000643676996 384625470 /nfs/dbraw/zinc/62/54/70/384625470.db2.gz GLNXFPAZDCQVIM-UHFFFAOYSA-N 1 2 234.303 0.972 20 0 BCADLO NC(=O)[C@H]1COCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000408198343 384628747 /nfs/dbraw/zinc/62/87/47/384628747.db2.gz MNMNJMYAQVAHPD-GHMZBOCLSA-N 1 2 242.319 0.132 20 0 BCADLO NC(=O)[C@H]1COCC[N@H+]1CC[C@H]1CCCCO1 ZINC000408198343 384628753 /nfs/dbraw/zinc/62/87/53/384628753.db2.gz MNMNJMYAQVAHPD-GHMZBOCLSA-N 1 2 242.319 0.132 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000111264395 384591851 /nfs/dbraw/zinc/59/18/51/384591851.db2.gz MOTIOLFSLZDUHT-SECBINFHSA-N 1 2 238.291 0.336 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000111264395 384591856 /nfs/dbraw/zinc/59/18/56/384591856.db2.gz MOTIOLFSLZDUHT-SECBINFHSA-N 1 2 238.291 0.336 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(C)o1 ZINC000184663341 384632224 /nfs/dbraw/zinc/63/22/24/384632224.db2.gz VCSWIFPYHYAPSD-ZJUUUORDSA-N 1 2 238.287 0.754 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000061707966 384669286 /nfs/dbraw/zinc/66/92/86/384669286.db2.gz QEBOCVPYEHGEMN-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000061707966 384669292 /nfs/dbraw/zinc/66/92/92/384669292.db2.gz QEBOCVPYEHGEMN-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](O)C1 ZINC000561300534 384634294 /nfs/dbraw/zinc/63/42/94/384634294.db2.gz VJEXKDHKUXMISE-KOLCDFICSA-N 1 2 235.287 0.039 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)o1 ZINC000184663381 384634509 /nfs/dbraw/zinc/63/45/09/384634509.db2.gz VCSWIFPYHYAPSD-UWVGGRQHSA-N 1 2 238.287 0.754 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)c1nc[nH]n1)[NH+]1CC(C)C1 ZINC000561309399 384636955 /nfs/dbraw/zinc/63/69/55/384636955.db2.gz HXLLQOIDFZDCEI-DTWKUNHWSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)c1nnc[nH]1)[NH+]1CC(C)C1 ZINC000561309399 384636960 /nfs/dbraw/zinc/63/69/60/384636960.db2.gz HXLLQOIDFZDCEI-DTWKUNHWSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000184698884 384639869 /nfs/dbraw/zinc/63/98/69/384639869.db2.gz DKSAHVRPIHNVPY-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000184698884 384639879 /nfs/dbraw/zinc/63/98/79/384639879.db2.gz DKSAHVRPIHNVPY-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)(O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427487545 384642976 /nfs/dbraw/zinc/64/29/76/384642976.db2.gz PSDDVDXFCGGDJR-MRVPVSSYSA-N 1 2 223.276 0.085 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nnc(C)s2)C1 ZINC000408039323 384650250 /nfs/dbraw/zinc/65/02/50/384650250.db2.gz UXBLJPSHOLCADS-DTWKUNHWSA-N 1 2 243.332 0.428 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nnc(C)s2)C1 ZINC000408039323 384650257 /nfs/dbraw/zinc/65/02/57/384650257.db2.gz UXBLJPSHOLCADS-DTWKUNHWSA-N 1 2 243.332 0.428 20 0 BCADLO Cc1cnc(C)c(NCC[NH+]2CCOCC2)n1 ZINC000082188872 384650843 /nfs/dbraw/zinc/65/08/43/384650843.db2.gz UIKRJQSIBLCMAY-UHFFFAOYSA-N 1 2 236.319 0.838 20 0 BCADLO C[C@H]([NH2+]Cc1cocn1)C(=O)N1CCCC1 ZINC000309835854 384657485 /nfs/dbraw/zinc/65/74/85/384657485.db2.gz BBUYLULCWGXXAF-VIFPVBQESA-N 1 2 223.276 0.775 20 0 BCADLO Cn1c2cc(C[N@H+](C)CC(N)=O)ccc2oc1=O ZINC000258972135 384724554 /nfs/dbraw/zinc/72/45/54/384724554.db2.gz BQGTUPHLMWZPSI-UHFFFAOYSA-N 1 2 249.270 0.049 20 0 BCADLO Cn1c2cc(C[N@@H+](C)CC(N)=O)ccc2oc1=O ZINC000258972135 384724562 /nfs/dbraw/zinc/72/45/62/384724562.db2.gz BQGTUPHLMWZPSI-UHFFFAOYSA-N 1 2 249.270 0.049 20 0 BCADLO COc1ncc(C[N@@H+]2CCNC(=O)CC2)s1 ZINC000643886013 384725826 /nfs/dbraw/zinc/72/58/26/384725826.db2.gz GYZBVHNTPZNVFR-UHFFFAOYSA-N 1 2 241.316 0.474 20 0 BCADLO COc1ncc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000643886013 384725834 /nfs/dbraw/zinc/72/58/34/384725834.db2.gz GYZBVHNTPZNVFR-UHFFFAOYSA-N 1 2 241.316 0.474 20 0 BCADLO C[C@](O)(C(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000427508455 384678995 /nfs/dbraw/zinc/67/89/95/384678995.db2.gz BGCNRPYEZMJDSX-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nnc(NCCC[NH+]2CCOCC2)o1 ZINC000309868381 384681652 /nfs/dbraw/zinc/68/16/52/384681652.db2.gz PNUIRENXQPCOKP-UHFFFAOYSA-N 1 2 226.280 0.512 20 0 BCADLO CN(Cc1[nH+]ccn1C)C[C@@H](O)C(F)(F)F ZINC000082680324 384699913 /nfs/dbraw/zinc/69/99/13/384699913.db2.gz CBPGESPSBYEWEJ-SSDOTTSWSA-N 1 2 237.225 0.775 20 0 BCADLO Cc1nc(N2CCOC[C@@H]2C[C@@H](C)O)cc[nH+]1 ZINC000185293935 384700755 /nfs/dbraw/zinc/70/07/55/384700755.db2.gz LKBVVOABZYZFSY-KOLCDFICSA-N 1 2 237.303 0.761 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000309910435 384704949 /nfs/dbraw/zinc/70/49/49/384704949.db2.gz MKPYFWSSDYZRQT-GXSJLCMTSA-N 1 2 233.308 0.315 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000309910437 384705748 /nfs/dbraw/zinc/70/57/48/384705748.db2.gz MKPYFWSSDYZRQT-KOLCDFICSA-N 1 2 233.308 0.315 20 0 BCADLO CON(C)C(=O)NCCCn1cc[nH+]c1 ZINC000185349840 384708263 /nfs/dbraw/zinc/70/82/63/384708263.db2.gz UPCPBNOKSRLHMA-UHFFFAOYSA-N 1 2 212.253 0.476 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1O ZINC000051990801 384708552 /nfs/dbraw/zinc/70/85/52/384708552.db2.gz PHBWIYRRZURHGI-MNOVXSKESA-N 1 2 237.303 0.693 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000082756713 384710401 /nfs/dbraw/zinc/71/04/01/384710401.db2.gz QHLGOUOOEVYOBW-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO COC(=O)C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000052098996 384716598 /nfs/dbraw/zinc/71/65/98/384716598.db2.gz ZQDAHNUQNNLHPS-ZDUSSCGKSA-N 1 2 237.299 0.999 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000052098996 384716604 /nfs/dbraw/zinc/71/66/04/384716604.db2.gz ZQDAHNUQNNLHPS-ZDUSSCGKSA-N 1 2 237.299 0.999 20 0 BCADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(N)=O)s1 ZINC000126099563 384730153 /nfs/dbraw/zinc/73/01/53/384730153.db2.gz YKIUAXKTEOGZCU-RQJHMYQMSA-N 1 2 213.306 0.976 20 0 BCADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(N)=O)s1 ZINC000126098932 384732390 /nfs/dbraw/zinc/73/23/90/384732390.db2.gz YKIUAXKTEOGZCU-NKWVEPMBSA-N 1 2 213.306 0.976 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccon1)[C@H]1CCCO1 ZINC000309960777 384738234 /nfs/dbraw/zinc/73/82/34/384738234.db2.gz LARAQMKHCWZTDZ-GHMZBOCLSA-N 1 2 226.276 0.958 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC2(C)C)C1 ZINC000620076983 384738530 /nfs/dbraw/zinc/73/85/30/384738530.db2.gz BLWQXSBBVZGBCC-JOYOIKCWSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC2(C)C)C1 ZINC000620076983 384738534 /nfs/dbraw/zinc/73/85/34/384738534.db2.gz BLWQXSBBVZGBCC-JOYOIKCWSA-N 1 2 226.320 0.622 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2cncs2)n1 ZINC000309956152 384739777 /nfs/dbraw/zinc/73/97/77/384739777.db2.gz ILMSLGYFIQMEOR-UHFFFAOYSA-N 1 2 239.304 0.882 20 0 BCADLO Cn1cnnc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000536365148 384746217 /nfs/dbraw/zinc/74/62/17/384746217.db2.gz LZWGFVHDRHLOJV-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cnnc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000536365148 384746220 /nfs/dbraw/zinc/74/62/20/384746220.db2.gz LZWGFVHDRHLOJV-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO C[C@@](O)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000309977147 384754565 /nfs/dbraw/zinc/75/45/65/384754565.db2.gz UEHQNOXWITWWNA-NSHDSACASA-N 1 2 223.276 0.509 20 0 BCADLO Cc1nc(N(C)[C@@H](C)C[S@](C)=O)cc[nH+]1 ZINC000185713926 384762819 /nfs/dbraw/zinc/76/28/19/384762819.db2.gz RDKCVJSZJSLWNZ-AYVTZFPOSA-N 1 2 227.333 0.988 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298757 384767449 /nfs/dbraw/zinc/76/74/49/384767449.db2.gz NVAZLKGGNYNFBI-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO Cn1cccc1C[NH2+]CC(F)(F)CO ZINC000183887116 384818935 /nfs/dbraw/zinc/81/89/35/384818935.db2.gz CYMXIEHXWVEBOO-UHFFFAOYSA-N 1 2 204.220 0.742 20 0 BCADLO CC(C)c1nc(C[NH2+]C(C)(C)CC(N)=O)no1 ZINC000186228921 384828684 /nfs/dbraw/zinc/82/86/84/384828684.db2.gz GCBDZGOEPUTMKE-UHFFFAOYSA-N 1 2 240.307 0.937 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H](CC)C(N)=O ZINC000293326193 384832452 /nfs/dbraw/zinc/83/24/52/384832452.db2.gz GHBOKZTWWBPNNA-JTQLQIEISA-N 1 2 225.292 0.933 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H](CC)C(N)=O ZINC000293326193 384832457 /nfs/dbraw/zinc/83/24/57/384832457.db2.gz GHBOKZTWWBPNNA-JTQLQIEISA-N 1 2 225.292 0.933 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCO ZINC000163607557 384832969 /nfs/dbraw/zinc/83/29/69/384832969.db2.gz LBKFCZKNLPECKM-UHFFFAOYSA-N 1 2 247.298 0.843 20 0 BCADLO CC[C@H]([NH2+]CCc1cnccn1)C(=O)OC ZINC000310008517 384781134 /nfs/dbraw/zinc/78/11/34/384781134.db2.gz HSRCEAYEEDRLQY-JTQLQIEISA-N 1 2 223.276 0.560 20 0 BCADLO CCOCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518196200 384789528 /nfs/dbraw/zinc/78/95/28/384789528.db2.gz WSAGGBYRXHWVIK-JTQLQIEISA-N 1 2 225.292 0.987 20 0 BCADLO CCC[C@@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000308537456 384790241 /nfs/dbraw/zinc/79/02/41/384790241.db2.gz SXIQCJDASHKJJZ-DTWKUNHWSA-N 1 2 203.282 0.953 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCO[C@@H]1C ZINC000518215463 384803204 /nfs/dbraw/zinc/80/32/04/384803204.db2.gz RYWCSFSXDZWFBH-NXEZZACHSA-N 1 2 237.303 0.944 20 0 BCADLO O=C(CO)NCC[NH+]1Cc2ccccc2C1 ZINC000648190768 384805612 /nfs/dbraw/zinc/80/56/12/384805612.db2.gz YZBBXXNQMQQENM-UHFFFAOYSA-N 1 2 220.272 0.111 20 0 BCADLO C[C@@H](CNc1cccc[nH+]1)S(N)(=O)=O ZINC000306317300 384877870 /nfs/dbraw/zinc/87/78/70/384877870.db2.gz RVXPDKASNXNTKE-ZETCQYMHSA-N 1 2 215.278 0.171 20 0 BCADLO CC(C)(C(=O)N[C@H]1CC12CC2)[NH+]1CCOCC1 ZINC000335510923 384886499 /nfs/dbraw/zinc/88/64/99/384886499.db2.gz NDQXNHDQTKYGPI-JTQLQIEISA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1[C@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000336097937 384886603 /nfs/dbraw/zinc/88/66/03/384886603.db2.gz OSNVHUURTYOGKQ-ZJUUUORDSA-N 1 2 223.276 0.112 20 0 BCADLO CC(C)(C)OC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000174887463 384845714 /nfs/dbraw/zinc/84/57/14/384845714.db2.gz GUIHAVHCTYCJAK-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000360143805 384848158 /nfs/dbraw/zinc/84/81/58/384848158.db2.gz RIFUJTOKPKFORZ-UWVGGRQHSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+](Cc1ncnn1C)CC(C)C ZINC000177023196 384849837 /nfs/dbraw/zinc/84/98/37/384849837.db2.gz ZBKOUTWDAVOHSF-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO COCC[N@H+](Cc1ncnn1C)CC(C)C ZINC000177023196 384849844 /nfs/dbraw/zinc/84/98/44/384849844.db2.gz ZBKOUTWDAVOHSF-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO COc1ncncc1C[NH2+]CCc1nnc(C)[nH]1 ZINC000647198527 384858120 /nfs/dbraw/zinc/85/81/20/384858120.db2.gz KEFQPGDIDGHJMC-UHFFFAOYSA-N 1 2 248.290 0.244 20 0 BCADLO Cn1c[nH+]cc1CN1CCC[C@]12CCOC2=O ZINC000186664341 384865535 /nfs/dbraw/zinc/86/55/35/384865535.db2.gz XTISMAORHKYBTQ-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO Cc1cncc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000302108760 384960480 /nfs/dbraw/zinc/96/04/80/384960480.db2.gz OQNKTMJKHZZGCL-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000302108760 384960486 /nfs/dbraw/zinc/96/04/86/384960486.db2.gz OQNKTMJKHZZGCL-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO COC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000648224739 384953656 /nfs/dbraw/zinc/95/36/56/384953656.db2.gz ZLWUYZJMMFPDGU-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO CC(C)N(CC(N)=O)Cc1[nH+]ccn1C ZINC000057593522 384956920 /nfs/dbraw/zinc/95/69/20/384956920.db2.gz BCTRDDYHTRFYHW-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923015 384892485 /nfs/dbraw/zinc/89/24/85/384892485.db2.gz CHXYWCIOGOWUJA-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923015 384892491 /nfs/dbraw/zinc/89/24/91/384892491.db2.gz CHXYWCIOGOWUJA-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@H]([NH2+]CC(F)(F)CO)[C@H]1CCCO1 ZINC000308647788 384896989 /nfs/dbraw/zinc/89/69/89/384896989.db2.gz IEQLPYLPHFYLSU-JGVFFNPUSA-N 1 2 209.236 0.771 20 0 BCADLO CCCCC[N@H+](CCO)Cc1ncnn1C ZINC000177174601 384901029 /nfs/dbraw/zinc/90/10/29/384901029.db2.gz CAGWOSOHSVUNLR-UHFFFAOYSA-N 1 2 226.324 0.800 20 0 BCADLO CCCCC[N@@H+](CCO)Cc1ncnn1C ZINC000177174601 384901039 /nfs/dbraw/zinc/90/10/39/384901039.db2.gz CAGWOSOHSVUNLR-UHFFFAOYSA-N 1 2 226.324 0.800 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336267364 384902060 /nfs/dbraw/zinc/90/20/60/384902060.db2.gz MAXOJGADXQHGSK-OIBJUYFYSA-N 1 2 231.271 0.394 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](C)(F)C1 ZINC000336267364 384902064 /nfs/dbraw/zinc/90/20/64/384902064.db2.gz MAXOJGADXQHGSK-OIBJUYFYSA-N 1 2 231.271 0.394 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2C3CCC2CC3)C1 ZINC000530565268 384906922 /nfs/dbraw/zinc/90/69/22/384906922.db2.gz YNFGJJQMWJJBDP-VQXHTEKXSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2C3CCC2CC3)C1 ZINC000530565268 384906928 /nfs/dbraw/zinc/90/69/28/384906928.db2.gz YNFGJJQMWJJBDP-VQXHTEKXSA-N 1 2 224.304 0.470 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000565751272 384920704 /nfs/dbraw/zinc/92/07/04/384920704.db2.gz AIZZMKUHSKREOF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000565751272 384920707 /nfs/dbraw/zinc/92/07/07/384920707.db2.gz AIZZMKUHSKREOF-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000301794175 384921223 /nfs/dbraw/zinc/92/12/23/384921223.db2.gz XWSFIFBOXCUTBR-IONNQARKSA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000301794175 384921228 /nfs/dbraw/zinc/92/12/28/384921228.db2.gz XWSFIFBOXCUTBR-IONNQARKSA-N 1 2 242.348 0.978 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230268229 384924233 /nfs/dbraw/zinc/92/42/33/384924233.db2.gz UVPSYLZKKXSCIR-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230268229 384924240 /nfs/dbraw/zinc/92/42/40/384924240.db2.gz UVPSYLZKKXSCIR-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO COCc1cc(C[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000085222900 384927160 /nfs/dbraw/zinc/92/71/60/384927160.db2.gz LLHSPIUETCPFRM-SNVBAGLBSA-N 1 2 226.276 0.778 20 0 BCADLO COCc1cc(C[N@H+]2CCC[C@@H](O)C2)no1 ZINC000085222900 384927166 /nfs/dbraw/zinc/92/71/66/384927166.db2.gz LLHSPIUETCPFRM-SNVBAGLBSA-N 1 2 226.276 0.778 20 0 BCADLO CN(CCO)c1nc(N)c2ccccc2[nH+]1 ZINC000301891037 384939716 /nfs/dbraw/zinc/93/97/16/384939716.db2.gz RGOVMINDXKSYCS-UHFFFAOYSA-N 1 2 218.260 0.641 20 0 BCADLO COCC[C@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000309949078 384939994 /nfs/dbraw/zinc/93/99/94/384939994.db2.gz FILJTSDXUUVDBH-QMMMGPOBSA-N 1 2 224.264 0.087 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000370823435 384940970 /nfs/dbraw/zinc/94/09/70/384940970.db2.gz IXFRTFCFZQOMQR-PCAWENJQSA-N 1 2 235.331 0.069 20 0 BCADLO O=C(CCC1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000370824260 384943906 /nfs/dbraw/zinc/94/39/06/384943906.db2.gz PXJTWJFEKUQNFO-GFCCVEGCSA-N 1 2 237.347 0.293 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCCOCC1)[C@@H](C)O ZINC000309952388 384946881 /nfs/dbraw/zinc/94/68/81/384946881.db2.gz GTSJVOBRFCSNSH-OPRDCNLKSA-N 1 2 231.292 0.068 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000302143105 384975285 /nfs/dbraw/zinc/97/52/85/384975285.db2.gz HZPISYYWAXSWKW-GFCCVEGCSA-N 1 2 247.346 0.505 20 0 BCADLO CCO[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000226402412 385012194 /nfs/dbraw/zinc/01/21/94/385012194.db2.gz NMVHNYRBZNYCNS-IUCAKERBSA-N 1 2 239.323 0.503 20 0 BCADLO C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1nnc[nH]1 ZINC000226408289 385012465 /nfs/dbraw/zinc/01/24/65/385012465.db2.gz NTVMFKIFTBJEOK-WCBMZHEXSA-N 1 2 245.286 0.682 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1nc[nH+]c(N)c1Cl ZINC000302881875 385014478 /nfs/dbraw/zinc/01/44/78/385014478.db2.gz IJRMSRQSOFIKLS-SSDOTTSWSA-N 1 2 242.710 0.919 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1[nH+]cnc(N)c1Cl ZINC000302881875 385014483 /nfs/dbraw/zinc/01/44/83/385014483.db2.gz IJRMSRQSOFIKLS-SSDOTTSWSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000557561151 385018337 /nfs/dbraw/zinc/01/83/37/385018337.db2.gz FIYKKBRFPULLGV-SECBINFHSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557561151 385018345 /nfs/dbraw/zinc/01/83/45/385018345.db2.gz FIYKKBRFPULLGV-SECBINFHSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000557561152 385018944 /nfs/dbraw/zinc/01/89/44/385018944.db2.gz FIYKKBRFPULLGV-VIFPVBQESA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000557561152 385018947 /nfs/dbraw/zinc/01/89/47/385018947.db2.gz FIYKKBRFPULLGV-VIFPVBQESA-N 1 2 236.319 0.676 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000518394162 385047903 /nfs/dbraw/zinc/04/79/03/385047903.db2.gz OTXYWPYNIVJNKG-SNVBAGLBSA-N 1 2 242.363 0.851 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOCC(F)F ZINC000188965520 385051457 /nfs/dbraw/zinc/05/14/57/385051457.db2.gz NLIMXUNBJUKDPP-UHFFFAOYSA-N 1 2 225.235 0.763 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOCC(F)F ZINC000188965520 385051464 /nfs/dbraw/zinc/05/14/64/385051464.db2.gz NLIMXUNBJUKDPP-UHFFFAOYSA-N 1 2 225.235 0.763 20 0 BCADLO COC[C@@](C)(O)CNc1cc[nH+]c2ccncc12 ZINC000530776553 385052546 /nfs/dbraw/zinc/05/25/46/385052546.db2.gz PBGDAUWHOLECLX-ZDUSSCGKSA-N 1 2 247.298 0.861 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1C1CC1 ZINC000177607172 385061618 /nfs/dbraw/zinc/06/16/18/385061618.db2.gz AFOXBJMXQOPBTR-VXGBXAGGSA-N 1 2 238.331 0.481 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)ncn1 ZINC000644654895 385062517 /nfs/dbraw/zinc/06/25/17/385062517.db2.gz JZRBFCDHEGEGSD-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N2CCCC2)ncn1 ZINC000644654895 385062523 /nfs/dbraw/zinc/06/25/23/385062523.db2.gz JZRBFCDHEGEGSD-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](CCO)C[C@H](C)O ZINC000310445185 385067546 /nfs/dbraw/zinc/06/75/46/385067546.db2.gz QULWDNVXWGKGSW-JTQLQIEISA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)n1ncnc1C[N@H+](CCO)C[C@H](C)O ZINC000310445185 385067555 /nfs/dbraw/zinc/06/75/55/385067555.db2.gz QULWDNVXWGKGSW-JTQLQIEISA-N 1 2 242.323 0.034 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)nc1 ZINC000157137318 385080565 /nfs/dbraw/zinc/08/05/65/385080565.db2.gz GTGWERDINGUAAS-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)nc1 ZINC000157137318 385080572 /nfs/dbraw/zinc/08/05/72/385080572.db2.gz GTGWERDINGUAAS-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)nc(N(C)C)[nH+]1 ZINC000408363239 385028825 /nfs/dbraw/zinc/02/88/25/385028825.db2.gz VJFAZNUQEWJKAJ-AOOOYVTPSA-N 1 2 249.318 0.614 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000408363239 385028839 /nfs/dbraw/zinc/02/88/39/385028839.db2.gz VJFAZNUQEWJKAJ-AOOOYVTPSA-N 1 2 249.318 0.614 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000051887242 385035015 /nfs/dbraw/zinc/03/50/15/385035015.db2.gz MDGWHKVATGDVAX-QMMMGPOBSA-N 1 2 223.276 0.761 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000051887242 385035022 /nfs/dbraw/zinc/03/50/22/385035022.db2.gz MDGWHKVATGDVAX-QMMMGPOBSA-N 1 2 223.276 0.761 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2c[nH]nc2C)C[C@H](C)O1 ZINC000188336080 385042202 /nfs/dbraw/zinc/04/22/02/385042202.db2.gz VHRRSEFLCHKOMA-CABZTGNLSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)C[C@H](C)O1 ZINC000188336080 385042207 /nfs/dbraw/zinc/04/22/07/385042207.db2.gz VHRRSEFLCHKOMA-CABZTGNLSA-N 1 2 239.319 0.954 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC000310412557 385045352 /nfs/dbraw/zinc/04/53/52/385045352.db2.gz MPBSCFMZKXJBJU-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC000310412557 385045360 /nfs/dbraw/zinc/04/53/60/385045360.db2.gz MPBSCFMZKXJBJU-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@@H](C(=O)N1CCC1(C)C)[NH+]1CCN(C)CC1 ZINC000530849265 385111634 /nfs/dbraw/zinc/11/16/34/385111634.db2.gz LGGHHHJEPJRJAP-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO Nc1[nH+]cnc(NCCCO)c1Cl ZINC000236361043 385117990 /nfs/dbraw/zinc/11/79/90/385117990.db2.gz BEFAQBNYDWLFRC-UHFFFAOYSA-N 1 2 202.645 0.507 20 0 BCADLO Nc1nc[nH+]c(NCCCO)c1Cl ZINC000236361043 385117997 /nfs/dbraw/zinc/11/79/97/385117997.db2.gz BEFAQBNYDWLFRC-UHFFFAOYSA-N 1 2 202.645 0.507 20 0 BCADLO CSC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000151820295 385134392 /nfs/dbraw/zinc/13/43/92/385134392.db2.gz SWJBHTPKXFSDHT-SECBINFHSA-N 1 2 242.348 0.934 20 0 BCADLO Cc1ccc(NC(=O)NCCC(N)=O)c(C)[nH+]1 ZINC000176752263 385142701 /nfs/dbraw/zinc/14/27/01/385142701.db2.gz BCUONCGUTNXNQL-UHFFFAOYSA-N 1 2 236.275 0.695 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000644671854 385086721 /nfs/dbraw/zinc/08/67/21/385086721.db2.gz KDPGREAYKCGRKN-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000644671854 385086725 /nfs/dbraw/zinc/08/67/25/385086725.db2.gz KDPGREAYKCGRKN-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO CCSCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000119452871 385095228 /nfs/dbraw/zinc/09/52/28/385095228.db2.gz KAWQTHLINXTGGI-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO CCSCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000119452871 385095232 /nfs/dbraw/zinc/09/52/32/385095232.db2.gz KAWQTHLINXTGGI-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO C[N@H+](Cc1cscn1)[C@@H]1COC[C@@H]1O ZINC000306578091 385097128 /nfs/dbraw/zinc/09/71/28/385097128.db2.gz VUWFTWSGSLFTFS-BDAKNGLRSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@@H]1COC[C@@H]1O ZINC000306578091 385097138 /nfs/dbraw/zinc/09/71/38/385097138.db2.gz VUWFTWSGSLFTFS-BDAKNGLRSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1ccc(NC(=O)N[C@@H](C)C(N)=O)c(C)[nH+]1 ZINC000176733734 385141067 /nfs/dbraw/zinc/14/10/67/385141067.db2.gz HQVCTZUGGKOACJ-QMMMGPOBSA-N 1 2 236.275 0.694 20 0 BCADLO COC(=O)C1([NH2+]CCO)CCC(C)CC1 ZINC000304677089 385141252 /nfs/dbraw/zinc/14/12/52/385141252.db2.gz DGPKUYPZQQAFMM-UHFFFAOYSA-N 1 2 215.293 0.690 20 0 BCADLO CC(C)[C@H](NS(=O)(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000288964930 385181216 /nfs/dbraw/zinc/18/12/16/385181216.db2.gz QEHONPHCXDWKDV-QMMMGPOBSA-N 1 2 246.336 0.503 20 0 BCADLO C[C@@H]1COCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559829330 385186514 /nfs/dbraw/zinc/18/65/14/385186514.db2.gz DTVPIEJOCMZVQM-ZYHUDNBSSA-N 1 2 249.314 0.939 20 0 BCADLO C[N@H+](CCc1cccnc1)Cc1nnc[nH]1 ZINC000177143010 385188117 /nfs/dbraw/zinc/18/81/17/385188117.db2.gz LXMHLYFNOVVKPY-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1cccnc1)Cc1nnc[nH]1 ZINC000177143010 385188121 /nfs/dbraw/zinc/18/81/21/385188121.db2.gz LXMHLYFNOVVKPY-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO CC(C)(C[NH2+]Cc1ccn[nH]1)[C@@]1(O)CCOC1 ZINC000647246681 385143369 /nfs/dbraw/zinc/14/33/69/385143369.db2.gz NQYBXZBJGRFIFT-GFCCVEGCSA-N 1 2 239.319 0.677 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@](C)(O)C2)o1 ZINC000177972782 385154993 /nfs/dbraw/zinc/15/49/93/385154993.db2.gz NTJZUUVNWFBIIW-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@](C)(O)C2)o1 ZINC000177972782 385155001 /nfs/dbraw/zinc/15/50/01/385155001.db2.gz NTJZUUVNWFBIIW-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO CN(Cc1ccnn1C)C(=O)Cn1cc[nH+]c1 ZINC000360451335 385167048 /nfs/dbraw/zinc/16/70/48/385167048.db2.gz ZJXGGQUUSYGWSP-UHFFFAOYSA-N 1 2 233.275 0.275 20 0 BCADLO Cn1c[nH+]cc1CN1CCNC(=O)C1(C)C ZINC000177046388 385169402 /nfs/dbraw/zinc/16/94/02/385169402.db2.gz RAQWACFBUWWJPJ-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000178009556 385171279 /nfs/dbraw/zinc/17/12/79/385171279.db2.gz YAJNYSHQVIARIZ-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000178009556 385171283 /nfs/dbraw/zinc/17/12/83/385171283.db2.gz YAJNYSHQVIARIZ-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000189626683 385173337 /nfs/dbraw/zinc/17/33/37/385173337.db2.gz LXIPEYTZFJBEJL-SSDOTTSWSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC000189626683 385173344 /nfs/dbraw/zinc/17/33/44/385173344.db2.gz LXIPEYTZFJBEJL-SSDOTTSWSA-N 1 2 215.684 0.640 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000407961815 385179393 /nfs/dbraw/zinc/17/93/93/385179393.db2.gz BBKUZXYEPPDTPA-QXFUBDJGSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000407961815 385179398 /nfs/dbraw/zinc/17/93/98/385179398.db2.gz BBKUZXYEPPDTPA-QXFUBDJGSA-N 1 2 223.276 0.839 20 0 BCADLO O=C(CO)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364169561 385207695 /nfs/dbraw/zinc/20/76/95/385207695.db2.gz PRZPIJXIAYLJFN-SNVBAGLBSA-N 1 2 222.244 0.054 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313029198 385212866 /nfs/dbraw/zinc/21/28/66/385212866.db2.gz HRXRQVAOHGPJJD-VHSXEESVSA-N 1 2 227.304 0.953 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000107823666 385213697 /nfs/dbraw/zinc/21/36/97/385213697.db2.gz IPMZVFQTLFUUQA-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000107823666 385213699 /nfs/dbraw/zinc/21/36/99/385213699.db2.gz IPMZVFQTLFUUQA-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO COC1(C)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000408051532 385248172 /nfs/dbraw/zinc/24/81/72/385248172.db2.gz HZQWCTRQQVADCY-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO COC1(C)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000408051532 385248178 /nfs/dbraw/zinc/24/81/78/385248178.db2.gz HZQWCTRQQVADCY-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO C[C@@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000272322190 385302445 /nfs/dbraw/zinc/30/24/45/385302445.db2.gz BLDYHBRSVQCCST-QMMMGPOBSA-N 1 2 248.286 0.660 20 0 BCADLO COC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C(=O)OC ZINC000308959839 385311405 /nfs/dbraw/zinc/31/14/05/385311405.db2.gz RQGZEZCILYZSGU-GUBZILKMSA-N 1 2 215.293 0.953 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccncc1 ZINC000154251056 385313596 /nfs/dbraw/zinc/31/35/96/385313596.db2.gz BUQDDAQQLPGINS-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccncc1 ZINC000154251056 385313601 /nfs/dbraw/zinc/31/36/01/385313601.db2.gz BUQDDAQQLPGINS-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO C[C@@H](O)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000065521869 385318865 /nfs/dbraw/zinc/31/88/65/385318865.db2.gz UWLDRWOUVAMSAW-SECBINFHSA-N 1 2 236.319 0.282 20 0 BCADLO C[C@@H](O)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000065521869 385318874 /nfs/dbraw/zinc/31/88/74/385318874.db2.gz UWLDRWOUVAMSAW-SECBINFHSA-N 1 2 236.319 0.282 20 0 BCADLO C[C@@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000227849394 385260610 /nfs/dbraw/zinc/26/06/10/385260610.db2.gz DHRJAIMQQGGCPH-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO C[C@@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000227849394 385260615 /nfs/dbraw/zinc/26/06/15/385260615.db2.gz DHRJAIMQQGGCPH-YFKPBYRVSA-N 1 2 216.672 0.895 20 0 BCADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCO1 ZINC000290879812 385261323 /nfs/dbraw/zinc/26/13/23/385261323.db2.gz DMZLXLBINWVNFZ-LBPRGKRZSA-N 1 2 235.287 0.794 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOCC2(CC2)C1 ZINC000557999189 385265032 /nfs/dbraw/zinc/26/50/32/385265032.db2.gz YRWUXADGZHTBNN-UHFFFAOYSA-N 1 2 235.287 0.522 20 0 BCADLO COC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000157757379 385268217 /nfs/dbraw/zinc/26/82/17/385268217.db2.gz GIRHOIUYXHLCAQ-UHFFFAOYSA-N 1 2 224.264 0.088 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)co1 ZINC000130630591 385272372 /nfs/dbraw/zinc/27/23/72/385272372.db2.gz GRBNLJYOKASPCC-UHFFFAOYSA-N 1 2 238.287 0.338 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H]2COC[C@H]2O)s1 ZINC000308983770 385324722 /nfs/dbraw/zinc/32/47/22/385324722.db2.gz JBIFLHUWZMMIQV-APQOSEDMSA-N 1 2 229.305 0.257 20 0 BCADLO COC[C@@](C)([NH2+]CCC1CC1)C(=O)OC ZINC000308910454 385284320 /nfs/dbraw/zinc/28/43/20/385284320.db2.gz DOMPFZDFNDFITF-LLVKDONJSA-N 1 2 215.293 0.954 20 0 BCADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)[C@H]1CO ZINC000299912310 385288693 /nfs/dbraw/zinc/28/86/93/385288693.db2.gz PGKSDPMZOKGJHO-ONGXEEELSA-N 1 2 222.288 0.781 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408440501 385292491 /nfs/dbraw/zinc/29/24/91/385292491.db2.gz CMLVJSMCJHLZPV-FTLITQJKSA-N 1 2 239.275 0.045 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ncn(C)n1 ZINC000308925086 385296780 /nfs/dbraw/zinc/29/67/80/385296780.db2.gz DBHHZTYCKHVRKT-IUCAKERBSA-N 1 2 210.281 0.645 20 0 BCADLO COC(=O)[C@]1([NH2+]CCC(C)C)CCOC1 ZINC000308924786 385297290 /nfs/dbraw/zinc/29/72/90/385297290.db2.gz HXJMPFSGFBFRPP-NSHDSACASA-N 1 2 215.293 0.954 20 0 BCADLO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000191998483 385338537 /nfs/dbraw/zinc/33/85/37/385338537.db2.gz FAQQBKHUPALDGZ-NKWVEPMBSA-N 1 2 233.275 0.880 20 0 BCADLO O=C1NCC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000178188315 385343572 /nfs/dbraw/zinc/34/35/72/385343572.db2.gz HVVGCABZVVULGV-LLVKDONJSA-N 1 2 246.314 0.092 20 0 BCADLO Nc1[nH+]cnc(NCCCOCCO)c1Cl ZINC000192353542 385353633 /nfs/dbraw/zinc/35/36/33/385353633.db2.gz PJQDSWKAFTXVKE-UHFFFAOYSA-N 1 2 246.698 0.523 20 0 BCADLO Nc1nc[nH+]c(NCCCOCCO)c1Cl ZINC000192353542 385353637 /nfs/dbraw/zinc/35/36/37/385353637.db2.gz PJQDSWKAFTXVKE-UHFFFAOYSA-N 1 2 246.698 0.523 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nnc(CC)[nH]1 ZINC000158208582 385365170 /nfs/dbraw/zinc/36/51/70/385365170.db2.gz LNNKDTLOCRRTGG-UHFFFAOYSA-N 1 2 240.307 0.752 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(CC)[nH]1 ZINC000158208582 385365173 /nfs/dbraw/zinc/36/51/73/385365173.db2.gz LNNKDTLOCRRTGG-UHFFFAOYSA-N 1 2 240.307 0.752 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000192628295 385365510 /nfs/dbraw/zinc/36/55/10/385365510.db2.gz PGJLCYGBEYPERP-UHFFFAOYSA-N 1 2 236.271 0.485 20 0 BCADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCNC2=O)s1 ZINC000179069606 385367265 /nfs/dbraw/zinc/36/72/65/385367265.db2.gz CTEPJYJCHSPOEB-YUMQZZPRSA-N 1 2 225.317 0.991 20 0 BCADLO CCNC(=O)C(C)(C)C[NH2+][C@H](CC)C(=O)OC ZINC000192859618 385374314 /nfs/dbraw/zinc/37/43/14/385374314.db2.gz KSDKHRLRBCYDST-SECBINFHSA-N 1 2 244.335 0.690 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCOC1 ZINC000155161595 385378754 /nfs/dbraw/zinc/37/87/54/385378754.db2.gz MQQNRVMWBYDKBR-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)O ZINC000191825465 385326291 /nfs/dbraw/zinc/32/62/91/385326291.db2.gz GRXPFZZLCWUJCF-UHFFFAOYSA-N 1 2 239.319 0.926 20 0 BCADLO COc1cc(C)[nH+]c(CN2CC[C@@H](O)C2)c1 ZINC000168890288 385391965 /nfs/dbraw/zinc/39/19/65/385391965.db2.gz AAMMEIQDVXWOJU-LLVKDONJSA-N 1 2 222.288 0.965 20 0 BCADLO CC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000309066754 385392594 /nfs/dbraw/zinc/39/25/94/385392594.db2.gz ZXFIXBUNAZYFFE-MRVPVSSYSA-N 1 2 213.281 0.974 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cocn1 ZINC000309058787 385395582 /nfs/dbraw/zinc/39/55/82/385395582.db2.gz VPLKIRFXBUCXJN-MRVPVSSYSA-N 1 2 232.305 0.587 20 0 BCADLO C=Cn1cc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000193622715 385403645 /nfs/dbraw/zinc/40/36/45/385403645.db2.gz UWRYJNHBLRKZKY-UHFFFAOYSA-N 1 2 222.292 0.504 20 0 BCADLO C=Cn1cc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000193622715 385403651 /nfs/dbraw/zinc/40/36/51/385403651.db2.gz UWRYJNHBLRKZKY-UHFFFAOYSA-N 1 2 222.292 0.504 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)oc1C ZINC000193644685 385404956 /nfs/dbraw/zinc/40/49/56/385404956.db2.gz JYKPENGTPPPDBB-CPCISQLKSA-N 1 2 237.303 0.906 20 0 BCADLO C[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178922214 385426040 /nfs/dbraw/zinc/42/60/40/385426040.db2.gz GLBLVVJHLBQMCV-MRVPVSSYSA-N 1 2 219.244 0.445 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)C2(C)C)cn1 ZINC000193877284 385416757 /nfs/dbraw/zinc/41/67/57/385416757.db2.gz SZVYQNVQOUSYCJ-UHFFFAOYSA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)C2(C)C)cn1 ZINC000193877284 385416762 /nfs/dbraw/zinc/41/67/62/385416762.db2.gz SZVYQNVQOUSYCJ-UHFFFAOYSA-N 1 2 234.303 0.694 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000362069841 385417416 /nfs/dbraw/zinc/41/74/16/385417416.db2.gz FRLQJDYLDMGQMB-RKDXNWHRSA-N 1 2 210.281 0.690 20 0 BCADLO CO[C@H](C)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000362069841 385417417 /nfs/dbraw/zinc/41/74/17/385417417.db2.gz FRLQJDYLDMGQMB-RKDXNWHRSA-N 1 2 210.281 0.690 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](CO)C1 ZINC000492810551 385438816 /nfs/dbraw/zinc/43/88/16/385438816.db2.gz IGHMZQJIBPUETN-FSIBCCDJSA-N 1 2 235.287 0.654 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029249 385439244 /nfs/dbraw/zinc/43/92/44/385439244.db2.gz HHWNTZBPKVDNPA-VHSXEESVSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029249 385439246 /nfs/dbraw/zinc/43/92/46/385439246.db2.gz HHWNTZBPKVDNPA-VHSXEESVSA-N 1 2 242.319 0.001 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1C1CC1 ZINC000364438663 385442942 /nfs/dbraw/zinc/44/29/42/385442942.db2.gz FCSRKNGWHVYYAF-NSHDSACASA-N 1 2 248.330 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1C1CC1 ZINC000364438663 385442948 /nfs/dbraw/zinc/44/29/48/385442948.db2.gz FCSRKNGWHVYYAF-NSHDSACASA-N 1 2 248.330 0.878 20 0 BCADLO C=Cn1cc(C[N@H+](CC)CC(N)=O)cn1 ZINC000194853403 385451067 /nfs/dbraw/zinc/45/10/67/385451067.db2.gz OMQLTAHGPAPSBV-UHFFFAOYSA-N 1 2 208.265 0.291 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)CC(N)=O)cn1 ZINC000194853403 385451072 /nfs/dbraw/zinc/45/10/72/385451072.db2.gz OMQLTAHGPAPSBV-UHFFFAOYSA-N 1 2 208.265 0.291 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC000492763009 385427758 /nfs/dbraw/zinc/42/77/58/385427758.db2.gz IOSNAAMKTFEUBW-UMBAGQNISA-N 1 2 221.260 0.718 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3cccc(O)c3)CCN12 ZINC000156065600 385433241 /nfs/dbraw/zinc/43/32/41/385433241.db2.gz XEKPEKDBILTXJM-NSHDSACASA-N 1 2 247.298 0.602 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3cccc(O)c3)CCN12 ZINC000156065600 385433244 /nfs/dbraw/zinc/43/32/44/385433244.db2.gz XEKPEKDBILTXJM-NSHDSACASA-N 1 2 247.298 0.602 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3cccc(O)c3)CCN12 ZINC000156065474 385433787 /nfs/dbraw/zinc/43/37/87/385433787.db2.gz XEKPEKDBILTXJM-LLVKDONJSA-N 1 2 247.298 0.602 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3cccc(O)c3)CCN12 ZINC000156065474 385433789 /nfs/dbraw/zinc/43/37/89/385433789.db2.gz XEKPEKDBILTXJM-LLVKDONJSA-N 1 2 247.298 0.602 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000408061695 385435011 /nfs/dbraw/zinc/43/50/11/385435011.db2.gz LUQKFGDMDHSUSI-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000408061695 385435013 /nfs/dbraw/zinc/43/50/13/385435013.db2.gz LUQKFGDMDHSUSI-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194432157 385435690 /nfs/dbraw/zinc/43/56/90/385435690.db2.gz AZPFGYQFIULSHH-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194432157 385435691 /nfs/dbraw/zinc/43/56/91/385435691.db2.gz AZPFGYQFIULSHH-VIFPVBQESA-N 1 2 209.297 0.832 20 0 BCADLO COC(=O)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000171093475 385468293 /nfs/dbraw/zinc/46/82/93/385468293.db2.gz PTDKXASUCKMCMA-SSDOTTSWSA-N 1 2 249.274 0.584 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)OCC1CC1 ZINC000188176303 385471073 /nfs/dbraw/zinc/47/10/73/385471073.db2.gz WMVQOKZMRAGAAL-UHFFFAOYSA-N 1 2 228.292 0.455 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](CO)C1 ZINC000128404111 385481080 /nfs/dbraw/zinc/48/10/80/385481080.db2.gz CAAPZAVXAHMYPE-JTQLQIEISA-N 1 2 225.292 0.220 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](CO)C1 ZINC000128404111 385481081 /nfs/dbraw/zinc/48/10/81/385481081.db2.gz CAAPZAVXAHMYPE-JTQLQIEISA-N 1 2 225.292 0.220 20 0 BCADLO CC(C)n1cc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000179682868 385483749 /nfs/dbraw/zinc/48/37/49/385483749.db2.gz UGHNKUZGXCPVNW-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000179682868 385483754 /nfs/dbraw/zinc/48/37/54/385483754.db2.gz UGHNKUZGXCPVNW-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO CC[C@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000309213637 385484342 /nfs/dbraw/zinc/48/43/42/385484342.db2.gz TYCBRHVDQJGLJS-VIFPVBQESA-N 1 2 215.293 0.833 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CO)CCCC1 ZINC000492902109 385462076 /nfs/dbraw/zinc/46/20/76/385462076.db2.gz QNSDYVFHINBYFK-ARJAWSKDSA-N 1 2 235.287 0.844 20 0 BCADLO O=S1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000111222607 385496896 /nfs/dbraw/zinc/49/68/96/385496896.db2.gz PIIUPYQGBOMCBN-SNVBAGLBSA-N 1 2 217.334 0.620 20 0 BCADLO C[C@@H]1C[C@@H](CO)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493078884 385514397 /nfs/dbraw/zinc/51/43/97/385514397.db2.gz CGKIGCKRSNFZBF-WUNPDAOYSA-N 1 2 249.314 0.900 20 0 BCADLO CC(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106820124 385533151 /nfs/dbraw/zinc/53/31/51/385533151.db2.gz CRJUUEZFTXNLJX-LLVKDONJSA-N 1 2 227.352 0.395 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000368796628 385539787 /nfs/dbraw/zinc/53/97/87/385539787.db2.gz FBNUZNWUMSDMTP-SNVBAGLBSA-N 1 2 235.287 0.304 20 0 BCADLO O=C(CCNc1cccc[nH+]1)N1CCOCC1 ZINC000158086500 385546769 /nfs/dbraw/zinc/54/67/69/385546769.db2.gz ZSTGCMZWPQHLIX-UHFFFAOYSA-N 1 2 235.287 0.742 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493120513 385525219 /nfs/dbraw/zinc/52/52/19/385525219.db2.gz QQDDXVFQGPRKTL-FBFNWGNUSA-N 1 2 223.276 0.699 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000408064164 385525342 /nfs/dbraw/zinc/52/53/42/385525342.db2.gz UOLKYSNCLQDDPC-MRVPVSSYSA-N 1 2 208.265 0.025 20 0 BCADLO COCc1nsc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000643030555 385525995 /nfs/dbraw/zinc/52/59/95/385525995.db2.gz ZDQZEAKNNXVDIX-HTQZYQBOSA-N 1 2 242.348 0.788 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C(=O)c1cnn(C)c1 ZINC000107288128 385562139 /nfs/dbraw/zinc/56/21/39/385562139.db2.gz KNFOOLDJKKEFAE-UHFFFAOYSA-N 1 2 244.254 0.945 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)N1CCOCC1 ZINC000337321421 385596943 /nfs/dbraw/zinc/59/69/43/385596943.db2.gz JLRGKNOJXRPARO-LLVKDONJSA-N 1 2 249.314 0.471 20 0 BCADLO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1csnn1 ZINC000647909171 385600933 /nfs/dbraw/zinc/60/09/33/385600933.db2.gz RFTYJBXQTCCIRW-YUMQZZPRSA-N 1 2 238.320 0.869 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CN(C)C(=O)C1CC1 ZINC000593430562 385583933 /nfs/dbraw/zinc/58/39/33/385583933.db2.gz MVPNFDGBUWIBIX-UHFFFAOYSA-N 1 2 247.298 0.619 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](O)C(F)F ZINC000493655970 385588984 /nfs/dbraw/zinc/58/89/84/385588984.db2.gz PTBCCTHCBNCHNK-UGQQDIOTSA-N 1 2 231.202 0.165 20 0 BCADLO Cc1c(C(=O)N2CCn3cc[nH+]c3C2)cnn1C ZINC000408166813 385590289 /nfs/dbraw/zinc/59/02/89/385590289.db2.gz UTOCIKPTMQMEEU-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO CC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309496100 385615894 /nfs/dbraw/zinc/61/58/94/385615894.db2.gz YMMWNGMRCIANRV-QMMMGPOBSA-N 1 2 225.296 0.429 20 0 BCADLO CC[C@@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309496100 385615901 /nfs/dbraw/zinc/61/59/01/385615901.db2.gz YMMWNGMRCIANRV-QMMMGPOBSA-N 1 2 225.296 0.429 20 0 BCADLO CC(C)CONC(=O)NCc1[nH+]ccn1C ZINC000269704143 385626111 /nfs/dbraw/zinc/62/61/11/385626111.db2.gz YZSZUBQQEUBXAW-UHFFFAOYSA-N 1 2 226.280 0.807 20 0 BCADLO CN1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000065607680 385630473 /nfs/dbraw/zinc/63/04/73/385630473.db2.gz CRIHOMMCFIKTBZ-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000595505284 385631516 /nfs/dbraw/zinc/63/15/16/385631516.db2.gz PQCINGUPOKFKTI-OPRDCNLKSA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@H]1C ZINC000595505284 385631520 /nfs/dbraw/zinc/63/15/20/385631520.db2.gz PQCINGUPOKFKTI-OPRDCNLKSA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cnn(C)c1 ZINC000280810913 385607671 /nfs/dbraw/zinc/60/76/71/385607671.db2.gz TWILRBBLBCDQBQ-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cnn(C)c1 ZINC000280810913 385607678 /nfs/dbraw/zinc/60/76/78/385607678.db2.gz TWILRBBLBCDQBQ-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO CO[C@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000280819907 385608082 /nfs/dbraw/zinc/60/80/82/385608082.db2.gz HTPSZSLDVHBVON-JTQLQIEISA-N 1 2 223.276 0.461 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](C)C(C)C)C[NH2+]1 ZINC000365683774 385612067 /nfs/dbraw/zinc/61/20/67/385612067.db2.gz YYLFTYOSZYWOHP-LPEHRKFASA-N 1 2 242.319 0.298 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337413793 385644669 /nfs/dbraw/zinc/64/46/69/385644669.db2.gz QFEZWGRFFVVDFD-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337413793 385644676 /nfs/dbraw/zinc/64/46/76/385644676.db2.gz QFEZWGRFFVVDFD-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO C[C@H](C(=O)N(C)C)N1CCn2c[nH+]cc2C1 ZINC000647939581 385656724 /nfs/dbraw/zinc/65/67/24/385656724.db2.gz SORFDWGBBQHKFI-SECBINFHSA-N 1 2 222.292 0.175 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000337432695 385659261 /nfs/dbraw/zinc/65/92/61/385659261.db2.gz ZRLMPNXQBYCVAK-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000337432695 385659267 /nfs/dbraw/zinc/65/92/67/385659267.db2.gz ZRLMPNXQBYCVAK-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO CC[C@H]([NH2+][C@@H](COC)c1ccco1)C(N)=O ZINC000184530001 385672555 /nfs/dbraw/zinc/67/25/55/385672555.db2.gz KYWCGYHSWWXDGZ-IUCAKERBSA-N 1 2 226.276 0.821 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000270152406 385677221 /nfs/dbraw/zinc/67/72/21/385677221.db2.gz VUGXQEYWCFMQER-VIFPVBQESA-N 1 2 248.290 0.667 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)NC1CCCC1 ZINC000647939634 385686250 /nfs/dbraw/zinc/68/62/50/385686250.db2.gz VISMRFRGZKFNFW-UHFFFAOYSA-N 1 2 248.330 0.758 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccon1 ZINC000309553759 385686445 /nfs/dbraw/zinc/68/64/45/385686445.db2.gz JAMWJBASRBAEPX-SCZZXKLOSA-N 1 2 223.276 0.994 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(C)cn1 ZINC000270223776 385687044 /nfs/dbraw/zinc/68/70/44/385687044.db2.gz HVEUKTRCVFSQMC-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000645221766 385688714 /nfs/dbraw/zinc/68/87/14/385688714.db2.gz GGVADDUEINCUHJ-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000645221766 385688719 /nfs/dbraw/zinc/68/87/19/385688719.db2.gz GGVADDUEINCUHJ-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO Cn1ccc(C[N@@H+]2CCCC3(C2)OCCO3)n1 ZINC000211703572 385692060 /nfs/dbraw/zinc/69/20/60/385692060.db2.gz WANXRJLEMBSRBF-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1ccc(C[N@H+]2CCCC3(C2)OCCO3)n1 ZINC000211703572 385692068 /nfs/dbraw/zinc/69/20/68/385692068.db2.gz WANXRJLEMBSRBF-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO c1ncn2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000647939662 385694635 /nfs/dbraw/zinc/69/46/35/385694635.db2.gz WKPHVLANMZKVHD-LLVKDONJSA-N 1 2 207.277 0.878 20 0 BCADLO c1ncn2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC000647939662 385694638 /nfs/dbraw/zinc/69/46/38/385694638.db2.gz WKPHVLANMZKVHD-LLVKDONJSA-N 1 2 207.277 0.878 20 0 BCADLO c1[nH+]cn2c1CN(C[C@H]1CCCO1)CC2 ZINC000647939662 385694640 /nfs/dbraw/zinc/69/46/40/385694640.db2.gz WKPHVLANMZKVHD-LLVKDONJSA-N 1 2 207.277 0.878 20 0 BCADLO C[C@H](CC(=O)N(C)C)[NH2+]CC(F)(F)CO ZINC000184699306 385695422 /nfs/dbraw/zinc/69/54/22/385695422.db2.gz WYKGUXATLUOPAT-SSDOTTSWSA-N 1 2 224.251 0.070 20 0 BCADLO C[C@@H](NCC(F)(F)CO)c1[nH+]ccn1C ZINC000184699944 385696304 /nfs/dbraw/zinc/69/63/04/385696304.db2.gz UMHQQIPDHCRQFE-SSDOTTSWSA-N 1 2 219.235 0.698 20 0 BCADLO CC[C@@H]([NH2+]CCC(=O)OC(C)C)C(=O)OC ZINC000336739787 385698451 /nfs/dbraw/zinc/69/84/51/385698451.db2.gz PLMBSIYZWUOZCT-SECBINFHSA-N 1 2 231.292 0.869 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000408456864 385699845 /nfs/dbraw/zinc/69/98/45/385699845.db2.gz LXLACDNRWCTERZ-KCJUWKMLSA-N 1 2 213.277 0.237 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000408456864 385699849 /nfs/dbraw/zinc/69/98/49/385699849.db2.gz LXLACDNRWCTERZ-KCJUWKMLSA-N 1 2 213.277 0.237 20 0 BCADLO Cc1c(CNC(=O)CCn2cc[nH+]c2)cnn1C ZINC000270385143 385704031 /nfs/dbraw/zinc/70/40/31/385704031.db2.gz PIBVFIMXEIYNJN-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000270415233 385706065 /nfs/dbraw/zinc/70/60/65/385706065.db2.gz JFLBKXVDKRAJEY-JTQLQIEISA-N 1 2 233.271 0.997 20 0 BCADLO CC[C@](C)([NH2+]Cc1ncccn1)C(N)=O ZINC000336688201 385709128 /nfs/dbraw/zinc/70/91/28/385709128.db2.gz LKQNLGKAJNMSBW-JTQLQIEISA-N 1 2 208.265 0.220 20 0 BCADLO CO[C@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000309576567 385709701 /nfs/dbraw/zinc/70/97/01/385709701.db2.gz PBZVJFJZKVOFFU-BDAKNGLRSA-N 1 2 225.296 0.257 20 0 BCADLO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000307362559 385715782 /nfs/dbraw/zinc/71/57/82/385715782.db2.gz IUPXHSMCZJPFLI-BQBZGAKWSA-N 1 2 213.310 0.194 20 0 BCADLO Cc1c[nH+]c(CN2CC3(C2)CCOC3)n1C ZINC000354775772 385666873 /nfs/dbraw/zinc/66/68/73/385666873.db2.gz SMWYRXILMIERBL-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO Cc1cnc(C[NH+]2CC3(C2)CCOC3)n1C ZINC000354775772 385666880 /nfs/dbraw/zinc/66/68/80/385666880.db2.gz SMWYRXILMIERBL-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO CC(C)COCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000337453808 385667038 /nfs/dbraw/zinc/66/70/38/385667038.db2.gz GQXHDXQNTUPJQK-UHFFFAOYSA-N 1 2 224.308 0.835 20 0 BCADLO CC(C)COCC[N@H+]1CCc2nn[nH]c2C1 ZINC000337453808 385667045 /nfs/dbraw/zinc/66/70/45/385667045.db2.gz GQXHDXQNTUPJQK-UHFFFAOYSA-N 1 2 224.308 0.835 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1nncn1C ZINC000188207466 385669265 /nfs/dbraw/zinc/66/92/65/385669265.db2.gz VUPBKOVFRZTKKD-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1nncn1C ZINC000188207466 385669267 /nfs/dbraw/zinc/66/92/67/385669267.db2.gz VUPBKOVFRZTKKD-SECBINFHSA-N 1 2 242.348 0.628 20 0 BCADLO Nc1[nH+]cnc(N2C[C@H](O)C3(CC3)C2)c1Cl ZINC000309607048 385737197 /nfs/dbraw/zinc/73/71/97/385737197.db2.gz LOMLFTQTVPDCEM-LURJTMIESA-N 1 2 240.694 0.673 20 0 BCADLO Nc1nc[nH+]c(N2C[C@H](O)C3(CC3)C2)c1Cl ZINC000309607048 385737202 /nfs/dbraw/zinc/73/72/02/385737202.db2.gz LOMLFTQTVPDCEM-LURJTMIESA-N 1 2 240.694 0.673 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](C)C2CC2)C[NH2+]1 ZINC000365756498 385737981 /nfs/dbraw/zinc/73/79/81/385737981.db2.gz FBGRDILAFMDALY-UJNFCWOMSA-N 1 2 240.303 0.052 20 0 BCADLO O=C(CO)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000270779193 385744503 /nfs/dbraw/zinc/74/45/03/385744503.db2.gz STTXHWIBHKIRAM-UHFFFAOYSA-N 1 2 235.287 0.290 20 0 BCADLO COCc1ccc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000309612753 385746745 /nfs/dbraw/zinc/74/67/45/385746745.db2.gz AQYJGBQBVMKXMK-UHFFFAOYSA-N 1 2 224.260 0.534 20 0 BCADLO O=C(CO)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000270806352 385746687 /nfs/dbraw/zinc/74/66/87/385746687.db2.gz OPHCDAABKNGJLR-QMMMGPOBSA-N 1 2 209.249 0.456 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1ccnc1 ZINC000270826670 385748472 /nfs/dbraw/zinc/74/84/72/385748472.db2.gz CCYDDLZDXNBNAN-JTQLQIEISA-N 1 2 222.292 0.094 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1ccnc1 ZINC000270826670 385748474 /nfs/dbraw/zinc/74/84/74/385748474.db2.gz CCYDDLZDXNBNAN-JTQLQIEISA-N 1 2 222.292 0.094 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000270926008 385760183 /nfs/dbraw/zinc/76/01/83/385760183.db2.gz GEOGJVCHYZSBCZ-ZCFIWIBFSA-N 1 2 209.249 0.816 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000309673237 385787157 /nfs/dbraw/zinc/78/71/57/385787157.db2.gz WXYBAMOCADAJHP-WDEREUQCSA-N 1 2 225.292 0.693 20 0 BCADLO CCN(C)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000271010465 385769594 /nfs/dbraw/zinc/76/95/94/385769594.db2.gz LTEJXJPKNNCFML-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)CC(C)C)c[nH+]1 ZINC000271012485 385770678 /nfs/dbraw/zinc/77/06/78/385770678.db2.gz IIEKHQLEJKNHGT-VIFPVBQESA-N 1 2 225.292 0.855 20 0 BCADLO CO[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000309662549 385774265 /nfs/dbraw/zinc/77/42/65/385774265.db2.gz RWOCBCLNUUOOLC-SSDOTTSWSA-N 1 2 225.296 0.693 20 0 BCADLO CO[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000309662549 385774269 /nfs/dbraw/zinc/77/42/69/385774269.db2.gz RWOCBCLNUUOOLC-SSDOTTSWSA-N 1 2 225.296 0.693 20 0 BCADLO CC[C@H]([NH2+]CC1(CC)COC1)C(=O)OC ZINC000393992699 385778911 /nfs/dbraw/zinc/77/89/11/385778911.db2.gz VEAJQRIVHVZTSA-VIFPVBQESA-N 1 2 215.293 0.954 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)O ZINC000293979582 385779624 /nfs/dbraw/zinc/77/96/24/385779624.db2.gz MUZDXZIFYBUIEJ-SNVBAGLBSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(C)(C)O ZINC000293979582 385779629 /nfs/dbraw/zinc/77/96/29/385779629.db2.gz MUZDXZIFYBUIEJ-SNVBAGLBSA-N 1 2 239.319 0.926 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282698913 385779651 /nfs/dbraw/zinc/77/96/51/385779651.db2.gz JQAIAADELHEENC-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282698913 385779658 /nfs/dbraw/zinc/77/96/58/385779658.db2.gz JQAIAADELHEENC-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000271053957 385779960 /nfs/dbraw/zinc/77/99/60/385779960.db2.gz XXBBXRTVGRZXCW-UHFFFAOYSA-N 1 2 247.302 0.425 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000271053957 385779963 /nfs/dbraw/zinc/77/99/63/385779963.db2.gz XXBBXRTVGRZXCW-UHFFFAOYSA-N 1 2 247.302 0.425 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000282707480 385780551 /nfs/dbraw/zinc/78/05/51/385780551.db2.gz KIIBUASEXFFBRF-JTQLQIEISA-N 1 2 229.301 0.899 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000282707480 385780555 /nfs/dbraw/zinc/78/05/55/385780555.db2.gz KIIBUASEXFFBRF-JTQLQIEISA-N 1 2 229.301 0.899 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1 ZINC000293997017 385780725 /nfs/dbraw/zinc/78/07/25/385780725.db2.gz JIOVQESAOAMOQP-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO Cn1nccc1CC[N@@H+]1CC(=O)NCC1(C)C ZINC000282730589 385783383 /nfs/dbraw/zinc/78/33/83/385783383.db2.gz COEADRZZXFTOIN-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO Cn1nccc1CC[N@H+]1CC(=O)NCC1(C)C ZINC000282730589 385783386 /nfs/dbraw/zinc/78/33/86/385783386.db2.gz COEADRZZXFTOIN-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO COCCn1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000271094834 385784491 /nfs/dbraw/zinc/78/44/91/385784491.db2.gz KUVXRRJFVDRTEX-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO COCCn1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000271094834 385784496 /nfs/dbraw/zinc/78/44/96/385784496.db2.gz KUVXRRJFVDRTEX-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)NCC1CC1 ZINC000270572448 385719761 /nfs/dbraw/zinc/71/97/61/385719761.db2.gz ZTNSXBIXFXLHGE-UHFFFAOYSA-N 1 2 234.303 0.294 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)NCC1CC1 ZINC000270572448 385719770 /nfs/dbraw/zinc/71/97/70/385719770.db2.gz ZTNSXBIXFXLHGE-UHFFFAOYSA-N 1 2 234.303 0.294 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCNC2=O)s1 ZINC000336735935 385722298 /nfs/dbraw/zinc/72/22/98/385722298.db2.gz IJPHFKOJPOGHIR-SVRRBLITSA-N 1 2 240.332 0.776 20 0 BCADLO O=c1nc(C[NH2+]C2(c3ccccc3)CC2)[nH][nH]1 ZINC000271869445 385856341 /nfs/dbraw/zinc/85/63/41/385856341.db2.gz VVTNDZRAPOMJQU-UHFFFAOYSA-N 1 2 230.271 0.877 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000271185768 385799702 /nfs/dbraw/zinc/79/97/02/385799702.db2.gz NHJWWFJIDSMAKU-VIFPVBQESA-N 1 2 236.319 0.771 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000271185768 385799707 /nfs/dbraw/zinc/79/97/07/385799707.db2.gz NHJWWFJIDSMAKU-VIFPVBQESA-N 1 2 236.319 0.771 20 0 BCADLO COCCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000644763657 385804184 /nfs/dbraw/zinc/80/41/84/385804184.db2.gz GYPSORYFPMRIDY-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO C[NH+](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331640611 385804479 /nfs/dbraw/zinc/80/44/79/385804479.db2.gz NBMUAODBBYNKOT-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO CCN(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000283061404 385807914 /nfs/dbraw/zinc/80/79/14/385807914.db2.gz UCCATCNVHYDMDT-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1ccc(C[S@](=O)CC(N)=O)c(C)[nH+]1 ZINC000337862059 385810501 /nfs/dbraw/zinc/81/05/01/385810501.db2.gz BMTSEQOYNACILA-HNNXBMFYSA-N 1 2 226.301 0.432 20 0 BCADLO CC[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)OC ZINC000336737744 385818750 /nfs/dbraw/zinc/81/87/50/385818750.db2.gz NUXYWEMIKXOHPU-LPEHRKFASA-N 1 2 231.292 0.068 20 0 BCADLO C[C@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271336282 385819631 /nfs/dbraw/zinc/81/96/31/385819631.db2.gz SIWSUWBFLPKDLD-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO CC[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)OC ZINC000336737743 385819928 /nfs/dbraw/zinc/81/99/28/385819928.db2.gz NUXYWEMIKXOHPU-IVZWLZJFSA-N 1 2 231.292 0.068 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccncc1 ZINC000186966335 385820399 /nfs/dbraw/zinc/82/03/99/385820399.db2.gz BMSPXMVEZHGWPG-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccncc1 ZINC000186966335 385820401 /nfs/dbraw/zinc/82/04/01/385820401.db2.gz BMSPXMVEZHGWPG-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CCO1 ZINC000271362357 385821763 /nfs/dbraw/zinc/82/17/63/385821763.db2.gz FBFDFHHJYZHGBG-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644835030 385823503 /nfs/dbraw/zinc/82/35/03/385823503.db2.gz ISXFFWNQPWGNDC-NXEZZACHSA-N 1 2 235.287 0.351 20 0 BCADLO CC[N@H+](C[C@H]1CN(C)C(=O)O1)C1COC1 ZINC000496026561 385829438 /nfs/dbraw/zinc/82/94/38/385829438.db2.gz YUAOFXDCPIKXIU-SECBINFHSA-N 1 2 214.265 0.158 20 0 BCADLO CC[N@@H+](C[C@H]1CN(C)C(=O)O1)C1COC1 ZINC000496026561 385829441 /nfs/dbraw/zinc/82/94/41/385829441.db2.gz YUAOFXDCPIKXIU-SECBINFHSA-N 1 2 214.265 0.158 20 0 BCADLO CN1C(=O)[C@@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000365887528 385834042 /nfs/dbraw/zinc/83/40/42/385834042.db2.gz ZKYZIZOIBKMDRC-VIFPVBQESA-N 1 2 246.270 0.164 20 0 BCADLO COCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493458720 533146227 /nfs/dbraw/zinc/14/62/27/533146227.db2.gz GKVVRWLLUWMJMP-IHWYPQMZSA-N 1 2 221.260 0.718 20 0 BCADLO c1cn(CC2CC[NH+](Cc3cnn[nH]3)CC2)nn1 ZINC000283987458 385844788 /nfs/dbraw/zinc/84/47/88/385844788.db2.gz MOLYEXHIQCKTLF-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO c1cn(CC2CC[NH+](Cc3c[nH]nn3)CC2)nn1 ZINC000283987458 385844790 /nfs/dbraw/zinc/84/47/90/385844790.db2.gz MOLYEXHIQCKTLF-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO c1cn(CC2CC[NH+](Cc3cn[nH]n3)CC2)nn1 ZINC000283987458 385844791 /nfs/dbraw/zinc/84/47/91/385844791.db2.gz MOLYEXHIQCKTLF-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO C[N@H+](CC(=O)Nc1ccncc1)[C@H]1CCOC1 ZINC000112559353 385844955 /nfs/dbraw/zinc/84/49/55/385844955.db2.gz NYMQQIHDDKOYDM-NSHDSACASA-N 1 2 235.287 0.741 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccncc1)[C@H]1CCOC1 ZINC000112559353 385844958 /nfs/dbraw/zinc/84/49/58/385844958.db2.gz NYMQQIHDDKOYDM-NSHDSACASA-N 1 2 235.287 0.741 20 0 BCADLO CO[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000294405975 385846763 /nfs/dbraw/zinc/84/67/63/385846763.db2.gz FJEHJVOCWICLII-LLVKDONJSA-N 1 2 237.303 0.802 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331686191 385847992 /nfs/dbraw/zinc/84/79/92/385847992.db2.gz RLGLRUNIYZWVHX-VIFPVBQESA-N 1 2 209.249 0.451 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331686191 385847994 /nfs/dbraw/zinc/84/79/94/385847994.db2.gz RLGLRUNIYZWVHX-VIFPVBQESA-N 1 2 209.249 0.451 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000305861830 385852989 /nfs/dbraw/zinc/85/29/89/385852989.db2.gz XMFBWKZOQIZADH-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000305861830 385852993 /nfs/dbraw/zinc/85/29/93/385852993.db2.gz XMFBWKZOQIZADH-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1cscn1 ZINC000284162839 385854244 /nfs/dbraw/zinc/85/42/44/385854244.db2.gz WPIBJTNVBFFBIU-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1cscn1 ZINC000284162839 385854247 /nfs/dbraw/zinc/85/42/47/385854247.db2.gz WPIBJTNVBFFBIU-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294478274 385855591 /nfs/dbraw/zinc/85/55/91/385855591.db2.gz RKUOMURSLOSNCH-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294478274 385855595 /nfs/dbraw/zinc/85/55/95/385855595.db2.gz RKUOMURSLOSNCH-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+](C)CCOCCO ZINC000282865868 385793262 /nfs/dbraw/zinc/79/32/62/385793262.db2.gz XOWXABCUEHCZKW-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+](C)CCOCCO ZINC000282865868 385793267 /nfs/dbraw/zinc/79/32/67/385793267.db2.gz XOWXABCUEHCZKW-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)CCO1 ZINC000271153849 385794805 /nfs/dbraw/zinc/79/48/05/385794805.db2.gz APMFLWUYRJKTLC-NSHDSACASA-N 1 2 239.319 0.874 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CCO1 ZINC000271153849 385794812 /nfs/dbraw/zinc/79/48/12/385794812.db2.gz APMFLWUYRJKTLC-NSHDSACASA-N 1 2 239.319 0.874 20 0 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BCADLO Cc1nocc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000294739335 385890460 /nfs/dbraw/zinc/89/04/60/385890460.db2.gz QQIPGPFEVYNHGI-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO CO[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000294764964 385893856 /nfs/dbraw/zinc/89/38/56/385893856.db2.gz ZEEZORIJVYTEBA-SGUJLRQBSA-N 1 2 235.287 0.964 20 0 BCADLO O=C([C@H]1C[C@@H]1C(F)F)N1CC[NH+](CCO)CC1 ZINC000338126191 385896192 /nfs/dbraw/zinc/89/61/92/385896192.db2.gz IOSACZJHCJEGDX-IUCAKERBSA-N 1 2 248.273 0.024 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)NCc1[nH+]ccn1C ZINC000272336988 385896595 /nfs/dbraw/zinc/89/65/95/385896595.db2.gz GQJKBIGDECIIME-SECBINFHSA-N 1 2 245.348 0.886 20 0 BCADLO Cc1nc(NCCC[C@H](C)O)nc(N)[nH+]1 ZINC000308853954 385899056 /nfs/dbraw/zinc/89/90/56/385899056.db2.gz HWWVMJWNXYYIFG-LURJTMIESA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(N)nc(NCCC[C@H](C)O)[nH+]1 ZINC000308853954 385899059 /nfs/dbraw/zinc/89/90/59/385899059.db2.gz HWWVMJWNXYYIFG-LURJTMIESA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(NC2CCOCC2)nc(N)[nH+]1 ZINC000308855666 385899189 /nfs/dbraw/zinc/89/91/89/385899189.db2.gz IMCNCUQGUFPXLS-UHFFFAOYSA-N 1 2 209.253 0.353 20 0 BCADLO Cc1nc(N)nc(NC2CCOCC2)[nH+]1 ZINC000308855666 385899191 /nfs/dbraw/zinc/89/91/91/385899191.db2.gz IMCNCUQGUFPXLS-UHFFFAOYSA-N 1 2 209.253 0.353 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ccn(C)n1 ZINC000285202867 385906224 /nfs/dbraw/zinc/90/62/24/385906224.db2.gz WRNMKNGSUMLUTO-UHFFFAOYSA-N 1 2 224.308 0.189 20 0 BCADLO Cc1nocc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000294868740 385907679 /nfs/dbraw/zinc/90/76/79/385907679.db2.gz JYCLMJIUHNOXPL-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1nocc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000294868740 385907680 /nfs/dbraw/zinc/90/76/80/385907680.db2.gz JYCLMJIUHNOXPL-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO CC(C)(C(=O)NCC1CC1)[NH+]1CCOCC1 ZINC000338156256 385908790 /nfs/dbraw/zinc/90/87/90/385908790.db2.gz MXGANVAXWWPAPG-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000285250329 385909210 /nfs/dbraw/zinc/90/92/10/385909210.db2.gz YZYVDGMLMHUVRA-GFCCVEGCSA-N 1 2 247.298 0.967 20 0 BCADLO Cc1nc(N2CCN3C(=O)N(C)C[C@@H]3C2)cc[nH+]1 ZINC000365978591 385911135 /nfs/dbraw/zinc/91/11/35/385911135.db2.gz VMMGOPBRSSLTBE-SNVBAGLBSA-N 1 2 247.302 0.341 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCOC1 ZINC000272581778 385914677 /nfs/dbraw/zinc/91/46/77/385914677.db2.gz AYVONNQQQNJDQO-GFCCVEGCSA-N 1 2 237.303 0.816 20 0 BCADLO CC(C)N1CCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000272592670 385915470 /nfs/dbraw/zinc/91/54/70/385915470.db2.gz PQFQGAFXKNXQRS-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000123876104 385919099 /nfs/dbraw/zinc/91/90/99/385919099.db2.gz GFHPIZVNUJTILI-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000123876104 385919103 /nfs/dbraw/zinc/91/91/03/385919103.db2.gz GFHPIZVNUJTILI-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO CCSCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000122470622 385922344 /nfs/dbraw/zinc/92/23/44/385922344.db2.gz KAWQTHLINXTGGI-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO CCSCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000122470622 385922350 /nfs/dbraw/zinc/92/23/50/385922350.db2.gz KAWQTHLINXTGGI-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094915 385924024 /nfs/dbraw/zinc/92/40/24/385924024.db2.gz HCIYIOHLDLFZMZ-IEBDPFPHSA-N 1 2 224.304 0.517 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094915 385924029 /nfs/dbraw/zinc/92/40/29/385924029.db2.gz HCIYIOHLDLFZMZ-IEBDPFPHSA-N 1 2 224.304 0.517 20 0 BCADLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC1 ZINC000335036490 385925411 /nfs/dbraw/zinc/92/54/11/385925411.db2.gz FWLKPKDYNFJIRT-QMMMGPOBSA-N 1 2 233.262 0.647 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000123899271 385926069 /nfs/dbraw/zinc/92/60/69/385926069.db2.gz OYBXSEPUYIJKKX-NSHDSACASA-N 1 2 239.323 0.601 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000123899271 385926073 /nfs/dbraw/zinc/92/60/73/385926073.db2.gz OYBXSEPUYIJKKX-NSHDSACASA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)N(c2cccc[nH+]2)C1 ZINC000284439475 385869375 /nfs/dbraw/zinc/86/93/75/385869375.db2.gz FJRKXEGFBDYYBP-IUCAKERBSA-N 1 2 221.260 0.161 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C1CC1 ZINC000284489542 385872850 /nfs/dbraw/zinc/87/28/50/385872850.db2.gz UJBKOHJYBLOOLA-HMDXOVGESA-N 1 2 221.260 0.310 20 0 BCADLO Cc1cnccc1C[N@@H+](C)CC(=O)N(C)C ZINC000294610248 385874628 /nfs/dbraw/zinc/87/46/28/385874628.db2.gz WEBCVLTXENDUJH-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1cnccc1C[N@H+](C)CC(=O)N(C)C ZINC000294610248 385874630 /nfs/dbraw/zinc/87/46/30/385874630.db2.gz WEBCVLTXENDUJH-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO CO[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000294637742 385876589 /nfs/dbraw/zinc/87/65/89/385876589.db2.gz QUHOMAHVHKJUEP-JTQLQIEISA-N 1 2 223.276 0.873 20 0 BCADLO CO[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000294637743 385877721 /nfs/dbraw/zinc/87/77/21/385877721.db2.gz QUHOMAHVHKJUEP-SNVBAGLBSA-N 1 2 223.276 0.873 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C)c1ccncc1F ZINC000338357241 385976636 /nfs/dbraw/zinc/97/66/36/385976636.db2.gz OFIKPPPJXHKHOW-SSDOTTSWSA-N 1 2 236.254 0.595 20 0 BCADLO c1cc(C[NH2+]CCc2cnccn2)[nH]n1 ZINC000336769549 385981845 /nfs/dbraw/zinc/98/18/45/385981845.db2.gz VSSMDABXSQMWJK-UHFFFAOYSA-N 1 2 203.249 0.532 20 0 BCADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ncn(C)n1 ZINC000336769510 385982043 /nfs/dbraw/zinc/98/20/43/385982043.db2.gz VQFGYYOAAZBADX-YIZRAAEISA-N 1 2 210.281 0.643 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnnn1C1CC1 ZINC000128416525 385983403 /nfs/dbraw/zinc/98/34/03/385983403.db2.gz CWBWKACBRWYGEP-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000128416525 385983422 /nfs/dbraw/zinc/98/34/22/385983422.db2.gz CWBWKACBRWYGEP-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCCSC)CCOC1 ZINC000336748399 385983947 /nfs/dbraw/zinc/98/39/47/385983947.db2.gz CMVPPTLRHAGILF-SNVBAGLBSA-N 1 2 233.333 0.661 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1CCC1 ZINC000286054347 385991860 /nfs/dbraw/zinc/99/18/60/385991860.db2.gz UORJHQQXJWRLMA-JTQLQIEISA-N 1 2 248.286 0.673 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1CCC1 ZINC000286054347 385991867 /nfs/dbraw/zinc/99/18/67/385991867.db2.gz UORJHQQXJWRLMA-JTQLQIEISA-N 1 2 248.286 0.673 20 0 BCADLO COC[C@H](O)C[NH+]1CC(O)(c2ccccc2)C1 ZINC000285505961 385934521 /nfs/dbraw/zinc/93/45/21/385934521.db2.gz DDLHJLQSUCZXGM-GFCCVEGCSA-N 1 2 237.299 0.197 20 0 BCADLO CC1(C(=O)NCCCn2cc[nH+]c2)COC1 ZINC000272848346 385942353 /nfs/dbraw/zinc/94/23/53/385942353.db2.gz PUAJNTZOLPHLJB-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425396726 385945018 /nfs/dbraw/zinc/94/50/18/385945018.db2.gz QDIPUHUXMBHANX-LURJTMIESA-N 1 2 233.218 0.964 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425396726 385945023 /nfs/dbraw/zinc/94/50/23/385945023.db2.gz QDIPUHUXMBHANX-LURJTMIESA-N 1 2 233.218 0.964 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338280604 385946556 /nfs/dbraw/zinc/94/65/56/385946556.db2.gz HSLWQSSQDUXFNZ-WPRPVWTQSA-N 1 2 213.277 0.047 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338280604 385946565 /nfs/dbraw/zinc/94/65/65/385946565.db2.gz HSLWQSSQDUXFNZ-WPRPVWTQSA-N 1 2 213.277 0.047 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](OC)C1CC1 ZINC000425398318 385946717 /nfs/dbraw/zinc/94/67/17/385946717.db2.gz UHIWUKVJTMNRHR-SECBINFHSA-N 1 2 215.293 0.953 20 0 BCADLO CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000338308051 385955996 /nfs/dbraw/zinc/95/59/96/385955996.db2.gz BLOHTWRATYQDMS-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO CN(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000335058888 385961558 /nfs/dbraw/zinc/96/15/58/385961558.db2.gz JORFAZKIMGEGRM-ZETCQYMHSA-N 1 2 221.251 0.502 20 0 BCADLO COC1(C)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000342219243 385963909 /nfs/dbraw/zinc/96/39/09/385963909.db2.gz GDMRTZPJJWVUJD-UHFFFAOYSA-N 1 2 238.291 0.313 20 0 BCADLO COc1ccc(C[N@H+](C)Cc2cnccn2)nn1 ZINC000338313029 385964313 /nfs/dbraw/zinc/96/43/13/385964313.db2.gz GVXRFTWMAIWVAK-UHFFFAOYSA-N 1 2 245.286 0.907 20 0 BCADLO COc1ccc(C[N@@H+](C)Cc2cnccn2)nn1 ZINC000338313029 385964320 /nfs/dbraw/zinc/96/43/20/385964320.db2.gz GVXRFTWMAIWVAK-UHFFFAOYSA-N 1 2 245.286 0.907 20 0 BCADLO OCC[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425400712 385964616 /nfs/dbraw/zinc/96/46/16/385964616.db2.gz DEGXOFHQPZIUJW-UHFFFAOYSA-N 1 2 233.218 0.964 20 0 BCADLO OCC[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425400712 385964625 /nfs/dbraw/zinc/96/46/25/385964625.db2.gz DEGXOFHQPZIUJW-UHFFFAOYSA-N 1 2 233.218 0.964 20 0 BCADLO COC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000273067318 385966259 /nfs/dbraw/zinc/96/62/59/385966259.db2.gz YRJIUHAWVYFPHZ-UHFFFAOYSA-N 1 2 209.249 0.595 20 0 BCADLO O=C1C[N@H+](CCc2c[nH]nn2)[C@H]2CCCC[C@H]2N1 ZINC000647966692 385974216 /nfs/dbraw/zinc/97/42/16/385974216.db2.gz FAPKGSCGNMSOIP-MNOVXSKESA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2c[nH]nn2)[C@H]2CCCC[C@H]2N1 ZINC000647966692 385974223 /nfs/dbraw/zinc/97/42/23/385974223.db2.gz FAPKGSCGNMSOIP-MNOVXSKESA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@H+](CCc2cn[nH]n2)[C@H]2CCCC[C@H]2N1 ZINC000647966692 385974227 /nfs/dbraw/zinc/97/42/27/385974227.db2.gz FAPKGSCGNMSOIP-MNOVXSKESA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2cn[nH]n2)[C@H]2CCCC[C@H]2N1 ZINC000647966692 385974236 /nfs/dbraw/zinc/97/42/36/385974236.db2.gz FAPKGSCGNMSOIP-MNOVXSKESA-N 1 2 249.318 0.090 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340221828 386000409 /nfs/dbraw/zinc/00/04/09/386000409.db2.gz RIRSJPVKRXSQCR-DTWKUNHWSA-N 1 2 241.335 0.110 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340221828 386000416 /nfs/dbraw/zinc/00/04/16/386000416.db2.gz RIRSJPVKRXSQCR-DTWKUNHWSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@](C)(O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189385909 386001442 /nfs/dbraw/zinc/00/14/42/386001442.db2.gz KRAWNWHJZOPALV-NEPJUHHUSA-N 1 2 230.352 0.146 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000345063735 386002736 /nfs/dbraw/zinc/00/27/36/386002736.db2.gz ZLQXRHHIFZDMDH-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000340222352 386002785 /nfs/dbraw/zinc/00/27/85/386002785.db2.gz NARKGGZFBZZLJL-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000340222352 386002789 /nfs/dbraw/zinc/00/27/89/386002789.db2.gz NARKGGZFBZZLJL-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO CO[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000286210050 386008622 /nfs/dbraw/zinc/00/86/22/386008622.db2.gz BEDRXWQLILYAGE-SECBINFHSA-N 1 2 211.265 0.376 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)[C@H]1CCNC1=O ZINC000340223410 386009582 /nfs/dbraw/zinc/00/95/82/386009582.db2.gz REPNAVKARRAQIR-JTQLQIEISA-N 1 2 236.319 0.784 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cncnc1 ZINC000273585650 386013667 /nfs/dbraw/zinc/01/36/67/386013667.db2.gz BQKRAUSLUYBRFM-VIFPVBQESA-N 1 2 231.259 0.492 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cncnc1 ZINC000273585646 386015602 /nfs/dbraw/zinc/01/56/02/386015602.db2.gz BQKRAUSLUYBRFM-SECBINFHSA-N 1 2 231.259 0.492 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338584333 386056379 /nfs/dbraw/zinc/05/63/79/386056379.db2.gz BKSFIVJQBWWAAO-LBPRGKRZSA-N 1 2 244.310 0.261 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338584333 386056389 /nfs/dbraw/zinc/05/63/89/386056389.db2.gz BKSFIVJQBWWAAO-LBPRGKRZSA-N 1 2 244.310 0.261 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+](C)CCO ZINC000189525759 386022550 /nfs/dbraw/zinc/02/25/50/386022550.db2.gz MYJBBBWWKXMJFI-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+](C)CCO ZINC000189525759 386022556 /nfs/dbraw/zinc/02/25/56/386022556.db2.gz MYJBBBWWKXMJFI-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](C)CCCO)c[nH+]1 ZINC000295394903 386026259 /nfs/dbraw/zinc/02/62/59/386026259.db2.gz JKAFEVVUBNPZTG-QMMMGPOBSA-N 1 2 225.292 0.857 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000340226667 386029017 /nfs/dbraw/zinc/02/90/17/386029017.db2.gz SDPNXYKHDOTASD-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000340226667 386029020 /nfs/dbraw/zinc/02/90/20/386029020.db2.gz SDPNXYKHDOTASD-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000425428600 386031711 /nfs/dbraw/zinc/03/17/11/386031711.db2.gz XGBWHUXWNGXNBZ-SECBINFHSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000425428600 386031713 /nfs/dbraw/zinc/03/17/13/386031713.db2.gz XGBWHUXWNGXNBZ-SECBINFHSA-N 1 2 210.281 0.662 20 0 BCADLO CN(CCC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000286385985 386032613 /nfs/dbraw/zinc/03/26/13/386032613.db2.gz MGIZREGXAWZHNB-UHFFFAOYSA-N 1 2 220.276 0.666 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000334428504 386037320 /nfs/dbraw/zinc/03/73/20/386037320.db2.gz SNNIXNRTPBKWJF-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)C2CC(O)C2)n1 ZINC000353494071 386040915 /nfs/dbraw/zinc/04/09/15/386040915.db2.gz XSQPAOFCEFKBLX-UHFFFAOYSA-N 1 2 237.303 0.700 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)C2CC(O)C2)n1 ZINC000353494071 386040922 /nfs/dbraw/zinc/04/09/22/386040922.db2.gz XSQPAOFCEFKBLX-UHFFFAOYSA-N 1 2 237.303 0.700 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCCOCC1)C(=O)OC ZINC000336771540 386047998 /nfs/dbraw/zinc/04/79/98/386047998.db2.gz UPKJFGBRRAMHKX-UWVGGRQHSA-N 1 2 231.292 0.333 20 0 BCADLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000189661650 386055139 /nfs/dbraw/zinc/05/51/39/386055139.db2.gz SNXURCJUFSFPSC-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000189661650 386055143 /nfs/dbraw/zinc/05/51/43/386055143.db2.gz SNXURCJUFSFPSC-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(F)C1 ZINC000334455171 386105534 /nfs/dbraw/zinc/10/55/34/386105534.db2.gz NUBNRMQJQFXEQK-RCOVLWMOSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(F)C1 ZINC000334455171 386105537 /nfs/dbraw/zinc/10/55/37/386105537.db2.gz NUBNRMQJQFXEQK-RCOVLWMOSA-N 1 2 217.244 0.004 20 0 BCADLO COC[C@](C)([NH2+]CCCCF)C(=O)OC ZINC000336773284 386110271 /nfs/dbraw/zinc/11/02/71/386110271.db2.gz YMCHNKBRFATQDD-JTQLQIEISA-N 1 2 221.272 0.904 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccn(C)n1 ZINC000274489396 386111795 /nfs/dbraw/zinc/11/17/95/386111795.db2.gz SHVUDXPZHKEZGW-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccn(C)n1 ZINC000274489396 386111799 /nfs/dbraw/zinc/11/17/99/386111799.db2.gz SHVUDXPZHKEZGW-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCC(F)(F)C1 ZINC000345825783 386113984 /nfs/dbraw/zinc/11/39/84/386113984.db2.gz DTTUBCKTARJWKL-VIFPVBQESA-N 1 2 231.246 0.585 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCC(F)(F)C1 ZINC000345825783 386113987 /nfs/dbraw/zinc/11/39/87/386113987.db2.gz DTTUBCKTARJWKL-VIFPVBQESA-N 1 2 231.246 0.585 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1CCC(F)(F)C1 ZINC000345825782 386115619 /nfs/dbraw/zinc/11/56/19/386115619.db2.gz DTTUBCKTARJWKL-SECBINFHSA-N 1 2 231.246 0.585 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1CCC(F)(F)C1 ZINC000345825782 386115623 /nfs/dbraw/zinc/11/56/23/386115623.db2.gz DTTUBCKTARJWKL-SECBINFHSA-N 1 2 231.246 0.585 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000345827937 386116592 /nfs/dbraw/zinc/11/65/92/386116592.db2.gz SKTRORUTCSSWOB-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CCNC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000345827937 386116593 /nfs/dbraw/zinc/11/65/93/386116593.db2.gz SKTRORUTCSSWOB-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)CC[C@H](C)O ZINC000286637522 386061935 /nfs/dbraw/zinc/06/19/35/386061935.db2.gz ZPXFTSCNOBTKLH-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)CC[C@H](C)O ZINC000286637522 386061945 /nfs/dbraw/zinc/06/19/45/386061945.db2.gz ZPXFTSCNOBTKLH-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587552 386063375 /nfs/dbraw/zinc/06/33/75/386063375.db2.gz KHPJIEYIFIJQGU-NSHDSACASA-N 1 2 232.299 0.260 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587552 386063381 /nfs/dbraw/zinc/06/33/81/386063381.db2.gz KHPJIEYIFIJQGU-NSHDSACASA-N 1 2 232.299 0.260 20 0 BCADLO COc1ncccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338591128 386067329 /nfs/dbraw/zinc/06/73/29/386067329.db2.gz AUJAXSXRTSDSLW-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ncccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338591128 386067339 /nfs/dbraw/zinc/06/73/39/386067339.db2.gz AUJAXSXRTSDSLW-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587363 386071534 /nfs/dbraw/zinc/07/15/34/386071534.db2.gz JTMDYZAGRFODIF-NSHDSACASA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587363 386071537 /nfs/dbraw/zinc/07/15/37/386071537.db2.gz JTMDYZAGRFODIF-NSHDSACASA-N 1 2 232.299 0.307 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338586333 386072417 /nfs/dbraw/zinc/07/24/17/386072417.db2.gz ARGOHICQETYCQA-LLVKDONJSA-N 1 2 232.299 0.261 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338586333 386072424 /nfs/dbraw/zinc/07/24/24/386072424.db2.gz ARGOHICQETYCQA-LLVKDONJSA-N 1 2 232.299 0.261 20 0 BCADLO C[C@@H](CNC(=O)c1cncnc1)Cn1cc[nH+]c1 ZINC000274187630 386081391 /nfs/dbraw/zinc/08/13/91/386081391.db2.gz JRHVFFQEGCOMRH-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2ncc(C)s2)C1 ZINC000295783002 386084423 /nfs/dbraw/zinc/08/44/23/386084423.db2.gz ROUQDVDHKMJEFB-UHFFFAOYSA-N 1 2 241.316 0.992 20 0 BCADLO O=C(CO)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000345259284 386084592 /nfs/dbraw/zinc/08/45/92/386084592.db2.gz LYMBKKISSGGUCW-UHFFFAOYSA-N 1 2 245.282 0.540 20 0 BCADLO CCn1cc[nH+]c1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000334448228 386094610 /nfs/dbraw/zinc/09/46/10/386094610.db2.gz NQFNZOHTTWWHGK-LLVKDONJSA-N 1 2 248.330 0.710 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000425453461 386094811 /nfs/dbraw/zinc/09/48/11/386094811.db2.gz ZAVHRNYVJCIZCE-DTWKUNHWSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000425453461 386094815 /nfs/dbraw/zinc/09/48/15/386094815.db2.gz ZAVHRNYVJCIZCE-DTWKUNHWSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1OCCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408331512 386098034 /nfs/dbraw/zinc/09/80/34/386098034.db2.gz NVCQQEUXLZMMPZ-DTWKUNHWSA-N 1 2 236.271 0.963 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000334457907 386098436 /nfs/dbraw/zinc/09/84/36/386098436.db2.gz QDPBZZSCOONOGG-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000334457907 386098440 /nfs/dbraw/zinc/09/84/40/386098440.db2.gz QDPBZZSCOONOGG-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO CCC[C@@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000287760546 386145385 /nfs/dbraw/zinc/14/53/85/386145385.db2.gz HHTLKLKTFVTJPW-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO CNS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000296202064 386147440 /nfs/dbraw/zinc/14/74/40/386147440.db2.gz WBRQORLBWIWBLE-ZETCQYMHSA-N 1 2 232.309 0.161 20 0 BCADLO Cc1occc1C[NH+]1CCN(CCO)CC1 ZINC000414363570 386148518 /nfs/dbraw/zinc/14/85/18/386148518.db2.gz GUJZBMDUNJHPAU-UHFFFAOYSA-N 1 2 224.304 0.698 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237514547 259683516 /nfs/dbraw/zinc/68/35/16/259683516.db2.gz MFXCHQNTKBZJMJ-LURJTMIESA-N 1 2 222.248 0.127 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC(F)(F)CO ZINC000287892324 386152583 /nfs/dbraw/zinc/15/25/83/386152583.db2.gz OEHQPPWZGASMIK-UHFFFAOYSA-N 1 2 233.218 0.086 20 0 BCADLO CCONC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366164985 386153910 /nfs/dbraw/zinc/15/39/10/386153910.db2.gz XPIBULCJBBOFIZ-SNVBAGLBSA-N 1 2 243.307 0.100 20 0 BCADLO CCONC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366164985 386153916 /nfs/dbraw/zinc/15/39/16/386153916.db2.gz XPIBULCJBBOFIZ-SNVBAGLBSA-N 1 2 243.307 0.100 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424892762 386160194 /nfs/dbraw/zinc/16/01/94/386160194.db2.gz LWVNGOPVWYXCQO-XNDJQWLSSA-N 1 2 242.294 0.276 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424892762 386160199 /nfs/dbraw/zinc/16/01/99/386160199.db2.gz LWVNGOPVWYXCQO-XNDJQWLSSA-N 1 2 242.294 0.276 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@](C)(O)C1CC1 ZINC000288062302 386163043 /nfs/dbraw/zinc/16/30/43/386163043.db2.gz UXLFQZBTJAGJNA-NSHDSACASA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@](C)(O)C1CC1 ZINC000288062293 386164417 /nfs/dbraw/zinc/16/44/17/386164417.db2.gz UXLFQZBTJAGJNA-LLVKDONJSA-N 1 2 223.276 0.495 20 0 BCADLO O=C(CCn1cc[nH+]c1)NO[C@@H]1CCCCO1 ZINC000263831723 386179309 /nfs/dbraw/zinc/17/93/09/386179309.db2.gz UOPFVCHBAYSMQS-LLVKDONJSA-N 1 2 239.275 0.848 20 0 BCADLO O=C(CCn1cc[nH+]c1)NO[C@H]1CCCCO1 ZINC000263831725 386180408 /nfs/dbraw/zinc/18/04/08/386180408.db2.gz UOPFVCHBAYSMQS-NSHDSACASA-N 1 2 239.275 0.848 20 0 BCADLO CC[NH+](CC)CC(=O)Nc1n[nH]c(SC)n1 ZINC000263860802 386186148 /nfs/dbraw/zinc/18/61/48/386186148.db2.gz HUCPHRSDLHOUNS-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO CC[NH+](CC)CC(=O)Nc1nc(SC)n[nH]1 ZINC000263860802 386186152 /nfs/dbraw/zinc/18/61/52/386186152.db2.gz HUCPHRSDLHOUNS-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NS(C)(=O)=O)C2 ZINC000365591919 386187171 /nfs/dbraw/zinc/18/71/71/386187171.db2.gz FZMQMSPQNWJSAM-MRVPVSSYSA-N 1 2 229.305 0.056 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000274614228 386129753 /nfs/dbraw/zinc/12/97/53/386129753.db2.gz OGAXUWAXQGIBDA-CDAZIORVSA-N 1 2 223.276 0.775 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000274614230 386130221 /nfs/dbraw/zinc/13/02/21/386130221.db2.gz OGAXUWAXQGIBDA-NWALNABHSA-N 1 2 223.276 0.775 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CCO1 ZINC000334470199 386141117 /nfs/dbraw/zinc/14/11/17/386141117.db2.gz FICSKSVYCHFPSZ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CCO1 ZINC000334470199 386141122 /nfs/dbraw/zinc/14/11/22/386141122.db2.gz FICSKSVYCHFPSZ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](C)OC2=O)c[nH+]1 ZINC000288451866 386201250 /nfs/dbraw/zinc/20/12/50/386201250.db2.gz FUNIJMGLHWRMDY-FSPLSTOPSA-N 1 2 223.232 0.152 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264004423 386202166 /nfs/dbraw/zinc/20/21/66/386202166.db2.gz SFFWVJKRLOOJBP-QMMMGPOBSA-N 1 2 234.259 0.998 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989657 386208887 /nfs/dbraw/zinc/20/88/87/386208887.db2.gz HYBBRTSBKMSZKG-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000097989657 386208892 /nfs/dbraw/zinc/20/88/92/386208892.db2.gz HYBBRTSBKMSZKG-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO Cc1nc(N2CCCOCC2)nc(N(C)C)[nH+]1 ZINC000408357540 386210513 /nfs/dbraw/zinc/21/05/13/386210513.db2.gz KYGWQXZIWSYCDY-UHFFFAOYSA-N 1 2 237.307 0.473 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCCOCC2)[nH+]1 ZINC000408357540 386210517 /nfs/dbraw/zinc/21/05/17/386210517.db2.gz KYGWQXZIWSYCDY-UHFFFAOYSA-N 1 2 237.307 0.473 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000339017491 386212183 /nfs/dbraw/zinc/21/21/83/386212183.db2.gz SPUDZQBFCHUWNF-JTQLQIEISA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000339017491 386212187 /nfs/dbraw/zinc/21/21/87/386212187.db2.gz SPUDZQBFCHUWNF-JTQLQIEISA-N 1 2 213.277 0.803 20 0 BCADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000347063113 386212543 /nfs/dbraw/zinc/21/25/43/386212543.db2.gz WPAOVAKZMPJKIL-DTWKUNHWSA-N 1 2 210.281 0.597 20 0 BCADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000347063113 386212548 /nfs/dbraw/zinc/21/25/48/386212548.db2.gz WPAOVAKZMPJKIL-DTWKUNHWSA-N 1 2 210.281 0.597 20 0 BCADLO CCOCCNC(=O)NCc1[nH+]ccn1C ZINC000264184599 386215979 /nfs/dbraw/zinc/21/59/79/386215979.db2.gz NPVAQNBNMUPDTR-UHFFFAOYSA-N 1 2 226.280 0.256 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccnn1C ZINC000264185939 386216131 /nfs/dbraw/zinc/21/61/31/386216131.db2.gz ACPLLVNYESLWIF-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347024420 386216771 /nfs/dbraw/zinc/21/67/71/386216771.db2.gz RAZYDTRIBLLRAB-RKDXNWHRSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347024420 386216776 /nfs/dbraw/zinc/21/67/76/386216776.db2.gz RAZYDTRIBLLRAB-RKDXNWHRSA-N 1 2 239.323 0.364 20 0 BCADLO COC[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000264227834 386218223 /nfs/dbraw/zinc/21/82/23/386218223.db2.gz VIOMHOMHNVXINP-SECBINFHSA-N 1 2 240.307 0.502 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000347027977 386219604 /nfs/dbraw/zinc/21/96/04/386219604.db2.gz VMDDWYHMOTVBHG-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000347027977 386219606 /nfs/dbraw/zinc/21/96/06/386219606.db2.gz VMDDWYHMOTVBHG-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347027978 386219754 /nfs/dbraw/zinc/21/97/54/386219754.db2.gz VMDDWYHMOTVBHG-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347027978 386219761 /nfs/dbraw/zinc/21/97/61/386219761.db2.gz VMDDWYHMOTVBHG-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCOC1 ZINC000264345509 386228831 /nfs/dbraw/zinc/22/88/31/386228831.db2.gz DFCHKORNAOWKNK-VIFPVBQESA-N 1 2 238.291 0.398 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1cnnn1C ZINC000288747255 386230303 /nfs/dbraw/zinc/23/03/03/386230303.db2.gz GTMADUQSIMJRDN-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)CC1(O)CCCC1 ZINC000340294008 386232004 /nfs/dbraw/zinc/23/20/04/386232004.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)CC1(O)CCCC1 ZINC000340294008 386232010 /nfs/dbraw/zinc/23/20/10/386232010.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)CC1(O)CCCC1 ZINC000340294008 386232014 /nfs/dbraw/zinc/23/20/14/386232014.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)CC1(O)CCCC1 ZINC000340294008 386232020 /nfs/dbraw/zinc/23/20/20/386232020.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)CC1(O)CCCC1 ZINC000340294008 386232024 /nfs/dbraw/zinc/23/20/24/386232024.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)CC1(O)CCCC1 ZINC000340294008 386232026 /nfs/dbraw/zinc/23/20/26/386232026.db2.gz ZIRUXLCGYCZTDP-UHFFFAOYSA-N 1 2 210.281 0.542 20 0 BCADLO COC(=O)C[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000367805097 386232950 /nfs/dbraw/zinc/23/29/50/386232950.db2.gz MGOXELZPBNDMCW-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000367805097 386232957 /nfs/dbraw/zinc/23/29/57/386232957.db2.gz MGOXELZPBNDMCW-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000264448458 386236892 /nfs/dbraw/zinc/23/68/92/386236892.db2.gz RULJRZINOWSMNK-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000336643146 386247075 /nfs/dbraw/zinc/24/70/75/386247075.db2.gz BRYMUBNSPFDLOH-SNVBAGLBSA-N 1 2 209.293 0.988 20 0 BCADLO Cc1ccnc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000336643146 386247081 /nfs/dbraw/zinc/24/70/81/386247081.db2.gz BRYMUBNSPFDLOH-SNVBAGLBSA-N 1 2 209.293 0.988 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000339129319 386253646 /nfs/dbraw/zinc/25/36/46/386253646.db2.gz UFQCQNUFSGUUSP-DTWKUNHWSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000339129319 386253650 /nfs/dbraw/zinc/25/36/50/386253650.db2.gz UFQCQNUFSGUUSP-DTWKUNHWSA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@H+](Cc1cnccc1OC)[C@H]1CCNC1=O ZINC000347172131 386261196 /nfs/dbraw/zinc/26/11/96/386261196.db2.gz ABMINDQEWZDSNF-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cnccc1OC)[C@H]1CCNC1=O ZINC000347172131 386261199 /nfs/dbraw/zinc/26/11/99/386261199.db2.gz ABMINDQEWZDSNF-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H](O)C2)nc1 ZINC000336646282 386255518 /nfs/dbraw/zinc/25/55/18/386255518.db2.gz KCESIQFHJNDGHG-JTQLQIEISA-N 1 2 207.277 0.742 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H](O)C2)nc1 ZINC000336646282 386255521 /nfs/dbraw/zinc/25/55/21/386255521.db2.gz KCESIQFHJNDGHG-JTQLQIEISA-N 1 2 207.277 0.742 20 0 BCADLO C[C@@H](CO)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000347193615 386258507 /nfs/dbraw/zinc/25/85/07/386258507.db2.gz JHZVBNMMCLUBHB-QMMMGPOBSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@@H](CO)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000347193615 386258510 /nfs/dbraw/zinc/25/85/10/386258510.db2.gz JHZVBNMMCLUBHB-QMMMGPOBSA-N 1 2 240.307 0.636 20 0 BCADLO COCC[N@H+](C)Cc1cncnc1OC ZINC000648000923 386195331 /nfs/dbraw/zinc/19/53/31/386195331.db2.gz LFINPMDOWRXTMS-UHFFFAOYSA-N 1 2 211.265 0.563 20 0 BCADLO COCC[N@@H+](C)Cc1cncnc1OC ZINC000648000923 386195334 /nfs/dbraw/zinc/19/53/34/386195334.db2.gz LFINPMDOWRXTMS-UHFFFAOYSA-N 1 2 211.265 0.563 20 0 BCADLO CO[C@@](C)(CNc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000310539331 386195620 /nfs/dbraw/zinc/19/56/20/386195620.db2.gz QERKMRHAZCKQAB-NSHDSACASA-N 1 2 237.307 0.989 20 0 BCADLO CO[C@@](C)(CNc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000310539331 386195624 /nfs/dbraw/zinc/19/56/24/386195624.db2.gz QERKMRHAZCKQAB-NSHDSACASA-N 1 2 237.307 0.989 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000335351211 386196450 /nfs/dbraw/zinc/19/64/50/386196450.db2.gz CXKXOBMHGCYSHN-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000335351211 386196455 /nfs/dbraw/zinc/19/64/55/386196455.db2.gz CXKXOBMHGCYSHN-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCCC1)[C@H](C)O ZINC000191017361 386197902 /nfs/dbraw/zinc/19/79/02/386197902.db2.gz RZYFILYODBHBQE-CBAPKCEASA-N 1 2 201.266 0.441 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)no1 ZINC000275301966 386198750 /nfs/dbraw/zinc/19/87/50/386198750.db2.gz YWTAFXZNXMOOGD-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCSCC1)[C@H](C)O ZINC000191024085 386199348 /nfs/dbraw/zinc/19/93/48/386199348.db2.gz UUMWTEQIVXUKKI-IONNQARKSA-N 1 2 233.333 0.394 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347202375 386282348 /nfs/dbraw/zinc/28/23/48/386282348.db2.gz FAERAPQYZSEYAP-UWVGGRQHSA-N 1 2 238.335 0.969 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347202375 386282351 /nfs/dbraw/zinc/28/23/51/386282351.db2.gz FAERAPQYZSEYAP-UWVGGRQHSA-N 1 2 238.335 0.969 20 0 BCADLO C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000339187562 386282707 /nfs/dbraw/zinc/28/27/07/386282707.db2.gz DRMYIZVTYUGESD-DGCLKSJQSA-N 1 2 248.326 0.758 20 0 BCADLO C[C@@H](O)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000339187562 386282710 /nfs/dbraw/zinc/28/27/10/386282710.db2.gz DRMYIZVTYUGESD-DGCLKSJQSA-N 1 2 248.326 0.758 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)Cn2cncn2)c[nH+]1 ZINC000264912427 386284267 /nfs/dbraw/zinc/28/42/67/386284267.db2.gz ZPWSDNJHHVKQJX-SSDOTTSWSA-N 1 2 234.263 0.128 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cnn(C)n1 ZINC000289353726 386288175 /nfs/dbraw/zinc/28/81/75/386288175.db2.gz LOMAMGGXWLQCMJ-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cnn(C)n1 ZINC000289353726 386288179 /nfs/dbraw/zinc/28/81/79/386288179.db2.gz LOMAMGGXWLQCMJ-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000289362021 386289491 /nfs/dbraw/zinc/28/94/91/386289491.db2.gz AISKGGQJUVKNPB-SECBINFHSA-N 1 2 240.303 0.727 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000289362021 386289498 /nfs/dbraw/zinc/28/94/98/386289498.db2.gz AISKGGQJUVKNPB-SECBINFHSA-N 1 2 240.303 0.727 20 0 BCADLO Cc1ccnc(C[N@H+](C)CCOCCO)n1 ZINC000336665379 386291155 /nfs/dbraw/zinc/29/11/55/386291155.db2.gz HBWQXGMGXRHGJB-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CCOCCO)n1 ZINC000336665379 386291158 /nfs/dbraw/zinc/29/11/58/386291158.db2.gz HBWQXGMGXRHGJB-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO CO[C@H]1C[NH+](Cc2nccn2C)C[C@@H]1OC ZINC000336666958 386292110 /nfs/dbraw/zinc/29/21/10/386292110.db2.gz MERQBZVQHJJSQV-UWVGGRQHSA-N 1 2 225.292 0.266 20 0 BCADLO O=C1CCN(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000276272889 386293381 /nfs/dbraw/zinc/29/33/81/386293381.db2.gz RBNUVFOYWQYRRC-LBPRGKRZSA-N 1 2 248.330 0.999 20 0 BCADLO O=C1CCN(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000276272889 386293386 /nfs/dbraw/zinc/29/33/86/386293386.db2.gz RBNUVFOYWQYRRC-LBPRGKRZSA-N 1 2 248.330 0.999 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000336661341 386300223 /nfs/dbraw/zinc/30/02/23/386300223.db2.gz HBASMKFWZYPHNZ-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000336661341 386300227 /nfs/dbraw/zinc/30/02/27/386300227.db2.gz HBASMKFWZYPHNZ-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Cn1cccn1 ZINC000298163887 386303107 /nfs/dbraw/zinc/30/31/07/386303107.db2.gz OELGUJIDQMKEEN-UHFFFAOYSA-N 1 2 233.275 0.275 20 0 BCADLO CC(C)(O)C[NH+]1CC(OCC(F)F)C1 ZINC000336676393 386324904 /nfs/dbraw/zinc/32/49/04/386324904.db2.gz XKFINWACRKFHNF-UHFFFAOYSA-N 1 2 209.236 0.723 20 0 BCADLO CC(C)(C)c1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)no1 ZINC000289478250 386313343 /nfs/dbraw/zinc/31/33/43/386313343.db2.gz IBJKGJFYPIQBCK-UWVGGRQHSA-N 1 2 240.303 0.510 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2ncnn2C)[C@@H](C)C1 ZINC000336670740 386315339 /nfs/dbraw/zinc/31/53/39/386315339.db2.gz WILKKAGHXQYOKD-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2ncnn2C)[C@@H](C)C1 ZINC000336670740 386315344 /nfs/dbraw/zinc/31/53/44/386315344.db2.gz WILKKAGHXQYOKD-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1nc(CN2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000336678324 386318487 /nfs/dbraw/zinc/31/84/87/386318487.db2.gz OKOIHAAKBSCWNF-UHFFFAOYSA-N 1 2 223.324 0.639 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(OC)cn1 ZINC000276419137 386320060 /nfs/dbraw/zinc/32/00/60/386320060.db2.gz NPWPPOBMVPNFPI-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(OC)cn1 ZINC000276419137 386320063 /nfs/dbraw/zinc/32/00/63/386320063.db2.gz NPWPPOBMVPNFPI-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO C[C@@H](O)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265236076 386322559 /nfs/dbraw/zinc/32/25/59/386322559.db2.gz VTDIMTDWRVSVAZ-NXEZZACHSA-N 1 2 240.307 0.342 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCCNC2=O)c[nH+]1 ZINC000264736067 386266515 /nfs/dbraw/zinc/26/65/15/386266515.db2.gz QSVFWIWFESRMQW-MRVPVSSYSA-N 1 2 236.275 0.117 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000336652993 386268510 /nfs/dbraw/zinc/26/85/10/386268510.db2.gz XLJIGYRGWPIFQY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000336652993 386268513 /nfs/dbraw/zinc/26/85/13/386268513.db2.gz XLJIGYRGWPIFQY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ccnc1C[NH2+]CC(=O)NC(C)(C)C ZINC000057624806 386271116 /nfs/dbraw/zinc/27/11/16/386271116.db2.gz UOPLNCNOSLNMRJ-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)cnn1 ZINC000276078479 386271286 /nfs/dbraw/zinc/27/12/86/386271286.db2.gz NJLWWIRRMRERLD-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)[C@H]1C ZINC000416314280 386273126 /nfs/dbraw/zinc/27/31/26/386273126.db2.gz AVGLMGHNNMXWIT-RHYQMDGZSA-N 1 2 240.347 0.820 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)[C@H]1C ZINC000416314280 386273127 /nfs/dbraw/zinc/27/31/27/386273127.db2.gz AVGLMGHNNMXWIT-RHYQMDGZSA-N 1 2 240.347 0.820 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccnn2C)c[nH+]1 ZINC000264820804 386273517 /nfs/dbraw/zinc/27/35/17/386273517.db2.gz HKXZSPOYOPEWBN-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO C[C@H]1[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000416314278 386273808 /nfs/dbraw/zinc/27/38/08/386273808.db2.gz AVGLMGHNNMXWIT-KKOKHZNYSA-N 1 2 240.347 0.820 20 0 BCADLO C[C@H]1[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000416314278 386273810 /nfs/dbraw/zinc/27/38/10/386273810.db2.gz AVGLMGHNNMXWIT-KKOKHZNYSA-N 1 2 240.347 0.820 20 0 BCADLO Cc1noc(CCCNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000264844213 386276341 /nfs/dbraw/zinc/27/63/41/386276341.db2.gz LRNABBMTMYZYQR-UHFFFAOYSA-N 1 2 249.274 0.772 20 0 BCADLO Cc1cncc(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000276122085 386276503 /nfs/dbraw/zinc/27/65/03/386276503.db2.gz YYRFQEXLFHDRJU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cncc(C[N@H+]2CCn3cnnc3C2)c1 ZINC000276122085 386276506 /nfs/dbraw/zinc/27/65/06/386276506.db2.gz YYRFQEXLFHDRJU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2cnn(C)c2)c[nH+]1 ZINC000264860898 386279520 /nfs/dbraw/zinc/27/95/20/386279520.db2.gz PFZWECUTBYZZQX-UHFFFAOYSA-N 1 2 247.302 0.814 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336644702 386279951 /nfs/dbraw/zinc/27/99/51/386279951.db2.gz GYCYPFBCSRBYRO-KXUCPTDWSA-N 1 2 210.277 0.128 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336644702 386279952 /nfs/dbraw/zinc/27/99/52/386279952.db2.gz GYCYPFBCSRBYRO-KXUCPTDWSA-N 1 2 210.277 0.128 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccncc1 ZINC000339364189 386386293 /nfs/dbraw/zinc/38/62/93/386386293.db2.gz UALGKXMJJMSBQM-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccncc1 ZINC000339364189 386386297 /nfs/dbraw/zinc/38/62/97/386386297.db2.gz UALGKXMJJMSBQM-JTQLQIEISA-N 1 2 223.276 0.014 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)F ZINC000276551701 386343583 /nfs/dbraw/zinc/34/35/83/386343583.db2.gz HWUGXIBABLFJBX-OWOJBTEDSA-N 1 2 201.176 0.804 20 0 BCADLO CN(CCn1cccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276571180 386347311 /nfs/dbraw/zinc/34/73/11/386347311.db2.gz KLXOUNVQYLVZFB-ONEGZZNKSA-N 1 2 245.286 0.778 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1ccc(=O)[nH]c1 ZINC000265579938 386349449 /nfs/dbraw/zinc/34/94/49/386349449.db2.gz IVBQWEYTBQGXQX-UHFFFAOYSA-N 1 2 246.270 0.690 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347311112 386352358 /nfs/dbraw/zinc/35/23/58/386352358.db2.gz BBVVYOIZDMKGPO-XWRVAKJBSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347311112 386352367 /nfs/dbraw/zinc/35/23/67/386352367.db2.gz BBVVYOIZDMKGPO-XWRVAKJBSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347311110 386353307 /nfs/dbraw/zinc/35/33/07/386353307.db2.gz BBVVYOIZDMKGPO-UTEYVOQOSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347311110 386353312 /nfs/dbraw/zinc/35/33/12/386353312.db2.gz BBVVYOIZDMKGPO-UTEYVOQOSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347311109 386353959 /nfs/dbraw/zinc/35/39/59/386353959.db2.gz BBVVYOIZDMKGPO-QQXLSSBLSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347311109 386353962 /nfs/dbraw/zinc/35/39/62/386353962.db2.gz BBVVYOIZDMKGPO-QQXLSSBLSA-N 1 2 233.333 0.391 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cccnn2)c[nH+]1 ZINC000347311369 386354121 /nfs/dbraw/zinc/35/41/21/386354121.db2.gz MLNPKKQOUDIAQH-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CC(C)[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000298502799 386355143 /nfs/dbraw/zinc/35/51/43/386355143.db2.gz JRRLHELVRRAWBT-SECBINFHSA-N 1 2 236.275 0.460 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)on1 ZINC000265667637 386357210 /nfs/dbraw/zinc/35/72/10/386357210.db2.gz WCJFWVONCAXCIU-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)on1 ZINC000265667637 386357215 /nfs/dbraw/zinc/35/72/15/386357215.db2.gz WCJFWVONCAXCIU-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccncc1 ZINC000339364190 386386853 /nfs/dbraw/zinc/38/68/53/386386853.db2.gz UALGKXMJJMSBQM-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccncc1 ZINC000339364190 386386857 /nfs/dbraw/zinc/38/68/57/386386857.db2.gz UALGKXMJJMSBQM-SNVBAGLBSA-N 1 2 223.276 0.014 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347321573 386360860 /nfs/dbraw/zinc/36/08/60/386360860.db2.gz NNSXRTRUGHQCEB-LYGAQUJYSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347321573 386360864 /nfs/dbraw/zinc/36/08/64/386360864.db2.gz NNSXRTRUGHQCEB-LYGAQUJYSA-N 1 2 247.360 0.781 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366327038 386362127 /nfs/dbraw/zinc/36/21/27/386362127.db2.gz LFSVVYBTDDUSMV-WDEREUQCSA-N 1 2 207.277 0.665 20 0 BCADLO Cc1cnn(CC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366327038 386362132 /nfs/dbraw/zinc/36/21/32/386362132.db2.gz LFSVVYBTDDUSMV-WDEREUQCSA-N 1 2 207.277 0.665 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289845967 386363058 /nfs/dbraw/zinc/36/30/58/386363058.db2.gz KLEJGQCKVVCFDP-VXNVDRBHSA-N 1 2 242.710 0.657 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289845967 386363064 /nfs/dbraw/zinc/36/30/64/386363064.db2.gz KLEJGQCKVVCFDP-VXNVDRBHSA-N 1 2 242.710 0.657 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccccc1F ZINC000339363573 386387055 /nfs/dbraw/zinc/38/70/55/386387055.db2.gz TXMWVKFTGMGIAR-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1F ZINC000339363573 386387058 /nfs/dbraw/zinc/38/70/58/386387058.db2.gz TXMWVKFTGMGIAR-LLVKDONJSA-N 1 2 240.278 0.758 20 0 BCADLO C[C@@H](C(=O)N(C)C)N1CCc2[nH+]c[nH]c2C1 ZINC000647933704 386368902 /nfs/dbraw/zinc/36/89/02/386368902.db2.gz YTXSXCATCQSUDB-QMMMGPOBSA-N 1 2 222.292 0.245 20 0 BCADLO C[C@@H](CNC(=O)c1cnccn1)Cn1cc[nH+]c1 ZINC000265776979 386369695 /nfs/dbraw/zinc/36/96/95/386369695.db2.gz GASNBNUADBMRDG-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000289916785 386371785 /nfs/dbraw/zinc/37/17/85/386371785.db2.gz YGIGAKLAPMDPKJ-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C)cnn1C ZINC000289916785 386371789 /nfs/dbraw/zinc/37/17/89/386371789.db2.gz YGIGAKLAPMDPKJ-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000336695684 386373926 /nfs/dbraw/zinc/37/39/26/386373926.db2.gz JMHFBAKJBXBMDY-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000336695684 386373931 /nfs/dbraw/zinc/37/39/31/386373931.db2.gz JMHFBAKJBXBMDY-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H]1OC ZINC000276778000 386374660 /nfs/dbraw/zinc/37/46/60/386374660.db2.gz AFFLBUCVURSGDU-PHIMTYICSA-N 1 2 225.292 0.266 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H]1OC ZINC000276778000 386374668 /nfs/dbraw/zinc/37/46/68/386374668.db2.gz AFFLBUCVURSGDU-PHIMTYICSA-N 1 2 225.292 0.266 20 0 BCADLO Cc1cnn(CC[N@@H+](C)Cc2nncn2C)c1 ZINC000336695916 386375502 /nfs/dbraw/zinc/37/55/02/386375502.db2.gz IXOFDMYRSJPHIZ-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO Cc1cnn(CC[N@H+](C)Cc2nncn2C)c1 ZINC000336695916 386375505 /nfs/dbraw/zinc/37/55/05/386375505.db2.gz IXOFDMYRSJPHIZ-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO CO[C@H]1C[NH+](Cc2cc(C)n(C)n2)C[C@@H]1OC ZINC000336696240 386375797 /nfs/dbraw/zinc/37/57/97/386375797.db2.gz QNYBQSHTLSAPPT-RYUDHWBXSA-N 1 2 239.319 0.574 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000265820809 386376139 /nfs/dbraw/zinc/37/61/39/386376139.db2.gz KTZOFPZUODEBFJ-SNVBAGLBSA-N 1 2 214.265 0.504 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265820809 386376142 /nfs/dbraw/zinc/37/61/42/386376142.db2.gz KTZOFPZUODEBFJ-SNVBAGLBSA-N 1 2 214.265 0.504 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347384033 386377284 /nfs/dbraw/zinc/37/72/84/386377284.db2.gz WHUKQQKSZNFUHI-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347384033 386377290 /nfs/dbraw/zinc/37/72/90/386377290.db2.gz WHUKQQKSZNFUHI-JQWIXIFHSA-N 1 2 246.326 0.698 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3nc(=O)[nH][nH]3)C2)c1 ZINC000289952848 386377819 /nfs/dbraw/zinc/37/78/19/386377819.db2.gz QGTQSHVWDHFIPU-VIFPVBQESA-N 1 2 248.290 0.050 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nc(=O)[nH][nH]3)C2)c1 ZINC000289952848 386377824 /nfs/dbraw/zinc/37/78/24/386377824.db2.gz QGTQSHVWDHFIPU-VIFPVBQESA-N 1 2 248.290 0.050 20 0 BCADLO C[C@H](NC(=O)C[N@H+](C)CC(N)=O)c1ccccc1 ZINC000298741085 386378740 /nfs/dbraw/zinc/37/87/40/386378740.db2.gz XZSMRVKFLZEOLQ-JTQLQIEISA-N 1 2 249.314 0.281 20 0 BCADLO C[C@H](NC(=O)C[N@@H+](C)CC(N)=O)c1ccccc1 ZINC000298741085 386378747 /nfs/dbraw/zinc/37/87/47/386378747.db2.gz XZSMRVKFLZEOLQ-JTQLQIEISA-N 1 2 249.314 0.281 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000276816697 386380828 /nfs/dbraw/zinc/38/08/28/386380828.db2.gz CTWUGGRUBQEJAJ-DTWKUNHWSA-N 1 2 223.276 0.609 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cccc(F)c1 ZINC000339360534 386384822 /nfs/dbraw/zinc/38/48/22/386384822.db2.gz SLLRMGHJNWZSNY-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(F)c1 ZINC000339360534 386384826 /nfs/dbraw/zinc/38/48/26/386384826.db2.gz SLLRMGHJNWZSNY-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC1CCOCC1 ZINC000265321874 386328028 /nfs/dbraw/zinc/32/80/28/386328028.db2.gz VVAGNUAKZSQQJF-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000336677391 386328830 /nfs/dbraw/zinc/32/88/30/386328830.db2.gz NSYNKGZBXIULNE-VIFPVBQESA-N 1 2 223.280 0.229 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000336677391 386328834 /nfs/dbraw/zinc/32/88/34/386328834.db2.gz NSYNKGZBXIULNE-VIFPVBQESA-N 1 2 223.280 0.229 20 0 BCADLO C[C@@]1(F)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000347333067 386329954 /nfs/dbraw/zinc/32/99/54/386329954.db2.gz AMCLGYYYGPUVDL-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000347333067 386329960 /nfs/dbraw/zinc/32/99/60/386329960.db2.gz AMCLGYYYGPUVDL-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO Cn1ncc2c1nc(NC[C@@H](O)C1CC1)[nH+]c2N ZINC000276490822 386332239 /nfs/dbraw/zinc/33/22/39/386332239.db2.gz PWGXLKLYERPFNI-MRVPVSSYSA-N 1 2 248.290 0.128 20 0 BCADLO CN(C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1)C1CC1 ZINC000347337569 386332465 /nfs/dbraw/zinc/33/24/65/386332465.db2.gz LZVLLHOVXUHUEN-LBPRGKRZSA-N 1 2 244.310 0.404 20 0 BCADLO CN(C(=O)C[N@H+]1CCC[C@@](F)(CO)C1)C1CC1 ZINC000347337569 386332473 /nfs/dbraw/zinc/33/24/73/386332473.db2.gz LZVLLHOVXUHUEN-LBPRGKRZSA-N 1 2 244.310 0.404 20 0 BCADLO O=C1CNC(=O)N1CCCOc1cc[nH+]cc1 ZINC000276484145 386333379 /nfs/dbraw/zinc/33/33/79/386333379.db2.gz SKQMBKUVGKQBKL-UHFFFAOYSA-N 1 2 235.243 0.402 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347336962 386333554 /nfs/dbraw/zinc/33/35/54/386333554.db2.gz VWPIFIBXSICZBM-GFOPWETNSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347336962 386333561 /nfs/dbraw/zinc/33/35/61/386333561.db2.gz VWPIFIBXSICZBM-GFOPWETNSA-N 1 2 249.376 0.225 20 0 BCADLO CCn1cc[nH+]c1CNc1cc(=O)n(C)cn1 ZINC000563727978 386336466 /nfs/dbraw/zinc/33/64/66/386336466.db2.gz AOTDHBZMHURYJC-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO C[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276515377 386337564 /nfs/dbraw/zinc/33/75/64/386337564.db2.gz BVRCNHAUZZDPFM-UFUPEUMYSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000276512779 386338643 /nfs/dbraw/zinc/33/86/43/386338643.db2.gz KVJMEAROAPMKGQ-GMTAPVOTSA-N 1 2 237.303 0.673 20 0 BCADLO C/C=C(/CC)C(=O)NCC[NH+]1CCOCC1 ZINC000276521528 386338807 /nfs/dbraw/zinc/33/88/07/386338807.db2.gz ZWTJFNZKHTZPQM-JYOAFUTRSA-N 1 2 226.320 0.791 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000289651811 386339447 /nfs/dbraw/zinc/33/94/47/386339447.db2.gz YJKXJCQGWFJJCC-SNVBAGLBSA-N 1 2 236.319 0.817 20 0 BCADLO CC[N@H+](CCCO)Cc1nnc(C2CC2)[nH]1 ZINC000347487924 386439210 /nfs/dbraw/zinc/43/92/10/386439210.db2.gz SDULXVJNJVHSOL-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO CC[N@@H+](CCCO)Cc1nnc(C2CC2)[nH]1 ZINC000347487924 386439212 /nfs/dbraw/zinc/43/92/12/386439212.db2.gz SDULXVJNJVHSOL-UHFFFAOYSA-N 1 2 224.308 0.886 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCSC2)c[nH+]1 ZINC000266472283 386440691 /nfs/dbraw/zinc/44/06/91/386440691.db2.gz JKJAIULCHRUFCU-ZETCQYMHSA-N 1 2 211.290 0.953 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCOC1 ZINC000347535126 386443857 /nfs/dbraw/zinc/44/38/57/386443857.db2.gz RFAWUCYXNRPPPP-LLVKDONJSA-N 1 2 223.276 0.426 20 0 BCADLO COc1ncncc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648038341 386449143 /nfs/dbraw/zinc/44/91/43/386449143.db2.gz WELMLBKKZJDFQN-VHSXEESVSA-N 1 2 221.260 0.458 20 0 BCADLO COc1ncncc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648038341 386449148 /nfs/dbraw/zinc/44/91/48/386449148.db2.gz WELMLBKKZJDFQN-VHSXEESVSA-N 1 2 221.260 0.458 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H](C)C(=O)NCCF ZINC000336778142 386449414 /nfs/dbraw/zinc/44/94/14/386449414.db2.gz KLYJMRPFNLUWJB-MRVPVSSYSA-N 1 2 228.271 0.282 20 0 BCADLO CC[C@@H](C(=O)Nc1n[nH]c(SC)n1)[NH+](C)C ZINC000298822005 386388691 /nfs/dbraw/zinc/38/86/91/386388691.db2.gz GSYCQHIOMVSRBY-LURJTMIESA-N 1 2 243.336 0.805 20 0 BCADLO CC[C@@H](C(=O)Nc1nc(SC)n[nH]1)[NH+](C)C ZINC000298822005 386388693 /nfs/dbraw/zinc/38/86/93/386388693.db2.gz GSYCQHIOMVSRBY-LURJTMIESA-N 1 2 243.336 0.805 20 0 BCADLO Cc1c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cnn1C ZINC000336694505 386389376 /nfs/dbraw/zinc/38/93/76/386389376.db2.gz LJLLNNQXIWFAHB-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cnn1C ZINC000336694505 386389381 /nfs/dbraw/zinc/38/93/81/386389381.db2.gz LJLLNNQXIWFAHB-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334497696 386391692 /nfs/dbraw/zinc/39/16/92/386391692.db2.gz IJEAVKDAKXNZDA-VIFPVBQESA-N 1 2 235.287 0.360 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334497696 386391696 /nfs/dbraw/zinc/39/16/96/386391696.db2.gz IJEAVKDAKXNZDA-VIFPVBQESA-N 1 2 235.287 0.360 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347352849 386392096 /nfs/dbraw/zinc/39/20/96/386392096.db2.gz OEHOWSXKCLJCGB-LDYMZIIASA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347352849 386392098 /nfs/dbraw/zinc/39/20/98/386392098.db2.gz OEHOWSXKCLJCGB-LDYMZIIASA-N 1 2 246.282 0.098 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@](C)(O)C1CC1 ZINC000339373803 386392973 /nfs/dbraw/zinc/39/29/73/386392973.db2.gz QGCQORPKRWHDQG-GFCCVEGCSA-N 1 2 237.303 0.919 20 0 BCADLO Cc1nc(C[N@H+](C)CCc2cn[nH]c2)no1 ZINC000290134305 386399268 /nfs/dbraw/zinc/39/92/68/386399268.db2.gz VHWLVDMGJSWLBK-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1nc(C[N@@H+](C)CCc2cn[nH]c2)no1 ZINC000290134305 386399274 /nfs/dbraw/zinc/39/92/74/386399274.db2.gz VHWLVDMGJSWLBK-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO CCc1n[nH]cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298972670 386399875 /nfs/dbraw/zinc/39/98/75/386399875.db2.gz GNLXIRXGNISQEM-SECBINFHSA-N 1 2 247.302 0.987 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC000336700977 386400356 /nfs/dbraw/zinc/40/03/56/386400356.db2.gz JVUUUKNWOCOOBF-UWVGGRQHSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC000336700977 386400360 /nfs/dbraw/zinc/40/03/60/386400360.db2.gz JVUUUKNWOCOOBF-UWVGGRQHSA-N 1 2 237.307 0.069 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNS(C)(=O)=O ZINC000182410310 386400775 /nfs/dbraw/zinc/40/07/75/386400775.db2.gz FIMDTFUDKZRYTE-UHFFFAOYSA-N 1 2 231.321 0.588 20 0 BCADLO CC(C)OCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000347432283 386402285 /nfs/dbraw/zinc/40/22/85/386402285.db2.gz FRBSKKGFVVSFLK-QMTHXVAHSA-N 1 2 219.350 0.864 20 0 BCADLO CC(C)OCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000347432283 386402288 /nfs/dbraw/zinc/40/22/88/386402288.db2.gz FRBSKKGFVVSFLK-QMTHXVAHSA-N 1 2 219.350 0.864 20 0 BCADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000347432276 386402338 /nfs/dbraw/zinc/40/23/38/386402338.db2.gz FRBSKKGFVVSFLK-HZMBPMFUSA-N 1 2 219.350 0.864 20 0 BCADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000347432276 386402340 /nfs/dbraw/zinc/40/23/40/386402340.db2.gz FRBSKKGFVVSFLK-HZMBPMFUSA-N 1 2 219.350 0.864 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298993141 386402820 /nfs/dbraw/zinc/40/28/20/386402820.db2.gz IWPXTZNSRUINMS-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO COCCN(CCOC)c1cc[nH+]c(C)n1 ZINC000266160728 386405537 /nfs/dbraw/zinc/40/55/37/386405537.db2.gz NLZSFNUKZRIFCR-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C(=O)c1ccc[nH]1 ZINC000436481233 386405861 /nfs/dbraw/zinc/40/58/61/386405861.db2.gz UVKMXRFVXCVBRR-UHFFFAOYSA-N 1 2 218.216 0.237 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000336702851 386407507 /nfs/dbraw/zinc/40/75/07/386407507.db2.gz ITTWOICUARCDOI-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000336702851 386407513 /nfs/dbraw/zinc/40/75/13/386407513.db2.gz ITTWOICUARCDOI-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO O=C(C[N@@H+]1CCc2ncccc2C1)NC1CC1 ZINC000366358657 386407997 /nfs/dbraw/zinc/40/79/97/386407997.db2.gz SOEDNEJOTIOQPC-UHFFFAOYSA-N 1 2 231.299 0.718 20 0 BCADLO O=C(C[N@H+]1CCc2ncccc2C1)NC1CC1 ZINC000366358657 386408003 /nfs/dbraw/zinc/40/80/03/386408003.db2.gz SOEDNEJOTIOQPC-UHFFFAOYSA-N 1 2 231.299 0.718 20 0 BCADLO CC(C)(O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000277159692 386413459 /nfs/dbraw/zinc/41/34/59/386413459.db2.gz QQVJKNPQCFLLKE-UHFFFAOYSA-N 1 2 233.271 0.721 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347461662 386414259 /nfs/dbraw/zinc/41/42/59/386414259.db2.gz YDTCMFKJELOYOP-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347461662 386414265 /nfs/dbraw/zinc/41/42/65/386414265.db2.gz YDTCMFKJELOYOP-ZJUUUORDSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000347461661 386415617 /nfs/dbraw/zinc/41/56/17/386415617.db2.gz YDTCMFKJELOYOP-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000347461661 386415627 /nfs/dbraw/zinc/41/56/27/386415627.db2.gz YDTCMFKJELOYOP-VHSXEESVSA-N 1 2 233.283 0.998 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn[nH]c2C)C[C@@H]1OC ZINC000277211418 386419016 /nfs/dbraw/zinc/41/90/16/386419016.db2.gz KKTGJUVOEVWSSF-PHIMTYICSA-N 1 2 225.292 0.564 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@@H]1OC ZINC000277211418 386419020 /nfs/dbraw/zinc/41/90/20/386419020.db2.gz KKTGJUVOEVWSSF-PHIMTYICSA-N 1 2 225.292 0.564 20 0 BCADLO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000308489902 386424071 /nfs/dbraw/zinc/42/40/71/386424071.db2.gz QEEGEOJCCBTCEZ-HLTSFMKQSA-N 1 2 203.282 0.951 20 0 BCADLO COC(=O)C[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290404883 386429639 /nfs/dbraw/zinc/42/96/39/386429639.db2.gz KUKLKIPSMHIGMY-UHFFFAOYSA-N 1 2 234.259 0.563 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290404883 386429646 /nfs/dbraw/zinc/42/96/46/386429646.db2.gz KUKLKIPSMHIGMY-UHFFFAOYSA-N 1 2 234.259 0.563 20 0 BCADLO C[N@H+](CCN1CCNC1=O)Cc1nccs1 ZINC000290427174 386433300 /nfs/dbraw/zinc/43/33/00/386433300.db2.gz UYSYWSDEAYQPAQ-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO C[N@@H+](CCN1CCNC1=O)Cc1nccs1 ZINC000290427174 386433303 /nfs/dbraw/zinc/43/33/03/386433303.db2.gz UYSYWSDEAYQPAQ-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCOC1 ZINC000299289055 386434100 /nfs/dbraw/zinc/43/41/00/386434100.db2.gz ZRLQBCBMJYCIHF-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCOC1 ZINC000299289064 386434891 /nfs/dbraw/zinc/43/48/91/386434891.db2.gz ZRLQBCBMJYCIHF-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)Cc1nnnn1C ZINC000336712342 386435636 /nfs/dbraw/zinc/43/56/36/386435636.db2.gz OEHXWYYLUJISEB-UHFFFAOYSA-N 1 2 249.322 0.620 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1Cc1n[nH]c(C2CC2)n1 ZINC000347478685 386435846 /nfs/dbraw/zinc/43/58/46/386435846.db2.gz KOZXFADRGKYVIP-SECBINFHSA-N 1 2 235.335 0.818 20 0 BCADLO COc1cncc(C[NH+]2CC(C)(O)C2)c1C ZINC000639253192 386470554 /nfs/dbraw/zinc/47/05/54/386470554.db2.gz AABVGIOCNHQXLA-UHFFFAOYSA-N 1 2 222.288 0.965 20 0 BCADLO CC[N@@H+]1CCO[C@@H](c2nc(N(C)C)no2)C1 ZINC000417283309 386473411 /nfs/dbraw/zinc/47/34/11/386473411.db2.gz XJKDLTAUBAPDIH-MRVPVSSYSA-N 1 2 226.280 0.529 20 0 BCADLO CC[N@H+]1CCO[C@@H](c2nc(N(C)C)no2)C1 ZINC000417283309 386473415 /nfs/dbraw/zinc/47/34/15/386473415.db2.gz XJKDLTAUBAPDIH-MRVPVSSYSA-N 1 2 226.280 0.529 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336736552 386474364 /nfs/dbraw/zinc/47/43/64/386474364.db2.gz YOXTVWJBEZAFDX-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336736552 386474367 /nfs/dbraw/zinc/47/43/67/386474367.db2.gz YOXTVWJBEZAFDX-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000290791913 386475488 /nfs/dbraw/zinc/47/54/88/386475488.db2.gz DFOQUYOGJLGAAZ-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000290791913 386475496 /nfs/dbraw/zinc/47/54/96/386475496.db2.gz DFOQUYOGJLGAAZ-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000266856230 386475990 /nfs/dbraw/zinc/47/59/90/386475990.db2.gz SHJKGHBSOFDDFZ-UHFFFAOYSA-N 1 2 209.249 0.641 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000335429703 386484373 /nfs/dbraw/zinc/48/43/73/386484373.db2.gz NFZXKKXYIIWDLO-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cnccc1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000335429703 386484376 /nfs/dbraw/zinc/48/43/76/386484376.db2.gz NFZXKKXYIIWDLO-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000340642596 386484665 /nfs/dbraw/zinc/48/46/65/386484665.db2.gz LEEYFEARDWRYKI-KXUCPTDWSA-N 1 2 212.293 0.232 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266987182 386485227 /nfs/dbraw/zinc/48/52/27/386485227.db2.gz SXPZITFEMGUNFV-QMMMGPOBSA-N 1 2 211.265 0.759 20 0 BCADLO CO[C@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290938144 386489252 /nfs/dbraw/zinc/48/92/52/386489252.db2.gz OALWFPFERMPOFR-NSHDSACASA-N 1 2 235.287 0.650 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000111850980 386493578 /nfs/dbraw/zinc/49/35/78/386493578.db2.gz OZQYEMCTNCDATP-RQJHMYQMSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000111850980 386493582 /nfs/dbraw/zinc/49/35/82/386493582.db2.gz OZQYEMCTNCDATP-RQJHMYQMSA-N 1 2 241.209 0.547 20 0 BCADLO C[C@@H](CNC(=O)c1cn[nH]c1)Cn1cc[nH+]c1 ZINC000267149221 386500214 /nfs/dbraw/zinc/50/02/14/386500214.db2.gz RHXLFYHYPBWYHH-VIFPVBQESA-N 1 2 233.275 0.672 20 0 BCADLO Cc1noc(C)c1CC[N@@H+](C)CC(N)=O ZINC000339645742 386502702 /nfs/dbraw/zinc/50/27/02/386502702.db2.gz LBCWSSGCRHCMCF-UHFFFAOYSA-N 1 2 211.265 0.251 20 0 BCADLO Cc1noc(C)c1CC[N@H+](C)CC(N)=O ZINC000339645742 386502707 /nfs/dbraw/zinc/50/27/07/386502707.db2.gz LBCWSSGCRHCMCF-UHFFFAOYSA-N 1 2 211.265 0.251 20 0 BCADLO Cc1cnc(C[N@@H+](CC(N)=O)CC(C)C)nc1 ZINC000340661450 386509295 /nfs/dbraw/zinc/50/92/95/386509295.db2.gz XQBYTMDGWHZARO-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1cnc(C[N@H+](CC(N)=O)CC(C)C)nc1 ZINC000340661450 386509298 /nfs/dbraw/zinc/50/92/98/386509298.db2.gz XQBYTMDGWHZARO-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO C[C@@H](C(=O)N(C)CC1CC1)[NH+]1CCOCC1 ZINC000339690815 386519007 /nfs/dbraw/zinc/51/90/07/386519007.db2.gz BOHBFKQBKBUBGO-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](O)C1 ZINC000191909530 386522448 /nfs/dbraw/zinc/52/24/48/386522448.db2.gz WYTMWYGNUPWOMV-WPRPVWTQSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](O)C1 ZINC000191909530 386522459 /nfs/dbraw/zinc/52/24/59/386522459.db2.gz WYTMWYGNUPWOMV-WPRPVWTQSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCO1 ZINC000340349863 386459927 /nfs/dbraw/zinc/45/99/27/386459927.db2.gz CYTAWJVOIIJQOL-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO COC(=O)CCCNC(=O)CCn1cc[nH+]c1 ZINC000299549723 386464271 /nfs/dbraw/zinc/46/42/71/386464271.db2.gz CRNFAPACBHGZBI-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CO[C@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000277772693 386464166 /nfs/dbraw/zinc/46/41/66/386464166.db2.gz DWICRQNSBOILJA-ZCFIWIBFSA-N 1 2 236.279 0.392 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000408424476 386574138 /nfs/dbraw/zinc/57/41/38/386574138.db2.gz CSUBMSLKWDPQNK-ZETCQYMHSA-N 1 2 226.305 0.235 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000408424476 386574142 /nfs/dbraw/zinc/57/41/42/386574142.db2.gz CSUBMSLKWDPQNK-ZETCQYMHSA-N 1 2 226.305 0.235 20 0 BCADLO COC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000062253886 386575853 /nfs/dbraw/zinc/57/58/53/386575853.db2.gz NEYBIWBOMGPVCC-QMMMGPOBSA-N 1 2 211.265 0.413 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccno2)C1 ZINC000267760265 386581488 /nfs/dbraw/zinc/58/14/88/386581488.db2.gz FPKKXHBPZHMOOB-SNVBAGLBSA-N 1 2 228.223 0.762 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccno2)C1 ZINC000267760265 386581494 /nfs/dbraw/zinc/58/14/94/386581494.db2.gz FPKKXHBPZHMOOB-SNVBAGLBSA-N 1 2 228.223 0.762 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000291808476 386585315 /nfs/dbraw/zinc/58/53/15/386585315.db2.gz CJHLAMDRVKHMBO-HOMPQPGZSA-N 1 2 223.276 0.963 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000267905262 386598643 /nfs/dbraw/zinc/59/86/43/386598643.db2.gz AOUYPGDLOVOFRA-WCBMZHEXSA-N 1 2 223.276 0.609 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000267827081 386588882 /nfs/dbraw/zinc/58/88/82/386588882.db2.gz HYYDNQQZMHRVPR-SSDOTTSWSA-N 1 2 225.248 0.400 20 0 BCADLO COC(=O)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000267834917 386589483 /nfs/dbraw/zinc/58/94/83/386589483.db2.gz LKEYALFFZDTPAX-VIFPVBQESA-N 1 2 237.259 0.400 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000291863808 386592821 /nfs/dbraw/zinc/59/28/21/386592821.db2.gz KFEJNHYTBZSBAI-APPZFPTMSA-N 1 2 225.292 0.800 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000291863808 386592825 /nfs/dbraw/zinc/59/28/25/386592825.db2.gz KFEJNHYTBZSBAI-APPZFPTMSA-N 1 2 225.292 0.800 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335455070 386531339 /nfs/dbraw/zinc/53/13/39/386531339.db2.gz NJRCBSSDQHVLFI-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335455070 386531343 /nfs/dbraw/zinc/53/13/43/386531343.db2.gz NJRCBSSDQHVLFI-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000061680273 386531924 /nfs/dbraw/zinc/53/19/24/386531924.db2.gz ZTBWQSWZNGXQTQ-SSDOTTSWSA-N 1 2 207.233 0.639 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1c1cc[nH]n1)NC1CC1 ZINC000278511278 386535826 /nfs/dbraw/zinc/53/58/26/386535826.db2.gz BKZYXMHJWDVUQV-NSHDSACASA-N 1 2 234.303 0.825 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1c1cc[nH]n1)NC1CC1 ZINC000278511278 386535838 /nfs/dbraw/zinc/53/58/38/386535838.db2.gz BKZYXMHJWDVUQV-NSHDSACASA-N 1 2 234.303 0.825 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000527388986 386537473 /nfs/dbraw/zinc/53/74/73/386537473.db2.gz PHAXLMXQUAVXQD-QJPTWQEYSA-N 1 2 249.314 0.646 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291385212 386540027 /nfs/dbraw/zinc/54/00/27/386540027.db2.gz AZADPWBBZZVANA-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291385212 386540034 /nfs/dbraw/zinc/54/00/34/386540034.db2.gz AZADPWBBZZVANA-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)[nH]1 ZINC000061711127 386543931 /nfs/dbraw/zinc/54/39/31/386543931.db2.gz YIUFNIQQKALWAG-JTQLQIEISA-N 1 2 222.288 0.881 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)[nH]1 ZINC000061711127 386543936 /nfs/dbraw/zinc/54/39/36/386543936.db2.gz YIUFNIQQKALWAG-JTQLQIEISA-N 1 2 222.288 0.881 20 0 BCADLO CC(C)N(C)C(=O)C[NH+]1CCOCC1 ZINC000061757310 386544068 /nfs/dbraw/zinc/54/40/68/386544068.db2.gz PAYJZSUWXMXYJR-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO C[C@H](C[NH3+])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000335462615 386545161 /nfs/dbraw/zinc/54/51/61/386545161.db2.gz NGVJXZYMKYWRLQ-RXMQYKEDSA-N 1 2 230.214 0.747 20 0 BCADLO Cc1noc(C[NH2+]C2(C(N)=O)CCCCC2)n1 ZINC000267466423 386546407 /nfs/dbraw/zinc/54/64/07/386546407.db2.gz NOJIOTRTBMGIIL-UHFFFAOYSA-N 1 2 238.291 0.656 20 0 BCADLO C[C@H](CNC(=O)c1ncn(C)n1)Cn1cc[nH+]c1 ZINC000291880734 386597072 /nfs/dbraw/zinc/59/70/72/386597072.db2.gz IGCDKFCDPOSZMN-SECBINFHSA-N 1 2 248.290 0.078 20 0 BCADLO CC[N@H+](CCOCCO)Cc1[nH]ncc1C ZINC000291453186 386549654 /nfs/dbraw/zinc/54/96/54/386549654.db2.gz COJJXFHDYIWUPV-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1[nH]ncc1C ZINC000291453186 386549659 /nfs/dbraw/zinc/54/96/59/386549659.db2.gz COJJXFHDYIWUPV-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cnnn1C ZINC000336916946 386556165 /nfs/dbraw/zinc/55/61/65/386556165.db2.gz CMYILNVDGYPTNZ-UHFFFAOYSA-N 1 2 217.232 0.193 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC[C@H]1CCOC1 ZINC000267614423 386562946 /nfs/dbraw/zinc/56/29/46/386562946.db2.gz SSEDPWZACNFEBK-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO CC[C@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291647577 386563202 /nfs/dbraw/zinc/56/32/02/386563202.db2.gz NHWNPTJSLCEOFL-UWVGGRQHSA-N 1 2 240.307 0.342 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335405905 386563823 /nfs/dbraw/zinc/56/38/23/386563823.db2.gz APLCVPRVPVSLMA-GXSJLCMTSA-N 1 2 242.344 0.083 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335405905 386563829 /nfs/dbraw/zinc/56/38/29/386563829.db2.gz APLCVPRVPVSLMA-GXSJLCMTSA-N 1 2 242.344 0.083 20 0 BCADLO Cc1cnc(CC[N@@H+]2CCNC(=O)C2)c(C)c1 ZINC000335406596 386565400 /nfs/dbraw/zinc/56/54/00/386565400.db2.gz GFTBQSMZKWEOKM-UHFFFAOYSA-N 1 2 233.315 0.673 20 0 BCADLO Cc1cnc(CC[N@H+]2CCNC(=O)C2)c(C)c1 ZINC000335406596 386565406 /nfs/dbraw/zinc/56/54/06/386565406.db2.gz GFTBQSMZKWEOKM-UHFFFAOYSA-N 1 2 233.315 0.673 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nccn1C ZINC000123559106 386568450 /nfs/dbraw/zinc/56/84/50/386568450.db2.gz CMUCRGMLOSLOBM-SECBINFHSA-N 1 2 245.348 0.333 20 0 BCADLO Cn1nncc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000336995918 386569178 /nfs/dbraw/zinc/56/91/78/386569178.db2.gz ZYFSLUIGXKSICH-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO C[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CO1 ZINC000408423181 386571101 /nfs/dbraw/zinc/57/11/01/386571101.db2.gz WVBHQWVFMXBUBN-YUMQZZPRSA-N 1 2 222.244 0.573 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000519863516 386573179 /nfs/dbraw/zinc/57/31/79/386573179.db2.gz VQJHTDLBKZCQDJ-QMMMGPOBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000519863516 386573183 /nfs/dbraw/zinc/57/31/83/386573183.db2.gz VQJHTDLBKZCQDJ-QMMMGPOBSA-N 1 2 224.308 0.570 20 0 BCADLO O=C1CC[C@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000329167238 386622298 /nfs/dbraw/zinc/62/22/98/386622298.db2.gz IMHHSZWRGVKPCH-JTQLQIEISA-N 1 2 220.276 0.216 20 0 BCADLO CN(C)C(=O)C[N@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000337140683 386625292 /nfs/dbraw/zinc/62/52/92/386625292.db2.gz UQRFHFAOHVTSAX-MRVPVSSYSA-N 1 2 242.241 0.320 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000337140683 386625298 /nfs/dbraw/zinc/62/52/98/386625298.db2.gz UQRFHFAOHVTSAX-MRVPVSSYSA-N 1 2 242.241 0.320 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000644939234 386626918 /nfs/dbraw/zinc/62/69/18/386626918.db2.gz ONZVIPYORPQHBT-PHDIDXHHSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000644939234 386626921 /nfs/dbraw/zinc/62/69/21/386626921.db2.gz ONZVIPYORPQHBT-PHDIDXHHSA-N 1 2 233.218 0.962 20 0 BCADLO Cc1nc(N2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000279070407 386627042 /nfs/dbraw/zinc/62/70/42/386627042.db2.gz KBJFPWXTXFZTHY-UHFFFAOYSA-N 1 2 218.260 0.554 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000268188565 386629161 /nfs/dbraw/zinc/62/91/61/386629161.db2.gz VJBSKEPBGMVNIR-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000644931107 386629351 /nfs/dbraw/zinc/62/93/51/386629351.db2.gz PVYQYRKNDGZDDE-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H](O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000644931107 386629353 /nfs/dbraw/zinc/62/93/53/386629353.db2.gz PVYQYRKNDGZDDE-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000268189472 386629474 /nfs/dbraw/zinc/62/94/74/386629474.db2.gz KMEKALCFKJCJMZ-ZETCQYMHSA-N 1 2 239.275 0.534 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000268244444 386632019 /nfs/dbraw/zinc/63/20/19/386632019.db2.gz SCPZAYCIZXIZLG-JTQLQIEISA-N 1 2 237.303 0.701 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000268244444 386632027 /nfs/dbraw/zinc/63/20/27/386632027.db2.gz SCPZAYCIZXIZLG-JTQLQIEISA-N 1 2 237.303 0.701 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440502 386633982 /nfs/dbraw/zinc/63/39/82/386633982.db2.gz CMLVJSMCJHLZPV-VDAHYXPESA-N 1 2 239.275 0.045 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440502 386633987 /nfs/dbraw/zinc/63/39/87/386633987.db2.gz CMLVJSMCJHLZPV-VDAHYXPESA-N 1 2 239.275 0.045 20 0 BCADLO c1[nH]nnc1CSCC[NH+]1CCOCC1 ZINC000329230420 386640208 /nfs/dbraw/zinc/64/02/08/386640208.db2.gz DKYLHFOAEAESJD-UHFFFAOYSA-N 1 2 228.321 0.370 20 0 BCADLO c1n[nH]nc1CSCC[NH+]1CCOCC1 ZINC000329230420 386640216 /nfs/dbraw/zinc/64/02/16/386640216.db2.gz DKYLHFOAEAESJD-UHFFFAOYSA-N 1 2 228.321 0.370 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000329350191 386656078 /nfs/dbraw/zinc/65/60/78/386656078.db2.gz SWBZMCPELMBBNH-UHFFFAOYSA-N 1 2 248.286 0.133 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nnc[nH]1 ZINC000279189222 386644997 /nfs/dbraw/zinc/64/49/97/386644997.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 1 2 249.318 0.609 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nnc[nH]1 ZINC000279189222 386645004 /nfs/dbraw/zinc/64/50/04/386645004.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 1 2 249.318 0.609 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329298076 386645886 /nfs/dbraw/zinc/64/58/86/386645886.db2.gz LDVDLRAJDXFLAD-UHFFFAOYSA-N 1 2 249.318 0.620 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCOCC2(CC2)C1 ZINC000329298076 386645896 /nfs/dbraw/zinc/64/58/96/386645896.db2.gz LDVDLRAJDXFLAD-UHFFFAOYSA-N 1 2 249.318 0.620 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1=O ZINC000337201075 386649209 /nfs/dbraw/zinc/64/92/09/386649209.db2.gz FPPZBXOAVPFWRT-MNOVXSKESA-N 1 2 228.336 0.556 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1=O ZINC000337201075 386649216 /nfs/dbraw/zinc/64/92/16/386649216.db2.gz FPPZBXOAVPFWRT-MNOVXSKESA-N 1 2 228.336 0.556 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550361 386603538 /nfs/dbraw/zinc/60/35/38/386603538.db2.gz PCHZOGMTBRIDQA-YUMQZZPRSA-N 1 2 224.264 0.156 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550361 386603541 /nfs/dbraw/zinc/60/35/41/386603541.db2.gz PCHZOGMTBRIDQA-YUMQZZPRSA-N 1 2 224.264 0.156 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ncn1 ZINC000292003382 386608194 /nfs/dbraw/zinc/60/81/94/386608194.db2.gz CAVAQPVUDZXQKN-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ncn1 ZINC000292003382 386608198 /nfs/dbraw/zinc/60/81/98/386608198.db2.gz CAVAQPVUDZXQKN-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000049371991 386608983 /nfs/dbraw/zinc/60/89/83/386608983.db2.gz KLZATJXPZVAWOC-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)C(C)C ZINC000292036493 386612092 /nfs/dbraw/zinc/61/20/92/386612092.db2.gz XINJKVAIZWZLHJ-VIFPVBQESA-N 1 2 211.265 0.351 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337120856 386612162 /nfs/dbraw/zinc/61/21/62/386612162.db2.gz DWOYFYNGHCQUJM-JTQLQIEISA-N 1 2 244.360 0.017 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337120856 386612167 /nfs/dbraw/zinc/61/21/67/386612167.db2.gz DWOYFYNGHCQUJM-JTQLQIEISA-N 1 2 244.360 0.017 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493864 386614640 /nfs/dbraw/zinc/61/46/40/386614640.db2.gz YZFZNTQAFNLJGG-JQWIXIFHSA-N 1 2 249.314 0.693 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000278975462 386615610 /nfs/dbraw/zinc/61/56/10/386615610.db2.gz XZTOYQAGUJYKPK-NSHDSACASA-N 1 2 225.292 0.538 20 0 BCADLO C[C@H](CO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000278983239 386615686 /nfs/dbraw/zinc/61/56/86/386615686.db2.gz PPCRHANSHQDZQK-KOLCDFICSA-N 1 2 232.287 0.865 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)[C@@H](C)C[N@@H+]1C ZINC000408373112 386616014 /nfs/dbraw/zinc/61/60/14/386616014.db2.gz KJAOHQHJSWCCPC-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1CN(C(=O)c2ncccc2O)[C@@H](C)C[N@H+]1C ZINC000408373112 386616019 /nfs/dbraw/zinc/61/60/19/386616019.db2.gz KJAOHQHJSWCCPC-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO CN(C)[C@@H](C(=O)N1CCCO1)c1c[nH+]cn1C ZINC000328768201 386619068 /nfs/dbraw/zinc/61/90/68/386619068.db2.gz HXQXFPBGGLABBA-SNVBAGLBSA-N 1 2 238.291 0.187 20 0 BCADLO CCn1ncnc1C[N@H+](CC)CCCO ZINC000124654921 386661108 /nfs/dbraw/zinc/66/11/08/386661108.db2.gz GAOHHXLOMIYADN-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)CCCO ZINC000124654921 386661116 /nfs/dbraw/zinc/66/11/16/386661116.db2.gz GAOHHXLOMIYADN-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@@H]32)nn1C ZINC000337225302 386662863 /nfs/dbraw/zinc/66/28/63/386662863.db2.gz PVSDZKDXZIWUHJ-NEPJUHHUSA-N 1 2 248.330 0.439 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@@H]32)nn1C ZINC000337225302 386662870 /nfs/dbraw/zinc/66/28/70/386662870.db2.gz PVSDZKDXZIWUHJ-NEPJUHHUSA-N 1 2 248.330 0.439 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000268582346 386664433 /nfs/dbraw/zinc/66/44/33/386664433.db2.gz TXTKZEDLRUGZBU-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000268582346 386664437 /nfs/dbraw/zinc/66/44/37/386664437.db2.gz TXTKZEDLRUGZBU-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000645002439 386664496 /nfs/dbraw/zinc/66/44/96/386664496.db2.gz GWXNPAXNZAYOQR-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000645002439 386664502 /nfs/dbraw/zinc/66/45/02/386664502.db2.gz GWXNPAXNZAYOQR-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)ncn1 ZINC000292405956 386666008 /nfs/dbraw/zinc/66/60/08/386666008.db2.gz JWOJJQVCEIXRRX-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)ncn1 ZINC000292405956 386666015 /nfs/dbraw/zinc/66/60/15/386666015.db2.gz JWOJJQVCEIXRRX-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1ccoc1C[N@H+](C)CC(=O)NC(N)=O ZINC000292438808 386671227 /nfs/dbraw/zinc/67/12/27/386671227.db2.gz WUZOYCNOKFGTCJ-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO Cc1ccoc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000292438808 386671235 /nfs/dbraw/zinc/67/12/35/386671235.db2.gz WUZOYCNOKFGTCJ-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N1CCC1 ZINC000337239069 386674267 /nfs/dbraw/zinc/67/42/67/386674267.db2.gz MQOWFIHFBXOFBK-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N1CCC1 ZINC000337239069 386674271 /nfs/dbraw/zinc/67/42/71/386674271.db2.gz MQOWFIHFBXOFBK-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000330364382 386678781 /nfs/dbraw/zinc/67/87/81/386678781.db2.gz LTASRIXDGUKQRV-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000330364382 386678789 /nfs/dbraw/zinc/67/87/89/386678789.db2.gz LTASRIXDGUKQRV-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nncn1C(C)C ZINC000292496921 386679109 /nfs/dbraw/zinc/67/91/09/386679109.db2.gz UEZMWCAGRMQCSY-UHFFFAOYSA-N 1 2 240.307 0.854 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nncn1C(C)C ZINC000292496921 386679117 /nfs/dbraw/zinc/67/91/17/386679117.db2.gz UEZMWCAGRMQCSY-UHFFFAOYSA-N 1 2 240.307 0.854 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000337231518 386681861 /nfs/dbraw/zinc/68/18/61/386681861.db2.gz IYEAFFVWMKPEDA-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@H+]1CCOC[C@@H]1C ZINC000337231518 386681866 /nfs/dbraw/zinc/68/18/66/386681866.db2.gz IYEAFFVWMKPEDA-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCOC[C@@H]1C ZINC000337231518 386681874 /nfs/dbraw/zinc/68/18/74/386681874.db2.gz IYEAFFVWMKPEDA-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCOC[C@@H]1C ZINC000337231518 386681882 /nfs/dbraw/zinc/68/18/82/386681882.db2.gz IYEAFFVWMKPEDA-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO Cn1ccnc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000366694223 386710012 /nfs/dbraw/zinc/71/00/12/386710012.db2.gz IJYBVHIWYYXZCP-NSHDSACASA-N 1 2 248.330 0.789 20 0 BCADLO Cn1ccnc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000366694223 386710021 /nfs/dbraw/zinc/71/00/21/386710021.db2.gz IJYBVHIWYYXZCP-NSHDSACASA-N 1 2 248.330 0.789 20 0 BCADLO CCCc1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000050116861 386683601 /nfs/dbraw/zinc/68/36/01/386683601.db2.gz MIPOVPIWOIDEDW-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000050116861 386683605 /nfs/dbraw/zinc/68/36/05/386683605.db2.gz MIPOVPIWOIDEDW-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(C(=O)OC)CC1 ZINC000049956504 386685410 /nfs/dbraw/zinc/68/54/10/386685410.db2.gz IXBUFYMIKJPDAG-MRVPVSSYSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000339832485 386687339 /nfs/dbraw/zinc/68/73/39/386687339.db2.gz BYQOATDZTBPTGU-UHFFFAOYSA-N 1 2 248.286 0.573 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000339832485 386687343 /nfs/dbraw/zinc/68/73/43/386687343.db2.gz BYQOATDZTBPTGU-UHFFFAOYSA-N 1 2 248.286 0.573 20 0 BCADLO CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC000292540232 386688186 /nfs/dbraw/zinc/68/81/86/386688186.db2.gz RSGSZEJGTSYPGV-VIFPVBQESA-N 1 2 225.292 0.802 20 0 BCADLO CC[C@@H](CNC(=O)Cc1[nH+]c[nH]c1C)OC ZINC000292540232 386688195 /nfs/dbraw/zinc/68/81/95/386688195.db2.gz RSGSZEJGTSYPGV-VIFPVBQESA-N 1 2 225.292 0.802 20 0 BCADLO O=C1CNC(=O)N1C[C@@H]1CCCn2cc[nH+]c21 ZINC000329491946 386689198 /nfs/dbraw/zinc/68/91/98/386689198.db2.gz VUHNGFUZXWONBC-QMMMGPOBSA-N 1 2 234.259 0.517 20 0 BCADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000647956165 386689285 /nfs/dbraw/zinc/68/92/85/386689285.db2.gz FPIVCHVUQHZDBB-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000647956165 386689291 /nfs/dbraw/zinc/68/92/91/386689291.db2.gz FPIVCHVUQHZDBB-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)[C@H](C)CO1 ZINC000647956165 386689294 /nfs/dbraw/zinc/68/92/94/386689294.db2.gz FPIVCHVUQHZDBB-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)[C@H](C)CO1 ZINC000647956165 386689299 /nfs/dbraw/zinc/68/92/99/386689299.db2.gz FPIVCHVUQHZDBB-RKDXNWHRSA-N 1 2 210.281 0.456 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCCCCO ZINC000229145473 386691761 /nfs/dbraw/zinc/69/17/61/386691761.db2.gz QNZFLYFSUINRBP-UHFFFAOYSA-N 1 2 225.292 0.552 20 0 BCADLO CNc1ccc(Nc2ccc3nnnn3n2)c[nH+]1 ZINC000042739445 386691987 /nfs/dbraw/zinc/69/19/87/386691987.db2.gz RMBVDXWVUKGKIN-UHFFFAOYSA-N 1 2 242.246 0.700 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cocn1 ZINC000279523831 386693750 /nfs/dbraw/zinc/69/37/50/386693750.db2.gz YRDGMMATAJZCCH-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cocn1 ZINC000279523831 386693756 /nfs/dbraw/zinc/69/37/56/386693756.db2.gz YRDGMMATAJZCCH-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cocn1 ZINC000279523831 386693766 /nfs/dbraw/zinc/69/37/66/386693766.db2.gz YRDGMMATAJZCCH-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cc(C)ncn2)[C@H](C)C1 ZINC000292598245 386697188 /nfs/dbraw/zinc/69/71/88/386697188.db2.gz VSNBCYXDXSZPBB-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ncn2)[C@H](C)C1 ZINC000292598245 386697198 /nfs/dbraw/zinc/69/71/98/386697198.db2.gz VSNBCYXDXSZPBB-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)C(=O)OC ZINC000192860982 386697193 /nfs/dbraw/zinc/69/71/93/386697193.db2.gz KCVVFBADMAVAOC-SNVBAGLBSA-N 1 2 244.335 0.690 20 0 BCADLO C[C@@H](CC(=O)NC1(CO)CC1)n1cc[nH+]c1 ZINC000520591947 386698513 /nfs/dbraw/zinc/69/85/13/386698513.db2.gz YEWWZCVXCYYLCH-VIFPVBQESA-N 1 2 223.276 0.475 20 0 BCADLO O=C1NC2(CC2)C(=O)N1[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329537833 386698981 /nfs/dbraw/zinc/69/89/81/386698981.db2.gz BTDRJAXTHYLTKR-ZETCQYMHSA-N 1 2 246.270 0.556 20 0 BCADLO O=C1NC2(CC2)C(=O)N1[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329537833 386698985 /nfs/dbraw/zinc/69/89/85/386698985.db2.gz BTDRJAXTHYLTKR-ZETCQYMHSA-N 1 2 246.270 0.556 20 0 BCADLO CCOC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000645065438 386701284 /nfs/dbraw/zinc/70/12/84/386701284.db2.gz RZJCGBCNLDFWMR-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO CO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000330410678 386707516 /nfs/dbraw/zinc/70/75/16/386707516.db2.gz UIEXQAQERYMKJP-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cnn1C ZINC000268971161 386730470 /nfs/dbraw/zinc/73/04/70/386730470.db2.gz AKVNQSWSSMQYBL-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cnn1C ZINC000268971161 386730474 /nfs/dbraw/zinc/73/04/74/386730474.db2.gz AKVNQSWSSMQYBL-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO COC(=O)[C@H](CC1CC1)NCc1c[nH+]cn1C ZINC000414494171 386731463 /nfs/dbraw/zinc/73/14/63/386731463.db2.gz UXOFXMYMQZMAAF-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000527022084 386732196 /nfs/dbraw/zinc/73/21/96/386732196.db2.gz ALIJCBIOLWTJOI-GHMZBOCLSA-N 1 2 237.303 0.646 20 0 BCADLO CCC(CC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000191961365 386732724 /nfs/dbraw/zinc/73/27/24/386732724.db2.gz YJJZRWLQRUWWPF-IONNQARKSA-N 1 2 203.282 0.687 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cn[nH]c1 ZINC000269000596 386734392 /nfs/dbraw/zinc/73/43/92/386734392.db2.gz UGAZVUXPBKLMQR-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)C(C)(C)C)c[nH+]1 ZINC000269022493 386738887 /nfs/dbraw/zinc/73/88/87/386738887.db2.gz KBNHSDZZGHVGCU-VIFPVBQESA-N 1 2 225.292 0.855 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000269015789 386739124 /nfs/dbraw/zinc/73/91/24/386739124.db2.gz OEXAGXYZHMOHSG-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000269015789 386739137 /nfs/dbraw/zinc/73/91/37/386739137.db2.gz OEXAGXYZHMOHSG-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C(N)=O)C1 ZINC000520668735 386715961 /nfs/dbraw/zinc/71/59/61/386715961.db2.gz CPLSZWWWDVOSPA-SECBINFHSA-N 1 2 220.276 0.405 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335540334 386720174 /nfs/dbraw/zinc/72/01/74/386720174.db2.gz KKLJFHHRUBDDMD-PSASIEDQSA-N 1 2 240.328 0.602 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335540334 386720182 /nfs/dbraw/zinc/72/01/82/386720182.db2.gz KKLJFHHRUBDDMD-PSASIEDQSA-N 1 2 240.328 0.602 20 0 BCADLO CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330465169 386723264 /nfs/dbraw/zinc/72/32/64/386723264.db2.gz WBZMTQNDHBRVNW-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCC1(O)CCC1 ZINC000357141922 386727096 /nfs/dbraw/zinc/72/70/96/386727096.db2.gz XXDNQWFYXZBTDR-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CCN1CC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000292795889 386727064 /nfs/dbraw/zinc/72/70/64/386727064.db2.gz QUEDJQOYIYYPPV-UHFFFAOYSA-N 1 2 249.270 0.874 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330509005 386745811 /nfs/dbraw/zinc/74/58/11/386745811.db2.gz CIMWWXWOYQGCQX-SFYZADRCSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330509005 386745813 /nfs/dbraw/zinc/74/58/13/386745813.db2.gz CIMWWXWOYQGCQX-SFYZADRCSA-N 1 2 229.280 0.095 20 0 BCADLO c1cn2c([nH+]1)CN(C[C@H]1CCCO1)CC2 ZINC000334148565 386746096 /nfs/dbraw/zinc/74/60/96/386746096.db2.gz YUEIATSHNKTSEO-SNVBAGLBSA-N 1 2 207.277 0.878 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1cn(C)nn1 ZINC000335539918 386748497 /nfs/dbraw/zinc/74/84/97/386748497.db2.gz CUAFIZHXGUUZML-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1cn(C)nn1 ZINC000335539918 386748504 /nfs/dbraw/zinc/74/85/04/386748504.db2.gz CUAFIZHXGUUZML-QMMMGPOBSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343249696 386751194 /nfs/dbraw/zinc/75/11/94/386751194.db2.gz DJDJXCZFKMLOHJ-WCABBAIRSA-N 1 2 219.288 0.970 20 0 BCADLO CC[C@@H](C(=O)NCCCn1cc[nH+]c1)[C@@H](C)O ZINC000357310492 386757072 /nfs/dbraw/zinc/75/70/72/386757072.db2.gz VSSKTRJCDRNSFO-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344834107 386757438 /nfs/dbraw/zinc/75/74/38/386757438.db2.gz RVCRGCCTVCVOAP-MNOVXSKESA-N 1 2 227.283 0.808 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344834107 386757445 /nfs/dbraw/zinc/75/74/45/386757445.db2.gz RVCRGCCTVCVOAP-MNOVXSKESA-N 1 2 227.283 0.808 20 0 BCADLO COC(=O)N(C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000269156474 386757800 /nfs/dbraw/zinc/75/78/00/386757800.db2.gz WHHMELOIOOAEQM-UHFFFAOYSA-N 1 2 238.247 0.301 20 0 BCADLO Cn1cnc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000269213121 386762667 /nfs/dbraw/zinc/76/26/67/386762667.db2.gz WYEPXODEIPDTMD-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CO[C@H]1C[C@H](CO)[N@H+](Cc2nccc(C)n2)C1 ZINC000344852590 386764872 /nfs/dbraw/zinc/76/48/72/386764872.db2.gz YGAFMKLIEZUJMS-MNOVXSKESA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@H]1C[C@H](CO)[N@@H+](Cc2nccc(C)n2)C1 ZINC000344852590 386764876 /nfs/dbraw/zinc/76/48/76/386764876.db2.gz YGAFMKLIEZUJMS-MNOVXSKESA-N 1 2 237.303 0.367 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330548534 386765570 /nfs/dbraw/zinc/76/55/70/386765570.db2.gz DASFJZUQRLGERG-CSMHCCOUSA-N 1 2 236.312 0.658 20 0 BCADLO CSC[C@@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330548534 386765575 /nfs/dbraw/zinc/76/55/75/386765575.db2.gz DASFJZUQRLGERG-CSMHCCOUSA-N 1 2 236.312 0.658 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000335538468 386740941 /nfs/dbraw/zinc/74/09/41/386740941.db2.gz KJEXLFRPXZYUQD-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000335538468 386740946 /nfs/dbraw/zinc/74/09/46/386740946.db2.gz KJEXLFRPXZYUQD-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCCO1 ZINC000269410747 386790414 /nfs/dbraw/zinc/79/04/14/386790414.db2.gz HYSUTXSCHWGQNF-VIFPVBQESA-N 1 2 223.276 0.605 20 0 BCADLO C(C[NH+]1CCC1)Nc1nc(C2CC2)ns1 ZINC000336761583 386771901 /nfs/dbraw/zinc/77/19/01/386771901.db2.gz NMZCUBGYFLVACX-UHFFFAOYSA-N 1 2 224.333 0.955 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000408443892 386774208 /nfs/dbraw/zinc/77/42/08/386774208.db2.gz RBELZGLKDSZJEJ-DTORHVGOSA-N 1 2 224.260 0.089 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000408443892 386774215 /nfs/dbraw/zinc/77/42/15/386774215.db2.gz RBELZGLKDSZJEJ-DTORHVGOSA-N 1 2 224.260 0.089 20 0 BCADLO Cc1oncc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000527074365 386774393 /nfs/dbraw/zinc/77/43/93/386774393.db2.gz LYVNYALYPPZNNI-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO Cc1oncc1C[N@H+](C)[C@H]1CCNC1=O ZINC000527074365 386774396 /nfs/dbraw/zinc/77/43/96/386774396.db2.gz LYVNYALYPPZNNI-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000165143873 386774505 /nfs/dbraw/zinc/77/45/05/386774505.db2.gz ZDPVLJUCZNAPET-NXEZZACHSA-N 1 2 225.292 0.549 20 0 BCADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ncnn1C ZINC000191192592 386775176 /nfs/dbraw/zinc/77/51/76/386775176.db2.gz WIWHHOUUUVFYQH-IUCAKERBSA-N 1 2 224.308 0.549 20 0 BCADLO O=C(CC[C@H]1CCOC1)Nc1cc[nH+]cc1O ZINC000329697379 386784435 /nfs/dbraw/zinc/78/44/35/386784435.db2.gz FFJFPVDLTNOKAD-VIFPVBQESA-N 1 2 236.271 0.964 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330563940 386787667 /nfs/dbraw/zinc/78/76/67/386787667.db2.gz KDANUKUSZLYGPT-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCO1 ZINC000334756498 386817748 /nfs/dbraw/zinc/81/77/48/386817748.db2.gz YOLAHAULJJLRRR-JTQLQIEISA-N 1 2 235.287 1.000 20 0 BCADLO COC(=O)c1cnc([C@H](C)[NH2+]CC(N)=O)s1 ZINC000314656577 386818472 /nfs/dbraw/zinc/81/84/72/386818472.db2.gz NFXMWRTZNWZWLC-YFKPBYRVSA-N 1 2 243.288 0.066 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CO ZINC000344862353 386803382 /nfs/dbraw/zinc/80/33/82/386803382.db2.gz GOFCNWULFIJYEL-ZJUUUORDSA-N 1 2 227.283 0.808 20 0 BCADLO COC(=O)C1(NCc2c[nH+]cn2C)CCCC1 ZINC000330595273 386805088 /nfs/dbraw/zinc/80/50/88/386805088.db2.gz UJHIIASJDSMFBM-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO COC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330599435 386806486 /nfs/dbraw/zinc/80/64/86/386806486.db2.gz GHTDSCKNCVALRX-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@@]1(C(N)=O)CCN(c2cccc[nH+]2)C1 ZINC000280354957 386806700 /nfs/dbraw/zinc/80/67/00/386806700.db2.gz WYIXENUGIHMVKI-LLVKDONJSA-N 1 2 205.261 0.783 20 0 BCADLO COC(=O)c1cnc(NCc2c[nH+]cn2C)nc1 ZINC000357577533 386809297 /nfs/dbraw/zinc/80/92/97/386809297.db2.gz FAVADEWCKOKZNJ-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO COc1cc(NC(=O)NCc2[nH]cc[nH+]2)ncn1 ZINC000340999055 386814625 /nfs/dbraw/zinc/81/46/25/386814625.db2.gz TZPDUFODDCEOJY-UHFFFAOYSA-N 1 2 248.246 0.530 20 0 BCADLO CCOc1cccc(C[NH+]2CC(C(=O)NC)C2)n1 ZINC000357616135 386814884 /nfs/dbraw/zinc/81/48/84/386814884.db2.gz DUSQMALRDSEGMM-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO CCO[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000330672320 386853233 /nfs/dbraw/zinc/85/32/33/386853233.db2.gz GICCVVCKXGAAPH-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO Cc1[nH]c2nc[nH+]c(NCc3nn[nH]n3)c2c1C ZINC000645167028 386829930 /nfs/dbraw/zinc/82/99/30/386829930.db2.gz GHEUZFOKLVKCFA-UHFFFAOYSA-N 1 2 244.262 0.700 20 0 BCADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)[nH]n1 ZINC000357721637 386833981 /nfs/dbraw/zinc/83/39/81/386833981.db2.gz FLSOAZXSONRLOP-UHFFFAOYSA-N 1 2 245.286 0.955 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000336469829 386834890 /nfs/dbraw/zinc/83/48/90/386834890.db2.gz KREVUPUGJXPMAR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000336469829 386834901 /nfs/dbraw/zinc/83/49/01/386834901.db2.gz KREVUPUGJXPMAR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO Cc1ccc(NC(=O)CNC(N)=O)c(C)[nH+]1 ZINC000330677386 386853361 /nfs/dbraw/zinc/85/33/61/386853361.db2.gz JHCFBCFUKAOYSN-UHFFFAOYSA-N 1 2 222.248 0.719 20 0 BCADLO CC(C)(O)CC(=O)NCCNc1cccc[nH+]1 ZINC000280698380 386838404 /nfs/dbraw/zinc/83/84/04/386838404.db2.gz WSXUYAUQCTXDLQ-UHFFFAOYSA-N 1 2 237.303 0.771 20 0 BCADLO COCc1nsc(N2CC[NH+](C)CC2)n1 ZINC000301430718 386843763 /nfs/dbraw/zinc/84/37/63/386843763.db2.gz JMZZRPSPGSAEMD-UHFFFAOYSA-N 1 2 228.321 0.436 20 0 BCADLO C[C@@H]1[N@H+](CC(=O)NC2CC2)CCOC1(C)C ZINC000335709347 386843885 /nfs/dbraw/zinc/84/38/85/386843885.db2.gz UWHVWYHLXSJWJN-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1[N@@H+](CC(=O)NC2CC2)CCOC1(C)C ZINC000335709347 386843890 /nfs/dbraw/zinc/84/38/90/386843890.db2.gz UWHVWYHLXSJWJN-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO CN(CC1(O)CCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000331363335 386844756 /nfs/dbraw/zinc/84/47/56/386844756.db2.gz AHHJDSYTDOLYGF-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCO[C@H](CO)C2)CC1 ZINC000331363837 386846581 /nfs/dbraw/zinc/84/65/81/386846581.db2.gz ARZHZFWGVUWDOV-JTQLQIEISA-N 1 2 243.303 0.023 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCO[C@H](CO)C2)CC1 ZINC000331363837 386846584 /nfs/dbraw/zinc/84/65/84/386846584.db2.gz ARZHZFWGVUWDOV-JTQLQIEISA-N 1 2 243.303 0.023 20 0 BCADLO CCC(CC)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623366780 386848750 /nfs/dbraw/zinc/84/87/50/386848750.db2.gz IZNSLYSEEBUGFT-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO CCC(CC)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623366780 386848754 /nfs/dbraw/zinc/84/87/54/386848754.db2.gz IZNSLYSEEBUGFT-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO C[N@H+](Cc1ncnn1CC(F)F)C1(CO)CC1 ZINC000331435705 386854225 /nfs/dbraw/zinc/85/42/25/386854225.db2.gz DKFAGMIOYDIUOP-UHFFFAOYSA-N 1 2 246.261 0.500 20 0 BCADLO C[N@@H+](Cc1ncnn1CC(F)F)C1(CO)CC1 ZINC000331435705 386854231 /nfs/dbraw/zinc/85/42/31/386854231.db2.gz DKFAGMIOYDIUOP-UHFFFAOYSA-N 1 2 246.261 0.500 20 0 BCADLO CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@@H]2[NH3+])s[nH]1 ZINC000331470941 386859413 /nfs/dbraw/zinc/85/94/13/386859413.db2.gz JVUSPDAETMKQQK-RITPCOANSA-N 1 2 240.332 0.543 20 0 BCADLO CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000335744353 386862579 /nfs/dbraw/zinc/86/25/79/386862579.db2.gz PDFODKQVEGBGHJ-RKDXNWHRSA-N 1 2 215.297 0.025 20 0 BCADLO Cc1c[nH+]c([C@@H]2NC(=O)CN2CC(C)C)n1C ZINC000341297030 386865991 /nfs/dbraw/zinc/86/59/91/386865991.db2.gz XWMRUWJZINKNJW-GFCCVEGCSA-N 1 2 236.319 0.815 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425350674 386869706 /nfs/dbraw/zinc/86/97/06/386869706.db2.gz MIBZRJLUQUDGIU-JTQLQIEISA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425350674 386869710 /nfs/dbraw/zinc/86/97/10/386869710.db2.gz MIBZRJLUQUDGIU-JTQLQIEISA-N 1 2 238.291 0.478 20 0 BCADLO Cc1cccn2cc(CC(=O)N3CC(O)C3)[nH+]c12 ZINC000335748483 386872721 /nfs/dbraw/zinc/87/27/21/386872721.db2.gz UYPXYCNJGVRPLM-UHFFFAOYSA-N 1 2 245.282 0.388 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330809584 386894636 /nfs/dbraw/zinc/89/46/36/386894636.db2.gz BFIHUVBXYONEED-ZJUUUORDSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330809584 386894642 /nfs/dbraw/zinc/89/46/42/386894642.db2.gz BFIHUVBXYONEED-ZJUUUORDSA-N 1 2 246.376 0.311 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000334835385 386875732 /nfs/dbraw/zinc/87/57/32/386875732.db2.gz HQKTUQGQMNWNAH-LLVKDONJSA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000334835385 386875734 /nfs/dbraw/zinc/87/57/34/386875734.db2.gz HQKTUQGQMNWNAH-LLVKDONJSA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000334835386 386875949 /nfs/dbraw/zinc/87/59/49/386875949.db2.gz HQKTUQGQMNWNAH-NSHDSACASA-N 1 2 238.287 0.535 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000334835386 386875952 /nfs/dbraw/zinc/87/59/52/386875952.db2.gz HQKTUQGQMNWNAH-NSHDSACASA-N 1 2 238.287 0.535 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331627214 386876983 /nfs/dbraw/zinc/87/69/83/386876983.db2.gz KVFDUAMDRHJBRS-NSHDSACASA-N 1 2 240.307 0.901 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331627214 386876987 /nfs/dbraw/zinc/87/69/87/386876987.db2.gz KVFDUAMDRHJBRS-NSHDSACASA-N 1 2 240.307 0.901 20 0 BCADLO COC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000293795683 386881412 /nfs/dbraw/zinc/88/14/12/386881412.db2.gz BCKWKLGRZPFKRJ-VIFPVBQESA-N 1 2 223.276 0.508 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC1CC1 ZINC000293803714 386882310 /nfs/dbraw/zinc/88/23/10/386882310.db2.gz PUUAEXGRRXFREE-ONEGZZNKSA-N 1 2 207.233 0.881 20 0 BCADLO Nc1nc(NCCOCCO)[nH+]c2ccccc12 ZINC000301898554 386889802 /nfs/dbraw/zinc/88/98/02/386889802.db2.gz XARYVRPBRURHSH-UHFFFAOYSA-N 1 2 248.286 0.633 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOCC1CC1 ZINC000293863378 386890872 /nfs/dbraw/zinc/89/08/72/386890872.db2.gz WDLJIGLOQMNIMY-UHFFFAOYSA-N 1 2 209.249 0.731 20 0 BCADLO COC[C@@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OC ZINC000336762076 386915981 /nfs/dbraw/zinc/91/59/81/386915981.db2.gz KZMLUSSQSCVOKY-NXEZZACHSA-N 1 2 231.292 0.191 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1nccc(CO)n1 ZINC000341377221 386896916 /nfs/dbraw/zinc/89/69/16/386896916.db2.gz RLIOZDCLXKLTHI-UHFFFAOYSA-N 1 2 233.275 0.339 20 0 BCADLO CCc1nnc(C[N@H+](C)C2CC(O)C2)[nH]1 ZINC000331768784 386897730 /nfs/dbraw/zinc/89/77/30/386897730.db2.gz LCVMCOFXZVEJFA-UHFFFAOYSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2CC(O)C2)[nH]1 ZINC000331768784 386897733 /nfs/dbraw/zinc/89/77/33/386897733.db2.gz LCVMCOFXZVEJFA-UHFFFAOYSA-N 1 2 210.281 0.322 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC000341390368 386899855 /nfs/dbraw/zinc/89/98/55/386899855.db2.gz FVWYSYXBOXCKKS-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2C(=O)NCC[C@H]2C)n1C ZINC000341398937 386904086 /nfs/dbraw/zinc/90/40/86/386904086.db2.gz FAXNHQNDSGZOGB-LDYMZIIASA-N 1 2 236.319 0.343 20 0 BCADLO CC(C)n1nnnc1C[N@H+](CCO)C1CCC1 ZINC000331794564 386905552 /nfs/dbraw/zinc/90/55/52/386905552.db2.gz QNQGSIWLPZIOIY-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](CCO)C1CCC1 ZINC000331794564 386905555 /nfs/dbraw/zinc/90/55/55/386905555.db2.gz QNQGSIWLPZIOIY-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO Cc1occc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000334855524 386907804 /nfs/dbraw/zinc/90/78/04/386907804.db2.gz YKZGKXNSWCAFSK-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1occc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000334855524 386907808 /nfs/dbraw/zinc/90/78/08/386907808.db2.gz YKZGKXNSWCAFSK-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000331808046 386910587 /nfs/dbraw/zinc/91/05/87/386910587.db2.gz KUEWEVAIEYTXEZ-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000331808046 386910588 /nfs/dbraw/zinc/91/05/88/386910588.db2.gz KUEWEVAIEYTXEZ-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331807080 386910966 /nfs/dbraw/zinc/91/09/66/386910966.db2.gz UAPXOWWZRUSUAY-AFPNSQJFSA-N 1 2 241.291 0.732 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331807080 386910970 /nfs/dbraw/zinc/91/09/70/386910970.db2.gz UAPXOWWZRUSUAY-AFPNSQJFSA-N 1 2 241.291 0.732 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC1 ZINC000341552364 386925619 /nfs/dbraw/zinc/92/56/19/386925619.db2.gz QIAQEBKQWIERNM-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccoc1 ZINC000330943544 386926614 /nfs/dbraw/zinc/92/66/14/386926614.db2.gz HRGKTFQBRVGQON-SSDOTTSWSA-N 1 2 225.248 0.709 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccoc1 ZINC000330943544 386926617 /nfs/dbraw/zinc/92/66/17/386926617.db2.gz HRGKTFQBRVGQON-SSDOTTSWSA-N 1 2 225.248 0.709 20 0 BCADLO C[C@@H](CO)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330966026 386930518 /nfs/dbraw/zinc/93/05/18/386930518.db2.gz LAWMKXPBYNCJKR-MRVPVSSYSA-N 1 2 225.292 0.432 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H]1CCCO1 ZINC000116286894 386931600 /nfs/dbraw/zinc/93/16/00/386931600.db2.gz LQLZZLPOAJMKIX-DCAQKATOSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000116286894 386931603 /nfs/dbraw/zinc/93/16/03/386931603.db2.gz LQLZZLPOAJMKIX-DCAQKATOSA-N 1 2 243.303 0.428 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000335834026 386934500 /nfs/dbraw/zinc/93/45/00/386934500.db2.gz IZINAFAMRYSNAP-BDJLRTHQSA-N 1 2 241.360 0.644 20 0 BCADLO Cc1cnn(CC[N@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000335834026 386934504 /nfs/dbraw/zinc/93/45/04/386934504.db2.gz IZINAFAMRYSNAP-BDJLRTHQSA-N 1 2 241.360 0.644 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000330927187 386934906 /nfs/dbraw/zinc/93/49/06/386934906.db2.gz JVAREAWJQMXJKE-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000330927187 386934910 /nfs/dbraw/zinc/93/49/10/386934910.db2.gz JVAREAWJQMXJKE-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330972892 386939008 /nfs/dbraw/zinc/93/90/08/386939008.db2.gz SITSPJVZEWFDLK-SECBINFHSA-N 1 2 239.319 0.917 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(O)CCC2)[nH]1 ZINC000332013816 386940410 /nfs/dbraw/zinc/94/04/10/386940410.db2.gz RROBOJYVYQIEAH-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(O)CCC2)[nH]1 ZINC000332013816 386940412 /nfs/dbraw/zinc/94/04/12/386940412.db2.gz RROBOJYVYQIEAH-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330980493 386940987 /nfs/dbraw/zinc/94/09/87/386940987.db2.gz PKKOTTTZZDMCIG-DTWKUNHWSA-N 1 2 239.319 0.820 20 0 BCADLO CN(CCCn1cc[nH+]c1)c1nccc(CO)n1 ZINC000341627195 386942344 /nfs/dbraw/zinc/94/23/44/386942344.db2.gz IOFSTRJASYGZKF-UHFFFAOYSA-N 1 2 247.302 0.692 20 0 BCADLO COC(=O)C(C)(C)CC[NH+]1CC(NC(C)=O)C1 ZINC000332025733 386944443 /nfs/dbraw/zinc/94/44/43/386944443.db2.gz ITLULQYORWSWSJ-UHFFFAOYSA-N 1 2 242.319 0.396 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334817421 386945448 /nfs/dbraw/zinc/94/54/48/386945448.db2.gz FDPNXTKHOIHQFL-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334817421 386945449 /nfs/dbraw/zinc/94/54/49/386945449.db2.gz FDPNXTKHOIHQFL-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000336762942 386945530 /nfs/dbraw/zinc/94/55/30/386945530.db2.gz OKIZEZVMMZTPNY-SCZZXKLOSA-N 1 2 235.349 0.642 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332065411 386953176 /nfs/dbraw/zinc/95/31/76/386953176.db2.gz ROASOIQMSFVBIU-UHFFFAOYSA-N 1 2 227.308 0.712 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332065411 386953179 /nfs/dbraw/zinc/95/31/79/386953179.db2.gz ROASOIQMSFVBIU-UHFFFAOYSA-N 1 2 227.308 0.712 20 0 BCADLO C[C@H](O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341723716 386954505 /nfs/dbraw/zinc/95/45/05/386954505.db2.gz XWEADEIEJSRWDT-CBAPKCEASA-N 1 2 223.276 0.368 20 0 BCADLO C[C@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341723717 386955457 /nfs/dbraw/zinc/95/54/57/386955457.db2.gz XWEADEIEJSRWDT-IONNQARKSA-N 1 2 223.276 0.368 20 0 BCADLO CCC[N@@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000334824956 386956800 /nfs/dbraw/zinc/95/68/00/386956800.db2.gz JOHADMZZRUZSTE-MWLCHTKSSA-N 1 2 212.293 0.723 20 0 BCADLO CCC[N@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000334824956 386956803 /nfs/dbraw/zinc/95/68/03/386956803.db2.gz JOHADMZZRUZSTE-MWLCHTKSSA-N 1 2 212.293 0.723 20 0 BCADLO CC(=O)NC1C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000332077408 386959246 /nfs/dbraw/zinc/95/92/46/386959246.db2.gz XNHPDAYFEJNTHB-QMMMGPOBSA-N 1 2 240.225 0.120 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000332138429 386962759 /nfs/dbraw/zinc/96/27/59/386962759.db2.gz LNMAJCJHOJZCOU-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000332138429 386962762 /nfs/dbraw/zinc/96/27/62/386962762.db2.gz LNMAJCJHOJZCOU-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000518973359 386963062 /nfs/dbraw/zinc/96/30/62/386963062.db2.gz QARSADVTCDQJIO-RKDXNWHRSA-N 1 2 239.275 0.450 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000331114273 386966225 /nfs/dbraw/zinc/96/62/25/386966225.db2.gz JZJNFLXJCUTIRU-SNVBAGLBSA-N 1 2 214.309 0.215 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000331114273 386966229 /nfs/dbraw/zinc/96/62/29/386966229.db2.gz JZJNFLXJCUTIRU-SNVBAGLBSA-N 1 2 214.309 0.215 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000341818876 386969524 /nfs/dbraw/zinc/96/95/24/386969524.db2.gz JBUYMCUVXJNRIB-WDEREUQCSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000332308433 386971572 /nfs/dbraw/zinc/97/15/72/386971572.db2.gz MHYJNZUDUSNAIX-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO Cn1nncc1C[NH+]1CC(CC(F)F)C1 ZINC000425363837 386972329 /nfs/dbraw/zinc/97/23/29/386972329.db2.gz DAFDCTUXVKJZRU-UHFFFAOYSA-N 1 2 216.235 0.902 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332360344 386974627 /nfs/dbraw/zinc/97/46/27/386974627.db2.gz JITAQWYLUFODAO-IONNQARKSA-N 1 2 239.275 0.729 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332360344 386974633 /nfs/dbraw/zinc/97/46/33/386974633.db2.gz JITAQWYLUFODAO-IONNQARKSA-N 1 2 239.275 0.729 20 0 BCADLO CC1(C)OCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000518990758 386976213 /nfs/dbraw/zinc/97/62/13/386976213.db2.gz QJWRLSRNTBTUEF-VIFPVBQESA-N 1 2 223.276 0.567 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CO ZINC000518998044 386980387 /nfs/dbraw/zinc/98/03/87/386980387.db2.gz FCMCLLCQVRGUGP-IUCAKERBSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CO ZINC000518998044 386980392 /nfs/dbraw/zinc/98/03/92/386980392.db2.gz FCMCLLCQVRGUGP-IUCAKERBSA-N 1 2 225.292 0.428 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCOCC2)s1 ZINC000368499716 386980414 /nfs/dbraw/zinc/98/04/14/386980414.db2.gz RYOOJBVFHZMUDL-UHFFFAOYSA-N 1 2 215.278 0.466 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCOCC2)s1 ZINC000368499716 386980421 /nfs/dbraw/zinc/98/04/21/386980421.db2.gz RYOOJBVFHZMUDL-UHFFFAOYSA-N 1 2 215.278 0.466 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCCOCC2)S1 ZINC000368499716 386980425 /nfs/dbraw/zinc/98/04/25/386980425.db2.gz RYOOJBVFHZMUDL-UHFFFAOYSA-N 1 2 215.278 0.466 20 0 BCADLO O=C1N=NC(C[N@H+]2CCCOCC2)S1 ZINC000368499716 386980432 /nfs/dbraw/zinc/98/04/32/386980432.db2.gz RYOOJBVFHZMUDL-UHFFFAOYSA-N 1 2 215.278 0.466 20 0 BCADLO COC(=O)CC1([NH2+]Cc2noc(C)n2)CCC1 ZINC000353005736 386986847 /nfs/dbraw/zinc/98/68/47/386986847.db2.gz NYNCFHZCKRTDFY-UHFFFAOYSA-N 1 2 239.275 0.953 20 0 BCADLO CCOCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000519017606 386988541 /nfs/dbraw/zinc/98/85/41/386988541.db2.gz XLPNCXROUYRFON-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332599877 386992346 /nfs/dbraw/zinc/99/23/46/386992346.db2.gz AOUMWCJEAGAVPE-SNVBAGLBSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332599877 386992355 /nfs/dbraw/zinc/99/23/55/386992355.db2.gz AOUMWCJEAGAVPE-SNVBAGLBSA-N 1 2 243.332 0.337 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000368618134 386994659 /nfs/dbraw/zinc/99/46/59/386994659.db2.gz JDOJDIXRDDILMO-LBPRGKRZSA-N 1 2 246.326 0.698 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000368618134 386994662 /nfs/dbraw/zinc/99/46/62/386994662.db2.gz JDOJDIXRDDILMO-LBPRGKRZSA-N 1 2 246.326 0.698 20 0 BCADLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@@H]3C[C@@H]32)C1=O ZINC000368633486 386995789 /nfs/dbraw/zinc/99/57/89/386995789.db2.gz NOAMKYNPGQFKEZ-SDDRHHMPSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@@H]3C[C@@H]32)C1=O ZINC000368633486 386995794 /nfs/dbraw/zinc/99/57/94/386995794.db2.gz NOAMKYNPGQFKEZ-SDDRHHMPSA-N 1 2 238.331 0.859 20 0 BCADLO C[NH+](C)Cc1nc(Cn2cccn2)no1 ZINC000332635972 386996630 /nfs/dbraw/zinc/99/66/30/386996630.db2.gz JGVWTILWVXNLKV-UHFFFAOYSA-N 1 2 207.237 0.376 20 0 BCADLO Cn1nccc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334920241 386997358 /nfs/dbraw/zinc/99/73/58/386997358.db2.gz UHHMDEZSKVGVQE-NSHDSACASA-N 1 2 234.303 0.227 20 0 BCADLO Cn1nccc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334920241 386997360 /nfs/dbraw/zinc/99/73/60/386997360.db2.gz UHHMDEZSKVGVQE-NSHDSACASA-N 1 2 234.303 0.227 20 0 BCADLO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nnn(C)n1 ZINC000332685611 387000081 /nfs/dbraw/zinc/00/00/81/387000081.db2.gz UAISIRZAWBTEOL-NSHDSACASA-N 1 2 239.323 0.337 20 0 BCADLO CCC[C@@]1(CO)CCC[N@H+]1Cc1nnn(C)n1 ZINC000332685611 387000087 /nfs/dbraw/zinc/00/00/87/387000087.db2.gz UAISIRZAWBTEOL-NSHDSACASA-N 1 2 239.323 0.337 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000331262741 387000143 /nfs/dbraw/zinc/00/01/43/387000143.db2.gz DVGITVFFVKAAOX-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368789587 387008757 /nfs/dbraw/zinc/00/87/57/387008757.db2.gz GXRDCKXGFDTNLA-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368789587 387008762 /nfs/dbraw/zinc/00/87/62/387008762.db2.gz GXRDCKXGFDTNLA-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO CCn1c[nH+]cc1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000334933542 387008759 /nfs/dbraw/zinc/00/87/59/387008759.db2.gz XUYJLTCKUAWQFK-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccnn2C)C1 ZINC000332732616 387005238 /nfs/dbraw/zinc/00/52/38/387005238.db2.gz UXAADEPQCFUKDW-UWVGGRQHSA-N 1 2 238.291 0.545 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccnn2C)C1 ZINC000332732616 387005246 /nfs/dbraw/zinc/00/52/46/387005246.db2.gz UXAADEPQCFUKDW-UWVGGRQHSA-N 1 2 238.291 0.545 20 0 BCADLO COC[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000368165720 386948416 /nfs/dbraw/zinc/94/84/16/386948416.db2.gz SINZZLCDYITFMC-VIFPVBQESA-N 1 2 238.291 0.443 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)CO ZINC000331056135 386949223 /nfs/dbraw/zinc/94/92/23/386949223.db2.gz PPCXWZVRMURXFQ-NXEZZACHSA-N 1 2 239.319 0.486 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)N1CCCCC1 ZINC000333370692 387031531 /nfs/dbraw/zinc/03/15/31/387031531.db2.gz WDZQZGODCNZJPX-UHFFFAOYSA-N 1 2 247.364 0.012 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H](O)COCC)C(=O)OC ZINC000118005558 387035093 /nfs/dbraw/zinc/03/50/93/387035093.db2.gz JZRKVXUNWYCUCY-ZYHUDNBSSA-N 1 2 247.335 0.705 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)COCC(C)C ZINC000118002651 387038972 /nfs/dbraw/zinc/03/89/72/387038972.db2.gz SYAOUFOSUPGUAC-SNVBAGLBSA-N 1 2 247.335 0.561 20 0 BCADLO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)nc[nH+]1 ZINC000228094807 387066903 /nfs/dbraw/zinc/06/69/03/387066903.db2.gz CIDSLYHFXKXVQP-HBNTYKKESA-N 1 2 219.288 0.992 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCC1 ZINC000359085434 387054283 /nfs/dbraw/zinc/05/42/83/387054283.db2.gz IVAMPDULXHFUQQ-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(CCO)CC1 ZINC000157217299 387057449 /nfs/dbraw/zinc/05/74/49/387057449.db2.gz XWXZBVPLDOTUNG-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO Cc1ocnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359117614 387058180 /nfs/dbraw/zinc/05/81/80/387058180.db2.gz JKSKFNUMGGMMFD-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1ocnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359117614 387058186 /nfs/dbraw/zinc/05/81/86/387058186.db2.gz JKSKFNUMGGMMFD-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000369690000 387060606 /nfs/dbraw/zinc/06/06/06/387060606.db2.gz CPDSBMYUXBSRDJ-NSHDSACASA-N 1 2 249.318 0.270 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000369690000 387060616 /nfs/dbraw/zinc/06/06/16/387060616.db2.gz CPDSBMYUXBSRDJ-NSHDSACASA-N 1 2 249.318 0.270 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cncc(F)c1 ZINC000334976272 387062382 /nfs/dbraw/zinc/06/23/82/387062382.db2.gz LKQGGWAKHGNBIW-VXGBXAGGSA-N 1 2 249.289 0.931 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cncc(F)c1 ZINC000334976272 387062384 /nfs/dbraw/zinc/06/23/84/387062384.db2.gz LKQGGWAKHGNBIW-VXGBXAGGSA-N 1 2 249.289 0.931 20 0 BCADLO CC[N@H+](CC(=O)N(C)C(C)C)[C@@H]1CCNC1=O ZINC000331301901 387009692 /nfs/dbraw/zinc/00/96/92/387009692.db2.gz PSXXGXYYWPKYCS-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C(C)C)[C@@H]1CCNC1=O ZINC000331301901 387009698 /nfs/dbraw/zinc/00/96/98/387009698.db2.gz PSXXGXYYWPKYCS-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331296174 387009756 /nfs/dbraw/zinc/00/97/56/387009756.db2.gz NYJTXWAQZHJKKM-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331296174 387009760 /nfs/dbraw/zinc/00/97/60/387009760.db2.gz NYJTXWAQZHJKKM-LPEHRKFASA-N 1 2 245.319 0.144 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1(CO)CCCC1 ZINC000053066572 387009836 /nfs/dbraw/zinc/00/98/36/387009836.db2.gz LHQXWSSUQCLDNX-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368785679 387009840 /nfs/dbraw/zinc/00/98/40/387009840.db2.gz CIBDMURSJQWSFW-SNVBAGLBSA-N 1 2 227.304 0.786 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368785679 387009847 /nfs/dbraw/zinc/00/98/47/387009847.db2.gz CIBDMURSJQWSFW-SNVBAGLBSA-N 1 2 227.304 0.786 20 0 BCADLO O=[S@]1CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000333008307 387011948 /nfs/dbraw/zinc/01/19/48/387011948.db2.gz FHHOJFWIOUPDCF-XLFHBGCDSA-N 1 2 247.323 0.985 20 0 BCADLO CS(=O)(=O)N1CC[C@H](Cn2cc[nH+]c2)C1 ZINC000334935784 387013235 /nfs/dbraw/zinc/01/32/35/387013235.db2.gz SEYNESVQKFXFHP-SECBINFHSA-N 1 2 229.305 0.165 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)C1CC1 ZINC000358804275 387015882 /nfs/dbraw/zinc/01/58/82/387015882.db2.gz DPLKYHDEEWBEKQ-MNOVXSKESA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000334943289 387019720 /nfs/dbraw/zinc/01/97/20/387019720.db2.gz IRDYWXYYYHXUOL-PWSUYJOCSA-N 1 2 244.310 0.402 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000334943289 387019722 /nfs/dbraw/zinc/01/97/22/387019722.db2.gz IRDYWXYYYHXUOL-PWSUYJOCSA-N 1 2 244.310 0.402 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898926 387021640 /nfs/dbraw/zinc/02/16/40/387021640.db2.gz JJEVKRNBKGNJIR-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898926 387021644 /nfs/dbraw/zinc/02/16/44/387021644.db2.gz JJEVKRNBKGNJIR-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368967304 387022945 /nfs/dbraw/zinc/02/29/45/387022945.db2.gz WQPUZKJLGBXQKU-MVWJERBFSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368967304 387022947 /nfs/dbraw/zinc/02/29/47/387022947.db2.gz WQPUZKJLGBXQKU-MVWJERBFSA-N 1 2 248.330 0.804 20 0 BCADLO COc1ncccc1CNC(=O)Cn1cc[nH+]c1 ZINC000514640960 387022980 /nfs/dbraw/zinc/02/29/80/387022980.db2.gz XGWWOTJBSWUORY-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO COC(=O)C1(C)CN(Cc2c[nH+]cn2C)C1 ZINC000425369934 387026892 /nfs/dbraw/zinc/02/68/92/387026892.db2.gz BKDNWSRCRXMJTP-UHFFFAOYSA-N 1 2 223.276 0.415 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C)C1 ZINC000519178972 387028474 /nfs/dbraw/zinc/02/84/74/387028474.db2.gz SIAFYDZTPDWHIG-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C)C1 ZINC000519178972 387028476 /nfs/dbraw/zinc/02/84/76/387028476.db2.gz SIAFYDZTPDWHIG-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCC(=O)N1 ZINC000333344372 387029010 /nfs/dbraw/zinc/02/90/10/387029010.db2.gz UGKVEUKDSCVICQ-MRVPVSSYSA-N 1 2 236.275 0.085 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1ccon1 ZINC000334988421 387076990 /nfs/dbraw/zinc/07/69/90/387076990.db2.gz WBCKXIKPDBXKFI-VIFPVBQESA-N 1 2 214.290 0.584 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1ccon1 ZINC000334988421 387076994 /nfs/dbraw/zinc/07/69/94/387076994.db2.gz WBCKXIKPDBXKFI-VIFPVBQESA-N 1 2 214.290 0.584 20 0 BCADLO CO[C@H](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000369920650 387077673 /nfs/dbraw/zinc/07/76/73/387077673.db2.gz QNWYEZZMWYVETH-SNVBAGLBSA-N 1 2 237.303 0.959 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000228288894 387086214 /nfs/dbraw/zinc/08/62/14/387086214.db2.gz NSRKBUFDKGSKNA-QWRGUYRKSA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000228288894 387086217 /nfs/dbraw/zinc/08/62/17/387086217.db2.gz NSRKBUFDKGSKNA-QWRGUYRKSA-N 1 2 242.319 0.539 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000334998659 387090086 /nfs/dbraw/zinc/09/00/86/387090086.db2.gz ICFQFQHUQCUHDE-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334998659 387090091 /nfs/dbraw/zinc/09/00/91/387090091.db2.gz ICFQFQHUQCUHDE-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO Cc1ccc(C[N@@H+](CCO)CC(=O)N(C)C)o1 ZINC000352340799 387092701 /nfs/dbraw/zinc/09/27/01/387092701.db2.gz DQFNNWAVPVSSLO-UHFFFAOYSA-N 1 2 240.303 0.471 20 0 BCADLO Cc1ccc(C[N@H+](CCO)CC(=O)N(C)C)o1 ZINC000352340799 387092706 /nfs/dbraw/zinc/09/27/06/387092706.db2.gz DQFNNWAVPVSSLO-UHFFFAOYSA-N 1 2 240.303 0.471 20 0 BCADLO COCC[C@]1([NH2+]Cc2nc(C)no2)CCOC1 ZINC000352348845 387092872 /nfs/dbraw/zinc/09/28/72/387092872.db2.gz GDUHQJLHUAXCJK-NSHDSACASA-N 1 2 241.291 0.663 20 0 BCADLO COCC[C@@]1([NH2+]Cc2nc(C)no2)CCOC1 ZINC000352348844 387093445 /nfs/dbraw/zinc/09/34/45/387093445.db2.gz GDUHQJLHUAXCJK-LLVKDONJSA-N 1 2 241.291 0.663 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067457189 387095692 /nfs/dbraw/zinc/09/56/92/387095692.db2.gz MQPJFVUAJJYRKG-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000067457189 387095697 /nfs/dbraw/zinc/09/56/97/387095697.db2.gz MQPJFVUAJJYRKG-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N(C)C ZINC000186397574 387100225 /nfs/dbraw/zinc/10/02/25/387100225.db2.gz LBBWAEYJFFZAIC-LLVKDONJSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N(C)C ZINC000186397574 387100228 /nfs/dbraw/zinc/10/02/28/387100228.db2.gz LBBWAEYJFFZAIC-LLVKDONJSA-N 1 2 228.292 0.102 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336269661 387103862 /nfs/dbraw/zinc/10/38/62/387103862.db2.gz UCXMWBWWOVMUAB-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336269661 387103867 /nfs/dbraw/zinc/10/38/67/387103867.db2.gz UCXMWBWWOVMUAB-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cncc(C(N)=O)n1 ZINC000359454854 387104809 /nfs/dbraw/zinc/10/48/09/387104809.db2.gz KHZDRVPQHQUDOX-MRVPVSSYSA-N 1 2 246.274 0.273 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C[C@H](O)C(F)(F)F ZINC000193386221 387108899 /nfs/dbraw/zinc/10/88/99/387108899.db2.gz BJMNYVUAGWJQQI-ZETCQYMHSA-N 1 2 223.198 0.765 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)C1CC(=O)C1 ZINC000370365576 387111448 /nfs/dbraw/zinc/11/14/48/387111448.db2.gz GILZGJFNOSVJMA-SECBINFHSA-N 1 2 233.271 0.293 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000186608988 387117124 /nfs/dbraw/zinc/11/71/24/387117124.db2.gz VCOYNSGNUDJCGW-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000186608988 387117128 /nfs/dbraw/zinc/11/71/28/387117128.db2.gz VCOYNSGNUDJCGW-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO CCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000071912659 387124969 /nfs/dbraw/zinc/12/49/69/387124969.db2.gz LLEBNTOBPRCOEM-LLVKDONJSA-N 1 2 243.351 0.806 20 0 BCADLO CCCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000057612831 387142282 /nfs/dbraw/zinc/14/22/82/387142282.db2.gz QPGIILRXAAHAJM-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000353123248 387142665 /nfs/dbraw/zinc/14/26/65/387142665.db2.gz GJCDQPOMFFCXPL-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571698546 387148891 /nfs/dbraw/zinc/14/88/91/387148891.db2.gz ROEWFQNPZNPPGC-MRVPVSSYSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571698546 387148897 /nfs/dbraw/zinc/14/88/97/387148897.db2.gz ROEWFQNPZNPPGC-MRVPVSSYSA-N 1 2 247.302 0.936 20 0 BCADLO FC(F)CN1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000418127703 387155606 /nfs/dbraw/zinc/15/56/06/387155606.db2.gz AEWPIKMHGAGCTG-VIFPVBQESA-N 1 2 230.262 0.839 20 0 BCADLO Cc1cnc(C[N@H+](C)CCC(N)=O)nc1 ZINC000353199575 387156056 /nfs/dbraw/zinc/15/60/56/387156056.db2.gz JVWUQGMUXAWIGF-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCC(N)=O)nc1 ZINC000353199575 387156063 /nfs/dbraw/zinc/15/60/63/387156063.db2.gz JVWUQGMUXAWIGF-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371182487 387162218 /nfs/dbraw/zinc/16/22/18/387162218.db2.gz CZHSCRNRFONGCN-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000371182487 387162227 /nfs/dbraw/zinc/16/22/27/387162227.db2.gz CZHSCRNRFONGCN-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CSCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336338186 387162452 /nfs/dbraw/zinc/16/24/52/387162452.db2.gz BMUIIRUTOGBIKQ-ZETCQYMHSA-N 1 2 225.317 0.746 20 0 BCADLO CSCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336338186 387162456 /nfs/dbraw/zinc/16/24/56/387162456.db2.gz BMUIIRUTOGBIKQ-ZETCQYMHSA-N 1 2 225.317 0.746 20 0 BCADLO COCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571775271 387168389 /nfs/dbraw/zinc/16/83/89/387168389.db2.gz ZNZSPODBQIRSSJ-QMMMGPOBSA-N 1 2 211.265 0.351 20 0 BCADLO COCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571775271 387168393 /nfs/dbraw/zinc/16/83/93/387168393.db2.gz ZNZSPODBQIRSSJ-QMMMGPOBSA-N 1 2 211.265 0.351 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000359830522 387170911 /nfs/dbraw/zinc/17/09/11/387170911.db2.gz ISHLIIVFCHFLBA-VXGBXAGGSA-N 1 2 240.347 0.871 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000371200337 387172438 /nfs/dbraw/zinc/17/24/38/387172438.db2.gz ZPEQYWHZAFJFJN-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@H]2C)o1 ZINC000371200337 387172443 /nfs/dbraw/zinc/17/24/43/387172443.db2.gz ZPEQYWHZAFJFJN-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)no1 ZINC000371200008 387172688 /nfs/dbraw/zinc/17/26/88/387172688.db2.gz XRNQTZTXPQJSHC-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)no1 ZINC000371200008 387172691 /nfs/dbraw/zinc/17/26/91/387172691.db2.gz XRNQTZTXPQJSHC-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000371200338 387172744 /nfs/dbraw/zinc/17/27/44/387172744.db2.gz ZPEQYWHZAFJFJN-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000371200338 387172748 /nfs/dbraw/zinc/17/27/48/387172748.db2.gz ZPEQYWHZAFJFJN-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000353316682 387178554 /nfs/dbraw/zinc/17/85/54/387178554.db2.gz RLENLZNMNCGWBT-MRVPVSSYSA-N 1 2 229.280 0.683 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000353316682 387178557 /nfs/dbraw/zinc/17/85/57/387178557.db2.gz RLENLZNMNCGWBT-MRVPVSSYSA-N 1 2 229.280 0.683 20 0 BCADLO CCOC1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000571871203 387182225 /nfs/dbraw/zinc/18/22/25/387182225.db2.gz KMXYZCALENUETF-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)c(C)n1 ZINC000359894739 387187063 /nfs/dbraw/zinc/18/70/63/387187063.db2.gz CXDZNVUOMLWKSI-ZDUSSCGKSA-N 1 2 236.315 0.892 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)c(C)n1 ZINC000359894739 387187068 /nfs/dbraw/zinc/18/70/68/387187068.db2.gz CXDZNVUOMLWKSI-ZDUSSCGKSA-N 1 2 236.315 0.892 20 0 BCADLO CC(C)n1cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn1 ZINC000290109892 387188270 /nfs/dbraw/zinc/18/82/70/387188270.db2.gz KYWKMHQIOPNSCC-VIFPVBQESA-N 1 2 239.323 0.425 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336359105 387188534 /nfs/dbraw/zinc/18/85/34/387188534.db2.gz DIYWRZNGSZTEHM-QWRGUYRKSA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336359105 387188536 /nfs/dbraw/zinc/18/85/36/387188536.db2.gz DIYWRZNGSZTEHM-QWRGUYRKSA-N 1 2 226.320 0.766 20 0 BCADLO C[N@H+](Cc1nccs1)[C@@]1(CO)CCOC1 ZINC000359605389 387134005 /nfs/dbraw/zinc/13/40/05/387134005.db2.gz UYUNUUMGRIEASR-SNVBAGLBSA-N 1 2 228.317 0.726 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@@]1(CO)CCOC1 ZINC000359605389 387134007 /nfs/dbraw/zinc/13/40/07/387134007.db2.gz UYUNUUMGRIEASR-SNVBAGLBSA-N 1 2 228.317 0.726 20 0 BCADLO CCC(CC)[N@H+](CCOC)Cc1nnn(C)n1 ZINC000193336177 387209583 /nfs/dbraw/zinc/20/95/83/387209583.db2.gz BZWXOACKCJAUSG-UHFFFAOYSA-N 1 2 241.339 0.847 20 0 BCADLO CCC(CC)[N@@H+](CCOC)Cc1nnn(C)n1 ZINC000193336177 387209588 /nfs/dbraw/zinc/20/95/88/387209588.db2.gz BZWXOACKCJAUSG-UHFFFAOYSA-N 1 2 241.339 0.847 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2ccccc2)nc1=O ZINC000353478115 387210811 /nfs/dbraw/zinc/21/08/11/387210811.db2.gz SFQOPUUSEXAXEG-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2ccccc2)nc1=O ZINC000353478115 387210813 /nfs/dbraw/zinc/21/08/13/387210813.db2.gz SFQOPUUSEXAXEG-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230012878 387225635 /nfs/dbraw/zinc/22/56/35/387225635.db2.gz SQFSMWINYMCWBI-NWDGAFQWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230012878 387225642 /nfs/dbraw/zinc/22/56/42/387225642.db2.gz SQFSMWINYMCWBI-NWDGAFQWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)n(C)n1 ZINC000230010852 387226515 /nfs/dbraw/zinc/22/65/15/387226515.db2.gz CJFKMHYJOGNKRU-ZYHUDNBSSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)n(C)n1 ZINC000230010852 387226518 /nfs/dbraw/zinc/22/65/18/387226518.db2.gz CJFKMHYJOGNKRU-ZYHUDNBSSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000230013006 387226527 /nfs/dbraw/zinc/22/65/27/387226527.db2.gz GAGGDAICHVAMEL-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000230013006 387226532 /nfs/dbraw/zinc/22/65/32/387226532.db2.gz GAGGDAICHVAMEL-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H](CO)O1 ZINC000230009357 387227264 /nfs/dbraw/zinc/22/72/64/387227264.db2.gz SQVAKLWDAYLTOV-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H](CO)O1 ZINC000230009357 387227269 /nfs/dbraw/zinc/22/72/69/387227269.db2.gz SQVAKLWDAYLTOV-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO Cn1cc(C[N@@H+]2CCOCC3(CC3)C2)nn1 ZINC000360096401 387227888 /nfs/dbraw/zinc/22/78/88/387227888.db2.gz GDCQNQYESJUOAB-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1cc(C[N@H+]2CCOCC3(CC3)C2)nn1 ZINC000360096401 387227892 /nfs/dbraw/zinc/22/78/92/387227892.db2.gz GDCQNQYESJUOAB-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000360262260 387253311 /nfs/dbraw/zinc/25/33/11/387253311.db2.gz RDTFAESAPBFQHP-RKDXNWHRSA-N 1 2 225.292 0.945 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000360262260 387253313 /nfs/dbraw/zinc/25/33/13/387253313.db2.gz RDTFAESAPBFQHP-RKDXNWHRSA-N 1 2 225.292 0.945 20 0 BCADLO C[C@@H](CC(=O)NCc1[nH+]ccn1C)n1cccn1 ZINC000424642524 387230839 /nfs/dbraw/zinc/23/08/39/387230839.db2.gz KHHSCPSQCRMTOW-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(C)=O)CC1 ZINC000336403119 387232349 /nfs/dbraw/zinc/23/23/49/387232349.db2.gz FUVJKDJRTBCFEA-JTQLQIEISA-N 1 2 202.273 0.899 20 0 BCADLO CC(C)=CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000360154456 387234272 /nfs/dbraw/zinc/23/42/72/387234272.db2.gz SCOWUYVHUKWMKY-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2nnc[nH]2)cc[nH+]1 ZINC000371651279 387237665 /nfs/dbraw/zinc/23/76/65/387237665.db2.gz ONNUAANNXLHOMT-VHSXEESVSA-N 1 2 243.270 0.672 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(C)nn1C ZINC000572122183 387239336 /nfs/dbraw/zinc/23/93/36/387239336.db2.gz YEEIBVGNJGWXEY-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(C)nn1C ZINC000572122183 387239338 /nfs/dbraw/zinc/23/93/38/387239338.db2.gz YEEIBVGNJGWXEY-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CCS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371699835 387241243 /nfs/dbraw/zinc/24/12/43/387241243.db2.gz KHZUFOAFFHORSN-UHFFFAOYSA-N 1 2 229.305 0.357 20 0 BCADLO COC(=O)CC1([NH2+]Cc2ccn[nH]2)CC1 ZINC000572125324 387241529 /nfs/dbraw/zinc/24/15/29/387241529.db2.gz XDVMHFVSIIXZJM-UHFFFAOYSA-N 1 2 209.249 0.595 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCn2cnnc2C1 ZINC000353621239 387243892 /nfs/dbraw/zinc/24/38/92/387243892.db2.gz GWBJAFDBQNETAT-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccncc1C[N@H+]1CCn2cnnc2C1 ZINC000353621239 387243895 /nfs/dbraw/zinc/24/38/95/387243895.db2.gz GWBJAFDBQNETAT-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)n1cccn1 ZINC000424589281 387196019 /nfs/dbraw/zinc/19/60/19/387196019.db2.gz XAVQQQIBIQABPO-LLVKDONJSA-N 1 2 247.302 0.847 20 0 BCADLO Cc1cnoc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371349937 387198165 /nfs/dbraw/zinc/19/81/65/387198165.db2.gz NYJBRKWYOILQKY-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cnoc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371349937 387198168 /nfs/dbraw/zinc/19/81/68/387198168.db2.gz NYJBRKWYOILQKY-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO COC(C[N@@H+]1CCO[C@H](COC(C)C)C1)OC ZINC000372548060 387309773 /nfs/dbraw/zinc/30/97/73/387309773.db2.gz PTQNKLAUHYOVSR-NSHDSACASA-N 1 2 247.335 0.731 20 0 BCADLO COC(C[N@H+]1CCO[C@H](COC(C)C)C1)OC ZINC000372548060 387309775 /nfs/dbraw/zinc/30/97/75/387309775.db2.gz PTQNKLAUHYOVSR-NSHDSACASA-N 1 2 247.335 0.731 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000336485375 387314167 /nfs/dbraw/zinc/31/41/67/387314167.db2.gz XONIIRQSZKJAQP-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@@H](CF)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360593139 387316504 /nfs/dbraw/zinc/31/65/04/387316504.db2.gz FCJSMRVEOXUEBQ-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO c1coc([C@@H]2C[N@H+](CCn3cncn3)CCO2)c1 ZINC000371886428 387254825 /nfs/dbraw/zinc/25/48/25/387254825.db2.gz UGVVBNABTSOKSN-LBPRGKRZSA-N 1 2 248.286 0.945 20 0 BCADLO c1coc([C@@H]2C[N@@H+](CCn3cncn3)CCO2)c1 ZINC000371886428 387254830 /nfs/dbraw/zinc/25/48/30/387254830.db2.gz UGVVBNABTSOKSN-LBPRGKRZSA-N 1 2 248.286 0.945 20 0 BCADLO O=C1OC[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000371989294 387263381 /nfs/dbraw/zinc/26/33/81/387263381.db2.gz ZJNMSQLXBRDGAZ-MRVPVSSYSA-N 1 2 222.248 0.046 20 0 BCADLO CC(C)(O)CC(=O)NCCCCn1cc[nH+]c1 ZINC000525922703 387265863 /nfs/dbraw/zinc/26/58/63/387265863.db2.gz PKXJYLRVEUULGA-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nccc(N)n1 ZINC000285472464 387268183 /nfs/dbraw/zinc/26/81/83/387268183.db2.gz AWRWWWGGMKTAHL-QMMMGPOBSA-N 1 2 210.281 0.526 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nccc(N)n1 ZINC000285472464 387268190 /nfs/dbraw/zinc/26/81/90/387268190.db2.gz AWRWWWGGMKTAHL-QMMMGPOBSA-N 1 2 210.281 0.526 20 0 BCADLO COC(=O)c1coc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000353770739 387272277 /nfs/dbraw/zinc/27/22/77/387272277.db2.gz HSBDHDLAAAUCJW-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO CO[C@H](C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000525928852 387277403 /nfs/dbraw/zinc/27/74/03/387277403.db2.gz KVEXWMKVBDTIIU-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372349242 387293808 /nfs/dbraw/zinc/29/38/08/387293808.db2.gz SBSRCZKNHKNPAV-MWLCHTKSSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372349242 387293812 /nfs/dbraw/zinc/29/38/12/387293812.db2.gz SBSRCZKNHKNPAV-MWLCHTKSSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000372349238 387294374 /nfs/dbraw/zinc/29/43/74/387294374.db2.gz SBSRCZKNHKNPAV-GXSJLCMTSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000372349238 387294380 /nfs/dbraw/zinc/29/43/80/387294380.db2.gz SBSRCZKNHKNPAV-GXSJLCMTSA-N 1 2 235.287 0.558 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCO[C@@H]1C)CC2 ZINC000373301433 387356231 /nfs/dbraw/zinc/35/62/31/387356231.db2.gz LAIFFCXYQZLQOL-MNOVXSKESA-N 1 2 249.314 0.959 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCCOCC2CC2)C1 ZINC000515309878 387358245 /nfs/dbraw/zinc/35/82/45/387358245.db2.gz KXQMNXKQADXCCG-UHFFFAOYSA-N 1 2 240.347 0.871 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000373402153 387364336 /nfs/dbraw/zinc/36/43/36/387364336.db2.gz GZGMWAJIJQKUJJ-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000373402153 387364338 /nfs/dbraw/zinc/36/43/38/387364338.db2.gz GZGMWAJIJQKUJJ-ZYHUDNBSSA-N 1 2 240.347 0.964 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354362463 387365287 /nfs/dbraw/zinc/36/52/87/387365287.db2.gz NDUIJQZCXXVCJM-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)cn1 ZINC000360972552 387376956 /nfs/dbraw/zinc/37/69/56/387376956.db2.gz BEKPZZJKRFVHHC-CMPLNLGQSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)cn1 ZINC000360972552 387376958 /nfs/dbraw/zinc/37/69/58/387376958.db2.gz BEKPZZJKRFVHHC-CMPLNLGQSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000360608625 387322699 /nfs/dbraw/zinc/32/26/99/387322699.db2.gz VWWQTNNZBNTUKT-RKDXNWHRSA-N 1 2 225.267 0.920 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCOCC12CC2 ZINC000336513480 387337564 /nfs/dbraw/zinc/33/75/64/387337564.db2.gz WHRRACDDJRODTM-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCOCC12CC2 ZINC000336513480 387337567 /nfs/dbraw/zinc/33/75/67/387337567.db2.gz WHRRACDDJRODTM-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO CC1(C)C[S@](=O)CCN1CCn1cc[nH+]c1 ZINC000336513522 387337638 /nfs/dbraw/zinc/33/76/38/387337638.db2.gz OEAGXODSQCJEPF-MRXNPFEDSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000336513522 387337647 /nfs/dbraw/zinc/33/76/47/387337647.db2.gz OEAGXODSQCJEPF-MRXNPFEDSA-N 1 2 241.360 0.726 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1CCn1ccnc1 ZINC000336513522 387337651 /nfs/dbraw/zinc/33/76/51/387337651.db2.gz OEAGXODSQCJEPF-MRXNPFEDSA-N 1 2 241.360 0.726 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000354207087 387346566 /nfs/dbraw/zinc/34/65/66/387346566.db2.gz DRKGLDCFWGUIFM-QUCGXOGASA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H]([NH2+]Cc1cnn(C)n1)C(=O)NC(C)(C)C ZINC000287353853 387424213 /nfs/dbraw/zinc/42/42/13/387424213.db2.gz XRPLQUZVPPMODR-QMMMGPOBSA-N 1 2 239.323 0.208 20 0 BCADLO Cn1ccc(CCNC(=O)CCn2cc[nH+]c2)n1 ZINC000354760316 387427463 /nfs/dbraw/zinc/42/74/63/387427463.db2.gz YIUYJORBXUUFMJ-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO CC[C@H](NC(=O)[C@H](O)C(C)C)c1[nH]cc[nH+]1 ZINC000354763737 387428296 /nfs/dbraw/zinc/42/82/96/387428296.db2.gz DBFHQGMHSHOTJI-DTWKUNHWSA-N 1 2 225.292 0.994 20 0 BCADLO CC[C@H](CSC)[N@H+](C)Cc1nnn(C)n1 ZINC000194450220 387433300 /nfs/dbraw/zinc/43/33/00/387433300.db2.gz CLNNSRJCDDGPEK-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@H](CSC)[N@@H+](C)Cc1nnn(C)n1 ZINC000194450220 387433303 /nfs/dbraw/zinc/43/33/03/387433303.db2.gz CLNNSRJCDDGPEK-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000354839701 387436723 /nfs/dbraw/zinc/43/67/23/387436723.db2.gz QLLNBSCYVIYOCT-IMSIIYSGSA-N 1 2 219.350 0.600 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000354839701 387436727 /nfs/dbraw/zinc/43/67/27/387436727.db2.gz QLLNBSCYVIYOCT-IMSIIYSGSA-N 1 2 219.350 0.600 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698484 387442862 /nfs/dbraw/zinc/44/28/62/387442862.db2.gz MZUQPPXQYWQAJM-NXEZZACHSA-N 1 2 240.303 0.101 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698484 387442865 /nfs/dbraw/zinc/44/28/65/387442865.db2.gz MZUQPPXQYWQAJM-NXEZZACHSA-N 1 2 240.303 0.101 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000361349947 387445441 /nfs/dbraw/zinc/44/54/41/387445441.db2.gz AGIMYGFBNPQBEQ-JTQLQIEISA-N 1 2 248.286 0.243 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000361349947 387445444 /nfs/dbraw/zinc/44/54/44/387445444.db2.gz AGIMYGFBNPQBEQ-JTQLQIEISA-N 1 2 248.286 0.243 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423922959 387450760 /nfs/dbraw/zinc/45/07/60/387450760.db2.gz KGFBIMZZAJEKCR-RNJXMRFFSA-N 1 2 236.262 0.523 20 0 BCADLO CC(C)[C@@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352725503 387462227 /nfs/dbraw/zinc/46/22/27/387462227.db2.gz QIWOMWVLJYPDPB-SECBINFHSA-N 1 2 211.265 0.385 20 0 BCADLO CC(C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000336614088 387454810 /nfs/dbraw/zinc/45/48/10/387454810.db2.gz UNCMRUXOARWUBZ-SECBINFHSA-N 1 2 200.282 0.184 20 0 BCADLO CC(C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000336614088 387454812 /nfs/dbraw/zinc/45/48/12/387454812.db2.gz UNCMRUXOARWUBZ-SECBINFHSA-N 1 2 200.282 0.184 20 0 BCADLO Cn1nccc1C[N@@H+]1CCn2nncc2C1 ZINC000516086319 387457105 /nfs/dbraw/zinc/45/71/05/387457105.db2.gz QOLYSLFNLGQHJA-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1nccc1C[N@H+]1CCn2nncc2C1 ZINC000516086319 387457111 /nfs/dbraw/zinc/45/71/11/387457111.db2.gz QOLYSLFNLGQHJA-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361417254 387458922 /nfs/dbraw/zinc/45/89/22/387458922.db2.gz VYDAMAALDAIVCS-SECBINFHSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361417254 387458925 /nfs/dbraw/zinc/45/89/25/387458925.db2.gz VYDAMAALDAIVCS-SECBINFHSA-N 1 2 239.323 0.599 20 0 BCADLO COC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000515497233 387390221 /nfs/dbraw/zinc/39/02/21/387390221.db2.gz VBFQTXICJPIFJZ-ZETCQYMHSA-N 1 2 227.264 0.934 20 0 BCADLO COC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000515497233 387390228 /nfs/dbraw/zinc/39/02/28/387390228.db2.gz VBFQTXICJPIFJZ-ZETCQYMHSA-N 1 2 227.264 0.934 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373741650 387394084 /nfs/dbraw/zinc/39/40/84/387394084.db2.gz MWCCFTYKPGLJDW-MWLCHTKSSA-N 1 2 249.314 0.929 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(C(F)F)CC2)nc1=O ZINC000336571544 387395138 /nfs/dbraw/zinc/39/51/38/387395138.db2.gz LDJQNDONTDTXPW-UHFFFAOYSA-N 1 2 246.261 0.586 20 0 BCADLO CC(F)(F)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000373799578 387395542 /nfs/dbraw/zinc/39/55/42/387395542.db2.gz IUUWHOSYZYXQPK-VIFPVBQESA-N 1 2 247.289 0.148 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000374040422 387414323 /nfs/dbraw/zinc/41/43/23/387414323.db2.gz ROAJSCBQFUBXNX-ZANVPECISA-N 1 2 249.314 0.813 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395901690 387503469 /nfs/dbraw/zinc/50/34/69/387503469.db2.gz KPQYPLIDCMISHY-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395901690 387503474 /nfs/dbraw/zinc/50/34/74/387503474.db2.gz KPQYPLIDCMISHY-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000162684521 387507222 /nfs/dbraw/zinc/50/72/22/387507222.db2.gz YDQYMUDLMQZNRW-ZJUUUORDSA-N 1 2 243.303 0.871 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1ccnn1C ZINC000355276410 387509892 /nfs/dbraw/zinc/50/98/92/387509892.db2.gz BQJDMWVWHZECAK-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1ccnn1C ZINC000355276410 387509894 /nfs/dbraw/zinc/50/98/94/387509894.db2.gz BQJDMWVWHZECAK-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CSCC[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000361673115 387519826 /nfs/dbraw/zinc/51/98/26/387519826.db2.gz VAHBMHORGIVOQG-MRVPVSSYSA-N 1 2 243.332 0.562 20 0 BCADLO CSCC[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000361673116 387520063 /nfs/dbraw/zinc/52/00/63/387520063.db2.gz VAHBMHORGIVOQG-QMMMGPOBSA-N 1 2 243.332 0.562 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1CO ZINC000527191415 387525125 /nfs/dbraw/zinc/52/51/25/387525125.db2.gz SXLOSOCUMHLZPR-ONGXEEELSA-N 1 2 237.303 0.192 20 0 BCADLO CCCC[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192710160 387526460 /nfs/dbraw/zinc/52/64/60/387526460.db2.gz PJSHKIIYBLPZDY-UHFFFAOYSA-N 1 2 242.323 0.730 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192710160 387526464 /nfs/dbraw/zinc/52/64/64/387526464.db2.gz PJSHKIIYBLPZDY-UHFFFAOYSA-N 1 2 242.323 0.730 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000375316120 387527736 /nfs/dbraw/zinc/52/77/36/387527736.db2.gz VYSURIWSTHGIDY-RKDXNWHRSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000375316120 387527739 /nfs/dbraw/zinc/52/77/39/387527739.db2.gz VYSURIWSTHGIDY-RKDXNWHRSA-N 1 2 243.332 0.930 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375336258 387530089 /nfs/dbraw/zinc/53/00/89/387530089.db2.gz ZQDXNEMATMBRDS-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375336258 387530094 /nfs/dbraw/zinc/53/00/94/387530094.db2.gz ZQDXNEMATMBRDS-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1cnc[nH]1 ZINC000355378054 387530186 /nfs/dbraw/zinc/53/01/86/387530186.db2.gz YYCMPNNWSMRWTI-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1cnc[nH]1 ZINC000355378054 387530189 /nfs/dbraw/zinc/53/01/89/387530189.db2.gz YYCMPNNWSMRWTI-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000304943250 387530540 /nfs/dbraw/zinc/53/05/40/387530540.db2.gz OKYAXKQMRVVDKZ-ZJUUUORDSA-N 1 2 237.303 0.600 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000192737833 387532304 /nfs/dbraw/zinc/53/23/04/387532304.db2.gz WHKSDAYHBCANAT-SNVBAGLBSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000192737833 387532308 /nfs/dbraw/zinc/53/23/08/387532308.db2.gz WHKSDAYHBCANAT-SNVBAGLBSA-N 1 2 226.280 0.092 20 0 BCADLO O=C(CO)Nc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000355419102 387536411 /nfs/dbraw/zinc/53/64/11/387536411.db2.gz LBTZMVFXYPFUAK-UHFFFAOYSA-N 1 2 246.270 0.953 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375421672 387539112 /nfs/dbraw/zinc/53/91/12/387539112.db2.gz KKGWBYFGEPSLFW-GJMOJQLCSA-N 1 2 236.262 0.117 20 0 BCADLO O=C(COC(F)F)NCCc1[nH]cc[nH+]1 ZINC000352735624 387464554 /nfs/dbraw/zinc/46/45/54/387464554.db2.gz CYVABWVGEFUBOG-UHFFFAOYSA-N 1 2 219.191 0.308 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](C)O)n1C1CC1 ZINC000304366969 387470344 /nfs/dbraw/zinc/47/03/44/387470344.db2.gz ZAMNRIDUEXWWEL-MRVPVSSYSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](C)O)n1C1CC1 ZINC000304366969 387470349 /nfs/dbraw/zinc/47/03/49/387470349.db2.gz ZAMNRIDUEXWWEL-MRVPVSSYSA-N 1 2 224.308 0.734 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355075058 387475162 /nfs/dbraw/zinc/47/51/62/387475162.db2.gz TXXPBXZHVRUOQV-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355075058 387475166 /nfs/dbraw/zinc/47/51/66/387475166.db2.gz TXXPBXZHVRUOQV-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1OCC[C@@H]1C)CC2 ZINC000374660463 387478291 /nfs/dbraw/zinc/47/82/91/387478291.db2.gz GHAYZJKZQRJOGC-JOYOIKCWSA-N 1 2 249.314 0.959 20 0 BCADLO CO[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374663910 387478651 /nfs/dbraw/zinc/47/86/51/387478651.db2.gz QSFIERAWYUPCLF-VIFPVBQESA-N 1 2 223.276 0.569 20 0 BCADLO COC(=O)[C@H](CC(F)F)NCc1[nH+]ccn1C ZINC000355092867 387479722 /nfs/dbraw/zinc/47/97/22/387479722.db2.gz CEQIVGIGOUEIEG-ZETCQYMHSA-N 1 2 247.245 0.707 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)COC(C)C)CC2 ZINC000374701224 387483306 /nfs/dbraw/zinc/48/33/06/387483306.db2.gz PGKONMBHQCUIKF-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000355126984 387483688 /nfs/dbraw/zinc/48/36/88/387483688.db2.gz AGTFQXRICCFIGM-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCCOC1)CC2 ZINC000374709927 387485645 /nfs/dbraw/zinc/48/56/45/387485645.db2.gz AYXRLAGEFNSUIO-NSHDSACASA-N 1 2 249.314 0.960 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)c(C)s1 ZINC000352797947 387489652 /nfs/dbraw/zinc/48/96/52/387489652.db2.gz WQMGQPFCIJVSAX-MNOVXSKESA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@@H]2O)c(C)s1 ZINC000352797947 387489653 /nfs/dbraw/zinc/48/96/53/387489653.db2.gz WQMGQPFCIJVSAX-MNOVXSKESA-N 1 2 242.344 0.951 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H](C)OC ZINC000361559844 387491274 /nfs/dbraw/zinc/49/12/74/387491274.db2.gz XOVIOMVVCXVNND-SSDOTTSWSA-N 1 2 214.269 0.367 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H](C)OC ZINC000361559844 387491278 /nfs/dbraw/zinc/49/12/78/387491278.db2.gz XOVIOMVVCXVNND-SSDOTTSWSA-N 1 2 214.269 0.367 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000516311054 387491749 /nfs/dbraw/zinc/49/17/49/387491749.db2.gz RHKMRRWQOCSQNA-YUMQZZPRSA-N 1 2 249.270 0.540 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000516310573 387493393 /nfs/dbraw/zinc/49/33/93/387493393.db2.gz ZQJOITDKJATITP-UHFFFAOYSA-N 1 2 223.324 0.639 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000516310573 387493398 /nfs/dbraw/zinc/49/33/98/387493398.db2.gz ZQJOITDKJATITP-UHFFFAOYSA-N 1 2 223.324 0.639 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cnc[nH]1 ZINC000361561718 387493508 /nfs/dbraw/zinc/49/35/08/387493508.db2.gz GFFRXKXXZCSJBX-MWLCHTKSSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnc[nH]1 ZINC000361561718 387493514 /nfs/dbraw/zinc/49/35/14/387493514.db2.gz GFFRXKXXZCSJBX-MWLCHTKSSA-N 1 2 225.292 0.381 20 0 BCADLO Cc1cc(CNC(=O)NC[C@H](C)O)cc(C)[nH+]1 ZINC000422209588 387580689 /nfs/dbraw/zinc/58/06/89/387580689.db2.gz OATCPFGFSPFLHE-JTQLQIEISA-N 1 2 237.303 0.878 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000123505506 387584578 /nfs/dbraw/zinc/58/45/78/387584578.db2.gz ZFPQBQWLWLJJCK-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000123505506 387584580 /nfs/dbraw/zinc/58/45/80/387584580.db2.gz ZFPQBQWLWLJJCK-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC=CCC1)[C@H](C)O ZINC000191015753 387584660 /nfs/dbraw/zinc/58/46/60/387584660.db2.gz ANKAVTOJHQLJTR-DCAQKATOSA-N 1 2 227.304 0.855 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCCNC1=O ZINC000362223810 387585855 /nfs/dbraw/zinc/58/58/55/387585855.db2.gz TUVOGDJZLXWDJP-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1cc(CNC(=O)NCCCO)cc(C)[nH+]1 ZINC000422204623 387585877 /nfs/dbraw/zinc/58/58/77/387585877.db2.gz JCYYXNXSBONRPZ-UHFFFAOYSA-N 1 2 237.303 0.880 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC000362223810 387585863 /nfs/dbraw/zinc/58/58/63/387585863.db2.gz TUVOGDJZLXWDJP-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1CC1 ZINC000355946885 387596611 /nfs/dbraw/zinc/59/66/11/387596611.db2.gz RCQSSLSVPFKPMX-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1CC1 ZINC000355946885 387596619 /nfs/dbraw/zinc/59/66/19/387596619.db2.gz RCQSSLSVPFKPMX-KOLCDFICSA-N 1 2 226.320 0.764 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)O ZINC000362340180 387599467 /nfs/dbraw/zinc/59/94/67/387599467.db2.gz QIQGVQFTYUIHOS-UHFFFAOYSA-N 1 2 237.303 0.535 20 0 BCADLO COc1ccc[nH+]c1N1CCNC(=O)C1 ZINC000527534995 387629082 /nfs/dbraw/zinc/62/90/82/387629082.db2.gz YHSZFEXWLJXXEZ-UHFFFAOYSA-N 1 2 207.233 0.026 20 0 BCADLO CC[C@H]1C[N@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000376115866 387608534 /nfs/dbraw/zinc/60/85/34/387608534.db2.gz QAXRICFKARIHMB-CMPLNLGQSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000376115866 387608542 /nfs/dbraw/zinc/60/85/42/387608542.db2.gz QAXRICFKARIHMB-CMPLNLGQSA-N 1 2 242.319 0.132 20 0 BCADLO O=C1CCN1C[NH+]1CCC(F)(F)CC1 ZINC000527553174 387616092 /nfs/dbraw/zinc/61/60/92/387616092.db2.gz JMEGVZWXYILPGF-UHFFFAOYSA-N 1 2 204.220 0.907 20 0 BCADLO COc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000375504041 387547964 /nfs/dbraw/zinc/54/79/64/387547964.db2.gz BABDVGCCTJXAJV-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000375504041 387547968 /nfs/dbraw/zinc/54/79/68/387547968.db2.gz BABDVGCCTJXAJV-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000426238469 387549771 /nfs/dbraw/zinc/54/97/71/387549771.db2.gz LLQBXHLDCCNAQQ-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000426238469 387549773 /nfs/dbraw/zinc/54/97/73/387549773.db2.gz LLQBXHLDCCNAQQ-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO CCCCN(CC)C(=O)C[N@H+](CC)CC(N)=O ZINC000355548455 387550411 /nfs/dbraw/zinc/55/04/11/387550411.db2.gz BPHSLSWUCVHHKP-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CCCCN(CC)C(=O)C[N@@H+](CC)CC(N)=O ZINC000355548455 387550413 /nfs/dbraw/zinc/55/04/13/387550413.db2.gz BPHSLSWUCVHHKP-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000426238471 387551186 /nfs/dbraw/zinc/55/11/86/387551186.db2.gz LLQBXHLDCCNAQQ-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000426238471 387551188 /nfs/dbraw/zinc/55/11/88/387551188.db2.gz LLQBXHLDCCNAQQ-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO C[NH+](C)CC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000361980312 387558250 /nfs/dbraw/zinc/55/82/50/387558250.db2.gz AFCRWHBDLWKGMF-INIZCTEOSA-N 1 2 240.328 0.924 20 0 BCADLO Cc1c(C[N@H+]2C[C@H](CO)OC[C@H]2C)cnn1C ZINC000305134390 387558939 /nfs/dbraw/zinc/55/89/39/387558939.db2.gz OACXRIIVUODRDY-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cnn1C ZINC000305134390 387558942 /nfs/dbraw/zinc/55/89/42/387558942.db2.gz OACXRIIVUODRDY-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cnn1C ZINC000305134392 387559483 /nfs/dbraw/zinc/55/94/83/387559483.db2.gz OACXRIIVUODRDY-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cnn1C ZINC000305134392 387559488 /nfs/dbraw/zinc/55/94/88/387559488.db2.gz OACXRIIVUODRDY-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO COCC(C)(C)C[NH+]1CCS(=O)CC1 ZINC000426402434 387564929 /nfs/dbraw/zinc/56/49/29/387564929.db2.gz BZQBUQUVPVMJBG-UHFFFAOYSA-N 1 2 219.350 0.723 20 0 BCADLO c1nc([C@H]2CCC[N@@H+]2[C@H]2CCOC2)no1 ZINC000375698235 387569123 /nfs/dbraw/zinc/56/91/23/387569123.db2.gz PUMBLNKGLPMJDR-DTWKUNHWSA-N 1 2 209.249 0.995 20 0 BCADLO c1nc([C@H]2CCC[N@H+]2[C@H]2CCOC2)no1 ZINC000375698235 387569126 /nfs/dbraw/zinc/56/91/26/387569126.db2.gz PUMBLNKGLPMJDR-DTWKUNHWSA-N 1 2 209.249 0.995 20 0 BCADLO COC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362087921 387569529 /nfs/dbraw/zinc/56/95/29/387569529.db2.gz OHXLEZCCSNEKHR-ZZCKJEPUSA-N 1 2 233.333 0.391 20 0 BCADLO COC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362087921 387569533 /nfs/dbraw/zinc/56/95/33/387569533.db2.gz OHXLEZCCSNEKHR-ZZCKJEPUSA-N 1 2 233.333 0.391 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332791979 387574858 /nfs/dbraw/zinc/57/48/58/387574858.db2.gz AVYMJNUOBWTWMH-IVZWLZJFSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332791979 387574863 /nfs/dbraw/zinc/57/48/63/387574863.db2.gz AVYMJNUOBWTWMH-IVZWLZJFSA-N 1 2 249.314 0.808 20 0 BCADLO CC[C@H](NC(=O)c1ncn(C)n1)c1[nH]cc[nH+]1 ZINC000355745997 387574993 /nfs/dbraw/zinc/57/49/93/387574993.db2.gz GYHSMJAMFOHNAW-ZETCQYMHSA-N 1 2 234.263 0.419 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399932573 387576490 /nfs/dbraw/zinc/57/64/90/387576490.db2.gz SKFZBQMBMUEHAC-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399932573 387576497 /nfs/dbraw/zinc/57/64/97/387576497.db2.gz SKFZBQMBMUEHAC-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C1CC1 ZINC000114928345 387576588 /nfs/dbraw/zinc/57/65/88/387576588.db2.gz RBRKOPBTZGZGQG-SNVBAGLBSA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@H]1C[N@H+](Cc2noc(COC)n2)C[C@@H]1O ZINC000356252785 387634105 /nfs/dbraw/zinc/63/41/05/387634105.db2.gz LPOHHQPFKSDBDQ-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2noc(COC)n2)C[C@@H]1O ZINC000356252785 387634110 /nfs/dbraw/zinc/63/41/10/387634110.db2.gz LPOHHQPFKSDBDQ-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CCC[C@@H](OCC)C(=O)N1CC[NH+](C)CC1 ZINC000527633647 387644894 /nfs/dbraw/zinc/64/48/94/387644894.db2.gz PMSRWXGMMMCBDS-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CC(=O)NCCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356348772 387647780 /nfs/dbraw/zinc/64/77/80/387647780.db2.gz PIYBCEKQSYMCMF-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356348772 387647784 /nfs/dbraw/zinc/64/77/84/387647784.db2.gz PIYBCEKQSYMCMF-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@](C)(O)C1CCC1 ZINC000362763461 387655729 /nfs/dbraw/zinc/65/57/29/387655729.db2.gz SFPOWIKEYZNCSE-GFCCVEGCSA-N 1 2 237.303 0.919 20 0 BCADLO CO[C@H]1C[NH+](Cc2[nH]ncc2C)C[C@@H]1OC ZINC000356411046 387656481 /nfs/dbraw/zinc/65/64/81/387656481.db2.gz WXPGQCYTBLPMOV-QWRGUYRKSA-N 1 2 225.292 0.564 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000305862413 387665529 /nfs/dbraw/zinc/66/55/29/387665529.db2.gz MEZYXRGBOWRSMB-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000305862413 387665536 /nfs/dbraw/zinc/66/55/36/387665536.db2.gz MEZYXRGBOWRSMB-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000305882980 387665936 /nfs/dbraw/zinc/66/59/36/387665936.db2.gz WGYZRCRGWNIBCA-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000305882980 387665941 /nfs/dbraw/zinc/66/59/41/387665941.db2.gz WGYZRCRGWNIBCA-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1COCCO1 ZINC000430998960 387667465 /nfs/dbraw/zinc/66/74/65/387667465.db2.gz AFYVTQGAXTYPEJ-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1COCCO1 ZINC000430998960 387667467 /nfs/dbraw/zinc/66/74/67/387667467.db2.gz AFYVTQGAXTYPEJ-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000356523402 387669051 /nfs/dbraw/zinc/66/90/51/387669051.db2.gz XJNRFZZEJFXVOW-SECBINFHSA-N 1 2 237.303 0.837 20 0 BCADLO Cn1cc(N2CC[NH+](Cc3cc[nH]n3)CC2)cn1 ZINC000126132622 387674186 /nfs/dbraw/zinc/67/41/86/387674186.db2.gz VUCXVWNVZMBZBH-UHFFFAOYSA-N 1 2 246.318 0.465 20 0 BCADLO COc1cc(C[NH2+]Cc2nnn(C)n2)ccc1C ZINC000362960386 387680107 /nfs/dbraw/zinc/68/01/07/387680107.db2.gz MYPNFFVNWDCTNU-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO CCCC[N@H+](CCO)Cc1ncnn1CCF ZINC000440713211 387680405 /nfs/dbraw/zinc/68/04/05/387680405.db2.gz REAZVXPEYZDJKN-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO CCCC[N@@H+](CCO)Cc1ncnn1CCF ZINC000440713211 387680413 /nfs/dbraw/zinc/68/04/13/387680413.db2.gz REAZVXPEYZDJKN-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO Cc1nc(N[C@H]2COCC2(C)C)nc(N)[nH+]1 ZINC000313064001 387680889 /nfs/dbraw/zinc/68/08/89/387680889.db2.gz QPHCCAMZAYGLES-ZETCQYMHSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H]2COCC2(C)C)[nH+]1 ZINC000313064001 387680895 /nfs/dbraw/zinc/68/08/95/387680895.db2.gz QPHCCAMZAYGLES-ZETCQYMHSA-N 1 2 223.280 0.599 20 0 BCADLO CCNS(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451928668 387681101 /nfs/dbraw/zinc/68/11/01/387681101.db2.gz FKLYCYCACGEOKH-MRVPVSSYSA-N 1 2 246.336 0.408 20 0 BCADLO CCn1ncc(C[NH2+]Cc2nc(C)ccc2O)n1 ZINC000527733941 387682539 /nfs/dbraw/zinc/68/25/39/387682539.db2.gz INNDYLLZJDDZBB-UHFFFAOYSA-N 1 2 247.302 0.997 20 0 BCADLO CCn1ncc(CNCc2[nH+]ccn2CC)n1 ZINC000527733124 387682723 /nfs/dbraw/zinc/68/27/23/387682723.db2.gz HMQAWRVJWKVRRA-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO CCC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000362980882 387683165 /nfs/dbraw/zinc/68/31/65/387683165.db2.gz SCLPYSMAMYPESR-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO COC(=O)CSCC[NH+]1CCOCC1 ZINC000123371460 387687233 /nfs/dbraw/zinc/68/72/33/387687233.db2.gz BMZYHGUZCZUDER-UHFFFAOYSA-N 1 2 219.306 0.225 20 0 BCADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1nnnn1C ZINC000363100008 387688029 /nfs/dbraw/zinc/68/80/29/387688029.db2.gz RTYOQJYFKOGXIK-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1nnnn1C ZINC000363100008 387688034 /nfs/dbraw/zinc/68/80/34/387688034.db2.gz RTYOQJYFKOGXIK-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123789 387690548 /nfs/dbraw/zinc/69/05/48/387690548.db2.gz IUQRQQQVZGTWQC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123789 387690560 /nfs/dbraw/zinc/69/05/60/387690560.db2.gz IUQRQQQVZGTWQC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)NC[C@H]1CCCO1 ZINC000363127985 387691332 /nfs/dbraw/zinc/69/13/32/387691332.db2.gz IMTKIBVTERQYHU-LLVKDONJSA-N 1 2 242.319 0.004 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)NC[C@H]1CCCO1 ZINC000363127985 387691338 /nfs/dbraw/zinc/69/13/38/387691338.db2.gz IMTKIBVTERQYHU-LLVKDONJSA-N 1 2 242.319 0.004 20 0 BCADLO Cc1nc(C(=O)NCCn2cc[nH+]c2)c(C)o1 ZINC000432004792 387743200 /nfs/dbraw/zinc/74/32/00/387743200.db2.gz AKTQMFUFKKULST-UHFFFAOYSA-N 1 2 234.259 0.918 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000248977450 387748385 /nfs/dbraw/zinc/74/83/85/387748385.db2.gz DSAHCIOYURTCMK-PWSUYJOCSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000248977450 387748387 /nfs/dbraw/zinc/74/83/87/387748387.db2.gz DSAHCIOYURTCMK-PWSUYJOCSA-N 1 2 240.347 0.748 20 0 BCADLO Cn1nccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000128722838 387753465 /nfs/dbraw/zinc/75/34/65/387753465.db2.gz LIONZTQCJVRLKL-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO C[C@@H](F)CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000356682284 387699394 /nfs/dbraw/zinc/69/93/94/387699394.db2.gz KSMLJPWOWORTKS-MNOVXSKESA-N 1 2 245.342 0.487 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000440791610 387699491 /nfs/dbraw/zinc/69/94/91/387699491.db2.gz OYEKQQWMMYCFHD-SFYZADRCSA-N 1 2 220.313 0.637 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000440791610 387699494 /nfs/dbraw/zinc/69/94/94/387699494.db2.gz OYEKQQWMMYCFHD-SFYZADRCSA-N 1 2 220.313 0.637 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1ncnn1CCF ZINC000440790622 387699687 /nfs/dbraw/zinc/69/96/87/387699687.db2.gz LNRVFQMNEDJTIN-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1ncnn1CCF ZINC000440790622 387699695 /nfs/dbraw/zinc/69/96/95/387699695.db2.gz LNRVFQMNEDJTIN-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000440790888 387699948 /nfs/dbraw/zinc/69/99/48/387699948.db2.gz MRMBWVFABFQSLT-NXEZZACHSA-N 1 2 232.299 0.260 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCOCC(F)F ZINC000356965004 387755204 /nfs/dbraw/zinc/75/52/04/387755204.db2.gz ACXDOOHCMCBGHV-UHFFFAOYSA-N 1 2 247.245 0.740 20 0 BCADLO CS(=O)(=O)CCCOc1cc[nH+]cc1 ZINC000431486697 387714013 /nfs/dbraw/zinc/71/40/13/387714013.db2.gz XDNIBZBOVWGFIB-UHFFFAOYSA-N 1 2 215.274 0.895 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)[nH]1 ZINC000452067315 387722052 /nfs/dbraw/zinc/72/20/52/387722052.db2.gz IDVKKGFDAXESRQ-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)[nH]1 ZINC000452067315 387722055 /nfs/dbraw/zinc/72/20/55/387722055.db2.gz IDVKKGFDAXESRQ-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452081431 387727406 /nfs/dbraw/zinc/72/74/06/387727406.db2.gz IOTSDVOGBDLSIN-IUCAKERBSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452081431 387727410 /nfs/dbraw/zinc/72/74/10/387727410.db2.gz IOTSDVOGBDLSIN-IUCAKERBSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452081429 387729105 /nfs/dbraw/zinc/72/91/05/387729105.db2.gz IOTSDVOGBDLSIN-DTWKUNHWSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452081429 387729112 /nfs/dbraw/zinc/72/91/12/387729112.db2.gz IOTSDVOGBDLSIN-DTWKUNHWSA-N 1 2 218.272 0.311 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnns1 ZINC000356882726 387738698 /nfs/dbraw/zinc/73/86/98/387738698.db2.gz PUMQUZIDXGVQTB-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnns1 ZINC000356882726 387738701 /nfs/dbraw/zinc/73/87/01/387738701.db2.gz PUMQUZIDXGVQTB-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnns1 ZINC000356882730 387739023 /nfs/dbraw/zinc/73/90/23/387739023.db2.gz PUMQUZIDXGVQTB-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnns1 ZINC000356882730 387739025 /nfs/dbraw/zinc/73/90/25/387739025.db2.gz PUMQUZIDXGVQTB-YUMQZZPRSA-N 1 2 240.332 0.703 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]CCC(=O)NC)no1 ZINC000441245256 387741161 /nfs/dbraw/zinc/74/11/61/387741161.db2.gz DWEMBVPDMHWWEB-UHFFFAOYSA-N 1 2 240.307 0.593 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](O)c1cnn(C)c1 ZINC000527907247 387763638 /nfs/dbraw/zinc/76/36/38/387763638.db2.gz VBRAWCXKKOFDFG-SNVBAGLBSA-N 1 2 248.286 0.969 20 0 BCADLO COC(=O)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000129299175 387767193 /nfs/dbraw/zinc/76/71/93/387767193.db2.gz DKIHAHGAPNWSNO-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO COC(=O)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000129299175 387767200 /nfs/dbraw/zinc/76/72/00/387767200.db2.gz DKIHAHGAPNWSNO-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO Cc1cocc1C(=O)N1CC[NH+](CCO)CC1 ZINC000527880054 387770299 /nfs/dbraw/zinc/77/02/99/387770299.db2.gz JCROYKYPTFNOPG-UHFFFAOYSA-N 1 2 238.287 0.338 20 0 BCADLO Cn1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)n1 ZINC000359977253 387791524 /nfs/dbraw/zinc/79/15/24/387791524.db2.gz JTVVJTIDIDRCRO-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cn1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)n1 ZINC000359977253 387791530 /nfs/dbraw/zinc/79/15/30/387791530.db2.gz JTVVJTIDIDRCRO-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000193972495 387813392 /nfs/dbraw/zinc/81/33/92/387813392.db2.gz UYMMOSCDLPFHSA-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NC(C)(C)C ZINC000193972495 387813395 /nfs/dbraw/zinc/81/33/95/387813395.db2.gz UYMMOSCDLPFHSA-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(F)F ZINC000377997076 387758683 /nfs/dbraw/zinc/75/86/83/387758683.db2.gz GCMCKQPFARSWNS-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@@H]1O ZINC000645844847 387822687 /nfs/dbraw/zinc/82/26/87/387822687.db2.gz QLYAULXPGNYCNJ-SCZZXKLOSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@@H]1O ZINC000645844847 387822691 /nfs/dbraw/zinc/82/26/91/387822691.db2.gz QLYAULXPGNYCNJ-SCZZXKLOSA-N 1 2 236.319 0.505 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCCOCC1 ZINC000360093996 387825342 /nfs/dbraw/zinc/82/53/42/387825342.db2.gz WQCCVYMEHQERKQ-UHFFFAOYSA-N 1 2 233.275 0.590 20 0 BCADLO CN(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000360072971 387826594 /nfs/dbraw/zinc/82/65/94/387826594.db2.gz DXQRHSNPRIZYJR-TXEJJXNPSA-N 1 2 248.330 0.906 20 0 BCADLO CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000360072971 387826603 /nfs/dbraw/zinc/82/66/03/387826603.db2.gz DXQRHSNPRIZYJR-TXEJJXNPSA-N 1 2 248.330 0.906 20 0 BCADLO COc1ccc[nH+]c1N1CC(=O)N[C@H](C)C1 ZINC000528026456 387830941 /nfs/dbraw/zinc/83/09/41/387830941.db2.gz FJVNVUPOCLGNSW-MRVPVSSYSA-N 1 2 221.260 0.415 20 0 BCADLO c1cnc(-c2noc([C@H]3CSC[NH2+]3)n2)cn1 ZINC000442755628 387834546 /nfs/dbraw/zinc/83/45/46/387834546.db2.gz ZKEOTSBAKBRTAF-SSDOTTSWSA-N 1 2 235.272 0.862 20 0 BCADLO CC/C=C\CNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000452610441 387873500 /nfs/dbraw/zinc/87/35/00/387873500.db2.gz FUMHSDNHSHBPEN-FOQNGQEVSA-N 1 2 239.363 0.705 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@@H](O)C(C)C ZINC000432922953 387841591 /nfs/dbraw/zinc/84/15/91/387841591.db2.gz CDMPTOMAFRMRAM-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@@H](O)C(C)C ZINC000432922953 387841593 /nfs/dbraw/zinc/84/15/93/387841593.db2.gz CDMPTOMAFRMRAM-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000432915624 387841767 /nfs/dbraw/zinc/84/17/67/387841767.db2.gz FVNUXYQFEZJHLZ-QMMMGPOBSA-N 1 2 224.264 0.178 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000432915624 387841771 /nfs/dbraw/zinc/84/17/71/387841771.db2.gz FVNUXYQFEZJHLZ-QMMMGPOBSA-N 1 2 224.264 0.178 20 0 BCADLO c1n[nH]c2nc[nH+]c(NCC[C@H]3CCCOC3)c12 ZINC000528071207 387843256 /nfs/dbraw/zinc/84/32/56/387843256.db2.gz IBQCPIRWDOXBQL-SECBINFHSA-N 1 2 247.302 0.955 20 0 BCADLO CN(Cc1nc[nH]n1)c1[nH+]cnc2[nH]ccc21 ZINC000432937997 387843851 /nfs/dbraw/zinc/84/38/51/387843851.db2.gz NBBOUZKNNKPBDN-UHFFFAOYSA-N 1 2 229.247 0.712 20 0 BCADLO CN(Cc1nnc[nH]1)c1[nH+]cnc2[nH]ccc21 ZINC000432937997 387843856 /nfs/dbraw/zinc/84/38/56/387843856.db2.gz NBBOUZKNNKPBDN-UHFFFAOYSA-N 1 2 229.247 0.712 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424162417 387844362 /nfs/dbraw/zinc/84/43/62/387844362.db2.gz CRRSPVWAMKVUGG-JGVFFNPUSA-N 1 2 236.262 0.382 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000061709159 387845106 /nfs/dbraw/zinc/84/51/06/387845106.db2.gz NTWNNFWQNDUJTH-VIFPVBQESA-N 1 2 246.270 0.698 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000061709159 387845108 /nfs/dbraw/zinc/84/51/08/387845108.db2.gz NTWNNFWQNDUJTH-VIFPVBQESA-N 1 2 246.270 0.698 20 0 BCADLO Cc1cc(N2CC[C@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000432941301 387846429 /nfs/dbraw/zinc/84/64/29/387846429.db2.gz XYOJEXUFPXTCNK-LBPRGKRZSA-N 1 2 232.287 0.501 20 0 BCADLO CCCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000061799544 387847154 /nfs/dbraw/zinc/84/71/54/387847154.db2.gz DFEIPPIQNLBZQW-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000061799544 387847157 /nfs/dbraw/zinc/84/71/57/387847157.db2.gz DFEIPPIQNLBZQW-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000433020043 387850876 /nfs/dbraw/zinc/85/08/76/387850876.db2.gz AXMJQDLSEJAXJS-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CC[S@](=O)C1 ZINC000433026299 387852618 /nfs/dbraw/zinc/85/26/18/387852618.db2.gz PBHDWTQKWDDRAH-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[S@](=O)C1 ZINC000433026299 387852619 /nfs/dbraw/zinc/85/26/19/387852619.db2.gz PBHDWTQKWDDRAH-HWPZZCPQSA-N 1 2 241.360 0.621 20 0 BCADLO C[C@@H]1CC[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000433029504 387853408 /nfs/dbraw/zinc/85/34/08/387853408.db2.gz SGKIHZJBIOVLIU-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193707646 387862320 /nfs/dbraw/zinc/86/23/20/387862320.db2.gz KXZIHAJCBFSZKM-GFCCVEGCSA-N 1 2 243.303 0.431 20 0 BCADLO CCOC(=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000193707646 387862324 /nfs/dbraw/zinc/86/23/24/387862324.db2.gz KXZIHAJCBFSZKM-GFCCVEGCSA-N 1 2 243.303 0.431 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1O ZINC000432783128 387817566 /nfs/dbraw/zinc/81/75/66/387817566.db2.gz XXCRDSMIYKHSLG-IUCAKERBSA-N 1 2 238.335 0.915 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1O ZINC000432783128 387817569 /nfs/dbraw/zinc/81/75/69/387817569.db2.gz XXCRDSMIYKHSLG-IUCAKERBSA-N 1 2 238.335 0.915 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1O ZINC000432783126 387817674 /nfs/dbraw/zinc/81/76/74/387817674.db2.gz XXCRDSMIYKHSLG-BDAKNGLRSA-N 1 2 238.335 0.915 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1O ZINC000432783126 387817678 /nfs/dbraw/zinc/81/76/78/387817678.db2.gz XXCRDSMIYKHSLG-BDAKNGLRSA-N 1 2 238.335 0.915 20 0 BCADLO O=S1(=O)CCO[C@H](CNc2cccc[nH+]2)C1 ZINC000309537060 387818623 /nfs/dbraw/zinc/81/86/23/387818623.db2.gz XFGNWBGZPPWXFG-SECBINFHSA-N 1 2 242.300 0.307 20 0 BCADLO CCOCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000444621317 387893499 /nfs/dbraw/zinc/89/34/99/387893499.db2.gz BNCNWJNGFBHZMY-JTQLQIEISA-N 1 2 247.335 0.705 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000645772864 387894401 /nfs/dbraw/zinc/89/44/01/387894401.db2.gz SKAGCJNSUWEURS-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@@H](O)C1 ZINC000645772864 387894403 /nfs/dbraw/zinc/89/44/03/387894403.db2.gz SKAGCJNSUWEURS-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO COC[C@@H](O)CC[NH2+]Cc1cn[nH]c1C ZINC000153782840 387895215 /nfs/dbraw/zinc/89/52/15/387895215.db2.gz ULMYMXGDGLUAED-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1ccncn1 ZINC000236112390 387875449 /nfs/dbraw/zinc/87/54/49/387875449.db2.gz PCQVUTKTPBQVTF-UHFFFAOYSA-N 1 2 241.258 0.765 20 0 BCADLO CC(C)(O)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452755053 387908028 /nfs/dbraw/zinc/90/80/28/387908028.db2.gz MCEQDGKHJMKRNF-UHFFFAOYSA-N 1 2 223.276 0.929 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292205895 387908546 /nfs/dbraw/zinc/90/85/46/387908546.db2.gz PDRQZPPROXVGMA-MRVPVSSYSA-N 1 2 224.264 0.108 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292205895 387908550 /nfs/dbraw/zinc/90/85/50/387908550.db2.gz PDRQZPPROXVGMA-MRVPVSSYSA-N 1 2 224.264 0.108 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)CC(=O)N(C)C ZINC000195514004 387921287 /nfs/dbraw/zinc/92/12/87/387921287.db2.gz VNKFABLNBDNCAX-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccncn1 ZINC000445167064 387944112 /nfs/dbraw/zinc/94/41/12/387944112.db2.gz SFXGWICKHCRNGA-UHFFFAOYSA-N 1 2 218.220 0.521 20 0 BCADLO CNc1nc(N[C@@H](C)CCO)[nH+]c2ccccc21 ZINC000450350855 387956438 /nfs/dbraw/zinc/95/64/38/387956438.db2.gz XYAYYDUZQSLJDL-VIFPVBQESA-N 1 2 246.314 0.698 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@H](C)[C@@H]1C)CS(C)(=O)=O ZINC000156509214 387987716 /nfs/dbraw/zinc/98/77/16/387987716.db2.gz VHYWGORWZILCCH-OUAUKWLOSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@H](C)[C@@H]1C)CS(C)(=O)=O ZINC000156509214 387987720 /nfs/dbraw/zinc/98/77/20/387987720.db2.gz VHYWGORWZILCCH-OUAUKWLOSA-N 1 2 249.376 0.776 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H](C)O1 ZINC000439290979 387991979 /nfs/dbraw/zinc/99/19/79/387991979.db2.gz CYIDKDPMYYBHLQ-VWYCJHECSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H](C)O1 ZINC000439290979 387991982 /nfs/dbraw/zinc/99/19/82/387991982.db2.gz CYIDKDPMYYBHLQ-VWYCJHECSA-N 1 2 242.319 0.001 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000250708512 135058437 /nfs/dbraw/zinc/05/84/37/135058437.db2.gz XJELPDCNIHCFRC-XHNCKOQMSA-N 1 2 201.266 0.705 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446079965 387997769 /nfs/dbraw/zinc/99/77/69/387997769.db2.gz KPZVIVSOMCKJTP-DCAQKATOSA-N 1 2 228.336 0.962 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446079965 387997773 /nfs/dbraw/zinc/99/77/73/387997773.db2.gz KPZVIVSOMCKJTP-DCAQKATOSA-N 1 2 228.336 0.962 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446075638 387998029 /nfs/dbraw/zinc/99/80/29/387998029.db2.gz ABSQFWXWEIUDSL-LPEHRKFASA-N 1 2 214.309 0.620 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446075638 387998031 /nfs/dbraw/zinc/99/80/31/387998031.db2.gz ABSQFWXWEIUDSL-LPEHRKFASA-N 1 2 214.309 0.620 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000446077893 387998064 /nfs/dbraw/zinc/99/80/64/387998064.db2.gz GDRPFZGMTDADQH-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO Cc1ccnc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000446077893 387998069 /nfs/dbraw/zinc/99/80/69/387998069.db2.gz GDRPFZGMTDADQH-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO CC(C)([NH3+])C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424374143 387999450 /nfs/dbraw/zinc/99/94/50/387999450.db2.gz YQCWBYWNASYSOK-QMMMGPOBSA-N 1 2 221.295 0.558 20 0 BCADLO CSCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000439474475 388003039 /nfs/dbraw/zinc/00/30/39/388003039.db2.gz WLXZZEAGGSUQQB-MRVPVSSYSA-N 1 2 229.353 0.956 20 0 BCADLO CSCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000439474475 388003040 /nfs/dbraw/zinc/00/30/40/388003040.db2.gz WLXZZEAGGSUQQB-MRVPVSSYSA-N 1 2 229.353 0.956 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[C@H](O)C1 ZINC000439532704 388007905 /nfs/dbraw/zinc/00/79/05/388007905.db2.gz XSLRYEMYISBIHU-UWVGGRQHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CCO[C@@H](C)C1 ZINC000246097196 388009203 /nfs/dbraw/zinc/00/92/03/388009203.db2.gz OIIDEUMAGHDKTL-NEPJUHHUSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)[C@H](C)O1 ZINC000446083360 387996775 /nfs/dbraw/zinc/99/67/75/387996775.db2.gz RDXVHLOXYOQDCS-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)[C@H](C)O1 ZINC000446083360 387996778 /nfs/dbraw/zinc/99/67/78/387996778.db2.gz RDXVHLOXYOQDCS-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ccc(O)cc1 ZINC000082260978 388019105 /nfs/dbraw/zinc/01/91/05/388019105.db2.gz MEITZVLNCBJDLS-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082262867 388019886 /nfs/dbraw/zinc/01/98/86/388019886.db2.gz FPKMDVIYNABWGG-JTQLQIEISA-N 1 2 245.282 0.983 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCC[NH2+]C1 ZINC000082280893 388021921 /nfs/dbraw/zinc/02/19/21/388021921.db2.gz BEDKAULELGVAML-QMMMGPOBSA-N 1 2 245.286 0.896 20 0 BCADLO c1nnc(CCNc2cc[nH+]c3ccncc23)[nH]1 ZINC000433416599 388040260 /nfs/dbraw/zinc/04/02/60/388040260.db2.gz DCNIQZRXHQDKRA-UHFFFAOYSA-N 1 2 240.270 0.824 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000046728200 388043147 /nfs/dbraw/zinc/04/31/47/388043147.db2.gz OALCUUWETYUISQ-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000440540284 388052843 /nfs/dbraw/zinc/05/28/43/388052843.db2.gz XTYMXVFHCKJBCA-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000440540284 388052845 /nfs/dbraw/zinc/05/28/45/388052845.db2.gz XTYMXVFHCKJBCA-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO O=C(Cc1ccccc1O)NCc1[nH]cc[nH+]1 ZINC000083629830 388056208 /nfs/dbraw/zinc/05/62/08/388056208.db2.gz QWQXSNPMDOHITM-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO CC[C@@H](F)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000440694418 388066718 /nfs/dbraw/zinc/06/67/18/388066718.db2.gz QNCXRMGMEAJOJJ-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000440694418 388066724 /nfs/dbraw/zinc/06/67/24/388066724.db2.gz QNCXRMGMEAJOJJ-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)n1cccn1 ZINC000084081717 388070166 /nfs/dbraw/zinc/07/01/66/388070166.db2.gz TVYIRDMHYLUZFX-QMMMGPOBSA-N 1 2 219.248 0.484 20 0 BCADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)n1cccn1 ZINC000084081717 388070169 /nfs/dbraw/zinc/07/01/69/388070169.db2.gz TVYIRDMHYLUZFX-QMMMGPOBSA-N 1 2 219.248 0.484 20 0 BCADLO C=Cn1cc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000447729058 388089561 /nfs/dbraw/zinc/08/95/61/388089561.db2.gz NANXSHMGZRQGLG-JTQLQIEISA-N 1 2 220.276 0.304 20 0 BCADLO C=Cn1cc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000447729058 388089565 /nfs/dbraw/zinc/08/95/65/388089565.db2.gz NANXSHMGZRQGLG-JTQLQIEISA-N 1 2 220.276 0.304 20 0 BCADLO CC[C@@H]([NH2+]CCc1ncc(C)cn1)C(=O)OC ZINC000447798450 388094160 /nfs/dbraw/zinc/09/41/60/388094160.db2.gz WSYKDJAHWARAMN-SNVBAGLBSA-N 1 2 237.303 0.869 20 0 BCADLO COCC1(C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000447839116 388095591 /nfs/dbraw/zinc/09/55/91/388095591.db2.gz HKOMHHUROJHVSH-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CCOC ZINC000447855777 388098240 /nfs/dbraw/zinc/09/82/40/388098240.db2.gz UUVLOBYLAFFANC-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CCOC ZINC000447855777 388098241 /nfs/dbraw/zinc/09/82/41/388098241.db2.gz UUVLOBYLAFFANC-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO Cc1ccnc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)n1 ZINC000447917714 388103967 /nfs/dbraw/zinc/10/39/67/388103967.db2.gz YJYKDZWBFCLOJE-QWRGUYRKSA-N 1 2 237.303 0.415 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000170817782 388106652 /nfs/dbraw/zinc/10/66/52/388106652.db2.gz OEYHUZISNDUKJZ-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000170817782 388106656 /nfs/dbraw/zinc/10/66/56/388106656.db2.gz OEYHUZISNDUKJZ-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO C[N@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000195175260 388110267 /nfs/dbraw/zinc/11/02/67/388110267.db2.gz NSKPAOCHXYMXSE-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[N@@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000195175260 388110270 /nfs/dbraw/zinc/11/02/70/388110270.db2.gz NSKPAOCHXYMXSE-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCCCNC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000119239826 388112431 /nfs/dbraw/zinc/11/24/31/388112431.db2.gz UIHUFBDIJVLZLR-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCCNC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000119239826 388112434 /nfs/dbraw/zinc/11/24/34/388112434.db2.gz UIHUFBDIJVLZLR-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000440506541 388046996 /nfs/dbraw/zinc/04/69/96/388046996.db2.gz QNLNPOQZSHSANU-BDAKNGLRSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000440506541 388046999 /nfs/dbraw/zinc/04/69/99/388046999.db2.gz QNLNPOQZSHSANU-BDAKNGLRSA-N 1 2 202.273 0.897 20 0 BCADLO CCO[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260976 388172884 /nfs/dbraw/zinc/17/28/84/388172884.db2.gz VRCQDHWVLSJKRZ-MRVPVSSYSA-N 1 2 223.276 0.719 20 0 BCADLO CCO[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260976 388172886 /nfs/dbraw/zinc/17/28/86/388172886.db2.gz VRCQDHWVLSJKRZ-MRVPVSSYSA-N 1 2 223.276 0.719 20 0 BCADLO O=C(Cc1cccnc1)N1CCc2[nH]c[nH+]c2C1 ZINC000646261580 388173112 /nfs/dbraw/zinc/17/31/12/388173112.db2.gz OUUGIQQFEBSWCE-UHFFFAOYSA-N 1 2 242.282 0.932 20 0 BCADLO O=C(Cc1cccnc1)N1CCc2[nH+]c[nH]c2C1 ZINC000646261580 388173114 /nfs/dbraw/zinc/17/31/14/388173114.db2.gz OUUGIQQFEBSWCE-UHFFFAOYSA-N 1 2 242.282 0.932 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC000152294419 388178323 /nfs/dbraw/zinc/17/83/23/388178323.db2.gz GETJYJLPJZTSSW-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC000152294419 388178324 /nfs/dbraw/zinc/17/83/24/388178324.db2.gz GETJYJLPJZTSSW-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(CC1CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216947 388185543 /nfs/dbraw/zinc/18/55/43/388185543.db2.gz OZBNRRCGAYBAJL-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(CC1CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216947 388185545 /nfs/dbraw/zinc/18/55/45/388185545.db2.gz OZBNRRCGAYBAJL-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC1(F)F ZINC000448877319 388116873 /nfs/dbraw/zinc/11/68/73/388116873.db2.gz FAJUKHLVBDOGNB-VIFPVBQESA-N 1 2 248.273 0.432 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000448915159 388120032 /nfs/dbraw/zinc/12/00/32/388120032.db2.gz VSSSBHRYEQSADG-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000448915159 388120035 /nfs/dbraw/zinc/12/00/35/388120035.db2.gz VSSSBHRYEQSADG-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646037528 388129643 /nfs/dbraw/zinc/12/96/43/388129643.db2.gz PQRRDCJLQWPZPC-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO CC(C)[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646037528 388129645 /nfs/dbraw/zinc/12/96/45/388129645.db2.gz PQRRDCJLQWPZPC-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO CC[C@@H](C)[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033557 388130190 /nfs/dbraw/zinc/13/01/90/388130190.db2.gz LFBBHZASCXGPFC-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@@H](C)[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033557 388130193 /nfs/dbraw/zinc/13/01/93/388130193.db2.gz LFBBHZASCXGPFC-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO COc1nccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000449033496 388132805 /nfs/dbraw/zinc/13/28/05/388132805.db2.gz DJYOUWTUSFMWKW-PHIMTYICSA-N 1 2 235.287 0.848 20 0 BCADLO COc1nccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000449033496 388132808 /nfs/dbraw/zinc/13/28/08/388132808.db2.gz DJYOUWTUSFMWKW-PHIMTYICSA-N 1 2 235.287 0.848 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1c[nH+]c2ccccn12 ZINC000646127174 388148921 /nfs/dbraw/zinc/14/89/21/388148921.db2.gz XIWQAMUFWZWXFU-SNVBAGLBSA-N 1 2 244.298 0.954 20 0 BCADLO OC[C@@H]1CCN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641529162 388151302 /nfs/dbraw/zinc/15/13/02/388151302.db2.gz YSPADCXPCPLMCF-GZMMTYOYSA-N 1 2 226.251 0.400 20 0 BCADLO CC(C)CCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164914075 388249651 /nfs/dbraw/zinc/24/96/51/388249651.db2.gz GXKRVPWOHLLOMA-UHFFFAOYSA-N 1 2 244.307 0.546 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000490731472 388250570 /nfs/dbraw/zinc/25/05/70/388250570.db2.gz ORJKHZXPPGCFGH-WCBMZHEXSA-N 1 2 242.298 0.497 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@H](CO)C2)c1 ZINC000166040112 388253851 /nfs/dbraw/zinc/25/38/51/388253851.db2.gz PHIUHBVHJIERHF-JTQLQIEISA-N 1 2 208.261 0.393 20 0 BCADLO CO[C@H]1C[NH+](Cc2cc[nH]n2)C[C@@H]1OC ZINC000488590266 388190023 /nfs/dbraw/zinc/19/00/23/388190023.db2.gz ORBZSMYOMLNIAO-UWVGGRQHSA-N 1 2 211.265 0.255 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000313065013 256534787 /nfs/dbraw/zinc/53/47/87/256534787.db2.gz YWSVFYXDGWLPPE-MRVPVSSYSA-N 1 2 201.266 0.564 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000152484876 388209301 /nfs/dbraw/zinc/20/93/01/388209301.db2.gz NYDOGZKLABYVRS-ONGXEEELSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000152484876 388209302 /nfs/dbraw/zinc/20/93/02/388209302.db2.gz NYDOGZKLABYVRS-ONGXEEELSA-N 1 2 236.271 0.435 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](C)N1CCO ZINC000449546159 388229250 /nfs/dbraw/zinc/22/92/50/388229250.db2.gz UXPUZPFNWPIGDN-BETUJISGSA-N 1 2 249.358 0.969 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](C)N1CCO ZINC000449546159 388229253 /nfs/dbraw/zinc/22/92/53/388229253.db2.gz UXPUZPFNWPIGDN-BETUJISGSA-N 1 2 249.358 0.969 20 0 BCADLO Cc1cc(NC(=O)N2CN(C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000646328642 388233557 /nfs/dbraw/zinc/23/35/57/388233557.db2.gz YPHVBWJGCRHFPM-VIFPVBQESA-N 1 2 248.286 0.464 20 0 BCADLO Cc1cc(NC(=O)N2CN(C)C(=O)[C@H]2C)cc[nH+]1 ZINC000646328640 388233631 /nfs/dbraw/zinc/23/36/31/388233631.db2.gz YPHVBWJGCRHFPM-SECBINFHSA-N 1 2 248.286 0.464 20 0 BCADLO COCC[N@H+](Cc1cn(C)nn1)[C@H]1CCOC1 ZINC000490095094 388234682 /nfs/dbraw/zinc/23/46/82/388234682.db2.gz PFSHTLOAKDZRAK-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](Cc1cn(C)nn1)[C@H]1CCOC1 ZINC000490095094 388234684 /nfs/dbraw/zinc/23/46/84/388234684.db2.gz PFSHTLOAKDZRAK-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@H+](Cc1cn(C)nn1)[C@@H]1CCOC1 ZINC000490095088 388234987 /nfs/dbraw/zinc/23/49/87/388234987.db2.gz PFSHTLOAKDZRAK-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](Cc1cn(C)nn1)[C@@H]1CCOC1 ZINC000490095088 388234990 /nfs/dbraw/zinc/23/49/90/388234990.db2.gz PFSHTLOAKDZRAK-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO C[N@H+](CCCO)Cc1ncnn1CC(F)F ZINC000490222706 388236280 /nfs/dbraw/zinc/23/62/80/388236280.db2.gz LQRRBLABWBHQCI-UHFFFAOYSA-N 1 2 234.250 0.357 20 0 BCADLO C[N@@H+](CCCO)Cc1ncnn1CC(F)F ZINC000490222706 388236282 /nfs/dbraw/zinc/23/62/82/388236282.db2.gz LQRRBLABWBHQCI-UHFFFAOYSA-N 1 2 234.250 0.357 20 0 BCADLO COC(=O)NCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000491343394 388286864 /nfs/dbraw/zinc/28/68/64/388286864.db2.gz ZJOQANVJCIQZAF-UHFFFAOYSA-N 1 2 240.263 0.114 20 0 BCADLO C[C@@H]1C[N@H+](CCOC2CCC2)CC(=O)N1 ZINC000451640488 388287101 /nfs/dbraw/zinc/28/71/01/388287101.db2.gz LRVZQGBRRBQQRR-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC2CCC2)CC(=O)N1 ZINC000451640488 388287102 /nfs/dbraw/zinc/28/71/02/388287102.db2.gz LRVZQGBRRBQQRR-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000492019972 388331860 /nfs/dbraw/zinc/33/18/60/388331860.db2.gz PKQLIDIPPIKUSZ-DGWZLVPASA-N 1 2 247.298 0.677 20 0 BCADLO CN(C)c1noc(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000451810726 388298015 /nfs/dbraw/zinc/29/80/15/388298015.db2.gz LVMSAKBVBJVSFQ-QMMMGPOBSA-N 1 2 240.307 0.650 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451828764 388298872 /nfs/dbraw/zinc/29/88/72/388298872.db2.gz HZSOPQCNXJCSLG-RKDXNWHRSA-N 1 2 225.279 0.951 20 0 BCADLO CC(C)[C@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451828764 388298873 /nfs/dbraw/zinc/29/88/73/388298873.db2.gz HZSOPQCNXJCSLG-RKDXNWHRSA-N 1 2 225.279 0.951 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451828761 388298914 /nfs/dbraw/zinc/29/89/14/388298914.db2.gz HZSOPQCNXJCSLG-BDAKNGLRSA-N 1 2 225.279 0.951 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451828761 388298915 /nfs/dbraw/zinc/29/89/15/388298915.db2.gz HZSOPQCNXJCSLG-BDAKNGLRSA-N 1 2 225.279 0.951 20 0 BCADLO COCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451849718 388300308 /nfs/dbraw/zinc/30/03/08/388300308.db2.gz JTTAGKDIADFMRU-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO COCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451849718 388300310 /nfs/dbraw/zinc/30/03/10/388300310.db2.gz JTTAGKDIADFMRU-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO C[C@@H](O)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451846359 388300478 /nfs/dbraw/zinc/30/04/78/388300478.db2.gz YJJSASGVQRPYAN-SFYZADRCSA-N 1 2 211.252 0.705 20 0 BCADLO C[C@@H](O)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451846359 388300479 /nfs/dbraw/zinc/30/04/79/388300479.db2.gz YJJSASGVQRPYAN-SFYZADRCSA-N 1 2 211.252 0.705 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)NC(C)C)CCO1 ZINC000491584336 388304424 /nfs/dbraw/zinc/30/44/24/388304424.db2.gz RXGVPRKRSHYSHY-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)NC(C)C)CCO1 ZINC000491584336 388304425 /nfs/dbraw/zinc/30/44/25/388304425.db2.gz RXGVPRKRSHYSHY-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313674744 256594855 /nfs/dbraw/zinc/59/48/55/256594855.db2.gz JMUFKIJIPBXXAA-LBPRGKRZSA-N 1 2 245.319 0.147 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313674744 256594859 /nfs/dbraw/zinc/59/48/59/256594859.db2.gz JMUFKIJIPBXXAA-LBPRGKRZSA-N 1 2 245.319 0.147 20 0 BCADLO O=C(NCCCCO)NCCCn1cc[nH+]c1 ZINC000491854890 388324865 /nfs/dbraw/zinc/32/48/65/388324865.db2.gz UOHKGMOXNXAVPT-UHFFFAOYSA-N 1 2 240.307 0.345 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\C1CC1 ZINC000491951613 388329274 /nfs/dbraw/zinc/32/92/74/388329274.db2.gz XIBPJBQRNAIWBO-WYGGZMRJSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\C1CC1 ZINC000491951613 388329275 /nfs/dbraw/zinc/32/92/75/388329275.db2.gz XIBPJBQRNAIWBO-WYGGZMRJSA-N 1 2 238.331 0.790 20 0 BCADLO Cc1noc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000645957366 388274636 /nfs/dbraw/zinc/27/46/36/388274636.db2.gz FDHSHDLCZJIRDI-ZCFIWIBFSA-N 1 2 224.264 0.246 20 0 BCADLO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000451453378 388274707 /nfs/dbraw/zinc/27/47/07/388274707.db2.gz IGPPIACPFMETJY-DTWKUNHWSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000451453378 388274709 /nfs/dbraw/zinc/27/47/09/388274709.db2.gz IGPPIACPFMETJY-DTWKUNHWSA-N 1 2 240.307 0.481 20 0 BCADLO C/C=C/C=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491200663 388276775 /nfs/dbraw/zinc/27/67/75/388276775.db2.gz QXBIHEOILZBAIS-WBOWPWJFSA-N 1 2 238.331 0.956 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451507438 388278338 /nfs/dbraw/zinc/27/83/38/388278338.db2.gz WYXMKGYPAASMDB-FXBDTBDDSA-N 1 2 215.293 0.809 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](O)C1 ZINC000492316359 388341203 /nfs/dbraw/zinc/34/12/03/388341203.db2.gz GTPHFEPIGINTPM-XOULXFPDSA-N 1 2 235.287 0.509 20 0 BCADLO COC(=O)CCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275664295 388344888 /nfs/dbraw/zinc/34/48/88/388344888.db2.gz YJNHSPPUFZKJHX-QMMMGPOBSA-N 1 2 226.280 0.419 20 0 BCADLO C[C@@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000276485439 388349877 /nfs/dbraw/zinc/34/98/77/388349877.db2.gz GSNCYARPIINKGI-SECBINFHSA-N 1 2 223.276 0.381 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305826262 388350767 /nfs/dbraw/zinc/35/07/67/388350767.db2.gz SQGHXSABIJGCPW-GHMZBOCLSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305826262 388350768 /nfs/dbraw/zinc/35/07/68/388350768.db2.gz SQGHXSABIJGCPW-GHMZBOCLSA-N 1 2 238.335 0.798 20 0 BCADLO COC(=O)[C@H](NCCn1cc[nH+]c1)C1CC1 ZINC000234564750 388356609 /nfs/dbraw/zinc/35/66/09/388356609.db2.gz JTHFGNJFGDPASZ-SNVBAGLBSA-N 1 2 223.276 0.424 20 0 BCADLO COC(=O)[C@@H](NCCn1cc[nH+]c1)C1CC1 ZINC000234552659 388356804 /nfs/dbraw/zinc/35/68/04/388356804.db2.gz JTHFGNJFGDPASZ-JTQLQIEISA-N 1 2 223.276 0.424 20 0 BCADLO Cc1n[nH]cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524400714 388358359 /nfs/dbraw/zinc/35/83/59/388358359.db2.gz KKOYOHXHUKEINH-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@](C)(O)C1 ZINC000234784976 388359450 /nfs/dbraw/zinc/35/94/50/388359450.db2.gz JYFNOSPBXMWHCN-JTQLQIEISA-N 1 2 224.264 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@](C)(O)C1 ZINC000234784976 388359453 /nfs/dbraw/zinc/35/94/53/388359453.db2.gz JYFNOSPBXMWHCN-JTQLQIEISA-N 1 2 224.264 0.029 20 0 BCADLO COC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000648792458 388362044 /nfs/dbraw/zinc/36/20/44/388362044.db2.gz GXKWSLWIBKHZOB-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1[C@H](C)C[N@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000572706523 388368414 /nfs/dbraw/zinc/36/84/14/388368414.db2.gz QTOPERQCHYIUMK-PRJMDXOYSA-N 1 2 238.295 0.115 20 0 BCADLO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)Nc2nn[nH]n2)[C@H]1C ZINC000572706523 388368416 /nfs/dbraw/zinc/36/84/16/388368416.db2.gz QTOPERQCHYIUMK-PRJMDXOYSA-N 1 2 238.295 0.115 20 0 BCADLO C[C@@H]1COCCN1c1nc[nH+]c(N)c1Cl ZINC000227847393 388371916 /nfs/dbraw/zinc/37/19/16/388371916.db2.gz RKSKNGNCIOWVBB-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO C[C@@H](CC(=O)NCC1(O)CCC1)n1cc[nH+]c1 ZINC000572771470 388374177 /nfs/dbraw/zinc/37/41/77/388374177.db2.gz IYZPODXDVXRGFE-JTQLQIEISA-N 1 2 237.303 0.865 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H]3O)ccn12 ZINC000519644085 256653827 /nfs/dbraw/zinc/65/38/27/256653827.db2.gz INMRMBOXABHHEF-GHMZBOCLSA-N 1 2 245.282 0.896 20 0 BCADLO Nc1[nH+]cnc(NC[C@H](O)C(F)F)c1Cl ZINC000236361331 388379510 /nfs/dbraw/zinc/37/95/10/388379510.db2.gz TZPHFBRWUYTJPN-VKHMYHEASA-N 1 2 238.625 0.750 20 0 BCADLO Nc1nc[nH+]c(NC[C@H](O)C(F)F)c1Cl ZINC000236361331 388379511 /nfs/dbraw/zinc/37/95/11/388379511.db2.gz TZPHFBRWUYTJPN-VKHMYHEASA-N 1 2 238.625 0.750 20 0 BCADLO Cc1noc(C)c1CC[N@@H+](C)CC(=O)N(C)C ZINC000164729471 388382693 /nfs/dbraw/zinc/38/26/93/388382693.db2.gz QOUURTSKKQJWQZ-UHFFFAOYSA-N 1 2 239.319 0.854 20 0 BCADLO Cc1noc(C)c1CC[N@H+](C)CC(=O)N(C)C ZINC000164729471 388382694 /nfs/dbraw/zinc/38/26/94/388382694.db2.gz QOUURTSKKQJWQZ-UHFFFAOYSA-N 1 2 239.319 0.854 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)C(C)C ZINC000218059974 388386384 /nfs/dbraw/zinc/38/63/84/388386384.db2.gz GISMVJXRWUCFSX-WPRPVWTQSA-N 1 2 228.292 0.052 20 0 BCADLO CCO[C@H](CCNC(=O)CC[NH3+])C(C)C ZINC000236940366 388386752 /nfs/dbraw/zinc/38/67/52/388386752.db2.gz DGUVAOGFCVVOEL-SNVBAGLBSA-N 1 2 216.325 0.903 20 0 BCADLO CCCN(CCC)C(=O)CN1CC[NH2+]CC1=O ZINC000236979365 388387270 /nfs/dbraw/zinc/38/72/70/388387270.db2.gz LLKXHDMDXFHOCB-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229579397 388393681 /nfs/dbraw/zinc/39/36/81/388393681.db2.gz QNXFNEZCIUACEQ-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229579397 388393685 /nfs/dbraw/zinc/39/36/85/388393685.db2.gz QNXFNEZCIUACEQ-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H]1OCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000134267450 388397544 /nfs/dbraw/zinc/39/75/44/388397544.db2.gz AWEBJBSMVQIVFV-VXNVDRBHSA-N 1 2 233.275 0.953 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)C1CCC1 ZINC000315770073 388402780 /nfs/dbraw/zinc/40/27/80/388402780.db2.gz PSJKIRIRLFBVLF-NSHDSACASA-N 1 2 209.293 0.969 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000525978039 388440749 /nfs/dbraw/zinc/44/07/49/388440749.db2.gz FCWMWNQVKCCKGS-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCN(C)C(=O)C1 ZINC000525978039 388440751 /nfs/dbraw/zinc/44/07/51/388440751.db2.gz FCWMWNQVKCCKGS-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO COC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000525978109 388441220 /nfs/dbraw/zinc/44/12/20/388441220.db2.gz RSGXLUNLORFNTK-SECBINFHSA-N 1 2 203.257 0.836 20 0 BCADLO COC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000525978109 388441222 /nfs/dbraw/zinc/44/12/22/388441222.db2.gz RSGXLUNLORFNTK-SECBINFHSA-N 1 2 203.257 0.836 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000330363515 388443169 /nfs/dbraw/zinc/44/31/69/388443169.db2.gz IQIFPUGPGYTIED-WCBMZHEXSA-N 1 2 201.266 0.300 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246450797 388443527 /nfs/dbraw/zinc/44/35/27/388443527.db2.gz IXUVOJBWASTMOQ-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246450797 388443530 /nfs/dbraw/zinc/44/35/30/388443530.db2.gz IXUVOJBWASTMOQ-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C)c1cncc(F)c1 ZINC000330834232 388444533 /nfs/dbraw/zinc/44/45/33/388444533.db2.gz ZPLZHAANOIWTRP-SSDOTTSWSA-N 1 2 236.254 0.595 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@H]2C[C@H]21 ZINC000646745077 388453734 /nfs/dbraw/zinc/45/37/34/388453734.db2.gz VXEZURAFXJOWST-MNOVXSKESA-N 1 2 243.266 0.948 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCC1=O ZINC000526018387 388454772 /nfs/dbraw/zinc/45/47/72/388454772.db2.gz FMHQRXULMRALIN-VIFPVBQESA-N 1 2 235.287 0.400 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194904558 388455354 /nfs/dbraw/zinc/45/53/54/388455354.db2.gz RITLJNSVTXLYKB-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194904558 388455355 /nfs/dbraw/zinc/45/53/55/388455355.db2.gz RITLJNSVTXLYKB-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)O)cn21 ZINC000649207284 388458642 /nfs/dbraw/zinc/45/86/42/388458642.db2.gz YVBBZCDMZLIMGS-SNVBAGLBSA-N 1 2 247.298 0.682 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1CCCC1 ZINC000074916995 388461791 /nfs/dbraw/zinc/46/17/91/388461791.db2.gz PGXHJVWNPGDJJC-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO Cc1nnc(C[NH+]2CCC(CO)CC2)[nH]1 ZINC000336667950 388461835 /nfs/dbraw/zinc/46/18/35/388461835.db2.gz DXTFKBWFQHUIMB-UHFFFAOYSA-N 1 2 210.281 0.317 20 0 BCADLO CC(C)(C)OC(=O)NCC[NH+]1CCOCC1 ZINC000075244061 388462994 /nfs/dbraw/zinc/46/29/94/388462994.db2.gz OXDYASFROJBNKO-UHFFFAOYSA-N 1 2 230.308 0.843 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000336711769 388466053 /nfs/dbraw/zinc/46/60/53/388466053.db2.gz UQEACCYZIUHKEV-VXNVDRBHSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000336711769 388466054 /nfs/dbraw/zinc/46/60/54/388466054.db2.gz UQEACCYZIUHKEV-VXNVDRBHSA-N 1 2 210.281 0.316 20 0 BCADLO COC1(C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000648858143 388471839 /nfs/dbraw/zinc/47/18/39/388471839.db2.gz IXJLXHSHXLKICA-UHFFFAOYSA-N 1 2 235.287 0.713 20 0 BCADLO COC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000648866984 388475459 /nfs/dbraw/zinc/47/54/59/388475459.db2.gz XEOYIIVUUXFGBV-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)oc1C ZINC000573060803 388414623 /nfs/dbraw/zinc/41/46/23/388414623.db2.gz RQXHVYRGXSDFDC-GHMZBOCLSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)oc1C ZINC000573060803 388414624 /nfs/dbraw/zinc/41/46/24/388414624.db2.gz RQXHVYRGXSDFDC-GHMZBOCLSA-N 1 2 240.303 0.467 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)CC1CCOCC1 ZINC000174814837 388415352 /nfs/dbraw/zinc/41/53/52/388415352.db2.gz OWWDXDHRGMMETP-UHFFFAOYSA-N 1 2 210.281 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)CC1CCOCC1 ZINC000174814837 388415354 /nfs/dbraw/zinc/41/53/54/388415354.db2.gz OWWDXDHRGMMETP-UHFFFAOYSA-N 1 2 210.281 0.663 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000245382077 388415556 /nfs/dbraw/zinc/41/55/56/388415556.db2.gz GXPHGCMEXLNZFQ-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000245382077 388415558 /nfs/dbraw/zinc/41/55/58/388415558.db2.gz GXPHGCMEXLNZFQ-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO COC(=O)C(C)(C)C[NH2+]Cc1ccn[nH]1 ZINC000134754054 388479381 /nfs/dbraw/zinc/47/93/81/388479381.db2.gz CTUYHAUKCHBHQJ-UHFFFAOYSA-N 1 2 211.265 0.699 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000400018617 388423767 /nfs/dbraw/zinc/42/37/67/388423767.db2.gz AWXNRNNHHCMEDT-NXEZZACHSA-N 1 2 223.276 0.112 20 0 BCADLO Cc1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000166398572 388426603 /nfs/dbraw/zinc/42/66/03/388426603.db2.gz OPCZDRHODWEXAQ-YUMQZZPRSA-N 1 2 211.265 0.627 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000336887705 388429988 /nfs/dbraw/zinc/42/99/88/388429988.db2.gz DKKXSNOOCBVANR-JGVFFNPUSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000245808448 388432243 /nfs/dbraw/zinc/43/22/43/388432243.db2.gz FFMCXPYJOYNLTN-HTQZYQBOSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000245808448 388432246 /nfs/dbraw/zinc/43/22/46/388432246.db2.gz FFMCXPYJOYNLTN-HTQZYQBOSA-N 1 2 203.307 0.985 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000573217859 388432643 /nfs/dbraw/zinc/43/26/43/388432643.db2.gz SLLQTTOEXPEBAR-GXSJLCMTSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCO1 ZINC000573217859 388432647 /nfs/dbraw/zinc/43/26/47/388432647.db2.gz SLLQTTOEXPEBAR-GXSJLCMTSA-N 1 2 237.303 0.884 20 0 BCADLO COC(=O)NCCNc1cc[nH+]c(C)n1 ZINC000308348142 388436344 /nfs/dbraw/zinc/43/63/44/388436344.db2.gz WSPDTYDGQAORSU-UHFFFAOYSA-N 1 2 210.237 0.553 20 0 BCADLO CCC[C@@H]([NH2+][C@@H](C)CC(=O)NC)C(=O)OCC ZINC000322515235 388436778 /nfs/dbraw/zinc/43/67/78/388436778.db2.gz BHHFIYJFPVFXTL-VHSXEESVSA-N 1 2 244.335 0.832 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@@H]1C ZINC000246076749 388438017 /nfs/dbraw/zinc/43/80/17/388438017.db2.gz DUHMIHJDBOWILX-HBNTYKKESA-N 1 2 241.335 0.415 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C)CCOC1 ZINC000517172000 388540514 /nfs/dbraw/zinc/54/05/14/388540514.db2.gz CTOKMDVKQVHDHZ-LBPRGKRZSA-N 1 2 237.303 0.946 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528519652 388541466 /nfs/dbraw/zinc/54/14/66/388541466.db2.gz VHBZBXKKKQYABI-VIFPVBQESA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528519652 388541468 /nfs/dbraw/zinc/54/14/68/388541468.db2.gz VHBZBXKKKQYABI-VIFPVBQESA-N 1 2 242.706 0.928 20 0 BCADLO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353724430 388542945 /nfs/dbraw/zinc/54/29/45/388542945.db2.gz MBWFIQVGBSQTLQ-MRVPVSSYSA-N 1 2 237.307 0.063 20 0 BCADLO C[C@@H](O)C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000354427750 388543248 /nfs/dbraw/zinc/54/32/48/388543248.db2.gz LKBMWKFCOYFEBH-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H](O)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC000548519444 388545448 /nfs/dbraw/zinc/54/54/48/388545448.db2.gz NNXWGUBNPZQEQW-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC000548519443 388545536 /nfs/dbraw/zinc/54/55/36/388545536.db2.gz NNXWGUBNPZQEQW-SECBINFHSA-N 1 2 225.292 0.192 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000648900238 388486161 /nfs/dbraw/zinc/48/61/61/388486161.db2.gz NBHMMAUDWGQHRD-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO Cn1nccc1/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000135488001 388497731 /nfs/dbraw/zinc/49/77/31/388497731.db2.gz BYPUDTYTORVZCL-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc([S@@](C)=O)cc1 ZINC000178423927 388499225 /nfs/dbraw/zinc/49/92/25/388499225.db2.gz PWEPSWRKLYHHHW-MRXNPFEDSA-N 1 2 240.328 0.341 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc([S@@](C)=O)cc1 ZINC000178423927 388499226 /nfs/dbraw/zinc/49/92/26/388499226.db2.gz PWEPSWRKLYHHHW-MRXNPFEDSA-N 1 2 240.328 0.341 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cn[nH]c1 ZINC000516783557 256802098 /nfs/dbraw/zinc/80/20/98/256802098.db2.gz IBSPUKZVECMBCV-SECBINFHSA-N 1 2 236.319 0.929 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@H]2CO)o1 ZINC000548116826 388514688 /nfs/dbraw/zinc/51/46/88/388514688.db2.gz GZOBTJYEYZUJGA-DTWKUNHWSA-N 1 2 226.276 0.165 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@H]2CO)o1 ZINC000548116826 388514689 /nfs/dbraw/zinc/51/46/89/388514689.db2.gz GZOBTJYEYZUJGA-DTWKUNHWSA-N 1 2 226.276 0.165 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000345799219 388515453 /nfs/dbraw/zinc/51/54/53/388515453.db2.gz JSVZODMOSUCZGU-LLVKDONJSA-N 1 2 239.319 0.654 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000345844463 388516570 /nfs/dbraw/zinc/51/65/70/388516570.db2.gz VNWSBIORGKWFAE-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000345844463 388516573 /nfs/dbraw/zinc/51/65/73/388516573.db2.gz VNWSBIORGKWFAE-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO Cc1ncc(CNC(=O)C[NH+]2CC(C)(C)C2)o1 ZINC000516784939 388516938 /nfs/dbraw/zinc/51/69/38/388516938.db2.gz SDMPZNMTWRSWKD-UHFFFAOYSA-N 1 2 237.303 0.941 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCSCC1 ZINC000548191370 388520938 /nfs/dbraw/zinc/52/09/38/388520938.db2.gz ZLSBPJPAZNTBMZ-UHFFFAOYSA-N 1 2 239.344 0.928 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528443609 388527493 /nfs/dbraw/zinc/52/74/93/388527493.db2.gz QVGJAUXDGCXKRB-QZGLAHODSA-N 1 2 232.711 0.576 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528443609 388527495 /nfs/dbraw/zinc/52/74/95/388527495.db2.gz QVGJAUXDGCXKRB-QZGLAHODSA-N 1 2 232.711 0.576 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)CCC1=O ZINC000528458317 388528570 /nfs/dbraw/zinc/52/85/70/388528570.db2.gz HYVHXLOXWZOIJD-WDEREUQCSA-N 1 2 241.331 0.563 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCC2)CCC1=O ZINC000528458317 388528573 /nfs/dbraw/zinc/52/85/73/388528573.db2.gz HYVHXLOXWZOIJD-WDEREUQCSA-N 1 2 241.331 0.563 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)CCC1=O ZINC000528458312 388529071 /nfs/dbraw/zinc/52/90/71/388529071.db2.gz HYVHXLOXWZOIJD-MNOVXSKESA-N 1 2 241.331 0.563 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CCC1=O ZINC000528458312 388529072 /nfs/dbraw/zinc/52/90/72/388529072.db2.gz HYVHXLOXWZOIJD-MNOVXSKESA-N 1 2 241.331 0.563 20 0 BCADLO O=C(NC(CF)CF)[C@@H]1CCc2c[nH+]cn2C1 ZINC000516972359 388529942 /nfs/dbraw/zinc/52/99/42/388529942.db2.gz AVXKRDYVMKWLEU-MRVPVSSYSA-N 1 2 243.257 0.869 20 0 BCADLO O=C(CO)Nc1ccccc1-n1cc[nH+]c1 ZINC000136343315 388531661 /nfs/dbraw/zinc/53/16/61/388531661.db2.gz OWGRNWDVTVZKCK-UHFFFAOYSA-N 1 2 217.228 0.803 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1 ZINC000528497415 388535607 /nfs/dbraw/zinc/53/56/07/388535607.db2.gz LPFNASWCLRFGHG-WZQQGRKQSA-N 1 2 242.710 0.841 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1 ZINC000528497415 388535608 /nfs/dbraw/zinc/53/56/08/388535608.db2.gz LPFNASWCLRFGHG-WZQQGRKQSA-N 1 2 242.710 0.841 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](C/C=C(/C)Cl)C1 ZINC000528496171 388535660 /nfs/dbraw/zinc/53/56/60/388535660.db2.gz BCENXHCAXQDIDE-MTMYIVCTSA-N 1 2 232.711 0.704 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](C/C=C(/C)Cl)C1 ZINC000528496171 388535662 /nfs/dbraw/zinc/53/56/62/388535662.db2.gz BCENXHCAXQDIDE-MTMYIVCTSA-N 1 2 232.711 0.704 20 0 BCADLO COC[C@@H](CCO)[NH2+]Cc1cn[nH]c1C ZINC000219136086 388588923 /nfs/dbraw/zinc/58/89/23/388588923.db2.gz MTJTVMGKRBIMLG-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO CC(C)c1nc(N2CCNC(=O)C2)cc[nH+]1 ZINC000106462242 388595570 /nfs/dbraw/zinc/59/55/70/388595570.db2.gz HYDZBJWCPACECY-UHFFFAOYSA-N 1 2 220.276 0.536 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529985275 388601605 /nfs/dbraw/zinc/60/16/05/388601605.db2.gz TVWDJRYFIRPFBU-APOZVJGGSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1c[nH]c[nH+]1 ZINC000186600271 388601775 /nfs/dbraw/zinc/60/17/75/388601775.db2.gz VOCKAYBHQVRPLO-JEZHCXPESA-N 1 2 220.276 0.639 20 0 BCADLO CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CCO1 ZINC000245959392 388611249 /nfs/dbraw/zinc/61/12/49/388611249.db2.gz DCVBTNBUHWECBA-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C(C)(C)C1 ZINC000548726538 388555292 /nfs/dbraw/zinc/55/52/92/388555292.db2.gz WJLPURUIINRJKA-JTQLQIEISA-N 1 2 237.303 0.192 20 0 BCADLO CC(C)(C(=O)N1CCC(=O)CC1)c1c[nH+]c[nH]1 ZINC000517642246 388556538 /nfs/dbraw/zinc/55/65/38/388556538.db2.gz IXJCVVIDXBVEKE-UHFFFAOYSA-N 1 2 235.287 0.879 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCF ZINC000137109660 388558440 /nfs/dbraw/zinc/55/84/40/388558440.db2.gz VLHIXYSFAVLRDY-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO CCOc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000362967463 388561935 /nfs/dbraw/zinc/56/19/35/388561935.db2.gz RLGANFBQUMRMNM-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO CN(CC(F)F)C(=O)Cc1c[nH+]cn1C ZINC000548788525 388562025 /nfs/dbraw/zinc/56/20/25/388562025.db2.gz VPOODFBFFBFKQW-UHFFFAOYSA-N 1 2 217.219 0.686 20 0 BCADLO O=S(=O)(C1CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367488318 388565593 /nfs/dbraw/zinc/56/55/93/388565593.db2.gz HBPSQXWJMIGAQN-SSDOTTSWSA-N 1 2 240.275 0.018 20 0 BCADLO COc1cc(C)nc(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000521231465 388565728 /nfs/dbraw/zinc/56/57/28/388565728.db2.gz NKAFCZLOQAXGDA-UHFFFAOYSA-N 1 2 249.314 0.706 20 0 BCADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000081029345 388566180 /nfs/dbraw/zinc/56/61/80/388566180.db2.gz OPSTZCGEQVDSHG-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000081029345 388566181 /nfs/dbraw/zinc/56/61/81/388566181.db2.gz OPSTZCGEQVDSHG-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CCO[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000548873390 388566668 /nfs/dbraw/zinc/56/66/68/388566668.db2.gz MGJPOTTTXXZDQY-RKDXNWHRSA-N 1 2 233.275 0.953 20 0 BCADLO CCO[C@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000548873381 388567043 /nfs/dbraw/zinc/56/70/43/388567043.db2.gz MGJPOTTTXXZDQY-BDAKNGLRSA-N 1 2 233.275 0.953 20 0 BCADLO CCn1ccc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000521257142 388567060 /nfs/dbraw/zinc/56/70/60/388567060.db2.gz DTYSYFABFBXDNH-UHFFFAOYSA-N 1 2 233.275 0.416 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000528764919 388568828 /nfs/dbraw/zinc/56/88/28/388568828.db2.gz PBIHHOPEBCYOPN-LKHWLPBLSA-N 1 2 226.280 0.412 20 0 BCADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000528775829 388570950 /nfs/dbraw/zinc/57/09/50/388570950.db2.gz ZUUNITVXHUUTIQ-ZETCQYMHSA-N 1 2 246.261 0.728 20 0 BCADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000528775829 388570951 /nfs/dbraw/zinc/57/09/51/388570951.db2.gz ZUUNITVXHUUTIQ-ZETCQYMHSA-N 1 2 246.261 0.728 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000245437042 388578646 /nfs/dbraw/zinc/57/86/46/388578646.db2.gz RGWSIYBHLAXRMT-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000245437042 388578648 /nfs/dbraw/zinc/57/86/48/388578648.db2.gz RGWSIYBHLAXRMT-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO COCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000549469165 388581659 /nfs/dbraw/zinc/58/16/59/388581659.db2.gz SPDWXMMBEMDOQW-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000125389636 388671623 /nfs/dbraw/zinc/67/16/23/388671623.db2.gz CZWNRPDKGDHKNC-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC000125389636 388671627 /nfs/dbraw/zinc/67/16/27/388671627.db2.gz CZWNRPDKGDHKNC-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247957828 388672373 /nfs/dbraw/zinc/67/23/73/388672373.db2.gz FVDHJPBIWGHAHR-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247957828 388672374 /nfs/dbraw/zinc/67/23/74/388672374.db2.gz FVDHJPBIWGHAHR-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248618914 388686493 /nfs/dbraw/zinc/68/64/93/388686493.db2.gz LOSBPQJGUOOCEO-YNHOBRIKSA-N 1 2 248.392 0.600 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248618914 388686494 /nfs/dbraw/zinc/68/64/94/388686494.db2.gz LOSBPQJGUOOCEO-YNHOBRIKSA-N 1 2 248.392 0.600 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248446478 388679783 /nfs/dbraw/zinc/67/97/83/388679783.db2.gz COVNSZWOBUKCAM-MGPLVRAMSA-N 1 2 248.392 0.602 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248446478 388679784 /nfs/dbraw/zinc/67/97/84/388679784.db2.gz COVNSZWOBUKCAM-MGPLVRAMSA-N 1 2 248.392 0.602 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C2CC2)CC1 ZINC000125937712 388683342 /nfs/dbraw/zinc/68/33/42/388683342.db2.gz BLNUVDXZJFOSOT-JTQLQIEISA-N 1 2 237.347 0.434 20 0 BCADLO C[C@@H]1C[N@H+](CCN(C)CC(F)F)CCO1 ZINC000192733103 388683877 /nfs/dbraw/zinc/68/38/77/388683877.db2.gz TZWJNBKIGQYZCP-SECBINFHSA-N 1 2 222.279 0.904 20 0 BCADLO C[C@@H]1C[N@@H+](CCN(C)CC(F)F)CCO1 ZINC000192733103 388683879 /nfs/dbraw/zinc/68/38/79/388683879.db2.gz TZWJNBKIGQYZCP-SECBINFHSA-N 1 2 222.279 0.904 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246140530 388619723 /nfs/dbraw/zinc/61/97/23/388619723.db2.gz XIEUJFZHCIPRRV-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246140530 388619724 /nfs/dbraw/zinc/61/97/24/388619724.db2.gz XIEUJFZHCIPRRV-GMTAPVOTSA-N 1 2 226.320 0.716 20 0 BCADLO CC(=O)C1(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000551014031 388620241 /nfs/dbraw/zinc/62/02/41/388620241.db2.gz OQUGYHOQOGFEOD-UHFFFAOYSA-N 1 2 233.271 0.595 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCOCC1CC1 ZINC000189539817 388636056 /nfs/dbraw/zinc/63/60/56/388636056.db2.gz ZEFWHIILRVKAHQ-VIFPVBQESA-N 1 2 239.323 0.630 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCOCC1CC1 ZINC000189539817 388636057 /nfs/dbraw/zinc/63/60/57/388636057.db2.gz ZEFWHIILRVKAHQ-VIFPVBQESA-N 1 2 239.323 0.630 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC)C(C)C ZINC000083399604 388638938 /nfs/dbraw/zinc/63/89/38/388638938.db2.gz RTFGEGAAMUBXLA-IUCAKERBSA-N 1 2 203.282 0.809 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCc1ccncc1 ZINC000189802072 388644105 /nfs/dbraw/zinc/64/41/05/388644105.db2.gz GONUOSLNMSVHFN-SNVBAGLBSA-N 1 2 246.318 0.841 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCc1ccncc1 ZINC000189802072 388644107 /nfs/dbraw/zinc/64/41/07/388644107.db2.gz GONUOSLNMSVHFN-SNVBAGLBSA-N 1 2 246.318 0.841 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328684394 388646525 /nfs/dbraw/zinc/64/65/25/388646525.db2.gz WTNQKSIQTDLGTC-IMTBSYHQSA-N 1 2 212.253 0.167 20 0 BCADLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnnn1C ZINC000530336209 388650139 /nfs/dbraw/zinc/65/01/39/388650139.db2.gz SAGLXXJTINTJHJ-MRVPVSSYSA-N 1 2 249.322 0.530 20 0 BCADLO C[C@]1(F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000551969482 388650363 /nfs/dbraw/zinc/65/03/63/388650363.db2.gz HBKSCXBVLHTDFE-JTQLQIEISA-N 1 2 211.240 0.844 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC[C@H]1CCCO1 ZINC000530340220 388650983 /nfs/dbraw/zinc/65/09/83/388650983.db2.gz XLXUYXNVHJQCDM-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000530340220 388650986 /nfs/dbraw/zinc/65/09/86/388650986.db2.gz XLXUYXNVHJQCDM-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@]1(CO)CCC[N@@H+]1Cc1csnn1 ZINC000530390403 388653727 /nfs/dbraw/zinc/65/37/27/388653727.db2.gz RJRUVYUQVCYAOJ-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO C[C@]1(CO)CCC[N@H+]1Cc1csnn1 ZINC000530390403 388653729 /nfs/dbraw/zinc/65/37/29/388653729.db2.gz RJRUVYUQVCYAOJ-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](CCOCCO)C1CC1 ZINC000190832316 388656835 /nfs/dbraw/zinc/65/68/35/388656835.db2.gz YHHNOVVDMLAXOO-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](CCOCCO)C1CC1 ZINC000190832316 388656837 /nfs/dbraw/zinc/65/68/37/388656837.db2.gz YHHNOVVDMLAXOO-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553006508 388745213 /nfs/dbraw/zinc/74/52/13/388745213.db2.gz CGKBSAAPIYWZQI-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194901264 388745983 /nfs/dbraw/zinc/74/59/83/388745983.db2.gz JAUSMFTVODONCT-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194901264 388745986 /nfs/dbraw/zinc/74/59/86/388745986.db2.gz JAUSMFTVODONCT-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000251588802 388749286 /nfs/dbraw/zinc/74/92/86/388749286.db2.gz FKQNCSHDKQDWEO-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000251588802 388749288 /nfs/dbraw/zinc/74/92/88/388749288.db2.gz FKQNCSHDKQDWEO-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448657 388694233 /nfs/dbraw/zinc/69/42/33/388694233.db2.gz DHDTYLTZMOTEBA-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448657 388694236 /nfs/dbraw/zinc/69/42/36/388694236.db2.gz DHDTYLTZMOTEBA-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO CCOC(=O)C[N@@H+](CC(=O)N(C)C)CC(C)C ZINC000065542539 388695051 /nfs/dbraw/zinc/69/50/51/388695051.db2.gz QKJGKBCHASJBIK-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(=O)C[N@H+](CC(=O)N(C)C)CC(C)C ZINC000065542539 388695054 /nfs/dbraw/zinc/69/50/54/388695054.db2.gz QKJGKBCHASJBIK-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000248860678 388696549 /nfs/dbraw/zinc/69/65/49/388696549.db2.gz AEEMGLHQCCXMFF-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000248860678 388696552 /nfs/dbraw/zinc/69/65/52/388696552.db2.gz AEEMGLHQCCXMFF-DTWKUNHWSA-N 1 2 225.296 0.382 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248942520 388699775 /nfs/dbraw/zinc/69/97/75/388699775.db2.gz CWDJVDXWHVLPGY-LDYMZIIASA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248942520 388699777 /nfs/dbraw/zinc/69/97/77/388699777.db2.gz CWDJVDXWHVLPGY-LDYMZIIASA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000251898647 388755890 /nfs/dbraw/zinc/75/58/90/388755890.db2.gz QUXYUNVSGAIJIE-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO CN(C(=O)C[N@H+](C)Cc1cnn(C)c1)C1CC1 ZINC000066411428 388717266 /nfs/dbraw/zinc/71/72/66/388717266.db2.gz VONPOXCTHJBRKP-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO CN(C(=O)C[N@@H+](C)Cc1cnn(C)c1)C1CC1 ZINC000066411428 388717267 /nfs/dbraw/zinc/71/72/67/388717267.db2.gz VONPOXCTHJBRKP-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO COC[C@@H](CNc1cc[nH+]c(C)n1)OC ZINC000227700798 388756651 /nfs/dbraw/zinc/75/66/51/388756651.db2.gz NVSZMHHZLQOGHA-SECBINFHSA-N 1 2 211.265 0.858 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249563464 388728019 /nfs/dbraw/zinc/72/80/19/388728019.db2.gz MIZRNBCQFCSOSJ-ZJUUUORDSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249563464 388728021 /nfs/dbraw/zinc/72/80/21/388728021.db2.gz MIZRNBCQFCSOSJ-ZJUUUORDSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccon2)CCO1 ZINC000523051971 388793503 /nfs/dbraw/zinc/79/35/03/388793503.db2.gz ZTVWAYZJVFYJLH-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccon2)CCO1 ZINC000523051971 388793507 /nfs/dbraw/zinc/79/35/07/388793507.db2.gz ZTVWAYZJVFYJLH-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO Cc1cccn2cc(CCNC(=O)[C@@H](C)O)[nH+]c12 ZINC000649095678 388800679 /nfs/dbraw/zinc/80/06/79/388800679.db2.gz LFNUYIKNAFFMIB-SNVBAGLBSA-N 1 2 247.298 0.682 20 0 BCADLO C[C@H]1C[NH+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)S1 ZINC000092618890 388813938 /nfs/dbraw/zinc/81/39/38/388813938.db2.gz WPZNJXPPRIAPDU-BQBZGAKWSA-N 1 2 228.321 0.836 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)[nH]1 ZINC000540347062 388804632 /nfs/dbraw/zinc/80/46/32/388804632.db2.gz YOSZZEWGDPODAM-RKDXNWHRSA-N 1 2 238.291 0.511 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(O)cc2)CC(=O)N1 ZINC000648751796 388806208 /nfs/dbraw/zinc/80/62/08/388806208.db2.gz HAUHANQWRHAWIN-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CC(=O)N1 ZINC000648751796 388806211 /nfs/dbraw/zinc/80/62/11/388806211.db2.gz HAUHANQWRHAWIN-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000522536635 388759863 /nfs/dbraw/zinc/75/98/63/388759863.db2.gz YPRDJBLENXVCRX-GFCCVEGCSA-N 1 2 246.314 0.374 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000522536635 388759868 /nfs/dbraw/zinc/75/98/68/388759868.db2.gz YPRDJBLENXVCRX-GFCCVEGCSA-N 1 2 246.314 0.374 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cccc(=O)[nH]2)c[nH+]1 ZINC000539694593 388772497 /nfs/dbraw/zinc/77/24/97/388772497.db2.gz ICSDUGQTCCQILY-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)S1 ZINC000092618889 388812726 /nfs/dbraw/zinc/81/27/26/388812726.db2.gz WPZNJXPPRIAPDU-KNVOCYPGSA-N 1 2 228.321 0.836 20 0 BCADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)S1 ZINC000092618889 388812728 /nfs/dbraw/zinc/81/27/28/388812728.db2.gz WPZNJXPPRIAPDU-KNVOCYPGSA-N 1 2 228.321 0.836 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000539830590 388782980 /nfs/dbraw/zinc/78/29/80/388782980.db2.gz GYNUDAHPSKEXRC-LLVKDONJSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000539830590 388782983 /nfs/dbraw/zinc/78/29/83/388782983.db2.gz GYNUDAHPSKEXRC-LLVKDONJSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000539830590 388782986 /nfs/dbraw/zinc/78/29/86/388782986.db2.gz GYNUDAHPSKEXRC-LLVKDONJSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000539830590 388782990 /nfs/dbraw/zinc/78/29/90/388782990.db2.gz GYNUDAHPSKEXRC-LLVKDONJSA-N 1 2 247.298 0.756 20 0 BCADLO O[C@H]1CCCC[C@H]1[N@@H+]1CCn2nncc2C1 ZINC000564224586 388785194 /nfs/dbraw/zinc/78/51/94/388785194.db2.gz WYGNSVUIZQRVAA-MNOVXSKESA-N 1 2 222.292 0.397 20 0 BCADLO O[C@H]1CCCC[C@H]1[N@H+]1CCn2nncc2C1 ZINC000564224586 388785195 /nfs/dbraw/zinc/78/51/95/388785195.db2.gz WYGNSVUIZQRVAA-MNOVXSKESA-N 1 2 222.292 0.397 20 0 BCADLO COC1(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000648753211 388813239 /nfs/dbraw/zinc/81/32/39/388813239.db2.gz IFHAXISDSCKAEU-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO CC[C@@H]1COCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000253355938 388815184 /nfs/dbraw/zinc/81/51/84/388815184.db2.gz WDXQRUDXBIRBHZ-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1COCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000253355938 388815188 /nfs/dbraw/zinc/81/51/88/388815188.db2.gz WDXQRUDXBIRBHZ-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000554600266 388823691 /nfs/dbraw/zinc/82/36/91/388823691.db2.gz BVHBYEYBSLWVCD-GHMZBOCLSA-N 1 2 237.303 0.382 20 0 BCADLO Cn1cc(C[N@H+](CCO)Cc2ccccc2)nn1 ZINC000230351084 388824226 /nfs/dbraw/zinc/82/42/26/388824226.db2.gz GIPIKJJYKBTNFG-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1cc(C[N@@H+](CCO)Cc2ccccc2)nn1 ZINC000230351084 388824227 /nfs/dbraw/zinc/82/42/27/388824227.db2.gz GIPIKJJYKBTNFG-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000554610638 388826702 /nfs/dbraw/zinc/82/67/02/388826702.db2.gz IMBATCDRAPRURM-PEGIJTEDSA-N 1 2 219.288 0.877 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523440894 388838807 /nfs/dbraw/zinc/83/88/07/388838807.db2.gz AUPYDQBKBVRNBS-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523440894 388838812 /nfs/dbraw/zinc/83/88/12/388838812.db2.gz AUPYDQBKBVRNBS-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO COc1ccc[nH+]c1NCC[S@@](C)=O ZINC000229239369 388840623 /nfs/dbraw/zinc/84/06/23/388840623.db2.gz VMWCEEXPINFRPH-CQSZACIVSA-N 1 2 214.290 0.881 20 0 BCADLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cnn1C ZINC000523698414 388854754 /nfs/dbraw/zinc/85/47/54/388854754.db2.gz HYBOTVVPBSTSTB-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000555669764 388858394 /nfs/dbraw/zinc/85/83/94/388858394.db2.gz KURVXIVOBSDAKZ-UWVGGRQHSA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000555669764 388858396 /nfs/dbraw/zinc/85/83/96/388858396.db2.gz KURVXIVOBSDAKZ-UWVGGRQHSA-N 1 2 245.319 0.003 20 0 BCADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000555694805 388860201 /nfs/dbraw/zinc/86/02/01/388860201.db2.gz XJOQXMQBNXFDLY-SSDOTTSWSA-N 1 2 234.307 0.095 20 0 BCADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000555694805 388860203 /nfs/dbraw/zinc/86/02/03/388860203.db2.gz XJOQXMQBNXFDLY-SSDOTTSWSA-N 1 2 234.307 0.095 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541685656 388862742 /nfs/dbraw/zinc/86/27/42/388862742.db2.gz SKBWCQLYZCCZAU-SFYZADRCSA-N 1 2 240.307 0.943 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CO1 ZINC000649150739 388880697 /nfs/dbraw/zinc/88/06/97/388880697.db2.gz OXFNRKDIBLMPTN-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CO1 ZINC000649150741 388881109 /nfs/dbraw/zinc/88/11/09/388881109.db2.gz OXFNRKDIBLMPTN-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO CC(C)CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000564629217 388882406 /nfs/dbraw/zinc/88/24/06/388882406.db2.gz VVDNYBMZNSVYAI-UHFFFAOYSA-N 1 2 224.308 0.632 20 0 BCADLO CC(C)CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000564629217 388882410 /nfs/dbraw/zinc/88/24/10/388882410.db2.gz VVDNYBMZNSVYAI-UHFFFAOYSA-N 1 2 224.308 0.632 20 0 BCADLO C[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175156 388921261 /nfs/dbraw/zinc/92/12/61/388921261.db2.gz VAFOIHBKOJVIIG-VGMNWLOBSA-N 1 2 240.269 0.792 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175156 388921257 /nfs/dbraw/zinc/92/12/57/388921257.db2.gz VAFOIHBKOJVIIG-VGMNWLOBSA-N 1 2 240.269 0.792 20 0 BCADLO CC(C)OCC[N@@H+]1CCn2nncc2C1 ZINC000565172664 388921619 /nfs/dbraw/zinc/92/16/19/388921619.db2.gz OGKPGIGHINSAEW-UHFFFAOYSA-N 1 2 210.281 0.519 20 0 BCADLO CC(C)OCC[N@H+]1CCn2nncc2C1 ZINC000565172664 388921621 /nfs/dbraw/zinc/92/16/21/388921621.db2.gz OGKPGIGHINSAEW-UHFFFAOYSA-N 1 2 210.281 0.519 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565179522 388922789 /nfs/dbraw/zinc/92/27/89/388922789.db2.gz XDUPPDVSXAQSNH-VHSXEESVSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565179522 388922793 /nfs/dbraw/zinc/92/27/93/388922793.db2.gz XDUPPDVSXAQSNH-VHSXEESVSA-N 1 2 239.319 0.987 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CO)[C@H](O)C1 ZINC000565609702 388958268 /nfs/dbraw/zinc/95/82/68/388958268.db2.gz QUTXLMRZOWEXRV-WDEREUQCSA-N 1 2 237.303 0.273 20 0 BCADLO C[C@@H](NC(=O)c1cccn(C)c1=O)c1[nH]cc[nH+]1 ZINC000565674723 388961700 /nfs/dbraw/zinc/96/17/00/388961700.db2.gz LLAQEVUFMMTFNT-MRVPVSSYSA-N 1 2 246.270 0.599 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000565575505 388955335 /nfs/dbraw/zinc/95/53/35/388955335.db2.gz YTLSJTMPEKWQPZ-NXEZZACHSA-N 1 2 238.291 0.360 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccn1C ZINC000266990652 388998563 /nfs/dbraw/zinc/99/85/63/388998563.db2.gz UZAAVKDILRXVPN-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1ncc(C)o1 ZINC000267958096 389002215 /nfs/dbraw/zinc/00/22/15/389002215.db2.gz SDGNMKGIUOJORF-NSHDSACASA-N 1 2 228.292 0.860 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC1=CCCOC1 ZINC000271949041 389027777 /nfs/dbraw/zinc/02/77/77/389027777.db2.gz AQOGYEPIDMQDJR-UHFFFAOYSA-N 1 2 213.277 0.874 20 0 BCADLO Cc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000269468744 389009477 /nfs/dbraw/zinc/00/94/77/389009477.db2.gz ISHOPPJFVGNTDW-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BCADLO Cc1ccnc(NC[C@@H]2CN3CC[NH+]2CC3)n1 ZINC000269468744 389009479 /nfs/dbraw/zinc/00/94/79/389009479.db2.gz ISHOPPJFVGNTDW-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BCADLO O=C1CCN(C[NH2+]Cc2ccco2)CC1 ZINC000273135299 389037349 /nfs/dbraw/zinc/03/73/49/389037349.db2.gz VSTJMTZXHJTLEY-UHFFFAOYSA-N 1 2 208.261 0.992 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495725382 533395220 /nfs/dbraw/zinc/39/52/20/533395220.db2.gz FAIDJFPZFVWQIB-RKDXNWHRSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000495725382 533395222 /nfs/dbraw/zinc/39/52/22/533395222.db2.gz FAIDJFPZFVWQIB-RKDXNWHRSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152713 533404947 /nfs/dbraw/zinc/40/49/47/533404947.db2.gz NKLYXELQGYYAPI-HPOULIHZSA-N 1 2 249.270 0.444 20 0 BCADLO C[C@@H](O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493089008 533590714 /nfs/dbraw/zinc/59/07/14/533590714.db2.gz SHSYPBPPBGJOIQ-XNPJLODASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1nc(N2CCC[C@H](CNC(N)=O)C2)cc[nH+]1 ZINC000266376972 132185764 /nfs/dbraw/zinc/18/57/64/132185764.db2.gz MKYZMPKJMGWOTC-SNVBAGLBSA-N 1 2 249.318 0.670 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000267353235 132189343 /nfs/dbraw/zinc/18/93/43/132189343.db2.gz GSCJDPDWYAAXRX-SNVBAGLBSA-N 1 2 235.287 0.552 20 0 BCADLO Cc1nc(N2CCNC(=O)C2)c2c([nH+]1)CCCC2 ZINC000268026547 132191018 /nfs/dbraw/zinc/19/10/18/132191018.db2.gz XTJQLTNIPBVNHM-UHFFFAOYSA-N 1 2 246.314 0.600 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1c1[nH+]cnc2c1cnn2C ZINC000268801632 132192803 /nfs/dbraw/zinc/19/28/03/132192803.db2.gz JLXKBSDUPQOPBE-BDAKNGLRSA-N 1 2 247.302 0.977 20 0 BCADLO C[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277354115 132207356 /nfs/dbraw/zinc/20/73/56/132207356.db2.gz GNDNNVUIQDZTAF-SECBINFHSA-N 1 2 238.291 0.106 20 0 BCADLO C[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277354115 132207357 /nfs/dbraw/zinc/20/73/57/132207357.db2.gz GNDNNVUIQDZTAF-SECBINFHSA-N 1 2 238.291 0.106 20 0 BCADLO CCc1nc(N2CC(=O)N[C@H](C)C2)cc(C)[nH+]1 ZINC000295765434 132220841 /nfs/dbraw/zinc/22/08/41/132220841.db2.gz PGUXJWLGMRGUNX-SECBINFHSA-N 1 2 234.303 0.672 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)CC(=O)N1 ZINC000295882361 132221375 /nfs/dbraw/zinc/22/13/75/132221375.db2.gz ZZISYPSGRFCHNL-SECBINFHSA-N 1 2 242.282 0.955 20 0 BCADLO COC[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000301404067 132253710 /nfs/dbraw/zinc/25/37/10/132253710.db2.gz FJHQKHIYIDMFEH-JTQLQIEISA-N 1 2 223.276 0.637 20 0 BCADLO Cc1cc(N2CCO[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000302224480 132261805 /nfs/dbraw/zinc/26/18/05/132261805.db2.gz QIMBTROTRVQOIJ-LBPRGKRZSA-N 1 2 235.287 0.781 20 0 BCADLO CC(=O)N1CCN(c2cc(C)[nH+]cn2)[C@@H](C)C1 ZINC000357151547 132273025 /nfs/dbraw/zinc/27/30/25/132273025.db2.gz LCZABCQHJJLHGM-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO COC[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000361093866 132279843 /nfs/dbraw/zinc/27/98/43/132279843.db2.gz CYJWPKDYHGZIPT-JTQLQIEISA-N 1 2 223.276 0.637 20 0 BCADLO Cc1nc(N2CC[S@](=O)[C@H](C)C2)cc[nH+]1 ZINC000361057510 132279873 /nfs/dbraw/zinc/27/98/73/132279873.db2.gz AGCFEQUSPKWYIB-GLEZIHRCSA-N 1 2 225.317 0.742 20 0 BCADLO NC(=O)c1cc(N2CCn3c[nH+]cc3C2)ccn1 ZINC000368175369 132283172 /nfs/dbraw/zinc/28/31/72/132283172.db2.gz KHBZJMITSDPFHU-UHFFFAOYSA-N 1 2 243.270 0.397 20 0 BCADLO Cc1nc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc[nH+]1 ZINC000368629141 132283553 /nfs/dbraw/zinc/28/35/53/132283553.db2.gz XASMOZIKPKUIPR-ZJUUUORDSA-N 1 2 232.287 0.357 20 0 BCADLO CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345028 132284859 /nfs/dbraw/zinc/28/48/59/132284859.db2.gz QXWBOQPPSZSMGT-JTQLQIEISA-N 1 2 234.303 0.979 20 0 BCADLO O=C1OC[C@@H]2CN(c3cccc[nH+]3)CCN12 ZINC000370565153 132284897 /nfs/dbraw/zinc/28/48/97/132284897.db2.gz GXYSXFMYNRONJR-VIFPVBQESA-N 1 2 219.244 0.722 20 0 BCADLO O=C1OC[C@H]2CN(c3cccc[nH+]3)CCN12 ZINC000370565152 132285029 /nfs/dbraw/zinc/28/50/29/132285029.db2.gz GXYSXFMYNRONJR-SECBINFHSA-N 1 2 219.244 0.722 20 0 BCADLO Cc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000040727692 132348531 /nfs/dbraw/zinc/34/85/31/132348531.db2.gz AQVIUAOWYGLARC-JTQLQIEISA-N 1 2 207.277 0.994 20 0 BCADLO c1c[nH+]c(CN2CCN(c3cnccn3)CC2)[nH]1 ZINC000171916382 132445434 /nfs/dbraw/zinc/44/54/34/132445434.db2.gz UTPPXPHYUADILG-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493910 133865752 /nfs/dbraw/zinc/86/57/52/133865752.db2.gz ZUMNSFHQXFZKLO-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1nc(C)no1 ZINC000351583671 133974963 /nfs/dbraw/zinc/97/49/63/133974963.db2.gz VCOUWDFMAMXWFP-NXEZZACHSA-N 1 2 241.291 0.662 20 0 BCADLO CC(C)NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351924072 134006322 /nfs/dbraw/zinc/00/63/22/134006322.db2.gz CIHGRINEKBNANY-QFYYESIMSA-N 1 2 246.376 0.354 20 0 BCADLO CC(C)NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351924072 134006323 /nfs/dbraw/zinc/00/63/23/134006323.db2.gz CIHGRINEKBNANY-QFYYESIMSA-N 1 2 246.376 0.354 20 0 BCADLO CC(C)NC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351924073 134006770 /nfs/dbraw/zinc/00/67/70/134006770.db2.gz CIHGRINEKBNANY-QLJPJBMISA-N 1 2 246.376 0.354 20 0 BCADLO CC(C)NC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351924073 134006771 /nfs/dbraw/zinc/00/67/71/134006771.db2.gz CIHGRINEKBNANY-QLJPJBMISA-N 1 2 246.376 0.354 20 0 BCADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccncc1 ZINC000335936972 134012649 /nfs/dbraw/zinc/01/26/49/134012649.db2.gz JAAOXOWQPBHAAK-QWRGUYRKSA-N 1 2 210.252 0.986 20 0 BCADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccncc1 ZINC000335936972 134012650 /nfs/dbraw/zinc/01/26/50/134012650.db2.gz JAAOXOWQPBHAAK-QWRGUYRKSA-N 1 2 210.252 0.986 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000335939738 134013472 /nfs/dbraw/zinc/01/34/72/134013472.db2.gz PQHIZTRYBKLRIP-GFCCVEGCSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000335939738 134013473 /nfs/dbraw/zinc/01/34/73/134013473.db2.gz PQHIZTRYBKLRIP-GFCCVEGCSA-N 1 2 244.310 0.716 20 0 BCADLO CCc1nc(C(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000335938707 134013854 /nfs/dbraw/zinc/01/38/54/134013854.db2.gz NCDASCGYDPHSNF-UHFFFAOYSA-N 1 2 237.303 0.933 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C[C@H](C)O)s1 ZINC000351948229 134015984 /nfs/dbraw/zinc/01/59/84/134015984.db2.gz CCVKGDOXRUSAOQ-ZETCQYMHSA-N 1 2 231.321 0.022 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C[C@H](C)O)s1 ZINC000351948229 134015985 /nfs/dbraw/zinc/01/59/85/134015985.db2.gz CCVKGDOXRUSAOQ-ZETCQYMHSA-N 1 2 231.321 0.022 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335944761 134019428 /nfs/dbraw/zinc/01/94/28/134019428.db2.gz IAZNPWRHHKKSJP-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335944761 134019429 /nfs/dbraw/zinc/01/94/29/134019429.db2.gz IAZNPWRHHKKSJP-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335952485 134021989 /nfs/dbraw/zinc/02/19/89/134021989.db2.gz YYPAJQWFWGLFCT-GWCFXTLKSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335958979 134024019 /nfs/dbraw/zinc/02/40/19/134024019.db2.gz MCPJAELLKMULMF-VXNVDRBHSA-N 1 2 204.245 0.707 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC[C@](F)(CO)C1 ZINC000335958979 134024020 /nfs/dbraw/zinc/02/40/20/134024020.db2.gz MCPJAELLKMULMF-VXNVDRBHSA-N 1 2 204.245 0.707 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1coc(C(N)=O)c1 ZINC000336006395 134049401 /nfs/dbraw/zinc/04/94/01/134049401.db2.gz FLHMRYKRTIARNC-UHFFFAOYSA-N 1 2 245.238 0.756 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cccn2)CC[S@]1=O ZINC000336008871 134050480 /nfs/dbraw/zinc/05/04/80/134050480.db2.gz WMFCYGKSBGHLNV-MEBBXXQBSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cccn2)CC[S@]1=O ZINC000336008871 134050481 /nfs/dbraw/zinc/05/04/81/134050481.db2.gz WMFCYGKSBGHLNV-MEBBXXQBSA-N 1 2 227.333 0.336 20 0 BCADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000336010903 134051207 /nfs/dbraw/zinc/05/12/07/134051207.db2.gz MDIRWKFPIOMYIX-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022451 134056002 /nfs/dbraw/zinc/05/60/02/134056002.db2.gz VPTBUWSVXXAENV-SSDOTTSWSA-N 1 2 208.265 0.586 20 0 BCADLO CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022451 134056003 /nfs/dbraw/zinc/05/60/03/134056003.db2.gz VPTBUWSVXXAENV-SSDOTTSWSA-N 1 2 208.265 0.586 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)C2(CC2)C1 ZINC000336109958 134085771 /nfs/dbraw/zinc/08/57/71/134085771.db2.gz RPGQYVTVSAKMAT-SNVBAGLBSA-N 1 2 235.287 0.257 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCNC1=O ZINC000336119334 134089346 /nfs/dbraw/zinc/08/93/46/134089346.db2.gz GINJUFFPLODWQT-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO CCC1(O)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336143961 134101306 /nfs/dbraw/zinc/10/13/06/134101306.db2.gz DHRPBDQVNIKASB-UHFFFAOYSA-N 1 2 235.287 0.801 20 0 BCADLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)N1CCC1 ZINC000336147191 134102732 /nfs/dbraw/zinc/10/27/32/134102732.db2.gz WBFWTEWPAOMIAU-JTQLQIEISA-N 1 2 234.303 0.779 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C)C(C)(C)C1 ZINC000336167927 134113815 /nfs/dbraw/zinc/11/38/15/134113815.db2.gz ZJFQAVPXHNELGS-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C)C(C)(C)C1 ZINC000336167927 134113816 /nfs/dbraw/zinc/11/38/16/134113816.db2.gz ZJFQAVPXHNELGS-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000336175501 134116766 /nfs/dbraw/zinc/11/67/66/134116766.db2.gz SCCRHIFAUKDUSX-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1(O)CCCCC1 ZINC000336183983 134120463 /nfs/dbraw/zinc/12/04/63/134120463.db2.gz NSLBTWFDYMIUCE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1(O)CCCCC1 ZINC000336183983 134120464 /nfs/dbraw/zinc/12/04/64/134120464.db2.gz NSLBTWFDYMIUCE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[S@@]1=O ZINC000352294729 134139450 /nfs/dbraw/zinc/13/94/50/134139450.db2.gz RIHCPLRHUXAQQA-LSYCYVAJSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[S@@]1=O ZINC000352294729 134139451 /nfs/dbraw/zinc/13/94/51/134139451.db2.gz RIHCPLRHUXAQQA-LSYCYVAJSA-N 1 2 244.360 0.060 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnn(C)c1)CC2 ZINC000369917045 134223739 /nfs/dbraw/zinc/22/37/39/134223739.db2.gz AMWSMLZLJXTESK-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(O)c1 ZINC000168648691 134238217 /nfs/dbraw/zinc/23/82/17/134238217.db2.gz IJCNKCUHBXJOGP-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(O)c1 ZINC000168648691 134238218 /nfs/dbraw/zinc/23/82/18/134238218.db2.gz IJCNKCUHBXJOGP-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO COCc1cc(C[N@@H+]2CC[C@H](O)C2)no1 ZINC000085222926 134247101 /nfs/dbraw/zinc/24/71/01/134247101.db2.gz MERPDOCXTSGELR-VIFPVBQESA-N 1 2 212.249 0.388 20 0 BCADLO COCc1cc(C[N@H+]2CC[C@H](O)C2)no1 ZINC000085222926 134247102 /nfs/dbraw/zinc/24/71/02/134247102.db2.gz MERPDOCXTSGELR-VIFPVBQESA-N 1 2 212.249 0.388 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000218149010 134251348 /nfs/dbraw/zinc/25/13/48/134251348.db2.gz XIKRSFLGFSGIHS-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000218149010 134251349 /nfs/dbraw/zinc/25/13/49/134251349.db2.gz XIKRSFLGFSGIHS-SECBINFHSA-N 1 2 224.308 0.427 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249820 134252330 /nfs/dbraw/zinc/25/23/30/134252330.db2.gz XEHIWIKSWBELOO-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250529 134252343 /nfs/dbraw/zinc/25/23/43/134252343.db2.gz YLBAGANEBUPCCS-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250621 134252413 /nfs/dbraw/zinc/25/24/13/134252413.db2.gz NTLYADBKFSIIPZ-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO COCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249634 134252435 /nfs/dbraw/zinc/25/24/35/134252435.db2.gz UKZHTJRMEYQDEI-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171971471 134263639 /nfs/dbraw/zinc/26/36/39/134263639.db2.gz RAKNBLTYSPQKTD-GHMZBOCLSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171971471 134263640 /nfs/dbraw/zinc/26/36/40/134263640.db2.gz RAKNBLTYSPQKTD-GHMZBOCLSA-N 1 2 228.336 0.725 20 0 BCADLO CCN1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175060540 134284283 /nfs/dbraw/zinc/28/42/83/134284283.db2.gz VCMPSBZDFUEDFW-GFCCVEGCSA-N 1 2 241.379 0.879 20 0 BCADLO CCn1cc[nH+]c1CN1CCN2C(=O)NC[C@H]2C1 ZINC000175898005 134288528 /nfs/dbraw/zinc/28/85/28/134288528.db2.gz FKQXXZHJUSKDJP-JTQLQIEISA-N 1 2 249.318 0.112 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@@H](C)C1)CS(C)(=O)=O ZINC000176956826 134295501 /nfs/dbraw/zinc/29/55/01/134295501.db2.gz HNAQXXZICOVYJI-ZJUUUORDSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@@H](C)C1)CS(C)(=O)=O ZINC000176956826 134295502 /nfs/dbraw/zinc/29/55/02/134295502.db2.gz HNAQXXZICOVYJI-ZJUUUORDSA-N 1 2 235.349 0.388 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1cnccn1 ZINC000177254481 134296813 /nfs/dbraw/zinc/29/68/13/134296813.db2.gz LVHVJVUAIGMDKU-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO Cn1ncnc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000177684376 134301136 /nfs/dbraw/zinc/30/11/36/134301136.db2.gz RQRXCUDCPGRRKH-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO CCNC(=O)C1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000177834656 134303598 /nfs/dbraw/zinc/30/35/98/134303598.db2.gz QEUDKLSRHOVOPR-UHFFFAOYSA-N 1 2 248.330 0.974 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178723612 134310594 /nfs/dbraw/zinc/31/05/94/134310594.db2.gz NCWZTQNERPVKQP-ZYHUDNBSSA-N 1 2 237.347 0.149 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[C@H]1C1CC1 ZINC000178608497 134311994 /nfs/dbraw/zinc/31/19/94/134311994.db2.gz VVYNCQQAXPBHPX-AGIUHOORSA-N 1 2 249.358 0.149 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178635462 134312618 /nfs/dbraw/zinc/31/26/18/134312618.db2.gz DDTQVYPSGZEDQU-RYUDHWBXSA-N 1 2 239.363 0.539 20 0 BCADLO CCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178652209 134312666 /nfs/dbraw/zinc/31/26/66/134312666.db2.gz CPAMMSPIYFEKJX-GFCCVEGCSA-N 1 2 239.363 0.683 20 0 BCADLO CC(C)(C)OC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179059373 134314590 /nfs/dbraw/zinc/31/45/90/134314590.db2.gz YFVZVPAUOQRJNM-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCOC2(CCC2)C1 ZINC000179579560 134321994 /nfs/dbraw/zinc/32/19/94/134321994.db2.gz LMDQMGBSCNOCOM-SECBINFHSA-N 1 2 210.277 0.130 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCOC2(CCC2)C1 ZINC000179579560 134321995 /nfs/dbraw/zinc/32/19/95/134321995.db2.gz LMDQMGBSCNOCOM-SECBINFHSA-N 1 2 210.277 0.130 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCOC2(CCC2)C1 ZINC000179579576 134322258 /nfs/dbraw/zinc/32/22/58/134322258.db2.gz LMDQMGBSCNOCOM-VIFPVBQESA-N 1 2 210.277 0.130 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCOC2(CCC2)C1 ZINC000179579576 134322259 /nfs/dbraw/zinc/32/22/59/134322259.db2.gz LMDQMGBSCNOCOM-VIFPVBQESA-N 1 2 210.277 0.130 20 0 BCADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000221801523 134328159 /nfs/dbraw/zinc/32/81/59/134328159.db2.gz HYTUFLHNJRLODB-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000181063440 134333292 /nfs/dbraw/zinc/33/32/92/134333292.db2.gz AOBKHAUEDSISBX-UHFFFAOYSA-N 1 2 246.270 0.791 20 0 BCADLO COc1c(C)c[nH+]c(CNC2(C(N)=O)CC2)c1C ZINC000181729388 134338687 /nfs/dbraw/zinc/33/86/87/134338687.db2.gz SLYPYWYXKISCBR-UHFFFAOYSA-N 1 2 249.314 0.815 20 0 BCADLO COc1ncnc2c1C[N@H+](C[C@@H](C)OC)CC2 ZINC000182107620 134342050 /nfs/dbraw/zinc/34/20/50/134342050.db2.gz MRVFXNGQERZORZ-SECBINFHSA-N 1 2 237.303 0.878 20 0 BCADLO COc1ncnc2c1C[N@@H+](C[C@@H](C)OC)CC2 ZINC000182107620 134342051 /nfs/dbraw/zinc/34/20/51/134342051.db2.gz MRVFXNGQERZORZ-SECBINFHSA-N 1 2 237.303 0.878 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000225830187 134355588 /nfs/dbraw/zinc/35/55/88/134355588.db2.gz GUBPHUYBSPJZJB-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000225830187 134355589 /nfs/dbraw/zinc/35/55/89/134355589.db2.gz GUBPHUYBSPJZJB-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO COC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000225913183 134360059 /nfs/dbraw/zinc/36/00/59/134360059.db2.gz VHXJEDCJFBVNHI-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO OCC[N@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000226319993 134360200 /nfs/dbraw/zinc/36/02/00/134360200.db2.gz OAWKGXFAMIVNJV-UHFFFAOYSA-N 1 2 236.319 0.571 20 0 BCADLO OCC[N@@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000226319993 134360201 /nfs/dbraw/zinc/36/02/01/134360201.db2.gz OAWKGXFAMIVNJV-UHFFFAOYSA-N 1 2 236.319 0.571 20 0 BCADLO C[C@H](O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184232797 134361213 /nfs/dbraw/zinc/36/12/13/134361213.db2.gz KUQITEHHCNUBPK-NSHDSACASA-N 1 2 249.314 0.501 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](C)OC)C1CC1 ZINC000227307986 134377560 /nfs/dbraw/zinc/37/75/60/134377560.db2.gz APCOJDLKXOUKRZ-IONNQARKSA-N 1 2 201.266 0.563 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000227302139 134377778 /nfs/dbraw/zinc/37/77/78/134377778.db2.gz RYYAGSSQJPLFPC-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000227302139 134377779 /nfs/dbraw/zinc/37/77/79/134377779.db2.gz RYYAGSSQJPLFPC-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000408085849 134389695 /nfs/dbraw/zinc/38/96/95/134389695.db2.gz DGDNUHATYITPPT-DTWKUNHWSA-N 1 2 238.291 0.787 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)o1 ZINC000408085849 134389697 /nfs/dbraw/zinc/38/96/97/134389697.db2.gz DGDNUHATYITPPT-DTWKUNHWSA-N 1 2 238.291 0.787 20 0 BCADLO CCNC(=O)C[NH2+]Cc1csc(CC)n1 ZINC000049591177 134634628 /nfs/dbraw/zinc/63/46/28/134634628.db2.gz KCKMIHRSNLVMSO-UHFFFAOYSA-N 1 2 227.333 0.931 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cscn1 ZINC000062663275 134809853 /nfs/dbraw/zinc/80/98/53/134809853.db2.gz KYMIVRQSXREQAZ-UHFFFAOYSA-N 1 2 222.273 0.770 20 0 BCADLO CC[C@@H]([NH2+]CC(=O)NC(N)=O)c1nccs1 ZINC000070732945 135010903 /nfs/dbraw/zinc/01/09/03/135010903.db2.gz WPEXADHTPUFONP-ZCFIWIBFSA-N 1 2 242.304 0.379 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000070819703 135012644 /nfs/dbraw/zinc/01/26/44/135012644.db2.gz AFYXTZWIDZFWDE-ZETCQYMHSA-N 1 2 211.290 0.779 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1C ZINC000248848355 135023641 /nfs/dbraw/zinc/02/36/41/135023641.db2.gz VJBLLGPCHLBMMG-IUCAKERBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1C ZINC000248848355 135023642 /nfs/dbraw/zinc/02/36/42/135023642.db2.gz VJBLLGPCHLBMMG-IUCAKERBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000248912550 135026167 /nfs/dbraw/zinc/02/61/67/135026167.db2.gz NMIMCNZVOKFUJR-OUAUKWLOSA-N 1 2 247.360 0.673 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000248912550 135026170 /nfs/dbraw/zinc/02/61/70/135026170.db2.gz NMIMCNZVOKFUJR-OUAUKWLOSA-N 1 2 247.360 0.673 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC=CO1 ZINC000248993787 135029312 /nfs/dbraw/zinc/02/93/12/135029312.db2.gz OGVWPUGGERIHLL-AXFHLTTASA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCC=CO1 ZINC000248993787 135029313 /nfs/dbraw/zinc/02/93/13/135029313.db2.gz OGVWPUGGERIHLL-AXFHLTTASA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000251140360 135065226 /nfs/dbraw/zinc/06/52/26/135065226.db2.gz IYNHIQBWJGNQDC-JMJZKYOTSA-N 1 2 227.304 0.953 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350320 135067618 /nfs/dbraw/zinc/06/76/18/135067618.db2.gz QTSSEMKQHLHQNZ-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350320 135067620 /nfs/dbraw/zinc/06/76/20/135067620.db2.gz QTSSEMKQHLHQNZ-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@H](CO)C1 ZINC000086831658 135097133 /nfs/dbraw/zinc/09/71/33/135097133.db2.gz AYLLWAKESPCVTC-JTQLQIEISA-N 1 2 225.292 0.096 20 0 BCADLO Cc1cc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)on1 ZINC000262898761 135123298 /nfs/dbraw/zinc/12/32/98/135123298.db2.gz DJAMULGVKQXZQU-MRVPVSSYSA-N 1 2 245.229 0.596 20 0 BCADLO CCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261527888 135153027 /nfs/dbraw/zinc/15/30/27/135153027.db2.gz CAFVCKYNHNWAPP-SSDOTTSWSA-N 1 2 206.236 0.852 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc(N)s2)C[C@H](CO)O1 ZINC000261534476 135166791 /nfs/dbraw/zinc/16/67/91/135166791.db2.gz QZFUILUFCFPBFR-JGVFFNPUSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H](CO)O1 ZINC000261534476 135166792 /nfs/dbraw/zinc/16/67/92/135166792.db2.gz QZFUILUFCFPBFR-JGVFFNPUSA-N 1 2 243.332 0.307 20 0 BCADLO CNC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353168921 135167123 /nfs/dbraw/zinc/16/71/23/135167123.db2.gz IKMFHPCUOBERJL-ZETCQYMHSA-N 1 2 206.236 0.852 20 0 BCADLO CNC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353168921 135167125 /nfs/dbraw/zinc/16/71/25/135167125.db2.gz IKMFHPCUOBERJL-ZETCQYMHSA-N 1 2 206.236 0.852 20 0 BCADLO CS[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539490 135177940 /nfs/dbraw/zinc/17/79/40/135177940.db2.gz COMHHWOQJVWEQB-NKWVEPMBSA-N 1 2 238.303 0.851 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261545251 135186851 /nfs/dbraw/zinc/18/68/51/135186851.db2.gz JSMSQWDAJRIJGH-XPUUQOCRSA-N 1 2 218.247 0.898 20 0 BCADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261545249 135186923 /nfs/dbraw/zinc/18/69/23/135186923.db2.gz JSMSQWDAJRIJGH-POYBYMJQSA-N 1 2 218.247 0.898 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261548656 135187814 /nfs/dbraw/zinc/18/78/14/135187814.db2.gz NTOFTSIPJYARIV-YUMQZZPRSA-N 1 2 218.247 0.995 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCOC1 ZINC000164102868 135214452 /nfs/dbraw/zinc/21/44/52/135214452.db2.gz CBCKTQUVLOHGPQ-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000084377037 135215004 /nfs/dbraw/zinc/21/50/04/135215004.db2.gz BANLDKAOSUDPDW-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO Cc1cc(N[C@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164212090 135216250 /nfs/dbraw/zinc/21/62/50/135216250.db2.gz CTQPFWOJDWGABF-CLAHSXSESA-N 1 2 213.306 0.964 20 0 BCADLO Cc1c(NC(=O)[C@@H]2CSC[NH2+]2)cnn1C ZINC000261547181 135240280 /nfs/dbraw/zinc/24/02/80/135240280.db2.gz LZJJVYYDYOQKLW-QMMMGPOBSA-N 1 2 226.305 0.330 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)O1 ZINC000261856699 135257690 /nfs/dbraw/zinc/25/76/90/135257690.db2.gz ACGITWPFFYKMPW-HLTSFMKQSA-N 1 2 248.273 0.619 20 0 BCADLO CCN(CCOC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000342422709 135267315 /nfs/dbraw/zinc/26/73/15/135267315.db2.gz HNDOPOATMTXSOD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CCOC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000342422709 135267317 /nfs/dbraw/zinc/26/73/17/135267317.db2.gz HNDOPOATMTXSOD-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CCOC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000342422710 135267379 /nfs/dbraw/zinc/26/73/79/135267379.db2.gz HNDOPOATMTXSOD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CCOC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000342422710 135267381 /nfs/dbraw/zinc/26/73/81/135267381.db2.gz HNDOPOATMTXSOD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000342631930 135298240 /nfs/dbraw/zinc/29/82/40/135298240.db2.gz LCHXLNZXAMEYAL-VXGBXAGGSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000342631930 135298241 /nfs/dbraw/zinc/29/82/41/135298241.db2.gz LCHXLNZXAMEYAL-VXGBXAGGSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@@H](CNC(=O)c1cnnn1C)Cn1cc[nH+]c1 ZINC000342746966 135310938 /nfs/dbraw/zinc/31/09/38/135310938.db2.gz HHAAZZFORWTWDY-VIFPVBQESA-N 1 2 248.290 0.078 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CC(=O)N(C)C ZINC000342730239 135315695 /nfs/dbraw/zinc/31/56/95/135315695.db2.gz IWUASCXMSKSFMJ-UHFFFAOYSA-N 1 2 237.259 0.507 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@@H](O)[C@H](C)C2)n1C ZINC000342784618 135317281 /nfs/dbraw/zinc/31/72/81/135317281.db2.gz URUJRTVOAMRWNJ-MWLCHTKSSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1c[nH+]c(CN2CCN3C(=O)CC[C@H]3C2)n1C ZINC000342781076 135317644 /nfs/dbraw/zinc/31/76/44/135317644.db2.gz MWSOKWZKUHREPR-NSHDSACASA-N 1 2 248.330 0.535 20 0 BCADLO Cc1nc(N2CC(CCO)C2)nc(N(C)C)[nH+]1 ZINC000342786087 135318280 /nfs/dbraw/zinc/31/82/80/135318280.db2.gz MJUGPLKJBCOABD-UHFFFAOYSA-N 1 2 237.307 0.065 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(CCO)C2)[nH+]1 ZINC000342786087 135318282 /nfs/dbraw/zinc/31/82/82/135318282.db2.gz MJUGPLKJBCOABD-UHFFFAOYSA-N 1 2 237.307 0.065 20 0 BCADLO Cc1c[nH+]c(CN2CCCC[C@H]2C(N)=O)n1C ZINC000342789100 135318318 /nfs/dbraw/zinc/31/83/18/135318318.db2.gz XJLBHRWTJJOJAM-JTQLQIEISA-N 1 2 236.319 0.568 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1[nH+]cc(C)n1C ZINC000342796336 135319888 /nfs/dbraw/zinc/31/98/88/135319888.db2.gz YBLRQKACZOUOQU-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c[nH+]c(CN2CCN(C3CC3)C(=O)C2)n1C ZINC000342797200 135320811 /nfs/dbraw/zinc/32/08/11/135320811.db2.gz NHHRHYKGYGIFOF-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO CCCCN(CC(N)=O)Cc1[nH+]cc(C)n1C ZINC000342801839 135322150 /nfs/dbraw/zinc/32/21/50/135322150.db2.gz ZJYZITWPCVKVHB-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262894913 135323482 /nfs/dbraw/zinc/32/34/82/135323482.db2.gz CXWWFCUZFPAPAZ-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n(C)n1 ZINC000262919768 135324094 /nfs/dbraw/zinc/32/40/94/135324094.db2.gz GRYDXEBHGYGDQS-SSDOTTSWSA-N 1 2 244.245 0.664 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000334168131 135324478 /nfs/dbraw/zinc/32/44/78/135324478.db2.gz AQYFPCMKWIGSQH-ZCFIWIBFSA-N 1 2 230.218 0.654 20 0 BCADLO O=C(NCc1ccccn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262950719 135325070 /nfs/dbraw/zinc/32/50/70/135325070.db2.gz JOCZCWSYPYODLS-VIFPVBQESA-N 1 2 241.241 0.695 20 0 BCADLO O=C(NCc1cccnc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262966562 135326022 /nfs/dbraw/zinc/32/60/22/135326022.db2.gz LJDCSCXNSXAUSI-SECBINFHSA-N 1 2 241.241 0.695 20 0 BCADLO Cc1nc(N2CC[C@@H](NC(N)=O)C2)c(C)c(C)[nH+]1 ZINC000342768162 135326065 /nfs/dbraw/zinc/32/60/65/135326065.db2.gz IUFMSCOHHFDCIY-SNVBAGLBSA-N 1 2 249.318 0.649 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](CO)OC[C@H]2C)n1C ZINC000342775640 135327122 /nfs/dbraw/zinc/32/71/22/135327122.db2.gz HPUJENUKTRKJRE-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](CO)OC[C@@H]2C)n1C ZINC000342775642 135327361 /nfs/dbraw/zinc/32/73/61/135327361.db2.gz HPUJENUKTRKJRE-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO COC(=O)[C@@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000342776173 135327552 /nfs/dbraw/zinc/32/75/52/135327552.db2.gz GHPMKTXAGDIEFG-VIFPVBQESA-N 1 2 239.319 0.969 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CCC1=O ZINC000334222881 135328215 /nfs/dbraw/zinc/32/82/15/135328215.db2.gz ZBVBTRUTROHEEI-JTQLQIEISA-N 1 2 224.304 0.520 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CCC1=O ZINC000334222881 135328217 /nfs/dbraw/zinc/32/82/17/135328217.db2.gz ZBVBTRUTROHEEI-JTQLQIEISA-N 1 2 224.304 0.520 20 0 BCADLO Cn1nccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263041372 135329129 /nfs/dbraw/zinc/32/91/29/135329129.db2.gz SWESTNOMTFTKEF-QMMMGPOBSA-N 1 2 244.245 0.034 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](C)C1 ZINC000334224887 135329666 /nfs/dbraw/zinc/32/96/66/135329666.db2.gz YCBZEAFEKLPYCT-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](C)C1 ZINC000334224887 135329668 /nfs/dbraw/zinc/32/96/68/135329668.db2.gz YCBZEAFEKLPYCT-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000334171517 135330212 /nfs/dbraw/zinc/33/02/12/135330212.db2.gz AASULEARBATCQV-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000334171494 135330362 /nfs/dbraw/zinc/33/03/62/135330362.db2.gz AASULEARBATCQV-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO CC(C)CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334310428 135350881 /nfs/dbraw/zinc/35/08/81/135350881.db2.gz KSEOCNWUTPOCBJ-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334310428 135350882 /nfs/dbraw/zinc/35/08/82/135350882.db2.gz KSEOCNWUTPOCBJ-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccn[nH]1 ZINC000334337725 135357112 /nfs/dbraw/zinc/35/71/12/135357112.db2.gz WKVGHVFIYWLVOR-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CC[C@H](C)N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000079809861 135362431 /nfs/dbraw/zinc/36/24/31/135362431.db2.gz SPZLXQRZMWEFQO-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CSCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334346309 135363112 /nfs/dbraw/zinc/36/31/12/135363112.db2.gz VWBSSIQDGXUQQY-NXEZZACHSA-N 1 2 244.360 0.281 20 0 BCADLO CSCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334346309 135363113 /nfs/dbraw/zinc/36/31/13/135363113.db2.gz VWBSSIQDGXUQQY-NXEZZACHSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC1 ZINC000334345416 135366008 /nfs/dbraw/zinc/36/60/08/135366008.db2.gz OUNAJLDLCRWAOB-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC1 ZINC000334345416 135366010 /nfs/dbraw/zinc/36/60/10/135366010.db2.gz OUNAJLDLCRWAOB-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2cn3ccccc3n2)C1 ZINC000334357745 135370497 /nfs/dbraw/zinc/37/04/97/135370497.db2.gz QSQWIZUCVNYJJK-UHFFFAOYSA-N 1 2 244.298 0.720 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2ccno2)C1 ZINC000334359183 135371334 /nfs/dbraw/zinc/37/13/34/135371334.db2.gz VMKIAAANUZURIO-VIFPVBQESA-N 1 2 200.213 0.581 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2ccno2)C1 ZINC000334359183 135371336 /nfs/dbraw/zinc/37/13/36/135371336.db2.gz VMKIAAANUZURIO-VIFPVBQESA-N 1 2 200.213 0.581 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC(=O)NCC1(C)C ZINC000334373303 135376062 /nfs/dbraw/zinc/37/60/62/135376062.db2.gz SVXHHXLGZDTSRU-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC(=O)NCC1(C)C ZINC000334373303 135376064 /nfs/dbraw/zinc/37/60/64/135376064.db2.gz SVXHHXLGZDTSRU-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000334377509 135377878 /nfs/dbraw/zinc/37/78/78/135377878.db2.gz FXIXBXQQFBRZQO-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000334377509 135377880 /nfs/dbraw/zinc/37/78/80/135377880.db2.gz FXIXBXQQFBRZQO-LBPRGKRZSA-N 1 2 231.299 0.888 20 0 BCADLO Cc1[nH]c(C(=O)NC2(CO)CCCC2)c[nH+]1 ZINC000334376750 135377943 /nfs/dbraw/zinc/37/79/43/135377943.db2.gz VYVPNQUUBUEVRU-UHFFFAOYSA-N 1 2 223.276 0.753 20 0 BCADLO CN(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000334380719 135380459 /nfs/dbraw/zinc/38/04/59/135380459.db2.gz ISYLEZOUCIIGQF-SNVBAGLBSA-N 1 2 227.308 0.075 20 0 BCADLO Cc1cc(N2CC[C@@H](C)[C@H]2CO)nc[nH+]1 ZINC000299906307 135381842 /nfs/dbraw/zinc/38/18/42/135381842.db2.gz FGYAKNRPKFGGDA-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO O=C(C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081561629 135387193 /nfs/dbraw/zinc/38/71/93/135387193.db2.gz WHNKXGWFDUERBL-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO Cc1cc(NC(=O)NCc2[nH+]ccn2C)n(C)n1 ZINC000334398032 135389462 /nfs/dbraw/zinc/38/94/62/135389462.db2.gz DBZKRVFGTQNOBU-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC1(O)CCC1 ZINC000334404904 135393474 /nfs/dbraw/zinc/39/34/74/135393474.db2.gz FUJGOWDVCYLITI-UHFFFAOYSA-N 1 2 235.287 0.848 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334411910 135395371 /nfs/dbraw/zinc/39/53/71/135395371.db2.gz UTRDHHVECSKKLZ-MRVPVSSYSA-N 1 2 205.261 0.724 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@H](CO)C1 ZINC000191785973 135543665 /nfs/dbraw/zinc/54/36/65/135543665.db2.gz KHCRSNMSBMZUNQ-MNOVXSKESA-N 1 2 239.319 0.485 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]1C(F)F ZINC000345826408 135896738 /nfs/dbraw/zinc/89/67/38/135896738.db2.gz SUNUGLYOUHFVNR-RQJHMYQMSA-N 1 2 215.203 0.653 20 0 BCADLO CSCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000346409622 135924056 /nfs/dbraw/zinc/92/40/56/135924056.db2.gz YTEXMJPXOPMDMN-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[NH+](C)CC1 ZINC000335184170 135965865 /nfs/dbraw/zinc/96/58/65/135965865.db2.gz XKYZXHFWHLMHNW-VIFPVBQESA-N 1 2 216.350 0.902 20 0 BCADLO COC[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000347643379 135999689 /nfs/dbraw/zinc/99/96/89/135999689.db2.gz ABJXRDAJWMRWOL-BDAKNGLRSA-N 1 2 248.273 0.525 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000347649391 136000609 /nfs/dbraw/zinc/00/06/09/136000609.db2.gz ISUKSPYKIJEXKQ-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)n1cc(C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000347649391 136000610 /nfs/dbraw/zinc/00/06/10/136000610.db2.gz ISUKSPYKIJEXKQ-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ncon1 ZINC000347697636 136006832 /nfs/dbraw/zinc/00/68/32/136006832.db2.gz VXNHZLJNWIVDDJ-WDSKDSINSA-N 1 2 246.217 0.244 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000347775319 136008782 /nfs/dbraw/zinc/00/87/82/136008782.db2.gz FZHFYCMXPHZYHK-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000347775319 136008783 /nfs/dbraw/zinc/00/87/83/136008783.db2.gz FZHFYCMXPHZYHK-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCC(=O)NC)[C@H](C)CC ZINC000347803742 136013197 /nfs/dbraw/zinc/01/31/97/136013197.db2.gz YRCPVJDOURNPLO-MWLCHTKSSA-N 1 2 244.335 0.690 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC000348001141 136020329 /nfs/dbraw/zinc/02/03/29/136020329.db2.gz WSEVMHRRMANAQT-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C ZINC000348001141 136020330 /nfs/dbraw/zinc/02/03/30/136020330.db2.gz WSEVMHRRMANAQT-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCOC1 ZINC000348005649 136020730 /nfs/dbraw/zinc/02/07/30/136020730.db2.gz HJWCZEOJVOZDOH-JQWIXIFHSA-N 1 2 237.303 0.814 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000347994126 136023576 /nfs/dbraw/zinc/02/35/76/136023576.db2.gz DOBWIDUPAJTBGD-KOLCDFICSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C1(C(=O)N(C)C)CC1 ZINC000335313646 136031501 /nfs/dbraw/zinc/03/15/01/136031501.db2.gz NZPSEVZPWBBYLK-UHFFFAOYSA-N 1 2 247.298 0.619 20 0 BCADLO COC(=O)[C@]1([NH2+]CC2CCOCC2)CCOC1 ZINC000348071307 136033539 /nfs/dbraw/zinc/03/35/39/136033539.db2.gz JZRIAWBNCOZDGT-LBPRGKRZSA-N 1 2 243.303 0.335 20 0 BCADLO CCCCNC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348096009 136035495 /nfs/dbraw/zinc/03/54/95/136035495.db2.gz NYMHHLUMRJRIMM-MRVPVSSYSA-N 1 2 240.307 0.945 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)n1 ZINC000348091912 136035566 /nfs/dbraw/zinc/03/55/66/136035566.db2.gz NATAFYFQJUOQCG-SSDOTTSWSA-N 1 2 238.291 0.649 20 0 BCADLO COC(=O)C[N@H+](CCCNC(C)=O)C1CC1 ZINC000348153558 136040448 /nfs/dbraw/zinc/04/04/48/136040448.db2.gz IMVUDDHZYXBOPK-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)C[N@@H+](CCCNC(C)=O)C1CC1 ZINC000348153558 136040449 /nfs/dbraw/zinc/04/04/49/136040449.db2.gz IMVUDDHZYXBOPK-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335324946 136051441 /nfs/dbraw/zinc/05/14/41/136051441.db2.gz NKLMGWHCKOCYDC-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335324946 136051442 /nfs/dbraw/zinc/05/14/42/136051442.db2.gz NKLMGWHCKOCYDC-QMMMGPOBSA-N 1 2 245.286 0.431 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000348292266 136062439 /nfs/dbraw/zinc/06/24/39/136062439.db2.gz ILNPQYFDWLADOF-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000348292266 136062440 /nfs/dbraw/zinc/06/24/40/136062440.db2.gz ILNPQYFDWLADOF-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)[nH]1 ZINC000335341301 136064234 /nfs/dbraw/zinc/06/42/34/136064234.db2.gz GSYPJZBVWBJUQK-NSHDSACASA-N 1 2 240.282 0.492 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@@H](C)O1 ZINC000348348515 136071668 /nfs/dbraw/zinc/07/16/68/136071668.db2.gz LWUCVKJQBYVMGM-UTLUCORTSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC2)C[C@@H](C)O1 ZINC000348348515 136071669 /nfs/dbraw/zinc/07/16/69/136071669.db2.gz LWUCVKJQBYVMGM-UTLUCORTSA-N 1 2 229.276 0.038 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000348438492 136078717 /nfs/dbraw/zinc/07/87/17/136078717.db2.gz OPQFSFDXUFOXMF-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000348438492 136078718 /nfs/dbraw/zinc/07/87/18/136078718.db2.gz OPQFSFDXUFOXMF-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000348438490 136078831 /nfs/dbraw/zinc/07/88/31/136078831.db2.gz OPQFSFDXUFOXMF-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000348438490 136078832 /nfs/dbraw/zinc/07/88/32/136078832.db2.gz OPQFSFDXUFOXMF-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCSC1 ZINC000335369969 136082990 /nfs/dbraw/zinc/08/29/90/136082990.db2.gz QXDQPSSPMOWUDG-QMMMGPOBSA-N 1 2 225.317 0.789 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CCOC2)c[nH+]1 ZINC000335389258 136090034 /nfs/dbraw/zinc/09/00/34/136090034.db2.gz CRMUMQZECLOSKG-LLVKDONJSA-N 1 2 223.276 0.875 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c[nH+]1 ZINC000335400484 136094350 /nfs/dbraw/zinc/09/43/50/136094350.db2.gz JYGVVENGQUUTKN-NXEZZACHSA-N 1 2 237.303 0.999 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335550318 136097580 /nfs/dbraw/zinc/09/75/80/136097580.db2.gz XHVORIDLNIHNEH-SSDOTTSWSA-N 1 2 229.230 0.827 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335557061 136100167 /nfs/dbraw/zinc/10/01/67/136100167.db2.gz DKMYXVJNYKZBFO-SNVBAGLBSA-N 1 2 219.288 0.924 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335565052 136107487 /nfs/dbraw/zinc/10/74/87/136107487.db2.gz OIHPKFCJDJCDAC-ZJUUUORDSA-N 1 2 237.303 0.285 20 0 BCADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@@H]1COC[C@@H]1O ZINC000348646813 136115383 /nfs/dbraw/zinc/11/53/83/136115383.db2.gz QAHVHNJSAVEPFW-BDAKNGLRSA-N 1 2 247.245 0.470 20 0 BCADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@@H]1COC[C@@H]1O ZINC000348646813 136115384 /nfs/dbraw/zinc/11/53/84/136115384.db2.gz QAHVHNJSAVEPFW-BDAKNGLRSA-N 1 2 247.245 0.470 20 0 BCADLO CCn1cc[nH+]c1CN[C@@H](C)C(=O)OC ZINC000051922616 397734926 /nfs/dbraw/zinc/73/49/26/397734926.db2.gz PEULZWXQABNVNN-QMMMGPOBSA-N 1 2 211.265 0.554 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCCOC1 ZINC000407947827 397796002 /nfs/dbraw/zinc/79/60/02/397796002.db2.gz FZGMVUUHBLXZQT-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCCOC1 ZINC000407947827 397796005 /nfs/dbraw/zinc/79/60/05/397796005.db2.gz FZGMVUUHBLXZQT-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000636067320 397742671 /nfs/dbraw/zinc/74/26/71/397742671.db2.gz QNNUDSYFMUOUHW-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000636067320 397742674 /nfs/dbraw/zinc/74/26/74/397742674.db2.gz QNNUDSYFMUOUHW-NSHDSACASA-N 1 2 236.319 0.771 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000335815268 397888579 /nfs/dbraw/zinc/88/85/79/397888579.db2.gz XPLCAPMIGDVMIH-SNVBAGLBSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000335815268 397888581 /nfs/dbraw/zinc/88/85/81/397888581.db2.gz XPLCAPMIGDVMIH-SNVBAGLBSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000650107008 397927018 /nfs/dbraw/zinc/92/70/18/397927018.db2.gz IHLLRQLZWFDVRJ-DTORHVGOSA-N 1 2 248.286 0.197 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](CO)CCF ZINC000650107400 397927172 /nfs/dbraw/zinc/92/71/72/397927172.db2.gz OEINPEZBWBNVQD-SECBINFHSA-N 1 2 241.266 0.654 20 0 BCADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ncnn1CCF ZINC000440529119 397931159 /nfs/dbraw/zinc/93/11/59/397931159.db2.gz XILGJOUCRAITPS-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ncnn1CCF ZINC000440529119 397931164 /nfs/dbraw/zinc/93/11/64/397931164.db2.gz XILGJOUCRAITPS-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[N@@H+](Cc1nccs1)C[C@@H]1CCC(=O)N1 ZINC000649546274 397937356 /nfs/dbraw/zinc/93/73/56/397937356.db2.gz LACVQGBZZALMTB-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[N@H+](Cc1nccs1)C[C@@H]1CCC(=O)N1 ZINC000649546274 397937357 /nfs/dbraw/zinc/93/73/57/397937357.db2.gz LACVQGBZZALMTB-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO Cc1c[nH]cc(C(=O)NCc2[nH+]ccn2C)c1=O ZINC000358456379 397942494 /nfs/dbraw/zinc/94/24/94/397942494.db2.gz YGDDMCQZOFESFK-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000628300175 397958542 /nfs/dbraw/zinc/95/85/42/397958542.db2.gz SVOYOGORWKEMHG-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000628300175 397958545 /nfs/dbraw/zinc/95/85/45/397958545.db2.gz SVOYOGORWKEMHG-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1nnsc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000649570826 397960933 /nfs/dbraw/zinc/96/09/33/397960933.db2.gz PTFNTYRBDJZHRN-SSDOTTSWSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000649570826 397960934 /nfs/dbraw/zinc/96/09/34/397960934.db2.gz PTFNTYRBDJZHRN-SSDOTTSWSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1cn(C)nc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373667 397903644 /nfs/dbraw/zinc/90/36/44/397903644.db2.gz XTAFHJGLLRPJEA-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cn(C)nc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373667 397903649 /nfs/dbraw/zinc/90/36/49/397903649.db2.gz XTAFHJGLLRPJEA-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCN1C ZINC000649529316 397922255 /nfs/dbraw/zinc/92/22/55/397922255.db2.gz MEAXGIIOSWSKKC-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCN1C ZINC000649529316 397922258 /nfs/dbraw/zinc/92/22/58/397922258.db2.gz MEAXGIIOSWSKKC-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccco3)C2)nn1 ZINC000371567002 397995208 /nfs/dbraw/zinc/99/52/08/397995208.db2.gz YIGIPRGCMIETTB-SECBINFHSA-N 1 2 248.286 0.981 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@H]1C=CCCC1)CC2 ZINC000649615278 397998254 /nfs/dbraw/zinc/99/82/54/397998254.db2.gz JEWKELWFVGHNHD-JTQLQIEISA-N 1 2 234.303 0.695 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@H]1C=CCCC1)CC2 ZINC000649615278 397998257 /nfs/dbraw/zinc/99/82/57/397998257.db2.gz JEWKELWFVGHNHD-JTQLQIEISA-N 1 2 234.303 0.695 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@@H]1C=CCCC1)CC2 ZINC000649615279 397998373 /nfs/dbraw/zinc/99/83/73/397998373.db2.gz JEWKELWFVGHNHD-SNVBAGLBSA-N 1 2 234.303 0.695 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000649615279 397998374 /nfs/dbraw/zinc/99/83/74/397998374.db2.gz JEWKELWFVGHNHD-SNVBAGLBSA-N 1 2 234.303 0.695 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372322116 398001794 /nfs/dbraw/zinc/00/17/94/398001794.db2.gz VUNMEQLSAUMUQY-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000372505845 398004659 /nfs/dbraw/zinc/00/46/59/398004659.db2.gz NXGXEQNJNIACIK-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000372505845 398004660 /nfs/dbraw/zinc/00/46/60/398004660.db2.gz NXGXEQNJNIACIK-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@](C)([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000336729990 398016065 /nfs/dbraw/zinc/01/60/65/398016065.db2.gz HYZNHJFPXGBSGU-NSHDSACASA-N 1 2 230.308 0.396 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ccn(C)n1 ZINC000274819408 398016758 /nfs/dbraw/zinc/01/67/58/398016758.db2.gz GQJAQGMVRCIAQB-UHFFFAOYSA-N 1 2 205.265 0.790 20 0 BCADLO OC[C@H](Nc1cc[nH+]cc1F)[C@@H]1CCCOC1 ZINC000641634394 398021374 /nfs/dbraw/zinc/02/13/74/398021374.db2.gz MUTDYZRIBAYVBC-SKDRFNHKSA-N 1 2 240.278 0.842 20 0 BCADLO CC[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(=O)OC ZINC000277360674 398028387 /nfs/dbraw/zinc/02/83/87/398028387.db2.gz YINYFGJTCINBJV-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO CC[C@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000649731845 398071415 /nfs/dbraw/zinc/07/14/15/398071415.db2.gz NQSYPGSCIWWIIN-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000649731845 398071419 /nfs/dbraw/zinc/07/14/19/398071419.db2.gz NQSYPGSCIWWIIN-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCn1cccn1 ZINC000291898847 398075548 /nfs/dbraw/zinc/07/55/48/398075548.db2.gz MHETVTWXOJKNEY-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOCC1CC1 ZINC000186936583 398078309 /nfs/dbraw/zinc/07/83/09/398078309.db2.gz XORKNBFRYPNZMI-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOCC1CC1 ZINC000186936583 398078310 /nfs/dbraw/zinc/07/83/10/398078310.db2.gz XORKNBFRYPNZMI-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)on1 ZINC000649742045 398080836 /nfs/dbraw/zinc/08/08/36/398080836.db2.gz NKISSNNFYRQJAC-WDEREUQCSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C)on1 ZINC000649742045 398080840 /nfs/dbraw/zinc/08/08/40/398080840.db2.gz NKISSNNFYRQJAC-WDEREUQCSA-N 1 2 226.276 0.565 20 0 BCADLO C[N@H+](Cc1nccs1)[C@@H]1COC[C@@H]1O ZINC000307756472 398084259 /nfs/dbraw/zinc/08/42/59/398084259.db2.gz IFDLGVZAZWLMGO-SFYZADRCSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@@H]1COC[C@@H]1O ZINC000307756472 398084262 /nfs/dbraw/zinc/08/42/62/398084262.db2.gz IFDLGVZAZWLMGO-SFYZADRCSA-N 1 2 214.290 0.335 20 0 BCADLO CC[N@H+](Cc1nccc(N)n1)[C@@H]1CCCOC1 ZINC000649755500 398086260 /nfs/dbraw/zinc/08/62/60/398086260.db2.gz PKWCJBRVBMGDAV-SNVBAGLBSA-N 1 2 236.319 0.890 20 0 BCADLO CC[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCOC1 ZINC000649755500 398086264 /nfs/dbraw/zinc/08/62/64/398086264.db2.gz PKWCJBRVBMGDAV-SNVBAGLBSA-N 1 2 236.319 0.890 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290986345 398087945 /nfs/dbraw/zinc/08/79/45/398087945.db2.gz ZFXVCSMJWAOVRO-BJOHPYRUSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290986345 398087950 /nfs/dbraw/zinc/08/79/50/398087950.db2.gz ZFXVCSMJWAOVRO-BJOHPYRUSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290986345 398087952 /nfs/dbraw/zinc/08/79/52/398087952.db2.gz ZFXVCSMJWAOVRO-BJOHPYRUSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000290986345 398087957 /nfs/dbraw/zinc/08/79/57/398087957.db2.gz ZFXVCSMJWAOVRO-BJOHPYRUSA-N 1 2 229.349 0.917 20 0 BCADLO CCOCC[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000116401563 398090160 /nfs/dbraw/zinc/09/01/60/398090160.db2.gz QKWQBEQYSNZZKH-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000116401563 398090161 /nfs/dbraw/zinc/09/01/61/398090161.db2.gz QKWQBEQYSNZZKH-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C)o1 ZINC000649762798 398091613 /nfs/dbraw/zinc/09/16/13/398091613.db2.gz XYGFEVXDJJAVSL-NXEZZACHSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C)o1 ZINC000649762798 398091616 /nfs/dbraw/zinc/09/16/16/398091616.db2.gz XYGFEVXDJJAVSL-NXEZZACHSA-N 1 2 226.276 0.565 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292092024 398100949 /nfs/dbraw/zinc/10/09/49/398100949.db2.gz NUWUEKXDWJGRMQ-GFCCVEGCSA-N 1 2 237.303 0.776 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@H](C)CO)CC2)[nH]1 ZINC000649798386 398106434 /nfs/dbraw/zinc/10/64/34/398106434.db2.gz ZDGUHZWGWZFHPU-SECBINFHSA-N 1 2 238.335 0.954 20 0 BCADLO C[N@H+](CC(N)=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000068810727 398097564 /nfs/dbraw/zinc/09/75/64/398097564.db2.gz QKWBYWQTYWRDPA-NSHDSACASA-N 1 2 247.298 0.209 20 0 BCADLO C[N@@H+](CC(N)=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000068810727 398097568 /nfs/dbraw/zinc/09/75/68/398097568.db2.gz QKWBYWQTYWRDPA-NSHDSACASA-N 1 2 247.298 0.209 20 0 BCADLO CC(C)(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698415 398110148 /nfs/dbraw/zinc/11/01/48/398110148.db2.gz USFHFXIYSORADB-SNVBAGLBSA-N 1 2 225.336 0.149 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCOC1 ZINC000294455578 398126522 /nfs/dbraw/zinc/12/65/22/398126522.db2.gz QBWZXIYDWXVEMG-NSCUHMNNSA-N 1 2 207.233 0.629 20 0 BCADLO Cc1nonc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000265128119 398130095 /nfs/dbraw/zinc/13/00/95/398130095.db2.gz MAHKYUWBQLXATD-QMMMGPOBSA-N 1 2 226.280 0.368 20 0 BCADLO COCC1(CNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000310290311 398130418 /nfs/dbraw/zinc/13/04/18/398130418.db2.gz YUEIODCQVHSWAH-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO COCC1(CNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000310290311 398130420 /nfs/dbraw/zinc/13/04/20/398130420.db2.gz YUEIODCQVHSWAH-UHFFFAOYSA-N 1 2 237.307 0.991 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000547974377 398134919 /nfs/dbraw/zinc/13/49/19/398134919.db2.gz GSTOBBFNIDVWPY-NSHDSACASA-N 1 2 237.307 0.355 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000547974377 398134923 /nfs/dbraw/zinc/13/49/23/398134923.db2.gz GSTOBBFNIDVWPY-NSHDSACASA-N 1 2 237.307 0.355 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCCOCC1 ZINC000371515058 167020404 /nfs/dbraw/zinc/02/04/04/167020404.db2.gz SCUZEXOBKYVOJX-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCCOCC1 ZINC000371515058 167020408 /nfs/dbraw/zinc/02/04/08/167020408.db2.gz SCUZEXOBKYVOJX-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000064138645 167047055 /nfs/dbraw/zinc/04/70/55/167047055.db2.gz LKNZTIOTKMABSE-UHFFFAOYSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000064138645 167047057 /nfs/dbraw/zinc/04/70/57/167047057.db2.gz LKNZTIOTKMABSE-UHFFFAOYSA-N 1 2 241.335 0.064 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@@H](O)C1 ZINC000227848156 487561372 /nfs/dbraw/zinc/56/13/72/487561372.db2.gz LNBVCGVLPMEFQI-JGVFFNPUSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@@H](O)C1 ZINC000227848156 487561376 /nfs/dbraw/zinc/56/13/76/487561376.db2.gz LNBVCGVLPMEFQI-JGVFFNPUSA-N 1 2 238.291 0.640 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1c[nH+]cn1C ZINC000674370488 487566298 /nfs/dbraw/zinc/56/62/98/487566298.db2.gz XZHCNNSTGHJLBK-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncccc2F)CC1 ZINC000169930055 487567385 /nfs/dbraw/zinc/56/73/85/487567385.db2.gz NJQDAACDDLQNGY-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N(CCO)C1CC1 ZINC000527250375 487569503 /nfs/dbraw/zinc/56/95/03/487569503.db2.gz LDRQVVNQDVZFDK-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N(CCO)C1CC1 ZINC000527250375 487569509 /nfs/dbraw/zinc/56/95/09/487569509.db2.gz LDRQVVNQDVZFDK-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC(=O)C1CC1 ZINC000527252656 487570075 /nfs/dbraw/zinc/57/00/75/487570075.db2.gz XCBIQKGSYNILET-UHFFFAOYSA-N 1 2 221.260 0.438 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC(=O)C1CC1 ZINC000527252656 487570077 /nfs/dbraw/zinc/57/00/77/487570077.db2.gz XCBIQKGSYNILET-UHFFFAOYSA-N 1 2 221.260 0.438 20 0 BCADLO CCOc1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000680359473 487574244 /nfs/dbraw/zinc/57/42/44/487574244.db2.gz HCPZMMISMBKJJS-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@@H](C(F)F)C2)nc1=O ZINC000680377802 487579400 /nfs/dbraw/zinc/57/94/00/487579400.db2.gz ZURQLMQERSGKFS-ZCFIWIBFSA-N 1 2 232.234 0.195 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@@H](C(F)F)C2)nc1=O ZINC000680377802 487579405 /nfs/dbraw/zinc/57/94/05/487579405.db2.gz ZURQLMQERSGKFS-ZCFIWIBFSA-N 1 2 232.234 0.195 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1n[nH]cc1C ZINC000685833665 487581773 /nfs/dbraw/zinc/58/17/73/487581773.db2.gz DFGOJPOKSHBZRN-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1n[nH]cc1C ZINC000685833665 487581776 /nfs/dbraw/zinc/58/17/76/487581776.db2.gz DFGOJPOKSHBZRN-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337440398 167232551 /nfs/dbraw/zinc/23/25/51/167232551.db2.gz FOZSUZXWXKPFFD-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337440398 167232554 /nfs/dbraw/zinc/23/25/54/167232554.db2.gz FOZSUZXWXKPFFD-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@H]1CO ZINC000159292969 487588799 /nfs/dbraw/zinc/58/87/99/487588799.db2.gz UCLKNSNCJGNYTI-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCOC[C@H]1CO ZINC000159292969 487588805 /nfs/dbraw/zinc/58/88/05/487588805.db2.gz UCLKNSNCJGNYTI-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCCOC(C)C ZINC000634527362 487588848 /nfs/dbraw/zinc/58/88/48/487588848.db2.gz VVRLEFNVZOMNPM-UHFFFAOYSA-N 1 2 225.292 0.802 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCCOC(C)C ZINC000634527362 487588854 /nfs/dbraw/zinc/58/88/54/487588854.db2.gz VVRLEFNVZOMNPM-UHFFFAOYSA-N 1 2 225.292 0.802 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368332102 167268952 /nfs/dbraw/zinc/26/89/52/167268952.db2.gz PMGJBMAEBZXKJE-MXWKQRLJSA-N 1 2 215.293 0.245 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368332102 167268955 /nfs/dbraw/zinc/26/89/55/167268955.db2.gz PMGJBMAEBZXKJE-MXWKQRLJSA-N 1 2 215.293 0.245 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCc1cn[nH]c1 ZINC000685894387 487592380 /nfs/dbraw/zinc/59/23/80/487592380.db2.gz MZPQRBBWEMKALC-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530309097 487595016 /nfs/dbraw/zinc/59/50/16/487595016.db2.gz AEMNNJVKDCBLJY-ZJUUUORDSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530309097 487595017 /nfs/dbraw/zinc/59/50/17/487595017.db2.gz AEMNNJVKDCBLJY-ZJUUUORDSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530309090 487595932 /nfs/dbraw/zinc/59/59/32/487595932.db2.gz AEMNNJVKDCBLJY-NXEZZACHSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530309090 487595936 /nfs/dbraw/zinc/59/59/36/487595936.db2.gz AEMNNJVKDCBLJY-NXEZZACHSA-N 1 2 223.276 0.636 20 0 BCADLO Cn1nccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000170740392 487596012 /nfs/dbraw/zinc/59/60/12/487596012.db2.gz ZLTFAZTXWSSZLL-UHFFFAOYSA-N 1 2 248.290 0.828 20 0 BCADLO Cn1c[nH+]cc1Cn1cnc2c(c1=O)CCCN2 ZINC000674648462 487601328 /nfs/dbraw/zinc/60/13/28/487601328.db2.gz GOVBLQSTJMWMLT-UHFFFAOYSA-N 1 2 245.286 0.383 20 0 BCADLO CCCn1nccc1C[N@H+](C)CCNC(C)=O ZINC000668275048 487609014 /nfs/dbraw/zinc/60/90/14/487609014.db2.gz QUMZLWVZISNLLU-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCn1nccc1C[N@@H+](C)CCNC(C)=O ZINC000668275048 487609021 /nfs/dbraw/zinc/60/90/21/487609021.db2.gz QUMZLWVZISNLLU-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000653888012 487608812 /nfs/dbraw/zinc/60/88/12/487608812.db2.gz DRBDIXPNTHEDGI-VIFPVBQESA-N 1 2 227.264 0.225 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000653888012 487608813 /nfs/dbraw/zinc/60/88/13/487608813.db2.gz DRBDIXPNTHEDGI-VIFPVBQESA-N 1 2 227.264 0.225 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C[C@@H]1F ZINC000653280839 487609303 /nfs/dbraw/zinc/60/93/03/487609303.db2.gz MCOZLWOKXAQKPJ-CSMHCCOUSA-N 1 2 214.240 0.081 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C[C@@H]1F ZINC000653280839 487609310 /nfs/dbraw/zinc/60/93/10/487609310.db2.gz MCOZLWOKXAQKPJ-CSMHCCOUSA-N 1 2 214.240 0.081 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1 ZINC000653281043 487609397 /nfs/dbraw/zinc/60/93/97/487609397.db2.gz VSIOXIZIXAFKEW-BQBZGAKWSA-N 1 2 248.229 0.105 20 0 BCADLO O=C1C[C@H]([N@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1 ZINC000653281043 487609403 /nfs/dbraw/zinc/60/94/03/487609403.db2.gz VSIOXIZIXAFKEW-BQBZGAKWSA-N 1 2 248.229 0.105 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C[C@H]1F ZINC000653280841 487609726 /nfs/dbraw/zinc/60/97/26/487609726.db2.gz MCOZLWOKXAQKPJ-PRJMDXOYSA-N 1 2 214.240 0.081 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C[C@H]1F ZINC000653280841 487609732 /nfs/dbraw/zinc/60/97/32/487609732.db2.gz MCOZLWOKXAQKPJ-PRJMDXOYSA-N 1 2 214.240 0.081 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000660692317 409557974 /nfs/dbraw/zinc/55/79/74/409557974.db2.gz OAMNKHYDVMNHAC-BDAKNGLRSA-N 1 2 200.257 0.651 20 0 BCADLO CCN1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000660692317 409557980 /nfs/dbraw/zinc/55/79/80/409557980.db2.gz OAMNKHYDVMNHAC-BDAKNGLRSA-N 1 2 200.257 0.651 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653890959 487610098 /nfs/dbraw/zinc/61/00/98/487610098.db2.gz TXUOZBCNZUCSSQ-VIFPVBQESA-N 1 2 229.280 0.207 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653890959 487610102 /nfs/dbraw/zinc/61/01/02/487610102.db2.gz TXUOZBCNZUCSSQ-VIFPVBQESA-N 1 2 229.280 0.207 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H](OC)C2CC2)C1 ZINC000660728977 409670462 /nfs/dbraw/zinc/67/04/62/409670462.db2.gz MGNYPORBGOVBHI-NSHDSACASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@]1(C(F)F)C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000662369259 409679675 /nfs/dbraw/zinc/67/96/75/409679675.db2.gz NZUIZQCOEJPBHL-SNVBAGLBSA-N 1 2 246.261 0.703 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000662369259 409679680 /nfs/dbraw/zinc/67/96/80/409679680.db2.gz NZUIZQCOEJPBHL-SNVBAGLBSA-N 1 2 246.261 0.703 20 0 BCADLO OCC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660838151 409825749 /nfs/dbraw/zinc/82/57/49/409825749.db2.gz RTZFXSBPVLQAIE-LLVKDONJSA-N 1 2 238.335 0.832 20 0 BCADLO OCC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660838151 409825753 /nfs/dbraw/zinc/82/57/53/409825753.db2.gz RTZFXSBPVLQAIE-LLVKDONJSA-N 1 2 238.335 0.832 20 0 BCADLO Cc1cnn(CC[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660843145 409837159 /nfs/dbraw/zinc/83/71/59/409837159.db2.gz VWDKOGICZWIVRP-UHFFFAOYSA-N 1 2 237.263 0.412 20 0 BCADLO Cc1cnn(CC[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660843145 409837167 /nfs/dbraw/zinc/83/71/67/409837167.db2.gz VWDKOGICZWIVRP-UHFFFAOYSA-N 1 2 237.263 0.412 20 0 BCADLO O=C1CC[N@H+](CCc2c[nH]nn2)C2(CCC2)C1 ZINC000660819801 409790773 /nfs/dbraw/zinc/79/07/73/409790773.db2.gz KQWAQJHVVAQOCV-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO O=C1CC[N@@H+](CCc2c[nH]nn2)C2(CCC2)C1 ZINC000660819801 409790779 /nfs/dbraw/zinc/79/07/79/409790779.db2.gz KQWAQJHVVAQOCV-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO O=C1CC[N@H+](CCc2cn[nH]n2)C2(CCC2)C1 ZINC000660819801 409790785 /nfs/dbraw/zinc/79/07/85/409790785.db2.gz KQWAQJHVVAQOCV-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO O=C1CC[N@@H+](CCc2cn[nH]n2)C2(CCC2)C1 ZINC000660819801 409790789 /nfs/dbraw/zinc/79/07/89/409790789.db2.gz KQWAQJHVVAQOCV-UHFFFAOYSA-N 1 2 234.303 0.935 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000660832251 409809104 /nfs/dbraw/zinc/80/91/04/409809104.db2.gz JVBDTTWJMOZJKM-SCZZXKLOSA-N 1 2 210.281 0.192 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1CCc1cnn[nH]1 ZINC000660832251 409809112 /nfs/dbraw/zinc/80/91/12/409809112.db2.gz JVBDTTWJMOZJKM-SCZZXKLOSA-N 1 2 210.281 0.192 20 0 BCADLO CN(Cc1cn[nH]c1)Cc1c[nH+]cn1C ZINC000674752717 487611338 /nfs/dbraw/zinc/61/13/38/487611338.db2.gz BAQIXRYTNLYMBU-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752262 487611395 /nfs/dbraw/zinc/61/13/95/487611395.db2.gz AGEITJSYTILQPE-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752262 487611396 /nfs/dbraw/zinc/61/13/96/487611396.db2.gz AGEITJSYTILQPE-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1cn(C)c[nH+]1 ZINC000660907219 409954185 /nfs/dbraw/zinc/95/41/85/409954185.db2.gz PLHWIYWAHDNMPE-QMMMGPOBSA-N 1 2 208.265 0.040 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752417 487611495 /nfs/dbraw/zinc/61/14/95/487611495.db2.gz RHZLNRCVAZWCFN-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752417 487611500 /nfs/dbraw/zinc/61/15/00/487611500.db2.gz RHZLNRCVAZWCFN-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO C[N@H+](CCCS(C)(=O)=O)Cc1cn[nH]c1 ZINC000674753001 487612881 /nfs/dbraw/zinc/61/28/81/487612881.db2.gz SHXJSLYYUFAYPM-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO C[N@@H+](CCCS(C)(=O)=O)Cc1cn[nH]c1 ZINC000674753001 487612883 /nfs/dbraw/zinc/61/28/83/487612883.db2.gz SHXJSLYYUFAYPM-UHFFFAOYSA-N 1 2 231.321 0.276 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](CCF)C1)N1CCC1 ZINC000626001127 410249291 /nfs/dbraw/zinc/24/92/91/410249291.db2.gz IUARQKUJJPDYTR-JTQLQIEISA-N 1 2 230.283 0.279 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](CCF)C1)N1CCC1 ZINC000626001127 410249295 /nfs/dbraw/zinc/24/92/95/410249295.db2.gz IUARQKUJJPDYTR-JTQLQIEISA-N 1 2 230.283 0.279 20 0 BCADLO C[N@H+]1C[C@H]2CN(c3cc[nH+]c(C(=O)[O-])c3)C[C@H]2C1 ZINC000650766156 410417837 /nfs/dbraw/zinc/41/78/37/410417837.db2.gz WJKHPKGMTWLZEF-AOOOYVTPSA-N 1 2 247.298 0.778 20 0 BCADLO C[N@@H+]1C[C@H]2CN(c3cc[nH+]c(C(=O)[O-])c3)C[C@H]2C1 ZINC000650766156 410417842 /nfs/dbraw/zinc/41/78/42/410417842.db2.gz WJKHPKGMTWLZEF-AOOOYVTPSA-N 1 2 247.298 0.778 20 0 BCADLO Cc1ccn(CCc2c[nH+]cn2C)c(=O)n1 ZINC000663965790 410406592 /nfs/dbraw/zinc/40/65/92/410406592.db2.gz ODUYFCSKXYGFIY-UHFFFAOYSA-N 1 2 218.260 0.528 20 0 BCADLO CCn1ccc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000300925965 487615778 /nfs/dbraw/zinc/61/57/78/487615778.db2.gz VBLTYPNDZFZPDW-SSDOTTSWSA-N 1 2 226.305 0.504 20 0 BCADLO O[C@@H]1C[N@H+](CCC2(O)CCC2)CC(F)(F)C1 ZINC000664081357 410455153 /nfs/dbraw/zinc/45/51/53/410455153.db2.gz AERMVNHAKBPCGL-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO O[C@@H]1C[N@@H+](CCC2(O)CCC2)CC(F)(F)C1 ZINC000664081357 410455158 /nfs/dbraw/zinc/45/51/58/410455158.db2.gz AERMVNHAKBPCGL-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO CCc1nn(CCc2c[nH+]cn2C)c(=O)n1CC ZINC000664105633 410459215 /nfs/dbraw/zinc/45/92/15/410459215.db2.gz WYIXRINIFPHRIC-UHFFFAOYSA-N 1 2 249.318 0.603 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000680581171 487617699 /nfs/dbraw/zinc/61/76/99/487617699.db2.gz NOMREXXBIVKYCW-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000680581171 487617703 /nfs/dbraw/zinc/61/77/03/487617703.db2.gz NOMREXXBIVKYCW-GVWIPJJGSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nc(N(C)C[C@@H]2COCCO2)cc[nH+]1 ZINC000664337742 410557862 /nfs/dbraw/zinc/55/78/62/410557862.db2.gz QDAWFYUUFIANGF-SNVBAGLBSA-N 1 2 223.276 0.637 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCOc3ccccc3C2)C(=O)N1 ZINC000653279951 410632818 /nfs/dbraw/zinc/63/28/18/410632818.db2.gz NGZWVXAXOYKAFP-JTQLQIEISA-N 1 2 246.266 0.296 20 0 BCADLO O=C1C[C@H]([N@H+]2CCOc3ccccc3C2)C(=O)N1 ZINC000653279951 410632827 /nfs/dbraw/zinc/63/28/27/410632827.db2.gz NGZWVXAXOYKAFP-JTQLQIEISA-N 1 2 246.266 0.296 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@@H](CC)CO)n1 ZINC000393421188 410684445 /nfs/dbraw/zinc/68/44/45/410684445.db2.gz NJRWXZARSNIFJS-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@H+](C)[C@@H](CC)CO)n1 ZINC000393421188 410684448 /nfs/dbraw/zinc/68/44/48/410684448.db2.gz NJRWXZARSNIFJS-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651083609 410788398 /nfs/dbraw/zinc/78/83/98/410788398.db2.gz GCQMAPKDLUTREM-VIFPVBQESA-N 1 2 237.303 0.259 20 0 BCADLO CC(C)N1C[C@H]([NH2+]Cc2cocn2)CC1=O ZINC000277087098 167032676 /nfs/dbraw/zinc/03/26/76/167032676.db2.gz UVPNXNHPLHUZQH-SECBINFHSA-N 1 2 223.276 0.774 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000184426493 167049141 /nfs/dbraw/zinc/04/91/41/167049141.db2.gz DPXYOACHENBDKG-JTQLQIEISA-N 1 2 236.319 0.994 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000184426493 167049143 /nfs/dbraw/zinc/04/91/43/167049143.db2.gz DPXYOACHENBDKG-JTQLQIEISA-N 1 2 236.319 0.994 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309085455 167059203 /nfs/dbraw/zinc/05/92/03/167059203.db2.gz WWMLQSNGIPZLLS-QMMMGPOBSA-N 1 2 211.265 0.850 20 0 BCADLO CC(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331444012 167071624 /nfs/dbraw/zinc/07/16/24/167071624.db2.gz IKMDDQCVBCCRAW-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337462202 167153409 /nfs/dbraw/zinc/15/34/09/167153409.db2.gz QAOQECDOGCEMLK-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337462202 167153410 /nfs/dbraw/zinc/15/34/10/167153410.db2.gz QAOQECDOGCEMLK-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO CC[N@@H+]1CCO[C@@H](CNCc2conc2C)C1 ZINC000397890123 410936385 /nfs/dbraw/zinc/93/63/85/410936385.db2.gz LSFWTPWNAQBCOP-LBPRGKRZSA-N 1 2 239.319 0.793 20 0 BCADLO CC[N@H+]1CCO[C@@H](CNCc2conc2C)C1 ZINC000397890123 410936388 /nfs/dbraw/zinc/93/63/88/410936388.db2.gz LSFWTPWNAQBCOP-LBPRGKRZSA-N 1 2 239.319 0.793 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330578178 167372199 /nfs/dbraw/zinc/37/21/99/167372199.db2.gz SAQSZFPYFKUFCS-VWYCJHECSA-N 1 2 246.326 0.552 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330578178 167372202 /nfs/dbraw/zinc/37/22/02/167372202.db2.gz SAQSZFPYFKUFCS-VWYCJHECSA-N 1 2 246.326 0.552 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CCF ZINC000652017314 410982084 /nfs/dbraw/zinc/98/20/84/410982084.db2.gz SRKMAAYJSOPPDB-VIFPVBQESA-N 1 2 201.245 0.528 20 0 BCADLO O[C@@]1(CCNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000651413731 410995362 /nfs/dbraw/zinc/99/53/62/410995362.db2.gz KOPJITIVINWXRZ-ZDUSSCGKSA-N 1 2 249.314 0.729 20 0 BCADLO CCN1C[C@@H](CNc2cc(C)[nH+]cn2)CC1=O ZINC000651422435 411008668 /nfs/dbraw/zinc/00/86/68/411008668.db2.gz ZXMGLSAHMNKCIP-SNVBAGLBSA-N 1 2 234.303 0.487 20 0 BCADLO C[C@@H](CCO)N(C)c1nc[nH+]c(N)c1Cl ZINC000651471761 411053773 /nfs/dbraw/zinc/05/37/73/411053773.db2.gz CYLXDNPAHZQHLH-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO C[C@@H](CCO)N(C)c1[nH+]cnc(N)c1Cl ZINC000651471761 411053776 /nfs/dbraw/zinc/05/37/76/411053776.db2.gz CYLXDNPAHZQHLH-LURJTMIESA-N 1 2 230.699 0.919 20 0 BCADLO CCn1ccnc1C[N@H+](C)C[C@H]1COCCO1 ZINC000661602962 411017651 /nfs/dbraw/zinc/01/76/51/411017651.db2.gz FMXMDNNTWXOSNY-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO CCn1ccnc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000661602962 411017657 /nfs/dbraw/zinc/01/76/57/411017657.db2.gz FMXMDNNTWXOSNY-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO CCN1C[C@@H]([NH2+][C@@H](C)c2cn[nH]c2C)CC1=O ZINC000651434886 411027408 /nfs/dbraw/zinc/02/74/08/411027408.db2.gz XTBBINCVEPTTBG-WPRPVWTQSA-N 1 2 236.319 0.990 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cc(C)no1 ZINC000044991610 411143084 /nfs/dbraw/zinc/14/30/84/411143084.db2.gz JCOGUDYGPYZXTN-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CC(=O)c1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000653673218 411164280 /nfs/dbraw/zinc/16/42/80/411164280.db2.gz NRAAFKQSNFMDTG-GHMZBOCLSA-N 1 2 240.259 0.069 20 0 BCADLO CC(=O)c1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000653673218 411164282 /nfs/dbraw/zinc/16/42/82/411164282.db2.gz NRAAFKQSNFMDTG-GHMZBOCLSA-N 1 2 240.259 0.069 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)on1 ZINC000653637495 411154276 /nfs/dbraw/zinc/15/42/76/411154276.db2.gz KWOAJWOTHZAAEJ-APPZFPTMSA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)on1 ZINC000653637495 411154279 /nfs/dbraw/zinc/15/42/79/411154279.db2.gz KWOAJWOTHZAAEJ-APPZFPTMSA-N 1 2 224.260 0.832 20 0 BCADLO CCn1ccnc1[C@@H](C)[NH2+]C1CN(C(C)=O)C1 ZINC000655781210 411157255 /nfs/dbraw/zinc/15/72/55/411157255.db2.gz XBBKLYVKJYGTQH-SECBINFHSA-N 1 2 236.319 0.784 20 0 BCADLO Cc1nc(C[N@@H+](C)CC(C)(CO)CO)c(C)o1 ZINC000660016785 411176664 /nfs/dbraw/zinc/17/66/64/411176664.db2.gz BHYNCUBGXQJEEB-UHFFFAOYSA-N 1 2 242.319 0.714 20 0 BCADLO Cc1nc(C[N@H+](C)CC(C)(CO)CO)c(C)o1 ZINC000660016785 411176667 /nfs/dbraw/zinc/17/66/67/411176667.db2.gz BHYNCUBGXQJEEB-UHFFFAOYSA-N 1 2 242.319 0.714 20 0 BCADLO c1nnn2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000653795008 411181243 /nfs/dbraw/zinc/18/12/43/411181243.db2.gz RYMCGQRNZGLQFT-JTQLQIEISA-N 1 2 208.265 0.273 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000653795008 411181245 /nfs/dbraw/zinc/18/12/45/411181245.db2.gz RYMCGQRNZGLQFT-JTQLQIEISA-N 1 2 208.265 0.273 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)co1 ZINC000660469134 411183237 /nfs/dbraw/zinc/18/32/37/411183237.db2.gz XWDAJFVZLCMERK-GHMZBOCLSA-N 1 2 235.287 0.693 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)co1 ZINC000660469134 411183238 /nfs/dbraw/zinc/18/32/38/411183238.db2.gz XWDAJFVZLCMERK-GHMZBOCLSA-N 1 2 235.287 0.693 20 0 BCADLO OCC(F)(F)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657978133 411186887 /nfs/dbraw/zinc/18/68/87/411186887.db2.gz IMVMSHJRATVXRM-QMMMGPOBSA-N 1 2 221.247 0.915 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](NC(N)=O)C1 ZINC000656151468 411187246 /nfs/dbraw/zinc/18/72/46/411187246.db2.gz WVXSAOMHHKLJLE-SECBINFHSA-N 1 2 235.291 0.340 20 0 BCADLO C[C@@H](C[NH+]1CC2(CC2(F)F)C1)S(C)(=O)=O ZINC000656154810 411188758 /nfs/dbraw/zinc/18/87/58/411188758.db2.gz VYFDXPUJMZCFJB-ZETCQYMHSA-N 1 2 239.287 0.761 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)O[C@H](CO)C1 ZINC000656180836 411193681 /nfs/dbraw/zinc/19/36/81/411193681.db2.gz OEZKHAQJONVKLC-KOLCDFICSA-N 1 2 237.303 0.679 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)O[C@H](CO)C1 ZINC000656180838 411193780 /nfs/dbraw/zinc/19/37/80/411193780.db2.gz OEZKHAQJONVKLC-ONGXEEELSA-N 1 2 237.303 0.679 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC2(CC2)C1 ZINC000656184861 411195864 /nfs/dbraw/zinc/19/58/64/411195864.db2.gz VMSKANZYPURCSB-UHFFFAOYSA-N 1 2 244.302 0.936 20 0 BCADLO COC[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656185981 411196759 /nfs/dbraw/zinc/19/67/59/411196759.db2.gz XPPPFODFZIHXIR-MRVPVSSYSA-N 1 2 227.264 0.213 20 0 BCADLO CN(Cc1nccn1C)c1cc(CO)cc[nH+]1 ZINC000062255422 411197690 /nfs/dbraw/zinc/19/76/90/411197690.db2.gz KJJXMSZKQUSVJL-UHFFFAOYSA-N 1 2 232.287 0.944 20 0 BCADLO Cc1ccc(-n2cc(C[N@H+](C)CCO)nn2)cc1 ZINC000656433255 411245081 /nfs/dbraw/zinc/24/50/81/411245081.db2.gz IVVFVVGXCFSGPF-UHFFFAOYSA-N 1 2 246.314 1.000 20 0 BCADLO Cc1ccc(-n2cc(C[N@@H+](C)CCO)nn2)cc1 ZINC000656433255 411245082 /nfs/dbraw/zinc/24/50/82/411245082.db2.gz IVVFVVGXCFSGPF-UHFFFAOYSA-N 1 2 246.314 1.000 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H](F)C1 ZINC000656194591 411201817 /nfs/dbraw/zinc/20/18/17/411201817.db2.gz LOKSBJGXNLXXGW-ZCFIWIBFSA-N 1 2 212.228 0.616 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H](F)C1 ZINC000656194591 411201818 /nfs/dbraw/zinc/20/18/18/411201818.db2.gz LOKSBJGXNLXXGW-ZCFIWIBFSA-N 1 2 212.228 0.616 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@H]([C@H](C)O)C1 ZINC000656201854 411207414 /nfs/dbraw/zinc/20/74/14/411207414.db2.gz QNWDGEWZSFTQQI-ONGXEEELSA-N 1 2 237.303 0.679 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(C)(C(N)=O)C1 ZINC000656203796 411208036 /nfs/dbraw/zinc/20/80/36/411208036.db2.gz SKEJNVDWYIOEPT-UHFFFAOYSA-N 1 2 220.276 0.405 20 0 BCADLO CCc1cc(NC[C@](C)(CO)OC)nc[nH+]1 ZINC000656206000 411208763 /nfs/dbraw/zinc/20/87/63/411208763.db2.gz MVNCGHUHJHMDOC-LLVKDONJSA-N 1 2 225.292 0.848 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@](C)(CO)OC ZINC000656208561 411209515 /nfs/dbraw/zinc/20/95/15/411209515.db2.gz NOLISWCMRIREFV-NSHDSACASA-N 1 2 241.291 0.603 20 0 BCADLO CO[C@](C)(CO)CNc1cc[nH+]c(C)n1 ZINC000656206742 411209563 /nfs/dbraw/zinc/20/95/63/411209563.db2.gz RMQCHJPSOXVLRZ-JTQLQIEISA-N 1 2 211.265 0.594 20 0 BCADLO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000658053716 411220754 /nfs/dbraw/zinc/22/07/54/411220754.db2.gz YMFLABNIHBCYGX-IUCAKERBSA-N 1 2 222.292 0.442 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1-c1cccnc1 ZINC000656437020 411248441 /nfs/dbraw/zinc/24/84/41/411248441.db2.gz VDGIATVDHPLNEB-NSHDSACASA-N 1 2 231.259 0.323 20 0 BCADLO COCC(C)(C)C[N@@H+]1CCn2nncc2C1 ZINC000656267608 411222767 /nfs/dbraw/zinc/22/27/67/411222767.db2.gz IVLBERAWQQIIPV-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO COCC(C)(C)C[N@H+]1CCn2nncc2C1 ZINC000656267608 411222771 /nfs/dbraw/zinc/22/27/71/411222771.db2.gz IVLBERAWQQIIPV-UHFFFAOYSA-N 1 2 224.308 0.766 20 0 BCADLO c1c(CC[NH+]2CCOCC2)nnn1C1CC1 ZINC000656455572 411264563 /nfs/dbraw/zinc/26/45/63/411264563.db2.gz FVSBNLMHVBGEPB-UHFFFAOYSA-N 1 2 222.292 0.488 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661709258 411266872 /nfs/dbraw/zinc/26/68/72/411266872.db2.gz ZZZMPSWGPVVZGN-BDAKNGLRSA-N 1 2 240.307 0.815 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)C(C)(C)OC)[nH]1 ZINC000658155510 411269096 /nfs/dbraw/zinc/26/90/96/411269096.db2.gz AOQMOVODXUXOMJ-MRVPVSSYSA-N 1 2 242.323 0.854 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)C(C)(C)OC)[nH]1 ZINC000658155511 411269257 /nfs/dbraw/zinc/26/92/57/411269257.db2.gz AOQMOVODXUXOMJ-QMMMGPOBSA-N 1 2 242.323 0.854 20 0 BCADLO CCOCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458829 411269406 /nfs/dbraw/zinc/26/94/06/411269406.db2.gz IPQUAJQLOUYHJS-UHFFFAOYSA-N 1 2 234.259 0.691 20 0 BCADLO CCc1ccncc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000652896577 411271704 /nfs/dbraw/zinc/27/17/04/411271704.db2.gz RQESIQGKXAUHEB-GFCCVEGCSA-N 1 2 249.314 0.913 20 0 BCADLO CCc1ccncc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000652896577 411271707 /nfs/dbraw/zinc/27/17/07/411271707.db2.gz RQESIQGKXAUHEB-GFCCVEGCSA-N 1 2 249.314 0.913 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000658159048 411272689 /nfs/dbraw/zinc/27/26/89/411272689.db2.gz MUUOJSBYKXZMBN-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)[C@H]2CCCO2)[nH]1 ZINC000658159048 411272693 /nfs/dbraw/zinc/27/26/93/411272693.db2.gz MUUOJSBYKXZMBN-RKDXNWHRSA-N 1 2 240.307 0.608 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000660165939 411274176 /nfs/dbraw/zinc/27/41/76/411274176.db2.gz NQAMJHXFOSBNRR-HRDYMLBCSA-N 1 2 224.308 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000660165939 411274178 /nfs/dbraw/zinc/27/41/78/411274178.db2.gz NQAMJHXFOSBNRR-HRDYMLBCSA-N 1 2 224.308 0.741 20 0 BCADLO Cc1nc(N[C@H](C)C[C@H]2CCOC2)nc(N)[nH+]1 ZINC000631164911 411277949 /nfs/dbraw/zinc/27/79/49/411277949.db2.gz DNFHZBZGMXHMMC-VXNVDRBHSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C[C@H]2CCOC2)[nH+]1 ZINC000631164911 411277952 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/nfs/dbraw/zinc/28/31/98/411283198.db2.gz QILAGELATXNNKL-ZETCQYMHSA-N 1 2 244.245 0.872 20 0 BCADLO Cc1nc(N2CCSC[C@@H](C)C2)nc(N)[nH+]1 ZINC000380339019 411283330 /nfs/dbraw/zinc/28/33/30/411283330.db2.gz KHCYMFIMIAMYMS-ZETCQYMHSA-N 1 2 239.348 0.952 20 0 BCADLO Cc1nc(N)nc(N2CCSC[C@@H](C)C2)[nH+]1 ZINC000380339019 411283331 /nfs/dbraw/zinc/28/33/31/411283331.db2.gz KHCYMFIMIAMYMS-ZETCQYMHSA-N 1 2 239.348 0.952 20 0 BCADLO Cc1cccc(CCCNc2ncnn2C)[nH+]1 ZINC000653465734 411283500 /nfs/dbraw/zinc/28/35/00/411283500.db2.gz MFAAZHGRWBIJCR-UHFFFAOYSA-N 1 2 231.303 0.985 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H](O)C23CCC3)nc(N)[nH+]1 ZINC000631365270 411284576 /nfs/dbraw/zinc/28/45/76/411284576.db2.gz RWRYLRQDSRIZPZ-JGVFFNPUSA-N 1 2 235.291 0.478 20 0 BCADLO Cc1nc(N)nc(N[C@H]2C[C@@H](O)C23CCC3)[nH+]1 ZINC000631365270 411284581 /nfs/dbraw/zinc/28/45/81/411284581.db2.gz RWRYLRQDSRIZPZ-JGVFFNPUSA-N 1 2 235.291 0.478 20 0 BCADLO CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656547791 411294642 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411322492 /nfs/dbraw/zinc/32/24/92/411322492.db2.gz DVIGHKQMDFYZFK-VHSXEESVSA-N 1 2 243.282 0.671 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCC[C@H]2O)n1 ZINC000656700203 411324161 /nfs/dbraw/zinc/32/41/61/411324161.db2.gz MVFDODNKYMGLDL-RKDXNWHRSA-N 1 2 239.323 0.431 20 0 BCADLO CCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656443268 411251075 /nfs/dbraw/zinc/25/10/75/411251075.db2.gz ZJKJMAPOIVVKKM-JTQLQIEISA-N 1 2 210.281 0.739 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000656446231 411255110 /nfs/dbraw/zinc/25/51/10/411255110.db2.gz OVYUOYMKIUGNQN-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000656446231 411255113 /nfs/dbraw/zinc/25/51/13/411255113.db2.gz OVYUOYMKIUGNQN-RNFRBKRXSA-N 1 2 213.199 0.630 20 0 BCADLO CCCCn1nnnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660145695 411260730 /nfs/dbraw/zinc/26/07/30/411260730.db2.gz VVYFVSHMVVMOEN-UHFFFAOYSA-N 1 2 249.322 0.828 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCCCO2)nc(N)[nH+]1 ZINC000383570917 411350862 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411366464 /nfs/dbraw/zinc/36/64/64/411366464.db2.gz HAQKLMYVOHROAF-JOYOIKCWSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)[nH]1 ZINC000662141805 411366467 /nfs/dbraw/zinc/36/64/67/411366467.db2.gz HAQKLMYVOHROAF-JOYOIKCWSA-N 1 2 238.335 0.817 20 0 BCADLO Cc1cncnc1NCCc1cn(C)c[nH+]1 ZINC000641627636 411371592 /nfs/dbraw/zinc/37/15/92/411371592.db2.gz QLQCIRWDEYPIFQ-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H](CO)CCF ZINC000652916996 411337273 /nfs/dbraw/zinc/33/72/73/411337273.db2.gz OESGUAAVSFEDSJ-SECBINFHSA-N 1 2 229.255 0.110 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000310199683 168006290 /nfs/dbraw/zinc/00/62/90/168006290.db2.gz APHILBWFVWARSD-SNVBAGLBSA-N 1 2 237.303 0.645 20 0 BCADLO CC1(O)CC[NH+](Cc2csnn2)CC1 ZINC000306613914 168067011 /nfs/dbraw/zinc/06/70/11/168067011.db2.gz LJYLHGLJNNEXCD-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328690816 168068252 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/nfs/dbraw/zinc/11/69/48/168116948.db2.gz GALQLVBQEYOONW-VIFPVBQESA-N 1 2 207.281 0.923 20 0 BCADLO CC[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917631 411381636 /nfs/dbraw/zinc/38/16/36/411381636.db2.gz HPILCHWGEZDLKK-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917631 411381641 /nfs/dbraw/zinc/38/16/41/411381641.db2.gz HPILCHWGEZDLKK-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376534847 168203052 /nfs/dbraw/zinc/20/30/52/168203052.db2.gz XEVVGPRUNZBCRK-JTQLQIEISA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376534847 168203054 /nfs/dbraw/zinc/20/30/54/168203054.db2.gz XEVVGPRUNZBCRK-JTQLQIEISA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CNC(=O)CCc1c[nH+]cn1C ZINC000356593306 168206369 /nfs/dbraw/zinc/20/63/69/168206369.db2.gz HTOYPHSTONADNJ-UHFFFAOYSA-N 1 2 223.276 0.448 20 0 BCADLO CCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000309987086 168221697 /nfs/dbraw/zinc/22/16/97/168221697.db2.gz YTPLVWNECKTTER-NSHDSACASA-N 1 2 219.288 0.965 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355087729 168228391 /nfs/dbraw/zinc/22/83/91/168228391.db2.gz NBUHMMAYXPYVEQ-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355087729 168228393 /nfs/dbraw/zinc/22/83/93/168228393.db2.gz NBUHMMAYXPYVEQ-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCc1cc(NCC[C@]2(O)CCOC2)nc[nH+]1 ZINC000404217497 411383652 /nfs/dbraw/zinc/38/36/52/411383652.db2.gz YATUJIXTFIHIPC-LBPRGKRZSA-N 1 2 237.303 0.414 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(C)(C)O ZINC000654850314 411454958 /nfs/dbraw/zinc/45/49/58/411454958.db2.gz MWCGBCPCGLNDKD-BDAKNGLRSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(C)(C)O ZINC000654850314 411454960 /nfs/dbraw/zinc/45/49/60/411454960.db2.gz MWCGBCPCGLNDKD-BDAKNGLRSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(C)(C)O ZINC000654850316 411455135 /nfs/dbraw/zinc/45/51/35/411455135.db2.gz MWCGBCPCGLNDKD-IUCAKERBSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(C)(C)O ZINC000654850316 411455137 /nfs/dbraw/zinc/45/51/37/411455137.db2.gz MWCGBCPCGLNDKD-IUCAKERBSA-N 1 2 239.319 0.864 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NC2CC2)n1 ZINC000657304837 411457240 /nfs/dbraw/zinc/45/72/40/411457240.db2.gz IZHAHLPVINXESG-UHFFFAOYSA-N 1 2 208.265 0.086 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000659812140 411460297 /nfs/dbraw/zinc/46/02/97/411460297.db2.gz PGCIYVLODLNURQ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000659812140 411460299 /nfs/dbraw/zinc/46/02/99/411460299.db2.gz PGCIYVLODLNURQ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO COC[C@H](C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028477 411395217 /nfs/dbraw/zinc/39/52/17/411395217.db2.gz IOOOTZMHOMPJHJ-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO COC[C@H](C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028477 411395220 /nfs/dbraw/zinc/39/52/20/411395220.db2.gz IOOOTZMHOMPJHJ-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000660304128 411396074 /nfs/dbraw/zinc/39/60/74/411396074.db2.gz BTKDTKVYPVRRPH-LBPRGKRZSA-N 1 2 249.314 0.600 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C)[C@@H](C)CO1 ZINC000657088807 411403649 /nfs/dbraw/zinc/40/36/49/411403649.db2.gz GCHCTEGKGJFGFL-VHSXEESVSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C)[C@@H](C)CO1 ZINC000657088807 411403652 /nfs/dbraw/zinc/40/36/52/411403652.db2.gz GCHCTEGKGJFGFL-VHSXEESVSA-N 1 2 229.324 0.367 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H](O)C1(C)C ZINC000131084068 411405458 /nfs/dbraw/zinc/40/54/58/411405458.db2.gz LJCXOSYKZQTSBE-RNFRBKRXSA-N 1 2 238.291 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H](O)C1(C)C ZINC000131084068 411405460 /nfs/dbraw/zinc/40/54/60/411405460.db2.gz LJCXOSYKZQTSBE-RNFRBKRXSA-N 1 2 238.291 0.639 20 0 BCADLO CCOCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654531491 411408859 /nfs/dbraw/zinc/40/88/59/411408859.db2.gz ZXYRLJHZXZILLN-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO CCOCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654531491 411408861 /nfs/dbraw/zinc/40/88/61/411408861.db2.gz ZXYRLJHZXZILLN-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000263689105 411411397 /nfs/dbraw/zinc/41/13/97/411411397.db2.gz HWCNVPGTHRXFLW-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO CCSCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189543509 411415148 /nfs/dbraw/zinc/41/51/48/411415148.db2.gz FCIPJQXQWJQLDE-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CCSCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189543509 411415150 /nfs/dbraw/zinc/41/51/50/411415150.db2.gz FCIPJQXQWJQLDE-VHSXEESVSA-N 1 2 247.360 0.738 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000268211031 411422864 /nfs/dbraw/zinc/42/28/64/411422864.db2.gz VMYZEMUEOGNQFF-IUCAKERBSA-N 1 2 223.276 0.984 20 0 BCADLO CO[C@@H](COCc1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000657255647 411428670 /nfs/dbraw/zinc/42/86/70/411428670.db2.gz NLHDYJCVTANULJ-UWVGGRQHSA-N 1 2 226.276 0.978 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654915290 411463239 /nfs/dbraw/zinc/46/32/39/411463239.db2.gz DIHANIVTXGHALO-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654915290 411463242 /nfs/dbraw/zinc/46/32/42/411463242.db2.gz DIHANIVTXGHALO-VHSXEESVSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653611175 411439789 /nfs/dbraw/zinc/43/97/89/411439789.db2.gz MROPDALDHNFYBU-SECBINFHSA-N 1 2 241.339 0.535 20 0 BCADLO COc1cc(C)[nH+]c(Cn2nc(C)oc2=O)c1 ZINC000657279277 411440007 /nfs/dbraw/zinc/44/00/07/411440007.db2.gz RDIYBWJMXLNACV-UHFFFAOYSA-N 1 2 235.243 0.905 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654809478 411448202 /nfs/dbraw/zinc/44/82/02/411448202.db2.gz DLPRYFYHDNZFCR-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654809478 411448205 /nfs/dbraw/zinc/44/82/05/411448205.db2.gz DLPRYFYHDNZFCR-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](C)CC2)[nH]n1 ZINC000126635008 411449183 /nfs/dbraw/zinc/44/91/83/411449183.db2.gz GTEPHKUGABYJMB-UHFFFAOYSA-N 1 2 222.292 0.360 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000126635008 411449185 /nfs/dbraw/zinc/44/91/85/411449185.db2.gz GTEPHKUGABYJMB-UHFFFAOYSA-N 1 2 222.292 0.360 20 0 BCADLO FC1(F)C[C@H]1OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000660386883 411449418 /nfs/dbraw/zinc/44/94/18/411449418.db2.gz FMXNPLHSUXDVGE-SECBINFHSA-N 1 2 244.245 0.587 20 0 BCADLO FC1(F)C[C@H]1OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000660386883 411449420 /nfs/dbraw/zinc/44/94/20/411449420.db2.gz FMXNPLHSUXDVGE-SECBINFHSA-N 1 2 244.245 0.587 20 0 BCADLO Cn1cnc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000660386816 411449726 /nfs/dbraw/zinc/44/97/26/411449726.db2.gz CWPOPTVFGVQVDC-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1cnc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000660386816 411449729 /nfs/dbraw/zinc/44/97/29/411449729.db2.gz CWPOPTVFGVQVDC-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000654824324 411451404 /nfs/dbraw/zinc/45/14/04/411451404.db2.gz AUROPSCMEVXHQE-TUAOUCFPSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000657291682 411453363 /nfs/dbraw/zinc/45/33/63/411453363.db2.gz ZUFJNUSSXVLIJA-SECBINFHSA-N 1 2 239.323 0.697 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCOC1 ZINC000654948000 411466944 /nfs/dbraw/zinc/46/69/44/411466944.db2.gz XHFOSJVLHAFWJZ-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCOC1 ZINC000654948000 411466945 /nfs/dbraw/zinc/46/69/45/411466945.db2.gz XHFOSJVLHAFWJZ-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cc(C)ncn1 ZINC000292143524 411468211 /nfs/dbraw/zinc/46/82/11/411468211.db2.gz IJVSSLRLDBHFPU-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cc(C)ncn1 ZINC000292143524 411468214 /nfs/dbraw/zinc/46/82/14/411468214.db2.gz IJVSSLRLDBHFPU-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO O=C(C[NH+]1CCSCC1)Nc1cnccn1 ZINC000659843723 411473291 /nfs/dbraw/zinc/47/32/91/411473291.db2.gz YKRGKFGTCMBTOE-UHFFFAOYSA-N 1 2 238.316 0.464 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cc(OC)no1 ZINC000659852740 411477090 /nfs/dbraw/zinc/47/70/90/411477090.db2.gz LHMPQWWIFRLRRX-UHFFFAOYSA-N 1 2 241.291 0.641 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cc(OC)no1 ZINC000659852740 411477092 /nfs/dbraw/zinc/47/70/92/411477092.db2.gz LHMPQWWIFRLRRX-UHFFFAOYSA-N 1 2 241.291 0.641 20 0 BCADLO Cn1c[nH+]c(CN2CCN(CC(F)F)CC2)c1 ZINC000659861584 411480793 /nfs/dbraw/zinc/48/07/93/411480793.db2.gz XJBKMZWIUPBGJZ-UHFFFAOYSA-N 1 2 244.289 0.803 20 0 BCADLO Cc1nc(C(=O)NC2C[NH+](C(C)C)C2)co1 ZINC000655051710 411485290 /nfs/dbraw/zinc/48/52/90/411485290.db2.gz VFSUMNPLTYIAPJ-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO CN1CC[C@@]([NH3+])(C(=O)NCC2(C(F)F)CC2)C1 ZINC000638720699 411491288 /nfs/dbraw/zinc/49/12/88/411491288.db2.gz LJDPDYQKXWPMIV-NSHDSACASA-N 1 2 247.289 0.181 20 0 BCADLO CN(CCNS(C)(=O)=O)c1cccc[nH+]1 ZINC000301287951 411493320 /nfs/dbraw/zinc/49/33/20/411493320.db2.gz PAOUECUSSCFLEB-UHFFFAOYSA-N 1 2 229.305 0.067 20 0 BCADLO Cc1c[nH]c(C[NH2+]C[C@H]2CCCS2(=O)=O)n1 ZINC000657399060 411494628 /nfs/dbraw/zinc/49/46/28/411494628.db2.gz GXIRRZZPPPBSOX-SECBINFHSA-N 1 2 243.332 0.385 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CCCF)n1 ZINC000657398422 411494919 /nfs/dbraw/zinc/49/49/19/411494919.db2.gz AQLIZAXLFUMEIR-UHFFFAOYSA-N 1 2 215.276 0.877 20 0 BCADLO Cc1c[nH]c(CNc2ccn(CCO)n2)[nH+]1 ZINC000657401208 411496068 /nfs/dbraw/zinc/49/60/68/411496068.db2.gz SBXFFRKNJWRMCZ-UHFFFAOYSA-N 1 2 221.264 0.519 20 0 BCADLO CCn1ccc(C[NH2+]Cc2cn[nH]c2)n1 ZINC000657490654 411533978 /nfs/dbraw/zinc/53/39/78/411533978.db2.gz MKQJFEMWJOQHIQ-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655119988 411498098 /nfs/dbraw/zinc/49/80/98/411498098.db2.gz FJAKQCZEWCCLBN-MWLCHTKSSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@H](CO)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655119988 411498100 /nfs/dbraw/zinc/49/81/00/411498100.db2.gz FJAKQCZEWCCLBN-MWLCHTKSSA-N 1 2 239.319 0.818 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1n[nH]cc1C ZINC000655124950 411499838 /nfs/dbraw/zinc/49/98/38/411499838.db2.gz ASINWNYUBYKMEZ-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](OC)C1CC1 ZINC000655126330 411500015 /nfs/dbraw/zinc/50/00/15/411500015.db2.gz CBMAMPHGZPCGRB-NSHDSACASA-N 1 2 237.303 0.944 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccn(C)n1 ZINC000655126631 411500083 /nfs/dbraw/zinc/50/00/83/411500083.db2.gz NWUZFLKWAAUWRQ-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)CO1 ZINC000657422557 411502599 /nfs/dbraw/zinc/50/25/99/411502599.db2.gz XONBVTOAHPMFBQ-RKDXNWHRSA-N 1 2 210.281 0.472 20 0 BCADLO Cc1c[nH]nc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000655142459 411503786 /nfs/dbraw/zinc/50/37/86/411503786.db2.gz GJYWTHCQIISYSC-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)[C@H]1CCN(C)C1=O ZINC000659942974 411505851 /nfs/dbraw/zinc/50/58/51/411505851.db2.gz GZKVGLHFWZMDPP-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NCC2CC2)n1 ZINC000657430059 411508471 /nfs/dbraw/zinc/50/84/71/411508471.db2.gz LTCTWBAFMJOWJD-UHFFFAOYSA-N 1 2 222.292 0.334 20 0 BCADLO CC(C)OCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657436015 411509520 /nfs/dbraw/zinc/50/95/20/411509520.db2.gz RKJRJWDQTZZDSJ-UHFFFAOYSA-N 1 2 241.339 0.943 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC(O)(CC)CC2)C1=O ZINC000659957002 411510969 /nfs/dbraw/zinc/51/09/69/411510969.db2.gz DURCPMJVNBTITB-JTQLQIEISA-N 1 2 242.319 0.386 20 0 BCADLO Cc1nc(NCCc2cnccn2)cc[nH+]1 ZINC000336750300 411511124 /nfs/dbraw/zinc/51/11/24/411511124.db2.gz ZMHOJRBNDCJEJD-UHFFFAOYSA-N 1 2 215.260 1.230 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000659989334 411521930 /nfs/dbraw/zinc/52/19/30/411521930.db2.gz IVDXRAXQVZFBOK-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO COC[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000659989334 411521931 /nfs/dbraw/zinc/52/19/31/411521931.db2.gz IVDXRAXQVZFBOK-JTQLQIEISA-N 1 2 210.281 0.458 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCCOC2)n1 ZINC000655814011 411523459 /nfs/dbraw/zinc/52/34/59/411523459.db2.gz GLXPMNDESBGKGS-SECBINFHSA-N 1 2 239.323 0.697 20 0 BCADLO CCOC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655815187 411523682 /nfs/dbraw/zinc/52/36/82/411523682.db2.gz YELQSGZJZPVMCV-SECBINFHSA-N 1 2 241.339 0.943 20 0 BCADLO CC[C@@H](COC)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814930 411523957 /nfs/dbraw/zinc/52/39/57/411523957.db2.gz UOBHRQVBLVGCIS-VIFPVBQESA-N 1 2 241.339 0.943 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000657477756 411526517 /nfs/dbraw/zinc/52/65/17/411526517.db2.gz YXFLJRAZSXGBTR-UMNHJUIQSA-N 1 2 249.314 0.765 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@@H](C)O ZINC000657481931 411526776 /nfs/dbraw/zinc/52/67/76/411526776.db2.gz LUKOXIRSYPZGHP-RKDXNWHRSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000657477754 411526963 /nfs/dbraw/zinc/52/69/63/411526963.db2.gz YXFLJRAZSXGBTR-FOGDFJRCSA-N 1 2 249.314 0.765 20 0 BCADLO C[C@H]1OCC[N@H+](CCc2c[nH]nn2)[C@H]1C ZINC000660011560 411527397 /nfs/dbraw/zinc/52/73/97/411527397.db2.gz OZLLPNJFXDTOFF-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@@H+](CCc2c[nH]nn2)[C@H]1C ZINC000660011560 411527399 /nfs/dbraw/zinc/52/73/99/411527399.db2.gz OZLLPNJFXDTOFF-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@H+](CCc2cn[nH]n2)[C@H]1C ZINC000660011560 411527400 /nfs/dbraw/zinc/52/74/00/411527400.db2.gz OZLLPNJFXDTOFF-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1OCC[N@@H+](CCc2cn[nH]n2)[C@H]1C ZINC000660011560 411527401 /nfs/dbraw/zinc/52/74/01/411527401.db2.gz OZLLPNJFXDTOFF-DTWKUNHWSA-N 1 2 210.281 0.456 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000357469961 170001587 /nfs/dbraw/zinc/00/15/87/170001587.db2.gz DHIWPPDYRSTRQN-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000357469961 170001589 /nfs/dbraw/zinc/00/15/89/170001589.db2.gz DHIWPPDYRSTRQN-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCF ZINC000378445730 170001898 /nfs/dbraw/zinc/00/18/98/170001898.db2.gz VZJAGVZHMAGAFA-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCF ZINC000378445730 170001899 /nfs/dbraw/zinc/00/18/99/170001899.db2.gz VZJAGVZHMAGAFA-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)CC(=O)NC(C)(C)C ZINC000659830483 411466142 /nfs/dbraw/zinc/46/61/42/411466142.db2.gz HWBRQWZMDJLMFS-UHFFFAOYSA-N 1 2 239.323 0.194 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)CC(=O)NC(C)(C)C ZINC000659830483 411466145 /nfs/dbraw/zinc/46/61/45/411466145.db2.gz HWBRQWZMDJLMFS-UHFFFAOYSA-N 1 2 239.323 0.194 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)CC(=O)NC(C)(C)C ZINC000659830483 411466148 /nfs/dbraw/zinc/46/61/48/411466148.db2.gz HWBRQWZMDJLMFS-UHFFFAOYSA-N 1 2 239.323 0.194 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)CC(=O)NC(C)(C)C ZINC000659830483 411466151 /nfs/dbraw/zinc/46/61/51/411466151.db2.gz HWBRQWZMDJLMFS-UHFFFAOYSA-N 1 2 239.323 0.194 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCOC1 ZINC000654947997 411466691 /nfs/dbraw/zinc/46/66/91/411466691.db2.gz XHFOSJVLHAFWJZ-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCOC1 ZINC000654947997 411466693 /nfs/dbraw/zinc/46/66/93/411466693.db2.gz XHFOSJVLHAFWJZ-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657505499 411540002 /nfs/dbraw/zinc/54/00/02/411540002.db2.gz QIVSDTXTSYAFTE-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660122751 411540167 /nfs/dbraw/zinc/54/01/67/411540167.db2.gz CFLYNHFXYFSNHO-GXSJLCMTSA-N 1 2 224.308 0.583 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660122751 411540169 /nfs/dbraw/zinc/54/01/69/411540169.db2.gz CFLYNHFXYFSNHO-GXSJLCMTSA-N 1 2 224.308 0.583 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H](C)C1 ZINC000358236816 170034841 /nfs/dbraw/zinc/03/48/41/170034841.db2.gz ULZAJJVMFKKCMD-JQWIXIFHSA-N 1 2 239.363 0.442 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCc2nc(C)n[nH]2)[C@@H](C)C1 ZINC000355669808 170035292 /nfs/dbraw/zinc/03/52/92/170035292.db2.gz HTJWQPBVFFLUMK-ONGXEEELSA-N 1 2 237.351 0.585 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000336775880 170035732 /nfs/dbraw/zinc/03/57/32/170035732.db2.gz CZSBDIWDBRHRPZ-JQWIXIFHSA-N 1 2 227.352 0.442 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000309491388 170036205 /nfs/dbraw/zinc/03/62/05/170036205.db2.gz XGQHLLBECJIRRX-JQWIXIFHSA-N 1 2 222.336 0.882 20 0 BCADLO CC(C)(C)n1cc(C[NH2+][C@H]2CCNC2=O)nn1 ZINC000657524021 411540544 /nfs/dbraw/zinc/54/05/44/411540544.db2.gz OUXOITLEGOCNDY-VIFPVBQESA-N 1 2 237.307 0.011 20 0 BCADLO CCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000354105812 170043084 /nfs/dbraw/zinc/04/30/84/170043084.db2.gz AVEPCNQTEOQORE-UHFFFAOYSA-N 1 2 223.232 0.165 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H](C)c1cnccn1 ZINC000184411285 170057082 /nfs/dbraw/zinc/05/70/82/170057082.db2.gz QPWPBFIWIJCFSN-JTQLQIEISA-N 1 2 236.319 0.996 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H](C)c1cnccn1 ZINC000184411285 170057084 /nfs/dbraw/zinc/05/70/84/170057084.db2.gz QPWPBFIWIJCFSN-JTQLQIEISA-N 1 2 236.319 0.996 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)ncn1 ZINC000292107882 170057720 /nfs/dbraw/zinc/05/77/20/170057720.db2.gz CSVIYAOTFRNBMT-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)ncn1 ZINC000292107882 170057721 /nfs/dbraw/zinc/05/77/21/170057721.db2.gz CSVIYAOTFRNBMT-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)NC1CC1 ZINC000102688974 170057962 /nfs/dbraw/zinc/05/79/62/170057962.db2.gz LMEOMOSWOGKYMP-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)NC1CC1 ZINC000102688974 170057964 /nfs/dbraw/zinc/05/79/64/170057964.db2.gz LMEOMOSWOGKYMP-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCc1c[nH]nn1 ZINC000660136459 411542909 /nfs/dbraw/zinc/54/29/09/411542909.db2.gz KLBCEFISEYNUMB-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCc1c[nH]nn1 ZINC000660136459 411542911 /nfs/dbraw/zinc/54/29/11/411542911.db2.gz KLBCEFISEYNUMB-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCc1cn[nH]n1 ZINC000660136459 411542912 /nfs/dbraw/zinc/54/29/12/411542912.db2.gz KLBCEFISEYNUMB-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCc1cn[nH]n1 ZINC000660136459 411542914 /nfs/dbraw/zinc/54/29/14/411542914.db2.gz KLBCEFISEYNUMB-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO CCNC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000336772182 170065368 /nfs/dbraw/zinc/06/53/68/170065368.db2.gz XRDAUACZOPERAH-LURJTMIESA-N 1 2 212.253 0.165 20 0 BCADLO CCNC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000336772186 170065524 /nfs/dbraw/zinc/06/55/24/170065524.db2.gz XRDAUACZOPERAH-ZCFIWIBFSA-N 1 2 212.253 0.165 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000660137273 411544020 /nfs/dbraw/zinc/54/40/20/411544020.db2.gz QFBDHUANHFKZLB-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000660137273 411544022 /nfs/dbraw/zinc/54/40/22/411544022.db2.gz QFBDHUANHFKZLB-NSHDSACASA-N 1 2 234.303 0.389 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000660137272 411544054 /nfs/dbraw/zinc/54/40/54/411544054.db2.gz QFBDHUANHFKZLB-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000660137272 411544055 /nfs/dbraw/zinc/54/40/55/411544055.db2.gz QFBDHUANHFKZLB-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000337815628 170079335 /nfs/dbraw/zinc/07/93/35/170079335.db2.gz NEGJIXQIEKNEAP-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000337815628 170079337 /nfs/dbraw/zinc/07/93/37/170079337.db2.gz NEGJIXQIEKNEAP-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO C[C@@H](c1nccc(N)n1)N(C)Cc1[nH]cc[nH+]1 ZINC000660141876 411544447 /nfs/dbraw/zinc/54/44/47/411544447.db2.gz KDPUKZNPVGRCJB-QMMMGPOBSA-N 1 2 232.291 0.975 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1ncccn1)C(C)C ZINC000339331475 170092063 /nfs/dbraw/zinc/09/20/63/170092063.db2.gz WLEYWNNMRNOEPV-NSHDSACASA-N 1 2 236.319 0.727 20 0 BCADLO CCNC(=O)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283712241 170092675 /nfs/dbraw/zinc/09/26/75/170092675.db2.gz YXAQKRIWPYBRNK-ZJELKQJVSA-N 1 2 236.275 0.064 20 0 BCADLO C[C@@H](NS(=O)(=O)CC1CC1)c1[nH+]ccn1C ZINC000660104201 411537073 /nfs/dbraw/zinc/53/70/73/411537073.db2.gz MWJNVPSINKYYRW-MRVPVSSYSA-N 1 2 243.332 0.811 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1cn[nH]c1C)C(C)C ZINC000339432021 170098862 /nfs/dbraw/zinc/09/88/62/170098862.db2.gz AGGJGZNYIKGDON-LLVKDONJSA-N 1 2 238.335 0.968 20 0 BCADLO NS(=O)(=O)c1cc(C[N@H+]2CC=CCC2)co1 ZINC000660221067 411555449 /nfs/dbraw/zinc/55/54/49/411555449.db2.gz OJXJOTFHBQVZEE-UHFFFAOYSA-N 1 2 242.300 0.689 20 0 BCADLO NS(=O)(=O)c1cc(C[N@@H+]2CC=CCC2)co1 ZINC000660221067 411555450 /nfs/dbraw/zinc/55/54/50/411555450.db2.gz OJXJOTFHBQVZEE-UHFFFAOYSA-N 1 2 242.300 0.689 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000660222623 411555749 /nfs/dbraw/zinc/55/57/49/411555749.db2.gz WSSUSPVHBBVFSX-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000660222623 411555751 /nfs/dbraw/zinc/55/57/51/411555751.db2.gz WSSUSPVHBBVFSX-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1OC[C@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000660143484 411544881 /nfs/dbraw/zinc/54/48/81/411544881.db2.gz WANQCBFNYYWQKP-QMMMGPOBSA-N 1 2 224.264 0.004 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)nc(C)n1 ZINC000660145706 411545549 /nfs/dbraw/zinc/54/55/49/411545549.db2.gz WBVFSFNEZGZADN-SNVBAGLBSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)nc(C)n1 ZINC000660145706 411545550 /nfs/dbraw/zinc/54/55/50/411545550.db2.gz WBVFSFNEZGZADN-SNVBAGLBSA-N 1 2 248.330 0.804 20 0 BCADLO CC[C@H]1C[N@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660150929 411547142 /nfs/dbraw/zinc/54/71/42/411547142.db2.gz MXRQQQKTKIMXES-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660150929 411547144 /nfs/dbraw/zinc/54/71/44/411547144.db2.gz MXRQQQKTKIMXES-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)C(C)C ZINC000308903204 170187516 /nfs/dbraw/zinc/18/75/16/170187516.db2.gz CNYYPCJIIGGOKG-VIFPVBQESA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000346232797 170204520 /nfs/dbraw/zinc/20/45/20/170204520.db2.gz BLHKILOINVDRQU-QMMMGPOBSA-N 1 2 241.295 0.156 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000346232797 170204521 /nfs/dbraw/zinc/20/45/21/170204521.db2.gz BLHKILOINVDRQU-QMMMGPOBSA-N 1 2 241.295 0.156 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nncn1C ZINC000150334738 170204622 /nfs/dbraw/zinc/20/46/22/170204622.db2.gz PCWFNKHBOYAMKQ-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nncn1C ZINC000150334738 170204623 /nfs/dbraw/zinc/20/46/23/170204623.db2.gz PCWFNKHBOYAMKQ-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000278945755 170208191 /nfs/dbraw/zinc/20/81/91/170208191.db2.gz VCUMDSULSZHOAO-UHFFFAOYSA-N 1 2 239.275 0.330 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000278945755 170208192 /nfs/dbraw/zinc/20/81/92/170208192.db2.gz VCUMDSULSZHOAO-UHFFFAOYSA-N 1 2 239.275 0.330 20 0 BCADLO CCOC(=O)CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000337329699 170214451 /nfs/dbraw/zinc/21/44/51/170214451.db2.gz FIOOBJJYUFAQNM-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000108148321 170219053 /nfs/dbraw/zinc/21/90/53/170219053.db2.gz QTUMLEFTFJBXCM-SNVBAGLBSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000108148321 170219055 /nfs/dbraw/zinc/21/90/55/170219055.db2.gz QTUMLEFTFJBXCM-SNVBAGLBSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336719160 170219735 /nfs/dbraw/zinc/21/97/35/170219735.db2.gz YWUDVTFSNKCYHD-SECBINFHSA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336719160 170219736 /nfs/dbraw/zinc/21/97/36/170219736.db2.gz YWUDVTFSNKCYHD-SECBINFHSA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368973092 170221598 /nfs/dbraw/zinc/22/15/98/170221598.db2.gz IXCBEHJSLVYUCP-NGZCFLSTSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368973092 170221599 /nfs/dbraw/zinc/22/15/99/170221599.db2.gz IXCBEHJSLVYUCP-NGZCFLSTSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276584701 170222377 /nfs/dbraw/zinc/22/23/77/170222377.db2.gz MCACOPDJLYSHHO-ONEGZZNKSA-N 1 2 223.232 0.102 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000309650947 170227149 /nfs/dbraw/zinc/22/71/49/170227149.db2.gz OCGWDXMPOHWYGN-IUCAKERBSA-N 1 2 228.292 0.054 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CCOC2)c(C)o1 ZINC000660237264 411557486 /nfs/dbraw/zinc/55/74/86/411557486.db2.gz CCFQJMPNQSDEPR-GFCCVEGCSA-N 1 2 240.303 0.875 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CCOC2)c(C)o1 ZINC000660237264 411557488 /nfs/dbraw/zinc/55/74/88/411557488.db2.gz CCFQJMPNQSDEPR-GFCCVEGCSA-N 1 2 240.303 0.875 20 0 BCADLO CCOC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179516853 170239647 /nfs/dbraw/zinc/23/96/47/170239647.db2.gz PFZRQJFBFPJVNC-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO CCOC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179516853 170239649 /nfs/dbraw/zinc/23/96/49/170239649.db2.gz PFZRQJFBFPJVNC-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CCOC2)co1 ZINC000660238735 411557566 /nfs/dbraw/zinc/55/75/66/411557566.db2.gz MYXRGQJREVIIOF-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CCOC2)co1 ZINC000660238735 411557567 /nfs/dbraw/zinc/55/75/67/411557567.db2.gz MYXRGQJREVIIOF-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587115 170251141 /nfs/dbraw/zinc/25/11/41/170251141.db2.gz KZEQWNXTVVCSGZ-MWLCHTKSSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587115 170251142 /nfs/dbraw/zinc/25/11/42/170251142.db2.gz KZEQWNXTVVCSGZ-MWLCHTKSSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)O)C1CCOCC1 ZINC000337208348 170255656 /nfs/dbraw/zinc/25/56/56/170255656.db2.gz QJMODPUEVBQUKZ-ONGXEEELSA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCOC)[C@@H]1CCCOC1 ZINC000111322093 170255859 /nfs/dbraw/zinc/25/58/59/170255859.db2.gz LQUKISAFISPDQG-MNOVXSKESA-N 1 2 245.319 0.581 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCCOC ZINC000336662552 170265172 /nfs/dbraw/zinc/26/51/72/170265172.db2.gz OOWGLZGXFRJEGC-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCCOC ZINC000336662552 170265175 /nfs/dbraw/zinc/26/51/75/170265175.db2.gz OOWGLZGXFRJEGC-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ccnn1C ZINC000338545585 170265382 /nfs/dbraw/zinc/26/53/82/170265382.db2.gz AYXBMILRUFGMCL-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ccnn1C ZINC000338545585 170265384 /nfs/dbraw/zinc/26/53/84/170265384.db2.gz AYXBMILRUFGMCL-JTQLQIEISA-N 1 2 239.319 0.846 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352666196 170271661 /nfs/dbraw/zinc/27/16/61/170271661.db2.gz GYRYPOZLOHDEBB-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352666196 170271662 /nfs/dbraw/zinc/27/16/62/170271662.db2.gz GYRYPOZLOHDEBB-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO COCc1nnc(C[NH2+]CC2(C)CC2)[nH]1 ZINC000657609601 411562553 /nfs/dbraw/zinc/56/25/53/411562553.db2.gz QNNZQGYEFPLJPB-UHFFFAOYSA-N 1 2 210.281 0.841 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CC1 ZINC000660268771 411562759 /nfs/dbraw/zinc/56/27/59/411562759.db2.gz OJPKKSGNQKQTDT-UHFFFAOYSA-N 1 2 208.265 0.961 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CC1 ZINC000660268771 411562760 /nfs/dbraw/zinc/56/27/60/411562760.db2.gz OJPKKSGNQKQTDT-UHFFFAOYSA-N 1 2 208.265 0.961 20 0 BCADLO CCOC(=O)[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000050064521 170280853 /nfs/dbraw/zinc/28/08/53/170280853.db2.gz KQEAWWYMEVLWRL-SNVBAGLBSA-N 1 2 237.303 0.948 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC1CC=CC1)C2 ZINC000660279210 411564997 /nfs/dbraw/zinc/56/49/97/411564997.db2.gz ZEHLEONVYOQIHP-UHFFFAOYSA-N 1 2 220.276 0.766 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC1CC=CC1)C2 ZINC000660279210 411564999 /nfs/dbraw/zinc/56/49/99/411564999.db2.gz ZEHLEONVYOQIHP-UHFFFAOYSA-N 1 2 220.276 0.766 20 0 BCADLO O=C1N=NC2C[N@H+](CC3CC=CC3)CCN12 ZINC000660279210 411565001 /nfs/dbraw/zinc/56/50/01/411565001.db2.gz ZEHLEONVYOQIHP-UHFFFAOYSA-N 1 2 220.276 0.766 20 0 BCADLO O=C1N=NC2C[N@@H+](CC3CC=CC3)CCN12 ZINC000660279210 411565002 /nfs/dbraw/zinc/56/50/02/411565002.db2.gz ZEHLEONVYOQIHP-UHFFFAOYSA-N 1 2 220.276 0.766 20 0 BCADLO C[C@@H](O)C[C@@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660287603 411565433 /nfs/dbraw/zinc/56/54/33/411565433.db2.gz DEKRSYMWZRUEJP-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO CCc1ncc(C[NH2+]Cc2cn(CC)nn2)cn1 ZINC000657625362 411565691 /nfs/dbraw/zinc/56/56/91/411565691.db2.gz ZELCFMKGDPAPQW-UHFFFAOYSA-N 1 2 246.318 0.940 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1cn(C)c[nH+]1 ZINC000660331164 411570511 /nfs/dbraw/zinc/57/05/11/411570511.db2.gz QFUXXGGMJGLADG-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn(C)cn2)[C@@H](C(N)=O)C1 ZINC000660332762 411570973 /nfs/dbraw/zinc/57/09/73/411570973.db2.gz UWPVGXQHSUPDPS-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)[C@@H](C(N)=O)C1 ZINC000660332762 411570974 /nfs/dbraw/zinc/57/09/74/411570974.db2.gz UWPVGXQHSUPDPS-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C(N)=O)C1 ZINC000660332762 411570975 /nfs/dbraw/zinc/57/09/75/411570975.db2.gz UWPVGXQHSUPDPS-MWLCHTKSSA-N 1 2 236.319 0.506 20 0 BCADLO CCOC1CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000287007745 170321316 /nfs/dbraw/zinc/32/13/16/170321316.db2.gz DKXKWWUMOZULCA-UHFFFAOYSA-N 1 2 237.303 0.814 20 0 BCADLO COC[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000660370874 411573923 /nfs/dbraw/zinc/57/39/23/411573923.db2.gz GFSOPGGUQRJLTF-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO COC[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000660370874 411573925 /nfs/dbraw/zinc/57/39/25/411573925.db2.gz GFSOPGGUQRJLTF-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660370650 411573933 /nfs/dbraw/zinc/57/39/33/411573933.db2.gz CFPJEVAJEWSZMP-JTQLQIEISA-N 1 2 224.308 0.440 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660370650 411573935 /nfs/dbraw/zinc/57/39/35/411573935.db2.gz CFPJEVAJEWSZMP-JTQLQIEISA-N 1 2 224.308 0.440 20 0 BCADLO CCOCC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000331891849 170355717 /nfs/dbraw/zinc/35/57/17/170355717.db2.gz MJDRJWJOJFSAHU-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CCOCC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000331891849 170355719 /nfs/dbraw/zinc/35/57/19/170355719.db2.gz MJDRJWJOJFSAHU-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC=C(COC)CC2)C1=O ZINC000660318968 411569079 /nfs/dbraw/zinc/56/90/79/411569079.db2.gz ONFHMTBEQHHSCQ-NSHDSACASA-N 1 2 240.303 0.427 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC=C(COC)CC2)C1=O ZINC000660318968 411569081 /nfs/dbraw/zinc/56/90/81/411569081.db2.gz ONFHMTBEQHHSCQ-NSHDSACASA-N 1 2 240.303 0.427 20 0 BCADLO CCOCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276708232 170375651 /nfs/dbraw/zinc/37/56/51/170375651.db2.gz QZJZTRXKAKZNCX-SNAWJCMRSA-N 1 2 223.276 0.966 20 0 BCADLO CCOCCCNC(=O)CCn1cc[nH+]c1 ZINC000338038269 170377338 /nfs/dbraw/zinc/37/73/38/170377338.db2.gz BYYZDGXLQFEJNS-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO CCOCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368487618 170378820 /nfs/dbraw/zinc/37/88/20/170378820.db2.gz VFEQCLGFJHHBSO-MRVPVSSYSA-N 1 2 236.262 0.526 20 0 BCADLO CCOCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000362272538 170387622 /nfs/dbraw/zinc/38/76/22/170387622.db2.gz GPEKWKDRZOKBIV-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000362272538 170387623 /nfs/dbraw/zinc/38/76/23/170387623.db2.gz GPEKWKDRZOKBIV-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660331623 411570316 /nfs/dbraw/zinc/57/03/16/411570316.db2.gz VGWPYANMNHCOES-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@@H]1O ZINC000660331623 411570318 /nfs/dbraw/zinc/57/03/18/411570318.db2.gz VGWPYANMNHCOES-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO CCOCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484813 170398256 /nfs/dbraw/zinc/39/82/56/170398256.db2.gz MPKDDVIPLXAPDE-SECBINFHSA-N 1 2 240.307 0.726 20 0 BCADLO CCOCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484813 170398258 /nfs/dbraw/zinc/39/82/58/170398258.db2.gz MPKDDVIPLXAPDE-SECBINFHSA-N 1 2 240.307 0.726 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)C2(C)CC2)CC1 ZINC000119812436 170399724 /nfs/dbraw/zinc/39/97/24/170399724.db2.gz ZYYMQFKDDLDNIY-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO Cc1nnc(C[N@H+](C2CC2)C2(CO)CCC2)[nH]1 ZINC000660772432 411623901 /nfs/dbraw/zinc/62/39/01/411623901.db2.gz ZRJBXOWNWPALSS-UHFFFAOYSA-N 1 2 236.319 0.993 20 0 BCADLO Cc1nnc(C[N@@H+](C2CC2)C2(CO)CCC2)[nH]1 ZINC000660772432 411623903 /nfs/dbraw/zinc/62/39/03/411623903.db2.gz ZRJBXOWNWPALSS-UHFFFAOYSA-N 1 2 236.319 0.993 20 0 BCADLO Cn1cnnc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660771603 411624393 /nfs/dbraw/zinc/62/43/93/411624393.db2.gz ADEFFHQKVPJDDM-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cn1cnnc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660771603 411624395 /nfs/dbraw/zinc/62/43/95/411624395.db2.gz ADEFFHQKVPJDDM-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000665591378 411625128 /nfs/dbraw/zinc/62/51/28/411625128.db2.gz HVIHZXCSGUHFFI-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000665591378 411625132 /nfs/dbraw/zinc/62/51/32/411625132.db2.gz HVIHZXCSGUHFFI-MRVPVSSYSA-N 1 2 245.286 0.887 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](CF)C1=O ZINC000663328694 411626128 /nfs/dbraw/zinc/62/61/28/411626128.db2.gz SSVBSNWKRQUJGX-RQJHMYQMSA-N 1 2 240.238 0.371 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@H](CF)C1=O ZINC000663328691 411626169 /nfs/dbraw/zinc/62/61/69/411626169.db2.gz SSVBSNWKRQUJGX-NKWVEPMBSA-N 1 2 240.238 0.371 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)CN(C2CC2)C1=O ZINC000663328416 411626414 /nfs/dbraw/zinc/62/64/14/411626414.db2.gz QZKUJQMZNHDEDK-MRVPVSSYSA-N 1 2 248.286 0.908 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](C2CC2)C1=O ZINC000663328106 411627056 /nfs/dbraw/zinc/62/70/56/411627056.db2.gz OVZCBSCLJOPPLM-CBAPKCEASA-N 1 2 248.286 0.812 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)no1 ZINC000364993155 411627199 /nfs/dbraw/zinc/62/71/99/411627199.db2.gz JWCXXEMBOLJAAO-SECBINFHSA-N 1 2 246.270 1.381 20 0 BCADLO Cc1cc(NCCC2(CO)CC2)nc[nH+]1 ZINC000395814213 411646779 /nfs/dbraw/zinc/64/67/79/411646779.db2.gz ZSGVALBGKMQPMN-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)nn1C ZINC000565184422 411630092 /nfs/dbraw/zinc/63/00/92/411630092.db2.gz ZSBRKEHVSXCQQI-JTQLQIEISA-N 1 2 236.319 1.007 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(F)F ZINC000660783374 411631181 /nfs/dbraw/zinc/63/11/81/411631181.db2.gz OTATYNXCOFDLKP-UHFFFAOYSA-N 1 2 218.207 0.816 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(F)F ZINC000660783374 411631183 /nfs/dbraw/zinc/63/11/83/411631183.db2.gz OTATYNXCOFDLKP-UHFFFAOYSA-N 1 2 218.207 0.816 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000660806273 411640517 /nfs/dbraw/zinc/64/05/17/411640517.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000660806273 411640524 /nfs/dbraw/zinc/64/05/24/411640524.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000660806273 411640530 /nfs/dbraw/zinc/64/05/30/411640530.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000660806273 411640533 /nfs/dbraw/zinc/64/05/33/411640533.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000660806273 411640540 /nfs/dbraw/zinc/64/05/40/411640540.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000660806273 411640544 /nfs/dbraw/zinc/64/05/44/411640544.db2.gz RMZMYTVQINCTFL-VIFPVBQESA-N 1 2 232.291 0.826 20 0 BCADLO C[N@H+](CCC1(O)CCC1)Cc1n[nH]c(=O)o1 ZINC000660844745 411640707 /nfs/dbraw/zinc/64/07/07/411640707.db2.gz UXYAFSSWYWURPC-UHFFFAOYSA-N 1 2 227.264 0.512 20 0 BCADLO C[N@@H+](CCC1(O)CCC1)Cc1n[nH]c(=O)o1 ZINC000660844745 411640713 /nfs/dbraw/zinc/64/07/13/411640713.db2.gz UXYAFSSWYWURPC-UHFFFAOYSA-N 1 2 227.264 0.512 20 0 BCADLO Cc1c(N[C@H](C)CO)nc[nH+]c1N[C@H](C)CO ZINC000663380092 411642093 /nfs/dbraw/zinc/64/20/93/411642093.db2.gz UILALGURMBYNLU-HTQZYQBOSA-N 1 2 240.307 0.370 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000660810042 411643264 /nfs/dbraw/zinc/64/32/64/411643264.db2.gz BUUANRDVSJKQIR-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000660810042 411643265 /nfs/dbraw/zinc/64/32/65/411643265.db2.gz BUUANRDVSJKQIR-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(NCCC2(O)CCOCC2)nc[nH+]1 ZINC000343272300 411647338 /nfs/dbraw/zinc/64/73/38/411647338.db2.gz QGCNHZPGKHSDNG-UHFFFAOYSA-N 1 2 237.303 1.129 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(C)o1 ZINC000660395350 411579015 /nfs/dbraw/zinc/57/90/15/411579015.db2.gz JFDGNERONOELSH-CMPLNLGQSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(C)o1 ZINC000660395350 411579016 /nfs/dbraw/zinc/57/90/16/411579016.db2.gz JFDGNERONOELSH-CMPLNLGQSA-N 1 2 240.303 0.467 20 0 BCADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660475962 411590758 /nfs/dbraw/zinc/59/07/58/411590758.db2.gz DDFLFNQTOBVBKY-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660475962 411590759 /nfs/dbraw/zinc/59/07/59/411590759.db2.gz DDFLFNQTOBVBKY-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)co1 ZINC000660480282 411591624 /nfs/dbraw/zinc/59/16/24/411591624.db2.gz SUUBRWZLDGGECE-XVKPBYJWSA-N 1 2 223.276 0.597 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CC(=O)N1C ZINC000660483142 411591912 /nfs/dbraw/zinc/59/19/12/411591912.db2.gz LUDFQVBZBBGWJN-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO CO[C@H](C[NH2+]Cc1nnn(C)n1)C1CCCC1 ZINC000657766983 411593648 /nfs/dbraw/zinc/59/36/48/411593648.db2.gz GRJHUMHOOQGKCO-SNVBAGLBSA-N 1 2 239.323 0.505 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660490001 411593743 /nfs/dbraw/zinc/59/37/43/411593743.db2.gz UNHWVGLRBLMULO-DTWKUNHWSA-N 1 2 239.237 0.817 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660490001 411593745 /nfs/dbraw/zinc/59/37/45/411593745.db2.gz UNHWVGLRBLMULO-DTWKUNHWSA-N 1 2 239.237 0.817 20 0 BCADLO OCC[C@H]1CCCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660497269 411594222 /nfs/dbraw/zinc/59/42/22/411594222.db2.gz VYFNYCWUEWCFJN-GFCCVEGCSA-N 1 2 238.335 0.974 20 0 BCADLO OCC[C@H]1CCCCC[N@H+]1CCc1cnn[nH]1 ZINC000660497269 411594224 /nfs/dbraw/zinc/59/42/24/411594224.db2.gz VYFNYCWUEWCFJN-GFCCVEGCSA-N 1 2 238.335 0.974 20 0 BCADLO Cc1cnc(CN2CCn3c[nH+]cc3C2)nc1 ZINC000660582047 411603217 /nfs/dbraw/zinc/60/32/17/411603217.db2.gz NQCUIYLOLQNDAW-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO O[C@H](CN1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000660582522 411603332 /nfs/dbraw/zinc/60/33/32/411603332.db2.gz VGKYCSTWNLCRLJ-MRVPVSSYSA-N 1 2 235.209 0.622 20 0 BCADLO Cc1nnc(CN2CCn3c[nH+]cc3C2)[nH]1 ZINC000660585034 411603680 /nfs/dbraw/zinc/60/36/80/411603680.db2.gz XOOFHCUKUBLUTH-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO C[C@@H](CN1CCn2c[nH+]cc2C1)S(C)(=O)=O ZINC000660582924 411604209 /nfs/dbraw/zinc/60/42/09/411604209.db2.gz BLZOVLWUJOPKPQ-VIFPVBQESA-N 1 2 243.332 0.132 20 0 BCADLO COCC[C@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660596700 411605230 /nfs/dbraw/zinc/60/52/30/411605230.db2.gz NZXBEFPGGSDDFI-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(C)nc(C)n1 ZINC000660617566 411607761 /nfs/dbraw/zinc/60/77/61/411607761.db2.gz MLYAXHASVQBDQM-UHFFFAOYSA-N 1 2 236.319 0.791 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)nc(C)n1 ZINC000660617566 411607764 /nfs/dbraw/zinc/60/77/64/411607764.db2.gz MLYAXHASVQBDQM-UHFFFAOYSA-N 1 2 236.319 0.791 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@@H](C)[C@H]1C ZINC000660639730 411610811 /nfs/dbraw/zinc/61/08/11/411610811.db2.gz JZEGTFFAJNPUFH-DOLQZWNJSA-N 1 2 233.333 0.139 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H](C)[C@H]1C ZINC000660639730 411610812 /nfs/dbraw/zinc/61/08/12/411610812.db2.gz JZEGTFFAJNPUFH-DOLQZWNJSA-N 1 2 233.333 0.139 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000390514637 411615977 /nfs/dbraw/zinc/61/59/77/411615977.db2.gz CPMNNHHWHMBIPC-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000390514637 411615979 /nfs/dbraw/zinc/61/59/79/411615979.db2.gz CPMNNHHWHMBIPC-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCOC1 ZINC000660706466 411618567 /nfs/dbraw/zinc/61/85/67/411618567.db2.gz VKGJDSJOZMSPPJ-VIFPVBQESA-N 1 2 238.291 0.730 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCOC1 ZINC000660706466 411618568 /nfs/dbraw/zinc/61/85/68/411618568.db2.gz VKGJDSJOZMSPPJ-VIFPVBQESA-N 1 2 238.291 0.730 20 0 BCADLO CCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660732306 411619394 /nfs/dbraw/zinc/61/93/94/411619394.db2.gz NNIXTOVFYUMVRB-UHFFFAOYSA-N 1 2 205.323 0.905 20 0 BCADLO COC[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000660738068 411620216 /nfs/dbraw/zinc/62/02/16/411620216.db2.gz OKEQQKVGPFTGST-DTWKUNHWSA-N 1 2 241.278 0.596 20 0 BCADLO COC[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000660738068 411620217 /nfs/dbraw/zinc/62/02/17/411620217.db2.gz OKEQQKVGPFTGST-DTWKUNHWSA-N 1 2 241.278 0.596 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660758262 411621112 /nfs/dbraw/zinc/62/11/12/411621112.db2.gz NVUINJFZFAUSKF-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660758262 411621113 /nfs/dbraw/zinc/62/11/13/411621113.db2.gz NVUINJFZFAUSKF-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H](NC(=O)NCCF)c1[nH+]ccn1C ZINC000661120725 411714168 /nfs/dbraw/zinc/71/41/68/411714168.db2.gz HMCWSNVQJIDBLL-SSDOTTSWSA-N 1 2 214.244 0.750 20 0 BCADLO CCO[C@H]1C[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000562533817 411715324 /nfs/dbraw/zinc/71/53/24/411715324.db2.gz ZNPWQRIWFIGYCT-BDAKNGLRSA-N 1 2 237.307 0.835 20 0 BCADLO CCO[C@H]1C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000562533817 411715327 /nfs/dbraw/zinc/71/53/27/411715327.db2.gz ZNPWQRIWFIGYCT-BDAKNGLRSA-N 1 2 237.307 0.835 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC000660832841 411648970 /nfs/dbraw/zinc/64/89/70/411648970.db2.gz HQHKAJVDEGUCND-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC000660832841 411648977 /nfs/dbraw/zinc/64/89/77/411648977.db2.gz HQHKAJVDEGUCND-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000660833282 411650516 /nfs/dbraw/zinc/65/05/16/411650516.db2.gz MARHFPZSNZSRNH-SECBINFHSA-N 1 2 240.332 0.557 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000660833282 411650521 /nfs/dbraw/zinc/65/05/21/411650521.db2.gz MARHFPZSNZSRNH-SECBINFHSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1cc(NC[C@H]2COCC[N@H+]2C)ncn1 ZINC000624619674 411653290 /nfs/dbraw/zinc/65/32/90/411653290.db2.gz IHZCHPOIQHUSIC-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)ncn1 ZINC000624619674 411653295 /nfs/dbraw/zinc/65/32/95/411653295.db2.gz IHZCHPOIQHUSIC-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cncc(F)c1 ZINC000660842821 411653514 /nfs/dbraw/zinc/65/35/14/411653514.db2.gz RPOBPGAKHRXGOG-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cncc(F)c1 ZINC000660842821 411653517 /nfs/dbraw/zinc/65/35/17/411653517.db2.gz RPOBPGAKHRXGOG-UHFFFAOYSA-N 1 2 238.222 0.941 20 0 BCADLO C[N@H+](CCc1cscn1)Cc1n[nH]c(=O)o1 ZINC000660843091 411653558 /nfs/dbraw/zinc/65/35/58/411653558.db2.gz UTQBVZOGJNTGSE-UHFFFAOYSA-N 1 2 240.288 0.906 20 0 BCADLO C[N@@H+](CCc1cscn1)Cc1n[nH]c(=O)o1 ZINC000660843091 411653563 /nfs/dbraw/zinc/65/35/63/411653563.db2.gz UTQBVZOGJNTGSE-UHFFFAOYSA-N 1 2 240.288 0.906 20 0 BCADLO COC[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000380334093 411655792 /nfs/dbraw/zinc/65/57/92/411655792.db2.gz PJXDUGLJVGLLSI-SNVBAGLBSA-N 1 2 211.265 0.594 20 0 BCADLO COCC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848105 411656123 /nfs/dbraw/zinc/65/61/23/411656123.db2.gz MHEDDEYHBVZQAH-ZETCQYMHSA-N 1 2 215.253 0.632 20 0 BCADLO COCC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848105 411656125 /nfs/dbraw/zinc/65/61/25/411656125.db2.gz MHEDDEYHBVZQAH-ZETCQYMHSA-N 1 2 215.253 0.632 20 0 BCADLO COCc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000575225155 411656874 /nfs/dbraw/zinc/65/68/74/411656874.db2.gz AOCWQUYFMLUABI-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO COC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849679 411657292 /nfs/dbraw/zinc/65/72/92/411657292.db2.gz PSPYRESLRKCJEA-LURJTMIESA-N 1 2 201.226 0.242 20 0 BCADLO COC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849679 411657294 /nfs/dbraw/zinc/65/72/94/411657294.db2.gz PSPYRESLRKCJEA-LURJTMIESA-N 1 2 201.226 0.242 20 0 BCADLO Cc1cc(N[C@H](CO)[C@@H](C)O)nc(C(C)C)[nH+]1 ZINC000413451794 411658253 /nfs/dbraw/zinc/65/82/53/411658253.db2.gz MRYCZERQXRFOOJ-NXEZZACHSA-N 1 2 239.319 1.062 20 0 BCADLO Cc1nc(C[NH+]2CC(C)(C(N)=O)C2)co1 ZINC000660898017 411663638 /nfs/dbraw/zinc/66/36/38/411663638.db2.gz UETCKOKYOBQEAA-UHFFFAOYSA-N 1 2 209.249 0.290 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](OC(C)C)C2)C1=O ZINC000660896467 411663725 /nfs/dbraw/zinc/66/37/25/411663725.db2.gz PQQXUOLSBNJVTQ-MNOVXSKESA-N 1 2 242.319 0.648 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@@H](OC(C)C)C2)C1=O ZINC000660896467 411663728 /nfs/dbraw/zinc/66/37/28/411663728.db2.gz PQQXUOLSBNJVTQ-MNOVXSKESA-N 1 2 242.319 0.648 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)CCNC(C)=O)[nH]1 ZINC000660904890 411667758 /nfs/dbraw/zinc/66/77/58/411667758.db2.gz UUPSXZPGUMCJHO-QMMMGPOBSA-N 1 2 239.323 0.496 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)CCNC(C)=O)[nH]1 ZINC000660904890 411667759 /nfs/dbraw/zinc/66/77/59/411667759.db2.gz UUPSXZPGUMCJHO-QMMMGPOBSA-N 1 2 239.323 0.496 20 0 BCADLO CO[C@H]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631191162 411675778 /nfs/dbraw/zinc/67/57/78/411675778.db2.gz CMBZDZIRQKOELD-IUCAKERBSA-N 1 2 237.307 0.411 20 0 BCADLO CO[C@H]1CCC[C@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631191162 411675784 /nfs/dbraw/zinc/67/57/84/411675784.db2.gz CMBZDZIRQKOELD-IUCAKERBSA-N 1 2 237.307 0.411 20 0 BCADLO OC[C@@H]1CCCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660923754 411675836 /nfs/dbraw/zinc/67/58/36/411675836.db2.gz QYLWEXUEJIKSNE-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO OC[C@@H]1CCCCC[N@H+]1CCc1cnn[nH]1 ZINC000660923754 411675842 /nfs/dbraw/zinc/67/58/42/411675842.db2.gz QYLWEXUEJIKSNE-NSHDSACASA-N 1 2 224.308 0.584 20 0 BCADLO CO[C@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000342459488 411675892 /nfs/dbraw/zinc/67/58/92/411675892.db2.gz PKYAVIBSVQGNQR-JGVFFNPUSA-N 1 2 239.323 1.081 20 0 BCADLO CO[C@H](C)[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000342459488 411675895 /nfs/dbraw/zinc/67/58/95/411675895.db2.gz PKYAVIBSVQGNQR-JGVFFNPUSA-N 1 2 239.323 1.081 20 0 BCADLO COc1c(CNc2cc[nH+]c(C)n2)c(C)nn1C ZINC000359247877 411678940 /nfs/dbraw/zinc/67/89/40/411678940.db2.gz XPEZLFYLXVOCKQ-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cc(C)nn1C ZINC000390412477 411681628 /nfs/dbraw/zinc/68/16/28/411681628.db2.gz LTIOEJQALYRMLQ-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cc(C)nn1C ZINC000390412477 411681633 /nfs/dbraw/zinc/68/16/33/411681633.db2.gz LTIOEJQALYRMLQ-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@H](C)O1 ZINC000397934764 411682815 /nfs/dbraw/zinc/68/28/15/411682815.db2.gz WPEZUNIKJYLDGT-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@H](C)O1 ZINC000397934764 411682819 /nfs/dbraw/zinc/68/28/19/411682819.db2.gz WPEZUNIKJYLDGT-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](O)C(F)F ZINC000631460059 411683141 /nfs/dbraw/zinc/68/31/41/411683141.db2.gz HEFORPYBLUUKEZ-RXMQYKEDSA-N 1 2 248.233 0.495 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](O)C(F)F ZINC000631460059 411683144 /nfs/dbraw/zinc/68/31/44/411683144.db2.gz HEFORPYBLUUKEZ-RXMQYKEDSA-N 1 2 248.233 0.495 20 0 BCADLO O[C@H]1C[C@@H](CNc2[nH+]cnc3c2OCCN3)C1 ZINC000624667681 411696595 /nfs/dbraw/zinc/69/65/95/411696595.db2.gz ZJJMFGBXXWSTLT-ZKCHVHJHSA-N 1 2 236.275 0.464 20 0 BCADLO O[C@H]1C[C@@H](CNc2nc[nH+]c3c2OCCN3)C1 ZINC000624667681 411696601 /nfs/dbraw/zinc/69/66/01/411696601.db2.gz ZJJMFGBXXWSTLT-ZKCHVHJHSA-N 1 2 236.275 0.464 20 0 BCADLO CN(CC(=O)N(C)CC1CC1)Cc1c[nH+]c[nH]1 ZINC000661085044 411697037 /nfs/dbraw/zinc/69/70/37/411697037.db2.gz IZHJDLCONQMFBP-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CN(CC(=O)N(C)CC1CC1)Cc1c[nH]c[nH+]1 ZINC000661085044 411697041 /nfs/dbraw/zinc/69/70/41/411697041.db2.gz IZHJDLCONQMFBP-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO C[C@H](C(=O)NC1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000661085928 411697700 /nfs/dbraw/zinc/69/77/00/411697700.db2.gz RQYNUGLCVXTNIO-MRVPVSSYSA-N 1 2 222.292 0.509 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)Cn1cccn1 ZINC000661087636 411698701 /nfs/dbraw/zinc/69/87/01/411698701.db2.gz WLOIYDLUOYYWHY-LLVKDONJSA-N 1 2 235.291 0.099 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)Cn1cccn1 ZINC000661087636 411698704 /nfs/dbraw/zinc/69/87/04/411698704.db2.gz WLOIYDLUOYYWHY-LLVKDONJSA-N 1 2 235.291 0.099 20 0 BCADLO c1cc(CNc2nc[nH+]c3c2OCCN3)co1 ZINC000647858728 411699236 /nfs/dbraw/zinc/69/92/36/411699236.db2.gz DRWMNARXRRRLOD-UHFFFAOYSA-N 1 2 232.243 1.486 20 0 BCADLO c1cc(CNc2[nH+]cnc3c2OCCN3)co1 ZINC000647858728 411699242 /nfs/dbraw/zinc/69/92/42/411699242.db2.gz DRWMNARXRRRLOD-UHFFFAOYSA-N 1 2 232.243 1.486 20 0 BCADLO CN(CC(=O)N(C)C1CC1)Cc1c[nH+]c[nH]1 ZINC000661087598 411699817 /nfs/dbraw/zinc/69/98/17/411699817.db2.gz UQJJXENRDADKLC-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CN(CC(=O)N(C)C1CC1)Cc1c[nH]c[nH+]1 ZINC000661087598 411699819 /nfs/dbraw/zinc/69/98/19/411699819.db2.gz UQJJXENRDADKLC-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO C[C@@H](c1nccc(N)n1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089553 411700022 /nfs/dbraw/zinc/70/00/22/411700022.db2.gz CEWIHGQPTXZMOU-QMMMGPOBSA-N 1 2 232.291 0.975 20 0 BCADLO C[C@@H](c1nccc(N)n1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089553 411700024 /nfs/dbraw/zinc/70/00/24/411700024.db2.gz CEWIHGQPTXZMOU-QMMMGPOBSA-N 1 2 232.291 0.975 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089480 411700802 /nfs/dbraw/zinc/70/08/02/411700802.db2.gz ALXCEFUJQFCZGG-QMMMGPOBSA-N 1 2 247.306 0.924 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089480 411700803 /nfs/dbraw/zinc/70/08/03/411700803.db2.gz ALXCEFUJQFCZGG-QMMMGPOBSA-N 1 2 247.306 0.924 20 0 BCADLO c1ccc(CNc2nc[nH+]c3c2OCCN3)nc1 ZINC000647844910 411703122 /nfs/dbraw/zinc/70/31/22/411703122.db2.gz BYHAKRWIJRZRBP-UHFFFAOYSA-N 1 2 243.270 1.288 20 0 BCADLO c1ccc(CNc2[nH+]cnc3c2OCCN3)nc1 ZINC000647844910 411703124 /nfs/dbraw/zinc/70/31/24/411703124.db2.gz BYHAKRWIJRZRBP-UHFFFAOYSA-N 1 2 243.270 1.288 20 0 BCADLO CC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000336769375 411732876 /nfs/dbraw/zinc/73/28/76/411732876.db2.gz UXAPRQXEFSGYQA-SECBINFHSA-N 1 2 207.277 1.537 20 0 BCADLO CC[C@@H](O)CCCNc1cc(CO)cc[nH+]1 ZINC000641392766 411732940 /nfs/dbraw/zinc/73/29/40/411732940.db2.gz GKKQFVUVZBNINU-LLVKDONJSA-N 1 2 224.304 1.537 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1(O)CCC1 ZINC000565962449 411734215 /nfs/dbraw/zinc/73/42/15/411734215.db2.gz SZKVVDHDCKQUSM-UHFFFAOYSA-N 1 2 207.277 1.420 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1cn[nH]c1 ZINC000570940921 411736041 /nfs/dbraw/zinc/73/60/41/411736041.db2.gz AQEMDMXVVOIMKF-UHFFFAOYSA-N 1 2 217.276 1.471 20 0 BCADLO Cc1cncc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000336743913 411737438 /nfs/dbraw/zinc/73/74/38/411737438.db2.gz PQHPREKQIWPCRL-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BCADLO Cc1cncnc1NC[C@@H]1COCC[N@H+]1C ZINC000630092042 411742640 /nfs/dbraw/zinc/74/26/40/411742640.db2.gz BGHFIVJVQGTIFZ-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncnc1NC[C@@H]1COCC[N@@H+]1C ZINC000630092042 411742645 /nfs/dbraw/zinc/74/26/45/411742645.db2.gz BGHFIVJVQGTIFZ-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncnc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000641331355 411743158 /nfs/dbraw/zinc/74/31/58/411743158.db2.gz ZQIFJAQQFWCXIB-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncnc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000641331355 411743164 /nfs/dbraw/zinc/74/31/64/411743164.db2.gz ZQIFJAQQFWCXIB-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO COc1cccc(NCc2c[nH+]cn2C)n1 ZINC000388384444 411744957 /nfs/dbraw/zinc/74/49/57/411744957.db2.gz YXKHYBQWOWEQID-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BCADLO CC[C@H](C)[C@H](O)CNc1nc[nH+]c(N)c1OC ZINC000571179185 411747297 /nfs/dbraw/zinc/74/72/97/411747297.db2.gz WVRMINVHCHGZDA-JGVFFNPUSA-N 1 2 240.307 0.886 20 0 BCADLO CC[C@H](C)[C@H](O)CNc1[nH+]cnc(N)c1OC ZINC000571179185 411747302 /nfs/dbraw/zinc/74/73/02/411747302.db2.gz WVRMINVHCHGZDA-JGVFFNPUSA-N 1 2 240.307 0.886 20 0 BCADLO CC[C@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000390275308 411747869 /nfs/dbraw/zinc/74/78/69/411747869.db2.gz SVKXAENGCSWPHB-SSDOTTSWSA-N 1 2 226.280 0.904 20 0 BCADLO CC[C@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000390275308 411747873 /nfs/dbraw/zinc/74/78/73/411747873.db2.gz SVKXAENGCSWPHB-SSDOTTSWSA-N 1 2 226.280 0.904 20 0 BCADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(=O)NC ZINC000450947227 411752959 /nfs/dbraw/zinc/75/29/59/411752959.db2.gz YGSOGTAUEMYULU-VIFPVBQESA-N 1 2 234.303 1.291 20 0 BCADLO COc1cc[nH+]cc1CNc1cnccn1 ZINC000336676243 411763941 /nfs/dbraw/zinc/76/39/41/411763941.db2.gz LLRUITHVCCDEBW-UHFFFAOYSA-N 1 2 216.244 1.492 20 0 BCADLO Cc1nc(N(C)C)nc(NCC(C)(F)F)[nH+]1 ZINC000382046946 411764199 /nfs/dbraw/zinc/76/41/99/411764199.db2.gz ZSNIIEWPCUOULM-UHFFFAOYSA-N 1 2 231.250 1.313 20 0 BCADLO Cc1nc(NCC(C)(F)F)nc(N(C)C)[nH+]1 ZINC000382046946 411764201 /nfs/dbraw/zinc/76/42/01/411764201.db2.gz ZSNIIEWPCUOULM-UHFFFAOYSA-N 1 2 231.250 1.313 20 0 BCADLO Cc1nc(N(C)C)nc(NC2CC(C)C2)[nH+]1 ZINC000336778783 411764471 /nfs/dbraw/zinc/76/44/71/411764471.db2.gz MIJKSNVNDSDTBT-UHFFFAOYSA-N 1 2 221.308 1.456 20 0 BCADLO Cc1nc(NC2CC(C)C2)nc(N(C)C)[nH+]1 ZINC000336778783 411764474 /nfs/dbraw/zinc/76/44/74/411764474.db2.gz MIJKSNVNDSDTBT-UHFFFAOYSA-N 1 2 221.308 1.456 20 0 BCADLO Cc1nc(N(C)C)nc(NCCCCCO)[nH+]1 ZINC000447806291 411766752 /nfs/dbraw/zinc/76/67/52/411766752.db2.gz MVZSSVAXTBJUGG-UHFFFAOYSA-N 1 2 239.323 0.821 20 0 BCADLO Cc1nc(NCCCCCO)nc(N(C)C)[nH+]1 ZINC000447806291 411766754 /nfs/dbraw/zinc/76/67/54/411766754.db2.gz MVZSSVAXTBJUGG-UHFFFAOYSA-N 1 2 239.323 0.821 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@@H](F)C2)[nH+]1 ZINC000340870591 411768036 /nfs/dbraw/zinc/76/80/36/411768036.db2.gz GHSAUVOQSSKGFX-RKDXNWHRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@@H]2CC[C@@H](F)C2)nc(N(C)C)[nH+]1 ZINC000340870591 411768041 /nfs/dbraw/zinc/76/80/41/411768041.db2.gz GHSAUVOQSSKGFX-RKDXNWHRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000624666743 411768051 /nfs/dbraw/zinc/76/80/51/411768051.db2.gz OYOZGDSJOQDMBZ-KYZUINATSA-N 1 2 237.307 0.429 20 0 BCADLO Cc1nc(NC[C@H]2C[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000624666743 411768056 /nfs/dbraw/zinc/76/80/56/411768056.db2.gz OYOZGDSJOQDMBZ-KYZUINATSA-N 1 2 237.307 0.429 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2C[C@H]2C)[nH+]1 ZINC000336753798 411768113 /nfs/dbraw/zinc/76/81/13/411768113.db2.gz WRWDOJJHTRJYAL-VXNVDRBHSA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(NC[C@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000336753798 411768116 /nfs/dbraw/zinc/76/81/16/411768116.db2.gz WRWDOJJHTRJYAL-VXNVDRBHSA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CC23CC3)[nH+]1 ZINC000574034561 411768181 /nfs/dbraw/zinc/76/81/81/411768181.db2.gz VWGBZENYHNTBAI-QMMMGPOBSA-N 1 2 219.292 1.210 20 0 BCADLO Cc1nc(N[C@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000574034561 411768185 /nfs/dbraw/zinc/76/81/85/411768185.db2.gz VWGBZENYHNTBAI-QMMMGPOBSA-N 1 2 219.292 1.210 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000570341025 411768235 /nfs/dbraw/zinc/76/82/35/411768235.db2.gz QVMKBVIVTBQEBQ-ILWJIGKKSA-N 1 2 233.319 1.456 20 0 BCADLO Cc1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000570341025 411768237 /nfs/dbraw/zinc/76/82/37/411768237.db2.gz QVMKBVIVTBQEBQ-ILWJIGKKSA-N 1 2 233.319 1.456 20 0 BCADLO CC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)COC1 ZINC000661400060 411768525 /nfs/dbraw/zinc/76/85/25/411768525.db2.gz MITPIYWDOPHGAC-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO CC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)COC1 ZINC000661400060 411768528 /nfs/dbraw/zinc/76/85/28/411768528.db2.gz MITPIYWDOPHGAC-MRVPVSSYSA-N 1 2 221.247 0.725 20 0 BCADLO CCc1cc(NC[C@@H](O)[C@H]2CCCO2)nc[nH+]1 ZINC000624513567 411768472 /nfs/dbraw/zinc/76/84/72/411768472.db2.gz BPFAGNLLOUUXMW-GHMZBOCLSA-N 1 2 237.303 0.991 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CCO[C@H]2C)[nH+]1 ZINC000408028413 411769624 /nfs/dbraw/zinc/76/96/24/411769624.db2.gz DGDPTJSBNYOVSE-IONNQARKSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@@H]2CCO[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408028413 411769628 /nfs/dbraw/zinc/76/96/28/411769628.db2.gz DGDPTJSBNYOVSE-IONNQARKSA-N 1 2 237.307 0.835 20 0 BCADLO COc1cncc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000521060412 411770238 /nfs/dbraw/zinc/77/02/38/411770238.db2.gz NDSZKVUAENQKQF-UHFFFAOYSA-N 1 2 247.258 0.780 20 0 BCADLO Nc1n[nH]c(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000663920060 411776027 /nfs/dbraw/zinc/77/60/27/411776027.db2.gz LIRCLYHOYAWQDW-UHFFFAOYSA-N 1 2 245.290 0.709 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000661440118 411776386 /nfs/dbraw/zinc/77/63/86/411776386.db2.gz FZNWSLOAQOYJDI-JQWIXIFHSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000661440118 411776388 /nfs/dbraw/zinc/77/63/88/411776388.db2.gz FZNWSLOAQOYJDI-JQWIXIFHSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000661440119 411776695 /nfs/dbraw/zinc/77/66/95/411776695.db2.gz FZNWSLOAQOYJDI-PWSUYJOCSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000661440119 411776699 /nfs/dbraw/zinc/77/66/99/411776699.db2.gz FZNWSLOAQOYJDI-PWSUYJOCSA-N 1 2 238.335 0.830 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@H]2COCCO2)[nH+]1 ZINC000433773005 411777034 /nfs/dbraw/zinc/77/70/34/411777034.db2.gz CYPSPTFRJBYHLT-VIFPVBQESA-N 1 2 248.286 1.094 20 0 BCADLO c1[nH+]cn2c1CN(c1nc3ccccn3n1)CC2 ZINC000663921107 411777077 /nfs/dbraw/zinc/77/70/77/411777077.db2.gz LYEXBBLXHKETBN-UHFFFAOYSA-N 1 2 240.270 0.946 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@]2(O)CCOC2)[nH+]1 ZINC000339056148 411777235 /nfs/dbraw/zinc/77/72/35/411777235.db2.gz JGKODTFKHAFESG-LBPRGKRZSA-N 1 2 248.286 0.830 20 0 BCADLO Cc1nc2[nH]ccc2c(NCC(=O)NC2CC2)[nH+]1 ZINC000433795993 411777863 /nfs/dbraw/zinc/77/78/63/411777863.db2.gz HRCZHVAAHGFXMW-UHFFFAOYSA-N 1 2 245.286 0.957 20 0 BCADLO Cc1nc(NCc2nnc3ccccn32)cc[nH+]1 ZINC000360254236 411786832 /nfs/dbraw/zinc/78/68/32/411786832.db2.gz WINVDNJXNZYGMQ-UHFFFAOYSA-N 1 2 240.270 1.440 20 0 BCADLO Cc1nc(NCc2nc(CO)cs2)cc[nH+]1 ZINC000336717990 411787874 /nfs/dbraw/zinc/78/78/74/411787874.db2.gz XFSNZEPZEPMFKV-UHFFFAOYSA-N 1 2 236.300 1.346 20 0 BCADLO Cc1cn(C)nc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000640372519 411724436 /nfs/dbraw/zinc/72/44/36/411724436.db2.gz IPJADXJFUIMMQJ-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000664132168 411863932 /nfs/dbraw/zinc/86/39/32/411863932.db2.gz ALRIIMCPXNOTSQ-VIFPVBQESA-N 1 2 247.302 0.599 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000664132168 411863937 /nfs/dbraw/zinc/86/39/37/411863937.db2.gz ALRIIMCPXNOTSQ-VIFPVBQESA-N 1 2 247.302 0.599 20 0 BCADLO CCc1cc(N[C@H]2CCNC2=O)nc[nH+]1 ZINC000664132514 411864580 /nfs/dbraw/zinc/86/45/80/411864580.db2.gz JYMQKMVUOBIRCW-QMMMGPOBSA-N 1 2 206.249 0.339 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCOCC2(C)C)o1 ZINC000342060915 411796211 /nfs/dbraw/zinc/79/62/11/411796211.db2.gz KWCDEOKFUHRHSI-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCOCC2(C)C)o1 ZINC000342060915 411796217 /nfs/dbraw/zinc/79/62/17/411796217.db2.gz KWCDEOKFUHRHSI-UHFFFAOYSA-N 1 2 240.307 0.901 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC12COC2 ZINC000663973659 411796521 /nfs/dbraw/zinc/79/65/21/411796521.db2.gz CUYSLBAACPXRPL-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H](C)C1=O ZINC000661547009 411799535 /nfs/dbraw/zinc/79/95/35/411799535.db2.gz QSGCGSRHABHHCU-OPRDCNLKSA-N 1 2 224.304 0.422 20 0 BCADLO Cc1nnc(NCc2c[nH+]cn2C(C)C)n1C ZINC000424716720 411800202 /nfs/dbraw/zinc/80/02/02/411800202.db2.gz HOFGHOFKLHFOIZ-UHFFFAOYSA-N 1 2 234.307 1.513 20 0 BCADLO Cc1nc(CC[N@@H+]2CCOC[C@H]2CO)cs1 ZINC000661563122 411803027 /nfs/dbraw/zinc/80/30/27/411803027.db2.gz VTKXIJOOVFBRFP-LLVKDONJSA-N 1 2 242.344 0.687 20 0 BCADLO Cc1nc(CC[N@H+]2CCOC[C@H]2CO)cs1 ZINC000661563122 411803029 /nfs/dbraw/zinc/80/30/29/411803029.db2.gz VTKXIJOOVFBRFP-LLVKDONJSA-N 1 2 242.344 0.687 20 0 BCADLO CCn1cc[nH+]c1CNc1cc(C#N)cnn1 ZINC000396979909 411813561 /nfs/dbraw/zinc/81/35/61/411813561.db2.gz ISXMPSCVYLRQFS-UHFFFAOYSA-N 1 2 228.259 1.177 20 0 BCADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661613268 411815362 /nfs/dbraw/zinc/81/53/62/411815362.db2.gz HSYIFHUXXBJRDT-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661613268 411815365 /nfs/dbraw/zinc/81/53/65/411815365.db2.gz HSYIFHUXXBJRDT-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO C[N@@H+](Cc1ncccn1)C[C@@H]1COCCO1 ZINC000661611566 411816165 /nfs/dbraw/zinc/81/61/65/411816165.db2.gz KWKCKWMMTSWXMM-SNVBAGLBSA-N 1 2 223.276 0.324 20 0 BCADLO C[N@H+](Cc1ncccn1)C[C@@H]1COCCO1 ZINC000661611566 411816168 /nfs/dbraw/zinc/81/61/68/411816168.db2.gz KWKCKWMMTSWXMM-SNVBAGLBSA-N 1 2 223.276 0.324 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H]2COCCO2)co1 ZINC000661613312 411816444 /nfs/dbraw/zinc/81/64/44/411816444.db2.gz IMGUNQWGOUDLKK-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H]2COCCO2)co1 ZINC000661613312 411816448 /nfs/dbraw/zinc/81/64/48/411816448.db2.gz IMGUNQWGOUDLKK-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO C[C@@H](CNc1cccnn1)Cn1cc[nH+]c1 ZINC000390294549 411819339 /nfs/dbraw/zinc/81/93/39/411819339.db2.gz AFCHIBYNOCFORU-JTQLQIEISA-N 1 2 217.276 1.421 20 0 BCADLO CCn1ncnc1CNc1nc(C)[nH+]cc1C ZINC000571343519 411824077 /nfs/dbraw/zinc/82/40/77/411824077.db2.gz BFFLLOSYQNFDQL-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BCADLO CCc1nnc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)[nH]1 ZINC000661628416 411824145 /nfs/dbraw/zinc/82/41/45/411824145.db2.gz TXBRUSOXPLWGKK-RKDXNWHRSA-N 1 2 238.335 0.816 20 0 BCADLO CCn1ncnc1CNc1cc[nH+]c(C)n1 ZINC000336724850 411824520 /nfs/dbraw/zinc/82/45/20/411824520.db2.gz BKZCLANGCMQPND-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661632744 411826375 /nfs/dbraw/zinc/82/63/75/411826375.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661632744 411826379 /nfs/dbraw/zinc/82/63/79/411826379.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661632744 411826384 /nfs/dbraw/zinc/82/63/84/411826384.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661632744 411826386 /nfs/dbraw/zinc/82/63/86/411826386.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661632744 411826389 /nfs/dbraw/zinc/82/63/89/411826389.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661632744 411826393 /nfs/dbraw/zinc/82/63/93/411826393.db2.gz SIVILTMZLFWIGP-NSHDSACASA-N 1 2 222.292 0.542 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC1=CCCOC1 ZINC000661654846 411831429 /nfs/dbraw/zinc/83/14/29/411831429.db2.gz NPXLFGJJIOXTTR-SECBINFHSA-N 1 2 237.307 0.550 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC1=CCCOC1 ZINC000661654846 411831434 /nfs/dbraw/zinc/83/14/34/411831434.db2.gz NPXLFGJJIOXTTR-SECBINFHSA-N 1 2 237.307 0.550 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@H]1CC[S@@](=O)C1 ZINC000336431072 411834247 /nfs/dbraw/zinc/83/42/47/411834247.db2.gz JTLYBJMGAVSKFK-XYZCENFISA-N 1 2 249.339 1.506 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CC[S@](=O)C1 ZINC000336431074 411834354 /nfs/dbraw/zinc/83/43/54/411834354.db2.gz JTLYBJMGAVSKFK-VVVCHXIZSA-N 1 2 249.339 1.506 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661688324 411838072 /nfs/dbraw/zinc/83/80/72/411838072.db2.gz ZZZMPSWGPVVZGN-IUCAKERBSA-N 1 2 240.307 0.815 20 0 BCADLO Cn1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000345616974 411839360 /nfs/dbraw/zinc/83/93/60/411839360.db2.gz XWIIPAATAQMLOG-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BCADLO Cn1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000345616974 411839365 /nfs/dbraw/zinc/83/93/65/411839365.db2.gz XWIIPAATAQMLOG-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BCADLO CC(C)N(CCc1c[nH+]cn1C)S(C)(=O)=O ZINC000664073380 411840041 /nfs/dbraw/zinc/84/00/41/411840041.db2.gz FWRJKXCJXNTSOU-UHFFFAOYSA-N 1 2 245.348 0.633 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000567974736 411844619 /nfs/dbraw/zinc/84/46/19/411844619.db2.gz GQLGYPOLUFDERG-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000438565945 411845757 /nfs/dbraw/zinc/84/57/57/411845757.db2.gz FPPUTNSMGDDMBV-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO CO[C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661699317 411846057 /nfs/dbraw/zinc/84/60/57/411846057.db2.gz JSLHCIPKSYKORM-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO CO[C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661699317 411846060 /nfs/dbraw/zinc/84/60/60/411846060.db2.gz JSLHCIPKSYKORM-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@H+](CCc1cnn[nH]1)C2 ZINC000661708573 411851166 /nfs/dbraw/zinc/85/11/66/411851166.db2.gz NRVLEBRZAVXRMU-GXSJLCMTSA-N 1 2 222.292 0.316 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@@H+](CCc1cnn[nH]1)C2 ZINC000661708573 411851169 /nfs/dbraw/zinc/85/11/69/411851169.db2.gz NRVLEBRZAVXRMU-GXSJLCMTSA-N 1 2 222.292 0.316 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2nccc(N)n2)C1 ZINC000565171968 411857423 /nfs/dbraw/zinc/85/74/23/411857423.db2.gz JRPLUSIQFIWKAD-WCBMZHEXSA-N 1 2 249.318 0.330 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2nccc(N)n2)C1 ZINC000565171968 411857427 /nfs/dbraw/zinc/85/74/27/411857427.db2.gz JRPLUSIQFIWKAD-WCBMZHEXSA-N 1 2 249.318 0.330 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)co1 ZINC000661722202 411857920 /nfs/dbraw/zinc/85/79/20/411857920.db2.gz WVQGOOZBFFDJJR-GXSJLCMTSA-N 1 2 208.261 0.940 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)co1 ZINC000661722202 411857923 /nfs/dbraw/zinc/85/79/23/411857923.db2.gz WVQGOOZBFFDJJR-GXSJLCMTSA-N 1 2 208.261 0.940 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721675 411858605 /nfs/dbraw/zinc/85/86/05/411858605.db2.gz UWASVZSDZMKWJS-HOTUBEGUSA-N 1 2 236.319 0.885 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721675 411858608 /nfs/dbraw/zinc/85/86/08/411858608.db2.gz UWASVZSDZMKWJS-HOTUBEGUSA-N 1 2 236.319 0.885 20 0 BCADLO COC1(CCNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000384081750 411860187 /nfs/dbraw/zinc/86/01/87/411860187.db2.gz XSDWAAAMFRPZNP-UHFFFAOYSA-N 1 2 237.307 0.555 20 0 BCADLO COC1(CCNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000384081750 411860191 /nfs/dbraw/zinc/86/01/91/411860191.db2.gz XSDWAAAMFRPZNP-UHFFFAOYSA-N 1 2 237.307 0.555 20 0 BCADLO COCCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000556841662 411863085 /nfs/dbraw/zinc/86/30/85/411863085.db2.gz FYFAFXYJNGBKCX-UHFFFAOYSA-N 1 2 238.291 0.410 20 0 BCADLO Cc1cnn(CC[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000661743887 411863311 /nfs/dbraw/zinc/86/33/11/411863311.db2.gz OTFLCFFMGAZHAF-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO Cc1cnn(CC[N@H+](C)Cc2cn(C)nn2)c1 ZINC000661743887 411863318 /nfs/dbraw/zinc/86/33/18/411863318.db2.gz OTFLCFFMGAZHAF-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO CCOC(=O)C[N@H+](CC)Cc1ccc(N)nc1 ZINC000592431337 411863693 /nfs/dbraw/zinc/86/36/93/411863693.db2.gz TZXPMXWTOVVAEJ-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N)nc1 ZINC000592431337 411863697 /nfs/dbraw/zinc/86/36/97/411863697.db2.gz TZXPMXWTOVVAEJ-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO Nc1nc(N[C@@H]2CC[C@H]2O)[nH+]c2ccccc12 ZINC000565475881 411941845 /nfs/dbraw/zinc/94/18/45/411941845.db2.gz BRQHGTACGRFHKU-NXEZZACHSA-N 1 2 230.271 1.147 20 0 BCADLO CC[C@H](C)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379912304 411885875 /nfs/dbraw/zinc/88/58/75/411885875.db2.gz NNVKAKRVPYUBHA-BQBZGAKWSA-N 1 2 209.297 1.031 20 0 BCADLO CC[C@H](C)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379912304 411885878 /nfs/dbraw/zinc/88/58/78/411885878.db2.gz NNVKAKRVPYUBHA-BQBZGAKWSA-N 1 2 209.297 1.031 20 0 BCADLO COCCC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000664193633 411886447 /nfs/dbraw/zinc/88/64/47/411886447.db2.gz MDJNFAXCGNYMHD-UHFFFAOYSA-N 1 2 247.302 0.836 20 0 BCADLO CN1CC[N@H+](Cc2ccncc2F)CCC1=O ZINC000661805223 411886697 /nfs/dbraw/zinc/88/66/97/411886697.db2.gz DUUMJCYERPQMDI-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2ccncc2F)CCC1=O ZINC000661805223 411886701 /nfs/dbraw/zinc/88/67/01/411886701.db2.gz DUUMJCYERPQMDI-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@H+](Cc2cncs2)CCC1=O ZINC000661804457 411887275 /nfs/dbraw/zinc/88/72/75/411887275.db2.gz CQGVQXAQIZNYFX-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CN1CC[N@@H+](Cc2cncs2)CCC1=O ZINC000661804457 411887278 /nfs/dbraw/zinc/88/72/78/411887278.db2.gz CQGVQXAQIZNYFX-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CCn1ccnc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000661809546 411888807 /nfs/dbraw/zinc/88/88/07/411888807.db2.gz XHWHYQPYYVWHLU-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1ccnc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661809546 411888810 /nfs/dbraw/zinc/88/88/10/411888810.db2.gz XHWHYQPYYVWHLU-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000570719048 411891798 /nfs/dbraw/zinc/89/17/98/411891798.db2.gz HNIKHQACGZXREU-VXNVDRBHSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000570719048 411891802 /nfs/dbraw/zinc/89/18/02/411891802.db2.gz HNIKHQACGZXREU-VXNVDRBHSA-N 1 2 243.332 0.307 20 0 BCADLO CCC(O)(CC)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631394356 411895790 /nfs/dbraw/zinc/89/57/90/411895790.db2.gz PSPNKWSEOQROSQ-UHFFFAOYSA-N 1 2 239.323 0.750 20 0 BCADLO CCC(O)(CC)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631394356 411895796 /nfs/dbraw/zinc/89/57/96/411895796.db2.gz PSPNKWSEOQROSQ-UHFFFAOYSA-N 1 2 239.323 0.750 20 0 BCADLO CO[C@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000639836936 411899276 /nfs/dbraw/zinc/89/92/76/411899276.db2.gz KVIBGZIETDMAKJ-LLVKDONJSA-N 1 2 223.276 0.469 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)no1 ZINC000661842191 411899975 /nfs/dbraw/zinc/89/99/75/411899975.db2.gz SQDXQBIGBKOLNL-BDAKNGLRSA-N 1 2 223.276 0.771 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)O1 ZINC000661858791 411905776 /nfs/dbraw/zinc/90/57/76/411905776.db2.gz WFPHTBVLRCPTGN-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)O1 ZINC000661858791 411905781 /nfs/dbraw/zinc/90/57/81/411905781.db2.gz WFPHTBVLRCPTGN-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO CN(C)C(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000579710242 411906476 /nfs/dbraw/zinc/90/64/76/411906476.db2.gz HLSOBEANOIDLDL-UHFFFAOYSA-N 1 2 248.286 0.471 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)c2ncnn2C)c2[nH+]ccn21 ZINC000664274907 411909013 /nfs/dbraw/zinc/90/90/13/411909013.db2.gz FABANUXLTGNLAA-JGVFFNPUSA-N 1 2 246.274 0.447 20 0 BCADLO COCc1n[nH]c(CNc2cc[nH+]c(C)n2)n1 ZINC000664278416 411910974 /nfs/dbraw/zinc/91/09/74/411910974.db2.gz QPVQTHOBESGPKK-UHFFFAOYSA-N 1 2 234.263 0.662 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ncnn1C ZINC000664277041 411911034 /nfs/dbraw/zinc/91/10/34/411911034.db2.gz RQVQOPWGRGCYTE-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000647517878 411912997 /nfs/dbraw/zinc/91/29/97/411912997.db2.gz QOSLCUHIEQUKJD-LLVKDONJSA-N 1 2 248.330 0.764 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000647517878 411913001 /nfs/dbraw/zinc/91/30/01/411913001.db2.gz QOSLCUHIEQUKJD-LLVKDONJSA-N 1 2 248.330 0.764 20 0 BCADLO CCC[C@@H](CNc1nc(C)[nH+]c(N)n1)OCC ZINC000631383931 411913231 /nfs/dbraw/zinc/91/32/31/411913231.db2.gz NMUYHCAGUNPHFJ-VIFPVBQESA-N 1 2 239.323 0.801 20 0 BCADLO CCC[C@@H](CNc1nc(N)nc(C)[nH+]1)OCC ZINC000631383931 411913238 /nfs/dbraw/zinc/91/32/38/411913238.db2.gz NMUYHCAGUNPHFJ-VIFPVBQESA-N 1 2 239.323 0.801 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000331321083 411914592 /nfs/dbraw/zinc/91/45/92/411914592.db2.gz FCAFJFBSWGGEFA-NSHDSACASA-N 1 2 248.330 0.764 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000331321083 411914595 /nfs/dbraw/zinc/91/45/95/411914595.db2.gz FCAFJFBSWGGEFA-NSHDSACASA-N 1 2 248.330 0.764 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cn[nH]c2)c[nH+]1 ZINC000622596945 411914677 /nfs/dbraw/zinc/91/46/77/411914677.db2.gz PLQNRNAUGMXEJL-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO CCC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631185680 411915882 /nfs/dbraw/zinc/91/58/82/411915882.db2.gz GNOUVWDAHCFBMY-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CCC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631185680 411915884 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/nfs/dbraw/zinc/87/28/97/411872897.db2.gz FWNPVCHFPIRZAF-NXEZZACHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000661764543 411874176 /nfs/dbraw/zinc/87/41/76/411874176.db2.gz FWNPVCHFPIRZAF-VHSXEESVSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000661764543 411874179 /nfs/dbraw/zinc/87/41/79/411874179.db2.gz FWNPVCHFPIRZAF-VHSXEESVSA-N 1 2 242.298 0.593 20 0 BCADLO CC[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379912311 411876472 /nfs/dbraw/zinc/87/64/72/411876472.db2.gz NNVKAKRVPYUBHA-RQJHMYQMSA-N 1 2 209.297 1.031 20 0 BCADLO CC[C@@H](C)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379912311 411876478 /nfs/dbraw/zinc/87/64/78/411876478.db2.gz NNVKAKRVPYUBHA-RQJHMYQMSA-N 1 2 209.297 1.031 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000552018637 411879460 /nfs/dbraw/zinc/87/94/60/411879460.db2.gz NMPRHRRPGDMFAM-SECBINFHSA-N 1 2 238.291 0.408 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631379686 411963741 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412004663 /nfs/dbraw/zinc/00/46/63/412004663.db2.gz LZYIULFHEILQLO-PSASIEDQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)C[C@]1(C)CO ZINC000662142968 412004666 /nfs/dbraw/zinc/00/46/66/412004666.db2.gz LZYIULFHEILQLO-PSASIEDQSA-N 1 2 210.281 0.255 20 0 BCADLO Cc1nc(NCCCc2ccco2)nc(N)[nH+]1 ZINC000631371826 411945247 /nfs/dbraw/zinc/94/52/47/411945247.db2.gz DJBVFDBWLBIEFG-UHFFFAOYSA-N 1 2 233.275 0.822 20 0 BCADLO Cc1nc(N)nc(NCCCc2ccco2)[nH+]1 ZINC000631371826 411945253 /nfs/dbraw/zinc/94/52/53/411945253.db2.gz DJBVFDBWLBIEFG-UHFFFAOYSA-N 1 2 233.275 0.822 20 0 BCADLO Cc1nc(N[C@@H](C)c2cccnc2)nc(N)[nH+]1 ZINC000379966028 411946213 /nfs/dbraw/zinc/94/62/13/411946213.db2.gz LSUYKYRSBXGQQL-ZETCQYMHSA-N 1 2 230.275 0.752 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2cccnc2)[nH+]1 ZINC000379966028 411946217 /nfs/dbraw/zinc/94/62/17/411946217.db2.gz LSUYKYRSBXGQQL-ZETCQYMHSA-N 1 2 230.275 0.752 20 0 BCADLO Cn1c[nH+]c(CSc2nnc(N)n2C)c1 ZINC000641443651 411951804 /nfs/dbraw/zinc/95/18/04/411951804.db2.gz ZOUZIJGPQSXSMG-UHFFFAOYSA-N 1 2 224.293 0.423 20 0 BCADLO Cc1cc(CNC(=O)[C@H]2COC(=O)N2)cc(C)[nH+]1 ZINC000496215161 533679338 /nfs/dbraw/zinc/67/93/38/533679338.db2.gz CELVEWUEHPZXDX-SNVBAGLBSA-N 1 2 249.270 0.423 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)Cc1cn(C)nn1 ZINC000664431630 411953634 /nfs/dbraw/zinc/95/36/34/411953634.db2.gz NOGUYZIYOKGHMG-UHFFFAOYSA-N 1 2 248.290 0.559 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037979 411955066 /nfs/dbraw/zinc/95/50/66/411955066.db2.gz VEXGQMAICJQPLA-IUCAKERBSA-N 1 2 208.265 0.273 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037979 411955070 /nfs/dbraw/zinc/95/50/70/411955070.db2.gz VEXGQMAICJQPLA-IUCAKERBSA-N 1 2 208.265 0.273 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCCC1 ZINC000565549294 411955274 /nfs/dbraw/zinc/95/52/74/411955274.db2.gz QEPOICWBNHNVHH-UHFFFAOYSA-N 1 2 218.264 0.546 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CC12CC2 ZINC000569868634 411956618 /nfs/dbraw/zinc/95/66/18/411956618.db2.gz YFVSNTIKFYMNEB-SSDOTTSWSA-N 1 2 244.302 1.158 20 0 BCADLO Nc1ccc(NC(=O)[C@@]2(N)CC2(F)F)c[nH+]1 ZINC000632826422 411957574 /nfs/dbraw/zinc/95/75/74/411957574.db2.gz RHTZXOLCKMCODS-QMMMGPOBSA-N 1 2 228.202 0.339 20 0 BCADLO Nc1ccc(NC(=O)C[C@H]2CCOC2)c[nH+]1 ZINC000401258162 411958158 /nfs/dbraw/zinc/95/81/58/411958158.db2.gz CXHYUMKTISYBOF-MRVPVSSYSA-N 1 2 221.260 1.029 20 0 BCADLO Cc1nc(N2CCC=C(C)C2)nc(N)[nH+]1 ZINC000631261277 411960355 /nfs/dbraw/zinc/96/03/55/411960355.db2.gz VLTSEPPFIMATHZ-UHFFFAOYSA-N 1 2 205.265 0.919 20 0 BCADLO Cc1nc(N)nc(N2CCC=C(C)C2)[nH+]1 ZINC000631261277 411960357 /nfs/dbraw/zinc/96/03/57/411960357.db2.gz VLTSEPPFIMATHZ-UHFFFAOYSA-N 1 2 205.265 0.919 20 0 BCADLO Cc1nc(N2CC(C)(C)OC[C@@H]2C)nc(N)[nH+]1 ZINC000631243500 411961203 /nfs/dbraw/zinc/96/12/03/411961203.db2.gz AFHXPZOENYONIN-ZETCQYMHSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N)nc(N2CC(C)(C)OC[C@@H]2C)[nH+]1 ZINC000631243500 411961207 /nfs/dbraw/zinc/96/12/07/411961207.db2.gz AFHXPZOENYONIN-ZETCQYMHSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N2CCC([C@H](C)O)CC2)nc(N)[nH+]1 ZINC000379900450 411961979 /nfs/dbraw/zinc/96/19/79/411961979.db2.gz HJTSXZFCXDAQKE-ZETCQYMHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC([C@H](C)O)CC2)[nH+]1 ZINC000379900450 411961985 /nfs/dbraw/zinc/96/19/85/411961985.db2.gz HJTSXZFCXDAQKE-ZETCQYMHSA-N 1 2 237.307 0.359 20 0 BCADLO C[C@@H](NC(=O)C(=O)c1ccc[nH]1)c1[nH+]ccn1C ZINC000664455332 411962603 /nfs/dbraw/zinc/96/26/03/411962603.db2.gz YROZCXTWFCMORG-MRVPVSSYSA-N 1 2 246.270 0.808 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662231912 412032005 /nfs/dbraw/zinc/03/20/05/412032005.db2.gz UEYWVSITKUYRCG-GHMZBOCLSA-N 1 2 244.335 0.502 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662231912 412032006 /nfs/dbraw/zinc/03/20/06/412032006.db2.gz UEYWVSITKUYRCG-GHMZBOCLSA-N 1 2 244.335 0.502 20 0 BCADLO Cn1[nH]c(C[N@H+](C)CC2=CCSC2)nc1=O ZINC000662262529 412053872 /nfs/dbraw/zinc/05/38/72/412053872.db2.gz AFHOJNVFURUKCQ-UHFFFAOYSA-N 1 2 240.332 0.213 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)CC2=CCSC2)nc1=O ZINC000662262529 412053878 /nfs/dbraw/zinc/05/38/78/412053878.db2.gz AFHOJNVFURUKCQ-UHFFFAOYSA-N 1 2 240.332 0.213 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NCC[C@H](C)O ZINC000664997876 412058642 /nfs/dbraw/zinc/05/86/42/412058642.db2.gz ZHZVSNGFEDBXEW-VIFPVBQESA-N 1 2 240.307 0.473 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC000330761661 171063899 /nfs/dbraw/zinc/06/38/99/171063899.db2.gz NJAMDWDXARSVHJ-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC000330761661 171063902 /nfs/dbraw/zinc/06/39/02/171063902.db2.gz NJAMDWDXARSVHJ-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1C[N@H+](CCC(=O)OC)C[C@@H](C)[S@]1=O ZINC000352895601 171079122 /nfs/dbraw/zinc/07/91/22/171079122.db2.gz DOBZNEVDBBDTRO-XIZWVBILSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@@H+](CCC(=O)OC)C[C@@H](C)[S@]1=O ZINC000352895601 171079124 /nfs/dbraw/zinc/07/91/24/171079124.db2.gz DOBZNEVDBBDTRO-XIZWVBILSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@H+](CCOCCO)C[C@@H](C)[S@@]1=O ZINC000352877464 171081320 /nfs/dbraw/zinc/08/13/20/171081320.db2.gz QJVLHWHTLLYYHE-UVWXRNBGSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOCCO)C[C@@H](C)[S@@]1=O ZINC000352877464 171081322 /nfs/dbraw/zinc/08/13/22/171081322.db2.gz QJVLHWHTLLYYHE-UVWXRNBGSA-N 1 2 249.376 0.227 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000270427115 171098952 /nfs/dbraw/zinc/09/89/52/171098952.db2.gz ALCLYLOJPRBJRZ-SCZZXKLOSA-N 1 2 247.302 0.570 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000115577680 171105309 /nfs/dbraw/zinc/10/53/09/171105309.db2.gz UWFLUNLBGZKSER-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000115577680 171105312 /nfs/dbraw/zinc/10/53/12/171105312.db2.gz UWFLUNLBGZKSER-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000360755627 171106419 /nfs/dbraw/zinc/10/64/19/171106419.db2.gz RLFGOHVQXPGBMU-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)C(C)C ZINC000360755627 171106421 /nfs/dbraw/zinc/10/64/21/171106421.db2.gz RLFGOHVQXPGBMU-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(CC)CC ZINC000115576316 171106948 /nfs/dbraw/zinc/10/69/48/171106948.db2.gz TUNLPAHVUYCDNK-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(CC)CC ZINC000115576316 171106950 /nfs/dbraw/zinc/10/69/50/171106950.db2.gz TUNLPAHVUYCDNK-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)CC ZINC000349130540 171112858 /nfs/dbraw/zinc/11/28/58/171112858.db2.gz WYZBUIVIYKLAJU-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)CC ZINC000349130540 171112860 /nfs/dbraw/zinc/11/28/60/171112860.db2.gz WYZBUIVIYKLAJU-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)nc1 ZINC000665046586 412068767 /nfs/dbraw/zinc/06/87/67/412068767.db2.gz KMCQEHKRCMOIRB-NEPJUHHUSA-N 1 2 249.314 0.065 20 0 BCADLO CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)nc1 ZINC000665046586 412068771 /nfs/dbraw/zinc/06/87/71/412068771.db2.gz KMCQEHKRCMOIRB-NEPJUHHUSA-N 1 2 249.314 0.065 20 0 BCADLO CC[C@@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000336696339 171202823 /nfs/dbraw/zinc/20/28/23/171202823.db2.gz LGDWMNRDVKINTB-JTQLQIEISA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336696339 171202828 /nfs/dbraw/zinc/20/28/28/171202828.db2.gz LGDWMNRDVKINTB-JTQLQIEISA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC1CC1 ZINC000340883264 171204576 /nfs/dbraw/zinc/20/45/76/171204576.db2.gz MKXYVLVUTGVQGU-LBPRGKRZSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC1CC1 ZINC000340883264 171204577 /nfs/dbraw/zinc/20/45/77/171204577.db2.gz MKXYVLVUTGVQGU-LBPRGKRZSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@H](C(=O)NCCCn1cc[nH+]c1)[C@@H](C)O ZINC000357310493 171228843 /nfs/dbraw/zinc/22/88/43/171228843.db2.gz VSSKTRJCDRNSFO-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](CCO)Cc1cccnc1 ZINC000268676081 171243428 /nfs/dbraw/zinc/24/34/28/171243428.db2.gz LHMMFCPZILEKRZ-LLVKDONJSA-N 1 2 237.303 0.140 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](CCO)Cc1cccnc1 ZINC000268676081 171243429 /nfs/dbraw/zinc/24/34/29/171243429.db2.gz LHMMFCPZILEKRZ-LLVKDONJSA-N 1 2 237.303 0.140 20 0 BCADLO CC[C@H](C(N)=O)N1CCn2cc(C)[nH+]c2C1 ZINC000364680788 171244850 /nfs/dbraw/zinc/24/48/50/171244850.db2.gz BSLDUGRNYUDTQX-SECBINFHSA-N 1 2 222.292 0.271 20 0 BCADLO CCOC1(C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000665058857 412074492 /nfs/dbraw/zinc/07/44/92/412074492.db2.gz FLUSDRQWTPPINT-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000035187953 171248278 /nfs/dbraw/zinc/24/82/78/171248278.db2.gz PAMOYDRYSSOZAT-JTQLQIEISA-N 1 2 214.309 0.169 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000359097449 171253562 /nfs/dbraw/zinc/25/35/62/171253562.db2.gz YMCFJCWSQTXZNP-NWDGAFQWSA-N 1 2 241.379 0.785 20 0 BCADLO CCc1nocc1C(=O)N1CC[NH+](C)CC1 ZINC000665059594 412074871 /nfs/dbraw/zinc/07/48/71/412074871.db2.gz XAJGYMSISITVEV-UHFFFAOYSA-N 1 2 223.276 0.625 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567164 171325383 /nfs/dbraw/zinc/32/53/83/171325383.db2.gz MROPRGACBNJYRP-GUBZILKMSA-N 1 2 232.299 0.306 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567164 171325384 /nfs/dbraw/zinc/32/53/84/171325384.db2.gz MROPRGACBNJYRP-GUBZILKMSA-N 1 2 232.299 0.306 20 0 BCADLO C[C@H](O)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000665108242 412096383 /nfs/dbraw/zinc/09/63/83/412096383.db2.gz FGMXWWXYLFMFSB-VIFPVBQESA-N 1 2 240.307 0.033 20 0 BCADLO COCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665107775 412096737 /nfs/dbraw/zinc/09/67/37/412096737.db2.gz NKBJSNJZKLAYLB-NXEZZACHSA-N 1 2 237.303 0.676 20 0 BCADLO CC1(C)CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000665130559 412105752 /nfs/dbraw/zinc/10/57/52/412105752.db2.gz BDNINILRLXFLMK-NSHDSACASA-N 1 2 240.347 0.871 20 0 BCADLO Cn1ccc(NCCNc2cccc[nH+]2)n1 ZINC000567748709 412125685 /nfs/dbraw/zinc/12/56/85/412125685.db2.gz FOUNGFBNUJRMOB-UHFFFAOYSA-N 1 2 217.276 1.339 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662372686 412129418 /nfs/dbraw/zinc/12/94/18/412129418.db2.gz VUINIXQBXWOJJV-LDYMZIIASA-N 1 2 248.273 0.621 20 0 BCADLO C[C@]1(C(F)F)C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662372686 412129422 /nfs/dbraw/zinc/12/94/22/412129422.db2.gz VUINIXQBXWOJJV-LDYMZIIASA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662375305 412130240 /nfs/dbraw/zinc/13/02/40/412130240.db2.gz OJDFCZUXRPKFHZ-GMSGAONNSA-N 1 2 236.262 0.606 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662375305 412130243 /nfs/dbraw/zinc/13/02/43/412130243.db2.gz OJDFCZUXRPKFHZ-GMSGAONNSA-N 1 2 236.262 0.606 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2cccnn2)CCO1 ZINC000381288167 412134441 /nfs/dbraw/zinc/13/44/41/412134441.db2.gz CHAUFSBNZYUEIS-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2cccnn2)CCO1 ZINC000381288167 412134446 /nfs/dbraw/zinc/13/44/46/412134446.db2.gz CHAUFSBNZYUEIS-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCC(=O)N1 ZINC000413343907 412179140 /nfs/dbraw/zinc/17/91/40/412179140.db2.gz QSRGYVSUQJHBBJ-ZDUSSCGKSA-N 1 2 246.314 1.435 20 0 BCADLO C[C@H](CNc1nncs1)C[NH+]1CCOCC1 ZINC000450346026 412209492 /nfs/dbraw/zinc/20/94/92/412209492.db2.gz MKZRQPFCWJFILX-SECBINFHSA-N 1 2 242.348 0.918 20 0 BCADLO CC(=O)N1CC(Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000577413196 412150604 /nfs/dbraw/zinc/15/06/04/412150604.db2.gz UIYAFXCUEXDIAL-UHFFFAOYSA-N 1 2 234.303 1.243 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2cc(C3CC3)ncn2)C1 ZINC000641320540 412255662 /nfs/dbraw/zinc/25/56/62/412255662.db2.gz DUCLGMJBSFADCU-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2cc(C3CC3)ncn2)C1 ZINC000641320540 412255665 /nfs/dbraw/zinc/25/56/65/412255665.db2.gz DUCLGMJBSFADCU-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BCADLO C[N@@H+]1CCc2ncnc(NCC(C)(F)F)c2C1 ZINC000573147774 412257289 /nfs/dbraw/zinc/25/72/89/412257289.db2.gz NBPKTXQTCSGUAR-UHFFFAOYSA-N 1 2 242.273 1.532 20 0 BCADLO C[N@H+]1CCc2ncnc(NCC(C)(F)F)c2C1 ZINC000573147774 412257293 /nfs/dbraw/zinc/25/72/93/412257293.db2.gz NBPKTXQTCSGUAR-UHFFFAOYSA-N 1 2 242.273 1.532 20 0 BCADLO C[C@H]1C[N@H+](CCNc2cnccn2)CCO1 ZINC000390433659 412266045 /nfs/dbraw/zinc/26/60/45/412266045.db2.gz QVNYGKQMLGPGGU-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2cnccn2)CCO1 ZINC000390433659 412266050 /nfs/dbraw/zinc/26/60/50/412266050.db2.gz QVNYGKQMLGPGGU-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO CC(C)CNc1[nH+]cnc2c1OCCN2 ZINC000647845421 412281026 /nfs/dbraw/zinc/28/10/26/412281026.db2.gz HXIMCKSHZMJUCE-UHFFFAOYSA-N 1 2 208.265 1.349 20 0 BCADLO CC(C)CNc1nc[nH+]c2c1OCCN2 ZINC000647845421 412281028 /nfs/dbraw/zinc/28/10/28/412281028.db2.gz HXIMCKSHZMJUCE-UHFFFAOYSA-N 1 2 208.265 1.349 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000665276208 412219521 /nfs/dbraw/zinc/21/95/21/412219521.db2.gz CLIINESAEGAABZ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000665276208 412219523 /nfs/dbraw/zinc/21/95/23/412219523.db2.gz CLIINESAEGAABZ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCO ZINC000505749015 412250125 /nfs/dbraw/zinc/25/01/25/412250125.db2.gz BAQKAVYIFKFWAD-VIFPVBQESA-N 1 2 235.287 0.821 20 0 BCADLO O=C(CNc1cc[nH+]c(C2CC2)n1)N1CCCO1 ZINC000624324408 412318092 /nfs/dbraw/zinc/31/80/92/412318092.db2.gz KJYAGSLOHIOBLD-UHFFFAOYSA-N 1 2 248.286 0.930 20 0 BCADLO CC(C)c1nnc(NC[C@@H]2C[N@H+](C)CCO2)o1 ZINC000450283913 412323568 /nfs/dbraw/zinc/32/35/68/412323568.db2.gz BNSPKKDOYBHEHP-SECBINFHSA-N 1 2 240.307 0.936 20 0 BCADLO CC(C)c1nnc(NC[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000450283913 412323571 /nfs/dbraw/zinc/32/35/71/412323571.db2.gz BNSPKKDOYBHEHP-SECBINFHSA-N 1 2 240.307 0.936 20 0 BCADLO COC(=O)NCCNc1nc(C)[nH+]cc1C ZINC000496846477 412334129 /nfs/dbraw/zinc/33/41/29/412334129.db2.gz LROLNPCCDSXIDE-UHFFFAOYSA-N 1 2 224.264 0.861 20 0 BCADLO C[C@H](NC(=O)c1ccc(N)cn1)c1[nH+]ccn1C ZINC000662932456 412348280 /nfs/dbraw/zinc/34/82/80/412348280.db2.gz BODBZFCOSXOYJT-QMMMGPOBSA-N 1 2 245.286 0.888 20 0 BCADLO Cc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000639440134 412361511 /nfs/dbraw/zinc/36/15/11/412361511.db2.gz TVUWPSXFFZFQAU-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)c1ncn(C)n1 ZINC000361795846 171747407 /nfs/dbraw/zinc/74/74/07/171747407.db2.gz MCJYTNHYVAUHLD-UHFFFAOYSA-N 1 2 231.259 0.447 20 0 BCADLO COCCOCCCNc1cc(CO)cc[nH+]1 ZINC000641266858 412371005 /nfs/dbraw/zinc/37/10/05/412371005.db2.gz LGCYHSOMWRJNPW-UHFFFAOYSA-N 1 2 240.303 1.039 20 0 BCADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)nnc1C ZINC000352187746 412371757 /nfs/dbraw/zinc/37/17/57/412371757.db2.gz ULCLLIYYMYDBNF-UHFFFAOYSA-N 1 2 246.274 1.138 20 0 BCADLO CCN(C)c1ccc(CNc2ncn(C)n2)c[nH+]1 ZINC000431037337 412373444 /nfs/dbraw/zinc/37/34/44/412373444.db2.gz MXGYYWBEEJAXOS-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BCADLO CCN1CC(=O)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663231825 412395388 /nfs/dbraw/zinc/39/53/88/412395388.db2.gz PCPXLCHMYOSRRP-NSHDSACASA-N 1 2 220.276 0.280 20 0 BCADLO CCc1nc([C@@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000270803278 172000953 /nfs/dbraw/zinc/00/09/53/172000953.db2.gz WWLOFIWXEHLOFD-SSDOTTSWSA-N 1 2 225.296 0.106 20 0 BCADLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1COC1 ZINC000309965704 172014524 /nfs/dbraw/zinc/01/45/24/172014524.db2.gz NJEZGPULJCQTMB-VIFPVBQESA-N 1 2 222.292 0.664 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000332377601 172017223 /nfs/dbraw/zinc/01/72/23/172017223.db2.gz YCIITZNLBFTYHD-JTQLQIEISA-N 1 2 248.330 0.749 20 0 BCADLO CCc1ncc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000332377601 172017225 /nfs/dbraw/zinc/01/72/25/172017225.db2.gz YCIITZNLBFTYHD-JTQLQIEISA-N 1 2 248.330 0.749 20 0 BCADLO CCc1nnc(C[N@H+](C)CC(C)(CO)CO)o1 ZINC000305110504 172047624 /nfs/dbraw/zinc/04/76/24/172047624.db2.gz HCSVRNPUCGMMAZ-UHFFFAOYSA-N 1 2 243.307 0.055 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC(C)(CO)CO)o1 ZINC000305110504 172047626 /nfs/dbraw/zinc/04/76/26/172047626.db2.gz HCSVRNPUCGMMAZ-UHFFFAOYSA-N 1 2 243.307 0.055 20 0 BCADLO CCc1nnc(C[N@H+](C)CC2(CO)CC2)n1C ZINC000190035216 172048449 /nfs/dbraw/zinc/04/84/49/172048449.db2.gz QPIFGABUNGPMFQ-UHFFFAOYSA-N 1 2 238.335 0.582 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC2(CO)CC2)n1C ZINC000190035216 172048450 /nfs/dbraw/zinc/04/84/50/172048450.db2.gz QPIFGABUNGPMFQ-UHFFFAOYSA-N 1 2 238.335 0.582 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CC2)o1 ZINC000048065247 172048872 /nfs/dbraw/zinc/04/88/72/172048872.db2.gz QORSYBMDKWXOPC-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CC2)o1 ZINC000048065247 172048874 /nfs/dbraw/zinc/04/88/74/172048874.db2.gz QORSYBMDKWXOPC-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)o1 ZINC000351815450 172049532 /nfs/dbraw/zinc/04/95/32/172049532.db2.gz MKIWFOVPIXIXOA-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)o1 ZINC000351815450 172049534 /nfs/dbraw/zinc/04/95/34/172049534.db2.gz MKIWFOVPIXIXOA-YUMQZZPRSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)o1 ZINC000332623871 172051146 /nfs/dbraw/zinc/05/11/46/172051146.db2.gz GVACKNJFEIHOMB-DTORHVGOSA-N 1 2 241.291 0.478 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)o1 ZINC000332623871 172051149 /nfs/dbraw/zinc/05/11/49/172051149.db2.gz GVACKNJFEIHOMB-DTORHVGOSA-N 1 2 241.291 0.478 20 0 BCADLO CCc1nnsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000078723137 172070838 /nfs/dbraw/zinc/07/08/38/172070838.db2.gz NFILBAKPGNCNBS-UHFFFAOYSA-N 1 2 237.288 0.754 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000114194433 172088958 /nfs/dbraw/zinc/08/89/58/172088958.db2.gz MLFQHUIMCRSRLO-SFYZADRCSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000114194433 172088962 /nfs/dbraw/zinc/08/89/62/172088962.db2.gz MLFQHUIMCRSRLO-SFYZADRCSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000353136950 172097752 /nfs/dbraw/zinc/09/77/52/172097752.db2.gz KZVCSEDSGVMIBR-MWLCHTKSSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000353136950 172097753 /nfs/dbraw/zinc/09/77/53/172097753.db2.gz KZVCSEDSGVMIBR-MWLCHTKSSA-N 1 2 240.303 0.819 20 0 BCADLO CCn1cc(C(=O)C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000340148521 172151000 /nfs/dbraw/zinc/15/10/00/172151000.db2.gz MRUMARZDQDGHEW-UHFFFAOYSA-N 1 2 247.258 0.125 20 0 BCADLO CCn1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000358025624 172151150 /nfs/dbraw/zinc/15/11/50/172151150.db2.gz APPUVHSHUHCNSI-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000014187655 172160775 /nfs/dbraw/zinc/16/07/75/172160775.db2.gz UDUZKGQHQJGTOG-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000014187655 172160777 /nfs/dbraw/zinc/16/07/77/172160777.db2.gz UDUZKGQHQJGTOG-UHFFFAOYSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1cc(CC[N@@H+]2CCNC(=O)[C@@H]2C)cn1 ZINC000276296318 172160863 /nfs/dbraw/zinc/16/08/63/172160863.db2.gz IXDQKNXFGPGQPN-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@H+]2CCNC(=O)[C@@H]2C)cn1 ZINC000276296318 172160867 /nfs/dbraw/zinc/16/08/67/172160867.db2.gz IXDQKNXFGPGQPN-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1cc(CC[N@@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000368327439 172161177 /nfs/dbraw/zinc/16/11/77/172161177.db2.gz FYNNJTITVGTBBH-NEPJUHHUSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1cc(CC[N@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000368327439 172161179 /nfs/dbraw/zinc/16/11/79/172161179.db2.gz FYNNJTITVGTBBH-NEPJUHHUSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336604440 172165131 /nfs/dbraw/zinc/16/51/31/172165131.db2.gz IOHLQSRYIFGGBK-LBPRGKRZSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336604440 172165134 /nfs/dbraw/zinc/16/51/34/172165134.db2.gz IOHLQSRYIFGGBK-LBPRGKRZSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000091864251 172165688 /nfs/dbraw/zinc/16/56/88/172165688.db2.gz XILMOXSSOZBFBQ-LLVKDONJSA-N 1 2 249.318 0.112 20 0 BCADLO CCn1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000091864251 172165690 /nfs/dbraw/zinc/16/56/90/172165690.db2.gz XILMOXSSOZBFBQ-LLVKDONJSA-N 1 2 249.318 0.112 20 0 BCADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC000331094316 172194510 /nfs/dbraw/zinc/19/45/10/172194510.db2.gz ZBECFKJPAHPOQL-BDAKNGLRSA-N 1 2 249.322 0.838 20 0 BCADLO CCn1ccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000279131538 172214887 /nfs/dbraw/zinc/21/48/87/172214887.db2.gz BXCBDFVRNFVVSR-UHFFFAOYSA-N 1 2 248.330 0.823 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332608944 172221171 /nfs/dbraw/zinc/22/11/71/172221171.db2.gz BFWDFJMNCWUPIH-SECBINFHSA-N 1 2 237.307 0.146 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332608944 172221173 /nfs/dbraw/zinc/22/11/73/172221173.db2.gz BFWDFJMNCWUPIH-SECBINFHSA-N 1 2 237.307 0.146 20 0 BCADLO CCn1nccc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000269998881 172258063 /nfs/dbraw/zinc/25/80/63/172258063.db2.gz VVPXMLDNMFFJFB-ONEGZZNKSA-N 1 2 245.286 0.956 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000355188805 172268645 /nfs/dbraw/zinc/26/86/45/172268645.db2.gz WJWSJAYOPUQJHI-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000355188805 172268646 /nfs/dbraw/zinc/26/86/46/172268646.db2.gz WJWSJAYOPUQJHI-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000193450004 172279106 /nfs/dbraw/zinc/27/91/06/172279106.db2.gz HSTLTJSQGQEYSW-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000193450004 172279109 /nfs/dbraw/zinc/27/91/09/172279109.db2.gz HSTLTJSQGQEYSW-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+](CCO)C1CCC1 ZINC000228523053 172279526 /nfs/dbraw/zinc/27/95/26/172279526.db2.gz VGIILOAFKVYRNI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+](CCO)C1CCC1 ZINC000228523053 172279529 /nfs/dbraw/zinc/27/95/29/172279529.db2.gz VGIILOAFKVYRNI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000373276275 172279569 /nfs/dbraw/zinc/27/95/69/172279569.db2.gz BJYDBSREKKRMJW-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000373276275 172279571 /nfs/dbraw/zinc/27/95/71/172279571.db2.gz BJYDBSREKKRMJW-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncnc1CN1CCn2cc(C)[nH+]c2C1 ZINC000365844676 172281025 /nfs/dbraw/zinc/28/10/25/172281025.db2.gz HHLGEXRXNNCESQ-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1cccn1C ZINC000336772459 172282382 /nfs/dbraw/zinc/28/23/82/172282382.db2.gz VKDUBAMCODJBMV-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CCOC1 ZINC000358814770 172321526 /nfs/dbraw/zinc/32/15/26/172321526.db2.gz INRQMURBDKWHLJ-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC(O)C1 ZINC000336618904 172329019 /nfs/dbraw/zinc/32/90/19/172329019.db2.gz ZFBDHASJRFLDCX-KPPDAEKUSA-N 1 2 249.314 0.427 20 0 BCADLO CN(C)C(=O)CN(C)c1nc[nH+]c(N)c1Cl ZINC000227842577 172363384 /nfs/dbraw/zinc/36/33/84/172363384.db2.gz SMHQLVSBJPUDIM-UHFFFAOYSA-N 1 2 243.698 0.237 20 0 BCADLO CN(C)C(=O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270279865 172371593 /nfs/dbraw/zinc/37/15/93/172371593.db2.gz JAACVVIQMLMKOK-UHFFFAOYSA-N 1 2 249.318 0.799 20 0 BCADLO CN(C)C(=O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000270279865 172371597 /nfs/dbraw/zinc/37/15/97/172371597.db2.gz JAACVVIQMLMKOK-UHFFFAOYSA-N 1 2 249.318 0.799 20 0 BCADLO CN(C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336601877 172377559 /nfs/dbraw/zinc/37/75/59/172377559.db2.gz WMDCCNMPSVETEK-SECBINFHSA-N 1 2 222.292 0.891 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccno2)C1 ZINC000296804727 172382182 /nfs/dbraw/zinc/38/21/82/172382182.db2.gz RDEXMEGEWZFKNM-SECBINFHSA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000296804727 172382184 /nfs/dbraw/zinc/38/21/84/172382184.db2.gz RDEXMEGEWZFKNM-SECBINFHSA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191924011 172384786 /nfs/dbraw/zinc/38/47/86/172384786.db2.gz IDCNEIBMGCPIRI-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000191924011 172384787 /nfs/dbraw/zinc/38/47/87/172384787.db2.gz IDCNEIBMGCPIRI-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC000674814839 487624942 /nfs/dbraw/zinc/62/49/42/487624942.db2.gz YICWIYGBMQWRFL-JTQLQIEISA-N 1 2 223.276 0.112 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)C1(O)CCC1 ZINC000184655974 172583237 /nfs/dbraw/zinc/58/32/37/172583237.db2.gz LWOWLZLOXHDEAG-UHFFFAOYSA-N 1 2 249.314 0.679 20 0 BCADLO CN1CCCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000375570837 173016951 /nfs/dbraw/zinc/01/69/51/173016951.db2.gz JMRPKJCJAUDFEA-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CN1CCC[N@H+](Cc2ccc(F)nc2)CC1=O ZINC000375573780 173017142 /nfs/dbraw/zinc/01/71/42/173017142.db2.gz ZWFXNSQZRPVHCN-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CCC[N@@H+](Cc2ccc(F)nc2)CC1=O ZINC000375573780 173017144 /nfs/dbraw/zinc/01/71/44/173017144.db2.gz ZWFXNSQZRPVHCN-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC000069632013 173070933 /nfs/dbraw/zinc/07/09/33/173070933.db2.gz PBIKXFYZRQEALF-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000181823843 173071478 /nfs/dbraw/zinc/07/14/78/173071478.db2.gz XBRACFSSURIXPQ-UHFFFAOYSA-N 1 2 238.262 0.919 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC(C)(C)C)C1 ZINC000124578486 173073146 /nfs/dbraw/zinc/07/31/46/173073146.db2.gz QJFCFZWTCPSDSF-JTQLQIEISA-N 1 2 242.367 0.330 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC(C)(C)C)C1 ZINC000124578486 173073149 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ZINC000341547654 173292878 /nfs/dbraw/zinc/29/28/78/173292878.db2.gz IOWVZXHFUCGIOS-VIFPVBQESA-N 1 2 235.291 0.293 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000289894536 173294178 /nfs/dbraw/zinc/29/41/78/173294178.db2.gz MRBOGFSEWKUEJO-JGVFFNPUSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000289894536 173294179 /nfs/dbraw/zinc/29/41/79/173294179.db2.gz MRBOGFSEWKUEJO-JGVFFNPUSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000302158019 173296568 /nfs/dbraw/zinc/29/65/68/173296568.db2.gz OGIPKSYZADQEDJ-MRVPVSSYSA-N 1 2 238.291 0.119 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1nnc(C)s1)C(C)C ZINC000309664526 173296822 /nfs/dbraw/zinc/29/68/22/173296822.db2.gz SRYBOEDYDMHOCH-VIFPVBQESA-N 1 2 242.348 0.707 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1cn[nH]c1C)C(C)C ZINC000309638822 173297033 /nfs/dbraw/zinc/29/70/33/173297033.db2.gz KGJHBBJMHWCSSD-JTQLQIEISA-N 1 2 224.308 0.578 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000093361348 173297564 /nfs/dbraw/zinc/29/75/64/173297564.db2.gz ZOORSUOGAYBJEL-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000093361348 173297565 /nfs/dbraw/zinc/29/75/65/173297565.db2.gz ZOORSUOGAYBJEL-SNVBAGLBSA-N 1 2 236.319 0.676 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000270848619 173297910 /nfs/dbraw/zinc/29/79/10/173297910.db2.gz XKJZLPTZJFHMGK-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000270848619 173297911 /nfs/dbraw/zinc/29/79/11/173297911.db2.gz XKJZLPTZJFHMGK-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276419343 173298530 /nfs/dbraw/zinc/29/85/30/173298530.db2.gz WZSZZKPCKZKDOD-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000276419343 173298531 /nfs/dbraw/zinc/29/85/31/173298531.db2.gz WZSZZKPCKZKDOD-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000330466219 173298637 /nfs/dbraw/zinc/29/86/37/173298637.db2.gz HFKCVSSNBODSTJ-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(OC)c1 ZINC000330466219 173298638 /nfs/dbraw/zinc/29/86/38/173298638.db2.gz HFKCVSSNBODSTJ-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000331183293 173299958 /nfs/dbraw/zinc/29/99/58/173299958.db2.gz MIVHTCKOZFRVHS-RKDXNWHRSA-N 1 2 238.291 0.382 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2noc(C)n2)C1 ZINC000332704613 173300589 /nfs/dbraw/zinc/30/05/89/173300589.db2.gz NVVFIOYOVUQLNB-NSHDSACASA-N 1 2 238.291 0.336 20 0 BCADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332704613 173300590 /nfs/dbraw/zinc/30/05/90/173300590.db2.gz NVVFIOYOVUQLNB-NSHDSACASA-N 1 2 238.291 0.336 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000289894535 173301051 /nfs/dbraw/zinc/30/10/51/173301051.db2.gz MRBOGFSEWKUEJO-HTQZYQBOSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000289894535 173301052 /nfs/dbraw/zinc/30/10/52/173301052.db2.gz MRBOGFSEWKUEJO-HTQZYQBOSA-N 1 2 240.307 0.753 20 0 BCADLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070634363 173303703 /nfs/dbraw/zinc/30/37/03/173303703.db2.gz PUNUKDXGICRMCI-BQBZGAKWSA-N 1 2 213.306 0.928 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000292304265 173304184 /nfs/dbraw/zinc/30/41/84/173304184.db2.gz NVQRHANUZADGCE-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000292304265 173304185 /nfs/dbraw/zinc/30/41/85/173304185.db2.gz NVQRHANUZADGCE-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092100137 173307169 /nfs/dbraw/zinc/30/71/69/173307169.db2.gz ZEAZHWHGCSQXGT-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000092100137 173307170 /nfs/dbraw/zinc/30/71/70/173307170.db2.gz ZEAZHWHGCSQXGT-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000331183292 173307588 /nfs/dbraw/zinc/30/75/88/173307588.db2.gz MIVHTCKOZFRVHS-IUCAKERBSA-N 1 2 238.291 0.382 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000072379635 173308462 /nfs/dbraw/zinc/30/84/62/173308462.db2.gz LJUVZRQCKFOSRW-VIFPVBQESA-N 1 2 220.276 0.357 20 0 BCADLO CNC(=O)c1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000358462630 173310267 /nfs/dbraw/zinc/31/02/67/173310267.db2.gz SYRPPDYQUUAGBH-UHFFFAOYSA-N 1 2 234.299 0.877 20 0 BCADLO C[NH2+]C[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000237084432 173374895 /nfs/dbraw/zinc/37/48/95/173374895.db2.gz VPGBCZSGGHBTFO-ZETCQYMHSA-N 1 2 233.275 0.752 20 0 BCADLO COC(=O)[C@H]([NH2+]CCN1CCOCC1)C(C)C ZINC000035085036 173804656 /nfs/dbraw/zinc/80/46/56/173804656.db2.gz KFWQBMLMTRYWEZ-LLVKDONJSA-N 1 2 244.335 0.106 20 0 BCADLO COC1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000340893178 174015339 /nfs/dbraw/zinc/01/53/39/174015339.db2.gz DCMKNTWXEYTTER-UHFFFAOYSA-N 1 2 223.276 0.519 20 0 BCADLO COC1CC([N@H+](C)Cc2nccc(N)n2)C1 ZINC000309316100 174016875 /nfs/dbraw/zinc/01/68/75/174016875.db2.gz YSRLRVNDNDZGAR-UHFFFAOYSA-N 1 2 222.292 0.668 20 0 BCADLO COC1CC([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000309316100 174016876 /nfs/dbraw/zinc/01/68/76/174016876.db2.gz YSRLRVNDNDZGAR-UHFFFAOYSA-N 1 2 222.292 0.668 20 0 BCADLO COC1CCC([N@H+](C)Cc2nnn(C)n2)CC1 ZINC000328684132 174022812 /nfs/dbraw/zinc/02/28/12/174022812.db2.gz WPXYXNXQSGIZFA-UHFFFAOYSA-N 1 2 239.323 0.600 20 0 BCADLO COC1CCC([N@@H+](C)Cc2nnn(C)n2)CC1 ZINC000328684132 174022816 /nfs/dbraw/zinc/02/28/16/174022816.db2.gz WPXYXNXQSGIZFA-UHFFFAOYSA-N 1 2 239.323 0.600 20 0 BCADLO COC1C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000336688909 174035725 /nfs/dbraw/zinc/03/57/25/174035725.db2.gz NXKGPAAEXVMAGB-ZETCQYMHSA-N 1 2 213.199 0.630 20 0 BCADLO COC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000336554581 174034008 /nfs/dbraw/zinc/03/40/08/174034008.db2.gz GEIWNHDCPCEHFH-VIFPVBQESA-N 1 2 235.287 0.303 20 0 BCADLO COC1C[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000336713392 174035208 /nfs/dbraw/zinc/03/52/08/174035208.db2.gz PNOMYTRHKSHNGV-LLVKDONJSA-N 1 2 237.299 0.757 20 0 BCADLO COC1C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000336688900 174035738 /nfs/dbraw/zinc/03/57/38/174035738.db2.gz NXKGPAAEXVMAGB-SSDOTTSWSA-N 1 2 213.199 0.630 20 0 BCADLO COCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068569760 174052559 /nfs/dbraw/zinc/05/25/59/174052559.db2.gz DSHCQIYXIQHHOF-UHFFFAOYSA-N 1 2 233.271 0.905 20 0 BCADLO COCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377501979 174057259 /nfs/dbraw/zinc/05/72/59/174057259.db2.gz KMDPJYQTDDXOCN-VIFPVBQESA-N 1 2 223.276 0.269 20 0 BCADLO COCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330448544 174065430 /nfs/dbraw/zinc/06/54/30/174065430.db2.gz ILGYYCIFOADQNC-UHFFFAOYSA-N 1 2 225.292 0.741 20 0 BCADLO COCC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000130485181 174078869 /nfs/dbraw/zinc/07/88/69/174078869.db2.gz DXHVDEBGQNWNLK-UHFFFAOYSA-N 1 2 240.307 0.607 20 0 BCADLO COCC1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000341126450 174092620 /nfs/dbraw/zinc/09/26/20/174092620.db2.gz LGLRMZZZUPRMCF-UHFFFAOYSA-N 1 2 240.307 0.759 20 0 BCADLO COCC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000282052741 174101101 /nfs/dbraw/zinc/10/11/01/174101101.db2.gz LVJBTLGWYQNWOT-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO COCC1(O)CC[NH+](Cc2ccon2)CC1 ZINC000330492303 174110379 /nfs/dbraw/zinc/11/03/79/174110379.db2.gz QOTLTXFVQGQLIM-UHFFFAOYSA-N 1 2 226.276 0.648 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(OC)cc2)C1 ZINC000297511962 174112397 /nfs/dbraw/zinc/11/23/97/174112397.db2.gz XJYAQFLFRYEWEK-UHFFFAOYSA-N 1 2 237.299 0.888 20 0 BCADLO COCC1(O)C[NH+](Cc2cnn3ccccc23)C1 ZINC000297617308 174113888 /nfs/dbraw/zinc/11/38/88/174113888.db2.gz VOULREOOEOJXNP-UHFFFAOYSA-N 1 2 247.298 0.527 20 0 BCADLO COCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263876131 174131325 /nfs/dbraw/zinc/13/13/25/174131325.db2.gz OAEQOEGNQQSKKA-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO COCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178376770 174131395 /nfs/dbraw/zinc/13/13/95/174131395.db2.gz XSMZNOXEQRAEGJ-UHFFFAOYSA-N 1 2 233.271 0.987 20 0 BCADLO COCCC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000162052802 174149817 /nfs/dbraw/zinc/14/98/17/174149817.db2.gz VZVHPWRWWYDUAU-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO COCCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000121138178 174203495 /nfs/dbraw/zinc/20/34/95/174203495.db2.gz HRUUAVKPXZQFMT-NSHDSACASA-N 1 2 233.308 0.581 20 0 BCADLO COCCC[N@H+](C)Cc1nc(CCOC)no1 ZINC000103470262 174217988 /nfs/dbraw/zinc/21/79/88/174217988.db2.gz IFGRRDJDXWDUOM-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO COCCC[N@@H+](C)Cc1nc(CCOC)no1 ZINC000103470262 174217992 /nfs/dbraw/zinc/21/79/92/174217992.db2.gz IFGRRDJDXWDUOM-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO COCCC[N@H+](CCO)Cc1cn[nH]c1C ZINC000188935937 174223349 /nfs/dbraw/zinc/22/33/49/174223349.db2.gz OPYNDTIWDPAANE-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO COCCC[N@@H+](CCO)Cc1cn[nH]c1C ZINC000188935937 174223350 /nfs/dbraw/zinc/22/33/50/174223350.db2.gz OPYNDTIWDPAANE-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO COCCC[N@H+](CCO)Cc1cocn1 ZINC000277810881 174224984 /nfs/dbraw/zinc/22/49/84/174224984.db2.gz YFTFUWCKIOKCAK-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO COCCC[N@@H+](CCO)Cc1cocn1 ZINC000277810881 174224985 /nfs/dbraw/zinc/22/49/85/174224985.db2.gz YFTFUWCKIOKCAK-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO COCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048418325 174237843 /nfs/dbraw/zinc/23/78/43/174237843.db2.gz GBLDBTHOTWMOMK-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048418325 174237844 /nfs/dbraw/zinc/23/78/44/174237844.db2.gz GBLDBTHOTWMOMK-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049152992 174242957 /nfs/dbraw/zinc/24/29/57/174242957.db2.gz XQCJBLJQTLWQFI-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO COCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368460145 174244167 /nfs/dbraw/zinc/24/41/67/174244167.db2.gz ZOEFCRHXZLFDSY-VIFPVBQESA-N 1 2 237.303 0.982 20 0 BCADLO COCCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368460145 174244168 /nfs/dbraw/zinc/24/41/68/174244168.db2.gz ZOEFCRHXZLFDSY-VIFPVBQESA-N 1 2 237.303 0.982 20 0 BCADLO COCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000121214105 174250823 /nfs/dbraw/zinc/25/08/23/174250823.db2.gz XMXNCODFSGLQRA-JTQLQIEISA-N 1 2 219.281 0.191 20 0 BCADLO COCC[N@H+](C)CCNCc1ccnn1C ZINC000061376501 174277862 /nfs/dbraw/zinc/27/78/62/174277862.db2.gz LCNJYJDUNLLVIP-UHFFFAOYSA-N 1 2 226.324 0.088 20 0 BCADLO COCC[N@@H+](C)CCNCc1ccnn1C ZINC000061376501 174277864 /nfs/dbraw/zinc/27/78/64/174277864.db2.gz LCNJYJDUNLLVIP-UHFFFAOYSA-N 1 2 226.324 0.088 20 0 BCADLO COCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361023762 174279729 /nfs/dbraw/zinc/27/97/29/174279729.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 1 2 243.395 0.494 20 0 BCADLO COCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000109768312 174284947 /nfs/dbraw/zinc/28/49/47/174284947.db2.gz SYXJYTKSKDGZOY-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO COCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000109768312 174284949 /nfs/dbraw/zinc/28/49/49/174284949.db2.gz SYXJYTKSKDGZOY-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO COCC[N@H+](CC(=O)OC)[C@@H]1CCO[C@@H]1C ZINC000355908476 174286689 /nfs/dbraw/zinc/28/66/89/174286689.db2.gz KSYUGPQENRRCHZ-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@@H+](CC(=O)OC)[C@@H]1CCO[C@@H]1C ZINC000355908476 174286690 /nfs/dbraw/zinc/28/66/90/174286690.db2.gz KSYUGPQENRRCHZ-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@H+](CCO)Cc1cc(F)ncc1F ZINC000294877979 174292897 /nfs/dbraw/zinc/29/28/97/174292897.db2.gz QPEDIRQPEFNNOT-UHFFFAOYSA-N 1 2 246.257 0.801 20 0 BCADLO COCC[N@@H+](CCO)Cc1cc(F)ncc1F ZINC000294877979 174292901 /nfs/dbraw/zinc/29/29/01/174292901.db2.gz QPEDIRQPEFNNOT-UHFFFAOYSA-N 1 2 246.257 0.801 20 0 BCADLO COCC[N@H+](CCO)Cc1cnccc1OC ZINC000287210628 174295180 /nfs/dbraw/zinc/29/51/80/174295180.db2.gz IPNVHZNTPZYIMQ-UHFFFAOYSA-N 1 2 240.303 0.531 20 0 BCADLO COCC[N@@H+](CCO)Cc1cnccc1OC ZINC000287210628 174295182 /nfs/dbraw/zinc/29/51/82/174295182.db2.gz IPNVHZNTPZYIMQ-UHFFFAOYSA-N 1 2 240.303 0.531 20 0 BCADLO COCC[NH+](CCOC)Cc1ccn(C)n1 ZINC000270853251 174295790 /nfs/dbraw/zinc/29/57/90/174295790.db2.gz YGXYCNAGGIYDCT-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO COCC[N@H+](Cc1conc1C)[C@H](C)C(N)=O ZINC000295363176 174301418 /nfs/dbraw/zinc/30/14/18/174301418.db2.gz NWTJNIRCOYVZEV-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1conc1C)[C@H](C)C(N)=O ZINC000295363176 174301419 /nfs/dbraw/zinc/30/14/19/174301419.db2.gz NWTJNIRCOYVZEV-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375795165 174308599 /nfs/dbraw/zinc/30/85/99/174308599.db2.gz MGPDMCVFCBLIBV-VIFPVBQESA-N 1 2 240.307 0.919 20 0 BCADLO COCC[N@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375795165 174308601 /nfs/dbraw/zinc/30/86/01/174308601.db2.gz MGPDMCVFCBLIBV-VIFPVBQESA-N 1 2 240.307 0.919 20 0 BCADLO COCC[NH+]1CCN(Cc2[nH]ncc2C)CC1 ZINC000340563851 174309519 /nfs/dbraw/zinc/30/95/19/174309519.db2.gz MGCRSKJWSIGLOW-UHFFFAOYSA-N 1 2 238.335 0.482 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156187634 174311799 /nfs/dbraw/zinc/31/17/99/174311799.db2.gz OKQBBVKERVGTBT-LBPRGKRZSA-N 1 2 234.299 0.806 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156187634 174311800 /nfs/dbraw/zinc/31/18/00/174311800.db2.gz OKQBBVKERVGTBT-LBPRGKRZSA-N 1 2 234.299 0.806 20 0 BCADLO COCC[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000369223829 174316207 /nfs/dbraw/zinc/31/62/07/174316207.db2.gz CZRYZNFKCKZELT-UHFFFAOYSA-N 1 2 236.319 0.547 20 0 BCADLO COCC[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000369223829 174316208 /nfs/dbraw/zinc/31/62/08/174316208.db2.gz CZRYZNFKCKZELT-UHFFFAOYSA-N 1 2 236.319 0.547 20 0 BCADLO COCCNC(=O)CNc1cccc[nH+]1 ZINC000070793300 174321528 /nfs/dbraw/zinc/32/15/28/174321528.db2.gz MSSPAUGDEBZSHM-UHFFFAOYSA-N 1 2 209.249 0.256 20 0 BCADLO COCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363078503 174326451 /nfs/dbraw/zinc/32/64/51/174326451.db2.gz UMSDWJRGJSXWHY-SECBINFHSA-N 1 2 223.276 0.208 20 0 BCADLO COCCOC1C[NH+](Cc2ccccn2)C1 ZINC000358786502 174344154 /nfs/dbraw/zinc/34/41/54/174344154.db2.gz OTGPBPBOIALKSW-UHFFFAOYSA-N 1 2 222.288 0.929 20 0 BCADLO COCCOC1C[NH+](C[C@H](O)COC(C)C)C1 ZINC000336676770 174344771 /nfs/dbraw/zinc/34/47/71/174344771.db2.gz AOLSCRLAOFUCRB-NSHDSACASA-N 1 2 247.335 0.120 20 0 BCADLO COCCOCC(=O)N(C)Cc1[nH+]ccn1C ZINC000220009749 174345251 /nfs/dbraw/zinc/34/52/51/174345251.db2.gz MGYQKWFOWYQLSU-UHFFFAOYSA-N 1 2 241.291 0.042 20 0 BCADLO COCCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000352448589 174354501 /nfs/dbraw/zinc/35/45/01/174354501.db2.gz IHRNRLGWVISGTK-GDLVEWKHSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000352448589 174354503 /nfs/dbraw/zinc/35/45/03/174354503.db2.gz IHRNRLGWVISGTK-GDLVEWKHSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCCNc1cc[nH+]c(C)n1 ZINC000054936379 174359836 /nfs/dbraw/zinc/35/98/36/174359836.db2.gz QWEBUOWWDWPUJU-UHFFFAOYSA-N 1 2 211.265 0.860 20 0 BCADLO COCCSCC(=O)N1CC[NH+](C)CC1 ZINC000046112073 174374579 /nfs/dbraw/zinc/37/45/79/174374579.db2.gz UIVOSLUKVZIOAK-UHFFFAOYSA-N 1 2 232.349 0.140 20 0 BCADLO COCC[C@@H](COC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000336677478 174392012 /nfs/dbraw/zinc/39/20/12/174392012.db2.gz COWZXWJYAQQPHF-WDEREUQCSA-N 1 2 245.319 0.579 20 0 BCADLO CO[C@@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000277772692 174707098 /nfs/dbraw/zinc/70/70/98/174707098.db2.gz DWICRQNSBOILJA-LURJTMIESA-N 1 2 236.279 0.392 20 0 BCADLO CO[C@H](C)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377595779 174825956 /nfs/dbraw/zinc/82/59/56/174825956.db2.gz VFZIOMUBSVUOID-MRVPVSSYSA-N 1 2 240.307 0.725 20 0 BCADLO CO[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000189382823 174831645 /nfs/dbraw/zinc/83/16/45/174831645.db2.gz YTFIWSVBODLYLU-SECBINFHSA-N 1 2 226.280 0.217 20 0 BCADLO C[C@H](Nc1nccn(C)c1=O)c1[nH+]ccn1C ZINC000680672148 487629323 /nfs/dbraw/zinc/62/93/23/487629323.db2.gz UGBOYSNTUVMTLM-QMMMGPOBSA-N 1 2 233.275 0.687 20 0 BCADLO COc1ccc(C(=O)NCCn2cc[nH+]c2)nc1 ZINC000359983177 175060165 /nfs/dbraw/zinc/06/01/65/175060165.db2.gz HEWNHABARILQNA-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO COc1ccc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000264311514 175060831 /nfs/dbraw/zinc/06/08/31/175060831.db2.gz NWCFNMYOKZGBNL-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000336695694 175096401 /nfs/dbraw/zinc/09/64/01/175096401.db2.gz JMHFBAKJBXBMDY-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000336695694 175096402 /nfs/dbraw/zinc/09/64/02/175096402.db2.gz JMHFBAKJBXBMDY-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000272008155 175098892 /nfs/dbraw/zinc/09/88/92/175098892.db2.gz SSRKVQNLBPWHTN-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000272008155 175098893 /nfs/dbraw/zinc/09/88/93/175098893.db2.gz SSRKVQNLBPWHTN-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000330416810 175099576 /nfs/dbraw/zinc/09/95/76/175099576.db2.gz CGKLGFOCTPCBHG-VIFPVBQESA-N 1 2 236.275 0.985 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000330416810 175099577 /nfs/dbraw/zinc/09/95/77/175099577.db2.gz CGKLGFOCTPCBHG-VIFPVBQESA-N 1 2 236.275 0.985 20 0 BCADLO COc1ccc(CNC(=O)Cn2cc[nH+]c2)nc1 ZINC000277865933 175104146 /nfs/dbraw/zinc/10/41/46/175104146.db2.gz DIFNAULPXGEQIG-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO COc1ccc(NCc2c[nH+]cn2C)nn1 ZINC000309921350 175152424 /nfs/dbraw/zinc/15/24/24/175152424.db2.gz SEBZSFGSCWCEMU-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO COc1ccc([C@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)cc1 ZINC000271652333 175189283 /nfs/dbraw/zinc/18/92/83/175189283.db2.gz JLBYIUFXPIQKSK-QMMMGPOBSA-N 1 2 248.286 0.957 20 0 BCADLO COc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000340221963 175254405 /nfs/dbraw/zinc/25/44/05/175254405.db2.gz SGGYYIBLLAKTJU-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000340221963 175254406 /nfs/dbraw/zinc/25/44/06/175254406.db2.gz SGGYYIBLLAKTJU-SNVBAGLBSA-N 1 2 235.287 0.411 20 0 BCADLO CC(C)COCC[N@@H+]1CCOC[C@H]1CO ZINC000232669533 487630434 /nfs/dbraw/zinc/63/04/34/487630434.db2.gz BQFDVCLDGZHBLB-LLVKDONJSA-N 1 2 217.309 0.352 20 0 BCADLO CC(C)COCC[N@H+]1CCOC[C@H]1CO ZINC000232669533 487630436 /nfs/dbraw/zinc/63/04/36/487630436.db2.gz BQFDVCLDGZHBLB-LLVKDONJSA-N 1 2 217.309 0.352 20 0 BCADLO COc1ccccc1CN1C(=O)C[C@H]([NH3+])C1=O ZINC000031992721 175325799 /nfs/dbraw/zinc/32/57/99/175325799.db2.gz NHUMNCJLHYMHQG-VIFPVBQESA-N 1 2 234.255 0.281 20 0 BCADLO COc1ccnc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265647286 175358253 /nfs/dbraw/zinc/35/82/53/175358253.db2.gz MKIZLKKVFOGJHE-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccnc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265647286 175358254 /nfs/dbraw/zinc/35/82/54/175358254.db2.gz MKIZLKKVFOGJHE-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc[nH+]c(CN(C)[C@@H]2CCN(C)C2=O)c1 ZINC000265647286 175358255 /nfs/dbraw/zinc/35/82/55/175358255.db2.gz MKIZLKKVFOGJHE-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccnc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000340222935 175358646 /nfs/dbraw/zinc/35/86/46/175358646.db2.gz ZMAWNRCGTVEJMW-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccnc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000340222935 175358647 /nfs/dbraw/zinc/35/86/47/175358647.db2.gz ZMAWNRCGTVEJMW-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]c(CN(C)[C@H]2CCNC2=O)c1 ZINC000340222935 175358648 /nfs/dbraw/zinc/35/86/48/175358648.db2.gz ZMAWNRCGTVEJMW-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccnc(C[N@H+](C)CCO)c1OC ZINC000188670286 175359212 /nfs/dbraw/zinc/35/92/12/175359212.db2.gz BYDBCUVGWNDXRE-UHFFFAOYSA-N 1 2 226.276 0.523 20 0 BCADLO COc1ccnc(C[N@@H+](C)CCO)c1OC ZINC000188670286 175359213 /nfs/dbraw/zinc/35/92/13/175359213.db2.gz BYDBCUVGWNDXRE-UHFFFAOYSA-N 1 2 226.276 0.523 20 0 BCADLO COc1ccncc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000269245269 175374425 /nfs/dbraw/zinc/37/44/25/175374425.db2.gz MBTBXTLUMNZORO-QMMMGPOBSA-N 1 2 239.300 0.691 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCC(=O)N1 ZINC000270330547 175374876 /nfs/dbraw/zinc/37/48/76/175374876.db2.gz HXFCALKUEHLTTR-MRVPVSSYSA-N 1 2 249.270 0.697 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(C)(C)O ZINC000277034607 175375409 /nfs/dbraw/zinc/37/54/09/175375409.db2.gz GRHVZCVHEKNELA-UHFFFAOYSA-N 1 2 210.233 0.800 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C1(O)CCC1 ZINC000274694971 175375703 /nfs/dbraw/zinc/37/57/03/175375703.db2.gz RWHHXROAUQFZTB-UHFFFAOYSA-N 1 2 222.244 0.944 20 0 BCADLO COc1ccsc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000128400125 175378984 /nfs/dbraw/zinc/37/89/84/175378984.db2.gz BLSODVWLFYGXOZ-VIFPVBQESA-N 1 2 243.328 0.950 20 0 BCADLO COc1ccsc1C[N@H+]1CCO[C@H](CO)C1 ZINC000128400125 175378985 /nfs/dbraw/zinc/37/89/85/175378985.db2.gz BLSODVWLFYGXOZ-VIFPVBQESA-N 1 2 243.328 0.950 20 0 BCADLO COc1cncc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000276607990 175383011 /nfs/dbraw/zinc/38/30/11/175383011.db2.gz QWGAIOHRDRBOHQ-UHFFFAOYSA-N 1 2 247.258 0.112 20 0 BCADLO COc1cncc(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000290332315 175385717 /nfs/dbraw/zinc/38/57/17/175385717.db2.gz OYRUVIAJYZVXEU-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cncc(C[N@H+]2CCn3cnnc3C2)c1 ZINC000290332315 175385720 /nfs/dbraw/zinc/38/57/20/175385720.db2.gz OYRUVIAJYZVXEU-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO CS(=O)(=O)c1nccn1CCn1cc[nH+]c1 ZINC000338159405 175440560 /nfs/dbraw/zinc/44/05/60/175440560.db2.gz QRAAKZRZQSEMTI-UHFFFAOYSA-N 1 2 240.288 0.183 20 0 BCADLO C[C@@H](CO)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000282903629 175750954 /nfs/dbraw/zinc/75/09/54/175750954.db2.gz UNMVFCATDXQZKY-VIFPVBQESA-N 1 2 236.319 0.282 20 0 BCADLO C[C@@H](CO)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000282903629 175750955 /nfs/dbraw/zinc/75/09/55/175750955.db2.gz UNMVFCATDXQZKY-VIFPVBQESA-N 1 2 236.319 0.282 20 0 BCADLO C[C@@H](Oc1cccnc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000117800382 176006376 /nfs/dbraw/zinc/00/63/76/176006376.db2.gz VOQJPOAEQJYZSF-SECBINFHSA-N 1 2 246.270 0.888 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122772899 176027284 /nfs/dbraw/zinc/02/72/84/176027284.db2.gz PZRYRDXTDYCRKN-JFGNBEQYSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122772899 176027286 /nfs/dbraw/zinc/02/72/86/176027286.db2.gz PZRYRDXTDYCRKN-JFGNBEQYSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(N)=O)CC1 ZINC000359113554 176030107 /nfs/dbraw/zinc/03/01/07/176030107.db2.gz CNYOAWFLHJYHOO-JTQLQIEISA-N 1 2 234.303 0.839 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000373364394 176037447 /nfs/dbraw/zinc/03/74/47/176037447.db2.gz UIQLENKNZXXQFR-VHSXEESVSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000373364394 176037449 /nfs/dbraw/zinc/03/74/49/176037449.db2.gz UIQLENKNZXXQFR-VHSXEESVSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCO ZINC000305668900 176038178 /nfs/dbraw/zinc/03/81/78/176038178.db2.gz JCCZLKOXIONEIL-ZETCQYMHSA-N 1 2 211.265 0.932 20 0 BCADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCO ZINC000305668900 176038179 /nfs/dbraw/zinc/03/81/79/176038179.db2.gz JCCZLKOXIONEIL-ZETCQYMHSA-N 1 2 211.265 0.932 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)C1CC(O)C1 ZINC000330156099 176040996 /nfs/dbraw/zinc/04/09/96/176040996.db2.gz ONDFFNFSCKKLEB-WFRXLMHJSA-N 1 2 237.307 0.524 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)C1CC(O)C1 ZINC000330156099 176040998 /nfs/dbraw/zinc/04/09/98/176040998.db2.gz ONDFFNFSCKKLEB-WFRXLMHJSA-N 1 2 237.307 0.524 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000245913856 176045963 /nfs/dbraw/zinc/04/59/63/176045963.db2.gz PZUNTKMECCOQIV-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000245913856 176045964 /nfs/dbraw/zinc/04/59/64/176045964.db2.gz PZUNTKMECCOQIV-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccn1 ZINC000104692978 176046459 /nfs/dbraw/zinc/04/64/59/176046459.db2.gz VJVZHEZFVMKOCV-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccn1 ZINC000104692978 176046460 /nfs/dbraw/zinc/04/64/60/176046460.db2.gz VJVZHEZFVMKOCV-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCN(C)c1ccccc1 ZINC000131360271 176046560 /nfs/dbraw/zinc/04/65/60/176046560.db2.gz IFROLNBKLBVSFC-GFCCVEGCSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN(C)c1ccccc1 ZINC000131360271 176046562 /nfs/dbraw/zinc/04/65/62/176046562.db2.gz IFROLNBKLBVSFC-GFCCVEGCSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1Cc2ccccc2O1 ZINC000366181190 176046666 /nfs/dbraw/zinc/04/66/66/176046666.db2.gz XBSYBMULSIJHHL-ZYHUDNBSSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1Cc2ccccc2O1 ZINC000366181190 176046667 /nfs/dbraw/zinc/04/66/67/176046667.db2.gz XBSYBMULSIJHHL-ZYHUDNBSSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccon1 ZINC000369451567 176050240 /nfs/dbraw/zinc/05/02/40/176050240.db2.gz KHQAESNXJXATKY-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccon1 ZINC000369451567 176050241 /nfs/dbraw/zinc/05/02/41/176050241.db2.gz KHQAESNXJXATKY-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000407958529 176177504 /nfs/dbraw/zinc/17/75/04/176177504.db2.gz QWFATGXAWOUJCQ-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000407958529 176177505 /nfs/dbraw/zinc/17/75/05/176177505.db2.gz QWFATGXAWOUJCQ-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000305762013 176179421 /nfs/dbraw/zinc/17/94/21/176179421.db2.gz MJOBXVZYUSZRLE-RKDXNWHRSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C[C@H]1O ZINC000305762013 176179423 /nfs/dbraw/zinc/17/94/23/176179423.db2.gz MJOBXVZYUSZRLE-RKDXNWHRSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000369193647 176189606 /nfs/dbraw/zinc/18/96/06/176189606.db2.gz LZFKAMYDMGTCHC-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000369193647 176189607 /nfs/dbraw/zinc/18/96/07/176189607.db2.gz LZFKAMYDMGTCHC-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308412 176191474 /nfs/dbraw/zinc/19/14/74/176191474.db2.gz NZLLZLXZMXUURC-PTRXPTGYSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308412 176191475 /nfs/dbraw/zinc/19/14/75/176191475.db2.gz NZLLZLXZMXUURC-PTRXPTGYSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308410 176193418 /nfs/dbraw/zinc/19/34/18/176193418.db2.gz NZLLZLXZMXUURC-KBVBSXBZSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308410 176193420 /nfs/dbraw/zinc/19/34/20/176193420.db2.gz NZLLZLXZMXUURC-KBVBSXBZSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000377260757 176193918 /nfs/dbraw/zinc/19/39/18/176193918.db2.gz ZJOVZLLNEOQAJV-CKYFFXLPSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000276748052 176241369 /nfs/dbraw/zinc/24/13/69/176241369.db2.gz VQWVKPVJEPNZFC-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCC1=O ZINC000329368372 176246723 /nfs/dbraw/zinc/24/67/23/176246723.db2.gz HVCSSTIRFZMHQY-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C2CC2)O1 ZINC000279529487 176249619 /nfs/dbraw/zinc/24/96/19/176249619.db2.gz ADWSGVWWPPQELU-ZYHUDNBSSA-N 1 2 249.314 0.909 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000174347477 176250194 /nfs/dbraw/zinc/25/01/94/176250194.db2.gz FCKLSUNNBHSSBZ-NXEZZACHSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@H](C(=O)N1C[C@@H](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000357542966 176253682 /nfs/dbraw/zinc/25/36/82/176253682.db2.gz VMRCVSMSCHGHST-IJLUTSLNSA-N 1 2 239.363 0.489 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000357849185 176255817 /nfs/dbraw/zinc/25/58/17/176255817.db2.gz JTTJVEUXSMUJFU-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC1CC1 ZINC000336505029 176266833 /nfs/dbraw/zinc/26/68/33/176266833.db2.gz INWMXAINODTFKK-SECBINFHSA-N 1 2 232.349 0.362 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1CC1 ZINC000336505029 176266834 /nfs/dbraw/zinc/26/68/34/176266834.db2.gz INWMXAINODTFKK-SECBINFHSA-N 1 2 232.349 0.362 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1O ZINC000351816222 176284308 /nfs/dbraw/zinc/28/43/08/176284308.db2.gz YMJWKAWYQFGXIV-HTQZYQBOSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1O ZINC000351816222 176284309 /nfs/dbraw/zinc/28/43/09/176284309.db2.gz YMJWKAWYQFGXIV-HTQZYQBOSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CC(=O)N1 ZINC000336296508 176286864 /nfs/dbraw/zinc/28/68/64/176286864.db2.gz SOCWYLGDXAROIO-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CC(=O)N1 ZINC000336296508 176286865 /nfs/dbraw/zinc/28/68/65/176286865.db2.gz SOCWYLGDXAROIO-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@@](F)(CO)C2)CCO1 ZINC000338590061 176291261 /nfs/dbraw/zinc/29/12/61/176291261.db2.gz WNYHZPMFPFJTHC-NEPJUHHUSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@@](F)(CO)C2)CCO1 ZINC000338590061 176291262 /nfs/dbraw/zinc/29/12/62/176291262.db2.gz WNYHZPMFPFJTHC-NEPJUHHUSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccccn2)CC(=O)N1C ZINC000282099838 176294825 /nfs/dbraw/zinc/29/48/25/176294825.db2.gz IOPUZXYZSSODGJ-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccccn2)CC(=O)N1C ZINC000282099838 176294826 /nfs/dbraw/zinc/29/48/26/176294826.db2.gz IOPUZXYZSSODGJ-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC(=O)N1C ZINC000282451292 176297528 /nfs/dbraw/zinc/29/75/28/176297528.db2.gz ZVKNIISMDCHHSF-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC(=O)N1C ZINC000282451292 176297529 /nfs/dbraw/zinc/29/75/29/176297529.db2.gz ZVKNIISMDCHHSF-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236697 176297737 /nfs/dbraw/zinc/29/77/37/176297737.db2.gz SUYPAWQCWQYNCG-ZJUUUORDSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236697 176297739 /nfs/dbraw/zinc/29/77/39/176297739.db2.gz SUYPAWQCWQYNCG-ZJUUUORDSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000282443626 176301225 /nfs/dbraw/zinc/30/12/25/176301225.db2.gz ZMKQILSSUYJUOC-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000282443626 176301226 /nfs/dbraw/zinc/30/12/26/176301226.db2.gz ZMKQILSSUYJUOC-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC(=O)N1 ZINC000295068113 176301380 /nfs/dbraw/zinc/30/13/80/176301380.db2.gz QTILEJYAKXXMGH-MRVPVSSYSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC(=O)N1 ZINC000295068113 176301382 /nfs/dbraw/zinc/30/13/82/176301382.db2.gz QTILEJYAKXXMGH-MRVPVSSYSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC(=O)N1 ZINC000295014835 176305281 /nfs/dbraw/zinc/30/52/81/176305281.db2.gz MNWMTXJKESOLBM-SNVBAGLBSA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)CC(=O)N1C ZINC000282881209 176307535 /nfs/dbraw/zinc/30/75/35/176307535.db2.gz YODCPIXQZBVRMG-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CC(=O)N1C ZINC000282881209 176307537 /nfs/dbraw/zinc/30/75/37/176307537.db2.gz YODCPIXQZBVRMG-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC[S@]1=O ZINC000353829855 176310008 /nfs/dbraw/zinc/31/00/08/176310008.db2.gz SYCWQOYUPQHRFW-RFAUZJTJSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)S1=O ZINC000336627979 176310386 /nfs/dbraw/zinc/31/03/86/176310386.db2.gz YACJEWJAMFVUER-RKDXNWHRSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)S1=O ZINC000336627979 176310387 /nfs/dbraw/zinc/31/03/87/176310387.db2.gz YACJEWJAMFVUER-RKDXNWHRSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2CCF)CCCO1 ZINC000369070269 176313719 /nfs/dbraw/zinc/31/37/19/176313719.db2.gz HXEJKGVHUQXJMI-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2CCF)CCCO1 ZINC000369070269 176313721 /nfs/dbraw/zinc/31/37/21/176313721.db2.gz HXEJKGVHUQXJMI-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)CCS(=O)(=O)C1 ZINC000277793073 176320087 /nfs/dbraw/zinc/32/00/87/176320087.db2.gz XGZGUCXEVYQUAJ-SNVBAGLBSA-N 1 2 240.328 0.953 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000375605543 176333325 /nfs/dbraw/zinc/33/33/25/176333325.db2.gz DGSJKOUXKMATJE-VIFPVBQESA-N 1 2 240.307 0.604 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000375605543 176333328 /nfs/dbraw/zinc/33/33/28/176333328.db2.gz DGSJKOUXKMATJE-VIFPVBQESA-N 1 2 240.307 0.604 20 0 BCADLO C[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000278255902 176333922 /nfs/dbraw/zinc/33/39/22/176333922.db2.gz XQUSIYFSIZFWHF-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000369736257 176334797 /nfs/dbraw/zinc/33/47/97/176334797.db2.gz MYFPXHWGSDGFDM-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCC1 ZINC000337515022 176335434 /nfs/dbraw/zinc/33/54/34/176335434.db2.gz PGPQOSOBXWRYGJ-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCC1 ZINC000337515022 176335436 /nfs/dbraw/zinc/33/54/36/176335436.db2.gz PGPQOSOBXWRYGJ-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccncc1 ZINC000330625095 176336343 /nfs/dbraw/zinc/33/63/43/176336343.db2.gz SNGHJJSMYXZIRZ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccncc1 ZINC000330625095 176336345 /nfs/dbraw/zinc/33/63/45/176336345.db2.gz SNGHJJSMYXZIRZ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CC(O)(C2CC2)C1 ZINC000369069780 176336477 /nfs/dbraw/zinc/33/64/77/176336477.db2.gz CLHISGTVTVYODD-LLVKDONJSA-N 1 2 240.347 0.164 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CC(O)(C2CC2)C1 ZINC000369069780 176336479 /nfs/dbraw/zinc/33/64/79/176336479.db2.gz CLHISGTVTVYODD-LLVKDONJSA-N 1 2 240.347 0.164 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282743487 176343490 /nfs/dbraw/zinc/34/34/90/176343490.db2.gz JLSZNQAUHSXLQU-ONKIFHLLSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CCO1 ZINC000408119844 176357583 /nfs/dbraw/zinc/35/75/83/176357583.db2.gz QSQXUMPOSWYJOR-BDAKNGLRSA-N 1 2 236.271 0.963 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330380408 176365318 /nfs/dbraw/zinc/36/53/18/176365318.db2.gz MBZNZOQHJXUQAI-KKZNHRDASA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H](NC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000104774473 176797057 /nfs/dbraw/zinc/79/70/57/176797057.db2.gz NAAGNGYJSRSNFW-UWVGGRQHSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@H]([NH2+]CC(N)=O)c1c(F)cncc1F ZINC000285735778 176834636 /nfs/dbraw/zinc/83/46/36/176834636.db2.gz QBNRFPCGXXSLNM-YFKPBYRVSA-N 1 2 215.203 0.496 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)O ZINC000265236079 176963823 /nfs/dbraw/zinc/96/38/23/176963823.db2.gz VTDIMTDWRVSVAZ-ZJUUUORDSA-N 1 2 240.307 0.342 20 0 BCADLO C[C@H](O)C[C@H]1COCCN1Cc1c[nH+]cn1C ZINC000274273675 177002225 /nfs/dbraw/zinc/00/22/25/177002225.db2.gz BPHWPMZWTXRBQN-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](c1ccccn1)[NH+]1CCN(CC(N)=O)CC1 ZINC000139739344 177043660 /nfs/dbraw/zinc/04/36/60/177043660.db2.gz DNRJWXKZROTWKZ-LLVKDONJSA-N 1 2 248.330 0.246 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000373364395 177050869 /nfs/dbraw/zinc/05/08/69/177050869.db2.gz UIQLENKNZXXQFR-ZJUUUORDSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000373364395 177050872 /nfs/dbraw/zinc/05/08/72/177050872.db2.gz UIQLENKNZXXQFR-ZJUUUORDSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC1(O)CCC1 ZINC000332053425 177055123 /nfs/dbraw/zinc/05/51/23/177055123.db2.gz VANJGLBCQFMECX-MRVPVSSYSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC1(O)CCC1 ZINC000332053425 177055124 /nfs/dbraw/zinc/05/51/24/177055124.db2.gz VANJGLBCQFMECX-MRVPVSSYSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCc1cnccn1 ZINC000329955757 177055871 /nfs/dbraw/zinc/05/58/71/177055871.db2.gz OOAXUGOOYQVHDG-SECBINFHSA-N 1 2 247.306 0.236 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCc1cnccn1 ZINC000329955757 177055872 /nfs/dbraw/zinc/05/58/72/177055872.db2.gz OOAXUGOOYQVHDG-SECBINFHSA-N 1 2 247.306 0.236 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000285984291 177059085 /nfs/dbraw/zinc/05/90/85/177059085.db2.gz MJPYLQXMWPZDTE-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000285984291 177059086 /nfs/dbraw/zinc/05/90/86/177059086.db2.gz MJPYLQXMWPZDTE-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cncc(F)c1 ZINC000373604847 177062951 /nfs/dbraw/zinc/06/29/51/177062951.db2.gz SVBWBZGODMORPA-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cncc(F)c1 ZINC000373604847 177062952 /nfs/dbraw/zinc/06/29/52/177062952.db2.gz SVBWBZGODMORPA-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331854795 177162871 /nfs/dbraw/zinc/16/28/71/177162871.db2.gz PGEYWUKAURIXLC-VIFPVBQESA-N 1 2 232.287 0.864 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331854795 177162872 /nfs/dbraw/zinc/16/28/72/177162872.db2.gz PGEYWUKAURIXLC-VIFPVBQESA-N 1 2 232.287 0.864 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H]1CO ZINC000248987328 177172702 /nfs/dbraw/zinc/17/27/02/177172702.db2.gz WNGKLLKZHXRLBP-WPRPVWTQSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000174347465 177219111 /nfs/dbraw/zinc/21/91/11/177219111.db2.gz FCKLSUNNBHSSBZ-UWVGGRQHSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327194 177235953 /nfs/dbraw/zinc/23/59/53/177235953.db2.gz QLBBUWVTQPSTRR-WPRPVWTQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327194 177235956 /nfs/dbraw/zinc/23/59/56/177235956.db2.gz QLBBUWVTQPSTRR-WPRPVWTQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000333327194 177235957 /nfs/dbraw/zinc/23/59/57/177235957.db2.gz QLBBUWVTQPSTRR-WPRPVWTQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327193 177238215 /nfs/dbraw/zinc/23/82/15/177238215.db2.gz QLBBUWVTQPSTRR-WCBMZHEXSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327193 177238218 /nfs/dbraw/zinc/23/82/18/177238218.db2.gz QLBBUWVTQPSTRR-WCBMZHEXSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000333327193 177238219 /nfs/dbraw/zinc/23/82/19/177238219.db2.gz QLBBUWVTQPSTRR-WCBMZHEXSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)[C@@H](C)CO1 ZINC000354843915 177242530 /nfs/dbraw/zinc/24/25/30/177242530.db2.gz CLYXTHLCKJVKPG-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)[C@@H](C)CO1 ZINC000354843915 177242532 /nfs/dbraw/zinc/24/25/32/177242532.db2.gz CLYXTHLCKJVKPG-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1O ZINC000351816225 177243295 /nfs/dbraw/zinc/24/32/95/177243295.db2.gz YMJWKAWYQFGXIV-YUMQZZPRSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1O ZINC000351816225 177243297 /nfs/dbraw/zinc/24/32/97/177243297.db2.gz YMJWKAWYQFGXIV-YUMQZZPRSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000354843911 177243533 /nfs/dbraw/zinc/24/35/33/177243533.db2.gz CLYXTHLCKJVKPG-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)CC1CC1 ZINC000354843911 177243534 /nfs/dbraw/zinc/24/35/34/177243534.db2.gz CLYXTHLCKJVKPG-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(CC[N@H+](C)Cc2cc[nH]n2)CCO1 ZINC000337240095 177251355 /nfs/dbraw/zinc/25/13/55/177251355.db2.gz DYGKIDKCPCTACH-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1CN(CC[N@@H+](C)Cc2cc[nH]n2)CCO1 ZINC000337240095 177251358 /nfs/dbraw/zinc/25/13/58/177251358.db2.gz DYGKIDKCPCTACH-NSHDSACASA-N 1 2 238.335 0.562 20 0 BCADLO C[C@H]1C[N@H+](CCSc2n[nH]c(=O)[nH]2)CCO1 ZINC000331315778 177254288 /nfs/dbraw/zinc/25/42/88/177254288.db2.gz FEKYZPFUVCWMJM-ZETCQYMHSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@H]1C[N@@H+](CCSc2n[nH]c(=O)[nH]2)CCO1 ZINC000331315778 177254289 /nfs/dbraw/zinc/25/42/89/177254289.db2.gz FEKYZPFUVCWMJM-ZETCQYMHSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn(C)c2)CC(=O)N1C ZINC000282033998 177256780 /nfs/dbraw/zinc/25/67/80/177256780.db2.gz FQMYROAFVCJREF-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC(=O)N1C ZINC000282033998 177256781 /nfs/dbraw/zinc/25/67/81/177256781.db2.gz FQMYROAFVCJREF-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236695 177256976 /nfs/dbraw/zinc/25/69/76/177256976.db2.gz SUYPAWQCWQYNCG-UWVGGRQHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236695 177256977 /nfs/dbraw/zinc/25/69/77/177256977.db2.gz SUYPAWQCWQYNCG-UWVGGRQHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319899 177259202 /nfs/dbraw/zinc/25/92/02/177259202.db2.gz TYUZAMAWFIRMMX-FZMZJTMJSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319899 177259204 /nfs/dbraw/zinc/25/92/04/177259204.db2.gz TYUZAMAWFIRMMX-FZMZJTMJSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@]2(CCOC2)O1 ZINC000280389039 177261832 /nfs/dbraw/zinc/26/18/32/177261832.db2.gz WUXPNKQPCACNRX-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@]2(CCOC2)O1 ZINC000280389039 177261833 /nfs/dbraw/zinc/26/18/33/177261833.db2.gz WUXPNKQPCACNRX-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccncc2)CC(=O)N1C ZINC000282180428 177268397 /nfs/dbraw/zinc/26/83/97/177268397.db2.gz MUBPQCUFHLIVOQ-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccncc2)CC(=O)N1C ZINC000282180428 177268400 /nfs/dbraw/zinc/26/84/00/177268400.db2.gz MUBPQCUFHLIVOQ-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000127045969 177269060 /nfs/dbraw/zinc/26/90/60/177269060.db2.gz ISAJOPOSMAPHPO-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000127045969 177269062 /nfs/dbraw/zinc/26/90/62/177269062.db2.gz ISAJOPOSMAPHPO-DTORHVGOSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000271019944 177269265 /nfs/dbraw/zinc/26/92/65/177269265.db2.gz ASNJVLRYUARMCT-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000271019944 177269267 /nfs/dbraw/zinc/26/92/67/177269267.db2.gz ASNJVLRYUARMCT-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[S@@]1=O ZINC000336462158 177269312 /nfs/dbraw/zinc/26/93/12/177269312.db2.gz DHQLMMWADZEUEB-WRBXQSRGSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[S@](=O)C1 ZINC000361327655 177270053 /nfs/dbraw/zinc/27/00/53/177270053.db2.gz ZPGDJZAIFMSDKK-VFZGTOFNSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[S@](=O)C1 ZINC000361327655 177270056 /nfs/dbraw/zinc/27/00/56/177270056.db2.gz ZPGDJZAIFMSDKK-VFZGTOFNSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)S1=O ZINC000336462159 177270085 /nfs/dbraw/zinc/27/00/85/177270085.db2.gz DHQLMMWADZEUEB-UWVGGRQHSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC(=O)N1C ZINC000282013547 177270338 /nfs/dbraw/zinc/27/03/38/177270338.db2.gz DRQZCPXIULAMFW-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000116268938 177275408 /nfs/dbraw/zinc/27/54/08/177275408.db2.gz SUYUBOUOIYVPRA-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000116268938 177275409 /nfs/dbraw/zinc/27/54/09/177275409.db2.gz SUYUBOUOIYVPRA-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC1 ZINC000356223312 177291922 /nfs/dbraw/zinc/29/19/22/177291922.db2.gz KSKFJHZNEUFVAP-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC1 ZINC000356223312 177291923 /nfs/dbraw/zinc/29/19/23/177291923.db2.gz KSKFJHZNEUFVAP-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCO1 ZINC000358689022 177292493 /nfs/dbraw/zinc/29/24/93/177292493.db2.gz OLWBFKMUACFDIB-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCO1 ZINC000358689022 177292495 /nfs/dbraw/zinc/29/24/95/177292495.db2.gz OLWBFKMUACFDIB-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341833017 177293006 /nfs/dbraw/zinc/29/30/06/177293006.db2.gz CWBYHRKOFSYVMM-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341833017 177293007 /nfs/dbraw/zinc/29/30/07/177293007.db2.gz CWBYHRKOFSYVMM-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CC(N)=O ZINC000371602019 177299951 /nfs/dbraw/zinc/29/99/51/177299951.db2.gz NNGGOXMJQBYELB-CMPLNLGQSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CC(N)=O ZINC000371602019 177299953 /nfs/dbraw/zinc/29/99/53/177299953.db2.gz NNGGOXMJQBYELB-CMPLNLGQSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1Cc1[nH+]ccn1C ZINC000328671765 177302679 /nfs/dbraw/zinc/30/26/79/177302679.db2.gz NRXPYYXAJZDSJJ-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CCO1 ZINC000408119846 177307346 /nfs/dbraw/zinc/30/73/46/177307346.db2.gz QSQXUMPOSWYJOR-IUCAKERBSA-N 1 2 236.271 0.963 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1N(C)C1CC1 ZINC000367562894 177366198 /nfs/dbraw/zinc/36/61/98/177366198.db2.gz LRXUWQWCUUHYDG-AAEUAGOBSA-N 1 2 239.363 0.791 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000332715297 177373316 /nfs/dbraw/zinc/37/33/16/177373316.db2.gz PYNBULYGRWKMIE-UWVGGRQHSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ncnn1C(C)(C)C ZINC000332715297 177373317 /nfs/dbraw/zinc/37/33/17/177373317.db2.gz PYNBULYGRWKMIE-UWVGGRQHSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1OCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277331902 177397652 /nfs/dbraw/zinc/39/76/52/177397652.db2.gz VQCNFNLNJBYQDM-RKDXNWHRSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1OCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277331892 177397671 /nfs/dbraw/zinc/39/76/71/177397671.db2.gz VQCNFNLNJBYQDM-BDAKNGLRSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1OCCN2[C@H](c3c[nH]c[nH+]3)NC(=O)[C@H]12 ZINC000329018700 177399007 /nfs/dbraw/zinc/39/90/07/177399007.db2.gz RRDUDIXWXYUGPJ-BWVDBABLSA-N 1 2 222.248 0.468 20 0 BCADLO C[C@H](C(=O)N1C[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000357561202 177429253 /nfs/dbraw/zinc/42/92/53/177429253.db2.gz WMMSYPKIYMCHOC-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@](O)(C[NH2+]Cc1csnn1)C(F)(F)F ZINC000271867129 177450210 /nfs/dbraw/zinc/45/02/10/177450210.db2.gz WKMKVNCCWIPTMM-LURJTMIESA-N 1 2 241.238 0.941 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000487286728 225295114 /nfs/dbraw/zinc/29/51/14/225295114.db2.gz ZNKJUTFGDVUEMW-UHFFFAOYSA-N 1 2 244.254 0.491 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1C[C@@H]1C1CC1 ZINC000485290827 225253472 /nfs/dbraw/zinc/25/34/72/225253472.db2.gz VVYNCQQAXPBHPX-XQQFMLRXSA-N 1 2 249.358 0.149 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncnn1CC(F)F ZINC000488099211 225348425 /nfs/dbraw/zinc/34/84/25/225348425.db2.gz DFCNUJKDUZFMIN-JGVFFNPUSA-N 1 2 246.261 0.498 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncnn1CC(F)F ZINC000488099211 225348429 /nfs/dbraw/zinc/34/84/29/225348429.db2.gz DFCNUJKDUZFMIN-JGVFFNPUSA-N 1 2 246.261 0.498 20 0 BCADLO COC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492758851 226046430 /nfs/dbraw/zinc/04/64/30/226046430.db2.gz BCHNUBPYVQEJRD-DOGVGXBMSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(C=Cc1c[nH]cn1)NCCc1[nH]cc[nH+]1 ZINC000492775554 226051134 /nfs/dbraw/zinc/05/11/34/226051134.db2.gz YCNOOXOYSOLTHS-UPHRSURJSA-N 1 2 231.259 0.505 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC000492808158 226056815 /nfs/dbraw/zinc/05/68/15/226056815.db2.gz CJVCLZJOKOJPNW-PULIVWKDSA-N 1 2 236.275 0.016 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)N1CCCC1 ZINC000492810143 226057863 /nfs/dbraw/zinc/05/78/63/226057863.db2.gz HNEJMPDDCBQXRX-ARJAWSKDSA-N 1 2 248.286 0.162 20 0 BCADLO COC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492811050 226058614 /nfs/dbraw/zinc/05/86/14/226058614.db2.gz JRYFBKIBECOOJK-IHWYPQMZSA-N 1 2 207.233 0.280 20 0 BCADLO COCCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492830715 226062272 /nfs/dbraw/zinc/06/22/72/226062272.db2.gz AFOWVHRMSPPOMK-ARJAWSKDSA-N 1 2 225.248 0.507 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492840215 226064809 /nfs/dbraw/zinc/06/48/09/226064809.db2.gz MTRMFGLFQDXJSL-WBSSQXGSSA-N 1 2 223.276 0.916 20 0 BCADLO CCn1ncnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902954 226079744 /nfs/dbraw/zinc/07/97/44/226079744.db2.gz SIKPCUHJQVVIAQ-ARJAWSKDSA-N 1 2 246.274 0.351 20 0 BCADLO C[C@@]1(O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493302226 226180060 /nfs/dbraw/zinc/18/00/60/226180060.db2.gz KZKDZGJZTSGGSG-KXMPLOMGSA-N 1 2 221.260 0.406 20 0 BCADLO C[C@@H]1COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493321049 226185399 /nfs/dbraw/zinc/18/53/99/226185399.db2.gz LSFBLWUYUWGBFN-PKRMOACSSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(CO)CCCC1 ZINC000493349381 226192986 /nfs/dbraw/zinc/19/29/86/226192986.db2.gz HGCNMXMYPRZMCQ-ARJAWSKDSA-N 1 2 235.287 0.844 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@@H](CF)C1 ZINC000493242821 226163935 /nfs/dbraw/zinc/16/39/35/226163935.db2.gz VVJYPHHUVBVSJU-IYABHPQVSA-N 1 2 239.250 0.620 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOCC(F)F ZINC000493247953 226165451 /nfs/dbraw/zinc/16/54/51/226165451.db2.gz FAYRHBBPEOEAHT-OWOJBTEDSA-N 1 2 245.229 0.821 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(CCO)CC1 ZINC000493382245 226201349 /nfs/dbraw/zinc/20/13/49/226201349.db2.gz IEHBGUZXYYDVGR-UPHRSURJSA-N 1 2 221.260 0.454 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(=O)N1CCCC1 ZINC000493401005 226206463 /nfs/dbraw/zinc/20/64/63/226206463.db2.gz KMKSGOBDPRNOJE-ONEGZZNKSA-N 1 2 248.286 0.162 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCOC1 ZINC000493433948 226215343 /nfs/dbraw/zinc/21/53/43/226215343.db2.gz PHVWEPNCLYEZKQ-FSIBCCDJSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@H](O)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493585339 226244654 /nfs/dbraw/zinc/24/46/54/226244654.db2.gz HZFIBFUFKUNUBA-YLBDSCSXSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H](O)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493585334 226244721 /nfs/dbraw/zinc/24/47/21/226244721.db2.gz HZFIBFUFKUNUBA-ADLDAWLNSA-N 1 2 235.287 0.652 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](O)C(F)F ZINC000493655960 226247907 /nfs/dbraw/zinc/24/79/07/226247907.db2.gz PTBCCTHCBNCHNK-IPWVHJGXSA-N 1 2 231.202 0.165 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C=C[C@H](CO)C1 ZINC000493673543 226248624 /nfs/dbraw/zinc/24/86/24/226248624.db2.gz LWOUJFJDLXDDAY-FCVPOFOPSA-N 1 2 233.271 0.476 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC1CC(O)C1 ZINC000493694058 226249615 /nfs/dbraw/zinc/24/96/15/226249615.db2.gz NZUJIJDIVSMKHF-OWOJBTEDSA-N 1 2 235.287 0.700 20 0 BCADLO C[C@@H]1C(=O)NCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493707507 226250282 /nfs/dbraw/zinc/25/02/82/226250282.db2.gz OQSXPMHTPPKYHI-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO Cc1nc(CNC(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000493728802 226251533 /nfs/dbraw/zinc/25/15/33/226251533.db2.gz SJKNCOFRJIENPM-IHWYPQMZSA-N 1 2 233.231 0.431 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(O)CCCC1 ZINC000493743021 226251825 /nfs/dbraw/zinc/25/18/25/226251825.db2.gz UVAUODCITPUMOK-ONEGZZNKSA-N 1 2 235.287 0.844 20 0 BCADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000493742767 226251915 /nfs/dbraw/zinc/25/19/15/226251915.db2.gz AXXCVMKIFKYROY-MDCNRGEUSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C/c1ncc[nH]1)NCCCn1cc[nH+]c1 ZINC000493738365 226251970 /nfs/dbraw/zinc/25/19/70/226251970.db2.gz IYKKNAIXJJAXQF-NSCUHMNNSA-N 1 2 245.286 0.826 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC1CCOCC1 ZINC000493745320 226252111 /nfs/dbraw/zinc/25/21/11/226252111.db2.gz KFHINVNJQUJJDZ-OWOJBTEDSA-N 1 2 237.259 0.650 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC(=O)C1CC1 ZINC000493762473 226253100 /nfs/dbraw/zinc/25/31/00/226253100.db2.gz WYPPPPZANMYCOO-ARJAWSKDSA-N 1 2 249.270 0.492 20 0 BCADLO COC[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493836071 226256508 /nfs/dbraw/zinc/25/65/08/226256508.db2.gz LGMBYBFYQZCLSQ-XRVBUDJMSA-N 1 2 223.276 0.916 20 0 BCADLO CCn1cc(C[NH2+]Cc2cc(C(N)=O)co2)cn1 ZINC000494466314 226265370 /nfs/dbraw/zinc/26/53/70/226265370.db2.gz PGMQZFYKTXWVFC-UHFFFAOYSA-N 1 2 248.286 0.885 20 0 BCADLO OC[C@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000494983554 226274064 /nfs/dbraw/zinc/27/40/64/226274064.db2.gz BSNDDUWJSYLRMU-UIIMQBOASA-N 1 2 234.299 0.788 20 0 BCADLO OC[C@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000494983554 226274065 /nfs/dbraw/zinc/27/40/65/226274065.db2.gz BSNDDUWJSYLRMU-UIIMQBOASA-N 1 2 234.299 0.788 20 0 BCADLO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496459749 226305274 /nfs/dbraw/zinc/30/52/74/226305274.db2.gz XVTWRMOEXBBBFP-KXUCPTDWSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496459749 226305275 /nfs/dbraw/zinc/30/52/75/226305275.db2.gz XVTWRMOEXBBBFP-KXUCPTDWSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)[C@H](C)CO1 ZINC000496580113 226308610 /nfs/dbraw/zinc/30/86/10/226308610.db2.gz GBMCIGYCXKGSJI-BBBLOLIVSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)[C@H](C)CO1 ZINC000496580113 226308611 /nfs/dbraw/zinc/30/86/11/226308611.db2.gz GBMCIGYCXKGSJI-BBBLOLIVSA-N 1 2 228.292 0.546 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ncn1 ZINC000496712706 226312261 /nfs/dbraw/zinc/31/22/61/226312261.db2.gz ACYBMBNNTSYGFE-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ncn1 ZINC000496712706 226312262 /nfs/dbraw/zinc/31/22/62/226312262.db2.gz ACYBMBNNTSYGFE-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CC(C)(C)OC1=O ZINC000497009337 226320035 /nfs/dbraw/zinc/32/00/35/226320035.db2.gz GIQBCTSJCIGPRD-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CC(C)(C)OC1=O ZINC000497009337 226320036 /nfs/dbraw/zinc/32/00/36/226320036.db2.gz GIQBCTSJCIGPRD-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000505704603 226358850 /nfs/dbraw/zinc/35/88/50/226358850.db2.gz FEESKEQFPZRARX-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO CCOc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000505704603 226358851 /nfs/dbraw/zinc/35/88/51/226358851.db2.gz FEESKEQFPZRARX-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO Cc1nnc(C[NH+]2CCC(C)(CO)CC2)n1C ZINC000401722632 226361696 /nfs/dbraw/zinc/36/16/96/226361696.db2.gz BVYIJIYZVRSUPQ-UHFFFAOYSA-N 1 2 238.335 0.718 20 0 BCADLO Cc1nc(N2C[C@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000401744366 226361722 /nfs/dbraw/zinc/36/17/22/226361722.db2.gz MQMMKMSCNPZPCA-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2C[C@H](C)C[C@H](O)C2)nc[nH+]1 ZINC000401753205 226362097 /nfs/dbraw/zinc/36/20/97/226362097.db2.gz RFOJTMFROANODD-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO COC1(CO)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000401899035 226363146 /nfs/dbraw/zinc/36/31/46/226363146.db2.gz DMBJGDXOFXSPHM-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)OCCCF ZINC000496050478 226295698 /nfs/dbraw/zinc/29/56/98/226295698.db2.gz ZUAISIIMCSSJNI-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000680864046 487659334 /nfs/dbraw/zinc/65/93/34/487659334.db2.gz CFUWFBLOJIEMDZ-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000680864046 487659336 /nfs/dbraw/zinc/65/93/36/487659336.db2.gz CFUWFBLOJIEMDZ-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+](Cc1cscn1)[C@]1(CO)CCOC1 ZINC000680866231 487661742 /nfs/dbraw/zinc/66/17/42/487661742.db2.gz YOZIOLGEFGFJRV-JTQLQIEISA-N 1 2 228.317 0.726 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@]1(CO)CCOC1 ZINC000680866231 487661749 /nfs/dbraw/zinc/66/17/49/487661749.db2.gz YOZIOLGEFGFJRV-JTQLQIEISA-N 1 2 228.317 0.726 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](CO)CC1CC1 ZINC000673056667 487665414 /nfs/dbraw/zinc/66/54/14/487665414.db2.gz PYSMQPOQMNEPIL-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](CCCO)NC(=O)CCCn1cc[nH+]c1 ZINC000675042672 487666002 /nfs/dbraw/zinc/66/60/02/487666002.db2.gz FHWCFDXCWAIONY-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@H]([NH2+]CCc1c[nH]nn1)c1csnn1 ZINC000660810243 487667410 /nfs/dbraw/zinc/66/74/10/487667410.db2.gz ZZXXBPYACQOGIN-LURJTMIESA-N 1 2 224.293 0.550 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000683527429 487669599 /nfs/dbraw/zinc/66/95/99/487669599.db2.gz CFRBARORNUQGFV-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000683527429 487669595 /nfs/dbraw/zinc/66/95/95/487669595.db2.gz CFRBARORNUQGFV-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)C(F)F ZINC000228514838 487669872 /nfs/dbraw/zinc/66/98/72/487669872.db2.gz UDSPACQUVGYKIE-PHDIDXHHSA-N 1 2 215.265 0.663 20 0 BCADLO CCn1nccc1C[N@H+](C)C[C@](C)(O)C(C)=O ZINC000450867618 229166603 /nfs/dbraw/zinc/16/66/03/229166603.db2.gz HKHWAPDTNIHWRX-LBPRGKRZSA-N 1 2 239.319 0.675 20 0 BCADLO CCn1nccc1C[N@@H+](C)C[C@](C)(O)C(C)=O ZINC000450867618 229166605 /nfs/dbraw/zinc/16/66/05/229166605.db2.gz HKHWAPDTNIHWRX-LBPRGKRZSA-N 1 2 239.319 0.675 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCOCC1CCC1 ZINC000680937622 487675491 /nfs/dbraw/zinc/67/54/91/487675491.db2.gz ZHUBDXIRQNSJDY-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO CN(C(=O)[C@H]1CCCC[N@@H+]1C)c1nncs1 ZINC000680939322 487676046 /nfs/dbraw/zinc/67/60/46/487676046.db2.gz BEOHVPIDWPCBNB-MRVPVSSYSA-N 1 2 240.332 0.985 20 0 BCADLO CN(C(=O)[C@H]1CCCC[N@H+]1C)c1nncs1 ZINC000680939322 487676051 /nfs/dbraw/zinc/67/60/51/487676051.db2.gz BEOHVPIDWPCBNB-MRVPVSSYSA-N 1 2 240.332 0.985 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1cnc[nH]1 ZINC000671686970 487691235 /nfs/dbraw/zinc/69/12/35/487691235.db2.gz NFQUURYPVFIBLB-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1cnc[nH]1 ZINC000671686970 487691240 /nfs/dbraw/zinc/69/12/40/487691240.db2.gz NFQUURYPVFIBLB-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1c[nH]cn1 ZINC000671686970 487691244 /nfs/dbraw/zinc/69/12/44/487691244.db2.gz NFQUURYPVFIBLB-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1c[nH]cn1 ZINC000671686970 487691246 /nfs/dbraw/zinc/69/12/46/487691246.db2.gz NFQUURYPVFIBLB-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO CN(CCn1cncn1)Cc1[nH]cc[nH+]1 ZINC000671687074 487691911 /nfs/dbraw/zinc/69/19/11/487691911.db2.gz FLMRZBZQCULVOR-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1ncc[nH]1 ZINC000671687074 487691914 /nfs/dbraw/zinc/69/19/14/487691914.db2.gz FLMRZBZQCULVOR-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1ncc[nH]1 ZINC000671687074 487691916 /nfs/dbraw/zinc/69/19/16/487691916.db2.gz FLMRZBZQCULVOR-UHFFFAOYSA-N 1 2 206.253 0.133 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1nccc(C)n1 ZINC000527467951 262845322 /nfs/dbraw/zinc/84/53/22/262845322.db2.gz GMTPYRCFXYRXIG-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)ccn1 ZINC000527539860 262856195 /nfs/dbraw/zinc/85/61/95/262856195.db2.gz VZQUVCIZVAHQNO-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cc(C[N@H+]2CCn3nncc3C2)ccn1 ZINC000527539860 262856197 /nfs/dbraw/zinc/85/61/97/262856197.db2.gz VZQUVCIZVAHQNO-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCO ZINC000671711593 487702280 /nfs/dbraw/zinc/70/22/80/487702280.db2.gz FRZTVRQJBCHJSR-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCO ZINC000671711593 487702285 /nfs/dbraw/zinc/70/22/85/487702285.db2.gz FRZTVRQJBCHJSR-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO Cc1nc(NCc2nnnn2CC2CC2)cc[nH+]1 ZINC000545318877 487701987 /nfs/dbraw/zinc/70/19/87/487701987.db2.gz VUWGETAJWCMHQW-UHFFFAOYSA-N 1 2 245.290 0.794 20 0 BCADLO CN(c1cc(CO)cc[nH+]1)[C@H]1CCOC1 ZINC000134746384 487711920 /nfs/dbraw/zinc/71/19/20/487711920.db2.gz HRSNQDCXDPQEHT-JTQLQIEISA-N 1 2 208.261 0.799 20 0 BCADLO OCc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000228735430 487719616 /nfs/dbraw/zinc/71/96/16/487719616.db2.gz JEYUZSIAAPKSMT-UHFFFAOYSA-N 1 2 231.242 0.896 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Cc1cnnn1C ZINC000668420287 487722992 /nfs/dbraw/zinc/72/29/92/487722992.db2.gz ZQZSSGDNXZLLIC-UHFFFAOYSA-N 1 2 231.259 0.122 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000681104895 487724717 /nfs/dbraw/zinc/72/47/17/487724717.db2.gz GEJZCHSNJPKXJA-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000681104895 487724720 /nfs/dbraw/zinc/72/47/20/487724720.db2.gz GEJZCHSNJPKXJA-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO CCOCCCNc1[nH+]cnc2c1OCCN2 ZINC000665688651 487730621 /nfs/dbraw/zinc/73/06/21/487730621.db2.gz JWBRKWRYKYLMFE-UHFFFAOYSA-N 1 2 238.291 0.232 20 0 BCADLO CCOCCCNc1nc[nH+]c2c1OCCN2 ZINC000665688651 487730627 /nfs/dbraw/zinc/73/06/27/487730627.db2.gz JWBRKWRYKYLMFE-UHFFFAOYSA-N 1 2 238.291 0.232 20 0 BCADLO OC1(CNc2nc[nH+]c3c2OCCN3)CCC1 ZINC000665700209 487734171 /nfs/dbraw/zinc/73/41/71/487734171.db2.gz CWECQRJYZMHSME-UHFFFAOYSA-N 1 2 236.275 0.608 20 0 BCADLO OC1(CNc2[nH+]cnc3c2OCCN3)CCC1 ZINC000665700209 487734173 /nfs/dbraw/zinc/73/41/73/487734173.db2.gz CWECQRJYZMHSME-UHFFFAOYSA-N 1 2 236.275 0.608 20 0 BCADLO FC(F)(F)CCNc1[nH+]cnc2c1OCCN2 ZINC000665704045 487734947 /nfs/dbraw/zinc/73/49/47/487734947.db2.gz SCYXROZKUAMBIP-UHFFFAOYSA-N 1 2 248.208 0.758 20 0 BCADLO FC(F)(F)CCNc1nc[nH+]c2c1OCCN2 ZINC000665704045 487734950 /nfs/dbraw/zinc/73/49/50/487734950.db2.gz SCYXROZKUAMBIP-UHFFFAOYSA-N 1 2 248.208 0.758 20 0 BCADLO c1nc2c(c(NCCC3CC3)[nH+]1)OCCN2 ZINC000665703362 487735120 /nfs/dbraw/zinc/73/51/20/487735120.db2.gz IWKWAVRRJGLDOU-UHFFFAOYSA-N 1 2 220.276 0.605 20 0 BCADLO c1nc(NCCC2CC2)c2c([nH+]1)NCCO2 ZINC000665703362 487735123 /nfs/dbraw/zinc/73/51/23/487735123.db2.gz IWKWAVRRJGLDOU-UHFFFAOYSA-N 1 2 220.276 0.605 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1ncnn1C(C)C ZINC000088590369 487736176 /nfs/dbraw/zinc/73/61/76/487736176.db2.gz QSEZKUWJPJNAJI-VIFPVBQESA-N 1 2 239.323 0.473 20 0 BCADLO CC(C)=CCNc1nc[nH+]c2c1OCCN2 ZINC000665714336 487737558 /nfs/dbraw/zinc/73/75/58/487737558.db2.gz VOUODYBSEDACDI-UHFFFAOYSA-N 1 2 220.276 0.772 20 0 BCADLO CC(C)=CCNc1[nH+]cnc2c1OCCN2 ZINC000665714336 487737562 /nfs/dbraw/zinc/73/75/62/487737562.db2.gz VOUODYBSEDACDI-UHFFFAOYSA-N 1 2 220.276 0.772 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1O ZINC000665709726 487738205 /nfs/dbraw/zinc/73/82/05/487738205.db2.gz DTYUZRSNMLYTHV-YUMQZZPRSA-N 1 2 236.275 0.098 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1O ZINC000665709726 487738209 /nfs/dbraw/zinc/73/82/09/487738209.db2.gz DTYUZRSNMLYTHV-YUMQZZPRSA-N 1 2 236.275 0.098 20 0 BCADLO CO[C@H](C)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665719246 487738522 /nfs/dbraw/zinc/73/85/22/487738522.db2.gz LQWDBJCTTFMXGY-MRVPVSSYSA-N 1 2 238.291 0.752 20 0 BCADLO CO[C@H](C)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665719246 487738529 /nfs/dbraw/zinc/73/85/29/487738529.db2.gz LQWDBJCTTFMXGY-MRVPVSSYSA-N 1 2 238.291 0.752 20 0 BCADLO CC[C@H](CO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665721209 487740225 /nfs/dbraw/zinc/74/02/25/487740225.db2.gz HRCWXLASMQVWHX-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO CC[C@H](CO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665721209 487740231 /nfs/dbraw/zinc/74/02/31/487740231.db2.gz HRCWXLASMQVWHX-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@@H](F)CCNc1[nH+]cnc2c1OCCN2 ZINC000665720879 487739801 /nfs/dbraw/zinc/73/98/01/487739801.db2.gz RDJPAYCCOHJAGM-SSDOTTSWSA-N 1 2 226.255 0.553 20 0 BCADLO C[C@@H](F)CCNc1nc[nH+]c2c1OCCN2 ZINC000665720879 487739809 /nfs/dbraw/zinc/73/98/09/487739809.db2.gz RDJPAYCCOHJAGM-SSDOTTSWSA-N 1 2 226.255 0.553 20 0 BCADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1O ZINC000678152670 487740059 /nfs/dbraw/zinc/74/00/59/487740059.db2.gz OHKCPKJMGPJTDG-NXEZZACHSA-N 1 2 245.286 0.479 20 0 BCADLO c1nc2n(n1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC000681167864 487740723 /nfs/dbraw/zinc/74/07/23/487740723.db2.gz UIBKJADQLKMDHG-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO c1nc2n(n1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC000681167864 487740726 /nfs/dbraw/zinc/74/07/26/487740726.db2.gz UIBKJADQLKMDHG-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO CC[C@H](Nc1nc[nH+]c2c1OCCN2)[C@H](C)O ZINC000665722109 487740497 /nfs/dbraw/zinc/74/04/97/487740497.db2.gz RAYJQSWYJPCXQB-YUMQZZPRSA-N 1 2 238.291 0.852 20 0 BCADLO CC[C@H](Nc1[nH+]cnc2c1OCCN2)[C@H](C)O ZINC000665722109 487740498 /nfs/dbraw/zinc/74/04/98/487740498.db2.gz RAYJQSWYJPCXQB-YUMQZZPRSA-N 1 2 238.291 0.852 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCn2ncnc2C1 ZINC000681167896 487740601 /nfs/dbraw/zinc/74/06/01/487740601.db2.gz XBANSGDCWNTSLZ-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCn2ncnc2C1 ZINC000681167896 487740604 /nfs/dbraw/zinc/74/06/04/487740604.db2.gz XBANSGDCWNTSLZ-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CN(C)c1cnc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000355598557 487741148 /nfs/dbraw/zinc/74/11/48/487741148.db2.gz QWBJJGAPBRHKLP-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO O[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000838967483 585082928 /nfs/dbraw/zinc/08/29/28/585082928.db2.gz WITMFLMMZJWQEI-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000838967483 585082929 /nfs/dbraw/zinc/08/29/29/585082929.db2.gz WITMFLMMZJWQEI-RKDXNWHRSA-N 1 2 221.247 0.459 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1[nH]c[nH+]c1C ZINC000676757444 487755664 /nfs/dbraw/zinc/75/56/64/487755664.db2.gz RJKWFWPKMNIOBE-VIFPVBQESA-N 1 2 225.292 0.885 20 0 BCADLO CC[C@@H](O)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000645540073 487772369 /nfs/dbraw/zinc/77/23/69/487772369.db2.gz RVLBNFPRPTYWGZ-SNVBAGLBSA-N 1 2 240.307 0.033 20 0 BCADLO CC[N@@H+](Cc1nncn1C)C[C@@H](C)OC ZINC000555255039 487772644 /nfs/dbraw/zinc/77/26/44/487772644.db2.gz ZAABFFYUCCSILV-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1nncn1C)C[C@@H](C)OC ZINC000555255039 487772648 /nfs/dbraw/zinc/77/26/48/487772648.db2.gz ZAABFFYUCCSILV-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)N1CCCCC1 ZINC000047262979 487778376 /nfs/dbraw/zinc/77/83/76/487778376.db2.gz FMVOIHULLMUHSY-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)N1CCCCC1 ZINC000047262979 487778383 /nfs/dbraw/zinc/77/83/83/487778383.db2.gz FMVOIHULLMUHSY-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO C[N@H+](CCC(=O)C1CC1)CCS(C)(=O)=O ZINC000767371607 585517986 /nfs/dbraw/zinc/51/79/86/585517986.db2.gz TYOIVQSRNAFGCE-UHFFFAOYSA-N 1 2 233.333 0.332 20 0 BCADLO C[N@@H+](CCC(=O)C1CC1)CCS(C)(=O)=O ZINC000767371607 585517987 /nfs/dbraw/zinc/51/79/87/585517987.db2.gz TYOIVQSRNAFGCE-UHFFFAOYSA-N 1 2 233.333 0.332 20 0 BCADLO Cc1ccc(NC(=O)N[C@H]2CCNC2=O)c(C)[nH+]1 ZINC000666312941 487784736 /nfs/dbraw/zinc/78/47/36/487784736.db2.gz BHCNFIBACGXLKA-JTQLQIEISA-N 1 2 248.286 0.708 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385474669 487786915 /nfs/dbraw/zinc/78/69/15/487786915.db2.gz AKXJUARPIXDWFT-MBTKJCJQSA-N 1 2 221.260 0.261 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]c1 ZINC000666324794 487789066 /nfs/dbraw/zinc/78/90/66/487789066.db2.gz OUZPTJVQAFZRSH-RKDXNWHRSA-N 1 2 231.259 0.885 20 0 BCADLO CC(C)(C(=O)NCCn1cc[nH+]c1)n1cccn1 ZINC000666351292 487791179 /nfs/dbraw/zinc/79/11/79/487791179.db2.gz CGZDVJFIJYSTCY-UHFFFAOYSA-N 1 2 247.302 0.631 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000666353161 487791879 /nfs/dbraw/zinc/79/18/79/487791879.db2.gz NQICMPABKKEULG-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000047618353 487794414 /nfs/dbraw/zinc/79/44/14/487794414.db2.gz HHVNBBSYOOFIIY-WDEREUQCSA-N 1 2 241.335 0.274 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000675952577 487795604 /nfs/dbraw/zinc/79/56/04/487795604.db2.gz BBUKKJIEFTYFQL-PWSUYJOCSA-N 1 2 248.330 0.868 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000675952577 487795609 /nfs/dbraw/zinc/79/56/09/487795609.db2.gz BBUKKJIEFTYFQL-PWSUYJOCSA-N 1 2 248.330 0.868 20 0 BCADLO CC[C@](C)(CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000676082416 487810991 /nfs/dbraw/zinc/81/09/91/487810991.db2.gz MFHRDGXXGZOIIG-LLVKDONJSA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@](C)(CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000676082416 487810995 /nfs/dbraw/zinc/81/09/95/487810995.db2.gz MFHRDGXXGZOIIG-LLVKDONJSA-N 1 2 239.323 0.819 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C1CC1 ZINC000666451853 487813220 /nfs/dbraw/zinc/81/32/20/487813220.db2.gz QAOKMHSMTIHLEW-SCZZXKLOSA-N 1 2 223.276 0.159 20 0 BCADLO Cc1cc(NC(=O)NC2([C@@H](C)O)CC2)cc[nH+]1 ZINC000666489727 487820797 /nfs/dbraw/zinc/82/07/97/487820797.db2.gz JFFYLQNKYVXNFG-SECBINFHSA-N 1 2 235.287 0.847 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@H](O)C2)c(C)c[nH+]1 ZINC000666496415 487821758 /nfs/dbraw/zinc/82/17/58/487821758.db2.gz XLOLJWZBSSSWGN-MGCOHNPYSA-N 1 2 235.287 0.765 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681600724 487822057 /nfs/dbraw/zinc/82/20/57/487822057.db2.gz AZFHEXXLRDNWHQ-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681600724 487822064 /nfs/dbraw/zinc/82/20/64/487822064.db2.gz AZFHEXXLRDNWHQ-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)no1 ZINC000681605068 487823456 /nfs/dbraw/zinc/82/34/56/487823456.db2.gz PCIXKKRLVPWCAC-JTQLQIEISA-N 1 2 219.248 0.713 20 0 BCADLO c1cc(C[N@H+]2CC[C@H](n3cncn3)C2)no1 ZINC000681605068 487823462 /nfs/dbraw/zinc/82/34/62/487823462.db2.gz PCIXKKRLVPWCAC-JTQLQIEISA-N 1 2 219.248 0.713 20 0 BCADLO C[C@@H](O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000791927734 585991494 /nfs/dbraw/zinc/99/14/94/585991494.db2.gz BGBLMYKFXGOJQD-BDAKNGLRSA-N 1 2 201.266 0.395 20 0 BCADLO C[C@@H](O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000791927734 585991495 /nfs/dbraw/zinc/99/14/95/585991495.db2.gz BGBLMYKFXGOJQD-BDAKNGLRSA-N 1 2 201.266 0.395 20 0 BCADLO COC(C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1)OC ZINC000792389621 586000389 /nfs/dbraw/zinc/00/03/89/586000389.db2.gz UZWGMYLIQSTVIJ-IUCAKERBSA-N 1 2 235.349 0.447 20 0 BCADLO C[C@H](CC(=O)NCc1ccn(C)n1)n1cc[nH+]c1 ZINC000569227485 322945833 /nfs/dbraw/zinc/94/58/33/322945833.db2.gz UFMXCKCINVYKOQ-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO Cn1ncc(C[N@H+](C)CCO)c1Cl ZINC000816480838 586735738 /nfs/dbraw/zinc/73/57/38/586735738.db2.gz YIIQGXLHWKDCOB-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCO)c1Cl ZINC000816480838 586735740 /nfs/dbraw/zinc/73/57/40/586735740.db2.gz YIIQGXLHWKDCOB-UHFFFAOYSA-N 1 2 203.673 0.498 20 0 BCADLO CC(C)OC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000496371198 527821617 /nfs/dbraw/zinc/82/16/17/527821617.db2.gz XTGCEUVPNQRXMA-SNVBAGLBSA-N 1 2 230.308 0.842 20 0 BCADLO CC(C)OC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000496371198 527821627 /nfs/dbraw/zinc/82/16/27/527821627.db2.gz XTGCEUVPNQRXMA-SNVBAGLBSA-N 1 2 230.308 0.842 20 0 BCADLO CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820348405 587044695 /nfs/dbraw/zinc/04/46/95/587044695.db2.gz TUDMKROVXAROJY-UWVGGRQHSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820348405 587044696 /nfs/dbraw/zinc/04/46/96/587044696.db2.gz TUDMKROVXAROJY-UWVGGRQHSA-N 1 2 214.309 0.924 20 0 BCADLO CCO/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000493425448 528531612 /nfs/dbraw/zinc/53/16/12/528531612.db2.gz TWJMOFDWGOXTCC-VAWSOJLPSA-N 1 2 223.276 0.938 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668995312 487843812 /nfs/dbraw/zinc/84/38/12/487843812.db2.gz KGDVEICTVVOEFC-WPRPVWTQSA-N 1 2 223.276 0.841 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC(C)(C)CO ZINC000676384625 487843814 /nfs/dbraw/zinc/84/38/14/487843814.db2.gz QHHBOECUDYEHOG-UHFFFAOYSA-N 1 2 240.307 0.238 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668995312 487843817 /nfs/dbraw/zinc/84/38/17/487843817.db2.gz KGDVEICTVVOEFC-WPRPVWTQSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000668995527 487844190 /nfs/dbraw/zinc/84/41/90/487844190.db2.gz NHDHNLQRNFSNJV-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000668995527 487844193 /nfs/dbraw/zinc/84/41/93/487844193.db2.gz NHDHNLQRNFSNJV-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO Cc1ccncc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000668995084 487844261 /nfs/dbraw/zinc/84/42/61/487844261.db2.gz GKINTJHLYJCRTG-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681746709 487851598 /nfs/dbraw/zinc/85/15/98/487851598.db2.gz XLZGYYNSGGTKOX-AEJSXWLSSA-N 1 2 219.288 0.970 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659847422 487852788 /nfs/dbraw/zinc/85/27/88/487852788.db2.gz NNCAXGWFXQEEAH-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659847422 487852796 /nfs/dbraw/zinc/85/27/96/487852796.db2.gz NNCAXGWFXQEEAH-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000668496096 487854039 /nfs/dbraw/zinc/85/40/39/487854039.db2.gz HFQIDHBZZXDMSI-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000668496096 487854043 /nfs/dbraw/zinc/85/40/43/487854043.db2.gz HFQIDHBZZXDMSI-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO COC[C@H](C)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668497897 487854952 /nfs/dbraw/zinc/85/49/52/487854952.db2.gz LFBYFHWLIYANMQ-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668497897 487854956 /nfs/dbraw/zinc/85/49/56/487854956.db2.gz LFBYFHWLIYANMQ-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H](C[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC000564642482 322956777 /nfs/dbraw/zinc/95/67/77/322956777.db2.gz OKPMQHVFNPXONI-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1COCCCN1C(=O)CCn1cc[nH+]c1 ZINC000676513959 487862496 /nfs/dbraw/zinc/86/24/96/487862496.db2.gz JUXAFPRVMAPOTC-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000681795785 487863499 /nfs/dbraw/zinc/86/34/99/487863499.db2.gz OJVSRWIESPUQPD-ZDUSSCGKSA-N 1 2 249.314 0.602 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292804 641874041 /nfs/dbraw/zinc/87/40/41/641874041.db2.gz DIBOHGLOOAXAOT-QMMMGPOBSA-N 1 2 214.309 0.214 20 0 BCADLO Cn1cc[nH+]c1CN1CC(F)(F)C[C@@H]1CO ZINC000682032952 487884745 /nfs/dbraw/zinc/88/47/45/487884745.db2.gz KXEDCTISGPAATP-MRVPVSSYSA-N 1 2 231.246 0.622 20 0 BCADLO Cc1nc(C[N@@H+]2CCN3CCOC[C@H]3C2)co1 ZINC000660272883 487886683 /nfs/dbraw/zinc/88/66/83/487886683.db2.gz FMEDROBDQGBEBI-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1nc(C[N@H+]2CCN3CCOC[C@H]3C2)co1 ZINC000660272883 487886686 /nfs/dbraw/zinc/88/66/86/487886686.db2.gz FMEDROBDQGBEBI-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO C[C@H](CO)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682034243 487887024 /nfs/dbraw/zinc/88/70/24/487887024.db2.gz QNLRYOKKGXMRIQ-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682034243 487887025 /nfs/dbraw/zinc/88/70/25/487887025.db2.gz QNLRYOKKGXMRIQ-YUMQZZPRSA-N 1 2 209.236 0.317 20 0 BCADLO COCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666884237 487896984 /nfs/dbraw/zinc/89/69/84/487896984.db2.gz HWBXRQZWIDYUAY-NXEZZACHSA-N 1 2 237.303 0.628 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1ncnn1C ZINC000676710972 487898356 /nfs/dbraw/zinc/89/83/56/487898356.db2.gz DGKKZTJGNILCMW-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1ncnn1C ZINC000676710972 487898358 /nfs/dbraw/zinc/89/83/58/487898358.db2.gz DGKKZTJGNILCMW-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000668536452 487900197 /nfs/dbraw/zinc/90/01/97/487900197.db2.gz UANZDBLRZOYTMF-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO CCC[C@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000676747576 487915712 /nfs/dbraw/zinc/91/57/12/487915712.db2.gz IHRWFUDPXCOQRA-JTQLQIEISA-N 1 2 239.319 0.930 20 0 BCADLO CC(C)(C(=O)N1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000669911750 487921333 /nfs/dbraw/zinc/92/13/33/487921333.db2.gz PUFASHGAZANVLK-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000676792157 487929314 /nfs/dbraw/zinc/92/93/14/487929314.db2.gz KCJZIBZTKKUGCI-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000676792157 487929315 /nfs/dbraw/zinc/92/93/15/487929315.db2.gz KCJZIBZTKKUGCI-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000676792157 487929318 /nfs/dbraw/zinc/92/93/18/487929318.db2.gz KCJZIBZTKKUGCI-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000676792157 487929320 /nfs/dbraw/zinc/92/93/20/487929320.db2.gz KCJZIBZTKKUGCI-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO Cn1cncc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676798264 487932007 /nfs/dbraw/zinc/93/20/07/487932007.db2.gz SKXWBAGEDXLQNN-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cncc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000676798264 487932010 /nfs/dbraw/zinc/93/20/10/487932010.db2.gz SKXWBAGEDXLQNN-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CCC[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000052732736 487934734 /nfs/dbraw/zinc/93/47/34/487934734.db2.gz ILXSRAXXXACKQZ-VIFPVBQESA-N 1 2 248.286 0.884 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1csnn1)[C@@H](C)CO ZINC000682409296 487951386 /nfs/dbraw/zinc/95/13/86/487951386.db2.gz MSQNJJNCBBYOSE-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1csnn1)[C@@H](C)CO ZINC000682409296 487951390 /nfs/dbraw/zinc/95/13/90/487951390.db2.gz MSQNJJNCBBYOSE-JGVFFNPUSA-N 1 2 231.321 0.102 20 0 BCADLO Cc1nc(C(=O)NCCc2[nH]cc[nH+]2)co1 ZINC000669950374 487956513 /nfs/dbraw/zinc/95/65/13/487956513.db2.gz CSRGQVCIUPNAAM-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096642031 322969065 /nfs/dbraw/zinc/96/90/65/322969065.db2.gz UJQGLJGGTODIHQ-CMPLNLGQSA-N 1 2 249.314 0.741 20 0 BCADLO CCCOCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145460 487957162 /nfs/dbraw/zinc/95/71/62/487957162.db2.gz INKHCGRQSOQURT-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000561112945 322995494 /nfs/dbraw/zinc/99/54/94/322995494.db2.gz HMOMCDOPEBOJRH-QMMMGPOBSA-N 1 2 228.292 0.006 20 0 BCADLO Cc1cc(NC(=O)CN2CCCC2=O)cc[nH+]1 ZINC000074695972 323002325 /nfs/dbraw/zinc/00/23/25/323002325.db2.gz DPUHUTPSDPNFJK-UHFFFAOYSA-N 1 2 233.271 0.951 20 0 BCADLO COCC1=CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000562279694 323014736 /nfs/dbraw/zinc/01/47/36/323014736.db2.gz SHGWHOZQJPRRQZ-UHFFFAOYSA-N 1 2 235.287 0.688 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638094 323019153 /nfs/dbraw/zinc/01/91/53/323019153.db2.gz WYBVVODLVNSVEM-IEBDPFPHSA-N 1 2 235.287 0.063 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638094 323019154 /nfs/dbraw/zinc/01/91/54/323019154.db2.gz WYBVVODLVNSVEM-IEBDPFPHSA-N 1 2 235.287 0.063 20 0 BCADLO CC(C)[C@@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565107891 323023455 /nfs/dbraw/zinc/02/34/55/323023455.db2.gz XWYFERJFPUIMKK-MRVPVSSYSA-N 1 2 225.292 0.778 20 0 BCADLO Cc1nnc(C[N@@H+]2CCc3nc(C)ncc3C2)[nH]1 ZINC000562628118 323025848 /nfs/dbraw/zinc/02/58/48/323025848.db2.gz ZYEAEWDUXDVDPO-UHFFFAOYSA-N 1 2 244.302 0.770 20 0 BCADLO Cc1nnc(C[N@H+]2CCc3nc(C)ncc3C2)[nH]1 ZINC000562628118 323025849 /nfs/dbraw/zinc/02/58/49/323025849.db2.gz ZYEAEWDUXDVDPO-UHFFFAOYSA-N 1 2 244.302 0.770 20 0 BCADLO Cc1c[nH]c(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000564748473 323030078 /nfs/dbraw/zinc/03/00/78/323030078.db2.gz YLOAYPKXGUXINS-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000151907378 323032961 /nfs/dbraw/zinc/03/29/61/323032961.db2.gz CJQXVPWZELUGID-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000151907378 323032962 /nfs/dbraw/zinc/03/29/62/323032962.db2.gz CJQXVPWZELUGID-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO [NH3+]CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565225992 323034550 /nfs/dbraw/zinc/03/45/50/323034550.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 1 2 241.379 0.522 20 0 BCADLO [NH3+]CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565225992 323034551 /nfs/dbraw/zinc/03/45/51/323034551.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 1 2 241.379 0.522 20 0 BCADLO CSCC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000569870255 323043418 /nfs/dbraw/zinc/04/34/18/323043418.db2.gz WMDPTZHTJUUYRQ-VIFPVBQESA-N 1 2 243.332 0.113 20 0 BCADLO C[C@H](O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000569982259 323046373 /nfs/dbraw/zinc/04/63/73/323046373.db2.gz DDRXTOBKBISTMC-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCn3nncc3C2)CC1 ZINC000570173540 323052011 /nfs/dbraw/zinc/05/20/11/323052011.db2.gz JHQMBLNSNGMDBT-UHFFFAOYSA-N 1 2 236.275 0.047 20 0 BCADLO COC(=O)C1(C[N@H+]2CCn3nncc3C2)CC1 ZINC000570173540 323052012 /nfs/dbraw/zinc/05/20/12/323052012.db2.gz JHQMBLNSNGMDBT-UHFFFAOYSA-N 1 2 236.275 0.047 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000570277632 323054789 /nfs/dbraw/zinc/05/47/89/323054789.db2.gz OGAKTRZBSVKRDZ-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000570277632 323054790 /nfs/dbraw/zinc/05/47/90/323054790.db2.gz OGAKTRZBSVKRDZ-JTQLQIEISA-N 1 2 243.351 0.215 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H]1CCCO1 ZINC000570297891 323055788 /nfs/dbraw/zinc/05/57/88/323055788.db2.gz LUHYPEYFFHTDBD-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)C[C@H]1CCCO1 ZINC000570297891 323055789 /nfs/dbraw/zinc/05/57/89/323055789.db2.gz LUHYPEYFFHTDBD-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cn(C)nn1 ZINC000570320059 323056242 /nfs/dbraw/zinc/05/62/42/323056242.db2.gz XUNYCMNBSRMLCO-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cn(C)nn1 ZINC000570320059 323056243 /nfs/dbraw/zinc/05/62/43/323056243.db2.gz XUNYCMNBSRMLCO-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2ncnc2C1 ZINC000570400451 323058555 /nfs/dbraw/zinc/05/85/55/323058555.db2.gz YQLXVJWKOJXNPB-GHMZBOCLSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2ncnc2C1 ZINC000570400451 323058556 /nfs/dbraw/zinc/05/85/56/323058556.db2.gz YQLXVJWKOJXNPB-GHMZBOCLSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]nnc3C2)C1 ZINC000570408386 323058801 /nfs/dbraw/zinc/05/88/01/323058801.db2.gz AOPOVVBKKNWQLE-VIFPVBQESA-N 1 2 249.318 0.031 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]nnc3C2)C1 ZINC000570408386 323058802 /nfs/dbraw/zinc/05/88/02/323058802.db2.gz AOPOVVBKKNWQLE-VIFPVBQESA-N 1 2 249.318 0.031 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC[C@H]1CCCO1 ZINC000570497950 323061115 /nfs/dbraw/zinc/06/11/15/323061115.db2.gz KJZDPIMOLQWVOI-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000570497950 323061116 /nfs/dbraw/zinc/06/11/16/323061116.db2.gz KJZDPIMOLQWVOI-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nn1C ZINC000570526562 323062169 /nfs/dbraw/zinc/06/21/69/323062169.db2.gz AMZODVHVXQUOSW-SSDOTTSWSA-N 1 2 248.290 0.664 20 0 BCADLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)nn1C ZINC000570526562 323062170 /nfs/dbraw/zinc/06/21/70/323062170.db2.gz AMZODVHVXQUOSW-SSDOTTSWSA-N 1 2 248.290 0.664 20 0 BCADLO CN(CC1(O)CCC1)C(=O)Cc1c[nH+]cn1C ZINC000570540262 323062714 /nfs/dbraw/zinc/06/27/14/323062714.db2.gz CAAHXRMGRUCSSN-UHFFFAOYSA-N 1 2 237.303 0.336 20 0 BCADLO [NH3+][C@@H](C(=O)N[C@H]1CC12CC2)c1cscn1 ZINC000570624905 323065081 /nfs/dbraw/zinc/06/50/81/323065081.db2.gz UEKCJCMXEJYBGG-JGVFFNPUSA-N 1 2 223.301 0.812 20 0 BCADLO CCNC(=O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570639372 323065667 /nfs/dbraw/zinc/06/56/67/323065667.db2.gz ZNLXZZOQHJFZPJ-UHFFFAOYSA-N 1 2 238.291 0.287 20 0 BCADLO Cn1cnc(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000572780522 323069402 /nfs/dbraw/zinc/06/94/02/323069402.db2.gz NDVPUGAYEHOXLP-UHFFFAOYSA-N 1 2 223.280 0.095 20 0 BCADLO NC(=O)CC[NH2+]Cc1n[nH]cc1Br ZINC000562985307 323078014 /nfs/dbraw/zinc/07/80/14/323078014.db2.gz OSGJSJCMMOZFSH-UHFFFAOYSA-N 1 2 247.096 0.137 20 0 BCADLO CN(C)[C@H](C(=O)N[C@H]1CC12CC2)c1c[nH+]cn1C ZINC000563006841 323079563 /nfs/dbraw/zinc/07/95/63/323079563.db2.gz HLZZHOVBIQBOIX-QWRGUYRKSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)c1nccn1C)S(C)(=O)=O ZINC000309805009 323082738 /nfs/dbraw/zinc/08/27/38/323082738.db2.gz XJALSYGDWXEMJI-BDAKNGLRSA-N 1 2 245.348 0.504 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)no1 ZINC000068940245 323086933 /nfs/dbraw/zinc/08/69/33/323086933.db2.gz TVGFWSFZKFYPOK-SECBINFHSA-N 1 2 244.316 0.650 20 0 BCADLO NC(=O)c1ccc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000564786580 323092950 /nfs/dbraw/zinc/09/29/50/323092950.db2.gz HUQYAVDSISZBRC-UHFFFAOYSA-N 1 2 245.242 0.016 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC(=O)C1 ZINC000563181386 323100581 /nfs/dbraw/zinc/10/05/81/323100581.db2.gz FYLTUEDKQFJKMP-ZJUUUORDSA-N 1 2 235.287 0.757 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000563198926 323101300 /nfs/dbraw/zinc/10/13/00/323101300.db2.gz PZADMCWNJOEYOF-PWSUYJOCSA-N 1 2 249.314 0.600 20 0 BCADLO Cc1noc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000563238676 323105941 /nfs/dbraw/zinc/10/59/41/323105941.db2.gz WWCPFKDVRVNYPT-SSDOTTSWSA-N 1 2 235.247 0.586 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000563364121 323121078 /nfs/dbraw/zinc/12/10/78/323121078.db2.gz KSQNFTHSSOTVTH-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000563364121 323121079 /nfs/dbraw/zinc/12/10/79/323121079.db2.gz KSQNFTHSSOTVTH-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000563383272 323122104 /nfs/dbraw/zinc/12/21/04/323122104.db2.gz LQTVVSWZYYFXQY-TUAOUCFPSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000563383271 323122127 /nfs/dbraw/zinc/12/21/27/323122127.db2.gz LQTVVSWZYYFXQY-SRVKXCTJSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1cc(N2CC(O)(CO)C2)nc(C(C)C)[nH+]1 ZINC000563424773 323125896 /nfs/dbraw/zinc/12/58/96/323125896.db2.gz NENFLMVOXMGZSM-UHFFFAOYSA-N 1 2 237.303 0.452 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[C@@H](O)C1 ZINC000310342108 323130988 /nfs/dbraw/zinc/13/09/88/323130988.db2.gz FBAFSVIORAGKRA-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H](CNS(C)(=O)=O)Cn1cc[nH+]c1 ZINC000563663494 323134066 /nfs/dbraw/zinc/13/40/66/323134066.db2.gz QKDPBWXXVNIWQH-MRVPVSSYSA-N 1 2 217.294 0.068 20 0 BCADLO C[C@H]1C[N@H+](CCCC(=O)N(C)C)CC[S@@]1=O ZINC000571101838 323135489 /nfs/dbraw/zinc/13/54/89/323135489.db2.gz LFQYVNBBTCEWSY-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H]1C[N@@H+](CCCC(=O)N(C)C)CC[S@@]1=O ZINC000571101838 323135490 /nfs/dbraw/zinc/13/54/90/323135490.db2.gz LFQYVNBBTCEWSY-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1ccn(C)n1 ZINC000571212763 323138539 /nfs/dbraw/zinc/13/85/39/323138539.db2.gz UEIFKZILGQUSHP-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1nnn(C)n1 ZINC000571288625 323140334 /nfs/dbraw/zinc/14/03/34/323140334.db2.gz DNWBLPZFJZHZTD-IUCAKERBSA-N 1 2 227.312 0.097 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000571296639 323140617 /nfs/dbraw/zinc/14/06/17/323140617.db2.gz VZEOALCYJKPCJJ-RKDXNWHRSA-N 1 2 233.271 0.262 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000571397509 323143567 /nfs/dbraw/zinc/14/35/67/323143567.db2.gz ZHXRXWJCWDWMJU-QMMMGPOBSA-N 1 2 247.306 0.475 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000571397509 323143568 /nfs/dbraw/zinc/14/35/68/323143568.db2.gz ZHXRXWJCWDWMJU-QMMMGPOBSA-N 1 2 247.306 0.475 20 0 BCADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)c(=O)n(C)c1 ZINC000571491912 323145836 /nfs/dbraw/zinc/14/58/36/323145836.db2.gz JCFMTWJGRPDEPM-UHFFFAOYSA-N 1 2 246.270 0.529 20 0 BCADLO CO[C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000563739591 323176553 /nfs/dbraw/zinc/17/65/53/323176553.db2.gz MLRCWFXLPHEJMK-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CN1CCC[C@H]1C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000563855737 323181129 /nfs/dbraw/zinc/18/11/29/323181129.db2.gz UOGOPDGIYACZIM-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO CN1CCC[C@H]1C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000563855737 323181130 /nfs/dbraw/zinc/18/11/30/323181130.db2.gz UOGOPDGIYACZIM-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO O=C(Cc1cncs1)N1CC(n2cc[nH+]c2)C1 ZINC000525867701 323181277 /nfs/dbraw/zinc/18/12/77/323181277.db2.gz VRLWKZPKFBAGPD-UHFFFAOYSA-N 1 2 248.311 0.966 20 0 BCADLO Cn1ccc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000563874469 323182283 /nfs/dbraw/zinc/18/22/83/323182283.db2.gz UHIQWUREPAUTCE-UHFFFAOYSA-N 1 2 232.287 0.618 20 0 BCADLO CN(CC(N)=O)c1cc[nH+]c2ccncc21 ZINC000428113932 323182378 /nfs/dbraw/zinc/18/23/78/323182378.db2.gz ZFMNBUYTWHZEJW-UHFFFAOYSA-N 1 2 216.244 0.551 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccon1 ZINC000308976617 323183142 /nfs/dbraw/zinc/18/31/42/323183142.db2.gz GVIWAIXWGUKHAL-MRVPVSSYSA-N 1 2 209.249 0.558 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535749174 323190435 /nfs/dbraw/zinc/19/04/35/323190435.db2.gz PFULTVLICZHZAP-SECBINFHSA-N 1 2 235.287 0.583 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@H](O)C2)c(C)c[nH+]1 ZINC000535772379 323190891 /nfs/dbraw/zinc/19/08/91/323190891.db2.gz ATONDTAGYLSXJI-JTQLQIEISA-N 1 2 235.287 0.719 20 0 BCADLO Cn1nncc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000535825582 323192819 /nfs/dbraw/zinc/19/28/19/323192819.db2.gz HFPFOECUYKXMLV-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO Cn1nncc1C[N@H+]1CCSC[C@@H]1CCO ZINC000535825582 323192820 /nfs/dbraw/zinc/19/28/20/323192820.db2.gz HFPFOECUYKXMLV-VIFPVBQESA-N 1 2 242.348 0.115 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cn2cccnc2n1 ZINC000114339381 323193495 /nfs/dbraw/zinc/19/34/95/323193495.db2.gz HLSMTHSYIWVMNN-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO C[C@@]1(F)CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000563895695 323201400 /nfs/dbraw/zinc/20/14/00/323201400.db2.gz XOWSTPAPBXVKOE-GMSGAONNSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@@]1(F)CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000563895695 323201401 /nfs/dbraw/zinc/20/14/01/323201401.db2.gz XOWSTPAPBXVKOE-GMSGAONNSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCc2c[nH+]cn2C)CO1 ZINC000527383533 323204008 /nfs/dbraw/zinc/20/40/08/323204008.db2.gz VMYQCRWFEHANLR-ZJUUUORDSA-N 1 2 237.303 0.504 20 0 BCADLO CC(=O)c1cc(C(=O)N2CC[NH+](C)CC2)n(C)c1 ZINC000054455500 323204721 /nfs/dbraw/zinc/20/47/21/323204721.db2.gz YRHNXKSUDDHQEL-UHFFFAOYSA-N 1 2 249.314 0.615 20 0 BCADLO O=C([C@H]1CCC[C@H](O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000526131729 323239815 /nfs/dbraw/zinc/23/98/15/323239815.db2.gz XEATUZWEXMPNNT-JQWIXIFHSA-N 1 2 249.314 0.818 20 0 BCADLO Cc1cccn2cc(CC(=O)N[C@@H](C)CO)[nH+]c12 ZINC000532480675 323269878 /nfs/dbraw/zinc/26/98/78/323269878.db2.gz VCFDXBZERGRSKU-JTQLQIEISA-N 1 2 247.298 0.682 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1n[nH]c2ccccc21 ZINC000532787066 323297590 /nfs/dbraw/zinc/29/75/90/323297590.db2.gz DYCXDTXGTGDLML-UHFFFAOYSA-N 1 2 244.298 0.998 20 0 BCADLO CCNC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000526969365 323308730 /nfs/dbraw/zinc/30/87/30/323308730.db2.gz JXANCDVWNGAWLY-UHFFFAOYSA-N 1 2 229.299 0.836 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954576 323334362 /nfs/dbraw/zinc/33/43/62/323334362.db2.gz GPZKUNXPBOASCV-ZJUUUORDSA-N 1 2 223.276 0.989 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954576 323334364 /nfs/dbraw/zinc/33/43/64/323334364.db2.gz GPZKUNXPBOASCV-ZJUUUORDSA-N 1 2 223.276 0.989 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000572180662 323560173 /nfs/dbraw/zinc/56/01/73/323560173.db2.gz LXAZZXMSMGBUEI-NEPJUHHUSA-N 1 2 249.314 0.957 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC(=O)C1CC1 ZINC000527252714 323665114 /nfs/dbraw/zinc/66/51/14/323665114.db2.gz JNRPUTAOXWFPKO-UHFFFAOYSA-N 1 2 235.287 0.448 20 0 BCADLO CO[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054872470 323669067 /nfs/dbraw/zinc/66/90/67/323669067.db2.gz NVVWFSSXVBXKOS-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](C)S(C)(=O)=O ZINC000527939253 323721175 /nfs/dbraw/zinc/72/11/75/323721175.db2.gz NBRBDZSDOIMAFM-MRVPVSSYSA-N 1 2 244.316 0.935 20 0 BCADLO COc1ccc[nH+]c1N1CC(=O)N(C)[C@H](C)C1 ZINC000528002097 323737009 /nfs/dbraw/zinc/73/70/09/323737009.db2.gz OWEMBMRGKWNTCQ-SECBINFHSA-N 1 2 235.287 0.757 20 0 BCADLO C[C@@H](O)CN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667248675 487962002 /nfs/dbraw/zinc/96/20/02/487962002.db2.gz DBAVLXMWZXKSQA-BDAKNGLRSA-N 1 2 240.307 0.503 20 0 BCADLO C[C@@H](NC(=O)N(C)C[C@H](C)O)c1[nH+]ccn1C ZINC000667252244 487961873 /nfs/dbraw/zinc/96/18/73/487961873.db2.gz DBAVLXMWZXKSQA-DTWKUNHWSA-N 1 2 240.307 0.503 20 0 BCADLO Cc1nnc(NC(=O)Cn2cc[nH+]c2)n1C1CC1 ZINC000516500652 324117612 /nfs/dbraw/zinc/11/76/12/324117612.db2.gz XQSRCWIEZADUJT-UHFFFAOYSA-N 1 2 246.274 0.757 20 0 BCADLO COCC[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000517731370 324176512 /nfs/dbraw/zinc/17/65/12/324176512.db2.gz QLJALOPUVOQHBB-IONNQARKSA-N 1 2 243.332 0.684 20 0 BCADLO Cc1cc(NC(=O)c2cn(C)nn2)c(C)c[nH+]1 ZINC000564147214 324177478 /nfs/dbraw/zinc/17/74/78/324177478.db2.gz GXQHNYOMFWZRBC-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO Cc1[nH]c(C(=O)NCC23CC(C2)CO3)c[nH+]1 ZINC000529874253 324424507 /nfs/dbraw/zinc/42/45/07/324424507.db2.gz GAEFUUUBOFDZPE-UHFFFAOYSA-N 1 2 221.260 0.627 20 0 BCADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(N)=O ZINC000125420695 324641066 /nfs/dbraw/zinc/64/10/66/324641066.db2.gz AMCYMJAOKPSKEJ-ZETCQYMHSA-N 1 2 226.251 0.970 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nc2cn[nH]c2)C1 ZINC000564224709 324872980 /nfs/dbraw/zinc/87/29/80/324872980.db2.gz ZNAVOKVEQLPUMF-UHFFFAOYSA-N 1 2 208.265 0.690 20 0 BCADLO Cc1nc(N2C[C@@H](C)OC3(CCC3)C2)nc(N)[nH+]1 ZINC000631330684 487966692 /nfs/dbraw/zinc/96/66/92/487966692.db2.gz SDPPZSLCNSZPEP-MRVPVSSYSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)OC3(CCC3)C2)[nH+]1 ZINC000631330684 487966697 /nfs/dbraw/zinc/96/66/97/487966697.db2.gz SDPPZSLCNSZPEP-MRVPVSSYSA-N 1 2 249.318 0.910 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CS1 ZINC000567510059 324962517 /nfs/dbraw/zinc/96/25/17/324962517.db2.gz UAONZNYIRAJSRJ-DTWKUNHWSA-N 1 2 225.317 0.893 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H](CO)O[C@@H](C)C1 ZINC000230005925 324989914 /nfs/dbraw/zinc/98/99/14/324989914.db2.gz HRZSPKOHYSHLJH-VHSXEESVSA-N 1 2 238.287 0.676 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cccnc1 ZINC000542481867 325030617 /nfs/dbraw/zinc/03/06/17/325030617.db2.gz IPHXFHYUCXTKGD-UHFFFAOYSA-N 1 2 230.271 0.788 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccncc32)C1 ZINC000542636528 325038138 /nfs/dbraw/zinc/03/81/38/325038138.db2.gz SHPFSWQLCCGETI-GFCCVEGCSA-N 1 2 247.298 0.301 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3ccncc32)C1 ZINC000542636528 325038141 /nfs/dbraw/zinc/03/81/41/325038141.db2.gz SHPFSWQLCCGETI-GFCCVEGCSA-N 1 2 247.298 0.301 20 0 BCADLO Cc1nnc(C[N@H+](C)CCOCC2CC2)n1C ZINC000130371463 325045700 /nfs/dbraw/zinc/04/57/00/325045700.db2.gz FJVWIZJOBWDPMO-UHFFFAOYSA-N 1 2 238.335 0.982 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCOCC2CC2)n1C ZINC000130371463 325045705 /nfs/dbraw/zinc/04/57/05/325045705.db2.gz FJVWIZJOBWDPMO-UHFFFAOYSA-N 1 2 238.335 0.982 20 0 BCADLO COC(=O)[C@@]1([NH2+]C2CCCC2)CCOC1 ZINC000070993006 325049701 /nfs/dbraw/zinc/04/97/01/325049701.db2.gz GOWNDHIDAUXNLN-LLVKDONJSA-N 1 2 213.277 0.851 20 0 BCADLO Cc1cnc(C(=O)NCCc2c[nH+]cn2C)cn1 ZINC000543409571 325086944 /nfs/dbraw/zinc/08/69/44/325086944.db2.gz VNYCKKBWGXRVST-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccc[nH]c1=O ZINC000543446310 325088787 /nfs/dbraw/zinc/08/87/87/325088787.db2.gz IIKLEPJEDOMBTA-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)c1ccccc1 ZINC000311042140 325122511 /nfs/dbraw/zinc/12/25/11/325122511.db2.gz PEMPZBSLFDVIAL-LBPRGKRZSA-N 1 2 245.282 0.733 20 0 BCADLO Cn1[nH]c(C[N@H+](C)CCc2ccccn2)nc1=O ZINC000544398974 325140359 /nfs/dbraw/zinc/14/03/59/325140359.db2.gz FYCXUQCSQURIJZ-UHFFFAOYSA-N 1 2 247.302 0.178 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)CCc2ccccn2)nc1=O ZINC000544398974 325140361 /nfs/dbraw/zinc/14/03/61/325140361.db2.gz FYCXUQCSQURIJZ-UHFFFAOYSA-N 1 2 247.302 0.178 20 0 BCADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCOC1 ZINC000544559730 325148491 /nfs/dbraw/zinc/14/84/91/325148491.db2.gz DQWGLXKHONENCX-LBPRGKRZSA-N 1 2 235.287 0.693 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CN(C)C(C)=O ZINC000131453519 325153315 /nfs/dbraw/zinc/15/33/15/325153315.db2.gz XGQFZNYXXOAYIZ-UHFFFAOYSA-N 1 2 237.259 0.507 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccccn1 ZINC000073394589 325198145 /nfs/dbraw/zinc/19/81/45/325198145.db2.gz PEFITRKIKZPNCF-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccccn1 ZINC000073394589 325198148 /nfs/dbraw/zinc/19/81/48/325198148.db2.gz PEFITRKIKZPNCF-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO c1ccc(C[NH2+]Cc2nnnn2CC2CC2)nc1 ZINC000545322357 325213234 /nfs/dbraw/zinc/21/32/34/325213234.db2.gz UGZYYYYDAMEJDZ-UHFFFAOYSA-N 1 2 244.302 0.768 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000132610896 325229731 /nfs/dbraw/zinc/22/97/31/325229731.db2.gz STJFLOQYGRUPMD-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000132610896 325229735 /nfs/dbraw/zinc/22/97/35/325229735.db2.gz STJFLOQYGRUPMD-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO Cn1ncnc1C[N@H+](C)CCOCC1CC1 ZINC000075024272 325275643 /nfs/dbraw/zinc/27/56/43/325275643.db2.gz TXOQUSYZVGHMHL-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CCOCC1CC1 ZINC000075024272 325275648 /nfs/dbraw/zinc/27/56/48/325275648.db2.gz TXOQUSYZVGHMHL-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO COCCOCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000133798432 325320517 /nfs/dbraw/zinc/32/05/17/325320517.db2.gz DWUFSZSTHYCKGY-UHFFFAOYSA-N 1 2 245.319 0.725 20 0 BCADLO COc1ncccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134492033 325360992 /nfs/dbraw/zinc/36/09/92/325360992.db2.gz ZQJVRSABBYRCHB-UHFFFAOYSA-N 1 2 246.270 0.786 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCS1 ZINC000547539585 325370909 /nfs/dbraw/zinc/37/09/09/325370909.db2.gz VUXRJRJPUUGNSO-SNVBAGLBSA-N 1 2 239.344 0.974 20 0 BCADLO c1cnnc(SCC[NH+]2CCOCC2)c1 ZINC000547762824 325393177 /nfs/dbraw/zinc/39/31/77/325393177.db2.gz CMOYDFCMYDUDFU-UHFFFAOYSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1nnc(NC(=O)Cc2c[nH+]cn2C)s1 ZINC000547863837 325409994 /nfs/dbraw/zinc/40/99/94/325409994.db2.gz AKKFUAUBLZKLBA-UHFFFAOYSA-N 1 2 237.288 0.761 20 0 BCADLO COC(=O)CCCNC(=O)Cc1c[nH+]cn1C ZINC000547864429 325409999 /nfs/dbraw/zinc/40/99/99/325409999.db2.gz WTLYULPPWOYGKB-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H](O)C1 ZINC000548748289 325477648 /nfs/dbraw/zinc/47/76/48/325477648.db2.gz GKYBSAVHUDHFTL-BDAKNGLRSA-N 1 2 235.287 0.423 20 0 BCADLO Cc1nc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)nc(N)[nH+]1 ZINC000631304041 487968251 /nfs/dbraw/zinc/96/82/51/487968251.db2.gz PEOZPIMISILWTA-AEJSXWLSSA-N 1 2 249.318 0.359 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)[nH+]1 ZINC000631304041 487968257 /nfs/dbraw/zinc/96/82/57/487968257.db2.gz PEOZPIMISILWTA-AEJSXWLSSA-N 1 2 249.318 0.359 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000248395166 325605737 /nfs/dbraw/zinc/60/57/37/325605737.db2.gz IXYCGDPWWNUKAG-YIZRAAEISA-N 1 2 228.292 0.182 20 0 BCADLO CC[C@H](C)C[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249121612 325638255 /nfs/dbraw/zinc/63/82/55/325638255.db2.gz SUIMZZMMOKKCQT-CIUDSAMLSA-N 1 2 203.282 0.545 20 0 BCADLO Cn1cc[nH+]c1[C@@H](CC(N)=O)C(F)(F)F ZINC000552916523 325669523 /nfs/dbraw/zinc/66/95/23/325669523.db2.gz UNOTVCGTHQOZKK-RXMQYKEDSA-N 1 2 221.182 0.941 20 0 BCADLO COC1(C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000554594337 325730312 /nfs/dbraw/zinc/73/03/12/325730312.db2.gz ZSDYERUQRRDOEO-UHFFFAOYSA-N 1 2 223.276 0.210 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCCF ZINC000564582584 325797342 /nfs/dbraw/zinc/79/73/42/325797342.db2.gz UVTFFQVLPRWZTO-UHFFFAOYSA-N 1 2 214.244 0.579 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(O)CCC1 ZINC000672147341 487971378 /nfs/dbraw/zinc/97/13/78/487971378.db2.gz LDNPZIRIHCEFMR-SECBINFHSA-N 1 2 235.287 0.229 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H](CF)C1 ZINC000565658149 325939586 /nfs/dbraw/zinc/93/95/86/325939586.db2.gz ZBIYERNIXDROFG-SECBINFHSA-N 1 2 227.239 0.080 20 0 BCADLO Cc1nnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1C ZINC000565720407 325948674 /nfs/dbraw/zinc/94/86/74/325948674.db2.gz QPFWWCXEJGYHDE-MRVPVSSYSA-N 1 2 248.290 0.910 20 0 BCADLO CCn1cc[nH+]c1CN1CC(O)(C(F)F)C1 ZINC000566137958 326001816 /nfs/dbraw/zinc/00/18/16/326001816.db2.gz UMNDAFVXRYUSIO-UHFFFAOYSA-N 1 2 231.246 0.715 20 0 BCADLO CCc1nnc([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)o1 ZINC000566185798 326008943 /nfs/dbraw/zinc/00/89/43/326008943.db2.gz SNGYYISUHMPGBW-DJLDLDEBSA-N 1 2 241.291 0.696 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566293021 326029685 /nfs/dbraw/zinc/02/96/85/326029685.db2.gz YKSGGEAEKYCNQO-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CCO)CC1 ZINC000566462870 326051072 /nfs/dbraw/zinc/05/10/72/326051072.db2.gz XNYBAKUXENBNFS-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CCO)CC1 ZINC000566462870 326051075 /nfs/dbraw/zinc/05/10/75/326051075.db2.gz XNYBAKUXENBNFS-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H](CO)C1 ZINC000566532435 326061963 /nfs/dbraw/zinc/06/19/63/326061963.db2.gz FWRIGXJUVHWZMX-SNVBAGLBSA-N 1 2 223.276 0.291 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC2(CCC2)O1 ZINC000566970692 326097746 /nfs/dbraw/zinc/09/77/46/326097746.db2.gz GERZKCCDBMGACH-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC2(CCC2)O1 ZINC000566970692 326097748 /nfs/dbraw/zinc/09/77/48/326097748.db2.gz GERZKCCDBMGACH-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC2(CCC2)O1 ZINC000566970693 326097899 /nfs/dbraw/zinc/09/78/99/326097899.db2.gz GERZKCCDBMGACH-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC2(CCC2)O1 ZINC000566970693 326097903 /nfs/dbraw/zinc/09/79/03/326097903.db2.gz GERZKCCDBMGACH-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000566981884 326099643 /nfs/dbraw/zinc/09/96/43/326099643.db2.gz PRQUELCGVQMFRW-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000566981884 326099645 /nfs/dbraw/zinc/09/96/45/326099645.db2.gz PRQUELCGVQMFRW-UHFFFAOYSA-N 1 2 227.352 0.491 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)CCN1CC(F)F ZINC000153554330 326102074 /nfs/dbraw/zinc/10/20/74/326102074.db2.gz YTVWOYPSSUIPSB-SECBINFHSA-N 1 2 249.305 0.394 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)CCN1CC(F)F ZINC000153554330 326102076 /nfs/dbraw/zinc/10/20/76/326102076.db2.gz YTVWOYPSSUIPSB-SECBINFHSA-N 1 2 249.305 0.394 20 0 BCADLO CCN(CCOCCO)c1nc(C)[nH+]cc1C ZINC000567036025 326104325 /nfs/dbraw/zinc/10/43/25/326104325.db2.gz YMBNOBWWDFCQKU-UHFFFAOYSA-N 1 2 239.319 0.929 20 0 BCADLO O=C1CCCN1CC[NH2+]Cc1csnn1 ZINC000405337207 326111346 /nfs/dbraw/zinc/11/13/46/326111346.db2.gz JWHIBZAJGLHUER-UHFFFAOYSA-N 1 2 226.305 0.250 20 0 BCADLO COCCCn1nccc1C[NH2+]Cc1cc[nH]n1 ZINC000567143038 326123809 /nfs/dbraw/zinc/12/38/09/326123809.db2.gz HOUIVAXTVOGWQP-UHFFFAOYSA-N 1 2 249.318 0.933 20 0 BCADLO COc1cc(C(=O)NCCn2cc[nH+]c2)on1 ZINC000154573943 326151055 /nfs/dbraw/zinc/15/10/55/326151055.db2.gz BUEAMUJAGHHVDJ-UHFFFAOYSA-N 1 2 236.231 0.310 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000567288310 326156150 /nfs/dbraw/zinc/15/61/50/326156150.db2.gz LYOBZEFGPOCWOX-VIFPVBQESA-N 1 2 228.336 0.604 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000567315020 326159928 /nfs/dbraw/zinc/15/99/28/326159928.db2.gz VUBBAXBLYZKIFI-VIFPVBQESA-N 1 2 224.308 0.632 20 0 BCADLO CC[C@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000567315020 326159932 /nfs/dbraw/zinc/15/99/32/326159932.db2.gz VUBBAXBLYZKIFI-VIFPVBQESA-N 1 2 224.308 0.632 20 0 BCADLO CC(C)c1nc(N[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000309563505 326160766 /nfs/dbraw/zinc/16/07/66/326160766.db2.gz LRLHXIDLAXLXDC-MRVPVSSYSA-N 1 2 220.276 0.900 20 0 BCADLO COCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154869090 326168555 /nfs/dbraw/zinc/16/85/55/326168555.db2.gz GJWRJOLDQBEHRM-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO Cc1nnc(C[NH2+]C(C)(C)C(=O)N(C)C)s1 ZINC000309951805 326176814 /nfs/dbraw/zinc/17/68/14/326176814.db2.gz GIZGTCNUTGXNOA-UHFFFAOYSA-N 1 2 242.348 0.803 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)C1CC1 ZINC000567405207 326184700 /nfs/dbraw/zinc/18/47/00/326184700.db2.gz SQQYQHQJJBEWGP-MRVPVSSYSA-N 1 2 235.287 0.684 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)C1CC1 ZINC000567405207 326184702 /nfs/dbraw/zinc/18/47/02/326184702.db2.gz SQQYQHQJJBEWGP-MRVPVSSYSA-N 1 2 235.287 0.684 20 0 BCADLO CCn1nccc1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000567456183 326195937 /nfs/dbraw/zinc/19/59/37/326195937.db2.gz VDEFUGKHTCAVKB-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000567456183 326195939 /nfs/dbraw/zinc/19/59/39/326195939.db2.gz VDEFUGKHTCAVKB-SNVBAGLBSA-N 1 2 236.319 0.266 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000567536259 326211931 /nfs/dbraw/zinc/21/19/31/326211931.db2.gz ISVMWJATJROHJH-AAEUAGOBSA-N 1 2 249.314 0.646 20 0 BCADLO CCn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000567554775 326215950 /nfs/dbraw/zinc/21/59/50/326215950.db2.gz BULYPHUBFIHERE-UHFFFAOYSA-N 1 2 219.248 0.738 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)N(C)C)[C@H]1C ZINC000156272542 326225645 /nfs/dbraw/zinc/22/56/45/326225645.db2.gz IFUMQRKINSASTQ-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)N(C)C)[C@H]1C ZINC000156272542 326225646 /nfs/dbraw/zinc/22/56/46/326225646.db2.gz IFUMQRKINSASTQ-IUCAKERBSA-N 1 2 200.282 0.184 20 0 BCADLO CC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156293111 326227069 /nfs/dbraw/zinc/22/70/69/326227069.db2.gz GLSLNQHKNBAKMA-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156293111 326227070 /nfs/dbraw/zinc/22/70/70/326227070.db2.gz GLSLNQHKNBAKMA-DTWKUNHWSA-N 1 2 229.276 0.433 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000567611310 326228505 /nfs/dbraw/zinc/22/85/05/326228505.db2.gz XNGIWGDKBWMUTK-IONNQARKSA-N 1 2 243.332 0.420 20 0 BCADLO NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000156694702 326240051 /nfs/dbraw/zinc/24/00/51/326240051.db2.gz OVPGJHGYEIJYLL-UHFFFAOYSA-N 1 2 244.176 0.935 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)C[C@H](C)c1nn[nH]n1 ZINC000567752653 326255430 /nfs/dbraw/zinc/25/54/30/326255430.db2.gz RWQMHBDYRQQWPI-QMMMGPOBSA-N 1 2 247.306 0.846 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000157444978 326275698 /nfs/dbraw/zinc/27/56/98/326275698.db2.gz PALGBSDWOWZWRU-VIFPVBQESA-N 1 2 230.308 0.252 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000157444978 326275696 /nfs/dbraw/zinc/27/56/96/326275696.db2.gz PALGBSDWOWZWRU-VIFPVBQESA-N 1 2 230.308 0.252 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157628939 326287741 /nfs/dbraw/zinc/28/77/41/326287741.db2.gz YMEBPQHJPJYZHR-UHFFFAOYSA-N 1 2 243.351 0.215 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157628939 326287744 /nfs/dbraw/zinc/28/77/44/326287744.db2.gz YMEBPQHJPJYZHR-UHFFFAOYSA-N 1 2 243.351 0.215 20 0 BCADLO COC1(C(=O)NCc2[nH+]ccn2C)CCCC1 ZINC000567993976 326293723 /nfs/dbraw/zinc/29/37/23/326293723.db2.gz RKOCCOQKICCMJF-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1cc[nH]n1 ZINC000568176761 326320620 /nfs/dbraw/zinc/32/06/20/326320620.db2.gz DQMZJVWEDIXRDT-LLVKDONJSA-N 1 2 220.276 0.264 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1cc[nH]n1 ZINC000568176761 326320621 /nfs/dbraw/zinc/32/06/21/326320621.db2.gz DQMZJVWEDIXRDT-LLVKDONJSA-N 1 2 220.276 0.264 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@]23CCNC3=O)nc1 ZINC000568178657 326321224 /nfs/dbraw/zinc/32/12/24/326321224.db2.gz VDBWIDDPDLDFHH-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@]23CCNC3=O)nc1 ZINC000568178657 326321227 /nfs/dbraw/zinc/32/12/27/326321227.db2.gz VDBWIDDPDLDFHH-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000158570660 326329004 /nfs/dbraw/zinc/32/90/04/326329004.db2.gz LBDJJEBXIZNFNN-XXFAHNHDSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000158570660 326329005 /nfs/dbraw/zinc/32/90/05/326329005.db2.gz LBDJJEBXIZNFNN-XXFAHNHDSA-N 1 2 246.376 0.306 20 0 BCADLO c1nnn2c1CN(c1cccc[nH+]1)CC2 ZINC000568246065 326333710 /nfs/dbraw/zinc/33/37/10/326333710.db2.gz DUDBPXBZIHXLMK-UHFFFAOYSA-N 1 2 201.233 0.693 20 0 BCADLO CCOC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000568459815 326357696 /nfs/dbraw/zinc/35/76/96/326357696.db2.gz STWWVUDRIXNYCI-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO Cc1cnn(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000568533358 326364523 /nfs/dbraw/zinc/36/45/23/326364523.db2.gz RQSLYKFSNONZLE-SECBINFHSA-N 1 2 233.275 0.792 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568644575 326370521 /nfs/dbraw/zinc/37/05/21/326370521.db2.gz NGWNOOVVUNWXET-YUMQZZPRSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568644575 326370522 /nfs/dbraw/zinc/37/05/22/326370522.db2.gz NGWNOOVVUNWXET-YUMQZZPRSA-N 1 2 239.275 0.266 20 0 BCADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000568881199 326381002 /nfs/dbraw/zinc/38/10/02/326381002.db2.gz PKJQXYAMIODVCD-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2nncc2C1 ZINC000568879215 326381064 /nfs/dbraw/zinc/38/10/64/326381064.db2.gz IFGRAQHSOLJIGV-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2nncc2C1 ZINC000568879215 326381065 /nfs/dbraw/zinc/38/10/65/326381065.db2.gz IFGRAQHSOLJIGV-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO C[C@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569007681 326386389 /nfs/dbraw/zinc/38/63/89/326386389.db2.gz DYTAFWYAKUVPIH-BDAKNGLRSA-N 1 2 211.265 0.331 20 0 BCADLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000569181581 326393739 /nfs/dbraw/zinc/39/37/39/326393739.db2.gz FYIJLCGEABSTAL-SECBINFHSA-N 1 2 235.324 0.855 20 0 BCADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000569181581 326393740 /nfs/dbraw/zinc/39/37/40/326393740.db2.gz FYIJLCGEABSTAL-SECBINFHSA-N 1 2 235.324 0.855 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](C)OC)C(C)C ZINC000167005082 326438519 /nfs/dbraw/zinc/43/85/19/326438519.db2.gz MGNPKWBKGSZLHE-RKDXNWHRSA-N 1 2 203.282 0.809 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682508817 487973083 /nfs/dbraw/zinc/97/30/83/487973083.db2.gz MAXICDOZBPPIFL-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO O=C(NC1(CO)CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682518848 487974843 /nfs/dbraw/zinc/97/48/43/487974843.db2.gz ABEZGMRZXNVOAF-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO O=C(NC1(CO)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682517029 487974960 /nfs/dbraw/zinc/97/49/60/487974960.db2.gz VJFGASUUEXFXTM-SECBINFHSA-N 1 2 235.287 0.087 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682519624 487975471 /nfs/dbraw/zinc/97/54/71/487975471.db2.gz VPDGIKKOGCWEIS-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1nnccc1C(=O)Nc1cc[nH+]cc1O ZINC000677123969 487976059 /nfs/dbraw/zinc/97/60/59/487976059.db2.gz UONGYXAPQJLILA-UHFFFAOYSA-N 1 2 230.227 0.560 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1cnc[nH]1)OC ZINC000661092766 487977052 /nfs/dbraw/zinc/97/70/52/487977052.db2.gz KPGBLUWVIUSVBN-SNVBAGLBSA-N 1 2 213.281 0.503 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1cnc[nH]1)OC ZINC000661092766 487977054 /nfs/dbraw/zinc/97/70/54/487977054.db2.gz KPGBLUWVIUSVBN-SNVBAGLBSA-N 1 2 213.281 0.503 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2c[nH]nc2C1 ZINC000682532509 487978214 /nfs/dbraw/zinc/97/82/14/487978214.db2.gz YXFVWKZQYCMBKO-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2c[nH]nc2C1 ZINC000682532509 487978219 /nfs/dbraw/zinc/97/82/19/487978219.db2.gz YXFVWKZQYCMBKO-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147994 487979709 /nfs/dbraw/zinc/97/97/09/487979709.db2.gz AUTSKOUSGNTFJS-BDAKNGLRSA-N 1 2 223.276 0.349 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682543440 487982255 /nfs/dbraw/zinc/98/22/55/487982255.db2.gz HJEUSMHRMZFPFE-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO CN(C)C(=O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682543440 487982258 /nfs/dbraw/zinc/98/22/58/487982258.db2.gz HJEUSMHRMZFPFE-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC2CC2)C[C@@H]1C ZINC000677153542 487983776 /nfs/dbraw/zinc/98/37/76/487983776.db2.gz WINUINAFFKPTOD-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC2CC2)C[C@@H]1C ZINC000677153542 487983778 /nfs/dbraw/zinc/98/37/78/487983778.db2.gz WINUINAFFKPTOD-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO COC[C@H](C)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682558188 487989065 /nfs/dbraw/zinc/98/90/65/487989065.db2.gz JYULWPOJVQAIMT-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682558188 487989069 /nfs/dbraw/zinc/98/90/69/487989069.db2.gz JYULWPOJVQAIMT-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO CCN(CC)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081920 487996669 /nfs/dbraw/zinc/99/66/69/487996669.db2.gz ANYCGILOINAOIF-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO CCN(CC)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081920 487996673 /nfs/dbraw/zinc/99/66/73/487996673.db2.gz ANYCGILOINAOIF-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO CCCCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081919 487996709 /nfs/dbraw/zinc/99/67/09/487996709.db2.gz SMMQGYAQEZLVED-UHFFFAOYSA-N 1 2 217.294 0.629 20 0 BCADLO CCCCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081919 487996715 /nfs/dbraw/zinc/99/67/15/487996715.db2.gz SMMQGYAQEZLVED-UHFFFAOYSA-N 1 2 217.294 0.629 20 0 BCADLO Cc1cc(N[C@@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000396694477 487999401 /nfs/dbraw/zinc/99/94/01/487999401.db2.gz QQSSNQBBGVWLRG-VIFPVBQESA-N 1 2 220.276 0.866 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000602916859 488002201 /nfs/dbraw/zinc/00/22/01/488002201.db2.gz WXDUHNCVIYUSMA-NSHDSACASA-N 1 2 229.299 0.850 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000602916859 488002203 /nfs/dbraw/zinc/00/22/03/488002203.db2.gz WXDUHNCVIYUSMA-NSHDSACASA-N 1 2 229.299 0.850 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000682618786 488002421 /nfs/dbraw/zinc/00/24/21/488002421.db2.gz ALBVCHOAIZZQLE-VHSXEESVSA-N 1 2 245.286 0.622 20 0 BCADLO Cc1cnn(C)c1NC(=O)NCCn1cc[nH+]c1 ZINC000667428285 488003742 /nfs/dbraw/zinc/00/37/42/488003742.db2.gz GBENIVRYLPPMTA-UHFFFAOYSA-N 1 2 248.290 0.747 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](C)O ZINC000134905650 488004905 /nfs/dbraw/zinc/00/49/05/488004905.db2.gz FHQOMAPJOWFWRQ-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](C)O ZINC000134905650 488004909 /nfs/dbraw/zinc/00/49/09/488004909.db2.gz FHQOMAPJOWFWRQ-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO O=c1c2c([nH]n1Cc1ccccc1)CC[NH2+]C2 ZINC000140021417 488008360 /nfs/dbraw/zinc/00/83/60/488008360.db2.gz MITREHKJCXKANS-LLVKDONJSA-N 1 2 229.283 0.994 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CON(CC)C2=O)CCS1 ZINC000682678406 488012863 /nfs/dbraw/zinc/01/28/63/488012863.db2.gz SBTFGTMLFOOQHG-NXEZZACHSA-N 1 2 244.360 0.976 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CON(CC)C2=O)CCS1 ZINC000682678406 488012865 /nfs/dbraw/zinc/01/28/65/488012865.db2.gz SBTFGTMLFOOQHG-NXEZZACHSA-N 1 2 244.360 0.976 20 0 BCADLO C[C@]1(O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000235772017 488014109 /nfs/dbraw/zinc/01/41/09/488014109.db2.gz VTNKOHHIDQWGIM-NSHDSACASA-N 1 2 208.261 0.535 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000682688559 488017352 /nfs/dbraw/zinc/01/73/52/488017352.db2.gz YODLKUZZUNMTCK-QWRGUYRKSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000682688557 488017566 /nfs/dbraw/zinc/01/75/66/488017566.db2.gz YODLKUZZUNMTCK-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000159284129 488019637 /nfs/dbraw/zinc/01/96/37/488019637.db2.gz POIKSXZPQBODAO-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCC(F)(F)F ZINC000159284129 488019643 /nfs/dbraw/zinc/01/96/43/488019643.db2.gz POIKSXZPQBODAO-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cnn2c1CCC2 ZINC000667485994 488024070 /nfs/dbraw/zinc/02/40/70/488024070.db2.gz JHKTZKIYTSLOCS-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cnn2c1CCC2 ZINC000667485994 488024081 /nfs/dbraw/zinc/02/40/81/488024081.db2.gz JHKTZKIYTSLOCS-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO COC[C@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000668635836 488035036 /nfs/dbraw/zinc/03/50/36/488035036.db2.gz PHDIQIASGANHNN-JTQLQIEISA-N 1 2 224.260 0.412 20 0 BCADLO CN(CCCO)C(=O)CCCn1cc[nH+]c1 ZINC000669631692 488036256 /nfs/dbraw/zinc/03/62/56/488036256.db2.gz KGPVKPPPRGCHQC-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@@H](CO)O1 ZINC000230020375 488037471 /nfs/dbraw/zinc/03/74/71/488037471.db2.gz NTLFKELRAYIODZ-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@@H](CO)O1 ZINC000230020375 488037476 /nfs/dbraw/zinc/03/74/76/488037476.db2.gz NTLFKELRAYIODZ-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO CC[C@@H](O)CNc1[nH+]cnc(N)c1OC ZINC000230058568 488041491 /nfs/dbraw/zinc/04/14/91/488041491.db2.gz YGXPPZKGPBPEQK-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO CC[C@@H](O)CNc1nc[nH+]c(N)c1OC ZINC000230058568 488041484 /nfs/dbraw/zinc/04/14/84/488041484.db2.gz YGXPPZKGPBPEQK-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)N(C)CCO ZINC000670077561 488054859 /nfs/dbraw/zinc/05/48/59/488054859.db2.gz DZLDJEBWLRXBJO-UHFFFAOYSA-N 1 2 238.291 0.026 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2nccn2C)C1 ZINC000401729612 488056805 /nfs/dbraw/zinc/05/68/05/488056805.db2.gz SXNHKLONXYQORP-GFCCVEGCSA-N 1 2 239.319 0.393 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2nccn2C)C1 ZINC000401729612 488056809 /nfs/dbraw/zinc/05/68/09/488056809.db2.gz SXNHKLONXYQORP-GFCCVEGCSA-N 1 2 239.319 0.393 20 0 BCADLO C[C@@H](CO)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080216 488065124 /nfs/dbraw/zinc/06/51/24/488065124.db2.gz YVTOWOLDVLPEKU-QMMMGPOBSA-N 1 2 238.291 0.072 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2cc(C)on2)C1 ZINC000401776731 488065464 /nfs/dbraw/zinc/06/54/64/488065464.db2.gz DSHIPCBJJOWQDY-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000401776731 488065467 /nfs/dbraw/zinc/06/54/67/488065467.db2.gz DSHIPCBJJOWQDY-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnco1 ZINC000677539164 488066877 /nfs/dbraw/zinc/06/68/77/488066877.db2.gz YGBLPUTXCGQTBP-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnco1 ZINC000677539164 488066881 /nfs/dbraw/zinc/06/68/81/488066881.db2.gz YGBLPUTXCGQTBP-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H](O)CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670082240 488069208 /nfs/dbraw/zinc/06/92/08/488069208.db2.gz CGQHIQLHKCFJLN-MRVPVSSYSA-N 1 2 238.291 0.072 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC000677549619 488069896 /nfs/dbraw/zinc/06/98/96/488069896.db2.gz SMXSXASGXKKCQC-UHFFFAOYSA-N 1 2 239.275 0.079 20 0 BCADLO CO[C@]1(CO)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000401870105 488071791 /nfs/dbraw/zinc/07/17/91/488071791.db2.gz HYLVTUAPVVTLDK-GFCCVEGCSA-N 1 2 237.303 0.763 20 0 BCADLO CC[C@]1(NC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000682978242 488077428 /nfs/dbraw/zinc/07/74/28/488077428.db2.gz VENVYOFRLGZKIJ-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)CC2(C)C)n[nH]1 ZINC000428293935 488080575 /nfs/dbraw/zinc/08/05/75/488080575.db2.gz DDEIVVLKPLWONK-UHFFFAOYSA-N 1 2 223.324 0.639 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)CC2(C)C)n[nH]1 ZINC000428293935 488080585 /nfs/dbraw/zinc/08/05/85/488080585.db2.gz DDEIVVLKPLWONK-UHFFFAOYSA-N 1 2 223.324 0.639 20 0 BCADLO O=S(=O)(CCCF)NCc1[nH]cc[nH+]1 ZINC000677600623 488082603 /nfs/dbraw/zinc/08/26/03/488082603.db2.gz RWJFMVOLTWDXOT-UHFFFAOYSA-N 1 2 221.257 0.189 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1CO ZINC000677647517 488087432 /nfs/dbraw/zinc/08/74/32/488087432.db2.gz HZBORRSIPTWJFH-NSHDSACASA-N 1 2 237.303 0.647 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682508818 488089008 /nfs/dbraw/zinc/08/90/08/488089008.db2.gz MAXICDOZBPPIFL-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO CCn1ccc(NC(=O)NCc2[nH+]ccn2C)n1 ZINC000667696599 488091585 /nfs/dbraw/zinc/09/15/85/488091585.db2.gz BCIXLUFNAXEVNB-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO CC[C@@]1([NH2+]Cc2noc(COC)n2)CCOC1 ZINC000683041860 488093300 /nfs/dbraw/zinc/09/33/00/488093300.db2.gz BQNPPXJTZLWTKO-LLVKDONJSA-N 1 2 241.291 0.875 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000667710519 488097532 /nfs/dbraw/zinc/09/75/32/488097532.db2.gz GVXACYBWYZEIDG-LLVKDONJSA-N 1 2 248.330 0.618 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000667710519 488097538 /nfs/dbraw/zinc/09/75/38/488097538.db2.gz GVXACYBWYZEIDG-LLVKDONJSA-N 1 2 248.330 0.618 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000683029840 488099388 /nfs/dbraw/zinc/09/93/88/488099388.db2.gz OXCJHFPJOQOACP-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000683029840 488099392 /nfs/dbraw/zinc/09/93/92/488099392.db2.gz OXCJHFPJOQOACP-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667759597 488109513 /nfs/dbraw/zinc/10/95/13/488109513.db2.gz PDGYAUZEQKVEHK-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667759597 488109518 /nfs/dbraw/zinc/10/95/18/488109518.db2.gz PDGYAUZEQKVEHK-QMMMGPOBSA-N 1 2 245.286 0.887 20 0 BCADLO O=C1NCC[C@@H]1[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677733779 488111748 /nfs/dbraw/zinc/11/17/48/488111748.db2.gz PXLKEZVMIMCOMR-ZETCQYMHSA-N 1 2 216.231 0.606 20 0 BCADLO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)NC1CC1 ZINC000677736492 488113902 /nfs/dbraw/zinc/11/39/02/488113902.db2.gz RINBORIPAJJWNJ-UHFFFAOYSA-N 1 2 230.258 0.996 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677735616 488114244 /nfs/dbraw/zinc/11/42/44/488114244.db2.gz FHCLEDCRCFESPA-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000677735616 488114246 /nfs/dbraw/zinc/11/42/46/488114246.db2.gz FHCLEDCRCFESPA-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H](O)C2(CC2)C1 ZINC000527004255 488116440 /nfs/dbraw/zinc/11/64/40/488116440.db2.gz UUGNNCQHCSPQEN-JTQLQIEISA-N 1 2 235.287 0.326 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H](O)C2(CC2)C1 ZINC000527004255 488116445 /nfs/dbraw/zinc/11/64/45/488116445.db2.gz UUGNNCQHCSPQEN-JTQLQIEISA-N 1 2 235.287 0.326 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1cncc2ncnn21 ZINC000683190068 488126242 /nfs/dbraw/zinc/12/62/42/488126242.db2.gz LLEXOWLKYGIQTM-UHFFFAOYSA-N 1 2 229.247 0.484 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N)nc1 ZINC000168679327 487537481 /nfs/dbraw/zinc/53/74/81/487537481.db2.gz OCVQQRBIRMSIOO-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N)nc1 ZINC000168679327 487537484 /nfs/dbraw/zinc/53/74/84/487537484.db2.gz OCVQQRBIRMSIOO-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000683223537 488132664 /nfs/dbraw/zinc/13/26/64/488132664.db2.gz LLLZSCCIJFAJRE-UHFFFAOYSA-N 1 2 246.318 0.713 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCc2n[nH]nc2C1 ZINC000683223537 488132667 /nfs/dbraw/zinc/13/26/67/488132667.db2.gz LLLZSCCIJFAJRE-UHFFFAOYSA-N 1 2 246.318 0.713 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1sccc1OC ZINC000668790319 487541269 /nfs/dbraw/zinc/54/12/69/487541269.db2.gz KUHSYHNMKRDXGT-UHFFFAOYSA-N 1 2 228.317 0.935 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1sccc1OC ZINC000668790319 487541274 /nfs/dbraw/zinc/54/12/74/487541274.db2.gz KUHSYHNMKRDXGT-UHFFFAOYSA-N 1 2 228.317 0.935 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCOc1ccccc1 ZINC000168820083 487543204 /nfs/dbraw/zinc/54/32/04/487543204.db2.gz WYNCDJIMEFHPNT-GFCCVEGCSA-N 1 2 237.299 0.759 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCOc1ccccc1 ZINC000168820083 487543210 /nfs/dbraw/zinc/54/32/10/487543210.db2.gz WYNCDJIMEFHPNT-GFCCVEGCSA-N 1 2 237.299 0.759 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccnc1C ZINC000685561274 487543288 /nfs/dbraw/zinc/54/32/88/487543288.db2.gz CCECCDKTGVXFSK-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccnc1C ZINC000685561274 487543290 /nfs/dbraw/zinc/54/32/90/487543290.db2.gz CCECCDKTGVXFSK-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO Cc1cc(N)nc(SC[C@@H]2CCC(=O)N2)[nH+]1 ZINC000220939412 487545566 /nfs/dbraw/zinc/54/55/66/487545566.db2.gz BXXNCPCSOKRRQS-ZETCQYMHSA-N 1 2 238.316 0.738 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cocn1 ZINC000685469342 487531652 /nfs/dbraw/zinc/53/16/52/487531652.db2.gz AZTIBILJWIBJEB-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cocn1 ZINC000685469342 487531657 /nfs/dbraw/zinc/53/16/57/487531657.db2.gz AZTIBILJWIBJEB-MRVPVSSYSA-N 1 2 209.249 0.385 20 0 BCADLO Cc1nnc(NC(=O)CCCn2cc[nH+]c2)n1C ZINC000680274846 487556750 /nfs/dbraw/zinc/55/67/50/487556750.db2.gz ZLWHLYAOXCDOGV-UHFFFAOYSA-N 1 2 248.290 0.739 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000680075118 487533199 /nfs/dbraw/zinc/53/31/99/487533199.db2.gz XXIPLCUBUGWIAY-SFYZADRCSA-N 1 2 227.333 0.913 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000680075118 487533205 /nfs/dbraw/zinc/53/32/05/487533205.db2.gz XXIPLCUBUGWIAY-SFYZADRCSA-N 1 2 227.333 0.913 20 0 BCADLO CN(C)c1cc[nH+]c(NC(=O)c2cnnn2C)c1 ZINC000684980700 487481617 /nfs/dbraw/zinc/48/16/17/487481617.db2.gz PRNLMRXGFUOPEZ-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673927144 487482071 /nfs/dbraw/zinc/48/20/71/487482071.db2.gz PBRBZVCPGJRRNZ-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673927144 487482076 /nfs/dbraw/zinc/48/20/76/487482076.db2.gz PBRBZVCPGJRRNZ-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)NCC1CC1)CC2 ZINC000679869330 487477947 /nfs/dbraw/zinc/47/79/47/487477947.db2.gz MHCCPUIOLIAMMZ-UHFFFAOYSA-N 1 2 248.330 0.533 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000673936059 487484209 /nfs/dbraw/zinc/48/42/09/487484209.db2.gz TZTHTTDSJMXJEA-SSDOTTSWSA-N 1 2 237.259 0.062 20 0 BCADLO Cc1cn2c(n1)CN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000679909108 487484286 /nfs/dbraw/zinc/48/42/86/487484286.db2.gz WSHCLGSGKMOSIB-UHFFFAOYSA-N 1 2 245.286 0.430 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000673935147 487486036 /nfs/dbraw/zinc/48/60/36/487486036.db2.gz KMTOBYDWXDZRAW-MRVPVSSYSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000673935147 487486040 /nfs/dbraw/zinc/48/60/40/487486040.db2.gz KMTOBYDWXDZRAW-MRVPVSSYSA-N 1 2 223.276 0.841 20 0 BCADLO COCC1([N@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC000685002918 487490163 /nfs/dbraw/zinc/49/01/63/487490163.db2.gz CTZSZCUMKCIHLV-UHFFFAOYSA-N 1 2 240.307 0.746 20 0 BCADLO COCC1([N@@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC000685002918 487490166 /nfs/dbraw/zinc/49/01/66/487490166.db2.gz CTZSZCUMKCIHLV-UHFFFAOYSA-N 1 2 240.307 0.746 20 0 BCADLO Cn1nnc(CN2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000685035840 487493431 /nfs/dbraw/zinc/49/34/31/487493431.db2.gz LSRAIHKPISZFAB-SNVBAGLBSA-N 1 2 247.306 0.244 20 0 BCADLO CC[N@@H+](Cc1nnn(C)n1)C[C@H]1CCOC1 ZINC000685034646 487493635 /nfs/dbraw/zinc/49/36/35/487493635.db2.gz XXKHJOAKMHZERX-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CC[N@H+](Cc1nnn(C)n1)C[C@H]1CCOC1 ZINC000685034646 487493639 /nfs/dbraw/zinc/49/36/39/487493639.db2.gz XXKHJOAKMHZERX-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO C[C@@H]1C[N@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000674007604 487496450 /nfs/dbraw/zinc/49/64/50/487496450.db2.gz MTSWOPPPJIGDOZ-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000674007604 487496452 /nfs/dbraw/zinc/49/64/52/487496452.db2.gz MTSWOPPPJIGDOZ-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO Cn1cc(C[NH2+]Cc2[nH]nc3ccccc32)nn1 ZINC000679933906 487497248 /nfs/dbraw/zinc/49/72/48/487497248.db2.gz UBIHGKMVJONDDO-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO C[C@H]1C(=O)N(Cc2ccc[nH+]c2N)C(=O)[C@H]1C ZINC000118378184 487498893 /nfs/dbraw/zinc/49/88/93/487498893.db2.gz MLOUOJWNJLNYDB-OCAPTIKFSA-N 1 2 233.271 0.805 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000674012102 487500095 /nfs/dbraw/zinc/50/00/95/487500095.db2.gz WSKVKDKKLLVICS-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000674012102 487500101 /nfs/dbraw/zinc/50/01/01/487500101.db2.gz WSKVKDKKLLVICS-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO COCC1(O)C[NH+](Cc2cnn3c2CCC3)C1 ZINC000668233524 487505350 /nfs/dbraw/zinc/50/53/50/487505350.db2.gz BAIWPFGBKYDBNB-UHFFFAOYSA-N 1 2 237.303 0.022 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnc2n1CCC2 ZINC000668447883 487769597 /nfs/dbraw/zinc/76/95/97/487769597.db2.gz CXZFPLRWHCNTLY-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COCc1nnc(C[NH2+]C[C@H]2C[C@@H]2C)[nH]1 ZINC000668510166 487866758 /nfs/dbraw/zinc/86/67/58/487866758.db2.gz OFWAKVSXRMTDRR-JGVFFNPUSA-N 1 2 210.281 0.697 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1csnn1)C[C@H](C)O ZINC000682409297 487951535 /nfs/dbraw/zinc/95/15/35/487951535.db2.gz MSQNJJNCBBYOSE-SFYZADRCSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](CO)[N@H+](Cc1csnn1)C[C@H](C)O ZINC000682409297 487951539 /nfs/dbraw/zinc/95/15/39/487951539.db2.gz MSQNJJNCBBYOSE-SFYZADRCSA-N 1 2 231.321 0.102 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CCOC1 ZINC000134924740 488006357 /nfs/dbraw/zinc/00/63/57/488006357.db2.gz HVXLAFBHPBBVKQ-ZCFIWIBFSA-N 1 2 210.237 0.268 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CCOC1 ZINC000134924740 488006360 /nfs/dbraw/zinc/00/63/60/488006360.db2.gz HVXLAFBHPBBVKQ-ZCFIWIBFSA-N 1 2 210.237 0.268 20 0 BCADLO C[C@@H](CNC(=O)c1cnco1)Cn1cc[nH+]c1 ZINC000677555879 488072143 /nfs/dbraw/zinc/07/21/43/488072143.db2.gz XGPQJFGAFMNKSA-VIFPVBQESA-N 1 2 234.259 0.937 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000670107292 488114836 /nfs/dbraw/zinc/11/48/36/488114836.db2.gz WKOJEICNSAZWOZ-ZETCQYMHSA-N 1 2 215.322 0.913 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000670107292 488114838 /nfs/dbraw/zinc/11/48/38/488114838.db2.gz WKOJEICNSAZWOZ-ZETCQYMHSA-N 1 2 215.322 0.913 20 0 BCADLO Cn1cc(CNCc2cn3ccccc3[nH+]2)nn1 ZINC000389841235 488116990 /nfs/dbraw/zinc/11/69/90/488116990.db2.gz VZRVDQVJEDXQSB-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)NC1CC1 ZINC000677884591 488147126 /nfs/dbraw/zinc/14/71/26/488147126.db2.gz RIEDPLSKOZVREA-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)NC1CC1 ZINC000677884591 488147136 /nfs/dbraw/zinc/14/71/36/488147136.db2.gz RIEDPLSKOZVREA-VIFPVBQESA-N 1 2 241.335 0.064 20 0 BCADLO CCc1noc(C[N@H+](CC)CCOCCO)n1 ZINC000379719015 488148307 /nfs/dbraw/zinc/14/83/07/488148307.db2.gz VWGFXZVXOGARKP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1noc(C[N@@H+](CC)CCOCCO)n1 ZINC000379719015 488148313 /nfs/dbraw/zinc/14/83/13/488148313.db2.gz VWGFXZVXOGARKP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO COCCOC1CN(Cc2[nH+]ccn2C)C1 ZINC000667926229 488160299 /nfs/dbraw/zinc/16/02/99/488160299.db2.gz CFMBPDWBSAKGIF-UHFFFAOYSA-N 1 2 225.292 0.267 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccnn2CC)nn1 ZINC000404447203 488160772 /nfs/dbraw/zinc/16/07/72/488160772.db2.gz KGLFCGRBZPMJJK-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO CCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC000678042356 488177334 /nfs/dbraw/zinc/17/73/34/488177334.db2.gz XAKAUFHXHLVYBB-UHFFFAOYSA-N 1 2 248.290 0.384 20 0 BCADLO CCCn1cc(C(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000678041966 488177671 /nfs/dbraw/zinc/17/76/71/488177671.db2.gz PEKDTHUJJZCAFV-UHFFFAOYSA-N 1 2 234.263 0.341 20 0 BCADLO OC[C@@]1([NH2+]Cc2n[nH]c3ccccc32)CCOC1 ZINC000680486163 488195469 /nfs/dbraw/zinc/19/54/69/488195469.db2.gz YMJZCZPTNMZANS-ZDUSSCGKSA-N 1 2 247.298 0.804 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1nccs1 ZINC000179066986 488196202 /nfs/dbraw/zinc/19/62/02/488196202.db2.gz LGZFONDRUMTCLS-BQBZGAKWSA-N 1 2 211.290 0.682 20 0 BCADLO OC[C@]1(F)CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668112497 488205154 /nfs/dbraw/zinc/20/51/54/488205154.db2.gz OJJNOUUUUOEBBE-LBPRGKRZSA-N 1 2 239.294 0.736 20 0 BCADLO CO[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000081462341 488205332 /nfs/dbraw/zinc/20/53/32/488205332.db2.gz WGSVWEMNLRGGFN-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C=Cn1cc(C[N@H+](CC)CC(=O)N(C)C)cn1 ZINC000683696420 488208520 /nfs/dbraw/zinc/20/85/20/488208520.db2.gz VKEULZUYNUGOIB-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)CC(=O)N(C)C)cn1 ZINC000683696420 488208523 /nfs/dbraw/zinc/20/85/23/488208523.db2.gz VKEULZUYNUGOIB-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CCCn1nccc1C[N@H+](CCC)CC(N)=O ZINC000668188747 488217539 /nfs/dbraw/zinc/21/75/39/488217539.db2.gz NMBDVOLWHNFBNQ-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCCn1nccc1C[N@@H+](CCC)CC(N)=O ZINC000668188747 488217542 /nfs/dbraw/zinc/21/75/42/488217542.db2.gz NMBDVOLWHNFBNQ-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000668188852 488217744 /nfs/dbraw/zinc/21/77/44/488217744.db2.gz QVZPIEINBUCFCS-UHFFFAOYSA-N 1 2 236.319 0.527 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000668188852 488217749 /nfs/dbraw/zinc/21/77/49/488217749.db2.gz QVZPIEINBUCFCS-UHFFFAOYSA-N 1 2 236.319 0.527 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000678218259 488219513 /nfs/dbraw/zinc/21/95/13/488219513.db2.gz OGFJZPSMDXAYBG-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000678218259 488219515 /nfs/dbraw/zinc/21/95/15/488219515.db2.gz OGFJZPSMDXAYBG-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000668193634 488219543 /nfs/dbraw/zinc/21/95/43/488219543.db2.gz KKQOWCSQEVIEST-ZJUUUORDSA-N 1 2 237.303 0.851 20 0 BCADLO CC[N@H+](Cc1cn[nH]c1)[C@@H](C)CS(C)(=O)=O ZINC000678267885 488231090 /nfs/dbraw/zinc/23/10/90/488231090.db2.gz MZXAWLPENOAOSR-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO CC[N@@H+](Cc1cn[nH]c1)[C@@H](C)CS(C)(=O)=O ZINC000678267885 488231093 /nfs/dbraw/zinc/23/10/93/488231093.db2.gz MZXAWLPENOAOSR-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)CC1CC1 ZINC000683890488 488237552 /nfs/dbraw/zinc/23/75/52/488237552.db2.gz YGCJBDKRRXIHAL-JTQLQIEISA-N 1 2 237.303 0.240 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000678286024 488237799 /nfs/dbraw/zinc/23/77/99/488237799.db2.gz VDEWVNYOHQDGOX-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000678286024 488237802 /nfs/dbraw/zinc/23/78/02/488237802.db2.gz VDEWVNYOHQDGOX-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO CNC(=O)c1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000683895935 488238761 /nfs/dbraw/zinc/23/87/61/488238761.db2.gz RMKCYTYJSBOICD-UHFFFAOYSA-N 1 2 234.299 0.613 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnc[nH]1 ZINC000672145959 488240735 /nfs/dbraw/zinc/24/07/35/488240735.db2.gz XGIPKBCVXZWSKW-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000672146232 488240920 /nfs/dbraw/zinc/24/09/20/488240920.db2.gz GCFWNQSETRCVLD-ONGXEEELSA-N 1 2 235.287 0.493 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672148209 488241022 /nfs/dbraw/zinc/24/10/22/488241022.db2.gz HQOKGUSUXAHOSW-CMPLNLGQSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCc2cncn2C1 ZINC000672147610 488241055 /nfs/dbraw/zinc/24/10/55/488241055.db2.gz RGVWGTBDXHYONR-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)on1 ZINC000672144894 488241091 /nfs/dbraw/zinc/24/10/91/488241091.db2.gz LVERZLUJQYROAP-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Cc1ccon1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150876 488241499 /nfs/dbraw/zinc/24/14/99/488241499.db2.gz SFEPTIVZOOAWLI-SNVBAGLBSA-N 1 2 246.270 0.545 20 0 BCADLO CC(=O)CCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149472 488241713 /nfs/dbraw/zinc/24/17/13/488241713.db2.gz PKLOWBQJEAOVQN-SNVBAGLBSA-N 1 2 235.287 0.683 20 0 BCADLO CC(=O)CCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149471 488241960 /nfs/dbraw/zinc/24/19/60/488241960.db2.gz PKLOWBQJEAOVQN-JTQLQIEISA-N 1 2 235.287 0.683 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCCO1 ZINC000672149182 488242015 /nfs/dbraw/zinc/24/20/15/488242015.db2.gz IKAUCISUCNPIDZ-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnco1 ZINC000672150629 488242138 /nfs/dbraw/zinc/24/21/38/488242138.db2.gz FEWOOEZXFRMIGZ-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO Cc1nc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)co1 ZINC000672157368 488242477 /nfs/dbraw/zinc/24/24/77/488242477.db2.gz BTMQNPZASIJGJA-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc[nH]1 ZINC000672153510 488242598 /nfs/dbraw/zinc/24/25/98/488242598.db2.gz YXVPUAZLGAJCCK-VIFPVBQESA-N 1 2 230.271 0.956 20 0 BCADLO CC[C@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000678345209 488243991 /nfs/dbraw/zinc/24/39/91/488243991.db2.gz UJOQEOUJZBHBDU-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cn[nH]c1 ZINC000683917649 488244141 /nfs/dbraw/zinc/24/41/41/488244141.db2.gz MNGSDOZBXSEGSN-UHFFFAOYSA-N 1 2 205.221 0.622 20 0 BCADLO Cc1nsc(-n2c[nH+]c(CCCO)c2)n1 ZINC000678399389 488251441 /nfs/dbraw/zinc/25/14/41/488251441.db2.gz GZAFBDAUAYQGQN-UHFFFAOYSA-N 1 2 224.289 0.957 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C)(C)C1 ZINC000684085812 488263852 /nfs/dbraw/zinc/26/38/52/488263852.db2.gz WOSAZGMHVADKLX-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C)(C)C1 ZINC000684085812 488263853 /nfs/dbraw/zinc/26/38/53/488263853.db2.gz WOSAZGMHVADKLX-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCCCCO ZINC000684156147 488270233 /nfs/dbraw/zinc/27/02/33/488270233.db2.gz WVVTWSDDEOQIIT-UHFFFAOYSA-N 1 2 239.319 0.942 20 0 BCADLO C[C@@H]1COCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000673019817 488271337 /nfs/dbraw/zinc/27/13/37/488271337.db2.gz WGYLHKGDJXWNEB-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000678719281 488278481 /nfs/dbraw/zinc/27/84/81/488278481.db2.gz XWBDUEWCGHHTJZ-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000678719281 488278482 /nfs/dbraw/zinc/27/84/82/488278482.db2.gz XWBDUEWCGHHTJZ-QMMMGPOBSA-N 1 2 225.296 0.036 20 0 BCADLO CN(C)C(=O)CN(C)c1cc[nH+]cc1F ZINC000678788690 488283486 /nfs/dbraw/zinc/28/34/86/488283486.db2.gz MTUJFZVENXRZLT-UHFFFAOYSA-N 1 2 211.240 0.745 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000684424888 488311160 /nfs/dbraw/zinc/31/11/60/488311160.db2.gz GYUXPMSLKLLVCY-VIFPVBQESA-N 1 2 235.287 0.660 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000673894164 488311583 /nfs/dbraw/zinc/31/15/83/488311583.db2.gz TVDNNFWLTMXBLP-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000673894164 488311585 /nfs/dbraw/zinc/31/15/85/488311585.db2.gz TVDNNFWLTMXBLP-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000679133047 488311784 /nfs/dbraw/zinc/31/17/84/488311784.db2.gz BTFHWQOSKWKDRL-SECBINFHSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000679133047 488311786 /nfs/dbraw/zinc/31/17/86/488311786.db2.gz BTFHWQOSKWKDRL-SECBINFHSA-N 1 2 241.291 0.419 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000684457401 488315726 /nfs/dbraw/zinc/31/57/26/488315726.db2.gz WGCZUYIPGISJNQ-NSHDSACASA-N 1 2 237.303 0.572 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000684457401 488315727 /nfs/dbraw/zinc/31/57/27/488315727.db2.gz WGCZUYIPGISJNQ-NSHDSACASA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1COCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000684465882 488317043 /nfs/dbraw/zinc/31/70/43/488317043.db2.gz YEJRSUYCDYESGF-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1COCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000684465882 488317044 /nfs/dbraw/zinc/31/70/44/488317044.db2.gz YEJRSUYCDYESGF-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000679216997 488317680 /nfs/dbraw/zinc/31/76/80/488317680.db2.gz JDGSWPRBMFKUKW-PHIMTYICSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000679216997 488317681 /nfs/dbraw/zinc/31/76/81/488317681.db2.gz JDGSWPRBMFKUKW-PHIMTYICSA-N 1 2 242.706 0.663 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@H]1F ZINC000679221327 488319417 /nfs/dbraw/zinc/31/94/17/488319417.db2.gz GIGUNUCAHACFQM-RKDXNWHRSA-N 1 2 243.282 0.218 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1F ZINC000679221327 488319418 /nfs/dbraw/zinc/31/94/18/488319418.db2.gz GIGUNUCAHACFQM-RKDXNWHRSA-N 1 2 243.282 0.218 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226221 488321627 /nfs/dbraw/zinc/32/16/27/488321627.db2.gz ZRIIBSBMGGOQNT-QWRGUYRKSA-N 1 2 246.326 0.819 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226221 488321628 /nfs/dbraw/zinc/32/16/28/488321628.db2.gz ZRIIBSBMGGOQNT-QWRGUYRKSA-N 1 2 246.326 0.819 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC=CCC1 ZINC000679271584 488327621 /nfs/dbraw/zinc/32/76/21/488327621.db2.gz IRLFKXVFCJLCAX-UHFFFAOYSA-N 1 2 220.276 0.855 20 0 BCADLO Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc[nH+]1 ZINC000684603441 488331170 /nfs/dbraw/zinc/33/11/70/488331170.db2.gz YRJVANFQLSYGJY-MNOVXSKESA-N 1 2 237.303 0.842 20 0 BCADLO Cc1cc(NC[C@H](CO)[C@H]2CCOC2)nc[nH+]1 ZINC000684603445 488331200 /nfs/dbraw/zinc/33/12/00/488331200.db2.gz YRJVANFQLSYGJY-WDEREUQCSA-N 1 2 237.303 0.842 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000679345252 488342531 /nfs/dbraw/zinc/34/25/31/488342531.db2.gz QERVEAWLYOWINS-KCJUWKMLSA-N 1 2 236.319 0.990 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679392374 488349636 /nfs/dbraw/zinc/34/96/36/488349636.db2.gz IYXJWORUFCCZMM-UHFFFAOYSA-N 1 2 249.314 0.849 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679679585 488364030 /nfs/dbraw/zinc/36/40/30/488364030.db2.gz UREUVGCWANDUIU-MRVPVSSYSA-N 1 2 236.262 0.826 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679679585 488364031 /nfs/dbraw/zinc/36/40/31/488364031.db2.gz UREUVGCWANDUIU-MRVPVSSYSA-N 1 2 236.262 0.826 20 0 BCADLO CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679842941 488368262 /nfs/dbraw/zinc/36/82/62/488368262.db2.gz IDLPEKFWQXVDAD-UHFFFAOYSA-N 1 2 208.265 0.737 20 0 BCADLO CCc1noc(C[NH2+][C@@](C)(CCO)COC)n1 ZINC000079920765 490058750 /nfs/dbraw/zinc/05/87/50/490058750.db2.gz MVRHFYGCZFGBHU-NSHDSACASA-N 1 2 243.307 0.509 20 0 BCADLO O=C(C[N@@H+]1CC=CCC1)NCC(F)(F)F ZINC000679322089 490113864 /nfs/dbraw/zinc/11/38/64/490113864.db2.gz AIOWVQYCJDJEHG-UHFFFAOYSA-N 1 2 222.210 0.927 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@H](C)[C@H]1O ZINC000661621790 490100715 /nfs/dbraw/zinc/10/07/15/490100715.db2.gz PGMQIXNLFPPUON-JZYVYDRUSA-N 1 2 224.308 0.296 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@H](C)[C@H]1O ZINC000661621790 490100717 /nfs/dbraw/zinc/10/07/17/490100717.db2.gz PGMQIXNLFPPUON-JZYVYDRUSA-N 1 2 224.308 0.296 20 0 BCADLO Cc1nc(NC[C@H](O)COCC2CC2)cc[nH+]1 ZINC000360224153 490102622 /nfs/dbraw/zinc/10/26/22/490102622.db2.gz GFOPDZOZHSNWHI-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@H](C(N)=O)CC2)cc[nH+]1 ZINC000420613479 490102376 /nfs/dbraw/zinc/10/23/76/490102376.db2.gz ZDSWFGFUFCEUNH-PHIMTYICSA-N 1 2 248.330 1.489 20 0 BCADLO O=C(C[N@H+]1CC=CCC1)NCC(F)(F)F ZINC000679322089 490113862 /nfs/dbraw/zinc/11/38/62/490113862.db2.gz AIOWVQYCJDJEHG-UHFFFAOYSA-N 1 2 222.210 0.927 20 0 BCADLO CCc1cc(NC(C)(CO)CO)nc[nH+]1 ZINC000121988259 490115990 /nfs/dbraw/zinc/11/59/90/490115990.db2.gz USILUTLVTLJEFO-UHFFFAOYSA-N 1 2 211.265 0.194 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)nn1 ZINC000661720786 490202838 /nfs/dbraw/zinc/20/28/38/490202838.db2.gz GXNZQAQBZWKWAU-CMPLNLGQSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)nn1 ZINC000661720786 490202848 /nfs/dbraw/zinc/20/28/48/490202848.db2.gz GXNZQAQBZWKWAU-CMPLNLGQSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H](O)CN(C)c1nc[nH+]c(N)c1Cl ZINC000235220195 490247725 /nfs/dbraw/zinc/24/77/25/490247725.db2.gz VSGURSLCDQOXJO-RXMQYKEDSA-N 1 2 216.672 0.529 20 0 BCADLO C[C@@H](O)CN(C)c1[nH+]cnc(N)c1Cl ZINC000235220195 490247736 /nfs/dbraw/zinc/24/77/36/490247736.db2.gz VSGURSLCDQOXJO-RXMQYKEDSA-N 1 2 216.672 0.529 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000092618854 490359298 /nfs/dbraw/zinc/35/92/98/490359298.db2.gz GQLIYMYMNSTRQC-DTWKUNHWSA-N 1 2 222.292 0.863 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000092618854 490359300 /nfs/dbraw/zinc/35/93/00/490359300.db2.gz GQLIYMYMNSTRQC-DTWKUNHWSA-N 1 2 222.292 0.863 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079767654 490461046 /nfs/dbraw/zinc/46/10/46/490461046.db2.gz NSOAFXSMHPSEQT-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079767654 490461049 /nfs/dbraw/zinc/46/10/49/490461049.db2.gz NSOAFXSMHPSEQT-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079769831 490464144 /nfs/dbraw/zinc/46/41/44/490464144.db2.gz CVIPIHKEMXPLKS-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079769831 490464149 /nfs/dbraw/zinc/46/41/49/490464149.db2.gz CVIPIHKEMXPLKS-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H](NC(=O)c1ccon1)[C@@H]1C[N@H+](C)CCO1 ZINC000127039670 490533953 /nfs/dbraw/zinc/53/39/53/490533953.db2.gz ZDCYQURSSUUING-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1ccon1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127039670 490533956 /nfs/dbraw/zinc/53/39/56/490533956.db2.gz ZDCYQURSSUUING-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)[C@H]1C[N@H+](C)CCO1 ZINC000127040351 490534062 /nfs/dbraw/zinc/53/40/62/490534062.db2.gz ZDCYQURSSUUING-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)[C@H]1C[N@@H+](C)CCO1 ZINC000127040351 490534065 /nfs/dbraw/zinc/53/40/65/490534065.db2.gz ZDCYQURSSUUING-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO CCc1cc(N[C@@H](CO)CCOC)nc[nH+]1 ZINC000300917513 490573227 /nfs/dbraw/zinc/57/32/27/490573227.db2.gz SSLSACUSPZZRFA-SNVBAGLBSA-N 1 2 225.292 0.848 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cn[nH]c1 ZINC000085824904 491053503 /nfs/dbraw/zinc/05/35/03/491053503.db2.gz QNPSHPUSDSGMSB-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cn[nH]c1 ZINC000085824904 491053504 /nfs/dbraw/zinc/05/35/04/491053504.db2.gz QNPSHPUSDSGMSB-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)CC[C@H]2C)no1 ZINC000399325668 491061453 /nfs/dbraw/zinc/06/14/53/491061453.db2.gz WWKMAYJXLQQEKE-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)CC[C@H]2C)no1 ZINC000399325668 491061454 /nfs/dbraw/zinc/06/14/54/491061454.db2.gz WWKMAYJXLQQEKE-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO CCc1cc(NC[C@]2(O)CCO[C@H]2C)nc[nH+]1 ZINC000228008829 491086856 /nfs/dbraw/zinc/08/68/56/491086856.db2.gz LJHBMASYLOCVPE-JOYOIKCWSA-N 1 2 237.303 0.991 20 0 BCADLO CC(C)n1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000232798581 491102365 /nfs/dbraw/zinc/10/23/65/491102365.db2.gz UOTVLSGSZDYSQO-QWRGUYRKSA-N 1 2 225.292 0.001 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000088619609 491107240 /nfs/dbraw/zinc/10/72/40/491107240.db2.gz ONZXZVQDIDRDDT-LLVKDONJSA-N 1 2 238.335 0.892 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000088619609 491107241 /nfs/dbraw/zinc/10/72/41/491107241.db2.gz ONZXZVQDIDRDDT-LLVKDONJSA-N 1 2 238.335 0.892 20 0 BCADLO Cc1nc(NCCCc2ncnn2C)cc[nH+]1 ZINC000641645852 491108592 /nfs/dbraw/zinc/10/85/92/491108592.db2.gz PZIDHXNXWRHTFM-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO Cc1nc(NCCC2CC(O)C2)cc[nH+]1 ZINC000336655720 491108601 /nfs/dbraw/zinc/10/86/01/491108601.db2.gz ACTISSSIPQUQRU-UHFFFAOYSA-N 1 2 207.277 1.358 20 0 BCADLO Cc1nc(NC[C@@H](CO)C2CC2)cc[nH+]1 ZINC000336735429 491108617 /nfs/dbraw/zinc/10/86/17/491108617.db2.gz OEKDQBCWIKDHLL-JTQLQIEISA-N 1 2 207.277 1.215 20 0 BCADLO O=C1CCC(=O)N1CCNc1cccc[nH+]1 ZINC000077169346 491125690 /nfs/dbraw/zinc/12/56/90/491125690.db2.gz PEMYVBQEEFXLQD-UHFFFAOYSA-N 1 2 219.244 0.643 20 0 BCADLO CCn1nccc1C(=O)NCCc1c[nH+]cn1C ZINC000132070073 491134023 /nfs/dbraw/zinc/13/40/23/491134023.db2.gz KMVQDRFKXMNRHG-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO O=C(C[NH2+]Cc1nccs1)NCC1CC1 ZINC000308688431 491137769 /nfs/dbraw/zinc/13/77/69/491137769.db2.gz DBWMLKBFDCODRN-UHFFFAOYSA-N 1 2 225.317 0.759 20 0 BCADLO Cn1ncnc1C[N@H+](CCCO)C1CC1 ZINC000308744079 491137892 /nfs/dbraw/zinc/13/78/92/491137892.db2.gz GCGGIZFWLLTMQR-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@@H+](CCCO)C1CC1 ZINC000308744079 491137893 /nfs/dbraw/zinc/13/78/93/491137893.db2.gz GCGGIZFWLLTMQR-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNC(=O)CO ZINC000890852655 582580630 /nfs/dbraw/zinc/58/06/30/582580630.db2.gz BAWQDPHTILCPCR-UHFFFAOYSA-N 1 2 219.244 0.251 20 0 BCADLO O=C(NC/C=C\Cl)C1([NH+]2CCOCC2)CC1 ZINC000891199635 582625451 /nfs/dbraw/zinc/62/54/51/582625451.db2.gz CKSORWGIOSOJQW-RJRFIUFISA-N 1 2 244.722 0.720 20 0 BCADLO Cc1c(CNC(=O)/C=C/c2[nH]cc[nH+]2)cnn1C ZINC000493297783 533847730 /nfs/dbraw/zinc/84/77/30/533847730.db2.gz XYQLFCZNBXNXRV-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)c1cccc(CO)c1 ZINC000494386651 533950026 /nfs/dbraw/zinc/95/00/26/533950026.db2.gz PPKDBCZFXILQGZ-VIFPVBQESA-N 1 2 247.302 0.553 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000401593851 533984616 /nfs/dbraw/zinc/98/46/16/533984616.db2.gz TXYLJZCUVAJBEN-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2[nH+]cnc(N)c2Cl)C1 ZINC000401593851 533984622 /nfs/dbraw/zinc/98/46/22/533984622.db2.gz TXYLJZCUVAJBEN-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO COC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000493935615 534005584 /nfs/dbraw/zinc/00/55/84/534005584.db2.gz RKPCJAQZMRZXHP-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnsn1 ZINC000846798610 582665664 /nfs/dbraw/zinc/66/56/64/582665664.db2.gz KQGHHWSRXWTJLM-YUMQZZPRSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnsn1 ZINC000846798610 582665667 /nfs/dbraw/zinc/66/56/67/582665667.db2.gz KQGHHWSRXWTJLM-YUMQZZPRSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@@H]1NC(=O)CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815561 534098006 /nfs/dbraw/zinc/09/80/06/534098006.db2.gz XODTVUSTIFKOFB-LDWTZJGPSA-N 1 2 248.286 0.206 20 0 BCADLO COC(=O)[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493671595 534223112 /nfs/dbraw/zinc/22/31/12/534223112.db2.gz BKVILEXHAUMRRJ-PULIVWKDSA-N 1 2 237.259 0.443 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493666046 534228055 /nfs/dbraw/zinc/22/80/55/534228055.db2.gz VDCCKYOZEHDCRT-KFOINNEUSA-N 1 2 223.232 0.101 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C[C@H]2CN(C)C(=O)O2)CCN1C ZINC000495656864 534249676 /nfs/dbraw/zinc/24/96/76/534249676.db2.gz ZEANZNMTNWYXEZ-OUAUKWLOSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C[C@H]2CN(C)C(=O)O2)CCN1C ZINC000495656864 534249678 /nfs/dbraw/zinc/24/96/78/534249678.db2.gz ZEANZNMTNWYXEZ-OUAUKWLOSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1=O ZINC000493403897 534272751 /nfs/dbraw/zinc/27/27/51/534272751.db2.gz RFVGKPUUIBOHAK-KXMPLOMGSA-N 1 2 235.243 0.245 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1O ZINC000492889682 534276942 /nfs/dbraw/zinc/27/69/42/534276942.db2.gz BBICYNLCHUJNRE-NWRGJWMSSA-N 1 2 235.287 0.652 20 0 BCADLO CCc1nc(N2CCn3cnnc3C2)cc(C)[nH+]1 ZINC000287500628 536125615 /nfs/dbraw/zinc/12/56/15/536125615.db2.gz UNJCZJOODZZYKG-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO OC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1CO ZINC000528110590 518203385 /nfs/dbraw/zinc/20/33/85/518203385.db2.gz XZPYLYMJMMKUFB-UWVGGRQHSA-N 1 2 247.298 0.600 20 0 BCADLO Oc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000892066843 582783453 /nfs/dbraw/zinc/78/34/53/582783453.db2.gz XYFQJSJTHJNBHT-PHIMTYICSA-N 1 2 243.690 0.583 20 0 BCADLO Oc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000892066843 582783455 /nfs/dbraw/zinc/78/34/55/582783455.db2.gz XYFQJSJTHJNBHT-PHIMTYICSA-N 1 2 243.690 0.583 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000348127431 534393365 /nfs/dbraw/zinc/39/33/65/534393365.db2.gz RXOVRZBOKLMDIP-IEVXNVSRSA-N 1 2 246.376 0.354 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000348127431 534393372 /nfs/dbraw/zinc/39/33/72/534393372.db2.gz RXOVRZBOKLMDIP-IEVXNVSRSA-N 1 2 246.376 0.354 20 0 BCADLO O=C(COC(F)F)NCCNc1cccc[nH+]1 ZINC000479446528 534604694 /nfs/dbraw/zinc/60/46/94/534604694.db2.gz WDHRWDHMAGAHOD-UHFFFAOYSA-N 1 2 245.229 0.849 20 0 BCADLO CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301226524 534664818 /nfs/dbraw/zinc/66/48/18/534664818.db2.gz GGVDGQKTCQTEQW-NSHDSACASA-N 1 2 234.303 0.890 20 0 BCADLO CCn1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000020349897 523383427 /nfs/dbraw/zinc/38/34/27/523383427.db2.gz QQRBDZXGWCYTCI-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO Cn1cccc(NC(=O)/C=C/c2c[nH+]c[nH]2)c1=O ZINC000492758430 534778092 /nfs/dbraw/zinc/77/80/92/534778092.db2.gz ALAGNZUQDKLOGA-SNAWJCMRSA-N 1 2 244.254 0.760 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NN1CCCCC1 ZINC000493243930 534803443 /nfs/dbraw/zinc/80/34/43/534803443.db2.gz YHOQHCKZAHUSQN-PLNGDYQASA-N 1 2 220.276 0.940 20 0 BCADLO O=C1OCC[C@@H]2C[N@H+](CCF)CCN12 ZINC000494136652 534809886 /nfs/dbraw/zinc/80/98/86/534809886.db2.gz ZIDURRNDFDSNBA-MRVPVSSYSA-N 1 2 202.229 0.482 20 0 BCADLO O=C1OCC[C@@H]2C[N@@H+](CCF)CCN12 ZINC000494136652 534809890 /nfs/dbraw/zinc/80/98/90/534809890.db2.gz ZIDURRNDFDSNBA-MRVPVSSYSA-N 1 2 202.229 0.482 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000493426477 534817737 /nfs/dbraw/zinc/81/77/37/534817737.db2.gz NOHIWVZUBVCCHX-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000493426477 534817738 /nfs/dbraw/zinc/81/77/38/534817738.db2.gz NOHIWVZUBVCCHX-NSHDSACASA-N 1 2 233.271 0.718 20 0 BCADLO CC[S@@](=O)CCNc1nccn2c[nH+]cc12 ZINC000892451657 582889517 /nfs/dbraw/zinc/88/95/17/582889517.db2.gz ABPKQWANNHMUOI-MRXNPFEDSA-N 1 2 238.316 0.910 20 0 BCADLO CC(C)c1nc(N2CC[C@H](NC(N)=O)C2)cc[nH+]1 ZINC000342801349 534910618 /nfs/dbraw/zinc/91/06/18/534910618.db2.gz XVBDAQDWMJMVIF-VIFPVBQESA-N 1 2 249.318 0.847 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000335317294 536437179 /nfs/dbraw/zinc/43/71/79/536437179.db2.gz SKXHDAVUUAAJNY-DTWKUNHWSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000335317294 536437180 /nfs/dbraw/zinc/43/71/80/536437180.db2.gz SKXHDAVUUAAJNY-DTWKUNHWSA-N 1 2 238.253 0.954 20 0 BCADLO CC(C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493479333 527346858 /nfs/dbraw/zinc/34/68/58/527346858.db2.gz IQHAXJAICSEFQW-ONEGZZNKSA-N 1 2 209.249 0.310 20 0 BCADLO CC1(C)C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493562419 527729259 /nfs/dbraw/zinc/72/92/59/527729259.db2.gz UOTBXEDZSKJMFP-TYRPZCRBSA-N 1 2 249.270 0.633 20 0 BCADLO CCN1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493374240 527906562 /nfs/dbraw/zinc/90/65/62/527906562.db2.gz WJXKGDSMIUSHAF-ARJAWSKDSA-N 1 2 234.259 0.071 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493868687 527942818 /nfs/dbraw/zinc/94/28/18/527942818.db2.gz PIFHZHBGVAVTDQ-ITKZLYELSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493819583 527957622 /nfs/dbraw/zinc/95/76/22/527957622.db2.gz JZSFGBNZVRPVAM-QMAVJUDZSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)OCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493323984 527982617 /nfs/dbraw/zinc/98/26/17/527982617.db2.gz PQWOZPJZGYIGBT-ONEGZZNKSA-N 1 2 239.275 0.896 20 0 BCADLO CCC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493580516 528315990 /nfs/dbraw/zinc/31/59/90/528315990.db2.gz IIQAOAWHISTCLN-ARJAWSKDSA-N 1 2 248.286 0.461 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492898969 528472677 /nfs/dbraw/zinc/47/26/77/528472677.db2.gz LMNKWMUWUPFXHW-UMBAGQNISA-N 1 2 223.276 0.556 20 0 BCADLO CCO/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000492883268 528477633 /nfs/dbraw/zinc/47/76/33/528477633.db2.gz WNFMWDUZURPEDJ-RUDMXATFSA-N 1 2 223.276 0.940 20 0 BCADLO CCO/C=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000493595047 528493916 /nfs/dbraw/zinc/49/39/16/528493916.db2.gz SGJFKGPITXQXLR-TZOMUSMUSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000493570168 528523571 /nfs/dbraw/zinc/52/35/71/528523571.db2.gz XVPAMZIJRVVKQV-LAUIRUGDSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000493570168 528523579 /nfs/dbraw/zinc/52/35/79/528523579.db2.gz XVPAMZIJRVVKQV-LAUIRUGDSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000493152421 528538922 /nfs/dbraw/zinc/53/89/22/528538922.db2.gz ATOYEWZBCIIOLD-PENHIPQLSA-N 1 2 235.287 0.864 20 0 BCADLO CCCCOCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174747931 528575673 /nfs/dbraw/zinc/57/56/73/528575673.db2.gz OWRDTPCEHVPJCH-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO CCOCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814641 528702654 /nfs/dbraw/zinc/70/26/54/528702654.db2.gz UZYKKXDQYZJKME-PLNGDYQASA-N 1 2 223.276 0.918 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493868690 528861504 /nfs/dbraw/zinc/86/15/04/528861504.db2.gz PIFHZHBGVAVTDQ-ZYOFXKKJSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493819582 528872341 /nfs/dbraw/zinc/87/23/41/528872341.db2.gz JZSFGBNZVRPVAM-ITKZLYELSA-N 1 2 237.303 0.946 20 0 BCADLO CCOC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493373925 528953846 /nfs/dbraw/zinc/95/38/46/528953846.db2.gz VRDPTWJTDGCVEH-MOVJSRMASA-N 1 2 223.276 0.964 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493449280 528983033 /nfs/dbraw/zinc/98/30/33/528983033.db2.gz JYJUGJPJEKIYPF-XOULXFPDSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493148832 529021700 /nfs/dbraw/zinc/02/17/00/529021700.db2.gz JGJYXPJKZJZQQN-FSIBCCDJSA-N 1 2 237.303 0.804 20 0 BCADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000493469816 529061338 /nfs/dbraw/zinc/06/13/38/529061338.db2.gz YAQMCGSCOWUXTN-UMBAGQNISA-N 1 2 235.287 0.652 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](C[C@H](C)O)C1 ZINC000496573720 529140010 /nfs/dbraw/zinc/14/00/10/529140010.db2.gz SZVDMKWKCYNIAL-QMMMGPOBSA-N 1 2 216.281 0.186 20 0 BCADLO CC[C@@H](O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493246378 529220870 /nfs/dbraw/zinc/22/08/70/529220870.db2.gz BIOUNDCKGLNQSC-CDAZIORVSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@@H]1CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000487529642 529329137 /nfs/dbraw/zinc/32/91/37/529329137.db2.gz AJBLKTXSULWWBL-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO CC[C@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858235 529363651 /nfs/dbraw/zinc/36/36/51/529363651.db2.gz FMOZXRLWRNGPJG-DOGVGXBMSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)(CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC000348444379 534992104 /nfs/dbraw/zinc/99/21/04/534992104.db2.gz YQDHHWVYYKTDOU-UHFFFAOYSA-N 1 2 238.291 0.043 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC[C@@H](C)O ZINC000173821992 535165089 /nfs/dbraw/zinc/16/50/89/535165089.db2.gz NPOMZLOQZUVBKT-SECBINFHSA-N 1 2 227.312 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC[C@@H](C)O ZINC000173821992 535165092 /nfs/dbraw/zinc/16/50/92/535165092.db2.gz NPOMZLOQZUVBKT-SECBINFHSA-N 1 2 227.312 0.457 20 0 BCADLO CCCOCC(=O)NCCCn1cc[nH+]c1 ZINC000065504394 535225973 /nfs/dbraw/zinc/22/59/73/535225973.db2.gz VYOYOUBLJLXFOZ-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000336120869 535244559 /nfs/dbraw/zinc/24/45/59/535244559.db2.gz MYUKFEGZIWVWGJ-QWRGUYRKSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000336120869 535244564 /nfs/dbraw/zinc/24/45/64/535244564.db2.gz MYUKFEGZIWVWGJ-QWRGUYRKSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000351093023 535261206 /nfs/dbraw/zinc/26/12/06/535261206.db2.gz AHJUYYLQUZHQPX-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000351093023 535261213 /nfs/dbraw/zinc/26/12/13/535261213.db2.gz AHJUYYLQUZHQPX-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C[C@@H](C)O ZINC000352228955 535391273 /nfs/dbraw/zinc/39/12/73/535391273.db2.gz BNONCEJDJPPRSS-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)C[C@@H](C)O ZINC000352228955 535391275 /nfs/dbraw/zinc/39/12/75/535391275.db2.gz BNONCEJDJPPRSS-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000351920617 535435025 /nfs/dbraw/zinc/43/50/25/535435025.db2.gz DLJAXDMUXPAYQA-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO CCOCCC[NH2+][C@@H](CC)C(=O)OC ZINC000168234834 535550379 /nfs/dbraw/zinc/55/03/79/535550379.db2.gz FVOCPZLQWZOETE-VIFPVBQESA-N 1 2 203.282 0.954 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CC[C@@H](C)O ZINC000219861145 535643279 /nfs/dbraw/zinc/64/32/79/535643279.db2.gz DFSUMFJQXHYPNH-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CC[C@@H](C)O ZINC000219861145 535643287 /nfs/dbraw/zinc/64/32/87/535643287.db2.gz DFSUMFJQXHYPNH-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348843819 535715347 /nfs/dbraw/zinc/71/53/47/535715347.db2.gz QUCZDPHGZWXMGL-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348843819 535715350 /nfs/dbraw/zinc/71/53/50/535715350.db2.gz QUCZDPHGZWXMGL-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CC[NH+]1CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000180404724 535723018 /nfs/dbraw/zinc/72/30/18/535723018.db2.gz UZIGFWJVPMIUOX-UHFFFAOYSA-N 1 2 235.335 0.820 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@@H](COC)C1)OCC ZINC000185346864 535736548 /nfs/dbraw/zinc/73/65/48/535736548.db2.gz OKYBYEPDCLXNNK-LLVKDONJSA-N 1 2 247.335 0.733 20 0 BCADLO CCOC(C[N@H+]1CCO[C@@H](COC)C1)OCC ZINC000185346864 535736552 /nfs/dbraw/zinc/73/65/52/535736552.db2.gz OKYBYEPDCLXNNK-LLVKDONJSA-N 1 2 247.335 0.733 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(=O)OC ZINC000168368073 535808168 /nfs/dbraw/zinc/80/81/68/535808168.db2.gz ZZMMAFMRCCNWJD-RKDXNWHRSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CCC1 ZINC000334385205 536062805 /nfs/dbraw/zinc/06/28/05/536062805.db2.gz MTVGINMZQPUTSK-LBPRGKRZSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CCC1 ZINC000334385205 536062809 /nfs/dbraw/zinc/06/28/09/536062809.db2.gz MTVGINMZQPUTSK-LBPRGKRZSA-N 1 2 226.320 0.720 20 0 BCADLO CCn1ccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000335555772 536095972 /nfs/dbraw/zinc/09/59/72/536095972.db2.gz XLXMJEFGPLAQAB-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO C[N@H+](CCCCCO)Cc1nnnn1C1CC1 ZINC000227120035 536332864 /nfs/dbraw/zinc/33/28/64/536332864.db2.gz OHSZJICCKXHLAX-UHFFFAOYSA-N 1 2 239.323 0.602 20 0 BCADLO C[N@@H+](CCCCCO)Cc1nnnn1C1CC1 ZINC000227120035 536332865 /nfs/dbraw/zinc/33/28/65/536332865.db2.gz OHSZJICCKXHLAX-UHFFFAOYSA-N 1 2 239.323 0.602 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782631229 582928704 /nfs/dbraw/zinc/92/87/04/582928704.db2.gz FRUYXECFYYCWAA-WCBMZHEXSA-N 1 2 209.249 0.192 20 0 BCADLO Cc1noc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782631229 582928706 /nfs/dbraw/zinc/92/87/06/582928706.db2.gz FRUYXECFYYCWAA-WCBMZHEXSA-N 1 2 209.249 0.192 20 0 BCADLO C[NH+]1CCN(c2ncc(C=O)cn2)CC1 ZINC000054855224 536426135 /nfs/dbraw/zinc/42/61/35/536426135.db2.gz UTMACIFKHRQZSG-UHFFFAOYSA-N 1 2 206.249 0.041 20 0 BCADLO COC[C@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342782244 536589521 /nfs/dbraw/zinc/58/95/21/536589521.db2.gz OMTFIBSEVOBYFG-LLVKDONJSA-N 1 2 239.319 0.576 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnnn2C)CC[C@@H]1C ZINC000342728590 536767903 /nfs/dbraw/zinc/76/79/03/536767903.db2.gz WZHUEHZFSXGWCD-IUCAKERBSA-N 1 2 225.296 0.067 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnnn2C)CC[C@@H]1C ZINC000342728590 536767904 /nfs/dbraw/zinc/76/79/04/536767904.db2.gz WZHUEHZFSXGWCD-IUCAKERBSA-N 1 2 225.296 0.067 20 0 BCADLO Cn1nnc(C[N@H+](C[C@H]2CCOC2)C2CC2)n1 ZINC000194432265 566492674 /nfs/dbraw/zinc/49/26/74/566492674.db2.gz GMRKYDHGYMVGQY-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnc(C[N@@H+](C[C@H]2CCOC2)C2CC2)n1 ZINC000194432265 566492680 /nfs/dbraw/zinc/49/26/80/566492680.db2.gz GMRKYDHGYMVGQY-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO CN(C)c1cc(N[C@H]2CCOC2)[nH+]cn1 ZINC000892954106 583018400 /nfs/dbraw/zinc/01/84/00/583018400.db2.gz SFQTUYQDWVHBTR-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CN(C)c1cc(N[C@H]2CCOC2)nc[nH+]1 ZINC000892954106 583018402 /nfs/dbraw/zinc/01/84/02/583018402.db2.gz SFQTUYQDWVHBTR-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO COCCOC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000893313908 583097848 /nfs/dbraw/zinc/09/78/48/583097848.db2.gz JYJLQXQKZBCZQM-NSHDSACASA-N 1 2 245.319 0.485 20 0 BCADLO CCOC1C[NH+](C[C@H](O)c2ccccn2)C1 ZINC000853063947 588718393 /nfs/dbraw/zinc/71/83/93/588718393.db2.gz GRNNHMBRGSHDKT-LBPRGKRZSA-N 1 2 222.288 0.836 20 0 BCADLO COC1(C)C[NH+](C[C@H](O)c2ccccn2)C1 ZINC000853063343 588718480 /nfs/dbraw/zinc/71/84/80/588718480.db2.gz DPQMSEZVXITTMC-NSHDSACASA-N 1 2 222.288 0.836 20 0 BCADLO C[C@H]1C[N@H+](CCNc2cc(F)ncn2)CCO1 ZINC000853250939 588729477 /nfs/dbraw/zinc/72/94/77/588729477.db2.gz HBQJOFCQWRVBFE-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2cc(F)ncn2)CCO1 ZINC000853250939 588729478 /nfs/dbraw/zinc/72/94/78/588729478.db2.gz HBQJOFCQWRVBFE-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cnc(F)cn1 ZINC000853258396 588729838 /nfs/dbraw/zinc/72/98/38/588729838.db2.gz NWJSHGNTTIFOHB-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c(=O)o1 ZINC000853487049 588745606 /nfs/dbraw/zinc/74/56/06/588745606.db2.gz IEWXVHUIDGBENJ-QMMMGPOBSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H](C)C2)c(=O)o1 ZINC000853487049 588745607 /nfs/dbraw/zinc/74/56/07/588745607.db2.gz IEWXVHUIDGBENJ-QMMMGPOBSA-N 1 2 211.265 0.834 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cn1nc(C)oc1=O ZINC000853500396 588746460 /nfs/dbraw/zinc/74/64/60/588746460.db2.gz JVSXPAMOOXOUIQ-VIFPVBQESA-N 1 2 227.264 0.213 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cn1nc(C)oc1=O ZINC000853500396 588746461 /nfs/dbraw/zinc/74/64/61/588746461.db2.gz JVSXPAMOOXOUIQ-VIFPVBQESA-N 1 2 227.264 0.213 20 0 BCADLO Cc1nn(C[N@H+]2CCSCC[C@@H]2C)c(=O)o1 ZINC000853509375 588746686 /nfs/dbraw/zinc/74/66/86/588746686.db2.gz YVSYWWZKLGTICQ-QMMMGPOBSA-N 1 2 243.332 0.930 20 0 BCADLO Cc1nn(C[N@@H+]2CCSCC[C@@H]2C)c(=O)o1 ZINC000853509375 588746687 /nfs/dbraw/zinc/74/66/87/588746687.db2.gz YVSYWWZKLGTICQ-QMMMGPOBSA-N 1 2 243.332 0.930 20 0 BCADLO O=C(C[NH2+]Cc1ncc[nH]1)NC1CCCCC1 ZINC000111399964 588747823 /nfs/dbraw/zinc/74/78/23/588747823.db2.gz UHOPEHOJNVWERI-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO C[C@H]1CCN(C[N@H+](C)C[C@H]2COCCO2)C1=O ZINC000853557005 588748986 /nfs/dbraw/zinc/74/89/86/588748986.db2.gz HHMPAKPMPIYUTN-QWRGUYRKSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@H]1CCN(C[N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000853557005 588748987 /nfs/dbraw/zinc/74/89/87/588748987.db2.gz HHMPAKPMPIYUTN-QWRGUYRKSA-N 1 2 242.319 0.160 20 0 BCADLO O=c1n2ccccc2nn1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853577264 588749435 /nfs/dbraw/zinc/74/94/35/588749435.db2.gz HQZYYZBWGRZPOS-GHMZBOCLSA-N 1 2 244.298 0.795 20 0 BCADLO O=c1n2ccccc2nn1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853577264 588749436 /nfs/dbraw/zinc/74/94/36/588749436.db2.gz HQZYYZBWGRZPOS-GHMZBOCLSA-N 1 2 244.298 0.795 20 0 BCADLO CCN1CC[C@H](O[NH+]=C(N)[C@@H](C)OC)C1=O ZINC000853673992 588754577 /nfs/dbraw/zinc/75/45/77/588754577.db2.gz OFLPLPSHWCKJPG-SFYZADRCSA-N 1 2 229.280 0.141 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCC1(O)CCC1 ZINC000853674149 588754889 /nfs/dbraw/zinc/75/48/89/588754889.db2.gz SRVVMSAJIJKFTA-MRVPVSSYSA-N 1 2 216.281 0.825 20 0 BCADLO COC(=O)C1(CO[NH+]=C(N)[C@H](C)OC)CC1 ZINC000853674155 588754966 /nfs/dbraw/zinc/75/49/66/588754966.db2.gz SUTOIDRMUFLWSY-ZETCQYMHSA-N 1 2 230.264 0.473 20 0 BCADLO Cc1cc(NCCS(=O)(=O)C2CC2)nc[nH+]1 ZINC000853690562 588756751 /nfs/dbraw/zinc/75/67/51/588756751.db2.gz OIXAHYDYNZGCKE-UHFFFAOYSA-N 1 2 241.316 0.774 20 0 BCADLO CCONC(=O)CNc1cc(CO)cc(C)[nH+]1 ZINC000853714047 588758799 /nfs/dbraw/zinc/75/87/99/588758799.db2.gz XDNPLSPRRRRDHN-UHFFFAOYSA-N 1 2 239.275 0.362 20 0 BCADLO CCc1cc(NCCN(C)OC)nc[nH+]1 ZINC000853740306 588760840 /nfs/dbraw/zinc/76/08/40/588760840.db2.gz WCZRREPFNZQCIW-UHFFFAOYSA-N 1 2 210.281 0.944 20 0 BCADLO C[C@H]1CN(C(=O)c2cncc(O)c2)CC[N@@H+]1C ZINC000111740195 588769390 /nfs/dbraw/zinc/76/93/90/588769390.db2.gz RMCTWZQLIUYNPA-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO C[C@H]1CN(C(=O)c2cncc(O)c2)CC[N@H+]1C ZINC000111740195 588769391 /nfs/dbraw/zinc/76/93/91/588769391.db2.gz RMCTWZQLIUYNPA-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO Cc1nccnc1C(=O)OCCc1c[nH+]cn1C ZINC000853935530 588769677 /nfs/dbraw/zinc/76/96/77/588769677.db2.gz DSYQHYPYZXJNMR-UHFFFAOYSA-N 1 2 246.270 0.918 20 0 BCADLO Cn1cc(C(=O)NCCCn2cc[nH+]c2)[nH]c1=O ZINC000854139843 588776475 /nfs/dbraw/zinc/77/64/75/588776475.db2.gz OITZUIRVJDFPAY-UHFFFAOYSA-N 1 2 249.274 0.142 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC(F)(F)C1 ZINC000854490648 588789559 /nfs/dbraw/zinc/78/95/59/588789559.db2.gz PJBKYEIZAJQRAD-UHFFFAOYSA-N 1 2 245.229 0.446 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854528984 588790484 /nfs/dbraw/zinc/79/04/84/588790484.db2.gz WNJASECFUXGSDG-HTQZYQBOSA-N 1 2 211.265 0.492 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)C1CCCC1 ZINC000854531109 588790848 /nfs/dbraw/zinc/79/08/48/588790848.db2.gz APXSHSPNFUZONC-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO O=C(N[C@@H]1COC(=O)C1)c1cccc2[nH+]ccn21 ZINC000854557995 588794552 /nfs/dbraw/zinc/79/45/52/588794552.db2.gz QZYDJTAQVBLNRG-QMMMGPOBSA-N 1 2 245.238 0.380 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CC(C)=NO1 ZINC000854632594 588798430 /nfs/dbraw/zinc/79/84/30/588798430.db2.gz FAYZXIJSYJUUHB-NSHDSACASA-N 1 2 249.270 0.871 20 0 BCADLO C[C@H]1CCC[C@@]1(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854666684 588800164 /nfs/dbraw/zinc/80/01/64/588800164.db2.gz CWWGAMGOMDCJEY-JOYOIKCWSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@@H](O)C1CC1 ZINC000854685989 588801201 /nfs/dbraw/zinc/80/12/01/588801201.db2.gz OYQRDVVDYXASKZ-BDAKNGLRSA-N 1 2 221.260 0.215 20 0 BCADLO Cc1nnc(C(=O)N[C@H]2CCn3cc[nH+]c32)s1 ZINC000854685434 588801260 /nfs/dbraw/zinc/80/12/60/588801260.db2.gz LDEAQFRSGSMHBY-ZETCQYMHSA-N 1 2 249.299 0.918 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCOCCN1 ZINC000854691342 588801705 /nfs/dbraw/zinc/80/17/05/588801705.db2.gz GOHLRAVSPLOKOA-UHFFFAOYSA-N 1 2 246.270 0.311 20 0 BCADLO C[NH+](C)CCONC(=O)[C@]12C[C@H]1COC2(C)C ZINC000854690822 588801850 /nfs/dbraw/zinc/80/18/50/588801850.db2.gz MGKJNZJFRWFSLM-CABZTGNLSA-N 1 2 242.319 0.411 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000112556280 588802520 /nfs/dbraw/zinc/80/25/20/588802520.db2.gz SQTPALRTXIIEHZ-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO CCNC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000112556280 588802521 /nfs/dbraw/zinc/80/25/21/588802521.db2.gz SQTPALRTXIIEHZ-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO CC(C)ONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854754258 588805623 /nfs/dbraw/zinc/80/56/23/588805623.db2.gz MJNCLHHCUQHPGB-MRVPVSSYSA-N 1 2 223.276 0.971 20 0 BCADLO CC(C)ONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854754258 588805624 /nfs/dbraw/zinc/80/56/24/588805624.db2.gz MJNCLHHCUQHPGB-MRVPVSSYSA-N 1 2 223.276 0.971 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC(C)=NO1 ZINC000854803294 588810934 /nfs/dbraw/zinc/81/09/34/588810934.db2.gz RCAFVNJWZYRUTC-SECBINFHSA-N 1 2 236.275 0.542 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CC(C)=NO1 ZINC000854803294 588810935 /nfs/dbraw/zinc/81/09/35/588810935.db2.gz RCAFVNJWZYRUTC-SECBINFHSA-N 1 2 236.275 0.542 20 0 BCADLO CC1=NO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000854803528 588810990 /nfs/dbraw/zinc/81/09/90/588810990.db2.gz IWRQVZBGGDTDQA-SNVBAGLBSA-N 1 2 236.275 0.623 20 0 BCADLO CC1=NO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000854803528 588810991 /nfs/dbraw/zinc/81/09/91/588810991.db2.gz IWRQVZBGGDTDQA-SNVBAGLBSA-N 1 2 236.275 0.623 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1CO ZINC000854885230 588815512 /nfs/dbraw/zinc/81/55/12/588815512.db2.gz DQSZYNIDKHVIHL-IUCAKERBSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000854905221 588816271 /nfs/dbraw/zinc/81/62/71/588816271.db2.gz MEKRNRBLIDHBGZ-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000854905222 588816451 /nfs/dbraw/zinc/81/64/51/588816451.db2.gz MEKRNRBLIDHBGZ-DTWKUNHWSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1CS2 ZINC000854918608 588816920 /nfs/dbraw/zinc/81/69/20/588816920.db2.gz CGZNSDRTLKKKPJ-YUMQZZPRSA-N 1 2 223.301 0.669 20 0 BCADLO C[C@@H](COCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855028862 588821357 /nfs/dbraw/zinc/82/13/57/588821357.db2.gz ZGLSFEPZGSVMIR-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000854937679 588817317 /nfs/dbraw/zinc/81/73/17/588817317.db2.gz QEYRAWZLYBSOIP-OPRDCNLKSA-N 1 2 237.303 0.882 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000855015877 588820509 /nfs/dbraw/zinc/82/05/09/588820509.db2.gz GSJMEVDIPBEMMO-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000855015881 588820539 /nfs/dbraw/zinc/82/05/39/588820539.db2.gz GSJMEVDIPBEMMO-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CCn1nc(C)c(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000855134919 588822559 /nfs/dbraw/zinc/82/25/59/588822559.db2.gz CAOZFSUJSRJYQV-UHFFFAOYSA-N 1 2 248.290 0.602 20 0 BCADLO CCn1nc(C)c(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000855134919 588822560 /nfs/dbraw/zinc/82/25/60/588822560.db2.gz CAOZFSUJSRJYQV-UHFFFAOYSA-N 1 2 248.290 0.602 20 0 BCADLO CC[C@@H](CO)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134801 588823042 /nfs/dbraw/zinc/82/30/42/588823042.db2.gz AGEWUDRMFRTXMY-QMMMGPOBSA-N 1 2 211.265 0.387 20 0 BCADLO CC[C@@H](CO)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134801 588823043 /nfs/dbraw/zinc/82/30/43/588823043.db2.gz AGEWUDRMFRTXMY-QMMMGPOBSA-N 1 2 211.265 0.387 20 0 BCADLO COC1CC(CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000855170332 588825128 /nfs/dbraw/zinc/82/51/28/588825128.db2.gz OZPDYAWRKRLHGZ-UHFFFAOYSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)C2)C1 ZINC000113240325 588827625 /nfs/dbraw/zinc/82/76/25/588827625.db2.gz CKAQDWLELLMNGQ-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)C2)C1 ZINC000113240325 588827626 /nfs/dbraw/zinc/82/76/26/588827626.db2.gz CKAQDWLELLMNGQ-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO C[C@@H]1COCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866843422 582457805 /nfs/dbraw/zinc/45/78/05/582457805.db2.gz GWZLZIIVWYGVJF-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@]1(C2CC2)COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000890587483 582484539 /nfs/dbraw/zinc/48/45/39/582484539.db2.gz AVWUYAFXDJRWIU-CYBMUJFWSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000855408142 588831921 /nfs/dbraw/zinc/83/19/21/588831921.db2.gz QROFAOXGECXCJT-ZJUUUORDSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(F)CC1 ZINC000855408142 588831922 /nfs/dbraw/zinc/83/19/22/588831922.db2.gz QROFAOXGECXCJT-ZJUUUORDSA-N 1 2 244.310 0.714 20 0 BCADLO O=C(NCC[C@@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000890713506 582511816 /nfs/dbraw/zinc/51/18/16/582511816.db2.gz IHSGJUVMBVMTQV-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NCC[C@@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000890713506 582511818 /nfs/dbraw/zinc/51/18/18/582511818.db2.gz IHSGJUVMBVMTQV-CKYFFXLPSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H](O)C1CC1 ZINC000890715882 582513930 /nfs/dbraw/zinc/51/39/30/582513930.db2.gz CDVVEDUIUMPLGY-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@H](O)C2CC2)c[nH+]1 ZINC000890724547 582517458 /nfs/dbraw/zinc/51/74/58/582517458.db2.gz BQMVMPCGMOBLHQ-JTQLQIEISA-N 1 2 223.276 0.609 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891048037 582601732 /nfs/dbraw/zinc/60/17/32/582601732.db2.gz IODXWOQDZJDUAN-VXGBXAGGSA-N 1 2 249.314 0.504 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1COC[C@H]1C1CC1 ZINC000891060572 582605869 /nfs/dbraw/zinc/60/58/69/582605869.db2.gz WBLGDCJRAQPNKL-RYUDHWBXSA-N 1 2 249.314 0.814 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC000844748918 582606214 /nfs/dbraw/zinc/60/62/14/582606214.db2.gz MAVSHSJXFOHHHK-ILMIYZIASA-N 1 2 242.344 0.018 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC000844748918 582606216 /nfs/dbraw/zinc/60/62/16/582606216.db2.gz MAVSHSJXFOHHHK-ILMIYZIASA-N 1 2 242.344 0.018 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1coc(CO)c1 ZINC000845393071 582611489 /nfs/dbraw/zinc/61/14/89/582611489.db2.gz KORQJKVDMURSMM-UHFFFAOYSA-N 1 2 236.227 0.825 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NC/C=C\Cl ZINC000891198731 582626015 /nfs/dbraw/zinc/62/60/15/582626015.db2.gz MAZDHMOTPOWNQD-CCAGOZQPSA-N 1 2 244.722 0.744 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000891257436 582642437 /nfs/dbraw/zinc/64/24/37/582642437.db2.gz PKZNWGUHUJPTDF-AEJSXWLSSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1ncccn1 ZINC000891256368 582642518 /nfs/dbraw/zinc/64/25/18/582642518.db2.gz HFGLMOWIWWFWPT-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccoc1 ZINC000779199756 582659491 /nfs/dbraw/zinc/65/94/91/582659491.db2.gz KWLVUQOTGTXAQR-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccoc1 ZINC000779199756 582659493 /nfs/dbraw/zinc/65/94/93/582659493.db2.gz KWLVUQOTGTXAQR-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCO[C@H]1CC1(F)F ZINC000855607696 588841956 /nfs/dbraw/zinc/84/19/56/588841956.db2.gz KXUUIVGGXOWRKR-ZETCQYMHSA-N 1 2 245.229 0.493 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000888977381 582666572 /nfs/dbraw/zinc/66/65/72/582666572.db2.gz XYGHNNQVUQZSJV-ZJUUUORDSA-N 1 2 248.282 0.814 20 0 BCADLO Cn1nc2c(c1C[NH+]1CCOCC1)CCC2 ZINC000891392086 582676907 /nfs/dbraw/zinc/67/69/07/582676907.db2.gz YKXJYPGZMCTDDS-UHFFFAOYSA-N 1 2 221.304 0.741 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1COC2(CCC2)C1 ZINC000855654821 588843822 /nfs/dbraw/zinc/84/38/22/588843822.db2.gz CBBWYDJGHZZMIZ-SECBINFHSA-N 1 2 235.287 0.780 20 0 BCADLO CC(=O)NCCNc1cc(N(C)C)nc[nH+]1 ZINC000891486384 582692252 /nfs/dbraw/zinc/69/22/52/582692252.db2.gz HUCAICMTYCTSNV-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CC(=O)NCCNc1cc(N(C)C)[nH+]cn1 ZINC000891486384 582692255 /nfs/dbraw/zinc/69/22/55/582692255.db2.gz HUCAICMTYCTSNV-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CC(C)N(CC(N)=O)Cc1[nH+]ccn1C1CC1 ZINC000891486414 582692317 /nfs/dbraw/zinc/69/23/17/582692317.db2.gz ITYIIWZOQGVWGD-UHFFFAOYSA-N 1 2 236.319 0.914 20 0 BCADLO CCn1cc(C[N@H+](CC(N)=O)C(C)C)c(C)n1 ZINC000891486594 582692370 /nfs/dbraw/zinc/69/23/70/582692370.db2.gz MNCANJGRYQYTEJ-UHFFFAOYSA-N 1 2 238.335 0.907 20 0 BCADLO CCn1cc(C[N@@H+](CC(N)=O)C(C)C)c(C)n1 ZINC000891486594 582692372 /nfs/dbraw/zinc/69/23/72/582692372.db2.gz MNCANJGRYQYTEJ-UHFFFAOYSA-N 1 2 238.335 0.907 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cc(O)cc(Cl)c1 ZINC000891582142 582699188 /nfs/dbraw/zinc/69/91/88/582699188.db2.gz OHTSSKGKYAWOFM-UHFFFAOYSA-N 1 2 228.679 0.963 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cc(O)cc(Cl)c1 ZINC000891582142 582699190 /nfs/dbraw/zinc/69/91/90/582699190.db2.gz OHTSSKGKYAWOFM-UHFFFAOYSA-N 1 2 228.679 0.963 20 0 BCADLO CN(CC(N)=O)Cc1[nH+]ccn1C1CC1 ZINC000891580668 582699678 /nfs/dbraw/zinc/69/96/78/582699678.db2.gz ARZIKEWYXFITNU-UHFFFAOYSA-N 1 2 208.265 0.135 20 0 BCADLO COCC[N@H+](CCO)Cc1nccn1C1CC1 ZINC000891913123 582737204 /nfs/dbraw/zinc/73/72/04/582737204.db2.gz QFSUDMLYKOGTDC-UHFFFAOYSA-N 1 2 239.319 0.659 20 0 BCADLO COCC[N@@H+](CCO)Cc1nccn1C1CC1 ZINC000891913123 582737207 /nfs/dbraw/zinc/73/72/07/582737207.db2.gz QFSUDMLYKOGTDC-UHFFFAOYSA-N 1 2 239.319 0.659 20 0 BCADLO O=S1CCN(Cc2[nH+]ccn2C2CC2)CC1 ZINC000891941045 582741977 /nfs/dbraw/zinc/74/19/77/582741977.db2.gz VZPLIALNBXHRKH-UHFFFAOYSA-N 1 2 239.344 0.782 20 0 BCADLO CN(Cc1[nH+]ccn1C1CC1)[C@H]1CCN(C)C1=O ZINC000892081193 582787402 /nfs/dbraw/zinc/78/74/02/582787402.db2.gz VTCSNHPOCKWACP-NSHDSACASA-N 1 2 248.330 0.881 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000892226249 582809758 /nfs/dbraw/zinc/80/97/58/582809758.db2.gz DYEMEAUBAKGQRV-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000892226249 582809760 /nfs/dbraw/zinc/80/97/60/582809760.db2.gz DYEMEAUBAKGQRV-KOLCDFICSA-N 1 2 241.287 0.870 20 0 BCADLO CCc1cc(N2CCNC(=O)CC2)nc(CC)[nH+]1 ZINC000892320384 582842216 /nfs/dbraw/zinc/84/22/16/582842216.db2.gz DZAPEMIIEPCBKL-UHFFFAOYSA-N 1 2 248.330 0.928 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000725779219 582849127 /nfs/dbraw/zinc/84/91/27/582849127.db2.gz RGIUOYKDLNFWAB-JTQLQIEISA-N 1 2 232.287 0.795 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000725779219 582849129 /nfs/dbraw/zinc/84/91/29/582849129.db2.gz RGIUOYKDLNFWAB-JTQLQIEISA-N 1 2 232.287 0.795 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)O ZINC000890465560 582849735 /nfs/dbraw/zinc/84/97/35/582849735.db2.gz ZXDCPKZFCOFILN-QMMMGPOBSA-N 1 2 225.292 0.238 20 0 BCADLO CC[S@](=O)CCNc1nccn2c[nH+]cc12 ZINC000892451656 582889735 /nfs/dbraw/zinc/88/97/35/582889735.db2.gz ABPKQWANNHMUOI-INIZCTEOSA-N 1 2 238.316 0.910 20 0 BCADLO CN(Cc1cc[nH]n1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892481799 582896539 /nfs/dbraw/zinc/89/65/39/582896539.db2.gz QOYWYOYLVQEBIS-UHFFFAOYSA-N 1 2 245.290 0.691 20 0 BCADLO CN(CC(C)(C)O)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892540106 582908455 /nfs/dbraw/zinc/90/84/55/582908455.db2.gz BUWMLSLICNQGAZ-UHFFFAOYSA-N 1 2 237.307 0.538 20 0 BCADLO CN(CC(C)(C)O)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892540106 582908458 /nfs/dbraw/zinc/90/84/58/582908458.db2.gz BUWMLSLICNQGAZ-UHFFFAOYSA-N 1 2 237.307 0.538 20 0 BCADLO CCc1cc(NCC(=O)NCC(F)F)nc[nH+]1 ZINC000393707198 582917921 /nfs/dbraw/zinc/91/79/21/582917921.db2.gz QGMHNONOVLXVOC-UHFFFAOYSA-N 1 2 244.245 0.254 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000856148681 588862760 /nfs/dbraw/zinc/86/27/60/588862760.db2.gz WKJDNLSILWVLHX-ZJUUUORDSA-N 1 2 235.287 0.447 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000892614117 582930132 /nfs/dbraw/zinc/93/01/32/582930132.db2.gz FIZUCKZTUZOYMS-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCN(C)C2=O)[nH+]cn1 ZINC000892614117 582930134 /nfs/dbraw/zinc/93/01/34/582930134.db2.gz FIZUCKZTUZOYMS-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO OC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892637789 582935193 /nfs/dbraw/zinc/93/51/93/582935193.db2.gz RCXKDRNYQSWOBC-SECBINFHSA-N 1 2 218.260 0.548 20 0 BCADLO Nc1nc(N2CC[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000892637757 582935212 /nfs/dbraw/zinc/93/52/12/582935212.db2.gz QODIAQOAJYGNLG-ZETCQYMHSA-N 1 2 235.291 0.150 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CC[C@H](CO)C2)n1 ZINC000892637757 582935214 /nfs/dbraw/zinc/93/52/14/582935214.db2.gz QODIAQOAJYGNLG-ZETCQYMHSA-N 1 2 235.291 0.150 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394030659 582943846 /nfs/dbraw/zinc/94/38/46/582943846.db2.gz NJDZNTBMKJVNNU-MRVPVSSYSA-N 1 2 211.265 0.159 20 0 BCADLO COC[C@H](C)[NH+]1CCN(c2ncns2)CC1 ZINC000134789764 582947546 /nfs/dbraw/zinc/94/75/46/582947546.db2.gz ZYJRKMLGDNGNFH-VIFPVBQESA-N 1 2 242.348 0.695 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC12CC(O)C2 ZINC000888948447 582949418 /nfs/dbraw/zinc/94/94/18/582949418.db2.gz GZDVXNJKHADHBM-RUETXSTFSA-N 1 2 247.298 0.523 20 0 BCADLO OCC(CO)Nc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000892681828 582952728 /nfs/dbraw/zinc/95/27/28/582952728.db2.gz PJAXAPHUFHYOEU-UHFFFAOYSA-N 1 2 249.314 0.997 20 0 BCADLO C[C@H](O)c1cccc(N(CCO)CCCO)[nH+]1 ZINC000892690652 582956633 /nfs/dbraw/zinc/95/66/33/582956633.db2.gz WWZMMEHEQWPTEO-JTQLQIEISA-N 1 2 240.303 0.316 20 0 BCADLO C[C@H](NC(=O)c1ccnnc1)c1[nH+]ccn1C ZINC000856277691 588866662 /nfs/dbraw/zinc/86/66/62/588866662.db2.gz OMFDZOKMAJCWRA-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO Cc1nonc1CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279476 588866890 /nfs/dbraw/zinc/86/68/90/588866890.db2.gz GERCTFSBUJNBII-QMMMGPOBSA-N 1 2 249.274 0.531 20 0 BCADLO C[C@@H](O)c1cccc(N2C[C@H](O)C[C@H](O)C2)[nH+]1 ZINC000892770498 582979229 /nfs/dbraw/zinc/97/92/29/582979229.db2.gz KXXKSJHNCSOBMT-BBBLOLIVSA-N 1 2 238.287 0.067 20 0 BCADLO C[C@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000892807916 582986107 /nfs/dbraw/zinc/98/61/07/582986107.db2.gz YYFHTHYISITQSH-NSHDSACASA-N 1 2 218.260 0.690 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1nccn2c[nH+]cc12 ZINC000892826120 582990424 /nfs/dbraw/zinc/99/04/24/582990424.db2.gz AVGHJDVAEAQXLY-SECBINFHSA-N 1 2 245.286 0.444 20 0 BCADLO O=C1CC[C@H](C[N@@H+]2CCOC[C@]23CCOC3)O1 ZINC000852013292 582993065 /nfs/dbraw/zinc/99/30/65/582993065.db2.gz SZCBOIOIYHIYEB-ZYHUDNBSSA-N 1 2 241.287 0.183 20 0 BCADLO O=C1CC[C@H](C[N@H+]2CCOC[C@]23CCOC3)O1 ZINC000852013292 582993067 /nfs/dbraw/zinc/99/30/67/582993067.db2.gz SZCBOIOIYHIYEB-ZYHUDNBSSA-N 1 2 241.287 0.183 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1nccn2c[nH+]cc12 ZINC000892849964 582996254 /nfs/dbraw/zinc/99/62/54/582996254.db2.gz BEFKDJRPXXQAII-LLVKDONJSA-N 1 2 232.287 0.936 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852439653 583014056 /nfs/dbraw/zinc/01/40/56/583014056.db2.gz DXWQKJLTQJHHKR-SECBINFHSA-N 1 2 238.247 0.096 20 0 BCADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852439653 583014057 /nfs/dbraw/zinc/01/40/57/583014057.db2.gz DXWQKJLTQJHHKR-SECBINFHSA-N 1 2 238.247 0.096 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1c1nccn2c[nH+]cc12 ZINC000892944067 583014395 /nfs/dbraw/zinc/01/43/95/583014395.db2.gz NUDKPIPTZQXAED-NXEZZACHSA-N 1 2 248.286 0.315 20 0 BCADLO CCc1cc(N(C)[C@@H]2CCNC2=O)nc(CC)[nH+]1 ZINC000893019892 583031316 /nfs/dbraw/zinc/03/13/16/583031316.db2.gz UUIDPPCYJKHCSN-SNVBAGLBSA-N 1 2 248.330 0.926 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(NC)[nH+]cn1 ZINC000893054162 583038580 /nfs/dbraw/zinc/03/85/80/583038580.db2.gz VBYNGKBPSZKFEF-IUCAKERBSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(NC)nc[nH+]1 ZINC000893054162 583038581 /nfs/dbraw/zinc/03/85/81/583038581.db2.gz VBYNGKBPSZKFEF-IUCAKERBSA-N 1 2 249.318 0.845 20 0 BCADLO CC12CC(C1)CN2C(=O)Cc1[nH]cc[nH+]1 ZINC000856511925 588874332 /nfs/dbraw/zinc/87/43/32/588874332.db2.gz BSTYPIRKBLNFHU-UHFFFAOYSA-N 1 2 205.261 0.963 20 0 BCADLO CC(C)(C)c1nc(N2CC(CO)C2)nc(N)[nH+]1 ZINC000893142138 583056378 /nfs/dbraw/zinc/05/63/78/583056378.db2.gz NADBIYVPEGCMCZ-UHFFFAOYSA-N 1 2 237.307 0.180 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2nnc(C)s2)C1 ZINC000893147135 583056915 /nfs/dbraw/zinc/05/69/15/583056915.db2.gz UNIOZQIOHBPLOL-UHFFFAOYSA-N 1 2 242.304 0.387 20 0 BCADLO CN(c1nc(N)[nH+]c(C2CC2)n1)C1CC(O)C1 ZINC000893169322 583063328 /nfs/dbraw/zinc/06/33/28/583063328.db2.gz ZDQMADQERKVXNH-UHFFFAOYSA-N 1 2 235.291 0.291 20 0 BCADLO CN(c1nc(N)nc(C2CC2)[nH+]1)C1CC(O)C1 ZINC000893169322 583063331 /nfs/dbraw/zinc/06/33/31/583063331.db2.gz ZDQMADQERKVXNH-UHFFFAOYSA-N 1 2 235.291 0.291 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000856765282 588875925 /nfs/dbraw/zinc/87/59/25/588875925.db2.gz XKOBXWLFOWKRLT-UHFFFAOYSA-N 1 2 230.699 0.299 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[C@H]1O ZINC000893269078 583081211 /nfs/dbraw/zinc/08/12/11/583081211.db2.gz LOJGNFRNJYIEQK-NXEZZACHSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CC[C@H]1O ZINC000893269078 583081212 /nfs/dbraw/zinc/08/12/12/583081212.db2.gz LOJGNFRNJYIEQK-NXEZZACHSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[C@H]1O ZINC000893269080 583081295 /nfs/dbraw/zinc/08/12/95/583081295.db2.gz LOJGNFRNJYIEQK-VHSXEESVSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)CC[C@H]1O ZINC000893269080 583081296 /nfs/dbraw/zinc/08/12/96/583081296.db2.gz LOJGNFRNJYIEQK-VHSXEESVSA-N 1 2 236.319 0.750 20 0 BCADLO CCO/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000840590021 583094469 /nfs/dbraw/zinc/09/44/69/583094469.db2.gz SAQCFSZEAAHCBO-ZPMKCOPCSA-N 1 2 243.303 0.801 20 0 BCADLO CCO/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000840590021 583094470 /nfs/dbraw/zinc/09/44/70/583094470.db2.gz SAQCFSZEAAHCBO-ZPMKCOPCSA-N 1 2 243.303 0.801 20 0 BCADLO CON1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000854856431 583094683 /nfs/dbraw/zinc/09/46/83/583094683.db2.gz GJODNZCNMKOGIR-UHFFFAOYSA-N 1 2 238.291 0.048 20 0 BCADLO CON1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000854856431 583094686 /nfs/dbraw/zinc/09/46/86/583094686.db2.gz GJODNZCNMKOGIR-UHFFFAOYSA-N 1 2 238.291 0.048 20 0 BCADLO C[C@@H](NCc1cnccn1)[C@@H]1C[N@H+](C)CCO1 ZINC000856773769 588877065 /nfs/dbraw/zinc/87/70/65/588877065.db2.gz TWGYWOADOJAMIW-PWSUYJOCSA-N 1 2 236.319 0.285 20 0 BCADLO C[C@@H](NCc1cnccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000856773769 588877066 /nfs/dbraw/zinc/87/70/66/588877066.db2.gz TWGYWOADOJAMIW-PWSUYJOCSA-N 1 2 236.319 0.285 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000856281815 583117947 /nfs/dbraw/zinc/11/79/47/583117947.db2.gz RXVZVIXETCYQHY-RKDXNWHRSA-N 1 2 236.275 0.762 20 0 BCADLO CC[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000114607628 588878750 /nfs/dbraw/zinc/87/87/50/588878750.db2.gz AOKLABNGQBOWCJ-JTQLQIEISA-N 1 2 215.293 0.908 20 0 BCADLO CCn1nncc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000893556198 583163712 /nfs/dbraw/zinc/16/37/12/583163712.db2.gz OFYPDCYOHSXOSM-JDNHERCYSA-N 1 2 244.364 0.497 20 0 BCADLO CCn1nncc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000893556198 583163714 /nfs/dbraw/zinc/16/37/14/583163714.db2.gz OFYPDCYOHSXOSM-JDNHERCYSA-N 1 2 244.364 0.497 20 0 BCADLO CCOc1cncc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000857013176 588882062 /nfs/dbraw/zinc/88/20/62/588882062.db2.gz IBGUBTRCXIBWNO-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CCOc1cncc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000857013176 588882063 /nfs/dbraw/zinc/88/20/63/588882063.db2.gz IBGUBTRCXIBWNO-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CN(C)c1cc(N2CC[C@@](C)(C(N)=O)C2)nc[nH+]1 ZINC000893639252 583183235 /nfs/dbraw/zinc/18/32/35/583183235.db2.gz XGCQTLNKYATTDZ-GFCCVEGCSA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CC[C@@](C)(C(N)=O)C2)[nH+]cn1 ZINC000893639252 583183238 /nfs/dbraw/zinc/18/32/38/583183238.db2.gz XGCQTLNKYATTDZ-GFCCVEGCSA-N 1 2 249.318 0.244 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000840978810 583214835 /nfs/dbraw/zinc/21/48/35/583214835.db2.gz PMUMIKRZUPXRLZ-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000840978810 583214837 /nfs/dbraw/zinc/21/48/37/583214837.db2.gz PMUMIKRZUPXRLZ-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO CNc1cc(N2CC[C@@](F)(CO)C2)nc[nH+]1 ZINC000893727970 583215609 /nfs/dbraw/zinc/21/56/09/583215609.db2.gz MWLUOCUSAYPAMI-JTQLQIEISA-N 1 2 226.255 0.429 20 0 BCADLO CNc1cc(N2CC[C@@](F)(CO)C2)[nH+]cn1 ZINC000893727970 583215611 /nfs/dbraw/zinc/21/56/11/583215611.db2.gz MWLUOCUSAYPAMI-JTQLQIEISA-N 1 2 226.255 0.429 20 0 BCADLO CCc1cc(N2CCOCCN2)[nH+]c(CC)n1 ZINC000893807884 583224970 /nfs/dbraw/zinc/22/49/70/583224970.db2.gz UWRSHTFTSBOHBL-UHFFFAOYSA-N 1 2 236.319 0.943 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)CSCC(C)=O ZINC000893872974 583238568 /nfs/dbraw/zinc/23/85/68/583238568.db2.gz MRRWDNCCGOYDRO-JTQLQIEISA-N 1 2 244.360 0.519 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)CSCC(C)=O ZINC000893872974 583238570 /nfs/dbraw/zinc/23/85/70/583238570.db2.gz MRRWDNCCGOYDRO-JTQLQIEISA-N 1 2 244.360 0.519 20 0 BCADLO CCOC(=O)CN(C)Cc1c(C)cc[nH+]c1N ZINC000893925350 583249615 /nfs/dbraw/zinc/24/96/15/583249615.db2.gz PUGFVDHKEXMHQV-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn(C)nc1C1CC1 ZINC000893965456 583262466 /nfs/dbraw/zinc/26/24/66/583262466.db2.gz QKDGGNPLSDPRSD-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn(C)nc1C1CC1 ZINC000893965456 583262469 /nfs/dbraw/zinc/26/24/69/583262469.db2.gz QKDGGNPLSDPRSD-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO CCOc1ccc(C[N@H+](CC)CC(N)=O)o1 ZINC000893965369 583263051 /nfs/dbraw/zinc/26/30/51/583263051.db2.gz OKZRVCHEDJLWEX-UHFFFAOYSA-N 1 2 226.276 0.986 20 0 BCADLO CCOc1ccc(C[N@@H+](CC)CC(N)=O)o1 ZINC000893965369 583263053 /nfs/dbraw/zinc/26/30/53/583263053.db2.gz OKZRVCHEDJLWEX-UHFFFAOYSA-N 1 2 226.276 0.986 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000893974327 583265425 /nfs/dbraw/zinc/26/54/25/583265425.db2.gz UVZQBOAXTGWBQW-BQBZGAKWSA-N 1 2 227.264 0.980 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000893985145 583269085 /nfs/dbraw/zinc/26/90/85/583269085.db2.gz YUUGJEMFFXHIJV-LLVKDONJSA-N 1 2 248.330 0.833 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000893985145 583269088 /nfs/dbraw/zinc/26/90/88/583269088.db2.gz YUUGJEMFFXHIJV-LLVKDONJSA-N 1 2 248.330 0.833 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000894000581 583271270 /nfs/dbraw/zinc/27/12/70/583271270.db2.gz GWASWDWLQVFHQW-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1ncoc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000894000581 583271272 /nfs/dbraw/zinc/27/12/72/583271272.db2.gz GWASWDWLQVFHQW-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000894015700 583276035 /nfs/dbraw/zinc/27/60/35/583276035.db2.gz BGXLVTGBVRSAGX-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO CC[C@@H](CO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000894015700 583276036 /nfs/dbraw/zinc/27/60/36/583276036.db2.gz BGXLVTGBVRSAGX-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO C[C@H](O)c1cccc(N2CC(C)(CO)C2)[nH+]1 ZINC000894078311 583297593 /nfs/dbraw/zinc/29/75/93/583297593.db2.gz JFCHTYLYUPUUSG-VIFPVBQESA-N 1 2 222.288 0.954 20 0 BCADLO Cc1coc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000894096298 583301034 /nfs/dbraw/zinc/30/10/34/583301034.db2.gz WLBKGDSSGKDLKM-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO Cc1coc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000894096298 583301035 /nfs/dbraw/zinc/30/10/35/583301035.db2.gz WLBKGDSSGKDLKM-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO CN(C)c1cc(NC[C@]2(C)CCC(=O)N2)[nH+]cn1 ZINC000894140033 583315838 /nfs/dbraw/zinc/31/58/38/583315838.db2.gz PBPXQHMKLWZEGL-LBPRGKRZSA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(NC[C@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000894140033 583315839 /nfs/dbraw/zinc/31/58/39/583315839.db2.gz PBPXQHMKLWZEGL-LBPRGKRZSA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(NC[C@H]2CNC(=O)C2)[nH+]cn1 ZINC000894184816 583332444 /nfs/dbraw/zinc/33/24/44/583332444.db2.gz HFLAZGDXNOEXQS-QMMMGPOBSA-N 1 2 235.291 0.091 20 0 BCADLO CN(C)c1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000894184816 583332445 /nfs/dbraw/zinc/33/24/45/583332445.db2.gz HFLAZGDXNOEXQS-QMMMGPOBSA-N 1 2 235.291 0.091 20 0 BCADLO CNc1cc(N2CC[C@H](C(=O)N(C)C)C2)nc[nH+]1 ZINC000894195982 583335488 /nfs/dbraw/zinc/33/54/88/583335488.db2.gz VNRIMLUTPBHIAF-VIFPVBQESA-N 1 2 249.318 0.433 20 0 BCADLO CNc1cc(N2CC[C@H](C(=O)N(C)C)C2)[nH+]cn1 ZINC000894195982 583335490 /nfs/dbraw/zinc/33/54/90/583335490.db2.gz VNRIMLUTPBHIAF-VIFPVBQESA-N 1 2 249.318 0.433 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790962 583374814 /nfs/dbraw/zinc/37/48/14/583374814.db2.gz JINSMDVNPCYTGK-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790962 583374816 /nfs/dbraw/zinc/37/48/16/583374816.db2.gz JINSMDVNPCYTGK-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878533498 583380329 /nfs/dbraw/zinc/38/03/29/583380329.db2.gz PUCKGLRBVNJWOY-DTORHVGOSA-N 1 2 247.302 0.411 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878533498 583380331 /nfs/dbraw/zinc/38/03/31/583380331.db2.gz PUCKGLRBVNJWOY-DTORHVGOSA-N 1 2 247.302 0.411 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1[nH]nnc1C ZINC000857279761 588902362 /nfs/dbraw/zinc/90/23/62/588902362.db2.gz CLVAWFQQKIJNPR-MRVPVSSYSA-N 1 2 248.290 0.821 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnn(C)n1 ZINC000857280880 588902484 /nfs/dbraw/zinc/90/24/84/588902484.db2.gz PCRYLOZCUVBPGF-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO CN(C)c1cc(NCC2(CC(N)=O)CC2)[nH+]cn1 ZINC000894240354 583387434 /nfs/dbraw/zinc/38/74/34/583387434.db2.gz QIUYEPRWUJSTDC-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CN(C)c1cc(NCC2(CC(N)=O)CC2)nc[nH+]1 ZINC000894240354 583387437 /nfs/dbraw/zinc/38/74/37/583387437.db2.gz QIUYEPRWUJSTDC-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CC(=O)N[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894243972 583389170 /nfs/dbraw/zinc/38/91/70/583389170.db2.gz NWOFJUQCSFKIJW-JTQLQIEISA-N 1 2 245.286 0.444 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894247752 583390442 /nfs/dbraw/zinc/39/04/42/583390442.db2.gz HMFAQKNMSXURRX-SECBINFHSA-N 1 2 249.318 0.115 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894247752 583390445 /nfs/dbraw/zinc/39/04/45/583390445.db2.gz HMFAQKNMSXURRX-SECBINFHSA-N 1 2 249.318 0.115 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677620 583392039 /nfs/dbraw/zinc/39/20/39/583392039.db2.gz JWEYWJBAPPVJSU-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC(=O)N1 ZINC000878677620 583392041 /nfs/dbraw/zinc/39/20/41/583392041.db2.gz JWEYWJBAPPVJSU-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679451 583393038 /nfs/dbraw/zinc/39/30/38/583393038.db2.gz CWFBTDFYCKPXJQ-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679451 583393039 /nfs/dbraw/zinc/39/30/39/583393039.db2.gz CWFBTDFYCKPXJQ-WDEREUQCSA-N 1 2 238.331 0.766 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cncs2)C1 ZINC000307016819 583432160 /nfs/dbraw/zinc/43/21/60/583432160.db2.gz RXGOBFNCUHGUMD-QMMMGPOBSA-N 1 2 214.290 0.336 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cncs2)C1 ZINC000307016819 583432163 /nfs/dbraw/zinc/43/21/63/583432163.db2.gz RXGOBFNCUHGUMD-QMMMGPOBSA-N 1 2 214.290 0.336 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@H]2OC)nc[nH+]1 ZINC000894354773 583434379 /nfs/dbraw/zinc/43/43/79/583434379.db2.gz OPPYVKZIXNSPKU-HTQZYQBOSA-N 1 2 224.264 0.344 20 0 BCADLO CNc1cc(N[C@@H]2COC[C@H]2OC)[nH+]cn1 ZINC000894354773 583434381 /nfs/dbraw/zinc/43/43/81/583434381.db2.gz OPPYVKZIXNSPKU-HTQZYQBOSA-N 1 2 224.264 0.344 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc(N(C)C)[nH+]cn1 ZINC000894365651 583438820 /nfs/dbraw/zinc/43/88/20/583438820.db2.gz ZCXMPPLZTCSTJA-QMMMGPOBSA-N 1 2 235.291 0.167 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc(N(C)C)nc[nH+]1 ZINC000894365651 583438822 /nfs/dbraw/zinc/43/88/22/583438822.db2.gz ZCXMPPLZTCSTJA-QMMMGPOBSA-N 1 2 235.291 0.167 20 0 BCADLO CNc1cc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000894389096 583445738 /nfs/dbraw/zinc/44/57/38/583445738.db2.gz PBBYHBFGZZWFCX-KNVOCYPGSA-N 1 2 221.264 0.194 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](O)COC ZINC000879983175 583453179 /nfs/dbraw/zinc/45/31/79/583453179.db2.gz VQFDTLQFWNPRGF-WDEREUQCSA-N 1 2 245.319 0.315 20 0 BCADLO Cc1coc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000894422226 583457748 /nfs/dbraw/zinc/45/77/48/583457748.db2.gz HOLQGMBPMPDTAI-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1coc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000894422226 583457749 /nfs/dbraw/zinc/45/77/49/583457749.db2.gz HOLQGMBPMPDTAI-SNVBAGLBSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000894451849 583463485 /nfs/dbraw/zinc/46/34/85/583463485.db2.gz VSKCCQPKNNUQIM-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO Cc1cc[nH+]c(N)c1CNCC(F)(F)CO ZINC000894475036 583470053 /nfs/dbraw/zinc/47/00/53/583470053.db2.gz ILOXUBZCJPRFGV-UHFFFAOYSA-N 1 2 231.246 0.689 20 0 BCADLO CNc1cc(N2CC[C@@H](O)C(F)(F)C2)nc[nH+]1 ZINC000894523281 583477586 /nfs/dbraw/zinc/47/75/86/583477586.db2.gz DUNRTTDUSSUWAF-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC[C@@H](O)C(F)(F)C2)[nH+]cn1 ZINC000894523281 583477587 /nfs/dbraw/zinc/47/75/87/583477587.db2.gz DUNRTTDUSSUWAF-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N(C)C[C@@H]2COCCO2)nc[nH+]1 ZINC000894546237 583479856 /nfs/dbraw/zinc/47/98/56/583479856.db2.gz XMGOOTKVWDWTNI-SECBINFHSA-N 1 2 238.291 0.370 20 0 BCADLO CNc1cc(N(C)C[C@@H]2COCCO2)[nH+]cn1 ZINC000894546237 583479857 /nfs/dbraw/zinc/47/98/57/583479857.db2.gz XMGOOTKVWDWTNI-SECBINFHSA-N 1 2 238.291 0.370 20 0 BCADLO CN(C)C(=O)OCCNc1nccn2c[nH+]cc12 ZINC000894540014 583481094 /nfs/dbraw/zinc/48/10/94/583481094.db2.gz BLFIPYBRIXFVDE-UHFFFAOYSA-N 1 2 249.274 0.839 20 0 BCADLO CN(Cc1cn(C)nn1)c1nccn2c[nH+]cc12 ZINC000894570306 583486087 /nfs/dbraw/zinc/48/60/87/583486087.db2.gz WRIBPRRJRLPFQY-UHFFFAOYSA-N 1 2 243.274 0.494 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1cncnc1 ZINC000894583632 583489267 /nfs/dbraw/zinc/48/92/67/583489267.db2.gz HSEKZCSEVFAJID-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CC[N@H+](Cc1ocnc1C)[C@@H]1CCNC1=O ZINC000894662508 583501037 /nfs/dbraw/zinc/50/10/37/583501037.db2.gz KYAIETIRIWTGQP-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1ocnc1C)[C@@H]1CCNC1=O ZINC000894662508 583501038 /nfs/dbraw/zinc/50/10/38/583501038.db2.gz KYAIETIRIWTGQP-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nonc1CNCc1c(C)cc[nH+]c1N ZINC000894770757 583516869 /nfs/dbraw/zinc/51/68/69/583516869.db2.gz QQDPFTWVUIYAMO-UHFFFAOYSA-N 1 2 233.275 0.953 20 0 BCADLO CO[C@H](C)[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894810255 583523633 /nfs/dbraw/zinc/52/36/33/583523633.db2.gz STQJZTSXFSJDTJ-RKDXNWHRSA-N 1 2 240.307 0.009 20 0 BCADLO CO[C@H](C)[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894810255 583523634 /nfs/dbraw/zinc/52/36/34/583523634.db2.gz STQJZTSXFSJDTJ-RKDXNWHRSA-N 1 2 240.307 0.009 20 0 BCADLO COC1C[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894819747 583524873 /nfs/dbraw/zinc/52/48/73/583524873.db2.gz PYPDDOMNRQYQRS-MNOVXSKESA-N 1 2 245.294 0.951 20 0 BCADLO CC1(C)COC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000894871433 583539412 /nfs/dbraw/zinc/53/94/12/583539412.db2.gz UOKJQAUXDKCCSA-WDEREUQCSA-N 1 2 249.314 0.623 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)COC(C)=O ZINC000894897160 583550911 /nfs/dbraw/zinc/55/09/11/583550911.db2.gz JQYWVHCUYPKSRN-LDYMZIIASA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)[C@](C)(CO)NCc1[nH]c(C)c(C)[nH+]1 ZINC000894971824 583561034 /nfs/dbraw/zinc/56/10/34/583561034.db2.gz IGKNMHPQWZTNSP-NSHDSACASA-N 1 2 241.291 0.040 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000894975850 583562584 /nfs/dbraw/zinc/56/25/84/583562584.db2.gz OXEPZTCWLRZNIB-PWSUYJOCSA-N 1 2 227.304 0.856 20 0 BCADLO FC(F)COC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894976556 583562793 /nfs/dbraw/zinc/56/27/93/583562793.db2.gz SHQJKEYYAHRROZ-UHFFFAOYSA-N 1 2 217.219 0.876 20 0 BCADLO FC(F)COC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894976556 583562794 /nfs/dbraw/zinc/56/27/94/583562794.db2.gz SHQJKEYYAHRROZ-UHFFFAOYSA-N 1 2 217.219 0.876 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](Cc3cncn3C)C2)n[nH]1 ZINC000895008459 583569292 /nfs/dbraw/zinc/56/92/92/583569292.db2.gz YJYKZPOOGUMFRE-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](Cc3cncn3C)C2)n[nH]1 ZINC000895008459 583569294 /nfs/dbraw/zinc/56/92/94/583569294.db2.gz YJYKZPOOGUMFRE-JTQLQIEISA-N 1 2 246.318 0.836 20 0 BCADLO CNC(=O)[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895035140 583570162 /nfs/dbraw/zinc/57/01/62/583570162.db2.gz XWRZYHHJHHWOOI-SNVBAGLBSA-N 1 2 236.319 0.594 20 0 BCADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895035140 583570163 /nfs/dbraw/zinc/57/01/63/583570163.db2.gz XWRZYHHJHHWOOI-SNVBAGLBSA-N 1 2 236.319 0.594 20 0 BCADLO C[C@@H](F)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000895053005 583574430 /nfs/dbraw/zinc/57/44/30/583574430.db2.gz XALRTVOHCDPEFV-MRVPVSSYSA-N 1 2 228.271 0.967 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2nccn2C2CC2)C1 ZINC000895088680 583585520 /nfs/dbraw/zinc/58/55/20/583585520.db2.gz QWRMMPQRYYTMSH-UHFFFAOYSA-N 1 2 234.303 0.525 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)N(Cc2[nH+]ccn2C)[C@H]1C ZINC000895113412 583590885 /nfs/dbraw/zinc/59/08/85/583590885.db2.gz JKVVHEBXCUDRNW-GUBZILKMSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1c[nH+]cn1C ZINC000895112409 583591008 /nfs/dbraw/zinc/59/10/08/583591008.db2.gz DIQSCITVKJJZOI-AEJSXWLSSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)N(Cc2c[nH+]cn2C)[C@H]1C ZINC000895112410 583591316 /nfs/dbraw/zinc/59/13/16/583591316.db2.gz DIQSCITVKJJZOI-GUBZILKMSA-N 1 2 236.319 0.517 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NOC2CCC2)c1 ZINC000895134874 583602005 /nfs/dbraw/zinc/60/20/05/583602005.db2.gz BPONMIXLIXVFLM-UHFFFAOYSA-N 1 2 224.264 0.703 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H]1CO ZINC000895136964 583602267 /nfs/dbraw/zinc/60/22/67/583602267.db2.gz FEVXHDDKGMFPDE-SECBINFHSA-N 1 2 238.291 0.179 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H]1CO ZINC000895136965 583602436 /nfs/dbraw/zinc/60/24/36/583602436.db2.gz FEVXHDDKGMFPDE-VIFPVBQESA-N 1 2 238.291 0.179 20 0 BCADLO CC(C)(C)c1nc(N2C[C@@H]3C[C@]3(O)C2)nc(N)[nH+]1 ZINC000895158283 583608378 /nfs/dbraw/zinc/60/83/78/583608378.db2.gz WJJOWGMPRPHZCB-MADCSZMMSA-N 1 2 249.318 0.322 20 0 BCADLO CC[C@@](C)(C[NH2+][C@@H](C)c1n[nH]c(=O)n1C)OC ZINC000895170503 583612300 /nfs/dbraw/zinc/61/23/00/583612300.db2.gz DUUCXSDYGAYMQX-KWQFWETISA-N 1 2 242.323 0.986 20 0 BCADLO C=Cn1cc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cn1 ZINC000895174029 583613547 /nfs/dbraw/zinc/61/35/47/583613547.db2.gz FIUAXLOEAKZNBF-QMMMGPOBSA-N 1 2 248.290 0.669 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000882392213 583614937 /nfs/dbraw/zinc/61/49/37/583614937.db2.gz JTLSFEONCUQXSF-JTQLQIEISA-N 1 2 241.316 0.521 20 0 BCADLO CO[C@@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794688818 583617566 /nfs/dbraw/zinc/61/75/66/583617566.db2.gz SOMQPINHOJTPOB-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H]([NH2+]Cc1ccco1)C1N=NC(=O)N1C ZINC000895184120 583618567 /nfs/dbraw/zinc/61/85/67/583618567.db2.gz PSMVUWYRENLGMJ-ZETCQYMHSA-N 1 2 222.248 0.965 20 0 BCADLO C[C@@H]([NH2+]Cc1ccncc1)C1N=NC(=O)N1C ZINC000895185280 583618897 /nfs/dbraw/zinc/61/88/97/583618897.db2.gz YJZFSCSERLWXEM-MRVPVSSYSA-N 1 2 233.275 0.767 20 0 BCADLO COC(=O)C[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000882660055 583629115 /nfs/dbraw/zinc/62/91/15/583629115.db2.gz KGGKVBCVJADTAC-VIFPVBQESA-N 1 2 239.275 0.429 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cnsn1 ZINC000857947675 588924263 /nfs/dbraw/zinc/92/42/63/588924263.db2.gz USWVMLIDYKQORU-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CCn1ncc(C[NH2+]C[C@H]2CC(C)=NO2)n1 ZINC000895299876 583642102 /nfs/dbraw/zinc/64/21/02/583642102.db2.gz HPTVASNGPPCTBS-SNVBAGLBSA-N 1 2 223.280 0.552 20 0 BCADLO COC/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942593 588924277 /nfs/dbraw/zinc/92/42/77/588924277.db2.gz CPETVFDQGOOCRH-MXQLGCADSA-N 1 2 235.287 0.517 20 0 BCADLO CCn1ncnc1C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895301218 583642894 /nfs/dbraw/zinc/64/28/94/583642894.db2.gz HHUAXFVFWNTIQB-SECBINFHSA-N 1 2 223.280 0.552 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000895316020 583648567 /nfs/dbraw/zinc/64/85/67/583648567.db2.gz GHILSECSKAWYTR-QMMMGPOBSA-N 1 2 208.265 0.024 20 0 BCADLO OCCOCC[N@@H+]1Cc2ccncc2C1 ZINC000857877845 588919104 /nfs/dbraw/zinc/91/91/04/588919104.db2.gz PZBTXQIHDRVTPB-UHFFFAOYSA-N 1 2 208.261 0.406 20 0 BCADLO OCCOCC[N@H+]1Cc2ccncc2C1 ZINC000857877845 588919106 /nfs/dbraw/zinc/91/91/06/588919106.db2.gz PZBTXQIHDRVTPB-UHFFFAOYSA-N 1 2 208.261 0.406 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000895381209 583662096 /nfs/dbraw/zinc/66/20/96/583662096.db2.gz ZLRNNTXZXFAXBG-SFYZADRCSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000895381209 583662098 /nfs/dbraw/zinc/66/20/98/583662098.db2.gz ZLRNNTXZXFAXBG-SFYZADRCSA-N 1 2 224.264 0.236 20 0 BCADLO C[N@H+](C[C@@H]1CCSC1)C1CS(=O)(=O)C1 ZINC000895397756 583665078 /nfs/dbraw/zinc/66/50/78/583665078.db2.gz KSGBORQCJFJLRF-QMMMGPOBSA-N 1 2 235.374 0.468 20 0 BCADLO C[N@@H+](C[C@@H]1CCSC1)C1CS(=O)(=O)C1 ZINC000895397756 583665079 /nfs/dbraw/zinc/66/50/79/583665079.db2.gz KSGBORQCJFJLRF-QMMMGPOBSA-N 1 2 235.374 0.468 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000895400018 583666047 /nfs/dbraw/zinc/66/60/47/583666047.db2.gz NGASITNIKNIGKM-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCNC(=O)CC1(C)C ZINC000895400018 583666050 /nfs/dbraw/zinc/66/60/50/583666050.db2.gz NGASITNIKNIGKM-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000895400018 583666053 /nfs/dbraw/zinc/66/60/53/583666053.db2.gz NGASITNIKNIGKM-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCNC(=O)CC1(C)C ZINC000895400018 583666054 /nfs/dbraw/zinc/66/60/54/583666054.db2.gz NGASITNIKNIGKM-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO CC1(C)CC(=O)NCC[N@@H+]1Cc1cnc[nH]1 ZINC000895399971 583666229 /nfs/dbraw/zinc/66/62/29/583666229.db2.gz MNCWGIMFIZLTBW-UHFFFAOYSA-N 1 2 222.292 0.510 20 0 BCADLO CC1(C)CC(=O)NCC[N@H+]1Cc1cnc[nH]1 ZINC000895399971 583666230 /nfs/dbraw/zinc/66/62/30/583666230.db2.gz MNCWGIMFIZLTBW-UHFFFAOYSA-N 1 2 222.292 0.510 20 0 BCADLO CC1(C)CC(=O)NCC[N@@H+]1Cc1c[nH]cn1 ZINC000895399971 583666231 /nfs/dbraw/zinc/66/62/31/583666231.db2.gz MNCWGIMFIZLTBW-UHFFFAOYSA-N 1 2 222.292 0.510 20 0 BCADLO CC1(C)CC(=O)NCC[N@H+]1Cc1c[nH]cn1 ZINC000895399971 583666232 /nfs/dbraw/zinc/66/62/32/583666232.db2.gz MNCWGIMFIZLTBW-UHFFFAOYSA-N 1 2 222.292 0.510 20 0 BCADLO Cn1cc(CC[N@@H+]2Cc3ccncc3C2)nn1 ZINC000857880302 588920228 /nfs/dbraw/zinc/92/02/28/588920228.db2.gz GEAMCPCMKPHNBF-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1cc(CC[N@H+]2Cc3ccncc3C2)nn1 ZINC000857880302 588920229 /nfs/dbraw/zinc/92/02/29/588920229.db2.gz GEAMCPCMKPHNBF-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(C(F)F)CC1 ZINC000857884489 588920663 /nfs/dbraw/zinc/92/06/63/588920663.db2.gz JDSGIKIWIDDWJD-SSDOTTSWSA-N 1 2 241.241 0.969 20 0 BCADLO CS/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888783 588920954 /nfs/dbraw/zinc/92/09/54/588920954.db2.gz DBGFIXUVIOYNLN-YAJNLLPGSA-N 1 2 223.301 0.801 20 0 BCADLO O=Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000857890099 588921028 /nfs/dbraw/zinc/92/10/28/588921028.db2.gz PUVNQUSULSUWLP-VIFPVBQESA-N 1 2 244.254 0.378 20 0 BCADLO CC(C)(F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890445 588921070 /nfs/dbraw/zinc/92/10/70/588921070.db2.gz VPLZUGGYTXXZLN-SSDOTTSWSA-N 1 2 211.240 0.672 20 0 BCADLO COC(=O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895518957 583683974 /nfs/dbraw/zinc/68/39/74/583683974.db2.gz XDYDEQIRRVHJRX-UHFFFAOYSA-N 1 2 239.275 0.216 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000857886155 588921479 /nfs/dbraw/zinc/92/14/79/588921479.db2.gz UROLOHLFLHOHCC-ZWNOBZJWSA-N 1 2 249.314 0.475 20 0 BCADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nc1 ZINC000857890673 588921487 /nfs/dbraw/zinc/92/14/87/588921487.db2.gz YHPIKMHPASBCHB-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO CC[C@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618514 583697104 /nfs/dbraw/zinc/69/71/04/583697104.db2.gz JCMSGPYSAUIDPO-VIFPVBQESA-N 1 2 224.308 0.364 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(Cl)n1 ZINC000895645187 583700731 /nfs/dbraw/zinc/70/07/31/583700731.db2.gz OEOFPXICNCHQTD-PSASIEDQSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(Cl)n1 ZINC000895645187 583700733 /nfs/dbraw/zinc/70/07/33/583700733.db2.gz OEOFPXICNCHQTD-PSASIEDQSA-N 1 2 227.695 0.640 20 0 BCADLO CC[C@@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895662009 583702094 /nfs/dbraw/zinc/70/20/94/583702094.db2.gz FXBYWIMYXKPGJI-JTQLQIEISA-N 1 2 239.319 0.814 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N(C)CCO)c[nH+]1 ZINC000895665915 583705650 /nfs/dbraw/zinc/70/56/50/583705650.db2.gz SFXYRNCJOQADHF-UHFFFAOYSA-N 1 2 225.292 0.377 20 0 BCADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000895699621 583709617 /nfs/dbraw/zinc/70/96/17/583709617.db2.gz LBRFOPFVORZRAA-JGVFFNPUSA-N 1 2 241.316 0.265 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](C)CO1 ZINC000895703227 583709681 /nfs/dbraw/zinc/70/96/81/583709681.db2.gz ATOSRODNGVECAU-GARJFASQSA-N 1 2 237.303 0.813 20 0 BCADLO Cn1nc2c(c1C[NH2+]Cc1ncc[nH]1)CCC2 ZINC000895703814 583710390 /nfs/dbraw/zinc/71/03/90/583710390.db2.gz GTKZZBCIKCDJIS-UHFFFAOYSA-N 1 2 231.303 0.922 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)CCO1 ZINC000895743275 583715733 /nfs/dbraw/zinc/71/57/33/583715733.db2.gz FKPLQPMESURJCO-YTWAJWBKSA-N 1 2 245.319 0.456 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@H](OC)C1)[C@@H](C)O ZINC000895743893 583716072 /nfs/dbraw/zinc/71/60/72/583716072.db2.gz OXCGHMPUJGIROA-RCWTZXSCSA-N 1 2 245.319 0.456 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000895764721 583722444 /nfs/dbraw/zinc/72/24/44/583722444.db2.gz HYMQLIIEGVULFW-SSDOTTSWSA-N 1 2 210.237 0.411 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000895764721 583722445 /nfs/dbraw/zinc/72/24/45/583722445.db2.gz HYMQLIIEGVULFW-SSDOTTSWSA-N 1 2 210.237 0.411 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857947508 588924894 /nfs/dbraw/zinc/92/48/94/588924894.db2.gz SVXFFIJXILEHKC-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CCO/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944330 588924953 /nfs/dbraw/zinc/92/49/53/588924953.db2.gz LFBFPYNYPLBASN-DFVUYQKZSA-N 1 2 235.287 0.864 20 0 BCADLO COC[C@@H](CC(C)C)[NH2+][C@H]1CCOC1=O ZINC000895804668 583732016 /nfs/dbraw/zinc/73/20/16/583732016.db2.gz UIFIVIJBRIIBOP-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)[C@H]1SC ZINC000895807428 583732455 /nfs/dbraw/zinc/73/24/55/583732455.db2.gz OEMQMQQLMUSMQN-AXTSPUMRSA-N 1 2 245.344 0.801 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCO1 ZINC000857979821 588925581 /nfs/dbraw/zinc/92/55/81/588925581.db2.gz FPLIDFARGXHTIQ-WPRPVWTQSA-N 1 2 221.260 0.623 20 0 BCADLO C[C@H]1C[C@@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000727701993 583740210 /nfs/dbraw/zinc/74/02/10/583740210.db2.gz NQXVXDJYMJZIKH-UWVGGRQHSA-N 1 2 243.376 0.191 20 0 BCADLO COc1cccc2nc[nH+]c(N3CCOCN3)c21 ZINC000895922214 583746734 /nfs/dbraw/zinc/74/67/34/583746734.db2.gz ICMZAJZDSDTYFU-UHFFFAOYSA-N 1 2 246.270 0.937 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000335813129 583749241 /nfs/dbraw/zinc/74/92/41/583749241.db2.gz DTRUSIIZEFTCAS-WCBMZHEXSA-N 1 2 223.276 0.604 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(=O)[nH]cn1 ZINC000857974294 588926389 /nfs/dbraw/zinc/92/63/89/588926389.db2.gz FWIGWNBKFBYBRI-ZETCQYMHSA-N 1 2 245.242 0.254 20 0 BCADLO CO[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000895962875 583752656 /nfs/dbraw/zinc/75/26/56/583752656.db2.gz LPUAFCQLIGMSEF-JTQLQIEISA-N 1 2 211.265 0.523 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)ccc2O)CCO1 ZINC000895968645 583754872 /nfs/dbraw/zinc/75/48/72/583754872.db2.gz PWHDSKGNZVYSBR-LBPRGKRZSA-N 1 2 238.287 0.900 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)ccc2O)CCO1 ZINC000895968645 583754873 /nfs/dbraw/zinc/75/48/73/583754873.db2.gz PWHDSKGNZVYSBR-LBPRGKRZSA-N 1 2 238.287 0.900 20 0 BCADLO COCC1C[NH+](Cc2nccnc2OC)C1 ZINC000895969682 583755367 /nfs/dbraw/zinc/75/53/67/583755367.db2.gz KBQSLONKIVCOTO-UHFFFAOYSA-N 1 2 223.276 0.563 20 0 BCADLO CC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H](C)O ZINC000857978233 588926957 /nfs/dbraw/zinc/92/69/57/588926957.db2.gz CUXAOCZFNMLPNZ-KXUCPTDWSA-N 1 2 237.303 0.851 20 0 BCADLO CO[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978527 588926972 /nfs/dbraw/zinc/92/69/72/588926972.db2.gz HPWGLURLQOORGX-ONGXEEELSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCO1 ZINC000857979817 588927609 /nfs/dbraw/zinc/92/76/09/588927609.db2.gz FPLIDFARGXHTIQ-SCZZXKLOSA-N 1 2 221.260 0.623 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H](C)O ZINC000896041863 583766981 /nfs/dbraw/zinc/76/69/81/583766981.db2.gz RDCLRKRTMKZOKN-HUXNSBQSSA-N 1 2 245.319 0.192 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@@]12CCOC2 ZINC000857981555 588927987 /nfs/dbraw/zinc/92/79/87/588927987.db2.gz GVZJFLRLZZCVDQ-OPQQBVKSSA-N 1 2 247.298 0.871 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983051 588928066 /nfs/dbraw/zinc/92/80/66/588928066.db2.gz VJVPBBXQAJEPIV-RKDXNWHRSA-N 1 2 223.276 0.463 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CO1 ZINC000857982559 588928285 /nfs/dbraw/zinc/92/82/85/588928285.db2.gz PSTYHTOUMBKHCR-OPRDCNLKSA-N 1 2 235.287 0.869 20 0 BCADLO Cc1nc(NCC[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000896139975 583775419 /nfs/dbraw/zinc/77/54/19/583775419.db2.gz DHTCMATYPUKEGD-VIFPVBQESA-N 1 2 220.276 0.723 20 0 BCADLO Cc1nc(NCC[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000896139974 583775538 /nfs/dbraw/zinc/77/55/38/583775538.db2.gz DHTCMATYPUKEGD-SECBINFHSA-N 1 2 220.276 0.723 20 0 BCADLO O=C1C[C@H](CCNc2cc(CO)cc[nH+]2)CN1 ZINC000896135955 583775716 /nfs/dbraw/zinc/77/57/16/583775716.db2.gz SMBJDMKROMACME-VIFPVBQESA-N 1 2 235.287 0.512 20 0 BCADLO CCc1cc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000896154373 583776032 /nfs/dbraw/zinc/77/60/32/583776032.db2.gz BKVAYFMGKVJAET-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983432 588928719 /nfs/dbraw/zinc/92/87/19/588928719.db2.gz RRRBXCONMJCLTJ-SCZZXKLOSA-N 1 2 237.303 0.851 20 0 BCADLO CCC[C@@H](O)CCNc1nc(C)[nH+]c(N)n1 ZINC000896186629 583780809 /nfs/dbraw/zinc/78/08/09/583780809.db2.gz QGGHHNWERKHUJM-MRVPVSSYSA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@@H](O)CCNc1nc(N)nc(C)[nH+]1 ZINC000896186629 583780810 /nfs/dbraw/zinc/78/08/10/583780810.db2.gz QGGHHNWERKHUJM-MRVPVSSYSA-N 1 2 225.296 0.725 20 0 BCADLO C[S@](=O)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896218271 583783690 /nfs/dbraw/zinc/78/36/90/583783690.db2.gz KLEFTSQMCDXEAM-FVMDXXJSSA-N 1 2 246.376 0.354 20 0 BCADLO C[S@](=O)CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896218271 583783692 /nfs/dbraw/zinc/78/36/92/583783692.db2.gz KLEFTSQMCDXEAM-FVMDXXJSSA-N 1 2 246.376 0.354 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccn[nH]1 ZINC000857987229 588929161 /nfs/dbraw/zinc/92/91/61/588929161.db2.gz WPMXMKXPSLWZPK-SSDOTTSWSA-N 1 2 217.232 0.481 20 0 BCADLO COCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985680 588929181 /nfs/dbraw/zinc/92/91/81/588929181.db2.gz LIXAETJGESTXNA-SECBINFHSA-N 1 2 223.276 0.871 20 0 BCADLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cnn1C ZINC000857988002 588929409 /nfs/dbraw/zinc/92/94/09/588929409.db2.gz AJJQTBNRWRURTI-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]n1 ZINC000857986765 588929412 /nfs/dbraw/zinc/92/94/12/588929412.db2.gz SIYDPCDCRRPNMD-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cnccn1 ZINC000857991176 588930109 /nfs/dbraw/zinc/93/01/09/588930109.db2.gz VLWWRERSSAPSAP-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO CCO[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000896405691 583799813 /nfs/dbraw/zinc/79/98/13/583799813.db2.gz LDZWUEVVQDURCZ-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)CO)CCN2 ZINC000857999714 588930443 /nfs/dbraw/zinc/93/04/43/588930443.db2.gz KVERODGBGMEIMD-UHFFFAOYSA-N 1 2 207.233 0.141 20 0 BCADLO CNc1cc(NCCO[C@@H]2CCOC2)[nH+]cn1 ZINC000896473411 583803037 /nfs/dbraw/zinc/80/30/37/583803037.db2.gz LKECWDGOKJXNMC-SECBINFHSA-N 1 2 238.291 0.736 20 0 BCADLO CO[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCSC1 ZINC000896497931 583807208 /nfs/dbraw/zinc/80/72/08/583807208.db2.gz SJKIILDLJGHHLE-JTQLQIEISA-N 1 2 241.316 0.548 20 0 BCADLO CO[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCSC1 ZINC000896497931 583807211 /nfs/dbraw/zinc/80/72/11/583807211.db2.gz SJKIILDLJGHHLE-JTQLQIEISA-N 1 2 241.316 0.548 20 0 BCADLO C[C@@H]1CCN(C(=O)CO)C[C@@H]1n1cc[nH+]c1 ZINC000896515348 583808503 /nfs/dbraw/zinc/80/85/03/583808503.db2.gz ARWUTXFGSKTUCA-ZJUUUORDSA-N 1 2 223.276 0.285 20 0 BCADLO C[C@H](NC(=O)C1(C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557514 583812509 /nfs/dbraw/zinc/81/25/09/583812509.db2.gz VABXCZBRURZAFY-WDEREUQCSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1(C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896557514 583812511 /nfs/dbraw/zinc/81/25/11/583812511.db2.gz VABXCZBRURZAFY-WDEREUQCSA-N 1 2 239.363 0.537 20 0 BCADLO Nc1nc(N[C@H]2C[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000896695145 583824663 /nfs/dbraw/zinc/82/46/63/583824663.db2.gz NTFALSDCUDFGTL-FKQCQYRASA-N 1 2 235.291 0.514 20 0 BCADLO Nc1nc(N[C@H]2C[C@H](CO)C2)[nH+]c(C2CC2)n1 ZINC000896695145 583824664 /nfs/dbraw/zinc/82/46/64/583824664.db2.gz NTFALSDCUDFGTL-FKQCQYRASA-N 1 2 235.291 0.514 20 0 BCADLO CC[NH+](CC)Cc1nc(Cn2ccnn2)no1 ZINC000896694495 583824688 /nfs/dbraw/zinc/82/46/88/583824688.db2.gz KYUOEZVGKDTTQV-UHFFFAOYSA-N 1 2 236.279 0.551 20 0 BCADLO C[N@H+](CCn1cncn1)[C@H]1CC(C)(C)OC1=O ZINC000795651273 583830140 /nfs/dbraw/zinc/83/01/40/583830140.db2.gz JHHSESWUJLNPRU-VIFPVBQESA-N 1 2 238.291 0.304 20 0 BCADLO C[N@@H+](CCn1cncn1)[C@H]1CC(C)(C)OC1=O ZINC000795651273 583830141 /nfs/dbraw/zinc/83/01/41/583830141.db2.gz JHHSESWUJLNPRU-VIFPVBQESA-N 1 2 238.291 0.304 20 0 BCADLO CCn1ncc(CNCc2c[nH+]c3n2CCC3)n1 ZINC000858206040 588938559 /nfs/dbraw/zinc/93/85/59/588938559.db2.gz GBXISYQJCLZDCQ-UHFFFAOYSA-N 1 2 246.318 0.731 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cncc(OC)c2)n1 ZINC000858206513 588938572 /nfs/dbraw/zinc/93/85/72/588938572.db2.gz MZHGUTYWCIYXHE-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CCC1CC1 ZINC000896927905 583859707 /nfs/dbraw/zinc/85/97/07/583859707.db2.gz VIIJVQJWMWCYOL-QMMMGPOBSA-N 1 2 200.282 0.832 20 0 BCADLO Cc1[nH]c(CNC(=O)COC2CC2)[nH+]c1C ZINC000896905903 583851178 /nfs/dbraw/zinc/85/11/78/583851178.db2.gz NULVHHKBCSZKTC-UHFFFAOYSA-N 1 2 223.276 0.822 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnn(C)n2)[nH+]c1C ZINC000896910393 583852492 /nfs/dbraw/zinc/85/24/92/583852492.db2.gz OHIXCGXRXURQII-UHFFFAOYSA-N 1 2 234.263 0.085 20 0 BCADLO CCOCCNC(=S)NCCn1cc[nH+]c1 ZINC000750982028 583853963 /nfs/dbraw/zinc/85/39/63/583853963.db2.gz UOHDLMQTOZVOML-UHFFFAOYSA-N 1 2 242.348 0.384 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919289 583856384 /nfs/dbraw/zinc/85/63/84/583856384.db2.gz MMIKHAHXPCWZQC-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO CONC(=O)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000896924869 583857282 /nfs/dbraw/zinc/85/72/82/583857282.db2.gz PULBDMYRIUPPST-UHFFFAOYSA-N 1 2 244.241 0.775 20 0 BCADLO CONC(=O)C[NH2+]C1CC(SC)C1 ZINC000896925071 583857484 /nfs/dbraw/zinc/85/74/84/583857484.db2.gz SRBOVDXCPCCNKB-UHFFFAOYSA-N 1 2 204.295 0.148 20 0 BCADLO CCOC1CCC([NH2+]CC(=O)NOC)CC1 ZINC000896924422 583857495 /nfs/dbraw/zinc/85/74/95/583857495.db2.gz MHYPTDUXXHXVAP-UHFFFAOYSA-N 1 2 230.308 0.601 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CSCCF ZINC000896924099 583858478 /nfs/dbraw/zinc/85/84/78/583858478.db2.gz KELGJQKFPNFZHH-ZETCQYMHSA-N 1 2 224.301 0.345 20 0 BCADLO CONC(=O)C[NH2+]C1CC(C(C)C)C1 ZINC000896926994 583858509 /nfs/dbraw/zinc/85/85/09/583858509.db2.gz NOGDUGCQELPBOM-UHFFFAOYSA-N 1 2 200.282 0.688 20 0 BCADLO CONC(=O)C[NH2+]C1CC(OC(C)C)C1 ZINC000896927044 583858523 /nfs/dbraw/zinc/85/85/23/583858523.db2.gz ORLFJYTUAWMSDG-UHFFFAOYSA-N 1 2 216.281 0.210 20 0 BCADLO COCC1(C[NH2+]CC(=O)NOC)CCC1 ZINC000896923553 583858553 /nfs/dbraw/zinc/85/85/53/583858553.db2.gz GTELNMZTDCMSLO-UHFFFAOYSA-N 1 2 216.281 0.070 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)[nH]n1 ZINC000896923385 583858624 /nfs/dbraw/zinc/85/86/24/583858624.db2.gz JWPULPYHYJBCHI-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO CCc1nc(N2CC(N3CCCC3=O)C2)cc[nH+]1 ZINC000897049479 583873593 /nfs/dbraw/zinc/87/35/93/583873593.db2.gz GAPFOCCHFAOWTJ-UHFFFAOYSA-N 1 2 246.314 0.850 20 0 BCADLO OCc1cc[nH+]c(N[C@H]2CC23CC(O)C3)c1 ZINC000897086240 583878466 /nfs/dbraw/zinc/87/84/66/583878466.db2.gz BCFUFWQAEGGODY-YZRBJQDESA-N 1 2 220.272 0.899 20 0 BCADLO CN(C)c1cc(N[C@H]2CC23CC(O)C3)[nH+]cn1 ZINC000897086939 583878569 /nfs/dbraw/zinc/87/85/69/583878569.db2.gz HXIYIXIHDPZAKZ-XEVUQIKYSA-N 1 2 234.303 0.868 20 0 BCADLO CN(C)c1cc(N[C@H]2CC23CC(O)C3)nc[nH+]1 ZINC000897086939 583878572 /nfs/dbraw/zinc/87/85/72/583878572.db2.gz HXIYIXIHDPZAKZ-XEVUQIKYSA-N 1 2 234.303 0.868 20 0 BCADLO OC[C@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000897119749 583882617 /nfs/dbraw/zinc/88/26/17/583882617.db2.gz HYXRIEAEDLLUNZ-SECBINFHSA-N 1 2 205.261 0.925 20 0 BCADLO O=C(Nn1ccccc1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000897312793 583915729 /nfs/dbraw/zinc/91/57/29/583915729.db2.gz MSCSYSAXACUABX-RKDXNWHRSA-N 1 2 244.254 0.445 20 0 BCADLO O=C(Nn1ccccc1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000897312793 583915730 /nfs/dbraw/zinc/91/57/30/583915730.db2.gz MSCSYSAXACUABX-RKDXNWHRSA-N 1 2 244.254 0.445 20 0 BCADLO Cc1c[nH]nc1C(=O)NCCn1cc[nH+]c1 ZINC000669595854 583923989 /nfs/dbraw/zinc/92/39/89/583923989.db2.gz DVOFHQKYIWHCGT-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000897363047 583941494 /nfs/dbraw/zinc/94/14/94/583941494.db2.gz GWFFXGQJECZJRV-GXSJLCMTSA-N 1 2 237.303 0.504 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@H](O)[C@@H](F)C2)c1Cl ZINC000897377343 583946538 /nfs/dbraw/zinc/94/65/38/583946538.db2.gz DYUSJSGOLQLGMN-NTSWFWBYSA-N 1 2 246.673 0.621 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@H](O)[C@@H](F)C2)c1Cl ZINC000897377343 583946540 /nfs/dbraw/zinc/94/65/40/583946540.db2.gz DYUSJSGOLQLGMN-NTSWFWBYSA-N 1 2 246.673 0.621 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@H](F)C1 ZINC000897378140 583946785 /nfs/dbraw/zinc/94/67/85/583946785.db2.gz BOJLQWIZGHPAMQ-BDAKNGLRSA-N 1 2 226.251 0.999 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000858325459 588945425 /nfs/dbraw/zinc/94/54/25/588945425.db2.gz YMCUJLCZTAYDLP-MRVPVSSYSA-N 1 2 243.332 0.949 20 0 BCADLO COC[C@@H]1CCCN1NC(=O)Cc1[nH]cc[nH+]1 ZINC000862592762 583965244 /nfs/dbraw/zinc/96/52/44/583965244.db2.gz ZRXDWWSHZGRWCH-VIFPVBQESA-N 1 2 238.291 0.094 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]1CO ZINC000889152120 583969838 /nfs/dbraw/zinc/96/98/38/583969838.db2.gz MPTAXLQYJPFPPD-ONGXEEELSA-N 1 2 235.287 0.039 20 0 BCADLO CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCC1 ZINC000866963044 583972666 /nfs/dbraw/zinc/97/26/66/583972666.db2.gz CEACIRJYCKDKIP-DUXPYHPUSA-N 1 2 238.331 0.934 20 0 BCADLO CC[C@H](CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352066316 583977932 /nfs/dbraw/zinc/97/79/32/583977932.db2.gz XCNXVPULMXUYQL-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@H](CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352066316 583977935 /nfs/dbraw/zinc/97/79/35/583977935.db2.gz XCNXVPULMXUYQL-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]1CO ZINC000889157201 583981720 /nfs/dbraw/zinc/98/17/20/583981720.db2.gz NSNKHYZMMASTBL-LLVKDONJSA-N 1 2 249.314 0.355 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=COCC1 ZINC000729261229 583984200 /nfs/dbraw/zinc/98/42/00/583984200.db2.gz XLUARVKMUFZPNM-VIFPVBQESA-N 1 2 221.260 0.692 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000897449159 583987085 /nfs/dbraw/zinc/98/70/85/583987085.db2.gz QCBCPZZAPDYDPF-GARJFASQSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000897449158 583987223 /nfs/dbraw/zinc/98/72/23/583987223.db2.gz QCBCPZZAPDYDPF-DCAQKATOSA-N 1 2 249.314 0.739 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729294546 583989566 /nfs/dbraw/zinc/98/95/66/583989566.db2.gz NIQVXPTYUNEVBT-VIFPVBQESA-N 1 2 229.276 0.387 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000729294546 583989567 /nfs/dbraw/zinc/98/95/67/583989567.db2.gz NIQVXPTYUNEVBT-VIFPVBQESA-N 1 2 229.276 0.387 20 0 BCADLO Cn1cccc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897752718 584044048 /nfs/dbraw/zinc/04/40/48/584044048.db2.gz PQFYQQRDFSXXNO-UHFFFAOYSA-N 1 2 235.287 0.709 20 0 BCADLO C[C@@H](C[NH+](C)C)NC(=O)c1cncc2nc[nH]c21 ZINC000897760001 584044545 /nfs/dbraw/zinc/04/45/45/584044545.db2.gz FHDCMUZDUMTVPD-QMMMGPOBSA-N 1 2 247.302 0.638 20 0 BCADLO CCC[C@@H]([NH2+][C@H](C)COC(C)=O)C(=O)OC ZINC000897833519 584053062 /nfs/dbraw/zinc/05/30/62/584053062.db2.gz NNIHDBCYSZBAQR-PSASIEDQSA-N 1 2 231.292 0.869 20 0 BCADLO Cc1cc(C[NH2+][C@]2(C)CCNC2=O)no1 ZINC000897868038 584055287 /nfs/dbraw/zinc/05/52/87/584055287.db2.gz FFQIJDASKKFCAS-SNVBAGLBSA-N 1 2 209.249 0.351 20 0 BCADLO C[C@]1([NH2+]Cc2cn(C3CCC3)nn2)CCNC1=O ZINC000897868894 584055511 /nfs/dbraw/zinc/05/55/11/584055511.db2.gz NMOOXRIZYCAWGB-LBPRGKRZSA-N 1 2 249.318 0.371 20 0 BCADLO C[C@]1([NH2+]Cc2n[nH]c3ccccc32)CCNC1=O ZINC000897871106 584056140 /nfs/dbraw/zinc/05/61/40/584056140.db2.gz HARSAWJWIHCCTM-ZDUSSCGKSA-N 1 2 244.298 0.931 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H](C)CO1 ZINC000897891611 584057911 /nfs/dbraw/zinc/05/79/11/584057911.db2.gz YHSBOKCVHDMXGG-UWVGGRQHSA-N 1 2 237.303 0.944 20 0 BCADLO Cc1ccnc(N)c1C[NH2+]Cc1cn(C)cn1 ZINC000898042843 584080831 /nfs/dbraw/zinc/08/08/31/584080831.db2.gz ZNHVQBFFIHBSII-UHFFFAOYSA-N 1 2 231.303 0.996 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000898098654 584085444 /nfs/dbraw/zinc/08/54/44/584085444.db2.gz CBVWHPSWNHKNNN-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](O)[C@H](F)C2)[nH+]1 ZINC000898188159 584093695 /nfs/dbraw/zinc/09/36/95/584093695.db2.gz KQLTUKKJZZOGSH-RKDXNWHRSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898188585 584094278 /nfs/dbraw/zinc/09/42/78/584094278.db2.gz NYTMKPYCIWMKPU-KOLCDFICSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898188585 584094280 /nfs/dbraw/zinc/09/42/80/584094280.db2.gz NYTMKPYCIWMKPU-KOLCDFICSA-N 1 2 227.283 0.633 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cnn3c2CCC3)C[C@H]1F ZINC000898188749 584094620 /nfs/dbraw/zinc/09/46/20/584094620.db2.gz ORRCTFCSRWFYRJ-ZYHUDNBSSA-N 1 2 239.294 0.734 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cnn3c2CCC3)C[C@H]1F ZINC000898188749 584094621 /nfs/dbraw/zinc/09/46/21/584094621.db2.gz ORRCTFCSRWFYRJ-ZYHUDNBSSA-N 1 2 239.294 0.734 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898193409 584096362 /nfs/dbraw/zinc/09/63/62/584096362.db2.gz PJHYIYRDMXQEJC-QWRGUYRKSA-N 1 2 212.268 0.930 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898193409 584096364 /nfs/dbraw/zinc/09/63/64/584096364.db2.gz PJHYIYRDMXQEJC-QWRGUYRKSA-N 1 2 212.268 0.930 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)[C@@H]2CCCN2C1=O ZINC000730098517 584123358 /nfs/dbraw/zinc/12/33/58/584123358.db2.gz ILHCPRDYJMQNCN-VIFPVBQESA-N 1 2 248.286 0.830 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)[C@H]2CCCN2C1=O ZINC000730098516 584123427 /nfs/dbraw/zinc/12/34/27/584123427.db2.gz ILHCPRDYJMQNCN-SECBINFHSA-N 1 2 248.286 0.830 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000252885566 584124321 /nfs/dbraw/zinc/12/43/21/584124321.db2.gz YCCWHXFYBWACAY-LPEHRKFASA-N 1 2 223.276 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000252885566 584124323 /nfs/dbraw/zinc/12/43/23/584124323.db2.gz YCCWHXFYBWACAY-LPEHRKFASA-N 1 2 223.276 0.581 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CCCO1 ZINC000898484637 584139422 /nfs/dbraw/zinc/13/94/22/584139422.db2.gz VMGQBZKSYAOOLJ-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CCCO1 ZINC000898484637 584139424 /nfs/dbraw/zinc/13/94/24/584139424.db2.gz VMGQBZKSYAOOLJ-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO CCCOCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898491788 584139929 /nfs/dbraw/zinc/13/99/29/584139929.db2.gz OHSGOVFCOFGOMR-NSHDSACASA-N 1 2 246.326 0.963 20 0 BCADLO CCCOCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898491788 584139931 /nfs/dbraw/zinc/13/99/31/584139931.db2.gz OHSGOVFCOFGOMR-NSHDSACASA-N 1 2 246.326 0.963 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cnco1 ZINC000898495683 584140329 /nfs/dbraw/zinc/14/03/29/584140329.db2.gz NRFYEXPDTQEFSW-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cnco1 ZINC000898495683 584140330 /nfs/dbraw/zinc/14/03/30/584140330.db2.gz NRFYEXPDTQEFSW-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnccn1 ZINC000898557458 584141763 /nfs/dbraw/zinc/14/17/63/584141763.db2.gz DAYSYZKNUXFFKO-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnccn1 ZINC000898557458 584141766 /nfs/dbraw/zinc/14/17/66/584141766.db2.gz DAYSYZKNUXFFKO-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CN(CCCF)C(=O)NCc1cn(C)c[nH+]1 ZINC000898612189 584146218 /nfs/dbraw/zinc/14/62/18/584146218.db2.gz HZVRLTPJEPAMOI-UHFFFAOYSA-N 1 2 228.271 0.921 20 0 BCADLO CC[C@H](O)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629224 584146859 /nfs/dbraw/zinc/14/68/59/584146859.db2.gz ZKYOVJYVEVRRLV-JTQLQIEISA-N 1 2 240.307 0.380 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H](CF)C2)c1 ZINC000898615613 584146906 /nfs/dbraw/zinc/14/69/06/584146906.db2.gz NKUBRAJXCPWDIY-VIFPVBQESA-N 1 2 240.282 0.921 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC2(O)CCC2)c1 ZINC000898629850 584146991 /nfs/dbraw/zinc/14/69/91/584146991.db2.gz VPPIVCODAUPKIK-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NC2(C)COC2)c1 ZINC000898615476 584147026 /nfs/dbraw/zinc/14/70/26/584147026.db2.gz MHGXJCNFRPCFCZ-UHFFFAOYSA-N 1 2 224.264 0.008 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC000898615975 584147224 /nfs/dbraw/zinc/14/72/24/584147224.db2.gz SHQOCIUBLHZNDC-UWVGGRQHSA-N 1 2 238.291 0.133 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H](F)C2)c1 ZINC000898618882 584147528 /nfs/dbraw/zinc/14/75/28/584147528.db2.gz CUWGACZGVXONIM-MRVPVSSYSA-N 1 2 226.255 0.674 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619989 584147561 /nfs/dbraw/zinc/14/75/61/584147561.db2.gz FCUISMKPQGKLRB-WCBMZHEXSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898618732 584148008 /nfs/dbraw/zinc/14/80/08/584148008.db2.gz BEKHGTKRAXQCIN-DTWKUNHWSA-N 1 2 222.292 0.970 20 0 BCADLO COC[C@H]1CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619224 584148015 /nfs/dbraw/zinc/14/80/15/584148015.db2.gz HXDAPJDQDGKLCC-SNVBAGLBSA-N 1 2 238.291 0.350 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000898744781 584155854 /nfs/dbraw/zinc/15/58/54/584155854.db2.gz HOHQAGZBKBCCQS-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000898744781 584155856 /nfs/dbraw/zinc/15/58/56/584155856.db2.gz HOHQAGZBKBCCQS-ZETCQYMHSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000898744980 584156455 /nfs/dbraw/zinc/15/64/55/584156455.db2.gz KACOYVREENPXOX-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NOC1CCC1 ZINC000858510127 588961762 /nfs/dbraw/zinc/96/17/62/588961762.db2.gz ZYTHHZIRZGQVRZ-VIFPVBQESA-N 1 2 243.307 0.100 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NOC1CCC1 ZINC000858510127 588961764 /nfs/dbraw/zinc/96/17/64/588961764.db2.gz ZYTHHZIRZGQVRZ-VIFPVBQESA-N 1 2 243.307 0.100 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898810153 584160293 /nfs/dbraw/zinc/16/02/93/584160293.db2.gz JIMVYCRIPDRKQI-ATZCPNFKSA-N 1 2 235.287 0.869 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CCC1 ZINC000898880276 584162195 /nfs/dbraw/zinc/16/21/95/584162195.db2.gz ASBNGWCRXCXBOD-SECBINFHSA-N 1 2 223.276 0.370 20 0 BCADLO Cn1cccc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898879686 584162608 /nfs/dbraw/zinc/16/26/08/584162608.db2.gz ROVJFIVFNULUHI-VIFPVBQESA-N 1 2 248.286 0.222 20 0 BCADLO CS[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884740 584163957 /nfs/dbraw/zinc/16/39/57/584163957.db2.gz STSGKXUYURHJQL-SFYZADRCSA-N 1 2 243.332 0.321 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccnc1 ZINC000898881277 584164803 /nfs/dbraw/zinc/16/48/03/584164803.db2.gz JWTWSRZKTCBJTL-SNVBAGLBSA-N 1 2 246.270 0.279 20 0 BCADLO CCC(F)(F)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898895213 584164971 /nfs/dbraw/zinc/16/49/71/584164971.db2.gz FVFJZQAQKJUKSW-SSDOTTSWSA-N 1 2 247.245 0.615 20 0 BCADLO Cc1cocc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898895542 584165380 /nfs/dbraw/zinc/16/53/80/584165380.db2.gz JOYNXVIUWCOKOT-JTQLQIEISA-N 1 2 249.270 0.785 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CO)CC1(C)C ZINC000899145690 584176985 /nfs/dbraw/zinc/17/69/85/584176985.db2.gz BYBPULURNNNFHB-VIFPVBQESA-N 1 2 223.276 0.322 20 0 BCADLO Fc1nccnc1N1CCc2[nH+]c[nH]c2C1 ZINC000858550187 588964896 /nfs/dbraw/zinc/96/48/96/588964896.db2.gz KBVQFKFPBMILPT-UHFFFAOYSA-N 1 2 219.223 0.902 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000899744089 584236740 /nfs/dbraw/zinc/23/67/40/584236740.db2.gz QYXRTTNDRMCSRB-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO CCn1cc(C[N@H+](C)C2(CO)CC2)nn1 ZINC000899864061 584244478 /nfs/dbraw/zinc/24/44/78/584244478.db2.gz FMKLPAYKZSQZQY-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1cc(C[N@@H+](C)C2(CO)CC2)nn1 ZINC000899864061 584244479 /nfs/dbraw/zinc/24/44/79/584244479.db2.gz FMKLPAYKZSQZQY-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@](O)(C[NH+]1CC(N2CCCC2=O)C1)C(F)F ZINC000899909210 584249311 /nfs/dbraw/zinc/24/93/11/584249311.db2.gz XCDQJYKZWNGDHX-LLVKDONJSA-N 1 2 248.273 0.309 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000858579301 588968909 /nfs/dbraw/zinc/96/89/09/588968909.db2.gz DLIPYZGBPTZTFP-BDAKNGLRSA-N 1 2 240.307 0.479 20 0 BCADLO CN(C)c1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000899903924 584250462 /nfs/dbraw/zinc/25/04/62/584250462.db2.gz CZFDNSSNCQLXCF-UHFFFAOYSA-N 1 2 248.330 0.535 20 0 BCADLO C/C(=C\C(=O)NC1CC1)C[NH+]1CCOCC1 ZINC000899926400 584255600 /nfs/dbraw/zinc/25/56/00/584255600.db2.gz GLMCKAVDPMPVOP-CSKARUKUSA-N 1 2 224.304 0.544 20 0 BCADLO C/C(Cl)=C\C(=O)NCC[NH+]1CCOCC1 ZINC000899928638 584256109 /nfs/dbraw/zinc/25/61/09/584256109.db2.gz LOIPRYOFUNOBRL-CMDGGOBGSA-N 1 2 232.711 0.577 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899921755 584256748 /nfs/dbraw/zinc/25/67/48/584256748.db2.gz ZNVVLKRFOAESJV-XCRNYIDWSA-N 1 2 223.276 0.326 20 0 BCADLO COC(=O)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900013509 584263459 /nfs/dbraw/zinc/26/34/59/584263459.db2.gz ZKDZPEDRKRGSEJ-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO COC(=O)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900013509 584263461 /nfs/dbraw/zinc/26/34/61/584263461.db2.gz ZKDZPEDRKRGSEJ-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NC1=[NH+]CCS1 ZINC000900005692 584264222 /nfs/dbraw/zinc/26/42/22/584264222.db2.gz GNRVMJSMJIQXOX-WTSVBCDHSA-N 1 2 228.317 0.923 20 0 BCADLO CCONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900075665 584269037 /nfs/dbraw/zinc/26/90/37/584269037.db2.gz BBBFBUCMXZKDPT-CSKARUKUSA-N 1 2 228.292 0.333 20 0 BCADLO CCONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900075669 584269243 /nfs/dbraw/zinc/26/92/43/584269243.db2.gz BBBFBUCMXZKDPT-NTMALXAHSA-N 1 2 228.292 0.333 20 0 BCADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(F)(F)F ZINC000900100907 584271138 /nfs/dbraw/zinc/27/11/38/584271138.db2.gz MPSAPRBCIYWMQL-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(F)(F)F ZINC000900100907 584271140 /nfs/dbraw/zinc/27/11/40/584271140.db2.gz MPSAPRBCIYWMQL-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO C/C(=C\C(=O)NCC1CC1)C[NH+]1CCOCC1 ZINC000900082127 584272545 /nfs/dbraw/zinc/27/25/45/584272545.db2.gz KJYLOKZBCRPBBH-DHZHZOJOSA-N 1 2 238.331 0.791 20 0 BCADLO COC(=O)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900120595 584275460 /nfs/dbraw/zinc/27/54/60/584275460.db2.gz BLKJBIBKXQOONL-SECBINFHSA-N 1 2 237.259 0.116 20 0 BCADLO CCN(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900143637 584277119 /nfs/dbraw/zinc/27/71/19/584277119.db2.gz KZHYFZVYJBHXHD-LUAWRHEFSA-N 1 2 226.320 0.743 20 0 BCADLO CC[C@H](CO)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900144131 584277207 /nfs/dbraw/zinc/27/72/07/584277207.db2.gz AUMMWMHSOIYSGC-SECBINFHSA-N 1 2 237.303 0.932 20 0 BCADLO CC(C)[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157346 584280304 /nfs/dbraw/zinc/28/03/04/584280304.db2.gz JKJUXRKMKCVNQJ-SECBINFHSA-N 1 2 236.275 0.497 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158875 584280402 /nfs/dbraw/zinc/28/04/02/584280402.db2.gz YCVFZMXESOSHNW-QMMMGPOBSA-N 1 2 222.248 0.251 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900158527 584280722 /nfs/dbraw/zinc/28/07/22/584280722.db2.gz UYAKJZPRMKKDQV-UMBAGQNISA-N 1 2 248.286 0.807 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)CN(C3CC3)C2=O)c1 ZINC000900157918 584280735 /nfs/dbraw/zinc/28/07/35/584280735.db2.gz OLBOVMPJDDBCQK-UHFFFAOYSA-N 1 2 234.259 0.347 20 0 BCADLO C[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900161418 584281069 /nfs/dbraw/zinc/28/10/69/584281069.db2.gz WWMHHRWUISQYLK-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO C/C(=C\C(=O)N(C)C1CC1)C[NH+]1CCOCC1 ZINC000900170925 584282246 /nfs/dbraw/zinc/28/22/46/584282246.db2.gz UOMVWEQSHPRGLT-PKNBQFBNSA-N 1 2 238.331 0.886 20 0 BCADLO CCn1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900188361 584284176 /nfs/dbraw/zinc/28/41/76/584284176.db2.gz SRFRQNQDLCBFOR-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO CCn1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900188361 584284178 /nfs/dbraw/zinc/28/41/78/584284178.db2.gz SRFRQNQDLCBFOR-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000900197117 584285536 /nfs/dbraw/zinc/28/55/36/584285536.db2.gz NIOBBRAPVAMGSD-MALLOTDXSA-N 1 2 249.314 0.701 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCF ZINC000900208535 584286479 /nfs/dbraw/zinc/28/64/79/584286479.db2.gz KUXZBBDTTPVRDQ-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000900216383 584286564 /nfs/dbraw/zinc/28/65/64/584286564.db2.gz UNSBMEKPOIVJES-AXFHLTTASA-N 1 2 239.319 0.795 20 0 BCADLO COC(=O)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900201364 584287306 /nfs/dbraw/zinc/28/73/06/584287306.db2.gz YSGCCXPBALHQEO-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO CCOCCNC(=O)CNc1cccc[nH+]1 ZINC000900243676 584288412 /nfs/dbraw/zinc/28/84/12/584288412.db2.gz YRMFNGIXXPDZLP-UHFFFAOYSA-N 1 2 223.276 0.646 20 0 BCADLO C/C=C/[C@@H](O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449512 584312023 /nfs/dbraw/zinc/31/20/23/584312023.db2.gz SUBXIAZXWMPXQQ-QAVQXKDTSA-N 1 2 249.314 0.984 20 0 BCADLO CC[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000900463242 584313909 /nfs/dbraw/zinc/31/39/09/584313909.db2.gz DAWUGDGPQVSVDE-NSHDSACASA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@](C)(NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000900463242 584313911 /nfs/dbraw/zinc/31/39/11/584313911.db2.gz DAWUGDGPQVSVDE-NSHDSACASA-N 1 2 239.275 0.410 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC(=O)OCC1CC1 ZINC000900500223 584319213 /nfs/dbraw/zinc/31/92/13/584319213.db2.gz GTLUMTSGZFBILB-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC(=O)OCC1CC1 ZINC000900500223 584319214 /nfs/dbraw/zinc/31/92/14/584319214.db2.gz GTLUMTSGZFBILB-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO CO[C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900505277 584319507 /nfs/dbraw/zinc/31/95/07/584319507.db2.gz ATPRPUKRJUDEEJ-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CO[C@H](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900505277 584319510 /nfs/dbraw/zinc/31/95/10/584319510.db2.gz ATPRPUKRJUDEEJ-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CCn1nccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900509781 584320366 /nfs/dbraw/zinc/32/03/66/584320366.db2.gz QKSHSDBGVDCNDI-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO CCn1nccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900509781 584320367 /nfs/dbraw/zinc/32/03/67/584320367.db2.gz QKSHSDBGVDCNDI-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC000900528361 584323023 /nfs/dbraw/zinc/32/30/23/584323023.db2.gz QXFVGMXYKGTIKY-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C/C=C/[C@H](O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900561472 584325165 /nfs/dbraw/zinc/32/51/65/584325165.db2.gz JFMXDMBTMPQJNL-LZUDYNRMSA-N 1 2 249.314 0.984 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCCOC1 ZINC000900604216 584330872 /nfs/dbraw/zinc/33/08/72/584330872.db2.gz CGKLBGBLHRQOCQ-SNVBAGLBSA-N 1 2 235.287 0.789 20 0 BCADLO CCCOC(=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900609699 584331105 /nfs/dbraw/zinc/33/11/05/584331105.db2.gz CKQVOSVCXGDODU-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCCOC(=O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900609699 584331107 /nfs/dbraw/zinc/33/11/07/584331107.db2.gz CKQVOSVCXGDODU-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000900611039 584331171 /nfs/dbraw/zinc/33/11/71/584331171.db2.gz PHDPNDGJSXSVSO-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000900610093 584331333 /nfs/dbraw/zinc/33/13/33/584331333.db2.gz ISFVHNHBNUTMMZ-VIFPVBQESA-N 1 2 209.249 0.200 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900615554 584332565 /nfs/dbraw/zinc/33/25/65/584332565.db2.gz BAAXQJKDRPTCQP-UMBAGQNISA-N 1 2 206.245 0.687 20 0 BCADLO Cc1cc(C)[nH+]c(Cn2cc(CON)nn2)c1 ZINC000900622784 584333068 /nfs/dbraw/zinc/33/30/68/584333068.db2.gz TURZCKTUMBDGCU-UHFFFAOYSA-N 1 2 233.275 0.729 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646697 584335194 /nfs/dbraw/zinc/33/51/94/584335194.db2.gz HZMWZWLJIYPHQB-YAJNLLPGSA-N 1 2 209.249 0.005 20 0 BCADLO COCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900672944 584339928 /nfs/dbraw/zinc/33/99/28/584339928.db2.gz MRWYGSZCNBMQDU-UHFFFAOYSA-N 1 2 237.303 0.837 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000900754531 584345576 /nfs/dbraw/zinc/34/55/76/584345576.db2.gz KMMIJLSDQONUCT-WPPTZLTKSA-N 1 2 249.314 0.937 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NCC[C@H](C)O ZINC000900759061 584346240 /nfs/dbraw/zinc/34/62/40/584346240.db2.gz XUNYYUVKOXOLPN-VIFPVBQESA-N 1 2 237.303 0.932 20 0 BCADLO CC(C)(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900745410 584348825 /nfs/dbraw/zinc/34/88/25/584348825.db2.gz KWRFNRQCELDOOM-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)C[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900745410 584348827 /nfs/dbraw/zinc/34/88/27/584348827.db2.gz KWRFNRQCELDOOM-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO COC[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900790932 584351940 /nfs/dbraw/zinc/35/19/40/584351940.db2.gz XBGNEGZMPJFVTL-NSHDSACASA-N 1 2 249.314 0.988 20 0 BCADLO CSC[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900788978 584352165 /nfs/dbraw/zinc/35/21/65/584352165.db2.gz YEIAQKIOKBSSOY-SNVBAGLBSA-N 1 2 243.332 0.182 20 0 BCADLO CSC[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900788978 584352166 /nfs/dbraw/zinc/35/21/66/584352166.db2.gz YEIAQKIOKBSSOY-SNVBAGLBSA-N 1 2 243.332 0.182 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000900867291 584363256 /nfs/dbraw/zinc/36/32/56/584363256.db2.gz LUAHOCJTBSEEOV-WCBMZHEXSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CCC[C@H]1O ZINC000900867291 584363257 /nfs/dbraw/zinc/36/32/57/584363257.db2.gz LUAHOCJTBSEEOV-WCBMZHEXSA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CNc1cccc[nH+]1 ZINC000900899574 584363504 /nfs/dbraw/zinc/36/35/04/584363504.db2.gz GVZPDFOYWIAJEZ-GFCCVEGCSA-N 1 2 237.303 0.771 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCSC1 ZINC000900870015 584363660 /nfs/dbraw/zinc/36/36/60/584363660.db2.gz ZXCGLHWSNIOWEA-SSDOTTSWSA-N 1 2 211.290 0.574 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCSC1 ZINC000900870015 584363662 /nfs/dbraw/zinc/36/36/62/584363662.db2.gz ZXCGLHWSNIOWEA-SSDOTTSWSA-N 1 2 211.290 0.574 20 0 BCADLO CCc1cc(N[C@@H](C)C(=O)N(C)OC)nc[nH+]1 ZINC000858834415 588977906 /nfs/dbraw/zinc/97/79/06/588977906.db2.gz YOBVGYOEBPBNRG-QMMMGPOBSA-N 1 2 238.291 0.859 20 0 BCADLO CCOC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900938951 584368000 /nfs/dbraw/zinc/36/80/00/584368000.db2.gz GKSIHFULKKAPMK-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO Cn1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000900941593 584368672 /nfs/dbraw/zinc/36/86/72/584368672.db2.gz SKRIKLSIYUTGGT-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO Cn1ccc(CNC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000900941593 584368674 /nfs/dbraw/zinc/36/86/74/584368674.db2.gz SKRIKLSIYUTGGT-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOc2ccncc21 ZINC000900973678 584369719 /nfs/dbraw/zinc/36/97/19/584369719.db2.gz RQPLIRYFIGJNGA-UHFFFAOYSA-N 1 2 244.254 0.773 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCSC1 ZINC000900954574 584370968 /nfs/dbraw/zinc/37/09/68/584370968.db2.gz MEVJQQNVWJPBGO-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCCSC1 ZINC000900954574 584370970 /nfs/dbraw/zinc/37/09/70/584370970.db2.gz MEVJQQNVWJPBGO-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H]2CC(C)=NO2)[nH+]c1C ZINC000901001319 584373167 /nfs/dbraw/zinc/37/31/67/584373167.db2.gz UJZXJRUHNAOEJH-VIFPVBQESA-N 1 2 236.275 0.808 20 0 BCADLO Cc1nc(CNC(=O)Cn2cc[nH+]c2)[nH]c1C ZINC000901001486 584373306 /nfs/dbraw/zinc/37/33/06/584373306.db2.gz WRSZZCPELKLMKW-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)CNc1cccc[nH+]1 ZINC000901004931 584373972 /nfs/dbraw/zinc/37/39/72/584373972.db2.gz ROFULUTZIXGNEO-NSHDSACASA-N 1 2 249.314 0.723 20 0 BCADLO C[C@@H](CCCO)NC(=O)CNc1cccc[nH+]1 ZINC000901016065 584374499 /nfs/dbraw/zinc/37/44/99/584374499.db2.gz HEOAUGOGPACTTQ-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO COC[C@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900997931 584375005 /nfs/dbraw/zinc/37/50/05/584375005.db2.gz POHNHGGMLZEAIS-NSHDSACASA-N 1 2 241.291 0.040 20 0 BCADLO CON(C)C(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000858842652 588978565 /nfs/dbraw/zinc/97/85/65/588978565.db2.gz RXROZEPFLDASHP-MRVPVSSYSA-N 1 2 224.264 0.605 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901072064 584378190 /nfs/dbraw/zinc/37/81/90/584378190.db2.gz CDBZPZKQOPZERR-PSASIEDQSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901072064 584378192 /nfs/dbraw/zinc/37/81/92/584378192.db2.gz CDBZPZKQOPZERR-PSASIEDQSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000901073652 584381366 /nfs/dbraw/zinc/38/13/66/584381366.db2.gz WNIOIRSBUGPSGK-SNVBAGLBSA-N 1 2 237.303 0.627 20 0 BCADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N=c1nc[nH]n1C ZINC000901083816 584382456 /nfs/dbraw/zinc/38/24/56/584382456.db2.gz RJOHRTDPNNMXCB-RKDXNWHRSA-N 1 2 237.307 0.048 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H](CCO)C1CC1 ZINC000901093943 584384229 /nfs/dbraw/zinc/38/42/29/584384229.db2.gz LKKAGORVLNZLTJ-NSHDSACASA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)[nH]n1 ZINC000901122913 584387173 /nfs/dbraw/zinc/38/71/73/584387173.db2.gz NIJUGRJVMWWTQP-QMMMGPOBSA-N 1 2 247.302 0.731 20 0 BCADLO O=C(CCF)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147815 584391272 /nfs/dbraw/zinc/39/12/72/584391272.db2.gz LCJHDIISCCRGML-ZETCQYMHSA-N 1 2 211.240 0.743 20 0 BCADLO O=C(CCF)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147815 584391273 /nfs/dbraw/zinc/39/12/73/584391273.db2.gz LCJHDIISCCRGML-ZETCQYMHSA-N 1 2 211.240 0.743 20 0 BCADLO C/C=C/[C@H](O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000901202032 584399031 /nfs/dbraw/zinc/39/90/31/584399031.db2.gz ABBVDQURCVVYSD-SEUFLZDSSA-N 1 2 249.314 0.673 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000901211747 584400860 /nfs/dbraw/zinc/40/08/60/584400860.db2.gz HBTISYDHJLNEQR-SECBINFHSA-N 1 2 225.317 0.916 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H]1CO ZINC000901217846 584401840 /nfs/dbraw/zinc/40/18/40/584401840.db2.gz MKOJQKYNLGHVHW-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO C[C@@H](CO)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901230750 584403379 /nfs/dbraw/zinc/40/33/79/584403379.db2.gz QZLIEIDJEHFJBS-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO C[C@@H](CO)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901230750 584403380 /nfs/dbraw/zinc/40/33/80/584403380.db2.gz QZLIEIDJEHFJBS-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@H]1C1CC1 ZINC000901239419 584406148 /nfs/dbraw/zinc/40/61/48/584406148.db2.gz CWELWEPIOPYSRL-NSHDSACASA-N 1 2 235.287 0.590 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NN1CCCCC1 ZINC000901222795 584411386 /nfs/dbraw/zinc/41/13/86/584411386.db2.gz BYCSBAGNNPOMPI-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NN1CCCCC1 ZINC000901222795 584411389 /nfs/dbraw/zinc/41/13/89/584411389.db2.gz BYCSBAGNNPOMPI-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901277058 584413258 /nfs/dbraw/zinc/41/32/58/584413258.db2.gz UVXOGGMREGTZTH-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO CC(C)(CNC(=O)OCCF)[NH+]1CCOCC1 ZINC000858879747 588981439 /nfs/dbraw/zinc/98/14/39/588981439.db2.gz SRKSMPPZSDQORR-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000901278845 584413977 /nfs/dbraw/zinc/41/39/77/584413977.db2.gz MURIPGLWDOQINE-VIFPVBQESA-N 1 2 237.303 0.769 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccc[nH]1 ZINC000901254451 584415589 /nfs/dbraw/zinc/41/55/89/584415589.db2.gz DLAFQKDEBGMFPV-UHFFFAOYSA-N 1 2 218.260 0.639 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCc1ccc[nH]1 ZINC000901254451 584415590 /nfs/dbraw/zinc/41/55/90/584415590.db2.gz DLAFQKDEBGMFPV-UHFFFAOYSA-N 1 2 218.260 0.639 20 0 BCADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1ncon1 ZINC000901267438 584418236 /nfs/dbraw/zinc/41/82/36/584418236.db2.gz LGRMLGIBGGTCDC-MRVPVSSYSA-N 1 2 247.258 0.754 20 0 BCADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000901284642 584421585 /nfs/dbraw/zinc/42/15/85/584421585.db2.gz HDDCJDRBGNZZRT-UWVGGRQHSA-N 1 2 235.287 0.333 20 0 BCADLO CCCCN(CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000901322271 584430021 /nfs/dbraw/zinc/43/00/21/584430021.db2.gz NHWJLPFOECGIQN-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO Cc1[nH+]cc(C[NH2+]C(C)(C)C(=O)[O-])n1C ZINC000901488322 584452359 /nfs/dbraw/zinc/45/23/59/584452359.db2.gz HZTGLZCQXKGSLD-UHFFFAOYSA-N 1 2 211.265 0.681 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902024836 584512477 /nfs/dbraw/zinc/51/24/77/584512477.db2.gz BWPVGFHDBBZCJU-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902024836 584512478 /nfs/dbraw/zinc/51/24/78/584512478.db2.gz BWPVGFHDBBZCJU-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@H]1C[N@H+](CN2CCOC2=O)CC(C)(C)O1 ZINC000902079740 584520507 /nfs/dbraw/zinc/52/05/07/584520507.db2.gz WMBVDMLVZGULMG-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCOC2=O)CC(C)(C)O1 ZINC000902079740 584520509 /nfs/dbraw/zinc/52/05/09/584520509.db2.gz WMBVDMLVZGULMG-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[C@@H]1OCC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H]1C ZINC000902186599 584533959 /nfs/dbraw/zinc/53/39/59/584533959.db2.gz UMAPJBGEAVBPOC-NAKRPEOUSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1OCC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H]1C ZINC000902186599 584533960 /nfs/dbraw/zinc/53/39/60/584533960.db2.gz UMAPJBGEAVBPOC-NAKRPEOUSA-N 1 2 224.304 0.531 20 0 BCADLO O=C1N(C[N@H+]2CC=CCC2)C[C@]12CCCOC2 ZINC000902213973 584536218 /nfs/dbraw/zinc/53/62/18/584536218.db2.gz RKAPQZPBBMCNPE-ZDUSSCGKSA-N 1 2 236.315 0.845 20 0 BCADLO O=C1N(C[N@@H+]2CC=CCC2)C[C@]12CCCOC2 ZINC000902213973 584536220 /nfs/dbraw/zinc/53/62/20/584536220.db2.gz RKAPQZPBBMCNPE-ZDUSSCGKSA-N 1 2 236.315 0.845 20 0 BCADLO CCn1c[nH+]cc1CNc1cnc(CO)cn1 ZINC000902217394 584539374 /nfs/dbraw/zinc/53/93/74/584539374.db2.gz QQXFIFIZNGDPGB-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CC[C@@]1(C)C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902233007 584542345 /nfs/dbraw/zinc/54/23/45/584542345.db2.gz CWVIRXMISKNOOB-GVXVVHGQSA-N 1 2 238.331 0.923 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902233007 584542346 /nfs/dbraw/zinc/54/23/46/584542346.db2.gz CWVIRXMISKNOOB-GVXVVHGQSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)[C@H](C)O1 ZINC000902232455 584542714 /nfs/dbraw/zinc/54/27/14/584542714.db2.gz ACRMVDHKFRMTPP-GCHJQGSQSA-N 1 2 238.331 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)[C@H](C)O1 ZINC000902232455 584542716 /nfs/dbraw/zinc/54/27/16/584542716.db2.gz ACRMVDHKFRMTPP-GCHJQGSQSA-N 1 2 238.331 0.920 20 0 BCADLO CCCc1nnnn1Cc1ccc(N)[nH+]c1 ZINC000902253366 584544382 /nfs/dbraw/zinc/54/43/82/584544382.db2.gz SPSDUMARJZIWHR-UHFFFAOYSA-N 1 2 218.264 0.651 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)[C@H](C)CO1 ZINC000902301423 584553604 /nfs/dbraw/zinc/55/36/04/584553604.db2.gz CZBISJAKVHSLLP-NXEZZACHSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)[C@H](C)CO1 ZINC000902301423 584553605 /nfs/dbraw/zinc/55/36/05/584553605.db2.gz CZBISJAKVHSLLP-NXEZZACHSA-N 1 2 228.292 0.895 20 0 BCADLO C[C@@H](O)c1nnnn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902371467 584566582 /nfs/dbraw/zinc/56/65/82/584566582.db2.gz YRFLIOOANOZOJO-MRVPVSSYSA-N 1 2 248.290 0.236 20 0 BCADLO O=C1NCC[C@H]1CCOc1cc[nH+]cc1 ZINC000902356885 584570071 /nfs/dbraw/zinc/57/00/71/584570071.db2.gz OVDMUFUNVJNJIY-VIFPVBQESA-N 1 2 206.245 0.987 20 0 BCADLO NC(=[NH+]OCc1cnsn1)[C@H]1CCCO1 ZINC000902381153 584576697 /nfs/dbraw/zinc/57/66/97/584576697.db2.gz KTILPJQEIORCPR-SSDOTTSWSA-N 1 2 228.277 0.716 20 0 BCADLO Cn1c[nH+]cc1CCCn1c(=O)ccn1C ZINC000902421856 584592931 /nfs/dbraw/zinc/59/29/31/584592931.db2.gz ITDZHACLVVKTBK-UHFFFAOYSA-N 1 2 220.276 0.553 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000902536258 584628225 /nfs/dbraw/zinc/62/82/25/584628225.db2.gz GNFIRVOQUWXFOH-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO O=C1CCN1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000902536258 584628226 /nfs/dbraw/zinc/62/82/26/584628226.db2.gz GNFIRVOQUWXFOH-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO CCn1cnc(C[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000902537023 584628422 /nfs/dbraw/zinc/62/84/22/584628422.db2.gz MMKLNJHMWVWSBJ-SECBINFHSA-N 1 2 242.298 0.467 20 0 BCADLO CCn1cnc(C[NH2+]CC(=O)NCC(F)F)c1 ZINC000902540415 584628955 /nfs/dbraw/zinc/62/89/55/584628955.db2.gz MYNBHWXQUQUBSB-UHFFFAOYSA-N 1 2 246.261 0.374 20 0 BCADLO COC[C@H](CO[NH+]=C(N)CO)C(C)C ZINC000902534921 584633944 /nfs/dbraw/zinc/63/39/44/584633944.db2.gz GXAZRHZSRUDNDO-MRVPVSSYSA-N 1 2 204.270 0.396 20 0 BCADLO C[N@@H+](Cc1cccc(=O)[nH]1)CN1CCCC1=O ZINC000902568413 584633976 /nfs/dbraw/zinc/63/39/76/584633976.db2.gz CRJYWCYGHIILCW-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO C[N@H+](Cc1cccc(=O)[nH]1)CN1CCCC1=O ZINC000902568413 584633977 /nfs/dbraw/zinc/63/39/77/584633977.db2.gz CRJYWCYGHIILCW-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO O=C(OCCF)N1CC(n2cc[nH+]c2)C1 ZINC000859100036 589001460 /nfs/dbraw/zinc/00/14/60/589001460.db2.gz CILHADXKPLZATC-UHFFFAOYSA-N 1 2 213.212 0.846 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000902622998 584645107 /nfs/dbraw/zinc/64/51/07/584645107.db2.gz SOMWZSNPISXXKJ-VIFPVBQESA-N 1 2 242.275 0.233 20 0 BCADLO O=C1OCCN1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000902622998 584645111 /nfs/dbraw/zinc/64/51/11/584645111.db2.gz SOMWZSNPISXXKJ-VIFPVBQESA-N 1 2 242.275 0.233 20 0 BCADLO CCn1cnc(C[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000902626620 584645992 /nfs/dbraw/zinc/64/59/92/584645992.db2.gz IQAUALGSHZYHPW-SECBINFHSA-N 1 2 240.307 0.401 20 0 BCADLO OC[C@@H]1CC[N@@H+]1CN1CCSC1=S ZINC000902630855 584647093 /nfs/dbraw/zinc/64/70/93/584647093.db2.gz RBOPRVNMCMUQCN-ZETCQYMHSA-N 1 2 218.347 0.344 20 0 BCADLO OC[C@@H]1CC[N@H+]1CN1CCSC1=S ZINC000902630855 584647095 /nfs/dbraw/zinc/64/70/95/584647095.db2.gz RBOPRVNMCMUQCN-ZETCQYMHSA-N 1 2 218.347 0.344 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902633373 584647590 /nfs/dbraw/zinc/64/75/90/584647590.db2.gz ULFFCEAISYWRLR-BXKDBHETSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902633373 584647591 /nfs/dbraw/zinc/64/75/91/584647591.db2.gz ULFFCEAISYWRLR-BXKDBHETSA-N 1 2 240.303 0.186 20 0 BCADLO O=C1N(C[N@H+]2CC[C@H]2CO)C[C@H]2CCCCN12 ZINC000902634569 584648318 /nfs/dbraw/zinc/64/83/18/584648318.db2.gz MSRWABOUMLDUIE-MNOVXSKESA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@H]2CO)C[C@H]2CCCCN12 ZINC000902634569 584648321 /nfs/dbraw/zinc/64/83/21/584648321.db2.gz MSRWABOUMLDUIE-MNOVXSKESA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@H+]2CC[C@H]2CO)CCC12CCCC2 ZINC000902634340 584648606 /nfs/dbraw/zinc/64/86/06/584648606.db2.gz GLPWPYWXZLZTKW-NSHDSACASA-N 1 2 238.331 0.803 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@H]2CO)CCC12CCCC2 ZINC000902634340 584648607 /nfs/dbraw/zinc/64/86/07/584648607.db2.gz GLPWPYWXZLZTKW-NSHDSACASA-N 1 2 238.331 0.803 20 0 BCADLO O=C1N(C[N@H+]2CC[C@H]2CO)CCC12CCC2 ZINC000902634855 584648675 /nfs/dbraw/zinc/64/86/75/584648675.db2.gz UHCTUOAOCWQLKG-JTQLQIEISA-N 1 2 224.304 0.413 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@H]2CO)CCC12CCC2 ZINC000902634855 584648677 /nfs/dbraw/zinc/64/86/77/584648677.db2.gz UHCTUOAOCWQLKG-JTQLQIEISA-N 1 2 224.304 0.413 20 0 BCADLO O=C1N(C[N@H+]2CC[C@H]2CO)C[C@@H]2CCCCN12 ZINC000902634570 584648696 /nfs/dbraw/zinc/64/86/96/584648696.db2.gz MSRWABOUMLDUIE-QWRGUYRKSA-N 1 2 239.319 0.301 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@H]2CO)C[C@@H]2CCCCN12 ZINC000902634570 584648698 /nfs/dbraw/zinc/64/86/98/584648698.db2.gz MSRWABOUMLDUIE-QWRGUYRKSA-N 1 2 239.319 0.301 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cn1ccsc1=O ZINC000902639245 584649376 /nfs/dbraw/zinc/64/93/76/584649376.db2.gz SELSDNNGUYXSJO-BDAKNGLRSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1ccsc1=O ZINC000902639245 584649377 /nfs/dbraw/zinc/64/93/77/584649377.db2.gz SELSDNNGUYXSJO-BDAKNGLRSA-N 1 2 228.317 0.977 20 0 BCADLO CCc1noc(C(=O)NCc2[nH+]ccn2CC)n1 ZINC000902686389 584655990 /nfs/dbraw/zinc/65/59/90/584655990.db2.gz FZMRYQFXWIHXNA-UHFFFAOYSA-N 1 2 249.274 0.778 20 0 BCADLO NC(=[NH+]OCCO[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000902738164 584662712 /nfs/dbraw/zinc/66/27/12/584662712.db2.gz GXPHAWQKKYLWLM-ZJUUUORDSA-N 1 2 244.291 0.469 20 0 BCADLO C[C@@H]1C[C@H](CO[NH+]=C(N)CO)C[C@H](C)O1 ZINC000902764064 584663594 /nfs/dbraw/zinc/66/35/94/584663594.db2.gz SWJOEONVLSGQEN-BRPSZJMVSA-N 1 2 216.281 0.681 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@@H]1C[N@H+](C)CCO1 ZINC000859072322 588997202 /nfs/dbraw/zinc/99/72/02/588997202.db2.gz IWRIDFLYHAYVSC-BDAKNGLRSA-N 1 2 234.271 0.401 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC000859072322 588997203 /nfs/dbraw/zinc/99/72/03/588997203.db2.gz IWRIDFLYHAYVSC-BDAKNGLRSA-N 1 2 234.271 0.401 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(F)c1 ZINC000859073437 588997229 /nfs/dbraw/zinc/99/72/29/588997229.db2.gz HJIJAKJWLSWLCJ-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859073437 588997230 /nfs/dbraw/zinc/99/72/30/588997230.db2.gz HJIJAKJWLSWLCJ-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)OC1COC1 ZINC000902783842 584670976 /nfs/dbraw/zinc/67/09/76/584670976.db2.gz XYCKEFJKBOXBDD-UHFFFAOYSA-N 1 2 247.254 0.959 20 0 BCADLO O=C(CCO)N1CC[NH+](Cc2cccnc2)CC1 ZINC000902790302 584672914 /nfs/dbraw/zinc/67/29/14/584672914.db2.gz HODBTGRXMHCYEU-UHFFFAOYSA-N 1 2 249.314 0.108 20 0 BCADLO O=C(CCO)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000902793189 584673305 /nfs/dbraw/zinc/67/33/05/584673305.db2.gz LOVROAHPKVDTOH-UHFFFAOYSA-N 1 2 249.314 0.680 20 0 BCADLO O=C(CCO)NCCc1cn2c([nH+]1)CCCC2 ZINC000902794992 584674242 /nfs/dbraw/zinc/67/42/42/584674242.db2.gz VICFLSTVLNMQKG-UHFFFAOYSA-N 1 2 237.303 0.261 20 0 BCADLO CN(C)c1ccc(CNC(=O)CCO)c[nH+]1 ZINC000902798644 584674470 /nfs/dbraw/zinc/67/44/70/584674470.db2.gz YVRUACOKKZMTCE-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)CCO ZINC000902799281 584674763 /nfs/dbraw/zinc/67/47/63/584674763.db2.gz GTQLENLCEWXYBS-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO O=C(OCCF)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000859078874 588998246 /nfs/dbraw/zinc/99/82/46/588998246.db2.gz GMQWSMHFLURHMU-SNVBAGLBSA-N 1 2 246.282 0.499 20 0 BCADLO C[C@H](CNC(=O)OC1COC1)Cn1cc[nH+]c1 ZINC000902842858 584680814 /nfs/dbraw/zinc/68/08/14/584680814.db2.gz SZAWXELZIWPFHK-SECBINFHSA-N 1 2 239.275 0.644 20 0 BCADLO C[C@H]1CCS(=O)(=O)N1CCc1c[nH+]cn1C ZINC000902850373 584682210 /nfs/dbraw/zinc/68/22/10/584682210.db2.gz CHRISIITHUZMKK-VIFPVBQESA-N 1 2 243.332 0.387 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)CCO)cn21 ZINC000902857828 584685781 /nfs/dbraw/zinc/68/57/81/584685781.db2.gz UFUXPNQNPWPWPL-UHFFFAOYSA-N 1 2 233.271 0.641 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)OC1COC1 ZINC000902921423 584693156 /nfs/dbraw/zinc/69/31/56/584693156.db2.gz VTYZUKDSWQSEEJ-UHFFFAOYSA-N 1 2 225.248 0.088 20 0 BCADLO Cc1cc(C)c(CNC(=O)CCO)c[nH+]1 ZINC000902942722 584695495 /nfs/dbraw/zinc/69/54/95/584695495.db2.gz KHPXCKLUAJLFEC-UHFFFAOYSA-N 1 2 208.261 0.697 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)OCCF)CCO1 ZINC000859120796 589004615 /nfs/dbraw/zinc/00/46/15/589004615.db2.gz IHMIMYGKWFMGGP-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)OCCF)CCO1 ZINC000859120796 589004619 /nfs/dbraw/zinc/00/46/19/589004619.db2.gz IHMIMYGKWFMGGP-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO Cc1nnc(C(=O)NC[C@@H]2CC[N@H+]2C)s1 ZINC000902935384 584699633 /nfs/dbraw/zinc/69/96/33/584699633.db2.gz WCUYERDEGUSUGN-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000902935384 584699634 /nfs/dbraw/zinc/69/96/34/584699634.db2.gz WCUYERDEGUSUGN-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO CCCOC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000859121047 589005236 /nfs/dbraw/zinc/00/52/36/589005236.db2.gz QMHPXWQJOMGZLA-JTQLQIEISA-N 1 2 230.308 0.843 20 0 BCADLO CCCOC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000859121047 589005238 /nfs/dbraw/zinc/00/52/38/589005238.db2.gz QMHPXWQJOMGZLA-JTQLQIEISA-N 1 2 230.308 0.843 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)OC1COC1 ZINC000902939175 584701417 /nfs/dbraw/zinc/70/14/17/584701417.db2.gz OWUYBUNZFSBPMD-ZETCQYMHSA-N 1 2 237.259 0.392 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)OC1COC1 ZINC000902939175 584701418 /nfs/dbraw/zinc/70/14/18/584701418.db2.gz OWUYBUNZFSBPMD-ZETCQYMHSA-N 1 2 237.259 0.392 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)OCCF)CCO1 ZINC000859121190 589005530 /nfs/dbraw/zinc/00/55/30/589005530.db2.gz VRNBJWSOBQWPNZ-VIFPVBQESA-N 1 2 234.271 0.403 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)OCCF)CCO1 ZINC000859121190 589005533 /nfs/dbraw/zinc/00/55/33/589005533.db2.gz VRNBJWSOBQWPNZ-VIFPVBQESA-N 1 2 234.271 0.403 20 0 BCADLO CC(C)(CNC(=O)OC1COC1)n1cc[nH+]c1 ZINC000902962395 584706841 /nfs/dbraw/zinc/70/68/41/584706841.db2.gz UYXHQKCFBPMQLS-UHFFFAOYSA-N 1 2 239.275 0.743 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902997595 584714044 /nfs/dbraw/zinc/71/40/44/584714044.db2.gz WJQYQEDGERVVRB-RKDXNWHRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000902997595 584714045 /nfs/dbraw/zinc/71/40/45/584714045.db2.gz WJQYQEDGERVVRB-RKDXNWHRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000902997592 584714342 /nfs/dbraw/zinc/71/43/42/584714342.db2.gz WJQYQEDGERVVRB-BDAKNGLRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000902997592 584714343 /nfs/dbraw/zinc/71/43/43/584714343.db2.gz WJQYQEDGERVVRB-BDAKNGLRSA-N 1 2 246.282 0.098 20 0 BCADLO O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902996485 584714596 /nfs/dbraw/zinc/71/45/96/584714596.db2.gz SFTPVXATFZLYSF-VHSXEESVSA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902996485 584714597 /nfs/dbraw/zinc/71/45/97/584714597.db2.gz SFTPVXATFZLYSF-VHSXEESVSA-N 1 2 235.324 0.855 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002943 584716184 /nfs/dbraw/zinc/71/61/84/584716184.db2.gz ILDHGQQBPUSWBR-SECBINFHSA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002943 584716185 /nfs/dbraw/zinc/71/61/85/584716185.db2.gz ILDHGQQBPUSWBR-SECBINFHSA-N 1 2 202.273 0.945 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903003560 584716945 /nfs/dbraw/zinc/71/69/45/584716945.db2.gz ONRBCVBMKXRJLV-HTQZYQBOSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903003560 584716946 /nfs/dbraw/zinc/71/69/46/584716946.db2.gz ONRBCVBMKXRJLV-HTQZYQBOSA-N 1 2 231.271 0.264 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903022693 584720778 /nfs/dbraw/zinc/72/07/78/584720778.db2.gz KSSAMBCQIFVHQI-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903022693 584720779 /nfs/dbraw/zinc/72/07/79/584720779.db2.gz KSSAMBCQIFVHQI-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO CNC(=O)C(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000903044788 584723292 /nfs/dbraw/zinc/72/32/92/584723292.db2.gz IBTZXTSGPIXSFJ-UHFFFAOYSA-N 1 2 246.270 0.005 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cnn(C)n1 ZINC000903297167 584743298 /nfs/dbraw/zinc/74/32/98/584743298.db2.gz RCUDLADXMPMZSO-JMJZKYOTSA-N 1 2 240.307 0.270 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@@]1(C(=O)[O-])CCSC1 ZINC000904007383 584837277 /nfs/dbraw/zinc/83/72/77/584837277.db2.gz GRJDXICBFVUCHN-JTQLQIEISA-N 1 2 241.316 0.470 20 0 BCADLO O=C(OCCF)N1CCn2c[nH+]cc2C1 ZINC000859163938 589012320 /nfs/dbraw/zinc/01/23/20/589012320.db2.gz DJFFVHGQUYKFEX-UHFFFAOYSA-N 1 2 213.212 0.805 20 0 BCADLO CCCCN(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000904201132 584851826 /nfs/dbraw/zinc/85/18/26/584851826.db2.gz JTPJRRRXMJKWLF-SNVBAGLBSA-N 1 2 245.323 0.518 20 0 BCADLO CCCCN(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000904201132 584851827 /nfs/dbraw/zinc/85/18/27/584851827.db2.gz JTPJRRRXMJKWLF-SNVBAGLBSA-N 1 2 245.323 0.518 20 0 BCADLO Nc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000904322338 584864548 /nfs/dbraw/zinc/86/45/48/584864548.db2.gz AOGOSZZKZHDCBE-LLVKDONJSA-N 1 2 234.303 0.670 20 0 BCADLO Nc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000904322338 584864549 /nfs/dbraw/zinc/86/45/49/584864549.db2.gz AOGOSZZKZHDCBE-LLVKDONJSA-N 1 2 234.303 0.670 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)[C@H](C(N)=O)C1 ZINC000904340164 584866681 /nfs/dbraw/zinc/86/66/81/584866681.db2.gz FIXVNKSMHSXXFX-SCZZXKLOSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)[C@H](C(N)=O)C1 ZINC000904340164 584866682 /nfs/dbraw/zinc/86/66/82/584866682.db2.gz FIXVNKSMHSXXFX-SCZZXKLOSA-N 1 2 249.318 0.145 20 0 BCADLO CC(C)(C)n1cc(C[NH2+][C@@H]2CNOC2)nn1 ZINC000904424736 584881212 /nfs/dbraw/zinc/88/12/12/584881212.db2.gz XNLVCUNEHMYKEE-SECBINFHSA-N 1 2 225.296 0.026 20 0 BCADLO c1c(C[NH2+][C@@H]2CNOC2)nnn1-c1ccccc1 ZINC000904421873 584882532 /nfs/dbraw/zinc/88/25/32/584882532.db2.gz WHAHMBQOOQOFPS-LLVKDONJSA-N 1 2 245.286 0.260 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)OCCF ZINC000859179483 589014775 /nfs/dbraw/zinc/01/47/75/589014775.db2.gz STPZMFYRNPTPEL-AOOOYVTPSA-N 1 2 246.282 0.545 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OCCF ZINC000859179483 589014777 /nfs/dbraw/zinc/01/47/77/589014777.db2.gz STPZMFYRNPTPEL-AOOOYVTPSA-N 1 2 246.282 0.545 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccnn2C)c[nH+]1 ZINC000828953910 584905065 /nfs/dbraw/zinc/90/50/65/584905065.db2.gz OSNNUXQRHRQZGF-ZETCQYMHSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cscn1 ZINC000829106286 584905461 /nfs/dbraw/zinc/90/54/61/584905461.db2.gz HQQLNSDCIWVWAR-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cscn1 ZINC000829106286 584905462 /nfs/dbraw/zinc/90/54/62/584905462.db2.gz HQQLNSDCIWVWAR-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000832186691 584911164 /nfs/dbraw/zinc/91/11/64/584911164.db2.gz OMFREPYGACFGOP-ZCFIWIBFSA-N 1 2 245.229 0.828 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000832186691 584911165 /nfs/dbraw/zinc/91/11/65/584911165.db2.gz OMFREPYGACFGOP-ZCFIWIBFSA-N 1 2 245.229 0.828 20 0 BCADLO COCC[N@@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 ZINC000730788490 584915779 /nfs/dbraw/zinc/91/57/79/584915779.db2.gz URCCFIWDYJNRTH-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO COCC[N@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 ZINC000730788490 584915780 /nfs/dbraw/zinc/91/57/80/584915780.db2.gz URCCFIWDYJNRTH-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCn1ccccc1=O ZINC000731213309 584923724 /nfs/dbraw/zinc/92/37/24/584923724.db2.gz PMCOLCPMZBVTCQ-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCn1ccccc1=O ZINC000731213309 584923725 /nfs/dbraw/zinc/92/37/25/584923725.db2.gz PMCOLCPMZBVTCQ-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000731870672 584929992 /nfs/dbraw/zinc/92/99/92/584929992.db2.gz TZAIBWUAOQWRCW-LURJTMIESA-N 1 2 225.248 0.400 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000731868431 584930512 /nfs/dbraw/zinc/93/05/12/584930512.db2.gz YXNKUBBHCVJXNF-QMMMGPOBSA-N 1 2 227.333 0.690 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000731868431 584930513 /nfs/dbraw/zinc/93/05/13/584930513.db2.gz YXNKUBBHCVJXNF-QMMMGPOBSA-N 1 2 227.333 0.690 20 0 BCADLO O=C(OCCO)c1ccc2[nH+]ccn2c1 ZINC000731907452 584931121 /nfs/dbraw/zinc/93/11/21/584931121.db2.gz GMWMWTLIIAMMAD-UHFFFAOYSA-N 1 2 206.201 0.483 20 0 BCADLO CN(C)C(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731909918 584931166 /nfs/dbraw/zinc/93/11/66/584931166.db2.gz WVXULXLEESCSOR-UHFFFAOYSA-N 1 2 247.254 0.579 20 0 BCADLO Cc1cc(N2CCCNC(=O)C2)nc[nH+]1 ZINC000732031207 584933017 /nfs/dbraw/zinc/93/30/17/584933017.db2.gz JAVBYMVCPQEWSW-UHFFFAOYSA-N 1 2 206.249 0.111 20 0 BCADLO CO[C@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732092781 584933854 /nfs/dbraw/zinc/93/38/54/584933854.db2.gz CKXOUFFJZZXWJZ-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CC(C)(C[NH+]1CCOCC1)NC(=O)OCCF ZINC000859188791 589016349 /nfs/dbraw/zinc/01/63/49/589016349.db2.gz CWLFXDSBDWHKKG-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO CC[C@@H](O)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000837811827 584938711 /nfs/dbraw/zinc/93/87/11/584938711.db2.gz WEXOSOUPMJXXNE-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@@H](O)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000837811827 584938712 /nfs/dbraw/zinc/93/87/12/584938712.db2.gz WEXOSOUPMJXXNE-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)OCC[NH+]1CCOCC1 ZINC000732716850 584940220 /nfs/dbraw/zinc/94/02/20/584940220.db2.gz SDEBJGHHJHDDJG-SNVBAGLBSA-N 1 2 245.319 0.269 20 0 BCADLO CCCOC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000859188213 589016442 /nfs/dbraw/zinc/01/64/42/589016442.db2.gz HELCDBSXMWRACX-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CCCOC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000859188213 589016443 /nfs/dbraw/zinc/01/64/43/589016443.db2.gz HELCDBSXMWRACX-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO COC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000733966243 584955872 /nfs/dbraw/zinc/95/58/72/584955872.db2.gz RWQOPYVKGIZFHL-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO Cc1nonc1CN1CCc2c([nH+]cn2C)C1 ZINC000734148819 584957493 /nfs/dbraw/zinc/95/74/93/584957493.db2.gz MRUBZOIJXPWHFC-UHFFFAOYSA-N 1 2 233.275 0.670 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H](CO)C1CC1 ZINC000771012456 584992584 /nfs/dbraw/zinc/99/25/84/584992584.db2.gz NKORIZQZTQLHIR-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO CNC(=S)NCCc1cn2ccccc2[nH+]1 ZINC000818264097 584995988 /nfs/dbraw/zinc/99/59/88/584995988.db2.gz PCGUSGNOJMQPBV-UHFFFAOYSA-N 1 2 234.328 0.971 20 0 BCADLO COc1cccnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099596 585022845 /nfs/dbraw/zinc/02/28/45/585022845.db2.gz CAPOOZQTLKBAII-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO CCc1nocc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104935 585023519 /nfs/dbraw/zinc/02/35/19/585023519.db2.gz UIWZMVBDSUDSJZ-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000890107516 585023660 /nfs/dbraw/zinc/02/36/60/585023660.db2.gz OSBKXEIWNUVRKA-YUMQZZPRSA-N 1 2 229.230 0.938 20 0 BCADLO COc1cc(C(=O)NCc2cn(C)c[nH+]2)nn1C ZINC000890107660 585023714 /nfs/dbraw/zinc/02/37/14/585023714.db2.gz OWNQJUXVEVOOLE-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890113609 585024019 /nfs/dbraw/zinc/02/40/19/585024019.db2.gz JYRPJMWITHBCGP-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO CC(C)ONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838115408 585046227 /nfs/dbraw/zinc/04/62/27/585046227.db2.gz OURQZYSDSRHAIA-SNVBAGLBSA-N 1 2 245.323 0.346 20 0 BCADLO CC(C)ONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838115408 585046228 /nfs/dbraw/zinc/04/62/28/585046228.db2.gz OURQZYSDSRHAIA-SNVBAGLBSA-N 1 2 245.323 0.346 20 0 BCADLO COC/C=C\C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000866981734 585047077 /nfs/dbraw/zinc/04/70/77/585047077.db2.gz LYHDTLUXTBDBGB-BYCRGOAPSA-N 1 2 249.314 0.939 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H](O)C1CCC1 ZINC000838306145 585052222 /nfs/dbraw/zinc/05/22/22/585052222.db2.gz KZIPSKWLOTVDEF-LLVKDONJSA-N 1 2 243.303 0.023 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)C1CC1)C1CC1 ZINC000838814511 585071613 /nfs/dbraw/zinc/07/16/13/585071613.db2.gz AFWKDCCKADDSCZ-NSHDSACASA-N 1 2 227.304 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)C1CC1)C1CC1 ZINC000838814511 585071614 /nfs/dbraw/zinc/07/16/14/585071614.db2.gz AFWKDCCKADDSCZ-NSHDSACASA-N 1 2 227.304 0.785 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)C1CC1 ZINC000838817578 585071662 /nfs/dbraw/zinc/07/16/62/585071662.db2.gz QEEUPPFUFRYXQP-SECBINFHSA-N 1 2 215.293 0.689 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000838910091 585078039 /nfs/dbraw/zinc/07/80/39/585078039.db2.gz ZQBUUBFOMCHIOW-PWSUYJOCSA-N 1 2 227.304 0.689 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)C1CC1 ZINC000838898854 585079580 /nfs/dbraw/zinc/07/95/80/585079580.db2.gz XZSAVAYFSWENEV-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000838898854 585079581 /nfs/dbraw/zinc/07/95/81/585079581.db2.gz XZSAVAYFSWENEV-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO COC[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000739869398 585082880 /nfs/dbraw/zinc/08/28/80/585082880.db2.gz HWPUDGBJMRJUHJ-VIFPVBQESA-N 1 2 242.348 0.877 20 0 BCADLO COC[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000739869398 585082881 /nfs/dbraw/zinc/08/28/81/585082881.db2.gz HWPUDGBJMRJUHJ-VIFPVBQESA-N 1 2 242.348 0.877 20 0 BCADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000839027699 585087953 /nfs/dbraw/zinc/08/79/53/585087953.db2.gz OWIPWAYYZSSPSB-VXNVDRBHSA-N 1 2 223.263 0.705 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000839027699 585087954 /nfs/dbraw/zinc/08/79/54/585087954.db2.gz OWIPWAYYZSSPSB-VXNVDRBHSA-N 1 2 223.263 0.705 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000839097335 585090697 /nfs/dbraw/zinc/09/06/97/585090697.db2.gz YQZDVMVLFAQBAV-NSHDSACASA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000839097335 585090698 /nfs/dbraw/zinc/09/06/98/585090698.db2.gz YQZDVMVLFAQBAV-NSHDSACASA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000839097333 585090710 /nfs/dbraw/zinc/09/07/10/585090710.db2.gz YQZDVMVLFAQBAV-LLVKDONJSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000839097333 585090711 /nfs/dbraw/zinc/09/07/11/585090711.db2.gz YQZDVMVLFAQBAV-LLVKDONJSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000839100924 585090852 /nfs/dbraw/zinc/09/08/52/585090852.db2.gz UEOJTGDSXSSWOC-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000839100924 585090853 /nfs/dbraw/zinc/09/08/53/585090853.db2.gz UEOJTGDSXSSWOC-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+](CC)[C@H](C)CO)n1 ZINC000839109841 585091633 /nfs/dbraw/zinc/09/16/33/585091633.db2.gz NVGCFKWMSSKUHT-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](CC)[C@H](C)CO)n1 ZINC000839109841 585091634 /nfs/dbraw/zinc/09/16/34/585091634.db2.gz NVGCFKWMSSKUHT-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1cnn(CC)n1 ZINC000839120151 585092957 /nfs/dbraw/zinc/09/29/57/585092957.db2.gz IEBCMZXOATXCKX-SNVBAGLBSA-N 1 2 212.297 0.501 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1cnn(CC)n1 ZINC000839120151 585092958 /nfs/dbraw/zinc/09/29/58/585092958.db2.gz IEBCMZXOATXCKX-SNVBAGLBSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[NH+]2CC(C(C)(C)O)C2)n1 ZINC000839140272 585094541 /nfs/dbraw/zinc/09/45/41/585094541.db2.gz OSBAOFGOGVXPFX-UHFFFAOYSA-N 1 2 224.308 0.501 20 0 BCADLO CONC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000839189628 585096977 /nfs/dbraw/zinc/09/69/77/585096977.db2.gz AXCCNOXTVMJBAI-DTWKUNHWSA-N 1 2 228.292 0.211 20 0 BCADLO CC(C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741141932 585110305 /nfs/dbraw/zinc/11/03/05/585110305.db2.gz NCMBEHLTHRXFJF-MRXNPFEDSA-N 1 2 246.376 0.165 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000741254126 585111578 /nfs/dbraw/zinc/11/15/78/585111578.db2.gz MBFJKJOQMUHFJA-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000741254126 585111579 /nfs/dbraw/zinc/11/15/79/585111579.db2.gz MBFJKJOQMUHFJA-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000741250135 585111685 /nfs/dbraw/zinc/11/16/85/585111685.db2.gz RTHZZAZKCSPHBP-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000741250135 585111686 /nfs/dbraw/zinc/11/16/86/585111686.db2.gz RTHZZAZKCSPHBP-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000741247024 585111878 /nfs/dbraw/zinc/11/18/78/585111878.db2.gz MITDGZQPZKKFAR-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000741247024 585111879 /nfs/dbraw/zinc/11/18/79/585111879.db2.gz MITDGZQPZKKFAR-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CCn1nc(C)c(C[NH2+][C@]23C[C@H]2COC3)n1 ZINC000886200172 585112423 /nfs/dbraw/zinc/11/24/23/585112423.db2.gz ADPDCYBOEHKMHX-ONGXEEELSA-N 1 2 222.292 0.485 20 0 BCADLO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccn[nH]1 ZINC000886229133 585115870 /nfs/dbraw/zinc/11/58/70/585115870.db2.gz LOKVMZIFUCYPAN-WDEREUQCSA-N 1 2 225.292 0.429 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000741794048 585119492 /nfs/dbraw/zinc/11/94/92/585119492.db2.gz FFHBBGVLFUZLCO-CYBMUJFWSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000741794048 585119493 /nfs/dbraw/zinc/11/94/93/585119493.db2.gz FFHBBGVLFUZLCO-CYBMUJFWSA-N 1 2 248.326 0.802 20 0 BCADLO O=C(c1cc[n+]([O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000742830121 585131768 /nfs/dbraw/zinc/13/17/68/585131768.db2.gz JVYITPQCZXOJMW-UHFFFAOYSA-N 1 2 247.298 0.240 20 0 BCADLO CC[N@@H+]1CCN(CCS(=O)(=O)CC)C[C@@H]1C ZINC000743273103 585134602 /nfs/dbraw/zinc/13/46/02/585134602.db2.gz RMQAENQKMKMFNB-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[N@H+]1CCN(CCS(=O)(=O)CC)C[C@@H]1C ZINC000743273103 585134603 /nfs/dbraw/zinc/13/46/03/585134603.db2.gz RMQAENQKMKMFNB-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CC[N@H+](CCS(=O)(=O)CC)C[C@@H]1C ZINC000743273103 585134604 /nfs/dbraw/zinc/13/46/04/585134604.db2.gz RMQAENQKMKMFNB-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CC[N@@H+](CCS(=O)(=O)CC)C[C@@H]1C ZINC000743273103 585134605 /nfs/dbraw/zinc/13/46/05/585134605.db2.gz RMQAENQKMKMFNB-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCn2nncc2C1 ZINC000886462947 585136920 /nfs/dbraw/zinc/13/69/20/585136920.db2.gz KDNPPHNJTRPEQM-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Cc1oncc1C[N@H+]1CCCn2nncc2C1 ZINC000886462947 585136921 /nfs/dbraw/zinc/13/69/21/585136921.db2.gz KDNPPHNJTRPEQM-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO CC(C)c1[nH+]ccn1CCNC(=O)c1cn[nH]n1 ZINC000744395604 585149980 /nfs/dbraw/zinc/14/99/80/585149980.db2.gz PGGVXABHKXZMKH-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO CC(C)c1[nH+]ccn1CCNC(=O)c1cnn[nH]1 ZINC000744395604 585149981 /nfs/dbraw/zinc/14/99/81/585149981.db2.gz PGGVXABHKXZMKH-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081305 585155979 /nfs/dbraw/zinc/15/59/79/585155979.db2.gz GMKJYTSRGUMTAH-BDAKNGLRSA-N 1 2 229.276 0.575 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081305 585155980 /nfs/dbraw/zinc/15/59/80/585155980.db2.gz GMKJYTSRGUMTAH-BDAKNGLRSA-N 1 2 229.276 0.575 20 0 BCADLO CCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745083578 585156692 /nfs/dbraw/zinc/15/66/92/585156692.db2.gz XTYSLWQOFGRYKI-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO CCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745083578 585156693 /nfs/dbraw/zinc/15/66/93/585156693.db2.gz XTYSLWQOFGRYKI-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC000745084604 585156759 /nfs/dbraw/zinc/15/67/59/585156759.db2.gz WNIYWOORWJXNGT-UWVGGRQHSA-N 1 2 242.319 0.668 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC000745084604 585156760 /nfs/dbraw/zinc/15/67/60/585156760.db2.gz WNIYWOORWJXNGT-UWVGGRQHSA-N 1 2 242.319 0.668 20 0 BCADLO CCOC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745088074 585156792 /nfs/dbraw/zinc/15/67/92/585156792.db2.gz ZZZUVJIPLXTRNN-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745088074 585156793 /nfs/dbraw/zinc/15/67/93/585156793.db2.gz ZZZUVJIPLXTRNN-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO Cn1ccsc1=NC(=O)Cn1cc[nH+]c1 ZINC000746017466 585162734 /nfs/dbraw/zinc/16/27/34/585162734.db2.gz PLXQCEXGMUMYLL-UHFFFAOYSA-N 1 2 222.273 0.411 20 0 BCADLO C[C@@H](CNC(=O)c1nnc[nH]1)Cn1cc[nH+]c1 ZINC000746196587 585165106 /nfs/dbraw/zinc/16/51/06/585165106.db2.gz MENRFYXCKMJPCW-QMMMGPOBSA-N 1 2 234.263 0.067 20 0 BCADLO C[C@@H](CNC(=O)c1ncn[nH]1)Cn1cc[nH+]c1 ZINC000746196587 585165107 /nfs/dbraw/zinc/16/51/07/585165107.db2.gz MENRFYXCKMJPCW-QMMMGPOBSA-N 1 2 234.263 0.067 20 0 BCADLO C[C@@H](CNC(=O)c1nc[nH]n1)Cn1cc[nH+]c1 ZINC000746196587 585165108 /nfs/dbraw/zinc/16/51/08/585165108.db2.gz MENRFYXCKMJPCW-QMMMGPOBSA-N 1 2 234.263 0.067 20 0 BCADLO CO[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000746244257 585166241 /nfs/dbraw/zinc/16/62/41/585166241.db2.gz BPTOGXIQYIUYDB-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CO[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000746244258 585166405 /nfs/dbraw/zinc/16/64/05/585166405.db2.gz BPTOGXIQYIUYDB-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(C)cn1 ZINC000746451412 585168015 /nfs/dbraw/zinc/16/80/15/585168015.db2.gz YSIWFAGXCDMYLA-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(C)cn1 ZINC000746451412 585168016 /nfs/dbraw/zinc/16/80/16/585168016.db2.gz YSIWFAGXCDMYLA-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000746499912 585168742 /nfs/dbraw/zinc/16/87/42/585168742.db2.gz OKRNRFIOUZBVNN-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000746499912 585168743 /nfs/dbraw/zinc/16/87/43/585168743.db2.gz OKRNRFIOUZBVNN-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO COCCC[N@H+](C)Cn1ccsc1=O ZINC000746612116 585170696 /nfs/dbraw/zinc/17/06/96/585170696.db2.gz QGJWQRPQVJSZDO-UHFFFAOYSA-N 1 2 216.306 0.836 20 0 BCADLO COCCC[N@@H+](C)Cn1ccsc1=O ZINC000746612116 585170697 /nfs/dbraw/zinc/17/06/97/585170697.db2.gz QGJWQRPQVJSZDO-UHFFFAOYSA-N 1 2 216.306 0.836 20 0 BCADLO CO[C@@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746612862 585170729 /nfs/dbraw/zinc/17/07/29/585170729.db2.gz COXXQSTZFFXETQ-MRVPVSSYSA-N 1 2 214.290 0.588 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746612862 585170730 /nfs/dbraw/zinc/17/07/30/585170730.db2.gz COXXQSTZFFXETQ-MRVPVSSYSA-N 1 2 214.290 0.588 20 0 BCADLO CC[N@H+](CCOC)Cn1ccsc1=O ZINC000746613029 585170871 /nfs/dbraw/zinc/17/08/71/585170871.db2.gz UXCXWMHPTOVPQM-UHFFFAOYSA-N 1 2 216.306 0.836 20 0 BCADLO CC[N@@H+](CCOC)Cn1ccsc1=O ZINC000746613029 585170872 /nfs/dbraw/zinc/17/08/72/585170872.db2.gz UXCXWMHPTOVPQM-UHFFFAOYSA-N 1 2 216.306 0.836 20 0 BCADLO C[C@H]1C[N@H+](Cn2ccsc2=O)CCCO1 ZINC000746614014 585170991 /nfs/dbraw/zinc/17/09/91/585170991.db2.gz KQKBDDJQKHXQKC-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO C[C@H]1C[N@@H+](Cn2ccsc2=O)CCCO1 ZINC000746614014 585170992 /nfs/dbraw/zinc/17/09/92/585170992.db2.gz KQKBDDJQKHXQKC-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746602840 585171023 /nfs/dbraw/zinc/17/10/23/585171023.db2.gz GWVGFUZUWBVRQI-QMMMGPOBSA-N 1 2 242.300 0.362 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746602840 585171024 /nfs/dbraw/zinc/17/10/24/585171024.db2.gz GWVGFUZUWBVRQI-QMMMGPOBSA-N 1 2 242.300 0.362 20 0 BCADLO CCCN(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747451002 585179271 /nfs/dbraw/zinc/17/92/71/585179271.db2.gz XOMBCEVDXFDPPG-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000747697243 585182327 /nfs/dbraw/zinc/18/23/27/585182327.db2.gz DAOYCSGBSNDYNY-NSHDSACASA-N 1 2 243.303 0.288 20 0 BCADLO CC[C@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000747693827 585182511 /nfs/dbraw/zinc/18/25/11/585182511.db2.gz KQVGPVPIVQXUDL-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ncccn1 ZINC000748323320 585190809 /nfs/dbraw/zinc/19/08/09/585190809.db2.gz XUXWCOPUSPSFEJ-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ncccn1 ZINC000748323320 585190810 /nfs/dbraw/zinc/19/08/10/585190810.db2.gz XUXWCOPUSPSFEJ-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1=COCCC1 ZINC000748321776 585190855 /nfs/dbraw/zinc/19/08/55/585190855.db2.gz STJFXLNBLNBRJP-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1=COCCC1 ZINC000748321776 585190856 /nfs/dbraw/zinc/19/08/56/585190856.db2.gz STJFXLNBLNBRJP-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO CCc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000748349031 585191221 /nfs/dbraw/zinc/19/12/21/585191221.db2.gz ABLSBYTUXFMHQE-VIFPVBQESA-N 1 2 236.319 0.748 20 0 BCADLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000748349031 585191222 /nfs/dbraw/zinc/19/12/22/585191222.db2.gz ABLSBYTUXFMHQE-VIFPVBQESA-N 1 2 236.319 0.748 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(F)F)C1 ZINC000748456355 585192909 /nfs/dbraw/zinc/19/29/09/585192909.db2.gz AEENZFLBFFFNFS-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC(F)F)C1 ZINC000748456355 585192910 /nfs/dbraw/zinc/19/29/10/585192910.db2.gz AEENZFLBFFFNFS-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO COCC(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750309610 585213080 /nfs/dbraw/zinc/21/30/80/585213080.db2.gz ULTSZOTXCAAUID-UHFFFAOYSA-N 1 2 247.254 0.957 20 0 BCADLO CO[C@H](C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750747268 585219135 /nfs/dbraw/zinc/21/91/35/585219135.db2.gz QPICRKVRKVCQHO-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750747268 585219136 /nfs/dbraw/zinc/21/91/36/585219136.db2.gz QPICRKVRKVCQHO-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CSCCS1 ZINC000751068517 585224004 /nfs/dbraw/zinc/22/40/04/585224004.db2.gz WREUWPNVZLCEIP-QMMMGPOBSA-N 1 2 243.357 0.875 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CSCCS1 ZINC000751068517 585224005 /nfs/dbraw/zinc/22/40/05/585224005.db2.gz WREUWPNVZLCEIP-QMMMGPOBSA-N 1 2 243.357 0.875 20 0 BCADLO CS/C=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000751460825 585230427 /nfs/dbraw/zinc/23/04/27/585230427.db2.gz BPKAOJPIDOKAKR-WPKZPIIRSA-N 1 2 244.360 0.700 20 0 BCADLO COC/C=C/C(=O)NCc1c[nH+]cn1C ZINC000752951542 585251914 /nfs/dbraw/zinc/25/19/14/585251914.db2.gz IXINFLZMVVYHFX-ONEGZZNKSA-N 1 2 209.249 0.239 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753807614 585269996 /nfs/dbraw/zinc/26/99/96/585269996.db2.gz IKHDDRHSMRMFHL-MXWKQRLJSA-N 1 2 245.319 0.674 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753807614 585269997 /nfs/dbraw/zinc/26/99/97/585269997.db2.gz IKHDDRHSMRMFHL-MXWKQRLJSA-N 1 2 245.319 0.674 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000753833513 585270449 /nfs/dbraw/zinc/27/04/49/585270449.db2.gz DJDPPJNBNWNCTQ-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000753833513 585270450 /nfs/dbraw/zinc/27/04/50/585270450.db2.gz DJDPPJNBNWNCTQ-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000754115863 585278783 /nfs/dbraw/zinc/27/87/83/585278783.db2.gz VQZVZNVBGBODDK-DLRBJTRDSA-N 1 2 238.740 0.492 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000754115863 585278784 /nfs/dbraw/zinc/27/87/84/585278784.db2.gz VQZVZNVBGBODDK-DLRBJTRDSA-N 1 2 238.740 0.492 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCC1(C)COC1 ZINC000754296851 585282216 /nfs/dbraw/zinc/28/22/16/585282216.db2.gz WTXISMDCXHIFFR-SSDOTTSWSA-N 1 2 202.254 0.556 20 0 BCADLO COC(=O)NC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000754303293 585282319 /nfs/dbraw/zinc/28/23/19/585282319.db2.gz SWSOSQGHKRQXCM-UHFFFAOYSA-N 1 2 240.263 0.161 20 0 BCADLO COC(=O)NC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000754303293 585282320 /nfs/dbraw/zinc/28/23/20/585282320.db2.gz SWSOSQGHKRQXCM-UHFFFAOYSA-N 1 2 240.263 0.161 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C=O)[nH]1 ZINC000754353655 585282685 /nfs/dbraw/zinc/28/26/85/585282685.db2.gz JWMUKVDACMGTIS-UHFFFAOYSA-N 1 2 232.243 0.789 20 0 BCADLO COC[C@H]([NH2+]CC(=O)N(C)OC)c1ccco1 ZINC000754339571 585282742 /nfs/dbraw/zinc/28/27/42/585282742.db2.gz LHMLGWHTESXUFN-VIFPVBQESA-N 1 2 242.275 0.577 20 0 BCADLO CC[C@H]([NH2+][C@H](CC(=O)OC)C1CC1)C(=O)OC ZINC000754542182 585285689 /nfs/dbraw/zinc/28/56/89/585285689.db2.gz VKOFSXQPMIQPBV-VHSXEESVSA-N 1 2 243.303 0.869 20 0 BCADLO COc1ccc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000754640914 585288429 /nfs/dbraw/zinc/28/84/29/585288429.db2.gz OQRJSUNVKJOHGK-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000754640914 585288430 /nfs/dbraw/zinc/28/84/30/585288430.db2.gz OQRJSUNVKJOHGK-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cocn1 ZINC000754682143 585289212 /nfs/dbraw/zinc/28/92/12/585289212.db2.gz FTAUTIOPRPQCLW-UHFFFAOYSA-N 1 2 207.189 0.765 20 0 BCADLO CCC1(C(=O)NCc2c[nH+]c[nH]2)COC1 ZINC000755390407 585298863 /nfs/dbraw/zinc/29/88/63/585298863.db2.gz XSUBHZHNQWEXDM-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO CCC1(C(=O)NCc2c[nH]c[nH+]2)COC1 ZINC000755390407 585298864 /nfs/dbraw/zinc/29/88/64/585298864.db2.gz XSUBHZHNQWEXDM-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO COCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755890840 585309250 /nfs/dbraw/zinc/30/92/50/585309250.db2.gz WQEBPUOTSOKGEG-UHFFFAOYSA-N 1 2 224.260 0.837 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000755924397 585310676 /nfs/dbraw/zinc/31/06/76/585310676.db2.gz XKLJAPCWTAKHFZ-SNVBAGLBSA-N 1 2 239.319 0.024 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000755924397 585310677 /nfs/dbraw/zinc/31/06/77/585310677.db2.gz XKLJAPCWTAKHFZ-SNVBAGLBSA-N 1 2 239.319 0.024 20 0 BCADLO CCOc1ccc(C[N@@H+]2CCCNC(=O)C2)nc1 ZINC000755935756 585310944 /nfs/dbraw/zinc/31/09/44/585310944.db2.gz UJHWJCFOYBVQJT-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CCOc1ccc(C[N@H+]2CCCNC(=O)C2)nc1 ZINC000755935756 585310945 /nfs/dbraw/zinc/31/09/45/585310945.db2.gz UJHWJCFOYBVQJT-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000756095843 585314432 /nfs/dbraw/zinc/31/44/32/585314432.db2.gz VSLVOEFTPMKJJS-BREXMAIKSA-N 1 2 241.287 0.743 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000756095843 585314433 /nfs/dbraw/zinc/31/44/33/585314433.db2.gz VSLVOEFTPMKJJS-BREXMAIKSA-N 1 2 241.287 0.743 20 0 BCADLO COCC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000756380799 585318759 /nfs/dbraw/zinc/31/87/59/585318759.db2.gz DQSNYOPQYRSACW-UHFFFAOYSA-N 1 2 245.319 0.534 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626175 585332559 /nfs/dbraw/zinc/33/25/59/585332559.db2.gz PIKORKHGHPLELI-XHDPSFHLSA-N 1 2 231.361 0.866 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839626175 585332560 /nfs/dbraw/zinc/33/25/60/585332560.db2.gz PIKORKHGHPLELI-XHDPSFHLSA-N 1 2 231.361 0.866 20 0 BCADLO O=c1n2ccncc2nn1C[NH+]1C2CCC1CC2 ZINC000758289380 585353549 /nfs/dbraw/zinc/35/35/49/585353549.db2.gz KWYXMZOZWYRZSL-UHFFFAOYSA-N 1 2 245.286 0.475 20 0 BCADLO CC[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758324818 585353571 /nfs/dbraw/zinc/35/35/71/585353571.db2.gz ZUDSDKKRRMCJKZ-VIFPVBQESA-N 1 2 210.281 0.414 20 0 BCADLO CC[C@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758324818 585353572 /nfs/dbraw/zinc/35/35/72/585353572.db2.gz ZUDSDKKRRMCJKZ-VIFPVBQESA-N 1 2 210.281 0.414 20 0 BCADLO CC[C@@H](C)C[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758318648 585353602 /nfs/dbraw/zinc/35/36/02/585353602.db2.gz BBKJDQNGQOXEEF-SNVBAGLBSA-N 1 2 249.318 0.826 20 0 BCADLO CC[C@@H](C)C[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758318648 585353603 /nfs/dbraw/zinc/35/36/03/585353603.db2.gz BBKJDQNGQOXEEF-SNVBAGLBSA-N 1 2 249.318 0.826 20 0 BCADLO CC[C@H](C)C[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758318644 585353633 /nfs/dbraw/zinc/35/36/33/585353633.db2.gz BBKJDQNGQOXEEF-JTQLQIEISA-N 1 2 249.318 0.826 20 0 BCADLO CC[C@H](C)C[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758318644 585353634 /nfs/dbraw/zinc/35/36/34/585353634.db2.gz BBKJDQNGQOXEEF-JTQLQIEISA-N 1 2 249.318 0.826 20 0 BCADLO C[C@@H]1CCCCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758333592 585353872 /nfs/dbraw/zinc/35/38/72/585353872.db2.gz WPSCYMUOPKNTTB-SNVBAGLBSA-N 1 2 224.308 0.804 20 0 BCADLO C[C@@H]1CCCCC[N@H+]1Cn1ncn(C)c1=O ZINC000758333592 585353873 /nfs/dbraw/zinc/35/38/73/585353873.db2.gz WPSCYMUOPKNTTB-SNVBAGLBSA-N 1 2 224.308 0.804 20 0 BCADLO C[N@H+](Cn1nc2n(c1=O)CCCC2)C1CCC1 ZINC000758338079 585354059 /nfs/dbraw/zinc/35/40/59/585354059.db2.gz KSWRRMFHEHEDQH-UHFFFAOYSA-N 1 2 236.319 0.823 20 0 BCADLO C[N@@H+](Cn1nc2n(c1=O)CCCC2)C1CCC1 ZINC000758338079 585354060 /nfs/dbraw/zinc/35/40/60/585354060.db2.gz KSWRRMFHEHEDQH-UHFFFAOYSA-N 1 2 236.319 0.823 20 0 BCADLO C[C@H]1C[C@H](C)[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758331838 585354089 /nfs/dbraw/zinc/35/40/89/585354089.db2.gz IIBIXDYHOIXZAS-IUCAKERBSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@H]1C[C@H](C)[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758331838 585354090 /nfs/dbraw/zinc/35/40/90/585354090.db2.gz IIBIXDYHOIXZAS-IUCAKERBSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758331836 585354126 /nfs/dbraw/zinc/35/41/26/585354126.db2.gz IIBIXDYHOIXZAS-BDAKNGLRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758331836 585354127 /nfs/dbraw/zinc/35/41/27/585354127.db2.gz IIBIXDYHOIXZAS-BDAKNGLRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@H]1CCCCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758333589 585354133 /nfs/dbraw/zinc/35/41/33/585354133.db2.gz WPSCYMUOPKNTTB-JTQLQIEISA-N 1 2 224.308 0.804 20 0 BCADLO C[C@H]1CCCCC[N@H+]1Cn1ncn(C)c1=O ZINC000758333589 585354134 /nfs/dbraw/zinc/35/41/34/585354134.db2.gz WPSCYMUOPKNTTB-JTQLQIEISA-N 1 2 224.308 0.804 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(COC)oc1=O ZINC000759733789 585379528 /nfs/dbraw/zinc/37/95/28/585379528.db2.gz YSXDLXLCRLMQTG-SECBINFHSA-N 1 2 241.291 0.815 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1nc(COC)oc1=O ZINC000759733789 585379529 /nfs/dbraw/zinc/37/95/29/585379529.db2.gz YSXDLXLCRLMQTG-SECBINFHSA-N 1 2 241.291 0.815 20 0 BCADLO C[C@H]1CC[N@H+](CC2OCCO2)CC[S@]1=O ZINC000759874782 585381338 /nfs/dbraw/zinc/38/13/38/585381338.db2.gz LEVGAQLRMMPBHT-BJOHPYRUSA-N 1 2 233.333 0.202 20 0 BCADLO C[C@H]1CC[N@@H+](CC2OCCO2)CC[S@]1=O ZINC000759874782 585381339 /nfs/dbraw/zinc/38/13/39/585381339.db2.gz LEVGAQLRMMPBHT-BJOHPYRUSA-N 1 2 233.333 0.202 20 0 BCADLO C[C@@H]1CC[N@H+](CC2OCCO2)CC[S@@]1=O ZINC000759874780 585381366 /nfs/dbraw/zinc/38/13/66/585381366.db2.gz LEVGAQLRMMPBHT-PSLIRLAXSA-N 1 2 233.333 0.202 20 0 BCADLO C[C@@H]1CC[N@@H+](CC2OCCO2)CC[S@@]1=O ZINC000759874780 585381367 /nfs/dbraw/zinc/38/13/67/585381367.db2.gz LEVGAQLRMMPBHT-PSLIRLAXSA-N 1 2 233.333 0.202 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C1CC(O)C1 ZINC000759875129 585382046 /nfs/dbraw/zinc/38/20/46/585382046.db2.gz XDOUPBRBZPXEDT-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000759875129 585382047 /nfs/dbraw/zinc/38/20/47/585382047.db2.gz XDOUPBRBZPXEDT-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO CCCNC(=S)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000760296596 585389606 /nfs/dbraw/zinc/38/96/06/585389606.db2.gz JYONOIKCSLYHLW-UWVGGRQHSA-N 1 2 243.376 0.286 20 0 BCADLO CCCNC(=S)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000760296596 585389607 /nfs/dbraw/zinc/38/96/07/585389607.db2.gz JYONOIKCSLYHLW-UWVGGRQHSA-N 1 2 243.376 0.286 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCC1OCCCO1 ZINC000760443841 585392710 /nfs/dbraw/zinc/39/27/10/585392710.db2.gz UHKBUFNZAIWFPD-MRVPVSSYSA-N 1 2 232.280 0.673 20 0 BCADLO Cn1ncc(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000805209775 585396691 /nfs/dbraw/zinc/39/66/91/585396691.db2.gz RZVAYWYKVILHBH-UHFFFAOYSA-N 1 2 248.290 0.108 20 0 BCADLO Cc1cnc(C[NH2+]C2(C(N)=O)CCCC2)nc1 ZINC000760863292 585400375 /nfs/dbraw/zinc/40/03/75/585400375.db2.gz RHPHCLORCNBVDK-UHFFFAOYSA-N 1 2 234.303 0.673 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761045114 585403634 /nfs/dbraw/zinc/40/36/34/585403634.db2.gz OIDHNGACWCPZLH-YFKPBYRVSA-N 1 2 239.197 0.066 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761045114 585403635 /nfs/dbraw/zinc/40/36/35/585403635.db2.gz OIDHNGACWCPZLH-YFKPBYRVSA-N 1 2 239.197 0.066 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761074258 585405178 /nfs/dbraw/zinc/40/51/78/585405178.db2.gz BJDZZYHBGPCRIG-TUAOUCFPSA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761074258 585405179 /nfs/dbraw/zinc/40/51/79/585405179.db2.gz BJDZZYHBGPCRIG-TUAOUCFPSA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761074249 585405487 /nfs/dbraw/zinc/40/54/87/585405487.db2.gz BJDZZYHBGPCRIG-QJPTWQEYSA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761074249 585405488 /nfs/dbraw/zinc/40/54/88/585405488.db2.gz BJDZZYHBGPCRIG-QJPTWQEYSA-N 1 2 241.379 0.926 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761076252 585405799 /nfs/dbraw/zinc/40/57/99/585405799.db2.gz MEXLNIHIGBOWKQ-VHSXEESVSA-N 1 2 225.336 0.289 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761076252 585405800 /nfs/dbraw/zinc/40/58/00/585405800.db2.gz MEXLNIHIGBOWKQ-VHSXEESVSA-N 1 2 225.336 0.289 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761076250 585405951 /nfs/dbraw/zinc/40/59/51/585405951.db2.gz MEXLNIHIGBOWKQ-NXEZZACHSA-N 1 2 225.336 0.289 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761076250 585405952 /nfs/dbraw/zinc/40/59/52/585405952.db2.gz MEXLNIHIGBOWKQ-NXEZZACHSA-N 1 2 225.336 0.289 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761076686 585406015 /nfs/dbraw/zinc/40/60/15/585406015.db2.gz JGFINFHMVRXIMW-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761076686 585406016 /nfs/dbraw/zinc/40/60/16/585406016.db2.gz JGFINFHMVRXIMW-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)NCC(F)(F)F ZINC000761083435 585407105 /nfs/dbraw/zinc/40/71/05/585407105.db2.gz JLQXQVODEFLUHK-NKWVEPMBSA-N 1 2 222.210 0.759 20 0 BCADLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)NCC(F)(F)F ZINC000761083435 585407106 /nfs/dbraw/zinc/40/71/06/585407106.db2.gz JLQXQVODEFLUHK-NKWVEPMBSA-N 1 2 222.210 0.759 20 0 BCADLO CC=CC[C@@H]1NC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000761232375 585412854 /nfs/dbraw/zinc/41/28/54/585412854.db2.gz NUJFYMPTSKKIPE-NWALNABHSA-N 1 2 248.286 0.807 20 0 BCADLO C[N@H+](CCOCC1CCC1)CCS(C)(=O)=O ZINC000761748186 585418394 /nfs/dbraw/zinc/41/83/94/585418394.db2.gz JGUKEUQQRDTJNJ-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO C[N@@H+](CCOCC1CCC1)CCS(C)(=O)=O ZINC000761748186 585418395 /nfs/dbraw/zinc/41/83/95/585418395.db2.gz JGUKEUQQRDTJNJ-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO COCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000761950484 585423378 /nfs/dbraw/zinc/42/33/78/585423378.db2.gz AINBRGVGJLNVRP-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO COCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000761950484 585423379 /nfs/dbraw/zinc/42/33/79/585423379.db2.gz AINBRGVGJLNVRP-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO Cc1ccc([C@H](O)CNC(=O)Cn2cc[nH+]c2)o1 ZINC000762516668 585433660 /nfs/dbraw/zinc/43/36/60/585433660.db2.gz CAWAKOVLTOFBLO-SNVBAGLBSA-N 1 2 249.270 0.634 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2ccnn2C)c[nH+]1 ZINC000762710232 585435898 /nfs/dbraw/zinc/43/58/98/585435898.db2.gz POYKYSAICPRHNU-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1CCOCC1 ZINC000763112339 585443163 /nfs/dbraw/zinc/44/31/63/585443163.db2.gz IZKBRHVEARLMHH-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO NC(=[NH+]OCCOCCO)c1cccc(F)c1 ZINC000763425242 585448051 /nfs/dbraw/zinc/44/80/51/585448051.db2.gz GEOSVYRKWDXNLY-UHFFFAOYSA-N 1 2 242.250 0.681 20 0 BCADLO NC(Cc1cccnc1)=[NH+]OCCOCCO ZINC000763420706 585448130 /nfs/dbraw/zinc/44/81/30/585448130.db2.gz WMUIFJXYKPOSSJ-UHFFFAOYSA-N 1 2 239.275 0.131 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676074 585451747 /nfs/dbraw/zinc/45/17/47/585451747.db2.gz QWGHUVBEDPUYFJ-QMMMGPOBSA-N 1 2 241.287 0.623 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673513 585451912 /nfs/dbraw/zinc/45/19/12/585451912.db2.gz GSMDLDTXPDZHKE-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673513 585451913 /nfs/dbraw/zinc/45/19/13/585451913.db2.gz GSMDLDTXPDZHKE-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673512 585452152 /nfs/dbraw/zinc/45/21/52/585452152.db2.gz GSMDLDTXPDZHKE-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673512 585452153 /nfs/dbraw/zinc/45/21/53/585452153.db2.gz GSMDLDTXPDZHKE-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000763874281 585455830 /nfs/dbraw/zinc/45/58/30/585455830.db2.gz HHCASMQDADDAND-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000763874281 585455831 /nfs/dbraw/zinc/45/58/31/585455831.db2.gz HHCASMQDADDAND-JTQLQIEISA-N 1 2 243.307 0.596 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764201688 585461332 /nfs/dbraw/zinc/46/13/32/585461332.db2.gz OUCAQPHNMLYBQG-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201688 585461333 /nfs/dbraw/zinc/46/13/33/585461333.db2.gz OUCAQPHNMLYBQG-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H]1CCN(C(C)C)C1=O ZINC000764204196 585461659 /nfs/dbraw/zinc/46/16/59/585461659.db2.gz NIVDYFPCRUSKED-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H]1CCN(C(C)C)C1=O ZINC000764204196 585461660 /nfs/dbraw/zinc/46/16/60/585461660.db2.gz NIVDYFPCRUSKED-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C(F)(F)C1(O)CCC1 ZINC000764323697 585463818 /nfs/dbraw/zinc/46/38/18/585463818.db2.gz TWJCXSGOPMIZPQ-UHFFFAOYSA-N 1 2 245.229 0.576 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C(F)(F)C1(O)CCC1 ZINC000764323697 585463819 /nfs/dbraw/zinc/46/38/19/585463819.db2.gz TWJCXSGOPMIZPQ-UHFFFAOYSA-N 1 2 245.229 0.576 20 0 BCADLO C[C@H]1CN(C(=O)C2SCCS2)CC[N@@H+]1C ZINC000764400686 585464910 /nfs/dbraw/zinc/46/49/10/585464910.db2.gz DLDGVMGKPXYJGS-QMMMGPOBSA-N 1 2 246.401 0.955 20 0 BCADLO C[C@H]1CN(C(=O)C2SCCS2)CC[N@H+]1C ZINC000764400686 585464911 /nfs/dbraw/zinc/46/49/11/585464911.db2.gz DLDGVMGKPXYJGS-QMMMGPOBSA-N 1 2 246.401 0.955 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000764899046 585477398 /nfs/dbraw/zinc/47/73/98/585477398.db2.gz KQUMBFMIHGLYCD-SECBINFHSA-N 1 2 249.314 0.810 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000764899046 585477399 /nfs/dbraw/zinc/47/73/99/585477399.db2.gz KQUMBFMIHGLYCD-SECBINFHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(NN1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000765240938 585483403 /nfs/dbraw/zinc/48/34/03/585483403.db2.gz GUPYNYZXAWKKSW-LLVKDONJSA-N 1 2 248.330 0.963 20 0 BCADLO O=C1NCCC[C@H]1[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000766918180 585511504 /nfs/dbraw/zinc/51/15/04/585511504.db2.gz KHEXZRORSOVLSZ-SNVBAGLBSA-N 1 2 249.318 0.263 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCCNC(=O)C1 ZINC000767312513 585516530 /nfs/dbraw/zinc/51/65/30/585516530.db2.gz LZXMTUMCGADHJV-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCCNC(=O)C1 ZINC000767312513 585516531 /nfs/dbraw/zinc/51/65/31/585516531.db2.gz LZXMTUMCGADHJV-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCNC1=O ZINC000767349220 585516970 /nfs/dbraw/zinc/51/69/70/585516970.db2.gz JZCQEHOEUDDPMH-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCNC1=O ZINC000767349220 585516971 /nfs/dbraw/zinc/51/69/71/585516971.db2.gz JZCQEHOEUDDPMH-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767371638 585517989 /nfs/dbraw/zinc/51/79/89/585517989.db2.gz UZUVUYPOEVMRRE-QMMMGPOBSA-N 1 2 210.277 0.176 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767371638 585517990 /nfs/dbraw/zinc/51/79/90/585517990.db2.gz UZUVUYPOEVMRRE-QMMMGPOBSA-N 1 2 210.277 0.176 20 0 BCADLO COCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767427025 585519918 /nfs/dbraw/zinc/51/99/18/585519918.db2.gz QRDVOHLCIPSPTR-AOOOYVTPSA-N 1 2 229.276 0.039 20 0 BCADLO COCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767427025 585519919 /nfs/dbraw/zinc/51/99/19/585519919.db2.gz QRDVOHLCIPSPTR-AOOOYVTPSA-N 1 2 229.276 0.039 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767516074 585521712 /nfs/dbraw/zinc/52/17/12/585521712.db2.gz ZMEUSXFIEGQPSV-GARJFASQSA-N 1 2 243.303 0.428 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767516074 585521713 /nfs/dbraw/zinc/52/17/13/585521713.db2.gz ZMEUSXFIEGQPSV-GARJFASQSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@H+](CCC1OCCO1)C1CC1 ZINC000767798080 585526194 /nfs/dbraw/zinc/52/61/94/585526194.db2.gz LDGQKXNLADNRNA-UHFFFAOYSA-N 1 2 229.276 0.387 20 0 BCADLO COC(=O)C[N@@H+](CCC1OCCO1)C1CC1 ZINC000767798080 585526195 /nfs/dbraw/zinc/52/61/95/585526195.db2.gz LDGQKXNLADNRNA-UHFFFAOYSA-N 1 2 229.276 0.387 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C)n(C)n1 ZINC000767826491 585526683 /nfs/dbraw/zinc/52/66/83/585526683.db2.gz DYMXNANKKMGMJK-QMMMGPOBSA-N 1 2 226.280 0.762 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@H](O)COC(C)C ZINC000768298609 585535431 /nfs/dbraw/zinc/53/54/31/585535431.db2.gz DCOUYVAIQWMOMR-SNVBAGLBSA-N 1 2 248.323 0.696 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CCO)C1CC1 ZINC000768851473 585544654 /nfs/dbraw/zinc/54/46/54/585544654.db2.gz IKNNZSDXBQYABL-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769025212 585547612 /nfs/dbraw/zinc/54/76/12/585547612.db2.gz JKYDHFGPVLKOPC-JQWIXIFHSA-N 1 2 248.330 0.710 20 0 BCADLO CON(C)C(=O)C[NH2+][C@@H](CCO)c1ccco1 ZINC000769223882 585551162 /nfs/dbraw/zinc/55/11/62/585551162.db2.gz XZSRZFXOLWGDNN-VIFPVBQESA-N 1 2 242.275 0.313 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000769452511 585557021 /nfs/dbraw/zinc/55/70/21/585557021.db2.gz UWVJJJKWLFMCAG-AOOOYVTPSA-N 1 2 224.260 0.089 20 0 BCADLO O[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000769452511 585557022 /nfs/dbraw/zinc/55/70/22/585557022.db2.gz UWVJJJKWLFMCAG-AOOOYVTPSA-N 1 2 224.260 0.089 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000769565391 585559752 /nfs/dbraw/zinc/55/97/52/585559752.db2.gz VONQXLBXNLOSHJ-PHIMTYICSA-N 1 2 238.287 0.480 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769565391 585559753 /nfs/dbraw/zinc/55/97/53/585559753.db2.gz VONQXLBXNLOSHJ-PHIMTYICSA-N 1 2 238.287 0.480 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)CC1COC1 ZINC000769694094 585561848 /nfs/dbraw/zinc/56/18/48/585561848.db2.gz ZZGVXRDQXHYNRQ-UHFFFAOYSA-N 1 2 249.314 0.800 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3ncccc32)C1 ZINC000770330027 585572700 /nfs/dbraw/zinc/57/27/00/585572700.db2.gz ZFMYCMBDOFRUKL-LBPRGKRZSA-N 1 2 247.298 0.301 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3ncccc32)C1 ZINC000770330027 585572701 /nfs/dbraw/zinc/57/27/01/585572701.db2.gz ZFMYCMBDOFRUKL-LBPRGKRZSA-N 1 2 247.298 0.301 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCC(O)CC1 ZINC000770401314 585573653 /nfs/dbraw/zinc/57/36/53/585573653.db2.gz WBPIXJJPRRQCRO-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000771013001 585587100 /nfs/dbraw/zinc/58/71/00/585587100.db2.gz ONNCQQGWGVPJQU-MNOVXSKESA-N 1 2 249.314 0.333 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)c1cccc2[nH+]ccn21 ZINC000771020655 585587398 /nfs/dbraw/zinc/58/73/98/585587398.db2.gz HCDUZPHWJVQXPQ-JTQLQIEISA-N 1 2 245.282 0.835 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)c1ccc2[nH+]ccn2c1 ZINC000771021958 585587499 /nfs/dbraw/zinc/58/74/99/585587499.db2.gz MEDHQCMLWMWYQT-NSHDSACASA-N 1 2 245.282 0.835 20 0 BCADLO C[N@H+](CCc1cnccn1)[C@H]1CCOC1=O ZINC000771461902 585594813 /nfs/dbraw/zinc/59/48/13/585594813.db2.gz GXFJVFXYXNELOZ-JTQLQIEISA-N 1 2 221.260 0.266 20 0 BCADLO C[N@@H+](CCc1cnccn1)[C@H]1CCOC1=O ZINC000771461902 585594814 /nfs/dbraw/zinc/59/48/14/585594814.db2.gz GXFJVFXYXNELOZ-JTQLQIEISA-N 1 2 221.260 0.266 20 0 BCADLO NC(Cc1cccnc1)=[NH+]O[C@@H]1CCNC1=O ZINC000771674836 585598983 /nfs/dbraw/zinc/59/89/83/585598983.db2.gz WOVMSJUYKTWHCO-SECBINFHSA-N 1 2 234.259 0.011 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)CCCO ZINC000300767860 585599448 /nfs/dbraw/zinc/59/94/48/585599448.db2.gz VJOYFPNIIYDBIP-UHFFFAOYSA-N 1 2 223.338 0.124 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)CCCO ZINC000300767860 585599447 /nfs/dbraw/zinc/59/94/47/585599447.db2.gz VJOYFPNIIYDBIP-UHFFFAOYSA-N 1 2 223.338 0.124 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771898930 585604149 /nfs/dbraw/zinc/60/41/49/585604149.db2.gz QVTHSGAUNMCYEN-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO Cn1cc(CCC(=O)OCCn2cc[nH+]c2)cn1 ZINC000771929228 585604602 /nfs/dbraw/zinc/60/46/02/585604602.db2.gz ZLIKACCKPSIPFN-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO COCCOCCC(=O)OCCn1cc[nH+]c1 ZINC000771940285 585605341 /nfs/dbraw/zinc/60/53/41/585605341.db2.gz YZGXZRYAZWEVND-UHFFFAOYSA-N 1 2 242.275 0.479 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772046635 585607600 /nfs/dbraw/zinc/60/76/00/585607600.db2.gz KUDIVZHGBBCJLD-ZJUUUORDSA-N 1 2 245.344 0.944 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772046635 585607601 /nfs/dbraw/zinc/60/76/01/585607601.db2.gz KUDIVZHGBBCJLD-ZJUUUORDSA-N 1 2 245.344 0.944 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772056520 585607696 /nfs/dbraw/zinc/60/76/96/585607696.db2.gz XVJNKIFCENNPIM-ZJUUUORDSA-N 1 2 224.260 0.851 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772056468 585607780 /nfs/dbraw/zinc/60/77/80/585607780.db2.gz XVJNKIFCENNPIM-NXEZZACHSA-N 1 2 224.260 0.851 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)COC)C1 ZINC000805471146 585623595 /nfs/dbraw/zinc/62/35/95/585623595.db2.gz AQLRRFCSKVOIRI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)COC)C1 ZINC000805471146 585623596 /nfs/dbraw/zinc/62/35/96/585623596.db2.gz AQLRRFCSKVOIRI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=COCC1 ZINC000772811118 585624589 /nfs/dbraw/zinc/62/45/89/585624589.db2.gz GUHCPHGSQOHNSJ-VIFPVBQESA-N 1 2 233.271 0.687 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=COCC1 ZINC000772811118 585624590 /nfs/dbraw/zinc/62/45/90/585624590.db2.gz GUHCPHGSQOHNSJ-VIFPVBQESA-N 1 2 233.271 0.687 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCO)C1 ZINC000805473493 585625979 /nfs/dbraw/zinc/62/59/79/585625979.db2.gz VWZZDTCWZWGHIE-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCCO)C1 ZINC000805473493 585625980 /nfs/dbraw/zinc/62/59/80/585625980.db2.gz VWZZDTCWZWGHIE-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2(C)COC2)C1 ZINC000805477906 585632728 /nfs/dbraw/zinc/63/27/28/585632728.db2.gz PLOVWWKFYVSBOM-SNVBAGLBSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2(C)COC2)C1 ZINC000805477906 585632729 /nfs/dbraw/zinc/63/27/29/585632729.db2.gz PLOVWWKFYVSBOM-SNVBAGLBSA-N 1 2 243.303 0.287 20 0 BCADLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1nnc[nH]1 ZINC000773281427 585634681 /nfs/dbraw/zinc/63/46/81/585634681.db2.gz CSZNUWKMAURKCW-MRVPVSSYSA-N 1 2 248.290 0.376 20 0 BCADLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ncn[nH]1 ZINC000773281427 585634682 /nfs/dbraw/zinc/63/46/82/585634682.db2.gz CSZNUWKMAURKCW-MRVPVSSYSA-N 1 2 248.290 0.376 20 0 BCADLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1nc[nH]n1 ZINC000773281427 585634683 /nfs/dbraw/zinc/63/46/83/585634683.db2.gz CSZNUWKMAURKCW-MRVPVSSYSA-N 1 2 248.290 0.376 20 0 BCADLO CCOCCONC(=O)NCc1[nH+]ccn1C ZINC000773312565 585634931 /nfs/dbraw/zinc/63/49/31/585634931.db2.gz FDULDQSPTXTODH-UHFFFAOYSA-N 1 2 242.279 0.187 20 0 BCADLO Cc1nonc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000774100044 585650436 /nfs/dbraw/zinc/65/04/36/585650436.db2.gz QCURFOAQGFIVEN-SNVBAGLBSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nonc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774100044 585650437 /nfs/dbraw/zinc/65/04/37/585650437.db2.gz QCURFOAQGFIVEN-SNVBAGLBSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nonc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774100032 585650496 /nfs/dbraw/zinc/65/04/96/585650496.db2.gz QCURFOAQGFIVEN-JTQLQIEISA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nonc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774100032 585650497 /nfs/dbraw/zinc/65/04/97/585650497.db2.gz QCURFOAQGFIVEN-JTQLQIEISA-N 1 2 239.275 0.906 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000774545924 585660858 /nfs/dbraw/zinc/66/08/58/585660858.db2.gz CHUAPQPHGUNPHJ-IUCAKERBSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000774545924 585660859 /nfs/dbraw/zinc/66/08/59/585660859.db2.gz CHUAPQPHGUNPHJ-IUCAKERBSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000774545922 585661038 /nfs/dbraw/zinc/66/10/38/585661038.db2.gz CHUAPQPHGUNPHJ-DTWKUNHWSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000774545922 585661039 /nfs/dbraw/zinc/66/10/39/585661039.db2.gz CHUAPQPHGUNPHJ-DTWKUNHWSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000774560767 585661243 /nfs/dbraw/zinc/66/12/43/585661243.db2.gz NZYQXVIHBLXNRW-UHFFFAOYSA-N 1 2 243.332 0.903 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000774560767 585661244 /nfs/dbraw/zinc/66/12/44/585661244.db2.gz NZYQXVIHBLXNRW-UHFFFAOYSA-N 1 2 243.332 0.903 20 0 BCADLO CC[N@H+](CCc1ccccn1)Cc1n[nH]c(=O)[nH]1 ZINC000774664064 585662834 /nfs/dbraw/zinc/66/28/34/585662834.db2.gz OLJLRLLOAPCIOY-UHFFFAOYSA-N 1 2 247.302 0.970 20 0 BCADLO CC[N@@H+](CCc1ccccn1)Cc1n[nH]c(=O)[nH]1 ZINC000774664064 585662835 /nfs/dbraw/zinc/66/28/35/585662835.db2.gz OLJLRLLOAPCIOY-UHFFFAOYSA-N 1 2 247.302 0.970 20 0 BCADLO COC[C@@H](O)C(=O)OCc1c[nH+]ccc1OC ZINC000805521243 585664190 /nfs/dbraw/zinc/66/41/90/585664190.db2.gz XXDUVOSHJKYWCE-SECBINFHSA-N 1 2 241.243 0.141 20 0 BCADLO C[C@H](C(=O)OCCCO)[NH+]1CCSCC1 ZINC000774975615 585670128 /nfs/dbraw/zinc/67/01/28/585670128.db2.gz BTRDFMLJJDGXMC-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO Fc1cc(C[N@@H+]2CCn3ncnc3C2)ccn1 ZINC000859254917 589024267 /nfs/dbraw/zinc/02/42/67/589024267.db2.gz FHOQEDUHMKHRBP-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cc(C[N@H+]2CCn3ncnc3C2)ccn1 ZINC000859254917 589024269 /nfs/dbraw/zinc/02/42/69/589024269.db2.gz FHOQEDUHMKHRBP-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO CC(=O)N1CC[N@H+](CCF)C(C)(C)C1 ZINC000775560894 585679374 /nfs/dbraw/zinc/67/93/74/585679374.db2.gz FDQPYHMFSMKCKX-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO CC(=O)N1CC[N@@H+](CCF)C(C)(C)C1 ZINC000775560894 585679375 /nfs/dbraw/zinc/67/93/75/585679375.db2.gz FDQPYHMFSMKCKX-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1cn(C)nn1 ZINC000775569009 585680264 /nfs/dbraw/zinc/68/02/64/585680264.db2.gz KRTWJWQXUNFHQN-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1cn(C)nn1 ZINC000775569009 585680265 /nfs/dbraw/zinc/68/02/65/585680265.db2.gz KRTWJWQXUNFHQN-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000775569904 585680277 /nfs/dbraw/zinc/68/02/77/585680277.db2.gz HZLPXLSVVNPURO-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1nnnn1C1CC1 ZINC000775569904 585680278 /nfs/dbraw/zinc/68/02/78/585680278.db2.gz HZLPXLSVVNPURO-VIFPVBQESA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1nncn1C ZINC000775570416 585680523 /nfs/dbraw/zinc/68/05/23/585680523.db2.gz LOXSEYXUNMIQEH-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1nncn1C ZINC000775570416 585680524 /nfs/dbraw/zinc/68/05/24/585680524.db2.gz LOXSEYXUNMIQEH-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000775664212 585682660 /nfs/dbraw/zinc/68/26/60/585682660.db2.gz QYFQTBCSHXQWHE-UHFFFAOYSA-N 1 2 236.319 0.304 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCCNC(=O)C1 ZINC000775664212 585682661 /nfs/dbraw/zinc/68/26/61/585682661.db2.gz QYFQTBCSHXQWHE-UHFFFAOYSA-N 1 2 236.319 0.304 20 0 BCADLO O=C1CN(Cc2cccc3[nH+]ccn32)CCCN1 ZINC000775662652 585682832 /nfs/dbraw/zinc/68/28/32/585682832.db2.gz GPTQHINAZAMODF-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1C[N@H+](Cc2cccc3nccn32)CCCN1 ZINC000775662652 585682833 /nfs/dbraw/zinc/68/28/33/585682833.db2.gz GPTQHINAZAMODF-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3nccn32)CCCN1 ZINC000775662652 585682834 /nfs/dbraw/zinc/68/28/34/585682834.db2.gz GPTQHINAZAMODF-UHFFFAOYSA-N 1 2 244.298 0.656 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1c[nH]c(=S)[nH]1 ZINC000776345886 585696192 /nfs/dbraw/zinc/69/61/92/585696192.db2.gz LMYZPQOISCIQRP-UHFFFAOYSA-N 1 2 236.256 0.473 20 0 BCADLO c1nncn1C[NH+]1CCN(c2ccccn2)CC1 ZINC000776755537 585703820 /nfs/dbraw/zinc/70/38/20/585703820.db2.gz DLAHOFWAYOIQDT-UHFFFAOYSA-N 1 2 244.302 0.453 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000776773688 585705154 /nfs/dbraw/zinc/70/51/54/585705154.db2.gz UYOCPKCVWLIZHU-CMPLNLGQSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000776773688 585705155 /nfs/dbraw/zinc/70/51/55/585705155.db2.gz UYOCPKCVWLIZHU-CMPLNLGQSA-N 1 2 238.331 0.923 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776801603 585706053 /nfs/dbraw/zinc/70/60/53/585706053.db2.gz WLNDTLKQTHMQTP-JTQLQIEISA-N 1 2 228.292 0.117 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776801603 585706054 /nfs/dbraw/zinc/70/60/54/585706054.db2.gz WLNDTLKQTHMQTP-JTQLQIEISA-N 1 2 228.292 0.117 20 0 BCADLO O=C1OCCN1CCOCc1[nH]cc[nH+]1 ZINC000776860425 585706261 /nfs/dbraw/zinc/70/62/61/585706261.db2.gz GHSLXYCGWZROPP-UHFFFAOYSA-N 1 2 211.221 0.379 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776879276 585706511 /nfs/dbraw/zinc/70/65/11/585706511.db2.gz SVVDMTVNFVPNBP-SECBINFHSA-N 1 2 234.263 0.417 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776879276 585706512 /nfs/dbraw/zinc/70/65/12/585706512.db2.gz SVVDMTVNFVPNBP-SECBINFHSA-N 1 2 234.263 0.417 20 0 BCADLO C[C@@](O)(C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000805580672 585709634 /nfs/dbraw/zinc/70/96/34/585709634.db2.gz ZPHQYXQQEZYQAA-LBPRGKRZSA-N 1 2 238.287 0.977 20 0 BCADLO O=C1CCCN1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000777575273 585715797 /nfs/dbraw/zinc/71/57/97/585715797.db2.gz RNCLEZDSRKAMCY-UHFFFAOYSA-N 1 2 248.273 0.658 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000777713731 585718855 /nfs/dbraw/zinc/71/88/55/585718855.db2.gz TZCLNDBGPPZPOT-SNVBAGLBSA-N 1 2 213.277 0.470 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000777713731 585718856 /nfs/dbraw/zinc/71/88/56/585718856.db2.gz TZCLNDBGPPZPOT-SNVBAGLBSA-N 1 2 213.277 0.470 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CCC=CO2)CC1 ZINC000777836227 585720792 /nfs/dbraw/zinc/72/07/92/585720792.db2.gz JORCUAURFMBTDD-SNVBAGLBSA-N 1 2 210.277 0.453 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC=CO1 ZINC000777839027 585721086 /nfs/dbraw/zinc/72/10/86/585721086.db2.gz TZSMGYDSPOJQIT-NSHDSACASA-N 1 2 240.303 0.128 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000778240088 585728938 /nfs/dbraw/zinc/72/89/38/585728938.db2.gz XBOLWRZPZQJVPL-RKDXNWHRSA-N 1 2 218.272 0.686 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000778240088 585728939 /nfs/dbraw/zinc/72/89/39/585728939.db2.gz XBOLWRZPZQJVPL-RKDXNWHRSA-N 1 2 218.272 0.686 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1cn[nH]n1 ZINC000805604756 585731368 /nfs/dbraw/zinc/73/13/68/585731368.db2.gz QMBBFMVKKFROKR-UHFFFAOYSA-N 1 2 234.215 0.565 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)COC1 ZINC000779096184 585745084 /nfs/dbraw/zinc/74/50/84/585745084.db2.gz OTBXIUONJBAUNQ-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO C[N@H+](Cc1ccc(F)nc1)[C@@H]1CCNC1=O ZINC000779167542 585746896 /nfs/dbraw/zinc/74/68/96/585746896.db2.gz DLNSUDWPYKGJNK-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccc(F)nc1)[C@@H]1CCNC1=O ZINC000779167542 585746897 /nfs/dbraw/zinc/74/68/97/585746897.db2.gz DLNSUDWPYKGJNK-SECBINFHSA-N 1 2 223.251 0.541 20 0 BCADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C(C)C ZINC000779563085 585756262 /nfs/dbraw/zinc/75/62/62/585756262.db2.gz MTZROSMKZDREGU-VIFPVBQESA-N 1 2 239.275 0.197 20 0 BCADLO CC[C@H](CO)C(=O)NCCn1cc[nH+]c1 ZINC000779739120 585760252 /nfs/dbraw/zinc/76/02/52/585760252.db2.gz JEGHNGFYLUHPLI-SECBINFHSA-N 1 2 211.265 0.018 20 0 BCADLO CC[C@@H](CO)C(=O)NCCc1[nH]cc[nH+]1 ZINC000779778877 585761443 /nfs/dbraw/zinc/76/14/43/585761443.db2.gz PBNYACHSJYZCBV-QMMMGPOBSA-N 1 2 211.265 0.087 20 0 BCADLO CC[C@H](CO)C(=O)NCCCCn1cc[nH+]c1 ZINC000779779775 585762704 /nfs/dbraw/zinc/76/27/04/585762704.db2.gz JLOABYCNPFXGPQ-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO CC[C@@H](CO)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000779789871 585763519 /nfs/dbraw/zinc/76/35/19/585763519.db2.gz YAYARJJHFZIVIS-MNOVXSKESA-N 1 2 239.319 0.654 20 0 BCADLO C[NH+](C)[C@@H](C(=O)OCCO)c1ccccc1 ZINC000780087885 585772514 /nfs/dbraw/zinc/77/25/14/585772514.db2.gz MLCSJQCANRHNSO-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO Cc1nnc(CO[NH+]=C(N)CCO)s1 ZINC000780127709 585772739 /nfs/dbraw/zinc/77/27/39/585772739.db2.gz JWIISSWLWKURSX-UHFFFAOYSA-N 1 2 216.266 0.227 20 0 BCADLO CC(C)N1CC[N@H+](CCC(=O)C2CC2)CC1=O ZINC000780369547 585778311 /nfs/dbraw/zinc/77/83/11/585778311.db2.gz IAMZCDBSINAZFL-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC(C)N1CC[N@@H+](CCC(=O)C2CC2)CC1=O ZINC000780369547 585778312 /nfs/dbraw/zinc/77/83/12/585778312.db2.gz IAMZCDBSINAZFL-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781557864 585798442 /nfs/dbraw/zinc/79/84/42/585798442.db2.gz XNGYPVTVZANNBO-NSHDSACASA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781557864 585798443 /nfs/dbraw/zinc/79/84/43/585798443.db2.gz XNGYPVTVZANNBO-NSHDSACASA-N 1 2 241.335 0.065 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C)OC ZINC000781892848 585804560 /nfs/dbraw/zinc/80/45/60/585804560.db2.gz AKSUVVPMWHPNNO-OLBFVZFUSA-N 1 2 235.349 0.447 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C)OC ZINC000781892848 585804561 /nfs/dbraw/zinc/80/45/61/585804561.db2.gz AKSUVVPMWHPNNO-OLBFVZFUSA-N 1 2 235.349 0.447 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000781927627 585805366 /nfs/dbraw/zinc/80/53/66/585805366.db2.gz ZEBQPEKEOFZDAS-SNVBAGLBSA-N 1 2 224.260 0.226 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000781927627 585805367 /nfs/dbraw/zinc/80/53/67/585805367.db2.gz ZEBQPEKEOFZDAS-SNVBAGLBSA-N 1 2 224.260 0.226 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000781961791 585806089 /nfs/dbraw/zinc/80/60/89/585806089.db2.gz IXOGPFMUCXZSHN-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000781961791 585806090 /nfs/dbraw/zinc/80/60/90/585806090.db2.gz IXOGPFMUCXZSHN-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO O=C(NN1CN=NC1=O)c1ccc2[nH+]ccn2c1 ZINC000782125088 585808197 /nfs/dbraw/zinc/80/81/97/585808197.db2.gz UZMUSGIIJUVTLK-UHFFFAOYSA-N 1 2 244.214 0.015 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCO1 ZINC000782238368 585812777 /nfs/dbraw/zinc/81/27/77/585812777.db2.gz ICDPJQMGHXNQLR-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC=CCC2)C1 ZINC000782275029 585813788 /nfs/dbraw/zinc/81/37/88/585813788.db2.gz CQCVVIMNAFFPAE-SNVBAGLBSA-N 1 2 238.287 0.227 20 0 BCADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC=CCC2)C1 ZINC000782275029 585813789 /nfs/dbraw/zinc/81/37/89/585813789.db2.gz CQCVVIMNAFFPAE-SNVBAGLBSA-N 1 2 238.287 0.227 20 0 BCADLO CO[C@@H](C)C[N@H+](C)CCS(=O)(=O)C(C)C ZINC000782487666 585818979 /nfs/dbraw/zinc/81/89/79/585818979.db2.gz WUSWHPPIEHINDC-JTQLQIEISA-N 1 2 237.365 0.776 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000782487666 585818980 /nfs/dbraw/zinc/81/89/80/585818980.db2.gz WUSWHPPIEHINDC-JTQLQIEISA-N 1 2 237.365 0.776 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC1OCCO1 ZINC000782572689 585820334 /nfs/dbraw/zinc/82/03/34/585820334.db2.gz ATIJHIRYUFQTGM-SNVBAGLBSA-N 1 2 242.319 0.206 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC1OCCO1 ZINC000782572689 585820335 /nfs/dbraw/zinc/82/03/35/585820335.db2.gz ATIJHIRYUFQTGM-SNVBAGLBSA-N 1 2 242.319 0.206 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)C1CC1 ZINC000782580878 585820648 /nfs/dbraw/zinc/82/06/48/585820648.db2.gz NTSMJUBLTRMSSP-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)C1CC1 ZINC000782580878 585820649 /nfs/dbraw/zinc/82/06/49/585820649.db2.gz NTSMJUBLTRMSSP-VIFPVBQESA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1cccn1 ZINC000782586547 585821038 /nfs/dbraw/zinc/82/10/38/585821038.db2.gz OGHZIRSHWVOGKE-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCn1cccn1 ZINC000782586547 585821039 /nfs/dbraw/zinc/82/10/39/585821039.db2.gz OGHZIRSHWVOGKE-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOC(C)(C)C ZINC000782592981 585821167 /nfs/dbraw/zinc/82/11/67/585821167.db2.gz BWQPARJZNLJWOG-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOC(C)(C)C ZINC000782592981 585821168 /nfs/dbraw/zinc/82/11/68/585821168.db2.gz BWQPARJZNLJWOG-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO Cc1c(C[N@H+]2CC(=O)N(C)C[C@H]2C)cnn1C ZINC000782597013 585821282 /nfs/dbraw/zinc/82/12/82/585821282.db2.gz UOHYDBRMNNEOEJ-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cnn1C ZINC000782597013 585821283 /nfs/dbraw/zinc/82/12/83/585821283.db2.gz UOHYDBRMNNEOEJ-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782618366 585822701 /nfs/dbraw/zinc/82/27/01/585822701.db2.gz ASYIWTJSXMTOGM-AXFHLTTASA-N 1 2 249.376 0.919 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782618366 585822702 /nfs/dbraw/zinc/82/27/02/585822702.db2.gz ASYIWTJSXMTOGM-AXFHLTTASA-N 1 2 249.376 0.919 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1COCCO1 ZINC000782792697 585824535 /nfs/dbraw/zinc/82/45/35/585824535.db2.gz MAPSEOXRSYYQKM-JTQLQIEISA-N 1 2 240.259 0.232 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cn1cnnc1 ZINC000783540358 585836440 /nfs/dbraw/zinc/83/64/40/585836440.db2.gz VSLKBQMFRHKVHM-SNVBAGLBSA-N 1 2 237.307 0.082 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cn1cnnc1 ZINC000783540358 585836441 /nfs/dbraw/zinc/83/64/41/585836441.db2.gz VSLKBQMFRHKVHM-SNVBAGLBSA-N 1 2 237.307 0.082 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)[C@H](C)[C@H](C)O1 ZINC000783540611 585836523 /nfs/dbraw/zinc/83/65/23/585836523.db2.gz FGVJZEWQTQZEQR-BBBLOLIVSA-N 1 2 210.281 0.733 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)[C@H](C)[C@H](C)O1 ZINC000783540611 585836524 /nfs/dbraw/zinc/83/65/24/585836524.db2.gz FGVJZEWQTQZEQR-BBBLOLIVSA-N 1 2 210.281 0.733 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(C2(O)CCC2)n1 ZINC000783629347 585838919 /nfs/dbraw/zinc/83/89/19/585838919.db2.gz ODBVVXDBBNPDTA-UHFFFAOYSA-N 1 2 234.259 0.765 20 0 BCADLO O=C(NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000783843845 585844335 /nfs/dbraw/zinc/84/43/35/585844335.db2.gz ADBYUERSCQPSBS-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO O=C(NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000783843845 585844336 /nfs/dbraw/zinc/84/43/36/585844336.db2.gz ADBYUERSCQPSBS-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO CC(C)[C@H](F)C(=O)NCCn1cc[nH+]c1 ZINC000784021705 585847126 /nfs/dbraw/zinc/84/71/26/585847126.db2.gz VBYPTKRGIWZAAD-VIFPVBQESA-N 1 2 213.256 0.993 20 0 BCADLO Cn1nc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000859269637 589026067 /nfs/dbraw/zinc/02/60/67/589026067.db2.gz FCEKMXULRBZWIQ-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1nc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000859269637 589026069 /nfs/dbraw/zinc/02/60/69/589026069.db2.gz FCEKMXULRBZWIQ-GZMMTYOYSA-N 1 2 241.722 0.888 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCC[NH+]1CCOCC1 ZINC000784280933 585854445 /nfs/dbraw/zinc/85/44/45/585854445.db2.gz IKZXDPYHRDBFMC-SNVBAGLBSA-N 1 2 232.299 0.429 20 0 BCADLO CC(C)[C@H](F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000784384634 585857547 /nfs/dbraw/zinc/85/75/47/585857547.db2.gz PXRPLILQNHQEOO-QWRGUYRKSA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@H](F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000784384634 585857548 /nfs/dbraw/zinc/85/75/48/585857548.db2.gz PXRPLILQNHQEOO-QWRGUYRKSA-N 1 2 246.326 0.817 20 0 BCADLO Fc1cc(C[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000859273154 589026176 /nfs/dbraw/zinc/02/61/76/589026176.db2.gz BVDKVFZFEMPNEC-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO Fc1cc(C[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000859273154 589026178 /nfs/dbraw/zinc/02/61/78/589026178.db2.gz BVDKVFZFEMPNEC-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO CC1(C(=O)OCCCn2cc[nH+]c2)COC1 ZINC000784644074 585865355 /nfs/dbraw/zinc/86/53/55/585865355.db2.gz RVPXGNUFOIUEAC-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO CC(C)OCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784916031 585868483 /nfs/dbraw/zinc/86/84/83/585868483.db2.gz ARVPDTCTVLDYKY-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000785985869 585884717 /nfs/dbraw/zinc/88/47/17/585884717.db2.gz RRWMHXFNGFDDMT-VIFPVBQESA-N 1 2 230.289 0.142 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000785985869 585884718 /nfs/dbraw/zinc/88/47/18/585884718.db2.gz RRWMHXFNGFDDMT-VIFPVBQESA-N 1 2 230.289 0.142 20 0 BCADLO O=C(Cc1ccon1)OCC[NH+]1CCOCC1 ZINC000786016105 585885417 /nfs/dbraw/zinc/88/54/17/585885417.db2.gz ZJJNCFYOFHTUOM-UHFFFAOYSA-N 1 2 240.259 0.093 20 0 BCADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)ncn1 ZINC000786115412 585887772 /nfs/dbraw/zinc/88/77/72/585887772.db2.gz BIGWUJXBKUQIHX-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO C[NH+](C)C1(C(=O)N2CCc3[nH]nnc3C2)CCC1 ZINC000787080555 585900850 /nfs/dbraw/zinc/90/08/50/585900850.db2.gz VUQNYTMAARVYCG-UHFFFAOYSA-N 1 2 249.318 0.174 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1cn[nH]c1 ZINC000787105569 585901417 /nfs/dbraw/zinc/90/14/17/585901417.db2.gz OZAYOLDYTYOPTN-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)cn1 ZINC000787185257 585902767 /nfs/dbraw/zinc/90/27/67/585902767.db2.gz ZSAZTLJIMQUDQR-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)cn1 ZINC000787185257 585902768 /nfs/dbraw/zinc/90/27/68/585902768.db2.gz ZSAZTLJIMQUDQR-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000787229565 585903682 /nfs/dbraw/zinc/90/36/82/585903682.db2.gz RFINXPUJXYFAPS-AXFHLTTASA-N 1 2 244.310 0.871 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000787229565 585903683 /nfs/dbraw/zinc/90/36/83/585903683.db2.gz RFINXPUJXYFAPS-AXFHLTTASA-N 1 2 244.310 0.871 20 0 BCADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787453266 585909478 /nfs/dbraw/zinc/90/94/78/585909478.db2.gz QGJPNBTZAQSHNK-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000787537836 585911371 /nfs/dbraw/zinc/91/13/71/585911371.db2.gz FUAQPPZJDTUQJD-ZCFIWIBFSA-N 1 2 215.203 0.579 20 0 BCADLO Cn1nncc1NC(=O)NCCCn1cc[nH+]c1 ZINC000787791287 585916128 /nfs/dbraw/zinc/91/61/28/585916128.db2.gz APTVBVUHAQOEHD-UHFFFAOYSA-N 1 2 249.278 0.223 20 0 BCADLO CC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000787959692 585917968 /nfs/dbraw/zinc/91/79/68/585917968.db2.gz GNNJFVJDFSOCQY-SECBINFHSA-N 1 2 201.266 0.705 20 0 BCADLO COC(C[N@@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000787996163 585918309 /nfs/dbraw/zinc/91/83/09/585918309.db2.gz MFPKBENWUIZNIA-OAHLLOKOSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[S@@](=O)CC1(C)C)OC ZINC000787996163 585918310 /nfs/dbraw/zinc/91/83/10/585918310.db2.gz MFPKBENWUIZNIA-OAHLLOKOSA-N 1 2 235.349 0.448 20 0 BCADLO CC(=O)OCCC[S@@](=O)Cc1[nH+]ccn1C ZINC000788400798 585922506 /nfs/dbraw/zinc/92/25/06/585922506.db2.gz VAOLLGZLGYDGSC-MRXNPFEDSA-N 1 2 244.316 0.622 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H]1CCOC1=O)C1CC1 ZINC000788466971 585925028 /nfs/dbraw/zinc/92/50/28/585925028.db2.gz XXFMBMOCAUMNIW-ZJUUUORDSA-N 1 2 241.287 0.481 20 0 BCADLO CCc1cc(NC[C@H]2CC(C(N)=O)=NO2)nc[nH+]1 ZINC000788552729 585926939 /nfs/dbraw/zinc/92/69/39/585926939.db2.gz OTXZQTPAARMCEC-MRVPVSSYSA-N 1 2 249.274 0.081 20 0 BCADLO CC(C)C1(O)C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000789308636 585939570 /nfs/dbraw/zinc/93/95/70/585939570.db2.gz OUABHTBKKUHYGN-JTQLQIEISA-N 1 2 247.360 0.124 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC000789322052 585939778 /nfs/dbraw/zinc/93/97/78/585939778.db2.gz NBGIPLHKTZNUTN-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC000789322052 585939779 /nfs/dbraw/zinc/93/97/79/585939779.db2.gz NBGIPLHKTZNUTN-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC000789322049 585939783 /nfs/dbraw/zinc/93/97/83/585939783.db2.gz NBGIPLHKTZNUTN-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC000789322049 585939784 /nfs/dbraw/zinc/93/97/84/585939784.db2.gz NBGIPLHKTZNUTN-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO COC[C@@H]([NH2+]Cc1nonc1C)[C@@H]1CCCO1 ZINC000789382146 585941959 /nfs/dbraw/zinc/94/19/59/585941959.db2.gz JTWKYJUTNZAHCZ-MNOVXSKESA-N 1 2 241.291 0.662 20 0 BCADLO COC[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789604242 585945824 /nfs/dbraw/zinc/94/58/24/585945824.db2.gz ALIVRJKTPBCAIE-HTQZYQBOSA-N 1 2 202.254 0.699 20 0 BCADLO Cc1nccc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789608896 585946425 /nfs/dbraw/zinc/94/64/25/585946425.db2.gz GGYUMTJGXRUYNE-JTQLQIEISA-N 1 2 236.275 0.962 20 0 BCADLO CCc1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789609826 585946642 /nfs/dbraw/zinc/94/66/42/585946642.db2.gz HMWXRYYPDMYLAR-ZETCQYMHSA-N 1 2 240.263 0.809 20 0 BCADLO CN(C(=O)CO[NH+]=C(N)[C@H]1CCCO1)C1CC1 ZINC000789613035 585946910 /nfs/dbraw/zinc/94/69/10/585946910.db2.gz TTZOQQDFBBMKJL-SECBINFHSA-N 1 2 241.291 0.285 20 0 BCADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)nn1C ZINC000789771339 585949474 /nfs/dbraw/zinc/94/94/74/585949474.db2.gz HPWSXGNMVJFSKN-UHFFFAOYSA-N 1 2 248.286 0.862 20 0 BCADLO COCCCC(=O)OCCc1c[nH+]cn1C ZINC000789773170 585949686 /nfs/dbraw/zinc/94/96/86/585949686.db2.gz VNCCLIFWOPDDFC-UHFFFAOYSA-N 1 2 226.276 0.932 20 0 BCADLO Cc1nc(COC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC000789804795 585950889 /nfs/dbraw/zinc/95/08/89/585950889.db2.gz VMOVIPWITHBYMZ-JTQLQIEISA-N 1 2 240.307 0.743 20 0 BCADLO CC[C@H](C(=O)NC1=[NH+]CCS1)[C@@H](C)O ZINC000790070683 585957268 /nfs/dbraw/zinc/95/72/68/585957268.db2.gz ZBEPNWFNGPPWKA-RQJHMYQMSA-N 1 2 216.306 0.612 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(F)F ZINC000790136302 585958580 /nfs/dbraw/zinc/95/85/80/585958580.db2.gz PXNJVNKXQHXYJE-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000790348377 585963995 /nfs/dbraw/zinc/96/39/95/585963995.db2.gz VFLRRPAFXLPKTN-CMPLNLGQSA-N 1 2 236.319 0.502 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000790348377 585963996 /nfs/dbraw/zinc/96/39/96/585963996.db2.gz VFLRRPAFXLPKTN-CMPLNLGQSA-N 1 2 236.319 0.502 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+](CCS(C)(=O)=O)CCO1 ZINC000790436405 585964602 /nfs/dbraw/zinc/96/46/02/585964602.db2.gz XPPBEFWCRWRLPT-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000790436405 585964603 /nfs/dbraw/zinc/96/46/03/585964603.db2.gz XPPBEFWCRWRLPT-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO Cn1ccsc1=NC(=O)CCc1[nH]cc[nH+]1 ZINC000791203657 585975103 /nfs/dbraw/zinc/97/51/03/585975103.db2.gz DBYAUMJAMWTSPQ-UHFFFAOYSA-N 1 2 236.300 0.870 20 0 BCADLO COC/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000791291609 585976012 /nfs/dbraw/zinc/97/60/12/585976012.db2.gz ASNIMCGGERVOQQ-DUXPYHPUSA-N 1 2 223.276 0.592 20 0 BCADLO COC/C=C\C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000791314744 585977146 /nfs/dbraw/zinc/97/71/46/585977146.db2.gz CWEFUFNEVBUXSL-PLNGDYQASA-N 1 2 249.314 0.966 20 0 BCADLO COC/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000791326657 585977315 /nfs/dbraw/zinc/97/73/15/585977315.db2.gz HHQMDJXTXQVZGE-UFFNRZRYSA-N 1 2 242.319 0.026 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](CCF)CCO2 ZINC000791585705 585984793 /nfs/dbraw/zinc/98/47/93/585984793.db2.gz PDSSMLSJLZQUIU-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](CCF)CCO2 ZINC000791585705 585984794 /nfs/dbraw/zinc/98/47/94/585984794.db2.gz PDSSMLSJLZQUIU-NXEZZACHSA-N 1 2 203.257 0.836 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000791742386 585987153 /nfs/dbraw/zinc/98/71/53/585987153.db2.gz AFCFPMACSZWPPD-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO C[C@H](O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000791927738 585991678 /nfs/dbraw/zinc/99/16/78/585991678.db2.gz BGBLMYKFXGOJQD-DTWKUNHWSA-N 1 2 201.266 0.395 20 0 BCADLO C[C@H](O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000791927738 585991679 /nfs/dbraw/zinc/99/16/79/585991679.db2.gz BGBLMYKFXGOJQD-DTWKUNHWSA-N 1 2 201.266 0.395 20 0 BCADLO Nc1cc(COC(=O)c2ccnnc2)cc[nH+]1 ZINC000792062065 585995305 /nfs/dbraw/zinc/99/53/05/585995305.db2.gz CIPZRYMAMVQDSI-UHFFFAOYSA-N 1 2 230.227 0.811 20 0 BCADLO CN1CC[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1=O ZINC000792151312 585996632 /nfs/dbraw/zinc/99/66/32/585996632.db2.gz OSHYWUWRRKOMNP-VIFPVBQESA-N 1 2 249.270 0.185 20 0 BCADLO CO[C@@H]1C[N@H+](CN2CCSC2=O)C[C@@H]1OC ZINC000792713456 586004226 /nfs/dbraw/zinc/00/42/26/586004226.db2.gz LBXZJAAKGWIGGN-DTORHVGOSA-N 1 2 246.332 0.458 20 0 BCADLO CO[C@@H]1C[N@@H+](CN2CCSC2=O)C[C@@H]1OC ZINC000792713456 586004227 /nfs/dbraw/zinc/00/42/27/586004227.db2.gz LBXZJAAKGWIGGN-DTORHVGOSA-N 1 2 246.332 0.458 20 0 BCADLO C[S@](=O)CC[NH+]1CCN(CC2(F)CC2)CC1 ZINC000792830040 586005599 /nfs/dbraw/zinc/00/55/99/586005599.db2.gz UXSPXVSLTANRCF-INIZCTEOSA-N 1 2 248.367 0.485 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1OCCO1 ZINC000793075036 586009569 /nfs/dbraw/zinc/00/95/69/586009569.db2.gz WFVUJHCVOKZZQG-SECBINFHSA-N 1 2 239.275 0.151 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCOC1 ZINC000793252034 586015042 /nfs/dbraw/zinc/01/50/42/586015042.db2.gz WCBMJTJWJIUYKT-SNVBAGLBSA-N 1 2 238.287 0.932 20 0 BCADLO C[C@H]1C[C@H](C(=O)OCCc2c[nH+]cn2C)CO1 ZINC000793254832 586015446 /nfs/dbraw/zinc/01/54/46/586015446.db2.gz WYFBRIYUXMWQTO-UWVGGRQHSA-N 1 2 238.287 0.931 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CC1OCCO1 ZINC000793463431 586020561 /nfs/dbraw/zinc/02/05/61/586020561.db2.gz ZXYZCOMSFXQGTR-UHFFFAOYSA-N 1 2 222.244 0.513 20 0 BCADLO O=C(C[C@@H]1CCCOC1)NCc1[nH]cc[nH+]1 ZINC000793476746 586020945 /nfs/dbraw/zinc/02/09/45/586020945.db2.gz GSXNPFZIFAMYFM-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)CC1OCCO1 ZINC000793598667 586023746 /nfs/dbraw/zinc/02/37/46/586023746.db2.gz GCGAQOWKNXOIDY-UHFFFAOYSA-N 1 2 225.248 0.097 20 0 BCADLO O=c1sccn1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793625345 586024449 /nfs/dbraw/zinc/02/44/49/586024449.db2.gz ZNGUGMCLETXUGQ-JGVFFNPUSA-N 1 2 212.274 0.340 20 0 BCADLO O=c1sccn1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793625345 586024450 /nfs/dbraw/zinc/02/44/50/586024450.db2.gz ZNGUGMCLETXUGQ-JGVFFNPUSA-N 1 2 212.274 0.340 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)c1ccco1 ZINC000793661906 586024697 /nfs/dbraw/zinc/02/46/97/586024697.db2.gz DZWZVAAURABCCV-JTQLQIEISA-N 1 2 249.270 0.785 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)c1ccco1 ZINC000793661906 586024698 /nfs/dbraw/zinc/02/46/98/586024698.db2.gz DZWZVAAURABCCV-JTQLQIEISA-N 1 2 249.270 0.785 20 0 BCADLO CC[C@H](NC(=O)CC1OCCO1)c1[nH]cc[nH+]1 ZINC000793827514 586027578 /nfs/dbraw/zinc/02/75/78/586027578.db2.gz AVDMCNUZLPTUFL-QMMMGPOBSA-N 1 2 239.275 0.740 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nnc(C)[nH]2)CCCC1 ZINC000794414030 586038997 /nfs/dbraw/zinc/03/89/97/586038997.db2.gz ZLFHZAROSGBANW-UHFFFAOYSA-N 1 2 237.307 0.262 20 0 BCADLO CC[C@](C)([NH2+]CC[C@@H]1CCOC1=O)C(=O)OC ZINC000794454348 586040006 /nfs/dbraw/zinc/04/00/06/586040006.db2.gz XJUUSPFQQGBYSR-SKDRFNHKSA-N 1 2 243.303 0.871 20 0 BCADLO CC[C@](C)([NH2+]CC[C@H]1CCOC1=O)C(=O)OC ZINC000794454346 586040149 /nfs/dbraw/zinc/04/01/49/586040149.db2.gz XJUUSPFQQGBYSR-CABZTGNLSA-N 1 2 243.303 0.871 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794831732 586049647 /nfs/dbraw/zinc/04/96/47/586049647.db2.gz IOIQUNATMAFSBJ-BRPSZJMVSA-N 1 2 241.722 0.744 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794831732 586049649 /nfs/dbraw/zinc/04/96/49/586049649.db2.gz IOIQUNATMAFSBJ-BRPSZJMVSA-N 1 2 241.722 0.744 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c[nH]cn3)C[C@@H]21 ZINC000794970123 586059499 /nfs/dbraw/zinc/05/94/99/586059499.db2.gz WAQUWQUMPSPYMY-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c[nH]cn3)C[C@@H]21 ZINC000794970123 586059500 /nfs/dbraw/zinc/05/95/00/586059500.db2.gz WAQUWQUMPSPYMY-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cnc[nH]3)C[C@@H]21 ZINC000794970123 586059502 /nfs/dbraw/zinc/05/95/02/586059502.db2.gz WAQUWQUMPSPYMY-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cnc[nH]3)C[C@@H]21 ZINC000794970123 586059505 /nfs/dbraw/zinc/05/95/05/586059505.db2.gz WAQUWQUMPSPYMY-MYJAWHEDSA-N 1 2 221.260 0.261 20 0 BCADLO Cc1ncc(CO[NH+]=C(N)[C@H]2CCCO2)cn1 ZINC000795228809 586072891 /nfs/dbraw/zinc/07/28/91/586072891.db2.gz CDIOWGIHYWNXNL-SNVBAGLBSA-N 1 2 236.275 0.962 20 0 BCADLO CO[C@H]1CC[N@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795441106 586079050 /nfs/dbraw/zinc/07/90/50/586079050.db2.gz VRNLRECUKIXCJN-BDAKNGLRSA-N 1 2 248.273 0.778 20 0 BCADLO CO[C@H]1CC[N@@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795441106 586079052 /nfs/dbraw/zinc/07/90/52/586079052.db2.gz VRNLRECUKIXCJN-BDAKNGLRSA-N 1 2 248.273 0.778 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CCc3nc[nH]c3C2)O1 ZINC000859305476 589029967 /nfs/dbraw/zinc/02/99/67/589029967.db2.gz GVNPQIYAUMSZKK-SECBINFHSA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CCc3nc[nH]c3C2)O1 ZINC000859305476 589029969 /nfs/dbraw/zinc/02/99/69/589029969.db2.gz GVNPQIYAUMSZKK-SECBINFHSA-N 1 2 237.303 0.919 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1CCC(O)CC1 ZINC000795646974 586090142 /nfs/dbraw/zinc/09/01/42/586090142.db2.gz XLRFJTJEJDAXDO-UHFFFAOYSA-N 1 2 238.287 0.977 20 0 BCADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCF)C1 ZINC000796130233 586097843 /nfs/dbraw/zinc/09/78/43/586097843.db2.gz XODGAEBLFVWXOW-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCF)C1 ZINC000796130233 586097844 /nfs/dbraw/zinc/09/78/44/586097844.db2.gz XODGAEBLFVWXOW-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000796197635 586098563 /nfs/dbraw/zinc/09/85/63/586098563.db2.gz ORWBHIDHUSLDGY-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000796197635 586098564 /nfs/dbraw/zinc/09/85/64/586098564.db2.gz ORWBHIDHUSLDGY-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796339895 586101108 /nfs/dbraw/zinc/10/11/08/586101108.db2.gz AOVKFPGPUGSRDA-GHMZBOCLSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796339895 586101109 /nfs/dbraw/zinc/10/11/09/586101109.db2.gz AOVKFPGPUGSRDA-GHMZBOCLSA-N 1 2 243.303 0.239 20 0 BCADLO CCOC(C[N@H+](C)[C@H](C)C(=O)OC)OCC ZINC000796497143 586105224 /nfs/dbraw/zinc/10/52/24/586105224.db2.gz PLNZAGQNERTLQK-SECBINFHSA-N 1 2 233.308 0.879 20 0 BCADLO CCOC(C[N@@H+](C)[C@H](C)C(=O)OC)OCC ZINC000796497143 586105225 /nfs/dbraw/zinc/10/52/25/586105225.db2.gz PLNZAGQNERTLQK-SECBINFHSA-N 1 2 233.308 0.879 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@]2(CCOC2)O1 ZINC000796555909 586106741 /nfs/dbraw/zinc/10/67/41/586106741.db2.gz MSJKUPZBDHVZGY-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@]2(CCOC2)O1 ZINC000796555909 586106742 /nfs/dbraw/zinc/10/67/42/586106742.db2.gz MSJKUPZBDHVZGY-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO COC(C[N@@H+]1CCOC[C@@H]1CC(F)F)OC ZINC000796578865 586107654 /nfs/dbraw/zinc/10/76/54/586107654.db2.gz LWHGMCRORBIIBI-QMMMGPOBSA-N 1 2 239.262 0.961 20 0 BCADLO COC(C[N@H+]1CCOC[C@@H]1CC(F)F)OC ZINC000796578865 586107655 /nfs/dbraw/zinc/10/76/55/586107655.db2.gz LWHGMCRORBIIBI-QMMMGPOBSA-N 1 2 239.262 0.961 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@@H](C)OC ZINC000796638326 586109009 /nfs/dbraw/zinc/10/90/09/586109009.db2.gz DKXQNBMOJLNECH-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@@H](C)OC ZINC000796638326 586109010 /nfs/dbraw/zinc/10/90/10/586109010.db2.gz DKXQNBMOJLNECH-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CC2OCCO2)n1 ZINC000796695945 586110220 /nfs/dbraw/zinc/11/02/20/586110220.db2.gz QTSHTPJXMDOHSY-SECBINFHSA-N 1 2 239.275 0.888 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CC2OCCO2)n1 ZINC000796695945 586110221 /nfs/dbraw/zinc/11/02/21/586110221.db2.gz QTSHTPJXMDOHSY-SECBINFHSA-N 1 2 239.275 0.888 20 0 BCADLO CO[C@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000796745709 586111362 /nfs/dbraw/zinc/11/13/62/586111362.db2.gz QOLLGSIXOLILNS-JTQLQIEISA-N 1 2 224.260 0.888 20 0 BCADLO CC1=C[C@H](C)C[N@H+](Cn2ncn(C)c2=O)C1 ZINC000797416620 586126684 /nfs/dbraw/zinc/12/66/84/586126684.db2.gz JENCOOLNLRXONZ-VIFPVBQESA-N 1 2 222.292 0.437 20 0 BCADLO CC1=C[C@H](C)C[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000797416620 586126685 /nfs/dbraw/zinc/12/66/85/586126685.db2.gz JENCOOLNLRXONZ-VIFPVBQESA-N 1 2 222.292 0.437 20 0 BCADLO CC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000798194173 586139263 /nfs/dbraw/zinc/13/92/63/586139263.db2.gz WCWUVUBVASHWPT-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000798194173 586139264 /nfs/dbraw/zinc/13/92/64/586139264.db2.gz WCWUVUBVASHWPT-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000798195002 586139631 /nfs/dbraw/zinc/13/96/31/586139631.db2.gz KUULXMRADSFZJJ-MGPLVRAMSA-N 1 2 241.360 0.968 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000798195002 586139632 /nfs/dbraw/zinc/13/96/32/586139632.db2.gz KUULXMRADSFZJJ-MGPLVRAMSA-N 1 2 241.360 0.968 20 0 BCADLO C[S@](=O)CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000798196223 586139762 /nfs/dbraw/zinc/13/97/62/586139762.db2.gz ISBHYSLPSUXVGE-PUTJDCORSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000798196223 586139763 /nfs/dbraw/zinc/13/97/63/586139763.db2.gz ISBHYSLPSUXVGE-PUTJDCORSA-N 1 2 244.360 0.108 20 0 BCADLO COCCn1ccc(NCc2cn(C)c[nH+]2)n1 ZINC000798227478 586141257 /nfs/dbraw/zinc/14/12/57/586141257.db2.gz ICPFTZYKZDWDKA-UHFFFAOYSA-N 1 2 235.291 0.875 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)CC(F)F ZINC000799119193 586159417 /nfs/dbraw/zinc/15/94/17/586159417.db2.gz ATINEQCKLSWJAT-UHFFFAOYSA-N 1 2 210.224 0.593 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)CC(F)F ZINC000799119193 586159418 /nfs/dbraw/zinc/15/94/18/586159418.db2.gz ATINEQCKLSWJAT-UHFFFAOYSA-N 1 2 210.224 0.593 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799161245 586162911 /nfs/dbraw/zinc/16/29/11/586162911.db2.gz QPJAAOHQZHQPEO-UWVGGRQHSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799161245 586162913 /nfs/dbraw/zinc/16/29/13/586162913.db2.gz QPJAAOHQZHQPEO-UWVGGRQHSA-N 1 2 240.303 0.148 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194253 586166172 /nfs/dbraw/zinc/16/61/72/586166172.db2.gz RICHRJDTSIQYRY-SNVBAGLBSA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194253 586166173 /nfs/dbraw/zinc/16/61/73/586166173.db2.gz RICHRJDTSIQYRY-SNVBAGLBSA-N 1 2 244.302 0.595 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](c3ccccn3)C2)[nH]1 ZINC000799194288 586166680 /nfs/dbraw/zinc/16/66/80/586166680.db2.gz FGKNLFWOVJPUNJ-VIFPVBQESA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](c3ccccn3)C2)[nH]1 ZINC000799194288 586166681 /nfs/dbraw/zinc/16/66/81/586166681.db2.gz FGKNLFWOVJPUNJ-VIFPVBQESA-N 1 2 245.286 0.895 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)CCCO ZINC000799364330 586174159 /nfs/dbraw/zinc/17/41/59/586174159.db2.gz DQEQWGWKSVXSBE-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)CCCO ZINC000799364330 586174161 /nfs/dbraw/zinc/17/41/61/586174161.db2.gz DQEQWGWKSVXSBE-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO Fc1cc(C[N@@H+]2CCn3nncc3C2)ccn1 ZINC000859336879 589032527 /nfs/dbraw/zinc/03/25/27/589032527.db2.gz UFMPCHSRTKJBMV-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cc(C[N@H+]2CCn3nncc3C2)ccn1 ZINC000859336879 589032528 /nfs/dbraw/zinc/03/25/28/589032528.db2.gz UFMPCHSRTKJBMV-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCC(=O)N1 ZINC000800244741 586206668 /nfs/dbraw/zinc/20/66/68/586206668.db2.gz JHAPFRBZQXQDLH-SECBINFHSA-N 1 2 237.259 0.095 20 0 BCADLO Cc1nn[nH]c1C(=O)NCCNc1cccc[nH+]1 ZINC000800688690 586226994 /nfs/dbraw/zinc/22/69/94/586226994.db2.gz FRIKSCRAZPWHCY-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000800868220 586235197 /nfs/dbraw/zinc/23/51/97/586235197.db2.gz WHJYNXVTUOWGKV-ZETCQYMHSA-N 1 2 231.252 0.018 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@H]1CNC(=O)O1 ZINC000801269805 586250964 /nfs/dbraw/zinc/25/09/64/586250964.db2.gz LSKPOWMFQBYRMP-BDAKNGLRSA-N 1 2 242.275 0.122 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@H]1CNC(=O)O1 ZINC000801269805 586250966 /nfs/dbraw/zinc/25/09/66/586250966.db2.gz LSKPOWMFQBYRMP-BDAKNGLRSA-N 1 2 242.275 0.122 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563752 586263671 /nfs/dbraw/zinc/26/36/71/586263671.db2.gz TZZHIYGFHZICJC-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CCNC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563752 586263673 /nfs/dbraw/zinc/26/36/73/586263673.db2.gz TZZHIYGFHZICJC-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO FC(F)[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000801566266 586264081 /nfs/dbraw/zinc/26/40/81/586264081.db2.gz LRTYOFPJZNAUSG-VIFPVBQESA-N 1 2 231.246 0.849 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000801566266 586264083 /nfs/dbraw/zinc/26/40/83/586264083.db2.gz LRTYOFPJZNAUSG-VIFPVBQESA-N 1 2 231.246 0.849 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@@H](C(F)F)C1 ZINC000801567163 586264220 /nfs/dbraw/zinc/26/42/20/586264220.db2.gz RFIVSTXPRSICOF-MRVPVSSYSA-N 1 2 231.246 0.886 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801955355 586283928 /nfs/dbraw/zinc/28/39/28/586283928.db2.gz RFCAOPMBGYPHOQ-SNVBAGLBSA-N 1 2 245.273 0.929 20 0 BCADLO Cn1nccc1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801955355 586283929 /nfs/dbraw/zinc/28/39/29/586283929.db2.gz RFCAOPMBGYPHOQ-SNVBAGLBSA-N 1 2 245.273 0.929 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802012749 586286136 /nfs/dbraw/zinc/28/61/36/586286136.db2.gz WPYGELHUHMEDIT-BWLWAFFFSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@@](F)(CO)C1 ZINC000802012749 586286137 /nfs/dbraw/zinc/28/61/37/586286137.db2.gz WPYGELHUHMEDIT-BWLWAFFFSA-N 1 2 231.267 0.512 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1=CCOCC1 ZINC000802229281 586296768 /nfs/dbraw/zinc/29/67/68/586296768.db2.gz YAQREMBBCADVER-UHFFFAOYSA-N 1 2 222.244 0.773 20 0 BCADLO C[C@@H]1C[C@H](C(=O)O[C@@H]2CC[N@H+](CCF)C2)CO1 ZINC000802232056 586297982 /nfs/dbraw/zinc/29/79/82/586297982.db2.gz PKSSOLGIEDSXGH-OUAUKWLOSA-N 1 2 245.294 0.998 20 0 BCADLO C[C@@H]1C[C@H](C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CO1 ZINC000802232056 586297985 /nfs/dbraw/zinc/29/79/85/586297985.db2.gz PKSSOLGIEDSXGH-OUAUKWLOSA-N 1 2 245.294 0.998 20 0 BCADLO O=C(COCC1CC1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802237893 586298277 /nfs/dbraw/zinc/29/82/77/586298277.db2.gz BKNWVDPUQDAFNH-LLVKDONJSA-N 1 2 245.294 1.000 20 0 BCADLO O=C(COCC1CC1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802237893 586298279 /nfs/dbraw/zinc/29/82/79/586298279.db2.gz BKNWVDPUQDAFNH-LLVKDONJSA-N 1 2 245.294 1.000 20 0 BCADLO CCC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)COC1 ZINC000802239642 586299318 /nfs/dbraw/zinc/29/93/18/586299318.db2.gz WSIABJODXSUIMY-SNVBAGLBSA-N 1 2 245.294 1.000 20 0 BCADLO CCC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)COC1 ZINC000802239642 586299319 /nfs/dbraw/zinc/29/93/19/586299319.db2.gz WSIABJODXSUIMY-SNVBAGLBSA-N 1 2 245.294 1.000 20 0 BCADLO Cn1nccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802243061 586299331 /nfs/dbraw/zinc/29/93/31/586299331.db2.gz WWASEFBYHXQRKN-VIFPVBQESA-N 1 2 241.266 0.621 20 0 BCADLO Cn1nccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802243061 586299332 /nfs/dbraw/zinc/29/93/32/586299332.db2.gz WWASEFBYHXQRKN-VIFPVBQESA-N 1 2 241.266 0.621 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000839960625 586300567 /nfs/dbraw/zinc/30/05/67/586300567.db2.gz QYFRINCVWFDINN-GMTAPVOTSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000839960625 586300570 /nfs/dbraw/zinc/30/05/70/586300570.db2.gz QYFRINCVWFDINN-GMTAPVOTSA-N 1 2 226.320 0.922 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H]2C[C@H]2C)C1 ZINC000859571062 589045855 /nfs/dbraw/zinc/04/58/55/589045855.db2.gz MVPYFAZGKWZGME-VWYCJHECSA-N 1 2 227.304 0.906 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H]2C[C@H]2C)C1 ZINC000859571062 589045857 /nfs/dbraw/zinc/04/58/57/589045857.db2.gz MVPYFAZGKWZGME-VWYCJHECSA-N 1 2 227.304 0.906 20 0 BCADLO CCOCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495307 586361943 /nfs/dbraw/zinc/36/19/43/586361943.db2.gz NMXLLVSVHUJYJZ-NSHDSACASA-N 1 2 245.319 0.721 20 0 BCADLO C/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336990 586390982 /nfs/dbraw/zinc/39/09/82/586390982.db2.gz SUIZNYIHRPRIHL-GKQMSVHHSA-N 1 2 205.261 0.890 20 0 BCADLO CCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)COC1 ZINC000804334490 586391113 /nfs/dbraw/zinc/39/11/13/586391113.db2.gz HVFPQLHUOKTAJI-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO COC/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336903 586391514 /nfs/dbraw/zinc/39/15/14/586391514.db2.gz RVDKOGSFOXKZBM-ZMWSMAPVSA-N 1 2 235.287 0.517 20 0 BCADLO COC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804437522 586394735 /nfs/dbraw/zinc/39/47/35/586394735.db2.gz DCPSMJWSCSDZTE-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000840049142 586397998 /nfs/dbraw/zinc/39/79/98/586397998.db2.gz RQXAPTSXYPQVRL-ZYHUDNBSSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000840049142 586398000 /nfs/dbraw/zinc/39/80/00/586398000.db2.gz RQXAPTSXYPQVRL-ZYHUDNBSSA-N 1 2 238.331 0.923 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000804584947 586401517 /nfs/dbraw/zinc/40/15/17/586401517.db2.gz SNHALTHIINSDLH-JTQLQIEISA-N 1 2 244.335 0.753 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000804584947 586401518 /nfs/dbraw/zinc/40/15/18/586401518.db2.gz SNHALTHIINSDLH-JTQLQIEISA-N 1 2 244.335 0.753 20 0 BCADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC000806167448 586406666 /nfs/dbraw/zinc/40/66/66/586406666.db2.gz WJGZIDATQIFRDY-VIFPVBQESA-N 1 2 234.307 0.708 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806553905 586413721 /nfs/dbraw/zinc/41/37/21/586413721.db2.gz CAAIRRJZKICAQM-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO CCc1cc(CNC(=O)CCc2[nH]cc[nH+]2)[nH]n1 ZINC000806845789 586419345 /nfs/dbraw/zinc/41/93/45/586419345.db2.gz RPZRQDFOJHBULJ-UHFFFAOYSA-N 1 2 247.302 0.944 20 0 BCADLO CCc1cc(CNC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000806845789 586419347 /nfs/dbraw/zinc/41/93/47/586419347.db2.gz RPZRQDFOJHBULJ-UHFFFAOYSA-N 1 2 247.302 0.944 20 0 BCADLO CCc1cc(CNC(=O)Cc2c[nH+]cn2C)[nH]n1 ZINC000806845027 586419639 /nfs/dbraw/zinc/41/96/39/586419639.db2.gz GLQDMSGXXZARMJ-UHFFFAOYSA-N 1 2 247.302 0.565 20 0 BCADLO CCc1cc(CNC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000806845027 586419641 /nfs/dbraw/zinc/41/96/41/586419641.db2.gz GLQDMSGXXZARMJ-UHFFFAOYSA-N 1 2 247.302 0.565 20 0 BCADLO O=C(COCc1ccccn1)NCc1c[nH+]c[nH]1 ZINC000806897727 586420371 /nfs/dbraw/zinc/42/03/71/586420371.db2.gz OQKJQWQUPHTPNL-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO O=C(COCc1ccccn1)NCc1c[nH]c[nH+]1 ZINC000806897727 586420372 /nfs/dbraw/zinc/42/03/72/586420372.db2.gz OQKJQWQUPHTPNL-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000807004276 586421390 /nfs/dbraw/zinc/42/13/90/586421390.db2.gz JXGVGVCRGQWMEX-SNVBAGLBSA-N 1 2 223.276 0.210 20 0 BCADLO CO[C@@H](C)C[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840081285 586421665 /nfs/dbraw/zinc/42/16/65/586421665.db2.gz RZKAQPJLNAMPHB-JTQLQIEISA-N 1 2 249.314 0.962 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840081285 586421668 /nfs/dbraw/zinc/42/16/68/586421668.db2.gz RZKAQPJLNAMPHB-JTQLQIEISA-N 1 2 249.314 0.962 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCc2ncccc21 ZINC000807110141 586423697 /nfs/dbraw/zinc/42/36/97/586423697.db2.gz QFVGTNXPEIBWNG-UHFFFAOYSA-N 1 2 242.282 0.947 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NOCC(F)F ZINC000807246812 586428287 /nfs/dbraw/zinc/42/82/87/586428287.db2.gz USTZYOQIHMZLJS-UHFFFAOYSA-N 1 2 219.191 0.655 20 0 BCADLO CC[NH2+]Cc1noc(CCNC(=O)OCC)n1 ZINC000843145386 586445116 /nfs/dbraw/zinc/44/51/16/586445116.db2.gz JUCKOJHOPSXUBZ-UHFFFAOYSA-N 1 2 242.279 0.468 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@H+]1CC[C@H](F)C1 ZINC000840114701 586448822 /nfs/dbraw/zinc/44/88/22/586448822.db2.gz QCXONNLJNHUPOU-AEJSXWLSSA-N 1 2 212.268 0.999 20 0 BCADLO O=C1[C@@H]2CCC[C@@H]2N1C[N@@H+]1CC[C@H](F)C1 ZINC000840114701 586448823 /nfs/dbraw/zinc/44/88/23/586448823.db2.gz QCXONNLJNHUPOU-AEJSXWLSSA-N 1 2 212.268 0.999 20 0 BCADLO CNC(=O)[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000808048409 586460543 /nfs/dbraw/zinc/46/05/43/586460543.db2.gz SIQLPIMJIYVGRL-NSHDSACASA-N 1 2 245.282 0.754 20 0 BCADLO CCC[N@H+](CC)Cn1nnn(C2CC2)c1=O ZINC000808149505 586464522 /nfs/dbraw/zinc/46/45/22/586464522.db2.gz OWIQLHPFTNUHBG-UHFFFAOYSA-N 1 2 225.296 0.464 20 0 BCADLO CCC[N@@H+](CC)Cn1nnn(C2CC2)c1=O ZINC000808149505 586464523 /nfs/dbraw/zinc/46/45/23/586464523.db2.gz OWIQLHPFTNUHBG-UHFFFAOYSA-N 1 2 225.296 0.464 20 0 BCADLO C[C@@H]1C[NH+](Cn2nnn(C3CC3)c2=O)C[C@H]1C ZINC000808166089 586466134 /nfs/dbraw/zinc/46/61/34/586466134.db2.gz VNCHGWOVPPBLAN-RKDXNWHRSA-N 1 2 237.307 0.320 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000808385388 586470605 /nfs/dbraw/zinc/47/06/05/586470605.db2.gz PKXYDXBXHRCJOA-VHSXEESVSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H](NCc1cn(C)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000808396600 586470834 /nfs/dbraw/zinc/47/08/34/586470834.db2.gz SFYAEWDXBFXZFS-ZYHUDNBSSA-N 1 2 238.335 0.229 20 0 BCADLO C[C@@H](NCc1cn(C)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000808396600 586470836 /nfs/dbraw/zinc/47/08/36/586470836.db2.gz SFYAEWDXBFXZFS-ZYHUDNBSSA-N 1 2 238.335 0.229 20 0 BCADLO C[C@H](NCc1cn(C)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000808396597 586470905 /nfs/dbraw/zinc/47/09/05/586470905.db2.gz SFYAEWDXBFXZFS-CMPLNLGQSA-N 1 2 238.335 0.229 20 0 BCADLO C[C@H](NCc1cn(C)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000808396597 586470906 /nfs/dbraw/zinc/47/09/06/586470906.db2.gz SFYAEWDXBFXZFS-CMPLNLGQSA-N 1 2 238.335 0.229 20 0 BCADLO CC(F)(F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000808470711 586475563 /nfs/dbraw/zinc/47/55/63/586475563.db2.gz GMZNDUAVCOBLCS-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO Cn1cc(C(=O)OCCCn2cc[nH+]c2)nn1 ZINC000808661167 586481459 /nfs/dbraw/zinc/48/14/59/586481459.db2.gz NIQORRDNKKSVHL-UHFFFAOYSA-N 1 2 235.247 0.259 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1nccn1C ZINC000808742294 586486322 /nfs/dbraw/zinc/48/63/22/586486322.db2.gz OHYYVWZVPYPNIY-UHFFFAOYSA-N 1 2 240.307 0.262 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1nccn1C ZINC000808742294 586486323 /nfs/dbraw/zinc/48/63/23/586486323.db2.gz OHYYVWZVPYPNIY-UHFFFAOYSA-N 1 2 240.307 0.262 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751216 586487779 /nfs/dbraw/zinc/48/77/79/586487779.db2.gz UFHXSPQQYQABKK-MNOVXSKESA-N 1 2 245.319 0.005 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751216 586487780 /nfs/dbraw/zinc/48/77/80/586487780.db2.gz UFHXSPQQYQABKK-MNOVXSKESA-N 1 2 245.319 0.005 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808751637 586488034 /nfs/dbraw/zinc/48/80/34/586488034.db2.gz FYQKYULBQGIEMP-HBNTYKKESA-N 1 2 245.319 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808751637 586488035 /nfs/dbraw/zinc/48/80/35/586488035.db2.gz FYQKYULBQGIEMP-HBNTYKKESA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808750756 586488266 /nfs/dbraw/zinc/48/82/66/586488266.db2.gz STHITPXUTGAZHU-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808750756 586488267 /nfs/dbraw/zinc/48/82/67/586488267.db2.gz STHITPXUTGAZHU-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO OC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000808752050 586488280 /nfs/dbraw/zinc/48/82/80/586488280.db2.gz VOTIGOYHHAPYPS-XQPGJMDOSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000808752050 586488281 /nfs/dbraw/zinc/48/82/81/586488281.db2.gz VOTIGOYHHAPYPS-XQPGJMDOSA-N 1 2 240.130 0.981 20 0 BCADLO Cn1nncc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000809128712 586498309 /nfs/dbraw/zinc/49/83/09/586498309.db2.gz CCPFFZOQINQPNB-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO Cn1nncc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000809128712 586498312 /nfs/dbraw/zinc/49/83/12/586498312.db2.gz CCPFFZOQINQPNB-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO CN1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000809565691 586507370 /nfs/dbraw/zinc/50/73/70/586507370.db2.gz ORUMUFVFNNNGGA-NSHDSACASA-N 1 2 217.272 0.628 20 0 BCADLO CN1CC[C@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000809565691 586507372 /nfs/dbraw/zinc/50/73/72/586507372.db2.gz ORUMUFVFNNNGGA-NSHDSACASA-N 1 2 217.272 0.628 20 0 BCADLO Cc1nonc1C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000809745075 586516439 /nfs/dbraw/zinc/51/64/39/586516439.db2.gz LOFOXQFPDAKGCU-PRHODGIISA-N 1 2 236.319 0.950 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)C[C@@H]1CCCO1 ZINC000809937746 586524443 /nfs/dbraw/zinc/52/44/43/586524443.db2.gz GEBQNSDCIAPVCG-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)C[C@@H]1CCCO1 ZINC000809937746 586524444 /nfs/dbraw/zinc/52/44/44/586524444.db2.gz GEBQNSDCIAPVCG-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000809965739 586526676 /nfs/dbraw/zinc/52/66/76/586526676.db2.gz ORUXQSSTCVEBSL-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ncc(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000809965739 586526679 /nfs/dbraw/zinc/52/66/79/586526679.db2.gz ORUXQSSTCVEBSL-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC000809973808 586528280 /nfs/dbraw/zinc/52/82/80/586528280.db2.gz AWCSARWBTJXCAZ-ZDUSSCGKSA-N 1 2 246.314 0.947 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000810011466 586531182 /nfs/dbraw/zinc/53/11/82/586531182.db2.gz VVQCCNNDWPNCMS-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000810011466 586531183 /nfs/dbraw/zinc/53/11/83/586531183.db2.gz VVQCCNNDWPNCMS-QMMMGPOBSA-N 1 2 232.234 0.629 20 0 BCADLO C[C@]1([NH2+]CCOC[C@@H]2CCCO2)CCOC1=O ZINC000810095667 586533607 /nfs/dbraw/zinc/53/36/07/586533607.db2.gz STVGLSBEDQYJEM-JQWIXIFHSA-N 1 2 243.303 0.477 20 0 BCADLO COC(=O)CC1(C[NH2+][C@]2(C)CCOC2=O)CC1 ZINC000810100024 586534251 /nfs/dbraw/zinc/53/42/51/586534251.db2.gz ZWDDMBOSVJINPS-LLVKDONJSA-N 1 2 241.287 0.625 20 0 BCADLO CN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810467671 586539689 /nfs/dbraw/zinc/53/96/89/586539689.db2.gz XNQGBGNZZLIUMA-ZCFIWIBFSA-N 1 2 230.205 0.907 20 0 BCADLO CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810467671 586539690 /nfs/dbraw/zinc/53/96/90/586539690.db2.gz XNQGBGNZZLIUMA-ZCFIWIBFSA-N 1 2 230.205 0.907 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH+]cn2C)nn1 ZINC000810755138 586546219 /nfs/dbraw/zinc/54/62/19/586546219.db2.gz LRTBAWDJPDENPM-UHFFFAOYSA-N 1 2 248.290 0.352 20 0 BCADLO Cn1cc(/C=C\C(=O)NCc2c[nH+]cn2C)cn1 ZINC000810754337 586546281 /nfs/dbraw/zinc/54/62/81/586546281.db2.gz YIXULRZCRPQSTG-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO S=C(NC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811713303 586566117 /nfs/dbraw/zinc/56/61/17/586566117.db2.gz YYYIYXGDTLGCIK-QMMMGPOBSA-N 1 2 236.344 0.894 20 0 BCADLO S=C(NC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811713303 586566118 /nfs/dbraw/zinc/56/61/18/586566118.db2.gz YYYIYXGDTLGCIK-QMMMGPOBSA-N 1 2 236.344 0.894 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOC/C=C\Cl ZINC000811925438 586568591 /nfs/dbraw/zinc/56/85/91/586568591.db2.gz NSVCIWKGBZZRRQ-IHWYPQMZSA-N 1 2 244.682 0.903 20 0 BCADLO CC[N@H+](Cn1ccsc1=O)[C@H]1CCOC1 ZINC000812297258 586572656 /nfs/dbraw/zinc/57/26/56/586572656.db2.gz YPJDJBWMLMWUST-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CC[N@@H+](Cn1ccsc1=O)[C@H]1CCOC1 ZINC000812297258 586572657 /nfs/dbraw/zinc/57/26/57/586572657.db2.gz YPJDJBWMLMWUST-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CC[N@H+](Cn1ccsc1=O)[C@@H]1CCOC1 ZINC000812297257 586572850 /nfs/dbraw/zinc/57/28/50/586572850.db2.gz YPJDJBWMLMWUST-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO CC[N@@H+](Cn1ccsc1=O)[C@@H]1CCOC1 ZINC000812297257 586572851 /nfs/dbraw/zinc/57/28/51/586572851.db2.gz YPJDJBWMLMWUST-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO CCON(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000812555117 586579203 /nfs/dbraw/zinc/57/92/03/586579203.db2.gz ODPJCMLEWDFFFA-MRVPVSSYSA-N 1 2 238.291 0.860 20 0 BCADLO CCON(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000812555117 586579204 /nfs/dbraw/zinc/57/92/04/586579204.db2.gz ODPJCMLEWDFFFA-MRVPVSSYSA-N 1 2 238.291 0.860 20 0 BCADLO CC[C@H](COC)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333696 586600520 /nfs/dbraw/zinc/60/05/20/586600520.db2.gz UGZYSLKSRFIHKA-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO CC[C@H](COC)[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333696 586600521 /nfs/dbraw/zinc/60/05/21/586600521.db2.gz UGZYSLKSRFIHKA-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(c3cccc[nH+]3)C[C@@H]21 ZINC000813624725 586604740 /nfs/dbraw/zinc/60/47/40/586604740.db2.gz HCCOSTSSLRPORC-JZYVYDRUSA-N 1 2 218.256 0.937 20 0 BCADLO C[C@@H]1CN(C(=O)COc2cc[nH+]cc2)CCO1 ZINC000814266197 586620957 /nfs/dbraw/zinc/62/09/57/586620957.db2.gz XZBHHLCCFLBOEU-SNVBAGLBSA-N 1 2 236.271 0.708 20 0 BCADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CCF)C1 ZINC000814643191 586626909 /nfs/dbraw/zinc/62/69/09/586626909.db2.gz OMTALMXEWMHWJC-SECBINFHSA-N 1 2 223.313 0.713 20 0 BCADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CCF)C1 ZINC000814643191 586626911 /nfs/dbraw/zinc/62/69/11/586626911.db2.gz OMTALMXEWMHWJC-SECBINFHSA-N 1 2 223.313 0.713 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CC[C@H]1COC ZINC000815126889 586668122 /nfs/dbraw/zinc/66/81/22/586668122.db2.gz IGVHQQYJCUAGGV-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CC[C@H]1COC ZINC000815126889 586668123 /nfs/dbraw/zinc/66/81/23/586668123.db2.gz IGVHQQYJCUAGGV-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1oc(C)nc1C ZINC000815135491 586669784 /nfs/dbraw/zinc/66/97/84/586669784.db2.gz CHKDAVYJUSNKKE-VIFPVBQESA-N 1 2 241.291 0.224 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1oc(C)nc1C ZINC000815135491 586669787 /nfs/dbraw/zinc/66/97/87/586669787.db2.gz CHKDAVYJUSNKKE-VIFPVBQESA-N 1 2 241.291 0.224 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000815563366 586687866 /nfs/dbraw/zinc/68/78/66/586687866.db2.gz ZWNMDSYIQIVBCK-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO O=Cc1c[nH]c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000815615879 586689370 /nfs/dbraw/zinc/68/93/70/586689370.db2.gz ZTFCTBNPTYCPIG-UHFFFAOYSA-N 1 2 244.254 0.721 20 0 BCADLO CCn1nc(C)c(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000815881220 586695878 /nfs/dbraw/zinc/69/58/78/586695878.db2.gz HSYPNFRRVGLUEV-UHFFFAOYSA-N 1 2 247.258 0.381 20 0 BCADLO CCn1nc(C)c(C(=O)OCc2c[nH+]cn2C)n1 ZINC000815967623 586700317 /nfs/dbraw/zinc/70/03/17/586700317.db2.gz HNRYLDJMZVGMRW-UHFFFAOYSA-N 1 2 249.274 0.697 20 0 BCADLO Cc1ccnn1CC(=O)NCc1[nH]c[nH+]c1C ZINC000859798617 589061438 /nfs/dbraw/zinc/06/14/38/589061438.db2.gz DDBIHBXQHJSIRS-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO CC(=O)OCCNC(=O)CCCn1cc[nH+]c1 ZINC000816478433 586735165 /nfs/dbraw/zinc/73/51/65/586735165.db2.gz GHQGLIUVAHRZCH-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO Cc1nocc1C[N@@H+]1CCCNC(=O)C1 ZINC000816497241 586736952 /nfs/dbraw/zinc/73/69/52/586736952.db2.gz SIXJLVVDGVYTLX-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1nocc1C[N@H+]1CCCNC(=O)C1 ZINC000816497241 586736953 /nfs/dbraw/zinc/73/69/53/586736953.db2.gz SIXJLVVDGVYTLX-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1nocc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000816502777 586737515 /nfs/dbraw/zinc/73/75/15/586737515.db2.gz PXYIBQROESRWTK-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1nocc1C[N@H+]1CCC2(C1)OCCO2 ZINC000816502777 586737516 /nfs/dbraw/zinc/73/75/16/586737516.db2.gz PXYIBQROESRWTK-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1CCO ZINC000816612667 586744377 /nfs/dbraw/zinc/74/43/77/586744377.db2.gz VSKFXJIEBRVAQR-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@H]1CCO ZINC000816612667 586744379 /nfs/dbraw/zinc/74/43/79/586744379.db2.gz VSKFXJIEBRVAQR-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000859824624 589063938 /nfs/dbraw/zinc/06/39/38/589063938.db2.gz CENWQIFXSVKYEY-SRQGCSHVSA-N 1 2 213.277 0.703 20 0 BCADLO COc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816835506 586767453 /nfs/dbraw/zinc/76/74/53/586767453.db2.gz JDLQVAJXWVQUQC-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816842741 586767469 /nfs/dbraw/zinc/76/74/69/586767469.db2.gz CNUKAZSIEKOGBX-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816888787 586769533 /nfs/dbraw/zinc/76/95/33/586769533.db2.gz XVMNUYUUVNLYNV-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816930414 586771946 /nfs/dbraw/zinc/77/19/46/586771946.db2.gz AEJYGXBKGYNMJU-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO Cc1ccc([C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000816932261 586771982 /nfs/dbraw/zinc/77/19/82/586771982.db2.gz INZNHDNIPHXWJU-SECBINFHSA-N 1 2 249.270 0.703 20 0 BCADLO CCOC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816943362 586772414 /nfs/dbraw/zinc/77/24/14/586772414.db2.gz WMVYFOCFWCDPHX-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ncc[nH]1 ZINC000816949410 586773323 /nfs/dbraw/zinc/77/33/23/586773323.db2.gz VOQUKHWNTGJZGC-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816957928 586774269 /nfs/dbraw/zinc/77/42/69/586774269.db2.gz XZHXNSOJHYRWBY-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccc[nH]1 ZINC000816956939 586774672 /nfs/dbraw/zinc/77/46/72/586774672.db2.gz BQDKHHTYYQHRJN-UHFFFAOYSA-N 1 2 218.260 0.639 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCOC1 ZINC000816973736 586775497 /nfs/dbraw/zinc/77/54/97/586775497.db2.gz FPKOGKDLSQCYLY-QMMMGPOBSA-N 1 2 209.249 0.247 20 0 BCADLO CC[C@H](CO)C(=O)NCc1c[nH+]ccc1OC ZINC000817087157 586781473 /nfs/dbraw/zinc/78/14/73/586781473.db2.gz GHPJGOQIDOZWQL-SECBINFHSA-N 1 2 238.287 0.725 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ncccn1 ZINC000817086631 586781523 /nfs/dbraw/zinc/78/15/23/586781523.db2.gz RVHZNNXVXCBUAQ-UHFFFAOYSA-N 1 2 244.254 0.810 20 0 BCADLO COC(=O)[C@@H](F)CNc1nc[nH+]c2c1CCC2 ZINC000840341332 586802823 /nfs/dbraw/zinc/80/28/23/586802823.db2.gz NMGTXNUXRRDCRT-QMMMGPOBSA-N 1 2 239.250 0.888 20 0 BCADLO COCC(C)(C)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000817417101 586803032 /nfs/dbraw/zinc/80/30/32/586803032.db2.gz ZYCPUGKUNXBRBD-UHFFFAOYSA-N 1 2 228.292 0.453 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H](OC)C1CC1 ZINC000818079327 586870269 /nfs/dbraw/zinc/87/02/69/586870269.db2.gz RXDASGPSRCNWQO-APPZFPTMSA-N 1 2 216.281 0.945 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000818101723 586874261 /nfs/dbraw/zinc/87/42/61/586874261.db2.gz FMLZPCXNDAKEEK-VHSXEESVSA-N 1 2 223.276 0.851 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000818101723 586874264 /nfs/dbraw/zinc/87/42/64/586874264.db2.gz FMLZPCXNDAKEEK-VHSXEESVSA-N 1 2 223.276 0.851 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000818101724 586874540 /nfs/dbraw/zinc/87/45/40/586874540.db2.gz FMLZPCXNDAKEEK-ZJUUUORDSA-N 1 2 223.276 0.851 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000818101724 586874541 /nfs/dbraw/zinc/87/45/41/586874541.db2.gz FMLZPCXNDAKEEK-ZJUUUORDSA-N 1 2 223.276 0.851 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cnnn2CC)n1 ZINC000818223467 586881090 /nfs/dbraw/zinc/88/10/90/586881090.db2.gz XOEGCKRGSJUWFA-UHFFFAOYSA-N 1 2 249.322 0.508 20 0 BCADLO O[C@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cn1 ZINC000818957240 586917137 /nfs/dbraw/zinc/91/71/37/586917137.db2.gz TVWPPOLPRCFKHE-LLVKDONJSA-N 1 2 236.250 0.767 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1[nH]nnc1C ZINC000818977695 586918988 /nfs/dbraw/zinc/91/89/88/586918988.db2.gz JYSKZMZZGAAYNF-VIFPVBQESA-N 1 2 237.307 0.279 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nnc1C ZINC000818977695 586918990 /nfs/dbraw/zinc/91/89/90/586918990.db2.gz JYSKZMZZGAAYNF-VIFPVBQESA-N 1 2 237.307 0.279 20 0 BCADLO Cc1oncc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000860012827 589075440 /nfs/dbraw/zinc/07/54/40/589075440.db2.gz VJVVDERVWSUXBU-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO Cc1oncc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000860012827 589075442 /nfs/dbraw/zinc/07/54/42/589075442.db2.gz VJVVDERVWSUXBU-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cn(C2CC2)nn1 ZINC000860030698 589076826 /nfs/dbraw/zinc/07/68/26/589076826.db2.gz JYESGQKNFSHVDB-UHFFFAOYSA-N 1 2 247.258 0.667 20 0 BCADLO CC[C@@H](C)CONC[C@H](O)C[NH+]1CCOCC1 ZINC000819328457 586952589 /nfs/dbraw/zinc/95/25/89/586952589.db2.gz MWRAGQJYRXDGKS-NEPJUHHUSA-N 1 2 246.351 0.247 20 0 BCADLO CON(C)C(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000819367237 586957403 /nfs/dbraw/zinc/95/74/03/586957403.db2.gz FZYKBDDTLWEWET-SSDOTTSWSA-N 1 2 244.320 0.599 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cn[nH]n1 ZINC000819493808 586969593 /nfs/dbraw/zinc/96/95/93/586969593.db2.gz IAKYDAZZMIPMGP-UHFFFAOYSA-N 1 2 206.209 0.030 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1c[nH]nn1 ZINC000819493808 586969595 /nfs/dbraw/zinc/96/95/95/586969595.db2.gz IAKYDAZZMIPMGP-UHFFFAOYSA-N 1 2 206.209 0.030 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000819535310 586975007 /nfs/dbraw/zinc/97/50/07/586975007.db2.gz QHFWQMLRBNWVAK-PCAWENJQSA-N 1 2 247.298 0.961 20 0 BCADLO CC(C)(O)CONC(=O)CCn1cc[nH+]c1 ZINC000819541692 586975358 /nfs/dbraw/zinc/97/53/58/586975358.db2.gz GBSPJCVYWAXQKH-UHFFFAOYSA-N 1 2 227.264 0.092 20 0 BCADLO Cc1ccnn1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000860063249 589079097 /nfs/dbraw/zinc/07/90/97/589079097.db2.gz QYGBXYALQQIQRL-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO COc1nccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000820191511 587033592 /nfs/dbraw/zinc/03/35/92/587033592.db2.gz GFEFMYINIRPGAP-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO Cc1cnc(NCC[NH+]2CCOCC2)o1 ZINC000820599238 587058081 /nfs/dbraw/zinc/05/80/81/587058081.db2.gz RFNYOWXTECDYLI-UHFFFAOYSA-N 1 2 211.265 0.727 20 0 BCADLO CO[C@@H](CNC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000820670679 587065238 /nfs/dbraw/zinc/06/52/38/587065238.db2.gz LISKTIYITMWXFJ-FYJFLYSWSA-N 1 2 249.314 0.975 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(OC)no1 ZINC000820840804 587076697 /nfs/dbraw/zinc/07/66/97/587076697.db2.gz CFHHPRSVPYVCKW-MRVPVSSYSA-N 1 2 241.291 0.812 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC2CC(=O)C2)c1 ZINC000820851578 587077323 /nfs/dbraw/zinc/07/73/23/587077323.db2.gz WPMFBVAHUUDYGA-NSCUHMNNSA-N 1 2 219.244 0.281 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820948011 587083920 /nfs/dbraw/zinc/08/39/20/587083920.db2.gz MICNWTPPKGPWBJ-KWQFWETISA-N 1 2 223.276 0.605 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820948009 587084148 /nfs/dbraw/zinc/08/41/48/587084148.db2.gz MICNWTPPKGPWBJ-GZMMTYOYSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCC2=CCOCC2)c1 ZINC000821068744 587092972 /nfs/dbraw/zinc/09/29/72/587092972.db2.gz ZVUSAUOUJMWIHF-NSCUHMNNSA-N 1 2 247.298 0.896 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000821362206 587108317 /nfs/dbraw/zinc/10/83/17/587108317.db2.gz DLNCQXSZSSMLTI-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000821362206 587108319 /nfs/dbraw/zinc/10/83/19/587108319.db2.gz DLNCQXSZSSMLTI-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CCO ZINC000821366797 587112553 /nfs/dbraw/zinc/11/25/53/587112553.db2.gz QQCUJTCRFJCGCQ-SNVBAGLBSA-N 1 2 237.303 0.716 20 0 BCADLO CC1=NO[C@@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000821370021 587113248 /nfs/dbraw/zinc/11/32/48/587113248.db2.gz ODKQDACEXMYEEH-DLRQAJBASA-N 1 2 248.286 0.714 20 0 BCADLO O=C(COC(F)(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821386254 587115699 /nfs/dbraw/zinc/11/56/99/587115699.db2.gz RTTPEOCIOLZEBJ-LURJTMIESA-N 1 2 249.192 0.460 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821395652 587116671 /nfs/dbraw/zinc/11/66/71/587116671.db2.gz YQOGMSMLJMKNBU-NXEZZACHSA-N 1 2 235.287 0.951 20 0 BCADLO CC(=O)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821395652 587116672 /nfs/dbraw/zinc/11/66/72/587116672.db2.gz YQOGMSMLJMKNBU-NXEZZACHSA-N 1 2 235.287 0.951 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821497803 587122667 /nfs/dbraw/zinc/12/26/67/587122667.db2.gz OZXQPHMQHUFXJR-KKZNHRDASA-N 1 2 235.287 0.400 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821497803 587122668 /nfs/dbraw/zinc/12/26/68/587122668.db2.gz OZXQPHMQHUFXJR-KKZNHRDASA-N 1 2 235.287 0.400 20 0 BCADLO CC(C)(NC(=O)c1cc(=O)cc[nH]1)c1[nH]cc[nH+]1 ZINC000821758520 587137045 /nfs/dbraw/zinc/13/70/45/587137045.db2.gz PMVDOVIRYORMLY-UHFFFAOYSA-N 1 2 246.270 0.763 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000821831402 587141785 /nfs/dbraw/zinc/14/17/85/587141785.db2.gz ZRWZJISQHXUDSC-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821938346 587147422 /nfs/dbraw/zinc/14/74/22/587147422.db2.gz RQVZCNZXAPLRAZ-PHDIDXHHSA-N 1 2 231.202 0.826 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCC[C@@H]2CO)c1 ZINC000821981284 587148837 /nfs/dbraw/zinc/14/88/37/587148837.db2.gz ZGWAMCDYIXZFDH-PLWSPRCSSA-N 1 2 249.314 0.711 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC000822154463 587157065 /nfs/dbraw/zinc/15/70/65/587157065.db2.gz CNKVQHWNQUKSKD-MRVPVSSYSA-N 1 2 249.274 0.141 20 0 BCADLO CCC[C@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000822365637 587164113 /nfs/dbraw/zinc/16/41/13/587164113.db2.gz ZFYBYKYDHQGXSY-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CO ZINC000822725266 587182624 /nfs/dbraw/zinc/18/26/24/587182624.db2.gz BSYBDIXJTHEZAE-SECBINFHSA-N 1 2 225.292 0.406 20 0 BCADLO Cc1cn2ccc(C(=O)O[C@H]3CNOC3)cc2[nH+]1 ZINC000822843667 587188683 /nfs/dbraw/zinc/18/86/83/587188683.db2.gz RIUSKCZUGHOMSA-JTQLQIEISA-N 1 2 247.254 0.703 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 ZINC000822846114 587189334 /nfs/dbraw/zinc/18/93/34/587189334.db2.gz YMEFTFPRIIWEKJ-VQVTYTSYSA-N 1 2 225.248 0.756 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1c[nH+]cn1C ZINC000822997416 587197187 /nfs/dbraw/zinc/19/71/87/587197187.db2.gz KLSWNSPZDHGBHY-JTQLQIEISA-N 1 2 239.319 0.833 20 0 BCADLO CON(C)C(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000822996060 587197421 /nfs/dbraw/zinc/19/74/21/587197421.db2.gz FTZDWJLLAXHXIU-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO CON(C)C(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000822996060 587197423 /nfs/dbraw/zinc/19/74/23/587197423.db2.gz FTZDWJLLAXHXIU-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO Cc1nnc(N(C)C(=O)C[NH+]2CCCC2)s1 ZINC000823028534 587198737 /nfs/dbraw/zinc/19/87/37/587198737.db2.gz HTEIBXRMWAWMSJ-UHFFFAOYSA-N 1 2 240.332 0.905 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cnnn1C ZINC000823219648 587208929 /nfs/dbraw/zinc/20/89/29/587208929.db2.gz MJIOLDJYCMTVCU-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cnnn1C ZINC000823219648 587208931 /nfs/dbraw/zinc/20/89/31/587208931.db2.gz MJIOLDJYCMTVCU-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO Cc1cc(NC(=O)CCc2cnn(C)n2)cc[nH+]1 ZINC000823276364 587213179 /nfs/dbraw/zinc/21/31/79/587213179.db2.gz IJZRIDRWPQLFBB-UHFFFAOYSA-N 1 2 245.286 0.512 20 0 BCADLO COC(OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000823381158 587218805 /nfs/dbraw/zinc/21/88/05/587218805.db2.gz KQQKWPVTXATNQW-UHFFFAOYSA-N 1 2 227.264 0.380 20 0 BCADLO C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000840479352 587221419 /nfs/dbraw/zinc/22/14/19/587221419.db2.gz ODJOMLOREYPBLU-OKWQPMOJSA-N 1 2 210.277 0.104 20 0 BCADLO C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000840479352 587221420 /nfs/dbraw/zinc/22/14/20/587221420.db2.gz ODJOMLOREYPBLU-OKWQPMOJSA-N 1 2 210.277 0.104 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000823458780 587223370 /nfs/dbraw/zinc/22/33/70/587223370.db2.gz GKVZFUJYLPECLT-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000823458780 587223372 /nfs/dbraw/zinc/22/33/72/587223372.db2.gz GKVZFUJYLPECLT-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823633897 587233811 /nfs/dbraw/zinc/23/38/11/587233811.db2.gz DFGGBKNCCCTMPF-KOLCDFICSA-N 1 2 237.303 0.475 20 0 BCADLO COC[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823850739 587243010 /nfs/dbraw/zinc/24/30/10/587243010.db2.gz TZBUPLKBANQTKL-MRVPVSSYSA-N 1 2 211.265 0.351 20 0 BCADLO CONC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000824357411 587267368 /nfs/dbraw/zinc/26/73/68/587267368.db2.gz NKPFQLBJCCRQAA-GFCCVEGCSA-N 1 2 220.272 0.595 20 0 BCADLO Cc1cnn(C)c1NC(=O)NCc1c[nH+]cn1C ZINC000824411104 587269562 /nfs/dbraw/zinc/26/95/62/587269562.db2.gz XMVUVJVOKMMJNN-UHFFFAOYSA-N 1 2 248.290 0.784 20 0 BCADLO O=C1C[N@H+](Cc2ccnn2CC2CC2)CCCN1 ZINC000824626720 587280131 /nfs/dbraw/zinc/28/01/31/587280131.db2.gz AGIKUPVIGNTDBD-UHFFFAOYSA-N 1 2 248.330 0.615 20 0 BCADLO O=C1C[N@@H+](Cc2ccnn2CC2CC2)CCCN1 ZINC000824626720 587280133 /nfs/dbraw/zinc/28/01/33/587280133.db2.gz AGIKUPVIGNTDBD-UHFFFAOYSA-N 1 2 248.330 0.615 20 0 BCADLO CC[C@@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824628538 587280253 /nfs/dbraw/zinc/28/02/53/587280253.db2.gz HLOCXEULVMHYHM-SNVBAGLBSA-N 1 2 211.265 0.529 20 0 BCADLO CC[C@@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824628538 587280254 /nfs/dbraw/zinc/28/02/54/587280254.db2.gz HLOCXEULVMHYHM-SNVBAGLBSA-N 1 2 211.265 0.529 20 0 BCADLO Cc1[nH+]ccn1CCNC(=O)C1=NC(=O)N(C)C1 ZINC000824855618 587290527 /nfs/dbraw/zinc/29/05/27/587290527.db2.gz NSDMKDKHRVKAMA-UHFFFAOYSA-N 1 2 249.274 0.061 20 0 BCADLO C[C@H](C[NH2+]C1CCN(C(=O)[O-])CC1)[NH+](C)C ZINC000824973146 587295928 /nfs/dbraw/zinc/29/59/28/587295928.db2.gz DPANUQJJXYXDBM-SECBINFHSA-N 1 2 229.324 0.669 20 0 BCADLO CC[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000824977113 587296607 /nfs/dbraw/zinc/29/66/07/587296607.db2.gz SZOMLXYBKBHBFR-NSHDSACASA-N 1 2 239.275 0.410 20 0 BCADLO COCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825178605 587307716 /nfs/dbraw/zinc/30/77/16/587307716.db2.gz NLFGCTYBECWLDY-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CC[C@@H](O)CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825257706 587311413 /nfs/dbraw/zinc/31/14/13/587311413.db2.gz JQXFYJNUEMYUIN-UMCURTJPSA-N 1 2 223.276 0.320 20 0 BCADLO CC(C)OC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000825310507 587314001 /nfs/dbraw/zinc/31/40/01/587314001.db2.gz MJQXTOQIDDTRRL-UHFFFAOYSA-N 1 2 223.276 0.588 20 0 BCADLO CO[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000825395313 587318571 /nfs/dbraw/zinc/31/85/71/587318571.db2.gz ILMRWIBQTIADMD-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825513981 587322378 /nfs/dbraw/zinc/32/23/78/587322378.db2.gz XIHZEOUYMDHFTA-KWQFWETISA-N 1 2 223.276 0.605 20 0 BCADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)c1nn[nH]n1 ZINC000825532446 587323688 /nfs/dbraw/zinc/32/36/88/587323688.db2.gz WCALVCSTXZVMPX-MRVPVSSYSA-N 1 2 238.295 0.035 20 0 BCADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)c1nn[nH]n1 ZINC000825532446 587323690 /nfs/dbraw/zinc/32/36/90/587323690.db2.gz WCALVCSTXZVMPX-MRVPVSSYSA-N 1 2 238.295 0.035 20 0 BCADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)c1nn[nH]n1 ZINC000825532452 587323991 /nfs/dbraw/zinc/32/39/91/587323991.db2.gz WCALVCSTXZVMPX-QMMMGPOBSA-N 1 2 238.295 0.035 20 0 BCADLO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)c1nn[nH]n1 ZINC000825532452 587323992 /nfs/dbraw/zinc/32/39/92/587323992.db2.gz WCALVCSTXZVMPX-QMMMGPOBSA-N 1 2 238.295 0.035 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@@H+]1C1CC1 ZINC000825852989 587341702 /nfs/dbraw/zinc/34/17/02/587341702.db2.gz SAQNHKAGMFEPSY-BDAKNGLRSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@H+]1C1CC1 ZINC000825852989 587341704 /nfs/dbraw/zinc/34/17/04/587341704.db2.gz SAQNHKAGMFEPSY-BDAKNGLRSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046969 587349302 /nfs/dbraw/zinc/34/93/02/587349302.db2.gz AQYZXTPRIOZIFR-NXEZZACHSA-N 1 2 229.324 0.526 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046969 587349303 /nfs/dbraw/zinc/34/93/03/587349303.db2.gz AQYZXTPRIOZIFR-NXEZZACHSA-N 1 2 229.324 0.526 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046971 587349452 /nfs/dbraw/zinc/34/94/52/587349452.db2.gz AQYZXTPRIOZIFR-UWVGGRQHSA-N 1 2 229.324 0.526 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046971 587349453 /nfs/dbraw/zinc/34/94/53/587349453.db2.gz AQYZXTPRIOZIFR-UWVGGRQHSA-N 1 2 229.324 0.526 20 0 BCADLO CCONC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000826088487 587350658 /nfs/dbraw/zinc/35/06/58/587350658.db2.gz TUPRVLHAUZWNMO-SNVBAGLBSA-N 1 2 226.251 0.936 20 0 BCADLO CCONC(=O)C[NH2+]C1CCC(OCC)CC1 ZINC000826143120 587351114 /nfs/dbraw/zinc/35/11/14/587351114.db2.gz SNBRDHNILRIBAZ-UHFFFAOYSA-N 1 2 244.335 0.991 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCCC12CC2 ZINC000826142780 587351261 /nfs/dbraw/zinc/35/12/61/587351261.db2.gz KOLVBMDOCNYOIJ-SECBINFHSA-N 1 2 212.293 0.976 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)CCO)[nH+]1 ZINC000826275262 587351624 /nfs/dbraw/zinc/35/16/24/587351624.db2.gz UUDVCYTYKHTKTL-QMMMGPOBSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(NCC[C@@H](C)O)c1-c1nn[nH]n1 ZINC000826313278 587351959 /nfs/dbraw/zinc/35/19/59/587351959.db2.gz AUIQHVKCWGEVMZ-MRVPVSSYSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(NCC[C@H](C)O)c1-c1nn[nH]n1 ZINC000826313279 587352226 /nfs/dbraw/zinc/35/22/26/587352226.db2.gz AUIQHVKCWGEVMZ-QMMMGPOBSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](O)C1CC1 ZINC000826765923 587361501 /nfs/dbraw/zinc/36/15/01/587361501.db2.gz IKXKUUGZRKDJFC-JTQLQIEISA-N 1 2 206.245 0.521 20 0 BCADLO CC[N@H+](CC[NH2+][C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827150204 587371277 /nfs/dbraw/zinc/37/12/77/587371277.db2.gz BDJYUTHQBPOZOO-JTQLQIEISA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@@H+](CC[NH2+][C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827150204 587371278 /nfs/dbraw/zinc/37/12/78/587371278.db2.gz BDJYUTHQBPOZOO-JTQLQIEISA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827198108 587372490 /nfs/dbraw/zinc/37/24/90/587372490.db2.gz FMFWTIYOVMQMFL-HBNTYKKESA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827198108 587372491 /nfs/dbraw/zinc/37/24/91/587372491.db2.gz FMFWTIYOVMQMFL-HBNTYKKESA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827198107 587372582 /nfs/dbraw/zinc/37/25/82/587372582.db2.gz FMFWTIYOVMQMFL-GARJFASQSA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827198107 587372583 /nfs/dbraw/zinc/37/25/83/587372583.db2.gz FMFWTIYOVMQMFL-GARJFASQSA-N 1 2 241.335 0.669 20 0 BCADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCNC(=O)[O-] ZINC000827214934 587373059 /nfs/dbraw/zinc/37/30/59/587373059.db2.gz KRDBSFIYBLSDQU-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCNC(=O)[O-] ZINC000827214934 587373060 /nfs/dbraw/zinc/37/30/60/587373060.db2.gz KRDBSFIYBLSDQU-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(=O)[O-] ZINC000827214934 587373061 /nfs/dbraw/zinc/37/30/61/587373061.db2.gz KRDBSFIYBLSDQU-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCNC(=O)[O-] ZINC000827214934 587373062 /nfs/dbraw/zinc/37/30/62/587373062.db2.gz KRDBSFIYBLSDQU-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO COCn1ccc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000827389377 587379345 /nfs/dbraw/zinc/37/93/45/587379345.db2.gz ODUJVYQKSRDHBI-UHFFFAOYSA-N 1 2 246.270 0.865 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000827400591 587380011 /nfs/dbraw/zinc/38/00/11/587380011.db2.gz BRHJADGRRORPCY-MRVPVSSYSA-N 1 2 235.287 0.372 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000827400591 587380012 /nfs/dbraw/zinc/38/00/12/587380012.db2.gz BRHJADGRRORPCY-MRVPVSSYSA-N 1 2 235.287 0.372 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC000827422253 587380788 /nfs/dbraw/zinc/38/07/88/587380788.db2.gz BYLBMCKBWGTJHI-DGCLKSJQSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC000827422253 587380789 /nfs/dbraw/zinc/38/07/89/587380789.db2.gz BYLBMCKBWGTJHI-DGCLKSJQSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC000827422252 587380916 /nfs/dbraw/zinc/38/09/16/587380916.db2.gz BYLBMCKBWGTJHI-AAEUAGOBSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC000827422252 587380917 /nfs/dbraw/zinc/38/09/17/587380917.db2.gz BYLBMCKBWGTJHI-AAEUAGOBSA-N 1 2 238.331 0.790 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOCC1(C)C ZINC000827808608 587402076 /nfs/dbraw/zinc/40/20/76/587402076.db2.gz LZROXFSPCYZKGB-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOCC1(C)C ZINC000827808608 587402077 /nfs/dbraw/zinc/40/20/77/587402077.db2.gz LZROXFSPCYZKGB-ZDUSSCGKSA-N 1 2 205.323 0.476 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000827878102 587407012 /nfs/dbraw/zinc/40/70/12/587407012.db2.gz NKZQOCQFMPEDKG-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000827878102 587407013 /nfs/dbraw/zinc/40/70/13/587407013.db2.gz NKZQOCQFMPEDKG-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000828058702 587418305 /nfs/dbraw/zinc/41/83/05/587418305.db2.gz UGPHUAMDDDQADK-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CN(CC[S@](C)=O)Cc1[nH+]ccn1C ZINC000828098434 587419227 /nfs/dbraw/zinc/41/92/27/587419227.db2.gz LTBLTAQELRMWCY-AWEZNQCLSA-N 1 2 215.322 0.230 20 0 BCADLO CN(CC[S@@](C)=O)Cc1[nH+]ccn1C ZINC000828098439 587419401 /nfs/dbraw/zinc/41/94/01/587419401.db2.gz LTBLTAQELRMWCY-CQSZACIVSA-N 1 2 215.322 0.230 20 0 BCADLO C[C@@H]1CN(CC[S@@](C)=O)[C@@H](C)C[N@H+]1C ZINC000828127096 587420238 /nfs/dbraw/zinc/42/02/38/587420238.db2.gz BXZBMYKVHFBDMF-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1CN(CC[S@@](C)=O)[C@@H](C)C[N@@H+]1C ZINC000828127096 587420236 /nfs/dbraw/zinc/42/02/36/587420236.db2.gz BXZBMYKVHFBDMF-ISTVAULSSA-N 1 2 218.366 0.389 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000828313169 587434207 /nfs/dbraw/zinc/43/42/07/587434207.db2.gz MZQSQLOOVQQKFB-IINYFYTJSA-N 1 2 217.334 0.476 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000828313169 587434208 /nfs/dbraw/zinc/43/42/08/587434208.db2.gz MZQSQLOOVQQKFB-IINYFYTJSA-N 1 2 217.334 0.476 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC[S@@](C)=O ZINC000828317727 587434495 /nfs/dbraw/zinc/43/44/95/587434495.db2.gz AEBSNXPYPDGVSP-XXFAHNHDSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC[S@@](C)=O ZINC000828317727 587434496 /nfs/dbraw/zinc/43/44/96/587434496.db2.gz AEBSNXPYPDGVSP-XXFAHNHDSA-N 1 2 248.392 0.600 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CC[S@@](C)=O)C(C)(C)C ZINC000828379312 587438973 /nfs/dbraw/zinc/43/89/73/587438973.db2.gz GRJIJINEANHFDF-JDNHERCYSA-N 1 2 249.376 0.932 20 0 BCADLO C[C@@H]1C[NH+](CC[S@@](C)=O)C[C@@H](C)S1=O ZINC000828419452 587441419 /nfs/dbraw/zinc/44/14/19/587441419.db2.gz COBLGBSFGNECAN-JRKPZEMJSA-N 1 2 237.390 0.206 20 0 BCADLO COc1ccc(C[N@H+](C)CC[S@](C)=O)cn1 ZINC000828449606 587442721 /nfs/dbraw/zinc/44/27/21/587442721.db2.gz WOBGCLFPAXLDIZ-INIZCTEOSA-N 1 2 242.344 0.901 20 0 BCADLO COc1ccc(C[N@@H+](C)CC[S@](C)=O)cn1 ZINC000828449606 587442722 /nfs/dbraw/zinc/44/27/22/587442722.db2.gz WOBGCLFPAXLDIZ-INIZCTEOSA-N 1 2 242.344 0.901 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000828482346 587445324 /nfs/dbraw/zinc/44/53/24/587445324.db2.gz XEDYWLGPVDWSFP-LLVKDONJSA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000828482346 587445325 /nfs/dbraw/zinc/44/53/25/587445325.db2.gz XEDYWLGPVDWSFP-LLVKDONJSA-N 1 2 241.335 0.813 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000828519301 587447126 /nfs/dbraw/zinc/44/71/26/587447126.db2.gz CXTPNGIRASLBFH-BZNIZROVSA-N 1 2 247.360 0.246 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000828519301 587447127 /nfs/dbraw/zinc/44/71/27/587447127.db2.gz CXTPNGIRASLBFH-BZNIZROVSA-N 1 2 247.360 0.246 20 0 BCADLO C[C@H]1CN(Cc2cnns2)CC[N@@H+]1C ZINC000828528998 587447920 /nfs/dbraw/zinc/44/79/20/587447920.db2.gz DYEPKCLZVDPFFA-QMMMGPOBSA-N 1 2 212.322 0.674 20 0 BCADLO C[C@H]1CN(Cc2cnns2)CC[N@H+]1C ZINC000828528998 587447921 /nfs/dbraw/zinc/44/79/21/587447921.db2.gz DYEPKCLZVDPFFA-QMMMGPOBSA-N 1 2 212.322 0.674 20 0 BCADLO CC[C@@H]1C[N@@H+](CC)CCN1CC[S@](C)=O ZINC000828602795 587453135 /nfs/dbraw/zinc/45/31/35/587453135.db2.gz GJLWONOXFHVOIM-ABAIWWIYSA-N 1 2 232.393 0.781 20 0 BCADLO CC[C@@H]1C[N@H+](CC)CCN1CC[S@](C)=O ZINC000828602795 587453133 /nfs/dbraw/zinc/45/31/33/587453133.db2.gz GJLWONOXFHVOIM-ABAIWWIYSA-N 1 2 232.393 0.781 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@H+](C)[C@H](C)C2)s1 ZINC000828773566 587461456 /nfs/dbraw/zinc/46/14/56/587461456.db2.gz GUWCHEPTUXKQNK-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000828773566 587461457 /nfs/dbraw/zinc/46/14/57/587461457.db2.gz GUWCHEPTUXKQNK-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000828833824 587465753 /nfs/dbraw/zinc/46/57/53/587465753.db2.gz KVVKGZNNHOVKLW-UTLUCORTSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccnn1C ZINC000828909141 587471438 /nfs/dbraw/zinc/47/14/38/587471438.db2.gz UQEHOLGRQOTJTJ-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC[S@](C)=O ZINC000828952579 587475158 /nfs/dbraw/zinc/47/51/58/587475158.db2.gz AXDOAPWOQLBVBR-LSYCYVAJSA-N 1 2 247.360 0.638 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC[S@](C)=O ZINC000828952579 587475160 /nfs/dbraw/zinc/47/51/60/587475160.db2.gz AXDOAPWOQLBVBR-LSYCYVAJSA-N 1 2 247.360 0.638 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000828962747 587475959 /nfs/dbraw/zinc/47/59/59/587475959.db2.gz XLKMUKIKVCJUCZ-DTWKUNHWSA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC[S@@](C)=O ZINC000828992719 587478194 /nfs/dbraw/zinc/47/81/94/587478194.db2.gz XQOLREBKSXHKBX-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC[S@@](C)=O ZINC000828992719 587478195 /nfs/dbraw/zinc/47/81/95/587478195.db2.gz XQOLREBKSXHKBX-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOC1CCC1 ZINC000829088180 587482445 /nfs/dbraw/zinc/48/24/45/587482445.db2.gz XHHCCQCXHCONDN-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](CC[S@](C)=O)C1CCC1 ZINC000829166193 587486099 /nfs/dbraw/zinc/48/60/99/587486099.db2.gz PSYWBHKHMODZPZ-ABKXIKBNSA-N 1 2 247.360 0.781 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](CC[S@](C)=O)C1CCC1 ZINC000829166193 587486101 /nfs/dbraw/zinc/48/61/01/587486101.db2.gz PSYWBHKHMODZPZ-ABKXIKBNSA-N 1 2 247.360 0.781 20 0 BCADLO CO[C@H]1C[C@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000829191901 587487611 /nfs/dbraw/zinc/48/76/11/587487611.db2.gz MMQHLGRKHAOUEW-NXWBYASRSA-N 1 2 249.314 0.975 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829241912 587489949 /nfs/dbraw/zinc/48/99/49/587489949.db2.gz GMMRCHFRLIGYRA-BONVTDFDSA-N 1 2 249.401 0.573 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829241912 587489950 /nfs/dbraw/zinc/48/99/50/587489950.db2.gz GMMRCHFRLIGYRA-BONVTDFDSA-N 1 2 249.401 0.573 20 0 BCADLO C[C@@](O)(CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000829279207 587490797 /nfs/dbraw/zinc/49/07/97/587490797.db2.gz ISHZMIUMUCKWDE-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO COC[C@H]1C[C@@H](NC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000829350815 587494058 /nfs/dbraw/zinc/49/40/58/587494058.db2.gz HUKYIEZUCQNELY-RCPVXLAGSA-N 1 2 249.314 0.975 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3C[C@]3(O)C2)c1 ZINC000829411554 587496341 /nfs/dbraw/zinc/49/63/41/587496341.db2.gz VEBNQVYMJWNDJV-VCDKZUISSA-N 1 2 233.271 0.027 20 0 BCADLO CO[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000829415279 587496493 /nfs/dbraw/zinc/49/64/93/587496493.db2.gz MPYOBUNMFJRXJK-SECBINFHSA-N 1 2 225.292 0.739 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829428702 587496516 /nfs/dbraw/zinc/49/65/16/587496516.db2.gz SACMBCQELITLFJ-WPRPVWTQSA-N 1 2 234.303 0.923 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829428702 587496518 /nfs/dbraw/zinc/49/65/18/587496518.db2.gz SACMBCQELITLFJ-WPRPVWTQSA-N 1 2 234.303 0.923 20 0 BCADLO CC(C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829462801 587498823 /nfs/dbraw/zinc/49/88/23/587498823.db2.gz LVXCYNYXNPJYHF-UHFFFAOYSA-N 1 2 222.292 0.923 20 0 BCADLO CC(C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829462801 587498824 /nfs/dbraw/zinc/49/88/24/587498824.db2.gz LVXCYNYXNPJYHF-UHFFFAOYSA-N 1 2 222.292 0.923 20 0 BCADLO COC[C@H](C)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829490112 587500135 /nfs/dbraw/zinc/50/01/35/587500135.db2.gz HDFVJFDAGBVOPP-MOVJSRMASA-N 1 2 223.276 0.584 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC=C(N)N2)c[nH+]1 ZINC000829853354 587524209 /nfs/dbraw/zinc/52/42/09/587524209.db2.gz LTCCHGMTJKQHND-UHFFFAOYSA-N 1 2 235.291 0.074 20 0 BCADLO CC(C)C[C@@H](C(=O)N1CC=C(N)N1)n1cc[nH+]c1 ZINC000829853685 587524572 /nfs/dbraw/zinc/52/45/72/587524572.db2.gz YHENSJZWLFFYPN-JTQLQIEISA-N 1 2 249.318 0.617 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C=O)cn1 ZINC000830135081 587538276 /nfs/dbraw/zinc/53/82/76/587538276.db2.gz JZDJMWFSEBYNRD-SNVBAGLBSA-N 1 2 233.271 0.328 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C=O)cn1 ZINC000830135081 587538277 /nfs/dbraw/zinc/53/82/77/587538277.db2.gz JZDJMWFSEBYNRD-SNVBAGLBSA-N 1 2 233.271 0.328 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830220104 587541526 /nfs/dbraw/zinc/54/15/26/587541526.db2.gz YMGNAWDYHZPZDK-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830220104 587541528 /nfs/dbraw/zinc/54/15/28/587541528.db2.gz YMGNAWDYHZPZDK-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C1CC1)C1COC1 ZINC000830231411 587542702 /nfs/dbraw/zinc/54/27/02/587542702.db2.gz ADVVGQLRYRHZIT-WEVVVXLNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C1CC1)C1COC1 ZINC000830231411 587542704 /nfs/dbraw/zinc/54/27/04/587542704.db2.gz ADVVGQLRYRHZIT-WEVVVXLNSA-N 1 2 225.288 0.969 20 0 BCADLO CCC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830239689 587543706 /nfs/dbraw/zinc/54/37/06/587543706.db2.gz WLDUWEUROOPWLI-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO Cc1nonc1C[N@H+](C)CC(C)(C)CO ZINC000830704806 587564164 /nfs/dbraw/zinc/56/41/64/587564164.db2.gz VJGYZZKQOVMPIS-UHFFFAOYSA-N 1 2 213.281 0.828 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000830623463 587561212 /nfs/dbraw/zinc/56/12/12/587561212.db2.gz RVDJVXUCFLDXNS-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000830623463 587561214 /nfs/dbraw/zinc/56/12/14/587561214.db2.gz RVDJVXUCFLDXNS-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CCO)C1 ZINC000830636870 587561970 /nfs/dbraw/zinc/56/19/70/587561970.db2.gz KGAINBQLLHSQQA-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CCO)C1 ZINC000830636868 587562103 /nfs/dbraw/zinc/56/21/03/587562103.db2.gz KGAINBQLLHSQQA-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO Cc1nonc1C[N@@H+](C)CC(C)(C)CO ZINC000830704806 587564163 /nfs/dbraw/zinc/56/41/63/587564163.db2.gz VJGYZZKQOVMPIS-UHFFFAOYSA-N 1 2 213.281 0.828 20 0 BCADLO C[C@@H]1COCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830713604 587564553 /nfs/dbraw/zinc/56/45/53/587564553.db2.gz XAGZSYJZVHJKJW-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709035 587564979 /nfs/dbraw/zinc/56/49/79/587564979.db2.gz VQBKGIMGFVGZGA-NXEZZACHSA-N 1 2 225.288 0.945 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709035 587564981 /nfs/dbraw/zinc/56/49/81/587564981.db2.gz VQBKGIMGFVGZGA-NXEZZACHSA-N 1 2 225.288 0.945 20 0 BCADLO CCn1ccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000830740196 587565869 /nfs/dbraw/zinc/56/58/69/587565869.db2.gz PNWYCSKZFDHAMX-UHFFFAOYSA-N 1 2 234.259 0.957 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000830890852 587575341 /nfs/dbraw/zinc/57/53/41/587575341.db2.gz RLXRDACUDUYIFR-QWRGUYRKSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@H](NC(=O)OC1CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000830908575 587577254 /nfs/dbraw/zinc/57/72/54/587577254.db2.gz LLDDBSKBZAKSDH-GXSJLCMTSA-N 1 2 242.319 0.984 20 0 BCADLO C[C@H](NC(=O)OC1CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000830908575 587577255 /nfs/dbraw/zinc/57/72/55/587577255.db2.gz LLDDBSKBZAKSDH-GXSJLCMTSA-N 1 2 242.319 0.984 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831316874 587597783 /nfs/dbraw/zinc/59/77/83/587597783.db2.gz CTLRHIVZAUTKQU-BDAKNGLRSA-N 1 2 225.292 0.618 20 0 BCADLO CONC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000831352818 587600328 /nfs/dbraw/zinc/60/03/28/587600328.db2.gz CPTHDGYWYQDXAI-VHSXEESVSA-N 1 2 244.335 0.846 20 0 BCADLO CC(C)(C)C(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831388096 587602678 /nfs/dbraw/zinc/60/26/78/587602678.db2.gz BHAPXAKDTKGGSO-UHFFFAOYSA-N 1 2 223.276 0.684 20 0 BCADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCOC1 ZINC000831645090 587625588 /nfs/dbraw/zinc/62/55/88/587625588.db2.gz KUIUTXBWQOFAOZ-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO CO[C@H]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831697381 587628061 /nfs/dbraw/zinc/62/80/61/587628061.db2.gz KFEDPMVWWPKKBV-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831816765 587633034 /nfs/dbraw/zinc/63/30/34/587633034.db2.gz HIGULASVIQTIIZ-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC1=NO[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000831982540 587641327 /nfs/dbraw/zinc/64/13/27/587641327.db2.gz CBJHPMJDXQXXPV-JTQLQIEISA-N 1 2 236.275 0.244 20 0 BCADLO CC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832564181 587666467 /nfs/dbraw/zinc/66/64/67/587666467.db2.gz UTBMYESVZNXZPZ-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO O=C([O-])NCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000832641948 587672110 /nfs/dbraw/zinc/67/21/10/587672110.db2.gz PDLVBZAKOPVEFS-SNVBAGLBSA-N 1 2 238.291 0.788 20 0 BCADLO O=C([O-])NCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000832641948 587672112 /nfs/dbraw/zinc/67/21/12/587672112.db2.gz PDLVBZAKOPVEFS-SNVBAGLBSA-N 1 2 238.291 0.788 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1O ZINC000832697332 587678174 /nfs/dbraw/zinc/67/81/74/587678174.db2.gz ZUEHBGZVVWADPE-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832802937 587691018 /nfs/dbraw/zinc/69/10/18/587691018.db2.gz WNJASECFUXGSDG-JGVFFNPUSA-N 1 2 211.265 0.492 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000832850943 587693820 /nfs/dbraw/zinc/69/38/20/587693820.db2.gz SUGYGIITKYZXGJ-NSHDSACASA-N 1 2 239.319 0.978 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000833406117 587713806 /nfs/dbraw/zinc/71/38/06/587713806.db2.gz AZFDROSQVSXUHU-RKDXNWHRSA-N 1 2 223.276 0.683 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000833406117 587713807 /nfs/dbraw/zinc/71/38/07/587713807.db2.gz AZFDROSQVSXUHU-RKDXNWHRSA-N 1 2 223.276 0.683 20 0 BCADLO COC[C@@](C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000833722155 587729522 /nfs/dbraw/zinc/72/95/22/587729522.db2.gz LQEGUJXLINJUQE-GFCCVEGCSA-N 1 2 244.335 0.552 20 0 BCADLO COC[C@@](C)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000833721753 587729767 /nfs/dbraw/zinc/72/97/67/587729767.db2.gz GDRFUTFKUUXWGP-LLVKDONJSA-N 1 2 241.291 0.353 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000867105376 587745529 /nfs/dbraw/zinc/74/55/29/587745529.db2.gz NFMTWEUUJCUBCC-KOLCDFICSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000834667123 587763433 /nfs/dbraw/zinc/76/34/33/587763433.db2.gz NHRKQYURXBFTQO-AKZRSSKFSA-N 1 2 205.261 0.867 20 0 BCADLO CO[C@]1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834764654 587766210 /nfs/dbraw/zinc/76/62/10/587766210.db2.gz OJUGSFAAMSDUTR-GFCCVEGCSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(NC[C@H]1C[C@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000834771233 587766514 /nfs/dbraw/zinc/76/65/14/587766514.db2.gz VRBXZMKGFDOKOV-HOMQSWHASA-N 1 2 245.282 0.835 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC=C(F)C1 ZINC000867193265 587836603 /nfs/dbraw/zinc/83/66/03/587836603.db2.gz AHBVGHLDIZPYEX-SECBINFHSA-N 1 2 225.223 0.529 20 0 BCADLO CC(C)(F)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865163 587840381 /nfs/dbraw/zinc/84/03/81/587840381.db2.gz AVYQPCMHWSLFHN-AOOOYVTPSA-N 1 2 244.310 0.714 20 0 BCADLO CC(C)(F)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865163 587840382 /nfs/dbraw/zinc/84/03/82/587840382.db2.gz AVYQPCMHWSLFHN-AOOOYVTPSA-N 1 2 244.310 0.714 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2cnn(C)n2)c[nH+]1 ZINC000837104828 587854418 /nfs/dbraw/zinc/85/44/18/587854418.db2.gz MIGBQHKEHWSAGT-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC000837549796 587881369 /nfs/dbraw/zinc/88/13/69/587881369.db2.gz WUUDRIUEFLEBBO-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)F ZINC000841455467 587955291 /nfs/dbraw/zinc/95/52/91/587955291.db2.gz UESCQUMEUSEXOS-JGVFFNPUSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)F ZINC000841455467 587955293 /nfs/dbraw/zinc/95/52/93/587955293.db2.gz UESCQUMEUSEXOS-JGVFFNPUSA-N 1 2 236.262 0.165 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C(=O)N(C)C)C(C)C ZINC000842037222 587991899 /nfs/dbraw/zinc/99/18/99/587991899.db2.gz UOGMLZCZRMTYCK-DTWKUNHWSA-N 1 2 245.323 0.633 20 0 BCADLO CCn1nc(C)c(CO[NH+]=C(N)[C@H](C)OC)n1 ZINC000842036689 587991929 /nfs/dbraw/zinc/99/19/29/587991929.db2.gz OWOUNTTXBVNXAR-QMMMGPOBSA-N 1 2 241.295 0.640 20 0 BCADLO CC[C@H](COC(=O)[C@@H]1C[N@H+](CC)CCO1)OC ZINC000842081373 587996636 /nfs/dbraw/zinc/99/66/36/587996636.db2.gz UXSUOTHNXFVCPC-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](COC(=O)[C@@H]1C[N@@H+](CC)CCO1)OC ZINC000842081373 587996638 /nfs/dbraw/zinc/99/66/38/587996638.db2.gz UXSUOTHNXFVCPC-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](COC(=O)[C@H]1C[N@H+](CC)CCO1)OC ZINC000842081371 587996985 /nfs/dbraw/zinc/99/69/85/587996985.db2.gz UXSUOTHNXFVCPC-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](COC(=O)[C@H]1C[N@@H+](CC)CCO1)OC ZINC000842081371 587996987 /nfs/dbraw/zinc/99/69/87/587996987.db2.gz UXSUOTHNXFVCPC-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000842634849 588047814 /nfs/dbraw/zinc/04/78/14/588047814.db2.gz HXXSHLBTWACWPW-NXEZZACHSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000842634849 588047816 /nfs/dbraw/zinc/04/78/16/588047816.db2.gz HXXSHLBTWACWPW-NXEZZACHSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C(=O)CC12CCC2 ZINC000842634405 588047844 /nfs/dbraw/zinc/04/78/44/588047844.db2.gz CWEYRZNANIFVBH-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C(=O)CC12CCC2 ZINC000842634405 588047845 /nfs/dbraw/zinc/04/78/45/588047845.db2.gz CWEYRZNANIFVBH-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO CC(C)Cn1nccc1C[NH2+]Cc1nncn1C ZINC000842669008 588051082 /nfs/dbraw/zinc/05/10/82/588051082.db2.gz NDDMKYDMHWCYGY-UHFFFAOYSA-N 1 2 248.334 0.957 20 0 BCADLO Cn1cc(/C=C/C(=O)NCCn2cc[nH+]c2)cn1 ZINC000842715046 588054950 /nfs/dbraw/zinc/05/49/50/588054950.db2.gz ZFCJPZBQZSSKMJ-NSCUHMNNSA-N 1 2 245.286 0.446 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cc[n+]([O-])cc1 ZINC000842765108 588060860 /nfs/dbraw/zinc/06/08/60/588060860.db2.gz DPWAXKSDLFTDMB-UHFFFAOYSA-N 1 2 247.254 0.453 20 0 BCADLO CCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842962797 588073400 /nfs/dbraw/zinc/07/34/00/588073400.db2.gz HQPPUTZYWVJNEJ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842962797 588073402 /nfs/dbraw/zinc/07/34/02/588073402.db2.gz HQPPUTZYWVJNEJ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CC[NH2+]Cc1noc(CN2CCSC2=O)n1 ZINC000843145086 588086892 /nfs/dbraw/zinc/08/68/92/588086892.db2.gz CKXZIKWQVDMMRU-UHFFFAOYSA-N 1 2 242.304 0.848 20 0 BCADLO COC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000843597508 588127490 /nfs/dbraw/zinc/12/74/90/588127490.db2.gz KGIPUHPAQZCCHN-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C2(F)CC2)c1 ZINC000843605544 588129520 /nfs/dbraw/zinc/12/95/20/588129520.db2.gz LPTBQBHMAIJYQH-UHFFFAOYSA-N 1 2 211.240 0.581 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000843789685 588140087 /nfs/dbraw/zinc/14/00/87/588140087.db2.gz WGEIXBPHVZEJII-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)C1(F)CC1 ZINC000843789685 588140089 /nfs/dbraw/zinc/14/00/89/588140089.db2.gz WGEIXBPHVZEJII-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)C2)CC[N@@H+]1C ZINC000843806040 588141574 /nfs/dbraw/zinc/14/15/74/588141574.db2.gz LMGDQEXWZQSZMP-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)C2)CC[N@H+]1C ZINC000843806040 588141576 /nfs/dbraw/zinc/14/15/76/588141576.db2.gz LMGDQEXWZQSZMP-ZJUUUORDSA-N 1 2 224.304 0.518 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(F)CC1 ZINC000843859830 588145844 /nfs/dbraw/zinc/14/58/44/588145844.db2.gz RHLMFRHLRZUFPT-QMMMGPOBSA-N 1 2 223.251 0.816 20 0 BCADLO C/C=C(\C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883791 588147383 /nfs/dbraw/zinc/14/73/83/588147383.db2.gz KCRGBZNRVRYPOH-QPJJXVBHSA-N 1 2 220.276 0.950 20 0 BCADLO CCCONC(=O)CC[NH+]1CCOCC1 ZINC000844084291 588162879 /nfs/dbraw/zinc/16/28/79/588162879.db2.gz KIEPQOXMGBGBTA-UHFFFAOYSA-N 1 2 216.281 0.167 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCCN1C ZINC000844309658 588182836 /nfs/dbraw/zinc/18/28/36/588182836.db2.gz FPOAVPGITMJKKE-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCCN1C ZINC000844309658 588182838 /nfs/dbraw/zinc/18/28/38/588182838.db2.gz FPOAVPGITMJKKE-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)OC)[C@H](C)CO1 ZINC000844390559 588188610 /nfs/dbraw/zinc/18/86/10/588188610.db2.gz IEMHDMACKJLNRC-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)OC)[C@H](C)CO1 ZINC000844390559 588188611 /nfs/dbraw/zinc/18/86/11/588188611.db2.gz IEMHDMACKJLNRC-ZJUUUORDSA-N 1 2 230.308 0.506 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844393266 588189430 /nfs/dbraw/zinc/18/94/30/588189430.db2.gz QCLMIMUCBCSSHK-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844393266 588189431 /nfs/dbraw/zinc/18/94/31/588189431.db2.gz QCLMIMUCBCSSHK-OUAUKWLOSA-N 1 2 245.319 0.410 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)OCC(C)C ZINC000844403799 588190119 /nfs/dbraw/zinc/19/01/19/588190119.db2.gz FRVVKKQSTUWTMV-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)OCC(C)C ZINC000844403799 588190121 /nfs/dbraw/zinc/19/01/21/588190121.db2.gz FRVVKKQSTUWTMV-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844434429 588192930 /nfs/dbraw/zinc/19/29/30/588192930.db2.gz UHCLAHGAEGXLDN-AMJWSMQMSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844434429 588192932 /nfs/dbraw/zinc/19/29/32/588192932.db2.gz UHCLAHGAEGXLDN-AMJWSMQMSA-N 1 2 226.301 0.688 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448797 588195079 /nfs/dbraw/zinc/19/50/79/588195079.db2.gz BQYCKZGYAKNAGW-OCAPTIKFSA-N 1 2 218.247 0.710 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448797 588195081 /nfs/dbraw/zinc/19/50/81/588195081.db2.gz BQYCKZGYAKNAGW-OCAPTIKFSA-N 1 2 218.247 0.710 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)S(C)(=O)=O ZINC000844459421 588196398 /nfs/dbraw/zinc/19/63/98/588196398.db2.gz AKNBXMKHOVAJIW-PRJMDXOYSA-N 1 2 239.287 0.616 20 0 BCADLO C[C@H](C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)S(C)(=O)=O ZINC000844459421 588196399 /nfs/dbraw/zinc/19/63/99/588196399.db2.gz AKNBXMKHOVAJIW-PRJMDXOYSA-N 1 2 239.287 0.616 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)S(C)(=O)=O ZINC000844459418 588196441 /nfs/dbraw/zinc/19/64/41/588196441.db2.gz AKNBXMKHOVAJIW-BIIVOSGPSA-N 1 2 239.287 0.616 20 0 BCADLO C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)S(C)(=O)=O ZINC000844459418 588196442 /nfs/dbraw/zinc/19/64/42/588196442.db2.gz AKNBXMKHOVAJIW-BIIVOSGPSA-N 1 2 239.287 0.616 20 0 BCADLO C[C@H](CC(=O)NCc1cnn(C)n1)n1cc[nH+]c1 ZINC000844534018 588200792 /nfs/dbraw/zinc/20/07/92/588200792.db2.gz FWNRJZBXZIJVDW-SECBINFHSA-N 1 2 248.290 0.279 20 0 BCADLO CC[C@@H]1CCC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844684003 588213764 /nfs/dbraw/zinc/21/37/64/588213764.db2.gz AQAFJIWSTXFAMR-LLVKDONJSA-N 1 2 238.335 0.970 20 0 BCADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844684003 588213766 /nfs/dbraw/zinc/21/37/66/588213766.db2.gz AQAFJIWSTXFAMR-LLVKDONJSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@H+]2CC(C)(C)C[C@@H]2C)c(=O)n1C ZINC000844708012 588214814 /nfs/dbraw/zinc/21/48/14/588214814.db2.gz NNXYASHXZAZTIX-VIFPVBQESA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@@H+]2CC(C)(C)C[C@@H]2C)c(=O)n1C ZINC000844708012 588214815 /nfs/dbraw/zinc/21/48/15/588214815.db2.gz NNXYASHXZAZTIX-VIFPVBQESA-N 1 2 238.335 0.968 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC000844748655 588215983 /nfs/dbraw/zinc/21/59/83/588215983.db2.gz MAVSHSJXFOHHHK-MLQVYSHPSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC000844748655 588215984 /nfs/dbraw/zinc/21/59/84/588215984.db2.gz MAVSHSJXFOHHHK-MLQVYSHPSA-N 1 2 242.344 0.018 20 0 BCADLO COC(=O)CCCO[NH+]=C(N)[C@@H](C)OC ZINC000844765121 588216523 /nfs/dbraw/zinc/21/65/23/588216523.db2.gz SFUYVWGGNNCLQF-SSDOTTSWSA-N 1 2 218.253 0.473 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000845206881 588223562 /nfs/dbraw/zinc/22/35/62/588223562.db2.gz AWNLSQSKVDUIQK-RUYJGKKWSA-N 1 2 237.303 0.981 20 0 BCADLO CCNC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278333 588225119 /nfs/dbraw/zinc/22/51/19/588225119.db2.gz UGDBJKZTFFHWSP-SECBINFHSA-N 1 2 239.275 0.514 20 0 BCADLO C[C@H](CC(=O)OC[C@H](C)O)n1cc[nH+]c1 ZINC000845284529 588225938 /nfs/dbraw/zinc/22/59/38/588225938.db2.gz NDMORWQOXAGLRH-BDAKNGLRSA-N 1 2 212.249 0.758 20 0 BCADLO COC/C(C)=C\C(=O)NCc1[nH+]ccn1C ZINC000845434594 588229626 /nfs/dbraw/zinc/22/96/26/588229626.db2.gz QPUFBNYXQQUVJT-TWGQIWQCSA-N 1 2 223.276 0.629 20 0 BCADLO Cc1nonc1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000845492926 588230588 /nfs/dbraw/zinc/23/05/88/588230588.db2.gz XLSMTVNLGWKMPA-UHFFFAOYSA-N 1 2 232.243 0.685 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2cnnn2)[nH+]1 ZINC000845574815 588233718 /nfs/dbraw/zinc/23/37/18/588233718.db2.gz OLBTVTVGGOSIAR-UHFFFAOYSA-N 1 2 244.262 0.365 20 0 BCADLO CCONC(=O)CNc1cc(C)cc[nH+]1 ZINC000845713168 588242184 /nfs/dbraw/zinc/24/21/84/588242184.db2.gz HHIJDLRLBAHKAJ-UHFFFAOYSA-N 1 2 209.249 0.870 20 0 BCADLO C[C@H](CC(=O)N[C@H](CO)C1CC1)n1cc[nH+]c1 ZINC000845908438 588250002 /nfs/dbraw/zinc/25/00/02/588250002.db2.gz KRNVDRNVNSRTNX-MWLCHTKSSA-N 1 2 237.303 0.721 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cocn1 ZINC000846063327 588255056 /nfs/dbraw/zinc/25/50/56/588255056.db2.gz GKLAOXYNPHSVFM-UHFFFAOYSA-N 1 2 213.237 0.174 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1csc(C)n1 ZINC000846066023 588255241 /nfs/dbraw/zinc/25/52/41/588255241.db2.gz YAQCBEUELKEHPS-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000846089855 588256221 /nfs/dbraw/zinc/25/62/21/588256221.db2.gz YFIRLUPDDFSWKB-RKDXNWHRSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@@H]1SC ZINC000846090919 588256304 /nfs/dbraw/zinc/25/63/04/588256304.db2.gz NBTIXAHNZWLUBD-YUMQZZPRSA-N 1 2 218.322 0.538 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)Cc1ccoc1 ZINC000846090450 588256320 /nfs/dbraw/zinc/25/63/20/588256320.db2.gz ASPVEXXMMJZEOW-SECBINFHSA-N 1 2 226.276 0.868 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000846089853 588256348 /nfs/dbraw/zinc/25/63/48/588256348.db2.gz YFIRLUPDDFSWKB-IUCAKERBSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H]1C ZINC000846089850 588256397 /nfs/dbraw/zinc/25/63/97/588256397.db2.gz YFIRLUPDDFSWKB-BDAKNGLRSA-N 1 2 200.282 0.832 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccoc1 ZINC000846103649 588256747 /nfs/dbraw/zinc/25/67/47/588256747.db2.gz TVNIAZRDEZAXEZ-BHDSKKPTSA-N 1 2 211.286 0.985 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccoc1 ZINC000846103649 588256748 /nfs/dbraw/zinc/25/67/48/588256748.db2.gz TVNIAZRDEZAXEZ-BHDSKKPTSA-N 1 2 211.286 0.985 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000846127171 588258216 /nfs/dbraw/zinc/25/82/16/588258216.db2.gz UCFXFYMLBXKUEI-UAWPZABVSA-N 1 2 249.314 0.907 20 0 BCADLO CC(C)(NC(=O)C1=COCCO1)c1[nH]cc[nH+]1 ZINC000846243604 588262454 /nfs/dbraw/zinc/26/24/54/588262454.db2.gz DVEZNDXQTGTVSJ-UHFFFAOYSA-N 1 2 237.259 0.649 20 0 BCADLO C[NH+]1CCC(ONC(=O)[C@]2(C)CCOC2)CC1 ZINC000846649081 588281001 /nfs/dbraw/zinc/28/10/01/588281001.db2.gz AZWZFSDTCNSARJ-GFCCVEGCSA-N 1 2 242.319 0.555 20 0 BCADLO COc1cncc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000846663038 588281599 /nfs/dbraw/zinc/28/15/99/588281599.db2.gz LJQLCRUWTQHLPZ-UHFFFAOYSA-N 1 2 247.258 0.780 20 0 BCADLO COc1cncc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000846663038 588281600 /nfs/dbraw/zinc/28/16/00/588281600.db2.gz LJQLCRUWTQHLPZ-UHFFFAOYSA-N 1 2 247.258 0.780 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@@H](C)C2)OC1=O ZINC000846760721 588286194 /nfs/dbraw/zinc/28/61/94/588286194.db2.gz SHKFRAXZEJVLFH-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@@H](C)C2)OC1=O ZINC000846760721 588286195 /nfs/dbraw/zinc/28/61/95/588286195.db2.gz SHKFRAXZEJVLFH-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[N@H+](CC(=O)NC)CC1(Br)CC1 ZINC000846780583 588287895 /nfs/dbraw/zinc/28/78/95/588287895.db2.gz MMELYTQHGGGQDL-UHFFFAOYSA-N 1 2 249.152 0.982 20 0 BCADLO CC[N@@H+](CC(=O)NC)CC1(Br)CC1 ZINC000846780583 588287896 /nfs/dbraw/zinc/28/78/96/588287896.db2.gz MMELYTQHGGGQDL-UHFFFAOYSA-N 1 2 249.152 0.982 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnsn1 ZINC000846798605 588288821 /nfs/dbraw/zinc/28/88/21/588288821.db2.gz KQGHHWSRXWTJLM-JGVFFNPUSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnsn1 ZINC000846798605 588288822 /nfs/dbraw/zinc/28/88/22/588288822.db2.gz KQGHHWSRXWTJLM-JGVFFNPUSA-N 1 2 240.332 0.624 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1cnsn1)C(N)=O ZINC000846829595 588291375 /nfs/dbraw/zinc/29/13/75/588291375.db2.gz SJAYPXGXDILQPU-SSDOTTSWSA-N 1 2 228.321 0.528 20 0 BCADLO C[N@H+](Cc1cnsn1)CC1(O)CCC1 ZINC000846861483 588294173 /nfs/dbraw/zinc/29/41/73/588294173.db2.gz VPZCSHCRQNLARQ-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[N@@H+](Cc1cnsn1)CC1(O)CCC1 ZINC000846861483 588294174 /nfs/dbraw/zinc/29/41/74/588294174.db2.gz VPZCSHCRQNLARQ-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc2nonc2c1 ZINC000846876321 588294706 /nfs/dbraw/zinc/29/47/06/588294706.db2.gz PQYDXZDCQZOTJL-SNVBAGLBSA-N 1 2 249.270 0.416 20 0 BCADLO OC[C@@H]1COCC[N@H+]1Cc1ccc2nonc2c1 ZINC000846876321 588294707 /nfs/dbraw/zinc/29/47/07/588294707.db2.gz PQYDXZDCQZOTJL-SNVBAGLBSA-N 1 2 249.270 0.416 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnsn1 ZINC000846891316 588295533 /nfs/dbraw/zinc/29/55/33/588295533.db2.gz WZVYYIAPKWITRU-SVRRBLITSA-N 1 2 226.305 0.152 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCOCC23CC3)OC1=O ZINC000846893998 588295773 /nfs/dbraw/zinc/29/57/73/588295773.db2.gz NRRCGDAKNPOCJG-SNVBAGLBSA-N 1 2 240.303 0.692 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCOCC23CC3)OC1=O ZINC000846893998 588295774 /nfs/dbraw/zinc/29/57/74/588295774.db2.gz NRRCGDAKNPOCJG-SNVBAGLBSA-N 1 2 240.303 0.692 20 0 BCADLO CC(=O)C1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000846939920 588297791 /nfs/dbraw/zinc/29/77/91/588297791.db2.gz GHCHZKBEQFEDCK-MRVPVSSYSA-N 1 2 237.307 0.572 20 0 BCADLO CON1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000846978577 588300135 /nfs/dbraw/zinc/30/01/35/588300135.db2.gz MSQITZQWSIYRNR-ZETCQYMHSA-N 1 2 228.214 0.089 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846982533 588300282 /nfs/dbraw/zinc/30/02/82/588300282.db2.gz HZAGNEOVYIBTNM-JTQLQIEISA-N 1 2 229.324 0.080 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cnsn1 ZINC000846984556 588300386 /nfs/dbraw/zinc/30/03/86/588300386.db2.gz RGDUWRSUNCBDQG-RKDXNWHRSA-N 1 2 229.305 0.432 20 0 BCADLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846998757 588301134 /nfs/dbraw/zinc/30/11/34/588301134.db2.gz ZLLNHYOUYDEUJA-MRVPVSSYSA-N 1 2 240.332 0.448 20 0 BCADLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846998757 588301135 /nfs/dbraw/zinc/30/11/35/588301135.db2.gz ZLLNHYOUYDEUJA-MRVPVSSYSA-N 1 2 240.332 0.448 20 0 BCADLO CCCCOC(=O)C(C)(C)[NH2+]CCC(=O)NC ZINC000847065127 588305679 /nfs/dbraw/zinc/30/56/79/588305679.db2.gz QRFKARXZWOUNTP-UHFFFAOYSA-N 1 2 244.335 0.834 20 0 BCADLO CCCCOC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934152 588316862 /nfs/dbraw/zinc/31/68/62/588316862.db2.gz KCRBCTOZRGTIQL-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCCCOC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000106934152 588316863 /nfs/dbraw/zinc/31/68/63/588316863.db2.gz KCRBCTOZRGTIQL-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1(C)C ZINC000848032638 588349041 /nfs/dbraw/zinc/34/90/41/588349041.db2.gz AXBFFZYGKHBUFG-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1(C)C ZINC000848032638 588349043 /nfs/dbraw/zinc/34/90/43/588349043.db2.gz AXBFFZYGKHBUFG-UHFFFAOYSA-N 1 2 249.314 0.993 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000848104645 588356177 /nfs/dbraw/zinc/35/61/77/588356177.db2.gz UKYRQFPIHRXGOL-LBPRGKRZSA-N 1 2 240.303 0.150 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000848116581 588358155 /nfs/dbraw/zinc/35/81/55/588358155.db2.gz QTFKNIJDKNQABK-JTQLQIEISA-N 1 2 217.272 0.903 20 0 BCADLO CCC(CC)(CO)C(=O)NOCC[NH+](C)C ZINC000848159848 588362506 /nfs/dbraw/zinc/36/25/06/588362506.db2.gz KPCMZISSXLWFBG-UHFFFAOYSA-N 1 2 232.324 0.395 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C[C@H](C)OC ZINC000848174886 588365102 /nfs/dbraw/zinc/36/51/02/588365102.db2.gz YAHCTWRJWYDMFU-VIFPVBQESA-N 1 2 225.292 0.944 20 0 BCADLO Cc1ccc(CO[NH+]=C(N)CCO)cn1 ZINC000848511612 588388198 /nfs/dbraw/zinc/38/81/98/588388198.db2.gz ZBQONODXVDZGEO-UHFFFAOYSA-N 1 2 209.249 0.771 20 0 BCADLO CCOCC[N@H+](CC)CCS(C)(=O)=O ZINC000107680738 588399203 /nfs/dbraw/zinc/39/92/03/588399203.db2.gz HRMMYFOYPNJMTI-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO CCOCC[N@@H+](CC)CCS(C)(=O)=O ZINC000107680738 588399204 /nfs/dbraw/zinc/39/92/04/588399204.db2.gz HRMMYFOYPNJMTI-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO CCc1cc(N[C@@H]2COC(=O)C2)nc[nH+]1 ZINC000848708934 588407283 /nfs/dbraw/zinc/40/72/83/588407283.db2.gz HYQLGRYDJFEXCW-QMMMGPOBSA-N 1 2 207.233 0.766 20 0 BCADLO O=C1C[C@H](Nc2cc(-n3cc[nH+]c3)ncn2)CO1 ZINC000848710050 588407591 /nfs/dbraw/zinc/40/75/91/588407591.db2.gz ZJOTYRQRLUFOBE-QMMMGPOBSA-N 1 2 245.242 0.390 20 0 BCADLO Cn1c(C[N@@H+]2CCOC[C@@H](O)C2)cnc1Cl ZINC000848915679 588420006 /nfs/dbraw/zinc/42/00/06/588420006.db2.gz LLXYMVDFIMNUBY-VIFPVBQESA-N 1 2 245.710 0.267 20 0 BCADLO Cn1c(C[N@H+]2CCOC[C@@H](O)C2)cnc1Cl ZINC000848915679 588420007 /nfs/dbraw/zinc/42/00/07/588420007.db2.gz LLXYMVDFIMNUBY-VIFPVBQESA-N 1 2 245.710 0.267 20 0 BCADLO CCONC(=O)CNC(=[NH2+])Nc1ccccn1 ZINC000849048531 588451066 /nfs/dbraw/zinc/45/10/66/588451066.db2.gz IIMSAWSOWSEKEW-UHFFFAOYSA-N 1 2 237.263 0.086 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OCC(=O)N(C)C ZINC000849214022 588461632 /nfs/dbraw/zinc/46/16/32/588461632.db2.gz YKAJNDGWYIWZFW-UHFFFAOYSA-N 1 2 235.287 0.930 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)c2ncnn21 ZINC000849321479 588471897 /nfs/dbraw/zinc/47/18/97/588471897.db2.gz GBKUWNORTFHQSP-UTLUCORTSA-N 1 2 249.318 0.542 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000849321677 588472064 /nfs/dbraw/zinc/47/20/64/588472064.db2.gz JURZFTMPKRGMOL-GARJFASQSA-N 1 2 245.319 0.579 20 0 BCADLO C[C@@H](O)CCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000849747198 588492998 /nfs/dbraw/zinc/49/29/98/588492998.db2.gz IONMZRQCGXYUDY-SECBINFHSA-N 1 2 238.287 0.911 20 0 BCADLO COC[C@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000850200567 588527502 /nfs/dbraw/zinc/52/75/02/588527502.db2.gz CJVBVWLDDIFOLH-JTQLQIEISA-N 1 2 242.275 0.478 20 0 BCADLO COC[C@@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000850203401 588528181 /nfs/dbraw/zinc/52/81/81/588528181.db2.gz PZDUCRHJYPTXIS-SNVBAGLBSA-N 1 2 242.275 0.167 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000885576812 588560472 /nfs/dbraw/zinc/56/04/72/588560472.db2.gz RULFTQXLPVAINZ-NXEZZACHSA-N 1 2 224.260 0.851 20 0 BCADLO CCn1ncc(C[NH+]2CCC(OC)CC2)n1 ZINC000851710431 588615500 /nfs/dbraw/zinc/61/55/00/588615500.db2.gz MHMNOJGIWPMVEV-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000851718243 588616510 /nfs/dbraw/zinc/61/65/10/588616510.db2.gz GKCINEYDZUGNJA-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000851718243 588616511 /nfs/dbraw/zinc/61/65/11/588616511.db2.gz GKCINEYDZUGNJA-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851720188 588617365 /nfs/dbraw/zinc/61/73/65/588617365.db2.gz CGIPZFRMTLTPMH-UHFFFAOYSA-N 1 2 225.248 0.455 20 0 BCADLO COCCC[N@H+](CCOC)Cc1cnon1 ZINC000851732694 588620154 /nfs/dbraw/zinc/62/01/54/588620154.db2.gz AVPPEWRIFMZZLA-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1cnon1 ZINC000851732694 588620155 /nfs/dbraw/zinc/62/01/55/588620155.db2.gz AVPPEWRIFMZZLA-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851741953 588621310 /nfs/dbraw/zinc/62/13/10/588621310.db2.gz PVAAIONKUVRPTI-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851741953 588621311 /nfs/dbraw/zinc/62/13/11/588621311.db2.gz PVAAIONKUVRPTI-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC(=O)O1 ZINC000851745553 588621832 /nfs/dbraw/zinc/62/18/32/588621832.db2.gz IBNMVDWJLFECNC-SECBINFHSA-N 1 2 243.303 0.966 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC(=O)O1 ZINC000851745553 588621833 /nfs/dbraw/zinc/62/18/33/588621833.db2.gz IBNMVDWJLFECNC-SECBINFHSA-N 1 2 243.303 0.966 20 0 BCADLO NC(=O)CC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851746596 588622316 /nfs/dbraw/zinc/62/23/16/588622316.db2.gz ANVMLHABLHHGCM-SECBINFHSA-N 1 2 238.291 0.547 20 0 BCADLO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851746596 588622317 /nfs/dbraw/zinc/62/23/17/588622317.db2.gz ANVMLHABLHHGCM-SECBINFHSA-N 1 2 238.291 0.547 20 0 BCADLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000851747467 588622362 /nfs/dbraw/zinc/62/23/62/588622362.db2.gz UJGCXXKNOCNFAD-JTQLQIEISA-N 1 2 239.275 0.987 20 0 BCADLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cnon1 ZINC000851747467 588622363 /nfs/dbraw/zinc/62/23/63/588622363.db2.gz UJGCXXKNOCNFAD-JTQLQIEISA-N 1 2 239.275 0.987 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOC(F)F ZINC000851749769 588622691 /nfs/dbraw/zinc/62/26/91/588622691.db2.gz MAUNWILEJTYBMI-UHFFFAOYSA-N 1 2 211.208 0.767 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC(=O)O1 ZINC000851769347 588625640 /nfs/dbraw/zinc/62/56/40/588625640.db2.gz RTUUQNMHGAFISD-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC(=O)O1 ZINC000851769347 588625641 /nfs/dbraw/zinc/62/56/41/588625641.db2.gz RTUUQNMHGAFISD-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000851772271 588626012 /nfs/dbraw/zinc/62/60/12/588626012.db2.gz BYTXEGOUDKFXJS-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000851772271 588626013 /nfs/dbraw/zinc/62/60/13/588626013.db2.gz BYTXEGOUDKFXJS-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO COCCOC1CC[NH+](Cc2cnon2)CC1 ZINC000851776342 588626459 /nfs/dbraw/zinc/62/64/59/588626459.db2.gz ODMNAMUKZVLCHD-UHFFFAOYSA-N 1 2 241.291 0.697 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cccc(F)n2)C1=O ZINC000851779350 588627173 /nfs/dbraw/zinc/62/71/73/588627173.db2.gz SIIOROXYNRYOAA-SNVBAGLBSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(F)n2)C1=O ZINC000851779350 588627174 /nfs/dbraw/zinc/62/71/74/588627174.db2.gz SIIOROXYNRYOAA-SNVBAGLBSA-N 1 2 237.278 0.883 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851779434 588627183 /nfs/dbraw/zinc/62/71/83/588627183.db2.gz NACSTUPZBXACLX-LLZONULXSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851779434 588627184 /nfs/dbraw/zinc/62/71/84/588627184.db2.gz NACSTUPZBXACLX-LLZONULXSA-N 1 2 245.344 0.533 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H]1CCC(=O)O1 ZINC000851781282 588627221 /nfs/dbraw/zinc/62/72/21/588627221.db2.gz SFMPVPQZVWBIFZ-SECBINFHSA-N 1 2 210.233 0.812 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H]1CCC(=O)O1 ZINC000851781282 588627222 /nfs/dbraw/zinc/62/72/22/588627222.db2.gz SFMPVPQZVWBIFZ-SECBINFHSA-N 1 2 210.233 0.812 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851804029 588631276 /nfs/dbraw/zinc/63/12/76/588631276.db2.gz ZSRQVUMCWQXBRC-JTQLQIEISA-N 1 2 243.303 0.775 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851804029 588631277 /nfs/dbraw/zinc/63/12/77/588631277.db2.gz ZSRQVUMCWQXBRC-JTQLQIEISA-N 1 2 243.303 0.775 20 0 BCADLO c1nonc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000851816460 588633259 /nfs/dbraw/zinc/63/32/59/588633259.db2.gz HEHHMTYGKJQHSR-VHSXEESVSA-N 1 2 241.316 0.776 20 0 BCADLO c1nonc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000851816460 588633260 /nfs/dbraw/zinc/63/32/60/588633260.db2.gz HEHHMTYGKJQHSR-VHSXEESVSA-N 1 2 241.316 0.776 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC(=O)O1)C(C)(C)C ZINC000851853210 588635299 /nfs/dbraw/zinc/63/52/99/588635299.db2.gz GFPDSNAQWVNCFS-PSASIEDQSA-N 1 2 243.303 0.869 20 0 BCADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cnon1 ZINC000851852915 588635447 /nfs/dbraw/zinc/63/54/47/588635447.db2.gz RESSZPCNIWAVFC-JTQLQIEISA-N 1 2 243.263 0.127 20 0 BCADLO OC[C@]1([NH2+]Cc2cnon2)CCc2ccccc21 ZINC000851859548 588635650 /nfs/dbraw/zinc/63/56/50/588635650.db2.gz UVKQYDFCCPVOMW-CYBMUJFWSA-N 1 2 245.282 0.993 20 0 BCADLO OC[C@@]1([NH2+]Cc2cnon2)CCc2ccccc21 ZINC000851859549 588635853 /nfs/dbraw/zinc/63/58/53/588635853.db2.gz UVKQYDFCCPVOMW-ZDUSSCGKSA-N 1 2 245.282 0.993 20 0 BCADLO C[C@H]1COCC[N@H+](CCc2cnn[nH]2)C1 ZINC000851865231 588636250 /nfs/dbraw/zinc/63/62/50/588636250.db2.gz AWIVVKUBZCTZNE-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO C[C@H]1COCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000851865231 588636251 /nfs/dbraw/zinc/63/62/51/588636251.db2.gz AWIVVKUBZCTZNE-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)c1ccccn1 ZINC000851862609 588636429 /nfs/dbraw/zinc/63/64/29/588636429.db2.gz CAHUMLJLDCTHJT-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@@H](C[N@H+]1CCc2cn[nH]c2C1)c1ccccn1 ZINC000851862609 588636430 /nfs/dbraw/zinc/63/64/30/588636430.db2.gz CAHUMLJLDCTHJT-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2c[nH]nc2C1)c1ccccn1 ZINC000851862609 588636431 /nfs/dbraw/zinc/63/64/31/588636431.db2.gz CAHUMLJLDCTHJT-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@@H](C[N@H+]1CCc2c[nH]nc2C1)c1ccccn1 ZINC000851862609 588636432 /nfs/dbraw/zinc/63/64/32/588636432.db2.gz CAHUMLJLDCTHJT-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO OCCOC1CC[NH+](Cc2cnon2)CC1 ZINC000851869703 588637415 /nfs/dbraw/zinc/63/74/15/588637415.db2.gz OQKYPTDXJGERQK-UHFFFAOYSA-N 1 2 227.264 0.043 20 0 BCADLO CCn1nc(C)c(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000851873819 588638165 /nfs/dbraw/zinc/63/81/65/588638165.db2.gz PFYAPFKTISAYHA-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cccc(F)n1 ZINC000851875940 588638361 /nfs/dbraw/zinc/63/83/61/588638361.db2.gz ZNSRCIKXBCMXOD-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cccc(F)n1 ZINC000851875940 588638362 /nfs/dbraw/zinc/63/83/62/588638362.db2.gz ZNSRCIKXBCMXOD-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@H+](CCC(=O)N1CCCC1)Cc1ncc[nH]1 ZINC000851874067 588638381 /nfs/dbraw/zinc/63/83/81/588638381.db2.gz ZRSCSUKYAIVGAX-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[N@@H+](CCC(=O)N1CCCC1)Cc1ncc[nH]1 ZINC000851874067 588638382 /nfs/dbraw/zinc/63/83/82/588638382.db2.gz ZRSCSUKYAIVGAX-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851880243 588638857 /nfs/dbraw/zinc/63/88/57/588638857.db2.gz QOMXLPJZYXWGBO-SNVBAGLBSA-N 1 2 236.275 0.266 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851880243 588638858 /nfs/dbraw/zinc/63/88/58/588638858.db2.gz QOMXLPJZYXWGBO-SNVBAGLBSA-N 1 2 236.275 0.266 20 0 BCADLO CC(C)N1CC[N@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000851911367 588642914 /nfs/dbraw/zinc/64/29/14/588642914.db2.gz ATIXHSIOPWLNNT-SNVBAGLBSA-N 1 2 240.303 0.245 20 0 BCADLO CC(C)N1CC[N@@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000851911367 588642915 /nfs/dbraw/zinc/64/29/15/588642915.db2.gz ATIXHSIOPWLNNT-SNVBAGLBSA-N 1 2 240.303 0.245 20 0 BCADLO O=C1NC2(CO1)CC[NH+](Cc1cnon1)CC2 ZINC000851924382 588644368 /nfs/dbraw/zinc/64/43/68/588644368.db2.gz ZUVBUTACTJSAHN-UHFFFAOYSA-N 1 2 238.247 0.144 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851927167 588644566 /nfs/dbraw/zinc/64/45/66/588644566.db2.gz HIWVTJSGBILLGX-NXEZZACHSA-N 1 2 245.319 0.925 20 0 BCADLO C[C@@H]([NH2+]Cc1cnon1)c1cnn(C)c1 ZINC000851930865 588644802 /nfs/dbraw/zinc/64/48/02/588644802.db2.gz FJIIFYRASOJBQN-SSDOTTSWSA-N 1 2 207.237 0.654 20 0 BCADLO c1ncn(CC2CC[NH+](Cc3cnon3)CC2)n1 ZINC000851955041 588647422 /nfs/dbraw/zinc/64/74/22/588647422.db2.gz BCARUZJMQICSRR-UHFFFAOYSA-N 1 2 248.290 0.573 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000851956048 588647933 /nfs/dbraw/zinc/64/79/33/588647933.db2.gz BDVNSGRMKMZLPA-MWLCHTKSSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000851956048 588647934 /nfs/dbraw/zinc/64/79/34/588647934.db2.gz BDVNSGRMKMZLPA-MWLCHTKSSA-N 1 2 224.308 0.501 20 0 BCADLO COC(CC[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000851965175 588648307 /nfs/dbraw/zinc/64/83/07/588648307.db2.gz NELZAUVGZYMJDW-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO COC(CC[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000851965175 588648308 /nfs/dbraw/zinc/64/83/08/588648308.db2.gz NELZAUVGZYMJDW-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851966114 588648342 /nfs/dbraw/zinc/64/83/42/588648342.db2.gz YFTSENGGXNNSLE-JTQLQIEISA-N 1 2 227.264 0.307 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851966114 588648343 /nfs/dbraw/zinc/64/83/43/588648343.db2.gz YFTSENGGXNNSLE-JTQLQIEISA-N 1 2 227.264 0.307 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ncn(C)n1 ZINC000851964565 588648361 /nfs/dbraw/zinc/64/83/61/588648361.db2.gz CSEQFXRMNGWHNC-DTWKUNHWSA-N 1 2 240.307 0.617 20 0 BCADLO O=C1NCC2(CC[NH+](Cc3cnon3)CC2)O1 ZINC000851968298 588649058 /nfs/dbraw/zinc/64/90/58/588649058.db2.gz VLWKYGADNCJLSH-UHFFFAOYSA-N 1 2 238.247 0.144 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000851968913 588649317 /nfs/dbraw/zinc/64/93/17/588649317.db2.gz VAZXWHUZPPFZJV-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000851968913 588649318 /nfs/dbraw/zinc/64/93/18/588649318.db2.gz VAZXWHUZPPFZJV-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1C ZINC000851970476 588649584 /nfs/dbraw/zinc/64/95/84/588649584.db2.gz GGXJFLRGOYMGPH-WCBMZHEXSA-N 1 2 211.265 0.926 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1C ZINC000851970476 588649585 /nfs/dbraw/zinc/64/95/85/588649585.db2.gz GGXJFLRGOYMGPH-WCBMZHEXSA-N 1 2 211.265 0.926 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1C ZINC000851970477 588649733 /nfs/dbraw/zinc/64/97/33/588649733.db2.gz GGXJFLRGOYMGPH-WPRPVWTQSA-N 1 2 211.265 0.926 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1C ZINC000851970477 588649734 /nfs/dbraw/zinc/64/97/34/588649734.db2.gz GGXJFLRGOYMGPH-WPRPVWTQSA-N 1 2 211.265 0.926 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)C[C@H](C)[S@@]1=O ZINC000851979985 588651204 /nfs/dbraw/zinc/65/12/04/588651204.db2.gz NFJLRRNFHHCSDM-VTVITOLOSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)C[C@H](C)[S@@]1=O ZINC000851979985 588651205 /nfs/dbraw/zinc/65/12/05/588651205.db2.gz NFJLRRNFHHCSDM-VTVITOLOSA-N 1 2 245.344 0.533 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000852001634 588653937 /nfs/dbraw/zinc/65/39/37/588653937.db2.gz LOECDENBPLBEPC-MRVPVSSYSA-N 1 2 234.246 0.880 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014593 588655295 /nfs/dbraw/zinc/65/52/95/588655295.db2.gz OFAJWZQHLNLKCK-ZJUUUORDSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014593 588655296 /nfs/dbraw/zinc/65/52/96/588655296.db2.gz OFAJWZQHLNLKCK-ZJUUUORDSA-N 1 2 242.319 0.300 20 0 BCADLO CC1(C)OC[C@@H](C[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000852063522 588658476 /nfs/dbraw/zinc/65/84/76/588658476.db2.gz QOMJYADVKJMPFD-KCJUWKMLSA-N 1 2 229.276 0.433 20 0 BCADLO O=C1OCC[C@H]1CCN1CCn2c[nH+]cc2C1 ZINC000852061501 588658540 /nfs/dbraw/zinc/65/85/40/588658540.db2.gz UZRYIYKNQAOFML-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO O=C1OCC[C@H]1CC[N@@H+]1CCn2cncc2C1 ZINC000852061501 588658541 /nfs/dbraw/zinc/65/85/41/588658541.db2.gz UZRYIYKNQAOFML-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO O=C1OCC[C@H]1CC[N@H+]1CCn2cncc2C1 ZINC000852061501 588658542 /nfs/dbraw/zinc/65/85/42/588658542.db2.gz UZRYIYKNQAOFML-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@]1([NH2+]CCOC(F)F)CCOC1=O ZINC000852065902 588658758 /nfs/dbraw/zinc/65/87/58/588658758.db2.gz LFJSUCDEMLTZFV-MRVPVSSYSA-N 1 2 209.192 0.521 20 0 BCADLO CCn1ncc(CN2CCn3c[nH+]cc3C2)n1 ZINC000852065759 588658821 /nfs/dbraw/zinc/65/88/21/588658821.db2.gz MCFVXDTYOQGNDC-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO c1nsnc1CN1CCn2c[nH+]cc2C1 ZINC000852065718 588658979 /nfs/dbraw/zinc/65/89/79/588658979.db2.gz KXPQFJGWWXDJJX-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO CC(C)COC(=O)CN1CCn2c[nH+]cc2C1 ZINC000852065053 588659083 /nfs/dbraw/zinc/65/90/83/588659083.db2.gz HQJFVGLJMQCBCQ-UHFFFAOYSA-N 1 2 237.303 0.898 20 0 BCADLO C[N@H+](C[C@@H]1CCC(=O)O1)[C@H]1CC(C)(C)OC1=O ZINC000852080481 588660626 /nfs/dbraw/zinc/66/06/26/588660626.db2.gz ZWUKJWLWIPRIQT-IUCAKERBSA-N 1 2 241.287 0.718 20 0 BCADLO C[N@@H+](C[C@@H]1CCC(=O)O1)[C@H]1CC(C)(C)OC1=O ZINC000852080481 588660627 /nfs/dbraw/zinc/66/06/27/588660627.db2.gz ZWUKJWLWIPRIQT-IUCAKERBSA-N 1 2 241.287 0.718 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cccc(F)n1 ZINC000852090598 588660802 /nfs/dbraw/zinc/66/08/02/588660802.db2.gz PLAPWKVLAHUIIW-VIFPVBQESA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(F)n1 ZINC000852090598 588660803 /nfs/dbraw/zinc/66/08/03/588660803.db2.gz PLAPWKVLAHUIIW-VIFPVBQESA-N 1 2 241.266 0.153 20 0 BCADLO c1nonc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000852092177 588661232 /nfs/dbraw/zinc/66/12/32/588661232.db2.gz QFOONZHAJXBNLS-UHFFFAOYSA-N 1 2 239.275 0.799 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cc2cnon2)C1 ZINC000852120801 588665007 /nfs/dbraw/zinc/66/50/07/588665007.db2.gz AVPBWTCMOSBNBI-MRVPVSSYSA-N 1 2 219.191 0.272 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cnon2)C1 ZINC000852120801 588665008 /nfs/dbraw/zinc/66/50/08/588665008.db2.gz AVPBWTCMOSBNBI-MRVPVSSYSA-N 1 2 219.191 0.272 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCCCCO)C1 ZINC000852142227 588666967 /nfs/dbraw/zinc/66/69/67/588666967.db2.gz RUHWCKYXKCAXKM-UHFFFAOYSA-N 1 2 249.376 0.658 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)[nH]1 ZINC000852177151 588669638 /nfs/dbraw/zinc/66/96/38/588669638.db2.gz ZTJNELVUOICFKI-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)[nH]1 ZINC000852177151 588669639 /nfs/dbraw/zinc/66/96/39/588669639.db2.gz ZTJNELVUOICFKI-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)n1 ZINC000852177151 588669640 /nfs/dbraw/zinc/66/96/40/588669640.db2.gz ZTJNELVUOICFKI-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)n1 ZINC000852177151 588669641 /nfs/dbraw/zinc/66/96/41/588669641.db2.gz ZTJNELVUOICFKI-SECBINFHSA-N 1 2 247.306 0.231 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000852178644 588670214 /nfs/dbraw/zinc/67/02/14/588670214.db2.gz YQMQLEMNFXFMSU-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000852178644 588670215 /nfs/dbraw/zinc/67/02/15/588670215.db2.gz YQMQLEMNFXFMSU-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO C[N@H+](CCCCCCO)Cc1n[nH]c(=O)o1 ZINC000852189124 588671255 /nfs/dbraw/zinc/67/12/55/588671255.db2.gz WYWATQLWDWXMAP-UHFFFAOYSA-N 1 2 229.280 0.760 20 0 BCADLO C[N@@H+](CCCCCCO)Cc1n[nH]c(=O)o1 ZINC000852189124 588671256 /nfs/dbraw/zinc/67/12/56/588671256.db2.gz WYWATQLWDWXMAP-UHFFFAOYSA-N 1 2 229.280 0.760 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)c1ccccn1 ZINC000852287822 588675856 /nfs/dbraw/zinc/67/58/56/588675856.db2.gz GWSZNIHWHQCFSG-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)c1ccccn1 ZINC000852287822 588675857 /nfs/dbraw/zinc/67/58/57/588675857.db2.gz GWSZNIHWHQCFSG-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1ccccn1 ZINC000852287822 588675858 /nfs/dbraw/zinc/67/58/58/588675858.db2.gz GWSZNIHWHQCFSG-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1ccccn1 ZINC000852287822 588675859 /nfs/dbraw/zinc/67/58/59/588675859.db2.gz GWSZNIHWHQCFSG-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO OCCOCC[N@H+](Cc1cnon1)C1CCC1 ZINC000852289018 588676428 /nfs/dbraw/zinc/67/64/28/588676428.db2.gz IVCIYJQNFUQLSA-UHFFFAOYSA-N 1 2 241.291 0.433 20 0 BCADLO OCCOCC[N@@H+](Cc1cnon1)C1CCC1 ZINC000852289018 588676429 /nfs/dbraw/zinc/67/64/29/588676429.db2.gz IVCIYJQNFUQLSA-UHFFFAOYSA-N 1 2 241.291 0.433 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000852323722 588678807 /nfs/dbraw/zinc/67/88/07/588678807.db2.gz LMKNCQODVRGVHQ-ZYHUDNBSSA-N 1 2 225.288 0.803 20 0 BCADLO C[C@]1(C2CC2)C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000852323722 588678808 /nfs/dbraw/zinc/67/88/08/588678808.db2.gz LMKNCQODVRGVHQ-ZYHUDNBSSA-N 1 2 225.288 0.803 20 0 BCADLO O[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000852413745 588681883 /nfs/dbraw/zinc/68/18/83/588681883.db2.gz DOJVNPICXFPHFB-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000852413745 588681884 /nfs/dbraw/zinc/68/18/84/588681884.db2.gz DOJVNPICXFPHFB-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432986 588682071 /nfs/dbraw/zinc/68/20/71/588682071.db2.gz RQLKMQBUFYXABG-DTWKUNHWSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432986 588682072 /nfs/dbraw/zinc/68/20/72/588682072.db2.gz RQLKMQBUFYXABG-DTWKUNHWSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432985 588682266 /nfs/dbraw/zinc/68/22/66/588682266.db2.gz RQLKMQBUFYXABG-BDAKNGLRSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432985 588682267 /nfs/dbraw/zinc/68/22/67/588682267.db2.gz RQLKMQBUFYXABG-BDAKNGLRSA-N 1 2 242.275 0.074 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000852442362 588682686 /nfs/dbraw/zinc/68/26/86/588682686.db2.gz DEIZJLNYLHTEOA-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000852442362 588682687 /nfs/dbraw/zinc/68/26/87/588682687.db2.gz DEIZJLNYLHTEOA-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1CC[C@H]([N@H+](CCF)CCOC)C1=O ZINC000852479273 588683388 /nfs/dbraw/zinc/68/33/88/588683388.db2.gz FCJFPWFODJJLNL-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CCN1CC[C@H]([N@@H+](CCF)CCOC)C1=O ZINC000852479273 588683389 /nfs/dbraw/zinc/68/33/89/588683389.db2.gz FCJFPWFODJJLNL-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CCN1C[C@@H](C[N@H+](CCF)CCOC)OC1=O ZINC000852480063 588683898 /nfs/dbraw/zinc/68/38/98/588683898.db2.gz NRBVFBVBRFVRLE-SNVBAGLBSA-N 1 2 248.298 0.745 20 0 BCADLO CCN1C[C@@H](C[N@@H+](CCF)CCOC)OC1=O ZINC000852480063 588683899 /nfs/dbraw/zinc/68/38/99/588683899.db2.gz NRBVFBVBRFVRLE-SNVBAGLBSA-N 1 2 248.298 0.745 20 0 BCADLO COCC[N@H+](CCF)CC[S@](C)=O ZINC000852480532 588684289 /nfs/dbraw/zinc/68/42/89/588684289.db2.gz YMVQFAAYAQRQLS-ZDUSSCGKSA-N 1 2 211.302 0.283 20 0 BCADLO COCC[N@@H+](CCF)CC[S@](C)=O ZINC000852480532 588684290 /nfs/dbraw/zinc/68/42/90/588684290.db2.gz YMVQFAAYAQRQLS-ZDUSSCGKSA-N 1 2 211.302 0.283 20 0 BCADLO COCC[N@H+](CCF)CC(=O)N1CCC1 ZINC000852483059 588684563 /nfs/dbraw/zinc/68/45/63/588684563.db2.gz AGUHCMSDTGMANP-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)N1CCC1 ZINC000852483059 588684564 /nfs/dbraw/zinc/68/45/64/588684564.db2.gz AGUHCMSDTGMANP-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO COCC[N@H+](CCF)CCN1CCOC1=O ZINC000852483393 588684787 /nfs/dbraw/zinc/68/47/87/588684787.db2.gz IIEKTDVIKUKFPG-UHFFFAOYSA-N 1 2 234.271 0.357 20 0 BCADLO COCC[N@@H+](CCF)CCN1CCOC1=O ZINC000852483393 588684788 /nfs/dbraw/zinc/68/47/88/588684788.db2.gz IIEKTDVIKUKFPG-UHFFFAOYSA-N 1 2 234.271 0.357 20 0 BCADLO CCC(=O)CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852489134 588685493 /nfs/dbraw/zinc/68/54/93/588685493.db2.gz FZRBERCHYVIVCT-GFCCVEGCSA-N 1 2 240.347 0.762 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1ccon1 ZINC000852569038 588691203 /nfs/dbraw/zinc/69/12/03/588691203.db2.gz ZWIGOLYQAWDTGR-UHFFFAOYSA-N 1 2 227.264 0.805 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1ccon1 ZINC000852569038 588691204 /nfs/dbraw/zinc/69/12/04/588691204.db2.gz ZWIGOLYQAWDTGR-UHFFFAOYSA-N 1 2 227.264 0.805 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000852579339 588691659 /nfs/dbraw/zinc/69/16/59/588691659.db2.gz GMFXTQJJDDSVST-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000852579339 588691660 /nfs/dbraw/zinc/69/16/60/588691660.db2.gz GMFXTQJJDDSVST-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852583743 588692162 /nfs/dbraw/zinc/69/21/62/588692162.db2.gz BGKDUNFRWRKHNX-CIUDSAMLSA-N 1 2 211.261 0.195 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000852650077 588694071 /nfs/dbraw/zinc/69/40/71/588694071.db2.gz FTNOCZRULDGSJD-WCBMZHEXSA-N 1 2 239.275 0.701 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000852650077 588694072 /nfs/dbraw/zinc/69/40/72/588694072.db2.gz FTNOCZRULDGSJD-WCBMZHEXSA-N 1 2 239.275 0.701 20 0 BCADLO C[N@H+](CC1=CCSC1)[C@@H]1CCOC1=O ZINC000852747473 588699330 /nfs/dbraw/zinc/69/93/30/588699330.db2.gz JXRBVLDROWQNNU-SECBINFHSA-N 1 2 213.302 0.907 20 0 BCADLO C[N@@H+](CC1=CCSC1)[C@@H]1CCOC1=O ZINC000852747473 588699331 /nfs/dbraw/zinc/69/93/31/588699331.db2.gz JXRBVLDROWQNNU-SECBINFHSA-N 1 2 213.302 0.907 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cn(C2CC2)nn1 ZINC000860576225 589107175 /nfs/dbraw/zinc/10/71/75/589107175.db2.gz OTTSTUUZXKTCHG-UHFFFAOYSA-N 1 2 247.258 0.704 20 0 BCADLO CC[C@H](NC(=O)[C@@H]1COC(=O)N1)c1[nH]cc[nH+]1 ZINC000860888103 589126240 /nfs/dbraw/zinc/12/62/40/589126240.db2.gz BAHWJYRWAYRQSE-BQBZGAKWSA-N 1 2 238.247 0.085 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cn(C2CC2)nn1 ZINC000861752565 589176339 /nfs/dbraw/zinc/17/63/39/589176339.db2.gz JQWDCLOWAMRTIP-UHFFFAOYSA-N 1 2 246.274 0.277 20 0 BCADLO Cc1ccnn1CC(=O)NCc1c[nH+]cn1C ZINC000861752887 589176621 /nfs/dbraw/zinc/17/66/21/589176621.db2.gz OWDUHGATRANBSX-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO COC/C=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762518 589176999 /nfs/dbraw/zinc/17/69/99/589176999.db2.gz WODLQKGDHBEOEH-NSCUHMNNSA-N 1 2 221.260 0.497 20 0 BCADLO COC/C=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762518 589177000 /nfs/dbraw/zinc/17/70/00/589177000.db2.gz WODLQKGDHBEOEH-NSCUHMNNSA-N 1 2 221.260 0.497 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000861853303 589180578 /nfs/dbraw/zinc/18/05/78/589180578.db2.gz OWXKADNUVFFNPK-UDNWOFFPSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1COCO1 ZINC000861968140 589185739 /nfs/dbraw/zinc/18/57/39/589185739.db2.gz QUVOWXGGBRDRAW-SNVBAGLBSA-N 1 2 239.275 0.152 20 0 BCADLO C[C@@H](CC(=O)NC[C@H]1COCO1)n1cc[nH+]c1 ZINC000861980700 589189256 /nfs/dbraw/zinc/18/92/56/589189256.db2.gz IFHZYJIDOAVWTQ-UWVGGRQHSA-N 1 2 239.275 0.323 20 0 BCADLO C=CC(=O)N(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000862152854 589193131 /nfs/dbraw/zinc/19/31/31/589193131.db2.gz MZQSNPCJKFJSRL-UHFFFAOYSA-N 1 2 236.275 0.013 20 0 BCADLO C=CC(=O)N(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000862152854 589193133 /nfs/dbraw/zinc/19/31/33/589193133.db2.gz MZQSNPCJKFJSRL-UHFFFAOYSA-N 1 2 236.275 0.013 20 0 BCADLO Cc1c[nH]c(CN2CCCC[C@H]2C(N)=O)[nH+]1 ZINC000862213686 589194514 /nfs/dbraw/zinc/19/45/14/589194514.db2.gz SMXYWNBVHPWVTB-VIFPVBQESA-N 1 2 222.292 0.558 20 0 BCADLO O=C1C[N@H+](Cc2cnc(C3CC3)o2)CCCN1 ZINC000862233587 589196117 /nfs/dbraw/zinc/19/61/17/589196117.db2.gz NGORMWCDZYDTIM-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO O=C1C[N@@H+](Cc2cnc(C3CC3)o2)CCCN1 ZINC000862233587 589196119 /nfs/dbraw/zinc/19/61/19/589196119.db2.gz NGORMWCDZYDTIM-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO Cc1[nH]c(CN2CCCNC(=O)C2)[nH+]c1C ZINC000862233465 589196299 /nfs/dbraw/zinc/19/62/99/589196299.db2.gz MEKBSFOUGUMALK-UHFFFAOYSA-N 1 2 222.292 0.348 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000862284406 589199742 /nfs/dbraw/zinc/19/97/42/589199742.db2.gz CHRCHOAJQDAWPB-UHFFFAOYSA-N 1 2 239.275 0.832 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000862337821 589202044 /nfs/dbraw/zinc/20/20/44/589202044.db2.gz XFUVAHYOFLOHPY-VIFPVBQESA-N 1 2 222.292 0.381 20 0 BCADLO Cc1c(F)nccc1C[NH2+]Cc1cnn(C)n1 ZINC000862365773 589204423 /nfs/dbraw/zinc/20/44/23/589204423.db2.gz GHRDKIYSQUKBLR-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO COC(=O)N(C)CCN(C)Cc1[nH]cc(C)[nH+]1 ZINC000862416949 589211354 /nfs/dbraw/zinc/21/13/54/589211354.db2.gz YESKOTGKPNAGBG-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1nc(C)c[nH]1 ZINC000862416949 589211355 /nfs/dbraw/zinc/21/13/55/589211355.db2.gz YESKOTGKPNAGBG-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000862416949 589211356 /nfs/dbraw/zinc/21/13/56/589211356.db2.gz YESKOTGKPNAGBG-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO Cc1[nH]c(CN2CCCN(C=O)CC2)[nH+]c1C ZINC000862417359 589212033 /nfs/dbraw/zinc/21/20/33/589212033.db2.gz AFMDAPVGBBRTCH-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO COC[C@@H]1CCCN1NC(=O)Cn1cc[nH+]c1 ZINC000862590903 589226964 /nfs/dbraw/zinc/22/69/64/589226964.db2.gz OOPXTXQQANIFDM-JTQLQIEISA-N 1 2 238.291 0.025 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969718 589249044 /nfs/dbraw/zinc/24/90/44/589249044.db2.gz IBBLBUQFBWZORS-ZJUUUORDSA-N 1 2 232.299 0.427 20 0 BCADLO CC(C)[C@H](F)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969718 589249045 /nfs/dbraw/zinc/24/90/45/589249045.db2.gz IBBLBUQFBWZORS-ZJUUUORDSA-N 1 2 232.299 0.427 20 0 BCADLO CC(C)OCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862972479 589249804 /nfs/dbraw/zinc/24/98/04/589249804.db2.gz DPFNZERTMQCYBA-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000862972479 589249805 /nfs/dbraw/zinc/24/98/05/589249805.db2.gz DPFNZERTMQCYBA-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969186 589249807 /nfs/dbraw/zinc/24/98/07/589249807.db2.gz BKRYGFRDOYZBBZ-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969186 589249808 /nfs/dbraw/zinc/24/98/08/589249808.db2.gz BKRYGFRDOYZBBZ-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CCCCO1 ZINC000862969679 589249890 /nfs/dbraw/zinc/24/98/90/589249890.db2.gz HIHFGACOJJZESL-SNVBAGLBSA-N 1 2 240.303 0.128 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=CCCCO1 ZINC000862969679 589249891 /nfs/dbraw/zinc/24/98/91/589249891.db2.gz HIHFGACOJJZESL-SNVBAGLBSA-N 1 2 240.303 0.128 20 0 BCADLO C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000862973547 589250124 /nfs/dbraw/zinc/25/01/24/589250124.db2.gz PVASSCZNXQXAAI-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000862973547 589250125 /nfs/dbraw/zinc/25/01/25/589250125.db2.gz PVASSCZNXQXAAI-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H](C)NC(=S)NC[C@H]1COCC[N@@H+]1C ZINC000863227032 589273408 /nfs/dbraw/zinc/27/34/08/589273408.db2.gz ZRRJTSSMEWVXND-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO CC[C@H](C)NC(=S)NC[C@H]1COCC[N@H+]1C ZINC000863227032 589273409 /nfs/dbraw/zinc/27/34/09/589273409.db2.gz ZRRJTSSMEWVXND-UWVGGRQHSA-N 1 2 245.392 0.580 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=S)NC(C)(C)C ZINC000863227022 589273468 /nfs/dbraw/zinc/27/34/68/589273468.db2.gz ZGVUFNATYBRQLL-VIFPVBQESA-N 1 2 245.392 0.580 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=S)NC(C)(C)C ZINC000863227022 589273470 /nfs/dbraw/zinc/27/34/70/589273470.db2.gz ZGVUFNATYBRQLL-VIFPVBQESA-N 1 2 245.392 0.580 20 0 BCADLO C/C=C\CNC(=S)NCC[NH+]1CCOCC1 ZINC000863232825 589273573 /nfs/dbraw/zinc/27/35/73/589273573.db2.gz XFRRPOWERMRRQL-IHWYPQMZSA-N 1 2 243.376 0.359 20 0 BCADLO Cn1ccnc1-c1cc(NC(=O)C[NH+](C)C)n[nH]1 ZINC000119383361 589275485 /nfs/dbraw/zinc/27/54/85/589275485.db2.gz ROQLBONDUUMFAB-UHFFFAOYSA-N 1 2 248.290 0.310 20 0 BCADLO COC(=O)CCCCO[NH+]=C(N)[C@H](C)OC ZINC000863458872 589289851 /nfs/dbraw/zinc/28/98/51/589289851.db2.gz HDYUIOQSJCHUSY-QMMMGPOBSA-N 1 2 232.280 0.863 20 0 BCADLO CNC(=O)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477073 589292142 /nfs/dbraw/zinc/29/21/42/589292142.db2.gz FPTHXWVIUAHMIT-UHFFFAOYSA-N 1 2 229.280 0.190 20 0 BCADLO COCc1nn(C[N@@H+]2CCC(C)(C)C2)c(=O)o1 ZINC000119784173 589333359 /nfs/dbraw/zinc/33/33/59/589333359.db2.gz OKJLPSFGGPODES-UHFFFAOYSA-N 1 2 241.291 0.672 20 0 BCADLO COCc1nn(C[N@H+]2CCC(C)(C)C2)c(=O)o1 ZINC000119784173 589333360 /nfs/dbraw/zinc/33/33/60/589333360.db2.gz OKJLPSFGGPODES-UHFFFAOYSA-N 1 2 241.291 0.672 20 0 BCADLO CON(C)C(=O)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000864090898 589343638 /nfs/dbraw/zinc/34/36/38/589343638.db2.gz LEOJZMNRMFXLAH-QMMMGPOBSA-N 1 2 239.275 0.394 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2COCC[C@H]2O)[nH+]1 ZINC000864092563 589343812 /nfs/dbraw/zinc/34/38/12/589343812.db2.gz PBMHQYSUJIEBQQ-FBIMIBRVSA-N 1 2 238.287 0.697 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCCC1 ZINC000864375992 589356456 /nfs/dbraw/zinc/35/64/56/589356456.db2.gz HJGNORLODQBZHX-VIFPVBQESA-N 1 2 209.249 0.456 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCCCC1 ZINC000864381088 589356742 /nfs/dbraw/zinc/35/67/42/589356742.db2.gz QEGYEMVXFIGEJM-SNVBAGLBSA-N 1 2 223.276 0.846 20 0 BCADLO CCN(CC)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864408598 589359246 /nfs/dbraw/zinc/35/92/46/589359246.db2.gz YQIKJBGYYGVJBV-AATRIKPKSA-N 1 2 226.320 0.743 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CC1 ZINC000864428001 589362037 /nfs/dbraw/zinc/36/20/37/589362037.db2.gz MYCGTGLCJKTKRP-OWOJBTEDSA-N 1 2 210.277 0.153 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NC1CCCC1 ZINC000864431522 589362510 /nfs/dbraw/zinc/36/25/10/589362510.db2.gz SHODCIXUNXMAAW-UTCJRWHESA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H](C1CC1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864688642 589389728 /nfs/dbraw/zinc/38/97/28/589389728.db2.gz FKFSNAXZGIBPMK-XCBNKYQSSA-N 1 2 223.276 0.700 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1CCC1 ZINC000864847637 589398141 /nfs/dbraw/zinc/39/81/41/589398141.db2.gz ZNFSNGDLSHAGSK-DJWKRKHSSA-N 1 2 238.331 0.791 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCSCC1 ZINC000864896094 589399617 /nfs/dbraw/zinc/39/96/17/589399617.db2.gz INLSRZIZOMRGAE-SECBINFHSA-N 1 2 241.316 0.409 20 0 BCADLO C[C@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865095442 589408891 /nfs/dbraw/zinc/40/88/91/589408891.db2.gz NHNMDPXARVDUPC-DLGQBQFBSA-N 1 2 238.331 0.743 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865096391 589408983 /nfs/dbraw/zinc/40/89/83/589408983.db2.gz VPKRFNPOILNXNB-APPZFPTMSA-N 1 2 209.249 0.312 20 0 BCADLO CN(CC(C)(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865120031 589409757 /nfs/dbraw/zinc/40/97/57/589409757.db2.gz COXVOWGKCQPDEQ-SECBINFHSA-N 1 2 225.292 0.948 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865117796 589409867 /nfs/dbraw/zinc/40/98/67/589409867.db2.gz SRQHONQQSNPBPH-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO CO[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865147723 589411210 /nfs/dbraw/zinc/41/12/10/589411210.db2.gz KHBJYNGUIBQETM-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H](O)CNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865402232 589432809 /nfs/dbraw/zinc/43/28/09/589432809.db2.gz UNSGJQUBVLYWQF-SSDOTTSWSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@@H](O)CNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865402232 589432810 /nfs/dbraw/zinc/43/28/10/589432810.db2.gz UNSGJQUBVLYWQF-SSDOTTSWSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@@H](CO)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865430545 589435498 /nfs/dbraw/zinc/43/54/98/589435498.db2.gz XWXPPIOFCIOEHN-ZETCQYMHSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@@H](CO)Nc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865430545 589435499 /nfs/dbraw/zinc/43/54/99/589435499.db2.gz XWXPPIOFCIOEHN-ZETCQYMHSA-N 1 2 237.307 0.904 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2cn(C3CC3)cn2)[nH]1 ZINC000865516923 589442749 /nfs/dbraw/zinc/44/27/49/589442749.db2.gz HNGMDGUUTUDVOM-UHFFFAOYSA-N 1 2 246.318 0.977 20 0 BCADLO COCC=CC(=O)Nc1cc[nH+]cc1C ZINC000865575170 589447760 /nfs/dbraw/zinc/44/77/60/589447760.db2.gz KVCAHISCHNEGPF-ARJAWSKDSA-N 1 2 206.245 0.953 20 0 BCADLO COC/C=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000865598772 589449807 /nfs/dbraw/zinc/44/98/07/589449807.db2.gz MCKDFKWRHGYXES-ONEGZZNKSA-N 1 2 209.249 0.571 20 0 BCADLO CC(C)Cc1cc(NCCn2ncnn2)nc[nH+]1 ZINC000865612073 589450797 /nfs/dbraw/zinc/45/07/97/589450797.db2.gz IGECZFLMYKDTAA-UHFFFAOYSA-N 1 2 247.306 0.774 20 0 BCADLO CC[C@H](C)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865697107 589456931 /nfs/dbraw/zinc/45/69/31/589456931.db2.gz VNEBFRQLWMTHJK-WPRPVWTQSA-N 1 2 225.292 0.948 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)[nH+]c1 ZINC000865710787 589457945 /nfs/dbraw/zinc/45/79/45/589457945.db2.gz CYBXMRPVPVDUEA-XHVZSJERSA-N 1 2 234.299 0.954 20 0 BCADLO C[C@H](O)c1ccc(N2CC(=O)N(C)C[C@H]2C)[nH+]c1 ZINC000865711649 589458058 /nfs/dbraw/zinc/45/80/58/589458058.db2.gz PNCQLMDKEAANLV-ZJUUUORDSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1c(Cl)c(C[NH2+]C[C@H](O)[C@H](C)O)nn1C ZINC000865737893 589459592 /nfs/dbraw/zinc/45/95/92/589459592.db2.gz HDKIXTJRHDYFFI-CBAPKCEASA-N 1 2 247.726 0.213 20 0 BCADLO Cn1nnc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)n1 ZINC000865744258 589460444 /nfs/dbraw/zinc/46/04/44/589460444.db2.gz QISBNJPXVCGXRE-VIFPVBQESA-N 1 2 239.323 0.647 20 0 BCADLO CC(C)Cc1cc(NC[C@](C)(O)CO)nc[nH+]1 ZINC000865749196 589460860 /nfs/dbraw/zinc/46/08/60/589460860.db2.gz PJFOBVPXYPSEQK-LBPRGKRZSA-N 1 2 239.319 0.830 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]c1 ZINC000865823384 589463329 /nfs/dbraw/zinc/46/33/29/589463329.db2.gz GXKDYRSUSTUXCU-OHBODLIOSA-N 1 2 234.299 0.809 20 0 BCADLO COC/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878515 589466874 /nfs/dbraw/zinc/46/68/74/589466874.db2.gz QDOIEUOITQUPEV-NSCUHMNNSA-N 1 2 221.260 0.469 20 0 BCADLO COC/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002219 589472027 /nfs/dbraw/zinc/47/20/27/589472027.db2.gz PCJZDJPLIIRDLA-UFFNRZRYSA-N 1 2 237.303 0.838 20 0 BCADLO Cc1nc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nc(N)[nH+]1 ZINC000866042715 589473614 /nfs/dbraw/zinc/47/36/14/589473614.db2.gz DLHZOKFANPOOFY-SQXHDICFSA-N 1 2 247.302 0.598 20 0 BCADLO Cc1nc(N)nc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[nH+]1 ZINC000866042715 589473615 /nfs/dbraw/zinc/47/36/15/589473615.db2.gz DLHZOKFANPOOFY-SQXHDICFSA-N 1 2 247.302 0.598 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000866108643 589476483 /nfs/dbraw/zinc/47/64/83/589476483.db2.gz CMJXXKZMKSRILJ-PELKAZGASA-N 1 2 233.271 0.205 20 0 BCADLO O=C(c1cnns1)N1CC([NH+]2CCCC2)C1 ZINC000866107385 589476499 /nfs/dbraw/zinc/47/64/99/589476499.db2.gz SNAHMYCSLAIKNK-UHFFFAOYSA-N 1 2 238.316 0.458 20 0 BCADLO CC(C)c1nc(NC[C@@H](O)[C@@H](C)O)cc[nH+]1 ZINC000866108498 589476527 /nfs/dbraw/zinc/47/65/27/589476527.db2.gz HEDJICPEBRYCMJ-RKDXNWHRSA-N 1 2 225.292 0.754 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)[C@H](C)O)[nH+]1 ZINC000866111112 589477121 /nfs/dbraw/zinc/47/71/21/589477121.db2.gz XPUHPJPDGHXIAY-IMTBSYHQSA-N 1 2 236.275 0.420 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866203584 589479898 /nfs/dbraw/zinc/47/98/98/589479898.db2.gz OHKFFZLNZJZABI-IONNQARKSA-N 1 2 209.249 0.454 20 0 BCADLO CCN(CC(C)(C)O)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866322369 589486274 /nfs/dbraw/zinc/48/62/74/589486274.db2.gz ZIGQEKPQPIWLMW-VIFPVBQESA-N 1 2 241.291 0.063 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866336721 589486693 /nfs/dbraw/zinc/48/66/93/589486693.db2.gz GXYFITCZZKJONZ-KHQFGBGNSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000866336723 589486839 /nfs/dbraw/zinc/48/68/39/589486839.db2.gz GXYFITCZZKJONZ-NQMVMOMDSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481586 589496009 /nfs/dbraw/zinc/49/60/09/589496009.db2.gz QXPUZZMSLBTRCL-WPRPVWTQSA-N 1 2 223.276 0.702 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866541527 589500240 /nfs/dbraw/zinc/50/02/40/589500240.db2.gz NYFRVZGAKCYNTC-KHQFGBGNSA-N 1 2 223.276 0.843 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866541528 589500275 /nfs/dbraw/zinc/50/02/75/589500275.db2.gz NYFRVZGAKCYNTC-MRTMQBJTSA-N 1 2 223.276 0.843 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCC2(CC2)C1 ZINC000867479914 589522025 /nfs/dbraw/zinc/52/20/25/589522025.db2.gz WPUGBCSHMMQIGN-SNVBAGLBSA-N 1 2 235.287 0.846 20 0 BCADLO CC(C)CN(C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000867537834 589524912 /nfs/dbraw/zinc/52/49/12/589524912.db2.gz CDAOYFCJDKZLON-NSHDSACASA-N 1 2 243.351 0.303 20 0 BCADLO CC(C)CN(C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000867537834 589524913 /nfs/dbraw/zinc/52/49/13/589524913.db2.gz CDAOYFCJDKZLON-NSHDSACASA-N 1 2 243.351 0.303 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868004666 589543409 /nfs/dbraw/zinc/54/34/09/589543409.db2.gz AWKRQMOYVHGZTF-BLDJZWNYSA-N 1 2 238.331 0.790 20 0 BCADLO CSCCCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868035131 589545121 /nfs/dbraw/zinc/54/51/21/589545121.db2.gz HYUUPVLDURRESJ-VIFPVBQESA-N 1 2 243.332 0.655 20 0 BCADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000868485785 589560934 /nfs/dbraw/zinc/56/09/34/589560934.db2.gz DFRQISKHDHEZCV-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000868577021 589565071 /nfs/dbraw/zinc/56/50/71/589565071.db2.gz LYXQVASXIDJDFT-BHNWBGBOSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)[C@@H]1C ZINC000868577819 589565189 /nfs/dbraw/zinc/56/51/89/589565189.db2.gz SAAJNHCNKLTHAP-OPVGQWETSA-N 1 2 238.331 0.742 20 0 BCADLO C[C@@H](F)CCNC(=O)NCc1c[nH+]cn1C ZINC000868650279 589569626 /nfs/dbraw/zinc/56/96/26/589569626.db2.gz CXEBRDMXRXXXFY-MRVPVSSYSA-N 1 2 228.271 0.967 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@H](F)C1 ZINC000868635487 589569861 /nfs/dbraw/zinc/56/98/61/589569861.db2.gz LDPHHMBMKNKQPV-BVBSBALXSA-N 1 2 242.294 0.445 20 0 BCADLO C[C@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)O ZINC000868663006 589571595 /nfs/dbraw/zinc/57/15/95/589571595.db2.gz FGBYLKZVFJPMQX-IONNQARKSA-N 1 2 241.291 0.061 20 0 BCADLO CC/C=C/CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868678615 589572597 /nfs/dbraw/zinc/57/25/97/589572597.db2.gz AYKCFMUCDIQRSF-VNKDHWASSA-N 1 2 238.331 0.957 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CS2 ZINC000868855544 589579957 /nfs/dbraw/zinc/57/99/57/589579957.db2.gz FKRMINVWMHOMET-ZKWXMUAHSA-N 1 2 239.300 0.159 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868897291 589581919 /nfs/dbraw/zinc/58/19/19/589581919.db2.gz OSNIDEAFRCDMGG-PKIKSRDPSA-N 1 2 237.303 0.946 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](F)C1 ZINC000869169527 589591634 /nfs/dbraw/zinc/59/16/34/589591634.db2.gz QFLVRVIRMMHKIS-IONNQARKSA-N 1 2 227.239 0.404 20 0 BCADLO CC12CC(C1)CN2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869332025 589599158 /nfs/dbraw/zinc/59/91/58/589599158.db2.gz QLIJRBIJLQENRE-DMGUCSGOSA-N 1 2 221.260 0.454 20 0 BCADLO CS[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000871092782 589724077 /nfs/dbraw/zinc/72/40/77/589724077.db2.gz IXLJVRQNQTUWIT-KYZUINATSA-N 1 2 225.317 0.893 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC ZINC000871630329 589779084 /nfs/dbraw/zinc/77/90/84/589779084.db2.gz YTNZGLZEBJHEEO-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC ZINC000871630329 589779087 /nfs/dbraw/zinc/77/90/87/589779087.db2.gz YTNZGLZEBJHEEO-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCc1ccnn1C ZINC000871734268 589801319 /nfs/dbraw/zinc/80/13/19/589801319.db2.gz CGGOQAADCHNDCQ-QMMMGPOBSA-N 1 2 226.280 0.496 20 0 BCADLO NC(CCO)=[NH+]O[C@H]1CCN(C2CCC2)C1=O ZINC000871742227 589802500 /nfs/dbraw/zinc/80/25/00/589802500.db2.gz KZYZOCVCTSFDBV-VIFPVBQESA-N 1 2 241.291 0.021 20 0 BCADLO NC(COC1CCC1)=[NH+]OCC(=O)NC1CC1 ZINC000871776672 589813924 /nfs/dbraw/zinc/81/39/24/589813924.db2.gz SZFLWKXMJZTAJF-UHFFFAOYSA-N 1 2 241.291 0.333 20 0 BCADLO CC[C@H](O[NH+]=C(N)COC1CCC1)C(N)=O ZINC000871778566 589814121 /nfs/dbraw/zinc/81/41/21/589814121.db2.gz NUSFKXWKJOOWJG-QMMMGPOBSA-N 1 2 229.280 0.318 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)O[C@H](C)C1=O ZINC000871782028 589816624 /nfs/dbraw/zinc/81/66/24/589816624.db2.gz VRRSHLBWDITIGE-SSDOTTSWSA-N 1 2 236.227 0.958 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@@H](O)CCC(C)C)C1 ZINC000871992344 589854442 /nfs/dbraw/zinc/85/44/42/589854442.db2.gz XCJLIYLUPOGLBU-JTQLQIEISA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)(C)c1cn(CCC(=O)NC(N)=O)c[nH+]1 ZINC000871989826 589854958 /nfs/dbraw/zinc/85/49/58/589854958.db2.gz ULFGAWQKHYPOPJ-UHFFFAOYSA-N 1 2 238.291 0.766 20 0 BCADLO Cc1nonc1C[NH2+][C@@H](C)c1ccnn1C ZINC000872137292 589878782 /nfs/dbraw/zinc/87/87/82/589878782.db2.gz RWNZGRGOJZXJIG-QMMMGPOBSA-N 1 2 221.264 0.962 20 0 BCADLO CC[NH2+]Cc1noc([C@@H]2CC[C@@H]2C(=O)OC)n1 ZINC000872170586 589887817 /nfs/dbraw/zinc/88/78/17/589887817.db2.gz GMKRQKXCGNSRKY-SFYZADRCSA-N 1 2 239.275 0.846 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872198258 589889543 /nfs/dbraw/zinc/88/95/43/589889543.db2.gz MMVRNDODJKVESV-SNVBAGLBSA-N 1 2 227.308 0.330 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)O)n1 ZINC000872200210 589890141 /nfs/dbraw/zinc/89/01/41/589890141.db2.gz XCRYTMPVPIPGRX-CBAPKCEASA-N 1 2 243.307 0.551 20 0 BCADLO Cc1conc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000872251502 589900429 /nfs/dbraw/zinc/90/04/29/589900429.db2.gz KZEMJSIHTYDZBC-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1conc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000872251502 589900430 /nfs/dbraw/zinc/90/04/30/589900430.db2.gz KZEMJSIHTYDZBC-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)[C@@H]2CCOC2=O)C1=O ZINC000872263021 589902379 /nfs/dbraw/zinc/90/23/79/589902379.db2.gz HKKSLQFBCSBKGN-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)[C@@H]2CCOC2=O)C1=O ZINC000872263021 589902381 /nfs/dbraw/zinc/90/23/81/589902381.db2.gz HKKSLQFBCSBKGN-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268767 589902693 /nfs/dbraw/zinc/90/26/93/589902693.db2.gz JRTCITCPVLNPLM-YUMQZZPRSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268767 589902695 /nfs/dbraw/zinc/90/26/95/589902695.db2.gz JRTCITCPVLNPLM-YUMQZZPRSA-N 1 2 235.230 0.658 20 0 BCADLO CO[C@@H](C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872301614 589908077 /nfs/dbraw/zinc/90/80/77/589908077.db2.gz KOHLRCJZRDYSAI-JTQLQIEISA-N 1 2 249.314 0.895 20 0 BCADLO Cc1cc(N2CCC3(CCNC3=O)CC2)nc[nH+]1 ZINC000872639799 589957893 /nfs/dbraw/zinc/95/78/93/589957893.db2.gz VLHLIPGDQOJPTP-UHFFFAOYSA-N 1 2 246.314 0.892 20 0 BCADLO Cn1cnn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872784507 589970596 /nfs/dbraw/zinc/97/05/96/589970596.db2.gz BZVOYGIMRNPPOQ-DTORHVGOSA-N 1 2 240.332 0.487 20 0 BCADLO Cn1cnn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872784507 589970597 /nfs/dbraw/zinc/97/05/97/589970597.db2.gz BZVOYGIMRNPPOQ-DTORHVGOSA-N 1 2 240.332 0.487 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnc(N)cn2)[C@H](C(N)=O)C1 ZINC000873208470 589993570 /nfs/dbraw/zinc/99/35/70/589993570.db2.gz OGOBRFZMRFZXMK-WPRPVWTQSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnc(N)cn2)[C@H](C(N)=O)C1 ZINC000873208470 589993572 /nfs/dbraw/zinc/99/35/72/589993572.db2.gz OGOBRFZMRFZXMK-WPRPVWTQSA-N 1 2 249.318 0.145 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CCC(=O)N1 ZINC000873507681 590051310 /nfs/dbraw/zinc/05/13/10/590051310.db2.gz CQSIRUXPHXBOCS-NSHDSACASA-N 1 2 237.259 0.132 20 0 BCADLO C[C@@H](O)c1ccc(N(C)C[C@H](C)O)[nH+]c1 ZINC000124935399 590102854 /nfs/dbraw/zinc/10/28/54/590102854.db2.gz ANNJKAAMWQFQDS-DTWKUNHWSA-N 1 2 210.277 0.952 20 0 BCADLO C[C@@H](O)c1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC000124936768 590103207 /nfs/dbraw/zinc/10/32/07/590103207.db2.gz IWOFRVQFXNLQDL-SCZZXKLOSA-N 1 2 208.261 0.706 20 0 BCADLO CCONC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000124986408 590107110 /nfs/dbraw/zinc/10/71/10/590107110.db2.gz JYWYDTPKDKWAIR-ZJUUUORDSA-N 1 2 245.323 0.346 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1C ZINC000874699593 590124328 /nfs/dbraw/zinc/12/43/28/590124328.db2.gz SOIGKTXWNONVIR-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]1C ZINC000874699593 590124329 /nfs/dbraw/zinc/12/43/29/590124329.db2.gz SOIGKTXWNONVIR-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC=CC1 ZINC000875592054 590166247 /nfs/dbraw/zinc/16/62/47/590166247.db2.gz VRQPKLQFIDLVIR-UHFFFAOYSA-N 1 2 206.249 0.502 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ncccn1 ZINC000888674744 590166862 /nfs/dbraw/zinc/16/68/62/590166862.db2.gz JZWFUBIYMUYWCQ-VIFPVBQESA-N 1 2 246.274 0.883 20 0 BCADLO O=C(N[C@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875728898 590169675 /nfs/dbraw/zinc/16/96/75/590169675.db2.gz GIPRUFZNYNANEJ-UWVGGRQHSA-N 1 2 232.287 0.826 20 0 BCADLO O=C(N[C@@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875728901 590169761 /nfs/dbraw/zinc/16/97/61/590169761.db2.gz GIPRUFZNYNANEJ-ZJUUUORDSA-N 1 2 232.287 0.826 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)Nc2ncccn2)c1 ZINC000888704304 590189651 /nfs/dbraw/zinc/18/96/51/590189651.db2.gz QJFDQIOUSTXIPZ-UHFFFAOYSA-N 1 2 246.274 0.574 20 0 BCADLO CN(CCF)C(=O)NCc1c[nH+]cn1C ZINC000876305123 590194219 /nfs/dbraw/zinc/19/42/19/590194219.db2.gz CEKYPTLTWHSBLC-UHFFFAOYSA-N 1 2 214.244 0.531 20 0 BCADLO CC[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H](C)O ZINC000876305429 590194285 /nfs/dbraw/zinc/19/42/85/590194285.db2.gz IGSYJIHPRKHCOH-SCZZXKLOSA-N 1 2 240.307 0.379 20 0 BCADLO COc1cnc(F)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000876589890 590219397 /nfs/dbraw/zinc/21/93/97/590219397.db2.gz QKBWJRVHIHVLJB-VIFPVBQESA-N 1 2 226.251 0.796 20 0 BCADLO COc1cnc(F)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000876589890 590219399 /nfs/dbraw/zinc/21/93/99/590219399.db2.gz QKBWJRVHIHVLJB-VIFPVBQESA-N 1 2 226.251 0.796 20 0 BCADLO CCCn1cc(C[N@H+](C)CC[C@H](C)O)nn1 ZINC000876746775 590237187 /nfs/dbraw/zinc/23/71/87/590237187.db2.gz WSYDEGXGFJXUOL-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC[C@H](C)O)nn1 ZINC000876746775 590237189 /nfs/dbraw/zinc/23/71/89/590237189.db2.gz WSYDEGXGFJXUOL-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CS(=O)(=O)CC[NH2+]Cc1cc(C2CC2)no1 ZINC000876977445 590264026 /nfs/dbraw/zinc/26/40/26/590264026.db2.gz YHMVAXWDNNDHSC-UHFFFAOYSA-N 1 2 244.316 0.686 20 0 BCADLO COc1cnc(F)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000877323112 590317349 /nfs/dbraw/zinc/31/73/49/590317349.db2.gz IPTXKVRBNQEXPZ-UHFFFAOYSA-N 1 2 239.250 0.337 20 0 BCADLO CCCn1cc(C[N@H+](C)CC2(CO)CC2)nn1 ZINC000877462736 590332264 /nfs/dbraw/zinc/33/22/64/590332264.db2.gz ULHRFEMJNVTGAU-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC2(CO)CC2)nn1 ZINC000877462736 590332268 /nfs/dbraw/zinc/33/22/68/590332268.db2.gz ULHRFEMJNVTGAU-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1cc(C[NH+]2CC3(C2)CCOC3)nn1 ZINC000877554277 590357055 /nfs/dbraw/zinc/35/70/55/590357055.db2.gz GRUJLXLLURNMCV-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CC[C@@H](C)[C@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596761 590369746 /nfs/dbraw/zinc/36/97/46/590369746.db2.gz SLUIMEXSTWCWIS-ZJUUUORDSA-N 1 2 242.319 0.842 20 0 BCADLO CO[C@H](CC(C)C)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000877596819 590369804 /nfs/dbraw/zinc/36/98/04/590369804.db2.gz UNCLURHUJRBNDP-SNVBAGLBSA-N 1 2 242.319 0.842 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1ncc(C)o1 ZINC000877606848 590372088 /nfs/dbraw/zinc/37/20/88/590372088.db2.gz MUYMQTPHJJUPIT-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000877613540 590373572 /nfs/dbraw/zinc/37/35/72/590373572.db2.gz LPRQQPZNHYITNU-SFYZADRCSA-N 1 2 218.322 0.538 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)nn1 ZINC000877631724 590377695 /nfs/dbraw/zinc/37/76/95/590377695.db2.gz UJMPFFFMZHXCCR-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)nn1 ZINC000877631724 590377698 /nfs/dbraw/zinc/37/76/98/590377698.db2.gz UJMPFFFMZHXCCR-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000877661312 590386873 /nfs/dbraw/zinc/38/68/73/590386873.db2.gz YZXFUWSNIWAHTD-MRVPVSSYSA-N 1 2 227.264 0.481 20 0 BCADLO COC(=O)C1CC([NH2+]Cc2csnn2)C1 ZINC000877721208 590401109 /nfs/dbraw/zinc/40/11/09/590401109.db2.gz JMUXMQHEOOXRIM-UHFFFAOYSA-N 1 2 227.289 0.579 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000877749604 590412515 /nfs/dbraw/zinc/41/25/15/590412515.db2.gz YYHDEIGHJUWLEO-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000877749604 590412516 /nfs/dbraw/zinc/41/25/16/590412516.db2.gz YYHDEIGHJUWLEO-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1O ZINC000877749601 590413682 /nfs/dbraw/zinc/41/36/82/590413682.db2.gz YTYROQTVJHUVQS-NEPJUHHUSA-N 1 2 247.298 0.490 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1O ZINC000877749601 590413685 /nfs/dbraw/zinc/41/36/85/590413685.db2.gz YTYROQTVJHUVQS-NEPJUHHUSA-N 1 2 247.298 0.490 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@]2(C)CCCS2)C1 ZINC000877770615 590419145 /nfs/dbraw/zinc/41/91/45/590419145.db2.gz HMRHNVDTBBAKCO-JTQLQIEISA-N 1 2 245.344 0.492 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877770165 590421396 /nfs/dbraw/zinc/42/13/96/590421396.db2.gz BETQAORGXRVHLH-NXEZZACHSA-N 1 2 245.319 0.267 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1cncnc1 ZINC000877780657 590423664 /nfs/dbraw/zinc/42/36/64/590423664.db2.gz XRESTQSFIHQUHZ-JTQLQIEISA-N 1 2 225.317 0.386 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1cncnc1 ZINC000877780657 590423666 /nfs/dbraw/zinc/42/36/66/590423666.db2.gz XRESTQSFIHQUHZ-JTQLQIEISA-N 1 2 225.317 0.386 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1cncnc1 ZINC000877780658 590423779 /nfs/dbraw/zinc/42/37/79/590423779.db2.gz XRESTQSFIHQUHZ-SNVBAGLBSA-N 1 2 225.317 0.386 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1cncnc1 ZINC000877780658 590423781 /nfs/dbraw/zinc/42/37/81/590423781.db2.gz XRESTQSFIHQUHZ-SNVBAGLBSA-N 1 2 225.317 0.386 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@@H+](CC3(F)CC3)C[C@@H]2C1 ZINC000877790863 590424047 /nfs/dbraw/zinc/42/40/47/590424047.db2.gz OOHKPPLFDHFGKF-VHSXEESVSA-N 1 2 247.335 0.855 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@H+](CC3(F)CC3)C[C@@H]2C1 ZINC000877790863 590424048 /nfs/dbraw/zinc/42/40/48/590424048.db2.gz OOHKPPLFDHFGKF-VHSXEESVSA-N 1 2 247.335 0.855 20 0 BCADLO Cn1nnnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000877781493 590424440 /nfs/dbraw/zinc/42/44/40/590424440.db2.gz JITIRTJMVBSQDO-UHFFFAOYSA-N 1 2 247.306 0.313 20 0 BCADLO Cc1ncccc1C[N@H+](C)CCS(N)(=O)=O ZINC000877826979 590429546 /nfs/dbraw/zinc/42/95/46/590429546.db2.gz JJQDLQOJQGVCPD-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1ncccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826979 590429548 /nfs/dbraw/zinc/42/95/48/590429548.db2.gz JJQDLQOJQGVCPD-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cn1ccn2c(C[NH+]3CCCCC3)nnc2c1=O ZINC000877945064 590454675 /nfs/dbraw/zinc/45/46/75/590454675.db2.gz KVTROXVITMPDJN-UHFFFAOYSA-N 1 2 247.302 0.414 20 0 BCADLO O=c1[nH]ccn2c(C[NH+]3CCCCC3)nnc12 ZINC000877945087 590454867 /nfs/dbraw/zinc/45/48/67/590454867.db2.gz LFIYOCWSPQWHOC-UHFFFAOYSA-N 1 2 233.275 0.404 20 0 BCADLO CN1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1=O ZINC000878126415 590501585 /nfs/dbraw/zinc/50/15/85/590501585.db2.gz XCJKHNHEDVQNLL-WOPDTQHZSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1=O ZINC000878126415 590501587 /nfs/dbraw/zinc/50/15/87/590501587.db2.gz XCJKHNHEDVQNLL-WOPDTQHZSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nccn1CC(F)F ZINC000878129296 590503107 /nfs/dbraw/zinc/50/31/07/590503107.db2.gz MXCBXNRONMXXOI-MRVPVSSYSA-N 1 2 233.262 0.961 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878129296 590503110 /nfs/dbraw/zinc/50/31/10/590503110.db2.gz MXCBXNRONMXXOI-MRVPVSSYSA-N 1 2 233.262 0.961 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COC1CC1 ZINC000878217045 590524792 /nfs/dbraw/zinc/52/47/92/590524792.db2.gz WKONYUURPXLCNB-VIFPVBQESA-N 1 2 223.276 0.567 20 0 BCADLO CC[C@@H](C)[N@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878234028 590527641 /nfs/dbraw/zinc/52/76/41/590527641.db2.gz QYCUGFPQZAQQPM-JDNHERCYSA-N 1 2 249.380 0.818 20 0 BCADLO CC[C@@H](C)[N@@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878234028 590527642 /nfs/dbraw/zinc/52/76/42/590527642.db2.gz QYCUGFPQZAQQPM-JDNHERCYSA-N 1 2 249.380 0.818 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000878283472 590533012 /nfs/dbraw/zinc/53/30/12/590533012.db2.gz JGAIKOXYGSFZDV-UHFFFAOYSA-N 1 2 239.319 0.628 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC2(C1)OCCO2 ZINC000878283472 590533013 /nfs/dbraw/zinc/53/30/13/590533013.db2.gz JGAIKOXYGSFZDV-UHFFFAOYSA-N 1 2 239.319 0.628 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nccn1CC(F)F ZINC000878298255 590537035 /nfs/dbraw/zinc/53/70/35/590537035.db2.gz VTQFPAQJLDZYSW-QMMMGPOBSA-N 1 2 233.262 0.961 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nccn1CC(F)F ZINC000878298255 590537037 /nfs/dbraw/zinc/53/70/37/590537037.db2.gz VTQFPAQJLDZYSW-QMMMGPOBSA-N 1 2 233.262 0.961 20 0 BCADLO COC(=O)[C@@]1([NH2+]C[C@H]2C[C@@H](OC)C2)CCOC1 ZINC000878334089 590548484 /nfs/dbraw/zinc/54/84/84/590548484.db2.gz OCOLWPPCKKJLTI-JFGNBEQYSA-N 1 2 243.303 0.333 20 0 BCADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccccn1 ZINC000878481716 590576737 /nfs/dbraw/zinc/57/67/37/590576737.db2.gz GJYIFCAMMXEZFT-MFKMUULPSA-N 1 2 247.298 0.334 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccccn1 ZINC000878481716 590576739 /nfs/dbraw/zinc/57/67/39/590576739.db2.gz GJYIFCAMMXEZFT-MFKMUULPSA-N 1 2 247.298 0.334 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000878500965 590580517 /nfs/dbraw/zinc/58/05/17/590580517.db2.gz KBUUEWRJUZRWEH-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000878500965 590580519 /nfs/dbraw/zinc/58/05/19/590580519.db2.gz KBUUEWRJUZRWEH-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO CC[C@]1([NH2+]CC(=O)N=S(C)(C)=O)CCOC1 ZINC000878502653 590582017 /nfs/dbraw/zinc/58/20/17/590582017.db2.gz DUWIMWBXWAHZEZ-JTQLQIEISA-N 1 2 248.348 0.399 20 0 BCADLO CC(=O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000878507623 590583081 /nfs/dbraw/zinc/58/30/81/590583081.db2.gz YQNJEVQLSDJBEV-ZETCQYMHSA-N 1 2 209.253 0.248 20 0 BCADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1nncn1C ZINC000878618673 590597147 /nfs/dbraw/zinc/59/71/47/590597147.db2.gz DKNDYSMKFKCWSN-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1nncn1C ZINC000878618673 590597149 /nfs/dbraw/zinc/59/71/49/590597149.db2.gz DKNDYSMKFKCWSN-JTQLQIEISA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)[C@H](O)CC[N@H+](C)Cc1nncn1C ZINC000878618674 590597411 /nfs/dbraw/zinc/59/74/11/590597411.db2.gz DKNDYSMKFKCWSN-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1nncn1C ZINC000878618674 590597412 /nfs/dbraw/zinc/59/74/12/590597412.db2.gz DKNDYSMKFKCWSN-SNVBAGLBSA-N 1 2 226.324 0.654 20 0 BCADLO C[C@@]1([NH2+]C[C@@H]2CCc3ncnn32)CCOC1=O ZINC000878633239 590598399 /nfs/dbraw/zinc/59/83/99/590598399.db2.gz WKIGOIZJNSGNDZ-GZMMTYOYSA-N 1 2 236.275 0.061 20 0 BCADLO CC(C)[C@@H](O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000878633219 590598434 /nfs/dbraw/zinc/59/84/34/590598434.db2.gz WFTXANOIQJSQLC-ONGXEEELSA-N 1 2 215.293 0.689 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000878661311 590604846 /nfs/dbraw/zinc/60/48/46/590604846.db2.gz BNUDDAKJQKHHAM-JTQLQIEISA-N 1 2 228.292 0.738 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000878661311 590604848 /nfs/dbraw/zinc/60/48/48/590604848.db2.gz BNUDDAKJQKHHAM-JTQLQIEISA-N 1 2 228.292 0.738 20 0 BCADLO O[C@]1(C(F)F)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000878670700 590607326 /nfs/dbraw/zinc/60/73/26/590607326.db2.gz ZRDYDHUXWQRKEQ-SECBINFHSA-N 1 2 217.219 0.612 20 0 BCADLO O[C@]1(C(F)F)CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000878670700 590607328 /nfs/dbraw/zinc/60/73/28/590607328.db2.gz ZRDYDHUXWQRKEQ-SECBINFHSA-N 1 2 217.219 0.612 20 0 BCADLO CC[C@H]1CN(CC)CC[N@@H+]1CCn1cnnn1 ZINC000878682992 590609030 /nfs/dbraw/zinc/60/90/30/590609030.db2.gz UWCCECAYCGQRFA-NSHDSACASA-N 1 2 238.339 0.089 20 0 BCADLO CC[C@H]1CN(CC)CC[N@H+]1CCn1cnnn1 ZINC000878682992 590609032 /nfs/dbraw/zinc/60/90/32/590609032.db2.gz UWCCECAYCGQRFA-NSHDSACASA-N 1 2 238.339 0.089 20 0 BCADLO CON1CC[NH+](Cc2nccnc2C)CC1 ZINC000878685678 590609202 /nfs/dbraw/zinc/60/92/02/590609202.db2.gz LPJMMYKMBJDUIM-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO Cc1conc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000878757541 590618460 /nfs/dbraw/zinc/61/84/60/590618460.db2.gz OGBLFSYOXRAKHX-UHFFFAOYSA-N 1 2 209.249 0.290 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)COC1CC1 ZINC000878770528 590620364 /nfs/dbraw/zinc/62/03/64/590620364.db2.gz ZGEDWPGQWOQQAO-UHFFFAOYSA-N 1 2 206.245 0.929 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C(=O)N1 ZINC000878792140 590623107 /nfs/dbraw/zinc/62/31/07/590623107.db2.gz WVMGBOQFXNLOTD-MRVPVSSYSA-N 1 2 228.679 0.620 20 0 BCADLO O=C1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C(=O)N1 ZINC000878792140 590623108 /nfs/dbraw/zinc/62/31/08/590623108.db2.gz WVMGBOQFXNLOTD-MRVPVSSYSA-N 1 2 228.679 0.620 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000878798910 590625031 /nfs/dbraw/zinc/62/50/31/590625031.db2.gz ZJTVIIYOCPHWAF-JBLDHEPKSA-N 1 2 249.314 0.884 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H](O)CC(C)(C)O)n1 ZINC000878848227 590633326 /nfs/dbraw/zinc/63/33/26/590633326.db2.gz LCZIUOLVINYDSR-SECBINFHSA-N 1 2 243.307 0.332 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H](O)CC(C)(C)O)n1 ZINC000878848227 590633329 /nfs/dbraw/zinc/63/33/29/590633329.db2.gz LCZIUOLVINYDSR-SECBINFHSA-N 1 2 243.307 0.332 20 0 BCADLO CO[C@H]1C[N@H+](CC[C@@H]2CCOC2=O)CCO1 ZINC000878965995 590661850 /nfs/dbraw/zinc/66/18/50/590661850.db2.gz BWPNGKFWMYLZIV-NXEZZACHSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@H]1C[N@@H+](CC[C@@H]2CCOC2=O)CCO1 ZINC000878965995 590661852 /nfs/dbraw/zinc/66/18/52/590661852.db2.gz BWPNGKFWMYLZIV-NXEZZACHSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000878969659 590663141 /nfs/dbraw/zinc/66/31/41/590663141.db2.gz ZMOORQJOOLWCIV-NWDGAFQWSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000878969659 590663142 /nfs/dbraw/zinc/66/31/42/590663142.db2.gz ZMOORQJOOLWCIV-NWDGAFQWSA-N 1 2 238.287 0.420 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000878967351 590663794 /nfs/dbraw/zinc/66/37/94/590663794.db2.gz RWWFHZCUZAXKPM-NSHDSACASA-N 1 2 225.292 0.533 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000878967351 590663800 /nfs/dbraw/zinc/66/38/00/590663800.db2.gz RWWFHZCUZAXKPM-NSHDSACASA-N 1 2 225.292 0.533 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975549 590666130 /nfs/dbraw/zinc/66/61/30/590666130.db2.gz FFIZYYUIUMWUAO-QLJPJBMISA-N 1 2 239.344 0.992 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975549 590666132 /nfs/dbraw/zinc/66/61/32/590666132.db2.gz FFIZYYUIUMWUAO-QLJPJBMISA-N 1 2 239.344 0.992 20 0 BCADLO c1nnnn1CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878977863 590666285 /nfs/dbraw/zinc/66/62/85/590666285.db2.gz MTOFPAZNEFYQAK-JTQLQIEISA-N 1 2 245.290 0.300 20 0 BCADLO c1nnnn1CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878977863 590666287 /nfs/dbraw/zinc/66/62/87/590666287.db2.gz MTOFPAZNEFYQAK-JTQLQIEISA-N 1 2 245.290 0.300 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCOC2=O)cc[nH+]1 ZINC000879069375 590692586 /nfs/dbraw/zinc/69/25/86/590692586.db2.gz MNUYGNYRPOZYPU-VIFPVBQESA-N 1 2 235.243 0.249 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCOC1=O ZINC000879074086 590693535 /nfs/dbraw/zinc/69/35/35/590693535.db2.gz XNGDUWGFEUVKRF-VIFPVBQESA-N 1 2 235.243 0.249 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCC(C)=O ZINC000879153595 590704750 /nfs/dbraw/zinc/70/47/50/590704750.db2.gz IBKYPWVZAUTTGN-JQWIXIFHSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCC(C)=O ZINC000879153595 590704752 /nfs/dbraw/zinc/70/47/52/590704752.db2.gz IBKYPWVZAUTTGN-JQWIXIFHSA-N 1 2 243.303 0.618 20 0 BCADLO Cc1nnc(N2CC[NH+](CCF)CC2)n1C ZINC000879190918 590712411 /nfs/dbraw/zinc/71/24/11/590712411.db2.gz HJOCQGBTOFSBFT-UHFFFAOYSA-N 1 2 227.287 0.215 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319609 590741175 /nfs/dbraw/zinc/74/11/75/590741175.db2.gz AYLVFRZIXIYGAU-JGVFFNPUSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319609 590741180 /nfs/dbraw/zinc/74/11/80/590741180.db2.gz AYLVFRZIXIYGAU-JGVFFNPUSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cnn(C)n2)C1 ZINC000879325824 590745734 /nfs/dbraw/zinc/74/57/34/590745734.db2.gz ODRHBTXPVYHGKY-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cnn(C)n2)C1 ZINC000879325824 590745736 /nfs/dbraw/zinc/74/57/36/590745736.db2.gz ODRHBTXPVYHGKY-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1cnc[nH]1)CC1CC1 ZINC000879485538 590779090 /nfs/dbraw/zinc/77/90/90/590779090.db2.gz GDPRZJDWCCBWRD-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO NC(=O)[C@@H](C1CC1)[N@H+](Cc1cnc[nH]1)CC1CC1 ZINC000879485538 590779093 /nfs/dbraw/zinc/77/90/93/590779093.db2.gz GDPRZJDWCCBWRD-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO COC(=O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486310 590779609 /nfs/dbraw/zinc/77/96/09/590779609.db2.gz LLHWNPHXGGGRDY-NSHDSACASA-N 1 2 240.303 0.135 20 0 BCADLO COC(=O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486310 590779612 /nfs/dbraw/zinc/77/96/12/590779612.db2.gz LLHWNPHXGGGRDY-NSHDSACASA-N 1 2 240.303 0.135 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611286 590830489 /nfs/dbraw/zinc/83/04/89/590830489.db2.gz DZDYDEXAMHUDFZ-AEJSXWLSSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611286 590830492 /nfs/dbraw/zinc/83/04/92/590830492.db2.gz DZDYDEXAMHUDFZ-AEJSXWLSSA-N 1 2 245.319 0.144 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879612845 590831108 /nfs/dbraw/zinc/83/11/08/590831108.db2.gz QJHQSPUVXMTQKK-HLTSFMKQSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879612845 590831111 /nfs/dbraw/zinc/83/11/11/590831111.db2.gz QJHQSPUVXMTQKK-HLTSFMKQSA-N 1 2 241.291 0.121 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)o1 ZINC000879616560 590832692 /nfs/dbraw/zinc/83/26/92/590832692.db2.gz WRQCAFCEJXDATJ-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)o1 ZINC000879616560 590832693 /nfs/dbraw/zinc/83/26/93/590832693.db2.gz WRQCAFCEJXDATJ-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621212 590833990 /nfs/dbraw/zinc/83/39/90/590833990.db2.gz BDSQBRZGTYSWEA-IUCAKERBSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621212 590833995 /nfs/dbraw/zinc/83/39/95/590833995.db2.gz BDSQBRZGTYSWEA-IUCAKERBSA-N 1 2 239.323 0.364 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879622117 590836353 /nfs/dbraw/zinc/83/63/53/590836353.db2.gz HKQJWNXTQSBWPW-VHSXEESVSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@@H]([N@H+]2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879622117 590836356 /nfs/dbraw/zinc/83/63/56/590836356.db2.gz HKQJWNXTQSBWPW-VHSXEESVSA-N 1 2 242.319 0.242 20 0 BCADLO CC1(C)C[C@@H](O)C[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879623684 590836570 /nfs/dbraw/zinc/83/65/70/590836570.db2.gz XPOJKALPRXFELX-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879623684 590836572 /nfs/dbraw/zinc/83/65/72/590836572.db2.gz XPOJKALPRXFELX-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO CCON(CC)CC[NH+]1CCOCC1 ZINC000879795540 590874255 /nfs/dbraw/zinc/87/42/55/590874255.db2.gz AFRDYKQXIDAPNS-UHFFFAOYSA-N 1 2 202.298 0.592 20 0 BCADLO CCOCC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879942698 590893215 /nfs/dbraw/zinc/89/32/15/590893215.db2.gz PKBVVKCOUJUGRG-HNNXBMFYSA-N 1 2 235.353 0.232 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CC[S@@](C)=O ZINC000879981889 590903531 /nfs/dbraw/zinc/90/35/31/590903531.db2.gz WINZZSJNFWMWCS-QLJPJBMISA-N 1 2 247.360 0.686 20 0 BCADLO COCC[N@H+](CCC(C)=O)CC(=O)N(C)C ZINC000128133451 590911127 /nfs/dbraw/zinc/91/11/27/590911127.db2.gz KHXVRBFRAQYHPP-UHFFFAOYSA-N 1 2 230.308 0.002 20 0 BCADLO COCC[N@@H+](CCC(C)=O)CC(=O)N(C)C ZINC000128133451 590911131 /nfs/dbraw/zinc/91/11/31/590911131.db2.gz KHXVRBFRAQYHPP-UHFFFAOYSA-N 1 2 230.308 0.002 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880045374 590913797 /nfs/dbraw/zinc/91/37/97/590913797.db2.gz LLMRMBSBEDISAO-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880045374 590913799 /nfs/dbraw/zinc/91/37/99/590913799.db2.gz LLMRMBSBEDISAO-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136927 590939077 /nfs/dbraw/zinc/93/90/77/590939077.db2.gz VCNORUSEZFBNPL-BDAKNGLRSA-N 1 2 237.307 0.179 20 0 BCADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136927 590939078 /nfs/dbraw/zinc/93/90/78/590939078.db2.gz VCNORUSEZFBNPL-BDAKNGLRSA-N 1 2 237.307 0.179 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000880158354 590947044 /nfs/dbraw/zinc/94/70/44/590947044.db2.gz HUVQTMOTOYMAIX-VIFPVBQESA-N 1 2 221.260 0.623 20 0 BCADLO C[C@H](C(=O)Nc1cccc2[nH]nnc21)[NH+](C)C ZINC000880196250 590956944 /nfs/dbraw/zinc/95/69/44/590956944.db2.gz KFNWGFAPIKFKMV-SSDOTTSWSA-N 1 2 233.275 0.847 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880237441 590968295 /nfs/dbraw/zinc/96/82/95/590968295.db2.gz WNMBOHNMOSIYHX-SSDOTTSWSA-N 1 2 214.244 0.692 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880237441 590968297 /nfs/dbraw/zinc/96/82/97/590968297.db2.gz WNMBOHNMOSIYHX-SSDOTTSWSA-N 1 2 214.244 0.692 20 0 BCADLO Cc1cc(CNC(=O)c2nnn(C)n2)cc(C)[nH+]1 ZINC000880320250 591003506 /nfs/dbraw/zinc/00/35/06/591003506.db2.gz FQCJJWVKNTXBIB-UHFFFAOYSA-N 1 2 246.274 0.152 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C1CCOCC1 ZINC000880339128 591008285 /nfs/dbraw/zinc/00/82/85/591008285.db2.gz JCBPNZFDVNXBQA-KOLCDFICSA-N 1 2 245.319 0.579 20 0 BCADLO CC(C)NC(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880363744 591010259 /nfs/dbraw/zinc/01/02/59/591010259.db2.gz FPYOUMFPZJYLBG-UHFFFAOYSA-N 1 2 248.330 0.970 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ncnn1C ZINC000880427095 591031917 /nfs/dbraw/zinc/03/19/17/591031917.db2.gz BDTQJJIVTWUKRZ-NXEZZACHSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1ncnn1C ZINC000880427095 591031920 /nfs/dbraw/zinc/03/19/20/591031920.db2.gz BDTQJJIVTWUKRZ-NXEZZACHSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1noc(C)n1 ZINC000880426329 591032616 /nfs/dbraw/zinc/03/26/16/591032616.db2.gz SQRQSOMKIRAXMC-UWVGGRQHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1noc(C)n1 ZINC000880426329 591032621 /nfs/dbraw/zinc/03/26/21/591032621.db2.gz SQRQSOMKIRAXMC-UWVGGRQHSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1csnn1 ZINC000880437662 591040791 /nfs/dbraw/zinc/04/07/91/591040791.db2.gz OUYXKPJDZHCNEI-ZJUUUORDSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1csnn1 ZINC000880437662 591040793 /nfs/dbraw/zinc/04/07/93/591040793.db2.gz OUYXKPJDZHCNEI-ZJUUUORDSA-N 1 2 243.332 0.774 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cnsn1 ZINC000880444764 591046276 /nfs/dbraw/zinc/04/62/76/591046276.db2.gz YMEXMYSZLHZVTF-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cnsn1 ZINC000880444764 591046277 /nfs/dbraw/zinc/04/62/77/591046277.db2.gz YMEXMYSZLHZVTF-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880485493 591058768 /nfs/dbraw/zinc/05/87/68/591058768.db2.gz DLKCMCLQQJSNJH-JTQLQIEISA-N 1 2 233.333 0.042 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CC=C[C@H]1CO ZINC000880485493 591058773 /nfs/dbraw/zinc/05/87/73/591058773.db2.gz DLKCMCLQQJSNJH-JTQLQIEISA-N 1 2 233.333 0.042 20 0 BCADLO COC(=O)c1coc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880486069 591060349 /nfs/dbraw/zinc/06/03/49/591060349.db2.gz KNQODNGEVORTAO-SNVBAGLBSA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1coc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880486069 591060353 /nfs/dbraw/zinc/06/03/53/591060353.db2.gz KNQODNGEVORTAO-SNVBAGLBSA-N 1 2 237.255 0.799 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC=C[C@H]1CO ZINC000880486179 591061886 /nfs/dbraw/zinc/06/18/86/591061886.db2.gz LJFBAIFTPKQEAH-ZJUUUORDSA-N 1 2 213.277 0.561 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CC=C[C@H]1CO ZINC000880486179 591061890 /nfs/dbraw/zinc/06/18/90/591061890.db2.gz LJFBAIFTPKQEAH-ZJUUUORDSA-N 1 2 213.277 0.561 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cccc(F)n1 ZINC000880491423 591068192 /nfs/dbraw/zinc/06/81/92/591068192.db2.gz JDPFJRAQLACUQY-SNVBAGLBSA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cccc(F)n1 ZINC000880491423 591068195 /nfs/dbraw/zinc/06/81/95/591068195.db2.gz JDPFJRAQLACUQY-SNVBAGLBSA-N 1 2 208.236 0.953 20 0 BCADLO COc1nccc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880492385 591068715 /nfs/dbraw/zinc/06/87/15/591068715.db2.gz QXRGKGRENBSOAO-SNVBAGLBSA-N 1 2 221.260 0.218 20 0 BCADLO COc1nccc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880492385 591068719 /nfs/dbraw/zinc/06/87/19/591068719.db2.gz QXRGKGRENBSOAO-SNVBAGLBSA-N 1 2 221.260 0.218 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000880494862 591073621 /nfs/dbraw/zinc/07/36/21/591073621.db2.gz UZVJVEUUUYRUTJ-ZDUSSCGKSA-N 1 2 233.315 0.952 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000880494862 591073624 /nfs/dbraw/zinc/07/36/24/591073624.db2.gz UZVJVEUUUYRUTJ-ZDUSSCGKSA-N 1 2 233.315 0.952 20 0 BCADLO c1[nH]nnc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880500503 591077095 /nfs/dbraw/zinc/07/70/95/591077095.db2.gz AXMRNYIWJKCFJS-MNOVXSKESA-N 1 2 222.292 0.996 20 0 BCADLO c1n[nH]nc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880500503 591077101 /nfs/dbraw/zinc/07/71/01/591077101.db2.gz AXMRNYIWJKCFJS-MNOVXSKESA-N 1 2 222.292 0.996 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880514532 591083025 /nfs/dbraw/zinc/08/30/25/591083025.db2.gz BORRHGVGVXMQCU-FOGDFJRCSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000880562429 591093447 /nfs/dbraw/zinc/09/34/47/591093447.db2.gz LMAALTSPBAWRTC-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ncc(C)o2)C1 ZINC000880562429 591093443 /nfs/dbraw/zinc/09/34/43/591093443.db2.gz LMAALTSPBAWRTC-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nocc2C)C1 ZINC000880567755 591097137 /nfs/dbraw/zinc/09/71/37/591097137.db2.gz NLSBWLZJFRSIFQ-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nocc2C)C1 ZINC000880567755 591097143 /nfs/dbraw/zinc/09/71/43/591097143.db2.gz NLSBWLZJFRSIFQ-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC(C)C ZINC000880588046 591102278 /nfs/dbraw/zinc/10/22/78/591102278.db2.gz QOWOMPWUCBKYLH-JTQLQIEISA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC(C)C ZINC000880588046 591102280 /nfs/dbraw/zinc/10/22/80/591102280.db2.gz QOWOMPWUCBKYLH-JTQLQIEISA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1cc[nH]n1 ZINC000880590026 591103929 /nfs/dbraw/zinc/10/39/29/591103929.db2.gz JSKLLICJCWSZFP-JTQLQIEISA-N 1 2 224.308 0.742 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1cc[nH]n1 ZINC000880590026 591103933 /nfs/dbraw/zinc/10/39/33/591103933.db2.gz JSKLLICJCWSZFP-JTQLQIEISA-N 1 2 224.308 0.742 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCc2ncncc2C1 ZINC000880594666 591105116 /nfs/dbraw/zinc/10/51/16/591105116.db2.gz HYLZHMAXRLECOK-KMKOMSMNSA-N 1 2 247.298 0.954 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCc2ncncc2C1 ZINC000880594666 591105118 /nfs/dbraw/zinc/10/51/18/591105118.db2.gz HYLZHMAXRLECOK-KMKOMSMNSA-N 1 2 247.298 0.954 20 0 BCADLO c1ncc2c(n1)CC[N@H+](C[C@H]1COCCO1)C2 ZINC000880599626 591107725 /nfs/dbraw/zinc/10/77/25/591107725.db2.gz NSKGTPHZCAXPOB-NSHDSACASA-N 1 2 235.287 0.250 20 0 BCADLO c1ncc2c(n1)CC[N@@H+](C[C@H]1COCCO1)C2 ZINC000880599626 591107724 /nfs/dbraw/zinc/10/77/24/591107724.db2.gz NSKGTPHZCAXPOB-NSHDSACASA-N 1 2 235.287 0.250 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC1CC1 ZINC000880656420 591120297 /nfs/dbraw/zinc/12/02/97/591120297.db2.gz HWTZCPJCTVPTPE-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC1CC1 ZINC000880656420 591120299 /nfs/dbraw/zinc/12/02/99/591120299.db2.gz HWTZCPJCTVPTPE-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000888832862 591127016 /nfs/dbraw/zinc/12/70/16/591127016.db2.gz QBXMNRJBIXWKQJ-OUAUKWLOSA-N 1 2 246.314 0.859 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000880727338 591129092 /nfs/dbraw/zinc/12/90/92/591129092.db2.gz KNYAYSUAEPJAEK-SSDOTTSWSA-N 1 2 237.328 0.746 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000880727338 591129094 /nfs/dbraw/zinc/12/90/94/591129094.db2.gz KNYAYSUAEPJAEK-SSDOTTSWSA-N 1 2 237.328 0.746 20 0 BCADLO C[C@H](C(=O)NC1CSC1)[NH+]1CCSCC1 ZINC000880732739 591133013 /nfs/dbraw/zinc/13/30/13/591133013.db2.gz QAKMGYZDPJZATG-MRVPVSSYSA-N 1 2 246.401 0.655 20 0 BCADLO CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880809589 591143324 /nfs/dbraw/zinc/14/33/24/591143324.db2.gz AVDOWLHRCHUQJH-UHFFFAOYSA-N 1 2 209.253 0.080 20 0 BCADLO CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880809589 591143321 /nfs/dbraw/zinc/14/33/21/591143321.db2.gz AVDOWLHRCHUQJH-UHFFFAOYSA-N 1 2 209.253 0.080 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000128728333 591156850 /nfs/dbraw/zinc/15/68/50/591156850.db2.gz ANBCCDMWILQTHW-UHFFFAOYSA-N 1 2 207.155 0.631 20 0 BCADLO Cc1ccc(Cn2cc(CON)nn2)c(C)[nH+]1 ZINC000881326831 591192595 /nfs/dbraw/zinc/19/25/95/591192595.db2.gz AQSJEZRKTHWUNS-UHFFFAOYSA-N 1 2 233.275 0.729 20 0 BCADLO OC1(c2cn(CCn3cc[nH+]c3)nn2)CCC1 ZINC000881345390 591193871 /nfs/dbraw/zinc/19/38/71/591193871.db2.gz PJFRJZKPXJZUNA-UHFFFAOYSA-N 1 2 233.275 0.546 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881672043 591263418 /nfs/dbraw/zinc/26/34/18/591263418.db2.gz RYIDFJDMKRCGJP-GHMZBOCLSA-N 1 2 244.310 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881672043 591263420 /nfs/dbraw/zinc/26/34/20/591263420.db2.gz RYIDFJDMKRCGJP-GHMZBOCLSA-N 1 2 244.310 0.525 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2CC(=O)N(C)C2)c1C ZINC000881895985 591277105 /nfs/dbraw/zinc/27/71/05/591277105.db2.gz MGBMMADZSTUJNH-VIFPVBQESA-N 1 2 220.276 0.736 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](O)c2cnn(C)c2)c1C ZINC000882019318 591288365 /nfs/dbraw/zinc/28/83/65/591288365.db2.gz MALINZGKDMEQHR-LLVKDONJSA-N 1 2 247.302 0.972 20 0 BCADLO Cc1[nH+]cnc(N(C)CC(C)(CO)CO)c1C ZINC000882115156 591299806 /nfs/dbraw/zinc/29/98/06/591299806.db2.gz YLAOQALOXLBLBX-UHFFFAOYSA-N 1 2 239.319 0.521 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1cc[nH+]cc1F ZINC000882239575 591319898 /nfs/dbraw/zinc/31/98/98/591319898.db2.gz ZQKKRBGMXOBFGH-QMMMGPOBSA-N 1 2 223.251 0.888 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2C[C@]2(O)C1 ZINC000882340225 591333752 /nfs/dbraw/zinc/33/37/52/591333752.db2.gz QSZQOBGAIZAKQW-ZANVPECISA-N 1 2 243.266 0.541 20 0 BCADLO Cc1[nH+]cnc(NC[C@H]2CCN(C(N)=O)C2)c1C ZINC000882350493 591337302 /nfs/dbraw/zinc/33/73/02/591337302.db2.gz FAOIDFOGMAEWLX-SNVBAGLBSA-N 1 2 249.318 0.906 20 0 BCADLO CCCNc1cc(NCC(=O)NC2CC2)nc[nH+]1 ZINC000129611251 591340331 /nfs/dbraw/zinc/34/03/31/591340331.db2.gz OCSZLQGUNPZVBY-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CCCNc1cc(NCC(=O)NC2CC2)[nH+]cn1 ZINC000129611251 591340335 /nfs/dbraw/zinc/34/03/35/591340335.db2.gz OCSZLQGUNPZVBY-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO COc1nccc(CNc2cc(CO)cc[nH+]2)n1 ZINC000882407117 591344342 /nfs/dbraw/zinc/34/43/42/591344342.db2.gz DPUKTSIBDDOMIY-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO Cc1[nH+]cnc(NC[C@H]2CNC(=O)C2)c1C ZINC000882452665 591351218 /nfs/dbraw/zinc/35/12/18/591351218.db2.gz POPVPTPUCUXCQG-SECBINFHSA-N 1 2 220.276 0.641 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@H](O)[C@H](CO)C2)c1C ZINC000882466592 591353403 /nfs/dbraw/zinc/35/34/03/591353403.db2.gz BPAMEKROAZQBAZ-WDEREUQCSA-N 1 2 237.303 0.273 20 0 BCADLO Cc1[nH+]cnc(NCc2n[nH]c(=O)n2C)c1C ZINC000882570395 591392791 /nfs/dbraw/zinc/39/27/91/591392791.db2.gz YXLSSTORLYTSJJ-UHFFFAOYSA-N 1 2 234.263 0.540 20 0 BCADLO COC(=O)N(C)CCNc1cc(CO)cc[nH+]1 ZINC000882623235 591401164 /nfs/dbraw/zinc/40/11/64/591401164.db2.gz PGZIYDXTASGQPH-UHFFFAOYSA-N 1 2 239.275 0.684 20 0 BCADLO Cc1[nH+]cnc(NCc2nc(N(C)C)n[nH]2)c1C ZINC000882673863 591408778 /nfs/dbraw/zinc/40/87/78/591408778.db2.gz DXYIPWFAGGNJML-UHFFFAOYSA-N 1 2 247.306 0.890 20 0 BCADLO S=C1OCCN1C[N@@H+]1CCOC2(CCC2)C1 ZINC000129844899 591415296 /nfs/dbraw/zinc/41/52/96/591415296.db2.gz LEUNCTATYZFXKK-UHFFFAOYSA-N 1 2 242.344 0.816 20 0 BCADLO S=C1OCCN1C[N@H+]1CCOC2(CCC2)C1 ZINC000129844899 591415298 /nfs/dbraw/zinc/41/52/98/591415298.db2.gz LEUNCTATYZFXKK-UHFFFAOYSA-N 1 2 242.344 0.816 20 0 BCADLO COC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(N)=O ZINC000130211916 591449131 /nfs/dbraw/zinc/44/91/31/591449131.db2.gz LRPHJRHPPKMPIJ-QMMMGPOBSA-N 1 2 238.291 0.512 20 0 BCADLO C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C)[nH+]c1 ZINC000213267065 591457240 /nfs/dbraw/zinc/45/72/40/591457240.db2.gz VFBLNWZJMDACNX-DTWKUNHWSA-N 1 2 235.287 0.460 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]CC(=O)N(C)C)n1 ZINC000882880314 591461765 /nfs/dbraw/zinc/46/17/65/591461765.db2.gz MDJDMWCHAYNQIZ-UHFFFAOYSA-N 1 2 224.308 0.711 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011047 591511643 /nfs/dbraw/zinc/51/16/43/591511643.db2.gz IPZQHDYWPCCATG-YUMQZZPRSA-N 1 2 231.296 0.170 20 0 BCADLO Cc1ncc(CO[NH+]=C(N)CO)s1 ZINC000883011057 591511665 /nfs/dbraw/zinc/51/16/65/591511665.db2.gz JBCYHBUGRFCHBI-UHFFFAOYSA-N 1 2 201.251 0.442 20 0 BCADLO C[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000130689904 591500592 /nfs/dbraw/zinc/50/05/92/591500592.db2.gz ZAASQAATIKGJJQ-VIFPVBQESA-N 1 2 210.281 0.271 20 0 BCADLO C[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000130689904 591500594 /nfs/dbraw/zinc/50/05/94/591500594.db2.gz ZAASQAATIKGJJQ-VIFPVBQESA-N 1 2 210.281 0.271 20 0 BCADLO COC(=O)[C@@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000883000512 591503620 /nfs/dbraw/zinc/50/36/20/591503620.db2.gz DKBJUNJGRJUTMO-LLVKDONJSA-N 1 2 240.234 0.335 20 0 BCADLO CN(C(=O)CO[NH+]=C(N)CO)c1ccccc1 ZINC000883009682 591509907 /nfs/dbraw/zinc/50/99/07/591509907.db2.gz PSGQBDRNJBSEBN-UHFFFAOYSA-N 1 2 237.259 0.140 20 0 BCADLO C[C@@H](O[NH+]=C(N)CO)C(=O)N1CCCCCC1 ZINC000883010261 591510462 /nfs/dbraw/zinc/51/04/62/591510462.db2.gz JLFKXKMAJBRBJC-SECBINFHSA-N 1 2 243.307 0.268 20 0 BCADLO NC(CO)=[NH+]OCc1cccc2c1OCCO2 ZINC000883011438 591511351 /nfs/dbraw/zinc/51/13/51/591511351.db2.gz VJXIUAOEPXSUFQ-UHFFFAOYSA-N 1 2 238.243 0.449 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883010897 591511592 /nfs/dbraw/zinc/51/15/92/591511592.db2.gz DJOHLMZZIYRKGZ-SSDOTTSWSA-N 1 2 231.296 0.170 20 0 BCADLO NC(CO)=[NH+]OCc1cccc(Cl)n1 ZINC000883012095 591512413 /nfs/dbraw/zinc/51/24/13/591512413.db2.gz SYFHXDNETZGMHG-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO Cc1cc(N2CCC[C@@H]3CCNC(=O)[C@@H]32)nc[nH+]1 ZINC000883022272 591518518 /nfs/dbraw/zinc/51/85/18/591518518.db2.gz RCIKMQHTXDJNCU-ZYHUDNBSSA-N 1 2 246.314 0.890 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@@H](C)O ZINC000131124064 591557092 /nfs/dbraw/zinc/55/70/92/591557092.db2.gz RBPAYNYHNHIANZ-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000131124064 591557093 /nfs/dbraw/zinc/55/70/93/591557093.db2.gz RBPAYNYHNHIANZ-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cncnc1 ZINC000131444426 591609260 /nfs/dbraw/zinc/60/92/60/591609260.db2.gz XABOOSHAKCIGPK-LLVKDONJSA-N 1 2 234.303 0.433 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000131444426 591609261 /nfs/dbraw/zinc/60/92/61/591609261.db2.gz XABOOSHAKCIGPK-LLVKDONJSA-N 1 2 234.303 0.433 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C=C(\C)C(=O)OC ZINC000214596219 591635519 /nfs/dbraw/zinc/63/55/19/591635519.db2.gz PBPRKHRZIKUEQH-RMKNXTFCSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000214596219 591635522 /nfs/dbraw/zinc/63/55/22/591635522.db2.gz PBPRKHRZIKUEQH-RMKNXTFCSA-N 1 2 228.292 0.174 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)CC(=O)N(C)C ZINC000214594966 591635864 /nfs/dbraw/zinc/63/58/64/591635864.db2.gz YUBAOWHTXQJGOL-TWGQIWQCSA-N 1 2 228.292 0.126 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)CC(=O)N(C)C ZINC000214594966 591635868 /nfs/dbraw/zinc/63/58/68/591635868.db2.gz YUBAOWHTXQJGOL-TWGQIWQCSA-N 1 2 228.292 0.126 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)CC(=O)NC1CC1 ZINC000214620722 591675971 /nfs/dbraw/zinc/67/59/71/591675971.db2.gz SAEJCZSSOAMGRI-TWGQIWQCSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)CC(=O)NC1CC1 ZINC000214620722 591675973 /nfs/dbraw/zinc/67/59/73/591675973.db2.gz SAEJCZSSOAMGRI-TWGQIWQCSA-N 1 2 240.303 0.316 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](CF)C1 ZINC000883652305 591710056 /nfs/dbraw/zinc/71/00/56/591710056.db2.gz JVMXWKIWKKEUTI-VIFPVBQESA-N 1 2 240.282 0.921 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1C[C@H]2C[C@@]2(O)C1 ZINC000883717748 591725647 /nfs/dbraw/zinc/72/56/47/591725647.db2.gz PXYLHUFKHREFPF-KBVBSXBZSA-N 1 2 248.286 0.104 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000889330416 591764810 /nfs/dbraw/zinc/76/48/10/591764810.db2.gz ADICNBALUPWNKE-RKDXNWHRSA-N 1 2 223.276 0.588 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000889334465 591774723 /nfs/dbraw/zinc/77/47/23/591774723.db2.gz OUTLCWYYYHHHGT-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000889334462 591774956 /nfs/dbraw/zinc/77/49/56/591774956.db2.gz OUTLCWYYYHHHGT-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO CCn1cc(C[N@@H+]2CCCO[C@@H](C)C2)nn1 ZINC000883999570 591790475 /nfs/dbraw/zinc/79/04/75/591790475.db2.gz KCCUVZLSVUUWQR-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000883999570 591790478 /nfs/dbraw/zinc/79/04/78/591790478.db2.gz KCCUVZLSVUUWQR-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+](C)CCn2cccn2)nn1 ZINC000884002532 591792096 /nfs/dbraw/zinc/79/20/96/591792096.db2.gz LMFLVQHRWPLXEQ-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO CCn1cc(C[N@@H+](C)CCn2cccn2)nn1 ZINC000884002532 591792098 /nfs/dbraw/zinc/79/20/98/591792098.db2.gz LMFLVQHRWPLXEQ-UHFFFAOYSA-N 1 2 234.307 0.627 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096903 591821687 /nfs/dbraw/zinc/82/16/87/591821687.db2.gz IWYNGPYRXHGBAV-MXWKQRLJSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096903 591821690 /nfs/dbraw/zinc/82/16/90/591821690.db2.gz IWYNGPYRXHGBAV-MXWKQRLJSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)c2cc[nH]n2)CCO1 ZINC000800134112 591826738 /nfs/dbraw/zinc/82/67/38/591826738.db2.gz BZECCUIUKWTTIL-VIFPVBQESA-N 1 2 239.275 0.287 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)c2cc[nH]n2)CCO1 ZINC000800134112 591826735 /nfs/dbraw/zinc/82/67/35/591826735.db2.gz BZECCUIUKWTTIL-VIFPVBQESA-N 1 2 239.275 0.287 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000800171582 591831081 /nfs/dbraw/zinc/83/10/81/591831081.db2.gz OHMUNALRSASQHS-ZETCQYMHSA-N 1 2 235.230 0.848 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000800171582 591831083 /nfs/dbraw/zinc/83/10/83/591831083.db2.gz OHMUNALRSASQHS-ZETCQYMHSA-N 1 2 235.230 0.848 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccnc(F)c1 ZINC000134489979 591931924 /nfs/dbraw/zinc/93/19/24/591931924.db2.gz RKHFOXFNAZMCGW-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO CCc1nc(NC[C@@](C)(O)CO)cc[nH+]1 ZINC000884494398 591956061 /nfs/dbraw/zinc/95/60/61/591956061.db2.gz SBNVMAQPPFCUCJ-SNVBAGLBSA-N 1 2 211.265 0.194 20 0 BCADLO CCc1nc(NC[C@](C)(O)CO)cc[nH+]1 ZINC000884494397 591956177 /nfs/dbraw/zinc/95/61/77/591956177.db2.gz SBNVMAQPPFCUCJ-JTQLQIEISA-N 1 2 211.265 0.194 20 0 BCADLO CCc1nc(N[C@@H]2COC[C@@H]2OC)cc[nH+]1 ZINC000884528292 591967316 /nfs/dbraw/zinc/96/73/16/591967316.db2.gz KUMRIMKPTUQTCR-BDAKNGLRSA-N 1 2 223.276 0.865 20 0 BCADLO CCc1nc(N2CC3(C2)CNC(=O)O3)cc[nH+]1 ZINC000884534174 591969688 /nfs/dbraw/zinc/96/96/88/591969688.db2.gz ASSSBHPMNCQILU-UHFFFAOYSA-N 1 2 234.259 0.338 20 0 BCADLO CCc1nc(N2CC(C)(C(N)=O)C2)cc[nH+]1 ZINC000884541346 591972814 /nfs/dbraw/zinc/97/28/14/591972814.db2.gz BQESDMYZSAUACC-UHFFFAOYSA-N 1 2 220.276 0.351 20 0 BCADLO CCc1nc(N[C@H]2CCNC2=O)cc[nH+]1 ZINC000884551868 591976284 /nfs/dbraw/zinc/97/62/84/591976284.db2.gz LOGBHPHHFPSWRT-ZETCQYMHSA-N 1 2 206.249 0.339 20 0 BCADLO CCc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000884566871 591983349 /nfs/dbraw/zinc/98/33/49/591983349.db2.gz WIBDKMLPJNDXTH-DTORHVGOSA-N 1 2 234.303 0.739 20 0 BCADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000884622531 591995803 /nfs/dbraw/zinc/99/58/03/591995803.db2.gz SDYHWGYHNCOMCG-OWUUHHOZSA-N 1 2 223.276 0.390 20 0 BCADLO O=C(COC1CC1)OCCCn1cc[nH+]c1 ZINC000884657989 592003692 /nfs/dbraw/zinc/00/36/92/592003692.db2.gz SSGFUINCQJWYSF-UHFFFAOYSA-N 1 2 224.260 0.995 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000885044134 592035320 /nfs/dbraw/zinc/03/53/20/592035320.db2.gz MODYAJQYOSFWQX-VIFPVBQESA-N 1 2 221.260 0.463 20 0 BCADLO COCCOC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000885339001 592069472 /nfs/dbraw/zinc/06/94/72/592069472.db2.gz QLGUJBGCPCUXKA-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO COCCOC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000885339001 592069474 /nfs/dbraw/zinc/06/94/74/592069474.db2.gz QLGUJBGCPCUXKA-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO O=C1C[N@H+](CCOC2CCCCC2)CCN1 ZINC000885933600 592110835 /nfs/dbraw/zinc/11/08/35/592110835.db2.gz YZVJRZPBTXREPR-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO O=C1C[N@@H+](CCOC2CCCCC2)CCN1 ZINC000885933600 592110837 /nfs/dbraw/zinc/11/08/37/592110837.db2.gz YZVJRZPBTXREPR-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CC[S@](=O)CCNc1[nH+]cnc(N)c1OC ZINC000217575967 592135664 /nfs/dbraw/zinc/13/56/64/592135664.db2.gz ZZUKTKKUXITTOU-INIZCTEOSA-N 1 2 244.320 0.248 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1C[C@]12CCOC2 ZINC000886036281 592137660 /nfs/dbraw/zinc/13/76/60/592137660.db2.gz YAFQFDLNLZXGOB-KOLCDFICSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1C[C@]12CCOC2 ZINC000886036281 592137662 /nfs/dbraw/zinc/13/76/62/592137662.db2.gz YAFQFDLNLZXGOB-KOLCDFICSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1C[C@@]12CCOC2 ZINC000886036282 592137754 /nfs/dbraw/zinc/13/77/54/592137754.db2.gz YAFQFDLNLZXGOB-MWLCHTKSSA-N 1 2 222.292 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1C[C@@]12CCOC2 ZINC000886036282 592137755 /nfs/dbraw/zinc/13/77/55/592137755.db2.gz YAFQFDLNLZXGOB-MWLCHTKSSA-N 1 2 222.292 0.663 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)Nc1cc(F)ncn1 ZINC000136888169 592152771 /nfs/dbraw/zinc/15/27/71/592152771.db2.gz BPROXGTWVOOOEG-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ncn(C)n1 ZINC000886158445 592163903 /nfs/dbraw/zinc/16/39/03/592163903.db2.gz ZGEJZCQBOGXVFZ-RCOVLWMOSA-N 1 2 234.250 0.482 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886153986 592164215 /nfs/dbraw/zinc/16/42/15/592164215.db2.gz WRNVDBFYJYDALZ-GHMZBOCLSA-N 1 2 244.335 0.991 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC(=O)N1 ZINC000886231914 592182305 /nfs/dbraw/zinc/18/23/05/592182305.db2.gz NFPUOGFDDBJOAH-ADEWGFFLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC(=O)N1 ZINC000886231914 592182308 /nfs/dbraw/zinc/18/23/08/592182308.db2.gz NFPUOGFDDBJOAH-ADEWGFFLSA-N 1 2 238.331 0.764 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1C[C@]12CCOC2 ZINC000886251609 592187455 /nfs/dbraw/zinc/18/74/55/592187455.db2.gz GWMMYLDQFRBUOR-KCJUWKMLSA-N 1 2 239.275 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1C[C@]12CCOC2 ZINC000886251609 592187456 /nfs/dbraw/zinc/18/74/56/592187456.db2.gz GWMMYLDQFRBUOR-KCJUWKMLSA-N 1 2 239.275 0.634 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000886319387 592207342 /nfs/dbraw/zinc/20/73/42/592207342.db2.gz CAUQTVUQGDOEJV-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000886319387 592207343 /nfs/dbraw/zinc/20/73/43/592207343.db2.gz CAUQTVUQGDOEJV-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000886319387 592207345 /nfs/dbraw/zinc/20/73/45/592207345.db2.gz CAUQTVUQGDOEJV-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000886319387 592207346 /nfs/dbraw/zinc/20/73/46/592207346.db2.gz CAUQTVUQGDOEJV-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCn2nncc2C1 ZINC000886453071 592227339 /nfs/dbraw/zinc/22/73/39/592227339.db2.gz ZJMVRMFIVVSRPL-SECBINFHSA-N 1 2 249.318 0.151 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCn2nncc2C1 ZINC000886453071 592227341 /nfs/dbraw/zinc/22/73/41/592227341.db2.gz ZJMVRMFIVVSRPL-SECBINFHSA-N 1 2 249.318 0.151 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CCCn3nncc3C2)[nH]1 ZINC000886467061 592228891 /nfs/dbraw/zinc/22/88/91/592228891.db2.gz SNMWSVRLXSXYAS-MRVPVSSYSA-N 1 2 247.306 0.672 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CCCn3nncc3C2)[nH]1 ZINC000886467061 592228893 /nfs/dbraw/zinc/22/88/93/592228893.db2.gz SNMWSVRLXSXYAS-MRVPVSSYSA-N 1 2 247.306 0.672 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886529044 592247664 /nfs/dbraw/zinc/24/76/64/592247664.db2.gz VUNRTVDPCDWRKV-YUMQZZPRSA-N 1 2 211.265 0.850 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570383 592262881 /nfs/dbraw/zinc/26/28/81/592262881.db2.gz JADHIBIREGPOMH-DTORHVGOSA-N 1 2 224.333 0.642 20 0 BCADLO c1nn[nH]c1CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570383 592262883 /nfs/dbraw/zinc/26/28/83/592262883.db2.gz JADHIBIREGPOMH-DTORHVGOSA-N 1 2 224.333 0.642 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1CCOC1)C2 ZINC000886604116 592273115 /nfs/dbraw/zinc/27/31/15/592273115.db2.gz FKXGYZRYBXFEAU-JTQLQIEISA-N 1 2 249.314 0.824 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)C1(OC)CC1)C2 ZINC000886610304 592273674 /nfs/dbraw/zinc/27/36/74/592273674.db2.gz XPNCNNKHHURVMU-UHFFFAOYSA-N 1 2 249.314 0.967 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H](C)O)C2 ZINC000886614956 592275346 /nfs/dbraw/zinc/27/53/46/592275346.db2.gz QIRHNQAIKVNIEY-MRVPVSSYSA-N 1 2 223.276 0.169 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)C(C)(C)O)C2 ZINC000886615162 592276276 /nfs/dbraw/zinc/27/62/76/592276276.db2.gz ZMVNXOWVXIWDJP-UHFFFAOYSA-N 1 2 237.303 0.559 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H](C)OC)C2 ZINC000886623005 592279263 /nfs/dbraw/zinc/27/92/63/592279263.db2.gz ODPCZOVYMMRDFE-VIFPVBQESA-N 1 2 237.303 0.823 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)[nH]1 ZINC000886822247 592343985 /nfs/dbraw/zinc/34/39/85/592343985.db2.gz ODZTWVHGOCYJSL-RKDXNWHRSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)[nH]1 ZINC000886822247 592343989 /nfs/dbraw/zinc/34/39/89/592343989.db2.gz ODZTWVHGOCYJSL-RKDXNWHRSA-N 1 2 238.291 0.511 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000886861836 592372709 /nfs/dbraw/zinc/37/27/09/592372709.db2.gz ODULNAKZFJHZIK-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000886861836 592372716 /nfs/dbraw/zinc/37/27/16/592372716.db2.gz ODULNAKZFJHZIK-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000886861836 592372721 /nfs/dbraw/zinc/37/27/21/592372721.db2.gz ODULNAKZFJHZIK-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC)[C@H]1CCCOC1 ZINC000886906315 592393215 /nfs/dbraw/zinc/39/32/15/592393215.db2.gz VGXJRKCUOXEDFL-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCOC1=O)[C@@H]1CCCOC1 ZINC000886908590 592395921 /nfs/dbraw/zinc/39/59/21/592395921.db2.gz VPSXAFCABAZKIU-VWYCJHECSA-N 1 2 243.303 0.333 20 0 BCADLO COCC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886945866 592400340 /nfs/dbraw/zinc/40/03/40/592400340.db2.gz CJJDYSKOFZHBBZ-NXEZZACHSA-N 1 2 231.292 0.333 20 0 BCADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCO ZINC000886959189 592402097 /nfs/dbraw/zinc/40/20/97/592402097.db2.gz LRYZFDWICQZPCA-GHMZBOCLSA-N 1 2 245.319 0.459 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1ncc(C)cn1)C(N)=O ZINC000887057742 592433784 /nfs/dbraw/zinc/43/37/84/592433784.db2.gz WCDBIRRWUDWTBA-ONGXEEELSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074537 592436211 /nfs/dbraw/zinc/43/62/11/592436211.db2.gz YNBFLFYDFHJUOG-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074537 592436212 /nfs/dbraw/zinc/43/62/12/592436212.db2.gz YNBFLFYDFHJUOG-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO OCC[C@H](NCCn1cc[nH+]c1)C(F)(F)F ZINC000887079026 592436524 /nfs/dbraw/zinc/43/65/24/592436524.db2.gz ILQPOVCAXXEWAW-QMMMGPOBSA-N 1 2 237.225 0.786 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@]12C[C@H]1COC21CCC1 ZINC000887122784 592446299 /nfs/dbraw/zinc/44/62/99/592446299.db2.gz MAVZCVFDQKAZOY-TVQRCGJNSA-N 1 2 247.298 0.780 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@]12C[C@H]1COC21CCC1 ZINC000887122784 592446300 /nfs/dbraw/zinc/44/63/00/592446300.db2.gz MAVZCVFDQKAZOY-TVQRCGJNSA-N 1 2 247.298 0.780 20 0 BCADLO C[N@H+](CCCF)Cc1nnnn1C1CC1 ZINC000887136540 592451295 /nfs/dbraw/zinc/45/12/95/592451295.db2.gz WKDNOBOOUNKKIX-UHFFFAOYSA-N 1 2 213.260 0.799 20 0 BCADLO C[N@@H+](CCCF)Cc1nnnn1C1CC1 ZINC000887136540 592451296 /nfs/dbraw/zinc/45/12/96/592451296.db2.gz WKDNOBOOUNKKIX-UHFFFAOYSA-N 1 2 213.260 0.799 20 0 BCADLO CCn1cc(C[N@@H+]2CCSC[C@H]2CO)nn1 ZINC000887254871 592472221 /nfs/dbraw/zinc/47/22/21/592472221.db2.gz RVBLHPIKMNWLKF-SNVBAGLBSA-N 1 2 242.348 0.208 20 0 BCADLO CCn1cc(C[N@H+]2CCSC[C@H]2CO)nn1 ZINC000887254871 592472222 /nfs/dbraw/zinc/47/22/22/592472222.db2.gz RVBLHPIKMNWLKF-SNVBAGLBSA-N 1 2 242.348 0.208 20 0 BCADLO CC[C@@H](NC(=O)C1=COCCO1)c1[nH]cc[nH+]1 ZINC000140558246 592474128 /nfs/dbraw/zinc/47/41/28/592474128.db2.gz BTWMTSBMMBHYLH-MRVPVSSYSA-N 1 2 237.259 0.865 20 0 BCADLO O=c1c2c([nH]n1C1CCSCC1)CC[NH2+]C2 ZINC000887293050 592477369 /nfs/dbraw/zinc/47/73/69/592477369.db2.gz QAAVRJMGXXUTER-SECBINFHSA-N 1 2 239.344 0.690 20 0 BCADLO C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1[nH]cc[nH+]1 ZINC000140905304 592499039 /nfs/dbraw/zinc/49/90/39/592499039.db2.gz QDWQFPBGFIEAPZ-SSDOTTSWSA-N 1 2 249.274 0.195 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000300392471 592510136 /nfs/dbraw/zinc/51/01/36/592510136.db2.gz YWHUSMJHXUOVPL-ZJUUUORDSA-N 1 2 223.276 0.841 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000300392471 592510137 /nfs/dbraw/zinc/51/01/37/592510137.db2.gz YWHUSMJHXUOVPL-ZJUUUORDSA-N 1 2 223.276 0.841 20 0 BCADLO CCn1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1 ZINC000887546510 592522603 /nfs/dbraw/zinc/52/26/03/592522603.db2.gz UAZULFIZUYEPNI-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1 ZINC000887546510 592522606 /nfs/dbraw/zinc/52/26/06/592522606.db2.gz UAZULFIZUYEPNI-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1cc(C[N@@H+]2CCOCC[C@H]2C)nn1 ZINC000887552667 592524337 /nfs/dbraw/zinc/52/43/37/592524337.db2.gz KMRCRGLKEFGITD-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCOCC[C@H]2C)nn1 ZINC000887552667 592524340 /nfs/dbraw/zinc/52/43/40/592524340.db2.gz KMRCRGLKEFGITD-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000888074041 592575254 /nfs/dbraw/zinc/57/52/54/592575254.db2.gz ICDNWBZEADVNOC-MRTMQBJTSA-N 1 2 249.270 0.287 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000888074041 592575257 /nfs/dbraw/zinc/57/52/57/592575257.db2.gz ICDNWBZEADVNOC-MRTMQBJTSA-N 1 2 249.270 0.287 20 0 BCADLO CC[N@H+](CC(=O)NCc1n[nH]c(C)n1)C1CC1 ZINC000889704263 592649316 /nfs/dbraw/zinc/64/93/16/592649316.db2.gz JIMMUBBNSAHXTJ-UHFFFAOYSA-N 1 2 237.307 0.214 20 0 BCADLO CC[N@@H+](CC(=O)NCc1n[nH]c(C)n1)C1CC1 ZINC000889704263 592649319 /nfs/dbraw/zinc/64/93/19/592649319.db2.gz JIMMUBBNSAHXTJ-UHFFFAOYSA-N 1 2 237.307 0.214 20 0 BCADLO COCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109265 592673946 /nfs/dbraw/zinc/67/39/46/592673946.db2.gz IKLQAFYQNDAFSU-UHFFFAOYSA-N 1 2 225.292 0.709 20 0 BCADLO COC/C(C)=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890104679 592674194 /nfs/dbraw/zinc/67/41/94/592674194.db2.gz OUUWAHLUWICMBT-WTKPLQERSA-N 1 2 223.276 0.629 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC2(F)F)c1 ZINC000890105130 592674781 /nfs/dbraw/zinc/67/47/81/592674781.db2.gz XAIDQUUUQRHXKN-ZETCQYMHSA-N 1 2 215.203 0.692 20 0 BCADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)[C@H]1CCCO1 ZINC000890100356 592679197 /nfs/dbraw/zinc/67/91/97/592679197.db2.gz SYCPMTONKREVRT-MWLCHTKSSA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC2CC2)c1 ZINC000890100006 592679428 /nfs/dbraw/zinc/67/94/28/592679428.db2.gz OCWKDPXSPRPNNB-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2cn(C)c[nH+]2)[C@@H](C)O1 ZINC000890102878 592679815 /nfs/dbraw/zinc/67/98/15/592679815.db2.gz BZYKQCAMOWQRGZ-KKZNHRDASA-N 1 2 237.303 0.850 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103234 592679865 /nfs/dbraw/zinc/67/98/65/592679865.db2.gz HJSRBBKRDRWZMH-ISALQUGTSA-N 1 2 237.303 0.754 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103235 592680173 /nfs/dbraw/zinc/68/01/73/592680173.db2.gz HJSRBBKRDRWZMH-MVIFTORASA-N 1 2 237.303 0.754 20 0 BCADLO Cc1nocc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104553 592681396 /nfs/dbraw/zinc/68/13/96/592681396.db2.gz LYTNXMQEIONHQW-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC2(O)CCC2)c1 ZINC000890105205 592681875 /nfs/dbraw/zinc/68/18/75/592681875.db2.gz ZBSZVPXRDRTBMG-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCOCC2CC2)c1 ZINC000890109495 592682541 /nfs/dbraw/zinc/68/25/41/592682541.db2.gz CPAMTLCMTAMOLF-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108387 592682668 /nfs/dbraw/zinc/68/26/68/592682668.db2.gz YULYMVDOIJBSHI-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CNc1ccc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890107948 592682825 /nfs/dbraw/zinc/68/28/25/592682825.db2.gz RVCLXNQGFKRHPJ-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890108143 592683206 /nfs/dbraw/zinc/68/32/06/592683206.db2.gz VIQCRLGXFJTACP-IQJOONFLSA-N 1 2 237.303 0.850 20 0 BCADLO CCn1cc(CC(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890107869 592683394 /nfs/dbraw/zinc/68/33/94/592683394.db2.gz PKDWWBHDOZYUHP-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC[C@H]2CCOC2)c1 ZINC000890110157 592683932 /nfs/dbraw/zinc/68/39/32/592683932.db2.gz LSKYDJZRZGPLGL-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC2(O)CCCC2)c1 ZINC000890113433 592684453 /nfs/dbraw/zinc/68/44/53/592684453.db2.gz CXUFEUTYOZEPGN-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CCCO2)c1 ZINC000890110311 592684642 /nfs/dbraw/zinc/68/46/42/592684642.db2.gz MCYSZHZOLTUBRM-NSHDSACASA-N 1 2 223.276 0.605 20 0 BCADLO Cc1[nH]c(=O)ccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890110440 592684779 /nfs/dbraw/zinc/68/47/79/592684779.db2.gz PNXBADACLOOGPZ-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC000890116900 592685203 /nfs/dbraw/zinc/68/52/03/592685203.db2.gz HPINWFWBKBUXHJ-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114478 592685533 /nfs/dbraw/zinc/68/55/33/592685533.db2.gz MFQLBNIJDWROBB-SECBINFHSA-N 1 2 211.265 0.461 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117466 592685838 /nfs/dbraw/zinc/68/58/38/592685838.db2.gz ROKQLYKQXWKKGC-UWVGGRQHSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cccn2C)c1 ZINC000890116685 592686000 /nfs/dbraw/zinc/68/60/00/592686000.db2.gz AIMVNHCQPAZALM-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncc(C=O)cn1 ZINC000126321032 592724171 /nfs/dbraw/zinc/72/41/71/592724171.db2.gz TWDGFJITVBABFY-UHFFFAOYSA-N 1 2 231.259 0.659 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229933367 597241672 /nfs/dbraw/zinc/24/16/72/597241672.db2.gz SZJYDMJYCSXKME-BDAKNGLRSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229933367 597241676 /nfs/dbraw/zinc/24/16/76/597241676.db2.gz SZJYDMJYCSXKME-BDAKNGLRSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000049475166 598214928 /nfs/dbraw/zinc/21/49/28/598214928.db2.gz ROKWZZFPPNKUFR-VIFPVBQESA-N 1 2 200.282 0.535 20 0 BCADLO O=C([O-])C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738609431 600471121 /nfs/dbraw/zinc/47/11/21/600471121.db2.gz DONOLSRDVKTQFG-JTQLQIEISA-N 1 2 235.287 0.900 20 0 BCADLO O=C([O-])C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738609431 600471123 /nfs/dbraw/zinc/47/11/23/600471123.db2.gz DONOLSRDVKTQFG-JTQLQIEISA-N 1 2 235.287 0.900 20 0 BCADLO O=C([O-])c1coc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000740268239 599848736 /nfs/dbraw/zinc/84/87/36/599848736.db2.gz FYXNVIUAMXOBQJ-NXEZZACHSA-N 1 2 236.271 0.629 20 0 BCADLO Cc1cc[nH+]c(N2CC[NH+](CC(=O)[O-])CC2)c1 ZINC000058022112 601854940 /nfs/dbraw/zinc/85/49/40/601854940.db2.gz RTOUARGCQOEYSO-UHFFFAOYSA-N 1 2 235.287 0.597 20 0 BCADLO CC(C)([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000083644401 605275845 /nfs/dbraw/zinc/27/58/45/605275845.db2.gz OXYSVABBNWDGPN-UHFFFAOYSA-N 1 2 211.265 0.726 20 0 BCADLO CC1(C)COC[C@H]1[NH2+]CC(F)(F)CO ZINC000312988153 634424629 /nfs/dbraw/zinc/42/46/29/634424629.db2.gz VIQVFDILRIAQTG-SSDOTTSWSA-N 1 2 209.236 0.629 20 0 BCADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026738398 634432777 /nfs/dbraw/zinc/43/27/77/634432777.db2.gz LWXONYYOINHPNL-QMMMGPOBSA-N 1 2 237.259 0.900 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026738398 634432786 /nfs/dbraw/zinc/43/27/86/634432786.db2.gz LWXONYYOINHPNL-QMMMGPOBSA-N 1 2 237.259 0.900 20 0 BCADLO CCC(=O)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000909346833 634447804 /nfs/dbraw/zinc/44/78/04/634447804.db2.gz LFWQINJPOHXSNJ-JTQLQIEISA-N 1 2 235.287 0.853 20 0 BCADLO Cc1nc(NCCc2cn(C)c[nH+]2)cc(=O)[nH]1 ZINC000313474198 634462371 /nfs/dbraw/zinc/46/23/71/634462371.db2.gz WKLQVKKOKOOGBT-UHFFFAOYSA-N 1 2 233.275 0.879 20 0 BCADLO CC(C)(O)C(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000909385046 634582136 /nfs/dbraw/zinc/58/21/36/634582136.db2.gz HHYJOYRVJNKZHE-UHFFFAOYSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001009861907 634607698 /nfs/dbraw/zinc/60/76/98/634607698.db2.gz FHIVBUMURYMEEU-QMMMGPOBSA-N 1 2 220.263 0.895 20 0 BCADLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001009861907 634607706 /nfs/dbraw/zinc/60/77/06/634607706.db2.gz FHIVBUMURYMEEU-QMMMGPOBSA-N 1 2 220.263 0.895 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)Cc1c[nH+]cn1C ZINC000925826237 635432473 /nfs/dbraw/zinc/43/24/73/635432473.db2.gz GBOGNXIEUGKFPT-OAHLLOKOSA-N 1 2 229.305 0.607 20 0 BCADLO CCCNc1cc(N[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000229378117 635469534 /nfs/dbraw/zinc/46/95/34/635469534.db2.gz PAYQZCRARTWASM-QMMMGPOBSA-N 1 2 235.291 0.599 20 0 BCADLO CCCNc1cc(N[C@@H]2CNC(=O)C2)[nH+]cn1 ZINC000229378117 635469542 /nfs/dbraw/zinc/46/95/42/635469542.db2.gz PAYQZCRARTWASM-QMMMGPOBSA-N 1 2 235.291 0.599 20 0 BCADLO CC[S@](C)(=O)=NC(=O)CCn1cc[nH+]c1 ZINC000925839709 635502413 /nfs/dbraw/zinc/50/24/13/635502413.db2.gz JJJHPFRIHSBFAT-HNNXBMFYSA-N 1 2 229.305 0.918 20 0 BCADLO CCOC(C[N@@H+]1CCOC[C@H]1COC)OCC ZINC000933328795 631262081 /nfs/dbraw/zinc/26/20/81/631262081.db2.gz CQDMMJVMJAWBHM-LLVKDONJSA-N 1 2 247.335 0.733 20 0 BCADLO CCOC(C[N@H+]1CCOC[C@H]1COC)OCC ZINC000933328795 631262085 /nfs/dbraw/zinc/26/20/85/631262085.db2.gz CQDMMJVMJAWBHM-LLVKDONJSA-N 1 2 247.335 0.733 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCn1cccn1 ZINC000933330953 631263957 /nfs/dbraw/zinc/26/39/57/631263957.db2.gz KTNGBKVAPLSVAG-LLVKDONJSA-N 1 2 225.292 0.230 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCn1cccn1 ZINC000933330953 631263959 /nfs/dbraw/zinc/26/39/59/631263959.db2.gz KTNGBKVAPLSVAG-LLVKDONJSA-N 1 2 225.292 0.230 20 0 BCADLO CO[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308391457 631310666 /nfs/dbraw/zinc/31/06/66/631310666.db2.gz MPYGGKJDEDGAES-SSDOTTSWSA-N 1 2 209.249 0.315 20 0 BCADLO C[C@H](CNc1cnccn1)[NH+]1CCOCC1 ZINC000298462642 631319479 /nfs/dbraw/zinc/31/94/79/631319479.db2.gz YRELJSKYJALWLH-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000290484466 631363806 /nfs/dbraw/zinc/36/38/06/631363806.db2.gz XMPJRBXFXLCUNB-VIFPVBQESA-N 1 2 245.348 0.884 20 0 BCADLO CC[N@H+](CCO)Cc1nc(Br)c[nH]1 ZINC000891453399 631366498 /nfs/dbraw/zinc/36/64/98/631366498.db2.gz OBBIFFYFKSWWOE-UHFFFAOYSA-N 1 2 248.124 0.986 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(Br)c[nH]1 ZINC000891453399 631366502 /nfs/dbraw/zinc/36/65/02/631366502.db2.gz OBBIFFYFKSWWOE-UHFFFAOYSA-N 1 2 248.124 0.986 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536246 631399095 /nfs/dbraw/zinc/39/90/95/631399095.db2.gz WSRGFASBMBLLMA-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536246 631399098 /nfs/dbraw/zinc/39/90/98/631399098.db2.gz WSRGFASBMBLLMA-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000308598261 631436354 /nfs/dbraw/zinc/43/63/54/631436354.db2.gz NLSZQQBQCHNSKT-APPZFPTMSA-N 1 2 201.266 0.299 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@H]2CO)CCN1c1ccccc1 ZINC000934024779 631602094 /nfs/dbraw/zinc/60/20/94/631602094.db2.gz WQPGMWJUOPLJMR-STQMWFEESA-N 1 2 246.310 0.859 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@H]2CO)CCN1c1ccccc1 ZINC000934024779 631602096 /nfs/dbraw/zinc/60/20/96/631602096.db2.gz WQPGMWJUOPLJMR-STQMWFEESA-N 1 2 246.310 0.859 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]1CO ZINC000934026855 631605148 /nfs/dbraw/zinc/60/51/48/631605148.db2.gz ORHQOFMYYSDYTD-SNVBAGLBSA-N 1 2 235.349 0.266 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]1CO ZINC000934026855 631605155 /nfs/dbraw/zinc/60/51/55/631605155.db2.gz ORHQOFMYYSDYTD-SNVBAGLBSA-N 1 2 235.349 0.266 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H]1CO ZINC000934023192 631620911 /nfs/dbraw/zinc/62/09/11/631620911.db2.gz CXEBRMFCJDMTFA-DTWKUNHWSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H]1CO ZINC000934023192 631620914 /nfs/dbraw/zinc/62/09/14/631620914.db2.gz CXEBRMFCJDMTFA-DTWKUNHWSA-N 1 2 201.266 0.395 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001028363511 635661484 /nfs/dbraw/zinc/66/14/84/635661484.db2.gz STXLFMLKDJCNIQ-SNVBAGLBSA-N 1 2 237.307 0.071 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001028363511 635661491 /nfs/dbraw/zinc/66/14/91/635661491.db2.gz STXLFMLKDJCNIQ-SNVBAGLBSA-N 1 2 237.307 0.071 20 0 BCADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934028990 631628404 /nfs/dbraw/zinc/62/84/04/631628404.db2.gz FWLXVFGUSJAHQT-SNVBAGLBSA-N 1 2 238.287 0.305 20 0 BCADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@H]1CO ZINC000934028990 631628406 /nfs/dbraw/zinc/62/84/06/631628406.db2.gz FWLXVFGUSJAHQT-SNVBAGLBSA-N 1 2 238.287 0.305 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)NCc1ccccc1 ZINC000934028801 631628990 /nfs/dbraw/zinc/62/89/90/631628990.db2.gz ZZPSYARQLIYUHI-LBPRGKRZSA-N 1 2 234.299 0.369 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)NCc1ccccc1 ZINC000934028801 631628993 /nfs/dbraw/zinc/62/89/93/631628993.db2.gz ZZPSYARQLIYUHI-LBPRGKRZSA-N 1 2 234.299 0.369 20 0 BCADLO COC(=O)c1oc(C[N@@H+]2CC[C@H]2CO)cc1C ZINC000934029652 631629321 /nfs/dbraw/zinc/62/93/21/631629321.db2.gz VKGVTCABXXLUMJ-VIFPVBQESA-N 1 2 239.271 0.941 20 0 BCADLO COC(=O)c1oc(C[N@H+]2CC[C@H]2CO)cc1C ZINC000934029652 631629327 /nfs/dbraw/zinc/62/93/27/631629327.db2.gz VKGVTCABXXLUMJ-VIFPVBQESA-N 1 2 239.271 0.941 20 0 BCADLO CC1CCC(NC(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934029027 631629808 /nfs/dbraw/zinc/62/98/08/631629808.db2.gz RUMLKESCBSIQLC-HTAVTVPLSA-N 1 2 240.347 0.748 20 0 BCADLO CC1CCC(NC(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934029027 631629813 /nfs/dbraw/zinc/62/98/13/631629813.db2.gz RUMLKESCBSIQLC-HTAVTVPLSA-N 1 2 240.347 0.748 20 0 BCADLO CCCCOC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248955307 635683959 /nfs/dbraw/zinc/68/39/59/635683959.db2.gz QCAIKIPMIAZCJF-MNOVXSKESA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248955307 635683970 /nfs/dbraw/zinc/68/39/70/635683970.db2.gz QCAIKIPMIAZCJF-MNOVXSKESA-N 1 2 247.335 0.393 20 0 BCADLO CC[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)OC ZINC000308903531 631723094 /nfs/dbraw/zinc/72/30/94/631723094.db2.gz BWPRPDVOYCOFIP-ZJUUUORDSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@@H]([NH2+]C1CSC1)c1nnnn1C1CC1 ZINC000309005010 631798319 /nfs/dbraw/zinc/79/83/19/631798319.db2.gz PMJWMBNMIJMWGL-ZCFIWIBFSA-N 1 2 225.321 0.774 20 0 BCADLO CCc1nc(C[NH2+][C@@H](CO)C2CC2)no1 ZINC000309026857 631806535 /nfs/dbraw/zinc/80/65/35/631806535.db2.gz BCTWMFVESZJKBN-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CCOC(C[N@@H+]1CC[C@@H](O)[C@@H](F)C1)OCC ZINC000934568429 631935626 /nfs/dbraw/zinc/93/56/26/631935626.db2.gz WBRDZUGVUUXFGQ-VHSXEESVSA-N 1 2 235.299 0.790 20 0 BCADLO CCOC(C[N@H+]1CC[C@@H](O)[C@@H](F)C1)OCC ZINC000934568429 631935636 /nfs/dbraw/zinc/93/56/36/631935636.db2.gz WBRDZUGVUUXFGQ-VHSXEESVSA-N 1 2 235.299 0.790 20 0 BCADLO O=C1CN(c2nccn3c[nH+]cc23)CCCN1 ZINC000892276272 631941828 /nfs/dbraw/zinc/94/18/28/631941828.db2.gz CFKFPKJTSHYXSO-UHFFFAOYSA-N 1 2 231.259 0.056 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000934573373 631946295 /nfs/dbraw/zinc/94/62/95/631946295.db2.gz FKIGZGRKAIBNDU-UWVGGRQHSA-N 1 2 213.256 0.325 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cnn1C ZINC000934575517 631948039 /nfs/dbraw/zinc/94/80/39/631948039.db2.gz JKROTJMGGWPOPZ-WDEREUQCSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cnn1C ZINC000934575517 631948042 /nfs/dbraw/zinc/94/80/42/631948042.db2.gz JKROTJMGGWPOPZ-WDEREUQCSA-N 1 2 227.283 0.633 20 0 BCADLO Nc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)ccn1 ZINC000934574522 631948220 /nfs/dbraw/zinc/94/82/20/631948220.db2.gz UBKMRIOCFQGJGT-NXEZZACHSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)ccn1 ZINC000934574522 631948221 /nfs/dbraw/zinc/94/82/21/631948221.db2.gz UBKMRIOCFQGJGT-NXEZZACHSA-N 1 2 225.267 0.569 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(O)C1 ZINC000934588153 631958105 /nfs/dbraw/zinc/95/81/05/631958105.db2.gz NBVMVCQVKRCUPV-UHFFFAOYSA-N 1 2 217.228 0.380 20 0 BCADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@H](C)O ZINC000934818333 632090641 /nfs/dbraw/zinc/09/06/41/632090641.db2.gz AQINHGQLSCIYFH-QMMMGPOBSA-N 1 2 203.282 0.687 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777832 635746111 /nfs/dbraw/zinc/74/61/11/635746111.db2.gz OLQSGOHOYUARJD-JFUSQASVSA-N 1 2 249.314 0.951 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@]12C[C@H]1COC2 ZINC000894187598 635744757 /nfs/dbraw/zinc/74/47/57/635744757.db2.gz RUSNLKYXJUZRPM-JQWIXIFHSA-N 1 2 235.287 0.568 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000926504013 632401131 /nfs/dbraw/zinc/40/11/31/632401131.db2.gz QCZJZXRRZKCQRB-RKDXNWHRSA-N 1 2 234.303 0.442 20 0 BCADLO CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC=CC1 ZINC000935018634 632415502 /nfs/dbraw/zinc/41/55/02/632415502.db2.gz ZNJTUIQJWOEHNH-LBPRGKRZSA-N 1 2 249.358 0.459 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000131115620 632452255 /nfs/dbraw/zinc/45/22/55/632452255.db2.gz YESYCCRWRPXBDH-BREXMAIKSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000131115620 632452249 /nfs/dbraw/zinc/45/22/49/632452249.db2.gz YESYCCRWRPXBDH-BREXMAIKSA-N 1 2 240.303 0.316 20 0 BCADLO C[C@@H]1CC(NC(=O)CCc2c[nH]c[nH+]2)=NO1 ZINC000281209206 632634959 /nfs/dbraw/zinc/63/49/59/632634959.db2.gz NRPAFDOOKJSXIM-SSDOTTSWSA-N 1 2 222.248 0.581 20 0 BCADLO C[C@@H]1CC(NC(=O)CCc2c[nH+]c[nH]2)=NO1 ZINC000281209206 632634962 /nfs/dbraw/zinc/63/49/62/632634962.db2.gz NRPAFDOOKJSXIM-SSDOTTSWSA-N 1 2 222.248 0.581 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1SCCS1 ZINC000291289182 632651544 /nfs/dbraw/zinc/65/15/44/632651544.db2.gz RKZIWRICBAUWKT-UHFFFAOYSA-N 1 2 243.357 0.842 20 0 BCADLO CCN(CC)C(=O)CNc1nc(C)[nH+]c(N)n1 ZINC000310133619 632702841 /nfs/dbraw/zinc/70/28/41/632702841.db2.gz ZXSUBAZUHGCQRV-UHFFFAOYSA-N 1 2 238.295 0.043 20 0 BCADLO CCN(CC)C(=O)CNc1nc(N)nc(C)[nH+]1 ZINC000310133619 632702845 /nfs/dbraw/zinc/70/28/45/632702845.db2.gz ZXSUBAZUHGCQRV-UHFFFAOYSA-N 1 2 238.295 0.043 20 0 BCADLO Cc1nnc(CNc2cc[nH+]c(C)n2)[nH]1 ZINC000309234220 632829527 /nfs/dbraw/zinc/82/95/27/632829527.db2.gz XHUGUQAWDYWQOY-UHFFFAOYSA-N 1 2 204.237 0.824 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cccnc1F ZINC000236182270 632891858 /nfs/dbraw/zinc/89/18/58/632891858.db2.gz KHLSUZSJCJZBJL-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO COC[C@@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892633139 633031827 /nfs/dbraw/zinc/03/18/27/633031827.db2.gz SYHTVOAYWOBPNT-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892633139 633031832 /nfs/dbraw/zinc/03/18/32/633031832.db2.gz SYHTVOAYWOBPNT-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO CN1C(=O)C2(CCCC2)[NH2+][C@@H]1[C@H]1CCOC1 ZINC000309419926 633046229 /nfs/dbraw/zinc/04/62/29/633046229.db2.gz DLVXSMZVLUMCMD-UWVGGRQHSA-N 1 2 224.304 0.723 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000309447917 633082803 /nfs/dbraw/zinc/08/28/03/633082803.db2.gz LTWYPBOEGQAJJU-SCZZXKLOSA-N 1 2 225.292 0.784 20 0 BCADLO OCC1(O)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000894545795 635908422 /nfs/dbraw/zinc/90/84/22/635908422.db2.gz QTTUGHIPFUEOQE-UHFFFAOYSA-N 1 2 248.286 0.053 20 0 BCADLO Cn1c[nH+]cc1CNc1nncn1C1CC1 ZINC000309477753 633143463 /nfs/dbraw/zinc/14/34/63/633143463.db2.gz CKEFWRHZUCRIKM-UHFFFAOYSA-N 1 2 218.264 0.959 20 0 BCADLO Nc1cc(COC(=O)C2(O)CCC2)cc[nH+]1 ZINC000309563008 633200680 /nfs/dbraw/zinc/20/06/80/633200680.db2.gz PNUMNJVYBAZMQR-UHFFFAOYSA-N 1 2 222.244 0.622 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cnc1F ZINC000894738071 635919917 /nfs/dbraw/zinc/91/99/17/635919917.db2.gz KFADXLASVXXNJP-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cnc1F ZINC000894738071 635919923 /nfs/dbraw/zinc/91/99/23/635919923.db2.gz KFADXLASVXXNJP-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO C[C@@H](CCO)CNc1cc(N(C)C)nc[nH+]1 ZINC000892729432 633203370 /nfs/dbraw/zinc/20/33/70/633203370.db2.gz BGCFHJXBSNUIJV-VIFPVBQESA-N 1 2 224.308 0.973 20 0 BCADLO C[C@@H](CCO)CNc1cc(N(C)C)[nH+]cn1 ZINC000892729432 633203372 /nfs/dbraw/zinc/20/33/72/633203372.db2.gz BGCFHJXBSNUIJV-VIFPVBQESA-N 1 2 224.308 0.973 20 0 BCADLO Cc1n[nH]nc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000892888438 633240488 /nfs/dbraw/zinc/24/04/88/633240488.db2.gz KUHLAVBOAJJKBL-SSDOTTSWSA-N 1 2 234.263 0.899 20 0 BCADLO Cn1c[nH+]cc1CNC(=S)NC1CC1 ZINC000306815180 635976281 /nfs/dbraw/zinc/97/62/81/635976281.db2.gz DAEIVYYJRLOIAK-UHFFFAOYSA-N 1 2 210.306 0.547 20 0 BCADLO CC1(C)[C@H]([NH2+]Cc2cnsn2)C[C@@H]1O ZINC000306868561 635976898 /nfs/dbraw/zinc/97/68/98/635976898.db2.gz REPKYWBNFYCYQG-SFYZADRCSA-N 1 2 213.306 0.787 20 0 BCADLO Cc1nc(NCCc2ccnn2C)nc(N)[nH+]1 ZINC000310272391 636007247 /nfs/dbraw/zinc/00/72/47/636007247.db2.gz TZEAHJZDHKXZAR-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO Cc1nc(N)nc(NCCc2ccnn2C)[nH+]1 ZINC000310272391 636007248 /nfs/dbraw/zinc/00/72/48/636007248.db2.gz TZEAHJZDHKXZAR-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000307063793 635980700 /nfs/dbraw/zinc/98/07/00/635980700.db2.gz OPGGQMXWOJBJNN-IONNQARKSA-N 1 2 227.695 0.943 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000307063793 635980707 /nfs/dbraw/zinc/98/07/07/635980707.db2.gz OPGGQMXWOJBJNN-IONNQARKSA-N 1 2 227.695 0.943 20 0 BCADLO CNc1cc(N2C[C@@H](CO)OC[C@H]2C)nc[nH+]1 ZINC000122753988 633854336 /nfs/dbraw/zinc/85/43/36/633854336.db2.gz QIGNCVIZFIXSHE-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@@H](CO)OC[C@H]2C)[nH+]cn1 ZINC000122753988 633854338 /nfs/dbraw/zinc/85/43/38/633854338.db2.gz QIGNCVIZFIXSHE-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCCCCO ZINC000309428325 633919689 /nfs/dbraw/zinc/91/96/89/633919689.db2.gz XILFMBRKIKLKQV-UHFFFAOYSA-N 1 2 225.292 0.552 20 0 BCADLO CCCc1nc(C[NH2+][C@H](CO)C2CC2)no1 ZINC000309961578 633988385 /nfs/dbraw/zinc/98/83/85/633988385.db2.gz LLVNHRMCRONKOW-SECBINFHSA-N 1 2 225.292 0.883 20 0 BCADLO CCc1cc(C[NH2+]Cc2cn(C)cn2)[nH]n1 ZINC000309983620 634059632 /nfs/dbraw/zinc/05/96/32/634059632.db2.gz XGLCMJVQKGTBPW-UHFFFAOYSA-N 1 2 219.292 0.995 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000930747660 634084335 /nfs/dbraw/zinc/08/43/35/634084335.db2.gz MFRWCHSIBPSNAF-ONGXEEELSA-N 1 2 234.303 0.748 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC000930747660 634084343 /nfs/dbraw/zinc/08/43/43/634084343.db2.gz MFRWCHSIBPSNAF-ONGXEEELSA-N 1 2 234.303 0.748 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000186938263 634090034 /nfs/dbraw/zinc/09/00/34/634090034.db2.gz XXVDVKUZSDQNAC-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000186938263 634090042 /nfs/dbraw/zinc/09/00/42/634090042.db2.gz XXVDVKUZSDQNAC-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930862349 634143105 /nfs/dbraw/zinc/14/31/05/634143105.db2.gz KGCZAEIWASERJJ-DNYRQMJMSA-N 1 2 243.328 0.311 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930862349 634143109 /nfs/dbraw/zinc/14/31/09/634143109.db2.gz KGCZAEIWASERJJ-DNYRQMJMSA-N 1 2 243.328 0.311 20 0 BCADLO CCCCOC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190841372 634196712 /nfs/dbraw/zinc/19/67/12/634196712.db2.gz QCAIKIPMIAZCJF-QWRGUYRKSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190841372 634196715 /nfs/dbraw/zinc/19/67/15/634196715.db2.gz QCAIKIPMIAZCJF-QWRGUYRKSA-N 1 2 247.335 0.393 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC001027710153 635120611 /nfs/dbraw/zinc/12/06/11/635120611.db2.gz MEUZKEFUXLXHOS-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC001027710153 635120616 /nfs/dbraw/zinc/12/06/16/635120616.db2.gz MEUZKEFUXLXHOS-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)cn1 ZINC001027711202 635124776 /nfs/dbraw/zinc/12/47/76/635124776.db2.gz ICNLNEYDMBOFJB-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)cn1 ZINC001027711202 635124778 /nfs/dbraw/zinc/12/47/78/635124778.db2.gz ICNLNEYDMBOFJB-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNc1cc(N2CC[C@@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000893567328 635166946 /nfs/dbraw/zinc/16/69/46/635166946.db2.gz LTDWIKBUHNKPHI-GFCCVEGCSA-N 1 2 247.302 0.235 20 0 BCADLO CNc1cc(N2CC[C@@]3(CNC(=O)C3)C2)[nH+]cn1 ZINC000893567328 635166950 /nfs/dbraw/zinc/16/69/50/635166950.db2.gz LTDWIKBUHNKPHI-GFCCVEGCSA-N 1 2 247.302 0.235 20 0 BCADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000228719231 635219099 /nfs/dbraw/zinc/21/90/99/635219099.db2.gz YOUZNZILUFODMP-UWVGGRQHSA-N 1 2 217.309 0.936 20 0 BCADLO O=C1[C@@H](n2cc[nH+]c2)CCN1C1CCOCC1 ZINC000336713625 635255064 /nfs/dbraw/zinc/25/50/64/635255064.db2.gz PXHPJBVSZGVVBL-NSHDSACASA-N 1 2 235.287 0.836 20 0 BCADLO CNc1cc(N2CCO[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000894223870 635758116 /nfs/dbraw/zinc/75/81/16/635758116.db2.gz QLZPIDDEMWSPKO-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000894223870 635758125 /nfs/dbraw/zinc/75/81/25/635758125.db2.gz QLZPIDDEMWSPKO-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000895644444 636171670 /nfs/dbraw/zinc/17/16/70/636171670.db2.gz AJVHHFVXFRMFOD-MWLCHTKSSA-N 1 2 222.292 0.255 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000895644444 636171675 /nfs/dbraw/zinc/17/16/75/636171675.db2.gz AJVHHFVXFRMFOD-MWLCHTKSSA-N 1 2 222.292 0.255 20 0 BCADLO Cn1nccc1[C@@H](O)CNc1cc[nH+]cc1F ZINC000896628552 636208533 /nfs/dbraw/zinc/20/85/33/636208533.db2.gz PIGMTJBMIULHET-NSHDSACASA-N 1 2 236.250 0.522 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c[nH]nn1 ZINC000896825079 636223977 /nfs/dbraw/zinc/22/39/77/636223977.db2.gz FRGCLYLRFDFVRD-SECBINFHSA-N 1 2 237.307 0.294 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1c[nH]nn1 ZINC000896825079 636223991 /nfs/dbraw/zinc/22/39/91/636223991.db2.gz FRGCLYLRFDFVRD-SECBINFHSA-N 1 2 237.307 0.294 20 0 BCADLO C[C@@H]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000909577688 636282146 /nfs/dbraw/zinc/28/21/46/636282146.db2.gz ATZDFQABAMYDCR-SCZZXKLOSA-N 1 2 223.276 0.636 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@H]1C ZINC000985852114 636424688 /nfs/dbraw/zinc/42/46/88/636424688.db2.gz BIXLLJYKJLLMPD-XCBNKYQSSA-N 1 2 240.332 0.637 20 0 BCADLO CCc1cc(C(=O)NCCc2c[nH+]cn2C)no1 ZINC000897365887 636492505 /nfs/dbraw/zinc/49/25/05/636492505.db2.gz XGPJCELQAYKCJK-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000928908527 636494549 /nfs/dbraw/zinc/49/45/49/636494549.db2.gz IGHOQCGPTITBRQ-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000928917037 636512106 /nfs/dbraw/zinc/51/21/06/636512106.db2.gz MTXKGSKWBHSATI-ZJUUUORDSA-N 1 2 235.287 0.645 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC[C@H]1C ZINC000928917054 636512260 /nfs/dbraw/zinc/51/22/60/636512260.db2.gz HRTMCLSEQCBDFE-FXPVBKGRSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC[C@H]1C ZINC000928917054 636512266 /nfs/dbraw/zinc/51/22/66/636512266.db2.gz HRTMCLSEQCBDFE-FXPVBKGRSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000928918394 636514145 /nfs/dbraw/zinc/51/41/45/636514145.db2.gz MAKGTMITYKFCMW-ZDCRXTMVSA-N 1 2 249.314 0.675 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000928918388 636514343 /nfs/dbraw/zinc/51/43/43/636514343.db2.gz MAKGTMITYKFCMW-GWOFURMSSA-N 1 2 249.314 0.675 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCOCN1 ZINC000928950839 636626158 /nfs/dbraw/zinc/62/61/58/636626158.db2.gz ZYQFKLQJXQQQOZ-UHFFFAOYSA-N 1 2 232.243 0.269 20 0 BCADLO CC(=O)N1C[C@@H]([NH2+]Cc2csnn2)C[C@H]1C ZINC000987638498 636655559 /nfs/dbraw/zinc/65/55/59/636655559.db2.gz ZFVGWWFSWDZXMX-APPZFPTMSA-N 1 2 240.332 0.637 20 0 BCADLO CC(=O)N1C[C@@H]([NH2+]Cc2csnn2)C[C@@H]1C ZINC000987638500 636656404 /nfs/dbraw/zinc/65/64/04/636656404.db2.gz ZFVGWWFSWDZXMX-CBAPKCEASA-N 1 2 240.332 0.637 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925286866 636726460 /nfs/dbraw/zinc/72/64/60/636726460.db2.gz AYSYYTBBYXIBPU-FKTZTGRPSA-N 1 2 223.276 0.966 20 0 BCADLO O=C1OCCN1CCC[NH+]1CCOCC1 ZINC000067715388 636776074 /nfs/dbraw/zinc/77/60/74/636776074.db2.gz WPVZERZKTDFGAC-UHFFFAOYSA-N 1 2 214.265 0.161 20 0 BCADLO CCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC000343460108 636781066 /nfs/dbraw/zinc/78/10/66/636781066.db2.gz SNNSSMZGDHKCFZ-VIFPVBQESA-N 1 2 238.291 0.113 20 0 BCADLO CCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC000343460108 636781075 /nfs/dbraw/zinc/78/10/75/636781075.db2.gz SNNSSMZGDHKCFZ-VIFPVBQESA-N 1 2 238.291 0.113 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865140725 636801833 /nfs/dbraw/zinc/80/18/33/636801833.db2.gz JJIINULESYSVAQ-WCBMZHEXSA-N 1 2 223.276 0.844 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000929118395 636809629 /nfs/dbraw/zinc/80/96/29/636809629.db2.gz OMVLWZZSSMJHMF-SECBINFHSA-N 1 2 228.292 0.260 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000929118395 636809638 /nfs/dbraw/zinc/80/96/38/636809638.db2.gz OMVLWZZSSMJHMF-SECBINFHSA-N 1 2 228.292 0.260 20 0 BCADLO CCc1cc(NC[C@@H](O)CO)nc(CC)[nH+]1 ZINC000897551836 636816694 /nfs/dbraw/zinc/81/66/94/636816694.db2.gz ARLJBTPASBCHQZ-SECBINFHSA-N 1 2 225.292 0.367 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2C1 ZINC000897619162 636826133 /nfs/dbraw/zinc/82/61/33/636826133.db2.gz PPUOTQHTODGOFK-PHIMTYICSA-N 1 2 241.312 0.756 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2C1 ZINC000897619162 636826139 /nfs/dbraw/zinc/82/61/39/636826139.db2.gz PPUOTQHTODGOFK-PHIMTYICSA-N 1 2 241.312 0.756 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895813 637019315 /nfs/dbraw/zinc/01/93/15/637019315.db2.gz DEMHQGQTVAECQV-JGVFFNPUSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895813 637019319 /nfs/dbraw/zinc/01/93/19/637019319.db2.gz DEMHQGQTVAECQV-JGVFFNPUSA-N 1 2 249.274 0.851 20 0 BCADLO Cn1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC000898887542 637061485 /nfs/dbraw/zinc/06/14/85/637061485.db2.gz LQMFTQQGYCHTJA-JTQLQIEISA-N 1 2 248.286 0.222 20 0 BCADLO CC(C)(CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)n1cc[nH+]c1 ZINC000898911135 637063074 /nfs/dbraw/zinc/06/30/74/637063074.db2.gz LQNJMDMBOGMIHU-URLYPYJESA-N 1 2 249.314 0.627 20 0 BCADLO Cn1cnc(C(=O)NCC(C)(C)n2cc[nH+]c2)n1 ZINC000898908864 637064608 /nfs/dbraw/zinc/06/46/08/637064608.db2.gz CXIPBYUTURVNOJ-UHFFFAOYSA-N 1 2 248.290 0.177 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cnn(C)n1 ZINC000924752844 637079106 /nfs/dbraw/zinc/07/91/06/637079106.db2.gz HWOIBSSMBAYTJY-VDTYLAMSSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cnn(C)n1 ZINC000924752841 637079301 /nfs/dbraw/zinc/07/93/01/637079301.db2.gz HWOIBSSMBAYTJY-FSPLSTOPSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@@](O)(CNC(=O)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000900905007 637197970 /nfs/dbraw/zinc/19/79/70/637197970.db2.gz WNMWHVFWXQCBRS-GFCCVEGCSA-N 1 2 249.270 0.569 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@](C)(O)C2CC2)[nH+]c1C ZINC000900999383 637223909 /nfs/dbraw/zinc/22/39/09/637223909.db2.gz GOHYOBSDNPYZDN-LBPRGKRZSA-N 1 2 237.303 0.804 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@](C)(O)C2CC2)[nH+]c1C ZINC000900999382 637225780 /nfs/dbraw/zinc/22/57/80/637225780.db2.gz GOHYOBSDNPYZDN-GFCCVEGCSA-N 1 2 237.303 0.804 20 0 BCADLO O=C1OCCN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000902308225 637291001 /nfs/dbraw/zinc/29/10/01/637291001.db2.gz XEDFJNLCYMQODC-KNVOCYPGSA-N 1 2 218.203 0.593 20 0 BCADLO O=C1OCCN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000902308225 637291005 /nfs/dbraw/zinc/29/10/05/637291005.db2.gz XEDFJNLCYMQODC-KNVOCYPGSA-N 1 2 218.203 0.593 20 0 BCADLO CCc1nc[nH]c1C(=O)NCCCn1cc[nH+]c1 ZINC000905046788 637564135 /nfs/dbraw/zinc/56/41/35/637564135.db2.gz UMTOQGWJTXLPPI-UHFFFAOYSA-N 1 2 247.302 0.989 20 0 BCADLO Nc1ccc(Cn2cc([C@@H]3CCOC3)nn2)c[nH+]1 ZINC000905818013 637944090 /nfs/dbraw/zinc/94/40/90/637944090.db2.gz ZFSCFOVCFSTYIT-SNVBAGLBSA-N 1 2 245.286 0.808 20 0 BCADLO c1cn(Cc2cn(CCOC3CC3)nn2)c[nH+]1 ZINC000905830716 637948124 /nfs/dbraw/zinc/94/81/24/637948124.db2.gz WSBJAYODTKEQIX-UHFFFAOYSA-N 1 2 233.275 0.702 20 0 BCADLO C[NH+]1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC000905867969 637952757 /nfs/dbraw/zinc/95/27/57/637952757.db2.gz JCTDAMLBOXRGMT-HNNXBMFYSA-N 1 2 244.282 0.502 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906197909 638115981 /nfs/dbraw/zinc/11/59/81/638115981.db2.gz AKGNLSBFDCRXIX-CNVPUSNMSA-N 1 2 247.298 0.613 20 0 BCADLO OCC[N@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906253479 638119835 /nfs/dbraw/zinc/11/98/35/638119835.db2.gz CGWCLFCFFMWXCN-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO OCC[N@@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906253479 638119840 /nfs/dbraw/zinc/11/98/40/638119840.db2.gz CGWCLFCFFMWXCN-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906273777 638123780 /nfs/dbraw/zinc/12/37/80/638123780.db2.gz OVEIDUMZYQSDMJ-LLVKDONJSA-N 1 2 222.292 0.834 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906273777 638123781 /nfs/dbraw/zinc/12/37/81/638123781.db2.gz OVEIDUMZYQSDMJ-LLVKDONJSA-N 1 2 222.292 0.834 20 0 BCADLO C[N@H+](Cc1cn(C2CC2)nn1)CC1(CO)CC1 ZINC000906295666 638134944 /nfs/dbraw/zinc/13/49/44/638134944.db2.gz DEESMUPQAGEUJX-UHFFFAOYSA-N 1 2 236.319 0.817 20 0 BCADLO C[N@@H+](Cc1cn(C2CC2)nn1)CC1(CO)CC1 ZINC000906295666 638134948 /nfs/dbraw/zinc/13/49/48/638134948.db2.gz DEESMUPQAGEUJX-UHFFFAOYSA-N 1 2 236.319 0.817 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cn(C2CC2)nn1 ZINC000906301758 638136003 /nfs/dbraw/zinc/13/60/03/638136003.db2.gz ZHZCZMNHEQCTIQ-LDYMZIIASA-N 1 2 249.318 0.227 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906323921 638145061 /nfs/dbraw/zinc/14/50/61/638145061.db2.gz FMUMNWVEIICQRV-KWQFWETISA-N 1 2 220.276 0.180 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906323921 638145063 /nfs/dbraw/zinc/14/50/63/638145063.db2.gz FMUMNWVEIICQRV-KWQFWETISA-N 1 2 220.276 0.180 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906638790 638226245 /nfs/dbraw/zinc/22/62/45/638226245.db2.gz GYVSXYUVAZEVDC-ONOSFVFSSA-N 1 2 233.271 0.294 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906698529 638233761 /nfs/dbraw/zinc/23/37/61/638233761.db2.gz WVLGKJDRPYYYAU-ZMLRMANQSA-N 1 2 249.314 0.937 20 0 BCADLO CCc1nc[nH]c1C(=O)NCc1[nH]c[nH+]c1C ZINC000906883834 638268571 /nfs/dbraw/zinc/26/85/71/638268571.db2.gz QRSLPUDSQATXCV-UHFFFAOYSA-N 1 2 233.275 0.934 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000907260171 638334109 /nfs/dbraw/zinc/33/41/09/638334109.db2.gz IIQLQDXSSNPGCS-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](O)[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907264980 638337030 /nfs/dbraw/zinc/33/70/30/638337030.db2.gz OQVPFSYJKPRGRM-QWRGUYRKSA-N 1 2 249.314 0.723 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000907309017 638337519 /nfs/dbraw/zinc/33/75/19/638337519.db2.gz YTSPBTFRHRMHOY-KOLCDFICSA-N 1 2 239.319 0.486 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907311677 638338018 /nfs/dbraw/zinc/33/80/18/638338018.db2.gz KYTUREYCRQRNFK-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000907309019 638338285 /nfs/dbraw/zinc/33/82/85/638338285.db2.gz YTSPBTFRHRMHOY-ONGXEEELSA-N 1 2 239.319 0.486 20 0 BCADLO CC1(C)OCC(NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000907362947 638361351 /nfs/dbraw/zinc/36/13/51/638361351.db2.gz RMWFGXPIAZWJBF-UHFFFAOYSA-N 1 2 239.275 0.220 20 0 BCADLO Cc1nc(NCc2ccn(C)n2)nc(N)[nH+]1 ZINC000304462096 711453293 /nfs/dbraw/zinc/45/32/93/711453293.db2.gz MJXOJOKBTTZKHL-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO Cc1nc(N)nc(NCc2ccn(C)n2)[nH+]1 ZINC000304462096 711453295 /nfs/dbraw/zinc/45/32/95/711453295.db2.gz MJXOJOKBTTZKHL-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000907550660 638405069 /nfs/dbraw/zinc/40/50/69/638405069.db2.gz QUFANDVUTPEYAD-UWVGGRQHSA-N 1 2 223.276 0.372 20 0 BCADLO CN(CC1(CO)CC1)C(=O)CNc1cccc[nH+]1 ZINC000907607411 638408249 /nfs/dbraw/zinc/40/82/49/638408249.db2.gz KIAZAQZYPKNXDC-UHFFFAOYSA-N 1 2 249.314 0.724 20 0 BCADLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC000907622312 638422101 /nfs/dbraw/zinc/42/21/01/638422101.db2.gz MKMXGSBUTUKCNQ-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907642093 638431460 /nfs/dbraw/zinc/43/14/60/638431460.db2.gz GRLTYJAWWUHCEA-YUMQZZPRSA-N 1 2 211.265 0.492 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H]1CC[C@@H](O)C1 ZINC000907674908 638442000 /nfs/dbraw/zinc/44/20/00/638442000.db2.gz HIJSGRGQZNCDPC-WDEREUQCSA-N 1 2 249.314 0.771 20 0 BCADLO CC(C)C1(O)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907761602 638462611 /nfs/dbraw/zinc/46/26/11/638462611.db2.gz RSCVWDCDYVILQM-UHFFFAOYSA-N 1 2 249.314 0.723 20 0 BCADLO CSC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000907832323 638482216 /nfs/dbraw/zinc/48/22/16/638482216.db2.gz MXMKDVCCPRUYQT-UHFFFAOYSA-N 1 2 225.317 0.964 20 0 BCADLO CN(CCCO)C(=O)CNc1cccc[nH+]1 ZINC000908003072 638543334 /nfs/dbraw/zinc/54/33/34/638543334.db2.gz BIGCCPCEUXCONK-UHFFFAOYSA-N 1 2 223.276 0.334 20 0 BCADLO C[C@@H]1CSC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908150412 638572332 /nfs/dbraw/zinc/57/23/32/638572332.db2.gz HOGYEVOTRRVBCL-VXNVDRBHSA-N 1 2 225.317 0.820 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCF ZINC000908146965 638572921 /nfs/dbraw/zinc/57/29/21/638572921.db2.gz WJSCBPFYRJWBSR-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@H]1CSC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908150410 638573268 /nfs/dbraw/zinc/57/32/68/638573268.db2.gz HOGYEVOTRRVBCL-IONNQARKSA-N 1 2 225.317 0.820 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000908177943 638587191 /nfs/dbraw/zinc/58/71/91/638587191.db2.gz OGKYDGQMQXKUGF-JTQLQIEISA-N 1 2 237.303 0.987 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908175879 638588633 /nfs/dbraw/zinc/58/86/33/638588633.db2.gz BFSRHLYJBKQKRP-QMMMGPOBSA-N 1 2 211.265 0.446 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000908257674 638624823 /nfs/dbraw/zinc/62/48/23/638624823.db2.gz FALQCUFABAZPSA-WPRPVWTQSA-N 1 2 225.292 0.443 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000908260424 638626733 /nfs/dbraw/zinc/62/67/33/638626733.db2.gz KNNLNXPINXYOTE-GZTOBOFZSA-N 1 2 237.303 0.754 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908321206 638643596 /nfs/dbraw/zinc/64/35/96/638643596.db2.gz WZMAUZCXSGLNJW-SECBINFHSA-N 1 2 223.276 0.324 20 0 BCADLO COCC[C@H](COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908292349 638646107 /nfs/dbraw/zinc/64/61/07/638646107.db2.gz ZAHKHPLNUUUSIV-SECBINFHSA-N 1 2 241.291 0.120 20 0 BCADLO COCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908351075 638662292 /nfs/dbraw/zinc/66/22/92/638662292.db2.gz CPRWDZKMVXVQHB-UHFFFAOYSA-N 1 2 225.292 0.741 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000908385256 638682315 /nfs/dbraw/zinc/68/23/15/638682315.db2.gz BXIYUWBYQPZYSV-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO CCN(CC(C)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC000908393024 638692185 /nfs/dbraw/zinc/69/21/85/638692185.db2.gz ZCCRXYWYXOCZOV-UHFFFAOYSA-N 1 2 223.276 0.698 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000908387625 638701544 /nfs/dbraw/zinc/70/15/44/638701544.db2.gz DQRISVWRRPDUGP-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908446238 638718148 /nfs/dbraw/zinc/71/81/48/638718148.db2.gz RPGDGCWGNRBRDU-BXKDBHETSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000908465462 638726162 /nfs/dbraw/zinc/72/61/62/638726162.db2.gz NEBQNMAPTMQRFP-MRVPVSSYSA-N 1 2 233.271 0.293 20 0 BCADLO C[C@H](C(=O)NC1CC(=O)C1)[NH+]1CCSCC1 ZINC000908472372 638737664 /nfs/dbraw/zinc/73/76/64/638737664.db2.gz CELJJKTZGQSBIG-MRVPVSSYSA-N 1 2 242.344 0.271 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(C1CC1)C1COC1 ZINC000908508763 639003259 /nfs/dbraw/zinc/00/32/59/639003259.db2.gz DUIBPLGARGDSRB-UHFFFAOYSA-N 1 2 221.260 0.342 20 0 BCADLO C/C(=C/C(=O)N1CCOC1)C[NH+]1CCOCC1 ZINC000908706512 639057373 /nfs/dbraw/zinc/05/73/73/639057373.db2.gz MQTCHQYJIYDULC-FLIBITNWSA-N 1 2 240.303 0.081 20 0 BCADLO CC(C)C[C@@H](C(=O)Nn1ccnn1)n1cc[nH+]c1 ZINC000908827997 639072967 /nfs/dbraw/zinc/07/29/67/639072967.db2.gz UXAOKGBCZHLJHV-JTQLQIEISA-N 1 2 248.290 0.832 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856534 639233498 /nfs/dbraw/zinc/23/34/98/639233498.db2.gz NOBQKKDZOVFVSJ-XOULXFPDSA-N 1 2 223.276 0.016 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000034745190 711469350 /nfs/dbraw/zinc/46/93/50/711469350.db2.gz FIVIEZGCEHPSNN-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000034745190 711469351 /nfs/dbraw/zinc/46/93/51/711469351.db2.gz FIVIEZGCEHPSNN-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000910436463 639447114 /nfs/dbraw/zinc/44/71/14/639447114.db2.gz VLRWTNYFKJBWAS-UTLUCORTSA-N 1 2 237.303 0.882 20 0 BCADLO Cc1c(NC(=O)CNc2cccc[nH+]2)nnn1C ZINC000910587586 639479882 /nfs/dbraw/zinc/47/98/82/639479882.db2.gz WUVGWQIPWZUMPO-UHFFFAOYSA-N 1 2 246.274 0.569 20 0 BCADLO COCCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000910942301 639548416 /nfs/dbraw/zinc/54/84/16/639548416.db2.gz SFHKWUUIAJUXCN-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CC(C)NC(=S)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044093398 639585281 /nfs/dbraw/zinc/58/52/81/639585281.db2.gz BUMLLKUIZMMHGC-JTQLQIEISA-N 1 2 245.392 0.580 20 0 BCADLO CCn1nc(C)c(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000911277346 639607457 /nfs/dbraw/zinc/60/74/57/639607457.db2.gz TYLRAPZKDYRIMX-UHFFFAOYSA-N 1 2 248.290 0.188 20 0 BCADLO COc1nccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000930223072 639640048 /nfs/dbraw/zinc/64/00/48/639640048.db2.gz URBLNRGBGCPFJS-UHFFFAOYSA-N 1 2 247.258 0.112 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000930243260 639652389 /nfs/dbraw/zinc/65/23/89/639652389.db2.gz CGNKXSDQFXOZCU-BBBLOLIVSA-N 1 2 230.283 0.829 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000930243260 639652397 /nfs/dbraw/zinc/65/23/97/639652397.db2.gz CGNKXSDQFXOZCU-BBBLOLIVSA-N 1 2 230.283 0.829 20 0 BCADLO C[C@H]1C(=O)N(C)CN1C(=O)CNc1cccc[nH+]1 ZINC000911601217 639673004 /nfs/dbraw/zinc/67/30/04/639673004.db2.gz LOJVNGRVDAYCFC-VIFPVBQESA-N 1 2 248.286 0.140 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000930304153 639680546 /nfs/dbraw/zinc/68/05/46/639680546.db2.gz SVUFQKBISKVNKR-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000930304153 639680549 /nfs/dbraw/zinc/68/05/49/639680549.db2.gz SVUFQKBISKVNKR-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000930351748 639721142 /nfs/dbraw/zinc/72/11/42/639721142.db2.gz BZVOSFNLABNIRI-YOFDESEISA-N 1 2 241.287 0.205 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000930351748 639721150 /nfs/dbraw/zinc/72/11/50/639721150.db2.gz BZVOSFNLABNIRI-YOFDESEISA-N 1 2 241.287 0.205 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000930462066 639765257 /nfs/dbraw/zinc/76/52/57/639765257.db2.gz FEHKTZLXFIHKFT-KWQFWETISA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000930462066 639765262 /nfs/dbraw/zinc/76/52/62/639765262.db2.gz FEHKTZLXFIHKFT-KWQFWETISA-N 1 2 208.261 0.139 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1c(F)cncc1F ZINC000930471813 639769224 /nfs/dbraw/zinc/76/92/24/639769224.db2.gz RIDWAMKUQXVXMX-UHFFFAOYSA-N 1 2 229.230 0.667 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1c(F)cncc1F ZINC000930471813 639769231 /nfs/dbraw/zinc/76/92/31/639769231.db2.gz RIDWAMKUQXVXMX-UHFFFAOYSA-N 1 2 229.230 0.667 20 0 BCADLO Nc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC000911752969 639781852 /nfs/dbraw/zinc/78/18/52/639781852.db2.gz VMJMHPSNHRPJBO-LURJTMIESA-N 1 2 230.218 0.585 20 0 BCADLO CC[C@H](CO)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499074 639786195 /nfs/dbraw/zinc/78/61/95/639786195.db2.gz UKKXYJCYMNEVKU-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@H](CO)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499074 639786199 /nfs/dbraw/zinc/78/61/99/639786199.db2.gz UKKXYJCYMNEVKU-RKDXNWHRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H]1C[C@H]1C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000930528769 639802394 /nfs/dbraw/zinc/80/23/94/639802394.db2.gz OUTRNFFHVYYEMD-ZJUUUORDSA-N 1 2 236.319 0.632 20 0 BCADLO CC[C@@H]1C[C@H]1C[N@H+]1CCn2nnc(CO)c2C1 ZINC000930528769 639802398 /nfs/dbraw/zinc/80/23/98/639802398.db2.gz OUTRNFFHVYYEMD-ZJUUUORDSA-N 1 2 236.319 0.632 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@@H]21 ZINC000930544989 639809447 /nfs/dbraw/zinc/80/94/47/639809447.db2.gz RQQNUIYLKWVMJL-ZNSHCXBVSA-N 1 2 247.298 0.888 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@@H]21 ZINC000930544989 639809449 /nfs/dbraw/zinc/80/94/49/639809449.db2.gz RQQNUIYLKWVMJL-ZNSHCXBVSA-N 1 2 247.298 0.888 20 0 BCADLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)CO ZINC000930581107 639814125 /nfs/dbraw/zinc/81/41/25/639814125.db2.gz OTWAEDMQCXUCGW-MRVPVSSYSA-N 1 2 231.242 0.750 20 0 BCADLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)CO ZINC000930581107 639814127 /nfs/dbraw/zinc/81/41/27/639814127.db2.gz OTWAEDMQCXUCGW-MRVPVSSYSA-N 1 2 231.242 0.750 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622743 639825784 /nfs/dbraw/zinc/82/57/84/639825784.db2.gz GIXKAJFOKNPMCP-NSHDSACASA-N 1 2 245.273 0.930 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622743 639825789 /nfs/dbraw/zinc/82/57/89/639825789.db2.gz GIXKAJFOKNPMCP-NSHDSACASA-N 1 2 245.273 0.930 20 0 BCADLO CC(C)c1nsc(C[NH2+]C(CO)CO)n1 ZINC000930624973 639827874 /nfs/dbraw/zinc/82/78/74/639827874.db2.gz JKCVFJAMCZIPEM-UHFFFAOYSA-N 1 2 231.321 0.104 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000930651214 639845430 /nfs/dbraw/zinc/84/54/30/639845430.db2.gz XKLIHBZPWRJRNT-SNVBAGLBSA-N 1 2 240.282 0.302 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnn(CCF)c1 ZINC000930651214 639845432 /nfs/dbraw/zinc/84/54/32/639845432.db2.gz XKLIHBZPWRJRNT-SNVBAGLBSA-N 1 2 240.282 0.302 20 0 BCADLO CCC[C@H](C)[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911875629 639863367 /nfs/dbraw/zinc/86/33/67/639863367.db2.gz UJXLRLISFYGZJP-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ncccn1 ZINC000930703488 639869553 /nfs/dbraw/zinc/86/95/53/639869553.db2.gz ARLIACSRUKAWNY-LPEHRKFASA-N 1 2 223.276 0.541 20 0 BCADLO CC/C=C\CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930733982 639883565 /nfs/dbraw/zinc/88/35/65/639883565.db2.gz LQNXRXRWDCYLTH-ARJAWSKDSA-N 1 2 218.322 0.315 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930737939 639885992 /nfs/dbraw/zinc/88/59/92/639885992.db2.gz LAFQXTYHNCTPKZ-ZJUUUORDSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930737939 639885997 /nfs/dbraw/zinc/88/59/97/639885997.db2.gz LAFQXTYHNCTPKZ-ZJUUUORDSA-N 1 2 201.266 0.047 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000930839206 639939021 /nfs/dbraw/zinc/93/90/21/639939021.db2.gz KRXNAASVRJCISZ-AEJSXWLSSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccc(N)nc1 ZINC000930839206 639939026 /nfs/dbraw/zinc/93/90/26/639939026.db2.gz KRXNAASVRJCISZ-AEJSXWLSSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOC(F)F ZINC000930843440 639941742 /nfs/dbraw/zinc/94/17/42/639941742.db2.gz RPEZVHKGIJZAKW-RNJXMRFFSA-N 1 2 236.262 0.823 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOC(F)F ZINC000930843440 639941747 /nfs/dbraw/zinc/94/17/47/639941747.db2.gz RPEZVHKGIJZAKW-RNJXMRFFSA-N 1 2 236.262 0.823 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]1C(F)(F)F ZINC000912080227 639950326 /nfs/dbraw/zinc/95/03/26/639950326.db2.gz DBCFWEAOBVXRFS-QMMMGPOBSA-N 1 2 249.192 0.630 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930862334 639953427 /nfs/dbraw/zinc/95/34/27/639953427.db2.gz KGCZAEIWASERJJ-MGYZXECHSA-N 1 2 243.328 0.311 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930862334 639953431 /nfs/dbraw/zinc/95/34/31/639953431.db2.gz KGCZAEIWASERJJ-MGYZXECHSA-N 1 2 243.328 0.311 20 0 BCADLO CC1(C)C[C@@](C)([NH2+]CCC2OCCO2)C(=O)O1 ZINC000930874771 639964823 /nfs/dbraw/zinc/96/48/23/639964823.db2.gz IQYTWSMGCSZLQM-GFCCVEGCSA-N 1 2 243.303 0.823 20 0 BCADLO C[C@H]1CCCCN1NC(=O)Cc1[nH]cc[nH+]1 ZINC000912143287 639968747 /nfs/dbraw/zinc/96/87/47/639968747.db2.gz ZICRGYRRBVAOBZ-VIFPVBQESA-N 1 2 222.292 0.858 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)[C@@H](C)O)n1 ZINC000930889107 639973423 /nfs/dbraw/zinc/97/34/23/639973423.db2.gz HJEOWMWPEGPFMI-OOZYFLPDSA-N 1 2 229.280 0.113 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)[C@@H](C)O)n1 ZINC000930889107 639973427 /nfs/dbraw/zinc/97/34/27/639973427.db2.gz HJEOWMWPEGPFMI-OOZYFLPDSA-N 1 2 229.280 0.113 20 0 BCADLO C[C@@H]1C[NH+](Cc2nncs2)C[C@@H](C)C1O ZINC000930995223 640013321 /nfs/dbraw/zinc/01/33/21/640013321.db2.gz HKAYTZSVMAXFFU-HTQZYQBOSA-N 1 2 227.333 0.987 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)C1CCC1 ZINC000912296918 640019228 /nfs/dbraw/zinc/01/92/28/640019228.db2.gz NHARVLKAMLWFNI-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H](CO)C1CCC1 ZINC000912297638 640019825 /nfs/dbraw/zinc/01/98/25/640019825.db2.gz SSGJYTZQNIBSBO-NSHDSACASA-N 1 2 249.314 0.771 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CCO1 ZINC000931035621 640027989 /nfs/dbraw/zinc/02/79/89/640027989.db2.gz QVASAHDMAZIRLV-BJDJZHNGSA-N 1 2 243.303 0.095 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CCO1 ZINC000931035621 640027992 /nfs/dbraw/zinc/02/79/92/640027992.db2.gz QVASAHDMAZIRLV-BJDJZHNGSA-N 1 2 243.303 0.095 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCO[C@H](OC)C1 ZINC000931035602 640029253 /nfs/dbraw/zinc/02/92/53/640029253.db2.gz QKWLEFFBAQXMLW-FGUAACIASA-N 1 2 215.293 0.884 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCO[C@H](OC)C1 ZINC000931035602 640029258 /nfs/dbraw/zinc/02/92/58/640029258.db2.gz QKWLEFFBAQXMLW-FGUAACIASA-N 1 2 215.293 0.884 20 0 BCADLO COC(=O)C12CC(C1)CN2C(=O)Cc1c[nH+]c[nH]1 ZINC000912398856 640052100 /nfs/dbraw/zinc/05/21/00/640052100.db2.gz AWSNUQQXFHKHNJ-UHFFFAOYSA-N 1 2 249.270 0.116 20 0 BCADLO Cc1nocc1C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931190597 640097391 /nfs/dbraw/zinc/09/73/91/640097391.db2.gz KGFMAZWOHLDBFO-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO Cc1nocc1C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931190597 640097398 /nfs/dbraw/zinc/09/73/98/640097398.db2.gz KGFMAZWOHLDBFO-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO Cn1[nH]c(=O)c2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC000931199609 640100143 /nfs/dbraw/zinc/10/01/43/640100143.db2.gz DEJIYGXDRFSMTK-UHFFFAOYSA-N 1 2 233.275 0.407 20 0 BCADLO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000931199609 640100150 /nfs/dbraw/zinc/10/01/50/640100150.db2.gz DEJIYGXDRFSMTK-UHFFFAOYSA-N 1 2 233.275 0.407 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC(O)(C1CC1)C1CC1 ZINC000912521891 640107233 /nfs/dbraw/zinc/10/72/33/640107233.db2.gz MIKGUHAZMVLCDH-UHFFFAOYSA-N 1 2 249.314 0.620 20 0 BCADLO CCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234958 640109060 /nfs/dbraw/zinc/10/90/60/640109060.db2.gz CFGSOXUKWKZBII-UHFFFAOYSA-N 1 2 205.323 0.905 20 0 BCADLO CCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234958 640109064 /nfs/dbraw/zinc/10/90/64/640109064.db2.gz CFGSOXUKWKZBII-UHFFFAOYSA-N 1 2 205.323 0.905 20 0 BCADLO COCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931236364 640110313 /nfs/dbraw/zinc/11/03/13/640110313.db2.gz ZQFNOIVMMWTPLA-UHFFFAOYSA-N 1 2 221.322 0.142 20 0 BCADLO COCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931236364 640110316 /nfs/dbraw/zinc/11/03/16/640110316.db2.gz ZQFNOIVMMWTPLA-UHFFFAOYSA-N 1 2 221.322 0.142 20 0 BCADLO COc1cccc2c1C[N@H+](C[C@H](O)CO)C2 ZINC000931261602 640121095 /nfs/dbraw/zinc/12/10/95/640121095.db2.gz CLFPYGVIFLKYGN-JTQLQIEISA-N 1 2 223.272 0.364 20 0 BCADLO COc1cccc2c1C[N@@H+](C[C@H](O)CO)C2 ZINC000931261602 640121103 /nfs/dbraw/zinc/12/11/03/640121103.db2.gz CLFPYGVIFLKYGN-JTQLQIEISA-N 1 2 223.272 0.364 20 0 BCADLO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)c1nn[nH]n1 ZINC000912618472 640129991 /nfs/dbraw/zinc/12/99/91/640129991.db2.gz VNPZDLZYFKSBIH-QMMMGPOBSA-N 1 2 238.295 0.037 20 0 BCADLO CCC[N@H+]1CCC[C@H]1C(=O)N(C)c1nn[nH]n1 ZINC000912618472 640129997 /nfs/dbraw/zinc/12/99/97/640129997.db2.gz VNPZDLZYFKSBIH-QMMMGPOBSA-N 1 2 238.295 0.037 20 0 BCADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)n1cccn1 ZINC000912626467 640141739 /nfs/dbraw/zinc/14/17/39/640141739.db2.gz UOMYJOWTKRSACK-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000931313907 640152747 /nfs/dbraw/zinc/15/27/47/640152747.db2.gz QSLUQUHPJHYRAC-QMMMGPOBSA-N 1 2 248.286 0.085 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000931313907 640152751 /nfs/dbraw/zinc/15/27/51/640152751.db2.gz QSLUQUHPJHYRAC-QMMMGPOBSA-N 1 2 248.286 0.085 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCCS(C)(=O)=O ZINC000931395236 640169581 /nfs/dbraw/zinc/16/95/81/640169581.db2.gz NIDYTAJFFSJQSX-PHIMTYICSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCCS(C)(=O)=O ZINC000931395236 640169590 /nfs/dbraw/zinc/16/95/90/640169590.db2.gz NIDYTAJFFSJQSX-PHIMTYICSA-N 1 2 246.376 0.200 20 0 BCADLO CC(C)CC[C@@H](O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931400418 640179767 /nfs/dbraw/zinc/17/97/67/640179767.db2.gz YKHFCUUWZFHOBX-QWHCGFSZSA-N 1 2 244.379 0.392 20 0 BCADLO CC(C)CC[C@@H](O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931400418 640179772 /nfs/dbraw/zinc/17/97/72/640179772.db2.gz YKHFCUUWZFHOBX-QWHCGFSZSA-N 1 2 244.379 0.392 20 0 BCADLO CC/C=C/CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931401290 640183741 /nfs/dbraw/zinc/18/37/41/640183741.db2.gz IKHHMJSAPFCQIE-ZYOFXKKJSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C/CCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931401290 640183747 /nfs/dbraw/zinc/18/37/47/640183747.db2.gz IKHHMJSAPFCQIE-ZYOFXKKJSA-N 1 2 212.337 0.951 20 0 BCADLO C[N@@H+]1CCN(C(=O)C(F)=C2CCC2)[C@H](CO)C1 ZINC000912735615 640187637 /nfs/dbraw/zinc/18/76/37/640187637.db2.gz BSSHERIFORBOFY-JTQLQIEISA-N 1 2 242.294 0.529 20 0 BCADLO C[N@H+]1CCN(C(=O)C(F)=C2CCC2)[C@H](CO)C1 ZINC000912735615 640187642 /nfs/dbraw/zinc/18/76/42/640187642.db2.gz BSSHERIFORBOFY-JTQLQIEISA-N 1 2 242.294 0.529 20 0 BCADLO CCn1nccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000912765113 640197240 /nfs/dbraw/zinc/19/72/40/640197240.db2.gz SLBMKIYJBYXCQS-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCNC(=O)C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456180 640210268 /nfs/dbraw/zinc/21/02/68/640210268.db2.gz SPHPEWVXLQLBGH-MRVPVSSYSA-N 1 2 222.292 0.465 20 0 BCADLO CCNC(=O)C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456180 640210275 /nfs/dbraw/zinc/21/02/75/640210275.db2.gz SPHPEWVXLQLBGH-MRVPVSSYSA-N 1 2 222.292 0.465 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)Cc2c[nH]nc21 ZINC000931451604 640211913 /nfs/dbraw/zinc/21/19/13/640211913.db2.gz DGQNBDUDNCEXFB-JTQLQIEISA-N 1 2 248.330 0.951 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)Cc2c[nH]nc21 ZINC000931451604 640211925 /nfs/dbraw/zinc/21/19/25/640211925.db2.gz DGQNBDUDNCEXFB-JTQLQIEISA-N 1 2 248.330 0.951 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)Cc2c[nH]nc21 ZINC000931455776 640213641 /nfs/dbraw/zinc/21/36/41/640213641.db2.gz LVLTWNAPNCVRQA-SECBINFHSA-N 1 2 248.330 0.950 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)Cc2c[nH]nc21 ZINC000931455776 640213647 /nfs/dbraw/zinc/21/36/47/640213647.db2.gz LVLTWNAPNCVRQA-SECBINFHSA-N 1 2 248.330 0.950 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)Cc2c[nH]nc21 ZINC000931451605 640214238 /nfs/dbraw/zinc/21/42/38/640214238.db2.gz DGQNBDUDNCEXFB-SNVBAGLBSA-N 1 2 248.330 0.951 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)Cc2c[nH]nc21 ZINC000931451605 640214242 /nfs/dbraw/zinc/21/42/42/640214242.db2.gz DGQNBDUDNCEXFB-SNVBAGLBSA-N 1 2 248.330 0.951 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C)Cc2c[nH]nc21 ZINC000931458683 640215302 /nfs/dbraw/zinc/21/53/02/640215302.db2.gz JWJQZSLWNOOVTG-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)Cc2c[nH]nc21 ZINC000931458683 640215308 /nfs/dbraw/zinc/21/53/08/640215308.db2.gz JWJQZSLWNOOVTG-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H]1C[N@H+](Cc2nncn2C)Cc2c[nH]nc21 ZINC000931458748 640216089 /nfs/dbraw/zinc/21/60/89/640216089.db2.gz ILTAUAHZCXEGAR-QMMMGPOBSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nncn2C)Cc2c[nH]nc21 ZINC000931458748 640216099 /nfs/dbraw/zinc/21/60/99/640216099.db2.gz ILTAUAHZCXEGAR-QMMMGPOBSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457920 640216737 /nfs/dbraw/zinc/21/67/37/640216737.db2.gz CVGQAFYMEKXJKU-SCZZXKLOSA-N 1 2 234.303 0.560 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457920 640216740 /nfs/dbraw/zinc/21/67/40/640216740.db2.gz CVGQAFYMEKXJKU-SCZZXKLOSA-N 1 2 234.303 0.560 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@](C)=O)Cc2c[nH]nc21 ZINC000931460999 640218822 /nfs/dbraw/zinc/21/88/22/640218822.db2.gz PKNZSTBOQJIWTH-GLEZIHRCSA-N 1 2 227.333 0.707 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)Cc2c[nH]nc21 ZINC000931460999 640218825 /nfs/dbraw/zinc/21/88/25/640218825.db2.gz PKNZSTBOQJIWTH-GLEZIHRCSA-N 1 2 227.333 0.707 20 0 BCADLO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965943 640268013 /nfs/dbraw/zinc/26/80/13/640268013.db2.gz KYKMGEZFSFQKAT-JTQLQIEISA-N 1 2 249.318 0.564 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnn(CCF)c1 ZINC000913007854 640273691 /nfs/dbraw/zinc/27/36/91/640273691.db2.gz WUTYMTGYHGYXRO-UHFFFAOYSA-N 1 2 237.238 0.757 20 0 BCADLO C[S@@](=N)(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000931611374 640288355 /nfs/dbraw/zinc/28/83/55/640288355.db2.gz TZVFLATVXGESAB-INIZCTEOSA-N 1 2 247.364 0.375 20 0 BCADLO C/C=C/CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913166011 640316141 /nfs/dbraw/zinc/31/61/41/640316141.db2.gz GHDCHLSNRDYOCR-CGNZLZDRSA-N 1 2 238.331 0.957 20 0 BCADLO O=[S@](CC[N@H+]1CC=C[C@H]1CO)C(F)(F)F ZINC000931702074 640325182 /nfs/dbraw/zinc/32/51/82/640325182.db2.gz AWIOXTUDYPGTIN-NZFNHWASSA-N 1 2 243.250 0.488 20 0 BCADLO O=[S@](CC[N@@H+]1CC=C[C@H]1CO)C(F)(F)F ZINC000931702074 640325190 /nfs/dbraw/zinc/32/51/90/640325190.db2.gz AWIOXTUDYPGTIN-NZFNHWASSA-N 1 2 243.250 0.488 20 0 BCADLO COC(=O)c1cncc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000931703386 640327876 /nfs/dbraw/zinc/32/78/76/640327876.db2.gz ITCNQQGALYSROE-LBPRGKRZSA-N 1 2 248.282 0.601 20 0 BCADLO COC(=O)c1cncc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000931703386 640327881 /nfs/dbraw/zinc/32/78/81/640327881.db2.gz ITCNQQGALYSROE-LBPRGKRZSA-N 1 2 248.282 0.601 20 0 BCADLO Cc1c[nH+]c(CNC(=O)c2cccn(C)c2=O)[nH]1 ZINC000913215354 640330116 /nfs/dbraw/zinc/33/01/16/640330116.db2.gz GTVQUEVMEVJMOR-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO CC1(C)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913449810 640372648 /nfs/dbraw/zinc/37/26/48/640372648.db2.gz PWPUHFQTYXLNAD-WDEREUQCSA-N 1 2 248.330 0.929 20 0 BCADLO O=C(C=C1CCC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448049 640373262 /nfs/dbraw/zinc/37/32/62/640373262.db2.gz XNZPPVACVPYXPT-LBPRGKRZSA-N 1 2 246.314 0.993 20 0 BCADLO O=C(C=C1CCC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448048 640373501 /nfs/dbraw/zinc/37/35/01/640373501.db2.gz XNZPPVACVPYXPT-GFCCVEGCSA-N 1 2 246.314 0.993 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544831 640391360 /nfs/dbraw/zinc/39/13/60/640391360.db2.gz NLLZQAAUPZGJOG-NXEZZACHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544831 640391366 /nfs/dbraw/zinc/39/13/66/640391366.db2.gz NLLZQAAUPZGJOG-NXEZZACHSA-N 1 2 232.299 0.115 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](CC3OCCO3)C2)no1 ZINC000931939262 640396725 /nfs/dbraw/zinc/39/67/25/640396725.db2.gz SIQXJROBZCHDGV-VIFPVBQESA-N 1 2 239.275 0.540 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](CC3OCCO3)C2)no1 ZINC000931939262 640396729 /nfs/dbraw/zinc/39/67/29/640396729.db2.gz SIQXJROBZCHDGV-VIFPVBQESA-N 1 2 239.275 0.540 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545286 640396972 /nfs/dbraw/zinc/39/69/72/640396972.db2.gz ZKZGFLUYQCNVAA-SDDRHHMPSA-N 1 2 240.347 0.413 20 0 BCADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545286 640396975 /nfs/dbraw/zinc/39/69/75/640396975.db2.gz ZKZGFLUYQCNVAA-SDDRHHMPSA-N 1 2 240.347 0.413 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932272333 640469423 /nfs/dbraw/zinc/46/94/23/640469423.db2.gz CWBXKEYXGMFJJJ-NSHDSACASA-N 1 2 236.319 0.693 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932272333 640469428 /nfs/dbraw/zinc/46/94/28/640469428.db2.gz CWBXKEYXGMFJJJ-NSHDSACASA-N 1 2 236.319 0.693 20 0 BCADLO CCNC(=O)C[NH+]1CCN(C/C=C/Cl)CC1 ZINC000045005485 640485673 /nfs/dbraw/zinc/48/56/73/640485673.db2.gz OGRFTVIAYNGHKN-ONEGZZNKSA-N 1 2 245.754 0.493 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932359449 640498868 /nfs/dbraw/zinc/49/88/68/640498868.db2.gz FRRHMLYUZAYEEP-GFCCVEGCSA-N 1 2 248.330 0.996 20 0 BCADLO CCNC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932367001 640500766 /nfs/dbraw/zinc/50/07/66/640500766.db2.gz LMXZQCBKYKYLSX-NSHDSACASA-N 1 2 234.303 0.653 20 0 BCADLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(C)C ZINC000932366935 640501605 /nfs/dbraw/zinc/50/16/05/640501605.db2.gz KFZZWKIIBLCGQO-GXSJLCMTSA-N 1 2 248.330 0.994 20 0 BCADLO COCCOC[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000164809659 640507720 /nfs/dbraw/zinc/50/77/20/640507720.db2.gz FVCGIDDBRFMTMD-VIFPVBQESA-N 1 2 213.281 0.551 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001030038649 640528208 /nfs/dbraw/zinc/52/82/08/640528208.db2.gz SCUFIGRHLKJMQN-ZCFIWIBFSA-N 1 2 224.226 0.800 20 0 BCADLO O=C(NC1C[NH+](CCOC2CCC2)C1)C1CC1 ZINC001030039371 640531342 /nfs/dbraw/zinc/53/13/42/640531342.db2.gz FCUKCUVBKXBMMZ-UHFFFAOYSA-N 1 2 238.331 0.766 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CC2)C1 ZINC001030040957 640535709 /nfs/dbraw/zinc/53/57/09/640535709.db2.gz HWQRNPQNVZDHQH-MRVPVSSYSA-N 1 2 212.293 0.232 20 0 BCADLO Cn1c[nH+]cc1CN1CC(NC(=O)CC2CC2)C1 ZINC001030045833 640537289 /nfs/dbraw/zinc/53/72/89/640537289.db2.gz HWYDUJLUGLZHQU-UHFFFAOYSA-N 1 2 248.330 0.521 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nnc(C(C)C)[nH]1 ZINC000932479785 640540044 /nfs/dbraw/zinc/54/00/44/640540044.db2.gz KNJRVILDYIRNMX-UHFFFAOYSA-N 1 2 239.323 0.625 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nnc(C(C)C)[nH]1 ZINC000932479785 640540053 /nfs/dbraw/zinc/54/00/53/640540053.db2.gz KNJRVILDYIRNMX-UHFFFAOYSA-N 1 2 239.323 0.625 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030050174 640546028 /nfs/dbraw/zinc/54/60/28/640546028.db2.gz XZNHYMYNLRSEBK-UHFFFAOYSA-N 1 2 205.261 0.516 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030055250 640552901 /nfs/dbraw/zinc/55/29/01/640552901.db2.gz UVIFHHLSDSPCQV-VIFPVBQESA-N 1 2 238.287 0.729 20 0 BCADLO Cn1nncc1C[N@@H+]1CCn2cccc2C1 ZINC000932525001 640563759 /nfs/dbraw/zinc/56/37/59/640563759.db2.gz RYOYHFGGVWDNKY-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1nncc1C[N@H+]1CCn2cccc2C1 ZINC000932525001 640563762 /nfs/dbraw/zinc/56/37/62/640563762.db2.gz RYOYHFGGVWDNKY-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCn2cccc2C1 ZINC000932528780 640568602 /nfs/dbraw/zinc/56/86/02/640568602.db2.gz PMMKTHYFCVIHDA-NSHDSACASA-N 1 2 219.288 0.582 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCn2cccc2C1 ZINC000932528780 640568607 /nfs/dbraw/zinc/56/86/07/640568607.db2.gz PMMKTHYFCVIHDA-NSHDSACASA-N 1 2 219.288 0.582 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCn3cccc3C2)C1=O ZINC000932528743 640570105 /nfs/dbraw/zinc/57/01/05/640570105.db2.gz OSEORRSIHVVJDK-GFCCVEGCSA-N 1 2 233.315 0.925 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCn3cccc3C2)C1=O ZINC000932528743 640570115 /nfs/dbraw/zinc/57/01/15/640570115.db2.gz OSEORRSIHVVJDK-GFCCVEGCSA-N 1 2 233.315 0.925 20 0 BCADLO Cc1ccccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030068330 640572315 /nfs/dbraw/zinc/57/23/15/640572315.db2.gz LWDCHEDMYTYTGB-NSHDSACASA-N 1 2 248.326 0.790 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001030073794 640577057 /nfs/dbraw/zinc/57/70/57/640577057.db2.gz MHEPMSJBRQKVPP-UHFFFAOYSA-N 1 2 248.326 0.791 20 0 BCADLO OCCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607548 640582318 /nfs/dbraw/zinc/58/23/18/640582318.db2.gz XBCQZCOKXLLWET-UHFFFAOYSA-N 1 2 221.304 0.959 20 0 BCADLO OCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607548 640582322 /nfs/dbraw/zinc/58/23/22/640582322.db2.gz XBCQZCOKXLLWET-UHFFFAOYSA-N 1 2 221.304 0.959 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)o1 ZINC001030080313 640582516 /nfs/dbraw/zinc/58/25/16/640582516.db2.gz GKLHTQFHURSNAI-MRVPVSSYSA-N 1 2 238.287 0.383 20 0 BCADLO Cc1cc(NC(=O)[C@H]2OCCO[C@H]2C)cc[nH+]1 ZINC000932605761 640583324 /nfs/dbraw/zinc/58/33/24/640583324.db2.gz FZKQEGUXQYFBMI-ONGXEEELSA-N 1 2 236.271 0.554 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030088210 640585602 /nfs/dbraw/zinc/58/56/02/640585602.db2.gz DYPAAFLXBCFDGO-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000932639100 640592221 /nfs/dbraw/zinc/59/22/21/640592221.db2.gz LNECZQLCZKKNEW-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000932639100 640592227 /nfs/dbraw/zinc/59/22/27/640592227.db2.gz LNECZQLCZKKNEW-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030100026 640593019 /nfs/dbraw/zinc/59/30/19/640593019.db2.gz ZHISZHTUUNKTFB-GHMZBOCLSA-N 1 2 238.331 0.524 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccc(C)nc2)C1 ZINC001030109226 640596791 /nfs/dbraw/zinc/59/67/91/640596791.db2.gz VXMMQCKQCNROOM-UHFFFAOYSA-N 1 2 249.314 0.450 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000932644826 640597560 /nfs/dbraw/zinc/59/75/60/640597560.db2.gz RVDNFWCOLSUTHJ-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000932644826 640597566 /nfs/dbraw/zinc/59/75/66/640597566.db2.gz RVDNFWCOLSUTHJ-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO Cn1cccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030110110 640598087 /nfs/dbraw/zinc/59/80/87/640598087.db2.gz HAZZQDBRMKATKF-UHFFFAOYSA-N 1 2 239.294 0.799 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001030111168 640600729 /nfs/dbraw/zinc/60/07/29/640600729.db2.gz HBRJIXRMBQYVPK-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@@H]2CCCO2)C1 ZINC001030120960 640612109 /nfs/dbraw/zinc/61/21/09/640612109.db2.gz MDHMVCXOEMDHNC-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030123817 640618379 /nfs/dbraw/zinc/61/83/79/640618379.db2.gz VOOIPSGFOXWDAM-UHFFFAOYSA-N 1 2 234.303 0.790 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030130130 640622003 /nfs/dbraw/zinc/62/20/03/640622003.db2.gz LCFHVSXKNXBADE-GHMZBOCLSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030158769 640645121 /nfs/dbraw/zinc/64/51/21/640645121.db2.gz HCEJMXCBGQMGPU-QMMMGPOBSA-N 1 2 241.266 0.837 20 0 BCADLO Cc1ncc(C[N@@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937585 640651338 /nfs/dbraw/zinc/65/13/38/640651338.db2.gz NGPMVWPOIDDAPJ-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO Cc1ncc(C[N@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937585 640651343 /nfs/dbraw/zinc/65/13/43/640651343.db2.gz NGPMVWPOIDDAPJ-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030189988 640668681 /nfs/dbraw/zinc/66/86/81/640668681.db2.gz FQZBQIGQESKUME-ZJUUUORDSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001030192947 640669430 /nfs/dbraw/zinc/66/94/30/640669430.db2.gz SJWALXKVEMXTAU-GDNZZTSVSA-N 1 2 238.331 0.215 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030196041 640673169 /nfs/dbraw/zinc/67/31/69/640673169.db2.gz ZKDMVRKIJQMVKD-ZJUUUORDSA-N 1 2 240.347 0.868 20 0 BCADLO Cc1[nH]ccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030198699 640674876 /nfs/dbraw/zinc/67/48/76/640674876.db2.gz NXVRNNYWRBAEKO-UHFFFAOYSA-N 1 2 237.303 0.120 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001030199774 640675627 /nfs/dbraw/zinc/67/56/27/640675627.db2.gz FHLHAQQWXOHURC-YJQGPUDQSA-N 1 2 238.331 0.214 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933211588 640678650 /nfs/dbraw/zinc/67/86/50/640678650.db2.gz DKCHQTKZJPBGIC-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933211588 640678653 /nfs/dbraw/zinc/67/86/53/640678653.db2.gz DKCHQTKZJPBGIC-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1cccnc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030200615 640678863 /nfs/dbraw/zinc/67/88/63/640678863.db2.gz ZJVKIIUQPSSYMI-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO C(C1CC1)[C@@H]1COCC[N@@H+]1CC1OCCO1 ZINC000933210266 640680450 /nfs/dbraw/zinc/68/04/50/640680450.db2.gz WKVKWOWMJRIMTC-LLVKDONJSA-N 1 2 227.304 0.860 20 0 BCADLO C(C1CC1)[C@@H]1COCC[N@H+]1CC1OCCO1 ZINC000933210266 640680455 /nfs/dbraw/zinc/68/04/55/640680455.db2.gz WKVKWOWMJRIMTC-LLVKDONJSA-N 1 2 227.304 0.860 20 0 BCADLO Cc1[nH]ccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030203909 640680934 /nfs/dbraw/zinc/68/09/34/640680934.db2.gz TVKFWVFAFNYCGO-QMMMGPOBSA-N 1 2 237.303 0.118 20 0 BCADLO COCC[NH+]1CC(NC(=O)C=C2CCC2)C1 ZINC001030206716 640681886 /nfs/dbraw/zinc/68/18/86/640681886.db2.gz HICQQUPKIWYYIQ-UHFFFAOYSA-N 1 2 224.304 0.544 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccnc(C)n1 ZINC000933215417 640682499 /nfs/dbraw/zinc/68/24/99/640682499.db2.gz CZWAYMGYYFIBAV-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000933215417 640682500 /nfs/dbraw/zinc/68/25/00/640682500.db2.gz CZWAYMGYYFIBAV-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC(C)C ZINC000933223511 640684581 /nfs/dbraw/zinc/68/45/81/640684581.db2.gz CULYSHSFJGDIMP-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(C)C ZINC000933223511 640684585 /nfs/dbraw/zinc/68/45/85/640684585.db2.gz CULYSHSFJGDIMP-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO CCn1c[nH+]c2c1CCN(CCOCCO)C2 ZINC000933253489 640690460 /nfs/dbraw/zinc/69/04/60/640690460.db2.gz PGRSVJKGALCNJW-UHFFFAOYSA-N 1 2 239.319 0.270 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H]1CCOC1=O)C2 ZINC000933262962 640692978 /nfs/dbraw/zinc/69/29/78/640692978.db2.gz VXNJUQMHVFBQPX-NSHDSACASA-N 1 2 235.287 0.577 20 0 BCADLO CCn1c[nH+]c2c1CCN(Cc1ncnn1C)C2 ZINC000933260185 640693064 /nfs/dbraw/zinc/69/30/64/640693064.db2.gz KHUCNFXYGFYOOH-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2ccoc2)C1 ZINC001030244686 640703413 /nfs/dbraw/zinc/70/34/13/640703413.db2.gz UJRWOJSFMCFZPM-VIFPVBQESA-N 1 2 238.287 0.003 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCC(=O)C(C)C ZINC000933331720 640704147 /nfs/dbraw/zinc/70/41/47/640704147.db2.gz NYWVECIISOYLCG-NSHDSACASA-N 1 2 229.320 0.949 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCC(=O)C(C)C ZINC000933331720 640704152 /nfs/dbraw/zinc/70/41/52/640704152.db2.gz NYWVECIISOYLCG-NSHDSACASA-N 1 2 229.320 0.949 20 0 BCADLO C[C@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933322101 640704404 /nfs/dbraw/zinc/70/44/04/640704404.db2.gz FVWGCPSDNQJOEG-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933322101 640704408 /nfs/dbraw/zinc/70/44/08/640704408.db2.gz FVWGCPSDNQJOEG-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO CCn1nccc1C(=O)NC1C[NH+](CC)C1 ZINC001030247538 640706007 /nfs/dbraw/zinc/70/60/07/640706007.db2.gz KTNQGDVLUWKDOM-UHFFFAOYSA-N 1 2 222.292 0.337 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001030253806 640709928 /nfs/dbraw/zinc/70/99/28/640709928.db2.gz VPGKHMJVXRWUKC-MWLCHTKSSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001030253804 640710200 /nfs/dbraw/zinc/71/02/00/640710200.db2.gz VPGKHMJVXRWUKC-GXSJLCMTSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCOCC2)C1 ZINC001030262201 640712250 /nfs/dbraw/zinc/71/22/50/640712250.db2.gz JPDXFMIZKQIIJG-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001030270703 640720177 /nfs/dbraw/zinc/72/01/77/640720177.db2.gz HOQYWZYTQVXYQW-IUCAKERBSA-N 1 2 248.273 0.334 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000157813272 640739179 /nfs/dbraw/zinc/73/91/79/640739179.db2.gz GTZSDAOWQAFLEU-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CCOCCO[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000157813272 640739183 /nfs/dbraw/zinc/73/91/83/640739183.db2.gz GTZSDAOWQAFLEU-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001030327193 640764117 /nfs/dbraw/zinc/76/41/17/640764117.db2.gz YNXBNSXOJNBATC-RYUDHWBXSA-N 1 2 240.347 0.868 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933966615 640798011 /nfs/dbraw/zinc/79/80/11/640798011.db2.gz PUIBFVBFKCEMPY-WDEREUQCSA-N 1 2 223.276 0.399 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933966615 640798014 /nfs/dbraw/zinc/79/80/14/640798014.db2.gz PUIBFVBFKCEMPY-WDEREUQCSA-N 1 2 223.276 0.399 20 0 BCADLO CNc1cc(NC[C@@]2(O)CCOC2)[nH+]cn1 ZINC000227198517 640820559 /nfs/dbraw/zinc/82/05/59/640820559.db2.gz JEGUOVAGESDULX-JTQLQIEISA-N 1 2 224.264 0.082 20 0 BCADLO CNc1cc(N[C@@H](CCO)COC)nc[nH+]1 ZINC000228456209 640875650 /nfs/dbraw/zinc/87/56/50/640875650.db2.gz AMQRRAWBFLLBBX-QMMMGPOBSA-N 1 2 226.280 0.328 20 0 BCADLO CNc1cc(N[C@@H](CCO)COC)[nH+]cn1 ZINC000228456209 640875653 /nfs/dbraw/zinc/87/56/53/640875653.db2.gz AMQRRAWBFLLBBX-QMMMGPOBSA-N 1 2 226.280 0.328 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(C3CC3)CC2)C1 ZINC001030489324 640877985 /nfs/dbraw/zinc/87/79/85/640877985.db2.gz HVZNVRMLSGTELX-SECBINFHSA-N 1 2 238.331 0.358 20 0 BCADLO O=C(Cc1ccccc1)NC1C[NH+](CCO)C1 ZINC001030537878 640903211 /nfs/dbraw/zinc/90/32/11/640903211.db2.gz OXAXDPDFZRCFRP-UHFFFAOYSA-N 1 2 234.299 0.022 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NC2C[NH+](CCCF)C2)CO1 ZINC001030557048 640910396 /nfs/dbraw/zinc/91/03/96/640910396.db2.gz JFJZHTJWWMWULP-NXEZZACHSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@H]1C[C@H](C(=O)NC2C[NH+](CCCF)C2)CO1 ZINC001030557049 640910898 /nfs/dbraw/zinc/91/08/98/640910898.db2.gz JFJZHTJWWMWULP-UWVGGRQHSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001030560778 640912019 /nfs/dbraw/zinc/91/20/19/640912019.db2.gz OBEAIXGQLMPLTO-IUCAKERBSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001030576249 640924361 /nfs/dbraw/zinc/92/43/61/640924361.db2.gz JTPVKRMMSZYCFT-VIFPVBQESA-N 1 2 244.310 0.450 20 0 BCADLO O=C(NC1C[NH+](CC2CCCC2)C1)c1cn[nH]n1 ZINC001030599312 640947119 /nfs/dbraw/zinc/94/71/19/640947119.db2.gz BKCBSWKHOWNBEJ-UHFFFAOYSA-N 1 2 249.318 0.409 20 0 BCADLO O=C(NC1C[NH+](CC2CCCC2)C1)c1cnn[nH]1 ZINC001030599312 640947126 /nfs/dbraw/zinc/94/71/26/640947126.db2.gz BKCBSWKHOWNBEJ-UHFFFAOYSA-N 1 2 249.318 0.409 20 0 BCADLO CCOC(=O)/C=C/C[N@H+](CC)CC(=O)NC ZINC000087638742 640951178 /nfs/dbraw/zinc/95/11/78/640951178.db2.gz FIAPJIOTWLFFSG-VOTSOKGWSA-N 1 2 228.292 0.174 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+](CC)CC(=O)NC ZINC000087638742 640951183 /nfs/dbraw/zinc/95/11/83/640951183.db2.gz FIAPJIOTWLFFSG-VOTSOKGWSA-N 1 2 228.292 0.174 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H](C)CO ZINC000230075067 641012309 /nfs/dbraw/zinc/01/23/09/641012309.db2.gz ALMNZXLKKHBMAP-SECBINFHSA-N 1 2 223.338 0.122 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H](C)CO ZINC000230075067 641012316 /nfs/dbraw/zinc/01/23/16/641012316.db2.gz ALMNZXLKKHBMAP-SECBINFHSA-N 1 2 223.338 0.122 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(COC)o2)C1 ZINC001030644923 641047794 /nfs/dbraw/zinc/04/77/94/641047794.db2.gz LZNLDCIZWFCFSG-UHFFFAOYSA-N 1 2 238.287 0.860 20 0 BCADLO COCC[NH2+]Cc1nc([C@@H]2CCCOC2)no1 ZINC000087815899 641053312 /nfs/dbraw/zinc/05/33/12/641053312.db2.gz YAIWHGLBHDVHKH-SECBINFHSA-N 1 2 241.291 0.700 20 0 BCADLO CNc1cc(NCc2ccnn2C)nc[nH+]1 ZINC000087829916 641062921 /nfs/dbraw/zinc/06/29/21/641062921.db2.gz PUDBKRYOACWELE-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO CNc1cc(NCc2ccnn2C)[nH+]cn1 ZINC000087829916 641062924 /nfs/dbraw/zinc/06/29/24/641062924.db2.gz PUDBKRYOACWELE-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO CNc1cc(N[C@H](CO)C(C)C)nc[nH+]1 ZINC000087838434 641065171 /nfs/dbraw/zinc/06/51/71/641065171.db2.gz UWNGOBUTBJYKCO-MRVPVSSYSA-N 1 2 210.281 0.947 20 0 BCADLO CNc1cc(N[C@H](CO)C(C)C)[nH+]cn1 ZINC000087838434 641065175 /nfs/dbraw/zinc/06/51/75/641065175.db2.gz UWNGOBUTBJYKCO-MRVPVSSYSA-N 1 2 210.281 0.947 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cn(C)nn1 ZINC000934114044 641077208 /nfs/dbraw/zinc/07/72/08/641077208.db2.gz FENFKFFHWRMXMQ-VHSXEESVSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cn(C)nn1 ZINC000934114044 641077214 /nfs/dbraw/zinc/07/72/14/641077214.db2.gz FENFKFFHWRMXMQ-VHSXEESVSA-N 1 2 210.281 0.424 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000172594832 641080881 /nfs/dbraw/zinc/08/08/81/641080881.db2.gz WJKWYKXCIIWGBR-VIFPVBQESA-N 1 2 237.390 0.858 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCSC[C@@H]1C ZINC000172594832 641080884 /nfs/dbraw/zinc/08/08/84/641080884.db2.gz WJKWYKXCIIWGBR-VIFPVBQESA-N 1 2 237.390 0.858 20 0 BCADLO CCN1OC[C@H]([N@H+](C)[C@@H]2CC[C@H]2OC)C1=O ZINC000934114360 641081305 /nfs/dbraw/zinc/08/13/05/641081305.db2.gz SYUIYEBDSTVBKI-KXUCPTDWSA-N 1 2 228.292 0.258 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)[C@@H]2CC[C@H]2OC)C1=O ZINC000934114360 641081308 /nfs/dbraw/zinc/08/13/08/641081308.db2.gz SYUIYEBDSTVBKI-KXUCPTDWSA-N 1 2 228.292 0.258 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)CCS(=O)(=O)C(C)C ZINC000934117126 641081398 /nfs/dbraw/zinc/08/13/98/641081398.db2.gz ZHDYAFXUHMHQAD-GHMZBOCLSA-N 1 2 249.376 0.919 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000934117126 641081402 /nfs/dbraw/zinc/08/14/02/641081402.db2.gz ZHDYAFXUHMHQAD-GHMZBOCLSA-N 1 2 249.376 0.919 20 0 BCADLO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1nncn1C ZINC000230936784 641117381 /nfs/dbraw/zinc/11/73/81/641117381.db2.gz FMLFKTIIMRQNMG-WHXYTISESA-N 1 2 238.291 0.585 20 0 BCADLO O=C1C[C@@H]([NH+]2CCC(F)(F)CC2)C(=O)N1 ZINC000846703138 641163582 /nfs/dbraw/zinc/16/35/82/641163582.db2.gz LNAOFSKVMGMCNI-ZCFIWIBFSA-N 1 2 218.203 0.133 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934485112 641170723 /nfs/dbraw/zinc/17/07/23/641170723.db2.gz YTSPQDVJXLVIRC-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934485112 641170725 /nfs/dbraw/zinc/17/07/25/641170725.db2.gz YTSPQDVJXLVIRC-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@]1(C2CC2)COCC[N@@H+]1CC(=O)NC1CC1 ZINC000934485097 641171038 /nfs/dbraw/zinc/17/10/38/641171038.db2.gz YLZUDAMAJPVQSJ-CYBMUJFWSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@]1(C2CC2)COCC[N@H+]1CC(=O)NC1CC1 ZINC000934485097 641171043 /nfs/dbraw/zinc/17/10/43/641171043.db2.gz YLZUDAMAJPVQSJ-CYBMUJFWSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000090624477 641172452 /nfs/dbraw/zinc/17/24/52/641172452.db2.gz JACYKSKHCJKNSS-SECBINFHSA-N 1 2 210.233 0.605 20 0 BCADLO O=S1CC[NH+](CCCCCCCO)CC1 ZINC000173723066 641194592 /nfs/dbraw/zinc/19/45/92/641194592.db2.gz NTJOVCKYLZJNBO-UHFFFAOYSA-N 1 2 233.377 0.994 20 0 BCADLO Cc1nccn1CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934564145 641196521 /nfs/dbraw/zinc/19/65/21/641196521.db2.gz HCGMVQBEZIXBOP-QWRGUYRKSA-N 1 2 227.283 0.596 20 0 BCADLO Cc1nccn1CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934564145 641196524 /nfs/dbraw/zinc/19/65/24/641196524.db2.gz HCGMVQBEZIXBOP-QWRGUYRKSA-N 1 2 227.283 0.596 20 0 BCADLO Cc1nccn1CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934564144 641198148 /nfs/dbraw/zinc/19/81/48/641198148.db2.gz HCGMVQBEZIXBOP-MNOVXSKESA-N 1 2 227.283 0.596 20 0 BCADLO Cc1nccn1CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934564144 641198156 /nfs/dbraw/zinc/19/81/56/641198156.db2.gz HCGMVQBEZIXBOP-MNOVXSKESA-N 1 2 227.283 0.596 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1F ZINC000934576609 641208668 /nfs/dbraw/zinc/20/86/68/641208668.db2.gz RMEIWBXMRSWCSP-WDEREUQCSA-N 1 2 210.252 0.986 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1F ZINC000934576609 641208673 /nfs/dbraw/zinc/20/86/73/641208673.db2.gz RMEIWBXMRSWCSP-WDEREUQCSA-N 1 2 210.252 0.986 20 0 BCADLO CCC[C@@H](CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913558010 641223270 /nfs/dbraw/zinc/22/32/70/641223270.db2.gz HSNSJUIGQOCDFY-NEPJUHHUSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@@H](CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913558010 641223276 /nfs/dbraw/zinc/22/32/76/641223276.db2.gz HSNSJUIGQOCDFY-NEPJUHHUSA-N 1 2 242.363 0.948 20 0 BCADLO CNC(=O)[C@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000232301748 641263781 /nfs/dbraw/zinc/26/37/81/641263781.db2.gz WNKYKBVJXDZNJQ-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)[C@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000232301748 641263788 /nfs/dbraw/zinc/26/37/88/641263788.db2.gz WNKYKBVJXDZNJQ-VIFPVBQESA-N 1 2 249.318 0.481 20 0 BCADLO COC(OC)[C@H](C)[NH2+]Cc1ccon1 ZINC000088052657 641281851 /nfs/dbraw/zinc/28/18/51/641281851.db2.gz FIWUUKHRFKPTFS-ZETCQYMHSA-N 1 2 200.238 0.772 20 0 BCADLO CC[C@@](C)(O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000934911949 641298991 /nfs/dbraw/zinc/29/89/91/641298991.db2.gz FIJCUQAQFILUAA-GFCCVEGCSA-N 1 2 239.319 0.893 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000929486351 641332022 /nfs/dbraw/zinc/33/20/22/641332022.db2.gz DEQIIGVVBJUASX-LPEHRKFASA-N 1 2 240.303 0.006 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000929486351 641332027 /nfs/dbraw/zinc/33/20/27/641332027.db2.gz DEQIIGVVBJUASX-LPEHRKFASA-N 1 2 240.303 0.006 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)cnn2C)C1 ZINC001030808246 641363220 /nfs/dbraw/zinc/36/32/20/641363220.db2.gz LQIQPOOHZASDOR-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO CN1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1=O ZINC000935242097 641373966 /nfs/dbraw/zinc/37/39/66/641373966.db2.gz HIZJTBVATQHQHR-UHFFFAOYSA-N 1 2 244.254 0.435 20 0 BCADLO O=C(N[C@H]1CNC(=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000935267882 641376885 /nfs/dbraw/zinc/37/68/85/641376885.db2.gz CRJFRTLBMBJBNL-MRVPVSSYSA-N 1 2 244.254 0.181 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001030851936 641383038 /nfs/dbraw/zinc/38/30/38/641383038.db2.gz ADASGOQUEZFGKF-DTWKUNHWSA-N 1 2 214.284 0.945 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000929700698 641407056 /nfs/dbraw/zinc/40/70/56/641407056.db2.gz GPHKZJQVCBQHAY-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000929700698 641407061 /nfs/dbraw/zinc/40/70/61/641407061.db2.gz GPHKZJQVCBQHAY-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO CC1(C)CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030922595 641424175 /nfs/dbraw/zinc/42/41/75/641424175.db2.gz LUGHWCCRUYZVDS-SNVBAGLBSA-N 1 2 240.347 0.605 20 0 BCADLO CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925395925 641425849 /nfs/dbraw/zinc/42/58/49/641425849.db2.gz JEJNJLMBWBWCOI-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO CCN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925395925 641425850 /nfs/dbraw/zinc/42/58/50/641425850.db2.gz JEJNJLMBWBWCOI-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO CCc1ncoc1C(=O)NC1C[NH+](CC)C1 ZINC001030928958 641427773 /nfs/dbraw/zinc/42/77/73/641427773.db2.gz IZJDHBNFBDRYTL-UHFFFAOYSA-N 1 2 223.276 0.671 20 0 BCADLO O=C(NC12CC[NH+](CC1)C2)c1[nH]nc2c1CCC2 ZINC000913627567 641432536 /nfs/dbraw/zinc/43/25/36/641432536.db2.gz POLYPLBQYUVMMY-UHFFFAOYSA-N 1 2 246.314 0.476 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC3(CC3)C2)C1 ZINC001030930504 641444564 /nfs/dbraw/zinc/44/45/64/641444564.db2.gz BWWFZQLEXBIJQW-SECBINFHSA-N 1 2 238.331 0.358 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N=S(C)(C)=O ZINC000913641827 641446464 /nfs/dbraw/zinc/44/64/64/641446464.db2.gz JVOHTEHLGIGRBP-UHFFFAOYSA-N 1 2 215.278 0.515 20 0 BCADLO CC(=O)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913793493 641478087 /nfs/dbraw/zinc/47/80/87/641478087.db2.gz CFXFYRWBXSTGFR-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO COCC1(N(C)C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000913819097 641485647 /nfs/dbraw/zinc/48/56/47/641485647.db2.gz YWNKOBODLUVZJC-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nccc3[nH]ccc32)C1 ZINC001030974561 641544567 /nfs/dbraw/zinc/54/45/67/641544567.db2.gz GHKQEJMPGRJPJA-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030979254 641557220 /nfs/dbraw/zinc/55/72/20/641557220.db2.gz GVOGGIMTJZTETR-HOSYDEDBSA-N 1 2 240.347 0.868 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001030978978 641557328 /nfs/dbraw/zinc/55/73/28/641557328.db2.gz DDULSUVTBWUHHS-GHMZBOCLSA-N 1 2 248.330 0.344 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031022687 641599444 /nfs/dbraw/zinc/59/94/44/641599444.db2.gz KLKQUDOTQYXEHQ-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031023082 641600073 /nfs/dbraw/zinc/60/00/73/641600073.db2.gz QZCWZMKMOZBYKK-SNVBAGLBSA-N 1 2 208.305 0.997 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC[C@@H](O)CC1 ZINC000914192248 641611257 /nfs/dbraw/zinc/61/12/57/641611257.db2.gz QNXQPCPPKZPYNL-PHIMTYICSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccns1 ZINC000914288365 641632809 /nfs/dbraw/zinc/63/28/09/641632809.db2.gz HBORLMPECGZZNR-UHFFFAOYSA-N 1 2 236.300 0.699 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031043856 641640546 /nfs/dbraw/zinc/64/05/46/641640546.db2.gz KHNWPJPLBFOLBD-UWVGGRQHSA-N 1 2 226.320 0.215 20 0 BCADLO CC[NH+]1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC001031061818 641676970 /nfs/dbraw/zinc/67/69/70/641676970.db2.gz QRTZVUUZMVCDRM-UHFFFAOYSA-N 1 2 235.287 0.986 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(C)nc2OC)C1 ZINC001031061358 641677271 /nfs/dbraw/zinc/67/72/71/641677271.db2.gz FRQCQLCKQBQHBO-UHFFFAOYSA-N 1 2 249.314 0.833 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccc(F)cn2)no1 ZINC000159356846 641679243 /nfs/dbraw/zinc/67/92/43/641679243.db2.gz UXVCARRLUHEUJL-ZETCQYMHSA-N 1 2 238.222 0.917 20 0 BCADLO CCOC(=O)C[N@H+](C)CCCNC(C)=O ZINC000159516165 641685371 /nfs/dbraw/zinc/68/53/71/641685371.db2.gz GZOKUFDAJCVVDH-UHFFFAOYSA-N 1 2 216.281 0.008 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCCNC(C)=O ZINC000159516165 641685378 /nfs/dbraw/zinc/68/53/78/641685378.db2.gz GZOKUFDAJCVVDH-UHFFFAOYSA-N 1 2 216.281 0.008 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC001031081460 641685820 /nfs/dbraw/zinc/68/58/20/641685820.db2.gz UWNJMVJYUUSNLG-NWDGAFQWSA-N 1 2 238.331 0.215 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cnco1 ZINC001015444678 641690375 /nfs/dbraw/zinc/69/03/75/641690375.db2.gz ULNWELLVGGZBGU-QMMMGPOBSA-N 1 2 227.239 0.448 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cnco1 ZINC001015444678 641690376 /nfs/dbraw/zinc/69/03/76/641690376.db2.gz ULNWELLVGGZBGU-QMMMGPOBSA-N 1 2 227.239 0.448 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn3ccccc23)C1 ZINC001031116185 641713944 /nfs/dbraw/zinc/71/39/44/641713944.db2.gz FNBRTVYOZATCPI-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO O=C(NC1C[NH+](CC2CCCC2)C1)c1ncn[nH]1 ZINC001031121290 641718480 /nfs/dbraw/zinc/71/84/80/641718480.db2.gz GALYNJMJYRWBCI-UHFFFAOYSA-N 1 2 249.318 0.409 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000993071199 641725892 /nfs/dbraw/zinc/72/58/92/641725892.db2.gz LVNAMRVDRAQVNZ-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000993071199 641725899 /nfs/dbraw/zinc/72/58/99/641725899.db2.gz LVNAMRVDRAQVNZ-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000993071185 641728924 /nfs/dbraw/zinc/72/89/24/641728924.db2.gz LVNAMRVDRAQVNZ-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000993071185 641728928 /nfs/dbraw/zinc/72/89/28/641728928.db2.gz LVNAMRVDRAQVNZ-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@]1(C(=O)NC2C[NH+](CCCF)C2)CCOC1 ZINC001031147904 641736747 /nfs/dbraw/zinc/73/67/47/641736747.db2.gz DGGCWYVBHLKWJN-LBPRGKRZSA-N 1 2 244.310 0.573 20 0 BCADLO CC(=O)OC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000153242008 641739901 /nfs/dbraw/zinc/73/99/01/641739901.db2.gz DYTUHKDHQBJQKD-JTQLQIEISA-N 1 2 227.260 0.329 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001031168267 641762193 /nfs/dbraw/zinc/76/21/93/641762193.db2.gz MQWSWXYRSGDUEF-VXGBXAGGSA-N 1 2 240.347 0.725 20 0 BCADLO CC(C)[C@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031169215 641765484 /nfs/dbraw/zinc/76/54/84/641765484.db2.gz ADXPAYKWEZZECQ-GHMZBOCLSA-N 1 2 226.320 0.071 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031174961 641772790 /nfs/dbraw/zinc/77/27/90/641772790.db2.gz JNDVIRPXYRBRAD-PWSUYJOCSA-N 1 2 226.320 0.215 20 0 BCADLO Cn1ccnc1C[N@H+](C)CC[C@@H]1CCOC1=O ZINC000153418126 641783161 /nfs/dbraw/zinc/78/31/61/641783161.db2.gz GJLOWMWGCHCKNE-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000153418126 641783173 /nfs/dbraw/zinc/78/31/73/641783173.db2.gz GJLOWMWGCHCKNE-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(OC(C)=O)CC1 ZINC000153471031 641801708 /nfs/dbraw/zinc/80/17/08/641801708.db2.gz JZFZIYKDLMLVQY-MRVPVSSYSA-N 1 2 229.276 0.575 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C(C1CC1)C1CC1 ZINC001031228739 641831128 /nfs/dbraw/zinc/83/11/28/641831128.db2.gz WJKKDZXQYHBXRC-UHFFFAOYSA-N 1 2 238.331 0.215 20 0 BCADLO CCC(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000190177064 641847451 /nfs/dbraw/zinc/84/74/51/641847451.db2.gz SWYLPQZZPCHLSM-VIFPVBQESA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000190177064 641847453 /nfs/dbraw/zinc/84/74/53/641847453.db2.gz SWYLPQZZPCHLSM-VIFPVBQESA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000190177040 641848041 /nfs/dbraw/zinc/84/80/41/641848041.db2.gz SWYLPQZZPCHLSM-SECBINFHSA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000190177040 641848046 /nfs/dbraw/zinc/84/80/46/641848046.db2.gz SWYLPQZZPCHLSM-SECBINFHSA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000190235130 641852408 /nfs/dbraw/zinc/85/24/08/641852408.db2.gz IYXHNQBBCUWORH-UHFFFAOYSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000190235130 641852413 /nfs/dbraw/zinc/85/24/13/641852413.db2.gz IYXHNQBBCUWORH-UHFFFAOYSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CC[NH+]1CCN([C@@H](CC)CO)CC1 ZINC000190254740 641855425 /nfs/dbraw/zinc/85/54/25/641855425.db2.gz RVDOMLQOLZVIPQ-LBPRGKRZSA-N 1 2 242.363 0.744 20 0 BCADLO CCN(C(=O)c1ccon1)C1C[NH+](CC)C1 ZINC000949737786 641858372 /nfs/dbraw/zinc/85/83/72/641858372.db2.gz UTCZYSQSOVSAOY-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO O=C([C@@H]1CC[C@H](F)C1)N1CC[NH+](CCO)CC1 ZINC000949887920 641871540 /nfs/dbraw/zinc/87/15/40/641871540.db2.gz CBDOMLRNBUHJHX-MNOVXSKESA-N 1 2 244.310 0.261 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1cc(C)on1)C(N)=O ZINC000153776077 641885084 /nfs/dbraw/zinc/88/50/84/641885084.db2.gz JVAPERVTOFUGJU-XVKPBYJWSA-N 1 2 225.292 0.973 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cscn1)[C@@H](C)CO ZINC000190853937 641892085 /nfs/dbraw/zinc/89/20/85/641892085.db2.gz UOHHSIIWLZNRSF-DTWKUNHWSA-N 1 2 230.333 0.707 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cscn1)[C@@H](C)CO ZINC000190853937 641892089 /nfs/dbraw/zinc/89/20/89/641892089.db2.gz UOHHSIIWLZNRSF-DTWKUNHWSA-N 1 2 230.333 0.707 20 0 BCADLO COCCNC(=S)NCCCn1cc[nH+]c1 ZINC000916116005 641906111 /nfs/dbraw/zinc/90/61/11/641906111.db2.gz QBUKTIOYLQUZPL-UHFFFAOYSA-N 1 2 242.348 0.384 20 0 BCADLO Cc1nc(NCc2ncnn2C)cc[nH+]1 ZINC000078677357 641943544 /nfs/dbraw/zinc/94/35/44/641943544.db2.gz MNEPPIBIGROIOM-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001031376064 642034230 /nfs/dbraw/zinc/03/42/30/642034230.db2.gz ATXLRRZGIKESEW-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO Cc1c[nH]cc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031382890 642043469 /nfs/dbraw/zinc/04/34/69/642043469.db2.gz JJPFZVWJMPYOCS-VIFPVBQESA-N 1 2 237.303 0.118 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1CCC1 ZINC001031510846 642245379 /nfs/dbraw/zinc/24/53/79/642245379.db2.gz LOFAQRNKKQBUSB-UHFFFAOYSA-N 1 2 214.284 0.804 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCCOC1 ZINC001031578116 642331043 /nfs/dbraw/zinc/33/10/43/642331043.db2.gz UFIBMPXOOZHQTN-NSHDSACASA-N 1 2 244.310 0.431 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1nccnc1C ZINC000933232587 642404835 /nfs/dbraw/zinc/40/48/35/642404835.db2.gz FDGIDJRFVGQADU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1nccnc1C ZINC000933232587 642404844 /nfs/dbraw/zinc/40/48/44/642404844.db2.gz FDGIDJRFVGQADU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919982272 642416817 /nfs/dbraw/zinc/41/68/17/642416817.db2.gz SBDHJACZNANCRK-MNOVXSKESA-N 1 2 242.367 0.282 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919982272 642416825 /nfs/dbraw/zinc/41/68/25/642416825.db2.gz SBDHJACZNANCRK-MNOVXSKESA-N 1 2 242.367 0.282 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919981528 642416923 /nfs/dbraw/zinc/41/69/23/642416923.db2.gz NEMVGNRXXGMORP-ZJUUUORDSA-N 1 2 247.314 0.316 20 0 BCADLO C[C@@H](NC(=O)OCCF)[C@@H]1CN(C)CC[N@H+]1C ZINC000919981528 642416926 /nfs/dbraw/zinc/41/69/26/642416926.db2.gz NEMVGNRXXGMORP-ZJUUUORDSA-N 1 2 247.314 0.316 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H]1CCN(C)C1=O)C2 ZINC000933260098 642429737 /nfs/dbraw/zinc/42/97/37/642429737.db2.gz XSPAGCCBASLFAT-LBPRGKRZSA-N 1 2 248.330 0.492 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCOC)nc[nH+]1 ZINC000891391217 642457920 /nfs/dbraw/zinc/45/79/20/642457920.db2.gz UBKKEOZOIFWQSB-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCOC)[nH+]cn1 ZINC000891391217 642457911 /nfs/dbraw/zinc/45/79/11/642457911.db2.gz UBKKEOZOIFWQSB-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCO)[nH+]cn1 ZINC000891402017 642474174 /nfs/dbraw/zinc/47/41/74/642474174.db2.gz MWHCRMRVYLAUBE-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCO)nc[nH+]1 ZINC000891402017 642474179 /nfs/dbraw/zinc/47/41/79/642474179.db2.gz MWHCRMRVYLAUBE-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnsn1 ZINC000920438809 642509787 /nfs/dbraw/zinc/50/97/87/642509787.db2.gz OCIQBZXFJCJIHF-UHFFFAOYSA-N 1 2 249.299 0.775 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cscn1 ZINC000921411895 642613152 /nfs/dbraw/zinc/61/31/52/642613152.db2.gz BAYLXCFECSHBEB-SSDOTTSWSA-N 1 2 247.345 0.126 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cscn1 ZINC000921411895 642613155 /nfs/dbraw/zinc/61/31/55/642613155.db2.gz BAYLXCFECSHBEB-SSDOTTSWSA-N 1 2 247.345 0.126 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)OC ZINC000921436556 642623937 /nfs/dbraw/zinc/62/39/37/642623937.db2.gz XADHQBOYJRUWNT-SECBINFHSA-N 1 2 216.281 0.453 20 0 BCADLO CC(C)COC(=O)C[N@H+](CCO)C1CC1 ZINC000305782976 642694710 /nfs/dbraw/zinc/69/47/10/642694710.db2.gz QBQUVLHXCYPFIE-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@@H+](CCO)C1CC1 ZINC000305782976 642694714 /nfs/dbraw/zinc/69/47/14/642694714.db2.gz QBQUVLHXCYPFIE-UHFFFAOYSA-N 1 2 215.293 0.642 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC000965981835 642778029 /nfs/dbraw/zinc/77/80/29/642778029.db2.gz IXRGALFIAWLJGC-IONNQARKSA-N 1 2 240.332 0.810 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC000965985251 642778954 /nfs/dbraw/zinc/77/89/54/642778954.db2.gz FRDPWZRHPRDTGB-GMSGAONNSA-N 1 2 238.291 0.649 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001009788383 642838000 /nfs/dbraw/zinc/83/80/00/642838000.db2.gz UCKGFQVQSYKMTN-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001009788383 642838004 /nfs/dbraw/zinc/83/80/04/642838004.db2.gz UCKGFQVQSYKMTN-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001009820915 642841993 /nfs/dbraw/zinc/84/19/93/642841993.db2.gz DBHOHFSBNZRYRX-LLVKDONJSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001009820915 642841995 /nfs/dbraw/zinc/84/19/95/642841995.db2.gz DBHOHFSBNZRYRX-LLVKDONJSA-N 1 2 248.330 0.521 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCCO1 ZINC001010036077 642849736 /nfs/dbraw/zinc/84/97/36/642849736.db2.gz CZZNHZWNGPAOSC-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCCO1 ZINC001010036077 642849741 /nfs/dbraw/zinc/84/97/41/642849741.db2.gz CZZNHZWNGPAOSC-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1CC1 ZINC000181634226 642888946 /nfs/dbraw/zinc/88/89/46/642888946.db2.gz DNNNVPFSORRQOR-SECBINFHSA-N 1 2 213.277 0.660 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001010569041 642870175 /nfs/dbraw/zinc/87/01/75/642870175.db2.gz VJCFQYDXGFDFPO-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001010569041 642870180 /nfs/dbraw/zinc/87/01/80/642870180.db2.gz VJCFQYDXGFDFPO-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CCF)C2)co1 ZINC001010737601 642871615 /nfs/dbraw/zinc/87/16/15/642871615.db2.gz DKINNAYEKNNJAR-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)co1 ZINC001010737601 642871620 /nfs/dbraw/zinc/87/16/20/642871620.db2.gz DKINNAYEKNNJAR-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)OCC(C)C ZINC000181434682 642872089 /nfs/dbraw/zinc/87/20/89/642872089.db2.gz BWLISRBOFGPDMY-JTQLQIEISA-N 1 2 245.319 0.927 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)OCC(C)C ZINC000181434682 642872092 /nfs/dbraw/zinc/87/20/92/642872092.db2.gz BWLISRBOFGPDMY-JTQLQIEISA-N 1 2 245.319 0.927 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cccnn1 ZINC001015888562 642944941 /nfs/dbraw/zinc/94/49/41/642944941.db2.gz DGUKQLFZWRTRAO-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cccnn1 ZINC001015888562 642944951 /nfs/dbraw/zinc/94/49/51/642944951.db2.gz DGUKQLFZWRTRAO-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016413794 642958677 /nfs/dbraw/zinc/95/86/77/642958677.db2.gz FWFHBOYJAXSFIA-MRVPVSSYSA-N 1 2 242.254 0.152 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016413794 642958687 /nfs/dbraw/zinc/95/86/87/642958687.db2.gz FWFHBOYJAXSFIA-MRVPVSSYSA-N 1 2 242.254 0.152 20 0 BCADLO C[C@@H]1OCC[N@H+](CC2OCCO2)[C@H]1C ZINC000182471937 643024044 /nfs/dbraw/zinc/02/40/44/643024044.db2.gz JANBVYRZGYTDDW-IUCAKERBSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC2OCCO2)[C@H]1C ZINC000182471937 643024049 /nfs/dbraw/zinc/02/40/49/643024049.db2.gz JANBVYRZGYTDDW-IUCAKERBSA-N 1 2 201.266 0.469 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000252665147 643085375 /nfs/dbraw/zinc/08/53/75/643085375.db2.gz IHSXNQXNXQWCMQ-MBACFSSFSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCCC[C@H]1C(N)=O ZINC000252665147 643085383 /nfs/dbraw/zinc/08/53/83/643085383.db2.gz IHSXNQXNXQWCMQ-MBACFSSFSA-N 1 2 240.303 0.446 20 0 BCADLO CNc1cc(N2CC[C@](C)(O)C2)nc[nH+]1 ZINC000234587221 643090704 /nfs/dbraw/zinc/09/07/04/643090704.db2.gz FRKXSMOIQXSBQG-JTQLQIEISA-N 1 2 208.265 0.479 20 0 BCADLO CNc1cc(N2CC[C@](C)(O)C2)[nH+]cn1 ZINC000234587221 643090711 /nfs/dbraw/zinc/09/07/11/643090711.db2.gz FRKXSMOIQXSBQG-JTQLQIEISA-N 1 2 208.265 0.479 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932349301 643165147 /nfs/dbraw/zinc/16/51/47/643165147.db2.gz WMGSNARDHHNJIW-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCO[C@@H](C)CC1 ZINC000932349301 643165157 /nfs/dbraw/zinc/16/51/57/643165157.db2.gz WMGSNARDHHNJIW-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1CC[N@H+](CCS(C)(=O)=O)CCO1 ZINC000932349596 643165326 /nfs/dbraw/zinc/16/53/26/643165326.db2.gz GZLVTNNOXONUBJ-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000932349596 643165329 /nfs/dbraw/zinc/16/53/29/643165329.db2.gz GZLVTNNOXONUBJ-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO COC(=O)C[N@H+](C)CC[C@@H]1CCOC1=O ZINC000175759132 643170398 /nfs/dbraw/zinc/17/03/98/643170398.db2.gz IAFXQHNVWVBANA-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO COC(=O)C[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000175759132 643170403 /nfs/dbraw/zinc/17/04/03/643170403.db2.gz IAFXQHNVWVBANA-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032073315 643231425 /nfs/dbraw/zinc/23/14/25/643231425.db2.gz AUPDSYYFYGWHQT-ONGXEEELSA-N 1 2 244.310 0.429 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000234030035 643297715 /nfs/dbraw/zinc/29/77/15/643297715.db2.gz UZNMFLBBWCYIKG-IUCAKERBSA-N 1 2 201.266 0.299 20 0 BCADLO CCOC(=O)C[N@H+](CCC1OCCO1)C1CC1 ZINC000185334982 643290729 /nfs/dbraw/zinc/29/07/29/643290729.db2.gz BWLBAFGSADXZGW-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO CCOC(=O)C[N@@H+](CCC1OCCO1)C1CC1 ZINC000185334982 643290735 /nfs/dbraw/zinc/29/07/35/643290735.db2.gz BWLBAFGSADXZGW-UHFFFAOYSA-N 1 2 243.303 0.777 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000082277885 643291051 /nfs/dbraw/zinc/29/10/51/643291051.db2.gz BQTVFVXQAHJKMJ-ZCFIWIBFSA-N 1 2 222.210 0.902 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)F ZINC000082277885 643291058 /nfs/dbraw/zinc/29/10/58/643291058.db2.gz BQTVFVXQAHJKMJ-ZCFIWIBFSA-N 1 2 222.210 0.902 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000234032566 643310858 /nfs/dbraw/zinc/31/08/58/643310858.db2.gz UZNMFLBBWCYIKG-DTWKUNHWSA-N 1 2 201.266 0.299 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(OCC)OCC ZINC000082486238 643321706 /nfs/dbraw/zinc/32/17/06/643321706.db2.gz PNEQDYGXRTYJRA-UHFFFAOYSA-N 1 2 232.324 0.453 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(OCC)OCC ZINC000082486238 643321717 /nfs/dbraw/zinc/32/17/17/643321717.db2.gz PNEQDYGXRTYJRA-UHFFFAOYSA-N 1 2 232.324 0.453 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000082647218 643363546 /nfs/dbraw/zinc/36/35/46/643363546.db2.gz CSURVVKBTMWHPV-QMMMGPOBSA-N 1 2 213.277 0.849 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236882 643383747 /nfs/dbraw/zinc/38/37/47/643383747.db2.gz LFHOEGOIYKFPED-DCAQKATOSA-N 1 2 244.310 0.666 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236882 643383753 /nfs/dbraw/zinc/38/37/53/643383753.db2.gz LFHOEGOIYKFPED-DCAQKATOSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)C1C[NH+](CCF)C1 ZINC000970231094 643404096 /nfs/dbraw/zinc/40/40/96/643404096.db2.gz IHTJZZVOKBRURH-MRVPVSSYSA-N 1 2 241.266 0.694 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2=COCC2)CCO1 ZINC000734124816 643489603 /nfs/dbraw/zinc/48/96/03/643489603.db2.gz CXBMRIALZOICRW-SNVBAGLBSA-N 1 2 240.303 0.128 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=COCC2)CCO1 ZINC000734124816 643489607 /nfs/dbraw/zinc/48/96/07/643489607.db2.gz CXBMRIALZOICRW-SNVBAGLBSA-N 1 2 240.303 0.128 20 0 BCADLO CC(C)C[NH+]1CCN(CCS(C)(=O)=O)CC1 ZINC000049970158 643573220 /nfs/dbraw/zinc/57/32/20/643573220.db2.gz FUFWZSHFHPVQDB-UHFFFAOYSA-N 1 2 248.392 0.305 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051827605 643640825 /nfs/dbraw/zinc/64/08/25/643640825.db2.gz XUIZJCDBIWWPAC-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051827605 643640832 /nfs/dbraw/zinc/64/08/32/643640832.db2.gz XUIZJCDBIWWPAC-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016061422 643665868 /nfs/dbraw/zinc/66/58/68/643665868.db2.gz VLQTVIMCRBKNRB-BDAKNGLRSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016061422 643665872 /nfs/dbraw/zinc/66/58/72/643665872.db2.gz VLQTVIMCRBKNRB-BDAKNGLRSA-N 1 2 241.335 0.097 20 0 BCADLO CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC000998312687 643693649 /nfs/dbraw/zinc/69/36/49/643693649.db2.gz LWAQSARFHDLYEK-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000998312478 643694394 /nfs/dbraw/zinc/69/43/94/643694394.db2.gz KJTNDRYSIHJVFW-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC(OC)OC ZINC000085351360 643747782 /nfs/dbraw/zinc/74/77/82/643747782.db2.gz FWONLZKACXBEEF-UHFFFAOYSA-N 1 2 232.324 0.406 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC(OC)OC ZINC000085351360 643747784 /nfs/dbraw/zinc/74/77/84/643747784.db2.gz FWONLZKACXBEEF-UHFFFAOYSA-N 1 2 232.324 0.406 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cnc1C ZINC000921877082 643814783 /nfs/dbraw/zinc/81/47/83/643814783.db2.gz UNIBDPAQPHBCKL-LBPRGKRZSA-N 1 2 249.314 0.968 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cnc1C ZINC000921877082 643814779 /nfs/dbraw/zinc/81/47/79/643814779.db2.gz UNIBDPAQPHBCKL-LBPRGKRZSA-N 1 2 249.314 0.968 20 0 BCADLO C[C@@H](O)[C@@H](CO)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000922181720 643895067 /nfs/dbraw/zinc/89/50/67/643895067.db2.gz YDGALTREKCOQRW-RKDXNWHRSA-N 1 2 242.319 0.803 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC=C[C@@H]1CO ZINC000922268109 643935830 /nfs/dbraw/zinc/93/58/30/643935830.db2.gz LJVSZKULYVLHCU-WDEREUQCSA-N 1 2 247.298 0.205 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC=C[C@H]1CO ZINC000922269463 643938143 /nfs/dbraw/zinc/93/81/43/643938143.db2.gz ZYHCFOYQIPEHKO-JTQLQIEISA-N 1 2 221.260 0.033 20 0 BCADLO COc1nccnc1C[NH2+][C@H](C)C(OC)OC ZINC000922313683 643967536 /nfs/dbraw/zinc/96/75/36/643967536.db2.gz ULKUMVKTFIQHTA-MRVPVSSYSA-N 1 2 241.291 0.582 20 0 BCADLO COc1nccnc1C[NH2+][C@@H](C)C(OC)OC ZINC000922313684 643967943 /nfs/dbraw/zinc/96/79/43/643967943.db2.gz ULKUMVKTFIQHTA-QMMMGPOBSA-N 1 2 241.291 0.582 20 0 BCADLO COCCOCC(=O)OCc1ccc[nH+]c1N ZINC000922353472 643979901 /nfs/dbraw/zinc/97/99/01/643979901.db2.gz YMXNZNSJXAOJBZ-UHFFFAOYSA-N 1 2 240.259 0.370 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000922418467 643991803 /nfs/dbraw/zinc/99/18/03/643991803.db2.gz VAUIKWZKTHTTBH-SCZZXKLOSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922489240 644002898 /nfs/dbraw/zinc/00/28/98/644002898.db2.gz DQRRIGIOFRPBKG-LLVKDONJSA-N 1 2 240.259 0.104 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C1CC(=O)C1 ZINC000922570495 644028540 /nfs/dbraw/zinc/02/85/40/644028540.db2.gz CTBCSBPKJXCLJA-UHFFFAOYSA-N 1 2 220.228 0.686 20 0 BCADLO CC1(C(=O)OCc2ccc(N)[nH+]c2)COC1 ZINC000922600931 644039026 /nfs/dbraw/zinc/03/90/26/644039026.db2.gz VJBKVVFONUQTHO-UHFFFAOYSA-N 1 2 222.244 0.744 20 0 BCADLO COC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922838758 644117957 /nfs/dbraw/zinc/11/79/57/644117957.db2.gz LNQUPOZBHZMPES-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000073957325 644150503 /nfs/dbraw/zinc/15/05/03/644150503.db2.gz AVAUWZQVVJCWNR-SECBINFHSA-N 1 2 214.265 0.159 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000073957325 644150508 /nfs/dbraw/zinc/15/05/08/644150508.db2.gz AVAUWZQVVJCWNR-SECBINFHSA-N 1 2 214.265 0.159 20 0 BCADLO CON(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000192544960 644163048 /nfs/dbraw/zinc/16/30/48/644163048.db2.gz KFTDEPYHXSALGA-UHFFFAOYSA-N 1 2 245.323 0.300 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765996 644177374 /nfs/dbraw/zinc/17/73/74/644177374.db2.gz USSLFNYRBZMIFJ-QMMMGPOBSA-N 1 2 240.332 0.565 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC000086765996 644177378 /nfs/dbraw/zinc/17/73/78/644177378.db2.gz USSLFNYRBZMIFJ-QMMMGPOBSA-N 1 2 240.332 0.565 20 0 BCADLO CCN(C(=O)c1n[nH]cc1F)C1C[NH+](CC)C1 ZINC000951697326 644277375 /nfs/dbraw/zinc/27/73/75/644277375.db2.gz NKIFFUCNBYUQTO-UHFFFAOYSA-N 1 2 240.282 0.715 20 0 BCADLO C[C@H](CNC(=O)C1=COCC1)Cn1cc[nH+]c1 ZINC000081797889 644345202 /nfs/dbraw/zinc/34/52/02/644345202.db2.gz IGZCQGFADAGWCQ-SNVBAGLBSA-N 1 2 235.287 0.940 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccncc1O ZINC000195557091 644395018 /nfs/dbraw/zinc/39/50/18/644395018.db2.gz NILMZYHWGGVPQD-SECBINFHSA-N 1 2 221.260 0.820 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)N(C)C)nc[nH+]1 ZINC000087822778 644502311 /nfs/dbraw/zinc/50/23/11/644502311.db2.gz MNOQBWSEJKXUGP-ZETCQYMHSA-N 1 2 223.280 0.407 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)N(C)C)[nH+]cn1 ZINC000087822778 644502321 /nfs/dbraw/zinc/50/23/21/644502321.db2.gz MNOQBWSEJKXUGP-ZETCQYMHSA-N 1 2 223.280 0.407 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001016425760 644531153 /nfs/dbraw/zinc/53/11/53/644531153.db2.gz ZXPHCDRVWQSIGE-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001016425760 644531158 /nfs/dbraw/zinc/53/11/58/644531158.db2.gz ZXPHCDRVWQSIGE-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO CC[C@@H](C)N(OC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000747619870 644585730 /nfs/dbraw/zinc/58/57/30/644585730.db2.gz OAQRTIFFQXJBGE-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H](C)N(OC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000747619870 644585735 /nfs/dbraw/zinc/58/57/35/644585735.db2.gz OAQRTIFFQXJBGE-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO COCc1n[nH]c(C[NH2+]C[C@H](OC)C2CC2)n1 ZINC000639312257 644595789 /nfs/dbraw/zinc/59/57/89/644595789.db2.gz URAZFILCNQUFTN-VIFPVBQESA-N 1 2 240.307 0.466 20 0 BCADLO OCC[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000092225327 644648283 /nfs/dbraw/zinc/64/82/83/644648283.db2.gz FNEFMYRHTRRQNP-LBPRGKRZSA-N 1 2 222.288 0.665 20 0 BCADLO OCC[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000092225327 644648286 /nfs/dbraw/zinc/64/82/86/644648286.db2.gz FNEFMYRHTRRQNP-LBPRGKRZSA-N 1 2 222.288 0.665 20 0 BCADLO CCN(C(=O)c1cccnn1)C1C[NH+](CC)C1 ZINC000956996812 644675096 /nfs/dbraw/zinc/67/50/96/644675096.db2.gz DPXVAHDDCAVHQF-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO COCC[N@H+](CCC(=O)OC)Cc1cnc[nH]1 ZINC000093415978 644688693 /nfs/dbraw/zinc/68/86/93/644688693.db2.gz OVRZUKUMOIBITN-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCC[N@@H+](CCC(=O)OC)Cc1cnc[nH]1 ZINC000093415978 644688694 /nfs/dbraw/zinc/68/86/94/644688694.db2.gz OVRZUKUMOIBITN-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCC[N@H+](CCC(=O)OC)Cc1c[nH]cn1 ZINC000093415978 644688698 /nfs/dbraw/zinc/68/86/98/644688698.db2.gz OVRZUKUMOIBITN-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COCC[N@@H+](CCC(=O)OC)Cc1c[nH]cn1 ZINC000093415978 644688699 /nfs/dbraw/zinc/68/86/99/644688699.db2.gz OVRZUKUMOIBITN-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779566915 644713828 /nfs/dbraw/zinc/71/38/28/644713828.db2.gz SEIIVPFBNNOSGU-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C[C@@H]1C ZINC000249140182 644715381 /nfs/dbraw/zinc/71/53/81/644715381.db2.gz VZQYGSQLAIPXNY-IVZWLZJFSA-N 1 2 241.287 0.433 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C[C@@H]1C ZINC000249140182 644715387 /nfs/dbraw/zinc/71/53/87/644715387.db2.gz VZQYGSQLAIPXNY-IVZWLZJFSA-N 1 2 241.287 0.433 20 0 BCADLO Cc1nonc1C[N@@H+](C)CC1(CO)CC1 ZINC000782601445 644742474 /nfs/dbraw/zinc/74/24/74/644742474.db2.gz JVSALCHHMDNBGY-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1nonc1C[N@H+](C)CC1(CO)CC1 ZINC000782601445 644742479 /nfs/dbraw/zinc/74/24/79/644742479.db2.gz JVSALCHHMDNBGY-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000957990930 644766292 /nfs/dbraw/zinc/76/62/92/644766292.db2.gz JLWYCZYASKDCJW-URLYPYJESA-N 1 2 221.260 0.241 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000957990930 644766295 /nfs/dbraw/zinc/76/62/95/644766295.db2.gz JLWYCZYASKDCJW-URLYPYJESA-N 1 2 221.260 0.241 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC000957989711 644766479 /nfs/dbraw/zinc/76/64/79/644766479.db2.gz AMJAJGXPFGTDOD-IAZYJMLFSA-N 1 2 232.287 0.043 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC000957989711 644766484 /nfs/dbraw/zinc/76/64/84/644766484.db2.gz AMJAJGXPFGTDOD-IAZYJMLFSA-N 1 2 232.287 0.043 20 0 BCADLO CCC(=O)CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800470688 644834390 /nfs/dbraw/zinc/83/43/90/644834390.db2.gz MGBLRYXMZBUILO-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO CCC(=O)CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800470688 644834394 /nfs/dbraw/zinc/83/43/94/644834394.db2.gz MGBLRYXMZBUILO-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H](C2CC2)CC1=O ZINC000840083789 644858689 /nfs/dbraw/zinc/85/86/89/644858689.db2.gz NUPYMYOOZUEWGL-NEPJUHHUSA-N 1 2 238.331 0.923 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@H](C2CC2)CC1=O ZINC000840083789 644858691 /nfs/dbraw/zinc/85/86/91/644858691.db2.gz NUPYMYOOZUEWGL-NEPJUHHUSA-N 1 2 238.331 0.923 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NOCC1CC1 ZINC000817339820 644973878 /nfs/dbraw/zinc/97/38/78/644973878.db2.gz YUVFDILMGLOEQO-UHFFFAOYSA-N 1 2 223.276 0.811 20 0 BCADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Cn1cccn1 ZINC000822291554 645041897 /nfs/dbraw/zinc/04/18/97/645041897.db2.gz SHHHTHCOMAEBJP-JTQLQIEISA-N 1 2 247.302 0.601 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CC2(CO)CC2)n1 ZINC000824237670 645054614 /nfs/dbraw/zinc/05/46/14/645054614.db2.gz VDGNXUYZAJPPTL-UHFFFAOYSA-N 1 2 238.335 0.811 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000824237670 645054615 /nfs/dbraw/zinc/05/46/15/645054615.db2.gz VDGNXUYZAJPPTL-UHFFFAOYSA-N 1 2 238.335 0.811 20 0 BCADLO C[S@@](=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000827965293 645090103 /nfs/dbraw/zinc/09/01/03/645090103.db2.gz WCADLDAMXQDJEK-VYUIOLGVSA-N 1 2 203.307 0.228 20 0 BCADLO C[S@@](=O)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000827965293 645090105 /nfs/dbraw/zinc/09/01/05/645090105.db2.gz WCADLDAMXQDJEK-VYUIOLGVSA-N 1 2 203.307 0.228 20 0 BCADLO CS[C@H](CO)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830379733 645123026 /nfs/dbraw/zinc/12/30/26/645123026.db2.gz FAOCNDIKYIEORN-JGVFFNPUSA-N 1 2 243.332 0.181 20 0 BCADLO CS[C@@H](CO)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830379734 645123118 /nfs/dbraw/zinc/12/31/18/645123118.db2.gz FAOCNDIKYIEORN-SFYZADRCSA-N 1 2 243.332 0.181 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830872953 645124902 /nfs/dbraw/zinc/12/49/02/645124902.db2.gz HFYMVIOJWPPPTM-SSDOTTSWSA-N 1 2 209.249 0.436 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC1(F)F ZINC000835268039 645166642 /nfs/dbraw/zinc/16/66/42/645166642.db2.gz XKWSFLJYQIWNDL-BDAKNGLRSA-N 1 2 249.257 0.906 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+](C)CCNC(C)=O)C1 ZINC000842634165 645248967 /nfs/dbraw/zinc/24/89/67/645248967.db2.gz ATXSMOYWKYEGHG-NSHDSACASA-N 1 2 241.335 0.270 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+](C)CCNC(C)=O)C1 ZINC000842634165 645248974 /nfs/dbraw/zinc/24/89/74/645248974.db2.gz ATXSMOYWKYEGHG-NSHDSACASA-N 1 2 241.335 0.270 20 0 BCADLO CC(C)n1cc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)nn1 ZINC000926535228 645259921 /nfs/dbraw/zinc/25/99/21/645259921.db2.gz OBDBAWITQJMGPN-JMJZKYOTSA-N 1 2 240.307 0.269 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1nonc1C ZINC000926575226 645292270 /nfs/dbraw/zinc/29/22/70/645292270.db2.gz HUPQYKZQCMYWLJ-BWVDBABLSA-N 1 2 227.264 0.442 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)[C@H](CC)CO1 ZINC000844385245 645323612 /nfs/dbraw/zinc/32/36/12/645323612.db2.gz HTXOFUHYQORKIC-GHMZBOCLSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)[C@H](CC)CO1 ZINC000844385245 645323617 /nfs/dbraw/zinc/32/36/17/645323617.db2.gz HTXOFUHYQORKIC-GHMZBOCLSA-N 1 2 244.335 0.896 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926637212 645325412 /nfs/dbraw/zinc/32/54/12/645325412.db2.gz KDHZBLLJVNAOEQ-DJLDLDEBSA-N 1 2 212.249 0.739 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926636607 645325999 /nfs/dbraw/zinc/32/59/99/645325999.db2.gz HUPQYKZQCMYWLJ-NBEYISGCSA-N 1 2 227.264 0.442 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(=O)n1C ZINC000844693632 645343790 /nfs/dbraw/zinc/34/37/90/645343790.db2.gz GFUAIIMSENMNNT-BDAKNGLRSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(=O)n1C ZINC000844693632 645343793 /nfs/dbraw/zinc/34/37/93/645343793.db2.gz GFUAIIMSENMNNT-BDAKNGLRSA-N 1 2 224.308 0.578 20 0 BCADLO COc1cc([C@H](C)[NH2+][C@@H]2CCNC2=O)on1 ZINC000926670605 645347530 /nfs/dbraw/zinc/34/75/30/645347530.db2.gz DGHHLJBLZKTQAD-NKWVEPMBSA-N 1 2 225.248 0.222 20 0 BCADLO COCc1nnc(C[NH2+]C2CC(SC)C2)[nH]1 ZINC000926695446 645363231 /nfs/dbraw/zinc/36/32/31/645363231.db2.gz WCTMJXQWVHUSDZ-UHFFFAOYSA-N 1 2 242.348 0.935 20 0 BCADLO CON1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000846970112 645408751 /nfs/dbraw/zinc/40/87/51/645408751.db2.gz AZEPYLAPYOKALZ-QMMMGPOBSA-N 1 2 242.241 0.479 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000926768399 645414520 /nfs/dbraw/zinc/41/45/20/645414520.db2.gz YYNCCWWJBNIUPU-WCBMZHEXSA-N 1 2 240.307 0.095 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](CC=C(Cl)Cl)C1 ZINC000851795855 645468871 /nfs/dbraw/zinc/46/88/71/645468871.db2.gz MWJGMDLSVHUYJQ-KNVOCYPGSA-N 1 2 226.103 0.733 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](CC=C(Cl)Cl)C1 ZINC000851795855 645468873 /nfs/dbraw/zinc/46/88/73/645468873.db2.gz MWJGMDLSVHUYJQ-KNVOCYPGSA-N 1 2 226.103 0.733 20 0 BCADLO C[C@@H]1COC[C@@H]1[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000926826153 645447271 /nfs/dbraw/zinc/44/72/71/645447271.db2.gz XAOCXUSJBDATSW-KCWFYHRYSA-N 1 2 247.364 0.230 20 0 BCADLO CCn1nc(C)c([C@H](C)NC[C@@H]2CC[N@@H+]2C)n1 ZINC000926888184 645473160 /nfs/dbraw/zinc/47/31/60/645473160.db2.gz FQKYIVOQZGLIAW-ONGXEEELSA-N 1 2 237.351 0.961 20 0 BCADLO CCn1nc(C)c([C@H](C)NC[C@@H]2CC[N@H+]2C)n1 ZINC000926888184 645473166 /nfs/dbraw/zinc/47/31/66/645473166.db2.gz FQKYIVOQZGLIAW-ONGXEEELSA-N 1 2 237.351 0.961 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC[C@H]1O ZINC000854848292 645513140 /nfs/dbraw/zinc/51/31/40/645513140.db2.gz BZIFZLKMNKACRM-VHSXEESVSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079749 645540511 /nfs/dbraw/zinc/54/05/11/645540511.db2.gz FMGPPGSYVJEEIU-JTQLQIEISA-N 1 2 249.314 0.865 20 0 BCADLO O=C(CC1(O)CCC1)NCCc1[nH]cc[nH+]1 ZINC000857449339 645555041 /nfs/dbraw/zinc/55/50/41/645555041.db2.gz IHFGWVOISSROAC-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)c1ccnn1C ZINC000927137776 645565549 /nfs/dbraw/zinc/56/55/49/645565549.db2.gz XODVUNVHJKPPOR-UFBFGSQYSA-N 1 2 249.318 0.836 20 0 BCADLO CCC[C@@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000857507606 645571232 /nfs/dbraw/zinc/57/12/32/645571232.db2.gz SNPMJPIXDCHFRS-SNVBAGLBSA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H](O)C1CCC1 ZINC000857507010 645581673 /nfs/dbraw/zinc/58/16/73/645581673.db2.gz LWLMSXJMDXZKHH-JTQLQIEISA-N 1 2 223.276 0.197 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc2n(n1)CCC2 ZINC000857507547 645582019 /nfs/dbraw/zinc/58/20/19/645582019.db2.gz QQOWJYVYJXPPHL-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ncc[nH]1 ZINC000857507308 645582931 /nfs/dbraw/zinc/58/29/31/645582931.db2.gz PJHVHYQOFLPGHY-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927779213 645658647 /nfs/dbraw/zinc/65/86/47/645658647.db2.gz VPVHJFGOPJVGNI-QMMMGPOBSA-N 1 2 223.276 0.705 20 0 BCADLO COC(=O)/C(C)=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC000927978611 645670578 /nfs/dbraw/zinc/67/05/78/645670578.db2.gz VWBWGHYVARLABN-BAQGIRSFSA-N 1 2 237.259 0.188 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928054793 645698392 /nfs/dbraw/zinc/69/83/92/645698392.db2.gz HIZDYIFTCJPNOP-MFKMUULPSA-N 1 2 249.314 0.944 20 0 BCADLO CO[C@@H]1CCCN(NC(=O)Cn2cc[nH+]c2)C1 ZINC000928412638 645727861 /nfs/dbraw/zinc/72/78/61/645727861.db2.gz MLKXMONGTNNFRC-SNVBAGLBSA-N 1 2 238.291 0.025 20 0 BCADLO CO[C@H]1CCCN(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000928422059 645738531 /nfs/dbraw/zinc/73/85/31/645738531.db2.gz LAGPLFNAHHIIRL-VIFPVBQESA-N 1 2 238.291 0.094 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1coc(C2CC2)n1 ZINC000878627766 645821287 /nfs/dbraw/zinc/82/12/87/645821287.db2.gz UKFIVUMWAHJULB-VIFPVBQESA-N 1 2 240.303 0.727 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1coc(C2CC2)n1 ZINC000878627766 645821290 /nfs/dbraw/zinc/82/12/90/645821290.db2.gz UKFIVUMWAHJULB-VIFPVBQESA-N 1 2 240.303 0.727 20 0 BCADLO CC(=O)c1cncc(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928571986 645833016 /nfs/dbraw/zinc/83/30/16/645833016.db2.gz TYJSWZXIDPRWJC-GFCCVEGCSA-N 1 2 247.298 0.718 20 0 BCADLO CC(=O)c1cncc(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928571986 645833019 /nfs/dbraw/zinc/83/30/19/645833019.db2.gz TYJSWZXIDPRWJC-GFCCVEGCSA-N 1 2 247.298 0.718 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)C1CCC1 ZINC000882203639 645839566 /nfs/dbraw/zinc/83/95/66/645839566.db2.gz VSGFXGWQRKPAQT-UHFFFAOYSA-N 1 2 229.305 0.392 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886944672 645892376 /nfs/dbraw/zinc/89/23/76/645892376.db2.gz UNLZLBXZGVEOKB-DCAQKATOSA-N 1 2 245.319 0.458 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944674 645892675 /nfs/dbraw/zinc/89/26/75/645892675.db2.gz UNLZLBXZGVEOKB-HBNTYKKESA-N 1 2 245.319 0.458 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000928921340 645896197 /nfs/dbraw/zinc/89/61/97/645896197.db2.gz XFDKIGKLIQMPGW-YSSBGUOXSA-N 1 2 235.287 0.664 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000928921340 645896205 /nfs/dbraw/zinc/89/62/05/645896205.db2.gz XFDKIGKLIQMPGW-YSSBGUOXSA-N 1 2 235.287 0.664 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@@H](C)C1 ZINC000929109256 645947379 /nfs/dbraw/zinc/94/73/79/645947379.db2.gz LMNKEHLPRRQEMJ-MBACFSSFSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@@H](C)C1 ZINC000929109256 645947390 /nfs/dbraw/zinc/94/73/90/645947390.db2.gz LMNKEHLPRRQEMJ-MBACFSSFSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@H](C)C1 ZINC000929109257 645948831 /nfs/dbraw/zinc/94/88/31/645948831.db2.gz LMNKEHLPRRQEMJ-OLKPEBQYSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@H](C)C1 ZINC000929109257 645948840 /nfs/dbraw/zinc/94/88/40/645948840.db2.gz LMNKEHLPRRQEMJ-OLKPEBQYSA-N 1 2 213.277 0.826 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCO[C@H]1CCOC1 ZINC000930337456 645954089 /nfs/dbraw/zinc/95/40/89/645954089.db2.gz BLDNDEJOZYNYCP-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCO[C@H]1CCOC1 ZINC000930337456 645954093 /nfs/dbraw/zinc/95/40/93/645954093.db2.gz BLDNDEJOZYNYCP-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CC(=O)NCC1(C)C ZINC000930337783 645954128 /nfs/dbraw/zinc/95/41/28/645954128.db2.gz FJVZCGVXPYHEPN-BJMVGYQFSA-N 1 2 226.320 0.790 20 0 BCADLO COC/C(C)=C/C[N@H+]1CC(=O)NCC1(C)C ZINC000930337783 645954132 /nfs/dbraw/zinc/95/41/32/645954132.db2.gz FJVZCGVXPYHEPN-BJMVGYQFSA-N 1 2 226.320 0.790 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000923994555 645968007 /nfs/dbraw/zinc/96/80/07/645968007.db2.gz CFFRGXABUXSJNV-DTORHVGOSA-N 1 2 237.328 0.774 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000924010795 645969725 /nfs/dbraw/zinc/96/97/25/645969725.db2.gz MRWWURBCTYZXNR-UMNHJUIQSA-N 1 2 249.314 0.490 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3c[nH]cn3)no2)O1 ZINC000924093476 645978016 /nfs/dbraw/zinc/97/80/16/645978016.db2.gz ZFOQPNKQSCKRJC-CBAPKCEASA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3c[nH]cn3)no2)O1 ZINC000924093476 645978020 /nfs/dbraw/zinc/97/80/20/645978020.db2.gz ZFOQPNKQSCKRJC-CBAPKCEASA-N 1 2 249.274 0.851 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000924125979 645989344 /nfs/dbraw/zinc/98/93/44/645989344.db2.gz YXALSDGDYNDEDW-RKDXNWHRSA-N 1 2 210.233 0.461 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(C)nn1 ZINC000929230980 646024114 /nfs/dbraw/zinc/02/41/14/646024114.db2.gz FJUPBURVXGMCEO-GFCCVEGCSA-N 1 2 248.330 0.933 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(C)nn1 ZINC000929230980 646024118 /nfs/dbraw/zinc/02/41/18/646024118.db2.gz FJUPBURVXGMCEO-GFCCVEGCSA-N 1 2 248.330 0.933 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000929231237 646025345 /nfs/dbraw/zinc/02/53/45/646025345.db2.gz GZIKWVVIDBUZRY-RNKPRXRFSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000929231237 646025350 /nfs/dbraw/zinc/02/53/50/646025350.db2.gz GZIKWVVIDBUZRY-RNKPRXRFSA-N 1 2 240.303 0.446 20 0 BCADLO O=[S@@](CC[NH+]1CCC(O)CC1)C(F)(F)F ZINC000929238944 646027917 /nfs/dbraw/zinc/02/79/17/646027917.db2.gz UWWZNMDQCLNSTA-HNNXBMFYSA-N 1 2 245.266 0.712 20 0 BCADLO O=[S@](CC[NH+]1CCC(O)CC1)C(F)(F)F ZINC000929238945 646028958 /nfs/dbraw/zinc/02/89/58/646028958.db2.gz UWWZNMDQCLNSTA-OAHLLOKOSA-N 1 2 245.266 0.712 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H](O)[C@@H](C)O)no1 ZINC000929256282 646037071 /nfs/dbraw/zinc/03/70/71/646037071.db2.gz AJVUDFAWLDITEF-SCZZXKLOSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H](O)[C@@H](C)O)no1 ZINC000929256282 646037074 /nfs/dbraw/zinc/03/70/74/646037074.db2.gz AJVUDFAWLDITEF-SCZZXKLOSA-N 1 2 214.265 0.157 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1ccc(F)nc1 ZINC000929259395 646042932 /nfs/dbraw/zinc/04/29/32/646042932.db2.gz XBDQRBMVEBXWLS-MRVPVSSYSA-N 1 2 225.267 0.960 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)nc1 ZINC000929259395 646042937 /nfs/dbraw/zinc/04/29/37/646042937.db2.gz XBDQRBMVEBXWLS-MRVPVSSYSA-N 1 2 225.267 0.960 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cnn(C)n1 ZINC000924632345 646080982 /nfs/dbraw/zinc/08/09/82/646080982.db2.gz MKHZAYRLRJVKIR-BDAKNGLRSA-N 1 2 237.307 0.134 20 0 BCADLO CCc1ncc(C[N@@H+]2CCC[C@H]2C(=O)NC)o1 ZINC000929334070 646084418 /nfs/dbraw/zinc/08/44/18/646084418.db2.gz MCAXKYWJYIHVBW-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO CCc1ncc(C[N@H+]2CCC[C@H]2C(=O)NC)o1 ZINC000929334070 646084424 /nfs/dbraw/zinc/08/44/24/646084424.db2.gz MCAXKYWJYIHVBW-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ncco1 ZINC000924898075 646128681 /nfs/dbraw/zinc/12/86/81/646128681.db2.gz SZFUPYJODGVWAF-YUMQZZPRSA-N 1 2 209.249 0.556 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000929488211 646143859 /nfs/dbraw/zinc/14/38/59/646143859.db2.gz SOACAFQCPZZKIB-FWAPLPHYSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCNC(=O)[C@@H]1C ZINC000929488211 646143861 /nfs/dbraw/zinc/14/38/61/646143861.db2.gz SOACAFQCPZZKIB-FWAPLPHYSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCn2cnnc2C1 ZINC000929568501 646178807 /nfs/dbraw/zinc/17/88/07/646178807.db2.gz AMESYEXFITZURU-KMKOMSMNSA-N 1 2 222.292 0.686 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCn2cnnc2C1 ZINC000929568501 646178811 /nfs/dbraw/zinc/17/88/11/646178811.db2.gz AMESYEXFITZURU-KMKOMSMNSA-N 1 2 222.292 0.686 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOC1CC1 ZINC000929626190 646209114 /nfs/dbraw/zinc/20/91/14/646209114.db2.gz IUBZIEJONZGAHK-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929618042 646200412 /nfs/dbraw/zinc/20/04/12/646200412.db2.gz HPKFYLCAJKKLPN-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929618042 646200418 /nfs/dbraw/zinc/20/04/18/646200418.db2.gz HPKFYLCAJKKLPN-MRVPVSSYSA-N 1 2 240.332 0.496 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOC1CC1 ZINC000929626190 646209103 /nfs/dbraw/zinc/20/91/03/646209103.db2.gz IUBZIEJONZGAHK-SECBINFHSA-N 1 2 235.349 0.530 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCNC(=O)C1(C)C ZINC000929653233 646223196 /nfs/dbraw/zinc/22/31/96/646223196.db2.gz BFIZVZFFRBDAJF-BJMVGYQFSA-N 1 2 226.320 0.790 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCNC(=O)C1(C)C ZINC000929653233 646223201 /nfs/dbraw/zinc/22/32/01/646223201.db2.gz BFIZVZFFRBDAJF-BJMVGYQFSA-N 1 2 226.320 0.790 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c(C)nn1 ZINC000929687546 646242985 /nfs/dbraw/zinc/24/29/85/646242985.db2.gz MYXLVOOZOOUSJG-GFCCVEGCSA-N 1 2 248.330 0.756 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(C)nn1 ZINC000929687546 646242992 /nfs/dbraw/zinc/24/29/92/646242992.db2.gz MYXLVOOZOOUSJG-GFCCVEGCSA-N 1 2 248.330 0.756 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCF ZINC000925598444 646351602 /nfs/dbraw/zinc/35/16/02/646351602.db2.gz KVGKEXHOPZPKCE-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO CCn1nc(C)c([C@@H](C)NCC[NH+]2CCC2)n1 ZINC000925605316 646357802 /nfs/dbraw/zinc/35/78/02/646357802.db2.gz PGHLNUURJLJSKT-SNVBAGLBSA-N 1 2 237.351 0.963 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2COCCO2)no1 ZINC000929968903 646378477 /nfs/dbraw/zinc/37/84/77/646378477.db2.gz SABIINQMKSYYEY-SECBINFHSA-N 1 2 241.291 0.618 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000930014260 646391198 /nfs/dbraw/zinc/39/11/98/646391198.db2.gz QZIAJLKKSHQDMC-VIFPVBQESA-N 1 2 224.264 0.004 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000930014260 646391206 /nfs/dbraw/zinc/39/12/06/646391206.db2.gz QZIAJLKKSHQDMC-VIFPVBQESA-N 1 2 224.264 0.004 20 0 BCADLO CC(C)OCc1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000930085845 646427164 /nfs/dbraw/zinc/42/71/64/646427164.db2.gz JUVTZVBGLCEPBM-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO CC(C)OCc1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000930085845 646427165 /nfs/dbraw/zinc/42/71/65/646427165.db2.gz JUVTZVBGLCEPBM-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000930142775 646456027 /nfs/dbraw/zinc/45/60/27/646456027.db2.gz MLZDYGHIPFDZMN-BNFOFFDWSA-N 1 2 244.360 0.482 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCSC[C@H]1C(N)=O ZINC000930142775 646456030 /nfs/dbraw/zinc/45/60/30/646456030.db2.gz MLZDYGHIPFDZMN-BNFOFFDWSA-N 1 2 244.360 0.482 20 0 BCADLO C[C@@]1(O)CCC[N@H+](Cc2nncs2)C1 ZINC000930147436 646459357 /nfs/dbraw/zinc/45/93/57/646459357.db2.gz RXCOBTMXMREGGT-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](Cc2nncs2)C1 ZINC000930147436 646459361 /nfs/dbraw/zinc/45/93/61/646459361.db2.gz RXCOBTMXMREGGT-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC000925865342 646510047 /nfs/dbraw/zinc/51/00/47/646510047.db2.gz OGCWOIPXDKGBNI-CQSZACIVSA-N 1 2 215.278 0.597 20 0 BCADLO CC(C)[S@@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC000926048942 646564579 /nfs/dbraw/zinc/56/45/79/646564579.db2.gz XRVAFKAVBOAKSN-OAHLLOKOSA-N 1 2 229.305 0.985 20 0 BCADLO Cc1nnc(CC[NH2+][C@H](C)c2cnn(C)n2)[nH]1 ZINC000926114868 646576540 /nfs/dbraw/zinc/57/65/40/646576540.db2.gz LPOHSUPWAYNBSU-SSDOTTSWSA-N 1 2 235.295 0.135 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nonc1C ZINC000926263902 646608860 /nfs/dbraw/zinc/60/88/60/646608860.db2.gz YDZIXOPUPAKQDF-APPZFPTMSA-N 1 2 240.307 0.895 20 0 BCADLO Cc1nonc1[C@@H](C)NCc1c[nH+]cn1C ZINC000926442925 646640686 /nfs/dbraw/zinc/64/06/86/646640686.db2.gz LIFBYTYSFKCGPG-SSDOTTSWSA-N 1 2 221.264 0.962 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724220938 711571310 /nfs/dbraw/zinc/57/13/10/711571310.db2.gz FNFYCCWZCSGYHU-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724220938 711571313 /nfs/dbraw/zinc/57/13/13/711571313.db2.gz FNFYCCWZCSGYHU-IUCAKERBSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC000724714329 711609445 /nfs/dbraw/zinc/60/94/45/711609445.db2.gz AQJAPSNTAMMPJU-NTSWFWBYSA-N 1 2 238.234 0.037 20 0 BCADLO CNc1cc(N[C@@H](CO)CC(F)F)nc[nH+]1 ZINC000717829816 711626823 /nfs/dbraw/zinc/62/68/23/711626823.db2.gz LELCLRLEANKTKM-ZCFIWIBFSA-N 1 2 232.234 0.946 20 0 BCADLO CNc1cc(N[C@@H](CO)CC(F)F)[nH+]cn1 ZINC000717829816 711626827 /nfs/dbraw/zinc/62/68/27/711626827.db2.gz LELCLRLEANKTKM-ZCFIWIBFSA-N 1 2 232.234 0.946 20 0 BCADLO COC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136236145 711691701 /nfs/dbraw/zinc/69/17/01/711691701.db2.gz APOXLJGMLBVJQI-MRVPVSSYSA-N 1 2 202.254 0.063 20 0 BCADLO CCN1CCC[C@@H]([NH2+]Cc2ccon2)C1=O ZINC000722360248 711746545 /nfs/dbraw/zinc/74/65/45/711746545.db2.gz PXNOCNIQLMOBER-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO COCC[NH2+]Cc1nc([C@H]2C[C@H]2C)no1 ZINC000083810996 711810162 /nfs/dbraw/zinc/81/01/62/711810162.db2.gz ZVWDOEGWLGBURC-SFYZADRCSA-N 1 2 211.265 0.929 20 0 BCADLO Cn1cc([C@@H]2CN(C(=O)C(F)F)CC[NH2+]2)cn1 ZINC000913475350 711822519 /nfs/dbraw/zinc/82/25/19/711822519.db2.gz LDYGMUWEVOGUBN-QMMMGPOBSA-N 1 2 244.245 0.158 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2nccs2)C1 ZINC000225343434 711827876 /nfs/dbraw/zinc/82/78/76/711827876.db2.gz HLAVBEHNADLQNZ-VIFPVBQESA-N 1 2 226.349 0.801 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2nccs2)C1 ZINC000225343434 711827877 /nfs/dbraw/zinc/82/78/77/711827877.db2.gz HLAVBEHNADLQNZ-VIFPVBQESA-N 1 2 226.349 0.801 20 0 BCADLO CC[C@H](C[NH+]1CC(NC(=O)C(F)F)C1)OC ZINC001030038260 711825965 /nfs/dbraw/zinc/82/59/65/711825965.db2.gz LLHBXOFEZKVBPG-MRVPVSSYSA-N 1 2 236.262 0.477 20 0 BCADLO CS(C)(=O)=NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000913640552 711847775 /nfs/dbraw/zinc/84/77/75/711847775.db2.gz ZIJPKIDTWMPQRV-QMMMGPOBSA-N 1 2 241.316 0.700 20 0 BCADLO C/C=C\C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914736879 711865341 /nfs/dbraw/zinc/86/53/41/711865341.db2.gz QSZIZLQRNBCXOH-UMBAGQNISA-N 1 2 212.293 0.399 20 0 BCADLO COC(OC)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000706338813 711912144 /nfs/dbraw/zinc/91/21/44/711912144.db2.gz OFNHPZAYSNNMDT-QMMMGPOBSA-N 1 2 227.264 0.007 20 0 BCADLO CC(=O)NC1(C)CC[NH+](Cc2cnon2)CC1 ZINC001045339946 712040084 /nfs/dbraw/zinc/04/00/84/712040084.db2.gz BTJYIXXWRHGSAB-UHFFFAOYSA-N 1 2 238.291 0.560 20 0 BCADLO Fc1ccc(F)c(C[NH2+][C@@H]2CNOC2)c1 ZINC000703350902 712072771 /nfs/dbraw/zinc/07/27/71/712072771.db2.gz PZEFKRMJEHUOHS-SECBINFHSA-N 1 2 214.215 0.958 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708986179 712205291 /nfs/dbraw/zinc/20/52/91/712205291.db2.gz QOYXCCFBYIUQTI-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCN(CC)C(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000708986179 712205292 /nfs/dbraw/zinc/20/52/92/712205292.db2.gz QOYXCCFBYIUQTI-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CNc1cc(N[C@@H]2COCC[C@H]2O)nc[nH+]1 ZINC000711031666 712275663 /nfs/dbraw/zinc/27/56/63/712275663.db2.gz WPNMEIKTCADVJG-HTQZYQBOSA-N 1 2 224.264 0.080 20 0 BCADLO CNc1cc(N[C@@H]2COCC[C@H]2O)[nH+]cn1 ZINC000711031666 712275667 /nfs/dbraw/zinc/27/56/67/712275667.db2.gz WPNMEIKTCADVJG-HTQZYQBOSA-N 1 2 224.264 0.080 20 0 BCADLO COc1ccc[nH+]c1NCc1cnn(C)n1 ZINC000378694494 712357094 /nfs/dbraw/zinc/35/70/94/712357094.db2.gz KHHOXNQJESOWKT-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc[nH]1 ZINC000378862395 712364091 /nfs/dbraw/zinc/36/40/91/712364091.db2.gz SUPPIVCGPBXMIO-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cnn(C)c1Cl ZINC000378860919 712364130 /nfs/dbraw/zinc/36/41/30/712364130.db2.gz PXFVXJFRGIXDPW-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO CO[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000379504948 712386654 /nfs/dbraw/zinc/38/66/54/712386654.db2.gz NIRRXTDUACHPJM-YUMQZZPRSA-N 1 2 209.236 0.771 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715901108 712541100 /nfs/dbraw/zinc/54/11/00/712541100.db2.gz IRSSFBQQLGPVBK-IUCAKERBSA-N 1 2 239.323 0.333 20 0 BCADLO CCn1cc(C[NH2+]CC2OCCCO2)nn1 ZINC000716330050 712554908 /nfs/dbraw/zinc/55/49/08/712554908.db2.gz DOLHZMYDYCNTON-UHFFFAOYSA-N 1 2 226.280 0.151 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC000716954734 712599786 /nfs/dbraw/zinc/59/97/86/712599786.db2.gz BRIOVHBQVQZAPX-UWVGGRQHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1nc(NCCC2CCC2)nc(N)[nH+]1 ZINC000379814005 712607748 /nfs/dbraw/zinc/60/77/48/712607748.db2.gz BHQOZAMTYVFCEC-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO Cc1nc(N)nc(NCCC2CCC2)[nH+]1 ZINC000379814005 712607749 /nfs/dbraw/zinc/60/77/49/712607749.db2.gz BHQOZAMTYVFCEC-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000389892242 712690980 /nfs/dbraw/zinc/69/09/80/712690980.db2.gz ALDOASOXYXRUSY-DJLDLDEBSA-N 1 2 213.277 0.705 20 0 BCADLO CCOCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928634473 712711425 /nfs/dbraw/zinc/71/14/25/712711425.db2.gz DEXVMQQTJNSCAO-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO OCC[C@H]1COCC[N@@H+]1CCc1ccns1 ZINC000719877302 712825101 /nfs/dbraw/zinc/82/51/01/712825101.db2.gz AJVWDSSJZKEMKQ-JTQLQIEISA-N 1 2 242.344 0.769 20 0 BCADLO OCC[C@H]1COCC[N@H+]1CCc1ccns1 ZINC000719877302 712825103 /nfs/dbraw/zinc/82/51/03/712825103.db2.gz AJVWDSSJZKEMKQ-JTQLQIEISA-N 1 2 242.344 0.769 20 0 BCADLO CN1CC[N@H+](CCc2ccns2)C[C@H]1CO ZINC000719874958 712825199 /nfs/dbraw/zinc/82/51/99/712825199.db2.gz TUNGZAGSYDJGFZ-JTQLQIEISA-N 1 2 241.360 0.294 20 0 BCADLO CN1CC[N@@H+](CCc2ccns2)C[C@H]1CO ZINC000719874958 712825202 /nfs/dbraw/zinc/82/52/02/712825202.db2.gz TUNGZAGSYDJGFZ-JTQLQIEISA-N 1 2 241.360 0.294 20 0 BCADLO CC[C@@H]([NH2+]Cc1cc(C)on1)C(=O)NC ZINC000720358128 712833982 /nfs/dbraw/zinc/83/39/82/712833982.db2.gz VAOXLWMUONQFMG-SECBINFHSA-N 1 2 211.265 0.597 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000381495360 710646139 /nfs/dbraw/zinc/64/61/39/710646139.db2.gz MCYRBQFFBDUZHZ-ZJUUUORDSA-N 1 2 225.288 0.993 20 0 BCADLO Cc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)no1 ZINC000381495266 710646462 /nfs/dbraw/zinc/64/64/62/710646462.db2.gz BRBYFYYRYDMXBY-UHFFFAOYSA-N 1 2 246.332 0.896 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)no1 ZINC000381622000 710662505 /nfs/dbraw/zinc/66/25/05/710662505.db2.gz CSORDWJMAXCDCT-PSASIEDQSA-N 1 2 244.316 0.648 20 0 BCADLO CCO[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381668637 710669312 /nfs/dbraw/zinc/66/93/12/710669312.db2.gz WCEWZNISXQLYPD-MRVPVSSYSA-N 1 2 224.260 0.962 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2CCCN(C)C2=O)s1 ZINC000381754016 710701983 /nfs/dbraw/zinc/70/19/83/710701983.db2.gz RTJCMCYOHKHWNK-MRVPVSSYSA-N 1 2 240.332 0.557 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](CCCO)C1CC1 ZINC000380459124 712900858 /nfs/dbraw/zinc/90/08/58/712900858.db2.gz YIMPNLFZEXMPTG-UHFFFAOYSA-N 1 2 249.376 0.656 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](CCCO)C1CC1 ZINC000380459124 712900859 /nfs/dbraw/zinc/90/08/59/712900859.db2.gz YIMPNLFZEXMPTG-UHFFFAOYSA-N 1 2 249.376 0.656 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H](C)CO1 ZINC000724771371 710745892 /nfs/dbraw/zinc/74/58/92/710745892.db2.gz KJMQMKYUEVIDOR-BWZBUEFSSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1csnn1 ZINC000724926784 710748898 /nfs/dbraw/zinc/74/88/98/710748898.db2.gz UWUPRJLXOCILBF-BDAKNGLRSA-N 1 2 243.332 0.994 20 0 BCADLO CC(=O)N(C)C1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001042393429 710779036 /nfs/dbraw/zinc/77/90/36/710779036.db2.gz PQCJNIGCVOZBBH-CQSZACIVSA-N 1 2 248.326 0.883 20 0 BCADLO CCc1cc(C(=O)N(C)C2C[NH+](CC)C2)[nH]n1 ZINC001042491449 710788553 /nfs/dbraw/zinc/78/85/53/710788553.db2.gz XYAWZIWHABNHRI-UHFFFAOYSA-N 1 2 236.319 0.748 20 0 BCADLO CN(C(=O)c1ccoc1)C1C[NH+](CCCO)C1 ZINC001042475179 710785460 /nfs/dbraw/zinc/78/54/60/710785460.db2.gz MNTXCDLUMCQZDL-UHFFFAOYSA-N 1 2 238.287 0.418 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042474808 710785582 /nfs/dbraw/zinc/78/55/82/710785582.db2.gz AAOUWEPICAQKQL-UHFFFAOYSA-N 1 2 238.287 0.682 20 0 BCADLO CN(C(=O)C1(C)CC1)C1C[NH+](CCCO)C1 ZINC001042762028 710797930 /nfs/dbraw/zinc/79/79/30/710797930.db2.gz XRKSTYNWXOUQPP-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC001043232504 710805692 /nfs/dbraw/zinc/80/56/92/710805692.db2.gz IWKXHZRRYFMLOP-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001043542445 710808657 /nfs/dbraw/zinc/80/86/57/710808657.db2.gz TUENKGHVIQFFLY-JTQLQIEISA-N 1 2 240.347 0.700 20 0 BCADLO CN(C(=O)C(C)(C)C1CC1)C1C[NH+](CCO)C1 ZINC001043586689 710811474 /nfs/dbraw/zinc/81/14/74/710811474.db2.gz IZCKWSWXSBXUAB-UHFFFAOYSA-N 1 2 240.347 0.558 20 0 BCADLO Cc1cc(C(=O)N(C)C2C[NH+](CCO)C2)ccn1 ZINC001044074462 710818453 /nfs/dbraw/zinc/81/84/53/710818453.db2.gz FPZHGRININBRJN-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ncccn2)C1 ZINC001044076650 710818488 /nfs/dbraw/zinc/81/84/88/710818488.db2.gz QYUXDRKOTKVCFK-UHFFFAOYSA-N 1 2 220.276 0.253 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044124751 710820038 /nfs/dbraw/zinc/82/00/38/710820038.db2.gz OPPZGFDRJVKFPW-WCQYABFASA-N 1 2 240.347 0.558 20 0 BCADLO CCn1cnc(C(=O)N(C)C2C[NH+](CC)C2)c1 ZINC001044193616 710822078 /nfs/dbraw/zinc/82/20/78/710822078.db2.gz SXPWIWJOAJNBBG-UHFFFAOYSA-N 1 2 236.319 0.679 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001046089397 710846821 /nfs/dbraw/zinc/84/68/21/710846821.db2.gz CPFRVOQYZNRPJE-CYBMUJFWSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001046089397 710846826 /nfs/dbraw/zinc/84/68/26/710846826.db2.gz CPFRVOQYZNRPJE-CYBMUJFWSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@@]1(NC(=O)c2cocn2)CC[N@H+](CCF)C1 ZINC001046191855 710855185 /nfs/dbraw/zinc/85/51/85/710855185.db2.gz DOWVRKFEWWJBFS-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO C[C@@]1(NC(=O)c2cocn2)CC[N@@H+](CCF)C1 ZINC001046191855 710855188 /nfs/dbraw/zinc/85/51/88/710855188.db2.gz DOWVRKFEWWJBFS-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO c1cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)[nH]n1 ZINC000903092504 710891357 /nfs/dbraw/zinc/89/13/57/710891357.db2.gz KSVJMGMPBQOBRM-WDEREUQCSA-N 1 2 223.276 0.447 20 0 BCADLO CCOC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000078302516 710914183 /nfs/dbraw/zinc/91/41/83/710914183.db2.gz LAOXNBQALPPYGT-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO CC(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053706758 710921017 /nfs/dbraw/zinc/92/10/17/710921017.db2.gz QSQDESLACCHCAT-JTQLQIEISA-N 1 2 230.283 0.325 20 0 BCADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053708384 710921697 /nfs/dbraw/zinc/92/16/97/710921697.db2.gz AZRITBHFPBZWJL-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)CO2 ZINC001053894030 710923634 /nfs/dbraw/zinc/92/36/34/710923634.db2.gz FSIALGFCUKKXQR-OUAUKWLOSA-N 1 2 238.331 0.622 20 0 BCADLO CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054300280 710925461 /nfs/dbraw/zinc/92/54/61/710925461.db2.gz ZQHKZEALYJGJCE-OIBJUYFYSA-N 1 2 238.291 0.334 20 0 BCADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051061400 710956007 /nfs/dbraw/zinc/95/60/07/710956007.db2.gz MBJVUHUNGAIJPK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051061400 710956011 /nfs/dbraw/zinc/95/60/11/710956011.db2.gz MBJVUHUNGAIJPK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051142533 710956140 /nfs/dbraw/zinc/95/61/40/710956140.db2.gz OQAQNZUATIIIJH-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051142533 710956141 /nfs/dbraw/zinc/95/61/41/710956141.db2.gz OQAQNZUATIIIJH-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO COCc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000387908973 711048573 /nfs/dbraw/zinc/04/85/73/711048573.db2.gz MCEMFKDMIFKIHF-KWQFWETISA-N 1 2 226.276 0.634 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000387908973 711048575 /nfs/dbraw/zinc/04/85/75/711048575.db2.gz MCEMFKDMIFKIHF-KWQFWETISA-N 1 2 226.276 0.634 20 0 BCADLO Cc1cnnc(NCc2c[nH+]cn2C)c1 ZINC000388478027 711060698 /nfs/dbraw/zinc/06/06/98/711060698.db2.gz SCJKBDYUKXYGND-UHFFFAOYSA-N 1 2 203.249 0.553 20 0 BCADLO CCc1nc(C[NH2+][C@@H](CCO)C2CC2)no1 ZINC000390402844 711115251 /nfs/dbraw/zinc/11/52/51/711115251.db2.gz AKYSHLNEHYJTCF-VIFPVBQESA-N 1 2 225.292 0.883 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1cccnc1Cl ZINC000390574548 711126959 /nfs/dbraw/zinc/12/69/59/711126959.db2.gz OCMXHPVEBHMKCE-SECBINFHSA-N 1 2 244.722 0.910 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1cccnc1Cl ZINC000390574548 711126960 /nfs/dbraw/zinc/12/69/60/711126960.db2.gz OCMXHPVEBHMKCE-SECBINFHSA-N 1 2 244.722 0.910 20 0 BCADLO CCN1C[C@@H](Nc2cc(NC)[nH+]cn2)CC1=O ZINC000391702999 711140411 /nfs/dbraw/zinc/14/04/11/711140411.db2.gz WKDPWPCQSKWAFD-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO CCN1C[C@@H](Nc2cc(NC)nc[nH+]2)CC1=O ZINC000391702999 711140415 /nfs/dbraw/zinc/14/04/15/711140415.db2.gz WKDPWPCQSKWAFD-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO CCN1C[C@H](Nc2cc(NC)[nH+]cn2)CC1=O ZINC000391702997 711140593 /nfs/dbraw/zinc/14/05/93/711140593.db2.gz WKDPWPCQSKWAFD-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO CCN1C[C@H](Nc2cc(NC)nc[nH+]2)CC1=O ZINC000391702997 711140595 /nfs/dbraw/zinc/14/05/95/711140595.db2.gz WKDPWPCQSKWAFD-MRVPVSSYSA-N 1 2 235.291 0.551 20 0 BCADLO C[N@H+](CC[S@](C)=O)C[C@@H](O)C(F)(F)F ZINC000399078540 711420154 /nfs/dbraw/zinc/42/01/54/711420154.db2.gz KFGGIFUXYWAJSJ-RCNPXXIZSA-N 1 2 233.255 0.220 20 0 BCADLO C[N@@H+](CC[S@](C)=O)C[C@@H](O)C(F)(F)F ZINC000399078540 711420155 /nfs/dbraw/zinc/42/01/55/711420155.db2.gz KFGGIFUXYWAJSJ-RCNPXXIZSA-N 1 2 233.255 0.220 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1ncc(Cl)n1C ZINC000380960520 710595643 /nfs/dbraw/zinc/59/56/43/710595643.db2.gz APRHAOFWNCXIHS-QMMMGPOBSA-N 1 2 247.726 0.249 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1ncc(Cl)n1C ZINC000380960520 710595646 /nfs/dbraw/zinc/59/56/46/710595646.db2.gz APRHAOFWNCXIHS-QMMMGPOBSA-N 1 2 247.726 0.249 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018378469 710664006 /nfs/dbraw/zinc/66/40/06/710664006.db2.gz IFXLUYOSACSONV-QMMMGPOBSA-N 1 2 240.332 0.639 20 0 BCADLO CN(C(=O)c1ccccn1)C1C[NH+](CCCO)C1 ZINC001042410755 710780891 /nfs/dbraw/zinc/78/08/91/710780891.db2.gz FLONXDWCHPIRMN-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)c2ccncc2)C1 ZINC001042412502 710781009 /nfs/dbraw/zinc/78/10/09/710781009.db2.gz BKBLIJPIENPHFH-UHFFFAOYSA-N 1 2 249.314 0.484 20 0 BCADLO CC(=O)NC1(C)CC[NH+](Cc2ncccn2)CC1 ZINC001045338581 710838782 /nfs/dbraw/zinc/83/87/82/710838782.db2.gz ILPZWOIJWNQPFI-UHFFFAOYSA-N 1 2 248.330 0.967 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C)CCO2 ZINC001053140359 710919451 /nfs/dbraw/zinc/91/94/51/710919451.db2.gz FJUDXTXVHJWIRY-GHMZBOCLSA-N 1 2 238.331 0.576 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000392455716 711148475 /nfs/dbraw/zinc/14/84/75/711148475.db2.gz MHMYKCCEASXNOF-MRVPVSSYSA-N 1 2 234.307 0.951 20 0 BCADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074130135 711441389 /nfs/dbraw/zinc/44/13/89/711441389.db2.gz BXBZWVPSUFGSGZ-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074130135 711441391 /nfs/dbraw/zinc/44/13/91/711441391.db2.gz BXBZWVPSUFGSGZ-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000383449303 711448263 /nfs/dbraw/zinc/44/82/63/711448263.db2.gz JJYGXHXSAARLFS-NSHDSACASA-N 1 2 235.291 0.677 20 0 BCADLO CCC[C@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000050829009 711503315 /nfs/dbraw/zinc/50/33/15/711503315.db2.gz QJWWOTJJKWMLFR-SECBINFHSA-N 1 2 248.286 0.884 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)c1nc(C)[nH+]c(N)n1 ZINC000724182732 711566276 /nfs/dbraw/zinc/56/62/76/711566276.db2.gz KFKBHOHQBLPUFJ-JGVFFNPUSA-N 1 2 223.280 0.376 20 0 BCADLO CCn1ccnc1C[NH2+]CC1OCCCO1 ZINC000716399727 711573875 /nfs/dbraw/zinc/57/38/75/711573875.db2.gz GNGMIHXJTQVKKR-UHFFFAOYSA-N 1 2 225.292 0.756 20 0 BCADLO [NH3+][C@@H](CC(=O)NCCCn1cccn1)C(F)F ZINC000724742858 711610459 /nfs/dbraw/zinc/61/04/59/711610459.db2.gz QZJUPCIHESJDSP-QMMMGPOBSA-N 1 2 246.261 0.372 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nonc1C ZINC000724886651 711625464 /nfs/dbraw/zinc/62/54/64/711625464.db2.gz IVAQJUANSWMWCP-NXEZZACHSA-N 1 2 227.264 0.272 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001075468874 711635447 /nfs/dbraw/zinc/63/54/47/711635447.db2.gz XROOBGGEINCTQM-GXSJLCMTSA-N 1 2 236.275 0.122 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001075468874 711635449 /nfs/dbraw/zinc/63/54/49/711635449.db2.gz XROOBGGEINCTQM-GXSJLCMTSA-N 1 2 236.275 0.122 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724962004 711637891 /nfs/dbraw/zinc/63/78/91/711637891.db2.gz UQADZKUCIUVRRQ-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724962004 711637893 /nfs/dbraw/zinc/63/78/93/711637893.db2.gz UQADZKUCIUVRRQ-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=S)NC1CC1 ZINC000136029593 711681344 /nfs/dbraw/zinc/68/13/44/711681344.db2.gz BOLFIURLGHXLME-VIFPVBQESA-N 1 2 243.376 0.334 20 0 BCADLO COC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136236113 711691887 /nfs/dbraw/zinc/69/18/87/711691887.db2.gz APOXLJGMLBVJQI-QMMMGPOBSA-N 1 2 202.254 0.063 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCc2cnccn2)[C@H]1C ZINC000930843629 711704959 /nfs/dbraw/zinc/70/49/59/711704959.db2.gz STWAMMHVOGFUGL-DCAQKATOSA-N 1 2 248.330 0.616 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCc2cnccn2)[C@H]1C ZINC000930843629 711704960 /nfs/dbraw/zinc/70/49/60/711704960.db2.gz STWAMMHVOGFUGL-DCAQKATOSA-N 1 2 248.330 0.616 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)nn1 ZINC000893555956 711735865 /nfs/dbraw/zinc/73/58/65/711735865.db2.gz NBQNVWHZKZNKES-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)nn1 ZINC000893555956 711735866 /nfs/dbraw/zinc/73/58/66/711735866.db2.gz NBQNVWHZKZNKES-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO O=C(NC[C@@H]1CC[N@@H+]1CC1CC1)c1nc[nH]n1 ZINC001038826515 711746705 /nfs/dbraw/zinc/74/67/05/711746705.db2.gz PTDKPXUIEBRJFD-VIFPVBQESA-N 1 2 235.291 0.019 20 0 BCADLO O=C(NC[C@@H]1CC[N@H+]1CC1CC1)c1nc[nH]n1 ZINC001038826515 711746708 /nfs/dbraw/zinc/74/67/08/711746708.db2.gz PTDKPXUIEBRJFD-VIFPVBQESA-N 1 2 235.291 0.019 20 0 BCADLO COC(=O)N1CC[NH+](CCC(C)=O)CC1 ZINC000108330328 711766800 /nfs/dbraw/zinc/76/68/00/711766800.db2.gz FUWRAYFUOPMNPR-UHFFFAOYSA-N 1 2 214.265 0.350 20 0 BCADLO CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059123390 711768209 /nfs/dbraw/zinc/76/82/09/711768209.db2.gz QMNJRCXUXSPPRB-MGCOHNPYSA-N 1 2 220.276 0.864 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000928536017 711776911 /nfs/dbraw/zinc/77/69/11/711776911.db2.gz QCVQALKHYBRPGD-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO CC(C)OC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000444716990 711786004 /nfs/dbraw/zinc/78/60/04/711786004.db2.gz QYZXZDBECVQXJZ-SECBINFHSA-N 1 2 240.307 0.807 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000929138250 711798389 /nfs/dbraw/zinc/79/83/89/711798389.db2.gz JWYCRDOVMHHDIF-SNVBAGLBSA-N 1 2 224.260 0.874 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000929138250 711798390 /nfs/dbraw/zinc/79/83/90/711798390.db2.gz JWYCRDOVMHHDIF-SNVBAGLBSA-N 1 2 224.260 0.874 20 0 BCADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)C1CC1 ZINC001076662448 711806804 /nfs/dbraw/zinc/80/68/04/711806804.db2.gz IDHXCTAQBCOZSI-NRNXRYRJSA-N 1 2 244.722 0.310 20 0 BCADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)C1CC1 ZINC001076662448 711806805 /nfs/dbraw/zinc/80/68/05/711806805.db2.gz IDHXCTAQBCOZSI-NRNXRYRJSA-N 1 2 244.722 0.310 20 0 BCADLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001076652101 711807244 /nfs/dbraw/zinc/80/72/44/711807244.db2.gz CJKMQEYTFIXZJM-VXGBXAGGSA-N 1 2 249.314 0.153 20 0 BCADLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001076652101 711807245 /nfs/dbraw/zinc/80/72/45/711807245.db2.gz CJKMQEYTFIXZJM-VXGBXAGGSA-N 1 2 249.314 0.153 20 0 BCADLO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076840061 711809654 /nfs/dbraw/zinc/80/96/54/711809654.db2.gz SZGBMTBPUMGIAL-GHMZBOCLSA-N 1 2 244.310 0.307 20 0 BCADLO O=C(CC1CCC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076840061 711809655 /nfs/dbraw/zinc/80/96/55/711809655.db2.gz SZGBMTBPUMGIAL-GHMZBOCLSA-N 1 2 244.310 0.307 20 0 BCADLO CC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042385461 711817347 /nfs/dbraw/zinc/81/73/47/711817347.db2.gz SYVOCOPYFODPOG-UHFFFAOYSA-N 1 2 222.292 0.083 20 0 BCADLO Cn1cc([C@H]2CN(C(=O)C(F)F)CC[NH2+]2)cn1 ZINC000913475349 711822666 /nfs/dbraw/zinc/82/26/66/711822666.db2.gz LDYGMUWEVOGUBN-MRVPVSSYSA-N 1 2 244.245 0.158 20 0 BCADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CCF ZINC000913507597 711823036 /nfs/dbraw/zinc/82/30/36/711823036.db2.gz QNNLFBCSECWAHN-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CCF ZINC000913507597 711823037 /nfs/dbraw/zinc/82/30/37/711823037.db2.gz QNNLFBCSECWAHN-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030122822 711826855 /nfs/dbraw/zinc/82/68/55/711826855.db2.gz FNZSDWCORZFFGC-QMMMGPOBSA-N 1 2 240.282 0.572 20 0 BCADLO CNc1cc(N2CCC[C@@](C)(O)C2)nc[nH+]1 ZINC000157553058 711828789 /nfs/dbraw/zinc/82/87/89/711828789.db2.gz HDURLDBNMNJTCG-LLVKDONJSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@@](C)(O)C2)[nH+]cn1 ZINC000157553058 711828790 /nfs/dbraw/zinc/82/87/90/711828790.db2.gz HDURLDBNMNJTCG-LLVKDONJSA-N 1 2 222.292 0.870 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001042434353 711831878 /nfs/dbraw/zinc/83/18/78/711831878.db2.gz IVDNAFHVNDBBIE-MWLCHTKSSA-N 1 2 226.320 0.431 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H](C)C2CCC2)C1 ZINC001030507098 711835662 /nfs/dbraw/zinc/83/56/62/711835662.db2.gz ZZWZXRUTQCMROS-SNVBAGLBSA-N 1 2 240.347 0.869 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc(OC)c2C)C1 ZINC001030526441 711836768 /nfs/dbraw/zinc/83/67/68/711836768.db2.gz KNWRRHUZMLLXHR-UHFFFAOYSA-N 1 2 249.314 0.833 20 0 BCADLO C[C@]1(C(=O)NC2C[NH+](CCCO)C2)C=CCC1 ZINC001030798866 711843257 /nfs/dbraw/zinc/84/32/57/711843257.db2.gz ULVUPZWSKNNTBK-ZDUSSCGKSA-N 1 2 238.331 0.526 20 0 BCADLO CONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068407515 711886091 /nfs/dbraw/zinc/88/60/91/711886091.db2.gz ZYTMLUUQDXVJKG-UHFFFAOYSA-N 1 2 235.287 0.863 20 0 BCADLO CNc1cc(N(C)CC(=O)NC2CC2)nc[nH+]1 ZINC000131711668 711936485 /nfs/dbraw/zinc/93/64/85/711936485.db2.gz CDJNDPGDJLBYRQ-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO CNc1cc(N(C)CC(=O)NC2CC2)[nH+]cn1 ZINC000131711668 711936487 /nfs/dbraw/zinc/93/64/87/711936487.db2.gz CDJNDPGDJLBYRQ-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO CNc1nc(N[C@H](C)[C@H](C)O)[nH+]c2ccccc21 ZINC000450535249 711937684 /nfs/dbraw/zinc/93/76/84/711937684.db2.gz LKYAUWMCWPKRTQ-BDAKNGLRSA-N 1 2 246.314 0.697 20 0 BCADLO CNc1nc(N[C@@H](C)[C@@H](C)O)[nH+]c2ccccc21 ZINC000450535250 711937702 /nfs/dbraw/zinc/93/77/02/711937702.db2.gz LKYAUWMCWPKRTQ-DTWKUNHWSA-N 1 2 246.314 0.697 20 0 BCADLO COC(=O)c1cncc(NCc2c[nH+]cn2C)n1 ZINC000357586846 711949614 /nfs/dbraw/zinc/94/96/14/711949614.db2.gz ZBGWSKYCBIOTDT-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000155783201 711976892 /nfs/dbraw/zinc/97/68/92/711976892.db2.gz USAUHLFNFQYUAX-MRVPVSSYSA-N 1 2 221.322 0.330 20 0 BCADLO CC(=O)CC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000155783201 711976893 /nfs/dbraw/zinc/97/68/93/711976893.db2.gz USAUHLFNFQYUAX-MRVPVSSYSA-N 1 2 221.322 0.330 20 0 BCADLO CC[C@H](Nc1cc(NC)[nH+]cn1)C(=O)NC ZINC000700545310 711997347 /nfs/dbraw/zinc/99/73/47/711997347.db2.gz OSFJOAUHICAARV-ZETCQYMHSA-N 1 2 223.280 0.455 20 0 BCADLO CC[C@H](Nc1cc(NC)nc[nH+]1)C(=O)NC ZINC000700545310 711997348 /nfs/dbraw/zinc/99/73/48/711997348.db2.gz OSFJOAUHICAARV-ZETCQYMHSA-N 1 2 223.280 0.455 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](O)c1ccccc1 ZINC000701150691 712017009 /nfs/dbraw/zinc/01/70/09/712017009.db2.gz YFKCQBUHPRJVKL-LBPRGKRZSA-N 1 2 245.282 0.802 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365605262 712033030 /nfs/dbraw/zinc/03/30/30/712033030.db2.gz XGNBJWRHXYDHEQ-ZJUUUORDSA-N 1 2 237.303 0.507 20 0 BCADLO Cc1ccnn1CC(=O)OCc1ccc[nH+]c1N ZINC000922894795 712047523 /nfs/dbraw/zinc/04/75/23/712047523.db2.gz QAKAXNUZFKFDGT-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO C[N@@H+]1CCN(C(=O)OC2CCC2)[C@H](CO)C1 ZINC000703823993 712090060 /nfs/dbraw/zinc/09/00/60/712090060.db2.gz VTIUVFAHEZQRQV-VIFPVBQESA-N 1 2 228.292 0.284 20 0 BCADLO C[N@H+]1CCN(C(=O)OC2CCC2)[C@H](CO)C1 ZINC000703823993 712090061 /nfs/dbraw/zinc/09/00/61/712090061.db2.gz VTIUVFAHEZQRQV-VIFPVBQESA-N 1 2 228.292 0.284 20 0 BCADLO COC[C@H](C)OC(=O)NCCn1cc[nH+]c1 ZINC000704548269 712110341 /nfs/dbraw/zinc/11/03/41/712110341.db2.gz BBYBKUACNTYSAX-VIFPVBQESA-N 1 2 227.264 0.644 20 0 BCADLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cocn1 ZINC000708276697 712185663 /nfs/dbraw/zinc/18/56/63/712185663.db2.gz WQPBUKUZVHBPFR-UHFFFAOYSA-N 1 2 247.320 0.092 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(N)nn2)CCO1 ZINC000708958535 712204165 /nfs/dbraw/zinc/20/41/65/712204165.db2.gz CPIFMHKQPMFUOC-NSHDSACASA-N 1 2 236.319 0.916 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CCO1 ZINC000708958535 712204168 /nfs/dbraw/zinc/20/41/68/712204168.db2.gz CPIFMHKQPMFUOC-NSHDSACASA-N 1 2 236.319 0.916 20 0 BCADLO Cc1[nH]c(CNc2cn(C)nn2)[nH+]c1C ZINC000708996475 712205013 /nfs/dbraw/zinc/20/50/13/712205013.db2.gz FZFZIZONZQQBOI-UHFFFAOYSA-N 1 2 206.253 0.767 20 0 BCADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnsn1)C2 ZINC000709816814 712228472 /nfs/dbraw/zinc/22/84/72/712228472.db2.gz QCPGLRBGLXVVKG-JEZHCXPESA-N 1 2 225.317 0.883 20 0 BCADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnsn1)C2 ZINC000709816814 712228474 /nfs/dbraw/zinc/22/84/74/712228474.db2.gz QCPGLRBGLXVVKG-JEZHCXPESA-N 1 2 225.317 0.883 20 0 BCADLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccoc1 ZINC000710157452 712246161 /nfs/dbraw/zinc/24/61/61/712246161.db2.gz CQGVPUQQBXFZDG-ZJUUUORDSA-N 1 2 245.300 0.181 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOC1CC1)C(C)C ZINC000711730822 712320265 /nfs/dbraw/zinc/32/02/65/712320265.db2.gz KBIWOXJCEVEKAQ-JTQLQIEISA-N 1 2 215.293 0.953 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711739543 712321530 /nfs/dbraw/zinc/32/15/30/712321530.db2.gz QDWWUGFPDWZWRN-VIFPVBQESA-N 1 2 220.276 0.196 20 0 BCADLO CC[N@@H+](CCOC1CC1)CC(=O)OC ZINC000711758130 712325641 /nfs/dbraw/zinc/32/56/41/712325641.db2.gz HMBVGYHRNKSESM-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@H+](CCOC1CC1)CC(=O)OC ZINC000711758130 712325637 /nfs/dbraw/zinc/32/56/37/712325637.db2.gz HMBVGYHRNKSESM-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711798956 712331603 /nfs/dbraw/zinc/33/16/03/712331603.db2.gz JCSMHUJDDOBXKT-VIFPVBQESA-N 1 2 236.319 0.832 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001079323293 712346105 /nfs/dbraw/zinc/34/61/05/712346105.db2.gz OLKWRFMUTGUDKL-MWLCHTKSSA-N 1 2 236.319 0.377 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001079323293 712346108 /nfs/dbraw/zinc/34/61/08/712346108.db2.gz OLKWRFMUTGUDKL-MWLCHTKSSA-N 1 2 236.319 0.377 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC001079328685 712347197 /nfs/dbraw/zinc/34/71/97/712347197.db2.gz IQSILNZHPWNOOS-PRHODGIISA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001079328685 712347200 /nfs/dbraw/zinc/34/72/00/712347200.db2.gz IQSILNZHPWNOOS-PRHODGIISA-N 1 2 237.303 0.939 20 0 BCADLO Cc1cncc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000378709716 712358523 /nfs/dbraw/zinc/35/85/23/712358523.db2.gz SDQSYWSFCOXPAU-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO O[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000378740275 712359795 /nfs/dbraw/zinc/35/97/95/712359795.db2.gz OVHDZENPKYSGDP-JMJZKYOTSA-N 1 2 207.277 0.900 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1nccc2nc[nH]c21 ZINC000714230749 712479708 /nfs/dbraw/zinc/47/97/08/712479708.db2.gz WFSFLBUUKYYYGQ-VIFPVBQESA-N 1 2 247.302 0.700 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1nccc2nc[nH]c21 ZINC000714230749 712479710 /nfs/dbraw/zinc/47/97/10/712479710.db2.gz WFSFLBUUKYYYGQ-VIFPVBQESA-N 1 2 247.302 0.700 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cocn2)C1 ZINC000714244486 712479982 /nfs/dbraw/zinc/47/99/82/712479982.db2.gz JLFSKOXNTRSWMA-XWEPSHTISA-N 1 2 230.289 0.340 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(CCC)nn1 ZINC000714456238 712490140 /nfs/dbraw/zinc/49/01/40/712490140.db2.gz BRMCZIBUZFBZCX-UHFFFAOYSA-N 1 2 239.323 0.304 20 0 BCADLO CCCn1cc(C[NH2+][C@@H](C)C(=O)NCC)nn1 ZINC000714460480 712490834 /nfs/dbraw/zinc/49/08/34/712490834.db2.gz QKBOEXQMFBDIHY-VIFPVBQESA-N 1 2 239.323 0.302 20 0 BCADLO Cc1nc(N2C[C@@H](F)[C@@H](F)C2)nc(N)[nH+]1 ZINC000714515705 712493806 /nfs/dbraw/zinc/49/38/06/712493806.db2.gz USGFTUTWPPRKRT-OLQVQODUSA-N 1 2 215.207 0.258 20 0 BCADLO CCn1cc(C[NH2+][C@H]2CCCN(C)C2=O)nn1 ZINC000714889917 712498843 /nfs/dbraw/zinc/49/88/43/712498843.db2.gz UIVCATYTKVVOQL-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO Cc1nccn1CC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715858033 712537396 /nfs/dbraw/zinc/53/73/96/712537396.db2.gz JXZQWOJBKHZPHF-VIFPVBQESA-N 1 2 234.307 0.671 20 0 BCADLO c1nc(C[NH2+]CC2OCCCO2)cs1 ZINC000716368858 712556613 /nfs/dbraw/zinc/55/66/13/712556613.db2.gz CZOOKBNQLWGPLW-UHFFFAOYSA-N 1 2 214.290 0.996 20 0 BCADLO OC[C@@]12C[C@@H]1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000840290120 712588140 /nfs/dbraw/zinc/58/81/40/712588140.db2.gz BQXLJKHDCQFBJU-RNCFNFMXSA-N 1 2 246.314 0.870 20 0 BCADLO OC[C@@]12C[C@@H]1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000840290120 712588141 /nfs/dbraw/zinc/58/81/41/712588141.db2.gz BQXLJKHDCQFBJU-RNCFNFMXSA-N 1 2 246.314 0.870 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC12CCCC2 ZINC000869126923 712622935 /nfs/dbraw/zinc/62/29/35/712622935.db2.gz HSHRUQNBHFKZKQ-JTQLQIEISA-N 1 2 235.287 0.988 20 0 BCADLO COCC1(C[NH2+][C@H]2CCOC2=O)CCC1 ZINC000379981748 712643681 /nfs/dbraw/zinc/64/36/81/712643681.db2.gz HUPBFDQZEHJURG-VIFPVBQESA-N 1 2 213.277 0.708 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cnn(C)c1 ZINC000380166345 712704975 /nfs/dbraw/zinc/70/49/75/712704975.db2.gz GAMRZIMRTWAJOS-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO Cc1coc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000718428601 712760910 /nfs/dbraw/zinc/76/09/10/712760910.db2.gz FLDWVYGXHGFWJK-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1coc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000718428601 712760911 /nfs/dbraw/zinc/76/09/11/712760911.db2.gz FLDWVYGXHGFWJK-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000718560755 712772748 /nfs/dbraw/zinc/77/27/48/712772748.db2.gz UFIYKMOYOYHGEC-PSASIEDQSA-N 1 2 235.287 0.705 20 0 BCADLO c1nsnc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719111160 712798151 /nfs/dbraw/zinc/79/81/51/712798151.db2.gz ZKLPXCIIRYEOIK-MRVPVSSYSA-N 1 2 241.316 0.733 20 0 BCADLO c1nsnc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719111160 712798152 /nfs/dbraw/zinc/79/81/52/712798152.db2.gz ZKLPXCIIRYEOIK-MRVPVSSYSA-N 1 2 241.316 0.733 20 0 BCADLO Cc1conc1C[N@H+](CCO)CCCO ZINC000720368697 712836290 /nfs/dbraw/zinc/83/62/90/712836290.db2.gz DNOVYUWMPCKCLL-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO Cc1conc1C[N@@H+](CCO)CCCO ZINC000720368697 712836291 /nfs/dbraw/zinc/83/62/91/712836291.db2.gz DNOVYUWMPCKCLL-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO Cc1conc1C[N@@H+](C)CC(C)(CO)CO ZINC000720384439 712837919 /nfs/dbraw/zinc/83/79/19/712837919.db2.gz IDHWAMHIEASGOG-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO Cc1conc1C[N@H+](C)CC(C)(CO)CO ZINC000720384439 712837922 /nfs/dbraw/zinc/83/79/22/712837922.db2.gz IDHWAMHIEASGOG-UHFFFAOYSA-N 1 2 228.292 0.406 20 0 BCADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000720581236 712854384 /nfs/dbraw/zinc/85/43/84/712854384.db2.gz GYMQWDGRBNNMQT-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO Cc1nc(C[NH2+][C@H](CCO)C2CC2)no1 ZINC000380294277 712862187 /nfs/dbraw/zinc/86/21/87/712862187.db2.gz CGISCQCZMXFPEQ-SECBINFHSA-N 1 2 211.265 0.629 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1C[C@H](O)C1 ZINC000720900307 712875173 /nfs/dbraw/zinc/87/51/73/712875173.db2.gz OERADPWQJMIGNZ-ZKCHVHJHSA-N 1 2 233.275 0.546 20 0 BCADLO Cn1ncc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000380351951 712892384 /nfs/dbraw/zinc/89/23/84/712892384.db2.gz VMGKMJURJVZTGS-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cc1cc(C)n(CC[NH2+][C@H](C)c2ncn(C)n2)n1 ZINC000275461293 177928980 /nfs/dbraw/zinc/92/89/80/177928980.db2.gz BWRFYGJVLXXQNH-LLVKDONJSA-N 1 2 248.334 0.979 20 0 BCADLO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)OC ZINC000336672733 168312992 /nfs/dbraw/zinc/31/29/92/168312992.db2.gz ATBOTIBSNAGKOW-UHFFFAOYSA-N 1 2 231.292 0.871 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)C(=O)OC)[nH+]1 ZINC000602122891 349455709 /nfs/dbraw/zinc/45/57/09/349455709.db2.gz OILHAMSGGHCIJJ-SSDOTTSWSA-N 1 2 239.275 0.192 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602130654 349457989 /nfs/dbraw/zinc/45/79/89/349457989.db2.gz OJGKGUPAMWKVRL-LSYCYVAJSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602130654 349457994 /nfs/dbraw/zinc/45/79/94/349457994.db2.gz OJGKGUPAMWKVRL-LSYCYVAJSA-N 1 2 246.376 0.354 20 0 BCADLO COCCc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649867056 398147671 /nfs/dbraw/zinc/14/76/71/398147671.db2.gz DGCYMVZJVJFVCI-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649867056 398147673 /nfs/dbraw/zinc/14/76/73/398147673.db2.gz DGCYMVZJVJFVCI-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CCC(CC)([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000338389431 168331726 /nfs/dbraw/zinc/33/17/26/168331726.db2.gz SJMNSKJXZJLIRG-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H](C)CCO)o1 ZINC000649864792 398146001 /nfs/dbraw/zinc/14/60/01/398146001.db2.gz JWGMCZZHUPFVGL-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H](C)CCO)o1 ZINC000649864792 398146002 /nfs/dbraw/zinc/14/60/02/398146002.db2.gz JWGMCZZHUPFVGL-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873894 349475636 /nfs/dbraw/zinc/47/56/36/349475636.db2.gz SZARNELSHGKZTP-PHIMTYICSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873894 349475640 /nfs/dbraw/zinc/47/56/40/349475640.db2.gz SZARNELSHGKZTP-PHIMTYICSA-N 1 2 228.336 0.964 20 0 BCADLO CCc1cc(C(=O)N(C)Cc2[nH+]ccn2C)[nH]n1 ZINC000299224165 398149391 /nfs/dbraw/zinc/14/93/91/398149391.db2.gz NPZAZSMRPBXPNG-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649867803 398151679 /nfs/dbraw/zinc/15/16/79/398151679.db2.gz SHLHNHPCIOVPRP-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649867803 398151686 /nfs/dbraw/zinc/15/16/86/398151686.db2.gz SHLHNHPCIOVPRP-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)on1 ZINC000163791507 178006434 /nfs/dbraw/zinc/00/64/34/178006434.db2.gz INPCTVCIVOCVOH-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)on1 ZINC000163791507 178006435 /nfs/dbraw/zinc/00/64/35/178006435.db2.gz INPCTVCIVOCVOH-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NC(C)C)no1 ZINC000044296730 178019012 /nfs/dbraw/zinc/01/90/12/178019012.db2.gz AXCYVVPZGKIBMI-UHFFFAOYSA-N 1 2 211.265 0.597 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000303259044 136215193 /nfs/dbraw/zinc/21/51/93/136215193.db2.gz BVCHHQAOSMGKBL-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000303259044 136215194 /nfs/dbraw/zinc/21/51/94/136215194.db2.gz BVCHHQAOSMGKBL-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303242694 136215212 /nfs/dbraw/zinc/21/52/12/136215212.db2.gz NOSVMSYMSLEMLY-SVRRBLITSA-N 1 2 240.225 0.249 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303242694 136215213 /nfs/dbraw/zinc/21/52/13/136215213.db2.gz NOSVMSYMSLEMLY-SVRRBLITSA-N 1 2 240.225 0.249 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CCCN(C)C2=O)no1 ZINC000335705635 178039507 /nfs/dbraw/zinc/03/95/07/178039507.db2.gz IZVDOWNKRSIYTQ-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)nn1 ZINC000162139327 538920900 /nfs/dbraw/zinc/92/09/00/538920900.db2.gz HHTGDZKBJBWSFQ-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1nc[nH+]c(N)c1Cl ZINC000308833940 136216720 /nfs/dbraw/zinc/21/67/20/136216720.db2.gz KKTVLRXTIPGONY-WDSKDSINSA-N 1 2 228.683 0.672 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cocn2)[C@@H]1OC ZINC000277606049 398176875 /nfs/dbraw/zinc/17/68/75/398176875.db2.gz LNOLZEZQZAUIDA-AXFHLTTASA-N 1 2 226.276 0.957 20 0 BCADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)C(N)=O ZINC000353328257 398183685 /nfs/dbraw/zinc/18/36/85/398183685.db2.gz HOPHVGQMDSDVNT-SSDOTTSWSA-N 1 2 247.258 0.330 20 0 BCADLO Cc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(C)s1 ZINC000408442171 398178627 /nfs/dbraw/zinc/17/86/27/398178627.db2.gz KJOOAHMYFNXFAD-NXEZZACHSA-N 1 2 228.317 0.297 20 0 BCADLO C[C@@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277852681 398179169 /nfs/dbraw/zinc/17/91/69/398179169.db2.gz QWCVHACZROCVGX-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO C[C@@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277852681 398179173 /nfs/dbraw/zinc/17/91/73/398179173.db2.gz QWCVHACZROCVGX-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO CN(CC[NH+]1CCCCC1)Cc1n[nH]c(=O)[nH]1 ZINC000649889424 398165653 /nfs/dbraw/zinc/16/56/53/398165653.db2.gz XZFXKXBCEOZORY-UHFFFAOYSA-N 1 2 239.323 0.428 20 0 BCADLO C[C@H](CC(=O)Nc1nncn1C)n1cc[nH+]c1 ZINC000649925402 398188764 /nfs/dbraw/zinc/18/87/64/398188764.db2.gz JYTOQJRDOGMDIQ-MRVPVSSYSA-N 1 2 234.263 0.601 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)on1 ZINC000073021212 398191041 /nfs/dbraw/zinc/19/10/41/398191041.db2.gz GDCYPKJNIWMPEP-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)on1 ZINC000073021212 398191042 /nfs/dbraw/zinc/19/10/42/398191042.db2.gz GDCYPKJNIWMPEP-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO CC(C)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000086365180 398191184 /nfs/dbraw/zinc/19/11/84/398191184.db2.gz XGUXTKGSXZQZOM-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000086365182 398191406 /nfs/dbraw/zinc/19/14/06/398191406.db2.gz XGUXTKGSXZQZOM-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cncnc2)[C@@H](C)C1 ZINC000271199824 538923637 /nfs/dbraw/zinc/92/36/37/538923637.db2.gz SWQKYOHDJAHCLB-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cncnc2)[C@@H](C)C1 ZINC000271199824 538923638 /nfs/dbraw/zinc/92/36/38/538923638.db2.gz SWQKYOHDJAHCLB-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073137824 398193214 /nfs/dbraw/zinc/19/32/14/398193214.db2.gz QOASPAUGIPEMDT-GFCCVEGCSA-N 1 2 249.314 0.556 20 0 BCADLO NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073137824 398193220 /nfs/dbraw/zinc/19/32/20/398193220.db2.gz QOASPAUGIPEMDT-GFCCVEGCSA-N 1 2 249.314 0.556 20 0 BCADLO Cc1cc(N(C)CC(N)=O)nc(C2CC2)[nH+]1 ZINC000265300736 178097061 /nfs/dbraw/zinc/09/70/61/178097061.db2.gz CZSUJQYHOULJFR-UHFFFAOYSA-N 1 2 220.276 0.584 20 0 BCADLO O=C1C[N@H+](CCc2c[nH]nn2)[C@@H]2CCCC[C@H]2N1 ZINC000647966691 398193334 /nfs/dbraw/zinc/19/33/34/398193334.db2.gz FAPKGSCGNMSOIP-GHMZBOCLSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2c[nH]nn2)[C@@H]2CCCC[C@H]2N1 ZINC000647966691 398193337 /nfs/dbraw/zinc/19/33/37/398193337.db2.gz FAPKGSCGNMSOIP-GHMZBOCLSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@H+](CCc2cn[nH]n2)[C@@H]2CCCC[C@H]2N1 ZINC000647966691 398193340 /nfs/dbraw/zinc/19/33/40/398193340.db2.gz FAPKGSCGNMSOIP-GHMZBOCLSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2cn[nH]n2)[C@@H]2CCCC[C@H]2N1 ZINC000647966691 398193342 /nfs/dbraw/zinc/19/33/42/398193342.db2.gz FAPKGSCGNMSOIP-GHMZBOCLSA-N 1 2 249.318 0.090 20 0 BCADLO Cc1cc(N(C)[C@H](C)C[S@](C)=O)nc[nH+]1 ZINC000129633616 178100182 /nfs/dbraw/zinc/10/01/82/178100182.db2.gz HZVQJPGSMCQLGV-RFAUZJTJSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1cc(N)nc(SC[C@@H]2CNC(=O)O2)[nH+]1 ZINC000105831149 178109370 /nfs/dbraw/zinc/10/93/70/178109370.db2.gz UFOTWCIXKUXPOB-LURJTMIESA-N 1 2 240.288 0.568 20 0 BCADLO Cc1cc(N)nc(SCCn2cncn2)[nH+]1 ZINC000263777752 178109494 /nfs/dbraw/zinc/10/94/94/178109494.db2.gz ORVYMOTVSJGFAP-UHFFFAOYSA-N 1 2 236.304 0.751 20 0 BCADLO Cc1cc(N)nc(SCc2cnn(C)n2)[nH+]1 ZINC000289727837 178109568 /nfs/dbraw/zinc/10/95/68/178109568.db2.gz HJEVRGDNEGVRQE-UHFFFAOYSA-N 1 2 236.304 0.788 20 0 BCADLO Cc1cc(N)nc(SCc2nnn(C)n2)[nH+]1 ZINC000194428057 178110302 /nfs/dbraw/zinc/11/03/02/178110302.db2.gz PKEJDFOSXPHDEB-UHFFFAOYSA-N 1 2 237.292 0.183 20 0 BCADLO Cc1cc(N2CC[C@@H](CO)[C@H]2C)nc[nH+]1 ZINC000362659438 178117423 /nfs/dbraw/zinc/11/74/23/178117423.db2.gz VRDNFPQWSYCHDJ-ZJUUUORDSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2CC[C@@](F)(CO)C2)nc[nH+]1 ZINC000338422646 178118197 /nfs/dbraw/zinc/11/81/97/178118197.db2.gz OHMOFVTVHKJBCA-JTQLQIEISA-N 1 2 211.240 0.696 20 0 BCADLO Cc1cc(N2CC[C@H](N3CCCC3=O)C2)nc[nH+]1 ZINC000357746342 178118901 /nfs/dbraw/zinc/11/89/01/178118901.db2.gz LFESJUXCOFFWQJ-NSHDSACASA-N 1 2 246.314 0.986 20 0 BCADLO Cc1cc(N2C[C@@H](O)[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000277311548 178120290 /nfs/dbraw/zinc/12/02/90/178120290.db2.gz CMOKZPNOPHJCNH-NXEZZACHSA-N 1 2 235.287 0.204 20 0 BCADLO C[C@H](O)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000162673683 538924175 /nfs/dbraw/zinc/92/41/75/538924175.db2.gz HDCIPZDVKYJXMI-DTWKUNHWSA-N 1 2 247.302 0.570 20 0 BCADLO Cc1cc(NC(=O)NCCn2cncn2)cc[nH+]1 ZINC000271094924 178139132 /nfs/dbraw/zinc/13/91/32/178139132.db2.gz WBEGCEZPSNJECJ-UHFFFAOYSA-N 1 2 246.274 0.803 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)COC1 ZINC000576305209 365561442 /nfs/dbraw/zinc/56/14/42/365561442.db2.gz RVJFFAISXPGSBZ-SECBINFHSA-N 1 2 223.276 0.424 20 0 BCADLO Cc1cc(C[N@@H+](CCO)C[C@H](C)O)no1 ZINC000336706108 398204434 /nfs/dbraw/zinc/20/44/34/398204434.db2.gz RDRGPPWXOWBLFR-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cc(C[N@H+](CCO)C[C@H](C)O)no1 ZINC000336706108 398204435 /nfs/dbraw/zinc/20/44/35/398204435.db2.gz RDRGPPWXOWBLFR-QMMMGPOBSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1ncoc1C(=O)NCc1c[nH+]cn1C ZINC000576273067 365545777 /nfs/dbraw/zinc/54/57/77/365545777.db2.gz CMZRZFSQNUOLCB-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COC[C@@](C)([NH2+]CC1(C)COC1)C(=O)OC ZINC000309423872 398209797 /nfs/dbraw/zinc/20/97/97/398209797.db2.gz AKQWYINPWNUSPU-LLVKDONJSA-N 1 2 231.292 0.191 20 0 BCADLO Cc1cc(NC(=O)CSCC(N)=O)cc[nH+]1 ZINC000118340227 178132886 /nfs/dbraw/zinc/13/28/86/178132886.db2.gz ACEALHSGALHRIX-UHFFFAOYSA-N 1 2 239.300 0.547 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CO1 ZINC000648635183 398207109 /nfs/dbraw/zinc/20/71/09/398207109.db2.gz FWPYFMFQDGOHMO-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cc(NC(=O)Cn2cnnn2)cc[nH+]1 ZINC000112298318 178136058 /nfs/dbraw/zinc/13/60/58/178136058.db2.gz PHRHRVAALGNNNZ-UHFFFAOYSA-N 1 2 218.220 0.015 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(O)C1 ZINC000576289921 365553809 /nfs/dbraw/zinc/55/38/09/365553809.db2.gz TUNPUEUPPMZCOF-QMMMGPOBSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(O)C1 ZINC000576289921 365553812 /nfs/dbraw/zinc/55/38/12/365553812.db2.gz TUNPUEUPPMZCOF-QMMMGPOBSA-N 1 2 223.276 0.182 20 0 BCADLO Cc1cc(NC(=O)N(C)CCC(N)=O)cc[nH+]1 ZINC000286910702 178136102 /nfs/dbraw/zinc/13/61/02/178136102.db2.gz AKSXTKFEOCWQKH-UHFFFAOYSA-N 1 2 236.275 0.729 20 0 BCADLO Cc1cc(NC(=O)N[C@H](C)CO)cc[nH+]1 ZINC000305742360 178141914 /nfs/dbraw/zinc/14/19/14/178141914.db2.gz SMOUWMHMUBNNKN-MRVPVSSYSA-N 1 2 209.249 0.892 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000179829617 178142436 /nfs/dbraw/zinc/14/24/36/178142436.db2.gz WBRRUEIARFANFM-JTQLQIEISA-N 1 2 248.286 0.742 20 0 BCADLO C[C@H]1CSC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561219640 322997522 /nfs/dbraw/zinc/99/75/22/322997522.db2.gz JEVKIORZIDHDCM-WCBMZHEXSA-N 1 2 239.344 0.830 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccn1 ZINC000086113957 178145137 /nfs/dbraw/zinc/14/51/37/178145137.db2.gz UVSDWFWBRZTNJS-JTQLQIEISA-N 1 2 221.260 0.317 20 0 BCADLO CC(C)CN1CC[N@H+](CCO)[C@@H](C)C1=O ZINC000426225965 398216933 /nfs/dbraw/zinc/21/69/33/398216933.db2.gz KDZCDVDFZOQHEQ-JTQLQIEISA-N 1 2 214.309 0.167 20 0 BCADLO CC(C)CN1CC[N@@H+](CCO)[C@@H](C)C1=O ZINC000426225965 398216934 /nfs/dbraw/zinc/21/69/34/398216934.db2.gz KDZCDVDFZOQHEQ-JTQLQIEISA-N 1 2 214.309 0.167 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC000081234438 178149294 /nfs/dbraw/zinc/14/92/94/178149294.db2.gz SVPGXHBOMZFEJQ-MRVPVSSYSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC000081234438 178149295 /nfs/dbraw/zinc/14/92/95/178149295.db2.gz SVPGXHBOMZFEJQ-MRVPVSSYSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1cc(NCCC(=O)N(C)C)nc[nH+]1 ZINC000040727291 178157878 /nfs/dbraw/zinc/15/78/78/178157878.db2.gz MUHWMAWGGKAIRT-UHFFFAOYSA-N 1 2 208.265 0.675 20 0 BCADLO C([C@H]1CCCO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429291821 192027730 /nfs/dbraw/zinc/02/77/30/192027730.db2.gz GUGIKYXVZXMBPP-MRVPVSSYSA-N 1 2 208.265 0.342 20 0 BCADLO C([C@H]1CCCO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429291821 192027731 /nfs/dbraw/zinc/02/77/31/192027731.db2.gz GUGIKYXVZXMBPP-MRVPVSSYSA-N 1 2 208.265 0.342 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@@H]2CCOC2)nc[nH+]1 ZINC000309701245 178165087 /nfs/dbraw/zinc/16/50/87/178165087.db2.gz MRNJORNCGZNCIS-NXEZZACHSA-N 1 2 223.276 0.594 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000328779639 398212702 /nfs/dbraw/zinc/21/27/02/398212702.db2.gz IZHACSBRHIQEDE-GHMZBOCLSA-N 1 2 234.303 0.971 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000328779639 398212707 /nfs/dbraw/zinc/21/27/07/398212707.db2.gz IZHACSBRHIQEDE-GHMZBOCLSA-N 1 2 234.303 0.971 20 0 BCADLO CN(CCNC(=O)Cn1cc[nH+]c1)CC(F)F ZINC000629843120 361737232 /nfs/dbraw/zinc/73/72/32/361737232.db2.gz RARRROGLJRULQX-UHFFFAOYSA-N 1 2 246.261 0.196 20 0 BCADLO Cc1cc(NCc2n[nH]c(=O)[nH]2)nc(C(C)C)[nH+]1 ZINC000301639163 178176273 /nfs/dbraw/zinc/17/62/73/178176273.db2.gz FXRQENMQXBNKID-UHFFFAOYSA-N 1 2 248.290 0.932 20 0 BCADLO Cc1cc(NCc2ncnn2C)nc[nH+]1 ZINC000301460127 178176716 /nfs/dbraw/zinc/17/67/16/178176716.db2.gz UENXCVQDCVFJTL-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC(F)(F)F ZINC000576442127 365595400 /nfs/dbraw/zinc/59/54/00/365595400.db2.gz QFOYFVUREJWAMK-UHFFFAOYSA-N 1 2 221.182 0.952 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000521039789 259303119 /nfs/dbraw/zinc/30/31/19/259303119.db2.gz PSGBWBGBAJQBDA-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000521039789 259303120 /nfs/dbraw/zinc/30/31/20/259303120.db2.gz PSGBWBGBAJQBDA-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cc(N2CCC[C@@](O)(CO)C2)c(C#N)c[nH+]1 ZINC000398973566 398231829 /nfs/dbraw/zinc/23/18/29/398231829.db2.gz BMGRWVIWZXGADR-ZDUSSCGKSA-N 1 2 247.298 0.585 20 0 BCADLO CC(C)(C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820077 361770148 /nfs/dbraw/zinc/77/01/48/361770148.db2.gz KOHIAVJJTRMASQ-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000561347889 323000154 /nfs/dbraw/zinc/00/01/54/323000154.db2.gz KOMWRKJWBPZQOH-DTWKUNHWSA-N 1 2 222.292 0.333 20 0 BCADLO C[C@H]([NH2+]Cc1nccn1C)[C@H](O)C(F)(F)F ZINC000631234030 361778354 /nfs/dbraw/zinc/77/83/54/361778354.db2.gz CMQWVFGASLHQGD-XPUUQOCRSA-N 1 2 237.225 0.821 20 0 BCADLO Cc1nc(C[NH2+][C@H](CO)C(C)(C)C)no1 ZINC000180635070 398231653 /nfs/dbraw/zinc/23/16/53/398231653.db2.gz JDQPFHFFMOKUGD-MRVPVSSYSA-N 1 2 213.281 0.875 20 0 BCADLO COC(=O)C[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000602441413 349526979 /nfs/dbraw/zinc/52/69/79/349526979.db2.gz FPTBOZUSZCMBHQ-UHFFFAOYSA-N 1 2 234.259 0.514 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000602441413 349526983 /nfs/dbraw/zinc/52/69/83/349526983.db2.gz FPTBOZUSZCMBHQ-UHFFFAOYSA-N 1 2 234.259 0.514 20 0 BCADLO CCCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000280349912 538936988 /nfs/dbraw/zinc/93/69/88/538936988.db2.gz RGTGJBUACAVREB-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO CCCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000280349912 538936989 /nfs/dbraw/zinc/93/69/89/538936989.db2.gz RGTGJBUACAVREB-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO CC[C@@H](C)[C@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000381183476 398233498 /nfs/dbraw/zinc/23/34/98/398233498.db2.gz RPZDNMSUCUAXJX-APPZFPTMSA-N 1 2 239.323 0.487 20 0 BCADLO CC[C@@H](C)[C@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000381183476 398233501 /nfs/dbraw/zinc/23/35/01/398233501.db2.gz RPZDNMSUCUAXJX-APPZFPTMSA-N 1 2 239.323 0.487 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC=CC1 ZINC000636724743 349527381 /nfs/dbraw/zinc/52/73/81/349527381.db2.gz GZZWAHKHRIWRSV-UHFFFAOYSA-N 1 2 206.249 0.502 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ncc(C)o2)C1 ZINC000279194076 538935690 /nfs/dbraw/zinc/93/56/90/538935690.db2.gz FHDQGSFUUIECLA-UHFFFAOYSA-N 1 2 209.249 0.161 20 0 BCADLO COC[C@H]([NH2+]Cc1csnn1)[C@H]1CCCO1 ZINC000336775684 398237002 /nfs/dbraw/zinc/23/70/02/398237002.db2.gz ZQLFBXVBQKOBJE-VHSXEESVSA-N 1 2 243.332 0.822 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1cccn1 ZINC000076420491 398239437 /nfs/dbraw/zinc/23/94/37/398239437.db2.gz BYXMIWBZKHIBRL-JTQLQIEISA-N 1 2 222.292 0.094 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1cccn1 ZINC000076420491 398239440 /nfs/dbraw/zinc/23/94/40/398239440.db2.gz BYXMIWBZKHIBRL-JTQLQIEISA-N 1 2 222.292 0.094 20 0 BCADLO O=C(CO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000334515280 136228865 /nfs/dbraw/zinc/22/88/65/136228865.db2.gz RBIUOGDGXFIDQI-UHFFFAOYSA-N 1 2 240.328 0.385 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000286383600 538943627 /nfs/dbraw/zinc/94/36/27/538943627.db2.gz MEXMGMQAYPMYNQ-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000286383600 538943628 /nfs/dbraw/zinc/94/36/28/538943628.db2.gz MEXMGMQAYPMYNQ-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCNC(=O)C1CN(Cc2[nH+]ccn2CC)C1 ZINC000576671147 365654099 /nfs/dbraw/zinc/65/40/99/365654099.db2.gz SEHYUMUUYFIQSC-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)cnn1 ZINC000291178380 538947585 /nfs/dbraw/zinc/94/75/85/538947585.db2.gz JNFPWZBFCNPLKZ-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CC1CC1 ZINC000290238253 538946084 /nfs/dbraw/zinc/94/60/84/538946084.db2.gz QELFBZPAHHCDGI-UHFFFAOYSA-N 1 2 229.305 0.250 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000291229230 538947692 /nfs/dbraw/zinc/94/76/92/538947692.db2.gz NMJROFXDEVVICN-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO COc1ncccc1C(=O)NCc1c[nH+]cn1C ZINC000290982074 538947084 /nfs/dbraw/zinc/94/70/84/538947084.db2.gz ABDKQQPMJFTDGQ-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]cn2C)[nH]1 ZINC000291143453 538947268 /nfs/dbraw/zinc/94/72/68/538947268.db2.gz GGFYOGZMWQLXNB-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1ncccc1CC(=O)NCc1c[nH+]cn1C ZINC000291251334 538947445 /nfs/dbraw/zinc/94/74/45/538947445.db2.gz OWOISSVLCUIBGE-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CCc1ocnc1C(=O)NCc1c[nH+]cn1C ZINC000291413890 538948010 /nfs/dbraw/zinc/94/80/10/538948010.db2.gz JXDLFSHCNGKPTN-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000291512212 538948150 /nfs/dbraw/zinc/94/81/50/538948150.db2.gz UDEIFSFDPDIBDS-MNOVXSKESA-N 1 2 237.303 0.994 20 0 BCADLO CCC[C@H](C[NH+]1CCS(=O)CC1)OC ZINC000602462307 349556425 /nfs/dbraw/zinc/55/64/25/349556425.db2.gz AXYOWCMELLGNNR-SNVBAGLBSA-N 1 2 219.350 0.866 20 0 BCADLO COC[C@]1(C)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000626176694 346826190 /nfs/dbraw/zinc/82/61/90/346826190.db2.gz VBLWGNXULSFHRU-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000066560513 398265611 /nfs/dbraw/zinc/26/56/11/398265611.db2.gz OEJYTZFMHJDIMZ-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000066560513 398265612 /nfs/dbraw/zinc/26/56/12/398265612.db2.gz OEJYTZFMHJDIMZ-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO COC(=O)C[N@H+](C[C@]1(OC)CCOC1)C1CC1 ZINC000602483780 349566439 /nfs/dbraw/zinc/56/64/39/349566439.db2.gz LJKJBAGLSUNAIT-GFCCVEGCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@@H+](C[C@]1(OC)CCOC1)C1CC1 ZINC000602483780 349566442 /nfs/dbraw/zinc/56/64/42/349566442.db2.gz LJKJBAGLSUNAIT-GFCCVEGCSA-N 1 2 243.303 0.429 20 0 BCADLO O[C@@H]1CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000378742141 346821662 /nfs/dbraw/zinc/82/16/62/346821662.db2.gz PTGJRIWHUDMNOU-VXGBXAGGSA-N 1 2 215.256 0.987 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cc(C)n[nH]1 ZINC000647184910 398267133 /nfs/dbraw/zinc/26/71/33/398267133.db2.gz HNWJWEOYYOIARZ-UHFFFAOYSA-N 1 2 233.275 0.807 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000649468947 398268082 /nfs/dbraw/zinc/26/80/82/398268082.db2.gz PJDRROVRUFVCHR-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000649468947 398268085 /nfs/dbraw/zinc/26/80/85/398268085.db2.gz PJDRROVRUFVCHR-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H]1CN(C(=O)c2ccoc2)CC[N@@H+]1CCO ZINC000188712798 346835396 /nfs/dbraw/zinc/83/53/96/346835396.db2.gz VALGVFSILXNTPQ-JTQLQIEISA-N 1 2 238.287 0.418 20 0 BCADLO C[C@H]1CN(C(=O)c2ccoc2)CC[N@H+]1CCO ZINC000188712798 346835399 /nfs/dbraw/zinc/83/53/99/346835399.db2.gz VALGVFSILXNTPQ-JTQLQIEISA-N 1 2 238.287 0.418 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)NCCF)o1 ZINC000639155481 398268258 /nfs/dbraw/zinc/26/82/58/398268258.db2.gz QGSRCKUZMGPZER-QMMMGPOBSA-N 1 2 229.255 0.547 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+]CC(C)(F)F ZINC000378799726 346836922 /nfs/dbraw/zinc/83/69/22/346836922.db2.gz SYWNPNAVSBVDLZ-ZCFIWIBFSA-N 1 2 215.265 0.664 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473768 398272091 /nfs/dbraw/zinc/27/20/91/398272091.db2.gz DXINSURFKNIPCO-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473768 398272092 /nfs/dbraw/zinc/27/20/92/398272092.db2.gz DXINSURFKNIPCO-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO Cc1[nH]c(CN2CCS(=O)CC2)[nH+]c1C ZINC000600116838 342673865 /nfs/dbraw/zinc/67/38/65/342673865.db2.gz DXDNAPWGWOMSBV-UHFFFAOYSA-N 1 2 227.333 0.591 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2ncnn2CC)CC1=O ZINC000391462280 398275537 /nfs/dbraw/zinc/27/55/37/398275537.db2.gz ALECTCWKHOGEBQ-VIFPVBQESA-N 1 2 237.307 0.008 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616340032 342718062 /nfs/dbraw/zinc/71/80/62/342718062.db2.gz ZOTUXNRBRPIOKW-OUJBWJOFSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616342210 342718267 /nfs/dbraw/zinc/71/82/67/342718267.db2.gz XOPBNQZCVOYIKO-KKFJDGPESA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616342210 342718268 /nfs/dbraw/zinc/71/82/68/342718268.db2.gz XOPBNQZCVOYIKO-KKFJDGPESA-N 1 2 249.314 0.544 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H](C)C[S@](C)=O)[nH+]1 ZINC000600146467 342690155 /nfs/dbraw/zinc/69/01/55/342690155.db2.gz WTLBXSNCIDRXEY-VFZGTOFNSA-N 1 2 229.349 0.917 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000044590235 342690799 /nfs/dbraw/zinc/69/07/99/342690799.db2.gz VJXOBGSXKFKPQY-JTQLQIEISA-N 1 2 223.276 0.866 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000044590235 342690800 /nfs/dbraw/zinc/69/08/00/342690800.db2.gz VJXOBGSXKFKPQY-JTQLQIEISA-N 1 2 223.276 0.866 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)[nH+]c1C ZINC000600173066 342695661 /nfs/dbraw/zinc/69/56/61/342695661.db2.gz KGIFEXXKAVBLDG-PUTJDCORSA-N 1 2 239.344 0.732 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)[C@@H]1SC ZINC000600177849 342696860 /nfs/dbraw/zinc/69/68/60/342696860.db2.gz UMTCZADHRXICFM-AEJSXWLSSA-N 1 2 242.348 0.803 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)[C@@H]1SC ZINC000600177849 342696861 /nfs/dbraw/zinc/69/68/61/342696861.db2.gz UMTCZADHRXICFM-AEJSXWLSSA-N 1 2 242.348 0.803 20 0 BCADLO C[C@@H]1C[N@H+](CC2=CCCOC2)CC[S@]1=O ZINC000335108844 398277723 /nfs/dbraw/zinc/27/77/23/398277723.db2.gz DQLJDTQFVLONNG-MEBBXXQBSA-N 1 2 229.345 0.786 20 0 BCADLO C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[S@]1=O ZINC000335108844 398277726 /nfs/dbraw/zinc/27/77/26/398277726.db2.gz DQLJDTQFVLONNG-MEBBXXQBSA-N 1 2 229.345 0.786 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649483401 398281023 /nfs/dbraw/zinc/28/10/23/398281023.db2.gz LGRKKQGZUSGAAT-GFCCVEGCSA-N 1 2 248.330 0.669 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649483401 398281026 /nfs/dbraw/zinc/28/10/26/398281026.db2.gz LGRKKQGZUSGAAT-GFCCVEGCSA-N 1 2 248.330 0.669 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2CCNC2=O)cc(C)[nH+]1 ZINC000616363356 342721561 /nfs/dbraw/zinc/72/15/61/342721561.db2.gz QEUDFKYDMDJBAR-LLVKDONJSA-N 1 2 247.298 0.451 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)[C@@H](CC)CN1C(C)=O ZINC000472332393 529385869 /nfs/dbraw/zinc/38/58/69/529385869.db2.gz WKMQQAGJOCFRLE-WDEREUQCSA-N 1 2 241.335 0.193 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)[C@@H](CC)CN1C(C)=O ZINC000472332393 529385872 /nfs/dbraw/zinc/38/58/72/529385872.db2.gz WKMQQAGJOCFRLE-WDEREUQCSA-N 1 2 241.335 0.193 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000162239084 349616101 /nfs/dbraw/zinc/61/61/01/349616101.db2.gz RSMMSJWFFSRYGW-BDAKNGLRSA-N 1 2 223.276 0.793 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@](O)(CC)C2)no1 ZINC000332724659 342772456 /nfs/dbraw/zinc/77/24/56/342772456.db2.gz SEGZMHKUHXPXPI-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@](O)(CC)C2)no1 ZINC000332724659 342772458 /nfs/dbraw/zinc/77/24/58/342772458.db2.gz SEGZMHKUHXPXPI-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cn1 ZINC000348764007 136238162 /nfs/dbraw/zinc/23/81/62/136238162.db2.gz OJWBTCICAGHVPE-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3CCOC[C@@H]3C2)cn1 ZINC000348764007 136238163 /nfs/dbraw/zinc/23/81/63/136238163.db2.gz OJWBTCICAGHVPE-ZDUSSCGKSA-N 1 2 248.330 0.301 20 0 BCADLO COCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000624655678 342809809 /nfs/dbraw/zinc/80/98/09/342809809.db2.gz MANYJFSODUKWEH-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO COCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000624655678 342809810 /nfs/dbraw/zinc/80/98/10/342809810.db2.gz MANYJFSODUKWEH-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2cccnc2)CCO1 ZINC000624655529 342809934 /nfs/dbraw/zinc/80/99/34/342809934.db2.gz HECHDYJPWDFSHM-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2cccnc2)CCO1 ZINC000624655529 342809935 /nfs/dbraw/zinc/80/99/35/342809935.db2.gz HECHDYJPWDFSHM-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CCc1nsc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000624677561 342818062 /nfs/dbraw/zinc/81/80/62/342818062.db2.gz IEGQKYFEGRREHJ-MRVPVSSYSA-N 1 2 242.348 0.001 20 0 BCADLO CCc1nsc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624677561 342818064 /nfs/dbraw/zinc/81/80/64/342818064.db2.gz IEGQKYFEGRREHJ-MRVPVSSYSA-N 1 2 242.348 0.001 20 0 BCADLO Cc1nc(N[C@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000189963188 538986369 /nfs/dbraw/zinc/98/63/69/538986369.db2.gz MSCDPNNOHVOXDZ-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO CCc1nsc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624773371 342827364 /nfs/dbraw/zinc/82/73/64/342827364.db2.gz IEGQKYFEGRREHJ-QMMMGPOBSA-N 1 2 242.348 0.001 20 0 BCADLO CCc1nsc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000624773371 342827365 /nfs/dbraw/zinc/82/73/65/342827365.db2.gz IEGQKYFEGRREHJ-QMMMGPOBSA-N 1 2 242.348 0.001 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2ccon2)C1=O ZINC000380206604 538987442 /nfs/dbraw/zinc/98/74/42/538987442.db2.gz WPEVKGLROWXQBA-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](C(N)=O)C1 ZINC000624542296 344004009 /nfs/dbraw/zinc/00/40/09/344004009.db2.gz DNPQZVKJZYCLGC-ZKCHVHJHSA-N 1 2 236.275 0.469 20 0 BCADLO C[N@@H+](Cc1cscn1)C[C@@H]1CCC(=O)N1 ZINC000649496450 398290946 /nfs/dbraw/zinc/29/09/46/398290946.db2.gz WUDBEZRHTVAKJA-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[N@H+](Cc1cscn1)C[C@@H]1CCC(=O)N1 ZINC000649496450 398290947 /nfs/dbraw/zinc/29/09/47/398290947.db2.gz WUDBEZRHTVAKJA-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCC[C@@H]2O)C1 ZINC000634414956 361934597 /nfs/dbraw/zinc/93/45/97/361934597.db2.gz ZOGDQNFRYDTEQK-UWVGGRQHSA-N 1 2 226.320 0.358 20 0 BCADLO CC[C@@](C)(CO)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373012 488182364 /nfs/dbraw/zinc/18/23/64/488182364.db2.gz CXEKHNHTDPCQEW-LBPRGKRZSA-N 1 2 237.303 0.703 20 0 BCADLO Cc1nsc(N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000381832111 539007804 /nfs/dbraw/zinc/00/78/04/539007804.db2.gz NWNMXQBASAMPNW-QMMMGPOBSA-N 1 2 235.316 0.892 20 0 BCADLO Cc1c(C(=O)NCCn2cc[nH+]c2)ccn1C ZINC000195107145 539009254 /nfs/dbraw/zinc/00/92/54/539009254.db2.gz XKXGCRXLXQAKKP-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO COCCN1CC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000383050092 539011298 /nfs/dbraw/zinc/01/12/98/539011298.db2.gz KIXRNXZJZGBVGQ-NSHDSACASA-N 1 2 239.319 0.793 20 0 BCADLO CCn1cc[nH+]c1CNc1nc2ccccn2n1 ZINC000385327242 539012889 /nfs/dbraw/zinc/01/28/89/539012889.db2.gz JTNJXOCKUYYFBM-UHFFFAOYSA-N 1 2 242.286 0.980 20 0 BCADLO Cc1cc(N[C@H]2CCC(=O)N[C@H]2C)nc[nH+]1 ZINC000390406468 539021677 /nfs/dbraw/zinc/02/16/77/539021677.db2.gz BQNVRUOZHBCPNI-IUCAKERBSA-N 1 2 220.276 0.864 20 0 BCADLO COC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011675802 342842457 /nfs/dbraw/zinc/84/24/57/342842457.db2.gz DJLSXPIPMHWGOF-UHFFFAOYSA-N 1 2 238.272 0.628 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C23CC(C2)C3)CCO1 ZINC000625025611 342843596 /nfs/dbraw/zinc/84/35/96/342843596.db2.gz KUBXFWAWQYMEMY-XSRFYTQQSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C23CC(C2)C3)CCO1 ZINC000625025611 342843597 /nfs/dbraw/zinc/84/35/97/342843597.db2.gz KUBXFWAWQYMEMY-XSRFYTQQSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000389711168 539017691 /nfs/dbraw/zinc/01/76/91/539017691.db2.gz VCRXCWXXVGDUSM-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000389711168 539017692 /nfs/dbraw/zinc/01/76/92/539017692.db2.gz VCRXCWXXVGDUSM-CBAPKCEASA-N 1 2 223.276 0.902 20 0 BCADLO CCn1cc(-c2cn(Cc3[nH]cc[nH+]3)nn2)cn1 ZINC000640754472 361992136 /nfs/dbraw/zinc/99/21/36/361992136.db2.gz JDSACNBVHMRHEE-UHFFFAOYSA-N 1 2 243.274 0.933 20 0 BCADLO CCOCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640754402 361992240 /nfs/dbraw/zinc/99/22/40/361992240.db2.gz IFLPDMYJOGQVJM-UHFFFAOYSA-N 1 2 221.264 0.559 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000335645126 136243355 /nfs/dbraw/zinc/24/33/55/136243355.db2.gz ABSPENIHJBQIOO-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000335645126 136243356 /nfs/dbraw/zinc/24/33/56/136243356.db2.gz ABSPENIHJBQIOO-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2cnns2)CC1 ZINC000625086591 342849224 /nfs/dbraw/zinc/84/92/24/342849224.db2.gz KPNQWQMHGNQQTD-UHFFFAOYSA-N 1 2 240.332 0.626 20 0 BCADLO OCCC[N@H+](Cc1cnns1)C1CC1 ZINC000308560485 342853938 /nfs/dbraw/zinc/85/39/38/342853938.db2.gz DYZLCJSZHSVYBJ-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO OCCC[N@@H+](Cc1cnns1)C1CC1 ZINC000308560485 342853940 /nfs/dbraw/zinc/85/39/40/342853940.db2.gz DYZLCJSZHSVYBJ-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000191711925 398302713 /nfs/dbraw/zinc/30/27/13/398302713.db2.gz QEEGEOJCCBTCEZ-XHNCKOQMSA-N 1 2 203.282 0.951 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCN(C)C2=O)c[nH+]1 ZINC000335646146 136243934 /nfs/dbraw/zinc/24/39/34/136243934.db2.gz ZKCHZLKKNWSXIY-MRVPVSSYSA-N 1 2 236.275 0.069 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000351251413 136244336 /nfs/dbraw/zinc/24/43/36/136244336.db2.gz LMPTYJVZPWJDHT-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000351251413 136244337 /nfs/dbraw/zinc/24/43/37/136244337.db2.gz LMPTYJVZPWJDHT-IUCAKERBSA-N 1 2 240.307 0.493 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC(C)(CO)CO ZINC000092822858 398306655 /nfs/dbraw/zinc/30/66/55/398306655.db2.gz AQHMVIFTFAPSAV-UHFFFAOYSA-N 1 2 239.275 0.255 20 0 BCADLO COC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000014207478 342878022 /nfs/dbraw/zinc/87/80/22/342878022.db2.gz IIDNFBPWFINOCM-ZETCQYMHSA-N 1 2 221.264 0.810 20 0 BCADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCO ZINC000059704062 342856473 /nfs/dbraw/zinc/85/64/73/342856473.db2.gz XYOYAICBWGXFPJ-GFCCVEGCSA-N 1 2 237.299 0.743 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000309777409 342895498 /nfs/dbraw/zinc/89/54/98/342895498.db2.gz QDDISVFRKYHSPV-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000309777409 342895499 /nfs/dbraw/zinc/89/54/99/342895499.db2.gz QDDISVFRKYHSPV-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000336343722 398318023 /nfs/dbraw/zinc/31/80/23/398318023.db2.gz HOUBZKTYCQMCKY-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000336343722 398318026 /nfs/dbraw/zinc/31/80/26/398318026.db2.gz HOUBZKTYCQMCKY-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC1CCOCC1 ZINC000625130091 342881887 /nfs/dbraw/zinc/88/18/87/342881887.db2.gz DMPLSEHWJQQKGQ-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC1CCOCC1 ZINC000625130091 342881888 /nfs/dbraw/zinc/88/18/88/342881888.db2.gz DMPLSEHWJQQKGQ-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO COC1CC(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000628035379 342888696 /nfs/dbraw/zinc/88/86/96/342888696.db2.gz JLRQOYMTGNGKNI-UHFFFAOYSA-N 1 2 223.276 0.793 20 0 BCADLO COC1CC(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000628035379 342888698 /nfs/dbraw/zinc/88/86/98/342888698.db2.gz JLRQOYMTGNGKNI-UHFFFAOYSA-N 1 2 223.276 0.793 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H](C)O1 ZINC000247704066 398314889 /nfs/dbraw/zinc/31/48/89/398314889.db2.gz RMUXLJXQLMHTBH-DJLDLDEBSA-N 1 2 243.307 0.069 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H](C)O1 ZINC000247704066 398314892 /nfs/dbraw/zinc/31/48/92/398314892.db2.gz RMUXLJXQLMHTBH-DJLDLDEBSA-N 1 2 243.307 0.069 20 0 BCADLO CCCCOCC[N@@H+]1CCN(C)C(=O)C1 ZINC000133094492 398322002 /nfs/dbraw/zinc/32/20/02/398322002.db2.gz PFGBMURVMLUJGI-UHFFFAOYSA-N 1 2 214.309 0.577 20 0 BCADLO CCCCOCC[N@H+]1CCN(C)C(=O)C1 ZINC000133094492 398322007 /nfs/dbraw/zinc/32/20/07/398322007.db2.gz PFGBMURVMLUJGI-UHFFFAOYSA-N 1 2 214.309 0.577 20 0 BCADLO Cc1nc(N(C)[C@@H](C)CS(C)(=O)=O)cc[nH+]1 ZINC000078250843 342910543 /nfs/dbraw/zinc/91/05/43/342910543.db2.gz YTXVWEVLQHFZIN-QMMMGPOBSA-N 1 2 243.332 0.654 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351572190 136247098 /nfs/dbraw/zinc/24/70/98/136247098.db2.gz CGLKLMOGTXMTTN-FJXKBIBVSA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351572190 136247099 /nfs/dbraw/zinc/24/70/99/136247099.db2.gz CGLKLMOGTXMTTN-FJXKBIBVSA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000562377410 323018633 /nfs/dbraw/zinc/01/86/33/323018633.db2.gz MGUZSLIFYOKFGU-MRVPVSSYSA-N 1 2 208.265 0.070 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000562377410 323018634 /nfs/dbraw/zinc/01/86/34/323018634.db2.gz MGUZSLIFYOKFGU-MRVPVSSYSA-N 1 2 208.265 0.070 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnnn1C ZINC000505610019 529414319 /nfs/dbraw/zinc/41/43/19/529414319.db2.gz JUPXSWKXRSZDQH-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnnn1C ZINC000505610019 529414320 /nfs/dbraw/zinc/41/43/20/529414320.db2.gz JUPXSWKXRSZDQH-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602631428 349648271 /nfs/dbraw/zinc/64/82/71/349648271.db2.gz DMMKJWAXMULBAX-ZJUUUORDSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000152014161 398327163 /nfs/dbraw/zinc/32/71/63/398327163.db2.gz HIZQEOCMDHWXOR-NSHDSACASA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000152014161 398327164 /nfs/dbraw/zinc/32/71/64/398327164.db2.gz HIZQEOCMDHWXOR-NSHDSACASA-N 1 2 239.271 0.962 20 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20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000351759267 536649352 /nfs/dbraw/zinc/64/93/52/536649352.db2.gz RPRAEFKGKNBDOX-ZJUUUORDSA-N 1 2 242.319 0.394 20 0 BCADLO CO[C@@H](C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566448964 398338021 /nfs/dbraw/zinc/33/80/21/398338021.db2.gz NWUNHPUDYKYGAW-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO C[NH+](C)CCn1[nH]c(C2(C)CC2)cc1=O ZINC000634589880 342937244 /nfs/dbraw/zinc/93/72/44/342937244.db2.gz KOCGKZOFMAYMEX-UHFFFAOYSA-N 1 2 209.293 0.936 20 0 BCADLO O=c1c2c([nH]n1Cc1cccnc1)CC[NH2+]C2 ZINC000634592613 342946533 /nfs/dbraw/zinc/94/65/33/342946533.db2.gz OZOAHWLTNGCREM-JTQLQIEISA-N 1 2 230.271 0.389 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(C)(CO)C2)on1 ZINC000602689069 349679681 /nfs/dbraw/zinc/67/96/81/349679681.db2.gz QDUFUMOKQBJZIJ-UHFFFAOYSA-N 1 2 240.259 0.275 20 0 BCADLO CC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493330593 529475123 /nfs/dbraw/zinc/47/51/23/529475123.db2.gz FOEOLDVBVXFCIU-LWTINBJPSA-N 1 2 223.276 0.964 20 0 BCADLO CC[C@@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493809089 529500420 /nfs/dbraw/zinc/50/04/20/529500420.db2.gz GTMXNPRIVBRRLH-ZWNMCFTASA-N 1 2 223.276 0.700 20 0 BCADLO COC(=O)c1cc(C[NH2+][C@@H](C)CF)on1 ZINC000602662546 349681788 /nfs/dbraw/zinc/68/17/88/349681788.db2.gz OXUUYVIVMIOMLZ-LURJTMIESA-N 1 2 216.212 0.909 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cc(C)no2)C1 ZINC000602694033 349691063 /nfs/dbraw/zinc/69/10/63/349691063.db2.gz XGYHFHHNIHTIGW-UHFFFAOYSA-N 1 2 224.260 0.978 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000351803243 136253899 /nfs/dbraw/zinc/25/38/99/136253899.db2.gz NIYINBHSKBJYQC-MNOVXSKESA-N 1 2 226.320 0.481 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000351781958 136254261 /nfs/dbraw/zinc/25/42/61/136254261.db2.gz WKUDTSPUFVZSJE-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000351781958 136254262 /nfs/dbraw/zinc/25/42/62/136254262.db2.gz WKUDTSPUFVZSJE-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)n1 ZINC000351780757 136254304 /nfs/dbraw/zinc/25/43/04/136254304.db2.gz MRYWJHFJSVIZBN-BXKDBHETSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)n1 ZINC000351780757 136254305 /nfs/dbraw/zinc/25/43/05/136254305.db2.gz MRYWJHFJSVIZBN-BXKDBHETSA-N 1 2 237.303 0.367 20 0 BCADLO COC1CC([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000352204149 536719196 /nfs/dbraw/zinc/71/91/96/536719196.db2.gz WMMQEAYTAXQOPP-UHFFFAOYSA-N 1 2 212.253 0.120 20 0 BCADLO COC1CC([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000352204149 536719200 /nfs/dbraw/zinc/71/92/00/536719200.db2.gz WMMQEAYTAXQOPP-UHFFFAOYSA-N 1 2 212.253 0.120 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCC[C@@H](C)O ZINC000493650980 529559462 /nfs/dbraw/zinc/55/94/62/529559462.db2.gz KLWHSKAYNUCBDZ-UMCURTJPSA-N 1 2 237.303 0.803 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C[C@@H](C)O ZINC000492980678 529549579 /nfs/dbraw/zinc/54/95/79/529549579.db2.gz HIDCOEBFDBVPCL-BRAIEQGRSA-N 1 2 237.303 0.755 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@@H](C)CO ZINC000492828407 529549585 /nfs/dbraw/zinc/54/95/85/529549585.db2.gz ZAGCTJHVAVZMMA-PORFMDCZSA-N 1 2 237.303 0.755 20 0 BCADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)NC ZINC000493634491 529572156 /nfs/dbraw/zinc/57/21/56/529572156.db2.gz SNVMRLVQJUHNMH-WTSVBCDHSA-N 1 2 236.275 0.064 20 0 BCADLO CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000220108880 344021170 /nfs/dbraw/zinc/02/11/70/344021170.db2.gz FBMVYXWVCQUVTD-LLVKDONJSA-N 1 2 205.261 0.574 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602766065 349721843 /nfs/dbraw/zinc/72/18/43/349721843.db2.gz LEYYMQWWMOVIGI-SECBINFHSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602766065 349721846 /nfs/dbraw/zinc/72/18/46/349721846.db2.gz LEYYMQWWMOVIGI-SECBINFHSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2noc(COC)n2)C1 ZINC000495253174 529575718 /nfs/dbraw/zinc/57/57/18/529575718.db2.gz YYBCSMDWBSZCPO-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000495253174 529575723 /nfs/dbraw/zinc/57/57/23/529575723.db2.gz YYBCSMDWBSZCPO-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516935809 259336948 /nfs/dbraw/zinc/33/69/48/259336948.db2.gz KBFDUGWLVRJHQN-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516935809 259336951 /nfs/dbraw/zinc/33/69/51/259336951.db2.gz KBFDUGWLVRJHQN-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)c1cc(C[NH2+]C2(C)COC2)on1 ZINC000602739926 349709026 /nfs/dbraw/zinc/70/90/26/349709026.db2.gz MXMWHMJOYJKNNP-UHFFFAOYSA-N 1 2 226.232 0.340 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000602769620 349725065 /nfs/dbraw/zinc/72/50/65/349725065.db2.gz HNLLBYPVJKZGCY-SECBINFHSA-N 1 2 238.291 0.260 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000602769620 349725067 /nfs/dbraw/zinc/72/50/67/349725067.db2.gz HNLLBYPVJKZGCY-SECBINFHSA-N 1 2 238.291 0.260 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2CCO[C@H]2C)CCOC1 ZINC000602797647 349738743 /nfs/dbraw/zinc/73/87/43/349738743.db2.gz LBAXUOYBWPGGCP-NHCYSSNCSA-N 1 2 243.303 0.333 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000602778153 349744698 /nfs/dbraw/zinc/74/46/98/349744698.db2.gz CEBARNBAAQVKEL-JGVFFNPUSA-N 1 2 242.275 0.835 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000602778153 349744699 /nfs/dbraw/zinc/74/46/99/349744699.db2.gz CEBARNBAAQVKEL-JGVFFNPUSA-N 1 2 242.275 0.835 20 0 BCADLO CC[C@@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602764836 349734860 /nfs/dbraw/zinc/73/48/60/349734860.db2.gz ZLXRDNWVGMPREA-LLVKDONJSA-N 1 2 211.309 0.900 20 0 BCADLO CC[C@@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602764836 349734863 /nfs/dbraw/zinc/73/48/63/349734863.db2.gz ZLXRDNWVGMPREA-LLVKDONJSA-N 1 2 211.309 0.900 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000602820734 349760590 /nfs/dbraw/zinc/76/05/90/349760590.db2.gz KWJVFBRYSURMQQ-NAKRPEOUSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000602820734 349760594 /nfs/dbraw/zinc/76/05/94/349760594.db2.gz KWJVFBRYSURMQQ-NAKRPEOUSA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+](C)CCCO)n1 ZINC000602823762 349762848 /nfs/dbraw/zinc/76/28/48/349762848.db2.gz DEQZMPZDGUINMH-MRVPVSSYSA-N 1 2 242.275 0.836 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)CCCO)n1 ZINC000602823762 349762852 /nfs/dbraw/zinc/76/28/52/349762852.db2.gz DEQZMPZDGUINMH-MRVPVSSYSA-N 1 2 242.275 0.836 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602826067 349765812 /nfs/dbraw/zinc/76/58/12/349765812.db2.gz LZVZVEZAQFEYEA-IUCAKERBSA-N 1 2 238.291 0.259 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602826067 349765815 /nfs/dbraw/zinc/76/58/15/349765815.db2.gz LZVZVEZAQFEYEA-IUCAKERBSA-N 1 2 238.291 0.259 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000602809632 349753630 /nfs/dbraw/zinc/75/36/30/349753630.db2.gz AYIJGPRBNOVHCO-GHMZBOCLSA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000602809632 349753632 /nfs/dbraw/zinc/75/36/32/349753632.db2.gz AYIJGPRBNOVHCO-GHMZBOCLSA-N 1 2 238.335 0.375 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000335909701 136262284 /nfs/dbraw/zinc/26/22/84/136262284.db2.gz PVHIOQOMXDCHOD-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO CNC(=O)CCCNc1[nH+]cnc2c1cnn2C ZINC000053573587 346919157 /nfs/dbraw/zinc/91/91/57/346919157.db2.gz NRNQWPHVUVHUGK-UHFFFAOYSA-N 1 2 248.290 0.301 20 0 BCADLO O=c1c2c([n-]n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000634633727 343046798 /nfs/dbraw/zinc/04/67/98/343046798.db2.gz DTRQAWUXUWSRMX-JTQLQIEISA-N 1 2 247.302 0.081 20 0 BCADLO COCc1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634634472 343047260 /nfs/dbraw/zinc/04/72/60/343047260.db2.gz ZJMJTFZWMRZDOD-UHFFFAOYSA-N 1 2 236.275 0.508 20 0 BCADLO Cc1nn(CCCn2cc[nH+]c2)c2c1C(=O)NC2 ZINC000634634236 343047308 /nfs/dbraw/zinc/04/73/08/343047308.db2.gz SFXARVLDVHRAMY-UHFFFAOYSA-N 1 2 245.286 0.722 20 0 BCADLO O=c1c2c[nH]nc2cnn1CCCn1cc[nH+]c1 ZINC000634634176 343047400 /nfs/dbraw/zinc/04/74/00/343047400.db2.gz QJUAWKCOQIFENI-UHFFFAOYSA-N 1 2 244.258 0.406 20 0 BCADLO O[C@@H](C[NH+]1CC2(C1)CCCO2)CC1(O)CCC1 ZINC000634650916 343061158 /nfs/dbraw/zinc/06/11/58/343061158.db2.gz YZJODOKVHCXPBP-LLVKDONJSA-N 1 2 241.331 0.517 20 0 BCADLO [NH3+]CC(F)(F)CNC(=O)c1ccc(F)cc1O ZINC000236183530 343083694 /nfs/dbraw/zinc/08/36/94/343083694.db2.gz REELHCVIZGXRCA-UHFFFAOYSA-N 1 2 248.204 0.855 20 0 BCADLO CO[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000618149541 346925313 /nfs/dbraw/zinc/92/53/13/346925313.db2.gz NXKNJSQZWJQMJQ-SSDOTTSWSA-N 1 2 211.265 0.412 20 0 BCADLO CO[C@H](C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000618149541 346925315 /nfs/dbraw/zinc/92/53/15/346925315.db2.gz NXKNJSQZWJQMJQ-SSDOTTSWSA-N 1 2 211.265 0.412 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCn1cccn1)C(C)C ZINC000049314273 343103669 /nfs/dbraw/zinc/10/36/69/343103669.db2.gz RARUBKCLZUAVTI-JTQLQIEISA-N 1 2 225.292 0.670 20 0 BCADLO COCC[N@H+](C)Cc1cn(CCCF)nn1 ZINC000640938997 362076794 /nfs/dbraw/zinc/07/67/94/362076794.db2.gz XLAMIMBEBHZSDN-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CCCF)nn1 ZINC000640938997 362076801 /nfs/dbraw/zinc/07/68/01/362076801.db2.gz XLAMIMBEBHZSDN-UHFFFAOYSA-N 1 2 230.287 0.716 20 0 BCADLO CC[C@H](C)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939490 362078863 /nfs/dbraw/zinc/07/88/63/362078863.db2.gz AXMSXKLFLJUIBF-ONGXEEELSA-N 1 2 224.308 0.985 20 0 BCADLO COC[C@H]([NH2+]Cc1nnnn1C)c1ccccc1 ZINC000341630252 136271498 /nfs/dbraw/zinc/27/14/98/136271498.db2.gz ARPFRIAAJYMFJZ-NSHDSACASA-N 1 2 247.302 0.687 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnc[nH]1 ZINC000169932164 136270050 /nfs/dbraw/zinc/27/00/50/136270050.db2.gz BYLRQDFMNHMUMU-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000029640075 343144966 /nfs/dbraw/zinc/14/49/66/343144966.db2.gz KDWCCEGNONLQRH-UHFFFAOYSA-N 1 2 247.342 0.863 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000576939842 365725984 /nfs/dbraw/zinc/72/59/84/365725984.db2.gz NDRDNVSQZONDRX-MRVPVSSYSA-N 1 2 226.280 0.510 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000576939842 365725992 /nfs/dbraw/zinc/72/59/92/365725992.db2.gz NDRDNVSQZONDRX-MRVPVSSYSA-N 1 2 226.280 0.510 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2nccn2C)nn1 ZINC000625271331 343179097 /nfs/dbraw/zinc/17/90/97/343179097.db2.gz MBJSBIRYSWSICC-UHFFFAOYSA-N 1 2 234.307 0.223 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2nccn2C)nn1 ZINC000625271331 343179098 /nfs/dbraw/zinc/17/90/98/343179098.db2.gz MBJSBIRYSWSICC-UHFFFAOYSA-N 1 2 234.307 0.223 20 0 BCADLO Cc1nc([C@H]2C[N@H+](CC(C)(C)O)CCO2)no1 ZINC000408031979 136272910 /nfs/dbraw/zinc/27/29/10/136272910.db2.gz RADUZDOSNUQLCS-SECBINFHSA-N 1 2 241.291 0.522 20 0 BCADLO Cc1nc([C@H]2C[N@@H+](CC(C)(C)O)CCO2)no1 ZINC000408031979 136272911 /nfs/dbraw/zinc/27/29/11/136272911.db2.gz RADUZDOSNUQLCS-SECBINFHSA-N 1 2 241.291 0.522 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCSCC1 ZINC000134809737 343195714 /nfs/dbraw/zinc/19/57/14/343195714.db2.gz JLAPCHKBPIUQDU-UHFFFAOYSA-N 1 2 226.305 0.621 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCSCC1 ZINC000134809737 343195716 /nfs/dbraw/zinc/19/57/16/343195716.db2.gz JLAPCHKBPIUQDU-UHFFFAOYSA-N 1 2 226.305 0.621 20 0 BCADLO CO[C@H]1C[C@@H](CO)N(c2cc(C)[nH+]cn2)C1 ZINC000309244215 136274863 /nfs/dbraw/zinc/27/48/63/136274863.db2.gz BQPUMPRECHGYIQ-UWVGGRQHSA-N 1 2 223.276 0.371 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000163339791 343206340 /nfs/dbraw/zinc/20/63/40/343206340.db2.gz LIHYOLPYGPDVKZ-HTQZYQBOSA-N 1 2 201.266 0.299 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)F ZINC000641013617 362128520 /nfs/dbraw/zinc/12/85/20/362128520.db2.gz UTNXZJUOCWWHBJ-RXMQYKEDSA-N 1 2 218.207 0.863 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC1(O)CCC1 ZINC000625277318 343216991 /nfs/dbraw/zinc/21/69/91/343216991.db2.gz ZCPXMGQIUNMIDZ-JTQLQIEISA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC1(O)CCC1 ZINC000625277318 343216992 /nfs/dbraw/zinc/21/69/92/343216992.db2.gz ZCPXMGQIUNMIDZ-JTQLQIEISA-N 1 2 239.319 0.508 20 0 BCADLO Cc1cc(NC(=O)c2cn[nH]n2)cc[nH+]1 ZINC000088330301 259355278 /nfs/dbraw/zinc/35/52/78/259355278.db2.gz QLJRZKAAOGHVKJ-UHFFFAOYSA-N 1 2 203.205 0.760 20 0 BCADLO C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C(F)F ZINC000641003896 362118405 /nfs/dbraw/zinc/11/84/05/362118405.db2.gz LJNDCHLPNSHZKW-ZETCQYMHSA-N 1 2 246.261 0.915 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@H]1CCCO1 ZINC000134840126 343191277 /nfs/dbraw/zinc/19/12/77/343191277.db2.gz HRKYEEGQRIBHTQ-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@H]1CCCO1 ZINC000134840126 343191279 /nfs/dbraw/zinc/19/12/79/343191279.db2.gz HRKYEEGQRIBHTQ-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1CCC[C@@H]1O ZINC000134912080 343192022 /nfs/dbraw/zinc/19/20/22/343192022.db2.gz PSCSXONZYPFXSK-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1CCC[C@@H]1O ZINC000134912080 343192024 /nfs/dbraw/zinc/19/20/24/343192024.db2.gz PSCSXONZYPFXSK-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO CCCN(C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625297825 343226035 /nfs/dbraw/zinc/22/60/35/343226035.db2.gz NECKNLJWOCKMAL-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO CCCN(C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625297825 343226038 /nfs/dbraw/zinc/22/60/38/343226038.db2.gz NECKNLJWOCKMAL-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO COC(C)(C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625300039 343226897 /nfs/dbraw/zinc/22/68/97/343226897.db2.gz LKXACGJBKXXTBK-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO COC(C)(C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625300039 343226899 /nfs/dbraw/zinc/22/68/99/343226899.db2.gz LKXACGJBKXXTBK-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301862 343227646 /nfs/dbraw/zinc/22/76/46/343227646.db2.gz YXZOGPZKTWPUEA-CBAPKCEASA-N 1 2 245.304 0.007 20 0 BCADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301862 343227648 /nfs/dbraw/zinc/22/76/48/343227648.db2.gz YXZOGPZKTWPUEA-CBAPKCEASA-N 1 2 245.304 0.007 20 0 BCADLO Cc1ccoc1C(=O)N1CC[NH+](CCO)CC1 ZINC000035187924 343289148 /nfs/dbraw/zinc/28/91/48/343289148.db2.gz HXVLKDLWBASURG-UHFFFAOYSA-N 1 2 238.287 0.338 20 0 BCADLO Cc1nn(C)cc1-c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035789 362148946 /nfs/dbraw/zinc/14/89/46/362148946.db2.gz ZNEXAUYGUHPVKW-UHFFFAOYSA-N 1 2 243.274 0.758 20 0 BCADLO CCn1cc(-c2cn(Cc3c[nH]c[nH+]3)nn2)cn1 ZINC000641036082 362149132 /nfs/dbraw/zinc/14/91/32/362149132.db2.gz FARDPFVVGCWPKE-UHFFFAOYSA-N 1 2 243.274 0.933 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C1CC1 ZINC000402113638 349803248 /nfs/dbraw/zinc/80/32/48/349803248.db2.gz FBRAYTCZTSDGFZ-UJNFCWOMSA-N 1 2 213.277 0.705 20 0 BCADLO CC[C@@](C)(O)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641039014 362151597 /nfs/dbraw/zinc/15/15/97/362151597.db2.gz XUNHBOFXXBHZFJ-GFCCVEGCSA-N 1 2 249.318 0.763 20 0 BCADLO CCCCc1cc(N[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000631294975 343277105 /nfs/dbraw/zinc/27/71/05/343277105.db2.gz OTUZZULDKNNOCF-GHMZBOCLSA-N 1 2 237.303 0.991 20 0 BCADLO CCn1ccc(CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000622703000 343320261 /nfs/dbraw/zinc/32/02/61/343320261.db2.gz KTPWAZNKDGENMO-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO c1cc(-c2cn(CCCn3cc[nH+]c3)nn2)n[nH]1 ZINC000641055883 362168131 /nfs/dbraw/zinc/16/81/31/362168131.db2.gz WEXKVTFTQVJZBY-UHFFFAOYSA-N 1 2 243.274 0.955 20 0 BCADLO CC[C@H](O)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493717357 529702790 /nfs/dbraw/zinc/70/27/90/529702790.db2.gz DOUNDZCWBHGWSM-OMMCCPJFSA-N 1 2 237.303 0.803 20 0 BCADLO Cn1c[nH+]c(Cn2cc(CC(C)(C)CO)nn2)c1 ZINC000641054226 362164173 /nfs/dbraw/zinc/16/41/73/362164173.db2.gz UZWWAZZGBBXYMV-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053818 362164304 /nfs/dbraw/zinc/16/43/04/362164304.db2.gz OQIZXYSISVPCIO-LBPRGKRZSA-N 1 2 249.318 0.619 20 0 BCADLO COCC[N@H+](CCCO)CC(=O)OC(C)(C)C ZINC000609194745 343363814 /nfs/dbraw/zinc/36/38/14/343363814.db2.gz HOCVMZHQDZYQHI-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO COCC[N@@H+](CCCO)CC(=O)OC(C)(C)C ZINC000609194745 343363816 /nfs/dbraw/zinc/36/38/16/343363816.db2.gz HOCVMZHQDZYQHI-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO CS(=O)(=O)CCOCCNc1cccc[nH+]1 ZINC000078362069 343368535 /nfs/dbraw/zinc/36/85/35/343368535.db2.gz CVZWOEZOTRBHBP-UHFFFAOYSA-N 1 2 244.316 0.555 20 0 BCADLO COC(=O)[C@]1([NH2+]CC(C)C)CCOC1 ZINC000070992976 343342181 /nfs/dbraw/zinc/34/21/81/343342181.db2.gz WKUVACSNJVIIEQ-JTQLQIEISA-N 1 2 201.266 0.564 20 0 BCADLO CCc1nc(C[N@H+](CCO)C2CCC2)no1 ZINC000221143444 343377832 /nfs/dbraw/zinc/37/78/32/343377832.db2.gz WJJPDIFWUQSQBG-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@@H+](CCO)C2CCC2)no1 ZINC000221143444 343377834 /nfs/dbraw/zinc/37/78/34/343377834.db2.gz WJJPDIFWUQSQBG-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000335652065 136305076 /nfs/dbraw/zinc/30/50/76/136305076.db2.gz JIEMHEAEFMLWAH-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000335652065 136305077 /nfs/dbraw/zinc/30/50/77/136305077.db2.gz JIEMHEAEFMLWAH-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299907048 349805994 /nfs/dbraw/zinc/80/59/94/349805994.db2.gz HUUGSECJHQUNEH-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299907048 349805997 /nfs/dbraw/zinc/80/59/97/349805997.db2.gz HUUGSECJHQUNEH-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO O=C1N[C@H](CF)C(=O)N1CCCn1cc[nH+]c1 ZINC000349002375 136315718 /nfs/dbraw/zinc/31/57/18/136315718.db2.gz GMOGGQMYGWHSPC-MRVPVSSYSA-N 1 2 240.238 0.163 20 0 BCADLO O=C1N[C@@H](CF)C(=O)N1CCCn1cc[nH+]c1 ZINC000349002376 136315777 /nfs/dbraw/zinc/31/57/77/136315777.db2.gz GMOGGQMYGWHSPC-QMMMGPOBSA-N 1 2 240.238 0.163 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602907335 349806913 /nfs/dbraw/zinc/80/69/13/349806913.db2.gz MHOACPUFNOFFFB-JOYOIKCWSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602907335 349806916 /nfs/dbraw/zinc/80/69/16/349806916.db2.gz MHOACPUFNOFFFB-JOYOIKCWSA-N 1 2 245.319 0.146 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCOCC1 ZINC000335689756 136324780 /nfs/dbraw/zinc/32/47/80/136324780.db2.gz HMCNPGMQRDYGDK-SECBINFHSA-N 1 2 235.287 0.688 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@H](C)[C@H](O)C2)n1C ZINC000349404096 136344656 /nfs/dbraw/zinc/34/46/56/136344656.db2.gz DOGGHMIRNJMGJT-GXSJLCMTSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@H](C)[C@@H](O)C2)n1C ZINC000349404099 136344833 /nfs/dbraw/zinc/34/48/33/136344833.db2.gz DOGGHMIRNJMGJT-ONGXEEELSA-N 1 2 223.320 0.931 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CCC2)N1CCC1 ZINC000335720547 136345809 /nfs/dbraw/zinc/34/58/09/136345809.db2.gz AIOFODLMVNWNGX-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO O=C(C[N@H+]1CCOCC12CCC2)N1CCC1 ZINC000335720547 136345810 /nfs/dbraw/zinc/34/58/10/136345810.db2.gz AIOFODLMVNWNGX-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO C=Cn1cc(C[NH+]2CCN(C(=O)NC)CC2)cn1 ZINC000335722088 136346048 /nfs/dbraw/zinc/34/60/48/136346048.db2.gz SBGIPFZBHCEQEL-UHFFFAOYSA-N 1 2 249.318 0.441 20 0 BCADLO O=C(N1CC[NH+](C2CC2)CC1)C1(O)CCC1 ZINC000335725217 136346923 /nfs/dbraw/zinc/34/69/23/136346923.db2.gz QGXYMSNXMQXDAY-UHFFFAOYSA-N 1 2 224.304 0.208 20 0 BCADLO COCC[N@H+](C)Cc1cn(CC[C@H](C)O)nn1 ZINC000641092919 362220017 /nfs/dbraw/zinc/22/00/17/362220017.db2.gz NRTTUHPQRKQVKO-JTQLQIEISA-N 1 2 242.323 0.127 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CC[C@H](C)O)nn1 ZINC000641092919 362220021 /nfs/dbraw/zinc/22/00/21/362220021.db2.gz NRTTUHPQRKQVKO-JTQLQIEISA-N 1 2 242.323 0.127 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000335685463 136330000 /nfs/dbraw/zinc/33/00/00/136330000.db2.gz WLUXVMRREFYOGB-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCOC1 ZINC000349192881 136331205 /nfs/dbraw/zinc/33/12/05/136331205.db2.gz PWRGOJDFBCTBEM-NSHDSACASA-N 1 2 223.276 0.495 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349245937 136332549 /nfs/dbraw/zinc/33/25/49/136332549.db2.gz SDNQDOCGEWFFSX-NKWVEPMBSA-N 1 2 240.263 0.169 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349245939 136332845 /nfs/dbraw/zinc/33/28/45/136332845.db2.gz SDNQDOCGEWFFSX-RNFRBKRXSA-N 1 2 240.263 0.169 20 0 BCADLO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccon1 ZINC000349250243 136332888 /nfs/dbraw/zinc/33/28/88/136332888.db2.gz YRHIFBDWZHVIDH-VIFPVBQESA-N 1 2 246.270 0.781 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000349277611 136334257 /nfs/dbraw/zinc/33/42/57/136334257.db2.gz MCJLNOHCFZPYSJ-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000349277611 136334258 /nfs/dbraw/zinc/33/42/58/136334258.db2.gz MCJLNOHCFZPYSJ-SECBINFHSA-N 1 2 226.324 0.846 20 0 BCADLO COCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636361 343446020 /nfs/dbraw/zinc/44/60/20/343446020.db2.gz BCNXCAHFGSVAFQ-UHFFFAOYSA-N 1 2 249.314 0.944 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)s1 ZINC000350266939 136357303 /nfs/dbraw/zinc/35/73/03/136357303.db2.gz MYEAGFQUGQXUNS-BDAKNGLRSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)s1 ZINC000350266939 136357304 /nfs/dbraw/zinc/35/73/04/136357304.db2.gz MYEAGFQUGQXUNS-BDAKNGLRSA-N 1 2 242.344 0.633 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000353993556 136363991 /nfs/dbraw/zinc/36/39/91/136363991.db2.gz CKMSTFGCJHRXKH-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO Cn1cc(-c2cn(CCn3cc[nH+]c3)nn2)cn1 ZINC000641123437 362231857 /nfs/dbraw/zinc/23/18/57/362231857.db2.gz KUSRICZXWRAADH-UHFFFAOYSA-N 1 2 243.274 0.575 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082943826 343472472 /nfs/dbraw/zinc/47/24/72/343472472.db2.gz HRBQBAKULITRJP-QNSHHTMESA-N 1 2 213.277 0.563 20 0 BCADLO Cn1ccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622708634 343516672 /nfs/dbraw/zinc/51/66/72/343516672.db2.gz DMBJCLROWZIBLM-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO Cn1ccnc1NC(=O)Cc1c[nH+]cn1C ZINC000622709096 343517328 /nfs/dbraw/zinc/51/73/28/343517328.db2.gz ZEZOXQYSTNGHMB-UHFFFAOYSA-N 1 2 219.248 0.335 20 0 BCADLO Cn1ccnc1NC(=O)Cn1cc[nH+]c1 ZINC000622709059 343517382 /nfs/dbraw/zinc/51/73/82/343517382.db2.gz XNUITLZIKJXXIM-UHFFFAOYSA-N 1 2 205.221 0.255 20 0 BCADLO C/C=C/CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000623726114 343517568 /nfs/dbraw/zinc/51/75/68/343517568.db2.gz ZJTGJSPASZZHDM-PGLGOXFNSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C/CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000623726114 343517570 /nfs/dbraw/zinc/51/75/70/343517570.db2.gz ZJTGJSPASZZHDM-PGLGOXFNSA-N 1 2 241.335 0.582 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H](O)CSC)CCO1 ZINC000602896998 349813853 /nfs/dbraw/zinc/81/38/53/349813853.db2.gz IIIZMNLYJQJBJC-BDAKNGLRSA-N 1 2 221.322 0.015 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CSC)CCO1 ZINC000602896998 349813859 /nfs/dbraw/zinc/81/38/59/349813859.db2.gz IIIZMNLYJQJBJC-BDAKNGLRSA-N 1 2 221.322 0.015 20 0 BCADLO CCOCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245356 343553453 /nfs/dbraw/zinc/55/34/53/343553453.db2.gz ZROBUCSRHJFOKF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000308993113 346946614 /nfs/dbraw/zinc/94/66/14/346946614.db2.gz ONOYWCXLBDHQKW-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000308993113 346946616 /nfs/dbraw/zinc/94/66/16/346946616.db2.gz ONOYWCXLBDHQKW-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCc1nnc(CNC(=O)C=Cc2[nH]cc[nH+]2)[nH]1 ZINC000493075752 529737589 /nfs/dbraw/zinc/73/75/89/529737589.db2.gz WYCMRLCYVLGOJF-ONEGZZNKSA-N 1 2 246.274 0.420 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](C)C(=O)OC)no1 ZINC000048743395 343587098 /nfs/dbraw/zinc/58/70/98/343587098.db2.gz LVDGUGNERXOGBO-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](C)C(=O)OC)no1 ZINC000048743395 343587101 /nfs/dbraw/zinc/58/71/01/343587101.db2.gz LVDGUGNERXOGBO-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO Cn1cc[nH+]c1CSc1nnnn1C ZINC000048872438 343589626 /nfs/dbraw/zinc/58/96/26/343589626.db2.gz MVFLUVPEJVSAFJ-UHFFFAOYSA-N 1 2 210.266 0.236 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnns1 ZINC000048963339 343590844 /nfs/dbraw/zinc/59/08/44/343590844.db2.gz SXJGIFGBWVYDHF-SSDOTTSWSA-N 1 2 237.288 0.553 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C(C)(C)C ZINC000622738234 343592790 /nfs/dbraw/zinc/59/27/90/343592790.db2.gz HTPZEZZFFORQMV-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C(C)(C)C ZINC000622738234 343592791 /nfs/dbraw/zinc/59/27/91/343592791.db2.gz HTPZEZZFFORQMV-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CN(C)c1ccc(CNC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000049341643 343596273 /nfs/dbraw/zinc/59/62/73/343596273.db2.gz LOVDBVHMWBAFDS-LLVKDONJSA-N 1 2 249.314 0.800 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC1([C@H](C)O)CC1 ZINC000620061310 343618286 /nfs/dbraw/zinc/61/82/86/343618286.db2.gz JPKATIXNWDRAIM-QMMMGPOBSA-N 1 2 223.276 0.290 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC1([C@H](C)O)CC1 ZINC000620061310 343618289 /nfs/dbraw/zinc/61/82/89/343618289.db2.gz JPKATIXNWDRAIM-QMMMGPOBSA-N 1 2 223.276 0.290 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cn[nH]c1 ZINC000622745553 343606010 /nfs/dbraw/zinc/60/60/10/343606010.db2.gz OKAMODLFLUEVRF-UHFFFAOYSA-N 1 2 205.221 0.405 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cn[nH]c1 ZINC000622745553 343606011 /nfs/dbraw/zinc/60/60/11/343606011.db2.gz OKAMODLFLUEVRF-UHFFFAOYSA-N 1 2 205.221 0.405 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929999 349821328 /nfs/dbraw/zinc/82/13/28/349821328.db2.gz CONMKIPONAOJQP-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929999 349821330 /nfs/dbraw/zinc/82/13/30/349821330.db2.gz CONMKIPONAOJQP-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO CN1CC2(C[NH+](CC3(O)CCCC3)C2)OC1=O ZINC000497153627 259367607 /nfs/dbraw/zinc/36/76/07/259367607.db2.gz SVQRFIQNTOXFLW-UHFFFAOYSA-N 1 2 240.303 0.428 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000087263096 343642440 /nfs/dbraw/zinc/64/24/40/343642440.db2.gz ZOBSSOBGEGETQG-QMMMGPOBSA-N 1 2 211.265 0.699 20 0 BCADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCO ZINC000602940533 349825086 /nfs/dbraw/zinc/82/50/86/349825086.db2.gz VTZJLDVDHUILMK-LBPRGKRZSA-N 1 2 237.299 0.743 20 0 BCADLO Cc1cc(NC(=O)c2nc[nH]n2)cc[nH+]1 ZINC000087445228 343649948 /nfs/dbraw/zinc/64/99/48/343649948.db2.gz ZUMLJEVHHRQCGV-UHFFFAOYSA-N 1 2 203.205 0.760 20 0 BCADLO Cc1conc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301438 343664137 /nfs/dbraw/zinc/66/41/37/343664137.db2.gz NMGMPEHFIITPCJ-UHFFFAOYSA-N 1 2 232.243 0.877 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOCCO)C(C)(C)C ZINC000119176683 343664274 /nfs/dbraw/zinc/66/42/74/343664274.db2.gz DFBWDDATQNFRMS-VIFPVBQESA-N 1 2 233.308 0.173 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624056258 343665981 /nfs/dbraw/zinc/66/59/81/343665981.db2.gz ZEPGTKWXFYDULQ-MXWKQRLJSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624056258 343665984 /nfs/dbraw/zinc/66/59/84/343665984.db2.gz ZEPGTKWXFYDULQ-MXWKQRLJSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624056257 343666396 /nfs/dbraw/zinc/66/63/96/343666396.db2.gz ZEPGTKWXFYDULQ-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624056257 343666397 /nfs/dbraw/zinc/66/63/97/343666397.db2.gz ZEPGTKWXFYDULQ-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccco1 ZINC000088094550 343705563 /nfs/dbraw/zinc/70/55/63/343705563.db2.gz HLCJPJCWVFJOJY-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccco1 ZINC000088094550 343705565 /nfs/dbraw/zinc/70/55/65/343705565.db2.gz HLCJPJCWVFJOJY-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2COC[C@@H]2C1 ZINC000620144099 343683787 /nfs/dbraw/zinc/68/37/87/343683787.db2.gz IGUGSXVUEMRASQ-RYUDHWBXSA-N 1 2 249.314 0.768 20 0 BCADLO O[C@@H](CN1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000625436460 343733892 /nfs/dbraw/zinc/73/38/92/343733892.db2.gz GZPYKCRZASHYFF-QMMMGPOBSA-N 1 2 235.209 0.691 20 0 BCADLO CCCNC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625437468 343740269 /nfs/dbraw/zinc/74/02/69/343740269.db2.gz GFSDZQVNZMNARY-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625437923 343740323 /nfs/dbraw/zinc/74/03/23/343740323.db2.gz VUXFJDNOEUNJJG-UHFFFAOYSA-N 1 2 244.298 0.630 20 0 BCADLO O=c1ccccn1CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625437923 343740325 /nfs/dbraw/zinc/74/03/25/343740325.db2.gz VUXFJDNOEUNJJG-UHFFFAOYSA-N 1 2 244.298 0.630 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCc3n[nH]cc3C2)OC1=O ZINC000495655369 529826132 /nfs/dbraw/zinc/82/61/32/529826132.db2.gz WJQXLWUDOMXQHP-SECBINFHSA-N 1 2 236.275 0.218 20 0 BCADLO CN1C[C@H](C[N@H+]2CCc3n[nH]cc3C2)OC1=O ZINC000495655369 529826133 /nfs/dbraw/zinc/82/61/33/529826133.db2.gz WJQXLWUDOMXQHP-SECBINFHSA-N 1 2 236.275 0.218 20 0 BCADLO CN1C[C@@H](C[N@@H+]2CCc3n[nH]cc3C2)OC1=O ZINC000495655370 529817683 /nfs/dbraw/zinc/81/76/83/529817683.db2.gz WJQXLWUDOMXQHP-VIFPVBQESA-N 1 2 236.275 0.218 20 0 BCADLO CN1C[C@@H](C[N@H+]2CCc3n[nH]cc3C2)OC1=O ZINC000495655370 529817684 /nfs/dbraw/zinc/81/76/84/529817684.db2.gz WJQXLWUDOMXQHP-VIFPVBQESA-N 1 2 236.275 0.218 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)CC2)s1 ZINC000126129737 343750261 /nfs/dbraw/zinc/75/02/61/343750261.db2.gz CKOLPFXEEMUFKM-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000126129737 343750262 /nfs/dbraw/zinc/75/02/62/343750262.db2.gz CKOLPFXEEMUFKM-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H]1CC(=O)N(C)C1 ZINC000624400550 343753764 /nfs/dbraw/zinc/75/37/64/343753764.db2.gz RNKRKZXXXVSSGQ-VIFPVBQESA-N 1 2 235.287 0.980 20 0 BCADLO CNC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494230580 529861455 /nfs/dbraw/zinc/86/14/55/529861455.db2.gz LENDSNOHJDQNKW-UHFFFAOYSA-N 1 2 240.278 0.366 20 0 BCADLO CNC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494230580 529861458 /nfs/dbraw/zinc/86/14/58/529861458.db2.gz LENDSNOHJDQNKW-UHFFFAOYSA-N 1 2 240.278 0.366 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCc1cc[nH]n1 ZINC000591134103 537814189 /nfs/dbraw/zinc/81/41/89/537814189.db2.gz PQDTYHLDVCBHSU-UHFFFAOYSA-N 1 2 233.275 0.703 20 0 BCADLO CNC(=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872184 529853154 /nfs/dbraw/zinc/85/31/54/529853154.db2.gz YILGZSNAYFQVBD-PLNGDYQASA-N 1 2 236.275 0.065 20 0 BCADLO CN(CC1(O)CCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493720570 529854849 /nfs/dbraw/zinc/85/48/49/529854849.db2.gz QNKGQQXDHYFMJW-ONEGZZNKSA-N 1 2 235.287 0.796 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)c1nc(C)no1)C(N)=O ZINC000309235279 346996886 /nfs/dbraw/zinc/99/68/86/346996886.db2.gz XJYKTZARRMBQHO-IYSWYEEDSA-N 1 2 212.253 0.293 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C)no1)C(N)=O ZINC000309235276 346996929 /nfs/dbraw/zinc/99/69/29/346996929.db2.gz XJYKTZARRMBQHO-CAHLUQPWSA-N 1 2 212.253 0.293 20 0 BCADLO CCC[C@@H](C)n1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603203462 349886359 /nfs/dbraw/zinc/88/63/59/349886359.db2.gz XRMVKBAJXZUJIE-SCZZXKLOSA-N 1 2 240.307 0.682 20 0 BCADLO O=c1[nH]c(C[N@H+]2CC[C@@H](O)C2)nc2ccccc21 ZINC000061707817 343898762 /nfs/dbraw/zinc/89/87/62/343898762.db2.gz PLRXORFUJQGMQJ-SECBINFHSA-N 1 2 245.282 0.490 20 0 BCADLO O=c1[nH]c(C[N@@H+]2CC[C@@H](O)C2)nc2ccccc21 ZINC000061707817 343898764 /nfs/dbraw/zinc/89/87/64/343898764.db2.gz PLRXORFUJQGMQJ-SECBINFHSA-N 1 2 245.282 0.490 20 0 BCADLO COC[C@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000309267815 347010574 /nfs/dbraw/zinc/01/05/74/347010574.db2.gz JYZWCVKINAMBEQ-SECBINFHSA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000309267815 347010577 /nfs/dbraw/zinc/01/05/77/347010577.db2.gz JYZWCVKINAMBEQ-SECBINFHSA-N 1 2 246.698 0.522 20 0 BCADLO CCN(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000625516632 343915634 /nfs/dbraw/zinc/91/56/34/343915634.db2.gz DJHUQCDNZJSVFW-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCN(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000625516632 343915637 /nfs/dbraw/zinc/91/56/37/343915637.db2.gz DJHUQCDNZJSVFW-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCOC(=O)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000603216875 349895909 /nfs/dbraw/zinc/89/59/09/349895909.db2.gz GMIGEPMIJZXEOE-UHFFFAOYSA-N 1 2 249.274 0.166 20 0 BCADLO COCC[NH+]1CCN(C(=O)C23CC(C2)C3)CC1 ZINC000625543199 343931489 /nfs/dbraw/zinc/93/14/89/343931489.db2.gz QAJNOHQGHOJMSG-UHFFFAOYSA-N 1 2 238.331 0.577 20 0 BCADLO CC(C)OC(=O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000603219142 349897049 /nfs/dbraw/zinc/89/70/49/349897049.db2.gz WIKYMDLZAOZIIR-UHFFFAOYSA-N 1 2 249.274 0.625 20 0 BCADLO CC[C@@](C)(O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641218383 362278369 /nfs/dbraw/zinc/27/83/69/362278369.db2.gz WKRIKEVFOBPRMR-LLVKDONJSA-N 1 2 235.291 0.684 20 0 BCADLO C[C@@H](CC(=O)N1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC000569346047 343958868 /nfs/dbraw/zinc/95/88/68/343958868.db2.gz FWYDJZFKHGUGJN-WDEREUQCSA-N 1 2 237.303 0.818 20 0 BCADLO CS[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600420966 343967479 /nfs/dbraw/zinc/96/74/79/343967479.db2.gz MHPZDHRSZWYMMN-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600420966 343967480 /nfs/dbraw/zinc/96/74/80/343967480.db2.gz MHPZDHRSZWYMMN-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CSC1CC1 ZINC000600421403 343967925 /nfs/dbraw/zinc/96/79/25/343967925.db2.gz OFSJVUHKINZTEG-VIFPVBQESA-N 1 2 244.360 0.329 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CSC1CC1 ZINC000600421403 343967927 /nfs/dbraw/zinc/96/79/27/343967927.db2.gz OFSJVUHKINZTEG-VIFPVBQESA-N 1 2 244.360 0.329 20 0 BCADLO Cc1[nH]c(CN2CCC(C(N)=O)CC2)[nH+]c1C ZINC000628118928 343969518 /nfs/dbraw/zinc/96/95/18/343969518.db2.gz RAWIXMJBBHEAFH-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC1(C)COC1 ZINC000625786697 344073941 /nfs/dbraw/zinc/07/39/41/344073941.db2.gz KBASZDATVPAJTJ-UHFFFAOYSA-N 1 2 237.307 0.476 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC1(C)COC1 ZINC000625786697 344073944 /nfs/dbraw/zinc/07/39/44/344073944.db2.gz KBASZDATVPAJTJ-UHFFFAOYSA-N 1 2 237.307 0.476 20 0 BCADLO O[C@H]1C[NH+](Cc2cncc(Cl)c2)C[C@@H]1O ZINC000625713879 344051872 /nfs/dbraw/zinc/05/18/72/344051872.db2.gz ZGVCYYSIMAEEPR-UWVGGRQHSA-N 1 2 228.679 0.272 20 0 BCADLO CCO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000625742702 344061813 /nfs/dbraw/zinc/06/18/13/344061813.db2.gz PCLGQVFAPMCUMU-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO CCO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000625742702 344061815 /nfs/dbraw/zinc/06/18/15/344061815.db2.gz PCLGQVFAPMCUMU-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000641241720 362301635 /nfs/dbraw/zinc/30/16/35/362301635.db2.gz KYUUNNTWBHGZQJ-VIFPVBQESA-N 1 2 243.270 0.897 20 0 BCADLO Cc1cc(C(=O)NCCC(N)=O)c2[nH+]ccn2c1 ZINC000625778326 344072446 /nfs/dbraw/zinc/07/24/46/344072446.db2.gz MHBRRUJDINMYQO-UHFFFAOYSA-N 1 2 246.270 0.248 20 0 BCADLO NC(=O)[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641258672 362335781 /nfs/dbraw/zinc/33/57/81/362335781.db2.gz UDMMAAFQBLVIIF-JTQLQIEISA-N 1 2 235.287 0.276 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ncccn1 ZINC000624619103 344105381 /nfs/dbraw/zinc/10/53/81/344105381.db2.gz VIABXHCFCBVNRJ-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ncccn1 ZINC000624619103 344105384 /nfs/dbraw/zinc/10/53/84/344105384.db2.gz VIABXHCFCBVNRJ-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2nc[nH]c21 ZINC000624620162 344106293 /nfs/dbraw/zinc/10/62/93/344106293.db2.gz WOAKPLSAFUXPRO-QMMMGPOBSA-N 1 2 248.290 0.047 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2nc[nH]c21 ZINC000624620162 344106296 /nfs/dbraw/zinc/10/62/96/344106296.db2.gz WOAKPLSAFUXPRO-QMMMGPOBSA-N 1 2 248.290 0.047 20 0 BCADLO COc1cc(NC[C@H]2COCC[N@@H+]2C)ncn1 ZINC000624620812 344108150 /nfs/dbraw/zinc/10/81/50/344108150.db2.gz MVVDDLZWRDKXCO-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc(NC[C@H]2COCC[N@H+]2C)ncn1 ZINC000624620812 344108151 /nfs/dbraw/zinc/10/81/51/344108151.db2.gz MVVDDLZWRDKXCO-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO Cc1cncc(NC[C@H]2COCC[N@H+]2C)n1 ZINC000624620703 344108367 /nfs/dbraw/zinc/10/83/67/344108367.db2.gz JSTAXMVFQXDHAD-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000624620703 344108370 /nfs/dbraw/zinc/10/83/70/344108370.db2.gz JSTAXMVFQXDHAD-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ncccc1F ZINC000624620825 344108376 /nfs/dbraw/zinc/10/83/76/344108376.db2.gz NBKXVNZQQMBKJN-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ncccc1F ZINC000624620825 344108379 /nfs/dbraw/zinc/10/83/79/344108379.db2.gz NBKXVNZQQMBKJN-VIFPVBQESA-N 1 2 225.267 0.963 20 0 BCADLO CS(=O)(=O)CCCNc1cc[nH+]cc1F ZINC000641305149 362354637 /nfs/dbraw/zinc/35/46/37/362354637.db2.gz XOAPGHLMUCGGQL-UHFFFAOYSA-N 1 2 232.280 0.489 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734422 344115164 /nfs/dbraw/zinc/11/51/64/344115164.db2.gz FUELEDLJIFZYAF-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734422 344115166 /nfs/dbraw/zinc/11/51/66/344115166.db2.gz FUELEDLJIFZYAF-VIFPVBQESA-N 1 2 246.261 0.671 20 0 BCADLO CC(C)(C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641293115 362348754 /nfs/dbraw/zinc/34/87/54/362348754.db2.gz LXEQLWDGDBHYAI-UHFFFAOYSA-N 1 2 245.348 0.849 20 0 BCADLO CCn1cnnc1CNc1cc(CO)cc[nH+]1 ZINC000641296417 362349394 /nfs/dbraw/zinc/34/93/94/362349394.db2.gz VSRGQELBZKSNEW-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CC(C)(CNc1cc(CO)cc[nH+]1)C(N)=O ZINC000641298930 362350025 /nfs/dbraw/zinc/35/00/25/362350025.db2.gz PJXHQFYXPOZWFR-UHFFFAOYSA-N 1 2 223.276 0.497 20 0 BCADLO CCNC(=O)CN(C)c1cc[nH+]cc1F ZINC000641301584 362353556 /nfs/dbraw/zinc/35/35/56/362353556.db2.gz RXHRKVLBDGORMF-UHFFFAOYSA-N 1 2 211.240 0.793 20 0 BCADLO NC(=O)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641258673 362335506 /nfs/dbraw/zinc/33/55/06/362335506.db2.gz UDMMAAFQBLVIIF-SNVBAGLBSA-N 1 2 235.287 0.276 20 0 BCADLO CSC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000306358042 344127453 /nfs/dbraw/zinc/12/74/53/344127453.db2.gz XNQUGEUEUJFPDD-YFKPBYRVSA-N 1 2 213.310 0.926 20 0 BCADLO CSC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000306358042 344127455 /nfs/dbraw/zinc/12/74/55/344127455.db2.gz XNQUGEUEUJFPDD-YFKPBYRVSA-N 1 2 213.310 0.926 20 0 BCADLO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634737285 344134968 /nfs/dbraw/zinc/13/49/68/344134968.db2.gz NKYWDINWUBBBHW-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634737285 344134969 /nfs/dbraw/zinc/13/49/69/344134969.db2.gz NKYWDINWUBBBHW-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634737609 344135928 /nfs/dbraw/zinc/13/59/28/344135928.db2.gz VPKPVZLKCQKPSZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634737609 344135929 /nfs/dbraw/zinc/13/59/29/344135929.db2.gz VPKPVZLKCQKPSZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1c[nH]c(CN(C)CC(=O)N2CCCC2)[nH+]1 ZINC000628124763 344151899 /nfs/dbraw/zinc/15/18/99/344151899.db2.gz VHBYKXXCQGVRMQ-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn(CC2CC2)c1 ZINC000631413281 344153907 /nfs/dbraw/zinc/15/39/07/344153907.db2.gz FVNIAZLXVGJBQW-UHFFFAOYSA-N 1 2 245.286 0.946 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn(CC2CC2)c1 ZINC000631413281 344153910 /nfs/dbraw/zinc/15/39/10/344153910.db2.gz FVNIAZLXVGJBQW-UHFFFAOYSA-N 1 2 245.286 0.946 20 0 BCADLO CC(=O)N1CCCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628125563 344155227 /nfs/dbraw/zinc/15/52/27/344155227.db2.gz FQWLQWNDLKPQKL-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1nc2n(n1)C[C@@H](Nc1cc[nH+]cc1F)CC2 ZINC000641335754 362367860 /nfs/dbraw/zinc/36/78/60/362367860.db2.gz NWESFTWWTYTMQB-VIFPVBQESA-N 1 2 247.277 0.969 20 0 BCADLO c1snnc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746151 344179307 /nfs/dbraw/zinc/17/93/07/344179307.db2.gz IFIAOTAMSZBDCV-OCAPTIKFSA-N 1 2 211.290 0.616 20 0 BCADLO c1snnc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746151 344179310 /nfs/dbraw/zinc/17/93/10/344179310.db2.gz IFIAOTAMSZBDCV-OCAPTIKFSA-N 1 2 211.290 0.616 20 0 BCADLO Cc1nc(C[N@H+](CCO)C2CC2)[nH]c1C ZINC000628135090 344192811 /nfs/dbraw/zinc/19/28/11/344192811.db2.gz MGWOPZNUSBPXHA-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C2CC2)[nH]c1C ZINC000628135090 344192812 /nfs/dbraw/zinc/19/28/12/344192812.db2.gz MGWOPZNUSBPXHA-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]c(CN(CCO)C2CC2)[nH+]c1C ZINC000628135090 344192816 /nfs/dbraw/zinc/19/28/16/344192816.db2.gz MGWOPZNUSBPXHA-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C(F)F)CC1)NC1CC1 ZINC000634749752 344193184 /nfs/dbraw/zinc/19/31/84/344193184.db2.gz DQWWAWKROQNHOJ-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C(F)F)CC1)NC1CC1 ZINC000634749752 344193186 /nfs/dbraw/zinc/19/31/86/344193186.db2.gz DQWWAWKROQNHOJ-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000620549990 344245616 /nfs/dbraw/zinc/24/56/16/344245616.db2.gz RYDBLBWLKWUNMF-PWSUYJOCSA-N 1 2 237.303 0.646 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C2CC(O)C2)n1C ZINC000408214183 344249595 /nfs/dbraw/zinc/24/95/95/344249595.db2.gz HIHJLHDLDMOJHX-UHFFFAOYSA-N 1 2 238.335 0.894 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C2CC(O)C2)n1C ZINC000408214183 344249599 /nfs/dbraw/zinc/24/95/99/344249599.db2.gz HIHJLHDLDMOJHX-UHFFFAOYSA-N 1 2 238.335 0.894 20 0 BCADLO Cn1ccnc1CNc1cc(CO)cc[nH+]1 ZINC000641343550 362372915 /nfs/dbraw/zinc/37/29/15/362372915.db2.gz KKDQZFXQOWUHGU-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1ccnn1C ZINC000092011802 344287753 /nfs/dbraw/zinc/28/77/53/344287753.db2.gz WFOIATSZHISEHL-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccnn1C ZINC000092011802 344287755 /nfs/dbraw/zinc/28/77/55/344287755.db2.gz WFOIATSZHISEHL-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO Cc1cnn(CC(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000620594407 344329220 /nfs/dbraw/zinc/32/92/20/344329220.db2.gz ABIGGKNTZJMTPV-SNVBAGLBSA-N 1 2 247.302 0.802 20 0 BCADLO CCCC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000600613246 344336743 /nfs/dbraw/zinc/33/67/43/344336743.db2.gz WKQCRMRKCXLFKL-GUBZILKMSA-N 1 2 242.319 0.572 20 0 BCADLO NS(=O)(=O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641370939 362379881 /nfs/dbraw/zinc/37/98/81/362379881.db2.gz GVDKNYYSTDOVKR-ZETCQYMHSA-N 1 2 245.279 0.088 20 0 BCADLO C[C@H]1CCN(S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000247588239 344352687 /nfs/dbraw/zinc/35/26/87/344352687.db2.gz MIDPSTOTYPCLRY-VHSXEESVSA-N 1 2 243.332 0.726 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634775934 344300639 /nfs/dbraw/zinc/30/06/39/344300639.db2.gz CDEAYQMHXXUEJQ-AOOOYVTPSA-N 1 2 235.287 0.067 20 0 BCADLO O=C1CCC(=O)N1CCNc1cc(CO)cc[nH+]1 ZINC000641376493 362381241 /nfs/dbraw/zinc/38/12/41/362381241.db2.gz FKXKIEVWZVEUHE-UHFFFAOYSA-N 1 2 249.270 0.135 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(O)cc1 ZINC000168600643 537845445 /nfs/dbraw/zinc/84/54/45/537845445.db2.gz WVXBXGYECNYQKX-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(O)cc1 ZINC000168600643 537845453 /nfs/dbraw/zinc/84/54/53/537845453.db2.gz WVXBXGYECNYQKX-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC000389305269 344413312 /nfs/dbraw/zinc/41/33/12/344413312.db2.gz LZPDEXVXXDEKPY-BDAKNGLRSA-N 1 2 239.323 0.208 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncnn1C ZINC000389305270 344413327 /nfs/dbraw/zinc/41/33/27/344413327.db2.gz LZPDEXVXXDEKPY-DTWKUNHWSA-N 1 2 239.323 0.208 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)Cc1c[nH+]cn1C ZINC000584310102 344448441 /nfs/dbraw/zinc/44/84/41/344448441.db2.gz MUCCHQKOUPJMIB-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO c1cnn(CC[NH2+]Cc2csnn2)c1 ZINC000042539461 344458718 /nfs/dbraw/zinc/45/87/18/344458718.db2.gz WTKQNQMXSWXOMV-UHFFFAOYSA-N 1 2 209.278 0.524 20 0 BCADLO Cc1nc(N2C[C@H](O)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408292675 344466114 /nfs/dbraw/zinc/46/61/14/344466114.db2.gz UNBAJGQJOPSQGX-VXNVDRBHSA-N 1 2 237.307 0.206 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC000408292675 344466118 /nfs/dbraw/zinc/46/61/18/344466118.db2.gz UNBAJGQJOPSQGX-VXNVDRBHSA-N 1 2 237.307 0.206 20 0 BCADLO C[N@H+](CCOCCO)Cc1cscn1 ZINC000042867535 344469164 /nfs/dbraw/zinc/46/91/64/344469164.db2.gz CODXZYPBCFTIGO-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO C[N@@H+](CCOCCO)Cc1cscn1 ZINC000042867535 344469167 /nfs/dbraw/zinc/46/91/67/344469167.db2.gz CODXZYPBCFTIGO-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO Cc1nc(N2CCOC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408327186 344508289 /nfs/dbraw/zinc/50/82/89/344508289.db2.gz BOWMNKWKLBTLSH-MRVPVSSYSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCOC[C@H]2C)[nH+]1 ZINC000408327186 344508291 /nfs/dbraw/zinc/50/82/91/344508291.db2.gz BOWMNKWKLBTLSH-MRVPVSSYSA-N 1 2 237.307 0.471 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000622309435 344490476 /nfs/dbraw/zinc/49/04/76/344490476.db2.gz QSLFSJSHZSKQNT-NXEZZACHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H](C)C(N)=O)nc1 ZINC000678537094 488264769 /nfs/dbraw/zinc/26/47/69/488264769.db2.gz CNIHWYGTMHBYIG-SECBINFHSA-N 1 2 207.277 0.696 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000043627011 344528858 /nfs/dbraw/zinc/52/88/58/344528858.db2.gz UFOSCOAEGNVTLL-VGMNWLOBSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220524555 344544589 /nfs/dbraw/zinc/54/45/89/344544589.db2.gz IUJPLBUONZJVSF-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220524555 344544591 /nfs/dbraw/zinc/54/45/91/344544591.db2.gz IUJPLBUONZJVSF-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO O=C1NC[C@@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000641421814 362407087 /nfs/dbraw/zinc/40/70/87/362407087.db2.gz SDVWDPZSSUXFSN-MRVPVSSYSA-N 1 2 236.250 0.435 20 0 BCADLO C[C@@H](CCS(C)(=O)=O)Nc1cc[nH+]cc1F ZINC000641441076 362421407 /nfs/dbraw/zinc/42/14/07/362421407.db2.gz LDGNMMYFVIWMRP-QMMMGPOBSA-N 1 2 246.307 0.878 20 0 BCADLO C[C@H](CNc1cc[nH+]cc1F)S(C)(=O)=O ZINC000641459916 362432950 /nfs/dbraw/zinc/43/29/50/362432950.db2.gz FCHVZCPBPTXTQI-SSDOTTSWSA-N 1 2 232.280 0.488 20 0 BCADLO C[C@@H](CNc1cc[nH+]cc1F)S(C)(=O)=O ZINC000641459917 362433753 /nfs/dbraw/zinc/43/37/53/362433753.db2.gz FCHVZCPBPTXTQI-ZETCQYMHSA-N 1 2 232.280 0.488 20 0 BCADLO C[C@H](CNc1cc(CO)cc[nH+]1)S(C)(=O)=O ZINC000641461585 362435596 /nfs/dbraw/zinc/43/55/96/362435596.db2.gz WONHCYZNMRAYML-MRVPVSSYSA-N 1 2 244.316 0.419 20 0 BCADLO COC[C@@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000641468434 362436712 /nfs/dbraw/zinc/43/67/12/362436712.db2.gz BQRYGVGOGUKVGL-JTQLQIEISA-N 1 2 226.276 0.383 20 0 BCADLO CCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886555 344579670 /nfs/dbraw/zinc/57/96/70/344579670.db2.gz JZCIYYQWJSWMMP-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CO[C@]1(CNc2cc(CO)cc[nH+]2)CCOC1 ZINC000641490015 362457597 /nfs/dbraw/zinc/45/75/97/362457597.db2.gz CEFYMRKOVXZFSH-LBPRGKRZSA-N 1 2 238.287 0.791 20 0 BCADLO COc1nc(C(=O)NCc2[nH]c[nH+]c2C)co1 ZINC000625966508 344614595 /nfs/dbraw/zinc/61/45/95/344614595.db2.gz HDEVFVDCSLOXIU-UHFFFAOYSA-N 1 2 236.231 0.645 20 0 BCADLO COC1CC(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000625966629 344615226 /nfs/dbraw/zinc/61/52/26/344615226.db2.gz QODHINYYYQHMHO-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO OCc1cc[nH+]c(N2CC(F)(F)C[C@@H]2CO)c1 ZINC000641518533 362472555 /nfs/dbraw/zinc/47/25/55/362472555.db2.gz FZYVWPAKAVHYSE-SECBINFHSA-N 1 2 244.241 0.780 20 0 BCADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1ncnn1C ZINC000641549047 362491190 /nfs/dbraw/zinc/49/11/90/362491190.db2.gz RFGQPPGXQHPZGR-MRVPVSSYSA-N 1 2 233.275 0.876 20 0 BCADLO COC(=O)C[N@H+](CCn1cccn1)C(C)C ZINC000049573329 344653906 /nfs/dbraw/zinc/65/39/06/344653906.db2.gz QJNGKEUGQFBHBI-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO COC(=O)C[N@@H+](CCn1cccn1)C(C)C ZINC000049573329 344653907 /nfs/dbraw/zinc/65/39/07/344653907.db2.gz QJNGKEUGQFBHBI-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](CCF)C1)NC1CC1 ZINC000625998982 344661087 /nfs/dbraw/zinc/66/10/87/344661087.db2.gz DPUSDZZBKGXZBS-JTQLQIEISA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](CCF)C1)NC1CC1 ZINC000625998982 344661090 /nfs/dbraw/zinc/66/10/90/344661090.db2.gz DPUSDZZBKGXZBS-JTQLQIEISA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000172 344661720 /nfs/dbraw/zinc/66/17/20/344661720.db2.gz KPJNDSMBTJDXJY-KOLCDFICSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000172 344661721 /nfs/dbraw/zinc/66/17/21/344661721.db2.gz KPJNDSMBTJDXJY-KOLCDFICSA-N 1 2 244.310 0.714 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006163 344664549 /nfs/dbraw/zinc/66/45/49/344664549.db2.gz SCRTZQDRMPIHRC-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006163 344664550 /nfs/dbraw/zinc/66/45/50/344664550.db2.gz SCRTZQDRMPIHRC-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO FCC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000626005089 344666803 /nfs/dbraw/zinc/66/68/03/344666803.db2.gz VERSGYTVXZIRQA-SNVBAGLBSA-N 1 2 213.256 0.970 20 0 BCADLO FCC[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000626005089 344666804 /nfs/dbraw/zinc/66/68/04/344666804.db2.gz VERSGYTVXZIRQA-SNVBAGLBSA-N 1 2 213.256 0.970 20 0 BCADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(N)=O)C2 ZINC000626020953 344676734 /nfs/dbraw/zinc/67/67/34/344676734.db2.gz IKLKQFMUAMGNDQ-QMMMGPOBSA-N 1 2 220.272 0.885 20 0 BCADLO COc1cccc2c1C[N@H+]([C@@H](C)C(N)=O)C2 ZINC000626020953 344676735 /nfs/dbraw/zinc/67/67/35/344676735.db2.gz IKLKQFMUAMGNDQ-QMMMGPOBSA-N 1 2 220.272 0.885 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026007 344678344 /nfs/dbraw/zinc/67/83/44/344678344.db2.gz SDNXMCZOIMJOMN-MRVPVSSYSA-N 1 2 220.272 0.624 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCc2c(O)cccc2C1 ZINC000626026007 344678347 /nfs/dbraw/zinc/67/83/47/344678347.db2.gz SDNXMCZOIMJOMN-MRVPVSSYSA-N 1 2 220.272 0.624 20 0 BCADLO C[C@H](Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC000518783043 259378567 /nfs/dbraw/zinc/37/85/67/259378567.db2.gz WWIZFCDIFQGREP-SNVBAGLBSA-N 1 2 247.302 0.364 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026885 344679598 /nfs/dbraw/zinc/67/95/98/344679598.db2.gz CIQKQWQPAPCFGJ-NSHDSACASA-N 1 2 232.283 0.639 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCc2c(O)cccc2C1 ZINC000626026885 344679600 /nfs/dbraw/zinc/67/96/00/344679600.db2.gz CIQKQWQPAPCFGJ-NSHDSACASA-N 1 2 232.283 0.639 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)ccn1 ZINC000626075676 344722007 /nfs/dbraw/zinc/72/20/07/344722007.db2.gz PYCQCJNHNOTFDX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)ccn1 ZINC000626075676 344722009 /nfs/dbraw/zinc/72/20/09/344722009.db2.gz PYCQCJNHNOTFDX-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076433 344723380 /nfs/dbraw/zinc/72/33/80/344723380.db2.gz MGUACCMERSFWJK-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076433 344723381 /nfs/dbraw/zinc/72/33/81/344723381.db2.gz MGUACCMERSFWJK-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000153005725 344732179 /nfs/dbraw/zinc/73/21/79/344732179.db2.gz OTOBCFSSVSHWMW-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000153005725 344732181 /nfs/dbraw/zinc/73/21/81/344732181.db2.gz OTOBCFSSVSHWMW-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO CNC(=O)[C@@]1(C)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641547595 362495008 /nfs/dbraw/zinc/49/50/08/362495008.db2.gz CIRPADWQWZOWFD-ZDUSSCGKSA-N 1 2 249.314 0.536 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@H]2CO)o1 ZINC000049751960 344685814 /nfs/dbraw/zinc/68/58/14/344685814.db2.gz NMMBWUBOMZXQBD-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@H]2CO)o1 ZINC000049751960 344685816 /nfs/dbraw/zinc/68/58/16/344685816.db2.gz NMMBWUBOMZXQBD-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046535 344696934 /nfs/dbraw/zinc/69/69/34/344696934.db2.gz HZZMODSFMXUALU-PHIMTYICSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046535 344696936 /nfs/dbraw/zinc/69/69/36/344696936.db2.gz HZZMODSFMXUALU-PHIMTYICSA-N 1 2 238.335 0.891 20 0 BCADLO CCc1nc(C[NH2+]CCS(C)(=O)=O)cs1 ZINC000049949211 344703983 /nfs/dbraw/zinc/70/39/83/344703983.db2.gz PCZUKAQWYQXWIH-UHFFFAOYSA-N 1 2 248.373 0.840 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000603299044 349915256 /nfs/dbraw/zinc/91/52/56/349915256.db2.gz RSWAKZGYNYWJEW-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CCOC(=O)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000082290080 344716738 /nfs/dbraw/zinc/71/67/38/344716738.db2.gz AZAYMBYMCHWEFY-MRVPVSSYSA-N 1 2 239.275 0.551 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)CC)C1CC1 ZINC000050063785 344717649 /nfs/dbraw/zinc/71/76/49/344717649.db2.gz GAOZWEJLRXDGSN-JTQLQIEISA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)CC)C1CC1 ZINC000050063785 344717650 /nfs/dbraw/zinc/71/76/50/344717650.db2.gz GAOZWEJLRXDGSN-JTQLQIEISA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000050064149 344718200 /nfs/dbraw/zinc/71/82/00/344718200.db2.gz RNWLHZHLAUHSTQ-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC000050064149 344718201 /nfs/dbraw/zinc/71/82/01/344718201.db2.gz RNWLHZHLAUHSTQ-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CO ZINC000623037458 347074982 /nfs/dbraw/zinc/07/49/82/347074982.db2.gz NPCYVKDUKNJWDP-GHMZBOCLSA-N 1 2 237.303 0.360 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291331818 537860796 /nfs/dbraw/zinc/86/07/96/537860796.db2.gz VOZXVPYEPNPRQT-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000076833865 344806813 /nfs/dbraw/zinc/80/68/13/344806813.db2.gz WACDXWFWRXMXFL-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000076833865 344806815 /nfs/dbraw/zinc/80/68/15/344806815.db2.gz WACDXWFWRXMXFL-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000076833873 344806940 /nfs/dbraw/zinc/80/69/40/344806940.db2.gz WACDXWFWRXMXFL-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000076833873 344806942 /nfs/dbraw/zinc/80/69/42/344806942.db2.gz WACDXWFWRXMXFL-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]([N@H+](C)CC(=O)Nc1nn[nH]n1)C(C)(C)C ZINC000583367850 344836788 /nfs/dbraw/zinc/83/67/88/344836788.db2.gz KUEZVFPOZLVNDX-ZETCQYMHSA-N 1 2 240.311 0.505 20 0 BCADLO CNC(=O)[C@H]1CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628147915 344833052 /nfs/dbraw/zinc/83/30/52/344833052.db2.gz ADTMDBNIYXVGOX-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO CNC(=O)[C@H]1CCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628148414 344833558 /nfs/dbraw/zinc/83/35/58/344833558.db2.gz PAOHQYBSOJSLDF-SNVBAGLBSA-N 1 2 236.319 0.737 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000078332772 344847114 /nfs/dbraw/zinc/84/71/14/344847114.db2.gz OUJSIHKHRXWNBH-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000078332772 344847117 /nfs/dbraw/zinc/84/71/17/344847117.db2.gz OUJSIHKHRXWNBH-MNOVXSKESA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628163074 344861984 /nfs/dbraw/zinc/86/19/84/344861984.db2.gz ORMVKYSKJMZZCG-SNVBAGLBSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1[nH]c(CN2CCS(=O)(=O)CC2)[nH+]c1C ZINC000628163277 344863986 /nfs/dbraw/zinc/86/39/86/344863986.db2.gz WETQHFLPAALWQO-UHFFFAOYSA-N 1 2 243.332 0.257 20 0 BCADLO CC(C)(C)n1nnnc1C[NH+]1CCC(O)CC1 ZINC000408240456 344867181 /nfs/dbraw/zinc/86/71/81/344867181.db2.gz CZIZMFYWCVTVFZ-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000408240904 344869068 /nfs/dbraw/zinc/86/90/68/344869068.db2.gz QQITUMHCSSNVDM-ZDUSSCGKSA-N 1 2 246.314 0.892 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000408244372 344889082 /nfs/dbraw/zinc/88/90/82/344889082.db2.gz CSPJJDIXJMHDGS-NSHDSACASA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000408244372 344889084 /nfs/dbraw/zinc/88/90/84/344889084.db2.gz CSPJJDIXJMHDGS-NSHDSACASA-N 1 2 239.323 0.385 20 0 BCADLO Cn1nc2c(cc1=O)CN(c1cccc[nH+]1)CC2 ZINC000078614262 344890218 /nfs/dbraw/zinc/89/02/18/344890218.db2.gz YZPPJNAGGUSHSJ-UHFFFAOYSA-N 1 2 242.282 0.738 20 0 BCADLO Cc1c[nH]c(CN(C)CCN2CCCC2=O)[nH+]1 ZINC000628171311 344890784 /nfs/dbraw/zinc/89/07/84/344890784.db2.gz YSCDCRRQUXAQLW-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)CCN2CCCC2=O)n1 ZINC000628171311 344890786 /nfs/dbraw/zinc/89/07/86/344890786.db2.gz YSCDCRRQUXAQLW-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)CCN2CCCC2=O)n1 ZINC000628171311 344890788 /nfs/dbraw/zinc/89/07/88/344890788.db2.gz YSCDCRRQUXAQLW-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000153508295 344893588 /nfs/dbraw/zinc/89/35/88/344893588.db2.gz LXWVLTBNDWLLTP-LLVKDONJSA-N 1 2 223.276 0.990 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000153508295 344893589 /nfs/dbraw/zinc/89/35/89/344893589.db2.gz LXWVLTBNDWLLTP-LLVKDONJSA-N 1 2 223.276 0.990 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CCCO1 ZINC000078798885 344907020 /nfs/dbraw/zinc/90/70/20/344907020.db2.gz WMJMEVNVJTZMNA-JTQLQIEISA-N 1 2 237.303 0.948 20 0 BCADLO Cc1c[nH]c(CN2CCn3nc(C)nc3C2)[nH+]1 ZINC000628178001 344907048 /nfs/dbraw/zinc/90/70/48/344907048.db2.gz YUWGWQLVFGCWAP-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1cc(NC(=O)CN2CCCNC2=O)cc[nH+]1 ZINC000078939901 344922435 /nfs/dbraw/zinc/92/24/35/344922435.db2.gz JYPJWKQIWCHZDJ-UHFFFAOYSA-N 1 2 248.286 0.744 20 0 BCADLO Cc1[nH]c(CN(C)[C@H]2CCN(C)C2=O)[nH+]c1C ZINC000628181069 344919646 /nfs/dbraw/zinc/91/96/46/344919646.db2.gz PCUKHEXZVZQQNQ-JTQLQIEISA-N 1 2 236.319 0.689 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000628181201 344920158 /nfs/dbraw/zinc/92/01/58/344920158.db2.gz USUYPKMUGSPDKD-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000628181201 344920161 /nfs/dbraw/zinc/92/01/61/344920161.db2.gz USUYPKMUGSPDKD-JTQLQIEISA-N 1 2 223.276 0.646 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC1 ZINC000079312878 344954922 /nfs/dbraw/zinc/95/49/22/344954922.db2.gz REFOBVZFJJZDCX-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO Cc1cc[nH+]cc1N1CCN(C(=O)CO)CC1 ZINC000408261549 344966365 /nfs/dbraw/zinc/96/63/65/344966365.db2.gz QPHLEKQPAFTBMO-UHFFFAOYSA-N 1 2 235.287 0.031 20 0 BCADLO Cc1[nH]c(CN2C[C@H](CO)OC[C@H]2C)[nH+]c1C ZINC000628190268 344943616 /nfs/dbraw/zinc/94/36/16/344943616.db2.gz ACCFQOXDDSEMJI-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000628190566 344944475 /nfs/dbraw/zinc/94/44/75/344944475.db2.gz JYCWDAYJJWBUMG-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000628190566 344944476 /nfs/dbraw/zinc/94/44/76/344944476.db2.gz JYCWDAYJJWBUMG-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000628191708 344945714 /nfs/dbraw/zinc/94/57/14/344945714.db2.gz TWCZBNXGFBWDKC-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000628191708 344945715 /nfs/dbraw/zinc/94/57/15/344945715.db2.gz TWCZBNXGFBWDKC-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO COC[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000583432620 344948914 /nfs/dbraw/zinc/94/89/14/344948914.db2.gz DVNZYTMHIRRCGG-SECBINFHSA-N 1 2 225.292 0.361 20 0 BCADLO COC(=O)C[N@H+](CCC(=O)NC(C)C)C1CC1 ZINC000079500532 344981288 /nfs/dbraw/zinc/98/12/88/344981288.db2.gz BBKCGYCAGULJPI-UHFFFAOYSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)C[N@@H+](CCC(=O)NC(C)C)C1CC1 ZINC000079500532 344981292 /nfs/dbraw/zinc/98/12/92/344981292.db2.gz BBKCGYCAGULJPI-UHFFFAOYSA-N 1 2 242.319 0.539 20 0 BCADLO CCCS(=O)(=O)NCc1[nH+]ccn1CC ZINC000385559720 344993150 /nfs/dbraw/zinc/99/31/50/344993150.db2.gz YFYRCLQLLZUEPQ-UHFFFAOYSA-N 1 2 231.321 0.732 20 0 BCADLO Fc1c[nH+]ccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC000641559002 362504435 /nfs/dbraw/zinc/50/44/35/362504435.db2.gz VHKHPBIRIBBMAC-DTORHVGOSA-N 1 2 224.235 0.825 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2nnnn2C)C1 ZINC000408278265 345023364 /nfs/dbraw/zinc/02/33/64/345023364.db2.gz VJKODOWKZBBFOD-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408278265 345023366 /nfs/dbraw/zinc/02/33/66/345023366.db2.gz VJKODOWKZBBFOD-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCOC2(CCC2)C1 ZINC000154286561 345024039 /nfs/dbraw/zinc/02/40/39/345024039.db2.gz PHGIQKAPDLXJKT-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCOC2(CCC2)C1 ZINC000154286561 345024042 /nfs/dbraw/zinc/02/40/42/345024042.db2.gz PHGIQKAPDLXJKT-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CNC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000641564102 362508235 /nfs/dbraw/zinc/50/82/35/362508235.db2.gz VHFPJYBVBJJTSM-UHFFFAOYSA-N 1 2 235.278 0.893 20 0 BCADLO CCc1nnc(CNc2cc(CO)cc[nH+]2)[nH]1 ZINC000641611853 362546981 /nfs/dbraw/zinc/54/69/81/362546981.db2.gz AFTLQCNYQLJRQF-UHFFFAOYSA-N 1 2 233.275 0.867 20 0 BCADLO CCN1C[C@@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641619345 362550577 /nfs/dbraw/zinc/55/05/77/362550577.db2.gz FGUSKNZYNIKCEW-JTQLQIEISA-N 1 2 235.287 0.607 20 0 BCADLO NC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641623268 362554250 /nfs/dbraw/zinc/55/42/50/362554250.db2.gz ISFGVJPUQAEJKW-SFYZADRCSA-N 1 2 223.251 0.709 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)C2CC2)CC1(C)C ZINC000641593343 362536010 /nfs/dbraw/zinc/53/60/10/362536010.db2.gz XIOPJZVNFGSEBT-UHFFFAOYSA-N 1 2 232.349 0.505 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)C2CC2)CC1(C)C ZINC000641593343 362536015 /nfs/dbraw/zinc/53/60/15/362536015.db2.gz XIOPJZVNFGSEBT-UHFFFAOYSA-N 1 2 232.349 0.505 20 0 BCADLO NC(=O)C[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641598155 362538491 /nfs/dbraw/zinc/53/84/91/362538491.db2.gz KCIHVSXIKLWSGO-QMMMGPOBSA-N 1 2 223.251 0.922 20 0 BCADLO OCc1cc[nH+]c(NC2COCCOC2)c1 ZINC000641606315 362543365 /nfs/dbraw/zinc/54/33/65/362543365.db2.gz JMVNNGLBACOCOF-UHFFFAOYSA-N 1 2 224.260 0.401 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641639577 362567711 /nfs/dbraw/zinc/56/77/11/362567711.db2.gz JELDGNORXJWMIG-MRVPVSSYSA-N 1 2 223.251 0.793 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155954335 345116221 /nfs/dbraw/zinc/11/62/21/345116221.db2.gz GSHXSOROLVRKIB-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO C[C@H](O)[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641637431 362568868 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/nfs/dbraw/zinc/90/61/38/345906138.db2.gz RTUOMILANFQBLH-UHFFFAOYSA-N 1 2 225.292 0.402 20 0 BCADLO CC1(C)CN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000279064292 345932182 /nfs/dbraw/zinc/93/21/82/345932182.db2.gz JCHLCMPIIDVRHO-ZCFIWIBFSA-N 1 2 242.710 0.919 20 0 BCADLO CC1(C)CN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000279064292 345932185 /nfs/dbraw/zinc/93/21/85/345932185.db2.gz JCHLCMPIIDVRHO-ZCFIWIBFSA-N 1 2 242.710 0.919 20 0 BCADLO COC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184116910 345940014 /nfs/dbraw/zinc/94/00/14/345940014.db2.gz HSLSXEZZNUYKMA-UHFFFAOYSA-N 1 2 243.303 0.288 20 0 BCADLO COC(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184116910 345940017 /nfs/dbraw/zinc/94/00/17/345940017.db2.gz HSLSXEZZNUYKMA-UHFFFAOYSA-N 1 2 243.303 0.288 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](O)C(C)C)[nH+]1 ZINC000635692941 345977978 /nfs/dbraw/zinc/97/79/78/345977978.db2.gz GQFJMIJCYOCCPW-JTQLQIEISA-N 1 2 239.319 0.648 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635693393 345978525 /nfs/dbraw/zinc/97/85/25/345978525.db2.gz ZQZNMNQPQWFZDJ-DJLDLDEBSA-N 1 2 223.276 0.258 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635693393 345978530 /nfs/dbraw/zinc/97/85/30/345978530.db2.gz ZQZNMNQPQWFZDJ-DJLDLDEBSA-N 1 2 223.276 0.258 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CCO)[nH+]1 ZINC000635693842 345978743 /nfs/dbraw/zinc/97/87/43/345978743.db2.gz CWIADHDZOJDUTO-QMMMGPOBSA-N 1 2 225.292 0.402 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](C)CO)[nH+]1 ZINC000635691945 345980343 /nfs/dbraw/zinc/98/03/43/345980343.db2.gz KPKDZUSIASKDBH-QMMMGPOBSA-N 1 2 225.292 0.259 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](C)CCO)[nH+]1 ZINC000635692501 345980516 /nfs/dbraw/zinc/98/05/16/345980516.db2.gz OSDACMRIAOXYAA-SECBINFHSA-N 1 2 239.319 0.649 20 0 BCADLO CCC[C@@H](O)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635695870 345982894 /nfs/dbraw/zinc/98/28/94/345982894.db2.gz SQUCZXKDWSPBLA-SNVBAGLBSA-N 1 2 239.319 0.792 20 0 BCADLO CSCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000123089329 323101526 /nfs/dbraw/zinc/10/15/26/323101526.db2.gz VYIUKNGSSAOOBJ-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000635698576 345984069 /nfs/dbraw/zinc/98/40/69/345984069.db2.gz MGXDEJNWMRKLLP-GXSJLCMTSA-N 1 2 249.314 0.568 20 0 BCADLO Cc1ccnc(-n2c[nH+]c(CCCO)c2)n1 ZINC000605570320 345966978 /nfs/dbraw/zinc/96/69/78/345966978.db2.gz FEXCPGIPCOZLCP-UHFFFAOYSA-N 1 2 218.260 0.896 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC(=O)C2CC2)[nH+]1 ZINC000635760456 346053144 /nfs/dbraw/zinc/05/31/44/346053144.db2.gz RQBCZOCIGIVIPI-UHFFFAOYSA-N 1 2 235.287 0.610 20 0 BCADLO CC(C)(CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635716644 346026926 /nfs/dbraw/zinc/02/69/26/346026926.db2.gz VCVKYMMHOCDMCC-RKDXNWHRSA-N 1 2 237.303 0.648 20 0 BCADLO CC(C)(CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635716644 346026927 /nfs/dbraw/zinc/02/69/27/346026927.db2.gz VCVKYMMHOCDMCC-RKDXNWHRSA-N 1 2 237.303 0.648 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635735436 346044221 /nfs/dbraw/zinc/04/42/21/346044221.db2.gz JLQADVAAHLBNEG-KBVBSXBZSA-N 1 2 235.287 0.808 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635735436 346044222 /nfs/dbraw/zinc/04/42/22/346044222.db2.gz JLQADVAAHLBNEG-KBVBSXBZSA-N 1 2 235.287 0.808 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCCO)C1CC1 ZINC000635746133 346046708 /nfs/dbraw/zinc/04/67/08/346046708.db2.gz BGNGXJDXCWSJLT-GHMZBOCLSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCCO)C1CC1 ZINC000635746133 346046711 /nfs/dbraw/zinc/04/67/11/346046711.db2.gz BGNGXJDXCWSJLT-GHMZBOCLSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1CCO ZINC000635822626 346077978 /nfs/dbraw/zinc/07/79/78/346077978.db2.gz ZPULCXWYAVQYIL-GMTAPVOTSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1CCO ZINC000635822626 346077980 /nfs/dbraw/zinc/07/79/80/346077980.db2.gz ZPULCXWYAVQYIL-GMTAPVOTSA-N 1 2 249.314 0.887 20 0 BCADLO CC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635824297 346078660 /nfs/dbraw/zinc/07/86/60/346078660.db2.gz HHMMTAJAYLHZIK-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO CC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635824297 346078662 /nfs/dbraw/zinc/07/86/62/346078662.db2.gz HHMMTAJAYLHZIK-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1CO ZINC000635839217 346082844 /nfs/dbraw/zinc/08/28/44/346082844.db2.gz ZPNNGPBGLRGIMH-DNRKLUKYSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CO ZINC000635839217 346082846 /nfs/dbraw/zinc/08/28/46/346082846.db2.gz ZPNNGPBGLRGIMH-DNRKLUKYSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CO ZINC000635839215 346082877 /nfs/dbraw/zinc/08/28/77/346082877.db2.gz ZPNNGPBGLRGIMH-BFLSOPEQSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CO ZINC000635839215 346082878 /nfs/dbraw/zinc/08/28/78/346082878.db2.gz ZPNNGPBGLRGIMH-BFLSOPEQSA-N 1 2 249.314 0.743 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000188340876 537942560 /nfs/dbraw/zinc/94/25/60/537942560.db2.gz GGCSEDBODQAMGY-ZYHUDNBSSA-N 1 2 237.303 0.712 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000188340876 537942566 /nfs/dbraw/zinc/94/25/66/537942566.db2.gz GGCSEDBODQAMGY-ZYHUDNBSSA-N 1 2 237.303 0.712 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@H](O)C[C@@H]2C)[nH+]1 ZINC000635852095 346090753 /nfs/dbraw/zinc/09/07/53/346090753.db2.gz IJSSQMFYWFNWRV-WCBMZHEXSA-N 1 2 237.303 0.496 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635882357 346100961 /nfs/dbraw/zinc/10/09/61/346100961.db2.gz WXVNCZAQOUIKKL-CDDJKKQXSA-N 1 2 233.271 0.274 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635882357 346100964 /nfs/dbraw/zinc/10/09/64/346100964.db2.gz WXVNCZAQOUIKKL-CDDJKKQXSA-N 1 2 233.271 0.274 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1coc(CO)c1 ZINC000635985173 346138981 /nfs/dbraw/zinc/13/89/81/346138981.db2.gz WQACLGNDKOVLDW-UHFFFAOYSA-N 1 2 249.270 0.918 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635935278 346114274 /nfs/dbraw/zinc/11/42/74/346114274.db2.gz WBVBFEZEOFSEDU-BWZBUEFSSA-N 1 2 211.240 0.987 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635935278 346114276 /nfs/dbraw/zinc/11/42/76/346114276.db2.gz WBVBFEZEOFSEDU-BWZBUEFSSA-N 1 2 211.240 0.987 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000626159906 346123730 /nfs/dbraw/zinc/12/37/30/346123730.db2.gz WYVSHINVWKCUMB-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000626159906 346123734 /nfs/dbraw/zinc/12/37/34/346123734.db2.gz WYVSHINVWKCUMB-GFCCVEGCSA-N 1 2 236.319 0.900 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635975012 346129860 /nfs/dbraw/zinc/12/98/60/346129860.db2.gz KFPWWZAZSZGTHU-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635975012 346129863 /nfs/dbraw/zinc/12/98/63/346129863.db2.gz KFPWWZAZSZGTHU-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)nn1C ZINC000635956107 346131604 /nfs/dbraw/zinc/13/16/04/346131604.db2.gz OSTBKILGUPBCFJ-VIFPVBQESA-N 1 2 237.307 0.546 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)nn1C ZINC000635956107 346131606 /nfs/dbraw/zinc/13/16/06/346131606.db2.gz OSTBKILGUPBCFJ-VIFPVBQESA-N 1 2 237.307 0.546 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC2CSC2)[nH+]1 ZINC000636002218 346151116 /nfs/dbraw/zinc/15/11/16/346151116.db2.gz OBXITAWSWFUCNF-UHFFFAOYSA-N 1 2 239.344 0.994 20 0 BCADLO Cc1ncc(CN[C@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC000628228952 346177775 /nfs/dbraw/zinc/17/77/75/346177775.db2.gz FOCJWQDQYXYGGB-BXKDBHETSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncc(CN[C@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000628228952 346177778 /nfs/dbraw/zinc/17/77/78/346177778.db2.gz FOCJWQDQYXYGGB-BXKDBHETSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1c[nH]c(C[NH2+]C(C)(C)CS(C)(=O)=O)n1 ZINC000628239370 346199635 /nfs/dbraw/zinc/19/96/35/346199635.db2.gz NJNNDDGKHCQBAV-UHFFFAOYSA-N 1 2 245.348 0.631 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)o1 ZINC000628240184 346200617 /nfs/dbraw/zinc/20/06/17/346200617.db2.gz TWTUAYNGUAWWTQ-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@]3(CCOC3)C2)o1 ZINC000628240184 346200621 /nfs/dbraw/zinc/20/06/21/346200621.db2.gz TWTUAYNGUAWWTQ-LBPRGKRZSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000628239935 346201184 /nfs/dbraw/zinc/20/11/84/346201184.db2.gz KPCANFGABDRGPU-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO CCC(=O)NC[C@H]1CN(C(=O)CC)CC[N@@H+]1C ZINC000563286289 323108662 /nfs/dbraw/zinc/10/86/62/323108662.db2.gz PTCBTUPQSFQSAP-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCC(=O)NC[C@H]1CN(C(=O)CC)CC[N@H+]1C ZINC000563286289 323108663 /nfs/dbraw/zinc/10/86/63/323108663.db2.gz PTCBTUPQSFQSAP-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3CCOC[C@@H]3C2)o1 ZINC000628238425 346194914 /nfs/dbraw/zinc/19/49/14/346194914.db2.gz YGZDPLJZZBOJPC-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3CCOC[C@@H]3C2)o1 ZINC000628238425 346194918 /nfs/dbraw/zinc/19/49/18/346194918.db2.gz YGZDPLJZZBOJPC-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628250501 346217157 /nfs/dbraw/zinc/21/71/57/346217157.db2.gz SPYXBNGHLYZNOV-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628250501 346217158 /nfs/dbraw/zinc/21/71/58/346217158.db2.gz SPYXBNGHLYZNOV-UHFFFAOYSA-N 1 2 223.276 0.859 20 0 BCADLO Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000031945999 179009428 /nfs/dbraw/zinc/00/94/28/179009428.db2.gz XHSGEWHWGDQGLV-UHFFFAOYSA-N 1 2 248.326 0.745 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000631155666 346253520 /nfs/dbraw/zinc/25/35/20/346253520.db2.gz QRPVKJIZIIGJDN-VIFPVBQESA-N 1 2 238.291 0.283 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[C@@H]1O ZINC000380219610 346254964 /nfs/dbraw/zinc/25/49/64/346254964.db2.gz LTSINIVAUBPUEK-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO Cc1[nH]c(CN2CC(N3CCNC3=O)C2)[nH+]c1C ZINC000628275773 346284357 /nfs/dbraw/zinc/28/43/57/346284357.db2.gz CAWVIUAHENIQOD-UHFFFAOYSA-N 1 2 249.318 0.236 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC000628262946 346262553 /nfs/dbraw/zinc/26/25/53/346262553.db2.gz FIIRTQMVLQUCGZ-VIFPVBQESA-N 1 2 243.332 0.337 20 0 BCADLO Cc1[nH]c(CN(C)CCOCCO)[nH+]c1C ZINC000628264320 346263668 /nfs/dbraw/zinc/26/36/68/346263668.db2.gz JBVCZMRHCLGKHW-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO Cc1nc(C[N@H+](C)CCOCCO)[nH]c1C ZINC000628264320 346263670 /nfs/dbraw/zinc/26/36/70/346263670.db2.gz JBVCZMRHCLGKHW-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO Cc1nc(C[N@@H+](C)CCOCCO)[nH]c1C ZINC000628264320 346263671 /nfs/dbraw/zinc/26/36/71/346263671.db2.gz JBVCZMRHCLGKHW-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000628264702 346264645 /nfs/dbraw/zinc/26/46/45/346264645.db2.gz YQENXSFLOPCIJY-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000628264702 346264648 /nfs/dbraw/zinc/26/46/48/346264648.db2.gz YQENXSFLOPCIJY-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)C[C@@H]2C)[nH+]1 ZINC000628280994 346292263 /nfs/dbraw/zinc/29/22/63/346292263.db2.gz UIHZRNWLOOMJHX-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)NC1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628281118 346292903 /nfs/dbraw/zinc/29/29/03/346292903.db2.gz BTLIXTXDLUSVCW-UHFFFAOYSA-N 1 2 208.265 0.038 20 0 BCADLO COCC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000631333517 346288373 /nfs/dbraw/zinc/28/83/73/346288373.db2.gz HIVUGUWESWBOOY-UHFFFAOYSA-N 1 2 233.275 0.446 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)C[C@@H]2C)[nH+]c1C ZINC000628280717 346291938 /nfs/dbraw/zinc/29/19/38/346291938.db2.gz DEIDUXFKFQKSHJ-QMMMGPOBSA-N 1 2 236.319 0.737 20 0 BCADLO COc1nccnc1CNc1cc(CO)cc[nH+]1 ZINC000641762442 362692624 /nfs/dbraw/zinc/69/26/24/362692624.db2.gz NQXNJHCRHGRALY-UHFFFAOYSA-N 1 2 246.270 0.985 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636110660 346322826 /nfs/dbraw/zinc/32/28/26/346322826.db2.gz MWKVKRSSFWMFNK-SGIHWFKDSA-N 1 2 235.287 0.807 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636110660 346322828 /nfs/dbraw/zinc/32/28/28/346322828.db2.gz MWKVKRSSFWMFNK-SGIHWFKDSA-N 1 2 235.287 0.807 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636113557 346324093 /nfs/dbraw/zinc/32/40/93/346324093.db2.gz ZHWNERJYOPICSO-IWSPIJDZSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636113557 346324097 /nfs/dbraw/zinc/32/40/97/346324097.db2.gz ZHWNERJYOPICSO-IWSPIJDZSA-N 1 2 248.286 0.160 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC000636199901 346351995 /nfs/dbraw/zinc/35/19/95/346351995.db2.gz JMXKNTWBBXVFKZ-TVQRCGJNSA-N 1 2 249.314 0.498 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000052635234 346354233 /nfs/dbraw/zinc/35/42/33/346354233.db2.gz WGKNVIJQSCXQKV-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000636167994 346342329 /nfs/dbraw/zinc/34/23/29/346342329.db2.gz KWUBKCTZLUDGJP-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CCc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000636167994 346342331 /nfs/dbraw/zinc/34/23/31/346342331.db2.gz KWUBKCTZLUDGJP-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000636167923 346342443 /nfs/dbraw/zinc/34/24/43/346342443.db2.gz JOOZHXBOXRWZLW-OTSSQURYSA-N 1 2 209.249 0.139 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000636167923 346342445 /nfs/dbraw/zinc/34/24/45/346342445.db2.gz JOOZHXBOXRWZLW-OTSSQURYSA-N 1 2 209.249 0.139 20 0 BCADLO CCOC(=O)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000309960314 323122483 /nfs/dbraw/zinc/12/24/83/323122483.db2.gz KTKXLZXCIBKCBI-ZETCQYMHSA-N 1 2 227.264 0.982 20 0 BCADLO CC(C)C[C@H](C(=O)NC1COC1)n1cc[nH+]c1 ZINC000636314593 346390414 /nfs/dbraw/zinc/39/04/14/346390414.db2.gz LLLKMGBKVHUGDG-LLVKDONJSA-N 1 2 237.303 0.985 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC3(CCO3)CC2)[nH]1 ZINC000563400286 323122984 /nfs/dbraw/zinc/12/29/84/323122984.db2.gz XQDDEAKXSBCVQQ-UHFFFAOYSA-N 1 2 224.264 0.265 20 0 BCADLO CC(C)OC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000636325627 346395854 /nfs/dbraw/zinc/39/58/54/346395854.db2.gz DKJQPARNMPYKSR-UHFFFAOYSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000332803721 346445717 /nfs/dbraw/zinc/44/57/17/346445717.db2.gz BQLDVENCHBBWMD-MFKMUULPSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCCOC2)C1 ZINC000332797008 346442696 /nfs/dbraw/zinc/44/26/96/346442696.db2.gz LDVNETFEEHQCDW-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCCOC2)C1 ZINC000332797008 346442698 /nfs/dbraw/zinc/44/26/98/346442698.db2.gz LDVNETFEEHQCDW-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@H](C[N@@H+]1CC[S@@](=O)[C@H](C)C1)OC ZINC000419204788 192103545 /nfs/dbraw/zinc/10/35/45/192103545.db2.gz JKEDDNQBFBOUCA-GPCCPHFNSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@H](C[N@H+]1CC[S@@](=O)[C@H](C)C1)OC ZINC000419204788 192103546 /nfs/dbraw/zinc/10/35/46/192103546.db2.gz JKEDDNQBFBOUCA-GPCCPHFNSA-N 1 2 219.350 0.864 20 0 BCADLO C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1c[nH+]cn1C ZINC000186596920 346524443 /nfs/dbraw/zinc/52/44/43/346524443.db2.gz MNZWTMNBIRAZOD-YWVKMMECSA-N 1 2 234.303 0.649 20 0 BCADLO CNC(=O)CSCc1ccc[nH+]c1N ZINC000300763315 346489559 /nfs/dbraw/zinc/48/95/59/346489559.db2.gz BCKNNLYJFVUWSD-UHFFFAOYSA-N 1 2 211.290 0.643 20 0 BCADLO C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1F ZINC000679227073 488322467 /nfs/dbraw/zinc/32/24/67/488322467.db2.gz WWELWCCZPFWOPU-DTWKUNHWSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1F ZINC000679227073 488322468 /nfs/dbraw/zinc/32/24/68/488322468.db2.gz WWELWCCZPFWOPU-DTWKUNHWSA-N 1 2 238.328 0.216 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000623015167 346540715 /nfs/dbraw/zinc/54/07/15/346540715.db2.gz JSIKGKVFCQIOII-JTQLQIEISA-N 1 2 235.287 0.498 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000623015167 346540716 /nfs/dbraw/zinc/54/07/16/346540716.db2.gz JSIKGKVFCQIOII-JTQLQIEISA-N 1 2 235.287 0.498 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cncn2C)[C@H](C(N)=O)C1 ZINC000187402700 346573263 /nfs/dbraw/zinc/57/32/63/346573263.db2.gz WXWWDAQEJOLPGV-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cncn2C)[C@H](C(N)=O)C1 ZINC000187402700 346573266 /nfs/dbraw/zinc/57/32/66/346573266.db2.gz WXWWDAQEJOLPGV-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO OCC(CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000381845200 346578568 /nfs/dbraw/zinc/57/85/68/346578568.db2.gz RLEXOEVIPXBBJS-UHFFFAOYSA-N 1 2 221.260 0.006 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636454297 346582196 /nfs/dbraw/zinc/58/21/96/346582196.db2.gz ACWYORGTXBEPIK-RKDXNWHRSA-N 1 2 238.291 0.142 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636454294 346582218 /nfs/dbraw/zinc/58/22/18/346582218.db2.gz ACWYORGTXBEPIK-BDAKNGLRSA-N 1 2 238.291 0.142 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000164047231 346588098 /nfs/dbraw/zinc/58/80/98/346588098.db2.gz LPQWRQVNVRVLAA-MRVPVSSYSA-N 1 2 231.292 0.727 20 0 BCADLO Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000051666459 179127804 /nfs/dbraw/zinc/12/78/04/179127804.db2.gz LHLONRHPWSUUCD-UHFFFAOYSA-N 1 2 247.298 0.365 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1[nH+]ccn1C ZINC000588235656 346648968 /nfs/dbraw/zinc/64/89/68/346648968.db2.gz WCEBTVKDVPQOAE-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000203581624 346640245 /nfs/dbraw/zinc/64/02/45/346640245.db2.gz NTQINIZOEDYMBM-SECBINFHSA-N 1 2 223.276 0.757 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CO[C@@H](C)C1 ZINC000401444416 346711632 /nfs/dbraw/zinc/71/16/32/346711632.db2.gz WZGVQNNFJQTEBE-NKWVEPMBSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CO[C@@H](C)C1 ZINC000401444416 346711634 /nfs/dbraw/zinc/71/16/34/346711634.db2.gz WZGVQNNFJQTEBE-NKWVEPMBSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CO[C@H](C)C1 ZINC000401444418 346711716 /nfs/dbraw/zinc/71/17/16/346711716.db2.gz WZGVQNNFJQTEBE-RQJHMYQMSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CO[C@H](C)C1 ZINC000401444418 346711717 /nfs/dbraw/zinc/71/17/17/346711717.db2.gz WZGVQNNFJQTEBE-RQJHMYQMSA-N 1 2 224.264 0.657 20 0 BCADLO C[C@@H](CC(=O)NCc1cncn1C)n1cc[nH+]c1 ZINC000580648131 365843394 /nfs/dbraw/zinc/84/33/94/365843394.db2.gz BXGHFXRZLJTLHA-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(N)=O)[nH+]1 ZINC000369512233 179146654 /nfs/dbraw/zinc/14/66/54/179146654.db2.gz RENKKJIFJVZLMM-NSHDSACASA-N 1 2 248.330 0.752 20 0 BCADLO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(N)=O)[nH+]1 ZINC000369512233 179146655 /nfs/dbraw/zinc/14/66/55/179146655.db2.gz RENKKJIFJVZLMM-NSHDSACASA-N 1 2 248.330 0.752 20 0 BCADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCO ZINC000301873215 187371352 /nfs/dbraw/zinc/37/13/52/187371352.db2.gz HVIOFAORNWHAJN-UHFFFAOYSA-N 1 2 235.291 0.986 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)n1 ZINC000181528426 346755951 /nfs/dbraw/zinc/75/59/51/346755951.db2.gz AGIOGCVGOVKBIJ-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CCC[C@H](O)C2)n1 ZINC000181528426 346755954 /nfs/dbraw/zinc/75/59/54/346755954.db2.gz AGIOGCVGOVKBIJ-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H](OC)C1 ZINC000193332354 259394093 /nfs/dbraw/zinc/39/40/93/259394093.db2.gz NXEVAWZAYFFPCX-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H](OC)C1 ZINC000193332354 259394096 /nfs/dbraw/zinc/39/40/96/259394096.db2.gz NXEVAWZAYFFPCX-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@H]([NH2+]C1CN(C(C)=O)C1)c1nccn1C ZINC000571105709 323135643 /nfs/dbraw/zinc/13/56/43/323135643.db2.gz MQBXQSBESYIGLO-LLVKDONJSA-N 1 2 236.319 0.692 20 0 BCADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1ccn(C)n1 ZINC000580326810 347134968 /nfs/dbraw/zinc/13/49/68/347134968.db2.gz NYHMXSPMYHJLDB-UHFFFAOYSA-N 1 2 236.319 0.725 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388032785 347160226 /nfs/dbraw/zinc/16/02/26/347160226.db2.gz LFIBSEAKNRWKQC-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388032785 347160227 /nfs/dbraw/zinc/16/02/27/347160227.db2.gz LFIBSEAKNRWKQC-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO CC[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000618398604 347126126 /nfs/dbraw/zinc/12/61/26/347126126.db2.gz NPKGOGRYALWHHU-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO Cc1oncc1C[N@@H+](CC(N)=O)C(C)C ZINC000185160641 347192507 /nfs/dbraw/zinc/19/25/07/347192507.db2.gz SMWAIEXITBFQKV-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1oncc1C[N@H+](CC(N)=O)C(C)C ZINC000185160641 347192509 /nfs/dbraw/zinc/19/25/09/347192509.db2.gz SMWAIEXITBFQKV-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000354207082 187374081 /nfs/dbraw/zinc/37/40/81/187374081.db2.gz DRKGLDCFWGUIFM-OTDNITJGSA-N 1 2 237.303 0.717 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000388175227 347223667 /nfs/dbraw/zinc/22/36/67/347223667.db2.gz KUGUMJVKPRJVLC-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000388175227 347223670 /nfs/dbraw/zinc/22/36/70/347223670.db2.gz KUGUMJVKPRJVLC-MRVPVSSYSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@](O)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627372466 347234597 /nfs/dbraw/zinc/23/45/97/347234597.db2.gz MSLYHBZTYHUINN-LBPRGKRZSA-N 1 2 235.287 0.455 20 0 BCADLO C[C@@](O)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627372466 347234599 /nfs/dbraw/zinc/23/45/99/347234599.db2.gz MSLYHBZTYHUINN-LBPRGKRZSA-N 1 2 235.287 0.455 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186550214 347236649 /nfs/dbraw/zinc/23/66/49/347236649.db2.gz RATVZNLIPWZGKJ-UWVGGRQHSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186550214 347236652 /nfs/dbraw/zinc/23/66/52/347236652.db2.gz RATVZNLIPWZGKJ-UWVGGRQHSA-N 1 2 242.344 0.633 20 0 BCADLO COC[C@](C)(O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000419212354 192104897 /nfs/dbraw/zinc/10/48/97/192104897.db2.gz ZTOZTXXOVLHPFU-ZYHUDNBSSA-N 1 2 245.319 0.315 20 0 BCADLO CCOCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000590473507 347299136 /nfs/dbraw/zinc/29/91/36/347299136.db2.gz SBJBVODFIXFJNU-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000590473507 347299137 /nfs/dbraw/zinc/29/91/37/347299137.db2.gz SBJBVODFIXFJNU-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CO[C@H](CC(C)C)C[N@@H+]1CCNC(=O)C1 ZINC000419211083 192105350 /nfs/dbraw/zinc/10/53/50/192105350.db2.gz YVASBKPUABPGIK-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO CO[C@H](CC(C)C)C[N@H+]1CCNC(=O)C1 ZINC000419211083 192105352 /nfs/dbraw/zinc/10/53/52/192105352.db2.gz YVASBKPUABPGIK-SNVBAGLBSA-N 1 2 214.309 0.479 20 0 BCADLO C[C@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000190537276 347332136 /nfs/dbraw/zinc/33/21/36/347332136.db2.gz VYMWIOCSPIGWBL-UWVGGRQHSA-N 1 2 217.334 0.618 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccc[nH]2)c[nH+]1 ZINC000082268138 347320740 /nfs/dbraw/zinc/32/07/40/347320740.db2.gz LKPALFVEGZTJPF-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO CCN1CCC[N@H+](Cc2ccnn2C)CC1=O ZINC000190170651 347322283 /nfs/dbraw/zinc/32/22/83/347322283.db2.gz HMNMZOXNVGBRSR-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccnn2C)CC1=O ZINC000190170651 347322286 /nfs/dbraw/zinc/32/22/86/347322286.db2.gz HMNMZOXNVGBRSR-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO COCC(COC)Nc1cc(C)[nH+]cn1 ZINC000388393135 347381924 /nfs/dbraw/zinc/38/19/24/347381924.db2.gz DTQUASPOFKTMSW-UHFFFAOYSA-N 1 2 211.265 0.858 20 0 BCADLO COC[C@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922081 347452763 /nfs/dbraw/zinc/45/27/63/347452763.db2.gz OPOLBGATHKTLGQ-VIFPVBQESA-N 1 2 227.264 0.030 20 0 BCADLO COC[C@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922081 347452765 /nfs/dbraw/zinc/45/27/65/347452765.db2.gz OPOLBGATHKTLGQ-VIFPVBQESA-N 1 2 227.264 0.030 20 0 BCADLO CN(C)c1nc(N)nc(C[NH+]2CCCCC2)n1 ZINC000014139764 362836238 /nfs/dbraw/zinc/83/62/38/362836238.db2.gz RLZUNXMIDICUFS-UHFFFAOYSA-N 1 2 236.323 0.506 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)on1 ZINC000616922686 347453968 /nfs/dbraw/zinc/45/39/68/347453968.db2.gz FGYNXASLUOUFNW-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)on1 ZINC000616922686 347453972 /nfs/dbraw/zinc/45/39/72/347453972.db2.gz FGYNXASLUOUFNW-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO Cc1cccc2[nH+]cc(CN=c3nc[nH]n3C)n21 ZINC000341972081 179231469 /nfs/dbraw/zinc/23/14/69/179231469.db2.gz RAIDLOXCBKZSTJ-UHFFFAOYSA-N 1 2 242.286 0.805 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@@H](C)C2)[nH+]1 ZINC000628299273 347419248 /nfs/dbraw/zinc/41/92/48/347419248.db2.gz JHYYOXCGLPJNKN-QMMMGPOBSA-N 1 2 208.265 0.038 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccn(C)n1 ZINC000616924667 347456105 /nfs/dbraw/zinc/45/61/05/347456105.db2.gz RIWZXYDZFRMXHH-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccn(C)n1 ZINC000616924667 347456107 /nfs/dbraw/zinc/45/61/07/347456107.db2.gz RIWZXYDZFRMXHH-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CC[N@@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000364456409 347435943 /nfs/dbraw/zinc/43/59/43/347435943.db2.gz QQCSCHNZABFZCH-ZCFIWIBFSA-N 1 2 210.237 0.325 20 0 BCADLO CC[N@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000364456409 347435945 /nfs/dbraw/zinc/43/59/45/347435945.db2.gz QQCSCHNZABFZCH-ZCFIWIBFSA-N 1 2 210.237 0.325 20 0 BCADLO Cc1n[nH]cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396923011 362841224 /nfs/dbraw/zinc/84/12/24/362841224.db2.gz KTAYEQOXYLDDPZ-UHFFFAOYSA-N 1 2 231.259 0.640 20 0 BCADLO Cc1n[nH]cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396923011 362841227 /nfs/dbraw/zinc/84/12/27/362841227.db2.gz KTAYEQOXYLDDPZ-UHFFFAOYSA-N 1 2 231.259 0.640 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)C[C@H]1COCCO1 ZINC000590723019 347493306 /nfs/dbraw/zinc/49/33/06/347493306.db2.gz LPLUGBOQSRBZHT-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1COCCO1 ZINC000590723019 347493308 /nfs/dbraw/zinc/49/33/08/347493308.db2.gz LPLUGBOQSRBZHT-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1ccn(CC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616928661 347494703 /nfs/dbraw/zinc/49/47/03/347494703.db2.gz IAMAZMIPFPMONA-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO Cc1ccn(CC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616928661 347494704 /nfs/dbraw/zinc/49/47/04/347494704.db2.gz IAMAZMIPFPMONA-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@](C)(O)C1CC1 ZINC000616928607 347494975 /nfs/dbraw/zinc/49/49/75/347494975.db2.gz GQOKMACQAAJKOX-LLVKDONJSA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@](C)(O)C1CC1 ZINC000616928607 347494977 /nfs/dbraw/zinc/49/49/77/347494977.db2.gz GQOKMACQAAJKOX-LLVKDONJSA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](O)C1CC1 ZINC000616928481 347495315 /nfs/dbraw/zinc/49/53/15/347495315.db2.gz BAPIKKYRLWQSHV-SECBINFHSA-N 1 2 209.249 0.139 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](O)C1CC1 ZINC000616928481 347495320 /nfs/dbraw/zinc/49/53/20/347495320.db2.gz BAPIKKYRLWQSHV-SECBINFHSA-N 1 2 209.249 0.139 20 0 BCADLO Cc1ccnc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616929376 347497548 /nfs/dbraw/zinc/49/75/48/347497548.db2.gz ZIUAXLXCIWQPEL-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1ccnc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616929376 347497549 /nfs/dbraw/zinc/49/75/49/347497549.db2.gz ZIUAXLXCIWQPEL-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926914 347459552 /nfs/dbraw/zinc/45/95/52/347459552.db2.gz VDURMCHXYZMGPT-SCZZXKLOSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926914 347459553 /nfs/dbraw/zinc/45/95/53/347459553.db2.gz VDURMCHXYZMGPT-SCZZXKLOSA-N 1 2 223.276 0.793 20 0 BCADLO CCC[C@H](O)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926806 347459735 /nfs/dbraw/zinc/45/97/35/347459735.db2.gz QMECGPOXHFZQAA-JTQLQIEISA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@H](O)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926806 347459738 /nfs/dbraw/zinc/45/97/38/347459738.db2.gz QMECGPOXHFZQAA-JTQLQIEISA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@@H](O)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926807 347459800 /nfs/dbraw/zinc/45/98/00/347459800.db2.gz QMECGPOXHFZQAA-SNVBAGLBSA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@@H](O)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926807 347459803 /nfs/dbraw/zinc/45/98/03/347459803.db2.gz QMECGPOXHFZQAA-SNVBAGLBSA-N 1 2 225.292 0.919 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927213 347460775 /nfs/dbraw/zinc/46/07/75/347460775.db2.gz DIKYISXMFOITBH-LLVKDONJSA-N 1 2 225.292 0.775 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927213 347460778 /nfs/dbraw/zinc/46/07/78/347460778.db2.gz DIKYISXMFOITBH-LLVKDONJSA-N 1 2 225.292 0.775 20 0 BCADLO CCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000011638336 347463066 /nfs/dbraw/zinc/46/30/66/347463066.db2.gz YMXVAQQKWVGBPK-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO CCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000011638336 347463070 /nfs/dbraw/zinc/46/30/70/347463070.db2.gz YMXVAQQKWVGBPK-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000590599820 347480562 /nfs/dbraw/zinc/48/05/62/347480562.db2.gz QZKQXVLDYSHDGB-QMMMGPOBSA-N 1 2 209.249 0.260 20 0 BCADLO O=C(NCc1cc[nH]n1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636594409 347531993 /nfs/dbraw/zinc/53/19/93/347531993.db2.gz PUHQGYIKZMNFMD-VIFPVBQESA-N 1 2 246.274 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@H](C)O ZINC000590735037 347501735 /nfs/dbraw/zinc/50/17/35/347501735.db2.gz KJRPIVANVIQXMR-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@H](C)O ZINC000590735037 347501737 /nfs/dbraw/zinc/50/17/37/347501737.db2.gz KJRPIVANVIQXMR-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO C[C@@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000590871575 347577432 /nfs/dbraw/zinc/57/74/32/347577432.db2.gz PWWFYVYHHXLYHW-MRVPVSSYSA-N 1 2 208.265 0.724 20 0 BCADLO CC(=O)CSCC(=O)NC1C[NH+](C(C)C)C1 ZINC000590910452 347586289 /nfs/dbraw/zinc/58/62/89/347586289.db2.gz YDBUJSBMJLHURK-UHFFFAOYSA-N 1 2 244.360 0.517 20 0 BCADLO O=C([C@@H]1CCOC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591046912 347615369 /nfs/dbraw/zinc/61/53/69/347615369.db2.gz BJTAJPZHYVHZSZ-SNVBAGLBSA-N 1 2 248.282 0.708 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COC(C)(C)C1 ZINC000617050444 347640257 /nfs/dbraw/zinc/64/02/57/347640257.db2.gz TUVFSTUSZKVFTE-VIFPVBQESA-N 1 2 237.303 0.646 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CC[C@@H](C)O ZINC000591019838 347610527 /nfs/dbraw/zinc/61/05/27/347610527.db2.gz HSGMHKQXZTXHSZ-NXEZZACHSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC[C@@H](C)O ZINC000591019838 347610528 /nfs/dbraw/zinc/61/05/28/347610528.db2.gz HSGMHKQXZTXHSZ-NXEZZACHSA-N 1 2 233.308 0.267 20 0 BCADLO CC[C@H]([NH2+]CCCc1ncn(C)n1)C(=O)OC ZINC000592445724 347779887 /nfs/dbraw/zinc/77/98/87/347779887.db2.gz QDLHBCBAUNASCC-VIFPVBQESA-N 1 2 240.307 0.289 20 0 BCADLO CC[N@H+](CCSC)[C@@H](C)c1nnnn1C ZINC000592204658 347756652 /nfs/dbraw/zinc/75/66/52/347756652.db2.gz UXVDAOGHRHEJPR-QMMMGPOBSA-N 1 2 229.353 0.956 20 0 BCADLO CC[N@@H+](CCSC)[C@@H](C)c1nnnn1C ZINC000592204658 347756654 /nfs/dbraw/zinc/75/66/54/347756654.db2.gz UXVDAOGHRHEJPR-QMMMGPOBSA-N 1 2 229.353 0.956 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccon2)C1 ZINC000592206085 347756780 /nfs/dbraw/zinc/75/67/80/347756780.db2.gz LXOUBDJLSQYFCO-PSASIEDQSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccon2)C1 ZINC000592206085 347756781 /nfs/dbraw/zinc/75/67/81/347756781.db2.gz LXOUBDJLSQYFCO-PSASIEDQSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cocn2)C1 ZINC000592527678 347795480 /nfs/dbraw/zinc/79/54/80/347795480.db2.gz GWWWLVFVWSKQDQ-SCZZXKLOSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cocn2)C1 ZINC000592527678 347795483 /nfs/dbraw/zinc/79/54/83/347795483.db2.gz GWWWLVFVWSKQDQ-SCZZXKLOSA-N 1 2 240.259 0.030 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H](CC)CO)no1 ZINC000345840615 365924908 /nfs/dbraw/zinc/92/49/08/365924908.db2.gz QRVMIDPWCJSWPA-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H](CC)CO)no1 ZINC000345840615 365924914 /nfs/dbraw/zinc/92/49/14/365924914.db2.gz QRVMIDPWCJSWPA-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H](CC)CO)no1 ZINC000345840614 365925226 /nfs/dbraw/zinc/92/52/26/365925226.db2.gz QRVMIDPWCJSWPA-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H](CC)CO)no1 ZINC000345840614 365925229 /nfs/dbraw/zinc/92/52/29/365925229.db2.gz QRVMIDPWCJSWPA-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)OC(C)(C)C ZINC000593067576 347850436 /nfs/dbraw/zinc/85/04/36/347850436.db2.gz WLBJSVDWRGRESZ-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)OC(C)(C)C ZINC000593067576 347850437 /nfs/dbraw/zinc/85/04/37/347850437.db2.gz WLBJSVDWRGRESZ-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093470 347853453 /nfs/dbraw/zinc/85/34/53/347853453.db2.gz FXCDIEABEFZCRR-PUTJDCORSA-N 1 2 244.360 0.060 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093470 347853457 /nfs/dbraw/zinc/85/34/57/347853457.db2.gz FXCDIEABEFZCRR-PUTJDCORSA-N 1 2 244.360 0.060 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093461 347853809 /nfs/dbraw/zinc/85/38/09/347853809.db2.gz FXCDIEABEFZCRR-XQJJYNOISA-N 1 2 244.360 0.060 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093461 347853810 /nfs/dbraw/zinc/85/38/10/347853810.db2.gz FXCDIEABEFZCRR-XQJJYNOISA-N 1 2 244.360 0.060 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099290 347855844 /nfs/dbraw/zinc/85/58/44/347855844.db2.gz HJBLYYQOCAKBBA-OMQMVUIESA-N 1 2 244.360 0.106 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099290 347855846 /nfs/dbraw/zinc/85/58/46/347855846.db2.gz HJBLYYQOCAKBBA-OMQMVUIESA-N 1 2 244.360 0.106 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(F)c1 ZINC000593099359 347856032 /nfs/dbraw/zinc/85/60/32/347856032.db2.gz IOOBVROEYLQBJK-MMPTUQATSA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(F)c1 ZINC000593099359 347856035 /nfs/dbraw/zinc/85/60/35/347856035.db2.gz IOOBVROEYLQBJK-MMPTUQATSA-N 1 2 240.303 0.926 20 0 BCADLO Cc1ccccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000051666457 179299327 /nfs/dbraw/zinc/29/93/27/179299327.db2.gz VXVDWNLZDRDCPM-UHFFFAOYSA-N 1 2 247.298 0.365 20 0 BCADLO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)C(=O)OC ZINC000593183330 347868967 /nfs/dbraw/zinc/86/89/67/347868967.db2.gz UHYMVCHZYOVCHT-CMPLNLGQSA-N 1 2 245.319 0.459 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000593277394 347877349 /nfs/dbraw/zinc/87/73/49/347877349.db2.gz WXORFFFHGQTFLS-SECBINFHSA-N 1 2 235.287 0.665 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@@H]2C(N)=O)[nH+]1 ZINC000628300291 347900639 /nfs/dbraw/zinc/90/06/39/347900639.db2.gz ZADLLWZOKSGNLB-MRVPVSSYSA-N 1 2 208.265 0.168 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593687050 347927115 /nfs/dbraw/zinc/92/71/15/347927115.db2.gz ILBDQSHKCMAMDA-YHAQOWFVSA-N 1 2 225.317 0.423 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593687050 347927119 /nfs/dbraw/zinc/92/71/19/347927119.db2.gz ILBDQSHKCMAMDA-YHAQOWFVSA-N 1 2 225.317 0.423 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)o1 ZINC000593688986 347927567 /nfs/dbraw/zinc/92/75/67/347927567.db2.gz RRPYGAYRLWMTRN-DCVWNHFUSA-N 1 2 241.312 0.477 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)o1 ZINC000593688986 347927569 /nfs/dbraw/zinc/92/75/69/347927569.db2.gz RRPYGAYRLWMTRN-DCVWNHFUSA-N 1 2 241.312 0.477 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688874 347927819 /nfs/dbraw/zinc/92/78/19/347927819.db2.gz QYUGKTGVXNOPOX-XMZIXOGTSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688874 347927820 /nfs/dbraw/zinc/92/78/20/347927820.db2.gz QYUGKTGVXNOPOX-XMZIXOGTSA-N 1 2 239.344 0.608 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593692970 347928879 /nfs/dbraw/zinc/92/88/79/347928879.db2.gz IAMQVGPEIOPTOT-KOSWAMCASA-N 1 2 225.317 0.423 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593692970 347928881 /nfs/dbraw/zinc/92/88/81/347928881.db2.gz IAMQVGPEIOPTOT-KOSWAMCASA-N 1 2 225.317 0.423 20 0 BCADLO COC(=O)CC1(NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000593790548 347952200 /nfs/dbraw/zinc/95/22/00/347952200.db2.gz UFACWWFTFDPXQW-UHFFFAOYSA-N 1 2 237.259 0.544 20 0 BCADLO CC[C@@H](C[NH2+][C@@](CC)(COC)C(=O)OC)OC ZINC000419278195 192111264 /nfs/dbraw/zinc/11/12/64/192111264.db2.gz HQUFPQRIBYKJNP-JQWIXIFHSA-N 1 2 247.335 0.969 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC[C@H]1CCNC1=O ZINC000593956282 347971272 /nfs/dbraw/zinc/97/12/72/347971272.db2.gz JOYFLBQUMDDMKJ-MRVPVSSYSA-N 1 2 228.292 0.054 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](C)C[S@](C)=O ZINC000594570775 348074410 /nfs/dbraw/zinc/07/44/10/348074410.db2.gz WXCBJFJOJFLMDL-QZTNRIJFSA-N 1 2 243.332 0.973 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000594720790 348107710 /nfs/dbraw/zinc/10/77/10/348107710.db2.gz KRIAWAUYJDEDRF-IUCAKERBSA-N 1 2 249.257 0.952 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185943433 535069464 /nfs/dbraw/zinc/06/94/64/535069464.db2.gz MBQPUHCKFVJGJE-GFCCVEGCSA-N 1 2 241.335 0.243 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185943433 535069475 /nfs/dbraw/zinc/06/94/75/535069475.db2.gz MBQPUHCKFVJGJE-GFCCVEGCSA-N 1 2 241.335 0.243 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ncn(C)n1 ZINC000594933657 348140851 /nfs/dbraw/zinc/14/08/51/348140851.db2.gz AKZDQALZAXNQHP-DJLDLDEBSA-N 1 2 238.291 0.102 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ncccc2F)c1 ZINC000616208327 348143293 /nfs/dbraw/zinc/14/32/93/348143293.db2.gz YNXXZLHBJSSDDA-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(F)(F)CO ZINC000594947121 348146034 /nfs/dbraw/zinc/14/60/34/348146034.db2.gz SQSIVFIQQCXINC-BWZBUEFSSA-N 1 2 237.246 0.401 20 0 BCADLO CCC[N@H+](CCc1c[nH]nn1)CC(=O)OCC ZINC000595294564 348215244 /nfs/dbraw/zinc/21/52/44/348215244.db2.gz PLXMXWBKIOWHMD-UHFFFAOYSA-N 1 2 240.307 0.622 20 0 BCADLO CCC[N@@H+](CCc1c[nH]nn1)CC(=O)OCC ZINC000595294564 348215247 /nfs/dbraw/zinc/21/52/47/348215247.db2.gz PLXMXWBKIOWHMD-UHFFFAOYSA-N 1 2 240.307 0.622 20 0 BCADLO CCC[N@H+](CCc1cn[nH]n1)CC(=O)OCC ZINC000595294564 348215250 /nfs/dbraw/zinc/21/52/50/348215250.db2.gz PLXMXWBKIOWHMD-UHFFFAOYSA-N 1 2 240.307 0.622 20 0 BCADLO CCC[N@@H+](CCc1cn[nH]n1)CC(=O)OCC ZINC000595294564 348215254 /nfs/dbraw/zinc/21/52/54/348215254.db2.gz PLXMXWBKIOWHMD-UHFFFAOYSA-N 1 2 240.307 0.622 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCO[C@H]1CC1(F)F ZINC000595311786 348223652 /nfs/dbraw/zinc/22/36/52/348223652.db2.gz YFDPECNVTVTGOZ-ZETCQYMHSA-N 1 2 237.246 0.952 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595319835 348225596 /nfs/dbraw/zinc/22/55/96/348225596.db2.gz DEMSPTCCAHRIPD-ABFUHYCJSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCc1cn[nH]n1 ZINC000595319835 348225598 /nfs/dbraw/zinc/22/55/98/348225598.db2.gz DEMSPTCCAHRIPD-ABFUHYCJSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595319836 348225671 /nfs/dbraw/zinc/22/56/71/348225671.db2.gz DEMSPTCCAHRIPD-YNEJBJPTSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCc1cn[nH]n1 ZINC000595319836 348225675 /nfs/dbraw/zinc/22/56/75/348225675.db2.gz DEMSPTCCAHRIPD-YNEJBJPTSA-N 1 2 242.348 0.189 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595319938 348226050 /nfs/dbraw/zinc/22/60/50/348226050.db2.gz UKASDTMVBUXHOT-PWSUYJOCSA-N 1 2 247.335 0.969 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)O ZINC000563822063 323179364 /nfs/dbraw/zinc/17/93/64/323179364.db2.gz FIGSLFXHOMMRPN-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)O ZINC000563822063 323179365 /nfs/dbraw/zinc/17/93/65/323179365.db2.gz FIGSLFXHOMMRPN-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)CCN1CCn2c[nH+]cc2C1 ZINC000595496115 348262134 /nfs/dbraw/zinc/26/21/34/348262134.db2.gz VRUCOIULNRHHQK-UHFFFAOYSA-N 1 2 209.249 0.262 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000595406462 348239870 /nfs/dbraw/zinc/23/98/70/348239870.db2.gz JMPKCPPALLVXNW-KOLCDFICSA-N 1 2 233.308 0.579 20 0 BCADLO COC[C@H](C[NH2+][C@@](C)(C(=O)OC)C1CC1)OC ZINC000595405637 348240284 /nfs/dbraw/zinc/24/02/84/348240284.db2.gz ALQDRUFMPNSGKX-CMPLNLGQSA-N 1 2 245.319 0.579 20 0 BCADLO CCC(CC)([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595435775 348250304 /nfs/dbraw/zinc/25/03/04/348250304.db2.gz ITDBQJIJXPFZTB-JTQLQIEISA-N 1 2 247.335 0.969 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000595476854 348252616 /nfs/dbraw/zinc/25/26/16/348252616.db2.gz TYNAASKMVBXQQY-JGVFFNPUSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000595476854 348252619 /nfs/dbraw/zinc/25/26/19/348252619.db2.gz TYNAASKMVBXQQY-JGVFFNPUSA-N 1 2 237.246 0.904 20 0 BCADLO CCN1CC[N@H+](CCOCC2CCC2)CC1=O ZINC000419242188 192113463 /nfs/dbraw/zinc/11/34/63/192113463.db2.gz KGSYMXVZMLTGHU-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO CCN1CC[N@@H+](CCOCC2CCC2)CC1=O ZINC000419242188 192113465 /nfs/dbraw/zinc/11/34/65/192113465.db2.gz KGSYMXVZMLTGHU-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1Cc1cn(C)c[nH+]1 ZINC000595464541 348257916 /nfs/dbraw/zinc/25/79/16/348257916.db2.gz JCTLGFDTFAQENF-WPRPVWTQSA-N 1 2 241.266 0.506 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000093190707 179375535 /nfs/dbraw/zinc/37/55/35/179375535.db2.gz RTRBRICREMCJOC-RYUDHWBXSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000093190707 179375539 /nfs/dbraw/zinc/37/55/39/179375539.db2.gz RTRBRICREMCJOC-RYUDHWBXSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000093189732 179375943 /nfs/dbraw/zinc/37/59/43/179375943.db2.gz WBXGMLMNYCMKKI-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000093189732 179375945 /nfs/dbraw/zinc/37/59/45/179375945.db2.gz WBXGMLMNYCMKKI-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCC1 ZINC000595526099 348271438 /nfs/dbraw/zinc/27/14/38/348271438.db2.gz HIZNHPUQPWKXRX-SNVBAGLBSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1CC1 ZINC000595527855 348271866 /nfs/dbraw/zinc/27/18/66/348271866.db2.gz SHRQPMUKXINNKA-SNVBAGLBSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000595531127 348273039 /nfs/dbraw/zinc/27/30/39/348273039.db2.gz CNTIVCLGYQOXMA-UMNHJUIQSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000595531126 348273334 /nfs/dbraw/zinc/27/33/34/348273334.db2.gz CNTIVCLGYQOXMA-SCVCMEIPSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@H]1CCOC1 ZINC000595532771 348274571 /nfs/dbraw/zinc/27/45/71/348274571.db2.gz BKQHPEJZONDTNY-CMPLNLGQSA-N 1 2 245.319 0.317 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595591399 348277788 /nfs/dbraw/zinc/27/77/88/348277788.db2.gz GOPDSEHHGSDSQJ-VIFPVBQESA-N 1 2 215.322 0.565 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595591399 348277789 /nfs/dbraw/zinc/27/77/89/348277789.db2.gz GOPDSEHHGSDSQJ-VIFPVBQESA-N 1 2 215.322 0.565 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595632417 348293728 /nfs/dbraw/zinc/29/37/28/348293728.db2.gz OAMJTJXQFXZAOL-GMTAPVOTSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(F)F ZINC000595664751 348301705 /nfs/dbraw/zinc/30/17/05/348301705.db2.gz TZMACXCUFZDMCK-CAHLUQPWSA-N 1 2 209.192 0.172 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cnn(C)c1 ZINC000595675796 348310212 /nfs/dbraw/zinc/31/02/12/348310212.db2.gz WAWHJVFGXSUMRL-UHFFFAOYSA-N 1 2 235.287 0.558 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cnn(C)c1 ZINC000595675796 348310214 /nfs/dbraw/zinc/31/02/14/348310214.db2.gz WAWHJVFGXSUMRL-UHFFFAOYSA-N 1 2 235.287 0.558 20 0 BCADLO COC(=O)CC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595675074 348310367 /nfs/dbraw/zinc/31/03/67/348310367.db2.gz NUHBUFZIJSZBGB-UHFFFAOYSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)CC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595675074 348310369 /nfs/dbraw/zinc/31/03/69/348310369.db2.gz NUHBUFZIJSZBGB-UHFFFAOYSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595682873 348312114 /nfs/dbraw/zinc/31/21/14/348312114.db2.gz TYDDCDAIIWGYGJ-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595682873 348312116 /nfs/dbraw/zinc/31/21/16/348312116.db2.gz TYDDCDAIIWGYGJ-VIFPVBQESA-N 1 2 213.277 0.803 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000408182066 490158294 /nfs/dbraw/zinc/15/82/94/490158294.db2.gz HBHKHJZKEULNHS-SECBINFHSA-N 1 2 246.376 0.311 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000408182066 490158300 /nfs/dbraw/zinc/15/83/00/490158300.db2.gz HBHKHJZKEULNHS-SECBINFHSA-N 1 2 246.376 0.311 20 0 BCADLO CNC(=O)CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595769173 348335510 /nfs/dbraw/zinc/33/55/10/348335510.db2.gz KZDSOCFTABLWIQ-JTQLQIEISA-N 1 2 234.271 0.003 20 0 BCADLO CCOCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595769081 348335598 /nfs/dbraw/zinc/33/55/98/348335598.db2.gz IGKLDEAKGRPBBB-SNVBAGLBSA-N 1 2 221.272 0.904 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCn1cncn1 ZINC000595769400 348335646 /nfs/dbraw/zinc/33/56/46/348335646.db2.gz LQZKIJSRAUUBPC-JTQLQIEISA-N 1 2 244.270 0.159 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](C)CO ZINC000595773855 348337312 /nfs/dbraw/zinc/33/73/12/348337312.db2.gz FFNSYWRANYNQNV-WCBMZHEXSA-N 1 2 221.272 0.496 20 0 BCADLO COC(=O)[C@](C)(CCF)NCc1c[nH+]c[nH]1 ZINC000595775648 348337995 /nfs/dbraw/zinc/33/79/95/348337995.db2.gz PTMVLUSROHVUSF-JTQLQIEISA-N 1 2 229.255 0.791 20 0 BCADLO COC(=O)[C@](C)(CCF)NCc1c[nH]c[nH+]1 ZINC000595775648 348337997 /nfs/dbraw/zinc/33/79/97/348337997.db2.gz PTMVLUSROHVUSF-JTQLQIEISA-N 1 2 229.255 0.791 20 0 BCADLO CNC(=O)CCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595775619 348338154 /nfs/dbraw/zinc/33/81/54/348338154.db2.gz PPQYYUXGLJTFHK-LLVKDONJSA-N 1 2 248.298 0.394 20 0 BCADLO CCOC(=O)C12CC(C1)CN2Cc1c[nH+]c[nH]1 ZINC000595872762 348386559 /nfs/dbraw/zinc/38/65/59/348386559.db2.gz YDDLHDIDURGLDN-UHFFFAOYSA-N 1 2 235.287 0.937 20 0 BCADLO CCOC(=O)C12CC(C1)CN2Cc1c[nH]c[nH+]1 ZINC000595872762 348386560 /nfs/dbraw/zinc/38/65/60/348386560.db2.gz YDDLHDIDURGLDN-UHFFFAOYSA-N 1 2 235.287 0.937 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830059 348364701 /nfs/dbraw/zinc/36/47/01/348364701.db2.gz SZZUGDXMDVMSIT-JTQLQIEISA-N 1 2 240.303 0.104 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830059 348364705 /nfs/dbraw/zinc/36/47/05/348364705.db2.gz SZZUGDXMDVMSIT-JTQLQIEISA-N 1 2 240.303 0.104 20 0 BCADLO c1ncn(C[C@H]2CN(c3cccc[nH+]3)CCO2)n1 ZINC000595890609 348390115 /nfs/dbraw/zinc/39/01/15/348390115.db2.gz KYHNDVGWXGWLBH-LLVKDONJSA-N 1 2 245.286 0.579 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOCCF)C1CC1 ZINC000596047793 348429480 /nfs/dbraw/zinc/42/94/80/348429480.db2.gz AMUNKEQGYDRBAD-SECBINFHSA-N 1 2 219.256 0.514 20 0 BCADLO CC[C@@H]([NH2+]CCOCCF)C(=O)OC ZINC000596052205 348433512 /nfs/dbraw/zinc/43/35/12/348433512.db2.gz UQRPFPMEVDSTTI-MRVPVSSYSA-N 1 2 207.245 0.514 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCc2c(ncn2C)C1 ZINC000603556081 349992734 /nfs/dbraw/zinc/99/27/34/349992734.db2.gz PRAYYPWBKHJRJC-SNVBAGLBSA-N 1 2 239.319 0.176 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCc2c(ncn2C)C1 ZINC000603556081 349992738 /nfs/dbraw/zinc/99/27/38/349992738.db2.gz PRAYYPWBKHJRJC-SNVBAGLBSA-N 1 2 239.319 0.176 20 0 BCADLO CCOC[C@H](O)CN1CCc2c([nH+]cn2C)C1 ZINC000603556081 349992740 /nfs/dbraw/zinc/99/27/40/349992740.db2.gz PRAYYPWBKHJRJC-SNVBAGLBSA-N 1 2 239.319 0.176 20 0 BCADLO CC[C@@H](O)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596276474 348494432 /nfs/dbraw/zinc/49/44/32/348494432.db2.gz APUULNINSWFQTP-SNVBAGLBSA-N 1 2 238.287 0.980 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CCOCC2 ZINC000531373277 348470324 /nfs/dbraw/zinc/47/03/24/348470324.db2.gz NENCNENCUIRLKU-VIFPVBQESA-N 1 2 248.282 0.964 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC ZINC000401901887 348651003 /nfs/dbraw/zinc/65/10/03/348651003.db2.gz FRBIKKJWXPSJQF-VGMNWLOBSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000597115993 348663146 /nfs/dbraw/zinc/66/31/46/348663146.db2.gz BJFWPAPCYCLFJN-LURQLKTLSA-N 1 2 229.276 0.335 20 0 BCADLO Cc1nc(N2CCC[C@H](CO)C2)cc[nH+]1 ZINC000054937110 348847034 /nfs/dbraw/zinc/84/70/34/348847034.db2.gz IAGVGTCZFDVPBG-JTQLQIEISA-N 1 2 207.277 0.994 20 0 BCADLO CSCC[C@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597866577 348831812 /nfs/dbraw/zinc/83/18/12/348831812.db2.gz YZFZMFURAJTACX-VIFPVBQESA-N 1 2 243.332 0.482 20 0 BCADLO CSCC[C@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597866577 348831815 /nfs/dbraw/zinc/83/18/15/348831815.db2.gz YZFZMFURAJTACX-VIFPVBQESA-N 1 2 243.332 0.482 20 0 BCADLO CSCC[C@@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597866576 348831930 /nfs/dbraw/zinc/83/19/30/348831930.db2.gz YZFZMFURAJTACX-SECBINFHSA-N 1 2 243.332 0.482 20 0 BCADLO CSCC[C@@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597866576 348831935 /nfs/dbraw/zinc/83/19/35/348831935.db2.gz YZFZMFURAJTACX-SECBINFHSA-N 1 2 243.332 0.482 20 0 BCADLO Cn1cnnc1C[N@@H+](CCO)C1CCC1 ZINC000221150825 323200599 /nfs/dbraw/zinc/20/05/99/323200599.db2.gz SEVSSQODZUDVDA-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1ccoc1 ZINC000618475314 348915368 /nfs/dbraw/zinc/91/53/68/348915368.db2.gz DRHLCPIGUCXHLL-UHFFFAOYSA-N 1 2 233.271 0.915 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000051736257 348982111 /nfs/dbraw/zinc/98/21/11/348982111.db2.gz URMKAJQNXWZOJH-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000051736257 348982115 /nfs/dbraw/zinc/98/21/15/348982115.db2.gz URMKAJQNXWZOJH-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC12CC2 ZINC000421760742 192380194 /nfs/dbraw/zinc/38/01/94/192380194.db2.gz HEHZLHGGOUYFJW-NSHDSACASA-N 1 2 238.331 0.577 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000598674721 349019772 /nfs/dbraw/zinc/01/97/72/349019772.db2.gz SBKFMSRFJADYDT-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000598674721 349019775 /nfs/dbraw/zinc/01/97/75/349019775.db2.gz SBKFMSRFJADYDT-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO COC(=O)[C@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000351539912 490223690 /nfs/dbraw/zinc/22/36/90/490223690.db2.gz NIEPGGDAYVHQTP-SNVBAGLBSA-N 1 2 239.275 0.197 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599277313 349138726 /nfs/dbraw/zinc/13/87/26/349138726.db2.gz LRKWUPLJTVYLPC-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599277313 349138728 /nfs/dbraw/zinc/13/87/28/349138728.db2.gz LRKWUPLJTVYLPC-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000599280038 349139676 /nfs/dbraw/zinc/13/96/76/349139676.db2.gz ANUUZNOLJKBMBX-VIFPVBQESA-N 1 2 245.319 0.194 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1C[C@H]1C ZINC000599438384 349176933 /nfs/dbraw/zinc/17/69/33/349176933.db2.gz VSXPBRVGHPSOBE-MRTMQBJTSA-N 1 2 201.266 0.156 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCCC(=O)OC)C1 ZINC000599439805 349178815 /nfs/dbraw/zinc/17/88/15/349178815.db2.gz GTUPVDDZLGOZKS-UHFFFAOYSA-N 1 2 242.319 0.841 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000599439805 349178818 /nfs/dbraw/zinc/17/88/18/349178818.db2.gz GTUPVDDZLGOZKS-UHFFFAOYSA-N 1 2 242.319 0.841 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000308947662 349179637 /nfs/dbraw/zinc/17/96/37/349179637.db2.gz WRVQKAQPBPZHQB-ZETCQYMHSA-N 1 2 227.289 0.533 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000308947662 349179639 /nfs/dbraw/zinc/17/96/39/349179639.db2.gz WRVQKAQPBPZHQB-ZETCQYMHSA-N 1 2 227.289 0.533 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1C[C@H]1C)C(=O)OC ZINC000599342732 349153202 /nfs/dbraw/zinc/15/32/02/349153202.db2.gz UEPXQYHNRZPOBR-YWVKMMECSA-N 1 2 215.293 0.810 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000599575423 349225433 /nfs/dbraw/zinc/22/54/33/349225433.db2.gz KJZDPIMOLQWVOI-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000599575423 349225437 /nfs/dbraw/zinc/22/54/37/349225437.db2.gz KJZDPIMOLQWVOI-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CNC(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650944 349234164 /nfs/dbraw/zinc/23/41/64/349234164.db2.gz ZSHCHELQAPGEMV-UHFFFAOYSA-N 1 2 244.335 0.832 20 0 BCADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCO ZINC000599661717 349236155 /nfs/dbraw/zinc/23/61/55/349236155.db2.gz STQVLBMQJITQKI-UHFFFAOYSA-N 1 2 203.282 0.689 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631934 349236806 /nfs/dbraw/zinc/23/68/06/349236806.db2.gz IQHHGYUWBDAPEG-KCWFYHRYSA-N 1 2 245.344 0.535 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631934 349236810 /nfs/dbraw/zinc/23/68/10/349236810.db2.gz IQHHGYUWBDAPEG-KCWFYHRYSA-N 1 2 245.344 0.535 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631929 349237191 /nfs/dbraw/zinc/23/71/91/349237191.db2.gz HYVPFHYXSHWKSA-ZESJGQACSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631929 349237193 /nfs/dbraw/zinc/23/71/93/349237193.db2.gz HYVPFHYXSHWKSA-ZESJGQACSA-N 1 2 245.344 0.533 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599705717 349249411 /nfs/dbraw/zinc/24/94/11/349249411.db2.gz ZOMBJWUQISYKPC-LLVKDONJSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599705717 349249413 /nfs/dbraw/zinc/24/94/13/349249413.db2.gz ZOMBJWUQISYKPC-LLVKDONJSA-N 1 2 242.319 0.540 20 0 BCADLO Cc1[nH]c(C(=O)NCCC(=O)NC(C)C)c[nH+]1 ZINC000266954968 179882271 /nfs/dbraw/zinc/88/22/71/179882271.db2.gz VRBWGOKQVJNIPA-UHFFFAOYSA-N 1 2 238.291 0.363 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944129 349346087 /nfs/dbraw/zinc/34/60/87/349346087.db2.gz UJIQYLLJCQXKQX-QEYWKRMJSA-N 1 2 227.304 0.951 20 0 BCADLO COCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603786157 350025301 /nfs/dbraw/zinc/02/53/01/350025301.db2.gz RGOBFOAHRGECJH-UHFFFAOYSA-N 1 2 205.217 0.919 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813847 350037566 /nfs/dbraw/zinc/03/75/66/350037566.db2.gz SKHCEHTUKNSUSW-WPRPVWTQSA-N 1 2 205.261 0.922 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813846 350037881 /nfs/dbraw/zinc/03/78/81/350037881.db2.gz SKHCEHTUKNSUSW-WCBMZHEXSA-N 1 2 205.261 0.922 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000093332940 191004667 /nfs/dbraw/zinc/00/46/67/191004667.db2.gz QOTHGFUFVROALB-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000093332940 191004669 /nfs/dbraw/zinc/00/46/69/191004669.db2.gz QOTHGFUFVROALB-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO COC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603841180 350041930 /nfs/dbraw/zinc/04/19/30/350041930.db2.gz OVQBQGDSNJJFCB-UHFFFAOYSA-N 1 2 204.189 0.449 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000426769476 191005896 /nfs/dbraw/zinc/00/58/96/191005896.db2.gz JHNZUSFDRMKQSC-LBPRGKRZSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)N1CCC1 ZINC000426769476 191005898 /nfs/dbraw/zinc/00/58/98/191005898.db2.gz JHNZUSFDRMKQSC-LBPRGKRZSA-N 1 2 240.303 0.246 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000077174700 191006045 /nfs/dbraw/zinc/00/60/45/191006045.db2.gz LSJZNMCSSHCFTP-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000077174700 191006048 /nfs/dbraw/zinc/00/60/48/191006048.db2.gz LSJZNMCSSHCFTP-SVRRBLITSA-N 1 2 240.225 0.120 20 0 BCADLO CC1(O)CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000126807758 191007867 /nfs/dbraw/zinc/00/78/67/191007867.db2.gz BHQFMBBMFRUVFV-UHFFFAOYSA-N 1 2 237.307 0.355 20 0 BCADLO C[N@H+](CCn1ccccc1=O)Cc1cc[nH]n1 ZINC000603933935 350055420 /nfs/dbraw/zinc/05/54/20/350055420.db2.gz MKGMXSHSOCVPIC-UHFFFAOYSA-N 1 2 232.287 0.703 20 0 BCADLO C[N@@H+](CCn1ccccc1=O)Cc1cc[nH]n1 ZINC000603933935 350055423 /nfs/dbraw/zinc/05/54/23/350055423.db2.gz MKGMXSHSOCVPIC-UHFFFAOYSA-N 1 2 232.287 0.703 20 0 BCADLO Cc1nc(NC(=O)CCc2[nH]cc[nH+]2)nn1C ZINC000330681335 180007821 /nfs/dbraw/zinc/00/78/21/180007821.db2.gz ZXYGSVVYYNSXBN-UHFFFAOYSA-N 1 2 234.263 0.418 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000278689034 180012598 /nfs/dbraw/zinc/01/25/98/180012598.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000278689034 180012601 /nfs/dbraw/zinc/01/26/01/180012601.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000278689034 180012602 /nfs/dbraw/zinc/01/26/02/180012602.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000278689034 180012605 /nfs/dbraw/zinc/01/26/05/180012605.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2COC[C@H]2O)[nH+]1 ZINC000333649371 180024103 /nfs/dbraw/zinc/02/41/03/180024103.db2.gz DSNJWDYGCNOPPP-RKDXNWHRSA-N 1 2 234.259 0.438 20 0 BCADLO Cc1nc([C@@](C)([NH2+]CCO)C2CC2)no1 ZINC000336650740 180046582 /nfs/dbraw/zinc/04/65/82/180046582.db2.gz PBZOJBBHEADBBG-JTQLQIEISA-N 1 2 211.265 0.585 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@@H](CO)[C@H]2CCCO2)no1 ZINC000352358433 180050806 /nfs/dbraw/zinc/05/08/06/180050806.db2.gz UXONJADWESMIJN-UJNFCWOMSA-N 1 2 241.291 0.569 20 0 BCADLO Cc1nc([C@](C)([NH2+]C[C@@H](C)O)C2CC2)no1 ZINC000309845638 180057185 /nfs/dbraw/zinc/05/71/85/180057185.db2.gz SWMRUWWMJXJJSE-RDDDGLTNSA-N 1 2 225.292 0.974 20 0 BCADLO C[C@H](C(=O)NCC(C)(C)O)[NH+]1CCSCC1 ZINC000132521479 191032791 /nfs/dbraw/zinc/03/27/91/191032791.db2.gz RIWFIIIWTXLQIM-SECBINFHSA-N 1 2 246.376 0.311 20 0 BCADLO Cc1ncoc1C(=O)NCc1c[nH+]c[nH]1 ZINC000094357459 350134069 /nfs/dbraw/zinc/13/40/69/350134069.db2.gz PVQIJTPZVGPNAN-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1ncoc1C(=O)NCc1c[nH]c[nH+]1 ZINC000094357459 350134072 /nfs/dbraw/zinc/13/40/72/350134072.db2.gz PVQIJTPZVGPNAN-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)NCCCO)cc2n1C ZINC000354384867 180089680 /nfs/dbraw/zinc/08/96/80/180089680.db2.gz JYJWJCABDOOVTG-UHFFFAOYSA-N 1 2 247.298 0.994 20 0 BCADLO CCOC(=O)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000604536478 350145046 /nfs/dbraw/zinc/14/50/46/350145046.db2.gz ZFDKYICJFIJMIN-UHFFFAOYSA-N 1 2 238.287 0.380 20 0 BCADLO CCOC(=O)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000604536478 350145047 /nfs/dbraw/zinc/14/50/47/350145047.db2.gz ZFDKYICJFIJMIN-UHFFFAOYSA-N 1 2 238.287 0.380 20 0 BCADLO Cc1nc(NC(CO)CO)c2c([nH+]1)CCCC2 ZINC000272817624 180069085 /nfs/dbraw/zinc/06/90/85/180069085.db2.gz DPOXRFIHXCJZQY-UHFFFAOYSA-N 1 2 237.303 0.429 20 0 BCADLO Cc1nc(NCCNC(N)=O)c2c([nH+]1)CCCC2 ZINC000302049385 180070001 /nfs/dbraw/zinc/07/00/01/180070001.db2.gz MXNSZWFEVFKEEH-UHFFFAOYSA-N 1 2 249.318 0.744 20 0 BCADLO CC[C@](C)([NH2+]Cc1ncc(C)o1)C(N)=O ZINC000133233256 191037462 /nfs/dbraw/zinc/03/74/62/191037462.db2.gz SMJCVAJQUALLAZ-JTQLQIEISA-N 1 2 211.265 0.727 20 0 BCADLO CSC[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000304527747 350162551 /nfs/dbraw/zinc/16/25/51/350162551.db2.gz SZTUBMQUJIRPIY-VIFPVBQESA-N 1 2 243.336 0.288 20 0 BCADLO CSC[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000304527747 350162553 /nfs/dbraw/zinc/16/25/53/350162553.db2.gz SZTUBMQUJIRPIY-VIFPVBQESA-N 1 2 243.336 0.288 20 0 BCADLO CC(C)(C)OC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000313668942 350164301 /nfs/dbraw/zinc/16/43/01/350164301.db2.gz DQXPSBVYSCGFPE-UHFFFAOYSA-N 1 2 245.319 0.147 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccncn1 ZINC000427096574 191052464 /nfs/dbraw/zinc/05/24/64/191052464.db2.gz JDPCMPCLYKCIOT-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](N)C(F)(F)F ZINC000353429323 180118619 /nfs/dbraw/zinc/11/86/19/180118619.db2.gz PHKSKRSPBSGQSE-ZCFIWIBFSA-N 1 2 236.197 0.224 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](O)C1 ZINC000346200441 180119017 /nfs/dbraw/zinc/11/90/17/180119017.db2.gz RIIPWUDYBVWOQE-SECBINFHSA-N 1 2 223.276 0.244 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCOC1 ZINC000334156727 180119117 /nfs/dbraw/zinc/11/91/17/180119117.db2.gz ZHOHSPCSPQLIPB-NSHDSACASA-N 1 2 223.276 0.761 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCOC2 ZINC000330229630 180119947 /nfs/dbraw/zinc/11/99/47/180119947.db2.gz VYRWACKZDXLLSR-UHFFFAOYSA-N 1 2 249.314 0.900 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnn1C ZINC000331074330 180121230 /nfs/dbraw/zinc/12/12/30/180121230.db2.gz GNGNIKHOFNEYOZ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CNC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000604886847 350193939 /nfs/dbraw/zinc/19/39/39/350193939.db2.gz XTAQNQPTZNXJST-JTQLQIEISA-N 1 2 238.287 0.789 20 0 BCADLO CNC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000604886847 350193943 /nfs/dbraw/zinc/19/39/43/350193943.db2.gz XTAQNQPTZNXJST-JTQLQIEISA-N 1 2 238.287 0.789 20 0 BCADLO OC[C@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000363776024 191066360 /nfs/dbraw/zinc/06/63/60/191066360.db2.gz KTSRMGABFGOMBP-RKDXNWHRSA-N 1 2 233.271 0.495 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000332590283 180144913 /nfs/dbraw/zinc/14/49/13/180144913.db2.gz MXNHVTFCXFSLTL-SECBINFHSA-N 1 2 244.302 0.953 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000332590283 180144914 /nfs/dbraw/zinc/14/49/14/180144914.db2.gz MXNHVTFCXFSLTL-SECBINFHSA-N 1 2 244.302 0.953 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000074062926 490371390 /nfs/dbraw/zinc/37/13/90/490371390.db2.gz YNYLRACDXLALPG-JQWIXIFHSA-N 1 2 239.319 0.796 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000428292773 191076411 /nfs/dbraw/zinc/07/64/11/191076411.db2.gz CSRQDQXKIPRRPH-JQWIXIFHSA-N 1 2 247.335 0.705 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000532755888 323295276 /nfs/dbraw/zinc/29/52/76/323295276.db2.gz OLIAVPWKYZTZPG-LBPRGKRZSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000189618307 180194300 /nfs/dbraw/zinc/19/43/00/180194300.db2.gz YWZQOOKPVYFTHU-SCZZXKLOSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1nc(N2CC[C@@H](CO)[C@@H]2C)cc[nH+]1 ZINC000362669688 180194780 /nfs/dbraw/zinc/19/47/80/180194780.db2.gz UULLPYYMAQETKB-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637119874 350205804 /nfs/dbraw/zinc/20/58/04/350205804.db2.gz XAGFIGOSDKZFHZ-FXPVBKGRSA-N 1 2 234.303 0.906 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccn(C)c1 ZINC000428467852 191077844 /nfs/dbraw/zinc/07/78/44/191077844.db2.gz BJEQYVPZSBKDPH-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccn(C)c1 ZINC000428467852 191077847 /nfs/dbraw/zinc/07/78/47/191077847.db2.gz BJEQYVPZSBKDPH-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO Cc1nc(NCC2(O)CCOCC2)cc[nH+]1 ZINC000085016823 180197893 /nfs/dbraw/zinc/19/78/93/180197893.db2.gz AGHLBBZGRNYOFP-UHFFFAOYSA-N 1 2 223.276 0.738 20 0 BCADLO CCCCC(=O)NCC[NH+]1CCOCC1 ZINC000023379506 350208444 /nfs/dbraw/zinc/20/84/44/350208444.db2.gz WHIMLDBJPDWPFO-UHFFFAOYSA-N 1 2 214.309 0.625 20 0 BCADLO Cc1nc(N[C@@H](C)Cn2cncn2)cc[nH+]1 ZINC000266418358 180203073 /nfs/dbraw/zinc/20/30/73/180203073.db2.gz RQCGUSLRKFEPBD-QMMMGPOBSA-N 1 2 218.264 0.877 20 0 BCADLO Cc1nc(N[C@H]2CCS(=O)(=O)[C@H]2C)cc[nH+]1 ZINC000292650181 180208399 /nfs/dbraw/zinc/20/83/99/180208399.db2.gz GMYLLZISFLSEDI-CBAPKCEASA-N 1 2 241.316 0.773 20 0 BCADLO Cc1nccc(C[N@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000373603822 180183305 /nfs/dbraw/zinc/18/33/05/180183305.db2.gz LWETVDUAAQGQGS-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000373603822 180183307 /nfs/dbraw/zinc/18/33/07/180183307.db2.gz LWETVDUAAQGQGS-VIFPVBQESA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)n1 ZINC000352890721 180183976 /nfs/dbraw/zinc/18/39/76/180183976.db2.gz YWYGPDUIQCEXRW-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)n1 ZINC000352890721 180183978 /nfs/dbraw/zinc/18/39/78/180183978.db2.gz YWYGPDUIQCEXRW-XXFAHNHDSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncccc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303256 180212107 /nfs/dbraw/zinc/21/21/07/180212107.db2.gz TWTOVRRKRBOKGX-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO Cc1ncccc1C[NH+]1CC(N2CCNC2=O)C1 ZINC000336517650 180218860 /nfs/dbraw/zinc/21/88/60/180218860.db2.gz XEZSRUXCFICVKM-UHFFFAOYSA-N 1 2 246.314 0.599 20 0 BCADLO C[C@H](F)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637174085 350233631 /nfs/dbraw/zinc/23/36/31/350233631.db2.gz PXTZJGKEMPZPLI-IUCAKERBSA-N 1 2 240.282 0.855 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cnns2)CC1 ZINC000309249480 350234941 /nfs/dbraw/zinc/23/49/41/350234941.db2.gz DMCDSUDQJNMTCH-UHFFFAOYSA-N 1 2 241.316 0.923 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000107043469 538080560 /nfs/dbraw/zinc/08/05/60/538080560.db2.gz OHOKOHGWFUYUQM-SNVBAGLBSA-N 1 2 241.339 0.845 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000107043469 538080570 /nfs/dbraw/zinc/08/05/70/538080570.db2.gz OHOKOHGWFUYUQM-SNVBAGLBSA-N 1 2 241.339 0.845 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCn1cncn1 ZINC000309264515 350247017 /nfs/dbraw/zinc/24/70/17/350247017.db2.gz FADALLNRHKPGKS-UHFFFAOYSA-N 1 2 226.280 0.163 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCn1cncn1 ZINC000309264515 350247021 /nfs/dbraw/zinc/24/70/21/350247021.db2.gz FADALLNRHKPGKS-UHFFFAOYSA-N 1 2 226.280 0.163 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000429001332 191088244 /nfs/dbraw/zinc/08/82/44/191088244.db2.gz XVCJOOUBTQKCMT-LLVKDONJSA-N 1 2 222.292 0.868 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000429001332 191088247 /nfs/dbraw/zinc/08/82/47/191088247.db2.gz XVCJOOUBTQKCMT-LLVKDONJSA-N 1 2 222.292 0.868 20 0 BCADLO CC(=O)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606198602 350286434 /nfs/dbraw/zinc/28/64/34/350286434.db2.gz PAARHTUZSHOBFL-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO COCCCOC1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628306826 350261902 /nfs/dbraw/zinc/26/19/02/350261902.db2.gz XYFIVONEFCLLTO-UHFFFAOYSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1nsc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000083648336 350267809 /nfs/dbraw/zinc/26/78/09/350267809.db2.gz KKJWMZGOCIRBAX-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N2CC=CC2)c1 ZINC000637211108 350276765 /nfs/dbraw/zinc/27/67/65/350276765.db2.gz JZPRPIGNFPEFNC-UHFFFAOYSA-N 1 2 220.276 0.544 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000309317691 350306248 /nfs/dbraw/zinc/30/62/48/350306248.db2.gz GJKPXBLWUJKEPQ-LLVKDONJSA-N 1 2 223.276 0.257 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000563921076 323322497 /nfs/dbraw/zinc/32/24/97/323322497.db2.gz XCUZHCIUEYMMGD-UWVGGRQHSA-N 1 2 237.303 0.238 20 0 BCADLO Cc1ncncc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000329298870 180293117 /nfs/dbraw/zinc/29/31/17/180293117.db2.gz LQFWKVWSZGGVOM-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO Cc1nccnc1N[C@H](C)C[NH+]1CCOCC1 ZINC000214305331 180279323 /nfs/dbraw/zinc/27/93/23/180279323.db2.gz FMCBKJWNOKTGJM-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncnc1C ZINC000359476443 180295376 /nfs/dbraw/zinc/29/53/76/180295376.db2.gz BGHZBCNZOCYZCE-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000637237016 350322806 /nfs/dbraw/zinc/32/28/06/350322806.db2.gz RTYQZMONIKOGSU-LMLFDSFASA-N 1 2 246.314 0.906 20 0 BCADLO C[C@H](CCO)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621269238 350289812 /nfs/dbraw/zinc/28/98/12/350289812.db2.gz OLALSKRAWSNXEJ-ZCFIWIBFSA-N 1 2 249.274 0.240 20 0 BCADLO Cc1ncsc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735735 180316586 /nfs/dbraw/zinc/31/65/86/180316586.db2.gz LPBFNPPQZIUZEJ-QMMMGPOBSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C(N)=O)oc1C ZINC000069172174 350345428 /nfs/dbraw/zinc/34/54/28/350345428.db2.gz QBUOUUWCRUWMNU-SECBINFHSA-N 1 2 223.276 0.741 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]2C(N)=O)oc1C ZINC000069172174 350345430 /nfs/dbraw/zinc/34/54/30/350345430.db2.gz QBUOUUWCRUWMNU-SECBINFHSA-N 1 2 223.276 0.741 20 0 BCADLO Cc1ncoc1C(=O)NCCCn1cc[nH+]c1 ZINC000354375765 180298929 /nfs/dbraw/zinc/29/89/29/180298929.db2.gz CDXOELGPYNXPDQ-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO Cc1ncoc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000353956106 180300268 /nfs/dbraw/zinc/30/02/68/180300268.db2.gz QHUJJIVBQSWWGZ-QMMMGPOBSA-N 1 2 234.259 0.998 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@]12C[C@@H]1CCC2 ZINC000617207644 350360235 /nfs/dbraw/zinc/36/02/35/350360235.db2.gz XLXKEQDERWHSMA-ONGXEEELSA-N 1 2 205.261 0.942 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735735 180316585 /nfs/dbraw/zinc/31/65/85/180316585.db2.gz LPBFNPPQZIUZEJ-QMMMGPOBSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1[nH+]ccn1C ZINC000082261052 180334331 /nfs/dbraw/zinc/33/43/31/180334331.db2.gz RKZNZPVSAOGWJR-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC1(O)CCC1 ZINC000606611478 350390854 /nfs/dbraw/zinc/39/08/54/350390854.db2.gz INUBCTGLMZLXCF-UHFFFAOYSA-N 1 2 238.291 0.097 20 0 BCADLO CCc1cc(NCCNS(C)(=O)=O)nc[nH+]1 ZINC000040765125 350394499 /nfs/dbraw/zinc/39/44/99/350394499.db2.gz UBQMPBZKXNVJGR-UHFFFAOYSA-N 1 2 244.320 0.000 20 0 BCADLO CCc1cc(NCCC(=O)N(C)C)nc[nH+]1 ZINC000040765166 350395306 /nfs/dbraw/zinc/39/53/06/350395306.db2.gz MMXHRCUQYDCOBG-UHFFFAOYSA-N 1 2 222.292 0.929 20 0 BCADLO CN(CCCNc1cccc[nH+]1)S(C)(=O)=O ZINC000309442113 350454873 /nfs/dbraw/zinc/45/48/73/350454873.db2.gz IUZOGRRUDFDSRC-UHFFFAOYSA-N 1 2 243.332 0.775 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427996672 191105798 /nfs/dbraw/zinc/10/57/98/191105798.db2.gz ZTLSBKDHMQJMKK-IUCAKERBSA-N 1 2 223.276 0.349 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427996671 191105298 /nfs/dbraw/zinc/10/52/98/191105298.db2.gz ZTLSBKDHMQJMKK-DTWKUNHWSA-N 1 2 223.276 0.349 20 0 BCADLO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336759152 350503053 /nfs/dbraw/zinc/50/30/53/350503053.db2.gz ISZHZEUSNYGRRY-JGVFFNPUSA-N 1 2 226.280 0.558 20 0 BCADLO CCc1noc(C[N@H+](CCO)CCOC)n1 ZINC000122300192 362967135 /nfs/dbraw/zinc/96/71/35/362967135.db2.gz LXWORVCLKBCBQH-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO CCc1noc(C[N@@H+](CCO)CCOC)n1 ZINC000122300192 362967142 /nfs/dbraw/zinc/96/71/42/362967142.db2.gz LXWORVCLKBCBQH-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO CCC1(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637443297 350584409 /nfs/dbraw/zinc/58/44/09/350584409.db2.gz WSJVJBCJJCIIHE-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO CCC1(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637443297 350584411 /nfs/dbraw/zinc/58/44/11/350584411.db2.gz WSJVJBCJJCIIHE-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO CC[C@@H](NC(=O)Cc1ccnn1C)c1[nH]cc[nH+]1 ZINC000444366061 191112946 /nfs/dbraw/zinc/11/29/46/191112946.db2.gz DLWIYHVVXIZRPM-SNVBAGLBSA-N 1 2 247.302 0.953 20 0 BCADLO CC[C@H](O)[C@H](CC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577529609 365981164 /nfs/dbraw/zinc/98/11/64/365981164.db2.gz VMPKPKUOHSAHHH-QWRGUYRKSA-N 1 2 242.363 0.994 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606937323 350629370 /nfs/dbraw/zinc/62/93/70/350629370.db2.gz WVZLOHDPFDQCMD-YUMQZZPRSA-N 1 2 243.225 0.257 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606937323 350629372 /nfs/dbraw/zinc/62/93/72/350629372.db2.gz WVZLOHDPFDQCMD-YUMQZZPRSA-N 1 2 243.225 0.257 20 0 BCADLO CCCCS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000013947336 350652186 /nfs/dbraw/zinc/65/21/86/350652186.db2.gz WVSHDTRQSZKVQB-UHFFFAOYSA-N 1 2 234.365 0.754 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338290796 350676164 /nfs/dbraw/zinc/67/61/64/350676164.db2.gz RLRIQHAOOUXIKW-MNOVXSKESA-N 1 2 227.304 0.437 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338290796 350676166 /nfs/dbraw/zinc/67/61/66/350676166.db2.gz RLRIQHAOOUXIKW-MNOVXSKESA-N 1 2 227.304 0.437 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCOCCO ZINC000096832877 350682608 /nfs/dbraw/zinc/68/26/08/350682608.db2.gz NDHQDVAXMPJSBC-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1CCOCCO ZINC000096832877 350682612 /nfs/dbraw/zinc/68/26/12/350682612.db2.gz NDHQDVAXMPJSBC-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000096867333 350684358 /nfs/dbraw/zinc/68/43/58/350684358.db2.gz ZPTXHAFLBRFQOC-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000096867333 350684363 /nfs/dbraw/zinc/68/43/63/350684363.db2.gz ZPTXHAFLBRFQOC-ZETCQYMHSA-N 1 2 241.209 0.813 20 0 BCADLO CO[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000401705832 350756545 /nfs/dbraw/zinc/75/65/45/350756545.db2.gz DMTBWRJRFVYQDV-QMMMGPOBSA-N 1 2 211.265 0.114 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000051687479 350762160 /nfs/dbraw/zinc/76/21/60/350762160.db2.gz CHJYCLMGVWCGCD-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)N1CCCC1 ZINC000051687479 350762162 /nfs/dbraw/zinc/76/21/62/350762162.db2.gz CHJYCLMGVWCGCD-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000339588490 350766616 /nfs/dbraw/zinc/76/66/16/350766616.db2.gz ZKNAYWVFVKALDR-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000339588490 350766618 /nfs/dbraw/zinc/76/66/18/350766618.db2.gz ZKNAYWVFVKALDR-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)CO ZINC000339627617 350769200 /nfs/dbraw/zinc/76/92/00/350769200.db2.gz LZMRXFMXMIWWRO-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)CO ZINC000339627617 350769206 /nfs/dbraw/zinc/76/92/06/350769206.db2.gz LZMRXFMXMIWWRO-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1ncnn1CC(F)F)[C@@H](C)CO ZINC000339627944 350769591 /nfs/dbraw/zinc/76/95/91/350769591.db2.gz NXHFDPUPUHQCLW-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO CC[N@@H+](Cc1ncnn1CC(F)F)[C@@H](C)CO ZINC000339627944 350769595 /nfs/dbraw/zinc/76/95/95/350769595.db2.gz NXHFDPUPUHQCLW-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO CC(C)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339682613 350773682 /nfs/dbraw/zinc/77/36/82/350773682.db2.gz XDRPELAMNBHULJ-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC[C@@H](OC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339729153 350776749 /nfs/dbraw/zinc/77/67/49/350776749.db2.gz RSJNOBHMGBAUDI-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO Cc1nc(N(CC(N)=O)CC(C)C)cc[nH+]1 ZINC000165666146 191123566 /nfs/dbraw/zinc/12/35/66/191123566.db2.gz WHGCXRREOCEYRL-UHFFFAOYSA-N 1 2 222.292 0.733 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571177040 350866538 /nfs/dbraw/zinc/86/65/38/350866538.db2.gz INKWDCIUQOHECE-DTWKUNHWSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571177040 350866540 /nfs/dbraw/zinc/86/65/40/350866540.db2.gz INKWDCIUQOHECE-DTWKUNHWSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571177042 350866545 /nfs/dbraw/zinc/86/65/45/350866545.db2.gz INKWDCIUQOHECE-RKDXNWHRSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571177042 350866546 /nfs/dbraw/zinc/86/65/46/350866546.db2.gz INKWDCIUQOHECE-RKDXNWHRSA-N 1 2 225.292 0.428 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000637623285 350921137 /nfs/dbraw/zinc/92/11/37/350921137.db2.gz WQRMKUNLMOQQMA-NXEZZACHSA-N 1 2 238.291 0.397 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086759576 350929345 /nfs/dbraw/zinc/92/93/45/350929345.db2.gz XOYWUIOHEHNDEH-BDAKNGLRSA-N 1 2 223.276 0.793 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)NC(N)=O)s1 ZINC000052101277 350937056 /nfs/dbraw/zinc/93/70/56/350937056.db2.gz LWINGEOJEXLXGP-UHFFFAOYSA-N 1 2 242.304 0.078 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)NC(N)=O)s1 ZINC000052101277 350937059 /nfs/dbraw/zinc/93/70/59/350937059.db2.gz LWINGEOJEXLXGP-UHFFFAOYSA-N 1 2 242.304 0.078 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)NC(C)(C)CC ZINC000052188342 350961429 /nfs/dbraw/zinc/96/14/29/350961429.db2.gz GVJDXKYUEZAIAI-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)CC ZINC000052188342 350961432 /nfs/dbraw/zinc/96/14/32/350961432.db2.gz GVJDXKYUEZAIAI-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)OC)CC1 ZINC000052278606 350942338 /nfs/dbraw/zinc/94/23/38/350942338.db2.gz MDIOFXOFZFABMW-UHFFFAOYSA-N 1 2 216.281 0.407 20 0 BCADLO CC(C)N1CCC[C@H]([NH+]2CCOCC2)C1=O ZINC000177666424 366017724 /nfs/dbraw/zinc/01/77/24/366017724.db2.gz RHPXJVCTNXAFQE-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO Cc1[nH]c(CN(C[C@@H](O)CO)C(C)C)[nH+]c1C ZINC000628316116 351046625 /nfs/dbraw/zinc/04/66/25/351046625.db2.gz JOKNQJXMBAKFPT-LLVKDONJSA-N 1 2 241.335 0.590 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccnc1 ZINC000259212517 351069000 /nfs/dbraw/zinc/06/90/00/351069000.db2.gz JSQAPZJZKBQJCF-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1cccnc1 ZINC000259212517 351069004 /nfs/dbraw/zinc/06/90/04/351069004.db2.gz JSQAPZJZKBQJCF-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CCOc1cncc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000623578338 363011674 /nfs/dbraw/zinc/01/16/74/363011674.db2.gz CRQCVEICFMATGS-UHFFFAOYSA-N 1 2 233.275 0.888 20 0 BCADLO Cc1c[nH]c(CN2CCn3nncc3C2)[nH+]1 ZINC000628327049 351263781 /nfs/dbraw/zinc/26/37/81/351263781.db2.gz GONOJHVXYHJRGY-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1COCCO1 ZINC000265090249 351262802 /nfs/dbraw/zinc/26/28/02/351262802.db2.gz BDKBVFUZRIDFPF-NSHDSACASA-N 1 2 236.271 0.998 20 0 BCADLO CCc1nnc(C[N@H+](C)CCC(=O)NC)s1 ZINC000680050653 487527476 /nfs/dbraw/zinc/52/74/76/487527476.db2.gz CCENZNTXJUFIBM-UHFFFAOYSA-N 1 2 242.348 0.668 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCC(=O)NC)s1 ZINC000680050653 487527477 /nfs/dbraw/zinc/52/74/77/487527477.db2.gz CCENZNTXJUFIBM-UHFFFAOYSA-N 1 2 242.348 0.668 20 0 BCADLO CC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267361149 351308108 /nfs/dbraw/zinc/30/81/08/351308108.db2.gz IHYPHCDDYXXTTL-UHFFFAOYSA-N 1 2 208.265 0.089 20 0 BCADLO CC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267361149 351308113 /nfs/dbraw/zinc/30/81/13/351308113.db2.gz IHYPHCDDYXXTTL-UHFFFAOYSA-N 1 2 208.265 0.089 20 0 BCADLO CC(C)OCC(=O)NCCc1cn(C)c[nH+]1 ZINC000313300068 351320770 /nfs/dbraw/zinc/32/07/70/351320770.db2.gz NJLLGVOZQGLQLM-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000366791249 351347467 /nfs/dbraw/zinc/34/74/67/351347467.db2.gz CIFQTOBNIPNTQE-DBIOUOCHSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000366791249 351347469 /nfs/dbraw/zinc/34/74/69/351347469.db2.gz CIFQTOBNIPNTQE-DBIOUOCHSA-N 1 2 243.303 0.162 20 0 BCADLO C/C=C\CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000623600388 363038338 /nfs/dbraw/zinc/03/83/38/363038338.db2.gz LRDAJWBSELUCLD-WYGGZMRJSA-N 1 2 240.351 0.108 20 0 BCADLO C/C=C\CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000623600388 363038341 /nfs/dbraw/zinc/03/83/41/363038341.db2.gz LRDAJWBSELUCLD-WYGGZMRJSA-N 1 2 240.351 0.108 20 0 BCADLO CCN1CCN(CCn2cc[nH+]c2)CC1=O ZINC000273375360 351524734 /nfs/dbraw/zinc/52/47/34/351524734.db2.gz CJSOKQVXCFGSGW-UHFFFAOYSA-N 1 2 222.292 0.047 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cnn(C)c1 ZINC000088094403 351568365 /nfs/dbraw/zinc/56/83/65/351568365.db2.gz CFRINUVSMHTSES-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cnn(C)c1 ZINC000088094403 351568366 /nfs/dbraw/zinc/56/83/66/351568366.db2.gz CFRINUVSMHTSES-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1cc(N2C[C@H](CO)OC[C@@H]2C)nc[nH+]1 ZINC000088093980 351568371 /nfs/dbraw/zinc/56/83/71/351568371.db2.gz JRJPELULDCZOBR-VHSXEESVSA-N 1 2 223.276 0.371 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccnc1 ZINC000088094457 351597683 /nfs/dbraw/zinc/59/76/83/351597683.db2.gz BBMONUSWJPUEJS-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccnc1 ZINC000088094457 351597685 /nfs/dbraw/zinc/59/76/85/351597685.db2.gz BBMONUSWJPUEJS-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C2(CO)CC2)c[nH+]1 ZINC000617904378 351597858 /nfs/dbraw/zinc/59/78/58/351597858.db2.gz IHKVQXZUAPYWDT-ZETCQYMHSA-N 1 2 223.276 0.609 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000577671962 366033907 /nfs/dbraw/zinc/03/39/07/366033907.db2.gz COCIBSZUWSMKGX-VHSXEESVSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)Cn1cc[nH+]c1 ZINC000577672078 366034106 /nfs/dbraw/zinc/03/41/06/366034106.db2.gz ZGTVVHMNXMUUKI-SNVBAGLBSA-N 1 2 233.275 0.285 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCn2nccc21 ZINC000577759941 366056296 /nfs/dbraw/zinc/05/62/96/366056296.db2.gz GDAJSGNOOVGOQB-UHFFFAOYSA-N 1 2 231.259 0.586 20 0 BCADLO CCCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868926 351729017 /nfs/dbraw/zinc/72/90/17/351729017.db2.gz RDKWNZKPLCKITQ-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CC[C@](C)(CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577767177 366055984 /nfs/dbraw/zinc/05/59/84/366055984.db2.gz UXAFOGOHTIOTHQ-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@](C)(CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577767177 366055986 /nfs/dbraw/zinc/05/59/86/366055986.db2.gz UXAFOGOHTIOTHQ-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO CC[NH2+][C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000637906266 351776526 /nfs/dbraw/zinc/77/65/26/351776526.db2.gz SYUYBOSOTKWQAD-ZETCQYMHSA-N 1 2 233.275 0.894 20 0 BCADLO CCN1CCN(Cc2cc[nH+]c(N)c2)CC1=O ZINC000278946930 351791205 /nfs/dbraw/zinc/79/12/05/351791205.db2.gz YHPPLNQXTUGZCW-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO COCCc1ncc(C[N@H+](C)CC(N)=O)s1 ZINC000637893048 351762222 /nfs/dbraw/zinc/76/22/22/351762222.db2.gz GCPZMUUWSKDVGG-UHFFFAOYSA-N 1 2 243.332 0.249 20 0 BCADLO COCCc1ncc(C[N@@H+](C)CC(N)=O)s1 ZINC000637893048 351762225 /nfs/dbraw/zinc/76/22/25/351762225.db2.gz GCPZMUUWSKDVGG-UHFFFAOYSA-N 1 2 243.332 0.249 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000637953615 351830479 /nfs/dbraw/zinc/83/04/79/351830479.db2.gz OUYKNTUCWWRGDP-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000637953615 351830482 /nfs/dbraw/zinc/83/04/82/351830482.db2.gz OUYKNTUCWWRGDP-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)n1C ZINC000124566526 191143084 /nfs/dbraw/zinc/14/30/84/191143084.db2.gz MHQMKHWKGZULJC-LBPRGKRZSA-N 1 2 238.335 0.724 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@](C)(O)C2)n1C ZINC000124566526 191143086 /nfs/dbraw/zinc/14/30/86/191143086.db2.gz MHQMKHWKGZULJC-LBPRGKRZSA-N 1 2 238.335 0.724 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000637988424 351863329 /nfs/dbraw/zinc/86/33/29/351863329.db2.gz ARVVEBNPOMXHJI-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000637988424 351863331 /nfs/dbraw/zinc/86/33/31/351863331.db2.gz ARVVEBNPOMXHJI-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C(=O)NCCN1[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000637989101 351864491 /nfs/dbraw/zinc/86/44/91/351864491.db2.gz GWQSHFUUUQUJNT-MWLCHTKSSA-N 1 2 248.330 0.692 20 0 BCADLO CC[N@H+](Cc1cncn1C)[C@@H]1CCNC1=O ZINC000281973661 351919286 /nfs/dbraw/zinc/91/92/86/351919286.db2.gz VUWLVCDAPCZMKT-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1cncn1C)[C@@H]1CCNC1=O ZINC000281973661 351919289 /nfs/dbraw/zinc/91/92/89/351919289.db2.gz VUWLVCDAPCZMKT-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CCN1CC[N@H+](CCc2ccnn2C)CC1=O ZINC000284427067 351997158 /nfs/dbraw/zinc/99/71/58/351997158.db2.gz PACBZJNFQQTMSU-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO CCN1CC[N@@H+](CCc2ccnn2C)CC1=O ZINC000284427067 351997160 /nfs/dbraw/zinc/99/71/60/351997160.db2.gz PACBZJNFQQTMSU-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO C[N@H+](Cc1ccns1)[C@@H]1CCNC1=O ZINC000638180357 352043858 /nfs/dbraw/zinc/04/38/58/352043858.db2.gz CIOJFCFYQRGYEZ-MRVPVSSYSA-N 1 2 211.290 0.463 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@@H]1CCNC1=O ZINC000638180357 352043861 /nfs/dbraw/zinc/04/38/61/352043861.db2.gz CIOJFCFYQRGYEZ-MRVPVSSYSA-N 1 2 211.290 0.463 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340217403 352069407 /nfs/dbraw/zinc/06/94/07/352069407.db2.gz CBHDEDHIOQMETF-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340217403 352069409 /nfs/dbraw/zinc/06/94/09/352069409.db2.gz CBHDEDHIOQMETF-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO Cc1cnc(C[NH2+]CCNC(=O)C(C)C)o1 ZINC000638297671 352130134 /nfs/dbraw/zinc/13/01/34/352130134.db2.gz ISONVEAVNBUJPB-UHFFFAOYSA-N 1 2 225.292 0.845 20 0 BCADLO CCc1nc(N(CC)CC(N)=O)cc(C)[nH+]1 ZINC000287792301 352134851 /nfs/dbraw/zinc/13/48/51/352134851.db2.gz OWOCNDVUDWLWRL-UHFFFAOYSA-N 1 2 222.292 0.659 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnns2)[C@@H](C)C1 ZINC000288378387 352146695 /nfs/dbraw/zinc/14/66/95/352146695.db2.gz KECWWUCPJYVICS-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnns2)[C@@H](C)C1 ZINC000288378387 352146698 /nfs/dbraw/zinc/14/66/98/352146698.db2.gz KECWWUCPJYVICS-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO Cn1ccc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000267265808 180696707 /nfs/dbraw/zinc/69/67/07/180696707.db2.gz YCMCZJRUUAKQDS-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO CCc1ccc(C[N@H+](C)CC(=O)NC)nc1 ZINC000411165955 191166436 /nfs/dbraw/zinc/16/64/36/191166436.db2.gz QYZQOTHSSFIEJJ-UHFFFAOYSA-N 1 2 221.304 0.822 20 0 BCADLO CCc1ccc(C[N@@H+](C)CC(=O)NC)nc1 ZINC000411165955 191166440 /nfs/dbraw/zinc/16/64/40/191166440.db2.gz QYZQOTHSSFIEJJ-UHFFFAOYSA-N 1 2 221.304 0.822 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@H]1CCNC1=O ZINC000411185417 191167343 /nfs/dbraw/zinc/16/73/43/191167343.db2.gz WLXGUEGRMPDMFS-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@H]1CCNC1=O ZINC000411185417 191167346 /nfs/dbraw/zinc/16/73/46/191167346.db2.gz WLXGUEGRMPDMFS-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCOC(=O)CN(Cc1cn(C)c[nH+]1)C1CC1 ZINC000618904136 352331001 /nfs/dbraw/zinc/33/10/01/352331001.db2.gz PMWJBFBIXWNLSS-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)C1(C)CN(c2cc[nH+]c(C)n2)C1 ZINC000425287530 191177202 /nfs/dbraw/zinc/17/72/02/191177202.db2.gz VWUHDDZDUFVMSG-UHFFFAOYSA-N 1 2 221.260 0.784 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411517868 191191477 /nfs/dbraw/zinc/19/14/77/191191477.db2.gz HCVYEFFZAHJESL-GUBZILKMSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411528513 191190897 /nfs/dbraw/zinc/19/08/97/191190897.db2.gz HCVYEFFZAHJESL-IVZWLZJFSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000411611840 191196970 /nfs/dbraw/zinc/19/69/70/191196970.db2.gz ZRJAVKXPXYNBOW-OAHLLOKOSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000411611840 191196972 /nfs/dbraw/zinc/19/69/72/191196972.db2.gz ZRJAVKXPXYNBOW-OAHLLOKOSA-N 1 2 233.333 0.392 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000411666402 191203817 /nfs/dbraw/zinc/20/38/17/191203817.db2.gz HVNCVMXKTNMYRQ-APPZFPTMSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000411666402 191203819 /nfs/dbraw/zinc/20/38/19/191203819.db2.gz HVNCVMXKTNMYRQ-APPZFPTMSA-N 1 2 224.308 0.877 20 0 BCADLO COC[C@H](C)[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000411565286 191193635 /nfs/dbraw/zinc/19/36/35/191193635.db2.gz GNKPAZKMEZUUQQ-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO COC[C@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000411565286 191193637 /nfs/dbraw/zinc/19/36/37/191193637.db2.gz GNKPAZKMEZUUQQ-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC[C@@](COC)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411813998 191212677 /nfs/dbraw/zinc/21/26/77/191212677.db2.gz GDCWBAWYQWRRFM-ONGXEEELSA-N 1 2 233.308 0.315 20 0 BCADLO CCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000608019249 352608271 /nfs/dbraw/zinc/60/82/71/352608271.db2.gz VCXPMHCNKXZHAP-UHFFFAOYSA-N 1 2 232.349 0.506 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411961464 191234132 /nfs/dbraw/zinc/23/41/32/191234132.db2.gz ZWJFLOJUQVYTGY-RYUDHWBXSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411961464 191234134 /nfs/dbraw/zinc/23/41/34/191234134.db2.gz ZWJFLOJUQVYTGY-RYUDHWBXSA-N 1 2 235.283 0.967 20 0 BCADLO CO[C@@](C)([C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000411967866 191235087 /nfs/dbraw/zinc/23/50/87/191235087.db2.gz IVZMMGWNNXWPJB-HQJQHLMTSA-N 1 2 240.307 0.804 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)o1 ZINC000638761599 352698499 /nfs/dbraw/zinc/69/84/99/352698499.db2.gz FTKISTOFUDAYKR-MNOVXSKESA-N 1 2 239.319 0.792 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OC ZINC000113164388 352677941 /nfs/dbraw/zinc/67/79/41/352677941.db2.gz ZOSUOMLILVXERW-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000151360923 352755033 /nfs/dbraw/zinc/75/50/33/352755033.db2.gz VLSAFAUILHPFMS-RKDXNWHRSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000151360744 352755124 /nfs/dbraw/zinc/75/51/24/352755124.db2.gz VLSAFAUILHPFMS-IUCAKERBSA-N 1 2 217.309 0.935 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000334213441 352811911 /nfs/dbraw/zinc/81/19/11/352811911.db2.gz FZPDHRHRHUGIQL-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000334213441 352811915 /nfs/dbraw/zinc/81/19/15/352811915.db2.gz FZPDHRHRHUGIQL-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@@H](C)S1 ZINC000334219970 352822104 /nfs/dbraw/zinc/82/21/04/352822104.db2.gz QYRFSSCJBVDSFH-HTQZYQBOSA-N 1 2 242.348 0.434 20 0 BCADLO C[N@H+](Cc1cncc(F)c1)[C@@H]1CCNC1=O ZINC000334191885 352782935 /nfs/dbraw/zinc/78/29/35/352782935.db2.gz JXSRUVCWDDOXMC-SNVBAGLBSA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1cncc(F)c1)[C@@H]1CCNC1=O ZINC000334191885 352782937 /nfs/dbraw/zinc/78/29/37/352782937.db2.gz JXSRUVCWDDOXMC-SNVBAGLBSA-N 1 2 223.251 0.541 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000334204280 352798695 /nfs/dbraw/zinc/79/86/95/352798695.db2.gz VRWZCLFNRXTZIR-VHSXEESVSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000334204280 352798697 /nfs/dbraw/zinc/79/86/97/352798697.db2.gz VRWZCLFNRXTZIR-VHSXEESVSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)c2cnns2)CC1 ZINC000299091283 187865173 /nfs/dbraw/zinc/86/51/73/187865173.db2.gz UCTBNNCYFHYMCL-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334235996 352853546 /nfs/dbraw/zinc/85/35/46/352853546.db2.gz HPUZLSPMHQLZAI-GHMZBOCLSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334235996 352853551 /nfs/dbraw/zinc/85/35/51/352853551.db2.gz HPUZLSPMHQLZAI-GHMZBOCLSA-N 1 2 239.363 0.632 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412084508 191255377 /nfs/dbraw/zinc/25/53/77/191255377.db2.gz MMRHKHIRPNFKOK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412084508 191255379 /nfs/dbraw/zinc/25/53/79/191255379.db2.gz MMRHKHIRPNFKOK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1c[nH+]c(CN2CC[S@](=O)[C@H](C)C2)n1C ZINC000342807938 352861367 /nfs/dbraw/zinc/86/13/67/352861367.db2.gz QHUKKZDOOMYOSU-HWPZZCPQSA-N 1 2 241.360 0.681 20 0 BCADLO Cc1c[nH+]c(CN2CC[S@](=O)[C@@H](C)C2)n1C ZINC000342807940 352861444 /nfs/dbraw/zinc/86/14/44/352861444.db2.gz QHUKKZDOOMYOSU-QFYYESIMSA-N 1 2 241.360 0.681 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCC1 ZINC000334258578 352869804 /nfs/dbraw/zinc/86/98/04/352869804.db2.gz SDLSABXGCPFYGU-NEPJUHHUSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCC1 ZINC000334258578 352869808 /nfs/dbraw/zinc/86/98/08/352869808.db2.gz SDLSABXGCPFYGU-NEPJUHHUSA-N 1 2 238.331 0.862 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334274768 352911224 /nfs/dbraw/zinc/91/12/24/352911224.db2.gz LXXYZJVHQWUEBA-QMMMGPOBSA-N 1 2 237.303 0.808 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334274768 352911226 /nfs/dbraw/zinc/91/12/26/352911226.db2.gz LXXYZJVHQWUEBA-QMMMGPOBSA-N 1 2 237.303 0.808 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(OC)c1 ZINC000342859956 352878752 /nfs/dbraw/zinc/87/87/52/352878752.db2.gz MKIMINHUPZVAIA-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(OC)c1 ZINC000342859956 352878753 /nfs/dbraw/zinc/87/87/53/352878753.db2.gz MKIMINHUPZVAIA-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ncc(C)n1C ZINC000342864297 352881645 /nfs/dbraw/zinc/88/16/45/352881645.db2.gz VRIQBRUKCAGLEM-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ncc(C)n1C ZINC000342864297 352881649 /nfs/dbraw/zinc/88/16/49/352881649.db2.gz VRIQBRUKCAGLEM-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CCN(CCOCCO)Cc1[nH+]cc(C)n1C ZINC000342864297 352881652 /nfs/dbraw/zinc/88/16/52/352881652.db2.gz VRIQBRUKCAGLEM-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC(C)(C(=O)N1CC(F)C1)[NH+]1CCOCC1 ZINC000334254477 352892031 /nfs/dbraw/zinc/89/20/31/352892031.db2.gz XYDFDSOGJWUTDG-UHFFFAOYSA-N 1 2 230.283 0.278 20 0 BCADLO CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000334261198 352894253 /nfs/dbraw/zinc/89/42/53/352894253.db2.gz XRLWXMQQCJJYNG-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@]2(C)CO)c[nH+]1 ZINC000334266293 352901740 /nfs/dbraw/zinc/90/17/40/352901740.db2.gz NKGBUVVDVLUSLN-JQWIXIFHSA-N 1 2 237.303 0.999 20 0 BCADLO Cc1cccc2[nH+]cc(CN3CCNC(=O)C3)n21 ZINC000334331317 352967678 /nfs/dbraw/zinc/96/76/78/352967678.db2.gz LCOXNIYEEDYTED-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C2(C(C)=O)CC2)[C@@H](C)C1 ZINC000334332435 352969376 /nfs/dbraw/zinc/96/93/76/352969376.db2.gz QRGTZDCIEHBUJZ-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)C2(C(C)=O)CC2)[C@@H](C)C1 ZINC000334332435 352969379 /nfs/dbraw/zinc/96/93/79/352969379.db2.gz QRGTZDCIEHBUJZ-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000638853188 353024532 /nfs/dbraw/zinc/02/45/32/353024532.db2.gz AVFXQROPZSEHCI-LURJTMIESA-N 1 2 212.278 0.319 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000334360887 353009855 /nfs/dbraw/zinc/00/98/55/353009855.db2.gz IIHMDEWOHHOZIK-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334397048 353070835 /nfs/dbraw/zinc/07/08/35/353070835.db2.gz CKJXZIZWWWZBED-JTQLQIEISA-N 1 2 219.288 0.972 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335567129 535197629 /nfs/dbraw/zinc/19/76/29/535197629.db2.gz YVKMZLFCNMCWBA-VIFPVBQESA-N 1 2 235.287 0.039 20 0 BCADLO O=C(NCCF)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000369714070 188073777 /nfs/dbraw/zinc/07/37/77/188073777.db2.gz XNLPPHFWNKXRMB-LLVKDONJSA-N 1 2 244.310 0.573 20 0 BCADLO O=C(NCCF)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000369714070 188073779 /nfs/dbraw/zinc/07/37/79/188073779.db2.gz XNLPPHFWNKXRMB-LLVKDONJSA-N 1 2 244.310 0.573 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374159225 188076518 /nfs/dbraw/zinc/07/65/18/188076518.db2.gz LVTHFVACNOGSQM-AXTRIDKLSA-N 1 2 248.330 0.817 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374159231 188076734 /nfs/dbraw/zinc/07/67/34/188076734.db2.gz LVTHFVACNOGSQM-XXILOJSOSA-N 1 2 248.330 0.817 20 0 BCADLO CC(C)[C@H](C)[NH2+]N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377036373 188078783 /nfs/dbraw/zinc/07/87/83/188078783.db2.gz YXMINMQDALYIFC-GARJFASQSA-N 1 2 246.376 0.654 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)C[C@H]1CCCO1 ZINC000330416029 353171361 /nfs/dbraw/zinc/17/13/61/353171361.db2.gz BXZFVIOVTZAHEW-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@H+](Cc1nnnn1C)C[C@H]1CCCO1 ZINC000330416029 353171363 /nfs/dbraw/zinc/17/13/63/353171363.db2.gz BXZFVIOVTZAHEW-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000332461796 188101285 /nfs/dbraw/zinc/10/12/85/188101285.db2.gz JAHJFXDWPXVWNM-LBPRGKRZSA-N 1 2 244.335 0.173 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000332461796 188101286 /nfs/dbraw/zinc/10/12/86/188101286.db2.gz JAHJFXDWPXVWNM-LBPRGKRZSA-N 1 2 244.335 0.173 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(=O)[nH]c1 ZINC000638976777 353181810 /nfs/dbraw/zinc/18/18/10/353181810.db2.gz LKSNRHWJUUXZDG-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(=O)[nH]c1 ZINC000638976777 353181813 /nfs/dbraw/zinc/18/18/13/353181813.db2.gz LKSNRHWJUUXZDG-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO CC(C)CNC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330780723 353182448 /nfs/dbraw/zinc/18/24/48/353182448.db2.gz NVCNLIIVNFILKD-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330835052 353184835 /nfs/dbraw/zinc/18/48/35/353184835.db2.gz KFBYWPFUFPNNBP-SNVBAGLBSA-N 1 2 246.376 0.168 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330835052 353184836 /nfs/dbraw/zinc/18/48/36/353184836.db2.gz KFBYWPFUFPNNBP-SNVBAGLBSA-N 1 2 246.376 0.168 20 0 BCADLO CC(C)[C@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093054949 188145591 /nfs/dbraw/zinc/14/55/91/188145591.db2.gz XROPDNGBWPZWEK-JTQLQIEISA-N 1 2 222.292 0.366 20 0 BCADLO CC(C)[C@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093054949 188145592 /nfs/dbraw/zinc/14/55/92/188145592.db2.gz XROPDNGBWPZWEK-JTQLQIEISA-N 1 2 222.292 0.366 20 0 BCADLO FC(F)(F)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000335848195 180883752 /nfs/dbraw/zinc/88/37/52/180883752.db2.gz KQRKDXRIXYHHPN-VIFPVBQESA-N 1 2 238.253 0.955 20 0 BCADLO Cc1cnc(C(=O)N(C)Cc2[nH+]ccn2C)cn1 ZINC000049087012 188125064 /nfs/dbraw/zinc/12/50/64/188125064.db2.gz IWZQBTHJUVFXPR-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO CCN1CCN(CC(N)=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000331009515 353212164 /nfs/dbraw/zinc/21/21/64/353212164.db2.gz VAZCKYZGMXBMKO-VIFPVBQESA-N 1 2 237.307 0.624 20 0 BCADLO OCCC[N@H+](CCO)C/C(Cl)=C/Cl ZINC000127247682 188143159 /nfs/dbraw/zinc/14/31/59/188143159.db2.gz NXTLOPFFZLYUNS-VURMDHGXSA-N 1 2 228.119 0.982 20 0 BCADLO OCCC[N@@H+](CCO)C/C(Cl)=C/Cl ZINC000127247682 188143160 /nfs/dbraw/zinc/14/31/60/188143160.db2.gz NXTLOPFFZLYUNS-VURMDHGXSA-N 1 2 228.119 0.982 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000362310173 188162443 /nfs/dbraw/zinc/16/24/43/188162443.db2.gz XDNGTKPDVIOSSR-UHFFFAOYSA-N 1 2 246.310 0.942 20 0 BCADLO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000309820107 188169232 /nfs/dbraw/zinc/16/92/32/188169232.db2.gz WBMKYUPDTMBQLE-SECBINFHSA-N 1 2 222.292 0.557 20 0 BCADLO CCCC[N@@H+]1CCO[C@H](C[NH+](C)CC(=O)[O-])C1 ZINC000364014501 188171147 /nfs/dbraw/zinc/17/11/47/188171147.db2.gz VAADWZYGHVLPBL-LLVKDONJSA-N 1 2 244.335 0.504 20 0 BCADLO CCCC[N@H+]1CCO[C@H](C[NH+](C)CC(=O)[O-])C1 ZINC000364014501 188171148 /nfs/dbraw/zinc/17/11/48/188171148.db2.gz VAADWZYGHVLPBL-LLVKDONJSA-N 1 2 244.335 0.504 20 0 BCADLO CCCC[NH+]1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000364014501 188171150 /nfs/dbraw/zinc/17/11/50/188171150.db2.gz VAADWZYGHVLPBL-LLVKDONJSA-N 1 2 244.335 0.504 20 0 BCADLO CCCC[NH+]1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000364014501 188171152 /nfs/dbraw/zinc/17/11/52/188171152.db2.gz VAADWZYGHVLPBL-LLVKDONJSA-N 1 2 244.335 0.504 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000339912904 188193077 /nfs/dbraw/zinc/19/30/77/188193077.db2.gz ZUCNKXKJHSQSMI-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000267771160 188196067 /nfs/dbraw/zinc/19/60/67/188196067.db2.gz LCRZTSXXJTXRMB-GFCCVEGCSA-N 1 2 248.286 0.641 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)NC2(CCCC2)C1=O ZINC000267744154 188196623 /nfs/dbraw/zinc/19/66/23/188196623.db2.gz GIRLKQTXRUSBFB-UHFFFAOYSA-N 1 2 248.286 0.785 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622364 188189758 /nfs/dbraw/zinc/18/97/58/188189758.db2.gz BNNVPUVQYBONDR-JQWIXIFHSA-N 1 2 246.326 0.648 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622364 188189760 /nfs/dbraw/zinc/18/97/60/188189760.db2.gz BNNVPUVQYBONDR-JQWIXIFHSA-N 1 2 246.326 0.648 20 0 BCADLO c1snnc1C[NH2+]CC1=CCCOC1 ZINC000308505909 188192267 /nfs/dbraw/zinc/19/22/67/188192267.db2.gz IPWCAVBDCGFIIE-UHFFFAOYSA-N 1 2 211.290 0.974 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)CCCO ZINC000300781845 188215885 /nfs/dbraw/zinc/21/58/85/188215885.db2.gz FXPHATJWIQNLBW-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)CCCO ZINC000300781845 188215887 /nfs/dbraw/zinc/21/58/87/188215887.db2.gz FXPHATJWIQNLBW-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO O=C(NCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC000366725875 188217460 /nfs/dbraw/zinc/21/74/60/188217460.db2.gz IIKWVEAFIVIDJD-QMMMGPOBSA-N 1 2 211.240 0.531 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)CCO ZINC000331047193 188220027 /nfs/dbraw/zinc/22/00/27/188220027.db2.gz GULSAIKVBOJTQR-UHFFFAOYSA-N 1 2 239.319 0.630 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000276632312 188202129 /nfs/dbraw/zinc/20/21/29/188202129.db2.gz SZIRQQGSZHLWBD-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N(CC2CC2)C1 ZINC000279040675 188203955 /nfs/dbraw/zinc/20/39/55/188203955.db2.gz JGFYLPWQXMONDH-UHFFFAOYSA-N 1 2 234.303 0.432 20 0 BCADLO CC1(C)SC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000283514760 188207527 /nfs/dbraw/zinc/20/75/27/188207527.db2.gz ZTMPDXXMKUSAQX-MRVPVSSYSA-N 1 2 225.317 0.893 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134569181 538113258 /nfs/dbraw/zinc/11/32/58/538113258.db2.gz HAMBWKILDUFFAK-PSASIEDQSA-N 1 2 227.308 0.766 20 0 BCADLO CC(C)[C@H](NC(=O)c1cn(C)nn1)c1[nH]cc[nH+]1 ZINC000289222537 188210566 /nfs/dbraw/zinc/21/05/66/188210566.db2.gz ABWJHQOJTQGACP-VIFPVBQESA-N 1 2 248.290 0.665 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000291504414 188211750 /nfs/dbraw/zinc/21/17/50/188211750.db2.gz VZDNUFISFIENOF-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000135010591 538114455 /nfs/dbraw/zinc/11/44/55/538114455.db2.gz RDJIXABMKIEHPQ-UHFFFAOYSA-N 1 2 245.286 0.344 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+](C)C1CC(O)C1 ZINC000331741968 188226369 /nfs/dbraw/zinc/22/63/69/188226369.db2.gz BAPUOPZPNJKQSC-UHFFFAOYSA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+](C)C1CC(O)C1 ZINC000331741968 188226371 /nfs/dbraw/zinc/22/63/71/188226371.db2.gz BAPUOPZPNJKQSC-UHFFFAOYSA-N 1 2 238.335 0.889 20 0 BCADLO CCn1nc(C)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135481994 538115418 /nfs/dbraw/zinc/11/54/18/538115418.db2.gz BYFLQUMFQHLMNU-UHFFFAOYSA-N 1 2 247.302 0.907 20 0 BCADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccon1 ZINC000639046730 353337534 /nfs/dbraw/zinc/33/75/34/353337534.db2.gz GXNCYGXWLXAKPG-UHFFFAOYSA-N 1 2 232.305 0.587 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCC1=O ZINC000253289916 353328840 /nfs/dbraw/zinc/32/88/40/353328840.db2.gz PIPXCNFIDOASPB-IUCAKERBSA-N 1 2 210.277 0.128 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCC1=O ZINC000253289916 353328845 /nfs/dbraw/zinc/32/88/45/353328845.db2.gz PIPXCNFIDOASPB-IUCAKERBSA-N 1 2 210.277 0.128 20 0 BCADLO OCC(F)(F)C[NH2+]C1CC(n2cccn2)C1 ZINC000639053382 353355212 /nfs/dbraw/zinc/35/52/12/353355212.db2.gz HGMYCZKQSFFUEE-UHFFFAOYSA-N 1 2 231.246 0.804 20 0 BCADLO C[C@H](CO)CCCNC(=O)CCn1cc[nH+]c1 ZINC000230271791 353483790 /nfs/dbraw/zinc/48/37/90/353483790.db2.gz SLGKGKALEQNALG-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO CC[N@H+](CC(N)=O)[C@@H](C)c1cnc(C)nc1C ZINC000639099651 353510522 /nfs/dbraw/zinc/51/05/22/353510522.db2.gz WGBNXZUFNUOXFL-VIFPVBQESA-N 1 2 236.319 0.962 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@@H](C)c1cnc(C)nc1C ZINC000639099651 353510524 /nfs/dbraw/zinc/51/05/24/353510524.db2.gz WGBNXZUFNUOXFL-VIFPVBQESA-N 1 2 236.319 0.962 20 0 BCADLO CC[NH+]1CCN(C(=O)C(=O)N(C)C(C)C)CC1 ZINC000334514373 353584809 /nfs/dbraw/zinc/58/48/09/353584809.db2.gz XIQYWGXKUFXYKX-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO Cc1cc(N2CC[C@@H](O)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000399008758 353586856 /nfs/dbraw/zinc/58/68/56/353586856.db2.gz WAUFQNOUDGRQAD-WCQYABFASA-N 1 2 247.298 0.441 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193488518 353595060 /nfs/dbraw/zinc/59/50/60/353595060.db2.gz VUUOLVRBDYYJRN-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193488518 353595064 /nfs/dbraw/zinc/59/50/64/353595064.db2.gz VUUOLVRBDYYJRN-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C)c2cn[nH]c2)[nH]1 ZINC000336779925 353561652 /nfs/dbraw/zinc/56/16/52/353561652.db2.gz PVLASDCAEBUGSV-ZETCQYMHSA-N 1 2 220.280 0.941 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)C(N)=O ZINC000192682443 353563367 /nfs/dbraw/zinc/56/33/67/353563367.db2.gz YLNZDVZHPAFICJ-RNFRBKRXSA-N 1 2 240.307 0.892 20 0 BCADLO CC[N@H+](CC(N)=O)[C@@H]1CCCN(C(C)C)C1=O ZINC000192810543 353569921 /nfs/dbraw/zinc/56/99/21/353569921.db2.gz GMXLCDAWUPFFCW-SNVBAGLBSA-N 1 2 241.335 0.193 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@@H]1CCCN(C(C)C)C1=O ZINC000192810543 353569923 /nfs/dbraw/zinc/56/99/23/353569923.db2.gz GMXLCDAWUPFFCW-SNVBAGLBSA-N 1 2 241.335 0.193 20 0 BCADLO COCC[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000517731369 324176681 /nfs/dbraw/zinc/17/66/81/324176681.db2.gz QLJALOPUVOQHBB-CBAPKCEASA-N 1 2 243.332 0.684 20 0 BCADLO Cn1cnnc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189873850 353694178 /nfs/dbraw/zinc/69/41/78/353694178.db2.gz RATNANPXHJDRRS-UHFFFAOYSA-N 1 2 224.308 0.550 20 0 BCADLO Cn1cnnc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189873850 353694180 /nfs/dbraw/zinc/69/41/80/353694180.db2.gz RATNANPXHJDRRS-UHFFFAOYSA-N 1 2 224.308 0.550 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000178193001 366102572 /nfs/dbraw/zinc/10/25/72/366102572.db2.gz JBJWBNKSNYUUGD-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO Cc1occc1C[N@H+](C)[C@H]1CCNC1=O ZINC000178193001 366102579 /nfs/dbraw/zinc/10/25/79/366102579.db2.gz JBJWBNKSNYUUGD-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO CC(C)c1nnc(C[N@H+](CCO)C2CC2)n1C ZINC000195079843 353720018 /nfs/dbraw/zinc/72/00/18/353720018.db2.gz SXDUTOZZJOVLPP-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@@H+](CCO)C2CC2)n1C ZINC000195079843 353720019 /nfs/dbraw/zinc/72/00/19/353720019.db2.gz SXDUTOZZJOVLPP-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO COC[C@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000308954267 353725876 /nfs/dbraw/zinc/72/58/76/353725876.db2.gz QATIOLMPEVVRAM-BDAKNGLRSA-N 1 2 219.281 0.047 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[S@]1=O ZINC000353822844 353809267 /nfs/dbraw/zinc/80/92/67/353809267.db2.gz USBKVQYRIZSYNQ-RMLUDKJBSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[S@]1=O ZINC000353822844 353809271 /nfs/dbraw/zinc/80/92/71/353809271.db2.gz USBKVQYRIZSYNQ-RMLUDKJBSA-N 1 2 213.306 0.363 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1nccc(N)n1)C(N)=O ZINC000135185114 188514208 /nfs/dbraw/zinc/51/42/08/188514208.db2.gz MPJCWBWOFUMWAU-SECBINFHSA-N 1 2 237.307 0.048 20 0 BCADLO COCCN1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000580346930 353815548 /nfs/dbraw/zinc/81/55/48/353815548.db2.gz FADWNFIUNMDARQ-LLVKDONJSA-N 1 2 236.319 0.287 20 0 BCADLO CO[C@@]1(CNc2ccc(CO)c[nH+]2)CCOC1 ZINC000639132617 353841781 /nfs/dbraw/zinc/84/17/81/353841781.db2.gz RKEOUETYFNSLMO-GFCCVEGCSA-N 1 2 238.287 0.791 20 0 BCADLO Cn1ncnc1CNc1ccc(CO)c[nH+]1 ZINC000639132365 353842021 /nfs/dbraw/zinc/84/20/21/353842021.db2.gz MWCUZTLJVRLRAD-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CC1(F)F ZINC000639133467 353843226 /nfs/dbraw/zinc/84/32/26/353843226.db2.gz NRDFDDHCUGBRBW-NTSWFWBYSA-N 1 2 217.223 0.343 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](C)N1C ZINC000334530722 353908796 /nfs/dbraw/zinc/90/87/96/353908796.db2.gz QDLXHOVSPSKFGN-PHIMTYICSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](C)N1C ZINC000334530722 353908799 /nfs/dbraw/zinc/90/87/99/353908799.db2.gz QDLXHOVSPSKFGN-PHIMTYICSA-N 1 2 239.363 0.632 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000334532581 353911973 /nfs/dbraw/zinc/91/19/73/353911973.db2.gz CEDSNLKZGXCHKA-UHFFFAOYSA-N 1 2 248.330 0.833 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000334532581 353911977 /nfs/dbraw/zinc/91/19/77/353911977.db2.gz CEDSNLKZGXCHKA-UHFFFAOYSA-N 1 2 248.330 0.833 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000343542014 353917076 /nfs/dbraw/zinc/91/70/76/353917076.db2.gz TYBWEIZWNPFKGA-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CC[C@@H](OC)C2)n1 ZINC000343542014 353917077 /nfs/dbraw/zinc/91/70/77/353917077.db2.gz TYBWEIZWNPFKGA-DTWKUNHWSA-N 1 2 241.291 0.998 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000343639585 353951249 /nfs/dbraw/zinc/95/12/49/353951249.db2.gz NVAZZIQWQCVOJU-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000343639585 353951252 /nfs/dbraw/zinc/95/12/52/353951252.db2.gz NVAZZIQWQCVOJU-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO CCCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000343589034 353941011 /nfs/dbraw/zinc/94/10/11/353941011.db2.gz LATUCXSWRVFQMS-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000343589034 353941013 /nfs/dbraw/zinc/94/10/13/353941013.db2.gz LATUCXSWRVFQMS-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC000343482130 353904626 /nfs/dbraw/zinc/90/46/26/353904626.db2.gz SZXQVSAIGCJQPK-MRVPVSSYSA-N 1 2 238.291 0.113 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000334551288 353990752 /nfs/dbraw/zinc/99/07/52/353990752.db2.gz ZLTVEYKATNZRCL-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000334551288 353990754 /nfs/dbraw/zinc/99/07/54/353990754.db2.gz ZLTVEYKATNZRCL-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334551944 353992200 /nfs/dbraw/zinc/99/22/00/353992200.db2.gz CBIWMHHURMSSBB-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334551944 353992205 /nfs/dbraw/zinc/99/22/05/353992205.db2.gz CBIWMHHURMSSBB-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO COc1cncc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000343800380 354003957 /nfs/dbraw/zinc/00/39/57/354003957.db2.gz HZMSQUQDGBFJLF-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO COc1cncc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000343800380 354003961 /nfs/dbraw/zinc/00/39/61/354003961.db2.gz HZMSQUQDGBFJLF-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO CCc1cc(NCCCOCCO)nc[nH+]1 ZINC000227312656 491058106 /nfs/dbraw/zinc/05/81/06/491058106.db2.gz NDUMMNZWVGFHQG-UHFFFAOYSA-N 1 2 225.292 0.850 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000615409092 366140189 /nfs/dbraw/zinc/14/01/89/366140189.db2.gz IREMSRKSYMMWEW-GHMZBOCLSA-N 1 2 249.314 0.771 20 0 BCADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCOC1 ZINC000343868888 354027617 /nfs/dbraw/zinc/02/76/17/354027617.db2.gz BFRXXOLVSAWXGV-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910717 354038934 /nfs/dbraw/zinc/03/89/34/354038934.db2.gz QPAOVMMBAJIZHJ-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910717 354038938 /nfs/dbraw/zinc/03/89/38/354038938.db2.gz QPAOVMMBAJIZHJ-ZDUSSCGKSA-N 1 2 248.326 0.676 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOC(C)C)C1CC1 ZINC000230696861 363321552 /nfs/dbraw/zinc/32/15/52/363321552.db2.gz BGIVRKQMPAJCLH-SNVBAGLBSA-N 1 2 215.293 0.953 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCCOCC1 ZINC000328641276 188576356 /nfs/dbraw/zinc/57/63/56/188576356.db2.gz FMDSUVDFFHPRFV-UHFFFAOYSA-N 1 2 223.280 0.230 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCCOCC1 ZINC000328641276 188576359 /nfs/dbraw/zinc/57/63/59/188576359.db2.gz FMDSUVDFFHPRFV-UHFFFAOYSA-N 1 2 223.280 0.230 20 0 BCADLO COCCOCC[N@H+](C)Cc1nnc(C)s1 ZINC000344095296 354138750 /nfs/dbraw/zinc/13/87/50/354138750.db2.gz AJNAPLNBWZSPBT-UHFFFAOYSA-N 1 2 245.348 0.941 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nnc(C)s1 ZINC000344095296 354138752 /nfs/dbraw/zinc/13/87/52/354138752.db2.gz AJNAPLNBWZSPBT-UHFFFAOYSA-N 1 2 245.348 0.941 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000344112389 354140684 /nfs/dbraw/zinc/14/06/84/354140684.db2.gz LKUWFMRPSCBAIV-SSDOTTSWSA-N 1 2 229.230 0.827 20 0 BCADLO COCCOCC[N@H+](C)[C@H](C)c1nncn1C ZINC000344122172 354144144 /nfs/dbraw/zinc/14/41/44/354144144.db2.gz PVXKCPZOPNZQIH-SNVBAGLBSA-N 1 2 242.323 0.471 20 0 BCADLO COCCOCC[N@@H+](C)[C@H](C)c1nncn1C ZINC000344122172 354144147 /nfs/dbraw/zinc/14/41/47/354144147.db2.gz PVXKCPZOPNZQIH-SNVBAGLBSA-N 1 2 242.323 0.471 20 0 BCADLO COCCOCC[N@H+](C)Cc1ncccn1 ZINC000344128560 354146781 /nfs/dbraw/zinc/14/67/81/354146781.db2.gz TZCWNNVFLVZKEG-UHFFFAOYSA-N 1 2 225.292 0.571 20 0 BCADLO COCCOCC[N@@H+](C)Cc1ncccn1 ZINC000344128560 354146784 /nfs/dbraw/zinc/14/67/84/354146784.db2.gz TZCWNNVFLVZKEG-UHFFFAOYSA-N 1 2 225.292 0.571 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)[nH]1 ZINC000344155637 354157956 /nfs/dbraw/zinc/15/79/56/354157956.db2.gz VMQXOSCTRMEKNM-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)[nH]1 ZINC000344155637 354157959 /nfs/dbraw/zinc/15/79/59/354157959.db2.gz VMQXOSCTRMEKNM-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CC[C@@H](CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000344265627 354193693 /nfs/dbraw/zinc/19/36/93/354193693.db2.gz UZCULXMCLIZDHR-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO Cn1c[nH+]cc1CN1CCCCS1(=O)=O ZINC000330243033 188587299 /nfs/dbraw/zinc/58/72/99/188587299.db2.gz WQFSWBBMIKLHCM-UHFFFAOYSA-N 1 2 229.305 0.346 20 0 BCADLO CCC[C@]1(CO)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000344294303 354208412 /nfs/dbraw/zinc/20/84/12/354208412.db2.gz UASNNZSQRGVPNT-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CCC[C@]1(CO)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000344294303 354208414 /nfs/dbraw/zinc/20/84/14/354208414.db2.gz UASNNZSQRGVPNT-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000627143857 363363830 /nfs/dbraw/zinc/36/38/30/363363830.db2.gz WDRVHZWGARHIPD-SQLBVSGCSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[C@H](O)C1 ZINC000334613987 354298847 /nfs/dbraw/zinc/29/88/47/354298847.db2.gz SGGLRNSOJJWKRF-IUCAKERBSA-N 1 2 223.276 0.577 20 0 BCADLO CNC(=O)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000334631757 354374923 /nfs/dbraw/zinc/37/49/23/354374923.db2.gz UJZJDWBOKKWEMT-UHFFFAOYSA-N 1 2 221.260 0.773 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1C[C@H]1C(F)F ZINC000345019923 354397233 /nfs/dbraw/zinc/39/72/33/354397233.db2.gz TZUQXHYVNYSPST-RQJHMYQMSA-N 1 2 244.245 0.873 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](O)C1CCC1 ZINC000334668122 354407448 /nfs/dbraw/zinc/40/74/48/354407448.db2.gz OETZFIANVMSLMN-NSHDSACASA-N 1 2 220.272 0.911 20 0 BCADLO CC(C)NC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351924070 134006695 /nfs/dbraw/zinc/00/66/95/134006695.db2.gz CIHGRINEKBNANY-HWPZZCPQSA-N 1 2 246.376 0.354 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334683738 354429816 /nfs/dbraw/zinc/42/98/16/354429816.db2.gz QMYOCHYLCQQTBV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334683738 354429818 /nfs/dbraw/zinc/42/98/18/354429818.db2.gz QMYOCHYLCQQTBV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334745414 354468876 /nfs/dbraw/zinc/46/88/76/354468876.db2.gz GGLYGIVWEZNBOP-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334745414 354468879 /nfs/dbraw/zinc/46/88/79/354468879.db2.gz GGLYGIVWEZNBOP-KCJUWKMLSA-N 1 2 209.293 0.921 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C3(C)CC3)CC2)C1 ZINC000334734642 354535137 /nfs/dbraw/zinc/53/51/37/354535137.db2.gz IHKIWGLGQZXXQJ-SNVBAGLBSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C3(C)CC3)CC2)C1 ZINC000334734642 354535139 /nfs/dbraw/zinc/53/51/39/354535139.db2.gz IHKIWGLGQZXXQJ-SNVBAGLBSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)[C@H]1C ZINC000334707307 354501594 /nfs/dbraw/zinc/50/15/94/354501594.db2.gz ZQGNSQAXUYPXLJ-QWRGUYRKSA-N 1 2 241.335 0.368 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000334707842 354502750 /nfs/dbraw/zinc/50/27/50/354502750.db2.gz ONPLGBUPAUUYKX-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000334707842 354502754 /nfs/dbraw/zinc/50/27/54/354502754.db2.gz ONPLGBUPAUUYKX-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCSCC2)nc1=O ZINC000335939475 134013781 /nfs/dbraw/zinc/01/37/81/134013781.db2.gz HMQDTEFDFPCLPF-UHFFFAOYSA-N 1 2 228.321 0.047 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCSCC2)nc1=O ZINC000335939475 134013782 /nfs/dbraw/zinc/01/37/82/134013782.db2.gz HMQDTEFDFPCLPF-UHFFFAOYSA-N 1 2 228.321 0.047 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC(=O)NC1CC1 ZINC000334813532 354570716 /nfs/dbraw/zinc/57/07/16/354570716.db2.gz UICQSCBECLZGJI-SSDOTTSWSA-N 1 2 229.255 0.018 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC(=O)NC1CC1 ZINC000334813532 354570718 /nfs/dbraw/zinc/57/07/18/354570718.db2.gz UICQSCBECLZGJI-SSDOTTSWSA-N 1 2 229.255 0.018 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334815363 354572901 /nfs/dbraw/zinc/57/29/01/354572901.db2.gz XQJDJLWXTWLVTH-RYUDHWBXSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334815363 354572905 /nfs/dbraw/zinc/57/29/05/354572905.db2.gz XQJDJLWXTWLVTH-RYUDHWBXSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334815364 354572952 /nfs/dbraw/zinc/57/29/52/354572952.db2.gz XQJDJLWXTWLVTH-VXGBXAGGSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334815364 354572954 /nfs/dbraw/zinc/57/29/54/354572954.db2.gz XQJDJLWXTWLVTH-VXGBXAGGSA-N 1 2 238.331 0.766 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(OC)s1 ZINC000639203954 354644233 /nfs/dbraw/zinc/64/42/33/354644233.db2.gz NOWCRUHVTGCIRS-UHFFFAOYSA-N 1 2 243.332 0.849 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(OC)s1 ZINC000639203954 354644238 /nfs/dbraw/zinc/64/42/38/354644238.db2.gz NOWCRUHVTGCIRS-UHFFFAOYSA-N 1 2 243.332 0.849 20 0 BCADLO COc1ncccc1C(=O)Nc1cc[nH+]cc1O ZINC000345377779 354645803 /nfs/dbraw/zinc/64/58/03/354645803.db2.gz NZULCCVGTABDMU-UHFFFAOYSA-N 1 2 245.238 0.865 20 0 BCADLO COCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345418495 354653474 /nfs/dbraw/zinc/65/34/74/354653474.db2.gz SNSPREIJTQBTGD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COCCCCC(=O)NCCn1cc[nH+]c1 ZINC000345375774 354656817 /nfs/dbraw/zinc/65/68/17/354656817.db2.gz MMKUHQFHLUERJJ-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO Cc1[nH]nc(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000345351373 354624813 /nfs/dbraw/zinc/62/48/13/354624813.db2.gz ZWUQDVQXIVUPNS-UHFFFAOYSA-N 1 2 233.275 0.722 20 0 BCADLO Cc1nnsc1C(=O)NCCn1cc[nH+]c1 ZINC000345504772 354682604 /nfs/dbraw/zinc/68/26/04/354682604.db2.gz LYVYMYDMFXHBRT-UHFFFAOYSA-N 1 2 237.288 0.473 20 0 BCADLO CCC(=O)CCCN1CC[NH+](CCO)CC1 ZINC000232858698 363387615 /nfs/dbraw/zinc/38/76/15/363387615.db2.gz RPZQPRAIGHCRAT-UHFFFAOYSA-N 1 2 228.336 0.356 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)CC1(C)COC1 ZINC000345918823 354825934 /nfs/dbraw/zinc/82/59/34/354825934.db2.gz HYHOREVKVBKUPX-UHFFFAOYSA-N 1 2 245.319 0.534 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)CC1(C)COC1 ZINC000345918823 354825935 /nfs/dbraw/zinc/82/59/35/354825935.db2.gz HYHOREVKVBKUPX-UHFFFAOYSA-N 1 2 245.319 0.534 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000345882113 354796092 /nfs/dbraw/zinc/79/60/92/354796092.db2.gz IELGXQLOHBQJEW-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000345882113 354796096 /nfs/dbraw/zinc/79/60/96/354796096.db2.gz IELGXQLOHBQJEW-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616871873 491068251 /nfs/dbraw/zinc/06/82/51/491068251.db2.gz VMGWSWUZBJOPGV-SECBINFHSA-N 1 2 225.292 0.616 20 0 BCADLO O=C(NC[C@@H]1CCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346332864 354899021 /nfs/dbraw/zinc/89/90/21/354899021.db2.gz NGWMLBNMEIYQHQ-VHSXEESVSA-N 1 2 249.314 0.982 20 0 BCADLO O=C(NC[C@@H]1CCOC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000346332864 354899022 /nfs/dbraw/zinc/89/90/22/354899022.db2.gz NGWMLBNMEIYQHQ-VHSXEESVSA-N 1 2 249.314 0.982 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OC ZINC000346362750 354917606 /nfs/dbraw/zinc/91/76/06/354917606.db2.gz DNLILEXVCGRMPV-MRVPVSSYSA-N 1 2 239.275 0.328 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OC ZINC000346362750 354917612 /nfs/dbraw/zinc/91/76/12/354917612.db2.gz DNLILEXVCGRMPV-MRVPVSSYSA-N 1 2 239.275 0.328 20 0 BCADLO COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)ccn1 ZINC000346397980 354909402 /nfs/dbraw/zinc/90/94/02/354909402.db2.gz JIHFSJDNAZCAFH-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)ccn1 ZINC000346397980 354909403 /nfs/dbraw/zinc/90/94/03/354909403.db2.gz JIHFSJDNAZCAFH-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COC[C@@H](C)OC[C@H](O)Cn1cc[nH+]c1 ZINC000234894616 363434932 /nfs/dbraw/zinc/43/49/32/363434932.db2.gz CSQGPQLSDBSMCK-NXEZZACHSA-N 1 2 214.265 0.296 20 0 BCADLO CCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000346421211 354924296 /nfs/dbraw/zinc/92/42/96/354924296.db2.gz UYOWXUNTPPXTGU-LBPRGKRZSA-N 1 2 241.379 0.929 20 0 BCADLO CCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000346421211 354924302 /nfs/dbraw/zinc/92/43/02/354924302.db2.gz UYOWXUNTPPXTGU-LBPRGKRZSA-N 1 2 241.379 0.929 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC000346423115 354924823 /nfs/dbraw/zinc/92/48/23/354924823.db2.gz ZKZNLMIBWVCLSF-NSHDSACASA-N 1 2 241.379 0.785 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC000346423115 354924828 /nfs/dbraw/zinc/92/48/28/354924828.db2.gz ZKZNLMIBWVCLSF-NSHDSACASA-N 1 2 241.379 0.785 20 0 BCADLO O=C(C[N@H+]1CCC[C@](F)(CO)C1)N1CCCC1 ZINC000335959150 134024199 /nfs/dbraw/zinc/02/41/99/134024199.db2.gz IEPXXWJNUHLUAD-GFCCVEGCSA-N 1 2 244.310 0.405 20 0 BCADLO O=C(C[N@@H+]1CCC[C@](F)(CO)C1)N1CCCC1 ZINC000335959150 134024200 /nfs/dbraw/zinc/02/42/00/134024200.db2.gz IEPXXWJNUHLUAD-GFCCVEGCSA-N 1 2 244.310 0.405 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)sn1 ZINC000639223828 354954494 /nfs/dbraw/zinc/95/44/94/354954494.db2.gz ULIKMJCCHZAJCK-VIFPVBQESA-N 1 2 228.317 0.645 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H](O)C2)sn1 ZINC000639223828 354954497 /nfs/dbraw/zinc/95/44/97/354954497.db2.gz ULIKMJCCHZAJCK-VIFPVBQESA-N 1 2 228.317 0.645 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000346655918 355003624 /nfs/dbraw/zinc/00/36/24/355003624.db2.gz KCWHUGGLWRZMSA-SFYZADRCSA-N 1 2 209.249 0.454 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCC(C)(C)OC)CCOC1 ZINC000346576660 354998917 /nfs/dbraw/zinc/99/89/17/354998917.db2.gz SQXNFCOQRPHVSZ-GFCCVEGCSA-N 1 2 245.319 0.723 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000335966091 134028281 /nfs/dbraw/zinc/02/82/81/134028281.db2.gz MQXLYIFTCNOHET-QWRGUYRKSA-N 1 2 226.320 0.574 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000346678846 355010140 /nfs/dbraw/zinc/01/01/40/355010140.db2.gz VBXKDQNWRLAROT-HTRCEHHLSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000346678846 355010142 /nfs/dbraw/zinc/01/01/42/355010142.db2.gz VBXKDQNWRLAROT-HTRCEHHLSA-N 1 2 241.209 0.547 20 0 BCADLO CC(C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336096047 535277384 /nfs/dbraw/zinc/27/73/84/535277384.db2.gz BDXQCTGSUJJREN-VIFPVBQESA-N 1 2 222.292 0.906 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335196555 355029443 /nfs/dbraw/zinc/02/94/43/355029443.db2.gz PWXAHFDDZSRIQB-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335196555 355029444 /nfs/dbraw/zinc/02/94/44/355029444.db2.gz PWXAHFDDZSRIQB-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[NH+](C)CC1 ZINC000335184169 355082557 /nfs/dbraw/zinc/08/25/57/355082557.db2.gz XKYZXHFWHLMHNW-SECBINFHSA-N 1 2 216.350 0.902 20 0 BCADLO CCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335185580 355084264 /nfs/dbraw/zinc/08/42/64/355084264.db2.gz CECFETMFXKXABK-QMMMGPOBSA-N 1 2 229.305 0.896 20 0 BCADLO COc1ccncc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000346839938 355132590 /nfs/dbraw/zinc/13/25/90/355132590.db2.gz JIQWVEKOUFKSQZ-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccncc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000346839938 355132593 /nfs/dbraw/zinc/13/25/93/355132593.db2.gz JIQWVEKOUFKSQZ-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@H]1CCCO1 ZINC000346838982 355132711 /nfs/dbraw/zinc/13/27/11/355132711.db2.gz FYSHGJLAISXEHB-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@H]1CCCO1 ZINC000346838982 355132712 /nfs/dbraw/zinc/13/27/12/355132712.db2.gz FYSHGJLAISXEHB-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000346839946 355133804 /nfs/dbraw/zinc/13/38/04/355133804.db2.gz JMMKNAHIHOYTJO-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000346839946 355133807 /nfs/dbraw/zinc/13/38/07/355133807.db2.gz JMMKNAHIHOYTJO-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOC1CCC1 ZINC000346852677 355138603 /nfs/dbraw/zinc/13/86/03/355138603.db2.gz NHMXGNOFGIGVMP-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC1CCC1 ZINC000346852677 355138606 /nfs/dbraw/zinc/13/86/06/355138606.db2.gz NHMXGNOFGIGVMP-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC1CCC1 ZINC000346852676 355139160 /nfs/dbraw/zinc/13/91/60/355139160.db2.gz NHMXGNOFGIGVMP-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC1CCC1 ZINC000346852676 355139163 /nfs/dbraw/zinc/13/91/63/355139163.db2.gz NHMXGNOFGIGVMP-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@H](NC(=O)c1cnnn1CC)c1[nH]cc[nH+]1 ZINC000346907140 355150226 /nfs/dbraw/zinc/15/02/26/355150226.db2.gz NATDKXUNKPBEST-QMMMGPOBSA-N 1 2 248.290 0.902 20 0 BCADLO C[N@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346867922 355156865 /nfs/dbraw/zinc/15/68/65/355156865.db2.gz MDVCGTUSZHUVKV-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346867922 355156867 /nfs/dbraw/zinc/15/68/67/355156867.db2.gz MDVCGTUSZHUVKV-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)sn1 ZINC000639232288 355213984 /nfs/dbraw/zinc/21/39/84/355213984.db2.gz GAXWPPDTZZXEHX-SECBINFHSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)sn1 ZINC000639232288 355213987 /nfs/dbraw/zinc/21/39/87/355213987.db2.gz GAXWPPDTZZXEHX-SECBINFHSA-N 1 2 225.317 0.901 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCn1cncn1 ZINC000346970673 355174867 /nfs/dbraw/zinc/17/48/67/355174867.db2.gz AJSKHGNXERDMSW-VIFPVBQESA-N 1 2 226.280 0.162 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCn1cncn1 ZINC000346970673 355174868 /nfs/dbraw/zinc/17/48/68/355174868.db2.gz AJSKHGNXERDMSW-VIFPVBQESA-N 1 2 226.280 0.162 20 0 BCADLO CNC(=O)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413082483 191355259 /nfs/dbraw/zinc/35/52/59/191355259.db2.gz QYBGCZCZSVAHDT-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CNC(=O)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413082483 191355262 /nfs/dbraw/zinc/35/52/62/191355262.db2.gz QYBGCZCZSVAHDT-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO COC[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413139797 191358643 /nfs/dbraw/zinc/35/86/43/191358643.db2.gz FPNRAZJODLQJNA-VIFPVBQESA-N 1 2 238.291 0.470 20 0 BCADLO COC[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413139797 191358645 /nfs/dbraw/zinc/35/86/45/191358645.db2.gz FPNRAZJODLQJNA-VIFPVBQESA-N 1 2 238.291 0.470 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413164909 191360223 /nfs/dbraw/zinc/36/02/23/191360223.db2.gz RILORXXDPUAKGT-SSDOTTSWSA-N 1 2 235.291 0.727 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413164909 191360226 /nfs/dbraw/zinc/36/02/26/191360226.db2.gz RILORXXDPUAKGT-SSDOTTSWSA-N 1 2 235.291 0.727 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000413492258 191388661 /nfs/dbraw/zinc/38/86/61/191388661.db2.gz JCPMQSJDXZZZFX-VHSXEESVSA-N 1 2 225.292 0.719 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000639247395 355275666 /nfs/dbraw/zinc/27/56/66/355275666.db2.gz UOXKWNZBOLDTNW-NXEZZACHSA-N 1 2 249.318 0.058 20 0 BCADLO CN(CCC(N)=O)c1cc(NC2CC2)[nH+]cn1 ZINC000413295814 191369114 /nfs/dbraw/zinc/36/91/14/191369114.db2.gz PRNMJICMQBFPJW-UHFFFAOYSA-N 1 2 235.291 0.363 20 0 BCADLO CN(CCC(N)=O)c1cc(NC2CC2)nc[nH+]1 ZINC000413295814 191369117 /nfs/dbraw/zinc/36/91/17/191369117.db2.gz PRNMJICMQBFPJW-UHFFFAOYSA-N 1 2 235.291 0.363 20 0 BCADLO C[C@@H](O)CNc1cc(N2CC[C@@H](F)C2)nc[nH+]1 ZINC000413322853 191373033 /nfs/dbraw/zinc/37/30/33/191373033.db2.gz HOKXEMZRNINZHY-RKDXNWHRSA-N 1 2 240.282 0.818 20 0 BCADLO C[C@@H](O)CNc1cc(N2CC[C@@H](F)C2)[nH+]cn1 ZINC000413322853 191373036 /nfs/dbraw/zinc/37/30/36/191373036.db2.gz HOKXEMZRNINZHY-RKDXNWHRSA-N 1 2 240.282 0.818 20 0 BCADLO COCCC1(C)C[NH+](Cc2ncnn2C)C1 ZINC000639255093 355297039 /nfs/dbraw/zinc/29/70/39/355297039.db2.gz MIRIMTMVRUSOTM-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000432509149 491077678 /nfs/dbraw/zinc/07/76/78/491077678.db2.gz JGKUEFPPWZJWHS-ONGXEEELSA-N 1 2 240.303 0.196 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccns2)C1 ZINC000639262989 355317664 /nfs/dbraw/zinc/31/76/64/355317664.db2.gz DXEUPAKFHPVHDT-UHFFFAOYSA-N 1 2 211.290 0.321 20 0 BCADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1cccnc1 ZINC000582160411 355318156 /nfs/dbraw/zinc/31/81/56/355318156.db2.gz WBRNIXPWVDHFAM-UHFFFAOYSA-N 1 2 224.245 0.606 20 0 BCADLO Cn1ncnc1C[NH+]1CC2(C1)CCCOC2 ZINC000639251526 355284924 /nfs/dbraw/zinc/28/49/24/355284924.db2.gz QXWOMEKCCJTQIK-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccon1 ZINC000349239148 355374045 /nfs/dbraw/zinc/37/40/45/355374045.db2.gz KXSAQGBDYGPNCK-VIFPVBQESA-N 1 2 239.275 0.184 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275629 355352279 /nfs/dbraw/zinc/35/22/79/355352279.db2.gz UXKNSKRNCASRPT-ONGXEEELSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275629 355352282 /nfs/dbraw/zinc/35/22/82/355352282.db2.gz UXKNSKRNCASRPT-ONGXEEELSA-N 1 2 238.287 0.369 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccoc1C ZINC000414385229 191503313 /nfs/dbraw/zinc/50/33/13/191503313.db2.gz UPJHOJGOEJKPCU-MNOVXSKESA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccoc1C ZINC000414385229 191503316 /nfs/dbraw/zinc/50/33/16/191503316.db2.gz UPJHOJGOEJKPCU-MNOVXSKESA-N 1 2 239.271 0.696 20 0 BCADLO C[C@H]1C(=O)N(C)CN1[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639289000 355407504 /nfs/dbraw/zinc/40/75/04/355407504.db2.gz VJTHWYZWGSRWBM-GXSJLCMTSA-N 1 2 248.330 0.991 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000349678223 355409118 /nfs/dbraw/zinc/40/91/18/355409118.db2.gz IGVNJEGTCWRDQD-ZJUUUORDSA-N 1 2 222.292 0.981 20 0 BCADLO Cc1ccnc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000349689899 355411787 /nfs/dbraw/zinc/41/17/87/355411787.db2.gz FHAHHLZYKXZLAF-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000335785102 355434099 /nfs/dbraw/zinc/43/40/99/355434099.db2.gz XKARESVUQZZICA-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000335785102 355434101 /nfs/dbraw/zinc/43/41/01/355434101.db2.gz XKARESVUQZZICA-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1cn2c([nH+]1)[C@@H](CNS(C)(=O)=O)CCC2 ZINC000335795771 355452041 /nfs/dbraw/zinc/45/20/41/355452041.db2.gz YXNUKMGUTFXHNV-SECBINFHSA-N 1 2 243.332 0.618 20 0 BCADLO CC(C)OCC[C@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000349910402 355524671 /nfs/dbraw/zinc/52/46/71/355524671.db2.gz LYRWRVPAFGOLQV-JTQLQIEISA-N 1 2 242.323 0.413 20 0 BCADLO CC(C)OCC[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000349910402 355524673 /nfs/dbraw/zinc/52/46/73/355524673.db2.gz LYRWRVPAFGOLQV-JTQLQIEISA-N 1 2 242.323 0.413 20 0 BCADLO CCC[C@@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296702 355582775 /nfs/dbraw/zinc/58/27/75/355582775.db2.gz PGZRQKWVRNDJHX-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCC[C@@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296702 355582779 /nfs/dbraw/zinc/58/27/79/355582779.db2.gz PGZRQKWVRNDJHX-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1ccn[nH]1 ZINC000335844399 355588170 /nfs/dbraw/zinc/58/81/70/355588170.db2.gz WDDSDIGVLMGOCX-VIFPVBQESA-N 1 2 245.286 0.914 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(=O)[nH]1 ZINC000350155593 355616412 /nfs/dbraw/zinc/61/64/12/355616412.db2.gz HGPKVERZYAOGBR-UHFFFAOYSA-N 1 2 238.272 0.810 20 0 BCADLO COCC1(CC(=O)Nc2cc[nH+]cc2O)CC1 ZINC000583567081 355649496 /nfs/dbraw/zinc/64/94/96/355649496.db2.gz GSKBKCBFUXHMCC-UHFFFAOYSA-N 1 2 236.271 0.964 20 0 BCADLO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000350227935 355652752 /nfs/dbraw/zinc/65/27/52/355652752.db2.gz SJUAKUMTIBRVHV-BDAKNGLRSA-N 1 2 247.245 0.206 20 0 BCADLO OC[C@H]1C[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000350227935 355652755 /nfs/dbraw/zinc/65/27/55/355652755.db2.gz SJUAKUMTIBRVHV-BDAKNGLRSA-N 1 2 247.245 0.206 20 0 BCADLO Nc1nc(N)c(CN2CCC[C@H](F)C2)c[nH+]1 ZINC000639311814 355671932 /nfs/dbraw/zinc/67/19/32/355671932.db2.gz DULXYSHATBBVMI-QMMMGPOBSA-N 1 2 225.271 0.236 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC000331649337 181204139 /nfs/dbraw/zinc/20/41/39/181204139.db2.gz KWTKOUDVXONLEO-VIFPVBQESA-N 1 2 225.292 0.512 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC000331649337 181204140 /nfs/dbraw/zinc/20/41/40/181204140.db2.gz KWTKOUDVXONLEO-VIFPVBQESA-N 1 2 225.292 0.512 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000335872136 355638856 /nfs/dbraw/zinc/63/88/56/355638856.db2.gz AWRUPXGXGZFOCV-NSHDSACASA-N 1 2 214.309 0.167 20 0 BCADLO COCc1cc[nH+]c(NCc2ncnn2C)c1 ZINC000639313399 355690337 /nfs/dbraw/zinc/69/03/37/355690337.db2.gz RWOJFMJUBMDQST-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO C[C@H](CF)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000350475183 355711127 /nfs/dbraw/zinc/71/11/27/355711127.db2.gz CUVLQRIPCVHJFF-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccnc(C)n1 ZINC000350654853 355737523 /nfs/dbraw/zinc/73/75/23/355737523.db2.gz HTJLPARTGPNVLN-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccnc(C)n1 ZINC000350654853 355737526 /nfs/dbraw/zinc/73/75/26/355737526.db2.gz HTJLPARTGPNVLN-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO O=c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)c[nH]1 ZINC000639332074 355758689 /nfs/dbraw/zinc/75/86/89/355758689.db2.gz FWMJKYBUKRFFTO-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO O=c1ccc(C[N@H+]2CCc3nn[nH]c3C2)c[nH]1 ZINC000639332074 355758692 /nfs/dbraw/zinc/75/86/92/355758692.db2.gz FWMJKYBUKRFFTO-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639333419 355762565 /nfs/dbraw/zinc/76/25/65/355762565.db2.gz XBZBWOXZXRUZTI-SECBINFHSA-N 1 2 236.319 0.832 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639333419 355762569 /nfs/dbraw/zinc/76/25/69/355762569.db2.gz XBZBWOXZXRUZTI-SECBINFHSA-N 1 2 236.319 0.832 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639336160 355769430 /nfs/dbraw/zinc/76/94/30/355769430.db2.gz FUDAUDISAUDNMD-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639336160 355769434 /nfs/dbraw/zinc/76/94/34/355769434.db2.gz FUDAUDISAUDNMD-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO CN1CC[N@H+](Cc2cccc(O)c2)[C@@H](CO)C1 ZINC000639336299 355769983 /nfs/dbraw/zinc/76/99/83/355769983.db2.gz GXNVXRQVPKXULT-GFCCVEGCSA-N 1 2 236.315 0.501 20 0 BCADLO CN1CC[N@@H+](Cc2cccc(O)c2)[C@@H](CO)C1 ZINC000639336299 355769988 /nfs/dbraw/zinc/76/99/88/355769988.db2.gz GXNVXRQVPKXULT-GFCCVEGCSA-N 1 2 236.315 0.501 20 0 BCADLO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1c[nH]nn1 ZINC000639340387 355781983 /nfs/dbraw/zinc/78/19/83/355781983.db2.gz DSHKFGUBHNUDMW-BDAKNGLRSA-N 1 2 237.307 0.342 20 0 BCADLO C[C@H](Cc1cnccn1)[NH2+]Cc1cn[nH]n1 ZINC000639341706 355783695 /nfs/dbraw/zinc/78/36/95/355783695.db2.gz PAGCQDLLWPAFRK-MRVPVSSYSA-N 1 2 218.264 0.316 20 0 BCADLO COc1cc(C[C@@H](C)[NH2+]Cc2c[nH]nn2)ccn1 ZINC000639342515 355784750 /nfs/dbraw/zinc/78/47/50/355784750.db2.gz WOGDMPKABJIJIV-SECBINFHSA-N 1 2 247.302 0.929 20 0 BCADLO COc1cc(C[C@@H](C)[NH2+]Cc2cn[nH]n2)ccn1 ZINC000639342515 355784754 /nfs/dbraw/zinc/78/47/54/355784754.db2.gz WOGDMPKABJIJIV-SECBINFHSA-N 1 2 247.302 0.929 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C12CC(C1)C2 ZINC000623254083 355852918 /nfs/dbraw/zinc/85/29/18/355852918.db2.gz GVZXTDHYEQXMIF-NBBOBHDQSA-N 1 2 217.272 0.724 20 0 BCADLO Cc1nccnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254650 355855755 /nfs/dbraw/zinc/85/57/55/355855755.db2.gz OOZIWRZWWABONE-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000623254738 355855927 /nfs/dbraw/zinc/85/59/27/355855927.db2.gz USFMSZMTSOHUII-ZDCRXTMVSA-N 1 2 231.299 0.970 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1(F)F ZINC000623255765 355861681 /nfs/dbraw/zinc/86/16/81/355861681.db2.gz UAKHVSROJJXGBI-XCBNKYQSSA-N 1 2 241.241 0.969 20 0 BCADLO C[N@H+](Cc1ccncc1F)[C@@]1(CO)CCOC1 ZINC000628367498 355862137 /nfs/dbraw/zinc/86/21/37/355862137.db2.gz BKMXIRPJUINDEQ-GFCCVEGCSA-N 1 2 240.278 0.804 20 0 BCADLO C[N@@H+](Cc1ccncc1F)[C@@]1(CO)CCOC1 ZINC000628367498 355862145 /nfs/dbraw/zinc/86/21/45/355862145.db2.gz BKMXIRPJUINDEQ-GFCCVEGCSA-N 1 2 240.278 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000628367688 355862609 /nfs/dbraw/zinc/86/26/09/355862609.db2.gz NEWKOEVPDBEQJK-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000628367688 355862611 /nfs/dbraw/zinc/86/26/11/355862611.db2.gz NEWKOEVPDBEQJK-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000628367688 355862612 /nfs/dbraw/zinc/86/26/12/355862612.db2.gz NEWKOEVPDBEQJK-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000628367688 355862614 /nfs/dbraw/zinc/86/26/14/355862614.db2.gz NEWKOEVPDBEQJK-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO C[N@H+](Cc1cocn1)[C@@]1(CO)CCOC1 ZINC000628367698 355862730 /nfs/dbraw/zinc/86/27/30/355862730.db2.gz NOQIKDOXSGXUHO-SNVBAGLBSA-N 1 2 212.249 0.258 20 0 BCADLO C[N@@H+](Cc1cocn1)[C@@]1(CO)CCOC1 ZINC000628367698 355862733 /nfs/dbraw/zinc/86/27/33/355862733.db2.gz NOQIKDOXSGXUHO-SNVBAGLBSA-N 1 2 212.249 0.258 20 0 BCADLO C[C@H]1OCC[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000191902020 355863266 /nfs/dbraw/zinc/86/32/66/355863266.db2.gz OIJWOYQENMTDLM-SFYZADRCSA-N 1 2 226.280 0.403 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000631252986 355873142 /nfs/dbraw/zinc/87/31/42/355873142.db2.gz CAROOELVGBRSSX-NSHDSACASA-N 1 2 235.287 0.665 20 0 BCADLO C[C@H]1C[NH+](Cc2nnnn2C)C[C@H](C)S1 ZINC000608502851 355830365 /nfs/dbraw/zinc/83/03/65/355830365.db2.gz FKQHEORHLIHLIY-YUMQZZPRSA-N 1 2 227.337 0.536 20 0 BCADLO CC1([NH2+]Cc2cc3c(cn2)OCCO3)COC1 ZINC000639380257 355917200 /nfs/dbraw/zinc/91/72/00/355917200.db2.gz DAQGMVQWLQUKRM-UHFFFAOYSA-N 1 2 236.271 0.731 20 0 BCADLO NC(=O)CC1([NH2+]Cc2ccn[nH]2)CCC1 ZINC000308923850 181218992 /nfs/dbraw/zinc/21/89/92/181218992.db2.gz JUAWWSAMCBBEGI-UHFFFAOYSA-N 1 2 208.265 0.297 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000336046069 134063374 /nfs/dbraw/zinc/06/33/74/134063374.db2.gz OVXBTATYEROOEJ-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000336046069 134063375 /nfs/dbraw/zinc/06/33/75/134063375.db2.gz OVXBTATYEROOEJ-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO COC(=O)c1cncc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428131485 191923522 /nfs/dbraw/zinc/92/35/22/191923522.db2.gz OHOQMRLJNLALKK-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO C[C@H]([NH2+]Cc1ncnn1C)[C@@H](O)C(F)(F)F ZINC000639387024 355993920 /nfs/dbraw/zinc/99/39/20/355993920.db2.gz MNWYILVFCZVWGE-CAHLUQPWSA-N 1 2 238.213 0.216 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257946 356031057 /nfs/dbraw/zinc/03/10/57/356031057.db2.gz ZUWXKBSMGOSNDX-WCABBAIRSA-N 1 2 219.288 0.970 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000351642691 356040961 /nfs/dbraw/zinc/04/09/61/356040961.db2.gz FZUPWSPKFVEENV-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000351642691 356040966 /nfs/dbraw/zinc/04/09/66/356040966.db2.gz FZUPWSPKFVEENV-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000351649019 356045114 /nfs/dbraw/zinc/04/51/14/356045114.db2.gz LSMYQISYXYXSJA-UHFFFAOYSA-N 1 2 225.317 0.589 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000351649019 356045117 /nfs/dbraw/zinc/04/51/17/356045117.db2.gz LSMYQISYXYXSJA-UHFFFAOYSA-N 1 2 225.317 0.589 20 0 BCADLO COCCN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000351678515 356053810 /nfs/dbraw/zinc/05/38/10/356053810.db2.gz WVMSBECTFSKYJW-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304579165 181230847 /nfs/dbraw/zinc/23/08/47/181230847.db2.gz NVXCMIWYTQRYGA-QMMMGPOBSA-N 1 2 240.225 0.251 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304579165 181230851 /nfs/dbraw/zinc/23/08/51/181230851.db2.gz NVXCMIWYTQRYGA-QMMMGPOBSA-N 1 2 240.225 0.251 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(F)c[nH]1 ZINC000623257049 356025192 /nfs/dbraw/zinc/02/51/92/356025192.db2.gz AZKLATLKFMEPCS-QMMMGPOBSA-N 1 2 234.234 0.705 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2Cc3cncn3C2)C1 ZINC000623257716 356027003 /nfs/dbraw/zinc/02/70/03/356027003.db2.gz RWZIMWDAFWFTOD-SNVBAGLBSA-N 1 2 248.330 0.266 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC1(F)F ZINC000623257882 356029240 /nfs/dbraw/zinc/02/92/40/356029240.db2.gz YHFWLYLTNGNDLQ-HTRCEHHLSA-N 1 2 227.214 0.579 20 0 BCADLO CCn1nncc1C[N@@H+]1CCSC[C@H]1CO ZINC000639398194 356109289 /nfs/dbraw/zinc/10/92/89/356109289.db2.gz WPAXBCXYIFZWBL-SNVBAGLBSA-N 1 2 242.348 0.208 20 0 BCADLO CCn1nncc1C[N@H+]1CCSC[C@H]1CO ZINC000639398194 356109293 /nfs/dbraw/zinc/10/92/93/356109293.db2.gz WPAXBCXYIFZWBL-SNVBAGLBSA-N 1 2 242.348 0.208 20 0 BCADLO CC(F)(F)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260483 356120509 /nfs/dbraw/zinc/12/05/09/356120509.db2.gz FMIBTILKVKHGRM-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258211 356065490 /nfs/dbraw/zinc/06/54/90/356065490.db2.gz KLSREGYMLHKOCE-JOYOIKCWSA-N 1 2 235.287 0.085 20 0 BCADLO CO[C@](C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258236 356065492 /nfs/dbraw/zinc/06/54/92/356065492.db2.gz LEOIFZGUXVZNRC-MFKMUULPSA-N 1 2 249.314 0.739 20 0 BCADLO CCOC1CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258404 356071472 /nfs/dbraw/zinc/07/14/72/356071472.db2.gz SEXKSFUEAIDCSS-SQLBVSGCSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000120668685 181246546 /nfs/dbraw/zinc/24/65/46/181246546.db2.gz FMNFYNRCPOTSFQ-SECBINFHSA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000120668685 181246547 /nfs/dbraw/zinc/24/65/47/181246547.db2.gz FMNFYNRCPOTSFQ-SECBINFHSA-N 1 2 240.332 0.768 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000351806640 356087936 /nfs/dbraw/zinc/08/79/36/356087936.db2.gz GKWORCMWCRXBEK-SFYZADRCSA-N 1 2 243.332 0.749 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000351806640 356087938 /nfs/dbraw/zinc/08/79/38/356087938.db2.gz GKWORCMWCRXBEK-SFYZADRCSA-N 1 2 243.332 0.749 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1cnnn1C ZINC000351895370 356168655 /nfs/dbraw/zinc/16/86/55/356168655.db2.gz FHLJBLKEEZYRLL-UHFFFAOYSA-N 1 2 244.262 0.045 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351904223 356175269 /nfs/dbraw/zinc/17/52/69/356175269.db2.gz OBITZSWYPPXFNH-CLAHSXSESA-N 1 2 219.306 0.002 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351904223 356175272 /nfs/dbraw/zinc/17/52/72/356175272.db2.gz OBITZSWYPPXFNH-CLAHSXSESA-N 1 2 219.306 0.002 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639432613 356210289 /nfs/dbraw/zinc/21/02/89/356210289.db2.gz FMDCVBKKWZSJAK-SNVBAGLBSA-N 1 2 207.277 0.740 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639432613 356210293 /nfs/dbraw/zinc/21/02/93/356210293.db2.gz FMDCVBKKWZSJAK-SNVBAGLBSA-N 1 2 207.277 0.740 20 0 BCADLO CCOC(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352150830 134082634 /nfs/dbraw/zinc/08/26/34/134082634.db2.gz VEQLDPQISPVZPU-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO CCOC(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352150830 134082635 /nfs/dbraw/zinc/08/26/35/134082635.db2.gz VEQLDPQISPVZPU-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(O)CCCCC1 ZINC000623264369 356235889 /nfs/dbraw/zinc/23/58/89/356235889.db2.gz JUTLSXVVGWWOIQ-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000298070618 181259696 /nfs/dbraw/zinc/25/96/96/181259696.db2.gz OVQXHLKGYSAIKH-UHFFFAOYSA-N 1 2 220.276 0.850 20 0 BCADLO O=C(C[NH+]1CCC(O)CC1)Nc1ccccn1 ZINC000639446609 356225246 /nfs/dbraw/zinc/22/52/46/356225246.db2.gz RRHADFGJFSGIEE-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO OC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639445587 356226406 /nfs/dbraw/zinc/22/64/06/356226406.db2.gz LGAKMYNBAJCFEC-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO Cc1cncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623264527 356236489 /nfs/dbraw/zinc/23/64/89/356236489.db2.gz NJZXSHGTMIDPSD-NSHDSACASA-N 1 2 242.282 0.941 20 0 BCADLO O=C(CCn1cccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264776 356230295 /nfs/dbraw/zinc/23/02/95/356230295.db2.gz UFYOHKVIOBONCF-LLVKDONJSA-N 1 2 244.298 0.816 20 0 BCADLO COC[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264987 356230920 /nfs/dbraw/zinc/23/09/20/356230920.db2.gz YHMISZNJVMZNPG-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623265006 356231095 /nfs/dbraw/zinc/23/10/95/356231095.db2.gz YTOGZUDPGWLLQP-MVWJERBFSA-N 1 2 249.314 0.882 20 0 BCADLO CC1(C)C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263127 356198507 /nfs/dbraw/zinc/19/85/07/356198507.db2.gz CIULSMKSOXDFJF-WCBMZHEXSA-N 1 2 219.288 0.970 20 0 BCADLO COCC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263387 356201291 /nfs/dbraw/zinc/20/12/91/356201291.db2.gz KYDIPTGUSODAIY-SECBINFHSA-N 1 2 237.303 0.597 20 0 BCADLO O=C(Cc1cccnc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263340 356201894 /nfs/dbraw/zinc/20/18/94/356201894.db2.gz JOEPBGSKYWRKTN-LLVKDONJSA-N 1 2 242.282 0.562 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCCO1 ZINC000623263671 356201990 /nfs/dbraw/zinc/20/19/90/356201990.db2.gz TXGJSTGLSNVSNM-ONGXEEELSA-N 1 2 235.287 0.493 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC(O)C1 ZINC000613497316 363460368 /nfs/dbraw/zinc/46/03/68/363460368.db2.gz COLKIGIXXQPCSS-XNWIYYODSA-N 1 2 249.314 0.496 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC(O)C1 ZINC000613497316 363460370 /nfs/dbraw/zinc/46/03/70/363460370.db2.gz COLKIGIXXQPCSS-XNWIYYODSA-N 1 2 249.314 0.496 20 0 BCADLO O=C(CC[C@@H]1CCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264424 356236600 /nfs/dbraw/zinc/23/66/00/356236600.db2.gz LHFZMYSDQFRIPQ-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1ccccn1 ZINC000639458172 356243919 /nfs/dbraw/zinc/24/39/19/356243919.db2.gz UCDYCVKDACQSHB-UHFFFAOYSA-N 1 2 223.276 0.598 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1ccccn1 ZINC000639458172 356243921 /nfs/dbraw/zinc/24/39/21/356243921.db2.gz UCDYCVKDACQSHB-UHFFFAOYSA-N 1 2 223.276 0.598 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639499364 356325052 /nfs/dbraw/zinc/32/50/52/356325052.db2.gz IJILSNUIGBACRU-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639499364 356325056 /nfs/dbraw/zinc/32/50/56/356325056.db2.gz IJILSNUIGBACRU-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO Cc1[nH]nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1C ZINC000623265643 356299147 /nfs/dbraw/zinc/29/91/47/356299147.db2.gz KMNKMOLKXWBXNW-VIFPVBQESA-N 1 2 245.286 0.578 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639484004 356300041 /nfs/dbraw/zinc/30/00/41/356300041.db2.gz XZSFEKLWBYMRMN-GFCCVEGCSA-N 1 2 248.330 0.476 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639484004 356300043 /nfs/dbraw/zinc/30/00/43/356300043.db2.gz XZSFEKLWBYMRMN-GFCCVEGCSA-N 1 2 248.330 0.476 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000639484053 356300099 /nfs/dbraw/zinc/30/00/99/356300099.db2.gz YOBDKQMKMQKCNB-HTQZYQBOSA-N 1 2 225.210 0.963 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000639484053 356300100 /nfs/dbraw/zinc/30/01/00/356300100.db2.gz YOBDKQMKMQKCNB-HTQZYQBOSA-N 1 2 225.210 0.963 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000639487179 356302893 /nfs/dbraw/zinc/30/28/93/356302893.db2.gz XPCKQOMSCYSSDL-NSHDSACASA-N 1 2 224.304 0.662 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000639487179 356302896 /nfs/dbraw/zinc/30/28/96/356302896.db2.gz XPCKQOMSCYSSDL-NSHDSACASA-N 1 2 224.304 0.662 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@H]1c1[nH]c[nH+]c1C ZINC000333949741 356328114 /nfs/dbraw/zinc/32/81/14/356328114.db2.gz XMYZTSKBOFQSNJ-SECBINFHSA-N 1 2 222.292 0.947 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639494692 356320197 /nfs/dbraw/zinc/32/01/97/356320197.db2.gz CNLOQBNYHMMRSE-LLVKDONJSA-N 1 2 234.303 0.230 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639494692 356320198 /nfs/dbraw/zinc/32/01/98/356320198.db2.gz CNLOQBNYHMMRSE-LLVKDONJSA-N 1 2 234.303 0.230 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000639507261 356335058 /nfs/dbraw/zinc/33/50/58/356335058.db2.gz KOQILGSQCXLCHR-OCAPTIKFSA-N 1 2 209.236 0.459 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000639507261 356335059 /nfs/dbraw/zinc/33/50/59/356335059.db2.gz KOQILGSQCXLCHR-OCAPTIKFSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269106 356367880 /nfs/dbraw/zinc/36/78/80/356367880.db2.gz AVCQNBGRNFCBFO-WCBMZHEXSA-N 1 2 223.276 0.349 20 0 BCADLO CC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000639532210 356381705 /nfs/dbraw/zinc/38/17/05/356381705.db2.gz DEMLEILGHLPQGS-GHMZBOCLSA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000639532210 356381706 /nfs/dbraw/zinc/38/17/06/356381706.db2.gz DEMLEILGHLPQGS-GHMZBOCLSA-N 1 2 247.360 0.863 20 0 BCADLO O=C(CC(F)(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270362 356385639 /nfs/dbraw/zinc/38/56/39/356385639.db2.gz DNXRKAADNWDHSN-LURJTMIESA-N 1 2 233.193 0.876 20 0 BCADLO Cc1cnn(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623271803 356390149 /nfs/dbraw/zinc/39/01/49/356390149.db2.gz IAFQSPIZAHOCTK-JTQLQIEISA-N 1 2 245.286 0.129 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271498 356391585 /nfs/dbraw/zinc/39/15/85/356391585.db2.gz ACASFLZLEIVGFP-INTQDDNPSA-N 1 2 235.287 0.349 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C(C)C ZINC000336574135 356393216 /nfs/dbraw/zinc/39/32/16/356393216.db2.gz IGCUASIUDNADCK-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1C(C)C ZINC000336574135 356393220 /nfs/dbraw/zinc/39/32/20/356393220.db2.gz IGCUASIUDNADCK-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623273219 356398914 /nfs/dbraw/zinc/39/89/14/356398914.db2.gz LAEZAZAGYSMNLH-SNVBAGLBSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639547253 356411088 /nfs/dbraw/zinc/41/10/88/356411088.db2.gz QNLWXCKPALWNRQ-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639547253 356411089 /nfs/dbraw/zinc/41/10/89/356411089.db2.gz QNLWXCKPALWNRQ-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000336634552 356413627 /nfs/dbraw/zinc/41/36/27/356413627.db2.gz IIRQTUQAZOVBCJ-UHFFFAOYSA-N 1 2 223.276 0.625 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1(CO)CC1 ZINC000617896600 356417310 /nfs/dbraw/zinc/41/73/10/356417310.db2.gz WHTVXWFHJPANCG-SECBINFHSA-N 1 2 223.276 0.160 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)on1 ZINC000623277812 356424550 /nfs/dbraw/zinc/42/45/50/356424550.db2.gz FITFGDSLCCBESH-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO Cc1noc(C)c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278704 356427537 /nfs/dbraw/zinc/42/75/37/356427537.db2.gz AVLDHVSFTAYCPE-VIFPVBQESA-N 1 2 246.270 0.843 20 0 BCADLO CCc1n[nH]cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274538 356408158 /nfs/dbraw/zinc/40/81/58/356408158.db2.gz ONWZWGCPBIHJQR-MRVPVSSYSA-N 1 2 245.286 0.523 20 0 BCADLO O=C(CC[C@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274592 356408442 /nfs/dbraw/zinc/40/84/42/356408442.db2.gz QBTFJNQGAFBWEW-CMPLNLGQSA-N 1 2 249.314 0.883 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000639556707 356461267 /nfs/dbraw/zinc/46/12/67/356461267.db2.gz YCZVECSMJOEECO-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000639556707 356461269 /nfs/dbraw/zinc/46/12/69/356461269.db2.gz YCZVECSMJOEECO-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO CN1CC[N@H+](C[C@H](O)CC2CCCC2)CC1=O ZINC000190595930 356444916 /nfs/dbraw/zinc/44/49/16/356444916.db2.gz FOVDXVVEBSBPSG-GFCCVEGCSA-N 1 2 240.347 0.702 20 0 BCADLO CN1CC[N@@H+](C[C@H](O)CC2CCCC2)CC1=O ZINC000190595930 356444920 /nfs/dbraw/zinc/44/49/20/356444920.db2.gz FOVDXVVEBSBPSG-GFCCVEGCSA-N 1 2 240.347 0.702 20 0 BCADLO CN1CC[N@H+](C[C@@H](O)CC2CCCC2)CC1=O ZINC000190595950 356445378 /nfs/dbraw/zinc/44/53/78/356445378.db2.gz FOVDXVVEBSBPSG-LBPRGKRZSA-N 1 2 240.347 0.702 20 0 BCADLO CN1CC[N@@H+](C[C@@H](O)CC2CCCC2)CC1=O ZINC000190595950 356445381 /nfs/dbraw/zinc/44/53/81/356445381.db2.gz FOVDXVVEBSBPSG-LBPRGKRZSA-N 1 2 240.347 0.702 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000420621751 192249837 /nfs/dbraw/zinc/24/98/37/192249837.db2.gz SHONJLSBVFYUIM-LLVKDONJSA-N 1 2 248.330 0.974 20 0 BCADLO CC[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000420793650 192260949 /nfs/dbraw/zinc/26/09/49/192260949.db2.gz LBOHHDPPFIPAQO-MNOVXSKESA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000420793650 192260952 /nfs/dbraw/zinc/26/09/52/192260952.db2.gz LBOHHDPPFIPAQO-MNOVXSKESA-N 1 2 243.351 0.662 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000054638733 181278921 /nfs/dbraw/zinc/27/89/21/181278921.db2.gz GGHLKYYEORDCQY-LBPRGKRZSA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000054638733 181278922 /nfs/dbraw/zinc/27/89/22/181278922.db2.gz GGHLKYYEORDCQY-LBPRGKRZSA-N 1 2 247.298 0.035 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnccn1 ZINC000623282086 356465914 /nfs/dbraw/zinc/46/59/14/356465914.db2.gz MAZOPOUORORAKL-QMMMGPOBSA-N 1 2 229.243 0.028 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccncc1 ZINC000623282385 356467406 /nfs/dbraw/zinc/46/74/06/356467406.db2.gz VUAAKZPUAQMUBY-SNVBAGLBSA-N 1 2 228.255 0.633 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623282436 356467506 /nfs/dbraw/zinc/46/75/06/356467506.db2.gz XVGLGARICPGOGU-VIFPVBQESA-N 1 2 205.261 0.724 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000179334001 366243537 /nfs/dbraw/zinc/24/35/37/366243537.db2.gz VCTFSMPGMMVERP-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000179334001 366243544 /nfs/dbraw/zinc/24/35/44/366243544.db2.gz VCTFSMPGMMVERP-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000065431408 181281854 /nfs/dbraw/zinc/28/18/54/181281854.db2.gz MDIPOUFGYNHUKI-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000065431408 181281856 /nfs/dbraw/zinc/28/18/56/181281856.db2.gz MDIPOUFGYNHUKI-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC000179337915 366244905 /nfs/dbraw/zinc/24/49/05/366244905.db2.gz UWZKAGGDPBSMEP-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccnn1C ZINC000179337915 366244910 /nfs/dbraw/zinc/24/49/10/366244910.db2.gz UWZKAGGDPBSMEP-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000051102644 181283632 /nfs/dbraw/zinc/28/36/32/181283632.db2.gz PJFCKXQVDFUYIY-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000051102644 181283633 /nfs/dbraw/zinc/28/36/33/181283633.db2.gz PJFCKXQVDFUYIY-LLVKDONJSA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1ccccn1 ZINC000271552662 181284350 /nfs/dbraw/zinc/28/43/50/181284350.db2.gz LRIIIAWIAYLJBR-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1Cc1ccccn1 ZINC000271552662 181284352 /nfs/dbraw/zinc/28/43/52/181284352.db2.gz LRIIIAWIAYLJBR-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C)C(C)(C)C1 ZINC000336167925 134113737 /nfs/dbraw/zinc/11/37/37/134113737.db2.gz ZJFQAVPXHNELGS-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C)C(C)(C)C1 ZINC000336167925 134113738 /nfs/dbraw/zinc/11/37/38/134113738.db2.gz ZJFQAVPXHNELGS-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000179360167 366248027 /nfs/dbraw/zinc/24/80/27/366248027.db2.gz SDIMRMLSPDOGBJ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000179360167 366248036 /nfs/dbraw/zinc/24/80/36/366248036.db2.gz SDIMRMLSPDOGBJ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000639588051 356506377 /nfs/dbraw/zinc/50/63/77/356506377.db2.gz NOQCTPBAISPABL-WCBMZHEXSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000639588051 356506381 /nfs/dbraw/zinc/50/63/81/356506381.db2.gz NOQCTPBAISPABL-WCBMZHEXSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000639616595 356533751 /nfs/dbraw/zinc/53/37/51/356533751.db2.gz BGIXZYPQGRIGOL-SRVKXCTJSA-N 1 2 227.304 0.844 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000639616595 356533755 /nfs/dbraw/zinc/53/37/55/356533755.db2.gz BGIXZYPQGRIGOL-SRVKXCTJSA-N 1 2 227.304 0.844 20 0 BCADLO CC1(C)CN(Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000420952129 192278416 /nfs/dbraw/zinc/27/84/16/192278416.db2.gz YQJXTLJABMUYLL-SNVBAGLBSA-N 1 2 225.292 0.381 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000639616596 356533796 /nfs/dbraw/zinc/53/37/96/356533796.db2.gz BGIXZYPQGRIGOL-TUAOUCFPSA-N 1 2 227.304 0.844 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000639616596 356533798 /nfs/dbraw/zinc/53/37/98/356533798.db2.gz BGIXZYPQGRIGOL-TUAOUCFPSA-N 1 2 227.304 0.844 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958142 192279605 /nfs/dbraw/zinc/27/96/05/192279605.db2.gz OYFIDYOWPANAJE-VHSXEESVSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958142 192279608 /nfs/dbraw/zinc/27/96/08/192279608.db2.gz OYFIDYOWPANAJE-VHSXEESVSA-N 1 2 228.292 0.148 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000420956281 192280120 /nfs/dbraw/zinc/28/01/20/192280120.db2.gz YUANPONIAFTDLS-XCBNKYQSSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000420956281 192280123 /nfs/dbraw/zinc/28/01/23/192280123.db2.gz YUANPONIAFTDLS-XCBNKYQSSA-N 1 2 229.711 0.886 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](CO)[C@H](O)C2)[nH+]c1C ZINC000639609838 356528508 /nfs/dbraw/zinc/52/85/08/356528508.db2.gz MJAGCMMIGBJOLY-GHMZBOCLSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)[nH]c1C ZINC000639609838 356528511 /nfs/dbraw/zinc/52/85/11/356528511.db2.gz MJAGCMMIGBJOLY-GHMZBOCLSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)[nH]c1C ZINC000639609838 356528512 /nfs/dbraw/zinc/52/85/12/356528512.db2.gz MJAGCMMIGBJOLY-GHMZBOCLSA-N 1 2 239.319 0.202 20 0 BCADLO CC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000639616135 356534033 /nfs/dbraw/zinc/53/40/33/356534033.db2.gz UTVDMXWHBRJBQX-UHFFFAOYSA-N 1 2 235.287 0.909 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000420918952 192273991 /nfs/dbraw/zinc/27/39/91/192273991.db2.gz AQFNZKQBCKBDHK-VHSXEESVSA-N 1 2 245.710 0.577 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cnccn1 ZINC000639597833 356517219 /nfs/dbraw/zinc/51/72/19/356517219.db2.gz GOJAFSBIGCLZPL-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cnccn1 ZINC000639597833 356517220 /nfs/dbraw/zinc/51/72/20/356517220.db2.gz GOJAFSBIGCLZPL-JTQLQIEISA-N 1 2 234.303 0.182 20 0 BCADLO CCC[N@H+](CC(C)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000639629720 356544504 /nfs/dbraw/zinc/54/45/04/356544504.db2.gz QWUCWFDYERCESD-SECBINFHSA-N 1 2 226.276 0.045 20 0 BCADLO CCC[N@@H+](CC(C)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000639629720 356544507 /nfs/dbraw/zinc/54/45/07/356544507.db2.gz QWUCWFDYERCESD-SECBINFHSA-N 1 2 226.276 0.045 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+](CCO)CC(F)F ZINC000639619940 356535069 /nfs/dbraw/zinc/53/50/69/356535069.db2.gz WIPZVGDZBRWMKP-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000639619940 356535072 /nfs/dbraw/zinc/53/50/72/356535072.db2.gz WIPZVGDZBRWMKP-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)no1 ZINC000623295473 356537332 /nfs/dbraw/zinc/53/73/32/356537332.db2.gz JOUAOVCDMAFWEY-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)o1 ZINC000449770020 202029593 /nfs/dbraw/zinc/02/95/93/202029593.db2.gz IEKHNZSOEUTYIC-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)o1 ZINC000449770020 202029596 /nfs/dbraw/zinc/02/95/96/202029596.db2.gz IEKHNZSOEUTYIC-SNVBAGLBSA-N 1 2 238.287 0.664 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C2CC2)O1 ZINC000336191078 134123499 /nfs/dbraw/zinc/12/34/99/134123499.db2.gz KIHWEWAEJGFFGP-MWLCHTKSSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C2CC2)O1 ZINC000336191078 134123500 /nfs/dbraw/zinc/12/35/00/134123500.db2.gz KIHWEWAEJGFFGP-MWLCHTKSSA-N 1 2 226.320 0.574 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000639622256 356541822 /nfs/dbraw/zinc/54/18/22/356541822.db2.gz ZECVAIGRSFCGGK-QWRGUYRKSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000639622256 356541824 /nfs/dbraw/zinc/54/18/24/356541824.db2.gz ZECVAIGRSFCGGK-QWRGUYRKSA-N 1 2 213.277 0.455 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)on1 ZINC000623297719 356550789 /nfs/dbraw/zinc/55/07/89/356550789.db2.gz LVPIWOPYZMFPCD-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299112 356556561 /nfs/dbraw/zinc/55/65/61/356556561.db2.gz QSDJFYYZHCFWLN-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO CCN1CC(=O)N[C@@H]1c1cc(OC)cc(C)[nH+]1 ZINC000352280397 134129530 /nfs/dbraw/zinc/12/95/30/134129530.db2.gz QTJFBYXBYYSYPG-LBPRGKRZSA-N 1 2 235.287 0.849 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299748 356559555 /nfs/dbraw/zinc/55/95/55/356559555.db2.gz CCNKMRJREAUSCD-MWLCHTKSSA-N 1 2 237.303 0.475 20 0 BCADLO CC(=O)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000639651010 356561635 /nfs/dbraw/zinc/56/16/35/356561635.db2.gz MCDQQSACGSVWRY-NSHDSACASA-N 1 2 240.347 0.761 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCc1cnccn1 ZINC000639658984 356567136 /nfs/dbraw/zinc/56/71/36/356567136.db2.gz FWCSJFIAANICTL-JTQLQIEISA-N 1 2 207.277 0.740 20 0 BCADLO C[C@H]1COCC[N@H+]1CCc1cnccn1 ZINC000639658984 356567139 /nfs/dbraw/zinc/56/71/39/356567139.db2.gz FWCSJFIAANICTL-JTQLQIEISA-N 1 2 207.277 0.740 20 0 BCADLO O[C@H]1C[C@@H](C[NH2+]c2ccc(-n3cnnn3)cc2)C1 ZINC000421190197 192314598 /nfs/dbraw/zinc/31/45/98/192314598.db2.gz QCZLKMSEBBBFDW-WVSHTKLVSA-N 1 2 245.286 0.845 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC(C)=O ZINC000639652436 356563754 /nfs/dbraw/zinc/56/37/54/356563754.db2.gz QHXGMOBPJGIUSJ-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC(C)=O ZINC000639652436 356563756 /nfs/dbraw/zinc/56/37/56/356563756.db2.gz QHXGMOBPJGIUSJ-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000639667202 356574897 /nfs/dbraw/zinc/57/48/97/356574897.db2.gz CDKNLQUXELYDNL-SNVBAGLBSA-N 1 2 227.308 0.311 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000639667202 356574900 /nfs/dbraw/zinc/57/49/00/356574900.db2.gz CDKNLQUXELYDNL-SNVBAGLBSA-N 1 2 227.308 0.311 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301445 356576524 /nfs/dbraw/zinc/57/65/24/356576524.db2.gz LWZZAFUVSKBJJA-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301945 356577643 /nfs/dbraw/zinc/57/76/43/356577643.db2.gz WPGXNIFIOGKTDZ-NSHDSACASA-N 1 2 249.314 0.741 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301964 356577786 /nfs/dbraw/zinc/57/77/86/356577786.db2.gz WZZAWASEBKWWDA-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cn[nH]c1 ZINC000623302245 356582309 /nfs/dbraw/zinc/58/23/09/356582309.db2.gz BXBHGXWKPYLWIR-SECBINFHSA-N 1 2 231.259 0.351 20 0 BCADLO COCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302693 356583187 /nfs/dbraw/zinc/58/31/87/356583187.db2.gz MOLWIXADZNATRL-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)[nH]n1 ZINC000623302705 356583295 /nfs/dbraw/zinc/58/32/95/356583295.db2.gz MYLLOXAUQCHSSI-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304070 356594507 /nfs/dbraw/zinc/59/45/07/356594507.db2.gz PXBVBTFAMSEEAS-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO COCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303680 356594564 /nfs/dbraw/zinc/59/45/64/356594564.db2.gz IKZVZDCHTKCOBO-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCNC(=O)C2)c1 ZINC000336217334 134137574 /nfs/dbraw/zinc/13/75/74/134137574.db2.gz BKINIUDFJGUAAS-UHFFFAOYSA-N 1 2 218.300 0.969 20 0 BCADLO Cc1cccc(CC[N@H+]2CCNC(=O)C2)c1 ZINC000336217334 134137575 /nfs/dbraw/zinc/13/75/75/134137575.db2.gz BKINIUDFJGUAAS-UHFFFAOYSA-N 1 2 218.300 0.969 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCCO1 ZINC000623307754 356612794 /nfs/dbraw/zinc/61/27/94/356612794.db2.gz NSQPTQPQTZQTCY-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)COC1 ZINC000623304615 356597677 /nfs/dbraw/zinc/59/76/77/356597677.db2.gz BFDCOFRLIBBJTP-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc[nH]c1 ZINC000623304575 356597702 /nfs/dbraw/zinc/59/77/02/356597702.db2.gz APGPUSIMIFQFQT-SNVBAGLBSA-N 1 2 230.271 0.956 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000623304926 356598894 /nfs/dbraw/zinc/59/88/94/356598894.db2.gz IHNQQBBNVCDSME-MFKMUULPSA-N 1 2 249.314 0.741 20 0 BCADLO CC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639694775 356603692 /nfs/dbraw/zinc/60/36/92/356603692.db2.gz LYKZAFVPLICUNO-IVZWLZJFSA-N 1 2 212.293 0.515 20 0 BCADLO CC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639694775 356603694 /nfs/dbraw/zinc/60/36/94/356603694.db2.gz LYKZAFVPLICUNO-IVZWLZJFSA-N 1 2 212.293 0.515 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305822 356606733 /nfs/dbraw/zinc/60/67/33/356606733.db2.gz AIYQGBDRNZYKKG-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO CCN1[C@H](C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1C ZINC000639742787 356631623 /nfs/dbraw/zinc/63/16/23/356631623.db2.gz BYZBMMFESQEGKF-OUAUKWLOSA-N 1 2 225.336 0.289 20 0 BCADLO CCN1[C@H](C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1C ZINC000639742787 356631627 /nfs/dbraw/zinc/63/16/27/356631627.db2.gz BYZBMMFESQEGKF-OUAUKWLOSA-N 1 2 225.336 0.289 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1csnn1 ZINC000623309252 356618148 /nfs/dbraw/zinc/61/81/48/356618148.db2.gz UKQIEUDCILHXCX-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000613578542 363521841 /nfs/dbraw/zinc/52/18/41/363521841.db2.gz CKIXWXIMSJYKJA-BDAKNGLRSA-N 1 2 223.276 0.748 20 0 BCADLO CC[C@@H](NC(=O)[C@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000613578546 363522015 /nfs/dbraw/zinc/52/20/15/363522015.db2.gz CKIXWXIMSJYKJA-RKDXNWHRSA-N 1 2 223.276 0.748 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](COC)OC)c1[nH]cc[nH+]1 ZINC000613579311 363522753 /nfs/dbraw/zinc/52/27/53/363522753.db2.gz LULHRWZMXHJFEX-RKDXNWHRSA-N 1 2 241.291 0.638 20 0 BCADLO c1cc(C[NH+]2CCN(c3nc[nH]n3)CC2)on1 ZINC000639728294 356621709 /nfs/dbraw/zinc/62/17/09/356621709.db2.gz FQDFORDIFSWASS-UHFFFAOYSA-N 1 2 234.263 0.115 20 0 BCADLO c1nc(N2CC[NH+](Cc3cccnc3)CC2)n[nH]1 ZINC000639730720 356624393 /nfs/dbraw/zinc/62/43/93/356624393.db2.gz PHKPJPOQVRPOJS-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)S(C)(=O)=O ZINC000450288981 202121486 /nfs/dbraw/zinc/12/14/86/202121486.db2.gz RLNOUNCLHNDDRN-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)S(C)(=O)=O ZINC000450288981 202121488 /nfs/dbraw/zinc/12/14/88/202121488.db2.gz RLNOUNCLHNDDRN-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO O=S1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000049692303 356652875 /nfs/dbraw/zinc/65/28/75/356652875.db2.gz IZVGLALIQYBQSO-UHFFFAOYSA-N 1 2 226.301 0.143 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000582241098 356671628 /nfs/dbraw/zinc/67/16/28/356671628.db2.gz BULOPRDNZSPXIJ-LLVKDONJSA-N 1 2 245.269 0.807 20 0 BCADLO CCC[C@@H](O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000450365660 202144577 /nfs/dbraw/zinc/14/45/77/202144577.db2.gz RCOUWEMXMHDVNM-CHWSQXEVSA-N 1 2 244.379 0.800 20 0 BCADLO CCC[C@@H](O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000450365660 202144580 /nfs/dbraw/zinc/14/45/80/202144580.db2.gz RCOUWEMXMHDVNM-CHWSQXEVSA-N 1 2 244.379 0.800 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000582260123 356695121 /nfs/dbraw/zinc/69/51/21/356695121.db2.gz FMCUVFAMYKPMQZ-GFCCVEGCSA-N 1 2 249.314 0.600 20 0 BCADLO CC(C)CNC(=O)Cc1noc(C[NH+](C)C)n1 ZINC000350777529 366335132 /nfs/dbraw/zinc/33/51/32/366335132.db2.gz PLXOCBDOGXFRLE-UHFFFAOYSA-N 1 2 240.307 0.446 20 0 BCADLO CC[N@H+](Cc1ccnc(C)n1)[C@H]1CCNC1=O ZINC000353327958 356710069 /nfs/dbraw/zinc/71/00/69/356710069.db2.gz FPHSGQMPYQOKFR-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1ccnc(C)n1)[C@H]1CCNC1=O ZINC000353327958 356710072 /nfs/dbraw/zinc/71/00/72/356710072.db2.gz FPHSGQMPYQOKFR-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO C[N@H+](CC(=O)N1CCC1)Cc1ccns1 ZINC000639787407 356740044 /nfs/dbraw/zinc/74/00/44/356740044.db2.gz NNYCECLQRKMBGY-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO C[N@@H+](CC(=O)N1CCC1)Cc1ccns1 ZINC000639787407 356740046 /nfs/dbraw/zinc/74/00/46/356740046.db2.gz NNYCECLQRKMBGY-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO C[N@H+](CCN1CCNC1=O)Cc1ccns1 ZINC000639807581 356777016 /nfs/dbraw/zinc/77/70/16/356777016.db2.gz JHVQAFQITFDQLQ-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO C[N@@H+](CCN1CCNC1=O)Cc1ccns1 ZINC000639807581 356777018 /nfs/dbraw/zinc/77/70/18/356777018.db2.gz JHVQAFQITFDQLQ-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1COCCO1)C1CC1 ZINC000450473933 202176264 /nfs/dbraw/zinc/17/62/64/202176264.db2.gz IMXKXPCCOQAAOJ-JTQLQIEISA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1COCCO1)C1CC1 ZINC000450473933 202176267 /nfs/dbraw/zinc/17/62/67/202176267.db2.gz IMXKXPCCOQAAOJ-JTQLQIEISA-N 1 2 229.276 0.039 20 0 BCADLO CCC[C@@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000450475885 202176407 /nfs/dbraw/zinc/17/64/07/202176407.db2.gz LGBDXXISMHNSMX-SNVBAGLBSA-N 1 2 215.293 0.785 20 0 BCADLO CCC[C@@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000450475885 202176409 /nfs/dbraw/zinc/17/64/09/202176409.db2.gz LGBDXXISMHNSMX-SNVBAGLBSA-N 1 2 215.293 0.785 20 0 BCADLO CCc1nc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000354924583 356746085 /nfs/dbraw/zinc/74/60/85/356746085.db2.gz WNCGXSCOCDINDN-UHFFFAOYSA-N 1 2 234.263 0.662 20 0 BCADLO CCc1nnc(NC(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000354924583 356746088 /nfs/dbraw/zinc/74/60/88/356746088.db2.gz WNCGXSCOCDINDN-UHFFFAOYSA-N 1 2 234.263 0.662 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)[nH]1 ZINC000355085140 356750071 /nfs/dbraw/zinc/75/00/71/356750071.db2.gz YUIGSWZCEHLDDT-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)[nH]1 ZINC000355085140 356750074 /nfs/dbraw/zinc/75/00/74/356750074.db2.gz YUIGSWZCEHLDDT-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO CC[NH+]1CCN(C(=O)c2coc(OC)n2)CC1 ZINC000623349247 356765411 /nfs/dbraw/zinc/76/54/11/356765411.db2.gz XRBDWSURABWYDH-UHFFFAOYSA-N 1 2 239.275 0.461 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)NCC1CC1 ZINC000054343305 363567126 /nfs/dbraw/zinc/56/71/26/363567126.db2.gz MNLUKKLXCMNCMW-RYUDHWBXSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)NCC1CC1 ZINC000054343305 363567131 /nfs/dbraw/zinc/56/71/31/363567131.db2.gz MNLUKKLXCMNCMW-RYUDHWBXSA-N 1 2 238.331 0.766 20 0 BCADLO Cc1nccnc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000613654434 363567355 /nfs/dbraw/zinc/56/73/55/363567355.db2.gz AVFBPXVHFYEUJK-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO CCc1nc(C(=O)NCCc2[nH]cc[nH+]2)co1 ZINC000356087303 356788834 /nfs/dbraw/zinc/78/88/34/356788834.db2.gz CZIRVQZOKXCFQA-UHFFFAOYSA-N 1 2 234.259 0.933 20 0 BCADLO CCc1nc(C(=O)NCc2[nH+]ccn2C)co1 ZINC000356321548 356792955 /nfs/dbraw/zinc/79/29/55/356792955.db2.gz NNLYHIRIXIOYMO-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639839059 356833642 /nfs/dbraw/zinc/83/36/42/356833642.db2.gz HEYPIDYCMARCMX-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639839059 356833647 /nfs/dbraw/zinc/83/36/47/356833647.db2.gz HEYPIDYCMARCMX-VIFPVBQESA-N 1 2 220.276 0.360 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCOCC1)CC2 ZINC000623359985 356802455 /nfs/dbraw/zinc/80/24/55/356802455.db2.gz MTEMEUNZTPGKCM-NSHDSACASA-N 1 2 249.314 0.613 20 0 BCADLO COC(=O)C[N@H+](CC[C@@H](C)O)C1CC1 ZINC000450472110 202178353 /nfs/dbraw/zinc/17/83/53/202178353.db2.gz DTIFKHMYLZIXSO-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO COC(=O)C[N@@H+](CC[C@@H](C)O)C1CC1 ZINC000450472110 202178356 /nfs/dbraw/zinc/17/83/56/202178356.db2.gz DTIFKHMYLZIXSO-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CO[C@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000639833716 356820659 /nfs/dbraw/zinc/82/06/59/356820659.db2.gz QZFQCGMMMSHXRO-GFCCVEGCSA-N 1 2 238.287 0.153 20 0 BCADLO CO[C@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000639833716 356820662 /nfs/dbraw/zinc/82/06/62/356820662.db2.gz QZFQCGMMMSHXRO-GFCCVEGCSA-N 1 2 238.287 0.153 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000639836885 356823158 /nfs/dbraw/zinc/82/31/58/356823158.db2.gz KFYMESYJTUHJCN-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000639836885 356823163 /nfs/dbraw/zinc/82/31/63/356823163.db2.gz KFYMESYJTUHJCN-JTQLQIEISA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000639834813 356824334 /nfs/dbraw/zinc/82/43/34/356824334.db2.gz CWTXPEYMFATUTE-RKDXNWHRSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000639834813 356824338 /nfs/dbraw/zinc/82/43/38/356824338.db2.gz CWTXPEYMFATUTE-RKDXNWHRSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000639837478 356830254 /nfs/dbraw/zinc/83/02/54/356830254.db2.gz YPYNDYRWRTVGPA-NXEZZACHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000639837478 356830258 /nfs/dbraw/zinc/83/02/58/356830258.db2.gz YPYNDYRWRTVGPA-NXEZZACHSA-N 1 2 201.266 0.470 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOC[C@H]1CCCO1 ZINC000152197083 356866722 /nfs/dbraw/zinc/86/67/22/356866722.db2.gz YVTXLWJNQMTKCU-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000152197083 356866727 /nfs/dbraw/zinc/86/67/27/356866727.db2.gz YVTXLWJNQMTKCU-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@H](O)[C@H](C)[NH+]1CC(OCC(F)F)C1 ZINC000353017484 538731587 /nfs/dbraw/zinc/73/15/87/538731587.db2.gz XKJAUGDKZSGLSI-BQBZGAKWSA-N 1 2 209.236 0.722 20 0 BCADLO C[C@@H](O)[C@H](C)[NH+]1CC(OCC(F)F)C1 ZINC000353017485 538731766 /nfs/dbraw/zinc/73/17/66/538731766.db2.gz XKJAUGDKZSGLSI-NKWVEPMBSA-N 1 2 209.236 0.722 20 0 BCADLO C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000623370722 356875862 /nfs/dbraw/zinc/87/58/62/356875862.db2.gz XVVKXQQBSXYWPU-KOLCDFICSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000623370722 356875865 /nfs/dbraw/zinc/87/58/65/356875865.db2.gz XVVKXQQBSXYWPU-KOLCDFICSA-N 1 2 241.335 0.415 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cnn[nH]2)CC[C@H]1C ZINC000660376447 538707826 /nfs/dbraw/zinc/70/78/26/538707826.db2.gz OOMQRFRIGRHGHK-MWLCHTKSSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@H]1C ZINC000660376447 538707833 /nfs/dbraw/zinc/70/78/33/538707833.db2.gz OOMQRFRIGRHGHK-MWLCHTKSSA-N 1 2 224.308 0.704 20 0 BCADLO c1ncn(CC[N@@H+]2CCC[C@@H]2c2ncccn2)n1 ZINC000639842371 356836407 /nfs/dbraw/zinc/83/64/07/356836407.db2.gz DEYWUJYJTCLLTR-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO c1ncn(CC[N@H+]2CCC[C@@H]2c2ncccn2)n1 ZINC000639842371 356836409 /nfs/dbraw/zinc/83/64/09/356836409.db2.gz DEYWUJYJTCLLTR-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO Cn1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000352098477 538716828 /nfs/dbraw/zinc/71/68/28/538716828.db2.gz RATFVKXZIUIPDY-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO Cn1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000352098477 538716835 /nfs/dbraw/zinc/71/68/35/538716835.db2.gz RATFVKXZIUIPDY-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000450554275 202196641 /nfs/dbraw/zinc/19/66/41/202196641.db2.gz LNJCKVIOPPKFOF-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000450554275 202196645 /nfs/dbraw/zinc/19/66/45/202196645.db2.gz LNJCKVIOPPKFOF-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC(=O)[C@](C)(O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000450557573 202196912 /nfs/dbraw/zinc/19/69/12/202196912.db2.gz BNUQZPZYZUDECR-QWHCGFSZSA-N 1 2 240.347 0.497 20 0 BCADLO CC(=O)[C@](C)(O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000450557573 202196914 /nfs/dbraw/zinc/19/69/14/202196914.db2.gz BNUQZPZYZUDECR-QWHCGFSZSA-N 1 2 240.347 0.497 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1nnnn1C ZINC000361275789 356923397 /nfs/dbraw/zinc/92/33/97/356923397.db2.gz AYZXQGNKGDSUSN-JTQLQIEISA-N 1 2 241.339 0.439 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000361275789 356923398 /nfs/dbraw/zinc/92/33/98/356923398.db2.gz AYZXQGNKGDSUSN-JTQLQIEISA-N 1 2 241.339 0.439 20 0 BCADLO CC1(C)COCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000361384427 356929165 /nfs/dbraw/zinc/92/91/65/356929165.db2.gz KFEKSTLPOSGKPK-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO CC1(C)COCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000361384427 356929168 /nfs/dbraw/zinc/92/91/68/356929168.db2.gz KFEKSTLPOSGKPK-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@](C)([NH2+]CCn1cncn1)C(=O)OC ZINC000293321703 491105433 /nfs/dbraw/zinc/10/54/33/491105433.db2.gz WGIQSTWLGAODAI-JTQLQIEISA-N 1 2 226.280 0.209 20 0 BCADLO Cc1nc(N2CC3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000450576654 202204117 /nfs/dbraw/zinc/20/41/17/202204117.db2.gz AVHXRTROVJTPII-UHFFFAOYSA-N 1 2 219.292 0.846 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC3(CC3)C2)[nH+]1 ZINC000450576654 202204119 /nfs/dbraw/zinc/20/41/19/202204119.db2.gz AVHXRTROVJTPII-UHFFFAOYSA-N 1 2 219.292 0.846 20 0 BCADLO C[N@@H+]1CCN([C@H]2C=CCCC2)[C@H](CO)C1 ZINC000639872274 357041991 /nfs/dbraw/zinc/04/19/91/357041991.db2.gz VCOXDQYWYWHKCS-RYUDHWBXSA-N 1 2 210.321 0.703 20 0 BCADLO C[N@H+]1CCN([C@H]2C=CCCC2)[C@H](CO)C1 ZINC000639872274 357041994 /nfs/dbraw/zinc/04/19/94/357041994.db2.gz VCOXDQYWYWHKCS-RYUDHWBXSA-N 1 2 210.321 0.703 20 0 BCADLO CC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000639867812 357001355 /nfs/dbraw/zinc/00/13/55/357001355.db2.gz OYUVIGZGNQEALE-UHFFFAOYSA-N 1 2 232.283 0.733 20 0 BCADLO CC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000639867812 357001360 /nfs/dbraw/zinc/00/13/60/357001360.db2.gz OYUVIGZGNQEALE-UHFFFAOYSA-N 1 2 232.283 0.733 20 0 BCADLO CC1(C)C[N@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000370041025 357003703 /nfs/dbraw/zinc/00/37/03/357003703.db2.gz OCJQOASEHVCBIL-LBPRGKRZSA-N 1 2 242.319 0.132 20 0 BCADLO CC1(C)C[N@@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000370041025 357003711 /nfs/dbraw/zinc/00/37/11/357003711.db2.gz OCJQOASEHVCBIL-LBPRGKRZSA-N 1 2 242.319 0.132 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(C1CC1)C1COC1 ZINC000582282947 357013536 /nfs/dbraw/zinc/01/35/36/357013536.db2.gz HDPVFVATNZXMMW-UHFFFAOYSA-N 1 2 221.260 0.273 20 0 BCADLO O=C(Nc1cnns1)[C@H]1CCc2c[nH+]cn2C1 ZINC000582362436 357102495 /nfs/dbraw/zinc/10/24/95/357102495.db2.gz HJGDMVMVJWBJSI-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO CCn1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000582360941 357105237 /nfs/dbraw/zinc/10/52/37/357105237.db2.gz AZAGUURUCCZMES-UHFFFAOYSA-N 1 2 233.275 0.530 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000355255798 538790473 /nfs/dbraw/zinc/79/04/73/538790473.db2.gz MSLSIGJYRVJZGC-WCBMZHEXSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000355262738 538791225 /nfs/dbraw/zinc/79/12/25/538791225.db2.gz GZSRKCIQAUJMTC-YUMQZZPRSA-N 1 2 229.230 0.938 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000355271909 538792104 /nfs/dbraw/zinc/79/21/04/538792104.db2.gz UEWMEJMLDGXTNL-VIFPVBQESA-N 1 2 225.292 0.709 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000355274666 538793118 /nfs/dbraw/zinc/79/31/18/538793118.db2.gz XJEKJSMKKLCECT-NGZCFLSTSA-N 1 2 237.303 0.850 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392360575 357147368 /nfs/dbraw/zinc/14/73/68/357147368.db2.gz QOTYLDMSLGJLRD-GJMOJQLCSA-N 1 2 208.265 0.789 20 0 BCADLO CN1C[C@H](Nc2cc[nH+]c3ccncc23)CC1=O ZINC000582395641 357128034 /nfs/dbraw/zinc/12/80/34/357128034.db2.gz FMJICAAYGWMINZ-SECBINFHSA-N 1 2 242.282 0.694 20 0 BCADLO C[N@H+](C/C=C/Cl)[C@H]1CCS(=O)(=O)C1 ZINC000041392874 357129711 /nfs/dbraw/zinc/12/97/11/357129711.db2.gz HFSFXJGLHWLOLF-KHVHVRLGSA-N 1 2 223.725 0.858 20 0 BCADLO C[N@@H+](C/C=C/Cl)[C@H]1CCS(=O)(=O)C1 ZINC000041392874 357129712 /nfs/dbraw/zinc/12/97/12/357129712.db2.gz HFSFXJGLHWLOLF-KHVHVRLGSA-N 1 2 223.725 0.858 20 0 BCADLO COCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000356795723 538817867 /nfs/dbraw/zinc/81/78/67/538817867.db2.gz AKAPNBUYJKGJKI-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(O)cc1 ZINC000356765062 538816045 /nfs/dbraw/zinc/81/60/45/538816045.db2.gz HAHFMOBPMVNXSB-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO CC(=O)CCCC(=O)NCc1c[nH+]cn1C ZINC000356783520 538817990 /nfs/dbraw/zinc/81/79/90/538817990.db2.gz SAOAHUAFCAIQGT-UHFFFAOYSA-N 1 2 223.276 0.796 20 0 BCADLO COCCOCC[N@H+](CCO)Cc1cocn1 ZINC000628421629 357242562 /nfs/dbraw/zinc/24/25/62/357242562.db2.gz LODBIKNFZHBWIJ-UHFFFAOYSA-N 1 2 244.291 0.132 20 0 BCADLO COCCOCC[N@@H+](CCO)Cc1cocn1 ZINC000628421629 357242565 /nfs/dbraw/zinc/24/25/65/357242565.db2.gz LODBIKNFZHBWIJ-UHFFFAOYSA-N 1 2 244.291 0.132 20 0 BCADLO O=C(NCc1cc[nH]n1)[C@H]1CCc2c[nH+]cn2C1 ZINC000582727096 357373249 /nfs/dbraw/zinc/37/32/49/357373249.db2.gz ABJBDPOPNFCHIV-VIFPVBQESA-N 1 2 245.286 0.485 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000639900137 357312188 /nfs/dbraw/zinc/31/21/88/357312188.db2.gz QEVPPABKLLQKIS-BXKDBHETSA-N 1 2 233.271 0.410 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)O1 ZINC000582671965 357359918 /nfs/dbraw/zinc/35/99/18/357359918.db2.gz ZHUAESDJDNMZPU-OUAUKWLOSA-N 1 2 237.303 0.813 20 0 BCADLO COC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000582701408 357365658 /nfs/dbraw/zinc/36/56/58/357365658.db2.gz XZWAZQFTANJMSQ-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO Cn1ccnc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000582699538 357365718 /nfs/dbraw/zinc/36/57/18/357365718.db2.gz KMOCNOOWCXVWRT-UHFFFAOYSA-N 1 2 230.231 0.715 20 0 BCADLO CS(=O)(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC000628428056 357400638 /nfs/dbraw/zinc/40/06/38/357400638.db2.gz IJHKXNIYAMRTLZ-UHFFFAOYSA-N 1 2 240.328 0.420 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000618701554 357405711 /nfs/dbraw/zinc/40/57/11/357405711.db2.gz JGRIMEIXJWUGQS-ZYHUDNBSSA-N 1 2 235.287 0.378 20 0 BCADLO COCC1(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000583177583 357503103 /nfs/dbraw/zinc/50/31/03/357503103.db2.gz OGCQLTNALMCOOR-UHFFFAOYSA-N 1 2 238.291 0.398 20 0 BCADLO CCc1cnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)o1 ZINC000583003392 357455050 /nfs/dbraw/zinc/45/50/50/357455050.db2.gz UKXLAZQTFJUGIP-GZMMTYOYSA-N 1 2 237.303 0.851 20 0 BCADLO CCc1ncncc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000583009192 357459514 /nfs/dbraw/zinc/45/95/14/357459514.db2.gz VHSNCBKXUSMWPK-UHFFFAOYSA-N 1 2 248.330 0.861 20 0 BCADLO Cc1cc(C[C@@H](C)NC(=O)Cn2cc[nH+]c2)[nH]n1 ZINC000583066737 357471863 /nfs/dbraw/zinc/47/18/63/357471863.db2.gz IWMUOEZTMNDHQG-SECBINFHSA-N 1 2 247.302 0.662 20 0 BCADLO Cc1cc(C[C@@H](C)NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000583066737 357471869 /nfs/dbraw/zinc/47/18/69/357471869.db2.gz IWMUOEZTMNDHQG-SECBINFHSA-N 1 2 247.302 0.662 20 0 BCADLO CCn1ccnc1NC(=O)Cn1cc[nH+]c1 ZINC000583089633 357477489 /nfs/dbraw/zinc/47/74/89/357477489.db2.gz JZGLUKZKMFZMBL-UHFFFAOYSA-N 1 2 219.248 0.738 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@H](CO)C1 ZINC000396955124 357487385 /nfs/dbraw/zinc/48/73/85/357487385.db2.gz BJCNXPGJTCFATA-VHSXEESVSA-N 1 2 238.287 0.270 20 0 BCADLO COCCCCN(C)c1nc[nH+]c(N)c1OC ZINC000397364254 357513561 /nfs/dbraw/zinc/51/35/61/357513561.db2.gz OMTNTHVKYVQOBX-UHFFFAOYSA-N 1 2 240.307 0.930 20 0 BCADLO COCCCCN(C)c1[nH+]cnc(N)c1OC ZINC000397364254 357513565 /nfs/dbraw/zinc/51/35/65/357513565.db2.gz OMTNTHVKYVQOBX-UHFFFAOYSA-N 1 2 240.307 0.930 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CC[C@H](C)O2)CCO1 ZINC000188528013 357558836 /nfs/dbraw/zinc/55/88/36/357558836.db2.gz IKSMXNAKSVCEIZ-AXFHLTTASA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C)O2)CCO1 ZINC000188528013 357558837 /nfs/dbraw/zinc/55/88/37/357558837.db2.gz IKSMXNAKSVCEIZ-AXFHLTTASA-N 1 2 243.303 0.428 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CCN(C)C(=O)C2)O1 ZINC000188555039 357561370 /nfs/dbraw/zinc/56/13/70/357561370.db2.gz WDBMVGJNTBHQTJ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CCN(C)C(=O)C2)O1 ZINC000188555039 357561373 /nfs/dbraw/zinc/56/13/73/357561373.db2.gz WDBMVGJNTBHQTJ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000158843703 538869239 /nfs/dbraw/zinc/86/92/39/538869239.db2.gz MLWYIDICNCCIPE-SECBINFHSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000158843703 538869243 /nfs/dbraw/zinc/86/92/43/538869243.db2.gz MLWYIDICNCCIPE-SECBINFHSA-N 1 2 224.308 0.570 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000583228718 357646885 /nfs/dbraw/zinc/64/68/85/357646885.db2.gz OZVFYOPYUQCSLF-ONGXEEELSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@H]1OCC[C@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000583228716 357646901 /nfs/dbraw/zinc/64/69/01/357646901.db2.gz OZVFYOPYUQCSLF-KOLCDFICSA-N 1 2 223.276 0.567 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000189650191 357654850 /nfs/dbraw/zinc/65/48/50/357654850.db2.gz FVFRNGLAEFHHEZ-NEPJUHHUSA-N 1 2 239.363 0.539 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC(C)(C)C ZINC000189342483 357634095 /nfs/dbraw/zinc/63/40/95/357634095.db2.gz GJIFMMMJNQEYLE-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000189342483 357634099 /nfs/dbraw/zinc/63/40/99/357634099.db2.gz GJIFMMMJNQEYLE-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H](O)CN1CC[NH+](CCc2cccnc2)CC1 ZINC000189368097 357635283 /nfs/dbraw/zinc/63/52/83/357635283.db2.gz YMBWUTYXICHRAB-CYBMUJFWSA-N 1 2 249.358 0.623 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H](C)O1 ZINC000190554498 357715036 /nfs/dbraw/zinc/71/50/36/357715036.db2.gz BQOXKMKHPLPCBT-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H]1CC[C@@H](C)O1 ZINC000190554498 357715039 /nfs/dbraw/zinc/71/50/39/357715039.db2.gz BQOXKMKHPLPCBT-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1cc(N2C[C@@H](O)[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000232762928 357681230 /nfs/dbraw/zinc/68/12/30/357681230.db2.gz NBCVKXXPLKSIDW-NXEZZACHSA-N 1 2 237.303 0.450 20 0 BCADLO CCN1CCC[N@H+](CC(=O)NC(C)C)CC1=O ZINC000190170925 357691329 /nfs/dbraw/zinc/69/13/29/357691329.db2.gz VAKPQYMUANKIIQ-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCN1CCC[N@@H+](CC(=O)NC(C)C)CC1=O ZINC000190170925 357691332 /nfs/dbraw/zinc/69/13/32/357691332.db2.gz VAKPQYMUANKIIQ-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000190344952 357701752 /nfs/dbraw/zinc/70/17/52/357701752.db2.gz JEZNQQHZNNELRU-WDEREUQCSA-N 1 2 243.303 0.354 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000190344952 357701756 /nfs/dbraw/zinc/70/17/56/357701756.db2.gz JEZNQQHZNNELRU-WDEREUQCSA-N 1 2 243.303 0.354 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191156767 357739017 /nfs/dbraw/zinc/73/90/17/357739017.db2.gz DKRITAJHTWFPMW-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CCCN(C)C(=O)C1 ZINC000191156767 357739021 /nfs/dbraw/zinc/73/90/21/357739021.db2.gz DKRITAJHTWFPMW-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191076371 357747169 /nfs/dbraw/zinc/74/71/69/357747169.db2.gz HONPKXMQXMBIHA-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1nccc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000191076371 357747171 /nfs/dbraw/zinc/74/71/71/357747171.db2.gz HONPKXMQXMBIHA-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000191270839 357760217 /nfs/dbraw/zinc/76/02/17/357760217.db2.gz JHEGUXDJQNUUKE-NSHDSACASA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000191270839 357760223 /nfs/dbraw/zinc/76/02/23/357760223.db2.gz JHEGUXDJQNUUKE-NSHDSACASA-N 1 2 238.335 0.990 20 0 BCADLO Cc1ocnc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000397896718 357791247 /nfs/dbraw/zinc/79/12/47/357791247.db2.gz QGXZBZQQKSFHGM-ZETCQYMHSA-N 1 2 224.182 0.996 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000191918405 357805366 /nfs/dbraw/zinc/80/53/66/357805366.db2.gz MJXFQZRAVAOTIU-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC000191918405 357805367 /nfs/dbraw/zinc/80/53/67/357805367.db2.gz MJXFQZRAVAOTIU-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)OCC1CC1 ZINC000192902754 357852878 /nfs/dbraw/zinc/85/28/78/357852878.db2.gz FTIZYMQZRGZMIC-NSHDSACASA-N 1 2 239.319 0.122 20 0 BCADLO Cn1nnc(C[NH2+]Cc2ccc3cc[nH]c3c2)n1 ZINC000398035608 357829654 /nfs/dbraw/zinc/82/96/54/357829654.db2.gz MVHJISQOZUUPOC-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO CC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000583281856 357829805 /nfs/dbraw/zinc/82/98/05/357829805.db2.gz BDRHYZXPMNIOKI-LBPRGKRZSA-N 1 2 237.303 0.336 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C12CCC2 ZINC000398103422 357837437 /nfs/dbraw/zinc/83/74/37/357837437.db2.gz IYFINNUWPWPYMD-BDAKNGLRSA-N 1 2 237.307 0.257 20 0 BCADLO C[C@H](CO)CSCC(=O)N1CC[NH+](C)CC1 ZINC000085139123 134224191 /nfs/dbraw/zinc/22/41/91/134224191.db2.gz HWVUMHCFUDHODL-SNVBAGLBSA-N 1 2 246.376 0.122 20 0 BCADLO COc1ncccc1C[N@@H+]1CCNC(=O)CC1 ZINC000193333524 357878183 /nfs/dbraw/zinc/87/81/83/357878183.db2.gz UMODPJXEHPRRRH-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ncccc1C[N@H+]1CCNC(=O)CC1 ZINC000193333524 357878187 /nfs/dbraw/zinc/87/81/87/357878187.db2.gz UMODPJXEHPRRRH-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO CSc1nc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000583726799 357910767 /nfs/dbraw/zinc/91/07/67/357910767.db2.gz HIYCLLNAYVBCFV-UHFFFAOYSA-N 1 2 238.276 0.362 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168614719 134232171 /nfs/dbraw/zinc/23/21/71/134232171.db2.gz CYVXYHOYSOJNCP-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938065 357943646 /nfs/dbraw/zinc/94/36/46/357943646.db2.gz LQMHIHAMIZLPJU-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938065 357943647 /nfs/dbraw/zinc/94/36/47/357943647.db2.gz LQMHIHAMIZLPJU-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CC[C@H](CCO)Nc1nc[nH+]c(N)c1OC ZINC000218551484 357964774 /nfs/dbraw/zinc/96/47/74/357964774.db2.gz GZDZGRUJPLPEFH-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@H](CCO)Nc1[nH+]cnc(N)c1OC ZINC000218551484 357964778 /nfs/dbraw/zinc/96/47/78/357964778.db2.gz GZDZGRUJPLPEFH-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CCS1(=O)=O ZINC000639959754 357993269 /nfs/dbraw/zinc/99/32/69/357993269.db2.gz VNHGAHQXQBGUQC-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO C[C@@H](NC(=O)CC(C)(C)O)c1[nH]cc[nH+]1 ZINC000584480388 357996683 /nfs/dbraw/zinc/99/66/83/357996683.db2.gz ZSEQJXCYKKOXSY-SSDOTTSWSA-N 1 2 211.265 0.748 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)Cc2c[nH]nc2C)C1=O ZINC000639971574 358030063 /nfs/dbraw/zinc/03/00/63/358030063.db2.gz GLGDHKGNUKLZFX-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2C)C1=O ZINC000639971574 358030066 /nfs/dbraw/zinc/03/00/66/358030066.db2.gz GLGDHKGNUKLZFX-LLVKDONJSA-N 1 2 236.319 0.771 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000584538081 358048564 /nfs/dbraw/zinc/04/85/64/358048564.db2.gz FTAVZUZHWQGMRD-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnns2)[C@](C)(CO)C1 ZINC000640004849 358051706 /nfs/dbraw/zinc/05/17/06/358051706.db2.gz ODGWZDDYKXNMIU-WPRPVWTQSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnns2)[C@](C)(CO)C1 ZINC000640004849 358051710 /nfs/dbraw/zinc/05/17/10/358051710.db2.gz ODGWZDDYKXNMIU-WPRPVWTQSA-N 1 2 243.332 0.510 20 0 BCADLO Cn1cc[nH+]c1CSc1ncc(CO)n1C ZINC000085217551 134246811 /nfs/dbraw/zinc/24/68/11/134246811.db2.gz BQCKAGQSGJBUNW-UHFFFAOYSA-N 1 2 238.316 0.938 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]2COCC[C@@H]21 ZINC000584563372 358064489 /nfs/dbraw/zinc/06/44/89/358064489.db2.gz FUURRUFFQYNPOW-RYUDHWBXSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CCCO1 ZINC000170764505 134253807 /nfs/dbraw/zinc/25/38/07/134253807.db2.gz DVHCNBGEGNBGSN-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CCCO1 ZINC000170764505 134253808 /nfs/dbraw/zinc/25/38/08/134253808.db2.gz DVHCNBGEGNBGSN-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000640035245 358124922 /nfs/dbraw/zinc/12/49/22/358124922.db2.gz JBTDVZOICVNVEJ-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000640035245 358124927 /nfs/dbraw/zinc/12/49/27/358124927.db2.gz JBTDVZOICVNVEJ-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO CCn1cc[nH+]c1CN1CCC[C@@H]1C(N)=O ZINC000171647059 134257741 /nfs/dbraw/zinc/25/77/41/134257741.db2.gz QVYVCVVYXXPZIJ-SECBINFHSA-N 1 2 222.292 0.353 20 0 BCADLO CC1CC(n2nnc3c2C[N@H+](CCO)CC3)C1 ZINC000640038251 358137859 /nfs/dbraw/zinc/13/78/59/358137859.db2.gz DGPSXKJAOZYLQQ-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO CC1CC(n2nnc3c2C[N@@H+](CCO)CC3)C1 ZINC000640038251 358137862 /nfs/dbraw/zinc/13/78/62/358137862.db2.gz DGPSXKJAOZYLQQ-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO NC(=O)NC(=O)CCC[N@H+](CC(F)F)C1CC1 ZINC000171582926 134259095 /nfs/dbraw/zinc/25/90/95/134259095.db2.gz LDKRYOVERXTTEY-UHFFFAOYSA-N 1 2 249.261 0.691 20 0 BCADLO NC(=O)NC(=O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000171582926 134259096 /nfs/dbraw/zinc/25/90/96/134259096.db2.gz LDKRYOVERXTTEY-UHFFFAOYSA-N 1 2 249.261 0.691 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450656552 202227514 /nfs/dbraw/zinc/22/75/14/202227514.db2.gz KBEWUFBNJRNXQT-MWLCHTKSSA-N 1 2 231.292 0.333 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659228 358218561 /nfs/dbraw/zinc/21/85/61/358218561.db2.gz DDGALSHZPIZRAL-JTQLQIEISA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659228 358218562 /nfs/dbraw/zinc/21/85/62/358218562.db2.gz DDGALSHZPIZRAL-JTQLQIEISA-N 1 2 243.351 0.343 20 0 BCADLO CC[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829474 358211336 /nfs/dbraw/zinc/21/13/36/358211336.db2.gz ZIAUQSOALRYUJE-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO CC[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610829474 358211340 /nfs/dbraw/zinc/21/13/40/358211340.db2.gz ZIAUQSOALRYUJE-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO CC(C)[C@@H]1C[N@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450692313 202234117 /nfs/dbraw/zinc/23/41/17/202234117.db2.gz ABXLWCJSYSZQFI-QWRGUYRKSA-N 1 2 249.376 0.776 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](C[C@H](C)S(C)(=O)=O)CCO1 ZINC000450692313 202234120 /nfs/dbraw/zinc/23/41/20/202234120.db2.gz ABXLWCJSYSZQFI-QWRGUYRKSA-N 1 2 249.376 0.776 20 0 BCADLO CCc1cc(NCCOCCO)nc[nH+]1 ZINC000052925538 358240738 /nfs/dbraw/zinc/24/07/38/358240738.db2.gz IMLKGZDVWSUDKQ-UHFFFAOYSA-N 1 2 211.265 0.460 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450752684 202257282 /nfs/dbraw/zinc/25/72/82/202257282.db2.gz GOUYKLLRSYBSLD-VXGBXAGGSA-N 1 2 241.331 0.827 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450752684 202257285 /nfs/dbraw/zinc/25/72/85/202257285.db2.gz GOUYKLLRSYBSLD-VXGBXAGGSA-N 1 2 241.331 0.827 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000226213593 358335366 /nfs/dbraw/zinc/33/53/66/358335366.db2.gz MESGIFUTJLHTPK-LLVKDONJSA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000226213593 358335370 /nfs/dbraw/zinc/33/53/70/358335370.db2.gz MESGIFUTJLHTPK-LLVKDONJSA-N 1 2 239.323 0.430 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[C@H](C)CO ZINC000228460571 358375699 /nfs/dbraw/zinc/37/56/99/358375699.db2.gz ZWRLDPGFYQJQCH-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[C@H](C)CO ZINC000228460571 358375700 /nfs/dbraw/zinc/37/57/00/358375700.db2.gz ZWRLDPGFYQJQCH-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ncc(C)o1 ZINC000231690822 358419096 /nfs/dbraw/zinc/41/90/96/358419096.db2.gz WUOYHWRQBSGPAF-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ncc(C)o1 ZINC000231690822 358419098 /nfs/dbraw/zinc/41/90/98/358419098.db2.gz WUOYHWRQBSGPAF-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCOC ZINC000610998528 358424386 /nfs/dbraw/zinc/42/43/86/358424386.db2.gz INOCJXDCQAUWDJ-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCOC ZINC000610998528 358424388 /nfs/dbraw/zinc/42/43/88/358424388.db2.gz INOCJXDCQAUWDJ-VIFPVBQESA-N 1 2 219.281 0.143 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCC1(CO)CC1 ZINC000135622464 491132740 /nfs/dbraw/zinc/13/27/40/491132740.db2.gz CHMXTOXWMWIRIU-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C1CC1 ZINC000547730329 325389640 /nfs/dbraw/zinc/38/96/40/325389640.db2.gz UUPBVKJJHNXBBX-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172293646 535427847 /nfs/dbraw/zinc/42/78/47/535427847.db2.gz KCFYSGHVAFUIPV-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172293646 535427856 /nfs/dbraw/zinc/42/78/56/535427856.db2.gz KCFYSGHVAFUIPV-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000046061323 358569714 /nfs/dbraw/zinc/56/97/14/358569714.db2.gz FZRJTWPISSYHHI-UHFFFAOYSA-N 1 2 243.351 0.297 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N(C)C(C)C ZINC000046061323 358569716 /nfs/dbraw/zinc/56/97/16/358569716.db2.gz FZRJTWPISSYHHI-UHFFFAOYSA-N 1 2 243.351 0.297 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cncc(F)c1 ZINC000124849007 358528779 /nfs/dbraw/zinc/52/87/79/358528779.db2.gz ZSTONQCHZSGPBN-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO CCCc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065310 358613123 /nfs/dbraw/zinc/61/31/23/358613123.db2.gz JNJXIAPHXAMTSH-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065310 358613125 /nfs/dbraw/zinc/61/31/25/358613125.db2.gz JNJXIAPHXAMTSH-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000175132552 134284910 /nfs/dbraw/zinc/28/49/10/134284910.db2.gz PDHIPWNSDMRXNT-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000175132552 134284911 /nfs/dbraw/zinc/28/49/11/134284911.db2.gz PDHIPWNSDMRXNT-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ccc[nH]c1=O ZINC000048411387 358634139 /nfs/dbraw/zinc/63/41/39/358634139.db2.gz IDYNIUMIXHTEHH-UHFFFAOYSA-N 1 2 246.270 0.392 20 0 BCADLO CC[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000047577789 358593899 /nfs/dbraw/zinc/59/38/99/358593899.db2.gz CQPDIMYXPJRZDM-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@H](C)O ZINC000131315176 358671783 /nfs/dbraw/zinc/67/17/83/358671783.db2.gz ZXNVHNAWPOQPCH-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@H](C)O ZINC000131315176 358671785 /nfs/dbraw/zinc/67/17/85/358671785.db2.gz ZXNVHNAWPOQPCH-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1nccn1C ZINC000132119907 358708690 /nfs/dbraw/zinc/70/86/90/358708690.db2.gz VOVRKVQMMNRMIN-BQBZGAKWSA-N 1 2 237.225 0.994 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176432394 134291723 /nfs/dbraw/zinc/29/17/23/134291723.db2.gz AZLDZEUPURVAEU-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176432394 134291724 /nfs/dbraw/zinc/29/17/24/134291724.db2.gz AZLDZEUPURVAEU-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO CCCCNC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000050418381 358730196 /nfs/dbraw/zinc/73/01/96/358730196.db2.gz HYZFSVGZOGZPIT-VIFPVBQESA-N 1 2 239.323 0.382 20 0 BCADLO C[C@H](C[NH2+]Cc1nccs1)S(C)(=O)=O ZINC000308647267 491137579 /nfs/dbraw/zinc/13/75/79/491137579.db2.gz IGMLOITUQOAGBT-SSDOTTSWSA-N 1 2 234.346 0.666 20 0 BCADLO CC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000053457260 358829773 /nfs/dbraw/zinc/82/97/73/358829773.db2.gz XTGPPFWVYWEXHY-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000053457260 358829778 /nfs/dbraw/zinc/82/97/78/358829778.db2.gz XTGPPFWVYWEXHY-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1nc(N2CCC(OCCO)CC2)cc[nH+]1 ZINC000135377882 358834357 /nfs/dbraw/zinc/83/43/57/358834357.db2.gz FNCYZAVOLSTVGC-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1nc(C)ccc1O ZINC000132592937 491137129 /nfs/dbraw/zinc/13/71/29/491137129.db2.gz HXPGKHTXYWFEIS-UHFFFAOYSA-N 1 2 223.276 0.273 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1nc(C)ccc1O ZINC000132592937 491137130 /nfs/dbraw/zinc/13/71/30/491137130.db2.gz HXPGKHTXYWFEIS-UHFFFAOYSA-N 1 2 223.276 0.273 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000054172125 358853537 /nfs/dbraw/zinc/85/35/37/358853537.db2.gz ZVMAGWVGFVRMJN-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000054172125 358853539 /nfs/dbraw/zinc/85/35/39/358853539.db2.gz ZVMAGWVGFVRMJN-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccccc1 ZINC000054257174 358857272 /nfs/dbraw/zinc/85/72/72/358857272.db2.gz AKKWLEZLLFABLR-UHFFFAOYSA-N 1 2 247.298 0.447 20 0 BCADLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccccc1 ZINC000054257174 358857276 /nfs/dbraw/zinc/85/72/76/358857276.db2.gz AKKWLEZLLFABLR-UHFFFAOYSA-N 1 2 247.298 0.447 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000139683980 358913620 /nfs/dbraw/zinc/91/36/20/358913620.db2.gz DNDJSXUTGALIEY-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000139683980 358913623 /nfs/dbraw/zinc/91/36/23/358913623.db2.gz DNDJSXUTGALIEY-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cs1 ZINC000245720424 358963612 /nfs/dbraw/zinc/96/36/12/358963612.db2.gz RATVZNLIPWZGKJ-VHSXEESVSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)C[C@H]2CO)cs1 ZINC000245720424 358963615 /nfs/dbraw/zinc/96/36/15/358963615.db2.gz RATVZNLIPWZGKJ-VHSXEESVSA-N 1 2 242.344 0.633 20 0 BCADLO COC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000060895279 358930245 /nfs/dbraw/zinc/93/02/45/358930245.db2.gz FGYYKCQGRJZQSR-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccn1C ZINC000578337657 366528276 /nfs/dbraw/zinc/52/82/76/366528276.db2.gz NBQDJVDPXTXPGN-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nccn1C ZINC000578337657 366528280 /nfs/dbraw/zinc/52/82/80/366528280.db2.gz NBQDJVDPXTXPGN-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]1C(F)F ZINC000633234610 358958694 /nfs/dbraw/zinc/95/86/94/358958694.db2.gz SSWIHIIZTULSBF-SSDOTTSWSA-N 1 2 215.203 0.749 20 0 BCADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)n1cccn1 ZINC000070980487 359068539 /nfs/dbraw/zinc/06/85/39/359068539.db2.gz VUHYXSFAMHLUHL-VIFPVBQESA-N 1 2 233.275 0.826 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cccc(N)n1 ZINC000071275220 359075805 /nfs/dbraw/zinc/07/58/05/359075805.db2.gz CTZOWVXLFUKBCN-UHFFFAOYSA-N 1 2 231.259 0.327 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000071891638 359081970 /nfs/dbraw/zinc/08/19/70/359081970.db2.gz BNADEHCZFUUIJI-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000071891638 359081973 /nfs/dbraw/zinc/08/19/73/359081973.db2.gz BNADEHCZFUUIJI-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCOCC[N@H+](C)[C@@H](COCC)C(=O)OC ZINC000611208493 359110126 /nfs/dbraw/zinc/11/01/26/359110126.db2.gz NGDDGPPSKHMRRD-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](COCC)C(=O)OC ZINC000611208493 359110131 /nfs/dbraw/zinc/11/01/31/359110131.db2.gz NGDDGPPSKHMRRD-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCCF ZINC000611208699 359110648 /nfs/dbraw/zinc/11/06/48/359110648.db2.gz RVQDPYOJERXQPP-VIFPVBQESA-N 1 2 221.272 0.856 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCF ZINC000611208699 359110650 /nfs/dbraw/zinc/11/06/50/359110650.db2.gz RVQDPYOJERXQPP-VIFPVBQESA-N 1 2 221.272 0.856 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCO1 ZINC000611208800 359112291 /nfs/dbraw/zinc/11/22/91/359112291.db2.gz SBTFXCJSQOQQNW-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000611208800 359112293 /nfs/dbraw/zinc/11/22/93/359112293.db2.gz SBTFXCJSQOQQNW-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC1(C)COC1 ZINC000611208858 359112329 /nfs/dbraw/zinc/11/23/29/359112329.db2.gz UARRUAJRKPWWNH-JTQLQIEISA-N 1 2 245.319 0.533 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC1(C)COC1 ZINC000611208858 359112330 /nfs/dbraw/zinc/11/23/30/359112330.db2.gz UARRUAJRKPWWNH-JTQLQIEISA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@H]1CCCO1 ZINC000246996968 359181713 /nfs/dbraw/zinc/18/17/13/359181713.db2.gz LQLZZLPOAJMKIX-VWYCJHECSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CCCO1 ZINC000246996968 359181716 /nfs/dbraw/zinc/18/17/16/359181716.db2.gz LQLZZLPOAJMKIX-VWYCJHECSA-N 1 2 243.303 0.428 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)CO ZINC000611236276 359189760 /nfs/dbraw/zinc/18/97/60/359189760.db2.gz DSHMPNLZWBLEGI-UWVGGRQHSA-N 1 2 233.308 0.125 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)CO ZINC000611236276 359189764 /nfs/dbraw/zinc/18/97/64/359189764.db2.gz DSHMPNLZWBLEGI-UWVGGRQHSA-N 1 2 233.308 0.125 20 0 BCADLO Cn1c[nH+]c2cc(NS(C)(=O)=O)ccc21 ZINC000074837673 359131464 /nfs/dbraw/zinc/13/14/64/359131464.db2.gz KOJSSUNGRSTNOF-UHFFFAOYSA-N 1 2 225.273 0.945 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246759350 359162234 /nfs/dbraw/zinc/16/22/34/359162234.db2.gz KCFYSGHVAFUIPV-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246759350 359162240 /nfs/dbraw/zinc/16/22/40/359162240.db2.gz KCFYSGHVAFUIPV-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000246872737 359171459 /nfs/dbraw/zinc/17/14/59/359171459.db2.gz FQERIRDGJRORJX-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000246872737 359171463 /nfs/dbraw/zinc/17/14/63/359171463.db2.gz FQERIRDGJRORJX-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CCCC[C@H](CC)C[NH+](CC(N)=O)CC(N)=O ZINC000075827825 359225716 /nfs/dbraw/zinc/22/57/16/359225716.db2.gz MVNVYGHTSLLXIZ-JTQLQIEISA-N 1 2 243.351 0.475 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000247482943 359224433 /nfs/dbraw/zinc/22/44/33/359224433.db2.gz FVIKJDCFZDVFPR-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000247482943 359224435 /nfs/dbraw/zinc/22/44/35/359224435.db2.gz FVIKJDCFZDVFPR-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC1(C)C ZINC000623447065 359339080 /nfs/dbraw/zinc/33/90/80/359339080.db2.gz BMNNXAGLJRCEES-ZJUUUORDSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC1(C)C ZINC000623447065 359339084 /nfs/dbraw/zinc/33/90/84/359339084.db2.gz BMNNXAGLJRCEES-ZJUUUORDSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613777421 363649981 /nfs/dbraw/zinc/64/99/81/363649981.db2.gz TUGZYFIRHFEHCE-IVZWLZJFSA-N 1 2 237.303 0.411 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613837423 363660608 /nfs/dbraw/zinc/66/06/08/363660608.db2.gz GYRBFSXLKSEUSL-OPRDCNLKSA-N 1 2 237.303 0.675 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613837936 363662040 /nfs/dbraw/zinc/66/20/40/363662040.db2.gz VHFBYHRFQFRVFL-BDAKNGLRSA-N 1 2 237.303 0.666 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613837936 363662045 /nfs/dbraw/zinc/66/20/45/363662045.db2.gz VHFBYHRFQFRVFL-BDAKNGLRSA-N 1 2 237.303 0.666 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613837939 363661684 /nfs/dbraw/zinc/66/16/84/363661684.db2.gz VHFBYHRFQFRVFL-RKDXNWHRSA-N 1 2 237.303 0.666 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613837939 363661688 /nfs/dbraw/zinc/66/16/88/363661688.db2.gz VHFBYHRFQFRVFL-RKDXNWHRSA-N 1 2 237.303 0.666 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)OC ZINC000611792311 359451875 /nfs/dbraw/zinc/45/18/75/359451875.db2.gz KMAXLAZCBGSTPE-UWVGGRQHSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)OC ZINC000611792311 359451878 /nfs/dbraw/zinc/45/18/78/359451878.db2.gz KMAXLAZCBGSTPE-UWVGGRQHSA-N 1 2 233.308 0.531 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc2n1CCC2 ZINC000611795965 359452634 /nfs/dbraw/zinc/45/26/34/359452634.db2.gz WGWQXMRJEFZWOZ-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO O=C1C[N@H+](C[C@H](O)C2CCCCC2)CCN1 ZINC000191226139 359541584 /nfs/dbraw/zinc/54/15/84/359541584.db2.gz JNYPTJOKXVQFFY-NSHDSACASA-N 1 2 226.320 0.359 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)C2CCCCC2)CCN1 ZINC000191226139 359541586 /nfs/dbraw/zinc/54/15/86/359541586.db2.gz JNYPTJOKXVQFFY-NSHDSACASA-N 1 2 226.320 0.359 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000580436386 359555137 /nfs/dbraw/zinc/55/51/37/359555137.db2.gz VBCFILHMYSDWAJ-RKDXNWHRSA-N 1 2 238.291 0.085 20 0 BCADLO CN(C)c1[nH+]cccc1N(C)S(C)(=O)=O ZINC000080279902 325478578 /nfs/dbraw/zinc/47/85/78/325478578.db2.gz OCDUWHDCYIIYQI-UHFFFAOYSA-N 1 2 229.305 0.543 20 0 BCADLO COCc1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000580461971 359568922 /nfs/dbraw/zinc/56/89/22/359568922.db2.gz LVRHROWSWHKSOX-JGVFFNPUSA-N 1 2 241.291 0.465 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CC[NH+](C)CC1 ZINC000082303351 491142717 /nfs/dbraw/zinc/14/27/17/491142717.db2.gz ICZIKVLGLOKZCP-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO COc1nc(C(=O)N2CCn3c[nH+]cc3C2)co1 ZINC000627393604 359679465 /nfs/dbraw/zinc/67/94/65/359679465.db2.gz FIYFJKJOPWNVTN-UHFFFAOYSA-N 1 2 248.242 0.536 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000078723139 359704838 /nfs/dbraw/zinc/70/48/38/359704838.db2.gz SKIMSPUTFPHHDR-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450897025 202303994 /nfs/dbraw/zinc/30/39/94/202303994.db2.gz PRLPDESCBYXKMN-IUCAKERBSA-N 1 2 241.291 0.726 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450897025 202303997 /nfs/dbraw/zinc/30/39/97/202303997.db2.gz PRLPDESCBYXKMN-IUCAKERBSA-N 1 2 241.291 0.726 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000578379823 366546419 /nfs/dbraw/zinc/54/64/19/366546419.db2.gz IIRWJUYCHAIGLU-SNVBAGLBSA-N 1 2 238.335 0.983 20 0 BCADLO CCN(C)C(=O)[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000578379823 366546423 /nfs/dbraw/zinc/54/64/23/366546423.db2.gz IIRWJUYCHAIGLU-SNVBAGLBSA-N 1 2 238.335 0.983 20 0 BCADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C(=O)NC ZINC000450944395 202315757 /nfs/dbraw/zinc/31/57/57/202315757.db2.gz SOIKMRGUEUCBKN-MRVPVSSYSA-N 1 2 208.265 0.722 20 0 BCADLO Cc1ncoc1C(=O)NCc1[nH]c[nH+]c1C ZINC000380242360 366560676 /nfs/dbraw/zinc/56/06/76/366560676.db2.gz DVKVYNUYCWNRAN-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)O ZINC000578452927 366573057 /nfs/dbraw/zinc/57/30/57/366573057.db2.gz YOBPHGUESXXLIB-SNVBAGLBSA-N 1 2 242.363 0.994 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCNC1=O)C(C)C ZINC000578495711 366578724 /nfs/dbraw/zinc/57/87/24/366578724.db2.gz VOWMFLYPNYORFU-UWVGGRQHSA-N 1 2 242.319 0.300 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451144040 202364977 /nfs/dbraw/zinc/36/49/77/202364977.db2.gz ZWXFJZLQWMUZEM-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451144040 202364980 /nfs/dbraw/zinc/36/49/80/202364980.db2.gz ZWXFJZLQWMUZEM-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO C[N@H+](CC(=O)NCC1CCC1)C(C)(C)C(N)=O ZINC000451138779 202365296 /nfs/dbraw/zinc/36/52/96/202365296.db2.gz LXXANZXPABZPFO-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO C[N@@H+](CC(=O)NCC1CCC1)C(C)(C)C(N)=O ZINC000451138779 202365299 /nfs/dbraw/zinc/36/52/99/202365299.db2.gz LXXANZXPABZPFO-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451118535 202356547 /nfs/dbraw/zinc/35/65/47/202356547.db2.gz AJYHBHFQOKBFCO-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451118535 202356550 /nfs/dbraw/zinc/35/65/50/202356550.db2.gz AJYHBHFQOKBFCO-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO O[C@@H](C[N@H+](C1CC1)C1COC1)C(F)(F)F ZINC000451124038 202360649 /nfs/dbraw/zinc/36/06/49/202360649.db2.gz GEOBVXDAUUIJAV-QMMMGPOBSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@@H](C[N@@H+](C1CC1)C1COC1)C(F)(F)F ZINC000451124038 202360652 /nfs/dbraw/zinc/36/06/52/202360652.db2.gz GEOBVXDAUUIJAV-QMMMGPOBSA-N 1 2 225.210 0.773 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628514114 359882482 /nfs/dbraw/zinc/88/24/82/359882482.db2.gz LOODGDMDQKYUIA-AXFHLTTASA-N 1 2 224.304 0.185 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628514114 359882487 /nfs/dbraw/zinc/88/24/87/359882487.db2.gz LOODGDMDQKYUIA-AXFHLTTASA-N 1 2 224.304 0.185 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451130860 202363622 /nfs/dbraw/zinc/36/36/22/202363622.db2.gz OUCWYQOQHHEFJP-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451130860 202363624 /nfs/dbraw/zinc/36/36/24/202363624.db2.gz OUCWYQOQHHEFJP-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)NC1CCCC1 ZINC000451130248 202363795 /nfs/dbraw/zinc/36/37/95/202363795.db2.gz LNYLEJFDZZCDLI-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)NC1CCCC1 ZINC000451130248 202363799 /nfs/dbraw/zinc/36/37/99/202363799.db2.gz LNYLEJFDZZCDLI-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451191482 202371112 /nfs/dbraw/zinc/37/11/12/202371112.db2.gz RNFUQXDTYKCXIV-VIFPVBQESA-N 1 2 202.273 0.947 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451191482 202371116 /nfs/dbraw/zinc/37/11/16/202371116.db2.gz RNFUQXDTYKCXIV-VIFPVBQESA-N 1 2 202.273 0.947 20 0 BCADLO O=C(C[C@@H]1CCCCO1)NCc1c[nH+]c[nH]1 ZINC000087263122 359904424 /nfs/dbraw/zinc/90/44/24/359904424.db2.gz BHLHXPRHDLKDRD-JTQLQIEISA-N 1 2 223.276 0.985 20 0 BCADLO O=C(C[C@@H]1CCCCO1)NCc1c[nH]c[nH+]1 ZINC000087263122 359904428 /nfs/dbraw/zinc/90/44/28/359904428.db2.gz BHLHXPRHDLKDRD-JTQLQIEISA-N 1 2 223.276 0.985 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191934 202375634 /nfs/dbraw/zinc/37/56/34/202375634.db2.gz SHBVUOSIDAUQBD-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191934 202375638 /nfs/dbraw/zinc/37/56/38/202375638.db2.gz SHBVUOSIDAUQBD-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO CCCCOCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195799 202376970 /nfs/dbraw/zinc/37/69/70/202376970.db2.gz XZYOBHOETFUJFO-NSHDSACASA-N 1 2 246.326 0.963 20 0 BCADLO CCCCOCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195799 202376972 /nfs/dbraw/zinc/37/69/72/202376972.db2.gz XZYOBHOETFUJFO-NSHDSACASA-N 1 2 246.326 0.963 20 0 BCADLO F[C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451197831 202380060 /nfs/dbraw/zinc/38/00/60/202380060.db2.gz OKPGRNGMECPQLP-UTUOFQBUSA-N 1 2 228.311 0.893 20 0 BCADLO F[C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451197831 202380061 /nfs/dbraw/zinc/38/00/61/202380061.db2.gz OKPGRNGMECPQLP-UTUOFQBUSA-N 1 2 228.311 0.893 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@H](O)C2)c(C)s1 ZINC000451232696 202385050 /nfs/dbraw/zinc/38/50/50/202385050.db2.gz GIKYHQXTUVLRBQ-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@H](O)C2)c(C)s1 ZINC000451232696 202385054 /nfs/dbraw/zinc/38/50/54/202385054.db2.gz GIKYHQXTUVLRBQ-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC)C1COC1 ZINC000451283061 202394081 /nfs/dbraw/zinc/39/40/81/202394081.db2.gz GCBCMRFVAZKJTF-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC)C1COC1 ZINC000451283061 202394084 /nfs/dbraw/zinc/39/40/84/202394084.db2.gz GCBCMRFVAZKJTF-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C1COC1 ZINC000451285515 202395136 /nfs/dbraw/zinc/39/51/36/202395136.db2.gz NGTGQJCNVSNRGC-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C1COC1 ZINC000451285515 202395140 /nfs/dbraw/zinc/39/51/40/202395140.db2.gz NGTGQJCNVSNRGC-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ncccc1O ZINC000578578908 366601750 /nfs/dbraw/zinc/60/17/50/366601750.db2.gz BIZYDWPECZYVNN-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ncccc1O ZINC000578578908 366601755 /nfs/dbraw/zinc/60/17/55/366601755.db2.gz BIZYDWPECZYVNN-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO Cc1cccc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000578587344 366601828 /nfs/dbraw/zinc/60/18/28/366601828.db2.gz UQZCQEQQRGSYFS-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO c1cnc2c(c1)CN(CC[NH+]1CCOCC1)C2 ZINC000578621054 366610069 /nfs/dbraw/zinc/61/00/69/366610069.db2.gz HDDOINSXTDAAEG-UHFFFAOYSA-N 1 2 233.315 0.729 20 0 BCADLO O=C(Nc1cccc2c[nH]nc21)[C@H]1COCC[NH2+]1 ZINC000088369903 359948770 /nfs/dbraw/zinc/94/87/70/359948770.db2.gz QPIWMSFEOXODMV-SNVBAGLBSA-N 1 2 246.270 0.490 20 0 BCADLO COC(=O)[C@H](CO)[NH2+]CC1(O)CCC(C)CC1 ZINC000578770030 366645314 /nfs/dbraw/zinc/64/53/14/366645314.db2.gz IIGIJCBQUASPFI-YZRBJQDESA-N 1 2 245.319 0.051 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1ncnn1CC ZINC000088619435 359970390 /nfs/dbraw/zinc/97/03/90/359970390.db2.gz CUHCLNBIVMQGOE-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1ncnn1CC ZINC000088619435 359970393 /nfs/dbraw/zinc/97/03/93/359970393.db2.gz CUHCLNBIVMQGOE-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CN(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000088753508 359975351 /nfs/dbraw/zinc/97/53/51/359975351.db2.gz WVZSSACEXFJSEB-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000088753508 359975352 /nfs/dbraw/zinc/97/53/52/359975352.db2.gz WVZSSACEXFJSEB-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CC(C)(C)C(=O)NCC(=O)NCc1c[nH+]c[nH]1 ZINC000088759425 359977603 /nfs/dbraw/zinc/97/76/03/359977603.db2.gz ZWJDTORAPAKGDX-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO CC(C)(C)C(=O)NCC(=O)NCc1c[nH]c[nH+]1 ZINC000088759425 359977604 /nfs/dbraw/zinc/97/76/04/359977604.db2.gz ZWJDTORAPAKGDX-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO O=C(Cc1ccc(O)cc1)NCc1c[nH+]c[nH]1 ZINC000088759322 359977644 /nfs/dbraw/zinc/97/76/44/359977644.db2.gz JTININGGKPZRTP-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO O=C(Cc1ccc(O)cc1)NCc1c[nH]c[nH+]1 ZINC000088759322 359977646 /nfs/dbraw/zinc/97/76/46/359977646.db2.gz JTININGGKPZRTP-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000088795952 359979477 /nfs/dbraw/zinc/97/94/77/359979477.db2.gz PAOMIMNDCKKAPO-LLVKDONJSA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000088795952 359979480 /nfs/dbraw/zinc/97/94/80/359979480.db2.gz PAOMIMNDCKKAPO-LLVKDONJSA-N 1 2 237.303 0.804 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612695124 360011155 /nfs/dbraw/zinc/01/11/55/360011155.db2.gz IPGOZJUZXBHYAF-XBWDGYHZSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612695124 360011157 /nfs/dbraw/zinc/01/11/57/360011157.db2.gz IPGOZJUZXBHYAF-XBWDGYHZSA-N 1 2 247.298 0.276 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](O)C1CC1 ZINC000612697684 360013973 /nfs/dbraw/zinc/01/39/73/360013973.db2.gz XYFDOJIWASSVAW-GZMMTYOYSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](O)C1CC1 ZINC000612697684 360013980 /nfs/dbraw/zinc/01/39/80/360013980.db2.gz XYFDOJIWASSVAW-GZMMTYOYSA-N 1 2 235.287 0.154 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000612746911 360040081 /nfs/dbraw/zinc/04/00/81/360040081.db2.gz KBJQOMWYXDCYTJ-LLVKDONJSA-N 1 2 238.287 0.720 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091082904 360101176 /nfs/dbraw/zinc/10/11/76/360101176.db2.gz RYTAQSDVUOSIQB-MRVPVSSYSA-N 1 2 235.278 0.133 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091082904 360101180 /nfs/dbraw/zinc/10/11/80/360101180.db2.gz RYTAQSDVUOSIQB-MRVPVSSYSA-N 1 2 235.278 0.133 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)NCC1CC1 ZINC000090007261 360052239 /nfs/dbraw/zinc/05/22/39/360052239.db2.gz VQZRDQHAWZRLFQ-LBPRGKRZSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)NCC1CC1 ZINC000090007261 360052243 /nfs/dbraw/zinc/05/22/43/360052243.db2.gz VQZRDQHAWZRLFQ-LBPRGKRZSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC=CCC1 ZINC000090698843 360084355 /nfs/dbraw/zinc/08/43/55/360084355.db2.gz KABOZMTUIAWHCS-CHWSQXEVSA-N 1 2 249.358 0.459 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092008000 360144344 /nfs/dbraw/zinc/14/43/44/360144344.db2.gz HPFMKDMLRPYKGS-SKDRFNHKSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092008000 360144347 /nfs/dbraw/zinc/14/43/47/360144347.db2.gz HPFMKDMLRPYKGS-SKDRFNHKSA-N 1 2 249.314 0.465 20 0 BCADLO COc1ncnc2c1CN(Cc1c[nH+]c[nH]1)CC2 ZINC000092807876 360201492 /nfs/dbraw/zinc/20/14/92/360201492.db2.gz QXPKVFLXSKEPHO-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO COc1ncnc2c1CN(Cc1c[nH]c[nH+]1)CC2 ZINC000092807876 360201497 /nfs/dbraw/zinc/20/14/97/360201497.db2.gz QXPKVFLXSKEPHO-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO O=C(NC1(CO)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612914625 360188897 /nfs/dbraw/zinc/18/88/97/360188897.db2.gz APHKXXZAVVCHRQ-VIFPVBQESA-N 1 2 235.287 0.087 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000613008045 360270141 /nfs/dbraw/zinc/27/01/41/360270141.db2.gz IPVGPESNZWGWTR-NOZJJQNGSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000613008045 360270147 /nfs/dbraw/zinc/27/01/47/360270147.db2.gz IPVGPESNZWGWTR-NOZJJQNGSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096643038 360351457 /nfs/dbraw/zinc/35/14/57/360351457.db2.gz DKUFOESZDBHUEC-MRVPVSSYSA-N 1 2 205.261 0.724 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309443569 491148368 /nfs/dbraw/zinc/14/83/68/491148368.db2.gz KTMCDQGSXVPNSS-VXNVDRBHSA-N 1 2 222.292 0.599 20 0 BCADLO COC(=O)C[N@H+](CCN1CCCC1=O)C(C)C ZINC000098142926 360389203 /nfs/dbraw/zinc/38/92/03/360389203.db2.gz SKNGLSXSEAEVIG-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)C[N@@H+](CCN1CCCC1=O)C(C)C ZINC000098142926 360389209 /nfs/dbraw/zinc/38/92/09/360389209.db2.gz SKNGLSXSEAEVIG-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000514863632 360416142 /nfs/dbraw/zinc/41/61/42/360416142.db2.gz UWYZKTXYYMVJFQ-DTWKUNHWSA-N 1 2 209.249 0.177 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCF ZINC000614177171 363746184 /nfs/dbraw/zinc/74/61/84/363746184.db2.gz CABWMCMPEAQHEN-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000034227159 360456982 /nfs/dbraw/zinc/45/69/82/360456982.db2.gz JYJKFDHLEYMLDX-VXGBXAGGSA-N 1 2 235.283 0.795 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000034227159 360456983 /nfs/dbraw/zinc/45/69/83/360456983.db2.gz JYJKFDHLEYMLDX-VXGBXAGGSA-N 1 2 235.283 0.795 20 0 BCADLO NC(=O)c1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359136181 181302287 /nfs/dbraw/zinc/30/22/87/181302287.db2.gz GDALQMWYOAGRKO-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO NC(=O)c1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359136181 181302290 /nfs/dbraw/zinc/30/22/90/181302290.db2.gz GDALQMWYOAGRKO-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO Cc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)on1 ZINC000631162853 360638357 /nfs/dbraw/zinc/63/83/57/360638357.db2.gz YDUQOLAZKYRSGZ-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N(C2CC2)C2CC2)C1 ZINC000628816761 360669782 /nfs/dbraw/zinc/66/97/82/360669782.db2.gz IXEBJOBPFBNZEU-LLVKDONJSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N(C2CC2)C2CC2)C1 ZINC000628816761 360669785 /nfs/dbraw/zinc/66/97/85/360669785.db2.gz IXEBJOBPFBNZEU-LLVKDONJSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000628913885 360745972 /nfs/dbraw/zinc/74/59/72/360745972.db2.gz WKVUGWYWRPCFHA-ZJUUUORDSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000628913885 360745976 /nfs/dbraw/zinc/74/59/76/360745976.db2.gz WKVUGWYWRPCFHA-ZJUUUORDSA-N 1 2 224.304 0.233 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914013 360746389 /nfs/dbraw/zinc/74/63/89/360746389.db2.gz FFHGKRUFCOSFNA-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914013 360746392 /nfs/dbraw/zinc/74/63/92/360746392.db2.gz FFHGKRUFCOSFNA-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cocc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628911829 360747801 /nfs/dbraw/zinc/74/78/01/360747801.db2.gz NBQISSCGGZUZRU-JTQLQIEISA-N 1 2 238.287 0.648 20 0 BCADLO Cc1cocc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628911829 360747809 /nfs/dbraw/zinc/74/78/09/360747809.db2.gz NBQISSCGGZUZRU-JTQLQIEISA-N 1 2 238.287 0.648 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000628917060 360748632 /nfs/dbraw/zinc/74/86/32/360748632.db2.gz HVHQPUGKRGZNDQ-WYUUTHIRSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000628917060 360748637 /nfs/dbraw/zinc/74/86/37/360748637.db2.gz HVHQPUGKRGZNDQ-WYUUTHIRSA-N 1 2 238.331 0.479 20 0 BCADLO C=C/C(C)=C\CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915330 360749567 /nfs/dbraw/zinc/74/95/67/360749567.db2.gz QZHKXXSAKQDZFT-QJGQKNTRSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C(C)=C\CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915330 360749571 /nfs/dbraw/zinc/74/95/71/360749571.db2.gz QZHKXXSAKQDZFT-QJGQKNTRSA-N 1 2 238.331 0.956 20 0 BCADLO CCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628915957 360749669 /nfs/dbraw/zinc/74/96/69/360749669.db2.gz AQOPLENCDKZFEP-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628915957 360749674 /nfs/dbraw/zinc/74/96/74/360749674.db2.gz AQOPLENCDKZFEP-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628915960 360750261 /nfs/dbraw/zinc/75/02/61/360750261.db2.gz AQOPLENCDKZFEP-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628915960 360750265 /nfs/dbraw/zinc/75/02/65/360750265.db2.gz AQOPLENCDKZFEP-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000628915496 360750369 /nfs/dbraw/zinc/75/03/69/360750369.db2.gz WYVHECGEZUWKHR-JGVFFNPUSA-N 1 2 234.246 0.088 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000628915496 360750372 /nfs/dbraw/zinc/75/03/72/360750372.db2.gz WYVHECGEZUWKHR-JGVFFNPUSA-N 1 2 234.246 0.088 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916280 360751724 /nfs/dbraw/zinc/75/17/24/360751724.db2.gz DBIABFVRXAXKED-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916280 360751727 /nfs/dbraw/zinc/75/17/27/360751727.db2.gz DBIABFVRXAXKED-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO CCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921190 360754143 /nfs/dbraw/zinc/75/41/43/360754143.db2.gz GSBLWDAQKCOZPM-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921190 360754146 /nfs/dbraw/zinc/75/41/46/360754146.db2.gz GSBLWDAQKCOZPM-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1cccc(C(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000628921126 360754152 /nfs/dbraw/zinc/75/41/52/360754152.db2.gz GGZDKBZIQIFMKE-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000628921126 360754154 /nfs/dbraw/zinc/75/41/54/360754154.db2.gz GGZDKBZIQIFMKE-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(F)F ZINC000628923159 360755853 /nfs/dbraw/zinc/75/58/53/360755853.db2.gz PHVLZLBBOIIKMD-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(F)F ZINC000628923159 360755855 /nfs/dbraw/zinc/75/58/55/360755855.db2.gz PHVLZLBBOIIKMD-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@@](C)(OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923646 360756912 /nfs/dbraw/zinc/75/69/12/360756912.db2.gz RNQLPQOIFPXMMU-CMPLNLGQSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@](C)(OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923646 360756915 /nfs/dbraw/zinc/75/69/15/360756915.db2.gz RNQLPQOIFPXMMU-CMPLNLGQSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628926331 360758441 /nfs/dbraw/zinc/75/84/41/360758441.db2.gz RQLPZHDTPUWMKZ-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CC(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628926331 360758443 /nfs/dbraw/zinc/75/84/43/360758443.db2.gz RQLPZHDTPUWMKZ-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC000628926005 360758478 /nfs/dbraw/zinc/75/84/78/360758478.db2.gz MZGSMGPAWLBOFZ-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC000628926005 360758482 /nfs/dbraw/zinc/75/84/82/360758482.db2.gz MZGSMGPAWLBOFZ-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000634034166 360780639 /nfs/dbraw/zinc/78/06/39/360780639.db2.gz XQTFMQABNLZWNW-BCMRRPTOSA-N 1 2 237.303 0.943 20 0 BCADLO C/C=C/CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000629033252 360816637 /nfs/dbraw/zinc/81/66/37/360816637.db2.gz LXRQYNGGGWYJST-SNAWJCMRSA-N 1 2 226.320 0.790 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629122782 360888627 /nfs/dbraw/zinc/88/86/27/360888627.db2.gz FMSLAKHHKKZGQE-QWRGUYRKSA-N 1 2 235.287 0.567 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nc2[nH][nH]cc-2c(=N)n1 ZINC000428133559 200813967 /nfs/dbraw/zinc/81/39/67/200813967.db2.gz YCCMRHZVKCPKCY-UHFFFAOYSA-N 1 2 244.262 0.077 20 0 BCADLO Cc1ccc(Cn2nc(CO)ccc2=O)c(C)[nH+]1 ZINC000629383838 361031713 /nfs/dbraw/zinc/03/17/13/361031713.db2.gz IQFNLHYLPSPVFW-UHFFFAOYSA-N 1 2 245.282 0.796 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631208450 361060779 /nfs/dbraw/zinc/06/07/79/361060779.db2.gz YVXVUBMRPKIMCF-UTLUCORTSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000169798386 361132281 /nfs/dbraw/zinc/13/22/81/361132281.db2.gz RUWSYOSOKWONMU-VIFPVBQESA-N 1 2 205.261 0.724 20 0 BCADLO CC[C@H](NC(=O)Cc1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000578992229 366688200 /nfs/dbraw/zinc/68/82/00/366688200.db2.gz QGWATPLMOSORKT-JTQLQIEISA-N 1 2 247.302 0.953 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC000640475020 361246238 /nfs/dbraw/zinc/24/62/38/361246238.db2.gz BWUZBAZJWNSEGE-KWQFWETISA-N 1 2 221.260 0.514 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC000640475020 361246241 /nfs/dbraw/zinc/24/62/41/361246241.db2.gz BWUZBAZJWNSEGE-KWQFWETISA-N 1 2 221.260 0.514 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(C)n1C ZINC000640475091 361246652 /nfs/dbraw/zinc/24/66/52/361246652.db2.gz CVMJDUMJTQCAPI-BXUZGUMPSA-N 1 2 248.326 0.891 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(C)n1C ZINC000640475091 361246657 /nfs/dbraw/zinc/24/66/57/361246657.db2.gz CVMJDUMJTQCAPI-BXUZGUMPSA-N 1 2 248.326 0.891 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOC(C)C ZINC000158766299 361210761 /nfs/dbraw/zinc/21/07/61/361210761.db2.gz IQUQHCGCRQAGMW-UWVGGRQHSA-N 1 2 231.292 0.020 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOC(C)C ZINC000158766299 361210765 /nfs/dbraw/zinc/21/07/65/361210765.db2.gz IQUQHCGCRQAGMW-UWVGGRQHSA-N 1 2 231.292 0.020 20 0 BCADLO CC[C@@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000158930795 361215000 /nfs/dbraw/zinc/21/50/00/361215000.db2.gz GBQXDYNBXZPEMH-SECBINFHSA-N 1 2 203.282 0.953 20 0 BCADLO COCCC[N@H+](C)Cc1nnnn1C1CC1 ZINC000066378661 361218123 /nfs/dbraw/zinc/21/81/23/361218123.db2.gz OYXPFOSTFPAOIU-UHFFFAOYSA-N 1 2 225.296 0.476 20 0 BCADLO COCCC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000066378661 361218125 /nfs/dbraw/zinc/21/81/25/361218125.db2.gz OYXPFOSTFPAOIU-UHFFFAOYSA-N 1 2 225.296 0.476 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640473443 361242936 /nfs/dbraw/zinc/24/29/36/361242936.db2.gz IEDBHAMCMOKCMT-XVKPBYJWSA-N 1 2 209.249 0.199 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640473443 361242942 /nfs/dbraw/zinc/24/29/42/361242942.db2.gz IEDBHAMCMOKCMT-XVKPBYJWSA-N 1 2 209.249 0.199 20 0 BCADLO Cn1cc(Cl)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640484735 361276811 /nfs/dbraw/zinc/27/68/11/361276811.db2.gz FATUFWONVVUTTB-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1cc(Cl)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640484735 361276817 /nfs/dbraw/zinc/27/68/17/361276817.db2.gz FATUFWONVVUTTB-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640488137 361280859 /nfs/dbraw/zinc/28/08/59/361280859.db2.gz SJWDOJDWTJLDSF-SKWCMTHISA-N 1 2 209.249 0.506 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640488137 361280863 /nfs/dbraw/zinc/28/08/63/361280863.db2.gz SJWDOJDWTJLDSF-SKWCMTHISA-N 1 2 209.249 0.506 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640489330 361282572 /nfs/dbraw/zinc/28/25/72/361282572.db2.gz WVBITERLSIJOLC-LAEOZQHASA-N 1 2 222.292 0.495 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640489330 361282579 /nfs/dbraw/zinc/28/25/79/361282579.db2.gz WVBITERLSIJOLC-LAEOZQHASA-N 1 2 222.292 0.495 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC000640489409 361283143 /nfs/dbraw/zinc/28/31/43/361283143.db2.gz XRETZQGTKFAXMO-BXKDBHETSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC000640489409 361283148 /nfs/dbraw/zinc/28/31/48/361283148.db2.gz XRETZQGTKFAXMO-BXKDBHETSA-N 1 2 235.287 0.904 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478816 361255857 /nfs/dbraw/zinc/25/58/57/361255857.db2.gz BTAGLDHUHRWIGJ-MWLCHTKSSA-N 1 2 222.292 0.255 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478816 361255861 /nfs/dbraw/zinc/25/58/61/361255861.db2.gz BTAGLDHUHRWIGJ-MWLCHTKSSA-N 1 2 222.292 0.255 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478917 361256088 /nfs/dbraw/zinc/25/60/88/361256088.db2.gz CJPBERGNOUFXHS-MWLCHTKSSA-N 1 2 222.292 0.426 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640478917 361256093 /nfs/dbraw/zinc/25/60/93/361256093.db2.gz CJPBERGNOUFXHS-MWLCHTKSSA-N 1 2 222.292 0.426 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474626 361256975 /nfs/dbraw/zinc/25/69/75/361256975.db2.gz UQMAWIALLIKHBE-LDYMZIIASA-N 1 2 223.276 0.589 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640474626 361256979 /nfs/dbraw/zinc/25/69/79/361256979.db2.gz UQMAWIALLIKHBE-LDYMZIIASA-N 1 2 223.276 0.589 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483018 361258108 /nfs/dbraw/zinc/25/81/08/361258108.db2.gz UPSWKNBUFDKUGH-ZYHUDNBSSA-N 1 2 236.319 0.563 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483018 361258110 /nfs/dbraw/zinc/25/81/10/361258110.db2.gz UPSWKNBUFDKUGH-ZYHUDNBSSA-N 1 2 236.319 0.563 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2conc2C)C1 ZINC000640486848 361273395 /nfs/dbraw/zinc/27/33/95/361273395.db2.gz UVTXMTZWIGZASU-JTQLQIEISA-N 1 2 239.275 0.642 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)Nc2conc2C)C1 ZINC000640486848 361273396 /nfs/dbraw/zinc/27/33/96/361273396.db2.gz UVTXMTZWIGZASU-JTQLQIEISA-N 1 2 239.275 0.642 20 0 BCADLO O=C(CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000613214696 361305434 /nfs/dbraw/zinc/30/54/34/361305434.db2.gz SSZLRJKIZOVCND-VIFPVBQESA-N 1 2 247.298 0.610 20 0 BCADLO O=C(CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000613214696 361305438 /nfs/dbraw/zinc/30/54/38/361305438.db2.gz SSZLRJKIZOVCND-VIFPVBQESA-N 1 2 247.298 0.610 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)CCC(C)C)[C@@H](C)O ZINC000579122091 366716402 /nfs/dbraw/zinc/71/64/02/366716402.db2.gz NPUCNYYLPBPAKH-GMTAPVOTSA-N 1 2 247.335 0.296 20 0 BCADLO CCOC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000579127736 366719333 /nfs/dbraw/zinc/71/93/33/366719333.db2.gz FRGYMERZNGEILA-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO CCOC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000579127736 366719338 /nfs/dbraw/zinc/71/93/38/366719338.db2.gz FRGYMERZNGEILA-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO CN(C)C(=O)NCCN(C)c1cccc[nH+]1 ZINC000428162735 201000790 /nfs/dbraw/zinc/00/07/90/201000790.db2.gz GSPWIEBAERQWDL-UHFFFAOYSA-N 1 2 222.292 0.789 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CO)[nH]1 ZINC000428296207 201005132 /nfs/dbraw/zinc/00/51/32/201005132.db2.gz VUNGLKMVWGALRW-MRVPVSSYSA-N 1 2 212.297 0.741 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CO)[nH]1 ZINC000428296207 201005134 /nfs/dbraw/zinc/00/51/34/201005134.db2.gz VUNGLKMVWGALRW-MRVPVSSYSA-N 1 2 212.297 0.741 20 0 BCADLO COCC1(O)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428290668 201005218 /nfs/dbraw/zinc/00/52/18/201005218.db2.gz ZIJIHCLKKLDPFD-UHFFFAOYSA-N 1 2 240.307 0.086 20 0 BCADLO CCn1cc(NC(=O)Cn2cc[nH+]c2)ccc1=O ZINC000579178002 366726831 /nfs/dbraw/zinc/72/68/31/366726831.db2.gz BHRWZDFMJVJEAX-UHFFFAOYSA-N 1 2 246.270 0.703 20 0 BCADLO COCC[N@H+](Cc1nnc(C)[nH]1)C1CC1 ZINC000428418415 201012649 /nfs/dbraw/zinc/01/26/49/201012649.db2.gz BIOCSMSMSVTTFM-UHFFFAOYSA-N 1 2 210.281 0.724 20 0 BCADLO COCC[N@@H+](Cc1nnc(C)[nH]1)C1CC1 ZINC000428418415 201012652 /nfs/dbraw/zinc/01/26/52/201012652.db2.gz BIOCSMSMSVTTFM-UHFFFAOYSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)[nH]1 ZINC000428382897 201013062 /nfs/dbraw/zinc/01/30/62/201013062.db2.gz KRYSAKTZBUFDKF-LBPRGKRZSA-N 1 2 249.318 0.215 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)[nH]1 ZINC000428382897 201013065 /nfs/dbraw/zinc/01/30/65/201013065.db2.gz KRYSAKTZBUFDKF-LBPRGKRZSA-N 1 2 249.318 0.215 20 0 BCADLO CCc1nc(C)c(C[N@H+](C)CC(N)=O)o1 ZINC000428469036 201021880 /nfs/dbraw/zinc/02/18/80/201021880.db2.gz RKQIMXALOKZTAT-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCc1nc(C)c(C[N@@H+](C)CC(N)=O)o1 ZINC000428469036 201021881 /nfs/dbraw/zinc/02/18/81/201021881.db2.gz RKQIMXALOKZTAT-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cocn2)CC1=O ZINC000428882181 201048175 /nfs/dbraw/zinc/04/81/75/201048175.db2.gz RCRNFFRMUXLRRR-KKZNHRDASA-N 1 2 235.287 0.774 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)n1C ZINC000429134592 201071040 /nfs/dbraw/zinc/07/10/40/201071040.db2.gz KWXNFRPDLWCJML-UWVGGRQHSA-N 1 2 238.335 0.723 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)n1C ZINC000429134592 201071044 /nfs/dbraw/zinc/07/10/44/201071044.db2.gz KWXNFRPDLWCJML-UWVGGRQHSA-N 1 2 238.335 0.723 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(=O)c(O)co1 ZINC000429147662 201073017 /nfs/dbraw/zinc/07/30/17/201073017.db2.gz BUCYAVVGGBIVNZ-UHFFFAOYSA-N 1 2 240.259 0.043 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(=O)c(O)co1 ZINC000429147662 201073020 /nfs/dbraw/zinc/07/30/20/201073020.db2.gz BUCYAVVGGBIVNZ-UHFFFAOYSA-N 1 2 240.259 0.043 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000579247445 366746610 /nfs/dbraw/zinc/74/66/10/366746610.db2.gz TUYYTSKNTOSTSB-IQJOONFLSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000579247445 366746618 /nfs/dbraw/zinc/74/66/18/366746618.db2.gz TUYYTSKNTOSTSB-IQJOONFLSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000579247418 366746971 /nfs/dbraw/zinc/74/69/71/366746971.db2.gz TUYYTSKNTOSTSB-FXPVBKGRSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000579247418 366746976 /nfs/dbraw/zinc/74/69/76/366746976.db2.gz TUYYTSKNTOSTSB-FXPVBKGRSA-N 1 2 237.303 0.882 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(OC)cn1 ZINC000429162519 201077443 /nfs/dbraw/zinc/07/74/43/201077443.db2.gz LJHNWUMABOLJHF-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(OC)cn1 ZINC000429162519 201077447 /nfs/dbraw/zinc/07/74/47/201077447.db2.gz LJHNWUMABOLJHF-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO Cc1nsc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000309822892 491157334 /nfs/dbraw/zinc/15/73/34/491157334.db2.gz WSRYXBKVVGKZFJ-APPZFPTMSA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nsc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000309822892 491157335 /nfs/dbraw/zinc/15/73/35/491157335.db2.gz WSRYXBKVVGKZFJ-APPZFPTMSA-N 1 2 242.348 0.978 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nnnn1C1CC1 ZINC000429225885 201079958 /nfs/dbraw/zinc/07/99/58/201079958.db2.gz IDRILCGYHSXPSJ-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000429225885 201079959 /nfs/dbraw/zinc/07/99/59/201079959.db2.gz IDRILCGYHSXPSJ-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO COCc1noc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000429236371 201082761 /nfs/dbraw/zinc/08/27/61/201082761.db2.gz UGGDDTVGOXKWHN-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000429236371 201082764 /nfs/dbraw/zinc/08/27/64/201082764.db2.gz UGGDDTVGOXKWHN-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(CO)CCC2)o1 ZINC000429249877 201083586 /nfs/dbraw/zinc/08/35/86/201083586.db2.gz CZCGPACHSXUJOF-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(CO)CCC2)o1 ZINC000429249877 201083589 /nfs/dbraw/zinc/08/35/89/201083589.db2.gz CZCGPACHSXUJOF-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nnc(C)[nH]1 ZINC000429242268 201084410 /nfs/dbraw/zinc/08/44/10/201084410.db2.gz RCYBVIVFAYVUEV-UHFFFAOYSA-N 1 2 212.297 0.970 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000429242268 201084412 /nfs/dbraw/zinc/08/44/12/201084412.db2.gz RCYBVIVFAYVUEV-UHFFFAOYSA-N 1 2 212.297 0.970 20 0 BCADLO COc1cc[nH+]c(CN2CCc3nn[nH]c3C2)c1 ZINC000429310716 201098924 /nfs/dbraw/zinc/09/89/24/201098924.db2.gz AGNMVJTVLFQKQB-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO Cc1ccoc1C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000429360578 201102934 /nfs/dbraw/zinc/10/29/34/201102934.db2.gz HHTVACJCJBIRHK-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO Cc1ccoc1C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000429360578 201102935 /nfs/dbraw/zinc/10/29/35/201102935.db2.gz HHTVACJCJBIRHK-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO [NH3+][C@H]1CCCCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629543424 361410978 /nfs/dbraw/zinc/41/09/78/361410978.db2.gz BECVGFBLDWRCDW-FRRDWIJNSA-N 1 2 241.379 0.303 20 0 BCADLO C[C@H]1CCN(Cc2[nH]cc[nH+]2)CC[S@]1=O ZINC000429557862 201115262 /nfs/dbraw/zinc/11/52/62/201115262.db2.gz IBXWPQQDGIBSIY-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO [NH3+][C@H]1CCCCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629543423 361411694 /nfs/dbraw/zinc/41/16/94/361411694.db2.gz BECVGFBLDWRCDW-AGIUHOORSA-N 1 2 241.379 0.303 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429571878 201117316 /nfs/dbraw/zinc/11/73/16/201117316.db2.gz SNFMYCQJSGNYBH-XIZWVBILSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429571878 201117318 /nfs/dbraw/zinc/11/73/18/201117318.db2.gz SNFMYCQJSGNYBH-XIZWVBILSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)CC[S@@]1=O ZINC000429571478 201117489 /nfs/dbraw/zinc/11/74/89/201117489.db2.gz DILVOKRUBROJBK-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]cn2C)CC[S@@]1=O ZINC000429571472 201119479 /nfs/dbraw/zinc/11/94/79/201119479.db2.gz DILVOKRUBROJBK-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO CCC[C@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000433193667 201166113 /nfs/dbraw/zinc/16/61/13/201166113.db2.gz SBMKIUIUJGAJCR-NSHDSACASA-N 1 2 225.292 0.919 20 0 BCADLO O=C(CCOCC1CC1)NCCn1cc[nH+]c1 ZINC000433523110 201188379 /nfs/dbraw/zinc/18/83/79/201188379.db2.gz ZPKJAFNPBQDERO-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO O[C@@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@@H]1O ZINC000433812918 201196745 /nfs/dbraw/zinc/19/67/45/201196745.db2.gz XLARGQWKPPGWPK-TXEJJXNPSA-N 1 2 248.257 0.916 20 0 BCADLO O=C(CCOCC1CC1)NCCc1[nH]cc[nH+]1 ZINC000434009312 201202471 /nfs/dbraw/zinc/20/24/71/201202471.db2.gz WYJCNZAFZHIJOK-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000434097478 201206270 /nfs/dbraw/zinc/20/62/70/201206270.db2.gz ICLDZMPVFQFUSF-SECBINFHSA-N 1 2 249.318 0.753 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000434097478 201206271 /nfs/dbraw/zinc/20/62/71/201206271.db2.gz ICLDZMPVFQFUSF-SECBINFHSA-N 1 2 249.318 0.753 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(F)(F)F ZINC000163749816 361567482 /nfs/dbraw/zinc/56/74/82/361567482.db2.gz YDFNQFJDAWAYOP-RNFRBKRXSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(F)(F)F ZINC000163749816 361567493 /nfs/dbraw/zinc/56/74/93/361567493.db2.gz YDFNQFJDAWAYOP-RNFRBKRXSA-N 1 2 241.209 0.547 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCNC(=O)[C@@H]2C)[nH+]1 ZINC000433787518 201193043 /nfs/dbraw/zinc/19/30/43/201193043.db2.gz VRWHLFFPUVLOSD-ZETCQYMHSA-N 1 2 245.286 0.591 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434543679 201227194 /nfs/dbraw/zinc/22/71/94/201227194.db2.gz HWKDSISSEPRRKY-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434543679 201227198 /nfs/dbraw/zinc/22/71/98/201227198.db2.gz HWKDSISSEPRRKY-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO O=C(CCOCC1CC1)NCc1c[nH+]c[nH]1 ZINC000434398797 201217115 /nfs/dbraw/zinc/21/71/15/201217115.db2.gz YIGBRSKDHRCTCO-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO O=C(CCOCC1CC1)NCc1c[nH]c[nH+]1 ZINC000434398797 201217118 /nfs/dbraw/zinc/21/71/18/201217118.db2.gz YIGBRSKDHRCTCO-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](OC)C1 ZINC000629686247 361608439 /nfs/dbraw/zinc/60/84/39/361608439.db2.gz BDIXYKVGPNZUNH-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](OC)C1 ZINC000629686247 361608441 /nfs/dbraw/zinc/60/84/41/361608441.db2.gz BDIXYKVGPNZUNH-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542974 201226610 /nfs/dbraw/zinc/22/66/10/201226610.db2.gz PALPKRQKDNIVPO-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542974 201226613 /nfs/dbraw/zinc/22/66/13/201226613.db2.gz PALPKRQKDNIVPO-WDEREUQCSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434543676 201225628 /nfs/dbraw/zinc/22/56/28/201225628.db2.gz HWKDSISSEPRRKY-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434543676 201225630 /nfs/dbraw/zinc/22/56/30/201225630.db2.gz HWKDSISSEPRRKY-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(CC2CC2)C1 ZINC000434783572 201242033 /nfs/dbraw/zinc/24/20/33/201242033.db2.gz LLRJHMRHUYFVCB-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc2ccccn12 ZINC000434686838 201234504 /nfs/dbraw/zinc/23/45/04/201234504.db2.gz XFZKNVDECYHIHY-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc2ccccn12 ZINC000434686838 201234507 /nfs/dbraw/zinc/23/45/07/201234507.db2.gz XFZKNVDECYHIHY-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO CNC(=O)CN(C)Cc1c[nH+]c2ccccn12 ZINC000434686838 201234509 /nfs/dbraw/zinc/23/45/09/201234509.db2.gz XFZKNVDECYHIHY-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO C[N@H+](CCCCCO)Cc1n[nH]c(=O)[nH]1 ZINC000434684772 201235215 /nfs/dbraw/zinc/23/52/15/201235215.db2.gz MVUAAWKPFVMWSH-UHFFFAOYSA-N 1 2 214.269 0.105 20 0 BCADLO C[N@@H+](CCCCCO)Cc1n[nH]c(=O)[nH]1 ZINC000434684772 201235218 /nfs/dbraw/zinc/23/52/18/201235218.db2.gz MVUAAWKPFVMWSH-UHFFFAOYSA-N 1 2 214.269 0.105 20 0 BCADLO Cn1cc(CCC[N@H+](CCO)CC(F)F)cn1 ZINC000310035572 491159726 /nfs/dbraw/zinc/15/97/26/491159726.db2.gz GUJWLRSRMNDJLD-UHFFFAOYSA-N 1 2 247.289 0.912 20 0 BCADLO Cn1cc(CCC[N@@H+](CCO)CC(F)F)cn1 ZINC000310035572 491159727 /nfs/dbraw/zinc/15/97/27/491159727.db2.gz GUJWLRSRMNDJLD-UHFFFAOYSA-N 1 2 247.289 0.912 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000448561325 201275154 /nfs/dbraw/zinc/27/51/54/201275154.db2.gz NJQCPDAVFUULSZ-GHMZBOCLSA-N 1 2 226.320 0.481 20 0 BCADLO CCOC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000154895979 201298678 /nfs/dbraw/zinc/29/86/78/201298678.db2.gz SADKYDVWRQUUKO-VIFPVBQESA-N 1 2 233.308 0.315 20 0 BCADLO Cc1[nH+]ccn1CCCCNC(=O)c1nnc[nH]1 ZINC000435934027 201301419 /nfs/dbraw/zinc/30/14/19/201301419.db2.gz HWFGWHHPAWPZHS-UHFFFAOYSA-N 1 2 248.290 0.520 20 0 BCADLO CC1=CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000436274770 201319793 /nfs/dbraw/zinc/31/97/93/201319793.db2.gz XHLAGVGIFGNGFZ-UHFFFAOYSA-N 1 2 234.303 0.960 20 0 BCADLO CC1=CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000436274770 201319797 /nfs/dbraw/zinc/31/97/97/201319797.db2.gz XHLAGVGIFGNGFZ-UHFFFAOYSA-N 1 2 234.303 0.960 20 0 BCADLO COCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000170484570 361692040 /nfs/dbraw/zinc/69/20/40/361692040.db2.gz TZRRRHLTPTVAKA-UHFFFAOYSA-N 1 2 229.305 0.790 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1ccc(F)cc1O ZINC000436498828 201332216 /nfs/dbraw/zinc/33/22/16/201332216.db2.gz WGXKKMJNPURZFB-UHFFFAOYSA-N 1 2 238.262 0.967 20 0 BCADLO COC[C@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000432170269 192935367 /nfs/dbraw/zinc/93/53/67/192935367.db2.gz RHAMRBHRUIZNEJ-MRVPVSSYSA-N 1 2 233.275 0.588 20 0 BCADLO CN(CC(C)(C)CO)C(=O)Cc1c[nH+]cn1C ZINC000622076933 370697015 /nfs/dbraw/zinc/69/70/15/370697015.db2.gz ANNSCFBTIZOHRR-UHFFFAOYSA-N 1 2 239.319 0.440 20 0 BCADLO O=C(NC[C@@H]1CN2CC[N@@H+]1CCC2)C1=CCCC1 ZINC000614507046 363831864 /nfs/dbraw/zinc/83/18/64/363831864.db2.gz LKCPAVBDLJMZHR-CYBMUJFWSA-N 1 2 249.358 0.603 20 0 BCADLO O=C(NC[C@@H]1CN2CC[N@H+]1CCC2)C1=CCCC1 ZINC000614507046 363831870 /nfs/dbraw/zinc/83/18/70/363831870.db2.gz LKCPAVBDLJMZHR-CYBMUJFWSA-N 1 2 249.358 0.603 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCN1 ZINC000614735894 363944926 /nfs/dbraw/zinc/94/49/26/363944926.db2.gz AEQNKNDXNBNYNA-JTQLQIEISA-N 1 2 234.303 0.573 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614701020 363931112 /nfs/dbraw/zinc/93/11/12/363931112.db2.gz POKHTZVVHGCSTB-YJQGPUDQSA-N 1 2 247.298 0.207 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H](O)C1CC1 ZINC000614702920 363932945 /nfs/dbraw/zinc/93/29/45/363932945.db2.gz LYGVXQUMTBVDPD-MWLCHTKSSA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CCC[C@H]1O)c1c[nH]c[nH+]1 ZINC000622098540 370707191 /nfs/dbraw/zinc/70/71/91/370707191.db2.gz HFEDAJIDJGKGGU-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)(C(=O)N[C@H]1C[C@@](C)(O)C1)c1c[nH]c[nH+]1 ZINC000622109783 370715309 /nfs/dbraw/zinc/71/53/09/370715309.db2.gz BYXGSNLLEYVTDN-LYWQIFSTSA-N 1 2 237.303 0.717 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000614934088 364196120 /nfs/dbraw/zinc/19/61/20/364196120.db2.gz GAMDJNMNLSGFMD-GMTAPVOTSA-N 1 2 249.314 0.819 20 0 BCADLO CC[N@H+](CC(=O)NCC(C)C)CC(=O)N(C)C ZINC000051768717 364191896 /nfs/dbraw/zinc/19/18/96/364191896.db2.gz ALTXTZZYVQUHBY-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO CC[N@@H+](CC(=O)NCC(C)C)CC(=O)N(C)C ZINC000051768717 364191902 /nfs/dbraw/zinc/19/19/02/364191902.db2.gz ALTXTZZYVQUHBY-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO Cc1nocc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000630551973 364246637 /nfs/dbraw/zinc/24/66/37/364246637.db2.gz UOXCOJWOYJPHKG-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO CC(=O)C(C)(C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000630606598 364330192 /nfs/dbraw/zinc/33/01/92/364330192.db2.gz LKQRUALPENEHRX-UHFFFAOYSA-N 1 2 233.275 0.847 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCOC[C@H]1C ZINC000250702567 364379598 /nfs/dbraw/zinc/37/95/98/364379598.db2.gz UHPZRTDEADSACQ-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCOC[C@H]1C ZINC000250702567 364379600 /nfs/dbraw/zinc/37/96/00/364379600.db2.gz UHPZRTDEADSACQ-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)C)[C@@H](C)O ZINC000191959478 219940626 /nfs/dbraw/zinc/94/06/26/219940626.db2.gz ZBSQGGWRMNFOSR-BDAKNGLRSA-N 1 2 217.309 0.935 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnoc1C ZINC000181651890 366836440 /nfs/dbraw/zinc/83/64/40/366836440.db2.gz ZMGVRVGISVQRTN-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnoc1C ZINC000181651890 366836446 /nfs/dbraw/zinc/83/64/46/366836446.db2.gz ZMGVRVGISVQRTN-UHFFFAOYSA-N 1 2 225.292 0.941 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000134596410 541358483 /nfs/dbraw/zinc/35/84/83/541358483.db2.gz JMRLDVRGHXQLIN-LDYMZIIASA-N 1 2 225.292 0.520 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000134596472 541358595 /nfs/dbraw/zinc/35/85/95/541358595.db2.gz JMRLDVRGHXQLIN-KWQFWETISA-N 1 2 225.292 0.520 20 0 BCADLO CCOCC[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000135148306 364430841 /nfs/dbraw/zinc/43/08/41/364430841.db2.gz DLIFTXGEXAHZGW-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000135148306 364430843 /nfs/dbraw/zinc/43/08/43/364430843.db2.gz DLIFTXGEXAHZGW-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000181988730 366857544 /nfs/dbraw/zinc/85/75/44/366857544.db2.gz YAAMOYSVXFHZMK-SNVBAGLBSA-N 1 2 242.319 0.573 20 0 BCADLO C[C@@H](NC(=O)[C@](C)(O)C1CC1)c1[nH]cc[nH+]1 ZINC000615158188 364551438 /nfs/dbraw/zinc/55/14/38/364551438.db2.gz KMEVSDJBMNVOQQ-RDDDGLTNSA-N 1 2 223.276 0.748 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H](O)C1CC1 ZINC000615233932 364649526 /nfs/dbraw/zinc/64/95/26/364649526.db2.gz RBXBNCCASLQIDQ-LLVKDONJSA-N 1 2 236.271 0.477 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000615235412 364651249 /nfs/dbraw/zinc/65/12/49/364651249.db2.gz DTWQOEVZVQPWBS-ZETCQYMHSA-N 1 2 246.274 0.282 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000615235412 364651254 /nfs/dbraw/zinc/65/12/54/364651254.db2.gz DTWQOEVZVQPWBS-ZETCQYMHSA-N 1 2 246.274 0.282 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000554562097 364688579 /nfs/dbraw/zinc/68/85/79/364688579.db2.gz FZMVXVHKTSKVLX-QMMMGPOBSA-N 1 2 221.297 0.607 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000554562097 364688583 /nfs/dbraw/zinc/68/85/83/364688583.db2.gz FZMVXVHKTSKVLX-QMMMGPOBSA-N 1 2 221.297 0.607 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615296964 364678870 /nfs/dbraw/zinc/67/88/70/364678870.db2.gz ULCQVNGTYNANKD-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615296964 364678876 /nfs/dbraw/zinc/67/88/76/364678876.db2.gz ULCQVNGTYNANKD-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H](CC(=O)N1CC[C@](C)(O)C1)n1cc[nH+]c1 ZINC000566074132 364713070 /nfs/dbraw/zinc/71/30/70/364713070.db2.gz SNIQEPDBJFTQDI-PWSUYJOCSA-N 1 2 237.303 0.818 20 0 BCADLO CO[C@H](C[NH2+]Cc1nnn(C)n1)CC(C)C ZINC000669572518 487527858 /nfs/dbraw/zinc/52/78/58/487527858.db2.gz HMDTYHRIDJETHY-VIFPVBQESA-N 1 2 227.312 0.361 20 0 BCADLO CCn1ccnc1CNC(=O)CCn1cc[nH+]c1 ZINC000573338472 364804625 /nfs/dbraw/zinc/80/46/25/364804625.db2.gz OQUKTPMZLXFLQH-UHFFFAOYSA-N 1 2 247.302 0.806 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000333003591 364763557 /nfs/dbraw/zinc/76/35/57/364763557.db2.gz JMXWIKMTMRBIJO-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](O)CCOC(C)C)no1 ZINC000573479395 364842909 /nfs/dbraw/zinc/84/29/09/364842909.db2.gz WRODXKRDBFALBD-SNVBAGLBSA-N 1 2 243.307 0.644 20 0 BCADLO CCn1nncc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573740781 364906556 /nfs/dbraw/zinc/90/65/56/364906556.db2.gz IVRAUIYELRXMSS-SSDOTTSWSA-N 1 2 234.263 0.512 20 0 BCADLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CO ZINC000573829535 364926004 /nfs/dbraw/zinc/92/60/04/364926004.db2.gz CBQIYZJKAXUKGE-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO COC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000573861440 364933250 /nfs/dbraw/zinc/93/32/50/364933250.db2.gz XCTWGZBSBFDBNF-MRVPVSSYSA-N 1 2 223.276 0.446 20 0 BCADLO COC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000573861440 364933252 /nfs/dbraw/zinc/93/32/52/364933252.db2.gz XCTWGZBSBFDBNF-MRVPVSSYSA-N 1 2 223.276 0.446 20 0 BCADLO COC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000573861441 364933263 /nfs/dbraw/zinc/93/32/63/364933263.db2.gz XCTWGZBSBFDBNF-QMMMGPOBSA-N 1 2 223.276 0.446 20 0 BCADLO COC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000573861441 364933265 /nfs/dbraw/zinc/93/32/65/364933265.db2.gz XCTWGZBSBFDBNF-QMMMGPOBSA-N 1 2 223.276 0.446 20 0 BCADLO [NH3+]CCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000237946592 181373461 /nfs/dbraw/zinc/37/34/61/181373461.db2.gz XBDBGFGFFJIZKD-UHFFFAOYSA-N 1 2 219.248 0.635 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)C[C@H](C)O ZINC000291318785 541407744 /nfs/dbraw/zinc/40/77/44/541407744.db2.gz UNKQJMSPSFWJJA-ZETCQYMHSA-N 1 2 228.248 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)C[C@H](C)O ZINC000291318785 541407747 /nfs/dbraw/zinc/40/77/47/541407747.db2.gz UNKQJMSPSFWJJA-ZETCQYMHSA-N 1 2 228.248 0.274 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)n1C ZINC000334605882 541415862 /nfs/dbraw/zinc/41/58/62/541415862.db2.gz VIAKYCJRTCYLDI-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CCN(CCCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573979243 364960777 /nfs/dbraw/zinc/96/07/77/364960777.db2.gz FYKMJMQXCNNWSQ-SNVBAGLBSA-N 1 2 239.319 0.819 20 0 BCADLO CCN(CCCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573979243 364960782 /nfs/dbraw/zinc/96/07/82/364960782.db2.gz FYKMJMQXCNNWSQ-SNVBAGLBSA-N 1 2 239.319 0.819 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1CCC1(O)CC1 ZINC000574104329 364988101 /nfs/dbraw/zinc/98/81/01/364988101.db2.gz JANDOZFJSDQLFV-SECBINFHSA-N 1 2 222.292 0.570 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1CCC1(O)CC1 ZINC000574104329 364988104 /nfs/dbraw/zinc/98/81/04/364988104.db2.gz JANDOZFJSDQLFV-SECBINFHSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCOC2 ZINC000574193635 365008094 /nfs/dbraw/zinc/00/80/94/365008094.db2.gz NAOQUXINOPFVBX-UHFFFAOYSA-N 1 2 235.287 0.212 20 0 BCADLO CC(C)(NC(=O)Cn1cc[nH+]c1)c1ncc[nH]1 ZINC000574213363 365012526 /nfs/dbraw/zinc/01/25/26/365012526.db2.gz PHSPHLYBHUUWQU-UHFFFAOYSA-N 1 2 233.275 0.658 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000574385655 365049762 /nfs/dbraw/zinc/04/97/62/365049762.db2.gz SPFRBVJGVPLMKH-QMMMGPOBSA-N 1 2 239.275 0.030 20 0 BCADLO c1cc(C[NH2+]Cc2c[nH]c3nccnc23)[nH]n1 ZINC000574445632 365063755 /nfs/dbraw/zinc/06/37/55/365063755.db2.gz MUUPUCOVTAFOCV-UHFFFAOYSA-N 1 2 228.259 0.922 20 0 BCADLO COC(=O)C(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000574288502 365028849 /nfs/dbraw/zinc/02/88/49/365028849.db2.gz OXPPDYWOQCILMB-UHFFFAOYSA-N 1 2 242.319 0.396 20 0 BCADLO CC(C)(CO)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000574289653 365030782 /nfs/dbraw/zinc/03/07/82/365030782.db2.gz HZPQWMJYEBFOCZ-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(CO)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000574289653 365030787 /nfs/dbraw/zinc/03/07/87/365030787.db2.gz HZPQWMJYEBFOCZ-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCOC1 ZINC000574305741 365033157 /nfs/dbraw/zinc/03/31/57/365033157.db2.gz DROLNNMSXCUDOD-MRVPVSSYSA-N 1 2 226.280 0.510 20 0 BCADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCOC1 ZINC000574305741 365033165 /nfs/dbraw/zinc/03/31/65/365033165.db2.gz DROLNNMSXCUDOD-MRVPVSSYSA-N 1 2 226.280 0.510 20 0 BCADLO C[C@@H](CC(=O)N[C@@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000575063988 365184447 /nfs/dbraw/zinc/18/44/47/365184447.db2.gz NBKWNCHPLCPBEM-IUCAKERBSA-N 1 2 248.290 0.830 20 0 BCADLO C[C@@H](CC(=O)N[C@@H](C)c1nnc[nH]1)n1cc[nH+]c1 ZINC000575063988 365184453 /nfs/dbraw/zinc/18/44/53/365184453.db2.gz NBKWNCHPLCPBEM-IUCAKERBSA-N 1 2 248.290 0.830 20 0 BCADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)n1ccnc1 ZINC000575049979 365178074 /nfs/dbraw/zinc/17/80/74/365178074.db2.gz WDWVIDWBXHOQOG-LLVKDONJSA-N 1 2 247.302 0.847 20 0 BCADLO C[C@H](CC(=O)NCCn1ccnc1)n1cc[nH+]c1 ZINC000575049979 365178079 /nfs/dbraw/zinc/17/80/79/365178079.db2.gz WDWVIDWBXHOQOG-LLVKDONJSA-N 1 2 247.302 0.847 20 0 BCADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)n1ccnc1 ZINC000575049980 365178352 /nfs/dbraw/zinc/17/83/52/365178352.db2.gz WDWVIDWBXHOQOG-NSHDSACASA-N 1 2 247.302 0.847 20 0 BCADLO C[C@@H](CC(=O)NCCn1ccnc1)n1cc[nH+]c1 ZINC000575049980 365178354 /nfs/dbraw/zinc/17/83/54/365178354.db2.gz WDWVIDWBXHOQOG-NSHDSACASA-N 1 2 247.302 0.847 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345765 193018752 /nfs/dbraw/zinc/01/87/52/193018752.db2.gz LLBFJMXYRBAJOI-IWSPIJDZSA-N 1 2 240.307 0.492 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345765 193018756 /nfs/dbraw/zinc/01/87/56/193018756.db2.gz LLBFJMXYRBAJOI-IWSPIJDZSA-N 1 2 240.307 0.492 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000443866191 193030482 /nfs/dbraw/zinc/03/04/82/193030482.db2.gz YVEBXWGDDQDNRX-QMMMGPOBSA-N 1 2 247.345 0.006 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000443866191 193030484 /nfs/dbraw/zinc/03/04/84/193030484.db2.gz YVEBXWGDDQDNRX-QMMMGPOBSA-N 1 2 247.345 0.006 20 0 BCADLO COCCOC1CN(c2cc[nH+]c(C)n2)C1 ZINC000444090210 193034791 /nfs/dbraw/zinc/03/47/91/193034791.db2.gz ZNTLOAHWPXGRFH-UHFFFAOYSA-N 1 2 223.276 0.637 20 0 BCADLO CCOCCO[C@H]1CC[N@H+](CC(=O)OC)C1 ZINC000157699014 193019408 /nfs/dbraw/zinc/01/94/08/193019408.db2.gz SVGMDCHZENKDDU-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000157699014 193019410 /nfs/dbraw/zinc/01/94/10/193019410.db2.gz SVGMDCHZENKDDU-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC1(O)CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000622274297 370815329 /nfs/dbraw/zinc/81/53/29/370815329.db2.gz CKUXHDBCYGGVPJ-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171990272 365265879 /nfs/dbraw/zinc/26/58/79/365265879.db2.gz AUGFYFWEWQRALU-UHFFFAOYSA-N 1 2 206.236 0.710 20 0 BCADLO C[N@H+](CCO)Cc1nncn1-c1ccccc1 ZINC000444597174 193051302 /nfs/dbraw/zinc/05/13/02/193051302.db2.gz MVEYCJICNBBHFQ-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO C[N@@H+](CCO)Cc1nncn1-c1ccccc1 ZINC000444597174 193051304 /nfs/dbraw/zinc/05/13/04/193051304.db2.gz MVEYCJICNBBHFQ-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172100298 365292306 /nfs/dbraw/zinc/29/23/06/365292306.db2.gz XRUZWKXBKDWCQJ-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172100298 365292308 /nfs/dbraw/zinc/29/23/08/365292308.db2.gz XRUZWKXBKDWCQJ-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CC1(C)CN(Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000336699699 365359831 /nfs/dbraw/zinc/35/98/31/365359831.db2.gz ZWEYQYWSFFVKNT-VIFPVBQESA-N 1 2 225.292 0.381 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](CCCO)C1 ZINC000575875699 365400381 /nfs/dbraw/zinc/40/03/81/365400381.db2.gz QMUNSUVMRAVXSZ-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO Cc1c(C[N@H+](C)CC(=O)N2CCC2)cnn1C ZINC000575950238 365422524 /nfs/dbraw/zinc/42/25/24/365422524.db2.gz YFJDRCMZTTYPLB-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1c(C[N@@H+](C)CC(=O)N2CCC2)cnn1C ZINC000575950238 365422534 /nfs/dbraw/zinc/42/25/34/365422534.db2.gz YFJDRCMZTTYPLB-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)N(C)C)n1 ZINC000579729874 366996632 /nfs/dbraw/zinc/99/66/32/366996632.db2.gz YWDMSIMLDVIEOR-MRVPVSSYSA-N 1 2 240.307 0.849 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)N(C)C)n1 ZINC000579729874 366996633 /nfs/dbraw/zinc/99/66/33/366996633.db2.gz YWDMSIMLDVIEOR-MRVPVSSYSA-N 1 2 240.307 0.849 20 0 BCADLO Cc1[nH]c(=O)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000439961613 201467667 /nfs/dbraw/zinc/46/76/67/201467667.db2.gz NDXGMPPSHPIOQN-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)N(C)C)n1 ZINC000579729876 366996358 /nfs/dbraw/zinc/99/63/58/366996358.db2.gz YWDMSIMLDVIEOR-QMMMGPOBSA-N 1 2 240.307 0.849 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)N(C)C)n1 ZINC000579729876 366996362 /nfs/dbraw/zinc/99/63/62/366996362.db2.gz YWDMSIMLDVIEOR-QMMMGPOBSA-N 1 2 240.307 0.849 20 0 BCADLO CN(Cc1cccnc1)C(=O)Cn1cc[nH+]c1 ZINC000579778885 367004203 /nfs/dbraw/zinc/00/42/03/367004203.db2.gz HAWKWXQQZJZUEF-UHFFFAOYSA-N 1 2 230.271 0.937 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)COC)[C@@H](C)CC ZINC000183580633 367030955 /nfs/dbraw/zinc/03/09/55/367030955.db2.gz DTFXALYYASIHNZ-DCAQKATOSA-N 1 2 247.335 0.561 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)COC)[C@@H](C)CC ZINC000183580667 367031298 /nfs/dbraw/zinc/03/12/98/367031298.db2.gz DTFXALYYASIHNZ-GARJFASQSA-N 1 2 247.335 0.561 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000579998338 367117658 /nfs/dbraw/zinc/11/76/58/367117658.db2.gz XACRDAJKTGZRRY-AXFHLTTASA-N 1 2 240.303 0.719 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000579998338 367117659 /nfs/dbraw/zinc/11/76/59/367117659.db2.gz XACRDAJKTGZRRY-AXFHLTTASA-N 1 2 240.303 0.719 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185118635 367119259 /nfs/dbraw/zinc/11/92/59/367119259.db2.gz YAHJAWLTDIGEIX-QFYYESIMSA-N 1 2 248.392 0.457 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185118635 367119264 /nfs/dbraw/zinc/11/92/64/367119264.db2.gz YAHJAWLTDIGEIX-QFYYESIMSA-N 1 2 248.392 0.457 20 0 BCADLO Cc1oncc1C[N@H+](C)CC(=O)NC1CC1 ZINC000185170113 367123452 /nfs/dbraw/zinc/12/34/52/367123452.db2.gz OGHYHYMMAXYBLA-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1oncc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000185170113 367123457 /nfs/dbraw/zinc/12/34/57/367123457.db2.gz OGHYHYMMAXYBLA-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1oncc1C[N@@H+](C)CC(=O)N(C)C ZINC000185169739 367123921 /nfs/dbraw/zinc/12/39/21/367123921.db2.gz KXIPRQNJOGXWMU-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cc1oncc1C[N@H+](C)CC(=O)N(C)C ZINC000185169739 367123926 /nfs/dbraw/zinc/12/39/26/367123926.db2.gz KXIPRQNJOGXWMU-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CC2)[nH]1 ZINC000185182234 367125717 /nfs/dbraw/zinc/12/57/17/367125717.db2.gz GXVZUPQPVOIREX-UHFFFAOYSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CC2)[nH]1 ZINC000185182234 367125726 /nfs/dbraw/zinc/12/57/26/367125726.db2.gz GXVZUPQPVOIREX-UHFFFAOYSA-N 1 2 210.281 0.324 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000622307465 370836048 /nfs/dbraw/zinc/83/60/48/370836048.db2.gz AHHXMIWMNRBVSC-UHFFFAOYSA-N 1 2 205.221 0.036 20 0 BCADLO Cc1ccn(CC(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000622309360 370837213 /nfs/dbraw/zinc/83/72/13/370837213.db2.gz OAWFLSPCPAJOCJ-LLVKDONJSA-N 1 2 247.302 0.593 20 0 BCADLO CC[C@@H](O)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000622283973 370822259 /nfs/dbraw/zinc/82/22/59/370822259.db2.gz JEYVWKSZJKJMSA-SECBINFHSA-N 1 2 225.292 0.540 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000580772608 367161787 /nfs/dbraw/zinc/16/17/87/367161787.db2.gz KKZGLNMIUGVTEG-APPZFPTMSA-N 1 2 243.332 0.420 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000580950747 367213943 /nfs/dbraw/zinc/21/39/43/367213943.db2.gz XAIXCQVHBSQWTF-IONNQARKSA-N 1 2 241.316 0.390 20 0 BCADLO CCOC[C@H](O)C[NH+]1CC(OCCCOC)C1 ZINC000193834327 367218153 /nfs/dbraw/zinc/21/81/53/367218153.db2.gz ICKWXVOVZUDXCP-LLVKDONJSA-N 1 2 247.335 0.121 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1CCO ZINC000380672853 367277064 /nfs/dbraw/zinc/27/70/64/367277064.db2.gz BXZROLWSRKYIAH-SNVBAGLBSA-N 1 2 223.276 0.257 20 0 BCADLO CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)OC)CC1 ZINC000194562464 367304688 /nfs/dbraw/zinc/30/46/88/367304688.db2.gz GUFJQTCLJOZVSD-SNVBAGLBSA-N 1 2 243.303 0.823 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000194842883 367323338 /nfs/dbraw/zinc/32/33/38/367323338.db2.gz AKHVGQWXBMRBRV-CMPLNLGQSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000194842883 367323342 /nfs/dbraw/zinc/32/33/42/367323342.db2.gz AKHVGQWXBMRBRV-CMPLNLGQSA-N 1 2 237.303 0.565 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)COCC(C)C ZINC000194896164 367325181 /nfs/dbraw/zinc/32/51/81/367325181.db2.gz AFMYSYIGABMQLD-SNVBAGLBSA-N 1 2 233.308 0.125 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000194896164 367325185 /nfs/dbraw/zinc/32/51/85/367325185.db2.gz AFMYSYIGABMQLD-SNVBAGLBSA-N 1 2 233.308 0.125 20 0 BCADLO Cc1nnc(CC[NH2+][C@H](C)c2ncc[nH]2)[nH]1 ZINC000381482086 367416041 /nfs/dbraw/zinc/41/60/41/367416041.db2.gz SZLNKXPDTFDVCQ-SSDOTTSWSA-N 1 2 220.280 0.730 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000383120703 367597297 /nfs/dbraw/zinc/59/72/97/367597297.db2.gz BNDXKFPUXQCFGR-GHMZBOCLSA-N 1 2 247.335 0.120 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cnn2c1CCC2 ZINC000622353664 370863241 /nfs/dbraw/zinc/86/32/41/370863241.db2.gz XYCAMONEEHBQIU-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccsn1 ZINC000622353624 370862828 /nfs/dbraw/zinc/86/28/28/370862828.db2.gz WJSKBXNVCOQORY-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2n(n1)CCC2 ZINC000622361328 370868638 /nfs/dbraw/zinc/86/86/38/370868638.db2.gz BVVVTRAWUZAYMQ-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384643091 367711879 /nfs/dbraw/zinc/71/18/79/367711879.db2.gz SUJNIAOORCRZDR-BZNPZCIMSA-N 1 2 201.266 0.703 20 0 BCADLO C[C@@H](C[S@@](C)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC000581759814 367811065 /nfs/dbraw/zinc/81/10/65/367811065.db2.gz PBKHYYCBAVHFFC-XXFAHNHDSA-N 1 2 243.332 0.109 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384763 370881776 /nfs/dbraw/zinc/88/17/76/370881776.db2.gz RCVPLQRYXBXIAL-VIFPVBQESA-N 1 2 211.265 0.841 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384763 370881781 /nfs/dbraw/zinc/88/17/81/370881781.db2.gz RCVPLQRYXBXIAL-VIFPVBQESA-N 1 2 211.265 0.841 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1CN(CC(F)F)C1 ZINC000622384311 370882038 /nfs/dbraw/zinc/88/20/38/370882038.db2.gz ADLLLLBORURCOW-UHFFFAOYSA-N 1 2 244.245 0.223 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1CN(CC(F)F)C1 ZINC000622384311 370882043 /nfs/dbraw/zinc/88/20/43/370882043.db2.gz ADLLLLBORURCOW-UHFFFAOYSA-N 1 2 244.245 0.223 20 0 BCADLO C[C@H](C1CCC1)[N@H+](C)Cc1nnn(C)n1 ZINC000440796509 201523752 /nfs/dbraw/zinc/52/37/52/201523752.db2.gz LGFYLMHESKDAFK-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H](C1CCC1)[N@@H+](C)Cc1nnn(C)n1 ZINC000440796509 201523755 /nfs/dbraw/zinc/52/37/55/201523755.db2.gz LGFYLMHESKDAFK-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO Cc1ccn(CC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000622366571 370871375 /nfs/dbraw/zinc/87/13/75/370871375.db2.gz HSELUVBWCYXJNX-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCCn1cc[nH+]c1 ZINC000581735226 367800048 /nfs/dbraw/zinc/80/00/48/367800048.db2.gz KDVHQRBTMUSPQQ-NSHDSACASA-N 1 2 225.292 0.408 20 0 BCADLO CC[C@@H]1[C@@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000385728007 367858587 /nfs/dbraw/zinc/85/85/87/367858587.db2.gz TULKCKLPLGYDAS-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)OC ZINC000385365409 367821952 /nfs/dbraw/zinc/82/19/52/367821952.db2.gz PWYTZAAPFQXUAY-MRVPVSSYSA-N 1 2 211.265 0.554 20 0 BCADLO CC(=O)N1CC([NH2+][C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000581834530 367838535 /nfs/dbraw/zinc/83/85/35/367838535.db2.gz RZHNJTNIAFLAKM-KCJUWKMLSA-N 1 2 234.303 0.709 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000581923191 367926908 /nfs/dbraw/zinc/92/69/08/367926908.db2.gz YRERUPUZJAJRHD-VIFPVBQESA-N 1 2 216.281 0.006 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000581923191 367926912 /nfs/dbraw/zinc/92/69/12/367926912.db2.gz YRERUPUZJAJRHD-VIFPVBQESA-N 1 2 216.281 0.006 20 0 BCADLO C[C@H](C(N)=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000023467028 367994127 /nfs/dbraw/zinc/99/41/27/367994127.db2.gz KYBNVNJYARZMBT-SNVBAGLBSA-N 1 2 237.303 0.271 20 0 BCADLO C[C@@H](C(N)=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000023467029 367994173 /nfs/dbraw/zinc/99/41/73/367994173.db2.gz KYBNVNJYARZMBT-JTQLQIEISA-N 1 2 237.303 0.271 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2[nH+]ccn2C)[C@@H](C)O1 ZINC000630921605 367952558 /nfs/dbraw/zinc/95/25/58/367952558.db2.gz GCUAYDTYCPVZKG-BBBLOLIVSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1CSC1 ZINC000630927821 367980703 /nfs/dbraw/zinc/98/07/03/367980703.db2.gz NJOWAXWCSJIQHD-VIFPVBQESA-N 1 2 244.360 0.186 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1CSC1 ZINC000630927821 367980707 /nfs/dbraw/zinc/98/07/07/367980707.db2.gz NJOWAXWCSJIQHD-VIFPVBQESA-N 1 2 244.360 0.186 20 0 BCADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000566455717 326050691 /nfs/dbraw/zinc/05/06/91/326050691.db2.gz JWNBUEXMJPDLJJ-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)CO ZINC000566455717 326050694 /nfs/dbraw/zinc/05/06/94/326050694.db2.gz JWNBUEXMJPDLJJ-ZJUUUORDSA-N 1 2 239.319 0.818 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCOC1 ZINC000615761985 368276129 /nfs/dbraw/zinc/27/61/29/368276129.db2.gz ARQMCVHQJHCTQW-VIFPVBQESA-N 1 2 221.260 0.262 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCOC1 ZINC000615761984 368276283 /nfs/dbraw/zinc/27/62/83/368276283.db2.gz ARQMCVHQJHCTQW-SECBINFHSA-N 1 2 221.260 0.262 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCOC1 ZINC000615762545 368281169 /nfs/dbraw/zinc/28/11/69/368281169.db2.gz DRPDJRDNSMBDLJ-VIFPVBQESA-N 1 2 221.260 0.262 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOC1 ZINC000615765802 368290938 /nfs/dbraw/zinc/29/09/38/368290938.db2.gz YNSIUZOGZWGIAE-MRVPVSSYSA-N 1 2 221.260 0.331 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOC1 ZINC000615765802 368290941 /nfs/dbraw/zinc/29/09/41/368290941.db2.gz YNSIUZOGZWGIAE-MRVPVSSYSA-N 1 2 221.260 0.331 20 0 BCADLO COC[C@@H](C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000399626252 368418274 /nfs/dbraw/zinc/41/82/74/368418274.db2.gz OZSCWACJLPBQKT-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO O=C(COC1CCCC1)NCCn1cc[nH+]c1 ZINC000044326535 368419879 /nfs/dbraw/zinc/41/98/79/368419879.db2.gz UMBMLIXGRSSNBA-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CC1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C)CC1 ZINC000046774035 368450061 /nfs/dbraw/zinc/45/00/61/368450061.db2.gz CRPWVJCSDMVHRB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC1CCN(C(=O)C[N@H+]2CCOC[C@H]2C)CC1 ZINC000046774035 368450063 /nfs/dbraw/zinc/45/00/63/368450063.db2.gz CRPWVJCSDMVHRB-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000045786001 368432451 /nfs/dbraw/zinc/43/24/51/368432451.db2.gz BBZZJRNCYRMUFD-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000045786001 368432459 /nfs/dbraw/zinc/43/24/59/368432459.db2.gz BBZZJRNCYRMUFD-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO COC(=O)C[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000056511371 368470779 /nfs/dbraw/zinc/47/07/79/368470779.db2.gz IYAVGFCREPKEBA-UHFFFAOYSA-N 1 2 240.303 0.150 20 0 BCADLO CN(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000057600025 368496705 /nfs/dbraw/zinc/49/67/05/368496705.db2.gz KHSRXNYRKWUVGN-UHFFFAOYSA-N 1 2 212.215 0.959 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000057600025 368496710 /nfs/dbraw/zinc/49/67/10/368496710.db2.gz KHSRXNYRKWUVGN-UHFFFAOYSA-N 1 2 212.215 0.959 20 0 BCADLO CCN(CC)C(=O)C[NH+]1CCN(C(C)=O)CC1 ZINC000058874601 368523387 /nfs/dbraw/zinc/52/33/87/368523387.db2.gz FQRIHPMIINHQNC-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO O=S1(=O)CCCN1CCNc1cccc[nH+]1 ZINC000060874796 368555074 /nfs/dbraw/zinc/55/50/74/368555074.db2.gz GYUCJVXNTFGYDJ-UHFFFAOYSA-N 1 2 241.316 0.529 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000060531945 368545331 /nfs/dbraw/zinc/54/53/31/368545331.db2.gz KDANUKUSZLYGPT-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000061799552 368571837 /nfs/dbraw/zinc/57/18/37/368571837.db2.gz PYNDMOYZRMWSOL-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000061799552 368571841 /nfs/dbraw/zinc/57/18/41/368571841.db2.gz PYNDMOYZRMWSOL-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000063707595 368594380 /nfs/dbraw/zinc/59/43/80/368594380.db2.gz IMSIUFLXHAIRQY-JTQLQIEISA-N 1 2 235.287 0.789 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC12COC2 ZINC000615920627 368666226 /nfs/dbraw/zinc/66/62/26/368666226.db2.gz DCJBNAUAGMVYOY-SNVBAGLBSA-N 1 2 247.298 0.447 20 0 BCADLO CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000065757778 368628768 /nfs/dbraw/zinc/62/87/68/368628768.db2.gz DKYLAWPJSVUBQG-UHFFFAOYSA-N 1 2 240.307 0.893 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC12COC2 ZINC000615916372 368656156 /nfs/dbraw/zinc/65/61/56/368656156.db2.gz BKPNKOPFUZJVQA-SNVBAGLBSA-N 1 2 247.298 0.447 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccccn1 ZINC000082308334 368671116 /nfs/dbraw/zinc/67/11/16/368671116.db2.gz XVIXFBFHNGYKGE-UHFFFAOYSA-N 1 2 216.244 0.595 20 0 BCADLO Cc1nccc(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000615925581 368679646 /nfs/dbraw/zinc/67/96/46/368679646.db2.gz JKJGETXUAFCGMY-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO O=C(CO)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000622418946 370910173 /nfs/dbraw/zinc/91/01/73/370910173.db2.gz YWGSDGOVNDRMPH-UHFFFAOYSA-N 1 2 209.249 0.108 20 0 BCADLO O=C(CO)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000622418946 370910178 /nfs/dbraw/zinc/91/01/78/370910178.db2.gz YWGSDGOVNDRMPH-UHFFFAOYSA-N 1 2 209.249 0.108 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H](O)C2CC2)c2[nH+]ccn21 ZINC000615965305 368805449 /nfs/dbraw/zinc/80/54/49/368805449.db2.gz YKAXKGWZOALJTC-JEZHCXPESA-N 1 2 235.287 0.776 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)NC)cn1 ZINC000073167518 368797681 /nfs/dbraw/zinc/79/76/81/368797681.db2.gz WHYDUQQSGHDTJA-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)NC)cn1 ZINC000073167518 368797685 /nfs/dbraw/zinc/79/76/85/368797685.db2.gz WHYDUQQSGHDTJA-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000618926362 368900427 /nfs/dbraw/zinc/90/04/27/368900427.db2.gz YFNASJCABAKOEG-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000618926405 368901838 /nfs/dbraw/zinc/90/18/38/368901838.db2.gz YZTJNUJXDUJPTF-GXSJLCMTSA-N 1 2 237.303 0.632 20 0 BCADLO c1cnc2c(c1)C[N@@H+](C[C@H]1COCCO1)C2 ZINC000567380400 326179275 /nfs/dbraw/zinc/17/92/75/326179275.db2.gz ZZJJYXYHUFJJMC-NSHDSACASA-N 1 2 220.272 0.813 20 0 BCADLO c1cnc2c(c1)C[N@H+](C[C@H]1COCCO1)C2 ZINC000567380400 326179278 /nfs/dbraw/zinc/17/92/78/326179278.db2.gz ZZJJYXYHUFJJMC-NSHDSACASA-N 1 2 220.272 0.813 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1CC[C@H]1O)n1cc[nH+]c1 ZINC000567395739 326182636 /nfs/dbraw/zinc/18/26/36/326182636.db2.gz BTDBFLMCJCWAKQ-OPRDCNLKSA-N 1 2 223.276 0.474 20 0 BCADLO C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000618577629 369176900 /nfs/dbraw/zinc/17/69/00/369176900.db2.gz SFGFANYCMCZPPJ-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000458325748 203161380 /nfs/dbraw/zinc/16/13/80/203161380.db2.gz ZCWWOJNUXGMSEN-OUAUKWLOSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000458325748 203161383 /nfs/dbraw/zinc/16/13/83/203161383.db2.gz ZCWWOJNUXGMSEN-OUAUKWLOSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000458325746 203161595 /nfs/dbraw/zinc/16/15/95/203161595.db2.gz ZCWWOJNUXGMSEN-GMTAPVOTSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000458325746 203161597 /nfs/dbraw/zinc/16/15/97/203161597.db2.gz ZCWWOJNUXGMSEN-GMTAPVOTSA-N 1 2 241.335 0.367 20 0 BCADLO CSC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000567612997 326228975 /nfs/dbraw/zinc/22/89/75/326228975.db2.gz IIBYLXAUQNLRBN-BQBZGAKWSA-N 1 2 229.292 0.316 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000459281328 203246357 /nfs/dbraw/zinc/24/63/57/203246357.db2.gz CFLWNXQVFYCASS-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000459281328 203246359 /nfs/dbraw/zinc/24/63/59/203246359.db2.gz CFLWNXQVFYCASS-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459292119 203248119 /nfs/dbraw/zinc/24/81/19/203248119.db2.gz ABMORLARAOHXDF-VIFPVBQESA-N 1 2 242.710 0.486 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459292119 203248122 /nfs/dbraw/zinc/24/81/22/203248122.db2.gz ABMORLARAOHXDF-VIFPVBQESA-N 1 2 242.710 0.486 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2CC)CCO1 ZINC000459309909 203253555 /nfs/dbraw/zinc/25/35/55/203253555.db2.gz LPURFWAPNNPEJI-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2CC)CCO1 ZINC000459309909 203253559 /nfs/dbraw/zinc/25/35/59/203253559.db2.gz LPURFWAPNNPEJI-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO COC(=O)[C@H]([N@H+](C)CCO)C1(OC)CCC1 ZINC000459316645 203255542 /nfs/dbraw/zinc/25/55/42/203255542.db2.gz SVBOSYMHDFJWKW-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@H]([N@@H+](C)CCO)C1(OC)CCC1 ZINC000459316645 203255545 /nfs/dbraw/zinc/25/55/45/203255545.db2.gz SVBOSYMHDFJWKW-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H](C)O)C(=O)OC ZINC000459406843 203276045 /nfs/dbraw/zinc/27/60/45/203276045.db2.gz OQWMTZBPPIHBSM-IWSPIJDZSA-N 1 2 203.282 0.545 20 0 BCADLO Cc1cncc(CCNC(=O)Cn2cc[nH+]c2)n1 ZINC000619196937 369302946 /nfs/dbraw/zinc/30/29/46/369302946.db2.gz HIZBGXMSGQVNMA-UHFFFAOYSA-N 1 2 245.286 0.340 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@H]1F ZINC000567709365 326248881 /nfs/dbraw/zinc/24/88/81/326248881.db2.gz XHGXWJCWODZSKT-MWLCHTKSSA-N 1 2 225.267 0.827 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CC2(CCC2)C1)[C@@H](C)O ZINC000459518146 203296024 /nfs/dbraw/zinc/29/60/24/203296024.db2.gz WYNSZIDHFRYKOI-SCZZXKLOSA-N 1 2 227.304 0.831 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2cc(C)on2)CC1=O ZINC000459574865 203305782 /nfs/dbraw/zinc/30/57/82/203305782.db2.gz JNNWOJXVZVLQHM-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1Cc2cccnc2C1 ZINC000567724664 326251296 /nfs/dbraw/zinc/25/12/96/326251296.db2.gz UQLQVFALHNUVJG-GFCCVEGCSA-N 1 2 220.272 0.737 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1Cc2cccnc2C1 ZINC000567724664 326251298 /nfs/dbraw/zinc/25/12/98/326251298.db2.gz UQLQVFALHNUVJG-GFCCVEGCSA-N 1 2 220.272 0.737 20 0 BCADLO CC[C@@](COC)([NH2+]CCCOC)C(=O)OC ZINC000459564396 203304811 /nfs/dbraw/zinc/30/48/11/203304811.db2.gz WGRFDPXPQSANMV-NSHDSACASA-N 1 2 233.308 0.581 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000459610550 203315757 /nfs/dbraw/zinc/31/57/57/203315757.db2.gz RKIZXKFOKKCWDB-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO Cc1c[nH+]c(CN2CC(NC(=O)C3CC3)C2)n1C ZINC000459617524 203316342 /nfs/dbraw/zinc/31/63/42/203316342.db2.gz LIXYZMBWGPMZRT-UHFFFAOYSA-N 1 2 248.330 0.439 20 0 BCADLO CNC(=O)NC1C[NH+](C/C=C\c2ccncc2)C1 ZINC000459615171 203317446 /nfs/dbraw/zinc/31/74/46/203317446.db2.gz ORBCROBBOVUAJD-IHWYPQMZSA-N 1 2 246.314 0.708 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(C)(CO)C2)c[nH]1 ZINC000459623310 203318943 /nfs/dbraw/zinc/31/89/43/203318943.db2.gz QPXPJBMSFAQPRP-UHFFFAOYSA-N 1 2 238.287 0.616 20 0 BCADLO O=C1CC[N@H+](Cc2noc3c2CCCC3)CCN1 ZINC000108857171 369412961 /nfs/dbraw/zinc/41/29/61/369412961.db2.gz SLUGUYAFDUKFTO-UHFFFAOYSA-N 1 2 249.314 0.875 20 0 BCADLO O=C1CC[N@@H+](Cc2noc3c2CCCC3)CCN1 ZINC000108857171 369412965 /nfs/dbraw/zinc/41/29/65/369412965.db2.gz SLUGUYAFDUKFTO-UHFFFAOYSA-N 1 2 249.314 0.875 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622496586 370961455 /nfs/dbraw/zinc/96/14/55/370961455.db2.gz AFQBVAIITPRQHU-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](C)CO ZINC000619514452 369455784 /nfs/dbraw/zinc/45/57/84/369455784.db2.gz HWJZJUKAXBAACG-CIUDSAMLSA-N 1 2 219.256 0.200 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H](C)CO ZINC000619514452 369455788 /nfs/dbraw/zinc/45/57/88/369455788.db2.gz HWJZJUKAXBAACG-CIUDSAMLSA-N 1 2 219.256 0.200 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1Cc1c[nH+]c[nH]1 ZINC000619513132 369456419 /nfs/dbraw/zinc/45/64/19/369456419.db2.gz FYJXZMLGIXMPNZ-CBAPKCEASA-N 1 2 227.239 0.495 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1Cc1c[nH]c[nH+]1 ZINC000619513132 369456423 /nfs/dbraw/zinc/45/64/23/369456423.db2.gz FYJXZMLGIXMPNZ-CBAPKCEASA-N 1 2 227.239 0.495 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCCO ZINC000619513539 369456479 /nfs/dbraw/zinc/45/64/79/369456479.db2.gz PVIUSDFLHKQWLA-UWVGGRQHSA-N 1 2 233.283 0.734 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCCO ZINC000619513539 369456484 /nfs/dbraw/zinc/45/64/84/369456484.db2.gz PVIUSDFLHKQWLA-UWVGGRQHSA-N 1 2 233.283 0.734 20 0 BCADLO C[N@H+](CCn1ccccc1=O)CC(=O)NC1CC1 ZINC000622500218 370963434 /nfs/dbraw/zinc/96/34/34/370963434.db2.gz IIPGGMBKCSVHDP-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO C[N@@H+](CCn1ccccc1=O)CC(=O)NC1CC1 ZINC000622500218 370963437 /nfs/dbraw/zinc/96/34/37/370963437.db2.gz IIPGGMBKCSVHDP-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO C[C@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000619656391 369510272 /nfs/dbraw/zinc/51/02/72/369510272.db2.gz FIXYFWRJKPWEFM-VIFPVBQESA-N 1 2 208.265 0.687 20 0 BCADLO CC[N@H+](CC(=O)OC)[C@H]1CCCOC1 ZINC000225276340 369558410 /nfs/dbraw/zinc/55/84/10/369558410.db2.gz SRFGWCBZYKWPEB-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@@H+](CC(=O)OC)[C@H]1CCCOC1 ZINC000225276340 369558416 /nfs/dbraw/zinc/55/84/16/369558416.db2.gz SRFGWCBZYKWPEB-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO C[C@H](O)C1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000620075341 369708844 /nfs/dbraw/zinc/70/88/44/369708844.db2.gz SFQMDDVSNXFFIU-UWVGGRQHSA-N 1 2 237.303 0.864 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC1([C@@H](C)O)CC1 ZINC000620061309 369693452 /nfs/dbraw/zinc/69/34/52/369693452.db2.gz JPKATIXNWDRAIM-MRVPVSSYSA-N 1 2 223.276 0.290 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC1([C@@H](C)O)CC1 ZINC000620061309 369693456 /nfs/dbraw/zinc/69/34/56/369693456.db2.gz JPKATIXNWDRAIM-MRVPVSSYSA-N 1 2 223.276 0.290 20 0 BCADLO C[C@@H](O)C1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000620075340 369708605 /nfs/dbraw/zinc/70/86/05/369708605.db2.gz SFQMDDVSNXFFIU-NXEZZACHSA-N 1 2 237.303 0.864 20 0 BCADLO C/C=C\CNC(=O)NCCn1cc[nH+]c1 ZINC000623705248 369978340 /nfs/dbraw/zinc/97/83/40/369978340.db2.gz ONDFUDAAQTZZNN-IHWYPQMZSA-N 1 2 208.265 0.758 20 0 BCADLO C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH+]ccn1C ZINC000620611163 369957843 /nfs/dbraw/zinc/95/78/43/369957843.db2.gz ZPAYXCHLWRXSBD-IMSYWVGJSA-N 1 2 235.287 0.490 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620547639 369912114 /nfs/dbraw/zinc/91/21/14/369912114.db2.gz DKCXAKZZLCTJAS-KDDOJWQBSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620547639 369912117 /nfs/dbraw/zinc/91/21/17/369912117.db2.gz DKCXAKZZLCTJAS-KDDOJWQBSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620553059 369917985 /nfs/dbraw/zinc/91/79/85/369917985.db2.gz DSXXQSOEESUIGL-XWIASGKRSA-N 1 2 249.314 0.739 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620591909 369944317 /nfs/dbraw/zinc/94/43/17/369944317.db2.gz HWLSCUXWIGMNIX-SECBINFHSA-N 1 2 223.276 0.967 20 0 BCADLO C[C@H](NC(=O)c1ccnn1C)c1[nH+]ccn1C ZINC000620594839 369947420 /nfs/dbraw/zinc/94/74/20/369947420.db2.gz HHCSZKMHOKHYCJ-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595065 369948037 /nfs/dbraw/zinc/94/80/37/369948037.db2.gz HBBPCHOBJMZXJG-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO CC(=O)NCC(=O)Nc1cc[nH+]c(C)c1 ZINC000074688429 370003604 /nfs/dbraw/zinc/00/36/04/370003604.db2.gz GXBMWRZEJWXGMR-UHFFFAOYSA-N 1 2 207.233 0.465 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000620865802 370016313 /nfs/dbraw/zinc/01/63/13/370016313.db2.gz AXMNVSFEAKHPCY-NRPADANISA-N 1 2 223.276 0.228 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000620865802 370016321 /nfs/dbraw/zinc/01/63/21/370016321.db2.gz AXMNVSFEAKHPCY-NRPADANISA-N 1 2 223.276 0.228 20 0 BCADLO Cc1nccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000620733143 369982394 /nfs/dbraw/zinc/98/23/94/369982394.db2.gz VFMWHIGQKVJPLO-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO Cc1cn(C)nc1NC(=O)CCn1cc[nH+]c1 ZINC000620922731 370056658 /nfs/dbraw/zinc/05/66/58/370056658.db2.gz ZHENDVWCARDNKV-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO C[C@@H](CC(=O)NCCOCCF)n1cc[nH+]c1 ZINC000621085871 370095136 /nfs/dbraw/zinc/09/51/36/370095136.db2.gz QXESLFFLYQFNNT-JTQLQIEISA-N 1 2 243.282 0.937 20 0 BCADLO C[C@H](CC(=O)NCCOCCF)n1cc[nH+]c1 ZINC000621085872 370095142 /nfs/dbraw/zinc/09/51/42/370095142.db2.gz QXESLFFLYQFNNT-SNVBAGLBSA-N 1 2 243.282 0.937 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCOCCF ZINC000621088784 370097570 /nfs/dbraw/zinc/09/75/70/370097570.db2.gz JGUBWAQSWVAJME-UHFFFAOYSA-N 1 2 243.282 0.766 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCOCCF ZINC000621092091 370101236 /nfs/dbraw/zinc/10/12/36/370101236.db2.gz BUIJYDIGTSLGPF-UHFFFAOYSA-N 1 2 229.255 0.445 20 0 BCADLO CCn1nccc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000621115958 370112312 /nfs/dbraw/zinc/11/23/12/370112312.db2.gz SOVWEKIDKDHIEW-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CC12CC(C1)CN2C(=O)C[NH+]1CCOCC1 ZINC000621215644 370160066 /nfs/dbraw/zinc/16/00/66/370160066.db2.gz MPMZAZDEIHCIFY-UHFFFAOYSA-N 1 2 224.304 0.330 20 0 BCADLO c1snnc1C[NH2+]CCN1CCCOCC1 ZINC000309559986 370229095 /nfs/dbraw/zinc/22/90/95/370229095.db2.gz OBKDIALCGTWPOI-UHFFFAOYSA-N 1 2 242.348 0.350 20 0 BCADLO Cc1nc(N2Cc3nn(C)c(N)c3C2)cc[nH+]1 ZINC000621326024 370257061 /nfs/dbraw/zinc/25/70/61/370257061.db2.gz VEZIWBRIUKQLDK-UHFFFAOYSA-N 1 2 230.275 0.621 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1CO ZINC000621366757 370301969 /nfs/dbraw/zinc/30/19/69/370301969.db2.gz QMLCVJHROYQSMT-UWVGGRQHSA-N 1 2 224.308 0.265 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1CO ZINC000621366757 370301974 /nfs/dbraw/zinc/30/19/74/370301974.db2.gz QMLCVJHROYQSMT-UWVGGRQHSA-N 1 2 224.308 0.265 20 0 BCADLO CCOC(=O)CN(CC)C(=O)Cn1cc[nH+]c1 ZINC000310162366 370311824 /nfs/dbraw/zinc/31/18/24/370311824.db2.gz QLEIPDCATJBEQU-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373379 370312620 /nfs/dbraw/zinc/31/26/20/370312620.db2.gz HPBJFEBIGWSRRT-WDEREUQCSA-N 1 2 238.335 0.748 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373379 370312624 /nfs/dbraw/zinc/31/26/24/370312624.db2.gz HPBJFEBIGWSRRT-WDEREUQCSA-N 1 2 238.335 0.748 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)C[C@H]1CO ZINC000621373612 370312893 /nfs/dbraw/zinc/31/28/93/370312893.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H]1CO ZINC000621373612 370312896 /nfs/dbraw/zinc/31/28/96/370312896.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H]1CO ZINC000621373612 370312899 /nfs/dbraw/zinc/31/28/99/370312899.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H]1CO ZINC000621373612 370312902 /nfs/dbraw/zinc/31/29/02/370312902.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H]1CO ZINC000621373612 370312904 /nfs/dbraw/zinc/31/29/04/370312904.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H]1CO ZINC000621373612 370312908 /nfs/dbraw/zinc/31/29/08/370312908.db2.gz MBEQSTHBQSHJEH-BDAKNGLRSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1CO ZINC000621373581 370313633 /nfs/dbraw/zinc/31/36/33/370313633.db2.gz LHVMTFFJBHUSHQ-UWVGGRQHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1CO ZINC000621373581 370313638 /nfs/dbraw/zinc/31/36/38/370313638.db2.gz LHVMTFFJBHUSHQ-UWVGGRQHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnn[nH]2)C[C@@H]1CO ZINC000621373613 370313702 /nfs/dbraw/zinc/31/37/02/370313702.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@@H]1CO ZINC000621373613 370313704 /nfs/dbraw/zinc/31/37/04/370313704.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@H+](Cc2c[nH]nn2)C[C@@H]1CO ZINC000621373613 370313709 /nfs/dbraw/zinc/31/37/09/370313709.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@@H]1CO ZINC000621373613 370313713 /nfs/dbraw/zinc/31/37/13/370313713.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1CO ZINC000621373613 370313716 /nfs/dbraw/zinc/31/37/16/370313716.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@@H]1CO ZINC000621373613 370313720 /nfs/dbraw/zinc/31/37/20/370313720.db2.gz MBEQSTHBQSHJEH-DTWKUNHWSA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H](C)O ZINC000568293493 326342411 /nfs/dbraw/zinc/34/24/11/326342411.db2.gz RBSHBBIWGUEOGF-VHSXEESVSA-N 1 2 228.336 0.604 20 0 BCADLO OC[C@@H]1CCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000077217727 370401210 /nfs/dbraw/zinc/40/12/10/370401210.db2.gz BJGNMIFLFDCIIG-JTQLQIEISA-N 1 2 245.286 0.623 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)CC ZINC000077377229 370414657 /nfs/dbraw/zinc/41/46/57/370414657.db2.gz VICPNHCTKSDSAW-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CC ZINC000077377229 370414661 /nfs/dbraw/zinc/41/46/61/370414661.db2.gz VICPNHCTKSDSAW-VHSXEESVSA-N 1 2 243.351 0.358 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCC ZINC000077377245 370414676 /nfs/dbraw/zinc/41/46/76/370414676.db2.gz OLRAKILYTCDZQF-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCC ZINC000077377245 370414682 /nfs/dbraw/zinc/41/46/82/370414682.db2.gz OLRAKILYTCDZQF-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000621714827 370462987 /nfs/dbraw/zinc/46/29/87/370462987.db2.gz ADMZCJGTYSDAQU-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccnc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000621714827 370462992 /nfs/dbraw/zinc/46/29/92/370462992.db2.gz ADMZCJGTYSDAQU-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCNC(=O)CC1 ZINC000621715324 370463167 /nfs/dbraw/zinc/46/31/67/370463167.db2.gz RCGRYZKSGVUBRX-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nccnc1C[N@H+]1CCNC(=O)CC1 ZINC000621715324 370463176 /nfs/dbraw/zinc/46/31/76/370463176.db2.gz RCGRYZKSGVUBRX-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2nccnc2C)CC1 ZINC000621718065 370467575 /nfs/dbraw/zinc/46/75/75/370467575.db2.gz XWTJBWNCINJFPC-UHFFFAOYSA-N 1 2 249.318 0.242 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000621717591 370468000 /nfs/dbraw/zinc/46/80/00/370468000.db2.gz IUOWJDHGQZSXFG-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000621717591 370468004 /nfs/dbraw/zinc/46/80/04/370468004.db2.gz IUOWJDHGQZSXFG-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000621722655 370473238 /nfs/dbraw/zinc/47/32/38/370473238.db2.gz DQDZXISLTBBPQG-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000621722655 370473241 /nfs/dbraw/zinc/47/32/41/370473241.db2.gz DQDZXISLTBBPQG-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000621723035 370474960 /nfs/dbraw/zinc/47/49/60/370474960.db2.gz RVSNVCAUVLXMGH-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000621723035 370474965 /nfs/dbraw/zinc/47/49/65/370474965.db2.gz RVSNVCAUVLXMGH-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO CNc1ccc(Nc2cc3c(nn2)CCC3)c[nH+]1 ZINC000621745372 370503254 /nfs/dbraw/zinc/50/32/54/370503254.db2.gz LXKWQIMVNKLTMU-UHFFFAOYSA-N 1 2 241.298 0.989 20 0 BCADLO Cc1nc(C[NH2+][C@]2(C(N)=O)CCOC2)cs1 ZINC000568408773 326355330 /nfs/dbraw/zinc/35/53/30/326355330.db2.gz XVWSUSCRNAEFTF-SNVBAGLBSA-N 1 2 241.316 0.186 20 0 BCADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000621915295 370597489 /nfs/dbraw/zinc/59/74/89/370597489.db2.gz YALUXIGMWMNOLL-VIFPVBQESA-N 1 2 237.303 0.935 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CC(C)(C)O ZINC000078778345 370600831 /nfs/dbraw/zinc/60/08/31/370600831.db2.gz HMXJCMWDQVGFHL-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CC(C)(C)O ZINC000078778345 370600836 /nfs/dbraw/zinc/60/08/36/370600836.db2.gz HMXJCMWDQVGFHL-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CCc1cc(N[C@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000078637767 370582186 /nfs/dbraw/zinc/58/21/86/370582186.db2.gz OTSHTBOZSCPMIB-MRVPVSSYSA-N 1 2 243.332 0.884 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(CC)CO ZINC000568529547 326363515 /nfs/dbraw/zinc/36/35/15/326363515.db2.gz GWFQPFOOMBMNDU-LBPRGKRZSA-N 1 2 239.319 0.928 20 0 BCADLO C[C@H](O)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621979292 370637848 /nfs/dbraw/zinc/63/78/48/370637848.db2.gz WMBMQMZYTDBRJY-VIFPVBQESA-N 1 2 239.319 0.965 20 0 BCADLO Cc1[nH]c(C(=O)NCCC2(CO)CC2)c[nH+]1 ZINC000622652598 371038525 /nfs/dbraw/zinc/03/85/25/371038525.db2.gz RWVBVXMZOSZHTI-UHFFFAOYSA-N 1 2 223.276 0.611 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)Cc2cnn(C)c2)c[nH+]1 ZINC000622653068 371039700 /nfs/dbraw/zinc/03/97/00/371039700.db2.gz GGUXNTYBEGYGAJ-QMMMGPOBSA-N 1 2 247.302 0.813 20 0 BCADLO CO[C@H](C)CCC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685859 371063560 /nfs/dbraw/zinc/06/35/60/371063560.db2.gz NPRULJHQZBIDDJ-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccsn2)c1 ZINC000622686920 371064094 /nfs/dbraw/zinc/06/40/94/371064094.db2.gz YJPVNBUFEXKVBO-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO Cc1cn(C)nc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686470 371064105 /nfs/dbraw/zinc/06/41/05/371064105.db2.gz JWTWGYFQDVQWOK-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123505276 371077966 /nfs/dbraw/zinc/07/79/66/371077966.db2.gz ZFPQBQWLWLJJCK-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOCC[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123505276 371077969 /nfs/dbraw/zinc/07/79/69/371077969.db2.gz ZFPQBQWLWLJJCK-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)c2ccccc21 ZINC000623862835 371132297 /nfs/dbraw/zinc/13/22/97/371132297.db2.gz CMJWEFMWFJKQJA-SSDOTTSWSA-N 1 2 242.286 0.952 20 0 BCADLO Cn1cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000623841635 371123044 /nfs/dbraw/zinc/12/30/44/371123044.db2.gz XPZWEDOBWNNXIU-LLVKDONJSA-N 1 2 249.318 0.058 20 0 BCADLO Cc1ccc2c(c1)N(c1nc(N)[nH+]c(N)n1)CC2 ZINC000623909354 371150952 /nfs/dbraw/zinc/15/09/52/371150952.db2.gz SLVLQGYTZLAJQM-UHFFFAOYSA-N 1 2 242.286 0.699 20 0 BCADLO CCc1nnc(C[N@H+](C)C(C)(C)CO)o1 ZINC000124773501 371233641 /nfs/dbraw/zinc/23/36/41/371233641.db2.gz CKZWTRMPWKYSCS-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)C(C)(C)CO)o1 ZINC000124773501 371233646 /nfs/dbraw/zinc/23/36/46/371233646.db2.gz CKZWTRMPWKYSCS-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO O=C(COCC(F)F)NCCn1cc[nH+]c1 ZINC000624075759 371293773 /nfs/dbraw/zinc/29/37/73/371293773.db2.gz XUSFGRTVYMRPPM-UHFFFAOYSA-N 1 2 233.218 0.281 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624124543 371326380 /nfs/dbraw/zinc/32/63/80/371326380.db2.gz FPKHKUOPRTVGAB-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624124543 371326384 /nfs/dbraw/zinc/32/63/84/371326384.db2.gz FPKHKUOPRTVGAB-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CC/C=C/CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624151002 371348417 /nfs/dbraw/zinc/34/84/17/371348417.db2.gz DTLIQUFXHZKHNN-ZWNMCFTASA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C/CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624151002 371348420 /nfs/dbraw/zinc/34/84/20/371348420.db2.gz DTLIQUFXHZKHNN-ZWNMCFTASA-N 1 2 241.335 0.582 20 0 BCADLO C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000624229612 371417467 /nfs/dbraw/zinc/41/74/67/371417467.db2.gz ZWUHMCJWYMCWBA-NXEZZACHSA-N 1 2 241.360 0.860 20 0 BCADLO C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000624229612 371417475 /nfs/dbraw/zinc/41/74/75/371417475.db2.gz ZWUHMCJWYMCWBA-NXEZZACHSA-N 1 2 241.360 0.860 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370790 371587557 /nfs/dbraw/zinc/58/75/57/371587557.db2.gz MTDSSAKDOCGRIP-HTQZYQBOSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370790 371587560 /nfs/dbraw/zinc/58/75/60/371587560.db2.gz MTDSSAKDOCGRIP-HTQZYQBOSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370064 371589030 /nfs/dbraw/zinc/58/90/30/371589030.db2.gz MTDSSAKDOCGRIP-YUMQZZPRSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370064 371589036 /nfs/dbraw/zinc/58/90/36/371589036.db2.gz MTDSSAKDOCGRIP-YUMQZZPRSA-N 1 2 205.261 0.950 20 0 BCADLO CO[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627371563 371589599 /nfs/dbraw/zinc/58/95/99/371589599.db2.gz JOHPBFQWDNSZJB-LLVKDONJSA-N 1 2 235.287 0.719 20 0 BCADLO CO[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627371563 371589605 /nfs/dbraw/zinc/58/96/05/371589605.db2.gz JOHPBFQWDNSZJB-LLVKDONJSA-N 1 2 235.287 0.719 20 0 BCADLO O=C([C@H]1CC1(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000627373498 371592528 /nfs/dbraw/zinc/59/25/28/371592528.db2.gz SYSUBZUYQWXLQL-ZCFIWIBFSA-N 1 2 227.214 0.950 20 0 BCADLO O=C([C@H]1CC1(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000627373498 371592531 /nfs/dbraw/zinc/59/25/31/371592531.db2.gz SYSUBZUYQWXLQL-ZCFIWIBFSA-N 1 2 227.214 0.950 20 0 BCADLO C[C@@H](NC(=O)COCC(F)F)c1[nH]cc[nH+]1 ZINC000627465551 371638477 /nfs/dbraw/zinc/63/84/77/371638477.db2.gz IOJCTRKYHSMJNV-ZCFIWIBFSA-N 1 2 233.218 0.869 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1CC(OC)C1 ZINC000627599204 371770442 /nfs/dbraw/zinc/77/04/42/371770442.db2.gz DWVXNCBUUQQNSY-UHFFFAOYSA-N 1 2 237.303 0.944 20 0 BCADLO CNc1cnc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000230103216 371849604 /nfs/dbraw/zinc/84/96/04/371849604.db2.gz AORJIXJCLIFJMS-UHFFFAOYSA-N 1 2 246.274 0.145 20 0 BCADLO O[C@@H]1COC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000306638442 372049185 /nfs/dbraw/zinc/04/91/85/372049185.db2.gz BXQGGKCHFWEARW-PHDIDXHHSA-N 1 2 234.708 0.646 20 0 BCADLO O=C(C1CC1)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000338283842 181864391 /nfs/dbraw/zinc/86/43/91/181864391.db2.gz NXMCHLYXTJVPCW-SNVBAGLBSA-N 1 2 235.287 0.590 20 0 BCADLO O=C(C[NH2+]Cc1ncc[nH]1)NC1CCCC1 ZINC000163959386 372083989 /nfs/dbraw/zinc/08/39/89/372083989.db2.gz HTGHYGICHSGSHY-UHFFFAOYSA-N 1 2 222.292 0.558 20 0 BCADLO O=C(c1cnco1)N1CC[NH+](CCCF)CC1 ZINC000627960159 372155898 /nfs/dbraw/zinc/15/58/98/372155898.db2.gz PZNKAEHOHFAEGF-UHFFFAOYSA-N 1 2 241.266 0.792 20 0 BCADLO CN(CCF)c1[nH+]cnc2c1cnn2C ZINC000631293512 372272471 /nfs/dbraw/zinc/27/24/71/372272471.db2.gz DCCYQPJLJMXPIR-UHFFFAOYSA-N 1 2 209.228 0.769 20 0 BCADLO Cc1oc(C(=O)NCc2c[nH+]c[nH]2)cc1CO ZINC000631415025 372348216 /nfs/dbraw/zinc/34/82/16/372348216.db2.gz ZNQQVWGJQCIRFV-UHFFFAOYSA-N 1 2 235.243 0.733 20 0 BCADLO Cc1oc(C(=O)NCc2c[nH]c[nH+]2)cc1CO ZINC000631415025 372348223 /nfs/dbraw/zinc/34/82/23/372348223.db2.gz ZNQQVWGJQCIRFV-UHFFFAOYSA-N 1 2 235.243 0.733 20 0 BCADLO Cc1noc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000631433106 372361966 /nfs/dbraw/zinc/36/19/66/372361966.db2.gz WRCFKJRDXGNTCI-UHFFFAOYSA-N 1 2 235.247 0.084 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](CO)C1 ZINC000631429662 372359214 /nfs/dbraw/zinc/35/92/14/372359214.db2.gz JTWKRYQVPSJCAD-DTORHVGOSA-N 1 2 223.276 0.976 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)COCC(C)C ZINC000171147295 372373609 /nfs/dbraw/zinc/37/36/09/372373609.db2.gz MXZOLURSOARJQS-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)COCC(C)C ZINC000171147295 372373617 /nfs/dbraw/zinc/37/36/17/372373617.db2.gz MXZOLURSOARJQS-NSHDSACASA-N 1 2 247.335 0.515 20 0 BCADLO Cc1nc(NC2CN(c3ccncn3)C2)cc[nH+]1 ZINC000631528005 372409871 /nfs/dbraw/zinc/40/98/71/372409871.db2.gz OGIWUVWJVRRJDY-UHFFFAOYSA-N 1 2 242.286 0.876 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2CCCc3ncccc32)n1 ZINC000631626292 372468005 /nfs/dbraw/zinc/46/80/05/372468005.db2.gz NLYQOXWYGKKKOG-NSHDSACASA-N 1 2 244.302 0.772 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418767 372574930 /nfs/dbraw/zinc/57/49/30/372574930.db2.gz XWIVGUPWTOOXOL-QWRGUYRKSA-N 1 2 226.320 0.433 20 0 BCADLO CC(C)CN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142601 372779022 /nfs/dbraw/zinc/77/90/22/372779022.db2.gz FVPSEQBSPHSTPI-UHFFFAOYSA-N 1 2 246.336 0.332 20 0 BCADLO O=C(C[C@H]1CCCC[C@@H]1O)NCc1[nH]cc[nH+]1 ZINC000280723454 182026838 /nfs/dbraw/zinc/02/68/38/182026838.db2.gz HONOMPQYOLHYLO-ZJUUUORDSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(C[C@H]1CCCO1)Nc1cc[nH+]cc1O ZINC000358359071 182028539 /nfs/dbraw/zinc/02/85/39/182028539.db2.gz SZTXQTYSAFFTLY-MRVPVSSYSA-N 1 2 222.244 0.717 20 0 BCADLO O=C(Cc1ccc[nH]1)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000372384573 182041251 /nfs/dbraw/zinc/04/12/51/182041251.db2.gz LXALTLRZVLNNRB-LLVKDONJSA-N 1 2 244.298 0.885 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CSC1 ZINC000632575289 373013956 /nfs/dbraw/zinc/01/39/56/373013956.db2.gz ITJAYQMCEWQQHA-SECBINFHSA-N 1 2 237.328 0.677 20 0 BCADLO CCN(C(=O)N1CC[N@H+](C)C[C@H]1CO)C(C)C ZINC000632578169 373015230 /nfs/dbraw/zinc/01/52/30/373015230.db2.gz OVLFQXJIZFDNPW-NSHDSACASA-N 1 2 243.351 0.445 20 0 BCADLO CCN(C(=O)N1CC[N@@H+](C)C[C@H]1CO)C(C)C ZINC000632578169 373015235 /nfs/dbraw/zinc/01/52/35/373015235.db2.gz OVLFQXJIZFDNPW-NSHDSACASA-N 1 2 243.351 0.445 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCOC1 ZINC000337462719 182058520 /nfs/dbraw/zinc/05/85/20/182058520.db2.gz NCPVEDBOCXVHOJ-SNVBAGLBSA-N 1 2 245.282 0.782 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371353647 182070288 /nfs/dbraw/zinc/07/02/88/182070288.db2.gz JHUCVZKRTWMFSG-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371353647 182070293 /nfs/dbraw/zinc/07/02/93/182070293.db2.gz JHUCVZKRTWMFSG-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000360493277 182070421 /nfs/dbraw/zinc/07/04/21/182070421.db2.gz XEAPHXKABBAGMR-JZYVYDRUSA-N 1 2 205.261 0.798 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccncc1 ZINC000112558849 182070734 /nfs/dbraw/zinc/07/07/34/182070734.db2.gz BMVBLGUFHQYJLQ-UHFFFAOYSA-N 1 2 202.217 0.917 20 0 BCADLO CC(C)(CNS(=O)(=O)C1CC1)n1cc[nH+]c1 ZINC000632731181 373118859 /nfs/dbraw/zinc/11/88/59/373118859.db2.gz QKAFMZXDZXXMLN-UHFFFAOYSA-N 1 2 243.332 0.700 20 0 BCADLO O=C(Cn1cc(Cl)cn1)NCc1c[nH+]c[nH]1 ZINC000353910277 182065459 /nfs/dbraw/zinc/06/54/59/182065459.db2.gz PGUXWBGGJBSYFI-UHFFFAOYSA-N 1 2 239.666 0.576 20 0 BCADLO O=C(Cn1cc(Cl)cn1)NCc1c[nH]c[nH+]1 ZINC000353910277 182065460 /nfs/dbraw/zinc/06/54/60/182065460.db2.gz PGUXWBGGJBSYFI-UHFFFAOYSA-N 1 2 239.666 0.576 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)C1CC1 ZINC000331506363 182071337 /nfs/dbraw/zinc/07/13/37/182071337.db2.gz RLVSYUDQMXNUDH-JTQLQIEISA-N 1 2 223.276 0.018 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371353646 182069975 /nfs/dbraw/zinc/06/99/75/182069975.db2.gz JHUCVZKRTWMFSG-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371353646 182069977 /nfs/dbraw/zinc/06/99/77/182069977.db2.gz JHUCVZKRTWMFSG-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO CN(C)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632731377 373119863 /nfs/dbraw/zinc/11/98/63/373119863.db2.gz UURHSGMSTWRGGA-UHFFFAOYSA-N 1 2 246.336 0.014 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356550280 182085410 /nfs/dbraw/zinc/08/54/10/182085410.db2.gz OJXXJGJRCLCRGB-XROYCOCOSA-N 1 2 234.255 0.573 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377463904 182085643 /nfs/dbraw/zinc/08/56/43/182085643.db2.gz HRWLLVPBXIZHQJ-SNVBAGLBSA-N 1 2 242.282 0.901 20 0 BCADLO O=C(N1CCn2c[nH+]cc2C1)C1(O)CCC1 ZINC000292074084 182083149 /nfs/dbraw/zinc/08/31/49/182083149.db2.gz LNRRCPSKGZNAME-UHFFFAOYSA-N 1 2 221.260 0.140 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCCOC1 ZINC000633034492 373256382 /nfs/dbraw/zinc/25/63/82/373256382.db2.gz NAWYWNXEPSTJGV-VIFPVBQESA-N 1 2 238.291 0.730 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCCF ZINC000633129150 373298903 /nfs/dbraw/zinc/29/89/03/373298903.db2.gz VQPVUSRBQLZALK-UHFFFAOYSA-N 1 2 214.244 0.911 20 0 BCADLO Cc1nocc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000633139242 373304350 /nfs/dbraw/zinc/30/43/50/373304350.db2.gz FMSGGPNXCHIVIB-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000172649625 182099145 /nfs/dbraw/zinc/09/91/45/182099145.db2.gz RIPCJSYDJHEUPA-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000172649625 182099147 /nfs/dbraw/zinc/09/91/47/182099147.db2.gz RIPCJSYDJHEUPA-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)O ZINC000633288215 373452271 /nfs/dbraw/zinc/45/22/71/373452271.db2.gz JYMGVVZFINYOQJ-SFYZADRCSA-N 1 2 211.265 0.461 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304875 373461890 /nfs/dbraw/zinc/46/18/90/373461890.db2.gz WVWKUQZYRRLNDC-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO Cc1cc(C)c(CNC(=O)Cc2nc[nH]n2)c[nH+]1 ZINC000633360457 373495424 /nfs/dbraw/zinc/49/54/24/373495424.db2.gz IEMLKIXKXMFQQB-UHFFFAOYSA-N 1 2 245.286 0.675 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CSC1 ZINC000633556168 373592154 /nfs/dbraw/zinc/59/21/54/373592154.db2.gz SWBPPTQMFQLSMM-SECBINFHSA-N 1 2 237.328 0.677 20 0 BCADLO C/C=C/CNC(=O)C1([NH+]2CCOCC2)CC1 ZINC000633690877 373689555 /nfs/dbraw/zinc/68/95/55/373689555.db2.gz LDGVFSWKHQMHPY-NSCUHMNNSA-N 1 2 224.304 0.544 20 0 BCADLO O=C(NCCCO)c1ccc(-n2cc[nH+]c2)nc1 ZINC000035200919 182171183 /nfs/dbraw/zinc/17/11/83/182171183.db2.gz KMFFFFSJQHHMCN-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cncnc1 ZINC000082267349 182179395 /nfs/dbraw/zinc/17/93/95/182179395.db2.gz BVPFTCDLTICMRA-UHFFFAOYSA-N 1 2 231.259 0.493 20 0 BCADLO CCC[C@@H](CCO)NC(=O)Cc1c[nH+]cn1C ZINC000633830699 373783182 /nfs/dbraw/zinc/78/31/82/373783182.db2.gz OVBWBJWUAYQQFH-JTQLQIEISA-N 1 2 239.319 0.630 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1(O)CCC1 ZINC000273205831 182176677 /nfs/dbraw/zinc/17/66/77/182176677.db2.gz JKQNAMFARNSFTR-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](CO)C2)c[nH+]1 ZINC000633838346 373801242 /nfs/dbraw/zinc/80/12/42/373801242.db2.gz GQSWAAFYZNWZGH-OCAPTIKFSA-N 1 2 209.249 0.219 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H](O)C(F)F)c[nH+]1 ZINC000633999637 373883368 /nfs/dbraw/zinc/88/33/68/373883368.db2.gz MJWFWVHEPFYCMZ-SSDOTTSWSA-N 1 2 233.218 0.464 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000247408000 182188753 /nfs/dbraw/zinc/18/87/53/182188753.db2.gz OVPUHDMDGUGILZ-SNVBAGLBSA-N 1 2 235.287 0.646 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)O1 ZINC000634020340 373901408 /nfs/dbraw/zinc/90/14/08/373901408.db2.gz MPZVYIGEPVAQHF-MXWKQRLJSA-N 1 2 237.303 0.955 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)O1 ZINC000634024609 373909963 /nfs/dbraw/zinc/90/99/63/373909963.db2.gz UPLINHXEOHLWPM-BBBLOLIVSA-N 1 2 223.276 0.565 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C(F)F ZINC000337743644 182214628 /nfs/dbraw/zinc/21/46/28/182214628.db2.gz FEOFNGFCGROKLZ-JGVFFNPUSA-N 1 2 229.230 0.901 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC(F)(F)F ZINC000043310536 182215542 /nfs/dbraw/zinc/21/55/42/182215542.db2.gz GVWVNPUVMNUZGG-UHFFFAOYSA-N 1 2 236.197 0.745 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCSCC1 ZINC000043310828 182215248 /nfs/dbraw/zinc/21/52/48/182215248.db2.gz CXYRCMIWBMAJTC-UHFFFAOYSA-N 1 2 240.332 0.642 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1(O)CCCCC1 ZINC000127965707 182215668 /nfs/dbraw/zinc/21/56/68/182215668.db2.gz SGBCMMZEWMSPDD-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccnnc1 ZINC000339586172 182216230 /nfs/dbraw/zinc/21/62/30/182216230.db2.gz AUSQPXFNKOXDMI-UHFFFAOYSA-N 1 2 217.232 0.103 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(N)CC1(F)F ZINC000634251864 374051211 /nfs/dbraw/zinc/05/12/11/374051211.db2.gz NYCWRTTYVRZGIG-APPZFPTMSA-N 1 2 244.245 0.124 20 0 BCADLO O=C(NC[C@H](O)C1CC1)c1ccc2[nH+]ccn2c1 ZINC000337678044 182232858 /nfs/dbraw/zinc/23/28/58/182232858.db2.gz YSJUTZZWNFSPFV-NSHDSACASA-N 1 2 245.282 0.835 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202088 182239770 /nfs/dbraw/zinc/23/97/70/182239770.db2.gz MJLPKGLSDWEGOK-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C(F)F ZINC000338175430 182273300 /nfs/dbraw/zinc/27/33/00/182273300.db2.gz FDOGWOOIWDFDRA-PHDIDXHHSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc(C2CC2)n[nH]1 ZINC000264959890 182273985 /nfs/dbraw/zinc/27/39/85/182273985.db2.gz AFKWYSVXNRCWAI-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCS1 ZINC000070819758 182274071 /nfs/dbraw/zinc/27/40/71/182274071.db2.gz PKBPWYCDHODONK-ZETCQYMHSA-N 1 2 211.290 0.922 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCOC1 ZINC000049341058 182268572 /nfs/dbraw/zinc/26/85/72/182268572.db2.gz STLJHEIZJWFLOE-SNVBAGLBSA-N 1 2 245.282 0.987 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1(O)CCCCC1 ZINC000267915200 182272846 /nfs/dbraw/zinc/27/28/46/182272846.db2.gz GVGPBBGZUSIOGE-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000425038278 206019311 /nfs/dbraw/zinc/01/93/11/206019311.db2.gz WGNWDLGZWHITDZ-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000425038278 206019316 /nfs/dbraw/zinc/01/93/16/206019316.db2.gz WGNWDLGZWHITDZ-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO COc1ccnc(CNCc2[nH+]ccn2C)n1 ZINC000424193256 206034022 /nfs/dbraw/zinc/03/40/22/206034022.db2.gz UDXBLJCLUGRWNW-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000437034069 206068659 /nfs/dbraw/zinc/06/86/59/206068659.db2.gz DKVKIMSKRXQUKM-RKDXNWHRSA-N 1 2 239.323 0.333 20 0 BCADLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000440464574 206078214 /nfs/dbraw/zinc/07/82/14/206078214.db2.gz MONWJHLXOXYKMJ-VIFPVBQESA-N 1 2 236.319 0.906 20 0 BCADLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(N)=O)cn1 ZINC000440464574 206078219 /nfs/dbraw/zinc/07/82/19/206078219.db2.gz MONWJHLXOXYKMJ-VIFPVBQESA-N 1 2 236.319 0.906 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000440506543 206079188 /nfs/dbraw/zinc/07/91/88/206079188.db2.gz QNLNPOQZSHSANU-IUCAKERBSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000440506543 206079190 /nfs/dbraw/zinc/07/91/90/206079190.db2.gz QNLNPOQZSHSANU-IUCAKERBSA-N 1 2 202.273 0.897 20 0 BCADLO CNc1[nH+]cnc2c1cnn2C[C@H](C)OC ZINC000194422627 206090671 /nfs/dbraw/zinc/09/06/71/206090671.db2.gz OIYABKJUTVOPHQ-ZETCQYMHSA-N 1 2 221.264 0.903 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000363037463 182312040 /nfs/dbraw/zinc/31/20/40/182312040.db2.gz GACAYENLJZONFU-MRVPVSSYSA-N 1 2 205.261 0.793 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000363037463 182312045 /nfs/dbraw/zinc/31/20/45/182312045.db2.gz GACAYENLJZONFU-MRVPVSSYSA-N 1 2 205.261 0.793 20 0 BCADLO O=C(N[C@H]1CC[C@@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000367338995 182339482 /nfs/dbraw/zinc/33/94/82/182339482.db2.gz HKFKRXKTXUOTLX-GARJFASQSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CC[C@@H]1O ZINC000167261904 206144403 /nfs/dbraw/zinc/14/44/03/206144403.db2.gz KGLGJTCTAMBPBA-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CC[C@@H]1O ZINC000167261904 206144409 /nfs/dbraw/zinc/14/44/09/206144409.db2.gz KGLGJTCTAMBPBA-SCZZXKLOSA-N 1 2 237.307 0.211 20 0 BCADLO COC(=O)COC[C@@H](C)[NH2+]CC(F)F ZINC000459546649 206134025 /nfs/dbraw/zinc/13/40/25/206134025.db2.gz NJNWIIOWCDVODJ-ZCFIWIBFSA-N 1 2 211.208 0.419 20 0 BCADLO COC1(C)CN(Cc2[nH+]cc(C)n2C)C1 ZINC000459579148 206136025 /nfs/dbraw/zinc/13/60/25/206136025.db2.gz IWSKGTAPPWXIMA-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnccc1C ZINC000353434788 170055200 /nfs/dbraw/zinc/05/52/00/170055200.db2.gz CFQFBHIZYNZVRM-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000353434788 170055201 /nfs/dbraw/zinc/05/52/01/170055201.db2.gz CFQFBHIZYNZVRM-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCC[NH2+]1 ZINC000152543160 182363001 /nfs/dbraw/zinc/36/30/01/182363001.db2.gz ODUVTYDCOWKZIQ-VIFPVBQESA-N 1 2 231.259 0.648 20 0 BCADLO O=C(Nc1cccc(-c2nnc[nH]2)c1)C1C[NH2+]C1 ZINC000363650145 182367032 /nfs/dbraw/zinc/36/70/32/182367032.db2.gz FHNOVVSSZFYRND-UHFFFAOYSA-N 1 2 243.270 0.630 20 0 BCADLO O=C(Nc1ccccn1)[C@H]1COCC[NH2+]1 ZINC000083871932 182381405 /nfs/dbraw/zinc/38/14/05/182381405.db2.gz LGCNVBRSHQAVRD-MRVPVSSYSA-N 1 2 207.233 0.009 20 0 BCADLO O=C(Nc1ccccn1)[C@@H]1CSC[NH2+]1 ZINC000019485423 182382018 /nfs/dbraw/zinc/38/20/18/182382018.db2.gz JQIRNXYMBBNOKL-ZETCQYMHSA-N 1 2 209.274 0.683 20 0 BCADLO O=C([C@@H]1C[C@@]12CCOC2)N1CCn2c[nH+]cc2C1 ZINC000358160389 182626676 /nfs/dbraw/zinc/62/66/76/182626676.db2.gz DIHLXCJJGAZREE-WCQYABFASA-N 1 2 247.298 0.652 20 0 BCADLO O=C1[C@@H]2CCCN2C(=O)N1CCn1cc[nH+]c1 ZINC000328611999 182839626 /nfs/dbraw/zinc/83/96/26/182839626.db2.gz OZBCBXZOOZMINE-VIFPVBQESA-N 1 2 234.259 0.310 20 0 BCADLO O=c1nc(C[N@@H+]2CCc3ccsc3C2)[nH][nH]1 ZINC000271713998 183010517 /nfs/dbraw/zinc/01/05/17/183010517.db2.gz PWSIPBFPOWJRBG-UHFFFAOYSA-N 1 2 236.300 0.718 20 0 BCADLO O=c1nc(C[N@H+]2CCc3ccsc3C2)[nH][nH]1 ZINC000271713998 183010521 /nfs/dbraw/zinc/01/05/21/183010521.db2.gz PWSIPBFPOWJRBG-UHFFFAOYSA-N 1 2 236.300 0.718 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328617865 183024701 /nfs/dbraw/zinc/02/47/01/183024701.db2.gz UOXYZQKWJMJMNL-RKDXNWHRSA-N 1 2 238.291 0.019 20 0 BCADLO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328617865 183024704 /nfs/dbraw/zinc/02/47/04/183024704.db2.gz UOXYZQKWJMJMNL-RKDXNWHRSA-N 1 2 238.291 0.019 20 0 BCADLO OCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366658941 183044934 /nfs/dbraw/zinc/04/49/34/183044934.db2.gz HNHJFMHBSFAXCI-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366658941 183044937 /nfs/dbraw/zinc/04/49/37/183044937.db2.gz HNHJFMHBSFAXCI-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C1CC1 ZINC000104269411 183032702 /nfs/dbraw/zinc/03/27/02/183032702.db2.gz ZTJRJYOCVMWGOB-ZACCUICWSA-N 1 2 249.318 0.496 20 0 BCADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C1CC1 ZINC000104269411 183032706 /nfs/dbraw/zinc/03/27/06/183032706.db2.gz ZTJRJYOCVMWGOB-ZACCUICWSA-N 1 2 249.318 0.496 20 0 BCADLO OCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000258917132 183060573 /nfs/dbraw/zinc/06/05/73/183060573.db2.gz IDDFHYQYYYPHSS-UHFFFAOYSA-N 1 2 222.292 0.871 20 0 BCADLO OCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000258917132 183060575 /nfs/dbraw/zinc/06/05/75/183060575.db2.gz IDDFHYQYYYPHSS-UHFFFAOYSA-N 1 2 222.292 0.871 20 0 BCADLO OCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000154559294 183075082 /nfs/dbraw/zinc/07/50/82/183075082.db2.gz GWRARRABSJKCNU-UHFFFAOYSA-N 1 2 227.333 0.253 20 0 BCADLO OCCNc1ccccc1C[NH+]1CCOCC1 ZINC000085273880 183081179 /nfs/dbraw/zinc/08/11/79/183081179.db2.gz HKHALOASJNQTKY-UHFFFAOYSA-N 1 2 236.315 0.923 20 0 BCADLO OCCOCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000361128847 183083832 /nfs/dbraw/zinc/08/38/32/183083832.db2.gz SZFKODOZQCCKRP-LLVKDONJSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000361128847 183083836 /nfs/dbraw/zinc/08/38/36/183083836.db2.gz SZFKODOZQCCKRP-LLVKDONJSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000304822147 183084668 /nfs/dbraw/zinc/08/46/68/183084668.db2.gz CRMPGFYGRZKOPO-GFCCVEGCSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000304822147 183084672 /nfs/dbraw/zinc/08/46/72/183084672.db2.gz CRMPGFYGRZKOPO-GFCCVEGCSA-N 1 2 241.287 0.662 20 0 BCADLO OCCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000110112854 183086394 /nfs/dbraw/zinc/08/63/94/183086394.db2.gz WVGHMKXCZQGJJD-UHFFFAOYSA-N 1 2 223.276 0.775 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000128390786 183087699 /nfs/dbraw/zinc/08/76/99/183087699.db2.gz GXCMJGHAYHEETQ-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000128390786 183087702 /nfs/dbraw/zinc/08/77/02/183087702.db2.gz GXCMJGHAYHEETQ-NSHDSACASA-N 1 2 225.292 0.383 20 0 BCADLO OCCOc1cncc(NCCn2cc[nH+]c2)n1 ZINC000130803404 183088460 /nfs/dbraw/zinc/08/84/60/183088460.db2.gz ZWIBCTFNUMLRDC-UHFFFAOYSA-N 1 2 249.274 0.156 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000361833664 183095220 /nfs/dbraw/zinc/09/52/20/183095220.db2.gz OTRMNCMULKYQGM-SNVBAGLBSA-N 1 2 239.344 0.776 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000361833664 183095225 /nfs/dbraw/zinc/09/52/25/183095225.db2.gz OTRMNCMULKYQGM-SNVBAGLBSA-N 1 2 239.344 0.776 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cc[nH]n1 ZINC000355075231 183095300 /nfs/dbraw/zinc/09/53/00/183095300.db2.gz APKMJQYANXZNBM-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1cc[nH]n1 ZINC000355075231 183095301 /nfs/dbraw/zinc/09/53/01/183095301.db2.gz APKMJQYANXZNBM-SNVBAGLBSA-N 1 2 227.333 0.710 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000332698999 183120797 /nfs/dbraw/zinc/12/07/97/183120797.db2.gz WWRHYIIXBLLELA-VIFPVBQESA-N 1 2 228.271 0.204 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000332698999 183120800 /nfs/dbraw/zinc/12/08/00/183120800.db2.gz WWRHYIIXBLLELA-VIFPVBQESA-N 1 2 228.271 0.204 20 0 BCADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1csnn1 ZINC000308877112 183103438 /nfs/dbraw/zinc/10/34/38/183103438.db2.gz NYNWUNZMZIMHMF-RXMQYKEDSA-N 1 2 241.238 0.941 20 0 BCADLO OC[C@@]1(F)CCC[N@H+](Cc2cncnc2)C1 ZINC000289934428 183134821 /nfs/dbraw/zinc/13/48/21/183134821.db2.gz WQZKGGRDGDDGGT-LLVKDONJSA-N 1 2 225.267 0.773 20 0 BCADLO OC[C@@]1(F)CCC[N@@H+](Cc2cncnc2)C1 ZINC000289934428 183134824 /nfs/dbraw/zinc/13/48/24/183134824.db2.gz WQZKGGRDGDDGGT-LLVKDONJSA-N 1 2 225.267 0.773 20 0 BCADLO OC[C@@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000094267726 183126724 /nfs/dbraw/zinc/12/67/24/183126724.db2.gz QKFZNKPKKCFLKK-ZDUSSCGKSA-N 1 2 237.299 0.759 20 0 BCADLO OC[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000094267726 183126725 /nfs/dbraw/zinc/12/67/25/183126725.db2.gz QKFZNKPKKCFLKK-ZDUSSCGKSA-N 1 2 237.299 0.759 20 0 BCADLO OC[C@H](O)CSc1[nH+]cc2ccccn21 ZINC000264190216 183143662 /nfs/dbraw/zinc/14/36/62/183143662.db2.gz RLJUIZVZZQHLNS-VIFPVBQESA-N 1 2 224.285 0.780 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000360491152 183129186 /nfs/dbraw/zinc/12/91/86/183129186.db2.gz MOHLUMDOTBOUKH-UWVGGRQHSA-N 1 2 238.287 0.480 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ncc(C2CC2)o1 ZINC000360491152 183129188 /nfs/dbraw/zinc/12/91/88/183129188.db2.gz MOHLUMDOTBOUKH-UWVGGRQHSA-N 1 2 238.287 0.480 20 0 BCADLO OC[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000085245552 183143739 /nfs/dbraw/zinc/14/37/39/183143739.db2.gz AJWHWSCLNBQEPU-SNVBAGLBSA-N 1 2 218.256 1.000 20 0 BCADLO CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338174721 169050742 /nfs/dbraw/zinc/05/07/42/169050742.db2.gz JBPHYYRCWGODPG-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO O[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258972515 183200931 /nfs/dbraw/zinc/20/09/31/183200931.db2.gz NWTHNCSPGGJEGA-SNVBAGLBSA-N 1 2 234.303 0.648 20 0 BCADLO O[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258972515 183200933 /nfs/dbraw/zinc/20/09/33/183200933.db2.gz NWTHNCSPGGJEGA-SNVBAGLBSA-N 1 2 234.303 0.648 20 0 BCADLO O[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000112555831 183200944 /nfs/dbraw/zinc/20/09/44/183200944.db2.gz MODIDSBARHLWFP-SECBINFHSA-N 1 2 205.261 0.925 20 0 BCADLO O[C@@H]1C[NH+](Cc2csc(C3CC3)n2)C[C@H]1O ZINC000278908984 183205965 /nfs/dbraw/zinc/20/59/65/183205965.db2.gz VUUMUJFCHVYZKG-NXEZZACHSA-N 1 2 240.328 0.558 20 0 BCADLO O[C@@H]1C[NH+](Cc2cc(F)ccc2F)C[C@H]1O ZINC000236529456 183206356 /nfs/dbraw/zinc/20/63/56/183206356.db2.gz FWQMOKWUKWXPLP-GHMZBOCLSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[NH+](Cc2cccnc2Cl)C[C@H]1O ZINC000236530411 183207091 /nfs/dbraw/zinc/20/70/91/183207091.db2.gz QUNMVCJIVZEQKO-RKDXNWHRSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263106 183221934 /nfs/dbraw/zinc/22/19/34/183221934.db2.gz RTSQFOLENDQIKY-NTSWFWBYSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@H](C[N@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263106 183221937 /nfs/dbraw/zinc/22/19/37/183221937.db2.gz RTSQFOLENDQIKY-NTSWFWBYSA-N 1 2 201.163 0.953 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1cnnn1C ZINC000092382097 169093042 /nfs/dbraw/zinc/09/30/42/169093042.db2.gz ZALRKXNVZGVQPT-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cnnn1C ZINC000092382097 169093044 /nfs/dbraw/zinc/09/30/44/169093044.db2.gz ZALRKXNVZGVQPT-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO CCCN(CC(N)=O)c1nc[nH+]c(N)c1Cl ZINC000336694498 169111185 /nfs/dbraw/zinc/11/11/85/169111185.db2.gz YCLUNAOOBJNUBV-UHFFFAOYSA-N 1 2 243.698 0.414 20 0 BCADLO CCCN(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000339411956 169112889 /nfs/dbraw/zinc/11/28/89/169112889.db2.gz XCFYLYKRMHCHMT-UHFFFAOYSA-N 1 2 243.351 0.760 20 0 BCADLO O[C@H]1C[NH+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC000334572869 183244156 /nfs/dbraw/zinc/24/41/56/183244156.db2.gz WZRFHYNAHMXAQB-YUMQZZPRSA-N 1 2 217.652 0.470 20 0 BCADLO CCCN(CC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339677275 169116413 /nfs/dbraw/zinc/11/64/13/169116413.db2.gz GSXOLVSZBQDUNL-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO O[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000277329908 183245344 /nfs/dbraw/zinc/24/53/44/183245344.db2.gz DSYHEMNDIGBXFU-TXEJJXNPSA-N 1 2 231.255 0.172 20 0 BCADLO O[C@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000267352660 183250407 /nfs/dbraw/zinc/25/04/07/183250407.db2.gz GFLGIJWWOVRLTE-MRVPVSSYSA-N 1 2 235.209 0.909 20 0 BCADLO Oc1ccc(F)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1F ZINC000294713371 183273221 /nfs/dbraw/zinc/27/32/21/183273221.db2.gz OVRLKLZNXNQAQE-UWVGGRQHSA-N 1 2 245.225 0.208 20 0 BCADLO O=c1[nH]nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000329272929 183306521 /nfs/dbraw/zinc/30/65/21/183306521.db2.gz IAENHHGHDJPRGX-SECBINFHSA-N 1 2 237.307 0.180 20 0 BCADLO O=c1[nH]nc(CN2CC[N@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000329272929 183306524 /nfs/dbraw/zinc/30/65/24/183306524.db2.gz IAENHHGHDJPRGX-SECBINFHSA-N 1 2 237.307 0.180 20 0 BCADLO CCC[N@H+](CCO)Cc1nc(COC)no1 ZINC000305795998 169166813 /nfs/dbraw/zinc/16/68/13/169166813.db2.gz DZECEGLBNWXGTJ-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc(COC)no1 ZINC000305795998 169166815 /nfs/dbraw/zinc/16/68/15/169166815.db2.gz DZECEGLBNWXGTJ-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO c1c[nH]c(C[NH+]2CCC(C3OCCO3)CC2)n1 ZINC000111214687 183323192 /nfs/dbraw/zinc/32/31/92/183323192.db2.gz STTKZPFYMJIYPJ-UHFFFAOYSA-N 1 2 237.303 0.995 20 0 BCADLO c1c[nH+]c(CNc2ccc(-n3cnnn3)cc2)[nH]1 ZINC000049714610 183324509 /nfs/dbraw/zinc/32/45/09/183324509.db2.gz IBAKJAADEYGILZ-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO c1c[nH]c(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1 ZINC000335630627 183325095 /nfs/dbraw/zinc/32/50/95/183325095.db2.gz IIUJOACQCNAXAL-VIFPVBQESA-N 1 2 217.276 0.780 20 0 BCADLO c1c[nH+]c(CN2CCO[C@@]3(CCCOC3)C2)[nH]1 ZINC000285418789 183325839 /nfs/dbraw/zinc/32/58/39/183325839.db2.gz VLQOPJCOQPRSOX-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO O=C1N=NC2CN(CCCn3cc[nH+]c3)CCN12 ZINC000354930649 183310446 /nfs/dbraw/zinc/31/04/46/183310446.db2.gz YSISPUBPKGNKDN-UHFFFAOYSA-N 1 2 248.290 0.086 20 0 BCADLO O=c1[nH]nc2n1CCN(CCCn1cc[nH+]c1)C2 ZINC000354930649 183310448 /nfs/dbraw/zinc/31/04/48/183310448.db2.gz YSISPUBPKGNKDN-UHFFFAOYSA-N 1 2 248.290 0.086 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115575658 169222906 /nfs/dbraw/zinc/22/29/06/169222906.db2.gz KJBWGEKTNZLLKJ-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115575658 169222907 /nfs/dbraw/zinc/22/29/07/169222907.db2.gz KJBWGEKTNZLLKJ-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000365847586 169223034 /nfs/dbraw/zinc/22/30/34/169223034.db2.gz NFCVAFPEKWODIF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000365847586 169223035 /nfs/dbraw/zinc/22/30/35/169223035.db2.gz NFCVAFPEKWODIF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1ncc(C)n1C ZINC000309626791 169227096 /nfs/dbraw/zinc/22/70/96/169227096.db2.gz GPHSVYDPQBXJRA-UHFFFAOYSA-N 1 2 224.308 0.344 20 0 BCADLO CCCNC(=O)CNCc1[nH+]cc(C)n1C ZINC000309626791 169227097 /nfs/dbraw/zinc/22/70/97/169227097.db2.gz GPHSVYDPQBXJRA-UHFFFAOYSA-N 1 2 224.308 0.344 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)on1 ZINC000371836084 183345140 /nfs/dbraw/zinc/34/51/40/183345140.db2.gz WWPGDCNLYAXLEM-JTQLQIEISA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)on1 ZINC000371836084 183345143 /nfs/dbraw/zinc/34/51/43/183345143.db2.gz WWPGDCNLYAXLEM-JTQLQIEISA-N 1 2 223.276 0.191 20 0 BCADLO CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105066433 169238369 /nfs/dbraw/zinc/23/83/69/169238369.db2.gz QHLFNLMUWDIVQS-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000302806090 169240726 /nfs/dbraw/zinc/24/07/26/169240726.db2.gz BPFVJCFVHWYFME-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000302806090 169240728 /nfs/dbraw/zinc/24/07/28/169240728.db2.gz BPFVJCFVHWYFME-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000302806091 169245228 /nfs/dbraw/zinc/24/52/28/169245228.db2.gz BPFVJCFVHWYFME-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000302806091 169245229 /nfs/dbraw/zinc/24/52/29/169245229.db2.gz BPFVJCFVHWYFME-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371184293 169299117 /nfs/dbraw/zinc/29/91/17/169299117.db2.gz NALMADIMTRILFV-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCNC(=O)C[C@@H]1C ZINC000371184293 169299118 /nfs/dbraw/zinc/29/91/18/169299118.db2.gz NALMADIMTRILFV-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371184292 169300131 /nfs/dbraw/zinc/30/01/31/169300131.db2.gz NALMADIMTRILFV-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCNC(=O)C[C@@H]1C ZINC000371184292 169300133 /nfs/dbraw/zinc/30/01/33/169300133.db2.gz NALMADIMTRILFV-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000360240109 171105413 /nfs/dbraw/zinc/10/54/13/171105413.db2.gz GTSFIEAFJYHOLA-SNVBAGLBSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000360240109 171105414 /nfs/dbraw/zinc/10/54/14/171105414.db2.gz GTSFIEAFJYHOLA-SNVBAGLBSA-N 1 2 214.309 0.622 20 0 BCADLO c1cn(Cc2nnc3n2CCCC3)c[nH+]1 ZINC000226319855 134360456 /nfs/dbraw/zinc/36/04/56/134360456.db2.gz FRVUPQMFPUFHQT-UHFFFAOYSA-N 1 2 203.249 0.859 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)o1 ZINC000048335527 383845958 /nfs/dbraw/zinc/84/59/58/383845958.db2.gz FGSAAEASGFPCSZ-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)o1 ZINC000048335527 383845960 /nfs/dbraw/zinc/84/59/60/383845960.db2.gz FGSAAEASGFPCSZ-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO C[N@H+](CCn1cccn1)[C@@H]1CCOC1=O ZINC000111280025 383852454 /nfs/dbraw/zinc/85/24/54/383852454.db2.gz PCAWBLSUPZQYID-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@@H]1CCOC1=O ZINC000111280025 383852459 /nfs/dbraw/zinc/85/24/59/383852459.db2.gz PCAWBLSUPZQYID-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)CC2CC2)CCO1 ZINC000523052717 259641557 /nfs/dbraw/zinc/64/15/57/259641557.db2.gz PETXIKUYDGLGHQ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)CC2CC2)CCO1 ZINC000523052717 259641559 /nfs/dbraw/zinc/64/15/59/259641559.db2.gz PETXIKUYDGLGHQ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO Cn1cc[nH+]c1CN1CCNC(=O)C1(C)C ZINC000066529601 383869196 /nfs/dbraw/zinc/86/91/96/383869196.db2.gz GLRCTPQIHZYXJP-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCn1cccn1 ZINC000066529974 383869243 /nfs/dbraw/zinc/86/92/43/383869243.db2.gz HFMZDBAJHFJWSP-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCn1cccn1 ZINC000066529974 383869252 /nfs/dbraw/zinc/86/92/52/383869252.db2.gz HFMZDBAJHFJWSP-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000305151275 383831138 /nfs/dbraw/zinc/83/11/38/383831138.db2.gz AAVHORQLUMTKAV-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000305151275 383831143 /nfs/dbraw/zinc/83/11/43/383831143.db2.gz AAVHORQLUMTKAV-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO COC(=O)CCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000112586985 383931539 /nfs/dbraw/zinc/93/15/39/383931539.db2.gz RGXRJUKMUOSNOB-UHFFFAOYSA-N 1 2 239.275 0.791 20 0 BCADLO O=C([C@@H]1COCC[NH2+]1)N1CCc2ccccc21 ZINC000088357751 383896123 /nfs/dbraw/zinc/89/61/23/383896123.db2.gz BXXBFMLKROWENY-NSHDSACASA-N 1 2 232.283 0.564 20 0 BCADLO Cc1ccc(N(C)C(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088372142 383898684 /nfs/dbraw/zinc/89/86/84/383898684.db2.gz HRXKDHVPXQVJRY-LBPRGKRZSA-N 1 2 234.299 0.946 20 0 BCADLO CC[C@@H](NC(=O)CN(C)C(C)=O)c1[nH]cc[nH+]1 ZINC000140458609 383904471 /nfs/dbraw/zinc/90/44/71/383904471.db2.gz VIBNGFZMNFIQJE-SECBINFHSA-N 1 2 238.291 0.455 20 0 BCADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000293875813 383990691 /nfs/dbraw/zinc/99/06/91/383990691.db2.gz BIMSHKSBJYIRDK-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]1O ZINC000089162944 383939656 /nfs/dbraw/zinc/93/96/56/383939656.db2.gz FHJZAUSOCWJBDI-QWRGUYRKSA-N 1 2 237.303 0.550 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](O)CC1 ZINC000293891014 384016309 /nfs/dbraw/zinc/01/63/09/384016309.db2.gz BXCCVOQNMIMBJA-SECBINFHSA-N 1 2 247.302 0.715 20 0 BCADLO Cc1nc(N[C@@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000090031904 384021514 /nfs/dbraw/zinc/02/15/14/384021514.db2.gz CDULRQUCRNDADF-MRVPVSSYSA-N 1 2 234.259 0.344 20 0 BCADLO COC[C@@H]([NH2+]Cc1cocn1)[C@@H]1CCCO1 ZINC000278624044 384049476 /nfs/dbraw/zinc/04/94/76/384049476.db2.gz JYHMUYOGSADSLU-MNOVXSKESA-N 1 2 226.276 0.958 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000075618332 384050558 /nfs/dbraw/zinc/05/05/58/384050558.db2.gz PEXWSJZBMVQGHS-QMMMGPOBSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000075618332 384050566 /nfs/dbraw/zinc/05/05/66/384050566.db2.gz PEXWSJZBMVQGHS-QMMMGPOBSA-N 1 2 209.249 0.433 20 0 BCADLO C[N@H+](CCO)Cc1nccn1C(F)F ZINC000049832228 384052380 /nfs/dbraw/zinc/05/23/80/384052380.db2.gz DVXCXZYJIRCJMM-UHFFFAOYSA-N 1 2 205.208 0.702 20 0 BCADLO C[N@@H+](CCO)Cc1nccn1C(F)F ZINC000049832228 384052391 /nfs/dbraw/zinc/05/23/91/384052391.db2.gz DVXCXZYJIRCJMM-UHFFFAOYSA-N 1 2 205.208 0.702 20 0 BCADLO CCc1cc(C(=O)NCc2[nH]cc[nH+]2)[nH]n1 ZINC000114340224 384033169 /nfs/dbraw/zinc/03/31/69/384033169.db2.gz MPLMWUQCLKRSNW-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)[C@@H]1CCCOC1 ZINC000518580774 384034972 /nfs/dbraw/zinc/03/49/72/384034972.db2.gz FVGLLDRNJWXBNJ-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)[C@@H]1CCCOC1 ZINC000518580774 384034981 /nfs/dbraw/zinc/03/49/81/384034981.db2.gz FVGLLDRNJWXBNJ-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000114898172 384058122 /nfs/dbraw/zinc/05/81/22/384058122.db2.gz XGTMEFXMBJXZAA-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000114898172 384058127 /nfs/dbraw/zinc/05/81/27/384058127.db2.gz XGTMEFXMBJXZAA-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO COC[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493704736 533029697 /nfs/dbraw/zinc/02/96/97/533029697.db2.gz HYQVUECFZODRAG-NWALNABHSA-N 1 2 239.275 0.201 20 0 BCADLO Cc1nnc(C[N@@H+](CCOCCO)C(C)C)o1 ZINC000310155543 384070922 /nfs/dbraw/zinc/07/09/22/384070922.db2.gz KEAOFZLHAPXUIG-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO Cc1nnc(C[N@H+](CCOCCO)C(C)C)o1 ZINC000310155543 384070930 /nfs/dbraw/zinc/07/09/30/384070930.db2.gz KEAOFZLHAPXUIG-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO COC(=O)CCC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050050714 384101368 /nfs/dbraw/zinc/10/13/68/384101368.db2.gz XBEDWTQIPNHKIA-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)CCC[N@H+]1CCC[C@H]1C(=O)OC ZINC000050050714 384101372 /nfs/dbraw/zinc/10/13/72/384101372.db2.gz XBEDWTQIPNHKIA-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CO ZINC000091187247 384107004 /nfs/dbraw/zinc/10/70/04/384107004.db2.gz MAQSFUJUWWJZQF-QMMMGPOBSA-N 1 2 209.249 0.892 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000050104395 384108850 /nfs/dbraw/zinc/10/88/50/384108850.db2.gz IPMKBQKXVXBXGJ-SECBINFHSA-N 1 2 237.307 0.212 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000050104395 384108856 /nfs/dbraw/zinc/10/88/56/384108856.db2.gz IPMKBQKXVXBXGJ-SECBINFHSA-N 1 2 237.307 0.212 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000050117113 384109419 /nfs/dbraw/zinc/10/94/19/384109419.db2.gz SOAFMDYBZMWVIH-VIFPVBQESA-N 1 2 216.306 0.582 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000050117113 384109423 /nfs/dbraw/zinc/10/94/23/384109423.db2.gz SOAFMDYBZMWVIH-VIFPVBQESA-N 1 2 216.306 0.582 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000091351782 384120346 /nfs/dbraw/zinc/12/03/46/384120346.db2.gz YDTIMWHPCCPOCJ-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000091351782 384120353 /nfs/dbraw/zinc/12/03/53/384120353.db2.gz YDTIMWHPCCPOCJ-SECBINFHSA-N 1 2 243.303 0.823 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ncccc2O)C1 ZINC000293741677 384123420 /nfs/dbraw/zinc/12/34/20/384123420.db2.gz OFPFEAKUVRKZFT-UHFFFAOYSA-N 1 2 235.287 0.610 20 0 BCADLO CN(Cc1cnn(C)c1)Cc1[nH+]ccn1C ZINC000071090495 384151536 /nfs/dbraw/zinc/15/15/36/384151536.db2.gz VJLUIZWVIYJROK-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1ccnc1CNc1[nH+]cnc2c1cnn2C ZINC000071140344 384152553 /nfs/dbraw/zinc/15/25/53/384152553.db2.gz MNGVQQZSIKHZLU-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000117883950 384184178 /nfs/dbraw/zinc/18/41/78/384184178.db2.gz SKXCJUVYAFJBSY-VXGBXAGGSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000117883950 384184185 /nfs/dbraw/zinc/18/41/85/384184185.db2.gz SKXCJUVYAFJBSY-VXGBXAGGSA-N 1 2 235.283 0.967 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000278799886 384202761 /nfs/dbraw/zinc/20/27/61/384202761.db2.gz OORFBSJALVEEIE-SECBINFHSA-N 1 2 225.292 0.406 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055615 384206628 /nfs/dbraw/zinc/20/66/28/384206628.db2.gz QQFPTCBBPAETIL-NSHDSACASA-N 1 2 236.319 0.675 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055615 384206631 /nfs/dbraw/zinc/20/66/31/384206631.db2.gz QQFPTCBBPAETIL-NSHDSACASA-N 1 2 236.319 0.675 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000081568083 384186993 /nfs/dbraw/zinc/18/69/93/384186993.db2.gz ULGMRNIJZAWXEB-UHFFFAOYSA-N 1 2 234.365 0.610 20 0 BCADLO Cn1nccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703384 384190268 /nfs/dbraw/zinc/19/02/68/384190268.db2.gz KKBBQBLESVQSHW-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703384 384190272 /nfs/dbraw/zinc/19/02/72/384190272.db2.gz KKBBQBLESVQSHW-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO Cc1[nH]c(CN(C)CC(=O)NC(C)C)[nH+]c1C ZINC000628122137 384191277 /nfs/dbraw/zinc/19/12/77/384191277.db2.gz LQDITQKULHEBGI-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO C[N@H+](CCCS(C)(=O)=O)Cc1cccnc1 ZINC000119057750 384230955 /nfs/dbraw/zinc/23/09/55/384230955.db2.gz USLNIEYCMAXFCJ-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO C[N@@H+](CCCS(C)(=O)=O)Cc1cccnc1 ZINC000119057750 384230960 /nfs/dbraw/zinc/23/09/60/384230960.db2.gz USLNIEYCMAXFCJ-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO Cc1cc(N[C@@H]2CCC(=O)NC2)nc[nH+]1 ZINC000082516858 384235134 /nfs/dbraw/zinc/23/51/34/384235134.db2.gz WYVOPIYGKWHDMM-MRVPVSSYSA-N 1 2 206.249 0.476 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccs1 ZINC000093441302 384238626 /nfs/dbraw/zinc/23/86/26/384238626.db2.gz ORYWWUSGILEQET-WPRPVWTQSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccs1 ZINC000093441302 384238630 /nfs/dbraw/zinc/23/86/30/384238630.db2.gz ORYWWUSGILEQET-WPRPVWTQSA-N 1 2 241.312 0.856 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)C[C@@H](CO)O1 ZINC000402891516 384221946 /nfs/dbraw/zinc/22/19/46/384221946.db2.gz FQFCDJFSLNSOBS-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)C[C@@H](CO)O1 ZINC000402891516 384221950 /nfs/dbraw/zinc/22/19/50/384221950.db2.gz FQFCDJFSLNSOBS-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351815576 384226841 /nfs/dbraw/zinc/22/68/41/384226841.db2.gz WOIYTVYHYPSMDJ-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351815576 384226850 /nfs/dbraw/zinc/22/68/50/384226850.db2.gz WOIYTVYHYPSMDJ-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nncn2C)[C@@H]1C ZINC000558693834 384248807 /nfs/dbraw/zinc/24/88/07/384248807.db2.gz VSSONLOHBVVIMY-RKDXNWHRSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nncn2C)[C@@H]1C ZINC000558693834 384248812 /nfs/dbraw/zinc/24/88/12/384248812.db2.gz VSSONLOHBVVIMY-RKDXNWHRSA-N 1 2 238.291 0.199 20 0 BCADLO CS(=O)(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000093701982 384262368 /nfs/dbraw/zinc/26/23/68/384262368.db2.gz WWESBCHYLISYMG-JTQLQIEISA-N 1 2 243.332 0.555 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000133687390 384262791 /nfs/dbraw/zinc/26/27/91/384262791.db2.gz FJUSPFWJCQQCGN-ZETCQYMHSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000133687390 384262800 /nfs/dbraw/zinc/26/28/00/384262800.db2.gz FJUSPFWJCQQCGN-ZETCQYMHSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@@H](NC(=O)c1cccc(=O)n1C)c1[nH]cc[nH+]1 ZINC000560698506 384304909 /nfs/dbraw/zinc/30/49/09/384304909.db2.gz OEWAGMFTYFCCCD-MRVPVSSYSA-N 1 2 246.270 0.599 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@H](O)C2)sc1C ZINC000295409099 384278653 /nfs/dbraw/zinc/27/86/53/384278653.db2.gz BUNLWJMTHCSHTF-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@H](O)C2)sc1C ZINC000295409099 384278654 /nfs/dbraw/zinc/27/86/54/384278654.db2.gz BUNLWJMTHCSHTF-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000305645599 384281406 /nfs/dbraw/zinc/28/14/06/384281406.db2.gz AOCVHIYRRZTSRG-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000305645599 384281420 /nfs/dbraw/zinc/28/14/20/384281420.db2.gz AOCVHIYRRZTSRG-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO CNC(=O)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000323164105 384283261 /nfs/dbraw/zinc/28/32/61/384283261.db2.gz TUDLZGJQVFYSNY-ZETCQYMHSA-N 1 2 208.265 0.722 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000300043897 384284678 /nfs/dbraw/zinc/28/46/78/384284678.db2.gz ZYEAUSYIGNHDDZ-IVZWLZJFSA-N 1 2 231.292 0.284 20 0 BCADLO Cc1nc(N2C[C@H]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000304414376 384286537 /nfs/dbraw/zinc/28/65/37/384286537.db2.gz CPJUOMFUMLRINM-RKDXNWHRSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N)nc(N2C[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000304414376 384286542 /nfs/dbraw/zinc/28/65/42/384286542.db2.gz CPJUOMFUMLRINM-RKDXNWHRSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1c[nH]c(C(C)(C)NC(=O)Cn2cccn2)[nH+]1 ZINC000569584531 384290565 /nfs/dbraw/zinc/29/05/65/384290565.db2.gz VJJACCYYTFQTRJ-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000352348625 384291704 /nfs/dbraw/zinc/29/17/04/384291704.db2.gz BVPQZAYGKIFFFK-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000352348625 384291710 /nfs/dbraw/zinc/29/17/10/384291710.db2.gz BVPQZAYGKIFFFK-QMMMGPOBSA-N 1 2 211.265 0.581 20 0 BCADLO Cn1ncc2c1nc[nH+]c2SCCO ZINC000011683994 384292659 /nfs/dbraw/zinc/29/26/59/384292659.db2.gz LXZOVKONQPJVTK-UHFFFAOYSA-N 1 2 210.262 0.448 20 0 BCADLO C[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000083219141 384293082 /nfs/dbraw/zinc/29/30/82/384293082.db2.gz XDYXTNRGJUJNLG-SECBINFHSA-N 1 2 211.265 0.018 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOCC1CC1 ZINC000083825812 384335178 /nfs/dbraw/zinc/33/51/78/384335178.db2.gz AKQCMVXKPGMXSD-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOCC1CC1 ZINC000083825812 384335184 /nfs/dbraw/zinc/33/51/84/384335184.db2.gz AKQCMVXKPGMXSD-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CCn1cnnc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000560755022 384338642 /nfs/dbraw/zinc/33/86/42/384338642.db2.gz XUQQWNFBSANCSE-UHFFFAOYSA-N 1 2 234.263 0.592 20 0 BCADLO CCn1cnnc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000560755022 384338650 /nfs/dbraw/zinc/33/86/50/384338650.db2.gz XUQQWNFBSANCSE-UHFFFAOYSA-N 1 2 234.263 0.592 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332735350 384347705 /nfs/dbraw/zinc/34/77/05/384347705.db2.gz VUFBHWJWCBSQJL-VHSXEESVSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332735350 384347710 /nfs/dbraw/zinc/34/77/10/384347710.db2.gz VUFBHWJWCBSQJL-VHSXEESVSA-N 1 2 224.308 0.643 20 0 BCADLO CCCOCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174754623 384356508 /nfs/dbraw/zinc/35/65/08/384356508.db2.gz ZFEMUVNQFGVPJX-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300357968 384357309 /nfs/dbraw/zinc/35/73/09/384357309.db2.gz YTVSLZVAWYPXIB-CIUDSAMLSA-N 1 2 215.293 0.951 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300373714 384359674 /nfs/dbraw/zinc/35/96/74/384359674.db2.gz ZCMVIFIOVOCAKU-NRPADANISA-N 1 2 201.266 0.705 20 0 BCADLO CCS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134543148 384365677 /nfs/dbraw/zinc/36/56/77/384365677.db2.gz FTJRNIXPVKKKMZ-UHFFFAOYSA-N 1 2 231.321 0.555 20 0 BCADLO CC[C@H](CCO)CNC(=O)CCn1cc[nH+]c1 ZINC000094958848 384323250 /nfs/dbraw/zinc/32/32/50/384323250.db2.gz YTMZGJPMIABNIP-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cncnc1OC ZINC000647168333 384324345 /nfs/dbraw/zinc/32/43/45/384324345.db2.gz RHNBNEHBJWMLQA-UHFFFAOYSA-N 1 2 238.291 0.101 20 0 BCADLO Cc1nc(N[C@H]2CCOC[C@H]2C)nc(N)[nH+]1 ZINC000304478802 384324706 /nfs/dbraw/zinc/32/47/06/384324706.db2.gz OFOQKYDTWMPBMD-SVRRBLITSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCOC[C@H]2C)[nH+]1 ZINC000304478802 384324708 /nfs/dbraw/zinc/32/47/08/384324708.db2.gz OFOQKYDTWMPBMD-SVRRBLITSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1csc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)n1 ZINC000352799160 384325101 /nfs/dbraw/zinc/32/51/01/384325101.db2.gz FJGDSJXYGYNDTE-BDAKNGLRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1csc(C[N@H+](C)[C@@H]2COC[C@@H]2O)n1 ZINC000352799160 384325107 /nfs/dbraw/zinc/32/51/07/384325107.db2.gz FJGDSJXYGYNDTE-BDAKNGLRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(NCC2(CCO)CC2)nc(N)[nH+]1 ZINC000304556234 384398645 /nfs/dbraw/zinc/39/86/45/384398645.db2.gz YBCHLVQBOBIBGE-UHFFFAOYSA-N 1 2 223.280 0.337 20 0 BCADLO Cc1nc(N)nc(NCC2(CCO)CC2)[nH+]1 ZINC000304556234 384398649 /nfs/dbraw/zinc/39/86/49/384398649.db2.gz YBCHLVQBOBIBGE-UHFFFAOYSA-N 1 2 223.280 0.337 20 0 BCADLO CC(C)CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000156712320 384402195 /nfs/dbraw/zinc/40/21/95/384402195.db2.gz XCFFSZUMRWLGNP-WDEREUQCSA-N 1 2 241.335 0.367 20 0 BCADLO CC(C)CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000156712320 384402200 /nfs/dbraw/zinc/40/22/00/384402200.db2.gz XCFFSZUMRWLGNP-WDEREUQCSA-N 1 2 241.335 0.367 20 0 BCADLO CC(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000156712441 384403220 /nfs/dbraw/zinc/40/32/20/384403220.db2.gz XCFFSZUMRWLGNP-MNOVXSKESA-N 1 2 241.335 0.367 20 0 BCADLO CC(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000156712441 384403229 /nfs/dbraw/zinc/40/32/29/384403229.db2.gz XCFFSZUMRWLGNP-MNOVXSKESA-N 1 2 241.335 0.367 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCN(C)C(=O)C1 ZINC000121384997 384414206 /nfs/dbraw/zinc/41/42/06/384414206.db2.gz HZLTXEGLCJEUBI-UHFFFAOYSA-N 1 2 248.286 0.696 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000300240195 384419875 /nfs/dbraw/zinc/41/98/75/384419875.db2.gz WALLTWIFSWIBJX-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000300240195 384419881 /nfs/dbraw/zinc/41/98/81/384419881.db2.gz WALLTWIFSWIBJX-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO C[N@H+](CCCS(C)(=O)=O)Cc1ccccn1 ZINC000122009653 384451637 /nfs/dbraw/zinc/45/16/37/384451637.db2.gz NQSWYLKUXDHBSO-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccccn1 ZINC000122009653 384451639 /nfs/dbraw/zinc/45/16/39/384451639.db2.gz NQSWYLKUXDHBSO-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO COC[C@@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000122045211 384453116 /nfs/dbraw/zinc/45/31/16/384453116.db2.gz GUPOMLXQCFZZMF-VIFPVBQESA-N 1 2 239.275 0.519 20 0 BCADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000147937645 384456810 /nfs/dbraw/zinc/45/68/10/384456810.db2.gz OSAFWTGNIQMKPH-SNVBAGLBSA-N 1 2 226.320 0.169 20 0 BCADLO CO[C@H](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493393536 533064541 /nfs/dbraw/zinc/06/45/41/533064541.db2.gz TYEPRRJBUYFIMW-CDAZIORVSA-N 1 2 223.276 0.964 20 0 BCADLO CCN(CC(C)(C)O)c1[nH+]cnc2c1cnn2C ZINC000078730218 384460162 /nfs/dbraw/zinc/46/01/62/384460162.db2.gz MMDGOGDKAICPTM-UHFFFAOYSA-N 1 2 249.318 0.961 20 0 BCADLO CO[C@](C)(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291521096 384464341 /nfs/dbraw/zinc/46/43/41/384464341.db2.gz RRBWWGQXLKSRSJ-LBPRGKRZSA-N 1 2 237.303 0.851 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cnn(C)c1 ZINC000647174836 384466804 /nfs/dbraw/zinc/46/68/04/384466804.db2.gz ODKAEBDUQQBLKN-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCNC(=O)C1CC1 ZINC000136139066 384482546 /nfs/dbraw/zinc/48/25/46/384482546.db2.gz SAXFXHHUYSNCIG-UHFFFAOYSA-N 1 2 222.292 0.334 20 0 BCADLO CCCCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000170366737 384507628 /nfs/dbraw/zinc/50/76/28/384507628.db2.gz DDHTZXFNIVYHPI-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO C[N@H+](CCOCCO)Cc1nc(C2CC2)no1 ZINC000306039052 384486476 /nfs/dbraw/zinc/48/64/76/384486476.db2.gz RMPDZNUHSZPQJI-UHFFFAOYSA-N 1 2 241.291 0.388 20 0 BCADLO C[N@@H+](CCOCCO)Cc1nc(C2CC2)no1 ZINC000306039052 384486479 /nfs/dbraw/zinc/48/64/79/384486479.db2.gz RMPDZNUHSZPQJI-UHFFFAOYSA-N 1 2 241.291 0.388 20 0 BCADLO CCOC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357909949 384486716 /nfs/dbraw/zinc/48/67/16/384486716.db2.gz BUUKDHNLGQOTEM-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO Cc1nc(N[C@@H]2CCCCC[C@H]2O)nc(N)[nH+]1 ZINC000302640482 384488356 /nfs/dbraw/zinc/48/83/56/384488356.db2.gz SUEAAXJBIKIHDP-RKDXNWHRSA-N 1 2 237.307 0.868 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCCC[C@H]2O)[nH+]1 ZINC000302640482 384488363 /nfs/dbraw/zinc/48/83/63/384488363.db2.gz SUEAAXJBIKIHDP-RKDXNWHRSA-N 1 2 237.307 0.868 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249160232 384492894 /nfs/dbraw/zinc/49/28/94/384492894.db2.gz ZPNRSYPXLYDPEQ-RKDXNWHRSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249160232 384492901 /nfs/dbraw/zinc/49/29/01/384492901.db2.gz ZPNRSYPXLYDPEQ-RKDXNWHRSA-N 1 2 229.276 0.290 20 0 BCADLO COC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000170968347 384536760 /nfs/dbraw/zinc/53/67/60/384536760.db2.gz MUTFORYIHBDROU-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO CCN(C)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000097603585 384535468 /nfs/dbraw/zinc/53/54/68/384535468.db2.gz ITSDKUDBNQOBNZ-UHFFFAOYSA-N 1 2 240.332 0.938 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000647335228 384517895 /nfs/dbraw/zinc/51/78/95/384517895.db2.gz LMJCKNQAVORVJO-WHGOUJPWSA-N 1 2 225.292 0.783 20 0 BCADLO COCC[N@H+](CCO)Cc1cc(C(C)=O)no1 ZINC000565607343 384521316 /nfs/dbraw/zinc/52/13/16/384521316.db2.gz QBIKECXDFDHZOT-UHFFFAOYSA-N 1 2 242.275 0.318 20 0 BCADLO COCC[N@@H+](CCO)Cc1cc(C(C)=O)no1 ZINC000565607343 384521322 /nfs/dbraw/zinc/52/13/22/384521322.db2.gz QBIKECXDFDHZOT-UHFFFAOYSA-N 1 2 242.275 0.318 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000517850040 384528334 /nfs/dbraw/zinc/52/83/34/384528334.db2.gz PQVHNDBGDIQXIE-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000517850040 384528341 /nfs/dbraw/zinc/52/83/41/384528341.db2.gz PQVHNDBGDIQXIE-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO CCC[N@H+](CCCS(N)(=O)=O)CC(F)F ZINC000170914282 384529823 /nfs/dbraw/zinc/52/98/23/384529823.db2.gz OVWRGQXZYZLRHC-UHFFFAOYSA-N 1 2 244.307 0.642 20 0 BCADLO CCC[N@@H+](CCCS(N)(=O)=O)CC(F)F ZINC000170914282 384529828 /nfs/dbraw/zinc/52/98/28/384529828.db2.gz OVWRGQXZYZLRHC-UHFFFAOYSA-N 1 2 244.307 0.642 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)nn1C ZINC000300745232 384531772 /nfs/dbraw/zinc/53/17/72/384531772.db2.gz NXTIKBUCYDDFKZ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)nn1C ZINC000300760427 384532141 /nfs/dbraw/zinc/53/21/41/384532141.db2.gz JDXKHASKWJKCQF-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)nn1C ZINC000300760427 384532147 /nfs/dbraw/zinc/53/21/47/384532147.db2.gz JDXKHASKWJKCQF-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CC[C@H](O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000123250399 384542324 /nfs/dbraw/zinc/54/23/24/384542324.db2.gz WMHCEMLNKGHUIX-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000247968458 384544459 /nfs/dbraw/zinc/54/44/59/384544459.db2.gz FEOKDRBFZSHJSV-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000247968458 384544464 /nfs/dbraw/zinc/54/44/64/384544464.db2.gz FEOKDRBFZSHJSV-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CO[C@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492840216 533076640 /nfs/dbraw/zinc/07/66/40/533076640.db2.gz MTRMFGLFQDXJSL-XRVBUDJMSA-N 1 2 223.276 0.916 20 0 BCADLO Cn1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccc1=O ZINC000561169483 384541089 /nfs/dbraw/zinc/54/10/89/384541089.db2.gz VGHSIWSXYGWBPT-UHFFFAOYSA-N 1 2 249.314 0.666 20 0 BCADLO CSCC[N@H+](C)Cc1nncn1C ZINC000138281428 384568884 /nfs/dbraw/zinc/56/88/84/384568884.db2.gz WCEWVWNCRUZYDK-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO CSCC[N@@H+](C)Cc1nncn1C ZINC000138281428 384568891 /nfs/dbraw/zinc/56/88/91/384568891.db2.gz WCEWVWNCRUZYDK-UHFFFAOYSA-N 1 2 200.311 0.610 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)N1CCCCC1 ZINC000123758255 384582615 /nfs/dbraw/zinc/58/26/15/384582615.db2.gz YKBLNEBJKHMMCY-UHFFFAOYSA-N 1 2 223.276 0.939 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000517942524 384585831 /nfs/dbraw/zinc/58/58/31/384585831.db2.gz KXWYBBTZWVMLEP-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nnsc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000517942524 384585836 /nfs/dbraw/zinc/58/58/36/384585836.db2.gz KXWYBBTZWVMLEP-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CSC)C1CC1 ZINC000336745092 384566077 /nfs/dbraw/zinc/56/60/77/384566077.db2.gz AEVVLCVQZMPSFG-RKDXNWHRSA-N 1 2 233.333 0.252 20 0 BCADLO CCCCOCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103230328 384602674 /nfs/dbraw/zinc/60/26/74/384602674.db2.gz OZYNWJFUGUQPMD-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCCCOCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103230328 384602678 /nfs/dbraw/zinc/60/26/78/384602678.db2.gz OZYNWJFUGUQPMD-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+](CC(F)F)C1CC1 ZINC000171581618 384606231 /nfs/dbraw/zinc/60/62/31/384606231.db2.gz ANJWZWHALFKASX-SNVBAGLBSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+](CC(F)F)C1CC1 ZINC000171581618 384606241 /nfs/dbraw/zinc/60/62/41/384606241.db2.gz ANJWZWHALFKASX-SNVBAGLBSA-N 1 2 245.273 0.974 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1ccon1 ZINC000172653911 384616289 /nfs/dbraw/zinc/61/62/89/384616289.db2.gz WDTARJGCUXXAKP-UHFFFAOYSA-N 1 2 225.292 0.439 20 0 BCADLO C[N@H+](CCN1CCOCC1)Cc1ccon1 ZINC000172653911 384616299 /nfs/dbraw/zinc/61/62/99/384616299.db2.gz WDTARJGCUXXAKP-UHFFFAOYSA-N 1 2 225.292 0.439 20 0 BCADLO C[N@@H+](CCN1CCOCC1)Cc1ccon1 ZINC000172653911 384616306 /nfs/dbraw/zinc/61/63/06/384616306.db2.gz WDTARJGCUXXAKP-UHFFFAOYSA-N 1 2 225.292 0.439 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccco1 ZINC000184576901 384622454 /nfs/dbraw/zinc/62/24/54/384622454.db2.gz PYTRILLTUUPNIO-VHSXEESVSA-N 1 2 238.287 0.787 20 0 BCADLO Cc1c(CNc2nc(C)[nH+]c(N)n2)cnn1C ZINC000302664080 384630319 /nfs/dbraw/zinc/63/03/19/384630319.db2.gz YVIOAMCMTCWOQY-UHFFFAOYSA-N 1 2 233.279 0.416 20 0 BCADLO Cc1c(CNc2nc(N)nc(C)[nH+]2)cnn1C ZINC000302664080 384630334 /nfs/dbraw/zinc/63/03/34/384630334.db2.gz YVIOAMCMTCWOQY-UHFFFAOYSA-N 1 2 233.279 0.416 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000111264392 384591489 /nfs/dbraw/zinc/59/14/89/384591489.db2.gz MOTIOLFSLZDUHT-VIFPVBQESA-N 1 2 238.291 0.336 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000111264392 384591493 /nfs/dbraw/zinc/59/14/93/384591493.db2.gz MOTIOLFSLZDUHT-VIFPVBQESA-N 1 2 238.291 0.336 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000042211475 384631949 /nfs/dbraw/zinc/63/19/49/384631949.db2.gz ZRMBLNIZFMIZGJ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC(C)OCCC[N@@H+]1CCNC(=O)C1 ZINC000171497284 384593824 /nfs/dbraw/zinc/59/38/24/384593824.db2.gz FQMPPAWEOPYSGJ-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CC(C)OCCC[N@H+]1CCNC(=O)C1 ZINC000171497284 384593829 /nfs/dbraw/zinc/59/38/29/384593829.db2.gz FQMPPAWEOPYSGJ-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000042211475 384631959 /nfs/dbraw/zinc/63/19/59/384631959.db2.gz ZRMBLNIZFMIZGJ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@@H]1O ZINC000235676271 384595459 /nfs/dbraw/zinc/59/54/59/384595459.db2.gz CNEDJRWQRRQBAI-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@@H]1O ZINC000235676271 384595471 /nfs/dbraw/zinc/59/54/71/384595471.db2.gz CNEDJRWQRRQBAI-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1cnc(C[NH2+]C2(C(N)=O)CC2)s1 ZINC000183820514 384597915 /nfs/dbraw/zinc/59/79/15/384597915.db2.gz ZAUCMRRBQLLNAX-UHFFFAOYSA-N 1 2 211.290 0.559 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H](C)O1 ZINC000111276024 384601241 /nfs/dbraw/zinc/60/12/41/384601241.db2.gz RMUXLJXQLMHTBH-XHNCKOQMSA-N 1 2 243.307 0.069 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H](C)O1 ZINC000111276024 384601249 /nfs/dbraw/zinc/60/12/49/384601249.db2.gz RMUXLJXQLMHTBH-XHNCKOQMSA-N 1 2 243.307 0.069 20 0 BCADLO COC[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000172887209 384632382 /nfs/dbraw/zinc/63/23/82/384632382.db2.gz YLUYQPNIYJPPJD-SNVBAGLBSA-N 1 2 225.292 0.267 20 0 BCADLO Cc1csc([C@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)n1 ZINC000309809864 384635331 /nfs/dbraw/zinc/63/53/31/384635331.db2.gz TXNKNIUOGKASSB-LURJTMIESA-N 1 2 239.304 0.714 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000162522926 384639189 /nfs/dbraw/zinc/63/91/89/384639189.db2.gz HYUQVCTXVRKHES-UHFFFAOYSA-N 1 2 224.308 0.547 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000162522926 384639196 /nfs/dbraw/zinc/63/91/96/384639196.db2.gz HYUQVCTXVRKHES-UHFFFAOYSA-N 1 2 224.308 0.547 20 0 BCADLO CC(C)c1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331677 384640426 /nfs/dbraw/zinc/64/04/26/384640426.db2.gz APYNULNYIBWCDY-AOOOYVTPSA-N 1 2 242.344 0.804 20 0 BCADLO CC(C)c1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331677 384640435 /nfs/dbraw/zinc/64/04/35/384640435.db2.gz APYNULNYIBWCDY-AOOOYVTPSA-N 1 2 242.344 0.804 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCO2)c[nH+]1 ZINC000082268150 384656498 /nfs/dbraw/zinc/65/64/98/384656498.db2.gz VWFMBIDZCGULCP-QMMMGPOBSA-N 1 2 209.249 0.627 20 0 BCADLO Cc1cnc(CC[NH2+]Cc2ccn[nH]2)nc1 ZINC000309856398 384675861 /nfs/dbraw/zinc/67/58/61/384675861.db2.gz KPKHDHPGQMRUDZ-UHFFFAOYSA-N 1 2 217.276 0.840 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000102674483 384723518 /nfs/dbraw/zinc/72/35/18/384723518.db2.gz GOQQRNOSCVROSU-VIFPVBQESA-N 1 2 243.351 0.310 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000102674483 384723523 /nfs/dbraw/zinc/72/35/23/384723523.db2.gz GOQQRNOSCVROSU-VIFPVBQESA-N 1 2 243.351 0.310 20 0 BCADLO C[C@@H](C(=O)N(C)C1CCC1)[NH+]1CCOCC1 ZINC000334687591 384678519 /nfs/dbraw/zinc/67/85/19/384678519.db2.gz JLEHMVQUNZGTQK-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C1NC[C@@H](C[N@@H+]2CCc3ncccc3C2)O1 ZINC000368331204 384681757 /nfs/dbraw/zinc/68/17/57/384681757.db2.gz NFJZLDOJIKTPJF-JTQLQIEISA-N 1 2 233.271 0.548 20 0 BCADLO O=C1NC[C@@H](C[N@H+]2CCc3ncccc3C2)O1 ZINC000368331204 384681765 /nfs/dbraw/zinc/68/17/65/384681765.db2.gz NFJZLDOJIKTPJF-JTQLQIEISA-N 1 2 233.271 0.548 20 0 BCADLO CN1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000151672403 384691456 /nfs/dbraw/zinc/69/14/56/384691456.db2.gz HHBGZZGUFKKPJP-MRVPVSSYSA-N 1 2 248.286 0.471 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1CC1)CC2 ZINC000363694723 384702330 /nfs/dbraw/zinc/70/23/30/384702330.db2.gz COUJDNRMSBGLNP-UHFFFAOYSA-N 1 2 205.261 0.944 20 0 BCADLO CO[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871269 533084927 /nfs/dbraw/zinc/08/49/27/533084927.db2.gz XCDXFLRQQYDVCU-TUUFMJSCSA-N 1 2 209.249 0.574 20 0 BCADLO COCCc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000304343716 384721285 /nfs/dbraw/zinc/72/12/85/384721285.db2.gz ZSRZHFWFALTLAV-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000304343716 384721292 /nfs/dbraw/zinc/72/12/92/384721292.db2.gz ZSRZHFWFALTLAV-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(N)=O)s1 ZINC000126099155 384732412 /nfs/dbraw/zinc/73/24/12/384732412.db2.gz YKIUAXKTEOGZCU-BQBZGAKWSA-N 1 2 213.306 0.976 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccon1)[C@@H]1CCCO1 ZINC000309960778 384737944 /nfs/dbraw/zinc/73/79/44/384737944.db2.gz LARAQMKHCWZTDZ-MNOVXSKESA-N 1 2 226.276 0.958 20 0 BCADLO COC[C@H]([NH2+]Cc1ccon1)[C@H]1CCCO1 ZINC000309960780 384738067 /nfs/dbraw/zinc/73/80/67/384738067.db2.gz LARAQMKHCWZTDZ-WDEREUQCSA-N 1 2 226.276 0.958 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)on1 ZINC000052723253 384745592 /nfs/dbraw/zinc/74/55/92/384745592.db2.gz JULMZXJWTQCXJZ-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)on1 ZINC000052723253 384745600 /nfs/dbraw/zinc/74/56/00/384745600.db2.gz JULMZXJWTQCXJZ-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000557008967 384746382 /nfs/dbraw/zinc/74/63/82/384746382.db2.gz HJMFLRFKZPNDNY-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO CC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618401403 384747916 /nfs/dbraw/zinc/74/79/16/384747916.db2.gz ZDTLDGZJEBAZCZ-MRVPVSSYSA-N 1 2 225.292 0.574 20 0 BCADLO CCn1ccnc1C[NH2+][C@H](C)C(=O)NCCF ZINC000554547963 384748267 /nfs/dbraw/zinc/74/82/67/384748267.db2.gz IUZKJERMUFVPJW-SECBINFHSA-N 1 2 242.298 0.467 20 0 BCADLO CCc1nnc(C[NH+]2CCC(C)(CO)CC2)[nH]1 ZINC000163145965 384751037 /nfs/dbraw/zinc/75/10/37/384751037.db2.gz VEUVNTBRBKACFU-UHFFFAOYSA-N 1 2 238.335 0.962 20 0 BCADLO CC[C@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000125937714 384758256 /nfs/dbraw/zinc/75/82/56/384758256.db2.gz CRFASYVQAWXXNN-NSHDSACASA-N 1 2 247.298 0.764 20 0 BCADLO CCc1cc(C(=O)NCCc2[nH]cc[nH+]2)[nH]n1 ZINC000174764368 384761131 /nfs/dbraw/zinc/76/11/31/384761131.db2.gz DEFSCQQZJNXPJX-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCOCC23CCC3)OC1=O ZINC000497147850 384780393 /nfs/dbraw/zinc/78/03/93/384780393.db2.gz NPMXLRRKUKQRSU-SNVBAGLBSA-N 1 2 240.303 0.692 20 0 BCADLO CN1C[C@H](C[N@H+]2CCOCC23CCC3)OC1=O ZINC000497147850 384780400 /nfs/dbraw/zinc/78/04/00/384780400.db2.gz NPMXLRRKUKQRSU-SNVBAGLBSA-N 1 2 240.303 0.692 20 0 BCADLO CC(C)c1nc(N2C[C@H](O)C[C@H]2CO)cc[nH+]1 ZINC000363741414 384765251 /nfs/dbraw/zinc/76/52/51/384765251.db2.gz NIPKDGUZJATQBF-VHSXEESVSA-N 1 2 237.303 0.532 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298755 384768152 /nfs/dbraw/zinc/76/81/52/384768152.db2.gz NVAZLKGGNYNFBI-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO O=S1(=O)CCN(c2cccc[nH+]2)CC1 ZINC000084927276 384769743 /nfs/dbraw/zinc/76/97/43/384769743.db2.gz GQDACRQDIJCGBF-UHFFFAOYSA-N 1 2 212.274 0.316 20 0 BCADLO CCc1cc(N)nc(SCC(=O)N(C)C)[nH+]1 ZINC000279060851 384770416 /nfs/dbraw/zinc/77/04/16/384770416.db2.gz IOHUFWZZUMFNGV-UHFFFAOYSA-N 1 2 240.332 0.802 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C)on1 ZINC000290839316 384817266 /nfs/dbraw/zinc/81/72/66/384817266.db2.gz YIOXNUDCHYOUFS-QMMMGPOBSA-N 1 2 247.320 0.183 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000103284821 384824984 /nfs/dbraw/zinc/82/49/84/384824984.db2.gz FJZNUAGEQJCFBI-CBAPKCEASA-N 1 2 238.291 0.464 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000103284821 384824989 /nfs/dbraw/zinc/82/49/89/384824989.db2.gz FJZNUAGEQJCFBI-CBAPKCEASA-N 1 2 238.291 0.464 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335490143 384825415 /nfs/dbraw/zinc/82/54/15/384825415.db2.gz BLJUBBBMFFJIAS-ZJUUUORDSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000360296526 384826461 /nfs/dbraw/zinc/82/64/61/384826461.db2.gz PPLGBOPKGJXUFR-DTWKUNHWSA-N 1 2 240.307 0.379 20 0 BCADLO CCc1cc(N)nc(S[C@H]2CCNC2=O)[nH+]1 ZINC000279109397 384827776 /nfs/dbraw/zinc/82/77/76/384827776.db2.gz RFJCMSSPDUOANR-ZETCQYMHSA-N 1 2 238.316 0.602 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000292325801 384781560 /nfs/dbraw/zinc/78/15/60/384781560.db2.gz JADVXSZNYWLTNQ-IUCAKERBSA-N 1 2 240.307 0.643 20 0 BCADLO CCC[C@@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000308537460 384791390 /nfs/dbraw/zinc/79/13/90/384791390.db2.gz SXIQCJDASHKJJZ-RKDXNWHRSA-N 1 2 203.282 0.953 20 0 BCADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000306672258 384799361 /nfs/dbraw/zinc/79/93/61/384799361.db2.gz AFKQODRDUDJMFA-HTQZYQBOSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1csnn1 ZINC000306672258 384799368 /nfs/dbraw/zinc/79/93/68/384799368.db2.gz AFKQODRDUDJMFA-HTQZYQBOSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000306672263 384799896 /nfs/dbraw/zinc/79/98/96/384799896.db2.gz AFKQODRDUDJMFA-YUMQZZPRSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1csnn1 ZINC000306672263 384799904 /nfs/dbraw/zinc/79/99/04/384799904.db2.gz AFKQODRDUDJMFA-YUMQZZPRSA-N 1 2 213.306 0.741 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361406882 384803456 /nfs/dbraw/zinc/80/34/56/384803456.db2.gz BGAKBFDWJPDSNX-HTQZYQBOSA-N 1 2 237.246 0.497 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361406882 384803466 /nfs/dbraw/zinc/80/34/66/384803466.db2.gz BGAKBFDWJPDSNX-HTQZYQBOSA-N 1 2 237.246 0.497 20 0 BCADLO C[C@@H](O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000648190775 384806335 /nfs/dbraw/zinc/80/63/35/384806335.db2.gz ZURQIMRJWXIFDE-SNVBAGLBSA-N 1 2 234.299 0.499 20 0 BCADLO COC[C@H](C)[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000363505985 384807292 /nfs/dbraw/zinc/80/72/92/384807292.db2.gz DIRBXNCVFVFWHV-AVGNSLFASA-N 1 2 242.363 0.552 20 0 BCADLO CC[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1nccs1 ZINC000310040362 384809244 /nfs/dbraw/zinc/80/92/44/384809244.db2.gz XSEGQWAQSZUGRF-LURJTMIESA-N 1 2 239.304 0.795 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1C[C@H]1C)[C@@H](C)O ZINC000308611757 384870826 /nfs/dbraw/zinc/87/08/26/384870826.db2.gz QWNWMJVOLWBQIV-LURQLKTLSA-N 1 2 201.266 0.154 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)[C@@H](C)O ZINC000308611759 384872310 /nfs/dbraw/zinc/87/23/10/384872310.db2.gz QWNWMJVOLWBQIV-UYXSQOIJSA-N 1 2 201.266 0.154 20 0 BCADLO Cn1cc[nH+]c1CN1CCC[C@@]12CCOC2=O ZINC000186735039 384873660 /nfs/dbraw/zinc/87/36/60/384873660.db2.gz ISAHVIQUBXDCLX-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](CO)COC(C)C)[nH]1 ZINC000428960951 384877503 /nfs/dbraw/zinc/87/75/03/384877503.db2.gz JXPZRGQHAWXJQV-SNVBAGLBSA-N 1 2 242.323 0.331 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](CO)COC(C)C)[nH]1 ZINC000428960951 384877508 /nfs/dbraw/zinc/87/75/08/384877508.db2.gz JXPZRGQHAWXJQV-SNVBAGLBSA-N 1 2 242.323 0.331 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)no1 ZINC000175216200 384882478 /nfs/dbraw/zinc/88/24/78/384882478.db2.gz KKOCVBNAFLJJCY-VIFPVBQESA-N 1 2 238.291 0.465 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)no1 ZINC000175216200 384882486 /nfs/dbraw/zinc/88/24/86/384882486.db2.gz KKOCVBNAFLJJCY-VIFPVBQESA-N 1 2 238.291 0.465 20 0 BCADLO CCSCC[N@H+](C)Cc1nnc[nH]1 ZINC000174824434 384842970 /nfs/dbraw/zinc/84/29/70/384842970.db2.gz DHENSLZEHNJCBH-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO CCSCC[N@@H+](C)Cc1nnc[nH]1 ZINC000174824434 384842980 /nfs/dbraw/zinc/84/29/80/384842980.db2.gz DHENSLZEHNJCBH-UHFFFAOYSA-N 1 2 200.311 0.990 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000360143808 384848142 /nfs/dbraw/zinc/84/81/42/384848142.db2.gz RIFUJTOKPKFORZ-ZJUUUORDSA-N 1 2 239.319 0.955 20 0 BCADLO Cn1ccc(C[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000112342438 384857198 /nfs/dbraw/zinc/85/71/98/384857198.db2.gz UKLVCYZJKWZQBZ-ZETCQYMHSA-N 1 2 223.198 0.433 20 0 BCADLO CCN(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000127342174 384858772 /nfs/dbraw/zinc/85/87/72/384858772.db2.gz XXZGSEPXKMQUOE-UHFFFAOYSA-N 1 2 210.281 0.924 20 0 BCADLO C[N@H+](CCCS(N)(=O)=O)Cc1nccs1 ZINC000175091859 384865089 /nfs/dbraw/zinc/86/50/89/384865089.db2.gz FHCUCZVKQOCEAC-UHFFFAOYSA-N 1 2 249.361 0.254 20 0 BCADLO C[N@@H+](CCCS(N)(=O)=O)Cc1nccs1 ZINC000175091859 384865096 /nfs/dbraw/zinc/86/50/96/384865096.db2.gz FHCUCZVKQOCEAC-UHFFFAOYSA-N 1 2 249.361 0.254 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000618402234 384866172 /nfs/dbraw/zinc/86/61/72/384866172.db2.gz UQBWLXULSLIFQO-GXSJLCMTSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@@H](CCO)NC(=O)NCc1c[nH+]cn1C ZINC000358931810 384868876 /nfs/dbraw/zinc/86/88/76/384868876.db2.gz RVXJQHXXHAGLPB-VIFPVBQESA-N 1 2 240.307 0.380 20 0 BCADLO CC(C)n1nnnc1C[NH+]1CCC(C)(O)CC1 ZINC000177324965 384956209 /nfs/dbraw/zinc/95/62/09/384956209.db2.gz CHALHUUTFIPXAX-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923019 384892996 /nfs/dbraw/zinc/89/29/96/384892996.db2.gz CHXYWCIOGOWUJA-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923019 384893002 /nfs/dbraw/zinc/89/30/02/384893002.db2.gz CHXYWCIOGOWUJA-ZJUUUORDSA-N 1 2 238.291 0.477 20 0 BCADLO CCc1cc(N)nc(S[C@H](C)C(N)=O)[nH+]1 ZINC000279122793 384894243 /nfs/dbraw/zinc/89/42/43/384894243.db2.gz URMCYJPUAGFNKT-RXMQYKEDSA-N 1 2 226.305 0.587 20 0 BCADLO COc1cnc(C(=O)Nc2cc[nH+]cc2C)nc1 ZINC000340041643 384895837 /nfs/dbraw/zinc/89/58/37/384895837.db2.gz SYQIPAIIDZQTNJ-UHFFFAOYSA-N 1 2 244.254 0.863 20 0 BCADLO C[C@H](C[N@@H+]1C[C@@H](C)OC[C@H]1C)CS(C)(=O)=O ZINC000162751576 384897695 /nfs/dbraw/zinc/89/76/95/384897695.db2.gz ZBQFUIPOUYUKSL-GMTAPVOTSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1C[C@@H](C)OC[C@H]1C)CS(C)(=O)=O ZINC000162751576 384897705 /nfs/dbraw/zinc/89/77/05/384897705.db2.gz ZBQFUIPOUYUKSL-GMTAPVOTSA-N 1 2 249.376 0.776 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528373975 384900485 /nfs/dbraw/zinc/90/04/85/384900485.db2.gz SESFVEGMTOTBJT-MRVPVSSYSA-N 1 2 225.317 0.982 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528373975 384900492 /nfs/dbraw/zinc/90/04/92/384900492.db2.gz SESFVEGMTOTBJT-MRVPVSSYSA-N 1 2 225.317 0.982 20 0 BCADLO OCC1(C[N@@H+]2Cc3cccnc3C2)COC1 ZINC000569334189 384907568 /nfs/dbraw/zinc/90/75/68/384907568.db2.gz LPJFTSIAMUIYEE-UHFFFAOYSA-N 1 2 220.272 0.406 20 0 BCADLO OCC1(C[N@H+]2Cc3cccnc3C2)COC1 ZINC000569334189 384907576 /nfs/dbraw/zinc/90/75/76/384907576.db2.gz LPJFTSIAMUIYEE-UHFFFAOYSA-N 1 2 220.272 0.406 20 0 BCADLO Cc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000301662347 384908757 /nfs/dbraw/zinc/90/87/57/384908757.db2.gz NCGPPECKVSADNI-DTWKUNHWSA-N 1 2 220.276 0.851 20 0 BCADLO COC(=O)N1CC(Nc2cc(C)[nH+]cn2)C1 ZINC000301750464 384917633 /nfs/dbraw/zinc/91/76/33/384917633.db2.gz IDNURPQUFFPSDL-UHFFFAOYSA-N 1 2 222.248 0.648 20 0 BCADLO Cc1nnc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000301794176 384921849 /nfs/dbraw/zinc/92/18/49/384921849.db2.gz XWSFIFBOXCUTBR-VXNVDRBHSA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nnc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000301794176 384921855 /nfs/dbraw/zinc/92/18/55/384921855.db2.gz XWSFIFBOXCUTBR-VXNVDRBHSA-N 1 2 242.348 0.978 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000175614081 384933324 /nfs/dbraw/zinc/93/33/24/384933324.db2.gz MQFQBRJMZHXGTM-SNVBAGLBSA-N 1 2 240.307 0.199 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367615140 384933959 /nfs/dbraw/zinc/93/39/59/384933959.db2.gz KAKFWODXTHZLNA-MWLCHTKSSA-N 1 2 239.319 0.774 20 0 BCADLO Cc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000301839711 384934782 /nfs/dbraw/zinc/93/47/82/384934782.db2.gz OJUMTPXIJVJDLN-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BCADLO Cc1cnc(NC[C@@H]2CN3CC[NH+]2CC3)nc1 ZINC000301839711 384934793 /nfs/dbraw/zinc/93/47/93/384934793.db2.gz OJUMTPXIJVJDLN-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BCADLO COc1cc[nH+]c(CN(C)CC(=O)N(C)C)c1 ZINC000106933458 384944363 /nfs/dbraw/zinc/94/43/63/384944363.db2.gz QCQCFJJGOSMZAR-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO CCCC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000310305443 384967941 /nfs/dbraw/zinc/96/79/41/384967941.db2.gz RNWUVZRFBQRNSF-UHFFFAOYSA-N 1 2 240.347 0.703 20 0 BCADLO O=C(Nc1nncs1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557481548 384970786 /nfs/dbraw/zinc/97/07/86/384970786.db2.gz MRBUENMUWKYEPN-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000302143106 384975072 /nfs/dbraw/zinc/97/50/72/384975072.db2.gz HZPISYYWAXSWKW-LBPRGKRZSA-N 1 2 247.346 0.505 20 0 BCADLO CN1CC[NH+](CCCSc2c[nH]nn2)CC1 ZINC000130956193 384979418 /nfs/dbraw/zinc/97/94/18/384979418.db2.gz QRLBKAREYFKOSC-UHFFFAOYSA-N 1 2 241.364 0.534 20 0 BCADLO CN1CC[NH+](CCCSc2cn[nH]n2)CC1 ZINC000130956193 384979427 /nfs/dbraw/zinc/97/94/27/384979427.db2.gz QRLBKAREYFKOSC-UHFFFAOYSA-N 1 2 241.364 0.534 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175950556 384985990 /nfs/dbraw/zinc/98/59/90/384985990.db2.gz VXSZHQNYUSDZTC-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1[nH]ccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175950556 384985994 /nfs/dbraw/zinc/98/59/94/384985994.db2.gz VXSZHQNYUSDZTC-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)sc1C ZINC000235943909 384987060 /nfs/dbraw/zinc/98/70/60/384987060.db2.gz QBSWPSUOZDNTJB-RKDXNWHRSA-N 1 2 228.317 0.297 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361588293 384996397 /nfs/dbraw/zinc/99/63/97/384996397.db2.gz LZUGFPAJBBHKEC-JTQLQIEISA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361588293 384996404 /nfs/dbraw/zinc/99/64/04/384996404.db2.gz LZUGFPAJBBHKEC-JTQLQIEISA-N 1 2 232.291 0.459 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N(C)C1CC1 ZINC000067457384 385008765 /nfs/dbraw/zinc/00/87/65/385008765.db2.gz NMYHXXBFXOAVNK-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N(C)C1CC1 ZINC000067457384 385008778 /nfs/dbraw/zinc/00/87/78/385008778.db2.gz NMYHXXBFXOAVNK-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331855 385010043 /nfs/dbraw/zinc/01/00/43/385010043.db2.gz LRWSSQKWKOIRGU-AOOOYVTPSA-N 1 2 242.344 0.633 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331855 385010050 /nfs/dbraw/zinc/01/00/50/385010050.db2.gz LRWSSQKWKOIRGU-AOOOYVTPSA-N 1 2 242.344 0.633 20 0 BCADLO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1nnc[nH]1 ZINC000226408285 385012217 /nfs/dbraw/zinc/01/22/17/385012217.db2.gz NTVMFKIFTBJEOK-PSASIEDQSA-N 1 2 245.286 0.682 20 0 BCADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358504 385018435 /nfs/dbraw/zinc/01/84/35/385018435.db2.gz GWJUBQJBWSZVBL-FKTZTGRPSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@H](C)C[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358504 385018448 /nfs/dbraw/zinc/01/84/48/385018448.db2.gz GWJUBQJBWSZVBL-FKTZTGRPSA-N 1 2 241.291 0.521 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)Cc1ccco1 ZINC000107297616 384963078 /nfs/dbraw/zinc/96/30/78/384963078.db2.gz NQTFEPRNYYNFLV-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccco1 ZINC000107297616 384963083 /nfs/dbraw/zinc/96/30/83/384963083.db2.gz NQTFEPRNYYNFLV-UHFFFAOYSA-N 1 2 232.305 0.261 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)CC2(CCC2)O1 ZINC000566184811 385058190 /nfs/dbraw/zinc/05/81/90/385058190.db2.gz OUTCSHGQPGWKRI-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC2(CCC2)O1 ZINC000566184811 385058195 /nfs/dbraw/zinc/05/81/95/385058195.db2.gz OUTCSHGQPGWKRI-SNVBAGLBSA-N 1 2 236.319 0.959 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC000177607159 385061551 /nfs/dbraw/zinc/06/15/51/385061551.db2.gz AFOXBJMXQOPBTR-NWDGAFQWSA-N 1 2 238.331 0.481 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@H]1C1CC1 ZINC000177607135 385062453 /nfs/dbraw/zinc/06/24/53/385062453.db2.gz AFOXBJMXQOPBTR-RYUDHWBXSA-N 1 2 238.331 0.481 20 0 BCADLO Cc1nc(C(=O)N2CCn3c[nH+]cc3C2)co1 ZINC000642897660 385065038 /nfs/dbraw/zinc/06/50/38/385065038.db2.gz LQMBJEPUBHUDGM-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@H](C)C2)o1 ZINC000407947802 385084707 /nfs/dbraw/zinc/08/47/07/385084707.db2.gz BZQYIDPTOAKDIG-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000407947802 385084712 /nfs/dbraw/zinc/08/47/12/385084712.db2.gz BZQYIDPTOAKDIG-MRVPVSSYSA-N 1 2 211.265 0.846 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000128844102 385079268 /nfs/dbraw/zinc/07/92/68/385079268.db2.gz YSYMSELUFYDLFW-YUMQZZPRSA-N 1 2 226.280 0.062 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000336681961 385081447 /nfs/dbraw/zinc/08/14/47/385081447.db2.gz YIHLGYJOGGWEQQ-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000336681961 385081450 /nfs/dbraw/zinc/08/14/50/385081450.db2.gz YIHLGYJOGGWEQQ-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO COC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339730921 385024056 /nfs/dbraw/zinc/02/40/56/385024056.db2.gz VEKLRMJLCLIGSJ-LLVKDONJSA-N 1 2 229.320 0.936 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)o1 ZINC000058888527 385032474 /nfs/dbraw/zinc/03/24/74/385032474.db2.gz ZVWYHDNUZHDZNO-MRVPVSSYSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(N)=O)o1 ZINC000058888527 385032481 /nfs/dbraw/zinc/03/24/81/385032481.db2.gz ZVWYHDNUZHDZNO-MRVPVSSYSA-N 1 2 239.275 0.603 20 0 BCADLO C[C@H](CO)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000086624428 385033277 /nfs/dbraw/zinc/03/32/77/385033277.db2.gz FEFDGMFDVWNTMT-JTQLQIEISA-N 1 2 247.298 0.621 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[C@@H]2F)CCO1 ZINC000564851217 385034611 /nfs/dbraw/zinc/03/46/11/385034611.db2.gz HXTAECACOBFWRR-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H]2F)CCO1 ZINC000564851217 385034619 /nfs/dbraw/zinc/03/46/19/385034619.db2.gz HXTAECACOBFWRR-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO CC(C)c1nc(N2CCO[C@H](CO)C2)cc[nH+]1 ZINC000408366454 385034806 /nfs/dbraw/zinc/03/48/06/385034806.db2.gz OKPRNZDHOJOWLF-JTQLQIEISA-N 1 2 237.303 0.798 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000312988259 385042212 /nfs/dbraw/zinc/04/22/12/385042212.db2.gz BOPCOOQAVSSWDF-YUMQZZPRSA-N 1 2 201.266 0.563 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000115576225 385042421 /nfs/dbraw/zinc/04/24/21/385042421.db2.gz PTICCIUSQGAGPQ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000115576225 385042425 /nfs/dbraw/zinc/04/24/25/385042425.db2.gz PTICCIUSQGAGPQ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC000310412558 385045483 /nfs/dbraw/zinc/04/54/83/385045483.db2.gz MPBSCFMZKXJBJU-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC000310412558 385045489 /nfs/dbraw/zinc/04/54/89/385045489.db2.gz MPBSCFMZKXJBJU-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO Cc1nc(N2C[C@H](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000308790183 385108111 /nfs/dbraw/zinc/10/81/11/385108111.db2.gz CPXWMXGOGORMMC-RQJHMYQMSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)C[C@@H]2C)[nH+]1 ZINC000308790183 385108119 /nfs/dbraw/zinc/10/81/19/385108119.db2.gz CPXWMXGOGORMMC-RQJHMYQMSA-N 1 2 207.281 0.997 20 0 BCADLO CCc1noc(C[N@@H+](CC)[C@H](C)CO)n1 ZINC000644706740 385125142 /nfs/dbraw/zinc/12/51/42/385125142.db2.gz ACDWRACVIROAIF-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@H+](CC)[C@H](C)CO)n1 ZINC000644706740 385125147 /nfs/dbraw/zinc/12/51/47/385125147.db2.gz ACDWRACVIROAIF-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CC(C)Cn1ncnc1C[NH+]1CCC(O)CC1 ZINC000088619484 385128621 /nfs/dbraw/zinc/12/86/21/385128621.db2.gz NHVZQAMUFNAYRA-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000061708973 385133996 /nfs/dbraw/zinc/13/39/96/385133996.db2.gz RPHIBDGMEHOKRN-VIFPVBQESA-N 1 2 241.316 0.668 20 0 BCADLO CC(=O)Nc1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000061708973 385134006 /nfs/dbraw/zinc/13/40/06/385134006.db2.gz RPHIBDGMEHOKRN-VIFPVBQESA-N 1 2 241.316 0.668 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOCC(F)F ZINC000361645660 385087787 /nfs/dbraw/zinc/08/77/87/385087787.db2.gz SMWZEFMNFDXRBN-ZETCQYMHSA-N 1 2 225.235 0.761 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC(F)F ZINC000361645660 385087795 /nfs/dbraw/zinc/08/77/95/385087795.db2.gz SMWZEFMNFDXRBN-ZETCQYMHSA-N 1 2 225.235 0.761 20 0 BCADLO COC(=O)c1ccc([C@H](C)[N@H+](C)CC(N)=O)o1 ZINC000108806149 385087919 /nfs/dbraw/zinc/08/79/19/385087919.db2.gz CJAZJTHHLIBZFS-ZETCQYMHSA-N 1 2 240.259 0.544 20 0 BCADLO COC(=O)c1ccc([C@H](C)[N@@H+](C)CC(N)=O)o1 ZINC000108806149 385087924 /nfs/dbraw/zinc/08/79/24/385087924.db2.gz CJAZJTHHLIBZFS-ZETCQYMHSA-N 1 2 240.259 0.544 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000557670356 385088437 /nfs/dbraw/zinc/08/84/37/385088437.db2.gz WDDCJVMBGGJICA-XIZWVBILSA-N 1 2 246.376 0.210 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000644679988 385092521 /nfs/dbraw/zinc/09/25/21/385092521.db2.gz GRDIFNURYHAPGB-UHFFFAOYSA-N 1 2 236.319 0.325 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000644679988 385092526 /nfs/dbraw/zinc/09/25/26/385092526.db2.gz GRDIFNURYHAPGB-UHFFFAOYSA-N 1 2 236.319 0.325 20 0 BCADLO CCC1(O)CC[NH+](Cc2cn(C)nn2)CC1 ZINC000407948717 385094981 /nfs/dbraw/zinc/09/49/81/385094981.db2.gz QOZDOQBVMSSYTQ-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)CCS1(=O)=O ZINC000407948784 385095734 /nfs/dbraw/zinc/09/57/34/385095734.db2.gz KNXUPNDCLDJTNV-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO CCc1nnc(C[NH+]2CCC(C)(O)CC2)n1C ZINC000407949427 385101916 /nfs/dbraw/zinc/10/19/16/385101916.db2.gz IAHHVBLFJXOZAA-UHFFFAOYSA-N 1 2 238.335 0.724 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000644685340 385105991 /nfs/dbraw/zinc/10/59/91/385105991.db2.gz YBKPLODTYNYGKA-SECBINFHSA-N 1 2 236.319 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000644685340 385105994 /nfs/dbraw/zinc/10/59/94/385105994.db2.gz YBKPLODTYNYGKA-SECBINFHSA-N 1 2 236.319 0.885 20 0 BCADLO Cc1cncc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000189771199 385184853 /nfs/dbraw/zinc/18/48/53/385184853.db2.gz CBPHZBLGFCOELT-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1cncc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000189771199 385184856 /nfs/dbraw/zinc/18/48/56/385184856.db2.gz CBPHZBLGFCOELT-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000177128709 385185314 /nfs/dbraw/zinc/18/53/14/385185314.db2.gz MRPYDZWJQLZUQV-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048482 385185571 /nfs/dbraw/zinc/18/55/71/385185571.db2.gz YGSRTAQIHHFARL-ZDCRXTMVSA-N 1 2 242.319 0.129 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048482 385185576 /nfs/dbraw/zinc/18/55/76/385185576.db2.gz YGSRTAQIHHFARL-ZDCRXTMVSA-N 1 2 242.319 0.129 20 0 BCADLO COC(=O)C[N@H+](CCC(C)(C)O)C1CC1 ZINC000360467892 385185933 /nfs/dbraw/zinc/18/59/33/385185933.db2.gz LFHLESJHSBBREV-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO COC(=O)C[N@@H+](CCC(C)(C)O)C1CC1 ZINC000360467892 385185937 /nfs/dbraw/zinc/18/59/37/385185937.db2.gz LFHLESJHSBBREV-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1nnc[nH]1 ZINC000177138961 385186663 /nfs/dbraw/zinc/18/66/63/385186663.db2.gz PWBFALBZBRZCTQ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1nnc[nH]1 ZINC000177138961 385186669 /nfs/dbraw/zinc/18/66/69/385186669.db2.gz PWBFALBZBRZCTQ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000189827098 385187937 /nfs/dbraw/zinc/18/79/37/385187937.db2.gz LOMRXOQPGOIEID-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000189827098 385187946 /nfs/dbraw/zinc/18/79/46/385187946.db2.gz LOMRXOQPGOIEID-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO COC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000306759035 385188433 /nfs/dbraw/zinc/18/84/33/385188433.db2.gz VZTFMUWQXZFJMK-UHFFFAOYSA-N 1 2 213.277 0.804 20 0 BCADLO COC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000306759035 385188438 /nfs/dbraw/zinc/18/84/38/385188438.db2.gz VZTFMUWQXZFJMK-UHFFFAOYSA-N 1 2 213.277 0.804 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000305083268 385194804 /nfs/dbraw/zinc/19/48/04/385194804.db2.gz MZKMNIJSSUKJCS-QMMMGPOBSA-N 1 2 208.265 0.016 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000305083268 385194812 /nfs/dbraw/zinc/19/48/12/385194812.db2.gz MZKMNIJSSUKJCS-QMMMGPOBSA-N 1 2 208.265 0.016 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)nc1 ZINC000157309182 385148964 /nfs/dbraw/zinc/14/89/64/385148964.db2.gz IEYBKCKVMBDDKA-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)nc1 ZINC000157309182 385148968 /nfs/dbraw/zinc/14/89/68/385148968.db2.gz IEYBKCKVMBDDKA-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000177976824 385154688 /nfs/dbraw/zinc/15/46/88/385154688.db2.gz UVHNKWJJYHCLOY-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000177976824 385154695 /nfs/dbraw/zinc/15/46/95/385154695.db2.gz UVHNKWJJYHCLOY-JTQLQIEISA-N 1 2 211.265 0.589 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC=C(C)C ZINC000189579062 385166004 /nfs/dbraw/zinc/16/60/04/385166004.db2.gz QAOUHPASSXGARI-WDEREUQCSA-N 1 2 227.304 0.951 20 0 BCADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC=C(C)C ZINC000189579062 385166011 /nfs/dbraw/zinc/16/60/11/385166011.db2.gz QAOUHPASSXGARI-WDEREUQCSA-N 1 2 227.304 0.951 20 0 BCADLO O[C@H]1C[NH+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC000236591772 385175867 /nfs/dbraw/zinc/17/58/67/385175867.db2.gz ZLQCBMFNFLSILZ-UWVGGRQHSA-N 1 2 234.255 0.365 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOCC(F)F ZINC000308846119 385208145 /nfs/dbraw/zinc/20/81/45/385208145.db2.gz AHEXTXFYKSXPCO-UHFFFAOYSA-N 1 2 225.235 0.809 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](C)CO ZINC000644786007 385209333 /nfs/dbraw/zinc/20/93/33/385209333.db2.gz TYTNJLPMFMJSOY-JTQLQIEISA-N 1 2 226.324 0.919 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)C[C@H](C)CO ZINC000644786007 385209341 /nfs/dbraw/zinc/20/93/41/385209341.db2.gz TYTNJLPMFMJSOY-JTQLQIEISA-N 1 2 226.324 0.919 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccon1 ZINC000308837104 385211148 /nfs/dbraw/zinc/21/11/48/385211148.db2.gz IPZVUGIGNCKNRZ-JGVFFNPUSA-N 1 2 232.305 0.758 20 0 BCADLO C([NH2+][C@@H]1CCOC1)c1noc(C2CC2)n1 ZINC000308847309 385211377 /nfs/dbraw/zinc/21/13/77/385211377.db2.gz MUNMTHDHXWTCDD-MRVPVSSYSA-N 1 2 209.249 0.826 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000107823570 385213895 /nfs/dbraw/zinc/21/38/95/385213895.db2.gz MKTWTPJNIPBTTH-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000107823570 385213900 /nfs/dbraw/zinc/21/39/00/385213900.db2.gz MKTWTPJNIPBTTH-QMMMGPOBSA-N 1 2 225.248 0.373 20 0 BCADLO CCc1nnc(C[NH+]2CCC(C(N)=O)CC2)[nH]1 ZINC000157539771 385214699 /nfs/dbraw/zinc/21/46/99/385214699.db2.gz OUDFDJZISKYEJN-UHFFFAOYSA-N 1 2 237.307 0.064 20 0 BCADLO CCN(CC(=O)OC)Cc1c[nH+]cn1C ZINC000090233463 385218793 /nfs/dbraw/zinc/21/87/93/385218793.db2.gz BJSQUEHYFHQAHH-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000407970548 385219733 /nfs/dbraw/zinc/21/97/33/385219733.db2.gz BQBCKZQUKYWDDX-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC000407970548 385219739 /nfs/dbraw/zinc/21/97/39/385219739.db2.gz BQBCKZQUKYWDDX-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOc2ccccc2C1 ZINC000058003148 385223048 /nfs/dbraw/zinc/22/30/48/385223048.db2.gz ZYNKPUVBYUFDPO-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOc2ccccc2C1 ZINC000058003148 385223055 /nfs/dbraw/zinc/22/30/55/385223055.db2.gz ZYNKPUVBYUFDPO-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000292108414 385225015 /nfs/dbraw/zinc/22/50/15/385225015.db2.gz WBTIKLLXTGZXTR-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCOC1 ZINC000290700227 385256757 /nfs/dbraw/zinc/25/67/57/385256757.db2.gz JWMNAEZCUHHWAR-SECBINFHSA-N 1 2 238.291 0.398 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000647076521 385234943 /nfs/dbraw/zinc/23/49/43/385234943.db2.gz ZLEKFPCUTXGMPC-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO C[C@H](CNc1nncs1)[NH+]1CCOCC1 ZINC000308888101 385242516 /nfs/dbraw/zinc/24/25/16/385242516.db2.gz WNYWGFOSHICNJX-MRVPVSSYSA-N 1 2 228.321 0.671 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2noc(C)n2)C1 ZINC000177460084 385244991 /nfs/dbraw/zinc/24/49/91/385244991.db2.gz UMWUZFZPYHLMET-LLVKDONJSA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000177460084 385244994 /nfs/dbraw/zinc/24/49/94/385244994.db2.gz UMWUZFZPYHLMET-LLVKDONJSA-N 1 2 239.275 0.763 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000364201759 385249072 /nfs/dbraw/zinc/24/90/72/385249072.db2.gz FKTMGAKOOVHZIF-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCC2(CC2)C1 ZINC000364201759 385249077 /nfs/dbraw/zinc/24/90/77/385249077.db2.gz FKTMGAKOOVHZIF-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO COC[C@@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000290667351 385254736 /nfs/dbraw/zinc/25/47/36/385254736.db2.gz HRZGJELDZGWEEB-VIFPVBQESA-N 1 2 240.307 0.502 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1cccnc1 ZINC000129962893 385204307 /nfs/dbraw/zinc/20/43/07/385204307.db2.gz IZIDCFLGWGNQKC-QMMMGPOBSA-N 1 2 236.275 0.097 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cccnc1 ZINC000129962893 385204313 /nfs/dbraw/zinc/20/43/13/385204313.db2.gz IZIDCFLGWGNQKC-QMMMGPOBSA-N 1 2 236.275 0.097 20 0 BCADLO Cc1cnc(N[C@H](C)C[NH+]2CCOCC2)nc1 ZINC000063048806 385204601 /nfs/dbraw/zinc/20/46/01/385204601.db2.gz VDLUZEXWIAWXPC-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cn1ccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000589474199 385307325 /nfs/dbraw/zinc/30/73/25/385307325.db2.gz OAHCEFLXXMECSU-UHFFFAOYSA-N 1 2 234.303 0.340 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000407991743 385324207 /nfs/dbraw/zinc/32/42/07/385324207.db2.gz XSRWWKJSLZSEIF-WCBMZHEXSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000407991743 385324212 /nfs/dbraw/zinc/32/42/12/385324212.db2.gz XSRWWKJSLZSEIF-WCBMZHEXSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC ZINC000313060544 385311161 /nfs/dbraw/zinc/31/11/61/385311161.db2.gz WBYVGLDURFRDMZ-RKDXNWHRSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@H](N1CC[NH+](CCO)CC1)C(F)(F)F ZINC000178742457 385324341 /nfs/dbraw/zinc/32/43/41/385324341.db2.gz YMTZZIWBEBKKEC-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2ccccc2n1 ZINC000191703095 385315111 /nfs/dbraw/zinc/31/51/11/385315111.db2.gz ACAZVHKVTBOUQR-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2ccccc2n1 ZINC000191703095 385315114 /nfs/dbraw/zinc/31/51/14/385315114.db2.gz ACAZVHKVTBOUQR-UHFFFAOYSA-N 1 2 232.287 0.642 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H](O)CC)C(=O)OC ZINC000308967417 385318736 /nfs/dbraw/zinc/31/87/36/385318736.db2.gz WSJQNXHQUCJWBV-UTLUCORTSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H](O)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000065521867 385319673 /nfs/dbraw/zinc/31/96/73/385319673.db2.gz UWLDRWOUVAMSAW-VIFPVBQESA-N 1 2 236.319 0.282 20 0 BCADLO C[C@H](O)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000065521867 385319679 /nfs/dbraw/zinc/31/96/79/385319679.db2.gz UWLDRWOUVAMSAW-VIFPVBQESA-N 1 2 236.319 0.282 20 0 BCADLO Cc1cc(N2CC(S(C)(=O)=O)C2)nc[nH+]1 ZINC000407974612 385258995 /nfs/dbraw/zinc/25/89/95/385258995.db2.gz GAPLWGMBMOHOMJ-UHFFFAOYSA-N 1 2 227.289 0.018 20 0 BCADLO O=C([C@@H]1CCCCO1)N1CCn2c[nH+]cc2C1 ZINC000290893446 385259950 /nfs/dbraw/zinc/25/99/50/385259950.db2.gz GDRUQGWEDNJOIC-NSHDSACASA-N 1 2 235.287 0.794 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000130709388 385279372 /nfs/dbraw/zinc/27/93/72/385279372.db2.gz OZPWJBUAIKNFDA-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000130709388 385279376 /nfs/dbraw/zinc/27/93/76/385279376.db2.gz OZPWJBUAIKNFDA-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO OCc1ccc(NCc2cc[nH]n2)[nH+]c1 ZINC000308906092 385282208 /nfs/dbraw/zinc/28/22/08/385282208.db2.gz NRDZSNJRJANGCI-UHFFFAOYSA-N 1 2 204.233 0.909 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc[nH]n1 ZINC000130880471 385290536 /nfs/dbraw/zinc/29/05/36/385290536.db2.gz NNAZVSLYHSKATK-XLKFXECMSA-N 1 2 215.322 0.609 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc[nH]n1 ZINC000130880471 385290541 /nfs/dbraw/zinc/29/05/41/385290541.db2.gz NNAZVSLYHSKATK-XLKFXECMSA-N 1 2 215.322 0.609 20 0 BCADLO COC(=O)CCCC(=O)NCCn1cc[nH+]c1 ZINC000130960892 385296521 /nfs/dbraw/zinc/29/65/21/385296521.db2.gz WRUOCIHJJUGDJD-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO COC[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000308942977 385299618 /nfs/dbraw/zinc/29/96/18/385299618.db2.gz MSUCXVUHONVFBP-SECBINFHSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(c1ccnnc1)N1CC[NH+](C2CC2)CC1 ZINC000131023623 385301521 /nfs/dbraw/zinc/30/15/21/385301521.db2.gz YACRGKBVVXMWSK-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000407993922 385330524 /nfs/dbraw/zinc/33/05/24/385330524.db2.gz WNOXBFICAUNHBK-SNVBAGLBSA-N 1 2 241.335 0.051 20 0 BCADLO NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000158046299 385330802 /nfs/dbraw/zinc/33/08/02/385330802.db2.gz BYKVSZZPGGYHCY-SECBINFHSA-N 1 2 220.276 0.719 20 0 BCADLO CC(=O)NC1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000191903171 385331506 /nfs/dbraw/zinc/33/15/06/385331506.db2.gz YBVHCNJYMJLRKO-UHFFFAOYSA-N 1 2 246.314 0.987 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000308987725 385334436 /nfs/dbraw/zinc/33/44/36/385334436.db2.gz MNLXXBJLZMQQPG-VXNVDRBHSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000308987725 385334437 /nfs/dbraw/zinc/33/44/37/385334437.db2.gz MNLXXBJLZMQQPG-VXNVDRBHSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000308987623 385334793 /nfs/dbraw/zinc/33/47/93/385334793.db2.gz MNLXXBJLZMQQPG-CBAPKCEASA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000308987623 385334798 /nfs/dbraw/zinc/33/47/98/385334798.db2.gz MNLXXBJLZMQQPG-CBAPKCEASA-N 1 2 210.281 0.316 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cocn1 ZINC000191950847 385337798 /nfs/dbraw/zinc/33/77/98/385337798.db2.gz QWYZMSPQSMUUPK-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cocn1 ZINC000191950847 385337801 /nfs/dbraw/zinc/33/78/01/385337801.db2.gz QWYZMSPQSMUUPK-UHFFFAOYSA-N 1 2 225.292 0.879 20 0 BCADLO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000191998489 385339493 /nfs/dbraw/zinc/33/94/93/385339493.db2.gz FAQQBKHUPALDGZ-RNFRBKRXSA-N 1 2 233.275 0.880 20 0 BCADLO Cn1cnc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000178152526 385340406 /nfs/dbraw/zinc/34/04/06/385340406.db2.gz IUFMZGDAENVVDJ-UHFFFAOYSA-N 1 2 233.275 0.437 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000178188981 385343970 /nfs/dbraw/zinc/34/39/70/385343970.db2.gz OHZGLGWEMHBUGG-OLZOCXBDSA-N 1 2 246.310 0.948 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000178188981 385343976 /nfs/dbraw/zinc/34/39/76/385343976.db2.gz OHZGLGWEMHBUGG-OLZOCXBDSA-N 1 2 246.310 0.948 20 0 BCADLO CO[C@@H]1C[NH+]([C@H](C)c2nnc(C)[nH]2)C[C@H]1OC ZINC000408464410 385368240 /nfs/dbraw/zinc/36/82/40/385368240.db2.gz GEHIZINDWLFZBI-SZEHBUNVSA-N 1 2 240.307 0.520 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000192774144 385371030 /nfs/dbraw/zinc/37/10/30/385371030.db2.gz YZEBJFUNJQVITO-NSHDSACASA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000192774144 385371035 /nfs/dbraw/zinc/37/10/35/385371035.db2.gz YZEBJFUNJQVITO-NSHDSACASA-N 1 2 240.307 0.482 20 0 BCADLO c1cnc(NCC[NH+]2CCOCC2)cn1 ZINC000019993459 385376824 /nfs/dbraw/zinc/37/68/24/385376824.db2.gz XBMJJKGPGZQNGT-UHFFFAOYSA-N 1 2 208.265 0.221 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H]2COC[C@@H]2O)s1 ZINC000308983772 385325567 /nfs/dbraw/zinc/32/55/67/385325567.db2.gz JBIFLHUWZMMIQV-GEVIPFJHSA-N 1 2 229.305 0.257 20 0 BCADLO Cn1cc[nH+]c1CN(CC(N)=O)C(C)(C)C ZINC000131325495 385326540 /nfs/dbraw/zinc/32/65/40/385326540.db2.gz PNRKFCDYFYEWIX-UHFFFAOYSA-N 1 2 224.308 0.506 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@@H](C)O ZINC000131314966 385326683 /nfs/dbraw/zinc/32/66/83/385326683.db2.gz ZXNVHNAWPOQPCH-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@@H](C)O ZINC000131314966 385326690 /nfs/dbraw/zinc/32/66/90/385326690.db2.gz ZXNVHNAWPOQPCH-MRVPVSSYSA-N 1 2 213.285 0.067 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](NC(N)=O)C2)oc1C ZINC000408024746 385426673 /nfs/dbraw/zinc/42/66/73/385426673.db2.gz GSAQRCAAQJBFHZ-VIFPVBQESA-N 1 2 238.291 0.534 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](NC(N)=O)C2)oc1C ZINC000408024746 385426679 /nfs/dbraw/zinc/42/66/79/385426679.db2.gz GSAQRCAAQJBFHZ-VIFPVBQESA-N 1 2 238.291 0.534 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1[nH]ncc1C ZINC000309057746 385393724 /nfs/dbraw/zinc/39/37/24/385393724.db2.gz VDXJHADQUDMVBU-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000309057746 385393727 /nfs/dbraw/zinc/39/37/27/385393727.db2.gz VDXJHADQUDMVBU-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)o1 ZINC000178614266 385399727 /nfs/dbraw/zinc/39/97/27/385399727.db2.gz WJHIMQQTVXDANC-NSHDSACASA-N 1 2 249.314 0.318 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000181714429 385411467 /nfs/dbraw/zinc/41/14/67/385411467.db2.gz CJWMOPWNVGBHPJ-MRVPVSSYSA-N 1 2 210.281 0.181 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000181714429 385411471 /nfs/dbraw/zinc/41/14/71/385411471.db2.gz CJWMOPWNVGBHPJ-MRVPVSSYSA-N 1 2 210.281 0.181 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](COC)C2)cn1 ZINC000193981389 385419816 /nfs/dbraw/zinc/41/98/16/385419816.db2.gz QIPHYNDDBIJMEZ-GFCCVEGCSA-N 1 2 237.303 0.831 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@@H](COC)C2)cn1 ZINC000193981389 385419820 /nfs/dbraw/zinc/41/98/20/385419820.db2.gz QIPHYNDDBIJMEZ-GFCCVEGCSA-N 1 2 237.303 0.831 20 0 BCADLO COC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029245 385440352 /nfs/dbraw/zinc/44/03/52/385440352.db2.gz HHWNTZBPKVDNPA-NXEZZACHSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029245 385440355 /nfs/dbraw/zinc/44/03/55/385440355.db2.gz HHWNTZBPKVDNPA-NXEZZACHSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CO1 ZINC000162241515 385446802 /nfs/dbraw/zinc/44/68/02/385446802.db2.gz KKVOWRAFOJKZFR-SFYZADRCSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CO1 ZINC000162241515 385446804 /nfs/dbraw/zinc/44/68/04/385446804.db2.gz KKVOWRAFOJKZFR-SFYZADRCSA-N 1 2 209.249 0.451 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194850055 385448803 /nfs/dbraw/zinc/44/88/03/385448803.db2.gz OGVWPUGGERIHLL-DCAQKATOSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC=CO1 ZINC000194850055 385448808 /nfs/dbraw/zinc/44/88/08/385448808.db2.gz OGVWPUGGERIHLL-DCAQKATOSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194850073 385449736 /nfs/dbraw/zinc/44/97/36/385449736.db2.gz OGVWPUGGERIHLL-GARJFASQSA-N 1 2 241.287 0.287 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC=CO1 ZINC000194850073 385449740 /nfs/dbraw/zinc/44/97/40/385449740.db2.gz OGVWPUGGERIHLL-GARJFASQSA-N 1 2 241.287 0.287 20 0 BCADLO Cc1nnc(C[N@H+](C)CCCO)s1 ZINC000281840679 385450646 /nfs/dbraw/zinc/45/06/46/385450646.db2.gz MVUXNIDWZVWTAD-UHFFFAOYSA-N 1 2 201.295 0.661 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCCO)s1 ZINC000281840679 385450650 /nfs/dbraw/zinc/45/06/50/385450650.db2.gz MVUXNIDWZVWTAD-UHFFFAOYSA-N 1 2 201.295 0.661 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000156562056 385458397 /nfs/dbraw/zinc/45/83/97/385458397.db2.gz XNQKKXKHPLDJRH-NSHDSACASA-N 1 2 232.287 0.291 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000156562056 385458401 /nfs/dbraw/zinc/45/84/01/385458401.db2.gz XNQKKXKHPLDJRH-NSHDSACASA-N 1 2 232.287 0.291 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195013121 385456509 /nfs/dbraw/zinc/45/65/09/385456509.db2.gz XGNVJMDXMLBPEZ-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195013121 385456514 /nfs/dbraw/zinc/45/65/14/385456514.db2.gz XGNVJMDXMLBPEZ-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO Cn1nnnc1SCc1cc[nH+]c(N)c1 ZINC000052755922 385457240 /nfs/dbraw/zinc/45/72/40/385457240.db2.gz XTBMRKZRPDGTKJ-UHFFFAOYSA-N 1 2 222.277 0.480 20 0 BCADLO CC[C@@H]([NH2+]CC(=O)OC)[C@@H]1CCCO1 ZINC000182245853 385436422 /nfs/dbraw/zinc/43/64/22/385436422.db2.gz ZPTSORYFDIAOFZ-BDAKNGLRSA-N 1 2 201.266 0.707 20 0 BCADLO CN(CCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179471511 385466858 /nfs/dbraw/zinc/46/68/58/385466858.db2.gz ONVWLXUQMNCBMF-UHFFFAOYSA-N 1 2 219.244 0.399 20 0 BCADLO c1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n[nH]1 ZINC000179470966 385467408 /nfs/dbraw/zinc/46/74/08/385467408.db2.gz IBXWRURETNOZAE-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)n[nH]1 ZINC000179470966 385467412 /nfs/dbraw/zinc/46/74/12/385467412.db2.gz IBXWRURETNOZAE-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000182825381 385477274 /nfs/dbraw/zinc/47/72/74/385477274.db2.gz PSPJZRQSVYRKQI-GFCCVEGCSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000182825381 385477280 /nfs/dbraw/zinc/47/72/80/385477280.db2.gz PSPJZRQSVYRKQI-GFCCVEGCSA-N 1 2 238.335 0.891 20 0 BCADLO COC(CN1CCc2c([nH+]cn2C)C1)OC ZINC000364573373 385480994 /nfs/dbraw/zinc/48/09/94/385480994.db2.gz BINYFWMTBDMMRO-UHFFFAOYSA-N 1 2 225.292 0.397 20 0 BCADLO COC(C[N@@H+]1CCc2c(ncn2C)C1)OC ZINC000364573373 385480998 /nfs/dbraw/zinc/48/09/98/385480998.db2.gz BINYFWMTBDMMRO-UHFFFAOYSA-N 1 2 225.292 0.397 20 0 BCADLO COC(C[N@H+]1CCc2c(ncn2C)C1)OC ZINC000364573373 385481000 /nfs/dbraw/zinc/48/10/00/385481000.db2.gz BINYFWMTBDMMRO-UHFFFAOYSA-N 1 2 225.292 0.397 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc[nH]1 ZINC000171418101 385482912 /nfs/dbraw/zinc/48/29/12/385482912.db2.gz BLGCPJMNUSGNPA-UHFFFAOYSA-N 1 2 237.303 0.419 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)C(=O)N1CCCC1 ZINC000157103592 385486391 /nfs/dbraw/zinc/48/63/91/385486391.db2.gz MWDYFYVBLTZEDV-VIFPVBQESA-N 1 2 222.292 0.510 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000157118132 385487572 /nfs/dbraw/zinc/48/75/72/385487572.db2.gz WTXDTYOSRKLRKX-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccnn1C ZINC000157118132 385487577 /nfs/dbraw/zinc/48/75/77/385487577.db2.gz WTXDTYOSRKLRKX-CMPLNLGQSA-N 1 2 239.319 0.392 20 0 BCADLO Cn1cc(N2CC[N@H+](CC3CC3)CC2=O)cn1 ZINC000156655833 385464284 /nfs/dbraw/zinc/46/42/84/385464284.db2.gz YSNSBFZYJNALKA-UHFFFAOYSA-N 1 2 234.303 0.479 20 0 BCADLO Cn1cc(N2CC[N@@H+](CC3CC3)CC2=O)cn1 ZINC000156655833 385464288 /nfs/dbraw/zinc/46/42/88/385464288.db2.gz YSNSBFZYJNALKA-UHFFFAOYSA-N 1 2 234.303 0.479 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401649621 385492421 /nfs/dbraw/zinc/49/24/21/385492421.db2.gz OJLKSXTUTMKRSK-NSHDSACASA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401649621 385492425 /nfs/dbraw/zinc/49/24/25/385492425.db2.gz OJLKSXTUTMKRSK-NSHDSACASA-N 1 2 231.292 0.023 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C(N)=O ZINC000179847506 385493998 /nfs/dbraw/zinc/49/39/98/385493998.db2.gz YIOIIQFJQFWURC-ZETCQYMHSA-N 1 2 222.248 0.385 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)O ZINC000179874670 385496625 /nfs/dbraw/zinc/49/66/25/385496625.db2.gz QVKHESCHDGANBY-MRVPVSSYSA-N 1 2 209.249 0.892 20 0 BCADLO CC[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000111274134 385497759 /nfs/dbraw/zinc/49/77/59/385497759.db2.gz AZXFXCRGHQFTRH-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000111274134 385497762 /nfs/dbraw/zinc/49/77/62/385497762.db2.gz AZXFXCRGHQFTRH-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)C[C@@H](C)O)nn1 ZINC000361010630 385505209 /nfs/dbraw/zinc/50/52/09/385505209.db2.gz QJDZCQIGGGDMNA-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cc(C[N@H+](C)C[C@@H](C)O)nn1 ZINC000361010630 385505212 /nfs/dbraw/zinc/50/52/12/385505212.db2.gz QJDZCQIGGGDMNA-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000180082216 385506277 /nfs/dbraw/zinc/50/62/77/385506277.db2.gz VDPMSVPPCHDDMG-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000180082216 385506278 /nfs/dbraw/zinc/50/62/78/385506278.db2.gz VDPMSVPPCHDDMG-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](O)CC1 ZINC000493094610 385518188 /nfs/dbraw/zinc/51/81/88/385518188.db2.gz RMAHBCOSGVZQHQ-DLRQAJBASA-N 1 2 235.287 0.796 20 0 BCADLO Cc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)cc[nH+]1 ZINC000644134678 385514668 /nfs/dbraw/zinc/51/46/68/385514668.db2.gz SNBNJAQEWOZZHQ-MYJAWHEDSA-N 1 2 205.261 0.460 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](CO)C1 ZINC000408063658 385515335 /nfs/dbraw/zinc/51/53/35/385515335.db2.gz RIGJZUUNUIUSRW-SNVBAGLBSA-N 1 2 235.287 0.658 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ncc[nH]1 ZINC000282187571 385516899 /nfs/dbraw/zinc/51/68/99/385516899.db2.gz WHOQHZNDQGMMEQ-UHFFFAOYSA-N 1 2 213.281 0.241 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ncc[nH]1 ZINC000282187571 385516902 /nfs/dbraw/zinc/51/69/02/385516902.db2.gz WHOQHZNDQGMMEQ-UHFFFAOYSA-N 1 2 213.281 0.241 20 0 BCADLO O=C(CO)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334191250 385517195 /nfs/dbraw/zinc/51/71/95/385517195.db2.gz IHVGKLMFEJPGJP-LLVKDONJSA-N 1 2 238.262 0.291 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC1 ZINC000106818030 385531995 /nfs/dbraw/zinc/53/19/95/385531995.db2.gz BYHRGVQNTYIOKY-JTQLQIEISA-N 1 2 225.336 0.149 20 0 BCADLO CC(C)CCOCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934108 385545977 /nfs/dbraw/zinc/54/59/77/385545977.db2.gz ZUMGGDWVDKWHRV-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCOCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934108 385545980 /nfs/dbraw/zinc/54/59/80/385545980.db2.gz ZUMGGDWVDKWHRV-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1CO ZINC000364955084 385547083 /nfs/dbraw/zinc/54/70/83/385547083.db2.gz PQUMUCZCUDILPQ-WDEREUQCSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@H]1O ZINC000493110660 385521985 /nfs/dbraw/zinc/52/19/85/385521985.db2.gz BJEUZGWWUNFPDE-HLKOZVMDSA-N 1 2 235.287 0.652 20 0 BCADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@@H]1CC1(C)C ZINC000309309684 385525284 /nfs/dbraw/zinc/52/52/84/385525284.db2.gz WPSHJGIOXWZZDT-ZCFIWIBFSA-N 1 2 222.296 0.266 20 0 BCADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@@H]1CC1(C)C ZINC000309309684 385525286 /nfs/dbraw/zinc/52/52/86/385525286.db2.gz WPSHJGIOXWZZDT-ZCFIWIBFSA-N 1 2 222.296 0.266 20 0 BCADLO CCc1cc(N)nc(SCC(=O)COC)[nH+]1 ZINC000309308220 385525382 /nfs/dbraw/zinc/52/53/82/385525382.db2.gz WGYBCFQXPXRKCQ-UHFFFAOYSA-N 1 2 241.316 0.929 20 0 BCADLO CC(=O)N1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000157829144 385526230 /nfs/dbraw/zinc/52/62/30/385526230.db2.gz LBKUUOFGHFNZMP-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H](O)COC)C(=O)OC ZINC000172238355 385527010 /nfs/dbraw/zinc/52/70/10/385527010.db2.gz OTLSGZMUPBIOJO-ONGXEEELSA-N 1 2 233.308 0.315 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC000408154637 385574780 /nfs/dbraw/zinc/57/47/80/385574780.db2.gz LOFJJROHKZVJFN-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO CC(C)(CCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493452885 385575727 /nfs/dbraw/zinc/57/57/27/385575727.db2.gz LFUDCTVACDCZST-ONEGZZNKSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000367711078 385555008 /nfs/dbraw/zinc/55/50/08/385555008.db2.gz XIICHBUURQNLAS-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ncc(CN2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000367711078 385555011 /nfs/dbraw/zinc/55/50/11/385555011.db2.gz XIICHBUURQNLAS-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO C[C@@H]1[C@@H](O)CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493298035 385560291 /nfs/dbraw/zinc/56/02/91/385560291.db2.gz FGMGYCKXJXNLLL-OOMSKYPHSA-N 1 2 235.287 0.795 20 0 BCADLO CC[C@H]([NH2+][C@H](CCOC)COC)C(=O)OC ZINC000309395147 385561438 /nfs/dbraw/zinc/56/14/38/385561438.db2.gz UKDKDOMOEYXTNM-ZJUUUORDSA-N 1 2 233.308 0.579 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)C1(CO)CC1 ZINC000647701803 385570182 /nfs/dbraw/zinc/57/01/82/385570182.db2.gz MSNLNYNSIQHGGR-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO CCN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1=O ZINC000493420780 385573629 /nfs/dbraw/zinc/57/36/29/385573629.db2.gz OKYCJMMLPUEVGR-ONEGZZNKSA-N 1 2 248.286 0.114 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000309413235 385573777 /nfs/dbraw/zinc/57/37/77/385573777.db2.gz CCVCUTCFPBPCIP-GUBZILKMSA-N 1 2 231.292 0.332 20 0 BCADLO COCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000337308263 385593417 /nfs/dbraw/zinc/59/34/17/385593417.db2.gz UWMGZQKGNAGJJR-UHFFFAOYSA-N 1 2 249.314 0.685 20 0 BCADLO CCN(CC[N@@H+]1CCO[C@H](C)C1)CC(=O)OC ZINC000337321210 385596745 /nfs/dbraw/zinc/59/67/45/385596745.db2.gz BVIBIXNREMMRBS-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC[N@H+]1CCO[C@H](C)C1)CC(=O)OC ZINC000337321210 385596750 /nfs/dbraw/zinc/59/67/50/385596750.db2.gz BVIBIXNREMMRBS-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+](CCN1CCO[C@H](C)C1)CC(=O)OC ZINC000337321210 385596754 /nfs/dbraw/zinc/59/67/54/385596754.db2.gz BVIBIXNREMMRBS-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+](CCN1CCO[C@H](C)C1)CC(=O)OC ZINC000337321210 385596757 /nfs/dbraw/zinc/59/67/57/385596757.db2.gz BVIBIXNREMMRBS-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000354022294 385598451 /nfs/dbraw/zinc/59/84/51/385598451.db2.gz MXOKSCXNZDOMJZ-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)C=C2CCC2)C[NH2+]1 ZINC000365103284 385599459 /nfs/dbraw/zinc/59/94/59/385599459.db2.gz ZYCOUCNOHASHLV-VHSXEESVSA-N 1 2 238.287 0.116 20 0 BCADLO CC[C@@H](Nc1cc(-n2cc[nH+]c2)ncn1)C(N)=O ZINC000643173719 385578364 /nfs/dbraw/zinc/57/83/64/385578364.db2.gz VVBIBNSKMPMNKU-MRVPVSSYSA-N 1 2 246.274 0.338 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309436861 385578661 /nfs/dbraw/zinc/57/86/61/385578661.db2.gz HLDBGEQJVPXZAG-JGVFFNPUSA-N 1 2 228.292 0.195 20 0 BCADLO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccon1 ZINC000309440951 385583077 /nfs/dbraw/zinc/58/30/77/385583077.db2.gz ILRKCXHYLOODMI-MRVPVSSYSA-N 1 2 247.320 0.265 20 0 BCADLO COC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309440410 385583308 /nfs/dbraw/zinc/58/33/08/385583308.db2.gz IICMTWUMOAISJQ-SSDOTTSWSA-N 1 2 225.296 0.693 20 0 BCADLO COC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309440410 385583310 /nfs/dbraw/zinc/58/33/10/385583310.db2.gz IICMTWUMOAISJQ-SSDOTTSWSA-N 1 2 225.296 0.693 20 0 BCADLO Cc1nnc(NC[C@H]2CN(C)CC[N@@H+]2C)o1 ZINC000309448203 385586820 /nfs/dbraw/zinc/58/68/20/385586820.db2.gz KIMNOMRTJCMBEU-VIFPVBQESA-N 1 2 225.296 0.036 20 0 BCADLO Cc1nnc(NC[C@H]2CN(C)CC[N@H+]2C)o1 ZINC000309448203 385586823 /nfs/dbraw/zinc/58/68/23/385586823.db2.gz KIMNOMRTJCMBEU-VIFPVBQESA-N 1 2 225.296 0.036 20 0 BCADLO Cc1nnc(N[C@H](C)C[NH+]2CCOCC2)o1 ZINC000309495047 385615267 /nfs/dbraw/zinc/61/52/67/385615267.db2.gz TUUSWVVFBFPZNZ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CCN(CCOC)C(=O)CCc1c[nH+]cn1C ZINC000280893328 385615442 /nfs/dbraw/zinc/61/54/42/385615442.db2.gz NZEJUHFONNSGHK-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO NC(=O)[C@H]1COCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000408198346 385615559 /nfs/dbraw/zinc/61/55/59/385615559.db2.gz MNMNJMYAQVAHPD-WDEREUQCSA-N 1 2 242.319 0.132 20 0 BCADLO NC(=O)[C@H]1COCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000408198346 385615567 /nfs/dbraw/zinc/61/55/67/385615567.db2.gz MNMNJMYAQVAHPD-WDEREUQCSA-N 1 2 242.319 0.132 20 0 BCADLO COC[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000269655489 385620096 /nfs/dbraw/zinc/62/00/96/385620096.db2.gz OBBMLNQQQRDYJO-LLVKDONJSA-N 1 2 237.303 0.814 20 0 BCADLO COC[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000269655490 385620111 /nfs/dbraw/zinc/62/01/11/385620111.db2.gz OBBMLNQQQRDYJO-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO CC[C@H](C)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939464 385620408 /nfs/dbraw/zinc/62/04/08/385620408.db2.gz OUWLQEHMPSZKMZ-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371670 385628251 /nfs/dbraw/zinc/62/82/51/385628251.db2.gz NTXZAUWDYWXGQB-UHFFFAOYSA-N 1 2 231.259 0.640 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371670 385628254 /nfs/dbraw/zinc/62/82/54/385628254.db2.gz NTXZAUWDYWXGQB-UHFFFAOYSA-N 1 2 231.259 0.640 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)[C@H]1C ZINC000595505279 385631391 /nfs/dbraw/zinc/63/13/91/385631391.db2.gz PQCINGUPOKFKTI-IVZWLZJFSA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@H]1C ZINC000595505279 385631396 /nfs/dbraw/zinc/63/13/96/385631396.db2.gz PQCINGUPOKFKTI-IVZWLZJFSA-N 1 2 243.303 0.821 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@]23CCOC3)s1 ZINC000367450124 385631355 /nfs/dbraw/zinc/63/13/55/385631355.db2.gz NXNOPGBGJICTOT-JTQLQIEISA-N 1 2 241.316 0.999 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@]23CCOC3)s1 ZINC000367450124 385631358 /nfs/dbraw/zinc/63/13/58/385631358.db2.gz NXNOPGBGJICTOT-JTQLQIEISA-N 1 2 241.316 0.999 20 0 BCADLO COC(=O)CCC[N@@H+]1CC(=O)NCC1(C)C ZINC000337391381 385632443 /nfs/dbraw/zinc/63/24/43/385632443.db2.gz HPTZGXHLNXEPQG-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)CCC[N@H+]1CC(=O)NCC1(C)C ZINC000337391381 385632447 /nfs/dbraw/zinc/63/24/47/385632447.db2.gz HPTZGXHLNXEPQG-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1c[nH+]cn1C ZINC000280842104 385609028 /nfs/dbraw/zinc/60/90/28/385609028.db2.gz LWODRKCBHKQLCT-MRVPVSSYSA-N 1 2 211.265 0.413 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000280857608 385612247 /nfs/dbraw/zinc/61/22/47/385612247.db2.gz MZBXKPAOGOMGOE-VIFPVBQESA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000280857608 385612248 /nfs/dbraw/zinc/61/22/48/385612248.db2.gz MZBXKPAOGOMGOE-VIFPVBQESA-N 1 2 213.277 0.826 20 0 BCADLO Cc1nnccc1C(=O)NCCCn1cc[nH+]c1 ZINC000269812703 385637504 /nfs/dbraw/zinc/63/75/04/385637504.db2.gz CDWXMVPVHCBBEO-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1snnc1C ZINC000647910379 385640433 /nfs/dbraw/zinc/64/04/33/385640433.db2.gz NKRDLSFRNXDWKR-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1snnc1C ZINC000647910379 385640442 /nfs/dbraw/zinc/64/04/42/385640442.db2.gz NKRDLSFRNXDWKR-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000353136256 385642845 /nfs/dbraw/zinc/64/28/45/385642845.db2.gz KQABXJOOXYRHDC-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000353136256 385642848 /nfs/dbraw/zinc/64/28/48/385642848.db2.gz KQABXJOOXYRHDC-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO O=C1N[C@H]2CC[N@H+](Cc3ncc[nH]3)C[C@@H]2CO1 ZINC000281227981 385646800 /nfs/dbraw/zinc/64/68/00/385646800.db2.gz KVURQZCVUVUWPX-BDAKNGLRSA-N 1 2 236.275 0.340 20 0 BCADLO O=C1N[C@H]2CC[N@@H+](Cc3ncc[nH]3)C[C@@H]2CO1 ZINC000281227981 385646808 /nfs/dbraw/zinc/64/68/08/385646808.db2.gz KVURQZCVUVUWPX-BDAKNGLRSA-N 1 2 236.275 0.340 20 0 BCADLO Cc1nnccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269907549 385648125 /nfs/dbraw/zinc/64/81/25/385648125.db2.gz JJXDWBRFLVCHLU-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cn1nncc1CNc1cccc(CO)[nH+]1 ZINC000309514086 385649741 /nfs/dbraw/zinc/64/97/41/385649741.db2.gz QSDSFPJLYAUWOC-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000307069371 385655169 /nfs/dbraw/zinc/65/51/69/385655169.db2.gz CRMXVIJHPFSBMP-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000307069371 385655174 /nfs/dbraw/zinc/65/51/74/385655174.db2.gz CRMXVIJHPFSBMP-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)CCOCCO)o1 ZINC000337435427 385661982 /nfs/dbraw/zinc/66/19/82/385661982.db2.gz HMAURJQVRWFSJP-SNVBAGLBSA-N 1 2 228.292 0.985 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)CCOCCO)o1 ZINC000337435427 385661990 /nfs/dbraw/zinc/66/19/90/385661990.db2.gz HMAURJQVRWFSJP-SNVBAGLBSA-N 1 2 228.292 0.985 20 0 BCADLO CCCCOCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337443488 385663506 /nfs/dbraw/zinc/66/35/06/385663506.db2.gz HDNQKVFTQOCAEG-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337443488 385663512 /nfs/dbraw/zinc/66/35/12/385663512.db2.gz HDNQKVFTQOCAEG-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000337446853 385663617 /nfs/dbraw/zinc/66/36/17/385663617.db2.gz IVFWFTIKMTYGPV-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000337446853 385663621 /nfs/dbraw/zinc/66/36/21/385663621.db2.gz IVFWFTIKMTYGPV-LLVKDONJSA-N 1 2 240.328 0.701 20 0 BCADLO O=C1C[N@H+](CCc2ccncc2)CCN1C1CC1 ZINC000337473280 385676480 /nfs/dbraw/zinc/67/64/80/385676480.db2.gz QQVPUXGBSOQXDJ-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO O=C1C[N@@H+](CCc2ccncc2)CCN1C1CC1 ZINC000337473280 385676485 /nfs/dbraw/zinc/67/64/85/385676485.db2.gz QQVPUXGBSOQXDJ-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO C[C@@H](C(=O)N1[C@H](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000518794445 385676567 /nfs/dbraw/zinc/67/65/67/385676567.db2.gz DLHJKTCCDUOULI-MXWKQRLJSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195542 385690045 /nfs/dbraw/zinc/69/00/45/385690045.db2.gz XUKAFAGTCPODCM-VIFPVBQESA-N 1 2 245.298 0.512 20 0 BCADLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195542 385690050 /nfs/dbraw/zinc/69/00/50/385690050.db2.gz XUKAFAGTCPODCM-VIFPVBQESA-N 1 2 245.298 0.512 20 0 BCADLO C[C@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000645225315 385692308 /nfs/dbraw/zinc/69/23/08/385692308.db2.gz GGVADDUEINCUHJ-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000645225315 385692313 /nfs/dbraw/zinc/69/23/13/385692313.db2.gz GGVADDUEINCUHJ-QWRGUYRKSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnnc1 ZINC000270295791 385693907 /nfs/dbraw/zinc/69/39/07/385693907.db2.gz BENXOJSJPSPKRP-VIFPVBQESA-N 1 2 231.259 0.492 20 0 BCADLO CN(CCCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000281716974 385695559 /nfs/dbraw/zinc/69/55/59/385695559.db2.gz GOERGZZPEIRDNG-UHFFFAOYSA-N 1 2 233.271 0.789 20 0 BCADLO C[C@@H](O)CN(CCn1cc[nH+]c1)CC(F)F ZINC000451839880 385718003 /nfs/dbraw/zinc/71/80/03/385718003.db2.gz RXVGMKCWXNABDI-SECBINFHSA-N 1 2 233.262 0.831 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CCOC1 ZINC000270352208 385701829 /nfs/dbraw/zinc/70/18/29/385701829.db2.gz PZNRBCALEBLPGB-NSHDSACASA-N 1 2 238.291 0.398 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC(=O)N1 ZINC000270415240 385706029 /nfs/dbraw/zinc/70/60/29/385706029.db2.gz JFLBKXVDKRAJEY-SNVBAGLBSA-N 1 2 233.271 0.997 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cn[nH]c2)c[nH+]1 ZINC000270452393 385708222 /nfs/dbraw/zinc/70/82/22/385708222.db2.gz LBIPPIAUTUIGHQ-LURJTMIESA-N 1 2 219.248 0.932 20 0 BCADLO Cc1[nH]c(C(=O)NCCC[C@H](C)CO)c[nH+]1 ZINC000270449204 385708540 /nfs/dbraw/zinc/70/85/40/385708540.db2.gz MOVPVGZBNHMLCM-QMMMGPOBSA-N 1 2 225.292 0.857 20 0 BCADLO C[N@H+](CCO)Cc1ncnn1-c1ccccc1 ZINC000281890973 385711708 /nfs/dbraw/zinc/71/17/08/385711708.db2.gz DSQPBWZGCVPHBI-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO C[N@@H+](CCO)Cc1ncnn1-c1ccccc1 ZINC000281890973 385711710 /nfs/dbraw/zinc/71/17/10/385711710.db2.gz DSQPBWZGCVPHBI-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO CCc1ccc([C@@H](COC)[NH2+]CC(N)=O)o1 ZINC000184812379 385713097 /nfs/dbraw/zinc/71/30/97/385713097.db2.gz PCZYWKZZUNCUKA-SECBINFHSA-N 1 2 226.276 0.604 20 0 BCADLO Cn1ccnc1C[NH2+]Cc1ncccc1O ZINC000309582501 385713729 /nfs/dbraw/zinc/71/37/29/385713729.db2.gz QUQSTXCTNKMPND-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO CC[N@H+](CCOCCO)[C@H](C)c1nnc(C)o1 ZINC000337460288 385668379 /nfs/dbraw/zinc/66/83/79/385668379.db2.gz ZPTUSUFQGQTHES-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@H](C)c1nnc(C)o1 ZINC000337460288 385668383 /nfs/dbraw/zinc/66/83/83/385668383.db2.gz ZPTUSUFQGQTHES-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cs1 ZINC000270672741 385729001 /nfs/dbraw/zinc/72/90/01/385729001.db2.gz SKOJUVOETBOFCN-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](NC(N)=O)C2)cs1 ZINC000270672741 385729005 /nfs/dbraw/zinc/72/90/05/385729005.db2.gz SKOJUVOETBOFCN-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1ccnn1C ZINC000183057689 385732808 /nfs/dbraw/zinc/73/28/08/385732808.db2.gz WSSKJZBRDDDTTN-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1ccnn1C ZINC000183057689 385732811 /nfs/dbraw/zinc/73/28/11/385732811.db2.gz WSSKJZBRDDDTTN-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO C[C@@H]1OCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000270735473 385735144 /nfs/dbraw/zinc/73/51/44/385735144.db2.gz OSAMGEDHMJFJTI-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292432132 385736632 /nfs/dbraw/zinc/73/66/32/385736632.db2.gz MFKXYFNPZJYGRF-VIFPVBQESA-N 1 2 238.291 0.498 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292432132 385736636 /nfs/dbraw/zinc/73/66/36/385736636.db2.gz MFKXYFNPZJYGRF-VIFPVBQESA-N 1 2 238.291 0.498 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292432127 385738370 /nfs/dbraw/zinc/73/83/70/385738370.db2.gz MFKXYFNPZJYGRF-SECBINFHSA-N 1 2 238.291 0.498 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292432127 385738376 /nfs/dbraw/zinc/73/83/76/385738376.db2.gz MFKXYFNPZJYGRF-SECBINFHSA-N 1 2 238.291 0.498 20 0 BCADLO CC[C@@H](C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365764321 385749879 /nfs/dbraw/zinc/74/98/79/385749879.db2.gz LLSYJJLYFYPJCJ-HRDYMLBCSA-N 1 2 228.292 0.052 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000270841489 385751333 /nfs/dbraw/zinc/75/13/33/385751333.db2.gz VTCRPPDUSIAJHY-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000270841489 385751337 /nfs/dbraw/zinc/75/13/37/385751337.db2.gz VTCRPPDUSIAJHY-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO CCOC(=O)c1csc(C[N@H+](C)CCO)n1 ZINC000292494437 385764752 /nfs/dbraw/zinc/76/47/52/385764752.db2.gz BRCDZQONJPYRPP-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO CCOC(=O)c1csc(C[N@@H+](C)CCO)n1 ZINC000292494437 385764757 /nfs/dbraw/zinc/76/47/57/385764757.db2.gz BRCDZQONJPYRPP-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2)s1 ZINC000271023884 385772485 /nfs/dbraw/zinc/77/24/85/385772485.db2.gz VJKHEZJNKMZOHO-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO Cc1ccc(C[N@H+]2CCNC(=O)C2)s1 ZINC000271023884 385772487 /nfs/dbraw/zinc/77/24/87/385772487.db2.gz VJKHEZJNKMZOHO-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO O=C(C1[C@@H]2CCC[C@H]12)N1CC[NH+](CCO)CC1 ZINC000094816859 385773842 /nfs/dbraw/zinc/77/38/42/385773842.db2.gz ZROFVLAXBJCSQG-FOSCPWQOSA-N 1 2 238.331 0.169 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1 ZINC000271041604 385774400 /nfs/dbraw/zinc/77/44/00/385774400.db2.gz IVGJUDSGVBGHJS-UHFFFAOYSA-N 1 2 214.215 0.882 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1 ZINC000271041604 385774404 /nfs/dbraw/zinc/77/44/04/385774404.db2.gz IVGJUDSGVBGHJS-UHFFFAOYSA-N 1 2 214.215 0.882 20 0 BCADLO CC[N@H+](CCCO)Cc1ncnn1CC(F)F ZINC000488422347 385775683 /nfs/dbraw/zinc/77/56/83/385775683.db2.gz YRAKRJNZXGMKJU-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO CC[N@@H+](CCCO)Cc1ncnn1CC(F)F ZINC000488422347 385775686 /nfs/dbraw/zinc/77/56/86/385775686.db2.gz YRAKRJNZXGMKJU-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO CC[N@H+](CCOCCO)Cc1cn[nH]c1C ZINC000282668903 385777395 /nfs/dbraw/zinc/77/73/95/385777395.db2.gz HJYBIDMUSNZCGM-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1cn[nH]c1C ZINC000282668903 385777399 /nfs/dbraw/zinc/77/73/99/385777399.db2.gz HJYBIDMUSNZCGM-UHFFFAOYSA-N 1 2 227.308 0.549 20 0 BCADLO Cn1ccc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000282703453 385780150 /nfs/dbraw/zinc/78/01/50/385780150.db2.gz JZWUPDJLLUVWSD-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1ccc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000282703453 385780152 /nfs/dbraw/zinc/78/01/52/385780152.db2.gz JZWUPDJLLUVWSD-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282727824 385782221 /nfs/dbraw/zinc/78/22/21/385782221.db2.gz CJHLAMDRVKHMBO-HXQNXIEXSA-N 1 2 223.276 0.963 20 0 BCADLO COC(=O)C[N@H+](CCSC)C1CC1 ZINC000336654084 385719100 /nfs/dbraw/zinc/71/91/00/385719100.db2.gz NFYXLDYMKVGHHN-UHFFFAOYSA-N 1 2 203.307 0.987 20 0 BCADLO COC(=O)C[N@@H+](CCSC)C1CC1 ZINC000336654084 385719102 /nfs/dbraw/zinc/71/91/02/385719102.db2.gz NFYXLDYMKVGHHN-UHFFFAOYSA-N 1 2 203.307 0.987 20 0 BCADLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCNC1=O ZINC000408385254 385798674 /nfs/dbraw/zinc/79/86/74/385798674.db2.gz JOQZOSUAEPBSSA-ZETCQYMHSA-N 1 2 249.299 0.344 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000271215333 385805703 /nfs/dbraw/zinc/80/57/03/385805703.db2.gz WHKGEMINNONOME-JTQLQIEISA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000271215333 385805709 /nfs/dbraw/zinc/80/57/09/385805709.db2.gz WHKGEMINNONOME-JTQLQIEISA-N 1 2 222.292 0.381 20 0 BCADLO CSCC[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408388684 385809867 /nfs/dbraw/zinc/80/98/67/385809867.db2.gz FFBXIHSUIOEZIS-DTWKUNHWSA-N 1 2 243.332 0.849 20 0 BCADLO CSCC[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408388684 385809874 /nfs/dbraw/zinc/80/98/74/385809874.db2.gz FFBXIHSUIOEZIS-DTWKUNHWSA-N 1 2 243.332 0.849 20 0 BCADLO COCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865053 533147908 /nfs/dbraw/zinc/14/79/08/533147908.db2.gz OAHRSCPZRRYKQL-NSCUHMNNSA-N 1 2 211.221 0.117 20 0 BCADLO Cc1nc(C[NH+]2CCC(C)(CO)CC2)no1 ZINC000186897250 385812325 /nfs/dbraw/zinc/81/23/25/385812325.db2.gz YGUJBWPZOITMPU-UHFFFAOYSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NN1CCCCC1 ZINC000283229097 385814467 /nfs/dbraw/zinc/81/44/67/385814467.db2.gz BGLVGPNLPDYVLB-UHFFFAOYSA-N 1 2 222.292 0.778 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NN1CCCCC1 ZINC000283229097 385814473 /nfs/dbraw/zinc/81/44/73/385814473.db2.gz BGLVGPNLPDYVLB-UHFFFAOYSA-N 1 2 222.292 0.778 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCn1cccn1 ZINC000186954271 385818511 /nfs/dbraw/zinc/81/85/11/385818511.db2.gz QLGBJVTZALPKEG-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1cccn1 ZINC000186954271 385818513 /nfs/dbraw/zinc/81/85/13/385818513.db2.gz QLGBJVTZALPKEG-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO Cc1ccc(O)c(C[NH2+]CC(F)(F)CO)n1 ZINC000231776420 385819361 /nfs/dbraw/zinc/81/93/61/385819361.db2.gz HCYZNYBGQKXEDQ-UHFFFAOYSA-N 1 2 232.230 0.813 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCc2ncnn21 ZINC000602772862 385820197 /nfs/dbraw/zinc/82/01/97/385820197.db2.gz MEFTUNWJJXLCOW-MRVPVSSYSA-N 1 2 238.291 0.307 20 0 BCADLO CC[C@@H](COC)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336740686 385820894 /nfs/dbraw/zinc/82/08/94/385820894.db2.gz USSIKZPMSHOJBI-BDAKNGLRSA-N 1 2 212.297 0.891 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCOCC1 ZINC000271876641 385857638 /nfs/dbraw/zinc/85/76/38/385857638.db2.gz POWRGAMFVXHNEC-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000365838354 385822096 /nfs/dbraw/zinc/82/20/96/385822096.db2.gz POHACUCRAOLAQS-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000365838354 385822101 /nfs/dbraw/zinc/82/21/01/385822101.db2.gz POHACUCRAOLAQS-NSHDSACASA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1CC1 ZINC000336737808 385824637 /nfs/dbraw/zinc/82/46/37/385824637.db2.gz JSGCXLATQALLAD-JGVFFNPUSA-N 1 2 223.276 0.992 20 0 BCADLO CO[C@@H](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283640274 385826377 /nfs/dbraw/zinc/82/63/77/385826377.db2.gz CBPNLIDHKVGITA-NWALNABHSA-N 1 2 223.276 0.964 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCCCO1 ZINC000283722425 385829866 /nfs/dbraw/zinc/82/98/66/385829866.db2.gz VSYVLZPGGCZLCZ-UHFFFAOYSA-N 1 2 224.264 0.657 20 0 BCADLO CC(=O)N1CC[NH+](CCOCC(F)F)CC1 ZINC000188666342 385831641 /nfs/dbraw/zinc/83/16/41/385831641.db2.gz NATKCAHWFHJCTG-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO O=S1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112080083 385831905 /nfs/dbraw/zinc/83/19/05/385831905.db2.gz OQYBGDGQSAJHER-UHFFFAOYSA-N 1 2 237.328 0.923 20 0 BCADLO C[C@H](C[NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000262056207 385835725 /nfs/dbraw/zinc/83/57/25/385835725.db2.gz HYTLMXFHYOWQCO-ZCFIWIBFSA-N 1 2 219.248 0.491 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](CC(N)=O)C(C)C ZINC000283849234 385836115 /nfs/dbraw/zinc/83/61/15/385836115.db2.gz DIIMFZUEYPSGAD-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cc1c[nH]nc1C[N@H+](CC(N)=O)C(C)C ZINC000283849234 385836121 /nfs/dbraw/zinc/83/61/21/385836121.db2.gz DIIMFZUEYPSGAD-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000283852577 385836904 /nfs/dbraw/zinc/83/69/04/385836904.db2.gz UEADQIPCORNZPG-UHFFFAOYSA-N 1 2 239.294 0.989 20 0 BCADLO C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCO1 ZINC000128619501 385848258 /nfs/dbraw/zinc/84/82/58/385848258.db2.gz IOSNQRPVHYRFRJ-CYBMUJFWSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC2(C1)CCOC2 ZINC000294442691 385851926 /nfs/dbraw/zinc/85/19/26/385851926.db2.gz OJKRNHQCNLVUFZ-OWOJBTEDSA-N 1 2 233.271 0.672 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ccc(C(N)=O)cn1 ZINC000284146902 385853382 /nfs/dbraw/zinc/85/33/82/385853382.db2.gz SGPTUGYJYPQIIP-UHFFFAOYSA-N 1 2 245.286 0.550 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)o1 ZINC000309687712 385789810 /nfs/dbraw/zinc/78/98/10/385789810.db2.gz HVDRYGSYFVDDAH-UWVGGRQHSA-N 1 2 226.276 0.613 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000260177330 385790138 /nfs/dbraw/zinc/79/01/38/385790138.db2.gz UCTFYISKCFDNGK-QMMMGPOBSA-N 1 2 210.233 0.670 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000260177330 385790143 /nfs/dbraw/zinc/79/01/43/385790143.db2.gz UCTFYISKCFDNGK-QMMMGPOBSA-N 1 2 210.233 0.670 20 0 BCADLO Cn1cc(C[N@@H+]2CC(=O)NCC2(C)C)cn1 ZINC000282855145 385790344 /nfs/dbraw/zinc/79/03/44/385790344.db2.gz UGRGBSOUNRQPNG-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C[N@H+]2CC(=O)NCC2(C)C)cn1 ZINC000282855145 385790347 /nfs/dbraw/zinc/79/03/47/385790347.db2.gz UGRGBSOUNRQPNG-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCOC1 ZINC000284191231 385856189 /nfs/dbraw/zinc/85/61/89/385856189.db2.gz YYPNZBGHGZGFIH-FSIBCCDJSA-N 1 2 221.260 0.718 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@H](C)O)cs1 ZINC000289968012 385794707 /nfs/dbraw/zinc/79/47/07/385794707.db2.gz WXMNOCGCSCITIJ-QMMMGPOBSA-N 1 2 230.333 0.627 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@H](C)O)cs1 ZINC000289968012 385794711 /nfs/dbraw/zinc/79/47/11/385794711.db2.gz WXMNOCGCSCITIJ-QMMMGPOBSA-N 1 2 230.333 0.627 20 0 BCADLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)CO)[nH+]1 ZINC000271175486 385797767 /nfs/dbraw/zinc/79/77/67/385797767.db2.gz LGEQRUZVCFWKDH-QMMMGPOBSA-N 1 2 239.323 0.854 20 0 BCADLO CC(C)c1nc(N[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000271175486 385797772 /nfs/dbraw/zinc/79/77/72/385797772.db2.gz LGEQRUZVCFWKDH-QMMMGPOBSA-N 1 2 239.323 0.854 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000284762827 385883788 /nfs/dbraw/zinc/88/37/88/385883788.db2.gz SCZNNHGRZFGIOX-NEPJUHHUSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000284762827 385883794 /nfs/dbraw/zinc/88/37/94/385883794.db2.gz SCZNNHGRZFGIOX-NEPJUHHUSA-N 1 2 249.314 0.560 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cncc(C)c2)C1 ZINC000284771058 385884313 /nfs/dbraw/zinc/88/43/13/385884313.db2.gz XJEMOULZLBMKDG-RYUDHWBXSA-N 1 2 249.314 0.465 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cncc(C)c2)C1 ZINC000284771058 385884317 /nfs/dbraw/zinc/88/43/17/385884317.db2.gz XJEMOULZLBMKDG-RYUDHWBXSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnc(N)cn1 ZINC000228576279 385886535 /nfs/dbraw/zinc/88/65/35/385886535.db2.gz WUQUIOGWDVASDS-MRVPVSSYSA-N 1 2 246.274 0.074 20 0 BCADLO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336767808 385930314 /nfs/dbraw/zinc/93/03/14/385930314.db2.gz SRZSFXJTSISISG-DJLDLDEBSA-N 1 2 212.297 0.889 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)C1CC(=O)C1 ZINC000272250132 385888187 /nfs/dbraw/zinc/88/81/87/385888187.db2.gz VDRZNWUOACMQOA-UHFFFAOYSA-N 1 2 243.266 0.930 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1Cc2c[nH]nc2C1 ZINC000647843606 385892853 /nfs/dbraw/zinc/89/28/53/385892853.db2.gz ZHXRRULJJLOCNE-UHFFFAOYSA-N 1 2 241.258 0.607 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000285008560 385894115 /nfs/dbraw/zinc/89/41/15/385894115.db2.gz CKXWCUUFEXTSEJ-NXEZZACHSA-N 1 2 225.292 0.405 20 0 BCADLO Cc1ccn(Cc2c[nH+]cn2C)c(=O)c1 ZINC000122210625 385896631 /nfs/dbraw/zinc/89/66/31/385896631.db2.gz TURSERJDGOUWOK-UHFFFAOYSA-N 1 2 203.245 0.939 20 0 BCADLO Cc1nc(N[C@@H](C)[C@H](C)CO)nc(N)[nH+]1 ZINC000308859101 385899339 /nfs/dbraw/zinc/89/93/39/385899339.db2.gz JHFVJJGUUOHKRU-RITPCOANSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000308859101 385899341 /nfs/dbraw/zinc/89/93/41/385899341.db2.gz JHFVJJGUUOHKRU-RITPCOANSA-N 1 2 211.269 0.191 20 0 BCADLO c1nc(N2CCSCC2)c2c([nH+]1)NCCO2 ZINC000647857131 385907418 /nfs/dbraw/zinc/90/74/18/385907418.db2.gz CKCVEHQXTHXUIN-UHFFFAOYSA-N 1 2 238.316 0.834 20 0 BCADLO c1nc2c(c(N3CCSCC3)[nH+]1)OCCN2 ZINC000647857131 385907421 /nfs/dbraw/zinc/90/74/21/385907421.db2.gz CKCVEHQXTHXUIN-UHFFFAOYSA-N 1 2 238.316 0.834 20 0 BCADLO COC[C@H](C)[N@H+](C)Cc1nccnc1OC ZINC000294892603 385911069 /nfs/dbraw/zinc/91/10/69/385911069.db2.gz RNXGFINPROSEGD-VIFPVBQESA-N 1 2 225.292 0.952 20 0 BCADLO COC[C@H](C)[N@@H+](C)Cc1nccnc1OC ZINC000294892603 385911073 /nfs/dbraw/zinc/91/10/73/385911073.db2.gz RNXGFINPROSEGD-VIFPVBQESA-N 1 2 225.292 0.952 20 0 BCADLO CNS(=O)(=O)NCCCc1cccc(C)[nH+]1 ZINC000285267705 385911727 /nfs/dbraw/zinc/91/17/27/385911727.db2.gz JJUKXGOOERPNOE-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO Nc1ccnc(C[N@H+](CCO)C2CC2)n1 ZINC000122332785 385913468 /nfs/dbraw/zinc/91/34/68/385913468.db2.gz OCQLQHXUZAKMJY-UHFFFAOYSA-N 1 2 208.265 0.016 20 0 BCADLO Nc1ccnc(C[N@@H+](CCO)C2CC2)n1 ZINC000122332785 385913473 /nfs/dbraw/zinc/91/34/73/385913473.db2.gz OCQLQHXUZAKMJY-UHFFFAOYSA-N 1 2 208.265 0.016 20 0 BCADLO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331771400 385919601 /nfs/dbraw/zinc/91/96/01/385919601.db2.gz LSGWIOKDADOMLC-BWVDBABLSA-N 1 2 240.307 0.659 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccn(C)n2)c[nH+]1 ZINC000335033955 385923088 /nfs/dbraw/zinc/92/30/88/385923088.db2.gz GZTOTWLTJCLLLJ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000338208670 385926145 /nfs/dbraw/zinc/92/61/45/385926145.db2.gz QZNGKRPUPCPNTP-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285459839 385927275 /nfs/dbraw/zinc/92/72/75/385927275.db2.gz JRZHASDAGVMAAP-QMMMGPOBSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285459839 385927282 /nfs/dbraw/zinc/92/72/82/385927282.db2.gz JRZHASDAGVMAAP-QMMMGPOBSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284303319 385861048 /nfs/dbraw/zinc/86/10/48/385861048.db2.gz GTTKFRYESDBAIY-DWNUIHGBSA-N 1 2 221.260 0.717 20 0 BCADLO C[C@H](O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000271936455 385861065 /nfs/dbraw/zinc/86/10/65/385861065.db2.gz NIEOTUHIIBOMAA-VHSXEESVSA-N 1 2 235.287 0.157 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2[nH]ncc2C)CC1 ZINC000284328175 385861429 /nfs/dbraw/zinc/86/14/29/385861429.db2.gz WWJIUWXMJFSBRA-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2[nH]ncc2C)CC1 ZINC000284328175 385861432 /nfs/dbraw/zinc/86/14/32/385861432.db2.gz WWJIUWXMJFSBRA-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2n[nH]cc2C)CC1 ZINC000284328175 385861435 /nfs/dbraw/zinc/86/14/35/385861435.db2.gz WWJIUWXMJFSBRA-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2n[nH]cc2C)CC1 ZINC000284328175 385861439 /nfs/dbraw/zinc/86/14/39/385861439.db2.gz WWJIUWXMJFSBRA-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000414586041 385865708 /nfs/dbraw/zinc/86/57/08/385865708.db2.gz OGFLFIQAVKMXQC-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000414586041 385865711 /nfs/dbraw/zinc/86/57/11/385865711.db2.gz OGFLFIQAVKMXQC-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)n[nH]1 ZINC000647809070 385867316 /nfs/dbraw/zinc/86/73/16/385867316.db2.gz MZMCVRXRJLEJJB-MRVPVSSYSA-N 1 2 233.275 0.861 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]n1 ZINC000647809070 385867320 /nfs/dbraw/zinc/86/73/20/385867320.db2.gz MZMCVRXRJLEJJB-MRVPVSSYSA-N 1 2 233.275 0.861 20 0 BCADLO CC[C@@H](C)C[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000336725950 385870547 /nfs/dbraw/zinc/87/05/47/385870547.db2.gz GOJLLTSTNKGTER-KOLCDFICSA-N 1 2 215.293 0.954 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC000294583205 385870590 /nfs/dbraw/zinc/87/05/90/385870590.db2.gz YUIYTMJPETZPRA-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H](C)CCO)[nH+]cn1 ZINC000294583205 385870593 /nfs/dbraw/zinc/87/05/93/385870593.db2.gz YUIYTMJPETZPRA-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735078 385872816 /nfs/dbraw/zinc/87/28/16/385872816.db2.gz QLZOJXCCCUFGSN-LDYMZIIASA-N 1 2 235.287 0.719 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735078 385872820 /nfs/dbraw/zinc/87/28/20/385872820.db2.gz QLZOJXCCCUFGSN-LDYMZIIASA-N 1 2 235.287 0.719 20 0 BCADLO Cn1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000338022562 385875057 /nfs/dbraw/zinc/87/50/57/385875057.db2.gz FYZHIQAUTOJQGQ-UHFFFAOYSA-N 1 2 219.248 0.645 20 0 BCADLO Cc1nc(CN2CCn3c[nH+]cc3C2)no1 ZINC000647940686 385879569 /nfs/dbraw/zinc/87/95/69/385879569.db2.gz RJOQDJRAORHACZ-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647920658 385880961 /nfs/dbraw/zinc/88/09/61/385880961.db2.gz JIXPUDUTCWYPRY-CGYDSVCVSA-N 1 2 243.270 0.647 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CC(=O)N[C@H](C)C1 ZINC000295146959 385977446 /nfs/dbraw/zinc/97/74/46/385977446.db2.gz ALCQQFPACJMEJD-SNVBAGLBSA-N 1 2 236.319 0.784 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000338366725 385979478 /nfs/dbraw/zinc/97/94/78/385979478.db2.gz DFLHSNXODFIRLV-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000338366725 385979486 /nfs/dbraw/zinc/97/94/86/385979486.db2.gz DFLHSNXODFIRLV-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO C[C@H](O)C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000189266459 385979661 /nfs/dbraw/zinc/97/96/61/385979661.db2.gz CHAAQMKEBGIQLL-IUCAKERBSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ncn(C)n1 ZINC000336769507 385982001 /nfs/dbraw/zinc/98/20/01/385982001.db2.gz VQFGYYOAAZBADX-CIUDSAMLSA-N 1 2 210.281 0.643 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338382697 385982736 /nfs/dbraw/zinc/98/27/36/385982736.db2.gz OAQMXKXROYAEAV-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338382697 385982739 /nfs/dbraw/zinc/98/27/39/385982739.db2.gz OAQMXKXROYAEAV-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000251669250 385989672 /nfs/dbraw/zinc/98/96/72/385989672.db2.gz ILCCDJFQJDMORX-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000251669250 385989676 /nfs/dbraw/zinc/98/96/76/385989676.db2.gz ILCCDJFQJDMORX-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1COC[C@H]1O ZINC000285587526 385947995 /nfs/dbraw/zinc/94/79/95/385947995.db2.gz ORXUYHCRPJTCNA-NXEZZACHSA-N 1 2 238.287 0.744 20 0 BCADLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1COC[C@H]1O ZINC000285587526 385948001 /nfs/dbraw/zinc/94/80/01/385948001.db2.gz ORXUYHCRPJTCNA-NXEZZACHSA-N 1 2 238.287 0.744 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CN1C ZINC000335051886 385948536 /nfs/dbraw/zinc/94/85/36/385948536.db2.gz LPZGRDBXCBYXLC-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CN1C ZINC000335051886 385948540 /nfs/dbraw/zinc/94/85/40/385948540.db2.gz LPZGRDBXCBYXLC-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCCOC1 ZINC000272918359 385949229 /nfs/dbraw/zinc/94/92/29/385949229.db2.gz GKSDJWHBQRZMLP-LBPRGKRZSA-N 1 2 237.303 0.853 20 0 BCADLO C[C@H]1COc2ccccc2C[N@@H+]1CC(N)=O ZINC000272910500 385949896 /nfs/dbraw/zinc/94/98/96/385949896.db2.gz HLYJRJXDJBHARQ-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO C[C@H]1COc2ccccc2C[N@H+]1CC(N)=O ZINC000272910500 385949905 /nfs/dbraw/zinc/94/99/05/385949905.db2.gz HLYJRJXDJBHARQ-VIFPVBQESA-N 1 2 220.272 0.755 20 0 BCADLO O=C1NCCC[C@@H]1SCC[NH+]1CCOCC1 ZINC000342169552 385950889 /nfs/dbraw/zinc/95/08/89/385950889.db2.gz GYWDAOLQYCEKTL-JTQLQIEISA-N 1 2 244.360 0.330 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccoc1 ZINC000345096404 385993608 /nfs/dbraw/zinc/99/36/08/385993608.db2.gz NFJNQQLPADCRCN-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccoc1 ZINC000345096404 385993610 /nfs/dbraw/zinc/99/36/10/385993610.db2.gz NFJNQQLPADCRCN-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO CC/C=C/CC[N@H+](C)Cc1nnnn1C ZINC000342202998 385955412 /nfs/dbraw/zinc/95/54/12/385955412.db2.gz DSVUNYIBHJEWDI-AATRIKPKSA-N 1 2 209.297 0.998 20 0 BCADLO CC/C=C/CC[N@@H+](C)Cc1nnnn1C ZINC000342202998 385955417 /nfs/dbraw/zinc/95/54/17/385955417.db2.gz DSVUNYIBHJEWDI-AATRIKPKSA-N 1 2 209.297 0.998 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058584 385958495 /nfs/dbraw/zinc/95/84/95/385958495.db2.gz ZQPFRQXBSMIQEN-ONGXEEELSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058584 385958499 /nfs/dbraw/zinc/95/84/99/385958499.db2.gz ZQPFRQXBSMIQEN-ONGXEEELSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058556 385958777 /nfs/dbraw/zinc/95/87/77/385958777.db2.gz ZQPFRQXBSMIQEN-KOLCDFICSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058556 385958781 /nfs/dbraw/zinc/95/87/81/385958781.db2.gz ZQPFRQXBSMIQEN-KOLCDFICSA-N 1 2 236.315 0.661 20 0 BCADLO Cc1cc(NCc2n[nH]c(=O)[nH]2)cc[nH+]1 ZINC000336742293 385961667 /nfs/dbraw/zinc/96/16/67/385961667.db2.gz WSEVDLMUKYFJBX-UHFFFAOYSA-N 1 2 205.221 0.248 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643463 385997231 /nfs/dbraw/zinc/99/72/31/385997231.db2.gz QVOQPZMEPOOURG-ZJUUUORDSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643463 385997242 /nfs/dbraw/zinc/99/72/42/385997242.db2.gz QVOQPZMEPOOURG-ZJUUUORDSA-N 1 2 243.351 0.310 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000189415519 385998413 /nfs/dbraw/zinc/99/84/13/385998413.db2.gz KXUKWKUBEDVZCU-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H](C)CCO)c[nH+]1 ZINC000295263315 386003050 /nfs/dbraw/zinc/00/30/50/386003050.db2.gz BFSTWISVILSQHZ-MRVPVSSYSA-N 1 2 225.292 0.857 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(CCO)nn1 ZINC000309297674 386004014 /nfs/dbraw/zinc/00/40/14/386004014.db2.gz XKMGCGNDFGHEMU-UHFFFAOYSA-N 1 2 218.260 0.565 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CN1C ZINC000335067226 386009114 /nfs/dbraw/zinc/00/91/14/386009114.db2.gz QXBYPTLTUWVAFB-QWRGUYRKSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CN1C ZINC000335067226 386009121 /nfs/dbraw/zinc/00/91/21/386009121.db2.gz QXBYPTLTUWVAFB-QWRGUYRKSA-N 1 2 239.363 0.632 20 0 BCADLO CC(C)n1cc[nH+]c1CN(C)[C@@H]1CCNC1=O ZINC000340223411 386009531 /nfs/dbraw/zinc/00/95/31/386009531.db2.gz REPNAVKARRAQIR-SNVBAGLBSA-N 1 2 236.319 0.784 20 0 BCADLO CC[C@H]([NH2+]CCSCC(=O)OC)C(=O)OC ZINC000336727778 386014419 /nfs/dbraw/zinc/01/44/19/386014419.db2.gz GRMPRVCLBDUHIL-QMMMGPOBSA-N 1 2 249.332 0.434 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000286255929 386015306 /nfs/dbraw/zinc/01/53/06/386015306.db2.gz JBUYMCUVXJNRIB-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1COC[C@H]1O ZINC000286265774 386016214 /nfs/dbraw/zinc/01/62/14/386016214.db2.gz HAAFVDOGPLKHIW-NXEZZACHSA-N 1 2 235.287 0.550 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338584332 386056728 /nfs/dbraw/zinc/05/67/28/386056728.db2.gz BKSFIVJQBWWAAO-GFCCVEGCSA-N 1 2 244.310 0.261 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338584332 386056734 /nfs/dbraw/zinc/05/67/34/386056734.db2.gz BKSFIVJQBWWAAO-GFCCVEGCSA-N 1 2 244.310 0.261 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](O)C(F)F ZINC000295409765 386025246 /nfs/dbraw/zinc/02/52/46/386025246.db2.gz HUQUPOKVXCRPOW-HTRCEHHLSA-N 1 2 247.245 0.853 20 0 BCADLO C[N@H+](Cc1cn2cccnc2n1)[C@H]1CCNC1=O ZINC000340225512 386026512 /nfs/dbraw/zinc/02/65/12/386026512.db2.gz KQKKRXRTVZEWRL-JTQLQIEISA-N 1 2 245.286 0.050 20 0 BCADLO C[N@@H+](Cc1cn2cccnc2n1)[C@H]1CCNC1=O ZINC000340225512 386026518 /nfs/dbraw/zinc/02/65/18/386026518.db2.gz KQKKRXRTVZEWRL-JTQLQIEISA-N 1 2 245.286 0.050 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)on1 ZINC000340227183 386032783 /nfs/dbraw/zinc/03/27/83/386032783.db2.gz ZRBUTXOEXNHKKH-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)on1 ZINC000340227183 386032788 /nfs/dbraw/zinc/03/27/88/386032788.db2.gz ZRBUTXOEXNHKKH-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000334428507 386036629 /nfs/dbraw/zinc/03/66/29/386036629.db2.gz SNNIXNRTPBKWJF-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO Cn1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000274415516 386100954 /nfs/dbraw/zinc/10/09/54/386100954.db2.gz MUCZOPLFFGPSFI-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000274415516 386100961 /nfs/dbraw/zinc/10/09/61/386100961.db2.gz MUCZOPLFFGPSFI-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cc1cc(NC(=O)CCCCC(N)=O)cc[nH+]1 ZINC000338717682 386114468 /nfs/dbraw/zinc/11/44/68/386114468.db2.gz ZXPLTUMGFDBJNM-UHFFFAOYSA-N 1 2 235.287 0.796 20 0 BCADLO Cc1noc(C[NH2+]C[C@H](O)COC(C)C)n1 ZINC000038034922 386114917 /nfs/dbraw/zinc/11/49/17/386114917.db2.gz VTNWRIKSRRNWBR-VIFPVBQESA-N 1 2 229.280 0.254 20 0 BCADLO COC(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451617392 386120096 /nfs/dbraw/zinc/12/00/96/386120096.db2.gz XUSTXGMZVABUKH-JQWIXIFHSA-N 1 2 227.304 0.546 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334461579 386120238 /nfs/dbraw/zinc/12/02/38/386120238.db2.gz PBOWLTPBHZNHNM-GFCCVEGCSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334461579 386120245 /nfs/dbraw/zinc/12/02/45/386120245.db2.gz PBOWLTPBHZNHNM-GFCCVEGCSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000336729488 386120672 /nfs/dbraw/zinc/12/06/72/386120672.db2.gz DDKCQYZEIPSBEF-NKWVEPMBSA-N 1 2 242.348 0.974 20 0 BCADLO C[C@@](O)(C[N@@H+]1CC[C@@](F)(CO)C1)C(F)(F)F ZINC000338593312 386066177 /nfs/dbraw/zinc/06/61/77/386066177.db2.gz JCZHGOMWRRYZQV-SFYZADRCSA-N 1 2 245.216 0.706 20 0 BCADLO C[C@@](O)(C[N@H+]1CC[C@@](F)(CO)C1)C(F)(F)F ZINC000338593312 386066183 /nfs/dbraw/zinc/06/61/83/386066183.db2.gz JCZHGOMWRRYZQV-SFYZADRCSA-N 1 2 245.216 0.706 20 0 BCADLO COc1ncccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338591127 386066504 /nfs/dbraw/zinc/06/65/04/386066504.db2.gz AUJAXSXRTSDSLW-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ncccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338591127 386066508 /nfs/dbraw/zinc/06/65/08/386066508.db2.gz AUJAXSXRTSDSLW-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000338592342 386067763 /nfs/dbraw/zinc/06/77/63/386067763.db2.gz LKMRJNFMLUFNEW-MRVPVSSYSA-N 1 2 227.312 0.241 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000338592342 386067768 /nfs/dbraw/zinc/06/77/68/386067768.db2.gz LKMRJNFMLUFNEW-MRVPVSSYSA-N 1 2 227.312 0.241 20 0 BCADLO C(CN1CCOCC12CC2)C[NH+]1CCOCC1 ZINC000338594381 386069593 /nfs/dbraw/zinc/06/95/93/386069593.db2.gz YNJKUYDTELOPTO-UHFFFAOYSA-N 1 2 240.347 0.574 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593662 386070255 /nfs/dbraw/zinc/07/02/55/386070255.db2.gz TVLGUSHULHEHKF-SKDRFNHKSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593662 386070260 /nfs/dbraw/zinc/07/02/60/386070260.db2.gz TVLGUSHULHEHKF-SKDRFNHKSA-N 1 2 246.326 0.696 20 0 BCADLO CC(C)(C)OC(=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000274092727 386070490 /nfs/dbraw/zinc/07/04/90/386070490.db2.gz QLRMTCXMOTXPPP-UHFFFAOYSA-N 1 2 225.248 0.368 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCOCC12CC2 ZINC000335060221 386071554 /nfs/dbraw/zinc/07/15/54/386071554.db2.gz YTVDYHKGQBYFRP-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCOCC12CC2 ZINC000335060221 386071556 /nfs/dbraw/zinc/07/15/56/386071556.db2.gz YTVDYHKGQBYFRP-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(c1ccc[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366098900 386072133 /nfs/dbraw/zinc/07/21/33/386072133.db2.gz XLSPIAIWQDBQDJ-LLVKDONJSA-N 1 2 249.314 0.561 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622365 386074538 /nfs/dbraw/zinc/07/45/38/386074538.db2.gz BNNVPUVQYBONDR-PWSUYJOCSA-N 1 2 246.326 0.648 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622365 386074541 /nfs/dbraw/zinc/07/45/41/386074541.db2.gz BNNVPUVQYBONDR-PWSUYJOCSA-N 1 2 246.326 0.648 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622844 386074933 /nfs/dbraw/zinc/07/49/33/386074933.db2.gz FPVZTGOAUMTIGU-KOLCDFICSA-N 1 2 231.267 0.344 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622844 386074937 /nfs/dbraw/zinc/07/49/37/386074937.db2.gz FPVZTGOAUMTIGU-KOLCDFICSA-N 1 2 231.267 0.344 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@](F)(CO)C1 ZINC000338623488 386075567 /nfs/dbraw/zinc/07/55/67/386075567.db2.gz HKBWQSIUXMVWJQ-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO O=C(C[N@H+]1CCC[C@@](F)(CO)C1)N1CCC1 ZINC000335959373 386079833 /nfs/dbraw/zinc/07/98/33/386079833.db2.gz RBAPGBAHFXKUQI-NSHDSACASA-N 1 2 230.283 0.015 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@](F)(CO)C1)N1CCC1 ZINC000335959373 386079844 /nfs/dbraw/zinc/07/98/44/386079844.db2.gz RBAPGBAHFXKUQI-NSHDSACASA-N 1 2 230.283 0.015 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189721103 386081432 /nfs/dbraw/zinc/08/14/32/386081432.db2.gz XIHABCDCYBTQGP-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189721103 386081437 /nfs/dbraw/zinc/08/14/37/386081437.db2.gz XIHABCDCYBTQGP-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627222 386082468 /nfs/dbraw/zinc/08/24/68/386082468.db2.gz QHBSOYVUAJYIGA-LDYMZIIASA-N 1 2 230.283 0.060 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627222 386082476 /nfs/dbraw/zinc/08/24/76/386082476.db2.gz QHBSOYVUAJYIGA-LDYMZIIASA-N 1 2 230.283 0.060 20 0 BCADLO Cc1[nH]c(C(=O)NCC(F)(F)CO)c[nH+]1 ZINC000274237561 386085647 /nfs/dbraw/zinc/08/56/47/386085647.db2.gz GNHTYSKTSHFKBX-UHFFFAOYSA-N 1 2 219.191 0.076 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286942955 386087077 /nfs/dbraw/zinc/08/70/77/386087077.db2.gz NXKJUXFDDFJDKL-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286942955 386087081 /nfs/dbraw/zinc/08/70/81/386087081.db2.gz NXKJUXFDDFJDKL-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCO[C@H]2C[C@H]21 ZINC000366112287 386088249 /nfs/dbraw/zinc/08/82/49/386088249.db2.gz OYLUQHPGAKENAQ-BDAKNGLRSA-N 1 2 231.259 0.341 20 0 BCADLO Cc1[nH+]ccn1CCN1CC[N@@H+](C)C[C@@H]1C ZINC000334451042 386088973 /nfs/dbraw/zinc/08/89/73/386088973.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 1 2 222.336 0.827 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287723540 386144376 /nfs/dbraw/zinc/14/43/76/386144376.db2.gz DYDLREIVAPEGLU-VMZHVLLKSA-N 1 2 237.303 0.786 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000440776041 386146966 /nfs/dbraw/zinc/14/69/66/386146966.db2.gz PJWCDJPYXLSPBC-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@@H]1CC ZINC000440776041 386146968 /nfs/dbraw/zinc/14/69/68/386146968.db2.gz PJWCDJPYXLSPBC-BDAKNGLRSA-N 1 2 202.273 0.945 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190088202 386147028 /nfs/dbraw/zinc/14/70/28/386147028.db2.gz AQHBNGAMRWEPED-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190088202 386147031 /nfs/dbraw/zinc/14/70/31/386147031.db2.gz AQHBNGAMRWEPED-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CCCO1 ZINC000310152173 386148773 /nfs/dbraw/zinc/14/87/73/386148773.db2.gz HSKZCTYGLHXGIA-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)CCCO1 ZINC000310152173 386148779 /nfs/dbraw/zinc/14/87/79/386148779.db2.gz HSKZCTYGLHXGIA-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO Cc1ccc([C@H](O)C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000296206823 386150476 /nfs/dbraw/zinc/15/04/76/386150476.db2.gz NCHVJUFMSOXZJL-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccc([C@H](O)C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000296206823 386150481 /nfs/dbraw/zinc/15/04/81/386150481.db2.gz NCHVJUFMSOXZJL-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO CC[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(=O)OC ZINC000338817920 386152140 /nfs/dbraw/zinc/15/21/40/386152140.db2.gz VVPOVMLQVCDAII-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](CO)O1 ZINC000190098636 386152311 /nfs/dbraw/zinc/15/23/11/386152311.db2.gz QXWPCFNHAZARIX-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](CO)O1 ZINC000190098636 386152318 /nfs/dbraw/zinc/15/23/18/386152318.db2.gz QXWPCFNHAZARIX-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[nH]n1 ZINC000335157778 386152553 /nfs/dbraw/zinc/15/25/53/386152553.db2.gz GVRMFCHVDOESRU-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[nH]n1 ZINC000335157778 386152555 /nfs/dbraw/zinc/15/25/55/386152555.db2.gz GVRMFCHVDOESRU-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(F)cn1 ZINC000164607656 386156431 /nfs/dbraw/zinc/15/64/31/386156431.db2.gz LHDCDCLLHLZGKN-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(F)cn1 ZINC000164607656 386156433 /nfs/dbraw/zinc/15/64/33/386156433.db2.gz LHDCDCLLHLZGKN-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO CCC1(C(=O)N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)CC1 ZINC000366167744 386160714 /nfs/dbraw/zinc/16/07/14/386160714.db2.gz CNVFPDZKUYSARF-DTWKUNHWSA-N 1 2 240.303 0.196 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000296330720 386164827 /nfs/dbraw/zinc/16/48/27/386164827.db2.gz USVICWJUYYAYSX-JTQLQIEISA-N 1 2 236.319 0.320 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000296330720 386164832 /nfs/dbraw/zinc/16/48/32/386164832.db2.gz USVICWJUYYAYSX-JTQLQIEISA-N 1 2 236.319 0.320 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)C1(O)CCC1 ZINC000274936285 386164888 /nfs/dbraw/zinc/16/48/88/386164888.db2.gz MKILKJGMMJCNIC-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO Cc1nc(NCCc2cnn(C)c2)nc(N)[nH+]1 ZINC000310254468 386165741 /nfs/dbraw/zinc/16/57/41/386165741.db2.gz OVUXUIHRVFDWAD-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO Cc1nc(N)nc(NCCc2cnn(C)c2)[nH+]1 ZINC000310254468 386165744 /nfs/dbraw/zinc/16/57/44/386165744.db2.gz OVUXUIHRVFDWAD-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631237663 386167308 /nfs/dbraw/zinc/16/73/08/386167308.db2.gz AKRKYHWRKOYUKY-VGMNWLOBSA-N 1 2 223.276 0.839 20 0 BCADLO Cc1nc(N(C)Cc2cccnc2)nc(N)[nH+]1 ZINC000310249907 386169302 /nfs/dbraw/zinc/16/93/02/386169302.db2.gz NVSKMPQJODHMNQ-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2cccnc2)[nH+]1 ZINC000310249907 386169307 /nfs/dbraw/zinc/16/93/07/386169307.db2.gz NVSKMPQJODHMNQ-UHFFFAOYSA-N 1 2 230.275 0.794 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000408349623 386172111 /nfs/dbraw/zinc/17/21/11/386172111.db2.gz LATHJBMVRVLQBT-GZMMTYOYSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@](C)(O)C1 ZINC000408349623 386172114 /nfs/dbraw/zinc/17/21/14/386172114.db2.gz LATHJBMVRVLQBT-GZMMTYOYSA-N 1 2 237.307 0.526 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(C(C)=O)nn1 ZINC000310333844 386174713 /nfs/dbraw/zinc/17/47/13/386174713.db2.gz KTOUGOVMIULCRC-UHFFFAOYSA-N 1 2 232.243 0.933 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)n[nH]1 ZINC000425483558 386174856 /nfs/dbraw/zinc/17/48/56/386174856.db2.gz RHXHIUCGKUWMPH-LLVKDONJSA-N 1 2 237.351 0.885 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccno1 ZINC000263802713 386176935 /nfs/dbraw/zinc/17/69/35/386176935.db2.gz QUJVFGCHTJSYDB-UHFFFAOYSA-N 1 2 209.249 0.385 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccno1 ZINC000263802713 386176947 /nfs/dbraw/zinc/17/69/47/386176947.db2.gz QUJVFGCHTJSYDB-UHFFFAOYSA-N 1 2 209.249 0.385 20 0 BCADLO CC(C)=CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288369481 386191270 /nfs/dbraw/zinc/19/12/70/386191270.db2.gz OPLBSYBCTVXNFE-JTQLQIEISA-N 1 2 248.286 0.839 20 0 BCADLO CC(C)=CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288369481 386191277 /nfs/dbraw/zinc/19/12/77/386191277.db2.gz OPLBSYBCTVXNFE-JTQLQIEISA-N 1 2 248.286 0.839 20 0 BCADLO C[C@H](CNC(=O)c1ccncn1)Cn1cc[nH+]c1 ZINC000275161796 386187555 /nfs/dbraw/zinc/18/75/55/386187555.db2.gz QLLJRWORJRJEEX-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000190505537 386188506 /nfs/dbraw/zinc/18/85/06/386188506.db2.gz DSAHCIOYURTCMK-CMPLNLGQSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190505537 386188511 /nfs/dbraw/zinc/18/85/11/386188511.db2.gz DSAHCIOYURTCMK-CMPLNLGQSA-N 1 2 240.347 0.748 20 0 BCADLO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)OC)C1(C)C ZINC000189971413 386127942 /nfs/dbraw/zinc/12/79/42/386127942.db2.gz WCCSZAQXMKVXKZ-BXKDBHETSA-N 1 2 245.319 0.315 20 0 BCADLO Cn1cc[nH+]c1CN(C1CC1)C1COC1 ZINC000296086404 386134192 /nfs/dbraw/zinc/13/41/92/386134192.db2.gz QWGSGJBKWAFQSA-UHFFFAOYSA-N 1 2 207.277 0.783 20 0 BCADLO C[C@@H](CNC(=O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC000274646280 386134487 /nfs/dbraw/zinc/13/44/87/386134487.db2.gz ARZZMPQGDQOODT-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO CO[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000224322276 386135434 /nfs/dbraw/zinc/13/54/34/386135434.db2.gz PHZXWYFUFLWTKL-SSDOTTSWSA-N 1 2 221.264 0.810 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000287696882 386143306 /nfs/dbraw/zinc/14/33/06/386143306.db2.gz UFIOFFYYAISDHU-IUCAKERBSA-N 1 2 228.271 0.929 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1(O)CCCC1 ZINC000264008447 386201638 /nfs/dbraw/zinc/20/16/38/386201638.db2.gz FBJQFHXJGRHTFG-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340282188 386202188 /nfs/dbraw/zinc/20/21/88/386202188.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340282188 386202191 /nfs/dbraw/zinc/20/21/91/386202191.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340282188 386202193 /nfs/dbraw/zinc/20/21/93/386202193.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340282188 386202198 /nfs/dbraw/zinc/20/21/98/386202198.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000340282188 386202204 /nfs/dbraw/zinc/20/22/04/386202204.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340282188 386202208 /nfs/dbraw/zinc/20/22/08/386202208.db2.gz BRLNUOQLNIQBEA-SNVBAGLBSA-N 1 2 237.307 0.153 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccncc1 ZINC000336162017 386261385 /nfs/dbraw/zinc/26/13/85/386261385.db2.gz JAAOXOWQPBHAAK-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO C[N@H+](CCn1cncn1)Cc1cscn1 ZINC000264163933 386212578 /nfs/dbraw/zinc/21/25/78/386212578.db2.gz YSWLOIDRFNBENK-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO C[N@@H+](CCn1cncn1)Cc1cscn1 ZINC000264163933 386212585 /nfs/dbraw/zinc/21/25/85/386212585.db2.gz YSWLOIDRFNBENK-UHFFFAOYSA-N 1 2 223.305 0.867 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCOC1 ZINC000264185826 386214496 /nfs/dbraw/zinc/21/44/96/386214496.db2.gz ABJGGPIVUVPEJE-SECBINFHSA-N 1 2 223.276 0.463 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000288581728 386217329 /nfs/dbraw/zinc/21/73/29/386217329.db2.gz LBXLWDMASWHDHN-SECBINFHSA-N 1 2 249.270 0.921 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccncc1 ZINC000336162017 386261388 /nfs/dbraw/zinc/26/13/88/386261388.db2.gz JAAOXOWQPBHAAK-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCOC1CCC1 ZINC000347040721 386225342 /nfs/dbraw/zinc/22/53/42/386225342.db2.gz AUQWAXNNLAHJGB-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCOC1CCC1 ZINC000347040721 386225347 /nfs/dbraw/zinc/22/53/47/386225347.db2.gz AUQWAXNNLAHJGB-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000264322180 386225766 /nfs/dbraw/zinc/22/57/66/386225766.db2.gz QMMMJSOVFVEOPW-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000264322181 386225843 /nfs/dbraw/zinc/22/58/43/386225843.db2.gz QMMMJSOVFVEOPW-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO CCO[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264323386 386226326 /nfs/dbraw/zinc/22/63/26/386226326.db2.gz QWTLXKWLWMOAAX-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000264322183 386227297 /nfs/dbraw/zinc/22/72/97/386227297.db2.gz QMMMJSOVFVEOPW-RKDXNWHRSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@H](O)CC[N@H+](C)[C@@H](C)c1nncn1C ZINC000347041841 386229551 /nfs/dbraw/zinc/22/95/51/386229551.db2.gz BOZAEPOPFVKWHO-IUCAKERBSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347041841 386229554 /nfs/dbraw/zinc/22/95/54/386229554.db2.gz BOZAEPOPFVKWHO-IUCAKERBSA-N 1 2 212.297 0.579 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(CO)CC2)n1C ZINC000190038396 386233728 /nfs/dbraw/zinc/23/37/28/386233728.db2.gz GQOIJOOPQUFBTC-UHFFFAOYSA-N 1 2 224.308 0.328 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(CO)CC2)n1C ZINC000190038396 386233738 /nfs/dbraw/zinc/23/37/38/386233738.db2.gz GQOIJOOPQUFBTC-UHFFFAOYSA-N 1 2 224.308 0.328 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071524 386239204 /nfs/dbraw/zinc/23/92/04/386239204.db2.gz RODVNIAGIUNXTI-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000452071524 386239207 /nfs/dbraw/zinc/23/92/07/386239207.db2.gz RODVNIAGIUNXTI-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336642945 386248206 /nfs/dbraw/zinc/24/82/06/386248206.db2.gz AGAREUCQRJOPHA-SNVBAGLBSA-N 1 2 226.320 0.454 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336642945 386248211 /nfs/dbraw/zinc/24/82/11/386248211.db2.gz AGAREUCQRJOPHA-SNVBAGLBSA-N 1 2 226.320 0.454 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)O ZINC000264557704 386248900 /nfs/dbraw/zinc/24/89/00/386248900.db2.gz QTDBUEBDHCCDNO-VIFPVBQESA-N 1 2 240.307 0.342 20 0 BCADLO Cc1nc(C[N@@H+](C)C2CCOCC2)no1 ZINC000336645884 386255574 /nfs/dbraw/zinc/25/55/74/386255574.db2.gz JFKISZQSKIJNQB-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nc(C[N@H+](C)C2CCOCC2)no1 ZINC000336645884 386255578 /nfs/dbraw/zinc/25/55/78/386255578.db2.gz JFKISZQSKIJNQB-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO Nc1nnc(CCNc2cc[nH+]c(C3CC3)n2)o1 ZINC000275989869 386257798 /nfs/dbraw/zinc/25/77/98/386257798.db2.gz GLNOGTSDIRBYIO-UHFFFAOYSA-N 1 2 246.274 0.974 20 0 BCADLO C[C@H](CO)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000347193613 386258575 /nfs/dbraw/zinc/25/85/75/386258575.db2.gz JHZVBNMMCLUBHB-MRVPVSSYSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000347193613 386258581 /nfs/dbraw/zinc/25/85/81/386258581.db2.gz JHZVBNMMCLUBHB-MRVPVSSYSA-N 1 2 240.307 0.636 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338998811 386198015 /nfs/dbraw/zinc/19/80/15/386198015.db2.gz FHFJPOXIEDCXIA-LLVKDONJSA-N 1 2 225.267 0.890 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338998811 386198017 /nfs/dbraw/zinc/19/80/17/386198017.db2.gz FHFJPOXIEDCXIA-LLVKDONJSA-N 1 2 225.267 0.890 20 0 BCADLO CCC(CC)C[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000191014592 386198185 /nfs/dbraw/zinc/19/81/85/386198185.db2.gz ZYGWESXIRIMCPV-WCBMZHEXSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)O ZINC000191017446 386198513 /nfs/dbraw/zinc/19/85/13/386198513.db2.gz QLMQXCNQXKCFGZ-OPRDCNLKSA-N 1 2 217.309 0.933 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347202372 386281502 /nfs/dbraw/zinc/28/15/02/386281502.db2.gz FAERAPQYZSEYAP-NXEZZACHSA-N 1 2 238.335 0.969 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347202372 386281509 /nfs/dbraw/zinc/28/15/09/386281509.db2.gz FAERAPQYZSEYAP-NXEZZACHSA-N 1 2 238.335 0.969 20 0 BCADLO COC(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264890533 386282431 /nfs/dbraw/zinc/28/24/31/386282431.db2.gz VDZDUWSYUBIKRY-UHFFFAOYSA-N 1 2 211.221 0.011 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@@H](C)O)C1 ZINC000425505091 386285338 /nfs/dbraw/zinc/28/53/38/386285338.db2.gz AKYVFZZCUXMYJH-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000425505091 386285345 /nfs/dbraw/zinc/28/53/45/386285345.db2.gz AKYVFZZCUXMYJH-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO Cn1cc(C[N@@H+]2CCSC[C@@H]2CCO)nn1 ZINC000336668555 386285583 /nfs/dbraw/zinc/28/55/83/386285583.db2.gz PFNUPSHEOAOBBV-JTQLQIEISA-N 1 2 242.348 0.115 20 0 BCADLO Cn1cc(C[N@H+]2CCSC[C@@H]2CCO)nn1 ZINC000336668555 386285587 /nfs/dbraw/zinc/28/55/87/386285587.db2.gz PFNUPSHEOAOBBV-JTQLQIEISA-N 1 2 242.348 0.115 20 0 BCADLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@H]1C ZINC000297953669 386288160 /nfs/dbraw/zinc/28/81/60/386288160.db2.gz WFMNRSDKCYZQHL-ZJUUUORDSA-N 1 2 222.292 0.933 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347292000 386294134 /nfs/dbraw/zinc/29/41/34/386294134.db2.gz UYAQMCHJDZAANO-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347292000 386294138 /nfs/dbraw/zinc/29/41/38/386294138.db2.gz UYAQMCHJDZAANO-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@H](C)COC)C1 ZINC000425508862 386294157 /nfs/dbraw/zinc/29/41/57/386294157.db2.gz IRYQHQYVIDLWSJ-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@H](C)COC)C1 ZINC000425508862 386294162 /nfs/dbraw/zinc/29/41/62/386294162.db2.gz IRYQHQYVIDLWSJ-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO CCC(=O)N1CC[N@H+](CCOCC2CC2)C1 ZINC000425509383 386296240 /nfs/dbraw/zinc/29/62/40/386296240.db2.gz JQUCPMQMFMITHE-UHFFFAOYSA-N 1 2 226.320 0.925 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCOCC2CC2)C1 ZINC000425509383 386296247 /nfs/dbraw/zinc/29/62/47/386296247.db2.gz JQUCPMQMFMITHE-UHFFFAOYSA-N 1 2 226.320 0.925 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@H]2CCCCO2)nn1 ZINC000336667636 386297807 /nfs/dbraw/zinc/29/78/07/386297807.db2.gz MKBUPPDAPMTDCY-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@H]2CCCCO2)nn1 ZINC000336667636 386297811 /nfs/dbraw/zinc/29/78/11/386297811.db2.gz MKBUPPDAPMTDCY-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](O)C1 ZINC000265020102 386297937 /nfs/dbraw/zinc/29/79/37/386297937.db2.gz IZWIPAQXLCZNLT-JGVFFNPUSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](O)C1 ZINC000265020102 386297942 /nfs/dbraw/zinc/29/79/42/386297942.db2.gz IZWIPAQXLCZNLT-JGVFFNPUSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000336661338 386300076 /nfs/dbraw/zinc/30/00/76/386300076.db2.gz HBASMKFWZYPHNZ-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000336661338 386300083 /nfs/dbraw/zinc/30/00/83/386300083.db2.gz HBASMKFWZYPHNZ-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO Cc1cc(C)n(CC[NH2+][C@]2(C)CCOC2=O)n1 ZINC000289416383 386301958 /nfs/dbraw/zinc/30/19/58/386301958.db2.gz BJPVYRZECPCCCR-GFCCVEGCSA-N 1 2 237.303 0.795 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)C1CC(O)C1 ZINC000347256608 386307919 /nfs/dbraw/zinc/30/79/19/386307919.db2.gz WLJZIMZPIMKSJZ-AFPNSQJFSA-N 1 2 210.281 0.331 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)C1CC(O)C1 ZINC000347256608 386307921 /nfs/dbraw/zinc/30/79/21/386307921.db2.gz WLJZIMZPIMKSJZ-AFPNSQJFSA-N 1 2 210.281 0.331 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](C)O ZINC000339221190 386308684 /nfs/dbraw/zinc/30/86/84/386308684.db2.gz XDPIYEXNZQWSGM-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)C[C@H](C)O ZINC000339221190 386308688 /nfs/dbraw/zinc/30/86/88/386308688.db2.gz XDPIYEXNZQWSGM-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(=O)OC)C1 ZINC000425519638 386309435 /nfs/dbraw/zinc/30/94/35/386309435.db2.gz PCNGKXFSWNTCTB-UHFFFAOYSA-N 1 2 214.265 0.061 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(=O)OC)C1 ZINC000425519638 386309440 /nfs/dbraw/zinc/30/94/40/386309440.db2.gz PCNGKXFSWNTCTB-UHFFFAOYSA-N 1 2 214.265 0.061 20 0 BCADLO O=C1C[N@H+](CCc2cccnc2)CCN1 ZINC000265147123 386310077 /nfs/dbraw/zinc/31/00/77/386310077.db2.gz RRXHDIZSDHXZHF-UHFFFAOYSA-N 1 2 205.261 0.056 20 0 BCADLO O=C1C[N@@H+](CCc2cccnc2)CCN1 ZINC000265147123 386310079 /nfs/dbraw/zinc/31/00/79/386310079.db2.gz RRXHDIZSDHXZHF-UHFFFAOYSA-N 1 2 205.261 0.056 20 0 BCADLO CC(C)COCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000336668732 386310702 /nfs/dbraw/zinc/31/07/02/386310702.db2.gz RMNZGFXXSZNXDP-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)COCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000336668732 386310705 /nfs/dbraw/zinc/31/07/05/386310705.db2.gz RMNZGFXXSZNXDP-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ncccc1C ZINC000276395123 386314030 /nfs/dbraw/zinc/31/40/30/386314030.db2.gz JFMOXZKCHCCPFC-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ncccc1C ZINC000276395123 386314036 /nfs/dbraw/zinc/31/40/36/386314036.db2.gz JFMOXZKCHCCPFC-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO Cc1nc(C(=O)N(C)Cc2[nH+]ccn2C)c[nH]1 ZINC000265182969 386316666 /nfs/dbraw/zinc/31/66/66/386316666.db2.gz NLJIDRDQCKGHRN-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO Cn1ccc(C[N@@H+]2CCSC[C@@H]2CCO)n1 ZINC000336674997 386320319 /nfs/dbraw/zinc/32/03/19/386320319.db2.gz LTGBOTUXHLIMKG-NSHDSACASA-N 1 2 241.360 0.720 20 0 BCADLO Cn1ccc(C[N@H+]2CCSC[C@@H]2CCO)n1 ZINC000336674997 386320323 /nfs/dbraw/zinc/32/03/23/386320323.db2.gz LTGBOTUXHLIMKG-NSHDSACASA-N 1 2 241.360 0.720 20 0 BCADLO CSC[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000336675126 386321673 /nfs/dbraw/zinc/32/16/73/386321673.db2.gz PGSLTBMPKHWDIG-VIFPVBQESA-N 1 2 241.364 0.785 20 0 BCADLO CSC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336675126 386321679 /nfs/dbraw/zinc/32/16/79/386321679.db2.gz PGSLTBMPKHWDIG-VIFPVBQESA-N 1 2 241.364 0.785 20 0 BCADLO OCCC[N@H+](CCO)Cc1nccs1 ZINC000125512122 386262374 /nfs/dbraw/zinc/26/23/74/386262374.db2.gz CRJOMYLPMNZIHM-UHFFFAOYSA-N 1 2 216.306 0.320 20 0 BCADLO OCCC[N@@H+](CCO)Cc1nccs1 ZINC000125512122 386262376 /nfs/dbraw/zinc/26/23/76/386262376.db2.gz CRJOMYLPMNZIHM-UHFFFAOYSA-N 1 2 216.306 0.320 20 0 BCADLO Cc1nc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000336650899 386263774 /nfs/dbraw/zinc/26/37/74/386263774.db2.gz UGVZCHQJJJRASQ-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO C[C@@H](O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000276083636 386270905 /nfs/dbraw/zinc/27/09/05/386270905.db2.gz GRTGUZBWMYFCNX-BDAKNGLRSA-N 1 2 223.276 0.844 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC[C@H](C)O)C1 ZINC000425506662 386271174 /nfs/dbraw/zinc/27/11/74/386271174.db2.gz CWUBDSZDQCAWFY-JTQLQIEISA-N 1 2 214.309 0.659 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000425506662 386271183 /nfs/dbraw/zinc/27/11/83/386271183.db2.gz CWUBDSZDQCAWFY-JTQLQIEISA-N 1 2 214.309 0.659 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276541014 386340950 /nfs/dbraw/zinc/34/09/50/386340950.db2.gz GGTTWZDTRGRHDE-FSIBCCDJSA-N 1 2 245.286 0.824 20 0 BCADLO CCN(CCOC)C(=O)Cn1cc[nH+]c1 ZINC000298439803 386344569 /nfs/dbraw/zinc/34/45/69/386344569.db2.gz BUPJXFJTTWDLOQ-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cnccc1C ZINC000339364965 386386454 /nfs/dbraw/zinc/38/64/54/386386454.db2.gz VSOCTWPLBAVNSL-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cnccc1C ZINC000339364965 386386458 /nfs/dbraw/zinc/38/64/58/386386458.db2.gz VSOCTWPLBAVNSL-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO Cc1nonc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265594040 386350906 /nfs/dbraw/zinc/35/09/06/386350906.db2.gz KVERUJDHLUXZSK-ZETCQYMHSA-N 1 2 235.247 0.393 20 0 BCADLO C[N@H+](CCN1C(=O)CCC1=O)Cc1ccon1 ZINC000265745919 386365251 /nfs/dbraw/zinc/36/52/51/386365251.db2.gz DEWPZBWWJASDJS-UHFFFAOYSA-N 1 2 237.259 0.255 20 0 BCADLO C[N@@H+](CCN1C(=O)CCC1=O)Cc1ccon1 ZINC000265745919 386365254 /nfs/dbraw/zinc/36/52/54/386365254.db2.gz DEWPZBWWJASDJS-UHFFFAOYSA-N 1 2 237.259 0.255 20 0 BCADLO C[N@H+](CCOCCO)Cc1ccon1 ZINC000265755615 386365755 /nfs/dbraw/zinc/36/57/55/386365755.db2.gz GDGSEDFUEXFZLW-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO C[N@@H+](CCOCCO)Cc1ccon1 ZINC000265755615 386365760 /nfs/dbraw/zinc/36/57/60/386365760.db2.gz GDGSEDFUEXFZLW-UHFFFAOYSA-N 1 2 200.238 0.115 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000339363843 386386952 /nfs/dbraw/zinc/38/69/52/386386952.db2.gz RDQYZHRHHWMMAZ-SNVBAGLBSA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000339363843 386386957 /nfs/dbraw/zinc/38/69/57/386386957.db2.gz RDQYZHRHHWMMAZ-SNVBAGLBSA-N 1 2 241.266 0.153 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000298655478 386366429 /nfs/dbraw/zinc/36/64/29/386366429.db2.gz APDVELCOPOVORW-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](CNC(=O)CC1CC1)[NH+]1CCN(C)CC1 ZINC000339326003 386366596 /nfs/dbraw/zinc/36/65/96/386366596.db2.gz VVXMIMPKRZUYEE-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO O=C1C[N@H+](CCCc2ccncc2)CCN1 ZINC000347359998 386366748 /nfs/dbraw/zinc/36/67/48/386366748.db2.gz LWVWZHAVAQZBEE-UHFFFAOYSA-N 1 2 219.288 0.446 20 0 BCADLO O=C1C[N@@H+](CCCc2ccncc2)CCN1 ZINC000347359998 386366755 /nfs/dbraw/zinc/36/67/55/386366755.db2.gz LWVWZHAVAQZBEE-UHFFFAOYSA-N 1 2 219.288 0.446 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000339326568 386366950 /nfs/dbraw/zinc/36/69/50/386366950.db2.gz JEUUOPRMCXYOLE-VXGBXAGGSA-N 1 2 241.379 0.785 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCC1 ZINC000647933675 386368086 /nfs/dbraw/zinc/36/80/86/386368086.db2.gz XOPTUWZWNWDQQZ-UHFFFAOYSA-N 1 2 220.276 0.000 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H](O)Cn1cccn1 ZINC000265787269 386369327 /nfs/dbraw/zinc/36/93/27/386369327.db2.gz LPBFKMFIPONCGO-NSHDSACASA-N 1 2 236.275 0.364 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H](O)Cn1cccn1 ZINC000265787269 386369331 /nfs/dbraw/zinc/36/93/31/386369331.db2.gz LPBFKMFIPONCGO-NSHDSACASA-N 1 2 236.275 0.364 20 0 BCADLO C[C@H](CNC(=O)[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000265798821 386370972 /nfs/dbraw/zinc/37/09/72/386370972.db2.gz JZWNNWXBBDZVNB-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000276783181 386375376 /nfs/dbraw/zinc/37/53/76/386375376.db2.gz PWJUWDQQIJCRDJ-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@@H]1OC ZINC000336696243 386375575 /nfs/dbraw/zinc/37/55/75/386375575.db2.gz QNYBQSHTLSAPPT-TXEJJXNPSA-N 1 2 239.319 0.574 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@@H]1OC ZINC000336696243 386375579 /nfs/dbraw/zinc/37/55/79/386375579.db2.gz QNYBQSHTLSAPPT-TXEJJXNPSA-N 1 2 239.319 0.574 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347384035 386377472 /nfs/dbraw/zinc/37/74/72/386377472.db2.gz WHUKQQKSZNFUHI-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347384035 386377474 /nfs/dbraw/zinc/37/74/74/386377474.db2.gz WHUKQQKSZNFUHI-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO C[C@@H](CNC(=O)c1ccnn1C)Cn1cc[nH+]c1 ZINC000265865437 386378015 /nfs/dbraw/zinc/37/80/15/386378015.db2.gz XOJPRSJGXBSZSY-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO O=C1CNC(=O)N1CCc1cn2ccccc2[nH+]1 ZINC000298744780 386379465 /nfs/dbraw/zinc/37/94/65/386379465.db2.gz DFXIXHTVVURWFP-UHFFFAOYSA-N 1 2 244.254 0.429 20 0 BCADLO C[N@H+](CC(N)=O)[C@H]1CCc2ccccc2NC1=O ZINC000276818141 386380982 /nfs/dbraw/zinc/38/09/82/386380982.db2.gz PAKBHYDTQWIAAC-NSHDSACASA-N 1 2 247.298 0.357 20 0 BCADLO C[N@@H+](CC(N)=O)[C@H]1CCc2ccccc2NC1=O ZINC000276818141 386380987 /nfs/dbraw/zinc/38/09/87/386380987.db2.gz PAKBHYDTQWIAAC-NSHDSACASA-N 1 2 247.298 0.357 20 0 BCADLO Cc1ccn2cc(CNC(=O)CC(N)=O)[nH+]c2c1 ZINC000265876759 386381513 /nfs/dbraw/zinc/38/15/13/386381513.db2.gz ZXNFCRNIUKQJRQ-UHFFFAOYSA-N 1 2 246.270 0.134 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000336698479 386382121 /nfs/dbraw/zinc/38/21/21/386382121.db2.gz RJJQFMGDLNTPFL-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336698479 386382126 /nfs/dbraw/zinc/38/21/26/386382126.db2.gz RJJQFMGDLNTPFL-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](O)COC(C)C)C1 ZINC000425523730 386325671 /nfs/dbraw/zinc/32/56/71/386325671.db2.gz ZSSMYQCPOKDVEO-NSHDSACASA-N 1 2 244.335 0.284 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000425523730 386325679 /nfs/dbraw/zinc/32/56/79/386325679.db2.gz ZSSMYQCPOKDVEO-NSHDSACASA-N 1 2 244.335 0.284 20 0 BCADLO OC[C@]1(F)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000347332344 386329618 /nfs/dbraw/zinc/32/96/18/386329618.db2.gz HJLDHHFJZZUWIX-SFYZADRCSA-N 1 2 245.216 0.706 20 0 BCADLO OC[C@]1(F)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000347332344 386329624 /nfs/dbraw/zinc/32/96/24/386329624.db2.gz HJLDHHFJZZUWIX-SFYZADRCSA-N 1 2 245.216 0.706 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000645396936 386329917 /nfs/dbraw/zinc/32/99/17/386329917.db2.gz INWGADMTWZZXKS-MRVPVSSYSA-N 1 2 235.291 0.167 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000645396947 386330131 /nfs/dbraw/zinc/33/01/31/386330131.db2.gz INWGADMTWZZXKS-QMMMGPOBSA-N 1 2 235.291 0.167 20 0 BCADLO CCC(O)(CC)CCNC(=O)Cn1cc[nH+]c1 ZINC000276481507 386330848 /nfs/dbraw/zinc/33/08/48/386330848.db2.gz QTSNLPCRMYGECV-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CCO[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000298380356 386332190 /nfs/dbraw/zinc/33/21/90/386332190.db2.gz BXRLFZJYSMHGEB-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccco3)C[C@H]12 ZINC000334490155 386334809 /nfs/dbraw/zinc/33/48/09/386334809.db2.gz FNDCOANJQVIKLW-SECBINFHSA-N 1 2 235.243 0.016 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccco3)C[C@H]12 ZINC000334490155 386334818 /nfs/dbraw/zinc/33/48/18/386334818.db2.gz FNDCOANJQVIKLW-SECBINFHSA-N 1 2 235.243 0.016 20 0 BCADLO C[C@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276503545 386335917 /nfs/dbraw/zinc/33/59/17/386335917.db2.gz JTRUYMJGXIRCKN-IUCAKERBSA-N 1 2 211.265 0.016 20 0 BCADLO CC[C@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000336681177 386336167 /nfs/dbraw/zinc/33/61/67/386336167.db2.gz ZOBUIKLTLRUCQG-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000336681177 386336175 /nfs/dbraw/zinc/33/61/75/386336175.db2.gz ZOBUIKLTLRUCQG-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)nn1C ZINC000336717326 386436882 /nfs/dbraw/zinc/43/68/82/386436882.db2.gz WFSDBFUGLCNLNY-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)nn1C ZINC000336717326 386436888 /nfs/dbraw/zinc/43/68/88/386436888.db2.gz WFSDBFUGLCNLNY-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO C[N@H+](Cc1cnns1)C1(C(N)=O)CCCC1 ZINC000290070839 386390040 /nfs/dbraw/zinc/39/00/40/386390040.db2.gz PZSCYBMSAGBYIQ-UHFFFAOYSA-N 1 2 240.332 0.768 20 0 BCADLO C[N@@H+](Cc1cnns1)C1(C(N)=O)CCCC1 ZINC000290070839 386390044 /nfs/dbraw/zinc/39/00/44/386390044.db2.gz PZSCYBMSAGBYIQ-UHFFFAOYSA-N 1 2 240.332 0.768 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000334496122 386390244 /nfs/dbraw/zinc/39/02/44/386390244.db2.gz IBEZPCKCBWGUMG-ONGXEEELSA-N 1 2 245.282 0.930 20 0 BCADLO O=C1NCCCC[C@@H]1N1CCn2cc[nH+]c2C1 ZINC000336719546 386451106 /nfs/dbraw/zinc/45/11/06/386451106.db2.gz XUVLJXIDUZDDGP-JTQLQIEISA-N 1 2 234.303 0.367 20 0 BCADLO Cc1cc(N2CN(C)C(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000645398092 386396193 /nfs/dbraw/zinc/39/61/93/386396193.db2.gz XVKVZHAEZHFSRH-QMMMGPOBSA-N 1 2 220.276 0.718 20 0 BCADLO CCC1(O)CC[NH+](Cc2ncnn2C)CC1 ZINC000336705419 386396807 /nfs/dbraw/zinc/39/68/07/386396807.db2.gz QGMKPSCALKGQIP-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO C[N@H+](Cc1nnc(C2CC2)[nH]1)[C@H]1CCOC1 ZINC000347429924 386398796 /nfs/dbraw/zinc/39/87/96/386398796.db2.gz CQALNBNKXCMEBN-VIFPVBQESA-N 1 2 222.292 0.903 20 0 BCADLO C[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@H]1CCOC1 ZINC000347429924 386398803 /nfs/dbraw/zinc/39/88/03/386398803.db2.gz CQALNBNKXCMEBN-VIFPVBQESA-N 1 2 222.292 0.903 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000336700975 386401455 /nfs/dbraw/zinc/40/14/55/386401455.db2.gz JVUUUKNWOCOOBF-NXEZZACHSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000336700975 386401460 /nfs/dbraw/zinc/40/14/60/386401460.db2.gz JVUUUKNWOCOOBF-NXEZZACHSA-N 1 2 237.307 0.069 20 0 BCADLO Cc1nc(N(C)CC(=O)NC2CC2)cc[nH+]1 ZINC000266143702 386402818 /nfs/dbraw/zinc/40/28/18/386402818.db2.gz HZQNMLSWKKGKPD-UHFFFAOYSA-N 1 2 220.276 0.500 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000336702860 386407729 /nfs/dbraw/zinc/40/77/29/386407729.db2.gz ITTWOICUARCDOI-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000336702860 386407732 /nfs/dbraw/zinc/40/77/32/386407732.db2.gz ITTWOICUARCDOI-WCQYABFASA-N 1 2 248.326 0.930 20 0 BCADLO CCOC1CC([N@H+](C)Cc2ncnn2C)C1 ZINC000347445340 386408290 /nfs/dbraw/zinc/40/82/90/386408290.db2.gz KLYBNDREMIXQHO-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC1CC([N@@H+](C)Cc2ncnn2C)C1 ZINC000347445340 386408293 /nfs/dbraw/zinc/40/82/93/386408293.db2.gz KLYBNDREMIXQHO-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1nc(CN2CC[NH+](CC3CC3)CC2)n[nH]1 ZINC000336711600 386411986 /nfs/dbraw/zinc/41/19/86/386411986.db2.gz RJOZEPLBXMPSFM-UHFFFAOYSA-N 1 2 235.335 0.641 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)nn1C ZINC000336708585 386418576 /nfs/dbraw/zinc/41/85/76/386418576.db2.gz VIVMYZCWEHTESB-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)nn1C ZINC000336708585 386418582 /nfs/dbraw/zinc/41/85/82/386418582.db2.gz VIVMYZCWEHTESB-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO C[C@H](O)CNc1cc(N(C)[C@@H](C)CO)nc[nH+]1 ZINC000299166831 386423543 /nfs/dbraw/zinc/42/35/43/386423543.db2.gz ZVTKNAUKSJRXCS-IUCAKERBSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@H](O)CNc1cc(N(C)[C@@H](C)CO)[nH+]cn1 ZINC000299166831 386423545 /nfs/dbraw/zinc/42/35/45/386423545.db2.gz ZVTKNAUKSJRXCS-IUCAKERBSA-N 1 2 240.307 0.086 20 0 BCADLO CC(C)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647933935 386425304 /nfs/dbraw/zinc/42/53/04/386425304.db2.gz PFQQWQLHDOIMTL-UHFFFAOYSA-N 1 2 222.292 0.292 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000408368948 386426467 /nfs/dbraw/zinc/42/64/67/386426467.db2.gz POMPYXZGAZNSMO-JTQLQIEISA-N 1 2 249.314 0.872 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000408368948 386426472 /nfs/dbraw/zinc/42/64/72/386426472.db2.gz POMPYXZGAZNSMO-JTQLQIEISA-N 1 2 249.314 0.872 20 0 BCADLO C[C@H](O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000277606371 386452379 /nfs/dbraw/zinc/45/23/79/386452379.db2.gz HJUBJJWQMNDMBF-NWALNABHSA-N 1 2 223.276 0.652 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOC(C)C ZINC000347472355 386433883 /nfs/dbraw/zinc/43/38/83/386433883.db2.gz XRKKLDNDFLRKDH-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1CCOC(C)C ZINC000347472355 386433888 /nfs/dbraw/zinc/43/38/88/386433888.db2.gz XRKKLDNDFLRKDH-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCOC1 ZINC000299289060 386434774 /nfs/dbraw/zinc/43/47/74/386434774.db2.gz ZRLQBCBMJYCIHF-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000290436755 386435360 /nfs/dbraw/zinc/43/53/60/386435360.db2.gz SAMLKAWTOJVVDD-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000290436755 386435365 /nfs/dbraw/zinc/43/53/65/386435365.db2.gz SAMLKAWTOJVVDD-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO CC[C@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000267064478 386492851 /nfs/dbraw/zinc/49/28/51/386492851.db2.gz AIHMJGWROVTGNK-VIFPVBQESA-N 1 2 211.265 0.759 20 0 BCADLO Cn1cccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290972663 386494529 /nfs/dbraw/zinc/49/45/29/386494529.db2.gz UBESOALJZMNWDY-UHFFFAOYSA-N 1 2 230.271 0.878 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)nc1 ZINC000340658981 386503448 /nfs/dbraw/zinc/50/34/48/386503448.db2.gz FYLZCIVFZBELRY-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)nc1 ZINC000340658981 386503451 /nfs/dbraw/zinc/50/34/51/386503451.db2.gz FYLZCIVFZBELRY-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000291057750 386505946 /nfs/dbraw/zinc/50/59/46/386505946.db2.gz JJIACPJFRRYJQZ-LBPRGKRZSA-N 1 2 237.303 0.714 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC000291057750 386505951 /nfs/dbraw/zinc/50/59/51/386505951.db2.gz JJIACPJFRRYJQZ-LBPRGKRZSA-N 1 2 237.303 0.714 20 0 BCADLO CON(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366451554 386506502 /nfs/dbraw/zinc/50/65/02/386506502.db2.gz LDTPFQHGUJVGIR-SNVBAGLBSA-N 1 2 243.307 0.052 20 0 BCADLO CON(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366451554 386506511 /nfs/dbraw/zinc/50/65/11/386506511.db2.gz LDTPFQHGUJVGIR-SNVBAGLBSA-N 1 2 243.307 0.052 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)nn1 ZINC000336783930 386506572 /nfs/dbraw/zinc/50/65/72/386506572.db2.gz JQALRMMGNYUCGL-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)nn1 ZINC000336783930 386506578 /nfs/dbraw/zinc/50/65/78/386506578.db2.gz JQALRMMGNYUCGL-ZDUSSCGKSA-N 1 2 246.314 0.981 20 0 BCADLO COC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267207853 386510338 /nfs/dbraw/zinc/51/03/38/386510338.db2.gz MHLQBDXPRBQJHJ-SSDOTTSWSA-N 1 2 211.265 0.617 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)n1 ZINC000336733287 386515368 /nfs/dbraw/zinc/51/53/68/386515368.db2.gz GNUJAEXOXFDQHG-NKWVEPMBSA-N 1 2 226.280 0.505 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000193048472 386530148 /nfs/dbraw/zinc/53/01/48/386530148.db2.gz GCJFMBCRTLUOEM-WDEREUQCSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193048472 386530157 /nfs/dbraw/zinc/53/01/57/386530157.db2.gz GCJFMBCRTLUOEM-WDEREUQCSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@H](C1CC1)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339681931 386518474 /nfs/dbraw/zinc/51/84/74/386518474.db2.gz VCXJQTJWSIMXQP-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](C(=O)N(C)CC1CC1)[NH+]1CCOCC1 ZINC000339690816 386519352 /nfs/dbraw/zinc/51/93/52/386519352.db2.gz BOHBFKQBKBUBGO-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO CN(C(=O)[C@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000335450508 386521981 /nfs/dbraw/zinc/52/19/81/386521981.db2.gz RLAKKRKRWSJUBK-SECBINFHSA-N 1 2 214.309 0.574 20 0 BCADLO CN(C(=O)[C@H]1COCC[N@H+]1C)C(C)(C)C ZINC000335450508 386521988 /nfs/dbraw/zinc/52/19/88/386521988.db2.gz RLAKKRKRWSJUBK-SECBINFHSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)n1ccnc1C[NH+](CCO)CCO ZINC000267719557 386575958 /nfs/dbraw/zinc/57/59/58/386575958.db2.gz YGFQLICXRBEXSY-UHFFFAOYSA-N 1 2 227.308 0.251 20 0 BCADLO COC[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000103430035 386577784 /nfs/dbraw/zinc/57/77/84/386577784.db2.gz DZBMLVGQAJVICQ-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000267802150 386587203 /nfs/dbraw/zinc/58/72/03/386587203.db2.gz LBOPTWSZLWPCHW-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000267802150 386587210 /nfs/dbraw/zinc/58/72/10/386587210.db2.gz LBOPTWSZLWPCHW-ZETCQYMHSA-N 1 2 242.304 0.197 20 0 BCADLO CONC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366685458 386590669 /nfs/dbraw/zinc/59/06/69/386590669.db2.gz GVOCBGGKHYLRAU-VIFPVBQESA-N 1 2 238.291 0.930 20 0 BCADLO CCC1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000335420444 386591538 /nfs/dbraw/zinc/59/15/38/386591538.db2.gz CNVUVRHOAHIIEQ-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CO[C@](C)(CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000291370182 386536641 /nfs/dbraw/zinc/53/66/41/386536641.db2.gz XZABNGKLMZGVSP-GFCCVEGCSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)C2CCCC2)c[nH+]1 ZINC000291378025 386539469 /nfs/dbraw/zinc/53/94/69/386539469.db2.gz WQHPBYOBDXIFSP-NSHDSACASA-N 1 2 237.303 0.999 20 0 BCADLO CC(=O)NC1C[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000291385103 386540599 /nfs/dbraw/zinc/54/05/99/386540599.db2.gz BSIXTPFRGVGMBV-UHFFFAOYSA-N 1 2 236.319 0.357 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000061708372 386544665 /nfs/dbraw/zinc/54/46/65/386544665.db2.gz BQJRHBXZEDYTIA-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061708372 386544668 /nfs/dbraw/zinc/54/46/68/386544668.db2.gz BQJRHBXZEDYTIA-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO Cn1ncnc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000123253063 386546807 /nfs/dbraw/zinc/54/68/07/386546807.db2.gz VRPZZGRXZAFEBH-UHFFFAOYSA-N 1 2 237.307 0.093 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335465131 386551138 /nfs/dbraw/zinc/55/11/38/386551138.db2.gz SJVPUYXYWSNXSO-MWLCHTKSSA-N 1 2 237.303 0.331 20 0 BCADLO CCNC(=O)CN(CC)Cc1c[nH+]cn1CC ZINC000417687711 386551848 /nfs/dbraw/zinc/55/18/48/386551848.db2.gz VXCVUPJJRFSYJQ-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640551 386557001 /nfs/dbraw/zinc/55/70/01/386557001.db2.gz GWXNRWWDUHCWTC-AOOOYVTPSA-N 1 2 225.292 0.001 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640551 386557004 /nfs/dbraw/zinc/55/70/04/386557004.db2.gz GWXNRWWDUHCWTC-AOOOYVTPSA-N 1 2 225.292 0.001 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(OC)OC ZINC000278671132 386563848 /nfs/dbraw/zinc/56/38/48/386563848.db2.gz PXGGTMGSBPGTBB-MRVPVSSYSA-N 1 2 241.291 0.845 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](Cc2ncnn2C)C1 ZINC000187584949 386564158 /nfs/dbraw/zinc/56/41/58/386564158.db2.gz SBMDLOYRRLHYHE-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000187584949 386564164 /nfs/dbraw/zinc/56/41/64/386564164.db2.gz SBMDLOYRRLHYHE-GFCCVEGCSA-N 1 2 238.335 0.800 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000408422155 386571417 /nfs/dbraw/zinc/57/14/17/386571417.db2.gz FQYUGGRRNDUVFQ-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000408422155 386571424 /nfs/dbraw/zinc/57/14/24/386571424.db2.gz FQYUGGRRNDUVFQ-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO CN(C)C(=O)C[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000337140688 386624010 /nfs/dbraw/zinc/62/40/10/386624010.db2.gz UQRFHFAOHVTSAX-QMMMGPOBSA-N 1 2 242.241 0.320 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000337140688 386624015 /nfs/dbraw/zinc/62/40/15/386624015.db2.gz UQRFHFAOHVTSAX-QMMMGPOBSA-N 1 2 242.241 0.320 20 0 BCADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)s1 ZINC000268144806 386626668 /nfs/dbraw/zinc/62/66/68/386626668.db2.gz LMNFFHUEMLIQGP-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)s1 ZINC000268144806 386626675 /nfs/dbraw/zinc/62/66/75/386626675.db2.gz LMNFFHUEMLIQGP-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO COCC1(O)C[NH+](Cc2ccoc2C)C1 ZINC000414466589 386629557 /nfs/dbraw/zinc/62/95/57/386629557.db2.gz UVEPHOJLTOOTOD-UHFFFAOYSA-N 1 2 211.261 0.781 20 0 BCADLO O=C1CC[N@H+](Cc2cn3cccnc3n2)CCN1 ZINC000124392281 386629718 /nfs/dbraw/zinc/62/97/18/386629718.db2.gz PEUKHLIIHLKTQN-UHFFFAOYSA-N 1 2 245.286 0.051 20 0 BCADLO O=C1CC[N@@H+](Cc2cn3cccnc3n2)CCN1 ZINC000124392281 386629722 /nfs/dbraw/zinc/62/97/22/386629722.db2.gz PEUKHLIIHLKTQN-UHFFFAOYSA-N 1 2 245.286 0.051 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000335501747 386630506 /nfs/dbraw/zinc/63/05/06/386630506.db2.gz GKFDCBSXUDAJKA-SECBINFHSA-N 1 2 224.304 0.564 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337171280 386632942 /nfs/dbraw/zinc/63/29/42/386632942.db2.gz DNWUFAVHLCRXCG-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337171280 386632947 /nfs/dbraw/zinc/63/29/47/386632947.db2.gz DNWUFAVHLCRXCG-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO COC(=O)c1conc1C(C)(C)[NH2+]CCCO ZINC000425558404 386635320 /nfs/dbraw/zinc/63/53/20/386635320.db2.gz DUECJKXPWQUJJN-UHFFFAOYSA-N 1 2 242.275 0.668 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000329226169 386636827 /nfs/dbraw/zinc/63/68/27/386636827.db2.gz HEWLUVQZSIQARJ-NSHDSACASA-N 1 2 244.302 0.942 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000329226169 386636832 /nfs/dbraw/zinc/63/68/32/386636832.db2.gz HEWLUVQZSIQARJ-NSHDSACASA-N 1 2 244.302 0.942 20 0 BCADLO CN1C(=O)NCC12CC[NH+](CC(F)F)CC2 ZINC000644960138 386637015 /nfs/dbraw/zinc/63/70/15/386637015.db2.gz WJTVWZXVQSJAHI-UHFFFAOYSA-N 1 2 233.262 0.741 20 0 BCADLO CO[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000279180065 386642470 /nfs/dbraw/zinc/64/24/70/386642470.db2.gz BIKVLZNXZJCMCX-LLVKDONJSA-N 1 2 237.303 0.804 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000643413085 386650398 /nfs/dbraw/zinc/65/03/98/386650398.db2.gz KCDGTOHMKPGIDE-SSDOTTSWSA-N 1 2 215.322 0.913 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000643413085 386650405 /nfs/dbraw/zinc/65/04/05/386650405.db2.gz KCDGTOHMKPGIDE-SSDOTTSWSA-N 1 2 215.322 0.913 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000328904812 386651475 /nfs/dbraw/zinc/65/14/75/386651475.db2.gz JNXFBYLTFCPJTD-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000328904812 386651481 /nfs/dbraw/zinc/65/14/81/386651481.db2.gz JNXFBYLTFCPJTD-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO CCC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000336646908 386653559 /nfs/dbraw/zinc/65/35/59/386653559.db2.gz DJVQNHRVZGPYMW-DTWKUNHWSA-N 1 2 201.266 0.707 20 0 BCADLO O=C1CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000329061368 386599692 /nfs/dbraw/zinc/59/96/92/386599692.db2.gz UUKSZVDPLJGBRJ-SECBINFHSA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328606149 386600592 /nfs/dbraw/zinc/60/05/92/386600592.db2.gz KEJNTEXCIGIICQ-NXEZZACHSA-N 1 2 237.303 0.412 20 0 BCADLO O=C1CC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328606149 386600594 /nfs/dbraw/zinc/60/05/94/386600594.db2.gz KEJNTEXCIGIICQ-NXEZZACHSA-N 1 2 237.303 0.412 20 0 BCADLO CCC[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000336646910 386654821 /nfs/dbraw/zinc/65/48/21/386654821.db2.gz DJVQNHRVZGPYMW-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCCn1cccc1 ZINC000278897488 386602232 /nfs/dbraw/zinc/60/22/32/386602232.db2.gz PJYPOMSBPZROSF-UHFFFAOYSA-N 1 2 232.287 0.879 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCCO1 ZINC000267969604 386603858 /nfs/dbraw/zinc/60/38/58/386603858.db2.gz UDIIJCISHWBSTK-JQWIXIFHSA-N 1 2 237.303 0.957 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425549793 386604251 /nfs/dbraw/zinc/60/42/51/386604251.db2.gz ODYZLKNDBNIDPU-DTWKUNHWSA-N 1 2 238.291 0.546 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425549793 386604254 /nfs/dbraw/zinc/60/42/54/386604254.db2.gz ODYZLKNDBNIDPU-DTWKUNHWSA-N 1 2 238.291 0.546 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCCO1 ZINC000267969605 386604216 /nfs/dbraw/zinc/60/42/16/386604216.db2.gz UDIIJCISHWBSTK-PWSUYJOCSA-N 1 2 237.303 0.957 20 0 BCADLO CSC1(C[NH+]2CCS(=O)CC2)CC1 ZINC000306676470 386605404 /nfs/dbraw/zinc/60/54/04/386605404.db2.gz WDIIAQDCUSHDNO-UHFFFAOYSA-N 1 2 219.375 0.946 20 0 BCADLO CC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000291958968 386605508 /nfs/dbraw/zinc/60/55/08/386605508.db2.gz FOEOLDVBVXFCIU-YEZKRMTDSA-N 1 2 223.276 0.964 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C[C@@H]1CCOC1 ZINC000328603633 386607011 /nfs/dbraw/zinc/60/70/11/386607011.db2.gz HYGMNFDMVGCCQL-VIFPVBQESA-N 1 2 237.307 0.476 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C[C@@H]1CCOC1 ZINC000328603633 386607020 /nfs/dbraw/zinc/60/70/20/386607020.db2.gz HYGMNFDMVGCCQL-VIFPVBQESA-N 1 2 237.307 0.476 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CCCNC1=O ZINC000328674958 386607124 /nfs/dbraw/zinc/60/71/24/386607124.db2.gz QJSDPJSEPVWCOR-SECBINFHSA-N 1 2 222.292 0.971 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ncn1 ZINC000292003388 386607339 /nfs/dbraw/zinc/60/73/39/386607339.db2.gz CAVAQPVUDZXQKN-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ncn1 ZINC000292003388 386607345 /nfs/dbraw/zinc/60/73/45/386607345.db2.gz CAVAQPVUDZXQKN-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000328686451 386610070 /nfs/dbraw/zinc/61/00/70/386610070.db2.gz YGIHLZDFFPUILM-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000328686451 386610074 /nfs/dbraw/zinc/61/00/74/386610074.db2.gz YGIHLZDFFPUILM-SNVBAGLBSA-N 1 2 225.296 0.211 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CCCO1 ZINC000268011322 386610109 /nfs/dbraw/zinc/61/01/09/386610109.db2.gz ZXADTJINEAOZBP-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148914690 386610288 /nfs/dbraw/zinc/61/02/88/386610288.db2.gz BIHXIYNYTUAHSH-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148914690 386610293 /nfs/dbraw/zinc/61/02/93/386610293.db2.gz BIHXIYNYTUAHSH-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000291196086 386612480 /nfs/dbraw/zinc/61/24/80/386612480.db2.gz JJBLEQRDTGFHNI-ZCFIWIBFSA-N 1 2 201.295 0.659 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000291196086 386612485 /nfs/dbraw/zinc/61/24/85/386612485.db2.gz JJBLEQRDTGFHNI-ZCFIWIBFSA-N 1 2 201.295 0.659 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493865 386614113 /nfs/dbraw/zinc/61/41/13/386614113.db2.gz YZFZNTQAFNLJGG-PWSUYJOCSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1CCC[C@H]1O)n1cc[nH+]c1 ZINC000520241702 386617218 /nfs/dbraw/zinc/61/72/18/386617218.db2.gz ICBLFIIQNQAABS-HBNTYKKESA-N 1 2 237.303 0.864 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cncn1CC ZINC000417739910 386617587 /nfs/dbraw/zinc/61/75/87/386617587.db2.gz QXUYIQYHZNRPPP-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cncn1CC ZINC000417739910 386617594 /nfs/dbraw/zinc/61/75/94/386617594.db2.gz QXUYIQYHZNRPPP-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000337217792 386659849 /nfs/dbraw/zinc/65/98/49/386659849.db2.gz ALSQAFGTYMZTSI-ZETCQYMHSA-N 1 2 234.250 0.356 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000337217792 386659855 /nfs/dbraw/zinc/65/98/55/386659855.db2.gz ALSQAFGTYMZTSI-ZETCQYMHSA-N 1 2 234.250 0.356 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N(C)CC ZINC000337221706 386663123 /nfs/dbraw/zinc/66/31/23/386663123.db2.gz CMTIQBTXRGKLDO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N(C)CC ZINC000337221706 386663129 /nfs/dbraw/zinc/66/31/29/386663129.db2.gz CMTIQBTXRGKLDO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO C[C@@H](C(=O)N(C)C(C)(C)C)[NH+]1CCOCC1 ZINC000335522249 386664842 /nfs/dbraw/zinc/66/48/42/386664842.db2.gz SRNOLTWYNVXLKE-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H](CCO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000268585336 386665108 /nfs/dbraw/zinc/66/51/08/386665108.db2.gz KQLUBIIYQSWHPA-VIFPVBQESA-N 1 2 225.292 0.857 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2nc[nH]c21 ZINC000428126983 386665953 /nfs/dbraw/zinc/66/59/53/386665953.db2.gz VHVKUMYNUGHVAB-UHFFFAOYSA-N 1 2 229.247 0.712 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccn1 ZINC000279333372 386668367 /nfs/dbraw/zinc/66/83/67/386668367.db2.gz YITAXCIBWUQOCQ-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccn1 ZINC000279333372 386668374 /nfs/dbraw/zinc/66/83/74/386668374.db2.gz YITAXCIBWUQOCQ-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000279358741 386670344 /nfs/dbraw/zinc/67/03/44/386670344.db2.gz KCFNQJWGTBERFO-KCJUWKMLSA-N 1 2 239.319 0.784 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000279358741 386670354 /nfs/dbraw/zinc/67/03/54/386670354.db2.gz KCFNQJWGTBERFO-KCJUWKMLSA-N 1 2 239.319 0.784 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CO1 ZINC000335526833 386671527 /nfs/dbraw/zinc/67/15/27/386671527.db2.gz BFWVKYPGDJZABG-BDAKNGLRSA-N 1 2 237.303 0.981 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCc1nc(C)no1 ZINC000268638349 386673447 /nfs/dbraw/zinc/67/34/47/386673447.db2.gz GPIQVXXOAOIFJR-UHFFFAOYSA-N 1 2 241.291 0.852 20 0 BCADLO C[C@H](CS(C)(=O)=O)N(C)Cc1c[nH+]cn1C ZINC000330363500 386674695 /nfs/dbraw/zinc/67/46/95/386674695.db2.gz IEZHFHRVOGXBRM-SECBINFHSA-N 1 2 245.348 0.285 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccon3)C[C@@H]12 ZINC000329463197 386678461 /nfs/dbraw/zinc/67/84/61/386678461.db2.gz UGLSBNUWUOUGCE-QMMMGPOBSA-N 1 2 236.231 0.251 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccon3)C[C@@H]12 ZINC000329463197 386678469 /nfs/dbraw/zinc/67/84/69/386678469.db2.gz UGLSBNUWUOUGCE-QMMMGPOBSA-N 1 2 236.231 0.251 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000329464001 386679158 /nfs/dbraw/zinc/67/91/58/386679158.db2.gz QVOYFXQKNOORPJ-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000329464001 386679166 /nfs/dbraw/zinc/67/91/66/386679166.db2.gz QVOYFXQKNOORPJ-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000279268530 386657498 /nfs/dbraw/zinc/65/74/98/386657498.db2.gz VYTMRPKEPWMCPQ-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185267241 386682122 /nfs/dbraw/zinc/68/21/22/386682122.db2.gz DEPKFVKTQCZNBB-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185267241 386682128 /nfs/dbraw/zinc/68/21/28/386682128.db2.gz DEPKFVKTQCZNBB-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1nnnn1C ZINC000366694220 386711131 /nfs/dbraw/zinc/71/11/31/386711131.db2.gz IJVJABIQJJNSTK-SECBINFHSA-N 1 2 247.306 0.281 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCNC(=O)[C@H]2C)n1 ZINC000268706319 386683798 /nfs/dbraw/zinc/68/37/98/386683798.db2.gz WJQPBTGDCPZSSQ-MRVPVSSYSA-N 1 2 238.291 0.131 20 0 BCADLO Cc1noc(CCC[N@H+]2CCNC(=O)[C@H]2C)n1 ZINC000268706319 386683802 /nfs/dbraw/zinc/68/38/02/386683802.db2.gz WJQPBTGDCPZSSQ-MRVPVSSYSA-N 1 2 238.291 0.131 20 0 BCADLO C[C@@H]1NC(=O)N(C[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000329487965 386685011 /nfs/dbraw/zinc/68/50/11/386685011.db2.gz UGUIFUMFCBFWKY-DTWKUNHWSA-N 1 2 248.286 0.905 20 0 BCADLO Cc1nc(C[N@H+](C)CCC(C)(C)O)no1 ZINC000121005036 386689907 /nfs/dbraw/zinc/68/99/07/386689907.db2.gz OEDUOIUEBNFHDI-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1nc(C[N@@H+](C)CCC(C)(C)O)no1 ZINC000121005036 386689914 /nfs/dbraw/zinc/68/99/14/386689914.db2.gz OEDUOIUEBNFHDI-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC=CCC2)C1 ZINC000335473529 386693075 /nfs/dbraw/zinc/69/30/75/386693075.db2.gz BUZZNCHEUCTXNJ-DGCLKSJQSA-N 1 2 238.331 0.932 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC=CCC2)C1 ZINC000335473529 386693081 /nfs/dbraw/zinc/69/30/81/386693081.db2.gz BUZZNCHEUCTXNJ-DGCLKSJQSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CCc1c[nH+]cn1C ZINC000330435227 386695445 /nfs/dbraw/zinc/69/54/45/386695445.db2.gz ASDSRNHRRZJLQV-ZJUUUORDSA-N 1 2 239.319 0.628 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCOC1 ZINC000264370595 386696050 /nfs/dbraw/zinc/69/60/50/386696050.db2.gz GNBQSVXLOOFXGE-MRVPVSSYSA-N 1 2 233.275 0.588 20 0 BCADLO CC[C@H]([NH2+]CCCNC(=O)C(C)C)C(=O)OC ZINC000192860972 386696536 /nfs/dbraw/zinc/69/65/36/386696536.db2.gz KCVVFBADMAVAOC-JTQLQIEISA-N 1 2 244.335 0.690 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000292599085 386697736 /nfs/dbraw/zinc/69/77/36/386697736.db2.gz QGUREPBSWHZYQD-NXEZZACHSA-N 1 2 239.319 0.892 20 0 BCADLO Cc1nc(C[N@@H+](CC(N)=O)CC(C)C)co1 ZINC000647958155 386701718 /nfs/dbraw/zinc/70/17/18/386701718.db2.gz CBHTWHCZOMSMSF-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1nc(C[N@H+](CC(N)=O)CC(C)C)co1 ZINC000647958155 386701728 /nfs/dbraw/zinc/70/17/28/386701728.db2.gz CBHTWHCZOMSMSF-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO OCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000647958242 386703846 /nfs/dbraw/zinc/70/38/46/386703846.db2.gz IVKDCRPHFJHEKL-UHFFFAOYSA-N 1 2 210.281 0.052 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H](CO)CC(C)(C)C ZINC000451787025 386707468 /nfs/dbraw/zinc/70/74/68/386707468.db2.gz IVWPFYNZVNBRRK-QMMMGPOBSA-N 1 2 242.323 0.739 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H](CO)CC(C)(C)C ZINC000451787025 386707473 /nfs/dbraw/zinc/70/74/73/386707473.db2.gz IVWPFYNZVNBRRK-QMMMGPOBSA-N 1 2 242.323 0.739 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC(C)C ZINC000186351183 386733403 /nfs/dbraw/zinc/73/34/03/386733403.db2.gz NHXCYXDAKALXTF-LBPRGKRZSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC(C)C ZINC000186351183 386733408 /nfs/dbraw/zinc/73/34/08/386733408.db2.gz NHXCYXDAKALXTF-LBPRGKRZSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000330489689 386737369 /nfs/dbraw/zinc/73/73/69/386737369.db2.gz KZACKILAWDCMPG-BXKDBHETSA-N 1 2 243.303 0.871 20 0 BCADLO Cc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000330444641 386739425 /nfs/dbraw/zinc/73/94/25/386739425.db2.gz GITAZRYWUAGSBG-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000279641787 386714899 /nfs/dbraw/zinc/71/48/99/386714899.db2.gz JJWVFWVWNSNTIJ-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000279641787 386714904 /nfs/dbraw/zinc/71/49/04/386714904.db2.gz JJWVFWVWNSNTIJ-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000330457435 386720102 /nfs/dbraw/zinc/72/01/02/386720102.db2.gz YHPKPEUVVJYBLQ-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000330457435 386720107 /nfs/dbraw/zinc/72/01/07/386720107.db2.gz YHPKPEUVVJYBLQ-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330465170 386722852 /nfs/dbraw/zinc/72/28/52/386722852.db2.gz WBZMTQNDHBRVNW-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO COCCN1CCC[N@H+](CC2(F)CC2)CC1=O ZINC000526988631 386724753 /nfs/dbraw/zinc/72/47/53/386724753.db2.gz KHJOAWOVHHEYNI-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO COCCN1CCC[N@@H+](CC2(F)CC2)CC1=O ZINC000526988631 386724759 /nfs/dbraw/zinc/72/47/59/386724759.db2.gz KHJOAWOVHHEYNI-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO CC(=O)CSCC(=O)N1CC[NH+](C)CC1 ZINC000340697296 386726394 /nfs/dbraw/zinc/72/63/94/386726394.db2.gz YWUFFVGKNJQDIL-UHFFFAOYSA-N 1 2 230.333 0.083 20 0 BCADLO COc1cc(C[N@H+](C)CC(=O)N(C)C)ccn1 ZINC000339863860 386726481 /nfs/dbraw/zinc/72/64/81/386726481.db2.gz BFLHZGRNLGJPEE-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1cc(C[N@@H+](C)CC(=O)N(C)C)ccn1 ZINC000339863860 386726489 /nfs/dbraw/zinc/72/64/89/386726489.db2.gz BFLHZGRNLGJPEE-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)nc1 ZINC000340696408 386728170 /nfs/dbraw/zinc/72/81/70/386728170.db2.gz OTEFBZFEFZYUCV-SNVBAGLBSA-N 1 2 236.319 0.775 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000330474803 386728587 /nfs/dbraw/zinc/72/85/87/386728587.db2.gz IBFQYBLFBNZHCR-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000330474803 386728592 /nfs/dbraw/zinc/72/85/92/386728592.db2.gz IBFQYBLFBNZHCR-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO Cc1cnc([C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)o1 ZINC000408441124 386730006 /nfs/dbraw/zinc/73/00/06/386730006.db2.gz GXSZUZPKWQHWIP-DJLDLDEBSA-N 1 2 212.249 0.081 20 0 BCADLO C[C@@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329636337 386746710 /nfs/dbraw/zinc/74/67/10/386746710.db2.gz YEDZVJSFCXEKPO-BQBZGAKWSA-N 1 2 234.259 0.412 20 0 BCADLO C[C@@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329636337 386746713 /nfs/dbraw/zinc/74/67/13/386746713.db2.gz YEDZVJSFCXEKPO-BQBZGAKWSA-N 1 2 234.259 0.412 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+]Cc1cocn1 ZINC000192283455 386752731 /nfs/dbraw/zinc/75/27/31/386752731.db2.gz IELFAJBNQSBKFJ-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO O=C(C[C@H]1CCCC(=O)N1)Nc1cc[nH+]cc1O ZINC000348531921 386753560 /nfs/dbraw/zinc/75/35/60/386753560.db2.gz NXBXSUWQANMBPY-MRVPVSSYSA-N 1 2 249.270 0.206 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000330504027 386762899 /nfs/dbraw/zinc/76/28/99/386762899.db2.gz GQAQEHVEOWHHQR-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000330504027 386762905 /nfs/dbraw/zinc/76/29/05/386762905.db2.gz GQAQEHVEOWHHQR-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO COC(=O)CCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330552229 386765741 /nfs/dbraw/zinc/76/57/41/386765741.db2.gz FKCLLZOTGQVOOP-SFYZADRCSA-N 1 2 232.255 0.887 20 0 BCADLO COC(=O)CCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330552229 386765750 /nfs/dbraw/zinc/76/57/50/386765750.db2.gz FKCLLZOTGQVOOP-SFYZADRCSA-N 1 2 232.255 0.887 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+](C)[C@H](C)C(N)=O)N(C)C1 ZINC000330559783 386767984 /nfs/dbraw/zinc/76/79/84/386767984.db2.gz RQLOFYKVKFKWDH-UTLUCORTSA-N 1 2 229.324 0.561 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)N(C)C1 ZINC000330559783 386767993 /nfs/dbraw/zinc/76/79/93/386767993.db2.gz RQLOFYKVKFKWDH-UTLUCORTSA-N 1 2 229.324 0.561 20 0 BCADLO Cc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000330578786 386795913 /nfs/dbraw/zinc/79/59/13/386795913.db2.gz SLFUVNVXSNLIKY-ZETCQYMHSA-N 1 2 235.247 0.393 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC1CC1 ZINC000340883259 386796094 /nfs/dbraw/zinc/79/60/94/386796094.db2.gz MKXYVLVUTGVQGU-GFCCVEGCSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC1CC1 ZINC000340883259 386796101 /nfs/dbraw/zinc/79/61/01/386796101.db2.gz MKXYVLVUTGVQGU-GFCCVEGCSA-N 1 2 226.320 0.766 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000282896257 386774523 /nfs/dbraw/zinc/77/45/23/386774523.db2.gz WLPXMKHJNZNJRY-LURJTMIESA-N 1 2 201.295 0.659 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000282896257 386774529 /nfs/dbraw/zinc/77/45/29/386774529.db2.gz WLPXMKHJNZNJRY-LURJTMIESA-N 1 2 201.295 0.659 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n(C)n1 ZINC000330527732 386774837 /nfs/dbraw/zinc/77/48/37/386774837.db2.gz XUQDZIDPGOYLDQ-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO CO[C@]1(C)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000280096514 386778447 /nfs/dbraw/zinc/77/84/47/386778447.db2.gz RBIZSFPNCARDAC-GFCCVEGCSA-N 1 2 237.303 0.911 20 0 BCADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NC)o1 ZINC000293175945 386785251 /nfs/dbraw/zinc/78/52/51/386785251.db2.gz NPWSIYKVZNMZLP-JTQLQIEISA-N 1 2 240.303 0.865 20 0 BCADLO COC(=O)c1occc1CNCC[NH+]1CCC1 ZINC000344877347 386786036 /nfs/dbraw/zinc/78/60/36/386786036.db2.gz FCYSEBKXDCQNQL-UHFFFAOYSA-N 1 2 238.287 0.862 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OC ZINC000113164385 386786331 /nfs/dbraw/zinc/78/63/31/386786331.db2.gz ZOSUOMLILVXERW-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO O=C1NCCCC[C@H]1[N@@H+]1CCc2cncnc2C1 ZINC000340837672 386786504 /nfs/dbraw/zinc/78/65/04/386786504.db2.gz HHIWOYKFLUFTEY-GFCCVEGCSA-N 1 2 246.314 0.503 20 0 BCADLO O=C1NCCCC[C@H]1[N@H+]1CCc2cncnc2C1 ZINC000340837672 386786510 /nfs/dbraw/zinc/78/65/10/386786510.db2.gz HHIWOYKFLUFTEY-GFCCVEGCSA-N 1 2 246.314 0.503 20 0 BCADLO CCn1c[nH+]cc1CN1CCN(CC)C(=O)C1 ZINC000417980966 386788621 /nfs/dbraw/zinc/78/86/21/386788621.db2.gz BWRMUCSYYQHLJU-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000340858806 386788710 /nfs/dbraw/zinc/78/87/10/386788710.db2.gz GCMHPILHBRCUCQ-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CC(C)CNC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939222 386817205 /nfs/dbraw/zinc/81/72/05/386817205.db2.gz GLDRMXAKQJFQEO-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@H]2CO)[nH]1 ZINC000336672814 386820049 /nfs/dbraw/zinc/82/00/49/386820049.db2.gz GOPFIKPNNMVFLC-VIFPVBQESA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@H]2CO)[nH]1 ZINC000336672814 386820055 /nfs/dbraw/zinc/82/00/55/386820055.db2.gz GOPFIKPNNMVFLC-VIFPVBQESA-N 1 2 210.281 0.460 20 0 BCADLO COC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330625062 386823166 /nfs/dbraw/zinc/82/31/66/386823166.db2.gz SKUFFUQLHGYGFJ-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330625062 386823170 /nfs/dbraw/zinc/82/31/70/386823170.db2.gz SKUFFUQLHGYGFJ-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000330577156 386797572 /nfs/dbraw/zinc/79/75/72/386797572.db2.gz NJISGKXIFQIFPX-MRVPVSSYSA-N 1 2 211.265 0.319 20 0 BCADLO CC(C)N1CCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000280282373 386798467 /nfs/dbraw/zinc/79/84/67/386798467.db2.gz SLVBPVBZODRYNR-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CC(C)N1CCN(Cc2c[nH]c[nH+]2)CC1=O ZINC000280282373 386798473 /nfs/dbraw/zinc/79/84/73/386798473.db2.gz SLVBPVBZODRYNR-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000329754896 386798971 /nfs/dbraw/zinc/79/89/71/386798971.db2.gz XQXCMAPVJGCFCG-SKDRFNHKSA-N 1 2 235.287 0.795 20 0 BCADLO Cn1cc(C(C)(C)C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000344910470 386801210 /nfs/dbraw/zinc/80/12/10/386801210.db2.gz JTWFKHBHAGWORB-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO Cn1cc(C(C)(C)C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000344910470 386801213 /nfs/dbraw/zinc/80/12/13/386801213.db2.gz JTWFKHBHAGWORB-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ncn1 ZINC000293342434 386803222 /nfs/dbraw/zinc/80/32/22/386803222.db2.gz XKZMSEMSTSCGOU-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ncn1 ZINC000293342434 386803227 /nfs/dbraw/zinc/80/32/27/386803227.db2.gz XKZMSEMSTSCGOU-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N(CCO)CC(F)F ZINC000357546857 386803149 /nfs/dbraw/zinc/80/31/49/386803149.db2.gz PRPMWWNKRJVODQ-UHFFFAOYSA-N 1 2 247.245 0.428 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H](C)O)C(=O)OC ZINC000192983327 386806849 /nfs/dbraw/zinc/80/68/49/386806849.db2.gz RKQTYXPCPKKYKR-WPRPVWTQSA-N 1 2 203.282 0.689 20 0 BCADLO COC(=O)C1(NCc2c[nH+]c[nH]2)CCCC1 ZINC000193000383 386810232 /nfs/dbraw/zinc/81/02/32/386810232.db2.gz LGEXRIOBDKRYDH-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO COC(=O)C1(NCc2c[nH]c[nH+]2)CCCC1 ZINC000193000383 386810236 /nfs/dbraw/zinc/81/02/36/386810236.db2.gz LGEXRIOBDKRYDH-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nn1 ZINC000329880913 386810789 /nfs/dbraw/zinc/81/07/89/386810789.db2.gz AFTFSZQGGXAKHX-INTQDDNPSA-N 1 2 249.318 0.951 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nn1 ZINC000329880913 386810792 /nfs/dbraw/zinc/81/07/92/386810792.db2.gz AFTFSZQGGXAKHX-INTQDDNPSA-N 1 2 249.318 0.951 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCOC1 ZINC000340915637 386812115 /nfs/dbraw/zinc/81/21/15/386812115.db2.gz JNRMDUXPQJZPCZ-QMMMGPOBSA-N 1 2 226.280 0.369 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCOC1 ZINC000340915637 386812121 /nfs/dbraw/zinc/81/21/21/386812121.db2.gz JNRMDUXPQJZPCZ-QMMMGPOBSA-N 1 2 226.280 0.369 20 0 BCADLO CN(C)c1ccc(NCc2cnn(C)n2)[nH+]c1 ZINC000293403647 386812500 /nfs/dbraw/zinc/81/25/00/386812500.db2.gz YIAVAWKEWCVRGW-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330654126 386813419 /nfs/dbraw/zinc/81/34/19/386813419.db2.gz ONELJPFLNMACNQ-BDAKNGLRSA-N 1 2 248.348 0.336 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000330654126 386813421 /nfs/dbraw/zinc/81/34/21/386813421.db2.gz ONELJPFLNMACNQ-BDAKNGLRSA-N 1 2 248.348 0.336 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352874954 386813781 /nfs/dbraw/zinc/81/37/81/386813781.db2.gz ITFRRXOGYUXJCU-DGIRIXITSA-N 1 2 246.376 0.482 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352874954 386813788 /nfs/dbraw/zinc/81/37/88/386813788.db2.gz ITFRRXOGYUXJCU-DGIRIXITSA-N 1 2 246.376 0.482 20 0 BCADLO CN1CC(=O)N(C[C@@H]2CCCn3cc[nH+]c32)C1=O ZINC000329503626 386814165 /nfs/dbraw/zinc/81/41/65/386814165.db2.gz ZBOZLAXNUCEHAB-VIFPVBQESA-N 1 2 248.286 0.655 20 0 BCADLO CCCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280698712 386836901 /nfs/dbraw/zinc/83/69/01/386836901.db2.gz FHZMASFWKNRFFS-NSHDSACASA-N 1 2 238.335 0.939 20 0 BCADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000330206006 386836913 /nfs/dbraw/zinc/83/69/13/386836913.db2.gz CWNFCIJWSQXRNO-LDYMZIIASA-N 1 2 239.323 0.503 20 0 BCADLO CCCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280698709 386838460 /nfs/dbraw/zinc/83/84/60/386838460.db2.gz FHZMASFWKNRFFS-LLVKDONJSA-N 1 2 238.335 0.939 20 0 BCADLO Cc1cnc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000330240646 386840933 /nfs/dbraw/zinc/84/09/33/386840933.db2.gz FJUVSTMAHGFVNV-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134794 386845085 /nfs/dbraw/zinc/84/50/85/386845085.db2.gz YETQOLBDGGOQJT-JGVFFNPUSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000341134794 386845087 /nfs/dbraw/zinc/84/50/87/386845087.db2.gz YETQOLBDGGOQJT-JGVFFNPUSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H](CNC(=O)NC1CCC1)[NH+]1CCOCC1 ZINC000331397160 386848657 /nfs/dbraw/zinc/84/86/57/386848657.db2.gz FWAIOYHJZUDKNV-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO COC(=O)CC1CC([NH2+][C@H](C)C(=O)OC)C1 ZINC000425335731 386850863 /nfs/dbraw/zinc/85/08/63/386850863.db2.gz ISLOQSGCGDHWBU-AFPNSQJFSA-N 1 2 229.276 0.479 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+](CCO)C1CC1 ZINC000331414936 386851976 /nfs/dbraw/zinc/85/19/76/386851976.db2.gz ACQNWDIDNYOXCC-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+](CCO)C1CC1 ZINC000331414936 386851978 /nfs/dbraw/zinc/85/19/78/386851978.db2.gz ACQNWDIDNYOXCC-UHFFFAOYSA-N 1 2 238.335 0.990 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(CO)ccc1F ZINC000528468900 386852370 /nfs/dbraw/zinc/85/23/70/386852370.db2.gz DSBJAKOHSOLEAY-UHFFFAOYSA-N 1 2 240.278 0.625 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(CO)ccc1F ZINC000528468900 386852375 /nfs/dbraw/zinc/85/23/75/386852375.db2.gz DSBJAKOHSOLEAY-UHFFFAOYSA-N 1 2 240.278 0.625 20 0 BCADLO OC1(C(F)F)C[NH+](CC[C@H]2CCOC2)C1 ZINC000425344534 386856298 /nfs/dbraw/zinc/85/62/98/386856298.db2.gz CUBTWXQIAIVGTQ-QMMMGPOBSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1cc[nH+]c(NCCCc2nc(=O)[nH][nH]2)c1 ZINC000301632359 386860283 /nfs/dbraw/zinc/86/02/83/386860283.db2.gz JPLXLAVPINTSFO-UHFFFAOYSA-N 1 2 233.275 0.846 20 0 BCADLO COC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000331509859 386862662 /nfs/dbraw/zinc/86/26/62/386862662.db2.gz BGTYSMWIUWKRSR-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCOC1 ZINC000331503202 386863849 /nfs/dbraw/zinc/86/38/49/386863849.db2.gz IBJISVAEJFPTCT-WDEREUQCSA-N 1 2 249.314 0.913 20 0 BCADLO CCCc1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000051887329 386873777 /nfs/dbraw/zinc/87/37/77/386873777.db2.gz FFHDEAROSSADOW-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCCc1nc(C[N@H+]2CC[C@@H](CO)C2)no1 ZINC000051887329 386873781 /nfs/dbraw/zinc/87/37/81/386873781.db2.gz FFHDEAROSSADOW-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000335749420 386875643 /nfs/dbraw/zinc/87/56/43/386875643.db2.gz RZPUCBFYFQGJIH-JTQLQIEISA-N 1 2 208.261 0.940 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)no1 ZINC000335749420 386875647 /nfs/dbraw/zinc/87/56/47/386875647.db2.gz RZPUCBFYFQGJIH-JTQLQIEISA-N 1 2 208.261 0.940 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](O)CC2)n1 ZINC000331636326 386876951 /nfs/dbraw/zinc/87/69/51/386876951.db2.gz MFRADNQDNCMNBC-SECBINFHSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@@H](O)CC2)n1 ZINC000331636326 386876955 /nfs/dbraw/zinc/87/69/55/386876955.db2.gz MFRADNQDNCMNBC-SECBINFHSA-N 1 2 240.307 0.482 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC000330761659 386878918 /nfs/dbraw/zinc/87/89/18/386878918.db2.gz NJAMDWDXARSVHJ-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC000330761659 386878922 /nfs/dbraw/zinc/87/89/22/386878922.db2.gz NJAMDWDXARSVHJ-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO CCN(C[C@H](C)O)C(=O)CCc1[nH]cc[nH+]1 ZINC000341318345 386879494 /nfs/dbraw/zinc/87/94/94/386879494.db2.gz XUFZDBRTTABHPH-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO COC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000293795680 386881626 /nfs/dbraw/zinc/88/16/26/386881626.db2.gz BCKWKLGRZPFKRJ-SECBINFHSA-N 1 2 223.276 0.508 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC000330764447 386881756 /nfs/dbraw/zinc/88/17/56/386881756.db2.gz RMUQSUTZXBAGFO-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H](C)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330774044 386882182 /nfs/dbraw/zinc/88/21/82/386882182.db2.gz GESCNQXVXJPZBK-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](O)C[C@H]2C)cc[nH+]1 ZINC000335755511 386882949 /nfs/dbraw/zinc/88/29/49/386882949.db2.gz XVRGVCONNYDZKO-KOLCDFICSA-N 1 2 235.287 0.799 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000330729252 386883544 /nfs/dbraw/zinc/88/35/44/386883544.db2.gz HPFCKLVEIICDMF-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CCN1 ZINC000335758057 386885585 /nfs/dbraw/zinc/88/55/85/386885585.db2.gz ODKYRZGMFVGCAV-LLVKDONJSA-N 1 2 238.331 0.910 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCN1 ZINC000335758057 386885588 /nfs/dbraw/zinc/88/55/88/386885588.db2.gz ODKYRZGMFVGCAV-LLVKDONJSA-N 1 2 238.331 0.910 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000352887468 386889552 /nfs/dbraw/zinc/88/95/52/386889552.db2.gz KOHOKKGDFVKREI-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000352887468 386889555 /nfs/dbraw/zinc/88/95/55/386889555.db2.gz KOHOKKGDFVKREI-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO Cn1ccnc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330794626 386889840 /nfs/dbraw/zinc/88/98/40/386889840.db2.gz DIFQIFRLIAQCJQ-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO Cn1ccnc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000330794626 386889842 /nfs/dbraw/zinc/88/98/42/386889842.db2.gz DIFQIFRLIAQCJQ-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO CN(C)c1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000331746982 386890227 /nfs/dbraw/zinc/89/02/27/386890227.db2.gz DBJZPEDJJRLHGQ-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000331746982 386890229 /nfs/dbraw/zinc/89/02/29/386890229.db2.gz DBJZPEDJJRLHGQ-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO COC[C@@H]([NH2+]Cc1nc(C)no1)[C@@H]1CCCO1 ZINC000330797968 386890708 /nfs/dbraw/zinc/89/07/08/386890708.db2.gz BELJBNZBCDDHMU-ZJUUUORDSA-N 1 2 241.291 0.662 20 0 BCADLO Cc1cncc(N(C)CC[NH+]2CCOCC2)n1 ZINC000302213990 386915588 /nfs/dbraw/zinc/91/55/88/386915588.db2.gz IBNOPUYJDKZMJE-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425353545 386918679 /nfs/dbraw/zinc/91/86/79/386918679.db2.gz JGGKEUZWEJBJRD-QMMMGPOBSA-N 1 2 224.264 0.157 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425353545 386918682 /nfs/dbraw/zinc/91/86/82/386918682.db2.gz JGGKEUZWEJBJRD-QMMMGPOBSA-N 1 2 224.264 0.157 20 0 BCADLO COC(=O)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493618643 533201624 /nfs/dbraw/zinc/20/16/24/533201624.db2.gz NDFYVDNYYRRBQS-SDLBARTOSA-N 1 2 223.232 0.101 20 0 BCADLO C[C@H]1OCC[C@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000330817571 386897125 /nfs/dbraw/zinc/89/71/25/386897125.db2.gz DRPUNMBDTDCSQJ-PWSUYJOCSA-N 1 2 237.303 0.957 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330835087 386900925 /nfs/dbraw/zinc/90/09/25/386900925.db2.gz KHWOZBYPYSWFLT-JTQLQIEISA-N 1 2 246.376 0.312 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330835087 386900930 /nfs/dbraw/zinc/90/09/30/386900930.db2.gz KHWOZBYPYSWFLT-JTQLQIEISA-N 1 2 246.376 0.312 20 0 BCADLO Cc1occc1C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330862418 386906642 /nfs/dbraw/zinc/90/66/42/386906642.db2.gz VSGCQCNVJXNEBN-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO Cc1occc1C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330862418 386906647 /nfs/dbraw/zinc/90/66/47/386906647.db2.gz VSGCQCNVJXNEBN-UHFFFAOYSA-N 1 2 236.275 0.642 20 0 BCADLO Cc1occc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000334855525 386907252 /nfs/dbraw/zinc/90/72/52/386907252.db2.gz YKZGKXNSWCAFSK-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1occc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000334855525 386907254 /nfs/dbraw/zinc/90/72/54/386907254.db2.gz YKZGKXNSWCAFSK-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358171398 386907829 /nfs/dbraw/zinc/90/78/29/386907829.db2.gz SPGSLXUQFJBZHU-BDAKNGLRSA-N 1 2 237.303 0.808 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358171398 386907832 /nfs/dbraw/zinc/90/78/32/386907832.db2.gz SPGSLXUQFJBZHU-BDAKNGLRSA-N 1 2 237.303 0.808 20 0 BCADLO CCN(C[C@H](C)O)C(=O)CCn1cc[nH+]c1 ZINC000341409254 386908172 /nfs/dbraw/zinc/90/81/72/386908172.db2.gz TXVRZUZFLVUOJY-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO COCc1noc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000367956787 386920587 /nfs/dbraw/zinc/92/05/87/386920587.db2.gz MRDDANHJNMUBMG-VIFPVBQESA-N 1 2 241.291 0.684 20 0 BCADLO COCc1noc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000367956787 386920590 /nfs/dbraw/zinc/92/05/90/386920590.db2.gz MRDDANHJNMUBMG-VIFPVBQESA-N 1 2 241.291 0.684 20 0 BCADLO C[C@]1(C(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000330899850 386922849 /nfs/dbraw/zinc/92/28/49/386922849.db2.gz QGCVGWYZFUITLF-NSHDSACASA-N 1 2 236.275 0.657 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000367966616 386923239 /nfs/dbraw/zinc/92/32/39/386923239.db2.gz PAFMQJLTIGMMSQ-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000367966616 386923242 /nfs/dbraw/zinc/92/32/42/386923242.db2.gz PAFMQJLTIGMMSQ-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000367966616 386923244 /nfs/dbraw/zinc/92/32/44/386923244.db2.gz PAFMQJLTIGMMSQ-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000367966616 386923247 /nfs/dbraw/zinc/92/32/47/386923247.db2.gz PAFMQJLTIGMMSQ-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000367976381 386924054 /nfs/dbraw/zinc/92/40/54/386924054.db2.gz KKESOCICPVRFIW-CKYFFXLPSA-N 1 2 249.314 0.851 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)Cc1cnn(C)c1 ZINC000358268598 386924356 /nfs/dbraw/zinc/92/43/56/386924356.db2.gz AOCCSTODSAMWHN-UHFFFAOYSA-N 1 2 244.298 0.981 20 0 BCADLO CCC[C@@]1(CO)CC[N@H+](Cc2nnnn2C)C1 ZINC000367984026 386926824 /nfs/dbraw/zinc/92/68/24/386926824.db2.gz SIPOOZTXIKEWTK-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CCC[C@@]1(CO)CC[N@@H+](Cc2nnnn2C)C1 ZINC000367984026 386926826 /nfs/dbraw/zinc/92/68/26/386926826.db2.gz SIPOOZTXIKEWTK-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1cccnc1 ZINC000341587713 386927390 /nfs/dbraw/zinc/92/73/90/386927390.db2.gz QDNMFNNNLYWIMX-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1cccnc1 ZINC000341587713 386927392 /nfs/dbraw/zinc/92/73/92/386927392.db2.gz QDNMFNNNLYWIMX-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO CC[C@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330948005 386928428 /nfs/dbraw/zinc/92/84/28/386928428.db2.gz BMZUXVMUOWASII-MRVPVSSYSA-N 1 2 225.292 0.574 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330963091 386930588 /nfs/dbraw/zinc/93/05/88/386930588.db2.gz KFCYIZYROZGPCG-DTWKUNHWSA-N 1 2 237.303 0.574 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330963091 386930590 /nfs/dbraw/zinc/93/05/90/386930590.db2.gz KFCYIZYROZGPCG-DTWKUNHWSA-N 1 2 237.303 0.574 20 0 BCADLO CCCCNC(=O)CC[NH+]1CCS(=O)CC1 ZINC000116277529 386931109 /nfs/dbraw/zinc/93/11/09/386931109.db2.gz HREZEWOSIRKZRM-UHFFFAOYSA-N 1 2 246.376 0.357 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330970006 386931942 /nfs/dbraw/zinc/93/19/42/386931942.db2.gz FEQVAFWCBPPICS-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO C[N@H+](Cc1nnnn1C(C)(C)C)CC(C)(C)O ZINC000330929094 386933901 /nfs/dbraw/zinc/93/39/01/386933901.db2.gz MTNCNIGRLXAUIV-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO C[N@@H+](Cc1nnnn1C(C)(C)C)CC(C)(C)O ZINC000330929094 386933904 /nfs/dbraw/zinc/93/39/04/386933904.db2.gz MTNCNIGRLXAUIV-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO O=C(CCOCC1CC1)Nc1cc[nH+]cc1O ZINC000358335768 386937266 /nfs/dbraw/zinc/93/72/66/386937266.db2.gz IOYMNSOMSVWGLP-UHFFFAOYSA-N 1 2 236.271 0.964 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334817431 386944616 /nfs/dbraw/zinc/94/46/16/386944616.db2.gz FDPNXTKHOIHQFL-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334817431 386944618 /nfs/dbraw/zinc/94/46/18/386944618.db2.gz FDPNXTKHOIHQFL-WDEREUQCSA-N 1 2 224.304 0.376 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000331011141 386945065 /nfs/dbraw/zinc/94/50/65/386945065.db2.gz JFFGPMBIHNZQKX-ZYHUDNBSSA-N 1 2 239.319 0.795 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000331011138 386945163 /nfs/dbraw/zinc/94/51/63/386945163.db2.gz JFFGPMBIHNZQKX-CMPLNLGQSA-N 1 2 239.319 0.795 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334817423 386945914 /nfs/dbraw/zinc/94/59/14/386945914.db2.gz FDPNXTKHOIHQFL-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334817423 386945919 /nfs/dbraw/zinc/94/59/19/386945919.db2.gz FDPNXTKHOIHQFL-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO CCC[N@@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000334824955 386956989 /nfs/dbraw/zinc/95/69/89/386956989.db2.gz JOHADMZZRUZSTE-KOLCDFICSA-N 1 2 212.293 0.723 20 0 BCADLO CCC[N@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000334824955 386956994 /nfs/dbraw/zinc/95/69/94/386956994.db2.gz JOHADMZZRUZSTE-KOLCDFICSA-N 1 2 212.293 0.723 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331080500 386957423 /nfs/dbraw/zinc/95/74/23/386957423.db2.gz XHEZJMDAOUAJPC-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331080500 386957435 /nfs/dbraw/zinc/95/74/35/386957435.db2.gz XHEZJMDAOUAJPC-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO O=C1O[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]32)CC12CCC2 ZINC000368330547 386961804 /nfs/dbraw/zinc/96/18/04/386961804.db2.gz MDMWHQTVYNRVRX-GARJFASQSA-N 1 2 237.299 0.945 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCO[C@@H]3C[C@@H]32)CC12CCC2 ZINC000368330547 386961807 /nfs/dbraw/zinc/96/18/07/386961807.db2.gz MDMWHQTVYNRVRX-GARJFASQSA-N 1 2 237.299 0.945 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331099663 386962150 /nfs/dbraw/zinc/96/21/50/386962150.db2.gz ATZBSSMRUQMAEX-GHMZBOCLSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331099663 386962155 /nfs/dbraw/zinc/96/21/55/386962155.db2.gz ATZBSSMRUQMAEX-GHMZBOCLSA-N 1 2 228.336 0.604 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000358756349 387007442 /nfs/dbraw/zinc/00/74/42/387007442.db2.gz XJSRAVMEXPPHOQ-XPUUQOCRSA-N 1 2 213.306 0.659 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000358756349 387007449 /nfs/dbraw/zinc/00/74/49/387007449.db2.gz XJSRAVMEXPPHOQ-XPUUQOCRSA-N 1 2 213.306 0.659 20 0 BCADLO Cc1nnc(C[N@H+](CCO)CCCO)s1 ZINC000358501343 386963569 /nfs/dbraw/zinc/96/35/69/386963569.db2.gz SJFLVLDGQVWOPO-UHFFFAOYSA-N 1 2 231.321 0.023 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)CCCO)s1 ZINC000358501343 386963573 /nfs/dbraw/zinc/96/35/73/386963573.db2.gz SJFLVLDGQVWOPO-UHFFFAOYSA-N 1 2 231.321 0.023 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]1O ZINC000341802092 386965214 /nfs/dbraw/zinc/96/52/14/386965214.db2.gz KOSSBLDWXDDXBQ-ZJUUUORDSA-N 1 2 237.303 0.714 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368394299 386969332 /nfs/dbraw/zinc/96/93/32/386969332.db2.gz UMDFUGKLZWEUNV-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368394299 386969336 /nfs/dbraw/zinc/96/93/36/386969336.db2.gz UMDFUGKLZWEUNV-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000358502524 386969631 /nfs/dbraw/zinc/96/96/31/386969631.db2.gz VKVNPUIQHFODRC-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000332308425 386970793 /nfs/dbraw/zinc/97/07/93/386970793.db2.gz MHYJNZUDUSNAIX-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ncccn1 ZINC000331156511 386977347 /nfs/dbraw/zinc/97/73/47/386977347.db2.gz JHVIEBLSVDRNRV-MNOVXSKESA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ncccn1 ZINC000331156511 386977351 /nfs/dbraw/zinc/97/73/51/386977351.db2.gz JHVIEBLSVDRNRV-MNOVXSKESA-N 1 2 237.303 0.448 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000353000274 386987039 /nfs/dbraw/zinc/98/70/39/386987039.db2.gz LECRXJREMVRRAG-ZJUUUORDSA-N 1 2 229.320 0.888 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000353000274 386987042 /nfs/dbraw/zinc/98/70/42/386987042.db2.gz LECRXJREMVRRAG-ZJUUUORDSA-N 1 2 229.320 0.888 20 0 BCADLO Cc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)no1 ZINC000331193520 386987161 /nfs/dbraw/zinc/98/71/61/386987161.db2.gz XYUGHAXIJZQXQI-ZYHUDNBSSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)no1 ZINC000331193520 386987162 /nfs/dbraw/zinc/98/71/62/386987162.db2.gz XYUGHAXIJZQXQI-ZYHUDNBSSA-N 1 2 240.303 0.955 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC2(C1)CCCOC2 ZINC000368566222 386988011 /nfs/dbraw/zinc/98/80/11/386988011.db2.gz HNTYXBSOJUPZGY-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528386447 386991846 /nfs/dbraw/zinc/99/18/46/386991846.db2.gz ICMYDRPIZZWVEE-DKSFEKEHSA-N 1 2 246.738 0.966 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528386447 386991849 /nfs/dbraw/zinc/99/18/49/386991849.db2.gz ICMYDRPIZZWVEE-DKSFEKEHSA-N 1 2 246.738 0.966 20 0 BCADLO COC[C@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCO1 ZINC000331222086 386991944 /nfs/dbraw/zinc/99/19/44/386991944.db2.gz CIYGPGSGLZUWLK-UWVGGRQHSA-N 1 2 241.291 0.662 20 0 BCADLO COC[C@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCO1 ZINC000331222087 386992638 /nfs/dbraw/zinc/99/26/38/386992638.db2.gz CIYGPGSGLZUWLK-VHSXEESVSA-N 1 2 241.291 0.662 20 0 BCADLO Cc1ccnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)n1 ZINC000331278664 386993809 /nfs/dbraw/zinc/99/38/09/386993809.db2.gz SJJRCRVESDJPOK-LDYMZIIASA-N 1 2 234.303 0.399 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332623837 386996203 /nfs/dbraw/zinc/99/62/03/386996203.db2.gz GTROKRQWTGVLFO-MWLCHTKSSA-N 1 2 238.335 0.952 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332623837 386996207 /nfs/dbraw/zinc/99/62/07/386996207.db2.gz GTROKRQWTGVLFO-MWLCHTKSSA-N 1 2 238.335 0.952 20 0 BCADLO COC[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCCO1 ZINC000331254040 386998269 /nfs/dbraw/zinc/99/82/69/386998269.db2.gz WKWSRDABXTWXCR-GHMZBOCLSA-N 1 2 237.303 0.760 20 0 BCADLO Cn1ncn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000332650903 386998695 /nfs/dbraw/zinc/99/86/95/386998695.db2.gz CUYSCKOBMRYKQT-UHFFFAOYSA-N 1 2 229.190 0.222 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000331265802 387000844 /nfs/dbraw/zinc/00/08/44/387000844.db2.gz HSVSNFWOSBDPNT-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000331262740 387001051 /nfs/dbraw/zinc/00/10/51/387001051.db2.gz DVGITVFFVKAAOX-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)C[C@@H]1OC ZINC000332712088 387002832 /nfs/dbraw/zinc/00/28/32/387002832.db2.gz PEDNKFZWHCQMQO-BBBLOLIVSA-N 1 2 240.307 0.222 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nncn2C)C[C@@H]1OC ZINC000332712088 387002836 /nfs/dbraw/zinc/00/28/36/387002836.db2.gz PEDNKFZWHCQMQO-BBBLOLIVSA-N 1 2 240.307 0.222 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncc(C)o2)C1 ZINC000332714692 387004058 /nfs/dbraw/zinc/00/40/58/387004058.db2.gz PRVKZTPKGZXEFH-UWVGGRQHSA-N 1 2 226.276 0.565 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ncc(C)o2)C1 ZINC000332714692 387004059 /nfs/dbraw/zinc/00/40/59/387004059.db2.gz PRVKZTPKGZXEFH-UWVGGRQHSA-N 1 2 226.276 0.565 20 0 BCADLO CCCCOCCNc1nc(C)[nH+]c(N)n1 ZINC000304568056 387005191 /nfs/dbraw/zinc/00/51/91/387005191.db2.gz ZONUMOBVFUBKDU-UHFFFAOYSA-N 1 2 225.296 0.991 20 0 BCADLO CCCCOCCNc1nc(N)nc(C)[nH+]1 ZINC000304568056 387005196 /nfs/dbraw/zinc/00/51/96/387005196.db2.gz ZONUMOBVFUBKDU-UHFFFAOYSA-N 1 2 225.296 0.991 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@H](F)C[C@H]1C(N)=O ZINC000332739636 387005302 /nfs/dbraw/zinc/00/53/02/387005302.db2.gz YLMKQXSNLYQDEB-APPZFPTMSA-N 1 2 226.255 0.868 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000332728473 387005321 /nfs/dbraw/zinc/00/53/21/387005321.db2.gz SYBNCOCCCJJGOE-MRVPVSSYSA-N 1 2 241.316 0.841 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000332728473 387005328 /nfs/dbraw/zinc/00/53/28/387005328.db2.gz SYBNCOCCCJJGOE-MRVPVSSYSA-N 1 2 241.316 0.841 20 0 BCADLO CCOc1nnc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000332740635 387006692 /nfs/dbraw/zinc/00/66/92/387006692.db2.gz YZCGILLVHSKUHO-MRVPVSSYSA-N 1 2 243.332 0.894 20 0 BCADLO CCOc1nnc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000332740635 387006695 /nfs/dbraw/zinc/00/66/95/387006695.db2.gz YZCGILLVHSKUHO-MRVPVSSYSA-N 1 2 243.332 0.894 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)CC(=O)N1CCC1 ZINC000332047723 386948715 /nfs/dbraw/zinc/94/87/15/386948715.db2.gz KZCAEXVANZAYRT-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)CC(=O)N1CCC1 ZINC000332047723 386948717 /nfs/dbraw/zinc/94/87/17/386948717.db2.gz KZCAEXVANZAYRT-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000519213254 387032162 /nfs/dbraw/zinc/03/21/62/387032162.db2.gz CQKYGXVHGGLBLU-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000519213254 387032165 /nfs/dbraw/zinc/03/21/65/387032165.db2.gz CQKYGXVHGGLBLU-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO c1c[nH]c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000333404461 387033319 /nfs/dbraw/zinc/03/33/19/387033319.db2.gz GETCHKHQMYIFRF-SNVBAGLBSA-N 1 2 232.291 0.838 20 0 BCADLO c1c[nH]c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000333404461 387033323 /nfs/dbraw/zinc/03/33/23/387033323.db2.gz GETCHKHQMYIFRF-SNVBAGLBSA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nn1 ZINC000333404461 387033327 /nfs/dbraw/zinc/03/33/27/387033327.db2.gz GETCHKHQMYIFRF-SNVBAGLBSA-N 1 2 232.291 0.838 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(C)n2C)C1 ZINC000107848110 387036343 /nfs/dbraw/zinc/03/63/43/387036343.db2.gz ZRTPQULPJYYBQZ-VIFPVBQESA-N 1 2 238.291 0.118 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000107848110 387036349 /nfs/dbraw/zinc/03/63/49/387036349.db2.gz ZRTPQULPJYYBQZ-VIFPVBQESA-N 1 2 238.291 0.118 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H](O)COCC)C(=O)OC ZINC000118005551 387036880 /nfs/dbraw/zinc/03/68/80/387036880.db2.gz JZRKVXUNWYCUCY-JQWIXIFHSA-N 1 2 247.335 0.705 20 0 BCADLO CO[C@@H](C[N@@H+]1CCN2C(=O)N=NC2C1)C1CC1 ZINC000333453275 387037196 /nfs/dbraw/zinc/03/71/96/387037196.db2.gz ZCKLXRQFSQRWLH-VIFPVBQESA-N 1 2 238.291 0.224 20 0 BCADLO CO[C@@H](C[N@H+]1CCN2C(=O)N=NC2C1)C1CC1 ZINC000333453275 387037201 /nfs/dbraw/zinc/03/72/01/387037201.db2.gz ZCKLXRQFSQRWLH-VIFPVBQESA-N 1 2 238.291 0.224 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000333463930 387037806 /nfs/dbraw/zinc/03/78/06/387037806.db2.gz MGESIGXIZIKSLI-LLVKDONJSA-N 1 2 247.306 0.244 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000333463930 387037809 /nfs/dbraw/zinc/03/78/09/387037809.db2.gz MGESIGXIZIKSLI-LLVKDONJSA-N 1 2 247.306 0.244 20 0 BCADLO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000333519568 387041208 /nfs/dbraw/zinc/04/12/08/387041208.db2.gz GSPYOAYTLIPCGL-NXEZZACHSA-N 1 2 239.323 0.647 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)n(C)n1 ZINC000334962134 387042504 /nfs/dbraw/zinc/04/25/04/387042504.db2.gz QODNOHNQDHKROZ-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)n(C)n1 ZINC000334962134 387042509 /nfs/dbraw/zinc/04/25/09/387042509.db2.gz QODNOHNQDHKROZ-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369410558 387043877 /nfs/dbraw/zinc/04/38/77/387043877.db2.gz SXKURXDVFNQIGC-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369410558 387043881 /nfs/dbraw/zinc/04/38/81/387043881.db2.gz SXKURXDVFNQIGC-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369410561 387044048 /nfs/dbraw/zinc/04/40/48/387044048.db2.gz SXKURXDVFNQIGC-UMNHJUIQSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369410561 387044052 /nfs/dbraw/zinc/04/40/52/387044052.db2.gz SXKURXDVFNQIGC-UMNHJUIQSA-N 1 2 243.303 0.428 20 0 BCADLO CCOCCOCC(=O)NCc1c[nH+]c[nH]1 ZINC000359112973 387056176 /nfs/dbraw/zinc/05/61/76/387056176.db2.gz BGOSQGYPGXXXNG-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO CCOCCOCC(=O)NCc1c[nH]c[nH+]1 ZINC000359112973 387056180 /nfs/dbraw/zinc/05/61/80/387056180.db2.gz BGOSQGYPGXXXNG-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO CCc1ccc(C[NH+]2CC(NC(C)=O)C2)cn1 ZINC000459578684 387063126 /nfs/dbraw/zinc/06/31/26/387063126.db2.gz ICODOCDTKOFRQA-UHFFFAOYSA-N 1 2 233.315 0.964 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368789584 387009929 /nfs/dbraw/zinc/00/99/29/387009929.db2.gz GXRDCKXGFDTNLA-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368789584 387009934 /nfs/dbraw/zinc/00/99/34/387009934.db2.gz GXRDCKXGFDTNLA-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO Cc1nnc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)[nH]1 ZINC000333034266 387012350 /nfs/dbraw/zinc/01/23/50/387012350.db2.gz CQFFPRNZARQFMV-ZJUUUORDSA-N 1 2 236.319 0.970 20 0 BCADLO Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)[nH]1 ZINC000333034266 387012353 /nfs/dbraw/zinc/01/23/53/387012353.db2.gz CQFFPRNZARQFMV-ZJUUUORDSA-N 1 2 236.319 0.970 20 0 BCADLO O=[S@]1CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000333008305 387013014 /nfs/dbraw/zinc/01/30/14/387013014.db2.gz FHHOJFWIOUPDCF-XYZCENFISA-N 1 2 247.323 0.985 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cnn(C)c2)C1 ZINC000425374123 387014781 /nfs/dbraw/zinc/01/47/81/387014781.db2.gz PBZDRWZXGLLSJY-UHFFFAOYSA-N 1 2 223.276 0.415 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2c[nH]nc2C)C1 ZINC000425373777 387015059 /nfs/dbraw/zinc/01/50/59/387015059.db2.gz NQLNNVGLEJQMGB-UHFFFAOYSA-N 1 2 223.276 0.713 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1ncc(C)cn1)C1CC1 ZINC000358833893 387020375 /nfs/dbraw/zinc/02/03/75/387020375.db2.gz NYXDRFVLZPSGFQ-LBPRGKRZSA-N 1 2 249.314 0.869 20 0 BCADLO COC[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000333244386 387023273 /nfs/dbraw/zinc/02/32/73/387023273.db2.gz WWQDJNHKACOYKT-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000333244386 387023274 /nfs/dbraw/zinc/02/32/74/387023274.db2.gz WWQDJNHKACOYKT-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)OC(C)C)C1CC1 ZINC000358851867 387024933 /nfs/dbraw/zinc/02/49/33/387024933.db2.gz NFCSXYVHMZTNOR-NSHDSACASA-N 1 2 243.303 0.869 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](C)O ZINC000334106849 387066277 /nfs/dbraw/zinc/06/62/77/387066277.db2.gz YMFSVMFPKGIKRI-POYBYMJQSA-N 1 2 211.265 0.607 20 0 BCADLO C[C@H](C[NH3+])NC(=O)c1cc(F)c(F)c(O)c1F ZINC000111303071 387073955 /nfs/dbraw/zinc/07/39/55/387073955.db2.gz VMGGACCMICQXHM-SCSAIBSYSA-N 1 2 248.204 0.887 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)CC1=CCCOC1 ZINC000359279188 387079814 /nfs/dbraw/zinc/07/98/14/387079814.db2.gz BKICRSDRGGHIMT-UHFFFAOYSA-N 1 2 236.319 0.984 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)CC1=CCCOC1 ZINC000359279188 387079817 /nfs/dbraw/zinc/07/98/17/387079817.db2.gz BKICRSDRGGHIMT-UHFFFAOYSA-N 1 2 236.319 0.984 20 0 BCADLO C[C@H](C(=O)N(C)C1CC1)[NH+]1CCN(C)CC1 ZINC000336247495 387082798 /nfs/dbraw/zinc/08/27/98/387082798.db2.gz MPLQKXKFKIUBFZ-SNVBAGLBSA-N 1 2 225.336 0.243 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000066563512 387086369 /nfs/dbraw/zinc/08/63/69/387086369.db2.gz OWOHRJSZAFWYBW-JTQLQIEISA-N 1 2 241.335 0.193 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000066563512 387086373 /nfs/dbraw/zinc/08/63/73/387086373.db2.gz OWOHRJSZAFWYBW-JTQLQIEISA-N 1 2 241.335 0.193 20 0 BCADLO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1(F)F ZINC000359345964 387088414 /nfs/dbraw/zinc/08/84/14/387088414.db2.gz WXYJPDMYTCRCLA-IWSPIJDZSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1(F)F ZINC000359345964 387088417 /nfs/dbraw/zinc/08/84/17/387088417.db2.gz WXYJPDMYTCRCLA-IWSPIJDZSA-N 1 2 248.273 0.334 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2C[C@H]2C)C1 ZINC000418080615 387089028 /nfs/dbraw/zinc/08/90/28/387089028.db2.gz ZZNNXGGVLOFEGS-BDAKNGLRSA-N 1 2 217.334 0.761 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259598 387089403 /nfs/dbraw/zinc/08/94/03/387089403.db2.gz NKXXQCCIRDAYGM-HTQZYQBOSA-N 1 2 200.257 0.697 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259598 387089406 /nfs/dbraw/zinc/08/94/06/387089406.db2.gz NKXXQCCIRDAYGM-HTQZYQBOSA-N 1 2 200.257 0.697 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC2CC2)C1 ZINC000418080248 387090527 /nfs/dbraw/zinc/09/05/27/387090527.db2.gz ZLDCFEOZUWWHMF-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(CCO)cn1 ZINC000352348781 387093604 /nfs/dbraw/zinc/09/36/04/387093604.db2.gz FELCYGMLNYULSU-UHFFFAOYSA-N 1 2 206.249 0.200 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N(C)C1CC1 ZINC000067457559 387096290 /nfs/dbraw/zinc/09/62/90/387096290.db2.gz GTSMIAUUMYTRKV-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N(C)C1CC1 ZINC000067457559 387096297 /nfs/dbraw/zinc/09/62/97/387096297.db2.gz GTSMIAUUMYTRKV-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC1(C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000228654297 387104555 /nfs/dbraw/zinc/10/45/55/387104555.db2.gz RVMXMIWKMHZTJQ-JTQLQIEISA-N 1 2 226.320 0.169 20 0 BCADLO O=C1CC[C@@H]([NH2+]Cc2ccn[nH]2)[C@H](C2CC2)N1 ZINC000370280425 387106452 /nfs/dbraw/zinc/10/64/52/387106452.db2.gz VPQSMHQSPGLWGC-PWSUYJOCSA-N 1 2 234.303 0.557 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@H](O)C1 ZINC000336301396 387131688 /nfs/dbraw/zinc/13/16/88/387131688.db2.gz GQOOFURALQMTSM-ZJUUUORDSA-N 1 2 237.303 0.919 20 0 BCADLO C[C@H](F)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000352360298 387110209 /nfs/dbraw/zinc/11/02/09/387110209.db2.gz FONUXJZYJRZHHI-RNJXMRFFSA-N 1 2 206.236 0.632 20 0 BCADLO C[C@H](F)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000352360298 387110214 /nfs/dbraw/zinc/11/02/14/387110214.db2.gz FONUXJZYJRZHHI-RNJXMRFFSA-N 1 2 206.236 0.632 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](O)C1 ZINC000370428090 387115725 /nfs/dbraw/zinc/11/57/25/387115725.db2.gz LUGOSJRPNSYNLH-WDEREUQCSA-N 1 2 249.314 0.429 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](O)C1 ZINC000370428089 387117405 /nfs/dbraw/zinc/11/74/05/387117405.db2.gz LUGOSJRPNSYNLH-QWRGUYRKSA-N 1 2 249.314 0.429 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186625166 387117840 /nfs/dbraw/zinc/11/78/40/387117840.db2.gz QUVWNSKVXMBHJH-LBPRGKRZSA-N 1 2 240.303 0.294 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186625166 387117844 /nfs/dbraw/zinc/11/78/44/387117844.db2.gz QUVWNSKVXMBHJH-LBPRGKRZSA-N 1 2 240.303 0.294 20 0 BCADLO NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186644519 387119289 /nfs/dbraw/zinc/11/92/89/387119289.db2.gz TXNWTKNWLMZRDI-CYBMUJFWSA-N 1 2 232.283 0.603 20 0 BCADLO NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186644519 387119294 /nfs/dbraw/zinc/11/92/94/387119294.db2.gz TXNWTKNWLMZRDI-CYBMUJFWSA-N 1 2 232.283 0.603 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186651944 387119718 /nfs/dbraw/zinc/11/97/18/387119718.db2.gz IZNFYCCFWPHRKG-GFCCVEGCSA-N 1 2 240.303 0.293 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186651944 387119722 /nfs/dbraw/zinc/11/97/22/387119722.db2.gz IZNFYCCFWPHRKG-GFCCVEGCSA-N 1 2 240.303 0.293 20 0 BCADLO O=C(N[C@H]1CC[NH2+]C1)c1cc(F)c(O)c(F)c1 ZINC000335028309 387122025 /nfs/dbraw/zinc/12/20/25/387122025.db2.gz HLALRHGCLZVRAE-ZETCQYMHSA-N 1 2 242.225 0.762 20 0 BCADLO CCN(CCOCCO)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000370534641 387125212 /nfs/dbraw/zinc/12/52/12/387125212.db2.gz UWWQRCDZQLDIJN-UTUOFQBUSA-N 1 2 244.335 0.142 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000336315457 387142096 /nfs/dbraw/zinc/14/20/96/387142096.db2.gz IYADARIMNNMBAE-ZJUUUORDSA-N 1 2 237.303 0.587 20 0 BCADLO COC(=O)C(C)(C)N(C)Cc1[nH+]ccn1C ZINC000353155743 387146181 /nfs/dbraw/zinc/14/61/81/387146181.db2.gz PQEHSIHQULQHRF-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N1CCC1 ZINC000359695407 387147928 /nfs/dbraw/zinc/14/79/28/387147928.db2.gz OCFTYGSXGNNDBO-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N1CCC1 ZINC000359695407 387147934 /nfs/dbraw/zinc/14/79/34/387147934.db2.gz OCFTYGSXGNNDBO-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)[C@H]1CCSC1 ZINC000120053241 387152943 /nfs/dbraw/zinc/15/29/43/387152943.db2.gz QVZAKLTUKDMPNQ-VIFPVBQESA-N 1 2 239.348 0.945 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)[C@H]1CCSC1 ZINC000120053241 387152945 /nfs/dbraw/zinc/15/29/45/387152945.db2.gz QVZAKLTUKDMPNQ-VIFPVBQESA-N 1 2 239.348 0.945 20 0 BCADLO CC(C)N(C)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000336323288 387152989 /nfs/dbraw/zinc/15/29/89/387152989.db2.gz NMLKOEOICWUWPW-UHFFFAOYSA-N 1 2 236.319 0.566 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC000187049563 387154247 /nfs/dbraw/zinc/15/42/47/387154247.db2.gz BZOVFMXUGKGBHZ-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC000187049563 387154252 /nfs/dbraw/zinc/15/42/52/387154252.db2.gz BZOVFMXUGKGBHZ-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1nocc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000336336259 387161620 /nfs/dbraw/zinc/16/16/20/387161620.db2.gz RRYBHQGWZGKRJL-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nocc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000336336259 387161625 /nfs/dbraw/zinc/16/16/25/387161625.db2.gz RRYBHQGWZGKRJL-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000353253947 387165901 /nfs/dbraw/zinc/16/59/01/387165901.db2.gz MWQOPUBXYMOYMA-QMMMGPOBSA-N 1 2 228.296 0.602 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000353253947 387165906 /nfs/dbraw/zinc/16/59/06/387165906.db2.gz MWQOPUBXYMOYMA-QMMMGPOBSA-N 1 2 228.296 0.602 20 0 BCADLO C[C@@H](CC(=O)NCC(F)(F)CO)n1cc[nH+]c1 ZINC000571808204 387174464 /nfs/dbraw/zinc/17/44/64/387174464.db2.gz NKVMEXRUUHXGNH-QMMMGPOBSA-N 1 2 247.245 0.578 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccno2)[C@@H](C)C1 ZINC000336350897 387181258 /nfs/dbraw/zinc/18/12/58/387181258.db2.gz PFKMJOVGRIBPQP-VIFPVBQESA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccno2)[C@@H](C)C1 ZINC000336350897 387181264 /nfs/dbraw/zinc/18/12/64/387181264.db2.gz PFKMJOVGRIBPQP-VIFPVBQESA-N 1 2 223.276 0.727 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC(F)C1 ZINC000336356242 387185573 /nfs/dbraw/zinc/18/55/73/387185573.db2.gz CZTIZONWICGZFO-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336359103 387189013 /nfs/dbraw/zinc/18/90/13/387189013.db2.gz DIYWRZNGSZTEHM-GHMZBOCLSA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336359103 387189019 /nfs/dbraw/zinc/18/90/19/387189019.db2.gz DIYWRZNGSZTEHM-GHMZBOCLSA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)N(C(=O)[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000336359980 387189524 /nfs/dbraw/zinc/18/95/24/387189524.db2.gz WZWCGOLMRNYHLV-NSHDSACASA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C(=O)[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000336359980 387189529 /nfs/dbraw/zinc/18/95/29/387189529.db2.gz WZWCGOLMRNYHLV-NSHDSACASA-N 1 2 226.320 0.716 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)CCc1cnccn1 ZINC000359601211 387132640 /nfs/dbraw/zinc/13/26/40/387132640.db2.gz SIDGVGLHINANHH-GFCCVEGCSA-N 1 2 249.314 0.903 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)CCc1cnccn1 ZINC000359601211 387132647 /nfs/dbraw/zinc/13/26/47/387132647.db2.gz SIDGVGLHINANHH-GFCCVEGCSA-N 1 2 249.314 0.903 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000359598761 387133058 /nfs/dbraw/zinc/13/30/58/387133058.db2.gz PDJWLSMRQITDHM-LLVKDONJSA-N 1 2 235.287 0.719 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000359598761 387133062 /nfs/dbraw/zinc/13/30/62/387133062.db2.gz PDJWLSMRQITDHM-LLVKDONJSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@H]1F ZINC000424592943 387202286 /nfs/dbraw/zinc/20/22/86/387202286.db2.gz PDQVKCGGGLZNFO-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000359987957 387207066 /nfs/dbraw/zinc/20/70/66/387207066.db2.gz WYNDPJYHXFCLKU-QWRGUYRKSA-N 1 2 239.319 0.918 20 0 BCADLO COc1cccnc1NC(=O)Cn1cc[nH+]c1 ZINC000571937644 387207145 /nfs/dbraw/zinc/20/71/45/387207145.db2.gz CNBZOXRCJSJJPK-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cn[nH]c1 ZINC000229956193 387208011 /nfs/dbraw/zinc/20/80/11/387208011.db2.gz AOVXYGHVLAHZKV-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO CC(C)[C@@](C)([NH2+]Cc1ccon1)C(N)=O ZINC000289283369 387211136 /nfs/dbraw/zinc/21/11/36/387211136.db2.gz GJSJPBWTDCLZTH-SNVBAGLBSA-N 1 2 211.265 0.664 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)[C@H]1CCCCNC1=O ZINC000120218597 387214275 /nfs/dbraw/zinc/21/42/75/387214275.db2.gz JYZISXVXRLCSJR-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)[C@H]1CCCCNC1=O ZINC000120218597 387214279 /nfs/dbraw/zinc/21/42/79/387214279.db2.gz JYZISXVXRLCSJR-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)n1 ZINC000230013954 387225872 /nfs/dbraw/zinc/22/58/72/387225872.db2.gz ZABOMIOWXCHSAD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)n1 ZINC000230013954 387225878 /nfs/dbraw/zinc/22/58/78/387225878.db2.gz ZABOMIOWXCHSAD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cnns1)[C@H](C)CO ZINC000330874764 387229810 /nfs/dbraw/zinc/22/98/10/387229810.db2.gz VXQPTDSYPDHXIG-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cnns1)[C@H](C)CO ZINC000330874764 387229817 /nfs/dbraw/zinc/22/98/17/387229817.db2.gz VXQPTDSYPDHXIG-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](CC(=O)NCc1[nH+]ccn1C)n1cccn1 ZINC000424642526 387230309 /nfs/dbraw/zinc/23/03/09/387230309.db2.gz KHHSCPSQCRMTOW-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000424663473 387242065 /nfs/dbraw/zinc/24/20/65/387242065.db2.gz ZSDSKCJUAPVXJE-JQWIXIFHSA-N 1 2 244.310 0.525 20 0 BCADLO CS(=O)(=O)[C@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000360200280 387242986 /nfs/dbraw/zinc/24/29/86/387242986.db2.gz VXJWSCMVBGPAEU-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CS(=O)(=O)[C@H]1CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000360200280 387242992 /nfs/dbraw/zinc/24/29/92/387242992.db2.gz VXJWSCMVBGPAEU-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CO[C@](C)(C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000360199540 387244396 /nfs/dbraw/zinc/24/43/96/387244396.db2.gz QUKHRUGAJDNUMZ-LBPRGKRZSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1[nH]c(C[N@H+](C)[C@H]2CC2(C)C)nc1=O ZINC000336420873 387250332 /nfs/dbraw/zinc/25/03/32/387250332.db2.gz QLRXMQCQBADSRW-ZETCQYMHSA-N 1 2 210.281 0.339 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CC2(C)C)nc1=O ZINC000336420873 387250337 /nfs/dbraw/zinc/25/03/37/387250337.db2.gz QLRXMQCQBADSRW-ZETCQYMHSA-N 1 2 210.281 0.339 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)C[C@H]1F ZINC000424587376 387194242 /nfs/dbraw/zinc/19/42/42/387194242.db2.gz UGEKNSZAXYZPEZ-PSASIEDQSA-N 1 2 211.240 0.747 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2cscn2)C1 ZINC000571895042 387195622 /nfs/dbraw/zinc/19/56/22/387195622.db2.gz PHXVDJGGSFNWAG-UHFFFAOYSA-N 1 2 211.290 0.463 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000360262258 387252354 /nfs/dbraw/zinc/25/23/54/387252354.db2.gz RDTFAESAPBFQHP-DTWKUNHWSA-N 1 2 225.292 0.945 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000360262258 387252360 /nfs/dbraw/zinc/25/23/60/387252360.db2.gz RDTFAESAPBFQHP-DTWKUNHWSA-N 1 2 225.292 0.945 20 0 BCADLO Cc1ccc2[nH+]c(CN3CC(=O)N(C)C3)cn2c1 ZINC000336368121 387199397 /nfs/dbraw/zinc/19/93/97/387199397.db2.gz JVZGITJWIDOSQP-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO CCC[C@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000286201251 387311495 /nfs/dbraw/zinc/31/14/95/387311495.db2.gz ARQYDIVSXGYYCR-QMMMGPOBSA-N 1 2 208.265 0.851 20 0 BCADLO CO[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000525923288 387264626 /nfs/dbraw/zinc/26/46/26/387264626.db2.gz BLEKTXIKSYPRCI-LLVKDONJSA-N 1 2 235.287 0.691 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(N)=O ZINC000285666083 387267916 /nfs/dbraw/zinc/26/79/16/387267916.db2.gz MJJNBFQAOCFNSC-WDSKDSINSA-N 1 2 229.230 0.884 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000372058344 387268955 /nfs/dbraw/zinc/26/89/55/387268955.db2.gz PTHDBNXOYHPRHI-JOYOIKCWSA-N 1 2 235.287 0.463 20 0 BCADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)N1CCCCC1 ZINC000336441815 387270008 /nfs/dbraw/zinc/27/00/08/387270008.db2.gz JABDSFQDNGVSSR-LBPRGKRZSA-N 1 2 244.310 0.405 20 0 BCADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)N1CCCCC1 ZINC000336441815 387270011 /nfs/dbraw/zinc/27/00/11/387270011.db2.gz JABDSFQDNGVSSR-LBPRGKRZSA-N 1 2 244.310 0.405 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000195010815 387278291 /nfs/dbraw/zinc/27/82/91/387278291.db2.gz OGNGADUFIZNDTM-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@H](O)C1 ZINC000195010815 387278297 /nfs/dbraw/zinc/27/82/97/387278297.db2.gz OGNGADUFIZNDTM-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000372339849 387291757 /nfs/dbraw/zinc/29/17/57/387291757.db2.gz WYYDICXMGNNCBO-KOLCDFICSA-N 1 2 240.303 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000372339849 387291759 /nfs/dbraw/zinc/29/17/59/387291759.db2.gz WYYDICXMGNNCBO-KOLCDFICSA-N 1 2 240.303 0.102 20 0 BCADLO CC(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858357 387295686 /nfs/dbraw/zinc/29/56/86/387295686.db2.gz XERPWBVDDJCFGL-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858357 387295690 /nfs/dbraw/zinc/29/56/90/387295690.db2.gz XERPWBVDDJCFGL-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC ZINC000336470210 387300004 /nfs/dbraw/zinc/30/00/04/387300004.db2.gz RQMGIAUFRVBREB-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC ZINC000336470210 387300010 /nfs/dbraw/zinc/30/00/10/387300010.db2.gz RQMGIAUFRVBREB-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000514922422 387307456 /nfs/dbraw/zinc/30/74/56/387307456.db2.gz SNHVSCZTXCMJAE-BQBZGAKWSA-N 1 2 223.219 0.861 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000514922422 387307461 /nfs/dbraw/zinc/30/74/61/387307461.db2.gz SNHVSCZTXCMJAE-BQBZGAKWSA-N 1 2 223.219 0.861 20 0 BCADLO COC(C[N@@H+]1CCO[C@@H](COC(C)C)C1)OC ZINC000372548059 387309001 /nfs/dbraw/zinc/30/90/01/387309001.db2.gz PTQNKLAUHYOVSR-LLVKDONJSA-N 1 2 247.335 0.731 20 0 BCADLO COC(C[N@H+]1CCO[C@@H](COC(C)C)C1)OC ZINC000372548059 387309005 /nfs/dbraw/zinc/30/90/05/387309005.db2.gz PTQNKLAUHYOVSR-LLVKDONJSA-N 1 2 247.335 0.731 20 0 BCADLO C[C@H](C(=O)NCCCCF)[NH+]1CCOCC1 ZINC000360819370 387354168 /nfs/dbraw/zinc/35/41/68/387354168.db2.gz QYBHHELUOGFCTH-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000354284699 387354946 /nfs/dbraw/zinc/35/49/46/387354946.db2.gz SWOISAPKJVXMIG-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000354284699 387354949 /nfs/dbraw/zinc/35/49/49/387354949.db2.gz SWOISAPKJVXMIG-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO CO[C@H](C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000352601531 387362252 /nfs/dbraw/zinc/36/22/52/387362252.db2.gz GWZNDKFHMQLXKS-JTQLQIEISA-N 1 2 225.292 0.707 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccncc1F ZINC000648587549 387362280 /nfs/dbraw/zinc/36/22/80/387362280.db2.gz DUQBHIUZKVAPBM-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccncc1F ZINC000648587549 387362285 /nfs/dbraw/zinc/36/22/85/387362285.db2.gz DUQBHIUZKVAPBM-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336541363 387364870 /nfs/dbraw/zinc/36/48/70/387364870.db2.gz HHVHODBZEQSYOL-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336541363 387364874 /nfs/dbraw/zinc/36/48/74/387364874.db2.gz HHVHODBZEQSYOL-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336549976 387370065 /nfs/dbraw/zinc/37/00/65/387370065.db2.gz ZJRZTDPUKIYWLR-PHIMTYICSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336549976 387370070 /nfs/dbraw/zinc/37/00/70/387370070.db2.gz ZJRZTDPUKIYWLR-PHIMTYICSA-N 1 2 226.320 0.716 20 0 BCADLO CN(Cc1ncon1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000515356545 387370055 /nfs/dbraw/zinc/37/00/55/387370055.db2.gz YASJFQIVMBCKDI-UHFFFAOYSA-N 1 2 238.291 0.370 20 0 BCADLO O=C1[C@H](N2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000336553470 387375407 /nfs/dbraw/zinc/37/54/07/387375407.db2.gz HBBPFJYWTZYPJZ-LLVKDONJSA-N 1 2 246.314 0.462 20 0 BCADLO CCOC(=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000515419965 387379109 /nfs/dbraw/zinc/37/91/09/387379109.db2.gz YVIANYRPQUHSCU-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cn(C)cn1 ZINC000515432913 387379410 /nfs/dbraw/zinc/37/94/10/387379410.db2.gz LQTOCGHXRRKNOY-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336557024 387381041 /nfs/dbraw/zinc/38/10/41/387381041.db2.gz XTXBIDXDGOPLHY-DTWKUNHWSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336557024 387381046 /nfs/dbraw/zinc/38/10/46/387381046.db2.gz XTXBIDXDGOPLHY-DTWKUNHWSA-N 1 2 202.273 0.897 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NC1CC1 ZINC000373598769 387382117 /nfs/dbraw/zinc/38/21/17/387382117.db2.gz VKANJMZTIAMNGD-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NC1CC1 ZINC000373598769 387382121 /nfs/dbraw/zinc/38/21/21/387382121.db2.gz VKANJMZTIAMNGD-NSHDSACASA-N 1 2 224.304 0.376 20 0 BCADLO C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOC1 ZINC000373578680 387382644 /nfs/dbraw/zinc/38/26/44/387382644.db2.gz BGWGEOFUSNELEY-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO CCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000372842231 387331944 /nfs/dbraw/zinc/33/19/44/387331944.db2.gz OMRSPWWYNHAKHM-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000372842231 387331952 /nfs/dbraw/zinc/33/19/52/387331952.db2.gz OMRSPWWYNHAKHM-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COC(F)F ZINC000352575937 387335210 /nfs/dbraw/zinc/33/52/10/387335210.db2.gz DTCXYUMHSVYUIF-UHFFFAOYSA-N 1 2 219.191 0.276 20 0 BCADLO CC[C@@](C)(O)CNC(=O)Cc1c[nH+]cn1C ZINC000548190653 387339695 /nfs/dbraw/zinc/33/96/95/387339695.db2.gz AIIDEVONIKSUGK-LLVKDONJSA-N 1 2 225.292 0.240 20 0 BCADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CCOC1 ZINC000572355536 387341240 /nfs/dbraw/zinc/34/12/40/387341240.db2.gz YSOITRFKQUFNQV-APPZFPTMSA-N 1 2 241.316 0.390 20 0 BCADLO COC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000360808964 387352934 /nfs/dbraw/zinc/35/29/34/387352934.db2.gz HOHFJSLTVYAHBQ-NSHDSACASA-N 1 2 233.271 0.952 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)C[C@@H](O)CO)[nH+]1 ZINC000354831199 387436808 /nfs/dbraw/zinc/43/68/08/387436808.db2.gz UPTGSUJFTHTIIM-MRVPVSSYSA-N 1 2 236.275 0.056 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698840 387443158 /nfs/dbraw/zinc/44/31/58/387443158.db2.gz NTTBDVVAZSLARU-DTWKUNHWSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698840 387443160 /nfs/dbraw/zinc/44/31/60/387443160.db2.gz NTTBDVVAZSLARU-DTWKUNHWSA-N 1 2 228.292 0.101 20 0 BCADLO O=C(COC(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000354886555 387443301 /nfs/dbraw/zinc/44/33/01/387443301.db2.gz YOMNOHZPYFQXDU-SSDOTTSWSA-N 1 2 245.229 0.553 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000374366435 387445792 /nfs/dbraw/zinc/44/57/92/387445792.db2.gz NUOPIVDCVUTARI-JTQLQIEISA-N 1 2 235.349 0.389 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOC[C@@H](C)C1 ZINC000374366435 387445794 /nfs/dbraw/zinc/44/57/94/387445794.db2.gz NUOPIVDCVUTARI-JTQLQIEISA-N 1 2 235.349 0.389 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000374340492 387446072 /nfs/dbraw/zinc/44/60/72/387446072.db2.gz KJYYONHASLJGSB-SECBINFHSA-N 1 2 245.286 0.773 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000374340492 387446077 /nfs/dbraw/zinc/44/60/77/387446077.db2.gz KJYYONHASLJGSB-SECBINFHSA-N 1 2 245.286 0.773 20 0 BCADLO CC(C)(CCO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000354912710 387447860 /nfs/dbraw/zinc/44/78/60/387447860.db2.gz AGBMYFSHTNQRDN-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000361385241 387453009 /nfs/dbraw/zinc/45/30/09/387453009.db2.gz OTRPEMMYXQYJED-LLVKDONJSA-N 1 2 235.287 0.163 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000361385241 387453014 /nfs/dbraw/zinc/45/30/14/387453014.db2.gz OTRPEMMYXQYJED-LLVKDONJSA-N 1 2 235.287 0.163 20 0 BCADLO Cc1cc(NC(=O)N(C)[C@@H]2CCNC2=O)cc[nH+]1 ZINC000336614301 387455670 /nfs/dbraw/zinc/45/56/70/387455670.db2.gz QBUYCTSJTPMNGG-SNVBAGLBSA-N 1 2 248.286 0.164 20 0 BCADLO CC(C)[N@H+](Cc1ncnn1C)[C@@H]1CCOC1 ZINC000361419782 387459366 /nfs/dbraw/zinc/45/93/66/387459366.db2.gz HNDCKEXBLXWILB-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1ncnn1C)[C@@H]1CCOC1 ZINC000361419782 387459372 /nfs/dbraw/zinc/45/93/72/387459372.db2.gz HNDCKEXBLXWILB-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO Cn1nncc1C(=O)NCCCCn1cc[nH+]c1 ZINC000515479159 387386943 /nfs/dbraw/zinc/38/69/43/387386943.db2.gz DYHOLEGDBBCPIP-UHFFFAOYSA-N 1 2 248.290 0.222 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCO ZINC000082784277 387388226 /nfs/dbraw/zinc/38/82/26/387388226.db2.gz NRYGWPOQOSESQX-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCO ZINC000082784277 387388232 /nfs/dbraw/zinc/38/82/32/387388232.db2.gz NRYGWPOQOSESQX-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)O)C2 ZINC000373785283 387396378 /nfs/dbraw/zinc/39/63/78/387396378.db2.gz CJJGGOUPXGSTJP-VIFPVBQESA-N 1 2 237.303 0.393 20 0 BCADLO CCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336574531 387397994 /nfs/dbraw/zinc/39/79/94/387397994.db2.gz IOMWZLMIYCERCF-VIFPVBQESA-N 1 2 243.332 0.559 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000303796469 387398915 /nfs/dbraw/zinc/39/89/15/387398915.db2.gz BBNHYKJNPVGPSJ-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000303796469 387398920 /nfs/dbraw/zinc/39/89/20/387398920.db2.gz BBNHYKJNPVGPSJ-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO CCc1ncc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000423740644 387405161 /nfs/dbraw/zinc/40/51/61/387405161.db2.gz JCFHWYWFORQSDN-MRVPVSSYSA-N 1 2 238.316 0.640 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373936974 387405465 /nfs/dbraw/zinc/40/54/65/387405465.db2.gz XKAXCTWCRLWSBK-JQWIXIFHSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373936974 387405469 /nfs/dbraw/zinc/40/54/69/387405469.db2.gz XKAXCTWCRLWSBK-JQWIXIFHSA-N 1 2 247.298 0.972 20 0 BCADLO COC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000354625900 387405792 /nfs/dbraw/zinc/40/57/92/387405792.db2.gz PMPHEXDIFOFAEO-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cncc(F)c1 ZINC000336585431 387409794 /nfs/dbraw/zinc/40/97/94/387409794.db2.gz WXBOXAJKYAIOFN-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)NCc1ccco1 ZINC000374027628 387411971 /nfs/dbraw/zinc/41/19/71/387411971.db2.gz RTRHXWPILZRYCP-UHFFFAOYSA-N 1 2 238.287 0.618 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)NCc1ccco1 ZINC000374027628 387411976 /nfs/dbraw/zinc/41/19/76/387411976.db2.gz RTRHXWPILZRYCP-UHFFFAOYSA-N 1 2 238.287 0.618 20 0 BCADLO CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000361187422 387413220 /nfs/dbraw/zinc/41/32/20/387413220.db2.gz ITJJJRMIEWRJFY-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCn1c[nH+]cc1CN1CN(C)C(=O)[C@@H]1C ZINC000648074670 387416807 /nfs/dbraw/zinc/41/68/07/387416807.db2.gz IBHFIJCSOGCVEG-VIFPVBQESA-N 1 2 222.292 0.523 20 0 BCADLO CCn1c[nH+]cc1CN1CN(C)C(=O)[C@H]1C ZINC000648074669 387417016 /nfs/dbraw/zinc/41/70/16/387417016.db2.gz IBHFIJCSOGCVEG-SECBINFHSA-N 1 2 222.292 0.523 20 0 BCADLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423768649 387417822 /nfs/dbraw/zinc/41/78/22/387417822.db2.gz FNBZZJLSZJJZFB-CIUDSAMLSA-N 1 2 248.273 0.403 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@@H]2O)sc1C ZINC000352805902 387495871 /nfs/dbraw/zinc/49/58/71/387495871.db2.gz SVSIRRYVOHENKP-UWVGGRQHSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@@H]2O)sc1C ZINC000352805902 387495877 /nfs/dbraw/zinc/49/58/77/387495877.db2.gz SVSIRRYVOHENKP-UWVGGRQHSA-N 1 2 242.344 0.951 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000361639265 387516303 /nfs/dbraw/zinc/51/63/03/387516303.db2.gz NYLHGKFZSGKAJC-VHSXEESVSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000361639265 387516307 /nfs/dbraw/zinc/51/63/07/387516307.db2.gz NYLHGKFZSGKAJC-VHSXEESVSA-N 1 2 247.335 0.656 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000192802931 387517710 /nfs/dbraw/zinc/51/77/10/387517710.db2.gz UZQIUGFYXSKFJJ-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000192802931 387517715 /nfs/dbraw/zinc/51/77/15/387517715.db2.gz UZQIUGFYXSKFJJ-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000527182346 387519022 /nfs/dbraw/zinc/51/90/22/387519022.db2.gz FHBSQVGURNRCLU-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000527182346 387519028 /nfs/dbraw/zinc/51/90/28/387519028.db2.gz FHBSQVGURNRCLU-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO Cc1nc(NC(=O)CCc2c[nH+]cn2C)n[nH]1 ZINC000527244228 387543930 /nfs/dbraw/zinc/54/39/30/387543930.db2.gz QDQSEZSDDZGYOW-UHFFFAOYSA-N 1 2 234.263 0.418 20 0 BCADLO Cc1nnc(NC(=O)CCc2c[nH+]cn2C)[nH]1 ZINC000527244228 387543933 /nfs/dbraw/zinc/54/39/33/387543933.db2.gz QDQSEZSDDZGYOW-UHFFFAOYSA-N 1 2 234.263 0.418 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104796183 387523573 /nfs/dbraw/zinc/52/35/73/387523573.db2.gz AEZARXYURKRZIF-OPRDCNLKSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104796183 387523577 /nfs/dbraw/zinc/52/35/77/387523577.db2.gz AEZARXYURKRZIF-OPRDCNLKSA-N 1 2 227.308 0.025 20 0 BCADLO CC[C@H]1COCCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192721772 387526342 /nfs/dbraw/zinc/52/63/42/387526342.db2.gz VENOGXOEJQZNQK-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1COCCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192721772 387526345 /nfs/dbraw/zinc/52/63/45/387526345.db2.gz VENOGXOEJQZNQK-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H]1O ZINC000425763417 387527482 /nfs/dbraw/zinc/52/74/82/387527482.db2.gz DAOXLVZNHDVIBW-RKDXNWHRSA-N 1 2 238.291 0.226 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000304943245 387529416 /nfs/dbraw/zinc/52/94/16/387529416.db2.gz OKYAXKQMRVVDKZ-NXEZZACHSA-N 1 2 237.303 0.600 20 0 BCADLO CCCn1ncnc1C[NH2+][C@](C)(CC)C(N)=O ZINC000310169178 387534062 /nfs/dbraw/zinc/53/40/62/387534062.db2.gz ONMXVCYVLNTVES-LLVKDONJSA-N 1 2 239.323 0.432 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000527208218 387534582 /nfs/dbraw/zinc/53/45/82/387534582.db2.gz UNYGGUBZARRVIZ-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000527208218 387534586 /nfs/dbraw/zinc/53/45/86/387534586.db2.gz UNYGGUBZARRVIZ-KXUCPTDWSA-N 1 2 212.293 0.326 20 0 BCADLO CCn1c[nH+]cc1CN1CC(OCCOC)C1 ZINC000417970362 387537430 /nfs/dbraw/zinc/53/74/30/387537430.db2.gz RIMZGJUTBDXSCH-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834867 387540584 /nfs/dbraw/zinc/54/05/84/387540584.db2.gz XNHUOZCHWKZHKM-PSASIEDQSA-N 1 2 237.307 0.790 20 0 BCADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834867 387540587 /nfs/dbraw/zinc/54/05/87/387540587.db2.gz XNHUOZCHWKZHKM-PSASIEDQSA-N 1 2 237.307 0.790 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C[C@H](C)O)n1C ZINC000304322474 387463277 /nfs/dbraw/zinc/46/32/77/387463277.db2.gz PUFDQIVFCVFKOJ-VIFPVBQESA-N 1 2 226.324 0.751 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C[C@H](C)O)n1C ZINC000304322474 387463281 /nfs/dbraw/zinc/46/32/81/387463281.db2.gz PUFDQIVFCVFKOJ-VIFPVBQESA-N 1 2 226.324 0.751 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000352731518 387464947 /nfs/dbraw/zinc/46/49/47/387464947.db2.gz JHVZDYKUEQCPNG-SECBINFHSA-N 1 2 211.265 0.085 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cn(C)nn1 ZINC000361845622 387541825 /nfs/dbraw/zinc/54/18/25/387541825.db2.gz PMRRBCZDNGOSCS-MRVPVSSYSA-N 1 2 249.278 0.222 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355038069 387467588 /nfs/dbraw/zinc/46/75/88/387467588.db2.gz ALVXXYWVLRTBPE-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355038069 387467593 /nfs/dbraw/zinc/46/75/93/387467593.db2.gz ALVXXYWVLRTBPE-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO Cc1nocc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000352769847 387469322 /nfs/dbraw/zinc/46/93/22/387469322.db2.gz ODRJUQFXOHTFCV-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1nocc1C[N@H+](C)CCNC(=O)N(C)C ZINC000352769847 387469326 /nfs/dbraw/zinc/46/93/26/387469326.db2.gz ODRJUQFXOHTFCV-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355051386 387470672 /nfs/dbraw/zinc/47/06/72/387470672.db2.gz NJCGKDCMMFGGDD-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355051386 387470676 /nfs/dbraw/zinc/47/06/76/387470676.db2.gz NJCGKDCMMFGGDD-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO C[C@@H](CO)[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361495640 387471452 /nfs/dbraw/zinc/47/14/52/387471452.db2.gz GNKPADXEPYHSGW-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H](CO)[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361495640 387471455 /nfs/dbraw/zinc/47/14/55/387471455.db2.gz GNKPADXEPYHSGW-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)O1 ZINC000151130536 387471702 /nfs/dbraw/zinc/47/17/02/387471702.db2.gz DBLRDODMJLUAQB-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000151130536 387471706 /nfs/dbraw/zinc/47/17/06/387471706.db2.gz DBLRDODMJLUAQB-GMTAPVOTSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000361506322 387473400 /nfs/dbraw/zinc/47/34/00/387473400.db2.gz FBWKUKGXOGJCJX-QMMMGPOBSA-N 1 2 227.312 0.241 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000361506322 387473404 /nfs/dbraw/zinc/47/34/04/387473404.db2.gz FBWKUKGXOGJCJX-QMMMGPOBSA-N 1 2 227.312 0.241 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000361508074 387476395 /nfs/dbraw/zinc/47/63/95/387476395.db2.gz IOFRVNUBXDFHBI-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000361508074 387476398 /nfs/dbraw/zinc/47/63/98/387476398.db2.gz IOFRVNUBXDFHBI-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@H]1CCOC1)CC2 ZINC000374660071 387478352 /nfs/dbraw/zinc/47/83/52/387478352.db2.gz JDQCAPKGQAQXFS-LLVKDONJSA-N 1 2 249.314 0.960 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCCOC1 ZINC000336632933 387485000 /nfs/dbraw/zinc/48/50/00/387485000.db2.gz MWLWVZILXVINDE-NSHDSACASA-N 1 2 223.276 0.843 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCCOC1 ZINC000336632933 387485005 /nfs/dbraw/zinc/48/50/05/387485005.db2.gz MWLWVZILXVINDE-NSHDSACASA-N 1 2 223.276 0.843 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]nc1C)CC2 ZINC000374711952 387486174 /nfs/dbraw/zinc/48/61/74/387486174.db2.gz SBTPLRWWMLPQJS-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO COC(=O)[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374708762 387486176 /nfs/dbraw/zinc/48/61/76/387486176.db2.gz CIGPEOKDLDHXMK-VIFPVBQESA-N 1 2 223.276 0.569 20 0 BCADLO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1nnnn1C ZINC000361560585 387491202 /nfs/dbraw/zinc/49/12/02/387491202.db2.gz HBAXJFIKNKIMAK-RKDXNWHRSA-N 1 2 227.312 0.628 20 0 BCADLO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1nnnn1C ZINC000361560585 387491204 /nfs/dbraw/zinc/49/12/04/387491204.db2.gz HBAXJFIKNKIMAK-RKDXNWHRSA-N 1 2 227.312 0.628 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000516310662 387493411 /nfs/dbraw/zinc/49/34/11/387493411.db2.gz MOKYEKWYHLKMJP-JTQLQIEISA-N 1 2 210.281 0.111 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCn2nncc2C1 ZINC000516310662 387493415 /nfs/dbraw/zinc/49/34/15/387493415.db2.gz MOKYEKWYHLKMJP-JTQLQIEISA-N 1 2 210.281 0.111 20 0 BCADLO Cc1cc(CNC(=O)NC[C@@H](C)O)cc(C)[nH+]1 ZINC000422209589 387581159 /nfs/dbraw/zinc/58/11/59/387581159.db2.gz OATCPFGFSPFLHE-SNVBAGLBSA-N 1 2 237.303 0.878 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCCNC1=O ZINC000362223811 387585906 /nfs/dbraw/zinc/58/59/06/387585906.db2.gz TUVOGDJZLXWDJP-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000362223811 387585909 /nfs/dbraw/zinc/58/59/09/387585909.db2.gz TUVOGDJZLXWDJP-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)NC(C)(C)C1=O ZINC000123557160 387586309 /nfs/dbraw/zinc/58/63/09/387586309.db2.gz WWWYNBQWYRRTMQ-UHFFFAOYSA-N 1 2 222.248 0.251 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1(C)CCC1 ZINC000426707802 387586766 /nfs/dbraw/zinc/58/67/66/387586766.db2.gz CXRGDBGNHJHEKL-UHFFFAOYSA-N 1 2 240.347 0.967 20 0 BCADLO c1nnc(C[NH+]2CCC3(CC2)OCCO3)[nH]1 ZINC000575540789 387590787 /nfs/dbraw/zinc/59/07/87/387590787.db2.gz WJWMGUHQQFPJJE-UHFFFAOYSA-N 1 2 224.264 0.144 20 0 BCADLO c1nc(C[NH+]2CCC3(CC2)OCCO3)n[nH]1 ZINC000575540789 387590791 /nfs/dbraw/zinc/59/07/91/387590791.db2.gz WJWMGUHQQFPJJE-UHFFFAOYSA-N 1 2 224.264 0.144 20 0 BCADLO Cc1nnc(NC(=O)CCc2[nH]cc[nH+]2)n1C ZINC000355911694 387594224 /nfs/dbraw/zinc/59/42/24/387594224.db2.gz MEZQREINUWZJRK-UHFFFAOYSA-N 1 2 234.263 0.418 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375949772 387596753 /nfs/dbraw/zinc/59/67/53/387596753.db2.gz YQUADZQHXCBTLR-LSYCYVAJSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375949772 387596757 /nfs/dbraw/zinc/59/67/57/387596757.db2.gz YQUADZQHXCBTLR-LSYCYVAJSA-N 1 2 246.376 0.164 20 0 BCADLO CC1=C[C@H](C)C[N@H+](Cc2nnnn2C)C1 ZINC000430267807 387604047 /nfs/dbraw/zinc/60/40/47/387604047.db2.gz LHJUSUDSRDAFPC-QMMMGPOBSA-N 1 2 207.281 0.608 20 0 BCADLO CC1=C[C@H](C)C[N@@H+](Cc2nnnn2C)C1 ZINC000430267807 387604051 /nfs/dbraw/zinc/60/40/51/387604051.db2.gz LHJUSUDSRDAFPC-QMMMGPOBSA-N 1 2 207.281 0.608 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000122835839 387606686 /nfs/dbraw/zinc/60/66/86/387606686.db2.gz LXRHFGLLAKCDLI-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000122835839 387606690 /nfs/dbraw/zinc/60/66/90/387606690.db2.gz LXRHFGLLAKCDLI-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000124212815 387607288 /nfs/dbraw/zinc/60/72/88/387607288.db2.gz IIVWSHAGQSBINH-RYUDHWBXSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000124212815 387607292 /nfs/dbraw/zinc/60/72/92/387607292.db2.gz IIVWSHAGQSBINH-RYUDHWBXSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)ccn1 ZINC000527539049 387609376 /nfs/dbraw/zinc/60/93/76/387609376.db2.gz OPUOACYJTDWOSV-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)ccn1 ZINC000527539049 387609379 /nfs/dbraw/zinc/60/93/79/387609379.db2.gz OPUOACYJTDWOSV-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO O=C(c1cc(F)c(O)c(F)c1)N1CC[NH2+]CC1 ZINC000422703385 387618277 /nfs/dbraw/zinc/61/82/77/387618277.db2.gz MZYFZCXMOWPBPI-UHFFFAOYSA-N 1 2 242.225 0.716 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000356124650 387619674 /nfs/dbraw/zinc/61/96/74/387619674.db2.gz JWLJMNCALGBELW-VIFPVBQESA-N 1 2 208.265 0.038 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H]1CCNC1=O ZINC000356124650 387619679 /nfs/dbraw/zinc/61/96/79/387619679.db2.gz JWLJMNCALGBELW-VIFPVBQESA-N 1 2 208.265 0.038 20 0 BCADLO Cc1cocc1C(=O)N1CC[NH+](C)CC1 ZINC000527533127 387622916 /nfs/dbraw/zinc/62/29/16/387622916.db2.gz MGODDMBHYUZBPH-UHFFFAOYSA-N 1 2 208.261 0.976 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC2(COC2)C1 ZINC000527532644 387623258 /nfs/dbraw/zinc/62/32/58/387623258.db2.gz GGVGCGKSDHWMFV-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccn1 ZINC000527532291 387623462 /nfs/dbraw/zinc/62/34/62/387623462.db2.gz CWMNEWMSVYOBDJ-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccn1 ZINC000527532291 387623466 /nfs/dbraw/zinc/62/34/66/387623466.db2.gz CWMNEWMSVYOBDJ-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccno3)[C@@H]12 ZINC000376333229 387623474 /nfs/dbraw/zinc/62/34/74/387623474.db2.gz MZNFTQFYFVWDNS-PSASIEDQSA-N 1 2 222.244 0.812 20 0 BCADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccno3)[C@@H]12 ZINC000376333229 387623477 /nfs/dbraw/zinc/62/34/77/387623477.db2.gz MZNFTQFYFVWDNS-PSASIEDQSA-N 1 2 222.244 0.812 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000361866041 387546707 /nfs/dbraw/zinc/54/67/07/387546707.db2.gz SAZAWEMNXQJDEC-VIFPVBQESA-N 1 2 225.317 0.386 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000361866041 387546712 /nfs/dbraw/zinc/54/67/12/387546712.db2.gz SAZAWEMNXQJDEC-VIFPVBQESA-N 1 2 225.317 0.386 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1CCn1cccn1 ZINC000361986364 387559511 /nfs/dbraw/zinc/55/95/11/387559511.db2.gz QDEUOEAHYSDWFI-SNVBAGLBSA-N 1 2 232.291 0.551 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1CCn1cccn1 ZINC000361986364 387559516 /nfs/dbraw/zinc/55/95/16/387559516.db2.gz QDEUOEAHYSDWFI-SNVBAGLBSA-N 1 2 232.291 0.551 20 0 BCADLO C[C@]1(CO)C[N@@H+](Cc2ncc[nH]2)C[C@@]1(C)CO ZINC000528750990 387560200 /nfs/dbraw/zinc/56/02/00/387560200.db2.gz FBTYVJIDDYHGJR-TXEJJXNPSA-N 1 2 239.319 0.223 20 0 BCADLO C[C@]1(CO)C[N@H+](Cc2ncc[nH]2)C[C@@]1(C)CO ZINC000528750990 387560204 /nfs/dbraw/zinc/56/02/04/387560204.db2.gz FBTYVJIDDYHGJR-TXEJJXNPSA-N 1 2 239.319 0.223 20 0 BCADLO CNS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367210347 387573377 /nfs/dbraw/zinc/57/33/77/387573377.db2.gz CKQNHHHIRLFRFT-SSDOTTSWSA-N 1 2 230.293 0.011 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399887633 387574565 /nfs/dbraw/zinc/57/45/65/387574565.db2.gz GTFCLACMYQHTGC-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399887633 387574569 /nfs/dbraw/zinc/57/45/69/387574569.db2.gz GTFCLACMYQHTGC-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000399866615 387575377 /nfs/dbraw/zinc/57/53/77/387575377.db2.gz AIMFBPFCDHWRNM-JTQLQIEISA-N 1 2 247.298 0.756 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000399866615 387575383 /nfs/dbraw/zinc/57/53/83/387575383.db2.gz AIMFBPFCDHWRNM-JTQLQIEISA-N 1 2 247.298 0.756 20 0 BCADLO COCC[N@H+](Cc1cocn1)[C@@H]1CCOC1 ZINC000426523617 387578222 /nfs/dbraw/zinc/57/82/22/387578222.db2.gz OMBFTXBYUOIUFX-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COCC[N@@H+](Cc1cocn1)[C@@H]1CCOC1 ZINC000426523617 387578227 /nfs/dbraw/zinc/57/82/27/387578227.db2.gz OMBFTXBYUOIUFX-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO CC[C@H]1C[N@H+](Cc2noc(COC)n2)C[C@H]1O ZINC000356252784 387633453 /nfs/dbraw/zinc/63/34/53/387633453.db2.gz LPOHHQPFKSDBDQ-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2noc(COC)n2)C[C@H]1O ZINC000356252784 387633456 /nfs/dbraw/zinc/63/34/56/387633456.db2.gz LPOHHQPFKSDBDQ-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000356290499 387638561 /nfs/dbraw/zinc/63/85/61/387638561.db2.gz BOVUCXIJPAKJEY-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@H](CO)COC(C)C ZINC000356290499 387638564 /nfs/dbraw/zinc/63/85/64/387638564.db2.gz BOVUCXIJPAKJEY-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000356290499 387638570 /nfs/dbraw/zinc/63/85/70/387638570.db2.gz BOVUCXIJPAKJEY-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H](CO)COC(C)C ZINC000356290499 387638573 /nfs/dbraw/zinc/63/85/73/387638573.db2.gz BOVUCXIJPAKJEY-LLVKDONJSA-N 1 2 241.335 0.936 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000527756500 387694931 /nfs/dbraw/zinc/69/49/31/387694931.db2.gz DXVNYXREHROEJY-VHSXEESVSA-N 1 2 211.265 0.039 20 0 BCADLO c1ncn2c1C[N@H+](Cc1cncnc1)CC2 ZINC000356293683 387640457 /nfs/dbraw/zinc/64/04/57/387640457.db2.gz LNZBUAUPADLQRV-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1ncn2c1C[N@@H+](Cc1cncnc1)CC2 ZINC000356293683 387640462 /nfs/dbraw/zinc/64/04/62/387640462.db2.gz LNZBUAUPADLQRV-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn(C3CC3)c2)CC1 ZINC000527634051 387644585 /nfs/dbraw/zinc/64/45/85/387644585.db2.gz UQCRTBUEKJJFJC-UHFFFAOYSA-N 1 2 234.303 0.606 20 0 BCADLO Cc1c(NC(=O)CCn2cc[nH+]c2)cnn1C ZINC000362659918 387646101 /nfs/dbraw/zinc/64/61/01/387646101.db2.gz YHSKIGIKCFEQAT-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOC1CCC1 ZINC000376515663 387647610 /nfs/dbraw/zinc/64/76/10/387647610.db2.gz SVVRCGDLBIMOCL-MWLCHTKSSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOC1CCC1 ZINC000376515663 387647613 /nfs/dbraw/zinc/64/76/13/387647613.db2.gz SVVRCGDLBIMOCL-MWLCHTKSSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)C1(C)C[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000424134807 387647875 /nfs/dbraw/zinc/64/78/75/387647875.db2.gz NXKGUVDDIFOPJQ-LURJTMIESA-N 1 2 241.209 0.405 20 0 BCADLO COC(=O)C1(C)C[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000424134809 387648349 /nfs/dbraw/zinc/64/83/49/387648349.db2.gz NXKGUVDDIFOPJQ-ZCFIWIBFSA-N 1 2 241.209 0.405 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cccnn1 ZINC000527645577 387652392 /nfs/dbraw/zinc/65/23/92/387652392.db2.gz ZQFZPVYZMNYLSL-UHFFFAOYSA-N 1 2 231.259 0.493 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000356461530 387662515 /nfs/dbraw/zinc/66/25/15/387662515.db2.gz SWEBKIDWUCSZLE-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000356461530 387662518 /nfs/dbraw/zinc/66/25/18/387662518.db2.gz SWEBKIDWUCSZLE-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CC(C)c1noc(C[N@H+](C)CCOCCO)n1 ZINC000305971981 387668535 /nfs/dbraw/zinc/66/85/35/387668535.db2.gz GVOWNSCZLYJSFL-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO CC(C)c1noc(C[N@@H+](C)CCOCCO)n1 ZINC000305971981 387668540 /nfs/dbraw/zinc/66/85/40/387668540.db2.gz GVOWNSCZLYJSFL-UHFFFAOYSA-N 1 2 243.307 0.634 20 0 BCADLO CC[C@@H](F)C[N@H+](C)CC(=O)NC1CC1 ZINC000440707479 387675980 /nfs/dbraw/zinc/67/59/80/387675980.db2.gz YQWINRAHTABQLW-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)CC(=O)NC1CC1 ZINC000440707479 387675982 /nfs/dbraw/zinc/67/59/82/387675982.db2.gz YQWINRAHTABQLW-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO Cn1nnc(CNCc2cccc3[nH+]ccn32)n1 ZINC000362953383 387677673 /nfs/dbraw/zinc/67/76/73/387677673.db2.gz AFGFSZHJZFIALA-UHFFFAOYSA-N 1 2 243.274 0.148 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376957916 387681427 /nfs/dbraw/zinc/68/14/27/387681427.db2.gz MJXOOQLNKLUAHO-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO CCn1ncc(C[NH2+]Cc2c(C)nnn2CC)n1 ZINC000527735440 387682322 /nfs/dbraw/zinc/68/23/22/387682322.db2.gz ORAXQHSSCPQESR-UHFFFAOYSA-N 1 2 249.322 0.508 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cccc(OC)n2)n1 ZINC000527735438 387682561 /nfs/dbraw/zinc/68/25/61/387682561.db2.gz OQJMZHPJSUXRKY-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CC[N@H+](CCCO)Cc1ncnn1CCF ZINC000440772559 387691066 /nfs/dbraw/zinc/69/10/66/387691066.db2.gz HBGUPNHTVGCJIM-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO CC[N@@H+](CCCO)Cc1ncnn1CCF ZINC000440772559 387691068 /nfs/dbraw/zinc/69/10/68/387691068.db2.gz HBGUPNHTVGCJIM-UHFFFAOYSA-N 1 2 230.287 0.452 20 0 BCADLO C[C@H](C(=O)NCC[C@H](C)F)[NH+]1CCN(C)CC1 ZINC000356682286 387698117 /nfs/dbraw/zinc/69/81/17/387698117.db2.gz KSMLJPWOWORTKS-WDEREUQCSA-N 1 2 245.342 0.487 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000440791608 387699205 /nfs/dbraw/zinc/69/92/05/387699205.db2.gz OYEKQQWMMYCFHD-HTQZYQBOSA-N 1 2 220.313 0.637 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000440791608 387699207 /nfs/dbraw/zinc/69/92/07/387699207.db2.gz OYEKQQWMMYCFHD-HTQZYQBOSA-N 1 2 220.313 0.637 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440787951 387700068 /nfs/dbraw/zinc/70/00/68/387700068.db2.gz TZBQQZUSNXZLNZ-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440787951 387700075 /nfs/dbraw/zinc/70/00/75/387700075.db2.gz TZBQQZUSNXZLNZ-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000431386937 387705752 /nfs/dbraw/zinc/70/57/52/387705752.db2.gz QESDQVJPLJNEKT-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000431386937 387705756 /nfs/dbraw/zinc/70/57/56/387705756.db2.gz QESDQVJPLJNEKT-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377338542 387710077 /nfs/dbraw/zinc/71/00/77/387710077.db2.gz YWIVTCAFCIXBKX-CHWFTXMASA-N 1 2 224.304 0.184 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377338542 387710083 /nfs/dbraw/zinc/71/00/83/387710083.db2.gz YWIVTCAFCIXBKX-CHWFTXMASA-N 1 2 224.304 0.184 20 0 BCADLO COC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000452042700 387711600 /nfs/dbraw/zinc/71/16/00/387711600.db2.gz UPSMZMLVMYBRLG-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000452042700 387711608 /nfs/dbraw/zinc/71/16/08/387711608.db2.gz UPSMZMLVMYBRLG-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000127517873 387714871 /nfs/dbraw/zinc/71/48/71/387714871.db2.gz BXXLKMCODYHYLO-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000127517873 387714876 /nfs/dbraw/zinc/71/48/76/387714876.db2.gz BXXLKMCODYHYLO-NXEZZACHSA-N 1 2 233.308 0.266 20 0 BCADLO CC(F)(F)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000377405742 387716889 /nfs/dbraw/zinc/71/68/89/387716889.db2.gz UOOOSOMKCFZCRA-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO CC(F)(F)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000377405742 387716897 /nfs/dbraw/zinc/71/68/97/387716897.db2.gz UOOOSOMKCFZCRA-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO O=C(CC1CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127605671 387718410 /nfs/dbraw/zinc/71/84/10/387718410.db2.gz KFWRHYDOHPEDRK-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(CC1CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127605671 387718415 /nfs/dbraw/zinc/71/84/15/387718415.db2.gz KFWRHYDOHPEDRK-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)[nH]1 ZINC000452067314 387721035 /nfs/dbraw/zinc/72/10/35/387721035.db2.gz IDVKKGFDAXESRQ-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)[nH]1 ZINC000452067314 387721037 /nfs/dbraw/zinc/72/10/37/387721037.db2.gz IDVKKGFDAXESRQ-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452068790 387722415 /nfs/dbraw/zinc/72/24/15/387722415.db2.gz OWCPAHPKOGSDMQ-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452068790 387722422 /nfs/dbraw/zinc/72/24/22/387722422.db2.gz OWCPAHPKOGSDMQ-ZJUUUORDSA-N 1 2 239.323 0.457 20 0 BCADLO CC(F)(F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377999736 387761931 /nfs/dbraw/zinc/76/19/31/387761931.db2.gz XTYVBSKNFKQGOJ-UHFFFAOYSA-N 1 2 215.203 0.881 20 0 BCADLO Cc1nonc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378108794 387765275 /nfs/dbraw/zinc/76/52/75/387765275.db2.gz BXCIGGSCLFHNTP-UHFFFAOYSA-N 1 2 233.231 0.231 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)O)C2 ZINC000378306173 387775136 /nfs/dbraw/zinc/77/51/36/387775136.db2.gz JNMJNYSLWSBNTQ-DTWKUNHWSA-N 1 2 223.276 0.003 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527958191 387784751 /nfs/dbraw/zinc/78/47/51/387784751.db2.gz VDSRLOVXJJBOLE-AXTRIDKLSA-N 1 2 239.319 0.909 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000378486260 387786366 /nfs/dbraw/zinc/78/63/66/387786366.db2.gz DANZMRZLJBFLKQ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000378486260 387786372 /nfs/dbraw/zinc/78/63/72/387786372.db2.gz DANZMRZLJBFLKQ-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO c1cn(C2C[NH+](Cc3cccnc3)C2)nn1 ZINC000378550099 387788744 /nfs/dbraw/zinc/78/87/44/387788744.db2.gz NUIGPGCJZVAYIM-UHFFFAOYSA-N 1 2 215.260 0.730 20 0 BCADLO CNC(=O)[C@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000528037475 387821068 /nfs/dbraw/zinc/82/10/68/387821068.db2.gz IXTOKLXSVNONOG-VIFPVBQESA-N 1 2 235.287 0.663 20 0 BCADLO O=C(CSC1CC1)N1CC[NH+](CCO)CC1 ZINC000448672786 387821340 /nfs/dbraw/zinc/82/13/40/387821340.db2.gz JFWGNSWMIVDOLV-UHFFFAOYSA-N 1 2 244.360 0.019 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H]2COC[C@H](C1)O2 ZINC000528009135 387822268 /nfs/dbraw/zinc/82/22/68/387822268.db2.gz GUTISSKQEZQYGV-AOOOYVTPSA-N 1 2 236.271 0.694 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)C(C)C)C1CC1 ZINC000432821222 387827680 /nfs/dbraw/zinc/82/76/80/387827680.db2.gz WKNNFXOBUZMLPK-SNVBAGLBSA-N 1 2 215.293 0.641 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)C(C)C)C1CC1 ZINC000432821222 387827682 /nfs/dbraw/zinc/82/76/82/387827682.db2.gz WKNNFXOBUZMLPK-SNVBAGLBSA-N 1 2 215.293 0.641 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)nn1 ZINC000054858793 387829703 /nfs/dbraw/zinc/82/97/03/387829703.db2.gz PQLZWSKARFWPGK-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO Cn1cc(CNC[C@H](c2ccco2)[NH+](C)C)nn1 ZINC000054858760 387830505 /nfs/dbraw/zinc/83/05/05/387830505.db2.gz AVAZZHZDBKYPOB-LLVKDONJSA-N 1 2 249.318 0.801 20 0 BCADLO C[NH+](C)CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000442803225 387843707 /nfs/dbraw/zinc/84/37/07/387843707.db2.gz UCQOSXFJSOFZIL-UHFFFAOYSA-N 1 2 245.286 0.972 20 0 BCADLO C[C@H]1CC[S@](=O)CCN1Cc1[nH+]ccn1C ZINC000433029502 387853314 /nfs/dbraw/zinc/85/33/14/387853314.db2.gz SGKIHZJBIOVLIU-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193727399 387861349 /nfs/dbraw/zinc/86/13/49/387861349.db2.gz LTKPJEIWWHMFIH-LBPRGKRZSA-N 1 2 227.304 0.847 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193727399 387861351 /nfs/dbraw/zinc/86/13/51/387861351.db2.gz LTKPJEIWWHMFIH-LBPRGKRZSA-N 1 2 227.304 0.847 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193722335 387862630 /nfs/dbraw/zinc/86/26/30/387862630.db2.gz DOBRYYVWKPXOKE-NSHDSACASA-N 1 2 213.277 0.457 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193722335 387862633 /nfs/dbraw/zinc/86/26/33/387862633.db2.gz DOBRYYVWKPXOKE-NSHDSACASA-N 1 2 213.277 0.457 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626187 387862916 /nfs/dbraw/zinc/86/29/16/387862916.db2.gz XGKOVVTWLULKOF-IONNQARKSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626187 387862920 /nfs/dbraw/zinc/86/29/20/387862920.db2.gz XGKOVVTWLULKOF-IONNQARKSA-N 1 2 223.276 0.896 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000194060110 387871411 /nfs/dbraw/zinc/87/14/11/387871411.db2.gz KOKXLZDOJXBXAW-NSHDSACASA-N 1 2 247.302 0.193 20 0 BCADLO C=Cn1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000194060110 387871414 /nfs/dbraw/zinc/87/14/14/387871414.db2.gz KOKXLZDOJXBXAW-NSHDSACASA-N 1 2 247.302 0.193 20 0 BCADLO O[C@@H]1C[NH+](Cc2nc3ccccc3[nH]2)C[C@H]1O ZINC000236524547 387894564 /nfs/dbraw/zinc/89/45/64/387894564.db2.gz KUYMBNIJQHMWIK-GHMZBOCLSA-N 1 2 233.271 0.100 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccncn1 ZINC000548639344 387887837 /nfs/dbraw/zinc/88/78/37/387887837.db2.gz AGEFIVAXOXPCLG-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO C/C(Cl)=C\C[NH+]1CCN(CC(N)=O)CC1 ZINC000528343995 387901424 /nfs/dbraw/zinc/90/14/24/387901424.db2.gz GNOAGPVBOPIIOV-XNWCZRBMSA-N 1 2 231.727 0.232 20 0 BCADLO C/C(Cl)=C\CN1CC[NH+](CC(N)=O)CC1 ZINC000528343995 387901430 /nfs/dbraw/zinc/90/14/30/387901430.db2.gz GNOAGPVBOPIIOV-XNWCZRBMSA-N 1 2 231.727 0.232 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H]1CCCNC1=O ZINC000438472362 387937203 /nfs/dbraw/zinc/93/72/03/387937203.db2.gz XPSUCFTZKCUPAA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H]1CCCNC1=O ZINC000438472362 387937211 /nfs/dbraw/zinc/93/72/11/387937211.db2.gz XPSUCFTZKCUPAA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCSCC[NH2+]Cc1nnn(C)n1 ZINC000330363479 387921797 /nfs/dbraw/zinc/92/17/97/387921797.db2.gz HHBBVNXACSIMIG-UHFFFAOYSA-N 1 2 201.299 0.053 20 0 BCADLO CCC[C@@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000444772571 387927864 /nfs/dbraw/zinc/92/78/64/387927864.db2.gz OEBJEULHOXMSTM-NSHDSACASA-N 1 2 240.307 0.637 20 0 BCADLO CCC[C@@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000444772571 387927867 /nfs/dbraw/zinc/92/78/67/387927867.db2.gz OEBJEULHOXMSTM-NSHDSACASA-N 1 2 240.307 0.637 20 0 BCADLO Cc1cc(NC(=O)NCc2cccnn2)cc[nH+]1 ZINC000444937041 387938587 /nfs/dbraw/zinc/93/85/87/387938587.db2.gz OENXODHPJAPGHH-UHFFFAOYSA-N 1 2 243.270 0.924 20 0 BCADLO COC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000648713160 387942336 /nfs/dbraw/zinc/94/23/36/387942336.db2.gz LWAVXECOBXIQNN-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO C[N@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158476613 387950779 /nfs/dbraw/zinc/95/07/79/387950779.db2.gz RRMXQMUGJOKKKW-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO C[N@@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158476613 387950782 /nfs/dbraw/zinc/95/07/82/387950782.db2.gz RRMXQMUGJOKKKW-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445869490 387976358 /nfs/dbraw/zinc/97/63/58/387976358.db2.gz QSMAXNNNFDVDRY-UHFFFAOYSA-N 1 2 239.344 0.980 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445869490 387976364 /nfs/dbraw/zinc/97/63/64/387976364.db2.gz QSMAXNNNFDVDRY-UHFFFAOYSA-N 1 2 239.344 0.980 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H](C)O1 ZINC000439290977 387991072 /nfs/dbraw/zinc/99/10/72/387991072.db2.gz CYIDKDPMYYBHLQ-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H](C)O1 ZINC000439290977 387991075 /nfs/dbraw/zinc/99/10/75/387991075.db2.gz CYIDKDPMYYBHLQ-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)[C@H](C)O1 ZINC000446069717 387992544 /nfs/dbraw/zinc/99/25/44/387992544.db2.gz FYBUOZOSFUEQIU-VGMNWLOBSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)[C@H](C)O1 ZINC000446069717 387992546 /nfs/dbraw/zinc/99/25/46/387992546.db2.gz FYBUOZOSFUEQIU-VGMNWLOBSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@H](C)[C@H](C)O1 ZINC000446067722 387992767 /nfs/dbraw/zinc/99/27/67/387992767.db2.gz BPJWTIBPGKLZNV-BBBLOLIVSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](C)[C@H](C)O1 ZINC000446067722 387992772 /nfs/dbraw/zinc/99/27/72/387992772.db2.gz BPJWTIBPGKLZNV-BBBLOLIVSA-N 1 2 226.320 0.763 20 0 BCADLO CCc1nnc(C[NH2+][C@](C)(CC)C(N)=O)[nH]1 ZINC000159302035 388006202 /nfs/dbraw/zinc/00/62/02/388006202.db2.gz MJKVNDZPZJYQEU-SNVBAGLBSA-N 1 2 225.296 0.111 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cn1 ZINC000246100777 388008660 /nfs/dbraw/zinc/00/86/60/388008660.db2.gz JFUPFQVOJXJRQG-CHWSQXEVSA-N 1 2 249.314 0.856 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cn1 ZINC000246100777 388008662 /nfs/dbraw/zinc/00/86/62/388008662.db2.gz JFUPFQVOJXJRQG-CHWSQXEVSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CCO[C@H](C)C1 ZINC000246097207 388009098 /nfs/dbraw/zinc/00/90/98/388009098.db2.gz OIIDEUMAGHDKTL-VXGBXAGGSA-N 1 2 228.336 0.428 20 0 BCADLO C[NH+](C)[C@@H](CNC(=O)c1cn[nH]n1)c1ccco1 ZINC000108285541 388024168 /nfs/dbraw/zinc/02/41/68/388024168.db2.gz BUHFNGLPXJDDTM-VIFPVBQESA-N 1 2 249.274 0.430 20 0 BCADLO C[NH+](C)[C@@H](CNC(=O)c1cnn[nH]1)c1ccco1 ZINC000108285541 388024173 /nfs/dbraw/zinc/02/41/73/388024173.db2.gz BUHFNGLPXJDDTM-VIFPVBQESA-N 1 2 249.274 0.430 20 0 BCADLO CC[C@@H](F)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000440694426 388067750 /nfs/dbraw/zinc/06/77/50/388067750.db2.gz QNCXRMGMEAJOJJ-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000440694426 388067753 /nfs/dbraw/zinc/06/77/53/388067753.db2.gz QNCXRMGMEAJOJJ-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO COCC[N@H+](C)Cc1ncnn1CCF ZINC000440696963 388068276 /nfs/dbraw/zinc/06/82/76/388068276.db2.gz KGGFEVSHPRADBT-UHFFFAOYSA-N 1 2 216.260 0.326 20 0 BCADLO COCC[N@@H+](C)Cc1ncnn1CCF ZINC000440696963 388068280 /nfs/dbraw/zinc/06/82/80/388068280.db2.gz KGGFEVSHPRADBT-UHFFFAOYSA-N 1 2 216.260 0.326 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000083995426 388068426 /nfs/dbraw/zinc/06/84/26/388068426.db2.gz KSIULZPDRXHRFJ-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000083995426 388068428 /nfs/dbraw/zinc/06/84/28/388068428.db2.gz KSIULZPDRXHRFJ-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CC[C@@H](F)C[N@H+](CCOC)CC(=O)N(C)C ZINC000440697434 388069296 /nfs/dbraw/zinc/06/92/96/388069296.db2.gz VXAAAOYTLHAGIJ-SNVBAGLBSA-N 1 2 234.315 0.771 20 0 BCADLO CC[C@@H](F)C[N@@H+](CCOC)CC(=O)N(C)C ZINC000440697434 388069300 /nfs/dbraw/zinc/06/93/00/388069300.db2.gz VXAAAOYTLHAGIJ-SNVBAGLBSA-N 1 2 234.315 0.771 20 0 BCADLO CC(C)[N@H+](CCO)Cc1ncnn1CCF ZINC000440700897 388071629 /nfs/dbraw/zinc/07/16/29/388071629.db2.gz ZKFRYYPGRCEARN-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1ncnn1CCF ZINC000440700897 388071630 /nfs/dbraw/zinc/07/16/30/388071630.db2.gz ZKFRYYPGRCEARN-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO CCc1nc(C[NH2+][C@@H](CO)[C@H]2CCCO2)no1 ZINC000447914820 388101974 /nfs/dbraw/zinc/10/19/74/388101974.db2.gz PYZWDSJXMMBNBI-DTWKUNHWSA-N 1 2 241.291 0.262 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000645925642 388102716 /nfs/dbraw/zinc/10/27/16/388102716.db2.gz IAQIJOYEZHLAKF-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(C2CC2)nn1C ZINC000645925642 388102720 /nfs/dbraw/zinc/10/27/20/388102720.db2.gz IAQIJOYEZHLAKF-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO CCc1nc(C[NH2+][C@H](CO)[C@H]2CCCO2)no1 ZINC000447914823 388102802 /nfs/dbraw/zinc/10/28/02/388102802.db2.gz PYZWDSJXMMBNBI-RKDXNWHRSA-N 1 2 241.291 0.262 20 0 BCADLO Cc1cnc(C[NH2+][C@H](CO)[C@H]2CCCO2)nc1 ZINC000447923448 388104036 /nfs/dbraw/zinc/10/40/36/388104036.db2.gz SJWBXGSKWDSBCP-GHMZBOCLSA-N 1 2 237.303 0.415 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cnc(N)s1 ZINC000086766054 388108413 /nfs/dbraw/zinc/10/84/13/388108413.db2.gz NZVVFKWEKRANEH-UHFFFAOYSA-N 1 2 242.348 0.682 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cnc(N)s1 ZINC000086766054 388108414 /nfs/dbraw/zinc/10/84/14/388108414.db2.gz NZVVFKWEKRANEH-UHFFFAOYSA-N 1 2 242.348 0.682 20 0 BCADLO CCc1nc(C(=O)NCc2[nH+]ccn2CC)no1 ZINC000454291105 388112761 /nfs/dbraw/zinc/11/27/61/388112761.db2.gz PFGFUHSSCGMXNH-UHFFFAOYSA-N 1 2 249.274 0.778 20 0 BCADLO COC[C@H]1CCCC[N@H+](Cc2nnn(C)n2)C1 ZINC000440495999 388045809 /nfs/dbraw/zinc/04/58/09/388045809.db2.gz MZATWHYXFUDVOE-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO COC[C@H]1CCCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000440495999 388045812 /nfs/dbraw/zinc/04/58/12/388045812.db2.gz MZATWHYXFUDVOE-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO CC1=C[C@H](C)C[N@H+](Cc2nnn(C)n2)C1 ZINC000440528640 388048638 /nfs/dbraw/zinc/04/86/38/388048638.db2.gz FGJVEOBMQRMJMX-QMMMGPOBSA-N 1 2 207.281 0.608 20 0 BCADLO CC1=C[C@H](C)C[N@@H+](Cc2nnn(C)n2)C1 ZINC000440528640 388048640 /nfs/dbraw/zinc/04/86/40/388048640.db2.gz FGJVEOBMQRMJMX-QMMMGPOBSA-N 1 2 207.281 0.608 20 0 BCADLO Cc1nccc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000646259657 388171348 /nfs/dbraw/zinc/17/13/48/388171348.db2.gz QSWDCIYWDUOGGA-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO Cc1nccc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000646259657 388171350 /nfs/dbraw/zinc/17/13/50/388171350.db2.gz QSWDCIYWDUOGGA-UHFFFAOYSA-N 1 2 243.270 0.707 20 0 BCADLO CC[C@H](OC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257841 388171918 /nfs/dbraw/zinc/17/19/18/388171918.db2.gz MLTZJVYNSYDZCF-JTQLQIEISA-N 1 2 223.276 0.719 20 0 BCADLO CC[C@H](OC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257841 388171919 /nfs/dbraw/zinc/17/19/19/388171919.db2.gz MLTZJVYNSYDZCF-JTQLQIEISA-N 1 2 223.276 0.719 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260981 388172663 /nfs/dbraw/zinc/17/26/63/388172663.db2.gz VVJQYMFNUBIHKC-BDAKNGLRSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260981 388172665 /nfs/dbraw/zinc/17/26/65/388172665.db2.gz VVJQYMFNUBIHKC-BDAKNGLRSA-N 1 2 235.287 0.719 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC000250418293 388174964 /nfs/dbraw/zinc/17/49/64/388174964.db2.gz BLFTXLAKAVAZGT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC000250418293 388174967 /nfs/dbraw/zinc/17/49/67/388174967.db2.gz BLFTXLAKAVAZGT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000152150482 388176929 /nfs/dbraw/zinc/17/69/29/388176929.db2.gz ISOIROPIMXDOHL-WDEREUQCSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000152150482 388176931 /nfs/dbraw/zinc/17/69/31/388176931.db2.gz ISOIROPIMXDOHL-WDEREUQCSA-N 1 2 236.271 0.435 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000448879352 388117056 /nfs/dbraw/zinc/11/70/56/388117056.db2.gz ZZRZXARGYXJJMA-VXGBXAGGSA-N 1 2 240.347 0.823 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000448915158 388119924 /nfs/dbraw/zinc/11/99/24/388119924.db2.gz VSSSBHRYEQSADG-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000448915158 388119926 /nfs/dbraw/zinc/11/99/26/388119926.db2.gz VSSSBHRYEQSADG-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H](C)[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033556 388129912 /nfs/dbraw/zinc/12/99/12/388129912.db2.gz LFBBHZASCXGPFC-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO CC[C@@H](C)[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033556 388129914 /nfs/dbraw/zinc/12/99/14/388129914.db2.gz LFBBHZASCXGPFC-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO CC(C)C[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036543 388130288 /nfs/dbraw/zinc/13/02/88/388130288.db2.gz JZTFSHGKBBLYIN-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CC(C)C[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036543 388130291 /nfs/dbraw/zinc/13/02/91/388130291.db2.gz JZTFSHGKBBLYIN-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO COc1nccnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000449030177 388132453 /nfs/dbraw/zinc/13/24/53/388132453.db2.gz RDIGMDHLIJKNSP-SNVBAGLBSA-N 1 2 237.303 0.954 20 0 BCADLO COc1nccnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000449030177 388132454 /nfs/dbraw/zinc/13/24/54/388132454.db2.gz RDIGMDHLIJKNSP-SNVBAGLBSA-N 1 2 237.303 0.954 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1c[nH+]c2ccccn12 ZINC000646127173 388148854 /nfs/dbraw/zinc/14/88/54/388148854.db2.gz XIWQAMUFWZWXFU-JTQLQIEISA-N 1 2 244.298 0.954 20 0 BCADLO CCNC(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645939068 388253788 /nfs/dbraw/zinc/25/37/88/388253788.db2.gz GVNYLCMVSMNIBA-VIFPVBQESA-N 1 2 247.289 0.148 20 0 BCADLO CCNC(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645939068 388253790 /nfs/dbraw/zinc/25/37/90/388253790.db2.gz GVNYLCMVSMNIBA-VIFPVBQESA-N 1 2 247.289 0.148 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@H](CO)C2)c1 ZINC000166040244 388253896 /nfs/dbraw/zinc/25/38/96/388253896.db2.gz PHIUHBVHJIERHF-SNVBAGLBSA-N 1 2 208.261 0.393 20 0 BCADLO CCCN(CC(N)=O)c1cc[nH+]c(C)n1 ZINC000488745952 388192587 /nfs/dbraw/zinc/19/25/87/388192587.db2.gz BUCMPYWMAKZCSO-UHFFFAOYSA-N 1 2 208.265 0.487 20 0 BCADLO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000164284141 388201737 /nfs/dbraw/zinc/20/17/37/388201737.db2.gz QYKIFKZSRMFNLD-IONNQARKSA-N 1 2 215.322 0.612 20 0 BCADLO COC[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000517793617 256551827 /nfs/dbraw/zinc/55/18/27/256551827.db2.gz HCJCEKLXJVWHBH-JTQLQIEISA-N 1 2 223.276 0.424 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449519670 388222898 /nfs/dbraw/zinc/22/28/98/388222898.db2.gz CERUHJYNPQMEPM-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449519670 388222900 /nfs/dbraw/zinc/22/29/00/388222900.db2.gz CERUHJYNPQMEPM-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO CC1(C(N)=O)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000518175267 256560812 /nfs/dbraw/zinc/56/08/12/256560812.db2.gz DKTDCICVVWQYJZ-UHFFFAOYSA-N 1 2 247.302 0.363 20 0 BCADLO CC1(C(N)=O)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000518175267 256560814 /nfs/dbraw/zinc/56/08/14/256560814.db2.gz DKTDCICVVWQYJZ-UHFFFAOYSA-N 1 2 247.302 0.363 20 0 BCADLO Cc1cc(N2C[C@H](O)C3(CC3)C2)nc[nH+]1 ZINC000489916707 388228397 /nfs/dbraw/zinc/22/83/97/388228397.db2.gz JCURZKLKTBKCSD-VIFPVBQESA-N 1 2 205.261 0.746 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639298 388287162 /nfs/dbraw/zinc/28/71/62/388287162.db2.gz HPBKWBYERYNJTR-QWRGUYRKSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639298 388287164 /nfs/dbraw/zinc/28/71/64/388287164.db2.gz HPBKWBYERYNJTR-QWRGUYRKSA-N 1 2 228.336 0.604 20 0 BCADLO C[C@@H](O)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451846357 388300374 /nfs/dbraw/zinc/30/03/74/388300374.db2.gz YJJSASGVQRPYAN-HTQZYQBOSA-N 1 2 211.252 0.705 20 0 BCADLO C[C@@H](O)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451846357 388300375 /nfs/dbraw/zinc/30/03/75/388300375.db2.gz YJJSASGVQRPYAN-HTQZYQBOSA-N 1 2 211.252 0.705 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/C2CCC2)C1 ZINC000492039551 388332342 /nfs/dbraw/zinc/33/23/42/388332342.db2.gz AHXXNVMRVKOCPS-FYJFLYSWSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/C2CCC2)C1 ZINC000492039551 388332343 /nfs/dbraw/zinc/33/23/43/388332343.db2.gz AHXXNVMRVKOCPS-FYJFLYSWSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\C1CC1 ZINC000491951611 388329381 /nfs/dbraw/zinc/32/93/81/388329381.db2.gz XIBPJBQRNAIWBO-DOGVGXBMSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\C1CC1 ZINC000491951611 388329382 /nfs/dbraw/zinc/32/93/82/388329382.db2.gz XIBPJBQRNAIWBO-DOGVGXBMSA-N 1 2 238.331 0.790 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436748 388273119 /nfs/dbraw/zinc/27/31/19/388273119.db2.gz SEBDARAVJSSODE-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436748 388273120 /nfs/dbraw/zinc/27/31/20/388273120.db2.gz SEBDARAVJSSODE-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000451453379 388274899 /nfs/dbraw/zinc/27/48/99/388274899.db2.gz IGPPIACPFMETJY-IUCAKERBSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000451453379 388274901 /nfs/dbraw/zinc/27/49/01/388274901.db2.gz IGPPIACPFMETJY-IUCAKERBSA-N 1 2 240.307 0.481 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2noc3c2CCCC3)C1 ZINC000645957483 388275786 /nfs/dbraw/zinc/27/57/86/388275786.db2.gz ILJLEHHOQRNVKZ-UHFFFAOYSA-N 1 2 249.314 0.861 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451507442 388278393 /nfs/dbraw/zinc/27/83/93/388278393.db2.gz WYXMKGYPAASMDB-SFGNSQDASA-N 1 2 215.293 0.809 20 0 BCADLO CCN1CCN(c2cc(C)[nH+]cn2)[C@H](C)C1=O ZINC000491237032 388279230 /nfs/dbraw/zinc/27/92/30/388279230.db2.gz QAFGGUMXAWUHDG-SNVBAGLBSA-N 1 2 234.303 0.842 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000492291961 388340743 /nfs/dbraw/zinc/34/07/43/388340743.db2.gz VIRUPCOWCPQOOO-MRVPVSSYSA-N 1 2 244.291 0.368 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CO1 ZINC000162240446 388348241 /nfs/dbraw/zinc/34/82/41/388348241.db2.gz YMGNKECIXGORCA-JGVFFNPUSA-N 1 2 209.249 0.451 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305826263 388350714 /nfs/dbraw/zinc/35/07/14/388350714.db2.gz SQGHXSABIJGCPW-MNOVXSKESA-N 1 2 238.335 0.798 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305826263 388350716 /nfs/dbraw/zinc/35/07/16/388350716.db2.gz SQGHXSABIJGCPW-MNOVXSKESA-N 1 2 238.335 0.798 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CO)C2)n1C ZINC000304311606 388357137 /nfs/dbraw/zinc/35/71/37/388357137.db2.gz QLOTWPRNTMFLTA-SNVBAGLBSA-N 1 2 238.335 0.753 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CO)C2)n1C ZINC000304311606 388357140 /nfs/dbraw/zinc/35/71/40/388357140.db2.gz QLOTWPRNTMFLTA-SNVBAGLBSA-N 1 2 238.335 0.753 20 0 BCADLO Cn1ncc(CNC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000293681634 388357985 /nfs/dbraw/zinc/35/79/85/388357985.db2.gz AMRKQRNBICCATP-NSHDSACASA-N 1 2 249.318 0.801 20 0 BCADLO CCn1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000648791541 388360271 /nfs/dbraw/zinc/36/02/71/388360271.db2.gz CJDOVJRFHDYDSV-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000648791541 388360273 /nfs/dbraw/zinc/36/02/73/388360273.db2.gz CJDOVJRFHDYDSV-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@](C)(O)C1 ZINC000163788884 388367405 /nfs/dbraw/zinc/36/74/05/388367405.db2.gz OPDOTMPIRMAUNY-NSHDSACASA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@](C)(O)C1 ZINC000163788884 388367407 /nfs/dbraw/zinc/36/74/07/388367407.db2.gz OPDOTMPIRMAUNY-NSHDSACASA-N 1 2 238.291 0.419 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305761960 388373966 /nfs/dbraw/zinc/37/39/66/388373966.db2.gz MBQUCYNYAAREGK-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305761960 388373968 /nfs/dbraw/zinc/37/39/68/388373968.db2.gz MBQUCYNYAAREGK-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ccnc1 ZINC000572777594 388375739 /nfs/dbraw/zinc/37/57/39/388375739.db2.gz KUJBXRLNPACVMP-JTQLQIEISA-N 1 2 233.275 0.285 20 0 BCADLO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000572819698 388379066 /nfs/dbraw/zinc/37/90/66/388379066.db2.gz WJMFXUXZPONRJY-MRVPVSSYSA-N 1 2 238.295 0.403 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000572873821 388383090 /nfs/dbraw/zinc/38/30/90/388383090.db2.gz HZSQIKCKEAMZSK-MNOVXSKESA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000572873821 388383092 /nfs/dbraw/zinc/38/30/92/388383092.db2.gz HZSQIKCKEAMZSK-MNOVXSKESA-N 1 2 243.351 0.803 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000572897680 388385759 /nfs/dbraw/zinc/38/57/59/388385759.db2.gz RZMTVBPJNNMLIA-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCn2nncc2C1 ZINC000572897680 388385762 /nfs/dbraw/zinc/38/57/62/388385762.db2.gz RZMTVBPJNNMLIA-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cnn(C)c1)C(C)C ZINC000218059311 388386320 /nfs/dbraw/zinc/38/63/20/388386320.db2.gz FFLTULUIVDELIF-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000236936490 388386694 /nfs/dbraw/zinc/38/66/94/388386694.db2.gz BFOAILUQLQYSSR-MMWGEVLESA-N 1 2 238.331 0.798 20 0 BCADLO C[C@@H]1OCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000134267518 388397736 /nfs/dbraw/zinc/39/77/36/388397736.db2.gz AWEBJBSMVQIVFV-CBAPKCEASA-N 1 2 233.275 0.953 20 0 BCADLO COCCCNC(=O)C[N@H+](C)CC1(F)CC1 ZINC000525976922 388439811 /nfs/dbraw/zinc/43/98/11/388439811.db2.gz JBRGYUSTSOGWCK-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO COCCCNC(=O)C[N@@H+](C)CC1(F)CC1 ZINC000525976922 388439814 /nfs/dbraw/zinc/43/98/14/388439814.db2.gz JBRGYUSTSOGWCK-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO CC(C)(C(N)=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000525978146 388440828 /nfs/dbraw/zinc/44/08/28/388440828.db2.gz XGSFCHWRGPUGOS-UHFFFAOYSA-N 1 2 243.326 0.370 20 0 BCADLO CN(CC[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000573297535 388440970 /nfs/dbraw/zinc/44/09/70/388440970.db2.gz QKEORCZWBPLWDG-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000525978606 388442081 /nfs/dbraw/zinc/44/20/81/388442081.db2.gz GLJNAMIQGSHHOO-SECBINFHSA-N 1 2 212.268 0.795 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000525978606 388442083 /nfs/dbraw/zinc/44/20/83/388442083.db2.gz GLJNAMIQGSHHOO-SECBINFHSA-N 1 2 212.268 0.795 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncccn2)C1 ZINC000330560632 388443886 /nfs/dbraw/zinc/44/38/86/388443886.db2.gz YZMBSLWMILQWNT-UWVGGRQHSA-N 1 2 223.276 0.058 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ncccn2)C1 ZINC000330560632 388443888 /nfs/dbraw/zinc/44/38/88/388443888.db2.gz YZMBSLWMILQWNT-UWVGGRQHSA-N 1 2 223.276 0.058 20 0 BCADLO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccon1 ZINC000393973981 388448027 /nfs/dbraw/zinc/44/80/27/388448027.db2.gz UEZMRIVREVUACJ-HTQZYQBOSA-N 1 2 225.248 0.776 20 0 BCADLO O=c1n(CCn2cc[nH+]c2)nc2ccccn21 ZINC000026911043 388449459 /nfs/dbraw/zinc/44/94/59/388449459.db2.gz YRXQDJHWWSQRFO-UHFFFAOYSA-N 1 2 229.243 0.393 20 0 BCADLO Cc1cccc2[nH+]c(CCNC(=O)CO)cn21 ZINC000649206861 388458598 /nfs/dbraw/zinc/45/85/98/388458598.db2.gz IHQHSKGJXFLQBJ-UHFFFAOYSA-N 1 2 233.271 0.294 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(CF)CCC2)C1 ZINC000515848084 388467573 /nfs/dbraw/zinc/46/75/73/388467573.db2.gz BYBIQCGMXDXJIC-JTQLQIEISA-N 1 2 244.310 0.573 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C2(CF)CCC2)C1 ZINC000515848084 388467577 /nfs/dbraw/zinc/46/75/77/388467577.db2.gz BYBIQCGMXDXJIC-JTQLQIEISA-N 1 2 244.310 0.573 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000075701169 388470280 /nfs/dbraw/zinc/47/02/80/388470280.db2.gz XTWILEXHPYHQKO-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000075701169 388470284 /nfs/dbraw/zinc/47/02/84/388470284.db2.gz XTWILEXHPYHQKO-SECBINFHSA-N 1 2 226.320 0.764 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCN(C)C(=O)C1 ZINC000166011964 388414081 /nfs/dbraw/zinc/41/40/81/388414081.db2.gz RXNQDZYOBMYGQK-UHFFFAOYSA-N 1 2 237.303 0.608 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000166011964 388414083 /nfs/dbraw/zinc/41/40/83/388414083.db2.gz RXNQDZYOBMYGQK-UHFFFAOYSA-N 1 2 237.303 0.608 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cncc(O)c1 ZINC000166054052 388415582 /nfs/dbraw/zinc/41/55/82/388415582.db2.gz GKPWEFQSSBVFOL-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO COC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000573156443 388426784 /nfs/dbraw/zinc/42/67/84/388426784.db2.gz GGRGDKNEBAUTMU-UHFFFAOYSA-N 1 2 239.319 0.846 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000514899230 256724351 /nfs/dbraw/zinc/72/43/51/256724351.db2.gz OIOKLSYADCJAPF-PBKGFPTLSA-N 1 2 223.276 0.326 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H]2C[C@H]21 ZINC000646727375 388434591 /nfs/dbraw/zinc/43/45/91/388434591.db2.gz SJTIVVGBUNRMAG-MXWKQRLJSA-N 1 2 247.298 0.445 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCO[C@H]2C[C@H]21 ZINC000646725560 388434741 /nfs/dbraw/zinc/43/47/41/388434741.db2.gz SLXNLYLJFIKDCP-MNOVXSKESA-N 1 2 235.287 0.663 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C(C)C ZINC000167005001 388437017 /nfs/dbraw/zinc/43/70/17/388437017.db2.gz MGNPKWBKGSZLHE-BDAKNGLRSA-N 1 2 203.282 0.809 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246052970 388437472 /nfs/dbraw/zinc/43/74/72/388437472.db2.gz AZJXBGLGRACADS-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246052970 388437473 /nfs/dbraw/zinc/43/74/73/388437473.db2.gz AZJXBGLGRACADS-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1(C)COC1 ZINC000548460032 388540430 /nfs/dbraw/zinc/54/04/30/388540430.db2.gz SIYXJMJHADGOSB-UHFFFAOYSA-N 1 2 223.276 0.115 20 0 BCADLO C/C(Cl)=C/C[NH+]1CC(N2CCNC2=O)C1 ZINC000528520210 388541517 /nfs/dbraw/zinc/54/15/17/388541517.db2.gz NUTNPXWYAHMHNM-WAPJZHGLSA-N 1 2 229.711 0.838 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccncc1 ZINC000517269536 388545705 /nfs/dbraw/zinc/54/57/05/388545705.db2.gz IHLRUJVPIYKJKE-UHFFFAOYSA-N 1 2 230.271 0.637 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1cccc(O)c1 ZINC000548538649 388546535 /nfs/dbraw/zinc/54/65/35/388546535.db2.gz VZXCMVPIAZMWEF-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO COc1cc(CC(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000646809265 388547936 /nfs/dbraw/zinc/54/79/36/388547936.db2.gz BTHLVFGHRAGWER-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000547805222 388484466 /nfs/dbraw/zinc/48/44/66/388484466.db2.gz DRZMUFHSNKAGCU-MNOVXSKESA-N 1 2 237.303 0.504 20 0 BCADLO C[C@H](CO)[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340200586 388489058 /nfs/dbraw/zinc/48/90/58/388489058.db2.gz PZBBWQWVYKJLGY-APPZFPTMSA-N 1 2 238.316 0.926 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000340934586 388492969 /nfs/dbraw/zinc/49/29/69/388492969.db2.gz WDFQKUSGRJBVEW-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCC(F)(F)F ZINC000340934586 388492973 /nfs/dbraw/zinc/49/29/73/388492973.db2.gz WDFQKUSGRJBVEW-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO CC[C@H]1C[N@H+](Cc2noc(C)n2)C[C@@H]1O ZINC000341041163 388495225 /nfs/dbraw/zinc/49/52/25/388495225.db2.gz GCNKOMUKPOULQE-IUCAKERBSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2noc(C)n2)C[C@@H]1O ZINC000341041163 388495228 /nfs/dbraw/zinc/49/52/28/388495228.db2.gz GCNKOMUKPOULQE-IUCAKERBSA-N 1 2 211.265 0.581 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc2ncccn2n1 ZINC000646809430 388549164 /nfs/dbraw/zinc/54/91/64/388549164.db2.gz MCMCGCNOKRHJRW-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO CC[C@]1(C)C[N@H+](CC(=O)NC)CCO1 ZINC000135705657 388505948 /nfs/dbraw/zinc/50/59/48/388505948.db2.gz WXVKQPXKCBLPRE-SNVBAGLBSA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@]1(C)C[N@@H+](CC(=O)NC)CCO1 ZINC000135705657 388505950 /nfs/dbraw/zinc/50/59/50/388505950.db2.gz WXVKQPXKCBLPRE-SNVBAGLBSA-N 1 2 200.282 0.233 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2nncn2C)C1 ZINC000548097012 388511063 /nfs/dbraw/zinc/51/10/63/388511063.db2.gz NTCNBQWDVSXYSN-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2nncn2C)C1 ZINC000548097012 388511064 /nfs/dbraw/zinc/51/10/64/388511064.db2.gz NTCNBQWDVSXYSN-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)COCC1CC1 ZINC000548132111 388516119 /nfs/dbraw/zinc/51/61/19/388516119.db2.gz IIXRADOHVRAMHQ-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000528397265 388517924 /nfs/dbraw/zinc/51/79/24/388517924.db2.gz QLGIISYWUJCFJH-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000528397265 388517927 /nfs/dbraw/zinc/51/79/27/388517927.db2.gz QLGIISYWUJCFJH-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000564342121 388518185 /nfs/dbraw/zinc/51/81/85/388518185.db2.gz GKOTVILRZXVZIX-SCZZXKLOSA-N 1 2 243.307 0.768 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000564342121 388518189 /nfs/dbraw/zinc/51/81/89/388518189.db2.gz GKOTVILRZXVZIX-SCZZXKLOSA-N 1 2 243.307 0.768 20 0 BCADLO CCC[C@@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000378841585 388519853 /nfs/dbraw/zinc/51/98/53/388519853.db2.gz YGQALDXRUQNTAZ-QMMMGPOBSA-N 1 2 225.296 0.241 20 0 BCADLO CCC[C@@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000378841585 388519856 /nfs/dbraw/zinc/51/98/56/388519856.db2.gz YGQALDXRUQNTAZ-QMMMGPOBSA-N 1 2 225.296 0.241 20 0 BCADLO CN(CC(C)(C)O)C(=O)Cc1c[nH+]cn1C ZINC000548192365 388521387 /nfs/dbraw/zinc/52/13/87/388521387.db2.gz SJRRGQMENCJMGI-UHFFFAOYSA-N 1 2 225.292 0.192 20 0 BCADLO Cc1c[nH+]cn1CC(=O)Nc1n[nH]c(C)n1 ZINC000528416066 388521476 /nfs/dbraw/zinc/52/14/76/388521476.db2.gz WGSMFDBXPNBGLR-UHFFFAOYSA-N 1 2 220.236 0.257 20 0 BCADLO Cc1c[nH+]cn1CC(=O)Nc1nnc(C)[nH]1 ZINC000528416066 388521478 /nfs/dbraw/zinc/52/14/78/388521478.db2.gz WGSMFDBXPNBGLR-UHFFFAOYSA-N 1 2 220.236 0.257 20 0 BCADLO CC(C)(CCO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000516875781 388522475 /nfs/dbraw/zinc/52/24/75/388522475.db2.gz GOKOXFYUJSYJLV-UHFFFAOYSA-N 1 2 242.363 0.853 20 0 BCADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)CO)CC1 ZINC000528426458 388523527 /nfs/dbraw/zinc/52/35/27/388523527.db2.gz KPTJQXARGZRLCJ-MBXJOHMKSA-N 1 2 232.711 0.266 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2csc(C)n2)C1 ZINC000516938002 388525873 /nfs/dbraw/zinc/52/58/73/388525873.db2.gz RJIFGUSQFCCYIV-UHFFFAOYSA-N 1 2 225.317 0.772 20 0 BCADLO O=C(Cn1cccn1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548311148 388527812 /nfs/dbraw/zinc/52/78/12/388527812.db2.gz KMIBGXHITHSRQK-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1 ZINC000528497416 388535155 /nfs/dbraw/zinc/53/51/55/388535155.db2.gz LPFNASWCLRFGHG-YYNRCTNYSA-N 1 2 242.710 0.841 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1 ZINC000528497416 388535157 /nfs/dbraw/zinc/53/51/57/388535157.db2.gz LPFNASWCLRFGHG-YYNRCTNYSA-N 1 2 242.710 0.841 20 0 BCADLO CCc1coc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000550245519 388602286 /nfs/dbraw/zinc/60/22/86/388602286.db2.gz YJAYKNVNDYQYIG-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO CCc1coc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000550245519 388602287 /nfs/dbraw/zinc/60/22/87/388602287.db2.gz YJAYKNVNDYQYIG-SECBINFHSA-N 1 2 239.275 0.506 20 0 BCADLO C[C@H]1CCN(Cc2[nH+]ccn2C)[C@H](C(N)=O)C1 ZINC000187436646 388608801 /nfs/dbraw/zinc/60/88/01/388608801.db2.gz RRKPRFNDQXSOCD-UWVGGRQHSA-N 1 2 236.319 0.506 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cncnc1 ZINC000082267392 388611817 /nfs/dbraw/zinc/61/18/17/388611817.db2.gz HXNUJZIIEYYBPV-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@H](C)CO1 ZINC000548655203 388552021 /nfs/dbraw/zinc/55/20/21/388552021.db2.gz CSERZBSEIPSVCA-NXEZZACHSA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000548655206 388552229 /nfs/dbraw/zinc/55/22/29/388552229.db2.gz CSERZBSEIPSVCA-ZJUUUORDSA-N 1 2 237.303 0.598 20 0 BCADLO Cc1noc(C23CC(C2)C[N@@H+]3CCO)n1 ZINC000528631590 388553295 /nfs/dbraw/zinc/55/32/95/388553295.db2.gz QTUJJGQMSICCJW-UHFFFAOYSA-N 1 2 209.249 0.291 20 0 BCADLO Cc1noc(C23CC(C2)C[N@H+]3CCO)n1 ZINC000528631590 388553298 /nfs/dbraw/zinc/55/32/98/388553298.db2.gz QTUJJGQMSICCJW-UHFFFAOYSA-N 1 2 209.249 0.291 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H](O)C1 ZINC000548748290 388556475 /nfs/dbraw/zinc/55/64/75/388556475.db2.gz GKYBSAVHUDHFTL-RKDXNWHRSA-N 1 2 235.287 0.423 20 0 BCADLO CCOC[C@@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000528724486 388562342 /nfs/dbraw/zinc/56/23/42/388562342.db2.gz XLBRPUSBHKWMER-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000528724486 388562344 /nfs/dbraw/zinc/56/23/44/388562344.db2.gz XLBRPUSBHKWMER-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO Cc1cc(NC(=O)N(C)[C@@H](C)CO)c(C)c[nH+]1 ZINC000548956953 388569090 /nfs/dbraw/zinc/56/90/90/388569090.db2.gz HXKZBTCOWNHADN-JTQLQIEISA-N 1 2 237.303 0.965 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)OCC1CC1 ZINC000184385410 388577254 /nfs/dbraw/zinc/57/72/54/388577254.db2.gz AIKDKWXHMAJJCH-SNVBAGLBSA-N 1 2 242.319 0.843 20 0 BCADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(N)=O ZINC000125420929 388672315 /nfs/dbraw/zinc/67/23/15/388672315.db2.gz AMCYMJAOKPSKEJ-SSDOTTSWSA-N 1 2 226.251 0.970 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1Cc1n[nH]c(C)n1 ZINC000521994625 388672838 /nfs/dbraw/zinc/67/28/38/388672838.db2.gz GTXGENPKYSRHAZ-JTQLQIEISA-N 1 2 223.324 0.639 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1Cc1n[nH]c(C)n1 ZINC000521994625 388672842 /nfs/dbraw/zinc/67/28/42/388672842.db2.gz GTXGENPKYSRHAZ-JTQLQIEISA-N 1 2 223.324 0.639 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248618909 388686468 /nfs/dbraw/zinc/68/64/68/388686468.db2.gz LOSBPQJGUOOCEO-IEVXNVSRSA-N 1 2 248.392 0.600 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248618909 388686471 /nfs/dbraw/zinc/68/64/71/388686471.db2.gz LOSBPQJGUOOCEO-IEVXNVSRSA-N 1 2 248.392 0.600 20 0 BCADLO CSCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192533655 388679458 /nfs/dbraw/zinc/67/94/58/388679458.db2.gz ZYSFLUKGUPPKQH-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@H]1COCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000192741645 388683828 /nfs/dbraw/zinc/68/38/28/388683828.db2.gz WDXQRUDXBIRBHZ-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1COCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000192741645 388683829 /nfs/dbraw/zinc/68/38/29/388683829.db2.gz WDXQRUDXBIRBHZ-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1nncs1 ZINC000530186545 388624493 /nfs/dbraw/zinc/62/44/93/388624493.db2.gz KHKOKXQVCVMXIC-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1nncs1 ZINC000530186545 388624494 /nfs/dbraw/zinc/62/44/94/388624494.db2.gz KHKOKXQVCVMXIC-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCO[C@H]1C1CC1 ZINC000551465277 388631104 /nfs/dbraw/zinc/63/11/04/388631104.db2.gz YJQLLVKHXSMJKC-JQWIXIFHSA-N 1 2 235.287 0.567 20 0 BCADLO CS(=O)(=O)CCNc1cccc[nH+]1 ZINC000037750834 388631527 /nfs/dbraw/zinc/63/15/27/388631527.db2.gz WEYHSURMMXNTCI-UHFFFAOYSA-N 1 2 200.263 0.538 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000551465279 388631548 /nfs/dbraw/zinc/63/15/48/388631548.db2.gz YJQLLVKHXSMJKC-ZYHUDNBSSA-N 1 2 235.287 0.567 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCO[C@H](C)[C@@H]2C)CCO1 ZINC000192759948 388684809 /nfs/dbraw/zinc/68/48/09/388684809.db2.gz ZKQJODQWOOHZRU-FRRDWIJNSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCO[C@H](C)[C@@H]2C)CCO1 ZINC000192759948 388684810 /nfs/dbraw/zinc/68/48/10/388684810.db2.gz ZKQJODQWOOHZRU-FRRDWIJNSA-N 1 2 242.363 0.816 20 0 BCADLO CN(C)[C@H](C(=O)NCCCF)c1c[nH+]cn1C ZINC000538367295 388684873 /nfs/dbraw/zinc/68/48/73/388684873.db2.gz FOVUYEQGEZUDAB-JTQLQIEISA-N 1 2 242.298 0.499 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CCC2)C1 ZINC000125992614 388684890 /nfs/dbraw/zinc/68/48/90/388684890.db2.gz ZYBKPBDPWSTRHB-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CCC2)C1 ZINC000125992614 388684892 /nfs/dbraw/zinc/68/48/92/388684892.db2.gz ZYBKPBDPWSTRHB-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CN(C[C@@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC000564385596 388654538 /nfs/dbraw/zinc/65/45/38/388654538.db2.gz SMPFLSXTWQJTPI-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191528469 388664895 /nfs/dbraw/zinc/66/48/95/388664895.db2.gz CWDJVDXWHVLPGY-KWQFWETISA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191528469 388664896 /nfs/dbraw/zinc/66/48/96/388664896.db2.gz CWDJVDXWHVLPGY-KWQFWETISA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000194669588 388738987 /nfs/dbraw/zinc/73/89/87/388738987.db2.gz ISWQOHKAILYMOO-JTQLQIEISA-N 1 2 240.307 0.465 20 0 BCADLO CC(C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267093 388741707 /nfs/dbraw/zinc/74/17/07/388741707.db2.gz JWMPYPWELFAUSU-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267093 388741708 /nfs/dbraw/zinc/74/17/08/388741708.db2.gz JWMPYPWELFAUSU-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553006507 388745037 /nfs/dbraw/zinc/74/50/37/388745037.db2.gz CGKBSAAPIYWZQI-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1C ZINC000251505737 388748504 /nfs/dbraw/zinc/74/85/04/388748504.db2.gz BWRMYWPWDZGEEX-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1C ZINC000251505737 388748505 /nfs/dbraw/zinc/74/85/05/388748505.db2.gz BWRMYWPWDZGEEX-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000251588891 388749755 /nfs/dbraw/zinc/74/97/55/388749755.db2.gz FKQNCSHDKQDWEO-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000251588891 388749756 /nfs/dbraw/zinc/74/97/56/388749756.db2.gz FKQNCSHDKQDWEO-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO COC1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000648730475 388752102 /nfs/dbraw/zinc/75/21/02/388752102.db2.gz CPLGHWDKGILTBO-UHFFFAOYSA-N 1 2 249.314 0.943 20 0 BCADLO CC(C)(C(=O)N1CC(F)C1)c1c[nH+]c[nH]1 ZINC000621950743 388687023 /nfs/dbraw/zinc/68/70/23/388687023.db2.gz BYSQVIZLTDQSIY-UHFFFAOYSA-N 1 2 211.240 0.868 20 0 BCADLO CCOC(=O)C[N@@H+](CC(=O)NC)CC(C)C ZINC000065223961 388688869 /nfs/dbraw/zinc/68/88/69/388688869.db2.gz QRRNUKVLWVTBGT-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CCOC(=O)C[N@H+](CC(=O)NC)CC(C)C ZINC000065223961 388688871 /nfs/dbraw/zinc/68/88/71/388688871.db2.gz QRRNUKVLWVTBGT-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)CC(C)(C)O1 ZINC000065428038 388692265 /nfs/dbraw/zinc/69/22/65/388692265.db2.gz MGYJNUJGYHCOST-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC(C)(C)O1 ZINC000065428038 388692269 /nfs/dbraw/zinc/69/22/69/388692269.db2.gz MGYJNUJGYHCOST-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO Cc1cc(NC(=O)C(=O)c2cnn(C)c2)cc[nH+]1 ZINC000195158539 388698266 /nfs/dbraw/zinc/69/82/66/388698266.db2.gz FYGUNXBYOOLHFP-UHFFFAOYSA-N 1 2 244.254 0.945 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCN1CCCC1=O ZINC000195203398 388700344 /nfs/dbraw/zinc/70/03/44/388700344.db2.gz DXKHNXRUZZNKAB-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCN1CCCC1=O ZINC000195203398 388700345 /nfs/dbraw/zinc/70/03/45/388700345.db2.gz DXKHNXRUZZNKAB-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CC[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249003149 388703955 /nfs/dbraw/zinc/70/39/55/388703955.db2.gz HORYHRKWJCJQTN-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249003149 388703957 /nfs/dbraw/zinc/70/39/57/388703957.db2.gz HORYHRKWJCJQTN-QWHCGFSZSA-N 1 2 242.363 0.818 20 0 BCADLO COC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000648735272 388756132 /nfs/dbraw/zinc/75/61/32/388756132.db2.gz IIKCUKZMNALWBE-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H]1CCCN(C)C1=O ZINC000538703451 388706676 /nfs/dbraw/zinc/70/66/76/388706676.db2.gz XCFDRMGXCBXVDZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCCN(C)C1=O ZINC000538703451 388706680 /nfs/dbraw/zinc/70/66/80/388706680.db2.gz XCFDRMGXCBXVDZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCCN(C)C1=O ZINC000538703455 388707423 /nfs/dbraw/zinc/70/74/23/388707423.db2.gz XCFDRMGXCBXVDZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCCN(C)C1=O ZINC000538703455 388707425 /nfs/dbraw/zinc/70/74/25/388707425.db2.gz XCFDRMGXCBXVDZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)C2)ccc1C ZINC000193609362 388710130 /nfs/dbraw/zinc/71/01/30/388710130.db2.gz OAVHCUVRCTWWRW-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)C2)ccc1C ZINC000193609362 388710133 /nfs/dbraw/zinc/71/01/33/388710133.db2.gz OAVHCUVRCTWWRW-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249375996 388717858 /nfs/dbraw/zinc/71/78/58/388717858.db2.gz PSSQAMIJUSYYJV-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249375996 388717861 /nfs/dbraw/zinc/71/78/61/388717861.db2.gz PSSQAMIJUSYYJV-JOYOIKCWSA-N 1 2 239.319 0.310 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000249339895 388718198 /nfs/dbraw/zinc/71/81/98/388718198.db2.gz ISNPPXHSWPUQKZ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCCOC)C1 ZINC000249339895 388718200 /nfs/dbraw/zinc/71/82/00/388718200.db2.gz ISNPPXHSWPUQKZ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCS[C@H](C)C1 ZINC000249386568 388719094 /nfs/dbraw/zinc/71/90/94/388719094.db2.gz REOIVAGMXDVQMJ-HTQZYQBOSA-N 1 2 227.337 0.708 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCS[C@H](C)C1 ZINC000249386568 388719097 /nfs/dbraw/zinc/71/90/97/388719097.db2.gz REOIVAGMXDVQMJ-HTQZYQBOSA-N 1 2 227.337 0.708 20 0 BCADLO Cc1oncc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000249403115 388721060 /nfs/dbraw/zinc/72/10/60/388721060.db2.gz VUMCYPHUDFFLNH-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000249403115 388721062 /nfs/dbraw/zinc/72/10/62/388721062.db2.gz VUMCYPHUDFFLNH-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO CN1CC[N@H+](Cc2ccc3c[nH]nc3c2)CC1=O ZINC000127327852 388721215 /nfs/dbraw/zinc/72/12/15/388721215.db2.gz MGEWMLCUOXCYEG-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO CN1CC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1=O ZINC000127327852 388721216 /nfs/dbraw/zinc/72/12/16/388721216.db2.gz MGEWMLCUOXCYEG-UHFFFAOYSA-N 1 2 244.298 0.837 20 0 BCADLO Cn1ccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000127345424 388721722 /nfs/dbraw/zinc/72/17/22/388721722.db2.gz IMDQJNWIVXBHDC-UHFFFAOYSA-N 1 2 207.277 0.299 20 0 BCADLO Cn1ccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000127345424 388721726 /nfs/dbraw/zinc/72/17/26/388721726.db2.gz IMDQJNWIVXBHDC-UHFFFAOYSA-N 1 2 207.277 0.299 20 0 BCADLO COC(=O)CCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552558679 388726266 /nfs/dbraw/zinc/72/62/66/388726266.db2.gz IXLDBDUSETWRLO-MRVPVSSYSA-N 1 2 239.275 0.930 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000251891447 388756948 /nfs/dbraw/zinc/75/69/48/388756948.db2.gz QIFBESDHADSITA-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000251891447 388756951 /nfs/dbraw/zinc/75/69/51/388756951.db2.gz QIFBESDHADSITA-PWSUYJOCSA-N 1 2 239.319 0.656 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCCF)CCO1 ZINC000127651452 388728304 /nfs/dbraw/zinc/72/83/04/388728304.db2.gz WEKFQCVHDIQCJZ-QMMMGPOBSA-N 1 2 205.229 0.220 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000127651452 388728307 /nfs/dbraw/zinc/72/83/07/388728307.db2.gz WEKFQCVHDIQCJZ-QMMMGPOBSA-N 1 2 205.229 0.220 20 0 BCADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C(N)=O)C1 ZINC000249582489 388728559 /nfs/dbraw/zinc/72/85/59/388728559.db2.gz RRKPRFNDQXSOCD-NXEZZACHSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ccnn2C)[C@@H](C(N)=O)C1 ZINC000249599578 388729500 /nfs/dbraw/zinc/72/95/00/388729500.db2.gz XUZVUOHPPQKTBH-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ccnn2C)[C@@H](C(N)=O)C1 ZINC000249599578 388729503 /nfs/dbraw/zinc/72/95/03/388729503.db2.gz XUZVUOHPPQKTBH-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO COC(=O)CCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000229510657 388791831 /nfs/dbraw/zinc/79/18/31/388791831.db2.gz BPOSDPLYBOUOFQ-SECBINFHSA-N 1 2 213.277 0.851 20 0 BCADLO COC(=O)CCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000229510657 388791832 /nfs/dbraw/zinc/79/18/32/388791832.db2.gz BPOSDPLYBOUOFQ-SECBINFHSA-N 1 2 213.277 0.851 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1csnn1 ZINC000229606725 388796154 /nfs/dbraw/zinc/79/61/54/388796154.db2.gz ZXWDHPAUTSZPLC-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523093791 388797615 /nfs/dbraw/zinc/79/76/15/388797615.db2.gz UNIVCVPFHBAXJQ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523093791 388797617 /nfs/dbraw/zinc/79/76/17/388797617.db2.gz UNIVCVPFHBAXJQ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cccn2cc(CCNC(=O)[C@H](C)O)[nH+]c12 ZINC000649095677 388799142 /nfs/dbraw/zinc/79/91/42/388799142.db2.gz LFNUYIKNAFFMIB-JTQLQIEISA-N 1 2 247.298 0.682 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H](CO)O1 ZINC000230004936 388810056 /nfs/dbraw/zinc/81/00/56/388810056.db2.gz OPHRBGKPGHVXHO-ZJUUUORDSA-N 1 2 208.261 0.668 20 0 BCADLO Nc1[nH+]cnc(NC[C@@H](O)C2CC2)c1Cl ZINC000227849164 388760064 /nfs/dbraw/zinc/76/00/64/388760064.db2.gz FQLFMWRCVIULHE-ZCFIWIBFSA-N 1 2 228.683 0.895 20 0 BCADLO Nc1nc[nH+]c(NC[C@@H](O)C2CC2)c1Cl ZINC000227849164 388760067 /nfs/dbraw/zinc/76/00/67/388760067.db2.gz FQLFMWRCVIULHE-ZCFIWIBFSA-N 1 2 228.683 0.895 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](O)CC1 ZINC000252706243 388771110 /nfs/dbraw/zinc/77/11/10/388771110.db2.gz SRSZWTCKJPZMHH-XYPYZODXSA-N 1 2 237.303 0.693 20 0 BCADLO COCC[N@H+](Cc1cnoc1C)[C@@H](C)C(N)=O ZINC000128566223 388771125 /nfs/dbraw/zinc/77/11/25/388771125.db2.gz NGIUAHBRYDQSMI-QMMMGPOBSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cnoc1C)[C@@H](C)C(N)=O ZINC000128566223 388771128 /nfs/dbraw/zinc/77/11/28/388771128.db2.gz NGIUAHBRYDQSMI-QMMMGPOBSA-N 1 2 241.291 0.305 20 0 BCADLO CN1CCC[C@H]([N@H+](C)Cc2cc[nH]n2)C1=O ZINC000539811878 388779925 /nfs/dbraw/zinc/77/99/25/388779925.db2.gz QLZGZSMBODEEDX-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO CN1CCC[C@H]([N@@H+](C)Cc2cc[nH]n2)C1=O ZINC000539811878 388779927 /nfs/dbraw/zinc/77/99/27/388779927.db2.gz QLZGZSMBODEEDX-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1nc[nH]n1 ZINC000553544631 388782246 /nfs/dbraw/zinc/78/22/46/388782246.db2.gz NANCPEUEGLKBJV-MRVPVSSYSA-N 1 2 237.307 0.324 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1nnc[nH]1 ZINC000553544631 388782251 /nfs/dbraw/zinc/78/22/51/388782251.db2.gz NANCPEUEGLKBJV-MRVPVSSYSA-N 1 2 237.307 0.324 20 0 BCADLO Cn1cnnc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553558562 388782884 /nfs/dbraw/zinc/78/28/84/388782884.db2.gz JSFIQEOCJVJUNF-UHFFFAOYSA-N 1 2 223.280 0.095 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCCCO ZINC000229266698 388784175 /nfs/dbraw/zinc/78/41/75/388784175.db2.gz CMPANVKDSINLNT-UHFFFAOYSA-N 1 2 226.280 0.642 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCCCO ZINC000229266698 388784180 /nfs/dbraw/zinc/78/41/80/388784180.db2.gz CMPANVKDSINLNT-UHFFFAOYSA-N 1 2 226.280 0.642 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000229379463 388787548 /nfs/dbraw/zinc/78/75/48/388787548.db2.gz DTPGWDMIWYVNFE-HRDYMLBCSA-N 1 2 203.282 0.951 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000229379452 388787662 /nfs/dbraw/zinc/78/76/62/388787662.db2.gz DTPGWDMIWYVNFE-IWSPIJDZSA-N 1 2 203.282 0.951 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481273 388789486 /nfs/dbraw/zinc/78/94/86/388789486.db2.gz DHDTYLTZMOTEBA-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481273 388789491 /nfs/dbraw/zinc/78/94/91/388789491.db2.gz DHDTYLTZMOTEBA-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000554485427 388816922 /nfs/dbraw/zinc/81/69/22/388816922.db2.gz BKMZBVMHBJRBMV-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO COCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000554544188 388820788 /nfs/dbraw/zinc/82/07/88/388820788.db2.gz RWRYVQMMDUGWSR-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO Cc1noc(C[NH+]2CCC([C@@H](C)O)CC2)n1 ZINC000225778783 388844303 /nfs/dbraw/zinc/84/43/03/388844303.db2.gz MCDKCHGFIOMFGH-MRVPVSSYSA-N 1 2 225.292 0.971 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)CC(=O)N1C ZINC000554574488 388822969 /nfs/dbraw/zinc/82/29/69/388822969.db2.gz TYFHZPZKRPFAFF-MRVPVSSYSA-N 1 2 200.257 0.651 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)CC(=O)N1C ZINC000554574488 388822971 /nfs/dbraw/zinc/82/29/71/388822971.db2.gz TYFHZPZKRPFAFF-MRVPVSSYSA-N 1 2 200.257 0.651 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523440895 388839549 /nfs/dbraw/zinc/83/95/49/388839549.db2.gz AUPYDQBKBVRNBS-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523440895 388839552 /nfs/dbraw/zinc/83/95/52/388839552.db2.gz AUPYDQBKBVRNBS-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO COc1ccc[nH+]c1NCC[S@](C)=O ZINC000229239381 388840066 /nfs/dbraw/zinc/84/00/66/388840066.db2.gz VMWCEEXPINFRPH-AWEZNQCLSA-N 1 2 214.290 0.881 20 0 BCADLO O=C(Cc1cccnc1)N1CCn2c[nH+]cc2C1 ZINC000555166331 388842786 /nfs/dbraw/zinc/84/27/86/388842786.db2.gz JBBOCACXODFTBD-UHFFFAOYSA-N 1 2 242.282 0.863 20 0 BCADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)n1cccn1 ZINC000523689945 388852931 /nfs/dbraw/zinc/85/29/31/388852931.db2.gz FFHYSGUSBRYZAF-JTQLQIEISA-N 1 2 245.286 0.724 20 0 BCADLO O=C([C@@H]1CCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000523699963 388854077 /nfs/dbraw/zinc/85/40/77/388854077.db2.gz FASFIYKZZIZRFL-SECBINFHSA-N 1 2 221.260 0.303 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000093642793 388846797 /nfs/dbraw/zinc/84/67/97/388846797.db2.gz ASBPRPNKXCTWTN-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000093642793 388846800 /nfs/dbraw/zinc/84/68/00/388846800.db2.gz ASBPRPNKXCTWTN-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CNC(=O)C1CC1 ZINC000523655435 388848410 /nfs/dbraw/zinc/84/84/10/388848410.db2.gz IXXBPGAYUDKVQG-UHFFFAOYSA-N 1 2 249.270 0.555 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)C2)C[C@H](C)[N@H+]1C ZINC000564800823 388890059 /nfs/dbraw/zinc/89/00/59/388890059.db2.gz AVBXTQCHOABWSE-AXFHLTTASA-N 1 2 238.331 0.907 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)C2)C[C@H](C)[N@@H+]1C ZINC000564800823 388890064 /nfs/dbraw/zinc/89/00/64/388890064.db2.gz AVBXTQCHOABWSE-AXFHLTTASA-N 1 2 238.331 0.907 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H](O)COC(C)C ZINC000070197549 388877373 /nfs/dbraw/zinc/87/73/73/388877373.db2.gz KYKRWEGYNSYXLF-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)COC(C)C ZINC000070197549 388877375 /nfs/dbraw/zinc/87/73/75/388877375.db2.gz KYKRWEGYNSYXLF-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CO1 ZINC000565030053 388909360 /nfs/dbraw/zinc/90/93/60/388909360.db2.gz RPUCLCVOVQEHJR-VHSXEESVSA-N 1 2 237.303 0.646 20 0 BCADLO Cc1nnsc1C[N@H+]1CCSC[C@@H]1CO ZINC000565042709 388910047 /nfs/dbraw/zinc/91/00/47/388910047.db2.gz ZDEGKPUOYVJOCR-QMMMGPOBSA-N 1 2 245.373 0.756 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCSC[C@@H]1CO ZINC000565042709 388910045 /nfs/dbraw/zinc/91/00/45/388910045.db2.gz ZDEGKPUOYVJOCR-QMMMGPOBSA-N 1 2 245.373 0.756 20 0 BCADLO CO[C@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000565227301 388930097 /nfs/dbraw/zinc/93/00/97/388930097.db2.gz XHPVZLMQXNQOFW-SNVBAGLBSA-N 1 2 223.276 0.903 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1cnns1 ZINC000290188124 388934818 /nfs/dbraw/zinc/93/48/18/388934818.db2.gz ZUBIUVOTSYUIEZ-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1cnns1 ZINC000290188124 388934821 /nfs/dbraw/zinc/93/48/21/388934821.db2.gz ZUBIUVOTSYUIEZ-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1cnns1 ZINC000290188126 388935046 /nfs/dbraw/zinc/93/50/46/388935046.db2.gz ZUBIUVOTSYUIEZ-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1cnns1 ZINC000290188126 388935043 /nfs/dbraw/zinc/93/50/43/388935043.db2.gz ZUBIUVOTSYUIEZ-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CO)[C@@H](O)C1 ZINC000565609698 388958510 /nfs/dbraw/zinc/95/85/10/388958510.db2.gz QUTXLMRZOWEXRV-MNOVXSKESA-N 1 2 237.303 0.273 20 0 BCADLO C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1[nH]cc[nH+]1 ZINC000565607726 388958910 /nfs/dbraw/zinc/95/89/10/388958910.db2.gz LZBORVYYIOGFSF-MRVPVSSYSA-N 1 2 246.270 0.599 20 0 BCADLO Cc1nnc(NC(=O)C[C@H](C)n2cc[nH+]c2)n1C ZINC000565720408 388965912 /nfs/dbraw/zinc/96/59/12/388965912.db2.gz QPFWWCXEJGYHDE-QMMMGPOBSA-N 1 2 248.290 0.910 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@]2(C)CCOC2)C1 ZINC000565372635 388941025 /nfs/dbraw/zinc/94/10/25/388941025.db2.gz MDZORLCBTVHGMH-ZDUSSCGKSA-N 1 2 240.347 0.871 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CO)ccn12 ZINC000565434529 388944035 /nfs/dbraw/zinc/94/40/35/388944035.db2.gz VLXJJHROPGTUCN-QMMMGPOBSA-N 1 2 233.271 0.753 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000565575508 388955235 /nfs/dbraw/zinc/95/52/35/388955235.db2.gz YTLSJTMPEKWQPZ-VHSXEESVSA-N 1 2 238.291 0.360 20 0 BCADLO COC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000566043131 388984085 /nfs/dbraw/zinc/98/40/85/388984085.db2.gz SYTMJZFCAHHQLY-JTQLQIEISA-N 1 2 249.270 0.980 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCCO1 ZINC000267253821 388999778 /nfs/dbraw/zinc/99/97/78/388999778.db2.gz SDAIDPMGNKKWTN-VIFPVBQESA-N 1 2 223.276 0.903 20 0 BCADLO CC[N@H+](CCOC)Cc1nccc(N)n1 ZINC000269690043 389010045 /nfs/dbraw/zinc/01/00/45/389010045.db2.gz VZONSLKJTFTJGX-UHFFFAOYSA-N 1 2 210.281 0.527 20 0 BCADLO CC[N@@H+](CCOC)Cc1nccc(N)n1 ZINC000269690043 389010049 /nfs/dbraw/zinc/01/00/49/389010049.db2.gz VZONSLKJTFTJGX-UHFFFAOYSA-N 1 2 210.281 0.527 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000270427120 389011346 /nfs/dbraw/zinc/01/13/46/389011346.db2.gz ALCLYLOJPRBJRZ-WPRPVWTQSA-N 1 2 247.302 0.570 20 0 BCADLO OCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000259084306 132177662 /nfs/dbraw/zinc/17/76/62/132177662.db2.gz YJYHTBYATGMLNP-UHFFFAOYSA-N 1 2 238.291 0.108 20 0 BCADLO OCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000259084306 132177663 /nfs/dbraw/zinc/17/76/63/132177663.db2.gz YJYHTBYATGMLNP-UHFFFAOYSA-N 1 2 238.291 0.108 20 0 BCADLO O=C1CN(c2cc(N3CCCC3)[nH+]cn2)CCN1 ZINC000264306090 132179114 /nfs/dbraw/zinc/17/91/14/132179114.db2.gz BAKNHCVZDOGVNI-UHFFFAOYSA-N 1 2 247.302 0.013 20 0 BCADLO O=C1CN(c2cc(N3CCCC3)nc[nH+]2)CCN1 ZINC000264306090 132179117 /nfs/dbraw/zinc/17/91/17/132179117.db2.gz BAKNHCVZDOGVNI-UHFFFAOYSA-N 1 2 247.302 0.013 20 0 BCADLO Cc1cc(N2CCNC(=O)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000267228862 132189042 /nfs/dbraw/zinc/18/90/42/132189042.db2.gz FHRUDDLWUWWRSH-SECBINFHSA-N 1 2 246.314 0.987 20 0 BCADLO O=C1NC[C@H]2CN(c3cccc[nH+]3)CCN12 ZINC000267644421 132190487 /nfs/dbraw/zinc/19/04/87/132190487.db2.gz LIEKQZNIMUOYLP-VIFPVBQESA-N 1 2 218.260 0.295 20 0 BCADLO c1[nH+]cn2c1CN(c1cnccn1)CC2 ZINC000290591633 132217043 /nfs/dbraw/zinc/21/70/43/132217043.db2.gz DBTATWXKCVJLPF-UHFFFAOYSA-N 1 2 201.233 0.693 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1cccc[nH+]1 ZINC000290493342 132217149 /nfs/dbraw/zinc/21/71/49/132217149.db2.gz ACQRZQKFHZWWND-VIFPVBQESA-N 1 2 205.261 0.796 20 0 BCADLO O=C(CO)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330471425 132228465 /nfs/dbraw/zinc/22/84/65/132228465.db2.gz CKFIAJXKMNNNOX-UHFFFAOYSA-N 1 2 235.287 0.159 20 0 BCADLO Cc1cc(N2CCOC[C@@H]2C[C@@H](C)O)nc[nH+]1 ZINC000130026904 132234094 /nfs/dbraw/zinc/23/40/94/132234094.db2.gz SNZVPJNGGHDXHJ-MNOVXSKESA-N 1 2 237.303 0.761 20 0 BCADLO Nc1nc(N2CCNC(=O)C2)[nH+]c2ccccc12 ZINC000301756478 132257134 /nfs/dbraw/zinc/25/71/34/132257134.db2.gz DRFLYUOQHHYTBJ-UHFFFAOYSA-N 1 2 243.270 0.148 20 0 BCADLO Cc1nc(N2CCn3cnnc3[C@H]2C)cc[nH+]1 ZINC000357741663 132274922 /nfs/dbraw/zinc/27/49/22/132274922.db2.gz DCOMQFINLWGQNO-MRVPVSSYSA-N 1 2 230.275 0.958 20 0 BCADLO CCOc1cc(N2CCCCN2)[nH+]cn1 ZINC000295742360 132308105 /nfs/dbraw/zinc/30/81/05/132308105.db2.gz YKMPBJLLZAUKFI-UHFFFAOYSA-N 1 2 208.265 0.980 20 0 BCADLO O=c1c(N2CCCC[NH2+]2)nccn1C1CC1 ZINC000346125335 132311483 /nfs/dbraw/zinc/31/14/83/132311483.db2.gz YVXQHRPJNAPIJE-UHFFFAOYSA-N 1 2 220.276 0.683 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000014302107 132322733 /nfs/dbraw/zinc/32/27/33/132322733.db2.gz UXUCDJZWINLUTG-MRVPVSSYSA-N 1 2 233.275 0.588 20 0 BCADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000235390538 132395268 /nfs/dbraw/zinc/39/52/68/132395268.db2.gz NGPFRERNQGLJMT-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000235390538 132395269 /nfs/dbraw/zinc/39/52/69/132395269.db2.gz NGPFRERNQGLJMT-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@](C)(O)C1 ZINC000161632231 132444400 /nfs/dbraw/zinc/44/44/00/132444400.db2.gz MNHZGJSJPMFLCN-GFCCVEGCSA-N 1 2 247.302 0.715 20 0 BCADLO CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000334261199 133606411 /nfs/dbraw/zinc/60/64/11/133606411.db2.gz XRLWXMQQCJJYNG-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO Cc1ccn2c(CN3CC(=O)N(C)C3)c[nH+]c2c1 ZINC000334745873 133730042 /nfs/dbraw/zinc/73/00/42/133730042.db2.gz UDJMBOQHFYVCTI-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345686721 133784842 /nfs/dbraw/zinc/78/48/42/133784842.db2.gz GGSAUDJLAUSSAC-HTQZYQBOSA-N 1 2 236.262 0.213 20 0 BCADLO O=C(CC1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000347274747 133817763 /nfs/dbraw/zinc/81/77/63/133817763.db2.gz IFTCOLHPLKOOIP-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO CCC(=O)N1CCN(Cc2c[nH+]cn2C)C1 ZINC000335483475 133881458 /nfs/dbraw/zinc/88/14/58/133881458.db2.gz GZFVBTZAVWPBOI-UHFFFAOYSA-N 1 2 222.292 0.432 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)NCCn1cc[nH+]c1 ZINC000335871058 133945792 /nfs/dbraw/zinc/94/57/92/133945792.db2.gz MESSAENIGIPCOQ-NXEZZACHSA-N 1 2 238.291 0.048 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(C)no1 ZINC000351583673 133975309 /nfs/dbraw/zinc/97/53/09/133975309.db2.gz VCOUWDFMAMXWFP-VHSXEESVSA-N 1 2 241.291 0.662 20 0 BCADLO COCC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000351866422 133987813 /nfs/dbraw/zinc/98/78/13/133987813.db2.gz UBIIFLZVTTUJCO-UHFFFAOYSA-N 1 2 237.303 0.805 20 0 BCADLO CC(C)NC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351924070 134006694 /nfs/dbraw/zinc/00/66/94/134006694.db2.gz CIHGRINEKBNANY-HWPZZCPQSA-N 1 2 246.376 0.354 20 0 BCADLO CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335922941 134008022 /nfs/dbraw/zinc/00/80/22/134008022.db2.gz HNJXAEIHOUUTTI-MRVPVSSYSA-N 1 2 208.265 0.517 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccnn2C)CC[S@]1=O ZINC000335925559 134008822 /nfs/dbraw/zinc/00/88/22/134008822.db2.gz DHPHMOYIODXQEO-MGPLVRAMSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccnn2C)CC[S@]1=O ZINC000335925559 134008823 /nfs/dbraw/zinc/00/88/23/134008823.db2.gz DHPHMOYIODXQEO-MGPLVRAMSA-N 1 2 241.360 0.415 20 0 BCADLO CC(C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335934522 134012340 /nfs/dbraw/zinc/01/23/40/134012340.db2.gz UQXOPTZKGGWMAP-QWRGUYRKSA-N 1 2 241.335 0.509 20 0 BCADLO CC(C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335934522 134012341 /nfs/dbraw/zinc/01/23/41/134012341.db2.gz UQXOPTZKGGWMAP-QWRGUYRKSA-N 1 2 241.335 0.509 20 0 BCADLO CCn1cc[nH+]c1CN1CC[S@@](=O)[C@@H](C)C1 ZINC000335944794 134019396 /nfs/dbraw/zinc/01/93/96/134019396.db2.gz LFPMAEFHTRRMBV-MGPLVRAMSA-N 1 2 241.360 0.856 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CNC(=O)C1 ZINC000335962998 134027252 /nfs/dbraw/zinc/02/72/52/134027252.db2.gz IXAKYQXPJOYTID-SECBINFHSA-N 1 2 248.286 0.708 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000335966091 134028280 /nfs/dbraw/zinc/02/82/80/134028280.db2.gz MQXLYIFTCNOHET-QWRGUYRKSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C)C1 ZINC000335970472 134029807 /nfs/dbraw/zinc/02/98/07/134029807.db2.gz MVSINSFGULILJE-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C)C1 ZINC000335970472 134029808 /nfs/dbraw/zinc/02/98/08/134029808.db2.gz MVSINSFGULILJE-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1cc(NC(=O)Cn2cccnc2=O)cc[nH+]1 ZINC000352014342 134035980 /nfs/dbraw/zinc/03/59/80/134035980.db2.gz PJAIPSMZUFZQLB-UHFFFAOYSA-N 1 2 244.254 0.007 20 0 BCADLO CCN1CCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000336009150 134050218 /nfs/dbraw/zinc/05/02/18/134050218.db2.gz HPLVCUWHXXGEHQ-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CCN1CCN(Cc2c[nH]c[nH+]2)CC1=O ZINC000336009150 134050219 /nfs/dbraw/zinc/05/02/19/134050219.db2.gz HPLVCUWHXXGEHQ-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO C[C@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)C1(F)F ZINC000336019369 134054257 /nfs/dbraw/zinc/05/42/57/134054257.db2.gz PHRWAJLALQRBTQ-DTWKUNHWSA-N 1 2 248.273 0.024 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCC3(CC3)C2)nc1=O ZINC000336065245 134069979 /nfs/dbraw/zinc/06/99/79/134069979.db2.gz NOTDJRVUUDTDBQ-UHFFFAOYSA-N 1 2 222.292 0.484 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(O)CCC2)C1 ZINC000336069579 134071587 /nfs/dbraw/zinc/07/15/87/134071587.db2.gz MRCBTFXBBPRRRG-JTQLQIEISA-N 1 2 249.314 0.651 20 0 BCADLO CCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336099496 134081322 /nfs/dbraw/zinc/08/13/22/134081322.db2.gz ZYWNSQILMVSYNL-VIFPVBQESA-N 1 2 243.332 0.527 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1ccsc1 ZINC000352171261 134090931 /nfs/dbraw/zinc/09/09/31/134090931.db2.gz JZLCWTFFBXUQGN-UHFFFAOYSA-N 1 2 246.357 0.732 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000352209470 134107427 /nfs/dbraw/zinc/10/74/27/134107427.db2.gz BSCFCCGZPKDOOL-GXSJLCMTSA-N 1 2 235.287 0.656 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000352211897 134108001 /nfs/dbraw/zinc/10/80/01/134108001.db2.gz MITYGQVDABHVHI-GZMMTYOYSA-N 1 2 235.287 0.656 20 0 BCADLO CCn1ncnc1C[N@H+](C)C1CC(OC)C1 ZINC000352211923 134108003 /nfs/dbraw/zinc/10/80/03/134108003.db2.gz MNTUIXMPROOHOJ-UHFFFAOYSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C1CC(OC)C1 ZINC000352211923 134108004 /nfs/dbraw/zinc/10/80/04/134108004.db2.gz MNTUIXMPROOHOJ-UHFFFAOYSA-N 1 2 224.308 0.907 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000352211899 134108049 /nfs/dbraw/zinc/10/80/49/134108049.db2.gz MITYGQVDABHVHI-KWQFWETISA-N 1 2 235.287 0.656 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000336166073 134113574 /nfs/dbraw/zinc/11/35/74/134113574.db2.gz NTXCPVBSXOFXQB-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000336166073 134113575 /nfs/dbraw/zinc/11/35/75/134113575.db2.gz NTXCPVBSXOFXQB-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C)C(C)(C)C1 ZINC000336167924 134114026 /nfs/dbraw/zinc/11/40/26/134114026.db2.gz ZJFQAVPXHNELGS-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C)C(C)(C)C1 ZINC000336167924 134114027 /nfs/dbraw/zinc/11/40/27/134114027.db2.gz ZJFQAVPXHNELGS-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336179886 134117752 /nfs/dbraw/zinc/11/77/52/134117752.db2.gz SUBOOYFZUWSCFI-SSDOTTSWSA-N 1 2 228.321 0.046 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336179886 134117753 /nfs/dbraw/zinc/11/77/53/134117753.db2.gz SUBOOYFZUWSCFI-SSDOTTSWSA-N 1 2 228.321 0.046 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCC3(CC3)C2)[nH]1 ZINC000352279214 134129266 /nfs/dbraw/zinc/12/92/66/134129266.db2.gz IAUPNLGWXNIATA-UHFFFAOYSA-N 1 2 208.265 0.886 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCC3(CC3)C2)[nH]1 ZINC000352279214 134129267 /nfs/dbraw/zinc/12/92/67/134129267.db2.gz IAUPNLGWXNIATA-UHFFFAOYSA-N 1 2 208.265 0.886 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCn2ncnc2C1 ZINC000352273438 134129833 /nfs/dbraw/zinc/12/98/33/134129833.db2.gz IHGNVSAMGMUDKY-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccncc1C[N@H+]1CCn2ncnc2C1 ZINC000352273438 134129834 /nfs/dbraw/zinc/12/98/34/134129834.db2.gz IHGNVSAMGMUDKY-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000353456773 134163978 /nfs/dbraw/zinc/16/39/78/134163978.db2.gz DKXKNFBMBXBGKN-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168614719 134232170 /nfs/dbraw/zinc/23/21/70/134232170.db2.gz CYVXYHOYSOJNCP-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO C[N@H+](CCCC(=O)NC(N)=O)CC(F)F ZINC000171674673 134257506 /nfs/dbraw/zinc/25/75/06/134257506.db2.gz PITUJMWSPCKJFF-UHFFFAOYSA-N 1 2 223.223 0.158 20 0 BCADLO C[N@@H+](CCCC(=O)NC(N)=O)CC(F)F ZINC000171674673 134257507 /nfs/dbraw/zinc/25/75/07/134257507.db2.gz PITUJMWSPCKJFF-UHFFFAOYSA-N 1 2 223.223 0.158 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)no1 ZINC000172039446 134264534 /nfs/dbraw/zinc/26/45/34/134264534.db2.gz GCDAHQQFHYREBX-DHHPTOIESA-N 1 2 237.303 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)no1 ZINC000172039446 134264535 /nfs/dbraw/zinc/26/45/35/134264535.db2.gz GCDAHQQFHYREBX-DHHPTOIESA-N 1 2 237.303 0.971 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccncc1F ZINC000220007381 134298426 /nfs/dbraw/zinc/29/84/26/134298426.db2.gz VWHQRJXVHOZQHY-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO Cc1occc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178650074 134312630 /nfs/dbraw/zinc/31/26/30/134312630.db2.gz DHCHZCQBQBTUSV-LLVKDONJSA-N 1 2 249.314 0.318 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965840 134313615 /nfs/dbraw/zinc/31/36/15/134313615.db2.gz IMFMLYGSDOMABS-GHMZBOCLSA-N 1 2 249.314 0.811 20 0 BCADLO O=C1CCCN1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000179446857 134320934 /nfs/dbraw/zinc/32/09/34/134320934.db2.gz PQWDIMYVNKGEKJ-UHFFFAOYSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179446857 134320935 /nfs/dbraw/zinc/32/09/35/134320935.db2.gz PQWDIMYVNKGEKJ-UHFFFAOYSA-N 1 2 248.330 0.997 20 0 BCADLO C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH+]c[nH]1 ZINC000179647860 134322757 /nfs/dbraw/zinc/32/27/57/134322757.db2.gz JKSOFPKOKTWDBE-QMMMGPOBSA-N 1 2 231.321 0.275 20 0 BCADLO C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH]c[nH+]1 ZINC000179647860 134322758 /nfs/dbraw/zinc/32/27/58/134322758.db2.gz JKSOFPKOKTWDBE-QMMMGPOBSA-N 1 2 231.321 0.275 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc[nH]c1 ZINC000179644256 134323152 /nfs/dbraw/zinc/32/31/52/134323152.db2.gz AWPUMULGGYJRSM-GHMZBOCLSA-N 1 2 238.287 0.777 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc[nH]c1 ZINC000179644256 134323153 /nfs/dbraw/zinc/32/31/53/134323153.db2.gz AWPUMULGGYJRSM-GHMZBOCLSA-N 1 2 238.287 0.777 20 0 BCADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000221801629 134328066 /nfs/dbraw/zinc/32/80/66/134328066.db2.gz HYTUFLHNJRLODB-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO CO[C@@H](C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000182961351 134349917 /nfs/dbraw/zinc/34/99/17/134349917.db2.gz OZVSSVXRSKAESK-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184833993 134369374 /nfs/dbraw/zinc/36/93/74/134369374.db2.gz IFQVHBMOYUBNFB-UTLUCORTSA-N 1 2 242.319 0.572 20 0 BCADLO Cc1cc(NCCCOCCO)nc[nH+]1 ZINC000227313329 134377619 /nfs/dbraw/zinc/37/76/19/134377619.db2.gz NTQGCPFRIQUGTE-UHFFFAOYSA-N 1 2 211.265 0.596 20 0 BCADLO COCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408088795 134390248 /nfs/dbraw/zinc/39/02/48/134390248.db2.gz KPWIAWCVVCVPGO-MRVPVSSYSA-N 1 2 209.249 0.720 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCc2cncnc2C1 ZINC000408092637 134391314 /nfs/dbraw/zinc/39/13/14/134391314.db2.gz LVEAQHLPLHHRQS-UHFFFAOYSA-N 1 2 248.330 0.749 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCc2cncnc2C1 ZINC000408092637 134391315 /nfs/dbraw/zinc/39/13/15/134391315.db2.gz LVEAQHLPLHHRQS-UHFFFAOYSA-N 1 2 248.330 0.749 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CCS(=O)(=O)C2)s1 ZINC000227872065 134391664 /nfs/dbraw/zinc/39/16/64/134391664.db2.gz JFFXFKQBDMYHKA-MRVPVSSYSA-N 1 2 246.357 0.728 20 0 BCADLO Cc1noc(OCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000408278500 134666730 /nfs/dbraw/zinc/66/67/30/134666730.db2.gz FJPBMPFLPQTEGP-QMMMGPOBSA-N 1 2 227.264 0.478 20 0 BCADLO Cc1noc(OCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000408278500 134666731 /nfs/dbraw/zinc/66/67/31/134666731.db2.gz FJPBMPFLPQTEGP-QMMMGPOBSA-N 1 2 227.264 0.478 20 0 BCADLO CNC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070634637 135000796 /nfs/dbraw/zinc/00/07/96/135000796.db2.gz JFLIRABBZUJAJA-SSDOTTSWSA-N 1 2 213.306 0.848 20 0 BCADLO CC[C@@H]([NH2+]CC(=O)NC)c1nccs1 ZINC000070634282 135000856 /nfs/dbraw/zinc/00/08/56/135000856.db2.gz GOPNUFOYUUYXLN-SSDOTTSWSA-N 1 2 213.306 0.930 20 0 BCADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)n1C ZINC000070651460 135002570 /nfs/dbraw/zinc/00/25/70/135002570.db2.gz TYWOANVXFDEVBV-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cn[nH]c1 ZINC000070650832 135002992 /nfs/dbraw/zinc/00/29/92/135002992.db2.gz NSIOLMUVOMHBFL-UHFFFAOYSA-N 1 2 205.221 0.405 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc[nH]n1 ZINC000070650805 135003235 /nfs/dbraw/zinc/00/32/35/135003235.db2.gz IKKIFORPZXZHDW-UHFFFAOYSA-N 1 2 205.221 0.405 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccn[nH]1 ZINC000070650805 135003236 /nfs/dbraw/zinc/00/32/36/135003236.db2.gz IKKIFORPZXZHDW-UHFFFAOYSA-N 1 2 205.221 0.405 20 0 BCADLO Cn1nccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651515 135005633 /nfs/dbraw/zinc/00/56/33/135005633.db2.gz QPFHCFMYKXDFLM-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248413284 135006602 /nfs/dbraw/zinc/00/66/02/135006602.db2.gz FYUFGHPQQRARQH-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248413284 135006604 /nfs/dbraw/zinc/00/66/04/135006604.db2.gz FYUFGHPQQRARQH-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1csc([C@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC000070733769 135012054 /nfs/dbraw/zinc/01/20/54/135012054.db2.gz SCIIWCRQWDOWPQ-LURJTMIESA-N 1 2 242.304 0.297 20 0 BCADLO CC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248589319 135016276 /nfs/dbraw/zinc/01/62/76/135016276.db2.gz RKAUESGVSCWRQX-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248589319 135016277 /nfs/dbraw/zinc/01/62/77/135016277.db2.gz RKAUESGVSCWRQX-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1[C@@H](C)COC[C@@H]1C ZINC000249005985 135029461 /nfs/dbraw/zinc/02/94/61/135029461.db2.gz IATNQNRQLMQFKU-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1[C@@H](C)COC[C@@H]1C ZINC000249005985 135029463 /nfs/dbraw/zinc/02/94/63/135029463.db2.gz IATNQNRQLMQFKU-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO Cc1nc(N(C)[C@@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000249356164 135036924 /nfs/dbraw/zinc/03/69/24/135036924.db2.gz RDKCVJSZJSLWNZ-VXJOIVPMSA-N 1 2 227.333 0.988 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)[nH]1 ZINC000249371617 135037153 /nfs/dbraw/zinc/03/71/53/135037153.db2.gz WUYKKFJKDSEGSX-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)[nH]1 ZINC000249371617 135037155 /nfs/dbraw/zinc/03/71/55/135037155.db2.gz WUYKKFJKDSEGSX-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CC=C(C)C ZINC000249387084 135037748 /nfs/dbraw/zinc/03/77/48/135037748.db2.gz QAOUHPASSXGARI-MNOVXSKESA-N 1 2 227.304 0.951 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CC=C(C)C ZINC000249387084 135037750 /nfs/dbraw/zinc/03/77/50/135037750.db2.gz QAOUHPASSXGARI-MNOVXSKESA-N 1 2 227.304 0.951 20 0 BCADLO CCCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000078306762 135118537 /nfs/dbraw/zinc/11/85/37/135118537.db2.gz XUHPUVIJSQGZST-UHFFFAOYSA-N 1 2 243.351 0.808 20 0 BCADLO O=C(NCc1cscn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263047978 135124515 /nfs/dbraw/zinc/12/45/15/135124515.db2.gz UGMROZJGFJFAMY-ZETCQYMHSA-N 1 2 247.270 0.757 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000253601584 135127395 /nfs/dbraw/zinc/12/73/95/135127395.db2.gz UFGNVBIMTPHEAX-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](C)C2)C1 ZINC000253601584 135127396 /nfs/dbraw/zinc/12/73/96/135127396.db2.gz UFGNVBIMTPHEAX-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO COCCc1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000078727798 135146230 /nfs/dbraw/zinc/14/62/30/135146230.db2.gz YGLGXHLRBMKDGV-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000078727798 135146231 /nfs/dbraw/zinc/14/62/31/135146231.db2.gz YGLGXHLRBMKDGV-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000261074385 135149635 /nfs/dbraw/zinc/14/96/35/135149635.db2.gz QFMVAVVYMNXFEX-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000261074385 135149637 /nfs/dbraw/zinc/14/96/37/135149637.db2.gz QFMVAVVYMNXFEX-UHFFFAOYSA-N 1 2 240.303 0.246 20 0 BCADLO CS[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261539489 135177587 /nfs/dbraw/zinc/17/75/87/135177587.db2.gz COMHHWOQJVWEQB-BQBZGAKWSA-N 1 2 238.303 0.851 20 0 BCADLO Cn1nccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081840 135181387 /nfs/dbraw/zinc/18/13/87/135181387.db2.gz JVCLRBIQRLBDAM-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1nccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081840 135181388 /nfs/dbraw/zinc/18/13/88/135181388.db2.gz JVCLRBIQRLBDAM-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261552406 135191203 /nfs/dbraw/zinc/19/12/03/135191203.db2.gz RJKVAOATWYMGNF-SCSAIBSYSA-N 1 2 234.231 0.474 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H](CO)OC(C)(C)C1 ZINC000163855657 135207684 /nfs/dbraw/zinc/20/76/84/135207684.db2.gz IKASLXBGKUKDGC-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO CCOC[C@@H](C)[NH2+]C(C)(C)C(=O)OC ZINC000164035862 135211898 /nfs/dbraw/zinc/21/18/98/135211898.db2.gz VQUUIXFHRBRAFG-MRVPVSSYSA-N 1 2 203.282 0.953 20 0 BCADLO CCOC[C@H](C)[NH2+]C(C)(C)C(=O)OC ZINC000164035951 135212640 /nfs/dbraw/zinc/21/26/40/135212640.db2.gz VQUUIXFHRBRAFG-QMMMGPOBSA-N 1 2 203.282 0.953 20 0 BCADLO Cc1cc(N2CC(O)(C3CC3)C2)nc[nH+]1 ZINC000084376577 135214664 /nfs/dbraw/zinc/21/46/64/135214664.db2.gz KFIMNSRNKSWBJC-UHFFFAOYSA-N 1 2 205.261 0.746 20 0 BCADLO Cc1nc(N2CC(O)(C3CC3)C2)cc[nH+]1 ZINC000084376591 135214928 /nfs/dbraw/zinc/21/49/28/135214928.db2.gz HLOXSFQYLYKIFC-UHFFFAOYSA-N 1 2 205.261 0.746 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[NH+]1CC(O)(C2CC2)C1 ZINC000084377169 135215389 /nfs/dbraw/zinc/21/53/89/135215389.db2.gz XGXSHMBRZMBFKA-QMMMGPOBSA-N 1 2 224.304 0.110 20 0 BCADLO O[C@@H](C[NH+]1CC(O)(C2CC2)C1)C(F)(F)F ZINC000084377201 135216014 /nfs/dbraw/zinc/21/60/14/135216014.db2.gz JMBMXZIENURGTE-ZETCQYMHSA-N 1 2 225.210 0.366 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000342417349 135266681 /nfs/dbraw/zinc/26/66/81/135266681.db2.gz QQYYLPLBAVJXAW-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cncn1C ZINC000342629041 135297256 /nfs/dbraw/zinc/29/72/56/135297256.db2.gz DDVZYYRWSRNXRU-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cncn1C ZINC000342629041 135297257 /nfs/dbraw/zinc/29/72/57/135297257.db2.gz DDVZYYRWSRNXRU-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)N(C)Cc1c[nH+]cn1C ZINC000342629041 135297258 /nfs/dbraw/zinc/29/72/58/135297258.db2.gz DDVZYYRWSRNXRU-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1[nH]c2ccc(Cn3cnn(C)c3=O)cc2[nH+]1 ZINC000342683740 135304328 /nfs/dbraw/zinc/30/43/28/135304328.db2.gz FHYZNLMNWBVOBB-UHFFFAOYSA-N 1 2 243.270 0.815 20 0 BCADLO Cc1[nH]c2cc(Cn3cnn(C)c3=O)ccc2[nH+]1 ZINC000342683740 135304329 /nfs/dbraw/zinc/30/43/29/135304329.db2.gz FHYZNLMNWBVOBB-UHFFFAOYSA-N 1 2 243.270 0.815 20 0 BCADLO COCc1cnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000342680566 135304354 /nfs/dbraw/zinc/30/43/54/135304354.db2.gz KICNHSSIJYIQAD-MRVPVSSYSA-N 1 2 228.317 0.856 20 0 BCADLO COCc1cnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000342680566 135304356 /nfs/dbraw/zinc/30/43/56/135304356.db2.gz KICNHSSIJYIQAD-MRVPVSSYSA-N 1 2 228.317 0.856 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)nn1C ZINC000342651585 135307096 /nfs/dbraw/zinc/30/70/96/135307096.db2.gz YJFIBFUKSFYFJJ-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)nn1C ZINC000342651585 135307098 /nfs/dbraw/zinc/30/70/98/135307098.db2.gz YJFIBFUKSFYFJJ-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO CN(CC(N)=O)Cc1cccc2[nH+]ccn21 ZINC000342670338 135309773 /nfs/dbraw/zinc/30/97/73/135309773.db2.gz FTTASYFCXDUJJU-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO CCOc1cccc(C[N@H+](C)CC(=O)NC)n1 ZINC000342721636 135314813 /nfs/dbraw/zinc/31/48/13/135314813.db2.gz ABFGKVCYEWBWSB-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCOc1cccc(C[N@@H+](C)CC(=O)NC)n1 ZINC000342721636 135314814 /nfs/dbraw/zinc/31/48/14/135314814.db2.gz ABFGKVCYEWBWSB-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1[nH+]cc(C)n1C ZINC000342796334 135320085 /nfs/dbraw/zinc/32/00/85/135320085.db2.gz YBLRQKACZOUOQU-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO COC(=O)[C@H](NCc1[nH+]cc(C)n1C)C1CC1 ZINC000342797576 135321138 /nfs/dbraw/zinc/32/11/38/135321138.db2.gz QAOYISGOAFMTMH-LLVKDONJSA-N 1 2 237.303 0.770 20 0 BCADLO Cn1cc[nH+]c1CNc1nccn2cnnc12 ZINC000079470296 135322428 /nfs/dbraw/zinc/32/24/28/135322428.db2.gz DXJWSGIWRQPGFS-UHFFFAOYSA-N 1 2 229.247 0.470 20 0 BCADLO c1coc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000334167472 135324716 /nfs/dbraw/zinc/32/47/16/135324716.db2.gz ANOWJHURIFKGPQ-UHFFFAOYSA-N 1 2 204.233 0.928 20 0 BCADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000342762105 135325347 /nfs/dbraw/zinc/32/53/47/135325347.db2.gz VVXJWODCBNBDAL-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CCOC1 ZINC000263012122 135326720 /nfs/dbraw/zinc/32/67/20/135326720.db2.gz PUIJQVLNXGJCCL-SFYZADRCSA-N 1 2 234.246 0.231 20 0 BCADLO C[C@@]1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCO1 ZINC000263201425 135339640 /nfs/dbraw/zinc/33/96/40/135339640.db2.gz JCPDGEGPDVZJGH-WPRPVWTQSA-N 1 2 248.273 0.669 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263269599 135343901 /nfs/dbraw/zinc/34/39/01/135343901.db2.gz RZHXWQBEDGKSIF-RKDXNWHRSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1CC1 ZINC000334307204 135348810 /nfs/dbraw/zinc/34/88/10/135348810.db2.gz DEBOFOPWPOHZTA-JQWIXIFHSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H](C[NH+]1CC(O)(C2CC2)C1)CS(C)(=O)=O ZINC000366797050 135350929 /nfs/dbraw/zinc/35/09/29/135350929.db2.gz TVKKEJITKGCMFZ-SECBINFHSA-N 1 2 247.360 0.124 20 0 BCADLO CC(C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334347283 135366381 /nfs/dbraw/zinc/36/63/81/135366381.db2.gz REMCDKGYROJLCB-WDEREUQCSA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334347283 135366382 /nfs/dbraw/zinc/36/63/82/135366382.db2.gz REMCDKGYROJLCB-WDEREUQCSA-N 1 2 226.320 0.574 20 0 BCADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000334351600 135368720 /nfs/dbraw/zinc/36/87/20/135368720.db2.gz GIWIKELUMMRMTR-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO O=C1CNC(=O)N1Cc1ccn2cc[nH+]c2c1 ZINC000334358433 135370915 /nfs/dbraw/zinc/37/09/15/135370915.db2.gz SOSUPIRSNHVVPU-UHFFFAOYSA-N 1 2 230.227 0.386 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC(=O)NCC1(C)C ZINC000334373304 135376543 /nfs/dbraw/zinc/37/65/43/135376543.db2.gz SVXHHXLGZDTSRU-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](F)C[N@H+]1CC(=O)NCC1(C)C ZINC000334373304 135376544 /nfs/dbraw/zinc/37/65/44/135376544.db2.gz SVXHHXLGZDTSRU-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334373492 135376569 /nfs/dbraw/zinc/37/65/69/135376569.db2.gz CHDQZZMWOMGNER-PWSUYJOCSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)n(C)n1 ZINC000299955477 135383341 /nfs/dbraw/zinc/38/33/41/135383341.db2.gz CJFKMHYJOGNKRU-JQWIXIFHSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)n(C)n1 ZINC000299955477 135383343 /nfs/dbraw/zinc/38/33/43/135383343.db2.gz CJFKMHYJOGNKRU-JQWIXIFHSA-N 1 2 239.319 0.310 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOCC12CCC2 ZINC000093509866 135600475 /nfs/dbraw/zinc/60/04/75/135600475.db2.gz UFQXLLGNDCRCHQ-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1nncc1C[N@H+]1CCOCC12CCC2 ZINC000093509866 135600477 /nfs/dbraw/zinc/60/04/77/135600477.db2.gz UFQXLLGNDCRCHQ-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000194741043 135649342 /nfs/dbraw/zinc/64/93/42/135649342.db2.gz DPRCMCFRXNESRS-SSDOTTSWSA-N 1 2 235.243 0.165 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000344083914 135741871 /nfs/dbraw/zinc/74/18/71/135741871.db2.gz CDMIQSIRCZXFJS-VIFPVBQESA-N 1 2 235.287 0.541 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CO ZINC000344862351 135806840 /nfs/dbraw/zinc/80/68/40/135806840.db2.gz GOFCNWULFIJYEL-UWVGGRQHSA-N 1 2 227.283 0.808 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)cc(=O)[nH]1 ZINC000347603272 135995579 /nfs/dbraw/zinc/99/55/79/135995579.db2.gz YAUQRSWLNGVRCD-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO COC1(C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000347728825 136003825 /nfs/dbraw/zinc/00/38/25/136003825.db2.gz ZLSDDDBSYVSUMJ-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1cnnn1C ZINC000347689465 136005486 /nfs/dbraw/zinc/00/54/86/136005486.db2.gz VHWXOIPJHLGYJK-VIFPVBQESA-N 1 2 234.307 0.742 20 0 BCADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1cnnn1C ZINC000347689465 136005487 /nfs/dbraw/zinc/00/54/87/136005487.db2.gz VHWXOIPJHLGYJK-VIFPVBQESA-N 1 2 234.307 0.742 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000347909475 136016150 /nfs/dbraw/zinc/01/61/50/136016150.db2.gz INPUXQMLXBSOKB-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000347909475 136016151 /nfs/dbraw/zinc/01/61/51/136016151.db2.gz INPUXQMLXBSOKB-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000347916784 136018265 /nfs/dbraw/zinc/01/82/65/136018265.db2.gz KHJVHFIRNHVONA-SECBINFHSA-N 1 2 222.292 0.049 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000347916784 136018266 /nfs/dbraw/zinc/01/82/66/136018266.db2.gz KHJVHFIRNHVONA-SECBINFHSA-N 1 2 222.292 0.049 20 0 BCADLO C[C@H](C(=O)N(C)CC1CCC1)[NH+]1CCOCC1 ZINC000347945946 136019286 /nfs/dbraw/zinc/01/92/86/136019286.db2.gz YKRNLIFMVTVLPE-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000347994128 136023390 /nfs/dbraw/zinc/02/33/90/136023390.db2.gz DOBWIDUPAJTBGD-MWLCHTKSSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)n1 ZINC000348097402 136035582 /nfs/dbraw/zinc/03/55/82/136035582.db2.gz VCMHPCHCLUAJKO-NKWVEPMBSA-N 1 2 238.291 0.696 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C1CC1 ZINC000348186540 136037677 /nfs/dbraw/zinc/03/76/77/136037677.db2.gz OLUIVFXAYOGJAW-GHMZBOCLSA-N 1 2 245.319 0.314 20 0 BCADLO C[N@H+](Cc1ncnn1CC(F)F)[C@@H]1CCOC1 ZINC000348156749 136040773 /nfs/dbraw/zinc/04/07/73/136040773.db2.gz JISASAPGIZHOBN-MRVPVSSYSA-N 1 2 246.261 0.764 20 0 BCADLO C[N@@H+](Cc1ncnn1CC(F)F)[C@@H]1CCOC1 ZINC000348156749 136040774 /nfs/dbraw/zinc/04/07/74/136040774.db2.gz JISASAPGIZHOBN-MRVPVSSYSA-N 1 2 246.261 0.764 20 0 BCADLO OC[C@@H]1CC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000348216727 136046466 /nfs/dbraw/zinc/04/64/66/136046466.db2.gz IAQZZPMFPVKWNE-UWVGGRQHSA-N 1 2 211.265 0.039 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC)C[C@H](C)O1 ZINC000348218208 136046796 /nfs/dbraw/zinc/04/67/96/136046796.db2.gz QZZWWUKDPXFKHS-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H](C)O1 ZINC000348218208 136046797 /nfs/dbraw/zinc/04/67/97/136046797.db2.gz QZZWWUKDPXFKHS-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO FC1=CCC[N@H+](CCN2CCOCC2)C1 ZINC000335327502 136052175 /nfs/dbraw/zinc/05/21/75/136052175.db2.gz MAXQPEPRAIJHPY-UHFFFAOYSA-N 1 2 214.284 0.878 20 0 BCADLO FC1=CCC[N@@H+](CCN2CCOCC2)C1 ZINC000335327502 136052176 /nfs/dbraw/zinc/05/21/76/136052176.db2.gz MAXQPEPRAIJHPY-UHFFFAOYSA-N 1 2 214.284 0.878 20 0 BCADLO FC1=CCCN(CC[NH+]2CCOCC2)C1 ZINC000335327502 136052177 /nfs/dbraw/zinc/05/21/77/136052177.db2.gz MAXQPEPRAIJHPY-UHFFFAOYSA-N 1 2 214.284 0.878 20 0 BCADLO C[C@H]1COC(C)(C)CN1C(=O)Cn1cc[nH+]c1 ZINC000335332278 136054228 /nfs/dbraw/zinc/05/42/28/136054228.db2.gz IZUNJKODCCMDNX-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000348252550 136057265 /nfs/dbraw/zinc/05/72/65/136057265.db2.gz ZQIJRGOMIUVCRD-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000348252550 136057266 /nfs/dbraw/zinc/05/72/66/136057266.db2.gz ZQIJRGOMIUVCRD-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cccnc2OC)C1 ZINC000348294483 136062812 /nfs/dbraw/zinc/06/28/12/136062812.db2.gz WLRNFXFJXLOMIV-UHFFFAOYSA-N 1 2 235.287 0.268 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CO1 ZINC000335348403 136067531 /nfs/dbraw/zinc/06/75/31/136067531.db2.gz KNQIKBHXXIHGIM-DTWKUNHWSA-N 1 2 238.291 0.397 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000335367852 136082098 /nfs/dbraw/zinc/08/20/98/136082098.db2.gz YKLSZWKEPWGOSP-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cnccc1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000335367852 136082099 /nfs/dbraw/zinc/08/20/99/136082099.db2.gz YKLSZWKEPWGOSP-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000335372699 136083833 /nfs/dbraw/zinc/08/38/33/136083833.db2.gz NTGCFRVRMFLKKF-WDSKDSINSA-N 1 2 246.254 0.219 20 0 BCADLO Cc1cccc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000335364489 136095031 /nfs/dbraw/zinc/09/50/31/136095031.db2.gz AHEFZHOOZXMIQW-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cccc(CC[N@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000335364489 136095032 /nfs/dbraw/zinc/09/50/32/136095032.db2.gz AHEFZHOOZXMIQW-NSHDSACASA-N 1 2 233.315 0.753 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000348570807 136098884 /nfs/dbraw/zinc/09/88/84/136098884.db2.gz NBLWNZLXFLVGBB-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO CCCNC(=O)C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000348570807 136098885 /nfs/dbraw/zinc/09/88/85/136098885.db2.gz NBLWNZLXFLVGBB-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO COC(=O)CCNc1nc[nH+]c2c1CCC2 ZINC000061276894 322858530 /nfs/dbraw/zinc/85/85/30/322858530.db2.gz QOCFLGHGOPUSMS-UHFFFAOYSA-N 1 2 221.260 0.940 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](CO)O1 ZINC000299973705 397748647 /nfs/dbraw/zinc/74/86/47/397748647.db2.gz XTCMWQLYJRMGGQ-MWLCHTKSSA-N 1 2 238.287 0.160 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C(C)C)C(C)C ZINC000300826482 397777443 /nfs/dbraw/zinc/77/74/43/397777443.db2.gz BNYVNAWBWXTHOM-NXEZZACHSA-N 1 2 217.309 0.791 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)CF ZINC000360105343 397779334 /nfs/dbraw/zinc/77/93/34/397779334.db2.gz RBILKEMFDPWHFB-UHFFFAOYSA-N 1 2 228.271 0.967 20 0 BCADLO COC[C@H](C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011788 397806299 /nfs/dbraw/zinc/80/62/99/397806299.db2.gz ZVIOCHJRWMBBNH-DTWKUNHWSA-N 1 2 241.291 0.990 20 0 BCADLO COC[C@H](C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011788 397806307 /nfs/dbraw/zinc/80/63/07/397806307.db2.gz ZVIOCHJRWMBBNH-DTWKUNHWSA-N 1 2 241.291 0.990 20 0 BCADLO C[C@H]1OCC[N@H+](C[C@H]2CCCCO2)[C@@H]1C(N)=O ZINC000408047234 397840598 /nfs/dbraw/zinc/84/05/98/397840598.db2.gz OQPYVLBIUIYMLH-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H]1OCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1C(N)=O ZINC000408047234 397840600 /nfs/dbraw/zinc/84/06/00/397840600.db2.gz OQPYVLBIUIYMLH-MXWKQRLJSA-N 1 2 242.319 0.130 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](C(N)=O)C1 ZINC000178811838 397847948 /nfs/dbraw/zinc/84/79/48/397847948.db2.gz XTUBCVZWINZLQP-SECBINFHSA-N 1 2 244.298 0.885 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnn1C ZINC000186343533 397877373 /nfs/dbraw/zinc/87/73/73/397877373.db2.gz SBCUJOJBWZWTKJ-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnn1C ZINC000186343533 397877376 /nfs/dbraw/zinc/87/73/76/397877376.db2.gz SBCUJOJBWZWTKJ-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)[nH]n1 ZINC000169820989 397817409 /nfs/dbraw/zinc/81/74/09/397817409.db2.gz JQABJQWHRRJCET-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1ncc(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000264834740 397928413 /nfs/dbraw/zinc/92/84/13/397928413.db2.gz JTCRONCAZWWAHM-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000440527644 397931175 /nfs/dbraw/zinc/93/11/75/397931175.db2.gz ZOXBWCOWMPDMBA-DTWKUNHWSA-N 1 2 218.272 0.181 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000440527644 397931179 /nfs/dbraw/zinc/93/11/79/397931179.db2.gz ZOXBWCOWMPDMBA-DTWKUNHWSA-N 1 2 218.272 0.181 20 0 BCADLO CCNC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649543612 397935582 /nfs/dbraw/zinc/93/55/82/397935582.db2.gz SNOMJRZDEVCTPU-VIFPVBQESA-N 1 2 238.291 0.087 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COCC1CC1 ZINC000266979566 397941486 /nfs/dbraw/zinc/94/14/86/397941486.db2.gz PGOUGIFVRADUSE-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CCN(Cc1cn(C)nn1)c1cc[nH+]c(C)n1 ZINC000359063795 397947918 /nfs/dbraw/zinc/94/79/18/397947918.db2.gz FGPVBMZYPJXUOX-UHFFFAOYSA-N 1 2 232.291 0.940 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCN1C ZINC000649529313 397921472 /nfs/dbraw/zinc/92/14/72/397921472.db2.gz MEAXGIIOSWSKKC-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCN1C ZINC000649529313 397921478 /nfs/dbraw/zinc/92/14/78/397921478.db2.gz MEAXGIIOSWSKKC-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO COC(=O)c1cc(C[NH+]2CCOCC2)cn1C ZINC000261069005 397991889 /nfs/dbraw/zinc/99/18/89/397991889.db2.gz OTAVLPFHWVCNIN-UHFFFAOYSA-N 1 2 238.287 0.644 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000649622649 398007136 /nfs/dbraw/zinc/00/71/36/398007136.db2.gz PIFUYUJWKBQGDB-GFCCVEGCSA-N 1 2 248.330 0.669 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000649622649 398007140 /nfs/dbraw/zinc/00/71/40/398007140.db2.gz PIFUYUJWKBQGDB-GFCCVEGCSA-N 1 2 248.330 0.669 20 0 BCADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]cn2C)[nH]1 ZINC000356509919 398020816 /nfs/dbraw/zinc/02/08/16/398020816.db2.gz VBGORQUIOCSOJC-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO CCC[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000336730409 398021921 /nfs/dbraw/zinc/02/19/21/398021921.db2.gz IHDONNSEYVTIBD-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO Cc1nnc(C[NH+]2CCC(C3(O)CC3)CC2)[nH]1 ZINC000649670500 398031664 /nfs/dbraw/zinc/03/16/64/398031664.db2.gz OAMCOTQHUPYGSP-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649673054 398033992 /nfs/dbraw/zinc/03/39/92/398033992.db2.gz CDAGOWCLOIHUBK-UHFFFAOYSA-N 1 2 236.319 0.552 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)Cn1cccn1 ZINC000278761252 398041309 /nfs/dbraw/zinc/04/13/09/398041309.db2.gz WJDNUPCUAYLDPC-VIFPVBQESA-N 1 2 247.302 0.662 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)Cn1cccn1 ZINC000278761252 398041314 /nfs/dbraw/zinc/04/13/14/398041314.db2.gz WJDNUPCUAYLDPC-VIFPVBQESA-N 1 2 247.302 0.662 20 0 BCADLO COCC(COC)[NH2+]Cc1ncnn1C(C)C ZINC000388474638 397979683 /nfs/dbraw/zinc/97/96/83/397979683.db2.gz PVEQCCCPCWWBBC-UHFFFAOYSA-N 1 2 242.323 0.610 20 0 BCADLO COC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279271090 398043353 /nfs/dbraw/zinc/04/33/53/398043353.db2.gz VJPIDYIZWICAEA-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000452135409 397985081 /nfs/dbraw/zinc/98/50/81/397985081.db2.gz VYDYDUPPZWTVHY-MNOVXSKESA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(CCO)C[C@H]1C ZINC000452135409 397985083 /nfs/dbraw/zinc/98/50/83/397985083.db2.gz VYDYDUPPZWTVHY-MNOVXSKESA-N 1 2 218.316 0.733 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H]1CON(CC)C1=O ZINC000595308551 397988391 /nfs/dbraw/zinc/98/83/91/397988391.db2.gz KJWKOWIDGNCNRD-VIFPVBQESA-N 1 2 244.291 0.034 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H]1CON(CC)C1=O ZINC000595308551 397988395 /nfs/dbraw/zinc/98/83/95/397988395.db2.gz KJWKOWIDGNCNRD-VIFPVBQESA-N 1 2 244.291 0.034 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@@H]1CON(CC)C1=O ZINC000595308550 397988464 /nfs/dbraw/zinc/98/84/64/397988464.db2.gz KJWKOWIDGNCNRD-SECBINFHSA-N 1 2 244.291 0.034 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@@H]1CON(CC)C1=O ZINC000595308550 397988468 /nfs/dbraw/zinc/98/84/68/397988468.db2.gz KJWKOWIDGNCNRD-SECBINFHSA-N 1 2 244.291 0.034 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOCC2(CCC2)C1 ZINC000555022628 397989454 /nfs/dbraw/zinc/98/94/54/397989454.db2.gz CHCRYBDBVZGCIL-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000649729666 398068116 /nfs/dbraw/zinc/06/81/16/398068116.db2.gz DDEHMLNVYMWPPF-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000649729666 398068119 /nfs/dbraw/zinc/06/81/19/398068119.db2.gz DDEHMLNVYMWPPF-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)[C@H](C)CO1 ZINC000649731803 398071321 /nfs/dbraw/zinc/07/13/21/398071321.db2.gz NDQOYDCARIROSA-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)[C@H](C)CO1 ZINC000649731803 398071325 /nfs/dbraw/zinc/07/13/25/398071325.db2.gz NDQOYDCARIROSA-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)[C@@H](C)CO1 ZINC000649731802 398071645 /nfs/dbraw/zinc/07/16/45/398071645.db2.gz NDQOYDCARIROSA-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)[C@@H](C)CO1 ZINC000649731802 398071649 /nfs/dbraw/zinc/07/16/49/398071649.db2.gz NDQOYDCARIROSA-IUCAKERBSA-N 1 2 200.282 0.232 20 0 BCADLO Cc1nc(NCCCC2CC2)nc(N)[nH+]1 ZINC000389378813 398079361 /nfs/dbraw/zinc/07/93/61/398079361.db2.gz PMSAJKLDHLYZDX-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO Cc1nc(N)nc(NCCCC2CC2)[nH+]1 ZINC000389378813 398079364 /nfs/dbraw/zinc/07/93/64/398079364.db2.gz PMSAJKLDHLYZDX-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1ccccn1 ZINC000186976611 398080575 /nfs/dbraw/zinc/08/05/75/398080575.db2.gz FMUVPQNWSGKKDD-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1ccccn1 ZINC000186976611 398080576 /nfs/dbraw/zinc/08/05/76/398080576.db2.gz FMUVPQNWSGKKDD-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO COC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186975815 398080941 /nfs/dbraw/zinc/08/09/41/398080941.db2.gz YDDNRIAWHWXNPD-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186975815 398080945 /nfs/dbraw/zinc/08/09/45/398080945.db2.gz YDDNRIAWHWXNPD-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CC[N@H+](Cc1nncn1C)[C@H]1CCCOC1 ZINC000649755132 398085112 /nfs/dbraw/zinc/08/51/12/398085112.db2.gz GAIMJQZCQFPMCQ-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1nncn1C)[C@H]1CCCOC1 ZINC000649755132 398085116 /nfs/dbraw/zinc/08/51/16/398085116.db2.gz GAIMJQZCQFPMCQ-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000291568615 398095624 /nfs/dbraw/zinc/09/56/24/398095624.db2.gz NSZAUOQBHGDXPN-WDEREUQCSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000291568615 398095628 /nfs/dbraw/zinc/09/56/28/398095628.db2.gz NSZAUOQBHGDXPN-WDEREUQCSA-N 1 2 239.319 0.954 20 0 BCADLO CC(C)[C@@H](O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000291110613 398088795 /nfs/dbraw/zinc/08/87/95/398088795.db2.gz MOEKRCPIGADRLE-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1C ZINC000649761645 398089818 /nfs/dbraw/zinc/08/98/18/398089818.db2.gz FWOYIBCUAOCGNB-NXEZZACHSA-N 1 2 225.292 0.002 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nccn1C ZINC000649761645 398089823 /nfs/dbraw/zinc/08/98/23/398089823.db2.gz FWOYIBCUAOCGNB-NXEZZACHSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000280199500 398054578 /nfs/dbraw/zinc/05/45/78/398054578.db2.gz ADXBBLONRKSINB-OLBFVZFUSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000280199500 398054580 /nfs/dbraw/zinc/05/45/80/398054580.db2.gz ADXBBLONRKSINB-OLBFVZFUSA-N 1 2 227.333 0.751 20 0 BCADLO CO[C@H](C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000280524788 398056452 /nfs/dbraw/zinc/05/64/52/398056452.db2.gz XYHGASCBFKHQTD-JTQLQIEISA-N 1 2 223.276 0.759 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000649799496 398109186 /nfs/dbraw/zinc/10/91/86/398109186.db2.gz YGTQSEJTIRAIDG-QMMMGPOBSA-N 1 2 240.307 0.351 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000649798782 398107770 /nfs/dbraw/zinc/10/77/70/398107770.db2.gz HZOHXGVBKQRSGY-VIFPVBQESA-N 1 2 239.323 0.051 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214183 398130293 /nfs/dbraw/zinc/13/02/93/398130293.db2.gz KSUVBTNOSNXIQM-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649213694 398131028 /nfs/dbraw/zinc/13/10/28/398131028.db2.gz IBKINMQCQYHKKO-SNVBAGLBSA-N 1 2 249.314 0.334 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1nncs1 ZINC000547863888 398133488 /nfs/dbraw/zinc/13/34/88/398133488.db2.gz NMKPTWYILFCBHK-UHFFFAOYSA-N 1 2 223.261 0.453 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000547863484 398133709 /nfs/dbraw/zinc/13/37/09/398133709.db2.gz GYYVKEFFAITUDG-BDAKNGLRSA-N 1 2 207.277 0.735 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccccn1 ZINC000547864493 398133731 /nfs/dbraw/zinc/13/37/31/398133731.db2.gz FJSILZUFUPYKAA-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000336609234 173274445 /nfs/dbraw/zinc/27/44/45/173274445.db2.gz BXEHEHJUFBLURB-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO CNC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000336609234 173274446 /nfs/dbraw/zinc/27/44/46/173274446.db2.gz BXEHEHJUFBLURB-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133994836 167050819 /nfs/dbraw/zinc/05/08/19/167050819.db2.gz KPPIQTZGWHIVPN-UHFFFAOYSA-N 1 2 229.324 0.097 20 0 BCADLO CC(C)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133994836 167050821 /nfs/dbraw/zinc/05/08/21/167050821.db2.gz KPPIQTZGWHIVPN-UHFFFAOYSA-N 1 2 229.324 0.097 20 0 BCADLO CC(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336442399 167083822 /nfs/dbraw/zinc/08/38/22/167083822.db2.gz VWIIPBVWKDRJDA-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO COCCNC(=O)CCc1c[nH+]cn1C ZINC000331052779 174320148 /nfs/dbraw/zinc/32/01/48/174320148.db2.gz MXKYZHLKGAKDHI-UHFFFAOYSA-N 1 2 211.265 0.115 20 0 BCADLO CC(C)NS(=O)(=O)CC[NH2+]Cc1cocn1 ZINC000192308183 167123792 /nfs/dbraw/zinc/12/37/92/167123792.db2.gz SYQCVHIIQIKIDN-UHFFFAOYSA-N 1 2 247.320 0.092 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@@H](C)O)co1 ZINC000382023521 487529348 /nfs/dbraw/zinc/52/93/48/487529348.db2.gz YYZPXHQDDDEIOW-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@@H](C)O)co1 ZINC000382023521 487529352 /nfs/dbraw/zinc/52/93/52/487529352.db2.gz YYZPXHQDDDEIOW-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000331154142 167152816 /nfs/dbraw/zinc/15/28/16/167152816.db2.gz OZZQIFQKJLLELD-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H](CO)C1 ZINC000331154142 167152818 /nfs/dbraw/zinc/15/28/18/167152818.db2.gz OZZQIFQKJLLELD-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)OC(=O)CC[N@H+](C)Cc1nncn1C ZINC000286997325 167154755 /nfs/dbraw/zinc/15/47/55/167154755.db2.gz PVMXJILOXMRMBB-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO CC(C)OC(=O)CC[N@@H+](C)Cc1nncn1C ZINC000286997325 167154758 /nfs/dbraw/zinc/15/47/58/167154758.db2.gz PVMXJILOXMRMBB-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1c[nH+]cn1C ZINC000674370313 487566980 /nfs/dbraw/zinc/56/69/80/487566980.db2.gz WYUUMMSGFLOSGX-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](O)C2(CC2)C1 ZINC000527004256 487567235 /nfs/dbraw/zinc/56/72/35/487567235.db2.gz UUGNNCQHCSPQEN-SNVBAGLBSA-N 1 2 235.287 0.326 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](O)C2(CC2)C1 ZINC000527004256 487567240 /nfs/dbraw/zinc/56/72/40/487567240.db2.gz UUGNNCQHCSPQEN-SNVBAGLBSA-N 1 2 235.287 0.326 20 0 BCADLO CC(C)OCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330620301 167187596 /nfs/dbraw/zinc/18/75/96/167187596.db2.gz JQNNZVYUKWULTA-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)OCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330620301 167187598 /nfs/dbraw/zinc/18/75/98/167187598.db2.gz JQNNZVYUKWULTA-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO CCc1cc(C(=O)NCCc2[nH]cc[nH+]2)n(C)n1 ZINC000141120442 487575683 /nfs/dbraw/zinc/57/56/83/487575683.db2.gz ULSHFMGFHFAHLE-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO c1cc([C@@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n[nH]1 ZINC000670990566 487577260 /nfs/dbraw/zinc/57/72/60/487577260.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990566 487577264 /nfs/dbraw/zinc/57/72/64/487577264.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990566 487577268 /nfs/dbraw/zinc/57/72/68/487577268.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n[nH]1 ZINC000670990566 487577273 /nfs/dbraw/zinc/57/72/73/487577273.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 1 2 232.291 0.907 20 0 BCADLO c1cc([C@@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n[nH]1 ZINC000670990566 487577277 /nfs/dbraw/zinc/57/72/77/487577277.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 1 2 232.291 0.907 20 0 BCADLO Cn1nc(C[N@H+](C)CCOC(C)(C)C)[nH]c1=O ZINC000680375307 487577382 /nfs/dbraw/zinc/57/73/82/487577382.db2.gz PEGZGHWCVRMQPZ-UHFFFAOYSA-N 1 2 242.323 0.355 20 0 BCADLO Cn1nc(C[N@@H+](C)CCOC(C)(C)C)[nH]c1=O ZINC000680375307 487577386 /nfs/dbraw/zinc/57/73/86/487577386.db2.gz PEGZGHWCVRMQPZ-UHFFFAOYSA-N 1 2 242.323 0.355 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cscn2)C1 ZINC000674464533 487579531 /nfs/dbraw/zinc/57/95/31/487579531.db2.gz HCVLAYZWLDSAAD-DTORHVGOSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cscn2)C1 ZINC000674464533 487579532 /nfs/dbraw/zinc/57/95/32/487579532.db2.gz HCVLAYZWLDSAAD-DTORHVGOSA-N 1 2 214.290 0.071 20 0 BCADLO CC(C)OCC[N@H+](C)Cc1nncn1C ZINC000336649191 167227026 /nfs/dbraw/zinc/22/70/26/167227026.db2.gz QLQCGPRIYROGTN-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)OCC[N@@H+](C)Cc1nncn1C ZINC000336649191 167227027 /nfs/dbraw/zinc/22/70/27/167227027.db2.gz QLQCGPRIYROGTN-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cs1 ZINC000674464777 487581283 /nfs/dbraw/zinc/58/12/83/487581283.db2.gz KNCPAHASXWXYIM-AOOOYVTPSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cs1 ZINC000674464777 487581288 /nfs/dbraw/zinc/58/12/88/487581288.db2.gz KNCPAHASXWXYIM-AOOOYVTPSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000674467006 487582493 /nfs/dbraw/zinc/58/24/93/487582493.db2.gz QGJPNLAJIHOEKY-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000674467006 487582495 /nfs/dbraw/zinc/58/24/95/487582495.db2.gz QGJPNLAJIHOEKY-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000672156415 487584504 /nfs/dbraw/zinc/58/45/04/487584504.db2.gz OGTQQRKFNDUONW-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO CCN1C(=O)[C@H]2C[N@H+](CC(F)F)CCN2C1=O ZINC000674470184 487586028 /nfs/dbraw/zinc/58/60/28/487586028.db2.gz QJRPFFFPDRTKOG-SSDOTTSWSA-N 1 2 247.245 0.220 20 0 BCADLO CCN1C(=O)[C@H]2C[N@@H+](CC(F)F)CCN2C1=O ZINC000674470184 487586036 /nfs/dbraw/zinc/58/60/36/487586036.db2.gz QJRPFFFPDRTKOG-SSDOTTSWSA-N 1 2 247.245 0.220 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000674500259 487588152 /nfs/dbraw/zinc/58/81/52/487588152.db2.gz STHYSIOKXBVXFY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC000674500259 487588155 /nfs/dbraw/zinc/58/81/55/487588155.db2.gz STHYSIOKXBVXFY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(F)F ZINC000671475560 487588504 /nfs/dbraw/zinc/58/85/04/487588504.db2.gz QMVMURYDDOYLIW-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(F)F ZINC000671475560 487588512 /nfs/dbraw/zinc/58/85/12/487588512.db2.gz QMVMURYDDOYLIW-JGVFFNPUSA-N 1 2 209.236 0.987 20 0 BCADLO CCCn1nccc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000668271619 487599794 /nfs/dbraw/zinc/59/97/94/487599794.db2.gz KBDGOIYNAHDFRO-UHFFFAOYSA-N 1 2 236.319 0.600 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1[nH]cc[nH+]1 ZINC000308963037 487601084 /nfs/dbraw/zinc/60/10/84/487601084.db2.gz KPSLUEHQORCXKS-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCOCC[C@H]1C ZINC000374992068 167316661 /nfs/dbraw/zinc/31/66/61/167316661.db2.gz UYPHKIJDIAXMRL-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCOCC[C@H]1C ZINC000374992068 167316665 /nfs/dbraw/zinc/31/66/65/167316665.db2.gz UYPHKIJDIAXMRL-LLVKDONJSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000230076492 167318694 /nfs/dbraw/zinc/31/86/94/167318694.db2.gz VUXLNHRGMDKQFJ-UHFFFAOYSA-N 1 2 202.279 0.706 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](O)C1 ZINC000674719263 487608549 /nfs/dbraw/zinc/60/85/49/487608549.db2.gz UKIDMOFTVPBKQB-JTQLQIEISA-N 1 2 223.276 0.257 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC[C@H](C)O)n1 ZINC000653887942 487608836 /nfs/dbraw/zinc/60/88/36/487608836.db2.gz CBYJFEHSRCOPCA-QMMMGPOBSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1noc(C[N@H+](C)CCC[C@H](C)O)n1 ZINC000653887942 487608839 /nfs/dbraw/zinc/60/88/39/487608839.db2.gz CBYJFEHSRCOPCA-QMMMGPOBSA-N 1 2 213.281 0.971 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1ncnn1C(C)C ZINC000218076494 409648635 /nfs/dbraw/zinc/64/86/35/409648635.db2.gz QBHIEVVJXDQMLV-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000660733149 409678091 /nfs/dbraw/zinc/67/80/91/409678091.db2.gz MFFJIJPJYJLXRO-GHMZBOCLSA-N 1 2 247.360 0.409 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000660735555 409679313 /nfs/dbraw/zinc/67/93/13/409679313.db2.gz LDFLEGBWYOGELB-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000660735555 409679326 /nfs/dbraw/zinc/67/93/26/409679326.db2.gz LDFLEGBWYOGELB-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1O ZINC000660737700 409683769 /nfs/dbraw/zinc/68/37/69/409683769.db2.gz YOJWAWGQORIDPY-GHMZBOCLSA-N 1 2 226.276 0.483 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1O ZINC000660737700 409683775 /nfs/dbraw/zinc/68/37/75/409683775.db2.gz YOJWAWGQORIDPY-GHMZBOCLSA-N 1 2 226.276 0.483 20 0 BCADLO OC1([C@@H]2CCCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC000660768465 409727907 /nfs/dbraw/zinc/72/79/07/409727907.db2.gz QKGMPJLOMRRIIQ-NSHDSACASA-N 1 2 236.319 0.727 20 0 BCADLO OC1([C@@H]2CCCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC000660768465 409727913 /nfs/dbraw/zinc/72/79/13/409727913.db2.gz QKGMPJLOMRRIIQ-NSHDSACASA-N 1 2 236.319 0.727 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660780644 409737019 /nfs/dbraw/zinc/73/70/19/409737019.db2.gz OBJNSPSRVFERLX-KOLCDFICSA-N 1 2 222.292 0.458 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660780644 409737025 /nfs/dbraw/zinc/73/70/25/409737025.db2.gz OBJNSPSRVFERLX-KOLCDFICSA-N 1 2 222.292 0.458 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2ccn(C)n2)C1=O ZINC000660780663 409739567 /nfs/dbraw/zinc/73/95/67/409739567.db2.gz OIRUHDBNGJIYGU-SCZZXKLOSA-N 1 2 238.291 0.233 20 0 BCADLO COCC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000655252801 409754379 /nfs/dbraw/zinc/75/43/79/409754379.db2.gz YBSPLTZZLNQNQZ-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO CC[C@H]([NH2+]C)C(=O)NCCCc1cn[nH]c1C ZINC000662433508 409714053 /nfs/dbraw/zinc/71/40/53/409714053.db2.gz IGIRIKZEXUUDAV-NSHDSACASA-N 1 2 238.335 0.765 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1COC(C)(C)C1 ZINC000660843191 409829456 /nfs/dbraw/zinc/82/94/56/409829456.db2.gz FMNAXXTVFNQCCE-ZETCQYMHSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1COC(C)(C)C1 ZINC000660843191 409829462 /nfs/dbraw/zinc/82/94/62/409829462.db2.gz FMNAXXTVFNQCCE-ZETCQYMHSA-N 1 2 227.264 0.775 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H]2C[C@H]2C1 ZINC000660819434 409787439 /nfs/dbraw/zinc/78/74/39/409787439.db2.gz HSRCXQYZLKUKMI-QWRGUYRKSA-N 1 2 234.303 0.935 20 0 BCADLO CN(CC1(O)CCC1)c1[nH+]cnc2c1cnn2C ZINC000680530363 487612676 /nfs/dbraw/zinc/61/26/76/487612676.db2.gz UHGHXLQGQSQXQL-UHFFFAOYSA-N 1 2 247.302 0.715 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@H](O)C1 ZINC000663241572 410086165 /nfs/dbraw/zinc/08/61/65/410086165.db2.gz HZCQYMDUIDTGHG-OPRDCNLKSA-N 1 2 238.291 0.094 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](CCF)C1)N1CCC1 ZINC000626001128 410249056 /nfs/dbraw/zinc/24/90/56/410249056.db2.gz IUARQKUJJPDYTR-SNVBAGLBSA-N 1 2 230.283 0.279 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](CCF)C1)N1CCC1 ZINC000626001128 410249069 /nfs/dbraw/zinc/24/90/69/410249069.db2.gz IUARQKUJJPDYTR-SNVBAGLBSA-N 1 2 230.283 0.279 20 0 BCADLO CCc1nc(C[NH2+][C@@H](CO)C2CCC2)no1 ZINC000661153024 410307152 /nfs/dbraw/zinc/30/71/52/410307152.db2.gz FGOVEOPPHSNJFK-VIFPVBQESA-N 1 2 225.292 0.883 20 0 BCADLO CNS(=O)(=O)CCCNc1cc(C)[nH+]cn1 ZINC000631481014 410575116 /nfs/dbraw/zinc/57/51/16/410575116.db2.gz VKVMGKVXKVBSHA-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO CN(C)c1cc[nH+]cc1C(=O)NCc1c[nH]nn1 ZINC000680583234 487618019 /nfs/dbraw/zinc/61/80/19/487618019.db2.gz OTXVJXLFFKUCHK-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO CC(C)(C)OCC(=O)NCc1[nH]cc[nH+]1 ZINC000158189368 166677313 /nfs/dbraw/zinc/67/73/13/166677313.db2.gz CYYUUZGQJZTXQW-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO Cn1ncc(C2CC2)c1C(=O)N1CC[NH+](C)CC1 ZINC000665059488 410684200 /nfs/dbraw/zinc/68/42/00/410684200.db2.gz PGMLVMKPSNEJMD-UHFFFAOYSA-N 1 2 248.330 0.685 20 0 BCADLO CC(C)CNC(=O)COCc1[nH]cc[nH+]1 ZINC000123723324 166985286 /nfs/dbraw/zinc/98/52/86/166985286.db2.gz ZXZZIVFRWMAIED-UHFFFAOYSA-N 1 2 211.265 0.699 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000120370563 167025263 /nfs/dbraw/zinc/02/52/63/167025263.db2.gz BFQWWUMIKNGZNG-LBPRGKRZSA-N 1 2 248.330 0.777 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000120370563 167025265 /nfs/dbraw/zinc/02/52/65/167025265.db2.gz BFQWWUMIKNGZNG-LBPRGKRZSA-N 1 2 248.330 0.777 20 0 BCADLO CC(C)N1CC[C@H]([NH2+]Cc2ncc[nH]2)C1=O ZINC000114774994 167025717 /nfs/dbraw/zinc/02/57/17/167025717.db2.gz XGFVSRKEMDIJMF-VIFPVBQESA-N 1 2 222.292 0.509 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305759292 167049484 /nfs/dbraw/zinc/04/94/84/167049484.db2.gz CRDISPWSCBHTSB-SSDOTTSWSA-N 1 2 242.241 0.366 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305759292 167049487 /nfs/dbraw/zinc/04/94/87/167049487.db2.gz CRDISPWSCBHTSB-SSDOTTSWSA-N 1 2 242.241 0.366 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCc2cncnc2C1 ZINC000332717359 167054405 /nfs/dbraw/zinc/05/44/05/167054405.db2.gz QOSHKRRCPUFIRT-UHFFFAOYSA-N 1 2 234.303 0.359 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCc2cncnc2C1 ZINC000332717359 167054409 /nfs/dbraw/zinc/05/44/09/167054409.db2.gz QOSHKRRCPUFIRT-UHFFFAOYSA-N 1 2 234.303 0.359 20 0 BCADLO CC(C)NC(=O)CNc1nc[nH+]c(N)c1Cl ZINC000227843697 167062350 /nfs/dbraw/zinc/06/23/50/167062350.db2.gz RBJYXEYNXHBWBE-UHFFFAOYSA-N 1 2 243.698 0.649 20 0 BCADLO CC(C)NC(=O)CNc1[nH+]cnc(N)c1Cl ZINC000227843697 167062352 /nfs/dbraw/zinc/06/23/52/167062352.db2.gz RBJYXEYNXHBWBE-UHFFFAOYSA-N 1 2 243.698 0.649 20 0 BCADLO CO[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396907884 410903090 /nfs/dbraw/zinc/90/30/90/410903090.db2.gz LGDXENVFVXJPDC-ZETCQYMHSA-N 1 2 209.249 0.329 20 0 BCADLO CO[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396907884 410903098 /nfs/dbraw/zinc/90/30/98/410903098.db2.gz LGDXENVFVXJPDC-ZETCQYMHSA-N 1 2 209.249 0.329 20 0 BCADLO CC(C)OCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396915639 410909008 /nfs/dbraw/zinc/90/90/08/410909008.db2.gz PDBPRJLZYSIVNI-UHFFFAOYSA-N 1 2 223.276 0.719 20 0 BCADLO CC(C)OCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396915639 410909010 /nfs/dbraw/zinc/90/90/10/410909010.db2.gz PDBPRJLZYSIVNI-UHFFFAOYSA-N 1 2 223.276 0.719 20 0 BCADLO CC(C)OCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000308976156 167244412 /nfs/dbraw/zinc/24/44/12/167244412.db2.gz GRHUTGVVTWDABD-SECBINFHSA-N 1 2 212.297 0.891 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000372160982 167272195 /nfs/dbraw/zinc/27/21/95/167272195.db2.gz RMJICBNRJHNGKY-GHMZBOCLSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000372160982 167272198 /nfs/dbraw/zinc/27/21/98/167272198.db2.gz RMJICBNRJHNGKY-GHMZBOCLSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OCc1nc([C@@H](C)[NH2+]CCO)no1 ZINC000309310911 167272749 /nfs/dbraw/zinc/27/27/49/167272749.db2.gz BVTZLNRNGAALIR-MRVPVSSYSA-N 1 2 229.280 0.638 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CCOC[C@H]1CO ZINC000397641044 410930645 /nfs/dbraw/zinc/93/06/45/410930645.db2.gz OXTMFBDVUXXOTB-CYBMUJFWSA-N 1 2 236.315 0.626 20 0 BCADLO Cc1cnccc1CC[N@H+]1CCOC[C@H]1CO ZINC000397641044 410930648 /nfs/dbraw/zinc/93/06/48/410930648.db2.gz OXTMFBDVUXXOTB-CYBMUJFWSA-N 1 2 236.315 0.626 20 0 BCADLO CCn1ccc(CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000651364752 410953481 /nfs/dbraw/zinc/95/34/81/410953481.db2.gz KHJNWNROGFBWHX-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCn1ccc(CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000651364752 410953491 /nfs/dbraw/zinc/95/34/91/410953491.db2.gz KHJNWNROGFBWHX-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCc1cc(NC[C@@H]2CC(=O)N(CC)C2)nc[nH+]1 ZINC000651422071 411009842 /nfs/dbraw/zinc/00/98/42/411009842.db2.gz LMNIBNJOFFTNKC-JTQLQIEISA-N 1 2 248.330 0.741 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCOC[C@H]2CO)n1 ZINC000399703265 411059047 /nfs/dbraw/zinc/05/90/47/411059047.db2.gz JHBAGQZMQCPCEC-CYBMUJFWSA-N 1 2 236.315 0.626 20 0 BCADLO Cc1cccc(CC[N@H+]2CCOC[C@H]2CO)n1 ZINC000399703265 411059053 /nfs/dbraw/zinc/05/90/53/411059053.db2.gz JHBAGQZMQCPCEC-CYBMUJFWSA-N 1 2 236.315 0.626 20 0 BCADLO CCC(=O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651612758 411130711 /nfs/dbraw/zinc/13/07/11/411130711.db2.gz BEBFUQDPMHSCLP-UHFFFAOYSA-N 1 2 249.314 0.857 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NC(C)C)on1 ZINC000044991813 411142993 /nfs/dbraw/zinc/14/29/93/411142993.db2.gz OBIKTDKFEPOCLI-UHFFFAOYSA-N 1 2 211.265 0.597 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccc3c2CCC3)n1 ZINC000651788868 411143753 /nfs/dbraw/zinc/14/37/53/411143753.db2.gz SHQOWUNWWFKVED-UHFFFAOYSA-N 1 2 243.314 0.989 20 0 BCADLO COC[C@@H](CC(C)(C)C)[NH2+]Cc1nnn(C)n1 ZINC000651788959 411143857 /nfs/dbraw/zinc/14/38/57/411143857.db2.gz VYDNWMTZQGRSGW-SECBINFHSA-N 1 2 241.339 0.751 20 0 BCADLO CCn1ccnc1[C@H](C)[NH2+]C1CN(C(C)=O)C1 ZINC000655781212 411156752 /nfs/dbraw/zinc/15/67/52/411156752.db2.gz XBBKLYVKJYGTQH-VIFPVBQESA-N 1 2 236.319 0.784 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652039491 411091115 /nfs/dbraw/zinc/09/11/15/411091115.db2.gz HFDBEWUDYQQIEB-LBPRGKRZSA-N 1 2 239.319 0.739 20 0 BCADLO CC(C)c1nc(NCCNC(N)=O)cc[nH+]1 ZINC000301408013 167688102 /nfs/dbraw/zinc/68/81/02/167688102.db2.gz WFOOXSOCNKQXQR-UHFFFAOYSA-N 1 2 223.280 0.680 20 0 BCADLO COc1cc(C)[nH+]c(CN(CCO)CCO)c1 ZINC000214266011 411119699 /nfs/dbraw/zinc/11/96/99/411119699.db2.gz GRLZUGXBIHTAPR-UHFFFAOYSA-N 1 2 240.303 0.185 20 0 BCADLO CC1(C[N@@H+]2CCn3nncc3C2)COC1 ZINC000653794262 411180652 /nfs/dbraw/zinc/18/06/52/411180652.db2.gz NHXMTSBIFRLVLP-UHFFFAOYSA-N 1 2 208.265 0.130 20 0 BCADLO CC1(C[N@H+]2CCn3nncc3C2)COC1 ZINC000653794262 411180655 /nfs/dbraw/zinc/18/06/55/411180655.db2.gz NHXMTSBIFRLVLP-UHFFFAOYSA-N 1 2 208.265 0.130 20 0 BCADLO CC1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000123690932 411182528 /nfs/dbraw/zinc/18/25/28/411182528.db2.gz LDALMISHJNEJJN-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO CC1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000123690932 411182530 /nfs/dbraw/zinc/18/25/30/411182530.db2.gz LDALMISHJNEJJN-LLVKDONJSA-N 1 2 238.331 0.766 20 0 BCADLO COCC1(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000401268400 411187131 /nfs/dbraw/zinc/18/71/31/411187131.db2.gz KNFGJCRSADQVPW-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCOC1 ZINC000656149616 411187266 /nfs/dbraw/zinc/18/72/66/411187266.db2.gz FDMJPBBRVPDRGV-ZCFIWIBFSA-N 1 2 234.263 0.146 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@]1(O)CCOC1 ZINC000656151145 411187546 /nfs/dbraw/zinc/18/75/46/411187546.db2.gz BVNGIXZJWBQNND-NSHDSACASA-N 1 2 239.275 0.357 20 0 BCADLO CC[C@H](CO)Nc1nc[nH+]c(C)c1OC ZINC000656154853 411188121 /nfs/dbraw/zinc/18/81/21/411188121.db2.gz YPSBQGNRQZIPFR-MRVPVSSYSA-N 1 2 211.265 0.976 20 0 BCADLO CC[C@](C)(O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155137 411189695 /nfs/dbraw/zinc/18/96/95/411189695.db2.gz JUFICVXLSMXDEH-NSHDSACASA-N 1 2 241.339 0.679 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000656184817 411195627 /nfs/dbraw/zinc/19/56/27/411195627.db2.gz QAXOXWVIFJERHZ-OCAPTIKFSA-N 1 2 236.275 0.150 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H]2COC[C@@H]2C1 ZINC000656184817 411195632 /nfs/dbraw/zinc/19/56/32/411195632.db2.gz QAXOXWVIFJERHZ-OCAPTIKFSA-N 1 2 236.275 0.150 20 0 BCADLO Cc1ccnc(C[NH2+][C@]2(C(N)=O)CCOC2)c1 ZINC000653847133 411199281 /nfs/dbraw/zinc/19/92/81/411199281.db2.gz SBQOBMLOTIUYGD-GFCCVEGCSA-N 1 2 235.287 0.124 20 0 BCADLO C[NH+](C)Cc1nc(COC[C@H]2CCCO2)no1 ZINC000647722904 411245259 /nfs/dbraw/zinc/24/52/59/411245259.db2.gz NTRSFVFNFAZWHK-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC(C)(C(N)=O)C1 ZINC000656203860 411207944 /nfs/dbraw/zinc/20/79/44/411207944.db2.gz VBYWXQDSDQZMKQ-UHFFFAOYSA-N 1 2 236.275 0.105 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](C(N)=O)C1 ZINC000656203028 411208013 /nfs/dbraw/zinc/20/80/13/411208013.db2.gz DNPQZVKJZYCLGC-OCAPTIKFSA-N 1 2 236.275 0.469 20 0 BCADLO Cc1noc(CN(C)Cc2cc[nH+]c(N)c2)n1 ZINC000653888914 411209749 /nfs/dbraw/zinc/20/97/49/411209749.db2.gz KIVVRSUBKLVJOS-UHFFFAOYSA-N 1 2 233.275 0.987 20 0 BCADLO CCc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653896985 411214960 /nfs/dbraw/zinc/21/49/60/411214960.db2.gz GLBMBTYMUNWIJG-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653896985 411214962 /nfs/dbraw/zinc/21/49/62/411214962.db2.gz GLBMBTYMUNWIJG-MRVPVSSYSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@H](O)C[N@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000653901955 411216102 /nfs/dbraw/zinc/21/61/02/411216102.db2.gz HDXJCEXHFIWYIU-QMMMGPOBSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000653901955 411216104 /nfs/dbraw/zinc/21/61/04/411216104.db2.gz HDXJCEXHFIWYIU-QMMMGPOBSA-N 1 2 240.307 0.481 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCn2nncc2C1 ZINC000656267986 411222525 /nfs/dbraw/zinc/22/25/25/411222525.db2.gz PZJDSPZJFUSVHA-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCn2nncc2C1 ZINC000656267986 411222527 /nfs/dbraw/zinc/22/25/27/411222527.db2.gz PZJDSPZJFUSVHA-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655683214 411223630 /nfs/dbraw/zinc/22/36/30/411223630.db2.gz PUIBZZYMRDWCJB-SNVBAGLBSA-N 1 2 236.319 0.832 20 0 BCADLO CCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660100442 411231147 /nfs/dbraw/zinc/23/11/47/411231147.db2.gz LTOGDHSWZYEJRB-QMMMGPOBSA-N 1 2 231.321 0.811 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCC(C)(C)O)c1 ZINC000596111107 411166644 /nfs/dbraw/zinc/16/66/44/411166644.db2.gz XPJOCJXPEMECLZ-UHFFFAOYSA-N 1 2 238.287 0.980 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872648 411167193 /nfs/dbraw/zinc/16/71/93/411167193.db2.gz XLJUICZQLXTRAR-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2CCOC2(C)C)n1 ZINC000658158310 411271009 /nfs/dbraw/zinc/27/10/09/411271009.db2.gz XWUJEAMFTOVIFF-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CCOC2(C)C)[nH]1 ZINC000658158310 411271010 /nfs/dbraw/zinc/27/10/10/411271010.db2.gz XWUJEAMFTOVIFF-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@H](C)OC)n1 ZINC000658159524 411272299 /nfs/dbraw/zinc/27/22/99/411272299.db2.gz RGRQKXDVRDTXSD-YUMQZZPRSA-N 1 2 228.296 0.464 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)[C@H](C)OC)[nH]1 ZINC000658159524 411272303 /nfs/dbraw/zinc/27/23/03/411272303.db2.gz RGRQKXDVRDTXSD-YUMQZZPRSA-N 1 2 228.296 0.464 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@@H](C)OC)n1 ZINC000658159521 411272741 /nfs/dbraw/zinc/27/27/41/411272741.db2.gz RGRQKXDVRDTXSD-JGVFFNPUSA-N 1 2 228.296 0.464 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)[C@@H](C)OC)[nH]1 ZINC000658159521 411272745 /nfs/dbraw/zinc/27/27/45/411272745.db2.gz RGRQKXDVRDTXSD-JGVFFNPUSA-N 1 2 228.296 0.464 20 0 BCADLO Cc1nc(NC[C@@H]2CCOC[C@H]2C)nc(N)[nH+]1 ZINC000631277254 411274108 /nfs/dbraw/zinc/27/41/08/411274108.db2.gz XSEZDVXTMDXZLN-APPZFPTMSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCOC[C@H]2C)[nH+]1 ZINC000631277254 411274114 /nfs/dbraw/zinc/27/41/14/411274114.db2.gz XSEZDVXTMDXZLN-APPZFPTMSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(NC[C@H]2CCCC2(F)F)nc(N)[nH+]1 ZINC000391000355 411274258 /nfs/dbraw/zinc/27/42/58/411274258.db2.gz UFISZYPPDIZOSJ-SSDOTTSWSA-N 1 2 243.261 1.031 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCC2(F)F)[nH+]1 ZINC000391000355 411274263 /nfs/dbraw/zinc/27/42/63/411274263.db2.gz UFISZYPPDIZOSJ-SSDOTTSWSA-N 1 2 243.261 1.031 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)N=c1cccn[nH]1 ZINC000652678314 411327999 /nfs/dbraw/zinc/32/79/99/411327999.db2.gz IEXYKXKXGRLXFA-JTQLQIEISA-N 1 2 249.318 0.456 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)N=c1cccn[nH]1 ZINC000652678314 411328003 /nfs/dbraw/zinc/32/80/03/411328003.db2.gz IEXYKXKXGRLXFA-JTQLQIEISA-N 1 2 249.318 0.456 20 0 BCADLO CC1(Cn2cc(Cn3cc[nH+]c3)nn2)COC1 ZINC000656453748 411275954 /nfs/dbraw/zinc/27/59/54/411275954.db2.gz USVZPOQTNIEPHF-UHFFFAOYSA-N 1 2 233.275 0.559 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC23CCCC3)C1 ZINC000652574921 411279467 /nfs/dbraw/zinc/27/94/67/411279467.db2.gz GGJKSOLJNVTDFC-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC23CCCC3)C1 ZINC000652574921 411279471 /nfs/dbraw/zinc/27/94/71/411279471.db2.gz GGJKSOLJNVTDFC-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO Cc1nc(N2CCC[C@@H]2[C@H]2CCCO2)nc(N)[nH+]1 ZINC000631266460 411283236 /nfs/dbraw/zinc/28/32/36/411283236.db2.gz JRKZQCAPOZZDLX-NXEZZACHSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2[C@H]2CCCO2)[nH+]1 ZINC000631266460 411283241 /nfs/dbraw/zinc/28/32/41/411283241.db2.gz JRKZQCAPOZZDLX-NXEZZACHSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)nc1 ZINC000661723037 411290294 /nfs/dbraw/zinc/29/02/94/411290294.db2.gz RPQHQOZWZUVWKM-CMPLNLGQSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)nc1 ZINC000661723037 411290296 /nfs/dbraw/zinc/29/02/96/411290296.db2.gz RPQHQOZWZUVWKM-CMPLNLGQSA-N 1 2 219.288 0.742 20 0 BCADLO CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000656542397 411295045 /nfs/dbraw/zinc/29/50/45/411295045.db2.gz GFCBJDSWGJQKQT-UWVGGRQHSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000656542397 411295047 /nfs/dbraw/zinc/29/50/47/411295047.db2.gz GFCBJDSWGJQKQT-UWVGGRQHSA-N 1 2 229.324 0.415 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000661743311 411299936 /nfs/dbraw/zinc/29/99/36/411299936.db2.gz FZTZGCWBRQFLPE-LLVKDONJSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000661743311 411299939 /nfs/dbraw/zinc/29/99/39/411299939.db2.gz FZTZGCWBRQFLPE-LLVKDONJSA-N 1 2 224.308 0.672 20 0 BCADLO COc1nc(C)cc(NCc2[nH+]ccn2C)n1 ZINC000354579356 411300548 /nfs/dbraw/zinc/30/05/48/411300548.db2.gz OQYYDTNXSAXDMJ-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BCADLO Cn1cc(C[N@H+](C)CCC2(O)CCC2)nn1 ZINC000661744480 411302602 /nfs/dbraw/zinc/30/26/02/411302602.db2.gz UOFDLEGZLAKROA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1cc(C[N@@H+](C)CCC2(O)CCC2)nn1 ZINC000661744480 411302604 /nfs/dbraw/zinc/30/26/04/411302604.db2.gz UOFDLEGZLAKROA-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO CN(Cc1cn(C)nn1)Cc1cc[nH+]c(N)c1 ZINC000661746548 411303612 /nfs/dbraw/zinc/30/36/12/411303612.db2.gz ZHKZCVAYWRCVSJ-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO CCN1OC[C@H]([NH2+][C@@H](C)c2ccccn2)C1=O ZINC000660240803 411304022 /nfs/dbraw/zinc/30/40/22/411304022.db2.gz AAVOTXWAQLKGOA-ONGXEEELSA-N 1 2 235.287 0.895 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1=O ZINC000660240795 411304026 /nfs/dbraw/zinc/30/40/26/411304026.db2.gz AAVOTXWAQLKGOA-GXSJLCMTSA-N 1 2 235.287 0.895 20 0 BCADLO CC(C)=CCCN1CC[NH+](CCO)CC1 ZINC000659827761 411310818 /nfs/dbraw/zinc/31/08/18/411310818.db2.gz BMLKOGXDPSXREE-UHFFFAOYSA-N 1 2 212.337 0.953 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853831 411320197 /nfs/dbraw/zinc/32/01/97/411320197.db2.gz YDDBEIYEAFCEES-UTLUCORTSA-N 1 2 239.323 0.770 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853831 411320201 /nfs/dbraw/zinc/32/02/01/411320201.db2.gz YDDBEIYEAFCEES-UTLUCORTSA-N 1 2 239.323 0.770 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000660488346 411320840 /nfs/dbraw/zinc/32/08/40/411320840.db2.gz GGWARQYESWZLDL-KOLCDFICSA-N 1 2 230.283 0.014 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000660488346 411320842 /nfs/dbraw/zinc/32/08/42/411320842.db2.gz GGWARQYESWZLDL-KOLCDFICSA-N 1 2 230.283 0.014 20 0 BCADLO CCN1CC[C@H]([NH2+][C@@H](C)c2csnn2)C1=O ZINC000656676596 411321107 /nfs/dbraw/zinc/32/11/07/411321107.db2.gz OVLLIDNXUDSJNW-YUMQZZPRSA-N 1 2 240.332 0.810 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cscn1 ZINC000656682498 411321830 /nfs/dbraw/zinc/32/18/30/411321830.db2.gz SQQDMEIXYIDTFY-NKWVEPMBSA-N 1 2 211.290 0.682 20 0 BCADLO CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@@H](C)O ZINC000450786424 411321955 /nfs/dbraw/zinc/32/19/55/411321955.db2.gz AJVRYYWXULESSN-VXNVDRBHSA-N 1 2 239.323 0.817 20 0 BCADLO CC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@@H](C)O ZINC000450786424 411321959 /nfs/dbraw/zinc/32/19/59/411321959.db2.gz AJVRYYWXULESSN-VXNVDRBHSA-N 1 2 239.323 0.817 20 0 BCADLO CCC[C@@]1(CO)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660562401 411322056 /nfs/dbraw/zinc/32/20/56/411322056.db2.gz KKWXINDYMFOYFF-GFCCVEGCSA-N 1 2 238.335 0.832 20 0 BCADLO CCC[C@@]1(CO)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660562401 411322059 /nfs/dbraw/zinc/32/20/59/411322059.db2.gz KKWXINDYMFOYFF-GFCCVEGCSA-N 1 2 238.335 0.832 20 0 BCADLO O[C@@]1(C[NH+]2CC(OC(F)F)C2)CCCOC1 ZINC000656699671 411324170 /nfs/dbraw/zinc/32/41/70/411324170.db2.gz MQYNLIHENCLKSY-SNVBAGLBSA-N 1 2 237.246 0.451 20 0 BCADLO CC(C)(C(=O)N[C@@H](CO)CCF)c1c[nH]c[nH+]1 ZINC000652911225 411326286 /nfs/dbraw/zinc/32/62/86/411326286.db2.gz GSVSGTUOADMOOI-MRVPVSSYSA-N 1 2 243.282 0.524 20 0 BCADLO CC(C)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656442853 411251130 /nfs/dbraw/zinc/25/11/30/411251130.db2.gz GVNUIYWVZQRCSL-SNVBAGLBSA-N 1 2 210.281 0.595 20 0 BCADLO CCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000656443737 411252465 /nfs/dbraw/zinc/25/24/65/411252465.db2.gz AMTNQNJPRZPEPU-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000656443737 411252467 /nfs/dbraw/zinc/25/24/67/411252467.db2.gz AMTNQNJPRZPEPU-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H](CO)O1 ZINC000330364667 411258929 /nfs/dbraw/zinc/25/89/29/411258929.db2.gz UHRQEUDBHZPARI-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H](CO)O1 ZINC000330364667 411258934 /nfs/dbraw/zinc/25/89/34/411258934.db2.gz UHRQEUDBHZPARI-MWLCHTKSSA-N 1 2 237.303 0.245 20 0 BCADLO CC[C@H](C)N(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000659328818 411358513 /nfs/dbraw/zinc/35/85/13/411358513.db2.gz JCAJMNNGTISRJV-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO C[C@H](CCO)N(C)C(=O)Cc1c[nH+]cn1C ZINC000652958707 411363332 /nfs/dbraw/zinc/36/33/32/411363332.db2.gz PGNALTBKGAHAJO-SECBINFHSA-N 1 2 225.292 0.192 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000652958854 411363861 /nfs/dbraw/zinc/36/38/61/411363861.db2.gz SMEYCNGNZMWXFY-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000652958854 411363866 /nfs/dbraw/zinc/36/38/66/411363866.db2.gz SMEYCNGNZMWXFY-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)NC2(CCCC2)C1=O ZINC000123480757 411367872 /nfs/dbraw/zinc/36/78/72/411367872.db2.gz OBKMOBLJFZDGKO-UHFFFAOYSA-N 1 2 248.286 0.785 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661971797 411339454 /nfs/dbraw/zinc/33/94/54/411339454.db2.gz OLQSBXCWMPRFJD-IUCAKERBSA-N 1 2 222.292 0.977 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661971797 411339458 /nfs/dbraw/zinc/33/94/58/411339458.db2.gz OLQSBXCWMPRFJD-IUCAKERBSA-N 1 2 222.292 0.977 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1ncnn1CCF ZINC000332700095 168007695 /nfs/dbraw/zinc/00/76/95/168007695.db2.gz MEBVWQWDUJMIBL-SECBINFHSA-N 1 2 242.298 0.593 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1Cc1ncnn1CCF ZINC000332700095 168007697 /nfs/dbraw/zinc/00/76/97/168007697.db2.gz MEBVWQWDUJMIBL-SECBINFHSA-N 1 2 242.298 0.593 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288606556 168007755 /nfs/dbraw/zinc/00/77/55/168007755.db2.gz QOXDHUPDXNUGDK-RKDXNWHRSA-N 1 2 237.303 0.618 20 0 BCADLO Cc1cc(C[NH+]2CC(C)(C(N)=O)C2)nn1C ZINC000645957768 411345707 /nfs/dbraw/zinc/34/57/07/411345707.db2.gz FFHZMAHMXYRTFH-UHFFFAOYSA-N 1 2 222.292 0.036 20 0 BCADLO CC1(CNC(=O)NCCn2cc[nH+]c2)COC1 ZINC000353463326 168032689 /nfs/dbraw/zinc/03/26/89/168032689.db2.gz WCXAHPBMNHFJQJ-UHFFFAOYSA-N 1 2 238.291 0.219 20 0 BCADLO CC1(S(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC000331640294 168070984 /nfs/dbraw/zinc/07/09/84/168070984.db2.gz JJNVWPFFXWNTBX-UHFFFAOYSA-N 1 2 229.305 0.355 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000652962522 411374687 /nfs/dbraw/zinc/37/46/87/411374687.db2.gz NXFVNHMWIFGPIT-LLVKDONJSA-N 1 2 239.319 0.893 20 0 BCADLO COc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)on1 ZINC000659944840 411390054 /nfs/dbraw/zinc/39/00/54/411390054.db2.gz PGTXEPDGXHESOT-VIFPVBQESA-N 1 2 239.275 0.346 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)on1 ZINC000659944840 411390059 /nfs/dbraw/zinc/39/00/59/411390059.db2.gz PGTXEPDGXHESOT-VIFPVBQESA-N 1 2 239.275 0.346 20 0 BCADLO CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357803661 168223588 /nfs/dbraw/zinc/22/35/88/168223588.db2.gz OXIMUXMCXIYRKF-LLVKDONJSA-N 1 2 248.330 0.919 20 0 BCADLO CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357803661 168223590 /nfs/dbraw/zinc/22/35/90/168223590.db2.gz OXIMUXMCXIYRKF-LLVKDONJSA-N 1 2 248.330 0.919 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000659812143 411460520 /nfs/dbraw/zinc/46/05/20/411460520.db2.gz PGCIYVLODLNURQ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000659812143 411460523 /nfs/dbraw/zinc/46/05/23/411460523.db2.gz PGCIYVLODLNURQ-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO Cn1nccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657307269 411460845 /nfs/dbraw/zinc/46/08/45/411460845.db2.gz MBEKYKSQKAWNHN-UHFFFAOYSA-N 1 2 231.303 0.853 20 0 BCADLO CCOCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657312615 411460909 /nfs/dbraw/zinc/46/09/09/411460909.db2.gz AVPAELODXFRALG-UHFFFAOYSA-N 1 2 227.312 0.554 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(CO)CC2)C1 ZINC000654897371 411461080 /nfs/dbraw/zinc/46/10/80/411461080.db2.gz LLDZAKNDBUELEC-UHFFFAOYSA-N 1 2 226.320 0.217 20 0 BCADLO COC[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078251150 411399243 /nfs/dbraw/zinc/39/92/43/411399243.db2.gz CRCIGVOCZDSQFB-JTQLQIEISA-N 1 2 211.265 0.594 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000492457148 411399382 /nfs/dbraw/zinc/39/93/82/411399382.db2.gz ODTUCIGXLFYWTG-QMMMGPOBSA-N 1 2 214.240 0.625 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000492457148 411399384 /nfs/dbraw/zinc/39/93/84/411399384.db2.gz ODTUCIGXLFYWTG-QMMMGPOBSA-N 1 2 214.240 0.625 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186538582 411410458 /nfs/dbraw/zinc/41/04/58/411410458.db2.gz ZMDBXQBIMWUSSP-IUCAKERBSA-N 1 2 241.291 0.121 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186538582 411410459 /nfs/dbraw/zinc/41/04/59/411410459.db2.gz ZMDBXQBIMWUSSP-IUCAKERBSA-N 1 2 241.291 0.121 20 0 BCADLO C[C@@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657325953 411464555 /nfs/dbraw/zinc/46/45/55/411464555.db2.gz ANIIKFXTJJKHNN-MRVPVSSYSA-N 1 2 227.312 0.146 20 0 BCADLO COC(=O)C1(O)CC[NH+](C/C=C/Cl)CC1 ZINC000271398175 411429488 /nfs/dbraw/zinc/42/94/88/411429488.db2.gz NESHUZYLBFPPIQ-GORDUTHDSA-N 1 2 233.695 0.739 20 0 BCADLO CC[C@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657285805 411444936 /nfs/dbraw/zinc/44/49/36/411444936.db2.gz COGGETOFXWFUOY-MRVPVSSYSA-N 1 2 227.312 0.289 20 0 BCADLO Cc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)[nH]n1 ZINC000654787747 411446353 /nfs/dbraw/zinc/44/63/53/411446353.db2.gz FUMFSWAVPMUACB-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)n[nH]1 ZINC000654787747 411446355 /nfs/dbraw/zinc/44/63/55/411446355.db2.gz FUMFSWAVPMUACB-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1nn(Cc2[nH+]ccn2C(F)F)c(=O)o1 ZINC000657277949 411448955 /nfs/dbraw/zinc/44/89/55/411448955.db2.gz STAOABWATDVTCT-UHFFFAOYSA-N 1 2 230.174 0.785 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000653632909 411452258 /nfs/dbraw/zinc/45/22/58/411452258.db2.gz HKCCQRDTMRLBHR-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000653632909 411452260 /nfs/dbraw/zinc/45/22/60/411452260.db2.gz HKCCQRDTMRLBHR-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657292488 411453321 /nfs/dbraw/zinc/45/33/21/411453321.db2.gz LDZXIOLIVJNEPU-QMMMGPOBSA-N 1 2 210.281 0.332 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cc(OC)no1 ZINC000659822733 411464334 /nfs/dbraw/zinc/46/43/34/411464334.db2.gz VKULHXCHNVFUCW-UHFFFAOYSA-N 1 2 241.291 0.641 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cc(OC)no1 ZINC000659822733 411464335 /nfs/dbraw/zinc/46/43/35/411464335.db2.gz VKULHXCHNVFUCW-UHFFFAOYSA-N 1 2 241.291 0.641 20 0 BCADLO CCN1CC[C@H]([N@H+](C)CC(=O)NC(C)C)C1=O ZINC000659831310 411467829 /nfs/dbraw/zinc/46/78/29/411467829.db2.gz QDMDZTHKRSTXCL-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)CC(=O)NC(C)C)C1=O ZINC000659831310 411467832 /nfs/dbraw/zinc/46/78/32/411467832.db2.gz QDMDZTHKRSTXCL-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657337883 411472819 /nfs/dbraw/zinc/47/28/19/411472819.db2.gz KLZTWKFYDFFGJL-NSHDSACASA-N 1 2 249.318 0.371 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000655009074 411475880 /nfs/dbraw/zinc/47/58/80/411475880.db2.gz AGIMREQNDSNKDL-GXSJLCMTSA-N 1 2 249.314 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000655009074 411475883 /nfs/dbraw/zinc/47/58/83/411475883.db2.gz AGIMREQNDSNKDL-GXSJLCMTSA-N 1 2 249.314 0.572 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCC(=O)NC)[nH]1 ZINC000659874006 411485414 /nfs/dbraw/zinc/48/54/14/411485414.db2.gz VBLSXADIYOZGFG-MRVPVSSYSA-N 1 2 239.323 0.496 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCC(=O)NC)[nH]1 ZINC000659874006 411485415 /nfs/dbraw/zinc/48/54/15/411485415.db2.gz VBLSXADIYOZGFG-MRVPVSSYSA-N 1 2 239.323 0.496 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCCO[C@H](C)C2)C1=O ZINC000659873449 411485478 /nfs/dbraw/zinc/48/54/78/411485478.db2.gz ILBVDXFJEQESDI-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCCO[C@H](C)C2)C1=O ZINC000659873449 411485483 /nfs/dbraw/zinc/48/54/83/411485483.db2.gz ILBVDXFJEQESDI-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO COC[C@@H](C[NH2+]C(C)(C)c1noc(C)n1)OC ZINC000660067900 411533467 /nfs/dbraw/zinc/53/34/67/411533467.db2.gz NRKGUOGXXWMOFP-SECBINFHSA-N 1 2 243.307 0.864 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)nc(C)n1 ZINC000659878916 411488911 /nfs/dbraw/zinc/48/89/11/411488911.db2.gz RWRQKUOTGVUYMB-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)nc(C)n1 ZINC000659878916 411488914 /nfs/dbraw/zinc/48/89/14/411488914.db2.gz RWRQKUOTGVUYMB-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO C[C@@H](CF)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655080006 411491041 /nfs/dbraw/zinc/49/10/41/411491041.db2.gz YHXGOVBXXBKCCW-QMMMGPOBSA-N 1 2 202.273 0.802 20 0 BCADLO CCN1CC(=O)N[C@@H]1c1[nH+]cc(C)n1C ZINC000341401220 169950070 /nfs/dbraw/zinc/95/00/70/169950070.db2.gz YSTPXDHSJNPSSY-JTQLQIEISA-N 1 2 208.265 0.179 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cn1ccc(C)n1 ZINC000655126380 411499725 /nfs/dbraw/zinc/49/97/25/411499725.db2.gz LFSCSJAPCXINSI-UHFFFAOYSA-N 1 2 247.302 0.724 20 0 BCADLO C[C@@H](O)C(C)(C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657420410 411501886 /nfs/dbraw/zinc/50/18/86/411501886.db2.gz PELNWVFNYYCNGE-MRVPVSSYSA-N 1 2 241.339 0.677 20 0 BCADLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657431674 411504734 /nfs/dbraw/zinc/50/47/34/411504734.db2.gz IDYHBDUBXGFDSX-RKDXNWHRSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000659943445 411506322 /nfs/dbraw/zinc/50/63/22/411506322.db2.gz VAQGOXSVPUQQPT-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659943445 411506325 /nfs/dbraw/zinc/50/63/25/411506325.db2.gz VAQGOXSVPUQQPT-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657439679 411508086 /nfs/dbraw/zinc/50/80/86/411508086.db2.gz LSQWGACKQMOSJX-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H](CO)CCF)C1 ZINC000655166851 411509006 /nfs/dbraw/zinc/50/90/06/411509006.db2.gz ASJMMUOZNOCCRW-SECBINFHSA-N 1 2 232.299 0.165 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H](C)O)[nH]1 ZINC000659953762 411509792 /nfs/dbraw/zinc/50/97/92/411509792.db2.gz UNYQHLGMIQXECH-JGVFFNPUSA-N 1 2 212.297 0.741 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)O)[nH]1 ZINC000659953762 411509793 /nfs/dbraw/zinc/50/97/93/411509793.db2.gz UNYQHLGMIQXECH-JGVFFNPUSA-N 1 2 212.297 0.741 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)CO1 ZINC000657438669 411509954 /nfs/dbraw/zinc/50/99/54/411509954.db2.gz UGHGLHWGEDUSEX-HTQZYQBOSA-N 1 2 209.236 0.771 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC(O)(CC)CC2)C1=O ZINC000659957003 411510712 /nfs/dbraw/zinc/51/07/12/411510712.db2.gz DURCPMJVNBTITB-SNVBAGLBSA-N 1 2 242.319 0.386 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NCC(F)F)n1 ZINC000657453786 411514684 /nfs/dbraw/zinc/51/46/84/411514684.db2.gz GODIYWUKKWCGKZ-UHFFFAOYSA-N 1 2 232.234 0.189 20 0 BCADLO CCc1nnc(C[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000657475895 411525175 /nfs/dbraw/zinc/52/51/75/411525175.db2.gz HDNNCRNNWRSAJX-UHFFFAOYSA-N 1 2 206.253 0.380 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CCOC(C)(C)C)C1=O ZINC000660016178 411528656 /nfs/dbraw/zinc/52/86/56/411528656.db2.gz FLAOFIHJOBXKSQ-SNVBAGLBSA-N 1 2 244.335 0.896 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CCOC(C)(C)C)C1=O ZINC000660016178 411528659 /nfs/dbraw/zinc/52/86/59/411528659.db2.gz FLAOFIHJOBXKSQ-SNVBAGLBSA-N 1 2 244.335 0.896 20 0 BCADLO C[C@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657325960 411465215 /nfs/dbraw/zinc/46/52/15/411465215.db2.gz ANIIKFXTJJKHNN-QMMMGPOBSA-N 1 2 227.312 0.146 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C(C)C ZINC000336533539 170000971 /nfs/dbraw/zinc/00/09/71/170000971.db2.gz JVJWUPVBFSSFOG-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C(C)C ZINC000336533539 170000973 /nfs/dbraw/zinc/00/09/73/170000973.db2.gz JVJWUPVBFSSFOG-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CCN1CCOC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000368589172 170001657 /nfs/dbraw/zinc/00/16/57/170001657.db2.gz HXGQGDCCRRISBX-GFCCVEGCSA-N 1 2 249.314 0.471 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCCOC ZINC000370373608 170002097 /nfs/dbraw/zinc/00/20/97/170002097.db2.gz KBDWDXLRGHJNCP-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCCOC ZINC000370373608 170002098 /nfs/dbraw/zinc/00/20/98/170002098.db2.gz KBDWDXLRGHJNCP-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCCF ZINC000360819717 170002230 /nfs/dbraw/zinc/00/22/30/170002230.db2.gz RQMPVOLQFBPNOL-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCCF ZINC000360819717 170002231 /nfs/dbraw/zinc/00/22/31/170002231.db2.gz RQMPVOLQFBPNOL-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCOC2)C1 ZINC000654947841 411466603 /nfs/dbraw/zinc/46/66/03/411466603.db2.gz VTRRTJXSMMSFDK-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H](CO)CCF)n1 ZINC000657502520 411538469 /nfs/dbraw/zinc/53/84/69/411538469.db2.gz MANNWVWKCUIDDH-QMMMGPOBSA-N 1 2 245.302 0.238 20 0 BCADLO C[C@H]1COCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660111886 411538687 /nfs/dbraw/zinc/53/86/87/411538687.db2.gz GZCYLWLJUIZLMZ-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO C[C@H]1COCCC[N@H+]1CCc1cnn[nH]1 ZINC000660111886 411538688 /nfs/dbraw/zinc/53/86/88/411538688.db2.gz GZCYLWLJUIZLMZ-VIFPVBQESA-N 1 2 210.281 0.458 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)CCO)[C@@H](C)C1 ZINC000309042703 170034861 /nfs/dbraw/zinc/03/48/61/170034861.db2.gz MDQSBYCBLSNUOP-SRVKXCTJSA-N 1 2 214.353 0.935 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCN2CCC2)[C@@H](C)C1 ZINC000309026444 170035117 /nfs/dbraw/zinc/03/51/17/170035117.db2.gz AVSASNDOYQXZNG-RYUDHWBXSA-N 1 2 211.353 0.622 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ccn(C)n2)[C@@H](C)C1 ZINC000354680540 170035369 /nfs/dbraw/zinc/03/53/69/170035369.db2.gz SINRFOQUZKXQPZ-AAEUAGOBSA-N 1 2 236.363 0.892 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361405406 170058960 /nfs/dbraw/zinc/05/89/60/170058960.db2.gz XDWYGAVADCNYKV-MRVPVSSYSA-N 1 2 236.262 0.072 20 0 BCADLO CCNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361405406 170058961 /nfs/dbraw/zinc/05/89/61/170058961.db2.gz XDWYGAVADCNYKV-MRVPVSSYSA-N 1 2 236.262 0.072 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360555842 170059642 /nfs/dbraw/zinc/05/96/42/170059642.db2.gz CUTYQTKJQOURQA-ZJUUUORDSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360555842 170059644 /nfs/dbraw/zinc/05/96/44/170059644.db2.gz CUTYQTKJQOURQA-ZJUUUORDSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186373843 170059677 /nfs/dbraw/zinc/05/96/77/170059677.db2.gz LACDFWZYNAJUGP-LLVKDONJSA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186373843 170059680 /nfs/dbraw/zinc/05/96/80/170059680.db2.gz LACDFWZYNAJUGP-LLVKDONJSA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000336372074 170059941 /nfs/dbraw/zinc/05/99/41/170059941.db2.gz CKWJTXLPKXKGAC-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000336372074 170059942 /nfs/dbraw/zinc/05/99/42/170059942.db2.gz CKWJTXLPKXKGAC-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370031833 170060893 /nfs/dbraw/zinc/06/08/93/170060893.db2.gz HZSPJCKTXTZZTJ-GXSJLCMTSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370031833 170060895 /nfs/dbraw/zinc/06/08/95/170060895.db2.gz HZSPJCKTXTZZTJ-GXSJLCMTSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119139196 170062674 /nfs/dbraw/zinc/06/26/74/170062674.db2.gz OHUZBTBFRPCADB-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO CCNC(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000301997564 170066411 /nfs/dbraw/zinc/06/64/11/170066411.db2.gz HZOBXGGEWQRXAR-UHFFFAOYSA-N 1 2 220.276 0.902 20 0 BCADLO CCNC(=O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000130850156 170067574 /nfs/dbraw/zinc/06/75/74/170067574.db2.gz CUFHVPUMYQHACH-UHFFFAOYSA-N 1 2 245.286 0.760 20 0 BCADLO CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043607606 170074324 /nfs/dbraw/zinc/07/43/24/170074324.db2.gz QCPPMVYEMXIJCV-UHFFFAOYSA-N 1 2 248.330 0.929 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259424 170077045 /nfs/dbraw/zinc/07/70/45/170077045.db2.gz ADGVXHIZSMMZPS-HTQZYQBOSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000336259424 170077046 /nfs/dbraw/zinc/07/70/46/170077046.db2.gz ADGVXHIZSMMZPS-HTQZYQBOSA-N 1 2 231.271 0.264 20 0 BCADLO CCN1CC[C@@H](N(C)Cc2[nH+]ccn2C)C1=O ZINC000660138312 411544175 /nfs/dbraw/zinc/54/41/75/411544175.db2.gz TVVVPQVXVYZHBY-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000042225857 170095394 /nfs/dbraw/zinc/09/53/94/170095394.db2.gz IDKNXWMDRAMIFY-ZETCQYMHSA-N 1 2 244.726 0.688 20 0 BCADLO C[C@H](NC(=O)N1CCOCC1)c1[nH+]ccn1C ZINC000660099554 411537311 /nfs/dbraw/zinc/53/73/11/411537311.db2.gz HGGASGIFMHWXOY-VIFPVBQESA-N 1 2 238.291 0.523 20 0 BCADLO C[C@H](NS(=O)(=O)CCCF)c1[nH+]ccn1C ZINC000660103207 411537396 /nfs/dbraw/zinc/53/73/96/411537396.db2.gz ZGMWFDXUIVWIEO-QMMMGPOBSA-N 1 2 249.311 0.760 20 0 BCADLO CCNS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000368294166 170134193 /nfs/dbraw/zinc/13/41/93/170134193.db2.gz OVUOXQMCQUYVFT-QMMMGPOBSA-N 1 2 244.320 0.401 20 0 BCADLO CCNS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000293142406 170135500 /nfs/dbraw/zinc/13/55/00/170135500.db2.gz ZYEKJWLYOHEYNG-UHFFFAOYSA-N 1 2 245.304 0.034 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000660150277 411547091 /nfs/dbraw/zinc/54/70/91/411547091.db2.gz HTEUCDZZHHQRMJ-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000660150277 411547092 /nfs/dbraw/zinc/54/70/92/411547092.db2.gz HTEUCDZZHHQRMJ-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO CO[C@@H](C[NH2+]Cc1cn[nH]c1C)[C@@H]1CCOC1 ZINC000657543439 411547318 /nfs/dbraw/zinc/54/73/18/411547318.db2.gz LRWFPCLLXXFCBC-PWSUYJOCSA-N 1 2 239.319 0.859 20 0 BCADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2CO)co1 ZINC000660154323 411548181 /nfs/dbraw/zinc/54/81/81/411548181.db2.gz KIXFORYYZRSYRK-JTQLQIEISA-N 1 2 228.317 0.893 20 0 BCADLO Cc1nc(C[N@H+]2CCSC[C@@H]2CO)co1 ZINC000660154323 411548182 /nfs/dbraw/zinc/54/81/82/411548182.db2.gz KIXFORYYZRSYRK-JTQLQIEISA-N 1 2 228.317 0.893 20 0 BCADLO COc1cc(C[N@@H+]2CCSC[C@H]2CO)on1 ZINC000660158384 411548972 /nfs/dbraw/zinc/54/89/72/411548972.db2.gz XXQHNQPIAYOWBT-MRVPVSSYSA-N 1 2 244.316 0.593 20 0 BCADLO COc1cc(C[N@H+]2CCSC[C@H]2CO)on1 ZINC000660158384 411548973 /nfs/dbraw/zinc/54/89/73/411548973.db2.gz XXQHNQPIAYOWBT-MRVPVSSYSA-N 1 2 244.316 0.593 20 0 BCADLO CCOC(=O)CCC[N@H+](C)Cc1nncn1C ZINC000287122598 170201244 /nfs/dbraw/zinc/20/12/44/170201244.db2.gz ZFQPKHZXRWLNDY-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)Cc1nncn1C ZINC000287122598 170201245 /nfs/dbraw/zinc/20/12/45/170201245.db2.gz ZFQPKHZXRWLNDY-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000042338143 170214390 /nfs/dbraw/zinc/21/43/90/170214390.db2.gz VWGVIUTZVBLDNP-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000042338143 170214391 /nfs/dbraw/zinc/21/43/91/170214391.db2.gz VWGVIUTZVBLDNP-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+](CCCF)CCOC ZINC000361648620 170217129 /nfs/dbraw/zinc/21/71/29/170217129.db2.gz SWQLXRPRWCIPLW-UHFFFAOYSA-N 1 2 221.272 0.858 20 0 BCADLO CCOC(=O)C[N@@H+](CCCF)CCOC ZINC000361648620 170217130 /nfs/dbraw/zinc/21/71/30/170217130.db2.gz SWQLXRPRWCIPLW-UHFFFAOYSA-N 1 2 221.272 0.858 20 0 BCADLO CCOC(=O)CN(Cc1c[nH+]cn1C)C1CC1 ZINC000090233455 170218066 /nfs/dbraw/zinc/21/80/66/170218066.db2.gz XWQCMALEAQMMEX-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000342118907 170218133 /nfs/dbraw/zinc/21/81/33/170218133.db2.gz CXSIHQRRDCCCIF-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000342118907 170218134 /nfs/dbraw/zinc/21/81/34/170218134.db2.gz CXSIHQRRDCCCIF-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000126902017 170219091 /nfs/dbraw/zinc/21/90/91/170219091.db2.gz OKEWGESDKYFBRR-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO CCN1OC[C@H]([N@H+](C)C[C@@H]2CCCO2)C1=O ZINC000660312820 411567913 /nfs/dbraw/zinc/56/79/13/411567913.db2.gz UGIKZSSWVZKFQM-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)C[C@@H]2CCCO2)C1=O ZINC000660312820 411567914 /nfs/dbraw/zinc/56/79/14/411567914.db2.gz UGIKZSSWVZKFQM-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCOC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000374368842 170220792 /nfs/dbraw/zinc/22/07/92/170220792.db2.gz WHKYNFQYGMRHCA-VIFPVBQESA-N 1 2 201.266 0.518 20 0 BCADLO CCOC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000374368842 170220794 /nfs/dbraw/zinc/22/07/94/170220794.db2.gz WHKYNFQYGMRHCA-VIFPVBQESA-N 1 2 201.266 0.518 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368973091 170221145 /nfs/dbraw/zinc/22/11/45/170221145.db2.gz IXCBEHJSLVYUCP-IQJOONFLSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368973091 170221146 /nfs/dbraw/zinc/22/11/46/170221146.db2.gz IXCBEHJSLVYUCP-IQJOONFLSA-N 1 2 240.303 0.135 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336719162 170221327 /nfs/dbraw/zinc/22/13/27/170221327.db2.gz YWUDVTFSNKCYHD-VIFPVBQESA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336719162 170221329 /nfs/dbraw/zinc/22/13/29/170221329.db2.gz YWUDVTFSNKCYHD-VIFPVBQESA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462914 170226089 /nfs/dbraw/zinc/22/60/89/170226089.db2.gz IPVQOGMSORVUSI-BXKDBHETSA-N 1 2 240.303 0.196 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000365804347 170227186 /nfs/dbraw/zinc/22/71/86/170227186.db2.gz DSKZBUMNRDVWII-VIFPVBQESA-N 1 2 238.291 0.054 20 0 BCADLO CCOC(=O)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000339269779 170233177 /nfs/dbraw/zinc/23/31/77/170233177.db2.gz KIEGUGAERZMHHH-ZETCQYMHSA-N 1 2 239.275 0.790 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](CCO)C1CC1 ZINC000043638837 170246997 /nfs/dbraw/zinc/24/69/97/170246997.db2.gz QJTRQSOWEIPUTL-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](CCO)C1CC1 ZINC000043638837 170246999 /nfs/dbraw/zinc/24/69/99/170246999.db2.gz QJTRQSOWEIPUTL-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000043637907 170268780 /nfs/dbraw/zinc/26/87/80/170268780.db2.gz MCQAMLWEKWJJPK-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)[C@H]1CCNC1=O ZINC000340227172 170271603 /nfs/dbraw/zinc/27/16/03/170271603.db2.gz ZMKJJXQCYZYERY-IUCAKERBSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227172 170271604 /nfs/dbraw/zinc/27/16/04/170271604.db2.gz ZMKJJXQCYZYERY-IUCAKERBSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCOC)[C@H]1CCCOC1 ZINC000111322095 170277154 /nfs/dbraw/zinc/27/71/54/170277154.db2.gz LQUKISAFISPDQG-WDEREUQCSA-N 1 2 245.319 0.581 20 0 BCADLO CCOC(C[N@@H+]1CCNC(=O)[C@@H]1CC)OCC ZINC000104357655 170314769 /nfs/dbraw/zinc/31/47/69/170314769.db2.gz WPSRMTJQJGYTFX-JTQLQIEISA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(C[N@H+]1CCNC(=O)[C@@H]1CC)OCC ZINC000104357655 170314771 /nfs/dbraw/zinc/31/47/71/170314771.db2.gz WPSRMTJQJGYTFX-JTQLQIEISA-N 1 2 244.335 0.596 20 0 BCADLO CCOC1CC(C(=O)Nc2cc[nH+]cc2O)C1 ZINC000353427277 170321607 /nfs/dbraw/zinc/32/16/07/170321607.db2.gz BGXGWDQIIZIMBE-UHFFFAOYSA-N 1 2 236.271 0.963 20 0 BCADLO CCOC1CC(C(=O)NCc2[nH+]ccn2C)C1 ZINC000289078538 170322294 /nfs/dbraw/zinc/32/22/94/170322294.db2.gz LRVUGZSCUHNDQL-UHFFFAOYSA-N 1 2 237.303 0.851 20 0 BCADLO CCOC1CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000338829030 170337048 /nfs/dbraw/zinc/33/70/48/170337048.db2.gz JIWOCBMSJRTYQW-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO CCOC1CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000338829030 170337049 /nfs/dbraw/zinc/33/70/49/170337049.db2.gz JIWOCBMSJRTYQW-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ncn(C)n1 ZINC000660375052 411575206 /nfs/dbraw/zinc/57/52/06/411575206.db2.gz YWUXBYPRZAUVOP-YUMQZZPRSA-N 1 2 246.261 0.890 20 0 BCADLO CCOCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000361279049 170346908 /nfs/dbraw/zinc/34/69/08/170346908.db2.gz TVAOXPKKPBOYAC-MRVPVSSYSA-N 1 2 223.276 0.420 20 0 BCADLO CCOCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000361279049 170346911 /nfs/dbraw/zinc/34/69/11/170346911.db2.gz TVAOXPKKPBOYAC-MRVPVSSYSA-N 1 2 223.276 0.420 20 0 BCADLO CCOCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000361279050 170347295 /nfs/dbraw/zinc/34/72/95/170347295.db2.gz TVAOXPKKPBOYAC-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO CCOCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000361279050 170347296 /nfs/dbraw/zinc/34/72/96/170347296.db2.gz TVAOXPKKPBOYAC-QMMMGPOBSA-N 1 2 223.276 0.420 20 0 BCADLO CCOCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378110292 170359737 /nfs/dbraw/zinc/35/97/37/170359737.db2.gz REDHYGJNHNOBSD-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO CCOCCC(=O)NCc1[nH+]ccn1C ZINC000264341434 170361254 /nfs/dbraw/zinc/36/12/54/170361254.db2.gz VNQZTYNFONNWKK-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000660321029 411568488 /nfs/dbraw/zinc/56/84/88/411568488.db2.gz AXLRCKMFSXCPBM-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000660321029 411568489 /nfs/dbraw/zinc/56/84/89/411568489.db2.gz AXLRCKMFSXCPBM-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@H]1C[N@H+](CCc2c[nH]nn2)CCC1=O ZINC000660322987 411569141 /nfs/dbraw/zinc/56/91/41/411569141.db2.gz OVSNVVDFOKGHSR-QMMMGPOBSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@H]1C[N@@H+](CCc2c[nH]nn2)CCC1=O ZINC000660322987 411569144 /nfs/dbraw/zinc/56/91/44/411569144.db2.gz OVSNVVDFOKGHSR-QMMMGPOBSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)CCC1=O ZINC000660322987 411569145 /nfs/dbraw/zinc/56/91/45/411569145.db2.gz OVSNVVDFOKGHSR-QMMMGPOBSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)CCC1=O ZINC000660322987 411569146 /nfs/dbraw/zinc/56/91/46/411569146.db2.gz OVSNVVDFOKGHSR-QMMMGPOBSA-N 1 2 208.265 0.258 20 0 BCADLO CCOCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000336780127 170383112 /nfs/dbraw/zinc/38/31/12/170383112.db2.gz QNSZLVXHIAQINQ-LLVKDONJSA-N 1 2 231.292 0.335 20 0 BCADLO CCOCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284500899 170385733 /nfs/dbraw/zinc/38/57/33/170385733.db2.gz UZYKKXDQYZJKME-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000093316869 170388434 /nfs/dbraw/zinc/38/84/34/170388434.db2.gz HRLNOZKQVVPZOD-UHFFFAOYSA-N 1 2 241.291 0.890 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000093316869 170388436 /nfs/dbraw/zinc/38/84/36/170388436.db2.gz HRLNOZKQVVPZOD-UHFFFAOYSA-N 1 2 241.291 0.890 20 0 BCADLO OCC[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660330894 411570364 /nfs/dbraw/zinc/57/03/64/411570364.db2.gz NZPNYZZEONXVRJ-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO OCC[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660330894 411570366 /nfs/dbraw/zinc/57/03/66/411570366.db2.gz NZPNYZZEONXVRJ-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO CCOCC[N@H+](C)Cc1nnc(C)n1C ZINC000103557727 170391236 /nfs/dbraw/zinc/39/12/36/170391236.db2.gz ACPTXHWJNXXQNY-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO CCOCC[N@@H+](C)Cc1nnc(C)n1C ZINC000103557727 170391237 /nfs/dbraw/zinc/39/12/37/170391237.db2.gz ACPTXHWJNXXQNY-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO Cn1nnc(C[N@H+](C2CC2)C2(CO)CCC2)n1 ZINC000660770719 411623741 /nfs/dbraw/zinc/62/37/41/411623741.db2.gz IIKJDPBTELWLGO-UHFFFAOYSA-N 1 2 237.307 0.090 20 0 BCADLO Cn1nnc(C[N@@H+](C2CC2)C2(CO)CCC2)n1 ZINC000660770719 411623742 /nfs/dbraw/zinc/62/37/42/411623742.db2.gz IIKJDPBTELWLGO-UHFFFAOYSA-N 1 2 237.307 0.090 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@H](C)C1=O ZINC000663326868 411625393 /nfs/dbraw/zinc/62/53/93/411625393.db2.gz DPRGUVOYOKFIMR-RNFRBKRXSA-N 1 2 222.248 0.421 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)[C@@H]2CCCN2C1=O ZINC000663327953 411626517 /nfs/dbraw/zinc/62/65/17/411626517.db2.gz MVMIDFGUDQRTLX-BDAKNGLRSA-N 1 2 248.286 0.908 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@H](CF)C1=O ZINC000663328692 411626669 /nfs/dbraw/zinc/62/66/69/411626669.db2.gz SSVBSNWKRQUJGX-RNFRBKRXSA-N 1 2 240.238 0.371 20 0 BCADLO COC[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000571226639 411638221 /nfs/dbraw/zinc/63/82/21/411638221.db2.gz SONPJINLQWJKNI-SNVBAGLBSA-N 1 2 225.292 1.167 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000660810044 411641841 /nfs/dbraw/zinc/64/18/41/411641841.db2.gz BUUANRDVSJKQIR-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000660810044 411641844 /nfs/dbraw/zinc/64/18/44/411641844.db2.gz BUUANRDVSJKQIR-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000660813598 411645226 /nfs/dbraw/zinc/64/52/26/411645226.db2.gz WZELHIFRNXLCRD-SCZZXKLOSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000660813598 411645227 /nfs/dbraw/zinc/64/52/27/411645227.db2.gz WZELHIFRNXLCRD-SCZZXKLOSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000660377963 411576246 /nfs/dbraw/zinc/57/62/46/411576246.db2.gz HJJDMZFZPYJWRR-MWLCHTKSSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000660377963 411576247 /nfs/dbraw/zinc/57/62/47/411576247.db2.gz HJJDMZFZPYJWRR-MWLCHTKSSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@H+](CCc2cn[nH]n2)C[C@@H](C)O1 ZINC000660377963 411576248 /nfs/dbraw/zinc/57/62/48/411576248.db2.gz HJJDMZFZPYJWRR-MWLCHTKSSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@H]1C[N@@H+](CCc2cn[nH]n2)C[C@@H](C)O1 ZINC000660377963 411576249 /nfs/dbraw/zinc/57/62/49/411576249.db2.gz HJJDMZFZPYJWRR-MWLCHTKSSA-N 1 2 240.307 0.083 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660420971 411582911 /nfs/dbraw/zinc/58/29/11/411582911.db2.gz VIZIYPVSAFUVOA-RKDXNWHRSA-N 1 2 237.246 0.104 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660420971 411582912 /nfs/dbraw/zinc/58/29/12/411582912.db2.gz VIZIYPVSAFUVOA-RKDXNWHRSA-N 1 2 237.246 0.104 20 0 BCADLO O[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000657704725 411584106 /nfs/dbraw/zinc/58/41/06/411584106.db2.gz HYAPHULOKZZBPI-UWVGGRQHSA-N 1 2 207.277 0.803 20 0 BCADLO CCc1nocc1C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000660478578 411591175 /nfs/dbraw/zinc/59/11/75/411591175.db2.gz UROUEDFVKMIHJU-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+](CC)[C@@H]1CCNC1=O ZINC000660478578 411591176 /nfs/dbraw/zinc/59/11/76/411591176.db2.gz UROUEDFVKMIHJU-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO Cc1nc(C[N@H+](C)CCOCCO)c(C)o1 ZINC000660486544 411592775 /nfs/dbraw/zinc/59/27/75/411592775.db2.gz REBLEJHVJNPIFB-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO Cc1nc(C[N@@H+](C)CCOCCO)c(C)o1 ZINC000660486544 411592777 /nfs/dbraw/zinc/59/27/77/411592777.db2.gz REBLEJHVJNPIFB-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660490000 411593455 /nfs/dbraw/zinc/59/34/55/411593455.db2.gz UNHWVGLRBLMULO-BDAKNGLRSA-N 1 2 239.237 0.817 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660490000 411593456 /nfs/dbraw/zinc/59/34/56/411593456.db2.gz UNHWVGLRBLMULO-BDAKNGLRSA-N 1 2 239.237 0.817 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660496284 411594654 /nfs/dbraw/zinc/59/46/54/411594654.db2.gz NVVXEWRHIFOCIS-GFCCVEGCSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660496284 411594655 /nfs/dbraw/zinc/59/46/55/411594655.db2.gz NVVXEWRHIFOCIS-GFCCVEGCSA-N 1 2 236.319 0.850 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CCn2cncc2C1 ZINC000660581975 411603271 /nfs/dbraw/zinc/60/32/71/411603271.db2.gz MAJLYIOZJGQCTM-JTQLQIEISA-N 1 2 209.293 0.860 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCn2cncc2C1 ZINC000660581975 411603272 /nfs/dbraw/zinc/60/32/72/411603272.db2.gz MAJLYIOZJGQCTM-JTQLQIEISA-N 1 2 209.293 0.860 20 0 BCADLO C[C@H](O)CCCN1CCn2c[nH+]cc2C1 ZINC000660581975 411603273 /nfs/dbraw/zinc/60/32/73/411603273.db2.gz MAJLYIOZJGQCTM-JTQLQIEISA-N 1 2 209.293 0.860 20 0 BCADLO CC(C)[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000660589735 411604440 /nfs/dbraw/zinc/60/44/40/411604440.db2.gz KJJLKPZLTRFKLE-VIFPVBQESA-N 1 2 224.308 0.631 20 0 BCADLO CC(C)[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000660589735 411604442 /nfs/dbraw/zinc/60/44/42/411604442.db2.gz KJJLKPZLTRFKLE-VIFPVBQESA-N 1 2 224.308 0.631 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(OC)ns1 ZINC000660616246 411607819 /nfs/dbraw/zinc/60/78/19/411607819.db2.gz AWSCOFMKJPWHNR-UHFFFAOYSA-N 1 2 243.332 0.849 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(OC)ns1 ZINC000660616246 411607820 /nfs/dbraw/zinc/60/78/20/411607820.db2.gz AWSCOFMKJPWHNR-UHFFFAOYSA-N 1 2 243.332 0.849 20 0 BCADLO COC[C@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660668624 411615429 /nfs/dbraw/zinc/61/54/29/411615429.db2.gz HTSHSSUGDSRQBZ-LLVKDONJSA-N 1 2 224.308 0.706 20 0 BCADLO COC[C@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660668624 411615430 /nfs/dbraw/zinc/61/54/30/411615430.db2.gz HTSHSSUGDSRQBZ-LLVKDONJSA-N 1 2 224.308 0.706 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000660670640 411616255 /nfs/dbraw/zinc/61/62/55/411616255.db2.gz YWHUVVLHDNBYBG-JTQLQIEISA-N 1 2 238.287 0.745 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000660670640 411616256 /nfs/dbraw/zinc/61/62/56/411616256.db2.gz YWHUVVLHDNBYBG-JTQLQIEISA-N 1 2 238.287 0.745 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CC(C)(C)CO)C1=O ZINC000660670140 411616296 /nfs/dbraw/zinc/61/62/96/411616296.db2.gz FKZRGPXKCHQNES-SECBINFHSA-N 1 2 230.308 0.099 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CC(C)(C)CO)C1=O ZINC000660670140 411616297 /nfs/dbraw/zinc/61/62/97/411616297.db2.gz FKZRGPXKCHQNES-SECBINFHSA-N 1 2 230.308 0.099 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCOC)C1 ZINC000660728340 411619599 /nfs/dbraw/zinc/61/95/99/411619599.db2.gz PWGLGVQNKZKUHA-UHFFFAOYSA-N 1 2 221.322 0.142 20 0 BCADLO CC1(C)C[C@H](O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660738486 411620241 /nfs/dbraw/zinc/62/02/41/411620241.db2.gz QWHQAIFNRJWBDP-LLVKDONJSA-N 1 2 238.335 0.830 20 0 BCADLO CC1(C)C[C@H](O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660738486 411620242 /nfs/dbraw/zinc/62/02/42/411620242.db2.gz QWHQAIFNRJWBDP-LLVKDONJSA-N 1 2 238.335 0.830 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000660739713 411620431 /nfs/dbraw/zinc/62/04/31/411620431.db2.gz XTXJRVRGVSCMGQ-HTRCEHHLSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000660739713 411620432 /nfs/dbraw/zinc/62/04/32/411620432.db2.gz XTXJRVRGVSCMGQ-HTRCEHHLSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)nn1C ZINC000579730400 411622082 /nfs/dbraw/zinc/62/20/82/411622082.db2.gz UNESUIKYPKABRU-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)nn1C ZINC000579730400 411622084 /nfs/dbraw/zinc/62/20/84/411622084.db2.gz UNESUIKYPKABRU-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1cc(C)on1 ZINC000660767399 411622573 /nfs/dbraw/zinc/62/25/73/411622573.db2.gz RCPQRPQZJKXYKD-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)ncn1 ZINC000599827385 411646668 /nfs/dbraw/zinc/64/66/68/411646668.db2.gz FSQZFYSANJNZFG-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)ncn1 ZINC000599827385 411646671 /nfs/dbraw/zinc/64/66/71/411646671.db2.gz FSQZFYSANJNZFG-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCO[C@@H]1C[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000562533820 411714177 /nfs/dbraw/zinc/71/41/77/411714177.db2.gz ZNPWQRIWFIGYCT-RKDXNWHRSA-N 1 2 237.307 0.835 20 0 BCADLO CCO[C@@H]1C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000562533820 411714180 /nfs/dbraw/zinc/71/41/80/411714180.db2.gz ZNPWQRIWFIGYCT-RKDXNWHRSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1cc(NC[C@H](CO)c2cccnc2)nc[nH+]1 ZINC000340942706 411649991 /nfs/dbraw/zinc/64/99/91/411649991.db2.gz SNUWVKKFBKMQKF-GFCCVEGCSA-N 1 2 244.298 1.368 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000660833283 411650384 /nfs/dbraw/zinc/65/03/84/411650384.db2.gz MARHFPZSNZSRNH-VIFPVBQESA-N 1 2 240.332 0.557 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000660833283 411650388 /nfs/dbraw/zinc/65/03/88/411650388.db2.gz MARHFPZSNZSRNH-VIFPVBQESA-N 1 2 240.332 0.557 20 0 BCADLO Cc1cc(NC[C@H]2CNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000398420669 411652072 /nfs/dbraw/zinc/65/20/72/411652072.db2.gz VAIHYACBLNDAQJ-JTQLQIEISA-N 1 2 248.330 1.456 20 0 BCADLO CCOCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843506 411654232 /nfs/dbraw/zinc/65/42/32/411654232.db2.gz ZTNQTDOBONAAFR-UHFFFAOYSA-N 1 2 201.226 0.244 20 0 BCADLO CCOCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843506 411654236 /nfs/dbraw/zinc/65/42/36/411654236.db2.gz ZTNQTDOBONAAFR-UHFFFAOYSA-N 1 2 201.226 0.244 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660845227 411657197 /nfs/dbraw/zinc/65/71/97/411657197.db2.gz LYOYTMPZSLHYNC-UHFFFAOYSA-N 1 2 237.263 0.183 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660845227 411657204 /nfs/dbraw/zinc/65/72/04/411657204.db2.gz LYOYTMPZSLHYNC-UHFFFAOYSA-N 1 2 237.263 0.183 20 0 BCADLO COCc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000579514027 411658086 /nfs/dbraw/zinc/65/80/86/411658086.db2.gz QRINFCHGCSQMAX-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO CCOC(=O)CCNc1nc(C)[nH+]cc1C ZINC000566477538 411668040 /nfs/dbraw/zinc/66/80/40/411668040.db2.gz FEPWSJTVKFZKNF-UHFFFAOYSA-N 1 2 223.276 1.459 20 0 BCADLO CO[C@@H]1COCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000450697330 411670591 /nfs/dbraw/zinc/67/05/91/411670591.db2.gz UTBZBKDDVWQQOJ-WDEREUQCSA-N 1 2 237.303 1.248 20 0 BCADLO CO[C@@H]1COCC[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000450697327 411672293 /nfs/dbraw/zinc/67/22/93/411672293.db2.gz UTBZBKDDVWQQOJ-GHMZBOCLSA-N 1 2 237.303 1.248 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@H]1C[C@@H](O)C1 ZINC000624667470 411680624 /nfs/dbraw/zinc/68/06/24/411680624.db2.gz RKORLZIQNYRGMS-KYZUINATSA-N 1 2 223.276 0.976 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](CO)C(C)C ZINC000394048290 411681711 /nfs/dbraw/zinc/68/17/11/411681711.db2.gz YHQKRIKQXPTEDS-QMMMGPOBSA-N 1 2 240.307 0.744 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](CO)C(C)C ZINC000394048290 411681715 /nfs/dbraw/zinc/68/17/15/411681715.db2.gz YHQKRIKQXPTEDS-QMMMGPOBSA-N 1 2 240.307 0.744 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCOC(F)F ZINC000398278614 411681894 /nfs/dbraw/zinc/68/18/94/411681894.db2.gz CIFVLKUYDKAXBX-UHFFFAOYSA-N 1 2 248.233 1.109 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCOC(F)F ZINC000398278614 411681898 /nfs/dbraw/zinc/68/18/98/411681898.db2.gz CIFVLKUYDKAXBX-UHFFFAOYSA-N 1 2 248.233 1.109 20 0 BCADLO OCC(CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631131002 411687980 /nfs/dbraw/zinc/68/79/80/411687980.db2.gz PYNZNXKSVPQECN-UHFFFAOYSA-N 1 2 248.286 0.600 20 0 BCADLO OC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000447803016 411689276 /nfs/dbraw/zinc/68/92/76/411689276.db2.gz PMSQMURDGQBYMM-MNOVXSKESA-N 1 2 249.314 1.306 20 0 BCADLO C[C@@H](C(=O)NC1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000661085929 411696006 /nfs/dbraw/zinc/69/60/06/411696006.db2.gz RQYNUGLCVXTNIO-QMMMGPOBSA-N 1 2 222.292 0.509 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661083227 411696256 /nfs/dbraw/zinc/69/62/56/411696256.db2.gz BCNPYGGNWYLHEP-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661083227 411696257 /nfs/dbraw/zinc/69/62/57/411696257.db2.gz BCNPYGGNWYLHEP-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO c1cn2c([nH+]1)CN(c1nc3ccccn3n1)CC2 ZINC000663516617 411697437 /nfs/dbraw/zinc/69/74/37/411697437.db2.gz AINCTDHVOUUPJM-UHFFFAOYSA-N 1 2 240.270 0.946 20 0 BCADLO COc1cc(NC(=O)CCn2cc[nH+]c2)nn1C ZINC000547815923 411699167 /nfs/dbraw/zinc/69/91/67/411699167.db2.gz BHCOVGLIEHRVFE-UHFFFAOYSA-N 1 2 249.274 0.654 20 0 BCADLO c1cc2c(nc[nH+]c2NCc2nc[nH]n2)[nH]1 ZINC000336658128 411701549 /nfs/dbraw/zinc/70/15/49/411701549.db2.gz IMZHGPHWDMBUGB-UHFFFAOYSA-N 1 2 215.220 0.688 20 0 BCADLO c1cc2c(nc[nH+]c2NCc2nnc[nH]2)[nH]1 ZINC000336658128 411701554 /nfs/dbraw/zinc/70/15/54/411701554.db2.gz IMZHGPHWDMBUGB-UHFFFAOYSA-N 1 2 215.220 0.688 20 0 BCADLO c1cc2c(nc[nH+]c2NCCc2nc[nH]n2)[nH]1 ZINC000357149716 411701806 /nfs/dbraw/zinc/70/18/06/411701806.db2.gz QBPZFNJIIKXSIY-UHFFFAOYSA-N 1 2 229.247 0.731 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)NC1CC1 ZINC000573107526 411734620 /nfs/dbraw/zinc/73/46/20/411734620.db2.gz WVMNFBZHVYRAHF-UHFFFAOYSA-N 1 2 220.276 0.784 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)C1CC1 ZINC000568335229 411735147 /nfs/dbraw/zinc/73/51/47/411735147.db2.gz SXJWOJLYKMJPBZ-SNVBAGLBSA-N 1 2 207.277 1.276 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCn1cncn1 ZINC000575002386 411735788 /nfs/dbraw/zinc/73/57/88/411735788.db2.gz ILTMHCIECPBAJS-UHFFFAOYSA-N 1 2 218.264 0.797 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1ccncn1 ZINC000577865575 411738148 /nfs/dbraw/zinc/73/81/48/411738148.db2.gz GESRUYOGAXUZIR-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[S@](C)=O ZINC000580745861 411739408 /nfs/dbraw/zinc/73/94/08/411739408.db2.gz ZREKWOPXCHAKFI-ANRSDYALSA-N 1 2 227.333 1.272 20 0 BCADLO Cc1cncnc1NCC[N@H+]1CCOC[C@H]1C ZINC000641344462 411742366 /nfs/dbraw/zinc/74/23/66/411742366.db2.gz MAUKKDRZEFFSQU-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncnc1NCC[N@@H+]1CCOC[C@H]1C ZINC000641344462 411742372 /nfs/dbraw/zinc/74/23/72/411742372.db2.gz MAUKKDRZEFFSQU-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CSCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000591137275 411792227 /nfs/dbraw/zinc/79/22/27/411792227.db2.gz JVHRTXKLMDHFRD-MRVPVSSYSA-N 1 2 242.348 1.044 20 0 BCADLO CSCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000591137275 411792230 /nfs/dbraw/zinc/79/22/30/411792230.db2.gz JVHRTXKLMDHFRD-MRVPVSSYSA-N 1 2 242.348 1.044 20 0 BCADLO CC[C@H](C)[C@@H](O)CNc1nc[nH+]c(N)c1OC ZINC000571179187 411746813 /nfs/dbraw/zinc/74/68/13/411746813.db2.gz WVRMINVHCHGZDA-YUMQZZPRSA-N 1 2 240.307 0.886 20 0 BCADLO CC[C@H](C)[C@@H](O)CNc1[nH+]cnc(N)c1OC ZINC000571179187 411746816 /nfs/dbraw/zinc/74/68/16/411746816.db2.gz WVRMINVHCHGZDA-YUMQZZPRSA-N 1 2 240.307 0.886 20 0 BCADLO Cc1nc(NCCCc2nnc[nH]2)c(C)c(C)[nH+]1 ZINC000357655202 411757047 /nfs/dbraw/zinc/75/70/47/411757047.db2.gz AKGXYDNCXDPRAC-UHFFFAOYSA-N 1 2 246.318 1.565 20 0 BCADLO Cc1nc(NCCCc2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000357655202 411757053 /nfs/dbraw/zinc/75/70/53/411757053.db2.gz AKGXYDNCXDPRAC-UHFFFAOYSA-N 1 2 246.318 1.565 20 0 BCADLO Cc1nc(NCc2nc(CO)n[nH]2)c(C)c(C)[nH+]1 ZINC000641676943 411758695 /nfs/dbraw/zinc/75/86/95/411758695.db2.gz WIONBYUZRMSHJY-UHFFFAOYSA-N 1 2 248.290 0.624 20 0 BCADLO Cc1nc(NCc2n[nH]c(CO)n2)c(C)c(C)[nH+]1 ZINC000641676943 411758700 /nfs/dbraw/zinc/75/87/00/411758700.db2.gz WIONBYUZRMSHJY-UHFFFAOYSA-N 1 2 248.290 0.624 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2=CCCOC2)[nH+]1 ZINC000561697177 411766613 /nfs/dbraw/zinc/76/66/13/411766613.db2.gz LSADAAWJYSBBPB-UHFFFAOYSA-N 1 2 249.318 1.005 20 0 BCADLO Cc1nc(NCC2=CCCOC2)nc(N(C)C)[nH+]1 ZINC000561697177 411766616 /nfs/dbraw/zinc/76/66/16/411766616.db2.gz LSADAAWJYSBBPB-UHFFFAOYSA-N 1 2 249.318 1.005 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]2F)[nH+]1 ZINC000338844791 411767495 /nfs/dbraw/zinc/76/74/95/411767495.db2.gz RIXBIJNGAHBECQ-IUCAKERBSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@@H]2F)nc(N(C)C)[nH+]1 ZINC000338844791 411767499 /nfs/dbraw/zinc/76/74/99/411767499.db2.gz RIXBIJNGAHBECQ-IUCAKERBSA-N 1 2 239.298 1.549 20 0 BCADLO CCc1cc(NCC2(C)COC2)nc[nH+]1 ZINC000379918005 411767804 /nfs/dbraw/zinc/76/78/04/411767804.db2.gz DYZHLLWPVIHQKB-UHFFFAOYSA-N 1 2 207.277 1.487 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)C(F)F)[nH+]1 ZINC000641729979 411767977 /nfs/dbraw/zinc/76/79/77/411767977.db2.gz PVTWSKVMIPDYGZ-YFKPBYRVSA-N 1 2 231.250 1.312 20 0 BCADLO Cc1nc(N[C@@H](C)C(F)F)nc(N(C)C)[nH+]1 ZINC000641729979 411767984 /nfs/dbraw/zinc/76/79/84/411767984.db2.gz PVTWSKVMIPDYGZ-YFKPBYRVSA-N 1 2 231.250 1.312 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2ccn(C)n2)[nH+]1 ZINC000345155535 411768407 /nfs/dbraw/zinc/76/84/07/411768407.db2.gz XKAMKXMZADSXLS-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO Cc1nc(NCc2ccn(C)n2)nc(N(C)C)[nH+]1 ZINC000345155535 411768411 /nfs/dbraw/zinc/76/84/11/411768411.db2.gz XKAMKXMZADSXLS-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2cccnn2)[nH+]1 ZINC000436435816 411768944 /nfs/dbraw/zinc/76/89/44/411768944.db2.gz HUFHGKNNULARLX-UHFFFAOYSA-N 1 2 245.290 0.648 20 0 BCADLO Cc1nc(NCc2cccnn2)nc(N(C)C)[nH+]1 ZINC000436435816 411768949 /nfs/dbraw/zinc/76/89/49/411768949.db2.gz HUFHGKNNULARLX-UHFFFAOYSA-N 1 2 245.290 0.648 20 0 BCADLO CCc1cc(NC[C@H]2COCC[N@@H+]2C)ncn1 ZINC000624619835 411769049 /nfs/dbraw/zinc/76/90/49/411769049.db2.gz NKXSQKFWHCIZFA-NSHDSACASA-N 1 2 236.319 0.782 20 0 BCADLO CCc1cc(NC[C@H]2COCC[N@H+]2C)ncn1 ZINC000624619835 411769054 /nfs/dbraw/zinc/76/90/54/411769054.db2.gz NKXSQKFWHCIZFA-NSHDSACASA-N 1 2 236.319 0.782 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2C)[nH+]1 ZINC000336750164 411769439 /nfs/dbraw/zinc/76/94/39/411769439.db2.gz FSDYMRWMIHZUPI-HTRCEHHLSA-N 1 2 207.281 1.066 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000336750164 411769442 /nfs/dbraw/zinc/76/94/42/411769442.db2.gz FSDYMRWMIHZUPI-HTRCEHHLSA-N 1 2 207.281 1.066 20 0 BCADLO CCc1cc(NCCOCC(=O)OC)nc[nH+]1 ZINC000599159273 411769574 /nfs/dbraw/zinc/76/95/74/411769574.db2.gz OOWNHTLUAHJDGW-UHFFFAOYSA-N 1 2 239.275 0.641 20 0 BCADLO COc1nccc(CNc2cc(C)[nH+]cn2)n1 ZINC000450602612 411776683 /nfs/dbraw/zinc/77/66/83/411776683.db2.gz WYVQEZVTAZINEK-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BCADLO OCc1cc(N2CCn3c[nH+]cc3C2)ncc1F ZINC000663922037 411777424 /nfs/dbraw/zinc/77/74/24/411777424.db2.gz TYJUBDJYFZMJGZ-UHFFFAOYSA-N 1 2 248.261 0.930 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2cc[nH+]c2)n1 ZINC000433768187 411777830 /nfs/dbraw/zinc/77/78/30/411777830.db2.gz IBYFZRNHRJJLJR-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNc1ncn(C)n1 ZINC000431028303 411782964 /nfs/dbraw/zinc/78/29/64/411782964.db2.gz OXWHYJRZWYFDTK-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)[C@H]2CCCN2C1=O ZINC000663939756 411783361 /nfs/dbraw/zinc/78/33/61/411783361.db2.gz QMSHTYPMAOZGET-SECBINFHSA-N 1 2 246.270 0.590 20 0 BCADLO Cc1nccnc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000566947469 411787426 /nfs/dbraw/zinc/78/74/26/411787426.db2.gz QYQNSRXEEDVAIO-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccnc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000566947469 411787429 /nfs/dbraw/zinc/78/74/29/411787429.db2.gz QYQNSRXEEDVAIO-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO COc1ccc(NCc2cncnc2OC)[nH+]c1 ZINC000647193500 411724010 /nfs/dbraw/zinc/72/40/10/411724010.db2.gz CCZCIUAECAKFPK-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661167152 411726536 /nfs/dbraw/zinc/72/65/36/411726536.db2.gz MMAOANIIOAYEJB-LLVKDONJSA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661167152 411726538 /nfs/dbraw/zinc/72/65/38/411726538.db2.gz MMAOANIIOAYEJB-LLVKDONJSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188751 411726968 /nfs/dbraw/zinc/72/69/68/411726968.db2.gz MARFCZQXUKIUSA-BQBZGAKWSA-N 1 2 245.266 0.914 20 0 BCADLO CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188751 411726971 /nfs/dbraw/zinc/72/69/71/411726971.db2.gz MARFCZQXUKIUSA-BQBZGAKWSA-N 1 2 245.266 0.914 20 0 BCADLO CCn1cc[nH+]c1CN(C)Cc1cn(C)nn1 ZINC000661745918 411864289 /nfs/dbraw/zinc/86/42/89/411864289.db2.gz KZJPSWVMQGGFFM-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H](C)C1=O ZINC000661548586 411800771 /nfs/dbraw/zinc/80/07/71/411800771.db2.gz BXFGJXAPIUARBN-BBBLOLIVSA-N 1 2 224.304 0.374 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H](C)C1=O ZINC000661549223 411801201 /nfs/dbraw/zinc/80/12/01/411801201.db2.gz NZSJKUSGCOHESO-IWSPIJDZSA-N 1 2 210.277 0.032 20 0 BCADLO COC[C@]1(CO)CCN(c2cc(C)[nH+]cn2)C1 ZINC000663985503 411802396 /nfs/dbraw/zinc/80/23/96/411802396.db2.gz VPRJDPKUGHXFJU-GFCCVEGCSA-N 1 2 237.303 0.620 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCOC[C@H]2CO)n1 ZINC000661561535 411803694 /nfs/dbraw/zinc/80/36/94/411803694.db2.gz LYMVDGNABUPKJW-SNVBAGLBSA-N 1 2 241.291 0.004 20 0 BCADLO Cc1noc(CCC[N@H+]2CCOC[C@H]2CO)n1 ZINC000661561535 411803696 /nfs/dbraw/zinc/80/36/96/411803696.db2.gz LYMVDGNABUPKJW-SNVBAGLBSA-N 1 2 241.291 0.004 20 0 BCADLO CCc1noc(C)c1C[N@@H+]1CCOC[C@H]1CO ZINC000661565432 411804728 /nfs/dbraw/zinc/80/47/28/411804728.db2.gz OCKDWQRBOTWHKC-SNVBAGLBSA-N 1 2 240.303 0.739 20 0 BCADLO CCc1noc(C)c1C[N@H+]1CCOC[C@H]1CO ZINC000661565432 411804730 /nfs/dbraw/zinc/80/47/30/411804730.db2.gz OCKDWQRBOTWHKC-SNVBAGLBSA-N 1 2 240.303 0.739 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661747656 411865209 /nfs/dbraw/zinc/86/52/09/411865209.db2.gz SWEJXHWFKMGDDY-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661747656 411865212 /nfs/dbraw/zinc/86/52/12/411865212.db2.gz SWEJXHWFKMGDDY-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC[C@H](C)O ZINC000664000295 411807982 /nfs/dbraw/zinc/80/79/82/411807982.db2.gz RSLTVNSTBDJBCE-ZETCQYMHSA-N 1 2 221.264 0.639 20 0 BCADLO C[C@@H](CCO)CCNc1cc(CO)cc[nH+]1 ZINC000641614164 411812476 /nfs/dbraw/zinc/81/24/76/411812476.db2.gz WNUSWHUONZFTQR-SNVBAGLBSA-N 1 2 224.304 1.394 20 0 BCADLO CCn1c[nH+]cc1CNc1ncc(OC)cn1 ZINC000416426504 411816019 /nfs/dbraw/zinc/81/60/19/411816019.db2.gz JPECCKYNZSYSDG-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BCADLO Cc1cc(N2CCO[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664021261 411816481 /nfs/dbraw/zinc/81/64/81/411816481.db2.gz ZCYADAWRMIOEHB-NXEZZACHSA-N 1 2 223.276 0.371 20 0 BCADLO C[N@@H+](Cc1nccs1)C[C@@H]1COCCO1 ZINC000661612176 411816431 /nfs/dbraw/zinc/81/64/31/411816431.db2.gz KVISLNFSFWHYRL-SECBINFHSA-N 1 2 228.317 0.990 20 0 BCADLO C[N@H+](Cc1nccs1)C[C@@H]1COCCO1 ZINC000661612176 411816433 /nfs/dbraw/zinc/81/64/33/411816433.db2.gz KVISLNFSFWHYRL-SECBINFHSA-N 1 2 228.317 0.990 20 0 BCADLO CNC(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000664021882 411816894 /nfs/dbraw/zinc/81/68/94/411816894.db2.gz IZOXUGFQTXQKOH-UHFFFAOYSA-N 1 2 235.291 0.695 20 0 BCADLO Cc1cc(N[C@@H](CO)Cc2cnn(C)c2)nc[nH+]1 ZINC000664027151 411817930 /nfs/dbraw/zinc/81/79/30/411817930.db2.gz ZWWOWBNULMCIBK-LLVKDONJSA-N 1 2 247.302 0.534 20 0 BCADLO C[C@@H](F)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000338748907 411822237 /nfs/dbraw/zinc/82/22/37/411822237.db2.gz CWBWWSGBZWWGSN-ZCFIWIBFSA-N 1 2 238.270 1.106 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)CC2(CCC2)C1=O ZINC000664043112 411825651 /nfs/dbraw/zinc/82/56/51/411825651.db2.gz ILQXVKWBDSGZPF-UHFFFAOYSA-N 1 2 247.298 0.892 20 0 BCADLO C[C@@H](C[N@H+](C)CC1=CCCOC1)S(C)(=O)=O ZINC000661653222 411830106 /nfs/dbraw/zinc/83/01/06/411830106.db2.gz RFCBXJYPMDLUOX-JTQLQIEISA-N 1 2 247.360 0.698 20 0 BCADLO C[C@@H](C[N@@H+](C)CC1=CCCOC1)S(C)(=O)=O ZINC000661653222 411830109 /nfs/dbraw/zinc/83/01/09/411830109.db2.gz RFCBXJYPMDLUOX-JTQLQIEISA-N 1 2 247.360 0.698 20 0 BCADLO C[C@@H](O)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000360467480 411831422 /nfs/dbraw/zinc/83/14/22/411831422.db2.gz QYHFRFBIGYIVDV-SNVBAGLBSA-N 1 2 232.287 1.450 20 0 BCADLO Cc1cc(CO)cc(N2CN(C)C(=O)[C@H]2C)[nH+]1 ZINC000664057767 411833641 /nfs/dbraw/zinc/83/36/41/411833641.db2.gz ITVKLZWFHIVGPU-SECBINFHSA-N 1 2 235.287 0.507 20 0 BCADLO CC(C)N(Cc1c[nH+]cn1C)S(C)(=O)=O ZINC000664073934 411840051 /nfs/dbraw/zinc/84/00/51/411840051.db2.gz HIEPVMVVINGOSJ-UHFFFAOYSA-N 1 2 231.321 0.590 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000236881834 170744703 /nfs/dbraw/zinc/74/47/03/170744703.db2.gz YQEAXHSDODNJCT-RKDXNWHRSA-N 1 2 224.308 0.803 20 0 BCADLO CC(=O)N1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000428906609 411854569 /nfs/dbraw/zinc/85/45/69/411854569.db2.gz LWBURMKWWKVFOO-SECBINFHSA-N 1 2 248.286 0.471 20 0 BCADLO CCN(CCSC)c1nc(C)[nH+]c(N)n1 ZINC000601185387 411855723 /nfs/dbraw/zinc/85/57/23/411855723.db2.gz RAQDUAGTXOPSSN-UHFFFAOYSA-N 1 2 227.337 0.952 20 0 BCADLO CCN(CCSC)c1nc(N)nc(C)[nH+]1 ZINC000601185387 411855726 /nfs/dbraw/zinc/85/57/26/411855726.db2.gz RAQDUAGTXOPSSN-UHFFFAOYSA-N 1 2 227.337 0.952 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821557 411855806 /nfs/dbraw/zinc/85/58/06/411855806.db2.gz VZEDFPNNXMXAQX-QMMMGPOBSA-N 1 2 224.264 0.420 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821557 411855812 /nfs/dbraw/zinc/85/58/12/411855812.db2.gz VZEDFPNNXMXAQX-QMMMGPOBSA-N 1 2 224.264 0.420 20 0 BCADLO CCN1CCC[N@H+](Cc2ccnc(N)c2)CC1=O ZINC000365342768 411857096 /nfs/dbraw/zinc/85/70/96/411857096.db2.gz IXWPKLXEBFAYTB-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccnc(N)c2)CC1=O ZINC000365342768 411857101 /nfs/dbraw/zinc/85/71/01/411857101.db2.gz IXWPKLXEBFAYTB-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(N)nc1 ZINC000647538290 411858339 /nfs/dbraw/zinc/85/83/39/411858339.db2.gz LFCZMWCKPZTZFI-UHFFFAOYSA-N 1 2 246.318 0.814 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(N)nc1 ZINC000647538290 411858343 /nfs/dbraw/zinc/85/83/43/411858343.db2.gz LFCZMWCKPZTZFI-UHFFFAOYSA-N 1 2 246.318 0.814 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(C2CC2)nn1 ZINC000664122607 411861092 /nfs/dbraw/zinc/86/10/92/411861092.db2.gz YGKSDCKECFFPJC-UHFFFAOYSA-N 1 2 203.249 0.937 20 0 BCADLO CC[C@]1(C)CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631241863 411886005 /nfs/dbraw/zinc/88/60/05/411886005.db2.gz WWTDVZIEPMUHSQ-LLVKDONJSA-N 1 2 237.307 0.768 20 0 BCADLO CC[C@]1(C)CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631241863 411886009 /nfs/dbraw/zinc/88/60/09/411886009.db2.gz WWTDVZIEPMUHSQ-LLVKDONJSA-N 1 2 237.307 0.768 20 0 BCADLO CCc1nnc(C[N@H+]2CCC(=O)N(C)CC2)o1 ZINC000661813460 411890338 /nfs/dbraw/zinc/89/03/38/411890338.db2.gz ICKGYVLYUHGAEI-UHFFFAOYSA-N 1 2 238.291 0.296 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC(=O)N(C)CC2)o1 ZINC000661813460 411890341 /nfs/dbraw/zinc/89/03/41/411890341.db2.gz ICKGYVLYUHGAEI-UHFFFAOYSA-N 1 2 238.291 0.296 20 0 BCADLO CC1(CO)CN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000577816991 411891624 /nfs/dbraw/zinc/89/16/24/411891624.db2.gz RKMVHBXLMLVXIS-UHFFFAOYSA-N 1 2 244.298 1.031 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000578223573 411891660 /nfs/dbraw/zinc/89/16/60/411891660.db2.gz IODJPFHQWUFBIE-GMSGAONNSA-N 1 2 248.286 0.366 20 0 BCADLO C[C@H](O)CNc1cc(NC/C=C\CO)nc[nH+]1 ZINC000664235346 411891652 /nfs/dbraw/zinc/89/16/52/411891652.db2.gz GXYGHYCZWSKNNZ-XADBCAIWSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@H](O)CNc1cc(NC/C=C\CO)[nH+]cn1 ZINC000664235346 411891655 /nfs/dbraw/zinc/89/16/55/411891655.db2.gz GXYGHYCZWSKNNZ-XADBCAIWSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@@H](O)CNc1cc(NC/C=C/CO)nc[nH+]1 ZINC000664235343 411891964 /nfs/dbraw/zinc/89/19/64/411891964.db2.gz GXYGHYCZWSKNNZ-GKQMSVHHSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@@H](O)CNc1cc(NC/C=C/CO)[nH+]cn1 ZINC000664235343 411891965 /nfs/dbraw/zinc/89/19/65/411891965.db2.gz GXYGHYCZWSKNNZ-GKQMSVHHSA-N 1 2 238.291 0.230 20 0 BCADLO CCC1(CNc2nc(C)[nH+]c(N)n2)COC1 ZINC000631295617 411894397 /nfs/dbraw/zinc/89/43/97/411894397.db2.gz WBVWMIYCISXSDD-UHFFFAOYSA-N 1 2 223.280 0.023 20 0 BCADLO CCC1(CNc2nc(N)nc(C)[nH+]2)COC1 ZINC000631295617 411894398 /nfs/dbraw/zinc/89/43/98/411894398.db2.gz WBVWMIYCISXSDD-UHFFFAOYSA-N 1 2 223.280 0.023 20 0 BCADLO CO[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631294794 411894849 /nfs/dbraw/zinc/89/48/49/411894849.db2.gz RYHPGONJSCHODD-VXNVDRBHSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C[C@H]1C ZINC000631294794 411894853 /nfs/dbraw/zinc/89/48/53/411894853.db2.gz RYHPGONJSCHODD-VXNVDRBHSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000664242881 411895781 /nfs/dbraw/zinc/89/57/81/411895781.db2.gz QHUXBOHTWITULR-IUCAKERBSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1nnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000664242881 411895784 /nfs/dbraw/zinc/89/57/84/411895784.db2.gz QHUXBOHTWITULR-IUCAKERBSA-N 1 2 240.307 0.899 20 0 BCADLO CO[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631203112 411897442 /nfs/dbraw/zinc/89/74/42/411897442.db2.gz KJRYEZCMRGGOEM-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO CO[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631203112 411897446 /nfs/dbraw/zinc/89/74/46/411897446.db2.gz KJRYEZCMRGGOEM-SECBINFHSA-N 1 2 237.307 0.768 20 0 BCADLO C[C@H](CNC(=O)c1ncnn1C)Cn1cc[nH+]c1 ZINC000664250707 411898593 /nfs/dbraw/zinc/89/85/93/411898593.db2.gz RJOPEGOIDASEHW-SECBINFHSA-N 1 2 248.290 0.078 20 0 BCADLO CO[C@H](C)[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631238779 411898813 /nfs/dbraw/zinc/89/88/13/411898813.db2.gz ORCNJDSEMWBCAD-NTSWFWBYSA-N 1 2 211.269 0.019 20 0 BCADLO CO[C@H](C)[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631238779 411898816 /nfs/dbraw/zinc/89/88/16/411898816.db2.gz ORCNJDSEMWBCAD-NTSWFWBYSA-N 1 2 211.269 0.019 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+](C)CCn1cccn1 ZINC000568169581 411901797 /nfs/dbraw/zinc/90/17/97/411901797.db2.gz NZEREBMWRYLQCN-JTQLQIEISA-N 1 2 246.318 0.948 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCn1cccn1 ZINC000568169581 411901800 /nfs/dbraw/zinc/90/18/00/411901800.db2.gz NZEREBMWRYLQCN-JTQLQIEISA-N 1 2 246.318 0.948 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C1=O ZINC000661852858 411902483 /nfs/dbraw/zinc/90/24/83/411902483.db2.gz JOXNCPZOBPGLLQ-OUAUKWLOSA-N 1 2 242.319 0.648 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](C)O[C@@H](C)C2)C1=O ZINC000661852858 411902485 /nfs/dbraw/zinc/90/24/85/411902485.db2.gz JOXNCPZOBPGLLQ-OUAUKWLOSA-N 1 2 242.319 0.648 20 0 BCADLO Cc1nc(N2CC[C@@H](O)C(F)(F)C2)cc[nH+]1 ZINC000664259262 411902840 /nfs/dbraw/zinc/90/28/40/411902840.db2.gz NVDIUFJYOPNESN-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO Cc1nc(N[C@@H](C)Cc2ccccn2)nc(N)[nH+]1 ZINC000631348602 411942552 /nfs/dbraw/zinc/94/25/52/411942552.db2.gz ZPPWVZMLQYWDNC-QMMMGPOBSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)Cc2ccccn2)[nH+]1 ZINC000631348602 411942555 /nfs/dbraw/zinc/94/25/55/411942555.db2.gz ZPPWVZMLQYWDNC-QMMMGPOBSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(NCC2=CCCCC2)nc(N)[nH+]1 ZINC000379834729 411942568 /nfs/dbraw/zinc/94/25/68/411942568.db2.gz YRDBSPCBPACNDN-UHFFFAOYSA-N 1 2 219.292 1.096 20 0 BCADLO Cc1nc(N)nc(NCC2=CCCCC2)[nH+]1 ZINC000379834729 411942571 /nfs/dbraw/zinc/94/25/71/411942571.db2.gz YRDBSPCBPACNDN-UHFFFAOYSA-N 1 2 219.292 1.096 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1nccc(N)n1 ZINC000367670202 411907072 /nfs/dbraw/zinc/90/70/72/411907072.db2.gz ZPFSYQWUYPRQAQ-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1nccc(N)n1 ZINC000367670202 411907078 /nfs/dbraw/zinc/90/70/78/411907078.db2.gz ZPFSYQWUYPRQAQ-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO COCc1nnc(CNc2cc[nH+]c(C)c2)[nH]1 ZINC000664279260 411910161 /nfs/dbraw/zinc/91/01/61/411910161.db2.gz ZVAKRSHHOFPYGP-UHFFFAOYSA-N 1 2 233.275 0.689 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1N ZINC000132356875 411910999 /nfs/dbraw/zinc/91/09/99/411910999.db2.gz BZTQQZBHTBPUHI-SECBINFHSA-N 1 2 245.286 0.679 20 0 BCADLO CCc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000664285801 411911790 /nfs/dbraw/zinc/91/17/90/411911790.db2.gz FCLLXBNKZAFXRO-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO CCc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000664285801 411911794 /nfs/dbraw/zinc/91/17/94/411911794.db2.gz FCLLXBNKZAFXRO-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@]2(C)C[C@H]2F)c[nH+]1 ZINC000570282759 411912689 /nfs/dbraw/zinc/91/26/89/411912689.db2.gz ODDIEJJXYLCULV-LDYMZIIASA-N 1 2 238.266 0.732 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000548424377 411912822 /nfs/dbraw/zinc/91/28/22/411912822.db2.gz YNIBPPREMDVACC-OCAPTIKFSA-N 1 2 236.323 0.503 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000548424377 411912826 /nfs/dbraw/zinc/91/28/26/411912826.db2.gz YNIBPPREMDVACC-OCAPTIKFSA-N 1 2 236.323 0.503 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000646165728 411913394 /nfs/dbraw/zinc/91/33/94/411913394.db2.gz PGOCYVLMYONAGD-URLYPYJESA-N 1 2 246.314 1.030 20 0 BCADLO CCC[C@H](CNc1nc(C)[nH+]c(N)n1)OCC ZINC000631383930 411915812 /nfs/dbraw/zinc/91/58/12/411915812.db2.gz NMUYHCAGUNPHFJ-SECBINFHSA-N 1 2 239.323 0.801 20 0 BCADLO CCC[C@H](CNc1nc(N)nc(C)[nH+]1)OCC ZINC000631383930 411915814 /nfs/dbraw/zinc/91/58/14/411915814.db2.gz NMUYHCAGUNPHFJ-SECBINFHSA-N 1 2 239.323 0.801 20 0 BCADLO OCC1(O)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000664345107 411925564 /nfs/dbraw/zinc/92/55/64/411925564.db2.gz NXXNZCZXEGHZTD-UHFFFAOYSA-N 1 2 249.314 0.678 20 0 BCADLO Cc1nc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc[nH+]1 ZINC000664342375 411926019 /nfs/dbraw/zinc/92/60/19/411926019.db2.gz JCILNBILSCOQBG-QWRGUYRKSA-N 1 2 246.314 0.890 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccnc(N)c1 ZINC000411569560 411927785 /nfs/dbraw/zinc/92/77/85/411927785.db2.gz MOBFXCUULBHOBP-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccnc(N)c1 ZINC000411569560 411927789 /nfs/dbraw/zinc/92/77/89/411927789.db2.gz MOBFXCUULBHOBP-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO Cc1nc(NCC[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000631383829 411943360 /nfs/dbraw/zinc/94/33/60/411943360.db2.gz LOMYIYHLZLHISY-VIFPVBQESA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N)nc(NCC[C@@H]2CCCOC2)[nH+]1 ZINC000631383829 411943370 /nfs/dbraw/zinc/94/33/70/411943370.db2.gz LOMYIYHLZLHISY-VIFPVBQESA-N 1 2 237.307 0.413 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccc(N)nc1 ZINC000647538812 411933132 /nfs/dbraw/zinc/93/31/32/411933132.db2.gz INRYXRPBFRIEBG-VIFPVBQESA-N 1 2 244.302 0.832 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccc(N)nc1 ZINC000647538812 411933137 /nfs/dbraw/zinc/93/31/37/411933137.db2.gz INRYXRPBFRIEBG-VIFPVBQESA-N 1 2 244.302 0.832 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1nccc(N)n1 ZINC000516981658 411935287 /nfs/dbraw/zinc/93/52/87/411935287.db2.gz UOODKHTUIBJATL-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1cnc(C(=O)NCc2ccc(N)[nH+]c2)o1 ZINC000494358031 411935416 /nfs/dbraw/zinc/93/54/16/411935416.db2.gz MQNYRYAYYBRJSE-UHFFFAOYSA-N 1 2 232.243 0.890 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCCC[C@H]2O)nc(N)[nH+]1 ZINC000631429236 411937411 /nfs/dbraw/zinc/93/74/11/411937411.db2.gz RZLZVICEFJBTRV-RKDXNWHRSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N(C)[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000631429236 411937415 /nfs/dbraw/zinc/93/74/15/411937415.db2.gz RZLZVICEFJBTRV-RKDXNWHRSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(NCC(C)(F)F)nc(N)[nH+]1 ZINC000631281228 411937897 /nfs/dbraw/zinc/93/78/97/411937897.db2.gz FNSSIMBJIOSQGS-UHFFFAOYSA-N 1 2 203.196 0.251 20 0 BCADLO Cc1nc(N)nc(NCC(C)(F)F)[nH+]1 ZINC000631281228 411937901 /nfs/dbraw/zinc/93/79/01/411937901.db2.gz FNSSIMBJIOSQGS-UHFFFAOYSA-N 1 2 203.196 0.251 20 0 BCADLO CC(C)=CCCNc1nc(C)[nH+]c(N)n1 ZINC000397734683 411869000 /nfs/dbraw/zinc/86/90/00/411869000.db2.gz FMLRATWVBUQHOP-UHFFFAOYSA-N 1 2 207.281 0.952 20 0 BCADLO CC(C)=CCCNc1nc(N)nc(C)[nH+]1 ZINC000397734683 411869004 /nfs/dbraw/zinc/86/90/04/411869004.db2.gz FMLRATWVBUQHOP-UHFFFAOYSA-N 1 2 207.281 0.952 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000563066387 411874919 /nfs/dbraw/zinc/87/49/19/411874919.db2.gz NXMQAMPXVBFALQ-SNVBAGLBSA-N 1 2 236.319 1.058 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000563066387 411874928 /nfs/dbraw/zinc/87/49/28/411874928.db2.gz NXMQAMPXVBFALQ-SNVBAGLBSA-N 1 2 236.319 1.058 20 0 BCADLO CC[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379912310 411876373 /nfs/dbraw/zinc/87/63/73/411876373.db2.gz NNVKAKRVPYUBHA-RNFRBKRXSA-N 1 2 209.297 1.031 20 0 BCADLO CC[C@@H](C)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379912310 411876377 /nfs/dbraw/zinc/87/63/77/411876377.db2.gz NNVKAKRVPYUBHA-RNFRBKRXSA-N 1 2 209.297 1.031 20 0 BCADLO C[C@@H](CC(N)=O)Nc1nc(N)c2ccccc2[nH+]1 ZINC000551895525 411878277 /nfs/dbraw/zinc/87/82/77/411878277.db2.gz YMRHECSLGMPNIL-ZETCQYMHSA-N 1 2 245.286 0.310 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)C1CCC1 ZINC000664174840 411881501 /nfs/dbraw/zinc/88/15/01/411881501.db2.gz WPBZZGZSLPJPEH-JTQLQIEISA-N 1 2 247.302 0.936 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(N)nc1 ZINC000647537740 411881780 /nfs/dbraw/zinc/88/17/80/411881780.db2.gz FHFUBZLCUPIADF-UHFFFAOYSA-N 1 2 217.276 1.019 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(N)nc1 ZINC000647537740 411881783 /nfs/dbraw/zinc/88/17/83/411881783.db2.gz FHFUBZLCUPIADF-UHFFFAOYSA-N 1 2 217.276 1.019 20 0 BCADLO Cc1nc(N2CCC[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000631105616 411964578 /nfs/dbraw/zinc/96/45/78/411964578.db2.gz JDUHTZRDFKCQIG-VIFPVBQESA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H](CCO)C2)[nH+]1 ZINC000631105616 411964580 /nfs/dbraw/zinc/96/45/80/411964580.db2.gz JDUHTZRDFKCQIG-VIFPVBQESA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N[C@H](CO)C2CCC2)nc(N)[nH+]1 ZINC000631350913 411967089 /nfs/dbraw/zinc/96/70/89/411967089.db2.gz HVXSPUQZEPBKKC-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)C2CCC2)[nH+]1 ZINC000631350913 411967098 /nfs/dbraw/zinc/96/70/98/411967098.db2.gz HVXSPUQZEPBKKC-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(N)[nH+]1 ZINC000631325863 411967798 /nfs/dbraw/zinc/96/77/98/411967798.db2.gz AFKSZPGJRCDWEP-PRJMDXOYSA-N 1 2 221.264 0.494 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000631325863 411967803 /nfs/dbraw/zinc/96/78/03/411967803.db2.gz AFKSZPGJRCDWEP-PRJMDXOYSA-N 1 2 221.264 0.494 20 0 BCADLO Cc1nc(N[C@H]2C[C@@](C)(O)C2)nc(N)[nH+]1 ZINC000631314145 411969665 /nfs/dbraw/zinc/96/96/65/411969665.db2.gz OGZXXKCDHFLZFP-JOTVFPGJSA-N 1 2 209.253 0.088 20 0 BCADLO Cc1nc(N)nc(N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000631314145 411969672 /nfs/dbraw/zinc/96/96/72/411969672.db2.gz OGZXXKCDHFLZFP-JOTVFPGJSA-N 1 2 209.253 0.088 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662072713 411974639 /nfs/dbraw/zinc/97/46/39/411974639.db2.gz NTZQBHIJUKXFRE-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC2(COC2)C1 ZINC000662072713 411974640 /nfs/dbraw/zinc/97/46/40/411974640.db2.gz NTZQBHIJUKXFRE-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO Cc1nc(N(C)C)nc(NC2([C@H](C)O)CC2)[nH+]1 ZINC000664549283 411983503 /nfs/dbraw/zinc/98/35/03/411983503.db2.gz HEFFEOLOLQRMMA-ZETCQYMHSA-N 1 2 237.307 0.571 20 0 BCADLO Cc1nc(NC2([C@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000664549283 411983506 /nfs/dbraw/zinc/98/35/06/411983506.db2.gz HEFFEOLOLQRMMA-ZETCQYMHSA-N 1 2 237.307 0.571 20 0 BCADLO Cc1nc(N)c(CNC(=O)COC(C)C)c[nH+]1 ZINC000560500171 411985671 /nfs/dbraw/zinc/98/56/71/411985671.db2.gz ZSHJWPXEXHCBTN-UHFFFAOYSA-N 1 2 238.291 0.408 20 0 BCADLO C[C@H](NC(=O)N1CCC1)c1[nH+]ccn1C ZINC000662100634 411987802 /nfs/dbraw/zinc/98/78/02/411987802.db2.gz YLVHLXODAJRQSO-QMMMGPOBSA-N 1 2 208.265 0.896 20 0 BCADLO COCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662102057 411988076 /nfs/dbraw/zinc/98/80/76/411988076.db2.gz XSIWFDJLKAPJID-SECBINFHSA-N 1 2 240.307 0.817 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662101155 411988865 /nfs/dbraw/zinc/98/88/65/411988865.db2.gz LTBQBEBWRIFGBJ-LLVKDONJSA-N 1 2 248.282 0.475 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662101155 411988869 /nfs/dbraw/zinc/98/88/69/411988869.db2.gz LTBQBEBWRIFGBJ-LLVKDONJSA-N 1 2 248.282 0.475 20 0 BCADLO Cc1nc(N2CCC3(COC3)C2)nc(N(C)C)[nH+]1 ZINC000664571107 411989465 /nfs/dbraw/zinc/98/94/65/411989465.db2.gz XCTZTPRFFZYDAX-UHFFFAOYSA-N 1 2 249.318 0.473 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC3(COC3)C2)[nH+]1 ZINC000664571107 411989467 /nfs/dbraw/zinc/98/94/67/411989467.db2.gz XCTZTPRFFZYDAX-UHFFFAOYSA-N 1 2 249.318 0.473 20 0 BCADLO C[C@H](N=c1ncnc2[nH][nH]cc1-2)c1[nH+]ccn1C ZINC000664609236 411998107 /nfs/dbraw/zinc/99/81/07/411998107.db2.gz WOKZBGSQCWYTIM-ZETCQYMHSA-N 1 2 243.274 0.633 20 0 BCADLO C[C@H](Nc1nccn2nnnc12)c1[nH+]ccn1C ZINC000664608498 411998142 /nfs/dbraw/zinc/99/81/42/411998142.db2.gz FOOXNQQWTVLCLY-ZETCQYMHSA-N 1 2 244.262 0.426 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCOCCF ZINC000662168905 412017472 /nfs/dbraw/zinc/01/74/72/412017472.db2.gz ATNPLFWVPDOIBF-UHFFFAOYSA-N 1 2 244.270 0.537 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCOCCF ZINC000662168905 412017477 /nfs/dbraw/zinc/01/74/77/412017477.db2.gz ATNPLFWVPDOIBF-UHFFFAOYSA-N 1 2 244.270 0.537 20 0 BCADLO Cc1nc(NCCCC(C)(C)CO)nc(N)[nH+]1 ZINC000393391660 411944608 /nfs/dbraw/zinc/94/46/08/411944608.db2.gz CUXNBQUXODYTBN-UHFFFAOYSA-N 1 2 239.323 0.395 20 0 BCADLO Cc1nc(N)nc(NCCCC(C)(C)CO)[nH+]1 ZINC000393391660 411944614 /nfs/dbraw/zinc/94/46/14/411944614.db2.gz CUXNBQUXODYTBN-UHFFFAOYSA-N 1 2 239.323 0.395 20 0 BCADLO Cc1nc(N[C@@H](C)C2CCC2)nc(N)[nH+]1 ZINC000379806648 411945228 /nfs/dbraw/zinc/94/52/28/411945228.db2.gz MOBANFIUUJDDOX-LURJTMIESA-N 1 2 207.281 0.785 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)C2CCC2)[nH+]1 ZINC000379806648 411945232 /nfs/dbraw/zinc/94/52/32/411945232.db2.gz MOBANFIUUJDDOX-LURJTMIESA-N 1 2 207.281 0.785 20 0 BCADLO Cc1cc(CN(C)c2nc(C)[nH+]c(N)n2)no1 ZINC000631055771 411952027 /nfs/dbraw/zinc/95/20/27/411952027.db2.gz GCXGEOFUTHGZQT-UHFFFAOYSA-N 1 2 234.263 0.695 20 0 BCADLO Cc1cc(CN(C)c2nc(N)nc(C)[nH+]2)no1 ZINC000631055771 411952032 /nfs/dbraw/zinc/95/20/32/411952032.db2.gz GCXGEOFUTHGZQT-UHFFFAOYSA-N 1 2 234.263 0.695 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCCCC1 ZINC000565220288 411953653 /nfs/dbraw/zinc/95/36/53/411953653.db2.gz CEMKIGBTZTUJKM-UHFFFAOYSA-N 1 2 232.291 0.936 20 0 BCADLO Nc1ccc(CNC(=O)Nc2ccon2)c[nH+]1 ZINC000338425096 411954303 /nfs/dbraw/zinc/95/43/03/411954303.db2.gz PTVJPFKXQWSUML-UHFFFAOYSA-N 1 2 233.231 0.395 20 0 BCADLO Nc1nnc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000329756698 411955015 /nfs/dbraw/zinc/95/50/15/411955015.db2.gz MKQOUKBCLNUIBN-UHFFFAOYSA-N 1 2 232.247 0.353 20 0 BCADLO Nc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000647538926 411955318 /nfs/dbraw/zinc/95/53/18/411955318.db2.gz OCCDSHCQEIEUHM-UWVGGRQHSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000647538926 411955320 /nfs/dbraw/zinc/95/53/20/411955320.db2.gz OCCDSHCQEIEUHM-UWVGGRQHSA-N 1 2 225.267 0.569 20 0 BCADLO CN(Cc1cn(C)nn1)c1cccc[nH+]1 ZINC000664433425 411955735 /nfs/dbraw/zinc/95/57/35/411955735.db2.gz FGQLKBCTSOAXIW-UHFFFAOYSA-N 1 2 203.249 0.847 20 0 BCADLO Cc1nc(N2CCC(C3(O)CC3)CC2)nc(N)[nH+]1 ZINC000631329607 411959667 /nfs/dbraw/zinc/95/96/67/411959667.db2.gz PWPVIJRZAXDNHI-UHFFFAOYSA-N 1 2 249.318 0.504 20 0 BCADLO Cc1nc(N)nc(N2CCC(C3(O)CC3)CC2)[nH+]1 ZINC000631329607 411959669 /nfs/dbraw/zinc/95/96/69/411959669.db2.gz PWPVIJRZAXDNHI-UHFFFAOYSA-N 1 2 249.318 0.504 20 0 BCADLO Cc1nc(N2CCC(CCO)CC2)nc(N)[nH+]1 ZINC000401036075 411960731 /nfs/dbraw/zinc/96/07/31/411960731.db2.gz NGVHBPWXXUJLAL-UHFFFAOYSA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N)nc(N2CCC(CCO)CC2)[nH+]1 ZINC000401036075 411960736 /nfs/dbraw/zinc/96/07/36/411960736.db2.gz NGVHBPWXXUJLAL-UHFFFAOYSA-N 1 2 237.307 0.361 20 0 BCADLO CN1C[C@@H](CNc2cccc[nH+]2)CC1=O ZINC000664459619 411962697 /nfs/dbraw/zinc/96/26/97/411962697.db2.gz AIQIEFRZNQBCDM-SECBINFHSA-N 1 2 205.261 0.972 20 0 BCADLO Cc1nc(N2CCC[C@]3(CCOC3)C2)nc(N)[nH+]1 ZINC000631294762 411963372 /nfs/dbraw/zinc/96/33/72/411963372.db2.gz NWQLAOYVTMOCDQ-LBPRGKRZSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@]3(CCOC3)C2)[nH+]1 ZINC000631294762 411963377 /nfs/dbraw/zinc/96/33/77/411963377.db2.gz NWQLAOYVTMOCDQ-LBPRGKRZSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N2CCC[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000631273509 411963665 /nfs/dbraw/zinc/96/36/65/411963665.db2.gz POMCVGJQTLXKGM-SFYZADRCSA-N 1 2 205.265 0.751 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000631273509 411963667 /nfs/dbraw/zinc/96/36/67/411963667.db2.gz POMCVGJQTLXKGM-SFYZADRCSA-N 1 2 205.265 0.751 20 0 BCADLO Cc1nc(N2CCC[C@@](C)(O)CC2)nc(N)[nH+]1 ZINC000393824546 411963691 /nfs/dbraw/zinc/96/36/91/411963691.db2.gz CDCLTBBTLSMFHV-LLVKDONJSA-N 1 2 237.307 0.504 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@](C)(O)CC2)[nH+]1 ZINC000393824546 411963695 /nfs/dbraw/zinc/96/36/95/411963695.db2.gz CDCLTBBTLSMFHV-LLVKDONJSA-N 1 2 237.307 0.504 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000265623015 170958932 /nfs/dbraw/zinc/95/89/32/170958932.db2.gz BTROTWYIOIXRJK-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000265623015 170958934 /nfs/dbraw/zinc/95/89/34/170958934.db2.gz BTROTWYIOIXRJK-OLZOCXBDSA-N 1 2 248.326 0.930 20 0 BCADLO CC1(C)C[N@H+](CC(N)=O)[C@@H]1c1cccnc1 ZINC000664828750 412029294 /nfs/dbraw/zinc/02/92/94/412029294.db2.gz JZADHVGKLARUMF-LLVKDONJSA-N 1 2 219.288 0.950 20 0 BCADLO CC1(C)C[N@@H+](CC(N)=O)[C@@H]1c1cccnc1 ZINC000664828750 412029298 /nfs/dbraw/zinc/02/92/98/412029298.db2.gz JZADHVGKLARUMF-LLVKDONJSA-N 1 2 219.288 0.950 20 0 BCADLO C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245004 412040666 /nfs/dbraw/zinc/04/06/66/412040666.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 1 2 227.352 0.034 20 0 BCADLO CC[C@@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000268211035 171049165 /nfs/dbraw/zinc/04/91/65/171049165.db2.gz VMYZEMUEOGNQFF-RKDXNWHRSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)C[C@@]2(CCOC2)O1 ZINC000369169035 171076567 /nfs/dbraw/zinc/07/65/67/171076567.db2.gz XOHJAASDTTVCRB-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@]2(CCOC2)O1 ZINC000369169035 171076569 /nfs/dbraw/zinc/07/65/69/171076569.db2.gz XOHJAASDTTVCRB-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C[N@H+](CCOC)C[C@H](C)[S@]1=O ZINC000352894513 171080349 /nfs/dbraw/zinc/08/03/49/171080349.db2.gz SYIUNYBDCRYPNU-IMSIIYSGSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOC)C[C@H](C)[S@]1=O ZINC000352894513 171080352 /nfs/dbraw/zinc/08/03/52/171080352.db2.gz SYIUNYBDCRYPNU-IMSIIYSGSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@H+](CCO)C[C@H](C)[S@]1=O ZINC000306506480 171081553 /nfs/dbraw/zinc/08/15/53/171081553.db2.gz VQAGVJVEUJERDM-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO CC[C@@H]1C[N@@H+](CCO)C[C@H](C)[S@]1=O ZINC000306506480 171081555 /nfs/dbraw/zinc/08/15/55/171081555.db2.gz VQAGVJVEUJERDM-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000665033989 412063347 /nfs/dbraw/zinc/06/33/47/412063347.db2.gz GBTDXGQBMUMMRR-MNOVXSKESA-N 1 2 238.262 0.246 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(F)c1 ZINC000665033989 412063352 /nfs/dbraw/zinc/06/33/52/412063352.db2.gz GBTDXGQBMUMMRR-MNOVXSKESA-N 1 2 238.262 0.246 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000341021591 171094801 /nfs/dbraw/zinc/09/48/01/171094801.db2.gz XRRJBGFWKDYHJA-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000341021591 171094803 /nfs/dbraw/zinc/09/48/03/171094803.db2.gz XRRJBGFWKDYHJA-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)CC ZINC000349130544 171107694 /nfs/dbraw/zinc/10/76/94/171107694.db2.gz WYZBUIVIYKLAJU-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)CC ZINC000349130544 171107697 /nfs/dbraw/zinc/10/76/97/171107697.db2.gz WYZBUIVIYKLAJU-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000336343720 171112225 /nfs/dbraw/zinc/11/22/25/171112225.db2.gz HOUBZKTYCQMCKY-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000336343720 171112227 /nfs/dbraw/zinc/11/22/27/171112227.db2.gz HOUBZKTYCQMCKY-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@](C)([NH2+]CCN1CCCC1=O)C(=O)OC ZINC000352890667 171175606 /nfs/dbraw/zinc/17/56/06/171175606.db2.gz YMCVIKVOYDBHKI-GFCCVEGCSA-N 1 2 242.319 0.540 20 0 BCADLO CC[C@@](C)([NH2+]Cc1ncnn1C(C)C)C(N)=O ZINC000310186194 171175724 /nfs/dbraw/zinc/17/57/24/171175724.db2.gz WCXJQPPAZZPMPH-LLVKDONJSA-N 1 2 239.323 0.603 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCc1c[nH+]cn1C ZINC000276575051 171179842 /nfs/dbraw/zinc/17/98/42/171179842.db2.gz KYIQQLBQBXWNPQ-GFCCVEGCSA-N 1 2 239.319 0.630 20 0 BCADLO CC[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267207237 171181400 /nfs/dbraw/zinc/18/14/00/171181400.db2.gz RJOYHUDAJGATNB-SNVBAGLBSA-N 1 2 211.265 0.609 20 0 BCADLO CC[C@@](C)(O)CNC(=O)NCCn1cc[nH+]c1 ZINC000105064667 171181993 /nfs/dbraw/zinc/18/19/93/171181993.db2.gz BAYMHKZWUYBGEV-LLVKDONJSA-N 1 2 240.307 0.343 20 0 BCADLO CC[C@@]1(C(=O)NO[C@H]2CCCCO2)CC[NH2+]C1 ZINC000119576592 171195440 /nfs/dbraw/zinc/19/54/40/171195440.db2.gz FYLCEFDOGHNYSG-CMPLNLGQSA-N 1 2 242.319 0.951 20 0 BCADLO CC[C@H](C(=O)N1CCc2[nH]nnc2C1)[NH+](C)C ZINC000338962788 171225645 /nfs/dbraw/zinc/22/56/45/171225645.db2.gz GXQBSOFAOHWFDQ-SNVBAGLBSA-N 1 2 237.307 0.030 20 0 BCADLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000331296175 171239245 /nfs/dbraw/zinc/23/92/45/171239245.db2.gz NYJTXWAQZHJKKM-OPRDCNLKSA-N 1 2 245.319 0.144 20 0 BCADLO CC[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000035270404 171251398 /nfs/dbraw/zinc/25/13/98/171251398.db2.gz PNRSQQCHQHDDKN-JTQLQIEISA-N 1 2 214.309 0.481 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365764322 171253306 /nfs/dbraw/zinc/25/33/06/171253306.db2.gz LLSYJJLYFYPJCJ-XHNCKOQMSA-N 1 2 228.292 0.052 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1ncnn1CC ZINC000309343991 171315752 /nfs/dbraw/zinc/31/57/52/171315752.db2.gz VZVVKRZVUFPFLD-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1ncnn1CC ZINC000309343991 171315754 /nfs/dbraw/zinc/31/57/54/171315754.db2.gz VZVVKRZVUFPFLD-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084471 171325595 /nfs/dbraw/zinc/32/55/95/171325595.db2.gz BBHXMNDLDFNNOY-GARJFASQSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084471 171325596 /nfs/dbraw/zinc/32/55/96/171325596.db2.gz BBHXMNDLDFNNOY-GARJFASQSA-N 1 2 226.320 0.764 20 0 BCADLO O=C(CCCF)NCC[NH+]1CCOCC1 ZINC000665128743 412105741 /nfs/dbraw/zinc/10/57/41/412105741.db2.gz KOPCRGDJNSGRJX-UHFFFAOYSA-N 1 2 218.272 0.185 20 0 BCADLO C[C@]1(C(F)F)C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662372681 412130408 /nfs/dbraw/zinc/13/04/08/412130408.db2.gz VUINIXQBXWOJJV-GZMMTYOYSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@]1(C(F)F)C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662372681 412130411 /nfs/dbraw/zinc/13/04/11/412130411.db2.gz VUINIXQBXWOJJV-GZMMTYOYSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2cnccn2)CCO1 ZINC000390433661 412133736 /nfs/dbraw/zinc/13/37/36/412133736.db2.gz QVNYGKQMLGPGGU-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2cnccn2)CCO1 ZINC000390433661 412133743 /nfs/dbraw/zinc/13/37/43/412133743.db2.gz QVNYGKQMLGPGGU-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2ccc(F)cn2)CCO1 ZINC000557572474 412133934 /nfs/dbraw/zinc/13/39/34/412133934.db2.gz SCCAWDOBZUBAHB-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2ccc(F)cn2)CCO1 ZINC000557572474 412133941 /nfs/dbraw/zinc/13/39/41/412133941.db2.gz SCCAWDOBZUBAHB-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BCADLO Cn1ncc2c1nc(NCCCC1CC1)[nH+]c2N ZINC000562474012 412193130 /nfs/dbraw/zinc/19/31/30/412193130.db2.gz ZOEIKTCTXHHVSN-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BCADLO Cn1nccc1CNc1nc[nH+]c2c1OCCN2 ZINC000647855233 412197393 /nfs/dbraw/zinc/19/73/93/412197393.db2.gz YSDVGTLSPNUDNE-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO Cn1nccc1CNc1[nH+]cnc2c1OCCN2 ZINC000647855233 412197397 /nfs/dbraw/zinc/19/73/97/412197397.db2.gz YSDVGTLSPNUDNE-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO Cn1c[nH+]c(CCNc2ccc(C#N)nn2)c1 ZINC000396945452 412153718 /nfs/dbraw/zinc/15/37/18/412153718.db2.gz LGWBUWRXUIKOIS-UHFFFAOYSA-N 1 2 228.259 0.736 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC000396936673 412213697 /nfs/dbraw/zinc/21/36/97/412213697.db2.gz DVZKFUCTMLNKBX-SECBINFHSA-N 1 2 228.259 1.045 20 0 BCADLO Cn1c[nH+]cc1CNc1nnc(C(F)(F)F)o1 ZINC000428330558 412160107 /nfs/dbraw/zinc/16/01/07/412160107.db2.gz PKFIEWITKNCJOY-UHFFFAOYSA-N 1 2 247.180 1.434 20 0 BCADLO CNC(=O)CCNc1nc(C)[nH+]cc1C ZINC000583574824 412262822 /nfs/dbraw/zinc/26/28/22/412262822.db2.gz KLTALIXTQDSKBG-UHFFFAOYSA-N 1 2 208.265 0.641 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)CCCO1 ZINC000589604224 412266001 /nfs/dbraw/zinc/26/60/01/412266001.db2.gz SVXBZIRCXRTMFE-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)CCCO1 ZINC000589604224 412266006 /nfs/dbraw/zinc/26/60/06/412266006.db2.gz SVXBZIRCXRTMFE-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[C@H]1C[N@H+](CCNc2ncc(F)cn2)CCO1 ZINC000533010034 412266756 /nfs/dbraw/zinc/26/67/56/412266756.db2.gz OEAIENUFVKLUAN-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2ncc(F)cn2)CCO1 ZINC000533010034 412266757 /nfs/dbraw/zinc/26/67/57/412266757.db2.gz OEAIENUFVKLUAN-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCC(=O)N1 ZINC000413343902 412276478 /nfs/dbraw/zinc/27/64/78/412276478.db2.gz QSRGYVSUQJHBBJ-CYBMUJFWSA-N 1 2 246.314 1.435 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1C ZINC000531053010 412283334 /nfs/dbraw/zinc/28/33/34/412283334.db2.gz YFKIXPBUUWQOKJ-SECBINFHSA-N 1 2 238.291 0.296 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C ZINC000531053010 412283336 /nfs/dbraw/zinc/28/33/36/412283336.db2.gz YFKIXPBUUWQOKJ-SECBINFHSA-N 1 2 238.291 0.296 20 0 BCADLO CNc1nc(N(C)C[C@H](C)O)[nH+]c2ccccc21 ZINC000450540385 412305463 /nfs/dbraw/zinc/30/54/63/412305463.db2.gz PEVZUXJTPWSUPW-VIFPVBQESA-N 1 2 246.314 1.489 20 0 BCADLO Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)no1 ZINC000329790210 412366536 /nfs/dbraw/zinc/36/65/36/412366536.db2.gz SXALTPBGWCWIDO-UHFFFAOYSA-N 1 2 247.258 1.227 20 0 BCADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@H]1O ZINC000340575378 171666238 /nfs/dbraw/zinc/66/62/38/171666238.db2.gz SPDLRTWGTIFDHG-VHSXEESVSA-N 1 2 207.277 0.992 20 0 BCADLO CCCc1cc(NC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000554501029 412366740 /nfs/dbraw/zinc/36/67/40/412366740.db2.gz CMKDNYMBEJRTSI-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1cc(C2CC2)[nH]n1 ZINC000643169706 412325736 /nfs/dbraw/zinc/32/57/36/412325736.db2.gz WSHFVLFXNUANAS-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BCADLO CC(C)n1c[nH+]cc1CNc1nnco1 ZINC000424715595 412328548 /nfs/dbraw/zinc/32/85/48/412328548.db2.gz GPAJHZUHNBXNPO-UHFFFAOYSA-N 1 2 207.237 1.459 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC/C=C/CO)c1 ZINC000596423708 412331503 /nfs/dbraw/zinc/33/15/03/412331503.db2.gz OLKMYDBBVAOERZ-NSCUHMNNSA-N 1 2 236.271 0.758 20 0 BCADLO COC[C@@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000665474834 412332432 /nfs/dbraw/zinc/33/24/32/412332432.db2.gz HFOAKGWEXNMADS-SECBINFHSA-N 1 2 241.291 0.040 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000665495278 412337912 /nfs/dbraw/zinc/33/79/12/412337912.db2.gz KKOWGQJPQLUARB-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO Cc1cc(NC(=O)CCc2c[nH+]cn2C)nn1C ZINC000328797985 412343727 /nfs/dbraw/zinc/34/37/27/412343727.db2.gz WHXAPHXEYCNFIK-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BCADLO CNS(=O)(=O)CCNc1nc(C)[nH+]cc1C ZINC000514738848 412293106 /nfs/dbraw/zinc/29/31/06/412293106.db2.gz LMGMPXHBILKCJX-UHFFFAOYSA-N 1 2 244.320 0.055 20 0 BCADLO COCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000355626769 412374850 /nfs/dbraw/zinc/37/48/50/412374850.db2.gz JMMVQHKRYHZPCN-JTQLQIEISA-N 1 2 249.314 1.475 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@H]1COCC[N@@H+]1C ZINC000663217913 412393240 /nfs/dbraw/zinc/39/32/40/412393240.db2.gz OOORMOGMAFJBTO-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)N(CC)C(=O)[C@H]1COCC[N@H+]1C ZINC000663217913 412393243 /nfs/dbraw/zinc/39/32/43/412393243.db2.gz OOORMOGMAFJBTO-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCCN1CC(=O)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663227185 412395689 /nfs/dbraw/zinc/39/56/89/412395689.db2.gz IXUHSHIGPAKCGD-LBPRGKRZSA-N 1 2 234.303 0.670 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)C1CCC1 ZINC000316008388 412409973 /nfs/dbraw/zinc/40/99/73/412409973.db2.gz JTPXWUSSRQZBQF-JTQLQIEISA-N 1 2 247.302 0.936 20 0 BCADLO CCc1nc([C@H](C)N[C@@H]2C[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000329135766 172007461 /nfs/dbraw/zinc/00/74/61/172007461.db2.gz CJZQYDGYVGVRQD-LPEHRKFASA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000329135766 172007462 /nfs/dbraw/zinc/00/74/62/172007462.db2.gz CJZQYDGYVGVRQD-LPEHRKFASA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@H]2C[N@H+](C)C[C@H]2C)n[nH]1 ZINC000329135767 172007881 /nfs/dbraw/zinc/00/78/81/172007881.db2.gz CJZQYDGYVGVRQD-UTLUCORTSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000329135767 172007883 /nfs/dbraw/zinc/00/78/83/172007883.db2.gz CJZQYDGYVGVRQD-UTLUCORTSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nnc(C[N@H+](C)CCOCCOC)o1 ZINC000336726182 172047369 /nfs/dbraw/zinc/04/73/69/172047369.db2.gz VHJZAWBOGOMTFU-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCOCCOC)o1 ZINC000336726182 172047372 /nfs/dbraw/zinc/04/73/72/172047372.db2.gz VHJZAWBOGOMTFU-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CCc1nnc(C[N@H+](C)CC(C)(C)O)n1C ZINC000114728087 172048280 /nfs/dbraw/zinc/04/82/80/172048280.db2.gz GHJCDIOJSCAKKD-UHFFFAOYSA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC(C)(C)O)n1C ZINC000114728087 172048282 /nfs/dbraw/zinc/04/82/82/172048282.db2.gz GHJCDIOJSCAKKD-UHFFFAOYSA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)o1 ZINC000308748086 172049449 /nfs/dbraw/zinc/04/94/49/172049449.db2.gz LEDZUDMRPJNJEN-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)o1 ZINC000308748086 172049453 /nfs/dbraw/zinc/04/94/53/172049453.db2.gz LEDZUDMRPJNJEN-JGVFFNPUSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000372295250 172049851 /nfs/dbraw/zinc/04/98/51/172049851.db2.gz NPHQOFUZHCHBPD-VIFPVBQESA-N 1 2 236.319 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000372295250 172049852 /nfs/dbraw/zinc/04/98/52/172049852.db2.gz NPHQOFUZHCHBPD-VIFPVBQESA-N 1 2 236.319 0.334 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1C ZINC000195010751 172050849 /nfs/dbraw/zinc/05/08/49/172050849.db2.gz MASAYJYSSOBSFY-SECBINFHSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)C2)n1C ZINC000195010751 172050852 /nfs/dbraw/zinc/05/08/52/172050852.db2.gz MASAYJYSSOBSFY-SECBINFHSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1noc(C)c1C[N@H+](C)CC(N)=O ZINC000268187745 172075763 /nfs/dbraw/zinc/07/57/63/172075763.db2.gz UYWVXTSBXFQWIU-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCc1noc(C)c1C[N@@H+](C)CC(N)=O ZINC000268187745 172075765 /nfs/dbraw/zinc/07/57/65/172075765.db2.gz UYWVXTSBXFQWIU-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCc1nocc1C[N@H+](C)CC(=O)NC ZINC000293278880 172093100 /nfs/dbraw/zinc/09/31/00/172093100.db2.gz CKRMNZQEKSFRLP-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCc1nocc1C[N@@H+](C)CC(=O)NC ZINC000293278880 172093101 /nfs/dbraw/zinc/09/31/01/172093101.db2.gz CKRMNZQEKSFRLP-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCc1nocc1C[N@H+](C)CC(=O)N(C)C ZINC000293413424 172093856 /nfs/dbraw/zinc/09/38/56/172093856.db2.gz MQJREBVMIZBGLF-UHFFFAOYSA-N 1 2 225.292 0.757 20 0 BCADLO CCc1nocc1C[N@@H+](C)CC(=O)N(C)C ZINC000293413424 172093858 /nfs/dbraw/zinc/09/38/58/172093858.db2.gz MQJREBVMIZBGLF-UHFFFAOYSA-N 1 2 225.292 0.757 20 0 BCADLO CCc1ocnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000266071997 172122227 /nfs/dbraw/zinc/12/22/27/172122227.db2.gz WXJIJTMQDZAPFV-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000195010771 172139012 /nfs/dbraw/zinc/13/90/12/172139012.db2.gz QYRXUCIBYFKIBT-JTQLQIEISA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@H](O)C1 ZINC000195010771 172139013 /nfs/dbraw/zinc/13/90/13/172139013.db2.gz QYRXUCIBYFKIBT-JTQLQIEISA-N 1 2 224.308 0.563 20 0 BCADLO CCn1cc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000074400114 172153843 /nfs/dbraw/zinc/15/38/43/172153843.db2.gz PLSDCCRKCJQINP-UHFFFAOYSA-N 1 2 233.275 0.530 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000114336086 172155764 /nfs/dbraw/zinc/15/57/64/172155764.db2.gz YCMPNAIZMKYBMR-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1cc(CC[N@@H+]2CCN(C)C(=O)C2)cn1 ZINC000285035291 172159989 /nfs/dbraw/zinc/15/99/89/172159989.db2.gz NFMMLZFUCMCKIY-UHFFFAOYSA-N 1 2 236.319 0.220 20 0 BCADLO CCn1cc(CC[N@H+]2CCN(C)C(=O)C2)cn1 ZINC000285035291 172159990 /nfs/dbraw/zinc/15/99/90/172159990.db2.gz NFMMLZFUCMCKIY-UHFFFAOYSA-N 1 2 236.319 0.220 20 0 BCADLO CCn1cc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000127712540 172180760 /nfs/dbraw/zinc/18/07/60/172180760.db2.gz JMLOXJFHLFHRCN-UHFFFAOYSA-N 1 2 234.263 0.948 20 0 BCADLO CCn1ccnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291561464 172216371 /nfs/dbraw/zinc/21/63/71/172216371.db2.gz XZZYBKUEOZCLNA-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO CCn1ccnc1C[N@H+](CCO)CCOC ZINC000106385571 172220834 /nfs/dbraw/zinc/22/08/34/172220834.db2.gz BLEZIUUSFTYFCB-UHFFFAOYSA-N 1 2 227.308 0.344 20 0 BCADLO CCn1ccnc1C[N@@H+](CCO)CCOC ZINC000106385571 172220837 /nfs/dbraw/zinc/22/08/37/172220837.db2.gz BLEZIUUSFTYFCB-UHFFFAOYSA-N 1 2 227.308 0.344 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000284226022 172258837 /nfs/dbraw/zinc/25/88/37/172258837.db2.gz BGGGITCZOIOOFG-UHFFFAOYSA-N 1 2 236.319 0.220 20 0 BCADLO CCn1nccc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000284226022 172258839 /nfs/dbraw/zinc/25/88/39/172258839.db2.gz BGGGITCZOIOOFG-UHFFFAOYSA-N 1 2 236.319 0.220 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000276283862 172260625 /nfs/dbraw/zinc/26/06/25/172260625.db2.gz GJAMAFDQDNMCFR-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000276283862 172260627 /nfs/dbraw/zinc/26/06/27/172260627.db2.gz GJAMAFDQDNMCFR-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000179354528 172267103 /nfs/dbraw/zinc/26/71/03/172267103.db2.gz IFKDVRAPPRCVNE-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000179354528 172267106 /nfs/dbraw/zinc/26/71/06/172267106.db2.gz IFKDVRAPPRCVNE-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[NH2+]Cc1cc[nH]n1 ZINC000020349947 172270294 /nfs/dbraw/zinc/27/02/94/172270294.db2.gz MXQNWASYZPBPFN-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC[C@@H](C)O ZINC000186626695 172278152 /nfs/dbraw/zinc/27/81/52/172278152.db2.gz FWYBSLBFWMMHBY-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC[C@@H](C)O ZINC000186626695 172278154 /nfs/dbraw/zinc/27/81/54/172278154.db2.gz FWYBSLBFWMMHBY-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336682164 172279034 /nfs/dbraw/zinc/27/90/34/172279034.db2.gz BYCUCYSUAHGIOH-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336682164 172279035 /nfs/dbraw/zinc/27/90/35/172279035.db2.gz BYCUCYSUAHGIOH-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H](C)OC ZINC000353253842 172279482 /nfs/dbraw/zinc/27/94/82/172279482.db2.gz MPPURLQKKIHIJT-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H](C)OC ZINC000353253842 172279484 /nfs/dbraw/zinc/27/94/84/172279484.db2.gz MPPURLQKKIHIJT-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncnc1C[N@H+](C)CC[C@H](C)O ZINC000186626716 172279605 /nfs/dbraw/zinc/27/96/05/172279605.db2.gz FWYBSLBFWMMHBY-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CC[C@H](C)O ZINC000186626716 172279606 /nfs/dbraw/zinc/27/96/06/172279606.db2.gz FWYBSLBFWMMHBY-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1nncc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000329142988 172288918 /nfs/dbraw/zinc/28/89/18/172288918.db2.gz LRIAMIUZGBVHRD-UHFFFAOYSA-N 1 2 246.274 0.151 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000296711407 172382317 /nfs/dbraw/zinc/38/23/17/172382317.db2.gz NAYHWXITUBCLLF-JTQLQIEISA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000296711407 172382320 /nfs/dbraw/zinc/38/23/20/172382320.db2.gz NAYHWXITUBCLLF-JTQLQIEISA-N 1 2 239.275 0.947 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCCO1 ZINC000070819012 172926818 /nfs/dbraw/zinc/92/68/18/172926818.db2.gz GXNZUGSMONJWFX-SECBINFHSA-N 1 2 223.276 0.937 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000299596088 173026517 /nfs/dbraw/zinc/02/65/17/173026517.db2.gz WYQBQYBSXNPWIG-ZCFIWIBFSA-N 1 2 212.278 0.571 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000299596088 173026520 /nfs/dbraw/zinc/02/65/20/173026520.db2.gz WYQBQYBSXNPWIG-ZCFIWIBFSA-N 1 2 212.278 0.571 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000336468888 173068747 /nfs/dbraw/zinc/06/87/47/173068747.db2.gz CAMPMDDAQNBPTN-LBPRGKRZSA-N 1 2 240.347 0.702 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2OC[C@H]3CCC[C@@H]23)CC1 ZINC000368133197 173071100 /nfs/dbraw/zinc/07/11/00/173071100.db2.gz TXJOVRDTGBFTMN-IJLUTSLNSA-N 1 2 238.331 0.576 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000283086362 173071354 /nfs/dbraw/zinc/07/13/54/173071354.db2.gz UZQVNZYQXJJCLV-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000271276496 173074333 /nfs/dbraw/zinc/07/43/33/173074333.db2.gz MZGROERDJHQSOM-UHFFFAOYSA-N 1 2 245.286 0.346 20 0 BCADLO CN1CC[N@H+](CC2=CCCOC2)CC1=O ZINC000127396716 173080838 /nfs/dbraw/zinc/08/08/38/173080838.db2.gz VOFAFWOVCOVHPW-UHFFFAOYSA-N 1 2 210.277 0.107 20 0 BCADLO CN1CC[N@@H+](CC2=CCCOC2)CC1=O ZINC000127396716 173080842 /nfs/dbraw/zinc/08/08/42/173080842.db2.gz VOFAFWOVCOVHPW-UHFFFAOYSA-N 1 2 210.277 0.107 20 0 BCADLO CN1CC[N@H+](Cc2cccc(O)c2)CC1=O ZINC000127391829 173086896 /nfs/dbraw/zinc/08/68/96/173086896.db2.gz QUUTWIBHRFNMRA-UHFFFAOYSA-N 1 2 220.272 0.666 20 0 BCADLO CN1CC[N@@H+](Cc2cccc(O)c2)CC1=O ZINC000127391829 173086897 /nfs/dbraw/zinc/08/68/97/173086897.db2.gz QUUTWIBHRFNMRA-UHFFFAOYSA-N 1 2 220.272 0.666 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2=CCCCC2)C1 ZINC000336003680 173102175 /nfs/dbraw/zinc/10/21/75/173102175.db2.gz VJTJRRGNSSZZJN-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C2=CCCCC2)C1 ZINC000336003680 173102177 /nfs/dbraw/zinc/10/21/77/173102177.db2.gz VJTJRRGNSSZZJN-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1cccnc1 ZINC000266873359 173104414 /nfs/dbraw/zinc/10/44/14/173104414.db2.gz YAPLZJZYSNSOKQ-NSHDSACASA-N 1 2 235.287 0.375 20 0 BCADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccnc1 ZINC000266873359 173104416 /nfs/dbraw/zinc/10/44/16/173104416.db2.gz YAPLZJZYSNSOKQ-NSHDSACASA-N 1 2 235.287 0.375 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2cncc(Cl)n2)C1 ZINC000082643948 173108533 /nfs/dbraw/zinc/10/85/33/173108533.db2.gz FMURLEZTQXRXTF-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2cncc(Cl)n2)C1 ZINC000082643948 173108534 /nfs/dbraw/zinc/10/85/34/173108534.db2.gz FMURLEZTQXRXTF-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ncc(Cl)cn2)C1 ZINC000093537737 173108574 /nfs/dbraw/zinc/10/85/74/173108574.db2.gz YXCYJFAOZCVTCV-SECBINFHSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ncc(Cl)cn2)C1 ZINC000093537737 173108577 /nfs/dbraw/zinc/10/85/77/173108577.db2.gz YXCYJFAOZCVTCV-SECBINFHSA-N 1 2 242.710 0.873 20 0 BCADLO CN1CC[C@@H]([N@H+](CCO)Cc2cccnc2)C1=O ZINC000268725425 173120447 /nfs/dbraw/zinc/12/04/47/173120447.db2.gz WMTMOOVNJKEPIL-GFCCVEGCSA-N 1 2 249.314 0.107 20 0 BCADLO CN1CC[C@@H]([N@@H+](CCO)Cc2cccnc2)C1=O ZINC000268725425 173120450 /nfs/dbraw/zinc/12/04/50/173120450.db2.gz WMTMOOVNJKEPIL-GFCCVEGCSA-N 1 2 249.314 0.107 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccnn2C)C1=O ZINC000271201660 173148780 /nfs/dbraw/zinc/14/87/80/173148780.db2.gz PVKLAYBTMGRRTM-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccnn2C)C1=O ZINC000271201660 173148783 /nfs/dbraw/zinc/14/87/83/173148783.db2.gz PVKLAYBTMGRRTM-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000336617914 173149227 /nfs/dbraw/zinc/14/92/27/173149227.db2.gz HFFQFBHMWVBNDA-JTQLQIEISA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000336617914 173149229 /nfs/dbraw/zinc/14/92/29/173149229.db2.gz HFFQFBHMWVBNDA-JTQLQIEISA-N 1 2 208.261 0.942 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CCC[C@@H]3CO)c2C1 ZINC000264938620 173174127 /nfs/dbraw/zinc/17/41/27/173174127.db2.gz SGZUIJZCKJULSR-SNVBAGLBSA-N 1 2 248.330 0.426 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CCC[C@@H]3CO)c2C1 ZINC000264938620 173174128 /nfs/dbraw/zinc/17/41/28/173174128.db2.gz SGZUIJZCKJULSR-SNVBAGLBSA-N 1 2 248.330 0.426 20 0 BCADLO CN1C[C@@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000365819327 173188835 /nfs/dbraw/zinc/18/88/35/173188835.db2.gz IYCXUARRMJVKQH-GFCCVEGCSA-N 1 2 246.314 0.633 20 0 BCADLO CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000365819327 173188837 /nfs/dbraw/zinc/18/88/37/173188837.db2.gz IYCXUARRMJVKQH-GFCCVEGCSA-N 1 2 246.314 0.633 20 0 BCADLO CN1C[C@H]2C[N@H+](C/C=C/Cl)CCN2C1=O ZINC000370085140 173196929 /nfs/dbraw/zinc/19/69/29/173196929.db2.gz SDHTVEYHBUAWDB-HPOULIHZSA-N 1 2 229.711 0.791 20 0 BCADLO CN1C[C@H]2C[N@@H+](C/C=C/Cl)CCN2C1=O ZINC000370085140 173196932 /nfs/dbraw/zinc/19/69/32/173196932.db2.gz SDHTVEYHBUAWDB-HPOULIHZSA-N 1 2 229.711 0.791 20 0 BCADLO CNC(=O)C(C)(C)C[NH2+]Cc1ccn[nH]1 ZINC000120209965 173219918 /nfs/dbraw/zinc/21/99/18/173219918.db2.gz CCNMJCXOJOZOMC-UHFFFAOYSA-N 1 2 210.281 0.272 20 0 BCADLO CNC(=O)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000274263116 173227800 /nfs/dbraw/zinc/22/78/00/173227800.db2.gz MIWGAMJAKWEAQD-UHFFFAOYSA-N 1 2 232.287 0.536 20 0 BCADLO CNC(=O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000355380291 173232881 /nfs/dbraw/zinc/23/28/81/173232881.db2.gz VMJHGXDGLWEPKH-UHFFFAOYSA-N 1 2 246.270 0.946 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1ncc(C)cn1 ZINC000340896239 173249725 /nfs/dbraw/zinc/24/97/25/173249725.db2.gz NNJRGSQDADWUNJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1ncc(C)cn1 ZINC000340896239 173249730 /nfs/dbraw/zinc/24/97/30/173249730.db2.gz NNJRGSQDADWUNJ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1c(Cl)cnn1C ZINC000187163369 173249773 /nfs/dbraw/zinc/24/97/73/173249773.db2.gz JWXXLXMPHKNCRG-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000187163369 173249775 /nfs/dbraw/zinc/24/97/75/173249775.db2.gz JWXXLXMPHKNCRG-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cncc(F)c1 ZINC000280572513 173270324 /nfs/dbraw/zinc/27/03/24/173270324.db2.gz WERSOHHTLDNCPG-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cncc(F)c1 ZINC000280572513 173270326 /nfs/dbraw/zinc/27/03/26/173270326.db2.gz WERSOHHTLDNCPG-UHFFFAOYSA-N 1 2 211.240 0.399 20 0 BCADLO CNC(=O)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000340022947 173271606 /nfs/dbraw/zinc/27/16/06/173271606.db2.gz LTJQMEYAEDZFQO-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000340022947 173271609 /nfs/dbraw/zinc/27/16/09/173271609.db2.gz LTJQMEYAEDZFQO-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000304531829 173273354 /nfs/dbraw/zinc/27/33/54/173273354.db2.gz HAMUMBFYKNUCOZ-UHFFFAOYSA-N 1 2 240.225 0.122 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268442907 173273650 /nfs/dbraw/zinc/27/36/50/173273650.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268442907 173273651 /nfs/dbraw/zinc/27/36/51/173273651.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268442907 173273652 /nfs/dbraw/zinc/27/36/52/173273652.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268442907 173273653 /nfs/dbraw/zinc/27/36/53/173273653.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268442907 173273654 /nfs/dbraw/zinc/27/36/54/173273654.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268442907 173273655 /nfs/dbraw/zinc/27/36/55/173273655.db2.gz HJFADSQVMVBLDO-SECBINFHSA-N 1 2 237.307 0.039 20 0 BCADLO CNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000371584057 173273729 /nfs/dbraw/zinc/27/37/29/173273729.db2.gz PVYCCOBLWMFTQQ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000371584057 173273730 /nfs/dbraw/zinc/27/37/30/173273730.db2.gz PVYCCOBLWMFTQQ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000377491776 173273976 /nfs/dbraw/zinc/27/39/76/173273976.db2.gz DEXVPRUZCBERBQ-SECBINFHSA-N 1 2 238.291 0.303 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000377491776 173273977 /nfs/dbraw/zinc/27/39/77/173273977.db2.gz DEXVPRUZCBERBQ-SECBINFHSA-N 1 2 238.291 0.303 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000292680118 173274289 /nfs/dbraw/zinc/27/42/89/173274289.db2.gz CWIZOJFXOQNBCA-SECBINFHSA-N 1 2 208.265 0.293 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000292680118 173274290 /nfs/dbraw/zinc/27/42/90/173274290.db2.gz CWIZOJFXOQNBCA-SECBINFHSA-N 1 2 208.265 0.293 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000074448401 173274467 /nfs/dbraw/zinc/27/44/67/173274467.db2.gz DPCVUJPJOFRCFE-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO CNC(=O)C[N@H+]1CCc2c(cccc2OC)C1 ZINC000074448401 173274468 /nfs/dbraw/zinc/27/44/68/173274468.db2.gz DPCVUJPJOFRCFE-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335663540 173274639 /nfs/dbraw/zinc/27/46/39/173274639.db2.gz NKEZZQDAGQABBH-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335663540 173274640 /nfs/dbraw/zinc/27/46/40/173274640.db2.gz NKEZZQDAGQABBH-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360563133 173274753 /nfs/dbraw/zinc/27/47/53/173274753.db2.gz SFEMJSDEHFFKSZ-IUCAKERBSA-N 1 2 228.292 0.006 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360563133 173274754 /nfs/dbraw/zinc/27/47/54/173274754.db2.gz SFEMJSDEHFFKSZ-IUCAKERBSA-N 1 2 228.292 0.006 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000074448104 173274788 /nfs/dbraw/zinc/27/47/88/173274788.db2.gz XFRABVMLUGSOKC-UHFFFAOYSA-N 1 2 222.263 0.930 20 0 BCADLO CNC(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000074448104 173274789 /nfs/dbraw/zinc/27/47/89/173274789.db2.gz XFRABVMLUGSOKC-UHFFFAOYSA-N 1 2 222.263 0.930 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360563135 173275119 /nfs/dbraw/zinc/27/51/19/173275119.db2.gz SFEMJSDEHFFKSZ-RKDXNWHRSA-N 1 2 228.292 0.006 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360563135 173275120 /nfs/dbraw/zinc/27/51/20/173275120.db2.gz SFEMJSDEHFFKSZ-RKDXNWHRSA-N 1 2 228.292 0.006 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366582506 173275684 /nfs/dbraw/zinc/27/56/84/173275684.db2.gz BRKMQKNOPYMCTC-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366582506 173275685 /nfs/dbraw/zinc/27/56/85/173275685.db2.gz BRKMQKNOPYMCTC-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263865284 173284820 /nfs/dbraw/zinc/28/48/20/173284820.db2.gz WEIAYIDPCMNDAK-UHFFFAOYSA-N 1 2 208.265 0.929 20 0 BCADLO CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376427154 173285240 /nfs/dbraw/zinc/28/52/40/173285240.db2.gz NTGAZLCKFAZARA-VIFPVBQESA-N 1 2 222.292 0.939 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000271198835 173285372 /nfs/dbraw/zinc/28/53/72/173285372.db2.gz VKYXZCUMOJOSMY-UHFFFAOYSA-N 1 2 237.307 0.175 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000078787366 173285509 /nfs/dbraw/zinc/28/55/09/173285509.db2.gz RJOMUIDGFJSHPU-UHFFFAOYSA-N 1 2 234.303 0.539 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353165574 173286158 /nfs/dbraw/zinc/28/61/58/173286158.db2.gz AWLIKARWGZFTJO-SSDOTTSWSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353165574 173286159 /nfs/dbraw/zinc/28/61/59/173286159.db2.gz AWLIKARWGZFTJO-SSDOTTSWSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NC1C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000297524420 173289232 /nfs/dbraw/zinc/28/92/32/173289232.db2.gz YPKLEHOBUMSION-UHFFFAOYSA-N 1 2 237.307 0.140 20 0 BCADLO CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178790197 173291946 /nfs/dbraw/zinc/29/19/46/173291946.db2.gz ZAEWNRWTPKBRQS-SECBINFHSA-N 1 2 220.276 0.589 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1nccc(C)n1)C(C)C ZINC000341875061 173296752 /nfs/dbraw/zinc/29/67/52/173296752.db2.gz LTDICISHJACJEN-NSHDSACASA-N 1 2 236.319 0.645 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000271768177 173298734 /nfs/dbraw/zinc/29/87/34/173298734.db2.gz DSKSLFSIXWYINZ-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)cn1 ZINC000271768177 173298735 /nfs/dbraw/zinc/29/87/35/173298735.db2.gz DSKSLFSIXWYINZ-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cc(C)[nH+]cn1 ZINC000301496375 173301217 /nfs/dbraw/zinc/30/12/17/173301217.db2.gz TYPIXPGNFFNDMH-MRVPVSSYSA-N 1 2 222.292 0.603 20 0 BCADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1noc(C)n1 ZINC000081555320 173301581 /nfs/dbraw/zinc/30/15/81/173301581.db2.gz XFLMBWCXJGLVSZ-SSDOTTSWSA-N 1 2 226.280 0.192 20 0 BCADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1noc(C)n1 ZINC000081555320 173301582 /nfs/dbraw/zinc/30/15/82/173301582.db2.gz XFLMBWCXJGLVSZ-SSDOTTSWSA-N 1 2 226.280 0.192 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000125088909 173306680 /nfs/dbraw/zinc/30/66/80/173306680.db2.gz RAEGATXXEFXLOW-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000125088909 173306681 /nfs/dbraw/zinc/30/66/81/173306681.db2.gz RAEGATXXEFXLOW-QMMMGPOBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000170928551 173307045 /nfs/dbraw/zinc/30/70/45/173307045.db2.gz WMNHUJRWCVCLEQ-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000170928551 173307046 /nfs/dbraw/zinc/30/70/46/173307046.db2.gz WMNHUJRWCVCLEQ-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cncn1C ZINC000177268380 173307362 /nfs/dbraw/zinc/30/73/62/173307362.db2.gz MYPMLEJDENSPMI-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cncn1C ZINC000177268380 173307363 /nfs/dbraw/zinc/30/73/63/173307363.db2.gz MYPMLEJDENSPMI-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000309536961 173307713 /nfs/dbraw/zinc/30/77/13/173307713.db2.gz FEVHOHNYOQDIEQ-VHSXEESVSA-N 1 2 222.292 0.414 20 0 BCADLO CNC(=O)c1cccnc1NCCn1cc[nH+]c1 ZINC000302125133 173312262 /nfs/dbraw/zinc/31/22/62/173312262.db2.gz HZHUHDQZQQRTAF-UHFFFAOYSA-N 1 2 245.286 0.750 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332408311 173591571 /nfs/dbraw/zinc/59/15/71/173591571.db2.gz MPOCRDJZENQDNE-MRVPVSSYSA-N 1 2 225.248 0.340 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332408311 173591573 /nfs/dbraw/zinc/59/15/73/173591573.db2.gz MPOCRDJZENQDNE-MRVPVSSYSA-N 1 2 225.248 0.340 20 0 BCADLO COC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000357888363 174035246 /nfs/dbraw/zinc/03/52/46/174035246.db2.gz DSBMDKIBKMQOJK-UHFFFAOYSA-N 1 2 220.272 0.616 20 0 BCADLO COCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373062792 174040933 /nfs/dbraw/zinc/04/09/33/174040933.db2.gz HLFYCSXFCMYSAN-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO COCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373062791 174042259 /nfs/dbraw/zinc/04/22/59/174042259.db2.gz HLFYCSXFCMYSAN-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO COCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000070248315 174042803 /nfs/dbraw/zinc/04/28/03/174042803.db2.gz DABIBPZRQNKJBQ-UHFFFAOYSA-N 1 2 238.287 0.570 20 0 BCADLO COCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374362767 174042809 /nfs/dbraw/zinc/04/28/09/174042809.db2.gz GNZCFKYFDRDLEH-NSHDSACASA-N 1 2 235.287 0.201 20 0 BCADLO CC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662227628 487628127 /nfs/dbraw/zinc/62/81/27/487628127.db2.gz WZYBLXYEHCAHPV-UHFFFAOYSA-N 1 2 246.357 0.774 20 0 BCADLO CC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662227628 487628131 /nfs/dbraw/zinc/62/81/31/487628131.db2.gz WZYBLXYEHCAHPV-UHFFFAOYSA-N 1 2 246.357 0.774 20 0 BCADLO COCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374362766 174043526 /nfs/dbraw/zinc/04/35/26/174043526.db2.gz GNZCFKYFDRDLEH-LLVKDONJSA-N 1 2 235.287 0.201 20 0 BCADLO COCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374333088 174044556 /nfs/dbraw/zinc/04/45/56/174044556.db2.gz UAMWKDVDUWDODM-SECBINFHSA-N 1 2 223.276 0.382 20 0 BCADLO COCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366604109 174051385 /nfs/dbraw/zinc/05/13/85/174051385.db2.gz QMMHJCRFKGZPSK-SNVBAGLBSA-N 1 2 237.303 0.832 20 0 BCADLO COCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152335628 174057293 /nfs/dbraw/zinc/05/72/93/174057293.db2.gz KKLUPTIWAGASGH-JTQLQIEISA-N 1 2 235.287 0.423 20 0 BCADLO COCC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000331969410 174088768 /nfs/dbraw/zinc/08/87/68/174088768.db2.gz WDNSXWJLFIWFDE-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO COCC1(C)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000333335124 174091865 /nfs/dbraw/zinc/09/18/65/174091865.db2.gz RVDKMMDFVVDHCV-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO COCC1(O)C[NH+](Cc2ccsc2)C1 ZINC000297524286 174112665 /nfs/dbraw/zinc/11/26/65/174112665.db2.gz YMSNSHORDJTDCC-UHFFFAOYSA-N 1 2 213.302 0.941 20 0 BCADLO COCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC000336664573 174117580 /nfs/dbraw/zinc/11/75/80/174117580.db2.gz FXINWHPISXIJGZ-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO COCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC000336664573 174117582 /nfs/dbraw/zinc/11/75/82/174117582.db2.gz FXINWHPISXIJGZ-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO COCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000299576765 174211400 /nfs/dbraw/zinc/21/14/00/174211400.db2.gz CLRKWMYFJJPXMC-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO COCCC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000361636264 174218819 /nfs/dbraw/zinc/21/88/19/174218819.db2.gz MZNRUTPNBAYFFG-UHFFFAOYSA-N 1 2 241.339 0.896 20 0 BCADLO COCCC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000361636264 174218821 /nfs/dbraw/zinc/21/88/21/174218821.db2.gz MZNRUTPNBAYFFG-UHFFFAOYSA-N 1 2 241.339 0.896 20 0 BCADLO COCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000364592897 174225427 /nfs/dbraw/zinc/22/54/27/174225427.db2.gz USDLQGWGATXGRX-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000364592897 174225429 /nfs/dbraw/zinc/22/54/29/174225429.db2.gz USDLQGWGATXGRX-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000364592896 174225606 /nfs/dbraw/zinc/22/56/06/174225606.db2.gz USDLQGWGATXGRX-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000364592896 174225609 /nfs/dbraw/zinc/22/56/09/174225609.db2.gz USDLQGWGATXGRX-MRVPVSSYSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332388558 174235677 /nfs/dbraw/zinc/23/56/77/174235677.db2.gz HJYHYAUNRKCKMC-ZJUUUORDSA-N 1 2 240.307 0.603 20 0 BCADLO COCCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332388558 174235678 /nfs/dbraw/zinc/23/56/78/174235678.db2.gz HJYHYAUNRKCKMC-ZJUUUORDSA-N 1 2 240.307 0.603 20 0 BCADLO COCCCNC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077657804 174238643 /nfs/dbraw/zinc/23/86/43/174238643.db2.gz AGPIYSJKUFJIQP-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000122902059 174275034 /nfs/dbraw/zinc/27/50/34/174275034.db2.gz ARAADDBLIXSPPQ-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO COCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000122902059 174275036 /nfs/dbraw/zinc/27/50/36/174275036.db2.gz ARAADDBLIXSPPQ-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO COCC[N@H+](CC(N)=O)Cc1cccnc1 ZINC000116388695 174287949 /nfs/dbraw/zinc/28/79/49/174287949.db2.gz AFADXXNCHVBPFL-UHFFFAOYSA-N 1 2 223.276 0.015 20 0 BCADLO COCC[N@@H+](CC(N)=O)Cc1cccnc1 ZINC000116388695 174287951 /nfs/dbraw/zinc/28/79/51/174287951.db2.gz AFADXXNCHVBPFL-UHFFFAOYSA-N 1 2 223.276 0.015 20 0 BCADLO COCC[N@H+](CCO)Cc1[nH]ncc1C ZINC000290515370 174294668 /nfs/dbraw/zinc/29/46/68/174294668.db2.gz UELYBEOIDSYQOB-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO COCC[N@@H+](CCO)Cc1[nH]ncc1C ZINC000290515370 174294670 /nfs/dbraw/zinc/29/46/70/174294670.db2.gz UELYBEOIDSYQOB-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO COCC[N@H+](CCO)Cc1n[nH]cc1C ZINC000290515370 174294672 /nfs/dbraw/zinc/29/46/72/174294672.db2.gz UELYBEOIDSYQOB-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO COCC[N@@H+](CCO)Cc1n[nH]cc1C ZINC000290515370 174294673 /nfs/dbraw/zinc/29/46/73/174294673.db2.gz UELYBEOIDSYQOB-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO COCC[N@H+](Cc1cccnc1)[C@@H](C)C(N)=O ZINC000116399477 174300656 /nfs/dbraw/zinc/30/06/56/174300656.db2.gz NFEMPDXWCGWCQR-JTQLQIEISA-N 1 2 237.303 0.404 20 0 BCADLO COCC[N@@H+](Cc1cccnc1)[C@@H](C)C(N)=O ZINC000116399477 174300659 /nfs/dbraw/zinc/30/06/59/174300659.db2.gz NFEMPDXWCGWCQR-JTQLQIEISA-N 1 2 237.303 0.404 20 0 BCADLO COCC[N@H+](Cc1ccncc1)[C@H](C)C(N)=O ZINC000155625999 174301564 /nfs/dbraw/zinc/30/15/64/174301564.db2.gz DDEHJRRIAMSETN-SNVBAGLBSA-N 1 2 237.303 0.404 20 0 BCADLO COCC[N@@H+](Cc1ccncc1)[C@H](C)C(N)=O ZINC000155625999 174301566 /nfs/dbraw/zinc/30/15/66/174301566.db2.gz DDEHJRRIAMSETN-SNVBAGLBSA-N 1 2 237.303 0.404 20 0 BCADLO COCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000307546048 174315937 /nfs/dbraw/zinc/31/59/37/174315937.db2.gz YWUWDCYGKBYXTJ-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO COCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000307546048 174315938 /nfs/dbraw/zinc/31/59/38/174315938.db2.gz YWUWDCYGKBYXTJ-KKFJDGPESA-N 1 2 205.323 0.474 20 0 BCADLO COCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000307546049 174316229 /nfs/dbraw/zinc/31/62/29/174316229.db2.gz YWUWDCYGKBYXTJ-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO COCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000307546049 174316230 /nfs/dbraw/zinc/31/62/30/174316230.db2.gz YWUWDCYGKBYXTJ-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO COCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287796 174322353 /nfs/dbraw/zinc/32/23/53/174322353.db2.gz ISZNYXGIMHETNM-UHFFFAOYSA-N 1 2 233.271 0.639 20 0 BCADLO COCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000367819644 174323550 /nfs/dbraw/zinc/32/35/50/174323550.db2.gz DJHHEOOPKLPVLX-UHFFFAOYSA-N 1 2 238.291 0.363 20 0 BCADLO COCCNC(=O)NCCCn1cc[nH+]c1 ZINC000124917999 174323799 /nfs/dbraw/zinc/32/37/99/174323799.db2.gz CVPXGPGWVVCYHC-UHFFFAOYSA-N 1 2 226.280 0.219 20 0 BCADLO COCCOCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266153243 174347859 /nfs/dbraw/zinc/34/78/59/174347859.db2.gz LJYSBAGHWDPIIH-UHFFFAOYSA-N 1 2 249.270 0.936 20 0 BCADLO COCCOCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352450732 174354894 /nfs/dbraw/zinc/35/48/94/174354894.db2.gz SHMNTHHGUKXXPS-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO COCCOCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352450732 174354896 /nfs/dbraw/zinc/35/48/96/174354896.db2.gz SHMNTHHGUKXXPS-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO COCCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264833567 174357738 /nfs/dbraw/zinc/35/77/38/174357738.db2.gz JOIPXAYRJNRLHJ-UHFFFAOYSA-N 1 2 227.264 0.111 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000277416163 174366007 /nfs/dbraw/zinc/36/60/07/174366007.db2.gz HXQMQWCWJZYEHL-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000277416163 174366009 /nfs/dbraw/zinc/36/60/09/174366009.db2.gz HXQMQWCWJZYEHL-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000188812661 174366168 /nfs/dbraw/zinc/36/61/68/174366168.db2.gz HUOOGITYLJYREN-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000188812661 174366170 /nfs/dbraw/zinc/36/61/70/174366170.db2.gz HUOOGITYLJYREN-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000291574200 174366484 /nfs/dbraw/zinc/36/64/84/174366484.db2.gz OELAVTDIIBXJDS-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000291574200 174366485 /nfs/dbraw/zinc/36/64/85/174366485.db2.gz OELAVTDIIBXJDS-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000282011265 174389846 /nfs/dbraw/zinc/38/98/46/174389846.db2.gz XVQCOQSOAANVRG-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO COCC[C@@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000360596919 174391141 /nfs/dbraw/zinc/39/11/41/174391141.db2.gz OFRFOBSXBZOTDX-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO COCC[C@@H]1COCCN1Cc1[nH+]ccn1C ZINC000291044092 174398712 /nfs/dbraw/zinc/39/87/12/174398712.db2.gz HATSDMNAIHCERD-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccno1 ZINC000291348813 174399191 /nfs/dbraw/zinc/39/91/91/174399191.db2.gz XQUASRQMFDXGJI-SNVBAGLBSA-N 1 2 226.276 0.912 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1Cc1ccno1 ZINC000291348813 174399192 /nfs/dbraw/zinc/39/91/92/174399192.db2.gz XQUASRQMFDXGJI-SNVBAGLBSA-N 1 2 226.276 0.912 20 0 BCADLO COCC[C@]1([NH2+]Cc2csnn2)CCOC1 ZINC000309644641 174421260 /nfs/dbraw/zinc/42/12/60/174421260.db2.gz LWYPFXULVOLLID-JTQLQIEISA-N 1 2 243.332 0.823 20 0 BCADLO COC[C@@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000273330191 174522402 /nfs/dbraw/zinc/52/24/02/174522402.db2.gz QYFNZVGATCYSOG-LLVKDONJSA-N 1 2 241.291 0.051 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(N)=O)c1ccc(C)o1 ZINC000184652017 174583422 /nfs/dbraw/zinc/58/34/22/174583422.db2.gz OLZMFNWUBFDMCS-IUCAKERBSA-N 1 2 226.276 0.739 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331740798 174905268 /nfs/dbraw/zinc/90/52/68/174905268.db2.gz ANSVUSCXCLRMFE-RQJHMYQMSA-N 1 2 226.280 0.413 20 0 BCADLO COc1ccc(=O)n(Cc2c[nH+]ccc2OC)n1 ZINC000288663337 175050767 /nfs/dbraw/zinc/05/07/67/175050767.db2.gz RPYASDQFGSZBGE-UHFFFAOYSA-N 1 2 247.254 0.704 20 0 BCADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000360182502 175061221 /nfs/dbraw/zinc/06/12/21/175061221.db2.gz IGJSTXUGKIWZSH-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000360263013 175061380 /nfs/dbraw/zinc/06/13/80/175061380.db2.gz WMWDHWHFCLKGFH-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000360263013 175061381 /nfs/dbraw/zinc/06/13/81/175061381.db2.gz WMWDHWHFCLKGFH-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C2)cc1C ZINC000271015755 175099812 /nfs/dbraw/zinc/09/98/12/175099812.db2.gz RIADHENWQPPECF-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C2)cc1C ZINC000271015755 175099814 /nfs/dbraw/zinc/09/98/14/175099814.db2.gz RIADHENWQPPECF-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000121269122 175100243 /nfs/dbraw/zinc/10/02/43/175100243.db2.gz KPEJNIIMKXQFNE-UHFFFAOYSA-N 1 2 220.272 0.627 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000121269122 175100244 /nfs/dbraw/zinc/10/02/44/175100244.db2.gz KPEJNIIMKXQFNE-UHFFFAOYSA-N 1 2 220.272 0.627 20 0 BCADLO COc1ccc(C[NH+]2CCOCC2)cn1 ZINC000267176662 175101262 /nfs/dbraw/zinc/10/12/62/175101262.db2.gz DJISEXAVIMIHSP-UHFFFAOYSA-N 1 2 208.261 0.922 20 0 BCADLO COc1cc[nH+]c(CN(C)Cc2nnnn2C)c1 ZINC000341627073 175358057 /nfs/dbraw/zinc/35/80/57/175358057.db2.gz YYVCKWMBMZMLER-UHFFFAOYSA-N 1 2 248.290 0.246 20 0 BCADLO COc1ccnc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340222933 175358568 /nfs/dbraw/zinc/35/85/68/175358568.db2.gz ZMAWNRCGTVEJMW-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccnc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340222933 175358569 /nfs/dbraw/zinc/35/85/69/175358569.db2.gz ZMAWNRCGTVEJMW-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]c(CN(C)[C@@H]2CCNC2=O)c1 ZINC000340222933 175358570 /nfs/dbraw/zinc/35/85/70/175358570.db2.gz ZMAWNRCGTVEJMW-LLVKDONJSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)[C@H]2C)c1 ZINC000106934165 175359025 /nfs/dbraw/zinc/35/90/25/175359025.db2.gz VDMQGAOGPOMKST-SECBINFHSA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C1(O)CCC1 ZINC000294676492 175370411 /nfs/dbraw/zinc/37/04/11/175370411.db2.gz SNUSVYFWBBYMHN-UHFFFAOYSA-N 1 2 236.271 0.621 20 0 BCADLO COc1ccncc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000376555307 175370875 /nfs/dbraw/zinc/37/08/75/175370875.db2.gz VBGNZSBUZINRNB-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccncc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000376555307 175370877 /nfs/dbraw/zinc/37/08/77/175370877.db2.gz VBGNZSBUZINRNB-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cn(C)cn1 ZINC000294601605 175371350 /nfs/dbraw/zinc/37/13/50/175371350.db2.gz NFETXQUWNZSZOD-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO COc1cnc(C(=O)NCCn2cc[nH+]c2)nc1 ZINC000338891728 175381431 /nfs/dbraw/zinc/38/14/31/175381431.db2.gz IMFYDJDWFFLFQS-UHFFFAOYSA-N 1 2 247.258 0.112 20 0 BCADLO COc1cncc(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000290300851 175384246 /nfs/dbraw/zinc/38/42/46/175384246.db2.gz NNWDXNQEVOSZOO-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cncc(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000290300851 175384247 /nfs/dbraw/zinc/38/42/47/175384247.db2.gz NNWDXNQEVOSZOO-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364424549 175958708 /nfs/dbraw/zinc/95/87/08/175958708.db2.gz WNPNDHCVNKLGMS-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H](NC(=O)N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000104774476 176011365 /nfs/dbraw/zinc/01/13/65/176011365.db2.gz NAAGNGYJSRSNFW-ZJUUUORDSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCN(C)C(=O)C1 ZINC000177268047 176027508 /nfs/dbraw/zinc/02/75/08/176027508.db2.gz PDCYCLCGNGNQQE-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCN(C)C(=O)C1 ZINC000177268047 176027509 /nfs/dbraw/zinc/02/75/09/176027509.db2.gz PDCYCLCGNGNQQE-JTQLQIEISA-N 1 2 219.288 0.917 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000184607204 176037034 /nfs/dbraw/zinc/03/70/34/176037034.db2.gz KXYZGULRMFCZHA-VHSXEESVSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000184607204 176037037 /nfs/dbraw/zinc/03/70/37/176037037.db2.gz KXYZGULRMFCZHA-VHSXEESVSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCn1cccn1 ZINC000189265728 176040503 /nfs/dbraw/zinc/04/05/03/176040503.db2.gz ZUOBRCFMVJKQBN-VIFPVBQESA-N 1 2 235.295 0.100 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCn1cccn1 ZINC000189265728 176040504 /nfs/dbraw/zinc/04/05/04/176040504.db2.gz ZUOBRCFMVJKQBN-VIFPVBQESA-N 1 2 235.295 0.100 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000361869033 176040642 /nfs/dbraw/zinc/04/06/42/176040642.db2.gz QPBBLGPTSRUEHA-WEDXCCLWSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000361869033 176040644 /nfs/dbraw/zinc/04/06/44/176040644.db2.gz QPBBLGPTSRUEHA-WEDXCCLWSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCOCC2(CC2)C1 ZINC000367851138 176041014 /nfs/dbraw/zinc/04/10/14/176041014.db2.gz XIXPVDJRUWFJHG-JTQLQIEISA-N 1 2 236.319 0.989 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCOCC2(CC2)C1 ZINC000367851138 176041016 /nfs/dbraw/zinc/04/10/16/176041016.db2.gz XIXPVDJRUWFJHG-JTQLQIEISA-N 1 2 236.319 0.989 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCC(N)=O ZINC000331807678 176041218 /nfs/dbraw/zinc/04/12/18/176041218.db2.gz WWYQQHSUTKCCAY-ZETCQYMHSA-N 1 2 238.295 0.926 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCC(N)=O ZINC000331807678 176041220 /nfs/dbraw/zinc/04/12/20/176041220.db2.gz WWYQQHSUTKCCAY-ZETCQYMHSA-N 1 2 238.295 0.926 20 0 BCADLO C[C@@H]1C(=O)N([C@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000329174505 176044630 /nfs/dbraw/zinc/04/46/30/176044630.db2.gz LXHFLUOIQBVJAQ-BDAKNGLRSA-N 1 2 248.286 0.480 20 0 BCADLO C[C@@H]1C(=O)NCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283158951 176045519 /nfs/dbraw/zinc/04/55/19/176045519.db2.gz OWJZLQYZFONYPJ-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000151241074 176181077 /nfs/dbraw/zinc/18/10/77/176181077.db2.gz MIDPSTOTYPCLRY-ZJUUUORDSA-N 1 2 243.332 0.726 20 0 BCADLO COCC1([N@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000678721521 487633179 /nfs/dbraw/zinc/63/31/79/487633179.db2.gz GXIZRAHTXKDDPB-UHFFFAOYSA-N 1 2 212.253 0.121 20 0 BCADLO COCC1([N@@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000678721521 487633183 /nfs/dbraw/zinc/63/31/83/487633183.db2.gz GXIZRAHTXKDDPB-UHFFFAOYSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308411 176191446 /nfs/dbraw/zinc/19/14/46/176191446.db2.gz NZLLZLXZMXUURC-LNLATYFQSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308411 176191448 /nfs/dbraw/zinc/19/14/48/176191448.db2.gz NZLLZLXZMXUURC-LNLATYFQSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000357849186 176258448 /nfs/dbraw/zinc/25/84/48/176258448.db2.gz JTTJVEUXSMUJFU-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)CC[NH2+]1 ZINC000188457493 176258648 /nfs/dbraw/zinc/25/86/48/176258648.db2.gz VMOXKKBJIACMKL-ZJUUUORDSA-N 1 2 248.330 0.650 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1CCN1CCCC1=O ZINC000336700002 176266687 /nfs/dbraw/zinc/26/66/87/176266687.db2.gz KBEHHIRMMAYESW-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1CCN1CCCC1=O ZINC000336700002 176266689 /nfs/dbraw/zinc/26/66/89/176266689.db2.gz KBEHHIRMMAYESW-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307940008 176267248 /nfs/dbraw/zinc/26/72/48/176267248.db2.gz VRVUZTUCXCTNHI-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307940008 176267249 /nfs/dbraw/zinc/26/72/49/176267249.db2.gz VRVUZTUCXCTNHI-BDAKNGLRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@H+](CCCCO)CC[S@@]1=O ZINC000336649654 176287897 /nfs/dbraw/zinc/28/78/97/176287897.db2.gz HISOTOIQUMUTCA-RNCFNFMXSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@@H]1C[N@@H+](CCCCO)CC[S@@]1=O ZINC000336649654 176287898 /nfs/dbraw/zinc/28/78/98/176287898.db2.gz HISOTOIQUMUTCA-RNCFNFMXSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@@H]1C[N@H+](CCN(C)Cc2ccon2)CCO1 ZINC000337210580 176290599 /nfs/dbraw/zinc/29/05/99/176290599.db2.gz CRYGTKSYWMPFBJ-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1C[N@@H+](CCN(C)Cc2ccon2)CCO1 ZINC000337210580 176290601 /nfs/dbraw/zinc/29/06/01/176290601.db2.gz CRYGTKSYWMPFBJ-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@@H](F)C2)CCO1 ZINC000336263010 176290621 /nfs/dbraw/zinc/29/06/21/176290621.db2.gz MNPAWAGXDSJBLV-GHMZBOCLSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H](F)C2)CCO1 ZINC000336263010 176290622 /nfs/dbraw/zinc/29/06/22/176290622.db2.gz MNPAWAGXDSJBLV-GHMZBOCLSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCC(=O)[C@H](C)C2)CCO1 ZINC000338573287 176291280 /nfs/dbraw/zinc/29/12/80/176291280.db2.gz UJTURXWJYVJJNH-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCC(=O)[C@H](C)C2)CCO1 ZINC000338573287 176291281 /nfs/dbraw/zinc/29/12/81/176291281.db2.gz UJTURXWJYVJJNH-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCC(=O)[C@H](C)C2)CCO1 ZINC000338573287 176291282 /nfs/dbraw/zinc/29/12/82/176291282.db2.gz UJTURXWJYVJJNH-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCC(=O)[C@H](C)C2)CCO1 ZINC000338573287 176291283 /nfs/dbraw/zinc/29/12/83/176291283.db2.gz UJTURXWJYVJJNH-VXGBXAGGSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cccn2)CCC1=O ZINC000229505664 176296039 /nfs/dbraw/zinc/29/60/39/176296039.db2.gz PUYYSVLHWNEOBA-SNVBAGLBSA-N 1 2 207.277 0.794 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cccn2)CCC1=O ZINC000229505664 176296040 /nfs/dbraw/zinc/29/60/40/176296040.db2.gz PUYYSVLHWNEOBA-SNVBAGLBSA-N 1 2 207.277 0.794 20 0 BCADLO C[C@@H]1C[N@H+](CCn2ccnc2)CCC1=O ZINC000229509166 176296552 /nfs/dbraw/zinc/29/65/52/176296552.db2.gz CAESTFMKKQVHJR-SNVBAGLBSA-N 1 2 207.277 0.794 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2ccnc2)CCC1=O ZINC000229509166 176296554 /nfs/dbraw/zinc/29/65/54/176296554.db2.gz CAESTFMKKQVHJR-SNVBAGLBSA-N 1 2 207.277 0.794 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)CCC1=O ZINC000229509166 176296555 /nfs/dbraw/zinc/29/65/55/176296555.db2.gz CAESTFMKKQVHJR-SNVBAGLBSA-N 1 2 207.277 0.794 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC(=O)N1 ZINC000336236505 176300617 /nfs/dbraw/zinc/30/06/17/176300617.db2.gz TWOBWTFJQDLJKG-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC(=O)N1 ZINC000336236505 176300618 /nfs/dbraw/zinc/30/06/18/176300618.db2.gz TWOBWTFJQDLJKG-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2C2CC2)[nH]1 ZINC000678715221 487633350 /nfs/dbraw/zinc/63/33/50/487633350.db2.gz GSQRNUROBBDQHO-QMMMGPOBSA-N 1 2 208.265 0.885 20 0 BCADLO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319900 176302376 /nfs/dbraw/zinc/30/23/76/176302376.db2.gz TYUZAMAWFIRMMX-RISCZKNCSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319900 176302377 /nfs/dbraw/zinc/30/23/77/176302377.db2.gz TYUZAMAWFIRMMX-RISCZKNCSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC(=O)N1C ZINC000282052839 176302950 /nfs/dbraw/zinc/30/29/50/176302950.db2.gz GMVFQPOTMSUWSN-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC(=O)N1C ZINC000282052839 176302951 /nfs/dbraw/zinc/30/29/51/176302951.db2.gz GMVFQPOTMSUWSN-LLVKDONJSA-N 1 2 248.326 0.841 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2C2CC2)[nH]1 ZINC000678715221 487633356 /nfs/dbraw/zinc/63/33/56/487633356.db2.gz GSQRNUROBBDQHO-QMMMGPOBSA-N 1 2 208.265 0.885 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC(=O)N1 ZINC000294711964 176306025 /nfs/dbraw/zinc/30/60/25/176306025.db2.gz BXVRMFJFSCNRAV-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC(=O)N1 ZINC000294711964 176306027 /nfs/dbraw/zinc/30/60/27/176306027.db2.gz BXVRMFJFSCNRAV-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2)CC(=O)N1C ZINC000282388269 176306863 /nfs/dbraw/zinc/30/68/63/176306863.db2.gz XHBMTHXOGRYCOM-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2)CC(=O)N1C ZINC000282388269 176306865 /nfs/dbraw/zinc/30/68/65/176306865.db2.gz XHBMTHXOGRYCOM-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)CC(=O)N1C ZINC000282691086 176306909 /nfs/dbraw/zinc/30/69/09/176306909.db2.gz IYQCKGBJFOSISQ-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)CC(=O)N1C ZINC000282691086 176306912 /nfs/dbraw/zinc/30/69/12/176306912.db2.gz IYQCKGBJFOSISQ-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)CC(=O)N1C ZINC000282180431 176309168 /nfs/dbraw/zinc/30/91/68/176309168.db2.gz MUBPQCUFHLIVOQ-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CC(=O)N1C ZINC000282180431 176309170 /nfs/dbraw/zinc/30/91/70/176309170.db2.gz MUBPQCUFHLIVOQ-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CCC1=O ZINC000229509646 176311164 /nfs/dbraw/zinc/31/11/64/176311164.db2.gz JZFDBWINZZEDQF-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1O ZINC000338278967 176311549 /nfs/dbraw/zinc/31/15/49/176311549.db2.gz IBJSBSNWDKYOLQ-ZJUUUORDSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1O ZINC000338278967 176311551 /nfs/dbraw/zinc/31/15/51/176311551.db2.gz IBJSBSNWDKYOLQ-ZJUUUORDSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130267 176311784 /nfs/dbraw/zinc/31/17/84/176311784.db2.gz APJWFUFKNLRRHV-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130267 176311785 /nfs/dbraw/zinc/31/17/85/176311785.db2.gz APJWFUFKNLRRHV-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CCCO1 ZINC000328597867 176313341 /nfs/dbraw/zinc/31/33/41/176313341.db2.gz AQSJOOZIQVFMCY-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CCCO1 ZINC000328597867 176313343 /nfs/dbraw/zinc/31/33/43/176313343.db2.gz AQSJOOZIQVFMCY-SECBINFHSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC000341281237 176313470 /nfs/dbraw/zinc/31/34/70/176313470.db2.gz LZBZVHZWNJZHSL-RKDXNWHRSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC000341281237 176313471 /nfs/dbraw/zinc/31/34/71/176313471.db2.gz LZBZVHZWNJZHSL-RKDXNWHRSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCO ZINC000367424808 176320370 /nfs/dbraw/zinc/32/03/70/176320370.db2.gz WSRKJAPCINNONF-GHMZBOCLSA-N 1 2 249.314 0.262 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1CO ZINC000277792512 176321735 /nfs/dbraw/zinc/32/17/35/176321735.db2.gz MVAMMUMFMLTGND-RQJHMYQMSA-N 1 2 242.710 0.777 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1CO ZINC000277792512 176321737 /nfs/dbraw/zinc/32/17/37/176321737.db2.gz MVAMMUMFMLTGND-RQJHMYQMSA-N 1 2 242.710 0.777 20 0 BCADLO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc2n[nH]cc21 ZINC000261732382 176327030 /nfs/dbraw/zinc/32/70/30/176327030.db2.gz AGGSLVSRQOBBOV-SECBINFHSA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC1(C)C ZINC000337354648 176336079 /nfs/dbraw/zinc/33/60/79/176336079.db2.gz BOLOSLVYIPIFLG-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC1(C)C ZINC000337354648 176336080 /nfs/dbraw/zinc/33/60/80/176336080.db2.gz BOLOSLVYIPIFLG-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN(C)CC(F)F ZINC000337145188 176336629 /nfs/dbraw/zinc/33/66/29/176336629.db2.gz XDDISDNCQZZVNG-SECBINFHSA-N 1 2 222.279 0.904 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN(C)CC(F)F ZINC000337145188 176336631 /nfs/dbraw/zinc/33/66/31/176336631.db2.gz XDDISDNCQZZVNG-SECBINFHSA-N 1 2 222.279 0.904 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050813579 176337782 /nfs/dbraw/zinc/33/77/82/176337782.db2.gz FWPUXPHCKITXHN-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1ccc(N)nc1 ZINC000050813579 176337784 /nfs/dbraw/zinc/33/77/84/176337784.db2.gz FWPUXPHCKITXHN-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000282097383 176364775 /nfs/dbraw/zinc/36/47/75/176364775.db2.gz IKMUYAPXDMPYHO-KKZNHRDASA-N 1 2 237.303 0.850 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2[nH]cc[nH+]2)O1 ZINC000282435694 176366680 /nfs/dbraw/zinc/36/66/80/176366680.db2.gz DOODLSLNEIMARS-NQMVMOMDSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359017599 176391999 /nfs/dbraw/zinc/39/19/99/176391999.db2.gz CKCVZMXWJKSWMK-NQMVMOMDSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@@H]1C[C@@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359017599 176392001 /nfs/dbraw/zinc/39/20/01/176392001.db2.gz CKCVZMXWJKSWMK-NQMVMOMDSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000043311514 176393637 /nfs/dbraw/zinc/39/36/37/176393637.db2.gz HLQNBQWDYXHZJP-NXEZZACHSA-N 1 2 222.292 0.838 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280897268 176402272 /nfs/dbraw/zinc/40/22/72/176402272.db2.gz HHQDUYBVBCHCDY-YWVKMMECSA-N 1 2 236.319 0.547 20 0 BCADLO C[C@@](O)(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000359020482 176514724 /nfs/dbraw/zinc/51/47/24/176514724.db2.gz QIPXHHQTELBQGJ-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276503563 176674935 /nfs/dbraw/zinc/67/49/35/176674935.db2.gz JTRUYMJGXIRCKN-RKDXNWHRSA-N 1 2 211.265 0.016 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000331056136 176791492 /nfs/dbraw/zinc/79/14/92/176791492.db2.gz PPCXWZVRMURXFQ-UWVGGRQHSA-N 1 2 239.319 0.486 20 0 BCADLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894621 177014585 /nfs/dbraw/zinc/01/45/85/177014585.db2.gz FBMWTXCNTIYSAI-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340894621 177014587 /nfs/dbraw/zinc/01/45/87/177014587.db2.gz FBMWTXCNTIYSAI-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](Oc1cccnc1)C(=O)N1CC[NH+](C)CC1 ZINC000265589535 177025300 /nfs/dbraw/zinc/02/53/00/177025300.db2.gz RHRWWKDPAAMFIX-NSHDSACASA-N 1 2 249.314 0.623 20 0 BCADLO C[C@H](c1ccco1)[N@H+](C)CCNS(C)(=O)=O ZINC000107299854 177047681 /nfs/dbraw/zinc/04/76/81/177047681.db2.gz CYCKLWTUEFYBPM-SECBINFHSA-N 1 2 246.332 0.822 20 0 BCADLO C[C@H](c1ccco1)[N@@H+](C)CCNS(C)(=O)=O ZINC000107299854 177047683 /nfs/dbraw/zinc/04/76/83/177047683.db2.gz CYCKLWTUEFYBPM-SECBINFHSA-N 1 2 246.332 0.822 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248617604 177051340 /nfs/dbraw/zinc/05/13/40/177051340.db2.gz KXYZGULRMFCZHA-ZJUUUORDSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248617604 177051341 /nfs/dbraw/zinc/05/13/41/177051341.db2.gz KXYZGULRMFCZHA-ZJUUUORDSA-N 1 2 247.302 0.247 20 0 BCADLO C[C@H](c1cnccn1)[N@H+](C)CC(=O)NC1CC1 ZINC000184425962 177051630 /nfs/dbraw/zinc/05/16/30/177051630.db2.gz LXRWJLDSVRUKOT-SECBINFHSA-N 1 2 234.303 0.748 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+](C)CC(=O)NC1CC1 ZINC000184425962 177051633 /nfs/dbraw/zinc/05/16/33/177051633.db2.gz LXRWJLDSVRUKOT-SECBINFHSA-N 1 2 234.303 0.748 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000290284289 177059041 /nfs/dbraw/zinc/05/90/41/177059041.db2.gz MJPYLQXMWPZDTE-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000290284289 177059042 /nfs/dbraw/zinc/05/90/42/177059042.db2.gz MJPYLQXMWPZDTE-AAEUAGOBSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCN(C)c1ccccc1 ZINC000131360494 177059744 /nfs/dbraw/zinc/05/97/44/177059744.db2.gz IFROLNBKLBVSFC-LBPRGKRZSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCN(C)c1ccccc1 ZINC000131360494 177059745 /nfs/dbraw/zinc/05/97/45/177059745.db2.gz IFROLNBKLBVSFC-LBPRGKRZSA-N 1 2 247.342 0.943 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000372385855 177062702 /nfs/dbraw/zinc/06/27/02/177062702.db2.gz RNFMHPOYBGEOFA-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NC(C)(C)C ZINC000372385855 177062703 /nfs/dbraw/zinc/06/27/03/177062703.db2.gz RNFMHPOYBGEOFA-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H]1CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000336646201 177062753 /nfs/dbraw/zinc/06/27/53/177062753.db2.gz JRWBCPCRTUWCFA-ZETCQYMHSA-N 1 2 207.233 0.315 20 0 BCADLO C[C@H]1CC(NC(=O)CCc2[nH]cc[nH+]2)=NO1 ZINC000287727542 177064356 /nfs/dbraw/zinc/06/43/56/177064356.db2.gz OEXQEPLYEBFJPP-ZETCQYMHSA-N 1 2 222.248 0.581 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000264098309 177150226 /nfs/dbraw/zinc/15/02/26/177150226.db2.gz FIIXWWDFLPMMOH-VIFPVBQESA-N 1 2 222.292 0.972 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)C[C@@H]1O ZINC000306303527 177167811 /nfs/dbraw/zinc/16/78/11/177167811.db2.gz FXZNWSSYBFBLAI-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1O ZINC000306303527 177167812 /nfs/dbraw/zinc/16/78/12/177167812.db2.gz FXZNWSSYBFBLAI-CBAPKCEASA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2CCF)[C@@H]1CO ZINC000332686532 177168403 /nfs/dbraw/zinc/16/84/03/177168403.db2.gz UPEWSWUNCABXLI-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2CCF)[C@@H]1CO ZINC000332686532 177168405 /nfs/dbraw/zinc/16/84/05/177168405.db2.gz UPEWSWUNCABXLI-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccon1 ZINC000193656902 177174767 /nfs/dbraw/zinc/17/47/67/177174767.db2.gz UWVRRZTUSSHGEJ-CBAPKCEASA-N 1 2 209.249 0.289 20 0 BCADLO C[C@H]1CCOCCN1C(=O)CCn1cc[nH+]c1 ZINC000362234615 177176187 /nfs/dbraw/zinc/17/61/87/177176187.db2.gz FWYFPTAKORHUDR-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H]1CCOCCN1c1[nH+]cnc2c1cnn2C ZINC000302004958 177177582 /nfs/dbraw/zinc/17/75/82/177177582.db2.gz UCEAZBITVQQMLH-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321408 177189367 /nfs/dbraw/zinc/18/93/67/177189367.db2.gz SZFPOPGRNZQZSK-JQWIXIFHSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321408 177189368 /nfs/dbraw/zinc/18/93/68/177189368.db2.gz SZFPOPGRNZQZSK-JQWIXIFHSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2nncn2C)O1 ZINC000336679811 177201126 /nfs/dbraw/zinc/20/11/26/177201126.db2.gz XDRWZMJFSZKHLP-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2nncn2C)O1 ZINC000336679811 177201128 /nfs/dbraw/zinc/20/11/28/177201128.db2.gz XDRWZMJFSZKHLP-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321407 177201789 /nfs/dbraw/zinc/20/17/89/177201789.db2.gz SZFPOPGRNZQZSK-CMPLNLGQSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321407 177201791 /nfs/dbraw/zinc/20/17/91/177201791.db2.gz SZFPOPGRNZQZSK-CMPLNLGQSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000357849187 177224922 /nfs/dbraw/zinc/22/49/22/177224922.db2.gz JTTJVEUXSMUJFU-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1CN(C(=O)c2ncccc2O)CC[N@@H+]1C ZINC000104144551 177231885 /nfs/dbraw/zinc/23/18/85/177231885.db2.gz QEYGBZPWTYFVGO-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO C[C@H]1CN(C(=O)c2ncccc2O)CC[N@H+]1C ZINC000104144551 177231886 /nfs/dbraw/zinc/23/18/86/177231886.db2.gz QEYGBZPWTYFVGO-VIFPVBQESA-N 1 2 235.287 0.563 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000369406752 177243311 /nfs/dbraw/zinc/24/33/11/177243311.db2.gz CQXUGQMTEJAYGX-JOYOIKCWSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000369406752 177243313 /nfs/dbraw/zinc/24/33/13/177243313.db2.gz CQXUGQMTEJAYGX-JOYOIKCWSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1O ZINC000351816223 177244170 /nfs/dbraw/zinc/24/41/70/177244170.db2.gz YMJWKAWYQFGXIV-JGVFFNPUSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1O ZINC000351816223 177244171 /nfs/dbraw/zinc/24/41/71/177244171.db2.gz YMJWKAWYQFGXIV-JGVFFNPUSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@H]1C[N@H+](CCC(F)(F)F)CC(=O)N1 ZINC000336296507 177246925 /nfs/dbraw/zinc/24/69/25/177246925.db2.gz SOCWYLGDXAROIO-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CC(=O)N1 ZINC000336296507 177246926 /nfs/dbraw/zinc/24/69/26/177246926.db2.gz SOCWYLGDXAROIO-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[C@H]1C[N@H+](CCCCO)CC[S@@]1=O ZINC000336649656 177247473 /nfs/dbraw/zinc/24/74/73/177247473.db2.gz HISOTOIQUMUTCA-ZANVPECISA-N 1 2 205.323 0.212 20 0 BCADLO C[C@H]1C[N@@H+](CCCCO)CC[S@@]1=O ZINC000336649656 177247475 /nfs/dbraw/zinc/24/74/75/177247475.db2.gz HISOTOIQUMUTCA-ZANVPECISA-N 1 2 205.323 0.212 20 0 BCADLO C[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319901 177257205 /nfs/dbraw/zinc/25/72/05/177257205.db2.gz TYUZAMAWFIRMMX-SMDDNHRTSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319901 177257207 /nfs/dbraw/zinc/25/72/07/177257207.db2.gz TYUZAMAWFIRMMX-SMDDNHRTSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000296360462 177257904 /nfs/dbraw/zinc/25/79/04/177257904.db2.gz WSYLQLCRMFIVPF-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000296360462 177257906 /nfs/dbraw/zinc/25/79/06/177257906.db2.gz WSYLQLCRMFIVPF-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC(=O)N1C ZINC000282451293 177258147 /nfs/dbraw/zinc/25/81/47/177258147.db2.gz ZVKNIISMDCHHSF-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC(=O)N1C ZINC000282451293 177258148 /nfs/dbraw/zinc/25/81/48/177258148.db2.gz ZVKNIISMDCHHSF-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCC=CO2)CC(=O)N1 ZINC000294972860 177259532 /nfs/dbraw/zinc/25/95/32/177259532.db2.gz JEKQNDCPAFYDCI-VHSXEESVSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CC(=O)N1 ZINC000294972860 177259533 /nfs/dbraw/zinc/25/95/33/177259533.db2.gz JEKQNDCPAFYDCI-VHSXEESVSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1C[N@H+](Cc2csnn2)CC[C@H]1O ZINC000306193817 177271163 /nfs/dbraw/zinc/27/11/63/177271163.db2.gz UZSWSQNULUEESN-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@@H+](Cc2csnn2)CC[C@H]1O ZINC000306193817 177271165 /nfs/dbraw/zinc/27/11/65/177271165.db2.gz UZSWSQNULUEESN-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000052716748 177268345 /nfs/dbraw/zinc/26/83/45/177268345.db2.gz FIWSACPTONVASZ-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000052716748 177268347 /nfs/dbraw/zinc/26/83/47/177268347.db2.gz FIWSACPTONVASZ-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC[S@@]1=O ZINC000353829854 177268939 /nfs/dbraw/zinc/26/89/39/177268939.db2.gz SYCWQOYUPQHRFW-VFZGTOFNSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CCS(=O)(=O)C1 ZINC000331688304 177270787 /nfs/dbraw/zinc/27/07/87/177270787.db2.gz WJOYLKZUVBGFPW-VIFPVBQESA-N 1 2 243.332 0.276 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000011166951 177275738 /nfs/dbraw/zinc/27/57/38/177275738.db2.gz QGKVADAYTYQMRT-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000011166951 177275740 /nfs/dbraw/zinc/27/57/40/177275740.db2.gz QGKVADAYTYQMRT-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC1 ZINC000355080270 177290474 /nfs/dbraw/zinc/29/04/74/177290474.db2.gz MWDBOELYZLYBCG-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1CC1 ZINC000355080270 177290476 /nfs/dbraw/zinc/29/04/76/177290476.db2.gz MWDBOELYZLYBCG-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CC[C@H](F)C1 ZINC000336262837 177291200 /nfs/dbraw/zinc/29/12/00/177291200.db2.gz DLQNRBYRCISJLY-QWRGUYRKSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CC[C@H](F)C1 ZINC000336262837 177291201 /nfs/dbraw/zinc/29/12/01/177291201.db2.gz DLQNRBYRCISJLY-QWRGUYRKSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000330168846 177304243 /nfs/dbraw/zinc/30/42/43/177304243.db2.gz CVYPAEKOARZYOI-SSDOTTSWSA-N 1 2 228.321 0.695 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000330168846 177304245 /nfs/dbraw/zinc/30/42/45/177304245.db2.gz CVYPAEKOARZYOI-SSDOTTSWSA-N 1 2 228.321 0.695 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000282097387 177321480 /nfs/dbraw/zinc/32/14/80/177321480.db2.gz IKMUYAPXDMPYHO-NGZCFLSTSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000282356372 177321796 /nfs/dbraw/zinc/32/17/96/177321796.db2.gz AKHTUGOSXZYIBK-AXFHLTTASA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000337218368 177322210 /nfs/dbraw/zinc/32/22/10/177322210.db2.gz JBPYAMZQHQJBAM-HBNTYKKESA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nccc(N)n1 ZINC000309244155 177336379 /nfs/dbraw/zinc/33/63/79/177336379.db2.gz BOIHQTPQXVEXRW-IUCAKERBSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nccc(N)n1 ZINC000309244155 177336381 /nfs/dbraw/zinc/33/63/81/177336381.db2.gz BOIHQTPQXVEXRW-IUCAKERBSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H]1C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000076048657 177347365 /nfs/dbraw/zinc/34/73/65/177347365.db2.gz LUDAZNLKBWWKQP-UWVGGRQHSA-N 1 2 227.308 0.026 20 0 BCADLO C[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CCO1 ZINC000408119845 177353215 /nfs/dbraw/zinc/35/32/15/177353215.db2.gz QSQXUMPOSWYJOR-DTWKUNHWSA-N 1 2 236.271 0.963 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000331267771 177354012 /nfs/dbraw/zinc/35/40/12/177354012.db2.gz RSMKDSWQKSETHW-VWYCJHECSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000332707603 177374381 /nfs/dbraw/zinc/37/43/81/177374381.db2.gz YJMWAXGQEVPJIW-IUCAKERBSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000332707603 177374382 /nfs/dbraw/zinc/37/43/82/177374382.db2.gz YJMWAXGQEVPJIW-IUCAKERBSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330322987 177392503 /nfs/dbraw/zinc/39/25/03/177392503.db2.gz HGKUYJUAEDGXFQ-HTQZYQBOSA-N 1 2 234.259 0.343 20 0 BCADLO C[C@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)C1(F)F ZINC000359100755 177414785 /nfs/dbraw/zinc/41/47/85/177414785.db2.gz JBIXILFDNZQQPT-YUMQZZPRSA-N 1 2 229.230 0.901 20 0 BCADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCO1 ZINC000290879811 177453341 /nfs/dbraw/zinc/45/33/41/177453341.db2.gz DMZLXLBINWVNFZ-GFCCVEGCSA-N 1 2 235.287 0.794 20 0 BCADLO Cc1c(/C=C/C(=O)NCc2[nH]cc[nH+]2)cnn1C ZINC000270161353 177554323 /nfs/dbraw/zinc/55/43/23/177554323.db2.gz FWEQCNGFRPRJBW-ONEGZZNKSA-N 1 2 245.286 0.781 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCCC(=O)NC ZINC000488131439 225350428 /nfs/dbraw/zinc/35/04/28/225350428.db2.gz SDCLKCFQFWRMFA-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCCC(=O)NC ZINC000488131439 225350433 /nfs/dbraw/zinc/35/04/33/225350433.db2.gz SDCLKCFQFWRMFA-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775596 226050495 /nfs/dbraw/zinc/05/04/95/226050495.db2.gz YHFJNWWRGNJDJC-BKIAHZASSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492775146 226050739 /nfs/dbraw/zinc/05/07/39/226050739.db2.gz XSLSSEMTBRFJPC-OTDNITJGSA-N 1 2 221.260 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cn[nH]c1 ZINC000492808597 226057493 /nfs/dbraw/zinc/05/74/93/226057493.db2.gz DFTPIHDLRPEOHT-OWOJBTEDSA-N 1 2 203.205 0.785 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC(=O)N1 ZINC000492816159 226059989 /nfs/dbraw/zinc/05/99/89/226059989.db2.gz ZHKAZFLNVQRFRK-YEZKRMTDSA-N 1 2 248.286 0.208 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cnccc1CO ZINC000492815728 226060190 /nfs/dbraw/zinc/06/01/90/226060190.db2.gz XSUHOMXPGZVBST-OWOJBTEDSA-N 1 2 244.254 0.949 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C1CC1 ZINC000492869127 226071521 /nfs/dbraw/zinc/07/15/21/226071521.db2.gz UJBKOHJYBLOOLA-XOULXFPDSA-N 1 2 221.260 0.310 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C1CC1 ZINC000492869126 226072702 /nfs/dbraw/zinc/07/27/02/226072702.db2.gz UJBKOHJYBLOOLA-UMBAGQNISA-N 1 2 221.260 0.310 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000492905278 226081252 /nfs/dbraw/zinc/08/12/52/226081252.db2.gz ZMARFSDTPQRVHM-HFFUMFINSA-N 1 2 219.244 0.184 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493093226 226125154 /nfs/dbraw/zinc/12/51/54/226125154.db2.gz JLSZNQAUHSXLQU-WUIHGDLDSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCOC1 ZINC000493118237 226132333 /nfs/dbraw/zinc/13/23/33/226132333.db2.gz MNYQJHWVENEOFJ-CDAZIORVSA-N 1 2 221.260 0.718 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC[C@H]1CCOC1 ZINC000493123712 226133413 /nfs/dbraw/zinc/13/34/13/226133413.db2.gz VRDFFULQAVOILV-YOLVWIGZSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1=CCCOC1 ZINC000493217323 226157591 /nfs/dbraw/zinc/15/75/91/226157591.db2.gz FXTVENSXGZHKKD-ONEGZZNKSA-N 1 2 233.271 0.886 20 0 BCADLO CO[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493400458 226206555 /nfs/dbraw/zinc/20/65/55/226206555.db2.gz ZEEZORIJVYTEBA-DOGVGXBMSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@@H]1C(=O)NCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493421163 226212021 /nfs/dbraw/zinc/21/20/21/226212021.db2.gz OWJZLQYZFONYPJ-ZBJFTSOASA-N 1 2 248.286 0.160 20 0 BCADLO COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493432278 226216058 /nfs/dbraw/zinc/21/60/58/226216058.db2.gz LYUMQXISHPOKBQ-MOVJSRMASA-N 1 2 249.270 0.587 20 0 BCADLO Cn1ccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493479239 226227874 /nfs/dbraw/zinc/22/78/74/226227874.db2.gz BWNVGPFJMBTAMA-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO C[C@]1(C(N)=O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493531549 226240471 /nfs/dbraw/zinc/24/04/71/226240471.db2.gz VJUPMHKVOZOYJE-DLGQBQFBSA-N 1 2 248.286 0.147 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493617048 226246293 /nfs/dbraw/zinc/24/62/93/226246293.db2.gz HJHYSEDUXXVSRD-HOMPQPGZSA-N 1 2 223.276 0.963 20 0 BCADLO C[C@@H]1C(=O)NCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493707510 226250358 /nfs/dbraw/zinc/25/03/58/226250358.db2.gz OQSXPMHTPPKYHI-ZBJFTSOASA-N 1 2 248.286 0.160 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@H]1CCOC1 ZINC000493716901 226250805 /nfs/dbraw/zinc/25/08/05/226250805.db2.gz CUTXOMAATNSAMP-SYBPUXJVSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@@H]1CCOC1 ZINC000493716902 226250826 /nfs/dbraw/zinc/25/08/26/226250826.db2.gz CUTXOMAATNSAMP-TXXBHVLJSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ncon1 ZINC000493775280 226253444 /nfs/dbraw/zinc/25/34/44/226253444.db2.gz HPMLYCOFZGVUCX-SKRYNEFJSA-N 1 2 233.231 0.683 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NO[C@H]1CCOC1 ZINC000493807542 226255129 /nfs/dbraw/zinc/25/51/29/226255129.db2.gz DOYFIPJKMBWOOC-CMLYIYFCSA-N 1 2 223.232 0.260 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834180 226256559 /nfs/dbraw/zinc/25/65/59/226256559.db2.gz FQNZHJBFXIRPKA-PANNJJLPSA-N 1 2 241.316 0.306 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834178 226256573 /nfs/dbraw/zinc/25/65/73/226256573.db2.gz FQNZHJBFXIRPKA-AHJNMMPFSA-N 1 2 241.316 0.306 20 0 BCADLO COC[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834557 226256666 /nfs/dbraw/zinc/25/66/66/226256666.db2.gz GJUDATATQZYSSA-NWALNABHSA-N 1 2 223.276 0.822 20 0 BCADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCc2n[nH]cc2C1 ZINC000493847000 226257053 /nfs/dbraw/zinc/25/70/53/226257053.db2.gz DSKSMETZHMHATI-UPHRSURJSA-N 1 2 243.270 0.731 20 0 BCADLO COCCOCC[NH+]1CCN(C(=O)OC)CC1 ZINC000494149363 226261731 /nfs/dbraw/zinc/26/17/31/226261731.db2.gz YPWHEOVRBSEWQS-UHFFFAOYSA-N 1 2 246.307 0.033 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000494685490 226268272 /nfs/dbraw/zinc/26/82/72/226268272.db2.gz NQOSZBIIQZXFLO-JTQLQIEISA-N 1 2 219.288 0.742 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000494685490 226268273 /nfs/dbraw/zinc/26/82/73/226268273.db2.gz NQOSZBIIQZXFLO-JTQLQIEISA-N 1 2 219.288 0.742 20 0 BCADLO OC[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000494983555 226273980 /nfs/dbraw/zinc/27/39/80/226273980.db2.gz BSNDDUWJSYLRMU-ZIYVKSGCSA-N 1 2 234.299 0.788 20 0 BCADLO OC[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000494983555 226273981 /nfs/dbraw/zinc/27/39/81/226273981.db2.gz BSNDDUWJSYLRMU-ZIYVKSGCSA-N 1 2 234.299 0.788 20 0 BCADLO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496459748 226305365 /nfs/dbraw/zinc/30/53/65/226305365.db2.gz XVTWRMOEXBBBFP-BBBLOLIVSA-N 1 2 228.292 0.546 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000497035206 226320630 /nfs/dbraw/zinc/32/06/30/226320630.db2.gz LTGXOOFRABECIN-MRVPVSSYSA-N 1 2 204.245 0.728 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000497035206 226320631 /nfs/dbraw/zinc/32/06/31/226320631.db2.gz LTGXOOFRABECIN-MRVPVSSYSA-N 1 2 204.245 0.728 20 0 BCADLO Cc1nocc1C[N@@H+](CC(N)=O)CC(C)C ZINC000507357231 226368710 /nfs/dbraw/zinc/36/87/10/226368710.db2.gz IURZTYWOHMCWFD-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1nocc1C[N@H+](CC(N)=O)CC(C)C ZINC000507357231 226368711 /nfs/dbraw/zinc/36/87/11/226368711.db2.gz IURZTYWOHMCWFD-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2COC(=O)N2)c(C)[nH+]1 ZINC000495910282 226291775 /nfs/dbraw/zinc/29/17/75/226291775.db2.gz ATRATBMJMLOBDT-VIFPVBQESA-N 1 2 235.243 0.745 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)OC1CCC1 ZINC000495973926 226293797 /nfs/dbraw/zinc/29/37/97/226293797.db2.gz YUCXBBZSCGMKML-JTQLQIEISA-N 1 2 239.319 0.265 20 0 BCADLO CCc1noc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000680864385 487660729 /nfs/dbraw/zinc/66/07/29/487660729.db2.gz FXNUTGHJPZVGKO-NSHDSACASA-N 1 2 241.291 0.215 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000680864385 487660733 /nfs/dbraw/zinc/66/07/33/487660733.db2.gz FXNUTGHJPZVGKO-NSHDSACASA-N 1 2 241.291 0.215 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)C(F)(F)F ZINC000680866180 487661437 /nfs/dbraw/zinc/66/14/37/487661437.db2.gz OJIKNLHQNNLMTP-SSDOTTSWSA-N 1 2 223.198 0.765 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)C[C@@H](O)C(F)(F)F ZINC000680866180 487661443 /nfs/dbraw/zinc/66/14/43/487661443.db2.gz OJIKNLHQNNLMTP-SSDOTTSWSA-N 1 2 223.198 0.765 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cn(C)nn1 ZINC000661469670 487662772 /nfs/dbraw/zinc/66/27/72/487662772.db2.gz POUCINSXCNXGAI-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cn(C)nn1 ZINC000661469670 487662779 /nfs/dbraw/zinc/66/27/79/487662779.db2.gz POUCINSXCNXGAI-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000678047421 487663834 /nfs/dbraw/zinc/66/38/34/487663834.db2.gz SVPIIJMXETZCSX-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000678047421 487663838 /nfs/dbraw/zinc/66/38/38/487663838.db2.gz SVPIIJMXETZCSX-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO C[C@@H](CCCO)NC(=O)CCCn1cc[nH+]c1 ZINC000675042673 487666080 /nfs/dbraw/zinc/66/60/80/487666080.db2.gz FHWCFDXCWAIONY-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CN(CC[NH+](C)C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000082542468 487669322 /nfs/dbraw/zinc/66/93/22/487669322.db2.gz NRUKNOSZYGQNIL-UHFFFAOYSA-N 1 2 223.276 0.778 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)C(F)F ZINC000228513964 487669331 /nfs/dbraw/zinc/66/93/31/487669331.db2.gz BAHHBIRTSMLZDV-RQJHMYQMSA-N 1 2 227.276 0.807 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)C(F)F ZINC000228514832 487669518 /nfs/dbraw/zinc/66/95/18/487669518.db2.gz UDSPACQUVGYKIE-NTSWFWBYSA-N 1 2 215.265 0.663 20 0 BCADLO CCc1cc(N[C@H](CO)[C@@H](C)O)nc[nH+]1 ZINC000665740055 487680241 /nfs/dbraw/zinc/68/02/41/487680241.db2.gz XLHUGZPGGDSBHN-VXNVDRBHSA-N 1 2 211.265 0.193 20 0 BCADLO NC(=O)[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)cc1 ZINC000680975029 487684790 /nfs/dbraw/zinc/68/47/90/487684790.db2.gz PLDVPEJMUSLXTB-NSHDSACASA-N 1 2 248.261 0.865 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC1 ZINC000651026681 487687906 /nfs/dbraw/zinc/68/79/06/487687906.db2.gz IMICCBQUDIXXEM-UHFFFAOYSA-N 1 2 219.288 0.994 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCn2ncnc2C1 ZINC000352273993 487688903 /nfs/dbraw/zinc/68/89/03/487688903.db2.gz KQTWZOBWEUSJEV-NXEZZACHSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCn2ncnc2C1 ZINC000352273993 487688908 /nfs/dbraw/zinc/68/89/08/487688908.db2.gz KQTWZOBWEUSJEV-NXEZZACHSA-N 1 2 222.292 0.397 20 0 BCADLO CC(C)(C)[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279787310 487694205 /nfs/dbraw/zinc/69/42/05/487694205.db2.gz FWRLFOBICRCCJZ-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279787310 487694211 /nfs/dbraw/zinc/69/42/11/487694211.db2.gz FWRLFOBICRCCJZ-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCOC1 ZINC000668401086 487694465 /nfs/dbraw/zinc/69/44/65/487694465.db2.gz OAQDHPYKBCPUBP-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCOC1 ZINC000668401086 487694468 /nfs/dbraw/zinc/69/44/68/487694468.db2.gz OAQDHPYKBCPUBP-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1C[N@H+](CCn2ccccc2=O)CC(=O)N1C ZINC000669700468 487696579 /nfs/dbraw/zinc/69/65/79/487696579.db2.gz OODIJHLDEXYVFB-NSHDSACASA-N 1 2 249.314 0.011 20 0 BCADLO C[C@H]1C[N@@H+](CCn2ccccc2=O)CC(=O)N1C ZINC000669700468 487696583 /nfs/dbraw/zinc/69/65/83/487696583.db2.gz OODIJHLDEXYVFB-NSHDSACASA-N 1 2 249.314 0.011 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399932571 262847207 /nfs/dbraw/zinc/84/72/07/262847207.db2.gz SKFZBQMBMUEHAC-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCOC[C@H](O)C1 ZINC000399932571 262847208 /nfs/dbraw/zinc/84/72/08/262847208.db2.gz SKFZBQMBMUEHAC-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000527537783 262855472 /nfs/dbraw/zinc/85/54/72/262855472.db2.gz BPWYZMJHQOZZII-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccn1 ZINC000527537783 262855474 /nfs/dbraw/zinc/85/54/74/262855474.db2.gz BPWYZMJHQOZZII-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO COCC[N@@H+](CC(F)F)C[C@@H](C)CO ZINC000120840271 490069826 /nfs/dbraw/zinc/06/98/26/490069826.db2.gz PJWUNDIMFJKESA-MRVPVSSYSA-N 1 2 211.252 0.828 20 0 BCADLO COCC[N@H+](CC(F)F)C[C@@H](C)CO ZINC000120840271 490069831 /nfs/dbraw/zinc/06/98/31/490069831.db2.gz PJWUNDIMFJKESA-MRVPVSSYSA-N 1 2 211.252 0.828 20 0 BCADLO CC(=O)NCCN(C)Cc1c[nH+]c2n1CCC2 ZINC000668275135 490070366 /nfs/dbraw/zinc/07/03/66/490070366.db2.gz SZOTUAICZTVCEZ-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc2n1CCC2 ZINC000668275135 490070367 /nfs/dbraw/zinc/07/03/67/490070367.db2.gz SZOTUAICZTVCEZ-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc2n1CCC2 ZINC000668275135 490070369 /nfs/dbraw/zinc/07/03/69/490070369.db2.gz SZOTUAICZTVCEZ-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CN(CC(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865163974 589412304 /nfs/dbraw/zinc/41/23/04/589412304.db2.gz VJEGQDFHODBWSL-ZETCQYMHSA-N 1 2 219.191 0.167 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493182898 533686507 /nfs/dbraw/zinc/68/65/07/533686507.db2.gz BWUYBWOXMQEKEZ-RTMURIBGSA-N 1 2 237.259 0.491 20 0 BCADLO Cn1c(C[N@H+](C)C2(CO)CC2)nnc1C1CC1 ZINC000671727282 487709477 /nfs/dbraw/zinc/70/94/77/487709477.db2.gz AWPPVRBNIKQYMT-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@@H+](C)C2(CO)CC2)nnc1C1CC1 ZINC000671727282 487709482 /nfs/dbraw/zinc/70/94/82/487709482.db2.gz AWPPVRBNIKQYMT-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000669596156 487718522 /nfs/dbraw/zinc/71/85/22/487718522.db2.gz JPIQCTJFXHEXLQ-SECBINFHSA-N 1 2 233.275 0.733 20 0 BCADLO Cc1nc(N[C@@H]2CCCSC2)nc(N)[nH+]1 ZINC000379823869 487719859 /nfs/dbraw/zinc/71/98/59/487719859.db2.gz UYBWUHFRIWDGRR-SSDOTTSWSA-N 1 2 225.321 1.070 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCSC2)[nH+]1 ZINC000379823869 487719861 /nfs/dbraw/zinc/71/98/61/487719861.db2.gz UYBWUHFRIWDGRR-SSDOTTSWSA-N 1 2 225.321 1.070 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778160 487719984 /nfs/dbraw/zinc/71/99/84/487719984.db2.gz PYUPWKXZRONATE-SNVBAGLBSA-N 1 2 244.302 1.119 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778160 487719985 /nfs/dbraw/zinc/71/99/85/487719985.db2.gz PYUPWKXZRONATE-SNVBAGLBSA-N 1 2 244.302 1.119 20 0 BCADLO O=C1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)CN1 ZINC000665743885 487720324 /nfs/dbraw/zinc/72/03/24/487720324.db2.gz NUKQFFXFWZEJIG-QMMMGPOBSA-N 1 2 232.287 0.902 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC(=O)N1C ZINC000668420221 487722954 /nfs/dbraw/zinc/72/29/54/487722954.db2.gz YFABIKFSLRXACZ-SNVBAGLBSA-N 1 2 247.298 0.761 20 0 BCADLO COCCCCNc1[nH+]cnc2c1OCCN2 ZINC000665692294 487731540 /nfs/dbraw/zinc/73/15/40/487731540.db2.gz IQUYVLVUCPQGQE-UHFFFAOYSA-N 1 2 238.291 0.232 20 0 BCADLO COCCCCNc1nc[nH+]c2c1OCCN2 ZINC000665692294 487731545 /nfs/dbraw/zinc/73/15/45/487731545.db2.gz IQUYVLVUCPQGQE-UHFFFAOYSA-N 1 2 238.291 0.232 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000681117047 487732004 /nfs/dbraw/zinc/73/20/04/487732004.db2.gz HGJFTZHHZQXZTF-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000681117047 487732011 /nfs/dbraw/zinc/73/20/11/487732011.db2.gz HGJFTZHHZQXZTF-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000681121765 487733588 /nfs/dbraw/zinc/73/35/88/487733588.db2.gz ZUGPJKCIEMRPLU-SRVKXCTJSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@]1(O)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665704860 487736680 /nfs/dbraw/zinc/73/66/80/487736680.db2.gz LAMDOTYMMRGEOL-NSHDSACASA-N 1 2 236.275 0.242 20 0 BCADLO C[C@]1(O)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665704860 487736686 /nfs/dbraw/zinc/73/66/86/487736686.db2.gz LAMDOTYMMRGEOL-NSHDSACASA-N 1 2 236.275 0.242 20 0 BCADLO c1nc(N2CCO[C@@H]3C[C@@H]32)c2c([nH+]1)NCCO2 ZINC000665720451 487738501 /nfs/dbraw/zinc/73/85/01/487738501.db2.gz FPKPXYASCXHSEM-JGVFFNPUSA-N 1 2 234.259 0.258 20 0 BCADLO c1nc2c(c(N3CCO[C@@H]4C[C@@H]43)[nH+]1)OCCN2 ZINC000665720451 487738503 /nfs/dbraw/zinc/73/85/03/487738503.db2.gz FPKPXYASCXHSEM-JGVFFNPUSA-N 1 2 234.259 0.258 20 0 BCADLO CC[C@@H](Nc1nc[nH+]c2c1OCCN2)[C@H](C)O ZINC000665722107 487739667 /nfs/dbraw/zinc/73/96/67/487739667.db2.gz RAYJQSWYJPCXQB-JGVFFNPUSA-N 1 2 238.291 0.852 20 0 BCADLO CC[C@@H](Nc1[nH+]cnc2c1OCCN2)[C@H](C)O ZINC000665722107 487739671 /nfs/dbraw/zinc/73/96/71/487739671.db2.gz RAYJQSWYJPCXQB-JGVFFNPUSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@H]1COCCN1c1nc[nH+]c2c1OCCN2 ZINC000665721291 487739746 /nfs/dbraw/zinc/73/97/46/487739746.db2.gz SKHWLRDZBOZQKM-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@H]1COCCN1c1[nH+]cnc2c1OCCN2 ZINC000665721291 487739751 /nfs/dbraw/zinc/73/97/51/487739751.db2.gz SKHWLRDZBOZQKM-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO C[C@H](F)CCNc1[nH+]cnc2c1OCCN2 ZINC000665720880 487740292 /nfs/dbraw/zinc/74/02/92/487740292.db2.gz RDJPAYCCOHJAGM-ZETCQYMHSA-N 1 2 226.255 0.553 20 0 BCADLO C[C@H](F)CCNc1nc[nH+]c2c1OCCN2 ZINC000665720880 487740297 /nfs/dbraw/zinc/74/02/97/487740297.db2.gz RDJPAYCCOHJAGM-ZETCQYMHSA-N 1 2 226.255 0.553 20 0 BCADLO O[C@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000665722672 487740015 /nfs/dbraw/zinc/74/00/15/487740015.db2.gz VRWWPBYBSOPSHJ-KNVOCYPGSA-N 1 2 222.248 0.216 20 0 BCADLO O[C@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000665722672 487740020 /nfs/dbraw/zinc/74/00/20/487740020.db2.gz VRWWPBYBSOPSHJ-KNVOCYPGSA-N 1 2 222.248 0.216 20 0 BCADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1O ZINC000678152672 487740077 /nfs/dbraw/zinc/74/00/77/487740077.db2.gz OHKCPKJMGPJTDG-VHSXEESVSA-N 1 2 245.286 0.479 20 0 BCADLO CC1(C)CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000666189754 487742448 /nfs/dbraw/zinc/74/24/48/487742448.db2.gz NKFGLFFJOLIBKX-NSHDSACASA-N 1 2 240.347 0.559 20 0 BCADLO CC(=O)N[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000088759420 487750090 /nfs/dbraw/zinc/75/00/90/487750090.db2.gz XQZQGHITWPQHFY-SNVBAGLBSA-N 1 2 238.291 0.187 20 0 BCADLO CC(=O)N[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000088759420 487750095 /nfs/dbraw/zinc/75/00/95/487750095.db2.gz XQZQGHITWPQHFY-SNVBAGLBSA-N 1 2 238.291 0.187 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1[nH]c[nH+]c1C ZINC000676757440 487755700 /nfs/dbraw/zinc/75/57/00/487755700.db2.gz RJKWFWPKMNIOBE-SECBINFHSA-N 1 2 225.292 0.885 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCCCO2)nc(N)[nH+]1 ZINC000383570919 487758226 /nfs/dbraw/zinc/75/82/26/487758226.db2.gz KAIDZGDXJKAVOR-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCCCO2)[nH+]1 ZINC000383570919 487758228 /nfs/dbraw/zinc/75/82/28/487758228.db2.gz KAIDZGDXJKAVOR-VIFPVBQESA-N 1 2 237.307 0.768 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263673388 487758468 /nfs/dbraw/zinc/75/84/68/487758468.db2.gz LPCAVPNQSQOEJG-JTQLQIEISA-N 1 2 234.303 0.720 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000263673388 487758472 /nfs/dbraw/zinc/75/84/72/487758472.db2.gz LPCAVPNQSQOEJG-JTQLQIEISA-N 1 2 234.303 0.720 20 0 BCADLO CCn1nccc1C(=O)NCCn1cc[nH+]c1 ZINC000681261912 487763867 /nfs/dbraw/zinc/76/38/67/487763867.db2.gz NWAYGRCWMCNAJP-UHFFFAOYSA-N 1 2 233.275 0.530 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000681275140 487767212 /nfs/dbraw/zinc/76/72/12/487767212.db2.gz ZOCBBQSCGWAXGZ-JTQLQIEISA-N 1 2 233.271 0.229 20 0 BCADLO CCOc1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000681281937 487769298 /nfs/dbraw/zinc/76/92/98/487769298.db2.gz AZFQTDXRXYBMSS-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO CCOc1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000681281937 487769303 /nfs/dbraw/zinc/76/93/03/487769303.db2.gz AZFQTDXRXYBMSS-UHFFFAOYSA-N 1 2 236.231 0.726 20 0 BCADLO C[C@H](CC(=O)NCC(C)(C)CO)n1cc[nH+]c1 ZINC000651546072 487776682 /nfs/dbraw/zinc/77/66/82/487776682.db2.gz HDLPTWHVADQHSF-SNVBAGLBSA-N 1 2 239.319 0.969 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](O)C1CCC1 ZINC000493075980 487779104 /nfs/dbraw/zinc/77/91/04/487779104.db2.gz XCHOWMPPBNGOLG-YEZKRMTDSA-N 1 2 235.287 0.700 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnn(C)c1N ZINC000385386269 487783702 /nfs/dbraw/zinc/78/37/02/487783702.db2.gz TXAKBFBTBMEQNW-UHFFFAOYSA-N 1 2 248.290 0.149 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)o1 ZINC000069875419 487790184 /nfs/dbraw/zinc/79/01/84/487790184.db2.gz ZVWYHDNUZHDZNO-QMMMGPOBSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)o1 ZINC000069875419 487790191 /nfs/dbraw/zinc/79/01/91/487790191.db2.gz ZVWYHDNUZHDZNO-QMMMGPOBSA-N 1 2 239.275 0.603 20 0 BCADLO CO[C@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000666353199 487792013 /nfs/dbraw/zinc/79/20/13/487792013.db2.gz PFYCEHJVSITZSF-NSHDSACASA-N 1 2 237.303 0.814 20 0 BCADLO CCn1cnc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000666352906 487792048 /nfs/dbraw/zinc/79/20/48/487792048.db2.gz IIHOHGVRCXUVOZ-UHFFFAOYSA-N 1 2 233.275 0.530 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000070215041 487792506 /nfs/dbraw/zinc/79/25/06/487792506.db2.gz NZNLOFRNZJVNTR-MRVPVSSYSA-N 1 2 233.275 0.733 20 0 BCADLO Cc1n[nH]cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000070214766 487792678 /nfs/dbraw/zinc/79/26/78/487792678.db2.gz FHICLUMOLCRIBP-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO c1cn2c([nH+]1)CN([C@H]1CCCOC1)CC2 ZINC000674300810 487795155 /nfs/dbraw/zinc/79/51/55/487795155.db2.gz GWSQIBNLBMLWJT-JTQLQIEISA-N 1 2 207.277 0.878 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[C@H]32)C1 ZINC000672133874 487796647 /nfs/dbraw/zinc/79/66/47/487796647.db2.gz PZKCBRVLKMRHCF-AXFHLTTASA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[C@H]32)C1 ZINC000672133874 487796653 /nfs/dbraw/zinc/79/66/53/487796653.db2.gz PZKCBRVLKMRHCF-AXFHLTTASA-N 1 2 224.304 0.328 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000628120290 487804195 /nfs/dbraw/zinc/80/41/95/487804195.db2.gz GHGBWJCGFFPCKK-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1ncc(C[N@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000628120290 487804196 /nfs/dbraw/zinc/80/41/96/487804196.db2.gz GHGBWJCGFFPCKK-JTQLQIEISA-N 1 2 223.276 0.823 20 0 BCADLO Cc1n[nH]cc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676078948 487809825 /nfs/dbraw/zinc/80/98/25/487809825.db2.gz UDEMMUCJEXIHMO-UHFFFAOYSA-N 1 2 247.306 0.890 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000676080581 487809861 /nfs/dbraw/zinc/80/98/61/487809861.db2.gz TUULMCKOMAYQCZ-HTQZYQBOSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(N[C@H](C)[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000676080581 487809865 /nfs/dbraw/zinc/80/98/65/487809865.db2.gz TUULMCKOMAYQCZ-HTQZYQBOSA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(C[N@H+](CCO)CCCO)co1 ZINC000385854912 487810180 /nfs/dbraw/zinc/81/01/80/487810180.db2.gz HFPCUOGMWKLTJU-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CCCO)co1 ZINC000385854912 487810185 /nfs/dbraw/zinc/81/01/85/487810185.db2.gz HFPCUOGMWKLTJU-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncc[nH]1 ZINC000666449675 487811594 /nfs/dbraw/zinc/81/15/94/487811594.db2.gz HNCQNDIGBGWUAO-MRVPVSSYSA-N 1 2 219.248 0.425 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2cocn2)[nH+]1 ZINC000676080915 487812009 /nfs/dbraw/zinc/81/20/09/487812009.db2.gz KXKXZFMWMFGJMS-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO Cc1nc(NCc2cocn2)nc(N(C)C)[nH+]1 ZINC000676080915 487812011 /nfs/dbraw/zinc/81/20/11/487812011.db2.gz KXKXZFMWMFGJMS-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO O=S(=O)(CC1CC1)NCc1[nH]cc[nH+]1 ZINC000083140953 487816491 /nfs/dbraw/zinc/81/64/91/487816491.db2.gz ZNMLSLBTEBCYEJ-UHFFFAOYSA-N 1 2 215.278 0.239 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481751 487817916 /nfs/dbraw/zinc/81/79/16/487817916.db2.gz RANXJUSSPLXTQS-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481751 487817921 /nfs/dbraw/zinc/81/79/21/487817921.db2.gz RANXJUSSPLXTQS-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCNC2=O)c(C)c[nH+]1 ZINC000666495995 487821744 /nfs/dbraw/zinc/82/17/44/487821744.db2.gz QYYJMKLUQSVTPK-VIFPVBQESA-N 1 2 248.286 0.130 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](O)C1 ZINC000666494204 487821624 /nfs/dbraw/zinc/82/16/24/487821624.db2.gz RQKIQZYJVFDECJ-KYZUINATSA-N 1 2 221.260 0.457 20 0 BCADLO CC[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000783651720 585839448 /nfs/dbraw/zinc/83/94/48/585839448.db2.gz LAVRFWSVYRXFGH-NHYWBVRUSA-N 1 2 232.393 0.781 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCOc2ccccc2C1 ZINC000676240000 487828387 /nfs/dbraw/zinc/82/83/87/487828387.db2.gz GGIUUKPIPKSYTN-NSHDSACASA-N 1 2 232.283 0.770 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCOc2ccccc2C1 ZINC000676240000 487828390 /nfs/dbraw/zinc/82/83/90/487828390.db2.gz GGIUUKPIPKSYTN-NSHDSACASA-N 1 2 232.283 0.770 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(OC)OC ZINC000799170155 586165206 /nfs/dbraw/zinc/16/52/06/586165206.db2.gz SXTCZGRTQCDGTL-VIFPVBQESA-N 1 2 233.308 0.879 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)OC)CC(OC)OC ZINC000799170155 586165208 /nfs/dbraw/zinc/16/52/08/586165208.db2.gz SXTCZGRTQCDGTL-VIFPVBQESA-N 1 2 233.308 0.879 20 0 BCADLO C[C@@H](O)CN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000655372191 487834944 /nfs/dbraw/zinc/83/49/44/487834944.db2.gz KXLKWQUKQCYICF-SECBINFHSA-N 1 2 237.303 0.334 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)c1ccncn1 ZINC000681670412 487836038 /nfs/dbraw/zinc/83/60/38/487836038.db2.gz NJNIMBYNIDCLLL-UHFFFAOYSA-N 1 2 243.270 0.612 20 0 BCADLO O[C@@H](C[NH+]1CC(OC(F)F)C1)C1CC1 ZINC000840760092 587920215 /nfs/dbraw/zinc/92/02/15/587920215.db2.gz RAJKADICZUNCJT-QMMMGPOBSA-N 1 2 207.220 0.681 20 0 BCADLO CCO/C=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000493640616 528484946 /nfs/dbraw/zinc/48/49/46/528484946.db2.gz IEVYLBDJIGWDJA-SNAWJCMRSA-N 1 2 209.249 0.885 20 0 BCADLO CCN(CCO)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492895317 528520464 /nfs/dbraw/zinc/52/04/64/528520464.db2.gz PANMNTUHWABTGN-WAYWQWQTSA-N 1 2 237.303 0.757 20 0 BCADLO C[C@H]1C[N@H+](CCOC(F)F)CC[S@](=O)C1 ZINC000851987815 588652335 /nfs/dbraw/zinc/65/23/35/588652335.db2.gz QKTRCOUESHPHQL-AYVTZFPOSA-N 1 2 241.303 0.926 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(F)F)CC[S@](=O)C1 ZINC000851987815 588652336 /nfs/dbraw/zinc/65/23/36/588652336.db2.gz QKTRCOUESHPHQL-AYVTZFPOSA-N 1 2 241.303 0.926 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](CCF)CCOC ZINC000852484933 588685123 /nfs/dbraw/zinc/68/51/23/588685123.db2.gz OFHZMOAIDQMMLS-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](CCF)CCOC ZINC000852484933 588685124 /nfs/dbraw/zinc/68/51/24/588685124.db2.gz OFHZMOAIDQMMLS-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO NC(=O)[C@@]1([NH2+]CC=C(Cl)Cl)CCOC1 ZINC000852217818 588673562 /nfs/dbraw/zinc/67/35/62/588673562.db2.gz NRMPTAHYGHECDP-MRVPVSSYSA-N 1 2 239.102 0.539 20 0 BCADLO COCCCOCCC(=O)NCc1c[nH+]c[nH]1 ZINC000668995523 487843709 /nfs/dbraw/zinc/84/37/09/487843709.db2.gz NDRSHRZROCXUHJ-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO COCCCOCCC(=O)NCc1c[nH]c[nH+]1 ZINC000668995523 487843715 /nfs/dbraw/zinc/84/37/15/487843715.db2.gz NDRSHRZROCXUHJ-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)CC[C@H]1O ZINC000681708097 487844514 /nfs/dbraw/zinc/84/45/14/487844514.db2.gz RWBAHHUNFIZGQM-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)CC[C@H]1O ZINC000681708097 487844516 /nfs/dbraw/zinc/84/45/16/487844516.db2.gz RWBAHHUNFIZGQM-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO Cn1ncc(C2CC2)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000668995818 487845130 /nfs/dbraw/zinc/84/51/30/487845130.db2.gz QMUPWZGCVMBRGO-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1ncc(C2CC2)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000668995818 487845132 /nfs/dbraw/zinc/84/51/32/487845132.db2.gz QMUPWZGCVMBRGO-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC1CCC1 ZINC000558421185 322949981 /nfs/dbraw/zinc/94/99/81/322949981.db2.gz YGOSKRRBMJDNCA-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO COCCOCC[N@H+](CCO)Cc1ccon1 ZINC000625754635 487847048 /nfs/dbraw/zinc/84/70/48/487847048.db2.gz KGQGFTMYLQSRCO-UHFFFAOYSA-N 1 2 244.291 0.132 20 0 BCADLO COCCOCC[N@@H+](CCO)Cc1ccon1 ZINC000625754635 487847051 /nfs/dbraw/zinc/84/70/51/487847051.db2.gz KGQGFTMYLQSRCO-UHFFFAOYSA-N 1 2 244.291 0.132 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]1CO ZINC000934023409 631622655 /nfs/dbraw/zinc/62/26/55/631622655.db2.gz HKZOVHNCJZMTKY-RKDXNWHRSA-N 1 2 215.293 0.783 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]1CO ZINC000934023409 631622662 /nfs/dbraw/zinc/62/26/62/631622662.db2.gz HKZOVHNCJZMTKY-RKDXNWHRSA-N 1 2 215.293 0.783 20 0 BCADLO CCOc1cnc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000681730051 487849301 /nfs/dbraw/zinc/84/93/01/487849301.db2.gz JSDVKMUWVQRTQC-UHFFFAOYSA-N 1 2 247.258 0.528 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668497898 487854797 /nfs/dbraw/zinc/85/47/97/487854797.db2.gz LFBYFHWLIYANMQ-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668497898 487854806 /nfs/dbraw/zinc/85/48/06/487854806.db2.gz LFBYFHWLIYANMQ-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000930603883 639817965 /nfs/dbraw/zinc/81/79/65/639817965.db2.gz SJZRUHGSUUBFCO-JGVFFNPUSA-N 1 2 202.229 0.193 20 0 BCADLO CON1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000930603883 639817966 /nfs/dbraw/zinc/81/79/66/639817966.db2.gz SJZRUHGSUUBFCO-JGVFFNPUSA-N 1 2 202.229 0.193 20 0 BCADLO COC[C@H](C)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668497900 487855402 /nfs/dbraw/zinc/85/54/02/487855402.db2.gz LFBYFHWLIYANMQ-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668497900 487855405 /nfs/dbraw/zinc/85/54/05/487855405.db2.gz LFBYFHWLIYANMQ-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cocn2)C1 ZINC000668497971 487855428 /nfs/dbraw/zinc/85/54/28/487855428.db2.gz DHIXKVAJXFXOTB-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cocn2)C1 ZINC000668497971 487855433 /nfs/dbraw/zinc/85/54/33/487855433.db2.gz DHIXKVAJXFXOTB-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccncc1 ZINC000303379332 487864426 /nfs/dbraw/zinc/86/44/26/487864426.db2.gz QIVQVSOKGZHMKI-LLVKDONJSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccncc1 ZINC000303379332 487864430 /nfs/dbraw/zinc/86/44/30/487864430.db2.gz QIVQVSOKGZHMKI-LLVKDONJSA-N 1 2 235.287 0.477 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CSC[C@H]2C)[nH]1 ZINC000668510767 487868925 /nfs/dbraw/zinc/86/89/25/487868925.db2.gz ZRSNWFHXJKDLOH-HTQZYQBOSA-N 1 2 242.348 0.792 20 0 BCADLO C[C@@H](O)CN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000655374134 487869574 /nfs/dbraw/zinc/86/95/74/487869574.db2.gz JURTXSFVTYZNOS-SNVBAGLBSA-N 1 2 237.303 0.645 20 0 BCADLO COCc1nnc(C[NH2+]C[C@@H](C)COC)[nH]1 ZINC000668510560 487869832 /nfs/dbraw/zinc/86/98/32/487869832.db2.gz VJSABTURFVIMDT-MRVPVSSYSA-N 1 2 228.296 0.323 20 0 BCADLO Cc1nc(N2CC(F)(F)C[C@H]2CO)cc[nH+]1 ZINC000681996261 487876651 /nfs/dbraw/zinc/87/66/51/487876651.db2.gz MLILOJWFGSLREF-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO Cc1cc(NC(=O)Cn2cncn2)c(C)c[nH+]1 ZINC000676587758 487877875 /nfs/dbraw/zinc/87/78/75/487877875.db2.gz DIZYJONXSKYGOS-UHFFFAOYSA-N 1 2 231.259 0.351 20 0 BCADLO COCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000663238291 487879591 /nfs/dbraw/zinc/87/95/91/487879591.db2.gz YNIJYFASFNGHOU-MRVPVSSYSA-N 1 2 226.280 0.427 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cnns1 ZINC000666822067 487885579 /nfs/dbraw/zinc/88/55/79/487885579.db2.gz WHQMJWPKCOXJBF-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cnns1 ZINC000666822067 487885589 /nfs/dbraw/zinc/88/55/89/487885589.db2.gz WHQMJWPKCOXJBF-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO C[C@@H](CNC(=O)[C@@H](O)C1CC1)Cn1cc[nH+]c1 ZINC000669019909 487885012 /nfs/dbraw/zinc/88/50/12/487885012.db2.gz ZHTRXOJHBJARHD-ONGXEEELSA-N 1 2 237.303 0.406 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682034227 487886079 /nfs/dbraw/zinc/88/60/79/487886079.db2.gz QNLRYOKKGXMRIQ-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@@H](CO)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682034227 487886082 /nfs/dbraw/zinc/88/60/82/487886082.db2.gz QNLRYOKKGXMRIQ-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)[C@@H](CC)CO1 ZINC000403802486 487891292 /nfs/dbraw/zinc/89/12/92/487891292.db2.gz IOGMNUNCITYWEW-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)[C@@H](CC)CO1 ZINC000403802486 487891295 /nfs/dbraw/zinc/89/12/95/487891295.db2.gz IOGMNUNCITYWEW-DTWKUNHWSA-N 1 2 200.282 0.361 20 0 BCADLO c1n[nH]cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000670272222 487893331 /nfs/dbraw/zinc/89/33/31/487893331.db2.gz PPRHJSIYKDHNAM-AOOOYVTPSA-N 1 2 209.249 0.009 20 0 BCADLO c1n[nH]cc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000670272222 487893338 /nfs/dbraw/zinc/89/33/38/487893338.db2.gz PPRHJSIYKDHNAM-AOOOYVTPSA-N 1 2 209.249 0.009 20 0 BCADLO CC(C)(O)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000676704418 487896005 /nfs/dbraw/zinc/89/60/05/487896005.db2.gz AYPXLHWLXJLVLB-JTQLQIEISA-N 1 2 237.303 0.645 20 0 BCADLO O=C(NCCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC000676701771 487896299 /nfs/dbraw/zinc/89/62/99/487896299.db2.gz KNHLFGWGZYWETH-VIFPVBQESA-N 1 2 225.267 0.921 20 0 BCADLO Cn1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000668535813 487899043 /nfs/dbraw/zinc/89/90/43/487899043.db2.gz PRMAOZMWWRJMBY-AWEZNQCLSA-N 1 2 249.358 0.932 20 0 BCADLO CO[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000668536421 487899771 /nfs/dbraw/zinc/89/97/71/487899771.db2.gz SUHFBVUUKCZYRQ-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000671248925 487902430 /nfs/dbraw/zinc/90/24/30/487902430.db2.gz WKOJEICNSAZWOZ-SSDOTTSWSA-N 1 2 215.322 0.913 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000671248925 487902434 /nfs/dbraw/zinc/90/24/34/487902434.db2.gz WKOJEICNSAZWOZ-SSDOTTSWSA-N 1 2 215.322 0.913 20 0 BCADLO CCC[C@H](O)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000676747761 487915325 /nfs/dbraw/zinc/91/53/25/487915325.db2.gz FJRYPKVCPWYYQE-VIFPVBQESA-N 1 2 225.292 0.919 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668543599 487916251 /nfs/dbraw/zinc/91/62/51/487916251.db2.gz XNNLKJWWNQAANS-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668543599 487916253 /nfs/dbraw/zinc/91/62/53/487916253.db2.gz XNNLKJWWNQAANS-PWSUYJOCSA-N 1 2 248.330 0.819 20 0 BCADLO CC(C)(C(=O)N1CC=CCC1)[NH+]1CCOCC1 ZINC000669909293 487918668 /nfs/dbraw/zinc/91/86/68/487918668.db2.gz XXICFAHIRVEZNG-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO COC[C@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682164927 487921695 /nfs/dbraw/zinc/92/16/95/487921695.db2.gz DAWNEJDXOBQDKN-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682164927 487921698 /nfs/dbraw/zinc/92/16/98/487921698.db2.gz DAWNEJDXOBQDKN-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000682169451 487924247 /nfs/dbraw/zinc/92/42/47/487924247.db2.gz XUKKQWVIULWQKU-NSHDSACASA-N 1 2 236.319 0.756 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000682169451 487924249 /nfs/dbraw/zinc/92/42/49/487924249.db2.gz XUKKQWVIULWQKU-NSHDSACASA-N 1 2 236.319 0.756 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667001157 487925978 /nfs/dbraw/zinc/92/59/78/487925978.db2.gz YZHUODXHHWVNKX-JZYVYDRUSA-N 1 2 247.298 0.979 20 0 BCADLO c1n[nH]c2c1CC[N@@H+]([C@H]1CCCOC1)C2 ZINC000676794719 487926564 /nfs/dbraw/zinc/92/65/64/487926564.db2.gz ZINXYFSZPKNDHM-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@H+]([C@H]1CCCOC1)C2 ZINC000676794719 487926567 /nfs/dbraw/zinc/92/65/67/487926567.db2.gz ZINXYFSZPKNDHM-JTQLQIEISA-N 1 2 207.277 0.947 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792450 487928350 /nfs/dbraw/zinc/92/83/50/487928350.db2.gz IYAIFILWXOIXOL-NSHDSACASA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676792450 487928354 /nfs/dbraw/zinc/92/83/54/487928354.db2.gz IYAIFILWXOIXOL-NSHDSACASA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792450 487928357 /nfs/dbraw/zinc/92/83/57/487928357.db2.gz IYAIFILWXOIXOL-NSHDSACASA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792450 487928360 /nfs/dbraw/zinc/92/83/60/487928360.db2.gz IYAIFILWXOIXOL-NSHDSACASA-N 1 2 239.319 0.554 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795143 487930612 /nfs/dbraw/zinc/93/06/12/487930612.db2.gz YPJSXVFHFSGJTB-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000676795143 487930616 /nfs/dbraw/zinc/93/06/16/487930616.db2.gz YPJSXVFHFSGJTB-UHFFFAOYSA-N 1 2 234.303 0.390 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676794772 487931425 /nfs/dbraw/zinc/93/14/25/487931425.db2.gz WNRCEQJEGCCWCG-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676794772 487931427 /nfs/dbraw/zinc/93/14/27/487931427.db2.gz WNRCEQJEGCCWCG-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000669930719 487931801 /nfs/dbraw/zinc/93/18/01/487931801.db2.gz UBPOMSLFFCONOA-CNUIFLNQSA-N 1 2 243.332 0.335 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000669930719 487931805 /nfs/dbraw/zinc/93/18/05/487931805.db2.gz UBPOMSLFFCONOA-CNUIFLNQSA-N 1 2 243.332 0.335 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](C)O1 ZINC000682245511 487934701 /nfs/dbraw/zinc/93/47/01/487934701.db2.gz AXQWKZWLEODIAR-KOLCDFICSA-N 1 2 225.292 0.645 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](C)O1 ZINC000682245511 487934707 /nfs/dbraw/zinc/93/47/07/487934707.db2.gz AXQWKZWLEODIAR-KOLCDFICSA-N 1 2 225.292 0.645 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000660323981 487937856 /nfs/dbraw/zinc/93/78/56/487937856.db2.gz XFTDJSCYFVYDQR-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000660323981 487937860 /nfs/dbraw/zinc/93/78/60/487937860.db2.gz XFTDJSCYFVYDQR-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO c1n[nH]nc1CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000660323981 487937865 /nfs/dbraw/zinc/93/78/65/487937865.db2.gz XFTDJSCYFVYDQR-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO c1n[nH]nc1CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000660323981 487937869 /nfs/dbraw/zinc/93/78/69/487937869.db2.gz XFTDJSCYFVYDQR-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCN(C)C1=O ZINC000681253698 487951497 /nfs/dbraw/zinc/95/14/97/487951497.db2.gz SDLVGQBBCMHEOJ-QMMMGPOBSA-N 1 2 249.270 0.507 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994767 487952384 /nfs/dbraw/zinc/95/23/84/487952384.db2.gz KLGAAUBZBYTVEJ-RKDXNWHRSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994767 487952387 /nfs/dbraw/zinc/95/23/87/487952387.db2.gz KLGAAUBZBYTVEJ-RKDXNWHRSA-N 1 2 240.307 0.318 20 0 BCADLO CSCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000569366593 322964755 /nfs/dbraw/zinc/96/47/55/322964755.db2.gz BUKPKCDVEKWZNW-QMMMGPOBSA-N 1 2 245.373 0.964 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000564469654 322968122 /nfs/dbraw/zinc/96/81/22/322968122.db2.gz FZVGKQUCEHEFBC-GWCFXTLKSA-N 1 2 249.314 0.946 20 0 BCADLO C[C@H]1COCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559829313 322979938 /nfs/dbraw/zinc/97/99/38/322979938.db2.gz DTVPIEJOCMZVQM-CMPLNLGQSA-N 1 2 249.314 0.939 20 0 BCADLO C[C@@H]1COCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559829326 322979958 /nfs/dbraw/zinc/97/99/58/322979958.db2.gz DTVPIEJOCMZVQM-PWSUYJOCSA-N 1 2 249.314 0.939 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000561347889 323000153 /nfs/dbraw/zinc/00/01/53/323000153.db2.gz KOMWRKJWBPZQOH-DTWKUNHWSA-N 1 2 222.292 0.333 20 0 BCADLO CN(C)c1ccc(NCc2cnnn2C)[nH+]c1 ZINC000150906262 323002369 /nfs/dbraw/zinc/00/23/69/323002369.db2.gz HXCLQDPKCPFYBH-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2cnc[nH]2)CCC1=O ZINC000566686667 323010730 /nfs/dbraw/zinc/01/07/30/323010730.db2.gz DYMQLCJHOSFZCS-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)CCC1=O ZINC000566686667 323010731 /nfs/dbraw/zinc/01/07/31/323010731.db2.gz DYMQLCJHOSFZCS-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCOCC1 ZINC000562276000 323014443 /nfs/dbraw/zinc/01/44/43/323014443.db2.gz MLCOABRVONPIMG-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO C[N@H+](CC[C@@H]1CCOC1)Cc1nnc[nH]1 ZINC000562428179 323019667 /nfs/dbraw/zinc/01/96/67/323019667.db2.gz KVAFUXXZGCYSPW-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO C[N@@H+](CC[C@@H]1CCOC1)Cc1nnc[nH]1 ZINC000562428179 323019668 /nfs/dbraw/zinc/01/96/68/323019668.db2.gz KVAFUXXZGCYSPW-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC(=O)N1 ZINC000562554376 323024029 /nfs/dbraw/zinc/02/40/29/323024029.db2.gz MHMZXNDZKVEDJL-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC(=O)N1 ZINC000562554376 323024030 /nfs/dbraw/zinc/02/40/30/323024030.db2.gz MHMZXNDZKVEDJL-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO COCC[C@@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000562587912 323025191 /nfs/dbraw/zinc/02/51/91/323025191.db2.gz GULTWBDJJJBYGS-LLVKDONJSA-N 1 2 241.291 0.663 20 0 BCADLO CC(=O)C1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000562850103 323032063 /nfs/dbraw/zinc/03/20/63/323032063.db2.gz ZIKWUQXQKNADNI-SECBINFHSA-N 1 2 247.298 0.752 20 0 BCADLO CC(=O)C1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000562850103 323032064 /nfs/dbraw/zinc/03/20/64/323032064.db2.gz ZIKWUQXQKNADNI-SECBINFHSA-N 1 2 247.298 0.752 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NC(C)(C)C)C[C@H]21 ZINC000156714105 323034753 /nfs/dbraw/zinc/03/47/53/323034753.db2.gz YXNXLMJHBFWFHX-ZJUUUORDSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NC(C)(C)C)C[C@H]21 ZINC000156714105 323034754 /nfs/dbraw/zinc/03/47/54/323034754.db2.gz YXNXLMJHBFWFHX-ZJUUUORDSA-N 1 2 241.335 0.509 20 0 BCADLO COCCN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000569870361 323043474 /nfs/dbraw/zinc/04/34/74/323043474.db2.gz YFAZQFPPVDHXEY-UHFFFAOYSA-N 1 2 247.245 0.623 20 0 BCADLO C[C@@H](O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000569982257 323046395 /nfs/dbraw/zinc/04/63/95/323046395.db2.gz DDRXTOBKBISTMC-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CCCOC1)c1c[nH]c[nH+]1 ZINC000570024348 323047472 /nfs/dbraw/zinc/04/74/72/323047472.db2.gz ZYSFPTSMXLRDMC-SECBINFHSA-N 1 2 237.303 0.983 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)[nH]1 ZINC000570178783 323052248 /nfs/dbraw/zinc/05/22/48/323052248.db2.gz DZSMGGPCVQYDQQ-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000570178783 323052249 /nfs/dbraw/zinc/05/22/49/323052249.db2.gz DZSMGGPCVQYDQQ-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO C[C@@H](CC(=O)N1CC(=O)N(C)C1)n1cc[nH+]c1 ZINC000570284457 323055129 /nfs/dbraw/zinc/05/51/29/323055129.db2.gz GWKXPYMYARCCKL-VIFPVBQESA-N 1 2 236.275 0.092 20 0 BCADLO CC[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570284577 323055148 /nfs/dbraw/zinc/05/51/48/323055148.db2.gz LMHHQDWTMRCAJO-ZJUUUORDSA-N 1 2 225.292 0.721 20 0 BCADLO Cn1cc(C(C)(C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC000570334482 323056293 /nfs/dbraw/zinc/05/62/93/323056293.db2.gz AQSIWKYUUDXHRL-UHFFFAOYSA-N 1 2 247.302 0.668 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCc3[nH]nnc3C2)C1 ZINC000570408385 323058863 /nfs/dbraw/zinc/05/88/63/323058863.db2.gz AOPOVVBKKNWQLE-SECBINFHSA-N 1 2 249.318 0.031 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3[nH]nnc3C2)C1 ZINC000570408385 323058864 /nfs/dbraw/zinc/05/88/64/323058864.db2.gz AOPOVVBKKNWQLE-SECBINFHSA-N 1 2 249.318 0.031 20 0 BCADLO CC1(F)CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000570808723 323071118 /nfs/dbraw/zinc/07/11/18/323071118.db2.gz XYKKCWDGOQSVOI-UHFFFAOYSA-N 1 2 211.240 0.890 20 0 BCADLO C[C@H](CC(=O)N[C@H](C)[C@H](C)CO)n1cc[nH+]c1 ZINC000570807064 323071335 /nfs/dbraw/zinc/07/13/35/323071335.db2.gz SOTNTFDTCBTHGY-GMTAPVOTSA-N 1 2 239.319 0.967 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570826594 323071907 /nfs/dbraw/zinc/07/19/07/323071907.db2.gz HWLIUQIYHNUFCW-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2ccn[nH]2)s1 ZINC000309142359 323081798 /nfs/dbraw/zinc/08/17/98/323081798.db2.gz HOCQQECYUDKZEI-UHFFFAOYSA-N 1 2 223.305 0.902 20 0 BCADLO COc1ccc(C[N@H+](C)CCNC(C)=O)nn1 ZINC000563085641 323090243 /nfs/dbraw/zinc/09/02/43/323090243.db2.gz OJPWTJXUJASROQ-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO COc1ccc(C[N@@H+](C)CCNC(C)=O)nn1 ZINC000563085641 323090244 /nfs/dbraw/zinc/09/02/44/323090244.db2.gz OJPWTJXUJASROQ-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@@H](CO)O1 ZINC000527303552 323091540 /nfs/dbraw/zinc/09/15/40/323091540.db2.gz WVQAKTDGKTZMQC-CABZTGNLSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@@H](CO)O1 ZINC000527303552 323091541 /nfs/dbraw/zinc/09/15/41/323091541.db2.gz WVQAKTDGKTZMQC-CABZTGNLSA-N 1 2 241.287 0.354 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCc2cn[nH]n2)C1 ZINC000563119586 323094099 /nfs/dbraw/zinc/09/40/99/323094099.db2.gz ZZMPLPMQAIUHQG-SECBINFHSA-N 1 2 228.321 0.369 20 0 BCADLO C[N@H+]1CCO[C@@H](CSCc2cn[nH]n2)C1 ZINC000563119586 323094100 /nfs/dbraw/zinc/09/41/00/323094100.db2.gz ZZMPLPMQAIUHQG-SECBINFHSA-N 1 2 228.321 0.369 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCc2c[nH]nn2)C1 ZINC000563119586 323094101 /nfs/dbraw/zinc/09/41/01/323094101.db2.gz ZZMPLPMQAIUHQG-SECBINFHSA-N 1 2 228.321 0.369 20 0 BCADLO COCCOCC[N@H+](C)Cc1snnc1C ZINC000563214566 323102877 /nfs/dbraw/zinc/10/28/77/323102877.db2.gz BOIZXLIDTRIROZ-UHFFFAOYSA-N 1 2 245.348 0.941 20 0 BCADLO COCCOCC[N@@H+](C)Cc1snnc1C ZINC000563214566 323102878 /nfs/dbraw/zinc/10/28/78/323102878.db2.gz BOIZXLIDTRIROZ-UHFFFAOYSA-N 1 2 245.348 0.941 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000157654600 323105656 /nfs/dbraw/zinc/10/56/56/323105656.db2.gz STGABXNXNSLAKB-SNVBAGLBSA-N 1 2 244.335 0.642 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000157654600 323105657 /nfs/dbraw/zinc/10/56/57/323105657.db2.gz STGABXNXNSLAKB-SNVBAGLBSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)CO ZINC000571058948 323106121 /nfs/dbraw/zinc/10/61/21/323106121.db2.gz DUJGRQNTTGDAMJ-UHFFFAOYSA-N 1 2 211.265 0.353 20 0 BCADLO C[C@@H](CC(=O)NCc1ncc[nH]1)n1cc[nH+]c1 ZINC000563244352 323106587 /nfs/dbraw/zinc/10/65/87/323106587.db2.gz XIKWNSHRTFYMEO-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCn1cncn1)C1CC1 ZINC000534315197 323116302 /nfs/dbraw/zinc/11/63/02/323116302.db2.gz CVBSDXPQHOJWIC-NSHDSACASA-N 1 2 238.291 0.209 20 0 BCADLO CCN(CCO)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534325654 323116800 /nfs/dbraw/zinc/11/68/00/323116800.db2.gz PSUJPXYDARDBCM-UHFFFAOYSA-N 1 2 237.303 0.966 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1CC(C)(O)C1 ZINC000563409047 323124377 /nfs/dbraw/zinc/12/43/77/323124377.db2.gz UBCCECJSISMALO-UHFFFAOYSA-N 1 2 237.303 0.680 20 0 BCADLO Cc1cc(N2CC(O)(CO)C2)nc(C2CC2)[nH+]1 ZINC000563424724 323125918 /nfs/dbraw/zinc/12/59/18/323125918.db2.gz LTAGKVSRLGCKCY-UHFFFAOYSA-N 1 2 235.287 0.206 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310387418 323131270 /nfs/dbraw/zinc/13/12/70/323131270.db2.gz KJBHRVXAZBIBOG-AXFHLTTASA-N 1 2 235.287 0.112 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOC[C@H]1CCCO1 ZINC000152184361 323132507 /nfs/dbraw/zinc/13/25/07/323132507.db2.gz GNYFOUASTOVOAQ-SNVBAGLBSA-N 1 2 245.319 0.723 20 0 BCADLO C[C@H](C[N@@H+]1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000563628869 323132630 /nfs/dbraw/zinc/13/26/30/323132630.db2.gz IITVQZFEDLEWKC-SNVBAGLBSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@H](C[N@H+]1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000563628869 323132631 /nfs/dbraw/zinc/13/26/31/323132631.db2.gz IITVQZFEDLEWKC-SNVBAGLBSA-N 1 2 248.392 0.446 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000571104186 323135701 /nfs/dbraw/zinc/13/57/01/323135701.db2.gz MOTASQRUHXURKA-LLVKDONJSA-N 1 2 241.379 0.927 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000571104186 323135702 /nfs/dbraw/zinc/13/57/02/323135702.db2.gz MOTASQRUHXURKA-LLVKDONJSA-N 1 2 241.379 0.927 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccs1 ZINC000248636361 323136152 /nfs/dbraw/zinc/13/61/52/323136152.db2.gz QKLHVUKJFDSDIR-JGVFFNPUSA-N 1 2 214.290 0.071 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccs1 ZINC000248636361 323136153 /nfs/dbraw/zinc/13/61/53/323136153.db2.gz QKLHVUKJFDSDIR-JGVFFNPUSA-N 1 2 214.290 0.071 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCc2n[nH]cc21 ZINC000571133499 323136277 /nfs/dbraw/zinc/13/62/77/323136277.db2.gz VALYNFOONANIML-UHFFFAOYSA-N 1 2 245.286 0.665 20 0 BCADLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1nnn(C)n1 ZINC000571288623 323140341 /nfs/dbraw/zinc/14/03/41/323140341.db2.gz DNWBLPZFJZHZTD-BDAKNGLRSA-N 1 2 227.312 0.097 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)C[C@@H]1C ZINC000571415611 323144281 /nfs/dbraw/zinc/14/42/81/323144281.db2.gz BXEBMJGRBFMCDW-YWVKMMECSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)C[C@@H]1C ZINC000571415611 323144282 /nfs/dbraw/zinc/14/42/82/323144282.db2.gz BXEBMJGRBFMCDW-YWVKMMECSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)O ZINC000571417462 323144363 /nfs/dbraw/zinc/14/43/63/323144363.db2.gz RPKNVGDVXSIKHY-QMMMGPOBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)O ZINC000571417462 323144364 /nfs/dbraw/zinc/14/43/64/323144364.db2.gz RPKNVGDVXSIKHY-QMMMGPOBSA-N 1 2 225.292 0.475 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnccn2)C(C)(C)C1 ZINC000571470773 323145618 /nfs/dbraw/zinc/14/56/18/323145618.db2.gz OSEDTLZYXIBROD-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnccn2)C(C)(C)C1 ZINC000571470773 323145619 /nfs/dbraw/zinc/14/56/19/323145619.db2.gz OSEDTLZYXIBROD-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305149598 323167486 /nfs/dbraw/zinc/16/74/86/323167486.db2.gz OHFYHIWNDSAXNR-QMMMGPOBSA-N 1 2 240.225 0.107 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1ccccn1 ZINC000532073081 323171618 /nfs/dbraw/zinc/17/16/18/323171618.db2.gz PHFATDOOYZDMBZ-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1ccccn1 ZINC000532073081 323171619 /nfs/dbraw/zinc/17/16/19/323171619.db2.gz PHFATDOOYZDMBZ-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nnnn1C1CC1 ZINC000532086984 323172585 /nfs/dbraw/zinc/17/25/85/323172585.db2.gz SOCRYWCOBVWYIP-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nnnn1C1CC1 ZINC000532086984 323172586 /nfs/dbraw/zinc/17/25/86/323172586.db2.gz SOCRYWCOBVWYIP-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1ccc[nH]1 ZINC000563703377 323174402 /nfs/dbraw/zinc/17/44/02/323174402.db2.gz PRCRXWVHTMAWGX-UHFFFAOYSA-N 1 2 218.260 0.570 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@H](C)O)C1CC1 ZINC000308550480 323175356 /nfs/dbraw/zinc/17/53/56/323175356.db2.gz XIBCRGDIVREDKE-XVKPBYJWSA-N 1 2 201.266 0.299 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H](C)OC)C1CC1 ZINC000308847010 323179730 /nfs/dbraw/zinc/17/97/30/323179730.db2.gz ALDSODCHNOUQES-LDYMZIIASA-N 1 2 215.293 0.953 20 0 BCADLO CN(Cc1nnnn1C)c1[nH]c2ccccc2[nH+]1 ZINC000535686777 323188663 /nfs/dbraw/zinc/18/86/63/323188663.db2.gz SLOZIMYKOCZPSI-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO COCCOCC(=O)Nc1cc(C)[nH+]cc1C ZINC000535748924 323190349 /nfs/dbraw/zinc/19/03/49/323190349.db2.gz UMTTZVGJMICPIJ-UHFFFAOYSA-N 1 2 238.287 0.722 20 0 BCADLO Cc1ccnc(C[N@H+](C)CCN2CCCC2=O)n1 ZINC000535965370 323194819 /nfs/dbraw/zinc/19/48/19/323194819.db2.gz XKTZTYAGWKZADM-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CCN2CCCC2=O)n1 ZINC000535965370 323194820 /nfs/dbraw/zinc/19/48/20/323194820.db2.gz XKTZTYAGWKZADM-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COCCO2)c(C)c[nH+]1 ZINC000536574754 323198041 /nfs/dbraw/zinc/19/80/41/323198041.db2.gz BOJMISOGUIJCDF-NSHDSACASA-N 1 2 236.271 0.474 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)NCC1COC1 ZINC000530114216 323198620 /nfs/dbraw/zinc/19/86/20/323198620.db2.gz SPLRXSZGMIDWNT-UHFFFAOYSA-N 1 2 245.282 0.639 20 0 BCADLO Cn1cnnc1C[N@H+](CCO)C1CCC1 ZINC000221150825 323200598 /nfs/dbraw/zinc/20/05/98/323200598.db2.gz SEVSSQODZUDVDA-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO CN(Cc1nnnn1C)c1cc[nH+]c(C2CC2)n1 ZINC000532324247 323246887 /nfs/dbraw/zinc/24/68/87/323246887.db2.gz IISORKRWQAJXCY-UHFFFAOYSA-N 1 2 245.290 0.514 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cc(C2CC2)n[nH]1 ZINC000042720698 323251422 /nfs/dbraw/zinc/25/14/22/323251422.db2.gz JKGWDZCRAWNABN-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO CCOCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000532565111 323277255 /nfs/dbraw/zinc/27/72/55/323277255.db2.gz DFPMTJPPOLTDHR-UHFFFAOYSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC000532724881 323292173 /nfs/dbraw/zinc/29/21/73/323292173.db2.gz OZMQTDXEWOIBDH-NSHDSACASA-N 1 2 232.287 0.032 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000532724881 323292177 /nfs/dbraw/zinc/29/21/77/323292177.db2.gz OZMQTDXEWOIBDH-NSHDSACASA-N 1 2 232.287 0.032 20 0 BCADLO CC[C@H](O)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667247448 487961604 /nfs/dbraw/zinc/96/16/04/487961604.db2.gz DUKUVELTZUXKBD-BDAKNGLRSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@@H](NC(=O)N[C@H]1C[C@H](O)C1)c1[nH+]ccn1C ZINC000667247046 487961836 /nfs/dbraw/zinc/96/18/36/487961836.db2.gz XZELQCLLGQNAHM-IWSPIJDZSA-N 1 2 238.291 0.304 20 0 BCADLO CCNS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000537178979 324025806 /nfs/dbraw/zinc/02/58/06/324025806.db2.gz KIGJTLNQKIHKFS-UHFFFAOYSA-N 1 2 246.336 0.107 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000122655428 324052260 /nfs/dbraw/zinc/05/22/60/324052260.db2.gz AUIZVSQXBZNYON-RKDXNWHRSA-N 1 2 201.266 0.564 20 0 BCADLO CCN(CCO)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667255284 487962628 /nfs/dbraw/zinc/96/26/28/487962628.db2.gz MEUUTZCRCYLPAL-VIFPVBQESA-N 1 2 240.307 0.505 20 0 BCADLO C[C@H](NC(=O)c1cccnn1)c1[nH+]ccn1C ZINC000529525177 324324341 /nfs/dbraw/zinc/32/43/41/324324341.db2.gz QFRVTEVCJVCUFK-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)CO ZINC000653558116 487964442 /nfs/dbraw/zinc/96/44/42/487964442.db2.gz VDZCSAGMFUCKPV-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)CO ZINC000653558116 487964444 /nfs/dbraw/zinc/96/44/44/487964444.db2.gz VDZCSAGMFUCKPV-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO CCN(C)C(=O)CNc1[nH+]cccc1OC ZINC000219921221 324608440 /nfs/dbraw/zinc/60/84/40/324608440.db2.gz DOVAINOGJFJHAO-UHFFFAOYSA-N 1 2 223.276 0.980 20 0 BCADLO COC(=O)C1(O)CC[NH+](Cc2ccno2)CC1 ZINC000539884824 324873351 /nfs/dbraw/zinc/87/33/51/324873351.db2.gz CTOIQHSTSQXIMQ-UHFFFAOYSA-N 1 2 240.259 0.175 20 0 BCADLO CCCNC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661086182 487966312 /nfs/dbraw/zinc/96/63/12/487966312.db2.gz XGPFKUGXZBSBNL-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)N1CCOCC1 ZINC000542056325 325006577 /nfs/dbraw/zinc/00/65/77/325006577.db2.gz MZOHJHVYCOTSCU-UHFFFAOYSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000565186001 325009862 /nfs/dbraw/zinc/00/98/62/325009862.db2.gz RNSZDBFVQWYKNS-UHFFFAOYSA-N 1 2 247.258 0.317 20 0 BCADLO CCOCCCC(=O)NCCc1c[nH+]cn1C ZINC000542477671 325029545 /nfs/dbraw/zinc/02/95/45/325029545.db2.gz OPLNJWUIZQAOEJ-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000070991460 325048732 /nfs/dbraw/zinc/04/87/32/325048732.db2.gz BYVPYUFHYYMHTF-MRVPVSSYSA-N 1 2 248.286 0.037 20 0 BCADLO Cn1nccc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000070991100 325048981 /nfs/dbraw/zinc/04/89/81/325048981.db2.gz YJIJPXRSUUBNBO-NSCUHMNNSA-N 1 2 231.259 0.473 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)no1 ZINC000130933394 325103280 /nfs/dbraw/zinc/10/32/80/325103280.db2.gz IXTFRKPLDFZXNG-DTWKUNHWSA-N 1 2 238.291 0.512 20 0 BCADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nncn1C ZINC000543835942 325116541 /nfs/dbraw/zinc/11/65/41/325116541.db2.gz DEPXECKRQICROV-GFCCVEGCSA-N 1 2 246.314 0.947 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)nn1C ZINC000544364740 325139160 /nfs/dbraw/zinc/13/91/60/325139160.db2.gz WSQHBPPRAQWNCR-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000131468211 325154368 /nfs/dbraw/zinc/15/43/68/325154368.db2.gz MHOJCCIMRISYNB-MRVPVSSYSA-N 1 2 249.270 0.555 20 0 BCADLO Cn1c[nH+]cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000545328689 325213904 /nfs/dbraw/zinc/21/39/04/325213904.db2.gz UYMGRJGTENTAGS-UHFFFAOYSA-N 1 2 247.306 0.492 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COCCO2)cc[nH+]1 ZINC000073898037 325217091 /nfs/dbraw/zinc/21/70/91/325217091.db2.gz CPXCBFUWBMHDRJ-JTQLQIEISA-N 1 2 222.244 0.744 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000545398139 325219136 /nfs/dbraw/zinc/21/91/36/325219136.db2.gz YQTWKQQTEIXCTB-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO Cn1cnnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000545398139 325219137 /nfs/dbraw/zinc/21/91/37/325219137.db2.gz YQTWKQQTEIXCTB-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO COCCc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000545789833 325238058 /nfs/dbraw/zinc/23/80/58/325238058.db2.gz ABPYZNPTLMXMKY-VIFPVBQESA-N 1 2 240.307 0.177 20 0 BCADLO COCCc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000545789833 325238060 /nfs/dbraw/zinc/23/80/60/325238060.db2.gz ABPYZNPTLMXMKY-VIFPVBQESA-N 1 2 240.307 0.177 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)Cc1ncccc1O ZINC000564303933 325286279 /nfs/dbraw/zinc/28/62/79/325286279.db2.gz HTMZFBXWZVYWAS-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ncccc1O ZINC000564303933 325286281 /nfs/dbraw/zinc/28/62/81/325286281.db2.gz HTMZFBXWZVYWAS-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2ccnn2C)n1 ZINC000546549156 325286483 /nfs/dbraw/zinc/28/64/83/325286483.db2.gz BZGAENNXNBPBTC-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc[nH]1 ZINC000076281316 325339034 /nfs/dbraw/zinc/33/90/34/325339034.db2.gz YJLORMAWOBSXCW-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO CN1CC[N@H+](CCCc2ccncc2)CC1=O ZINC000547316647 325339726 /nfs/dbraw/zinc/33/97/26/325339726.db2.gz UAOTYYVTHRTLHT-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CN1CC[N@@H+](CCCc2ccncc2)CC1=O ZINC000547316647 325339728 /nfs/dbraw/zinc/33/97/28/325339728.db2.gz UAOTYYVTHRTLHT-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO COC(=O)C1([NH2+]CC2(CO)COC2)CCCC1 ZINC000134114366 325343668 /nfs/dbraw/zinc/34/36/68/325343668.db2.gz BXLODPRFIWBDLV-UHFFFAOYSA-N 1 2 243.303 0.071 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCO1 ZINC000547540196 325371372 /nfs/dbraw/zinc/37/13/72/325371372.db2.gz BOWHGFXENFXMTA-SNVBAGLBSA-N 1 2 223.276 0.258 20 0 BCADLO CN(CCn1cccn1)C(=O)Cc1c[nH+]cn1C ZINC000547539675 325371470 /nfs/dbraw/zinc/37/14/70/325371470.db2.gz KHUJYSTYTUCUGH-UHFFFAOYSA-N 1 2 247.302 0.318 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCCO1 ZINC000547603825 325374138 /nfs/dbraw/zinc/37/41/38/325374138.db2.gz CEPVNJJYFAPFQQ-NSHDSACASA-N 1 2 237.303 0.648 20 0 BCADLO O=C(NCCCF)NCCCn1cc[nH+]c1 ZINC000134737270 325374472 /nfs/dbraw/zinc/37/44/72/325374472.db2.gz PUPSJWGPVNCVNH-UHFFFAOYSA-N 1 2 228.271 0.932 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1C[C@@](C)(O)C1 ZINC000579859410 487967442 /nfs/dbraw/zinc/96/74/42/487967442.db2.gz QYSXENPZZDKTHE-MHWOZMEASA-N 1 2 248.290 0.271 20 0 BCADLO Cc1nnc(N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000077488801 325379928 /nfs/dbraw/zinc/37/99/28/325379928.db2.gz AEBKKGPYTQPGOK-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO CO[C@H](C(=O)NCCc1c[nH+]cn1C)C(C)C ZINC000547804326 325400554 /nfs/dbraw/zinc/40/05/54/325400554.db2.gz JYULTCVPGMYTHE-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCO1 ZINC000548434847 325458092 /nfs/dbraw/zinc/45/80/92/325458092.db2.gz GWIGOZSYJSCOML-UHFFFAOYSA-N 1 2 245.242 0.440 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ccncn1 ZINC000548634667 325470037 /nfs/dbraw/zinc/47/00/37/325470037.db2.gz JBVMJERWDQPRSU-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO Cc1nc(N2C[C@@H]3COC[C@]3(C)C2)nc(N)[nH+]1 ZINC000631362104 487968345 /nfs/dbraw/zinc/96/83/45/487968345.db2.gz UTBSUHBUQFRTJP-KCJUWKMLSA-N 1 2 235.291 0.235 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3COC[C@]3(C)C2)[nH+]1 ZINC000631362104 487968350 /nfs/dbraw/zinc/96/83/50/487968350.db2.gz UTBSUHBUQFRTJP-KCJUWKMLSA-N 1 2 235.291 0.235 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)ncn1 ZINC000082303443 325536755 /nfs/dbraw/zinc/53/67/55/325536755.db2.gz SDNVJPAFURHQRM-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCCSC1)[C@@H](C)O ZINC000249157365 325639533 /nfs/dbraw/zinc/63/95/33/325639533.db2.gz ZBUMXOXMPWPSBS-HRDYMLBCSA-N 1 2 233.333 0.394 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)O)[C@@H](C)CC ZINC000249591487 325656802 /nfs/dbraw/zinc/65/68/02/325656802.db2.gz PEHORVPUBHCBME-LPEHRKFASA-N 1 2 217.309 0.935 20 0 BCADLO COCC(C)(C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000554008768 325702576 /nfs/dbraw/zinc/70/25/76/325702576.db2.gz QYWAVRPQAVNHIQ-UHFFFAOYSA-N 1 2 239.319 0.846 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)Cc1c[nH+]cn1C ZINC000564677864 325802894 /nfs/dbraw/zinc/80/28/94/325802894.db2.gz RWKIILXZNIANLM-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO C[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682498063 487970983 /nfs/dbraw/zinc/97/09/83/487970983.db2.gz BDSGELIZFPEKPG-ZETCQYMHSA-N 1 2 205.217 0.654 20 0 BCADLO Cc1cnn(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000565721091 325948295 /nfs/dbraw/zinc/94/82/95/325948295.db2.gz LXYLAKVXJZRXHM-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO C[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682498061 487971057 /nfs/dbraw/zinc/97/10/57/487971057.db2.gz BDSGELIZFPEKPG-SSDOTTSWSA-N 1 2 205.217 0.654 20 0 BCADLO CC(=O)CN(CC(C)C)C(=O)Cn1cc[nH+]c1 ZINC000565768914 325953509 /nfs/dbraw/zinc/95/35/09/325953509.db2.gz VWGMVNQUOUGWPE-UHFFFAOYSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H](C(=O)Nc1nncn1C1CC1)[NH+]1CC(C)C1 ZINC000566019988 325985852 /nfs/dbraw/zinc/98/58/52/325985852.db2.gz ZIYKMLVNIWGCEE-SECBINFHSA-N 1 2 249.318 0.892 20 0 BCADLO CCN(C(=O)[C@H]1CSC[NH2+]1)c1cnn(C)c1 ZINC000655522317 487971413 /nfs/dbraw/zinc/97/14/13/487971413.db2.gz QZGLHLZHJFSGBA-SECBINFHSA-N 1 2 240.332 0.436 20 0 BCADLO CCc1ncc(C[NH+]2CC(C)(C(N)=O)C2)cn1 ZINC000566248090 326023491 /nfs/dbraw/zinc/02/34/91/326023491.db2.gz LUZZQATVKAMZTA-UHFFFAOYSA-N 1 2 234.303 0.346 20 0 BCADLO COC(=O)CC1([NH2+]Cc2csnn2)CC1 ZINC000566307867 326032192 /nfs/dbraw/zinc/03/21/92/326032192.db2.gz BKBKPTQTVFVWHF-UHFFFAOYSA-N 1 2 227.289 0.723 20 0 BCADLO C[C@@H](C(=O)N1CC2(CC2)C1)[NH+]1CCOCC1 ZINC000566457347 326050709 /nfs/dbraw/zinc/05/07/09/326050709.db2.gz RHOKOJWHHSUXHK-JTQLQIEISA-N 1 2 224.304 0.330 20 0 BCADLO Cc1ncncc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566472224 326053052 /nfs/dbraw/zinc/05/30/52/326053052.db2.gz CSGBDVVGFUMITF-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@H](CO)C1 ZINC000566532433 326062024 /nfs/dbraw/zinc/06/20/24/326062024.db2.gz FWRIGXJUVHWZMX-JTQLQIEISA-N 1 2 223.276 0.291 20 0 BCADLO CCOC1(C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000567015077 326101428 /nfs/dbraw/zinc/10/14/28/326101428.db2.gz SXQHABYUCCPVEU-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO Cc1nn(C)c(C)c1C[NH+]1CCOCC1 ZINC000154667616 326156397 /nfs/dbraw/zinc/15/63/97/326156397.db2.gz YCBLQXXTLNRVPT-UHFFFAOYSA-N 1 2 209.293 0.869 20 0 BCADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000567320586 326160561 /nfs/dbraw/zinc/16/05/61/326160561.db2.gz QOHWECRCFBSUII-NSHDSACASA-N 1 2 223.276 0.426 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000309848003 326171513 /nfs/dbraw/zinc/17/15/13/326171513.db2.gz VPHJUWSFQUCYIM-CMPLNLGQSA-N 1 2 229.320 0.935 20 0 BCADLO Cc1nnc(C[NH2+]C(C)(C)C(=O)N(C)C)[nH]1 ZINC000309966397 326177310 /nfs/dbraw/zinc/17/73/10/326177310.db2.gz NPVNCEWCMDLQQV-UHFFFAOYSA-N 1 2 225.296 0.070 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cscn2)CO1 ZINC000567388902 326181749 /nfs/dbraw/zinc/18/17/49/326181749.db2.gz JMRPPVDHCKHINO-ZXFLCMHBSA-N 1 2 241.316 0.437 20 0 BCADLO CC[N@H+](CC(=O)NC[C@H]1CCCO1)C1COC1 ZINC000567455274 326196008 /nfs/dbraw/zinc/19/60/08/326196008.db2.gz SVKBMTKWLKPDFG-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)C1COC1 ZINC000567455274 326196010 /nfs/dbraw/zinc/19/60/10/326196010.db2.gz SVKBMTKWLKPDFG-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC000156272652 326225722 /nfs/dbraw/zinc/22/57/22/326225722.db2.gz IFUMQRKINSASTQ-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC000156272652 326225725 /nfs/dbraw/zinc/22/57/25/326225725.db2.gz IFUMQRKINSASTQ-RKDXNWHRSA-N 1 2 200.282 0.184 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567615660 326229899 /nfs/dbraw/zinc/22/98/99/326229899.db2.gz CKQRJEURLARHJU-APPZFPTMSA-N 1 2 223.276 0.554 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156517191 326234535 /nfs/dbraw/zinc/23/45/35/326234535.db2.gz BEJIOEQNMZUFMM-ZJUUUORDSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156517191 326234536 /nfs/dbraw/zinc/23/45/36/326234536.db2.gz BEJIOEQNMZUFMM-ZJUUUORDSA-N 1 2 214.309 0.620 20 0 BCADLO c1ncn(CC[N@@H+]2Cc3cccnc3C2)n1 ZINC000567724649 326251444 /nfs/dbraw/zinc/25/14/44/326251444.db2.gz SACQVWVPXPADRT-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1ncn(CC[N@H+]2Cc3cccnc3C2)n1 ZINC000567724649 326251447 /nfs/dbraw/zinc/25/14/47/326251447.db2.gz SACQVWVPXPADRT-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2COC[C@H]2OC)o1 ZINC000567812706 326261591 /nfs/dbraw/zinc/26/15/91/326261591.db2.gz FCVCBLNUKHPYLR-HTQZYQBOSA-N 1 2 227.264 0.135 20 0 BCADLO OCC[C@H]([NH2+]CC1(O)CCC1)C(F)F ZINC000567873076 326274504 /nfs/dbraw/zinc/27/45/04/326274504.db2.gz MSIUBRZTHXANLY-ZETCQYMHSA-N 1 2 209.236 0.507 20 0 BCADLO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000567898089 326279198 /nfs/dbraw/zinc/27/91/98/326279198.db2.gz QWSXVEZJHRBSRG-KNVOCYPGSA-N 1 2 231.259 0.634 20 0 BCADLO CCC1(CNC(=O)Cn2cc[nH+]c2)COC1 ZINC000568068894 326303627 /nfs/dbraw/zinc/30/36/27/326303627.db2.gz WARZMEBNDSHJNE-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@]23CCNC3=O)nc1 ZINC000568178656 326321161 /nfs/dbraw/zinc/32/11/61/326321161.db2.gz VDBWIDDPDLDFHH-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@]23CCNC3=O)nc1 ZINC000568178656 326321163 /nfs/dbraw/zinc/32/11/63/326321163.db2.gz VDBWIDDPDLDFHH-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO COC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000568195908 326324359 /nfs/dbraw/zinc/32/43/59/326324359.db2.gz ULTORIXUZZEKKY-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](NC(=O)c1ncn(C)n1)c1[nH]cc[nH+]1 ZINC000568233429 326330917 /nfs/dbraw/zinc/33/09/17/326330917.db2.gz OHZGESTVMCKWQH-ZCFIWIBFSA-N 1 2 220.236 0.029 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)[C@H](C)O1 ZINC000568341753 326345708 /nfs/dbraw/zinc/34/57/08/326345708.db2.gz LDKNMDBFZPVXQL-MXWKQRLJSA-N 1 2 237.303 0.907 20 0 BCADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccoc1 ZINC000568573352 326365405 /nfs/dbraw/zinc/36/54/05/326365405.db2.gz ABWUVOASLOHBTE-UHFFFAOYSA-N 1 2 213.218 0.804 20 0 BCADLO CN(CCCn1cc[nH+]c1)c1cc(=O)n(C)cn1 ZINC000568646711 326370701 /nfs/dbraw/zinc/37/07/01/326370701.db2.gz IIWNNFVSYONCES-UHFFFAOYSA-N 1 2 247.302 0.503 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H](C)Cn1cncn1 ZINC000568663995 326371999 /nfs/dbraw/zinc/37/19/99/326371999.db2.gz JVFWHCNUSYJGNB-SSDOTTSWSA-N 1 2 249.278 0.160 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)Cn1cncn1 ZINC000568663995 326372001 /nfs/dbraw/zinc/37/20/01/326372001.db2.gz JVFWHCNUSYJGNB-SSDOTTSWSA-N 1 2 249.278 0.160 20 0 BCADLO Cc1nc(C[NH2+]C(CO)CO)nc2ccccc12 ZINC000568880661 326380690 /nfs/dbraw/zinc/38/06/90/326380690.db2.gz RDLSOOCJVQOZAC-UHFFFAOYSA-N 1 2 247.298 0.381 20 0 BCADLO Cn1cnc(NCCCCn2cc[nH+]c2)cc1=O ZINC000569258529 326398118 /nfs/dbraw/zinc/39/81/18/326398118.db2.gz GAEHAJQJLWLCBM-UHFFFAOYSA-N 1 2 247.302 0.869 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1CCSCC1 ZINC000569298872 326399350 /nfs/dbraw/zinc/39/93/50/326399350.db2.gz AIKMFFSYEBRZEI-UHFFFAOYSA-N 1 2 225.317 0.895 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cncnc1C ZINC000573019495 326425046 /nfs/dbraw/zinc/42/50/46/326425046.db2.gz YZBDVNKEDUTGHH-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682518849 487974919 /nfs/dbraw/zinc/97/49/19/487974919.db2.gz ABEZGMRZXNVOAF-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147995 487979778 /nfs/dbraw/zinc/97/97/78/487979778.db2.gz AUTSKOUSGNTFJS-DTWKUNHWSA-N 1 2 223.276 0.349 20 0 BCADLO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cscn1 ZINC000134395760 487981284 /nfs/dbraw/zinc/98/12/84/487981284.db2.gz UFNJGCSDVZOGQN-BHNWBGBOSA-N 1 2 214.290 0.553 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CC[C@H]1CCNC1=O)CC2 ZINC000653612411 487982376 /nfs/dbraw/zinc/98/23/76/487982376.db2.gz OQJAWJHXOXPVBO-LLVKDONJSA-N 1 2 248.330 0.533 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CC[C@H]1CCNC1=O)CC2 ZINC000653612411 487982379 /nfs/dbraw/zinc/98/23/79/487982379.db2.gz OQJAWJHXOXPVBO-LLVKDONJSA-N 1 2 248.330 0.533 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CC2)C[C@@H]1C ZINC000677152045 487984192 /nfs/dbraw/zinc/98/41/92/487984192.db2.gz LMNMUABZBHJJSJ-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CC2)C[C@@H]1C ZINC000677152045 487984197 /nfs/dbraw/zinc/98/41/97/487984197.db2.gz LMNMUABZBHJJSJ-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO O=S(=O)(NCc1c[nH+]c[nH]1)N1CCCCC1 ZINC000084081898 487996506 /nfs/dbraw/zinc/99/65/06/487996506.db2.gz IINGIFJHMRZYKW-UHFFFAOYSA-N 1 2 244.320 0.230 20 0 BCADLO O=S(=O)(NCc1c[nH]c[nH+]1)N1CCCCC1 ZINC000084081898 487996509 /nfs/dbraw/zinc/99/65/09/487996509.db2.gz IINGIFJHMRZYKW-UHFFFAOYSA-N 1 2 244.320 0.230 20 0 BCADLO O=C(Cn1cc(C2CC2)cn1)NCc1[nH]cc[nH+]1 ZINC000668604512 487997253 /nfs/dbraw/zinc/99/72/53/487997253.db2.gz PXXFUUXXUSIQAV-UHFFFAOYSA-N 1 2 245.286 0.800 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)c2ccncc2)CC1 ZINC000214401587 487998385 /nfs/dbraw/zinc/99/83/85/487998385.db2.gz JAFSQOBAIPBCAI-UHFFFAOYSA-N 1 2 241.316 0.018 20 0 BCADLO COCCN(C)c1nc[nH+]c(N)c1OC ZINC000134839767 488000794 /nfs/dbraw/zinc/00/07/94/488000794.db2.gz KQVVSURFMOUNHA-UHFFFAOYSA-N 1 2 212.253 0.150 20 0 BCADLO COCCN(C)c1[nH+]cnc(N)c1OC ZINC000134839767 488000800 /nfs/dbraw/zinc/00/08/00/488000800.db2.gz KQVVSURFMOUNHA-UHFFFAOYSA-N 1 2 212.253 0.150 20 0 BCADLO COc1c(N)[nH+]cnc1NC1CCOCC1 ZINC000134831042 488000922 /nfs/dbraw/zinc/00/09/22/488000922.db2.gz AIMFVVIBKDDWQC-UHFFFAOYSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1NC1CCOCC1 ZINC000134831042 488000926 /nfs/dbraw/zinc/00/09/26/488000926.db2.gz AIMFVVIBKDDWQC-UHFFFAOYSA-N 1 2 224.264 0.658 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)CCC1=O ZINC000052732322 488004253 /nfs/dbraw/zinc/00/42/53/488004253.db2.gz YAGCESPFOWUVQP-UHFFFAOYSA-N 1 2 205.217 0.313 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cn[nH]c1 ZINC000682645062 488005837 /nfs/dbraw/zinc/00/58/37/488005837.db2.gz UGDSTIBCASCZHI-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cn[nH]c1 ZINC000682645062 488005842 /nfs/dbraw/zinc/00/58/42/488005842.db2.gz UGDSTIBCASCZHI-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000682673983 488010561 /nfs/dbraw/zinc/01/05/61/488010561.db2.gz ZJSNVDXAZDNMAG-SNVBAGLBSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000682673983 488010567 /nfs/dbraw/zinc/01/05/67/488010567.db2.gz ZJSNVDXAZDNMAG-SNVBAGLBSA-N 1 2 227.308 0.627 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC([C@@H](C)O)CC2)C1=O ZINC000682676672 488012379 /nfs/dbraw/zinc/01/23/79/488012379.db2.gz BYJSEGLVDULGJB-MWLCHTKSSA-N 1 2 242.319 0.242 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CON(CC)C2=O)CCS1 ZINC000682678409 488013531 /nfs/dbraw/zinc/01/35/31/488013531.db2.gz SBTFGTMLFOOQHG-ZJUUUORDSA-N 1 2 244.360 0.976 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CON(CC)C2=O)CCS1 ZINC000682678409 488013534 /nfs/dbraw/zinc/01/35/34/488013534.db2.gz SBTFGTMLFOOQHG-ZJUUUORDSA-N 1 2 244.360 0.976 20 0 BCADLO CCCCOCC[N@@H+]1CCOC[C@H]1CO ZINC000159256536 488017095 /nfs/dbraw/zinc/01/70/95/488017095.db2.gz GBKMFIKCQJDGJP-LLVKDONJSA-N 1 2 217.309 0.496 20 0 BCADLO CCCCOCC[N@H+]1CCOC[C@H]1CO ZINC000159256536 488017099 /nfs/dbraw/zinc/01/70/99/488017099.db2.gz GBKMFIKCQJDGJP-LLVKDONJSA-N 1 2 217.309 0.496 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682688443 488017278 /nfs/dbraw/zinc/01/72/78/488017278.db2.gz ZDDYUPWBCGLGEB-MXWKQRLJSA-N 1 2 249.314 0.427 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCOC[C@H]1CO ZINC000159274494 488019311 /nfs/dbraw/zinc/01/93/11/488019311.db2.gz VVLOEOILRFYHPQ-LLVKDONJSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cccnc1C[N@H+]1CCOC[C@H]1CO ZINC000159274494 488019313 /nfs/dbraw/zinc/01/93/13/488019313.db2.gz VVLOEOILRFYHPQ-LLVKDONJSA-N 1 2 222.288 0.583 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000667478683 488021323 /nfs/dbraw/zinc/02/13/23/488021323.db2.gz KDSLUYHKYCBPLK-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000667478683 488021328 /nfs/dbraw/zinc/02/13/28/488021328.db2.gz KDSLUYHKYCBPLK-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682776457 488037707 /nfs/dbraw/zinc/03/77/07/488037707.db2.gz NYGKHRKFNTZBCH-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H](O)CCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682776457 488037712 /nfs/dbraw/zinc/03/77/12/488037712.db2.gz NYGKHRKFNTZBCH-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(N)nc2)C[C@@H](CO)O1 ZINC000230020378 488037747 /nfs/dbraw/zinc/03/77/47/488037747.db2.gz NTLFKELRAYIODZ-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@@H](CO)O1 ZINC000230020378 488037752 /nfs/dbraw/zinc/03/77/52/488037752.db2.gz NTLFKELRAYIODZ-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2ncccn2)C1 ZINC000401704350 488049296 /nfs/dbraw/zinc/04/92/96/488049296.db2.gz CKPOYVQMFGBWDG-GFCCVEGCSA-N 1 2 237.303 0.450 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2ncccn2)C1 ZINC000401704350 488049298 /nfs/dbraw/zinc/04/92/98/488049298.db2.gz CKPOYVQMFGBWDG-GFCCVEGCSA-N 1 2 237.303 0.450 20 0 BCADLO CCN1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1=O ZINC000670325551 488049810 /nfs/dbraw/zinc/04/98/10/488049810.db2.gz PIUKBWHTZPEDEN-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO CN1C(=O)CC[C@@H]([NH2+]Cc2nccs2)C1=O ZINC000084406687 488050953 /nfs/dbraw/zinc/05/09/53/488050953.db2.gz JPQOYRTVDXTOCU-SSDOTTSWSA-N 1 2 239.300 0.380 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCNC(=O)CC1 ZINC000667599300 488056058 /nfs/dbraw/zinc/05/60/58/488056058.db2.gz QZJNNGWWQPAUCV-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+]1CCNC(=O)CC1 ZINC000667599300 488056060 /nfs/dbraw/zinc/05/60/60/488056060.db2.gz QZJNNGWWQPAUCV-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Nc1[nH+]cnc(NC[C@@H]2CCC(=O)N2)c1Cl ZINC000236391914 488057940 /nfs/dbraw/zinc/05/79/40/488057940.db2.gz PRVDSHXYGHCOOD-YFKPBYRVSA-N 1 2 241.682 0.403 20 0 BCADLO Nc1nc[nH+]c(NC[C@@H]2CCC(=O)N2)c1Cl ZINC000236391914 488057942 /nfs/dbraw/zinc/05/79/42/488057942.db2.gz PRVDSHXYGHCOOD-YFKPBYRVSA-N 1 2 241.682 0.403 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnco2)CCO1 ZINC000677530843 488066129 /nfs/dbraw/zinc/06/61/29/488066129.db2.gz OZNYDXXUYQOIPB-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnco2)CCO1 ZINC000677530843 488066133 /nfs/dbraw/zinc/06/61/33/488066133.db2.gz OZNYDXXUYQOIPB-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2nc(C)no2)C1 ZINC000401798778 488069227 /nfs/dbraw/zinc/06/92/27/488069227.db2.gz LFWWUSWBXRCGEC-LLVKDONJSA-N 1 2 241.291 0.351 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000401798778 488069231 /nfs/dbraw/zinc/06/92/31/488069231.db2.gz LFWWUSWBXRCGEC-LLVKDONJSA-N 1 2 241.291 0.351 20 0 BCADLO COC1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC000656269240 488073783 /nfs/dbraw/zinc/07/37/83/488073783.db2.gz MYRCQNUAOLABRW-UHFFFAOYSA-N 1 2 239.323 0.695 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667652657 488075616 /nfs/dbraw/zinc/07/56/16/488075616.db2.gz GGBSVJOMQFOSRY-SECBINFHSA-N 1 2 248.286 0.004 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667653363 488075682 /nfs/dbraw/zinc/07/56/82/488075682.db2.gz YUIJVAQANZARQL-IUCAKERBSA-N 1 2 248.286 0.352 20 0 BCADLO C[C@H](NC(=O)c1cnco1)[C@H]1C[N@H+](C)CCO1 ZINC000677583007 488079160 /nfs/dbraw/zinc/07/91/60/488079160.db2.gz SOSVEYOLKKLMTE-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1cnco1)[C@H]1C[N@@H+](C)CCO1 ZINC000677583007 488079167 /nfs/dbraw/zinc/07/91/67/488079167.db2.gz SOSVEYOLKKLMTE-WCBMZHEXSA-N 1 2 239.275 0.124 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C[C@H](C)O)s1 ZINC000685589642 488086349 /nfs/dbraw/zinc/08/63/49/488086349.db2.gz AJJMEFCMMGODRH-QMMMGPOBSA-N 1 2 245.348 0.276 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C[C@H](C)O)s1 ZINC000685589642 488086352 /nfs/dbraw/zinc/08/63/52/488086352.db2.gz AJJMEFCMMGODRH-QMMMGPOBSA-N 1 2 245.348 0.276 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000682531554 488096008 /nfs/dbraw/zinc/09/60/08/488096008.db2.gz OHIYVHMFYVBACH-BQBZGAKWSA-N 1 2 231.250 0.858 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000682531554 488096013 /nfs/dbraw/zinc/09/60/13/488096013.db2.gz OHIYVHMFYVBACH-BQBZGAKWSA-N 1 2 231.250 0.858 20 0 BCADLO NC(=O)N[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000667711479 488097566 /nfs/dbraw/zinc/09/75/66/488097566.db2.gz HISXUUHEFHFKKV-VIFPVBQESA-N 1 2 249.318 0.072 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000677728816 488106574 /nfs/dbraw/zinc/10/65/74/488106574.db2.gz XNLLMNNLCPYGNK-WCBMZHEXSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000677728816 488106579 /nfs/dbraw/zinc/10/65/79/488106579.db2.gz XNLLMNNLCPYGNK-WCBMZHEXSA-N 1 2 236.319 0.648 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nc(C)no2)C[C@@H]1OC ZINC000683097533 488107380 /nfs/dbraw/zinc/10/73/80/488107380.db2.gz SVVBVBSWJHFSAR-QNSHHTMESA-N 1 2 241.291 0.785 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)c2nc(C)no2)C[C@@H]1OC ZINC000683097533 488107381 /nfs/dbraw/zinc/10/73/81/488107381.db2.gz SVVBVBSWJHFSAR-QNSHHTMESA-N 1 2 241.291 0.785 20 0 BCADLO COCc1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000683146009 488120151 /nfs/dbraw/zinc/12/01/51/488120151.db2.gz FOZMNEVDLHAJPP-KCJUWKMLSA-N 1 2 241.291 0.873 20 0 BCADLO COCC1([N@H+](C)Cc2cn(C)nn2)CC1 ZINC000677765333 488120520 /nfs/dbraw/zinc/12/05/20/488120520.db2.gz KFRXGVWIJJPUGJ-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC1([N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000677765333 488120524 /nfs/dbraw/zinc/12/05/24/488120524.db2.gz KFRXGVWIJJPUGJ-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CC1CC1 ZINC000678383854 488127477 /nfs/dbraw/zinc/12/74/77/488127477.db2.gz ASQXXARRYQMMGR-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)C[C@H](O)C1 ZINC000677807480 488127758 /nfs/dbraw/zinc/12/77/58/488127758.db2.gz OSCBDUYMAFCJIJ-AOOOYVTPSA-N 1 2 247.298 0.505 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000074448474 487545419 /nfs/dbraw/zinc/54/54/19/487545419.db2.gz UIYKCQMBJTYKLZ-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO CNC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000074448474 487545425 /nfs/dbraw/zinc/54/54/25/487545425.db2.gz UIYKCQMBJTYKLZ-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC(F)C1 ZINC000680262851 487555839 /nfs/dbraw/zinc/55/58/39/487555839.db2.gz USVBJIHXYQXRKD-UHFFFAOYSA-N 1 2 211.240 0.844 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cocn1 ZINC000685469343 487531471 /nfs/dbraw/zinc/53/14/71/487531471.db2.gz AZTIBILJWIBJEB-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cocn1 ZINC000685469343 487531472 /nfs/dbraw/zinc/53/14/72/487531472.db2.gz AZTIBILJWIBJEB-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO COc1ccnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000680071055 487532046 /nfs/dbraw/zinc/53/20/46/487532046.db2.gz QJARKMUNEBCSKS-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000680071055 487532051 /nfs/dbraw/zinc/53/20/51/487532051.db2.gz QJARKMUNEBCSKS-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)C[C@@H]2C)c1 ZINC000680071055 487532056 /nfs/dbraw/zinc/53/20/56/487532056.db2.gz QJARKMUNEBCSKS-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccncc1C ZINC000668788049 487532545 /nfs/dbraw/zinc/53/25/45/487532545.db2.gz JYMROQZXASBNQI-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccncc1C ZINC000668788049 487532547 /nfs/dbraw/zinc/53/25/47/487532547.db2.gz JYMROQZXASBNQI-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@H]2CCNC2=O)no1 ZINC000380350117 487471522 /nfs/dbraw/zinc/47/15/22/487471522.db2.gz UZBPJIGHYWXOTJ-YUMQZZPRSA-N 1 2 209.249 0.522 20 0 BCADLO CCCCNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673927163 487481766 /nfs/dbraw/zinc/48/17/66/487481766.db2.gz ASPWOHJAGGWSNE-UHFFFAOYSA-N 1 2 224.308 0.758 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673927163 487481771 /nfs/dbraw/zinc/48/17/71/487481771.db2.gz ASPWOHJAGGWSNE-UHFFFAOYSA-N 1 2 224.308 0.758 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1nccc(N)n1)CC2 ZINC000679868415 487477566 /nfs/dbraw/zinc/47/75/66/487477566.db2.gz WTWDSZAOZMJVAR-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)ccn1C ZINC000684968791 487477931 /nfs/dbraw/zinc/47/79/31/487477931.db2.gz XVVRGQBOFIPLFB-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cn1ccc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000673934087 487484640 /nfs/dbraw/zinc/48/46/40/487484640.db2.gz HJGQYHQHUWBMGX-UHFFFAOYSA-N 1 2 218.216 0.195 20 0 BCADLO COc1ccnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000673935755 487485424 /nfs/dbraw/zinc/48/54/24/487485424.db2.gz OSWAYXFDISVMPO-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ccnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000673935755 487485428 /nfs/dbraw/zinc/48/54/28/487485428.db2.gz OSWAYXFDISVMPO-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO C[C@@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000673961536 487491399 /nfs/dbraw/zinc/49/13/99/487491399.db2.gz SZHBVLRVAWFMGK-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO Cc1c[nH]nc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000380841305 487488320 /nfs/dbraw/zinc/48/83/20/487488320.db2.gz UKFIRKXUBRBTJE-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cncc2ncnn21 ZINC000679925564 487489539 /nfs/dbraw/zinc/48/95/39/487489539.db2.gz BXACELDWFIBQHY-UHFFFAOYSA-N 1 2 243.274 0.494 20 0 BCADLO O=C(Cc1cscn1)N1CC(n2cc[nH+]c2)C1 ZINC000668758744 487492327 /nfs/dbraw/zinc/49/23/27/487492327.db2.gz HAMROGGBGZCXSV-UHFFFAOYSA-N 1 2 248.311 0.966 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000685036712 487493256 /nfs/dbraw/zinc/49/32/56/487493256.db2.gz JNHIDXHRSJZPMV-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000685036712 487493257 /nfs/dbraw/zinc/49/32/57/487493257.db2.gz JNHIDXHRSJZPMV-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1ncnn1CCF ZINC000685037859 487495046 /nfs/dbraw/zinc/49/50/46/487495046.db2.gz MTUJRIMCHZZPMA-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1ncnn1CCF ZINC000685037859 487495053 /nfs/dbraw/zinc/49/50/53/487495053.db2.gz MTUJRIMCHZZPMA-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nnnn1C ZINC000679942884 487499650 /nfs/dbraw/zinc/49/96/50/487499650.db2.gz SIFZHEJOCRZHCM-SECBINFHSA-N 1 2 232.291 0.764 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cncc(O)c2)C[C@@H]1C ZINC000111740198 487499906 /nfs/dbraw/zinc/49/99/06/487499906.db2.gz HNXNRZJRLGJGPU-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cncc(O)c2)C[C@@H]1C ZINC000111740198 487499910 /nfs/dbraw/zinc/49/99/10/487499910.db2.gz HNXNRZJRLGJGPU-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO O[C@]1(Cn2ccnn2)CCN(c2cccc[nH+]2)C1 ZINC000671467293 487513008 /nfs/dbraw/zinc/51/30/08/487513008.db2.gz WHZLNXQALGHPAD-GFCCVEGCSA-N 1 2 245.286 0.315 20 0 BCADLO C[C@@H](c1nnnn1C)N(C)Cc1[nH]cc[nH+]1 ZINC000685411829 487517330 /nfs/dbraw/zinc/51/73/30/487517330.db2.gz BWKVTNLWDWCQJE-ZETCQYMHSA-N 1 2 221.268 0.126 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccon2)C1 ZINC000685414452 487517543 /nfs/dbraw/zinc/51/75/43/487517543.db2.gz OKKQJMHLNJEXAY-UHFFFAOYSA-N 1 2 209.249 0.243 20 0 BCADLO Cc1cc(N2CC[C@@H](S(C)(=O)=O)C2)nc[nH+]1 ZINC000669662646 487518286 /nfs/dbraw/zinc/51/82/86/487518286.db2.gz BNMHLXXEKCOHOT-SECBINFHSA-N 1 2 241.316 0.408 20 0 BCADLO Cc1cc(N2CC[C@H](S(C)(=O)=O)C2)nc[nH+]1 ZINC000669662647 487518787 /nfs/dbraw/zinc/51/87/87/487518787.db2.gz BNMHLXXEKCOHOT-VIFPVBQESA-N 1 2 241.316 0.408 20 0 BCADLO CO[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000294529698 488154589 /nfs/dbraw/zinc/15/45/89/488154589.db2.gz LCESBLYJKRUULN-NSHDSACASA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000294529698 488154594 /nfs/dbraw/zinc/15/45/94/488154594.db2.gz LCESBLYJKRUULN-NSHDSACASA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)[C@](C)([NH2+]Cc1csnn1)C(N)=O ZINC000379893619 488155029 /nfs/dbraw/zinc/15/50/29/488155029.db2.gz GATDMKAQEGHKSL-VIFPVBQESA-N 1 2 228.321 0.528 20 0 BCADLO OCC1(C[N@@H+]2CCCC(F)(F)C2)COC1 ZINC000259255871 488156236 /nfs/dbraw/zinc/15/62/36/488156236.db2.gz AOSGBUBDQYLSDG-UHFFFAOYSA-N 1 2 221.247 0.726 20 0 BCADLO OCC1(C[N@H+]2CCCC(F)(F)C2)COC1 ZINC000259255871 488156239 /nfs/dbraw/zinc/15/62/39/488156239.db2.gz AOSGBUBDQYLSDG-UHFFFAOYSA-N 1 2 221.247 0.726 20 0 BCADLO CCc1nn(C)cc1C[N@H+](C)CC(=O)NC ZINC000668788696 487535234 /nfs/dbraw/zinc/53/52/34/487535234.db2.gz SATLPIIHAQRRER-UHFFFAOYSA-N 1 2 224.308 0.160 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](C)CC(=O)NC ZINC000668788696 487535244 /nfs/dbraw/zinc/53/52/44/487535244.db2.gz SATLPIIHAQRRER-UHFFFAOYSA-N 1 2 224.308 0.160 20 0 BCADLO Cn1ncc2c1nc(N1CCC3(CC3)C1)[nH+]c2N ZINC000685919046 487597707 /nfs/dbraw/zinc/59/77/07/487597707.db2.gz XRYRXSVISJEKPA-UHFFFAOYSA-N 1 2 244.302 0.936 20 0 BCADLO CN(c1cc(-n2cc[nH+]c2)ncn1)C1CC(O)C1 ZINC000680530066 487612793 /nfs/dbraw/zinc/61/27/93/487612793.db2.gz JQQHRDBWUXWRHQ-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(CO)CC2)c[nH+]1 ZINC000676341652 487839899 /nfs/dbraw/zinc/83/98/99/487839899.db2.gz ALRXMVOZUVVSRH-UHFFFAOYSA-N 1 2 209.249 0.220 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666725310 487865059 /nfs/dbraw/zinc/86/50/59/487865059.db2.gz GDIVURACMLRBPU-ZCFIWIBFSA-N 1 2 232.247 0.271 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666725310 487865062 /nfs/dbraw/zinc/86/50/62/487865062.db2.gz GDIVURACMLRBPU-ZCFIWIBFSA-N 1 2 232.247 0.271 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943269 487950498 /nfs/dbraw/zinc/95/04/98/487950498.db2.gz GJQGEKOCGVEJTP-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943269 487950503 /nfs/dbraw/zinc/95/05/03/487950503.db2.gz GJQGEKOCGVEJTP-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000669952279 487957347 /nfs/dbraw/zinc/95/73/47/487957347.db2.gz QUBVMFHJALTDBD-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000669952279 487957351 /nfs/dbraw/zinc/95/73/51/487957351.db2.gz QUBVMFHJALTDBD-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO COCn1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000668603125 487995924 /nfs/dbraw/zinc/99/59/24/487995924.db2.gz CBPDKTONBHPQBN-UHFFFAOYSA-N 1 2 235.247 0.140 20 0 BCADLO Cn1ncnc1CNCc1cn2ccccc2[nH+]1 ZINC000389327486 488088548 /nfs/dbraw/zinc/08/85/48/488088548.db2.gz MNQJGUFXOGKLQF-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884243 488147296 /nfs/dbraw/zinc/14/72/96/488147296.db2.gz NGMDNSNTLLVWBD-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884243 488147299 /nfs/dbraw/zinc/14/72/99/488147299.db2.gz NGMDNSNTLLVWBD-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cocn1 ZINC000677921506 488157449 /nfs/dbraw/zinc/15/74/49/488157449.db2.gz BASTXCUHIBOZHN-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cocn1 ZINC000677921506 488157452 /nfs/dbraw/zinc/15/74/52/488157452.db2.gz BASTXCUHIBOZHN-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO COc1cc(C)[nH+]c(Cn2cc(CO)nn2)c1 ZINC000214288776 488165404 /nfs/dbraw/zinc/16/54/04/488165404.db2.gz WNXLFJIBQPKYJZ-UHFFFAOYSA-N 1 2 234.259 0.531 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccc(OC)nc2)nn1 ZINC000404513214 488166044 /nfs/dbraw/zinc/16/60/44/488166044.db2.gz SKGWGZDKMRUFGT-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CCCn1cc(C(=O)N2CC[NH+](C)CC2)nn1 ZINC000677999306 488171530 /nfs/dbraw/zinc/17/15/30/488171530.db2.gz WFIQTYMYAMZXLY-UHFFFAOYSA-N 1 2 237.307 0.076 20 0 BCADLO CC(C)(C(N)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683484447 488173381 /nfs/dbraw/zinc/17/33/81/488173381.db2.gz PISKRPDBLLTMFR-UHFFFAOYSA-N 1 2 246.270 0.784 20 0 BCADLO OCC(F)(F)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667995993 488179322 /nfs/dbraw/zinc/17/93/22/488179322.db2.gz AKQIEOMYXLBTJB-IUCAKERBSA-N 1 2 221.247 0.771 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1csnn1)C(N)=O ZINC000380222809 488180567 /nfs/dbraw/zinc/18/05/67/488180567.db2.gz JQHLDHXRGUSZGU-SSDOTTSWSA-N 1 2 228.321 0.528 20 0 BCADLO CC[C@@](C)(CO)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373012 488182361 /nfs/dbraw/zinc/18/23/61/488182361.db2.gz CXEKHNHTDPCQEW-LBPRGKRZSA-N 1 2 237.303 0.703 20 0 BCADLO CCc1cc(N[C@@H](C)CC(=O)NC)nc[nH+]1 ZINC000322876996 488197179 /nfs/dbraw/zinc/19/71/79/488197179.db2.gz SQKWQRHMMBRHBK-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C12CCC2 ZINC000308424605 488203265 /nfs/dbraw/zinc/20/32/65/488203265.db2.gz QZEUNHIOTZGSCB-YUMQZZPRSA-N 1 2 238.291 0.145 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C12CCC2 ZINC000308424602 488203418 /nfs/dbraw/zinc/20/34/18/488203418.db2.gz QZEUNHIOTZGSCB-HTQZYQBOSA-N 1 2 238.291 0.145 20 0 BCADLO NC(=O)C[N@H+](Cc1cc[nH]n1)C1CCCC1 ZINC000678136433 488204348 /nfs/dbraw/zinc/20/43/48/488204348.db2.gz NJFPQMSEGPPUIR-UHFFFAOYSA-N 1 2 222.292 0.640 20 0 BCADLO NC(=O)C[N@@H+](Cc1cc[nH]n1)C1CCCC1 ZINC000678136433 488204351 /nfs/dbraw/zinc/20/43/51/488204351.db2.gz NJFPQMSEGPPUIR-UHFFFAOYSA-N 1 2 222.292 0.640 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1c[nH]nc1C ZINC000678138829 488205110 /nfs/dbraw/zinc/20/51/10/488205110.db2.gz BDSLVPSINKMILM-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1c[nH]nc1C ZINC000678138829 488205115 /nfs/dbraw/zinc/20/51/15/488205115.db2.gz BDSLVPSINKMILM-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ccnn1C ZINC000678139442 488205466 /nfs/dbraw/zinc/20/54/66/488205466.db2.gz RBOWSYNGDJEFQZ-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccnn1C ZINC000678139442 488205468 /nfs/dbraw/zinc/20/54/68/488205468.db2.gz RBOWSYNGDJEFQZ-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CCCN(CC(N)=O)Cc1c[nH+]c2n1CCC2 ZINC000668188305 488217873 /nfs/dbraw/zinc/21/78/73/488217873.db2.gz DFXPEYDIYILQMO-UHFFFAOYSA-N 1 2 236.319 0.527 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)C(=O)N(C)C)o1 ZINC000231651204 488219287 /nfs/dbraw/zinc/21/92/87/488219287.db2.gz MBCLRLZFTXENQS-MRVPVSSYSA-N 1 2 211.265 0.549 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)n1cccn1 ZINC000668194038 488219915 /nfs/dbraw/zinc/21/99/15/488219915.db2.gz YDNLRHIXLHEVHZ-UHFFFAOYSA-N 1 2 247.302 0.668 20 0 BCADLO Nc1cc(CN2CCN(C3CC3)C(=O)C2)cc[nH+]1 ZINC000683782393 488220267 /nfs/dbraw/zinc/22/02/67/488220267.db2.gz OWTZCKYMMKAATI-UHFFFAOYSA-N 1 2 246.314 0.470 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000678266795 488230606 /nfs/dbraw/zinc/23/06/06/488230606.db2.gz KYBKWVSHPUWDHL-BDAKNGLRSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000678266795 488230609 /nfs/dbraw/zinc/23/06/09/488230609.db2.gz KYBKWVSHPUWDHL-BDAKNGLRSA-N 1 2 245.348 0.663 20 0 BCADLO CN1CC[N@H+](Cc2cn[nH]c2)C(C)(C)C1=O ZINC000678277874 488233906 /nfs/dbraw/zinc/23/39/06/488233906.db2.gz PSTCUKFJYUUAKF-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CN1CC[N@@H+](Cc2cn[nH]c2)C(C)(C)C1=O ZINC000678277874 488233907 /nfs/dbraw/zinc/23/39/07/488233907.db2.gz PSTCUKFJYUUAKF-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CO[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672148210 488241144 /nfs/dbraw/zinc/24/11/44/488241144.db2.gz HQOKGUSUXAHOSW-JQWIXIFHSA-N 1 2 249.314 0.739 20 0 BCADLO CC(C)(O)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157802 488242853 /nfs/dbraw/zinc/24/28/53/488242853.db2.gz WLGPNAFIXSTIJM-SECBINFHSA-N 1 2 237.303 0.475 20 0 BCADLO C[N@H+](Cc1[nH]nc2ccccc21)[C@H]1CCNC1=O ZINC000678341906 488243340 /nfs/dbraw/zinc/24/33/40/488243340.db2.gz ILWZDTZCBWEOCN-LBPRGKRZSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1[nH]nc2ccccc21)[C@H]1CCNC1=O ZINC000678341906 488243343 /nfs/dbraw/zinc/24/33/43/488243343.db2.gz ILWZDTZCBWEOCN-LBPRGKRZSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@H+](Cc1n[nH]c2ccccc21)[C@H]1CCNC1=O ZINC000678341906 488243345 /nfs/dbraw/zinc/24/33/45/488243345.db2.gz ILWZDTZCBWEOCN-LBPRGKRZSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1n[nH]c2ccccc21)[C@H]1CCNC1=O ZINC000678341906 488243347 /nfs/dbraw/zinc/24/33/47/488243347.db2.gz ILWZDTZCBWEOCN-LBPRGKRZSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000678346114 488244114 /nfs/dbraw/zinc/24/41/14/488244114.db2.gz OSRBFWAXNWNYSI-JTQLQIEISA-N 1 2 239.319 0.939 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(N)=O)nc1 ZINC000678537095 488264727 /nfs/dbraw/zinc/26/47/27/488264727.db2.gz CNIHWYGTMHBYIG-VIFPVBQESA-N 1 2 207.277 0.696 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(N)=O)nc1 ZINC000678537095 488264728 /nfs/dbraw/zinc/26/47/28/488264728.db2.gz CNIHWYGTMHBYIG-VIFPVBQESA-N 1 2 207.277 0.696 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(N)=O)nc1 ZINC000678537094 488264767 /nfs/dbraw/zinc/26/47/67/488264767.db2.gz CNIHWYGTMHBYIG-SECBINFHSA-N 1 2 207.277 0.696 20 0 BCADLO Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)[nH]n1 ZINC000672895202 488268375 /nfs/dbraw/zinc/26/83/75/488268375.db2.gz XWNRUOZRYZTOKI-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000672895202 488268378 /nfs/dbraw/zinc/26/83/78/488268378.db2.gz XWNRUOZRYZTOKI-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO C[C@@H]1OCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000673009313 488271649 /nfs/dbraw/zinc/27/16/49/488271649.db2.gz WMZQAVOAOQUMKA-UWVGGRQHSA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@](CO)([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000678716282 488277872 /nfs/dbraw/zinc/27/78/72/488277872.db2.gz DBWYMUXHJSYZBC-LBPRGKRZSA-N 1 2 248.286 0.508 20 0 BCADLO CC(C)[NH2+][C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000678717520 488278613 /nfs/dbraw/zinc/27/86/13/488278613.db2.gz XXDIKBANBQRANZ-SECBINFHSA-N 1 2 239.323 0.473 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CN(CC(F)F)CCN1C ZINC000684218170 488278831 /nfs/dbraw/zinc/27/88/31/488278831.db2.gz VPXLHHBVSUQFBY-SECBINFHSA-N 1 2 244.289 0.974 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1=CCCOC1 ZINC000673364919 488282103 /nfs/dbraw/zinc/28/21/03/488282103.db2.gz KMHKEDCYTCCMHC-UHFFFAOYSA-N 1 2 235.287 0.736 20 0 BCADLO Cc1cc(N2CC[C@@H](CC(N)=O)C2)nc[nH+]1 ZINC000673493045 488290512 /nfs/dbraw/zinc/29/05/12/488290512.db2.gz ZZBPTFYBFHSLBR-VIFPVBQESA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N(C)CCNC(=O)N(C)C)cc[nH+]1 ZINC000678943328 488297476 /nfs/dbraw/zinc/29/74/76/488297476.db2.gz PVZZQKWLHXYSJT-UHFFFAOYSA-N 1 2 237.307 0.492 20 0 BCADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)O ZINC000673687591 488304021 /nfs/dbraw/zinc/30/40/21/488304021.db2.gz QCFSXKPMFPMHBP-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@H]2COC)n1 ZINC000679133331 488312055 /nfs/dbraw/zinc/31/20/55/488312055.db2.gz HTGHZROXVJSWBU-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@H]2COC)n1 ZINC000679133331 488312057 /nfs/dbraw/zinc/31/20/57/488312057.db2.gz HTGHZROXVJSWBU-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO Cc1cc(CNC(=O)CCc2c[nH+]cn2C)[nH]n1 ZINC000684442768 488313299 /nfs/dbraw/zinc/31/32/99/488313299.db2.gz QEKSRNKECGUZMC-UHFFFAOYSA-N 1 2 247.302 0.701 20 0 BCADLO Cc1cc(CNC(=O)CCc2c[nH+]cn2C)n[nH]1 ZINC000684442768 488313301 /nfs/dbraw/zinc/31/33/01/488313301.db2.gz QEKSRNKECGUZMC-UHFFFAOYSA-N 1 2 247.302 0.701 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N(CCCO)C1CC1 ZINC000684470323 488318058 /nfs/dbraw/zinc/31/80/58/488318058.db2.gz TWXWHDYGWARMPM-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N(CCCO)C1CC1 ZINC000684470323 488318060 /nfs/dbraw/zinc/31/80/60/488318060.db2.gz TWXWHDYGWARMPM-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@](O)(CO)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000684538917 488326838 /nfs/dbraw/zinc/32/68/38/488326838.db2.gz OPRKVLPGGAVLKW-GFCCVEGCSA-N 1 2 235.287 0.396 20 0 BCADLO Cc1nccc(C[N@H+](C)CC(=O)N2CCCC2)n1 ZINC000684615696 488332213 /nfs/dbraw/zinc/33/22/13/488332213.db2.gz BESGKYZXWMOUJF-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1nccc(C[N@@H+](C)CC(=O)N2CCCC2)n1 ZINC000684615696 488332214 /nfs/dbraw/zinc/33/22/14/488332214.db2.gz BESGKYZXWMOUJF-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000679352622 488343591 /nfs/dbraw/zinc/34/35/91/488343591.db2.gz KJDWOOVLRSOKQO-ZETCQYMHSA-N 1 2 247.306 0.890 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1F ZINC000679359910 488345855 /nfs/dbraw/zinc/34/58/55/488345855.db2.gz RYEYHSLSOWZFCN-SCZZXKLOSA-N 1 2 212.272 0.995 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1F ZINC000679359910 488345858 /nfs/dbraw/zinc/34/58/58/488345858.db2.gz RYEYHSLSOWZFCN-SCZZXKLOSA-N 1 2 212.272 0.995 20 0 BCADLO CN(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000684829161 488347169 /nfs/dbraw/zinc/34/71/69/488347169.db2.gz FCCVCDRHXATPIU-VIFPVBQESA-N 1 2 210.281 0.111 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000679367528 488347431 /nfs/dbraw/zinc/34/74/31/488347431.db2.gz LLZXLUTTYJFZMO-SECBINFHSA-N 1 2 240.307 0.109 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000679367528 488347434 /nfs/dbraw/zinc/34/74/34/488347434.db2.gz LLZXLUTTYJFZMO-SECBINFHSA-N 1 2 240.307 0.109 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2ccsc2)nc1=O ZINC000679367585 488347467 /nfs/dbraw/zinc/34/74/67/488347467.db2.gz PCYNNYZUBVFSEX-UHFFFAOYSA-N 1 2 238.316 0.802 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2ccsc2)nc1=O ZINC000679367585 488347469 /nfs/dbraw/zinc/34/74/69/488347469.db2.gz PCYNNYZUBVFSEX-UHFFFAOYSA-N 1 2 238.316 0.802 20 0 BCADLO CC(C)COC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000684836760 488347913 /nfs/dbraw/zinc/34/79/13/488347913.db2.gz VBDHFWAUNUPCOE-LLVKDONJSA-N 1 2 241.335 0.875 20 0 BCADLO CC(C)COC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000684836760 488347914 /nfs/dbraw/zinc/34/79/14/488347914.db2.gz VBDHFWAUNUPCOE-LLVKDONJSA-N 1 2 241.335 0.875 20 0 BCADLO Cn1c[nH+]c(CN2CCCC[C@H]2C(N)=O)c1 ZINC000684836358 488347950 /nfs/dbraw/zinc/34/79/50/488347950.db2.gz VKTRGEITGPUQDK-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000684836358 488347951 /nfs/dbraw/zinc/34/79/51/488347951.db2.gz VKTRGEITGPUQDK-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cnc(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000684836358 488347953 /nfs/dbraw/zinc/34/79/53/488347953.db2.gz VKTRGEITGPUQDK-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1nncc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684907559 488352041 /nfs/dbraw/zinc/35/20/41/488352041.db2.gz KZGSTGFXKUWAHM-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1c[nH]ccc1=O ZINC000073305106 490052520 /nfs/dbraw/zinc/05/25/20/490052520.db2.gz DTHLHBNWPMFZCM-UHFFFAOYSA-N 1 2 218.216 0.210 20 0 BCADLO Cc1nc(C[NH2+]C2(C(N)=O)CC2)sc1C ZINC000183812136 490088801 /nfs/dbraw/zinc/08/88/01/490088801.db2.gz HUPBMNSIUYLCDV-UHFFFAOYSA-N 1 2 225.317 0.867 20 0 BCADLO Cc1nc(NC[C@H]2CCCN(C(N)=O)C2)cc[nH+]1 ZINC000340909546 490101778 /nfs/dbraw/zinc/10/17/78/490101778.db2.gz IQQZMYFGXSMJMV-SNVBAGLBSA-N 1 2 249.318 0.988 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000683011979 490152950 /nfs/dbraw/zinc/15/29/50/490152950.db2.gz PYBVNNVOTAMLCC-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccnc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000683011979 490152955 /nfs/dbraw/zinc/15/29/55/490152955.db2.gz PYBVNNVOTAMLCC-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1nc(N)c(CNC(=O)CC(C)(C)O)c[nH+]1 ZINC000519538280 490202970 /nfs/dbraw/zinc/20/29/70/490202970.db2.gz UQOOKPSGHRIUEB-UHFFFAOYSA-N 1 2 238.291 0.144 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124771600 490403385 /nfs/dbraw/zinc/40/33/85/490403385.db2.gz OGLVBRIGJMUIHD-BDAKNGLRSA-N 1 2 245.348 0.884 20 0 BCADLO C[C@@H](NCc1ncc[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000124861444 490405994 /nfs/dbraw/zinc/40/59/94/490405994.db2.gz WFCPUAWFXHVWKP-NXEZZACHSA-N 1 2 224.308 0.218 20 0 BCADLO C[C@@H](NCc1ncc[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000124861444 490406000 /nfs/dbraw/zinc/40/60/00/490406000.db2.gz WFCPUAWFXHVWKP-NXEZZACHSA-N 1 2 224.308 0.218 20 0 BCADLO CCc1noc(C[N@H+](C)CCOCCOC)n1 ZINC000079410913 490432543 /nfs/dbraw/zinc/43/25/43/490432543.db2.gz DVLUAICLNMPKSF-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CCc1noc(C[N@@H+](C)CCOCCOC)n1 ZINC000079410913 490432548 /nfs/dbraw/zinc/43/25/48/490432548.db2.gz DVLUAICLNMPKSF-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000079410419 490432203 /nfs/dbraw/zinc/43/22/03/490432203.db2.gz SVOJBHYAAGQGFL-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000079771194 490462274 /nfs/dbraw/zinc/46/22/74/490462274.db2.gz FTHSOWGTJMWYHX-VIFPVBQESA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079771194 490462277 /nfs/dbraw/zinc/46/22/77/490462277.db2.gz FTHSOWGTJMWYHX-VIFPVBQESA-N 1 2 210.281 0.018 20 0 BCADLO CC[NH+]1CCN(C(=O)c2nccs2)CC1 ZINC000074717036 490499453 /nfs/dbraw/zinc/49/94/53/490499453.db2.gz DZRSXWWKPURNNH-UHFFFAOYSA-N 1 2 225.317 0.921 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCn1ccnn1 ZINC000136282963 491055320 /nfs/dbraw/zinc/05/53/20/491055320.db2.gz JJKHQFUESGCMCA-UHFFFAOYSA-N 1 2 244.262 0.067 20 0 BCADLO COC(=O)C[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182667865 491056733 /nfs/dbraw/zinc/05/67/33/491056733.db2.gz SPKWXHSWISKBLQ-AAEUAGOBSA-N 1 2 235.283 0.750 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182667865 491056734 /nfs/dbraw/zinc/05/67/34/491056734.db2.gz SPKWXHSWISKBLQ-AAEUAGOBSA-N 1 2 235.283 0.750 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(CCC(C)C)nn1 ZINC000594649458 491077085 /nfs/dbraw/zinc/07/70/85/491077085.db2.gz OXBWWFREAUXPKY-JTQLQIEISA-N 1 2 240.307 0.367 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653864226 491083101 /nfs/dbraw/zinc/08/31/01/491083101.db2.gz RROXSZQJOJIXFR-YFKTTZPYSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653864226 491083102 /nfs/dbraw/zinc/08/31/02/491083102.db2.gz RROXSZQJOJIXFR-YFKTTZPYSA-N 1 2 238.331 0.622 20 0 BCADLO O=C(CC[NH2+]Cc1ccn[nH]1)Nc1cccnc1 ZINC000564722901 491090796 /nfs/dbraw/zinc/09/07/96/491090796.db2.gz XEVNHBCJQIIWRE-UHFFFAOYSA-N 1 2 245.286 0.923 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCO[C@H]1CC1(F)F ZINC000660556523 491094014 /nfs/dbraw/zinc/09/40/14/491094014.db2.gz KKARQTKLEOTSTJ-QMMMGPOBSA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000660556523 491094015 /nfs/dbraw/zinc/09/40/15/491094015.db2.gz KKARQTKLEOTSTJ-QMMMGPOBSA-N 1 2 246.261 0.671 20 0 BCADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cncnc1 ZINC000120644480 491100027 /nfs/dbraw/zinc/10/00/27/491100027.db2.gz YGFGEWAITZJTEK-UHFFFAOYSA-N 1 2 236.319 0.823 20 0 BCADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cncnc1 ZINC000120644480 491100028 /nfs/dbraw/zinc/10/00/28/491100028.db2.gz YGFGEWAITZJTEK-UHFFFAOYSA-N 1 2 236.319 0.823 20 0 BCADLO CCc1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000671727515 491108587 /nfs/dbraw/zinc/10/85/87/491108587.db2.gz KJNFVXOGONAGKC-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000671727515 491108588 /nfs/dbraw/zinc/10/85/88/491108588.db2.gz KJNFVXOGONAGKC-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO Cc1nc(NCC(=O)NCc2ccco2)cc[nH+]1 ZINC000360219288 491108615 /nfs/dbraw/zinc/10/86/15/491108615.db2.gz TVPWLCJKJNDXMM-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BCADLO Cc1nc(NCCCCS(C)(=O)=O)cc[nH+]1 ZINC000425265811 491108638 /nfs/dbraw/zinc/10/86/38/491108638.db2.gz XIQQHKUFZWDFJM-UHFFFAOYSA-N 1 2 243.332 1.022 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000284121030 491112362 /nfs/dbraw/zinc/11/23/62/491112362.db2.gz UXCWTPIZJHMGJY-NBYFHADBSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000284121028 491112407 /nfs/dbraw/zinc/11/24/07/491112407.db2.gz UXCWTPIZJHMGJY-MDCNRGEUSA-N 1 2 235.287 0.964 20 0 BCADLO CC(C)OCCC(=O)NCCn1cc[nH+]c1 ZINC000078425912 491117075 /nfs/dbraw/zinc/11/70/75/491117075.db2.gz XETPXQBKWMFJQJ-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO O=S(=O)(NCc1[nH]cc[nH+]1)N1CCCCC1 ZINC000070820009 491121470 /nfs/dbraw/zinc/12/14/70/491121470.db2.gz DTESLZMAEMFRQJ-UHFFFAOYSA-N 1 2 244.320 0.230 20 0 BCADLO CN1CCN(Cc2c[nH+]c3n2CCC3)CCC1=O ZINC000668623377 491128991 /nfs/dbraw/zinc/12/89/91/491128991.db2.gz WXCMKARAUIRJFA-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO CN1CC[N@H+](Cc2cnc3n2CCC3)CCC1=O ZINC000668623377 491128992 /nfs/dbraw/zinc/12/89/92/491128992.db2.gz WXCMKARAUIRJFA-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO CN1CC[N@@H+](Cc2cnc3n2CCC3)CCC1=O ZINC000668623377 491128993 /nfs/dbraw/zinc/12/89/93/491128993.db2.gz WXCMKARAUIRJFA-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1nccn1C ZINC000081901978 491136985 /nfs/dbraw/zinc/13/69/85/491136985.db2.gz KUHZYNSKTZLOQH-BDAKNGLRSA-N 1 2 245.348 0.504 20 0 BCADLO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1nccn1C ZINC000081901980 491137016 /nfs/dbraw/zinc/13/70/16/491137016.db2.gz KUHZYNSKTZLOQH-RKDXNWHRSA-N 1 2 245.348 0.504 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+][C@@H](C)C(F)F ZINC000308636150 491137478 /nfs/dbraw/zinc/13/74/78/491137478.db2.gz CKSKAFLTYWYDDQ-RQJHMYQMSA-N 1 2 204.224 0.910 20 0 BCADLO CCc1cc(NC[C@@H](C)S(N)(=O)=O)nc[nH+]1 ZINC000309653237 491153794 /nfs/dbraw/zinc/15/37/94/491153794.db2.gz OWVPGOSAFIHHJK-SSDOTTSWSA-N 1 2 244.320 0.128 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@H](O)C1CC1 ZINC000890718422 582514966 /nfs/dbraw/zinc/51/49/66/582514966.db2.gz RQWMJMIKWJZOAB-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NC/C=C/Cl ZINC000891198734 582626148 /nfs/dbraw/zinc/62/61/48/582626148.db2.gz MAZDHMOTPOWNQD-HSFFGMMNSA-N 1 2 244.722 0.744 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CO1 ZINC000493764058 533906579 /nfs/dbraw/zinc/90/65/79/533906579.db2.gz ZRDJPILCQIZGQG-ALCGYSGWSA-N 1 2 221.260 0.717 20 0 BCADLO COC(=O)N1CC(Nc2nc(C)[nH+]cc2C)C1 ZINC000496963182 533935198 /nfs/dbraw/zinc/93/51/98/533935198.db2.gz OXZMHMWRBCXVQV-UHFFFAOYSA-N 1 2 236.275 0.956 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493780511 533987592 /nfs/dbraw/zinc/98/75/92/533987592.db2.gz CBMXHPGHMWUGDV-SXAXMNFYSA-N 1 2 221.260 0.405 20 0 BCADLO COC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000493733058 534004872 /nfs/dbraw/zinc/00/48/72/534004872.db2.gz LFSSLEWQPPJVLG-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO C[C@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812112 534056689 /nfs/dbraw/zinc/05/66/89/534056689.db2.gz LXKOFUVTALTMOM-WBSSQXGSSA-N 1 2 223.276 0.700 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2CC[C@H](C)O2)CC1=O ZINC000336071141 535710762 /nfs/dbraw/zinc/71/07/62/535710762.db2.gz BPWNNUYACITMIW-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)CC1=O ZINC000336071141 535710766 /nfs/dbraw/zinc/71/07/66/535710766.db2.gz BPWNNUYACITMIW-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC(=O)NCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891486406 582692212 /nfs/dbraw/zinc/69/22/12/582692212.db2.gz IPDIIZDTKYVMFY-MRVPVSSYSA-N 1 2 223.276 0.683 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000348635797 535862122 /nfs/dbraw/zinc/86/21/22/535862122.db2.gz OPOFHZXNHKBLOY-MNOVXSKESA-N 1 2 225.292 0.095 20 0 BCADLO C[S@](=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493357872 534192742 /nfs/dbraw/zinc/19/27/42/534192742.db2.gz SSJFDQVPXCPPKY-CWDCEQMOSA-N 1 2 241.316 0.308 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)O[C@H]1CNOC1 ZINC000848057651 582746792 /nfs/dbraw/zinc/74/67/92/582746792.db2.gz YKGJXSPEMXZWLE-CBAPKCEASA-N 1 2 225.248 0.035 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)O[C@H]1CNOC1 ZINC000848057651 582746794 /nfs/dbraw/zinc/74/67/94/582746794.db2.gz YKGJXSPEMXZWLE-CBAPKCEASA-N 1 2 225.248 0.035 20 0 BCADLO C[C@@H](Cn1cncn1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069057 534272769 /nfs/dbraw/zinc/27/27/69/534272769.db2.gz FPCKOFDKYSTHCL-HPOULIHZSA-N 1 2 246.274 0.219 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1O ZINC000492889681 534274721 /nfs/dbraw/zinc/27/47/21/534274721.db2.gz BBICYNLCHUJNRE-GZWSGWKISA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H](O)CN(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892003677 582758709 /nfs/dbraw/zinc/75/87/09/582758709.db2.gz CQGRJRIDOUBHPB-LURJTMIESA-N 1 2 223.280 0.148 20 0 BCADLO C[C@H](O)CN(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892003677 582758710 /nfs/dbraw/zinc/75/87/10/582758710.db2.gz CQGRJRIDOUBHPB-LURJTMIESA-N 1 2 223.280 0.148 20 0 BCADLO Cc1nnc(CCNC(=O)C=Cc2[nH]cc[nH+]2)[nH]1 ZINC000493713212 534329204 /nfs/dbraw/zinc/32/92/04/534329204.db2.gz XQQYWCFZRRFOPX-NSCUHMNNSA-N 1 2 246.274 0.208 20 0 BCADLO C[C@H](C(=O)Nc1cnn(C)c1)[NH+]1CC(C)C1 ZINC000552967320 518181655 /nfs/dbraw/zinc/18/16/55/518181655.db2.gz MGWPFHHYDDVOQC-SECBINFHSA-N 1 2 222.292 0.699 20 0 BCADLO Cc1noc([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492866128 534438867 /nfs/dbraw/zinc/43/88/67/534438867.db2.gz PTINVLOXCWWGLF-KGGZQZJCSA-N 1 2 247.258 0.992 20 0 BCADLO Cc1noc([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492866129 534469912 /nfs/dbraw/zinc/46/99/12/534469912.db2.gz PTINVLOXCWWGLF-SDLBARTOSA-N 1 2 247.258 0.992 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000493428354 534786524 /nfs/dbraw/zinc/78/65/24/534786524.db2.gz GUPRWGLRFIAWPR-SRLPBZNGSA-N 1 2 227.214 0.941 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(CO)CC1 ZINC000493148658 534786900 /nfs/dbraw/zinc/78/69/00/534786900.db2.gz HSYNZXQWCPMLSA-OWOJBTEDSA-N 1 2 207.233 0.064 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](O)C1 ZINC000493342866 534787548 /nfs/dbraw/zinc/78/75/48/534787548.db2.gz ZPIIQZRXKMZQNL-FHKCNRDCSA-N 1 2 207.233 0.016 20 0 BCADLO CC(=O)N1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342801578 534796061 /nfs/dbraw/zinc/79/60/61/534796061.db2.gz YCORVGGOMOXCSI-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC1CC1 ZINC000492900890 534802174 /nfs/dbraw/zinc/80/21/74/534802174.db2.gz PUUAEXGRRXFREE-ARJAWSKDSA-N 1 2 207.233 0.881 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000492856044 534804745 /nfs/dbraw/zinc/80/47/45/534804745.db2.gz BHDWBBAJOCSHKS-OBOPVNRVSA-N 1 2 235.287 0.843 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3cncnc3)CCN12 ZINC000494556350 534819596 /nfs/dbraw/zinc/81/95/96/534819596.db2.gz VFSKPILOSAXXLA-SNVBAGLBSA-N 1 2 234.259 0.113 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3cncnc3)CCN12 ZINC000494556350 534819603 /nfs/dbraw/zinc/81/96/03/534819603.db2.gz VFSKPILOSAXXLA-SNVBAGLBSA-N 1 2 234.259 0.113 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492899422 526326906 /nfs/dbraw/zinc/32/69/06/526326906.db2.gz MIPWPFNXKSFBET-UYHYEADPSA-N 1 2 235.287 0.866 20 0 BCADLO CC(=O)CSCC(=O)NCCn1cc[nH+]c1 ZINC000494313143 526442531 /nfs/dbraw/zinc/44/25/31/526442531.db2.gz OOHFCFRORZLSRC-UHFFFAOYSA-N 1 2 241.316 0.322 20 0 BCADLO CC(C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C(N)=O ZINC000493496210 527091716 /nfs/dbraw/zinc/09/17/16/527091716.db2.gz OOHXPCPVESSNLR-ONEGZZNKSA-N 1 2 236.275 0.051 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000493456027 527602748 /nfs/dbraw/zinc/60/27/48/527602748.db2.gz DIWMYUJYTBISSW-UXVFWXEMSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000493456027 527602752 /nfs/dbraw/zinc/60/27/52/527602752.db2.gz DIWMYUJYTBISSW-UXVFWXEMSA-N 1 2 238.331 0.956 20 0 BCADLO CCN1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493693425 527934680 /nfs/dbraw/zinc/93/46/80/527934680.db2.gz RGHSAVSEFAQWRS-FSIBCCDJSA-N 1 2 248.286 0.160 20 0 BCADLO CCCN(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493455943 527940024 /nfs/dbraw/zinc/94/00/24/527940024.db2.gz IGFXKPNNMWZSLW-ONEGZZNKSA-N 1 2 236.275 0.147 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493264460 527942190 /nfs/dbraw/zinc/94/21/90/527942190.db2.gz RJRADMGTYNBOQW-RXNFCKPNSA-N 1 2 237.303 0.946 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC(C)C ZINC000493883570 527955089 /nfs/dbraw/zinc/95/50/89/527955089.db2.gz PUHWQRIQLCLFIG-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC(C)C ZINC000493883570 527955095 /nfs/dbraw/zinc/95/50/95/527955095.db2.gz PUHWQRIQLCLFIG-QWRGUYRKSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000496802812 527955462 /nfs/dbraw/zinc/95/54/62/527955462.db2.gz JVOKCXJJMIZAEW-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000496802812 527955464 /nfs/dbraw/zinc/95/54/64/527955464.db2.gz JVOKCXJJMIZAEW-DTWKUNHWSA-N 1 2 244.291 0.320 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493280160 528339350 /nfs/dbraw/zinc/33/93/50/528339350.db2.gz AFIJTWVOBOVXKX-FSIBCCDJSA-N 1 2 237.303 0.946 20 0 BCADLO CCN(CCCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493356555 528460113 /nfs/dbraw/zinc/46/01/13/528460113.db2.gz STDZVHAMYLRFOX-SNAWJCMRSA-N 1 2 223.276 0.654 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594971 528473460 /nfs/dbraw/zinc/47/34/60/528473460.db2.gz SAOSZTURGWASGN-CDAZIORVSA-N 1 2 223.276 0.556 20 0 BCADLO CCO/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000493823851 528508267 /nfs/dbraw/zinc/50/82/67/528508267.db2.gz OGBAARXRPUQURV-UTCJRWHESA-N 1 2 221.260 0.817 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493280161 528542943 /nfs/dbraw/zinc/54/29/43/528542943.db2.gz AFIJTWVOBOVXKX-HMDXOVGESA-N 1 2 237.303 0.946 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496670844 528810637 /nfs/dbraw/zinc/81/06/37/528810637.db2.gz DEXOBJXOYKJRAP-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496670844 528810633 /nfs/dbraw/zinc/81/06/33/528810633.db2.gz DEXOBJXOYKJRAP-VIFPVBQESA-N 1 2 244.291 0.322 20 0 BCADLO CC1(C)C(=O)NCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493654142 528864307 /nfs/dbraw/zinc/86/43/07/528864307.db2.gz HIDWMEDUUJQQRY-ONEGZZNKSA-N 1 2 248.286 0.160 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492766611 528867150 /nfs/dbraw/zinc/86/71/50/528867150.db2.gz NBYJQPQCJDEKEI-ARJAWSKDSA-N 1 2 236.275 0.145 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC000493743157 528907915 /nfs/dbraw/zinc/90/79/15/528907915.db2.gz VFZGHYBBBUQACQ-HMDXOVGESA-N 1 2 248.286 0.160 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493449277 528982269 /nfs/dbraw/zinc/98/22/69/528982269.db2.gz JYJUGJPJEKIYPF-FSIBCCDJSA-N 1 2 237.303 0.946 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493163789 529133989 /nfs/dbraw/zinc/13/39/89/529133989.db2.gz VXIMYORLDXJIAS-CDAZIORVSA-N 1 2 235.287 0.964 20 0 BCADLO CCN1CC[N@H+](CCCC(=O)OC)[C@@H](C)C1=O ZINC000495203996 529141962 /nfs/dbraw/zinc/14/19/62/529141962.db2.gz RDEVKPBSXPVNCX-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCN1CC[N@@H+](CCCC(=O)OC)[C@@H](C)C1=O ZINC000495203996 529141965 /nfs/dbraw/zinc/14/19/65/529141965.db2.gz RDEVKPBSXPVNCX-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1O ZINC000400096697 529298636 /nfs/dbraw/zinc/29/86/36/529298636.db2.gz XQXZDPCYZUJEDA-DTWKUNHWSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1O ZINC000400096697 529298637 /nfs/dbraw/zinc/29/86/37/529298637.db2.gz XQXZDPCYZUJEDA-DTWKUNHWSA-N 1 2 210.281 0.316 20 0 BCADLO CC[C@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871323 529328447 /nfs/dbraw/zinc/32/84/47/529328447.db2.gz XIZHMMCVTZJDGE-ZBJFTSOASA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H](CCO)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493720029 529328580 /nfs/dbraw/zinc/32/85/80/529328580.db2.gz PRKSQBIPBGUYLR-ZBJFTSOASA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493330595 529337663 /nfs/dbraw/zinc/33/76/63/529337663.db2.gz FOEOLDVBVXFCIU-UMCURTJPSA-N 1 2 223.276 0.964 20 0 BCADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1O ZINC000493687774 529346768 /nfs/dbraw/zinc/34/67/68/529346768.db2.gz OZMFHLAGPPSJKM-HIHHVFROSA-N 1 2 235.287 0.652 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H]1CN(C)C(=O)O1)C(=O)OC ZINC000496728651 529371025 /nfs/dbraw/zinc/37/10/25/529371025.db2.gz VZLDSQVGFBPCJR-KCJUWKMLSA-N 1 2 244.291 0.368 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171971473 534923275 /nfs/dbraw/zinc/92/32/75/534923275.db2.gz RAKNBLTYSPQKTD-WDEREUQCSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171971473 534923279 /nfs/dbraw/zinc/92/32/79/534923279.db2.gz RAKNBLTYSPQKTD-WDEREUQCSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335941002 534967349 /nfs/dbraw/zinc/96/73/49/534967349.db2.gz MKTNCYLUEJBJLW-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335941002 534967353 /nfs/dbraw/zinc/96/73/53/534967353.db2.gz MKTNCYLUEJBJLW-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335941003 534968182 /nfs/dbraw/zinc/96/81/82/534968182.db2.gz MKTNCYLUEJBJLW-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335941003 534968192 /nfs/dbraw/zinc/96/81/92/534968192.db2.gz MKTNCYLUEJBJLW-NWDGAFQWSA-N 1 2 241.379 0.878 20 0 BCADLO CCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000070657026 535187372 /nfs/dbraw/zinc/18/73/72/535187372.db2.gz OIXZCJGIKSSDGB-JTQLQIEISA-N 1 2 203.282 0.954 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000175021618 535228212 /nfs/dbraw/zinc/22/82/12/535228212.db2.gz FRKONULVMKEAGJ-WDEREUQCSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000175021618 535228213 /nfs/dbraw/zinc/22/82/13/535228213.db2.gz FRKONULVMKEAGJ-WDEREUQCSA-N 1 2 226.320 0.716 20 0 BCADLO CCC[N@H+](CCO)Cc1noc(CCOC)n1 ZINC000351379517 535336131 /nfs/dbraw/zinc/33/61/31/535336131.db2.gz COXHLDFMMGTLES-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCC[N@@H+](CCO)Cc1noc(CCOC)n1 ZINC000351379517 535336136 /nfs/dbraw/zinc/33/61/36/535336136.db2.gz COXHLDFMMGTLES-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CC[N@H+](Cc1noc(C)n1)CC(C)(C)O ZINC000078747535 535396967 /nfs/dbraw/zinc/39/69/67/535396967.db2.gz CJPSBIVABCAJCB-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO CC[N@@H+](Cc1noc(C)n1)CC(C)(C)O ZINC000078747535 535396970 /nfs/dbraw/zinc/39/69/70/535396970.db2.gz CJPSBIVABCAJCB-UHFFFAOYSA-N 1 2 213.281 0.971 20 0 BCADLO CC[N@@H+](Cc1oncc1C(=O)OC)C[C@@H](C)O ZINC000352222702 535400184 /nfs/dbraw/zinc/40/01/84/535400184.db2.gz SECFODZJADPHTN-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CC[N@H+](Cc1oncc1C(=O)OC)C[C@@H](C)O ZINC000352222702 535400187 /nfs/dbraw/zinc/40/01/87/535400187.db2.gz SECFODZJADPHTN-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000335909269 535405153 /nfs/dbraw/zinc/40/51/53/535405153.db2.gz QBHJRWCCYGFDGZ-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO CCOCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352647 535417179 /nfs/dbraw/zinc/41/71/79/535417179.db2.gz OYADVULUEAMKNK-UHFFFAOYSA-N 1 2 233.271 0.987 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178727064 535461718 /nfs/dbraw/zinc/46/17/18/535461718.db2.gz MAXYTBUNQLSUED-MNOVXSKESA-N 1 2 225.336 0.149 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000348734209 535544614 /nfs/dbraw/zinc/54/46/14/535544614.db2.gz HFOSTSQBDNISPR-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO CCOCCC[NH2+][C@H](CC)C(=O)OC ZINC000168234913 535551646 /nfs/dbraw/zinc/55/16/46/535551646.db2.gz FVOCPZLQWZOETE-SECBINFHSA-N 1 2 203.282 0.954 20 0 BCADLO CCOCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000348819058 535603002 /nfs/dbraw/zinc/60/30/02/535603002.db2.gz VTTDHRCRCSGBIV-UHFFFAOYSA-N 1 2 200.282 0.187 20 0 BCADLO CCOCC[N@H+]1CCN(CC)C(=O)C1 ZINC000348819058 535603005 /nfs/dbraw/zinc/60/30/05/535603005.db2.gz VTTDHRCRCSGBIV-UHFFFAOYSA-N 1 2 200.282 0.187 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185895747 535673127 /nfs/dbraw/zinc/67/31/27/535673127.db2.gz CEPNWZUBKFIQFR-NSHDSACASA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185895747 535673130 /nfs/dbraw/zinc/67/31/30/535673130.db2.gz CEPNWZUBKFIQFR-NSHDSACASA-N 1 2 228.292 0.279 20 0 BCADLO CC[C@@H](C)[C@@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000351515471 535693816 /nfs/dbraw/zinc/69/38/16/535693816.db2.gz SUTQCBUBQSTGNJ-GHMZBOCLSA-N 1 2 228.336 0.822 20 0 BCADLO CCC[C@H]1C(=O)NCCN1c1cc(C)[nH+]cn1 ZINC000301903577 535724243 /nfs/dbraw/zinc/72/42/43/535724243.db2.gz XKDYMDGFGZQYEG-JTQLQIEISA-N 1 2 234.303 0.890 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000348635797 535862118 /nfs/dbraw/zinc/86/21/18/535862118.db2.gz OPOFHZXNHKBLOY-MNOVXSKESA-N 1 2 225.292 0.095 20 0 BCADLO C[N@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347708762 536392080 /nfs/dbraw/zinc/39/20/80/536392080.db2.gz SHJNIMUQQRIFCK-UHFFFAOYSA-N 1 2 205.208 0.702 20 0 BCADLO C[N@@H+](CCO)Cc1ccn(C(F)F)n1 ZINC000347708762 536392083 /nfs/dbraw/zinc/39/20/83/536392083.db2.gz SHJNIMUQQRIFCK-UHFFFAOYSA-N 1 2 205.208 0.702 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N(CC(F)F)C2CC2)C1 ZINC000172789966 536432357 /nfs/dbraw/zinc/43/23/57/536432357.db2.gz ZGINXNSZCFJQND-SECBINFHSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N(CC(F)F)C2CC2)C1 ZINC000172789966 536432361 /nfs/dbraw/zinc/43/23/61/536432361.db2.gz ZGINXNSZCFJQND-SECBINFHSA-N 1 2 248.273 0.573 20 0 BCADLO COCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249632 536581261 /nfs/dbraw/zinc/58/12/61/536581261.db2.gz UKZHTJRMEYQDEI-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO COC1(C)C[NH+](Cc2cn(C)nc2C)C1 ZINC000336084540 536588445 /nfs/dbraw/zinc/58/84/45/536588445.db2.gz NQOUVLJMKHZQKS-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@@H](CNc1cc(C)[nH+]cn1)OC ZINC000227702046 536629696 /nfs/dbraw/zinc/62/96/96/536629696.db2.gz XWMZOIKJMVNIPD-SECBINFHSA-N 1 2 211.265 0.858 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000348252548 536630011 /nfs/dbraw/zinc/63/00/11/536630011.db2.gz ZQIJRGOMIUVCRD-HOSYDEDBSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000348252548 536630018 /nfs/dbraw/zinc/63/00/18/536630018.db2.gz ZQIJRGOMIUVCRD-HOSYDEDBSA-N 1 2 243.303 0.428 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnnn2C)[C@H](C)C1 ZINC000408426981 536752584 /nfs/dbraw/zinc/75/25/84/536752584.db2.gz YDRLMOIWDOHPDO-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnnn2C)[C@H](C)C1 ZINC000408426981 536752587 /nfs/dbraw/zinc/75/25/87/536752587.db2.gz YDRLMOIWDOHPDO-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1C ZINC000342741878 536768200 /nfs/dbraw/zinc/76/82/00/536768200.db2.gz YMSHXXQJGVXIHB-SFYZADRCSA-N 1 2 226.280 0.367 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1C ZINC000342741878 536768202 /nfs/dbraw/zinc/76/82/02/536768202.db2.gz YMSHXXQJGVXIHB-SFYZADRCSA-N 1 2 226.280 0.367 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000351730722 536841560 /nfs/dbraw/zinc/84/15/60/536841560.db2.gz RDFMBPHSQGGSGC-YUMQZZPRSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000351730722 536841563 /nfs/dbraw/zinc/84/15/63/536841563.db2.gz RDFMBPHSQGGSGC-YUMQZZPRSA-N 1 2 240.259 0.416 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cn[nH]c1 ZINC000225644776 582947913 /nfs/dbraw/zinc/94/79/13/582947913.db2.gz PEAXCCYIROMLHQ-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CCc1cc(N(CCO)CCO)nc(CC)[nH+]1 ZINC000892686654 582955005 /nfs/dbraw/zinc/95/50/05/582955005.db2.gz ABWSVJRDHNTTOX-UHFFFAOYSA-N 1 2 239.319 0.392 20 0 BCADLO CCc1cc(NCC[C@H](O)COC)nc[nH+]1 ZINC000231563541 566313693 /nfs/dbraw/zinc/31/36/93/566313693.db2.gz VAZMQQYDQYCHOZ-JTQLQIEISA-N 1 2 225.292 0.848 20 0 BCADLO Cn1cnc(C[N@H+](C)C(C)(C)C(N)=O)c1 ZINC000660646480 566371990 /nfs/dbraw/zinc/37/19/90/566371990.db2.gz CFFUMJXJUOUVQK-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO Cn1cnc(C[N@@H+](C)C(C)(C)C(N)=O)c1 ZINC000660646480 566371995 /nfs/dbraw/zinc/37/19/95/566371995.db2.gz CFFUMJXJUOUVQK-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)C(C)(C)C(N)=O ZINC000660646480 566371997 /nfs/dbraw/zinc/37/19/97/566371997.db2.gz CFFUMJXJUOUVQK-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nnc(C2CC2)s1 ZINC000893318516 583099404 /nfs/dbraw/zinc/09/94/04/583099404.db2.gz AWXLNOOZOWSKLV-UHFFFAOYSA-N 1 2 240.332 0.641 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1nccn1C ZINC000223746133 583181147 /nfs/dbraw/zinc/18/11/47/583181147.db2.gz LMEPPQMYPMYTMZ-VIFPVBQESA-N 1 2 245.348 0.505 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000840978812 583214854 /nfs/dbraw/zinc/21/48/54/583214854.db2.gz PMUMIKRZUPXRLZ-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000840978812 583214856 /nfs/dbraw/zinc/21/48/56/583214856.db2.gz PMUMIKRZUPXRLZ-MWLCHTKSSA-N 1 2 211.261 0.861 20 0 BCADLO CCc1cc(N(C)CCC(N)=O)nc(CC)[nH+]1 ZINC000893842568 583231101 /nfs/dbraw/zinc/23/11/01/583231101.db2.gz MRHADPHUVIDHPD-UHFFFAOYSA-N 1 2 236.319 0.913 20 0 BCADLO Cc1[nH]nc(CN2CC[NH+](C)CC2)c1C ZINC000893864982 583234935 /nfs/dbraw/zinc/23/49/35/583234935.db2.gz OPBZOPQBKLGZGC-UHFFFAOYSA-N 1 2 208.309 0.774 20 0 BCADLO CNc1cc(N2CC[C@@](O)(C(F)F)C2)nc[nH+]1 ZINC000894047561 583287991 /nfs/dbraw/zinc/28/79/91/583287991.db2.gz CZXQTVFAIXZAGH-JTQLQIEISA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC[C@@](O)(C(F)F)C2)[nH+]cn1 ZINC000894047561 583287993 /nfs/dbraw/zinc/28/79/93/583287993.db2.gz CZXQTVFAIXZAGH-JTQLQIEISA-N 1 2 244.245 0.725 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000853081126 588718915 /nfs/dbraw/zinc/71/89/15/588718915.db2.gz HIHCVBNOETYZJP-MRVPVSSYSA-N 1 2 209.249 0.950 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000853081126 588718916 /nfs/dbraw/zinc/71/89/16/588718916.db2.gz HIHCVBNOETYZJP-MRVPVSSYSA-N 1 2 209.249 0.950 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1cnc(F)cn1 ZINC000853161992 588723197 /nfs/dbraw/zinc/72/31/97/588723197.db2.gz JFJFQMBOCSHJHB-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1cnc(F)cn1 ZINC000853270747 588730289 /nfs/dbraw/zinc/73/02/89/588730289.db2.gz KMWPNZICCCZTMJ-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1cnc(F)cn1 ZINC000853270747 588730290 /nfs/dbraw/zinc/73/02/90/588730290.db2.gz KMWPNZICCCZTMJ-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO COCC[NH2+]Cc1nc(C[C@@H]2CCCO2)no1 ZINC000111347578 588744280 /nfs/dbraw/zinc/74/42/80/588744280.db2.gz QYLRLKNAGUIMFP-VIFPVBQESA-N 1 2 241.291 0.527 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H]2C2CC2)c(=O)o1 ZINC000853495253 588745746 /nfs/dbraw/zinc/74/57/46/588745746.db2.gz PYDNUCBCQBOKAR-JTQLQIEISA-N 1 2 223.276 0.977 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c(=O)o1 ZINC000853495253 588745747 /nfs/dbraw/zinc/74/57/47/588745747.db2.gz PYDNUCBCQBOKAR-JTQLQIEISA-N 1 2 223.276 0.977 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cn1nc(C)oc1=O)CC2 ZINC000853507405 588746839 /nfs/dbraw/zinc/74/68/39/588746839.db2.gz YKBIYGWIVQEBLH-UHFFFAOYSA-N 1 2 249.274 0.123 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@](C)(O)CC2)c(=O)o1 ZINC000853510148 588746867 /nfs/dbraw/zinc/74/68/67/588746867.db2.gz HWRQIQBNAWPUMW-LLVKDONJSA-N 1 2 241.291 0.339 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@](C)(O)CC2)c(=O)o1 ZINC000853510148 588746868 /nfs/dbraw/zinc/74/68/68/588746868.db2.gz HWRQIQBNAWPUMW-LLVKDONJSA-N 1 2 241.291 0.339 20 0 BCADLO COC[C@]1(C)CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853515972 588747160 /nfs/dbraw/zinc/74/71/60/588747160.db2.gz HCXTVOJRTUZZDE-LLVKDONJSA-N 1 2 241.291 0.461 20 0 BCADLO COC[C@]1(C)CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853515972 588747161 /nfs/dbraw/zinc/74/71/61/588747161.db2.gz HCXTVOJRTUZZDE-LLVKDONJSA-N 1 2 241.291 0.461 20 0 BCADLO CS[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853516674 588747211 /nfs/dbraw/zinc/74/72/11/588747211.db2.gz NOVYLUMEDHWNMI-MRVPVSSYSA-N 1 2 229.305 0.540 20 0 BCADLO CS[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853516674 588747212 /nfs/dbraw/zinc/74/72/12/588747212.db2.gz NOVYLUMEDHWNMI-MRVPVSSYSA-N 1 2 229.305 0.540 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](Cn2cnnc2)CCO1 ZINC000853529456 588747899 /nfs/dbraw/zinc/74/78/99/588747899.db2.gz WUKDNNHPNWEJOU-LLVKDONJSA-N 1 2 222.292 0.737 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](Cn2cnnc2)CCO1 ZINC000853529456 588747900 /nfs/dbraw/zinc/74/79/00/588747900.db2.gz WUKDNNHPNWEJOU-LLVKDONJSA-N 1 2 222.292 0.737 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+](C)C[C@@H]2COCCO2)C1 ZINC000853556962 588748940 /nfs/dbraw/zinc/74/89/40/588748940.db2.gz GHQWXIDKZAJSSH-GHMZBOCLSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2COCCO2)C1 ZINC000853556962 588748941 /nfs/dbraw/zinc/74/89/41/588748941.db2.gz GHQWXIDKZAJSSH-GHMZBOCLSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@](C)(C(F)F)O1 ZINC000853630247 588751188 /nfs/dbraw/zinc/75/11/88/588751188.db2.gz FHSAWPFJEYPKSB-PSASIEDQSA-N 1 2 246.261 0.980 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@](C)(C(F)F)O1 ZINC000853630247 588751189 /nfs/dbraw/zinc/75/11/89/588751189.db2.gz FHSAWPFJEYPKSB-PSASIEDQSA-N 1 2 246.261 0.980 20 0 BCADLO COC[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853497783 588746427 /nfs/dbraw/zinc/74/64/27/588746427.db2.gz GHPOXEKNZJSPIZ-VIFPVBQESA-N 1 2 227.264 0.071 20 0 BCADLO COC[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853497783 588746428 /nfs/dbraw/zinc/74/64/28/588746428.db2.gz GHPOXEKNZJSPIZ-VIFPVBQESA-N 1 2 227.264 0.071 20 0 BCADLO CCN1CC[C@@H](O[NH+]=C(N)[C@H](C)OC)C1=O ZINC000853673991 588754540 /nfs/dbraw/zinc/75/45/40/588754540.db2.gz OFLPLPSHWCKJPG-JGVFFNPUSA-N 1 2 229.280 0.141 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCC1(O)CCC1 ZINC000853674150 588754767 /nfs/dbraw/zinc/75/47/67/588754767.db2.gz SRVVMSAJIJKFTA-QMMMGPOBSA-N 1 2 216.281 0.825 20 0 BCADLO Cc1cc(N2CC3(C2)CN(C)C(=O)O3)nc[nH+]1 ZINC000853696511 588757539 /nfs/dbraw/zinc/75/75/39/588757539.db2.gz HHAFQIGVWXMEQI-UHFFFAOYSA-N 1 2 234.259 0.426 20 0 BCADLO COC(=O)N(C)CCN(C)c1cc(C)[nH+]cn1 ZINC000853865579 588766668 /nfs/dbraw/zinc/76/66/68/588766668.db2.gz GTXAKGQNKULJRR-UHFFFAOYSA-N 1 2 238.291 0.919 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)CC[N@@H+]1C ZINC000111740193 588769459 /nfs/dbraw/zinc/76/94/59/588769459.db2.gz RMCTWZQLIUYNPA-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO C[C@@H]1CN(C(=O)c2cncc(O)c2)CC[N@H+]1C ZINC000111740193 588769460 /nfs/dbraw/zinc/76/94/60/588769460.db2.gz RMCTWZQLIUYNPA-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NN1CCCC1 ZINC000854326264 588783903 /nfs/dbraw/zinc/78/39/03/588783903.db2.gz IDRYTJVAYIJNCX-UHFFFAOYSA-N 1 2 208.265 0.388 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NN1CCCC1 ZINC000854326264 588783904 /nfs/dbraw/zinc/78/39/04/588783904.db2.gz IDRYTJVAYIJNCX-UHFFFAOYSA-N 1 2 208.265 0.388 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353252 588784956 /nfs/dbraw/zinc/78/49/56/588784956.db2.gz UOCWYVRYNFLKMO-NDZKXSSTSA-N 1 2 237.347 0.459 20 0 BCADLO C/C=C(\C)C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353252 588784957 /nfs/dbraw/zinc/78/49/57/588784957.db2.gz UOCWYVRYNFLKMO-NDZKXSSTSA-N 1 2 237.347 0.459 20 0 BCADLO Cc1nnc(NC(=O)Cc2[nH]cc[nH+]2)n1C1CC1 ZINC000854396980 588785922 /nfs/dbraw/zinc/78/59/22/588785922.db2.gz KHHZCBRLHADFEH-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000854498723 588789467 /nfs/dbraw/zinc/78/94/67/588789467.db2.gz KZHFWRKWMSCHHS-VIFPVBQESA-N 1 2 222.248 0.201 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854527955 588790456 /nfs/dbraw/zinc/79/04/56/588790456.db2.gz WYVCJBLBSXLLGD-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(C2CC2)C1 ZINC000854571969 588794811 /nfs/dbraw/zinc/79/48/11/588794811.db2.gz LOUXKYFJZKHOJB-UHFFFAOYSA-N 1 2 205.261 0.821 20 0 BCADLO CCOC(=O)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595011 588796184 /nfs/dbraw/zinc/79/61/84/588796184.db2.gz ULFFFTQNOUJHSQ-SSDOTTSWSA-N 1 2 225.248 0.540 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594174 588796230 /nfs/dbraw/zinc/79/62/30/588796230.db2.gz GBEOFBBTUHIMBM-SFYZADRCSA-N 1 2 211.265 0.605 20 0 BCADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C)CO ZINC000854663388 588799320 /nfs/dbraw/zinc/79/93/20/588799320.db2.gz GEOLMPVVMUYLCZ-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO CC(F)(F)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854659434 588799829 /nfs/dbraw/zinc/79/98/29/588799829.db2.gz VFEWLHILRVDBCB-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO CO[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854662693 588800004 /nfs/dbraw/zinc/80/00/04/588800004.db2.gz JGSGCODNEDMCFV-SECBINFHSA-N 1 2 223.276 0.493 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(C1CC1)C1COC1 ZINC000854680318 588800950 /nfs/dbraw/zinc/80/09/50/588800950.db2.gz ATAYXYBZXHGOMT-UHFFFAOYSA-N 1 2 221.260 0.342 20 0 BCADLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000112556277 588802634 /nfs/dbraw/zinc/80/26/34/588802634.db2.gz SQTPALRTXIIEHZ-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO CCNC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000112556277 588802635 /nfs/dbraw/zinc/80/26/35/588802635.db2.gz SQTPALRTXIIEHZ-SNVBAGLBSA-N 1 2 242.319 0.350 20 0 BCADLO COC[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854742225 588805051 /nfs/dbraw/zinc/80/50/51/588805051.db2.gz BHQJNKRCQCFQHE-LBPRGKRZSA-N 1 2 237.303 0.837 20 0 BCADLO C[C@@H](CCCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854743811 588805056 /nfs/dbraw/zinc/80/50/56/588805056.db2.gz NKTYPTZSUGABFW-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO CC[C@@H]1[C@H](CO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854746816 588805074 /nfs/dbraw/zinc/80/50/74/588805074.db2.gz HECAQNDDLUZTOX-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO CN(CC(C)(C)CO)C(=O)Cc1[nH]cc[nH+]1 ZINC000854747583 588805304 /nfs/dbraw/zinc/80/53/04/588805304.db2.gz RGQZVBQBMOETRB-UHFFFAOYSA-N 1 2 225.292 0.429 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCOC1 ZINC000854806827 588811469 /nfs/dbraw/zinc/81/14/69/588811469.db2.gz BUEVAHAVMMKAOQ-UHFFFAOYSA-N 1 2 217.228 0.764 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000854822463 588812238 /nfs/dbraw/zinc/81/22/38/588812238.db2.gz QZJXZBVKWBTRBN-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000854841998 588813146 /nfs/dbraw/zinc/81/31/46/588813146.db2.gz REFDGKIHBSUQOR-UHFFFAOYSA-N 1 2 233.275 0.727 20 0 BCADLO C[C@H](C(=O)NOCC[NH+](C)C)c1ccccn1 ZINC000854945038 588817710 /nfs/dbraw/zinc/81/77/10/588817710.db2.gz HKFFLGAEXVNXTG-JTQLQIEISA-N 1 2 237.303 0.795 20 0 BCADLO Cc1ccc(C(=O)NOCC[NH+](C)C)c(=O)[nH]1 ZINC000854947286 588818180 /nfs/dbraw/zinc/81/81/80/588818180.db2.gz OHYOLHBMYKKPRE-UHFFFAOYSA-N 1 2 239.275 0.319 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854962025 588818945 /nfs/dbraw/zinc/81/89/45/588818945.db2.gz RORSQSLIKFPLAV-BDAKNGLRSA-N 1 2 223.276 0.324 20 0 BCADLO CCO/C=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135076 588822667 /nfs/dbraw/zinc/82/26/67/588822667.db2.gz CUFQMSUGKZKOKJ-SNAWJCMRSA-N 1 2 209.249 0.918 20 0 BCADLO CCO/C=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135076 588822668 /nfs/dbraw/zinc/82/26/68/588822668.db2.gz CUFQMSUGKZKOKJ-SNAWJCMRSA-N 1 2 209.249 0.918 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@](C)(O)C1CCC1 ZINC000855136034 588823393 /nfs/dbraw/zinc/82/33/93/588823393.db2.gz LPQLVONCFBPFFG-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@](C)(O)C1CCC1 ZINC000855136034 588823394 /nfs/dbraw/zinc/82/33/94/588823394.db2.gz LPQLVONCFBPFFG-LBPRGKRZSA-N 1 2 237.303 0.919 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(O)CCC1 ZINC000855135929 588823459 /nfs/dbraw/zinc/82/34/59/588823459.db2.gz ZJOORWHBUSTGDS-UHFFFAOYSA-N 1 2 223.276 0.673 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(O)CCC1 ZINC000855135929 588823460 /nfs/dbraw/zinc/82/34/60/588823460.db2.gz ZJOORWHBUSTGDS-UHFFFAOYSA-N 1 2 223.276 0.673 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CO1 ZINC000855174723 588825191 /nfs/dbraw/zinc/82/51/91/588825191.db2.gz XAAXNVMMWSDSLI-QMMMGPOBSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000113237668 588827337 /nfs/dbraw/zinc/82/73/37/588827337.db2.gz ACDXEEBKUPMZNY-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000113237668 588827338 /nfs/dbraw/zinc/82/73/38/588827338.db2.gz ACDXEEBKUPMZNY-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113237663 588827557 /nfs/dbraw/zinc/82/75/57/588827557.db2.gz QVQQMXBXECPGRP-AOOOYVTPSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113237663 588827558 /nfs/dbraw/zinc/82/75/58/588827558.db2.gz QVQQMXBXECPGRP-AOOOYVTPSA-N 1 2 212.293 0.676 20 0 BCADLO Cc1n[nH]c(C[N@@H+](C)[C@@H]2CCNC2=O)c1C ZINC000894094763 582457430 /nfs/dbraw/zinc/45/74/30/582457430.db2.gz MYMSBDHMOPWGML-SNVBAGLBSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C[N@H+](C)[C@@H]2CCNC2=O)c1C ZINC000894094763 582457433 /nfs/dbraw/zinc/45/74/33/582457433.db2.gz MYMSBDHMOPWGML-SNVBAGLBSA-N 1 2 222.292 0.347 20 0 BCADLO C[C@@H]1COCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866843421 582457548 /nfs/dbraw/zinc/45/75/48/582457548.db2.gz GWZLZIIVWYGVJF-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+](C)CCn2cccn2)C1 ZINC000113245431 588828241 /nfs/dbraw/zinc/82/82/41/588828241.db2.gz QOLLFALJNGEMLI-NSHDSACASA-N 1 2 236.319 0.641 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+](C)CCn2cccn2)C1 ZINC000113245431 588828242 /nfs/dbraw/zinc/82/82/42/588828242.db2.gz QOLLFALJNGEMLI-NSHDSACASA-N 1 2 236.319 0.641 20 0 BCADLO CO[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000300042597 582483463 /nfs/dbraw/zinc/48/34/63/582483463.db2.gz QNZFXZPPOVOFHW-SNVBAGLBSA-N 1 2 208.261 0.799 20 0 BCADLO COC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855413220 588831723 /nfs/dbraw/zinc/83/17/23/588831723.db2.gz IKBIFUBDAUNQCV-IUCAKERBSA-N 1 2 216.281 0.452 20 0 BCADLO COC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855413220 588831724 /nfs/dbraw/zinc/83/17/24/588831724.db2.gz IKBIFUBDAUNQCV-IUCAKERBSA-N 1 2 216.281 0.452 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCC[C@H](O)C2CC2)c1 ZINC000890710523 582511389 /nfs/dbraw/zinc/51/13/89/582511389.db2.gz MPJFCMWDZKJRFX-ITKZLYELSA-N 1 2 249.314 0.711 20 0 BCADLO CC(C)(C(=O)N[C@H]1C=CCC1)[NH+]1CCOCC1 ZINC000855432909 588835733 /nfs/dbraw/zinc/83/57/33/588835733.db2.gz NLJPCDWYQNTXPH-NSHDSACASA-N 1 2 238.331 0.932 20 0 BCADLO COCCN(CCF)C(=O)Cc1c[nH+]cn1C ZINC000855592514 588840933 /nfs/dbraw/zinc/84/09/33/588840933.db2.gz IPYMAAKGZKMNDR-UHFFFAOYSA-N 1 2 243.282 0.407 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccnc(N)c1 ZINC000052725040 582652746 /nfs/dbraw/zinc/65/27/46/582652746.db2.gz PBPCUIVQIBHMMT-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccnc(N)c1 ZINC000052725040 582652752 /nfs/dbraw/zinc/65/27/52/582652752.db2.gz PBPCUIVQIBHMMT-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO COCCN(CCF)C(=O)Cc1[nH]cc[nH+]1 ZINC000855595850 588841135 /nfs/dbraw/zinc/84/11/35/588841135.db2.gz KRIFDOLBDBGDLY-UHFFFAOYSA-N 1 2 229.255 0.397 20 0 BCADLO CN(CCO)c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000891399105 582677578 /nfs/dbraw/zinc/67/75/78/582677578.db2.gz IEYUKHILYGVWGX-UHFFFAOYSA-N 1 2 225.296 0.180 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1COC2(CCC2)C1 ZINC000855654823 588843716 /nfs/dbraw/zinc/84/37/16/588843716.db2.gz CBBWYDJGHZZMIZ-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COC2(CCC2)C1 ZINC000855658995 588843885 /nfs/dbraw/zinc/84/38/85/588843885.db2.gz GUKJCALVDRTYNT-JTQLQIEISA-N 1 2 249.314 0.790 20 0 BCADLO CC[C@@H](CO)Nc1cc(N[C@H](C)CO)[nH+]cn1 ZINC000891684714 582709713 /nfs/dbraw/zinc/70/97/13/582709713.db2.gz OCPBTVZPZFQDOO-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@@H](CO)Nc1cc(N[C@H](C)CO)nc[nH+]1 ZINC000891684714 582709716 /nfs/dbraw/zinc/70/97/16/582709716.db2.gz OCPBTVZPZFQDOO-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CCOCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000891779141 582719593 /nfs/dbraw/zinc/71/95/93/582719593.db2.gz FMDDYPFETUQSFB-UHFFFAOYSA-N 1 2 226.280 0.256 20 0 BCADLO CCn1cnnc1CNc1cc(N(C)C)nc[nH+]1 ZINC000891849821 582729744 /nfs/dbraw/zinc/72/97/44/582729744.db2.gz JUKJQMFSQSBNHR-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CCn1cnnc1CNc1cc(N(C)C)[nH+]cn1 ZINC000891849821 582729747 /nfs/dbraw/zinc/72/97/47/582729747.db2.gz JUKJQMFSQSBNHR-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000855833049 588849614 /nfs/dbraw/zinc/84/96/14/588849614.db2.gz GESBLCAGXVZUKX-JOYOIKCWSA-N 1 2 235.287 0.447 20 0 BCADLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC000118185476 582757443 /nfs/dbraw/zinc/75/74/43/582757443.db2.gz XZYXIWRAMFFBFZ-SECBINFHSA-N 1 2 230.308 0.530 20 0 BCADLO C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC000118185476 582757444 /nfs/dbraw/zinc/75/74/44/582757444.db2.gz XZYXIWRAMFFBFZ-SECBINFHSA-N 1 2 230.308 0.530 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cc[nH]c(=O)c1)C2 ZINC000892055893 582777755 /nfs/dbraw/zinc/77/77/55/582777755.db2.gz NAHIRAMEGFFDAC-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cc[nH]c(=O)c1)C2 ZINC000892055893 582777757 /nfs/dbraw/zinc/77/77/57/582777757.db2.gz NAHIRAMEGFFDAC-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO Cc1cnc(Cl)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000892065903 582782880 /nfs/dbraw/zinc/78/28/80/582782880.db2.gz QPSWDSDNDCJWAN-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO Cc1cnc(Cl)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000892065903 582782881 /nfs/dbraw/zinc/78/28/81/582782881.db2.gz QPSWDSDNDCJWAN-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO C[N@H+](Cc1ccnn1C1CCC1)[C@@H]1CCNC1=O ZINC000892239574 582811241 /nfs/dbraw/zinc/81/12/41/582811241.db2.gz AAPDOXFLWOIAMM-GFCCVEGCSA-N 1 2 248.330 0.928 20 0 BCADLO C[N@@H+](Cc1ccnn1C1CCC1)[C@@H]1CCNC1=O ZINC000892239574 582811243 /nfs/dbraw/zinc/81/12/43/582811243.db2.gz AAPDOXFLWOIAMM-GFCCVEGCSA-N 1 2 248.330 0.928 20 0 BCADLO CNC(=O)CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892302159 582832417 /nfs/dbraw/zinc/83/24/17/582832417.db2.gz HKHSNNLFVDMDMW-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO CNC(=O)CCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892302159 582832420 /nfs/dbraw/zinc/83/24/20/582832420.db2.gz HKHSNNLFVDMDMW-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000889336824 582848634 /nfs/dbraw/zinc/84/86/34/582848634.db2.gz IQPJVKYNUMDRBI-GHMZBOCLSA-N 1 2 237.303 0.598 20 0 BCADLO CNc1cc(N(C)CCN2CCCC2=O)nc[nH+]1 ZINC000892506943 582901098 /nfs/dbraw/zinc/90/10/98/582901098.db2.gz PJJLDQXRYZOWNU-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CNc1cc(N(C)CCN2CCCC2=O)[nH+]cn1 ZINC000892506943 582901099 /nfs/dbraw/zinc/90/10/99/582901099.db2.gz PJJLDQXRYZOWNU-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO Cc1nc(N(C)Cc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000892558663 582913758 /nfs/dbraw/zinc/91/37/58/582913758.db2.gz AFKNDQKFDXLONK-UHFFFAOYSA-N 1 2 219.248 0.850 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@H]1CCN(C)C1=O ZINC000892615525 582930302 /nfs/dbraw/zinc/93/03/02/582930302.db2.gz SMVCXJFFKAFMKI-VIFPVBQESA-N 1 2 245.286 0.396 20 0 BCADLO COC[C@@H](CCO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892631100 582934129 /nfs/dbraw/zinc/93/41/29/582934129.db2.gz GRDOREMOYPPHDS-NXEZZACHSA-N 1 2 240.303 0.944 20 0 BCADLO CC(C)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892641756 582936671 /nfs/dbraw/zinc/93/66/71/582936671.db2.gz FQKYBFQXHXKGJG-SECBINFHSA-N 1 2 224.308 0.971 20 0 BCADLO CC(C)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892641756 582936673 /nfs/dbraw/zinc/93/66/73/582936673.db2.gz FQKYBFQXHXKGJG-SECBINFHSA-N 1 2 224.308 0.971 20 0 BCADLO Nc1nc(N[C@@H](CCO)C2CC2)nc(C2CC2)[nH+]1 ZINC000892656906 582941689 /nfs/dbraw/zinc/94/16/89/582941689.db2.gz HTPKHPLJXMJXQV-VIFPVBQESA-N 1 2 249.318 0.904 20 0 BCADLO Nc1nc(N[C@@H](CCO)C2CC2)[nH+]c(C2CC2)n1 ZINC000892656906 582941691 /nfs/dbraw/zinc/94/16/91/582941691.db2.gz HTPKHPLJXMJXQV-VIFPVBQESA-N 1 2 249.318 0.904 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@]1(C)CO ZINC000856247897 588865326 /nfs/dbraw/zinc/86/53/26/588865326.db2.gz HKOMDTYCHFBYJL-BXKDBHETSA-N 1 2 237.303 0.429 20 0 BCADLO CN(C)c1cc(N(CCO)CC2CC2)nc[nH+]1 ZINC000892687430 582956039 /nfs/dbraw/zinc/95/60/39/582956039.db2.gz OXRRSRPILVNICL-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO CN(C)c1cc(N(CCO)CC2CC2)[nH+]cn1 ZINC000892687430 582956041 /nfs/dbraw/zinc/95/60/41/582956041.db2.gz OXRRSRPILVNICL-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO C[C@H](NC(=O)c1ncccn1)c1[nH+]ccn1C ZINC000856277733 588866491 /nfs/dbraw/zinc/86/64/91/588866491.db2.gz PNZPAAHXBZHGKP-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO Cc1nonc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856278011 588866716 /nfs/dbraw/zinc/86/67/16/588866716.db2.gz VQIDRZWDOBUSMB-ZETCQYMHSA-N 1 2 235.247 0.603 20 0 BCADLO Cc1nonc1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279468 588866774 /nfs/dbraw/zinc/86/67/74/588866774.db2.gz GERCTFSBUJNBII-MRVPVSSYSA-N 1 2 249.274 0.531 20 0 BCADLO C[C@H](NC(=O)c1cnn(C)n1)c1[nH+]ccn1C ZINC000856281137 588866885 /nfs/dbraw/zinc/86/68/85/588866885.db2.gz MAGOQZFFLOITDQ-ZETCQYMHSA-N 1 2 234.263 0.040 20 0 BCADLO C[C@H](NC(=O)CC1OCCO1)c1[nH+]ccn1C ZINC000856281147 588866937 /nfs/dbraw/zinc/86/69/37/588866937.db2.gz MCHAZEWIZKGXOD-QMMMGPOBSA-N 1 2 239.275 0.360 20 0 BCADLO COC/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281366 588867020 /nfs/dbraw/zinc/86/70/20/588867020.db2.gz NRPMGTYLXVCANY-WBSSQXGSSA-N 1 2 223.276 0.800 20 0 BCADLO Cn1c[nH+]cc1COC(=O)COC1CC1 ZINC000892777943 582981225 /nfs/dbraw/zinc/98/12/25/582981225.db2.gz KTNBLVHVMXDCBV-UHFFFAOYSA-N 1 2 210.233 0.642 20 0 BCADLO CN(C)c1cc(N[C@H]2CCCN(C)C2=O)[nH+]cn1 ZINC000892801917 582986208 /nfs/dbraw/zinc/98/62/08/582986208.db2.gz QVTDPCWTDFASLH-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CN(C)c1cc(N[C@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000892801917 582986212 /nfs/dbraw/zinc/98/62/12/582986212.db2.gz QVTDPCWTDFASLH-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1nccn2c[nH+]cc12 ZINC000892822589 582989172 /nfs/dbraw/zinc/98/91/72/582989172.db2.gz IRDUEWYEVDPEKF-MRVPVSSYSA-N 1 2 231.259 0.054 20 0 BCADLO CC[C@H]1C(=O)NCCN1c1nccn2c[nH+]cc12 ZINC000892826121 582990181 /nfs/dbraw/zinc/99/01/81/582990181.db2.gz AVGHJDVAEAQXLY-VIFPVBQESA-N 1 2 245.286 0.444 20 0 BCADLO CCc1cc(N2CCNC(=O)[C@H]2C)nc(CC)[nH+]1 ZINC000892826956 582990865 /nfs/dbraw/zinc/99/08/65/582990865.db2.gz PRYPKTICHYGJCB-SECBINFHSA-N 1 2 248.330 0.926 20 0 BCADLO CN(C[C@H](O)C1CC1)c1nccn2c[nH+]cc12 ZINC000892849965 582996444 /nfs/dbraw/zinc/99/64/44/582996444.db2.gz BEFKDJRPXXQAII-NSHDSACASA-N 1 2 232.287 0.936 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000852361771 583013372 /nfs/dbraw/zinc/01/33/72/583013372.db2.gz FXUUOBXZBACJHX-RKDXNWHRSA-N 1 2 238.291 0.662 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@]2(O)CCOC2)[nH+]1 ZINC000892981732 583024819 /nfs/dbraw/zinc/02/48/19/583024819.db2.gz UDEYDGDUFWMFQD-BXKDBHETSA-N 1 2 238.287 0.698 20 0 BCADLO C[C@H](O)c1cccc(N(C)[C@H]2CCNC2=O)[nH+]1 ZINC000893018836 583030488 /nfs/dbraw/zinc/03/04/88/583030488.db2.gz MUICOYMJMPJAHU-WPRPVWTQSA-N 1 2 235.287 0.460 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCCn2cccn2)c1 ZINC000893020326 583031272 /nfs/dbraw/zinc/03/12/72/583031272.db2.gz VELQCSRCGCWOBV-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO CC[C@@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000893029569 583032417 /nfs/dbraw/zinc/03/24/17/583032417.db2.gz NIQSLJGBQKNNNS-VXNVDRBHSA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@H]1O ZINC000893029569 583032418 /nfs/dbraw/zinc/03/24/18/583032418.db2.gz NIQSLJGBQKNNNS-VXNVDRBHSA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000893029556 583032765 /nfs/dbraw/zinc/03/27/65/583032765.db2.gz NIQSLJGBQKNNNS-APPZFPTMSA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@@H]1O ZINC000893029556 583032768 /nfs/dbraw/zinc/03/27/68/583032768.db2.gz NIQSLJGBQKNNNS-APPZFPTMSA-N 1 2 249.318 0.538 20 0 BCADLO CC[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1O ZINC000893030974 583033017 /nfs/dbraw/zinc/03/30/17/583033017.db2.gz VSLWTPKHMLARKA-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1O ZINC000893030974 583033018 /nfs/dbraw/zinc/03/30/18/583033018.db2.gz VSLWTPKHMLARKA-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893030934 583033187 /nfs/dbraw/zinc/03/31/87/583033187.db2.gz USPHMRWEWJEWCK-KOLCDFICSA-N 1 2 232.287 0.936 20 0 BCADLO CC[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1O ZINC000893030972 583033532 /nfs/dbraw/zinc/03/35/32/583033532.db2.gz VSLWTPKHMLARKA-UWVGGRQHSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1O ZINC000893030972 583033533 /nfs/dbraw/zinc/03/35/33/583033533.db2.gz VSLWTPKHMLARKA-UWVGGRQHSA-N 1 2 236.319 0.750 20 0 BCADLO COC[C@@H](O)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000893050192 583036699 /nfs/dbraw/zinc/03/66/99/583036699.db2.gz IIMOWGOAYQONOR-UWVGGRQHSA-N 1 2 240.303 0.944 20 0 BCADLO COC[C@@H](O)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893050196 583036799 /nfs/dbraw/zinc/03/67/99/583036799.db2.gz IIMOWGOAYQONOR-ZJUUUORDSA-N 1 2 240.303 0.944 20 0 BCADLO COC[C@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000893047453 583037647 /nfs/dbraw/zinc/03/76/47/583037647.db2.gz QVKFUFVXROSWMT-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000893047453 583037648 /nfs/dbraw/zinc/03/76/48/583037648.db2.gz QVKFUFVXROSWMT-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO C[C@]1(O)CCCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000893060376 583039314 /nfs/dbraw/zinc/03/93/14/583039314.db2.gz KIIVIUUQEIAGRF-LBPRGKRZSA-N 1 2 249.318 0.682 20 0 BCADLO C[C@]1(O)CCCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000893060376 583039315 /nfs/dbraw/zinc/03/93/15/583039315.db2.gz KIIVIUUQEIAGRF-LBPRGKRZSA-N 1 2 249.318 0.682 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1O ZINC000893078188 583043439 /nfs/dbraw/zinc/04/34/39/583043439.db2.gz CEIXKGXDWXJJTJ-DTWKUNHWSA-N 1 2 222.292 0.360 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1O ZINC000893078188 583043442 /nfs/dbraw/zinc/04/34/42/583043442.db2.gz CEIXKGXDWXJJTJ-DTWKUNHWSA-N 1 2 222.292 0.360 20 0 BCADLO COC[C@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000893116520 583051838 /nfs/dbraw/zinc/05/18/38/583051838.db2.gz HPESUPGSFHSRFP-VIFPVBQESA-N 1 2 240.307 0.616 20 0 BCADLO COC[C@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000893116520 583051841 /nfs/dbraw/zinc/05/18/41/583051841.db2.gz HPESUPGSFHSRFP-VIFPVBQESA-N 1 2 240.307 0.616 20 0 BCADLO CCO/C=C\C(=O)OCC[NH+]1CCOCC1 ZINC000840584998 583065330 /nfs/dbraw/zinc/06/53/30/583065330.db2.gz NNQPZAXRKSMDFV-CLTKARDFSA-N 1 2 229.276 0.412 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1nccn2c[nH+]cc12 ZINC000893272463 583081883 /nfs/dbraw/zinc/08/18/83/583081883.db2.gz FOYMTEGRIBNOKE-VIFPVBQESA-N 1 2 245.286 0.396 20 0 BCADLO O=C(NC(CF)CF)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854687972 583090044 /nfs/dbraw/zinc/09/00/44/583090044.db2.gz MEFDONQAONUUFY-SSDOTTSWSA-N 1 2 243.257 0.938 20 0 BCADLO O=C(NC(CF)CF)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854687972 583090045 /nfs/dbraw/zinc/09/00/45/583090045.db2.gz MEFDONQAONUUFY-SSDOTTSWSA-N 1 2 243.257 0.938 20 0 BCADLO C[C@H](NCc1cnccn1)[C@@H]1C[N@H+](C)CCO1 ZINC000856773768 588877269 /nfs/dbraw/zinc/87/72/69/588877269.db2.gz TWGYWOADOJAMIW-JQWIXIFHSA-N 1 2 236.319 0.285 20 0 BCADLO CC(C)c1nnc(C[NH2+]CC(=O)N(C)C)s1 ZINC000893345111 583115099 /nfs/dbraw/zinc/11/50/99/583115099.db2.gz SRKRKJLYFKUWLO-UHFFFAOYSA-N 1 2 242.348 0.839 20 0 BCADLO C[C@H](NCc1cnccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000856773768 588877270 /nfs/dbraw/zinc/87/72/70/588877270.db2.gz TWGYWOADOJAMIW-JQWIXIFHSA-N 1 2 236.319 0.285 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1nccn2c[nH+]cc12 ZINC000893379109 583132854 /nfs/dbraw/zinc/13/28/54/583132854.db2.gz HBAUZGKUFDAVHZ-SECBINFHSA-N 1 2 245.286 0.396 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893426015 583141243 /nfs/dbraw/zinc/14/12/43/583141243.db2.gz FJAYKIUWXHHEEX-DTWKUNHWSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893426015 583141245 /nfs/dbraw/zinc/14/12/45/583141245.db2.gz FJAYKIUWXHHEEX-DTWKUNHWSA-N 1 2 222.292 0.502 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC(=O)C2CC2)C[N@@H+]1C ZINC000893562391 583164536 /nfs/dbraw/zinc/16/45/36/583164536.db2.gz MCYYMLXLYJIMBL-CABZTGNLSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@]1(C)C[C@H](OC(=O)C2CC2)C[N@H+]1C ZINC000893562391 583164538 /nfs/dbraw/zinc/16/45/38/583164538.db2.gz MCYYMLXLYJIMBL-CABZTGNLSA-N 1 2 241.287 0.575 20 0 BCADLO C[C@H](O)c1cccc(NC[C@](C)(O)CO)[nH+]1 ZINC000893627043 583176843 /nfs/dbraw/zinc/17/68/43/583176843.db2.gz ZZMHEUFGGNIDKU-KWQFWETISA-N 1 2 226.276 0.290 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@@](C)(O)CO)[nH+]1 ZINC000893627045 583176943 /nfs/dbraw/zinc/17/69/43/583176943.db2.gz ZZMHEUFGGNIDKU-LDYMZIIASA-N 1 2 226.276 0.290 20 0 BCADLO COC(=O)[C@H](C)N(C)c1nccn2c[nH+]cc12 ZINC000893646708 583186017 /nfs/dbraw/zinc/18/60/17/583186017.db2.gz NXKSNXIBABJSDU-QMMMGPOBSA-N 1 2 234.259 0.727 20 0 BCADLO COCC[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893673691 583193371 /nfs/dbraw/zinc/19/33/71/583193371.db2.gz NOXXMVMNIJXCHS-NXEZZACHSA-N 1 2 240.303 0.944 20 0 BCADLO C[C@H](CO)N(C)c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000893740726 583216020 /nfs/dbraw/zinc/21/60/20/583216020.db2.gz WKACVJADFIJRJL-SSDOTTSWSA-N 1 2 239.323 0.568 20 0 BCADLO CN(CCC(N)=O)c1nccn2c[nH+]cc12 ZINC000893842570 583231074 /nfs/dbraw/zinc/23/10/74/583231074.db2.gz MTHSVRSLLZCUQU-UHFFFAOYSA-N 1 2 219.248 0.041 20 0 BCADLO NC(=O)C[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893881899 583240860 /nfs/dbraw/zinc/24/08/60/583240860.db2.gz DZGFVTIPNSHDMW-VIFPVBQESA-N 1 2 245.286 0.431 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000893904925 583242790 /nfs/dbraw/zinc/24/27/90/583242790.db2.gz OPGODYAPOAILNW-SECBINFHSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1ncoc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000893904925 583242793 /nfs/dbraw/zinc/24/27/93/583242793.db2.gz OPGODYAPOAILNW-SECBINFHSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1C ZINC000893906715 583244234 /nfs/dbraw/zinc/24/42/34/583244234.db2.gz YXZUHPXMLZKXPD-NSHDSACASA-N 1 2 236.319 0.866 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCCC[C@H]2C(N)=O)c1C ZINC000893906715 583244236 /nfs/dbraw/zinc/24/42/36/583244236.db2.gz YXZUHPXMLZKXPD-NSHDSACASA-N 1 2 236.319 0.866 20 0 BCADLO CN(C)c1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc[nH+]1 ZINC000893948489 583258837 /nfs/dbraw/zinc/25/88/37/583258837.db2.gz DOISFNXPYFIEOM-MYJAWHEDSA-N 1 2 234.303 0.217 20 0 BCADLO CN(C)c1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]cn1 ZINC000893948489 583258839 /nfs/dbraw/zinc/25/88/39/583258839.db2.gz DOISFNXPYFIEOM-MYJAWHEDSA-N 1 2 234.303 0.217 20 0 BCADLO Nc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000893949319 583259264 /nfs/dbraw/zinc/25/92/64/583259264.db2.gz MVGWFLNXOPVVHZ-BRPSZJMVSA-N 1 2 247.302 0.006 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000893949319 583259266 /nfs/dbraw/zinc/25/92/66/583259266.db2.gz MVGWFLNXOPVVHZ-BRPSZJMVSA-N 1 2 247.302 0.006 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000893995228 583267529 /nfs/dbraw/zinc/26/75/29/583267529.db2.gz IBHFRAYZYBAVFL-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1ncoc1C[N@H+]1CCC2(C1)OCCO2 ZINC000893995228 583267531 /nfs/dbraw/zinc/26/75/31/583267531.db2.gz IBHFRAYZYBAVFL-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1c(C)cc[nH+]c1N ZINC000893999914 583271404 /nfs/dbraw/zinc/27/14/04/583271404.db2.gz UYYLMFWGVOIHHC-LLVKDONJSA-N 1 2 248.330 0.683 20 0 BCADLO COCC[N@H+](Cc1ocnc1C)[C@@H](C)C(N)=O ZINC000894005145 583272771 /nfs/dbraw/zinc/27/27/71/583272771.db2.gz BIXNUBDWMZMIAY-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1ocnc1C)[C@@H](C)C(N)=O ZINC000894005145 583272773 /nfs/dbraw/zinc/27/27/73/583272773.db2.gz BIXNUBDWMZMIAY-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCn2cnnc2C1 ZINC000894012198 583274453 /nfs/dbraw/zinc/27/44/53/583274453.db2.gz DNTPPFXLVVKUEM-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000894085550 583295791 /nfs/dbraw/zinc/29/57/91/583295791.db2.gz PGQAWZVPOTYCFL-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000894085550 583295793 /nfs/dbraw/zinc/29/57/93/583295793.db2.gz PGQAWZVPOTYCFL-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO C[C@@H](O)c1cccc(N2CC(C)(CO)C2)[nH+]1 ZINC000894078310 583297198 /nfs/dbraw/zinc/29/71/98/583297198.db2.gz JFCHTYLYUPUUSG-SECBINFHSA-N 1 2 222.288 0.954 20 0 BCADLO Cc1coc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000894096299 583301044 /nfs/dbraw/zinc/30/10/44/583301044.db2.gz WLBKGDSSGKDLKM-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1coc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000894096299 583301046 /nfs/dbraw/zinc/30/10/46/583301046.db2.gz WLBKGDSSGKDLKM-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@]12CCOC2 ZINC000332877538 583303381 /nfs/dbraw/zinc/30/33/81/583303381.db2.gz AKOROTUOHDSEOO-KOLCDFICSA-N 1 2 221.260 0.453 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@]12CCOC2 ZINC000332877538 583303383 /nfs/dbraw/zinc/30/33/83/583303383.db2.gz AKOROTUOHDSEOO-KOLCDFICSA-N 1 2 221.260 0.453 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@H]2O)nc(CC)[nH+]1 ZINC000894098015 583303448 /nfs/dbraw/zinc/30/34/48/583303448.db2.gz DRZMQGBXSIDBOA-NXEZZACHSA-N 1 2 237.303 0.773 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894168222 583324031 /nfs/dbraw/zinc/32/40/31/583324031.db2.gz QWLQDXRCHUYTHO-MRVPVSSYSA-N 1 2 243.332 0.512 20 0 BCADLO CN(C)c1cc(NC[C@@H]2CNC(=O)C2)[nH+]cn1 ZINC000894184815 583332680 /nfs/dbraw/zinc/33/26/80/583332680.db2.gz HFLAZGDXNOEXQS-MRVPVSSYSA-N 1 2 235.291 0.091 20 0 BCADLO CN(C)c1cc(NC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000894184815 583332683 /nfs/dbraw/zinc/33/26/83/583332683.db2.gz HFLAZGDXNOEXQS-MRVPVSSYSA-N 1 2 235.291 0.091 20 0 BCADLO O=C1C[N@H+](Cc2cnc(C3CC3)nc2)CCCN1 ZINC000877833903 583349512 /nfs/dbraw/zinc/34/95/12/583349512.db2.gz MTHFFKLNPLGKTE-UHFFFAOYSA-N 1 2 246.314 0.676 20 0 BCADLO O=C1C[N@@H+](Cc2cnc(C3CC3)nc2)CCCN1 ZINC000877833903 583349513 /nfs/dbraw/zinc/34/95/13/583349513.db2.gz MTHFFKLNPLGKTE-UHFFFAOYSA-N 1 2 246.314 0.676 20 0 BCADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CN1CCC1=O ZINC000857236040 588900509 /nfs/dbraw/zinc/90/05/09/588900509.db2.gz WYIMHYRRXVFWGC-LLVKDONJSA-N 1 2 248.330 0.919 20 0 BCADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CN1CCC1=O ZINC000857236040 588900511 /nfs/dbraw/zinc/90/05/11/588900511.db2.gz WYIMHYRRXVFWGC-LLVKDONJSA-N 1 2 248.330 0.919 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)C2)s1 ZINC000726789693 583374218 /nfs/dbraw/zinc/37/42/18/583374218.db2.gz BMTUFRQTBUOASA-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)C2)s1 ZINC000726789693 583374221 /nfs/dbraw/zinc/37/42/21/583374221.db2.gz BMTUFRQTBUOASA-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO CCn1cc[nH+]c1CN1CCCNC(=O)C1 ZINC000726790258 583374430 /nfs/dbraw/zinc/37/44/30/583374430.db2.gz RCRGLQZEDXDUAA-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO NC(=O)c1cccc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000726790519 583374538 /nfs/dbraw/zinc/37/45/38/583374538.db2.gz DOPXESHXIZHMEL-UHFFFAOYSA-N 1 2 247.298 0.107 20 0 BCADLO NC(=O)c1cccc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000726790519 583374539 /nfs/dbraw/zinc/37/45/39/583374539.db2.gz DOPXESHXIZHMEL-UHFFFAOYSA-N 1 2 247.298 0.107 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCCNC(=O)C1 ZINC000726791540 583374790 /nfs/dbraw/zinc/37/47/90/583374790.db2.gz RNFULQTUVGKIKQ-LBPRGKRZSA-N 1 2 247.298 0.035 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CCCNC(=O)C1 ZINC000726791540 583374791 /nfs/dbraw/zinc/37/47/91/583374791.db2.gz RNFULQTUVGKIKQ-LBPRGKRZSA-N 1 2 247.298 0.035 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726791029 583374879 /nfs/dbraw/zinc/37/48/79/583374879.db2.gz KVDMWXSMPLNTNM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726791029 583374881 /nfs/dbraw/zinc/37/48/81/583374881.db2.gz KVDMWXSMPLNTNM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NOC(C)(C)CO ZINC000857284425 588902867 /nfs/dbraw/zinc/90/28/67/588902867.db2.gz KWDMSBLAPXOMAQ-UHFFFAOYSA-N 1 2 241.291 0.171 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679450 583392960 /nfs/dbraw/zinc/39/29/60/583392960.db2.gz CWFBTDFYCKPXJQ-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC(=O)N1 ZINC000878679450 583392963 /nfs/dbraw/zinc/39/29/63/583392963.db2.gz CWFBTDFYCKPXJQ-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(CO)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000894256946 583395258 /nfs/dbraw/zinc/39/52/58/583395258.db2.gz LTEXIQDKJVOWAB-SECBINFHSA-N 1 2 209.249 0.039 20 0 BCADLO C[N@H+](CCn1cccn1)CN1CCC1=O ZINC000857232445 588898007 /nfs/dbraw/zinc/89/80/07/588898007.db2.gz CSDPCVVHCIPPMB-UHFFFAOYSA-N 1 2 208.265 0.005 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1CCC1=O ZINC000857232445 588898008 /nfs/dbraw/zinc/89/80/08/588898008.db2.gz CSDPCVVHCIPPMB-UHFFFAOYSA-N 1 2 208.265 0.005 20 0 BCADLO CCc1cc(N2CC(C)(C(N)=O)C2)nc(CC)[nH+]1 ZINC000894341322 583428767 /nfs/dbraw/zinc/42/87/67/583428767.db2.gz AUBOUJNFVYGUAY-UHFFFAOYSA-N 1 2 248.330 0.913 20 0 BCADLO CC(C)(C)[C@@H]1C[N@H+](CN2CCC2=O)CCO1 ZINC000857233342 588898249 /nfs/dbraw/zinc/89/82/49/588898249.db2.gz AUEWTYYBRQDHAS-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)(C)[C@@H]1C[N@@H+](CN2CCC2=O)CCO1 ZINC000857233342 588898250 /nfs/dbraw/zinc/89/82/50/588898250.db2.gz AUEWTYYBRQDHAS-JTQLQIEISA-N 1 2 226.320 0.923 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1CC12CC2 ZINC000519356224 583448833 /nfs/dbraw/zinc/44/88/33/583448833.db2.gz PSTQVDZKICJUBZ-SNVBAGLBSA-N 1 2 234.303 0.982 20 0 BCADLO C[C@H](CCO)N(C)c1nccn2c[nH+]cc12 ZINC000894404886 583450480 /nfs/dbraw/zinc/45/04/80/583450480.db2.gz BABATIKUCDNKAW-SECBINFHSA-N 1 2 220.276 0.936 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn(C)n2)nc1 ZINC000894440035 583459544 /nfs/dbraw/zinc/45/95/44/583459544.db2.gz QSPTVHUMKXQZLX-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn(C)n2)o1 ZINC000894439426 583460059 /nfs/dbraw/zinc/46/00/59/583460059.db2.gz KENDAFCTDPCRTQ-UHFFFAOYSA-N 1 2 222.248 0.707 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nonc2C)[C@H]1OC ZINC000894465084 583466657 /nfs/dbraw/zinc/46/66/57/583466657.db2.gz RMGZNPBSTYKXRI-JMJZKYOTSA-N 1 2 241.291 0.660 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCn3ncnc3C2)c1C ZINC000894483725 583469625 /nfs/dbraw/zinc/46/96/25/583469625.db2.gz OAPNHOXKWHTAOG-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCn3ncnc3C2)c1C ZINC000894483725 583469627 /nfs/dbraw/zinc/46/96/27/583469627.db2.gz OAPNHOXKWHTAOG-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000894538457 583480026 /nfs/dbraw/zinc/48/00/26/583480026.db2.gz QOVFRGDVXUBSHG-PSASIEDQSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000894538457 583480027 /nfs/dbraw/zinc/48/00/27/583480027.db2.gz QOVFRGDVXUBSHG-PSASIEDQSA-N 1 2 226.276 0.565 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2cnc(C)o2)C1 ZINC000894542583 583481642 /nfs/dbraw/zinc/48/16/42/583481642.db2.gz NJMUEPXLGDZLDL-UHFFFAOYSA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2CCOC[C@H]2C)C1(F)F ZINC000894573783 583487024 /nfs/dbraw/zinc/48/70/24/583487024.db2.gz XCJKTTFLQUVAEW-IWSPIJDZSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[N@H+]2CCOC[C@H]2C)C1(F)F ZINC000894573783 583487026 /nfs/dbraw/zinc/48/70/26/583487026.db2.gz XCJKTTFLQUVAEW-IWSPIJDZSA-N 1 2 249.257 0.761 20 0 BCADLO CNc1cc(N2CCc3nccnc3C2)nc[nH+]1 ZINC000894615713 583494076 /nfs/dbraw/zinc/49/40/76/583494076.db2.gz DROHGAWGXQEMJD-UHFFFAOYSA-N 1 2 242.286 0.871 20 0 BCADLO CNc1cc(N2CCc3nccnc3C2)[nH+]cn1 ZINC000894615713 583494078 /nfs/dbraw/zinc/49/40/78/583494078.db2.gz DROHGAWGXQEMJD-UHFFFAOYSA-N 1 2 242.286 0.871 20 0 BCADLO CCn1cc(C[NH2+]C2(CF)CCOCC2)nn1 ZINC000894694470 583509353 /nfs/dbraw/zinc/50/93/53/583509353.db2.gz FLIZHELGMAIGDC-UHFFFAOYSA-N 1 2 242.298 0.906 20 0 BCADLO C[C@H](O)c1cccc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]1 ZINC000894730920 583513350 /nfs/dbraw/zinc/51/33/50/583513350.db2.gz KRJYMYPLWNKLFI-CIUDSAMLSA-N 1 2 235.287 0.811 20 0 BCADLO CNc1cc(NC[C@H](O)[C@@H]2CCCO2)[nH+]cn1 ZINC000894724471 583514688 /nfs/dbraw/zinc/51/46/88/583514688.db2.gz JKIQCGVMZKZDKJ-IUCAKERBSA-N 1 2 238.291 0.470 20 0 BCADLO CN1CCOC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000894762152 583518420 /nfs/dbraw/zinc/51/84/20/583518420.db2.gz ZMEOVJAQXSNUGJ-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO COC(=O)[C@H](CF)NCc1c(C)cc[nH+]c1N ZINC000894781458 583520591 /nfs/dbraw/zinc/52/05/91/583520591.db2.gz PNXWVILXVUBATP-VIFPVBQESA-N 1 2 241.266 0.573 20 0 BCADLO C[C@@H]1CC[C@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806036 583522556 /nfs/dbraw/zinc/52/25/56/583522556.db2.gz JEBNBAAERIGGPL-PSASIEDQSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@@H]1CC[C@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806036 583522558 /nfs/dbraw/zinc/52/25/58/583522558.db2.gz JEBNBAAERIGGPL-PSASIEDQSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H]1CC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806039 583522738 /nfs/dbraw/zinc/52/27/38/583522738.db2.gz JEBNBAAERIGGPL-WPRPVWTQSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H]1CC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806039 583522740 /nfs/dbraw/zinc/52/27/40/583522740.db2.gz JEBNBAAERIGGPL-WPRPVWTQSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H](CC1CC1)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806244 583522837 /nfs/dbraw/zinc/52/28/37/583522837.db2.gz LMVOKTVOGUTMRO-SECBINFHSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@H](CC1CC1)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806244 583522838 /nfs/dbraw/zinc/52/28/38/583522838.db2.gz LMVOKTVOGUTMRO-SECBINFHSA-N 1 2 236.319 0.775 20 0 BCADLO CCOC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000894819352 583525083 /nfs/dbraw/zinc/52/50/83/583525083.db2.gz LXBRWDMQNAAORI-JTQLQIEISA-N 1 2 215.293 0.859 20 0 BCADLO CC1(O)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894830223 583527645 /nfs/dbraw/zinc/52/76/45/583527645.db2.gz HFWDIVUOPROSIG-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cn1nc2c(c1C[NH+]1CC(C)(CO)C1)CCC2 ZINC000894840575 583530239 /nfs/dbraw/zinc/53/02/39/583530239.db2.gz MOZUOHKSKYFZKB-UHFFFAOYSA-N 1 2 235.331 0.723 20 0 BCADLO CC1(C)COC[C@@H]1[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000894871432 583539701 /nfs/dbraw/zinc/53/97/01/583539701.db2.gz UOKJQAUXDKCCSA-QWRGUYRKSA-N 1 2 249.314 0.623 20 0 BCADLO Cc1coc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000894903264 583552325 /nfs/dbraw/zinc/55/23/25/583552325.db2.gz PNYGAYQZQAOBST-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1coc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000894903264 583552327 /nfs/dbraw/zinc/55/23/27/583552327.db2.gz PNYGAYQZQAOBST-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH+]2CC(OC)C2)C1(F)F ZINC000894970592 583560441 /nfs/dbraw/zinc/56/04/41/583560441.db2.gz IDQSBONCNXBDCV-HTQZYQBOSA-N 1 2 235.230 0.371 20 0 BCADLO CCOC1C[NH+](C[C@@H]2[C@@H](C(=O)OC)C2(F)F)C1 ZINC000894971450 583561025 /nfs/dbraw/zinc/56/10/25/583561025.db2.gz ZJKVEEPLFRAUBJ-BDAKNGLRSA-N 1 2 249.257 0.761 20 0 BCADLO CC[C@@](C)(C[NH2+][C@](C)(CO)C(=O)OC)OC ZINC000894972232 583561508 /nfs/dbraw/zinc/56/15/08/583561508.db2.gz NQXAPLWETHWFRW-WDEREUQCSA-N 1 2 233.308 0.315 20 0 BCADLO CC[C@H](CNC(=O)NCc1cn(C)c[nH+]1)OC ZINC000894975793 583562547 /nfs/dbraw/zinc/56/25/47/583562547.db2.gz RFUKFNZXHCZIAD-SNVBAGLBSA-N 1 2 240.307 0.644 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CC(C)(O)C1 ZINC000894977646 583563087 /nfs/dbraw/zinc/56/30/87/583563087.db2.gz VXJCZYOBKPQWBP-UHFFFAOYSA-N 1 2 207.277 0.539 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1C ZINC000895013519 583568398 /nfs/dbraw/zinc/56/83/98/583568398.db2.gz BRQKKXKNLQHJJK-PWSUYJOCSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1C ZINC000895013519 583568400 /nfs/dbraw/zinc/56/84/00/583568400.db2.gz BRQKKXKNLQHJJK-PWSUYJOCSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000895014407 583568983 /nfs/dbraw/zinc/56/89/83/583568983.db2.gz IWRQLYLLHHVHKZ-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000895014407 583568985 /nfs/dbraw/zinc/56/89/85/583568985.db2.gz IWRQLYLLHHVHKZ-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000895046861 583571014 /nfs/dbraw/zinc/57/10/14/583571014.db2.gz ZWQUDFOQBBKMIP-UHFFFAOYSA-N 1 2 249.270 0.937 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2ocnc2C)C1 ZINC000895056884 583575111 /nfs/dbraw/zinc/57/51/11/583575111.db2.gz FDVBVZQHOQJDDI-UHFFFAOYSA-N 1 2 224.260 0.978 20 0 BCADLO CCN(OC)C(=O)C[NH2+][C@H](C)c1cnccn1 ZINC000895084018 583584014 /nfs/dbraw/zinc/58/40/14/583584014.db2.gz GVNJHRYGNQHYKQ-SECBINFHSA-N 1 2 238.291 0.537 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2CCOC[C@H]2O)[nH+]1 ZINC000895091728 583587609 /nfs/dbraw/zinc/58/76/09/583587609.db2.gz PRTXECUUBRPUSV-FBIMIBRVSA-N 1 2 238.287 0.697 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1c[nH+]c[nH]1 ZINC000895121407 583595793 /nfs/dbraw/zinc/59/57/93/583595793.db2.gz QDOKXZNJYQYKCG-XHNCKOQMSA-N 1 2 222.292 0.507 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1c[nH]c[nH+]1 ZINC000895121407 583595794 /nfs/dbraw/zinc/59/57/94/583595794.db2.gz QDOKXZNJYQYKCG-XHNCKOQMSA-N 1 2 222.292 0.507 20 0 BCADLO Cc1c[nH]c(CN2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)[nH+]1 ZINC000895122456 583596222 /nfs/dbraw/zinc/59/62/22/583596222.db2.gz VFUSRVIQFNWXMJ-KXUCPTDWSA-N 1 2 236.319 0.815 20 0 BCADLO Cc1nccnc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895121869 583596361 /nfs/dbraw/zinc/59/63/61/583596361.db2.gz RVRJBXVNOPSRKT-INTQDDNPSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1nccnc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895121869 583596362 /nfs/dbraw/zinc/59/63/62/583596362.db2.gz RVRJBXVNOPSRKT-INTQDDNPSA-N 1 2 248.330 0.882 20 0 BCADLO CCONC(=O)C[NH2+]C1CCC(C)(O)CC1 ZINC000895174088 583613551 /nfs/dbraw/zinc/61/35/51/583613551.db2.gz CXZYNIKEFNLCEK-UHFFFAOYSA-N 1 2 230.308 0.337 20 0 BCADLO COC1CC([NH2+][C@@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895173787 583613781 /nfs/dbraw/zinc/61/37/81/583613781.db2.gz CAJLNNCQYCKKQV-KKMMWDRVSA-N 1 2 226.280 0.349 20 0 BCADLO CCONC(=O)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000895176358 583616031 /nfs/dbraw/zinc/61/60/31/583616031.db2.gz QTMCNFCWBLFYMG-GRZMOONWSA-N 1 2 242.319 0.601 20 0 BCADLO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1n[nH]c(=O)n1C ZINC000895177753 583616518 /nfs/dbraw/zinc/61/65/18/583616518.db2.gz XJCBMCWCEZNMRS-BIIVOSGPSA-N 1 2 242.348 0.923 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179364 583617182 /nfs/dbraw/zinc/61/71/82/583617182.db2.gz HRGUWWLUZQCJAA-RNFRBKRXSA-N 1 2 228.321 0.677 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2nccn2C)c1 ZINC000857773389 588910995 /nfs/dbraw/zinc/91/09/95/588910995.db2.gz OHYQRECPJGYKAR-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO O=C1CCC(=O)N1CC[N@@H+]1Cc2ccncc2C1 ZINC000857875108 588918105 /nfs/dbraw/zinc/91/81/05/588918105.db2.gz VZZSBBLIIWPDNG-UHFFFAOYSA-N 1 2 245.282 0.546 20 0 BCADLO O=C1CCC(=O)N1CC[N@H+]1Cc2ccncc2C1 ZINC000857875108 588918107 /nfs/dbraw/zinc/91/81/07/588918107.db2.gz VZZSBBLIIWPDNG-UHFFFAOYSA-N 1 2 245.282 0.546 20 0 BCADLO COc1nccnc1C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895303719 583645287 /nfs/dbraw/zinc/64/52/87/583645287.db2.gz BYXPUYQGQYQVKI-SECBINFHSA-N 1 2 236.275 0.740 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC2(C)C)[nH]c1C ZINC000895322233 583650131 /nfs/dbraw/zinc/65/01/31/583650131.db2.gz SLJQNCXOYWQNCP-SNVBAGLBSA-N 1 2 236.319 0.641 20 0 BCADLO Cc1[nH]c(CN[C@@H]2C(=O)NCC2(C)C)[nH+]c1C ZINC000895322233 583650132 /nfs/dbraw/zinc/65/01/32/583650132.db2.gz SLJQNCXOYWQNCP-SNVBAGLBSA-N 1 2 236.319 0.641 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000895330348 583653569 /nfs/dbraw/zinc/65/35/69/583653569.db2.gz LHSLGLKLXCEDAF-WDEREUQCSA-N 1 2 225.292 0.036 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000895330348 583653570 /nfs/dbraw/zinc/65/35/70/583653570.db2.gz LHSLGLKLXCEDAF-WDEREUQCSA-N 1 2 225.292 0.036 20 0 BCADLO Cc1ccoc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895368171 583660962 /nfs/dbraw/zinc/66/09/62/583660962.db2.gz NDUKXNYVXUONOV-BDAKNGLRSA-N 1 2 224.260 0.009 20 0 BCADLO Cc1ccoc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895368171 583660963 /nfs/dbraw/zinc/66/09/63/583660963.db2.gz NDUKXNYVXUONOV-BDAKNGLRSA-N 1 2 224.260 0.009 20 0 BCADLO O=C1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C(=O)N1 ZINC000857878923 588919718 /nfs/dbraw/zinc/91/97/18/588919718.db2.gz OTTCJFIORSEIKZ-SNVBAGLBSA-N 1 2 231.255 0.202 20 0 BCADLO O=C1CC[C@@H]([N@H+]2Cc3ccncc3C2)C(=O)N1 ZINC000857878923 588919719 /nfs/dbraw/zinc/91/97/19/588919719.db2.gz OTTCJFIORSEIKZ-SNVBAGLBSA-N 1 2 231.255 0.202 20 0 BCADLO C[C@@H]1C[C@H](C[N@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397292 583664654 /nfs/dbraw/zinc/66/46/54/583664654.db2.gz FJLKOYFBAXFJTB-NXEZZACHSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[C@H](C[N@@H+](C)C2CS(=O)(=O)C2)CCO1 ZINC000895397292 583664657 /nfs/dbraw/zinc/66/46/57/583664657.db2.gz FJLKOYFBAXFJTB-NXEZZACHSA-N 1 2 247.360 0.530 20 0 BCADLO C[N@H+](C[C@H]1CCSC1)C1CS(=O)(=O)C1 ZINC000895397752 583665139 /nfs/dbraw/zinc/66/51/39/583665139.db2.gz KSGBORQCJFJLRF-MRVPVSSYSA-N 1 2 235.374 0.468 20 0 BCADLO C[N@@H+](C[C@H]1CCSC1)C1CS(=O)(=O)C1 ZINC000895397752 583665140 /nfs/dbraw/zinc/66/51/40/583665140.db2.gz KSGBORQCJFJLRF-MRVPVSSYSA-N 1 2 235.374 0.468 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC=CO1 ZINC000857888294 588920967 /nfs/dbraw/zinc/92/09/67/588920967.db2.gz XZDVCWONPWLHBR-MWLCHTKSSA-N 1 2 233.271 0.617 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnsn1 ZINC000857887452 588920985 /nfs/dbraw/zinc/92/09/85/588920985.db2.gz LCUGWIWWSKCKJW-LURJTMIESA-N 1 2 235.272 0.089 20 0 BCADLO O=C(C[C@@H]1CCCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890287 588921242 /nfs/dbraw/zinc/92/12/42/588921242.db2.gz SUJYBWFOFZZETQ-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=COCC1 ZINC000857890168 588921266 /nfs/dbraw/zinc/92/12/66/588921266.db2.gz RDUXBKIVMFOSHK-VIFPVBQESA-N 1 2 219.244 0.228 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000857890573 588921282 /nfs/dbraw/zinc/92/12/82/588921282.db2.gz AXISTKMXPKSTHW-RXMQYKEDSA-N 1 2 201.176 0.189 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)O)c[nH+]1 ZINC000895663997 583702667 /nfs/dbraw/zinc/70/26/67/583702667.db2.gz VAXPTNRSEGYNPE-SECBINFHSA-N 1 2 225.292 0.424 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H](C)O ZINC000895743965 583716263 /nfs/dbraw/zinc/71/62/63/583716263.db2.gz QWNWMJVOLWBQIV-BGZDPUMWSA-N 1 2 201.266 0.154 20 0 BCADLO CC(C)c1nnc(C[NH2+][C@@H]2COC[C@@H]2O)s1 ZINC000895701123 583709721 /nfs/dbraw/zinc/70/97/21/583709721.db2.gz XOYXJSDEFHUQBA-SFYZADRCSA-N 1 2 243.332 0.511 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C=CCC2)c1 ZINC000895720395 583711869 /nfs/dbraw/zinc/71/18/69/583711869.db2.gz ICQHLHLQGUBCNF-SECBINFHSA-N 1 2 220.276 0.938 20 0 BCADLO CO[C@@H](C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895741334 583714106 /nfs/dbraw/zinc/71/41/06/583714106.db2.gz CKCDPEYQOGCMHS-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO c1[nH]c(CNc2n[nH]c3c2COCC3)c[nH+]1 ZINC000895741579 583714505 /nfs/dbraw/zinc/71/45/05/583714505.db2.gz JGOBRCPZOAVPIC-UHFFFAOYSA-N 1 2 219.248 0.818 20 0 BCADLO c1[nH]cc(CNc2n[nH]c3c2COCC3)[nH+]1 ZINC000895741579 583714507 /nfs/dbraw/zinc/71/45/07/583714507.db2.gz JGOBRCPZOAVPIC-UHFFFAOYSA-N 1 2 219.248 0.818 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)CCO1 ZINC000895743273 583715345 /nfs/dbraw/zinc/71/53/45/583715345.db2.gz FKPLQPMESURJCO-DBIOUOCHSA-N 1 2 245.319 0.456 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@@H](OC)C1)[C@@H](C)O ZINC000895743894 583715829 /nfs/dbraw/zinc/71/58/29/583715829.db2.gz OXCGHMPUJGIROA-YTWAJWBKSA-N 1 2 245.319 0.456 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000895746208 583716718 /nfs/dbraw/zinc/71/67/18/583716718.db2.gz IHCKAPVLRSSIQX-ZCFIWIBFSA-N 1 2 224.268 0.011 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000895746208 583716721 /nfs/dbraw/zinc/71/67/21/583716721.db2.gz IHCKAPVLRSSIQX-ZCFIWIBFSA-N 1 2 224.268 0.011 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000895755973 583720305 /nfs/dbraw/zinc/72/03/05/583720305.db2.gz DFLUNVHJBLNEQM-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCCn3nncc3C2)n1 ZINC000895755973 583720306 /nfs/dbraw/zinc/72/03/06/583720306.db2.gz DFLUNVHJBLNEQM-UHFFFAOYSA-N 1 2 232.291 0.716 20 0 BCADLO CC(C)(C[NH2+][C@H]1CCOC1=O)N1CCOCC1 ZINC000895808657 583729723 /nfs/dbraw/zinc/72/97/23/583729723.db2.gz LTAAVKRBMIACSS-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)(CN[C@H]1CCOC1=O)[NH+]1CCOCC1 ZINC000895808657 583729725 /nfs/dbraw/zinc/72/97/25/583729725.db2.gz LTAAVKRBMIACSS-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO CCn1c[nH+]cc1CN[C@H]1CCOC1=O ZINC000895808685 583729800 /nfs/dbraw/zinc/72/98/00/583729800.db2.gz MNIAYCCQNDFHMN-VIFPVBQESA-N 1 2 209.249 0.308 20 0 BCADLO CCn1cc[nH+]c1CN[C@H]1CCOC1=O ZINC000895801581 583730811 /nfs/dbraw/zinc/73/08/11/583730811.db2.gz QPXLONMVYDQRIQ-QMMMGPOBSA-N 1 2 209.249 0.308 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000895801533 583731019 /nfs/dbraw/zinc/73/10/19/583731019.db2.gz KFHCSHCCTACBAT-SFYZADRCSA-N 1 2 201.291 0.787 20 0 BCADLO COC(=O)N1CCC([NH2+][C@H]2CCOC2=O)CC1 ZINC000895803950 583731467 /nfs/dbraw/zinc/73/14/67/583731467.db2.gz GEXQDCKAVRZOPT-VIFPVBQESA-N 1 2 242.275 0.122 20 0 BCADLO C[C@H]1CSC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000895807122 583732230 /nfs/dbraw/zinc/73/22/30/583732230.db2.gz KFLNCSMXGKVTBT-BIIVOSGPSA-N 1 2 201.291 0.643 20 0 BCADLO O=C1OCC[C@@H]1NCc1cccc2[nH+]ccn21 ZINC000895805457 583732273 /nfs/dbraw/zinc/73/22/73/583732273.db2.gz UKXLXYWBRKSSOU-JTQLQIEISA-N 1 2 231.255 0.739 20 0 BCADLO CO[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000895808463 583732857 /nfs/dbraw/zinc/73/28/57/583732857.db2.gz NDVJFDJXYKLSJW-GUBZILKMSA-N 1 2 225.288 0.849 20 0 BCADLO COC(=O)N[C@H]1CCN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000895842494 583734628 /nfs/dbraw/zinc/73/46/28/583734628.db2.gz GBBRWFZMSKOHNC-VIFPVBQESA-N 1 2 238.291 0.648 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000727701995 583740319 /nfs/dbraw/zinc/74/03/19/583740319.db2.gz NQXVXDJYMJZIKH-ZJUUUORDSA-N 1 2 243.376 0.191 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983434 588925893 /nfs/dbraw/zinc/92/58/93/588925893.db2.gz RRRBXCONMJCLTJ-WPRPVWTQSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(COCC(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC000857973884 588926227 /nfs/dbraw/zinc/92/62/27/588926227.db2.gz DCMXVIBCLFCOIM-ZETCQYMHSA-N 1 2 245.229 0.726 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000895969202 583754893 /nfs/dbraw/zinc/75/48/93/583754893.db2.gz ZFLIGPHTPWWQEY-WDEREUQCSA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000895969202 583754894 /nfs/dbraw/zinc/75/48/94/583754894.db2.gz ZFLIGPHTPWWQEY-WDEREUQCSA-N 1 2 213.277 0.984 20 0 BCADLO Cc1nc(Cc2noc(C3([NH+](C)C)CC3)n2)no1 ZINC000895973518 583756714 /nfs/dbraw/zinc/75/67/14/583756714.db2.gz GWSOIJYMXUQPHX-UHFFFAOYSA-N 1 2 249.274 0.903 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977948 588926922 /nfs/dbraw/zinc/92/69/22/588926922.db2.gz JRTOSXZQKYBXGG-YIZRAAEISA-N 1 2 249.270 0.253 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978985 588927147 /nfs/dbraw/zinc/92/71/47/588927147.db2.gz RSPXPCKFZLXMBH-SCZZXKLOSA-N 1 2 234.259 0.609 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(O)CCC1 ZINC000857980818 588927297 /nfs/dbraw/zinc/92/72/97/588927297.db2.gz QLZPVPMPAKXLDY-QMMMGPOBSA-N 1 2 221.260 0.359 20 0 BCADLO Cc1cc(CCNc2nc(C)[nH+]c(N)n2)nn1C ZINC000896024325 583762409 /nfs/dbraw/zinc/76/24/09/583762409.db2.gz YAFUEZHVEDPXBT-UHFFFAOYSA-N 1 2 247.306 0.459 20 0 BCADLO Cc1cc(CCNc2nc(N)nc(C)[nH+]2)nn1C ZINC000896024325 583762410 /nfs/dbraw/zinc/76/24/10/583762410.db2.gz YAFUEZHVEDPXBT-UHFFFAOYSA-N 1 2 247.306 0.459 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=COCC1 ZINC000727755588 583765108 /nfs/dbraw/zinc/76/51/08/583765108.db2.gz BIPUGLOAMMBCIK-JTQLQIEISA-N 1 2 240.303 0.128 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857978892 588927628 /nfs/dbraw/zinc/92/76/28/588927628.db2.gz RNYAYHPJUVUQDG-ZWNOBZJWSA-N 1 2 249.314 0.995 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CO1 ZINC000857982557 588927722 /nfs/dbraw/zinc/92/77/22/588927722.db2.gz PSTYHTOUMBKHCR-BBBLOLIVSA-N 1 2 235.287 0.869 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857981655 588927862 /nfs/dbraw/zinc/92/78/62/588927862.db2.gz AKCALOMNSHUQJK-MRVPVSSYSA-N 1 2 231.259 0.491 20 0 BCADLO CCn1ccnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982471 588927873 /nfs/dbraw/zinc/92/78/73/588927873.db2.gz PEKVTEZDWYOSJS-VIFPVBQESA-N 1 2 245.286 0.974 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982838 588928084 /nfs/dbraw/zinc/92/80/84/588928084.db2.gz MSCOFPDWCJNAEI-UWVGGRQHSA-N 1 2 237.303 0.995 20 0 BCADLO O=C1C[C@H](CCNc2cc[nH+]cc2F)CN1 ZINC000896134637 583775036 /nfs/dbraw/zinc/77/50/36/583775036.db2.gz LXIDHXYYEOPTQL-QMMMGPOBSA-N 1 2 223.251 0.581 20 0 BCADLO CCOCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984155 588928650 /nfs/dbraw/zinc/92/86/50/588928650.db2.gz GTSZSIDWIVXTAG-VIFPVBQESA-N 1 2 223.276 0.871 20 0 BCADLO CCn1nccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983301 588928813 /nfs/dbraw/zinc/92/88/13/588928813.db2.gz ZRCPYNLGHUUSHA-VIFPVBQESA-N 1 2 245.286 0.974 20 0 BCADLO CCC[C@H](O)CCNc1nc(C)[nH+]c(N)n1 ZINC000896186634 583780895 /nfs/dbraw/zinc/78/08/95/583780895.db2.gz QGGHHNWERKHUJM-QMMMGPOBSA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@H](O)CCNc1nc(N)nc(C)[nH+]1 ZINC000896186634 583780898 /nfs/dbraw/zinc/78/08/98/583780898.db2.gz QGGHHNWERKHUJM-QMMMGPOBSA-N 1 2 225.296 0.725 20 0 BCADLO CONC(=O)CNc1nc(C)[nH+]c(C)c1C ZINC000896195753 583782384 /nfs/dbraw/zinc/78/23/84/583782384.db2.gz QBGDDERZGFYKNX-UHFFFAOYSA-N 1 2 224.264 0.491 20 0 BCADLO CCc1nc(NCC(=O)NOC)cc(C)[nH+]1 ZINC000896193894 583783172 /nfs/dbraw/zinc/78/31/72/583783172.db2.gz IFANOVNSKCAZRM-UHFFFAOYSA-N 1 2 224.264 0.437 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccn[nH]1 ZINC000857987230 588929307 /nfs/dbraw/zinc/92/93/07/588929307.db2.gz WPMXMKXPSLWZPK-ZETCQYMHSA-N 1 2 217.232 0.481 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987533 588929445 /nfs/dbraw/zinc/92/94/45/588929445.db2.gz VDNCDVPUWWHJHH-BXKDBHETSA-N 1 2 237.303 0.995 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985567 588929469 /nfs/dbraw/zinc/92/94/69/588929469.db2.gz PGNALSKTRZQVQV-MRVPVSSYSA-N 1 2 231.259 0.491 20 0 BCADLO CCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC000857986980 588929483 /nfs/dbraw/zinc/92/94/83/588929483.db2.gz QKIVTPVVWRMHHQ-SNVBAGLBSA-N 1 2 245.286 0.974 20 0 BCADLO Cc1cnc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC000857991205 588929776 /nfs/dbraw/zinc/92/97/76/588929776.db2.gz VSZIONFVQALUTH-SECBINFHSA-N 1 2 243.270 0.856 20 0 BCADLO COCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994494 588929992 /nfs/dbraw/zinc/92/99/92/588929992.db2.gz KEZGEGQHHUSIPD-UHFFFAOYSA-N 1 2 221.260 0.795 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000896358393 583796360 /nfs/dbraw/zinc/79/63/60/583796360.db2.gz UWBZOQUTKCVQAP-KOLCDFICSA-N 1 2 235.287 0.691 20 0 BCADLO CC[N@@H+]1CCO[C@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896483330 583806175 /nfs/dbraw/zinc/80/61/75/583806175.db2.gz XRLMGZPPABYMMJ-VIFPVBQESA-N 1 2 249.274 0.853 20 0 BCADLO CC[N@H+]1CCO[C@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896483330 583806176 /nfs/dbraw/zinc/80/61/76/583806176.db2.gz XRLMGZPPABYMMJ-VIFPVBQESA-N 1 2 249.274 0.853 20 0 BCADLO C[C@H]1CCN(C(=O)CO)C[C@@H]1n1cc[nH+]c1 ZINC000896515346 583808513 /nfs/dbraw/zinc/80/85/13/583808513.db2.gz ARWUTXFGSKTUCA-UWVGGRQHSA-N 1 2 223.276 0.285 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896546769 583809642 /nfs/dbraw/zinc/80/96/42/583809642.db2.gz WYKMYBFBFBODJE-DDHJBXDOSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896546769 583809643 /nfs/dbraw/zinc/80/96/43/583809643.db2.gz WYKMYBFBFBODJE-DDHJBXDOSA-N 1 2 239.363 0.393 20 0 BCADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896548985 583809894 /nfs/dbraw/zinc/80/98/94/583809894.db2.gz PLRZBUAVPWGZBD-SECBINFHSA-N 1 2 249.274 0.853 20 0 BCADLO CC[N@H+]1CCO[C@@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896548985 583809897 /nfs/dbraw/zinc/80/98/97/583809897.db2.gz PLRZBUAVPWGZBD-SECBINFHSA-N 1 2 249.274 0.853 20 0 BCADLO C[C@@H](NC(=O)C1(C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557507 583812851 /nfs/dbraw/zinc/81/28/51/583812851.db2.gz VABXCZBRURZAFY-GHMZBOCLSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)C1(C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896557507 583812853 /nfs/dbraw/zinc/81/28/53/583812853.db2.gz VABXCZBRURZAFY-GHMZBOCLSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896581206 583814471 /nfs/dbraw/zinc/81/44/71/583814471.db2.gz QENCJBMPZWUPIW-KOLCDFICSA-N 1 2 225.336 0.147 20 0 BCADLO C[C@@H](NC(=O)C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896581206 583814472 /nfs/dbraw/zinc/81/44/72/583814472.db2.gz QENCJBMPZWUPIW-KOLCDFICSA-N 1 2 225.336 0.147 20 0 BCADLO Cc1cc(NC[C@H](O)c2ccnn2C)nc[nH+]1 ZINC000896625580 583818141 /nfs/dbraw/zinc/81/81/41/583818141.db2.gz QZIDQFNZLUPCGK-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000896638442 583819805 /nfs/dbraw/zinc/81/98/05/583819805.db2.gz BPBRIZXSCXNFHR-WCBMZHEXSA-N 1 2 238.291 0.254 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](CO)C1 ZINC000896690998 583822462 /nfs/dbraw/zinc/82/24/62/583822462.db2.gz JTWKRYQVPSJCAD-KYZUINATSA-N 1 2 223.276 0.976 20 0 BCADLO Cc1nc(N[C@@H]2CCc3nnn(C)c3C2)cc[nH+]1 ZINC000896677134 583823065 /nfs/dbraw/zinc/82/30/65/583823065.db2.gz OXPLHORHXDKWKA-SECBINFHSA-N 1 2 244.302 0.883 20 0 BCADLO OCc1cc[nH+]c(N[C@H]2C[C@H](CO)C2)c1 ZINC000896695654 583824572 /nfs/dbraw/zinc/82/45/72/583824572.db2.gz YQVPFYZXOGIKCP-MGCOHNPYSA-N 1 2 208.261 0.757 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)n[nH]1 ZINC000896916667 583854785 /nfs/dbraw/zinc/85/47/85/583854785.db2.gz GOTAVNVHCRITKU-UHFFFAOYSA-N 1 2 247.302 0.917 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)[nH]n1 ZINC000896916667 583854787 /nfs/dbraw/zinc/85/47/87/583854787.db2.gz GOTAVNVHCRITKU-UHFFFAOYSA-N 1 2 247.302 0.917 20 0 BCADLO CONC(=O)C[NH2+]C1CC(CF)(CF)C1 ZINC000896925062 583857497 /nfs/dbraw/zinc/85/74/97/583857497.db2.gz SNAXBDCSMZVHBR-UHFFFAOYSA-N 1 2 222.235 0.341 20 0 BCADLO CONC(=O)C[NH2+]CCc1ccc(C)cc1 ZINC000896927221 583858517 /nfs/dbraw/zinc/85/85/17/583858517.db2.gz OUOAMFIHAFEGDX-UHFFFAOYSA-N 1 2 222.288 0.805 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000896926949 583858806 /nfs/dbraw/zinc/85/88/06/583858806.db2.gz MLLSRGIQEWHCKC-DTWKUNHWSA-N 1 2 200.282 0.688 20 0 BCADLO CONC(=O)C[NH2+]C[C@H](C)C(C)(C)C ZINC000896927887 583859135 /nfs/dbraw/zinc/85/91/35/583859135.db2.gz UXYKBLZCPXYIAQ-QMMMGPOBSA-N 1 2 202.298 0.936 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnn(C)c2)[nH+]c1C ZINC000896928618 583859254 /nfs/dbraw/zinc/85/92/54/583859254.db2.gz XHWDUIOWJSOFEF-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000896928220 583859326 /nfs/dbraw/zinc/85/93/26/583859326.db2.gz YDLDKFGKRHLQNS-DTWKUNHWSA-N 1 2 216.281 0.069 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CCc1ccco1 ZINC000896928208 583859374 /nfs/dbraw/zinc/85/93/74/583859374.db2.gz XUQVMBGBFQGGBP-SECBINFHSA-N 1 2 226.276 0.868 20 0 BCADLO CC(C)([NH2+]Cc1ncccn1)C(=O)N1CCCC1 ZINC000796586155 583862006 /nfs/dbraw/zinc/86/20/06/583862006.db2.gz YBLZEXFZVCTYTO-UHFFFAOYSA-N 1 2 248.330 0.967 20 0 BCADLO Cc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000896971401 583866285 /nfs/dbraw/zinc/86/62/85/583866285.db2.gz REXHCLHGVKBDCI-BBBLOLIVSA-N 1 2 223.276 0.471 20 0 BCADLO CCc1cc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000896971331 583866391 /nfs/dbraw/zinc/86/63/91/583866391.db2.gz PLUJHCZDPITYLZ-AXFHLTTASA-N 1 2 237.303 0.725 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC[C@H]2CO)[nH+]1 ZINC000897119719 583882624 /nfs/dbraw/zinc/88/26/24/583882624.db2.gz GPGHZRKIQQYLKI-QMMMGPOBSA-N 1 2 218.260 0.837 20 0 BCADLO FC(F)(F)c1cc(C[NH2+]Cc2cnn[nH]2)[nH]n1 ZINC000858198161 588938683 /nfs/dbraw/zinc/93/86/83/588938683.db2.gz QEEOQNBQZODNHI-UHFFFAOYSA-N 1 2 246.196 0.836 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)c1[nH+]cnc2c1cnn2C ZINC000897144714 583885465 /nfs/dbraw/zinc/88/54/65/583885465.db2.gz MYUXAZUWKCFAMH-NXEZZACHSA-N 1 2 247.302 0.977 20 0 BCADLO Cn1c[nH+]c(CN2CCNC(=O)C2(C)C)c1 ZINC000788020354 583898077 /nfs/dbraw/zinc/89/80/77/583898077.db2.gz OZKWWCRHXQXBJG-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC(CO)C2)c[nH+]1 ZINC000897373469 583944193 /nfs/dbraw/zinc/94/41/93/583944193.db2.gz CGGNJIMGPSCVAZ-UHFFFAOYSA-N 1 2 237.303 0.377 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@@H](F)C1 ZINC000897378142 583946937 /nfs/dbraw/zinc/94/69/37/583946937.db2.gz BOJLQWIZGHPAMQ-IUCAKERBSA-N 1 2 226.251 0.999 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cocn1 ZINC000858319830 588944880 /nfs/dbraw/zinc/94/48/80/588944880.db2.gz RPVOOJGCTDLYEX-ZETCQYMHSA-N 1 2 213.237 0.173 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2cnn(CC)n2)cn1 ZINC000858207481 588939123 /nfs/dbraw/zinc/93/91/23/588939123.db2.gz XTXAAUFONOXCHF-UHFFFAOYSA-N 1 2 232.291 0.885 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(=O)N2CCC[C@@H]21 ZINC000888163813 583976300 /nfs/dbraw/zinc/97/63/00/583976300.db2.gz RVSNWVDQDZVHAV-JTQLQIEISA-N 1 2 248.286 0.133 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2CO)[nH+]1 ZINC000889157543 583981701 /nfs/dbraw/zinc/98/17/01/583981701.db2.gz QQCQSINJIKIGBR-SECBINFHSA-N 1 2 223.276 0.108 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729295043 583989583 /nfs/dbraw/zinc/98/95/83/583989583.db2.gz WHFRCBJRXYRLPP-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729295043 583989584 /nfs/dbraw/zinc/98/95/84/583989584.db2.gz WHFRCBJRXYRLPP-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO CCNC(=S)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729649320 584021254 /nfs/dbraw/zinc/02/12/54/584021254.db2.gz XGVFINORANZBBL-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO OCC1CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865674367 584026637 /nfs/dbraw/zinc/02/66/37/584026637.db2.gz UUSRLZBSQDEOMT-UHFFFAOYSA-N 1 2 238.678 0.991 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCCNC2=O)cn1 ZINC000729850096 584026806 /nfs/dbraw/zinc/02/68/06/584026806.db2.gz UVDUQACNHFZFKS-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CCCCNC2=O)cn1 ZINC000729850096 584026809 /nfs/dbraw/zinc/02/68/09/584026809.db2.gz UVDUQACNHFZFKS-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920215 584029802 /nfs/dbraw/zinc/02/98/02/584029802.db2.gz LDCGOSBDGAQRIZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920215 584029803 /nfs/dbraw/zinc/02/98/03/584029803.db2.gz LDCGOSBDGAQRIZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729920215 584029804 /nfs/dbraw/zinc/02/98/04/584029804.db2.gz LDCGOSBDGAQRIZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729920215 584029805 /nfs/dbraw/zinc/02/98/05/584029805.db2.gz LDCGOSBDGAQRIZ-WDEREUQCSA-N 1 2 235.287 0.836 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000897624903 584032742 /nfs/dbraw/zinc/03/27/42/584032742.db2.gz CMKLXYWEJVJZOX-URLYPYJESA-N 1 2 249.314 0.688 20 0 BCADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCF)[nH]n1 ZINC000897639910 584034861 /nfs/dbraw/zinc/03/48/61/584034861.db2.gz JTOYDWYDJVQXLU-SNVBAGLBSA-N 1 2 240.282 0.876 20 0 BCADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCF)[nH]n1 ZINC000897639910 584034864 /nfs/dbraw/zinc/03/48/64/584034864.db2.gz JTOYDWYDJVQXLU-SNVBAGLBSA-N 1 2 240.282 0.876 20 0 BCADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCF)n[nH]1 ZINC000897639910 584034866 /nfs/dbraw/zinc/03/48/66/584034866.db2.gz JTOYDWYDJVQXLU-SNVBAGLBSA-N 1 2 240.282 0.876 20 0 BCADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCF)n[nH]1 ZINC000897639910 584034869 /nfs/dbraw/zinc/03/48/69/584034869.db2.gz JTOYDWYDJVQXLU-SNVBAGLBSA-N 1 2 240.282 0.876 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1C ZINC000897676731 584036415 /nfs/dbraw/zinc/03/64/15/584036415.db2.gz WUZTYEZWHBGDRL-WRWORJQWSA-N 1 2 209.293 0.839 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C ZINC000897676731 584036416 /nfs/dbraw/zinc/03/64/16/584036416.db2.gz WUZTYEZWHBGDRL-WRWORJQWSA-N 1 2 209.293 0.839 20 0 BCADLO Cn1ccc(C[NH+]2CC3(C2)CCNC(=O)O3)c1 ZINC000897751742 584043576 /nfs/dbraw/zinc/04/35/76/584043576.db2.gz SGSXNYIVFJPADQ-UHFFFAOYSA-N 1 2 235.287 0.709 20 0 BCADLO CCn1cc[nH+]c1CN1CC(N2CCCC2=O)C1 ZINC000897786548 584048285 /nfs/dbraw/zinc/04/82/85/584048285.db2.gz TUVNWMALBXFFFW-UHFFFAOYSA-N 1 2 248.330 0.710 20 0 BCADLO CCC[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)OC ZINC000897834264 584052721 /nfs/dbraw/zinc/05/27/21/584052721.db2.gz KXSYLSDWPRYYDQ-VHSXEESVSA-N 1 2 240.307 0.598 20 0 BCADLO CCCn1cc(C[NH2+][C@]2(C)CCNC2=O)nn1 ZINC000897866835 584055254 /nfs/dbraw/zinc/05/52/54/584055254.db2.gz IAGVIQRAABHKKJ-LLVKDONJSA-N 1 2 237.307 0.056 20 0 BCADLO Cc1nc(C[NH2+][C@@]2(C)CCNC2=O)[nH]c1C ZINC000897867735 584055478 /nfs/dbraw/zinc/05/54/78/584055478.db2.gz AEYJLYUJZJNCLW-NSHDSACASA-N 1 2 222.292 0.395 20 0 BCADLO Cc1[nH]c(CN[C@@]2(C)CCNC2=O)[nH+]c1C ZINC000897867735 584055480 /nfs/dbraw/zinc/05/54/80/584055480.db2.gz AEYJLYUJZJNCLW-NSHDSACASA-N 1 2 222.292 0.395 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000897878951 584057037 /nfs/dbraw/zinc/05/70/37/584057037.db2.gz FORIAADDBNVEJT-SECBINFHSA-N 1 2 249.318 0.393 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000897878952 584057079 /nfs/dbraw/zinc/05/70/79/584057079.db2.gz FORIAADDBNVEJT-VIFPVBQESA-N 1 2 249.318 0.393 20 0 BCADLO O=c1[nH]nc(CCCNc2cc[nH+]c(CO)c2)[nH]1 ZINC000858431046 588954222 /nfs/dbraw/zinc/95/42/22/588954222.db2.gz NPJUTWHYKROGHC-UHFFFAOYSA-N 1 2 249.274 0.442 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000898098617 584085437 /nfs/dbraw/zinc/08/54/37/584085437.db2.gz BBQDAMNQFZKULH-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1C ZINC000898182470 584093510 /nfs/dbraw/zinc/09/35/10/584093510.db2.gz CTUSHAVKWHLGIF-ONGXEEELSA-N 1 2 227.283 0.931 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1C ZINC000898182470 584093511 /nfs/dbraw/zinc/09/35/11/584093511.db2.gz CTUSHAVKWHLGIF-ONGXEEELSA-N 1 2 227.283 0.931 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187454 584094301 /nfs/dbraw/zinc/09/43/01/584094301.db2.gz JUQQPWPQFBYYSH-JQWIXIFHSA-N 1 2 241.310 0.887 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187454 584094302 /nfs/dbraw/zinc/09/43/02/584094302.db2.gz JUQQPWPQFBYYSH-JQWIXIFHSA-N 1 2 241.310 0.887 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC000898189092 584094658 /nfs/dbraw/zinc/09/46/58/584094658.db2.gz WUWKALXOKOSJLE-GHMZBOCLSA-N 1 2 225.267 0.888 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC000898189092 584094659 /nfs/dbraw/zinc/09/46/59/584094659.db2.gz WUWKALXOKOSJLE-GHMZBOCLSA-N 1 2 225.267 0.888 20 0 BCADLO C[C@H](Nc1nccnc1F)[C@H]1C[N@H+](C)CCO1 ZINC000858453233 588956284 /nfs/dbraw/zinc/95/62/84/588956284.db2.gz QZRQXPYUECTAHC-DTWKUNHWSA-N 1 2 240.282 0.747 20 0 BCADLO C[C@H](Nc1nccnc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000858453233 588956285 /nfs/dbraw/zinc/95/62/85/588956285.db2.gz QZRQXPYUECTAHC-DTWKUNHWSA-N 1 2 240.282 0.747 20 0 BCADLO C/C=C\C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000730034853 584100478 /nfs/dbraw/zinc/10/04/78/584100478.db2.gz BTICZJDSVZPKAS-ARJAWSKDSA-N 1 2 248.330 0.640 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000898288622 584106106 /nfs/dbraw/zinc/10/61/06/584106106.db2.gz XTFUTLVUGJBJOX-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000898288622 584106107 /nfs/dbraw/zinc/10/61/07/584106107.db2.gz XTFUTLVUGJBJOX-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO C/C=C/CNC(=O)NCc1c[nH+]cn1C ZINC000858464503 588957390 /nfs/dbraw/zinc/95/73/90/588957390.db2.gz KTCAEOFHCLINJM-ONEGZZNKSA-N 1 2 208.265 0.795 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000858464983 588957665 /nfs/dbraw/zinc/95/76/65/588957665.db2.gz VMLHYBSTTQLDAZ-CZMCAQCFSA-N 1 2 238.291 0.397 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H]2C[C@@]2(CO)C1 ZINC000858505933 588961361 /nfs/dbraw/zinc/96/13/61/588961361.db2.gz RAGSKOJJSQTQCS-SKDRFNHKSA-N 1 2 220.272 0.909 20 0 BCADLO Cc1nnc(CNC(=O)C=Cc2cn(C)c[nH+]2)[nH]1 ZINC000889696844 584119554 /nfs/dbraw/zinc/11/95/54/584119554.db2.gz NDPNGUBIQZKTAK-ONEGZZNKSA-N 1 2 246.274 0.176 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898492654 584140159 /nfs/dbraw/zinc/14/01/59/584140159.db2.gz XWCZZZOILHGOFB-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898492654 584140162 /nfs/dbraw/zinc/14/01/62/584140162.db2.gz XWCZZZOILHGOFB-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cocn1 ZINC000898490429 584140283 /nfs/dbraw/zinc/14/02/83/584140283.db2.gz IBVVMQDZDBIMBC-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cocn1 ZINC000898490429 584140285 /nfs/dbraw/zinc/14/02/85/584140285.db2.gz IBVVMQDZDBIMBC-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000898579379 584142763 /nfs/dbraw/zinc/14/27/63/584142763.db2.gz QQPHPNWLAWLLDP-SCZZXKLOSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1CO[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000898579379 584142765 /nfs/dbraw/zinc/14/27/65/584142765.db2.gz QQPHPNWLAWLLDP-SCZZXKLOSA-N 1 2 223.276 0.793 20 0 BCADLO CN(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000898612170 584146560 /nfs/dbraw/zinc/14/65/60/584146560.db2.gz HHEHMGRBQDYHQV-UHFFFAOYSA-N 1 2 208.265 0.724 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628672 584146909 /nfs/dbraw/zinc/14/69/09/584146909.db2.gz VKKIBANXMOBTKJ-BDAKNGLRSA-N 1 2 240.307 0.379 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NC2(CCO)CC2)c1 ZINC000898618932 584147790 /nfs/dbraw/zinc/14/77/90/584147790.db2.gz FAMAVZAAFFQDSV-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC(C3CC3)C2)c1 ZINC000898621900 584147906 /nfs/dbraw/zinc/14/79/06/584147906.db2.gz OTAFORRYNNYMJG-UHFFFAOYSA-N 1 2 234.303 0.972 20 0 BCADLO C/C(=C/C(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898883890 584163940 /nfs/dbraw/zinc/16/39/40/584163940.db2.gz MOSXCJWXIZKIIA-GWZUUTHWSA-N 1 2 249.314 0.926 20 0 BCADLO CC(C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898881314 584164547 /nfs/dbraw/zinc/16/45/47/584164547.db2.gz KQBORBLKZAVQHS-SECBINFHSA-N 1 2 225.292 0.616 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898881288 584164744 /nfs/dbraw/zinc/16/47/44/584164744.db2.gz KBRACGMWITZYRI-IWSPIJDZSA-N 1 2 223.276 0.226 20 0 BCADLO CC(C)(CNC(=O)C1CC(=O)C1)n1cc[nH+]c1 ZINC000898905098 584164904 /nfs/dbraw/zinc/16/49/04/584164904.db2.gz SFBVORBRSKIWFG-UHFFFAOYSA-N 1 2 235.287 0.714 20 0 BCADLO CCC(F)(F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898895214 584165011 /nfs/dbraw/zinc/16/50/11/584165011.db2.gz FVFJZQAQKJUKSW-ZETCQYMHSA-N 1 2 247.245 0.615 20 0 BCADLO Cn1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)n1 ZINC000898902948 584165039 /nfs/dbraw/zinc/16/50/39/584165039.db2.gz XDNQHFKLASJIDF-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO CC(C)(CNC(=O)c1ccn[nH]1)n1cc[nH+]c1 ZINC000898899799 584165049 /nfs/dbraw/zinc/16/50/49/584165049.db2.gz PYGFYKANWSKIMK-UHFFFAOYSA-N 1 2 233.275 0.771 20 0 BCADLO C/C=C(\CC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898893397 584165111 /nfs/dbraw/zinc/16/51/11/584165111.db2.gz CEDLDNFUGVCLSS-WXLQGSQKSA-N 1 2 237.303 0.926 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000898894341 584165250 /nfs/dbraw/zinc/16/52/50/584165250.db2.gz JODFTLFSRFVKIU-VWYCJHECSA-N 1 2 249.314 0.616 20 0 BCADLO CC(C)(CNC(=O)c1cnccn1)n1cc[nH+]c1 ZINC000898893595 584165532 /nfs/dbraw/zinc/16/55/32/584165532.db2.gz NAYUEAWZVJAFCF-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@H]1c1nnc[nH]1)[NH+](C)C ZINC000899107940 584175410 /nfs/dbraw/zinc/17/54/10/584175410.db2.gz ARKXRFBSNPZKSN-IUCAKERBSA-N 1 2 237.307 0.418 20 0 BCADLO C[C@H]1NC(=S)N(Cc2cn(C)c[nH+]2)C1=O ZINC000899223719 584184078 /nfs/dbraw/zinc/18/40/78/584184078.db2.gz MTYWRVGAGRORBQ-ZCFIWIBFSA-N 1 2 224.289 0.025 20 0 BCADLO O=c1nc(N2CCCC[NH2+]2)cc(Cl)[nH]1 ZINC000858543694 588964229 /nfs/dbraw/zinc/96/42/29/588964229.db2.gz NOOFQTAENKQZMJ-UHFFFAOYSA-N 1 2 214.656 0.940 20 0 BCADLO Cc1[nH]c(C(=O)N[C@]23C[C@H]2COC3)c[nH+]1 ZINC000899248519 584187861 /nfs/dbraw/zinc/18/78/61/584187861.db2.gz BBYCMKGCBGDXOJ-XVKPBYJWSA-N 1 2 207.233 0.237 20 0 BCADLO Cn1c[nH+]cc1C[S@@](=O)CCOC1CC1 ZINC000899394328 584210054 /nfs/dbraw/zinc/21/00/54/584210054.db2.gz GLEJGTXUFWBHFK-HNNXBMFYSA-N 1 2 228.317 0.848 20 0 BCADLO CCCNC(=S)NCc1cn(C)c[nH+]1 ZINC000899669788 584223288 /nfs/dbraw/zinc/22/32/88/584223288.db2.gz BSGZWQWQSKUFOO-UHFFFAOYSA-N 1 2 212.322 0.794 20 0 BCADLO CCn1cc(C[N@@H+]2CCc3ncncc3C2)nn1 ZINC000899889220 584247496 /nfs/dbraw/zinc/24/74/96/584247496.db2.gz YJGAQOOCNPBENX-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCn1cc(C[N@H+]2CCc3ncncc3C2)nn1 ZINC000899889220 584247498 /nfs/dbraw/zinc/24/74/98/584247498.db2.gz YJGAQOOCNPBENX-UHFFFAOYSA-N 1 2 244.302 0.646 20 0 BCADLO CCC(C)(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000899904297 584250788 /nfs/dbraw/zinc/25/07/88/584250788.db2.gz IOJRCWLOKMPBJT-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC(F)(F)F ZINC000900100980 584270901 /nfs/dbraw/zinc/27/09/01/584270901.db2.gz OFQYXIXIEDSUGV-UHFFFAOYSA-N 1 2 207.155 0.631 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC(F)(F)F ZINC000900100980 584270902 /nfs/dbraw/zinc/27/09/02/584270902.db2.gz OFQYXIXIEDSUGV-UHFFFAOYSA-N 1 2 207.155 0.631 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000900107732 584276399 /nfs/dbraw/zinc/27/63/99/584276399.db2.gz VHJJTGBVRTZSJB-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H](CO)C1 ZINC000900145715 584277893 /nfs/dbraw/zinc/27/78/93/584277893.db2.gz CMZIHFXYRJPRIR-NSHDSACASA-N 1 2 249.314 0.724 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N[C@@H](C)CO ZINC000900151444 584278100 /nfs/dbraw/zinc/27/81/00/584278100.db2.gz SIKZESZDSIPJIR-QMMMGPOBSA-N 1 2 223.276 0.542 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NCCCO ZINC000900144845 584278122 /nfs/dbraw/zinc/27/81/22/584278122.db2.gz QHYCVYALKJYDNN-UHFFFAOYSA-N 1 2 223.276 0.544 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)N[C@@H](CC3CC3)C2=O)c1 ZINC000900156681 584283066 /nfs/dbraw/zinc/28/30/66/584283066.db2.gz AKKUBIYHZIOILA-JTQLQIEISA-N 1 2 248.286 0.641 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000900197116 584285136 /nfs/dbraw/zinc/28/51/36/584285136.db2.gz NIOBBRAPVAMGSD-DUMNWFOQSA-N 1 2 249.314 0.701 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000900215942 584286481 /nfs/dbraw/zinc/28/64/81/584286481.db2.gz QZYTXHUNABUGEH-OKWQPMOJSA-N 1 2 223.276 0.325 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCF ZINC000900208534 584286533 /nfs/dbraw/zinc/28/65/33/584286533.db2.gz KUXZBBDTTPVRDQ-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900333617 584294491 /nfs/dbraw/zinc/29/44/91/584294491.db2.gz NFCXSFHYVQTKBJ-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900333617 584294493 /nfs/dbraw/zinc/29/44/93/584294493.db2.gz NFCXSFHYVQTKBJ-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900390511 584300586 /nfs/dbraw/zinc/30/05/86/584300586.db2.gz GRKGTACYYMOORN-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900390511 584300588 /nfs/dbraw/zinc/30/05/88/584300588.db2.gz GRKGTACYYMOORN-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO C/C(Cl)=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000900485647 584316338 /nfs/dbraw/zinc/31/63/38/584316338.db2.gz RSMVTJLLCKBHTC-RNKPRXRFSA-N 1 2 246.738 0.966 20 0 BCADLO C/C(Cl)=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000900485647 584316339 /nfs/dbraw/zinc/31/63/39/584316339.db2.gz RSMVTJLLCKBHTC-RNKPRXRFSA-N 1 2 246.738 0.966 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900628972 584333762 /nfs/dbraw/zinc/33/37/62/584333762.db2.gz CZGIIQYZDHOWEJ-BDAKNGLRSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000900659235 584337071 /nfs/dbraw/zinc/33/70/71/584337071.db2.gz MGVLAQHBOZTHDY-ONGXEEELSA-N 1 2 237.303 0.978 20 0 BCADLO NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900673066 584339679 /nfs/dbraw/zinc/33/96/79/584339679.db2.gz WPIYCVJHPYIMHB-BDAKNGLRSA-N 1 2 244.254 0.394 20 0 BCADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000900698145 584342108 /nfs/dbraw/zinc/34/21/08/584342108.db2.gz JXIHKTBRBHSEOS-LLVKDONJSA-N 1 2 223.276 0.495 20 0 BCADLO C[C@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCOC1 ZINC000900698145 584342109 /nfs/dbraw/zinc/34/21/09/584342109.db2.gz JXIHKTBRBHSEOS-LLVKDONJSA-N 1 2 223.276 0.495 20 0 BCADLO COC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900699004 584342600 /nfs/dbraw/zinc/34/26/00/584342600.db2.gz OHUBNKYAQJKFSM-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO C/C=C/[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716248 584344287 /nfs/dbraw/zinc/34/42/87/584344287.db2.gz GLCGMRZXSOCBJE-PBKGFPTLSA-N 1 2 221.260 0.203 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716615 584344294 /nfs/dbraw/zinc/34/42/94/584344294.db2.gz HWTZJTYSEPXINY-QMAVJUDZSA-N 1 2 249.314 0.984 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900716617 584344601 /nfs/dbraw/zinc/34/46/01/584344601.db2.gz HWTZJTYSEPXINY-ZYOFXKKJSA-N 1 2 249.314 0.984 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC000900743286 584348183 /nfs/dbraw/zinc/34/81/83/584348183.db2.gz PIHVWDJPUGCTDD-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900779846 584350112 /nfs/dbraw/zinc/35/01/12/584350112.db2.gz GAPBMOJTCONOAQ-VXNVDRBHSA-N 1 2 211.265 0.433 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900779846 584350113 /nfs/dbraw/zinc/35/01/13/584350113.db2.gz GAPBMOJTCONOAQ-VXNVDRBHSA-N 1 2 211.265 0.433 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781521 584350556 /nfs/dbraw/zinc/35/05/56/584350556.db2.gz SGXUBFFGKMWOBR-UMCURTJPSA-N 1 2 223.276 0.743 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781521 584350557 /nfs/dbraw/zinc/35/05/57/584350557.db2.gz SGXUBFFGKMWOBR-UMCURTJPSA-N 1 2 223.276 0.743 20 0 BCADLO CCc1cc(CNC(=O)Cc2c[nH]c[nH+]2)on1 ZINC000900813091 584354062 /nfs/dbraw/zinc/35/40/62/584354062.db2.gz JALOJPIRKOKMLD-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO CCc1cc(CNC(=O)Cc2c[nH+]c[nH]2)on1 ZINC000900813091 584354065 /nfs/dbraw/zinc/35/40/65/584354065.db2.gz JALOJPIRKOKMLD-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900813425 584354543 /nfs/dbraw/zinc/35/45/43/584354543.db2.gz YZJVNKHTUNKJSO-IUEHSCGASA-N 1 2 239.363 0.703 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900813425 584354546 /nfs/dbraw/zinc/35/45/46/584354546.db2.gz YZJVNKHTUNKJSO-IUEHSCGASA-N 1 2 239.363 0.703 20 0 BCADLO CC(C)(O)CNC(=O)CNc1cccc[nH+]1 ZINC000900898598 584363890 /nfs/dbraw/zinc/36/38/90/584363890.db2.gz ASZIJHRHMHEWAI-UHFFFAOYSA-N 1 2 223.276 0.381 20 0 BCADLO C[C@@](O)(CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900900958 584364267 /nfs/dbraw/zinc/36/42/67/584364267.db2.gz NILNSBPYRIFBTL-CYBMUJFWSA-N 1 2 249.314 0.771 20 0 BCADLO C[C@@H](O)CC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900899635 584364569 /nfs/dbraw/zinc/36/45/69/584364569.db2.gz HHTIDVPKGMHLKT-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](O)CC(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900899635 584364571 /nfs/dbraw/zinc/36/45/71/584364571.db2.gz HHTIDVPKGMHLKT-SECBINFHSA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900974485 584369411 /nfs/dbraw/zinc/36/94/11/584369411.db2.gz DTKMHXGFSOGVJY-UHFFFAOYSA-N 1 2 237.259 0.116 20 0 BCADLO Cc1[nH]c(CNC(=O)Cc2ccon2)[nH+]c1C ZINC000900997871 584374756 /nfs/dbraw/zinc/37/47/56/584374756.db2.gz PEZJAFIPTSTUAI-UHFFFAOYSA-N 1 2 234.259 0.873 20 0 BCADLO Cc1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)nc[nH+]1 ZINC000858849417 588978650 /nfs/dbraw/zinc/97/86/50/588978650.db2.gz QHRXXHTXVUFNMJ-RKDXNWHRSA-N 1 2 219.244 0.394 20 0 BCADLO CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901062138 584380369 /nfs/dbraw/zinc/38/03/69/584380369.db2.gz QPHNFHHXYIJUKP-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901062138 584380371 /nfs/dbraw/zinc/38/03/71/584380371.db2.gz QPHNFHHXYIJUKP-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000901073650 584381636 /nfs/dbraw/zinc/38/16/36/584381636.db2.gz WNIOIRSBUGPSGK-JTQLQIEISA-N 1 2 237.303 0.627 20 0 BCADLO C[C@@](CO)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000901097428 584385333 /nfs/dbraw/zinc/38/53/33/584385333.db2.gz COQKMXYMAGEXOA-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@](CO)(NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901097428 584385335 /nfs/dbraw/zinc/38/53/35/584385335.db2.gz COQKMXYMAGEXOA-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCCF ZINC000901114784 584385722 /nfs/dbraw/zinc/38/57/22/584385722.db2.gz OMOXRLUNGOLEMU-UHFFFAOYSA-N 1 2 211.240 0.969 20 0 BCADLO CC(C)(CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901145343 584390771 /nfs/dbraw/zinc/39/07/71/584390771.db2.gz GPHOUUOKTXNPAX-UHFFFAOYSA-N 1 2 211.265 0.087 20 0 BCADLO CC(C)(CO)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901145343 584390773 /nfs/dbraw/zinc/39/07/73/584390773.db2.gz GPHOUUOKTXNPAX-UHFFFAOYSA-N 1 2 211.265 0.087 20 0 BCADLO O=C(CCF)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147814 584391300 /nfs/dbraw/zinc/39/13/00/584391300.db2.gz LCJHDIISCCRGML-SSDOTTSWSA-N 1 2 211.240 0.743 20 0 BCADLO O=C(CCF)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147814 584391301 /nfs/dbraw/zinc/39/13/01/584391301.db2.gz LCJHDIISCCRGML-SSDOTTSWSA-N 1 2 211.240 0.743 20 0 BCADLO C[C@H]1COCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901151776 584391596 /nfs/dbraw/zinc/39/15/96/584391596.db2.gz KMVIQFXXWYHQOW-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901191083 584392672 /nfs/dbraw/zinc/39/26/72/584392672.db2.gz ZFCFBHMMOREZIP-KOLCDFICSA-N 1 2 237.303 0.714 20 0 BCADLO CN(CC1(O)CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901186237 584393173 /nfs/dbraw/zinc/39/31/73/584393173.db2.gz LLTJBVVJZAVWNP-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000901174601 584395901 /nfs/dbraw/zinc/39/59/01/584395901.db2.gz BSIZJPIIQBHGSP-MNOVXSKESA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000901196749 584397861 /nfs/dbraw/zinc/39/78/61/584397861.db2.gz HLHWGFCQUSUKLF-VIFPVBQESA-N 1 2 223.276 0.333 20 0 BCADLO CCCCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000901212875 584400816 /nfs/dbraw/zinc/40/08/16/584400816.db2.gz GGBVYSLLMWDKEG-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000901239497 584406224 /nfs/dbraw/zinc/40/62/24/584406224.db2.gz DQJQCQUBIQYQLG-WPRPVWTQSA-N 1 2 223.276 0.182 20 0 BCADLO CC[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1O ZINC000901240549 584406871 /nfs/dbraw/zinc/40/68/71/584406871.db2.gz JCVZWFCKCHCCMY-QWRGUYRKSA-N 1 2 249.314 0.723 20 0 BCADLO CC(C)(CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901244156 584407384 /nfs/dbraw/zinc/40/73/84/584407384.db2.gz PQHOCCFOIKOMEE-UHFFFAOYSA-N 1 2 211.265 0.229 20 0 BCADLO CC(C)(CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901244156 584407386 /nfs/dbraw/zinc/40/73/86/584407386.db2.gz PQHOCCFOIKOMEE-UHFFFAOYSA-N 1 2 211.265 0.229 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901277235 584413513 /nfs/dbraw/zinc/41/35/13/584413513.db2.gz FKRPVTGOQLQGMV-SSDOTTSWSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901277235 584413514 /nfs/dbraw/zinc/41/35/14/584413514.db2.gz FKRPVTGOQLQGMV-SSDOTTSWSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901338580 584427147 /nfs/dbraw/zinc/42/71/47/584427147.db2.gz XAGLRSXSMIEZGS-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901344947 584434353 /nfs/dbraw/zinc/43/43/53/584434353.db2.gz AUTXJWIONLJYJX-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901344947 584434354 /nfs/dbraw/zinc/43/43/54/584434354.db2.gz AUTXJWIONLJYJX-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)C(=O)OC ZINC000901563189 584463512 /nfs/dbraw/zinc/46/35/12/584463512.db2.gz OEMPQMHLKSTXLM-NSHDSACASA-N 1 2 239.319 0.812 20 0 BCADLO Cn1cncc1-c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000901987330 584510216 /nfs/dbraw/zinc/51/02/16/584510216.db2.gz PAOLHKZWOCWPLS-UHFFFAOYSA-N 1 2 244.258 0.978 20 0 BCADLO Cn1cncc1-c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000901987330 584510218 /nfs/dbraw/zinc/51/02/18/584510218.db2.gz PAOLHKZWOCWPLS-UHFFFAOYSA-N 1 2 244.258 0.978 20 0 BCADLO Cn1cccc1C[N@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902186765 584533709 /nfs/dbraw/zinc/53/37/09/584533709.db2.gz XTMPZNBRGXHWHW-JQWIXIFHSA-N 1 2 233.315 0.893 20 0 BCADLO Cn1cccc1C[N@@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902186765 584533710 /nfs/dbraw/zinc/53/37/10/584533710.db2.gz XTMPZNBRGXHWHW-JQWIXIFHSA-N 1 2 233.315 0.893 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902212217 584535327 /nfs/dbraw/zinc/53/53/27/584535327.db2.gz BANUHTPFHITJIV-SRVKXCTJSA-N 1 2 238.331 0.779 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902212217 584535329 /nfs/dbraw/zinc/53/53/29/584535329.db2.gz BANUHTPFHITJIV-SRVKXCTJSA-N 1 2 238.331 0.779 20 0 BCADLO CN(C)c1ccc(Cn2cccnc2=O)c[nH+]1 ZINC000902217705 584539878 /nfs/dbraw/zinc/53/98/78/584539878.db2.gz GWMGXEOGYWSKGZ-UHFFFAOYSA-N 1 2 230.271 0.753 20 0 BCADLO O=C(OCCF)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000859029166 588992185 /nfs/dbraw/zinc/99/21/85/588992185.db2.gz AFAOJOPHVAYYCS-SNVBAGLBSA-N 1 2 246.282 0.499 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)[C@H](C)[C@@H](C)O1 ZINC000902236494 584543042 /nfs/dbraw/zinc/54/30/42/584543042.db2.gz ZBJYFZGEXXJKRO-OPRDCNLKSA-N 1 2 228.292 0.894 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)[C@H](C)[C@@H](C)O1 ZINC000902236494 584543043 /nfs/dbraw/zinc/54/30/43/584543043.db2.gz ZBJYFZGEXXJKRO-OPRDCNLKSA-N 1 2 228.292 0.894 20 0 BCADLO Cc1c(C[N@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cnn1C ZINC000902243957 584546243 /nfs/dbraw/zinc/54/62/43/584546243.db2.gz SMIVABYZELAMLF-JQWIXIFHSA-N 1 2 248.330 0.596 20 0 BCADLO Cc1c(C[N@@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cnn1C ZINC000902243957 584546245 /nfs/dbraw/zinc/54/62/45/584546245.db2.gz SMIVABYZELAMLF-JQWIXIFHSA-N 1 2 248.330 0.596 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000902286019 584547568 /nfs/dbraw/zinc/54/75/68/584547568.db2.gz MHYUGJIMOWZLJU-LAEOZQHASA-N 1 2 246.257 0.124 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000902286019 584547571 /nfs/dbraw/zinc/54/75/71/584547571.db2.gz MHYUGJIMOWZLJU-LAEOZQHASA-N 1 2 246.257 0.124 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000902286018 584547612 /nfs/dbraw/zinc/54/76/12/584547612.db2.gz MHYUGJIMOWZLJU-DKCNOQQISA-N 1 2 246.257 0.124 20 0 BCADLO O=C1[C@H]2C[C@H]2CN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000902286018 584547615 /nfs/dbraw/zinc/54/76/15/584547615.db2.gz MHYUGJIMOWZLJU-DKCNOQQISA-N 1 2 246.257 0.124 20 0 BCADLO CN(C)c1ccc(Cn2cnn(C)c2=O)c[nH+]1 ZINC000902319233 584551554 /nfs/dbraw/zinc/55/15/54/584551554.db2.gz WJNBACOCXBXNNQ-UHFFFAOYSA-N 1 2 233.275 0.091 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCOC2=O)[C@H](C)CO1 ZINC000902301428 584553490 /nfs/dbraw/zinc/55/34/90/584553490.db2.gz CZBISJAKVHSLLP-ZJUUUORDSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCOC2=O)[C@H](C)CO1 ZINC000902301428 584553491 /nfs/dbraw/zinc/55/34/91/584553491.db2.gz CZBISJAKVHSLLP-ZJUUUORDSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902302426 584553961 /nfs/dbraw/zinc/55/39/61/584553961.db2.gz OXEHAHRTMAWBQL-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)CO1 ZINC000902302426 584553962 /nfs/dbraw/zinc/55/39/62/584553962.db2.gz OXEHAHRTMAWBQL-KXNHARMFSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](CN2CCOC2=O)CCO1 ZINC000902310496 584555090 /nfs/dbraw/zinc/55/50/90/584555090.db2.gz DDUHIURMIYVKGM-GFCCVEGCSA-N 1 2 240.303 0.897 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902310496 584555092 /nfs/dbraw/zinc/55/50/92/584555092.db2.gz DDUHIURMIYVKGM-GFCCVEGCSA-N 1 2 240.303 0.897 20 0 BCADLO CCc1ncn(Cc2ccc(N)[nH+]c2)n1 ZINC000902408024 584574628 /nfs/dbraw/zinc/57/46/28/584574628.db2.gz CORLZJKJEHKQCW-UHFFFAOYSA-N 1 2 203.249 0.866 20 0 BCADLO c1nncn1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000902536654 584627935 /nfs/dbraw/zinc/62/79/35/584627935.db2.gz KGNHOSTYJSIIDO-LLVKDONJSA-N 1 2 222.292 0.737 20 0 BCADLO c1nncn1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000902536654 584627937 /nfs/dbraw/zinc/62/79/37/584627937.db2.gz KGNHOSTYJSIIDO-LLVKDONJSA-N 1 2 222.292 0.737 20 0 BCADLO CNC(=O)CO[NH+]=C(N)Cc1ccccc1F ZINC000902622832 584645043 /nfs/dbraw/zinc/64/50/43/584645043.db2.gz JJCWDXRRIGAAFI-UHFFFAOYSA-N 1 2 239.250 0.613 20 0 BCADLO O=c1oc2ccccc2n1C[N@H+]1CC[C@@H]1CO ZINC000902630304 584646199 /nfs/dbraw/zinc/64/61/99/584646199.db2.gz OMEIUUFMDHIKMD-SECBINFHSA-N 1 2 234.255 0.619 20 0 BCADLO O=c1oc2ccccc2n1C[N@@H+]1CC[C@@H]1CO ZINC000902630304 584646201 /nfs/dbraw/zinc/64/62/01/584646201.db2.gz OMEIUUFMDHIKMD-SECBINFHSA-N 1 2 234.255 0.619 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000902626686 584646464 /nfs/dbraw/zinc/64/64/64/584646464.db2.gz KQGIADJWJKEJHN-WDEREUQCSA-N 1 2 240.303 0.056 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000902626686 584646465 /nfs/dbraw/zinc/64/64/65/584646465.db2.gz KQGIADJWJKEJHN-WDEREUQCSA-N 1 2 240.303 0.056 20 0 BCADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631303 584646730 /nfs/dbraw/zinc/64/67/30/584646730.db2.gz GRJSCBNITDVGGL-RYUDHWBXSA-N 1 2 240.347 0.905 20 0 BCADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631303 584646733 /nfs/dbraw/zinc/64/67/33/584646733.db2.gz GRJSCBNITDVGGL-RYUDHWBXSA-N 1 2 240.347 0.905 20 0 BCADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631261 584646933 /nfs/dbraw/zinc/64/69/33/584646933.db2.gz GLVUDJBWUJGJSZ-GHMZBOCLSA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631261 584646934 /nfs/dbraw/zinc/64/69/34/584646934.db2.gz GLVUDJBWUJGJSZ-GHMZBOCLSA-N 1 2 226.320 0.659 20 0 BCADLO CC1(C)CN(C[N@@H+]2CC[C@H]2CO)C(=O)O1 ZINC000902632438 584647360 /nfs/dbraw/zinc/64/73/60/584647360.db2.gz NCSYKWIEHGCHNT-QMMMGPOBSA-N 1 2 214.265 0.241 20 0 BCADLO CC1(C)CN(C[N@H+]2CC[C@H]2CO)C(=O)O1 ZINC000902632438 584647362 /nfs/dbraw/zinc/64/73/62/584647362.db2.gz NCSYKWIEHGCHNT-QMMMGPOBSA-N 1 2 214.265 0.241 20 0 BCADLO CCc1noc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000902654842 584649852 /nfs/dbraw/zinc/64/98/52/584649852.db2.gz KIDWBOLSXNZFBT-UHFFFAOYSA-N 1 2 221.220 0.285 20 0 BCADLO COCC(COC)O[NH+]=C(N)COC(C)C ZINC000902702746 584658970 /nfs/dbraw/zinc/65/89/70/584658970.db2.gz YWORPOZVEBSIEP-UHFFFAOYSA-N 1 2 234.296 0.571 20 0 BCADLO Cc1cn(C)nc1CO[NH+]=C(N)CCO ZINC000902728803 584661805 /nfs/dbraw/zinc/66/18/05/584661805.db2.gz ABVFVUKHDTXKBN-UHFFFAOYSA-N 1 2 212.253 0.109 20 0 BCADLO COCC(COC)O[NH+]=C(N)[C@H]1CCCO1 ZINC000902737712 584662762 /nfs/dbraw/zinc/66/27/62/584662762.db2.gz BQTLICDOQYPMMF-SECBINFHSA-N 1 2 232.280 0.325 20 0 BCADLO NC(CO)=[NH+]OCCOC1CCSCC1 ZINC000902763828 584663762 /nfs/dbraw/zinc/66/37/62/584663762.db2.gz JXSRKAZIJKKOAB-UHFFFAOYSA-N 1 2 234.321 0.389 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000859072691 588997184 /nfs/dbraw/zinc/99/71/84/588997184.db2.gz PARNYIIYAIOUEL-VHSXEESVSA-N 1 2 230.308 0.842 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000859072691 588997185 /nfs/dbraw/zinc/99/71/85/588997185.db2.gz PARNYIIYAIOUEL-VHSXEESVSA-N 1 2 230.308 0.842 20 0 BCADLO CCNC(=O)NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902771962 584667644 /nfs/dbraw/zinc/66/76/44/584667644.db2.gz DLGPFEBXQPDUIF-AOOOYVTPSA-N 1 2 243.307 0.100 20 0 BCADLO CCNC(=O)NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902771962 584667645 /nfs/dbraw/zinc/66/76/45/584667645.db2.gz DLGPFEBXQPDUIF-AOOOYVTPSA-N 1 2 243.307 0.100 20 0 BCADLO CCNC(=O)NOCc1c[nH+]ccc1OC ZINC000902773022 584668694 /nfs/dbraw/zinc/66/86/94/584668694.db2.gz YNWWYZFNQULZDV-UHFFFAOYSA-N 1 2 225.248 0.841 20 0 BCADLO O=C(CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000902783338 584670963 /nfs/dbraw/zinc/67/09/63/584670963.db2.gz PMCRZJAJHJZHHY-UHFFFAOYSA-N 1 2 238.287 0.306 20 0 BCADLO Cc1ccn2cc(CNC(=O)CCO)[nH+]c2c1 ZINC000902816756 584678172 /nfs/dbraw/zinc/67/81/72/584678172.db2.gz QFQMCSGDBBUAJP-UHFFFAOYSA-N 1 2 233.271 0.641 20 0 BCADLO O=C(CCO)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000902929595 584698197 /nfs/dbraw/zinc/69/81/97/584698197.db2.gz AZDZSOMHPXOYGB-LLVKDONJSA-N 1 2 236.271 0.444 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC000902932945 584699385 /nfs/dbraw/zinc/69/93/85/584699385.db2.gz GZJIAQOFPJLGKM-SSDOTTSWSA-N 1 2 211.290 0.577 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC000902932945 584699386 /nfs/dbraw/zinc/69/93/86/584699386.db2.gz GZJIAQOFPJLGKM-SSDOTTSWSA-N 1 2 211.290 0.577 20 0 BCADLO C[C@@H](NC(=O)OC1COC1)c1[nH+]ccn1C ZINC000902954574 584704915 /nfs/dbraw/zinc/70/49/15/584704915.db2.gz CQOXDYOBQFOXDI-SSDOTTSWSA-N 1 2 225.248 0.606 20 0 BCADLO C[C@H](NC(=O)OC1COC1)c1[nH+]ccn1C ZINC000902954575 584705096 /nfs/dbraw/zinc/70/50/96/584705096.db2.gz CQOXDYOBQFOXDI-ZETCQYMHSA-N 1 2 225.248 0.606 20 0 BCADLO C[C@@H](C[N@@H+]1CCC[C@H](F)C1)S(C)(=O)=O ZINC000902992309 584711150 /nfs/dbraw/zinc/71/11/50/584711150.db2.gz JOMHUWTVFHKLOJ-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](C[N@H+]1CCC[C@H](F)C1)S(C)(=O)=O ZINC000902992309 584711152 /nfs/dbraw/zinc/71/11/52/584711152.db2.gz JOMHUWTVFHKLOJ-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO O=C1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C(=O)N1 ZINC000902994794 584712574 /nfs/dbraw/zinc/71/25/74/584712574.db2.gz IQRTWRYJYONCQY-SFYZADRCSA-N 1 2 214.240 0.226 20 0 BCADLO O=C1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C(=O)N1 ZINC000902994794 584712575 /nfs/dbraw/zinc/71/25/75/584712575.db2.gz IQRTWRYJYONCQY-SFYZADRCSA-N 1 2 214.240 0.226 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@H](F)C1 ZINC000902998906 584714893 /nfs/dbraw/zinc/71/48/93/584714893.db2.gz RTODYGHWWSECPV-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCC[C@H](F)C1 ZINC000902998906 584714894 /nfs/dbraw/zinc/71/48/94/584714894.db2.gz RTODYGHWWSECPV-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001177 584715342 /nfs/dbraw/zinc/71/53/42/584715342.db2.gz MBFQAASYGIAJFP-DTWKUNHWSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001177 584715343 /nfs/dbraw/zinc/71/53/43/584715343.db2.gz MBFQAASYGIAJFP-DTWKUNHWSA-N 1 2 245.298 0.655 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001591 584715635 /nfs/dbraw/zinc/71/56/35/584715635.db2.gz POZXJPJDZWAELZ-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001591 584715636 /nfs/dbraw/zinc/71/56/36/584715636.db2.gz POZXJPJDZWAELZ-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002248 584716344 /nfs/dbraw/zinc/71/63/44/584716344.db2.gz ZAYWXWNYGDDYSK-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002248 584716346 /nfs/dbraw/zinc/71/63/46/584716346.db2.gz ZAYWXWNYGDDYSK-SECBINFHSA-N 1 2 202.273 0.899 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2nc(C3CC3)no2)c1 ZINC000903036607 584719665 /nfs/dbraw/zinc/71/96/65/584719665.db2.gz MFMUFOSBKFEBOQ-UHFFFAOYSA-N 1 2 247.258 0.611 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027185 584722004 /nfs/dbraw/zinc/72/20/04/584722004.db2.gz OXZAGZJFFIACEW-VHSXEESVSA-N 1 2 248.286 0.278 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027185 584722005 /nfs/dbraw/zinc/72/20/05/584722005.db2.gz OXZAGZJFFIACEW-VHSXEESVSA-N 1 2 248.286 0.278 20 0 BCADLO Cc1nonc1[C@@H](C)NCc1cn(C)c[nH+]1 ZINC000903352111 584755198 /nfs/dbraw/zinc/75/51/98/584755198.db2.gz QYRRZZJUBBOHPU-SSDOTTSWSA-N 1 2 221.264 0.962 20 0 BCADLO CC1(C)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557321 584783003 /nfs/dbraw/zinc/78/30/03/584783003.db2.gz NORLXDQPGZVJNM-WDEREUQCSA-N 1 2 239.363 0.177 20 0 BCADLO COC(=O)C[N@H+](CCc1cn(C)nn1)C(C)C ZINC000859174122 589013934 /nfs/dbraw/zinc/01/39/34/589013934.db2.gz SGZHWDGUUDZWED-UHFFFAOYSA-N 1 2 240.307 0.241 20 0 BCADLO COC(=O)C[N@@H+](CCc1cn(C)nn1)C(C)C ZINC000859174122 589013935 /nfs/dbraw/zinc/01/39/35/589013935.db2.gz SGZHWDGUUDZWED-UHFFFAOYSA-N 1 2 240.307 0.241 20 0 BCADLO COCc1ccc(C[NH2+][C@H]2CNOC2)o1 ZINC000904423730 584880419 /nfs/dbraw/zinc/88/04/19/584880419.db2.gz GIKPSTFAAMRPLM-QMMMGPOBSA-N 1 2 212.249 0.419 20 0 BCADLO c1nn(-c2ccccc2)nc1C[NH2+][C@@H]1CNOC1 ZINC000904421426 584882277 /nfs/dbraw/zinc/88/22/77/584882277.db2.gz CNCJKMNAHWPVKW-LLVKDONJSA-N 1 2 245.286 0.260 20 0 BCADLO CCONC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875504942 584884399 /nfs/dbraw/zinc/88/43/99/584884399.db2.gz JIDKUVDBDCETHG-SSDOTTSWSA-N 1 2 210.237 0.059 20 0 BCADLO Cc1nn(C)cc1C[NH+]1CC(O)(C(C)C)C1 ZINC000829290450 584906774 /nfs/dbraw/zinc/90/67/74/584906774.db2.gz AFQKCJXHKODFQY-UHFFFAOYSA-N 1 2 223.320 0.931 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC=C[C@H]2CO)c1 ZINC000829471801 584907580 /nfs/dbraw/zinc/90/75/80/584907580.db2.gz SZQJBRQCFXJWIX-ZWNMCFTASA-N 1 2 233.271 0.193 20 0 BCADLO COC1(C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000830832682 584908650 /nfs/dbraw/zinc/90/86/50/584908650.db2.gz NWFGXBIPXUXJBW-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO Cn1ncc2c1nc(C=Cc1[nH]cc[nH+]1)[nH]c2=O ZINC000731159933 584923092 /nfs/dbraw/zinc/92/30/92/584923092.db2.gz YWOYROYDOPJOIR-NSCUHMNNSA-N 1 2 242.242 0.962 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@]12CCOC2 ZINC000764648600 584928039 /nfs/dbraw/zinc/92/80/39/584928039.db2.gz ZZSPUTPZTZIXQN-ZYHUDNBSSA-N 1 2 236.271 0.853 20 0 BCADLO CCC/C=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732149888 584934175 /nfs/dbraw/zinc/93/41/75/584934175.db2.gz SWYAFQMQORGHJE-NNNHXZLVSA-N 1 2 239.363 0.705 20 0 BCADLO CCC/C=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732149888 584934176 /nfs/dbraw/zinc/93/41/76/584934176.db2.gz SWYAFQMQORGHJE-NNNHXZLVSA-N 1 2 239.363 0.705 20 0 BCADLO CCc1nc(NCCNC(=O)OC)cc[nH+]1 ZINC000884524425 584956502 /nfs/dbraw/zinc/95/65/02/584956502.db2.gz XRHCFYXIKFRASZ-UHFFFAOYSA-N 1 2 224.264 0.807 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000885083421 584966188 /nfs/dbraw/zinc/96/61/88/584966188.db2.gz NVKYJVCTUUDLKP-SNVBAGLBSA-N 1 2 249.314 0.933 20 0 BCADLO CCNC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735990310 584986298 /nfs/dbraw/zinc/98/62/98/584986298.db2.gz VWDUVFQZVPLSFI-UHFFFAOYSA-N 1 2 225.321 0.904 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCc1cn(C)nn1 ZINC000859191115 589017206 /nfs/dbraw/zinc/01/72/06/589017206.db2.gz WFKTYMFHZHYIER-UHFFFAOYSA-N 1 2 240.307 0.241 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCc1cn(C)nn1 ZINC000859191115 589017207 /nfs/dbraw/zinc/01/72/07/589017207.db2.gz WFKTYMFHZHYIER-UHFFFAOYSA-N 1 2 240.307 0.241 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000755923479 585002786 /nfs/dbraw/zinc/00/27/86/585002786.db2.gz RGSUFALMCREANO-LLVKDONJSA-N 1 2 226.320 0.925 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000755923479 585002787 /nfs/dbraw/zinc/00/27/87/585002787.db2.gz RGSUFALMCREANO-LLVKDONJSA-N 1 2 226.320 0.925 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409803 585003336 /nfs/dbraw/zinc/00/33/36/585003336.db2.gz YETSVPBOGAORQD-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409803 585003337 /nfs/dbraw/zinc/00/33/37/585003337.db2.gz YETSVPBOGAORQD-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)[O-] ZINC000736662893 585008652 /nfs/dbraw/zinc/00/86/52/585008652.db2.gz UOMKHMDAFLGVJQ-RKDXNWHRSA-N 1 2 223.276 0.823 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356208447 585023292 /nfs/dbraw/zinc/02/32/92/585023292.db2.gz CNMOTOXLQXYQFI-QUCGXOGASA-N 1 2 237.303 0.786 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356208447 585023293 /nfs/dbraw/zinc/02/32/93/585023293.db2.gz CNMOTOXLQXYQFI-QUCGXOGASA-N 1 2 237.303 0.786 20 0 BCADLO COCn1ccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890104567 585023546 /nfs/dbraw/zinc/02/35/46/585023546.db2.gz MOPPFPZMYQTPAX-UHFFFAOYSA-N 1 2 249.274 0.151 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@@](C)(O)C2CC2)c1 ZINC000890109061 585023801 /nfs/dbraw/zinc/02/38/01/585023801.db2.gz AEQUWTTVAVJGKP-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)cc(=O)[nH]1 ZINC000890110068 585023924 /nfs/dbraw/zinc/02/39/24/585023924.db2.gz WJCUEJIQLYVAKH-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890110791 585023946 /nfs/dbraw/zinc/02/39/46/585023946.db2.gz VHHSKXYCVTWLPL-NSHDSACASA-N 1 2 225.292 0.587 20 0 BCADLO COC/C=C\C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000866981735 585046995 /nfs/dbraw/zinc/04/69/95/585046995.db2.gz LYHDTLUXTBDBGB-DLRQAJBASA-N 1 2 249.314 0.939 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000866988904 585063841 /nfs/dbraw/zinc/06/38/41/585063841.db2.gz ZWMFOTUOEHJSOE-VXNVDRBHSA-N 1 2 241.316 0.407 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@@H](C)C(=O)OC)n1 ZINC000838800163 585069255 /nfs/dbraw/zinc/06/92/55/585069255.db2.gz RBJYXHDLAFKIQM-SECBINFHSA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@@H](C)C(=O)OC)n1 ZINC000838800163 585069256 /nfs/dbraw/zinc/06/92/56/585069256.db2.gz RBJYXHDLAFKIQM-SECBINFHSA-N 1 2 240.307 0.539 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(=O)N1CCCC1 ZINC000838808535 585070644 /nfs/dbraw/zinc/07/06/44/585070644.db2.gz DMRAQFDGYJOSOE-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(=O)N1CCCC1 ZINC000838808535 585070645 /nfs/dbraw/zinc/07/06/45/585070645.db2.gz DMRAQFDGYJOSOE-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO O=C1C[N@H+](CCn2cc(Cl)cn2)CCCN1 ZINC000838814996 585071473 /nfs/dbraw/zinc/07/14/73/585071473.db2.gz FVAMCWNKTJSMPM-UHFFFAOYSA-N 1 2 242.710 0.358 20 0 BCADLO O=C1C[N@@H+](CCn2cc(Cl)cn2)CCCN1 ZINC000838814996 585071474 /nfs/dbraw/zinc/07/14/74/585071474.db2.gz FVAMCWNKTJSMPM-UHFFFAOYSA-N 1 2 242.710 0.358 20 0 BCADLO CCn1ncc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000839011171 585086840 /nfs/dbraw/zinc/08/68/40/585086840.db2.gz HHNFTVHWUCBWNJ-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000839011171 585086841 /nfs/dbraw/zinc/08/68/41/585086841.db2.gz HHNFTVHWUCBWNJ-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO C[C@@]1([NH2+]CCn2cc(Cl)cn2)CCOC1=O ZINC000839021851 585087629 /nfs/dbraw/zinc/08/76/29/585087629.db2.gz RBZWAPVSNCDXNN-SNVBAGLBSA-N 1 2 243.694 0.832 20 0 BCADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000839027697 585088175 /nfs/dbraw/zinc/08/81/75/585088175.db2.gz OWIPWAYYZSSPSB-CBAPKCEASA-N 1 2 223.263 0.705 20 0 BCADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000839027697 585088176 /nfs/dbraw/zinc/08/81/76/585088176.db2.gz OWIPWAYYZSSPSB-CBAPKCEASA-N 1 2 223.263 0.705 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H]2COC)n1 ZINC000839113663 585091847 /nfs/dbraw/zinc/09/18/47/585091847.db2.gz AEMLOMWBRSTRLA-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H]2COC)n1 ZINC000839113663 585091848 /nfs/dbraw/zinc/09/18/48/585091848.db2.gz AEMLOMWBRSTRLA-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194611 585097650 /nfs/dbraw/zinc/09/76/50/585097650.db2.gz SFMACYOCZYNHQA-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194611 585097651 /nfs/dbraw/zinc/09/76/51/585097651.db2.gz SFMACYOCZYNHQA-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)OC[C@@H]1CCCO1 ZINC000867012075 585103677 /nfs/dbraw/zinc/10/36/77/585103677.db2.gz ABFIAKMAAMTWIE-QMMMGPOBSA-N 1 2 225.248 0.815 20 0 BCADLO CC(C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741141931 585110354 /nfs/dbraw/zinc/11/03/54/585110354.db2.gz NCMBEHLTHRXFJF-INIZCTEOSA-N 1 2 246.376 0.165 20 0 BCADLO Cn1c[nH+]cc1CNc1n[nH]c2c1COCC2 ZINC000886207632 585112531 /nfs/dbraw/zinc/11/25/31/585112531.db2.gz HWZDGNJOZZVGTL-UHFFFAOYSA-N 1 2 233.275 0.828 20 0 BCADLO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccn[nH]1 ZINC000886229132 585115896 /nfs/dbraw/zinc/11/58/96/585115896.db2.gz LOKVMZIFUCYPAN-QWRGUYRKSA-N 1 2 225.292 0.429 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCO)CCOC ZINC000741797290 585119540 /nfs/dbraw/zinc/11/95/40/585119540.db2.gz QZSOWELFJFMPRT-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCO)CCOC ZINC000741797290 585119541 /nfs/dbraw/zinc/11/95/41/585119541.db2.gz QZSOWELFJFMPRT-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ncccn1 ZINC000743315728 585134969 /nfs/dbraw/zinc/13/49/69/585134969.db2.gz AHVTUFWPQGEKEE-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO CCN(C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079968 585156019 /nfs/dbraw/zinc/15/60/19/585156019.db2.gz OCLBNUVTBNHKRH-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079968 585156020 /nfs/dbraw/zinc/15/60/20/585156020.db2.gz OCLBNUVTBNHKRH-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082353 585156196 /nfs/dbraw/zinc/15/61/96/585156196.db2.gz NXSDRTPAJORWGS-UWVGGRQHSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082353 585156197 /nfs/dbraw/zinc/15/61/97/585156197.db2.gz NXSDRTPAJORWGS-UWVGGRQHSA-N 1 2 243.303 0.966 20 0 BCADLO Cc1noc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000745083479 585156752 /nfs/dbraw/zinc/15/67/52/585156752.db2.gz WNEUZHKVKCSDDS-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1noc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000745083479 585156753 /nfs/dbraw/zinc/15/67/53/585156753.db2.gz WNEUZHKVKCSDDS-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO CC1(OCC(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000746173619 585164354 /nfs/dbraw/zinc/16/43/54/585164354.db2.gz GDMSEUVGQDJCEN-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnccc1C ZINC000746451038 585168002 /nfs/dbraw/zinc/16/80/02/585168002.db2.gz SSAQQKUUCKVQEJ-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnccc1C ZINC000746451038 585168003 /nfs/dbraw/zinc/16/80/03/585168003.db2.gz SSAQQKUUCKVQEJ-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO COCCCNC(=O)C[N@H+](C)CCF ZINC000746502254 585168214 /nfs/dbraw/zinc/16/82/14/585168214.db2.gz FJNXEPPTOYCBHF-UHFFFAOYSA-N 1 2 206.261 0.040 20 0 BCADLO COCCCNC(=O)C[N@@H+](C)CCF ZINC000746502254 585168215 /nfs/dbraw/zinc/16/82/15/585168215.db2.gz FJNXEPPTOYCBHF-UHFFFAOYSA-N 1 2 206.261 0.040 20 0 BCADLO CCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470000 585168574 /nfs/dbraw/zinc/16/85/74/585168574.db2.gz PKLODSNIDRYUNP-AWEZNQCLSA-N 1 2 218.366 0.393 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1c(C)noc1C ZINC000746498889 585168807 /nfs/dbraw/zinc/16/88/07/585168807.db2.gz BRBOUUKIQISLAK-UHFFFAOYSA-N 1 2 241.291 0.743 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1c(C)noc1C ZINC000746498889 585168808 /nfs/dbraw/zinc/16/88/08/585168808.db2.gz BRBOUUKIQISLAK-UHFFFAOYSA-N 1 2 241.291 0.743 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOCc1cccnc1 ZINC000747175168 585176323 /nfs/dbraw/zinc/17/63/23/585176323.db2.gz YVTGHKUHNBKZSO-UHFFFAOYSA-N 1 2 246.270 0.916 20 0 BCADLO CSC[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747701507 585182548 /nfs/dbraw/zinc/18/25/48/585182548.db2.gz OIYCDVLMHUZYKC-JTQLQIEISA-N 1 2 247.360 0.861 20 0 BCADLO Cn1c[nH+]cc1COC(=O)COCC1CC1 ZINC000747782315 585184437 /nfs/dbraw/zinc/18/44/37/585184437.db2.gz HOZILZVOAQHPOK-UHFFFAOYSA-N 1 2 224.260 0.890 20 0 BCADLO CC(C)OCC(N)=[NH+]OCc1ncnn1C ZINC000748097255 585187073 /nfs/dbraw/zinc/18/70/73/585187073.db2.gz HYRHWZXYDFCHSA-UHFFFAOYSA-N 1 2 227.268 0.239 20 0 BCADLO C[C@H]1CN(C(=O)c2cocn2)CC[N@@H+]1C ZINC000748348785 585191087 /nfs/dbraw/zinc/19/10/87/585191087.db2.gz HVOGZEXFVZCOLS-QMMMGPOBSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1CN(C(=O)c2cocn2)CC[N@H+]1C ZINC000748348785 585191088 /nfs/dbraw/zinc/19/10/88/585191088.db2.gz HVOGZEXFVZCOLS-QMMMGPOBSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1nonc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748355274 585191675 /nfs/dbraw/zinc/19/16/75/585191675.db2.gz RBHJTTBFCAGYLB-SSDOTTSWSA-N 1 2 224.264 0.154 20 0 BCADLO Cc1nonc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748355274 585191676 /nfs/dbraw/zinc/19/16/76/585191676.db2.gz RBHJTTBFCAGYLB-SSDOTTSWSA-N 1 2 224.264 0.154 20 0 BCADLO C[C@H]1CN(C(=O)c2cnsn2)CC[N@@H+]1C ZINC000748352635 585191845 /nfs/dbraw/zinc/19/18/45/585191845.db2.gz LREHUBYUBWOYTG-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@H]1CN(C(=O)c2cnsn2)CC[N@H+]1C ZINC000748352635 585191846 /nfs/dbraw/zinc/19/18/46/585191846.db2.gz LREHUBYUBWOYTG-ZETCQYMHSA-N 1 2 226.305 0.314 20 0 BCADLO Cc1[nH+]ccn1CCCC(=O)NCc1c[nH]nn1 ZINC000748418063 585192682 /nfs/dbraw/zinc/19/26/82/585192682.db2.gz MZRNUUKUJBGEKB-UHFFFAOYSA-N 1 2 248.290 0.406 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(F)F)C1 ZINC000748456354 585193015 /nfs/dbraw/zinc/19/30/15/585193015.db2.gz AEENZFLBFFFNFS-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(F)F)C1 ZINC000748456354 585193016 /nfs/dbraw/zinc/19/30/16/585193016.db2.gz AEENZFLBFFFNFS-SSDOTTSWSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)Cc1cc[nH]n1 ZINC000748818636 585196617 /nfs/dbraw/zinc/19/66/17/585196617.db2.gz VPOHCTOFDHGXJS-WEVVVXLNSA-N 1 2 223.276 0.961 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1cc[nH]n1 ZINC000748818636 585196618 /nfs/dbraw/zinc/19/66/18/585196618.db2.gz VPOHCTOFDHGXJS-WEVVVXLNSA-N 1 2 223.276 0.961 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000748816970 585196657 /nfs/dbraw/zinc/19/66/57/585196657.db2.gz XEJDEGHBWTVCAZ-OLKPEBQYSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000748816970 585196658 /nfs/dbraw/zinc/19/66/58/585196658.db2.gz XEJDEGHBWTVCAZ-OLKPEBQYSA-N 1 2 241.287 0.743 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000749576627 585203919 /nfs/dbraw/zinc/20/39/19/585203919.db2.gz LDARRGXMJNWPKH-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO CC[N@H+](CCOC)CCS(=O)(=O)C(C)C ZINC000749797039 585206029 /nfs/dbraw/zinc/20/60/29/585206029.db2.gz OOWYVTQZLUQCSL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CC[N@@H+](CCOC)CCS(=O)(=O)C(C)C ZINC000749797039 585206030 /nfs/dbraw/zinc/20/60/30/585206030.db2.gz OOWYVTQZLUQCSL-UHFFFAOYSA-N 1 2 237.365 0.778 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000750214795 585212142 /nfs/dbraw/zinc/21/21/42/585212142.db2.gz DZKARRCELOWWFR-DLRBJTRDSA-N 1 2 238.740 0.362 20 0 BCADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000750214795 585212143 /nfs/dbraw/zinc/21/21/43/585212143.db2.gz DZKARRCELOWWFR-DLRBJTRDSA-N 1 2 238.740 0.362 20 0 BCADLO CON(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000750659974 585217948 /nfs/dbraw/zinc/21/79/48/585217948.db2.gz QZGDFVXONJSJHZ-UHFFFAOYSA-N 1 2 233.231 0.296 20 0 BCADLO C/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750747284 585219360 /nfs/dbraw/zinc/21/93/60/585219360.db2.gz QWNILJGXLBIXOJ-HMDXOVGESA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750747284 585219361 /nfs/dbraw/zinc/21/93/61/585219361.db2.gz QWNILJGXLBIXOJ-HMDXOVGESA-N 1 2 212.293 0.399 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751013338 585223390 /nfs/dbraw/zinc/22/33/90/585223390.db2.gz BUQOLCKVCJTZNV-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751013338 585223391 /nfs/dbraw/zinc/22/33/91/585223391.db2.gz BUQOLCKVCJTZNV-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO O=C(C[NH+]1CCC(c2nc[nH]n2)CC1)N1CCC1 ZINC000751500131 585231423 /nfs/dbraw/zinc/23/14/23/585231423.db2.gz MYUQHEVVQOYUHA-UHFFFAOYSA-N 1 2 249.318 0.216 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1C1CC1 ZINC000751747519 585236034 /nfs/dbraw/zinc/23/60/34/585236034.db2.gz VLLDAUORBREBSG-VXGBXAGGSA-N 1 2 239.315 0.908 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000751824694 585237172 /nfs/dbraw/zinc/23/71/72/585237172.db2.gz OUOMDPSSKSKQQJ-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000751824694 585237173 /nfs/dbraw/zinc/23/71/73/585237173.db2.gz OUOMDPSSKSKQQJ-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO CO[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000751939184 585239668 /nfs/dbraw/zinc/23/96/68/585239668.db2.gz JIIYCWXYRCAHNE-MRVPVSSYSA-N 1 2 228.321 0.629 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000751939184 585239669 /nfs/dbraw/zinc/23/96/69/585239669.db2.gz JIIYCWXYRCAHNE-MRVPVSSYSA-N 1 2 228.321 0.629 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752090512 585241767 /nfs/dbraw/zinc/24/17/67/585241767.db2.gz AEEQUVYBADTCLP-GARJFASQSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752090512 585241768 /nfs/dbraw/zinc/24/17/68/585241768.db2.gz AEEQUVYBADTCLP-GARJFASQSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752090513 585242129 /nfs/dbraw/zinc/24/21/29/585242129.db2.gz AEEQUVYBADTCLP-MXWKQRLJSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752090513 585242130 /nfs/dbraw/zinc/24/21/30/585242130.db2.gz AEEQUVYBADTCLP-MXWKQRLJSA-N 1 2 245.319 0.146 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC=CO1 ZINC000752950654 585251553 /nfs/dbraw/zinc/25/15/53/585251553.db2.gz IJEOJXHCXNQFKJ-SNVBAGLBSA-N 1 2 221.260 0.729 20 0 BCADLO CC(C)c1nnnn1Cc1c[nH+]cn1C ZINC000753117582 585253744 /nfs/dbraw/zinc/25/37/44/585253744.db2.gz KEWOEQKZUDLJTJ-UHFFFAOYSA-N 1 2 206.253 0.578 20 0 BCADLO Cn1c[nH+]cc1CON=C(N)Cn1cccn1 ZINC000753118881 585253894 /nfs/dbraw/zinc/25/38/94/585253894.db2.gz LCNAVWXPAJMCFQ-UHFFFAOYSA-N 1 2 234.263 0.315 20 0 BCADLO CCON(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000753452621 585259107 /nfs/dbraw/zinc/25/91/07/585259107.db2.gz OKNKRUAOLQHRPU-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000753452621 585259108 /nfs/dbraw/zinc/25/91/08/585259108.db2.gz OKNKRUAOLQHRPU-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO c1cn(-c2cc(N3CCCO3)ncn2)c[nH+]1 ZINC000753527204 585260673 /nfs/dbraw/zinc/26/06/73/585260673.db2.gz GVQBLDRWHKBFSA-UHFFFAOYSA-N 1 2 217.232 0.804 20 0 BCADLO CCC(=O)CC[NH+]1CCN(C(=O)OC)CC1 ZINC000753706292 585266795 /nfs/dbraw/zinc/26/67/95/585266795.db2.gz ZVNUDKHVVVKPDG-UHFFFAOYSA-N 1 2 228.292 0.740 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)CC)CCO1 ZINC000753722757 585266979 /nfs/dbraw/zinc/26/69/79/585266979.db2.gz JZLOMVUBUFEODW-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)CC)CCO1 ZINC000753722757 585266980 /nfs/dbraw/zinc/26/69/80/585266980.db2.gz JZLOMVUBUFEODW-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)CC)CCO1 ZINC000753722756 585267279 /nfs/dbraw/zinc/26/72/79/585267279.db2.gz JZLOMVUBUFEODW-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)CC)CCO1 ZINC000753722756 585267280 /nfs/dbraw/zinc/26/72/80/585267280.db2.gz JZLOMVUBUFEODW-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nonc2C)C[C@@H]1OC ZINC000753808937 585269883 /nfs/dbraw/zinc/26/98/83/585269883.db2.gz RXPBHRYKSPROHK-AOOOYVTPSA-N 1 2 227.264 0.224 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nonc2C)C[C@@H]1OC ZINC000753808937 585269884 /nfs/dbraw/zinc/26/98/84/585269884.db2.gz RXPBHRYKSPROHK-AOOOYVTPSA-N 1 2 227.264 0.224 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000754001947 585274934 /nfs/dbraw/zinc/27/49/34/585274934.db2.gz RWQSOYHGMALLOG-YTWAJWBKSA-N 1 2 237.299 0.849 20 0 BCADLO C/C=C/C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754300620 585282340 /nfs/dbraw/zinc/28/23/40/585282340.db2.gz WDKOEZCYLXHLSB-QDLOVBKTSA-N 1 2 244.360 0.085 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1=COCC1 ZINC000754355607 585283145 /nfs/dbraw/zinc/28/31/45/585283145.db2.gz QHMJNXWZSMOXCW-UHFFFAOYSA-N 1 2 207.233 0.639 20 0 BCADLO CC[C@@H]([NH2+][C@@H](CC(=O)OC)C1CC1)C(=O)OC ZINC000754542184 585285674 /nfs/dbraw/zinc/28/56/74/585285674.db2.gz VKOFSXQPMIQPBV-ZJUUUORDSA-N 1 2 243.303 0.869 20 0 BCADLO Cc1[nH]c(C(=O)NC2COC(C)(C)OC2)c[nH+]1 ZINC000754626036 585288287 /nfs/dbraw/zinc/28/82/87/585288287.db2.gz PETKMHNKEZNFQF-UHFFFAOYSA-N 1 2 239.275 0.599 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCOC1 ZINC000754686323 585289142 /nfs/dbraw/zinc/28/91/42/585289142.db2.gz XXRAMVKDGXFDAB-VIFPVBQESA-N 1 2 224.260 0.890 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCN2CCOC2=O)n1 ZINC000754688124 585289423 /nfs/dbraw/zinc/28/94/23/585289423.db2.gz FVAQJVRAJKENAU-ZETCQYMHSA-N 1 2 240.263 0.481 20 0 BCADLO CCN1CC[N@H+](CCC2OCCCO2)CC1=O ZINC000755289061 585297272 /nfs/dbraw/zinc/29/72/72/585297272.db2.gz CJNFWPZRLGLGMI-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO CCN1CC[N@@H+](CCC2OCCCO2)CC1=O ZINC000755289061 585297273 /nfs/dbraw/zinc/29/72/73/585297273.db2.gz CJNFWPZRLGLGMI-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO Cc1ccc(NC(=S)NCC(N)=O)c(C)[nH+]1 ZINC000755730364 585305045 /nfs/dbraw/zinc/30/50/45/585305045.db2.gz DLBFXRIQXYQPSX-UHFFFAOYSA-N 1 2 238.316 0.470 20 0 BCADLO Cc1nc([C@H](C)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000839533332 585329244 /nfs/dbraw/zinc/32/92/44/585329244.db2.gz HOLLBSOPBPLDMK-BDAKNGLRSA-N 1 2 223.324 0.810 20 0 BCADLO Cc1nc([C@H](C)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000839533332 585329245 /nfs/dbraw/zinc/32/92/45/585329245.db2.gz HOLLBSOPBPLDMK-BDAKNGLRSA-N 1 2 223.324 0.810 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@H]([C@@H](C)O)C1)OCC ZINC000839670488 585336207 /nfs/dbraw/zinc/33/62/07/585336207.db2.gz GNRKENIMCPTMCV-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1CCO[C@H]([C@@H](C)O)C1)OCC ZINC000839670488 585336208 /nfs/dbraw/zinc/33/62/08/585336208.db2.gz GNRKENIMCPTMCV-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CC(C)[C@H](C)[N@H+](C)Cn1ncn(C)c1=O ZINC000758301367 585353467 /nfs/dbraw/zinc/35/34/67/585353467.db2.gz VEMVPPRDQKKTAT-VIFPVBQESA-N 1 2 212.297 0.516 20 0 BCADLO CC(C)[C@H](C)[N@@H+](C)Cn1ncn(C)c1=O ZINC000758301367 585353468 /nfs/dbraw/zinc/35/34/68/585353468.db2.gz VEMVPPRDQKKTAT-VIFPVBQESA-N 1 2 212.297 0.516 20 0 BCADLO C[N@H+](Cn1nc2cnccn2c1=O)C1CCCC1 ZINC000758291700 585353480 /nfs/dbraw/zinc/35/34/80/585353480.db2.gz YMBZOHHIQVXARY-UHFFFAOYSA-N 1 2 247.302 0.723 20 0 BCADLO C[N@@H+](Cn1nc2cnccn2c1=O)C1CCCC1 ZINC000758291700 585353481 /nfs/dbraw/zinc/35/34/81/585353481.db2.gz YMBZOHHIQVXARY-UHFFFAOYSA-N 1 2 247.302 0.723 20 0 BCADLO CC(C)C[N@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758305182 585353546 /nfs/dbraw/zinc/35/35/46/585353546.db2.gz RDRLIXCTXMUEMQ-UHFFFAOYSA-N 1 2 238.335 0.926 20 0 BCADLO CC(C)C[N@@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758305182 585353547 /nfs/dbraw/zinc/35/35/47/585353547.db2.gz RDRLIXCTXMUEMQ-UHFFFAOYSA-N 1 2 238.335 0.926 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NOCC(F)F ZINC000758839001 585360686 /nfs/dbraw/zinc/36/06/86/585360686.db2.gz RVIDDXWSGUDLFX-ZETCQYMHSA-N 1 2 248.233 0.768 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)CC1(C)C ZINC000759001167 585363322 /nfs/dbraw/zinc/36/33/22/585363322.db2.gz VAKUYVRDYZRRMP-SNVBAGLBSA-N 1 2 238.335 0.907 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)CC1(C)C ZINC000759001167 585363323 /nfs/dbraw/zinc/36/33/23/585363323.db2.gz VAKUYVRDYZRRMP-SNVBAGLBSA-N 1 2 238.335 0.907 20 0 BCADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC000759326118 585366972 /nfs/dbraw/zinc/36/69/72/585366972.db2.gz DFTLDJDYDHAKLK-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC000759326118 585366973 /nfs/dbraw/zinc/36/69/73/585366973.db2.gz DFTLDJDYDHAKLK-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCCCCC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000759320301 585367073 /nfs/dbraw/zinc/36/70/73/585367073.db2.gz DNKHLGCYKHBGKG-NSHDSACASA-N 1 2 228.336 0.750 20 0 BCADLO CCCCCC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000759320301 585367074 /nfs/dbraw/zinc/36/70/74/585367074.db2.gz DNKHLGCYKHBGKG-NSHDSACASA-N 1 2 228.336 0.750 20 0 BCADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC000759326113 585367561 /nfs/dbraw/zinc/36/75/61/585367561.db2.gz DFTLDJDYDHAKLK-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC000759326113 585367562 /nfs/dbraw/zinc/36/75/62/585367562.db2.gz DFTLDJDYDHAKLK-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H](CO)C1 ZINC000759709426 585379212 /nfs/dbraw/zinc/37/92/12/585379212.db2.gz QHJKRJXUPHNQPV-JTQLQIEISA-N 1 2 245.282 0.789 20 0 BCADLO COCc1nn(C[N@H+](C)CC(C)C)c(=O)o1 ZINC000759726784 585379689 /nfs/dbraw/zinc/37/96/89/585379689.db2.gz HDFWPKQWSKLGDT-UHFFFAOYSA-N 1 2 229.280 0.528 20 0 BCADLO COCc1nn(C[N@@H+](C)CC(C)C)c(=O)o1 ZINC000759726784 585379690 /nfs/dbraw/zinc/37/96/90/585379690.db2.gz HDFWPKQWSKLGDT-UHFFFAOYSA-N 1 2 229.280 0.528 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000759871452 585381700 /nfs/dbraw/zinc/38/17/00/585381700.db2.gz VFCMGIHGQOKHEM-HZMBPMFUSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000759871452 585381701 /nfs/dbraw/zinc/38/17/01/585381701.db2.gz VFCMGIHGQOKHEM-HZMBPMFUSA-N 1 2 217.334 0.808 20 0 BCADLO CC(C)NC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000760296663 585389655 /nfs/dbraw/zinc/38/96/55/585389655.db2.gz KOIVKLYFCDULOA-ZJUUUORDSA-N 1 2 243.376 0.284 20 0 BCADLO CC(C)NC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000760296663 585389656 /nfs/dbraw/zinc/38/96/56/585389656.db2.gz KOIVKLYFCDULOA-ZJUUUORDSA-N 1 2 243.376 0.284 20 0 BCADLO CC[N@H+](CCC1CC1)Cn1ncn(C)c1=O ZINC000760538014 585393818 /nfs/dbraw/zinc/39/38/18/585393818.db2.gz IHPYDFIHVQAZCY-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO CC[N@@H+](CCC1CC1)Cn1ncn(C)c1=O ZINC000760538014 585393819 /nfs/dbraw/zinc/39/38/19/585393819.db2.gz IHPYDFIHVQAZCY-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000761054559 585404720 /nfs/dbraw/zinc/40/47/20/585404720.db2.gz HBNAQPCIHDOQAW-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cn1 ZINC000761054559 585404721 /nfs/dbraw/zinc/40/47/21/585404721.db2.gz HBNAQPCIHDOQAW-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ccnc(C[N@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000761062061 585404757 /nfs/dbraw/zinc/40/47/57/585404757.db2.gz XVMCGWWCWUUZDH-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000761062061 585404758 /nfs/dbraw/zinc/40/47/58/585404758.db2.gz XVMCGWWCWUUZDH-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761075657 585406105 /nfs/dbraw/zinc/40/61/05/585406105.db2.gz KIGWQJHDRNWHMQ-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761075657 585406106 /nfs/dbraw/zinc/40/61/06/585406106.db2.gz KIGWQJHDRNWHMQ-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761080977 585406636 /nfs/dbraw/zinc/40/66/36/585406636.db2.gz KWHMQIVLQYIFHX-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761080977 585406637 /nfs/dbraw/zinc/40/66/37/585406637.db2.gz KWHMQIVLQYIFHX-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000761084059 585407067 /nfs/dbraw/zinc/40/70/67/585407067.db2.gz YCDNVSPKLCITMW-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000761084059 585407068 /nfs/dbraw/zinc/40/70/68/585407068.db2.gz YCDNVSPKLCITMW-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO Cn1ncc2c1nc(C[N@@H+]1CC[C@@H]3C[C@@H]31)[nH]c2=O ZINC000761094298 585408590 /nfs/dbraw/zinc/40/85/90/585408590.db2.gz OZNGQNJKRCETSB-APPZFPTMSA-N 1 2 245.286 0.663 20 0 BCADLO Cn1ncc2c1nc(C[N@H+]1CC[C@@H]3C[C@@H]31)[nH]c2=O ZINC000761094298 585408591 /nfs/dbraw/zinc/40/85/91/585408591.db2.gz OZNGQNJKRCETSB-APPZFPTMSA-N 1 2 245.286 0.663 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761108255 585409827 /nfs/dbraw/zinc/40/98/27/585409827.db2.gz JPLSUKCPLAELMO-NKWVEPMBSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](C(F)F)C1 ZINC000761108255 585409828 /nfs/dbraw/zinc/40/98/28/585409828.db2.gz JPLSUKCPLAELMO-NKWVEPMBSA-N 1 2 205.204 0.889 20 0 BCADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(C)c1=O ZINC000762138934 585427580 /nfs/dbraw/zinc/42/75/80/585427580.db2.gz OCNFHDDFZYTUIT-SNVBAGLBSA-N 1 2 236.319 0.804 20 0 BCADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ncn(C)c1=O ZINC000762138934 585427581 /nfs/dbraw/zinc/42/75/81/585427581.db2.gz OCNFHDDFZYTUIT-SNVBAGLBSA-N 1 2 236.319 0.804 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cn2cnnc2)C1 ZINC000762185091 585428641 /nfs/dbraw/zinc/42/86/41/585428641.db2.gz QRGVGPVZSSGAPU-ZETCQYMHSA-N 1 2 236.197 0.235 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cn2cnnc2)C1 ZINC000762185091 585428642 /nfs/dbraw/zinc/42/86/42/585428642.db2.gz QRGVGPVZSSGAPU-ZETCQYMHSA-N 1 2 236.197 0.235 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1 ZINC000762211067 585429137 /nfs/dbraw/zinc/42/91/37/585429137.db2.gz SYMOBLMOXUZFBA-SFYZADRCSA-N 1 2 242.275 0.615 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCOC[C@@H]1CCO ZINC000762332449 585430805 /nfs/dbraw/zinc/43/08/05/585430805.db2.gz CQECBQODDDXUEE-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCOC[C@@H]1CCO ZINC000762332449 585430806 /nfs/dbraw/zinc/43/08/06/585430806.db2.gz CQECBQODDDXUEE-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(-c2ncccn2)n1 ZINC000762412903 585431812 /nfs/dbraw/zinc/43/18/12/585431812.db2.gz XGPPAZPXWDGTQF-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CCCOCC1 ZINC000762487782 585433169 /nfs/dbraw/zinc/43/31/69/585433169.db2.gz GFNAYQIXSCRQDJ-LBPRGKRZSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CCCOCC1 ZINC000762487782 585433170 /nfs/dbraw/zinc/43/31/70/585433170.db2.gz GFNAYQIXSCRQDJ-LBPRGKRZSA-N 1 2 238.331 0.925 20 0 BCADLO CCCNC(=O)[C@H](C)O[NH+]=C(N)COC(C)C ZINC000762712912 585435807 /nfs/dbraw/zinc/43/58/07/585435807.db2.gz RPAHULXWEOFGBR-VIFPVBQESA-N 1 2 245.323 0.825 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cc[nH]n1 ZINC000763114761 585443306 /nfs/dbraw/zinc/44/33/06/585443306.db2.gz VPFYXBSRNRWNSO-UHFFFAOYSA-N 1 2 206.205 0.463 20 0 BCADLO C[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000763718158 585453288 /nfs/dbraw/zinc/45/32/88/585453288.db2.gz VLHAYOFWCQEWGR-MRVPVSSYSA-N 1 2 219.244 0.445 20 0 BCADLO COC(C[N@H+]1CC[S@@](=O)C[C@@H](C)C1)OC ZINC000763877490 585455720 /nfs/dbraw/zinc/45/57/20/585455720.db2.gz JMASWBKEJOEQIV-BJOHPYRUSA-N 1 2 235.349 0.306 20 0 BCADLO COC(C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1)OC ZINC000763877490 585455719 /nfs/dbraw/zinc/45/57/19/585455719.db2.gz JMASWBKEJOEQIV-BJOHPYRUSA-N 1 2 235.349 0.306 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764201685 585461189 /nfs/dbraw/zinc/46/11/89/585461189.db2.gz OUCAQPHNMLYBQG-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201685 585461190 /nfs/dbraw/zinc/46/11/90/585461190.db2.gz OUCAQPHNMLYBQG-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764201126 585461287 /nfs/dbraw/zinc/46/12/87/585461287.db2.gz GXFQTRVRLPVYGW-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201126 585461288 /nfs/dbraw/zinc/46/12/88/585461288.db2.gz GXFQTRVRLPVYGW-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H]1CCN(C(C)C)C1=O ZINC000764204197 585461459 /nfs/dbraw/zinc/46/14/59/585461459.db2.gz NIVDYFPCRUSKED-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H]1CCN(C(C)C)C1=O ZINC000764204197 585461460 /nfs/dbraw/zinc/46/14/60/585461460.db2.gz NIVDYFPCRUSKED-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@]12CCOC2 ZINC000764648598 585470017 /nfs/dbraw/zinc/47/00/17/585470017.db2.gz ZZSPUTPZTZIXQN-JQWIXIFHSA-N 1 2 236.271 0.853 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000765061575 585480296 /nfs/dbraw/zinc/48/02/96/585480296.db2.gz GYNOMUSUIDFPHI-QMMMGPOBSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000765061575 585480297 /nfs/dbraw/zinc/48/02/97/585480297.db2.gz GYNOMUSUIDFPHI-QMMMGPOBSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000765061573 585480310 /nfs/dbraw/zinc/48/03/10/585480310.db2.gz GYNOMUSUIDFPHI-MRVPVSSYSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000765061573 585480311 /nfs/dbraw/zinc/48/03/11/585480311.db2.gz GYNOMUSUIDFPHI-MRVPVSSYSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)(F)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765122614 585481511 /nfs/dbraw/zinc/48/15/11/585481511.db2.gz OEYFXCCACVDFEO-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCCF)CCO1 ZINC000766075889 585497363 /nfs/dbraw/zinc/49/73/63/585497363.db2.gz MYSDYOKAMNHHGB-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCCF)CCO1 ZINC000766075889 585497364 /nfs/dbraw/zinc/49/73/64/585497364.db2.gz MYSDYOKAMNHHGB-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C)c1cnccn1 ZINC000767307846 585516424 /nfs/dbraw/zinc/51/64/24/585516424.db2.gz ZXLPHVIKMQYURZ-SECBINFHSA-N 1 2 222.292 0.606 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C)c1cnccn1 ZINC000767307846 585516425 /nfs/dbraw/zinc/51/64/25/585516425.db2.gz ZXLPHVIKMQYURZ-SECBINFHSA-N 1 2 222.292 0.606 20 0 BCADLO Cc1nonc1CNC(=O)Nc1cc[nH+]cc1C ZINC000767908186 585528096 /nfs/dbraw/zinc/52/80/96/585528096.db2.gz MNZOKKHZKFELQY-UHFFFAOYSA-N 1 2 247.258 0.825 20 0 BCADLO O=C1C[N@H+](Cc2ccc3c(c2)COC3)CCN1 ZINC000768159905 585533302 /nfs/dbraw/zinc/53/33/02/585533302.db2.gz HUWSCZJQUNCKHU-UHFFFAOYSA-N 1 2 232.283 0.649 20 0 BCADLO O=C1C[N@@H+](Cc2ccc3c(c2)COC3)CCN1 ZINC000768159905 585533303 /nfs/dbraw/zinc/53/33/03/585533303.db2.gz HUWSCZJQUNCKHU-UHFFFAOYSA-N 1 2 232.283 0.649 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cncnc1 ZINC000768300851 585535190 /nfs/dbraw/zinc/53/51/90/585535190.db2.gz GBPBRAQIISPBRQ-UHFFFAOYSA-N 1 2 208.265 0.045 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cncnc1 ZINC000768300851 585535191 /nfs/dbraw/zinc/53/51/91/585535191.db2.gz GBPBRAQIISPBRQ-UHFFFAOYSA-N 1 2 208.265 0.045 20 0 BCADLO CC(C)(F)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000768385651 585537616 /nfs/dbraw/zinc/53/76/16/585537616.db2.gz PVMQQVTYPMRGKL-UHFFFAOYSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(F)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000768385651 585537617 /nfs/dbraw/zinc/53/76/17/585537617.db2.gz PVMQQVTYPMRGKL-UHFFFAOYSA-N 1 2 246.326 0.962 20 0 BCADLO COC(C[NH+]1CCN(C(=O)C2CC2)CC1)OC ZINC000768513826 585539477 /nfs/dbraw/zinc/53/94/77/585539477.db2.gz PIBCJPCZWRPCLQ-UHFFFAOYSA-N 1 2 242.319 0.160 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000768765940 585542903 /nfs/dbraw/zinc/54/29/03/585542903.db2.gz WSMRWICYLNVQIM-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000768765940 585542904 /nfs/dbraw/zinc/54/29/04/585542904.db2.gz WSMRWICYLNVQIM-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000768765940 585542905 /nfs/dbraw/zinc/54/29/05/585542905.db2.gz WSMRWICYLNVQIM-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768765940 585542906 /nfs/dbraw/zinc/54/29/06/585542906.db2.gz WSMRWICYLNVQIM-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO COCCOCCO[NH+]=C(N)COC(C)(C)C ZINC000768933750 585546430 /nfs/dbraw/zinc/54/64/30/585546430.db2.gz WGOCLNZVBIFZJE-UHFFFAOYSA-N 1 2 248.323 0.963 20 0 BCADLO CC1(C)OC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000769276991 585552179 /nfs/dbraw/zinc/55/21/79/585552179.db2.gz QCRQHNGMLQFIBW-SECBINFHSA-N 1 2 239.275 0.151 20 0 BCADLO c1ncc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000769319095 585553841 /nfs/dbraw/zinc/55/38/41/585553841.db2.gz OIEITHZBHOKRGN-UHFFFAOYSA-N 1 2 221.260 0.425 20 0 BCADLO c1ncc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000769319095 585553842 /nfs/dbraw/zinc/55/38/42/585553842.db2.gz OIEITHZBHOKRGN-UHFFFAOYSA-N 1 2 221.260 0.425 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cn[nH]c2)C1 ZINC000769565400 585559634 /nfs/dbraw/zinc/55/96/34/585559634.db2.gz NYHFHTYGTAZSST-SNVBAGLBSA-N 1 2 227.239 0.497 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000769565400 585559635 /nfs/dbraw/zinc/55/96/35/585559635.db2.gz NYHFHTYGTAZSST-SNVBAGLBSA-N 1 2 227.239 0.497 20 0 BCADLO CCCNC(=S)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769793272 585563695 /nfs/dbraw/zinc/56/36/95/585563695.db2.gz LUYMQVSYNSETMU-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO CCCNC(=S)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769793272 585563696 /nfs/dbraw/zinc/56/36/96/585563696.db2.gz LUYMQVSYNSETMU-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000769835390 585564932 /nfs/dbraw/zinc/56/49/32/585564932.db2.gz RCLVOOBNDQBNHT-QMMMGPOBSA-N 1 2 242.348 0.743 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000769835390 585564933 /nfs/dbraw/zinc/56/49/33/585564933.db2.gz RCLVOOBNDQBNHT-QMMMGPOBSA-N 1 2 242.348 0.743 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CCF)C1 ZINC000769999101 585568862 /nfs/dbraw/zinc/56/88/62/585568862.db2.gz CHXSQIZMKONSIB-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CCF)C1 ZINC000769999101 585568863 /nfs/dbraw/zinc/56/88/63/585568863.db2.gz CHXSQIZMKONSIB-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO C[S@](=O)CC[NH+]1CCN(C2CCC2)CC1 ZINC000770510114 585575363 /nfs/dbraw/zinc/57/53/63/585575363.db2.gz JQKYWGVGOVVCGK-HNNXBMFYSA-N 1 2 230.377 0.535 20 0 BCADLO CC(C)[C@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000770556559 585576442 /nfs/dbraw/zinc/57/64/42/585576442.db2.gz KYHWOYNJSFDJAO-LBPRGKRZSA-N 1 2 245.319 0.269 20 0 BCADLO CO[C@@H](C(=O)OCC[NH+]1CCOCC1)C(C)C ZINC000770629383 585578107 /nfs/dbraw/zinc/57/81/07/585578107.db2.gz OZUFYUIOSMCPEZ-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO Cn1cc(/C=C\C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771893740 585604039 /nfs/dbraw/zinc/60/40/39/585604039.db2.gz PYKYLPOQIMWMMN-IHWYPQMZSA-N 1 2 246.270 0.873 20 0 BCADLO COCCCC(=O)OCCn1cc[nH+]c1 ZINC000771918422 585604248 /nfs/dbraw/zinc/60/42/48/585604248.db2.gz IECWCDQOUKZFFD-UHFFFAOYSA-N 1 2 212.249 0.853 20 0 BCADLO Cn1cc(C(=O)C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771937451 585604864 /nfs/dbraw/zinc/60/48/64/585604864.db2.gz NRZMFXHFUNQJER-UHFFFAOYSA-N 1 2 248.242 0.043 20 0 BCADLO CCCOCC(=O)OCCn1cc[nH+]c1 ZINC000771939784 585605051 /nfs/dbraw/zinc/60/50/51/585605051.db2.gz TZFHGQATEXIMHC-UHFFFAOYSA-N 1 2 212.249 0.853 20 0 BCADLO O=C(/C=C/c1cnccn1)OCCn1cc[nH+]c1 ZINC000771958183 585605393 /nfs/dbraw/zinc/60/53/93/585605393.db2.gz AYCZNJBMULPWNM-OWOJBTEDSA-N 1 2 244.254 0.930 20 0 BCADLO Cc1nn(C)cc1C(=O)OCCn1cc[nH+]c1 ZINC000771958239 585605409 /nfs/dbraw/zinc/60/54/09/585605409.db2.gz BETZQJHNJWFVMJ-UHFFFAOYSA-N 1 2 234.259 0.782 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H]2CCOC2)C1 ZINC000805468483 585620280 /nfs/dbraw/zinc/62/02/80/585620280.db2.gz GNFIZOMTEFTMJF-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H]2CCOC2)C1 ZINC000805468483 585620281 /nfs/dbraw/zinc/62/02/81/585620281.db2.gz GNFIZOMTEFTMJF-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H]2CCOC2)C1 ZINC000805468482 585620309 /nfs/dbraw/zinc/62/03/09/585620309.db2.gz GNFIZOMTEFTMJF-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H]2CCOC2)C1 ZINC000805468482 585620310 /nfs/dbraw/zinc/62/03/10/585620310.db2.gz GNFIZOMTEFTMJF-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC(C)(C)O)C1 ZINC000805468457 585620474 /nfs/dbraw/zinc/62/04/74/585620474.db2.gz HFFATJKONZFOSS-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCC(C)(C)O)C1 ZINC000805468457 585620475 /nfs/dbraw/zinc/62/04/75/585620475.db2.gz HFFATJKONZFOSS-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO CCOCCONC(=O)CCn1cc[nH+]c1 ZINC000772689844 585621023 /nfs/dbraw/zinc/62/10/23/585621023.db2.gz KWOQQEXZCRNTAW-UHFFFAOYSA-N 1 2 227.264 0.358 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ncccn2)c[nH+]1 ZINC000772698926 585621213 /nfs/dbraw/zinc/62/12/13/585621213.db2.gz DGEHKBXMKROJHE-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCF)C1 ZINC000805469283 585621272 /nfs/dbraw/zinc/62/12/72/585621272.db2.gz KTXXHURUKLKECJ-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCF)C1 ZINC000805469283 585621273 /nfs/dbraw/zinc/62/12/73/585621273.db2.gz KTXXHURUKLKECJ-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccno2)C1 ZINC000805469542 585621626 /nfs/dbraw/zinc/62/16/26/585621626.db2.gz HISRXTXIZUDZFR-JTQLQIEISA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccno2)C1 ZINC000805469542 585621627 /nfs/dbraw/zinc/62/16/27/585621627.db2.gz HISRXTXIZUDZFR-JTQLQIEISA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccon2)C1 ZINC000805469831 585621910 /nfs/dbraw/zinc/62/19/10/585621910.db2.gz JJPBGFSUGOEYCG-SNVBAGLBSA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccon2)C1 ZINC000805469831 585621911 /nfs/dbraw/zinc/62/19/11/585621911.db2.gz JJPBGFSUGOEYCG-SNVBAGLBSA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)C(C)C)C1 ZINC000805470406 585622722 /nfs/dbraw/zinc/62/27/22/585622722.db2.gz SDTUDLCDHAUJGI-NSHDSACASA-N 1 2 243.303 0.475 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)C(C)C)C1 ZINC000805470406 585622723 /nfs/dbraw/zinc/62/27/23/585622723.db2.gz SDTUDLCDHAUJGI-NSHDSACASA-N 1 2 243.303 0.475 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)C2CC2)C1 ZINC000805470931 585623370 /nfs/dbraw/zinc/62/33/70/585623370.db2.gz ZLPZHUMHRSZBHE-NSHDSACASA-N 1 2 241.287 0.229 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)C2CC2)C1 ZINC000805470931 585623371 /nfs/dbraw/zinc/62/33/71/585623371.db2.gz ZLPZHUMHRSZBHE-NSHDSACASA-N 1 2 241.287 0.229 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)COC)C1 ZINC000805471145 585623766 /nfs/dbraw/zinc/62/37/66/585623766.db2.gz AQLRRFCSKVOIRI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)COC)C1 ZINC000805471145 585623767 /nfs/dbraw/zinc/62/37/67/585623767.db2.gz AQLRRFCSKVOIRI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCOC)C1 ZINC000805471514 585623893 /nfs/dbraw/zinc/62/38/93/585623893.db2.gz LXHYRGWNXCBNOL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCOC)C1 ZINC000805471514 585623894 /nfs/dbraw/zinc/62/38/94/585623894.db2.gz LXHYRGWNXCBNOL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811812 585624643 /nfs/dbraw/zinc/62/46/43/585624643.db2.gz IGMFSRRSFHHLKS-YAJNLLPGSA-N 1 2 205.261 0.959 20 0 BCADLO CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811812 585624644 /nfs/dbraw/zinc/62/46/44/585624644.db2.gz IGMFSRRSFHHLKS-YAJNLLPGSA-N 1 2 205.261 0.959 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=COCC1 ZINC000772811117 585624751 /nfs/dbraw/zinc/62/47/51/585624751.db2.gz GUHCPHGSQOHNSJ-SECBINFHSA-N 1 2 233.271 0.687 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=COCC1 ZINC000772811117 585624752 /nfs/dbraw/zinc/62/47/52/585624752.db2.gz GUHCPHGSQOHNSJ-SECBINFHSA-N 1 2 233.271 0.687 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCSC)C1 ZINC000805472847 585624878 /nfs/dbraw/zinc/62/48/78/585624878.db2.gz OYDHNLNRQRZNCF-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCSC)C1 ZINC000805472847 585624879 /nfs/dbraw/zinc/62/48/79/585624879.db2.gz OYDHNLNRQRZNCF-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCSC)C1 ZINC000805472849 585624934 /nfs/dbraw/zinc/62/49/34/585624934.db2.gz OYDHNLNRQRZNCF-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCSC)C1 ZINC000805472849 585624935 /nfs/dbraw/zinc/62/49/35/585624935.db2.gz OYDHNLNRQRZNCF-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCCO)C1 ZINC000805476812 585630574 /nfs/dbraw/zinc/63/05/74/585630574.db2.gz ACXLVMNGIQZELJ-LLVKDONJSA-N 1 2 245.319 0.413 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCCO)C1 ZINC000805476812 585630575 /nfs/dbraw/zinc/63/05/75/585630575.db2.gz ACXLVMNGIQZELJ-LLVKDONJSA-N 1 2 245.319 0.413 20 0 BCADLO COCCCOCC[N@H+](C)Cc1nonc1C ZINC000773741502 585643123 /nfs/dbraw/zinc/64/31/23/585643123.db2.gz GDRWSHRGBQIGFL-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1nonc1C ZINC000773741502 585643124 /nfs/dbraw/zinc/64/31/24/585643124.db2.gz GDRWSHRGBQIGFL-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCc1ccnn1C ZINC000774136679 585651509 /nfs/dbraw/zinc/65/15/09/585651509.db2.gz CPCQGZFUKFOMQW-UHFFFAOYSA-N 1 2 248.286 0.830 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)CCO1 ZINC000774556422 585660993 /nfs/dbraw/zinc/66/09/93/585660993.db2.gz VPSIVEYBBCENDW-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)CCO1 ZINC000774556422 585660994 /nfs/dbraw/zinc/66/09/94/585660994.db2.gz VPSIVEYBBCENDW-SECBINFHSA-N 1 2 216.281 0.117 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000774763597 585665271 /nfs/dbraw/zinc/66/52/71/585665271.db2.gz NWKMJXYGNZTOAO-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000774763597 585665272 /nfs/dbraw/zinc/66/52/72/585665272.db2.gz NWKMJXYGNZTOAO-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1cn(C)nn1 ZINC000775569008 585680026 /nfs/dbraw/zinc/68/00/26/585680026.db2.gz KRTWJWQXUNFHQN-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1cn(C)nn1 ZINC000775569008 585680027 /nfs/dbraw/zinc/68/00/27/585680027.db2.gz KRTWJWQXUNFHQN-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1OCCO1 ZINC000775806562 585685412 /nfs/dbraw/zinc/68/54/12/585685412.db2.gz KGOVXOQGAARQHL-ZJUUUORDSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC1OCCO1 ZINC000775806562 585685413 /nfs/dbraw/zinc/68/54/13/585685413.db2.gz KGOVXOQGAARQHL-ZJUUUORDSA-N 1 2 243.303 0.633 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(OC)cn1 ZINC000775944857 585688259 /nfs/dbraw/zinc/68/82/59/585688259.db2.gz DPZFMAAYZPRFJK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(OC)cn1 ZINC000775944857 585688260 /nfs/dbraw/zinc/68/82/60/585688260.db2.gz DPZFMAAYZPRFJK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1coc(C2CC2)n1 ZINC000775993761 585688737 /nfs/dbraw/zinc/68/87/37/585688737.db2.gz BLCFYTHIAVQDFW-WDEREUQCSA-N 1 2 238.287 0.480 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1coc(C2CC2)n1 ZINC000775993761 585688738 /nfs/dbraw/zinc/68/87/38/585688738.db2.gz BLCFYTHIAVQDFW-WDEREUQCSA-N 1 2 238.287 0.480 20 0 BCADLO COCCCOCC(=O)OCc1c[nH+]cn1C ZINC000776094064 585689993 /nfs/dbraw/zinc/68/99/93/585689993.db2.gz MATFQSAUWDBVQQ-UHFFFAOYSA-N 1 2 242.275 0.516 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000776357374 585696344 /nfs/dbraw/zinc/69/63/44/585696344.db2.gz LTHPJJFCBQBLRT-NSHDSACASA-N 1 2 239.319 0.486 20 0 BCADLO COCC[N@H+](C)CC(=O)OCC(C)C ZINC000776579124 585700879 /nfs/dbraw/zinc/70/08/79/585700879.db2.gz JXTZGQKMNWUQHC-UHFFFAOYSA-N 1 2 203.282 0.764 20 0 BCADLO COCC[N@@H+](C)CC(=O)OCC(C)C ZINC000776579124 585700880 /nfs/dbraw/zinc/70/08/80/585700880.db2.gz JXTZGQKMNWUQHC-UHFFFAOYSA-N 1 2 203.282 0.764 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000777456671 585712690 /nfs/dbraw/zinc/71/26/90/585712690.db2.gz BMDMTVSRDRAFDR-JTQLQIEISA-N 1 2 245.286 0.970 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)CC1OCCO1 ZINC000777558091 585715387 /nfs/dbraw/zinc/71/53/87/585715387.db2.gz AZQNWTKOIPMMNA-UHFFFAOYSA-N 1 2 244.335 0.598 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)CC1OCCO1 ZINC000777558091 585715388 /nfs/dbraw/zinc/71/53/88/585715388.db2.gz AZQNWTKOIPMMNA-UHFFFAOYSA-N 1 2 244.335 0.598 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000777598909 585716898 /nfs/dbraw/zinc/71/68/98/585716898.db2.gz CMMCKZVFZHSVAU-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000777598909 585716899 /nfs/dbraw/zinc/71/68/99/585716899.db2.gz CMMCKZVFZHSVAU-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000777615311 585717120 /nfs/dbraw/zinc/71/71/20/585717120.db2.gz QFURJAVWYXCQRM-VIFPVBQESA-N 1 2 236.275 0.604 20 0 BCADLO CCC[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000777713587 585719035 /nfs/dbraw/zinc/71/90/35/585719035.db2.gz KMQNRENXHUGBCX-SNVBAGLBSA-N 1 2 215.293 0.860 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000777713587 585719036 /nfs/dbraw/zinc/71/90/36/585719036.db2.gz KMQNRENXHUGBCX-SNVBAGLBSA-N 1 2 215.293 0.860 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC=CO1 ZINC000777859324 585721759 /nfs/dbraw/zinc/72/17/59/585721759.db2.gz BRWRSKVQRQXWPW-MRVPVSSYSA-N 1 2 207.233 0.719 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000777969682 585724852 /nfs/dbraw/zinc/72/48/52/585724852.db2.gz SFHSFPYDUDURAZ-SNVBAGLBSA-N 1 2 210.281 0.592 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000777969682 585724853 /nfs/dbraw/zinc/72/48/53/585724853.db2.gz SFHSFPYDUDURAZ-SNVBAGLBSA-N 1 2 210.281 0.592 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000777967617 585724890 /nfs/dbraw/zinc/72/48/90/585724890.db2.gz DKESLXJSVDVVIW-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000777967617 585724891 /nfs/dbraw/zinc/72/48/91/585724891.db2.gz DKESLXJSVDVVIW-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)(C)OCC(=O)OCC[NH+]1CCOCC1 ZINC000778155706 585726307 /nfs/dbraw/zinc/72/63/07/585726307.db2.gz PDQHQGRLHSVGOW-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C[C@@H]1F ZINC000778232756 585728759 /nfs/dbraw/zinc/72/87/59/585728759.db2.gz GVBSAVCXCQAJLW-HRDYMLBCSA-N 1 2 201.241 0.982 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C[C@@H]1F ZINC000778232756 585728760 /nfs/dbraw/zinc/72/87/60/585728760.db2.gz GVBSAVCXCQAJLW-HRDYMLBCSA-N 1 2 201.241 0.982 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000778241967 585729396 /nfs/dbraw/zinc/72/93/96/585729396.db2.gz JAARVSIUGQHREC-JTQLQIEISA-N 1 2 230.308 0.363 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000778241967 585729397 /nfs/dbraw/zinc/72/93/97/585729397.db2.gz JAARVSIUGQHREC-JTQLQIEISA-N 1 2 230.308 0.363 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000778241302 585729409 /nfs/dbraw/zinc/72/94/09/585729409.db2.gz IHZUXGXKKSRWGH-JTQLQIEISA-N 1 2 215.293 0.716 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000778241302 585729410 /nfs/dbraw/zinc/72/94/10/585729410.db2.gz IHZUXGXKKSRWGH-JTQLQIEISA-N 1 2 215.293 0.716 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)no1 ZINC000778254452 585729628 /nfs/dbraw/zinc/72/96/28/585729628.db2.gz ZQEQVIUDCAKTFV-QMMMGPOBSA-N 1 2 247.258 0.319 20 0 BCADLO CC(C)(CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000778395255 585733292 /nfs/dbraw/zinc/73/32/92/585733292.db2.gz JESLCBPVJQQDMR-UHFFFAOYSA-N 1 2 233.271 0.835 20 0 BCADLO COc1cc(C)[nH+]c(COC(=O)c2cn[nH]n2)c1 ZINC000805608202 585735448 /nfs/dbraw/zinc/73/54/48/585735448.db2.gz APXZBSLZJRTSIR-UHFFFAOYSA-N 1 2 248.242 0.874 20 0 BCADLO CN1C(=O)CN(C[N@H+]2CC=CCC2)C1=O ZINC000778577859 585737673 /nfs/dbraw/zinc/73/76/73/585737673.db2.gz WHWZUQVHMOBXMT-UHFFFAOYSA-N 1 2 209.249 0.100 20 0 BCADLO CN1C(=O)CN(C[N@@H+]2CC=CCC2)C1=O ZINC000778577859 585737674 /nfs/dbraw/zinc/73/76/74/585737674.db2.gz WHWZUQVHMOBXMT-UHFFFAOYSA-N 1 2 209.249 0.100 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@@H]1CCCN(C)C1=O ZINC000778599371 585738078 /nfs/dbraw/zinc/73/80/78/585738078.db2.gz XMZPVQDORPOQOW-JGVFFNPUSA-N 1 2 229.280 0.141 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000778932676 585742348 /nfs/dbraw/zinc/74/23/48/585742348.db2.gz IPLDFKQCBFKGEV-SNVBAGLBSA-N 1 2 249.314 0.872 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000778932676 585742349 /nfs/dbraw/zinc/74/23/49/585742349.db2.gz IPLDFKQCBFKGEV-SNVBAGLBSA-N 1 2 249.314 0.872 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccc(F)nc2)C1=O ZINC000779157605 585746176 /nfs/dbraw/zinc/74/61/76/585746176.db2.gz FVJHFQSYIZUPHE-JTQLQIEISA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccc(F)nc2)C1=O ZINC000779157605 585746177 /nfs/dbraw/zinc/74/61/77/585746177.db2.gz FVJHFQSYIZUPHE-JTQLQIEISA-N 1 2 237.278 0.883 20 0 BCADLO O=C(C=Cc1cncc(O)c1)NCc1c[nH+]c[nH]1 ZINC000779666337 585758539 /nfs/dbraw/zinc/75/85/39/585758539.db2.gz RTRUNEAJOBEYMG-UPHRSURJSA-N 1 2 244.254 0.840 20 0 BCADLO O=C(C=Cc1cncc(O)c1)NCc1c[nH]c[nH+]1 ZINC000779666337 585758540 /nfs/dbraw/zinc/75/85/40/585758540.db2.gz RTRUNEAJOBEYMG-UPHRSURJSA-N 1 2 244.254 0.840 20 0 BCADLO CC[C@@H](CO)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000779789873 585763477 /nfs/dbraw/zinc/76/34/77/585763477.db2.gz YAYARJJHFZIVIS-QWRGUYRKSA-N 1 2 239.319 0.654 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000779814229 585766681 /nfs/dbraw/zinc/76/66/81/585766681.db2.gz XRAWVHHVANMOFU-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000779814229 585766682 /nfs/dbraw/zinc/76/66/82/585766682.db2.gz XRAWVHHVANMOFU-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CO[C@H](C)CON=C(N)C[NH+]1CCSCC1 ZINC000780128602 585772894 /nfs/dbraw/zinc/77/28/94/585772894.db2.gz OOKUPWHTNDJHRV-SECBINFHSA-N 1 2 247.364 0.569 20 0 BCADLO CO[C@@H](C)CON=C(N)C[NH+]1CCSCC1 ZINC000780128603 585772948 /nfs/dbraw/zinc/77/29/48/585772948.db2.gz OOKUPWHTNDJHRV-VIFPVBQESA-N 1 2 247.364 0.569 20 0 BCADLO Cc1cc(N2CCC3(CNC(=O)O3)CC2)nc[nH+]1 ZINC000780650003 585782500 /nfs/dbraw/zinc/78/25/00/585782500.db2.gz DSPBQKHVGAHOPA-UHFFFAOYSA-N 1 2 248.286 0.864 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1=O ZINC000781428763 585796028 /nfs/dbraw/zinc/79/60/28/585796028.db2.gz WRKPIIUBBOWMOE-SNVBAGLBSA-N 1 2 249.314 0.459 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1=O ZINC000781428763 585796029 /nfs/dbraw/zinc/79/60/29/585796029.db2.gz WRKPIIUBBOWMOE-SNVBAGLBSA-N 1 2 249.314 0.459 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781555551 585798486 /nfs/dbraw/zinc/79/84/86/585798486.db2.gz CTBPSVAMBJFMMW-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781555551 585798487 /nfs/dbraw/zinc/79/84/87/585798487.db2.gz CTBPSVAMBJFMMW-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO COC1(C(=O)OCC[NH+]2CCOCC2)CCC1 ZINC000781732696 585802251 /nfs/dbraw/zinc/80/22/51/585802251.db2.gz ZTPZOWWPTBSOPP-UHFFFAOYSA-N 1 2 243.303 0.431 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](CC(OC)OC)C1 ZINC000781900037 585805247 /nfs/dbraw/zinc/80/52/47/585805247.db2.gz UJYSKJKIFPQWBT-SNVBAGLBSA-N 1 2 235.255 0.192 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](CC(OC)OC)C1 ZINC000781900037 585805248 /nfs/dbraw/zinc/80/52/48/585805248.db2.gz UJYSKJKIFPQWBT-SNVBAGLBSA-N 1 2 235.255 0.192 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1OCCO1 ZINC000781943857 585805622 /nfs/dbraw/zinc/80/56/22/585805622.db2.gz GTAKTDFVOMWZNJ-MRVPVSSYSA-N 1 2 237.246 0.451 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1OCCO1 ZINC000781943857 585805623 /nfs/dbraw/zinc/80/56/23/585805623.db2.gz GTAKTDFVOMWZNJ-MRVPVSSYSA-N 1 2 237.246 0.451 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cnccn1 ZINC000782000701 585805973 /nfs/dbraw/zinc/80/59/73/585805973.db2.gz SYHUJHVMZGEDAL-UHFFFAOYSA-N 1 2 232.243 0.920 20 0 BCADLO COCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782265932 585812670 /nfs/dbraw/zinc/81/26/70/585812670.db2.gz JEEXFDCVOOBQFT-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(O)CCC1 ZINC000782258805 585813222 /nfs/dbraw/zinc/81/32/22/585813222.db2.gz PVYCQBOTAIJZHW-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO Cc1cn2c([nH+]1)CN(CN1CCCC1=O)CC2 ZINC000782274934 585813648 /nfs/dbraw/zinc/81/36/48/585813648.db2.gz DDXAVGIDLYXUFS-UHFFFAOYSA-N 1 2 234.303 0.587 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H]1CCOC1=O ZINC000782584727 585820596 /nfs/dbraw/zinc/82/05/96/585820596.db2.gz KZJZPDHVYGGGQJ-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H]1CCOC1=O ZINC000782584727 585820597 /nfs/dbraw/zinc/82/05/97/585820597.db2.gz KZJZPDHVYGGGQJ-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cccnc1 ZINC000782584640 585820622 /nfs/dbraw/zinc/82/06/22/585820622.db2.gz KKTQLEUZGNDSMH-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cccnc1 ZINC000782584640 585820623 /nfs/dbraw/zinc/82/06/23/585820623.db2.gz KKTQLEUZGNDSMH-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO CCOCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592759 585820630 /nfs/dbraw/zinc/82/06/30/585820630.db2.gz AZGSJTLHDCDSFE-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592759 585820631 /nfs/dbraw/zinc/82/06/31/585820631.db2.gz AZGSJTLHDCDSFE-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000782585763 585820848 /nfs/dbraw/zinc/82/08/48/585820848.db2.gz POJFWOGORVSELS-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccccc1 ZINC000782585763 585820849 /nfs/dbraw/zinc/82/08/49/585820849.db2.gz POJFWOGORVSELS-AAEUAGOBSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccncc1 ZINC000782585867 585820893 /nfs/dbraw/zinc/82/08/93/585820893.db2.gz QGGHCQNPOIKGDS-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccncc1 ZINC000782585867 585820894 /nfs/dbraw/zinc/82/08/94/585820894.db2.gz QGGHCQNPOIKGDS-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000782585769 585820956 /nfs/dbraw/zinc/82/09/56/585820956.db2.gz POJFWOGORVSELS-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccccc1 ZINC000782585769 585820957 /nfs/dbraw/zinc/82/09/57/585820957.db2.gz POJFWOGORVSELS-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1Cc1c[nH+]cn1C ZINC000782594283 585821340 /nfs/dbraw/zinc/82/13/40/585821340.db2.gz RNHXMULGIPHKLQ-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782617062 585822609 /nfs/dbraw/zinc/82/26/09/585822609.db2.gz LGFNFHZAPIFOSB-PWSUYJOCSA-N 1 2 219.288 0.599 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782617062 585822610 /nfs/dbraw/zinc/82/26/10/585822610.db2.gz LGFNFHZAPIFOSB-PWSUYJOCSA-N 1 2 219.288 0.599 20 0 BCADLO NC(=O)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155232 585828661 /nfs/dbraw/zinc/82/86/61/585828661.db2.gz AYMUHHVHBKNJFQ-UHFFFAOYSA-N 1 2 225.223 0.352 20 0 BCADLO Cn1nc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000859269638 589026011 /nfs/dbraw/zinc/02/60/11/589026011.db2.gz FCEKMXULRBZWIQ-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1nc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000859269638 589026012 /nfs/dbraw/zinc/02/60/12/589026012.db2.gz FCEKMXULRBZWIQ-KCJUWKMLSA-N 1 2 241.722 0.888 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H](O)C1CC1 ZINC000783561482 585836873 /nfs/dbraw/zinc/83/68/73/585836873.db2.gz PWBSRYLDDRAQKH-SNVBAGLBSA-N 1 2 224.260 0.587 20 0 BCADLO NC(=O)C1(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000783605669 585838229 /nfs/dbraw/zinc/83/82/29/585838229.db2.gz ULHAPUDUJNWZIM-UHFFFAOYSA-N 1 2 237.259 0.082 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccn1C ZINC000783733878 585841178 /nfs/dbraw/zinc/84/11/78/585841178.db2.gz PCTRTEWTDKEWCX-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccn1C ZINC000783733878 585841179 /nfs/dbraw/zinc/84/11/79/585841179.db2.gz PCTRTEWTDKEWCX-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@H]1C[C@@H](C(=O)OCC[NH+]2CCOCC2)CO1 ZINC000784276362 585853347 /nfs/dbraw/zinc/85/33/47/585853347.db2.gz HWCIDFCRJVRNBO-WDEREUQCSA-N 1 2 243.303 0.287 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1CO ZINC000784243049 585853416 /nfs/dbraw/zinc/85/34/16/585853416.db2.gz IVARNTIGNJMJDN-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1CO ZINC000784243049 585853417 /nfs/dbraw/zinc/85/34/17/585853417.db2.gz IVARNTIGNJMJDN-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000784384635 585857433 /nfs/dbraw/zinc/85/74/33/585857433.db2.gz PXRPLILQNHQEOO-WDEREUQCSA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000784384635 585857434 /nfs/dbraw/zinc/85/74/34/585857434.db2.gz PXRPLILQNHQEOO-WDEREUQCSA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000784535352 585862643 /nfs/dbraw/zinc/86/26/43/585862643.db2.gz VCCACVIHGXSFBA-QWRGUYRKSA-N 1 2 246.326 0.506 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000784535352 585862644 /nfs/dbraw/zinc/86/26/44/585862644.db2.gz VCCACVIHGXSFBA-QWRGUYRKSA-N 1 2 246.326 0.506 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)C1(CCO)CC1 ZINC000784770216 585865821 /nfs/dbraw/zinc/86/58/21/585865821.db2.gz ASCDXUVWEUCAIU-UHFFFAOYSA-N 1 2 238.287 0.979 20 0 BCADLO CC(C)OCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784916030 585868643 /nfs/dbraw/zinc/86/86/43/585868643.db2.gz ARVPDTCTVLDYKY-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](CC)CO)c1[nH]cc[nH+]1 ZINC000785420805 585873450 /nfs/dbraw/zinc/87/34/50/585873450.db2.gz DRHTYMYBYGNSCA-DTWKUNHWSA-N 1 2 225.292 0.996 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cncc(C)c1 ZINC000785441570 585873898 /nfs/dbraw/zinc/87/38/98/585873898.db2.gz KYXLQFYFBQPONP-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cncc(C)c1 ZINC000785441570 585873899 /nfs/dbraw/zinc/87/38/99/585873899.db2.gz KYXLQFYFBQPONP-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCCOCC1 ZINC000785505545 585874997 /nfs/dbraw/zinc/87/49/97/585874997.db2.gz IQRUYWYTHZHHNM-UHFFFAOYSA-N 1 2 247.298 0.717 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCCOCC1 ZINC000785505545 585874998 /nfs/dbraw/zinc/87/49/98/585874998.db2.gz IQRUYWYTHZHHNM-UHFFFAOYSA-N 1 2 247.298 0.717 20 0 BCADLO CN(C)c1cc(COC(=O)C2COC2)cc[nH+]1 ZINC000785777061 585880754 /nfs/dbraw/zinc/88/07/54/585880754.db2.gz UMCRDMDUVJCZIT-UHFFFAOYSA-N 1 2 236.271 0.837 20 0 BCADLO CC(C)([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000786173341 585888314 /nfs/dbraw/zinc/88/83/14/585888314.db2.gz IPHDIILHIBMOFE-UHFFFAOYSA-N 1 2 240.307 0.805 20 0 BCADLO Cn1ncc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000786502143 585892904 /nfs/dbraw/zinc/89/29/04/585892904.db2.gz IGWOVMKVFQYQRS-SECBINFHSA-N 1 2 246.274 0.516 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H](NC=O)C(C)C ZINC000859269781 589026518 /nfs/dbraw/zinc/02/65/18/589026518.db2.gz UKSHFTSYWMBTGG-NSHDSACASA-N 1 2 235.287 0.521 20 0 BCADLO C[C@@H](O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000786740203 585896944 /nfs/dbraw/zinc/89/69/44/585896944.db2.gz WNIOHBGUJKFIKC-SECBINFHSA-N 1 2 246.270 0.264 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cn[nH]c1 ZINC000787105564 585901336 /nfs/dbraw/zinc/90/13/36/585901336.db2.gz OZAYOLDYTYOPTN-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(F)F)CCO1 ZINC000787285335 585904861 /nfs/dbraw/zinc/90/48/61/585904861.db2.gz YHPUGACXXQPJNA-SSDOTTSWSA-N 1 2 222.235 0.088 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(F)F)CCO1 ZINC000787285335 585904862 /nfs/dbraw/zinc/90/48/62/585904862.db2.gz YHPUGACXXQPJNA-SSDOTTSWSA-N 1 2 222.235 0.088 20 0 BCADLO Cc1nnsc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000787998801 585918616 /nfs/dbraw/zinc/91/86/16/585918616.db2.gz CKVQYMOOMIUWCT-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnsc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000787998801 585918617 /nfs/dbraw/zinc/91/86/17/585918617.db2.gz CKVQYMOOMIUWCT-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO CC(=O)OCCC[S@](=O)Cc1c[nH+]cn1C ZINC000788395780 585922444 /nfs/dbraw/zinc/92/24/44/585922444.db2.gz BMJIWEKNQPQQMI-INIZCTEOSA-N 1 2 244.316 0.622 20 0 BCADLO CCONC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000789202302 585936745 /nfs/dbraw/zinc/93/67/45/585936745.db2.gz DFBUHMZOIWSXQY-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO COC[C@H]([NH2+]Cc1nonc1C)[C@H]1CCCO1 ZINC000789382148 585941982 /nfs/dbraw/zinc/94/19/82/585941982.db2.gz JTWKYJUTNZAHCZ-WDEREUQCSA-N 1 2 241.291 0.662 20 0 BCADLO NC(=[NH+]OCC1OCCO1)[C@@H]1CCCO1 ZINC000789606991 585943944 /nfs/dbraw/zinc/94/39/44/585943944.db2.gz AWTGQXRAEXRPFF-ZETCQYMHSA-N 1 2 216.237 0.037 20 0 BCADLO NC(=[NH+]OCCC1OCCCO1)[C@H]1CCCO1 ZINC000789605336 585945803 /nfs/dbraw/zinc/94/58/03/585945803.db2.gz FWCXALRRSHVWID-SECBINFHSA-N 1 2 244.291 0.817 20 0 BCADLO COC[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000789604257 585945815 /nfs/dbraw/zinc/94/58/15/585945815.db2.gz ALIVRJKTPBCAIE-SFYZADRCSA-N 1 2 202.254 0.699 20 0 BCADLO CN(C(=O)CO[NH+]=C(N)[C@@H]1CCCO1)C1CC1 ZINC000789613040 585946726 /nfs/dbraw/zinc/94/67/26/585946726.db2.gz TTZOQQDFBBMKJL-VIFPVBQESA-N 1 2 241.291 0.285 20 0 BCADLO Cc1nn(C)cc1C(=O)OCCc1c[nH+]cn1C ZINC000789777254 585949650 /nfs/dbraw/zinc/94/96/50/585949650.db2.gz RDTNIVVLWHJXLR-UHFFFAOYSA-N 1 2 248.286 0.862 20 0 BCADLO Cc1n[nH]nc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000789904641 585952447 /nfs/dbraw/zinc/95/24/47/585952447.db2.gz VGQCGSWEICAUDU-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO O=C(CC[NH+]1CCOCC1)Nc1cnns1 ZINC000789910793 585952813 /nfs/dbraw/zinc/95/28/13/585952813.db2.gz MERYRRMXZSTUHB-UHFFFAOYSA-N 1 2 242.304 0.199 20 0 BCADLO Cc1nn[nH]c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000789956307 585954844 /nfs/dbraw/zinc/95/48/44/585954844.db2.gz DAFIWFTYMLQXET-MRVPVSSYSA-N 1 2 248.290 0.376 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000790009777 585956010 /nfs/dbraw/zinc/95/60/10/585956010.db2.gz NBMWSVIWQSCGQY-SFYZADRCSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000790009777 585956011 /nfs/dbraw/zinc/95/60/11/585956011.db2.gz NBMWSVIWQSCGQY-SFYZADRCSA-N 1 2 237.307 0.278 20 0 BCADLO C/C=C\C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790130961 585958471 /nfs/dbraw/zinc/95/84/71/585958471.db2.gz CBUFBBQDSPKSBQ-DOGVGXBMSA-N 1 2 226.320 0.742 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000790555081 585966004 /nfs/dbraw/zinc/96/60/04/585966004.db2.gz NDFAACRYHPZVMW-LPEHRKFASA-N 1 2 243.303 0.869 20 0 BCADLO Cc1[nH]ncc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000805937455 585970589 /nfs/dbraw/zinc/97/05/89/585970589.db2.gz BVFLIMOKUZMELB-SECBINFHSA-N 1 2 241.266 0.919 20 0 BCADLO Cc1[nH]ncc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000805937455 585970590 /nfs/dbraw/zinc/97/05/90/585970590.db2.gz BVFLIMOKUZMELB-SECBINFHSA-N 1 2 241.266 0.919 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cnns1 ZINC000859279565 589026973 /nfs/dbraw/zinc/02/69/73/589026973.db2.gz BPHVORKSALHULM-SECBINFHSA-N 1 2 245.348 0.756 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cnns1 ZINC000859279565 589026974 /nfs/dbraw/zinc/02/69/74/589026974.db2.gz BPHVORKSALHULM-SECBINFHSA-N 1 2 245.348 0.756 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@H](C2CC2)O1 ZINC000791552753 585983220 /nfs/dbraw/zinc/98/32/20/585983220.db2.gz KETJWOSPIFUHHV-MWLCHTKSSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@H](C2CC2)O1 ZINC000791552753 585983221 /nfs/dbraw/zinc/98/32/21/585983221.db2.gz KETJWOSPIFUHHV-MWLCHTKSSA-N 1 2 227.304 0.859 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000791551449 585983717 /nfs/dbraw/zinc/98/37/17/585983717.db2.gz AFNAAIBJALEWLF-GXSJLCMTSA-N 1 2 242.319 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000791551449 585983718 /nfs/dbraw/zinc/98/37/18/585983718.db2.gz AFNAAIBJALEWLF-GXSJLCMTSA-N 1 2 242.319 0.506 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](CC1OCCO1)CCO2 ZINC000791587619 585984972 /nfs/dbraw/zinc/98/49/72/585984972.db2.gz ICDMOMLGQDEXCE-CMPLNLGQSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC1OCCO1)CCO2 ZINC000791587619 585984973 /nfs/dbraw/zinc/98/49/73/585984973.db2.gz ICDMOMLGQDEXCE-CMPLNLGQSA-N 1 2 243.303 0.239 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2COCCO2)cc[nH+]1 ZINC000791713044 585986642 /nfs/dbraw/zinc/98/66/42/585986642.db2.gz NHBZOHGMLUQSKF-VIFPVBQESA-N 1 2 238.243 0.122 20 0 BCADLO COC[C@@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791950117 585992231 /nfs/dbraw/zinc/99/22/31/585992231.db2.gz LPMPFTXVGYIBOE-LLVKDONJSA-N 1 2 240.259 0.104 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000791952631 585992379 /nfs/dbraw/zinc/99/23/79/585992379.db2.gz WPXSTHBKUZXIOW-VHSXEESVSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000791952634 585992409 /nfs/dbraw/zinc/99/24/09/585992409.db2.gz WPXSTHBKUZXIOW-ZJUUUORDSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCNC(=O)C2)cc[nH+]1 ZINC000792024147 585993989 /nfs/dbraw/zinc/99/39/89/585993989.db2.gz NJMHDJXWNVBRFY-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO Nc1cc(COC(=O)C2(CCO)CC2)cc[nH+]1 ZINC000792140809 585996583 /nfs/dbraw/zinc/99/65/83/585996583.db2.gz LFLBVGBFXZREMZ-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO Nc1cc(COC(=O)Cc2ccon2)cc[nH+]1 ZINC000792203348 585997698 /nfs/dbraw/zinc/99/76/98/585997698.db2.gz WYONGZMLPULIDG-UHFFFAOYSA-N 1 2 233.227 0.938 20 0 BCADLO CC(C)n1nccc1C[N@@H+]1CCCNC(=O)C1 ZINC000792797659 586005449 /nfs/dbraw/zinc/00/54/49/586005449.db2.gz ZESLSFNICNYUDR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(C)n1nccc1C[N@H+]1CCCNC(=O)C1 ZINC000792797659 586005450 /nfs/dbraw/zinc/00/54/50/586005450.db2.gz ZESLSFNICNYUDR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1CCOC1 ZINC000793253235 586015002 /nfs/dbraw/zinc/01/50/02/586015002.db2.gz NPMSSTGXUVWUBW-JTQLQIEISA-N 1 2 238.287 0.932 20 0 BCADLO Cc1cnc(C(=O)OCCc2c[nH+]cn2C)cn1 ZINC000793250054 586015151 /nfs/dbraw/zinc/01/51/51/586015151.db2.gz LMYFBPKONVTOGB-UHFFFAOYSA-N 1 2 246.270 0.918 20 0 BCADLO O[C@H](C[N@@H+]1CCc2nc[nH]c2C1)c1ccccn1 ZINC000859307236 589030141 /nfs/dbraw/zinc/03/01/41/589030141.db2.gz PZFKDZODUHBCIK-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@H](C[N@H+]1CCc2nc[nH]c2C1)c1ccccn1 ZINC000859307236 589030143 /nfs/dbraw/zinc/03/01/43/589030143.db2.gz PZFKDZODUHBCIK-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@H]1CCCOC1 ZINC000793415204 586018793 /nfs/dbraw/zinc/01/87/93/586018793.db2.gz BDUVOYSFPDFBJB-SNVBAGLBSA-N 1 2 237.303 0.853 20 0 BCADLO O=C(CC1OCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000793511022 586021142 /nfs/dbraw/zinc/02/11/42/586021142.db2.gz ZVZAIRBFNVKETJ-UHFFFAOYSA-N 1 2 237.259 0.029 20 0 BCADLO COC/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000793588745 586023456 /nfs/dbraw/zinc/02/34/56/586023456.db2.gz LYHWNYFOVJDIPH-XADBCAIWSA-N 1 2 235.287 0.586 20 0 BCADLO COCC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000793588745 586023457 /nfs/dbraw/zinc/02/34/57/586023457.db2.gz LYHWNYFOVJDIPH-XADBCAIWSA-N 1 2 235.287 0.586 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NOCC(F)(F)F ZINC000793680152 586024858 /nfs/dbraw/zinc/02/48/58/586024858.db2.gz LDNLQVOVFSVFRI-UHFFFAOYSA-N 1 2 237.181 0.952 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NOCC(F)(F)F ZINC000793680152 586024859 /nfs/dbraw/zinc/02/48/59/586024859.db2.gz LDNLQVOVFSVFRI-UHFFFAOYSA-N 1 2 237.181 0.952 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](CO)C1CC1 ZINC000793765763 586025985 /nfs/dbraw/zinc/02/59/85/586025985.db2.gz MFGLLCIFSPTFEZ-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](CO)C1CC1 ZINC000793765763 586025986 /nfs/dbraw/zinc/02/59/86/586025986.db2.gz MFGLLCIFSPTFEZ-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@](C)([NH2+]CCN1CCOC1=O)C(=O)OC ZINC000794452887 586040123 /nfs/dbraw/zinc/04/01/23/586040123.db2.gz HTNZLSZDEVEXJI-NSHDSACASA-N 1 2 244.291 0.370 20 0 BCADLO CC[C@@](C)([NH2+]CCC(=O)N(C)OC)C(=O)OC ZINC000794454916 586040200 /nfs/dbraw/zinc/04/02/00/586040200.db2.gz ZZRLOGFJJHGVFC-LLVKDONJSA-N 1 2 246.307 0.328 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521776 586041926 /nfs/dbraw/zinc/04/19/26/586041926.db2.gz GPEUUBNUOWUCQW-YUMQZZPRSA-N 1 2 202.254 0.699 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cnnc1)CCO2 ZINC000794669760 586046346 /nfs/dbraw/zinc/04/63/46/586046346.db2.gz TYTAKZJCGGYWQZ-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cnnc1)CCO2 ZINC000794669760 586046347 /nfs/dbraw/zinc/04/63/47/586046347.db2.gz TYTAKZJCGGYWQZ-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@@H]21 ZINC000794986998 586061865 /nfs/dbraw/zinc/06/18/65/586061865.db2.gz OUOVZKHQZPMOMV-JZYVYDRUSA-N 1 2 236.271 0.834 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@@H]21 ZINC000794986998 586061867 /nfs/dbraw/zinc/06/18/67/586061867.db2.gz OUOVZKHQZPMOMV-JZYVYDRUSA-N 1 2 236.271 0.834 20 0 BCADLO Cc1ccoc1C[N@H+](C)CCS(N)(=O)=O ZINC000795152573 586069663 /nfs/dbraw/zinc/06/96/63/586069663.db2.gz TVHCCIYRMLSOHW-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO Cc1ccoc1C[N@@H+](C)CCS(N)(=O)=O ZINC000795152573 586069666 /nfs/dbraw/zinc/06/96/66/586069666.db2.gz TVHCCIYRMLSOHW-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1cnc(C)nc1 ZINC000795214470 586072223 /nfs/dbraw/zinc/07/22/23/586072223.db2.gz IYLAQRFQPOCRKV-SSDOTTSWSA-N 1 2 224.264 0.818 20 0 BCADLO COCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795654112 586090038 /nfs/dbraw/zinc/09/00/38/586090038.db2.gz SQKJYHPXTKCWRT-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795654112 586090039 /nfs/dbraw/zinc/09/00/39/586090039.db2.gz SQKJYHPXTKCWRT-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO C[N@H+](CCn1cccn1)[C@H]1CC(C)(C)OC1=O ZINC000795663022 586090270 /nfs/dbraw/zinc/09/02/70/586090270.db2.gz WPYDBZCLKWCXJN-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@H]1CC(C)(C)OC1=O ZINC000795663022 586090271 /nfs/dbraw/zinc/09/02/71/586090271.db2.gz WPYDBZCLKWCXJN-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000796204553 586098608 /nfs/dbraw/zinc/09/86/08/586098608.db2.gz GZQROABUYYGGNS-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000796204553 586098609 /nfs/dbraw/zinc/09/86/09/586098609.db2.gz GZQROABUYYGGNS-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+]1CCN(CCS(=O)(=O)CC)[C@@H](C)C1 ZINC000796315211 586100368 /nfs/dbraw/zinc/10/03/68/586100368.db2.gz HQUOFMYTNXVJHS-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[N@H+]1CCN(CCS(=O)(=O)CC)[C@@H](C)C1 ZINC000796315211 586100369 /nfs/dbraw/zinc/10/03/69/586100369.db2.gz HQUOFMYTNXVJHS-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2CCO)n1 ZINC000796451562 586103595 /nfs/dbraw/zinc/10/35/95/586103595.db2.gz XWRYURALOBQTEI-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2CCO)n1 ZINC000796451562 586103596 /nfs/dbraw/zinc/10/35/96/586103596.db2.gz XWRYURALOBQTEI-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO CN(C)c1nccc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000796451728 586103751 /nfs/dbraw/zinc/10/37/51/586103751.db2.gz XYKPNNCNIDEBFQ-UHFFFAOYSA-N 1 2 246.318 0.898 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)C1CC1 ZINC000796497933 586104965 /nfs/dbraw/zinc/10/49/65/586104965.db2.gz HIZJNCUIVUIUBN-MRVPVSSYSA-N 1 2 213.277 0.849 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000796497933 586104966 /nfs/dbraw/zinc/10/49/66/586104966.db2.gz HIZJNCUIVUIUBN-MRVPVSSYSA-N 1 2 213.277 0.849 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000796498904 586105087 /nfs/dbraw/zinc/10/50/87/586105087.db2.gz QCCQZDQJKAVTTE-BDAKNGLRSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000796498904 586105088 /nfs/dbraw/zinc/10/50/88/586105088.db2.gz QCCQZDQJKAVTTE-BDAKNGLRSA-N 1 2 241.287 0.575 20 0 BCADLO CNC(=O)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796541991 586106293 /nfs/dbraw/zinc/10/62/93/586106293.db2.gz QUFPUXSEZYHWJT-UHFFFAOYSA-N 1 2 235.234 0.173 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(F)(F)CC2)nc1=O ZINC000796541164 586106317 /nfs/dbraw/zinc/10/63/17/586106317.db2.gz FROJIIATNBAVHV-UHFFFAOYSA-N 1 2 232.234 0.340 20 0 BCADLO C[C@H]1C[N@H+](CCF)C[C@]2(CCOC2)O1 ZINC000796555902 586106754 /nfs/dbraw/zinc/10/67/54/586106754.db2.gz MSJKUPZBDHVZGY-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@H]1C[N@@H+](CCF)C[C@]2(CCOC2)O1 ZINC000796555902 586106755 /nfs/dbraw/zinc/10/67/55/586106755.db2.gz MSJKUPZBDHVZGY-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@H](C)OC ZINC000796638325 586108866 /nfs/dbraw/zinc/10/88/66/586108866.db2.gz DKXQNBMOJLNECH-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@H](C)OC ZINC000796638325 586108867 /nfs/dbraw/zinc/10/88/67/586108867.db2.gz DKXQNBMOJLNECH-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO Cn1c[nH+]cc1COC(=O)COC(F)F ZINC000797106105 586120441 /nfs/dbraw/zinc/12/04/41/586120441.db2.gz UPZKMCVUNUAPSI-UHFFFAOYSA-N 1 2 220.175 0.703 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)[C@@H](C)CO1 ZINC000798192319 586138966 /nfs/dbraw/zinc/13/89/66/586138966.db2.gz BZWAQHBKJMYDMT-IGJMFERPSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)[C@@H](C)CO1 ZINC000798192319 586138967 /nfs/dbraw/zinc/13/89/67/586138967.db2.gz BZWAQHBKJMYDMT-IGJMFERPSA-N 1 2 205.323 0.474 20 0 BCADLO O=C1CC[C@H]([N@@H+]2CCC=C(F)C2)C(=O)N1 ZINC000799150272 586162370 /nfs/dbraw/zinc/16/23/70/586162370.db2.gz MPDHIUOYEPCEOU-QMMMGPOBSA-N 1 2 212.224 0.351 20 0 BCADLO O=C1CC[C@H]([N@H+]2CCC=C(F)C2)C(=O)N1 ZINC000799150272 586162372 /nfs/dbraw/zinc/16/23/72/586162372.db2.gz MPDHIUOYEPCEOU-QMMMGPOBSA-N 1 2 212.224 0.351 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1F ZINC000799159848 586162635 /nfs/dbraw/zinc/16/26/35/586162635.db2.gz BVUXKFXNSXQPSG-IWSPIJDZSA-N 1 2 228.267 0.472 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1F ZINC000799159848 586162637 /nfs/dbraw/zinc/16/26/37/586162637.db2.gz BVUXKFXNSXQPSG-IWSPIJDZSA-N 1 2 228.267 0.472 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799166971 586163743 /nfs/dbraw/zinc/16/37/43/586163743.db2.gz LQXGFLROJBJWJN-JOYOIKCWSA-N 1 2 240.303 0.293 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799166971 586163744 /nfs/dbraw/zinc/16/37/44/586163744.db2.gz LQXGFLROJBJWJN-JOYOIKCWSA-N 1 2 240.303 0.293 20 0 BCADLO COc1ncc(CO[NH+]=C(N)CCO)c(C)n1 ZINC000799176006 586164944 /nfs/dbraw/zinc/16/49/44/586164944.db2.gz AHONGOSKWVZVPG-UHFFFAOYSA-N 1 2 240.263 0.174 20 0 BCADLO Cc1ccnn1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000859319010 589031438 /nfs/dbraw/zinc/03/14/38/589031438.db2.gz KPQWALCTYMQKHF-UHFFFAOYSA-N 1 2 233.275 0.274 20 0 BCADLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1nnn(C)n1 ZINC000799308559 586171339 /nfs/dbraw/zinc/17/13/39/586171339.db2.gz NOCKWPUJMQVALD-SNVBAGLBSA-N 1 2 241.295 0.032 20 0 BCADLO CN(CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC000799794880 586196773 /nfs/dbraw/zinc/19/67/73/586196773.db2.gz DLVZRMKWWMZQOQ-UHFFFAOYSA-N 1 2 233.271 0.789 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800466553 586221558 /nfs/dbraw/zinc/22/15/58/586221558.db2.gz ORAZVHLNNUNDND-VIFPVBQESA-N 1 2 219.306 0.084 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800466553 586221561 /nfs/dbraw/zinc/22/15/61/586221561.db2.gz ORAZVHLNNUNDND-VIFPVBQESA-N 1 2 219.306 0.084 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CNC(=O)O1 ZINC000801269808 586250630 /nfs/dbraw/zinc/25/06/30/586250630.db2.gz LSKPOWMFQBYRMP-DTWKUNHWSA-N 1 2 242.275 0.122 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CNC(=O)O1 ZINC000801269808 586250632 /nfs/dbraw/zinc/25/06/32/586250632.db2.gz LSKPOWMFQBYRMP-DTWKUNHWSA-N 1 2 242.275 0.122 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CNC(=O)O1 ZINC000801269812 586251021 /nfs/dbraw/zinc/25/10/21/586251021.db2.gz LSKPOWMFQBYRMP-RKDXNWHRSA-N 1 2 242.275 0.122 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CNC(=O)O1 ZINC000801269812 586251022 /nfs/dbraw/zinc/25/10/22/586251022.db2.gz LSKPOWMFQBYRMP-RKDXNWHRSA-N 1 2 242.275 0.122 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559571 586261676 /nfs/dbraw/zinc/26/16/76/586261676.db2.gz CBGPRRLPYRAAFY-VIFPVBQESA-N 1 2 236.262 0.479 20 0 BCADLO CC(=O)NCCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559571 586261677 /nfs/dbraw/zinc/26/16/77/586261677.db2.gz CBGPRRLPYRAAFY-VIFPVBQESA-N 1 2 236.262 0.479 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801560062 586262498 /nfs/dbraw/zinc/26/24/98/586262498.db2.gz NRQPOSAQKIZKQQ-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801560062 586262500 /nfs/dbraw/zinc/26/25/00/586262500.db2.gz NRQPOSAQKIZKQQ-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO FC(F)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000801562983 586263397 /nfs/dbraw/zinc/26/33/97/586263397.db2.gz JJWCORPQRVNIKX-QMMMGPOBSA-N 1 2 217.219 0.876 20 0 BCADLO FC(F)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000801562983 586263398 /nfs/dbraw/zinc/26/33/98/586263398.db2.gz JJWCORPQRVNIKX-QMMMGPOBSA-N 1 2 217.219 0.876 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562857 586263517 /nfs/dbraw/zinc/26/35/17/586263517.db2.gz GWUNABNHCJNHKT-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562857 586263519 /nfs/dbraw/zinc/26/35/19/586263519.db2.gz GWUNABNHCJNHKT-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO FC(F)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000801567250 586264194 /nfs/dbraw/zinc/26/41/94/586264194.db2.gz SEGDGESKLOMHSM-ZETCQYMHSA-N 1 2 217.219 0.876 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@H](C(F)F)C1 ZINC000801567165 586264766 /nfs/dbraw/zinc/26/47/66/586264766.db2.gz RFIVSTXPRSICOF-QMMMGPOBSA-N 1 2 231.246 0.886 20 0 BCADLO CCC[N@H+](CCF)[C@H]1CC(=O)N(C)C1=O ZINC000801586267 586265467 /nfs/dbraw/zinc/26/54/67/586265467.db2.gz NADIAUZFVIMRHN-QMMMGPOBSA-N 1 2 216.256 0.425 20 0 BCADLO CCC[N@@H+](CCF)[C@H]1CC(=O)N(C)C1=O ZINC000801586267 586265468 /nfs/dbraw/zinc/26/54/68/586265468.db2.gz NADIAUZFVIMRHN-QMMMGPOBSA-N 1 2 216.256 0.425 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944349 586282005 /nfs/dbraw/zinc/28/20/05/586282005.db2.gz UACOHMVBVRKIKF-VHSXEESVSA-N 1 2 237.299 0.993 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944349 586282006 /nfs/dbraw/zinc/28/20/06/586282006.db2.gz UACOHMVBVRKIKF-VHSXEESVSA-N 1 2 237.299 0.993 20 0 BCADLO O=C1c2nccnc2C(=O)N1C[NH+]1CCCCC1 ZINC000839949000 586284587 /nfs/dbraw/zinc/28/45/87/586284587.db2.gz IKOLDMQWBLWJFS-UHFFFAOYSA-N 1 2 246.270 0.516 20 0 BCADLO O=C1O[C@@H](C[N@@H+]2CCOCC23CC3)CC12CC2 ZINC000801981975 586285412 /nfs/dbraw/zinc/28/54/12/586285412.db2.gz YEKJIMCZWHANJI-SNVBAGLBSA-N 1 2 237.299 0.947 20 0 BCADLO O=C1O[C@@H](C[N@H+]2CCOCC23CC3)CC12CC2 ZINC000801981975 586285414 /nfs/dbraw/zinc/28/54/14/586285414.db2.gz YEKJIMCZWHANJI-SNVBAGLBSA-N 1 2 237.299 0.947 20 0 BCADLO Cn1nccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802243060 586299045 /nfs/dbraw/zinc/29/90/45/586299045.db2.gz WWASEFBYHXQRKN-SECBINFHSA-N 1 2 241.266 0.621 20 0 BCADLO Cn1nccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802243060 586299047 /nfs/dbraw/zinc/29/90/47/586299047.db2.gz WWASEFBYHXQRKN-SECBINFHSA-N 1 2 241.266 0.621 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000839960837 586301203 /nfs/dbraw/zinc/30/12/03/586301203.db2.gz SAUSSUMFKYHSOZ-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000839960837 586301204 /nfs/dbraw/zinc/30/12/04/586301204.db2.gz SAUSSUMFKYHSOZ-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000839960835 586301395 /nfs/dbraw/zinc/30/13/95/586301395.db2.gz SAUSSUMFKYHSOZ-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000839960835 586301397 /nfs/dbraw/zinc/30/13/97/586301397.db2.gz SAUSSUMFKYHSOZ-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO C[N@H+](CCn1cccn1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839998596 586348017 /nfs/dbraw/zinc/34/80/17/586348017.db2.gz SKWWLYHKSQRDDB-NEPJUHHUSA-N 1 2 248.330 0.783 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839998596 586348021 /nfs/dbraw/zinc/34/80/21/586348021.db2.gz SKWWLYHKSQRDDB-NEPJUHHUSA-N 1 2 248.330 0.783 20 0 BCADLO COCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495601 586358296 /nfs/dbraw/zinc/35/82/96/586358296.db2.gz RFZLJPXUJSVBLV-SNVBAGLBSA-N 1 2 231.292 0.331 20 0 BCADLO COC/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336902 586391297 /nfs/dbraw/zinc/39/12/97/586391297.db2.gz RVDKOGSFOXKZBM-VMZHVLLKSA-N 1 2 235.287 0.517 20 0 BCADLO COC/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336898 586391449 /nfs/dbraw/zinc/39/14/49/586391449.db2.gz RVDKOGSFOXKZBM-MXQLGCADSA-N 1 2 235.287 0.517 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336940 586391707 /nfs/dbraw/zinc/39/17/07/586391707.db2.gz RVMMLHASEBSIPB-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CCSC1=S ZINC000840082998 586423381 /nfs/dbraw/zinc/42/33/81/586423381.db2.gz JPXMSUYNGRQEIF-QMMMGPOBSA-N 1 2 232.374 0.998 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CCSC1=S ZINC000840082998 586423382 /nfs/dbraw/zinc/42/33/82/586423382.db2.gz JPXMSUYNGRQEIF-QMMMGPOBSA-N 1 2 232.374 0.998 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000807192207 586425072 /nfs/dbraw/zinc/42/50/72/586425072.db2.gz FCBISTWFTMKMJZ-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOCC(F)F ZINC000807246152 586428449 /nfs/dbraw/zinc/42/84/49/586428449.db2.gz OMYHCHODXUNVRZ-UHFFFAOYSA-N 1 2 219.191 0.276 20 0 BCADLO CSCCONC(=O)CCc1[nH]cc[nH+]1 ZINC000807451172 586444847 /nfs/dbraw/zinc/44/48/47/586444847.db2.gz FIZOALGPALJHDZ-UHFFFAOYSA-N 1 2 229.305 0.753 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000840102577 586446602 /nfs/dbraw/zinc/44/66/02/586446602.db2.gz SIOCKYISNZYHEK-DTWKUNHWSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000840102577 586446603 /nfs/dbraw/zinc/44/66/03/586446603.db2.gz SIOCKYISNZYHEK-DTWKUNHWSA-N 1 2 200.257 0.856 20 0 BCADLO CC[C@H]1CCC[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808153535 586464496 /nfs/dbraw/zinc/46/44/96/586464496.db2.gz JZHHUWXCPCYALO-VIFPVBQESA-N 1 2 237.307 0.607 20 0 BCADLO CC[C@H]1CCC[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808153535 586464497 /nfs/dbraw/zinc/46/44/97/586464497.db2.gz JZHHUWXCPCYALO-VIFPVBQESA-N 1 2 237.307 0.607 20 0 BCADLO CC(C)C[N@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808145083 586464749 /nfs/dbraw/zinc/46/47/49/586464749.db2.gz MLAXXACRIRKUGD-UHFFFAOYSA-N 1 2 225.296 0.320 20 0 BCADLO CC(C)C[N@@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808145083 586464751 /nfs/dbraw/zinc/46/47/51/586464751.db2.gz MLAXXACRIRKUGD-UHFFFAOYSA-N 1 2 225.296 0.320 20 0 BCADLO COCCOCC[N@H+](C)Cn1cc[nH]c1=S ZINC000808237566 586467942 /nfs/dbraw/zinc/46/79/42/586467942.db2.gz WTMOIXZCTQNURW-UHFFFAOYSA-N 1 2 245.348 0.724 20 0 BCADLO COCCOCC[N@@H+](C)Cn1cc[nH]c1=S ZINC000808237566 586467943 /nfs/dbraw/zinc/46/79/43/586467943.db2.gz WTMOIXZCTQNURW-UHFFFAOYSA-N 1 2 245.348 0.724 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(F)F)CC[N@@H+]1CCO ZINC000808467071 586475291 /nfs/dbraw/zinc/47/52/91/586475291.db2.gz UIDMHHQBXUKEFZ-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(F)F)CC[N@H+]1CCO ZINC000808467071 586475293 /nfs/dbraw/zinc/47/52/93/586475293.db2.gz UIDMHHQBXUKEFZ-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCC(=O)C(C)C)CCO1 ZINC000808717647 586483688 /nfs/dbraw/zinc/48/36/88/586483688.db2.gz KJDUFFQBFMUJCO-LLVKDONJSA-N 1 2 243.303 0.475 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCC(=O)C(C)C)CCO1 ZINC000808717647 586483689 /nfs/dbraw/zinc/48/36/89/586483689.db2.gz KJDUFFQBFMUJCO-LLVKDONJSA-N 1 2 243.303 0.475 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)C(C)C ZINC000808724736 586484430 /nfs/dbraw/zinc/48/44/30/586484430.db2.gz IKWZLFKPFLHASM-ZJUUUORDSA-N 1 2 243.303 0.210 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)C(C)C ZINC000808724736 586484431 /nfs/dbraw/zinc/48/44/31/586484431.db2.gz IKWZLFKPFLHASM-ZJUUUORDSA-N 1 2 243.303 0.210 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)OC)C(C)C ZINC000808746754 586487462 /nfs/dbraw/zinc/48/74/62/586487462.db2.gz UVFYJAYEQBGHMA-JTQLQIEISA-N 1 2 246.307 0.184 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808751215 586488025 /nfs/dbraw/zinc/48/80/25/586488025.db2.gz UFHXSPQQYQABKK-GHMZBOCLSA-N 1 2 245.319 0.005 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808751215 586488027 /nfs/dbraw/zinc/48/80/27/586488027.db2.gz UFHXSPQQYQABKK-GHMZBOCLSA-N 1 2 245.319 0.005 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000808750045 586488150 /nfs/dbraw/zinc/48/81/50/586488150.db2.gz FTGILLDMLALHKE-WCBMZHEXSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000808750045 586488152 /nfs/dbraw/zinc/48/81/52/586488152.db2.gz FTGILLDMLALHKE-WCBMZHEXSA-N 1 2 228.317 0.318 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751218 586488176 /nfs/dbraw/zinc/48/81/76/586488176.db2.gz UFHXSPQQYQABKK-WDEREUQCSA-N 1 2 245.319 0.005 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751218 586488178 /nfs/dbraw/zinc/48/81/78/586488178.db2.gz UFHXSPQQYQABKK-WDEREUQCSA-N 1 2 245.319 0.005 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751634 586488426 /nfs/dbraw/zinc/48/84/26/586488426.db2.gz FYQKYULBQGIEMP-AXFHLTTASA-N 1 2 245.319 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751634 586488428 /nfs/dbraw/zinc/48/84/28/586488428.db2.gz FYQKYULBQGIEMP-AXFHLTTASA-N 1 2 245.319 0.003 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)s1 ZINC000808751787 586488462 /nfs/dbraw/zinc/48/84/62/586488462.db2.gz KRVFDXBCBPUCRQ-VHSXEESVSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)s1 ZINC000808751787 586488463 /nfs/dbraw/zinc/48/84/63/586488463.db2.gz KRVFDXBCBPUCRQ-VHSXEESVSA-N 1 2 242.344 0.627 20 0 BCADLO Cn1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000809745160 586516400 /nfs/dbraw/zinc/51/64/00/586516400.db2.gz DOXBCOUIDIJYGX-VIFPVBQESA-N 1 2 246.274 0.516 20 0 BCADLO Cn1ncc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000809935873 586524191 /nfs/dbraw/zinc/52/41/91/586524191.db2.gz ZEXZEXCOHZAIFL-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000809935873 586524193 /nfs/dbraw/zinc/52/41/93/586524193.db2.gz ZEXZEXCOHZAIFL-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[N@H+](C)CCc2cnccn2)n1 ZINC000809970114 586527190 /nfs/dbraw/zinc/52/71/90/586527190.db2.gz NVZPKGPWFHBBBV-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCc2cnccn2)n1 ZINC000809970114 586527192 /nfs/dbraw/zinc/52/71/92/586527192.db2.gz NVZPKGPWFHBBBV-UHFFFAOYSA-N 1 2 232.291 0.280 20 0 BCADLO CCOC1CC([N@H+](C)Cc2cnn(C)n2)C1 ZINC000810018690 586531356 /nfs/dbraw/zinc/53/13/56/586531356.db2.gz MHQIAYVUYRKJCH-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC1CC([N@@H+](C)Cc2cnn(C)n2)C1 ZINC000810018690 586531357 /nfs/dbraw/zinc/53/13/57/586531357.db2.gz MHQIAYVUYRKJCH-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO COC(=O)C(C)(C)CC[NH2+][C@]1(C)CCOC1=O ZINC000810096045 586533577 /nfs/dbraw/zinc/53/35/77/586533577.db2.gz CRADVWAOIQLVKD-GFCCVEGCSA-N 1 2 243.303 0.871 20 0 BCADLO C[C@@]1([NH2+]C[C@@H](O)Cc2ccccc2)CCOC1=O ZINC000810096069 586533982 /nfs/dbraw/zinc/53/39/82/586533982.db2.gz DBWMOSDYQFBFQN-GXTWGEPZSA-N 1 2 249.310 0.885 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1nccs1 ZINC000810755572 586546440 /nfs/dbraw/zinc/54/64/40/586546440.db2.gz VVGFYEDBXORJGB-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO C[NH+](C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810795515 586547681 /nfs/dbraw/zinc/54/76/81/586547681.db2.gz GGVGFAQQNCNXPL-LURJTMIESA-N 1 2 228.189 0.659 20 0 BCADLO C[NH+](C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000810795515 586547682 /nfs/dbraw/zinc/54/76/82/586547682.db2.gz GGVGFAQQNCNXPL-LURJTMIESA-N 1 2 228.189 0.659 20 0 BCADLO Cc1cn[nH]c1C[N@H+](CC(N)=O)C(C)(C)C ZINC000811465472 586559773 /nfs/dbraw/zinc/55/97/73/586559773.db2.gz WWAAKHHIJRBARV-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000811465472 586559774 /nfs/dbraw/zinc/55/97/74/586559774.db2.gz WWAAKHHIJRBARV-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO Cc1c[nH]nc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000811465472 586559775 /nfs/dbraw/zinc/55/97/75/586559775.db2.gz WWAAKHHIJRBARV-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000811465472 586559776 /nfs/dbraw/zinc/55/97/76/586559776.db2.gz WWAAKHHIJRBARV-UHFFFAOYSA-N 1 2 224.308 0.804 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]cn2C)co1 ZINC000811588166 586561419 /nfs/dbraw/zinc/56/14/19/586561419.db2.gz AHNRZIDGNNKJNL-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1c[nH+]cn1C ZINC000811589160 586561908 /nfs/dbraw/zinc/56/19/08/586561908.db2.gz NNQCJKYQFRSKKA-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO O=C1CCCN1CN1CCn2c[nH+]cc2C1 ZINC000811787633 586566601 /nfs/dbraw/zinc/56/66/01/586566601.db2.gz NNNRNCNCUHGUCY-UHFFFAOYSA-N 1 2 220.276 0.279 20 0 BCADLO CS/C=C/C(=O)NCc1c[nH+]cn1C ZINC000811925050 586568528 /nfs/dbraw/zinc/56/85/28/586568528.db2.gz ZDPAHZINXMYZPW-ONEGZZNKSA-N 1 2 211.290 0.913 20 0 BCADLO O=C(CCc1ncccn1)OCCn1cc[nH+]c1 ZINC000812606663 586580459 /nfs/dbraw/zinc/58/04/59/586580459.db2.gz MPQZBJSQQSINOF-UHFFFAOYSA-N 1 2 246.270 0.849 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NOC1CCC1 ZINC000812790551 586584990 /nfs/dbraw/zinc/58/49/90/586584990.db2.gz XDRGQLBDOMWSHA-UHFFFAOYSA-N 1 2 209.249 0.943 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NOC1CCC1 ZINC000812790551 586584991 /nfs/dbraw/zinc/58/49/91/586584991.db2.gz XDRGQLBDOMWSHA-UHFFFAOYSA-N 1 2 209.249 0.943 20 0 BCADLO CC(C)OCCONC(=O)Cc1c[nH+]cn1C ZINC000812803860 586586722 /nfs/dbraw/zinc/58/67/22/586586722.db2.gz ZENITJIVPIBONF-UHFFFAOYSA-N 1 2 241.291 0.435 20 0 BCADLO CC[N@H+](Cc1nonc1C)[C@H]1CCOC1 ZINC000812879748 586588361 /nfs/dbraw/zinc/58/83/61/586588361.db2.gz TZLFOJSXOIUXDV-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nonc1C)[C@H]1CCOC1 ZINC000812879748 586588362 /nfs/dbraw/zinc/58/83/62/586588362.db2.gz TZLFOJSXOIUXDV-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC(C2CC2)C1 ZINC000813168582 586596520 /nfs/dbraw/zinc/59/65/20/586596520.db2.gz UOGCDMFJMYAZQT-UHFFFAOYSA-N 1 2 234.303 0.972 20 0 BCADLO C[C@]1(NC(=O)CCn2cc[nH+]c2)CCOC1=O ZINC000813293233 586598964 /nfs/dbraw/zinc/59/89/64/586598964.db2.gz GQOLAJJYYKZBHG-NSHDSACASA-N 1 2 237.259 0.095 20 0 BCADLO CN(C)c1cc(NCc2cnnn2C)[nH+]cn1 ZINC000813355050 586601069 /nfs/dbraw/zinc/60/10/69/586601069.db2.gz WDVRFCCQBBXGNH-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO CN(C)c1cc(NCc2cnnn2C)nc[nH+]1 ZINC000813355050 586601070 /nfs/dbraw/zinc/60/10/70/586601070.db2.gz WDVRFCCQBBXGNH-UHFFFAOYSA-N 1 2 233.279 0.283 20 0 BCADLO CN(C)c1cc(NCc2ccnn2C)[nH+]cn1 ZINC000813354857 586601105 /nfs/dbraw/zinc/60/11/05/586601105.db2.gz KBUDAMQDPPDXFC-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CN(C)c1cc(NCc2ccnn2C)nc[nH+]1 ZINC000813354857 586601106 /nfs/dbraw/zinc/60/11/06/586601106.db2.gz KBUDAMQDPPDXFC-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CCOc1ncccc1C[NH2+]Cc1cnn(C)n1 ZINC000815113639 586667249 /nfs/dbraw/zinc/66/72/49/586667249.db2.gz BIJVYIMKPHYLFE-UHFFFAOYSA-N 1 2 247.302 0.899 20 0 BCADLO CC(C)Cn1cc[nH+]c1CNCc1cnn(C)n1 ZINC000815126540 586667995 /nfs/dbraw/zinc/66/79/95/586667995.db2.gz BKYHVPRLCBLPMX-UHFFFAOYSA-N 1 2 248.334 0.957 20 0 BCADLO CCn1nc(C)c(C(=O)OCCn2cc[nH+]c2)n1 ZINC000815294758 586677586 /nfs/dbraw/zinc/67/75/86/586677586.db2.gz FMJYIQAIYMWZHY-UHFFFAOYSA-N 1 2 249.274 0.660 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)c1cc(F)c[nH]1 ZINC000815394158 586682599 /nfs/dbraw/zinc/68/25/99/586682599.db2.gz XFKAGUHMFPXPGS-UHFFFAOYSA-N 1 2 242.250 0.643 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000815574938 586687806 /nfs/dbraw/zinc/68/78/06/586687806.db2.gz GWMMAFHWPZGIBC-SNVBAGLBSA-N 1 2 247.298 0.667 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(F)F)CC[N@@H+]1C ZINC000815700789 586691945 /nfs/dbraw/zinc/69/19/45/586691945.db2.gz TUEZFQAQVSBANH-SSDOTTSWSA-N 1 2 206.236 0.804 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(F)F)CC[N@H+]1C ZINC000815700789 586691947 /nfs/dbraw/zinc/69/19/47/586691947.db2.gz TUEZFQAQVSBANH-SSDOTTSWSA-N 1 2 206.236 0.804 20 0 BCADLO CCn1ncc(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000815849218 586694913 /nfs/dbraw/zinc/69/49/13/586694913.db2.gz HCQYQNOVLBHHRA-UHFFFAOYSA-N 1 2 245.286 0.984 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910698 586697199 /nfs/dbraw/zinc/69/71/99/586697199.db2.gz DWGATTNSLOBKBG-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910698 586697200 /nfs/dbraw/zinc/69/72/00/586697200.db2.gz DWGATTNSLOBKBG-NXEZZACHSA-N 1 2 249.314 0.992 20 0 BCADLO O=C(Nc1c[nH]nn1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000816317154 586717229 /nfs/dbraw/zinc/71/72/29/586717229.db2.gz JUIFORMCYLBWQG-MRVPVSSYSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1c[nH]nn1)[C@H]1CCC[N@H+]1C1CC1 ZINC000816317154 586717231 /nfs/dbraw/zinc/71/72/31/586717231.db2.gz JUIFORMCYLBWQG-MRVPVSSYSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000816317154 586717232 /nfs/dbraw/zinc/71/72/32/586717232.db2.gz JUIFORMCYLBWQG-MRVPVSSYSA-N 1 2 221.264 0.370 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@H]1CCC[N@H+]1C1CC1 ZINC000816317154 586717235 /nfs/dbraw/zinc/71/72/35/586717235.db2.gz JUIFORMCYLBWQG-MRVPVSSYSA-N 1 2 221.264 0.370 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NOCC(C)(C)O ZINC000816381940 586722729 /nfs/dbraw/zinc/72/27/29/586722729.db2.gz ZOXXXUSMUMPYNW-UHFFFAOYSA-N 1 2 241.291 0.171 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1Cl ZINC000816519955 586738041 /nfs/dbraw/zinc/73/80/41/586738041.db2.gz BBQHLULQYVLHKL-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1Cl ZINC000816519955 586738042 /nfs/dbraw/zinc/73/80/42/586738042.db2.gz BBQHLULQYVLHKL-DTORHVGOSA-N 1 2 245.710 0.001 20 0 BCADLO C[NH+]1CCC(ONC(=O)Cc2ccco2)CC1 ZINC000816533681 586739581 /nfs/dbraw/zinc/73/95/81/586739581.db2.gz GTYSBZDVGYUAGB-UHFFFAOYSA-N 1 2 238.287 0.964 20 0 BCADLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cn[nH]c2)C1 ZINC000816635742 586746199 /nfs/dbraw/zinc/74/61/99/586746199.db2.gz UXKBCBOIDGOOBC-SNVBAGLBSA-N 1 2 241.266 0.743 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccccn1 ZINC000816816547 586766411 /nfs/dbraw/zinc/76/64/11/586766411.db2.gz ZYTVVIJHJBHKGQ-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCCOCC1CC1 ZINC000816830384 586766804 /nfs/dbraw/zinc/76/68/04/586766804.db2.gz FCFXBMFVUVQKFH-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816834169 586766952 /nfs/dbraw/zinc/76/69/52/586766952.db2.gz IQWYETJAFXRNHI-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO C[C@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816860202 586768987 /nfs/dbraw/zinc/76/89/87/586768987.db2.gz ARHLCPBOIRFMBB-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCSCC1 ZINC000816888496 586769381 /nfs/dbraw/zinc/76/93/81/586769381.db2.gz OOIZAAJSHMPGFA-UHFFFAOYSA-N 1 2 211.290 0.528 20 0 BCADLO COCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816905686 586770669 /nfs/dbraw/zinc/77/06/69/586770669.db2.gz JHPAXTJDHLBDRQ-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816946849 586773070 /nfs/dbraw/zinc/77/30/70/586773070.db2.gz YMBBFUPHYCELCO-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCc2c[nH]nc21 ZINC000816949105 586773660 /nfs/dbraw/zinc/77/36/60/586773660.db2.gz OLEHBLLKCCBVCS-SECBINFHSA-N 1 2 245.286 0.869 20 0 BCADLO C[C@H](O)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816954763 586774164 /nfs/dbraw/zinc/77/41/64/586774164.db2.gz KGFJZTVAAKTOPC-VHSXEESVSA-N 1 2 237.303 0.714 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816957382 586774470 /nfs/dbraw/zinc/77/44/70/586774470.db2.gz NGVUBXBSFHDJPF-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO COC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000816965414 586775133 /nfs/dbraw/zinc/77/51/33/586775133.db2.gz IOBRTYXPKOMNRJ-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO CC[C@H](C)CONC(=O)CC[NH+]1CCOCC1 ZINC000816977387 586777147 /nfs/dbraw/zinc/77/71/47/586777147.db2.gz YDCQASKSLKCQMI-NSHDSACASA-N 1 2 244.335 0.803 20 0 BCADLO CON(C)C(=O)CNc1cc[nH+]c(C)n1 ZINC000817127284 586783416 /nfs/dbraw/zinc/78/34/16/586783416.db2.gz JYTUKDCEKVXAMH-UHFFFAOYSA-N 1 2 210.237 0.217 20 0 BCADLO CON(C)C(=O)CNc1nc[nH+]c(N)c1Cl ZINC000817127138 586783478 /nfs/dbraw/zinc/78/34/78/586783478.db2.gz CCQUVEQWSMWIGB-UHFFFAOYSA-N 1 2 245.670 0.144 20 0 BCADLO CON(C)C(=O)CNc1[nH+]cnc(N)c1Cl ZINC000817127138 586783481 /nfs/dbraw/zinc/78/34/81/586783481.db2.gz CCQUVEQWSMWIGB-UHFFFAOYSA-N 1 2 245.670 0.144 20 0 BCADLO O=C(C(F)=C1CCC1)N1CC[NH+](CCO)CC1 ZINC000819088549 586930052 /nfs/dbraw/zinc/93/00/52/586930052.db2.gz UCSIDQWMCLXBNA-UHFFFAOYSA-N 1 2 242.294 0.530 20 0 BCADLO CCc1cc(C[NH2+]CCS(C)(=O)=O)on1 ZINC000819094050 586930537 /nfs/dbraw/zinc/93/05/37/586930537.db2.gz FVVYUJCAGJGCJH-UHFFFAOYSA-N 1 2 232.305 0.371 20 0 BCADLO O=C(COCC(F)F)OCCn1cc[nH+]c1 ZINC000860044841 589076761 /nfs/dbraw/zinc/07/67/61/589076761.db2.gz ACECHESFNMONSZ-UHFFFAOYSA-N 1 2 234.202 0.708 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)/C=C/[C@H]1CCCO1 ZINC000819488756 586968998 /nfs/dbraw/zinc/96/89/98/586968998.db2.gz VRQPVVXFMZFDFM-ZYOFXKKJSA-N 1 2 249.314 0.814 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)/C=C\[C@@H]2CCCO2)c1 ZINC000819561617 586977925 /nfs/dbraw/zinc/97/79/25/586977925.db2.gz DBZRXONSOMHEJH-RXNFCKPNSA-N 1 2 249.314 0.814 20 0 BCADLO CCn1nc(C)c(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000819595368 586980652 /nfs/dbraw/zinc/98/06/52/586980652.db2.gz DDRYHHRVIGXCNV-UHFFFAOYSA-N 1 2 248.290 0.568 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H]1O ZINC000819683790 586985275 /nfs/dbraw/zinc/98/52/75/586985275.db2.gz CTFQZZLHLRVHFI-NXEZZACHSA-N 1 2 223.276 0.303 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2nonc2C)[nH+]1 ZINC000820066715 587017377 /nfs/dbraw/zinc/01/73/77/587017377.db2.gz YUDWVRDYZRBLJR-UHFFFAOYSA-N 1 2 249.274 0.522 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000820078720 587019205 /nfs/dbraw/zinc/01/92/05/587019205.db2.gz ONCOHILCXRGUAM-FXPVBKGRSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000820078720 587019208 /nfs/dbraw/zinc/01/92/08/587019208.db2.gz ONCOHILCXRGUAM-FXPVBKGRSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H](C[NH2+][C@H](C)CC(=O)[O-])C[NH+]1CCOCC1 ZINC000820102370 587022280 /nfs/dbraw/zinc/02/22/80/587022280.db2.gz WNEDUTBZNBCUSY-GHMZBOCLSA-N 1 2 244.335 0.408 20 0 BCADLO C[C@@H](NC(=O)C1(n2cccn2)CC1)c1[nH]cc[nH+]1 ZINC000820192015 587033577 /nfs/dbraw/zinc/03/35/77/587033577.db2.gz VITIREPPDAIBGP-SECBINFHSA-N 1 2 245.286 0.973 20 0 BCADLO C=C=CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000820586239 587056708 /nfs/dbraw/zinc/05/67/08/587056708.db2.gz HSGMYUOXZAAUOE-UHFFFAOYSA-N 1 2 205.265 0.999 20 0 BCADLO C=C=CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000820586239 587056709 /nfs/dbraw/zinc/05/67/09/587056709.db2.gz HSGMYUOXZAAUOE-UHFFFAOYSA-N 1 2 205.265 0.999 20 0 BCADLO COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820729849 587069019 /nfs/dbraw/zinc/06/90/19/587069019.db2.gz BLMYUEZLAVAWBS-UWVGGRQHSA-N 1 2 230.308 0.160 20 0 BCADLO COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820729849 587069021 /nfs/dbraw/zinc/06/90/21/587069021.db2.gz BLMYUEZLAVAWBS-UWVGGRQHSA-N 1 2 230.308 0.160 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)C2CCC2)CC1 ZINC000820735103 587069366 /nfs/dbraw/zinc/06/93/66/587069366.db2.gz PGZKTULUNMLOTA-UHFFFAOYSA-N 1 2 232.349 0.506 20 0 BCADLO COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820730693 587069410 /nfs/dbraw/zinc/06/94/10/587069410.db2.gz XSNUZNBRXOPJJS-WDEREUQCSA-N 1 2 244.335 0.550 20 0 BCADLO COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820730693 587069412 /nfs/dbraw/zinc/06/94/12/587069412.db2.gz XSNUZNBRXOPJJS-WDEREUQCSA-N 1 2 244.335 0.550 20 0 BCADLO Cn1c[nH+]cc1CN[C@H](CCO)C(F)(F)F ZINC000820845998 587076762 /nfs/dbraw/zinc/07/67/62/587076762.db2.gz BIGYYVLTAHGECE-MRVPVSSYSA-N 1 2 237.225 0.823 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)no1 ZINC000860166178 589084400 /nfs/dbraw/zinc/08/44/00/589084400.db2.gz GJYNGSVTIZJRIU-NBEYISGCSA-N 1 2 237.259 0.544 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)no1 ZINC000860166178 589084402 /nfs/dbraw/zinc/08/44/02/589084402.db2.gz GJYNGSVTIZJRIU-NBEYISGCSA-N 1 2 237.259 0.544 20 0 BCADLO CC[C@H](CO)N(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820958588 587084842 /nfs/dbraw/zinc/08/48/42/587084842.db2.gz ZDHYVYNTEGEAFP-MVIFTORASA-N 1 2 237.303 0.663 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@](C)(O)CC ZINC000821240092 587103362 /nfs/dbraw/zinc/10/33/62/587103362.db2.gz ZSDKQIFOBFEMTQ-LLVKDONJSA-N 1 2 225.292 0.680 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1OC ZINC000821250074 587103483 /nfs/dbraw/zinc/10/34/83/587103483.db2.gz DQUDCXOHBRBTBR-RKDXNWHRSA-N 1 2 223.276 0.554 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000821304863 587105909 /nfs/dbraw/zinc/10/59/09/587105909.db2.gz IOBJTAOMSLMJPL-MRVPVSSYSA-N 1 2 209.249 0.294 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000821304863 587105910 /nfs/dbraw/zinc/10/59/10/587105910.db2.gz IOBJTAOMSLMJPL-MRVPVSSYSA-N 1 2 209.249 0.294 20 0 BCADLO CCN(CCOC)C(=O)Cc1[nH]cc[nH+]1 ZINC000821341376 587109398 /nfs/dbraw/zinc/10/93/98/587109398.db2.gz RHBCMMHHUMCXJJ-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO O=C1CC[C@H](C[NH+]2CCN(CC(F)F)CC2)O1 ZINC000821362629 587112051 /nfs/dbraw/zinc/11/20/51/587112051.db2.gz NDFQKFVSXYPKSJ-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO CC1=NO[C@@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000821370022 587113252 /nfs/dbraw/zinc/11/32/52/587113252.db2.gz ODKQDACEXMYEEH-PGLGOXFNSA-N 1 2 248.286 0.714 20 0 BCADLO O=Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)co1 ZINC000821385401 587114870 /nfs/dbraw/zinc/11/48/70/587114870.db2.gz KVGGDNHHRQRDRS-VIFPVBQESA-N 1 2 245.238 0.643 20 0 BCADLO C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821627196 587133446 /nfs/dbraw/zinc/13/34/46/587133446.db2.gz QWILBQWCWIHISN-UHFFFAOYSA-N 1 2 248.290 0.207 20 0 BCADLO CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821627196 587133447 /nfs/dbraw/zinc/13/34/47/587133447.db2.gz QWILBQWCWIHISN-UHFFFAOYSA-N 1 2 248.290 0.207 20 0 BCADLO COC(=O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000821723063 587135650 /nfs/dbraw/zinc/13/56/50/587135650.db2.gz QGNMGUKMWOLSRU-UHFFFAOYSA-N 1 2 225.248 0.020 20 0 BCADLO CCn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000821759214 587136968 /nfs/dbraw/zinc/13/69/68/587136968.db2.gz XABCLBVABIQBRT-UHFFFAOYSA-N 1 2 248.290 0.686 20 0 BCADLO O=C(NC[C@H]1COCO1)c1cc2c[nH+]ccc2[nH]1 ZINC000822575305 587175948 /nfs/dbraw/zinc/17/59/48/587175948.db2.gz SCRHXHMFJYLCJK-VIFPVBQESA-N 1 2 247.254 0.666 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2cn(C)nn2)[nH+]1 ZINC000823068072 587200690 /nfs/dbraw/zinc/20/06/90/587200690.db2.gz OXCXUAKXHGMVJW-UHFFFAOYSA-N 1 2 234.263 0.282 20 0 BCADLO CN(C[C@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823150754 587205982 /nfs/dbraw/zinc/20/59/82/587205982.db2.gz FFXFARBKAFDDTP-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CC[C@H](C)O)n1 ZINC000823458973 587223428 /nfs/dbraw/zinc/22/34/28/587223428.db2.gz LDTUBTVNLSANPS-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000823458973 587223429 /nfs/dbraw/zinc/22/34/29/587223429.db2.gz LDTUBTVNLSANPS-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC2OCCO2)C1 ZINC000823497887 587227402 /nfs/dbraw/zinc/22/74/02/587227402.db2.gz RYUALGZNVDKRKP-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC2OCCO2)C1 ZINC000823497887 587227403 /nfs/dbraw/zinc/22/74/03/587227403.db2.gz RYUALGZNVDKRKP-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)COC1 ZINC000823627352 587233162 /nfs/dbraw/zinc/23/31/62/587233162.db2.gz MSLHOVRFKHIXPE-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CO1 ZINC000823696327 587237130 /nfs/dbraw/zinc/23/71/30/587237130.db2.gz CCKHHUGDXDCARB-IDFWJGBYSA-N 1 2 235.287 0.727 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000823704589 587237363 /nfs/dbraw/zinc/23/73/63/587237363.db2.gz NKSSDNUDXIEHNP-XRVBUDJMSA-N 1 2 248.286 0.080 20 0 BCADLO c1cc(-c2nn[nH]n2)oc1C[NH+]1CCOCC1 ZINC000823748058 587239342 /nfs/dbraw/zinc/23/93/42/587239342.db2.gz OSDCEMKWSZHVHF-UHFFFAOYSA-N 1 2 235.247 0.292 20 0 BCADLO COC(=O)CCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000823968707 587247341 /nfs/dbraw/zinc/24/73/41/587247341.db2.gz YTZUBDZGXOQLOU-UHFFFAOYSA-N 1 2 239.275 0.412 20 0 BCADLO CCCONC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000824040791 587251042 /nfs/dbraw/zinc/25/10/42/587251042.db2.gz CKJALWOKLJIYEL-UHFFFAOYSA-N 1 2 244.335 0.803 20 0 BCADLO O=C(CC1(O)CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000824116586 587256483 /nfs/dbraw/zinc/25/64/83/587256483.db2.gz LYBYLLWECCPSGP-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO CCONC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000824356752 587267410 /nfs/dbraw/zinc/26/74/10/587267410.db2.gz GWMMISVQUAWKAQ-ZDUSSCGKSA-N 1 2 234.299 0.985 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC(F)(F)F ZINC000824629539 587280412 /nfs/dbraw/zinc/28/04/12/587280412.db2.gz VUYTVJSEHZATIV-UHFFFAOYSA-N 1 2 237.181 0.905 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC(F)(F)F ZINC000824629539 587280414 /nfs/dbraw/zinc/28/04/14/587280414.db2.gz VUYTVJSEHZATIV-UHFFFAOYSA-N 1 2 237.181 0.905 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCC(=O)N1 ZINC000824895191 587291857 /nfs/dbraw/zinc/29/18/57/587291857.db2.gz SELIPKMZUGKVOP-MRVPVSSYSA-N 1 2 249.270 0.697 20 0 BCADLO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC000824972886 587295937 /nfs/dbraw/zinc/29/59/37/587295937.db2.gz AROATDCQMAKPOS-VHSXEESVSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC000824972886 587295938 /nfs/dbraw/zinc/29/59/38/587295938.db2.gz AROATDCQMAKPOS-VHSXEESVSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCNC(=O)[O-] ZINC000825056147 587300461 /nfs/dbraw/zinc/30/04/61/587300461.db2.gz OUXLXZNGOORGKF-VIFPVBQESA-N 1 2 226.280 0.519 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000825117298 587305705 /nfs/dbraw/zinc/30/57/05/587305705.db2.gz ZPSPNSRMRVYTTH-SECBINFHSA-N 1 2 246.401 0.609 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825513974 587322591 /nfs/dbraw/zinc/32/25/91/587322591.db2.gz XIHZEOUYMDHFTA-GZMMTYOYSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@]1(C)C=CCC1 ZINC000825526208 587323427 /nfs/dbraw/zinc/32/34/27/587323427.db2.gz FDSDYLAZEWTTRH-GXFFZTMASA-N 1 2 249.314 0.926 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@]1(C)C=CCC1 ZINC000825526207 587323548 /nfs/dbraw/zinc/32/35/48/587323548.db2.gz FDSDYLAZEWTTRH-GWCFXTLKSA-N 1 2 249.314 0.926 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000825621095 587327610 /nfs/dbraw/zinc/32/76/10/587327610.db2.gz IOJRZKCLXAJIJL-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852694 587341780 /nfs/dbraw/zinc/34/17/80/587341780.db2.gz PUJLMEKQCRJIEK-DTWKUNHWSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852694 587341782 /nfs/dbraw/zinc/34/17/82/587341782.db2.gz PUJLMEKQCRJIEK-DTWKUNHWSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852838 587341846 /nfs/dbraw/zinc/34/18/46/587341846.db2.gz RDJRVMAMUXUKLP-NXEZZACHSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852838 587341847 /nfs/dbraw/zinc/34/18/47/587341847.db2.gz RDJRVMAMUXUKLP-NXEZZACHSA-N 1 2 241.335 0.859 20 0 BCADLO CC(C)[N@H+]1C[C@H]([NH2+]CCCNC(=O)[O-])[C@@H](C)C1 ZINC000826041271 587349152 /nfs/dbraw/zinc/34/91/52/587349152.db2.gz GQOKACCDNISFQF-QWRGUYRKSA-N 1 2 243.351 0.962 20 0 BCADLO CC(C)[N@@H+]1C[C@H]([NH2+]CCCNC(=O)[O-])[C@@H](C)C1 ZINC000826041271 587349153 /nfs/dbraw/zinc/34/91/53/587349153.db2.gz GQOKACCDNISFQF-QWRGUYRKSA-N 1 2 243.351 0.962 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(C(=O)[O-])C1 ZINC000826047896 587349337 /nfs/dbraw/zinc/34/93/37/587349337.db2.gz GKGZXKPVOLZNAT-OUAUKWLOSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(C(=O)[O-])C1 ZINC000826047896 587349338 /nfs/dbraw/zinc/34/93/38/587349338.db2.gz GKGZXKPVOLZNAT-OUAUKWLOSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)[O-])C1 ZINC000826047898 587349391 /nfs/dbraw/zinc/34/93/91/587349391.db2.gz GKGZXKPVOLZNAT-VWYCJHECSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)[O-])C1 ZINC000826047898 587349392 /nfs/dbraw/zinc/34/93/92/587349392.db2.gz GKGZXKPVOLZNAT-VWYCJHECSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047520 587349568 /nfs/dbraw/zinc/34/95/68/587349568.db2.gz DTOFJVYKDKORRD-MWLCHTKSSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047520 587349569 /nfs/dbraw/zinc/34/95/69/587349569.db2.gz DTOFJVYKDKORRD-MWLCHTKSSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050106 587349589 /nfs/dbraw/zinc/34/95/89/587349589.db2.gz RUOHITZMABFFBG-DTWKUNHWSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)[O-] ZINC000826050106 587349590 /nfs/dbraw/zinc/34/95/90/587349590.db2.gz RUOHITZMABFFBG-DTWKUNHWSA-N 1 2 229.324 0.572 20 0 BCADLO COC(=O)c1nccnc1NCc1c[nH+]cn1C ZINC000826088271 587350528 /nfs/dbraw/zinc/35/05/28/587350528.db2.gz OTKXYHCOHZUVSF-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO CC(C)OC(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000826135195 587351083 /nfs/dbraw/zinc/35/10/83/587351083.db2.gz BRCOLBGQBGMRJL-UHFFFAOYSA-N 1 2 225.248 0.020 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)CSCCF ZINC000826143409 587351283 /nfs/dbraw/zinc/35/12/83/587351283.db2.gz YXAYYJZNCSZLTI-QMMMGPOBSA-N 1 2 238.328 0.735 20 0 BCADLO Cc1cc[nH+]c(N(C)[C@H](C)CO)c1-c1nn[nH]n1 ZINC000826309579 587352065 /nfs/dbraw/zinc/35/20/65/587352065.db2.gz UWTFHWLGKUGMMM-MRVPVSSYSA-N 1 2 248.290 0.387 20 0 BCADLO Cc1cc[nH+]c(N2CC[C@H](O)C2)c1-c1nn[nH]n1 ZINC000826312220 587352175 /nfs/dbraw/zinc/35/21/75/587352175.db2.gz YQFKDLXPJVDEHH-QMMMGPOBSA-N 1 2 246.274 0.141 20 0 BCADLO Cc1cc[nH+]c(N2CCC2)c1-c1nn[nH]n1 ZINC000826309956 587352493 /nfs/dbraw/zinc/35/24/93/587352493.db2.gz HLQIBYLWSZCEOP-UHFFFAOYSA-N 1 2 216.248 0.780 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCO)CCCO ZINC000119641677 589321576 /nfs/dbraw/zinc/32/15/76/589321576.db2.gz FOLVYTUCXBWAJG-JTQLQIEISA-N 1 2 233.308 0.005 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000826738194 587360725 /nfs/dbraw/zinc/36/07/25/587360725.db2.gz PJEJRXOAIHOYMC-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO CCOCCN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000826780682 587362161 /nfs/dbraw/zinc/36/21/61/587362161.db2.gz ODTKSYKRWAAAPN-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198965 587372605 /nfs/dbraw/zinc/37/26/05/587372605.db2.gz MQYLTAQOXVTBNT-VHSXEESVSA-N 1 2 243.351 0.962 20 0 BCADLO CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198965 587372606 /nfs/dbraw/zinc/37/26/06/587372606.db2.gz MQYLTAQOXVTBNT-VHSXEESVSA-N 1 2 243.351 0.962 20 0 BCADLO CC[NH+]1CCC([N@H+](C)CCNC(=O)[O-])CC1 ZINC000827208306 587372916 /nfs/dbraw/zinc/37/29/16/587372916.db2.gz SWJKJMDQKNFAJN-UHFFFAOYSA-N 1 2 229.324 0.670 20 0 BCADLO CC[NH+]1CCC([N@@H+](C)CCNC(=O)[O-])CC1 ZINC000827208306 587372917 /nfs/dbraw/zinc/37/29/17/587372917.db2.gz SWJKJMDQKNFAJN-UHFFFAOYSA-N 1 2 229.324 0.670 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000827424108 587380893 /nfs/dbraw/zinc/38/08/93/587380893.db2.gz VNPDPVDZGWXIHA-NQBHXWOUSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000827424108 587380894 /nfs/dbraw/zinc/38/08/94/587380894.db2.gz VNPDPVDZGWXIHA-NQBHXWOUSA-N 1 2 238.331 0.623 20 0 BCADLO CCOC(=O)CN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000827549640 587387124 /nfs/dbraw/zinc/38/71/24/587387124.db2.gz QHMNNSHVJDKTRR-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO COC(=O)C1([NH2+]CC[S@@](C)=O)CCCCC1 ZINC000827851570 587405320 /nfs/dbraw/zinc/40/53/20/587405320.db2.gz FFVNMDDLLJIXIB-MRXNPFEDSA-N 1 2 247.360 0.830 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CC[C@@H](C)O)CCO1 ZINC000827877207 587405442 /nfs/dbraw/zinc/40/54/42/587405442.db2.gz DSLJKKNVFDKLJG-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CC[C@@H](C)O)CCO1 ZINC000827877207 587405443 /nfs/dbraw/zinc/40/54/43/587405443.db2.gz DSLJKKNVFDKLJG-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO Cn1ccc(C[N@@H+]2CCCN(C=O)CC2)n1 ZINC000827871698 587406523 /nfs/dbraw/zinc/40/65/23/587406523.db2.gz GYOKLWLEOHCJKT-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1ccc(C[N@H+]2CCCN(C=O)CC2)n1 ZINC000827871698 587406524 /nfs/dbraw/zinc/40/65/24/587406524.db2.gz GYOKLWLEOHCJKT-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000827878099 587406908 /nfs/dbraw/zinc/40/69/08/587406908.db2.gz NKZQOCQFMPEDKG-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000827878099 587406909 /nfs/dbraw/zinc/40/69/09/587406909.db2.gz NKZQOCQFMPEDKG-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO Fc1ccc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000827885324 587407791 /nfs/dbraw/zinc/40/77/91/587407791.db2.gz XDXNGFNOEWNJOZ-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO Fc1ccc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000827885324 587407792 /nfs/dbraw/zinc/40/77/92/587407792.db2.gz XDXNGFNOEWNJOZ-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C2(CO)CC2)n1 ZINC000827903195 587408810 /nfs/dbraw/zinc/40/88/10/587408810.db2.gz FITPHTXDSLGRRV-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C2(CO)CC2)n1 ZINC000827903195 587408812 /nfs/dbraw/zinc/40/88/12/587408812.db2.gz FITPHTXDSLGRRV-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C)CC=CC2)C[C@@H]1CO ZINC000827983763 587414900 /nfs/dbraw/zinc/41/49/00/587414900.db2.gz TZMOTNIOGIYBTO-LLVKDONJSA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C)CC=CC2)C[C@@H]1CO ZINC000827983763 587414901 /nfs/dbraw/zinc/41/49/01/587414901.db2.gz TZMOTNIOGIYBTO-LLVKDONJSA-N 1 2 238.331 0.478 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C)CC=CC2)C[C@H]1CO ZINC000827983764 587415001 /nfs/dbraw/zinc/41/50/01/587415001.db2.gz TZMOTNIOGIYBTO-NSHDSACASA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C)CC=CC2)C[C@H]1CO ZINC000827983764 587415002 /nfs/dbraw/zinc/41/50/02/587415002.db2.gz TZMOTNIOGIYBTO-NSHDSACASA-N 1 2 238.331 0.478 20 0 BCADLO C[NH+](C)[C@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827993129 587415331 /nfs/dbraw/zinc/41/53/31/587415331.db2.gz ABCGZXJVVSYHPH-GHMZBOCLSA-N 1 2 241.335 0.669 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000827990446 587415354 /nfs/dbraw/zinc/41/53/54/587415354.db2.gz KKNVCONYKOYLJT-UVWXRNBGSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000827990446 587415356 /nfs/dbraw/zinc/41/53/56/587415356.db2.gz KKNVCONYKOYLJT-UVWXRNBGSA-N 1 2 247.360 0.245 20 0 BCADLO O=Cc1cc(C(=O)NC23CC[NH+](CC2)C3)co1 ZINC000828009444 587416680 /nfs/dbraw/zinc/41/66/80/587416680.db2.gz HNNGMLOGHSWDRK-UHFFFAOYSA-N 1 2 234.255 0.670 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000828127679 587420497 /nfs/dbraw/zinc/42/04/97/587420497.db2.gz TVAGZBKMMWNFHC-BJOHPYRUSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000828127679 587420498 /nfs/dbraw/zinc/42/04/98/587420498.db2.gz TVAGZBKMMWNFHC-BJOHPYRUSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000828127679 587420499 /nfs/dbraw/zinc/42/04/99/587420499.db2.gz TVAGZBKMMWNFHC-BJOHPYRUSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000828127682 587420643 /nfs/dbraw/zinc/42/06/43/587420643.db2.gz TVAGZBKMMWNFHC-VFZGTOFNSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000828127682 587420645 /nfs/dbraw/zinc/42/06/45/587420645.db2.gz TVAGZBKMMWNFHC-VFZGTOFNSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@](=O)CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000828127682 587420646 /nfs/dbraw/zinc/42/06/46/587420646.db2.gz TVAGZBKMMWNFHC-VFZGTOFNSA-N 1 2 227.333 0.925 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC2(C)COC2)c1 ZINC000828134720 587420976 /nfs/dbraw/zinc/42/09/76/587420976.db2.gz DTXNUVFPGMGFHJ-ONEGZZNKSA-N 1 2 221.260 0.338 20 0 BCADLO CCCONC(=O)NCCCn1cc[nH+]c1 ZINC000828221959 587425501 /nfs/dbraw/zinc/42/55/01/587425501.db2.gz FNPZTYKFXIYDQA-UHFFFAOYSA-N 1 2 226.280 0.914 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828288220 587431894 /nfs/dbraw/zinc/43/18/94/587431894.db2.gz DBEOUIIIGMTXKS-MEDUHNTESA-N 1 2 249.376 0.491 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828288220 587431895 /nfs/dbraw/zinc/43/18/95/587431895.db2.gz DBEOUIIIGMTXKS-MEDUHNTESA-N 1 2 249.376 0.491 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000828313168 587434510 /nfs/dbraw/zinc/43/45/10/587434510.db2.gz MZQSQLOOVQQKFB-HZMBPMFUSA-N 1 2 217.334 0.476 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000828313168 587434511 /nfs/dbraw/zinc/43/45/11/587434511.db2.gz MZQSQLOOVQQKFB-HZMBPMFUSA-N 1 2 217.334 0.476 20 0 BCADLO CCCONC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000828334926 587436459 /nfs/dbraw/zinc/43/64/59/587436459.db2.gz UYIXTUOYUJAULA-MRVPVSSYSA-N 1 2 238.291 0.908 20 0 BCADLO CCCONC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000828334926 587436460 /nfs/dbraw/zinc/43/64/60/587436460.db2.gz UYIXTUOYUJAULA-MRVPVSSYSA-N 1 2 238.291 0.908 20 0 BCADLO CCc1cc(CNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC000828530309 587448005 /nfs/dbraw/zinc/44/80/05/587448005.db2.gz JBDUYHSVYFYMGH-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO COC(=O)CC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828535425 587448965 /nfs/dbraw/zinc/44/89/65/587448965.db2.gz ACGUZBQTMCRJTL-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828736521 587459539 /nfs/dbraw/zinc/45/95/39/587459539.db2.gz HDQJROVTUKVTDW-HZMBPMFUSA-N 1 2 219.350 0.722 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828736521 587459540 /nfs/dbraw/zinc/45/95/40/587459540.db2.gz HDQJROVTUKVTDW-HZMBPMFUSA-N 1 2 219.350 0.722 20 0 BCADLO CCCCC[N@H+](CC[S@](C)=O)CC(N)=O ZINC000828748069 587460028 /nfs/dbraw/zinc/46/00/28/587460028.db2.gz BYJWMJRHAXKROX-HNNXBMFYSA-N 1 2 234.365 0.342 20 0 BCADLO CCCCC[N@@H+](CC[S@](C)=O)CC(N)=O ZINC000828748069 587460029 /nfs/dbraw/zinc/46/00/29/587460029.db2.gz BYJWMJRHAXKROX-HNNXBMFYSA-N 1 2 234.365 0.342 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC[S@](C)=O ZINC000828754609 587460302 /nfs/dbraw/zinc/46/03/02/587460302.db2.gz AXYRATNHNHGHHZ-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC[S@](C)=O ZINC000828754609 587460304 /nfs/dbraw/zinc/46/03/04/587460304.db2.gz AXYRATNHNHGHHZ-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccnn1C ZINC000828915532 587471801 /nfs/dbraw/zinc/47/18/01/587471801.db2.gz QFAKFPRDQMGSAA-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC[S@@](C)=O ZINC000828952581 587475119 /nfs/dbraw/zinc/47/51/19/587475119.db2.gz AXDOAPWOQLBVBR-XQJJYNOISA-N 1 2 247.360 0.638 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC[S@@](C)=O ZINC000828952581 587475120 /nfs/dbraw/zinc/47/51/20/587475120.db2.gz AXDOAPWOQLBVBR-XQJJYNOISA-N 1 2 247.360 0.638 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000829107305 587483037 /nfs/dbraw/zinc/48/30/37/587483037.db2.gz PERFREDNYQYQBX-BZNIZROVSA-N 1 2 246.376 0.356 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000829107305 587483039 /nfs/dbraw/zinc/48/30/39/587483039.db2.gz PERFREDNYQYQBX-BZNIZROVSA-N 1 2 246.376 0.356 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829262557 587490401 /nfs/dbraw/zinc/49/04/01/587490401.db2.gz VTLXDYXZHYWGGR-LLVKDONJSA-N 1 2 245.344 0.567 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829262557 587490402 /nfs/dbraw/zinc/49/04/02/587490402.db2.gz VTLXDYXZHYWGGR-LLVKDONJSA-N 1 2 245.344 0.567 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829279493 587491396 /nfs/dbraw/zinc/49/13/96/587491396.db2.gz KHHHQGXRDBAWFE-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829432611 587496910 /nfs/dbraw/zinc/49/69/10/587496910.db2.gz YOBSRIYKUVBWOX-QQHVKIJGSA-N 1 2 249.314 0.805 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829432610 587497048 /nfs/dbraw/zinc/49/70/48/587497048.db2.gz YOBSRIYKUVBWOX-INCYKZHSSA-N 1 2 249.314 0.805 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000829505319 587500711 /nfs/dbraw/zinc/50/07/11/587500711.db2.gz JMGIGERGTXNFCN-SCZZXKLOSA-N 1 2 237.246 0.292 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000829505319 587500713 /nfs/dbraw/zinc/50/07/13/587500713.db2.gz JMGIGERGTXNFCN-SCZZXKLOSA-N 1 2 237.246 0.292 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000829505317 587501006 /nfs/dbraw/zinc/50/10/06/587501006.db2.gz JMGIGERGTXNFCN-PSASIEDQSA-N 1 2 237.246 0.292 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000829505317 587501008 /nfs/dbraw/zinc/50/10/08/587501008.db2.gz JMGIGERGTXNFCN-PSASIEDQSA-N 1 2 237.246 0.292 20 0 BCADLO COC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829670634 587508648 /nfs/dbraw/zinc/50/86/48/587508648.db2.gz MSLXTTFXEIMJIZ-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cn2c(n1)CCC2 ZINC000829849261 587524387 /nfs/dbraw/zinc/52/43/87/587524387.db2.gz KWXMOALVNDBGIY-UHFFFAOYSA-N 1 2 246.270 0.883 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2COCC[C@@H]21 ZINC000829982219 587531018 /nfs/dbraw/zinc/53/10/18/587531018.db2.gz LRWFJXJBHAQPQV-QWRGUYRKSA-N 1 2 249.314 0.980 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000830085931 587535123 /nfs/dbraw/zinc/53/51/23/587535123.db2.gz RSTMSOWMBUZLGI-HTQZYQBOSA-N 1 2 245.710 0.577 20 0 BCADLO CC1(C)OC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000830114966 587536692 /nfs/dbraw/zinc/53/66/92/587536692.db2.gz KDJVSOXNDFMFEF-QMMMGPOBSA-N 1 2 239.275 0.220 20 0 BCADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1C=O ZINC000830134921 587538182 /nfs/dbraw/zinc/53/81/82/587538182.db2.gz INVLHSORVGULFS-SNVBAGLBSA-N 1 2 235.287 0.272 20 0 BCADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C)cc1C=O ZINC000830134921 587538184 /nfs/dbraw/zinc/53/81/84/587538184.db2.gz INVLHSORVGULFS-SNVBAGLBSA-N 1 2 235.287 0.272 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+](C)CCNC(C)=O ZINC000830131144 587538281 /nfs/dbraw/zinc/53/82/81/587538281.db2.gz PPNJLEYRJPXCIK-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+](C)CCNC(C)=O ZINC000830131144 587538283 /nfs/dbraw/zinc/53/82/83/587538283.db2.gz PPNJLEYRJPXCIK-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000830213059 587541509 /nfs/dbraw/zinc/54/15/09/587541509.db2.gz VFPQIIQMHGZSRF-WDEREUQCSA-N 1 2 249.314 0.884 20 0 BCADLO O=C1OCCN1CC[N@H+](C1CC1)C1COC1 ZINC000830227638 587542825 /nfs/dbraw/zinc/54/28/25/587542825.db2.gz OQEQALZXDIMHPW-UHFFFAOYSA-N 1 2 226.276 0.302 20 0 BCADLO O=C1OCCN1CC[N@@H+](C1CC1)C1COC1 ZINC000830227638 587542826 /nfs/dbraw/zinc/54/28/26/587542826.db2.gz OQEQALZXDIMHPW-UHFFFAOYSA-N 1 2 226.276 0.302 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830256425 587544370 /nfs/dbraw/zinc/54/43/70/587544370.db2.gz WKIMOBOGBKAWJR-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@@H](C)[NH+](C)C)n1 ZINC000830408580 587550412 /nfs/dbraw/zinc/55/04/12/587550412.db2.gz GLZCJLDIVOPOGB-ZCFIWIBFSA-N 1 2 227.268 0.092 20 0 BCADLO CC(C)(C)OC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000830518909 587555539 /nfs/dbraw/zinc/55/55/39/587555539.db2.gz SLSLLMKNSYRREW-UHFFFAOYSA-N 1 2 237.303 0.909 20 0 BCADLO COC1(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000830832736 587571623 /nfs/dbraw/zinc/57/16/23/587571623.db2.gz PGGBIPBEGVVHPA-UHFFFAOYSA-N 1 2 224.260 0.995 20 0 BCADLO COC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000830832740 587573011 /nfs/dbraw/zinc/57/30/11/587573011.db2.gz PMJLJCIPBVXPBM-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO C[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830935276 587577951 /nfs/dbraw/zinc/57/79/51/587577951.db2.gz UQGYVSNCRXNISQ-JTQLQIEISA-N 1 2 237.303 0.897 20 0 BCADLO C[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830935276 587577952 /nfs/dbraw/zinc/57/79/52/587577952.db2.gz UQGYVSNCRXNISQ-JTQLQIEISA-N 1 2 237.303 0.897 20 0 BCADLO CCC(CC)(CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831064115 587584703 /nfs/dbraw/zinc/58/47/03/587584703.db2.gz DDCZGJCYBLBVFN-UHFFFAOYSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@@H]1COCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831149117 587587748 /nfs/dbraw/zinc/58/77/48/587587748.db2.gz BARBKLVATBFVHO-VIFPVBQESA-N 1 2 223.276 0.447 20 0 BCADLO CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000831193114 587591037 /nfs/dbraw/zinc/59/10/37/587591037.db2.gz CVVSMUULTGYYPU-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(CCO)CC1 ZINC000831250073 587593670 /nfs/dbraw/zinc/59/36/70/587593670.db2.gz PDNPAVZTTPNDSA-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000831269457 587594758 /nfs/dbraw/zinc/59/47/58/587594758.db2.gz PZYGORSBPOMPCR-APPZFPTMSA-N 1 2 225.292 0.997 20 0 BCADLO C[C@@H](c1nc(CCCCC(N)=O)no1)[NH+](C)C ZINC000867071342 587599959 /nfs/dbraw/zinc/59/99/59/587599959.db2.gz BUIKWKIPBSKHSV-QMMMGPOBSA-N 1 2 240.307 0.890 20 0 BCADLO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000831670497 587626972 /nfs/dbraw/zinc/62/69/72/587626972.db2.gz NWMVPGYDTPJKOG-UTLUCORTSA-N 1 2 241.287 0.623 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831697380 587627971 /nfs/dbraw/zinc/62/79/71/587627971.db2.gz KFEDPMVWWPKKBV-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO O=C([O-])N1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000831958407 587639034 /nfs/dbraw/zinc/63/90/34/587639034.db2.gz FLENYLULNOEAKX-UHFFFAOYSA-N 1 2 238.291 0.615 20 0 BCADLO CN(CC1(O)CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832172040 587647958 /nfs/dbraw/zinc/64/79/58/587647958.db2.gz YEVBVXVXVDXEGU-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000832171948 587648257 /nfs/dbraw/zinc/64/82/57/587648257.db2.gz WXJFQCKCAWQCLT-LLVKDONJSA-N 1 2 223.276 0.326 20 0 BCADLO CC1(CO)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832202920 587650265 /nfs/dbraw/zinc/65/02/65/587650265.db2.gz RWLJAYBAQBDXNZ-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000832517217 587664678 /nfs/dbraw/zinc/66/46/78/587664678.db2.gz FOCQYWXYVDCSNQ-VHSXEESVSA-N 1 2 248.286 0.479 20 0 BCADLO O=C([O-])NCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000832641947 587671908 /nfs/dbraw/zinc/67/19/08/587671908.db2.gz PDLVBZAKOPVEFS-JTQLQIEISA-N 1 2 238.291 0.788 20 0 BCADLO O=C([O-])NCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000832641947 587671909 /nfs/dbraw/zinc/67/19/09/587671909.db2.gz PDLVBZAKOPVEFS-JTQLQIEISA-N 1 2 238.291 0.788 20 0 BCADLO CCC[C@H](O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000832694712 587677749 /nfs/dbraw/zinc/67/77/49/587677749.db2.gz GBDDSOJNGGCRNV-JTQLQIEISA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@H](O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000832694712 587677750 /nfs/dbraw/zinc/67/77/50/587677750.db2.gz GBDDSOJNGGCRNV-JTQLQIEISA-N 1 2 225.292 0.620 20 0 BCADLO CO[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC000832739251 587681267 /nfs/dbraw/zinc/68/12/67/587681267.db2.gz KBSPGHXOMNYUNI-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@@]1(CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000832745133 587682639 /nfs/dbraw/zinc/68/26/39/587682639.db2.gz JQPWMLTZFIWGPR-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834779151 587766882 /nfs/dbraw/zinc/76/68/82/587766882.db2.gz VMVFSWYDVUNERM-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CC(C)[C@H]1CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867231087 587877014 /nfs/dbraw/zinc/87/70/14/587877014.db2.gz ZICJXAKHHBXFTG-ZJUUUORDSA-N 1 2 223.276 0.700 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCOC2)C1 ZINC000837545402 587881020 /nfs/dbraw/zinc/88/10/20/587881020.db2.gz FPRZKMWOSBBJQE-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCOC2)C1 ZINC000837545402 587881021 /nfs/dbraw/zinc/88/10/21/587881021.db2.gz FPRZKMWOSBBJQE-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO CC[C@@H](O)CC(=O)OCCCn1cc[nH+]c1 ZINC000837811179 587896000 /nfs/dbraw/zinc/89/60/00/587896000.db2.gz PPZVWORNQYQCOR-SNVBAGLBSA-N 1 2 226.276 0.977 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC2(C1)OCCO2 ZINC000104081016 587932972 /nfs/dbraw/zinc/93/29/72/587932972.db2.gz BXFARKTUVCSZHD-VIFPVBQESA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(C1)OCCO2 ZINC000104081016 587932973 /nfs/dbraw/zinc/93/29/73/587932973.db2.gz BXFARKTUVCSZHD-VIFPVBQESA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC2(C1)OCCO2 ZINC000104081019 587933000 /nfs/dbraw/zinc/93/30/00/587933000.db2.gz BXFARKTUVCSZHD-SECBINFHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(C1)OCCO2 ZINC000104081019 587933001 /nfs/dbraw/zinc/93/30/01/587933001.db2.gz BXFARKTUVCSZHD-SECBINFHSA-N 1 2 240.303 0.102 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)nn1C ZINC000841830643 587976205 /nfs/dbraw/zinc/97/62/05/587976205.db2.gz KKKOXVPZIAHXED-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)nn1C ZINC000841830643 587976206 /nfs/dbraw/zinc/97/62/06/587976206.db2.gz KKKOXVPZIAHXED-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CC[C@@H](CO[NH+]=C(N)[C@@H](C)OC)OC ZINC000842036303 587991993 /nfs/dbraw/zinc/99/19/93/587991993.db2.gz KZFVSRYYSAJHGI-SFYZADRCSA-N 1 2 204.270 0.945 20 0 BCADLO CC[C@@H](CO[NH+]=C(N)[C@H](C)OC)OC ZINC000842036304 587992179 /nfs/dbraw/zinc/99/21/79/587992179.db2.gz KZFVSRYYSAJHGI-YUMQZZPRSA-N 1 2 204.270 0.945 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOCC1CCC1 ZINC000842157295 588005006 /nfs/dbraw/zinc/00/50/06/588005006.db2.gz QXUUWBJZNZDRRB-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOCC1CCC1 ZINC000842157295 588005008 /nfs/dbraw/zinc/00/50/08/588005008.db2.gz QXUUWBJZNZDRRB-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cn1ncc(Cl)c1C ZINC000842635329 588047426 /nfs/dbraw/zinc/04/74/26/588047426.db2.gz MCKLYHNYNBGAIS-UHFFFAOYSA-N 1 2 244.726 0.870 20 0 BCADLO CC(=O)NCC[N@H+](C)Cn1ncc(Cl)c1C ZINC000842635329 588047427 /nfs/dbraw/zinc/04/74/27/588047427.db2.gz MCKLYHNYNBGAIS-UHFFFAOYSA-N 1 2 244.726 0.870 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C[C@H](C)[C@H](C)C1=O ZINC000842634850 588047741 /nfs/dbraw/zinc/04/77/41/588047741.db2.gz HXXSHLBTWACWPW-UWVGGRQHSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C[C@H](C)[C@H](C)C1=O ZINC000842634850 588047743 /nfs/dbraw/zinc/04/77/43/588047743.db2.gz HXXSHLBTWACWPW-UWVGGRQHSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C(=O)CCC1(C)C ZINC000842634503 588047896 /nfs/dbraw/zinc/04/78/96/588047896.db2.gz DUDAKLXZCUZQOA-UHFFFAOYSA-N 1 2 241.335 0.413 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C(=O)CCC1(C)C ZINC000842634503 588047897 /nfs/dbraw/zinc/04/78/97/588047897.db2.gz DUDAKLXZCUZQOA-UHFFFAOYSA-N 1 2 241.335 0.413 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSCC[S@](C)=O)C1 ZINC000842652758 588049255 /nfs/dbraw/zinc/04/92/55/588049255.db2.gz AVAHQDOIHADAMB-OTYXRUKQSA-N 1 2 237.390 0.429 20 0 BCADLO C[N@H+]1CCO[C@@H](CSCC[S@](C)=O)C1 ZINC000842652758 588049256 /nfs/dbraw/zinc/04/92/56/588049256.db2.gz AVAHQDOIHADAMB-OTYXRUKQSA-N 1 2 237.390 0.429 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842654953 588050281 /nfs/dbraw/zinc/05/02/81/588050281.db2.gz AGLDCFQPJNBYKC-VHSXEESVSA-N 1 2 246.307 0.715 20 0 BCADLO COc1ncncc1C[NH2+]Cc1ccnn1C ZINC000842668532 588050507 /nfs/dbraw/zinc/05/05/07/588050507.db2.gz MGAWEOUYLIDEJA-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CCOCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842662568 588050518 /nfs/dbraw/zinc/05/05/18/588050518.db2.gz UKJVHSQLOITXHX-SNVBAGLBSA-N 1 2 246.307 0.574 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842663186 588050580 /nfs/dbraw/zinc/05/05/80/588050580.db2.gz XNLHHFXVXGKJEF-VHSXEESVSA-N 1 2 246.307 0.309 20 0 BCADLO COC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC000842781601 588063246 /nfs/dbraw/zinc/06/32/46/588063246.db2.gz YZBCGWRNCULIBG-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO COC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC000842781601 588063248 /nfs/dbraw/zinc/06/32/48/588063248.db2.gz YZBCGWRNCULIBG-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO CCN1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC000104952271 588070764 /nfs/dbraw/zinc/07/07/64/588070764.db2.gz BPJYEQFCFPTKGS-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO CCN1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000104952271 588070766 /nfs/dbraw/zinc/07/07/66/588070766.db2.gz BPJYEQFCFPTKGS-UHFFFAOYSA-N 1 2 234.365 0.059 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N)nc1 ZINC000843119108 588082608 /nfs/dbraw/zinc/08/26/08/588082608.db2.gz CKAZBRPPEVNLAI-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N)nc1 ZINC000843119108 588082609 /nfs/dbraw/zinc/08/26/09/588082609.db2.gz CKAZBRPPEVNLAI-VIFPVBQESA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N)nc1 ZINC000843119107 588082848 /nfs/dbraw/zinc/08/28/48/588082848.db2.gz CKAZBRPPEVNLAI-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N)nc1 ZINC000843119107 588082849 /nfs/dbraw/zinc/08/28/49/588082849.db2.gz CKAZBRPPEVNLAI-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO Nc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000843119649 588083324 /nfs/dbraw/zinc/08/33/24/588083324.db2.gz ZBGRPTUMFMEIAL-SNVBAGLBSA-N 1 2 248.286 0.300 20 0 BCADLO Nc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000843119649 588083326 /nfs/dbraw/zinc/08/33/26/588083326.db2.gz ZBGRPTUMFMEIAL-SNVBAGLBSA-N 1 2 248.286 0.300 20 0 BCADLO CC[NH2+]Cc1noc(Cn2cc(C)cn2)n1 ZINC000843145723 588083747 /nfs/dbraw/zinc/08/37/47/588083747.db2.gz VCTURMLNPGIUAT-UHFFFAOYSA-N 1 2 221.264 0.732 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000843428207 588106083 /nfs/dbraw/zinc/10/60/83/588106083.db2.gz ULMGWZXAPSPCPV-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000843428207 588106084 /nfs/dbraw/zinc/10/60/84/588106084.db2.gz ULMGWZXAPSPCPV-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO COc1ncncc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000843404596 588106930 /nfs/dbraw/zinc/10/69/30/588106930.db2.gz KHEZBUDETKKDJI-CMPLNLGQSA-N 1 2 235.287 0.299 20 0 BCADLO COc1ncncc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000843404596 588106931 /nfs/dbraw/zinc/10/69/31/588106931.db2.gz KHEZBUDETKKDJI-CMPLNLGQSA-N 1 2 235.287 0.299 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2coc(C3CC3)n2)C1 ZINC000843415132 588107166 /nfs/dbraw/zinc/10/71/66/588107166.db2.gz DKFOVALYNWIDJD-UHFFFAOYSA-N 1 2 235.287 0.859 20 0 BCADLO c1c[nH]c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)n1 ZINC000843414703 588107260 /nfs/dbraw/zinc/10/72/60/588107260.db2.gz BMUXAUBTXPWBDC-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1c[nH]c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)n1 ZINC000843414703 588107261 /nfs/dbraw/zinc/10/72/61/588107261.db2.gz BMUXAUBTXPWBDC-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1c[nH+]c(CN2CC[C@H](Nc3ncccn3)C2)[nH]1 ZINC000843414703 588107262 /nfs/dbraw/zinc/10/72/62/588107262.db2.gz BMUXAUBTXPWBDC-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2ccc(F)nc2)C1 ZINC000843416221 588107292 /nfs/dbraw/zinc/10/72/92/588107292.db2.gz PFHLKXHCIDKSNI-UHFFFAOYSA-N 1 2 223.251 0.528 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1(F)CC1 ZINC000843585390 588126788 /nfs/dbraw/zinc/12/67/88/588126788.db2.gz PATZXOSXSSMAHC-UHFFFAOYSA-N 1 2 242.294 0.470 20 0 BCADLO Cc1nc(N)c(CNC(=O)C(C)(C)F)c[nH+]1 ZINC000843883780 588147143 /nfs/dbraw/zinc/14/71/43/588147143.db2.gz JWGVMPWPHGLWBQ-UHFFFAOYSA-N 1 2 226.255 0.732 20 0 BCADLO O=C(N1CCn2c[nH+]cc2C1)C1(F)CC1 ZINC000843890986 588148174 /nfs/dbraw/zinc/14/81/74/588148174.db2.gz ICHHWMPSDUFKRZ-UHFFFAOYSA-N 1 2 209.224 0.727 20 0 BCADLO CCCONC(=O)CCc1c[nH+]cn1C ZINC000844087201 588164670 /nfs/dbraw/zinc/16/46/70/588164670.db2.gz IEGIWAZNZRUFEF-UHFFFAOYSA-N 1 2 211.265 0.811 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844137874 588170045 /nfs/dbraw/zinc/17/00/45/588170045.db2.gz CVBGTXXOJRWZGV-PWSUYJOCSA-N 1 2 249.314 0.333 20 0 BCADLO CC(C)ONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844143280 588170077 /nfs/dbraw/zinc/17/00/77/588170077.db2.gz AVTSXRCDXPWIGA-VIFPVBQESA-N 1 2 223.276 0.902 20 0 BCADLO O=C1O[C@@H](C[NH+]2CCOCC2)CN1C1CC1 ZINC000844272489 588178893 /nfs/dbraw/zinc/17/88/93/588178893.db2.gz XDXZYQHYVXWPJT-JTQLQIEISA-N 1 2 226.276 0.302 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844275743 588179404 /nfs/dbraw/zinc/17/94/04/588179404.db2.gz GYKCYHPQFBCBJW-KOLCDFICSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844275743 588179407 /nfs/dbraw/zinc/17/94/07/588179407.db2.gz GYKCYHPQFBCBJW-KOLCDFICSA-N 1 2 240.303 0.690 20 0 BCADLO O=CN1CCC[N@H+](Cc2cc3n(n2)CCC3)CC1 ZINC000844333995 588185849 /nfs/dbraw/zinc/18/58/49/588185849.db2.gz UCGCDFZOGZFPHH-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO O=CN1CCC[N@@H+](Cc2cc3n(n2)CCC3)CC1 ZINC000844333995 588185851 /nfs/dbraw/zinc/18/58/51/588185851.db2.gz UCGCDFZOGZFPHH-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)[C@H](C)CO1 ZINC000844390554 588188824 /nfs/dbraw/zinc/18/88/24/588188824.db2.gz IEMHDMACKJLNRC-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)[C@H](C)CO1 ZINC000844390554 588188825 /nfs/dbraw/zinc/18/88/25/588188825.db2.gz IEMHDMACKJLNRC-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC000844431878 588192325 /nfs/dbraw/zinc/19/23/25/588192325.db2.gz YDSSXTFIZUTXRB-CXJQFOGLSA-N 1 2 205.710 0.944 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC000844431878 588192326 /nfs/dbraw/zinc/19/23/26/588192326.db2.gz YDSSXTFIZUTXRB-CXJQFOGLSA-N 1 2 205.710 0.944 20 0 BCADLO C[S@](=O)CC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844472826 588198127 /nfs/dbraw/zinc/19/81/27/588198127.db2.gz CLCPWPATMDRKBM-LYGAQUJYSA-N 1 2 247.360 0.243 20 0 BCADLO C[S@](=O)CC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844472826 588198128 /nfs/dbraw/zinc/19/81/28/588198128.db2.gz CLCPWPATMDRKBM-LYGAQUJYSA-N 1 2 247.360 0.243 20 0 BCADLO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c(=O)n1C ZINC000844696352 588214161 /nfs/dbraw/zinc/21/41/61/588214161.db2.gz IICGHARDYMNCDV-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c(=O)n1C ZINC000844696352 588214162 /nfs/dbraw/zinc/21/41/62/588214162.db2.gz IICGHARDYMNCDV-UHFFFAOYSA-N 1 2 236.319 0.724 20 0 BCADLO CC[C@@]1(C)CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844697903 588214407 /nfs/dbraw/zinc/21/44/07/588214407.db2.gz SSUBVYKJNWFEAM-LBPRGKRZSA-N 1 2 238.335 0.970 20 0 BCADLO CC[C@@]1(C)CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844697903 588214409 /nfs/dbraw/zinc/21/44/09/588214409.db2.gz SSUBVYKJNWFEAM-LBPRGKRZSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@H+]2CC(C)(C)C[C@H]2C)c(=O)n1C ZINC000844708011 588214862 /nfs/dbraw/zinc/21/48/62/588214862.db2.gz NNXYASHXZAZTIX-SECBINFHSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@@H+]2CC(C)(C)C[C@H]2C)c(=O)n1C ZINC000844708011 588214863 /nfs/dbraw/zinc/21/48/63/588214863.db2.gz NNXYASHXZAZTIX-SECBINFHSA-N 1 2 238.335 0.968 20 0 BCADLO COCCCC[N@H+](C)Cn1nc(C)n(C)c1=O ZINC000844707527 588214909 /nfs/dbraw/zinc/21/49/09/588214909.db2.gz LRAMADASDKFSCD-UHFFFAOYSA-N 1 2 242.323 0.206 20 0 BCADLO COCCCC[N@@H+](C)Cn1nc(C)n(C)c1=O ZINC000844707527 588214910 /nfs/dbraw/zinc/21/49/10/588214910.db2.gz LRAMADASDKFSCD-UHFFFAOYSA-N 1 2 242.323 0.206 20 0 BCADLO O=C1CCCN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844754545 588216187 /nfs/dbraw/zinc/21/61/87/588216187.db2.gz PAOZKFKBMKXGHO-OCAPTIKFSA-N 1 2 216.231 0.763 20 0 BCADLO O=C1CCCN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844754545 588216188 /nfs/dbraw/zinc/21/61/88/588216188.db2.gz PAOZKFKBMKXGHO-OCAPTIKFSA-N 1 2 216.231 0.763 20 0 BCADLO C[C@H](CC(=O)O[C@H]1CCNC1=O)n1cc[nH+]c1 ZINC000845283764 588225945 /nfs/dbraw/zinc/22/59/45/588225945.db2.gz ZNZZFSYFCGKNTJ-BDAKNGLRSA-N 1 2 237.259 0.266 20 0 BCADLO COC1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000845492265 588230699 /nfs/dbraw/zinc/23/06/99/588230699.db2.gz CKRIWQUZDJOHGJ-UHFFFAOYSA-N 1 2 249.314 0.619 20 0 BCADLO Cc1nonc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845547903 588233393 /nfs/dbraw/zinc/23/33/93/588233393.db2.gz CTQIEWYGCIKCOU-MRVPVSSYSA-N 1 2 249.274 0.842 20 0 BCADLO COC/C(C)=C/C(=O)NCc1c[nH+]c[nH]1 ZINC000845581216 588233908 /nfs/dbraw/zinc/23/39/08/588233908.db2.gz UVFLKVDTTDXLPB-FPYGCLRLSA-N 1 2 209.249 0.619 20 0 BCADLO COCC(C)=CC(=O)NCc1c[nH]c[nH+]1 ZINC000845581216 588233909 /nfs/dbraw/zinc/23/39/09/588233909.db2.gz UVFLKVDTTDXLPB-FPYGCLRLSA-N 1 2 209.249 0.619 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000845849034 588247303 /nfs/dbraw/zinc/24/73/03/588247303.db2.gz XGVWRDXJJBLLBT-CYNRKNSPSA-N 1 2 249.314 0.976 20 0 BCADLO COCC(C)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000845849034 588247304 /nfs/dbraw/zinc/24/73/04/588247304.db2.gz XGVWRDXJJBLLBT-CYNRKNSPSA-N 1 2 249.314 0.976 20 0 BCADLO CC[C@@H](NC(=O)Cc1nonc1C)c1[nH]cc[nH+]1 ZINC000845951750 588251415 /nfs/dbraw/zinc/25/14/15/588251415.db2.gz KXAMGOJGFKRHLO-MRVPVSSYSA-N 1 2 249.274 0.911 20 0 BCADLO CC[C@H](NC(=O)Cc1nonc1C)c1[nH]cc[nH+]1 ZINC000845951751 588251473 /nfs/dbraw/zinc/25/14/73/588251473.db2.gz KXAMGOJGFKRHLO-QMMMGPOBSA-N 1 2 249.274 0.911 20 0 BCADLO CCOCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845958383 588251677 /nfs/dbraw/zinc/25/16/77/588251677.db2.gz MOQNIVFIPRDMNL-JTQLQIEISA-N 1 2 241.291 0.919 20 0 BCADLO C[C@H](CC(=O)N1C[C@H]2C[C@@]2(CO)C1)n1cc[nH+]c1 ZINC000845991983 588252743 /nfs/dbraw/zinc/25/27/43/588252743.db2.gz YLHACUQUPQUWOZ-WZRBSPASSA-N 1 2 249.314 0.675 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000846089766 588256384 /nfs/dbraw/zinc/25/63/84/588256384.db2.gz VIPWTMWUNQBODP-BDAKNGLRSA-N 1 2 200.282 0.832 20 0 BCADLO Cn1ncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000846248485 588262722 /nfs/dbraw/zinc/26/27/22/588262722.db2.gz WCJIBHNQJKTOFN-UHFFFAOYSA-N 1 2 234.263 0.203 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCOC(C)(C)C2)OC1=O ZINC000846759859 588286174 /nfs/dbraw/zinc/28/61/74/588286174.db2.gz CONLRTIYEOTPNJ-SNVBAGLBSA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCOC(C)(C)C2)OC1=O ZINC000846759859 588286175 /nfs/dbraw/zinc/28/61/75/588286175.db2.gz CONLRTIYEOTPNJ-SNVBAGLBSA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@H](C[N@@H+]2C[C@H](C)OC[C@H]2C)OC1=O ZINC000846766054 588286627 /nfs/dbraw/zinc/28/66/27/588286627.db2.gz KJRLLQLJATURKE-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2C[C@H](C)OC[C@H]2C)OC1=O ZINC000846766054 588286628 /nfs/dbraw/zinc/28/66/28/588286628.db2.gz KJRLLQLJATURKE-OUAUKWLOSA-N 1 2 242.319 0.936 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846798939 588289199 /nfs/dbraw/zinc/28/91/99/588289199.db2.gz NLDGAWJWOBFFRD-VIFPVBQESA-N 1 2 240.332 0.768 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846798939 588289200 /nfs/dbraw/zinc/28/92/00/588289200.db2.gz NLDGAWJWOBFFRD-VIFPVBQESA-N 1 2 240.332 0.768 20 0 BCADLO CCN1C[C@H](C[N@H+](C)Cc2ccon2)OC1=O ZINC000846805835 588289422 /nfs/dbraw/zinc/28/94/22/588289422.db2.gz GSETXWCCNZGMTC-JTQLQIEISA-N 1 2 239.275 0.947 20 0 BCADLO CCN1C[C@H](C[N@@H+](C)Cc2ccon2)OC1=O ZINC000846805835 588289423 /nfs/dbraw/zinc/28/94/23/588289423.db2.gz GSETXWCCNZGMTC-JTQLQIEISA-N 1 2 239.275 0.947 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@H](C)[C@@H]2C)OC1=O ZINC000846817025 588290663 /nfs/dbraw/zinc/29/06/63/588290663.db2.gz KGNWTPSKCQZNAR-HBNTYKKESA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@H](C)[C@@H]2C)OC1=O ZINC000846817025 588290664 /nfs/dbraw/zinc/29/06/64/588290664.db2.gz KGNWTPSKCQZNAR-HBNTYKKESA-N 1 2 242.319 0.936 20 0 BCADLO COC[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CCCO1 ZINC000846880062 588295327 /nfs/dbraw/zinc/29/53/27/588295327.db2.gz QHGUKBSARGEIIK-ZJUUUORDSA-N 1 2 243.332 0.822 20 0 BCADLO CN1CC[N@H+](CCS(C)(=O)=O)CC1(C)C ZINC000846890318 588295703 /nfs/dbraw/zinc/29/57/03/588295703.db2.gz GKXFASUWKGDBNW-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO CN1CC[N@@H+](CCS(C)(=O)=O)CC1(C)C ZINC000846890318 588295704 /nfs/dbraw/zinc/29/57/04/588295704.db2.gz GKXFASUWKGDBNW-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO C[N@@H+]1CCN(CCS(C)(=O)=O)CC1(C)C ZINC000846890318 588295705 /nfs/dbraw/zinc/29/57/05/588295705.db2.gz GKXFASUWKGDBNW-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO C[N@H+]1CCN(CCS(C)(=O)=O)CC1(C)C ZINC000846890318 588295706 /nfs/dbraw/zinc/29/57/06/588295706.db2.gz GKXFASUWKGDBNW-UHFFFAOYSA-N 1 2 234.365 0.057 20 0 BCADLO CON1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000846972311 588299070 /nfs/dbraw/zinc/29/90/70/588299070.db2.gz QWMRXCQLFRFXSI-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CON1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000846974810 588299359 /nfs/dbraw/zinc/29/93/59/588299359.db2.gz DNWRAKJOWBBDCJ-JTQLQIEISA-N 1 2 222.292 0.717 20 0 BCADLO CON1CC[NH+](Cc2cccnc2)CC1 ZINC000846974726 588299616 /nfs/dbraw/zinc/29/96/16/588299616.db2.gz CSPCYIBZBCENAY-UHFFFAOYSA-N 1 2 207.277 0.761 20 0 BCADLO COC(=O)/C(C)=C/C[NH+]1CCN(OC)CC1 ZINC000846977370 588300044 /nfs/dbraw/zinc/30/00/44/588300044.db2.gz RCZMRXMRCKVLNK-ONNFQVAWSA-N 1 2 228.292 0.285 20 0 BCADLO CON1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000846978535 588300114 /nfs/dbraw/zinc/30/01/14/588300114.db2.gz XWAARRNPAZIENM-NSHDSACASA-N 1 2 241.335 0.175 20 0 BCADLO Cc1nonc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847505297 588314659 /nfs/dbraw/zinc/31/46/59/588314659.db2.gz VSSMKIZNIGLRET-ZETCQYMHSA-N 1 2 249.274 0.596 20 0 BCADLO Cc1nonc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847505297 588314661 /nfs/dbraw/zinc/31/46/61/588314661.db2.gz VSSMKIZNIGLRET-ZETCQYMHSA-N 1 2 249.274 0.596 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CO)CCC1 ZINC000847636837 588321143 /nfs/dbraw/zinc/32/11/43/588321143.db2.gz UEGPVILRAVBMMB-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CO)CCC1 ZINC000847636837 588321140 /nfs/dbraw/zinc/32/11/40/588321140.db2.gz UEGPVILRAVBMMB-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO CCOCCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847753260 588328975 /nfs/dbraw/zinc/32/89/75/588328975.db2.gz CXJKHKJNOMRQCO-SECBINFHSA-N 1 2 241.291 0.673 20 0 BCADLO CCOCCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847753260 588328977 /nfs/dbraw/zinc/32/89/77/588328977.db2.gz CXJKHKJNOMRQCO-SECBINFHSA-N 1 2 241.291 0.673 20 0 BCADLO CCO/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000848063073 588352843 /nfs/dbraw/zinc/35/28/43/588352843.db2.gz KWEUILUMNZAJFA-PORFMDCZSA-N 1 2 235.287 0.864 20 0 BCADLO C=C=CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000848116017 588358145 /nfs/dbraw/zinc/35/81/45/588358145.db2.gz YMWMNIUGWAROKH-JTQLQIEISA-N 1 2 210.277 0.164 20 0 BCADLO C=C=CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000848116017 588358146 /nfs/dbraw/zinc/35/81/46/588358146.db2.gz YMWMNIUGWAROKH-JTQLQIEISA-N 1 2 210.277 0.164 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000848157724 588361855 /nfs/dbraw/zinc/36/18/55/588361855.db2.gz KLYCJFNIUGOXQO-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO COCOCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000848170414 588364296 /nfs/dbraw/zinc/36/42/96/588364296.db2.gz OPPUVRYPUSOAII-UHFFFAOYSA-N 1 2 227.264 0.459 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)/C=C/COC ZINC000848174663 588365008 /nfs/dbraw/zinc/36/50/08/588365008.db2.gz RJVQZBQAOIIYRS-SNAWJCMRSA-N 1 2 223.276 0.722 20 0 BCADLO CCn1nc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000848387033 588376144 /nfs/dbraw/zinc/37/61/44/588376144.db2.gz FXNMLCMWKXSBOC-MRVPVSSYSA-N 1 2 248.290 0.821 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848558789 588397037 /nfs/dbraw/zinc/39/70/37/588397037.db2.gz SLVJFJKXLDEPOL-RKDXNWHRSA-N 1 2 232.349 0.928 20 0 BCADLO COc1c(C)[nH+]cnc1NCCn1cncn1 ZINC000848662579 588404132 /nfs/dbraw/zinc/40/41/32/588404132.db2.gz AJGHKTZRMIFRNV-UHFFFAOYSA-N 1 2 234.263 0.497 20 0 BCADLO COc1c(C)[nH+]cnc1NCC[S@@](C)=O ZINC000848665943 588404449 /nfs/dbraw/zinc/40/44/49/588404449.db2.gz QOHZKHTZBJGDLM-OAHLLOKOSA-N 1 2 229.305 0.584 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@H](O)C2)cnc1Cl ZINC000848880240 588416293 /nfs/dbraw/zinc/41/62/93/588416293.db2.gz CTOJUPXEJRHLRK-QMMMGPOBSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1c(C[N@H+]2CC[C@H](O)C2)cnc1Cl ZINC000848880240 588416294 /nfs/dbraw/zinc/41/62/94/588416294.db2.gz CTOJUPXEJRHLRK-QMMMGPOBSA-N 1 2 215.684 0.640 20 0 BCADLO CC[C@H](O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849151327 588456126 /nfs/dbraw/zinc/45/61/26/588456126.db2.gz UUNUSFBFGUNLME-NSHDSACASA-N 1 2 234.259 0.598 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000849168295 588458952 /nfs/dbraw/zinc/45/89/52/588458952.db2.gz JDJVCWJQDBKXSF-ZJUUUORDSA-N 1 2 213.277 0.518 20 0 BCADLO CC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000108358936 588460945 /nfs/dbraw/zinc/46/09/45/588460945.db2.gz HNKVCYGLPWSDGS-UHFFFAOYSA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000108358936 588460946 /nfs/dbraw/zinc/46/09/46/588460946.db2.gz HNKVCYGLPWSDGS-UHFFFAOYSA-N 1 2 212.293 0.518 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)c1ccccc1C ZINC000849213612 588461540 /nfs/dbraw/zinc/46/15/40/588461540.db2.gz MPOHGDLDZVZXTE-UHFFFAOYSA-N 1 2 235.287 0.978 20 0 BCADLO Cn1c[nH+]cc1CNC(=S)NCC1CC1 ZINC000849263687 588467509 /nfs/dbraw/zinc/46/75/09/588467509.db2.gz UCBOWEUEJGWDKM-UHFFFAOYSA-N 1 2 224.333 0.794 20 0 BCADLO CNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000849280503 588469576 /nfs/dbraw/zinc/46/95/76/588469576.db2.gz DPNOHZQNZOAWHP-BDAKNGLRSA-N 1 2 231.365 0.190 20 0 BCADLO CNC(=S)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000849280503 588469577 /nfs/dbraw/zinc/46/95/77/588469577.db2.gz DPNOHZQNZOAWHP-BDAKNGLRSA-N 1 2 231.365 0.190 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2=O)c2ncnn21 ZINC000849321476 588471881 /nfs/dbraw/zinc/47/18/81/588471881.db2.gz GBKUWNORTFHQSP-BBBLOLIVSA-N 1 2 249.318 0.542 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCOC1=O)C1CCOCC1 ZINC000849321539 588471971 /nfs/dbraw/zinc/47/19/71/588471971.db2.gz HOBUXLJGUYUYMT-QWRGUYRKSA-N 1 2 243.303 0.333 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2=O)c2ncnn21 ZINC000849321477 588472131 /nfs/dbraw/zinc/47/21/31/588472131.db2.gz GBKUWNORTFHQSP-KXUCPTDWSA-N 1 2 249.318 0.542 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)c2ncnn21 ZINC000849322375 588472550 /nfs/dbraw/zinc/47/25/50/588472550.db2.gz RHXWDAANGDMNBJ-OPRDCNLKSA-N 1 2 249.318 0.494 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1C=CCC1 ZINC000849360173 588475257 /nfs/dbraw/zinc/47/52/57/588475257.db2.gz YVEKGDPSMAGGGT-UWVGGRQHSA-N 1 2 246.270 0.591 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1C=CCC1 ZINC000849360173 588475258 /nfs/dbraw/zinc/47/52/58/588475258.db2.gz YVEKGDPSMAGGGT-UWVGGRQHSA-N 1 2 246.270 0.591 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H](O)C(C)C)C1 ZINC000849734467 588491412 /nfs/dbraw/zinc/49/14/12/588491412.db2.gz IOZYNIAKUNJCQH-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H](O)C(C)C)C1 ZINC000849734467 588491414 /nfs/dbraw/zinc/49/14/14/588491414.db2.gz IOZYNIAKUNJCQH-MNOVXSKESA-N 1 2 245.319 0.267 20 0 BCADLO O=C(CCCF)OCC[NH+]1CCOCC1 ZINC000850193055 588525986 /nfs/dbraw/zinc/52/59/86/588525986.db2.gz KRBYXCIMPJJCBA-UHFFFAOYSA-N 1 2 219.256 0.612 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCCF ZINC000850195129 588526685 /nfs/dbraw/zinc/52/66/85/588526685.db2.gz MWRZVXLRDLKDOC-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO Cc1c[nH]c(CN[C@@H](C)c2nnnn2C2CC2)[nH+]1 ZINC000850276344 588534365 /nfs/dbraw/zinc/53/43/65/588534365.db2.gz GQYWJWVWUQNYDP-QMMMGPOBSA-N 1 2 247.306 0.890 20 0 BCADLO C[C@H]1CO[C@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000885579834 588562729 /nfs/dbraw/zinc/56/27/29/588562729.db2.gz OLNMUYYIXVCVBV-KOLCDFICSA-N 1 2 238.287 0.931 20 0 BCADLO CN(C)C(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851714478 588615701 /nfs/dbraw/zinc/61/57/01/588615701.db2.gz RCTRZMNGYDWZSC-UHFFFAOYSA-N 1 2 238.291 0.370 20 0 BCADLO COCC[NH+](CCOC)Cc1cnon1 ZINC000851714668 588615976 /nfs/dbraw/zinc/61/59/76/588615976.db2.gz IYXLWMNVAWRSQF-UHFFFAOYSA-N 1 2 215.253 0.164 20 0 BCADLO OC[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000851728472 588618518 /nfs/dbraw/zinc/61/85/18/588618518.db2.gz BJVNAOWSYXKXAU-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO OC[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000851728472 588618519 /nfs/dbraw/zinc/61/85/19/588618519.db2.gz BJVNAOWSYXKXAU-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO OC[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000851728479 588618669 /nfs/dbraw/zinc/61/86/69/588618669.db2.gz BJVNAOWSYXKXAU-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO OC[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000851728479 588618670 /nfs/dbraw/zinc/61/86/70/588618670.db2.gz BJVNAOWSYXKXAU-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851728787 588618814 /nfs/dbraw/zinc/61/88/14/588618814.db2.gz SLDKLPUQUUFHSP-SECBINFHSA-N 1 2 224.264 0.170 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851728787 588618815 /nfs/dbraw/zinc/61/88/15/588618815.db2.gz SLDKLPUQUUFHSP-SECBINFHSA-N 1 2 224.264 0.170 20 0 BCADLO COC(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851731857 588619679 /nfs/dbraw/zinc/61/96/79/588619679.db2.gz ZQBBHJGHJOWHQE-SECBINFHSA-N 1 2 242.275 0.076 20 0 BCADLO O[C@@H](C[NH+]1CCN(C2CC2)CC1)c1ccccn1 ZINC000851737514 588620979 /nfs/dbraw/zinc/62/09/79/588620979.db2.gz GLJIBXUVRXJPMZ-AWEZNQCLSA-N 1 2 247.342 0.895 20 0 BCADLO CO[C@@H]1CC[C@H](N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000851750850 588623172 /nfs/dbraw/zinc/62/31/72/588623172.db2.gz LAZAZBLDBGKNNM-RWMBFGLXSA-N 1 2 242.363 0.552 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(OC)OC ZINC000851750007 588623178 /nfs/dbraw/zinc/62/31/78/588623178.db2.gz UAROTRXRVDXBRW-UHFFFAOYSA-N 1 2 233.308 0.927 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOC(F)F ZINC000851763711 588624765 /nfs/dbraw/zinc/62/47/65/588624765.db2.gz DBUJXAFRTOOJRH-MRVPVSSYSA-N 1 2 236.262 0.682 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOC(F)F ZINC000851763711 588624766 /nfs/dbraw/zinc/62/47/66/588624766.db2.gz DBUJXAFRTOOJRH-MRVPVSSYSA-N 1 2 236.262 0.682 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851772421 588625746 /nfs/dbraw/zinc/62/57/46/588625746.db2.gz HEINYBKPGANSQN-JTQLQIEISA-N 1 2 227.264 0.043 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851772421 588625747 /nfs/dbraw/zinc/62/57/47/588625747.db2.gz HEINYBKPGANSQN-JTQLQIEISA-N 1 2 227.264 0.043 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851778166 588627166 /nfs/dbraw/zinc/62/71/66/588627166.db2.gz DZTBRRJNLMGRFD-UWVGGRQHSA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851778166 588627167 /nfs/dbraw/zinc/62/71/67/588627167.db2.gz DZTBRRJNLMGRFD-UWVGGRQHSA-N 1 2 242.319 0.348 20 0 BCADLO CCC1(O)CC[NH+](Cc2cnon2)CC1 ZINC000851783420 588627672 /nfs/dbraw/zinc/62/76/72/588627672.db2.gz BLXFRFMJXDNDLI-UHFFFAOYSA-N 1 2 211.265 0.807 20 0 BCADLO CCn1ncc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000851784269 588628028 /nfs/dbraw/zinc/62/80/28/588628028.db2.gz JEKOUAVHHYVJEZ-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000851784269 588628029 /nfs/dbraw/zinc/62/80/29/588628029.db2.gz JEKOUAVHHYVJEZ-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO COC(=O)C[N@H+](CCOC(F)F)C1CC1 ZINC000851802572 588630668 /nfs/dbraw/zinc/63/06/68/588630668.db2.gz JOGGDCAPZPMRBT-UHFFFAOYSA-N 1 2 223.219 0.863 20 0 BCADLO COC(=O)C[N@@H+](CCOC(F)F)C1CC1 ZINC000851802572 588630669 /nfs/dbraw/zinc/63/06/69/588630669.db2.gz JOGGDCAPZPMRBT-UHFFFAOYSA-N 1 2 223.219 0.863 20 0 BCADLO C[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1nnc[nH]1 ZINC000851803134 588631431 /nfs/dbraw/zinc/63/14/31/588631431.db2.gz OTWUDXIARKLTGL-SECBINFHSA-N 1 2 240.307 0.778 20 0 BCADLO C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1nnc[nH]1 ZINC000851803134 588631432 /nfs/dbraw/zinc/63/14/32/588631432.db2.gz OTWUDXIARKLTGL-SECBINFHSA-N 1 2 240.307 0.778 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000851862646 588636268 /nfs/dbraw/zinc/63/62/68/588636268.db2.gz COSQSOUQYAAAFR-JTQLQIEISA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000851862646 588636269 /nfs/dbraw/zinc/63/62/69/588636269.db2.gz COSQSOUQYAAAFR-JTQLQIEISA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000851862646 588636270 /nfs/dbraw/zinc/63/62/70/588636270.db2.gz COSQSOUQYAAAFR-JTQLQIEISA-N 1 2 237.303 0.919 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000851862646 588636271 /nfs/dbraw/zinc/63/62/71/588636271.db2.gz COSQSOUQYAAAFR-JTQLQIEISA-N 1 2 237.303 0.919 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1cnccn1 ZINC000851877849 588638703 /nfs/dbraw/zinc/63/87/03/588638703.db2.gz SZDWTMDNFNPHSG-BDAKNGLRSA-N 1 2 218.260 0.509 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1cnccn1 ZINC000851877849 588638704 /nfs/dbraw/zinc/63/87/04/588638704.db2.gz SZDWTMDNFNPHSG-BDAKNGLRSA-N 1 2 218.260 0.509 20 0 BCADLO C[N@H+](CCCn1ccnc1)Cc1cnon1 ZINC000851882533 588639222 /nfs/dbraw/zinc/63/92/22/588639222.db2.gz ZKVJEEUHCXGRMH-UHFFFAOYSA-N 1 2 221.264 0.788 20 0 BCADLO C[N@@H+](CCCn1ccnc1)Cc1cnon1 ZINC000851882533 588639223 /nfs/dbraw/zinc/63/92/23/588639223.db2.gz ZKVJEEUHCXGRMH-UHFFFAOYSA-N 1 2 221.264 0.788 20 0 BCADLO COC(C[N@H+](CCCO)Cc1cc[nH]n1)OC ZINC000851917706 588643061 /nfs/dbraw/zinc/64/30/61/588643061.db2.gz LMLGEAGIJSCXSP-UHFFFAOYSA-N 1 2 243.307 0.213 20 0 BCADLO COC(C[N@@H+](CCCO)Cc1cc[nH]n1)OC ZINC000851917706 588643062 /nfs/dbraw/zinc/64/30/62/588643062.db2.gz LMLGEAGIJSCXSP-UHFFFAOYSA-N 1 2 243.307 0.213 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)n(C)n1 ZINC000851922546 588643184 /nfs/dbraw/zinc/64/31/84/588643184.db2.gz JLTIMWQSKCYEOY-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)n(C)n1 ZINC000851922546 588643185 /nfs/dbraw/zinc/64/31/85/588643185.db2.gz JLTIMWQSKCYEOY-QFYYESIMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](C[C@H]1CCC(=O)O1)CC2 ZINC000851919533 588643615 /nfs/dbraw/zinc/64/36/15/588643615.db2.gz LCPHOJWAVLPADS-SNVBAGLBSA-N 1 2 235.287 0.713 20 0 BCADLO Cc1cn2c(n1)C[N@H+](C[C@H]1CCC(=O)O1)CC2 ZINC000851919533 588643616 /nfs/dbraw/zinc/64/36/16/588643616.db2.gz LCPHOJWAVLPADS-SNVBAGLBSA-N 1 2 235.287 0.713 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851958116 588647853 /nfs/dbraw/zinc/64/78/53/588647853.db2.gz XKPCMVHUJFYRAA-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851958116 588647854 /nfs/dbraw/zinc/64/78/54/588647854.db2.gz XKPCMVHUJFYRAA-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851957237 588647940 /nfs/dbraw/zinc/64/79/40/588647940.db2.gz MZRZAUHTSCNSCK-UWVGGRQHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851957237 588647941 /nfs/dbraw/zinc/64/79/41/588647941.db2.gz MZRZAUHTSCNSCK-UWVGGRQHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851968063 588648855 /nfs/dbraw/zinc/64/88/55/588648855.db2.gz JOGAWCKZLQRHPW-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851968063 588648856 /nfs/dbraw/zinc/64/88/56/588648856.db2.gz JOGAWCKZLQRHPW-NXEZZACHSA-N 1 2 242.319 0.300 20 0 BCADLO CC1(C)C[N@H+](Cc2cnon2)CC[C@@H]1O ZINC000851969291 588649095 /nfs/dbraw/zinc/64/90/95/588649095.db2.gz ZDDXUQNZIJWJLP-VIFPVBQESA-N 1 2 211.265 0.662 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnon2)CC[C@@H]1O ZINC000851969291 588649096 /nfs/dbraw/zinc/64/90/96/588649096.db2.gz ZDDXUQNZIJWJLP-VIFPVBQESA-N 1 2 211.265 0.662 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851968285 588649198 /nfs/dbraw/zinc/64/91/98/588649198.db2.gz LTASIOJZQBTSQZ-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851968285 588649199 /nfs/dbraw/zinc/64/91/99/588649199.db2.gz LTASIOJZQBTSQZ-ZYHUDNBSSA-N 1 2 249.314 0.278 20 0 BCADLO COC(CC[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000851975030 588650286 /nfs/dbraw/zinc/65/02/86/588650286.db2.gz AQLUWWNYDRVWOO-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO COC(CC[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000851975030 588650287 /nfs/dbraw/zinc/65/02/87/588650287.db2.gz AQLUWWNYDRVWOO-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852006864 588654854 /nfs/dbraw/zinc/65/48/54/588654854.db2.gz UDLLRKSXURSUON-IUCAKERBSA-N 1 2 231.292 0.631 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852006864 588654855 /nfs/dbraw/zinc/65/48/55/588654855.db2.gz UDLLRKSXURSUON-IUCAKERBSA-N 1 2 231.292 0.631 20 0 BCADLO O=C1CC[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000852017270 588655863 /nfs/dbraw/zinc/65/58/63/588655863.db2.gz XLVDLCXVGWFXMJ-SFYZADRCSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1CC[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000852017270 588655864 /nfs/dbraw/zinc/65/58/64/588655864.db2.gz XLVDLCXVGWFXMJ-SFYZADRCSA-N 1 2 235.230 0.658 20 0 BCADLO CC(C)[C@](C)([NH2+]Cc1cnon1)C(N)=O ZINC000852039058 588657238 /nfs/dbraw/zinc/65/72/38/588657238.db2.gz BUJWIITUULCJMY-VIFPVBQESA-N 1 2 212.253 0.059 20 0 BCADLO CO[C@H](C[NH2+][C@]1(C)CCOC1=O)[C@H]1CCOC1 ZINC000852062409 588658521 /nfs/dbraw/zinc/65/85/21/588658521.db2.gz DQBZKDOEAJGGHO-HOSYDEDBSA-N 1 2 243.303 0.333 20 0 BCADLO CC1(C)OC[C@@H](C[NH2+][C@]2(C)CCOC2=O)O1 ZINC000852063526 588658747 /nfs/dbraw/zinc/65/87/47/588658747.db2.gz QOMJYADVKJMPFD-LDYMZIIASA-N 1 2 229.276 0.433 20 0 BCADLO Cc1cc(C[N@@H+]2CCCN(C=O)CC2)nn1C ZINC000852072565 588659290 /nfs/dbraw/zinc/65/92/90/588659290.db2.gz CNRKMHPXSJQVRM-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1cc(C[N@H+]2CCCN(C=O)CC2)nn1C ZINC000852072565 588659291 /nfs/dbraw/zinc/65/92/91/588659291.db2.gz CNRKMHPXSJQVRM-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000852079875 588660305 /nfs/dbraw/zinc/66/03/05/588660305.db2.gz QSXBHHBEIVFKIC-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000852079875 588660306 /nfs/dbraw/zinc/66/03/06/588660306.db2.gz QSXBHHBEIVFKIC-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO C[N@H+](C[C@H]1CCC(=O)O1)[C@@H]1CC(C)(C)OC1=O ZINC000852080483 588660655 /nfs/dbraw/zinc/66/06/55/588660655.db2.gz ZWUKJWLWIPRIQT-RKDXNWHRSA-N 1 2 241.287 0.718 20 0 BCADLO C[N@@H+](C[C@H]1CCC(=O)O1)[C@@H]1CC(C)(C)OC1=O ZINC000852080483 588660656 /nfs/dbraw/zinc/66/06/56/588660656.db2.gz ZWUKJWLWIPRIQT-RKDXNWHRSA-N 1 2 241.287 0.718 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1C=CCC1 ZINC000852125128 588665668 /nfs/dbraw/zinc/66/56/68/588665668.db2.gz LLBGAWZHMDATTC-VIFPVBQESA-N 1 2 220.276 0.938 20 0 BCADLO CC(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000852125149 588665754 /nfs/dbraw/zinc/66/57/54/588665754.db2.gz DGVABSQCJIYGQI-UHFFFAOYSA-N 1 2 209.249 0.871 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)n1 ZINC000852138288 588666603 /nfs/dbraw/zinc/66/66/03/588666603.db2.gz MJRYJGZNSGUEAV-SECBINFHSA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000852138288 588666604 /nfs/dbraw/zinc/66/66/04/588666604.db2.gz MJRYJGZNSGUEAV-SECBINFHSA-N 1 2 223.251 0.670 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CC(F)(F)C1 ZINC000852159845 588668047 /nfs/dbraw/zinc/66/80/47/588668047.db2.gz SUMQHKMWZWEOBY-SECBINFHSA-N 1 2 237.246 0.545 20 0 BCADLO OCC1([N@H+](Cc2cnon2)C2CC2)CCC1 ZINC000852159779 588668105 /nfs/dbraw/zinc/66/81/05/588668105.db2.gz RJINJNVIHHDEFY-UHFFFAOYSA-N 1 2 223.276 0.949 20 0 BCADLO OCC1([N@@H+](Cc2cnon2)C2CC2)CCC1 ZINC000852159779 588668106 /nfs/dbraw/zinc/66/81/06/588668106.db2.gz RJINJNVIHHDEFY-UHFFFAOYSA-N 1 2 223.276 0.949 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC000852177241 588669554 /nfs/dbraw/zinc/66/95/54/588669554.db2.gz ILCRARYZGMPTJI-NSHDSACASA-N 1 2 239.275 0.845 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC000852177241 588669555 /nfs/dbraw/zinc/66/95/55/588669555.db2.gz ILCRARYZGMPTJI-NSHDSACASA-N 1 2 239.275 0.845 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)c1ccccc1 ZINC000852187301 588670646 /nfs/dbraw/zinc/67/06/46/588670646.db2.gz PBJSFKIWVMLGEI-JTQLQIEISA-N 1 2 249.270 0.941 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)c1ccccc1 ZINC000852187301 588670647 /nfs/dbraw/zinc/67/06/47/588670647.db2.gz PBJSFKIWVMLGEI-JTQLQIEISA-N 1 2 249.270 0.941 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1COC(C)(C)O1 ZINC000852186784 588670724 /nfs/dbraw/zinc/67/07/24/588670724.db2.gz IZCFNDDWXUPANT-SSDOTTSWSA-N 1 2 243.263 0.359 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1COC(C)(C)O1 ZINC000852186784 588670725 /nfs/dbraw/zinc/67/07/25/588670725.db2.gz IZCFNDDWXUPANT-SSDOTTSWSA-N 1 2 243.263 0.359 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852218477 588673857 /nfs/dbraw/zinc/67/38/57/588673857.db2.gz IVFMVLGBIHRIPS-MRVPVSSYSA-N 1 2 225.248 0.515 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852218477 588673858 /nfs/dbraw/zinc/67/38/58/588673858.db2.gz IVFMVLGBIHRIPS-MRVPVSSYSA-N 1 2 225.248 0.515 20 0 BCADLO CCOCCONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852257122 588674647 /nfs/dbraw/zinc/67/46/47/588674647.db2.gz OWFINWYDGTVOIC-UHFFFAOYSA-N 1 2 242.279 0.519 20 0 BCADLO CCOCCONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852257122 588674648 /nfs/dbraw/zinc/67/46/48/588674648.db2.gz OWFINWYDGTVOIC-UHFFFAOYSA-N 1 2 242.279 0.519 20 0 BCADLO CCn1nc(C)c(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000852287196 588675763 /nfs/dbraw/zinc/67/57/63/588675763.db2.gz CIQVIWXJROJFLJ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO CCn1nc(C)c(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000852287196 588675764 /nfs/dbraw/zinc/67/57/64/588675764.db2.gz CIQVIWXJROJFLJ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287496 588675922 /nfs/dbraw/zinc/67/59/22/588675922.db2.gz ZBFYEAGWLFVPIT-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287496 588675923 /nfs/dbraw/zinc/67/59/23/588675923.db2.gz ZBFYEAGWLFVPIT-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO O=C1CCC2=C(CC[N@H+](Cc3cc[nH]n3)C2)N1 ZINC000852295601 588676818 /nfs/dbraw/zinc/67/68/18/588676818.db2.gz FYSRGLIKHNSRQU-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@@H+](Cc3cc[nH]n3)C2)N1 ZINC000852295601 588676819 /nfs/dbraw/zinc/67/68/19/588676819.db2.gz FYSRGLIKHNSRQU-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@H+](Cc3ncc[nH]3)C2)N1 ZINC000852299009 588677202 /nfs/dbraw/zinc/67/72/02/588677202.db2.gz LFIQRDFRODTSAV-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CC[N@@H+](Cc3ncc[nH]3)C2)N1 ZINC000852299009 588677203 /nfs/dbraw/zinc/67/72/03/588677203.db2.gz LFIQRDFRODTSAV-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO O=C1CCC2=C(CCN(Cc3[nH]cc[nH+]3)C2)N1 ZINC000852299009 588677204 /nfs/dbraw/zinc/67/72/04/588677204.db2.gz LFIQRDFRODTSAV-UHFFFAOYSA-N 1 2 232.287 0.780 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852322863 588678496 /nfs/dbraw/zinc/67/84/96/588678496.db2.gz ROMRLTCOTMLNAH-GFCCVEGCSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852322863 588678497 /nfs/dbraw/zinc/67/84/97/588678497.db2.gz ROMRLTCOTMLNAH-GFCCVEGCSA-N 1 2 242.319 0.507 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC000852323720 588678839 /nfs/dbraw/zinc/67/88/39/588678839.db2.gz LMKNCQODVRGVHQ-JQWIXIFHSA-N 1 2 225.288 0.803 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+]([C@H]2CCOC2=O)CCO1 ZINC000852323720 588678840 /nfs/dbraw/zinc/67/88/40/588678840.db2.gz LMKNCQODVRGVHQ-JQWIXIFHSA-N 1 2 225.288 0.803 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000852438474 588682124 /nfs/dbraw/zinc/68/21/24/588682124.db2.gz RCUPGMJVJPTVCD-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000852438474 588682125 /nfs/dbraw/zinc/68/21/25/588682125.db2.gz RCUPGMJVJPTVCD-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO COCCN(CCF)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000852481655 588684277 /nfs/dbraw/zinc/68/42/77/588684277.db2.gz PLVPXLKLHKLXRT-LBPRGKRZSA-N 1 2 248.342 0.625 20 0 BCADLO COCCN(CCF)CC[N@H+]1CCO[C@@H](C)C1 ZINC000852481655 588684278 /nfs/dbraw/zinc/68/42/78/588684278.db2.gz PLVPXLKLHKLXRT-LBPRGKRZSA-N 1 2 248.342 0.625 20 0 BCADLO COCC[N@H+](CCF)CC(=O)N1CCCCC1 ZINC000852485718 588685162 /nfs/dbraw/zinc/68/51/62/588685162.db2.gz ZWVPKPIHMJTSKQ-UHFFFAOYSA-N 1 2 246.326 0.917 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)N1CCCCC1 ZINC000852485718 588685163 /nfs/dbraw/zinc/68/51/63/588685163.db2.gz ZWVPKPIHMJTSKQ-UHFFFAOYSA-N 1 2 246.326 0.917 20 0 BCADLO Cc1nonc1C[N@H+](C)C[C@H]1COCCO1 ZINC000852497777 588685839 /nfs/dbraw/zinc/68/58/39/588685839.db2.gz ZQOOUFXRYSSZIS-VIFPVBQESA-N 1 2 227.264 0.225 20 0 BCADLO Cc1nonc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000852497777 588685840 /nfs/dbraw/zinc/68/58/40/588685840.db2.gz ZQOOUFXRYSSZIS-VIFPVBQESA-N 1 2 227.264 0.225 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC000852568779 588691296 /nfs/dbraw/zinc/69/12/96/588691296.db2.gz OOAFUNLOFQGAMN-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC000852568779 588691297 /nfs/dbraw/zinc/69/12/97/588691297.db2.gz OOAFUNLOFQGAMN-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000852683755 588695637 /nfs/dbraw/zinc/69/56/37/588695637.db2.gz SCKHIZMNBKWGTJ-UHFFFAOYSA-N 1 2 208.265 0.037 20 0 BCADLO Cn1ncc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000852683755 588695638 /nfs/dbraw/zinc/69/56/38/588695638.db2.gz SCKHIZMNBKWGTJ-UHFFFAOYSA-N 1 2 208.265 0.037 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cnon2)C1 ZINC000852696930 588696107 /nfs/dbraw/zinc/69/61/07/588696107.db2.gz SOZRFNNWNMFEBX-OTSSQURYSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cnon2)C1 ZINC000852696930 588696106 /nfs/dbraw/zinc/69/61/06/588696106.db2.gz SOZRFNNWNMFEBX-OTSSQURYSA-N 1 2 225.248 0.453 20 0 BCADLO CC[C@H]([NH2+]C)C(=O)N=c1sccn1C ZINC000852784058 588700584 /nfs/dbraw/zinc/70/05/84/588700584.db2.gz BOWFODKPDNHKHT-ZETCQYMHSA-N 1 2 213.306 0.512 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000852765013 588700863 /nfs/dbraw/zinc/70/08/63/588700863.db2.gz OEFDWYNISVBAML-UHFFFAOYSA-N 1 2 238.291 0.730 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000852765013 588700864 /nfs/dbraw/zinc/70/08/64/588700864.db2.gz OEFDWYNISVBAML-UHFFFAOYSA-N 1 2 238.291 0.730 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)c1cccnn1 ZINC000860683675 589114300 /nfs/dbraw/zinc/11/43/00/589114300.db2.gz HPULMRMXOHJASQ-UHFFFAOYSA-N 1 2 246.270 1.000 20 0 BCADLO COC1CC(C(=O)O[C@H]2CC[N@H+](CCF)C2)C1 ZINC000860718944 589116148 /nfs/dbraw/zinc/11/61/48/589116148.db2.gz NAILIKUNQYNWEM-YVNMAJEFSA-N 1 2 245.294 0.998 20 0 BCADLO COC1CC(C(=O)O[C@H]2CC[N@@H+](CCF)C2)C1 ZINC000860718944 589116149 /nfs/dbraw/zinc/11/61/49/589116149.db2.gz NAILIKUNQYNWEM-YVNMAJEFSA-N 1 2 245.294 0.998 20 0 BCADLO COC[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000885798789 589166549 /nfs/dbraw/zinc/16/65/49/589166549.db2.gz NRYRALCFNHZORT-LLVKDONJSA-N 1 2 239.319 0.918 20 0 BCADLO COC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000885798637 589166840 /nfs/dbraw/zinc/16/68/40/589166840.db2.gz KNULOABAJGNYGH-JTQLQIEISA-N 1 2 239.319 0.987 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCS[C@H](C)C1 ZINC000118397633 589169804 /nfs/dbraw/zinc/16/98/04/589169804.db2.gz ANCBHIMGGKIRON-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCS[C@H](C)C1 ZINC000118397633 589169805 /nfs/dbraw/zinc/16/98/05/589169805.db2.gz ANCBHIMGGKIRON-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000118396793 589169946 /nfs/dbraw/zinc/16/99/46/589169946.db2.gz GDDLMDHHPHTMSZ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000118396793 589169947 /nfs/dbraw/zinc/16/99/47/589169947.db2.gz GDDLMDHHPHTMSZ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCO/C=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763314 589177004 /nfs/dbraw/zinc/17/70/04/589177004.db2.gz PBEATOKMNAZPNV-GQCTYLIASA-N 1 2 221.260 0.845 20 0 BCADLO CCO/C=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763314 589177006 /nfs/dbraw/zinc/17/70/06/589177006.db2.gz PBEATOKMNAZPNV-GQCTYLIASA-N 1 2 221.260 0.845 20 0 BCADLO CCC[C@@H](O)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760474 589177272 /nfs/dbraw/zinc/17/72/72/589177272.db2.gz GDDVIFKHDQUPHQ-SECBINFHSA-N 1 2 237.303 0.846 20 0 BCADLO CCC[C@@H](O)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760474 589177273 /nfs/dbraw/zinc/17/72/73/589177273.db2.gz GDDVIFKHDQUPHQ-SECBINFHSA-N 1 2 237.303 0.846 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000861800683 589179028 /nfs/dbraw/zinc/17/90/28/589179028.db2.gz YEFADFUYWODCEG-SECBINFHSA-N 1 2 233.275 0.792 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000861853302 589180339 /nfs/dbraw/zinc/18/03/39/589180339.db2.gz OWXKADNUVFFNPK-RTBKNWGFSA-N 1 2 235.287 0.869 20 0 BCADLO COc1nc(C(=O)N[C@H]2CCn3cc[nH+]c32)co1 ZINC000861852020 589180604 /nfs/dbraw/zinc/18/06/04/589180604.db2.gz BUBQAYFNNQHRAI-ZETCQYMHSA-N 1 2 248.242 0.755 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1COCO1 ZINC000861968139 589185713 /nfs/dbraw/zinc/18/57/13/589185713.db2.gz QUVOWXGGBRDRAW-JTQLQIEISA-N 1 2 239.275 0.152 20 0 BCADLO CCN(CC(=O)NC)Cc1[nH]cc(C)[nH+]1 ZINC000862221238 589194858 /nfs/dbraw/zinc/19/48/58/589194858.db2.gz XIUBCDAWPRTLAS-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO Cc1[nH]c(CN2CCC3(C2)OCCO3)[nH+]c1C ZINC000862238981 589196510 /nfs/dbraw/zinc/19/65/10/589196510.db2.gz QPXONCQRMLGGTO-UHFFFAOYSA-N 1 2 237.303 0.975 20 0 BCADLO COC(=O)[C@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000862244627 589196777 /nfs/dbraw/zinc/19/67/77/589196777.db2.gz QMHSQSQFSOWQIX-SECBINFHSA-N 1 2 239.275 0.092 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C)C[C@@H]2C)[nH+]c1C ZINC000862336414 589201072 /nfs/dbraw/zinc/20/10/72/589201072.db2.gz GKYQPXRSDAPETN-QMMMGPOBSA-N 1 2 236.319 0.689 20 0 BCADLO Cc1c[nH]c(CN2CC3(C2)CN(C)C(=O)O3)[nH+]1 ZINC000862397276 589208677 /nfs/dbraw/zinc/20/86/77/589208677.db2.gz NGCASSBFCUNHKS-UHFFFAOYSA-N 1 2 236.275 0.355 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1oc(C)nc1C ZINC000862403990 589209820 /nfs/dbraw/zinc/20/98/20/589209820.db2.gz ZTASLTFAQYZKST-UHFFFAOYSA-N 1 2 241.291 0.791 20 0 BCADLO OCC[NH+](CCO)Cc1cc(F)ncc1F ZINC000862429426 589212293 /nfs/dbraw/zinc/21/22/93/589212293.db2.gz GXEPCXJRDIMLRE-UHFFFAOYSA-N 1 2 232.230 0.146 20 0 BCADLO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000862466882 589216709 /nfs/dbraw/zinc/21/67/09/589216709.db2.gz RYFPFCKGHHRAQB-SECBINFHSA-N 1 2 221.260 0.761 20 0 BCADLO CC(C)(C(=O)NN1CCOC1=O)c1c[nH]c[nH+]1 ZINC000862704110 589235127 /nfs/dbraw/zinc/23/51/27/589235127.db2.gz ZANZRIJOZBYHAT-UHFFFAOYSA-N 1 2 238.247 0.171 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C(N)=O ZINC000119059821 589237058 /nfs/dbraw/zinc/23/70/58/589237058.db2.gz PQWYQMJGMGVZIO-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C(N)=O ZINC000119059821 589237059 /nfs/dbraw/zinc/23/70/59/589237059.db2.gz PQWYQMJGMGVZIO-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nn1cccn1 ZINC000862768143 589239277 /nfs/dbraw/zinc/23/92/77/589239277.db2.gz UVBMDQFAXIUSAE-UHFFFAOYSA-N 1 2 219.248 0.320 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1OCCO1)C(C)C ZINC000119159075 589245895 /nfs/dbraw/zinc/24/58/95/589245895.db2.gz FDJBADRGURTPDU-SNVBAGLBSA-N 1 2 231.292 0.537 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC=CO1 ZINC000862969749 589249980 /nfs/dbraw/zinc/24/99/80/589249980.db2.gz ISQAYGARRCQBFX-QWRGUYRKSA-N 1 2 240.303 0.126 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC=CO1 ZINC000862969749 589249982 /nfs/dbraw/zinc/24/99/82/589249982.db2.gz ISQAYGARRCQBFX-QWRGUYRKSA-N 1 2 240.303 0.126 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=COCCC1 ZINC000862973313 589250040 /nfs/dbraw/zinc/25/00/40/589250040.db2.gz LRBRNTRORFIRBY-NSHDSACASA-N 1 2 240.303 0.128 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=COCCC1 ZINC000862973313 589250042 /nfs/dbraw/zinc/25/00/42/589250042.db2.gz LRBRNTRORFIRBY-NSHDSACASA-N 1 2 240.303 0.128 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)nc1 ZINC000862972256 589250129 /nfs/dbraw/zinc/25/01/29/589250129.db2.gz ZBYQJPCVQKTCLA-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)nc1 ZINC000862972256 589250130 /nfs/dbraw/zinc/25/01/30/589250130.db2.gz ZBYQJPCVQKTCLA-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CCCCO1 ZINC000862969678 589250174 /nfs/dbraw/zinc/25/01/74/589250174.db2.gz HIHFGACOJJZESL-JTQLQIEISA-N 1 2 240.303 0.128 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CCCCO1 ZINC000862969678 589250176 /nfs/dbraw/zinc/25/01/76/589250176.db2.gz HIHFGACOJJZESL-JTQLQIEISA-N 1 2 240.303 0.128 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862970325 589250420 /nfs/dbraw/zinc/25/04/20/589250420.db2.gz ZCNUXNQBUWUASI-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862970325 589250421 /nfs/dbraw/zinc/25/04/21/589250421.db2.gz ZCNUXNQBUWUASI-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=S)NC(C)(C)C ZINC000863227021 589273184 /nfs/dbraw/zinc/27/31/84/589273184.db2.gz ZGVUFNATYBRQLL-SECBINFHSA-N 1 2 245.392 0.580 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=S)NC(C)(C)C ZINC000863227021 589273186 /nfs/dbraw/zinc/27/31/86/589273186.db2.gz ZGVUFNATYBRQLL-SECBINFHSA-N 1 2 245.392 0.580 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=S)NCC1CC1 ZINC000863226835 589273338 /nfs/dbraw/zinc/27/33/38/589273338.db2.gz UVPJDAWKNVAEIQ-JTQLQIEISA-N 1 2 243.376 0.191 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=S)NCC1CC1 ZINC000863226835 589273339 /nfs/dbraw/zinc/27/33/39/589273339.db2.gz UVPJDAWKNVAEIQ-JTQLQIEISA-N 1 2 243.376 0.191 20 0 BCADLO CC[C@@H](C)NC(=S)NC[C@@H]1COCC[N@@H+]1C ZINC000863227031 589273378 /nfs/dbraw/zinc/27/33/78/589273378.db2.gz ZRRJTSSMEWVXND-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO CC[C@@H](C)NC(=S)NC[C@@H]1COCC[N@H+]1C ZINC000863227031 589273380 /nfs/dbraw/zinc/27/33/80/589273380.db2.gz ZRRJTSSMEWVXND-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO C/C=C/CNC(=S)NCC[NH+]1CCOCC1 ZINC000863232826 589273578 /nfs/dbraw/zinc/27/35/78/589273578.db2.gz XFRRPOWERMRRQL-NSCUHMNNSA-N 1 2 243.376 0.359 20 0 BCADLO COC[C@@]1(C)C[N@H+](CN2CCCC2=O)CCO1 ZINC000863343601 589281065 /nfs/dbraw/zinc/28/10/65/589281065.db2.gz ZULJMACMSLFBML-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CN2CCCC2=O)CCO1 ZINC000863343601 589281066 /nfs/dbraw/zinc/28/10/66/589281066.db2.gz ZULJMACMSLFBML-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000863456825 589289481 /nfs/dbraw/zinc/28/94/81/589289481.db2.gz KVNNQHUENWCMQH-NXEZZACHSA-N 1 2 227.308 0.473 20 0 BCADLO COC1CC(O[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000863473019 589291325 /nfs/dbraw/zinc/29/13/25/589291325.db2.gz XGJSDAKRKQYUOW-HACHORDNSA-N 1 2 214.265 0.841 20 0 BCADLO CC[C@H](O[NH+]=C(N)C1(OC)CCCC1)C(N)=O ZINC000863478606 589292322 /nfs/dbraw/zinc/29/23/22/589292322.db2.gz SMQRVQPRKKMXAB-QMMMGPOBSA-N 1 2 243.307 0.708 20 0 BCADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)CC(F)F ZINC000863809223 589321195 /nfs/dbraw/zinc/32/11/95/589321195.db2.gz WEPHCQJBANLGRF-UHFFFAOYSA-N 1 2 246.261 0.265 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCO)CCCO ZINC000119641677 589321575 /nfs/dbraw/zinc/32/15/75/589321575.db2.gz FOLVYTUCXBWAJG-JTQLQIEISA-N 1 2 233.308 0.005 20 0 BCADLO O=C1O[C@@H](C[NH2+]Cc2c[nH]cn2)CN1C1CC1 ZINC000864049811 589334384 /nfs/dbraw/zinc/33/43/84/589334384.db2.gz LUKZHCOJPSJFCQ-JTQLQIEISA-N 1 2 236.275 0.483 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21NC(=O)Cc1c[nH]c[nH+]1 ZINC000864061478 589337101 /nfs/dbraw/zinc/33/71/01/589337101.db2.gz YEZTTWJVXQGGPX-PELKAZGASA-N 1 2 235.287 0.636 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21NC(=O)Cc1c[nH+]c[nH]1 ZINC000864061478 589337103 /nfs/dbraw/zinc/33/71/03/589337103.db2.gz YEZTTWJVXQGGPX-PELKAZGASA-N 1 2 235.287 0.636 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@](O)(C2CC2)C1 ZINC000864066786 589338131 /nfs/dbraw/zinc/33/81/31/589338131.db2.gz CWWCZWBMKSLEGN-ZDUSSCGKSA-N 1 2 249.314 0.716 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000864071154 589338917 /nfs/dbraw/zinc/33/89/17/589338917.db2.gz ZGXMPUCSICPBOB-SECBINFHSA-N 1 2 223.276 0.636 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)CO1 ZINC000864071154 589338919 /nfs/dbraw/zinc/33/89/19/589338919.db2.gz ZGXMPUCSICPBOB-SECBINFHSA-N 1 2 223.276 0.636 20 0 BCADLO CC1(C)OCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000864072940 589339553 /nfs/dbraw/zinc/33/95/53/589339553.db2.gz SDXVYXYKFPRGHP-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CC1(C)OCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000864072940 589339555 /nfs/dbraw/zinc/33/95/55/589339555.db2.gz SDXVYXYKFPRGHP-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CSC(C)(C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079346 589340867 /nfs/dbraw/zinc/34/08/67/589340867.db2.gz WNLJJICKTMMXNO-SECBINFHSA-N 1 2 246.376 0.263 20 0 BCADLO CSC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079346 589340869 /nfs/dbraw/zinc/34/08/69/589340869.db2.gz WNLJJICKTMMXNO-SECBINFHSA-N 1 2 246.376 0.263 20 0 BCADLO CC/C=C(/F)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000864083124 589342183 /nfs/dbraw/zinc/34/21/83/589342183.db2.gz ZEJVFXQZKVJHHB-YNYSXPKMSA-N 1 2 230.283 0.697 20 0 BCADLO CC/C=C(/F)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000864083124 589342185 /nfs/dbraw/zinc/34/21/85/589342185.db2.gz ZEJVFXQZKVJHHB-YNYSXPKMSA-N 1 2 230.283 0.697 20 0 BCADLO CC(C)Cc1cc(NC[C@H](O)[C@@H](C)O)nc[nH+]1 ZINC000864093319 589344243 /nfs/dbraw/zinc/34/42/43/589344243.db2.gz NEHQOBCTOPHAPJ-KOLCDFICSA-N 1 2 239.319 0.829 20 0 BCADLO COCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864414648 589360692 /nfs/dbraw/zinc/36/06/92/589360692.db2.gz LFTVSDYITLTAIV-DUXPYHPUSA-N 1 2 242.319 0.028 20 0 BCADLO CN1CCN(C(N)=O)Cc2ccc[nH+]c21 ZINC000864428458 589362212 /nfs/dbraw/zinc/36/22/12/589362212.db2.gz DRCFJSIAAZDCHJ-UHFFFAOYSA-N 1 2 206.249 0.412 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864447950 589364280 /nfs/dbraw/zinc/36/42/80/589364280.db2.gz ZTIDITHDOBWPSX-WCBMZHEXSA-N 1 2 223.276 0.844 20 0 BCADLO CN(Cc1ccco1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864524467 589375131 /nfs/dbraw/zinc/37/51/31/589375131.db2.gz VIMCOKOMQJLZIQ-JTQLQIEISA-N 1 2 235.243 0.695 20 0 BCADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864688643 589390017 /nfs/dbraw/zinc/39/00/17/589390017.db2.gz FKFSNAXZGIBPMK-XVKPBYJWSA-N 1 2 223.276 0.700 20 0 BCADLO CCCCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864724910 589391116 /nfs/dbraw/zinc/39/11/16/589391116.db2.gz SQYDWCPKMWEWFB-SECBINFHSA-N 1 2 211.265 0.702 20 0 BCADLO CCN(C(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864756716 589392667 /nfs/dbraw/zinc/39/26/67/589392667.db2.gz ORJSVUVLYAAUJA-ARJAWSKDSA-N 1 2 238.331 0.886 20 0 BCADLO CCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864909516 589400748 /nfs/dbraw/zinc/40/07/48/589400748.db2.gz DKVKMDUXDYSSRW-ARJAWSKDSA-N 1 2 242.319 0.028 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865081684 589406177 /nfs/dbraw/zinc/40/61/77/589406177.db2.gz CWAWYYUSLUIQLF-VXNVDRBHSA-N 1 2 211.265 0.700 20 0 BCADLO C[C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865095449 589409081 /nfs/dbraw/zinc/40/90/81/589409081.db2.gz NHNMDPXARVDUPC-ZZKXABKFSA-N 1 2 238.331 0.743 20 0 BCADLO CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000865165293 589412354 /nfs/dbraw/zinc/41/23/54/589412354.db2.gz CMXQDPUKHZGZKD-JTQLQIEISA-N 1 2 223.276 0.844 20 0 BCADLO Cc1nc(N2CC[C@@H](O)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000865202675 589414113 /nfs/dbraw/zinc/41/41/13/589414113.db2.gz XCQGLOIUWQUPNX-MNOVXSKESA-N 1 2 237.303 0.334 20 0 BCADLO CNC(=S)N1CCN(C)c2[nH+]cccc2C1 ZINC000865276146 589418170 /nfs/dbraw/zinc/41/81/70/589418170.db2.gz MXJLWCSEJRDQOR-UHFFFAOYSA-N 1 2 236.344 0.838 20 0 BCADLO CN(CCO)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865398352 589432092 /nfs/dbraw/zinc/43/20/92/589432092.db2.gz UKXDTNWCDVYOQA-UHFFFAOYSA-N 1 2 226.667 0.991 20 0 BCADLO C[C@H](CO)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865430543 589435565 /nfs/dbraw/zinc/43/55/65/589435565.db2.gz XWXPPIOFCIOEHN-SSDOTTSWSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@H](CO)Nc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865430543 589435566 /nfs/dbraw/zinc/43/55/66/589435566.db2.gz XWXPPIOFCIOEHN-SSDOTTSWSA-N 1 2 237.307 0.904 20 0 BCADLO CS(=O)(=O)CC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865436153 589436246 /nfs/dbraw/zinc/43/62/46/589436246.db2.gz VSBIPEJUAIIGTA-UHFFFAOYSA-N 1 2 243.332 0.352 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC2(CC2)CC1 ZINC000865670609 589455504 /nfs/dbraw/zinc/45/55/04/589455504.db2.gz BCDLHRJSKNUAFT-SNVBAGLBSA-N 1 2 235.287 0.846 20 0 BCADLO COCC=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000865742026 589460174 /nfs/dbraw/zinc/46/01/74/589460174.db2.gz VCPROYUVMZXZTL-ARJAWSKDSA-N 1 2 206.245 0.953 20 0 BCADLO COC/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000865804919 589462360 /nfs/dbraw/zinc/46/23/60/589462360.db2.gz LJDAXUXMHLOXBI-SNAWJCMRSA-N 1 2 237.303 0.982 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865870810 589466060 /nfs/dbraw/zinc/46/60/60/589466060.db2.gz BEXJIQOQDWEODP-QXFUBDJGSA-N 1 2 226.276 0.289 20 0 BCADLO Cc1nocc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000866098524 589475921 /nfs/dbraw/zinc/47/59/21/589475921.db2.gz SZPLLAORDLTAMU-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1nocc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000866098524 589475922 /nfs/dbraw/zinc/47/59/22/589475922.db2.gz SZPLLAORDLTAMU-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NCC(F)F ZINC000866253532 589483329 /nfs/dbraw/zinc/48/33/29/589483329.db2.gz JXPQJGZJYVXFQQ-OWOJBTEDSA-N 1 2 234.246 0.256 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NCCCF ZINC000866743529 589517169 /nfs/dbraw/zinc/51/71/69/589517169.db2.gz RVFPQMKYZZTRTR-HNQUOIGGSA-N 1 2 230.283 0.351 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC2(C1)CCCC2 ZINC000867538631 589524874 /nfs/dbraw/zinc/52/48/74/589524874.db2.gz RKYNBRLVULMNOO-SNVBAGLBSA-N 1 2 235.287 0.846 20 0 BCADLO COC[C@@H](C)OC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000867561652 589525760 /nfs/dbraw/zinc/52/57/60/589525760.db2.gz DBGDLIAQPSCHMN-ZJUUUORDSA-N 1 2 246.307 0.078 20 0 BCADLO COC[C@@H](C)OC(=O)NC[C@H]1COCC[N@H+]1C ZINC000867561652 589525762 /nfs/dbraw/zinc/52/57/62/589525762.db2.gz DBGDLIAQPSCHMN-ZJUUUORDSA-N 1 2 246.307 0.078 20 0 BCADLO CO[C@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867675634 589530305 /nfs/dbraw/zinc/53/03/05/589530305.db2.gz AIQDVFPPXSGKOD-DLRQAJBASA-N 1 2 242.319 0.026 20 0 BCADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNS(C)(=O)=O ZINC000867794503 589534367 /nfs/dbraw/zinc/53/43/67/589534367.db2.gz IQDIGJDLMWVVTL-NSHDSACASA-N 1 2 240.328 0.722 20 0 BCADLO C[N@H+]1Cc2ccccc2[C@@H]1CNS(C)(=O)=O ZINC000867794503 589534369 /nfs/dbraw/zinc/53/43/69/589534369.db2.gz IQDIGJDLMWVVTL-NSHDSACASA-N 1 2 240.328 0.722 20 0 BCADLO CC1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867831934 589535697 /nfs/dbraw/zinc/53/56/97/589535697.db2.gz BYOCOOHFUVGXSP-IHWYPQMZSA-N 1 2 224.304 0.353 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000867938496 589540712 /nfs/dbraw/zinc/54/07/12/589540712.db2.gz JJRBQTKHZFEBHQ-BLDJZWNYSA-N 1 2 238.331 0.884 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCOC1 ZINC000868241327 589552698 /nfs/dbraw/zinc/55/26/98/589552698.db2.gz KBNNNEFHYVYVIK-IWQZZHSRSA-N 1 2 240.303 0.081 20 0 BCADLO CCn1ncc(C(=O)NCc2c[nH+]cn2C)c1C ZINC000868412783 589557170 /nfs/dbraw/zinc/55/71/70/589557170.db2.gz IBARTUQECZLIQW-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC2(CC2)C1 ZINC000868621845 589568816 /nfs/dbraw/zinc/56/88/16/589568816.db2.gz ORGZWRBZTLNVJS-UPHRSURJSA-N 1 2 236.315 0.497 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868867120 589580531 /nfs/dbraw/zinc/58/05/31/589580531.db2.gz HLQJOCVAHBLIOQ-UFFNRZRYSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1[C@H](C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000868897292 589581867 /nfs/dbraw/zinc/58/18/67/589581867.db2.gz OSNIDEAFRCDMGG-SDNRWEOFSA-N 1 2 237.303 0.946 20 0 BCADLO CCON(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000869084488 589585964 /nfs/dbraw/zinc/58/59/64/589585964.db2.gz AIEHCXHHYLDITJ-SECBINFHSA-N 1 2 227.264 0.632 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000869212706 589592787 /nfs/dbraw/zinc/59/27/87/589592787.db2.gz IRZBBYUKCYEXOS-INTQDDNPSA-N 1 2 235.287 0.844 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000869924068 589637839 /nfs/dbraw/zinc/63/78/39/589637839.db2.gz BEOYZPFZHKWGIO-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)/C=C/COC)C1 ZINC000870298466 589656961 /nfs/dbraw/zinc/65/69/61/589656961.db2.gz DSWPRYAIMSPZIK-SNAWJCMRSA-N 1 2 243.303 0.453 20 0 BCADLO CO[C@@H]1CC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870730125 589687766 /nfs/dbraw/zinc/68/77/66/589687766.db2.gz ZMLOZGUHBMPJSU-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CC[S@](=O)CCNc1cc(C)[nH+]cn1 ZINC000123726528 589786569 /nfs/dbraw/zinc/78/65/69/589786569.db2.gz VFDCUDANESXAGP-CQSZACIVSA-N 1 2 213.306 0.966 20 0 BCADLO CC[S@@](=O)CCNc1cc(C)[nH+]cn1 ZINC000123726330 589787177 /nfs/dbraw/zinc/78/71/77/589787177.db2.gz VFDCUDANESXAGP-AWEZNQCLSA-N 1 2 213.306 0.966 20 0 BCADLO Cn1nccc1CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000871749546 589805421 /nfs/dbraw/zinc/80/54/21/589805421.db2.gz YTNHTUZEYGKPPW-JTQLQIEISA-N 1 2 238.291 0.640 20 0 BCADLO NC(COC1CCC1)=[NH+]OCC1OCCO1 ZINC000871778275 589814343 /nfs/dbraw/zinc/81/43/43/589814343.db2.gz ALESYFDVKDQTQO-UHFFFAOYSA-N 1 2 230.264 0.427 20 0 BCADLO NC(COC1CCC1)=[NH+]OCCCO ZINC000871775336 589814349 /nfs/dbraw/zinc/81/43/49/589814349.db2.gz LWMDPZOHADFVGA-UHFFFAOYSA-N 1 2 202.254 0.436 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)O)n1 ZINC000872200211 589890498 /nfs/dbraw/zinc/89/04/98/589890498.db2.gz XCRYTMPVPIPGRX-IONNQARKSA-N 1 2 243.307 0.551 20 0 BCADLO CCOC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872263305 589902442 /nfs/dbraw/zinc/90/24/42/589902442.db2.gz BAVGFQMHSKKJBI-KOLCDFICSA-N 1 2 213.277 0.851 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)CC2OCCO2)C1=O ZINC000872267376 589902762 /nfs/dbraw/zinc/90/27/62/589902762.db2.gz PVJUCRXOXXIVDK-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)CC2OCCO2)C1=O ZINC000872267376 589902764 /nfs/dbraw/zinc/90/27/64/589902764.db2.gz PVJUCRXOXXIVDK-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CCc1cc(NCC[S@](C)=O)nc[nH+]1 ZINC000124023625 589905672 /nfs/dbraw/zinc/90/56/72/589905672.db2.gz JWTBLEWCTHIIPF-CQSZACIVSA-N 1 2 213.306 0.829 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC[S@](C)=O ZINC000124035830 589907562 /nfs/dbraw/zinc/90/75/62/589907562.db2.gz TTWHFHDDKUNSIT-MRXNPFEDSA-N 1 2 239.304 0.154 20 0 BCADLO CN1CC[N@H+](CC2OCCO2)Cc2cccnc21 ZINC000872318292 589911685 /nfs/dbraw/zinc/91/16/85/589911685.db2.gz PXBGKAHPPCSEBU-UHFFFAOYSA-N 1 2 249.314 0.706 20 0 BCADLO CN1CC[N@@H+](CC2OCCO2)Cc2cccnc21 ZINC000872318292 589911686 /nfs/dbraw/zinc/91/16/86/589911686.db2.gz PXBGKAHPPCSEBU-UHFFFAOYSA-N 1 2 249.314 0.706 20 0 BCADLO COCC[N@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872568622 589952601 /nfs/dbraw/zinc/95/26/01/589952601.db2.gz IIFALVCMGKFEAC-LLVKDONJSA-N 1 2 241.335 0.812 20 0 BCADLO COCC[N@@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872568622 589952603 /nfs/dbraw/zinc/95/26/03/589952603.db2.gz IIFALVCMGKFEAC-LLVKDONJSA-N 1 2 241.335 0.812 20 0 BCADLO O=C1CC2(COC2)CN1C[N@H+]1CC[C@H](F)C1 ZINC000872615732 589956430 /nfs/dbraw/zinc/95/64/30/589956430.db2.gz MVUMJYSVDUWLMQ-VIFPVBQESA-N 1 2 228.267 0.237 20 0 BCADLO O=C1CC2(COC2)CN1C[N@@H+]1CC[C@H](F)C1 ZINC000872615732 589956432 /nfs/dbraw/zinc/95/64/32/589956432.db2.gz MVUMJYSVDUWLMQ-VIFPVBQESA-N 1 2 228.267 0.237 20 0 BCADLO Cn1nnnc1C1CCN(c2cccc[nH+]2)CC1 ZINC000872638192 589957937 /nfs/dbraw/zinc/95/79/37/589957937.db2.gz LEUDBLZNOVVNLU-UHFFFAOYSA-N 1 2 244.302 0.989 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)CN2CCC2=O)C1=O ZINC000872675117 589960419 /nfs/dbraw/zinc/96/04/19/589960419.db2.gz AOHHSOUXXIOZMB-JTQLQIEISA-N 1 2 239.319 0.119 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)CN2CCC2=O)C1=O ZINC000872675117 589960421 /nfs/dbraw/zinc/96/04/21/589960421.db2.gz AOHHSOUXXIOZMB-JTQLQIEISA-N 1 2 239.319 0.119 20 0 BCADLO FC(F)[C@H]1CC[N@H+](Cn2cnnc2)CCO1 ZINC000872680970 589960440 /nfs/dbraw/zinc/96/04/40/589960440.db2.gz NLSLEHDXMHQKFQ-MRVPVSSYSA-N 1 2 232.234 0.592 20 0 BCADLO FC(F)[C@H]1CC[N@@H+](Cn2cnnc2)CCO1 ZINC000872680970 589960442 /nfs/dbraw/zinc/96/04/42/589960442.db2.gz NLSLEHDXMHQKFQ-MRVPVSSYSA-N 1 2 232.234 0.592 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNc1nnc(C)o1 ZINC000872773464 589967866 /nfs/dbraw/zinc/96/78/66/589967866.db2.gz MAPMNHMWUZGMKN-SNVBAGLBSA-N 1 2 240.307 0.901 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNc1nnc(C)o1 ZINC000872773464 589967869 /nfs/dbraw/zinc/96/78/69/589967869.db2.gz MAPMNHMWUZGMKN-SNVBAGLBSA-N 1 2 240.307 0.901 20 0 BCADLO C[C@@H](O)c1ccc(N(C)[C@@H](C)CO)[nH+]c1 ZINC000124370251 589982338 /nfs/dbraw/zinc/98/23/38/589982338.db2.gz CGQLPCQWAPPYSI-DTWKUNHWSA-N 1 2 210.277 0.952 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccon1 ZINC000873143935 589986112 /nfs/dbraw/zinc/98/61/12/589986112.db2.gz AFBJSTBZGOVCMC-SSDOTTSWSA-N 1 2 213.237 0.173 20 0 BCADLO Cc1c(C[N@H+](C)Cc2cnc(N)cn2)cnn1C ZINC000873211270 589996675 /nfs/dbraw/zinc/99/66/75/589996675.db2.gz XODRJMRPUZWLOY-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO Cc1c(C[N@@H+](C)Cc2cnc(N)cn2)cnn1C ZINC000873211270 589996676 /nfs/dbraw/zinc/99/66/76/589996676.db2.gz XODRJMRPUZWLOY-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000874110466 590092699 /nfs/dbraw/zinc/09/26/99/590092699.db2.gz KBYIMDLQYVLWIM-RNFRBKRXSA-N 1 2 233.231 0.843 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000874110466 590092700 /nfs/dbraw/zinc/09/27/00/590092700.db2.gz KBYIMDLQYVLWIM-RNFRBKRXSA-N 1 2 233.231 0.843 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000874258663 590100726 /nfs/dbraw/zinc/10/07/26/590100726.db2.gz RKIGQGFMHCMVMU-LBPRGKRZSA-N 1 2 249.270 0.697 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC1 ZINC000874698346 590124392 /nfs/dbraw/zinc/12/43/92/590124392.db2.gz BLULQKAKZQIHIC-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CC1 ZINC000874698346 590124393 /nfs/dbraw/zinc/12/43/93/590124393.db2.gz BLULQKAKZQIHIC-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(F)F ZINC000874698830 590124471 /nfs/dbraw/zinc/12/44/71/590124471.db2.gz MDQYYOLUBAVZAZ-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(F)F ZINC000874698830 590124472 /nfs/dbraw/zinc/12/44/72/590124472.db2.gz MDQYYOLUBAVZAZ-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000874711487 590124857 /nfs/dbraw/zinc/12/48/57/590124857.db2.gz PRYPLBIAWIQBDH-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(F)CC1 ZINC000874711487 590124859 /nfs/dbraw/zinc/12/48/59/590124859.db2.gz PRYPLBIAWIQBDH-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO CCCONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000875689702 590168189 /nfs/dbraw/zinc/16/81/89/590168189.db2.gz RLFYWECTYNVGQW-UHFFFAOYSA-N 1 2 212.253 0.893 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC1(C)C ZINC000875865924 590174230 /nfs/dbraw/zinc/17/42/30/590174230.db2.gz UEIASCLNYMXEQW-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC1(C)C ZINC000875865924 590174231 /nfs/dbraw/zinc/17/42/31/590174231.db2.gz UEIASCLNYMXEQW-JTQLQIEISA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)NCc1c[nH+]cn1C ZINC000876305470 590194216 /nfs/dbraw/zinc/19/42/16/590194216.db2.gz KEWWYZWVYBVKNL-DTWKUNHWSA-N 1 2 222.292 0.970 20 0 BCADLO C[C@H]1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)CO1 ZINC000888719201 590195624 /nfs/dbraw/zinc/19/56/24/590195624.db2.gz JIJPOQXXPOKRFC-ZBOXLXRLSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1nocc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000888719708 590195976 /nfs/dbraw/zinc/19/59/76/590195976.db2.gz YXIDLQGQGWJWFU-MRVPVSSYSA-N 1 2 247.258 0.926 20 0 BCADLO C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC(=O)N1 ZINC000876523346 590207770 /nfs/dbraw/zinc/20/77/70/590207770.db2.gz SPETWQNDAMBNOA-NSHDSACASA-N 1 2 234.259 0.271 20 0 BCADLO COc1cnc(F)c(C[N@H+](C)CCO)c1 ZINC000876525037 590208657 /nfs/dbraw/zinc/20/86/57/590208657.db2.gz BDZCSLVGWYJKCW-UHFFFAOYSA-N 1 2 214.240 0.653 20 0 BCADLO COc1cnc(F)c(C[N@@H+](C)CCO)c1 ZINC000876525037 590208659 /nfs/dbraw/zinc/20/86/59/590208659.db2.gz BDZCSLVGWYJKCW-UHFFFAOYSA-N 1 2 214.240 0.653 20 0 BCADLO CCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000876540909 590212261 /nfs/dbraw/zinc/21/22/61/590212261.db2.gz QMCFQCBUNCRCNN-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO Nc1c(F)cccc1C[N@@H+]1CCCNC(=O)C1 ZINC000876639431 590225084 /nfs/dbraw/zinc/22/50/84/590225084.db2.gz DXRXJZWBUWMOJB-UHFFFAOYSA-N 1 2 237.278 0.730 20 0 BCADLO Nc1c(F)cccc1C[N@H+]1CCCNC(=O)C1 ZINC000876639431 590225085 /nfs/dbraw/zinc/22/50/85/590225085.db2.gz DXRXJZWBUWMOJB-UHFFFAOYSA-N 1 2 237.278 0.730 20 0 BCADLO CCCn1cc(C[N@H+](C)CCC(=O)NC)nn1 ZINC000876685244 590230171 /nfs/dbraw/zinc/23/01/71/590230171.db2.gz NIJAEDHRSFPATC-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CCCn1cc(C[N@@H+](C)CCC(=O)NC)nn1 ZINC000876685244 590230173 /nfs/dbraw/zinc/23/01/73/590230173.db2.gz NIJAEDHRSFPATC-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2ncncc12 ZINC000876686138 590230270 /nfs/dbraw/zinc/23/02/70/590230270.db2.gz QNHMNCUCVIGRPP-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2ncncc12 ZINC000876686138 590230271 /nfs/dbraw/zinc/23/02/71/590230271.db2.gz QNHMNCUCVIGRPP-UHFFFAOYSA-N 1 2 248.286 0.904 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000876797101 590242642 /nfs/dbraw/zinc/24/26/42/590242642.db2.gz MLHYCHHNEYAMDF-DTORHVGOSA-N 1 2 243.694 0.058 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000876797101 590242643 /nfs/dbraw/zinc/24/26/43/590242643.db2.gz MLHYCHHNEYAMDF-DTORHVGOSA-N 1 2 243.694 0.058 20 0 BCADLO O=C(Nc1ccn(CCF)n1)[C@H]1CSC[NH2+]1 ZINC000877263845 590304687 /nfs/dbraw/zinc/30/46/87/590304687.db2.gz DTXAYKULEPEVNL-SSDOTTSWSA-N 1 2 244.295 0.454 20 0 BCADLO CCn1ncc(NC(=O)[C@@H]2CSC[NH2+]2)c1C ZINC000877451735 590329178 /nfs/dbraw/zinc/32/91/78/590329178.db2.gz PAWAPEBFQDNFED-VIFPVBQESA-N 1 2 240.332 0.812 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000877462804 590332943 /nfs/dbraw/zinc/33/29/43/590332943.db2.gz VHTOZVGCNKAFQU-PWSUYJOCSA-N 1 2 236.319 0.502 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000877462804 590332946 /nfs/dbraw/zinc/33/29/46/590332946.db2.gz VHTOZVGCNKAFQU-PWSUYJOCSA-N 1 2 236.319 0.502 20 0 BCADLO Cn1nnc(C[NH2+]C[C@H]2CC2(Cl)Cl)n1 ZINC000877483220 590338139 /nfs/dbraw/zinc/33/81/39/590338139.db2.gz QCVKYGVPXYSTOT-RXMQYKEDSA-N 1 2 236.106 0.494 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@H]2COC)nn1 ZINC000877550903 590354466 /nfs/dbraw/zinc/35/44/66/590354466.db2.gz TVOGQBVJVSHJJX-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@H]2COC)nn1 ZINC000877550903 590354469 /nfs/dbraw/zinc/35/44/69/590354469.db2.gz TVOGQBVJVSHJJX-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO OCCC1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000877580491 590364392 /nfs/dbraw/zinc/36/43/92/590364392.db2.gz MFZJTKSNPSNJEL-UHFFFAOYSA-N 1 2 227.695 0.944 20 0 BCADLO Cn1c2ccc(C[NH+]3CC(C)(O)C3)cc2oc1=O ZINC000877580372 590364742 /nfs/dbraw/zinc/36/47/42/590364742.db2.gz AZIQOGQTNHANSG-UHFFFAOYSA-N 1 2 248.282 0.698 20 0 BCADLO COCC1(O)C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000877582470 590366964 /nfs/dbraw/zinc/36/69/64/590366964.db2.gz XNTDKAXIDHHXFL-ZETCQYMHSA-N 1 2 240.130 0.873 20 0 BCADLO COC(=O)C1CC([NH2+]Cc2ccn[nH]2)C1 ZINC000877721402 590400939 /nfs/dbraw/zinc/40/09/39/590400939.db2.gz NLIQXKFJSWENCS-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC000877748921 590413643 /nfs/dbraw/zinc/41/36/43/590413643.db2.gz DYQWFPZPTUHVIP-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC000877748921 590413646 /nfs/dbraw/zinc/41/36/46/590413646.db2.gz DYQWFPZPTUHVIP-MNOVXSKESA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC000877749613 590414290 /nfs/dbraw/zinc/41/42/90/590414290.db2.gz ZHSGCFABLGPSEK-BDAKNGLRSA-N 1 2 231.679 0.861 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC000877749613 590414291 /nfs/dbraw/zinc/41/42/91/590414291.db2.gz ZHSGCFABLGPSEK-BDAKNGLRSA-N 1 2 231.679 0.861 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccncc2Cl)C[C@@H]1O ZINC000877750347 590414453 /nfs/dbraw/zinc/41/44/53/590414453.db2.gz OFNOTTRNRFJCRG-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@@H]1O ZINC000877750347 590414454 /nfs/dbraw/zinc/41/44/54/590414454.db2.gz OFNOTTRNRFJCRG-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO Cn1nnnc1C1CC[NH+](Cc2ccon2)CC1 ZINC000877781164 590424245 /nfs/dbraw/zinc/42/42/45/590424245.db2.gz SXBLRKVKOFYRGV-UHFFFAOYSA-N 1 2 248.290 0.578 20 0 BCADLO CC1(C)CCC[C@@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000877906353 590444333 /nfs/dbraw/zinc/44/43/33/590444333.db2.gz PGADWZNOQNITOQ-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC1(C)CCC[C@@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000877906353 590444334 /nfs/dbraw/zinc/44/43/34/590444334.db2.gz PGADWZNOQNITOQ-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)CC(C)(C)O ZINC000878000490 590469794 /nfs/dbraw/zinc/46/97/94/590469794.db2.gz YIJQABXJMDSKCA-JTQLQIEISA-N 1 2 247.335 0.393 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)CC(C)(C)O ZINC000878000490 590469797 /nfs/dbraw/zinc/46/97/97/590469797.db2.gz YIJQABXJMDSKCA-JTQLQIEISA-N 1 2 247.335 0.393 20 0 BCADLO CCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878014798 590471534 /nfs/dbraw/zinc/47/15/34/590471534.db2.gz XFQIOWHEBZVYRD-UHFFFAOYSA-N 1 2 221.264 0.259 20 0 BCADLO CCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878014798 590471537 /nfs/dbraw/zinc/47/15/37/590471537.db2.gz XFQIOWHEBZVYRD-UHFFFAOYSA-N 1 2 221.264 0.259 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878030689 590474866 /nfs/dbraw/zinc/47/48/66/590474866.db2.gz FWSKEBCZTVKVCW-MRVPVSSYSA-N 1 2 233.275 0.259 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878030689 590474867 /nfs/dbraw/zinc/47/48/67/590474867.db2.gz FWSKEBCZTVKVCW-MRVPVSSYSA-N 1 2 233.275 0.259 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC[C@H](O)C(C)C ZINC000878044281 590479456 /nfs/dbraw/zinc/47/94/56/590479456.db2.gz KXDNKNVWHZUMHQ-VIFPVBQESA-N 1 2 217.309 0.935 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@H]1CCCCNC1=O ZINC000878053354 590483932 /nfs/dbraw/zinc/48/39/32/590483932.db2.gz XTSVTGCPPSWCSE-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000878053354 590483935 /nfs/dbraw/zinc/48/39/35/590483935.db2.gz XTSVTGCPPSWCSE-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000878106777 590495588 /nfs/dbraw/zinc/49/55/88/590495588.db2.gz NOXDNHCAMOACOY-UHFFFAOYSA-N 1 2 234.303 0.230 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000878106777 590495592 /nfs/dbraw/zinc/49/55/92/590495592.db2.gz NOXDNHCAMOACOY-UHFFFAOYSA-N 1 2 234.303 0.230 20 0 BCADLO COC(=O)C[N@H+](C[C@H](O)CC(C)(C)O)C1CC1 ZINC000878175250 590516207 /nfs/dbraw/zinc/51/62/07/590516207.db2.gz ZHSCRXJODCJHSH-SNVBAGLBSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)C[N@@H+](C[C@H](O)CC(C)(C)O)C1CC1 ZINC000878175250 590516210 /nfs/dbraw/zinc/51/62/10/590516210.db2.gz ZHSCRXJODCJHSH-SNVBAGLBSA-N 1 2 245.319 0.146 20 0 BCADLO COCC1(O)CC[NH+](Cc2nocc2C)CC1 ZINC000878306371 590538733 /nfs/dbraw/zinc/53/87/33/590538733.db2.gz BRLZRGGLBPNXIC-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1conc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000878316518 590543112 /nfs/dbraw/zinc/54/31/12/590543112.db2.gz HEVSYSQLACRART-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1conc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000878316518 590543114 /nfs/dbraw/zinc/54/31/14/590543114.db2.gz HEVSYSQLACRART-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO COC[C@H]([NH2+]CC(=O)N=S(C)(C)=O)C1CC1 ZINC000878378641 590556604 /nfs/dbraw/zinc/55/66/04/590556604.db2.gz OZFPJEOFEWGFLF-VIFPVBQESA-N 1 2 248.348 0.255 20 0 BCADLO Cc1conc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429563 590566448 /nfs/dbraw/zinc/56/64/48/590566448.db2.gz JPZWUKVVRJZTFK-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO Cc1conc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429563 590566450 /nfs/dbraw/zinc/56/64/50/590566450.db2.gz JPZWUKVVRJZTFK-NSHDSACASA-N 1 2 237.303 0.499 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000878500963 590580303 /nfs/dbraw/zinc/58/03/03/590580303.db2.gz KBUUEWRJUZRWEH-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000878500963 590580307 /nfs/dbraw/zinc/58/03/07/590580307.db2.gz KBUUEWRJUZRWEH-GXSJLCMTSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1conc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000878554545 590591455 /nfs/dbraw/zinc/59/14/55/590591455.db2.gz DTZHVIAJIQBMOD-XCBNKYQSSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1conc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000878554544 590591571 /nfs/dbraw/zinc/59/15/71/590591571.db2.gz DTZHVIAJIQBMOD-OIBJUYFYSA-N 1 2 223.276 0.597 20 0 BCADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(C)=O ZINC000878619734 590597244 /nfs/dbraw/zinc/59/72/44/590597244.db2.gz OWPSMBNDMLGHGI-JTQLQIEISA-N 1 2 228.292 0.786 20 0 BCADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(C)=O ZINC000878619734 590597246 /nfs/dbraw/zinc/59/72/46/590597246.db2.gz OWPSMBNDMLGHGI-JTQLQIEISA-N 1 2 228.292 0.786 20 0 BCADLO O[C@@]1(C(F)F)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000878670701 590607360 /nfs/dbraw/zinc/60/73/60/590607360.db2.gz ZRDYDHUXWQRKEQ-VIFPVBQESA-N 1 2 217.219 0.612 20 0 BCADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000878670701 590607361 /nfs/dbraw/zinc/60/73/61/590607361.db2.gz ZRDYDHUXWQRKEQ-VIFPVBQESA-N 1 2 217.219 0.612 20 0 BCADLO C[C@@H]1C[N@H+](CCCOC(F)(F)F)CC(=O)N1 ZINC000878677316 590608034 /nfs/dbraw/zinc/60/80/34/590608034.db2.gz HBWKVSUHNUKYOA-SSDOTTSWSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@@H]1C[N@@H+](CCCOC(F)(F)F)CC(=O)N1 ZINC000878677316 590608036 /nfs/dbraw/zinc/60/80/36/590608036.db2.gz HBWKVSUHNUKYOA-SSDOTTSWSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@@H](O)CN(Cc1c[nH+]c[nH]1)CC(F)F ZINC000878684386 590609424 /nfs/dbraw/zinc/60/94/24/590609424.db2.gz HLIQBDYTWVOPRW-SSDOTTSWSA-N 1 2 219.235 0.858 20 0 BCADLO C[C@@H](O)CN(Cc1c[nH]c[nH+]1)CC(F)F ZINC000878684386 590609426 /nfs/dbraw/zinc/60/94/26/590609426.db2.gz HLIQBDYTWVOPRW-SSDOTTSWSA-N 1 2 219.235 0.858 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC1OCCO1 ZINC000878752393 590618115 /nfs/dbraw/zinc/61/81/15/590618115.db2.gz NTTDKEIKKJCFHF-KXUCPTDWSA-N 1 2 242.319 0.299 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC1OCCO1 ZINC000878752393 590618116 /nfs/dbraw/zinc/61/81/16/590618116.db2.gz NTTDKEIKKJCFHF-KXUCPTDWSA-N 1 2 242.319 0.299 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000878876850 590638240 /nfs/dbraw/zinc/63/82/40/590638240.db2.gz VXJOYKKFIAJZTA-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000878876850 590638244 /nfs/dbraw/zinc/63/82/44/590638244.db2.gz VXJOYKKFIAJZTA-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO CCN(C#N)CC[N@@H+](CCF)CCOC ZINC000878918874 590651054 /nfs/dbraw/zinc/65/10/54/590651054.db2.gz AQTMUGWFVVYHIC-UHFFFAOYSA-N 1 2 217.288 0.707 20 0 BCADLO CCN(C#N)CC[N@H+](CCF)CCOC ZINC000878918874 590651051 /nfs/dbraw/zinc/65/10/51/590651051.db2.gz AQTMUGWFVVYHIC-UHFFFAOYSA-N 1 2 217.288 0.707 20 0 BCADLO CO[C@H]1C[N@@H+](CC[C@H]2CCOC2=O)CCO1 ZINC000878965997 590656971 /nfs/dbraw/zinc/65/69/71/590656971.db2.gz BWPNGKFWMYLZIV-VHSXEESVSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@H]1C[N@H+](CC[C@H]2CCOC2=O)CCO1 ZINC000878965997 590656969 /nfs/dbraw/zinc/65/69/69/590656969.db2.gz BWPNGKFWMYLZIV-VHSXEESVSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970290 590664796 /nfs/dbraw/zinc/66/47/96/590664796.db2.gz MVTSWKJQAVKOGY-NXEZZACHSA-N 1 2 241.287 0.387 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CCO1 ZINC000878970290 590664801 /nfs/dbraw/zinc/66/48/01/590664801.db2.gz MVTSWKJQAVKOGY-NXEZZACHSA-N 1 2 241.287 0.387 20 0 BCADLO Cl/C=C/C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878986704 590669984 /nfs/dbraw/zinc/66/99/84/590669984.db2.gz WQAFTGWMLUZMQV-YOLVWIGZSA-N 1 2 242.710 0.731 20 0 BCADLO Cl/C=C/C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878986704 590669981 /nfs/dbraw/zinc/66/99/81/590669981.db2.gz WQAFTGWMLUZMQV-YOLVWIGZSA-N 1 2 242.710 0.731 20 0 BCADLO Cc1coc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000879247395 590721673 /nfs/dbraw/zinc/72/16/73/590721673.db2.gz BTBYVGRXIDBAQI-NSHDSACASA-N 1 2 249.314 0.318 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnon2)[C@@](C)(CO)C1 ZINC000879261573 590725029 /nfs/dbraw/zinc/72/50/29/590725029.db2.gz MTLLSPJPIMXFHE-NXEZZACHSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnon2)[C@@](C)(CO)C1 ZINC000879261573 590725030 /nfs/dbraw/zinc/72/50/30/590725030.db2.gz MTLLSPJPIMXFHE-NXEZZACHSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319608 590741295 /nfs/dbraw/zinc/74/12/95/590741295.db2.gz AYLVFRZIXIYGAU-HTQZYQBOSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319608 590741298 /nfs/dbraw/zinc/74/12/98/590741298.db2.gz AYLVFRZIXIYGAU-HTQZYQBOSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nncn2C)C1 ZINC000879321272 590742736 /nfs/dbraw/zinc/74/27/36/590742736.db2.gz LYAQTSCWVSCEKX-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nncn2C)C1 ZINC000879321272 590742740 /nfs/dbraw/zinc/74/27/40/590742740.db2.gz LYAQTSCWVSCEKX-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nncn2C)C1 ZINC000879321270 590743153 /nfs/dbraw/zinc/74/31/53/590743153.db2.gz LYAQTSCWVSCEKX-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nncn2C)C1 ZINC000879321270 590743157 /nfs/dbraw/zinc/74/31/57/590743157.db2.gz LYAQTSCWVSCEKX-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](CCc2cnn[nH]2)C1 ZINC000879327558 590747381 /nfs/dbraw/zinc/74/73/81/590747381.db2.gz WMELWGVFUNZLAM-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](CCc2cnn[nH]2)C1 ZINC000879327558 590747383 /nfs/dbraw/zinc/74/73/83/590747383.db2.gz WMELWGVFUNZLAM-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO COC(=O)C12CCC(CC1)[N@@H+]2CC[S@](C)=O ZINC000879327689 590748295 /nfs/dbraw/zinc/74/82/95/590748295.db2.gz FGYNORVRHMGPOR-DXELSEMOSA-N 1 2 245.344 0.535 20 0 BCADLO COC(=O)C12CCC(CC1)[N@H+]2CC[S@](C)=O ZINC000879327689 590748296 /nfs/dbraw/zinc/74/82/96/590748296.db2.gz FGYNORVRHMGPOR-DXELSEMOSA-N 1 2 245.344 0.535 20 0 BCADLO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1ncc[nH]1)CC1CC1 ZINC000879486841 590778825 /nfs/dbraw/zinc/77/88/25/590778825.db2.gz ANZVHXCAGFYXJP-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ncc[nH]1)CC1CC1 ZINC000879486841 590778828 /nfs/dbraw/zinc/77/88/28/590778828.db2.gz ANZVHXCAGFYXJP-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CN(CC[NH+]1CCOCC1)OCC(F)(F)F ZINC000879514332 590785719 /nfs/dbraw/zinc/78/57/19/590785719.db2.gz ZBSZJPSWWTZKBI-UHFFFAOYSA-N 1 2 242.241 0.744 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622976 590835653 /nfs/dbraw/zinc/83/56/53/590835653.db2.gz SYIXEUOXXSQSIS-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622976 590835656 /nfs/dbraw/zinc/83/56/56/590835656.db2.gz SYIXEUOXXSQSIS-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO CC1(C)C[C@H](O)C[N@H+](CCc2cnn[nH]2)C1 ZINC000879624663 590837658 /nfs/dbraw/zinc/83/76/58/590837658.db2.gz YXMXOLRAHWTICH-JTQLQIEISA-N 1 2 224.308 0.440 20 0 BCADLO CC1(C)C[C@H](O)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000879624663 590837661 /nfs/dbraw/zinc/83/76/61/590837661.db2.gz YXMXOLRAHWTICH-JTQLQIEISA-N 1 2 224.308 0.440 20 0 BCADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCO)C1 ZINC000879766118 590866347 /nfs/dbraw/zinc/86/63/47/590866347.db2.gz UUWGCMBSPABFMP-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCO)C1 ZINC000879766118 590866351 /nfs/dbraw/zinc/86/63/51/590866351.db2.gz UUWGCMBSPABFMP-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnon1 ZINC000879788239 590869569 /nfs/dbraw/zinc/86/95/69/590869569.db2.gz VIJWYETZMMLVMO-VIFPVBQESA-N 1 2 219.248 0.891 20 0 BCADLO Cn1nnnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000879915979 590888875 /nfs/dbraw/zinc/88/88/75/590888875.db2.gz FFOUVRJZYMUVLJ-UHFFFAOYSA-N 1 2 247.306 0.313 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000879928397 590890321 /nfs/dbraw/zinc/89/03/21/590890321.db2.gz NGFYBDONKGSQNI-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000879928396 590890589 /nfs/dbraw/zinc/89/05/89/590890589.db2.gz NGFYBDONKGSQNI-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@@H+](CCF)C[C@H]2C1 ZINC000879935360 590892252 /nfs/dbraw/zinc/89/22/52/590892252.db2.gz IJCSUHUPPTUHOS-IUCAKERBSA-N 1 2 221.297 0.322 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@H+](CCF)C[C@H]2C1 ZINC000879935360 590892253 /nfs/dbraw/zinc/89/22/53/590892253.db2.gz IJCSUHUPPTUHOS-IUCAKERBSA-N 1 2 221.297 0.322 20 0 BCADLO CCOCC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879942699 590893846 /nfs/dbraw/zinc/89/38/46/590893846.db2.gz PKBVVKCOUJUGRG-OAHLLOKOSA-N 1 2 235.353 0.232 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](C)CO ZINC000879982920 590902654 /nfs/dbraw/zinc/90/26/54/590902654.db2.gz PIOGTNMBLCTUFS-ONGXEEELSA-N 1 2 229.320 0.936 20 0 BCADLO CC[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879991263 590905472 /nfs/dbraw/zinc/90/54/72/590905472.db2.gz JHONQSXSLAXMEC-MRVPVSSYSA-N 1 2 214.290 0.837 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000880158196 590946780 /nfs/dbraw/zinc/94/67/80/590946780.db2.gz HUVQTMOTOYMAIX-SECBINFHSA-N 1 2 221.260 0.623 20 0 BCADLO C[C@@H](C(=O)Nc1cccc2[nH]nnc21)[NH+](C)C ZINC000880196251 590956928 /nfs/dbraw/zinc/95/69/28/590956928.db2.gz KFNWGFAPIKFKMV-ZETCQYMHSA-N 1 2 233.275 0.847 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(N)=O)C1 ZINC000880305596 590998299 /nfs/dbraw/zinc/99/82/99/590998299.db2.gz XQVTZPXEFKWHDO-ZETCQYMHSA-N 1 2 226.198 0.125 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(N)=O)C1 ZINC000880305596 590998303 /nfs/dbraw/zinc/99/83/03/590998303.db2.gz XQVTZPXEFKWHDO-ZETCQYMHSA-N 1 2 226.198 0.125 20 0 BCADLO O=C(C[NH2+]C1(c2ncccn2)CCC1)NC1CC1 ZINC000880364235 591010866 /nfs/dbraw/zinc/01/08/66/591010866.db2.gz UNVFZJFNAGHUQQ-UHFFFAOYSA-N 1 2 246.314 0.724 20 0 BCADLO CN(C)C(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880364064 591011178 /nfs/dbraw/zinc/01/11/78/591011178.db2.gz PVPZABREDMDXNS-UHFFFAOYSA-N 1 2 234.303 0.534 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417592 591026273 /nfs/dbraw/zinc/02/62/73/591026273.db2.gz PZSJRWTZSQDSTR-QXEWZRGKSA-N 1 2 213.277 0.395 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417592 591026266 /nfs/dbraw/zinc/02/62/66/591026266.db2.gz PZSJRWTZSQDSTR-QXEWZRGKSA-N 1 2 213.277 0.395 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1nc(C)no1 ZINC000880424022 591029912 /nfs/dbraw/zinc/02/99/12/591029912.db2.gz FILUEKFLKQOBKU-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000880424022 591029916 /nfs/dbraw/zinc/02/99/16/591029916.db2.gz FILUEKFLKQOBKU-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ncnn1C ZINC000880427096 591032087 /nfs/dbraw/zinc/03/20/87/591032087.db2.gz BDTQJJIVTWUKRZ-UWVGGRQHSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1ncnn1C ZINC000880427096 591032090 /nfs/dbraw/zinc/03/20/90/591032090.db2.gz BDTQJJIVTWUKRZ-UWVGGRQHSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1nnc(C)[nH]1 ZINC000880437563 591041178 /nfs/dbraw/zinc/04/11/78/591041178.db2.gz MZMBKXHNXVOMSH-ZJUUUORDSA-N 1 2 240.307 0.349 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000880437563 591041183 /nfs/dbraw/zinc/04/11/83/591041183.db2.gz MZMBKXHNXVOMSH-ZJUUUORDSA-N 1 2 240.307 0.349 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880485592 591059435 /nfs/dbraw/zinc/05/94/35/591059435.db2.gz JIOZSNZROWKCGE-SNVBAGLBSA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1occc1C[N@H+]1CC=C[C@@H]1CO ZINC000880485592 591059440 /nfs/dbraw/zinc/05/94/40/591059440.db2.gz JIOZSNZROWKCGE-SNVBAGLBSA-N 1 2 237.255 0.799 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cncc(F)c1 ZINC000880488628 591065509 /nfs/dbraw/zinc/06/55/09/591065509.db2.gz IMMDCPKDSVPZJK-NSHDSACASA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cncc(F)c1 ZINC000880488628 591065511 /nfs/dbraw/zinc/06/55/11/591065511.db2.gz IMMDCPKDSVPZJK-NSHDSACASA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccncc1F ZINC000880493099 591070154 /nfs/dbraw/zinc/07/01/54/591070154.db2.gz YZHKLOFYGVILRR-JTQLQIEISA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1ccncc1F ZINC000880493099 591070158 /nfs/dbraw/zinc/07/01/58/591070158.db2.gz YZHKLOFYGVILRR-JTQLQIEISA-N 1 2 208.236 0.953 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC=C[C@H]1CO ZINC000880492670 591070576 /nfs/dbraw/zinc/07/05/76/591070576.db2.gz UUEYXKLQHAHJKE-JTQLQIEISA-N 1 2 236.319 0.766 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC=C[C@H]1CO ZINC000880492670 591070579 /nfs/dbraw/zinc/07/05/79/591070579.db2.gz UUEYXKLQHAHJKE-JTQLQIEISA-N 1 2 236.319 0.766 20 0 BCADLO O=C(C[N@H+]1CC=C[C@@H]1CO)Nc1ccccn1 ZINC000880494009 591071942 /nfs/dbraw/zinc/07/19/42/591071942.db2.gz IFIKCLPOLBFIBJ-SNVBAGLBSA-N 1 2 233.271 0.253 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)Nc1ccccn1 ZINC000880494009 591071945 /nfs/dbraw/zinc/07/19/45/591071945.db2.gz IFIKCLPOLBFIBJ-SNVBAGLBSA-N 1 2 233.271 0.253 20 0 BCADLO OC[C@H]1C=CCN1Cc1[nH+]ccn1CC(F)F ZINC000880494957 591072744 /nfs/dbraw/zinc/07/27/44/591072744.db2.gz WYEYHWURZBLCSA-SECBINFHSA-N 1 2 243.257 0.881 20 0 BCADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ncc(C)o2)C1 ZINC000880562430 591094201 /nfs/dbraw/zinc/09/42/01/591094201.db2.gz LMAALTSPBAWRTC-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000880562430 591094205 /nfs/dbraw/zinc/09/42/05/591094205.db2.gz LMAALTSPBAWRTC-NSHDSACASA-N 1 2 240.259 0.093 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccn(C)n1 ZINC000880590881 591103830 /nfs/dbraw/zinc/10/38/30/591103830.db2.gz YDXWMWZLTLPPQM-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccn(C)n1 ZINC000880590881 591103832 /nfs/dbraw/zinc/10/38/32/591103832.db2.gz YDXWMWZLTLPPQM-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO COC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880593354 591104822 /nfs/dbraw/zinc/10/48/22/591104822.db2.gz VLJHRTJZFGYVCB-UHFFFAOYSA-N 1 2 221.260 0.398 20 0 BCADLO COC(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880593354 591104826 /nfs/dbraw/zinc/10/48/26/591104826.db2.gz VLJHRTJZFGYVCB-UHFFFAOYSA-N 1 2 221.260 0.398 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCc2ncncc2C1 ZINC000880594667 591105765 /nfs/dbraw/zinc/10/57/65/591105765.db2.gz HYLZHMAXRLECOK-XCVCLJGOSA-N 1 2 247.298 0.954 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCc2ncncc2C1 ZINC000880594667 591105766 /nfs/dbraw/zinc/10/57/66/591105766.db2.gz HYLZHMAXRLECOK-XCVCLJGOSA-N 1 2 247.298 0.954 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2ncncc2C1 ZINC000880599143 591108170 /nfs/dbraw/zinc/10/81/70/591108170.db2.gz GTYCSPDALRDMDB-QMMMGPOBSA-N 1 2 245.290 0.119 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2ncncc2C1 ZINC000880599143 591108171 /nfs/dbraw/zinc/10/81/71/591108171.db2.gz GTYCSPDALRDMDB-QMMMGPOBSA-N 1 2 245.290 0.119 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCc3ncncc3C2)C1=O ZINC000880598692 591108624 /nfs/dbraw/zinc/10/86/24/591108624.db2.gz VPQLQPOXLAUQQU-LBPRGKRZSA-N 1 2 246.314 0.456 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCc3ncncc3C2)C1=O ZINC000880598692 591108628 /nfs/dbraw/zinc/10/86/28/591108628.db2.gz VPQLQPOXLAUQQU-LBPRGKRZSA-N 1 2 246.314 0.456 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000880727524 591128991 /nfs/dbraw/zinc/12/89/91/591128991.db2.gz PAYOGLSMIZCLGO-MRVPVSSYSA-N 1 2 237.328 0.677 20 0 BCADLO CON(C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880817012 591143095 /nfs/dbraw/zinc/14/30/95/591143095.db2.gz DIHHCKXYZRLDHX-UHFFFAOYSA-N 1 2 239.279 0.354 20 0 BCADLO CON(C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880817012 591143099 /nfs/dbraw/zinc/14/30/99/591143099.db2.gz DIHHCKXYZRLDHX-UHFFFAOYSA-N 1 2 239.279 0.354 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Nc1cn(C)nn1 ZINC000881211530 591172561 /nfs/dbraw/zinc/17/25/61/591172561.db2.gz BEDLNQHJLCYADS-UHFFFAOYSA-N 1 2 249.278 0.353 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000881289837 591180963 /nfs/dbraw/zinc/18/09/63/591180963.db2.gz RHUSWECFKLPJRF-SNVBAGLBSA-N 1 2 221.264 0.667 20 0 BCADLO Cl/C=C\Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000881427169 591204112 /nfs/dbraw/zinc/20/41/12/591204112.db2.gz FACQDUZWROQERH-IYABHPQVSA-N 1 2 228.683 0.692 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1C=CCC1 ZINC000881496186 591218859 /nfs/dbraw/zinc/21/88/59/591218859.db2.gz TXFUJNDGNLANDB-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1C=CCC1 ZINC000881496186 591218860 /nfs/dbraw/zinc/21/88/60/591218860.db2.gz TXFUJNDGNLANDB-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO CO[C@H]1C[C@H](CNC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000881574095 591245350 /nfs/dbraw/zinc/24/53/50/591245350.db2.gz HNNXBQHKTLCPTD-KYZUINATSA-N 1 2 223.276 0.873 20 0 BCADLO Cc1[nH+]cnc(NCCOCCO)c1C ZINC000881747027 591268982 /nfs/dbraw/zinc/26/89/82/591268982.db2.gz QNJATJMLWZXPGC-UHFFFAOYSA-N 1 2 211.265 0.514 20 0 BCADLO Cc1[nH+]cnc(N2CCS(=O)CC2)c1C ZINC000881918089 591277934 /nfs/dbraw/zinc/27/79/34/591277934.db2.gz CGOSWFRKYSWQGK-UHFFFAOYSA-N 1 2 225.317 0.662 20 0 BCADLO COC[C@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881974432 591284799 /nfs/dbraw/zinc/28/47/99/591284799.db2.gz DNEUAIGCUHRWQF-LLVKDONJSA-N 1 2 225.292 0.903 20 0 BCADLO COC[C@@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881974436 591285146 /nfs/dbraw/zinc/28/51/46/591285146.db2.gz DNEUAIGCUHRWQF-NSHDSACASA-N 1 2 225.292 0.903 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](O)c2cnn(C)c2)c1C ZINC000882019319 591288437 /nfs/dbraw/zinc/28/84/37/591288437.db2.gz MALINZGKDMEQHR-NSHDSACASA-N 1 2 247.302 0.972 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)C1CCC1 ZINC000882051276 591291461 /nfs/dbraw/zinc/29/14/61/591291461.db2.gz PJKVGWQCNUIVEB-UHFFFAOYSA-N 1 2 229.305 0.392 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1cc[nH+]cc1F ZINC000882239574 591319731 /nfs/dbraw/zinc/31/97/31/591319731.db2.gz ZQKKRBGMXOBFGH-MRVPVSSYSA-N 1 2 223.251 0.888 20 0 BCADLO Cc1[nH+]cnc(NC[C@@](C)(O)CO)c1C ZINC000882288183 591326600 /nfs/dbraw/zinc/32/66/00/591326600.db2.gz AJBMUEMRKKMZDB-SNVBAGLBSA-N 1 2 211.265 0.249 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H]2CCN(C(N)=O)C2)c1C ZINC000882350491 591336855 /nfs/dbraw/zinc/33/68/55/591336855.db2.gz FAOIDFOGMAEWLX-JTQLQIEISA-N 1 2 249.318 0.906 20 0 BCADLO NC(=O)c1cc(N[C@@H]2CCn3cc[nH+]c32)ncn1 ZINC000882407395 591343816 /nfs/dbraw/zinc/34/38/16/591343816.db2.gz PXGFDVUETPAXNU-SSDOTTSWSA-N 1 2 244.258 0.329 20 0 BCADLO NC(=O)c1nccnc1N[C@H]1CCn2cc[nH+]c21 ZINC000882407109 591344199 /nfs/dbraw/zinc/34/41/99/591344199.db2.gz DGLMLTKFNWXDER-ZETCQYMHSA-N 1 2 244.258 0.329 20 0 BCADLO C[C@H](NS(=O)(=O)C1CCC1)c1[nH+]ccn1C ZINC000882418938 591345511 /nfs/dbraw/zinc/34/55/11/591345511.db2.gz SQIMOOLPPMJZQZ-QMMMGPOBSA-N 1 2 243.332 0.953 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@@H](O)[C@@H](CO)C2)c1C ZINC000882466589 591353081 /nfs/dbraw/zinc/35/30/81/591353081.db2.gz BPAMEKROAZQBAZ-GHMZBOCLSA-N 1 2 237.303 0.273 20 0 BCADLO CNC(=O)[C@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882471753 591354432 /nfs/dbraw/zinc/35/44/32/591354432.db2.gz BYOOCANTAUKCCL-JTQLQIEISA-N 1 2 234.303 0.666 20 0 BCADLO Cc1[nH+]cnc(NCC(=O)N2CCCO2)c1C ZINC000882511484 591380980 /nfs/dbraw/zinc/38/09/80/591380980.db2.gz VNTZXNCQTBVUQC-UHFFFAOYSA-N 1 2 236.275 0.669 20 0 BCADLO COC(=O)C[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000882660054 591407726 /nfs/dbraw/zinc/40/77/26/591407726.db2.gz KGGKVBCVJADTAC-SECBINFHSA-N 1 2 239.275 0.429 20 0 BCADLO Cc1[nH+]cnc(N2CCCN(C=O)CC2)c1C ZINC000882689793 591412883 /nfs/dbraw/zinc/41/28/83/591412883.db2.gz XFXUVXHWCPJQOO-UHFFFAOYSA-N 1 2 234.303 0.762 20 0 BCADLO CCc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000882719750 591420845 /nfs/dbraw/zinc/42/08/45/591420845.db2.gz YHJLPSQHDAIXPX-NSHDSACASA-N 1 2 249.314 0.913 20 0 BCADLO CCc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000882719750 591420848 /nfs/dbraw/zinc/42/08/48/591420848.db2.gz YHJLPSQHDAIXPX-NSHDSACASA-N 1 2 249.314 0.913 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213270473 591459231 /nfs/dbraw/zinc/45/92/31/591459231.db2.gz BCQGAGWPKILESM-MWLCHTKSSA-N 1 2 249.314 0.850 20 0 BCADLO NC(CO)=[NH+]OCCOCC(F)(F)C(F)F ZINC000883012811 591512752 /nfs/dbraw/zinc/51/27/52/591512752.db2.gz UHXGTVIUGBCHIR-UHFFFAOYSA-N 1 2 248.176 0.394 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H](O)C(C)C ZINC000882981412 591491042 /nfs/dbraw/zinc/49/10/42/591491042.db2.gz KSBDKCBFYWAFJY-RKDXNWHRSA-N 1 2 218.297 0.927 20 0 BCADLO O=C1OCCN1CCOc1cc[nH+]cc1 ZINC000882988667 591496439 /nfs/dbraw/zinc/49/64/39/591496439.db2.gz ZZFGDZMVIVRWLI-UHFFFAOYSA-N 1 2 208.217 0.913 20 0 BCADLO Cc1ccc(CO[NH+]=C(N)CO)c(C)n1 ZINC000883012957 591506077 /nfs/dbraw/zinc/50/60/77/591506077.db2.gz ZUNPWYHMIRXMME-UHFFFAOYSA-N 1 2 209.249 0.689 20 0 BCADLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)CO ZINC000883009936 591509956 /nfs/dbraw/zinc/50/99/56/591509956.db2.gz ZAGLVGDPBITNKP-IUCAKERBSA-N 1 2 243.307 0.172 20 0 BCADLO CCCCCCNC(=O)CO[NH+]=C(N)CO ZINC000883010937 591510573 /nfs/dbraw/zinc/51/05/73/591510573.db2.gz FIQNHXQXVCUALM-UHFFFAOYSA-N 1 2 231.296 0.174 20 0 BCADLO NC(CO)=[NH+]OCc1ccc(Cl)nc1 ZINC000883011577 591511106 /nfs/dbraw/zinc/51/11/06/591511106.db2.gz AGTSOUKAMGRJNO-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO CC(C)CCNC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883010951 591511790 /nfs/dbraw/zinc/51/17/90/591511790.db2.gz FZWAWKHEDZNUBX-QMMMGPOBSA-N 1 2 231.296 0.028 20 0 BCADLO NC(CO)=[NH+]OCCCNC(=O)C1CCCC1 ZINC000883012087 591512176 /nfs/dbraw/zinc/51/21/76/591512176.db2.gz SOMMLDPMUFHOIV-UHFFFAOYSA-N 1 2 243.307 0.174 20 0 BCADLO C[C@H]1C[C@@H](CO[NH+]=C(N)CO)CCO1 ZINC000883012908 591512202 /nfs/dbraw/zinc/51/22/02/591512202.db2.gz XMLVWXHDMHPLSH-YUMQZZPRSA-N 1 2 202.254 0.292 20 0 BCADLO NC(CO)=[NH+]OCCO[C@@H]1CCCCO1 ZINC000883012934 591512266 /nfs/dbraw/zinc/51/22/66/591512266.db2.gz YXQXIVXLQMBNLO-SECBINFHSA-N 1 2 218.253 0.020 20 0 BCADLO NC(CO)=[NH+]OCC1CCC2(CC1)OCCO2 ZINC000883012649 591512958 /nfs/dbraw/zinc/51/29/58/591512958.db2.gz NFJUTQLSSUCFPX-UHFFFAOYSA-N 1 2 244.291 0.410 20 0 BCADLO COCC1(CO[NH+]=C(N)CO)CCC1 ZINC000883012778 591513393 /nfs/dbraw/zinc/51/33/93/591513393.db2.gz SMNOIKCQTRPKBA-UHFFFAOYSA-N 1 2 202.254 0.294 20 0 BCADLO NC(CO)=[NH+]OCCC1SCCS1 ZINC000883013222 591514346 /nfs/dbraw/zinc/51/43/46/591514346.db2.gz IWKLUMXWLHJCGY-UHFFFAOYSA-N 1 2 222.335 0.673 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C)C(=O)NCCF)no1 ZINC000883112712 591541474 /nfs/dbraw/zinc/54/14/74/591541474.db2.gz VEYAUOLNBJRWPI-QMMMGPOBSA-N 1 2 229.255 0.547 20 0 BCADLO CCn1nccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000131016044 591541837 /nfs/dbraw/zinc/54/18/37/591541837.db2.gz UEPKGIASRNQMJT-UHFFFAOYSA-N 1 2 237.303 0.852 20 0 BCADLO CCn1nccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000131016044 591541839 /nfs/dbraw/zinc/54/18/39/591541839.db2.gz UEPKGIASRNQMJT-UHFFFAOYSA-N 1 2 237.303 0.852 20 0 BCADLO Cn1cnc(CNc2cc(CO)cc[nH+]2)c1 ZINC000883148052 591552691 /nfs/dbraw/zinc/55/26/91/591552691.db2.gz SKBDBMVDRWLDOB-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CC(N)=O)C(C)(C)C ZINC000131297686 591586795 /nfs/dbraw/zinc/58/67/95/591586795.db2.gz ZRNSASVWRJHZRN-SECBINFHSA-N 1 2 244.335 0.914 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CC(N)=O)C(C)(C)C ZINC000131297686 591586799 /nfs/dbraw/zinc/58/67/99/591586799.db2.gz ZRNSASVWRJHZRN-SECBINFHSA-N 1 2 244.335 0.914 20 0 BCADLO COC(=O)/C(C)=C\C[NH+]1CCN(C(C)=O)CC1 ZINC000214594100 591635672 /nfs/dbraw/zinc/63/56/72/591635672.db2.gz JLEUHAVIUYZNKF-WMZJFQQLSA-N 1 2 240.303 0.270 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@@H](C)C1 ZINC000214706551 591738167 /nfs/dbraw/zinc/73/81/67/591738167.db2.gz ZQGGRJZSWQHFGZ-FWAPLPHYSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@@H](C)C1 ZINC000214706551 591738170 /nfs/dbraw/zinc/73/81/70/591738170.db2.gz ZQGGRJZSWQHFGZ-FWAPLPHYSA-N 1 2 213.277 0.826 20 0 BCADLO CCCCOC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000133082604 591764267 /nfs/dbraw/zinc/76/42/67/591764267.db2.gz CGNKEPJZZWQFOV-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CCCCOC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000133082604 591764273 /nfs/dbraw/zinc/76/42/73/591764273.db2.gz CGNKEPJZZWQFOV-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000889331729 591768961 /nfs/dbraw/zinc/76/89/61/591768961.db2.gz QEECFOUVDJGPDA-NXEZZACHSA-N 1 2 223.276 0.519 20 0 BCADLO COc1nn(C)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000883970089 591785413 /nfs/dbraw/zinc/78/54/13/591785413.db2.gz GMWDDLMHDLMHGH-SSDOTTSWSA-N 1 2 249.274 0.643 20 0 BCADLO COc1nn(C)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000883973433 591786253 /nfs/dbraw/zinc/78/62/53/591786253.db2.gz RKRDEIOPRILZIS-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO COc1nn(C)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000883973433 591786257 /nfs/dbraw/zinc/78/62/57/591786257.db2.gz RKRDEIOPRILZIS-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cn1nc2cnccn2c1=O ZINC000133326949 591788234 /nfs/dbraw/zinc/78/82/34/591788234.db2.gz HHLJQLFFGDYXPQ-SECBINFHSA-N 1 2 233.275 0.333 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cn1nc2cnccn2c1=O ZINC000133326949 591788237 /nfs/dbraw/zinc/78/82/37/591788237.db2.gz HHLJQLFFGDYXPQ-SECBINFHSA-N 1 2 233.275 0.333 20 0 BCADLO CC[C@H](C)n1cc(C[NH+](CCO)CCO)nn1 ZINC000884000159 591790254 /nfs/dbraw/zinc/79/02/54/591790254.db2.gz KXXLSHYRIHGXGT-JTQLQIEISA-N 1 2 242.323 0.036 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H](C(=O)OC)C2)nn1 ZINC000883998529 591790300 /nfs/dbraw/zinc/79/03/00/591790300.db2.gz YWTLZIBYLVHROC-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H](C(=O)OC)C2)nn1 ZINC000883998529 591790301 /nfs/dbraw/zinc/79/03/01/591790301.db2.gz YWTLZIBYLVHROC-VIFPVBQESA-N 1 2 238.291 0.293 20 0 BCADLO CCCNc1cc(N2CCNC(=O)[C@H]2C)nc[nH+]1 ZINC000133459805 591797610 /nfs/dbraw/zinc/79/76/10/591797610.db2.gz LBQLZEAWWAGZGU-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N2CCNC(=O)[C@H]2C)[nH+]cn1 ZINC000133459805 591797614 /nfs/dbraw/zinc/79/76/14/591797614.db2.gz LBQLZEAWWAGZGU-SECBINFHSA-N 1 2 249.318 0.623 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cc(NC)[nH+]cn1 ZINC000133469401 591798584 /nfs/dbraw/zinc/79/85/84/591798584.db2.gz SDHCXCJYCFUCFC-MRVPVSSYSA-N 1 2 235.291 0.233 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cc(NC)nc[nH+]1 ZINC000133469401 591798588 /nfs/dbraw/zinc/79/85/88/591798588.db2.gz SDHCXCJYCFUCFC-MRVPVSSYSA-N 1 2 235.291 0.233 20 0 BCADLO CCOCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800099346 591822023 /nfs/dbraw/zinc/82/20/23/591822023.db2.gz IOFQEKZASYSBAD-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800099346 591822026 /nfs/dbraw/zinc/82/20/26/591822026.db2.gz IOFQEKZASYSBAD-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C2(O)CCC2)CCO1 ZINC000800144691 591828727 /nfs/dbraw/zinc/82/87/27/591828727.db2.gz BBGCIRPPPKFENA-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C2(O)CCC2)CCO1 ZINC000800144691 591828731 /nfs/dbraw/zinc/82/87/31/591828731.db2.gz BBGCIRPPPKFENA-SNVBAGLBSA-N 1 2 243.303 0.165 20 0 BCADLO CO[C@@H](C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800155866 591829031 /nfs/dbraw/zinc/82/90/31/591829031.db2.gz ZDQYCDOXJFTOJL-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@@H](C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800155866 591829032 /nfs/dbraw/zinc/82/90/32/591829032.db2.gz ZDQYCDOXJFTOJL-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](OC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800154449 591829062 /nfs/dbraw/zinc/82/90/62/591829062.db2.gz QTUUUZRUIFXRPU-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](OC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800154449 591829064 /nfs/dbraw/zinc/82/90/64/591829064.db2.gz QTUUUZRUIFXRPU-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800160593 591829621 /nfs/dbraw/zinc/82/96/21/591829621.db2.gz KREGSWWKNQUMFC-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800160593 591829623 /nfs/dbraw/zinc/82/96/23/591829623.db2.gz KREGSWWKNQUMFC-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C(C)(C)F)CCO1 ZINC000800192571 591836897 /nfs/dbraw/zinc/83/68/97/591836897.db2.gz DJWIAJVWLYATPX-SECBINFHSA-N 1 2 233.283 0.998 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C(C)(C)F)CCO1 ZINC000800192571 591836901 /nfs/dbraw/zinc/83/69/01/591836901.db2.gz DJWIAJVWLYATPX-SECBINFHSA-N 1 2 233.283 0.998 20 0 BCADLO CCc1nc(N2CC(S(C)(=O)=O)C2)cc[nH+]1 ZINC000884496645 591957225 /nfs/dbraw/zinc/95/72/25/591957225.db2.gz CERKCFROFFQYER-UHFFFAOYSA-N 1 2 241.316 0.272 20 0 BCADLO CCc1nc(NC[C@@H]2CCN(C(N)=O)C2)cc[nH+]1 ZINC000884506453 591959950 /nfs/dbraw/zinc/95/99/50/591959950.db2.gz DPOAYZZTTHNMFG-VIFPVBQESA-N 1 2 249.318 0.852 20 0 BCADLO CCc1nc(N[C@@H](C(N)=O)C(C)C)cc[nH+]1 ZINC000884509389 591961447 /nfs/dbraw/zinc/96/14/47/591961447.db2.gz DWVFAWVXLBAZRL-SNVBAGLBSA-N 1 2 222.292 0.961 20 0 BCADLO CCc1nc(N(C)Cc2nncn2C)cc[nH+]1 ZINC000884513974 591962467 /nfs/dbraw/zinc/96/24/67/591962467.db2.gz WMISIALZEGIMRF-UHFFFAOYSA-N 1 2 232.291 0.804 20 0 BCADLO CCc1nc(NC[C@H]2CCCNC2=O)cc[nH+]1 ZINC000884528777 591967330 /nfs/dbraw/zinc/96/73/30/591967330.db2.gz YFSCPQZGGYLNPF-SECBINFHSA-N 1 2 234.303 0.977 20 0 BCADLO CCc1nc(N[C@H](CO)[C@@H](C)O)cc[nH+]1 ZINC000884528346 591967399 /nfs/dbraw/zinc/96/73/99/591967399.db2.gz MCTYIMOHXYSHFF-HTQZYQBOSA-N 1 2 211.265 0.193 20 0 BCADLO CCc1nc(NC[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000884529030 591967614 /nfs/dbraw/zinc/96/76/14/591967614.db2.gz DHCKTTPBSKANQY-QMMMGPOBSA-N 1 2 220.276 0.587 20 0 BCADLO CCc1nc(N[C@H]2C[C@H](C(N)=O)C2)cc[nH+]1 ZINC000884564212 591982352 /nfs/dbraw/zinc/98/23/52/591982352.db2.gz AHNJIRNTXYEZCT-ZKCHVHJHSA-N 1 2 220.276 0.715 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)o1 ZINC000884565341 591982598 /nfs/dbraw/zinc/98/25/98/591982598.db2.gz HHYDLHQPKCJQTN-SECBINFHSA-N 1 2 211.265 0.726 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)o1 ZINC000884565341 591982600 /nfs/dbraw/zinc/98/26/00/591982600.db2.gz HHYDLHQPKCJQTN-SECBINFHSA-N 1 2 211.265 0.726 20 0 BCADLO CCc1nc(N[C@H](C)C(=O)N(C)OC)cc[nH+]1 ZINC000884568024 591983527 /nfs/dbraw/zinc/98/35/27/591983527.db2.gz ZIYWWLZGXURBEA-MRVPVSSYSA-N 1 2 238.291 0.859 20 0 BCADLO Cn1ncc2c1nc(N1C[C@@H]3C[C@@H]3C1)[nH+]c2N ZINC000884589807 591989104 /nfs/dbraw/zinc/98/91/04/591989104.db2.gz JNRAXHGKYAUALA-KNVOCYPGSA-N 1 2 230.275 0.402 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1C[C@@H]2C[C@@H]2C1 ZINC000884591217 591989914 /nfs/dbraw/zinc/98/99/14/591989914.db2.gz NLXUGKKWHDCCLO-KNVOCYPGSA-N 1 2 230.275 0.402 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000884623929 591996305 /nfs/dbraw/zinc/99/63/05/591996305.db2.gz SDYHWGYHNCOMCG-ILWJIGKKSA-N 1 2 223.276 0.390 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)COC2CC2)CCO1 ZINC000884658657 592005737 /nfs/dbraw/zinc/00/57/37/592005737.db2.gz TUGXFKPYSLRSLX-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)COC2CC2)CCO1 ZINC000884658657 592005739 /nfs/dbraw/zinc/00/57/39/592005739.db2.gz TUGXFKPYSLRSLX-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@H]3CCCO3)C2)nc(N)[nH+]1 ZINC000884742861 592016441 /nfs/dbraw/zinc/01/64/41/592016441.db2.gz VFABRLUKSNHJEV-NXEZZACHSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]([C@H]3CCCO3)C2)[nH+]1 ZINC000884742861 592016445 /nfs/dbraw/zinc/01/64/45/592016445.db2.gz VFABRLUKSNHJEV-NXEZZACHSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@@H]3CCCO3)C2)nc(N)[nH+]1 ZINC000884742868 592016472 /nfs/dbraw/zinc/01/64/72/592016472.db2.gz VFABRLUKSNHJEV-ZJUUUORDSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]([C@@H]3CCCO3)C2)[nH+]1 ZINC000884742868 592016473 /nfs/dbraw/zinc/01/64/73/592016473.db2.gz VFABRLUKSNHJEV-ZJUUUORDSA-N 1 2 249.318 0.768 20 0 BCADLO COCCOC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000884939958 592030235 /nfs/dbraw/zinc/03/02/35/592030235.db2.gz GJKRNVKZOXSNHB-JTQLQIEISA-N 1 2 246.307 0.080 20 0 BCADLO COCCOC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000885065953 592044085 /nfs/dbraw/zinc/04/40/85/592044085.db2.gz ISZOZXFXMBESRU-VHSXEESVSA-N 1 2 246.307 0.078 20 0 BCADLO COCCOC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000885065953 592044087 /nfs/dbraw/zinc/04/40/87/592044087.db2.gz ISZOZXFXMBESRU-VHSXEESVSA-N 1 2 246.307 0.078 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000885077780 592047436 /nfs/dbraw/zinc/04/74/36/592047436.db2.gz FJVLUVLQYPDGIG-MRVPVSSYSA-N 1 2 221.260 0.532 20 0 BCADLO C[C@@H]1CCC(=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000885083746 592049554 /nfs/dbraw/zinc/04/95/54/592049554.db2.gz URKXIBYCYNTLHS-SECBINFHSA-N 1 2 235.287 0.543 20 0 BCADLO COCCOC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000885119733 592053721 /nfs/dbraw/zinc/05/37/21/592053721.db2.gz JFCAMQBLJHLAKB-SECBINFHSA-N 1 2 239.275 0.571 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@](C)(O)C(F)F ZINC000885972867 592118226 /nfs/dbraw/zinc/11/82/26/592118226.db2.gz MADJGXCNUFKKPO-VIFPVBQESA-N 1 2 225.235 0.497 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@](C)(O)C(F)F ZINC000885972867 592118228 /nfs/dbraw/zinc/11/82/28/592118228.db2.gz MADJGXCNUFKKPO-VIFPVBQESA-N 1 2 225.235 0.497 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCO[C@H](C(F)F)C1)C(F)F ZINC000886190498 592173218 /nfs/dbraw/zinc/17/32/18/592173218.db2.gz SVTADQVVNMNBOM-IMTBSYHQSA-N 1 2 245.216 0.968 20 0 BCADLO C[C@@](O)(C[N@H+]1CCO[C@H](C(F)F)C1)C(F)F ZINC000886190498 592173219 /nfs/dbraw/zinc/17/32/19/592173219.db2.gz SVTADQVVNMNBOM-IMTBSYHQSA-N 1 2 245.216 0.968 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)CC(=O)N1 ZINC000886231917 592182144 /nfs/dbraw/zinc/18/21/44/592182144.db2.gz NFPUOGFDDBJOAH-YUSALJHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)CC(=O)N1 ZINC000886231917 592182145 /nfs/dbraw/zinc/18/21/45/592182145.db2.gz NFPUOGFDDBJOAH-YUSALJHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886249154 592182823 /nfs/dbraw/zinc/18/28/23/592182823.db2.gz DNRVCVNLXRREDE-QXFUBDJGSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CCO1 ZINC000886249154 592182825 /nfs/dbraw/zinc/18/28/25/592182825.db2.gz DNRVCVNLXRREDE-QXFUBDJGSA-N 1 2 239.262 0.084 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886241410 592183654 /nfs/dbraw/zinc/18/36/54/592183654.db2.gz XYJKFPVKOGEPJV-MDZLAQPJSA-N 1 2 241.331 0.936 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886252232 592187640 /nfs/dbraw/zinc/18/76/40/592187640.db2.gz XUPCRBOUFWJSSX-SNVBAGLBSA-N 1 2 236.262 0.514 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886252232 592187642 /nfs/dbraw/zinc/18/76/42/592187642.db2.gz XUPCRBOUFWJSSX-SNVBAGLBSA-N 1 2 236.262 0.514 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CO[C@@H](C)C2)n1 ZINC000886325405 592208888 /nfs/dbraw/zinc/20/88/88/592208888.db2.gz DTTIWWPAUUSTQC-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CO[C@@H](C)C2)[nH]1 ZINC000886325405 592208891 /nfs/dbraw/zinc/20/88/91/592208891.db2.gz DTTIWWPAUUSTQC-YUMQZZPRSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CO[C@H](C)C2)n1 ZINC000886325404 592209088 /nfs/dbraw/zinc/20/90/88/592209088.db2.gz DTTIWWPAUUSTQC-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CO[C@H](C)C2)[nH]1 ZINC000886325404 592209089 /nfs/dbraw/zinc/20/90/89/592209089.db2.gz DTTIWWPAUUSTQC-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)on1 ZINC000886452838 592226626 /nfs/dbraw/zinc/22/66/26/592226626.db2.gz QQGVHPIQDWWDIL-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Cc1cc(C[N@H+]2CCCn3nncc3C2)on1 ZINC000886452838 592226627 /nfs/dbraw/zinc/22/66/27/592226627.db2.gz QQGVHPIQDWWDIL-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO c1cc(C[N@@H+]2CCCn3nncc3C2)on1 ZINC000886453010 592226777 /nfs/dbraw/zinc/22/67/77/592226777.db2.gz XWDVJKIYWDAAML-UHFFFAOYSA-N 1 2 219.248 0.672 20 0 BCADLO c1cc(C[N@H+]2CCCn3nncc3C2)on1 ZINC000886453010 592226779 /nfs/dbraw/zinc/22/67/79/592226779.db2.gz XWDVJKIYWDAAML-UHFFFAOYSA-N 1 2 219.248 0.672 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCCn2nncc2C1 ZINC000886468945 592229636 /nfs/dbraw/zinc/22/96/36/592229636.db2.gz ZEAAWZUHFLLSOA-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO Cc1nccnc1C[N@H+]1CCCn2nncc2C1 ZINC000886468945 592229638 /nfs/dbraw/zinc/22/96/38/592229638.db2.gz ZEAAWZUHFLLSOA-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@@H]1CC1CC1 ZINC000886474413 592230370 /nfs/dbraw/zinc/23/03/70/592230370.db2.gz PVZJTDXJZPNWDD-LBPRGKRZSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ncco1 ZINC000886536528 592251077 /nfs/dbraw/zinc/25/10/77/592251077.db2.gz JVXYZYWCKWTUJC-LURJTMIESA-N 1 2 233.218 0.707 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ncco1 ZINC000886539202 592252387 /nfs/dbraw/zinc/25/23/87/592252387.db2.gz WHKYQKXWIYOYQW-IUCAKERBSA-N 1 2 223.276 0.946 20 0 BCADLO CC(C)([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000070153077 592252722 /nfs/dbraw/zinc/25/27/22/592252722.db2.gz PLVXUOHARXUHTO-UHFFFAOYSA-N 1 2 218.260 0.661 20 0 BCADLO CC(C)([NH3+])C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000070153077 592252728 /nfs/dbraw/zinc/25/27/28/592252728.db2.gz PLVXUOHARXUHTO-UHFFFAOYSA-N 1 2 218.260 0.661 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)[nH]1 ZINC000886568260 592262018 /nfs/dbraw/zinc/26/20/18/592262018.db2.gz DYJZMRHBVGZUPA-KNVOCYPGSA-N 1 2 226.305 0.305 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)[nH]1 ZINC000886568260 592262020 /nfs/dbraw/zinc/26/20/20/592262020.db2.gz DYJZMRHBVGZUPA-KNVOCYPGSA-N 1 2 226.305 0.305 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000886592149 592270148 /nfs/dbraw/zinc/27/01/48/592270148.db2.gz MDPFIPYNLSOAAD-JGVFFNPUSA-N 1 2 237.246 0.545 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)c1c[nH]cn1)C2 ZINC000886621636 592276891 /nfs/dbraw/zinc/27/68/91/592276891.db2.gz WRPOKSHPBAGKPP-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](CO)C2)c[nH+]1 ZINC000886893696 592389925 /nfs/dbraw/zinc/38/99/25/592389925.db2.gz GQSWAAFYZNWZGH-ZKCHVHJHSA-N 1 2 209.249 0.219 20 0 BCADLO COC[C@H]([NH2+]CC(=O)OC)[C@@H]1CCCOC1 ZINC000886906552 592393173 /nfs/dbraw/zinc/39/31/73/592393173.db2.gz YQWCZQBROLZDNQ-ZJUUUORDSA-N 1 2 231.292 0.191 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)OC)[C@@H]1CCCOC1 ZINC000886906549 592393717 /nfs/dbraw/zinc/39/37/17/592393717.db2.gz YQWCZQBROLZDNQ-NXEZZACHSA-N 1 2 231.292 0.191 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000886905701 592394171 /nfs/dbraw/zinc/39/41/71/592394171.db2.gz KFSRNVJOWCXNAY-QWRGUYRKSA-N 1 2 245.319 0.581 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(=O)OC)[C@@H]1CCCOC1 ZINC000886906316 592394199 /nfs/dbraw/zinc/39/41/99/592394199.db2.gz VGXJRKCUOXEDFL-MXWKQRLJSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCOC1=O)[C@H]1CCCOC1 ZINC000886908588 592394781 /nfs/dbraw/zinc/39/47/81/592394781.db2.gz VPSXAFCABAZKIU-DCAQKATOSA-N 1 2 243.303 0.333 20 0 BCADLO COC[C@H](C)[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886941712 592398481 /nfs/dbraw/zinc/39/84/81/592398481.db2.gz JQBOPRBTAFHRIQ-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO COC[C@H](C)[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886941713 592399075 /nfs/dbraw/zinc/39/90/75/592399075.db2.gz JQBOPRBTAFHRIQ-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO CCOCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886947239 592400267 /nfs/dbraw/zinc/40/02/67/592400267.db2.gz ZBPZDJBGRUHDRS-QWRGUYRKSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](C)OC ZINC000886946363 592400390 /nfs/dbraw/zinc/40/03/90/592400390.db2.gz JUDXTWDCCTZSQE-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO CC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886953087 592400401 /nfs/dbraw/zinc/40/04/01/592400401.db2.gz UAXVMWXLOZVLEI-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO COCCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886946324 592400858 /nfs/dbraw/zinc/40/08/58/592400858.db2.gz JNQGQWOHWKUGMN-MNOVXSKESA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCO ZINC000886952602 592401067 /nfs/dbraw/zinc/40/10/67/592401067.db2.gz LDEGBRDMRBZZAP-ZJUUUORDSA-N 1 2 231.292 0.069 20 0 BCADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCOC ZINC000886958738 592401968 /nfs/dbraw/zinc/40/19/68/592401968.db2.gz DDWYENGYJYOIMF-QWRGUYRKSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCO ZINC000886962613 592402351 /nfs/dbraw/zinc/40/23/51/592402351.db2.gz AWYVCNQQVHLNFL-ZJUUUORDSA-N 1 2 231.292 0.069 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886975743 592403773 /nfs/dbraw/zinc/40/37/73/592403773.db2.gz XQBIYQKEVZGDSQ-JTQLQIEISA-N 1 2 239.315 0.977 20 0 BCADLO CCOCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887071786 592433924 /nfs/dbraw/zinc/43/39/24/592433924.db2.gz BGPSWPGUAVEYFH-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCOCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887071786 592433927 /nfs/dbraw/zinc/43/39/27/592433927.db2.gz BGPSWPGUAVEYFH-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CC[C@H](C)O ZINC000887077148 592435508 /nfs/dbraw/zinc/43/55/08/592435508.db2.gz FNNUGCYLAHSGJV-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CC[C@H](C)O ZINC000887077148 592435517 /nfs/dbraw/zinc/43/55/17/592435517.db2.gz FNNUGCYLAHSGJV-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCSC ZINC000887072526 592435900 /nfs/dbraw/zinc/43/59/00/592435900.db2.gz RBCOCHIAUBHOPX-QMMMGPOBSA-N 1 2 235.374 0.940 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCSC ZINC000887072526 592435902 /nfs/dbraw/zinc/43/59/02/592435902.db2.gz RBCOCHIAUBHOPX-QMMMGPOBSA-N 1 2 235.374 0.940 20 0 BCADLO CC(C)C[C@H]1C(=O)N[C@@H](c2c[nH]c[nH+]2)N1C ZINC000887332765 592481337 /nfs/dbraw/zinc/48/13/37/592481337.db2.gz MFJAXNLFLDBDSQ-VHSXEESVSA-N 1 2 222.292 0.885 20 0 BCADLO COCC1CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000887934087 592560742 /nfs/dbraw/zinc/56/07/42/592560742.db2.gz QQIABWALKVBEKP-UHFFFAOYSA-N 1 2 235.287 0.922 20 0 BCADLO Cc1[nH]c(C(=O)NC2CC(CCO)C2)c[nH+]1 ZINC000889975869 592665780 /nfs/dbraw/zinc/66/57/80/592665780.db2.gz IDNUYFREJVHWTI-UHFFFAOYSA-N 1 2 223.276 0.609 20 0 BCADLO COc1nn(C)cc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000890037289 592670146 /nfs/dbraw/zinc/67/01/46/592670146.db2.gz WMAKUSJXFNQARI-UHFFFAOYSA-N 1 2 249.274 0.390 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2=CCCCO2)c1 ZINC000890109774 592674484 /nfs/dbraw/zinc/67/44/84/592674484.db2.gz GKCXDVAJOJISAJ-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)[C@@H]1CCCO1 ZINC000890100355 592679215 /nfs/dbraw/zinc/67/92/15/592679215.db2.gz SYCPMTONKREVRT-KOLCDFICSA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C23CC(C2)C3)c1 ZINC000890103419 592679833 /nfs/dbraw/zinc/67/98/33/592679833.db2.gz KNXJAHUKVJURTD-UHFFFAOYSA-N 1 2 205.261 0.836 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890102836 592679859 /nfs/dbraw/zinc/67/98/59/592679859.db2.gz AVQVTJHWFLMECJ-SNVBAGLBSA-N 1 2 239.319 0.833 20 0 BCADLO Cc1nnc(C(=O)NCc2cn(C)c[nH+]2)s1 ZINC000890104072 592680360 /nfs/dbraw/zinc/68/03/60/592680360.db2.gz HIYBGCWEEVQSOE-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO Cc1ncc(C(=O)NCc2cn(C)c[nH+]2)c(N)n1 ZINC000890103842 592680426 /nfs/dbraw/zinc/68/04/26/592680426.db2.gz DSLOTEYUPJQDIU-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BCADLO CC1=NO[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890103990 592680442 /nfs/dbraw/zinc/68/04/42/592680442.db2.gz GEDSZSQXOMTERX-VIFPVBQESA-N 1 2 222.248 0.201 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H](O)C2CCC2)c1 ZINC000890105222 592680866 /nfs/dbraw/zinc/68/08/66/592680866.db2.gz ZNZMRGLQDFZBJZ-JTQLQIEISA-N 1 2 223.276 0.197 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1 ZINC000890104875 592680897 /nfs/dbraw/zinc/68/08/97/592680897.db2.gz SBIVIHPUWURZII-GDPRMGEGSA-N 1 2 247.298 0.652 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CSC2CC2)c1 ZINC000890106839 592680996 /nfs/dbraw/zinc/68/09/96/592680996.db2.gz GAIMBGCZJKKLRB-UHFFFAOYSA-N 1 2 225.317 0.932 20 0 BCADLO CO[C@@](C)(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890106508 592681483 /nfs/dbraw/zinc/68/14/83/592681483.db2.gz AWMYKLZACLLOTI-GFCCVEGCSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H](CC(=O)NCc1cn(C)c[nH+]1)n1cccn1 ZINC000890105228 592681625 /nfs/dbraw/zinc/68/16/25/592681625.db2.gz ZTMDNUGUCSMWEP-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000890106758 592681732 /nfs/dbraw/zinc/68/17/32/592681732.db2.gz DATGZMZHDHYDBW-RKDXNWHRSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCO2)c1 ZINC000890109483 592682512 /nfs/dbraw/zinc/68/25/12/592682512.db2.gz OSGWPQHRDNKPAM-VIFPVBQESA-N 1 2 209.249 0.215 20 0 BCADLO CCn1nccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108211 592682572 /nfs/dbraw/zinc/68/25/72/592682572.db2.gz VSPWBJUUBQQMTF-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO Cc1ccnc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890107605 592682631 /nfs/dbraw/zinc/68/26/31/592682631.db2.gz MRUYPYVRZKBYCU-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)c(C)nn1 ZINC000890109295 592682753 /nfs/dbraw/zinc/68/27/53/592682753.db2.gz JSSBJGALPUYSRV-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CCCn1cc(C(=O)NCc2cn(C)c[nH+]2)nn1 ZINC000890110284 592684227 /nfs/dbraw/zinc/68/42/27/592684227.db2.gz YFZQVJMUEMRQAB-UHFFFAOYSA-N 1 2 248.290 0.352 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C(=O)C(C)(C)C)c1 ZINC000890113670 592684400 /nfs/dbraw/zinc/68/44/00/592684400.db2.gz LJBNXKAIWANFKY-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCS2)c1 ZINC000890110633 592684665 /nfs/dbraw/zinc/68/46/65/592684665.db2.gz SCOPJFMLGSLRRI-VIFPVBQESA-N 1 2 225.317 0.932 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117468 592685274 /nfs/dbraw/zinc/68/52/74/592685274.db2.gz ROKQLYKQXWKKGC-ZJUUUORDSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2ccnn2C)c1 ZINC000890114424 592685417 /nfs/dbraw/zinc/68/54/17/592685417.db2.gz KXXJARITKNJNCE-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cn1c[nH+]c(CNC(=O)/C=C\c2cnn(C)c2)c1 ZINC000890117928 592685428 /nfs/dbraw/zinc/68/54/28/592685428.db2.gz ZUXGNMLMECPWLU-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO CCCOCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114303 592685439 /nfs/dbraw/zinc/68/54/39/592685439.db2.gz FIXMJCQLBPKORZ-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO CCC[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890119436 592685964 /nfs/dbraw/zinc/68/59/64/592685964.db2.gz HPCCEXUYANNOHD-VIFPVBQESA-N 1 2 211.265 0.197 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)c1nnn(C)n1 ZINC000890493564 592703102 /nfs/dbraw/zinc/70/31/02/592703102.db2.gz ZMAYNWNHLTXVDU-UHFFFAOYSA-N 1 2 232.247 0.474 20 0 BCADLO C[C@H](C(=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000381528712 597060672 /nfs/dbraw/zinc/06/06/72/597060672.db2.gz XYFFXEWWLVJRDZ-SECBINFHSA-N 1 2 223.276 0.993 20 0 BCADLO O=C([O-])C1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000042543487 598075813 /nfs/dbraw/zinc/07/58/13/598075813.db2.gz SWXBMWPXJPSHOK-UHFFFAOYSA-N 1 2 223.276 0.870 20 0 BCADLO O=C([O-])[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000062133224 598186283 /nfs/dbraw/zinc/18/62/83/598186283.db2.gz KENUOWPVKHCBSQ-SNVBAGLBSA-N 1 2 223.276 0.680 20 0 BCADLO O=C([O-])[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000062133224 598186284 /nfs/dbraw/zinc/18/62/84/598186284.db2.gz KENUOWPVKHCBSQ-SNVBAGLBSA-N 1 2 223.276 0.680 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000225835705 598214000 /nfs/dbraw/zinc/21/40/00/598214000.db2.gz WTKSBGONZHYFEG-DTWKUNHWSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000225835705 598214001 /nfs/dbraw/zinc/21/40/01/598214001.db2.gz WTKSBGONZHYFEG-DTWKUNHWSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)[O-])[NH+](C)C ZINC000738938078 602649787 /nfs/dbraw/zinc/64/97/87/602649787.db2.gz GJHYRZAPRAAKHF-ZJUUUORDSA-N 1 2 229.324 0.669 20 0 BCADLO CC1(C)COC[C@@H]1[NH2+]CC(F)(F)CO ZINC000312988154 634424154 /nfs/dbraw/zinc/42/41/54/634424154.db2.gz VIQVFDILRIAQTG-ZETCQYMHSA-N 1 2 209.236 0.629 20 0 BCADLO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ncn(C)n1 ZINC000312974464 634426771 /nfs/dbraw/zinc/42/67/71/634426771.db2.gz LFIOXRPJRVBBFP-IUCAKERBSA-N 1 2 224.308 0.891 20 0 BCADLO C[C@H](C(N)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026738393 634434295 /nfs/dbraw/zinc/43/42/95/634434295.db2.gz LWXONYYOINHPNL-MRVPVSSYSA-N 1 2 237.259 0.900 20 0 BCADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026738393 634434299 /nfs/dbraw/zinc/43/42/99/634434299.db2.gz LWXONYYOINHPNL-MRVPVSSYSA-N 1 2 237.259 0.900 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnns1 ZINC001027711389 635123769 /nfs/dbraw/zinc/12/37/69/635123769.db2.gz MDNPQDSFYBZYSM-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnns1 ZINC001027711389 635123772 /nfs/dbraw/zinc/12/37/72/635123772.db2.gz MDNPQDSFYBZYSM-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO CCN1CC[C@@H]([N@H+]2Cc3c[nH]nc3[C@H](C)C2)C1=O ZINC000931468119 634469562 /nfs/dbraw/zinc/46/95/62/634469562.db2.gz VKVLMTRYQVSROT-MWLCHTKSSA-N 1 2 248.330 0.950 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2Cc3c[nH]nc3[C@H](C)C2)C1=O ZINC000931468119 634469568 /nfs/dbraw/zinc/46/95/68/634469568.db2.gz VKVLMTRYQVSROT-MWLCHTKSSA-N 1 2 248.330 0.950 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001009825831 634594006 /nfs/dbraw/zinc/59/40/06/634594006.db2.gz SDUCKCJOOHGHGO-LLVKDONJSA-N 1 2 248.330 0.886 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001009825831 634594012 /nfs/dbraw/zinc/59/40/12/634594012.db2.gz SDUCKCJOOHGHGO-LLVKDONJSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308270885 631234895 /nfs/dbraw/zinc/23/48/95/631234895.db2.gz RYHOMXGDRNVLGU-LURJTMIESA-N 1 2 225.119 0.858 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308270885 631234894 /nfs/dbraw/zinc/23/48/94/631234894.db2.gz RYHOMXGDRNVLGU-LURJTMIESA-N 1 2 225.119 0.858 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000933326709 631258287 /nfs/dbraw/zinc/25/82/87/631258287.db2.gz FZJXPTBJSXRWPQ-NWDGAFQWSA-N 1 2 245.319 0.139 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000933326709 631258295 /nfs/dbraw/zinc/25/82/95/631258295.db2.gz FZJXPTBJSXRWPQ-NWDGAFQWSA-N 1 2 245.319 0.139 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000933326710 631258552 /nfs/dbraw/zinc/25/85/52/631258552.db2.gz FZJXPTBJSXRWPQ-RYUDHWBXSA-N 1 2 245.319 0.139 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCO[C@H]1CCOC1 ZINC000933326710 631258556 /nfs/dbraw/zinc/25/85/56/631258556.db2.gz FZJXPTBJSXRWPQ-RYUDHWBXSA-N 1 2 245.319 0.139 20 0 BCADLO Cc1cc(C(=O)NCc2ccc(N)[nH+]c2)n(C)n1 ZINC000308393926 631310943 /nfs/dbraw/zinc/31/09/43/631310943.db2.gz TWMUTQXHYBZZJT-UHFFFAOYSA-N 1 2 245.286 0.636 20 0 BCADLO CC(C)[C@@H](CCO)[NH2+][C@H]1CCOC1=O ZINC000308500889 631318804 /nfs/dbraw/zinc/31/88/04/631318804.db2.gz GMAREXVJQLSCIC-BDAKNGLRSA-N 1 2 201.266 0.299 20 0 BCADLO C[N@@H+](Cc1cccc(=O)[nH]1)CC1OCCO1 ZINC000933397990 631359068 /nfs/dbraw/zinc/35/90/68/631359068.db2.gz HYNXRTQANOPPKU-UHFFFAOYSA-N 1 2 224.260 0.592 20 0 BCADLO C[N@H+](Cc1cccc(=O)[nH]1)CC1OCCO1 ZINC000933397990 631359071 /nfs/dbraw/zinc/35/90/71/631359071.db2.gz HYNXRTQANOPPKU-UHFFFAOYSA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538890 631398238 /nfs/dbraw/zinc/39/82/38/631398238.db2.gz MTGYPWUMOMVPGC-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538890 631398242 /nfs/dbraw/zinc/39/82/42/631398242.db2.gz MTGYPWUMOMVPGC-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538885 631399240 /nfs/dbraw/zinc/39/92/40/631399240.db2.gz MTGYPWUMOMVPGC-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538885 631399245 /nfs/dbraw/zinc/39/92/45/631399245.db2.gz MTGYPWUMOMVPGC-CMPLNLGQSA-N 1 2 239.319 0.828 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCOCC1 ZINC000082302431 631402800 /nfs/dbraw/zinc/40/28/00/631402800.db2.gz IUNDZUHDENMKCO-UHFFFAOYSA-N 1 2 231.255 0.807 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)n(C)c2)CC[N@@H+]1C ZINC000933561204 631410816 /nfs/dbraw/zinc/41/08/16/631410816.db2.gz ZDFFBQZOGGZDMH-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)n(C)c2)CC[N@H+]1C ZINC000933561204 631410819 /nfs/dbraw/zinc/41/08/19/631410819.db2.gz ZDFFBQZOGGZDMH-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1cscn1 ZINC000308509963 631410943 /nfs/dbraw/zinc/41/09/43/631410943.db2.gz RPLAAQRMTIMKEW-QMMMGPOBSA-N 1 2 216.306 0.318 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1cscn1 ZINC000308509963 631410944 /nfs/dbraw/zinc/41/09/44/631410944.db2.gz RPLAAQRMTIMKEW-QMMMGPOBSA-N 1 2 216.306 0.318 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)CC ZINC000308531559 631421501 /nfs/dbraw/zinc/42/15/01/631421501.db2.gz RUNQNZFVAZFVMU-QMMMGPOBSA-N 1 2 203.282 0.689 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000308598264 631435960 /nfs/dbraw/zinc/43/59/60/631435960.db2.gz NLSZQQBQCHNSKT-IONNQARKSA-N 1 2 201.266 0.299 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CC)CO ZINC000308620989 631447360 /nfs/dbraw/zinc/44/73/60/631447360.db2.gz TWHYTBROJCDSFM-IUCAKERBSA-N 1 2 203.282 0.689 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cc(NC)[nH+]cn1 ZINC000234374814 631473449 /nfs/dbraw/zinc/47/34/49/631473449.db2.gz DSRMHCMISOVWSC-QMMMGPOBSA-N 1 2 237.307 0.337 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cc(NC)nc[nH+]1 ZINC000234374814 631473454 /nfs/dbraw/zinc/47/34/54/631473454.db2.gz DSRMHCMISOVWSC-QMMMGPOBSA-N 1 2 237.307 0.337 20 0 BCADLO CNc1cc(N2C[C@@H](OC)[C@@H](OC)C2)nc[nH+]1 ZINC000234483453 631542096 /nfs/dbraw/zinc/54/20/96/631542096.db2.gz TWGBQSGHNDTGQC-DTORHVGOSA-N 1 2 238.291 0.368 20 0 BCADLO CNc1cc(N2C[C@@H](OC)[C@@H](OC)C2)[nH+]cn1 ZINC000234483453 631542104 /nfs/dbraw/zinc/54/21/04/631542104.db2.gz TWGBQSGHNDTGQC-DTORHVGOSA-N 1 2 238.291 0.368 20 0 BCADLO c1cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)n[nH]1 ZINC000933903157 631546544 /nfs/dbraw/zinc/54/65/44/631546544.db2.gz QSHXORUHGKDZIA-SNVBAGLBSA-N 1 2 223.276 0.747 20 0 BCADLO c1cc(C[N@H+]2CCC[C@@H]2C2OCCO2)n[nH]1 ZINC000933903157 631546549 /nfs/dbraw/zinc/54/65/49/631546549.db2.gz QSHXORUHGKDZIA-SNVBAGLBSA-N 1 2 223.276 0.747 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1[nH]c[nH+]c1C ZINC000933990681 631578619 /nfs/dbraw/zinc/57/86/19/631578619.db2.gz OQIGNSWTRGDOAW-SNVBAGLBSA-N 1 2 211.265 0.495 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934010415 631585153 /nfs/dbraw/zinc/58/51/53/631585153.db2.gz CYJIIKDSWXWUAP-SECBINFHSA-N 1 2 214.309 0.215 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934010415 631585158 /nfs/dbraw/zinc/58/51/58/631585158.db2.gz CYJIIKDSWXWUAP-SECBINFHSA-N 1 2 214.309 0.215 20 0 BCADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@H]2CO)on1 ZINC000934011102 631587204 /nfs/dbraw/zinc/58/72/04/631587204.db2.gz JILCCHGYCMTRNJ-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO CCOC(=O)c1cc(C[N@H+]2CC[C@H]2CO)on1 ZINC000934011102 631587211 /nfs/dbraw/zinc/58/72/11/631587211.db2.gz JILCCHGYCMTRNJ-QMMMGPOBSA-N 1 2 240.259 0.418 20 0 BCADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934012566 631591096 /nfs/dbraw/zinc/59/10/96/631591096.db2.gz ABPIEDMBPRGEFS-JGVFFNPUSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@@H]1CO ZINC000934012566 631591102 /nfs/dbraw/zinc/59/11/02/631591102.db2.gz ABPIEDMBPRGEFS-JGVFFNPUSA-N 1 2 213.306 0.974 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]1CO ZINC000934026853 631604058 /nfs/dbraw/zinc/60/40/58/631604058.db2.gz ORHQOFMYYSDYTD-JTQLQIEISA-N 1 2 235.349 0.266 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]1CO ZINC000934026853 631604060 /nfs/dbraw/zinc/60/40/60/631604060.db2.gz ORHQOFMYYSDYTD-JTQLQIEISA-N 1 2 235.349 0.266 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)N1CCc2ccccc21 ZINC000934027167 631608830 /nfs/dbraw/zinc/60/88/30/631608830.db2.gz SCYVUEGOBDNSBI-LBPRGKRZSA-N 1 2 246.310 0.642 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)N1CCc2ccccc21 ZINC000934027167 631608834 /nfs/dbraw/zinc/60/88/34/631608834.db2.gz SCYVUEGOBDNSBI-LBPRGKRZSA-N 1 2 246.310 0.642 20 0 BCADLO C[C@@H]1C[NH+](CCN2CC[C@@H]2CO)C[C@@H](C)O1 ZINC000934019574 631618010 /nfs/dbraw/zinc/61/80/10/631618010.db2.gz QKQKGKUVVZDUIQ-IJLUTSLNSA-N 1 2 228.336 0.162 20 0 BCADLO Nc1nc(C[N@@H+]2CC[C@@H]2CO)nc2ccccc12 ZINC000934022525 631620699 /nfs/dbraw/zinc/62/06/99/631620699.db2.gz MXNHNLTWJKHZHS-SECBINFHSA-N 1 2 244.298 0.779 20 0 BCADLO Nc1nc(C[N@H+]2CC[C@@H]2CO)nc2ccccc12 ZINC000934022525 631620703 /nfs/dbraw/zinc/62/07/03/631620703.db2.gz MXNHNLTWJKHZHS-SECBINFHSA-N 1 2 244.298 0.779 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]1CO ZINC000934023408 631624404 /nfs/dbraw/zinc/62/44/04/631624404.db2.gz HKZOVHNCJZMTKY-IUCAKERBSA-N 1 2 215.293 0.783 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]1CO ZINC000934023408 631624406 /nfs/dbraw/zinc/62/44/06/631624406.db2.gz HKZOVHNCJZMTKY-IUCAKERBSA-N 1 2 215.293 0.783 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2cncs2)C1=O ZINC000934195725 631727109 /nfs/dbraw/zinc/72/71/09/631727109.db2.gz QOYLXWCABJUFNB-JGVFFNPUSA-N 1 2 241.316 0.956 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2nccn2C2CC2)C1 ZINC000892204992 631782214 /nfs/dbraw/zinc/78/22/14/631782214.db2.gz DSDIKXCWOYORQF-PHIMTYICSA-N 1 2 237.303 0.146 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2nccn2C2CC2)C1 ZINC000892204992 631782218 /nfs/dbraw/zinc/78/22/18/631782218.db2.gz DSDIKXCWOYORQF-PHIMTYICSA-N 1 2 237.303 0.146 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2cc(=O)[nH]cn2)CCO1 ZINC000892246487 631812870 /nfs/dbraw/zinc/81/28/70/631812870.db2.gz LXXFGEVPXSKIGJ-SECBINFHSA-N 1 2 238.291 0.315 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2cc(=O)[nH]cn2)CCO1 ZINC000892246487 631812873 /nfs/dbraw/zinc/81/28/73/631812873.db2.gz LXXFGEVPXSKIGJ-SECBINFHSA-N 1 2 238.291 0.315 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](CO)C1CC1 ZINC000309040972 631824034 /nfs/dbraw/zinc/82/40/34/631824034.db2.gz LFNDICYNLWXMFD-ZJUUUORDSA-N 1 2 215.293 0.689 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cnn1C ZINC000934575512 631946149 /nfs/dbraw/zinc/94/61/49/631946149.db2.gz JKROTJMGGWPOPZ-GHMZBOCLSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cnn1C ZINC000934575512 631946156 /nfs/dbraw/zinc/94/61/56/631946156.db2.gz JKROTJMGGWPOPZ-GHMZBOCLSA-N 1 2 227.283 0.633 20 0 BCADLO CC[C@H](F)C(=O)N1CC[NH+](CCOC)CC1 ZINC000949686813 632028340 /nfs/dbraw/zinc/02/83/40/632028340.db2.gz NNTKMKYGLHKZCD-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO S=C1OCCN1C[NH+]1CCSCC1 ZINC000124017893 632085008 /nfs/dbraw/zinc/08/50/08/632085008.db2.gz WVVUYWRFRLMCQV-UHFFFAOYSA-N 1 2 218.347 0.610 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000926504010 632400906 /nfs/dbraw/zinc/40/09/06/632400906.db2.gz QCZJZXRRZKCQRB-BDAKNGLRSA-N 1 2 234.303 0.442 20 0 BCADLO C[C@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C=CCC1 ZINC000935018616 632415251 /nfs/dbraw/zinc/41/52/51/632415251.db2.gz ZBRCWNPZOLQKEA-OCCSQVGLSA-N 1 2 249.358 0.459 20 0 BCADLO CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC=CC1 ZINC000935018633 632415452 /nfs/dbraw/zinc/41/54/52/632415452.db2.gz ZNJTUIQJWOEHNH-GFCCVEGCSA-N 1 2 249.358 0.459 20 0 BCADLO Cn1cnc(/C=C/C(=O)OCCn2cc[nH+]c2)c1 ZINC000924492123 632445573 /nfs/dbraw/zinc/44/55/73/632445573.db2.gz BVPZXNPINYXKQP-NSCUHMNNSA-N 1 2 246.270 0.873 20 0 BCADLO Nc1cc(COC(=O)[C@@H]2CCCO2)cc[nH+]1 ZINC000309551025 632480162 /nfs/dbraw/zinc/48/01/62/632480162.db2.gz KDXXFWQJRYFWMN-VIFPVBQESA-N 1 2 222.244 0.886 20 0 BCADLO Nc1cc(COC(=O)c2cc[nH]n2)cc[nH+]1 ZINC000309544407 632481418 /nfs/dbraw/zinc/48/14/18/632481418.db2.gz HMMKPTZORUNRAW-UHFFFAOYSA-N 1 2 218.216 0.744 20 0 BCADLO Cc1cc(C[NH2+]C2(C(N)=O)CCCC2)no1 ZINC000309623560 632585794 /nfs/dbraw/zinc/58/57/94/632585794.db2.gz FCMAWWIKVLSUGY-UHFFFAOYSA-N 1 2 223.276 0.871 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)N2CCC[C@@]2(C)C1=O ZINC000291263503 632652273 /nfs/dbraw/zinc/65/22/73/632652273.db2.gz ZHXUFAFCZKSMCR-LBPRGKRZSA-N 1 2 248.286 0.737 20 0 BCADLO COc1ccc[nH+]c1NCc1cnnn1C ZINC000309849901 632674508 /nfs/dbraw/zinc/67/45/08/632674508.db2.gz IPHTZDHXKSKVNA-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CC1(C)COC1 ZINC000260953628 632687777 /nfs/dbraw/zinc/68/77/77/632687777.db2.gz HGMCNPLWKXKNJZ-VIFPVBQESA-N 1 2 245.344 0.613 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CC1(C)COC1 ZINC000260953628 632687779 /nfs/dbraw/zinc/68/77/79/632687779.db2.gz HGMCNPLWKXKNJZ-VIFPVBQESA-N 1 2 245.344 0.613 20 0 BCADLO C[C@H]([NH2+]Cc1cn(C)cn1)C(=O)NC(C)(C)C ZINC000310287155 632715030 /nfs/dbraw/zinc/71/50/30/632715030.db2.gz XZNYRJKAUMKZCI-VIFPVBQESA-N 1 2 238.335 0.813 20 0 BCADLO COCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179515950 632740489 /nfs/dbraw/zinc/74/04/89/632740489.db2.gz XCDSXCSGQZEBPJ-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[S@](=O)CCNc1nc[nH+]c(N)c1Cl ZINC000235722045 632821096 /nfs/dbraw/zinc/82/10/96/632821096.db2.gz BFOFCNUDXCVNNN-AWEZNQCLSA-N 1 2 234.712 0.503 20 0 BCADLO C[S@@](=O)CCNc1nc[nH+]c(N)c1Cl ZINC000235719047 632821350 /nfs/dbraw/zinc/82/13/50/632821350.db2.gz BFOFCNUDXCVNNN-CQSZACIVSA-N 1 2 234.712 0.503 20 0 BCADLO Cc1nonc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000235809113 632833370 /nfs/dbraw/zinc/83/33/70/632833370.db2.gz VSNJNOPFAUVCDR-ZCFIWIBFSA-N 1 2 225.170 0.391 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cn[nH]n1 ZINC000935595247 632848104 /nfs/dbraw/zinc/84/81/04/632848104.db2.gz CCTNMNPAXKBWAV-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cn[nH]n1 ZINC000935595247 632848108 /nfs/dbraw/zinc/84/81/08/632848108.db2.gz CCTNMNPAXKBWAV-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1c[nH]nn1 ZINC000935595247 632848110 /nfs/dbraw/zinc/84/81/10/632848110.db2.gz CCTNMNPAXKBWAV-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1c[nH]nn1 ZINC000935595247 632848113 /nfs/dbraw/zinc/84/81/13/632848113.db2.gz CCTNMNPAXKBWAV-ZETCQYMHSA-N 1 2 223.280 0.616 20 0 BCADLO Cc1ccncc1C[NH2+]Cc1cnn(C)n1 ZINC000309288760 632893308 /nfs/dbraw/zinc/89/33/08/632893308.db2.gz VGLMCTVRGDOTRN-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO CNc1cc(N2CCC[C@](C)(O)C2)nc[nH+]1 ZINC000157552873 632915876 /nfs/dbraw/zinc/91/58/76/632915876.db2.gz HDURLDBNMNJTCG-NSHDSACASA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@](C)(O)C2)[nH+]cn1 ZINC000157552873 632915886 /nfs/dbraw/zinc/91/58/86/632915886.db2.gz HDURLDBNMNJTCG-NSHDSACASA-N 1 2 222.292 0.870 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000926773008 633026197 /nfs/dbraw/zinc/02/61/97/633026197.db2.gz YDLFCOWQJOMXFK-RKDXNWHRSA-N 1 2 240.307 0.479 20 0 BCADLO CCn1cc(CNc2cc(N(C)C)nc[nH+]2)nn1 ZINC000894536929 635907229 /nfs/dbraw/zinc/90/72/29/635907229.db2.gz HEPLZXQZLURVQK-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CCn1cc(CNc2cc(N(C)C)[nH+]cn2)nn1 ZINC000894536929 635907231 /nfs/dbraw/zinc/90/72/31/635907231.db2.gz HEPLZXQZLURVQK-UHFFFAOYSA-N 1 2 247.306 0.766 20 0 BCADLO CC(=O)CC[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000309433818 633064437 /nfs/dbraw/zinc/06/44/37/633064437.db2.gz ZQRZXZIBGPGZKY-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO CC(C)N1C[C@@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000164240586 633074812 /nfs/dbraw/zinc/07/48/12/633074812.db2.gz CHYKOUCIWIBIGI-VIFPVBQESA-N 1 2 222.292 0.509 20 0 BCADLO CNc1cc(NCc2nnnn2C2CC2)nc[nH+]1 ZINC000892719305 633172594 /nfs/dbraw/zinc/17/25/94/633172594.db2.gz QZHRIYFYKLDLTO-UHFFFAOYSA-N 1 2 246.278 0.452 20 0 BCADLO CNc1cc(NCc2nnnn2C2CC2)[nH+]cn1 ZINC000892719305 633172596 /nfs/dbraw/zinc/17/25/96/633172596.db2.gz QZHRIYFYKLDLTO-UHFFFAOYSA-N 1 2 246.278 0.452 20 0 BCADLO Cn1cnc(/C=C/C(=O)NCc2c[nH+]cn2C)c1 ZINC000936024990 633185687 /nfs/dbraw/zinc/18/56/87/633185687.db2.gz VADFCUDHEJUGBJ-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO Cn1cnc(/C=C\C(=O)NCc2c[nH+]cn2C)c1 ZINC000936024989 633185891 /nfs/dbraw/zinc/18/58/91/633185891.db2.gz VADFCUDHEJUGBJ-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000306868560 635976297 /nfs/dbraw/zinc/97/62/97/635976297.db2.gz REPKYWBNFYCYQG-JGVFFNPUSA-N 1 2 213.306 0.787 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3cncnc3)C2)n[nH]1 ZINC000895006686 636015566 /nfs/dbraw/zinc/01/55/66/636015566.db2.gz BKENLRCNZBFNHK-LLVKDONJSA-N 1 2 244.302 0.893 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)n[nH]1 ZINC000895006686 636015569 /nfs/dbraw/zinc/01/55/69/636015569.db2.gz BKENLRCNZBFNHK-LLVKDONJSA-N 1 2 244.302 0.893 20 0 BCADLO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)o1 ZINC000928554238 636091496 /nfs/dbraw/zinc/09/14/96/636091496.db2.gz GLTHSULEURYLSM-VIFPVBQESA-N 1 2 236.271 0.916 20 0 BCADLO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)o1 ZINC000928554238 636091498 /nfs/dbraw/zinc/09/14/98/636091498.db2.gz GLTHSULEURYLSM-VIFPVBQESA-N 1 2 236.271 0.916 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](CC2OCCO2)C1 ZINC000182412690 633944714 /nfs/dbraw/zinc/94/47/14/633944714.db2.gz UDKHBXDVRBISBP-MRVPVSSYSA-N 1 2 241.209 0.358 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](CC2OCCO2)C1 ZINC000182412690 633944719 /nfs/dbraw/zinc/94/47/19/633944719.db2.gz UDKHBXDVRBISBP-MRVPVSSYSA-N 1 2 241.209 0.358 20 0 BCADLO OC[C@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000309631963 633978007 /nfs/dbraw/zinc/97/80/07/633978007.db2.gz KUJLUCDIUIUVMW-VIFPVBQESA-N 1 2 223.276 0.808 20 0 BCADLO CN1C[C@H](CCNc2cc(CO)cc[nH+]2)CC1=O ZINC000895477832 636150709 /nfs/dbraw/zinc/15/07/09/636150709.db2.gz BGEJFKGXXDHAGH-SNVBAGLBSA-N 1 2 249.314 0.854 20 0 BCADLO CNc1cc(N2CCN(C)C(=O)[C@H]2C)nc[nH+]1 ZINC000893273387 634036156 /nfs/dbraw/zinc/03/61/56/634036156.db2.gz IXTQDYBNHLPDSD-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N2CCN(C)C(=O)[C@H]2C)[nH+]cn1 ZINC000893273387 634036160 /nfs/dbraw/zinc/03/61/60/634036160.db2.gz IXTQDYBNHLPDSD-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186810751 634085435 /nfs/dbraw/zinc/08/54/35/634085435.db2.gz SDVSCNMBXBWGPB-MNOVXSKESA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186810751 634085443 /nfs/dbraw/zinc/08/54/43/634085443.db2.gz SDVSCNMBXBWGPB-MNOVXSKESA-N 1 2 229.320 0.888 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000924125490 634100794 /nfs/dbraw/zinc/10/07/94/634100794.db2.gz JUVYDJWKZGLWMP-HBNTYKKESA-N 1 2 243.303 0.285 20 0 BCADLO CC[C@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930872512 634146923 /nfs/dbraw/zinc/14/69/23/634146923.db2.gz MEUQGZVIDKRVNB-GZMMTYOYSA-N 1 2 215.293 0.831 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000296536851 634202796 /nfs/dbraw/zinc/20/27/96/634202796.db2.gz DRYQAZVKQAFAHE-DTWKUNHWSA-N 1 2 238.291 0.291 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000296536851 634202799 /nfs/dbraw/zinc/20/27/99/634202799.db2.gz DRYQAZVKQAFAHE-DTWKUNHWSA-N 1 2 238.291 0.291 20 0 BCADLO C[C@H]1C[N@H+](Cc2nncs2)C[C@]1(C)CO ZINC000931065197 634208663 /nfs/dbraw/zinc/20/86/63/634208663.db2.gz FXCFNDVRIPRSNH-WCBMZHEXSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nncs2)C[C@]1(C)CO ZINC000931065197 634208669 /nfs/dbraw/zinc/20/86/69/634208669.db2.gz FXCFNDVRIPRSNH-WCBMZHEXSA-N 1 2 227.333 0.988 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CCC1OCCO1 ZINC000194419188 634316495 /nfs/dbraw/zinc/31/64/95/634316495.db2.gz LCYINWOLSKIVGT-UHFFFAOYSA-N 1 2 249.274 0.631 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)cn1 ZINC001027711201 635124418 /nfs/dbraw/zinc/12/44/18/635124418.db2.gz ICNLNEYDMBOFJB-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)cn1 ZINC001027711201 635124421 /nfs/dbraw/zinc/12/44/21/635124421.db2.gz ICNLNEYDMBOFJB-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000893546566 635134685 /nfs/dbraw/zinc/13/46/85/635134685.db2.gz SVEAGFHMIMKUHE-ZCFIWIBFSA-N 1 2 248.124 0.985 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000893546566 635134689 /nfs/dbraw/zinc/13/46/89/635134689.db2.gz SVEAGFHMIMKUHE-ZCFIWIBFSA-N 1 2 248.124 0.985 20 0 BCADLO CNc1cc(N2CC[C@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000893567329 635167205 /nfs/dbraw/zinc/16/72/05/635167205.db2.gz LTDWIKBUHNKPHI-LBPRGKRZSA-N 1 2 247.302 0.235 20 0 BCADLO CNc1cc(N2CC[C@]3(CNC(=O)C3)C2)[nH+]cn1 ZINC000893567329 635167208 /nfs/dbraw/zinc/16/72/08/635167208.db2.gz LTDWIKBUHNKPHI-LBPRGKRZSA-N 1 2 247.302 0.235 20 0 BCADLO CN(C)c1cc(N2CCC(O)CC2)nc[nH+]1 ZINC000258670676 635185989 /nfs/dbraw/zinc/18/59/89/635185989.db2.gz HZDHXYRQNAZYQK-UHFFFAOYSA-N 1 2 222.292 0.504 20 0 BCADLO CN(C)c1cc(N2CCC(O)CC2)[nH+]cn1 ZINC000258670676 635185995 /nfs/dbraw/zinc/18/59/95/635185995.db2.gz HZDHXYRQNAZYQK-UHFFFAOYSA-N 1 2 222.292 0.504 20 0 BCADLO COCC(=O)N1CCC[N@H+](CCF)CC1 ZINC000980577291 635238431 /nfs/dbraw/zinc/23/84/31/635238431.db2.gz NYMBQLNDHBHUOW-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO COCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980577291 635238439 /nfs/dbraw/zinc/23/84/39/635238439.db2.gz NYMBQLNDHBHUOW-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO O=C1C[N@H+](Cc2ccccn2)CCCN1 ZINC000259253731 635258319 /nfs/dbraw/zinc/25/83/19/635258319.db2.gz IVFFMQBCBSHJAY-UHFFFAOYSA-N 1 2 205.261 0.404 20 0 BCADLO O=C1C[N@@H+](Cc2ccccn2)CCCN1 ZINC000259253731 635258324 /nfs/dbraw/zinc/25/83/24/635258324.db2.gz IVFFMQBCBSHJAY-UHFFFAOYSA-N 1 2 205.261 0.404 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CCCCO1 ZINC000125959978 635350661 /nfs/dbraw/zinc/35/06/61/635350661.db2.gz ZCRIECRMVVYIOA-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCCCO1 ZINC000125959978 635350667 /nfs/dbraw/zinc/35/06/67/635350667.db2.gz ZCRIECRMVVYIOA-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@@H]([NH2+][C@H]1CNOC1)c1nccn1C ZINC000925870768 635585101 /nfs/dbraw/zinc/58/51/01/635585101.db2.gz IRYWPGOCCJRFPQ-DTWKUNHWSA-N 1 2 210.281 0.364 20 0 BCADLO COC(C)(C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000928599005 636171279 /nfs/dbraw/zinc/17/12/79/636171279.db2.gz XLKZPYJVBCDXGL-VIFPVBQESA-N 1 2 225.292 0.813 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOCc1ccccn1 ZINC000909532560 636190564 /nfs/dbraw/zinc/19/05/64/636190564.db2.gz ZCLACOFJBLAQQZ-UHFFFAOYSA-N 1 2 246.270 0.916 20 0 BCADLO CNc1cc(N2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000127182563 636299875 /nfs/dbraw/zinc/29/98/75/636299875.db2.gz SQSCBJSOWRPUPC-MRVPVSSYSA-N 1 2 235.291 0.220 20 0 BCADLO CNc1cc(N2CCC[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000127182563 636299882 /nfs/dbraw/zinc/29/98/82/636299882.db2.gz SQSCBJSOWRPUPC-MRVPVSSYSA-N 1 2 235.291 0.220 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000928896656 636472527 /nfs/dbraw/zinc/47/25/27/636472527.db2.gz GESZAALFYSPCNS-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928913629 636506518 /nfs/dbraw/zinc/50/65/18/636506518.db2.gz OUFGBSCFZNOGSO-JFGNBEQYSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000928915651 636510750 /nfs/dbraw/zinc/51/07/50/636510750.db2.gz JXFMBEDJUFPKAD-OUAUKWLOSA-N 1 2 237.303 0.985 20 0 BCADLO NC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000067711773 636774157 /nfs/dbraw/zinc/77/41/57/636774157.db2.gz XYRRZORQZRINBV-UHFFFAOYSA-N 1 2 241.678 0.657 20 0 BCADLO COCCO[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000179343030 636809942 /nfs/dbraw/zinc/80/99/42/636809942.db2.gz WUVFMMFJSUQMDW-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COCCO[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000179343030 636809949 /nfs/dbraw/zinc/80/99/49/636809949.db2.gz WUVFMMFJSUQMDW-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCCC3(CCC3)O2)CCN1 ZINC000929138162 636829083 /nfs/dbraw/zinc/82/90/83/636829083.db2.gz QAYHOMAUIXBYHF-LLVKDONJSA-N 1 2 238.331 0.910 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCCC3(CCC3)O2)CCN1 ZINC000929138162 636829084 /nfs/dbraw/zinc/82/90/84/636829084.db2.gz QAYHOMAUIXBYHF-LLVKDONJSA-N 1 2 238.331 0.910 20 0 BCADLO C[C@@]1([NH2+]Cc2cscn2)CCNC1=O ZINC000897873203 636840921 /nfs/dbraw/zinc/84/09/21/636840921.db2.gz YEPCBWCIAGTVMX-SECBINFHSA-N 1 2 211.290 0.511 20 0 BCADLO C[C@H](c1nc(Cn2cccn2)no1)[NH+](C)C ZINC000923825870 636906598 /nfs/dbraw/zinc/90/65/98/636906598.db2.gz HVZBNLCQIDCKID-MRVPVSSYSA-N 1 2 221.264 0.937 20 0 BCADLO CC(=O)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923895296 637016912 /nfs/dbraw/zinc/01/69/12/637016912.db2.gz OJYRDEXHCQZCPU-JTQLQIEISA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923895296 637016917 /nfs/dbraw/zinc/01/69/17/637016917.db2.gz OJYRDEXHCQZCPU-JTQLQIEISA-N 1 2 213.277 0.991 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895815 637018595 /nfs/dbraw/zinc/01/85/95/637018595.db2.gz DEMHQGQTVAECQV-SFYZADRCSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895815 637018601 /nfs/dbraw/zinc/01/86/01/637018601.db2.gz DEMHQGQTVAECQV-SFYZADRCSA-N 1 2 249.274 0.851 20 0 BCADLO COC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898502609 637046160 /nfs/dbraw/zinc/04/61/60/637046160.db2.gz GVAZAFYKQHAEGT-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO COC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898502609 637046165 /nfs/dbraw/zinc/04/61/65/637046165.db2.gz GVAZAFYKQHAEGT-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000898890077 637063343 /nfs/dbraw/zinc/06/33/43/637063343.db2.gz ZHXCDJFGJJVZQK-KLBPJQLPSA-N 1 2 249.314 0.616 20 0 BCADLO C[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898888865 637063384 /nfs/dbraw/zinc/06/33/84/637063384.db2.gz QXKBIEHJLQYXCU-WCBMZHEXSA-N 1 2 237.303 0.616 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C)CCC1 ZINC000898888917 637064447 /nfs/dbraw/zinc/06/44/47/637064447.db2.gz SAKHPAKLQXZYPF-SECBINFHSA-N 1 2 237.303 0.760 20 0 BCADLO CC(C)(CNC(=O)C1(C)COC1)n1cc[nH+]c1 ZINC000898906773 637064956 /nfs/dbraw/zinc/06/49/56/637064956.db2.gz OUVNFBFNXDQTKO-UHFFFAOYSA-N 1 2 237.303 0.771 20 0 BCADLO COC1(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898909568 637065253 /nfs/dbraw/zinc/06/52/53/637065253.db2.gz ALIWITZIUOFWJF-UHFFFAOYSA-N 1 2 237.303 0.913 20 0 BCADLO CC(C)OC(=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900029365 637170909 /nfs/dbraw/zinc/17/09/09/637170909.db2.gz WSEUHEOWAJFIFT-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO Nc1[nH+]cccc1Cn1nnc(C(F)(F)F)n1 ZINC000902648003 637320540 /nfs/dbraw/zinc/32/05/40/637320540.db2.gz NCYGSTMZRNULHW-UHFFFAOYSA-N 1 2 244.180 0.717 20 0 BCADLO OCC(F)(F)C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903154001 637348201 /nfs/dbraw/zinc/34/82/01/637348201.db2.gz VCVPVGJTVLOKGD-BDAKNGLRSA-N 1 2 237.246 0.152 20 0 BCADLO COC(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905082249 637582436 /nfs/dbraw/zinc/58/24/36/637582436.db2.gz WEERZVXONDSOJI-UHFFFAOYSA-N 1 2 236.271 0.910 20 0 BCADLO Cn1nncc1NC(=O)CCCn1cc[nH+]c1 ZINC000905111299 637619129 /nfs/dbraw/zinc/61/91/29/637619129.db2.gz RLOCQQYHKKAMIP-UHFFFAOYSA-N 1 2 234.263 0.431 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000905151823 637661156 /nfs/dbraw/zinc/66/11/56/637661156.db2.gz OKPYLLCAROPJHX-NXEZZACHSA-N 1 2 238.291 0.217 20 0 BCADLO CC1(C)CN[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905325744 637757449 /nfs/dbraw/zinc/75/74/49/637757449.db2.gz XNMOYYGSSVJRAT-ZCFIWIBFSA-N 1 2 208.265 0.688 20 0 BCADLO CCNC(=S)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905656248 637872564 /nfs/dbraw/zinc/87/25/64/637872564.db2.gz JHEMFXGWDJQZGB-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO Cc1nnc(C[NH2+]C[C@@H](O)C(F)(F)F)[nH]1 ZINC000905669438 637883277 /nfs/dbraw/zinc/88/32/77/637883277.db2.gz SIDSRBWIXSIUAJ-RXMQYKEDSA-N 1 2 224.186 0.126 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C)CC2)C1 ZINC000905743651 637905367 /nfs/dbraw/zinc/90/53/67/637905367.db2.gz XYDZJSFVDLJDMP-GHMZBOCLSA-N 1 2 242.319 0.302 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCO[C@H](C)CC2)C1 ZINC000905743651 637905371 /nfs/dbraw/zinc/90/53/71/637905371.db2.gz XYDZJSFVDLJDMP-GHMZBOCLSA-N 1 2 242.319 0.302 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OC ZINC000905768681 637922682 /nfs/dbraw/zinc/92/26/82/637922682.db2.gz AFNDWZYRHMVLIZ-NGZCFLSTSA-N 1 2 244.335 0.688 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000905774567 637929322 /nfs/dbraw/zinc/92/93/22/637929322.db2.gz QPJBQISFJACVDF-KYXWUPHJSA-N 1 2 242.319 0.428 20 0 BCADLO C[C@@H](O)CCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817251 637944187 /nfs/dbraw/zinc/94/41/87/637944187.db2.gz OEVMUKFPWRTKPF-SECBINFHSA-N 1 2 247.302 0.617 20 0 BCADLO O[C@H](CCC1(O)CCC1)Cn1cc[nH+]c1 ZINC000905874572 637957995 /nfs/dbraw/zinc/95/79/95/637957995.db2.gz MGFJODHESNRUSC-SNVBAGLBSA-N 1 2 210.277 0.939 20 0 BCADLO O=[S@@](CC[NH+]1CCC1)C(F)(F)F ZINC000905949263 637996108 /nfs/dbraw/zinc/99/61/08/637996108.db2.gz IUDLRFNJKWDUTK-LBPRGKRZSA-N 1 2 201.213 0.961 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CC[S@](=O)C(F)(F)F ZINC000905956627 638003129 /nfs/dbraw/zinc/00/31/29/638003129.db2.gz KXFYUGMMQWKXGF-ZIDLFYJRSA-N 1 2 245.266 0.976 20 0 BCADLO COC[C@@H]1CC[N@H+]1CC[S@](=O)C(F)(F)F ZINC000905956627 638003135 /nfs/dbraw/zinc/00/31/35/638003135.db2.gz KXFYUGMMQWKXGF-ZIDLFYJRSA-N 1 2 245.266 0.976 20 0 BCADLO CCc1nc[nH]c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000906198184 638115908 /nfs/dbraw/zinc/11/59/08/638115908.db2.gz DNIOVBLTCAHPCN-VIFPVBQESA-N 1 2 247.302 0.987 20 0 BCADLO c1[nH]nc2c1C[N@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906287784 638133202 /nfs/dbraw/zinc/13/32/02/638133202.db2.gz CVYINKBQNMWHKI-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO c1[nH]nc2c1C[N@@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906287784 638133206 /nfs/dbraw/zinc/13/32/06/638133206.db2.gz CVYINKBQNMWHKI-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO c1c(C[N@@H+]2CCc3nn[nH]c3C2)nnn1C1CC1 ZINC000906295834 638133971 /nfs/dbraw/zinc/13/39/71/638133971.db2.gz DZKHASKGMUBEMC-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO c1c(C[N@H+]2CCc3nn[nH]c3C2)nnn1C1CC1 ZINC000906295834 638133978 /nfs/dbraw/zinc/13/39/78/638133978.db2.gz DZKHASKGMUBEMC-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907311678 638338618 /nfs/dbraw/zinc/33/86/18/638338618.db2.gz KYTUREYCRQRNFK-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1CCO ZINC000907541439 638397927 /nfs/dbraw/zinc/39/79/27/638397927.db2.gz SGMILIFQPLIMMI-SNVBAGLBSA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@]12CCOC2=O ZINC000907538716 638399042 /nfs/dbraw/zinc/39/90/42/638399042.db2.gz VVPQHKSKGJBVIS-GFCCVEGCSA-N 1 2 249.270 0.260 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)C1 ZINC000907515007 638400238 /nfs/dbraw/zinc/40/02/38/638400238.db2.gz IUTUCTVXQWIJBS-YUSALJHKSA-N 1 2 236.315 0.420 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1CCO ZINC000907553178 638405169 /nfs/dbraw/zinc/40/51/69/638405169.db2.gz GSWNFKARELHDKB-ONGXEEELSA-N 1 2 237.303 0.620 20 0 BCADLO CC[C@@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000907631671 638424561 /nfs/dbraw/zinc/42/45/61/638424561.db2.gz XBENCDPJJNADFA-LBPRGKRZSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)[C@@H](C)O1 ZINC000907613731 638433360 /nfs/dbraw/zinc/43/33/60/638433360.db2.gz ZWRRKBDXGZXSSA-KXUCPTDWSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)CNc1cccc[nH+]1 ZINC000907665002 638438546 /nfs/dbraw/zinc/43/85/46/638438546.db2.gz VYKQNNPGRFWWND-NXEZZACHSA-N 1 2 235.287 0.475 20 0 BCADLO CC(C)(O)[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907906175 638508424 /nfs/dbraw/zinc/50/84/24/638508424.db2.gz ZHTWVYGDSVYDHK-JTQLQIEISA-N 1 2 249.270 0.405 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000907941169 638516543 /nfs/dbraw/zinc/51/65/43/638516543.db2.gz RRDZTCPXULFHPH-VHSXEESVSA-N 1 2 205.261 0.867 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC12CC2 ZINC000908060092 638556733 /nfs/dbraw/zinc/55/67/33/638556733.db2.gz TVWBRDNGTFTPFW-UHFFFAOYSA-N 1 2 221.260 0.344 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C(F)F)C1 ZINC000908036156 638557997 /nfs/dbraw/zinc/55/79/97/638557997.db2.gz NHGUKKSBYXSTHG-MRVPVSSYSA-N 1 2 245.229 0.445 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908256548 638619832 /nfs/dbraw/zinc/61/98/32/638619832.db2.gz CISVXWIGQVRMEQ-FBIMIBRVSA-N 1 2 233.271 0.261 20 0 BCADLO C[C@H](C(=O)NCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000908261989 638626585 /nfs/dbraw/zinc/62/65/85/638626585.db2.gz UHQKVHKVMRKFKB-GXSJLCMTSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)C1CCCC1 ZINC000908301522 638650133 /nfs/dbraw/zinc/65/01/33/638650133.db2.gz STTMPGDTBGAEHY-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO C=C=CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908333521 638655112 /nfs/dbraw/zinc/65/51/12/638655112.db2.gz FLVJCTBZGJOIML-ZRDIBKRKSA-N 1 2 236.315 0.722 20 0 BCADLO C/C(=C/C(=O)N[C@@H](C)CF)C[NH+]1CCOCC1 ZINC000908377535 638673059 /nfs/dbraw/zinc/67/30/59/638673059.db2.gz JBSDQMXVYFXQRX-BRNRAETOSA-N 1 2 244.310 0.739 20 0 BCADLO C[C@@H](CF)NC(=O)CNc1cccc[nH+]1 ZINC000908378268 638676272 /nfs/dbraw/zinc/67/62/72/638676272.db2.gz VOPQWXKUTIUTCR-QMMMGPOBSA-N 1 2 211.240 0.968 20 0 BCADLO CCN(CC(C)=O)C(=O)CC[NH+]1CCOCC1 ZINC000908392573 638690843 /nfs/dbraw/zinc/69/08/43/638690843.db2.gz VFEWPDUKAXHSBN-UHFFFAOYSA-N 1 2 242.319 0.146 20 0 BCADLO Cc1ccnc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000908436153 638712949 /nfs/dbraw/zinc/71/29/49/638712949.db2.gz ZWPJFHFAJWGRMK-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(=O)C1 ZINC000908465296 638726391 /nfs/dbraw/zinc/72/63/91/638726391.db2.gz GDTUVRVVXKMECM-ZETCQYMHSA-N 1 2 221.260 0.436 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(=O)C1 ZINC000908465296 638726394 /nfs/dbraw/zinc/72/63/94/638726394.db2.gz GDTUVRVVXKMECM-ZETCQYMHSA-N 1 2 221.260 0.436 20 0 BCADLO O=C(NC1CC(=O)C1)c1cccc2[nH+]ccn21 ZINC000908470410 638734782 /nfs/dbraw/zinc/73/47/82/638734782.db2.gz GNIPHWWTCRCJMF-UHFFFAOYSA-N 1 2 229.239 0.796 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(=O)C1 ZINC000908471882 638736306 /nfs/dbraw/zinc/73/63/06/638736306.db2.gz SAABTQABNNKPMC-UHFFFAOYSA-N 1 2 207.233 0.108 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H](O)CC1 ZINC000908456078 638742297 /nfs/dbraw/zinc/74/22/97/638742297.db2.gz CCBINIMMMPBEAT-NSHDSACASA-N 1 2 249.314 0.867 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H](O)CC1 ZINC000908456077 638743467 /nfs/dbraw/zinc/74/34/67/638743467.db2.gz CCBINIMMMPBEAT-LLVKDONJSA-N 1 2 249.314 0.867 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908518915 638754374 /nfs/dbraw/zinc/75/43/74/638754374.db2.gz KFTHZWGPGKSMER-VIFPVBQESA-N 1 2 211.265 0.182 20 0 BCADLO COC[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908540607 639005842 /nfs/dbraw/zinc/00/58/42/639005842.db2.gz IZAIDVRBOHFMEV-GFCCVEGCSA-N 1 2 237.303 0.837 20 0 BCADLO CC1(C)OCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908549622 639010103 /nfs/dbraw/zinc/01/01/03/639010103.db2.gz CSMYGTNWTYLONO-VIFPVBQESA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C(C)(C)O ZINC000908586915 639025357 /nfs/dbraw/zinc/02/53/57/639025357.db2.gz MXMGQGSRDZZDEG-MRVPVSSYSA-N 1 2 225.292 0.570 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757491 639062245 /nfs/dbraw/zinc/06/22/45/639062245.db2.gz BCGXXDCCQKZWQF-CNVPUSNMSA-N 1 2 249.314 0.595 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761671 639063698 /nfs/dbraw/zinc/06/36/98/639063698.db2.gz VQGKWDPRLCNRQB-QXEWZRGKSA-N 1 2 235.287 0.349 20 0 BCADLO CCC(C)(C)C(=O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758941 639064049 /nfs/dbraw/zinc/06/40/49/639064049.db2.gz UANRFVKIZDZSJP-SECBINFHSA-N 1 2 249.314 0.929 20 0 BCADLO Cc1ccncc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000909013800 639113707 /nfs/dbraw/zinc/11/37/07/639113707.db2.gz DVVHJRNNVJJYRQ-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO O=C(CCF)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024591 639127660 /nfs/dbraw/zinc/12/76/60/639127660.db2.gz FZKJNUIYBIOHLG-AOOOYVTPSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(CCF)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024591 639127663 /nfs/dbraw/zinc/12/76/63/639127663.db2.gz FZKJNUIYBIOHLG-AOOOYVTPSA-N 1 2 230.283 0.325 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856533 639233542 /nfs/dbraw/zinc/23/35/42/639233542.db2.gz NOBQKKDZOVFVSJ-UMBAGQNISA-N 1 2 223.276 0.016 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909857578 639233752 /nfs/dbraw/zinc/23/37/52/639233752.db2.gz WWMBRTHXBVEFPH-GXSJLCMTSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c1 ZINC000909857612 639233851 /nfs/dbraw/zinc/23/38/51/639233851.db2.gz WWYRTFONDKLODP-YUSALJHKSA-N 1 2 247.298 0.304 20 0 BCADLO CC[C@@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000909924806 639270208 /nfs/dbraw/zinc/27/02/08/639270208.db2.gz KMPNAJQQHVLFCR-SNVBAGLBSA-N 1 2 212.249 0.587 20 0 BCADLO CC[C@@H]1OCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909929189 639278544 /nfs/dbraw/zinc/27/85/44/639278544.db2.gz DJKSDMNCDYMZQJ-ZJUUUORDSA-N 1 2 223.276 0.636 20 0 BCADLO CC[C@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000909929971 639279900 /nfs/dbraw/zinc/27/99/00/639279900.db2.gz JDIJZJRSWXVEMQ-NSHDSACASA-N 1 2 224.260 0.868 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](O)C(C)C ZINC000910453957 639456562 /nfs/dbraw/zinc/45/65/62/639456562.db2.gz QNXKKYMFTDKXDG-PWSUYJOCSA-N 1 2 239.319 0.864 20 0 BCADLO Cc1ccnc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000911013647 639566569 /nfs/dbraw/zinc/56/65/69/639566569.db2.gz LXYLTPHFJVUYEO-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO COc1cc(C(=O)NCCn2cc[nH+]c2)ncn1 ZINC000930222681 639640752 /nfs/dbraw/zinc/64/07/52/639640752.db2.gz QTZPFUYJQXFBRF-UHFFFAOYSA-N 1 2 247.258 0.112 20 0 BCADLO C[C@H]1SCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911603880 639673577 /nfs/dbraw/zinc/67/35/77/639673577.db2.gz CFIZZDANUPHFBU-APPZFPTMSA-N 1 2 225.317 0.962 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1C(=O)CNc1cccc[nH+]1 ZINC000911601216 639674134 /nfs/dbraw/zinc/67/41/34/639674134.db2.gz LOJVNGRVDAYCFC-SECBINFHSA-N 1 2 248.286 0.140 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000930288164 639681395 /nfs/dbraw/zinc/68/13/95/639681395.db2.gz SVUFQKBISKVNKR-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000930288164 639681398 /nfs/dbraw/zinc/68/13/98/639681398.db2.gz SVUFQKBISKVNKR-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@@H]1CCOC1 ZINC000930286757 639682547 /nfs/dbraw/zinc/68/25/47/639682547.db2.gz APFNKWAYKBXBLT-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000930286757 639682555 /nfs/dbraw/zinc/68/25/55/639682555.db2.gz APFNKWAYKBXBLT-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000930308320 639696259 /nfs/dbraw/zinc/69/62/59/639696259.db2.gz WVZOMESNINXDQQ-GZMMTYOYSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000930308320 639696262 /nfs/dbraw/zinc/69/62/62/639696262.db2.gz WVZOMESNINXDQQ-GZMMTYOYSA-N 1 2 208.261 0.139 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)c(C)nn1 ZINC000930361742 639733493 /nfs/dbraw/zinc/73/34/93/639733493.db2.gz XZPLTHOPDVQEAZ-GFCCVEGCSA-N 1 2 239.294 1.000 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)c(C)nn1 ZINC000930361742 639733499 /nfs/dbraw/zinc/73/34/99/639733499.db2.gz XZPLTHOPDVQEAZ-GFCCVEGCSA-N 1 2 239.294 1.000 20 0 BCADLO COCCOCC[N@H+](C)Cc1nn(C)cc1C ZINC000930502251 639779827 /nfs/dbraw/zinc/77/98/27/639779827.db2.gz FTQYPZBQIQGBLM-UHFFFAOYSA-N 1 2 241.335 0.823 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nn(C)cc1C ZINC000930502251 639779836 /nfs/dbraw/zinc/77/98/36/639779836.db2.gz FTQYPZBQIQGBLM-UHFFFAOYSA-N 1 2 241.335 0.823 20 0 BCADLO C[N@H+](C[C@H]1COCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000930562099 639810869 /nfs/dbraw/zinc/81/08/69/639810869.db2.gz LASUQJHBFXJGCA-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO C[N@@H+](C[C@H]1COCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000930562099 639810870 /nfs/dbraw/zinc/81/08/70/639810870.db2.gz LASUQJHBFXJGCA-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000930614090 639822298 /nfs/dbraw/zinc/82/22/98/639822298.db2.gz DJCRYMJOGUIETL-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000930614090 639822300 /nfs/dbraw/zinc/82/23/00/639822300.db2.gz DJCRYMJOGUIETL-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622739 639826246 /nfs/dbraw/zinc/82/62/46/639826246.db2.gz GIXKAJFOKNPMCP-LLVKDONJSA-N 1 2 245.273 0.930 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622739 639826248 /nfs/dbraw/zinc/82/62/48/639826248.db2.gz GIXKAJFOKNPMCP-LLVKDONJSA-N 1 2 245.273 0.930 20 0 BCADLO Cc1cccc([C@@H](O)C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000930641911 639839972 /nfs/dbraw/zinc/83/99/72/639839972.db2.gz IKDYALMEUBMUAJ-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H](O)C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000930641911 639839974 /nfs/dbraw/zinc/83/99/74/639839974.db2.gz IKDYALMEUBMUAJ-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO CC[C@@H]1C[C@H]1C[NH2+][C@@](C)(CO)C(=O)OC ZINC000930692585 639861888 /nfs/dbraw/zinc/86/18/88/639861888.db2.gz MHYHZAMRLSJWAH-YWVKMMECSA-N 1 2 215.293 0.546 20 0 BCADLO COC[C@@H](C[NH2+][C@@](C)(CO)C(=O)OC)C(C)C ZINC000930691690 639863291 /nfs/dbraw/zinc/86/32/91/639863291.db2.gz FENATXKFYXOYTL-PWSUYJOCSA-N 1 2 247.335 0.419 20 0 BCADLO C[C@@H](COCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911901774 639867482 /nfs/dbraw/zinc/86/74/82/639867482.db2.gz NFOGJUWWTOAKIN-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000911888660 639868272 /nfs/dbraw/zinc/86/82/72/639868272.db2.gz UZESRNAIHFWDSB-GXSJLCMTSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000911886317 639868372 /nfs/dbraw/zinc/86/83/72/639868372.db2.gz DJDJDLVHOQLBJP-BBBLOLIVSA-N 1 2 221.260 0.388 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ncccn1 ZINC000930703487 639869322 /nfs/dbraw/zinc/86/93/22/639869322.db2.gz ARLIACSRUKAWNY-KXUCPTDWSA-N 1 2 223.276 0.541 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000911888661 639869638 /nfs/dbraw/zinc/86/96/38/639869638.db2.gz UZESRNAIHFWDSB-KOLCDFICSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCC1(CO)CCC1 ZINC000911912882 639890667 /nfs/dbraw/zinc/89/06/67/639890667.db2.gz NFEGKAITOIPGFD-UHFFFAOYSA-N 1 2 237.303 0.621 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C)c1snnc1C ZINC000930819779 639921213 /nfs/dbraw/zinc/92/12/13/639921213.db2.gz JOPIKZLBILXLRP-MRVPVSSYSA-N 1 2 242.348 0.975 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C)c1snnc1C ZINC000930819779 639921218 /nfs/dbraw/zinc/92/12/18/639921218.db2.gz JOPIKZLBILXLRP-MRVPVSSYSA-N 1 2 242.348 0.975 20 0 BCADLO COC(C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C)OC ZINC000930835534 639934317 /nfs/dbraw/zinc/93/43/17/639934317.db2.gz BKRAFVMBUPVIGE-HRDYMLBCSA-N 1 2 230.308 0.203 20 0 BCADLO COC(C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C)OC ZINC000930835534 639934319 /nfs/dbraw/zinc/93/43/19/639934319.db2.gz BKRAFVMBUPVIGE-HRDYMLBCSA-N 1 2 230.308 0.203 20 0 BCADLO C[C@H]1CCCCN1NC(=O)Cc1c[nH+]cn1C ZINC000912146394 639972242 /nfs/dbraw/zinc/97/22/42/639972242.db2.gz WOQDGBPAQDXWMN-JTQLQIEISA-N 1 2 236.319 0.868 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)[C@H](C)O)n1 ZINC000930889108 639973025 /nfs/dbraw/zinc/97/30/25/639973025.db2.gz HJEOWMWPEGPFMI-ZKWXMUAHSA-N 1 2 229.280 0.113 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)[C@H](C)O)n1 ZINC000930889108 639973028 /nfs/dbraw/zinc/97/30/28/639973028.db2.gz HJEOWMWPEGPFMI-ZKWXMUAHSA-N 1 2 229.280 0.113 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nncs1 ZINC000931020816 640023349 /nfs/dbraw/zinc/02/33/49/640023349.db2.gz DFELUIREHDEZPY-JGVFFNPUSA-N 1 2 213.306 0.883 20 0 BCADLO CC[N@H+](C[C@H](O)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000930919215 639987921 /nfs/dbraw/zinc/98/79/21/639987921.db2.gz IXVOZPLDGHRSCB-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO CC[N@@H+](C[C@H](O)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000930919215 639987925 /nfs/dbraw/zinc/98/79/25/639987925.db2.gz IXVOZPLDGHRSCB-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H](CO)C1CCC1 ZINC000912297637 640018344 /nfs/dbraw/zinc/01/83/44/640018344.db2.gz SSGJYTZQNIBSBO-LLVKDONJSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(C)c(C(=O)N[C@H]2CCNC2=O)c(C)[nH+]1 ZINC000912277350 640021261 /nfs/dbraw/zinc/02/12/61/640021261.db2.gz BOYUCLPUUSIGCC-JTQLQIEISA-N 1 2 247.298 0.625 20 0 BCADLO COC/C(C)=C\C[N@H+](C)Cc1cn(C)nn1 ZINC000931015711 640022170 /nfs/dbraw/zinc/02/21/70/640022170.db2.gz HAYJVKRMTAHLFK-YHYXMXQVSA-N 1 2 224.308 0.840 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)Cc1cn(C)nn1 ZINC000931015711 640022174 /nfs/dbraw/zinc/02/21/74/640022174.db2.gz HAYJVKRMTAHLFK-YHYXMXQVSA-N 1 2 224.308 0.840 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC000931020815 640022656 /nfs/dbraw/zinc/02/26/56/640022656.db2.gz DFELUIREHDEZPY-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nncs1 ZINC000931020815 640022662 /nfs/dbraw/zinc/02/26/62/640022662.db2.gz DFELUIREHDEZPY-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC000931020816 640023343 /nfs/dbraw/zinc/02/33/43/640023343.db2.gz DFELUIREHDEZPY-JGVFFNPUSA-N 1 2 213.306 0.883 20 0 BCADLO CC[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000912463410 640070593 /nfs/dbraw/zinc/07/05/93/640070593.db2.gz XHMJPHNKHAIEBH-SECBINFHSA-N 1 2 223.276 0.381 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140303 640074888 /nfs/dbraw/zinc/07/48/88/640074888.db2.gz KNLQITKKYWBIPJ-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140303 640074896 /nfs/dbraw/zinc/07/48/96/640074896.db2.gz KNLQITKKYWBIPJ-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)on1 ZINC000931193607 640097657 /nfs/dbraw/zinc/09/76/57/640097657.db2.gz GJOXGJZZTOFWAE-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO Cc1cc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)on1 ZINC000931193607 640097661 /nfs/dbraw/zinc/09/76/61/640097661.db2.gz GJOXGJZZTOFWAE-UHFFFAOYSA-N 1 2 248.286 0.980 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000912517252 640105875 /nfs/dbraw/zinc/10/58/75/640105875.db2.gz VPTNEEBHKSKBGR-WDEREUQCSA-N 1 2 249.314 0.865 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235713 640108062 /nfs/dbraw/zinc/10/80/62/640108062.db2.gz GAQVUERDFQFQMX-WPRPVWTQSA-N 1 2 233.333 0.283 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235713 640108067 /nfs/dbraw/zinc/10/80/67/640108067.db2.gz GAQVUERDFQFQMX-WPRPVWTQSA-N 1 2 233.333 0.283 20 0 BCADLO C[N@H+](CCCCCCCO)C1CS(=O)(=O)C1 ZINC000931240245 640109591 /nfs/dbraw/zinc/10/95/91/640109591.db2.gz ILYHXACZBGZRCU-UHFFFAOYSA-N 1 2 249.376 0.658 20 0 BCADLO C[N@@H+](CCCCCCCO)C1CS(=O)(=O)C1 ZINC000931240245 640109597 /nfs/dbraw/zinc/10/95/97/640109597.db2.gz ILYHXACZBGZRCU-UHFFFAOYSA-N 1 2 249.376 0.658 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)CC1CC1 ZINC000912524187 640112477 /nfs/dbraw/zinc/11/24/77/640112477.db2.gz WYCLAEXEESZOJW-SNVBAGLBSA-N 1 2 237.303 0.477 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000931259816 640118187 /nfs/dbraw/zinc/11/81/87/640118187.db2.gz MKICXWGNSBPDPZ-JTQLQIEISA-N 1 2 243.282 0.981 20 0 BCADLO Cc1nnc(CC[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000931259816 640118192 /nfs/dbraw/zinc/11/81/92/640118192.db2.gz MKICXWGNSBPDPZ-JTQLQIEISA-N 1 2 243.282 0.981 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584579 640122116 /nfs/dbraw/zinc/12/21/16/640122116.db2.gz PZJSAEDZTVVYBJ-NGZCFLSTSA-N 1 2 237.303 0.851 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912613632 640136021 /nfs/dbraw/zinc/13/60/21/640136021.db2.gz DUSXLTTUWXIHFQ-VGANXODHSA-N 1 2 223.276 0.536 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613829 640136064 /nfs/dbraw/zinc/13/60/64/640136064.db2.gz DGZUKSMNJHMPMX-UMCURTJPSA-N 1 2 237.303 0.671 20 0 BCADLO C/C(Cl)=C/C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912611234 640137179 /nfs/dbraw/zinc/13/71/79/640137179.db2.gz ABIBBZGXMCHKJR-LSFDQVSLSA-N 1 2 243.694 0.712 20 0 BCADLO CC[C@@H](CO)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614616 640137940 /nfs/dbraw/zinc/13/79/40/640137940.db2.gz QIYQGMOKMQQVDX-JTQLQIEISA-N 1 2 239.319 0.753 20 0 BCADLO CC/C=C(/F)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912612781 640138175 /nfs/dbraw/zinc/13/81/75/640138175.db2.gz QZJIEYHJRCBAFY-VGANXODHSA-N 1 2 241.266 0.833 20 0 BCADLO C/C=C/C=C\C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912616259 640140117 /nfs/dbraw/zinc/14/01/17/640140117.db2.gz ZIHZWFZOLYDDGA-LLUULLFCSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000912680202 640163503 /nfs/dbraw/zinc/16/35/03/640163503.db2.gz LULLAMQSUULHHV-RKDXNWHRSA-N 1 2 205.261 0.821 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)[C@@H](CO)C2)c(C)n1 ZINC000931402683 640181315 /nfs/dbraw/zinc/18/13/15/640181315.db2.gz WVGQEOGGARWNBZ-CQSZACIVSA-N 1 2 249.358 0.807 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](CO)C2)c(C)n1 ZINC000931402683 640181321 /nfs/dbraw/zinc/18/13/21/640181321.db2.gz WVGQEOGGARWNBZ-CQSZACIVSA-N 1 2 249.358 0.807 20 0 BCADLO CC/C=C/CCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931401287 640183303 /nfs/dbraw/zinc/18/33/03/640183303.db2.gz IKHHMJSAPFCQIE-ITKZLYELSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C/CCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931401287 640183315 /nfs/dbraw/zinc/18/33/15/640183315.db2.gz IKHHMJSAPFCQIE-ITKZLYELSA-N 1 2 212.337 0.951 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740931 640189904 /nfs/dbraw/zinc/18/99/04/640189904.db2.gz GYSMPLJIHFALPF-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740931 640189911 /nfs/dbraw/zinc/18/99/11/640189911.db2.gz GYSMPLJIHFALPF-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCc1cnoc1 ZINC000912775776 640200867 /nfs/dbraw/zinc/20/08/67/640200867.db2.gz GTKNMSNYGRTFFC-UHFFFAOYSA-N 1 2 246.270 0.840 20 0 BCADLO CCNC(=O)C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456181 640211272 /nfs/dbraw/zinc/21/12/72/640211272.db2.gz SPHPEWVXLQLBGH-QMMMGPOBSA-N 1 2 222.292 0.465 20 0 BCADLO CCNC(=O)C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456181 640211277 /nfs/dbraw/zinc/21/12/77/640211277.db2.gz SPHPEWVXLQLBGH-QMMMGPOBSA-N 1 2 222.292 0.465 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931453814 640213787 /nfs/dbraw/zinc/21/37/87/640213787.db2.gz TVKUZTLRKXAWDC-DTWKUNHWSA-N 1 2 248.330 0.996 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931453814 640213796 /nfs/dbraw/zinc/21/37/96/640213796.db2.gz TVKUZTLRKXAWDC-DTWKUNHWSA-N 1 2 248.330 0.996 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458292 640215395 /nfs/dbraw/zinc/21/53/95/640215395.db2.gz HKDZONVKCLLVAY-VXNVDRBHSA-N 1 2 222.292 0.593 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458292 640215399 /nfs/dbraw/zinc/21/53/99/640215399.db2.gz HKDZONVKCLLVAY-VXNVDRBHSA-N 1 2 222.292 0.593 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457922 640216444 /nfs/dbraw/zinc/21/64/44/640216444.db2.gz CVGQAFYMEKXJKU-WPRPVWTQSA-N 1 2 234.303 0.560 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457922 640216451 /nfs/dbraw/zinc/21/64/51/640216451.db2.gz CVGQAFYMEKXJKU-WPRPVWTQSA-N 1 2 234.303 0.560 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458283 640218114 /nfs/dbraw/zinc/21/81/14/640218114.db2.gz HKDZONVKCLLVAY-APPZFPTMSA-N 1 2 222.292 0.593 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458283 640218119 /nfs/dbraw/zinc/21/81/19/640218119.db2.gz HKDZONVKCLLVAY-APPZFPTMSA-N 1 2 222.292 0.593 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)Cc2c[nH]nc21 ZINC000931461682 640218954 /nfs/dbraw/zinc/21/89/54/640218954.db2.gz XNACKNVSCZNDQS-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)Cc2c[nH]nc21 ZINC000931461682 640218959 /nfs/dbraw/zinc/21/89/59/640218959.db2.gz XNACKNVSCZNDQS-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cnns1 ZINC000931655085 640304785 /nfs/dbraw/zinc/30/47/85/640304785.db2.gz IMURVRCYPRKIJU-ZETCQYMHSA-N 1 2 226.305 0.152 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931677244 640309225 /nfs/dbraw/zinc/30/92/25/640309225.db2.gz ZYRVTLVQHLVZIG-UHFFFAOYSA-N 1 2 248.330 0.735 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931677244 640309229 /nfs/dbraw/zinc/30/92/29/640309229.db2.gz ZYRVTLVQHLVZIG-UHFFFAOYSA-N 1 2 248.330 0.735 20 0 BCADLO CN(C[C@H]1C[C@@H](O)C1)C(=O)CNc1cccc[nH+]1 ZINC000913175502 640319732 /nfs/dbraw/zinc/31/97/32/640319732.db2.gz OHKKETFKGPQVIB-PHIMTYICSA-N 1 2 249.314 0.723 20 0 BCADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC000931721603 640339788 /nfs/dbraw/zinc/33/97/88/640339788.db2.gz RNMCJSQACYQPGW-DTWKUNHWSA-N 1 2 237.307 0.179 20 0 BCADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC000931721603 640339794 /nfs/dbraw/zinc/33/97/94/640339794.db2.gz RNMCJSQACYQPGW-DTWKUNHWSA-N 1 2 237.307 0.179 20 0 BCADLO CC[C@H](CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000931766628 640359535 /nfs/dbraw/zinc/35/95/35/640359535.db2.gz IDTIWVGPVAVTSV-MRVPVSSYSA-N 1 2 211.265 0.808 20 0 BCADLO O=C(/C=C/C1CC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447722 640373749 /nfs/dbraw/zinc/37/37/49/640373749.db2.gz SRCQQWKJXBWPBQ-AAOUONPWSA-N 1 2 246.314 0.849 20 0 BCADLO CC[C@H](C)[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546042 640387777 /nfs/dbraw/zinc/38/77/77/640387777.db2.gz GHPVSCOGUIBNLH-SDDRHHMPSA-N 1 2 242.363 0.804 20 0 BCADLO CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546042 640387783 /nfs/dbraw/zinc/38/77/83/640387783.db2.gz GHPVSCOGUIBNLH-SDDRHHMPSA-N 1 2 242.363 0.804 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)nc1 ZINC000913547451 640388135 /nfs/dbraw/zinc/38/81/35/640388135.db2.gz OTSNIVCMSLLGMU-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)nc1 ZINC000913547451 640388142 /nfs/dbraw/zinc/38/81/42/640388142.db2.gz OTSNIVCMSLLGMU-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544832 640392161 /nfs/dbraw/zinc/39/21/61/640392161.db2.gz NLLZQAAUPZGJOG-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544832 640392164 /nfs/dbraw/zinc/39/21/64/640392164.db2.gz NLLZQAAUPZGJOG-UWVGGRQHSA-N 1 2 232.299 0.115 20 0 BCADLO O=C1NCCCC[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000054764426 640403879 /nfs/dbraw/zinc/40/38/79/640403879.db2.gz BSVXZIYJQSPBFW-SECBINFHSA-N 1 2 208.265 0.168 20 0 BCADLO Cn1ccc([C@H]2CCC[N@@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000932137297 640438971 /nfs/dbraw/zinc/43/89/71/640438971.db2.gz ZGBSZVGDMGTNTI-CMPLNLGQSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1ccc([C@H]2CCC[N@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000932137297 640438977 /nfs/dbraw/zinc/43/89/77/640438977.db2.gz ZGBSZVGDMGTNTI-CMPLNLGQSA-N 1 2 249.314 0.915 20 0 BCADLO CN1CC[C@@H]([NH2+][C@H](c2ncccn2)C2CC2)C1=O ZINC000932361159 640497845 /nfs/dbraw/zinc/49/78/45/640497845.db2.gz STMSYBRHUJETRR-MNOVXSKESA-N 1 2 246.314 0.748 20 0 BCADLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(C)C ZINC000932366938 640501655 /nfs/dbraw/zinc/50/16/55/640501655.db2.gz KFZZWKIIBLCGQO-ONGXEEELSA-N 1 2 248.330 0.994 20 0 BCADLO Cn1cc(CC[NH+]2CC(NC(=O)C3CC3)C2)cn1 ZINC001030040477 640532489 /nfs/dbraw/zinc/53/24/89/640532489.db2.gz TUUKWOGBJMXKMY-UHFFFAOYSA-N 1 2 248.330 0.173 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001030040630 640533456 /nfs/dbraw/zinc/53/34/56/640533456.db2.gz UVEJCHDEIVYHCK-CYBMUJFWSA-N 1 2 248.326 0.930 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030043243 640535267 /nfs/dbraw/zinc/53/52/67/640535267.db2.gz IFMPMYXTZKAQPG-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030043822 640538019 /nfs/dbraw/zinc/53/80/19/640538019.db2.gz YQVSWAHSJTYQKQ-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030043624 640538639 /nfs/dbraw/zinc/53/86/39/640538639.db2.gz PEQGNWJMCPWZHX-SECBINFHSA-N 1 2 226.320 0.622 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048597 640543351 /nfs/dbraw/zinc/54/33/51/640543351.db2.gz KDNGSCNZVUBVII-QMMMGPOBSA-N 1 2 232.299 0.570 20 0 BCADLO CC[C@H](C[NH+]1CC(NC(=O)C(C)(C)F)C1)OC ZINC001030048978 640545719 /nfs/dbraw/zinc/54/57/19/640545719.db2.gz VXTNXYZIHQZBRZ-SNVBAGLBSA-N 1 2 246.326 0.960 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCC(N)=O)s1 ZINC000932479662 640546958 /nfs/dbraw/zinc/54/69/58/640546958.db2.gz IJAQRGQXMIZGIP-UHFFFAOYSA-N 1 2 242.348 0.798 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCC(N)=O)s1 ZINC000932479662 640546959 /nfs/dbraw/zinc/54/69/59/640546959.db2.gz IJAQRGQXMIZGIP-UHFFFAOYSA-N 1 2 242.348 0.798 20 0 BCADLO C[C@H]1COC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000932489750 640554802 /nfs/dbraw/zinc/55/48/02/640554802.db2.gz SDYHMIICIIJAHR-WCBMZHEXSA-N 1 2 248.286 0.147 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cnccn1 ZINC001030062002 640561267 /nfs/dbraw/zinc/56/12/67/640561267.db2.gz LFWLXTVQQHPURV-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030069444 640577706 /nfs/dbraw/zinc/57/77/06/640577706.db2.gz IBWLCRKVHBNLMR-JOYOIKCWSA-N 1 2 248.330 0.377 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030077156 640579784 /nfs/dbraw/zinc/57/97/84/640579784.db2.gz YUWBVRSSRAVRJI-JQWIXIFHSA-N 1 2 248.330 0.340 20 0 BCADLO CC[C@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000932605011 640581756 /nfs/dbraw/zinc/58/17/56/640581756.db2.gz KRMZBYQZZNODAX-NSHDSACASA-N 1 2 208.261 0.911 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cc(C)no2)C1 ZINC001030098110 640591881 /nfs/dbraw/zinc/59/18/81/640591881.db2.gz GVXQEBDQYQWUFT-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030102966 640595204 /nfs/dbraw/zinc/59/52/04/640595204.db2.gz YLPFRMGRVUKFFT-SECBINFHSA-N 1 2 237.303 0.464 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000932647719 640598826 /nfs/dbraw/zinc/59/88/26/640598826.db2.gz JGFHHDZEEBNYCZ-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000932647719 640598830 /nfs/dbraw/zinc/59/88/30/640598830.db2.gz JGFHHDZEEBNYCZ-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932758980 640608358 /nfs/dbraw/zinc/60/83/58/640608358.db2.gz CUCOCDAGJWHOLP-UHFFFAOYSA-N 1 2 242.275 0.124 20 0 BCADLO CC[C@@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932827068 640613918 /nfs/dbraw/zinc/61/39/18/640613918.db2.gz SJNHXHRYMAFYFD-LLVKDONJSA-N 1 2 223.276 0.427 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932826339 640614673 /nfs/dbraw/zinc/61/46/73/640614673.db2.gz KPUNKYAOUAFHCL-NXEZZACHSA-N 1 2 221.260 0.301 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccn[nH]1 ZINC001030122986 640615608 /nfs/dbraw/zinc/61/56/08/640615608.db2.gz QTPLBIHVNTYILI-UHFFFAOYSA-N 1 2 226.255 0.183 20 0 BCADLO C[C@H]1C(=O)CCC[N@H+]1CCC(=O)N(C)C ZINC000932847903 640621544 /nfs/dbraw/zinc/62/15/44/640621544.db2.gz DHSWINRBLHJRNL-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO C[C@H]1C(=O)CCC[N@@H+]1CCC(=O)N(C)C ZINC000932847903 640621549 /nfs/dbraw/zinc/62/15/49/640621549.db2.gz DHSWINRBLHJRNL-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO C[C@@H]1C(=O)CCC[N@H+]1CCC(=O)N(C)C ZINC000932847899 640621745 /nfs/dbraw/zinc/62/17/45/640621745.db2.gz DHSWINRBLHJRNL-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO C[C@@H]1C(=O)CCC[N@@H+]1CCC(=O)N(C)C ZINC000932847899 640621748 /nfs/dbraw/zinc/62/17/48/640621748.db2.gz DHSWINRBLHJRNL-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030132446 640624305 /nfs/dbraw/zinc/62/43/05/640624305.db2.gz XQCGCLYHFAOBSM-UHFFFAOYSA-N 1 2 209.249 0.499 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030133844 640625289 /nfs/dbraw/zinc/62/52/89/640625289.db2.gz XRZILFNHFMIHSU-MRVPVSSYSA-N 1 2 239.275 0.124 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCOC2)C1 ZINC001030158527 640645809 /nfs/dbraw/zinc/64/58/09/640645809.db2.gz HOJYWVZESQQNLS-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO Cn1nccc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935594 640648220 /nfs/dbraw/zinc/64/82/20/640648220.db2.gz ARRQQMBHPPFIPJ-UHFFFAOYSA-N 1 2 234.303 0.402 20 0 BCADLO Cn1nccc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932935594 640648228 /nfs/dbraw/zinc/64/82/28/640648228.db2.gz ARRQQMBHPPFIPJ-UHFFFAOYSA-N 1 2 234.303 0.402 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000932969593 640656525 /nfs/dbraw/zinc/65/65/25/640656525.db2.gz MDALPLWKLZNWTP-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@H]2CON(CC)C2=O)C1 ZINC000932969593 640656529 /nfs/dbraw/zinc/65/65/29/640656529.db2.gz MDALPLWKLZNWTP-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCO[C@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000932972764 640658939 /nfs/dbraw/zinc/65/89/39/640658939.db2.gz IGTYJCGTTCKCIM-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO CCO[C@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000932972764 640658943 /nfs/dbraw/zinc/65/89/43/640658943.db2.gz IGTYJCGTTCKCIM-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO CC[NH+]1CC(NC(=O)c2oc(C)nc2C)C1 ZINC001030185391 640666593 /nfs/dbraw/zinc/66/65/93/640666593.db2.gz ZXWFJQPKRWSAMW-UHFFFAOYSA-N 1 2 223.276 0.725 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933201874 640679254 /nfs/dbraw/zinc/67/92/54/640679254.db2.gz FEQKYCRIIVXUAW-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933201874 640679261 /nfs/dbraw/zinc/67/92/61/640679261.db2.gz FEQKYCRIIVXUAW-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030205481 640680945 /nfs/dbraw/zinc/68/09/45/640680945.db2.gz FMGLPZTUCGHNSS-HWOCKDDLSA-N 1 2 226.320 0.214 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccnn1C ZINC000933214291 640682480 /nfs/dbraw/zinc/68/24/80/640682480.db2.gz CRGVUUKBWNXPGV-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccnn1C ZINC000933214291 640682483 /nfs/dbraw/zinc/68/24/83/640682483.db2.gz CRGVUUKBWNXPGV-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cc(C)ncn1 ZINC000933231947 640688305 /nfs/dbraw/zinc/68/83/05/640688305.db2.gz WGFMXOUMYBTELK-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(C)ncn1 ZINC000933231947 640688309 /nfs/dbraw/zinc/68/83/09/640688309.db2.gz WGFMXOUMYBTELK-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCCO2)C1 ZINC001030217611 640688846 /nfs/dbraw/zinc/68/88/46/640688846.db2.gz GGZMTTOUXBFEIT-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(=O)NC1CC1)C2 ZINC000933262954 640692217 /nfs/dbraw/zinc/69/22/17/640692217.db2.gz FWRGUZNPHLMTPY-UHFFFAOYSA-N 1 2 248.330 0.540 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1CCC(C)=O ZINC000933326335 640703410 /nfs/dbraw/zinc/70/34/10/640703410.db2.gz AJZNWQPAPSXXIG-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO COC[C@@H]1COCC[N@H+]1CCC(C)=O ZINC000933326335 640703414 /nfs/dbraw/zinc/70/34/14/640703414.db2.gz AJZNWQPAPSXXIG-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO CC[NH+]1CC(NC(=O)c2coc(C)n2)C1 ZINC001030245070 640703443 /nfs/dbraw/zinc/70/34/43/640703443.db2.gz FRECZIDRSWJIMK-UHFFFAOYSA-N 1 2 209.249 0.417 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2ccoc2)C1 ZINC001030244684 640704757 /nfs/dbraw/zinc/70/47/57/640704757.db2.gz UJRWOJSFMCFZPM-SECBINFHSA-N 1 2 238.287 0.003 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933321689 640705054 /nfs/dbraw/zinc/70/50/54/640705054.db2.gz CBFCEMRFFAQNPN-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933321689 640705059 /nfs/dbraw/zinc/70/50/59/640705059.db2.gz CBFCEMRFFAQNPN-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CCCO)C2)co1 ZINC001030248451 640707098 /nfs/dbraw/zinc/70/70/98/640707098.db2.gz YPFUWLRRPHMXAL-UHFFFAOYSA-N 1 2 238.287 0.384 20 0 BCADLO C[N@H+](CC(=O)NCC1CC1)Cc1cccc(=O)[nH]1 ZINC000933395455 640713872 /nfs/dbraw/zinc/71/38/72/640713872.db2.gz KWTIWUUEMBDEKQ-UHFFFAOYSA-N 1 2 249.314 0.745 20 0 BCADLO C[N@@H+](CC(=O)NCC1CC1)Cc1cccc(=O)[nH]1 ZINC000933395455 640713876 /nfs/dbraw/zinc/71/38/76/640713876.db2.gz KWTIWUUEMBDEKQ-UHFFFAOYSA-N 1 2 249.314 0.745 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001030271475 640720811 /nfs/dbraw/zinc/72/08/11/640720811.db2.gz FNKRNGYGZCJRBP-YEPSODPASA-N 1 2 248.273 0.069 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CC(C)(C)C2)C1 ZINC001030273149 640723336 /nfs/dbraw/zinc/72/33/36/640723336.db2.gz RIMNMXWPPLOZKC-UHFFFAOYSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538319 640723780 /nfs/dbraw/zinc/72/37/80/640723780.db2.gz HPOMMCHIRLZRCF-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538319 640723785 /nfs/dbraw/zinc/72/37/85/640723785.db2.gz HPOMMCHIRLZRCF-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030285831 640728668 /nfs/dbraw/zinc/72/86/68/640728668.db2.gz JIFBUGHKAZTYAJ-VXNVDRBHSA-N 1 2 248.273 0.477 20 0 BCADLO CC(C(=O)NC1C[NH+](CCCO)C1)=C1CCC1 ZINC001030288614 640733410 /nfs/dbraw/zinc/73/34/10/640733410.db2.gz GPILTXZYQCHJIJ-UHFFFAOYSA-N 1 2 238.331 0.670 20 0 BCADLO CC[N@H+](CCC(=O)NC)Cc1nncs1 ZINC000933859328 640773307 /nfs/dbraw/zinc/77/33/07/640773307.db2.gz MDTJRHVHQBKQDE-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO CC[N@@H+](CCC(=O)NC)Cc1nncs1 ZINC000933859328 640773310 /nfs/dbraw/zinc/77/33/10/640773310.db2.gz MDTJRHVHQBKQDE-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030349707 640781396 /nfs/dbraw/zinc/78/13/96/640781396.db2.gz HMBIDVJOPQRDEY-SECBINFHSA-N 1 2 226.320 0.622 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030353778 640784828 /nfs/dbraw/zinc/78/48/28/640784828.db2.gz SXCJBGCTFNHGSF-VIFPVBQESA-N 1 2 237.303 0.464 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934024738 640802120 /nfs/dbraw/zinc/80/21/20/640802120.db2.gz BCUVLVCAZNTMKN-VHSXEESVSA-N 1 2 214.309 0.214 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934024738 640802124 /nfs/dbraw/zinc/80/21/24/640802124.db2.gz BCUVLVCAZNTMKN-VHSXEESVSA-N 1 2 214.309 0.214 20 0 BCADLO OCC[C@H]([NH2+]Cc1c[nH]nn1)C1CCCC1 ZINC000934008918 640806963 /nfs/dbraw/zinc/80/69/63/640806963.db2.gz BDUGOOIDERSJAJ-NSHDSACASA-N 1 2 224.308 0.836 20 0 BCADLO OCC[C@H]([NH2+]Cc1cn[nH]n1)C1CCCC1 ZINC000934008918 640806967 /nfs/dbraw/zinc/80/69/67/640806967.db2.gz BDUGOOIDERSJAJ-NSHDSACASA-N 1 2 224.308 0.836 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn3ccncc23)C1 ZINC001030451058 640865156 /nfs/dbraw/zinc/86/51/56/640865156.db2.gz RIMRSZFLYMJYME-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001030553133 640909460 /nfs/dbraw/zinc/90/94/60/640909460.db2.gz SPHPRZBRRYRMPK-SNVBAGLBSA-N 1 2 248.330 0.266 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001030560777 640912203 /nfs/dbraw/zinc/91/22/03/640912203.db2.gz OBEAIXGQLMPLTO-DTWKUNHWSA-N 1 2 212.293 0.232 20 0 BCADLO CCOC(=O)/C=C/C[N@H+](C)CC(=O)N(C)C ZINC000087638692 640952677 /nfs/dbraw/zinc/95/26/77/640952677.db2.gz JXEPEAJLQBMNCN-VOTSOKGWSA-N 1 2 228.292 0.126 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+](C)CC(=O)N(C)C ZINC000087638692 640952681 /nfs/dbraw/zinc/95/26/81/640952681.db2.gz JXEPEAJLQBMNCN-VOTSOKGWSA-N 1 2 228.292 0.126 20 0 BCADLO CNc1cc(NC[C@H](O)C(C)C)[nH+]cn1 ZINC000230059523 641012805 /nfs/dbraw/zinc/01/28/05/641012805.db2.gz IFJZJWLDCBFXKV-QMMMGPOBSA-N 1 2 210.281 0.947 20 0 BCADLO CNc1cc(N2CCOC[C@H]2C)nc[nH+]1 ZINC000087812294 641050871 /nfs/dbraw/zinc/05/08/71/641050871.db2.gz HMNAOAHZANIIOB-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CCOC[C@H]2C)[nH+]cn1 ZINC000087812294 641050874 /nfs/dbraw/zinc/05/08/74/641050874.db2.gz HMNAOAHZANIIOB-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CCOC[C@@H]2C)nc[nH+]1 ZINC000087812296 641051129 /nfs/dbraw/zinc/05/11/29/641051129.db2.gz HMNAOAHZANIIOB-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CCOC[C@@H]2C)[nH+]cn1 ZINC000087812296 641051134 /nfs/dbraw/zinc/05/11/34/641051134.db2.gz HMNAOAHZANIIOB-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CCCNc1cc(N(C)CC(N)=O)nc[nH+]1 ZINC000087810501 641052502 /nfs/dbraw/zinc/05/25/02/641052502.db2.gz JHUWKOQMRYRANA-UHFFFAOYSA-N 1 2 223.280 0.220 20 0 BCADLO CCCNc1cc(N(C)CC(N)=O)[nH+]cn1 ZINC000087810501 641052504 /nfs/dbraw/zinc/05/25/04/641052504.db2.gz JHUWKOQMRYRANA-UHFFFAOYSA-N 1 2 223.280 0.220 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000934111762 641073323 /nfs/dbraw/zinc/07/33/23/641073323.db2.gz OPLBOQABPPQAGB-VHSXEESVSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000934111762 641073328 /nfs/dbraw/zinc/07/33/28/641073328.db2.gz OPLBOQABPPQAGB-VHSXEESVSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1nncn1C ZINC000934112999 641078238 /nfs/dbraw/zinc/07/82/38/641078238.db2.gz YBAMPQGVZHTOJE-IVZWLZJFSA-N 1 2 224.308 0.985 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1nncn1C ZINC000934112999 641078242 /nfs/dbraw/zinc/07/82/42/641078242.db2.gz YBAMPQGVZHTOJE-IVZWLZJFSA-N 1 2 224.308 0.985 20 0 BCADLO COc1c(N)[nH+]cnc1NCCc1ccnn1C ZINC000230866224 641112031 /nfs/dbraw/zinc/11/20/31/641112031.db2.gz CVIUGERHHIWJDY-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO COc1c(N)nc[nH+]c1NCCc1ccnn1C ZINC000230866224 641112037 /nfs/dbraw/zinc/11/20/37/641112037.db2.gz CVIUGERHHIWJDY-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO CNC(=O)[C@]1(C)CCN(c2cc(NC)[nH+]cn2)C1 ZINC000230921931 641113477 /nfs/dbraw/zinc/11/34/77/641113477.db2.gz POLKBHLUBIAMPY-GFCCVEGCSA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)[C@]1(C)CCN(c2cc(NC)nc[nH+]2)C1 ZINC000230921931 641113480 /nfs/dbraw/zinc/11/34/80/641113480.db2.gz POLKBHLUBIAMPY-GFCCVEGCSA-N 1 2 249.318 0.481 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@@H]1CCOC12CCCC2 ZINC000934393611 641141195 /nfs/dbraw/zinc/14/11/95/641141195.db2.gz ZIROJABEZJUCAG-NXEZZACHSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934405095 641141325 /nfs/dbraw/zinc/14/13/25/641141325.db2.gz GYUPUOVLBFTFGS-VHSXEESVSA-N 1 2 243.303 0.476 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934485111 641169822 /nfs/dbraw/zinc/16/98/22/641169822.db2.gz YTSPQDVJXLVIRC-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934485111 641169832 /nfs/dbraw/zinc/16/98/32/641169832.db2.gz YTSPQDVJXLVIRC-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000932974863 641172462 /nfs/dbraw/zinc/17/24/62/641172462.db2.gz YZRKYJMATNDIRH-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000932974863 641172466 /nfs/dbraw/zinc/17/24/66/641172466.db2.gz YZRKYJMATNDIRH-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934565104 641196004 /nfs/dbraw/zinc/19/60/04/641196004.db2.gz AKKFALFDSCBYGT-UWVGGRQHSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934565104 641196013 /nfs/dbraw/zinc/19/60/13/641196013.db2.gz AKKFALFDSCBYGT-UWVGGRQHSA-N 1 2 233.283 0.734 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1F ZINC000934575430 641206461 /nfs/dbraw/zinc/20/64/61/641206461.db2.gz NJSFSBPJCDAHOX-SDDRHHMPSA-N 1 2 247.310 0.587 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1F ZINC000934575430 641206476 /nfs/dbraw/zinc/20/64/76/641206476.db2.gz NJSFSBPJCDAHOX-SDDRHHMPSA-N 1 2 247.310 0.587 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030699944 641284263 /nfs/dbraw/zinc/28/42/63/641284263.db2.gz QJDNPPFJMJPMJL-MWLCHTKSSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001030701541 641287965 /nfs/dbraw/zinc/28/79/65/641287965.db2.gz VASWUXYROKLAEE-PSASIEDQSA-N 1 2 212.293 0.232 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)[C@@H](C)O)C(C)C ZINC000929464257 641326572 /nfs/dbraw/zinc/32/65/72/641326572.db2.gz MFXQZLMEONIOCC-ZJUUUORDSA-N 1 2 233.308 0.002 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)[C@@H](C)O)C(C)C ZINC000929464257 641326576 /nfs/dbraw/zinc/32/65/76/641326576.db2.gz MFXQZLMEONIOCC-ZJUUUORDSA-N 1 2 233.308 0.002 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)[C@H](C)O)C(C)C ZINC000929464255 641326760 /nfs/dbraw/zinc/32/67/60/641326760.db2.gz MFXQZLMEONIOCC-UWVGGRQHSA-N 1 2 233.308 0.002 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)[C@H](C)O)C(C)C ZINC000929464255 641326763 /nfs/dbraw/zinc/32/67/63/641326763.db2.gz MFXQZLMEONIOCC-UWVGGRQHSA-N 1 2 233.308 0.002 20 0 BCADLO CC[NH+]1CC(NC(=O)c2coc(OC)n2)C1 ZINC001030751319 641334099 /nfs/dbraw/zinc/33/40/99/641334099.db2.gz XPFOHTVEPAEVOJ-UHFFFAOYSA-N 1 2 225.248 0.117 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757562 641336170 /nfs/dbraw/zinc/33/61/70/641336170.db2.gz XHLCCQFFKYCRLS-SNVBAGLBSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)Cc2c[nH]nc21 ZINC000913584922 641348512 /nfs/dbraw/zinc/34/85/12/641348512.db2.gz PVLFBDFXRBZYGN-MRVPVSSYSA-N 1 2 245.286 0.821 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cc(=O)cc[nH]1 ZINC000935329546 641387957 /nfs/dbraw/zinc/38/79/57/641387957.db2.gz QJKDTVQVGDZKLD-UHFFFAOYSA-N 1 2 246.270 0.081 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C(\C)COC ZINC000929683249 641394642 /nfs/dbraw/zinc/39/46/42/641394642.db2.gz NXGMOVJBLIOQOR-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(\C)COC ZINC000929683249 641394652 /nfs/dbraw/zinc/39/46/52/641394652.db2.gz NXGMOVJBLIOQOR-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1Cc2ccccc21 ZINC001030880948 641399065 /nfs/dbraw/zinc/39/90/65/641399065.db2.gz JEGKUDGJVMGHDH-CYBMUJFWSA-N 1 2 246.310 0.119 20 0 BCADLO CC(C)OCc1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000929706099 641410306 /nfs/dbraw/zinc/41/03/06/641410306.db2.gz KKWNQMCJAWCIAQ-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO CC(C)OCc1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000929706099 641410309 /nfs/dbraw/zinc/41/03/09/641410309.db2.gz KKWNQMCJAWCIAQ-SECBINFHSA-N 1 2 243.307 0.807 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2n[nH]cc2F)C1 ZINC001030912763 641418705 /nfs/dbraw/zinc/41/87/05/641418705.db2.gz GUWWCKNKEKLVJK-UHFFFAOYSA-N 1 2 226.255 0.371 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001030918838 641422854 /nfs/dbraw/zinc/42/28/54/641422854.db2.gz QDFUDXTVZCHPIE-KOLCDFICSA-N 1 2 226.320 0.479 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001030922868 641423468 /nfs/dbraw/zinc/42/34/68/641423468.db2.gz PHXYSYNYHUDFCT-KOLCDFICSA-N 1 2 226.320 0.622 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030921147 641423561 /nfs/dbraw/zinc/42/35/61/641423561.db2.gz BCURSGITVQHDEL-ZYHUDNBSSA-N 1 2 240.347 0.605 20 0 BCADLO CCOc1cc(C(=O)NC2C[NH+](CC)C2)ccn1 ZINC001030930462 641444269 /nfs/dbraw/zinc/44/42/69/641444269.db2.gz AMEZPKNKRKOGRH-UHFFFAOYSA-N 1 2 249.314 0.914 20 0 BCADLO CC[C@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913666677 641452532 /nfs/dbraw/zinc/45/25/32/641452532.db2.gz HGRGTIOECCRWFQ-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913666676 641453124 /nfs/dbraw/zinc/45/31/24/641453124.db2.gz HGRGTIOECCRWFQ-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCn2nccc21 ZINC000913781707 641471787 /nfs/dbraw/zinc/47/17/87/641471787.db2.gz XHCSFTIYTXKELV-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1OCC2 ZINC000913776580 641473158 /nfs/dbraw/zinc/47/31/58/641473158.db2.gz SMWBDQJAXTXWTG-PWSUYJOCSA-N 1 2 235.287 0.780 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)O[C@@H]1CCOC1 ZINC000913825321 641489118 /nfs/dbraw/zinc/48/91/18/641489118.db2.gz XJBHRJIXHKXSAX-SNVBAGLBSA-N 1 2 239.275 0.788 20 0 BCADLO Cc1ncoc1CNC(=O)NCCn1cc[nH+]c1 ZINC000913899941 641515706 /nfs/dbraw/zinc/51/57/06/641515706.db2.gz KLHLTHNNROYMFH-UHFFFAOYSA-N 1 2 249.274 0.679 20 0 BCADLO Cc1nnn(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000914022739 641550865 /nfs/dbraw/zinc/55/08/65/641550865.db2.gz CLMFCXNPOKUDRG-UHFFFAOYSA-N 1 2 234.263 0.321 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCF)C2)O1 ZINC001030982221 641562951 /nfs/dbraw/zinc/56/29/51/641562951.db2.gz MFSKNXZMUKRMQB-MWLCHTKSSA-N 1 2 244.310 0.714 20 0 BCADLO Cc1cccc(C)c1C(=O)NC1C[NH+](CCO)C1 ZINC001030999390 641574724 /nfs/dbraw/zinc/57/47/24/641574724.db2.gz OZDMIYFFHOKOTP-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCn2nc(C)nc2C1 ZINC000929794590 641579349 /nfs/dbraw/zinc/57/93/49/641579349.db2.gz IYTSDFPPUVRXJQ-ONNFQVAWSA-N 1 2 236.319 0.995 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCn2nc(C)nc2C1 ZINC000929794590 641579351 /nfs/dbraw/zinc/57/93/51/641579351.db2.gz IYTSDFPPUVRXJQ-ONNFQVAWSA-N 1 2 236.319 0.995 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)F)[C@@H](C)[NH+]1CCOCC1 ZINC000156089223 641593738 /nfs/dbraw/zinc/59/37/38/641593738.db2.gz ZOIMLYWROPIMKO-NXEZZACHSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031022383 641600564 /nfs/dbraw/zinc/60/05/64/641600564.db2.gz DIZVZPUPCQEBIF-GXSJLCMTSA-N 1 2 238.331 0.358 20 0 BCADLO CCC[NH2+][C@@](C)(Cn1cccn1)C(=O)OC ZINC000045435106 641612821 /nfs/dbraw/zinc/61/28/21/641612821.db2.gz CKLMXDOQAAGPDZ-NSHDSACASA-N 1 2 225.292 0.814 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031044153 641640237 /nfs/dbraw/zinc/64/02/37/641640237.db2.gz PHGNZBLGYNMXFG-QWRGUYRKSA-N 1 2 240.347 0.605 20 0 BCADLO CN(C)c1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cc1 ZINC000031992718 641705022 /nfs/dbraw/zinc/70/50/22/641705022.db2.gz XSEXDWWPGKBIAO-JTQLQIEISA-N 1 2 233.271 0.343 20 0 BCADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000049392767 641717210 /nfs/dbraw/zinc/71/72/10/641717210.db2.gz PKMGCHJJCVPDAP-QMMMGPOBSA-N 1 2 237.259 0.900 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000049392767 641717214 /nfs/dbraw/zinc/71/72/14/641717214.db2.gz PKMGCHJJCVPDAP-QMMMGPOBSA-N 1 2 237.259 0.900 20 0 BCADLO CCc1cc(C(=O)NC2C[NH+](CC)C2)n(C)n1 ZINC001031141798 641732265 /nfs/dbraw/zinc/73/22/65/641732265.db2.gz ZBTBXWGFPHKVBI-UHFFFAOYSA-N 1 2 236.319 0.416 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(OC(C)=O)CC1 ZINC000153287685 641745051 /nfs/dbraw/zinc/74/50/51/641745051.db2.gz UYKWEESAYNDBLK-SECBINFHSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(OC(C)=O)CC1 ZINC000153287800 641745449 /nfs/dbraw/zinc/74/54/49/641745449.db2.gz UYKWEESAYNDBLK-VIFPVBQESA-N 1 2 243.303 0.966 20 0 BCADLO CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC1 ZINC000188356009 641755164 /nfs/dbraw/zinc/75/51/64/641755164.db2.gz COHHVIFDAHANJB-UHFFFAOYSA-N 1 2 234.303 0.680 20 0 BCADLO CC(C)[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031169199 641765128 /nfs/dbraw/zinc/76/51/28/641765128.db2.gz ABAVFLKVRJRCFW-NEPJUHHUSA-N 1 2 240.347 0.461 20 0 BCADLO COC(=O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000153388398 641774716 /nfs/dbraw/zinc/77/47/16/641774716.db2.gz CWUBNJWENKXBFX-UHFFFAOYSA-N 1 2 215.249 0.187 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@H](C)C2)C1 ZINC000189125841 641789995 /nfs/dbraw/zinc/78/99/95/641789995.db2.gz MJRFYQDEBVRVDR-NXEZZACHSA-N 1 2 244.360 0.629 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCS[C@H](C)C2)C1 ZINC000189125841 641789999 /nfs/dbraw/zinc/78/99/99/641789999.db2.gz MJRFYQDEBVRVDR-NXEZZACHSA-N 1 2 244.360 0.629 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000190020751 641829687 /nfs/dbraw/zinc/82/96/87/641829687.db2.gz LZEYTHYWMZQAHR-UHFFFAOYSA-N 1 2 249.376 0.516 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000190020751 641829693 /nfs/dbraw/zinc/82/96/93/641829693.db2.gz LZEYTHYWMZQAHR-UHFFFAOYSA-N 1 2 249.376 0.516 20 0 BCADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)C1CCCC1 ZINC001031237051 641836063 /nfs/dbraw/zinc/83/60/63/641836063.db2.gz QRSMSBCWRGPURX-JTQLQIEISA-N 1 2 240.347 0.605 20 0 BCADLO CCN(C(=O)C1CCC1)C1C[NH+](CCO)C1 ZINC000949555157 641842346 /nfs/dbraw/zinc/84/23/46/641842346.db2.gz CNBDURFYUYDQDR-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001031241058 641842833 /nfs/dbraw/zinc/84/28/33/641842833.db2.gz KHTYTWRWYGHVBE-UHFFFAOYSA-N 1 2 233.315 0.937 20 0 BCADLO CCN(C(=O)C1CCCC1)C1C[NH+](CCO)C1 ZINC000949557442 641842889 /nfs/dbraw/zinc/84/28/89/641842889.db2.gz MPWBTWYBDJNAKS-UHFFFAOYSA-N 1 2 240.347 0.702 20 0 BCADLO CCN(C(=O)c1cc(C)ncn1)C1C[NH+](CC)C1 ZINC000949909446 641873580 /nfs/dbraw/zinc/87/35/80/641873580.db2.gz SDEVACQUWIDIDE-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO COCC[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031291934 641874511 /nfs/dbraw/zinc/87/45/11/641874511.db2.gz BJSDOAUZTGEUEZ-UHFFFAOYSA-N 1 2 214.309 0.479 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCCO)C2)cc1 ZINC001031299679 641874938 /nfs/dbraw/zinc/87/49/38/641874938.db2.gz CNRRLGLPMJYSNB-UHFFFAOYSA-N 1 2 248.326 0.791 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cc1 ZINC001031300454 641875061 /nfs/dbraw/zinc/87/50/61/641875061.db2.gz IUHWDIATAZRJCY-LLVKDONJSA-N 1 2 248.326 0.790 20 0 BCADLO CCN(C(=O)c1cnnc(C)c1)C1C[NH+](CC)C1 ZINC000949970739 641878166 /nfs/dbraw/zinc/87/81/66/641878166.db2.gz QOFRALDURGLVQQ-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CCN(C(=O)c1ncc[nH]1)C1C[NH+](CC)C1 ZINC000950026123 641883796 /nfs/dbraw/zinc/88/37/96/641883796.db2.gz MMGKZLRJDVBEEQ-UHFFFAOYSA-N 1 2 222.292 0.576 20 0 BCADLO Cc1ccc(C)c(C(=O)NC2C[NH+](CCO)C2)c1 ZINC001031308010 641884569 /nfs/dbraw/zinc/88/45/69/641884569.db2.gz JBAZSJFCPKNZPP-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO CNC(=O)C1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000130444997 641885272 /nfs/dbraw/zinc/88/52/72/641885272.db2.gz CDPZYAVJBGUPOP-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO CNC(=O)C1CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000130444997 641885277 /nfs/dbraw/zinc/88/52/77/641885277.db2.gz CDPZYAVJBGUPOP-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO Cn1ccnc1SCC[NH+]1CCOCC1 ZINC000078291947 641910693 /nfs/dbraw/zinc/91/06/93/641910693.db2.gz XMNKUDRDEPZWND-UHFFFAOYSA-N 1 2 227.333 0.844 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001031376679 642036883 /nfs/dbraw/zinc/03/68/83/642036883.db2.gz CSTWPTKESLPNGJ-UHFFFAOYSA-N 1 2 247.298 0.219 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000352149783 642116557 /nfs/dbraw/zinc/11/65/57/642116557.db2.gz JEZWDGOIDATDCH-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000352149783 642116558 /nfs/dbraw/zinc/11/65/58/642116558.db2.gz JEZWDGOIDATDCH-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000352149781 642116907 /nfs/dbraw/zinc/11/69/07/642116907.db2.gz JEZWDGOIDATDCH-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC000352149781 642116912 /nfs/dbraw/zinc/11/69/12/642116912.db2.gz JEZWDGOIDATDCH-JTQLQIEISA-N 1 2 220.276 0.187 20 0 BCADLO O=C(NC1CC([NH+]2CCOCC2)C1)OCCF ZINC000918276903 642181381 /nfs/dbraw/zinc/18/13/81/642181381.db2.gz OVQAODVIEYZHRC-UHFFFAOYSA-N 1 2 246.282 0.545 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001031495728 642225978 /nfs/dbraw/zinc/22/59/78/642225978.db2.gz LZDLRGFAFLXANK-SNVBAGLBSA-N 1 2 240.347 0.869 20 0 BCADLO COc1ncccc1C[NH+]1CC(CNC(C)=O)C1 ZINC001031503083 642237885 /nfs/dbraw/zinc/23/78/85/642237885.db2.gz VODFBJZUOKTZII-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO Cn1cccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031553072 642297919 /nfs/dbraw/zinc/29/79/19/642297919.db2.gz VEAARHOCYJOWLC-UHFFFAOYSA-N 1 2 239.294 0.656 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cnsn1 ZINC001031562798 642307690 /nfs/dbraw/zinc/30/76/90/642307690.db2.gz NJGBYPANUDESAG-UHFFFAOYSA-N 1 2 244.295 0.169 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031566987 642314378 /nfs/dbraw/zinc/31/43/78/642314378.db2.gz WXRSCIPWXPEECV-MNOVXSKESA-N 1 2 244.310 0.429 20 0 BCADLO CONC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177913437 642326751 /nfs/dbraw/zinc/32/67/51/642326751.db2.gz YAGXAYRGXLTPPR-UHFFFAOYSA-N 1 2 220.232 0.695 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1=COCCC1 ZINC001031576793 642329929 /nfs/dbraw/zinc/32/99/29/642329929.db2.gz KVUOOXHJMZUJCK-UHFFFAOYSA-N 1 2 242.294 0.698 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@@H](O)[C@@H](C)O)C2 ZINC000933255623 642424261 /nfs/dbraw/zinc/42/42/61/642424261.db2.gz NJIOYMAKRYLOQP-BXKDBHETSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)[C@@H](C)O)C2 ZINC000933255623 642424267 /nfs/dbraw/zinc/42/42/67/642424267.db2.gz NJIOYMAKRYLOQP-BXKDBHETSA-N 1 2 239.319 0.003 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1=NCCS1 ZINC000921060746 642576241 /nfs/dbraw/zinc/57/62/41/642576241.db2.gz VNMNUZLWOPFADV-UHFFFAOYSA-N 1 2 238.316 0.882 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)N1CCCCC1 ZINC000921415962 642616514 /nfs/dbraw/zinc/61/65/14/642616514.db2.gz XOXZPLPCSXDEHL-SNVBAGLBSA-N 1 2 247.364 0.011 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)N1CCCCC1 ZINC000921415962 642616521 /nfs/dbraw/zinc/61/65/21/642616521.db2.gz XOXZPLPCSXDEHL-SNVBAGLBSA-N 1 2 247.364 0.011 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC ZINC000921433359 642624168 /nfs/dbraw/zinc/62/41/68/642624168.db2.gz MRSACEFEWJLHCJ-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO Cn1c(CO)nn(C[N@H+](C)CC2CC2)c1=S ZINC000305104234 642642675 /nfs/dbraw/zinc/64/26/75/642642675.db2.gz DBTUUZVMEHSMOP-UHFFFAOYSA-N 1 2 242.348 0.743 20 0 BCADLO Cn1c(CO)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000305104234 642642690 /nfs/dbraw/zinc/64/26/90/642642690.db2.gz DBTUUZVMEHSMOP-UHFFFAOYSA-N 1 2 242.348 0.743 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000965965345 642779171 /nfs/dbraw/zinc/77/91/71/642779171.db2.gz WCDZXJOFSGOAJA-SECBINFHSA-N 1 2 238.291 0.479 20 0 BCADLO CCNS(=O)(=O)CC[NH2+]Cc1cscn1 ZINC000068980763 642817287 /nfs/dbraw/zinc/81/72/87/642817287.db2.gz CQVFWBADLSTTMZ-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001009784374 642839358 /nfs/dbraw/zinc/83/93/58/642839358.db2.gz CDLFKXJOEFXTMM-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001009784374 642839363 /nfs/dbraw/zinc/83/93/63/642839363.db2.gz CDLFKXJOEFXTMM-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccccn1 ZINC001009901700 642846772 /nfs/dbraw/zinc/84/67/72/642846772.db2.gz LHWIRHVLFJUPDT-SNVBAGLBSA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccccn1 ZINC001009901700 642846777 /nfs/dbraw/zinc/84/67/77/642846777.db2.gz LHWIRHVLFJUPDT-SNVBAGLBSA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCO1 ZINC001010036081 642848380 /nfs/dbraw/zinc/84/83/80/642848380.db2.gz CZZNHZWNGPAOSC-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCCO1 ZINC001010036081 642848383 /nfs/dbraw/zinc/84/83/83/642848383.db2.gz CZZNHZWNGPAOSC-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CCF)C2)CO1 ZINC001031787646 642848948 /nfs/dbraw/zinc/84/89/48/642848948.db2.gz FESVAVPXXJTBBI-KOLCDFICSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCO1 ZINC001010036079 642849806 /nfs/dbraw/zinc/84/98/06/642849806.db2.gz CZZNHZWNGPAOSC-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCCO1 ZINC001010036079 642849810 /nfs/dbraw/zinc/84/98/10/642849810.db2.gz CZZNHZWNGPAOSC-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000181470607 642874980 /nfs/dbraw/zinc/87/49/80/642874980.db2.gz UITSWZFDGCPWDA-LLVKDONJSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000181470607 642874986 /nfs/dbraw/zinc/87/49/86/642874986.db2.gz UITSWZFDGCPWDA-LLVKDONJSA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000181464665 642875828 /nfs/dbraw/zinc/87/58/28/642875828.db2.gz DLWDLVWVAPABJI-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000181464665 642875830 /nfs/dbraw/zinc/87/58/30/642875830.db2.gz DLWDLVWVAPABJI-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031860783 642899819 /nfs/dbraw/zinc/89/98/19/642899819.db2.gz WBQCETWCOZPQRT-GXSJLCMTSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@]1(F)CCOC1 ZINC001015612963 642913510 /nfs/dbraw/zinc/91/35/10/642913510.db2.gz UNOACZNALGUEHZ-MWLCHTKSSA-N 1 2 248.273 0.275 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@]1(F)CCOC1 ZINC001015612963 642913526 /nfs/dbraw/zinc/91/35/26/642913526.db2.gz UNOACZNALGUEHZ-MWLCHTKSSA-N 1 2 248.273 0.275 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001015870896 642938424 /nfs/dbraw/zinc/93/84/24/642938424.db2.gz CHBKARPXBXMEJB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001015870896 642938431 /nfs/dbraw/zinc/93/84/31/642938431.db2.gz CHBKARPXBXMEJB-JTQLQIEISA-N 1 2 249.318 0.575 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cccnn1 ZINC001015888561 642943462 /nfs/dbraw/zinc/94/34/62/642943462.db2.gz DGUKQLFZWRTRAO-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cccnn1 ZINC001015888561 642943473 /nfs/dbraw/zinc/94/34/73/642943473.db2.gz DGUKQLFZWRTRAO-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](CC2OCCO2)C1 ZINC000182412668 643015193 /nfs/dbraw/zinc/01/51/93/643015193.db2.gz UDKHBXDVRBISBP-QMMMGPOBSA-N 1 2 241.209 0.358 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](CC2OCCO2)C1 ZINC000182412668 643015203 /nfs/dbraw/zinc/01/52/03/643015203.db2.gz UDKHBXDVRBISBP-QMMMGPOBSA-N 1 2 241.209 0.358 20 0 BCADLO CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001019904744 643045927 /nfs/dbraw/zinc/04/59/27/643045927.db2.gz CFNXMDKSJKSKBQ-JUWDTYFHSA-N 1 2 238.291 0.696 20 0 BCADLO CC(=O)N[C@@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC000969175788 643094412 /nfs/dbraw/zinc/09/44/12/643094412.db2.gz DGICYDMGFMEYOX-VIFPVBQESA-N 1 2 237.303 0.939 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338770 643139008 /nfs/dbraw/zinc/13/90/08/643139008.db2.gz GJZMODGNWDPSTG-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338770 643139013 /nfs/dbraw/zinc/13/90/13/643139013.db2.gz GJZMODGNWDPSTG-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1CCC(C)(C)O1 ZINC000184675403 643228084 /nfs/dbraw/zinc/22/80/84/643228084.db2.gz JSSJJYQQZBTABD-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC(C)(C)O1 ZINC000184675403 643228094 /nfs/dbraw/zinc/22/80/94/643228094.db2.gz JSSJJYQQZBTABD-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1nccs1 ZINC001032068271 643229231 /nfs/dbraw/zinc/22/92/31/643229231.db2.gz BVBNBQTZGLYVNQ-UHFFFAOYSA-N 1 2 243.307 0.774 20 0 BCADLO O=S1CC[NH+](CCCCCCO)CC1 ZINC000175771294 643233774 /nfs/dbraw/zinc/23/37/74/643233774.db2.gz FTZJZCSIOAWICO-UHFFFAOYSA-N 1 2 219.350 0.603 20 0 BCADLO CCOC(C[N@H+](C)CC(=O)NC)OCC ZINC000082486222 643322290 /nfs/dbraw/zinc/32/22/90/643322290.db2.gz BAPBUWCUNSXFPH-UHFFFAOYSA-N 1 2 218.297 0.063 20 0 BCADLO CCOC(C[N@@H+](C)CC(=O)NC)OCC ZINC000082486222 643322296 /nfs/dbraw/zinc/32/22/96/643322296.db2.gz BAPBUWCUNSXFPH-UHFFFAOYSA-N 1 2 218.297 0.063 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000091513684 643330404 /nfs/dbraw/zinc/33/04/04/643330404.db2.gz MZEGTRDTCLOTLH-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000091513684 643330407 /nfs/dbraw/zinc/33/04/07/643330407.db2.gz MZEGTRDTCLOTLH-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000082669180 643364920 /nfs/dbraw/zinc/36/49/20/643364920.db2.gz FGXJTKXXOUTQCI-JTQLQIEISA-N 1 2 222.292 0.476 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000932645326 643389025 /nfs/dbraw/zinc/38/90/25/643389025.db2.gz AARUWPNMKLRZLT-RKDXNWHRSA-N 1 2 227.260 0.187 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000932645326 643389031 /nfs/dbraw/zinc/38/90/31/643389031.db2.gz AARUWPNMKLRZLT-RKDXNWHRSA-N 1 2 227.260 0.187 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cnccn1 ZINC001032240618 643391072 /nfs/dbraw/zinc/39/10/72/643391072.db2.gz ZFHVCECKZSXOKK-USWWRNFRSA-N 1 2 246.314 0.843 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cnccn1 ZINC001032240618 643391075 /nfs/dbraw/zinc/39/10/75/643391075.db2.gz ZFHVCECKZSXOKK-USWWRNFRSA-N 1 2 246.314 0.843 20 0 BCADLO O=C(NCC[N@H+]1CC=CCC1)C(F)(F)F ZINC000307003406 643393962 /nfs/dbraw/zinc/39/39/62/643393962.db2.gz DGQSBYZRUYHRPC-UHFFFAOYSA-N 1 2 222.210 0.927 20 0 BCADLO O=C(NCC[N@@H+]1CC=CCC1)C(F)(F)F ZINC000307003406 643393968 /nfs/dbraw/zinc/39/39/68/643393968.db2.gz DGQSBYZRUYHRPC-UHFFFAOYSA-N 1 2 222.210 0.927 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443099 643452957 /nfs/dbraw/zinc/45/29/57/643452957.db2.gz BJBUENQVJUHLND-VIFPVBQESA-N 1 2 237.307 0.248 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000307475807 643484028 /nfs/dbraw/zinc/48/40/28/643484028.db2.gz UJQRILOWMFSIJP-SFYZADRCSA-N 1 2 201.291 0.645 20 0 BCADLO O=C(c1cnsn1)N1CC(n2cc[nH+]c2)C1 ZINC000733983634 643485546 /nfs/dbraw/zinc/48/55/46/643485546.db2.gz NVJVQIJTCVPNRL-UHFFFAOYSA-N 1 2 235.272 0.432 20 0 BCADLO C[C@@H](NC(=O)c1cnon1)C1C[NH+](CCF)C1 ZINC000970622179 643486634 /nfs/dbraw/zinc/48/66/34/643486634.db2.gz IQEBRTKMFSTIPF-SSDOTTSWSA-N 1 2 242.254 0.089 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2=COCC2)CCO1 ZINC000734124815 643489344 /nfs/dbraw/zinc/48/93/44/643489344.db2.gz CXBMRIALZOICRW-JTQLQIEISA-N 1 2 240.303 0.128 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2=COCC2)CCO1 ZINC000734124815 643489348 /nfs/dbraw/zinc/48/93/48/643489348.db2.gz CXBMRIALZOICRW-JTQLQIEISA-N 1 2 240.303 0.128 20 0 BCADLO CC[S@@](=O)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000735116923 643522921 /nfs/dbraw/zinc/52/29/21/643522921.db2.gz UOZVIRLCEWMNIP-MGPLVRAMSA-N 1 2 246.376 0.356 20 0 BCADLO CC[S@@](=O)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000735116923 643522926 /nfs/dbraw/zinc/52/29/26/643522926.db2.gz UOZVIRLCEWMNIP-MGPLVRAMSA-N 1 2 246.376 0.356 20 0 BCADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](CC)CO ZINC000082757927 643523200 /nfs/dbraw/zinc/52/32/00/643523200.db2.gz AFCMFQUYYGFATA-RKDXNWHRSA-N 1 2 203.282 0.689 20 0 BCADLO CC[NH2+]Cc1noc(C[C@@H]2CCCO2)n1 ZINC000083525226 643537534 /nfs/dbraw/zinc/53/75/34/643537534.db2.gz JBLFYUMHTSLKSC-QMMMGPOBSA-N 1 2 211.265 0.901 20 0 BCADLO CCOCCOCC[NH+]1CCOCC1 ZINC000167263174 643607057 /nfs/dbraw/zinc/60/70/57/643607057.db2.gz SORPIDGTZAULCG-UHFFFAOYSA-N 1 2 203.282 0.372 20 0 BCADLO CCOC(=O)CNC(=O)CNc1cccc[nH+]1 ZINC000196220807 643641625 /nfs/dbraw/zinc/64/16/25/643641625.db2.gz LZESKDPMNUJJJE-UHFFFAOYSA-N 1 2 237.259 0.173 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ccc(Cl)nn2)C1 ZINC000084378985 643660306 /nfs/dbraw/zinc/66/03/06/643660306.db2.gz RSZNQNNORLGYAJ-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ccc(Cl)nn2)C1 ZINC000084378985 643660312 /nfs/dbraw/zinc/66/03/12/643660312.db2.gz RSZNQNNORLGYAJ-MRVPVSSYSA-N 1 2 242.710 0.873 20 0 BCADLO CC1=CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866974852 643660552 /nfs/dbraw/zinc/66/05/52/643660552.db2.gz SVSIAWDGZCYOMA-SNVBAGLBSA-N 1 2 221.260 0.622 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016061424 643665110 /nfs/dbraw/zinc/66/51/10/643665110.db2.gz VLQTVIMCRBKNRB-DTWKUNHWSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016061424 643665113 /nfs/dbraw/zinc/66/51/13/643665113.db2.gz VLQTVIMCRBKNRB-DTWKUNHWSA-N 1 2 241.335 0.097 20 0 BCADLO CCOC(=O)[C@@H](C)NCc1c[nH+]cn1C ZINC000085169429 643688590 /nfs/dbraw/zinc/68/85/90/643688590.db2.gz OSWKNGOCHVPTBL-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO CC(C)C1(O)CN(Cc2c[nH+]cn2C)C1 ZINC000085191959 643690845 /nfs/dbraw/zinc/69/08/45/643690845.db2.gz UPKJUAYDPHJKJT-UHFFFAOYSA-N 1 2 209.293 0.623 20 0 BCADLO CC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000998312446 643693544 /nfs/dbraw/zinc/69/35/44/643693544.db2.gz KJTNDRYSIHJVFW-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000998316801 643696474 /nfs/dbraw/zinc/69/64/74/643696474.db2.gz ZIPSCRULVIHTSR-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CCONC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614775 643763205 /nfs/dbraw/zinc/76/32/05/643763205.db2.gz RBDYKVDXLHYTHZ-SSDOTTSWSA-N 1 2 204.295 0.149 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002202349 643810508 /nfs/dbraw/zinc/81/05/08/643810508.db2.gz SSZSWYMMTGXLRF-UHFFFAOYSA-N 1 2 240.332 0.639 20 0 BCADLO CCONC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922039095 643852104 /nfs/dbraw/zinc/85/21/04/643852104.db2.gz PBPOYVQBDCZRJH-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000085986930 643876655 /nfs/dbraw/zinc/87/66/55/643876655.db2.gz YCZVSYLCNQHVPA-NXEZZACHSA-N 1 2 224.260 0.888 20 0 BCADLO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ncc(C)o1 ZINC000922182498 643895602 /nfs/dbraw/zinc/89/56/02/643895602.db2.gz KDCWDXIRPLKIRJ-UWVGGRQHSA-N 1 2 228.292 0.595 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCCO1 ZINC000922242454 643917766 /nfs/dbraw/zinc/91/77/66/643917766.db2.gz AJXTUWBGPOFNAN-SECBINFHSA-N 1 2 222.244 0.886 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=C[C@@H]1CO ZINC000922281223 643951686 /nfs/dbraw/zinc/95/16/86/643951686.db2.gz SXABXJFTRYFZAK-CMPLNLGQSA-N 1 2 247.298 0.205 20 0 BCADLO Nc1ccc(COC(=O)CCn2ccnn2)c[nH+]1 ZINC000922313171 643968749 /nfs/dbraw/zinc/96/87/49/643968749.db2.gz GDFNZAWENPAWML-UHFFFAOYSA-N 1 2 247.258 0.389 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1COCCO1 ZINC000922334560 643975219 /nfs/dbraw/zinc/97/52/19/643975219.db2.gz KGSROJMSVDMIAD-VIFPVBQESA-N 1 2 238.243 0.122 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000925359581 643994108 /nfs/dbraw/zinc/99/41/08/643994108.db2.gz QLUPDCOJVHBENC-SCZZXKLOSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@H]1C[N@H+](C)CCO1 ZINC000925359581 643994111 /nfs/dbraw/zinc/99/41/11/643994111.db2.gz QLUPDCOJVHBENC-SCZZXKLOSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@H]1C[N@@H+](C)CCO1 ZINC000925359581 643994112 /nfs/dbraw/zinc/99/41/12/643994112.db2.gz QLUPDCOJVHBENC-SCZZXKLOSA-N 1 2 240.307 0.359 20 0 BCADLO Nc1[nH+]cccc1COC(=O)CC1(CO)CC1 ZINC000922526998 644013751 /nfs/dbraw/zinc/01/37/51/644013751.db2.gz QBTXCXLMCFKINF-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO COC/C=C\C(=O)OCc1ccc[nH+]c1N ZINC000922669451 644064320 /nfs/dbraw/zinc/06/43/20/644064320.db2.gz JYEWDGFVGDHTCE-HYXAFXHYSA-N 1 2 222.244 0.910 20 0 BCADLO COc1cc(NC(=O)Cn2cc[nH+]c2)n(C)n1 ZINC000922816915 644106953 /nfs/dbraw/zinc/10/69/53/644106953.db2.gz LGZKUQKPSCRFOJ-UHFFFAOYSA-N 1 2 235.247 0.264 20 0 BCADLO COC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922840250 644115895 /nfs/dbraw/zinc/11/58/95/644115895.db2.gz XFIRUBFVZIXWPH-UHFFFAOYSA-N 1 2 222.244 0.886 20 0 BCADLO CC(C)(C[NH2+]Cc1c[nH]cn1)S(C)(=O)=O ZINC000086503213 644145324 /nfs/dbraw/zinc/14/53/24/644145324.db2.gz WEPFASLGLLOWQQ-UHFFFAOYSA-N 1 2 231.321 0.323 20 0 BCADLO Cc1nc(N2C[C@H](C)C[C@H](CO)C2)nc(N)[nH+]1 ZINC000631312268 644154213 /nfs/dbraw/zinc/15/42/13/644154213.db2.gz BZTFCJMKVAELFS-APPZFPTMSA-N 1 2 237.307 0.217 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C[C@@H]1CCNC1=O ZINC000922935044 644193980 /nfs/dbraw/zinc/19/39/80/644193980.db2.gz QHUXYWBQWSSLAN-QMMMGPOBSA-N 1 2 249.270 0.233 20 0 BCADLO Cn1ccc(C[NH2+]Cc2cncc(O)c2)n1 ZINC000922977262 644211253 /nfs/dbraw/zinc/21/12/53/644211253.db2.gz OMKMBTYFYFVBDO-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO C[C@@H](CNC(=O)C1=COCC1)Cn1cc[nH+]c1 ZINC000081797885 644346197 /nfs/dbraw/zinc/34/61/97/644346197.db2.gz IGZCQGFADAGWCQ-JTQLQIEISA-N 1 2 235.287 0.940 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@]12C[C@H]1COC2 ZINC000923358401 644366232 /nfs/dbraw/zinc/36/62/32/644366232.db2.gz ANKGXQQUADXXII-CABZTGNLSA-N 1 2 233.271 0.399 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(CCF)CC1 ZINC000952403677 644386032 /nfs/dbraw/zinc/38/60/32/644386032.db2.gz XFCKISVGXNJQGO-UHFFFAOYSA-N 1 2 240.282 0.066 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000195435722 644390720 /nfs/dbraw/zinc/39/07/20/644390720.db2.gz ZIHIGYXRJQMESX-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923523662 644483828 /nfs/dbraw/zinc/48/38/28/644483828.db2.gz XJOBUZKZPMIUHR-AXFHLTTASA-N 1 2 246.376 0.103 20 0 BCADLO CC[C@H](C)C[N@H+]1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923523662 644483832 /nfs/dbraw/zinc/48/38/32/644483832.db2.gz XJOBUZKZPMIUHR-AXFHLTTASA-N 1 2 246.376 0.103 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923570582 644507011 /nfs/dbraw/zinc/50/70/11/644507011.db2.gz KXFLBXYPOOCPCK-FBIMIBRVSA-N 1 2 246.266 0.932 20 0 BCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)=O ZINC000639461159 644600780 /nfs/dbraw/zinc/60/07/80/644600780.db2.gz OXKNNTQNHCIJQZ-NSHDSACASA-N 1 2 226.320 0.908 20 0 BCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)=O ZINC000639461159 644600786 /nfs/dbraw/zinc/60/07/86/644600786.db2.gz OXKNNTQNHCIJQZ-NSHDSACASA-N 1 2 226.320 0.908 20 0 BCADLO C[C@@H]1C(=O)N(Cc2ccc(N)[nH+]c2)C(=O)[C@H]1C ZINC000092112290 644647363 /nfs/dbraw/zinc/64/73/63/644647363.db2.gz HUVSFJWDCDMCHC-YUMQZZPRSA-N 1 2 233.271 0.805 20 0 BCADLO CCn1cc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000093013021 644674513 /nfs/dbraw/zinc/67/45/13/644674513.db2.gz CKLZYGYJRIKAHI-UHFFFAOYSA-N 1 2 237.303 0.852 20 0 BCADLO CCn1cc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000093013021 644674515 /nfs/dbraw/zinc/67/45/15/644674515.db2.gz CKLZYGYJRIKAHI-UHFFFAOYSA-N 1 2 237.303 0.852 20 0 BCADLO C[N@H+](C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000248877075 644702341 /nfs/dbraw/zinc/70/23/41/644702341.db2.gz JSTQCFYUERDQCD-WDEREUQCSA-N 1 2 245.344 0.798 20 0 BCADLO C[N@@H+](C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000248877075 644702347 /nfs/dbraw/zinc/70/23/47/644702347.db2.gz JSTQCFYUERDQCD-WDEREUQCSA-N 1 2 245.344 0.798 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ncccn1 ZINC000779214249 644711176 /nfs/dbraw/zinc/71/11/76/644711176.db2.gz SQLHNXGGMVMPAU-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO CCN(C(=O)c1ccn(C)n1)C1C[NH+](CC)C1 ZINC000957390865 644725242 /nfs/dbraw/zinc/72/52/42/644725242.db2.gz VMJXLYYDLZHHAC-UHFFFAOYSA-N 1 2 236.319 0.586 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780400983 644730359 /nfs/dbraw/zinc/73/03/59/644730359.db2.gz OLRHXYSFCFEQQV-AXFHLTTASA-N 1 2 236.271 0.888 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC000957991659 644767349 /nfs/dbraw/zinc/76/73/49/644767349.db2.gz MFRAYRMOPAKAJD-PJXYFTJBSA-N 1 2 249.314 0.858 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC000957991659 644767356 /nfs/dbraw/zinc/76/73/56/644767356.db2.gz MFRAYRMOPAKAJD-PJXYFTJBSA-N 1 2 249.314 0.858 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C)CCOC1 ZINC000793243815 644801261 /nfs/dbraw/zinc/80/12/61/644801261.db2.gz WMBNGPFDDAPLRT-GFCCVEGCSA-N 1 2 238.287 0.932 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@H](C2CC2)O1 ZINC000794651204 644804609 /nfs/dbraw/zinc/80/46/09/644804609.db2.gz GNSAYZDELAEWBO-GXSJLCMTSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@H](C2CC2)O1 ZINC000794651204 644804614 /nfs/dbraw/zinc/80/46/14/644804614.db2.gz GNSAYZDELAEWBO-GXSJLCMTSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@H]1C[N@H+](CC[C@@H]2CCOC2=O)CC(=O)N1C ZINC000800479607 644834523 /nfs/dbraw/zinc/83/45/23/644834523.db2.gz HIRXUUBVFATREA-VHSXEESVSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1C[N@@H+](CC[C@@H]2CCOC2=O)CC(=O)N1C ZINC000800479607 644834528 /nfs/dbraw/zinc/83/45/28/644834528.db2.gz HIRXUUBVFATREA-VHSXEESVSA-N 1 2 240.303 0.102 20 0 BCADLO Cc1nc(NC[C@@H](O)CC(C)C)nc(N)[nH+]1 ZINC000304544900 644914865 /nfs/dbraw/zinc/91/48/65/644914865.db2.gz WMKLHPJAVQISFI-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)CC(C)C)[nH+]1 ZINC000304544900 644914870 /nfs/dbraw/zinc/91/48/70/644914870.db2.gz WMKLHPJAVQISFI-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO CCCOC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000304557345 644915602 /nfs/dbraw/zinc/91/56/02/644915602.db2.gz KWWQGHGAUYGIAK-JTQLQIEISA-N 1 2 230.308 0.843 20 0 BCADLO CC[C@H]1C[NH+](CC(=O)N(C)OC)C[C@H](CC)O1 ZINC000817281046 644969559 /nfs/dbraw/zinc/96/95/59/644969559.db2.gz QJCMYCOUZDMKAC-QWRGUYRKSA-N 1 2 244.335 0.896 20 0 BCADLO COC(=O)[C@@H](F)CNc1cc[nH+]c(C)n1 ZINC000840341756 644982065 /nfs/dbraw/zinc/98/20/65/644982065.db2.gz OKFRPNSEJIPPNO-ZETCQYMHSA-N 1 2 213.212 0.708 20 0 BCADLO C[C@H]1CN=C(NC(=O)CCn2cc[nH+]c2)S1 ZINC000819773799 645016034 /nfs/dbraw/zinc/01/60/34/645016034.db2.gz VBARKJBAPKWILJ-QMMMGPOBSA-N 1 2 238.316 0.881 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCN(C=O)CC1 ZINC000827867762 645087330 /nfs/dbraw/zinc/08/73/30/645087330.db2.gz PDTUJTHIJMOMEA-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCN(C=O)CC1 ZINC000827867762 645087338 /nfs/dbraw/zinc/08/73/38/645087338.db2.gz PDTUJTHIJMOMEA-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO C[NH2+]CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000828093813 645096225 /nfs/dbraw/zinc/09/62/25/645096225.db2.gz AVAZGHWUHQEMKY-UHFFFAOYSA-N 1 2 245.286 0.307 20 0 BCADLO C[NH2+]CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000828093813 645096228 /nfs/dbraw/zinc/09/62/28/645096228.db2.gz AVAZGHWUHQEMKY-UHFFFAOYSA-N 1 2 245.286 0.307 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830003781 645112807 /nfs/dbraw/zinc/11/28/07/645112807.db2.gz BRNNQTHRFYILIU-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000830353564 645121599 /nfs/dbraw/zinc/12/15/99/645121599.db2.gz AJLQEJPAAWEMRI-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCC(=O)C1 ZINC000830886433 645127416 /nfs/dbraw/zinc/12/74/16/645127416.db2.gz PQXNBZVKEDDMHM-SECBINFHSA-N 1 2 236.271 0.875 20 0 BCADLO C[C@@H](NC(=O)OCCCF)[C@H]1C[N@H+](C)CCO1 ZINC000841506658 645217801 /nfs/dbraw/zinc/21/78/01/645217801.db2.gz TZIOYMHJKNFERV-NXEZZACHSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H](NC(=O)OCCCF)[C@H]1C[N@@H+](C)CCO1 ZINC000841506658 645217805 /nfs/dbraw/zinc/21/78/05/645217805.db2.gz TZIOYMHJKNFERV-NXEZZACHSA-N 1 2 248.298 0.791 20 0 BCADLO COCC(COC)[NH2+][C@H](C)c1nonc1C ZINC000926532055 645258255 /nfs/dbraw/zinc/25/82/55/645258255.db2.gz WDXCHMJOKJSUSX-SSDOTTSWSA-N 1 2 229.280 0.690 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)C(=O)NC ZINC000926553911 645277287 /nfs/dbraw/zinc/27/72/87/645277287.db2.gz ZKMACFDXQCJEQG-CIUDSAMLSA-N 1 2 237.307 0.398 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926574640 645292381 /nfs/dbraw/zinc/29/23/81/645292381.db2.gz FRHYJJLLLQBTOA-DOLQZWNJSA-N 1 2 238.291 0.287 20 0 BCADLO CCN1CC[C@H]([NH2+][C@H](C)c2cnn(C)n2)C1 ZINC000926593613 645295873 /nfs/dbraw/zinc/29/58/73/645295873.db2.gz CSMMHUCDLGXZCX-ZJUUUORDSA-N 1 2 223.324 0.560 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c(=O)n1C ZINC000844691593 645344388 /nfs/dbraw/zinc/34/43/88/645344388.db2.gz XEQRHIAWOWSZLQ-JTQLQIEISA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H](C)CC2)c(=O)n1C ZINC000844691593 645344394 /nfs/dbraw/zinc/34/43/94/645344394.db2.gz XEQRHIAWOWSZLQ-JTQLQIEISA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@H]2C2CC2)c(=O)n1C ZINC000844691454 645344761 /nfs/dbraw/zinc/34/47/61/645344761.db2.gz MZQDVMCGWODNDA-NSHDSACASA-N 1 2 236.319 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c(=O)n1C ZINC000844691454 645344766 /nfs/dbraw/zinc/34/47/66/645344766.db2.gz MZQDVMCGWODNDA-NSHDSACASA-N 1 2 236.319 0.722 20 0 BCADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCNC1=O ZINC000926673574 645347376 /nfs/dbraw/zinc/34/73/76/645347376.db2.gz RKCSBZOMOMFTTF-IUCAKERBSA-N 1 2 235.287 0.839 20 0 BCADLO CCN(CC(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867385133 645365036 /nfs/dbraw/zinc/36/50/36/645365036.db2.gz ZWRWABQQYQKOGM-MRVPVSSYSA-N 1 2 233.218 0.557 20 0 BCADLO CCO[N-]C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000846092449 645403029 /nfs/dbraw/zinc/40/30/29/645403029.db2.gz ZWVTXLZULYRRIP-UHFFFAOYSA-N 1 2 229.324 0.128 20 0 BCADLO C[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000926826620 645439395 /nfs/dbraw/zinc/43/93/95/645439395.db2.gz ZBOLZFWYMPEWRA-VGMNWLOBSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@@H]1COC[C@@H]1[N@H+]1CCO[C@H](C(F)F)C1 ZINC000926826620 645439401 /nfs/dbraw/zinc/43/94/01/645439401.db2.gz ZBOLZFWYMPEWRA-VGMNWLOBSA-N 1 2 221.247 0.987 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(F)n2)C1 ZINC000851796122 645468670 /nfs/dbraw/zinc/46/86/70/645468670.db2.gz UWGZBOXPQPZAKG-AOOOYVTPSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(F)n2)C1 ZINC000851796122 645468678 /nfs/dbraw/zinc/46/86/78/645468678.db2.gz UWGZBOXPQPZAKG-AOOOYVTPSA-N 1 2 226.251 0.148 20 0 BCADLO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C)c2ncnn21 ZINC000926887896 645474083 /nfs/dbraw/zinc/47/40/83/645474083.db2.gz FEZGHWXKVRGITL-KXUCPTDWSA-N 1 2 221.308 0.578 20 0 BCADLO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C)c2ncnn21 ZINC000926887896 645474090 /nfs/dbraw/zinc/47/40/90/645474090.db2.gz FEZGHWXKVRGITL-KXUCPTDWSA-N 1 2 221.308 0.578 20 0 BCADLO O=C1CCN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000857237139 645542506 /nfs/dbraw/zinc/54/25/06/645542506.db2.gz OPIUSDJQKWEIOP-KNVOCYPGSA-N 1 2 202.204 0.373 20 0 BCADLO O=C1CCN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000857237139 645542514 /nfs/dbraw/zinc/54/25/14/645542514.db2.gz OPIUSDJQKWEIOP-KNVOCYPGSA-N 1 2 202.204 0.373 20 0 BCADLO O=C(CC1(O)CCC1)NCCCn1cc[nH+]c1 ZINC000857428913 645553815 /nfs/dbraw/zinc/55/38/15/645553815.db2.gz LWZDKLVFKLJTKM-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO Cc1cc(NC(=O)[C@@H](O)c2ccccn2)cc[nH+]1 ZINC000857450775 645563939 /nfs/dbraw/zinc/56/39/39/645563939.db2.gz KOICFVNWOOGNJH-LBPRGKRZSA-N 1 2 243.266 0.879 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnn2c1CCC2 ZINC000857506974 645580653 /nfs/dbraw/zinc/58/06/53/645580653.db2.gz KNZIAPUEZCMVQM-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC1(F)F ZINC000857506359 645583052 /nfs/dbraw/zinc/58/30/52/645583052.db2.gz DDAOIBSEMUYPER-SSDOTTSWSA-N 1 2 215.203 0.692 20 0 BCADLO C[C@@H](O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766438 645651871 /nfs/dbraw/zinc/65/18/71/645651871.db2.gz FOZIOHSIYCSYNF-SSDOTTSWSA-N 1 2 243.332 0.202 20 0 BCADLO C[C@H](O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766439 645652647 /nfs/dbraw/zinc/65/26/47/645652647.db2.gz FOZIOHSIYCSYNF-ZETCQYMHSA-N 1 2 243.332 0.202 20 0 BCADLO COC[C@]1(C)C[N@H+](CC2OCCO2)CCO1 ZINC000860199275 645687091 /nfs/dbraw/zinc/68/70/91/645687091.db2.gz GZHOJBYJGZVIBG-NSHDSACASA-N 1 2 231.292 0.097 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC2OCCO2)CCO1 ZINC000860199275 645687098 /nfs/dbraw/zinc/68/70/98/645687098.db2.gz GZHOJBYJGZVIBG-NSHDSACASA-N 1 2 231.292 0.097 20 0 BCADLO CO[C@H]1CCCN(NC(=O)Cn2cc[nH+]c2)C1 ZINC000928412637 645727636 /nfs/dbraw/zinc/72/76/36/645727636.db2.gz MLKXMONGTNNFRC-JTQLQIEISA-N 1 2 238.291 0.025 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930286719 645752665 /nfs/dbraw/zinc/75/26/65/645752665.db2.gz AAFXKDPFYNNKLQ-ZNSHCXBVSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930286719 645752671 /nfs/dbraw/zinc/75/26/71/645752671.db2.gz AAFXKDPFYNNKLQ-ZNSHCXBVSA-N 1 2 243.303 0.284 20 0 BCADLO NS(=O)(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)co1 ZINC000877650997 645805989 /nfs/dbraw/zinc/80/59/89/645805989.db2.gz VPGHRUSIQBAYAR-DTORHVGOSA-N 1 2 242.300 0.379 20 0 BCADLO NS(=O)(=O)c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)co1 ZINC000877650997 645805995 /nfs/dbraw/zinc/80/59/95/645805995.db2.gz VPGHRUSIQBAYAR-DTORHVGOSA-N 1 2 242.300 0.379 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC000928565092 645826424 /nfs/dbraw/zinc/82/64/24/645826424.db2.gz ZDRHQGYBBIYZRV-QMMMGPOBSA-N 1 2 212.293 0.422 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC000928565092 645826427 /nfs/dbraw/zinc/82/64/27/645826427.db2.gz ZDRHQGYBBIYZRV-QMMMGPOBSA-N 1 2 212.293 0.422 20 0 BCADLO CCN(OC)C(=O)CNc1cc[nH+]cc1F ZINC000882517208 645842741 /nfs/dbraw/zinc/84/27/41/645842741.db2.gz RPSFLBSQGUEFCW-UHFFFAOYSA-N 1 2 227.239 0.464 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)OC ZINC000928638851 645851845 /nfs/dbraw/zinc/85/18/45/645851845.db2.gz KZDHBDSBVUGBPG-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCF ZINC000928647059 645852203 /nfs/dbraw/zinc/85/22/03/645852203.db2.gz DTAACYPVWJYEOX-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1C ZINC000928642907 645853900 /nfs/dbraw/zinc/85/39/00/645853900.db2.gz IWRRMZWYVQUKSK-SRVKXCTJSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000928888171 645877503 /nfs/dbraw/zinc/87/75/03/645877503.db2.gz ZZTQJKZUTBZIQR-VXNVDRBHSA-N 1 2 209.249 0.103 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000928902687 645885738 /nfs/dbraw/zinc/88/57/38/645885738.db2.gz FZZVDAOLQFDNEF-MXWKQRLJSA-N 1 2 249.314 0.597 20 0 BCADLO c1nnc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC000929068670 645931979 /nfs/dbraw/zinc/93/19/79/645931979.db2.gz CUKUJRFVGPGXJO-UHFFFAOYSA-N 1 2 221.289 0.820 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC000929099850 645939558 /nfs/dbraw/zinc/93/95/58/645939558.db2.gz HWUWTQYVNPXFLY-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC000929099214 645940941 /nfs/dbraw/zinc/94/09/41/645940941.db2.gz BKIIKUDWADPPGD-UHFFFAOYSA-N 1 2 248.330 0.996 20 0 BCADLO CCOC(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929124578 645959752 /nfs/dbraw/zinc/95/97/52/645959752.db2.gz NTQWOVGDXLRJTD-UHFFFAOYSA-N 1 2 242.319 0.940 20 0 BCADLO CCCNC(=O)Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924000690 645970929 /nfs/dbraw/zinc/97/09/29/645970929.db2.gz ORUWVPPJZDRWBQ-MRVPVSSYSA-N 1 2 240.307 0.761 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095388 645978921 /nfs/dbraw/zinc/97/89/21/645978921.db2.gz HPNUICTYESFZKS-CBAPKCEASA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095388 645978927 /nfs/dbraw/zinc/97/89/27/645978927.db2.gz HPNUICTYESFZKS-CBAPKCEASA-N 1 2 249.274 0.851 20 0 BCADLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000929157387 645979941 /nfs/dbraw/zinc/97/99/41/645979941.db2.gz RZYWRRMSNABDGR-UHFFFAOYSA-N 1 2 248.290 0.315 20 0 BCADLO CCc1ncc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000929187987 645992861 /nfs/dbraw/zinc/99/28/61/645992861.db2.gz ATKSTCUILKJCGX-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO CCc1ncc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000929187987 645992868 /nfs/dbraw/zinc/99/28/68/645992868.db2.gz ATKSTCUILKJCGX-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CCCO1 ZINC000924206032 646007603 /nfs/dbraw/zinc/00/76/03/646007603.db2.gz CLQYSNFBGRZFRR-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H](O)[C@@H](C)O)no1 ZINC000929256281 646037656 /nfs/dbraw/zinc/03/76/56/646037656.db2.gz AJVUDFAWLDITEF-PSASIEDQSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H](O)[C@@H](C)O)no1 ZINC000929256281 646037659 /nfs/dbraw/zinc/03/76/59/646037659.db2.gz AJVUDFAWLDITEF-PSASIEDQSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(C)nn1 ZINC000929230981 646024707 /nfs/dbraw/zinc/02/47/07/646024707.db2.gz FJUPBURVXGMCEO-LBPRGKRZSA-N 1 2 248.330 0.933 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)c(C)nn1 ZINC000929230981 646024711 /nfs/dbraw/zinc/02/47/11/646024711.db2.gz FJUPBURVXGMCEO-LBPRGKRZSA-N 1 2 248.330 0.933 20 0 BCADLO CON1CC[C@@H]([N@@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000929348865 646090629 /nfs/dbraw/zinc/09/06/29/646090629.db2.gz VTZVLYPJGQQAEX-VHSXEESVSA-N 1 2 242.319 0.648 20 0 BCADLO CON1CC[C@@H]([N@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000929348865 646090635 /nfs/dbraw/zinc/09/06/35/646090635.db2.gz VTZVLYPJGQQAEX-VHSXEESVSA-N 1 2 242.319 0.648 20 0 BCADLO CON1CC[C@H]([N@@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000929348866 646091409 /nfs/dbraw/zinc/09/14/09/646091409.db2.gz VTZVLYPJGQQAEX-ZJUUUORDSA-N 1 2 242.319 0.648 20 0 BCADLO CON1CC[C@H]([N@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000929348866 646091411 /nfs/dbraw/zinc/09/14/11/646091411.db2.gz VTZVLYPJGQQAEX-ZJUUUORDSA-N 1 2 242.319 0.648 20 0 BCADLO COc1cc([C@@H](C)[NH2+]CCS(C)(=O)=O)on1 ZINC000924851052 646119838 /nfs/dbraw/zinc/11/98/38/646119838.db2.gz OEFABLJKEJJBID-SSDOTTSWSA-N 1 2 248.304 0.378 20 0 BCADLO Cc1[nH+]ccn1CCN[C@@H](C)c1cnn(C)n1 ZINC000924871144 646122375 /nfs/dbraw/zinc/12/23/75/646122375.db2.gz DAMCTMCJZRVJQN-VIFPVBQESA-N 1 2 234.307 0.671 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000924897709 646127409 /nfs/dbraw/zinc/12/74/09/646127409.db2.gz RHLSGUVSOMGNKN-SVRRBLITSA-N 1 2 224.264 0.259 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)c(C)nn1 ZINC000929482758 646138450 /nfs/dbraw/zinc/13/84/50/646138450.db2.gz UXQPFFNSADAIRD-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)c(C)nn1 ZINC000929482758 646138458 /nfs/dbraw/zinc/13/84/58/646138458.db2.gz UXQPFFNSADAIRD-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)C1(O)CCCC1 ZINC000929505870 646156214 /nfs/dbraw/zinc/15/62/14/646156214.db2.gz TZBMOYPNNCGLIK-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)C1(O)CCCC1 ZINC000929505870 646156216 /nfs/dbraw/zinc/15/62/16/646156216.db2.gz TZBMOYPNNCGLIK-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000925030087 646161071 /nfs/dbraw/zinc/16/10/71/646161071.db2.gz HZTJBRKQKCCQKJ-MWLCHTKSSA-N 1 2 237.303 0.632 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H]1CCOC1 ZINC000929682595 646241158 /nfs/dbraw/zinc/24/11/58/646241158.db2.gz HNQBTWFITWNTIT-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000929682595 646241162 /nfs/dbraw/zinc/24/11/62/646241162.db2.gz HNQBTWFITWNTIT-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1noc2c1COCC2 ZINC000929714886 646269623 /nfs/dbraw/zinc/26/96/23/646269623.db2.gz FFOFIYCTAXWDJB-VIFPVBQESA-N 1 2 240.303 0.950 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1noc2c1COCC2 ZINC000929714886 646269627 /nfs/dbraw/zinc/26/96/27/646269627.db2.gz FFOFIYCTAXWDJB-VIFPVBQESA-N 1 2 240.303 0.950 20 0 BCADLO C[C@@H](c1ncccn1)[N@H+](C)CC(C)(CO)CO ZINC000929858477 646363436 /nfs/dbraw/zinc/36/34/36/646363436.db2.gz IQNVBJWTVMZJQM-JTQLQIEISA-N 1 2 239.319 0.460 20 0 BCADLO C[C@@H](c1ncccn1)[N@@H+](C)CC(C)(CO)CO ZINC000929858477 646363440 /nfs/dbraw/zinc/36/34/40/646363440.db2.gz IQNVBJWTVMZJQM-JTQLQIEISA-N 1 2 239.319 0.460 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCc1nnc(C)o1 ZINC000929970644 646381581 /nfs/dbraw/zinc/38/15/81/646381581.db2.gz YSNUQGCSGZSXTQ-UHFFFAOYSA-N 1 2 241.291 0.804 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCc1nnc(C)o1 ZINC000929970644 646381584 /nfs/dbraw/zinc/38/15/84/646381584.db2.gz YSNUQGCSGZSXTQ-UHFFFAOYSA-N 1 2 241.291 0.804 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930070218 646418947 /nfs/dbraw/zinc/41/89/47/646418947.db2.gz WCMMCNANSJTELY-WDEREUQCSA-N 1 2 249.314 0.967 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCc2c[nH]nc2C1 ZINC000930070218 646418951 /nfs/dbraw/zinc/41/89/51/646418951.db2.gz WCMMCNANSJTELY-WDEREUQCSA-N 1 2 249.314 0.967 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000930069911 646420830 /nfs/dbraw/zinc/42/08/30/646420830.db2.gz SGGDFUDMYAMJLH-NSHDSACASA-N 1 2 237.303 0.573 20 0 BCADLO c1[nH]nc2c1CC[N@H+](CCO[C@H]1CCOC1)C2 ZINC000930069911 646420832 /nfs/dbraw/zinc/42/08/32/646420832.db2.gz SGGDFUDMYAMJLH-NSHDSACASA-N 1 2 237.303 0.573 20 0 BCADLO CC[N@@H+](C/C=C(\C)COC)CCS(C)(=O)=O ZINC000930082386 646424154 /nfs/dbraw/zinc/42/41/54/646424154.db2.gz OISWEQZODORBSU-IZZDOVSWSA-N 1 2 249.376 0.946 20 0 BCADLO CC[N@H+](C/C=C(\C)COC)CCS(C)(=O)=O ZINC000930082386 646424155 /nfs/dbraw/zinc/42/41/55/646424155.db2.gz OISWEQZODORBSU-IZZDOVSWSA-N 1 2 249.376 0.946 20 0 BCADLO CC(C)OCc1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000930085847 646425602 /nfs/dbraw/zinc/42/56/02/646425602.db2.gz JUVTZVBGLCEPBM-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO CC(C)OCc1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000930085847 646425607 /nfs/dbraw/zinc/42/56/07/646425607.db2.gz JUVTZVBGLCEPBM-VIFPVBQESA-N 1 2 243.307 0.807 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930121560 646444583 /nfs/dbraw/zinc/44/45/83/646444583.db2.gz OXNFQMPKPGVKGF-DCAQKATOSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930121560 646444585 /nfs/dbraw/zinc/44/45/85/646444585.db2.gz OXNFQMPKPGVKGF-DCAQKATOSA-N 1 2 237.303 0.645 20 0 BCADLO CC[S@](C)(=O)=NC(=O)CCc1c[nH]c[nH+]1 ZINC000925826594 646497945 /nfs/dbraw/zinc/49/79/45/646497945.db2.gz NYIXEWVAPTYDOZ-HNNXBMFYSA-N 1 2 229.305 0.987 20 0 BCADLO CC[S@](C)(=O)=NC(=O)CCc1c[nH+]c[nH]1 ZINC000925826594 646497946 /nfs/dbraw/zinc/49/79/46/646497946.db2.gz NYIXEWVAPTYDOZ-HNNXBMFYSA-N 1 2 229.305 0.987 20 0 BCADLO C[C@H]1C[C@H]([NH2+][C@@H]2CNOC2)c2nccn21 ZINC000925858398 646513132 /nfs/dbraw/zinc/51/31/32/646513132.db2.gz BLSMXMCOGKRZCP-YIZRAAEISA-N 1 2 208.265 0.382 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@H]2CNOC2)c2nccn21 ZINC000925864800 646516547 /nfs/dbraw/zinc/51/65/47/646516547.db2.gz BLSMXMCOGKRZCP-VGMNWLOBSA-N 1 2 208.265 0.382 20 0 BCADLO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CNOC1 ZINC000925867005 646518374 /nfs/dbraw/zinc/51/83/74/646518374.db2.gz OXCZTOAVHDTTOT-BDAKNGLRSA-N 1 2 210.281 0.457 20 0 BCADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CNOC1)C1CC1 ZINC000925868725 646519876 /nfs/dbraw/zinc/51/98/76/646519876.db2.gz WRMQPJYXSCBXAB-ZJUUUORDSA-N 1 2 222.292 0.364 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N=S1(=O)CCCC1 ZINC000925910795 646538345 /nfs/dbraw/zinc/53/83/45/646538345.db2.gz BMQBMGLBBIEXSS-UHFFFAOYSA-N 1 2 241.316 0.751 20 0 BCADLO C[N@@H+]1CC[C@H](C(=O)N=S2(=O)CCCC2)C1 ZINC000925907632 646538933 /nfs/dbraw/zinc/53/89/33/646538933.db2.gz QEYBMOIJCCOBCX-VIFPVBQESA-N 1 2 230.333 0.727 20 0 BCADLO C[N@H+]1CC[C@H](C(=O)N=S2(=O)CCCC2)C1 ZINC000925907632 646538938 /nfs/dbraw/zinc/53/89/38/646538938.db2.gz QEYBMOIJCCOBCX-VIFPVBQESA-N 1 2 230.333 0.727 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC000926048938 646564665 /nfs/dbraw/zinc/56/46/65/646564665.db2.gz XRVAFKAVBOAKSN-HNNXBMFYSA-N 1 2 229.305 0.985 20 0 BCADLO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ncco1 ZINC000926118089 646578218 /nfs/dbraw/zinc/57/82/18/646578218.db2.gz YDDHAGNVQZSZOD-QMMMGPOBSA-N 1 2 249.274 0.478 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ncnn1C ZINC000926263238 646607565 /nfs/dbraw/zinc/60/75/65/646607565.db2.gz VDETWHDZMPWWBD-RKDXNWHRSA-N 1 2 240.307 0.617 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nonc1C ZINC000926263903 646608422 /nfs/dbraw/zinc/60/84/22/646608422.db2.gz YDZIXOPUPAKQDF-CBAPKCEASA-N 1 2 240.307 0.895 20 0 BCADLO COC[C@@H](CO)[NH2+][C@@H](C)c1nonc1C ZINC000926336961 646618879 /nfs/dbraw/zinc/61/88/79/646618879.db2.gz GVVXQQJANDUTRM-POYBYMJQSA-N 1 2 215.253 0.036 20 0 BCADLO Cn1ncc(C[NH2+]C[C@@](C)(O)C(F)(F)F)n1 ZINC000382398233 711601862 /nfs/dbraw/zinc/60/18/62/711601862.db2.gz OWQCVPQDIOVYEI-SSDOTTSWSA-N 1 2 238.213 0.218 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724667635 711607256 /nfs/dbraw/zinc/60/72/56/711607256.db2.gz BVILSJIKTSNJQP-VWYCJHECSA-N 1 2 243.303 0.285 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724667635 711607259 /nfs/dbraw/zinc/60/72/59/711607259.db2.gz BVILSJIKTSNJQP-VWYCJHECSA-N 1 2 243.303 0.285 20 0 BCADLO CSCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724730374 711609693 /nfs/dbraw/zinc/60/96/93/711609693.db2.gz RTNPICZILVLWLZ-ZCFIWIBFSA-N 1 2 226.292 0.838 20 0 BCADLO [NH3+][C@H](CC(=O)NC[C@@H]1CCCO1)C(F)F ZINC000724728038 711609811 /nfs/dbraw/zinc/60/98/11/711609811.db2.gz VYHSIWPJZPKSGT-NKWVEPMBSA-N 1 2 222.235 0.264 20 0 BCADLO COCCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724733596 711609908 /nfs/dbraw/zinc/60/99/08/711609908.db2.gz JUTZULZWLZFTKM-ZETCQYMHSA-N 1 2 224.251 0.512 20 0 BCADLO CC[C@@H](COC)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724748033 711610761 /nfs/dbraw/zinc/61/07/61/711610761.db2.gz ZVCXFSPFFSKFAW-BQBZGAKWSA-N 1 2 224.251 0.510 20 0 BCADLO CC(C)OCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724720710 711610085 /nfs/dbraw/zinc/61/00/85/711610085.db2.gz GSAFMUFELFRANQ-QMMMGPOBSA-N 1 2 238.278 0.900 20 0 BCADLO CC[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000724771560 711611356 /nfs/dbraw/zinc/61/13/56/711611356.db2.gz MCLYQGSBGKSLML-YUMQZZPRSA-N 1 2 236.262 0.606 20 0 BCADLO O=C(C(F)F)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001075473134 711645939 /nfs/dbraw/zinc/64/59/39/711645939.db2.gz KYCGONUWQYWDLT-JGVFFNPUSA-N 1 2 236.237 0.754 20 0 BCADLO O=C(C(F)F)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001075473134 711645941 /nfs/dbraw/zinc/64/59/41/711645941.db2.gz KYCGONUWQYWDLT-JGVFFNPUSA-N 1 2 236.237 0.754 20 0 BCADLO CC1(C)OCC([NH2+]Cc2cocn2)CO1 ZINC000393772025 711677622 /nfs/dbraw/zinc/67/76/22/711677622.db2.gz ZHSFBCCRNSJMPE-UHFFFAOYSA-N 1 2 212.249 0.916 20 0 BCADLO Cn1ccnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782619485 711677844 /nfs/dbraw/zinc/67/78/44/711677844.db2.gz PEXKKPOWYHYPOU-GXSJLCMTSA-N 1 2 207.277 0.234 20 0 BCADLO Cn1ccnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782619485 711677846 /nfs/dbraw/zinc/67/78/46/711677846.db2.gz PEXKKPOWYHYPOU-GXSJLCMTSA-N 1 2 207.277 0.234 20 0 BCADLO CCCNC(=S)N[C@H](C)C[NH+]1CCOCC1 ZINC000136029420 711681169 /nfs/dbraw/zinc/68/11/69/711681169.db2.gz RZEUAXJFTHPWNM-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001018383513 711682642 /nfs/dbraw/zinc/68/26/42/711682642.db2.gz FRDPWZRHPRDTGB-XVKPBYJWSA-N 1 2 238.291 0.649 20 0 BCADLO COCC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722388886 711752987 /nfs/dbraw/zinc/75/29/87/711752987.db2.gz ZZEBMWKBNCMCDE-UHFFFAOYSA-N 1 2 243.332 0.467 20 0 BCADLO CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001054300780 711946330 /nfs/dbraw/zinc/94/63/30/711946330.db2.gz PNTZPSGTEDKEKA-OIBJUYFYSA-N 1 2 240.332 0.495 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706172814 712141653 /nfs/dbraw/zinc/14/16/53/712141653.db2.gz BKUSEAOZFLGZLQ-QMMMGPOBSA-N 1 2 247.726 0.249 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706172814 712141654 /nfs/dbraw/zinc/14/16/54/712141654.db2.gz BKUSEAOZFLGZLQ-QMMMGPOBSA-N 1 2 247.726 0.249 20 0 BCADLO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1COC[C@H]1O ZINC000708735653 712198141 /nfs/dbraw/zinc/19/81/41/712198141.db2.gz MZSWUHJUKJNQCW-HTQZYQBOSA-N 1 2 248.735 0.988 20 0 BCADLO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1COC[C@H]1O ZINC000708735653 712198143 /nfs/dbraw/zinc/19/81/43/712198143.db2.gz MZSWUHJUKJNQCW-HTQZYQBOSA-N 1 2 248.735 0.988 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1cocn1 ZINC000711007914 712274313 /nfs/dbraw/zinc/27/43/13/712274313.db2.gz ZWWBSHRUCLUDRF-VIFPVBQESA-N 1 2 212.249 0.916 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2(OC)CCCC2)C1 ZINC000714410678 712485645 /nfs/dbraw/zinc/48/56/45/712485645.db2.gz QATFSSSVBNUDER-UHFFFAOYSA-N 1 2 243.303 0.165 20 0 BCADLO CCn1cc(C[NH2+][C@H]2CC(=O)N(CC)C2)nn1 ZINC000714909244 712499151 /nfs/dbraw/zinc/49/91/51/712499151.db2.gz PAYRMHHNAPDKJO-VIFPVBQESA-N 1 2 237.307 0.008 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC000716954736 712599763 /nfs/dbraw/zinc/59/97/63/712599763.db2.gz BRIOVHBQVQZAPX-VHSXEESVSA-N 1 2 225.292 0.549 20 0 BCADLO CCOC[C@H]([NH2+][C@H]1CCOC1=O)C(C)C ZINC000379928723 712631510 /nfs/dbraw/zinc/63/15/10/712631510.db2.gz NBAWMVKNOPNTPI-UWVGGRQHSA-N 1 2 215.293 0.953 20 0 BCADLO OCCN1CC[NH+](CCc2ccns2)CC1 ZINC000719851662 712826025 /nfs/dbraw/zinc/82/60/25/712826025.db2.gz HCCBVDZQXKCBKO-UHFFFAOYSA-N 1 2 241.360 0.296 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720427645 712841825 /nfs/dbraw/zinc/84/18/25/712841825.db2.gz UCRHZAUQMBEBBZ-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000720427645 712841827 /nfs/dbraw/zinc/84/18/27/712841827.db2.gz UCRHZAUQMBEBBZ-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C)CCC2)C[C@H]1CO ZINC000720678811 712861496 /nfs/dbraw/zinc/86/14/96/712861496.db2.gz FZRDLIXESYXJGR-JTQLQIEISA-N 1 2 226.320 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C)CCC2)C[C@H]1CO ZINC000720678811 712861499 /nfs/dbraw/zinc/86/14/99/712861499.db2.gz FZRDLIXESYXJGR-JTQLQIEISA-N 1 2 226.320 0.312 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@@H](CO)C2CC2)no1 ZINC000393619480 710638656 /nfs/dbraw/zinc/63/86/56/710638656.db2.gz AGMYRYIZCLIVLQ-RCOVLWMOSA-N 1 2 211.265 0.800 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000381495344 710646591 /nfs/dbraw/zinc/64/65/91/710646591.db2.gz MCYRBQFFBDUZHZ-UWVGGRQHSA-N 1 2 225.288 0.993 20 0 BCADLO Cc1nonc1C[NH2+]C1(C(N)=O)CCCC1 ZINC000381498268 710647333 /nfs/dbraw/zinc/64/73/33/710647333.db2.gz NLPWPJMZXQNRKL-UHFFFAOYSA-N 1 2 224.264 0.266 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1ncc(C)o1)C(N)=O ZINC000381600783 710660172 /nfs/dbraw/zinc/66/01/72/710660172.db2.gz NOZGVMICJWUISC-XVKPBYJWSA-N 1 2 225.292 0.973 20 0 BCADLO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1csnn1 ZINC000724926786 710748822 /nfs/dbraw/zinc/74/88/22/710748822.db2.gz UWUPRJLXOCILBF-IUCAKERBSA-N 1 2 243.332 0.994 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C(C)C)C1 ZINC001042486687 710787876 /nfs/dbraw/zinc/78/78/76/710787876.db2.gz BOTVQWYEYLQIJJ-UHFFFAOYSA-N 1 2 214.309 0.431 20 0 BCADLO CN(C(=O)c1ccncc1)C1C[NH+](CCCO)C1 ZINC001042412728 710781677 /nfs/dbraw/zinc/78/16/77/710781677.db2.gz HQVDRKSHFOXRMW-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC001042548248 710791565 /nfs/dbraw/zinc/79/15/65/710791565.db2.gz LBHBFXJDRAYNSH-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ocnc2C)C1 ZINC001042582131 710792718 /nfs/dbraw/zinc/79/27/18/710792718.db2.gz YWPOJAWHSXFDLV-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C(=O)CC1CCC1)C1C[NH+](CCO)C1 ZINC001042574442 710793353 /nfs/dbraw/zinc/79/33/53/710793353.db2.gz PWQSBLBNWDSYOT-UHFFFAOYSA-N 1 2 226.320 0.312 20 0 BCADLO CN(C(=O)[C@@H]1CC1(C)C)C1C[NH+](CCO)C1 ZINC001042625723 710795618 /nfs/dbraw/zinc/79/56/18/710795618.db2.gz NFVXNZZJLVIXIL-JTQLQIEISA-N 1 2 226.320 0.167 20 0 BCADLO CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1C[NH+](CCO)C1 ZINC001042680038 710796378 /nfs/dbraw/zinc/79/63/78/710796378.db2.gz DEOMFKPVRMROHG-IUCAKERBSA-N 1 2 248.273 0.023 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001042687947 710796612 /nfs/dbraw/zinc/79/66/12/710796612.db2.gz XEJIYUIEPZTJPZ-VIFPVBQESA-N 1 2 248.273 0.431 20 0 BCADLO CCn1ccnc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001042667704 710796919 /nfs/dbraw/zinc/79/69/19/710796919.db2.gz YTUZLAPYDVRYBN-UHFFFAOYSA-N 1 2 236.319 0.679 20 0 BCADLO CN(C(=O)[C@@H]1CC[C@@H](F)C1)C1C[NH+](CCO)C1 ZINC001043659884 710810510 /nfs/dbraw/zinc/81/05/10/710810510.db2.gz QHRYJGJSRYQSDK-NXEZZACHSA-N 1 2 244.310 0.260 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001044072809 710818170 /nfs/dbraw/zinc/81/81/70/710818170.db2.gz UADFYACSOFQTOI-UHFFFAOYSA-N 1 2 224.264 0.236 20 0 BCADLO CC(C)[C@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044111156 710820653 /nfs/dbraw/zinc/82/06/53/710820653.db2.gz DMLBWSHFEYOOQE-VXGBXAGGSA-N 1 2 240.347 0.413 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044215945 710821324 /nfs/dbraw/zinc/82/13/24/710821324.db2.gz MBCYVTUZBNVZQQ-UHFFFAOYSA-N 1 2 228.336 0.822 20 0 BCADLO C[C@]1(NC(=O)c2cocn2)CC[N@H+](CCF)C1 ZINC001046191857 710853553 /nfs/dbraw/zinc/85/35/53/710853553.db2.gz DOWVRKFEWWJBFS-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO C[C@]1(NC(=O)c2cocn2)CC[N@@H+](CCF)C1 ZINC001046191857 710853556 /nfs/dbraw/zinc/85/35/56/710853556.db2.gz DOWVRKFEWWJBFS-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO CCn1cnc(C[NH2+]Cc2cnn(C)c2)c1 ZINC000902092916 710877817 /nfs/dbraw/zinc/87/78/17/710877817.db2.gz LVFWCFHSXGKWMI-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CCOC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000078302515 710913377 /nfs/dbraw/zinc/91/33/77/710913377.db2.gz LAOXNBQALPPYGT-SECBINFHSA-N 1 2 211.265 0.594 20 0 BCADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC1 ZINC001050781300 710955186 /nfs/dbraw/zinc/95/51/86/710955186.db2.gz QWHDYGNUFBXVQY-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC1 ZINC001050781300 710955187 /nfs/dbraw/zinc/95/51/87/710955187.db2.gz QWHDYGNUFBXVQY-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051061401 710955519 /nfs/dbraw/zinc/95/55/19/710955519.db2.gz MBJVUHUNGAIJPK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051061401 710955521 /nfs/dbraw/zinc/95/55/21/710955521.db2.gz MBJVUHUNGAIJPK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CCCC1 ZINC001050874756 710956664 /nfs/dbraw/zinc/95/66/64/710956664.db2.gz UADAZBDKWLGSMC-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1=CCCC1 ZINC001050874756 710956667 /nfs/dbraw/zinc/95/66/67/710956667.db2.gz UADAZBDKWLGSMC-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058277678 710968017 /nfs/dbraw/zinc/96/80/17/710968017.db2.gz PAAKYLMQTBHGMA-JTQLQIEISA-N 1 2 220.276 0.500 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000388299759 711057369 /nfs/dbraw/zinc/05/73/69/711057369.db2.gz NARPHGGKKAHVBV-YYHMEYGGSA-N 1 2 224.713 0.102 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000388299759 711057371 /nfs/dbraw/zinc/05/73/71/711057371.db2.gz NARPHGGKKAHVBV-YYHMEYGGSA-N 1 2 224.713 0.102 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](O)C1(C)C ZINC000386300788 711028245 /nfs/dbraw/zinc/02/82/45/711028245.db2.gz IJTYYLFYUFLZLZ-SECBINFHSA-N 1 2 247.302 0.713 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387910104 711048405 /nfs/dbraw/zinc/04/84/05/711048405.db2.gz WODWBDIATNOWAH-VIFPVBQESA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387910104 711048408 /nfs/dbraw/zinc/04/84/08/711048408.db2.gz WODWBDIATNOWAH-VIFPVBQESA-N 1 2 210.281 0.018 20 0 BCADLO CC(C)(O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000389284263 711076170 /nfs/dbraw/zinc/07/61/70/711076170.db2.gz ULYDCYJRJMHGDC-JTQLQIEISA-N 1 2 201.266 0.443 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000389594211 711081920 /nfs/dbraw/zinc/08/19/20/711081920.db2.gz OFQKVUOQLJYFEU-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000389594211 711081923 /nfs/dbraw/zinc/08/19/23/711081923.db2.gz OFQKVUOQLJYFEU-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO Nc1ccc(CCC(=O)OCCF)c[nH+]1 ZINC000390004976 711103301 /nfs/dbraw/zinc/10/33/01/711103301.db2.gz VZQVYTGOLLMQEQ-UHFFFAOYSA-N 1 2 212.224 0.939 20 0 BCADLO COCCN1CC[C@@H]([NH2+][C@H](C)C(F)F)C1 ZINC000389914778 711097543 /nfs/dbraw/zinc/09/75/43/711097543.db2.gz MHWSRKBZSJLPHU-RKDXNWHRSA-N 1 2 222.279 0.950 20 0 BCADLO CC[S@](=O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000390136182 711106659 /nfs/dbraw/zinc/10/66/59/711106659.db2.gz MAXODAGMBZHCJJ-INIZCTEOSA-N 1 2 242.300 0.306 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]1CO ZINC000393843082 711177536 /nfs/dbraw/zinc/17/75/36/711177536.db2.gz KOALKVHHGZMPDX-LLVKDONJSA-N 1 2 237.303 0.647 20 0 BCADLO CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncccn2)C1 ZINC001071283162 711184523 /nfs/dbraw/zinc/18/45/23/711184523.db2.gz ULHPZRWLZKEKSG-CMPLNLGQSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncccn2)C1 ZINC001071283162 711184528 /nfs/dbraw/zinc/18/45/28/711184528.db2.gz ULHPZRWLZKEKSG-CMPLNLGQSA-N 1 2 248.330 0.966 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394758716 711197588 /nfs/dbraw/zinc/19/75/88/711197588.db2.gz RODFLOATQSTRGJ-LBPRGKRZSA-N 1 2 237.347 0.459 20 0 BCADLO CC(C)=CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394758716 711197593 /nfs/dbraw/zinc/19/75/93/711197593.db2.gz RODFLOATQSTRGJ-LBPRGKRZSA-N 1 2 237.347 0.459 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC000395377400 711210659 /nfs/dbraw/zinc/21/06/59/711210659.db2.gz RKLDGEWXYGPYBR-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC000395377400 711210660 /nfs/dbraw/zinc/21/06/60/711210660.db2.gz RKLDGEWXYGPYBR-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCC2(C1)OCCO2 ZINC000396565786 711355632 /nfs/dbraw/zinc/35/56/32/711355632.db2.gz AWJPBFSMHVJYRM-KMKOMSMNSA-N 1 2 241.287 0.555 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCC2(C1)OCCO2 ZINC000396565786 711355636 /nfs/dbraw/zinc/35/56/36/711355636.db2.gz AWJPBFSMHVJYRM-KMKOMSMNSA-N 1 2 241.287 0.555 20 0 BCADLO CCCNc1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000398327602 711408407 /nfs/dbraw/zinc/40/84/07/711408407.db2.gz GFQOPGCRMJZMND-VIFPVBQESA-N 1 2 249.318 0.268 20 0 BCADLO CCCNc1cc(NC[C@H]2CNC(=O)C2)[nH+]cn1 ZINC000398327602 711408408 /nfs/dbraw/zinc/40/84/08/711408408.db2.gz GFQOPGCRMJZMND-VIFPVBQESA-N 1 2 249.318 0.268 20 0 BCADLO CNc1cc(N(C)C[C@H]2CCOC2)nc[nH+]1 ZINC000398915172 711418004 /nfs/dbraw/zinc/41/80/04/711418004.db2.gz BLJOLJHVKJPIBO-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N(C)C[C@H]2CCOC2)[nH+]cn1 ZINC000398915172 711418008 /nfs/dbraw/zinc/41/80/08/711418008.db2.gz BLJOLJHVKJPIBO-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nncn1C ZINC000399341570 711429591 /nfs/dbraw/zinc/42/95/91/711429591.db2.gz SXMYNVYBQCHSGK-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nncn1C ZINC000399341570 711429594 /nfs/dbraw/zinc/42/95/94/711429594.db2.gz SXMYNVYBQCHSGK-BDAKNGLRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccncc2)C1 ZINC001042413437 710781530 /nfs/dbraw/zinc/78/15/30/710781530.db2.gz YZMHUXGWVUIBLH-SNVBAGLBSA-N 1 2 249.314 0.219 20 0 BCADLO CCC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053112185 710919395 /nfs/dbraw/zinc/91/93/95/710919395.db2.gz ZZOCWCLSJMZEDH-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053818129 710922042 /nfs/dbraw/zinc/92/20/42/710922042.db2.gz YBFKHCLCURSEHJ-LLVKDONJSA-N 1 2 249.314 0.608 20 0 BCADLO CC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056827484 710949017 /nfs/dbraw/zinc/94/90/17/710949017.db2.gz PJQILIUVWPVPCW-NSHDSACASA-N 1 2 234.303 0.842 20 0 BCADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)C[C@H]1O ZINC000399892794 711436241 /nfs/dbraw/zinc/43/62/41/711436241.db2.gz YRMXWLYBKLXYBN-DTWKUNHWSA-N 1 2 222.292 0.725 20 0 BCADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)C[C@H]1O ZINC000399892794 711436243 /nfs/dbraw/zinc/43/62/43/711436243.db2.gz YRMXWLYBKLXYBN-DTWKUNHWSA-N 1 2 222.292 0.725 20 0 BCADLO c1nnc2cccc(NCC[NH+]3CCOCC3)n12 ZINC000891425772 711514903 /nfs/dbraw/zinc/51/49/03/711514903.db2.gz GEUKYVYFNHNTEQ-UHFFFAOYSA-N 1 2 247.302 0.473 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cncnc1OC ZINC000647168021 711519479 /nfs/dbraw/zinc/51/94/79/711519479.db2.gz CCVAAWNJWIUMQA-QMMMGPOBSA-N 1 2 238.291 0.099 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cncnc1OC ZINC000647168020 711519537 /nfs/dbraw/zinc/51/95/37/711519537.db2.gz CCVAAWNJWIUMQA-MRVPVSSYSA-N 1 2 238.291 0.099 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)n(C)n1 ZINC000724694013 711608567 /nfs/dbraw/zinc/60/85/67/711608567.db2.gz ZOVUGMSQSNGWSC-ZCFIWIBFSA-N 1 2 232.234 0.650 20 0 BCADLO [NH3+][C@H](CC(=O)NCC(F)(F)F)C(F)F ZINC000724730779 711610203 /nfs/dbraw/zinc/61/02/03/711610203.db2.gz VYRBGIKZXBWMSE-GSVOUGTGSA-N 1 2 220.141 0.647 20 0 BCADLO CC[NH2+]Cc1noc([C@@H](C)n2cccn2)n1 ZINC000721363619 711613898 /nfs/dbraw/zinc/61/38/98/711613898.db2.gz KFSRONYGNSCJQK-MRVPVSSYSA-N 1 2 221.264 0.985 20 0 BCADLO OC1CC2(C[C@@H]2Nc2cc[nH+]cc2F)C1 ZINC000724940589 711631972 /nfs/dbraw/zinc/63/19/72/711631972.db2.gz MOSWZSJKKLZQGT-QUVIFTBZSA-N 1 2 208.236 0.968 20 0 BCADLO Cn1nncc1C[NH2+]Cc1cn2ccccc2n1 ZINC000394938232 711691410 /nfs/dbraw/zinc/69/14/10/711691410.db2.gz AKVWGMVREPRVRY-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CNc1cc(N2CCOC[C@H](C)C2)nc[nH+]1 ZINC000399533116 711752369 /nfs/dbraw/zinc/75/23/69/711752369.db2.gz SZDNNKQJUJKJIU-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N2CCOC[C@H](C)C2)[nH+]cn1 ZINC000399533116 711752370 /nfs/dbraw/zinc/75/23/70/711752370.db2.gz SZDNNKQJUJKJIU-SECBINFHSA-N 1 2 222.292 0.991 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000929138249 711798409 /nfs/dbraw/zinc/79/84/09/711798409.db2.gz JWYCRDOVMHHDIF-JTQLQIEISA-N 1 2 224.260 0.874 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000929138249 711798410 /nfs/dbraw/zinc/79/84/10/711798410.db2.gz JWYCRDOVMHHDIF-JTQLQIEISA-N 1 2 224.260 0.874 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CSC1 ZINC000898504965 711801718 /nfs/dbraw/zinc/80/17/18/711801718.db2.gz VVTVVEBPQUWXKD-JTQLQIEISA-N 1 2 246.351 0.900 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CSC1 ZINC000898504965 711801719 /nfs/dbraw/zinc/80/17/19/711801719.db2.gz VVTVVEBPQUWXKD-JTQLQIEISA-N 1 2 246.351 0.900 20 0 BCADLO CC[S@](=O)CC[NH2+]Cc1ncc(C)o1 ZINC000700402425 711803072 /nfs/dbraw/zinc/80/30/72/711803072.db2.gz JUJTVDMVHUYHTG-AWEZNQCLSA-N 1 2 216.306 0.841 20 0 BCADLO CC(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001076753484 711808436 /nfs/dbraw/zinc/80/84/36/711808436.db2.gz LVAHHMLWIVGHOE-HWKXXFMVSA-N 1 2 246.738 0.556 20 0 BCADLO CC(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001076753484 711808437 /nfs/dbraw/zinc/80/84/37/711808437.db2.gz LVAHHMLWIVGHOE-HWKXXFMVSA-N 1 2 246.738 0.556 20 0 BCADLO CC[C@@H](C[NH+]1CC(NC(=O)C(F)F)C1)OC ZINC001030038261 711825738 /nfs/dbraw/zinc/82/57/38/711825738.db2.gz LLHBXOFEZKVBPG-QMMMGPOBSA-N 1 2 236.262 0.477 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030090284 711826207 /nfs/dbraw/zinc/82/62/07/711826207.db2.gz SINBMUWCKXOPAX-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)n2cccn2)C1 ZINC001030122360 711826877 /nfs/dbraw/zinc/82/68/77/711826877.db2.gz XNRBGZDJEVXCJJ-VIFPVBQESA-N 1 2 222.292 0.264 20 0 BCADLO C[C@@]1(C(=O)NC2C[NH+](CCCO)C2)C=CCC1 ZINC001030798865 711843009 /nfs/dbraw/zinc/84/30/09/711843009.db2.gz ULVUPZWSKNNTBK-CYBMUJFWSA-N 1 2 238.331 0.526 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)c2cncnc2)C1 ZINC001030839207 711844570 /nfs/dbraw/zinc/84/45/70/711844570.db2.gz ZZOKNVQAAJMMKF-SECBINFHSA-N 1 2 234.303 0.400 20 0 BCADLO CNC(=O)c1cc(NCc2c[nH+]cn2C)ccn1 ZINC000388488979 711885237 /nfs/dbraw/zinc/88/52/37/711885237.db2.gz FJJNOVBJJLNOBZ-UHFFFAOYSA-N 1 2 245.286 0.209 20 0 BCADLO Cn1c[nH+]cc1CNc1cncc(OCCO)n1 ZINC000357609338 711950052 /nfs/dbraw/zinc/95/00/52/711950052.db2.gz VCYALESISFBEAD-UHFFFAOYSA-N 1 2 249.274 0.193 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC001032846706 711962295 /nfs/dbraw/zinc/96/22/95/711962295.db2.gz FZTUHQBEHLQGMO-VIFPVBQESA-N 1 2 240.332 0.591 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001032846706 711962296 /nfs/dbraw/zinc/96/22/96/711962296.db2.gz FZTUHQBEHLQGMO-VIFPVBQESA-N 1 2 240.332 0.591 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC(=O)O1 ZINC000922541531 711973834 /nfs/dbraw/zinc/97/38/34/711973834.db2.gz KQHVANAMUPSVNI-MRVPVSSYSA-N 1 2 236.227 0.413 20 0 BCADLO CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnon2)C1 ZINC001034070210 712038592 /nfs/dbraw/zinc/03/85/92/712038592.db2.gz RPOZRIWRWYOIQL-SNVBAGLBSA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnon2)C1 ZINC001034070210 712038594 /nfs/dbraw/zinc/03/85/94/712038594.db2.gz RPOZRIWRWYOIQL-SNVBAGLBSA-N 1 2 238.291 0.560 20 0 BCADLO CO[C@@](C)(CO)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000702531757 712055119 /nfs/dbraw/zinc/05/51/19/712055119.db2.gz LKQGVFKICDKZJJ-ZYHUDNBSSA-N 1 2 239.319 0.774 20 0 BCADLO OC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@H]1CO ZINC000705298874 712127776 /nfs/dbraw/zinc/12/77/76/712127776.db2.gz JQNLFBNSAPIOKQ-WEUGOEDWSA-N 1 2 240.130 0.838 20 0 BCADLO OC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1CO ZINC000705298874 712127777 /nfs/dbraw/zinc/12/77/77/712127777.db2.gz JQNLFBNSAPIOKQ-WEUGOEDWSA-N 1 2 240.130 0.838 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706172813 712141339 /nfs/dbraw/zinc/14/13/39/712141339.db2.gz BKUSEAOZFLGZLQ-MRVPVSSYSA-N 1 2 247.726 0.249 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1cc(Cl)n(C)n1 ZINC000706172813 712141340 /nfs/dbraw/zinc/14/13/40/712141340.db2.gz BKUSEAOZFLGZLQ-MRVPVSSYSA-N 1 2 247.726 0.249 20 0 BCADLO Cc1nc(N2CCC[C@@H](CF)C2)nc(N)[nH+]1 ZINC000711430121 712299594 /nfs/dbraw/zinc/29/95/94/712299594.db2.gz KMUCJUWRLRMTCA-QMMMGPOBSA-N 1 2 225.271 0.948 20 0 BCADLO Cc1nc(N2CCC[C@@H](CO)CC2)nc(N)[nH+]1 ZINC000378823948 712362378 /nfs/dbraw/zinc/36/23/78/712362378.db2.gz OEQPHRBLDOKPSI-SECBINFHSA-N 1 2 237.307 0.191 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000379666970 712392137 /nfs/dbraw/zinc/39/21/37/712392137.db2.gz YESYCCRWRPXBDH-ONRRBMGISA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000379666970 712392138 /nfs/dbraw/zinc/39/21/38/712392138.db2.gz YESYCCRWRPXBDH-ONRRBMGISA-N 1 2 240.303 0.316 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)CC(C)(C)O1 ZINC000065425005 712392585 /nfs/dbraw/zinc/39/25/85/712392585.db2.gz DLXJBIXTEOSCNB-SNVBAGLBSA-N 1 2 239.319 0.516 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CC(C)(C)O1 ZINC000065425005 712392586 /nfs/dbraw/zinc/39/25/86/712392586.db2.gz DLXJBIXTEOSCNB-SNVBAGLBSA-N 1 2 239.319 0.516 20 0 BCADLO Cn1nccc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724693988 712392605 /nfs/dbraw/zinc/39/26/05/712392605.db2.gz YXYRJEODIKXPFO-SSDOTTSWSA-N 1 2 232.234 0.019 20 0 BCADLO CCCn1cc(C[NH2+][C@H](CC)C(=O)NC)nn1 ZINC000714511760 712493810 /nfs/dbraw/zinc/49/38/10/712493810.db2.gz CNCHYLDRGRZIQK-SNVBAGLBSA-N 1 2 239.323 0.302 20 0 BCADLO CCn1cc(C[NH2+][C@@H]2CC(=O)N(CC)C2)nn1 ZINC000714909242 712499042 /nfs/dbraw/zinc/49/90/42/712499042.db2.gz PAYRMHHNAPDKJO-SECBINFHSA-N 1 2 237.307 0.008 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715899815 712541087 /nfs/dbraw/zinc/54/10/87/712541087.db2.gz CJSVYXFWWZDYDQ-SECBINFHSA-N 1 2 239.323 0.334 20 0 BCADLO CS(=O)(=O)C1CC([NH2+]Cc2ccon2)C1 ZINC000716059025 712549348 /nfs/dbraw/zinc/54/93/48/712549348.db2.gz CWAMVTLXVNXWHV-UHFFFAOYSA-N 1 2 230.289 0.340 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC2OCCCO2)n1 ZINC000716369926 712556983 /nfs/dbraw/zinc/55/69/83/712556983.db2.gz DYKBBVLAXJXUBJ-UHFFFAOYSA-N 1 2 211.265 0.571 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCc1ncccn1 ZINC000813072065 712587465 /nfs/dbraw/zinc/58/74/65/712587465.db2.gz FINIVMLDVHPBAA-UHFFFAOYSA-N 1 2 246.270 0.886 20 0 BCADLO CCCOC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000858953149 712617420 /nfs/dbraw/zinc/61/74/20/712617420.db2.gz RSQLALVBYHYCPE-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC000880523638 712633581 /nfs/dbraw/zinc/63/35/81/712633581.db2.gz JQCKQSHVRMVCEO-CMPLNLGQSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC000880523638 712633582 /nfs/dbraw/zinc/63/35/82/712633582.db2.gz JQCKQSHVRMVCEO-CMPLNLGQSA-N 1 2 248.330 0.521 20 0 BCADLO C[C@@H](O)[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000717388009 712653157 /nfs/dbraw/zinc/65/31/57/712653157.db2.gz OKQKXEQWEGKAGJ-PRHODGIISA-N 1 2 235.287 0.394 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](O)[C@H](C)O ZINC000717387769 712653336 /nfs/dbraw/zinc/65/33/36/712653336.db2.gz UGTCLKFKBFJOFD-JGVFFNPUSA-N 1 2 212.249 0.244 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000380013868 712669913 /nfs/dbraw/zinc/66/99/13/712669913.db2.gz SOUUPOGIYNMREA-SCZZXKLOSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000718476238 712766723 /nfs/dbraw/zinc/76/67/23/712766723.db2.gz CRQJAUAZEBJGOF-DTWKUNHWSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000718476241 712766782 /nfs/dbraw/zinc/76/67/82/712766782.db2.gz CRQJAUAZEBJGOF-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000718560764 712772519 /nfs/dbraw/zinc/77/25/19/712772519.db2.gz UFIYKMOYOYHGEC-WPRPVWTQSA-N 1 2 235.287 0.705 20 0 BCADLO C([NH2+][C@H]1CNOC1)c1nc2c(s1)CCC2 ZINC000719573971 712814419 /nfs/dbraw/zinc/81/44/19/712814419.db2.gz FSXDKPWCFYWRAQ-ZETCQYMHSA-N 1 2 225.317 0.625 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nocc1C ZINC000720352968 712833284 /nfs/dbraw/zinc/83/32/84/712833284.db2.gz RMSXRPCANLNGGL-SNVBAGLBSA-N 1 2 214.265 0.470 20 0 BCADLO Cc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)no1 ZINC000720402024 712839757 /nfs/dbraw/zinc/83/97/57/712839757.db2.gz GLQPXISHYMJWGB-UHFFFAOYSA-N 1 2 244.316 0.650 20 0 BCADLO Cc1conc1C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000720421666 712842025 /nfs/dbraw/zinc/84/20/25/712842025.db2.gz JCHURDWQWQVPLE-LLVKDONJSA-N 1 2 225.292 0.973 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC2)cn1 ZINC001037981039 712896405 /nfs/dbraw/zinc/89/64/05/712896405.db2.gz PQXVXSPTHFGJON-LBPRGKRZSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)C2CC2)cn1 ZINC001037981039 712896406 /nfs/dbraw/zinc/89/64/06/712896406.db2.gz PQXVXSPTHFGJON-LBPRGKRZSA-N 1 2 248.330 0.521 20 0 BCADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602130656 349458186 /nfs/dbraw/zinc/45/81/86/349458186.db2.gz OJGKGUPAMWKVRL-XQJJYNOISA-N 1 2 246.376 0.354 20 0 BCADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602130656 349458191 /nfs/dbraw/zinc/45/81/91/349458191.db2.gz OJGKGUPAMWKVRL-XQJJYNOISA-N 1 2 246.376 0.354 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)[nH]1 ZINC000340582824 398147592 /nfs/dbraw/zinc/14/75/92/398147592.db2.gz CPJINXYUMIHUKP-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)[nH]1 ZINC000340582824 398147595 /nfs/dbraw/zinc/14/75/95/398147595.db2.gz CPJINXYUMIHUKP-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCO)n1C ZINC000649866170 398149014 /nfs/dbraw/zinc/14/90/14/398149014.db2.gz MMSDQOSTMIRDSR-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H](C)CCO)n1C ZINC000649866170 398149015 /nfs/dbraw/zinc/14/90/15/398149015.db2.gz MMSDQOSTMIRDSR-QMMMGPOBSA-N 1 2 212.297 0.326 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649867806 398150841 /nfs/dbraw/zinc/15/08/41/398150841.db2.gz SHLHNHPCIOVPRP-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649867806 398150843 /nfs/dbraw/zinc/15/08/43/398150843.db2.gz SHLHNHPCIOVPRP-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)on1 ZINC000268420507 178006201 /nfs/dbraw/zinc/00/62/01/178006201.db2.gz GMLABJISSYBHMN-SCZZXKLOSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)on1 ZINC000268420507 178006203 /nfs/dbraw/zinc/00/62/03/178006203.db2.gz GMLABJISSYBHMN-SCZZXKLOSA-N 1 2 239.275 0.058 20 0 BCADLO COCCc1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649871058 398153320 /nfs/dbraw/zinc/15/33/20/398153320.db2.gz QQGQNGDNCFDQLT-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649871058 398153323 /nfs/dbraw/zinc/15/33/23/398153323.db2.gz QQGQNGDNCFDQLT-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649871059 398153357 /nfs/dbraw/zinc/15/33/57/398153357.db2.gz QQGQNGDNCFDQLT-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649871059 398153359 /nfs/dbraw/zinc/15/33/59/398153359.db2.gz QQGQNGDNCFDQLT-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000649869342 398154266 /nfs/dbraw/zinc/15/42/66/398154266.db2.gz ATDZKWQLZNFLLQ-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000649869342 398154267 /nfs/dbraw/zinc/15/42/67/398154267.db2.gz ATDZKWQLZNFLLQ-SNVBAGLBSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000649869629 398156002 /nfs/dbraw/zinc/15/60/02/398156002.db2.gz IRBICHWRVOGADV-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000649869629 398156006 /nfs/dbraw/zinc/15/60/06/398156006.db2.gz IRBICHWRVOGADV-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO Cc1cc(C[NH2+]C[C@H](O)C(F)(F)F)no1 ZINC000004389315 178025461 /nfs/dbraw/zinc/02/54/61/178025461.db2.gz PFGYVCNVXKRYLH-ZETCQYMHSA-N 1 2 224.182 0.996 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCOC1 ZINC000109888919 136215519 /nfs/dbraw/zinc/21/55/19/136215519.db2.gz GHXIPKPBWXRMIP-SSDOTTSWSA-N 1 2 208.217 0.762 20 0 BCADLO Cc1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)no1 ZINC000193603789 178038533 /nfs/dbraw/zinc/03/85/33/178038533.db2.gz WRFDUIFUMJQJFU-OIBJUYFYSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)no1 ZINC000193603761 178038668 /nfs/dbraw/zinc/03/86/68/178038668.db2.gz WRFDUIFUMJQJFU-GMSGAONNSA-N 1 2 223.276 0.597 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1nc[nH+]c(N)c1Cl ZINC000308833939 136216573 /nfs/dbraw/zinc/21/65/73/136216573.db2.gz KKTVLRXTIPGONY-RITPCOANSA-N 1 2 228.683 0.672 20 0 BCADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)C(N)=O ZINC000353328258 398183626 /nfs/dbraw/zinc/18/36/26/398183626.db2.gz HOPHVGQMDSDVNT-ZETCQYMHSA-N 1 2 247.258 0.330 20 0 BCADLO CCN1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175060283 365526056 /nfs/dbraw/zinc/52/60/56/365526056.db2.gz GZOATWMKNXLGDV-GFCCVEGCSA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882792 398163194 /nfs/dbraw/zinc/16/31/94/398163194.db2.gz CKYCZZGUUPSGKA-JQWIXIFHSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882792 398163197 /nfs/dbraw/zinc/16/31/97/398163197.db2.gz CKYCZZGUUPSGKA-JQWIXIFHSA-N 1 2 239.319 0.564 20 0 BCADLO Cc1c[nH]c(CN(C)CC(=O)N(C)C)[nH+]1 ZINC000628120631 398166975 /nfs/dbraw/zinc/16/69/75/398166975.db2.gz XEDHWMBXMAMILX-UHFFFAOYSA-N 1 2 210.281 0.238 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000342141005 398189185 /nfs/dbraw/zinc/18/91/85/398189185.db2.gz ZETRDEFPYFHFAC-LLVKDONJSA-N 1 2 236.319 0.354 20 0 BCADLO Cc1cnn(CC[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000342141005 398189189 /nfs/dbraw/zinc/18/91/89/398189189.db2.gz ZETRDEFPYFHFAC-LLVKDONJSA-N 1 2 236.319 0.354 20 0 BCADLO CCc1cc(N2CCOCCN2)[nH+]c(C)n1 ZINC000408456962 398191144 /nfs/dbraw/zinc/19/11/44/398191144.db2.gz MPMWSPIDKMJPKW-UHFFFAOYSA-N 1 2 222.292 0.689 20 0 BCADLO Cc1cc(N(C)CC2(O)CCOCC2)nc[nH+]1 ZINC000162177077 178096906 /nfs/dbraw/zinc/09/69/06/178096906.db2.gz QWTIPBUYOMWYTR-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO C[C@H](CO)CNc1nc[nH+]c(N)c1Cl ZINC000235463995 398194093 /nfs/dbraw/zinc/19/40/93/398194093.db2.gz HEAILEHZTSRONP-YFKPBYRVSA-N 1 2 216.672 0.753 20 0 BCADLO C[C@H](CO)CNc1[nH+]cnc(N)c1Cl ZINC000235463995 398194097 /nfs/dbraw/zinc/19/40/97/398194097.db2.gz HEAILEHZTSRONP-YFKPBYRVSA-N 1 2 216.672 0.753 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290012 192027364 /nfs/dbraw/zinc/02/73/64/192027364.db2.gz DDOKRFUDCPAHLY-BDAKNGLRSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290012 192027366 /nfs/dbraw/zinc/02/73/66/192027366.db2.gz DDOKRFUDCPAHLY-BDAKNGLRSA-N 1 2 222.292 0.730 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161868831 349516608 /nfs/dbraw/zinc/51/66/08/349516608.db2.gz UZXOXIJUACAXKQ-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccon1 ZINC000162300091 538922117 /nfs/dbraw/zinc/92/21/17/538922117.db2.gz DHDGUSUFIIETEK-QMMMGPOBSA-N 1 2 232.305 0.587 20 0 BCADLO Cc1cc(N)nc(S[C@H]2CCCNC2=O)[nH+]1 ZINC000309242579 178108930 /nfs/dbraw/zinc/10/89/30/178108930.db2.gz BBTQUPGQJOFMEL-ZETCQYMHSA-N 1 2 238.316 0.738 20 0 BCADLO Cc1cc(N2C[C@@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000302724846 178120959 /nfs/dbraw/zinc/12/09/59/178120959.db2.gz OEYLKARAZUZHRP-SCZZXKLOSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1cc(NC(=O)C2(NC(N)=O)CC2)cc[nH+]1 ZINC000270994404 178124868 /nfs/dbraw/zinc/12/48/68/178124868.db2.gz IZOOJPAZMGNFOJ-UHFFFAOYSA-N 1 2 234.259 0.529 20 0 BCADLO Cc1cc(NC(=O)NCC(=O)N(C)C)cc[nH+]1 ZINC000119442839 178139663 /nfs/dbraw/zinc/13/96/63/178139663.db2.gz LJTAOQWYCLVKAL-UHFFFAOYSA-N 1 2 236.275 0.600 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000178012895 178130463 /nfs/dbraw/zinc/13/04/63/178130463.db2.gz NWBYGIYFFTYOSR-LLVKDONJSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000178012895 178130466 /nfs/dbraw/zinc/13/04/66/178130466.db2.gz NWBYGIYFFTYOSR-LLVKDONJSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000109830606 178130698 /nfs/dbraw/zinc/13/06/98/178130698.db2.gz RKTUWOJXDDVKMU-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CO)C2)on1 ZINC000051887954 178131167 /nfs/dbraw/zinc/13/11/67/178131167.db2.gz CLUKUAISEBNYDU-VIFPVBQESA-N 1 2 239.275 0.236 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](CO)C2)on1 ZINC000051887954 178131171 /nfs/dbraw/zinc/13/11/71/178131171.db2.gz CLUKUAISEBNYDU-VIFPVBQESA-N 1 2 239.275 0.236 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)on1 ZINC000351815705 178131720 /nfs/dbraw/zinc/13/17/20/178131720.db2.gz WVUFYDHKILUSRC-IONNQARKSA-N 1 2 239.275 0.234 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)on1 ZINC000351815705 178131723 /nfs/dbraw/zinc/13/17/23/178131723.db2.gz WVUFYDHKILUSRC-IONNQARKSA-N 1 2 239.275 0.234 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCOC[C@H]1CO ZINC000261168239 398206473 /nfs/dbraw/zinc/20/64/73/398206473.db2.gz ZCHKOEWDPRCAIR-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCOC[C@H]1CO ZINC000261168239 398206477 /nfs/dbraw/zinc/20/64/77/398206477.db2.gz ZCHKOEWDPRCAIR-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)on1 ZINC000340913822 178133071 /nfs/dbraw/zinc/13/30/71/178133071.db2.gz HCVPFZVZDFEODZ-IUCAKERBSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)on1 ZINC000340913822 178133072 /nfs/dbraw/zinc/13/30/72/178133072.db2.gz HCVPFZVZDFEODZ-IUCAKERBSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)N2CCNC(=O)[C@H]2C)cc[nH+]1 ZINC000119194433 178137132 /nfs/dbraw/zinc/13/71/32/178137132.db2.gz NQCHJLLXCLQTRO-SECBINFHSA-N 1 2 248.286 0.742 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@H](O)C2)cc[nH+]1 ZINC000181263025 178137705 /nfs/dbraw/zinc/13/77/05/178137705.db2.gz LQWFSGBHWPJSBY-SNVBAGLBSA-N 1 2 221.260 0.989 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000331310929 398218941 /nfs/dbraw/zinc/21/89/41/398218941.db2.gz UUYQHGKRDDSPGJ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000331310929 398218943 /nfs/dbraw/zinc/21/89/43/398218943.db2.gz UUYQHGKRDDSPGJ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cc1cc(NCC2(CO)COC2)nc[nH+]1 ZINC000309222473 178156691 /nfs/dbraw/zinc/15/66/91/178156691.db2.gz VLPHWCIYTVFSQQ-UHFFFAOYSA-N 1 2 209.249 0.206 20 0 BCADLO Cc1cc(N2CC(C)(C(N)=O)C2)nc[nH+]1 ZINC000573202356 398212448 /nfs/dbraw/zinc/21/24/48/398212448.db2.gz XDYFOVCADHYVBK-UHFFFAOYSA-N 1 2 206.249 0.097 20 0 BCADLO Cc1cc(NC[C@@H](O)C2CCOCC2)nc[nH+]1 ZINC000301332526 178164599 /nfs/dbraw/zinc/16/45/99/178164599.db2.gz MEDBGLZTQVTPGV-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO Cc1cc(NC[C@@H](O)COCC2CC2)nc[nH+]1 ZINC000301242012 178164684 /nfs/dbraw/zinc/16/46/84/178164684.db2.gz ORZVPQOMCKWONB-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nnc1C ZINC000302252154 178166377 /nfs/dbraw/zinc/16/63/77/178166377.db2.gz AQJHVLRELRKTLY-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nnc1C ZINC000302252154 178166378 /nfs/dbraw/zinc/16/63/78/178166378.db2.gz AQJHVLRELRKTLY-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(NC[C@H](O)C2CCOCC2)nc[nH+]1 ZINC000301332527 178169028 /nfs/dbraw/zinc/16/90/28/178169028.db2.gz MEDBGLZTQVTPGV-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1snnc1C ZINC000576455958 365599648 /nfs/dbraw/zinc/59/96/48/365599648.db2.gz NOEAARGSFCHRIR-UHFFFAOYSA-N 1 2 242.348 0.934 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1snnc1C ZINC000576455958 365599659 /nfs/dbraw/zinc/59/96/59/365599659.db2.gz NOEAARGSFCHRIR-UHFFFAOYSA-N 1 2 242.348 0.934 20 0 BCADLO Cc1cc(NCc2nc(N(C)C)no2)nc[nH+]1 ZINC000302551011 178176398 /nfs/dbraw/zinc/17/63/98/178176398.db2.gz JWOCMMILPJPPAE-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO Cc1cc(N[C@H](C)Cn2cncn2)nc[nH+]1 ZINC000301223444 178185822 /nfs/dbraw/zinc/18/58/22/178185822.db2.gz DEGVFNMPKUBUSG-SECBINFHSA-N 1 2 218.264 0.877 20 0 BCADLO CN(CCn1cccn1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276408533 538932588 /nfs/dbraw/zinc/93/25/88/538932588.db2.gz IJGZNKLDHJQAER-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO CN(CCn1cccn1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276408533 538932589 /nfs/dbraw/zinc/93/25/89/538932589.db2.gz IJGZNKLDHJQAER-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@@H](C)O ZINC000387316085 398229411 /nfs/dbraw/zinc/22/94/11/398229411.db2.gz BWUWJYAQEAFVNW-VDTYLAMSSA-N 1 2 211.269 0.164 20 0 BCADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)[C@@H](C)O ZINC000387316085 398229414 /nfs/dbraw/zinc/22/94/14/398229414.db2.gz BWUWJYAQEAFVNW-VDTYLAMSSA-N 1 2 211.269 0.164 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276475607 538932694 /nfs/dbraw/zinc/93/26/94/538932694.db2.gz RDQYAIHDXRBLRM-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276475607 538932695 /nfs/dbraw/zinc/93/26/95/538932695.db2.gz RDQYAIHDXRBLRM-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC(=O)N1 ZINC000223244619 398232023 /nfs/dbraw/zinc/23/20/23/398232023.db2.gz BFORPUHNFGRBNQ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCC(=O)N1 ZINC000223244619 398232030 /nfs/dbraw/zinc/23/20/30/398232030.db2.gz BFORPUHNFGRBNQ-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000164614630 538933843 /nfs/dbraw/zinc/93/38/43/538933843.db2.gz MPQNUWNWKUDNHS-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000164614630 538933844 /nfs/dbraw/zinc/93/38/44/538933844.db2.gz MPQNUWNWKUDNHS-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H](O)C(F)(F)F ZINC000631233502 361765695 /nfs/dbraw/zinc/76/56/95/361765695.db2.gz APLISXNCLSGOKZ-POYBYMJQSA-N 1 2 237.225 0.821 20 0 BCADLO COC(=O)c1csc(C[N@H+](C)CC(N)=O)c1 ZINC000602439475 349526338 /nfs/dbraw/zinc/52/63/38/349526338.db2.gz CZUSILBBZNGHGL-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO COC(=O)c1csc(C[N@@H+](C)CC(N)=O)c1 ZINC000602439475 349526341 /nfs/dbraw/zinc/52/63/41/349526341.db2.gz CZUSILBBZNGHGL-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO COC(=O)C[N@H+](C)CC(C)(C)N1CCOCC1 ZINC000602442270 349527344 /nfs/dbraw/zinc/52/73/44/349527344.db2.gz KAIAWXXOOUXRES-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC000602442270 349527348 /nfs/dbraw/zinc/52/73/48/349527348.db2.gz KAIAWXXOOUXRES-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cn[nH]c1 ZINC000629947250 361794984 /nfs/dbraw/zinc/79/49/84/361794984.db2.gz JVYKISDRTLUYFQ-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cn[nH]c1 ZINC000629947248 361795569 /nfs/dbraw/zinc/79/55/69/361795569.db2.gz JVYKISDRTLUYFQ-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO CCN(CCOC)C(=O)CCc1c[nH+]c[nH]1 ZINC000280969589 538938375 /nfs/dbraw/zinc/93/83/75/538938375.db2.gz SXZHLDZEHWDJKI-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CCN(CCOC)C(=O)CCc1c[nH]c[nH+]1 ZINC000280969589 538938376 /nfs/dbraw/zinc/93/83/76/538938376.db2.gz SXZHLDZEHWDJKI-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC(=O)NC(C)C ZINC000181836537 398238939 /nfs/dbraw/zinc/23/89/39/398238939.db2.gz IFIFSJHTDXXAAR-UHFFFAOYSA-N 1 2 248.290 0.393 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000285647260 538941757 /nfs/dbraw/zinc/94/17/57/538941757.db2.gz MAUUGQIGGOMFTQ-SFYZADRCSA-N 1 2 210.281 0.585 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000576467187 365603471 /nfs/dbraw/zinc/60/34/71/365603471.db2.gz GYSQZBBRXNGBHG-BDAKNGLRSA-N 1 2 237.307 0.067 20 0 BCADLO Cn1nnnc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000576467187 365603473 /nfs/dbraw/zinc/60/34/73/365603473.db2.gz GYSQZBBRXNGBHG-BDAKNGLRSA-N 1 2 237.307 0.067 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccncc1F ZINC000083094265 349533056 /nfs/dbraw/zinc/53/30/56/349533056.db2.gz WSBVKDKMNDGFTG-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO COc1cc(NCc2c[nH+]cn2C)nn1C ZINC000300780341 323004107 /nfs/dbraw/zinc/00/41/07/323004107.db2.gz QVWDSZXOBTXKCJ-UHFFFAOYSA-N 1 2 221.264 0.774 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)no1 ZINC000522996746 259309042 /nfs/dbraw/zinc/30/90/42/259309042.db2.gz ACXFZHIICBIGRS-UHFFFAOYSA-N 1 2 234.259 0.886 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000576595892 365635171 /nfs/dbraw/zinc/63/51/71/365635171.db2.gz QQIYZMVGKAXCAD-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000576595892 365635178 /nfs/dbraw/zinc/63/51/78/365635178.db2.gz QQIYZMVGKAXCAD-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC000194597854 398253953 /nfs/dbraw/zinc/25/39/53/398253953.db2.gz FTIFFORQMRZWGP-UHFFFAOYSA-N 1 2 239.275 0.079 20 0 BCADLO Cc1cnn(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000580902859 398250960 /nfs/dbraw/zinc/25/09/60/398250960.db2.gz NSUNVOKSBZIGQM-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO COC[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000576632833 365643786 /nfs/dbraw/zinc/64/37/86/365643786.db2.gz JQZFYXNVADNGEB-VIFPVBQESA-N 1 2 211.265 0.282 20 0 BCADLO CC[C@H](C)[C@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000381272446 398249590 /nfs/dbraw/zinc/24/95/90/398249590.db2.gz IEYOTFFNAGXDRE-IUCAKERBSA-N 1 2 227.312 0.361 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)CCCO1 ZINC000291159881 538947612 /nfs/dbraw/zinc/94/76/12/538947612.db2.gz HTCAVUSBXSMUAR-NSHDSACASA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC(F)(F)F ZINC000290076364 538946073 /nfs/dbraw/zinc/94/60/73/538946073.db2.gz BTRWKRSNLZCRLJ-UHFFFAOYSA-N 1 2 236.197 0.782 20 0 BCADLO COc1cc(C(=O)NCc2c[nH+]cn2C)nn1C ZINC000291152753 538947522 /nfs/dbraw/zinc/94/75/22/538947522.db2.gz HBBUMCVWTLXMEV-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1c[nH+]cn1C ZINC000291335068 538947529 /nfs/dbraw/zinc/94/75/29/538947529.db2.gz VZWGRNOZKVTBCS-LLVKDONJSA-N 1 2 225.292 0.851 20 0 BCADLO CCCOCC(=O)NCc1c[nH+]cn1C ZINC000291223236 538947533 /nfs/dbraw/zinc/94/75/33/538947533.db2.gz NAJCXARVTBUVNG-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO C[N@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000098130056 398261595 /nfs/dbraw/zinc/26/15/95/398261595.db2.gz RTZFSYCUNZFSJN-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000098130056 398261597 /nfs/dbraw/zinc/26/15/97/398261597.db2.gz RTZFSYCUNZFSJN-JTQLQIEISA-N 1 2 243.332 0.002 20 0 BCADLO COC(=O)c1cc(C[N@@H+]2CCCOCC2)on1 ZINC000602452104 349552856 /nfs/dbraw/zinc/55/28/56/349552856.db2.gz HNOLJCCHFYGFKZ-UHFFFAOYSA-N 1 2 240.259 0.684 20 0 BCADLO COC(=O)c1cc(C[N@H+]2CCCOCC2)on1 ZINC000602452104 349552859 /nfs/dbraw/zinc/55/28/59/349552859.db2.gz HNOLJCCHFYGFKZ-UHFFFAOYSA-N 1 2 240.259 0.684 20 0 BCADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)NC(N)=O ZINC000066864571 361826558 /nfs/dbraw/zinc/82/65/58/361826558.db2.gz IRPOFYNYFRBTBK-MRVPVSSYSA-N 1 2 236.275 0.060 20 0 BCADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)NC(N)=O ZINC000066864571 361826563 /nfs/dbraw/zinc/82/65/63/361826563.db2.gz IRPOFYNYFRBTBK-MRVPVSSYSA-N 1 2 236.275 0.060 20 0 BCADLO CN(CCCCO)c1cc(CO)cc[nH+]1 ZINC000384968702 398260306 /nfs/dbraw/zinc/26/03/06/398260306.db2.gz RKNSWQQWVLMRJW-UHFFFAOYSA-N 1 2 210.277 0.783 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1c[nH]cn1 ZINC000576764666 365680953 /nfs/dbraw/zinc/68/09/53/365680953.db2.gz AIYXDEXPHGJTRQ-NSHDSACASA-N 1 2 220.276 0.264 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1c[nH]cn1 ZINC000576764666 365680956 /nfs/dbraw/zinc/68/09/56/365680956.db2.gz AIYXDEXPHGJTRQ-NSHDSACASA-N 1 2 220.276 0.264 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000291538795 538947868 /nfs/dbraw/zinc/94/78/68/538947868.db2.gz XFDVFIZPMIQOMO-JTQLQIEISA-N 1 2 237.303 0.994 20 0 BCADLO Cc1nc(NCCC[S@](C)=O)cc[nH+]1 ZINC000127184654 343998448 /nfs/dbraw/zinc/99/84/48/343998448.db2.gz VRLMFFCHPUBIKM-CQSZACIVSA-N 1 2 213.306 0.966 20 0 BCADLO COC(=O)C[N@H+](Cc1ccc(=O)[nH]c1)C1CC1 ZINC000602487588 349569474 /nfs/dbraw/zinc/56/94/74/349569474.db2.gz WXWPNVLMSQCCOJ-UHFFFAOYSA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)C[N@@H+](Cc1ccc(=O)[nH]c1)C1CC1 ZINC000602487588 349569477 /nfs/dbraw/zinc/56/94/77/349569477.db2.gz WXWPNVLMSQCCOJ-UHFFFAOYSA-N 1 2 236.271 0.925 20 0 BCADLO COC[C@]1(C)C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000626177791 346840332 /nfs/dbraw/zinc/84/03/32/346840332.db2.gz WGNPRCSDNQAMPG-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@]1(C)C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000626177791 346840336 /nfs/dbraw/zinc/84/03/36/346840336.db2.gz WGNPRCSDNQAMPG-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@]1(C)C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000626177791 346840337 /nfs/dbraw/zinc/84/03/37/346840337.db2.gz WGNPRCSDNQAMPG-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO COC[C@]1(C)C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000626177791 346840341 /nfs/dbraw/zinc/84/03/41/346840341.db2.gz WGNPRCSDNQAMPG-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO CCC[C@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473770 398272523 /nfs/dbraw/zinc/27/25/23/398272523.db2.gz DXINSURFKNIPCO-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473770 398272525 /nfs/dbraw/zinc/27/25/25/398272525.db2.gz DXINSURFKNIPCO-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000183669768 346853681 /nfs/dbraw/zinc/85/36/81/346853681.db2.gz QQMUQXYTZMLSFX-AEJSXWLSSA-N 1 2 233.308 0.171 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1nccn1C ZINC000181287890 538960340 /nfs/dbraw/zinc/96/03/40/538960340.db2.gz PTFWZVBYTGPSHL-VIFPVBQESA-N 1 2 236.319 0.597 20 0 BCADLO C[NH+](C)CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000622690148 342684982 /nfs/dbraw/zinc/68/49/82/342684982.db2.gz HRBZLMQYZDHGCY-UHFFFAOYSA-N 1 2 239.323 0.280 20 0 BCADLO COCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044534981 398276044 /nfs/dbraw/zinc/27/60/44/398276044.db2.gz LWIPXGVPEXESLS-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COC(=O)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600111687 342670320 /nfs/dbraw/zinc/67/03/20/342670320.db2.gz KKVIGRUXGYINGC-UHFFFAOYSA-N 1 2 211.265 0.631 20 0 BCADLO COCCN(CC(=O)OC)Cc1[nH]cc(C)[nH+]1 ZINC000600114925 342672359 /nfs/dbraw/zinc/67/23/59/342672359.db2.gz BRWAXHFGCSRMEL-UHFFFAOYSA-N 1 2 241.291 0.340 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3C[C@H]2C[S@]3=O)[nH+]c1C ZINC000600173065 342695471 /nfs/dbraw/zinc/69/54/71/342695471.db2.gz KGIFEXXKAVBLDG-XQJJYNOISA-N 1 2 239.344 0.732 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000600173377 342695561 /nfs/dbraw/zinc/69/55/61/342695561.db2.gz NPOKWWKTQOOYGN-KPCOEVGBSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000600173377 342695562 /nfs/dbraw/zinc/69/55/62/342695562.db2.gz NPOKWWKTQOOYGN-KPCOEVGBSA-N 1 2 226.301 0.688 20 0 BCADLO CN1CCC[C@@H]1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000649480126 398277461 /nfs/dbraw/zinc/27/74/61/398277461.db2.gz VAOAPRRPPSLHGQ-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO CN1CCC[C@@H]1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000649480126 398277463 /nfs/dbraw/zinc/27/74/63/398277463.db2.gz VAOAPRRPPSLHGQ-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO Cc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000166036056 361847464 /nfs/dbraw/zinc/84/74/64/361847464.db2.gz VVDCQJSCCFCMPJ-ZJUUUORDSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(C[NH2+]C[C@H](O)COC(C)C)no1 ZINC000231803309 342739797 /nfs/dbraw/zinc/73/97/97/342739797.db2.gz GTWYJABUUDPKLR-VIFPVBQESA-N 1 2 229.280 0.254 20 0 BCADLO CC(C)[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000309663382 342779443 /nfs/dbraw/zinc/77/94/43/342779443.db2.gz GSOBONNGBUMFPW-DTWKUNHWSA-N 1 2 241.364 0.830 20 0 BCADLO Cc1cc(NC(=O)N(C)C[C@@H](C)O)c(C)c[nH+]1 ZINC000583968607 342782492 /nfs/dbraw/zinc/78/24/92/342782492.db2.gz AXPKJCHNYMJAAC-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ccno1 ZINC000607732601 342783314 /nfs/dbraw/zinc/78/33/14/342783314.db2.gz PWACBYJEOMQZHN-UHFFFAOYSA-N 1 2 211.265 0.585 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccno1 ZINC000607732601 342783315 /nfs/dbraw/zinc/78/33/15/342783315.db2.gz PWACBYJEOMQZHN-UHFFFAOYSA-N 1 2 211.265 0.585 20 0 BCADLO Cc1ncc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000622692050 342783653 /nfs/dbraw/zinc/78/36/53/342783653.db2.gz NBWRZTWQEQBXET-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO NC(=O)[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683221 398284716 /nfs/dbraw/zinc/28/47/16/398284716.db2.gz MUJWOEJMBKVTGR-SSDOTTSWSA-N 1 2 244.245 0.585 20 0 BCADLO NC(=O)[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683221 398284717 /nfs/dbraw/zinc/28/47/17/398284717.db2.gz MUJWOEJMBKVTGR-SSDOTTSWSA-N 1 2 244.245 0.585 20 0 BCADLO CCC(CC)[NH2+][C@@H](COC)C(=O)OC ZINC000308533589 168391944 /nfs/dbraw/zinc/39/19/44/168391944.db2.gz SCAKSFRUFBRLIT-VIFPVBQESA-N 1 2 203.282 0.953 20 0 BCADLO C/C=C\CNc1nc[nH+]c2c1OCCN2 ZINC000624656188 342810219 /nfs/dbraw/zinc/81/02/19/342810219.db2.gz IOAXDDNIXKAFAM-IHWYPQMZSA-N 1 2 206.249 0.381 20 0 BCADLO C/C=C\CNc1[nH+]cnc2c1OCCN2 ZINC000624656188 342810220 /nfs/dbraw/zinc/81/02/20/342810220.db2.gz IOAXDDNIXKAFAM-IHWYPQMZSA-N 1 2 206.249 0.381 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653911 342810895 /nfs/dbraw/zinc/81/08/95/342810895.db2.gz QTSDLBXDVXQLFG-HBNTYKKESA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653911 342810896 /nfs/dbraw/zinc/81/08/96/342810896.db2.gz QTSDLBXDVXQLFG-HBNTYKKESA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653910 342810989 /nfs/dbraw/zinc/81/09/89/342810989.db2.gz QTSDLBXDVXQLFG-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653910 342810990 /nfs/dbraw/zinc/81/09/90/342810990.db2.gz QTSDLBXDVXQLFG-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@@H]1CN(CC[NH2+]Cc2ccn[nH]2)CCO1 ZINC000487166768 529393401 /nfs/dbraw/zinc/39/34/01/529393401.db2.gz YQAWIWYAXNUAEC-GFCCVEGCSA-N 1 2 238.335 0.610 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000348810455 136239323 /nfs/dbraw/zinc/23/93/23/136239323.db2.gz RPVMPQNLVURCHU-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000348810455 136239324 /nfs/dbraw/zinc/23/93/24/136239324.db2.gz RPVMPQNLVURCHU-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000630049022 361917394 /nfs/dbraw/zinc/91/73/94/361917394.db2.gz RBGJKGQQXNGJRB-AAEUAGOBSA-N 1 2 243.347 0.619 20 0 BCADLO Cc1cc(NC2CC(CO)(CO)C2)nc[nH+]1 ZINC000624698893 342819653 /nfs/dbraw/zinc/81/96/53/342819653.db2.gz YMZOJEUMGCKYTN-UHFFFAOYSA-N 1 2 223.276 0.330 20 0 BCADLO CN(c1cccc[nH+]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624688698 342820231 /nfs/dbraw/zinc/82/02/31/342820231.db2.gz KJLNOYVHIGEYKW-DTORHVGOSA-N 1 2 205.261 0.782 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335464050 398289013 /nfs/dbraw/zinc/28/90/13/398289013.db2.gz UWSKCAHLIFTDKV-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335464050 398289016 /nfs/dbraw/zinc/28/90/16/398289016.db2.gz UWSKCAHLIFTDKV-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC2(C1)CCCO2 ZINC000624542326 344004023 /nfs/dbraw/zinc/00/40/23/344004023.db2.gz FWJWSAWELNVEMY-UHFFFAOYSA-N 1 2 245.286 0.733 20 0 BCADLO Cc1c[nH]nc1CN[C@@H]1CCC[N@H+](C)C1 ZINC000380357224 538989467 /nfs/dbraw/zinc/98/94/67/538989467.db2.gz XCVAKBXGNUZYBM-SNVBAGLBSA-N 1 2 208.309 0.902 20 0 BCADLO C[C@H]1OCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000191552457 538992197 /nfs/dbraw/zinc/99/21/97/538992197.db2.gz XUKDDRFPMIRGBZ-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO CCOC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000188866564 538979832 /nfs/dbraw/zinc/97/98/32/538979832.db2.gz QPOISUAGNGCYLD-VIFPVBQESA-N 1 2 239.323 0.772 20 0 BCADLO Cc1cc(NCCC[S@@](C)=O)nc[nH+]1 ZINC000123354697 346865240 /nfs/dbraw/zinc/86/52/40/346865240.db2.gz GWKXDOZEHXSWFW-AWEZNQCLSA-N 1 2 213.306 0.966 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cnoc2)c[nH+]1 ZINC000640718243 361962067 /nfs/dbraw/zinc/96/20/67/361962067.db2.gz NATPWBWEURCCKN-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000334685004 342838669 /nfs/dbraw/zinc/83/86/69/342838669.db2.gz VMJJGSGHTQEJCH-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000334685004 342838671 /nfs/dbraw/zinc/83/86/71/342838671.db2.gz VMJJGSGHTQEJCH-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000334685005 342838789 /nfs/dbraw/zinc/83/87/89/342838789.db2.gz VMJJGSGHTQEJCH-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000334685005 342838791 /nfs/dbraw/zinc/83/87/91/342838791.db2.gz VMJJGSGHTQEJCH-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H](O)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000382395791 539009077 /nfs/dbraw/zinc/00/90/77/539009077.db2.gz ZQZQVGOSQKYWHC-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@H]2C)c[nH+]1 ZINC000390160900 539020258 /nfs/dbraw/zinc/02/02/58/539020258.db2.gz ZPPPVQBIPIOPJY-MUWHJKNJSA-N 1 2 220.276 0.470 20 0 BCADLO CC[C@](C)(O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755491 361989960 /nfs/dbraw/zinc/98/99/60/361989960.db2.gz ZOOYGPHAMOKMJC-NSHDSACASA-N 1 2 235.291 0.753 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000387718352 539013980 /nfs/dbraw/zinc/01/39/80/539013980.db2.gz AEFWRBXVAKVBTI-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000387718352 539013981 /nfs/dbraw/zinc/01/39/81/539013981.db2.gz AEFWRBXVAKVBTI-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO CC[C@@](C)(O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755490 361990341 /nfs/dbraw/zinc/99/03/41/361990341.db2.gz ZOOYGPHAMOKMJC-LLVKDONJSA-N 1 2 235.291 0.753 20 0 BCADLO Cn1cc(CNc2[nH+]c3ccccc3n2C)nn1 ZINC000389835632 539017165 /nfs/dbraw/zinc/01/71/65/539017165.db2.gz OHMGATBKRJVDRU-UHFFFAOYSA-N 1 2 242.286 0.736 20 0 BCADLO Cc1nn(C)cc1-c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754000 361992154 /nfs/dbraw/zinc/99/21/54/361992154.db2.gz HKYIQWUXRWHQCR-UHFFFAOYSA-N 1 2 243.274 0.758 20 0 BCADLO CCO[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000042423244 361996504 /nfs/dbraw/zinc/99/65/04/361996504.db2.gz GYJCDKQGBXYWER-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCO[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000042423244 361996508 /nfs/dbraw/zinc/99/65/08/361996508.db2.gz GYJCDKQGBXYWER-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO COc1cncc(C[N@H+](CC(N)=O)C(C)C)n1 ZINC000625056781 342846793 /nfs/dbraw/zinc/84/67/93/342846793.db2.gz VZDBJOLTNWLPIC-UHFFFAOYSA-N 1 2 238.291 0.181 20 0 BCADLO COc1cncc(C[N@@H+](CC(N)=O)C(C)C)n1 ZINC000625056781 342846794 /nfs/dbraw/zinc/84/67/94/342846794.db2.gz VZDBJOLTNWLPIC-UHFFFAOYSA-N 1 2 238.291 0.181 20 0 BCADLO CN(C)C(=O)C[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625067064 342847865 /nfs/dbraw/zinc/84/78/65/342847865.db2.gz LEFPPYSZMLBGBU-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625067064 342847866 /nfs/dbraw/zinc/84/78/66/342847866.db2.gz LEFPPYSZMLBGBU-UHFFFAOYSA-N 1 2 243.351 0.169 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000189282599 346866614 /nfs/dbraw/zinc/86/66/14/346866614.db2.gz WJSKPMOKXXYDMZ-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000189282599 346866616 /nfs/dbraw/zinc/86/66/16/346866616.db2.gz WJSKPMOKXXYDMZ-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc[nH]c1=O ZINC000625098664 342853932 /nfs/dbraw/zinc/85/39/32/342853932.db2.gz CFAPIFZWXBTNSQ-UHFFFAOYSA-N 1 2 246.270 0.793 20 0 BCADLO COC(=O)C[N@H+](C)CCn1cc(Cl)cn1 ZINC000312875877 259327340 /nfs/dbraw/zinc/32/73/40/259327340.db2.gz AITJSYZUUICYLY-UHFFFAOYSA-N 1 2 231.683 0.641 20 0 BCADLO COC(=O)C[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312875877 259327342 /nfs/dbraw/zinc/32/73/42/259327342.db2.gz AITJSYZUUICYLY-UHFFFAOYSA-N 1 2 231.683 0.641 20 0 BCADLO CCc1noc(C[N@H+](C)CCC(=O)NC)n1 ZINC000075935933 342893730 /nfs/dbraw/zinc/89/37/30/342893730.db2.gz BCAANVAWQSTDMG-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CCc1noc(C[N@@H+](C)CCC(=O)NC)n1 ZINC000075935933 342893732 /nfs/dbraw/zinc/89/37/32/342893732.db2.gz BCAANVAWQSTDMG-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO Cc1cnc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000096643096 398313039 /nfs/dbraw/zinc/31/30/39/398313039.db2.gz JNEZZHOHUOMLDM-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO Cc1nccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)n1 ZINC000351353921 136244894 /nfs/dbraw/zinc/24/48/94/136244894.db2.gz VKXWAGULWQNKHC-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)n1 ZINC000351353921 136244895 /nfs/dbraw/zinc/24/48/95/136244895.db2.gz VKXWAGULWQNKHC-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCC(C)(C)O ZINC000562368724 323017967 /nfs/dbraw/zinc/01/79/67/323017967.db2.gz GKBRRSROCRXPKH-UHFFFAOYSA-N 1 2 225.292 0.587 20 0 BCADLO CC[C@@H]([NH2+]CCCc1cnn(C)c1)C(=O)OC ZINC000192844385 398324028 /nfs/dbraw/zinc/32/40/28/398324028.db2.gz CIYKQCHQQJUDHC-LLVKDONJSA-N 1 2 239.319 0.894 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496976736 529411977 /nfs/dbraw/zinc/41/19/77/529411977.db2.gz ANNIQVSHAVIUGB-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496976736 529411979 /nfs/dbraw/zinc/41/19/79/529411979.db2.gz ANNIQVSHAVIUGB-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000037187540 342925456 /nfs/dbraw/zinc/92/54/56/342925456.db2.gz PXCIRGBRSYDCRK-RKDXNWHRSA-N 1 2 201.266 0.707 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(Cl)nc1 ZINC000037268442 342927196 /nfs/dbraw/zinc/92/71/96/342927196.db2.gz XCRPFHDHAZQTDW-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)nc1 ZINC000037268442 342927197 /nfs/dbraw/zinc/92/71/97/342927197.db2.gz XCRPFHDHAZQTDW-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602631425 349648165 /nfs/dbraw/zinc/64/81/65/349648165.db2.gz DMMKJWAXMULBAX-NXEZZACHSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000234542890 342930167 /nfs/dbraw/zinc/93/01/67/342930167.db2.gz BVUNMXQPSCYHBU-IVZWLZJFSA-N 1 2 227.304 0.687 20 0 BCADLO COC(=O)[C@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000086594134 536635890 /nfs/dbraw/zinc/63/58/90/536635890.db2.gz URASGMSZFFFBJX-ZETCQYMHSA-N 1 2 217.265 0.337 20 0 BCADLO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651280 136249416 /nfs/dbraw/zinc/24/94/16/136249416.db2.gz QRZBICDREMEOCQ-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651280 136249417 /nfs/dbraw/zinc/24/94/17/136249417.db2.gz QRZBICDREMEOCQ-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nc(C)no1 ZINC000351652602 136249436 /nfs/dbraw/zinc/24/94/36/136249436.db2.gz SPDRKIYQWKTCGU-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nc(C)no1 ZINC000351652602 136249437 /nfs/dbraw/zinc/24/94/37/136249437.db2.gz SPDRKIYQWKTCGU-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccon1 ZINC000351653215 136249478 /nfs/dbraw/zinc/24/94/78/136249478.db2.gz VBVMDYGYQNNPQX-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccon1 ZINC000351653215 136249479 /nfs/dbraw/zinc/24/94/79/136249479.db2.gz VBVMDYGYQNNPQX-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602642925 349655295 /nfs/dbraw/zinc/65/52/95/349655295.db2.gz CUMOILMWEPHALY-AEJSXWLSSA-N 1 2 242.319 0.585 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000602643648 349655957 /nfs/dbraw/zinc/65/59/57/349655957.db2.gz GZWQWVCGTFULIP-DTWKUNHWSA-N 1 2 223.276 0.559 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000602643644 349655984 /nfs/dbraw/zinc/65/59/84/349655984.db2.gz GZECPEOPHGJYKB-UTLUCORTSA-N 1 2 231.292 0.189 20 0 BCADLO Cc1nc(N(C)C[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000304541843 398337443 /nfs/dbraw/zinc/33/74/43/398337443.db2.gz WBLKJKLRINOBFX-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@@H]2CCCO2)[nH+]1 ZINC000304541843 398337444 /nfs/dbraw/zinc/33/74/44/398337444.db2.gz WBLKJKLRINOBFX-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H](C)O ZINC000493810980 529456884 /nfs/dbraw/zinc/45/68/84/529456884.db2.gz AILPWZHRIUMEEL-VJIGKBMESA-N 1 2 223.276 0.699 20 0 BCADLO CC(C)n1cc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355195285 398331690 /nfs/dbraw/zinc/33/16/90/398331690.db2.gz XLRIUAUXWPHSLB-NSHDSACASA-N 1 2 236.319 0.784 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355195285 398331691 /nfs/dbraw/zinc/33/16/91/398331691.db2.gz XLRIUAUXWPHSLB-NSHDSACASA-N 1 2 236.319 0.784 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355196757 398331758 /nfs/dbraw/zinc/33/17/58/398331758.db2.gz ZCFPXMYXQXFQDF-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355196757 398331759 /nfs/dbraw/zinc/33/17/59/398331759.db2.gz ZCFPXMYXQXFQDF-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000562477346 323021464 /nfs/dbraw/zinc/02/14/64/323021464.db2.gz IWFXIEFRXXZVQH-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000562477346 323021465 /nfs/dbraw/zinc/02/14/65/323021465.db2.gz IWFXIEFRXXZVQH-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO O=c1c2c([nH]n1CC1CCCC1)CC[NH2+]C2 ZINC000634591520 342942187 /nfs/dbraw/zinc/94/21/87/342942187.db2.gz GKWAGOWHDUKTKX-SNVBAGLBSA-N 1 2 221.304 0.984 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H]1CCOC1 ZINC000234787401 342942523 /nfs/dbraw/zinc/94/25/23/342942523.db2.gz QOTNYCHWMYBQCF-MRVPVSSYSA-N 1 2 238.291 0.906 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H]1CCOC1 ZINC000234787401 342942524 /nfs/dbraw/zinc/94/25/24/342942524.db2.gz QOTNYCHWMYBQCF-MRVPVSSYSA-N 1 2 238.291 0.906 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170017061 398343865 /nfs/dbraw/zinc/34/38/65/398343865.db2.gz LEACIBMRNHJFII-SECBINFHSA-N 1 2 243.270 0.874 20 0 BCADLO C[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000146201041 398344424 /nfs/dbraw/zinc/34/44/24/398344424.db2.gz LQHZNJUGYZFATI-NSHDSACASA-N 1 2 214.309 0.039 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC000351759264 136252766 /nfs/dbraw/zinc/25/27/66/136252766.db2.gz RPRAEFKGKNBDOX-NXEZZACHSA-N 1 2 242.319 0.394 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000351759264 136252767 /nfs/dbraw/zinc/25/27/67/136252767.db2.gz RPRAEFKGKNBDOX-NXEZZACHSA-N 1 2 242.319 0.394 20 0 BCADLO CC[C@@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069581 529510707 /nfs/dbraw/zinc/51/07/07/529510707.db2.gz IDTXRTQNDFMCNG-RTMURIBGSA-N 1 2 209.249 0.310 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(CO)C1 ZINC000492649740 529550557 /nfs/dbraw/zinc/55/05/57/529550557.db2.gz PYXIKGPYDOLZNV-ONEGZZNKSA-N 1 2 235.287 0.367 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497070018 529552701 /nfs/dbraw/zinc/55/27/01/529552701.db2.gz FAHMBUKEOGZMDR-BDAKNGLRSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497070018 529552703 /nfs/dbraw/zinc/55/27/03/529552703.db2.gz FAHMBUKEOGZMDR-BDAKNGLRSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000512736214 529553748 /nfs/dbraw/zinc/55/37/48/529553748.db2.gz SDYFNHRHBMLBFT-IVZWLZJFSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000512736214 529553752 /nfs/dbraw/zinc/55/37/52/529553752.db2.gz SDYFNHRHBMLBFT-IVZWLZJFSA-N 1 2 235.324 0.853 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@](C)(O)C1 ZINC000493321511 529557868 /nfs/dbraw/zinc/55/78/68/529557868.db2.gz MFOHKEVGIIBJFE-ZFDPJTLLSA-N 1 2 249.314 0.900 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cn(C)nn1 ZINC000493499258 529561295 /nfs/dbraw/zinc/56/12/95/529561295.db2.gz ZYDUUHSSSXKBDE-PLNGDYQASA-N 1 2 246.274 0.683 20 0 BCADLO CN(C)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335900143 136258912 /nfs/dbraw/zinc/25/89/12/136258912.db2.gz FAYNDEBKQFAAJM-SECBINFHSA-N 1 2 222.292 0.635 20 0 BCADLO CCN(C#N)CC[N@H+](C)CC(=O)NC(C)C ZINC000602768613 349723473 /nfs/dbraw/zinc/72/34/73/349723473.db2.gz RICRVPLZWPTXRL-UHFFFAOYSA-N 1 2 226.324 0.246 20 0 BCADLO CCN(C#N)CC[N@@H+](C)CC(=O)NC(C)C ZINC000602768613 349723475 /nfs/dbraw/zinc/72/34/75/349723475.db2.gz RICRVPLZWPTXRL-UHFFFAOYSA-N 1 2 226.324 0.246 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000335900143 136258913 /nfs/dbraw/zinc/25/89/13/136258913.db2.gz FAYNDEBKQFAAJM-SECBINFHSA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000335900143 136258914 /nfs/dbraw/zinc/25/89/14/136258914.db2.gz FAYNDEBKQFAAJM-SECBINFHSA-N 1 2 222.292 0.635 20 0 BCADLO COC(=O)c1ccc(C[NH2+]C2(C)COC2)o1 ZINC000602741843 349709842 /nfs/dbraw/zinc/70/98/42/349709842.db2.gz WEDQOQBUSOUFAA-UHFFFAOYSA-N 1 2 225.244 0.945 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602769621 349725050 /nfs/dbraw/zinc/72/50/50/349725050.db2.gz HNLLBYPVJKZGCY-VIFPVBQESA-N 1 2 238.291 0.260 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602769621 349725052 /nfs/dbraw/zinc/72/50/52/349725052.db2.gz HNLLBYPVJKZGCY-VIFPVBQESA-N 1 2 238.291 0.260 20 0 BCADLO CCN(C#N)CC[N@H+](C)C[C@H](O)C(F)(F)F ZINC000602798837 349738642 /nfs/dbraw/zinc/73/86/42/349738642.db2.gz FYUWACCZCPJPAT-QMMMGPOBSA-N 1 2 239.241 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000602798837 349738644 /nfs/dbraw/zinc/73/86/44/349738644.db2.gz FYUWACCZCPJPAT-QMMMGPOBSA-N 1 2 239.241 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000602797055 349738981 /nfs/dbraw/zinc/73/89/81/349738981.db2.gz GJAOVHOXAXEEQP-UHFFFAOYSA-N 1 2 219.292 0.571 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000602797055 349738985 /nfs/dbraw/zinc/73/89/85/349738985.db2.gz GJAOVHOXAXEEQP-UHFFFAOYSA-N 1 2 219.292 0.571 20 0 BCADLO COC(=O)CSCc1[nH+]ccn1C ZINC000308218483 259338980 /nfs/dbraw/zinc/33/89/80/259338980.db2.gz BGCUPYBASCQFTD-UHFFFAOYSA-N 1 2 200.263 0.826 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1CCO[C@H]1C)C(=O)OC ZINC000602799401 349740626 /nfs/dbraw/zinc/74/06/26/349740626.db2.gz OGNKJDVYNCIOKV-UMNHJUIQSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1CCO[C@@H]1C)C(=O)OC ZINC000602799399 349740841 /nfs/dbraw/zinc/74/08/41/349740841.db2.gz OGNKJDVYNCIOKV-SCVCMEIPSA-N 1 2 245.319 0.579 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000602804151 349743520 /nfs/dbraw/zinc/74/35/20/349743520.db2.gz JCBPHTCCCLMOHF-MEBBXXQBSA-N 1 2 231.365 0.488 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000602804151 349743523 /nfs/dbraw/zinc/74/35/23/349743523.db2.gz JCBPHTCCCLMOHF-MEBBXXQBSA-N 1 2 231.365 0.488 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000618149236 346914141 /nfs/dbraw/zinc/91/41/41/346914141.db2.gz KYAWPFHDEMWIJL-RKDXNWHRSA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000618149236 346914142 /nfs/dbraw/zinc/91/41/42/346914142.db2.gz KYAWPFHDEMWIJL-RKDXNWHRSA-N 1 2 225.292 0.739 20 0 BCADLO CNC(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000046062347 343015781 /nfs/dbraw/zinc/01/57/81/343015781.db2.gz KZKVBIDUCNYOQF-UHFFFAOYSA-N 1 2 226.276 0.474 20 0 BCADLO CNC(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000046062347 343015782 /nfs/dbraw/zinc/01/57/82/343015782.db2.gz KZKVBIDUCNYOQF-UHFFFAOYSA-N 1 2 226.276 0.474 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000602823526 349763041 /nfs/dbraw/zinc/76/30/41/349763041.db2.gz UYQVSYYZZCAHKB-BDJLRTHQSA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000602823526 349763044 /nfs/dbraw/zinc/76/30/44/349763044.db2.gz UYQVSYYZZCAHKB-BDJLRTHQSA-N 1 2 243.376 0.632 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000602783706 349748310 /nfs/dbraw/zinc/74/83/10/349748310.db2.gz FKURIUHICQAPNK-QWRGUYRKSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000602783706 349748312 /nfs/dbraw/zinc/74/83/12/349748312.db2.gz FKURIUHICQAPNK-QWRGUYRKSA-N 1 2 211.309 0.899 20 0 BCADLO CC[C@@H](NC(=O)CNC(=O)OC)c1[nH]cc[nH+]1 ZINC000495381758 529597131 /nfs/dbraw/zinc/59/71/31/529597131.db2.gz DRRXNJHIGJZHEG-SSDOTTSWSA-N 1 2 240.263 0.333 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000678124502 488195646 /nfs/dbraw/zinc/19/56/46/488195646.db2.gz ZXYXWIDJXMJTBK-SECBINFHSA-N 1 2 208.265 0.250 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000602785916 349750548 /nfs/dbraw/zinc/75/05/48/349750548.db2.gz MFGBRSUYMKJPKH-LLVKDONJSA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000602785916 349750551 /nfs/dbraw/zinc/75/05/51/349750551.db2.gz MFGBRSUYMKJPKH-LLVKDONJSA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](COC)C1 ZINC000602786389 349750618 /nfs/dbraw/zinc/75/06/18/349750618.db2.gz WANXFIHVHADZBI-LLVKDONJSA-N 1 2 227.308 0.137 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H](COC)C1 ZINC000602786389 349750620 /nfs/dbraw/zinc/75/06/20/349750620.db2.gz WANXFIHVHADZBI-LLVKDONJSA-N 1 2 227.308 0.137 20 0 BCADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(C)=O ZINC000602789235 349752656 /nfs/dbraw/zinc/75/26/56/349752656.db2.gz VPZISRGNEAWOKE-VIFPVBQESA-N 1 2 231.317 0.556 20 0 BCADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(C)=O ZINC000602789235 349752659 /nfs/dbraw/zinc/75/26/59/349752659.db2.gz VPZISRGNEAWOKE-VIFPVBQESA-N 1 2 231.317 0.556 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1(CO)CCCC1 ZINC000309328692 259342616 /nfs/dbraw/zinc/34/26/16/259342616.db2.gz IIZQMPCLJVQTGF-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1csnn1 ZINC000602844460 349781137 /nfs/dbraw/zinc/78/11/37/349781137.db2.gz RPXFKDKUOSNAJZ-QMMMGPOBSA-N 1 2 225.321 0.992 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000602847888 349783580 /nfs/dbraw/zinc/78/35/80/349783580.db2.gz USJHVYNUJHQZOT-NSHDSACASA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000602847888 349783584 /nfs/dbraw/zinc/78/35/84/349783584.db2.gz USJHVYNUJHQZOT-NSHDSACASA-N 1 2 241.335 0.261 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880267 349790768 /nfs/dbraw/zinc/79/07/68/349790768.db2.gz KTOFOFNONGUJFL-SECBINFHSA-N 1 2 209.249 0.720 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880267 349790769 /nfs/dbraw/zinc/79/07/69/349790769.db2.gz KTOFOFNONGUJFL-SECBINFHSA-N 1 2 209.249 0.720 20 0 BCADLO CCOC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000384145210 343054056 /nfs/dbraw/zinc/05/40/56/343054056.db2.gz RTPSXNPXIWNHLE-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CC1(C)OCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634632462 343044029 /nfs/dbraw/zinc/04/40/29/343044029.db2.gz RTUAVJJNTFHCLT-PSASIEDQSA-N 1 2 237.303 0.362 20 0 BCADLO O[C@H](C[NH+]1CC2(C1)CCCO2)CC1(O)CCC1 ZINC000634650917 343061094 /nfs/dbraw/zinc/06/10/94/343061094.db2.gz YZJODOKVHCXPBP-NSHDSACASA-N 1 2 241.331 0.517 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1CCC(C)C ZINC000135536595 343063902 /nfs/dbraw/zinc/06/39/02/343063902.db2.gz VZDPTWZEBGISEK-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1CCC(C)C ZINC000135536595 343063904 /nfs/dbraw/zinc/06/39/04/343063904.db2.gz VZDPTWZEBGISEK-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO COCc1noc([C@@]2(COC)CCCC[NH2+]2)n1 ZINC000634555063 362045594 /nfs/dbraw/zinc/04/55/94/362045594.db2.gz YPIUUINJWFJSGJ-NSHDSACASA-N 1 2 241.291 0.831 20 0 BCADLO COC(=O)[C@H]([NH2+]CCn1cccn1)C(C)C ZINC000049314275 343103601 /nfs/dbraw/zinc/10/36/01/343103601.db2.gz RARUBKCLZUAVTI-SNVBAGLBSA-N 1 2 225.292 0.670 20 0 BCADLO CC(C)OCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640834608 362062590 /nfs/dbraw/zinc/06/25/90/362062590.db2.gz QYDDYKNQFXEWDM-LLVKDONJSA-N 1 2 240.307 0.364 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2CCC2)nn1 ZINC000640947966 362094395 /nfs/dbraw/zinc/09/43/95/362094395.db2.gz QWUYDOXQABVPOX-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2CCC2)nn1 ZINC000640947966 362094397 /nfs/dbraw/zinc/09/43/97/362094397.db2.gz QWUYDOXQABVPOX-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](CF)C1 ZINC000622700820 343122298 /nfs/dbraw/zinc/12/22/98/343122298.db2.gz WANQQAFOHYMKHR-VIFPVBQESA-N 1 2 241.266 0.539 20 0 BCADLO CC[C@@H](C)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939489 362078449 /nfs/dbraw/zinc/07/84/49/362078449.db2.gz AXMSXKLFLJUIBF-MWLCHTKSSA-N 1 2 224.308 0.985 20 0 BCADLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000640995806 362105450 /nfs/dbraw/zinc/10/54/50/362105450.db2.gz SBEHHRIJMHAQBT-RNFRBKRXSA-N 1 2 244.245 0.761 20 0 BCADLO C[C@H](CNC(=O)c1ccco1)[NH+]1CCOCC1 ZINC000029957998 343155282 /nfs/dbraw/zinc/15/52/82/343155282.db2.gz IEAIEGKHHUTKHR-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[N@H+](Cc1cccs1)[C@H]1CC(=O)NC1=O ZINC000576954204 365730911 /nfs/dbraw/zinc/73/09/11/365730911.db2.gz KULVSOJUMSPCGL-QMMMGPOBSA-N 1 2 224.285 0.595 20 0 BCADLO C[N@@H+](Cc1cccs1)[C@H]1CC(=O)NC1=O ZINC000576954204 365730918 /nfs/dbraw/zinc/73/09/18/365730918.db2.gz KULVSOJUMSPCGL-QMMMGPOBSA-N 1 2 224.285 0.595 20 0 BCADLO CCOCCNc1nc[nH+]c(N)c1OC ZINC000134830802 343195607 /nfs/dbraw/zinc/19/56/07/343195607.db2.gz JCRZIQZEEPSHBI-UHFFFAOYSA-N 1 2 212.253 0.516 20 0 BCADLO CCOCCNc1[nH+]cnc(N)c1OC ZINC000134830802 343195608 /nfs/dbraw/zinc/19/56/08/343195608.db2.gz JCRZIQZEEPSHBI-UHFFFAOYSA-N 1 2 212.253 0.516 20 0 BCADLO O=C(C[NH2+]C1CC1)Nc1ccc2nn[nH]c2c1 ZINC000237879406 343214672 /nfs/dbraw/zinc/21/46/72/343214672.db2.gz JEPGXQXAPBBZDI-UHFFFAOYSA-N 1 2 231.259 0.648 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364460244 136276247 /nfs/dbraw/zinc/27/62/47/136276247.db2.gz KSAHNAYVXAIFFB-ZWNOBZJWSA-N 1 2 249.314 0.429 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC1(O)CCC1 ZINC000625277320 343216961 /nfs/dbraw/zinc/21/69/61/343216961.db2.gz ZCPXMGQIUNMIDZ-SNVBAGLBSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC1(O)CCC1 ZINC000625277320 343216962 /nfs/dbraw/zinc/21/69/62/343216962.db2.gz ZCPXMGQIUNMIDZ-SNVBAGLBSA-N 1 2 239.319 0.508 20 0 BCADLO OC[C@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000625278627 343218357 /nfs/dbraw/zinc/21/83/57/343218357.db2.gz NQPDVEOAOHNJQM-ZETCQYMHSA-N 1 2 231.346 0.448 20 0 BCADLO OC[C@H]1CSCC[N@H+]1Cc1cnns1 ZINC000625278627 343218360 /nfs/dbraw/zinc/21/83/60/343218360.db2.gz NQPDVEOAOHNJQM-ZETCQYMHSA-N 1 2 231.346 0.448 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)O)C(C)C ZINC000133560891 343191140 /nfs/dbraw/zinc/19/11/40/343191140.db2.gz NBAYQTHFHNMDCI-IUCAKERBSA-N 1 2 203.282 0.545 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cc(C)on1 ZINC000134866872 343191581 /nfs/dbraw/zinc/19/15/81/343191581.db2.gz WHFNYOREEKLITR-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cc(C)on1 ZINC000134866872 343191583 /nfs/dbraw/zinc/19/15/83/343191583.db2.gz WHFNYOREEKLITR-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO CC[C@@H](CCO)CNc1nc[nH+]c(N)c1OC ZINC000134923224 343192226 /nfs/dbraw/zinc/19/22/26/343192226.db2.gz OQWHYQGRUMIAIK-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO CC[C@@H](CCO)CNc1[nH+]cnc(N)c1OC ZINC000134923224 343192227 /nfs/dbraw/zinc/19/22/27/343192227.db2.gz OQWHYQGRUMIAIK-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)CCCO ZINC000134923037 343192518 /nfs/dbraw/zinc/19/25/18/343192518.db2.gz SFFUGNDVACZGKX-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)CCCO ZINC000134923037 343192521 /nfs/dbraw/zinc/19/25/21/343192521.db2.gz SFFUGNDVACZGKX-ZETCQYMHSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@H](O)C1 ZINC000134824629 343195445 /nfs/dbraw/zinc/19/54/45/343195445.db2.gz HOCDRTVTVOGTTA-ZETCQYMHSA-N 1 2 224.264 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@H](O)C1 ZINC000134824629 343195447 /nfs/dbraw/zinc/19/54/47/343195447.db2.gz HOCDRTVTVOGTTA-ZETCQYMHSA-N 1 2 224.264 0.029 20 0 BCADLO CC[C@H](O)C[NH+]1CC(OC(=O)NC(C)C)C1 ZINC000496637747 529697005 /nfs/dbraw/zinc/69/70/05/529697005.db2.gz XRKLHMLENDBPLO-VIFPVBQESA-N 1 2 230.308 0.576 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067661540 343232077 /nfs/dbraw/zinc/23/20/77/343232077.db2.gz MATHQPCLKGBDBD-NSHDSACASA-N 1 2 242.319 0.398 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067661540 343232078 /nfs/dbraw/zinc/23/20/78/343232078.db2.gz MATHQPCLKGBDBD-NSHDSACASA-N 1 2 242.319 0.398 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)C(F)F ZINC000641020160 362134710 /nfs/dbraw/zinc/13/47/10/362134710.db2.gz LYCZPVMJUYHPEO-ZCFIWIBFSA-N 1 2 232.234 0.873 20 0 BCADLO COC(=O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035220895 343290643 /nfs/dbraw/zinc/29/06/43/343290643.db2.gz WHFKMBSQORBEMK-UHFFFAOYSA-N 1 2 247.254 0.166 20 0 BCADLO C[C@@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035203014 343288944 /nfs/dbraw/zinc/28/89/44/343288944.db2.gz NORZRLNLKLVNOF-SECBINFHSA-N 1 2 233.271 0.374 20 0 BCADLO C[N@H+](CCO)Cc1cn(CCCCCF)nn1 ZINC000641049636 362156876 /nfs/dbraw/zinc/15/68/76/362156876.db2.gz MKONDQJNESVORV-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CCCCCF)nn1 ZINC000641049636 362156879 /nfs/dbraw/zinc/15/68/79/362156879.db2.gz MKONDQJNESVORV-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000035203998 343289385 /nfs/dbraw/zinc/28/93/85/343289385.db2.gz BJWYISIDHMEHPH-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO CCOC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000069761157 343290862 /nfs/dbraw/zinc/29/08/62/343290862.db2.gz ATHPTTAHNKSORO-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO CCOC(=O)C[N@H+]1CCSC[C@H]1C ZINC000069761157 343290863 /nfs/dbraw/zinc/29/08/63/343290863.db2.gz ATHPTTAHNKSORO-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccncc1 ZINC000088094624 136285547 /nfs/dbraw/zinc/28/55/47/136285547.db2.gz YQEVDSZCKPTPPC-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccncc1 ZINC000088094624 136285548 /nfs/dbraw/zinc/28/55/48/136285548.db2.gz YQEVDSZCKPTPPC-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO CC(C)[C@H](O)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641039023 362151455 /nfs/dbraw/zinc/15/14/55/362151455.db2.gz YIGDEMKDHIMYHC-GFCCVEGCSA-N 1 2 249.318 0.619 20 0 BCADLO CC(C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886875 343290179 /nfs/dbraw/zinc/29/01/79/343290179.db2.gz HTSOYZGMJKGVGZ-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO Cc1[nH]c(C(=O)NC2(C(=O)N(C)C)CC2)c[nH+]1 ZINC000622703310 343321731 /nfs/dbraw/zinc/32/17/31/343321731.db2.gz WWNIPIPCPBBJBF-UHFFFAOYSA-N 1 2 236.275 0.069 20 0 BCADLO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccn[nH]1 ZINC000036933305 343328421 /nfs/dbraw/zinc/32/84/21/343328421.db2.gz QQZQSEZTCAXKRW-JTQLQIEISA-N 1 2 224.308 0.220 20 0 BCADLO C[C@@H](CO)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000134961622 343297984 /nfs/dbraw/zinc/29/79/84/343297984.db2.gz SMEMCODWDMEERJ-YUMQZZPRSA-N 1 2 235.291 0.792 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000070163095 343303970 /nfs/dbraw/zinc/30/39/70/343303970.db2.gz ZBIVBTUBBAOXDG-ZETCQYMHSA-N 1 2 210.237 0.290 20 0 BCADLO Cn1c[nH+]c(Cn2cc(Cn3cccn3)nn2)c1 ZINC000641054145 362163863 /nfs/dbraw/zinc/16/38/63/362163863.db2.gz RXMIMWCRZCYHLI-UHFFFAOYSA-N 1 2 243.274 0.305 20 0 BCADLO CCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000070238484 343313981 /nfs/dbraw/zinc/31/39/81/343313981.db2.gz HOLXLNHEUAEMHA-UHFFFAOYSA-N 1 2 231.321 0.603 20 0 BCADLO CSCCNC(=O)NCc1[nH+]ccn1C ZINC000609139623 343317453 /nfs/dbraw/zinc/31/74/53/343317453.db2.gz LCVZDWMTYWVGJX-UHFFFAOYSA-N 1 2 228.321 0.582 20 0 BCADLO CCCCOCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000348804645 136301731 /nfs/dbraw/zinc/30/17/31/136301731.db2.gz DOOMSVFEGWJIGJ-UHFFFAOYSA-N 1 2 228.336 0.967 20 0 BCADLO CCCCOCC[N@H+]1CCN(CC)C(=O)C1 ZINC000348804645 136301732 /nfs/dbraw/zinc/30/17/32/136301732.db2.gz DOOMSVFEGWJIGJ-UHFFFAOYSA-N 1 2 228.336 0.967 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335676594 136318765 /nfs/dbraw/zinc/31/87/65/136318765.db2.gz TUMWWUDVNCMMIW-WDEREUQCSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335676594 136318766 /nfs/dbraw/zinc/31/87/66/136318766.db2.gz TUMWWUDVNCMMIW-WDEREUQCSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc(NC(=O)C2CC(C)(O)C2)cc[nH+]1 ZINC000335653034 136305518 /nfs/dbraw/zinc/30/55/18/136305518.db2.gz RWPBUXLUUSTFPY-UHFFFAOYSA-N 1 2 220.272 0.911 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CC2)N1CCCC1 ZINC000335668594 136311969 /nfs/dbraw/zinc/31/19/69/136311969.db2.gz STSRQOSUUDDCKJ-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO O=C(C[N@H+]1CCOCC12CC2)N1CCCC1 ZINC000335668594 136311970 /nfs/dbraw/zinc/31/19/70/136311970.db2.gz STSRQOSUUDDCKJ-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000335664933 136316474 /nfs/dbraw/zinc/31/64/74/136316474.db2.gz YWRIGZTYXGBXIW-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000335664933 136316475 /nfs/dbraw/zinc/31/64/75/136316475.db2.gz YWRIGZTYXGBXIW-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602907337 349807029 /nfs/dbraw/zinc/80/70/29/349807029.db2.gz MHOACPUFNOFFFB-SKDRFNHKSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602907337 349807033 /nfs/dbraw/zinc/80/70/33/349807033.db2.gz MHOACPUFNOFFFB-SKDRFNHKSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)O ZINC000602877167 349807046 /nfs/dbraw/zinc/80/70/46/349807046.db2.gz NLAHPFXKHDMQPR-ZYHUDNBSSA-N 1 2 237.299 0.741 20 0 BCADLO COCC[N@H+](C)Cc1cn([C@@H](C)COC)nn1 ZINC000641078046 362186049 /nfs/dbraw/zinc/18/60/49/362186049.db2.gz CULVSHCENLXJSF-JTQLQIEISA-N 1 2 242.323 0.564 20 0 BCADLO COCC[N@@H+](C)Cc1cn([C@@H](C)COC)nn1 ZINC000641078046 362186056 /nfs/dbraw/zinc/18/60/56/362186056.db2.gz CULVSHCENLXJSF-JTQLQIEISA-N 1 2 242.323 0.564 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000225273744 259359117 /nfs/dbraw/zinc/35/91/17/259359117.db2.gz YQFYZTJLHVSWOC-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000225273744 259359120 /nfs/dbraw/zinc/35/91/20/259359120.db2.gz YQFYZTJLHVSWOC-SECBINFHSA-N 1 2 235.287 0.563 20 0 BCADLO COCCCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000348111758 536878364 /nfs/dbraw/zinc/87/83/64/536878364.db2.gz PRLGJUJGLRUXEM-LBPRGKRZSA-N 1 2 245.319 0.725 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]c1 ZINC000040834775 343410066 /nfs/dbraw/zinc/41/00/66/343410066.db2.gz RINNJYATCCEIAE-MRVPVSSYSA-N 1 2 219.248 0.425 20 0 BCADLO C[N@@H+](Cc1cncnc1)C[C@@H](O)C(F)(F)F ZINC000349371459 136343828 /nfs/dbraw/zinc/34/38/28/136343828.db2.gz TUWWPQZTMZNIII-MRVPVSSYSA-N 1 2 235.209 0.832 20 0 BCADLO C[N@H+](Cc1cncnc1)C[C@@H](O)C(F)(F)F ZINC000349371459 136343829 /nfs/dbraw/zinc/34/38/29/136343829.db2.gz TUWWPQZTMZNIII-MRVPVSSYSA-N 1 2 235.209 0.832 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC(=O)N1C ZINC000335721986 136346284 /nfs/dbraw/zinc/34/62/84/136346284.db2.gz AKOXSBPLRXIUDI-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC(=O)N1C ZINC000335721986 136346285 /nfs/dbraw/zinc/34/62/85/136346285.db2.gz AKOXSBPLRXIUDI-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO COCC[N@H+](C)Cc1cn(C[C@H](C)OC)nn1 ZINC000641083790 362204774 /nfs/dbraw/zinc/20/47/74/362204774.db2.gz WJTMBPVMXPJILR-JTQLQIEISA-N 1 2 242.323 0.391 20 0 BCADLO COCC[N@@H+](C)Cc1cn(C[C@H](C)OC)nn1 ZINC000641083790 362204779 /nfs/dbraw/zinc/20/47/79/362204779.db2.gz WJTMBPVMXPJILR-JTQLQIEISA-N 1 2 242.323 0.391 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335726122 136347249 /nfs/dbraw/zinc/34/72/49/136347249.db2.gz KMTRLLWMMNLWML-KCJUWKMLSA-N 1 2 237.303 0.400 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335726122 136347250 /nfs/dbraw/zinc/34/72/50/136347250.db2.gz KMTRLLWMMNLWML-KCJUWKMLSA-N 1 2 237.303 0.400 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCSC[C@H]1CO ZINC000335729172 136348275 /nfs/dbraw/zinc/34/82/75/136348275.db2.gz FRAZYGCJPFMCEJ-SECBINFHSA-N 1 2 227.333 0.330 20 0 BCADLO Cn1ccnc1C[N@H+]1CCSC[C@H]1CO ZINC000335729172 136348276 /nfs/dbraw/zinc/34/82/76/136348276.db2.gz FRAZYGCJPFMCEJ-SECBINFHSA-N 1 2 227.333 0.330 20 0 BCADLO Cn1cc[nH+]c1CN1CCSC[C@H]1CO ZINC000335729172 136348277 /nfs/dbraw/zinc/34/82/77/136348277.db2.gz FRAZYGCJPFMCEJ-SECBINFHSA-N 1 2 227.333 0.330 20 0 BCADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCOC1 ZINC000349197116 136331370 /nfs/dbraw/zinc/33/13/70/136331370.db2.gz VQOPCSIHWPWROS-JTQLQIEISA-N 1 2 209.249 0.453 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CSC ZINC000187792501 259360968 /nfs/dbraw/zinc/36/09/68/259360968.db2.gz NVGKDXUDUIQHTJ-MRVPVSSYSA-N 1 2 221.322 0.205 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CSC ZINC000187792501 259360969 /nfs/dbraw/zinc/36/09/69/259360969.db2.gz NVGKDXUDUIQHTJ-MRVPVSSYSA-N 1 2 221.322 0.205 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2COC[C@H]21 ZINC000367086430 136333858 /nfs/dbraw/zinc/33/38/58/136333858.db2.gz LCDYYONSRFKFGJ-CMPLNLGQSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2COC[C@H]21 ZINC000367086430 136333859 /nfs/dbraw/zinc/33/38/59/136333859.db2.gz LCDYYONSRFKFGJ-CMPLNLGQSA-N 1 2 249.314 0.980 20 0 BCADLO Cc1[nH]c(C(=O)NCc2csc(=O)[nH]2)c[nH+]1 ZINC000335704492 136335395 /nfs/dbraw/zinc/33/53/95/136335395.db2.gz LENKVRKJXGRGGX-UHFFFAOYSA-N 1 2 238.272 0.810 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1ccnn1C ZINC000350071604 136354259 /nfs/dbraw/zinc/35/42/59/136354259.db2.gz FSDAEYVTSQVQBL-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000350071604 136354260 /nfs/dbraw/zinc/35/42/60/136354260.db2.gz FSDAEYVTSQVQBL-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO COCCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641095073 362222032 /nfs/dbraw/zinc/22/20/32/362222032.db2.gz UXLQDTQCCHKAEV-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccc(O)cc1 ZINC000310343714 343450728 /nfs/dbraw/zinc/45/07/28/343450728.db2.gz FNAQYHPAYSNDLL-UHFFFAOYSA-N 1 2 231.255 0.905 20 0 BCADLO COCCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641095073 362222039 /nfs/dbraw/zinc/22/20/39/362222039.db2.gz UXLQDTQCCHKAEV-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C)CCS1 ZINC000350616992 136362320 /nfs/dbraw/zinc/36/23/20/136362320.db2.gz YPECHZBBFPTVMA-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)CCS1 ZINC000350616992 136362321 /nfs/dbraw/zinc/36/23/21/136362321.db2.gz YPECHZBBFPTVMA-SSDOTTSWSA-N 1 2 213.310 0.147 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191775969 136364569 /nfs/dbraw/zinc/36/45/69/136364569.db2.gz SQFSMWINYMCWBI-RYUDHWBXSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191775969 136364570 /nfs/dbraw/zinc/36/45/70/136364570.db2.gz SQFSMWINYMCWBI-RYUDHWBXSA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)C[C@H](CO)O1 ZINC000191773692 136364673 /nfs/dbraw/zinc/36/46/73/136364673.db2.gz CLJSDUXZONPGEP-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H](CO)O1 ZINC000191773692 136364674 /nfs/dbraw/zinc/36/46/74/136364674.db2.gz CLJSDUXZONPGEP-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cocn1 ZINC000351183110 136368180 /nfs/dbraw/zinc/36/81/80/136368180.db2.gz LSOZLXXHRLBEQL-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cocn1 ZINC000351183110 136368181 /nfs/dbraw/zinc/36/81/81/136368181.db2.gz LSOZLXXHRLBEQL-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO CC[C@@](C)(O)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124017 362231536 /nfs/dbraw/zinc/23/15/36/362231536.db2.gz SJQOGPADAOYHKB-GFCCVEGCSA-N 1 2 249.318 0.878 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCCC(=O)OC ZINC000082476760 343444939 /nfs/dbraw/zinc/44/49/39/343444939.db2.gz FPFWFEYGKCJYCW-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCCC(=O)OC ZINC000082476760 343444940 /nfs/dbraw/zinc/44/49/40/343444940.db2.gz FPFWFEYGKCJYCW-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000616496263 343480498 /nfs/dbraw/zinc/48/04/98/343480498.db2.gz FJTOHWASGACRLA-KXUCPTDWSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000616496263 343480499 /nfs/dbraw/zinc/48/04/99/343480499.db2.gz FJTOHWASGACRLA-KXUCPTDWSA-N 1 2 249.314 0.808 20 0 BCADLO CCC[C@H](CCO)CNC(=O)Cn1cc[nH+]c1 ZINC000310385308 343469029 /nfs/dbraw/zinc/46/90/29/343469029.db2.gz JYCNXHLMRLZCAG-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)CCO ZINC000083995474 343513034 /nfs/dbraw/zinc/51/30/34/343513034.db2.gz LBJJNTIHTFSGFC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)CCO ZINC000083995474 343513037 /nfs/dbraw/zinc/51/30/37/343513037.db2.gz LBJJNTIHTFSGFC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO Cn1ccnc1NC(=O)CCc1c[nH+]cn1C ZINC000622708751 343517137 /nfs/dbraw/zinc/51/71/37/343517137.db2.gz JFPBVLRGHANKIB-UHFFFAOYSA-N 1 2 233.275 0.725 20 0 BCADLO C[C@@H]1OCC[C@@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641161143 362246487 /nfs/dbraw/zinc/24/64/87/362246487.db2.gz VILUWUDHEIXDNH-WDEREUQCSA-N 1 2 247.302 0.948 20 0 BCADLO COC(=O)CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000046437774 343545097 /nfs/dbraw/zinc/54/50/97/343545097.db2.gz LAYXPBJWEAEKGR-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C ZINC000379570378 343576754 /nfs/dbraw/zinc/57/67/54/343576754.db2.gz GSEICAWBNGKNSO-JGVFFNPUSA-N 1 2 203.282 0.545 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccnc1 ZINC000046889864 343554898 /nfs/dbraw/zinc/55/48/98/343554898.db2.gz MKJVZVPYDVRASJ-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@@H](OC)C1 ZINC000602899985 349815808 /nfs/dbraw/zinc/81/58/08/349815808.db2.gz WARBKTDIAQUHHZ-SNVBAGLBSA-N 1 2 217.265 0.244 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@@H](OC)C1 ZINC000602899985 349815811 /nfs/dbraw/zinc/81/58/11/349815811.db2.gz WARBKTDIAQUHHZ-SNVBAGLBSA-N 1 2 217.265 0.244 20 0 BCADLO CCc1nnc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)[nH]1 ZINC000488118182 529737105 /nfs/dbraw/zinc/73/71/05/529737105.db2.gz ZFIMGRBILHXYCQ-RKDXNWHRSA-N 1 2 240.307 0.213 20 0 BCADLO COC(=O)[C@@H](C)NCc1[nH+]ccn1C1CC1 ZINC000711729608 537782449 /nfs/dbraw/zinc/78/24/49/537782449.db2.gz ACRAMFFXXOYSEQ-MRVPVSSYSA-N 1 2 223.276 0.869 20 0 BCADLO Cn1ccnc1C[NH2+]CC(=O)NC1CCCC1 ZINC000071273655 343647470 /nfs/dbraw/zinc/64/74/70/343647470.db2.gz NNMDUBLCDBKCKF-UHFFFAOYSA-N 1 2 236.319 0.569 20 0 BCADLO CCc1cc(NCC2(O)CCOCC2)nc[nH+]1 ZINC000083530099 343626992 /nfs/dbraw/zinc/62/69/92/343626992.db2.gz ITZQUWGYCSDBTI-UHFFFAOYSA-N 1 2 237.303 0.992 20 0 BCADLO CC[C@@H](COC)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000577054696 365795504 /nfs/dbraw/zinc/79/55/04/365795504.db2.gz ILIBEKJKMDHLET-IONNQARKSA-N 1 2 243.332 0.684 20 0 BCADLO Cn1cc[nH+]c1[C@@H](NC(=O)C1CC(=O)C1)C1CC1 ZINC000557497227 343696215 /nfs/dbraw/zinc/69/62/15/343696215.db2.gz HAVDXUKUFOOYBD-NSHDSACASA-N 1 2 247.298 0.967 20 0 BCADLO Cn1cccc1C(=O)NCCn1cc[nH+]c1 ZINC000058585507 343701031 /nfs/dbraw/zinc/70/10/31/343701031.db2.gz WZXYRYFHRWFSHQ-UHFFFAOYSA-N 1 2 218.260 0.652 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000625435828 343732944 /nfs/dbraw/zinc/73/29/44/343732944.db2.gz XITFTVYYSBXBBK-LLVKDONJSA-N 1 2 223.276 0.108 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000625435828 343732945 /nfs/dbraw/zinc/73/29/45/343732945.db2.gz XITFTVYYSBXBBK-LLVKDONJSA-N 1 2 223.276 0.108 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)no1 ZINC000341004191 343720892 /nfs/dbraw/zinc/72/08/92/343720892.db2.gz AKXFLOFGXDDXMI-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)no1 ZINC000341004191 343720893 /nfs/dbraw/zinc/72/08/93/343720893.db2.gz AKXFLOFGXDDXMI-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CN1C[C@@H](CN2CCn3cc[nH+]c3C2)OC1=O ZINC000496811321 529817927 /nfs/dbraw/zinc/81/79/27/529817927.db2.gz PZTZIWRVDLMGNQ-VIFPVBQESA-N 1 2 236.275 0.149 20 0 BCADLO Cc1ncsc1CNC(=O)Cn1cc[nH+]c1 ZINC000584206021 343772645 /nfs/dbraw/zinc/77/26/45/343772645.db2.gz FENUOENQPLGOPS-UHFFFAOYSA-N 1 2 236.300 0.964 20 0 BCADLO CN(CC(C)(C)O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904322 529848319 /nfs/dbraw/zinc/84/83/19/529848319.db2.gz WOWWYJGCGGVRFU-PLNGDYQASA-N 1 2 223.276 0.652 20 0 BCADLO Cc1cc(C[N@@H+]2CCCOCC2)nn1C ZINC000336643701 537821117 /nfs/dbraw/zinc/82/11/17/537821117.db2.gz DINPTBKWNMWRQO-UHFFFAOYSA-N 1 2 209.293 0.951 20 0 BCADLO Cc1cc(C[N@H+]2CCCOCC2)nn1C ZINC000336643701 537821124 /nfs/dbraw/zinc/82/11/24/537821124.db2.gz DINPTBKWNMWRQO-UHFFFAOYSA-N 1 2 209.293 0.951 20 0 BCADLO CNC(=O)C[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069504 529870547 /nfs/dbraw/zinc/87/05/47/529870547.db2.gz HWOCPLKRMKKVIF-RTMURIBGSA-N 1 2 236.275 0.064 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000625460053 343862998 /nfs/dbraw/zinc/86/29/98/343862998.db2.gz GPWYFKQLHBGOKG-SECBINFHSA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000625460053 343862999 /nfs/dbraw/zinc/86/29/99/343862999.db2.gz GPWYFKQLHBGOKG-SECBINFHSA-N 1 2 241.335 0.098 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1ncc(C)o1 ZINC000625465537 343871527 /nfs/dbraw/zinc/87/15/27/343871527.db2.gz IAJNEXSKYRJTAB-UHFFFAOYSA-N 1 2 225.292 0.987 20 0 BCADLO Cn1cc(CC[N@@H+]2CCC(=O)CC23CCC3)nn1 ZINC000625473417 343873158 /nfs/dbraw/zinc/87/31/58/343873158.db2.gz VDYUVAIMECRRQE-UHFFFAOYSA-N 1 2 248.330 0.945 20 0 BCADLO Cn1cc(CC[N@H+]2CCC(=O)CC23CCC3)nn1 ZINC000625473417 343873159 /nfs/dbraw/zinc/87/31/59/343873159.db2.gz VDYUVAIMECRRQE-UHFFFAOYSA-N 1 2 248.330 0.945 20 0 BCADLO CCO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000625489583 343886161 /nfs/dbraw/zinc/88/61/61/343886161.db2.gz QZEHBPFAJMARKJ-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(CC=C(C)C)nn1 ZINC000603181218 349887584 /nfs/dbraw/zinc/88/75/84/349887584.db2.gz SSEIRWRCCRIENZ-SNVBAGLBSA-N 1 2 238.291 0.287 20 0 BCADLO CSCc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000603223619 349887849 /nfs/dbraw/zinc/88/78/49/349887849.db2.gz UASUVEGQQSWFKE-UHFFFAOYSA-N 1 2 223.305 0.923 20 0 BCADLO O[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H]1O ZINC000624481079 343903285 /nfs/dbraw/zinc/90/32/85/343903285.db2.gz QPEFTXDYZPFHEV-RYUDHWBXSA-N 1 2 248.257 0.916 20 0 BCADLO C[N@H+](CN1CC(C)(C)OC1=O)[C@H]1CCOC1 ZINC000494002718 529940675 /nfs/dbraw/zinc/94/06/75/529940675.db2.gz TVKYQCQJAYCLTB-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[N@@H+](CN1CC(C)(C)OC1=O)[C@H]1CCOC1 ZINC000494002718 529940676 /nfs/dbraw/zinc/94/06/76/529940676.db2.gz TVKYQCQJAYCLTB-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO CC(C)N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000625516027 343915540 /nfs/dbraw/zinc/91/55/40/343915540.db2.gz NMPGIZFDKRBXKD-SNVBAGLBSA-N 1 2 229.324 0.367 20 0 BCADLO CC(C)N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000625516027 343915541 /nfs/dbraw/zinc/91/55/41/343915541.db2.gz NMPGIZFDKRBXKD-SNVBAGLBSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000625516768 343915583 /nfs/dbraw/zinc/91/55/83/343915583.db2.gz ZGGNOCIZESFXLT-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000625516768 343915584 /nfs/dbraw/zinc/91/55/84/343915584.db2.gz ZGGNOCIZESFXLT-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO CSCCn1cc(C[N@H+](C)CCO)nn1 ZINC000603215480 349895613 /nfs/dbraw/zinc/89/56/13/349895613.db2.gz NSXOTVIHOATNJD-UHFFFAOYSA-N 1 2 230.337 0.065 20 0 BCADLO CSCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000603215480 349895618 /nfs/dbraw/zinc/89/56/18/349895618.db2.gz NSXOTVIHOATNJD-UHFFFAOYSA-N 1 2 230.337 0.065 20 0 BCADLO CCOC(=O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000603219059 349896738 /nfs/dbraw/zinc/89/67/38/349896738.db2.gz FMDIXOGTSTZBRG-UHFFFAOYSA-N 1 2 221.220 0.226 20 0 BCADLO CCOC(=O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000603221215 349897095 /nfs/dbraw/zinc/89/70/95/349897095.db2.gz FCCHBDQYAOGXOJ-UHFFFAOYSA-N 1 2 235.247 0.237 20 0 BCADLO C[C@@H]1CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000641243477 362291919 /nfs/dbraw/zinc/29/19/19/362291919.db2.gz MRVSUWLWZCFDJG-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1c[nH]c(CN(C)CC(=O)NC(C)C)[nH+]1 ZINC000628122370 343974351 /nfs/dbraw/zinc/97/43/51/343974351.db2.gz ULWLNIAQZNFYSP-UHFFFAOYSA-N 1 2 224.308 0.675 20 0 BCADLO CC[C@@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000068409855 362269984 /nfs/dbraw/zinc/26/99/84/362269984.db2.gz NMAJPWXRIYRACS-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CSC[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600417725 343950209 /nfs/dbraw/zinc/95/02/09/343950209.db2.gz AKCUAXKLJYRHFB-VHSXEESVSA-N 1 2 246.376 0.432 20 0 BCADLO CSC[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600417725 343950211 /nfs/dbraw/zinc/95/02/11/343950211.db2.gz AKCUAXKLJYRHFB-VHSXEESVSA-N 1 2 246.376 0.432 20 0 BCADLO CSC[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600417723 343950386 /nfs/dbraw/zinc/95/03/86/343950386.db2.gz AKCUAXKLJYRHFB-NXEZZACHSA-N 1 2 246.376 0.432 20 0 BCADLO CSC[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600417723 343950387 /nfs/dbraw/zinc/95/03/87/343950387.db2.gz AKCUAXKLJYRHFB-NXEZZACHSA-N 1 2 246.376 0.432 20 0 BCADLO Cc1cccc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)[nH+]1 ZINC000521050206 343950514 /nfs/dbraw/zinc/95/05/14/343950514.db2.gz DSBNPKNIEZZYHE-NSHDSACASA-N 1 2 249.314 0.843 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000249705537 362277670 /nfs/dbraw/zinc/27/76/70/362277670.db2.gz AJRIDZBFNIYOHQ-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000249705537 362277676 /nfs/dbraw/zinc/27/76/76/362277676.db2.gz AJRIDZBFNIYOHQ-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000558547523 343958877 /nfs/dbraw/zinc/95/88/77/343958877.db2.gz SVYZXOMFIYIZDS-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO COC[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000558551501 343961813 /nfs/dbraw/zinc/96/18/13/343961813.db2.gz ZVECXNRAGHOECE-SECBINFHSA-N 1 2 223.276 0.210 20 0 BCADLO CCCOCC(=O)NCCc1cn(C)c[nH+]1 ZINC000313256501 343963392 /nfs/dbraw/zinc/96/33/92/343963392.db2.gz YKBMUGDNUXDTLG-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO CS[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600420964 343968063 /nfs/dbraw/zinc/96/80/63/343968063.db2.gz MHPZDHRSZWYMMN-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600420964 343968065 /nfs/dbraw/zinc/96/80/65/343968065.db2.gz MHPZDHRSZWYMMN-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO COc1ccnc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000624619077 344105361 /nfs/dbraw/zinc/10/53/61/344105361.db2.gz UIDFNJSHQYAEFJ-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO COc1ccnc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000624619077 344105363 /nfs/dbraw/zinc/10/53/63/344105363.db2.gz UIDFNJSHQYAEFJ-SECBINFHSA-N 1 2 238.291 0.228 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1nccnc1C(N)=O ZINC000641287269 362344755 /nfs/dbraw/zinc/34/47/55/362344755.db2.gz KCWDZWUQVZQDKL-MRVPVSSYSA-N 1 2 246.274 0.273 20 0 BCADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1nncn1C ZINC000641293867 362347863 /nfs/dbraw/zinc/34/78/63/362347863.db2.gz CGZISFYDVUSRLU-QMMMGPOBSA-N 1 2 233.275 0.876 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)CN1c1cc(CO)cc[nH+]1 ZINC000641298415 362352637 /nfs/dbraw/zinc/35/26/37/362352637.db2.gz CKFBOOGKJPYDIZ-GXSJLCMTSA-N 1 2 249.314 0.664 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000299919680 344148056 /nfs/dbraw/zinc/14/80/56/344148056.db2.gz WSSRYHWGVOWSLP-WCBMZHEXSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000299919680 344148057 /nfs/dbraw/zinc/14/80/57/344148057.db2.gz WSSRYHWGVOWSLP-WCBMZHEXSA-N 1 2 212.249 0.256 20 0 BCADLO COC(=O)c1cnc(NCCn2cc[nH+]c2)cn1 ZINC000234578357 344151989 /nfs/dbraw/zinc/15/19/89/344151989.db2.gz SMLGIOLZMRHSFQ-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO O=S1(=O)CCN(c2cc[nH+]cc2F)CC1 ZINC000641337340 362367490 /nfs/dbraw/zinc/36/74/90/362367490.db2.gz LJOYBYRDIKLBPO-UHFFFAOYSA-N 1 2 230.264 0.456 20 0 BCADLO Cc1nc2n(n1)C[C@H](Nc1cc[nH+]cc1F)CC2 ZINC000641335753 362367548 /nfs/dbraw/zinc/36/75/48/362367548.db2.gz NWESFTWWTYTMQB-SECBINFHSA-N 1 2 247.277 0.969 20 0 BCADLO CCOC(=O)C[N@H+](CC(=O)NC)C1CCCC1 ZINC000083688856 344181274 /nfs/dbraw/zinc/18/12/74/344181274.db2.gz VEIAVUCYWFCXSR-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@@H+](CC(=O)NC)C1CCCC1 ZINC000083688856 344181275 /nfs/dbraw/zinc/18/12/75/344181275.db2.gz VEIAVUCYWFCXSR-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751466 344202772 /nfs/dbraw/zinc/20/27/72/344202772.db2.gz RGZFGBWKFAPTTG-ZETCQYMHSA-N 1 2 222.235 0.088 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751466 344202774 /nfs/dbraw/zinc/20/27/74/344202774.db2.gz RGZFGBWKFAPTTG-ZETCQYMHSA-N 1 2 222.235 0.088 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NCCC1CC1 ZINC000641360031 362375748 /nfs/dbraw/zinc/37/57/48/362375748.db2.gz RFNDSTBDMNKQKF-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(F)F ZINC000091555983 344282164 /nfs/dbraw/zinc/28/21/64/344282164.db2.gz ZQFBFLCEVNZTKE-VIFPVBQESA-N 1 2 222.279 0.904 20 0 BCADLO O=C(CSCC[NH+]1CCOCC1)NC1CC1 ZINC000127366621 344242640 /nfs/dbraw/zinc/24/26/40/344242640.db2.gz COSKGCZAMURWER-UHFFFAOYSA-N 1 2 244.360 0.330 20 0 BCADLO FCCn1ncnc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779450 344312218 /nfs/dbraw/zinc/31/22/18/344312218.db2.gz QTJXPVLDRRLDAU-AOOOYVTPSA-N 1 2 240.282 0.326 20 0 BCADLO FCCn1ncnc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779450 344312220 /nfs/dbraw/zinc/31/22/20/344312220.db2.gz QTJXPVLDRRLDAU-AOOOYVTPSA-N 1 2 240.282 0.326 20 0 BCADLO Cc1ccoc1C[N@H+](C)CCNS(C)(=O)=O ZINC000093423076 344315703 /nfs/dbraw/zinc/31/57/03/344315703.db2.gz QKEYCXRHFLIFOB-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO Cc1ccoc1C[N@@H+](C)CCNS(C)(=O)=O ZINC000093423076 344315705 /nfs/dbraw/zinc/31/57/05/344315705.db2.gz QKEYCXRHFLIFOB-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CC(C)(CO)CO ZINC000093502919 344318603 /nfs/dbraw/zinc/31/86/03/344318603.db2.gz CXDUWSHJDJVGDG-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC(C)(CO)CO ZINC000093502919 344318605 /nfs/dbraw/zinc/31/86/05/344318605.db2.gz CXDUWSHJDJVGDG-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO Nc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000035609514 344330309 /nfs/dbraw/zinc/33/03/09/344330309.db2.gz UZUCMQDZAVIXDB-UHFFFAOYSA-N 1 2 249.314 0.019 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000600634337 344347309 /nfs/dbraw/zinc/34/73/09/344347309.db2.gz LBBIMALNTRWGRJ-KOLCDFICSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000600634337 344347312 /nfs/dbraw/zinc/34/73/12/344347312.db2.gz LBBIMALNTRWGRJ-KOLCDFICSA-N 1 2 235.287 0.329 20 0 BCADLO COC[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641370104 362380227 /nfs/dbraw/zinc/38/02/27/362380227.db2.gz ADBVHXFSOMOYIB-NSHDSACASA-N 1 2 226.276 0.383 20 0 BCADLO Cn1cnnc1C[N@H+](CCO)CC(C)(C)C ZINC000600645853 344351112 /nfs/dbraw/zinc/35/11/12/344351112.db2.gz PJPFLKAQESZESM-UHFFFAOYSA-N 1 2 226.324 0.656 20 0 BCADLO Cn1cnnc1C[N@@H+](CCO)CC(C)(C)C ZINC000600645853 344351115 /nfs/dbraw/zinc/35/11/15/344351115.db2.gz PJPFLKAQESZESM-UHFFFAOYSA-N 1 2 226.324 0.656 20 0 BCADLO Cn1cncc1C(=O)NCCCCn1cc[nH+]c1 ZINC000584259087 344354744 /nfs/dbraw/zinc/35/47/44/344354744.db2.gz VSZWJXNNBGEXKJ-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634777285 344302799 /nfs/dbraw/zinc/30/27/99/344302799.db2.gz GCANWQFXNJGUEL-TXEJJXNPSA-N 1 2 249.314 0.768 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1C ZINC000093049614 344307804 /nfs/dbraw/zinc/30/78/04/344307804.db2.gz ZBGXHZJANJCQBW-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1C ZINC000093049614 344307806 /nfs/dbraw/zinc/30/78/06/344307806.db2.gz ZBGXHZJANJCQBW-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1nc(C)ccc1O ZINC000093049798 344307986 /nfs/dbraw/zinc/30/79/86/344307986.db2.gz QOEUTNVHPQYOJT-LLVKDONJSA-N 1 2 249.314 0.806 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1nc(C)ccc1O ZINC000093049798 344307987 /nfs/dbraw/zinc/30/79/87/344307987.db2.gz QOEUTNVHPQYOJT-LLVKDONJSA-N 1 2 249.314 0.806 20 0 BCADLO COC[C@@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641388057 362387883 /nfs/dbraw/zinc/38/78/83/362387883.db2.gz KXMBPZVENCTNII-SNVBAGLBSA-N 1 2 226.276 0.383 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCCO1 ZINC000042469186 344456087 /nfs/dbraw/zinc/45/60/87/344456087.db2.gz YHYUDFUZQCIEMT-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1CCCO1 ZINC000042469186 344456090 /nfs/dbraw/zinc/45/60/90/344456090.db2.gz YHYUDFUZQCIEMT-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO OCCCN(CCO)c1cc[nH+]cc1F ZINC000641399611 362394019 /nfs/dbraw/zinc/39/40/19/362394019.db2.gz FWEJVGSQMQCYNQ-UHFFFAOYSA-N 1 2 214.240 0.402 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H](O)C1CCC1 ZINC000622308090 344490219 /nfs/dbraw/zinc/49/02/19/344490219.db2.gz VCDYVPUHCZAIHL-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO Cc1ccn(CC(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000622372733 344539638 /nfs/dbraw/zinc/53/96/38/344539638.db2.gz WJJGYNQGKOVDGE-UHFFFAOYSA-N 1 2 245.286 0.472 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220524862 344544477 /nfs/dbraw/zinc/54/44/77/344544477.db2.gz BLSOEVYJWOKQCK-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220524862 344544479 /nfs/dbraw/zinc/54/44/79/344544479.db2.gz BLSOEVYJWOKQCK-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220524928 344544525 /nfs/dbraw/zinc/54/45/25/344544525.db2.gz BLSOEVYJWOKQCK-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220524928 344544527 /nfs/dbraw/zinc/54/45/27/344544527.db2.gz BLSOEVYJWOKQCK-QMMMGPOBSA-N 1 2 237.303 0.402 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370901744 344550726 /nfs/dbraw/zinc/55/07/26/344550726.db2.gz AIGXOCKMOVQCKZ-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO CCOCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370901744 344550730 /nfs/dbraw/zinc/55/07/30/344550730.db2.gz AIGXOCKMOVQCKZ-SECBINFHSA-N 1 2 237.303 0.810 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ncccc1C ZINC000678514700 488263624 /nfs/dbraw/zinc/26/36/24/488263624.db2.gz QDQICEFADPVFNH-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ncccc1C ZINC000678514700 488263625 /nfs/dbraw/zinc/26/36/25/488263625.db2.gz QDQICEFADPVFNH-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO NC(=O)C1([NH2+]Cc2nc(-c3ccoc3)no2)CC1 ZINC000152435001 344564013 /nfs/dbraw/zinc/56/40/13/344564013.db2.gz YATCKMRWABCCQO-UHFFFAOYSA-N 1 2 248.242 0.437 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000127567874 344564401 /nfs/dbraw/zinc/56/44/01/344564401.db2.gz LHBRKVZKVBGIOT-VHSXEESVSA-N 1 2 247.335 0.561 20 0 BCADLO OCC[C@@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641440267 362420416 /nfs/dbraw/zinc/42/04/16/362420416.db2.gz HUTOPEDLIZUPEV-LBPRGKRZSA-N 1 2 240.278 0.844 20 0 BCADLO CN1CCC[C@H](Nc2cc[nH+]cc2F)C1=O ZINC000641441107 362420817 /nfs/dbraw/zinc/42/08/17/362420817.db2.gz OHOQRGFEOXVKKZ-JTQLQIEISA-N 1 2 223.251 0.675 20 0 BCADLO O=C1C[C@@H](Nc2cc(CO)cc[nH+]2)CN1C1CC1 ZINC000641443472 362421791 /nfs/dbraw/zinc/42/17/91/362421791.db2.gz QRCYAHYNOWEKID-SNVBAGLBSA-N 1 2 247.298 0.749 20 0 BCADLO OC1(CC[N@@H+]2CCn3nncc3C2)CCC1 ZINC000580324808 347055544 /nfs/dbraw/zinc/05/55/44/347055544.db2.gz GDMLKGAMRWPXNI-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO OC1(CC[N@H+]2CCn3nncc3C2)CCC1 ZINC000580324808 347055545 /nfs/dbraw/zinc/05/55/45/347055545.db2.gz GDMLKGAMRWPXNI-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO Cn1c[nH+]c(Cn2ccnc2S(C)(=O)=O)c1 ZINC000641460628 362433914 /nfs/dbraw/zinc/43/39/14/362433914.db2.gz VMGCIIRTSDECQA-UHFFFAOYSA-N 1 2 240.288 0.068 20 0 BCADLO Cn1cc([C@H](CO)Nc2cc[nH+]cc2F)cn1 ZINC000641462259 362436578 /nfs/dbraw/zinc/43/65/78/362436578.db2.gz ILCFQXDJZVAURK-NSHDSACASA-N 1 2 236.250 0.522 20 0 BCADLO CC1(F)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641469480 362437794 /nfs/dbraw/zinc/43/77/94/362437794.db2.gz QSGVTCCUCVEZDA-UHFFFAOYSA-N 1 2 247.295 0.257 20 0 BCADLO CC[C@@H]1C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641475160 362444145 /nfs/dbraw/zinc/44/41/45/362444145.db2.gz DOWKXJOGRWIFHV-NXEZZACHSA-N 1 2 243.332 0.601 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000048299385 344585588 /nfs/dbraw/zinc/58/55/88/344585588.db2.gz MTDXILXBSYOSCD-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000048299385 344585590 /nfs/dbraw/zinc/58/55/90/344585590.db2.gz MTDXILXBSYOSCD-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000048299381 344585797 /nfs/dbraw/zinc/58/57/97/344585797.db2.gz MTDXILXBSYOSCD-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000048299381 344585800 /nfs/dbraw/zinc/58/58/00/344585800.db2.gz MTDXILXBSYOSCD-NSHDSACASA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nc(C)no1 ZINC000048336100 344586592 /nfs/dbraw/zinc/58/65/92/344586592.db2.gz DKLARRDDNNNJOM-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc(C)no1 ZINC000048336100 344586594 /nfs/dbraw/zinc/58/65/94/344586594.db2.gz DKLARRDDNNNJOM-ZETCQYMHSA-N 1 2 227.264 0.619 20 0 BCADLO Cn1cc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000641488992 362457656 /nfs/dbraw/zinc/45/76/56/362457656.db2.gz YTOCYTXPYODBOV-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641512571 362469786 /nfs/dbraw/zinc/46/97/86/362469786.db2.gz IUTOUVWLTCKCTC-VHSXEESVSA-N 1 2 243.332 0.553 20 0 BCADLO C[C@@H](Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC000518783042 259378758 /nfs/dbraw/zinc/37/87/58/259378758.db2.gz WWIZFCDIFQGREP-JTQLQIEISA-N 1 2 247.302 0.364 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](CCF)C1)NC1CC1 ZINC000625998983 344660918 /nfs/dbraw/zinc/66/09/18/344660918.db2.gz DPUSDZZBKGXZBS-SNVBAGLBSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](CCF)C1)NC1CC1 ZINC000625998983 344660919 /nfs/dbraw/zinc/66/09/19/344660919.db2.gz DPUSDZZBKGXZBS-SNVBAGLBSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000625999326 344661280 /nfs/dbraw/zinc/66/12/80/344661280.db2.gz PMMPKEWQWMLHDD-NXEZZACHSA-N 1 2 232.299 0.524 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CCF)C1 ZINC000625999326 344661282 /nfs/dbraw/zinc/66/12/82/344661282.db2.gz PMMPKEWQWMLHDD-NXEZZACHSA-N 1 2 232.299 0.524 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000133 344661528 /nfs/dbraw/zinc/66/15/28/344661528.db2.gz JVXHWKFPKYMHJB-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000133 344661531 /nfs/dbraw/zinc/66/15/31/344661531.db2.gz JVXHWKFPKYMHJB-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000141 344661839 /nfs/dbraw/zinc/66/18/39/344661839.db2.gz JYUBMFUVIJUDPH-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626000141 344661841 /nfs/dbraw/zinc/66/18/41/344661841.db2.gz JYUBMFUVIJUDPH-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006161 344664635 /nfs/dbraw/zinc/66/46/35/344664635.db2.gz SCRTZQDRMPIHRC-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006161 344664636 /nfs/dbraw/zinc/66/46/36/344664636.db2.gz SCRTZQDRMPIHRC-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@H](CCF)C2)nn1 ZINC000626007119 344665665 /nfs/dbraw/zinc/66/56/65/344665665.db2.gz UXXKWVVBISMGNX-LLVKDONJSA-N 1 2 242.298 0.418 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@H](CCF)C2)nn1 ZINC000626007119 344665667 /nfs/dbraw/zinc/66/56/67/344665667.db2.gz UXXKWVVBISMGNX-LLVKDONJSA-N 1 2 242.298 0.418 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCO[C@H](CCF)C1 ZINC000626004215 344666276 /nfs/dbraw/zinc/66/62/76/344666276.db2.gz BQFLXZCBDHIXNX-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCO[C@H](CCF)C1 ZINC000626004215 344666278 /nfs/dbraw/zinc/66/62/78/344666278.db2.gz BQFLXZCBDHIXNX-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005650 344668102 /nfs/dbraw/zinc/66/81/02/344668102.db2.gz HCRWSMDWCORLIN-WDEREUQCSA-N 1 2 233.283 0.387 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005650 344668104 /nfs/dbraw/zinc/66/81/04/344668104.db2.gz HCRWSMDWCORLIN-WDEREUQCSA-N 1 2 233.283 0.387 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005649 344668452 /nfs/dbraw/zinc/66/84/52/344668452.db2.gz HCRWSMDWCORLIN-QWRGUYRKSA-N 1 2 233.283 0.387 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005649 344668454 /nfs/dbraw/zinc/66/84/54/344668454.db2.gz HCRWSMDWCORLIN-QWRGUYRKSA-N 1 2 233.283 0.387 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@H+](CCc1cnn[nH]1)C2 ZINC000626015307 344671396 /nfs/dbraw/zinc/67/13/96/344671396.db2.gz QALSWYISWDVWOB-CMPLNLGQSA-N 1 2 236.319 0.442 20 0 BCADLO OC[C@]12CCC[C@H]1C[N@@H+](CCc1cnn[nH]1)C2 ZINC000626015307 344671397 /nfs/dbraw/zinc/67/13/97/344671397.db2.gz QALSWYISWDVWOB-CMPLNLGQSA-N 1 2 236.319 0.442 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)[nH]1 ZINC000626014834 344672912 /nfs/dbraw/zinc/67/29/12/344672912.db2.gz WTBHIJYGGKYHCV-GZMMTYOYSA-N 1 2 238.291 0.105 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)[nH]1 ZINC000626014834 344672915 /nfs/dbraw/zinc/67/29/15/344672915.db2.gz WTBHIJYGGKYHCV-GZMMTYOYSA-N 1 2 238.291 0.105 20 0 BCADLO C[C@@H](O)CN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000518782920 259378685 /nfs/dbraw/zinc/37/86/85/259378685.db2.gz QTQWFUTUWLXLEB-MRVPVSSYSA-N 1 2 247.245 0.358 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)C1O ZINC000618268407 344720006 /nfs/dbraw/zinc/72/00/06/344720006.db2.gz CWLDGXJWESNSIL-UWVGGRQHSA-N 1 2 237.303 0.358 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)n1 ZINC000626076070 344723149 /nfs/dbraw/zinc/72/31/49/344723149.db2.gz DIKPDCUZUYCTMF-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)n1 ZINC000626076070 344723150 /nfs/dbraw/zinc/72/31/50/344723150.db2.gz DIKPDCUZUYCTMF-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCOC2)C1 ZINC000570942429 323076336 /nfs/dbraw/zinc/07/63/36/323076336.db2.gz XCFYFCKMQHTHKA-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CCc1nnc(C[N@H+](C)CCn2cccn2)[nH]1 ZINC000181698003 347069374 /nfs/dbraw/zinc/06/93/74/347069374.db2.gz GJLYHHXBJUDVDL-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCn2cccn2)[nH]1 ZINC000181698003 347069377 /nfs/dbraw/zinc/06/93/77/347069377.db2.gz GJLYHHXBJUDVDL-UHFFFAOYSA-N 1 2 234.307 0.696 20 0 BCADLO CC[C@H](CCO)NC(=O)NCCn1cc[nH+]c1 ZINC000152727066 344684156 /nfs/dbraw/zinc/68/41/56/344684156.db2.gz NQFDFOBYCKWRMN-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO CC[C@@H](CCO)NC(=O)NCCn1cc[nH+]c1 ZINC000152726966 344684270 /nfs/dbraw/zinc/68/42/70/344684270.db2.gz NQFDFOBYCKWRMN-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000626036974 344687122 /nfs/dbraw/zinc/68/71/22/344687122.db2.gz VBJSWJZWJUSBRB-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000626036974 344687125 /nfs/dbraw/zinc/68/71/25/344687125.db2.gz VBJSWJZWJUSBRB-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)no1 ZINC000626037653 344688926 /nfs/dbraw/zinc/68/89/26/344688926.db2.gz YKXUXVLCDVDGBA-OCAPTIKFSA-N 1 2 224.264 0.074 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)no1 ZINC000626037653 344688927 /nfs/dbraw/zinc/68/89/27/344688927.db2.gz YKXUXVLCDVDGBA-OCAPTIKFSA-N 1 2 224.264 0.074 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000259867636 344696761 /nfs/dbraw/zinc/69/67/61/344696761.db2.gz CGVMEFNAJXEVEV-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000259867636 344696763 /nfs/dbraw/zinc/69/67/63/344696763.db2.gz CGVMEFNAJXEVEV-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)CCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000050065220 344718277 /nfs/dbraw/zinc/71/82/77/344718277.db2.gz GYQSEVONCKMZAL-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO COC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000050065220 344718279 /nfs/dbraw/zinc/71/82/79/344718279.db2.gz GYQSEVONCKMZAL-QMMMGPOBSA-N 1 2 217.265 0.433 20 0 BCADLO COC(=O)CCC[N@H+](C)[C@H](C)C(=O)OC ZINC000050065221 344718563 /nfs/dbraw/zinc/71/85/63/344718563.db2.gz GYQSEVONCKMZAL-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO COC(=O)CCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000050065221 344718565 /nfs/dbraw/zinc/71/85/65/344718565.db2.gz GYQSEVONCKMZAL-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CCCCO ZINC000385023376 344767549 /nfs/dbraw/zinc/76/75/49/344767549.db2.gz XFGWUHQWHYCOFD-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CCCCO ZINC000385023376 344767550 /nfs/dbraw/zinc/76/75/50/344767550.db2.gz XFGWUHQWHYCOFD-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO CCCC[C@@H](COC)[NH2+]Cc1nnn(C)n1 ZINC000309479289 347072882 /nfs/dbraw/zinc/07/28/82/347072882.db2.gz AAUGSSXGBDYKAO-VIFPVBQESA-N 1 2 227.312 0.505 20 0 BCADLO CN1CC2(C[NH+](C[C@H](O)C(C)(C)C)C2)OC1=O ZINC000496218696 530047292 /nfs/dbraw/zinc/04/72/92/530047292.db2.gz ODLKWZYPOQUBMV-VIFPVBQESA-N 1 2 242.319 0.530 20 0 BCADLO CN1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000493710700 530055281 /nfs/dbraw/zinc/05/52/81/530055281.db2.gz COQWWQOUGBVENF-ORAHPGNNSA-N 1 2 248.286 0.160 20 0 BCADLO CC(C)N1C(=O)C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000075924704 344788227 /nfs/dbraw/zinc/78/82/27/344788227.db2.gz CMQSOYTWMZZCSY-SECBINFHSA-N 1 2 241.335 0.191 20 0 BCADLO CC(C)N1C(=O)C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000075924704 344788228 /nfs/dbraw/zinc/78/82/28/344788228.db2.gz CMQSOYTWMZZCSY-SECBINFHSA-N 1 2 241.335 0.191 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291299175 537858646 /nfs/dbraw/zinc/85/86/46/537858646.db2.gz SFIDMHLRTYAPOH-VHSXEESVSA-N 1 2 223.276 0.461 20 0 BCADLO CCc1cc(NCCCNC(C)=O)nc[nH+]1 ZINC000309490138 347077556 /nfs/dbraw/zinc/07/75/56/347077556.db2.gz WWAUYNYSAMVTAC-UHFFFAOYSA-N 1 2 222.292 0.977 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709092 344808373 /nfs/dbraw/zinc/80/83/73/344808373.db2.gz XSRWWKJSLZSEIF-SCZZXKLOSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709092 344808376 /nfs/dbraw/zinc/80/83/76/344808376.db2.gz XSRWWKJSLZSEIF-SCZZXKLOSA-N 1 2 228.292 0.148 20 0 BCADLO CCCN(CC(=O)NC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628152926 344841715 /nfs/dbraw/zinc/84/17/15/344841715.db2.gz SOXUTHZWTHLJLP-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000078269022 344839931 /nfs/dbraw/zinc/83/99/31/344839931.db2.gz QWFJJRHORKTTRO-LBPRGKRZSA-N 1 2 249.314 0.728 20 0 BCADLO CCOc1ncccc1C(=O)N1CC[NH+](C)CC1 ZINC000078377156 344854447 /nfs/dbraw/zinc/85/44/47/344854447.db2.gz MZQRMGNYPBNUNC-UHFFFAOYSA-N 1 2 249.314 0.868 20 0 BCADLO COCCN(CCO)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628162413 344863495 /nfs/dbraw/zinc/86/34/95/344863495.db2.gz PHKKPZZAFWSOGX-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C)c(C)[nH]1 ZINC000628162413 344863497 /nfs/dbraw/zinc/86/34/97/344863497.db2.gz PHKKPZZAFWSOGX-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C)c(C)[nH]1 ZINC000628162413 344863500 /nfs/dbraw/zinc/86/35/00/344863500.db2.gz PHKKPZZAFWSOGX-UHFFFAOYSA-N 1 2 227.308 0.467 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)CC2)[nH+]1 ZINC000628163585 344866723 /nfs/dbraw/zinc/86/67/23/344866723.db2.gz JMZQMTRWZMMAPC-UHFFFAOYSA-N 1 2 208.265 0.040 20 0 BCADLO Cc1nc(N2CCC[C@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000078568826 344884487 /nfs/dbraw/zinc/88/44/87/344884487.db2.gz KHSIHWQPAYCMED-ZDUSSCGKSA-N 1 2 246.314 0.892 20 0 BCADLO CCCN(CC(N)=O)Cc1[nH]cc(C)[nH+]1 ZINC000628292744 347084769 /nfs/dbraw/zinc/08/47/69/347084769.db2.gz RINOLYGJCNLSLU-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO Cc1nc(C[N@H+](CCO)CCCO)[nH]c1C ZINC000628170456 344887538 /nfs/dbraw/zinc/88/75/38/344887538.db2.gz BFIQLWOOCYUDFH-UHFFFAOYSA-N 1 2 227.308 0.203 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CCCO)[nH]c1C ZINC000628170456 344887539 /nfs/dbraw/zinc/88/75/39/344887539.db2.gz BFIQLWOOCYUDFH-UHFFFAOYSA-N 1 2 227.308 0.203 20 0 BCADLO Cc1[nH]c(CN(CCO)CCCO)[nH+]c1C ZINC000628170456 344887541 /nfs/dbraw/zinc/88/75/41/344887541.db2.gz BFIQLWOOCYUDFH-UHFFFAOYSA-N 1 2 227.308 0.203 20 0 BCADLO Cc1[nH]c(CN2CCN(C)C(=O)C2)[nH+]c1C ZINC000628178002 344907322 /nfs/dbraw/zinc/90/73/22/344907322.db2.gz ZATPHEQGMDHDDS-UHFFFAOYSA-N 1 2 222.292 0.301 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000408248653 344907602 /nfs/dbraw/zinc/90/76/02/344907602.db2.gz WOEPIUGVMQYTSX-SECBINFHSA-N 1 2 239.323 0.242 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000408248653 344907603 /nfs/dbraw/zinc/90/76/03/344907603.db2.gz WOEPIUGVMQYTSX-SECBINFHSA-N 1 2 239.323 0.242 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@@H](CO)O1 ZINC000249392013 537872548 /nfs/dbraw/zinc/87/25/48/537872548.db2.gz SCCZFILLBJTULP-ONGXEEELSA-N 1 2 223.276 0.058 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@@H](CO)O1 ZINC000249392013 537872553 /nfs/dbraw/zinc/87/25/53/537872553.db2.gz SCCZFILLBJTULP-ONGXEEELSA-N 1 2 223.276 0.058 20 0 BCADLO CNC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628184746 344933634 /nfs/dbraw/zinc/93/36/34/344933634.db2.gz XBYZXCPWKRRNMG-UHFFFAOYSA-N 1 2 237.307 0.175 20 0 BCADLO COC(=O)[C@@](C)(O)C[NH+]1CC(C(F)(F)F)C1 ZINC000583421999 344934847 /nfs/dbraw/zinc/93/48/47/344934847.db2.gz ALCKWXUFVDWCDW-QMMMGPOBSA-N 1 2 241.209 0.405 20 0 BCADLO Cc1[nH]c(CN(C)Cc2nc[nH]n2)[nH+]c1C ZINC000628179934 344915595 /nfs/dbraw/zinc/91/55/95/344915595.db2.gz VEXJVQFUHCIODI-UHFFFAOYSA-N 1 2 220.280 0.777 20 0 BCADLO Cc1[nH]c(CN(C)Cc2nnc[nH]2)[nH+]c1C ZINC000628179934 344915597 /nfs/dbraw/zinc/91/55/97/344915597.db2.gz VEXJVQFUHCIODI-UHFFFAOYSA-N 1 2 220.280 0.777 20 0 BCADLO COCCOCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000079431814 344969093 /nfs/dbraw/zinc/96/90/93/344969093.db2.gz FPIGYMRTVTZQLJ-UHFFFAOYSA-N 1 2 243.307 0.866 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1ccon1 ZINC000122715629 344970909 /nfs/dbraw/zinc/97/09/09/344970909.db2.gz YDOISIRIYHRIHT-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccon1 ZINC000122715629 344970910 /nfs/dbraw/zinc/97/09/10/344970910.db2.gz YDOISIRIYHRIHT-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H]2CCNC2=O)[nH+]1 ZINC000628191483 344945916 /nfs/dbraw/zinc/94/59/16/344945916.db2.gz LXDXWFQWTHAGTJ-QMMMGPOBSA-N 1 2 208.265 0.038 20 0 BCADLO COC(=O)CN(Cc1[nH+]ccn1C)C1CC1 ZINC000079501203 344981955 /nfs/dbraw/zinc/98/19/55/344981955.db2.gz AUVROWCAKCINCL-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO Cc1ccc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000153873590 344990588 /nfs/dbraw/zinc/99/05/88/344990588.db2.gz AIRVIBXZEZNTJW-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000153873590 344990590 /nfs/dbraw/zinc/99/05/90/344990590.db2.gz AIRVIBXZEZNTJW-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO OC[C@H](CNc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641549123 362497304 /nfs/dbraw/zinc/49/73/04/362497304.db2.gz SYEDCXNOEFOGLP-UWVGGRQHSA-N 1 2 240.278 0.700 20 0 BCADLO OC[C@@H](CNc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641549124 362497738 /nfs/dbraw/zinc/49/77/38/362497738.db2.gz SYEDCXNOEFOGLP-VHSXEESVSA-N 1 2 240.278 0.700 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154139813 345017235 /nfs/dbraw/zinc/01/72/35/345017235.db2.gz CNCOVIFYTQNNDE-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000154139813 345017239 /nfs/dbraw/zinc/01/72/39/345017239.db2.gz CNCOVIFYTQNNDE-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154236493 345021887 /nfs/dbraw/zinc/02/18/87/345021887.db2.gz NDHGXONSBQZMDG-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154236493 345021888 /nfs/dbraw/zinc/02/18/88/345021888.db2.gz NDHGXONSBQZMDG-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154298579 345025560 /nfs/dbraw/zinc/02/55/60/345025560.db2.gz HLXWVEJXYIEYDF-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154298579 345025562 /nfs/dbraw/zinc/02/55/62/345025562.db2.gz HLXWVEJXYIEYDF-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(F)(F)C[C@@H]1CO ZINC000673231788 488280295 /nfs/dbraw/zinc/28/02/95/488280295.db2.gz CELRSWYZHXGERU-MRVPVSSYSA-N 1 2 245.229 0.112 20 0 BCADLO CC[C@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000079767343 345033518 /nfs/dbraw/zinc/03/35/18/345033518.db2.gz QSAXNBYCURLZCG-VIFPVBQESA-N 1 2 201.266 0.395 20 0 BCADLO CC[C@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000079767343 345033522 /nfs/dbraw/zinc/03/35/22/345033522.db2.gz QSAXNBYCURLZCG-VIFPVBQESA-N 1 2 201.266 0.395 20 0 BCADLO CCCSCC(=O)N1CC[NH+](CCO)CC1 ZINC000079833642 345044358 /nfs/dbraw/zinc/04/43/58/345044358.db2.gz LLBOCRRABLTQBF-UHFFFAOYSA-N 1 2 246.376 0.266 20 0 BCADLO NC(=O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000678787339 488282652 /nfs/dbraw/zinc/28/26/52/488282652.db2.gz JUFCFIDNCJNHGB-ZETCQYMHSA-N 1 2 209.224 0.532 20 0 BCADLO C[C@@H](O)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000641658265 362582191 /nfs/dbraw/zinc/58/21/91/362582191.db2.gz BIYXPWGSZAEMRV-SECBINFHSA-N 1 2 245.286 0.479 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc[nH+]cc1F ZINC000641645619 362572259 /nfs/dbraw/zinc/57/22/59/362572259.db2.gz IMVNCIGKXVMPPA-NXEZZACHSA-N 1 2 212.224 0.468 20 0 BCADLO CC(=O)NCCN(C)c1cc[nH+]cc1F ZINC000641645802 362572278 /nfs/dbraw/zinc/57/22/78/362572278.db2.gz KXCHSOJBPYILBX-UHFFFAOYSA-N 1 2 211.240 0.793 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000641650523 362575967 /nfs/dbraw/zinc/57/59/67/362575967.db2.gz RRQAKCZJQZKXQB-GHMZBOCLSA-N 1 2 238.287 0.160 20 0 BCADLO OCc1cc[nH+]c(NCC[C@@]2(O)CCOC2)c1 ZINC000641649523 362577185 /nfs/dbraw/zinc/57/71/85/362577185.db2.gz HVWWTPOZEUUYBD-GFCCVEGCSA-N 1 2 238.287 0.527 20 0 BCADLO C[C@H]1CN(c2cc[nH+]cc2F)CC(=O)N1 ZINC000641620657 362555382 /nfs/dbraw/zinc/55/53/82/362555382.db2.gz XMZHISPDIUAWJM-ZETCQYMHSA-N 1 2 209.224 0.545 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC(=O)N1 ZINC000641620656 362555431 /nfs/dbraw/zinc/55/54/31/362555431.db2.gz XMZHISPDIUAWJM-SSDOTTSWSA-N 1 2 209.224 0.545 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641629058 362559563 /nfs/dbraw/zinc/55/95/63/362559563.db2.gz BCXOOXMEZSOXHV-VHSXEESVSA-N 1 2 224.260 0.400 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]cc2F)CC[C@@H]1O ZINC000641635291 362565086 /nfs/dbraw/zinc/56/50/86/362565086.db2.gz ATJQBHQTBRXYJV-KWQFWETISA-N 1 2 226.251 0.400 20 0 BCADLO CC(C)NC(=O)[C@@H](C)Nc1cc[nH+]cc1F ZINC000641635428 362565222 /nfs/dbraw/zinc/56/52/22/362565222.db2.gz GPTJIWRUMSTTTC-MRVPVSSYSA-N 1 2 225.267 0.968 20 0 BCADLO C[C@H](O)[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641638370 362565896 /nfs/dbraw/zinc/56/58/96/362565896.db2.gz OXMMXLYYUGBCCJ-GZMMTYOYSA-N 1 2 226.251 0.807 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634986164 345165986 /nfs/dbraw/zinc/16/59/86/345165986.db2.gz NRUREXHAHLYPPP-QMMMGPOBSA-N 1 2 249.245 0.945 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2ccon2)CC1=O ZINC000634983546 345166684 /nfs/dbraw/zinc/16/66/84/345166684.db2.gz RCUNFHYOSSTPKK-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)nc[nH+]1 ZINC000156554731 345176009 /nfs/dbraw/zinc/17/60/09/345176009.db2.gz CIDSLYHFXKXVQP-AXFHLTTASA-N 1 2 219.288 0.992 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156109895 345126007 /nfs/dbraw/zinc/12/60/07/345126007.db2.gz YDAWYCWAJGBHTO-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156109895 345126009 /nfs/dbraw/zinc/12/60/09/345126009.db2.gz YDAWYCWAJGBHTO-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156119520 345129614 /nfs/dbraw/zinc/12/96/14/345129614.db2.gz IOIWTKLWOJKCJW-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156119520 345129617 /nfs/dbraw/zinc/12/96/17/345129617.db2.gz IOIWTKLWOJKCJW-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N(C)CC2CC2)[C@@H]1C ZINC000156223737 345140062 /nfs/dbraw/zinc/14/00/62/345140062.db2.gz PFZOOCVEBAZCEF-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N(C)CC2CC2)[C@@H]1C ZINC000156223737 345140063 /nfs/dbraw/zinc/14/00/63/345140063.db2.gz PFZOOCVEBAZCEF-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](C[S@@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603333096 349925668 /nfs/dbraw/zinc/92/56/68/349925668.db2.gz CZGBJTQRPOJUHR-ANRSDYALSA-N 1 2 228.317 0.753 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2ccncc2)[nH+]1 ZINC000635135430 345256531 /nfs/dbraw/zinc/25/65/31/345256531.db2.gz PRYFPHSELZBPJG-UHFFFAOYSA-N 1 2 230.271 0.970 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635077498 345241447 /nfs/dbraw/zinc/24/14/47/345241447.db2.gz KKAZABAUPHPNKX-IWSPIJDZSA-N 1 2 223.276 0.664 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635077498 345241449 /nfs/dbraw/zinc/24/14/49/345241449.db2.gz KKAZABAUPHPNKX-IWSPIJDZSA-N 1 2 223.276 0.664 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000129632705 345260690 /nfs/dbraw/zinc/26/06/90/345260690.db2.gz CHVGGSYEFCRCMC-UWVGGRQHSA-N 1 2 237.303 0.549 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635224435 345278093 /nfs/dbraw/zinc/27/80/93/345278093.db2.gz XRDAUZWDALYCAS-NXEZZACHSA-N 1 2 245.286 0.861 20 0 BCADLO Cc1n[nH]cc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635224435 345278094 /nfs/dbraw/zinc/27/80/94/345278094.db2.gz XRDAUZWDALYCAS-NXEZZACHSA-N 1 2 245.286 0.861 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000130709181 345281495 /nfs/dbraw/zinc/28/14/95/345281495.db2.gz OZPWJBUAIKNFDA-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000130709181 345281500 /nfs/dbraw/zinc/28/15/00/345281500.db2.gz OZPWJBUAIKNFDA-LLVKDONJSA-N 1 2 219.288 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H](O)C2)[nH+]1 ZINC000635248140 345284439 /nfs/dbraw/zinc/28/44/39/345284439.db2.gz HSISICSMNHFFDF-SNVBAGLBSA-N 1 2 237.303 0.498 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)O)[nH+]1 ZINC000635249460 345286792 /nfs/dbraw/zinc/28/67/92/345286792.db2.gz WEDQVQFOIUAAKY-SSDOTTSWSA-N 1 2 211.265 0.012 20 0 BCADLO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000635257574 345289116 /nfs/dbraw/zinc/28/91/16/345289116.db2.gz HLEIQJKMVZOOOB-PHIMTYICSA-N 1 2 249.314 0.535 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000635281344 345293880 /nfs/dbraw/zinc/29/38/80/345293880.db2.gz OSCFTYRPLZRKSH-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO Cc1cn2ccc(C(=O)N(C)CC(N)=O)cc2[nH+]1 ZINC000635301062 345299378 /nfs/dbraw/zinc/29/93/78/345299378.db2.gz RRIFGMOMHLJBQI-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO C[C@@H](CNC(=O)c1cccnn1)Cn1cc[nH+]c1 ZINC000528632047 345300813 /nfs/dbraw/zinc/30/08/13/345300813.db2.gz DDZPGAPRDIYNCA-JTQLQIEISA-N 1 2 245.286 0.739 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000131765164 345307628 /nfs/dbraw/zinc/30/76/28/345307628.db2.gz DQCOIZVFWOEXCA-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(CO)c1 ZINC000635327571 345309380 /nfs/dbraw/zinc/30/93/80/345309380.db2.gz ZWZOJHMTOQFMBU-SECBINFHSA-N 1 2 249.270 0.787 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](C)COC)[nH+]1 ZINC000635429438 345365499 /nfs/dbraw/zinc/36/54/99/345365499.db2.gz ZJSFBHPGJGNVBW-VIFPVBQESA-N 1 2 239.319 0.913 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635480957 345390334 /nfs/dbraw/zinc/39/03/34/345390334.db2.gz JRCXWTIOFLTULU-HTQZYQBOSA-N 1 2 244.254 0.840 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635480957 345390335 /nfs/dbraw/zinc/39/03/35/345390335.db2.gz JRCXWTIOFLTULU-HTQZYQBOSA-N 1 2 244.254 0.840 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635457092 345380361 /nfs/dbraw/zinc/38/03/61/345380361.db2.gz BNGNXGDRQORGPO-OCAPTIKFSA-N 1 2 222.244 0.800 20 0 BCADLO Cc1nnc(NC[C@H]2C[N@H+](C)CCO2)nc1C ZINC000158841148 345381943 /nfs/dbraw/zinc/38/19/43/345381943.db2.gz PNXWFDUSOWMBHZ-JTQLQIEISA-N 1 2 237.307 0.231 20 0 BCADLO Cc1nnc(NC[C@H]2C[N@@H+](C)CCO2)nc1C ZINC000158841148 345381946 /nfs/dbraw/zinc/38/19/46/345381946.db2.gz PNXWFDUSOWMBHZ-JTQLQIEISA-N 1 2 237.307 0.231 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCOC1 ZINC000158967707 345393652 /nfs/dbraw/zinc/39/36/52/345393652.db2.gz YYYUTJCDKLVECJ-ZJUUUORDSA-N 1 2 238.291 0.360 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnc(C)[nH]1 ZINC000575330012 345394960 /nfs/dbraw/zinc/39/49/60/345394960.db2.gz XUVNBXUXBNAVPQ-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635491494 345395307 /nfs/dbraw/zinc/39/53/07/345395307.db2.gz NYFBWDCFVHYHIM-GARJFASQSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635491495 345395731 /nfs/dbraw/zinc/39/57/31/345395731.db2.gz NYFBWDCFVHYHIM-MXWKQRLJSA-N 1 2 249.314 0.887 20 0 BCADLO CN(C[C@H]1COCCO1)c1cc(CO)cc[nH+]1 ZINC000641659912 362585210 /nfs/dbraw/zinc/58/52/10/362585210.db2.gz UDZIMZAADFGRDR-NSHDSACASA-N 1 2 238.287 0.426 20 0 BCADLO Cc1nc2[nH]ccc2c(N(CCO)CCO)[nH+]1 ZINC000081005235 345460672 /nfs/dbraw/zinc/46/06/72/345460672.db2.gz SFQYAEVLIADMST-UHFFFAOYSA-N 1 2 236.275 0.057 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193687136 192089122 /nfs/dbraw/zinc/08/91/22/192089122.db2.gz OXRNLDLJWMUYPY-XCBNKYQSSA-N 1 2 222.292 0.332 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000068951136 349931850 /nfs/dbraw/zinc/93/18/50/349931850.db2.gz YWOBLZFXCGXWEW-UWVGGRQHSA-N 1 2 233.308 0.171 20 0 BCADLO CCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000070232636 345544812 /nfs/dbraw/zinc/54/48/12/345544812.db2.gz XBSHVPAAIYRGDV-UHFFFAOYSA-N 1 2 218.322 0.116 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000635544787 345562059 /nfs/dbraw/zinc/56/20/59/345562059.db2.gz MMEMMRSIEGPVAN-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO COC[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000091531641 345596140 /nfs/dbraw/zinc/59/61/40/345596140.db2.gz RNGDSYSFXDGQRB-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCO1 ZINC000091552113 345597672 /nfs/dbraw/zinc/59/76/72/345597672.db2.gz ZDYWTXCTXXJAFQ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCO1 ZINC000091552113 345597675 /nfs/dbraw/zinc/59/76/75/345597675.db2.gz ZDYWTXCTXXJAFQ-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2C2CCC2)[nH]1 ZINC000091555248 345598705 /nfs/dbraw/zinc/59/87/05/345598705.db2.gz IEMXERINIAJILT-SECBINFHSA-N 1 2 222.292 0.863 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2C2CCC2)[nH]1 ZINC000091555248 345598708 /nfs/dbraw/zinc/59/87/08/345598708.db2.gz IEMXERINIAJILT-SECBINFHSA-N 1 2 222.292 0.863 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580153 345598984 /nfs/dbraw/zinc/59/89/84/345598984.db2.gz NRYZMZBJHLTQNZ-RKDXNWHRSA-N 1 2 240.307 0.223 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580153 345598986 /nfs/dbraw/zinc/59/89/86/345598986.db2.gz NRYZMZBJHLTQNZ-RKDXNWHRSA-N 1 2 240.307 0.223 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092216928 345608395 /nfs/dbraw/zinc/60/83/95/345608395.db2.gz HIIOMRGVDBOQSW-NXEZZACHSA-N 1 2 237.303 0.804 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)no1 ZINC000626137285 345608990 /nfs/dbraw/zinc/60/89/90/345608990.db2.gz APXMDQMRULYONZ-IQJOONFLSA-N 1 2 223.276 0.723 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)no1 ZINC000626137285 345608992 /nfs/dbraw/zinc/60/89/92/345608992.db2.gz APXMDQMRULYONZ-IQJOONFLSA-N 1 2 223.276 0.723 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](C1CCCC1)C2 ZINC000091966291 345613830 /nfs/dbraw/zinc/61/38/30/345613830.db2.gz ANMOLQDPFKQDJL-UHFFFAOYSA-N 1 2 222.292 0.340 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](C1CCCC1)C2 ZINC000091966291 345613832 /nfs/dbraw/zinc/61/38/32/345613832.db2.gz ANMOLQDPFKQDJL-UHFFFAOYSA-N 1 2 222.292 0.340 20 0 BCADLO Cn1nc2n(c1=O)CC[N@@H+](CC(C)(C)C)C2 ZINC000091965845 345613975 /nfs/dbraw/zinc/61/39/75/345613975.db2.gz IIJUFDXEZNEPKE-UHFFFAOYSA-N 1 2 224.308 0.444 20 0 BCADLO Cn1nc2n(c1=O)CC[N@H+](CC(C)(C)C)C2 ZINC000091965845 345613977 /nfs/dbraw/zinc/61/39/77/345613977.db2.gz IIJUFDXEZNEPKE-UHFFFAOYSA-N 1 2 224.308 0.444 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000092281153 345627127 /nfs/dbraw/zinc/62/71/27/345627127.db2.gz HSNVAKAPJRUZPD-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO FC(F)CN1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000092586585 345640596 /nfs/dbraw/zinc/64/05/96/345640596.db2.gz CBIGIEPEMCTCKJ-UHFFFAOYSA-N 1 2 230.262 0.792 20 0 BCADLO FC(F)CN1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000092586585 345640599 /nfs/dbraw/zinc/64/05/99/345640599.db2.gz CBIGIEPEMCTCKJ-UHFFFAOYSA-N 1 2 230.262 0.792 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000641713134 362625384 /nfs/dbraw/zinc/62/53/84/362625384.db2.gz MERSTEWUYRLHMC-CABZTGNLSA-N 1 2 217.272 0.925 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000641713117 362625565 /nfs/dbraw/zinc/62/55/65/362625565.db2.gz LZPHDDGOPFYIHT-ZWNOBZJWSA-N 1 2 246.314 0.870 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000641713117 362625572 /nfs/dbraw/zinc/62/55/72/362625572.db2.gz LZPHDDGOPFYIHT-ZWNOBZJWSA-N 1 2 246.314 0.870 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093333648 345652853 /nfs/dbraw/zinc/65/28/53/345652853.db2.gz WVDIXAYFBOEBMC-RKDXNWHRSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093333648 345652854 /nfs/dbraw/zinc/65/28/54/345652854.db2.gz WVDIXAYFBOEBMC-RKDXNWHRSA-N 1 2 201.266 0.252 20 0 BCADLO Cn1cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000418941640 192090226 /nfs/dbraw/zinc/09/02/26/192090226.db2.gz VJOUCOBVSIEXQJ-PHIMTYICSA-N 1 2 237.303 0.662 20 0 BCADLO Cn1cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000418941640 192090228 /nfs/dbraw/zinc/09/02/28/192090228.db2.gz VJOUCOBVSIEXQJ-PHIMTYICSA-N 1 2 237.303 0.662 20 0 BCADLO COCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641725214 362641482 /nfs/dbraw/zinc/64/14/82/362641482.db2.gz JOQWVLMGSPEWRS-UHFFFAOYSA-N 1 2 239.319 0.752 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCOC1(C)C ZINC000622636552 345699652 /nfs/dbraw/zinc/69/96/52/345699652.db2.gz CVUXVKOWROSJBJ-SNVBAGLBSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@@H](N(C)C(=O)Cc1c[nH+]cn1C)C(C)(C)O ZINC000622642143 345714215 /nfs/dbraw/zinc/71/42/15/345714215.db2.gz STLJUROHZVWCNM-SECBINFHSA-N 1 2 239.319 0.580 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cnc(C)cn2)c[nH+]1 ZINC000622679768 345798088 /nfs/dbraw/zinc/79/80/88/345798088.db2.gz HSUCQERSWSDSBB-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCCC[NH2+]1 ZINC000139607588 345799514 /nfs/dbraw/zinc/79/95/14/345799514.db2.gz LJHIHMLOYWCLQL-SNVBAGLBSA-N 1 2 236.319 0.601 20 0 BCADLO C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1[nH]cc[nH+]1 ZINC000140825591 345822808 /nfs/dbraw/zinc/82/28/08/345822808.db2.gz RRTTXZNHGOVJSP-MRVPVSSYSA-N 1 2 246.270 0.599 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC[C@H](C)O)[nH+]1 ZINC000635581120 345877042 /nfs/dbraw/zinc/87/70/42/345877042.db2.gz QIUZDEZLMFPHIU-QMMMGPOBSA-N 1 2 225.292 0.402 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)C[C@H](C)O)[nH+]1 ZINC000635641480 345913610 /nfs/dbraw/zinc/91/36/10/345913610.db2.gz DETKAQMLROUQEF-QMMMGPOBSA-N 1 2 225.292 0.354 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCCF)[nH+]1 ZINC000635709188 345995618 /nfs/dbraw/zinc/99/56/18/345995618.db2.gz ZZUZTGFHXZGCNF-UHFFFAOYSA-N 1 2 213.256 0.990 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635692556 345980627 /nfs/dbraw/zinc/98/06/27/345980627.db2.gz CBDISYZQAUJSOI-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635692556 345980629 /nfs/dbraw/zinc/98/06/29/345980629.db2.gz CBDISYZQAUJSOI-OPRDCNLKSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635698656 345984128 /nfs/dbraw/zinc/98/41/28/345984128.db2.gz NCNWSEHCENDSJR-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CC[C@@H](CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635698656 345984130 /nfs/dbraw/zinc/98/41/30/345984130.db2.gz NCNWSEHCENDSJR-IVZWLZJFSA-N 1 2 237.303 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC[C@@H](O)CC)[nH+]1 ZINC000635696998 345985460 /nfs/dbraw/zinc/98/54/60/345985460.db2.gz PFYWMDODQUXEKH-JTQLQIEISA-N 1 2 239.319 0.792 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000635708192 345994008 /nfs/dbraw/zinc/99/40/08/345994008.db2.gz BXLZOMKWXYCLFY-DTORHVGOSA-N 1 2 223.276 0.154 20 0 BCADLO CN(Cc1cscn1)C(=O)Cn1cc[nH+]c1 ZINC000673626540 488298147 /nfs/dbraw/zinc/29/81/47/488298147.db2.gz BFQYQOLWXCWQTO-UHFFFAOYSA-N 1 2 236.300 0.998 20 0 BCADLO COc1n[nH]c(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000635758463 346051712 /nfs/dbraw/zinc/05/17/12/346051712.db2.gz QZVVQEPHNAFHFN-ZETCQYMHSA-N 1 2 239.279 0.236 20 0 BCADLO COc1n[nH]c(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000635758463 346051716 /nfs/dbraw/zinc/05/17/16/346051716.db2.gz QZVVQEPHNAFHFN-ZETCQYMHSA-N 1 2 239.279 0.236 20 0 BCADLO CS(=O)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000076668280 537935676 /nfs/dbraw/zinc/93/56/76/537935676.db2.gz IRYBCUFPHONMTM-LLVKDONJSA-N 1 2 244.360 0.672 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635715699 346026135 /nfs/dbraw/zinc/02/61/35/346026135.db2.gz KXFRGFJGIXOOJV-HLTSFMKQSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635715699 346026137 /nfs/dbraw/zinc/02/61/37/346026137.db2.gz KXFRGFJGIXOOJV-HLTSFMKQSA-N 1 2 235.287 0.154 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@]2(C)CCOC2)[nH+]1 ZINC000635737840 346045263 /nfs/dbraw/zinc/04/52/63/346045263.db2.gz YHCVCUDIWFZXCU-LBPRGKRZSA-N 1 2 237.303 0.810 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635750694 346048611 /nfs/dbraw/zinc/04/86/11/346048611.db2.gz UHPGQNIDQOSCJO-RKDXNWHRSA-N 1 2 221.260 0.609 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635750694 346048613 /nfs/dbraw/zinc/04/86/13/346048613.db2.gz UHPGQNIDQOSCJO-RKDXNWHRSA-N 1 2 221.260 0.609 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000192024183 346079792 /nfs/dbraw/zinc/07/97/92/346079792.db2.gz XRQBQSQGYGQWKU-LLVKDONJSA-N 1 2 246.314 0.720 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ncccn1 ZINC000192024183 346079796 /nfs/dbraw/zinc/07/97/96/346079796.db2.gz XRQBQSQGYGQWKU-LLVKDONJSA-N 1 2 246.314 0.720 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000192024190 346080040 /nfs/dbraw/zinc/08/00/40/346080040.db2.gz XRQBQSQGYGQWKU-NSHDSACASA-N 1 2 246.314 0.720 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC000192024190 346080043 /nfs/dbraw/zinc/08/00/43/346080043.db2.gz XRQBQSQGYGQWKU-NSHDSACASA-N 1 2 246.314 0.720 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)C1CCC1 ZINC000635838266 346082524 /nfs/dbraw/zinc/08/25/24/346082524.db2.gz USYPJDWKZWDURP-GHMZBOCLSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)C1CCC1 ZINC000635838266 346082528 /nfs/dbraw/zinc/08/25/28/346082528.db2.gz USYPJDWKZWDURP-GHMZBOCLSA-N 1 2 249.314 0.887 20 0 BCADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000635875290 346095499 /nfs/dbraw/zinc/09/54/99/346095499.db2.gz WCFBHICYWPMAFL-KKZNHRDASA-N 1 2 249.314 0.743 20 0 BCADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000635875290 346095502 /nfs/dbraw/zinc/09/55/02/346095502.db2.gz WCFBHICYWPMAFL-KKZNHRDASA-N 1 2 249.314 0.743 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@@H](O)C1 ZINC000635917643 346108958 /nfs/dbraw/zinc/10/89/58/346108958.db2.gz HUCVICMZXCNIOE-ATZCPNFKSA-N 1 2 235.287 0.085 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)CF)[nH+]1 ZINC000635932464 346113008 /nfs/dbraw/zinc/11/30/08/346113008.db2.gz AQMSGMXSBTUQOU-SSDOTTSWSA-N 1 2 213.256 0.989 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000626159907 346125254 /nfs/dbraw/zinc/12/52/54/346125254.db2.gz WYVSHINVWKCUMB-LBPRGKRZSA-N 1 2 236.319 0.900 20 0 BCADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000626159907 346125256 /nfs/dbraw/zinc/12/52/56/346125256.db2.gz WYVSHINVWKCUMB-LBPRGKRZSA-N 1 2 236.319 0.900 20 0 BCADLO Cc1ncc(CN[C@@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC000628228954 346177662 /nfs/dbraw/zinc/17/76/62/346177662.db2.gz FOCJWQDQYXYGGB-JOYOIKCWSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncc(CN[C@@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000628228954 346177664 /nfs/dbraw/zinc/17/76/64/346177664.db2.gz FOCJWQDQYXYGGB-JOYOIKCWSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1[nH]c(CN2CCn3ncnc3C2)[nH+]c1C ZINC000628240177 346200019 /nfs/dbraw/zinc/20/00/19/346200019.db2.gz SVLBNNGMXXSXGX-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1c[nH]c(CN2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000628242251 346202735 /nfs/dbraw/zinc/20/27/35/346202735.db2.gz YEJHMBGINRNWLT-VIFPVBQESA-N 1 2 222.292 0.381 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@H](C)O1 ZINC000628244663 346209144 /nfs/dbraw/zinc/20/91/44/346209144.db2.gz RBLBFLBWUZWVHD-WDEREUQCSA-N 1 2 239.319 0.954 20 0 BCADLO CCN1CCCN(Cc2[nH]cc(C)[nH+]2)CC1=O ZINC000628246815 346214079 /nfs/dbraw/zinc/21/40/79/346214079.db2.gz DPQUOUQTGZRSGF-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO COC1(CO)CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628253606 346230446 /nfs/dbraw/zinc/23/04/46/346230446.db2.gz PNMKRIFXWDHWGU-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000628247435 346215783 /nfs/dbraw/zinc/21/57/83/346215783.db2.gz ANMCOUZVADMFTE-UMNHJUIQSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000628247435 346215785 /nfs/dbraw/zinc/21/57/85/346215785.db2.gz ANMCOUZVADMFTE-UMNHJUIQSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(CN2CCOC[C@]23CCOC3)[nH+]1 ZINC000628262160 346261094 /nfs/dbraw/zinc/26/10/94/346261094.db2.gz ZHODIGLWIWPUNR-GFCCVEGCSA-N 1 2 237.303 0.709 20 0 BCADLO Cc1[nH]c(CN2CCC[C@H]3C(=O)NC[C@H]32)[nH+]c1C ZINC000628259708 346258640 /nfs/dbraw/zinc/25/86/40/346258640.db2.gz FNWQFBSQQZWQST-GHMZBOCLSA-N 1 2 248.330 0.737 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC000628262945 346262211 /nfs/dbraw/zinc/26/22/11/346262211.db2.gz FIIRTQMVLQUCGZ-SECBINFHSA-N 1 2 243.332 0.337 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000628265003 346266416 /nfs/dbraw/zinc/26/64/16/346266416.db2.gz MEBQCUNOJPGJNE-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000628265003 346266420 /nfs/dbraw/zinc/26/64/20/346266420.db2.gz MEBQCUNOJPGJNE-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000673856015 488309966 /nfs/dbraw/zinc/30/99/66/488309966.db2.gz IGVLFOPBRZZSHX-MRVPVSSYSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000673856015 488309970 /nfs/dbraw/zinc/30/99/70/488309970.db2.gz IGVLFOPBRZZSHX-MRVPVSSYSA-N 1 2 243.307 0.980 20 0 BCADLO COC(=O)Cn1cc(C[NH2+]CC(C)(C)F)nn1 ZINC000601137129 346280154 /nfs/dbraw/zinc/28/01/54/346280154.db2.gz UDYPZLKYZHYGFE-UHFFFAOYSA-N 1 2 244.270 0.289 20 0 BCADLO Nc1cnccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000641758290 362688815 /nfs/dbraw/zinc/68/88/15/362688815.db2.gz KBGCNYPABMBHPO-UHFFFAOYSA-N 1 2 244.302 0.949 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@@H](O)C1 ZINC000636070374 346311105 /nfs/dbraw/zinc/31/11/05/346311105.db2.gz AMJFGDDBPYJZPU-ATZCPNFKSA-N 1 2 235.287 0.085 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC000636109912 346322119 /nfs/dbraw/zinc/32/21/19/346322119.db2.gz JFXSOZPOINXQNI-SCZZXKLOSA-N 1 2 237.303 0.808 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636110664 346322898 /nfs/dbraw/zinc/32/28/98/346322898.db2.gz MWKVKRSSFWMFNK-ZYUZMQFOSA-N 1 2 235.287 0.807 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636110664 346322900 /nfs/dbraw/zinc/32/29/00/346322900.db2.gz MWKVKRSSFWMFNK-ZYUZMQFOSA-N 1 2 235.287 0.807 20 0 BCADLO Cc1nc[nH]c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000636169180 346345206 /nfs/dbraw/zinc/34/52/06/346345206.db2.gz OOGLLAAZADVQQA-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO Cc1nc[nH]c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000636169180 346345210 /nfs/dbraw/zinc/34/52/10/346345210.db2.gz OOGLLAAZADVQQA-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC000156087053 346360502 /nfs/dbraw/zinc/36/05/02/346360502.db2.gz WLMRSIVRFQLHAM-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC000156087053 346360506 /nfs/dbraw/zinc/36/05/06/346360506.db2.gz WLMRSIVRFQLHAM-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000636230477 346362579 /nfs/dbraw/zinc/36/25/79/346362579.db2.gz BXLZOMKWXYCLFY-KYZUINATSA-N 1 2 223.276 0.154 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636229340 346363002 /nfs/dbraw/zinc/36/30/02/346363002.db2.gz NUACCKIYIPXVFD-HVSQXUEJSA-N 1 2 235.287 0.807 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636229340 346363005 /nfs/dbraw/zinc/36/30/05/346363005.db2.gz NUACCKIYIPXVFD-HVSQXUEJSA-N 1 2 235.287 0.807 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2cc(OC)n[nH]2)[nH+]1 ZINC000636257005 346371598 /nfs/dbraw/zinc/37/15/98/346371598.db2.gz 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Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593099561 347857237 /nfs/dbraw/zinc/85/72/37/347857237.db2.gz JEWULFOCVUOHKW-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593099561 347857238 /nfs/dbraw/zinc/85/72/38/347857238.db2.gz JEWULFOCVUOHKW-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO Cc1nnsc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101753 347857947 /nfs/dbraw/zinc/85/79/47/347857947.db2.gz YZJPKHWPDGXSOS-VQLIFVOLSA-N 1 2 243.357 0.552 20 0 BCADLO Cc1nnsc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101753 347857948 /nfs/dbraw/zinc/85/79/48/347857948.db2.gz YZJPKHWPDGXSOS-VQLIFVOLSA-N 1 2 243.357 0.552 20 0 BCADLO Cc1nnsc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101754 347857972 /nfs/dbraw/zinc/85/79/72/347857972.db2.gz YZJPKHWPDGXSOS-VJGMYXETSA-N 1 2 243.357 0.552 20 0 BCADLO Cc1nnsc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101754 347857974 /nfs/dbraw/zinc/85/79/74/347857974.db2.gz YZJPKHWPDGXSOS-VJGMYXETSA-N 1 2 243.357 0.552 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)on1 ZINC000593102271 347858415 /nfs/dbraw/zinc/85/84/15/347858415.db2.gz RNIBJEQFTLPZRQ-KPCOEVGBSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)on1 ZINC000593102271 347858416 /nfs/dbraw/zinc/85/84/16/347858416.db2.gz RNIBJEQFTLPZRQ-KPCOEVGBSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593102357 347858556 /nfs/dbraw/zinc/85/85/56/347858556.db2.gz WISOVKSLCVBONL-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593102357 347858557 /nfs/dbraw/zinc/85/85/57/347858557.db2.gz WISOVKSLCVBONL-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO CSCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592946692 347833468 /nfs/dbraw/zinc/83/34/68/347833468.db2.gz XKVGVTRTHIWUMY-VIFPVBQESA-N 1 2 239.344 0.925 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593103493 347858767 /nfs/dbraw/zinc/85/87/67/347858767.db2.gz ZIZRSLVLAAXHML-XQJJYNOISA-N 1 2 240.328 0.997 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593103493 347858769 /nfs/dbraw/zinc/85/87/69/347858769.db2.gz ZIZRSLVLAAXHML-XQJJYNOISA-N 1 2 240.328 0.997 20 0 BCADLO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)C(=O)OC ZINC000593183331 347869063 /nfs/dbraw/zinc/86/90/63/347869063.db2.gz UHYMVCHZYOVCHT-JQWIXIFHSA-N 1 2 245.319 0.459 20 0 BCADLO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)C(=O)OC ZINC000593183333 347869130 /nfs/dbraw/zinc/86/91/30/347869130.db2.gz UHYMVCHZYOVCHT-ZYHUDNBSSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115339 347862008 /nfs/dbraw/zinc/86/20/08/347862008.db2.gz ILTDLLSGYWQWEG-MRVPVSSYSA-N 1 2 205.204 0.891 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115339 347862011 /nfs/dbraw/zinc/86/20/11/347862011.db2.gz ILTDLLSGYWQWEG-MRVPVSSYSA-N 1 2 205.204 0.891 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593694277 347929180 /nfs/dbraw/zinc/92/91/80/347929180.db2.gz XMWCLFVSBJBEDC-QEKSWQHZSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593694277 347929182 /nfs/dbraw/zinc/92/91/82/347929182.db2.gz XMWCLFVSBJBEDC-QEKSWQHZSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593694277 347929185 /nfs/dbraw/zinc/92/91/85/347929185.db2.gz XMWCLFVSBJBEDC-QEKSWQHZSA-N 1 2 239.344 0.608 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594314712 348029409 /nfs/dbraw/zinc/02/94/09/348029409.db2.gz NGWNOOVVUNWXET-HTQZYQBOSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594314712 348029412 /nfs/dbraw/zinc/02/94/12/348029412.db2.gz NGWNOOVVUNWXET-HTQZYQBOSA-N 1 2 239.275 0.266 20 0 BCADLO Cc1cccn2cc(CNC(=O)CC(N)=O)[nH+]c12 ZINC000266120369 179356846 /nfs/dbraw/zinc/35/68/46/179356846.db2.gz MGVSKKSSLNTTJL-UHFFFAOYSA-N 1 2 246.270 0.134 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000171401872 535069175 /nfs/dbraw/zinc/06/91/75/535069175.db2.gz JTMLZPRUZAZBCL-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000171401872 535069184 /nfs/dbraw/zinc/06/91/84/535069184.db2.gz JTMLZPRUZAZBCL-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000594648708 348087753 /nfs/dbraw/zinc/08/77/53/348087753.db2.gz BLQKPCSWSWIZHG-SECBINFHSA-N 1 2 226.280 0.121 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2cscn2)CC1=O ZINC000391537225 323176227 /nfs/dbraw/zinc/17/62/27/323176227.db2.gz LPPWXLJPGVHKIC-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO Cc1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000081573768 179360527 /nfs/dbraw/zinc/36/05/27/179360527.db2.gz FITNRKGELMVWOG-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC(F)(F)CO ZINC000594947120 348145971 /nfs/dbraw/zinc/14/59/71/348145971.db2.gz SQSIVFIQQCXINC-BIIVOSGPSA-N 1 2 237.246 0.401 20 0 BCADLO CCOCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000531254906 490136309 /nfs/dbraw/zinc/13/63/09/490136309.db2.gz MATDVDIMFYXOTQ-UHFFFAOYSA-N 1 2 224.308 0.693 20 0 BCADLO CCOCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531254906 490136315 /nfs/dbraw/zinc/13/63/15/490136315.db2.gz MATDVDIMFYXOTQ-UHFFFAOYSA-N 1 2 224.308 0.693 20 0 BCADLO COC(=O)CC[C@@H](C(=O)OC)[NH+]1CCCC1 ZINC000595290424 348213620 /nfs/dbraw/zinc/21/36/20/348213620.db2.gz BNKNZQRHFURRBT-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1cn[nH]n1 ZINC000595294023 348215432 /nfs/dbraw/zinc/21/54/32/348215432.db2.gz HZZPGBJBHWBEEY-UHFFFAOYSA-N 1 2 226.280 0.232 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1cn[nH]n1 ZINC000595294023 348215434 /nfs/dbraw/zinc/21/54/34/348215434.db2.gz HZZPGBJBHWBEEY-UHFFFAOYSA-N 1 2 226.280 0.232 20 0 BCADLO CCOC(=O)C[N@H+](C)CCO[C@H]1CC1(F)F ZINC000595298680 348216854 /nfs/dbraw/zinc/21/68/54/348216854.db2.gz RFWSLUVJGQKKPJ-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000595298680 348216856 /nfs/dbraw/zinc/21/68/56/348216856.db2.gz RFWSLUVJGQKKPJ-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](COC)OC ZINC000595312489 348223647 /nfs/dbraw/zinc/22/36/47/348223647.db2.gz YHSPXSMNHPKYPP-VIFPVBQESA-N 1 2 233.308 0.579 20 0 BCADLO COC[C@@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000595312519 348223744 /nfs/dbraw/zinc/22/37/44/348223744.db2.gz ZJNXLRRRHQOKNJ-MRVPVSSYSA-N 1 2 219.281 0.189 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595319937 348225708 /nfs/dbraw/zinc/22/57/08/348225708.db2.gz UKASDTMVBUXHOT-JQWIXIFHSA-N 1 2 247.335 0.969 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000595406464 348240008 /nfs/dbraw/zinc/24/00/08/348240008.db2.gz JMPKCPPALLVXNW-ONGXEEELSA-N 1 2 233.308 0.579 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000595388814 348242939 /nfs/dbraw/zinc/24/29/39/348242939.db2.gz XILDPVXEBFKRFX-JTQLQIEISA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000595388814 348242940 /nfs/dbraw/zinc/24/29/40/348242940.db2.gz XILDPVXEBFKRFX-JTQLQIEISA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC=CCC1 ZINC000595428192 348247761 /nfs/dbraw/zinc/24/77/61/348247761.db2.gz NKKGNQLVFHLJQM-SNVBAGLBSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC=CCC1 ZINC000595428192 348247762 /nfs/dbraw/zinc/24/77/62/348247762.db2.gz NKKGNQLVFHLJQM-SNVBAGLBSA-N 1 2 241.287 0.743 20 0 BCADLO CCC(CC)([NH2+]CCc1cn[nH]n1)C(=O)OC ZINC000595437786 348250468 /nfs/dbraw/zinc/25/04/68/348250468.db2.gz SEQZUCOSTDHJHL-UHFFFAOYSA-N 1 2 240.307 0.669 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CC[S@@](=O)C1 ZINC000595459168 348256079 /nfs/dbraw/zinc/25/60/79/348256079.db2.gz ONJUZQICVSYECO-QLJPJBMISA-N 1 2 241.360 0.621 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368590 179378314 /nfs/dbraw/zinc/37/83/14/179378314.db2.gz KGBZCSISHCBXHL-TXEJJXNPSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368590 179378318 /nfs/dbraw/zinc/37/83/18/179378318.db2.gz KGBZCSISHCBXHL-TXEJJXNPSA-N 1 2 234.299 0.990 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCc1ccccc1 ZINC000595527581 348272037 /nfs/dbraw/zinc/27/20/37/348272037.db2.gz OOLMXBPYZOUCDE-CYBMUJFWSA-N 1 2 237.299 0.743 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)C ZINC000595528118 348272168 /nfs/dbraw/zinc/27/21/68/348272168.db2.gz QHFYVLYHZCAQLL-SNVBAGLBSA-N 1 2 203.282 0.546 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H]1CCCCO1 ZINC000595530808 348273215 /nfs/dbraw/zinc/27/32/15/348273215.db2.gz ABWRNTSLMFIXSD-CMPLNLGQSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](O)CCC(C)C ZINC000595531978 348273685 /nfs/dbraw/zinc/27/36/85/348273685.db2.gz NOOXXRVNIXOIMT-JQWIXIFHSA-N 1 2 247.335 0.297 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCCCF ZINC000595532869 348274852 /nfs/dbraw/zinc/27/48/52/348274852.db2.gz VHDCJZIDNYEXBA-JTQLQIEISA-N 1 2 221.272 0.640 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC1(OC)CCC1 ZINC000595532570 348274859 /nfs/dbraw/zinc/27/48/59/348274859.db2.gz TYZSXJAGEHTKFZ-NSHDSACASA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC000595658584 348298736 /nfs/dbraw/zinc/29/87/36/348298736.db2.gz FRTVXWBOBSRUNB-VHSXEESVSA-N 1 2 240.259 0.403 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccon1 ZINC000595660389 348299626 /nfs/dbraw/zinc/29/96/26/348299626.db2.gz WSNMDPVLARQKAB-DTWKUNHWSA-N 1 2 226.232 0.095 20 0 BCADLO CCC[C@H](O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419326408 192121679 /nfs/dbraw/zinc/12/16/79/192121679.db2.gz CCCHSKKBONMTTE-AGIUHOORSA-N 1 2 244.379 0.534 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000312936953 187392837 /nfs/dbraw/zinc/39/28/37/187392837.db2.gz ZRMMCGOSDHRUMZ-VIFPVBQESA-N 1 2 247.360 0.738 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000312936953 187392838 /nfs/dbraw/zinc/39/28/38/187392838.db2.gz ZRMMCGOSDHRUMZ-VIFPVBQESA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1CCOC1 ZINC000595769957 348335953 /nfs/dbraw/zinc/33/59/53/348335953.db2.gz PLECENZIKWLLLN-MWLCHTKSSA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)CCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595771173 348336775 /nfs/dbraw/zinc/33/67/75/348336775.db2.gz XHEYMMAEWZXGOU-LLVKDONJSA-N 1 2 249.282 0.821 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595772723 348337175 /nfs/dbraw/zinc/33/71/75/348337175.db2.gz NIAUHCRNAQROHZ-GZMMTYOYSA-N 1 2 246.282 0.146 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](C)O ZINC000595774026 348338114 /nfs/dbraw/zinc/33/81/14/348338114.db2.gz ROKOFOBZGBGSBF-VXNVDRBHSA-N 1 2 207.245 0.248 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595777776 348339219 /nfs/dbraw/zinc/33/92/19/348339219.db2.gz JRCOPZXIKVQAES-LPEHRKFASA-N 1 2 227.304 0.831 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595781580 348345124 /nfs/dbraw/zinc/34/51/24/348345124.db2.gz MQDKAUZHTDJVAV-DTWKUNHWSA-N 1 2 213.277 0.443 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595781578 348345304 /nfs/dbraw/zinc/34/53/04/348345304.db2.gz MQDKAUZHTDJVAV-BDAKNGLRSA-N 1 2 213.277 0.443 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1cn[nH]c1 ZINC000595871090 348385539 /nfs/dbraw/zinc/38/55/39/348385539.db2.gz ONIULWRUUYHOSU-UHFFFAOYSA-N 1 2 235.287 0.937 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1cn[nH]c1 ZINC000595871090 348385541 /nfs/dbraw/zinc/38/55/41/348385541.db2.gz ONIULWRUUYHOSU-UHFFFAOYSA-N 1 2 235.287 0.937 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000309098973 349985767 /nfs/dbraw/zinc/98/57/67/349985767.db2.gz DXPWKKWDBQCOMM-IONNQARKSA-N 1 2 208.265 0.024 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOCCF)C1CC1 ZINC000596047794 348429443 /nfs/dbraw/zinc/42/94/43/348429443.db2.gz AMUNKEQGYDRBAD-VIFPVBQESA-N 1 2 219.256 0.514 20 0 BCADLO CC[C@H]([NH2+]CCOCCF)C(=O)OC ZINC000596052207 348433564 /nfs/dbraw/zinc/43/35/64/348433564.db2.gz UQRPFPMEVDSTTI-QMMMGPOBSA-N 1 2 207.245 0.514 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CNC(=O)C2)c1 ZINC000596184245 348456075 /nfs/dbraw/zinc/45/60/75/348456075.db2.gz SOMDDPFSLQDIER-VIFPVBQESA-N 1 2 249.270 0.098 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000597115991 348663066 /nfs/dbraw/zinc/66/30/66/348663066.db2.gz BJFWPAPCYCLFJN-FNCVBFRFSA-N 1 2 229.276 0.335 20 0 BCADLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)nc1 ZINC000085791162 179636426 /nfs/dbraw/zinc/63/64/26/179636426.db2.gz SICSZGJJRJDTNN-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000085791162 179636427 /nfs/dbraw/zinc/63/64/27/179636427.db2.gz SICSZGJJRJDTNN-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000308823350 348761523 /nfs/dbraw/zinc/76/15/23/348761523.db2.gz KGVQMKQQPVXIOM-MRVPVSSYSA-N 1 2 211.265 0.159 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000308823352 348761577 /nfs/dbraw/zinc/76/15/77/348761577.db2.gz KGVQMKQQPVXIOM-QMMMGPOBSA-N 1 2 211.265 0.159 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](O)C1 ZINC000181263102 179706614 /nfs/dbraw/zinc/70/66/14/179706614.db2.gz LJOMHWNOKASSIQ-VIFPVBQESA-N 1 2 221.260 0.989 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@]12C[C@H]1CCC2 ZINC000421738825 192377338 /nfs/dbraw/zinc/37/73/38/192377338.db2.gz WRBORBBHYFNFRI-DGCLKSJQSA-N 1 2 238.331 0.625 20 0 BCADLO CCN(CCCO)C(=O)Cn1cc[nH+]c1 ZINC000308869545 348980321 /nfs/dbraw/zinc/98/03/21/348980321.db2.gz RVCHIUQTZCKJLA-UHFFFAOYSA-N 1 2 211.265 0.114 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC2 ZINC000421762966 192380523 /nfs/dbraw/zinc/38/05/23/192380523.db2.gz OXUNELSRXVZLNI-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC2 ZINC000421762966 192380524 /nfs/dbraw/zinc/38/05/24/192380524.db2.gz OXUNELSRXVZLNI-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO CC[S@@](=O)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000598712140 349025186 /nfs/dbraw/zinc/02/51/86/349025186.db2.gz QDFBXOLSFJMYIF-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CC[S@@](=O)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000598712140 349025189 /nfs/dbraw/zinc/02/51/89/349025189.db2.gz QDFBXOLSFJMYIF-MRXNPFEDSA-N 1 2 246.376 0.308 20 0 BCADLO CSC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000598948886 349070963 /nfs/dbraw/zinc/07/09/63/349070963.db2.gz VVFWYJMLIUBYCW-MRVPVSSYSA-N 1 2 237.328 0.820 20 0 BCADLO CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000056357427 349109015 /nfs/dbraw/zinc/10/90/15/349109015.db2.gz IEGHHXJQHZJDIM-UHFFFAOYSA-N 1 2 210.281 0.935 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000308930247 349126012 /nfs/dbraw/zinc/12/60/12/349126012.db2.gz JIRFYSGADYRICS-JGVFFNPUSA-N 1 2 215.249 0.091 20 0 BCADLO COC(=O)C[N@H+](C)CCOC1CCOCC1 ZINC000599259874 349133782 /nfs/dbraw/zinc/13/37/82/349133782.db2.gz QNAMMJLZBYRIFP-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)C[N@@H+](C)CCOC1CCOCC1 ZINC000599259874 349133786 /nfs/dbraw/zinc/13/37/86/349133786.db2.gz QNAMMJLZBYRIFP-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1C[C@@H]1C ZINC000599438394 349176536 /nfs/dbraw/zinc/17/65/36/349176536.db2.gz VSXPBRVGHPSOBE-XKSSXDPKSA-N 1 2 201.266 0.156 20 0 BCADLO Cc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)no1 ZINC000599323513 349156155 /nfs/dbraw/zinc/15/61/55/349156155.db2.gz CWPAYSGBKFCOGE-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC[C@H]1CCCO1 ZINC000599575424 349225563 /nfs/dbraw/zinc/22/55/63/349225563.db2.gz KJZDPIMOLQWVOI-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000599575424 349225566 /nfs/dbraw/zinc/22/55/66/349225566.db2.gz KJZDPIMOLQWVOI-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000178220606 535092283 /nfs/dbraw/zinc/09/22/83/535092283.db2.gz FJJOYCIDCSHVLM-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000178220606 535092287 /nfs/dbraw/zinc/09/22/87/535092287.db2.gz FJJOYCIDCSHVLM-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631927 349236798 /nfs/dbraw/zinc/23/67/98/349236798.db2.gz HYVPFHYXSHWKSA-SJBBUJNXSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631927 349236800 /nfs/dbraw/zinc/23/68/00/349236800.db2.gz HYVPFHYXSHWKSA-SJBBUJNXSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631884 349237223 /nfs/dbraw/zinc/23/72/23/349237223.db2.gz CRRAUADPAHEQHO-CEFVDNRUSA-N 1 2 231.317 0.145 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631884 349237226 /nfs/dbraw/zinc/23/72/26/349237226.db2.gz CRRAUADPAHEQHO-CEFVDNRUSA-N 1 2 231.317 0.145 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105891 349292410 /nfs/dbraw/zinc/29/24/10/349292410.db2.gz AXPLNPVQIWOTJO-VIFPVBQESA-N 1 2 223.276 0.713 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105891 349292413 /nfs/dbraw/zinc/29/24/13/349292413.db2.gz AXPLNPVQIWOTJO-VIFPVBQESA-N 1 2 223.276 0.713 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599693952 349246530 /nfs/dbraw/zinc/24/65/30/349246530.db2.gz PYYPPGDXWYIDKL-ZYHUDNBSSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599693952 349246532 /nfs/dbraw/zinc/24/65/32/349246532.db2.gz PYYPPGDXWYIDKL-ZYHUDNBSSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599703464 349249501 /nfs/dbraw/zinc/24/95/01/349249501.db2.gz BICZZNRKBLLVOH-ILWJIGKKSA-N 1 2 243.303 0.821 20 0 BCADLO COC(=O)C[N@@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599703464 349249502 /nfs/dbraw/zinc/24/95/02/349249502.db2.gz BICZZNRKBLLVOH-ILWJIGKKSA-N 1 2 243.303 0.821 20 0 BCADLO Cc1[nH]c(CN2CCO[C@H]([C@H](C)O)C2)[nH+]c1C ZINC000628313668 349260321 /nfs/dbraw/zinc/26/03/21/349260321.db2.gz XIYAARFBRSAENX-QWRGUYRKSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000628313716 349261169 /nfs/dbraw/zinc/26/11/69/349261169.db2.gz YBVWBAHHMMALOR-JOYOIKCWSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000628313716 349261172 /nfs/dbraw/zinc/26/11/72/349261172.db2.gz YBVWBAHHMMALOR-JOYOIKCWSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)C(C)(C)C)c[nH+]1 ZINC000278407026 179889755 /nfs/dbraw/zinc/88/97/55/179889755.db2.gz LLIZFDMRAKNSQL-SECBINFHSA-N 1 2 225.292 0.855 20 0 BCADLO COC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602053421 349427080 /nfs/dbraw/zinc/42/70/80/349427080.db2.gz TVKKHNYHFUHNDX-HTQZYQBOSA-N 1 2 237.259 0.145 20 0 BCADLO COC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602053421 349427083 /nfs/dbraw/zinc/42/70/83/349427083.db2.gz TVKKHNYHFUHNDX-HTQZYQBOSA-N 1 2 237.259 0.145 20 0 BCADLO CCOC(=O)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602076585 349428371 /nfs/dbraw/zinc/42/83/71/349428371.db2.gz YOWCKHKZJIACOQ-UHFFFAOYSA-N 1 2 239.275 0.194 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000342411254 538045963 /nfs/dbraw/zinc/04/59/63/538045963.db2.gz HXRYWRBEVBUICN-GRYCIOLGSA-N 1 2 240.347 0.822 20 0 BCADLO COCCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603786605 350026214 /nfs/dbraw/zinc/02/62/14/350026214.db2.gz ZXULEXFRMQNFAM-UHFFFAOYSA-N 1 2 249.270 0.936 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000342411254 538045975 /nfs/dbraw/zinc/04/59/75/538045975.db2.gz HXRYWRBEVBUICN-GRYCIOLGSA-N 1 2 240.347 0.822 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000603911664 350050357 /nfs/dbraw/zinc/05/03/57/350050357.db2.gz ZTSYOEGKQASWNP-SECBINFHSA-N 1 2 249.314 0.919 20 0 BCADLO CCCOCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603915329 350055958 /nfs/dbraw/zinc/05/59/58/350055958.db2.gz MWACOBICIZVRCQ-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO O=C(c1ccc[nH]c1=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916741 350056014 /nfs/dbraw/zinc/05/60/14/350056014.db2.gz XRJBZCUXDFGBJD-UHFFFAOYSA-N 1 2 244.254 0.681 20 0 BCADLO CS[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291541098 350065844 /nfs/dbraw/zinc/06/58/44/350065844.db2.gz XMIWORCYVSWRAP-ZETCQYMHSA-N 1 2 213.306 0.788 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(CC(N)=O)C2)[nH+]1 ZINC000360053553 180000902 /nfs/dbraw/zinc/00/09/02/180000902.db2.gz LGHPLPFBDUSQSX-UHFFFAOYSA-N 1 2 245.286 0.578 20 0 BCADLO Cc1nc(NC(=O)c2c[nH+]ccc2N(C)C)n[nH]1 ZINC000183535430 180014367 /nfs/dbraw/zinc/01/43/67/180014367.db2.gz PJZUNFVWBZLROL-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1nnc(NC(=O)c2c[nH+]ccc2N(C)C)[nH]1 ZINC000183535430 180014371 /nfs/dbraw/zinc/01/43/71/180014371.db2.gz PJZUNFVWBZLROL-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1nc(NCCn2cc[nH+]c2)cc2nncn21 ZINC000298375803 180018733 /nfs/dbraw/zinc/01/87/33/180018733.db2.gz UTYCRKVNPUMSNH-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000131630058 191015987 /nfs/dbraw/zinc/01/59/87/191015987.db2.gz MPKFVAJIDWSIPW-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000131630058 191015989 /nfs/dbraw/zinc/01/59/89/191015989.db2.gz MPKFVAJIDWSIPW-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445486 180040720 /nfs/dbraw/zinc/04/07/20/180040720.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445486 180040723 /nfs/dbraw/zinc/04/07/23/180040723.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC000268445486 180040726 /nfs/dbraw/zinc/04/07/26/180040726.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC000268445486 180040727 /nfs/dbraw/zinc/04/07/27/180040727.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)n[nH]1 ZINC000268445486 180040730 /nfs/dbraw/zinc/04/07/30/180040730.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)n[nH]1 ZINC000268445486 180040731 /nfs/dbraw/zinc/04/07/31/180040731.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 1 2 237.307 0.166 20 0 BCADLO COCCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426142533 191019934 /nfs/dbraw/zinc/01/99/34/191019934.db2.gz IFGQPMMWWVSKLO-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO COCCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426142533 191019937 /nfs/dbraw/zinc/01/99/37/191019937.db2.gz IFGQPMMWWVSKLO-UHFFFAOYSA-N 1 2 228.336 0.823 20 0 BCADLO Cc1nc([C@@](C)([NH2+]C[C@@H](C)O)C2CC2)no1 ZINC000309845637 180047729 /nfs/dbraw/zinc/04/77/29/180047729.db2.gz SWMRUWWMJXJJSE-HQJQHLMTSA-N 1 2 225.292 0.974 20 0 BCADLO Cc1nnc([C@H]2C[N@@H+]([C@H]3CCOC3)CCO2)[nH]1 ZINC000328616876 180058176 /nfs/dbraw/zinc/05/81/76/180058176.db2.gz SWBDAYDDLVCOAH-VHSXEESVSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1nnc([C@H]2C[N@H+]([C@H]3CCOC3)CCO2)[nH]1 ZINC000328616876 180058178 /nfs/dbraw/zinc/05/81/78/180058178.db2.gz SWBDAYDDLVCOAH-VHSXEESVSA-N 1 2 238.291 0.275 20 0 BCADLO C[C@@H](C(=O)NCC(C)(C)O)[NH+]1CCSCC1 ZINC000132521262 191032620 /nfs/dbraw/zinc/03/26/20/191032620.db2.gz RIWFIIIWTXLQIM-VIFPVBQESA-N 1 2 246.376 0.311 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)N(C)CCO)cc2n1C ZINC000336626228 180089027 /nfs/dbraw/zinc/08/90/27/180089027.db2.gz NCMBEGFWSKUKPV-UHFFFAOYSA-N 1 2 247.298 0.946 20 0 BCADLO Cc1nc(N[C@@H]2CNC(=O)C2)c2c([nH+]1)CCCC2 ZINC000333020703 180070574 /nfs/dbraw/zinc/07/05/74/180070574.db2.gz DTFZLDKPKNNFAU-VIFPVBQESA-N 1 2 246.314 0.964 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000132386736 191032196 /nfs/dbraw/zinc/03/21/96/191032196.db2.gz VZEPMLZIVAQTTJ-RKDXNWHRSA-N 1 2 203.282 0.545 20 0 BCADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCCO1 ZINC000133239905 191039699 /nfs/dbraw/zinc/03/96/99/191039699.db2.gz VOQJLZWOBWJZGO-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](C[C@@H](O)C(C)(C)C)C2 ZINC000336704034 180113276 /nfs/dbraw/zinc/11/32/76/180113276.db2.gz LTHSBVJBSLGWMB-SNVBAGLBSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC000336704034 180113277 /nfs/dbraw/zinc/11/32/77/180113277.db2.gz LTHSBVJBSLGWMB-SNVBAGLBSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)C2CC2)c[nH+]1 ZINC000331586566 180128999 /nfs/dbraw/zinc/12/89/99/180128999.db2.gz AWUDLNQRMIPMKX-UHFFFAOYSA-N 1 2 207.233 0.427 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H](C)[S@](C)=O)c[nH+]1 ZINC000333978440 180129522 /nfs/dbraw/zinc/12/95/22/180129522.db2.gz CBNWJDODNBMEOX-QZTNRIJFSA-N 1 2 243.332 0.605 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@](C)(O)C2CC2)c[nH+]1 ZINC000331664939 180131935 /nfs/dbraw/zinc/13/19/35/180131935.db2.gz MVKPSNKBRGGGOJ-NSHDSACASA-N 1 2 223.276 0.609 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@H](C(N)=O)C2)s1 ZINC000299463260 180142519 /nfs/dbraw/zinc/14/25/19/180142519.db2.gz GHWUAIZLUGNOHY-VIFPVBQESA-N 1 2 241.316 0.138 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@H](C(N)=O)C2)s1 ZINC000299463260 180142520 /nfs/dbraw/zinc/14/25/20/180142520.db2.gz GHWUAIZLUGNOHY-VIFPVBQESA-N 1 2 241.316 0.138 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](O)C1 ZINC000346200445 180119134 /nfs/dbraw/zinc/11/91/34/180119134.db2.gz RIIPWUDYBVWOQE-VIFPVBQESA-N 1 2 223.276 0.244 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349011471 538065994 /nfs/dbraw/zinc/06/59/94/538065994.db2.gz IOKNCKSXHXSTIL-HMDXOVGESA-N 1 2 248.286 0.807 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CO[C@H](C)C1 ZINC000336452866 180119754 /nfs/dbraw/zinc/11/97/54/180119754.db2.gz ZTWOICLQDGVKLH-VXNVDRBHSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCO1 ZINC000336570478 180120312 /nfs/dbraw/zinc/12/03/12/180120312.db2.gz IBHGIOPRHADNMS-SNVBAGLBSA-N 1 2 223.276 0.903 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccn(C)c1=O ZINC000359516089 180120562 /nfs/dbraw/zinc/12/05/62/180120562.db2.gz KPYIBYXCBPCWEW-UHFFFAOYSA-N 1 2 246.270 0.347 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nncn1C1CC1 ZINC000356187166 180120726 /nfs/dbraw/zinc/12/07/26/180120726.db2.gz SIPXCPZYDNZEOD-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](C)CC2)s1 ZINC000082303361 180127402 /nfs/dbraw/zinc/12/74/02/180127402.db2.gz XDFMTYJPABZGAE-UHFFFAOYSA-N 1 2 225.317 0.839 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)N1CC[NH+](C)CC1 ZINC000221211077 350200440 /nfs/dbraw/zinc/20/04/40/350200440.db2.gz CWKNLJFOTGBGCB-UHFFFAOYSA-N 1 2 235.287 0.523 20 0 BCADLO CC[C@](C)(O)CNC(=O)NCCn1cc[nH+]c1 ZINC000105064663 191067132 /nfs/dbraw/zinc/06/71/32/191067132.db2.gz BAYMHKZWUYBGEV-NSHDSACASA-N 1 2 240.307 0.343 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637143677 350217179 /nfs/dbraw/zinc/21/71/79/350217179.db2.gz IUCUPANKFTYSIG-YWVKMMECSA-N 1 2 234.303 0.906 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000357666298 180193783 /nfs/dbraw/zinc/19/37/83/180193783.db2.gz YWZQOOKPVYFTHU-WCBMZHEXSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1nc(N2CC[C@@H](N3CCCC3=O)C2)cc[nH+]1 ZINC000276775906 180194035 /nfs/dbraw/zinc/19/40/35/180194035.db2.gz NURQCZKVCVVYPW-LLVKDONJSA-N 1 2 246.314 0.986 20 0 BCADLO Cc1nc(N2CC[C@@](C)(C(N)=O)C2)cc[nH+]1 ZINC000280233895 180195451 /nfs/dbraw/zinc/19/54/51/180195451.db2.gz LWYXCBOUOLJNLW-LLVKDONJSA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N2C[C@H](O)C(C)(C)C2)cc[nH+]1 ZINC000279329826 180195593 /nfs/dbraw/zinc/19/55/93/180195593.db2.gz DBPKGPJTHFOBOD-VIFPVBQESA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(NCC2(S(C)(=O)=O)CC2)cc[nH+]1 ZINC000309709908 180199528 /nfs/dbraw/zinc/19/95/28/180199528.db2.gz QEJBQZPDEQKLIX-UHFFFAOYSA-N 1 2 241.316 0.774 20 0 BCADLO Cc1nc(NC[C@@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000054936024 180200909 /nfs/dbraw/zinc/20/09/09/180200909.db2.gz OECBPANVMKYPQK-VIFPVBQESA-N 1 2 241.316 0.632 20 0 BCADLO Cc1nc(N[C@@H](CO)C2CCOCC2)cc[nH+]1 ZINC000360180867 180202750 /nfs/dbraw/zinc/20/27/50/180202750.db2.gz DWYQYONNGHWETA-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO Cc1nccc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000332195788 180184240 /nfs/dbraw/zinc/18/42/40/180184240.db2.gz APEGKCPGMSGOJP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nccc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000332195788 180184245 /nfs/dbraw/zinc/18/42/45/180184245.db2.gz APEGKCPGMSGOJP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)n1 ZINC000353132876 180185559 /nfs/dbraw/zinc/18/55/59/180185559.db2.gz DDMCMIWRIREWJM-SKDRFNHKSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)n1 ZINC000353132876 180185561 /nfs/dbraw/zinc/18/55/61/180185561.db2.gz DDMCMIWRIREWJM-SKDRFNHKSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)n1 ZINC000366490268 180186012 /nfs/dbraw/zinc/18/60/12/180186012.db2.gz QQBAUWLXTLJTET-PWSUYJOCSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)n1 ZINC000366490268 180186014 /nfs/dbraw/zinc/18/60/14/180186014.db2.gz QQBAUWLXTLJTET-PWSUYJOCSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@@](F)(CO)C2)n1 ZINC000338586751 180186370 /nfs/dbraw/zinc/18/63/70/180186370.db2.gz GAHDPRYATXXUGY-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@@](F)(CO)C2)n1 ZINC000338586751 180186371 /nfs/dbraw/zinc/18/63/71/180186371.db2.gz GAHDPRYATXXUGY-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)n1 ZINC000352973828 180186654 /nfs/dbraw/zinc/18/66/54/180186654.db2.gz CDUORVZFVNHSBF-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)n1 ZINC000352973828 180186655 /nfs/dbraw/zinc/18/66/55/180186655.db2.gz CDUORVZFVNHSBF-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncccc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000353287731 180217437 /nfs/dbraw/zinc/21/74/37/180217437.db2.gz QFRCBKVWKLIOBE-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1ncccc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000353287731 180217439 /nfs/dbraw/zinc/21/74/39/180217439.db2.gz QFRCBKVWKLIOBE-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO O=C(NCCCCF)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637162280 350228671 /nfs/dbraw/zinc/22/86/71/350228671.db2.gz VNRVUMXAPCCLCG-SECBINFHSA-N 1 2 240.282 0.857 20 0 BCADLO CC(=O)NC[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000605148495 350258099 /nfs/dbraw/zinc/25/80/99/350258099.db2.gz YBBNORAPQAQBKH-NSHDSACASA-N 1 2 235.287 0.423 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000617954558 350249100 /nfs/dbraw/zinc/24/91/00/350249100.db2.gz QTHYBRICPXGLCY-MGCOHNPYSA-N 1 2 223.276 0.567 20 0 BCADLO CCOC(=O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000091552510 350250958 /nfs/dbraw/zinc/25/09/58/350250958.db2.gz QWXISYQIHDGNRU-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000091552510 350250960 /nfs/dbraw/zinc/25/09/60/350250960.db2.gz QWXISYQIHDGNRU-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000091552510 350250963 /nfs/dbraw/zinc/25/09/63/350250963.db2.gz QWXISYQIHDGNRU-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[NH+]1CCC(CC(=O)OC)CC1 ZINC000050075971 350281629 /nfs/dbraw/zinc/28/16/29/350281629.db2.gz LYXJSNIVVRSMNE-UHFFFAOYSA-N 1 2 243.303 0.825 20 0 BCADLO CC[C@](C)(C[NH2+][C@@H](C)C(=O)OC)OC ZINC000319190530 350263127 /nfs/dbraw/zinc/26/31/27/350263127.db2.gz OLXPMKNQEGKZLB-WCBMZHEXSA-N 1 2 203.282 0.953 20 0 BCADLO COCCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000563907825 323318294 /nfs/dbraw/zinc/31/82/94/323318294.db2.gz XQNBCOZOZYHWNS-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO COC[C@@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC000068891128 350299552 /nfs/dbraw/zinc/29/95/52/350299552.db2.gz PGOYXZCSWKTBNU-LBPRGKRZSA-N 1 2 228.336 0.021 20 0 BCADLO Cc1nccnc1NC[C@H]1C[N@H+](C)CCO1 ZINC000214349877 180277943 /nfs/dbraw/zinc/27/79/43/180277943.db2.gz XTVOZYBXOJPLMZ-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nccnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000214349877 180277945 /nfs/dbraw/zinc/27/79/45/180277945.db2.gz XTVOZYBXOJPLMZ-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO NS(=O)(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000050349711 350330899 /nfs/dbraw/zinc/33/08/99/350330899.db2.gz CXWVAMVDGYYDRK-UHFFFAOYSA-N 1 2 241.316 0.339 20 0 BCADLO C[C@@H](O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584066 350374582 /nfs/dbraw/zinc/37/45/82/350374582.db2.gz ZENCRPFEBXOLTK-MRVPVSSYSA-N 1 2 234.259 0.837 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)O ZINC000606611536 350391093 /nfs/dbraw/zinc/39/10/93/350391093.db2.gz MCAWVXNHSWUMGM-VIFPVBQESA-N 1 2 240.307 0.342 20 0 BCADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCO ZINC000367556261 180346541 /nfs/dbraw/zinc/34/65/41/180346541.db2.gz HCFOSPSDTLENOH-NSHDSACASA-N 1 2 239.319 0.403 20 0 BCADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCO ZINC000367556261 180346543 /nfs/dbraw/zinc/34/65/43/180346543.db2.gz HCFOSPSDTLENOH-NSHDSACASA-N 1 2 239.319 0.403 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000336379386 180338215 /nfs/dbraw/zinc/33/82/15/180338215.db2.gz YMOPCBLRCQQWHX-NSHDSACASA-N 1 2 236.319 0.357 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000336379386 180338217 /nfs/dbraw/zinc/33/82/17/180338217.db2.gz YMOPCBLRCQQWHX-NSHDSACASA-N 1 2 236.319 0.357 20 0 BCADLO CC(C)(CCO)CNC(=O)Cn1cc[nH+]c1 ZINC000309433503 350458137 /nfs/dbraw/zinc/45/81/37/350458137.db2.gz XZLKRFLDVRKELY-UHFFFAOYSA-N 1 2 225.292 0.408 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1C ZINC000076073080 490548497 /nfs/dbraw/zinc/54/84/97/490548497.db2.gz DUHMIHJDBOWILX-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282253985 180371733 /nfs/dbraw/zinc/37/17/33/180371733.db2.gz BLSYHYOFCWRTJN-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282253985 180371736 /nfs/dbraw/zinc/37/17/36/180371736.db2.gz BLSYHYOFCWRTJN-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000355199887 180372164 /nfs/dbraw/zinc/37/21/64/180372164.db2.gz RBSVYOBVOXLYKR-JTQLQIEISA-N 1 2 222.292 0.049 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000355199887 180372166 /nfs/dbraw/zinc/37/21/66/180372166.db2.gz RBSVYOBVOXLYKR-JTQLQIEISA-N 1 2 222.292 0.049 20 0 BCADLO CSCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427998157 191105759 /nfs/dbraw/zinc/10/57/59/191105759.db2.gz VDTKWKQCDQZNMH-QMMMGPOBSA-N 1 2 225.317 0.677 20 0 BCADLO Cc1nnc(C[N@H+](C)CCn2cccn2)n1C ZINC000103556309 180403105 /nfs/dbraw/zinc/40/31/05/180403105.db2.gz JSVAVHNKNZTSCS-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCn2cccn2)n1C ZINC000103556309 180403108 /nfs/dbraw/zinc/40/31/08/180403108.db2.gz JSVAVHNKNZTSCS-UHFFFAOYSA-N 1 2 234.307 0.452 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025967 191109223 /nfs/dbraw/zinc/10/92/23/191109223.db2.gz WUTIVWWTOKHRFT-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ncccc1O ZINC000428025967 191109224 /nfs/dbraw/zinc/10/92/24/191109224.db2.gz WUTIVWWTOKHRFT-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCCO1 ZINC000637442885 350583613 /nfs/dbraw/zinc/58/36/13/350583613.db2.gz UUZIRLHGLMWBJK-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCCO1 ZINC000637442885 350583615 /nfs/dbraw/zinc/58/36/15/350583615.db2.gz UUZIRLHGLMWBJK-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CC[NH2+]1 ZINC000444144541 191111897 /nfs/dbraw/zinc/11/18/97/191111897.db2.gz TUBCYRIBMKVQAA-MRVPVSSYSA-N 1 2 217.232 0.258 20 0 BCADLO Cc1nnnn1Cc1cn2ccccc2[nH+]1 ZINC000123252062 180454386 /nfs/dbraw/zinc/45/43/86/180454386.db2.gz HDLNFALOAHCMSM-UHFFFAOYSA-N 1 2 214.232 0.678 20 0 BCADLO Cc1c(C[N@H+](C)CC(=O)NC2CC2)cnn1C ZINC000014192387 350658038 /nfs/dbraw/zinc/65/80/38/350658038.db2.gz ABHQGCXTRDKQRD-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c(C[N@@H+](C)CC(=O)NC2CC2)cnn1C ZINC000014192387 350658041 /nfs/dbraw/zinc/65/80/41/350658041.db2.gz ABHQGCXTRDKQRD-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CCN(c1nc(C)[nH+]c(N(C)C)n1)[C@H](C)CO ZINC000338792238 350713119 /nfs/dbraw/zinc/71/31/19/350713119.db2.gz YJTZMZMEJBXJOJ-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO CCN(c1nc(N(C)C)nc(C)[nH+]1)[C@H](C)CO ZINC000338792238 350713124 /nfs/dbraw/zinc/71/31/24/350713124.db2.gz YJTZMZMEJBXJOJ-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO COC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000177240187 365989138 /nfs/dbraw/zinc/98/91/38/365989138.db2.gz QRVQLHJHDKIJRO-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCN1CC[N@H+](CCSC)CC1=O ZINC000308384723 350683284 /nfs/dbraw/zinc/68/32/84/350683284.db2.gz WFCFCRQMLXKDJT-UHFFFAOYSA-N 1 2 202.323 0.514 20 0 BCADLO CCN1CC[N@@H+](CCSC)CC1=O ZINC000308384723 350683288 /nfs/dbraw/zinc/68/32/88/350683288.db2.gz WFCFCRQMLXKDJT-UHFFFAOYSA-N 1 2 202.323 0.514 20 0 BCADLO C[C@@]1(CO)CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000577569695 365992656 /nfs/dbraw/zinc/99/26/56/365992656.db2.gz ZPNAWJHKYUNJGD-JQWIXIFHSA-N 1 2 237.303 0.550 20 0 BCADLO CCc1cnc(NC(=O)[C@H]2COCC[NH2+]2)s1 ZINC000237017218 350745521 /nfs/dbraw/zinc/74/55/21/350745521.db2.gz YMDPGEJWJZMPIY-MRVPVSSYSA-N 1 2 241.316 0.632 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000051474646 350746923 /nfs/dbraw/zinc/74/69/23/350746923.db2.gz UQMCQABPLJQUIC-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000051474646 350746926 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/nfs/dbraw/zinc/90/21/84/351902184.db2.gz ROSQYRRLCYNYCI-UHFFFAOYSA-N 1 2 246.332 0.592 20 0 BCADLO CCN(c1cc[nH+]c(C)n1)[C@@H]1CCNC1=O ZINC000281745561 351907527 /nfs/dbraw/zinc/90/75/27/351907527.db2.gz QQOOXVAXZROEEO-SECBINFHSA-N 1 2 220.276 0.500 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000638030523 351912181 /nfs/dbraw/zinc/91/21/81/351912181.db2.gz GXAWCAXQQXMWNO-GFCCVEGCSA-N 1 2 248.330 0.693 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCNC(=O)CC1 ZINC000638030523 351912184 /nfs/dbraw/zinc/91/21/84/351912184.db2.gz GXAWCAXQQXMWNO-GFCCVEGCSA-N 1 2 248.330 0.693 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCn1cccn1 ZINC000282887130 351949865 /nfs/dbraw/zinc/94/98/65/351949865.db2.gz VYUMBAPHCLEPJH-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCn1cccn1 ZINC000282887130 351949868 /nfs/dbraw/zinc/94/98/68/351949868.db2.gz VYUMBAPHCLEPJH-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN(C)C(=O)C1 ZINC000638090187 351968586 /nfs/dbraw/zinc/96/85/86/351968586.db2.gz VKWOIEBIXHXEJS-GFCCVEGCSA-N 1 2 248.330 0.645 20 0 BCADLO COc1cncc(C[N@H+](C)[C@@H]2CCNC2=O)c1C ZINC000638181671 352048423 /nfs/dbraw/zinc/04/84/23/352048423.db2.gz IJABSXGALWHLFX-LLVKDONJSA-N 1 2 249.314 0.719 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@@H]2CCNC2=O)c1C ZINC000638181671 352048427 /nfs/dbraw/zinc/04/84/27/352048427.db2.gz IJABSXGALWHLFX-LLVKDONJSA-N 1 2 249.314 0.719 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+](C)[C@H]1CCNC1=O ZINC000340217405 352069261 /nfs/dbraw/zinc/06/92/61/352069261.db2.gz CBHDEDHIOQMETF-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340217405 352069262 /nfs/dbraw/zinc/06/92/62/352069262.db2.gz CBHDEDHIOQMETF-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340217408 352069445 /nfs/dbraw/zinc/06/94/45/352069445.db2.gz CBHDEDHIOQMETF-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340217408 352069446 /nfs/dbraw/zinc/06/94/46/352069446.db2.gz CBHDEDHIOQMETF-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC1([NH3+])CCC1 ZINC000638160340 352025020 /nfs/dbraw/zinc/02/50/20/352025020.db2.gz FNKOHAPMVPXXPQ-UHFFFAOYSA-N 1 2 222.292 0.258 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3ccns3)CCN12 ZINC000638163665 352027944 /nfs/dbraw/zinc/02/79/44/352027944.db2.gz GQKSRUCHHSVNNA-MRVPVSSYSA-N 1 2 238.316 0.353 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccns3)CCN12 ZINC000638163665 352027947 /nfs/dbraw/zinc/02/79/47/352027947.db2.gz GQKSRUCHHSVNNA-MRVPVSSYSA-N 1 2 238.316 0.353 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)no1 ZINC000286055693 352074356 /nfs/dbraw/zinc/07/43/56/352074356.db2.gz FUCUVMNTDHCZGK-HTQZYQBOSA-N 1 2 238.291 0.185 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)no1 ZINC000286055693 352074359 /nfs/dbraw/zinc/07/43/59/352074359.db2.gz FUCUVMNTDHCZGK-HTQZYQBOSA-N 1 2 238.291 0.185 20 0 BCADLO COCCCNC(=O)CN(C)c1cccc[nH+]1 ZINC000073344107 352297137 /nfs/dbraw/zinc/29/71/37/352297137.db2.gz HXLQLPYWTHZIOK-UHFFFAOYSA-N 1 2 237.303 0.671 20 0 BCADLO CC[N@H+](Cc1oncc1C(=O)OC)[C@H](C)CO ZINC000292300635 352313569 /nfs/dbraw/zinc/31/35/69/352313569.db2.gz UVMXRHDNMRFAAJ-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CC[N@@H+](Cc1oncc1C(=O)OC)[C@H](C)CO ZINC000292300635 352313572 /nfs/dbraw/zinc/31/35/72/352313572.db2.gz UVMXRHDNMRFAAJ-MRVPVSSYSA-N 1 2 242.275 0.664 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@@H]1CCNC1=O ZINC000411185418 191167402 /nfs/dbraw/zinc/16/74/02/191167402.db2.gz WLXGUEGRMPDMFS-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@@H]1CCNC1=O ZINC000411185418 191167405 /nfs/dbraw/zinc/16/74/05/191167405.db2.gz WLXGUEGRMPDMFS-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CC[N@H+](Cc1conc1C)[C@@H]1CCNC1=O ZINC000294848975 352386348 /nfs/dbraw/zinc/38/63/48/352386348.db2.gz ZSMLWFSUDXRFMV-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1conc1C)[C@@H]1CCNC1=O ZINC000294848975 352386349 /nfs/dbraw/zinc/38/63/49/352386349.db2.gz ZSMLWFSUDXRFMV-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@H+](Cc1csnn1)[C@@H](C)CO ZINC000293688741 352358395 /nfs/dbraw/zinc/35/83/95/352358395.db2.gz QKDZZDBHMOUVTO-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1csnn1)[C@@H](C)CO ZINC000293688741 352358398 /nfs/dbraw/zinc/35/83/98/352358398.db2.gz QKDZZDBHMOUVTO-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)OC)C(=O)OC ZINC000411532460 191193278 /nfs/dbraw/zinc/19/32/78/191193278.db2.gz LKIYNIORCFSKTC-SCZZXKLOSA-N 1 2 231.292 0.727 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cncs1 ZINC000411575847 191195931 /nfs/dbraw/zinc/19/59/31/191195931.db2.gz WYKOHUNPVRAATG-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cncs1 ZINC000411575847 191195934 /nfs/dbraw/zinc/19/59/34/191195934.db2.gz WYKOHUNPVRAATG-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO CC[C@](COC)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411813995 191213448 /nfs/dbraw/zinc/21/34/48/191213448.db2.gz GDCWBAWYQWRRFM-GXSJLCMTSA-N 1 2 233.308 0.315 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cncs1 ZINC000336521211 180744768 /nfs/dbraw/zinc/74/47/68/180744768.db2.gz BSOBPHQTNNWNLS-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000349678220 133902159 /nfs/dbraw/zinc/90/21/59/133902159.db2.gz IGVNJEGTCWRDQD-NXEZZACHSA-N 1 2 222.292 0.981 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCO1 ZINC000264290851 180745757 /nfs/dbraw/zinc/74/57/57/180745757.db2.gz KDGIAZDODFNUCL-QMMMGPOBSA-N 1 2 209.249 0.215 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ncccc1F ZINC000613412249 363188835 /nfs/dbraw/zinc/18/88/35/363188835.db2.gz CUIPWSMGMGCCRQ-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)o1 ZINC000638761601 352698487 /nfs/dbraw/zinc/69/84/87/352698487.db2.gz FTKISTOFUDAYKR-WDEREUQCSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)o1 ZINC000638761600 352698548 /nfs/dbraw/zinc/69/85/48/352698548.db2.gz FTKISTOFUDAYKR-QWRGUYRKSA-N 1 2 239.319 0.792 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000617462458 352710512 /nfs/dbraw/zinc/71/05/12/352710512.db2.gz GWRLGHMCBXHDFJ-GRYCIOLGSA-N 1 2 249.314 0.503 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)CCS(C)(=O)=O)o1 ZINC000638747999 352683005 /nfs/dbraw/zinc/68/30/05/352683005.db2.gz GBSMMWNWFJVWHU-QMMMGPOBSA-N 1 2 246.332 0.896 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c[nH+]1 ZINC000617438546 352684844 /nfs/dbraw/zinc/68/48/44/352684844.db2.gz YKUZSZGMIYWXGX-POYBYMJQSA-N 1 2 246.274 0.745 20 0 BCADLO C[C@](O)(C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000334182387 352770958 /nfs/dbraw/zinc/77/09/58/352770958.db2.gz FWPYKKIHSNVZBS-CYBMUJFWSA-N 1 2 238.331 0.454 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)n1 ZINC000412073101 191251536 /nfs/dbraw/zinc/25/15/36/191251536.db2.gz HHGZCBDJLDSRKZ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)n1 ZINC000412073101 191251539 /nfs/dbraw/zinc/25/15/39/191251539.db2.gz HHGZCBDJLDSRKZ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000334203676 352797786 /nfs/dbraw/zinc/79/77/86/352797786.db2.gz RDKCHIKCHIXIAA-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000334203676 352797790 /nfs/dbraw/zinc/79/77/90/352797790.db2.gz RDKCHIKCHIXIAA-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000334209729 352807017 /nfs/dbraw/zinc/80/70/17/352807017.db2.gz DJJFUBOHEFSREV-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000334209729 352807020 /nfs/dbraw/zinc/80/70/20/352807020.db2.gz DJJFUBOHEFSREV-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412077729 191253430 /nfs/dbraw/zinc/25/34/30/191253430.db2.gz JOCKEUWPOCVIIY-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412077729 191253432 /nfs/dbraw/zinc/25/34/32/191253432.db2.gz JOCKEUWPOCVIIY-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1c[nH+]c(CN2CC[S@@](=O)[C@H](C)C2)n1C ZINC000342807941 352861348 /nfs/dbraw/zinc/86/13/48/352861348.db2.gz QHUKKZDOOMYOSU-QLJPJBMISA-N 1 2 241.360 0.681 20 0 BCADLO Cc1c[nH+]c(CN2CC[S@@](=O)[C@@H](C)C2)n1C ZINC000342807939 352861410 /nfs/dbraw/zinc/86/14/10/352861410.db2.gz QHUKKZDOOMYOSU-MGPLVRAMSA-N 1 2 241.360 0.681 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412065469 191257191 /nfs/dbraw/zinc/25/71/91/191257191.db2.gz FSDAPWPFUYVSGW-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412065469 191257194 /nfs/dbraw/zinc/25/71/94/191257194.db2.gz FSDAPWPFUYVSGW-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCN(Cc1[nH+]cc(C)n1C)[C@H]1CCNC1=O ZINC000342849904 352874290 /nfs/dbraw/zinc/87/42/90/352874290.db2.gz VKQDIHDKBYOXIL-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO CCN1CN(Cc2[nH+]cc(C)n2C)CC1=O ZINC000342851148 352875284 /nfs/dbraw/zinc/87/52/84/352875284.db2.gz IOOYZXDMGZNCIK-UHFFFAOYSA-N 1 2 222.292 0.350 20 0 BCADLO Cc1c[nH+]c(CN(C)CCOCCO)n1C ZINC000342854831 352876533 /nfs/dbraw/zinc/87/65/33/352876533.db2.gz UKXXTWCBJSFQIN-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO Cc1cnc(C[N@H+](C)CCOCCO)n1C ZINC000342854831 352876537 /nfs/dbraw/zinc/87/65/37/352876537.db2.gz UKXXTWCBJSFQIN-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCOCCO)n1C ZINC000342854831 352876541 /nfs/dbraw/zinc/87/65/41/352876541.db2.gz UKXXTWCBJSFQIN-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO CN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000334230655 352848240 /nfs/dbraw/zinc/84/82/40/352848240.db2.gz KBZLSCGCPUQLBP-UHFFFAOYSA-N 1 2 222.292 0.919 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334274767 352911165 /nfs/dbraw/zinc/91/11/65/352911165.db2.gz LXXYZJVHQWUEBA-MRVPVSSYSA-N 1 2 237.303 0.808 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334274767 352911167 /nfs/dbraw/zinc/91/11/67/352911167.db2.gz LXXYZJVHQWUEBA-MRVPVSSYSA-N 1 2 237.303 0.808 20 0 BCADLO COCCCOCC(=O)NCc1[nH]cc[nH+]1 ZINC000342880587 352886198 /nfs/dbraw/zinc/88/61/98/352886198.db2.gz HXEIVUFIVDHSAP-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO O=C(Cn1cccn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334338737 352973185 /nfs/dbraw/zinc/97/31/85/352973185.db2.gz ZEUGGNKOQIJGND-JTQLQIEISA-N 1 2 245.286 0.970 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)C(C)(C)C1 ZINC000279105566 180821927 /nfs/dbraw/zinc/82/19/27/180821927.db2.gz QHVHFSHQOYLUFH-SECBINFHSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)CN1C ZINC000334352507 352988152 /nfs/dbraw/zinc/98/81/52/352988152.db2.gz XGIICIUKCILQDT-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)CN1C ZINC000334352507 352988156 /nfs/dbraw/zinc/98/81/56/352988156.db2.gz XGIICIUKCILQDT-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CCc1nnc(C[N@H+](C)CCO)s1 ZINC000379406059 538106399 /nfs/dbraw/zinc/10/63/99/538106399.db2.gz VLDDVNJFCWUPFQ-UHFFFAOYSA-N 1 2 201.295 0.525 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCO)s1 ZINC000379406059 538106401 /nfs/dbraw/zinc/10/64/01/538106401.db2.gz VLDDVNJFCWUPFQ-UHFFFAOYSA-N 1 2 201.295 0.525 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCc2[nH+]ccn2C)C1(F)F ZINC000334314622 352945103 /nfs/dbraw/zinc/94/51/03/352945103.db2.gz PNSJSSZPSWYXPH-HTRCEHHLSA-N 1 2 229.230 0.938 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334314846 352945989 /nfs/dbraw/zinc/94/59/89/352945989.db2.gz PYGUQCKAMQFGCZ-DTWKUNHWSA-N 1 2 223.276 0.497 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000334315722 352946756 /nfs/dbraw/zinc/94/67/56/352946756.db2.gz RIAJQQNNYHRVBK-SECBINFHSA-N 1 2 238.291 0.486 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000334315722 352946758 /nfs/dbraw/zinc/94/67/58/352946758.db2.gz RIAJQQNNYHRVBK-SECBINFHSA-N 1 2 238.291 0.486 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC000334328593 352965916 /nfs/dbraw/zinc/96/59/16/352965916.db2.gz MYHYSZIIUGABMI-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC000334328593 352965920 /nfs/dbraw/zinc/96/59/20/352965920.db2.gz MYHYSZIIUGABMI-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)COCCOC)C(=O)OC ZINC000336749766 353015445 /nfs/dbraw/zinc/01/54/45/353015445.db2.gz YYOONARWWINXGI-NXEZZACHSA-N 1 2 233.308 0.579 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412102963 191262624 /nfs/dbraw/zinc/26/26/24/191262624.db2.gz YJSRKZKTXKDAPV-JQWIXIFHSA-N 1 2 229.320 0.827 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412102963 191262627 /nfs/dbraw/zinc/26/26/27/191262627.db2.gz YJSRKZKTXKDAPV-JQWIXIFHSA-N 1 2 229.320 0.827 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334396734 353070121 /nfs/dbraw/zinc/07/01/21/353070121.db2.gz CKQBNZRRFZWDAX-NSHDSACASA-N 1 2 235.287 0.790 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334396734 353070123 /nfs/dbraw/zinc/07/01/23/353070123.db2.gz CKQBNZRRFZWDAX-NSHDSACASA-N 1 2 235.287 0.790 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000334381774 353048118 /nfs/dbraw/zinc/04/81/18/353048118.db2.gz JRABPNIDGPBRMM-LURJTMIESA-N 1 2 230.218 0.356 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000334472470 353117946 /nfs/dbraw/zinc/11/79/46/353117946.db2.gz IBENZFCUBVVMMM-GHMZBOCLSA-N 1 2 248.392 0.998 20 0 BCADLO CC[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000334472470 353117947 /nfs/dbraw/zinc/11/79/47/353117947.db2.gz IBENZFCUBVVMMM-GHMZBOCLSA-N 1 2 248.392 0.998 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000353912296 188061634 /nfs/dbraw/zinc/06/16/34/188061634.db2.gz UAKRJAIJARWBNH-UHFFFAOYSA-N 1 2 232.243 0.247 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000353912296 188061636 /nfs/dbraw/zinc/06/16/36/188061636.db2.gz UAKRJAIJARWBNH-UHFFFAOYSA-N 1 2 232.243 0.247 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(Cc3cscn3)C[C@H]21 ZINC000353749799 188062055 /nfs/dbraw/zinc/06/20/55/188062055.db2.gz MMPBDDYTQAWKRK-MNOVXSKESA-N 1 2 239.344 0.658 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(Cc3cscn3)C[C@H]21 ZINC000353749799 188062056 /nfs/dbraw/zinc/06/20/56/188062056.db2.gz MMPBDDYTQAWKRK-MNOVXSKESA-N 1 2 239.344 0.658 20 0 BCADLO O=C(CO)NCc1ccc[nH+]c1N1CCCC1 ZINC000617484660 353148439 /nfs/dbraw/zinc/14/84/39/353148439.db2.gz GERZUSXRCFFYSJ-UHFFFAOYSA-N 1 2 235.287 0.290 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000361327528 188070617 /nfs/dbraw/zinc/07/06/17/188070617.db2.gz YBBROZLRZOJRMS-SNVBAGLBSA-N 1 2 238.335 0.960 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000361327528 188070619 /nfs/dbraw/zinc/07/06/19/188070619.db2.gz YBBROZLRZOJRMS-SNVBAGLBSA-N 1 2 238.335 0.960 20 0 BCADLO CC(C)[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000047617938 353153216 /nfs/dbraw/zinc/15/32/16/353153216.db2.gz LVGDPOPKFJSOLB-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000124305385 188083943 /nfs/dbraw/zinc/08/39/43/188083943.db2.gz ZAAHSYLUVCJYNI-UHFFFAOYSA-N 1 2 247.302 0.425 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000124305385 188083944 /nfs/dbraw/zinc/08/39/44/188083944.db2.gz ZAAHSYLUVCJYNI-UHFFFAOYSA-N 1 2 247.302 0.425 20 0 BCADLO C[C@H]1CCN(c2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000532088432 353169117 /nfs/dbraw/zinc/16/91/17/353169117.db2.gz SWNTXBSUHMOWKI-VHSXEESVSA-N 1 2 247.306 0.494 20 0 BCADLO Cc1cc(N(C)[C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000343251795 353195299 /nfs/dbraw/zinc/19/52/99/353195299.db2.gz PKHJBVQPACIRJU-VIFPVBQESA-N 1 2 220.276 0.452 20 0 BCADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC(=O)N(C)C1 ZINC000638974092 353179618 /nfs/dbraw/zinc/17/96/18/353179618.db2.gz ZUFCNLZYBPCTGA-LLVKDONJSA-N 1 2 234.303 0.603 20 0 BCADLO Cc1nc(N2CC[C@@H](NC(N)=O)C2)cc[nH+]1 ZINC000677810563 538110802 /nfs/dbraw/zinc/11/08/02/538110802.db2.gz VOSOOCYNQQQSEM-MRVPVSSYSA-N 1 2 221.264 0.032 20 0 BCADLO Cc1nc(N(CCO)[C@@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000360270045 188157181 /nfs/dbraw/zinc/15/71/81/188157181.db2.gz YZMLWMYQJCBNAU-MWLCHTKSSA-N 1 2 237.303 0.761 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000149271614 188157251 /nfs/dbraw/zinc/15/72/51/188157251.db2.gz GSUDFERTRXMWIR-SNVBAGLBSA-N 1 2 205.261 0.796 20 0 BCADLO Cc1c(C[N@@H+]2CCNC(=O)C2(C)C)cnn1C ZINC000268998039 188197303 /nfs/dbraw/zinc/19/73/03/188197303.db2.gz IUTPOYYBTOTLJY-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c(C[N@H+]2CCNC(=O)C2(C)C)cnn1C ZINC000268998039 188197306 /nfs/dbraw/zinc/19/73/06/188197306.db2.gz IUTPOYYBTOTLJY-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cn1 ZINC000193874019 188175252 /nfs/dbraw/zinc/17/52/52/188175252.db2.gz LQRLHMCRAVSFHC-LBPRGKRZSA-N 1 2 248.330 0.940 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cn1 ZINC000193874019 188175253 /nfs/dbraw/zinc/17/52/53/188175253.db2.gz LQRLHMCRAVSFHC-LBPRGKRZSA-N 1 2 248.330 0.940 20 0 BCADLO CC(C)COCC[N@@H+]1CCNC(=O)C1(C)C ZINC000336666822 188181725 /nfs/dbraw/zinc/18/17/25/188181725.db2.gz LLCGPJPTASHZOL-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)COCC[N@H+]1CCNC(=O)C1(C)C ZINC000336666822 188181726 /nfs/dbraw/zinc/18/17/26/188181726.db2.gz LLCGPJPTASHZOL-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO C/C=C/C=C/C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365668696 188185389 /nfs/dbraw/zinc/18/53/89/188185389.db2.gz ANBKQTVCGCETMB-CHYWWQAASA-N 1 2 238.287 0.138 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622366 188189905 /nfs/dbraw/zinc/18/99/05/188189905.db2.gz BNNVPUVQYBONDR-ZYHUDNBSSA-N 1 2 246.326 0.648 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338622366 188189907 /nfs/dbraw/zinc/18/99/07/188189907.db2.gz BNNVPUVQYBONDR-ZYHUDNBSSA-N 1 2 246.326 0.648 20 0 BCADLO C[C@H](C(=O)N(C)[C@@H](C)C1CC1)[NH+]1CCOCC1 ZINC000339681933 188192559 /nfs/dbraw/zinc/19/25/59/188192559.db2.gz VCXJQTJWSIMXQP-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294800552 188214182 /nfs/dbraw/zinc/21/41/82/188214182.db2.gz MTSZJMGYKJAYLX-NSHDSACASA-N 1 2 240.278 0.722 20 0 BCADLO Cc1nc(F)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294800552 188214183 /nfs/dbraw/zinc/21/41/83/188214183.db2.gz MTSZJMGYKJAYLX-NSHDSACASA-N 1 2 240.278 0.722 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCSCC1 ZINC000276620853 188202327 /nfs/dbraw/zinc/20/23/27/188202327.db2.gz QZLJBSLAHGEUPV-UHFFFAOYSA-N 1 2 239.344 0.928 20 0 BCADLO CC(C)(O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000277032369 188203076 /nfs/dbraw/zinc/20/30/76/188203076.db2.gz GPYAPOOPXQQSDI-UHFFFAOYSA-N 1 2 233.271 0.721 20 0 BCADLO CC(C)(O)CONC(=O)c1ccc2[nH+]ccn2c1 ZINC000280684364 188206315 /nfs/dbraw/zinc/20/63/15/188206315.db2.gz CXOWMVAGKFLPFE-UHFFFAOYSA-N 1 2 249.270 0.767 20 0 BCADLO CC(C)[C@H](O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000291110610 188211764 /nfs/dbraw/zinc/21/17/64/188211764.db2.gz MOEKRCPIGADRLE-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@H](CCO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134569158 538113359 /nfs/dbraw/zinc/11/33/59/538113359.db2.gz HAMBWKILDUFFAK-WPRPVWTQSA-N 1 2 227.308 0.766 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000251708626 353287063 /nfs/dbraw/zinc/28/70/63/353287063.db2.gz KIIPBBDJQBSFCY-QWRGUYRKSA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000251708626 353287066 /nfs/dbraw/zinc/28/70/66/353287066.db2.gz KIIPBBDJQBSFCY-QWRGUYRKSA-N 1 2 244.335 0.247 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000332715263 188226970 /nfs/dbraw/zinc/22/69/70/188226970.db2.gz PWHDUZGSIGAYNB-MRVPVSSYSA-N 1 2 240.307 0.481 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000332715263 188226972 /nfs/dbraw/zinc/22/69/72/188226972.db2.gz PWHDUZGSIGAYNB-MRVPVSSYSA-N 1 2 240.307 0.481 20 0 BCADLO CO[C@H](C[NH2+]CC(F)(F)CO)[C@H]1CCOC1 ZINC000639055606 353358769 /nfs/dbraw/zinc/35/87/69/353358769.db2.gz VCIAILQMWVUIMK-DTWKUNHWSA-N 1 2 239.262 0.255 20 0 BCADLO CO[C@](C)(C[N@@H+]1CCn2ncnc2C1)C1CC1 ZINC000639057846 353363617 /nfs/dbraw/zinc/36/36/17/353363617.db2.gz VWICLKCZTYVCQQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@](C)(C[N@H+]1CCn2ncnc2C1)C1CC1 ZINC000639057846 353363620 /nfs/dbraw/zinc/36/36/20/353363620.db2.gz VWICLKCZTYVCQQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COCCN2C)cc[nH+]1 ZINC000343299081 353424213 /nfs/dbraw/zinc/42/42/13/353424213.db2.gz BVHDGYMIOYPHBU-NSHDSACASA-N 1 2 235.287 0.081 20 0 BCADLO C[N@H+](CCO)Cc1cn(C(C)(C)C)nn1 ZINC000191160343 353442661 /nfs/dbraw/zinc/44/26/61/353442661.db2.gz KPORMHGMNKCCMQ-UHFFFAOYSA-N 1 2 212.297 0.457 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C(C)(C)C)nn1 ZINC000191160343 353442662 /nfs/dbraw/zinc/44/26/62/353442662.db2.gz KPORMHGMNKCCMQ-UHFFFAOYSA-N 1 2 212.297 0.457 20 0 BCADLO CCC1(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000335681256 535233715 /nfs/dbraw/zinc/23/37/15/535233715.db2.gz SBBLBPPCKCVHNT-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccns1 ZINC000639093097 353470662 /nfs/dbraw/zinc/47/06/62/353470662.db2.gz AJNMSVWIHNDWGF-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccns1 ZINC000639093097 353470665 /nfs/dbraw/zinc/47/06/65/353470665.db2.gz AJNMSVWIHNDWGF-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000308802738 353545826 /nfs/dbraw/zinc/54/58/26/353545826.db2.gz FFZHDWQFUXVUJT-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ncccn1 ZINC000192186440 353547426 /nfs/dbraw/zinc/54/74/26/353547426.db2.gz RPRVSVZAZRTORO-LBPRGKRZSA-N 1 2 234.303 0.707 20 0 BCADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ncccn1 ZINC000192186440 353547430 /nfs/dbraw/zinc/54/74/30/353547430.db2.gz RPRVSVZAZRTORO-LBPRGKRZSA-N 1 2 234.303 0.707 20 0 BCADLO Cc1cc(N2CC[C@H](O)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399008759 353586561 /nfs/dbraw/zinc/58/65/61/353586561.db2.gz WAUFQNOUDGRQAD-YPMHNXCESA-N 1 2 247.298 0.441 20 0 BCADLO CNC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000334514985 353593718 /nfs/dbraw/zinc/59/37/18/353593718.db2.gz TYFUIZWZWYJDPM-UHFFFAOYSA-N 1 2 234.303 0.255 20 0 BCADLO CNC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000334514985 353593721 /nfs/dbraw/zinc/59/37/21/353593721.db2.gz TYFUIZWZWYJDPM-UHFFFAOYSA-N 1 2 234.303 0.255 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193488511 353595593 /nfs/dbraw/zinc/59/55/93/353595593.db2.gz VUUOLVRBDYYJRN-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193488511 353595594 /nfs/dbraw/zinc/59/55/94/353595594.db2.gz VUUOLVRBDYYJRN-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CCONC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000366816726 353625839 /nfs/dbraw/zinc/62/58/39/353625839.db2.gz UZSZSDPVCPKSLX-VIFPVBQESA-N 1 2 238.291 0.871 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000577876816 366095978 /nfs/dbraw/zinc/09/59/78/366095978.db2.gz HSPSCHPNPGRSGX-UWVGGRQHSA-N 1 2 223.276 0.427 20 0 BCADLO CC(C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000232555365 353733013 /nfs/dbraw/zinc/73/30/13/353733013.db2.gz UHMIODGTWFHZRD-UHFFFAOYSA-N 1 2 216.672 0.895 20 0 BCADLO CC(C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000232555365 353733015 /nfs/dbraw/zinc/73/30/15/353733015.db2.gz UHMIODGTWFHZRD-UHFFFAOYSA-N 1 2 216.672 0.895 20 0 BCADLO CC[C@H](CNC(=O)Cc1c[nH+]cn1C)OC ZINC000577926355 366102655 /nfs/dbraw/zinc/10/26/55/366102655.db2.gz DDIKCNYKUAUUOR-SNVBAGLBSA-N 1 2 225.292 0.504 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CC[C@H](O)C1 ZINC000232327864 353711798 /nfs/dbraw/zinc/71/17/98/353711798.db2.gz RHLUFZGYKNMVMT-IUCAKERBSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000577929472 366106752 /nfs/dbraw/zinc/10/67/52/366106752.db2.gz LQUVSWCDUOFCAL-ZJUUUORDSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000577929472 366106756 /nfs/dbraw/zinc/10/67/56/366106756.db2.gz LQUVSWCDUOFCAL-ZJUUUORDSA-N 1 2 242.344 0.627 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577917250 366102039 /nfs/dbraw/zinc/10/20/39/366102039.db2.gz QEGPFNNHJUEZGN-JTQLQIEISA-N 1 2 239.319 0.486 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639121706 353772079 /nfs/dbraw/zinc/77/20/79/353772079.db2.gz VRKJBFLROURHLI-YUMQZZPRSA-N 1 2 244.316 0.910 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[S@@]1=O ZINC000353822846 353808974 /nfs/dbraw/zinc/80/89/74/353808974.db2.gz USBKVQYRIZSYNQ-CLAHSXSESA-N 1 2 213.306 0.363 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[S@@]1=O ZINC000353822846 353808978 /nfs/dbraw/zinc/80/89/78/353808978.db2.gz USBKVQYRIZSYNQ-CLAHSXSESA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H](Cn1cncn1)[NH2+]Cc1noc(C2CC2)n1 ZINC000639127441 353838922 /nfs/dbraw/zinc/83/89/22/353838922.db2.gz PYLFDOALPHQCOO-MRVPVSSYSA-N 1 2 248.290 0.717 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000138308774 353866163 /nfs/dbraw/zinc/86/61/63/353866163.db2.gz KNCYEQJLQCZAQZ-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000138308774 353866166 /nfs/dbraw/zinc/86/61/66/353866166.db2.gz KNCYEQJLQCZAQZ-VIFPVBQESA-N 1 2 223.276 0.904 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000343405585 353878361 /nfs/dbraw/zinc/87/83/61/353878361.db2.gz RLIBVFMCAOTFTF-VIFPVBQESA-N 1 2 240.307 0.805 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1C ZINC000639139607 353856019 /nfs/dbraw/zinc/85/60/19/353856019.db2.gz OZKUORJTCAKRNU-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1C ZINC000639139607 353856021 /nfs/dbraw/zinc/85/60/21/353856021.db2.gz OZKUORJTCAKRNU-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334537372 353924419 /nfs/dbraw/zinc/92/44/19/353924419.db2.gz HFRJFZRBGBDHLD-DTWKUNHWSA-N 1 2 237.303 0.669 20 0 BCADLO CCCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000343589036 353941181 /nfs/dbraw/zinc/94/11/81/353941181.db2.gz LATUCXSWRVFQMS-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000343589036 353941182 /nfs/dbraw/zinc/94/11/82/353941182.db2.gz LATUCXSWRVFQMS-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000343592050 353941568 /nfs/dbraw/zinc/94/15/68/353941568.db2.gz RZGMJQJDNODAPO-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000343592050 353941571 /nfs/dbraw/zinc/94/15/71/353941571.db2.gz RZGMJQJDNODAPO-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000343594097 353942442 /nfs/dbraw/zinc/94/24/42/353942442.db2.gz XSGRCLRMDXWVGZ-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000343594097 353942445 /nfs/dbraw/zinc/94/24/45/353942445.db2.gz XSGRCLRMDXWVGZ-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1cncnc1 ZINC000343624497 353947589 /nfs/dbraw/zinc/94/75/89/353947589.db2.gz PPBUZMUKRSCPLX-QWRGUYRKSA-N 1 2 232.287 0.187 20 0 BCADLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1cncnc1 ZINC000343624497 353947591 /nfs/dbraw/zinc/94/75/91/353947591.db2.gz PPBUZMUKRSCPLX-QWRGUYRKSA-N 1 2 232.287 0.187 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2CO)nc1 ZINC000343708855 353968574 /nfs/dbraw/zinc/96/85/74/353968574.db2.gz JWVUZHMYXCGCDD-SNVBAGLBSA-N 1 2 239.344 0.695 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@H]2CO)nc1 ZINC000343708855 353968576 /nfs/dbraw/zinc/96/85/76/353968576.db2.gz JWVUZHMYXCGCDD-SNVBAGLBSA-N 1 2 239.344 0.695 20 0 BCADLO CCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000343753158 353972816 /nfs/dbraw/zinc/97/28/16/353972816.db2.gz JKJVBUVJCVWLSB-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000343753158 353972818 /nfs/dbraw/zinc/97/28/18/353972818.db2.gz JKJVBUVJCVWLSB-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCN1CCNC1=O ZINC000343712916 353956519 /nfs/dbraw/zinc/95/65/19/353956519.db2.gz NPRYOLAGEKZOQZ-WDEREUQCSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCN1CCNC1=O ZINC000343712916 353956521 /nfs/dbraw/zinc/95/65/21/353956521.db2.gz NPRYOLAGEKZOQZ-WDEREUQCSA-N 1 2 240.351 0.036 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000343719503 353957640 /nfs/dbraw/zinc/95/76/40/353957640.db2.gz IKCDAFYFTPBSEO-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000343719503 353957644 /nfs/dbraw/zinc/95/76/44/353957644.db2.gz IKCDAFYFTPBSEO-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000343719501 353957956 /nfs/dbraw/zinc/95/79/56/353957956.db2.gz IKCDAFYFTPBSEO-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000343719501 353957958 /nfs/dbraw/zinc/95/79/58/353957958.db2.gz IKCDAFYFTPBSEO-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1CC[C@@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348711287 366130919 /nfs/dbraw/zinc/13/09/19/366130919.db2.gz XVHSPCREVFIIIM-HGNGGELXSA-N 1 2 248.286 0.671 20 0 BCADLO C[C@H]1CC[C@@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348711287 366130924 /nfs/dbraw/zinc/13/09/24/366130924.db2.gz XVHSPCREVFIIIM-HGNGGELXSA-N 1 2 248.286 0.671 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCOC1)CC2 ZINC000627121829 363290182 /nfs/dbraw/zinc/29/01/82/363290182.db2.gz JYJYXVVONXKPIY-NSHDSACASA-N 1 2 249.314 0.960 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cncs2)CC(=O)N1C ZINC000334556412 354002831 /nfs/dbraw/zinc/00/28/31/354002831.db2.gz AFIKDJYRXVFTLB-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cncs2)CC(=O)N1C ZINC000334556412 354002833 /nfs/dbraw/zinc/00/28/33/354002833.db2.gz AFIKDJYRXVFTLB-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO CC(C)=CC[N@@H+]1CCn2c(CO)nnc2C1 ZINC000343803827 354008101 /nfs/dbraw/zinc/00/81/01/354008101.db2.gz CHQLIISMRKAGDG-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO CC(C)=CC[N@H+]1CCn2c(CO)nnc2C1 ZINC000343803827 354008106 /nfs/dbraw/zinc/00/81/06/354008106.db2.gz CHQLIISMRKAGDG-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO CO[C@H](C)CN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000343814925 354012222 /nfs/dbraw/zinc/01/22/22/354012222.db2.gz WFKGURLZSXISHG-MRVPVSSYSA-N 1 2 239.323 0.717 20 0 BCADLO CO[C@H](C)CN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000343814925 354012226 /nfs/dbraw/zinc/01/22/26/354012226.db2.gz WFKGURLZSXISHG-MRVPVSSYSA-N 1 2 239.323 0.717 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000343816746 354013174 /nfs/dbraw/zinc/01/31/74/354013174.db2.gz XMQFMSVROHWCMM-MRVPVSSYSA-N 1 2 223.276 0.826 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCCOCC2)n1 ZINC000366844359 354017527 /nfs/dbraw/zinc/01/75/27/354017527.db2.gz JKCYZPVEHFQZEM-UHFFFAOYSA-N 1 2 226.280 0.358 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCCOCC2)n1 ZINC000366844359 354017529 /nfs/dbraw/zinc/01/75/29/354017529.db2.gz JKCYZPVEHFQZEM-UHFFFAOYSA-N 1 2 226.280 0.358 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1ccon1 ZINC000343831420 354034043 /nfs/dbraw/zinc/03/40/43/354034043.db2.gz XISGHDYZENZHDV-SNVBAGLBSA-N 1 2 228.248 0.030 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccon1 ZINC000343831420 354034045 /nfs/dbraw/zinc/03/40/45/354034045.db2.gz XISGHDYZENZHDV-SNVBAGLBSA-N 1 2 228.248 0.030 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059475 354129056 /nfs/dbraw/zinc/12/90/56/354129056.db2.gz LFKPPSYFBHGRDW-RKDXNWHRSA-N 1 2 240.307 0.725 20 0 BCADLO COC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059475 354129058 /nfs/dbraw/zinc/12/90/58/354129058.db2.gz LFKPPSYFBHGRDW-RKDXNWHRSA-N 1 2 240.307 0.725 20 0 BCADLO Cn1ccc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000230882072 363326926 /nfs/dbraw/zinc/32/69/26/363326926.db2.gz WOVXNOVXILSRPI-UHFFFAOYSA-N 1 2 205.265 0.476 20 0 BCADLO C/C=C/CS(=O)(=O)Cc1c[nH+]cn1C ZINC000344010559 354115543 /nfs/dbraw/zinc/11/55/43/354115543.db2.gz KAMQKUMYWZKSQP-ONEGZZNKSA-N 1 2 214.290 0.911 20 0 BCADLO Cn1nccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000344172432 354172177 /nfs/dbraw/zinc/17/21/77/354172177.db2.gz MAGBDJCDIGETRK-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc[nH]1 ZINC000344181534 354176357 /nfs/dbraw/zinc/17/63/57/354176357.db2.gz PZGFCUHOAQESES-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cc1scnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000529549229 324336964 /nfs/dbraw/zinc/33/69/64/324336964.db2.gz NPEXHSOINGZZSM-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1scnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000529549229 324336967 /nfs/dbraw/zinc/33/69/67/324336967.db2.gz NPEXHSOINGZZSM-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCOCCOC ZINC000344121031 354144323 /nfs/dbraw/zinc/14/43/23/354144323.db2.gz SCHSLRMICRCBMJ-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCOCCOC ZINC000344121031 354144327 /nfs/dbraw/zinc/14/43/27/354144327.db2.gz SCHSLRMICRCBMJ-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc[nH]n1 ZINC000344150826 354156271 /nfs/dbraw/zinc/15/62/71/354156271.db2.gz AOBCICVVNKRSQE-UHFFFAOYSA-N 1 2 206.209 0.099 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@H]1CCOC1 ZINC000231345599 363341999 /nfs/dbraw/zinc/34/19/99/363341999.db2.gz SLFLOXGGDKKTIC-MRVPVSSYSA-N 1 2 209.236 0.582 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@H]1CCOC1 ZINC000231345599 363342002 /nfs/dbraw/zinc/34/20/02/363342002.db2.gz SLFLOXGGDKKTIC-MRVPVSSYSA-N 1 2 209.236 0.582 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC000529597555 324359167 /nfs/dbraw/zinc/35/91/67/324359167.db2.gz WIDKRDPKOUIMLI-GHMZBOCLSA-N 1 2 226.251 0.412 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344248080 354189895 /nfs/dbraw/zinc/18/98/95/354189895.db2.gz QSOLHLYYYOBWOW-JGVFFNPUSA-N 1 2 223.276 0.418 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344248080 354189897 /nfs/dbraw/zinc/18/98/97/354189897.db2.gz QSOLHLYYYOBWOW-JGVFFNPUSA-N 1 2 223.276 0.418 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CCCCO2)CC1=O ZINC000334589662 354217910 /nfs/dbraw/zinc/21/79/10/354217910.db2.gz JTGOFVQENYAZLS-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CCCCO2)CC1=O ZINC000334589662 354217913 /nfs/dbraw/zinc/21/79/13/354217913.db2.gz JTGOFVQENYAZLS-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCOC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000529667465 324374418 /nfs/dbraw/zinc/37/44/18/324374418.db2.gz WMBSERYIJLXJCR-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000529667465 324374419 /nfs/dbraw/zinc/37/44/19/324374419.db2.gz WMBSERYIJLXJCR-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO CCOC[C@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000529667464 324374580 /nfs/dbraw/zinc/37/45/80/324374580.db2.gz WMBSERYIJLXJCR-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO CCOC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000529667464 324374585 /nfs/dbraw/zinc/37/45/85/324374585.db2.gz WMBSERYIJLXJCR-GFCCVEGCSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)n(C)n1 ZINC000334597610 354232231 /nfs/dbraw/zinc/23/22/31/354232231.db2.gz JSGQGCXFBAREAA-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)n(C)n1 ZINC000334597610 354232233 /nfs/dbraw/zinc/23/22/33/354232233.db2.gz JSGQGCXFBAREAA-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[C@@H](O)C1 ZINC000334613985 354298864 /nfs/dbraw/zinc/29/88/64/354298864.db2.gz SGGLRNSOJJWKRF-DTWKUNHWSA-N 1 2 223.276 0.577 20 0 BCADLO CC(=O)NC1CN([C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639181098 354275724 /nfs/dbraw/zinc/27/57/24/354275724.db2.gz RMHDYSQSOQVBFH-GFCCVEGCSA-N 1 2 248.330 0.692 20 0 BCADLO O=C1NC[C@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000334605904 354312201 /nfs/dbraw/zinc/31/22/01/354312201.db2.gz YJOWHOHDJXOSOE-ZETCQYMHSA-N 1 2 237.225 0.648 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000334605904 354312205 /nfs/dbraw/zinc/31/22/05/354312205.db2.gz YJOWHOHDJXOSOE-ZETCQYMHSA-N 1 2 237.225 0.648 20 0 BCADLO C[C@@H]1CSCCN1C(=O)Cc1c[nH+]cn1C ZINC000577973878 366153609 /nfs/dbraw/zinc/15/36/09/366153609.db2.gz BPWXXNZJUGDDFK-SECBINFHSA-N 1 2 239.344 0.927 20 0 BCADLO Cc1occc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000334609691 354317715 /nfs/dbraw/zinc/31/77/15/354317715.db2.gz MOFMKSDQZDUYLV-UHFFFAOYSA-N 1 2 238.287 0.225 20 0 BCADLO CN(C)c1noc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000366873439 354336529 /nfs/dbraw/zinc/33/65/29/354336529.db2.gz ZIKPAFBJFJVCOT-QMMMGPOBSA-N 1 2 238.291 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000366873439 354336530 /nfs/dbraw/zinc/33/65/30/354336530.db2.gz ZIKPAFBJFJVCOT-QMMMGPOBSA-N 1 2 238.291 0.092 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1COCCN1C ZINC000344746486 354349168 /nfs/dbraw/zinc/34/91/68/354349168.db2.gz KITLCFCYMGFZOU-NSHDSACASA-N 1 2 235.287 0.081 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000383612670 354380743 /nfs/dbraw/zinc/38/07/43/354380743.db2.gz NZJXHJSFHMDOKM-SNVBAGLBSA-N 1 2 231.267 0.860 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000383612670 354380744 /nfs/dbraw/zinc/38/07/44/354380744.db2.gz NZJXHJSFHMDOKM-SNVBAGLBSA-N 1 2 231.267 0.860 20 0 BCADLO Cc1nc(N2CC(C)(O)C2)c(C)c(C)[nH+]1 ZINC000344945397 354381428 /nfs/dbraw/zinc/38/14/28/354381428.db2.gz SWGXABUAQYRRSL-UHFFFAOYSA-N 1 2 207.277 0.973 20 0 BCADLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000334624613 354364266 /nfs/dbraw/zinc/36/42/66/354364266.db2.gz LVJQHAUKJRUQMO-GFCCVEGCSA-N 1 2 244.310 0.669 20 0 BCADLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000334624613 354364267 /nfs/dbraw/zinc/36/42/67/354364267.db2.gz LVJQHAUKJRUQMO-GFCCVEGCSA-N 1 2 244.310 0.669 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)N(C)CC)CCO1 ZINC000344778750 354364533 /nfs/dbraw/zinc/36/45/33/354364533.db2.gz XMUXEIYZTASHHW-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)N(C)CC)CCO1 ZINC000344778750 354364536 /nfs/dbraw/zinc/36/45/36/354364536.db2.gz XMUXEIYZTASHHW-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CC(C)[C@@H](CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC000334642976 354399450 /nfs/dbraw/zinc/39/94/50/354399450.db2.gz QMAUASOQOFNESY-LLVKDONJSA-N 1 2 237.303 0.490 20 0 BCADLO C[C@H](C(=O)N1CC[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000334671617 354413262 /nfs/dbraw/zinc/41/32/62/354413262.db2.gz WHAZVCNGHQRWCB-PWSUYJOCSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H]1C1CC1)[NH+]1CCOCC1 ZINC000334671618 354413270 /nfs/dbraw/zinc/41/32/70/354413270.db2.gz WHAZVCNGHQRWCB-ZYHUDNBSSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000334683680 354429508 /nfs/dbraw/zinc/42/95/08/354429508.db2.gz DVYVNEAWJMOBSJ-JTQLQIEISA-N 1 2 228.336 0.822 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000334683680 354429511 /nfs/dbraw/zinc/42/95/11/354429511.db2.gz DVYVNEAWJMOBSJ-JTQLQIEISA-N 1 2 228.336 0.822 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000334683732 354429763 /nfs/dbraw/zinc/42/97/63/354429763.db2.gz QMYOCHYLCQQTBV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000334683732 354429764 /nfs/dbraw/zinc/42/97/64/354429764.db2.gz QMYOCHYLCQQTBV-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1ccn(CC(=O)Nc2cc[nH+]cc2C)n1 ZINC000334727225 354526950 /nfs/dbraw/zinc/52/69/50/354526950.db2.gz YGLYQFJGCJRDFI-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000334722077 354522177 /nfs/dbraw/zinc/52/21/77/354522177.db2.gz LGCVVMUDZVTXOS-LLVKDONJSA-N 1 2 241.335 0.370 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@H](F)C2)CCN1C1CC1 ZINC000334806855 354563408 /nfs/dbraw/zinc/56/34/08/354563408.db2.gz BEVBEZRUUWBXAH-WPRPVWTQSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@H](F)C2)CCN1C1CC1 ZINC000334806855 354563409 /nfs/dbraw/zinc/56/34/09/354563409.db2.gz BEVBEZRUUWBXAH-WPRPVWTQSA-N 1 2 212.268 0.794 20 0 BCADLO C[C@H](c1nncn1C)[NH+]1CCSCC1 ZINC000334814929 354573036 /nfs/dbraw/zinc/57/30/36/354573036.db2.gz AICGHMRJAUMEMQ-MRVPVSSYSA-N 1 2 212.322 0.925 20 0 BCADLO Cn1cc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000345368921 354639461 /nfs/dbraw/zinc/63/94/61/354639461.db2.gz CZZCCRLLCNJMIT-UHFFFAOYSA-N 1 2 218.216 0.195 20 0 BCADLO CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000335081649 354645041 /nfs/dbraw/zinc/64/50/41/354645041.db2.gz RELJLCHREINVAN-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000335081649 354645044 /nfs/dbraw/zinc/64/50/44/354645044.db2.gz RELJLCHREINVAN-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345679951 354731097 /nfs/dbraw/zinc/73/10/97/354731097.db2.gz DUDKOMLGCMSQOF-VIFPVBQESA-N 1 2 207.233 0.613 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000335116237 354706523 /nfs/dbraw/zinc/70/65/23/354706523.db2.gz LSHXOPFEFNEZHW-AOOOYVTPSA-N 1 2 212.293 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000335116237 354706527 /nfs/dbraw/zinc/70/65/27/354706527.db2.gz LSHXOPFEFNEZHW-AOOOYVTPSA-N 1 2 212.293 0.269 20 0 BCADLO COCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345628057 354718016 /nfs/dbraw/zinc/71/80/16/354718016.db2.gz MCRQAAPUKTYBBF-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345493578 354679390 /nfs/dbraw/zinc/67/93/90/354679390.db2.gz IPOFBKXRYRTMMD-JTQLQIEISA-N 1 2 244.335 0.200 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345493578 354679393 /nfs/dbraw/zinc/67/93/93/354679393.db2.gz IPOFBKXRYRTMMD-JTQLQIEISA-N 1 2 244.335 0.200 20 0 BCADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1F ZINC000335121817 354760179 /nfs/dbraw/zinc/76/01/79/354760179.db2.gz MHZAOWQVTSXMNN-KOLCDFICSA-N 1 2 223.251 0.973 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000234553698 363423596 /nfs/dbraw/zinc/42/35/96/363423596.db2.gz FFLKCHJTMJSBLH-ZJUUUORDSA-N 1 2 215.293 0.545 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000234545558 363424200 /nfs/dbraw/zinc/42/42/00/363424200.db2.gz GHEMZGYJWWJPEK-FXBDTBDDSA-N 1 2 213.277 0.705 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)CO)C1CC1 ZINC000234584032 363424729 /nfs/dbraw/zinc/42/47/29/363424729.db2.gz WTYCUTWDRMZGDT-QXFUBDJGSA-N 1 2 215.293 0.545 20 0 BCADLO Cn1[nH]c(C[N@@H+]2C[C@H]3CCC[C@@H]32)nc1=O ZINC000335143961 354850489 /nfs/dbraw/zinc/85/04/89/354850489.db2.gz UVWKWKGRVXJOTI-SFYZADRCSA-N 1 2 208.265 0.093 20 0 BCADLO Cn1[nH]c(C[N@H+]2C[C@H]3CCC[C@@H]32)nc1=O ZINC000335143961 354850492 /nfs/dbraw/zinc/85/04/92/354850492.db2.gz UVWKWKGRVXJOTI-SFYZADRCSA-N 1 2 208.265 0.093 20 0 BCADLO CCOC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233733426 363407685 /nfs/dbraw/zinc/40/76/85/363407685.db2.gz PBBJBQGJDLCFQC-WPRPVWTQSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnnc(C)c1 ZINC000346076910 354859211 /nfs/dbraw/zinc/85/92/11/354859211.db2.gz PDQWRROUBRWZNR-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CCC[C@@](C)([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000346387723 354906864 /nfs/dbraw/zinc/90/68/64/354906864.db2.gz SDALCFMEBLADQE-GFCCVEGCSA-N 1 2 244.335 0.786 20 0 BCADLO Cn1cc(CCOCc2[nH]cc[nH+]2)cn1 ZINC000346621152 354995678 /nfs/dbraw/zinc/99/56/78/354995678.db2.gz RCRHTOYPBYCUTM-UHFFFAOYSA-N 1 2 206.249 0.903 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000346655916 355003935 /nfs/dbraw/zinc/00/39/35/355003935.db2.gz KCWHUGGLWRZMSA-JGVFFNPUSA-N 1 2 209.249 0.454 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ncnn2C)[C@@H]1C ZINC000346678329 355010145 /nfs/dbraw/zinc/01/01/45/355010145.db2.gz YMYJFWSJXOCIAU-BDAKNGLRSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncnn2C)[C@@H]1C ZINC000346678329 355010147 /nfs/dbraw/zinc/01/01/47/355010147.db2.gz YMYJFWSJXOCIAU-BDAKNGLRSA-N 1 2 238.291 0.199 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366953153 355017181 /nfs/dbraw/zinc/01/71/81/355017181.db2.gz SDMDTLBIOBAURY-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366953153 355017183 /nfs/dbraw/zinc/01/71/83/355017183.db2.gz SDMDTLBIOBAURY-VHSXEESVSA-N 1 2 237.307 0.354 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC000346691684 355074751 /nfs/dbraw/zinc/07/47/51/355074751.db2.gz WXXYETYYFRCNRY-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC000346691684 355074755 /nfs/dbraw/zinc/07/47/55/355074755.db2.gz WXXYETYYFRCNRY-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO Cn1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000335183792 355081760 /nfs/dbraw/zinc/08/17/60/355081760.db2.gz IVCGINNLFQDFPJ-NWDGAFQWSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000335183792 355081764 /nfs/dbraw/zinc/08/17/64/355081764.db2.gz IVCGINNLFQDFPJ-NWDGAFQWSA-N 1 2 249.314 0.180 20 0 BCADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000346860670 355118250 /nfs/dbraw/zinc/11/82/50/355118250.db2.gz XYXQVTYIGFFLQX-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000346860670 355118255 /nfs/dbraw/zinc/11/82/55/355118255.db2.gz XYXQVTYIGFFLQX-VHSXEESVSA-N 1 2 224.308 0.987 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000346839947 355133463 /nfs/dbraw/zinc/13/34/63/355133463.db2.gz JMMKNAHIHOYTJO-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000346839947 355133466 /nfs/dbraw/zinc/13/34/66/355133466.db2.gz JMMKNAHIHOYTJO-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)CO ZINC000346848255 355136899 /nfs/dbraw/zinc/13/68/99/355136899.db2.gz PZWRNCUOMYQEGT-SFYZADRCSA-N 1 2 225.292 0.394 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@H](C)CO ZINC000346848255 355136902 /nfs/dbraw/zinc/13/69/02/355136902.db2.gz PZWRNCUOMYQEGT-SFYZADRCSA-N 1 2 225.292 0.394 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1 ZINC000639232043 355213799 /nfs/dbraw/zinc/21/37/99/355213799.db2.gz ZEOJJBAXAXYDAV-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1 ZINC000639232043 355213803 /nfs/dbraw/zinc/21/38/03/355213803.db2.gz ZEOJJBAXAXYDAV-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC[C@@H]2CCO2)C1 ZINC000639233755 355216451 /nfs/dbraw/zinc/21/64/51/355216451.db2.gz RKGIVAJHKDVPPV-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO Cn1ccnc1C[N@H+](CCCO)C1CC1 ZINC000389585758 355216520 /nfs/dbraw/zinc/21/65/20/355216520.db2.gz VBDRYCLJCOIBFI-UHFFFAOYSA-N 1 2 209.293 0.767 20 0 BCADLO Cn1ccnc1C[N@@H+](CCCO)C1CC1 ZINC000389585758 355216522 /nfs/dbraw/zinc/21/65/22/355216522.db2.gz VBDRYCLJCOIBFI-UHFFFAOYSA-N 1 2 209.293 0.767 20 0 BCADLO CCN1CCC[N@H+](Cc2cnc(C)cn2)CC1=O ZINC000347004456 355202002 /nfs/dbraw/zinc/20/20/02/355202002.db2.gz OBFZEUSGTXRAOY-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCN1CCC[N@@H+](Cc2cnc(C)cn2)CC1=O ZINC000347004456 355202004 /nfs/dbraw/zinc/20/20/04/355202004.db2.gz OBFZEUSGTXRAOY-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@H](O)C1)c1nccs1 ZINC000113502839 355240778 /nfs/dbraw/zinc/24/07/78/355240778.db2.gz HIYPILIIVGCAEV-QMMMGPOBSA-N 1 2 241.316 0.173 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@H](O)C1)c1nccs1 ZINC000113502839 355240782 /nfs/dbraw/zinc/24/07/82/355240782.db2.gz HIYPILIIVGCAEV-QMMMGPOBSA-N 1 2 241.316 0.173 20 0 BCADLO CN1CC[N@H+](CCCS(C)(=O)=O)C(C)(C)C1 ZINC000347591231 355249498 /nfs/dbraw/zinc/24/94/98/355249498.db2.gz MEIUSQGFWHQQDE-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CN1CC[N@@H+](CCCS(C)(=O)=O)C(C)(C)C1 ZINC000347591231 355249500 /nfs/dbraw/zinc/24/95/00/355249500.db2.gz MEIUSQGFWHQQDE-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO OCCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413027388 191348671 /nfs/dbraw/zinc/34/86/71/191348671.db2.gz YPVHCSUDYSNZOT-UHFFFAOYSA-N 1 2 238.291 0.472 20 0 BCADLO OCCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413027388 191348674 /nfs/dbraw/zinc/34/86/74/191348674.db2.gz YPVHCSUDYSNZOT-UHFFFAOYSA-N 1 2 238.291 0.472 20 0 BCADLO CC[C@@](C)(C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244791 355249126 /nfs/dbraw/zinc/24/91/26/355249126.db2.gz QUFCYUGEEUNCGZ-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413041845 191350364 /nfs/dbraw/zinc/35/03/64/191350364.db2.gz LJVBMXRXMJDMHR-ZETCQYMHSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413041845 191350366 /nfs/dbraw/zinc/35/03/66/191350366.db2.gz LJVBMXRXMJDMHR-ZETCQYMHSA-N 1 2 208.265 0.844 20 0 BCADLO CC(=O)NCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413029190 191352880 /nfs/dbraw/zinc/35/28/80/191352880.db2.gz RJWCLJPMTJXQKN-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO CC(=O)NCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413029190 191352882 /nfs/dbraw/zinc/35/28/82/191352882.db2.gz RJWCLJPMTJXQKN-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000413453359 191385217 /nfs/dbraw/zinc/38/52/17/191385217.db2.gz OZXICBHCEDGLOS-PRHODGIISA-N 1 2 233.271 0.205 20 0 BCADLO Cc1nc(N2CCO[C@@H](CF)C2)cc[nH+]1 ZINC000413478729 191386895 /nfs/dbraw/zinc/38/68/95/191386895.db2.gz RVWSFJXFHAFEOR-VIFPVBQESA-N 1 2 211.240 0.960 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000413491998 191389481 /nfs/dbraw/zinc/38/94/81/191389481.db2.gz IRBCLJMKSVFWRV-VHSXEESVSA-N 1 2 225.292 0.719 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)CCOC)CCO1 ZINC000347596845 355251163 /nfs/dbraw/zinc/25/11/63/355251163.db2.gz BXZCVRZQBCWVCO-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCOC)CCO1 ZINC000347596845 355251164 /nfs/dbraw/zinc/25/11/64/355251164.db2.gz BXZCVRZQBCWVCO-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCCO)[C@@H]1CCCOC1 ZINC000347603555 355254215 /nfs/dbraw/zinc/25/42/15/355254215.db2.gz DKKGJJALQCVBNE-GHMZBOCLSA-N 1 2 245.319 0.317 20 0 BCADLO C[C@](O)(CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413260365 191367248 /nfs/dbraw/zinc/36/72/48/191367248.db2.gz DXDMJRCDCQDFNZ-LLVKDONJSA-N 1 2 238.291 0.206 20 0 BCADLO C[C@](O)(CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413260365 191367250 /nfs/dbraw/zinc/36/72/50/191367250.db2.gz DXDMJRCDCQDFNZ-LLVKDONJSA-N 1 2 238.291 0.206 20 0 BCADLO C[C@H](O)CNc1cc(N2CC[C@@H](F)C2)nc[nH+]1 ZINC000413322848 191372889 /nfs/dbraw/zinc/37/28/89/191372889.db2.gz HOKXEMZRNINZHY-DTWKUNHWSA-N 1 2 240.282 0.818 20 0 BCADLO C[C@H](O)CNc1cc(N2CC[C@@H](F)C2)[nH+]cn1 ZINC000413322848 191372892 /nfs/dbraw/zinc/37/28/92/191372892.db2.gz HOKXEMZRNINZHY-DTWKUNHWSA-N 1 2 240.282 0.818 20 0 BCADLO CC1(O)CN(Cc2c[nH+]c3ccccn23)C1 ZINC000639253642 355291719 /nfs/dbraw/zinc/29/17/19/355291719.db2.gz DRURBXGSLNAETE-UHFFFAOYSA-N 1 2 217.272 0.901 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C)CCC1(F)F ZINC000352019843 134037071 /nfs/dbraw/zinc/03/70/71/134037071.db2.gz WGYQNAXCGYNVCP-ZETCQYMHSA-N 1 2 231.250 0.687 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C)CCC1(F)F ZINC000352019843 134037072 /nfs/dbraw/zinc/03/70/72/134037072.db2.gz WGYQNAXCGYNVCP-ZETCQYMHSA-N 1 2 231.250 0.687 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC(=O)N1CCCC1 ZINC000335757684 355393529 /nfs/dbraw/zinc/39/35/29/355393529.db2.gz JKIFYDJOSGJCFB-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC(=O)N1CCCC1 ZINC000335757684 355393532 /nfs/dbraw/zinc/39/35/32/355393532.db2.gz JKIFYDJOSGJCFB-NWDGAFQWSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757686 355393412 /nfs/dbraw/zinc/39/34/12/355393412.db2.gz JKIFYDJOSGJCFB-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757686 355393413 /nfs/dbraw/zinc/39/34/13/355393413.db2.gz JKIFYDJOSGJCFB-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000349680960 355409826 /nfs/dbraw/zinc/40/98/26/355409826.db2.gz TURGEAXTMIBKNS-GHMZBOCLSA-N 1 2 241.335 0.416 20 0 BCADLO Cc1c[nH]cc(C(=O)NCc2[nH]cc[nH+]2)c1=O ZINC000349746826 355422171 /nfs/dbraw/zinc/42/21/71/355422171.db2.gz RGOYOAWANJRNJT-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO C[C@@H](CC(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC000608392828 355424411 /nfs/dbraw/zinc/42/44/11/355424411.db2.gz XECDPNAZANNFAH-VIFPVBQESA-N 1 2 238.291 0.043 20 0 BCADLO CCN1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1=O ZINC000335809528 355483311 /nfs/dbraw/zinc/48/33/11/355483311.db2.gz HWAKZEASSYZVAU-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CCOc1cccc(C[N@H+](C)CC(N)=O)n1 ZINC000349871203 355514067 /nfs/dbraw/zinc/51/40/67/355514067.db2.gz DPUNLUOOUCZPPJ-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CCOc1cccc(C[N@@H+](C)CC(N)=O)n1 ZINC000349871203 355514071 /nfs/dbraw/zinc/51/40/71/355514071.db2.gz DPUNLUOOUCZPPJ-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)CCOC(C)C ZINC000349873967 355515022 /nfs/dbraw/zinc/51/50/22/355515022.db2.gz FIMOPVJFVISDHH-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)CCOC(C)C ZINC000349873967 355515026 /nfs/dbraw/zinc/51/50/26/355515026.db2.gz FIMOPVJFVISDHH-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO O=C(NCCO)Nc1ccn2cc[nH+]c2c1 ZINC000335851986 355591455 /nfs/dbraw/zinc/59/14/55/355591455.db2.gz HEOPMCRVWNBBSD-UHFFFAOYSA-N 1 2 220.232 0.448 20 0 BCADLO NC(=O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000330386562 181200994 /nfs/dbraw/zinc/20/09/94/181200994.db2.gz AIQREWPQDKSOPH-VIFPVBQESA-N 1 2 248.286 0.702 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000335836046 355563696 /nfs/dbraw/zinc/56/36/96/355563696.db2.gz DCAJDRSXZZNPBK-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000335836046 355563699 /nfs/dbraw/zinc/56/36/99/355563699.db2.gz DCAJDRSXZZNPBK-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CO[C@H](C(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000350017573 355575813 /nfs/dbraw/zinc/57/58/13/355575813.db2.gz KAIUJXVHYMULRT-NSHDSACASA-N 1 2 244.335 0.106 20 0 BCADLO CO[C@@H](C(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000350017571 355576063 /nfs/dbraw/zinc/57/60/63/355576063.db2.gz KAIUJXVHYMULRT-LLVKDONJSA-N 1 2 244.335 0.106 20 0 BCADLO CO[C@]1(C[N@H+](C)Cc2nc(C)no2)CCOC1 ZINC000639302056 355645394 /nfs/dbraw/zinc/64/53/94/355645394.db2.gz KAHGQXXOPRTHNX-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@]1(C[N@@H+](C)Cc2nc(C)no2)CCOC1 ZINC000639302056 355645396 /nfs/dbraw/zinc/64/53/96/355645396.db2.gz KAHGQXXOPRTHNX-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000330490407 181203519 /nfs/dbraw/zinc/20/35/19/181203519.db2.gz MECUGKGJIXOVAY-VIFPVBQESA-N 1 2 241.316 0.922 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000330490407 181203521 /nfs/dbraw/zinc/20/35/21/181203521.db2.gz MECUGKGJIXOVAY-VIFPVBQESA-N 1 2 241.316 0.922 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000350475181 355711368 /nfs/dbraw/zinc/71/13/68/355711368.db2.gz CUVLQRIPCVHJFF-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCn1ccnc1 ZINC000623245296 355716758 /nfs/dbraw/zinc/71/67/58/355716758.db2.gz IGHXYPSEAPHCFV-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO O=C(CCCn1ccnc1)NCCn1cc[nH+]c1 ZINC000623245296 355716761 /nfs/dbraw/zinc/71/67/61/355716761.db2.gz IGHXYPSEAPHCFV-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO COc1cc(C[NH2+]Cc2ccnn2C)on1 ZINC000639323781 355717375 /nfs/dbraw/zinc/71/73/75/355717375.db2.gz BFUGKYSRVBNLPP-UHFFFAOYSA-N 1 2 222.248 0.707 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335884473 355675156 /nfs/dbraw/zinc/67/51/56/355675156.db2.gz LGXOJEAMKYGRDY-QMMMGPOBSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335884473 355675160 /nfs/dbraw/zinc/67/51/60/355675160.db2.gz LGXOJEAMKYGRDY-QMMMGPOBSA-N 1 2 237.303 0.717 20 0 BCADLO O=C(NCC[NH+]1CCC1)C(=O)c1ccccc1 ZINC000350657030 355738312 /nfs/dbraw/zinc/73/83/12/355738312.db2.gz NSGIDWUEKFCSPX-UHFFFAOYSA-N 1 2 232.283 0.691 20 0 BCADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CO)ccn1 ZINC000639334677 355765352 /nfs/dbraw/zinc/76/53/52/355765352.db2.gz UMPFXIPNAVCNOE-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)ccn1 ZINC000639334677 355765353 /nfs/dbraw/zinc/76/53/53/355765353.db2.gz UMPFXIPNAVCNOE-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO CO[C@]1(C[N@@H+]2Cc3cnn(C)c3C2)CCOC1 ZINC000639322463 355723687 /nfs/dbraw/zinc/72/36/87/355723687.db2.gz PONDCYYBSLSNPL-LBPRGKRZSA-N 1 2 237.303 0.541 20 0 BCADLO CO[C@]1(C[N@H+]2Cc3cnn(C)c3C2)CCOC1 ZINC000639322463 355723689 /nfs/dbraw/zinc/72/36/89/355723689.db2.gz PONDCYYBSLSNPL-LBPRGKRZSA-N 1 2 237.303 0.541 20 0 BCADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC1 ZINC000336015466 134053144 /nfs/dbraw/zinc/05/31/44/134053144.db2.gz QMJRLFOOFXLEAE-ZYHUDNBSSA-N 1 2 238.331 0.718 20 0 BCADLO COc1cc(C[NH2+]Cc2cc[nH]n2)on1 ZINC000639326535 355731643 /nfs/dbraw/zinc/73/16/43/355731643.db2.gz YWHBCHQOIDZOMO-UHFFFAOYSA-N 1 2 208.221 0.696 20 0 BCADLO c1[nH]nnc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000639342341 355785032 /nfs/dbraw/zinc/78/50/32/355785032.db2.gz VEXLWIBUKFFERR-AXFHLTTASA-N 1 2 234.303 0.852 20 0 BCADLO c1n[nH]nc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000639342341 355785033 /nfs/dbraw/zinc/78/50/33/355785033.db2.gz VEXLWIBUKFFERR-AXFHLTTASA-N 1 2 234.303 0.852 20 0 BCADLO COCc1cc(C[NH2+][C@@](C)(CO)COC)no1 ZINC000639362362 355817480 /nfs/dbraw/zinc/81/74/80/355817480.db2.gz IVOIPVRFTFMUSD-NSHDSACASA-N 1 2 244.291 0.308 20 0 BCADLO CCO[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623254259 355852884 /nfs/dbraw/zinc/85/28/84/355852884.db2.gz SHYWZAQHMZXAQN-CMPLNLGQSA-N 1 2 249.314 0.739 20 0 BCADLO CCc1nocc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255153 355856831 /nfs/dbraw/zinc/85/68/31/355856831.db2.gz QDBXWXQUADDGKH-QMMMGPOBSA-N 1 2 246.270 0.788 20 0 BCADLO C[N@H+](Cc1ccncc1F)[C@]1(CO)CCOC1 ZINC000628367499 355862777 /nfs/dbraw/zinc/86/27/77/355862777.db2.gz BKMXIRPJUINDEQ-LBPRGKRZSA-N 1 2 240.278 0.804 20 0 BCADLO C[N@@H+](Cc1ccncc1F)[C@]1(CO)CCOC1 ZINC000628367499 355862778 /nfs/dbraw/zinc/86/27/78/355862778.db2.gz BKMXIRPJUINDEQ-LBPRGKRZSA-N 1 2 240.278 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368895 355865447 /nfs/dbraw/zinc/86/54/47/355865447.db2.gz FIGFZUAGTYHQCA-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368895 355865449 /nfs/dbraw/zinc/86/54/49/355865449.db2.gz FIGFZUAGTYHQCA-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000631252984 355873303 /nfs/dbraw/zinc/87/33/03/355873303.db2.gz CAROOELVGBRSSX-LLVKDONJSA-N 1 2 235.287 0.665 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000347748756 535292114 /nfs/dbraw/zinc/29/21/14/535292114.db2.gz FOSTWGSHWCKFKP-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000347748756 535292118 /nfs/dbraw/zinc/29/21/18/535292118.db2.gz FOSTWGSHWCKFKP-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO COc1nccnc1C[NH2+]C1(C)COC1 ZINC000639380228 355916048 /nfs/dbraw/zinc/91/60/48/355916048.db2.gz CELSYPQNUGXKCQ-UHFFFAOYSA-N 1 2 209.249 0.364 20 0 BCADLO CCc1cc(N2CCS(=O)CC2)nc[nH+]1 ZINC000609585824 355925383 /nfs/dbraw/zinc/92/53/83/355925383.db2.gz POKAUJKPZWHJGC-UHFFFAOYSA-N 1 2 225.317 0.608 20 0 BCADLO CCC(=O)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256876 355983703 /nfs/dbraw/zinc/98/37/03/355983703.db2.gz YUGHPSQYCCBMKV-VIFPVBQESA-N 1 2 247.298 0.683 20 0 BCADLO COCCc1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000351445503 355993498 /nfs/dbraw/zinc/99/34/98/355993498.db2.gz QJBVXXHVPRVKJQ-SECBINFHSA-N 1 2 241.291 0.215 20 0 BCADLO COCCc1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000351445503 355993502 /nfs/dbraw/zinc/99/35/02/355993502.db2.gz QJBVXXHVPRVKJQ-SECBINFHSA-N 1 2 241.291 0.215 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000351522358 356007821 /nfs/dbraw/zinc/00/78/21/356007821.db2.gz XMNHFSLOMXWGOW-XVKPBYJWSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@](C)(O)C2)no1 ZINC000351522358 356007823 /nfs/dbraw/zinc/00/78/23/356007823.db2.gz XMNHFSLOMXWGOW-XVKPBYJWSA-N 1 2 211.265 0.896 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352108442 134067916 /nfs/dbraw/zinc/06/79/16/134067916.db2.gz YFRAJWYUBSHKRU-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352108442 134067917 /nfs/dbraw/zinc/06/79/17/134067917.db2.gz YFRAJWYUBSHKRU-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO c1cc(CC[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000351617268 356030997 /nfs/dbraw/zinc/03/09/97/356030997.db2.gz BRQUYLGQMPRYKZ-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO c1cc(CC[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000351617268 356031000 /nfs/dbraw/zinc/03/10/00/356031000.db2.gz BRQUYLGQMPRYKZ-UHFFFAOYSA-N 1 2 229.287 0.801 20 0 BCADLO CO[C@](C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258234 356065241 /nfs/dbraw/zinc/06/52/41/356065241.db2.gz LEOIFZGUXVZNRC-GWCFXTLKSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@]1(C)C[N@H+](Cc2cnnn2C)CCO1 ZINC000351632594 356036717 /nfs/dbraw/zinc/03/67/17/356036717.db2.gz XEBIKHYYEIDUGX-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@]1(C)C[N@@H+](Cc2cnnn2C)CCO1 ZINC000351632594 356036721 /nfs/dbraw/zinc/03/67/21/356036721.db2.gz XEBIKHYYEIDUGX-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1C ZINC000351632141 356036769 /nfs/dbraw/zinc/03/67/69/356036769.db2.gz WBPURXQJVDJORY-VXNVDRBHSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1C ZINC000351632141 356036773 /nfs/dbraw/zinc/03/67/73/356036773.db2.gz WBPURXQJVDJORY-VXNVDRBHSA-N 1 2 239.275 0.761 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257440 356038020 /nfs/dbraw/zinc/03/80/20/356038020.db2.gz KCIZFAUJRPVSMK-WCBMZHEXSA-N 1 2 223.276 0.085 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258209 356065322 /nfs/dbraw/zinc/06/53/22/356065322.db2.gz KLSREGYMLHKOCE-BXKDBHETSA-N 1 2 235.287 0.085 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000351647705 356044379 /nfs/dbraw/zinc/04/43/79/356044379.db2.gz JMQUAFYOTJWXNV-NRPADANISA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000351647705 356044383 /nfs/dbraw/zinc/04/43/83/356044383.db2.gz JMQUAFYOTJWXNV-NRPADANISA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCN(C)C2=O)[nH+]1 ZINC000351544827 356012730 /nfs/dbraw/zinc/01/27/30/356012730.db2.gz NISBTBBCYHUYNM-SECBINFHSA-N 1 2 245.286 0.909 20 0 BCADLO NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180267333 181229221 /nfs/dbraw/zinc/22/92/21/181229221.db2.gz ZMTMUXNZSKNYEY-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180267333 181229222 /nfs/dbraw/zinc/22/92/22/181229222.db2.gz ZMTMUXNZSKNYEY-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285470652 181230970 /nfs/dbraw/zinc/23/09/70/181230970.db2.gz UYEZQWKFJCAQAM-VIFPVBQESA-N 1 2 208.265 0.422 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285470652 181230971 /nfs/dbraw/zinc/23/09/71/181230971.db2.gz UYEZQWKFJCAQAM-VIFPVBQESA-N 1 2 208.265 0.422 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201948 181231769 /nfs/dbraw/zinc/23/17/69/181231769.db2.gz PZPHKRCTSYTNPN-HTRCEHHLSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201948 181231771 /nfs/dbraw/zinc/23/17/71/181231771.db2.gz PZPHKRCTSYTNPN-HTRCEHHLSA-N 1 2 240.225 0.249 20 0 BCADLO Cc1ccn(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623257621 356027196 /nfs/dbraw/zinc/02/71/96/356027196.db2.gz PVIBMJBDEVAUPG-SNVBAGLBSA-N 1 2 245.286 0.129 20 0 BCADLO NC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000074448164 181233626 /nfs/dbraw/zinc/23/36/26/181233626.db2.gz FRMYJOSWIGANNV-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO NC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000074448164 181233628 /nfs/dbraw/zinc/23/36/28/181233628.db2.gz FRMYJOSWIGANNV-UHFFFAOYSA-N 1 2 208.236 0.669 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC1(F)F ZINC000623257884 356029947 /nfs/dbraw/zinc/02/99/47/356029947.db2.gz YHFWLYLTNGNDLQ-SVRRBLITSA-N 1 2 227.214 0.579 20 0 BCADLO C[C@@H]1COCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260416 356118733 /nfs/dbraw/zinc/11/87/33/356118733.db2.gz CRLVVIALNHUCHM-JFGNBEQYSA-N 1 2 249.314 0.597 20 0 BCADLO COCCN1CC[N@H+](CCCCF)CC1=O ZINC000351720036 356070477 /nfs/dbraw/zinc/07/04/77/356070477.db2.gz OBEDJZORUGGVAZ-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COCCN1CC[N@@H+](CCCCF)CC1=O ZINC000351720036 356070481 /nfs/dbraw/zinc/07/04/81/356070481.db2.gz OBEDJZORUGGVAZ-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COC(C)(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259688 356089436 /nfs/dbraw/zinc/08/94/36/356089436.db2.gz IJFZFGUFULUKEK-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO CC(C)(O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259906 356092580 /nfs/dbraw/zinc/09/25/80/356092580.db2.gz NVNSOHSATGBYDC-MRVPVSSYSA-N 1 2 223.276 0.085 20 0 BCADLO CC1(C)CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623260270 356096896 /nfs/dbraw/zinc/09/68/96/356096896.db2.gz ZVYASUZWLDNASI-GXSJLCMTSA-N 1 2 249.314 0.882 20 0 BCADLO CCn1ccnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260178 356097263 /nfs/dbraw/zinc/09/72/63/356097263.db2.gz XIJCQJSVMFHUJL-SECBINFHSA-N 1 2 245.286 0.454 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cncc(O)c1 ZINC000623260121 356097323 /nfs/dbraw/zinc/09/73/23/356097323.db2.gz VFAYFFTXDIQMOB-SECBINFHSA-N 1 2 244.254 0.338 20 0 BCADLO CCc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261860 356161092 /nfs/dbraw/zinc/16/10/92/356161092.db2.gz FBRQDFSUGOHARD-QMMMGPOBSA-N 1 2 246.270 0.788 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCOC1 ZINC000623262259 356164176 /nfs/dbraw/zinc/16/41/76/356164176.db2.gz VGMOQOVKICVHFS-BXKDBHETSA-N 1 2 235.287 0.351 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000335919666 356166709 /nfs/dbraw/zinc/16/67/09/356166709.db2.gz HSNPGOUXMHBHRW-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO NC(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000301393221 181258285 /nfs/dbraw/zinc/25/82/85/181258285.db2.gz IZULHMBAFASZJG-UHFFFAOYSA-N 1 2 221.264 0.434 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262747 356171749 /nfs/dbraw/zinc/17/17/49/356171749.db2.gz NPUDRQKKIOQHNV-IQJOONFLSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262746 356171864 /nfs/dbraw/zinc/17/18/64/356171864.db2.gz NPUDRQKKIOQHNV-ATZCPNFKSA-N 1 2 235.287 0.349 20 0 BCADLO CC(C)(C)OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262833 356172791 /nfs/dbraw/zinc/17/27/91/356172791.db2.gz RHNAPNCELQRXKX-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094491 134079678 /nfs/dbraw/zinc/07/96/78/134079678.db2.gz HERXXGSBULAKMW-YUMQZZPRSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094491 134079679 /nfs/dbraw/zinc/07/96/79/134079679.db2.gz HERXXGSBULAKMW-YUMQZZPRSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336094491 134079680 /nfs/dbraw/zinc/07/96/80/134079680.db2.gz HERXXGSBULAKMW-YUMQZZPRSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336094491 134079681 /nfs/dbraw/zinc/07/96/81/134079681.db2.gz HERXXGSBULAKMW-YUMQZZPRSA-N 1 2 208.265 0.455 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@H]1CO ZINC000639399723 356131389 /nfs/dbraw/zinc/13/13/89/356131389.db2.gz ZFGOJIMJQPAINI-SECBINFHSA-N 1 2 227.333 0.628 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@H]1CO ZINC000639399723 356131391 /nfs/dbraw/zinc/13/13/91/356131391.db2.gz ZFGOJIMJQPAINI-SECBINFHSA-N 1 2 227.333 0.628 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCSC[C@H]1CO ZINC000639399723 356131394 /nfs/dbraw/zinc/13/13/94/356131394.db2.gz ZFGOJIMJQPAINI-SECBINFHSA-N 1 2 227.333 0.628 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCSC[C@H]1CO ZINC000639399723 356131397 /nfs/dbraw/zinc/13/13/97/356131397.db2.gz ZFGOJIMJQPAINI-SECBINFHSA-N 1 2 227.333 0.628 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCn3ncnc3C2)n1 ZINC000329918105 356144113 /nfs/dbraw/zinc/14/41/13/356144113.db2.gz FSLIVSGCLYLFQA-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCn3ncnc3C2)n1 ZINC000329918105 356144118 /nfs/dbraw/zinc/14/41/18/356144118.db2.gz FSLIVSGCLYLFQA-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO CCN1CC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330345110 356218389 /nfs/dbraw/zinc/21/83/89/356218389.db2.gz DSYCFWHIQXQBKE-SECBINFHSA-N 1 2 248.286 0.482 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623264041 356228590 /nfs/dbraw/zinc/22/85/90/356228590.db2.gz DARMRTGWDCKMOR-PSASIEDQSA-N 1 2 219.288 0.970 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623264662 356236502 /nfs/dbraw/zinc/23/65/02/356236502.db2.gz QAZLESMSSIQZRD-IUCAKERBSA-N 1 2 237.328 0.677 20 0 BCADLO NC(=O)N[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270711531 181260501 /nfs/dbraw/zinc/26/05/01/181260501.db2.gz LJHASSXZAMNJNZ-MRVPVSSYSA-N 1 2 245.286 0.810 20 0 BCADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000623264522 356236425 /nfs/dbraw/zinc/23/64/25/356236425.db2.gz NJMWODXJYCNSJJ-JOYOIKCWSA-N 1 2 235.287 0.493 20 0 BCADLO CC[C@@H](C)OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263200 356197997 /nfs/dbraw/zinc/19/79/97/356197997.db2.gz FSIAIYJGOZXYTE-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCCO1 ZINC000623263668 356201783 /nfs/dbraw/zinc/20/17/83/356201783.db2.gz TXGJSTGLSNVSNM-GXSJLCMTSA-N 1 2 235.287 0.493 20 0 BCADLO CCn1c[nH+]cc1[C@@H]1NC(=O)CN1CC ZINC000639422218 356205666 /nfs/dbraw/zinc/20/56/66/356205666.db2.gz WXVDKAXKGWKSIU-SNVBAGLBSA-N 1 2 208.265 0.353 20 0 BCADLO CCN1C(=O)C(C)(C)N[C@@H]1c1c[nH]c[nH+]1 ZINC000639427665 356209029 /nfs/dbraw/zinc/20/90/29/356209029.db2.gz OKQHHMKBXWNPIO-QMMMGPOBSA-N 1 2 208.265 0.639 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCc2ncnn21 ZINC000639496255 356322375 /nfs/dbraw/zinc/32/23/75/356322375.db2.gz UFMZWYFCMDTREJ-JTQLQIEISA-N 1 2 233.275 0.885 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1CCc2ncnn21 ZINC000639496255 356322377 /nfs/dbraw/zinc/32/23/77/356322377.db2.gz UFMZWYFCMDTREJ-JTQLQIEISA-N 1 2 233.275 0.885 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H]1CCc2ncnn21 ZINC000639496259 356322432 /nfs/dbraw/zinc/32/24/32/356322432.db2.gz UFMZWYFCMDTREJ-SNVBAGLBSA-N 1 2 233.275 0.885 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H]1CCc2ncnn21 ZINC000639496259 356322433 /nfs/dbraw/zinc/32/24/33/356322433.db2.gz UFMZWYFCMDTREJ-SNVBAGLBSA-N 1 2 233.275 0.885 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2CC2)[C@@H](C)CO1 ZINC000617745014 356306460 /nfs/dbraw/zinc/30/64/60/356306460.db2.gz DVTJBFJDVYESSM-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2CC2)[C@@H](C)CO1 ZINC000617745014 356306463 /nfs/dbraw/zinc/30/64/63/356306463.db2.gz DVTJBFJDVYESSM-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000162108080 181267548 /nfs/dbraw/zinc/26/75/48/181267548.db2.gz ZAPVKIHKRSYDJB-VIFPVBQESA-N 1 2 208.265 0.250 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000162108080 181267549 /nfs/dbraw/zinc/26/75/49/181267549.db2.gz ZAPVKIHKRSYDJB-VIFPVBQESA-N 1 2 208.265 0.250 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1nnc[nH]1 ZINC000639515133 356356242 /nfs/dbraw/zinc/35/62/42/356356242.db2.gz QGICAEUCLSEVLK-DTWKUNHWSA-N 1 2 210.281 0.662 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+](C)Cc1nnc[nH]1 ZINC000639515133 356356243 /nfs/dbraw/zinc/35/62/43/356356243.db2.gz QGICAEUCLSEVLK-DTWKUNHWSA-N 1 2 210.281 0.662 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000336131042 134094530 /nfs/dbraw/zinc/09/45/30/134094530.db2.gz CCPRQBGYCQCRDV-QMMMGPOBSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2C)[nH]1 ZINC000336131042 134094531 /nfs/dbraw/zinc/09/45/31/134094531.db2.gz CCPRQBGYCQCRDV-QMMMGPOBSA-N 1 2 222.292 0.494 20 0 BCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(C)=O)CC2 ZINC000639504038 356330365 /nfs/dbraw/zinc/33/03/65/356330365.db2.gz PHRPZJWVYAWJTP-UHFFFAOYSA-N 1 2 235.287 0.210 20 0 BCADLO CCn1nc2c(cc1=O)C[N@H+](CC(C)=O)CC2 ZINC000639504038 356330367 /nfs/dbraw/zinc/33/03/67/356330367.db2.gz PHRPZJWVYAWJTP-UHFFFAOYSA-N 1 2 235.287 0.210 20 0 BCADLO CC(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000639525509 356372622 /nfs/dbraw/zinc/37/26/22/356372622.db2.gz YQMZSEGCNRWAQN-GFCCVEGCSA-N 1 2 220.272 0.566 20 0 BCADLO CC(C)OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271032 356385888 /nfs/dbraw/zinc/38/58/88/356385888.db2.gz RAOYFGZLCZZCOD-VIFPVBQESA-N 1 2 223.276 0.349 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCN(C2CCC2)C1=O ZINC000639535764 356388041 /nfs/dbraw/zinc/38/80/41/356388041.db2.gz MDRAGNOIGGWYKS-LBPRGKRZSA-N 1 2 248.330 0.995 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCN(C2CCC2)C1=O ZINC000639535764 356388044 /nfs/dbraw/zinc/38/80/44/356388044.db2.gz MDRAGNOIGGWYKS-LBPRGKRZSA-N 1 2 248.330 0.995 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnns1 ZINC000623271616 356389604 /nfs/dbraw/zinc/38/96/04/356389604.db2.gz DENOQBJXTWEVTE-ZCFIWIBFSA-N 1 2 235.272 0.089 20 0 BCADLO COCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269451 356370436 /nfs/dbraw/zinc/37/04/36/356370436.db2.gz KBSJSOIFKNFRBY-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623276599 356417199 /nfs/dbraw/zinc/41/71/99/356417199.db2.gz FWEISESQBAAILK-NSHDSACASA-N 1 2 242.282 0.941 20 0 BCADLO C[C@@H]([NH3+])CCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000420411348 192239589 /nfs/dbraw/zinc/23/95/89/192239589.db2.gz BSAOHWOXBNBZNE-RITPCOANSA-N 1 2 248.270 0.594 20 0 BCADLO Cc1nnsc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278910 356427806 /nfs/dbraw/zinc/42/78/06/356427806.db2.gz HCADJYALARDMTG-ZETCQYMHSA-N 1 2 249.299 0.398 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639551211 356432670 /nfs/dbraw/zinc/43/26/70/356432670.db2.gz HYCZIPZZLBEDHU-WCBMZHEXSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639551211 356432675 /nfs/dbraw/zinc/43/26/75/356432675.db2.gz HYCZIPZZLBEDHU-WCBMZHEXSA-N 1 2 237.303 0.977 20 0 BCADLO c1nc2n(n1)[C@@H](C[N@@H+]1CCc3cn[nH]c3C1)CC2 ZINC000639545276 356406470 /nfs/dbraw/zinc/40/64/70/356406470.db2.gz SPWCCOBVZFZWAJ-SNVBAGLBSA-N 1 2 244.302 0.547 20 0 BCADLO c1nc2n(n1)[C@@H](C[N@H+]1CCc3cn[nH]c3C1)CC2 ZINC000639545276 356406474 /nfs/dbraw/zinc/40/64/74/356406474.db2.gz SPWCCOBVZFZWAJ-SNVBAGLBSA-N 1 2 244.302 0.547 20 0 BCADLO CC[C@@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000420627987 192251391 /nfs/dbraw/zinc/25/13/91/192251391.db2.gz ONNAUKLFQDOPLB-MRVPVSSYSA-N 1 2 248.290 0.427 20 0 BCADLO COc1cncc(C[NH2+]Cc2cnn[nH]2)c1C ZINC000631180655 356453534 /nfs/dbraw/zinc/45/35/34/356453534.db2.gz USZMCXWTVRIXLT-UHFFFAOYSA-N 1 2 233.275 0.807 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1ncn(C)n1 ZINC000352212865 134108336 /nfs/dbraw/zinc/10/83/36/134108336.db2.gz RSQHVFHFUIPDJF-UHFFFAOYSA-N 1 2 246.274 0.262 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639551491 356435695 /nfs/dbraw/zinc/43/56/95/356435695.db2.gz NUPJOLITGZNFAE-LLVKDONJSA-N 1 2 248.330 0.995 20 0 BCADLO CC[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000420793649 192260937 /nfs/dbraw/zinc/26/09/37/192260937.db2.gz LBOHHDPPFIPAQO-GHMZBOCLSA-N 1 2 243.351 0.662 20 0 BCADLO CC[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000420793649 192260940 /nfs/dbraw/zinc/26/09/40/192260940.db2.gz LBOHHDPPFIPAQO-GHMZBOCLSA-N 1 2 243.351 0.662 20 0 BCADLO CNS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420700914 192257006 /nfs/dbraw/zinc/25/70/06/192257006.db2.gz PXMQUKOQZKEOMB-UHFFFAOYSA-N 1 2 229.305 0.252 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1ccncc1 ZINC000271597678 181285209 /nfs/dbraw/zinc/28/52/09/181285209.db2.gz SNFOIJSUSCGVIK-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1Cc1ccncc1 ZINC000271597678 181285210 /nfs/dbraw/zinc/28/52/10/181285210.db2.gz SNFOIJSUSCGVIK-SNVBAGLBSA-N 1 2 237.328 0.484 20 0 BCADLO CC(=O)C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000639570116 356494252 /nfs/dbraw/zinc/49/42/52/356494252.db2.gz MWBRARCDGBPNRP-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC(=O)C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000639570116 356494253 /nfs/dbraw/zinc/49/42/53/356494253.db2.gz MWBRARCDGBPNRP-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC(=O)C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000639571942 356496646 /nfs/dbraw/zinc/49/66/46/356496646.db2.gz XMRQUMZCUQPTMG-UHFFFAOYSA-N 1 2 241.335 0.653 20 0 BCADLO CC(=O)C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000639571942 356496651 /nfs/dbraw/zinc/49/66/51/356496651.db2.gz XMRQUMZCUQPTMG-UHFFFAOYSA-N 1 2 241.335 0.653 20 0 BCADLO COC(=O)CN(C)Cc1c[nH+]c2ccccn12 ZINC000179405417 366251954 /nfs/dbraw/zinc/25/19/54/366251954.db2.gz SXVOSXCMRLYTLK-UHFFFAOYSA-N 1 2 233.271 0.939 20 0 BCADLO COC[C@H]1C[N@H+](CC(C)=O)C[C@@H](C)O1 ZINC000639604336 356524907 /nfs/dbraw/zinc/52/49/07/356524907.db2.gz NVUHDBGACTXCPG-NXEZZACHSA-N 1 2 201.266 0.311 20 0 BCADLO COC[C@H]1C[N@@H+](CC(C)=O)C[C@@H](C)O1 ZINC000639604336 356524909 /nfs/dbraw/zinc/52/49/09/356524909.db2.gz NVUHDBGACTXCPG-NXEZZACHSA-N 1 2 201.266 0.311 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000639608737 356530581 /nfs/dbraw/zinc/53/05/81/356530581.db2.gz AOPRCWPULUQNTE-IUCAKERBSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000639608737 356530585 /nfs/dbraw/zinc/53/05/85/356530585.db2.gz AOPRCWPULUQNTE-IUCAKERBSA-N 1 2 223.263 0.707 20 0 BCADLO CC(=O)CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000639614407 356532070 /nfs/dbraw/zinc/53/20/70/356532070.db2.gz CQESZFYSEUTAJA-UHFFFAOYSA-N 1 2 228.336 0.618 20 0 BCADLO CC(=O)CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000639614407 356532074 /nfs/dbraw/zinc/53/20/74/356532074.db2.gz CQESZFYSEUTAJA-UHFFFAOYSA-N 1 2 228.336 0.618 20 0 BCADLO CC(=O)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000639615008 356533017 /nfs/dbraw/zinc/53/30/17/356533017.db2.gz IACGESDENLSGEH-TXEJJXNPSA-N 1 2 228.336 0.616 20 0 BCADLO CC(=O)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000639615008 356533020 /nfs/dbraw/zinc/53/30/20/356533020.db2.gz IACGESDENLSGEH-TXEJJXNPSA-N 1 2 228.336 0.616 20 0 BCADLO CC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000639597074 356515534 /nfs/dbraw/zinc/51/55/34/356515534.db2.gz AFJDQUAWWXSNPX-UHFFFAOYSA-N 1 2 207.220 0.667 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000660556522 491094002 /nfs/dbraw/zinc/09/40/02/491094002.db2.gz KKARQTKLEOTSTJ-MRVPVSSYSA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000660556522 491094004 /nfs/dbraw/zinc/09/40/04/491094004.db2.gz KKARQTKLEOTSTJ-MRVPVSSYSA-N 1 2 246.261 0.671 20 0 BCADLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)N(C)C)cnn1C ZINC000578112706 366266969 /nfs/dbraw/zinc/26/69/69/366266969.db2.gz TZRBGYZJVICSKR-SNVBAGLBSA-N 1 2 238.335 0.637 20 0 BCADLO Cc1c(C[N@H+](C)[C@H](C)C(=O)N(C)C)cnn1C ZINC000578112706 366266976 /nfs/dbraw/zinc/26/69/76/366266976.db2.gz TZRBGYZJVICSKR-SNVBAGLBSA-N 1 2 238.335 0.637 20 0 BCADLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)cnn1C ZINC000578112705 366267222 /nfs/dbraw/zinc/26/72/22/366267222.db2.gz TZRBGYZJVICSKR-JTQLQIEISA-N 1 2 238.335 0.637 20 0 BCADLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)N(C)C)cnn1C ZINC000578112705 366267233 /nfs/dbraw/zinc/26/72/33/366267233.db2.gz TZRBGYZJVICSKR-JTQLQIEISA-N 1 2 238.335 0.637 20 0 BCADLO CC1(C)C[N@H+](CC(=O)Nc2ccccn2)C[C@@H]1O ZINC000639618078 356535059 /nfs/dbraw/zinc/53/50/59/356535059.db2.gz AYBFAZIGRTXYEU-JTQLQIEISA-N 1 2 249.314 0.723 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)Nc2ccccn2)C[C@@H]1O ZINC000639618078 356535064 /nfs/dbraw/zinc/53/50/64/356535064.db2.gz AYBFAZIGRTXYEU-JTQLQIEISA-N 1 2 249.314 0.723 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420983747 192290505 /nfs/dbraw/zinc/29/05/05/192290505.db2.gz CSOHINNARYSIID-NSHDSACASA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420983747 192290508 /nfs/dbraw/zinc/29/05/08/192290508.db2.gz CSOHINNARYSIID-NSHDSACASA-N 1 2 226.320 0.515 20 0 BCADLO CC(=O)C[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC000639625778 356540193 /nfs/dbraw/zinc/54/01/93/356540193.db2.gz CQPRZVXBWAHOAD-UHFFFAOYSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000639625778 356540197 /nfs/dbraw/zinc/54/01/97/356540197.db2.gz CQPRZVXBWAHOAD-UHFFFAOYSA-N 1 2 225.248 0.544 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420988247 192291279 /nfs/dbraw/zinc/29/12/79/192291279.db2.gz SYCCELPTPWNOHQ-SNVBAGLBSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420988247 192291281 /nfs/dbraw/zinc/29/12/81/192291281.db2.gz SYCCELPTPWNOHQ-SNVBAGLBSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@H]1C[N@H+](CC(C)=O)C[C@@]2(CCOC2)O1 ZINC000639620808 356541095 /nfs/dbraw/zinc/54/10/95/356541095.db2.gz OHJRNVZOINTUAK-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO CC[C@H]1C[N@@H+](CC(C)=O)C[C@@]2(CCOC2)O1 ZINC000639620808 356541098 /nfs/dbraw/zinc/54/10/98/356541098.db2.gz OHJRNVZOINTUAK-NWDGAFQWSA-N 1 2 227.304 0.845 20 0 BCADLO COC1CC(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623296107 356541218 /nfs/dbraw/zinc/54/12/18/356541218.db2.gz AYYAPKZREKRYQW-YZRBJQDESA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C2CC2)O1 ZINC000336191079 134123384 /nfs/dbraw/zinc/12/33/84/134123384.db2.gz KIHWEWAEJGFFGP-ONGXEEELSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C2CC2)O1 ZINC000336191079 134123385 /nfs/dbraw/zinc/12/33/85/134123385.db2.gz KIHWEWAEJGFFGP-ONGXEEELSA-N 1 2 226.320 0.574 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000639622252 356542259 /nfs/dbraw/zinc/54/22/59/356542259.db2.gz ZECVAIGRSFCGGK-GHMZBOCLSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000639622252 356542263 /nfs/dbraw/zinc/54/22/63/356542263.db2.gz ZECVAIGRSFCGGK-GHMZBOCLSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000639623026 356542534 /nfs/dbraw/zinc/54/25/34/356542534.db2.gz HEDNNCMUGNGUDF-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000639623026 356542538 /nfs/dbraw/zinc/54/25/38/356542538.db2.gz HEDNNCMUGNGUDF-VXGBXAGGSA-N 1 2 227.304 0.845 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1C ZINC000639626977 356547756 /nfs/dbraw/zinc/54/77/56/356547756.db2.gz DKZDKNREVREZLE-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1C ZINC000639626977 356547761 /nfs/dbraw/zinc/54/77/61/356547761.db2.gz DKZDKNREVREZLE-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H](C[N@@H+]1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000336199195 134127895 /nfs/dbraw/zinc/12/78/95/134127895.db2.gz QZQLCLURYBZSJV-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](C[N@H+]1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000336199195 134127896 /nfs/dbraw/zinc/12/78/96/134127896.db2.gz QZQLCLURYBZSJV-IUCAKERBSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](C[N@@H+]1CC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336199196 134128234 /nfs/dbraw/zinc/12/82/34/134128234.db2.gz QZQLCLURYBZSJV-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](C[N@H+]1CC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336199196 134128235 /nfs/dbraw/zinc/12/82/35/134128235.db2.gz QZQLCLURYBZSJV-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335124826 535317435 /nfs/dbraw/zinc/31/74/35/535317435.db2.gz SYSMIQFLZAETLP-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nc(CC2CC2)no1 ZINC000639643782 356556301 /nfs/dbraw/zinc/55/63/01/356556301.db2.gz IIFDEXYOFRMTTK-UHFFFAOYSA-N 1 2 238.291 0.329 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nc(CC2CC2)no1 ZINC000639643782 356556305 /nfs/dbraw/zinc/55/63/05/356556305.db2.gz IIFDEXYOFRMTTK-UHFFFAOYSA-N 1 2 238.291 0.329 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC1(F)F ZINC000623299246 356556905 /nfs/dbraw/zinc/55/69/05/356556905.db2.gz UNIVVIXUBRBIMX-CBAPKCEASA-N 1 2 241.241 0.969 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299779 356559682 /nfs/dbraw/zinc/55/96/82/356559682.db2.gz CRGCCFCMYAIWIM-ZWNOBZJWSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299777 356559751 /nfs/dbraw/zinc/55/97/51/356559751.db2.gz CRGCCFCMYAIWIM-GXFFZTMASA-N 1 2 249.314 0.475 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299778 356560207 /nfs/dbraw/zinc/56/02/07/356560207.db2.gz CRGCCFCMYAIWIM-MFKMUULPSA-N 1 2 249.314 0.475 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H](C)OC[C@H]1C)CS(C)(=O)=O ZINC000162751691 202056262 /nfs/dbraw/zinc/05/62/62/202056262.db2.gz ZBQFUIPOUYUKSL-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1C[C@H](C)OC[C@H]1C)CS(C)(=O)=O ZINC000162751691 202056265 /nfs/dbraw/zinc/05/62/65/202056265.db2.gz ZBQFUIPOUYUKSL-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639674045 356590585 /nfs/dbraw/zinc/59/05/85/356590585.db2.gz QDFGHKMXCAFBMN-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639674045 356590587 /nfs/dbraw/zinc/59/05/87/356590587.db2.gz QDFGHKMXCAFBMN-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674785 356591873 /nfs/dbraw/zinc/59/18/73/356591873.db2.gz AFSGHJOAOLWXAU-HTQZYQBOSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674785 356591879 /nfs/dbraw/zinc/59/18/79/356591879.db2.gz AFSGHJOAOLWXAU-HTQZYQBOSA-N 1 2 227.264 0.632 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303347 356593132 /nfs/dbraw/zinc/59/31/32/356593132.db2.gz ALHBEIBBXHAYBO-JTQLQIEISA-N 1 2 237.303 0.739 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352296271 134139162 /nfs/dbraw/zinc/13/91/62/134139162.db2.gz DYRCXHUBWZTRAK-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352296271 134139163 /nfs/dbraw/zinc/13/91/63/134139163.db2.gz DYRCXHUBWZTRAK-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303625 356594199 /nfs/dbraw/zinc/59/41/99/356594199.db2.gz HNYHAGRBHSTARE-NGZCFLSTSA-N 1 2 219.288 0.970 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639663364 356577550 /nfs/dbraw/zinc/57/75/50/356577550.db2.gz AVTQHBQEYYGQQF-PSASIEDQSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639663364 356577553 /nfs/dbraw/zinc/57/75/53/356577553.db2.gz AVTQHBQEYYGQQF-PSASIEDQSA-N 1 2 237.303 0.977 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccn[nH]1 ZINC000623301774 356577793 /nfs/dbraw/zinc/57/77/93/356577793.db2.gz SXJUCOZZGAZBLY-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304069 356594301 /nfs/dbraw/zinc/59/43/01/356594301.db2.gz PXBVBTFAMSEEAS-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CC(C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303747 356594463 /nfs/dbraw/zinc/59/44/63/356594463.db2.gz KFJWTIMEKFISDG-MRVPVSSYSA-N 1 2 223.276 0.085 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303087 356583992 /nfs/dbraw/zinc/58/39/92/356583992.db2.gz VQJXYVCZKSNAOX-ADEWGFFLSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cnc[nH]1 ZINC000623304036 356594520 /nfs/dbraw/zinc/59/45/20/356594520.db2.gz PNTXDOOCXBOBEH-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000623307400 356611067 /nfs/dbraw/zinc/61/10/67/356611067.db2.gz FZNIDQSOVCENOU-NSHDSACASA-N 1 2 244.298 0.966 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000623307819 356613560 /nfs/dbraw/zinc/61/35/60/356613560.db2.gz ORCUDZAHCKSCIL-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO COC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623305333 356599424 /nfs/dbraw/zinc/59/94/24/356599424.db2.gz PYKXFSFVJBVQCY-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cn[nH]c1 ZINC000639691042 356600528 /nfs/dbraw/zinc/60/05/28/356600528.db2.gz QSCLTYZXPNLIHN-OPRDCNLKSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cn[nH]c1 ZINC000639691042 356600531 /nfs/dbraw/zinc/60/05/31/356600531.db2.gz QSCLTYZXPNLIHN-OPRDCNLKSA-N 1 2 236.319 0.849 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCOC1 ZINC000623305616 356600741 /nfs/dbraw/zinc/60/07/41/356600741.db2.gz WNGPPGHOKXLNMG-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCOC1 ZINC000623305617 356600878 /nfs/dbraw/zinc/60/08/78/356600878.db2.gz WNGPPGHOKXLNMG-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450155779 202088130 /nfs/dbraw/zinc/08/81/30/202088130.db2.gz BAIOUXMABYRZSH-KOLCDFICSA-N 1 2 236.271 0.442 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1c[nH+]c[nH]1 ZINC000639691511 356605557 /nfs/dbraw/zinc/60/55/57/356605557.db2.gz UQMHXDVSGVMZDJ-KXUCPTDWSA-N 1 2 236.319 0.849 20 0 BCADLO CC[C@H](NC(=O)[C@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000613578543 363521600 /nfs/dbraw/zinc/52/16/00/363521600.db2.gz CKIXWXIMSJYKJA-DTWKUNHWSA-N 1 2 223.276 0.748 20 0 BCADLO CC[C@@H](NC(=O)Cc1nnc(C)[nH]1)c1[nH]cc[nH+]1 ZINC000613579301 363522731 /nfs/dbraw/zinc/52/27/31/363522731.db2.gz LQJZWXNXQYEJAO-MRVPVSSYSA-N 1 2 248.290 0.646 20 0 BCADLO CNc1nc(NC[C@H](C)O)[nH+]c2ccccc21 ZINC000450214769 202098388 /nfs/dbraw/zinc/09/83/88/202098388.db2.gz ZFCVQPJFCZZUQC-QMMMGPOBSA-N 1 2 232.287 0.308 20 0 BCADLO OCc1cc[nH+]c(NC[C@H](O)[C@H]2CCCO2)c1 ZINC000630094656 363538550 /nfs/dbraw/zinc/53/85/50/363538550.db2.gz JRASNTCDILOUOH-WDEREUQCSA-N 1 2 238.287 0.526 20 0 BCADLO c1nn[nH]c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000450265319 202113451 /nfs/dbraw/zinc/11/34/51/202113451.db2.gz JMRYNRSLPLOYGC-LBPRGKRZSA-N 1 2 235.335 0.865 20 0 BCADLO C[C@H](C[N@@H+]1C[C@@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286015 202119276 /nfs/dbraw/zinc/11/92/76/202119276.db2.gz GSUJIQFUPWSIQV-NXEZZACHSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@H](C[N@H+]1C[C@@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286015 202119279 /nfs/dbraw/zinc/11/92/79/202119279.db2.gz GSUJIQFUPWSIQV-NXEZZACHSA-N 1 2 249.376 0.919 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CC1(C(=O)OC)CC1 ZINC000450349762 202138817 /nfs/dbraw/zinc/13/88/17/202138817.db2.gz PCPWIPPGOGERAQ-UHFFFAOYSA-N 1 2 229.276 0.481 20 0 BCADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCOC2)c[nH+]1 ZINC000542417151 325025428 /nfs/dbraw/zinc/02/54/28/325025428.db2.gz VHYFNJGIIOQYDT-SECBINFHSA-N 1 2 223.276 0.875 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305787825 134160778 /nfs/dbraw/zinc/16/07/78/134160778.db2.gz YWUPSRNKFUKXMX-BQBZGAKWSA-N 1 2 242.241 0.318 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305787825 134160779 /nfs/dbraw/zinc/16/07/79/134160779.db2.gz YWUPSRNKFUKXMX-BQBZGAKWSA-N 1 2 242.241 0.318 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054104255 363560504 /nfs/dbraw/zinc/56/05/04/363560504.db2.gz OSELATFAGZOJRS-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054104255 363560508 /nfs/dbraw/zinc/56/05/08/363560508.db2.gz OSELATFAGZOJRS-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CO[C@@H]1COC[C@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000582253044 356686715 /nfs/dbraw/zinc/68/67/15/356686715.db2.gz ZVWDKDGFGAPFCY-NXEZZACHSA-N 1 2 225.292 0.530 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450417411 202160703 /nfs/dbraw/zinc/16/07/03/202160703.db2.gz JJDFMLFNNDFJHN-CMPLNLGQSA-N 1 2 245.319 0.723 20 0 BCADLO Cc1cc(NCCn2cnnc2)c(C#N)c[nH+]1 ZINC000399440702 356701110 /nfs/dbraw/zinc/70/11/10/356701110.db2.gz KRIKHJKHYFKLTD-UHFFFAOYSA-N 1 2 228.259 0.387 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000054172124 363563870 /nfs/dbraw/zinc/56/38/70/363563870.db2.gz ZVMAGWVGFVRMJN-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000054172124 363563873 /nfs/dbraw/zinc/56/38/73/363563873.db2.gz ZVMAGWVGFVRMJN-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccoc1 ZINC000542476795 325029607 /nfs/dbraw/zinc/02/96/07/325029607.db2.gz BUJHVHUTMJTSQU-UHFFFAOYSA-N 1 2 219.244 0.986 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450417414 202160940 /nfs/dbraw/zinc/16/09/40/202160940.db2.gz JJDFMLFNNDFJHN-PWSUYJOCSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)O ZINC000259484513 491101964 /nfs/dbraw/zinc/10/19/64/491101964.db2.gz CFKHGGWMJKVAPE-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)O ZINC000259484513 491101966 /nfs/dbraw/zinc/10/19/66/491101966.db2.gz CFKHGGWMJKVAPE-BDAKNGLRSA-N 1 2 233.333 0.348 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)nn1 ZINC000639777041 356719638 /nfs/dbraw/zinc/71/96/38/356719638.db2.gz HRTTUICHKHNOBU-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)nn1 ZINC000639777041 356719641 /nfs/dbraw/zinc/71/96/41/356719641.db2.gz HRTTUICHKHNOBU-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777874 356724242 /nfs/dbraw/zinc/72/42/42/356724242.db2.gz NHUSTHNUXNKPDZ-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777874 356724246 /nfs/dbraw/zinc/72/42/46/356724246.db2.gz NHUSTHNUXNKPDZ-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO COCC[C@@H](C)[NH+]1CCS(=O)CC1 ZINC000088506428 356727358 /nfs/dbraw/zinc/72/73/58/356727358.db2.gz FEKYEQCOZLCTBT-SECBINFHSA-N 1 2 205.323 0.476 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CCCC1 ZINC000623338469 356733946 /nfs/dbraw/zinc/73/39/46/356733946.db2.gz AVZQXJYTWLCRRV-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1CCCC1 ZINC000623338469 356733950 /nfs/dbraw/zinc/73/39/50/356733950.db2.gz AVZQXJYTWLCRRV-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1cncnc1 ZINC000350515182 538663043 /nfs/dbraw/zinc/66/30/43/538663043.db2.gz VEORZHPCSGFQDZ-UHFFFAOYSA-N 1 2 232.247 0.532 20 0 BCADLO CCOC[C@@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000578187127 366371872 /nfs/dbraw/zinc/37/18/72/366371872.db2.gz PYJCQVDCCRFCCX-VIFPVBQESA-N 1 2 241.291 0.434 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)[nH]1 ZINC000355085138 356749998 /nfs/dbraw/zinc/74/99/98/356749998.db2.gz YUIGSWZCEHLDDT-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)[nH]1 ZINC000355085138 356750000 /nfs/dbraw/zinc/75/00/00/356750000.db2.gz YUIGSWZCEHLDDT-IUCAKERBSA-N 1 2 224.308 0.570 20 0 BCADLO CNc1nc(NCCCCO)[nH+]c2ccccc21 ZINC000450487507 202183636 /nfs/dbraw/zinc/18/36/36/202183636.db2.gz VEFMZCKBYKILKC-UHFFFAOYSA-N 1 2 246.314 0.700 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000450492331 202183807 /nfs/dbraw/zinc/18/38/07/202183807.db2.gz SHZWRXPUWKUUSL-GHMZBOCLSA-N 1 2 245.319 0.674 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000450492331 202183809 /nfs/dbraw/zinc/18/38/09/202183809.db2.gz SHZWRXPUWKUUSL-GHMZBOCLSA-N 1 2 245.319 0.674 20 0 BCADLO Cn1cc(Cc2noc(C[NH+](C)C)n2)cn1 ZINC000350639229 538680773 /nfs/dbraw/zinc/68/07/73/538680773.db2.gz VLWSZJIVDDCRIH-UHFFFAOYSA-N 1 2 221.264 0.456 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623362513 356810189 /nfs/dbraw/zinc/81/01/89/356810189.db2.gz WWYKQBRZXVNZGP-NXEZZACHSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623362513 356810192 /nfs/dbraw/zinc/81/01/92/356810192.db2.gz WWYKQBRZXVNZGP-NXEZZACHSA-N 1 2 229.324 0.415 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1cncnc1 ZINC000155104986 538701935 /nfs/dbraw/zinc/70/19/35/538701935.db2.gz UCVBCLLPPPIYCD-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cncnc1 ZINC000155104986 538701941 /nfs/dbraw/zinc/70/19/41/538701941.db2.gz UCVBCLLPPPIYCD-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H](O)COC(C)C)CCO1 ZINC000639832490 356818175 /nfs/dbraw/zinc/81/81/75/356818175.db2.gz CADHBWVMVOXKOD-QWRGUYRKSA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H](O)COC(C)C)CCO1 ZINC000639832490 356818179 /nfs/dbraw/zinc/81/81/79/356818179.db2.gz CADHBWVMVOXKOD-QWRGUYRKSA-N 1 2 233.308 0.077 20 0 BCADLO CCn1cc(CC[N@@H+]2CCO[C@H](OC)C2)cn1 ZINC000639836456 356822713 /nfs/dbraw/zinc/82/27/13/356822713.db2.gz HCSOXKHJLLHESY-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(CC[N@H+]2CCO[C@H](OC)C2)cn1 ZINC000639836456 356822715 /nfs/dbraw/zinc/82/27/15/356822715.db2.gz HCSOXKHJLLHESY-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CO[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000639835234 356825385 /nfs/dbraw/zinc/82/53/85/356825385.db2.gz BRXFUQWDEYGVFY-SNVBAGLBSA-N 1 2 211.265 0.225 20 0 BCADLO CO[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000639835204 356825554 /nfs/dbraw/zinc/82/55/54/356825554.db2.gz DORZFJYEMUYTCC-NSHDSACASA-N 1 2 225.292 0.831 20 0 BCADLO CO[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000639838453 356829245 /nfs/dbraw/zinc/82/92/45/356829245.db2.gz QBBDRINXFKFKDH-NWDGAFQWSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000639838453 356829248 /nfs/dbraw/zinc/82/92/48/356829248.db2.gz QBBDRINXFKFKDH-NWDGAFQWSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000639837480 356830143 /nfs/dbraw/zinc/83/01/43/356830143.db2.gz YPYNDYRWRTVGPA-VHSXEESVSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000639837480 356830147 /nfs/dbraw/zinc/83/01/47/356830147.db2.gz YPYNDYRWRTVGPA-VHSXEESVSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@H+](CCCN2CCOCC2)CCO1 ZINC000639840009 356831809 /nfs/dbraw/zinc/83/18/09/356831809.db2.gz UBLYMFZRZSGBGS-LBPRGKRZSA-N 1 2 244.335 0.013 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCN2CCOCC2)CCO1 ZINC000639840009 356831812 /nfs/dbraw/zinc/83/18/12/356831812.db2.gz UBLYMFZRZSGBGS-LBPRGKRZSA-N 1 2 244.335 0.013 20 0 BCADLO CCc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)no1 ZINC000359387479 356889034 /nfs/dbraw/zinc/88/90/34/356889034.db2.gz IWMUWGCYMXVKNM-MRVPVSSYSA-N 1 2 249.274 0.647 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639846518 356842203 /nfs/dbraw/zinc/84/22/03/356842203.db2.gz APUUWMCCTHUWIP-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639846518 356842205 /nfs/dbraw/zinc/84/22/05/356842205.db2.gz APUUWMCCTHUWIP-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO Cn1ccc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]1 ZINC000352133175 538715851 /nfs/dbraw/zinc/71/58/51/538715851.db2.gz ASHWOFUXXFIISV-UHFFFAOYSA-N 1 2 219.248 0.136 20 0 BCADLO Cn1ccc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]1 ZINC000352133175 538715862 /nfs/dbraw/zinc/71/58/62/538715862.db2.gz ASHWOFUXXFIISV-UHFFFAOYSA-N 1 2 219.248 0.136 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCCn1cccn1 ZINC000352105385 538716196 /nfs/dbraw/zinc/71/61/96/538716196.db2.gz JLALTKPUOWMIIL-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCCn1cccn1 ZINC000352105385 538716199 /nfs/dbraw/zinc/71/61/99/538716199.db2.gz JLALTKPUOWMIIL-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)C[C@H](C)OC ZINC000361566145 356933427 /nfs/dbraw/zinc/93/34/27/356933427.db2.gz RTNQULNWWVWCMS-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO CC[N@H+](Cc1nnnn1C)C[C@H](C)OC ZINC000361566145 356933429 /nfs/dbraw/zinc/93/34/29/356933429.db2.gz RTNQULNWWVWCMS-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@](O)(C3CC3)C2)[nH]1 ZINC000368475199 356972632 /nfs/dbraw/zinc/97/26/32/356972632.db2.gz RLZZJMDQUFFLEZ-GFCCVEGCSA-N 1 2 236.319 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@](O)(C3CC3)C2)[nH]1 ZINC000368475199 356972637 /nfs/dbraw/zinc/97/26/37/356972637.db2.gz RLZZJMDQUFFLEZ-GFCCVEGCSA-N 1 2 236.319 0.714 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639866409 356981070 /nfs/dbraw/zinc/98/10/70/356981070.db2.gz JCINNPZXXFOVNK-NSHDSACASA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639866409 356981072 /nfs/dbraw/zinc/98/10/72/356981072.db2.gz JCINNPZXXFOVNK-NSHDSACASA-N 1 2 244.302 0.974 20 0 BCADLO CCN1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000041363750 357029348 /nfs/dbraw/zinc/02/93/48/357029348.db2.gz NXLQCSYBLPODOH-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO COC(=O)C1([NH2+]C[C@H]2COCCO2)CCCC1 ZINC000450619946 202213061 /nfs/dbraw/zinc/21/30/61/202213061.db2.gz GSPRWUOVBHOGPU-JTQLQIEISA-N 1 2 243.303 0.477 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@]23CCNC3=O)no1 ZINC000582368882 357111382 /nfs/dbraw/zinc/11/13/82/357111382.db2.gz UMBGNPXQASHAQO-GFCCVEGCSA-N 1 2 235.287 0.838 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@]23CCNC3=O)no1 ZINC000582368882 357111383 /nfs/dbraw/zinc/11/13/83/357111383.db2.gz UMBGNPXQASHAQO-GFCCVEGCSA-N 1 2 235.287 0.838 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000399915206 357113349 /nfs/dbraw/zinc/11/33/49/357113349.db2.gz OBXLGPGFJHEZJZ-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000399915206 357113350 /nfs/dbraw/zinc/11/33/50/357113350.db2.gz OBXLGPGFJHEZJZ-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000399915211 357113352 /nfs/dbraw/zinc/11/33/52/357113352.db2.gz OBXLGPGFJHEZJZ-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000399915211 357113353 /nfs/dbraw/zinc/11/33/53/357113353.db2.gz OBXLGPGFJHEZJZ-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ncc[nH]1 ZINC000389996871 357081547 /nfs/dbraw/zinc/08/15/47/357081547.db2.gz QUDBIOBNEZFCLW-JGVFFNPUSA-N 1 2 231.321 0.493 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)c1ncc[nH]1)S(C)(=O)=O ZINC000389996872 357081561 /nfs/dbraw/zinc/08/15/61/357081561.db2.gz QUDBIOBNEZFCLW-SFYZADRCSA-N 1 2 231.321 0.493 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000354963117 538786906 /nfs/dbraw/zinc/78/69/06/538786906.db2.gz NDAXRKJJPGFJHW-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000354963117 538786912 /nfs/dbraw/zinc/78/69/12/538786912.db2.gz NDAXRKJJPGFJHW-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@H]2CCO)no1 ZINC000303742061 357144923 /nfs/dbraw/zinc/14/49/23/357144923.db2.gz MQVGEHBOBKYHDM-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@H]2CCO)no1 ZINC000303742061 357144927 /nfs/dbraw/zinc/14/49/27/357144927.db2.gz MQVGEHBOBKYHDM-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO COC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000392366362 357148688 /nfs/dbraw/zinc/14/86/88/357148688.db2.gz HDCWOWDZAXLHLP-ZETCQYMHSA-N 1 2 214.269 0.271 20 0 BCADLO CCc1nc(N2C[C@@H](O)C[C@@H]2CO)cc(C)[nH+]1 ZINC000376404270 357202150 /nfs/dbraw/zinc/20/21/50/357202150.db2.gz WLDDBQUWGSOFTA-ZJUUUORDSA-N 1 2 237.303 0.279 20 0 BCADLO CC[N@H+](Cc1noc(COC)n1)CC(C)(C)O ZINC000305877417 357214886 /nfs/dbraw/zinc/21/48/86/357214886.db2.gz RZPLTSAAFGBNPX-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO CC[N@@H+](Cc1noc(COC)n1)CC(C)(C)O ZINC000305877417 357214887 /nfs/dbraw/zinc/21/48/87/357214887.db2.gz RZPLTSAAFGBNPX-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(=O)[nH]1 ZINC000356786672 538815354 /nfs/dbraw/zinc/81/53/54/538815354.db2.gz XGWXYSHPBIOTEF-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000131235758 325128291 /nfs/dbraw/zinc/12/82/91/325128291.db2.gz IHAFSTZCDDFBKU-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000377552682 357235313 /nfs/dbraw/zinc/23/53/13/357235313.db2.gz DOXLNJOICLNOTB-QMMMGPOBSA-N 1 2 238.291 0.329 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000377552682 357235318 /nfs/dbraw/zinc/23/53/18/357235318.db2.gz DOXLNJOICLNOTB-QMMMGPOBSA-N 1 2 238.291 0.329 20 0 BCADLO Cc1cnn(CC(=O)NCc2c[nH+]cn2C)c1 ZINC000356780993 538817245 /nfs/dbraw/zinc/81/72/45/538817245.db2.gz ONRXVEHWGMJRTA-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO Cc1nc(NCCC2(CO)CC2)cc[nH+]1 ZINC000395854992 491108567 /nfs/dbraw/zinc/10/85/67/491108567.db2.gz WGEDJPQHKQEEQQ-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCc1ccccn1 ZINC000357072489 538825005 /nfs/dbraw/zinc/82/50/05/538825005.db2.gz WILVWGVQBUAFPV-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO O=[S@]1CC[C@@H](Nc2nc[nH+]c3c2CCC3)C1 ZINC000393740331 357295543 /nfs/dbraw/zinc/29/55/43/357295543.db2.gz AYWFWTJCKGLQCY-BCTVWOGZSA-N 1 2 237.328 0.898 20 0 BCADLO Cn1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000631261292 357249415 /nfs/dbraw/zinc/24/94/15/357249415.db2.gz VWAXSSFNNNZHAC-RNFRBKRXSA-N 1 2 220.198 0.856 20 0 BCADLO Cn1cc(C[NH+]2CC3(C2)CCCO3)cn1 ZINC000628426752 357255302 /nfs/dbraw/zinc/25/53/02/357255302.db2.gz KAEGSMGROTVXIG-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cn1c[nH+]cc1CN1CC2(C1)CCCO2 ZINC000628427164 357255851 /nfs/dbraw/zinc/25/58/51/357255851.db2.gz JXMTVRSYAPOVNU-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCc1ccncc1 ZINC000357069625 538824743 /nfs/dbraw/zinc/82/47/43/538824743.db2.gz RVYBJTBASJWTSG-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000356801772 538818277 /nfs/dbraw/zinc/81/82/77/538818277.db2.gz MCJRIXOOHVMFSN-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO O=C(NCc1cc[nH]n1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582727095 357373420 /nfs/dbraw/zinc/37/34/20/357373420.db2.gz ABJBDPOPNFCHIV-SECBINFHSA-N 1 2 245.286 0.485 20 0 BCADLO C[C@@H](CC(=O)NCCc1ncc[nH]1)n1cc[nH+]c1 ZINC000582489048 357319320 /nfs/dbraw/zinc/31/93/20/357319320.db2.gz CHFFCVSUNNACNJ-JTQLQIEISA-N 1 2 247.302 0.916 20 0 BCADLO C[C@H](CC(=O)NCCc1ncc[nH]1)n1cc[nH+]c1 ZINC000582489049 357319651 /nfs/dbraw/zinc/31/96/51/357319651.db2.gz CHFFCVSUNNACNJ-SNVBAGLBSA-N 1 2 247.302 0.916 20 0 BCADLO CCC[C@H](C)[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000582492333 357320332 /nfs/dbraw/zinc/32/03/32/357320332.db2.gz LCJJKFIOBBAYLW-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1[nH]c(C(=O)NCCN2CCCC2=O)c[nH+]1 ZINC000582493813 357322532 /nfs/dbraw/zinc/32/25/32/357322532.db2.gz VZFIEJVLNDQMGB-UHFFFAOYSA-N 1 2 236.275 0.070 20 0 BCADLO CCc1noc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000157507062 538828391 /nfs/dbraw/zinc/82/83/91/538828391.db2.gz LZQXTIWYVPDFCZ-UHFFFAOYSA-N 1 2 243.307 0.055 20 0 BCADLO CCc1noc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000157507062 538828393 /nfs/dbraw/zinc/82/83/93/538828393.db2.gz LZQXTIWYVPDFCZ-UHFFFAOYSA-N 1 2 243.307 0.055 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CO1 ZINC000582548503 357332478 /nfs/dbraw/zinc/33/24/78/357332478.db2.gz OOTGUQWKNJNNTP-IUCAKERBSA-N 1 2 223.276 0.256 20 0 BCADLO CNC(=O)c1cccnc1NCc1c[nH+]cn1C ZINC000357592411 538830719 /nfs/dbraw/zinc/83/07/19/538830719.db2.gz IRGRJQCWGVNBKH-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@H]1C ZINC000582616747 357354130 /nfs/dbraw/zinc/35/41/30/357354130.db2.gz LTHPOKOYGBHKEM-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@H]1C ZINC000582616747 357354131 /nfs/dbraw/zinc/35/41/31/357354131.db2.gz LTHPOKOYGBHKEM-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](CC(=O)NC[C@@H](O)C(F)F)n1cc[nH+]c1 ZINC000582669247 357359675 /nfs/dbraw/zinc/35/96/75/357359675.db2.gz HHNVHZOXBDTDFE-HTQZYQBOSA-N 1 2 247.245 0.576 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)[nH]1 ZINC000582646575 357362470 /nfs/dbraw/zinc/36/24/70/357362470.db2.gz ZFATUZABAQIUSZ-ONGXEEELSA-N 1 2 249.362 0.939 20 0 BCADLO CC[N@H+](CC(=O)OC)[C@@H]1CCCOC1 ZINC000225276303 357403419 /nfs/dbraw/zinc/40/34/19/357403419.db2.gz SRFGWCBZYKWPEB-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@@H+](CC(=O)OC)[C@@H]1CCCOC1 ZINC000225276303 357403422 /nfs/dbraw/zinc/40/34/22/357403422.db2.gz SRFGWCBZYKWPEB-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC000582864366 357415683 /nfs/dbraw/zinc/41/56/83/357415683.db2.gz BRNQAJLLVCHPMT-ONGXEEELSA-N 1 2 237.303 0.192 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)N1CCCC1 ZINC000582857451 357421636 /nfs/dbraw/zinc/42/16/36/357421636.db2.gz QGJBSYKOLGOVGY-UHFFFAOYSA-N 1 2 244.320 0.182 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)N1CCCC1 ZINC000582857451 357421640 /nfs/dbraw/zinc/42/16/40/357421640.db2.gz QGJBSYKOLGOVGY-UHFFFAOYSA-N 1 2 244.320 0.182 20 0 BCADLO CCc1cnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)o1 ZINC000583003395 357455278 /nfs/dbraw/zinc/45/52/78/357455278.db2.gz UKXLAZQTFJUGIP-LDYMZIIASA-N 1 2 237.303 0.851 20 0 BCADLO Cn1cncc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000584384768 357468969 /nfs/dbraw/zinc/46/89/69/357468969.db2.gz ZMOBIFREWZTBRL-UHFFFAOYSA-N 1 2 230.231 0.715 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@H](CO)C1 ZINC000396955122 357487413 /nfs/dbraw/zinc/48/74/13/357487413.db2.gz BJCNXPGJTCFATA-UWVGGRQHSA-N 1 2 238.287 0.270 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@@H](CO)C1 ZINC000396955126 357487938 /nfs/dbraw/zinc/48/79/38/357487938.db2.gz BJCNXPGJTCFATA-ZJUUUORDSA-N 1 2 238.287 0.270 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1ccn(C)n1)C1CC1 ZINC000230875463 357576101 /nfs/dbraw/zinc/57/61/01/357576101.db2.gz SQNDODIFYOVLRD-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000188528050 357558376 /nfs/dbraw/zinc/55/83/76/357558376.db2.gz IKSMXNAKSVCEIZ-VWYCJHECSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000188528050 357558379 /nfs/dbraw/zinc/55/83/79/357558379.db2.gz IKSMXNAKSVCEIZ-VWYCJHECSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000583228711 357646787 /nfs/dbraw/zinc/64/67/87/357646787.db2.gz OZVFYOPYUQCSLF-GXSJLCMTSA-N 1 2 223.276 0.567 20 0 BCADLO CCn1cnnc1C[NH2+]Cc1ccc(OC)nc1 ZINC000232139577 357648078 /nfs/dbraw/zinc/64/80/78/357648078.db2.gz HLCLWSZDWGPNHV-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO C[C@@H](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000397734089 357674289 /nfs/dbraw/zinc/67/42/89/357674289.db2.gz RNRWLBLKDDLAHI-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO CCc1nnc(C2CC[NH+](CC(N)=O)CC2)[nH]1 ZINC000190652817 357720610 /nfs/dbraw/zinc/72/06/10/357720610.db2.gz RSTBGLYFIWZINQ-UHFFFAOYSA-N 1 2 237.307 0.032 20 0 BCADLO CCc1n[nH]c(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000190652817 357720616 /nfs/dbraw/zinc/72/06/16/357720616.db2.gz RSTBGLYFIWZINQ-UHFFFAOYSA-N 1 2 237.307 0.032 20 0 BCADLO CCc1nc(C2CC[NH+](CC(N)=O)CC2)n[nH]1 ZINC000190652817 357720619 /nfs/dbraw/zinc/72/06/19/357720619.db2.gz RSTBGLYFIWZINQ-UHFFFAOYSA-N 1 2 237.307 0.032 20 0 BCADLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1=O ZINC000190210230 357692820 /nfs/dbraw/zinc/69/28/20/357692820.db2.gz PBIMKPHSICUUFX-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC1=O ZINC000190210230 357692823 /nfs/dbraw/zinc/69/28/23/357692823.db2.gz PBIMKPHSICUUFX-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO C[C@@H]1COC[C@H](C)N1CC[N@@H+]1CCOC[C@@H]1C ZINC000191507159 357777827 /nfs/dbraw/zinc/77/78/27/357777827.db2.gz IATNQNRQLMQFKU-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COC[C@H](C)N1CC[N@H+]1CCOC[C@@H]1C ZINC000191507159 357777829 /nfs/dbraw/zinc/77/78/29/357777829.db2.gz IATNQNRQLMQFKU-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO CCOC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000233737448 357741685 /nfs/dbraw/zinc/74/16/85/357741685.db2.gz QNUXUUSHHTTWQY-SECBINFHSA-N 1 2 227.312 0.361 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CO ZINC000191727229 357792129 /nfs/dbraw/zinc/79/21/29/357792129.db2.gz KQEDJRGTBAZYTF-SFYZADRCSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CO ZINC000191727229 357792131 /nfs/dbraw/zinc/79/21/31/357792131.db2.gz KQEDJRGTBAZYTF-SFYZADRCSA-N 1 2 213.306 0.598 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCC(OC)CC1)[C@H](C)O ZINC000191964718 357807315 /nfs/dbraw/zinc/80/73/15/357807315.db2.gz FNKWOXONXGBKNT-PMUOWJKOSA-N 1 2 245.319 0.456 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000618703835 357784418 /nfs/dbraw/zinc/78/44/18/357784418.db2.gz HHIVQYHNASSBFE-GXFFZTMASA-N 1 2 249.314 0.837 20 0 BCADLO COc1ncccc1C[N@H+](C)CC(=O)N(C)C ZINC000193302280 357873411 /nfs/dbraw/zinc/87/34/11/357873411.db2.gz WVEBBWDHRLUSGH-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1ncccc1C[N@@H+](C)CC(=O)N(C)C ZINC000193302280 357873412 /nfs/dbraw/zinc/87/34/12/357873412.db2.gz WVEBBWDHRLUSGH-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO CCNC(=O)CC[NH2+][C@@H](C)c1csnn1 ZINC000398274796 357882127 /nfs/dbraw/zinc/88/21/27/357882127.db2.gz RZNHPSCNHPNNKZ-ZETCQYMHSA-N 1 2 228.321 0.715 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)[C@H](CO)C1 ZINC000639936812 357941287 /nfs/dbraw/zinc/94/12/87/357941287.db2.gz OJNHCUUIKSPMCD-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)[C@H](CO)C1 ZINC000639936812 357941291 /nfs/dbraw/zinc/94/12/91/357941291.db2.gz OJNHCUUIKSPMCD-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO CC1(C)[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]2CCO[C@@H]21 ZINC000583786274 357941742 /nfs/dbraw/zinc/94/17/42/357941742.db2.gz BEMVHGTUBLSMKK-WCQGTBRESA-N 1 2 249.314 0.813 20 0 BCADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCO)C2 ZINC000610504465 357958128 /nfs/dbraw/zinc/95/81/28/357958128.db2.gz FYKBEWOKABXMFA-UHFFFAOYSA-N 1 2 221.256 0.781 20 0 BCADLO COC(=O)c1ccc2c(c1)C[N@H+](CCO)C2 ZINC000610504465 357958132 /nfs/dbraw/zinc/95/81/32/357958132.db2.gz FYKBEWOKABXMFA-UHFFFAOYSA-N 1 2 221.256 0.781 20 0 BCADLO CCC[C@@H](O)CNc1nc[nH+]c(N)c1OC ZINC000218558234 357964979 /nfs/dbraw/zinc/96/49/79/357964979.db2.gz FVLYEEUCEMFGOD-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO CCC[C@@H](O)CNc1[nH+]cnc(N)c1OC ZINC000218558234 357964981 /nfs/dbraw/zinc/96/49/81/357964981.db2.gz FVLYEEUCEMFGOD-SSDOTTSWSA-N 1 2 226.280 0.640 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1coc(C)n1 ZINC000639956957 357981051 /nfs/dbraw/zinc/98/10/51/357981051.db2.gz HJHKADLJAHCALL-SNVBAGLBSA-N 1 2 214.265 0.470 20 0 BCADLO CCc1nnc(C[NH2+][C@@](C)(CO)COC)s1 ZINC000639957187 357981083 /nfs/dbraw/zinc/98/10/83/357981083.db2.gz KVKRSOCOJZYBGU-JTQLQIEISA-N 1 2 245.348 0.588 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1nn(C)cc1Cl ZINC000639958928 357983736 /nfs/dbraw/zinc/98/37/36/357983736.db2.gz XVQZINOETBBHAF-JTQLQIEISA-N 1 2 247.726 0.561 20 0 BCADLO COC(=O)CC[NH2+][C@H](C(=O)OC)C(C)C ZINC000035346635 357984809 /nfs/dbraw/zinc/98/48/09/357984809.db2.gz BLTHKFUTOSUZCU-VIFPVBQESA-N 1 2 217.265 0.337 20 0 BCADLO COC(=O)CCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000035346617 357984914 /nfs/dbraw/zinc/98/49/14/357984914.db2.gz MCLZILWGHQIIJR-JTQLQIEISA-N 1 2 231.292 0.727 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662177 358047650 /nfs/dbraw/zinc/04/76/50/358047650.db2.gz SJWDASHLHQZIJL-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662177 358047651 /nfs/dbraw/zinc/04/76/51/358047651.db2.gz SJWDASHLHQZIJL-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO Cn1c[nH+]cc1CN1CC(O)(C2CC2)C1 ZINC000085191960 134247788 /nfs/dbraw/zinc/24/77/88/134247788.db2.gz LRZXBPNOVZYTBL-UHFFFAOYSA-N 1 2 207.277 0.377 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnns2)[C@@](C)(CO)C1 ZINC000640004848 358050629 /nfs/dbraw/zinc/05/06/29/358050629.db2.gz ODGWZDDYKXNMIU-WCBMZHEXSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnns2)[C@@](C)(CO)C1 ZINC000640004848 358050632 /nfs/dbraw/zinc/05/06/32/358050632.db2.gz ODGWZDDYKXNMIU-WCBMZHEXSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnns2)[C@](C)(CO)C1 ZINC000640004847 358051025 /nfs/dbraw/zinc/05/10/25/358051025.db2.gz ODGWZDDYKXNMIU-SCZZXKLOSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnns2)[C@](C)(CO)C1 ZINC000640004847 358051029 /nfs/dbraw/zinc/05/10/29/358051029.db2.gz ODGWZDDYKXNMIU-SCZZXKLOSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nc(C)no2)[C@@](C)(CO)C1 ZINC000640011804 358067438 /nfs/dbraw/zinc/06/74/38/358067438.db2.gz XZPKCGNBTWVPIZ-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nc(C)no2)[C@@](C)(CO)C1 ZINC000640011804 358067441 /nfs/dbraw/zinc/06/74/41/358067441.db2.gz XZPKCGNBTWVPIZ-MWLCHTKSSA-N 1 2 241.291 0.350 20 0 BCADLO O=C(Nc1ccncn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000640012503 358068025 /nfs/dbraw/zinc/06/80/25/358068025.db2.gz GFQMFSNOTTUBET-QMMMGPOBSA-N 1 2 244.258 0.420 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)OC)CCS1 ZINC000076072815 325328730 /nfs/dbraw/zinc/32/87/30/325328730.db2.gz QPLTWFDNFTZNDM-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)OC)CCS1 ZINC000076072815 325328731 /nfs/dbraw/zinc/32/87/31/325328731.db2.gz QPLTWFDNFTZNDM-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(=O)CC1 ZINC000037329162 358078356 /nfs/dbraw/zinc/07/83/56/358078356.db2.gz UWYSOZDRQNSDSX-UHFFFAOYSA-N 1 2 207.233 0.075 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)COC(C)C)C(C)C ZINC000037887888 358096944 /nfs/dbraw/zinc/09/69/44/358096944.db2.gz TXOXHXSAXDFHGQ-WDEREUQCSA-N 1 2 247.335 0.560 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](CCO)C2)no1 ZINC000051916616 358100568 /nfs/dbraw/zinc/10/05/68/358100568.db2.gz VMGKVALJESLVBK-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](CCO)C2)no1 ZINC000051916616 358100569 /nfs/dbraw/zinc/10/05/69/358100569.db2.gz VMGKVALJESLVBK-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C)noc1C ZINC000053147443 358105755 /nfs/dbraw/zinc/10/57/55/358105755.db2.gz ONNHDCRMZVKKRA-UHFFFAOYSA-N 1 2 211.265 0.469 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C)noc1C ZINC000053147443 358105758 /nfs/dbraw/zinc/10/57/58/358105758.db2.gz ONNHDCRMZVKKRA-UHFFFAOYSA-N 1 2 211.265 0.469 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)C)C[C@H](C)O ZINC000352219083 535395886 /nfs/dbraw/zinc/39/58/86/535395886.db2.gz BOVAGJVMBKXRIO-VIFPVBQESA-N 1 2 227.312 0.457 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)C)C[C@H](C)O ZINC000352219083 535395888 /nfs/dbraw/zinc/39/58/88/535395888.db2.gz BOVAGJVMBKXRIO-VIFPVBQESA-N 1 2 227.312 0.457 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cnns1 ZINC000640026019 358110069 /nfs/dbraw/zinc/11/00/69/358110069.db2.gz LEDAFJSFKIAOPS-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)C)C(C)(C)C ZINC000610737149 358130891 /nfs/dbraw/zinc/13/08/91/358130891.db2.gz ZLIMAGRAVNYYII-SNVBAGLBSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ncnn1C)C2 ZINC000584696376 358153563 /nfs/dbraw/zinc/15/35/63/358153563.db2.gz VEHSZOAKOLQSPG-UHFFFAOYSA-N 1 2 244.302 0.472 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+](Cc1ncnn1C)C2 ZINC000584696376 358153568 /nfs/dbraw/zinc/15/35/68/358153568.db2.gz VEHSZOAKOLQSPG-UHFFFAOYSA-N 1 2 244.302 0.472 20 0 BCADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCCF ZINC000640105146 358195958 /nfs/dbraw/zinc/19/59/58/358195958.db2.gz SJIKIIHBJGCSGV-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCCF ZINC000640105146 358195961 /nfs/dbraw/zinc/19/59/61/358195961.db2.gz SJIKIIHBJGCSGV-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584832160 358196143 /nfs/dbraw/zinc/19/61/43/358196143.db2.gz QKNQEENXEFVBEO-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@](C)([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450656554 202227089 /nfs/dbraw/zinc/22/70/89/202227089.db2.gz KBEWUFBNJRNXQT-ONGXEEELSA-N 1 2 231.292 0.333 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)n(C)n1 ZINC000584847821 358201408 /nfs/dbraw/zinc/20/14/08/358201408.db2.gz AGJWLYGUCAZSHN-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO O[C@H](CN1CCCCCO1)C[NH+]1CCOCC1 ZINC000640122078 358201882 /nfs/dbraw/zinc/20/18/82/358201882.db2.gz NJVJUZAUBRADJZ-LBPRGKRZSA-N 1 2 244.335 0.097 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCC(C)(C)O ZINC000584875393 358210054 /nfs/dbraw/zinc/21/00/54/358210054.db2.gz GWBACIOYGWJALV-UHFFFAOYSA-N 1 2 225.292 0.587 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCO ZINC000610829472 358210839 /nfs/dbraw/zinc/21/08/39/358210839.db2.gz ZHIGUMGGGACJAP-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCO ZINC000610829472 358210843 /nfs/dbraw/zinc/21/08/43/358210843.db2.gz ZHIGUMGGGACJAP-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)Cc1c[nH+]cn1C ZINC000547605658 325374385 /nfs/dbraw/zinc/37/43/85/325374385.db2.gz HXQKFWRDEYGPMB-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000172878084 134270462 /nfs/dbraw/zinc/27/04/62/134270462.db2.gz JVWDWUVDOFCTNN-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000172878084 134270463 /nfs/dbraw/zinc/27/04/63/134270463.db2.gz JVWDWUVDOFCTNN-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000226600248 358341755 /nfs/dbraw/zinc/34/17/55/358341755.db2.gz KQRUWYLOUGAPGB-XHNCKOQMSA-N 1 2 215.293 0.687 20 0 BCADLO CCCn1ncnc1C[NH2+][C@@H]1COC[C@H]1OC ZINC000564326845 325379268 /nfs/dbraw/zinc/37/92/68/325379268.db2.gz SDDNKONWCPMYBO-NXEZZACHSA-N 1 2 240.307 0.192 20 0 BCADLO Cn1cc[nH+]c1CSc1nnc(N)n1C ZINC000042583832 358352257 /nfs/dbraw/zinc/35/22/57/358352257.db2.gz ADQPETGVXSCYSW-UHFFFAOYSA-N 1 2 224.293 0.423 20 0 BCADLO Cn1c(C(=O)N2CCc3[nH]c[nH+]c3C2)c[nH]c1=O ZINC000633130898 358335320 /nfs/dbraw/zinc/33/53/20/358335320.db2.gz BCYTVKMRQFUFQZ-UHFFFAOYSA-N 1 2 247.258 0.047 20 0 BCADLO Cn1c(C(=O)N2CCc3[nH+]c[nH]c3C2)c[nH]c1=O ZINC000633130898 358335323 /nfs/dbraw/zinc/33/53/23/358335323.db2.gz BCYTVKMRQFUFQZ-UHFFFAOYSA-N 1 2 247.258 0.047 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)OC(C)C ZINC000173777630 134277473 /nfs/dbraw/zinc/27/74/73/134277473.db2.gz MGHCJIKLUJLNNI-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)OC(C)C ZINC000173777630 134277474 /nfs/dbraw/zinc/27/74/74/134277474.db2.gz MGHCJIKLUJLNNI-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1ccnn1C)C(C)C ZINC000230752644 358411079 /nfs/dbraw/zinc/41/10/79/358411079.db2.gz OPCRRTMFWXIUTM-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)C[C@@H]1F ZINC000399498941 358450418 /nfs/dbraw/zinc/45/04/18/358450418.db2.gz XGXDMOCDGUDRAO-XVKPBYJWSA-N 1 2 211.240 0.817 20 0 BCADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)C[C@@H]1F ZINC000399498938 358450529 /nfs/dbraw/zinc/45/05/29/358450529.db2.gz XGXDMOCDGUDRAO-OIBJUYFYSA-N 1 2 211.240 0.817 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1 ZINC000042513496 358525733 /nfs/dbraw/zinc/52/57/33/358525733.db2.gz XWDXRDYAKHEFFM-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569790 358526553 /nfs/dbraw/zinc/52/65/53/358526553.db2.gz APKHFPIUQUMNLD-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569790 358526556 /nfs/dbraw/zinc/52/65/56/358526556.db2.gz APKHFPIUQUMNLD-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000219431305 134285249 /nfs/dbraw/zinc/28/52/49/134285249.db2.gz GHLOKEXLRHVIDG-BDAKNGLRSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1cc(N(C)CC[NH+]2CCOCC2)n[nH]1 ZINC000640189922 358592185 /nfs/dbraw/zinc/59/21/85/358592185.db2.gz KQCPNGNBOYWZJI-UHFFFAOYSA-N 1 2 224.308 0.487 20 0 BCADLO NC(=O)C[NH+](CCC1CCCCC1)CC(N)=O ZINC000047614483 358597403 /nfs/dbraw/zinc/59/74/03/358597403.db2.gz PCDHZVOPTRWWSU-UHFFFAOYSA-N 1 2 241.335 0.229 20 0 BCADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)on1 ZINC000049083576 358669188 /nfs/dbraw/zinc/66/91/88/358669188.db2.gz AEELDPCGDYODJW-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1ccnc(C(N)=O)c1 ZINC000049235966 358677085 /nfs/dbraw/zinc/67/70/85/358677085.db2.gz CKPAJXSYIWSNOX-SECBINFHSA-N 1 2 245.286 0.878 20 0 BCADLO CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000049345644 358684674 /nfs/dbraw/zinc/68/46/74/358684674.db2.gz GFWOPEASKSMSFX-UHFFFAOYSA-N 1 2 216.244 0.903 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176432367 134291622 /nfs/dbraw/zinc/29/16/22/134291622.db2.gz AZLDZEUPURVAEU-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176432367 134291623 /nfs/dbraw/zinc/29/16/23/134291623.db2.gz AZLDZEUPURVAEU-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000050048356 358710365 /nfs/dbraw/zinc/71/03/65/358710365.db2.gz CBQYWILMUGVXDC-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC000050048356 358710368 /nfs/dbraw/zinc/71/03/68/358710368.db2.gz CBQYWILMUGVXDC-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050048344 358710544 /nfs/dbraw/zinc/71/05/44/358710544.db2.gz VSOLVAZMJCRFGJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050048344 358710546 /nfs/dbraw/zinc/71/05/46/358710546.db2.gz VSOLVAZMJCRFGJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO COC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000050118896 358717467 /nfs/dbraw/zinc/71/74/67/358717467.db2.gz KEZNMHCUNNVXHG-VIFPVBQESA-N 1 2 233.308 0.267 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000050118896 358717468 /nfs/dbraw/zinc/71/74/68/358717468.db2.gz KEZNMHCUNNVXHG-VIFPVBQESA-N 1 2 233.308 0.267 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H](O)C1CC1 ZINC000613670493 363618210 /nfs/dbraw/zinc/61/82/10/363618210.db2.gz SNKOGEHPZHVJJU-GXSJLCMTSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@H](CC(N)=O)Nc1[nH+]cnc2c1cnn2C ZINC000135018997 358816536 /nfs/dbraw/zinc/81/65/36/358816536.db2.gz YASKRNBQKRSVFO-ZCFIWIBFSA-N 1 2 234.263 0.039 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCOC)C1CCOCC1 ZINC000053257440 358819955 /nfs/dbraw/zinc/81/99/55/358819955.db2.gz ZQRUYPSKMFEZCE-LLVKDONJSA-N 1 2 245.319 0.581 20 0 BCADLO CCc1nnsc1C(=O)N1CC[NH+](C)CC1 ZINC000052929049 358802316 /nfs/dbraw/zinc/80/23/16/358802316.db2.gz FHVQVJHKUDCLRU-UHFFFAOYSA-N 1 2 240.332 0.488 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c[nH+]c2C)no1 ZINC000578304594 366477286 /nfs/dbraw/zinc/47/72/86/366477286.db2.gz JRVRPOGTNSLQED-UHFFFAOYSA-N 1 2 234.259 0.873 20 0 BCADLO Cn1cccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474438 358875732 /nfs/dbraw/zinc/87/57/32/358875732.db2.gz AOJHQZKJXMBEIZ-NSHDSACASA-N 1 2 237.303 0.101 20 0 BCADLO Cn1cccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474438 358875736 /nfs/dbraw/zinc/87/57/36/358875736.db2.gz AOJHQZKJXMBEIZ-NSHDSACASA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180417 358929384 /nfs/dbraw/zinc/92/93/84/358929384.db2.gz HDVZCNWCBCLHBX-ZCFIWIBFSA-N 1 2 247.245 0.301 20 0 BCADLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(CC(F)F)CC1 ZINC000061040661 358931030 /nfs/dbraw/zinc/93/10/30/358931030.db2.gz PNRDKRFLLAKKJV-VIFPVBQESA-N 1 2 249.305 0.346 20 0 BCADLO COCC[NH+](CCOC)CC(=O)OC(C)(C)C ZINC000066862221 359023942 /nfs/dbraw/zinc/02/39/42/359023942.db2.gz PSXWBQGHSAUOJR-UHFFFAOYSA-N 1 2 247.335 0.923 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCNC(=O)C2)cc[nH+]1 ZINC000074666245 359123253 /nfs/dbraw/zinc/12/32/53/359123253.db2.gz GBAHXLNIIGMNNY-VIFPVBQESA-N 1 2 233.271 0.855 20 0 BCADLO Cc1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000070979164 359067516 /nfs/dbraw/zinc/06/75/16/359067516.db2.gz VVHQFGMSASBGRK-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cc(=O)c(O)co2)cn1 ZINC000072979030 359094269 /nfs/dbraw/zinc/09/42/69/359094269.db2.gz TVLWIJWHTFWTLX-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cc(=O)c(O)co2)cn1 ZINC000072979030 359094272 /nfs/dbraw/zinc/09/42/72/359094272.db2.gz TVLWIJWHTFWTLX-UHFFFAOYSA-N 1 2 249.270 0.711 20 0 BCADLO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)C(N)=O ZINC000073118130 359095438 /nfs/dbraw/zinc/09/54/38/359095438.db2.gz GTHMEOLFCGAMTI-KOLCDFICSA-N 1 2 249.314 0.279 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000073557285 359102991 /nfs/dbraw/zinc/10/29/91/359102991.db2.gz OZFUKOGXSXSIJJ-QMMMGPOBSA-N 1 2 221.260 0.853 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CC1(C)COC1 ZINC000611208859 359111808 /nfs/dbraw/zinc/11/18/08/359111808.db2.gz UARRUAJRKPWWNH-SNVBAGLBSA-N 1 2 245.319 0.533 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC1(C)COC1 ZINC000611208859 359111812 /nfs/dbraw/zinc/11/18/12/359111812.db2.gz UARRUAJRKPWWNH-SNVBAGLBSA-N 1 2 245.319 0.533 20 0 BCADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)n1cccn1 ZINC000070651594 359061486 /nfs/dbraw/zinc/06/14/86/359061486.db2.gz WLCKLUJNZYMRBZ-QMMMGPOBSA-N 1 2 219.248 0.484 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)CO ZINC000611235511 359187886 /nfs/dbraw/zinc/18/78/86/359187886.db2.gz IRSPHAGZQAUTNW-ZJUUUORDSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)CO ZINC000611235511 359187895 /nfs/dbraw/zinc/18/78/95/359187895.db2.gz IRSPHAGZQAUTNW-ZJUUUORDSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)CO ZINC000611236278 359189838 /nfs/dbraw/zinc/18/98/38/359189838.db2.gz DSHMPNLZWBLEGI-ZJUUUORDSA-N 1 2 233.308 0.125 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)CO ZINC000611236278 359189840 /nfs/dbraw/zinc/18/98/40/359189840.db2.gz DSHMPNLZWBLEGI-ZJUUUORDSA-N 1 2 233.308 0.125 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000074730850 359126337 /nfs/dbraw/zinc/12/63/37/359126337.db2.gz JHTBDLNETBKLCA-UHFFFAOYSA-N 1 2 248.282 0.803 20 0 BCADLO CCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000074785245 359128832 /nfs/dbraw/zinc/12/88/32/359128832.db2.gz XJLXYJFFDAPTCH-UHFFFAOYSA-N 1 2 215.278 0.048 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC2CCCC2)C1 ZINC000074902130 359133491 /nfs/dbraw/zinc/13/34/91/359133491.db2.gz UVUWBTLMUNDXFD-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)NC2CCCC2)C1 ZINC000074902130 359133497 /nfs/dbraw/zinc/13/34/97/359133497.db2.gz UVUWBTLMUNDXFD-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCSC ZINC000611210219 359142331 /nfs/dbraw/zinc/14/23/31/359142331.db2.gz VHSJMGKYVOJEGK-VIFPVBQESA-N 1 2 235.349 0.859 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCSC ZINC000611210219 359142336 /nfs/dbraw/zinc/14/23/36/359142336.db2.gz VHSJMGKYVOJEGK-VIFPVBQESA-N 1 2 235.349 0.859 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCO1 ZINC000246658047 359154844 /nfs/dbraw/zinc/15/48/44/359154844.db2.gz RRKFXLNPVRRAED-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCO1 ZINC000246658047 359154850 /nfs/dbraw/zinc/15/48/50/359154850.db2.gz RRKFXLNPVRRAED-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000246872715 359171291 /nfs/dbraw/zinc/17/12/91/359171291.db2.gz FQERIRDGJRORJX-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000246872715 359171292 /nfs/dbraw/zinc/17/12/92/359171292.db2.gz FQERIRDGJRORJX-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000247926778 359250274 /nfs/dbraw/zinc/25/02/74/359250274.db2.gz BBZZJRNCYRMUFD-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000247926778 359250280 /nfs/dbraw/zinc/25/02/80/359250280.db2.gz BBZZJRNCYRMUFD-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)[C@@H](c2ccccc2)CO1 ZINC000247227010 359202302 /nfs/dbraw/zinc/20/23/02/359202302.db2.gz CZXLFSBSZJMLQU-ZYHUDNBSSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)[C@@H](c2ccccc2)CO1 ZINC000247227010 359202307 /nfs/dbraw/zinc/20/23/07/359202307.db2.gz CZXLFSBSZJMLQU-ZYHUDNBSSA-N 1 2 234.299 0.934 20 0 BCADLO c1[nH]c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000247285798 359207764 /nfs/dbraw/zinc/20/77/64/359207764.db2.gz YVNUDSFIKSYXBU-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO c1c[nH+]c(CN2CCO[C@@H]([C@H]3CCCO3)C2)[nH]1 ZINC000247460527 359221900 /nfs/dbraw/zinc/22/19/00/359221900.db2.gz UJLOUXYVFLVMFC-GHMZBOCLSA-N 1 2 237.303 0.790 20 0 BCADLO CCOCC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177485 359293287 /nfs/dbraw/zinc/29/32/87/359293287.db2.gz RIFAMMKYLBUGGM-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO CCOCC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177485 359293288 /nfs/dbraw/zinc/29/32/88/359293288.db2.gz RIFAMMKYLBUGGM-RBZYPMLTSA-N 1 2 219.350 0.864 20 0 BCADLO Nc1cccnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304104 359357306 /nfs/dbraw/zinc/35/73/06/359357306.db2.gz ATORGXFQBVZHQA-QMMMGPOBSA-N 1 2 243.270 0.215 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC1(C)C ZINC000623447064 359338798 /nfs/dbraw/zinc/33/87/98/359338798.db2.gz BMNNXAGLJRCEES-VHSXEESVSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC1(C)C ZINC000623447064 359338803 /nfs/dbraw/zinc/33/88/03/359338803.db2.gz BMNNXAGLJRCEES-VHSXEESVSA-N 1 2 241.335 0.415 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611730546 359436382 /nfs/dbraw/zinc/43/63/82/359436382.db2.gz MWFUSXSQMDJOOZ-ZCFIWIBFSA-N 1 2 229.230 0.896 20 0 BCADLO O=C(NCC(F)F)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611730546 359436387 /nfs/dbraw/zinc/43/63/87/359436387.db2.gz MWFUSXSQMDJOOZ-ZCFIWIBFSA-N 1 2 229.230 0.896 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611679175 359416688 /nfs/dbraw/zinc/41/66/88/359416688.db2.gz VXUPZSDPBZBBGW-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611679175 359416690 /nfs/dbraw/zinc/41/66/90/359416690.db2.gz VXUPZSDPBZBBGW-MRVPVSSYSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@]12COC[C@]1(C)CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000618026978 359429997 /nfs/dbraw/zinc/42/99/97/359429997.db2.gz KYQSSARAONLPQW-BETUJISGSA-N 1 2 249.314 0.768 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501963 359385208 /nfs/dbraw/zinc/38/52/08/359385208.db2.gz LEPHFHKVYHEUBE-HRDYMLBCSA-N 1 2 245.298 0.510 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501963 359385211 /nfs/dbraw/zinc/38/52/11/359385211.db2.gz LEPHFHKVYHEUBE-HRDYMLBCSA-N 1 2 245.298 0.510 20 0 BCADLO CC/C=C\CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000580435856 359546736 /nfs/dbraw/zinc/54/67/36/359546736.db2.gz JATAPTXWDGKWEX-ARJAWSKDSA-N 1 2 236.319 0.942 20 0 BCADLO CC/C=C\CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000580435856 359546740 /nfs/dbraw/zinc/54/67/40/359546740.db2.gz JATAPTXWDGKWEX-ARJAWSKDSA-N 1 2 236.319 0.942 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000332959021 359531589 /nfs/dbraw/zinc/53/15/89/359531589.db2.gz PSQUNKBNMWXREA-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H](CO)O1 ZINC000191532032 359573341 /nfs/dbraw/zinc/57/33/41/359573341.db2.gz GZVUYFVMBOUALE-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H](CO)O1 ZINC000191532032 359573346 /nfs/dbraw/zinc/57/33/46/359573346.db2.gz GZVUYFVMBOUALE-ZYHUDNBSSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1O ZINC000306320935 359606388 /nfs/dbraw/zinc/60/63/88/359606388.db2.gz WWFUSSXWKUEALY-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1O ZINC000306320935 359606389 /nfs/dbraw/zinc/60/63/89/359606389.db2.gz WWFUSSXWKUEALY-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO Cc1[nH]c(C(=O)NCC(C)(C)CO)c[nH+]1 ZINC000082268155 491142100 /nfs/dbraw/zinc/14/21/00/491142100.db2.gz FBKSFUXYXWOYKI-UHFFFAOYSA-N 1 2 211.265 0.466 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000628508126 359797536 /nfs/dbraw/zinc/79/75/36/359797536.db2.gz OTLFJTZKCQWWFI-AOOOYVTPSA-N 1 2 205.261 0.752 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351953007 366547748 /nfs/dbraw/zinc/54/77/48/366547748.db2.gz ZYBFGTODQZVNDU-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351953007 366547753 /nfs/dbraw/zinc/54/77/53/366547753.db2.gz ZYBFGTODQZVNDU-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO C[C@H](CO)CCCNC(=O)Cc1c[nH+]cn1C ZINC000578390637 366550884 /nfs/dbraw/zinc/55/08/84/366550884.db2.gz WSRAWYOYAOHXFE-JTQLQIEISA-N 1 2 239.319 0.487 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1(CO)CC1 ZINC000617899033 359827874 /nfs/dbraw/zinc/82/78/74/359827874.db2.gz OBEQTEJHQIBLCX-SECBINFHSA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C1(CO)CC1 ZINC000617899033 359827880 /nfs/dbraw/zinc/82/78/80/359827880.db2.gz OBEQTEJHQIBLCX-SECBINFHSA-N 1 2 237.303 0.538 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612448316 359856257 /nfs/dbraw/zinc/85/62/57/359856257.db2.gz VKHIKFQRPMDDQW-RKDXNWHRSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612448316 359856262 /nfs/dbraw/zinc/85/62/62/359856262.db2.gz VKHIKFQRPMDDQW-RKDXNWHRSA-N 1 2 237.303 0.259 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451112753 202351900 /nfs/dbraw/zinc/35/19/00/202351900.db2.gz IPHPSYXCBQOWTN-GFCCVEGCSA-N 1 2 246.326 0.963 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112753 202351904 /nfs/dbraw/zinc/35/19/04/202351904.db2.gz IPHPSYXCBQOWTN-GFCCVEGCSA-N 1 2 246.326 0.963 20 0 BCADLO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060946 202342091 /nfs/dbraw/zinc/34/20/91/202342091.db2.gz KMBHUKZNHGQMFU-MDZLAQPJSA-N 1 2 249.362 0.967 20 0 BCADLO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060946 202342095 /nfs/dbraw/zinc/34/20/95/202342095.db2.gz KMBHUKZNHGQMFU-MDZLAQPJSA-N 1 2 249.362 0.967 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)C1CC1 ZINC000612454788 359848884 /nfs/dbraw/zinc/84/88/84/359848884.db2.gz HQOOVQPMUJCGRH-GHMZBOCLSA-N 1 2 249.314 0.507 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612459335 359850801 /nfs/dbraw/zinc/85/08/01/359850801.db2.gz QLWQGFKWNQAIPC-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612459335 359850809 /nfs/dbraw/zinc/85/08/09/359850809.db2.gz QLWQGFKWNQAIPC-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612459336 359851027 /nfs/dbraw/zinc/85/10/27/359851027.db2.gz QLWQGFKWNQAIPC-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612459336 359851034 /nfs/dbraw/zinc/85/10/34/359851034.db2.gz QLWQGFKWNQAIPC-IUCAKERBSA-N 1 2 237.303 0.402 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451119888 202357015 /nfs/dbraw/zinc/35/70/15/202357015.db2.gz HRSRPIJTHKSZMU-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451119888 202357019 /nfs/dbraw/zinc/35/70/19/202357019.db2.gz HRSRPIJTHKSZMU-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1COC1 ZINC000451121249 202357810 /nfs/dbraw/zinc/35/78/10/202357810.db2.gz 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NRTDDIYNOWHBLS-CYBMUJFWSA-N 1 2 248.330 0.967 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cnccn1 ZINC000578591024 366603530 /nfs/dbraw/zinc/60/35/30/366603530.db2.gz NRTDDIYNOWHBLS-CYBMUJFWSA-N 1 2 248.330 0.967 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000578611620 366607750 /nfs/dbraw/zinc/60/77/50/366607750.db2.gz USBJBRXFEWYRMS-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000578611620 366607760 /nfs/dbraw/zinc/60/77/60/366607760.db2.gz USBJBRXFEWYRMS-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@H+](CC1(CS(C)(=O)=O)CC1)C1COC1 ZINC000451284311 202392842 /nfs/dbraw/zinc/39/28/42/202392842.db2.gz IQOYETMKGRZNDW-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO CC[N@@H+](CC1(CS(C)(=O)=O)CC1)C1COC1 ZINC000451284311 202392844 /nfs/dbraw/zinc/39/28/44/202392844.db2.gz IQOYETMKGRZNDW-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H]2C1)c1c[nH+]cn1C ZINC000628516001 359937572 /nfs/dbraw/zinc/93/75/72/359937572.db2.gz RBDFMOWABBYXRV-JFGNBEQYSA-N 1 2 248.330 0.501 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cnc(N)s1 ZINC000088094666 359937721 /nfs/dbraw/zinc/93/77/21/359937721.db2.gz FCRAALFBACGKFN-YUMQZZPRSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cnc(N)s1 ZINC000088094666 359937724 /nfs/dbraw/zinc/93/77/24/359937724.db2.gz FCRAALFBACGKFN-YUMQZZPRSA-N 1 2 243.332 0.307 20 0 BCADLO O=C(Nc1ccc2n[nH]cc2c1)[C@@H]1COCC[NH2+]1 ZINC000088358567 359948440 /nfs/dbraw/zinc/94/84/40/359948440.db2.gz CZBITRAUHVWQLY-NSHDSACASA-N 1 2 246.270 0.490 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000612638758 359961129 /nfs/dbraw/zinc/96/11/29/359961129.db2.gz VVYXXBFQJPKPMV-ATZCPNFKSA-N 1 2 235.287 0.085 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1ccc(OC)nc1 ZINC000088591809 359969345 /nfs/dbraw/zinc/96/93/45/359969345.db2.gz TZTGVHVFHMWXEC-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO Cc1nn(C)c(C)c1CC(=O)NCc1c[nH+]c[nH]1 ZINC000088759422 359977566 /nfs/dbraw/zinc/97/75/66/359977566.db2.gz IROGEZGXIUNLKM-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1nn(C)c(C)c1CC(=O)NCc1c[nH]c[nH+]1 ZINC000088759422 359977568 /nfs/dbraw/zinc/97/75/68/359977568.db2.gz IROGEZGXIUNLKM-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1c[nH+]c[nH]1 ZINC000088759405 359977674 /nfs/dbraw/zinc/97/76/74/359977674.db2.gz VRROJMSYGOUBHZ-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1c[nH]c[nH+]1 ZINC000088759405 359977675 /nfs/dbraw/zinc/97/76/75/359977675.db2.gz VRROJMSYGOUBHZ-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089680202 360034616 /nfs/dbraw/zinc/03/46/16/360034616.db2.gz VWVQJXDZQYRZAC-JTQLQIEISA-N 1 2 240.347 0.604 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009591 360054220 /nfs/dbraw/zinc/05/42/20/360054220.db2.gz HYZFRQFRKSDLCS-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009591 360054222 /nfs/dbraw/zinc/05/42/22/360054222.db2.gz HYZFRQFRKSDLCS-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612793419 360060023 /nfs/dbraw/zinc/06/00/23/360060023.db2.gz JKVABAMUUCHAIY-GXSJLCMTSA-N 1 2 249.314 0.929 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612793019 360060348 /nfs/dbraw/zinc/06/03/48/360060348.db2.gz CBCSJYOBSICHOV-WPRPVWTQSA-N 1 2 249.314 0.998 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612793019 360060349 /nfs/dbraw/zinc/06/03/49/360060349.db2.gz CBCSJYOBSICHOV-WPRPVWTQSA-N 1 2 249.314 0.998 20 0 BCADLO O=C(CO)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212071 360108420 /nfs/dbraw/zinc/10/84/20/360108420.db2.gz NCTURYSCXSNCSD-UHFFFAOYSA-N 1 2 231.255 0.481 20 0 BCADLO COC(=O)c1cncc(NCCn2cc[nH+]c2)n1 ZINC000091417477 360114666 /nfs/dbraw/zinc/11/46/66/360114666.db2.gz FPDXHTYFSGVZLF-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091588444 360121301 /nfs/dbraw/zinc/12/13/01/360121301.db2.gz FEFVEWKOXFYWPG-OCAPTIKFSA-N 1 2 210.281 0.861 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612860915 360126287 /nfs/dbraw/zinc/12/62/87/360126287.db2.gz NQZGEZGMDQYXMA-RKDXNWHRSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612860915 360126291 /nfs/dbraw/zinc/12/62/91/360126291.db2.gz NQZGEZGMDQYXMA-RKDXNWHRSA-N 1 2 235.287 0.420 20 0 BCADLO CCSCC[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000091836648 360131848 /nfs/dbraw/zinc/13/18/48/360131848.db2.gz ZMJVQMMUQHSXGK-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO CCSCC[N@H+]1CCN(CCOC)C(=O)C1 ZINC000091836648 360131850 /nfs/dbraw/zinc/13/18/50/360131850.db2.gz ZMJVQMMUQHSXGK-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000092229381 360156513 /nfs/dbraw/zinc/15/65/13/360156513.db2.gz ZAHSZVUSEUTKAX-DTWKUNHWSA-N 1 2 200.282 0.219 20 0 BCADLO CC[C@H](C)C[N@H+]1CCOC[C@@H]1C(N)=O ZINC000092229381 360156516 /nfs/dbraw/zinc/15/65/16/360156516.db2.gz ZAHSZVUSEUTKAX-DTWKUNHWSA-N 1 2 200.282 0.219 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000093278941 360224793 /nfs/dbraw/zinc/22/47/93/360224793.db2.gz WLDFEVHPAPUVCN-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000093278941 360224796 /nfs/dbraw/zinc/22/47/96/360224796.db2.gz WLDFEVHPAPUVCN-GFCCVEGCSA-N 1 2 248.330 0.997 20 0 BCADLO NC(=O)CN(Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000093358505 360236150 /nfs/dbraw/zinc/23/61/50/360236150.db2.gz DFUQTGBCTRKYNS-UHFFFAOYSA-N 1 2 244.298 0.897 20 0 BCADLO NC(=O)CN(Cc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000093358505 360236154 /nfs/dbraw/zinc/23/61/54/360236154.db2.gz DFUQTGBCTRKYNS-UHFFFAOYSA-N 1 2 244.298 0.897 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@@H]1O ZINC000093483925 360248283 /nfs/dbraw/zinc/24/82/83/360248283.db2.gz XHNHQBFAPXQPPV-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1O ZINC000093483925 360248285 /nfs/dbraw/zinc/24/82/85/360248285.db2.gz XHNHQBFAPXQPPV-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093588846 360263244 /nfs/dbraw/zinc/26/32/44/360263244.db2.gz YHHNJSSKFVPYLO-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000093588846 360263250 /nfs/dbraw/zinc/26/32/50/360263250.db2.gz YHHNJSSKFVPYLO-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCOC1 ZINC000613006737 360269159 /nfs/dbraw/zinc/26/91/59/360269159.db2.gz BGLJBDRNSXWPHX-GIPNMCIBSA-N 1 2 249.314 0.819 20 0 BCADLO C[C@]1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000613008048 360270322 /nfs/dbraw/zinc/27/03/22/360270322.db2.gz IPVGPESNZWGWTR-ZANVPECISA-N 1 2 249.314 0.810 20 0 BCADLO C[C@]1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000613008048 360270328 /nfs/dbraw/zinc/27/03/28/360270328.db2.gz IPVGPESNZWGWTR-ZANVPECISA-N 1 2 249.314 0.810 20 0 BCADLO COC(=O)CCC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000096630413 360351016 /nfs/dbraw/zinc/35/10/16/360351016.db2.gz PVKFLVICXSMCRL-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO COC(=O)CCC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000096630413 360351022 /nfs/dbraw/zinc/35/10/22/360351022.db2.gz PVKFLVICXSMCRL-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCOCCO ZINC000096731004 360352745 /nfs/dbraw/zinc/35/27/45/360352745.db2.gz PJLWFVFBDJEMKK-LLVKDONJSA-N 1 2 245.319 0.413 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@H+]1CCOCCO ZINC000096731004 360352749 /nfs/dbraw/zinc/35/27/49/360352749.db2.gz PJLWFVFBDJEMKK-LLVKDONJSA-N 1 2 245.319 0.413 20 0 BCADLO Cc1cnn(CC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000058842314 360360943 /nfs/dbraw/zinc/36/09/43/360360943.db2.gz RJVBYTCSQFOOCE-LLVKDONJSA-N 1 2 247.302 0.593 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613132312 360401728 /nfs/dbraw/zinc/40/17/28/360401728.db2.gz SRLSOAATOWDHHB-QMMMGPOBSA-N 1 2 235.287 0.610 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613132312 360401731 /nfs/dbraw/zinc/40/17/31/360401731.db2.gz SRLSOAATOWDHHB-QMMMGPOBSA-N 1 2 235.287 0.610 20 0 BCADLO CC(C)(C(=O)N1CC(C)(O)C1)c1c[nH+]c[nH]1 ZINC000622032362 370669624 /nfs/dbraw/zinc/66/96/24/370669624.db2.gz HDBMNTKWIICLER-UHFFFAOYSA-N 1 2 223.276 0.281 20 0 BCADLO COc1cc(NC(=O)Cc2[nH]c[nH+]c2C)[nH]n1 ZINC000628628708 360585318 /nfs/dbraw/zinc/58/53/18/360585318.db2.gz VLMZSDQEADJVSS-UHFFFAOYSA-N 1 2 235.247 0.631 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N(C1CC1)C1CC1 ZINC000628814154 360677658 /nfs/dbraw/zinc/67/76/58/360677658.db2.gz CPLVXABJJODXSH-LLVKDONJSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N(C1CC1)C1CC1 ZINC000628814154 360677663 /nfs/dbraw/zinc/67/76/63/360677663.db2.gz CPLVXABJJODXSH-LLVKDONJSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(CCF)CC1 ZINC000628912471 360745162 /nfs/dbraw/zinc/74/51/62/360745162.db2.gz DQAMVBSRDWIELF-SNVBAGLBSA-N 1 2 244.310 0.573 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(CCF)CC1 ZINC000628912471 360745166 /nfs/dbraw/zinc/74/51/66/360745166.db2.gz DQAMVBSRDWIELF-SNVBAGLBSA-N 1 2 244.310 0.573 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccoc1 ZINC000628914878 360749034 /nfs/dbraw/zinc/74/90/34/360749034.db2.gz NLPGKSRQEZIMCF-LLVKDONJSA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccoc1 ZINC000628914878 360749036 /nfs/dbraw/zinc/74/90/36/360749036.db2.gz NLPGKSRQEZIMCF-LLVKDONJSA-N 1 2 238.287 0.269 20 0 BCADLO Cc1ccncc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916364 360751245 /nfs/dbraw/zinc/75/12/45/360751245.db2.gz HOXFTULYEPYOJO-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccncc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916364 360751250 /nfs/dbraw/zinc/75/12/50/360751250.db2.gz HOXFTULYEPYOJO-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC(F)F ZINC000628918704 360751552 /nfs/dbraw/zinc/75/15/52/360751552.db2.gz FDFJYXHTFSCURL-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC(F)F ZINC000628918704 360751555 /nfs/dbraw/zinc/75/15/55/360751555.db2.gz FDFJYXHTFSCURL-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO Cc1ccncc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916359 360751564 /nfs/dbraw/zinc/75/15/64/360751564.db2.gz HOXFTULYEPYOJO-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccncc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916359 360751568 /nfs/dbraw/zinc/75/15/68/360751568.db2.gz HOXFTULYEPYOJO-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628916589 360751589 /nfs/dbraw/zinc/75/15/89/360751589.db2.gz FQFFRJWDCQROEL-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628916589 360751591 /nfs/dbraw/zinc/75/15/91/360751591.db2.gz FQFFRJWDCQROEL-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000628916003 360751645 /nfs/dbraw/zinc/75/16/45/360751645.db2.gz AZRTUJUQFMANMI-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000628916003 360751649 /nfs/dbraw/zinc/75/16/49/360751649.db2.gz AZRTUJUQFMANMI-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC1CC1 ZINC000628917318 360752793 /nfs/dbraw/zinc/75/27/93/360752793.db2.gz MPGYYUKAYOSRLX-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC1CC1 ZINC000628917318 360752798 /nfs/dbraw/zinc/75/27/98/360752798.db2.gz MPGYYUKAYOSRLX-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCO[C@H](CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922097 360755210 /nfs/dbraw/zinc/75/52/10/360755210.db2.gz VBYCIEDTRREQTB-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922097 360755212 /nfs/dbraw/zinc/75/52/12/360755212.db2.gz VBYCIEDTRREQTB-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628924086 360757022 /nfs/dbraw/zinc/75/70/22/360757022.db2.gz ZCRZSDFNPDWADI-VIFPVBQESA-N 1 2 200.282 0.089 20 0 BCADLO CC(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628924086 360757025 /nfs/dbraw/zinc/75/70/25/360757025.db2.gz ZCRZSDFNPDWADI-VIFPVBQESA-N 1 2 200.282 0.089 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923984 360757245 /nfs/dbraw/zinc/75/72/45/360757245.db2.gz XMTRMZDVVNFZIX-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923984 360757248 /nfs/dbraw/zinc/75/72/48/360757248.db2.gz XMTRMZDVVNFZIX-JTQLQIEISA-N 1 2 237.303 0.384 20 0 BCADLO CC(C)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628926153 360758603 /nfs/dbraw/zinc/75/86/03/360758603.db2.gz PRFMZOLGNHUXEH-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628926153 360758609 /nfs/dbraw/zinc/75/86/09/360758609.db2.gz PRFMZOLGNHUXEH-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ncc[nH]1 ZINC000309556599 491151417 /nfs/dbraw/zinc/15/14/17/491151417.db2.gz JWZIILADHSQLAY-SFYZADRCSA-N 1 2 228.271 0.535 20 0 BCADLO C/C=C\CNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000629036068 360802794 /nfs/dbraw/zinc/80/27/94/360802794.db2.gz FXNHMYSVUKGYOV-DOGVGXBMSA-N 1 2 225.336 0.315 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629089025 360872176 /nfs/dbraw/zinc/87/21/76/360872176.db2.gz MATPIZPUNHFQRM-WCQYABFASA-N 1 2 249.314 0.504 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000629069955 360859034 /nfs/dbraw/zinc/85/90/34/360859034.db2.gz BYDXZMLHZIYYEC-OCAPTIKFSA-N 1 2 209.249 0.219 20 0 BCADLO COCC[C@@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000309629278 491153122 /nfs/dbraw/zinc/15/31/22/491153122.db2.gz HFIZHTOVTRZLOX-SCZZXKLOSA-N 1 2 227.308 0.766 20 0 BCADLO CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)COC1 ZINC000634190413 361026692 /nfs/dbraw/zinc/02/66/92/361026692.db2.gz MEUUFKBZSZUMGG-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)COC1 ZINC000634192117 361048625 /nfs/dbraw/zinc/04/86/25/361048625.db2.gz WVRWOHJOYISISR-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO C/C=C/CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000629489197 361093462 /nfs/dbraw/zinc/09/34/62/361093462.db2.gz DKHUDRIRBHRTFX-HPOULIHZSA-N 1 2 234.259 0.449 20 0 BCADLO C/C=C/CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000629489197 361093464 /nfs/dbraw/zinc/09/34/64/361093464.db2.gz DKHUDRIRBHRTFX-HPOULIHZSA-N 1 2 234.259 0.449 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)NC3COC3)ccn12 ZINC000634259898 361145894 /nfs/dbraw/zinc/14/58/94/361145894.db2.gz FDPBQLMJIXDVQO-UHFFFAOYSA-N 1 2 231.255 0.771 20 0 BCADLO CC[C@@H]([NH2+]CC(C)(C)OC)C(=O)OC ZINC000158955878 361216607 /nfs/dbraw/zinc/21/66/07/361216607.db2.gz USWMBWLKQVHCFS-MRVPVSSYSA-N 1 2 203.282 0.953 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640483930 361273661 /nfs/dbraw/zinc/27/36/61/361273661.db2.gz YFCZTTKKXDDNTG-HKPALBBZSA-N 1 2 225.317 0.974 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640483930 361273666 /nfs/dbraw/zinc/27/36/66/361273666.db2.gz YFCZTTKKXDDNTG-HKPALBBZSA-N 1 2 225.317 0.974 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474623 361257069 /nfs/dbraw/zinc/25/70/69/361257069.db2.gz UQMAWIALLIKHBE-KWQFWETISA-N 1 2 223.276 0.589 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640474623 361257073 /nfs/dbraw/zinc/25/70/73/361257073.db2.gz UQMAWIALLIKHBE-KWQFWETISA-N 1 2 223.276 0.589 20 0 BCADLO COCc1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640482462 361269107 /nfs/dbraw/zinc/26/91/07/361269107.db2.gz JLENKOPRPUUYDP-LDYMZIIASA-N 1 2 240.328 0.856 20 0 BCADLO COCc1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640482462 361269110 /nfs/dbraw/zinc/26/91/10/361269110.db2.gz JLENKOPRPUUYDP-LDYMZIIASA-N 1 2 240.328 0.856 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000640486651 361272186 /nfs/dbraw/zinc/27/21/86/361272186.db2.gz NABBHWGMLVTCCX-BXKDBHETSA-N 1 2 236.319 0.600 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000640486651 361272194 /nfs/dbraw/zinc/27/21/94/361272194.db2.gz NABBHWGMLVTCCX-BXKDBHETSA-N 1 2 236.319 0.600 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)n[nH]1 ZINC000428307387 201006978 /nfs/dbraw/zinc/00/69/78/201006978.db2.gz UKHDGMATGCAZSQ-RKDXNWHRSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)n[nH]1 ZINC000428307387 201006981 /nfs/dbraw/zinc/00/69/81/201006981.db2.gz UKHDGMATGCAZSQ-RKDXNWHRSA-N 1 2 223.324 0.638 20 0 BCADLO CCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000579018485 366696806 /nfs/dbraw/zinc/69/68/06/366696806.db2.gz FHEFBIUGZVKJGX-JTQLQIEISA-N 1 2 237.303 0.818 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000428302849 201007993 /nfs/dbraw/zinc/00/79/93/201007993.db2.gz NYHSSTWXZKIZNV-BDAKNGLRSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000428302849 201007996 /nfs/dbraw/zinc/00/79/96/201007996.db2.gz NYHSSTWXZKIZNV-BDAKNGLRSA-N 1 2 223.324 0.638 20 0 BCADLO CC(C)(NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000579240434 366743826 /nfs/dbraw/zinc/74/38/26/366743826.db2.gz ONVGDZFCFSJGJJ-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO C[C@@H](CC(=O)N1C[C@H](O)C2(CC2)C1)n1cc[nH+]c1 ZINC000579239387 366744032 /nfs/dbraw/zinc/74/40/32/366744032.db2.gz TUTRFHKVOZZHKY-QWRGUYRKSA-N 1 2 249.314 0.818 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](CO)C(C)(C)C)[nH]1 ZINC000428393647 201012702 /nfs/dbraw/zinc/01/27/02/201012702.db2.gz OZZZPSKKCGHMRM-SECBINFHSA-N 1 2 226.324 0.952 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](CO)C(C)(C)C)[nH]1 ZINC000428393647 201012705 /nfs/dbraw/zinc/01/27/05/201012705.db2.gz OZZZPSKKCGHMRM-SECBINFHSA-N 1 2 226.324 0.952 20 0 BCADLO Cn1c2ccc(C[NH+]3CCOCC3)cc2oc1=O ZINC000428445043 201018251 /nfs/dbraw/zinc/01/82/51/201018251.db2.gz FQTRFLDYWPGVPD-UHFFFAOYSA-N 1 2 248.282 0.964 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000171077478 361319813 /nfs/dbraw/zinc/31/98/13/361319813.db2.gz WOESHYXHPIKOOQ-NSHDSACASA-N 1 2 249.314 0.821 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000171077478 361319817 /nfs/dbraw/zinc/31/98/17/361319817.db2.gz WOESHYXHPIKOOQ-NSHDSACASA-N 1 2 249.314 0.821 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@@H]1C ZINC000428479884 201024967 /nfs/dbraw/zinc/02/49/67/201024967.db2.gz JWSXIFVRTLTLCY-APPZFPTMSA-N 1 2 238.291 0.497 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@@H]1C ZINC000428479884 201024970 /nfs/dbraw/zinc/02/49/70/201024970.db2.gz JWSXIFVRTLTLCY-APPZFPTMSA-N 1 2 238.291 0.497 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000428496993 201026693 /nfs/dbraw/zinc/02/66/93/201026693.db2.gz QZQISRPDRUIPQM-UHFFFAOYSA-N 1 2 242.323 0.598 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000428496993 201026694 /nfs/dbraw/zinc/02/66/94/201026694.db2.gz QZQISRPDRUIPQM-UHFFFAOYSA-N 1 2 242.323 0.598 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000428312872 201008637 /nfs/dbraw/zinc/00/86/37/201008637.db2.gz XPRYSFDDSXNICK-MRVPVSSYSA-N 1 2 210.281 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000428312872 201008640 /nfs/dbraw/zinc/00/86/40/201008640.db2.gz XPRYSFDDSXNICK-MRVPVSSYSA-N 1 2 210.281 0.581 20 0 BCADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nnc(C)[nH]1 ZINC000428342298 201008819 /nfs/dbraw/zinc/00/88/19/201008819.db2.gz ACXPODZPOAADAK-QMMMGPOBSA-N 1 2 240.307 0.887 20 0 BCADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000428342298 201008822 /nfs/dbraw/zinc/00/88/22/201008822.db2.gz ACXPODZPOAADAK-QMMMGPOBSA-N 1 2 240.307 0.887 20 0 BCADLO O=S(=O)(CC1CCC1)NCc1c[nH+]c[nH]1 ZINC000379712529 361347390 /nfs/dbraw/zinc/34/73/90/361347390.db2.gz DVXHPURCERIIED-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO O=S(=O)(CC1CCC1)NCc1c[nH]c[nH+]1 ZINC000379712529 361347392 /nfs/dbraw/zinc/34/73/92/361347392.db2.gz DVXHPURCERIIED-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CCC1 ZINC000448449883 201041987 /nfs/dbraw/zinc/04/19/87/201041987.db2.gz XZZNNYFVQPPBOK-NSHDSACASA-N 1 2 238.331 0.886 20 0 BCADLO CC(C)n1cc(C[N@@H+](CCO)C[C@H](C)O)nn1 ZINC000428947368 201051060 /nfs/dbraw/zinc/05/10/60/201051060.db2.gz OEXIVNJJYCZKKH-JTQLQIEISA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)n1cc(C[N@H+](CCO)C[C@H](C)O)nn1 ZINC000428947368 201051064 /nfs/dbraw/zinc/05/10/64/201051064.db2.gz OEXIVNJJYCZKKH-JTQLQIEISA-N 1 2 242.323 0.034 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(C)no1 ZINC000429137657 201070585 /nfs/dbraw/zinc/07/05/85/201070585.db2.gz BSTJKMVNGKRFFE-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)no1 ZINC000429137657 201070589 /nfs/dbraw/zinc/07/05/89/201070589.db2.gz BSTJKMVNGKRFFE-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000429128409 201071422 /nfs/dbraw/zinc/07/14/22/201071422.db2.gz PAHLKUYGAQDYEL-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000429128409 201071424 /nfs/dbraw/zinc/07/14/24/201071424.db2.gz PAHLKUYGAQDYEL-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCC[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000429124227 201071613 /nfs/dbraw/zinc/07/16/13/201071613.db2.gz ZFBCSGVPFJNKJD-LURJTMIESA-N 1 2 228.214 0.107 20 0 BCADLO CCC[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000429124227 201071615 /nfs/dbraw/zinc/07/16/15/201071615.db2.gz ZFBCSGVPFJNKJD-LURJTMIESA-N 1 2 228.214 0.107 20 0 BCADLO CCNC(=O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275691 363768200 /nfs/dbraw/zinc/76/82/00/363768200.db2.gz MPFDTXYGAXFYLZ-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO CCc1nc(C)c(C[N@H+](CC)CC(N)=O)o1 ZINC000428944743 201053062 /nfs/dbraw/zinc/05/30/62/201053062.db2.gz VBXQDNUCWARUTK-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCc1nc(C)c(C[N@@H+](CC)CC(N)=O)o1 ZINC000428944743 201053064 /nfs/dbraw/zinc/05/30/64/201053064.db2.gz VBXQDNUCWARUTK-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCn1nccc1C[N@H+](C)CC(=O)NC ZINC000428993345 201056797 /nfs/dbraw/zinc/05/67/97/201056797.db2.gz NMSMLEFIPRCRQY-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO CCn1nccc1C[N@@H+](C)CC(=O)NC ZINC000428993345 201056800 /nfs/dbraw/zinc/05/68/00/201056800.db2.gz NMSMLEFIPRCRQY-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428994999 201057114 /nfs/dbraw/zinc/05/71/14/201057114.db2.gz QHRGPFXPKXOONM-RKDXNWHRSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428994999 201057118 /nfs/dbraw/zinc/05/71/18/201057118.db2.gz QHRGPFXPKXOONM-RKDXNWHRSA-N 1 2 210.281 0.458 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cncc(OC)c1 ZINC000429148516 201073286 /nfs/dbraw/zinc/07/32/86/201073286.db2.gz DWRNIYQLHCAXLB-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cncc(OC)c1 ZINC000429148516 201073289 /nfs/dbraw/zinc/07/32/89/201073289.db2.gz DWRNIYQLHCAXLB-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO OC[C@H]1CCCC[N@@H+]1Cc1cnns1 ZINC000306636167 361388174 /nfs/dbraw/zinc/38/81/74/361388174.db2.gz AXNHPJHHFUZFHM-MRVPVSSYSA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@H]1CCCC[N@H+]1Cc1cnns1 ZINC000306636167 361388180 /nfs/dbraw/zinc/38/81/80/361388180.db2.gz AXNHPJHHFUZFHM-MRVPVSSYSA-N 1 2 213.306 0.885 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccn1C ZINC000614344100 363789152 /nfs/dbraw/zinc/78/91/52/363789152.db2.gz UGBUCRNREYTXRT-UHFFFAOYSA-N 1 2 209.293 0.593 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccn1C ZINC000614344100 363789158 /nfs/dbraw/zinc/78/91/58/363789158.db2.gz UGBUCRNREYTXRT-UHFFFAOYSA-N 1 2 209.293 0.593 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000614344164 363789463 /nfs/dbraw/zinc/78/94/63/363789463.db2.gz VSENACGHFBVLDD-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000614344164 363789467 /nfs/dbraw/zinc/78/94/67/363789467.db2.gz VSENACGHFBVLDD-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CCCCNC(=O)C[N@H+](CCC)CC(N)=O ZINC000429163669 201075683 /nfs/dbraw/zinc/07/56/83/201075683.db2.gz NVJIEDQGNNIGPM-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCCNC(=O)C[N@@H+](CCC)CC(N)=O ZINC000429163669 201075686 /nfs/dbraw/zinc/07/56/86/201075686.db2.gz NVJIEDQGNNIGPM-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000579324997 366759897 /nfs/dbraw/zinc/75/98/97/366759897.db2.gz DARLUYQXLKXCJJ-DTWKUNHWSA-N 1 2 240.307 0.432 20 0 BCADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1n[nH]c(=O)[nH]1 ZINC000429317029 201098413 /nfs/dbraw/zinc/09/84/13/201098413.db2.gz KBBJQJLIEKNTBR-RNFRBKRXSA-N 1 2 226.280 0.244 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000579391845 366776716 /nfs/dbraw/zinc/77/67/16/366776716.db2.gz DSUQGTIRMFENJQ-ZMLRMANQSA-N 1 2 249.314 0.192 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000579418904 366778433 /nfs/dbraw/zinc/77/84/33/366778433.db2.gz WVVJBPVATJMLHW-UHFFFAOYSA-N 1 2 212.297 0.970 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000579418904 366778438 /nfs/dbraw/zinc/77/84/38/366778438.db2.gz WVVJBPVATJMLHW-UHFFFAOYSA-N 1 2 212.297 0.970 20 0 BCADLO C[C@@H]1CCN(Cc2[nH]cc[nH+]2)CC[S@]1=O ZINC000429557859 201116274 /nfs/dbraw/zinc/11/62/74/201116274.db2.gz IBXWPQQDGIBSIY-RFAUZJTJSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn(C)c2)CC[S@@]1=O ZINC000429556518 201113839 /nfs/dbraw/zinc/11/38/39/201113839.db2.gz DWHSTHPJNDBVNQ-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CC[S@@]1=O ZINC000429556518 201113843 /nfs/dbraw/zinc/11/38/43/201113843.db2.gz DWHSTHPJNDBVNQ-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cncs1 ZINC000430132148 201146993 /nfs/dbraw/zinc/14/69/93/201146993.db2.gz ZLPOVVNXJDXFJP-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cncs1 ZINC000430132148 201146995 /nfs/dbraw/zinc/14/69/95/201146995.db2.gz ZLPOVVNXJDXFJP-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO O=S(=O)(CC1CCC1)NCc1[nH]cc[nH+]1 ZINC000379719687 361524101 /nfs/dbraw/zinc/52/41/01/361524101.db2.gz XSDZHSWESZIMFU-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO O=C(NCCF)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614373288 363796173 /nfs/dbraw/zinc/79/61/73/363796173.db2.gz KEUMXKBFQFKDMM-SSDOTTSWSA-N 1 2 211.240 0.600 20 0 BCADLO O=C(NCCF)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614373288 363796175 /nfs/dbraw/zinc/79/61/75/363796175.db2.gz KEUMXKBFQFKDMM-SSDOTTSWSA-N 1 2 211.240 0.600 20 0 BCADLO C[C@H]1C[N@H+](CCOC(C)(C)C)CC(=O)N1 ZINC000448551669 201227371 /nfs/dbraw/zinc/22/73/71/201227371.db2.gz QRNKBAGRFHLVDD-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(C)(C)C)CC(=O)N1 ZINC000448551669 201227375 /nfs/dbraw/zinc/22/73/75/201227375.db2.gz QRNKBAGRFHLVDD-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCN(CCOCCO)c1[nH+]cccc1OC ZINC000379730226 361574052 /nfs/dbraw/zinc/57/40/52/361574052.db2.gz LSIKBQGPMIDHSN-UHFFFAOYSA-N 1 2 240.303 0.925 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542968 201226241 /nfs/dbraw/zinc/22/62/41/201226241.db2.gz PALPKRQKDNIVPO-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000434542968 201226244 /nfs/dbraw/zinc/22/62/44/201226244.db2.gz PALPKRQKDNIVPO-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO COCC[N@H+](C)Cc1ncnn1C(C)C ZINC000434543423 201225274 /nfs/dbraw/zinc/22/52/74/201225274.db2.gz HEMDBXPNVXLQPE-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO COCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000434543423 201225276 /nfs/dbraw/zinc/22/52/76/201225276.db2.gz HEMDBXPNVXLQPE-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000629689384 361622594 /nfs/dbraw/zinc/62/25/94/361622594.db2.gz BUFWEFKRMXKYFV-GWOFURMSSA-N 1 2 249.314 0.817 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CO2)n1cc[nH+]c1 ZINC000629703084 361637313 /nfs/dbraw/zinc/63/73/13/361637313.db2.gz ZCSHKZUXRYMCMX-VWYCJHECSA-N 1 2 235.287 0.834 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC000448552944 201254185 /nfs/dbraw/zinc/25/41/85/201254185.db2.gz ZZQIKEZWNYJWJA-GHMZBOCLSA-N 1 2 242.344 0.951 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC000448552944 201254187 /nfs/dbraw/zinc/25/41/87/201254187.db2.gz ZZQIKEZWNYJWJA-GHMZBOCLSA-N 1 2 242.344 0.951 20 0 BCADLO C[NH+]1CCN(C(=O)CCCC(=O)C2CC2)CC1 ZINC000448558833 201268518 /nfs/dbraw/zinc/26/85/18/201268518.db2.gz WAZZTCLWHHGTAP-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(NCCF)NCCn1cc[nH+]c1 ZINC000435866167 201291223 /nfs/dbraw/zinc/29/12/23/201291223.db2.gz GFFJTTGBHLAEHI-UHFFFAOYSA-N 1 2 200.217 0.152 20 0 BCADLO Cn1cc(C[NH+]2CCN(CC(F)F)CC2)cn1 ZINC000155031095 201300873 /nfs/dbraw/zinc/30/08/73/201300873.db2.gz JFHOHRCEFJMSQG-UHFFFAOYSA-N 1 2 244.289 0.803 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629764011 361688427 /nfs/dbraw/zinc/68/84/27/361688427.db2.gz MULVHYPGBPCAGT-DMDPSCGWSA-N 1 2 249.314 0.645 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000436437985 201326779 /nfs/dbraw/zinc/32/67/79/201326779.db2.gz YTWMZQMZPMPLPE-ZETCQYMHSA-N 1 2 231.259 0.567 20 0 BCADLO Cc1cc(N(CCO)C2CCOCC2)nc[nH+]1 ZINC000436463367 201327173 /nfs/dbraw/zinc/32/71/73/201327173.db2.gz IYPCTEKCYUQXQS-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COC ZINC000622082811 370698307 /nfs/dbraw/zinc/69/83/07/370698307.db2.gz SCIHKICQLKTCIE-MRVPVSSYSA-N 1 2 211.265 0.727 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619076079 363904281 /nfs/dbraw/zinc/90/42/81/363904281.db2.gz UGWZDWHQNQSXMJ-QWRGUYRKSA-N 1 2 249.314 0.382 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCN1 ZINC000614738790 363948278 /nfs/dbraw/zinc/94/82/78/363948278.db2.gz CNHLYZMFMRBWAY-VIFPVBQESA-N 1 2 222.292 0.715 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCN1 ZINC000614738790 363948279 /nfs/dbraw/zinc/94/82/79/363948279.db2.gz CNHLYZMFMRBWAY-VIFPVBQESA-N 1 2 222.292 0.715 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCOC1 ZINC000614658776 363917739 /nfs/dbraw/zinc/91/77/39/363917739.db2.gz YDINNDYWKQDJQW-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO Cc1nc([C@H](C)NC(=O)C2([NH+](C)C)CC2)n[nH]1 ZINC000614796024 363974252 /nfs/dbraw/zinc/97/42/52/363974252.db2.gz UAKRCHGYJSHGDI-ZETCQYMHSA-N 1 2 237.307 0.385 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614886259 364033667 /nfs/dbraw/zinc/03/36/67/364033667.db2.gz PDBKUWYFTWUOTP-SFYZADRCSA-N 1 2 225.267 0.989 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614886259 364033671 /nfs/dbraw/zinc/03/36/71/364033671.db2.gz PDBKUWYFTWUOTP-SFYZADRCSA-N 1 2 225.267 0.989 20 0 BCADLO COCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409267 364141769 /nfs/dbraw/zinc/14/17/69/364141769.db2.gz KGFJWJHMKRTKLW-UHFFFAOYSA-N 1 2 226.280 0.588 20 0 BCADLO O=C(N1CCCCC1)C1([NH+]2CCOCC2)CC1 ZINC000630389356 364106351 /nfs/dbraw/zinc/10/63/51/364106351.db2.gz UVJRUQLVWDFRRP-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO Cn1c(C(=O)NCCCn2cc[nH+]c2)c[nH]c1=O ZINC000630406000 364137462 /nfs/dbraw/zinc/13/74/62/364137462.db2.gz GVAYHOVLQDDCGC-UHFFFAOYSA-N 1 2 249.274 0.142 20 0 BCADLO CC1(NC(=O)NCCCn2cc[nH+]c2)COC1 ZINC000630405547 364138102 /nfs/dbraw/zinc/13/81/02/364138102.db2.gz KLFJVVWJENVASW-UHFFFAOYSA-N 1 2 238.291 0.361 20 0 BCADLO CC[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)O ZINC000622133861 370726773 /nfs/dbraw/zinc/72/67/73/370726773.db2.gz MWUURGFPYJLITQ-WPRPVWTQSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)O ZINC000622133861 370726778 /nfs/dbraw/zinc/72/67/78/370726778.db2.gz MWUURGFPYJLITQ-WPRPVWTQSA-N 1 2 225.292 0.775 20 0 BCADLO CCc1cc(N[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000232180782 541347227 /nfs/dbraw/zinc/34/72/27/541347227.db2.gz MXGJZNYXJCXAPE-QMMMGPOBSA-N 1 2 206.249 0.339 20 0 BCADLO O=C(Nc1nc[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000068287714 370769361 /nfs/dbraw/zinc/76/93/61/370769361.db2.gz VNGFQAVPTYMXBU-UHFFFAOYSA-N 1 2 228.215 0.705 20 0 BCADLO COCC[N@H+](C)Cc1cn([C@H]2CCOC2)nn1 ZINC000630601337 364321723 /nfs/dbraw/zinc/32/17/23/364321723.db2.gz WVJPZVDBOCUDQU-NSHDSACASA-N 1 2 240.307 0.318 20 0 BCADLO COCC[N@@H+](C)Cc1cn([C@H]2CCOC2)nn1 ZINC000630601337 364321728 /nfs/dbraw/zinc/32/17/28/364321728.db2.gz WVJPZVDBOCUDQU-NSHDSACASA-N 1 2 240.307 0.318 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000191781817 219936632 /nfs/dbraw/zinc/93/66/32/219936632.db2.gz KCMYQBKRELZNDT-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO CC[C@@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000630619001 364357341 /nfs/dbraw/zinc/35/73/41/364357341.db2.gz IVKKSLGWDLKPBB-LLVKDONJSA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000630619001 364357345 /nfs/dbraw/zinc/35/73/45/364357345.db2.gz IVKKSLGWDLKPBB-LLVKDONJSA-N 1 2 242.323 0.127 20 0 BCADLO CCC[N@@H+](CC(=O)NC)C[C@H](O)C(F)(F)F ZINC000181651836 366836281 /nfs/dbraw/zinc/83/62/81/366836281.db2.gz FGKPJWQPPRJJCG-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO CCC[N@H+](CC(=O)NC)C[C@H](O)C(F)(F)F ZINC000181651836 366836285 /nfs/dbraw/zinc/83/62/85/366836285.db2.gz FGKPJWQPPRJJCG-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO C[C@H](CO)[N@H+](C)CC(=O)OC(C)(C)C ZINC000135884554 364452179 /nfs/dbraw/zinc/45/21/79/364452179.db2.gz XBDCLQPYQBCYKT-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@H](CO)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000135884554 364452186 /nfs/dbraw/zinc/45/21/86/364452186.db2.gz XBDCLQPYQBCYKT-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO CCSCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000135020667 364424230 /nfs/dbraw/zinc/42/42/30/364424230.db2.gz LCZQOWYRZLEPOY-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO CCSCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000135020667 364424235 /nfs/dbraw/zinc/42/42/35/364424235.db2.gz LCZQOWYRZLEPOY-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000181915521 366854350 /nfs/dbraw/zinc/85/43/50/366854350.db2.gz GFSGQGPGPGWSDT-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000181915521 366854354 /nfs/dbraw/zinc/85/43/54/366854354.db2.gz GFSGQGPGPGWSDT-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)[C@H](C)O1 ZINC000630735942 364524601 /nfs/dbraw/zinc/52/46/01/364524601.db2.gz XZYFKOWMTSFPDC-OUAUKWLOSA-N 1 2 237.303 0.813 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@]12CCC[C@H]1OCC2 ZINC000630735044 364525604 /nfs/dbraw/zinc/52/56/04/364525604.db2.gz NBUINOVOMZAUSF-YPMHNXCESA-N 1 2 249.314 0.959 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1CSC1 ZINC000630743002 364530954 /nfs/dbraw/zinc/53/09/54/364530954.db2.gz LGBFEUSUNMLQCK-SECBINFHSA-N 1 2 244.360 0.186 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615188011 364616928 /nfs/dbraw/zinc/61/69/28/364616928.db2.gz JVRPLSKPUZUNTM-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615188011 364616932 /nfs/dbraw/zinc/61/69/32/364616932.db2.gz JVRPLSKPUZUNTM-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000630858255 364617734 /nfs/dbraw/zinc/61/77/34/364617734.db2.gz CFGUMIRZKZXXPF-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCOC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000630858255 364617740 /nfs/dbraw/zinc/61/77/40/364617740.db2.gz CFGUMIRZKZXXPF-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000623632606 364677374 /nfs/dbraw/zinc/67/73/74/364677374.db2.gz GUQZAUBUPUWJEV-KYZUINATSA-N 1 2 238.291 0.397 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCn2nncc2C1 ZINC000573578779 364868616 /nfs/dbraw/zinc/86/86/16/364868616.db2.gz VXRUCWDFKHSDJT-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1CC1 ZINC000573578154 364868689 /nfs/dbraw/zinc/86/86/89/364868689.db2.gz HUINVNLLUCTCII-UHFFFAOYSA-N 1 2 229.305 0.581 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1CC1 ZINC000573578154 364868695 /nfs/dbraw/zinc/86/86/95/364868695.db2.gz HUINVNLLUCTCII-UHFFFAOYSA-N 1 2 229.305 0.581 20 0 BCADLO CC[N@H+](CC(=O)NCc1cccnc1)C1COC1 ZINC000573773800 364912071 /nfs/dbraw/zinc/91/20/71/364912071.db2.gz OVWRLXBMBQLYDR-UHFFFAOYSA-N 1 2 249.314 0.419 20 0 BCADLO CC[N@@H+](CC(=O)NCc1cccnc1)C1COC1 ZINC000573773800 364912079 /nfs/dbraw/zinc/91/20/79/364912079.db2.gz OVWRLXBMBQLYDR-UHFFFAOYSA-N 1 2 249.314 0.419 20 0 BCADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CO ZINC000573829533 364925250 /nfs/dbraw/zinc/92/52/50/364925250.db2.gz CBQIYZJKAXUKGE-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[C@@H]1O ZINC000332845500 541397235 /nfs/dbraw/zinc/39/72/35/541397235.db2.gz QSXUADLSNLHDLG-KOLCDFICSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000332845500 541397239 /nfs/dbraw/zinc/39/72/39/541397239.db2.gz QSXUADLSNLHDLG-KOLCDFICSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[C@H]1O ZINC000332845502 541397252 /nfs/dbraw/zinc/39/72/52/541397252.db2.gz QSXUADLSNLHDLG-MWLCHTKSSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[C@H]1O ZINC000332845502 541397257 /nfs/dbraw/zinc/39/72/57/541397257.db2.gz QSXUADLSNLHDLG-MWLCHTKSSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1OCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000332849771 541397298 /nfs/dbraw/zinc/39/72/98/541397298.db2.gz SNPKGQUDEVTWDI-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO [NH3+][C@@H](C(=O)NC[C@@H]1CCCO1)c1cscn1 ZINC000573913008 364942330 /nfs/dbraw/zinc/94/23/30/364942330.db2.gz KAKCKTSJBAGMEA-IONNQARKSA-N 1 2 241.316 0.438 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccccn1 ZINC000336015236 541424167 /nfs/dbraw/zinc/42/41/67/541424167.db2.gz OKLNTDHHSPAYSH-UHFFFAOYSA-N 1 2 216.244 0.745 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000574051666 364977383 /nfs/dbraw/zinc/97/73/83/364977383.db2.gz LFCPYCZHFUVGNC-QWRGUYRKSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)n1cc[nH+]c1 ZINC000574212038 365012198 /nfs/dbraw/zinc/01/21/98/365012198.db2.gz GIJPJUDFVLHDIV-UXCLJVHYSA-N 1 2 235.287 0.595 20 0 BCADLO Cc1nnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)[nH]1 ZINC000574216831 365013224 /nfs/dbraw/zinc/01/32/24/365013224.db2.gz MBEOAMASYKHICO-SSDOTTSWSA-N 1 2 223.280 0.392 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n[nH]1 ZINC000574216831 365013229 /nfs/dbraw/zinc/01/32/29/365013229.db2.gz MBEOAMASYKHICO-SSDOTTSWSA-N 1 2 223.280 0.392 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000574385654 365049913 /nfs/dbraw/zinc/04/99/13/365049913.db2.gz SPFRBVJGVPLMKH-MRVPVSSYSA-N 1 2 239.275 0.030 20 0 BCADLO COc1cc(CNC(=O)Cn2cc[nH+]c2)ccn1 ZINC000574248949 365019232 /nfs/dbraw/zinc/01/92/32/365019232.db2.gz RNNCSUOKDJLSJX-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]C[C@@H](C)O)no1 ZINC000330363616 365086188 /nfs/dbraw/zinc/08/61/88/365086188.db2.gz LXMBSCWTVFHCRF-SSDOTTSWSA-N 1 2 213.281 0.838 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345763 193018834 /nfs/dbraw/zinc/01/88/34/193018834.db2.gz LLBFJMXYRBAJOI-HRDYMLBCSA-N 1 2 240.307 0.492 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345763 193018839 /nfs/dbraw/zinc/01/88/39/193018839.db2.gz LLBFJMXYRBAJOI-HRDYMLBCSA-N 1 2 240.307 0.492 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CC[S@](=O)C1 ZINC000574824294 365155247 /nfs/dbraw/zinc/15/52/47/365155247.db2.gz ZZTMIYGBVVMUSK-MUCOVADDSA-N 1 2 242.304 0.000 20 0 BCADLO C[C@@H](CNC(=O)C1CC1)[NH+]1CCN(C)CC1 ZINC000171136636 365171917 /nfs/dbraw/zinc/17/19/17/365171917.db2.gz JMJBIDVFOZHPPM-JTQLQIEISA-N 1 2 225.336 0.149 20 0 BCADLO CC(=O)NCCNc1cc[nH+]c2ccncc12 ZINC000444115497 193033972 /nfs/dbraw/zinc/03/39/72/193033972.db2.gz ZJOLIXXJDBXEBZ-UHFFFAOYSA-N 1 2 230.271 0.600 20 0 BCADLO CCc1nsc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000333542586 365194968 /nfs/dbraw/zinc/19/49/68/365194968.db2.gz LHQJGCNZNQSDRW-QMMMGPOBSA-N 1 2 242.348 0.313 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ncncc1Cl ZINC000443372857 193019627 /nfs/dbraw/zinc/01/96/27/193019627.db2.gz NGWMDMIMUCEWSZ-UHFFFAOYSA-N 1 2 237.650 0.783 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ncncc1Cl ZINC000443372857 193019630 /nfs/dbraw/zinc/01/96/30/193019630.db2.gz NGWMDMIMUCEWSZ-UHFFFAOYSA-N 1 2 237.650 0.783 20 0 BCADLO Cn1c[nH+]cc1Cn1c(=O)oc2cccnc21 ZINC000443365004 193019887 /nfs/dbraw/zinc/01/98/87/193019887.db2.gz QDLLVHXJJSALGW-UHFFFAOYSA-N 1 2 230.227 0.771 20 0 BCADLO CCN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000554896443 325740132 /nfs/dbraw/zinc/74/01/32/325740132.db2.gz PSAONXQERZLOOA-UHFFFAOYSA-N 1 2 217.219 0.997 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n[nH]1 ZINC000575184094 365232988 /nfs/dbraw/zinc/23/29/88/365232988.db2.gz CPNZYAMSEVYSPS-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000575184094 365232994 /nfs/dbraw/zinc/23/29/94/365232994.db2.gz CPNZYAMSEVYSPS-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1cc[nH]n1 ZINC000575760753 365356388 /nfs/dbraw/zinc/35/63/88/365356388.db2.gz XMAYIPGRLMBMSU-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)Cc1nncn1C ZINC000576172597 365510546 /nfs/dbraw/zinc/51/05/46/365510546.db2.gz RAKSFWOUMDFFEJ-UHFFFAOYSA-N 1 2 232.291 0.858 20 0 BCADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ncnn1C ZINC000182643639 366926261 /nfs/dbraw/zinc/92/62/61/366926261.db2.gz YKXDNTIMILKETJ-VIFPVBQESA-N 1 2 240.307 0.589 20 0 BCADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ncnn1C ZINC000182643639 366926263 /nfs/dbraw/zinc/92/62/63/366926263.db2.gz YKXDNTIMILKETJ-VIFPVBQESA-N 1 2 240.307 0.589 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1nnc2ccccn21 ZINC000182670960 366929460 /nfs/dbraw/zinc/92/94/60/366929460.db2.gz WTPMDWQSUNSAOR-RKDXNWHRSA-N 1 2 245.286 0.268 20 0 BCADLO CCOCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352171595 541480121 /nfs/dbraw/zinc/48/01/21/541480121.db2.gz RMHSSCMIMPSSEJ-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO CCOCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352171595 541480124 /nfs/dbraw/zinc/48/01/24/541480124.db2.gz RMHSSCMIMPSSEJ-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO COC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000354213020 541485926 /nfs/dbraw/zinc/48/59/26/541485926.db2.gz MOVDPYNODRNGFA-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000354213020 541485930 /nfs/dbraw/zinc/48/59/30/541485930.db2.gz MOVDPYNODRNGFA-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO Cn1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000354487078 541486840 /nfs/dbraw/zinc/48/68/40/541486840.db2.gz FQVICDXVYVQUMQ-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO Cn1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000354487078 541486843 /nfs/dbraw/zinc/48/68/43/541486843.db2.gz FQVICDXVYVQUMQ-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccnc(N)c1 ZINC000052727818 541514593 /nfs/dbraw/zinc/51/45/93/541514593.db2.gz HIVXCNDGIQQPKT-UHFFFAOYSA-N 1 2 222.292 0.232 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccnc(N)c1 ZINC000052727818 541514595 /nfs/dbraw/zinc/51/45/95/541514595.db2.gz HIVXCNDGIQQPKT-UHFFFAOYSA-N 1 2 222.292 0.232 20 0 BCADLO Cn1cc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000579728819 366995487 /nfs/dbraw/zinc/99/54/87/366995487.db2.gz HKPLISWPLPQWSD-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1cc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000579728819 366995491 /nfs/dbraw/zinc/99/54/91/366995491.db2.gz HKPLISWPLPQWSD-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1nnc(C[NH2+][C@@H](CO)C2CCCCC2)n1 ZINC000386073717 541516729 /nfs/dbraw/zinc/51/67/29/541516729.db2.gz DBQAQWIZLFOHHI-JTQLQIEISA-N 1 2 239.323 0.241 20 0 BCADLO CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000579740622 367001168 /nfs/dbraw/zinc/00/11/68/367001168.db2.gz IXWIKPNSNYNAMW-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCS(=O)(=O)CC1 ZINC000579769507 367003985 /nfs/dbraw/zinc/00/39/85/367003985.db2.gz JAQXTVHYQLELER-UHFFFAOYSA-N 1 2 241.316 0.328 20 0 BCADLO C[C@H]1COCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579977190 367112666 /nfs/dbraw/zinc/11/26/66/367112666.db2.gz ZULFKAUTPGLDQH-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C[S@](C)=O)N(C)Cc1[nH+]ccn1C ZINC000185126692 367119919 /nfs/dbraw/zinc/11/99/19/367119919.db2.gz MRASLDKFYXVEFY-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000185105605 367119983 /nfs/dbraw/zinc/11/99/83/367119983.db2.gz SNUFVSBRCPJEGU-ABKXIKBNSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000185105605 367119984 /nfs/dbraw/zinc/11/99/84/367119984.db2.gz SNUFVSBRCPJEGU-ABKXIKBNSA-N 1 2 248.392 0.600 20 0 BCADLO Cc1oncc1C[N@@H+](C)CC(=O)NC(C)C ZINC000185170322 367124000 /nfs/dbraw/zinc/12/40/00/367124000.db2.gz WYNWKEKMQKBZIC-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1oncc1C[N@H+](C)CC(=O)NC(C)C ZINC000185170322 367124006 /nfs/dbraw/zinc/12/40/06/367124006.db2.gz WYNWKEKMQKBZIC-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO CCc1nnc(C[NH+]2CCC(CO)CC2)[nH]1 ZINC000185181801 367124596 /nfs/dbraw/zinc/12/45/96/367124596.db2.gz BVLXQZPNJWTSDN-UHFFFAOYSA-N 1 2 224.308 0.571 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000185191161 367125573 /nfs/dbraw/zinc/12/55/73/367125573.db2.gz WTTVTMJFJKJLQY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000185191161 367125578 /nfs/dbraw/zinc/12/55/78/367125578.db2.gz WTTVTMJFJKJLQY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO C[C@H](O)C[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193386941 367172719 /nfs/dbraw/zinc/17/27/19/367172719.db2.gz AXHJCPUBVJAUTM-GXSJLCMTSA-N 1 2 225.292 0.381 20 0 BCADLO CC[C@H](O)CC(=O)NCCn1cc[nH+]c1 ZINC000622307533 370836008 /nfs/dbraw/zinc/83/60/08/370836008.db2.gz CVIFETHVZPHOLF-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CC[S@@]1=O ZINC000580825737 367177942 /nfs/dbraw/zinc/17/79/42/367177942.db2.gz GCHFEZBLSYCVRV-ABKXIKBNSA-N 1 2 240.328 0.740 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CC[S@@]1=O ZINC000580825737 367177947 /nfs/dbraw/zinc/17/79/47/367177947.db2.gz GCHFEZBLSYCVRV-ABKXIKBNSA-N 1 2 240.328 0.740 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000580772609 367161388 /nfs/dbraw/zinc/16/13/88/367161388.db2.gz KKZGLNMIUGVTEG-CBAPKCEASA-N 1 2 243.332 0.420 20 0 BCADLO CC[C@@H](O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000580838317 367183433 /nfs/dbraw/zinc/18/34/33/367183433.db2.gz DGOOJGNPVCRCDY-MRVPVSSYSA-N 1 2 225.292 0.922 20 0 BCADLO CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000580911137 367204853 /nfs/dbraw/zinc/20/48/53/367204853.db2.gz BBGCOPIWVPWESL-UHFFFAOYSA-N 1 2 207.277 0.877 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)c2nccn21 ZINC000581136902 367273209 /nfs/dbraw/zinc/27/32/09/367273209.db2.gz HKXOHDAMCDLNTP-ZJUUUORDSA-N 1 2 245.286 0.902 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1CCO ZINC000380672852 367277524 /nfs/dbraw/zinc/27/75/24/367277524.db2.gz BXZROLWSRKYIAH-JTQLQIEISA-N 1 2 223.276 0.257 20 0 BCADLO CN(Cc1cnn(C)c1)C(=O)Cn1cc[nH+]c1 ZINC000194024368 367242589 /nfs/dbraw/zinc/24/25/89/367242589.db2.gz INDRDQTYMVLSRY-UHFFFAOYSA-N 1 2 233.275 0.275 20 0 BCADLO CCOC1(C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000581053606 367247119 /nfs/dbraw/zinc/24/71/19/367247119.db2.gz OJCLJGWCJDDDBZ-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000581231529 367300689 /nfs/dbraw/zinc/30/06/89/367300689.db2.gz MMOMTCJHADLLAR-DTORHVGOSA-N 1 2 238.291 0.434 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000581231529 367300697 /nfs/dbraw/zinc/30/06/97/367300697.db2.gz MMOMTCJHADLLAR-DTORHVGOSA-N 1 2 238.291 0.434 20 0 BCADLO Cc1csc(C[NH2+][C@]2(C(N)=O)CCOC2)n1 ZINC000581496559 367525044 /nfs/dbraw/zinc/52/50/44/367525044.db2.gz NSWAPDDCKIXRCD-SNVBAGLBSA-N 1 2 241.316 0.186 20 0 BCADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000383024701 367587132 /nfs/dbraw/zinc/58/71/32/367587132.db2.gz UYUBLWDOOCXZLD-ZYHUDNBSSA-N 1 2 237.303 0.550 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ncc[nH]1 ZINC000383820029 367654325 /nfs/dbraw/zinc/65/43/25/367654325.db2.gz WLLCKPHVPCDVMU-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CC[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000581675909 367704409 /nfs/dbraw/zinc/70/44/09/367704409.db2.gz HWWRQAQEFDYMJZ-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1C[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000581663343 367663794 /nfs/dbraw/zinc/66/37/94/367663794.db2.gz ROHPCSPOCOAXEY-DTWKUNHWSA-N 1 2 237.307 0.036 20 0 BCADLO C[N@H+]1C[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000581663343 367663801 /nfs/dbraw/zinc/66/38/01/367663801.db2.gz ROHPCSPOCOAXEY-DTWKUNHWSA-N 1 2 237.307 0.036 20 0 BCADLO COCC1(O)C[NH+](Cc2cccc(OC)c2)C1 ZINC000384086461 367670926 /nfs/dbraw/zinc/67/09/26/367670926.db2.gz UPMJFRNXZFYANV-UHFFFAOYSA-N 1 2 237.299 0.888 20 0 BCADLO CN(C)[C@@H](C(=O)NC1CCC1)c1c[nH+]cn1C ZINC000622361059 370868803 /nfs/dbraw/zinc/86/88/03/370868803.db2.gz UFHLUXFJHFYFDZ-LLVKDONJSA-N 1 2 236.319 0.692 20 0 BCADLO C[C@H](Oc1ccccn1)C(=O)NCc1c[nH+]c[nH]1 ZINC000622384778 370880227 /nfs/dbraw/zinc/88/02/27/370880227.db2.gz RMFGQYBGRZMICP-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO C[C@H](Oc1ccccn1)C(=O)NCc1c[nH]c[nH+]1 ZINC000622384778 370880231 /nfs/dbraw/zinc/88/02/31/370880231.db2.gz RMFGQYBGRZMICP-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H](O)C1CCC1 ZINC000622384511 370881745 /nfs/dbraw/zinc/88/17/45/370881745.db2.gz IIEMRYAJYYKJFD-VIFPVBQESA-N 1 2 209.249 0.187 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H](O)C1CCC1 ZINC000622384511 370881752 /nfs/dbraw/zinc/88/17/52/370881752.db2.gz IIEMRYAJYYKJFD-VIFPVBQESA-N 1 2 209.249 0.187 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nncn1C)C(C)C ZINC000581837842 367840169 /nfs/dbraw/zinc/84/01/69/367840169.db2.gz LFHIYKSVZVYMNL-JTQLQIEISA-N 1 2 239.323 0.065 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc(N)c2)CC(=O)N1 ZINC000387109333 368051592 /nfs/dbraw/zinc/05/15/92/368051592.db2.gz GTLKYCBSCALDAE-SECBINFHSA-N 1 2 219.288 0.589 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CC(=O)N1 ZINC000387109333 368051598 /nfs/dbraw/zinc/05/15/98/368051598.db2.gz GTLKYCBSCALDAE-SECBINFHSA-N 1 2 219.288 0.589 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000581956376 368022149 /nfs/dbraw/zinc/02/21/49/368022149.db2.gz LEVQOQURRBPXPI-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000581956376 368022154 /nfs/dbraw/zinc/02/21/54/368022154.db2.gz LEVQOQURRBPXPI-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO CC(=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000615577819 368110986 /nfs/dbraw/zinc/11/09/86/368110986.db2.gz ZSCFCUAVWVYWKV-LBPRGKRZSA-N 1 2 249.314 0.933 20 0 BCADLO CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025290136 368157561 /nfs/dbraw/zinc/15/75/61/368157561.db2.gz KTUQDFWXHSWHRI-UHFFFAOYSA-N 1 2 249.314 0.944 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000566429960 326045539 /nfs/dbraw/zinc/04/55/39/326045539.db2.gz DJXWHTGKRSLZHP-GFCCVEGCSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCn2nncc2C1 ZINC000566429960 326045541 /nfs/dbraw/zinc/04/55/41/326045541.db2.gz DJXWHTGKRSLZHP-GFCCVEGCSA-N 1 2 238.335 0.891 20 0 BCADLO CNC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000029635122 368244818 /nfs/dbraw/zinc/24/48/18/368244818.db2.gz VIHPJTIEGTXKGO-UHFFFAOYSA-N 1 2 249.314 0.260 20 0 BCADLO C[C@@H](CNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000029958011 368246278 /nfs/dbraw/zinc/24/62/78/368246278.db2.gz GKWWKCMSPHAWSL-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](O)C1CC1 ZINC000615707863 368216585 /nfs/dbraw/zinc/21/65/85/368216585.db2.gz ALVQZIRPSSEYCN-SNVBAGLBSA-N 1 2 223.276 0.290 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](O)C1CC1 ZINC000615707861 368216630 /nfs/dbraw/zinc/21/66/30/368216630.db2.gz ALVQZIRPSSEYCN-JTQLQIEISA-N 1 2 223.276 0.290 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000046774206 368449469 /nfs/dbraw/zinc/44/94/69/368449469.db2.gz ACYZBLZQGYGNHL-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCOC[C@H]1C ZINC000046774206 368449471 /nfs/dbraw/zinc/44/94/71/368449471.db2.gz ACYZBLZQGYGNHL-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000045786004 368431729 /nfs/dbraw/zinc/43/17/29/368431729.db2.gz BBZZJRNCYRMUFD-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC1CC1 ZINC000045786004 368431732 /nfs/dbraw/zinc/43/17/32/368431732.db2.gz BBZZJRNCYRMUFD-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000046774210 368450708 /nfs/dbraw/zinc/45/07/08/368450708.db2.gz CGCSZOQBIHIHAE-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000046774210 368450712 /nfs/dbraw/zinc/45/07/12/368450712.db2.gz CGCSZOQBIHIHAE-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C ZINC000642568156 368508623 /nfs/dbraw/zinc/50/86/23/368508623.db2.gz LMWIAPUWNBGVKM-HBNTYKKESA-N 1 2 226.320 0.479 20 0 BCADLO Cc1ccc(CNC(=O)C[N@H+](C)CC(N)=O)cc1 ZINC000058579925 368515727 /nfs/dbraw/zinc/51/57/27/368515727.db2.gz YGNGUEGYZKAQAC-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO Cc1ccc(CNC(=O)C[N@@H+](C)CC(N)=O)cc1 ZINC000058579925 368515731 /nfs/dbraw/zinc/51/57/31/368515731.db2.gz YGNGUEGYZKAQAC-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000058747531 368520236 /nfs/dbraw/zinc/52/02/36/368520236.db2.gz LTDVHEBZHMIJTI-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO COC[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000081453590 368599636 /nfs/dbraw/zinc/59/96/36/368599636.db2.gz AJVQQVHEOLCVOI-SNVBAGLBSA-N 1 2 225.292 0.670 20 0 BCADLO COC(=O)C[N@H+](C)CCCN1CCCC1=O ZINC000064508253 368606916 /nfs/dbraw/zinc/60/69/16/368606916.db2.gz JUPGAHGFPDDDME-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO COC(=O)C[N@@H+](C)CCCN1CCCC1=O ZINC000064508253 368606924 /nfs/dbraw/zinc/60/69/24/368606924.db2.gz JUPGAHGFPDDDME-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067661541 368695168 /nfs/dbraw/zinc/69/51/68/368695168.db2.gz CUJMHIGFFFLKMX-JTQLQIEISA-N 1 2 228.292 0.008 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067661541 368695173 /nfs/dbraw/zinc/69/51/73/368695173.db2.gz CUJMHIGFFFLKMX-JTQLQIEISA-N 1 2 228.292 0.008 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000153942755 326121876 /nfs/dbraw/zinc/12/18/76/326121876.db2.gz BINKBTAJXHUBCQ-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000153942755 326121879 /nfs/dbraw/zinc/12/18/79/326121879.db2.gz BINKBTAJXHUBCQ-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOCC12CCC2 ZINC000622457080 370931908 /nfs/dbraw/zinc/93/19/08/370931908.db2.gz NFCXUBAAKKSQNJ-UHFFFAOYSA-N 1 2 249.314 0.744 20 0 BCADLO CC(C)(NC(=O)[C@@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000615952886 368762826 /nfs/dbraw/zinc/76/28/26/368762826.db2.gz IMLKFBGMYGGBRW-QMMMGPOBSA-N 1 2 223.276 0.532 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC1(CO)CCCC1 ZINC000622467266 370940030 /nfs/dbraw/zinc/94/00/30/370940030.db2.gz ODVLKJJSTREISM-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000071012922 368768285 /nfs/dbraw/zinc/76/82/85/368768285.db2.gz FTDQCJXGTALSRB-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000071012922 368768292 /nfs/dbraw/zinc/76/82/92/368768292.db2.gz FTDQCJXGTALSRB-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000622475931 370945479 /nfs/dbraw/zinc/94/54/79/370945479.db2.gz RYBPSOXCWRFDJN-MRVPVSSYSA-N 1 2 225.292 0.238 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000073558577 368808969 /nfs/dbraw/zinc/80/89/69/368808969.db2.gz COQZPLODZRYNJA-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](O)C1 ZINC000074324817 368837295 /nfs/dbraw/zinc/83/72/95/368837295.db2.gz XFINJBWCXYDUFH-MNOVXSKESA-N 1 2 238.262 0.419 20 0 BCADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](O)C1 ZINC000074324817 368837298 /nfs/dbraw/zinc/83/72/98/368837298.db2.gz XFINJBWCXYDUFH-MNOVXSKESA-N 1 2 238.262 0.419 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799437 368781408 /nfs/dbraw/zinc/78/14/08/368781408.db2.gz YFMYEFJTNFDPHL-JTQLQIEISA-N 1 2 240.328 0.867 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799437 368781409 /nfs/dbraw/zinc/78/14/09/368781409.db2.gz YFMYEFJTNFDPHL-JTQLQIEISA-N 1 2 240.328 0.867 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000618925467 368887839 /nfs/dbraw/zinc/88/78/39/368887839.db2.gz NZOAEPHXRLQYPC-MWLCHTKSSA-N 1 2 237.303 0.334 20 0 BCADLO Cc1cc(N[C@@H]2CCC(=O)N(C)C2=O)nc[nH+]1 ZINC000090031816 368967184 /nfs/dbraw/zinc/96/71/84/368967184.db2.gz PNIRBMYJEOHPFI-MRVPVSSYSA-N 1 2 234.259 0.344 20 0 BCADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000399983825 368939846 /nfs/dbraw/zinc/93/98/46/368939846.db2.gz LXCVFTBUQXCQQE-QWRGUYRKSA-N 1 2 222.288 0.781 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616199176 369034367 /nfs/dbraw/zinc/03/43/67/369034367.db2.gz XKDBIWCGRLQCKG-HBNTYKKESA-N 1 2 249.314 0.475 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CCCCO1 ZINC000457441613 203062503 /nfs/dbraw/zinc/06/25/03/203062503.db2.gz MCCGGUQDWMNYBQ-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO CC[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000618401490 369134864 /nfs/dbraw/zinc/13/48/64/369134864.db2.gz FPWJMPYZWDYGIW-VHSXEESVSA-N 1 2 225.292 0.721 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000618402335 369136968 /nfs/dbraw/zinc/13/69/68/369136968.db2.gz JVRPLSKPUZUNTM-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000618402335 369136970 /nfs/dbraw/zinc/13/69/70/369136970.db2.gz JVRPLSKPUZUNTM-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000618577627 369176771 /nfs/dbraw/zinc/17/67/71/369176771.db2.gz SFGFANYCMCZPPJ-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458105391 203132690 /nfs/dbraw/zinc/13/26/90/203132690.db2.gz AOIGDIDJEQEPJC-TUAOUCFPSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458105391 203132694 /nfs/dbraw/zinc/13/26/94/203132694.db2.gz AOIGDIDJEQEPJC-TUAOUCFPSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458105389 203132846 /nfs/dbraw/zinc/13/28/46/203132846.db2.gz AOIGDIDJEQEPJC-QJPTWQEYSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458105389 203132849 /nfs/dbraw/zinc/13/28/49/203132849.db2.gz AOIGDIDJEQEPJC-QJPTWQEYSA-N 1 2 240.347 0.868 20 0 BCADLO CCc1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000106884452 369214312 /nfs/dbraw/zinc/21/43/12/369214312.db2.gz AXRHRNFVWAVJNE-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000106884452 369214317 /nfs/dbraw/zinc/21/43/17/369214317.db2.gz AXRHRNFVWAVJNE-QMMMGPOBSA-N 1 2 211.265 0.853 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000458325747 203162167 /nfs/dbraw/zinc/16/21/67/203162167.db2.gz ZCWWOJNUXGMSEN-MXWKQRLJSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000458325747 203162170 /nfs/dbraw/zinc/16/21/70/203162170.db2.gz ZCWWOJNUXGMSEN-MXWKQRLJSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000458325749 203162311 /nfs/dbraw/zinc/16/23/11/203162311.db2.gz ZCWWOJNUXGMSEN-VWYCJHECSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000458325749 203162312 /nfs/dbraw/zinc/16/23/12/203162312.db2.gz ZCWWOJNUXGMSEN-VWYCJHECSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000618922242 369242435 /nfs/dbraw/zinc/24/24/35/369242435.db2.gz MVZLROACGLYXDG-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619075603 369275820 /nfs/dbraw/zinc/27/58/20/369275820.db2.gz ORBKKZDXMZMDLO-QWRGUYRKSA-N 1 2 249.314 0.680 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619075603 369275824 /nfs/dbraw/zinc/27/58/24/369275824.db2.gz ORBKKZDXMZMDLO-QWRGUYRKSA-N 1 2 249.314 0.680 20 0 BCADLO CCn1nncc1C[N@@H+]1CCOCC1(C)C ZINC000459291620 203248292 /nfs/dbraw/zinc/24/82/92/203248292.db2.gz CUEGQQYJQQCPAC-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCOCC1(C)C ZINC000459291620 203248295 /nfs/dbraw/zinc/24/82/95/203248295.db2.gz CUEGQQYJQQCPAC-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO O=C1C[N@H+](CCOCC2CCCC2)CCN1 ZINC000459299995 203251001 /nfs/dbraw/zinc/25/10/01/203251001.db2.gz QJTQZOYXECFPHL-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO O=C1C[N@@H+](CCOCC2CCCC2)CCN1 ZINC000459299995 203251003 /nfs/dbraw/zinc/25/10/03/203251003.db2.gz QJTQZOYXECFPHL-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2cncc(C)n2)c[nH+]1 ZINC000619206923 369305220 /nfs/dbraw/zinc/30/52/20/369305220.db2.gz NSCMXFNNFHKDNR-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1Cc1cnnn1CC ZINC000459383540 203271985 /nfs/dbraw/zinc/27/19/85/203271985.db2.gz WWSYUKMYNXUYIZ-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@H]1COCC[N@H+]1Cc1cnnn1CC ZINC000459383540 203271988 /nfs/dbraw/zinc/27/19/88/203271988.db2.gz WWSYUKMYNXUYIZ-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1nncc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000459334063 203262282 /nfs/dbraw/zinc/26/22/82/203262282.db2.gz CYBDBAGLIVIVIT-NXEZZACHSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@H+](C(C)C)C1COC1 ZINC000459486728 203289251 /nfs/dbraw/zinc/28/92/51/203289251.db2.gz LHQNUUKSMSVXFH-UHFFFAOYSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1nncc1C[N@@H+](C(C)C)C1COC1 ZINC000459486728 203289253 /nfs/dbraw/zinc/28/92/53/203289253.db2.gz LHQNUUKSMSVXFH-UHFFFAOYSA-N 1 2 224.308 0.907 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000459554313 203296682 /nfs/dbraw/zinc/29/66/82/203296682.db2.gz DMKPLGSQKGPPMW-PWSUYJOCSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cn[nH]c1 ZINC000459437721 203281483 /nfs/dbraw/zinc/28/14/83/203281483.db2.gz YTWUXELNPQFEKU-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cn[nH]c1 ZINC000459437721 203281487 /nfs/dbraw/zinc/28/14/87/203281487.db2.gz YTWUXELNPQFEKU-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO OC[C@]1(F)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459456752 203284234 /nfs/dbraw/zinc/28/42/34/203284234.db2.gz PMAHIBJLEUUTQW-JTQLQIEISA-N 1 2 247.701 0.943 20 0 BCADLO OC[C@]1(F)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459456752 203284237 /nfs/dbraw/zinc/28/42/37/203284237.db2.gz PMAHIBJLEUUTQW-JTQLQIEISA-N 1 2 247.701 0.943 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000619510807 369452129 /nfs/dbraw/zinc/45/21/29/369452129.db2.gz BAWCCHIPHOQIGQ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCOC[C@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511076 369453871 /nfs/dbraw/zinc/45/38/71/369453871.db2.gz BVOQSQMARZDIJL-SNVBAGLBSA-N 1 2 241.291 0.420 20 0 BCADLO CCOC[C@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511076 369453874 /nfs/dbraw/zinc/45/38/74/369453874.db2.gz BVOQSQMARZDIJL-SNVBAGLBSA-N 1 2 241.291 0.420 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC(C)(C)O ZINC000619513251 369455908 /nfs/dbraw/zinc/45/59/08/369455908.db2.gz AIYJFJMZWCHJFX-IUCAKERBSA-N 1 2 233.283 0.733 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC(C)(C)O ZINC000619513251 369455911 /nfs/dbraw/zinc/45/59/11/369455911.db2.gz AIYJFJMZWCHJFX-IUCAKERBSA-N 1 2 233.283 0.733 20 0 BCADLO CCOCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513355 369456451 /nfs/dbraw/zinc/45/64/51/369456451.db2.gz FZKQJMGTKGNWJB-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CCOCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513355 369456455 /nfs/dbraw/zinc/45/64/55/369456455.db2.gz FZKQJMGTKGNWJB-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO CN(C)[C@@H](C(=O)N1CC(F)C1)c1c[nH+]cn1C ZINC000622506439 370970708 /nfs/dbraw/zinc/97/07/08/370970708.db2.gz KIZYHWIOUOXFFP-SNVBAGLBSA-N 1 2 240.282 0.203 20 0 BCADLO CN(C)[C@H](C(=O)N1CC(F)C1)c1c[nH+]cn1C ZINC000622506438 370970766 /nfs/dbraw/zinc/97/07/66/370970766.db2.gz KIZYHWIOUOXFFP-JTQLQIEISA-N 1 2 240.282 0.203 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620136827 369743821 /nfs/dbraw/zinc/74/38/21/369743821.db2.gz HLGOPEZPDWFNAF-WDEREUQCSA-N 1 2 249.314 0.458 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]1C ZINC000620213321 369773557 /nfs/dbraw/zinc/77/35/57/369773557.db2.gz REBCKBRBZRVLSJ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]1C ZINC000620213321 369773560 /nfs/dbraw/zinc/77/35/60/369773560.db2.gz REBCKBRBZRVLSJ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000157883647 326299161 /nfs/dbraw/zinc/29/91/61/326299161.db2.gz PCHWUXRMLRRUKW-UHFFFAOYSA-N 1 2 222.204 0.336 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC2(COC2)C1 ZINC000620288669 369806693 /nfs/dbraw/zinc/80/66/93/369806693.db2.gz QAJOXKUVWWZAHA-UHFFFAOYSA-N 1 2 221.260 0.132 20 0 BCADLO C[C@H](NC(=O)C1(C)COC1)c1[nH+]ccn1C ZINC000620604107 369951904 /nfs/dbraw/zinc/95/19/04/369951904.db2.gz OJDWPVWFANAYPB-QMMMGPOBSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@H](NC(=O)c1cncn1C)c1[nH+]ccn1C ZINC000620605799 369953974 /nfs/dbraw/zinc/95/39/74/369953974.db2.gz KIMMLSUGJHEPPR-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO C[C@H](NC(=O)[C@@H](O)C1CC1)c1[nH+]ccn1C ZINC000620607238 369956300 /nfs/dbraw/zinc/95/63/00/369956300.db2.gz FOCVUEQRRXIYCE-CBAPKCEASA-N 1 2 223.276 0.368 20 0 BCADLO C[C@H](NC(=O)c1ncc[nH]1)c1[nH+]ccn1C ZINC000620611576 369958371 /nfs/dbraw/zinc/95/83/71/369958371.db2.gz LSLBYDSCWAVGTO-ZETCQYMHSA-N 1 2 219.248 0.634 20 0 BCADLO Cc1cn2ccc(NC(=O)[C@H]3CC(=O)N3)cc2[nH+]1 ZINC000620647696 369972092 /nfs/dbraw/zinc/97/20/92/369972092.db2.gz IQHGADYAPRMMPP-SECBINFHSA-N 1 2 244.254 0.470 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000620550701 369916729 /nfs/dbraw/zinc/91/67/29/369916729.db2.gz XXUOVVLBLBVHJY-KCJUWKMLSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)c1[nH+]ccn1C ZINC000620596768 369947501 /nfs/dbraw/zinc/94/75/01/369947501.db2.gz QYFDPFYFCGLWKB-SSDOTTSWSA-N 1 2 220.232 0.899 20 0 BCADLO C[C@H](NC(=O)c1ccon1)c1[nH+]ccn1C ZINC000620596769 369947764 /nfs/dbraw/zinc/94/77/64/369947764.db2.gz QYFDPFYFCGLWKB-ZETCQYMHSA-N 1 2 220.232 0.899 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](O)C3)ccn12 ZINC000620866092 370017287 /nfs/dbraw/zinc/01/72/87/370017287.db2.gz SXTJBYMRSFHIEX-XYPYZODXSA-N 1 2 245.282 0.896 20 0 BCADLO CCN1CC[N@H+](CCCC(=O)N(C)C)CC1=O ZINC000568166041 326317739 /nfs/dbraw/zinc/31/77/39/326317739.db2.gz BTBFEJWECGDTFD-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN1CC[N@@H+](CCCC(=O)N(C)C)CC1=O ZINC000568166041 326317742 /nfs/dbraw/zinc/31/77/42/326317742.db2.gz BTBFEJWECGDTFD-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCn1nccc1CNC(=O)Cc1c[nH+]cn1C ZINC000621118048 370113555 /nfs/dbraw/zinc/11/35/55/370113555.db2.gz GSYTXWDZSXOOER-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CCn1nccc1CNC(=O)Cn1cc[nH+]c1 ZINC000621116193 370112297 /nfs/dbraw/zinc/11/22/97/370112297.db2.gz AKKNCTDIZZMMAD-UHFFFAOYSA-N 1 2 233.275 0.416 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@](C)(O)C1CC1 ZINC000310123564 370305263 /nfs/dbraw/zinc/30/52/63/370305263.db2.gz IPWLMJKVWPFYGT-LLVKDONJSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@](C)(O)C1CC1 ZINC000310123564 370305265 /nfs/dbraw/zinc/30/52/65/370305265.db2.gz IPWLMJKVWPFYGT-LLVKDONJSA-N 1 2 238.291 0.640 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373378 370313112 /nfs/dbraw/zinc/31/31/12/370313112.db2.gz HPBJFEBIGWSRRT-QWRGUYRKSA-N 1 2 238.335 0.748 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373378 370313116 /nfs/dbraw/zinc/31/31/16/370313116.db2.gz HPBJFEBIGWSRRT-QWRGUYRKSA-N 1 2 238.335 0.748 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnn[nH]2)C[C@H]1CO ZINC000621373614 370313215 /nfs/dbraw/zinc/31/32/15/370313215.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H]1CO ZINC000621373614 370313220 /nfs/dbraw/zinc/31/32/20/370313220.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H]1CO ZINC000621373614 370313227 /nfs/dbraw/zinc/31/32/27/370313227.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H]1CO ZINC000621373614 370313231 /nfs/dbraw/zinc/31/32/31/370313231.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H]1CO ZINC000621373614 370313237 /nfs/dbraw/zinc/31/32/37/370313237.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H]1CO ZINC000621373614 370313240 /nfs/dbraw/zinc/31/32/40/370313240.db2.gz MBEQSTHBQSHJEH-IUCAKERBSA-N 1 2 210.281 0.255 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1nccnc1C ZINC000621711508 370457325 /nfs/dbraw/zinc/45/73/25/370457325.db2.gz XELVWMNYRVSPFF-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1nccnc1C ZINC000621711508 370457330 /nfs/dbraw/zinc/45/73/30/370457330.db2.gz XELVWMNYRVSPFF-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000621714439 370461428 /nfs/dbraw/zinc/46/14/28/370461428.db2.gz OFIZMWMUJUVZER-LLVKDONJSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000621714439 370461432 /nfs/dbraw/zinc/46/14/32/370461432.db2.gz OFIZMWMUJUVZER-LLVKDONJSA-N 1 2 246.314 0.592 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2nccnc2C)[C@@H](C)C1 ZINC000621716935 370466256 /nfs/dbraw/zinc/46/62/56/370466256.db2.gz RISFGHRFILCWLF-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2nccnc2C)[C@@H](C)C1 ZINC000621716935 370466259 /nfs/dbraw/zinc/46/62/59/370466259.db2.gz RISFGHRFILCWLF-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO CC[N@H+](Cc1nccnc1C)[C@H]1CCNC1=O ZINC000621726350 370478719 /nfs/dbraw/zinc/47/87/19/370478719.db2.gz SSQWESHZCXEWMQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1nccnc1C)[C@H]1CCNC1=O ZINC000621726350 370478721 /nfs/dbraw/zinc/47/87/21/370478721.db2.gz SSQWESHZCXEWMQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000621719637 370469121 /nfs/dbraw/zinc/46/91/21/370469121.db2.gz RZPYKCWORCCVJI-ONGXEEELSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000621719637 370469123 /nfs/dbraw/zinc/46/91/23/370469123.db2.gz RZPYKCWORCCVJI-ONGXEEELSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000621723037 370475092 /nfs/dbraw/zinc/47/50/92/370475092.db2.gz RVSNVCAUVLXMGH-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000621723037 370475096 /nfs/dbraw/zinc/47/50/96/370475096.db2.gz RVSNVCAUVLXMGH-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO CCC[C@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621923323 370602216 /nfs/dbraw/zinc/60/22/16/370602216.db2.gz JCNVHNOWJKIJSF-VIFPVBQESA-N 1 2 239.319 0.965 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCN1CCCC1=O ZINC000066495775 370583641 /nfs/dbraw/zinc/58/36/41/370583641.db2.gz RIVPWMFXHWFOEX-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO Cc1cc(N[C@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000078638145 370583705 /nfs/dbraw/zinc/58/37/05/370583705.db2.gz GFPRCRAYMJNKGI-MRVPVSSYSA-N 1 2 229.305 0.630 20 0 BCADLO CC(=O)N[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000622667350 371047285 /nfs/dbraw/zinc/04/72/85/371047285.db2.gz BGGCVFBGOZVUOE-SNVBAGLBSA-N 1 2 249.314 0.839 20 0 BCADLO CC[C@]1(O)CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000568782034 326377317 /nfs/dbraw/zinc/37/73/17/326377317.db2.gz GEGNQNUOLWOVAY-NSHDSACASA-N 1 2 238.291 0.419 20 0 BCADLO CC[C@]1(O)CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000568782034 326377318 /nfs/dbraw/zinc/37/73/18/326377318.db2.gz GEGNQNUOLWOVAY-NSHDSACASA-N 1 2 238.291 0.419 20 0 BCADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)cnn1 ZINC000622685704 371061882 /nfs/dbraw/zinc/06/18/82/371061882.db2.gz GJXMZYWMDMZYFT-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO COC(C)(C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685695 371062758 /nfs/dbraw/zinc/06/27/58/371062758.db2.gz FZGSPUOEMXEAQC-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H](O)C2CCC2)c1 ZINC000622686880 371063851 /nfs/dbraw/zinc/06/38/51/371063851.db2.gz WJAVNLUSFGEGCS-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCCOC2)c1 ZINC000622685878 371063924 /nfs/dbraw/zinc/06/39/24/371063924.db2.gz OGKGMUHYHYTTQJ-JTQLQIEISA-N 1 2 237.303 0.505 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cncs2)c1 ZINC000622685869 371064409 /nfs/dbraw/zinc/06/44/09/371064409.db2.gz NXYMEHMIYVENHW-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCOC1CCCC1 ZINC000568822494 326378437 /nfs/dbraw/zinc/37/84/37/326378437.db2.gz OYUGEQRLJGIJJA-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)c2ccccc21 ZINC000623862836 371132125 /nfs/dbraw/zinc/13/21/25/371132125.db2.gz CMJWEFMWFJKQJA-ZETCQYMHSA-N 1 2 242.286 0.952 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2ncc[nH]2)CCN1C1CCC1 ZINC000623840011 371122365 /nfs/dbraw/zinc/12/23/65/371122365.db2.gz KCEUFKOMHIVDAO-JTQLQIEISA-N 1 2 234.303 0.653 20 0 BCADLO Cn1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)n1 ZINC000623841002 371122738 /nfs/dbraw/zinc/12/27/38/371122738.db2.gz LNKWXGZBVDHEIL-LBPRGKRZSA-N 1 2 248.330 0.663 20 0 BCADLO O=C1[C@H]([NH2+]Cc2ncc[nH]2)CCN1C1CCC1 ZINC000623840012 371122846 /nfs/dbraw/zinc/12/28/46/371122846.db2.gz KCEUFKOMHIVDAO-SNVBAGLBSA-N 1 2 234.303 0.653 20 0 BCADLO CC(C)=CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623933283 371163266 /nfs/dbraw/zinc/16/32/66/371163266.db2.gz ZQZQWZWLZTYVAZ-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)=CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623933283 371163273 /nfs/dbraw/zinc/16/32/73/371163273.db2.gz ZQZQWZWLZTYVAZ-LLVKDONJSA-N 1 2 241.335 0.582 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623989485 371223077 /nfs/dbraw/zinc/22/30/77/371223077.db2.gz ZIJPTCAFZLJYRZ-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623989485 371223082 /nfs/dbraw/zinc/22/30/82/371223082.db2.gz ZIJPTCAFZLJYRZ-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO Cc1nnc(C[N@H+](C)C(C)(C)CO)n1C ZINC000124780424 371234987 /nfs/dbraw/zinc/23/49/87/371234987.db2.gz QCDTUNKJCVGBSI-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@@H+](C)C(C)(C)CO)n1C ZINC000124780424 371234988 /nfs/dbraw/zinc/23/49/88/371234988.db2.gz QCDTUNKJCVGBSI-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO O=C1NCC[C@@H]1[NH2+][C@@H]1CCCc2scnc21 ZINC000624010330 371245734 /nfs/dbraw/zinc/24/57/34/371245734.db2.gz MPCBJZLOHMIRDG-SFYZADRCSA-N 1 2 237.328 0.999 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1COCCN1C ZINC000624174408 371365035 /nfs/dbraw/zinc/36/50/35/371365035.db2.gz WUHXTJIOSJSIGR-KOLCDFICSA-N 1 2 238.335 0.699 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1COCCN1C ZINC000624174410 371365281 /nfs/dbraw/zinc/36/52/81/371365281.db2.gz WUHXTJIOSJSIGR-ONGXEEELSA-N 1 2 238.335 0.699 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000624236659 371424771 /nfs/dbraw/zinc/42/47/71/371424771.db2.gz HPGQWSZWXNTRMJ-WHGOUJPWSA-N 1 2 225.292 0.519 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252650 371439112 /nfs/dbraw/zinc/43/91/12/371439112.db2.gz KTLXTKGUJWMBAU-GHMZBOCLSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252650 371439118 /nfs/dbraw/zinc/43/91/18/371439118.db2.gz KTLXTKGUJWMBAU-GHMZBOCLSA-N 1 2 249.314 0.719 20 0 BCADLO CC(C)c1nc(N2CCN(C)C(=O)C2)cc[nH+]1 ZINC000156646702 371479691 /nfs/dbraw/zinc/47/96/91/371479691.db2.gz BMTQOLYCNXLNJT-UHFFFAOYSA-N 1 2 234.303 0.878 20 0 BCADLO CC(C)(NC(=O)c1cc(=O)[nH]cn1)c1[nH]cc[nH+]1 ZINC000627656926 371815284 /nfs/dbraw/zinc/81/52/84/371815284.db2.gz FGUBHRZAFWRZJF-UHFFFAOYSA-N 1 2 247.258 0.570 20 0 BCADLO COC[C@H](O)CCNc1[nH+]cccc1OC ZINC000230146270 371860627 /nfs/dbraw/zinc/86/06/27/371860627.db2.gz IMIFSFQREUCHCO-SECBINFHSA-N 1 2 226.276 0.900 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](O)C1 ZINC000276531155 181834969 /nfs/dbraw/zinc/83/49/69/181834969.db2.gz DULIBFKHOIYMTB-HMDXOVGESA-N 1 2 221.260 0.406 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)C(C)(C)CO ZINC000227654404 371917051 /nfs/dbraw/zinc/91/70/51/371917051.db2.gz YEPXMZSGKHRJDQ-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)C(C)(C)CO ZINC000227654404 371917056 /nfs/dbraw/zinc/91/70/56/371917056.db2.gz YEPXMZSGKHRJDQ-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H](C)CO)CCCC1 ZINC000133720732 372094988 /nfs/dbraw/zinc/09/49/88/372094988.db2.gz LMPWRRBFHNOIPM-SECBINFHSA-N 1 2 215.293 0.690 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1nc(C2CC2)no1 ZINC000631313840 372290851 /nfs/dbraw/zinc/29/08/51/372290851.db2.gz AEDNLBODHNTCRQ-UHFFFAOYSA-N 1 2 247.258 0.574 20 0 BCADLO c1nc(C[NH2+]C2CN(c3ccncn3)C2)cs1 ZINC000631257599 372263890 /nfs/dbraw/zinc/26/38/90/372263890.db2.gz BPYVIQBNGAAAFW-UHFFFAOYSA-N 1 2 247.327 0.912 20 0 BCADLO c1nc(C[NH2+]C2CN(c3ccncn3)C2)co1 ZINC000631257077 372264096 /nfs/dbraw/zinc/26/40/96/372264096.db2.gz MZICJKXQEIJFHV-UHFFFAOYSA-N 1 2 231.259 0.443 20 0 BCADLO Cn1ncnc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000631536764 372414192 /nfs/dbraw/zinc/41/41/92/372414192.db2.gz MSERXSOLWTWDKL-UHFFFAOYSA-N 1 2 248.290 0.177 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)NCc1[nH]c[nH+]c1C ZINC000631594613 372447057 /nfs/dbraw/zinc/44/70/57/372447057.db2.gz NEWZNZBKOPZJJD-SECBINFHSA-N 1 2 238.291 0.249 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000329398582 181941838 /nfs/dbraw/zinc/94/18/38/181941838.db2.gz XCIQXCOHIMSRLM-LLVKDONJSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000354489970 181942309 /nfs/dbraw/zinc/94/23/09/181942309.db2.gz KWHQCNPAUDASFW-VHSXEESVSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000373676254 181951895 /nfs/dbraw/zinc/95/18/95/181951895.db2.gz NSFVJRHAFCELIH-QJPTWQEYSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(COc1cc[nH+]cc1)NCC1CC1 ZINC000276475807 182004860 /nfs/dbraw/zinc/00/48/60/182004860.db2.gz QRDSUJRRGJUVMC-UHFFFAOYSA-N 1 2 206.245 0.987 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000128724215 182019010 /nfs/dbraw/zinc/01/90/10/182019010.db2.gz JIODHIYENKQCBL-VIFPVBQESA-N 1 2 223.276 0.638 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141363022 372932568 /nfs/dbraw/zinc/93/25/68/372932568.db2.gz KZPTUMRBLGHNJF-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141363022 372932572 /nfs/dbraw/zinc/93/25/72/372932572.db2.gz KZPTUMRBLGHNJF-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO O=C(C[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000078723144 182029221 /nfs/dbraw/zinc/02/92/21/182029221.db2.gz XFWRNEGZFKVGOY-MRVPVSSYSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(C[C@H]1COCC[N@H+]1CCO)c1ccccc1 ZINC000119372768 182030748 /nfs/dbraw/zinc/03/07/48/182030748.db2.gz YSIYCKCHWQCXPI-ZDUSSCGKSA-N 1 2 249.310 0.953 20 0 BCADLO O=C(C[C@H]1COCC[N@@H+]1CCO)c1ccccc1 ZINC000119372768 182030751 /nfs/dbraw/zinc/03/07/51/182030751.db2.gz YSIYCKCHWQCXPI-ZDUSSCGKSA-N 1 2 249.310 0.953 20 0 BCADLO COc1cccnc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000632564635 373007136 /nfs/dbraw/zinc/00/71/36/373007136.db2.gz CQSLPXNXASJOAW-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(Cc1ccon1)NCCCn1cc[nH+]c1 ZINC000354025008 182057559 /nfs/dbraw/zinc/05/75/59/182057559.db2.gz XOFXYGTVSNRCIS-UHFFFAOYSA-N 1 2 234.259 0.620 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCOC1 ZINC000266793434 182070593 /nfs/dbraw/zinc/07/05/93/182070593.db2.gz BQPZVJFAXSFNEW-SECBINFHSA-N 1 2 209.249 0.178 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(OC(F)F)C1 ZINC000360534187 182070762 /nfs/dbraw/zinc/07/07/62/182070762.db2.gz DVGLFLDBTFYTDJ-UHFFFAOYSA-N 1 2 231.202 0.333 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCCCO ZINC000336715298 182071224 /nfs/dbraw/zinc/07/12/24/182071224.db2.gz WNDAIQIJGPDCEH-UHFFFAOYSA-N 1 2 211.265 0.162 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](F)C1 ZINC000336320973 182071106 /nfs/dbraw/zinc/07/11/06/182071106.db2.gz AFZCUSIPCAELRD-DTWKUNHWSA-N 1 2 211.240 0.890 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](F)C1 ZINC000336320975 182071139 /nfs/dbraw/zinc/07/11/39/182071139.db2.gz AFZCUSIPCAELRD-RKDXNWHRSA-N 1 2 211.240 0.890 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(CCO)CC1CC1 ZINC000359210490 182069668 /nfs/dbraw/zinc/06/96/68/182069668.db2.gz CTASIJAKMNMGFH-UHFFFAOYSA-N 1 2 223.276 0.114 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(N)CC2(F)F)cc[nH+]1 ZINC000632825377 373163231 /nfs/dbraw/zinc/16/32/31/373163231.db2.gz RWDOJIYBRQAPEX-VIFPVBQESA-N 1 2 227.214 0.487 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000333964497 182085143 /nfs/dbraw/zinc/08/51/43/182085143.db2.gz PBZGKZAYKDEKNR-XLDPMVHQSA-N 1 2 234.255 0.715 20 0 BCADLO COC(C)(C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633057475 373272638 /nfs/dbraw/zinc/27/26/38/373272638.db2.gz IYAVUSUAXCUVDM-UHFFFAOYSA-N 1 2 240.307 0.976 20 0 BCADLO COCC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632962764 373234184 /nfs/dbraw/zinc/23/41/84/373234184.db2.gz NHSKBRGUHQQWPZ-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO Cc1conc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000633140424 373302553 /nfs/dbraw/zinc/30/25/53/373302553.db2.gz SABAPGQALATMLD-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000172649629 182097388 /nfs/dbraw/zinc/09/73/88/182097388.db2.gz RIPCJSYDJHEUPA-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000172649629 182097390 /nfs/dbraw/zinc/09/73/90/182097390.db2.gz RIPCJSYDJHEUPA-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000121508745 182097845 /nfs/dbraw/zinc/09/78/45/182097845.db2.gz UOSHIALECRHDNP-NSHDSACASA-N 1 2 234.303 0.653 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000121508745 182097846 /nfs/dbraw/zinc/09/78/46/182097846.db2.gz UOSHIALECRHDNP-NSHDSACASA-N 1 2 234.303 0.653 20 0 BCADLO O=C(NC1CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000376320807 182098615 /nfs/dbraw/zinc/09/86/15/182098615.db2.gz WBNBZORIEPRPTR-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC1CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000376320807 182098616 /nfs/dbraw/zinc/09/86/16/182098616.db2.gz WBNBZORIEPRPTR-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO CC[C@H]1CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633205041 373344558 /nfs/dbraw/zinc/34/45/58/373344558.db2.gz WDYWDLAXBBDEDG-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)O ZINC000633288214 373452153 /nfs/dbraw/zinc/45/21/53/373452153.db2.gz JYMGVVZFINYOQJ-JGVFFNPUSA-N 1 2 211.265 0.461 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc[nH]1 ZINC000277574510 182131680 /nfs/dbraw/zinc/13/16/80/182131680.db2.gz AZAATTKPYZPPEJ-UHFFFAOYSA-N 1 2 249.314 0.609 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCCO)[C@H](C)CC ZINC000183587524 205681674 /nfs/dbraw/zinc/68/16/74/205681674.db2.gz ZJUGYBDSIKJCNT-NXEZZACHSA-N 1 2 217.309 0.936 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000633556258 373592797 /nfs/dbraw/zinc/59/27/97/373592797.db2.gz UJYJTPYLVDYGGA-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(NCCCCF)NCC[NH+]1CCOCC1 ZINC000359410411 182162357 /nfs/dbraw/zinc/16/23/57/182162357.db2.gz CFFRAKXLUFTYRF-UHFFFAOYSA-N 1 2 247.314 0.368 20 0 BCADLO C/C=C\CNC(=O)C1([NH+]2CCOCC2)CC1 ZINC000633690876 373690012 /nfs/dbraw/zinc/69/00/12/373690012.db2.gz LDGVFSWKHQMHPY-IHWYPQMZSA-N 1 2 224.304 0.544 20 0 BCADLO O=C(NCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC000364964299 182167574 /nfs/dbraw/zinc/16/75/74/182167574.db2.gz VBUGDDJFHNUVCY-VIFPVBQESA-N 1 2 225.267 0.921 20 0 BCADLO O=C(N[C@H]1C[C@@H](CO)C1)c1ccc2[nH+]ccn2c1 ZINC000633839074 373803231 /nfs/dbraw/zinc/80/32/31/373803231.db2.gz NIHDRNZZEUNCRC-JGZJWPJOSA-N 1 2 245.282 0.835 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000066895308 182179437 /nfs/dbraw/zinc/17/94/37/182179437.db2.gz VVYMXMRMMFWFHH-JTQLQIEISA-N 1 2 223.276 0.426 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C(=O)c1ccc[nH]1 ZINC000294236535 182176551 /nfs/dbraw/zinc/17/65/51/182176551.db2.gz OTMFLIMMLZIRLI-UHFFFAOYSA-N 1 2 246.270 0.600 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)NC1CCC1 ZINC000074641001 182186739 /nfs/dbraw/zinc/18/67/39/182186739.db2.gz FYXDJCZNWFNBMC-UHFFFAOYSA-N 1 2 227.308 0.170 20 0 BCADLO O=C(NCCO)NCc1ccn2cc[nH+]c2c1 ZINC000178186514 182190366 /nfs/dbraw/zinc/19/03/66/182190366.db2.gz LRIVMKQNPXOMGE-UHFFFAOYSA-N 1 2 234.259 0.126 20 0 BCADLO CC1(NC(=O)CCCn2cc[nH+]c2)COC1 ZINC000634188638 373996696 /nfs/dbraw/zinc/99/66/96/373996696.db2.gz FKGDZJXFFALVQX-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO O=C(NCCn1cc[nH+]c1)OC[C@@H]1CCCO1 ZINC000283639221 182215438 /nfs/dbraw/zinc/21/54/38/182215438.db2.gz XJPUSPOWWLAUIY-JTQLQIEISA-N 1 2 239.275 0.788 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1CCC(O)CC1 ZINC000330964970 182215463 /nfs/dbraw/zinc/21/54/63/182215463.db2.gz HFGQESJWYWSIFD-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC1CCC1 ZINC000043311297 182215526 /nfs/dbraw/zinc/21/55/26/182215526.db2.gz RCIFXEDUAKBIBN-UHFFFAOYSA-N 1 2 222.292 0.982 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1CO ZINC000118562798 182214710 /nfs/dbraw/zinc/21/47/10/182214710.db2.gz PZHXRFABDJIOTJ-JTQLQIEISA-N 1 2 238.291 0.049 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N(CCO)C1CC1 ZINC000298649368 182214838 /nfs/dbraw/zinc/21/48/38/182214838.db2.gz LXDZZARLDBMBTM-UHFFFAOYSA-N 1 2 238.291 0.049 20 0 BCADLO CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)COC1 ZINC000634192116 374010978 /nfs/dbraw/zinc/01/09/78/374010978.db2.gz WVRWOHJOYISISR-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC1(C)COC1 ZINC000634192599 374011951 /nfs/dbraw/zinc/01/19/51/374011951.db2.gz ZPNJCJUFVSCDEI-UHFFFAOYSA-N 1 2 209.249 0.166 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000368088812 182215300 /nfs/dbraw/zinc/21/53/00/182215300.db2.gz GCLLBLLAYJXFCL-QJPTWQEYSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC1(CO)CCC1 ZINC000184202933 182215726 /nfs/dbraw/zinc/21/57/26/182215726.db2.gz JYEDQCVQGRVOKW-UHFFFAOYSA-N 1 2 238.291 0.097 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000353478250 182215400 /nfs/dbraw/zinc/21/54/00/182215400.db2.gz OKXLJLZHEKQRCP-SECBINFHSA-N 1 2 225.317 0.752 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(CO)c1 ZINC000362770230 182212098 /nfs/dbraw/zinc/21/20/98/182212098.db2.gz QQHBTWSNRXFWPH-UHFFFAOYSA-N 1 2 245.282 0.875 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1csnn1 ZINC000128730346 182212624 /nfs/dbraw/zinc/21/26/24/182212624.db2.gz KQRXTIKOODOSHU-UHFFFAOYSA-N 1 2 223.261 0.234 20 0 BCADLO O=C(NCCn1cccc1)NCCn1cc[nH+]c1 ZINC000267644672 182213199 /nfs/dbraw/zinc/21/31/99/182213199.db2.gz RYYNRIPMUQIPRF-UHFFFAOYSA-N 1 2 247.302 0.684 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1COC1 ZINC000634257682 374065192 /nfs/dbraw/zinc/06/51/92/374065192.db2.gz AYLMIXRLJHUWBA-RKDXNWHRSA-N 1 2 221.260 0.039 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(N)CC1(F)F ZINC000634276213 374088077 /nfs/dbraw/zinc/08/80/77/374088077.db2.gz MDSBZSILVRFUMV-SECBINFHSA-N 1 2 227.214 0.487 20 0 BCADLO O=C(NC[C@H]1CCn2cc[nH+]c2C1)NC1CC1 ZINC000375982241 182245430 /nfs/dbraw/zinc/24/54/30/182245430.db2.gz WSBMUEHRKLGDFK-VIFPVBQESA-N 1 2 234.303 0.907 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000090698460 182245296 /nfs/dbraw/zinc/24/52/96/182245296.db2.gz REVFCZYWTJTHEK-ZDUSSCGKSA-N 1 2 245.326 0.416 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CCC[C@H](O)C2)n1 ZINC000042651743 374279750 /nfs/dbraw/zinc/27/97/50/374279750.db2.gz XHGSRTOPWRAUOV-CBAPKCEASA-N 1 2 211.265 0.896 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CCC[C@H](O)C2)n1 ZINC000042651743 374279760 /nfs/dbraw/zinc/27/97/60/374279760.db2.gz XHGSRTOPWRAUOV-CBAPKCEASA-N 1 2 211.265 0.896 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000634414638 374243433 /nfs/dbraw/zinc/24/34/33/374243433.db2.gz KQKMCNKEYLTKLG-DLOVCJGASA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000634414639 374243954 /nfs/dbraw/zinc/24/39/54/374243954.db2.gz KQKMCNKEYLTKLG-USWWRNFRSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C(=O)Nc1ccccc1 ZINC000358116601 182272834 /nfs/dbraw/zinc/27/28/34/182272834.db2.gz GCPWCIDEMSVTHY-UHFFFAOYSA-N 1 2 244.254 0.665 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1)C1CCC1 ZINC000378352991 182301627 /nfs/dbraw/zinc/30/16/27/182301627.db2.gz WODWMRHCCAUAFJ-LLVKDONJSA-N 1 2 248.330 0.900 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C1CCC1 ZINC000378352991 182301633 /nfs/dbraw/zinc/30/16/33/182301633.db2.gz WODWMRHCCAUAFJ-LLVKDONJSA-N 1 2 248.330 0.900 20 0 BCADLO O=C(N[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC000369188667 182301865 /nfs/dbraw/zinc/30/18/65/182301865.db2.gz QWQLRLPIWYRJGX-LLVKDONJSA-N 1 2 248.330 0.900 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(O)cc1O ZINC000166975940 206141201 /nfs/dbraw/zinc/14/12/01/206141201.db2.gz SVHWOXXTAPYDQW-UHFFFAOYSA-N 1 2 247.254 0.793 20 0 BCADLO O=C(Nc1ccc(Cl)nc1)[C@@H]1COCC[NH2+]1 ZINC000122140945 182353878 /nfs/dbraw/zinc/35/38/78/182353878.db2.gz UINFIHDQYYDBFK-QMMMGPOBSA-N 1 2 241.678 0.662 20 0 BCADLO O=C(Nc1ccc(F)c(F)c1)[C@@H]1COCC[NH2+]1 ZINC000088357719 182355837 /nfs/dbraw/zinc/35/58/37/182355837.db2.gz RGRIPKQIDREZLZ-JTQLQIEISA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1ccc(F)cc1F)[C@H]1COCC[NH2+]1 ZINC000088357754 182356219 /nfs/dbraw/zinc/35/62/19/182356219.db2.gz GAUCJPBRRNVKOO-SNVBAGLBSA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1COCCO1 ZINC000295037297 182385324 /nfs/dbraw/zinc/38/53/24/182385324.db2.gz YABAPEYRQSLXMB-SNVBAGLBSA-N 1 2 247.254 0.688 20 0 BCADLO O=C(Nc1ccncc1)[C@H]1COCC[NH2+]1 ZINC000083872119 182386351 /nfs/dbraw/zinc/38/63/51/182386351.db2.gz XOUFIGAWHZPCSQ-SECBINFHSA-N 1 2 207.233 0.009 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnccn1 ZINC000109890150 182387389 /nfs/dbraw/zinc/38/73/89/182387389.db2.gz URTJHSUHERUMLB-UHFFFAOYSA-N 1 2 216.200 0.830 20 0 BCADLO CCOC(=O)C[NH+]1CCC(OC)CC1 ZINC000037250379 170218661 /nfs/dbraw/zinc/21/86/61/170218661.db2.gz FDNYKFVLQGQRMC-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCOCC[N@H+](C)Cc1oncc1C(=O)OC ZINC000285492211 170391492 /nfs/dbraw/zinc/39/14/92/170391492.db2.gz DNMIYRJOCLNPLT-UHFFFAOYSA-N 1 2 242.275 0.930 20 0 BCADLO CCOCC[N@@H+](C)Cc1oncc1C(=O)OC ZINC000285492211 170391494 /nfs/dbraw/zinc/39/14/94/170391494.db2.gz DNMIYRJOCLNPLT-UHFFFAOYSA-N 1 2 242.275 0.930 20 0 BCADLO O=c1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)[nH][nH]1 ZINC000289420211 183009951 /nfs/dbraw/zinc/00/99/51/183009951.db2.gz MQOKHYKGZUEFQI-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)[nH][nH]1 ZINC000289420211 183009952 /nfs/dbraw/zinc/00/99/52/183009952.db2.gz MQOKHYKGZUEFQI-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328617861 183025084 /nfs/dbraw/zinc/02/50/84/183025084.db2.gz UOXYZQKWJMJMNL-DTWKUNHWSA-N 1 2 238.291 0.019 20 0 BCADLO O=C1NC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328617861 183025086 /nfs/dbraw/zinc/02/50/86/183025086.db2.gz UOXYZQKWJMJMNL-DTWKUNHWSA-N 1 2 238.291 0.019 20 0 BCADLO OCC(F)(F)CN[C@@H]1CCn2cc[nH+]c21 ZINC000293882120 183035083 /nfs/dbraw/zinc/03/50/83/183035083.db2.gz FSJZWJPYBYCGIX-SSDOTTSWSA-N 1 2 217.219 0.545 20 0 BCADLO OCCCn1c2ccccc2[nH+]c1NCCO ZINC000298524083 183064639 /nfs/dbraw/zinc/06/46/39/183064639.db2.gz VYHXURZWEMGGHZ-UHFFFAOYSA-N 1 2 235.287 0.823 20 0 BCADLO OCC[NH+](CCO)Cc1ncc(Cl)s1 ZINC000331093170 183065454 /nfs/dbraw/zinc/06/54/54/183065454.db2.gz JLIOBPWFODHOIJ-UHFFFAOYSA-N 1 2 236.724 0.583 20 0 BCADLO OCC[NH+](CCO)Cc1csc(C2CC2)n1 ZINC000270322818 183065619 /nfs/dbraw/zinc/06/56/19/183065619.db2.gz KVYZYJDSTKHGQB-UHFFFAOYSA-N 1 2 242.344 0.807 20 0 BCADLO OCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000303092260 183074496 /nfs/dbraw/zinc/07/44/96/183074496.db2.gz PSEYGTDRCLHJNR-UHFFFAOYSA-N 1 2 244.232 0.497 20 0 BCADLO OCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000059705376 183080234 /nfs/dbraw/zinc/08/02/34/183080234.db2.gz IIHHHCOIRRLERK-UHFFFAOYSA-N 1 2 208.265 0.481 20 0 BCADLO OCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000059705376 183080237 /nfs/dbraw/zinc/08/02/37/183080237.db2.gz IIHHHCOIRRLERK-UHFFFAOYSA-N 1 2 208.265 0.481 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000077316300 183088484 /nfs/dbraw/zinc/08/84/84/183088484.db2.gz CTQBCIMXSSTPTM-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000077316300 183088485 /nfs/dbraw/zinc/08/84/85/183088485.db2.gz CTQBCIMXSSTPTM-NSHDSACASA-N 1 2 226.276 0.648 20 0 BCADLO OC[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000085245551 183111974 /nfs/dbraw/zinc/11/19/74/183111974.db2.gz AJWHWSCLNBQEPU-JTQLQIEISA-N 1 2 218.256 1.000 20 0 BCADLO CCCC[C@H](COC)[NH2+]Cc1nnn(C)n1 ZINC000309479287 169004753 /nfs/dbraw/zinc/00/47/53/169004753.db2.gz AAUGSSXGBDYKAO-SECBINFHSA-N 1 2 227.312 0.505 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000361833663 183098319 /nfs/dbraw/zinc/09/83/19/183098319.db2.gz OTRMNCMULKYQGM-JTQLQIEISA-N 1 2 239.344 0.776 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000361833663 183098321 /nfs/dbraw/zinc/09/83/21/183098321.db2.gz OTRMNCMULKYQGM-JTQLQIEISA-N 1 2 239.344 0.776 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCOC1 ZINC000309487749 183106305 /nfs/dbraw/zinc/10/63/05/183106305.db2.gz HCZUJPLAKMRJAJ-NXEZZACHSA-N 1 2 225.292 0.144 20 0 BCADLO OC[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000275899816 183143809 /nfs/dbraw/zinc/14/38/09/183143809.db2.gz ZHVCREKJXSFUBQ-MRVPVSSYSA-N 1 2 219.244 0.395 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000271190308 183127511 /nfs/dbraw/zinc/12/75/11/183127511.db2.gz PEYWGGPFLVKMNE-LBPRGKRZSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000271190308 183127512 /nfs/dbraw/zinc/12/75/12/183127512.db2.gz PEYWGGPFLVKMNE-LBPRGKRZSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccnc1Cl ZINC000186480582 183129727 /nfs/dbraw/zinc/12/97/27/183129727.db2.gz WMVGKEOLRVYHOD-UWVGGRQHSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccnc1Cl ZINC000186480582 183129732 /nfs/dbraw/zinc/12/97/32/183129732.db2.gz WMVGKEOLRVYHOD-UWVGGRQHSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@H]1CC(F)(F)CN1CCCn1cc[nH+]c1 ZINC000372498530 183147298 /nfs/dbraw/zinc/14/72/98/183147298.db2.gz XOGLNYUDSRWHCK-SNVBAGLBSA-N 1 2 245.273 0.975 20 0 BCADLO OC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000086831519 183154787 /nfs/dbraw/zinc/15/47/87/183154787.db2.gz GGGZPSOHCXNRRI-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000086831519 183154788 /nfs/dbraw/zinc/15/47/88/183154788.db2.gz GGGZPSOHCXNRRI-LLVKDONJSA-N 1 2 208.261 0.275 20 0 BCADLO O[C@@H](C[NH2+]Cc1cocn1)C(F)(F)F ZINC000277006676 183180133 /nfs/dbraw/zinc/18/01/33/183180133.db2.gz KUPFUQULOQFEPK-LURJTMIESA-N 1 2 210.155 0.687 20 0 BCADLO O[C@@H](C[NH2+]Cc1csnn1)C(F)(F)F ZINC000132608232 183181154 /nfs/dbraw/zinc/18/11/54/183181154.db2.gz LNNXXOSFJNKZGZ-YFKPBYRVSA-N 1 2 227.211 0.551 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000061709174 183200003 /nfs/dbraw/zinc/20/00/03/183200003.db2.gz NMYRJGYITXTSFM-MRVPVSSYSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000061709174 183200004 /nfs/dbraw/zinc/20/00/04/183200004.db2.gz NMYRJGYITXTSFM-MRVPVSSYSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000282103051 183200086 /nfs/dbraw/zinc/20/00/86/183200086.db2.gz WDZDXEPGBFEANW-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000282103051 183200088 /nfs/dbraw/zinc/20/00/88/183200088.db2.gz WDZDXEPGBFEANW-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ncccn2)CC12CC2 ZINC000361752286 183205605 /nfs/dbraw/zinc/20/56/05/183205605.db2.gz WDRLGYPRLOYJEW-SECBINFHSA-N 1 2 205.261 0.433 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ncccn2)CC12CC2 ZINC000361752286 183205607 /nfs/dbraw/zinc/20/56/07/183205607.db2.gz WDRLGYPRLOYJEW-SECBINFHSA-N 1 2 205.261 0.433 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@@H]2C1 ZINC000331489923 183205726 /nfs/dbraw/zinc/20/57/26/183205726.db2.gz MWKFKMOXZUNMEG-ATZCPNFKSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@@H]2C1 ZINC000331489923 183205728 /nfs/dbraw/zinc/20/57/28/183205728.db2.gz MWKFKMOXZUNMEG-ATZCPNFKSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H](CN1CCC=C(F)C1)C[NH+]1CCOCC1 ZINC000352769300 183221976 /nfs/dbraw/zinc/22/19/76/183221976.db2.gz KCSHRZFJCNOVBE-GFCCVEGCSA-N 1 2 244.310 0.239 20 0 BCADLO O[C@H](CN1CCOCC1)C[N@@H+]1CCC=C(F)C1 ZINC000352769300 183221978 /nfs/dbraw/zinc/22/19/78/183221978.db2.gz KCSHRZFJCNOVBE-GFCCVEGCSA-N 1 2 244.310 0.239 20 0 BCADLO O[C@H](CN1CCOCC1)C[N@H+]1CCC=C(F)C1 ZINC000352769300 183221981 /nfs/dbraw/zinc/22/19/81/183221981.db2.gz KCSHRZFJCNOVBE-GFCCVEGCSA-N 1 2 244.310 0.239 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263107 183222129 /nfs/dbraw/zinc/22/21/29/183222129.db2.gz RTSQFOLENDQIKY-PHDIDXHHSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@H](C[N@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263107 183222132 /nfs/dbraw/zinc/22/21/32/183222132.db2.gz RTSQFOLENDQIKY-PHDIDXHHSA-N 1 2 201.163 0.953 20 0 BCADLO O[C@H](C[NH2+][C@@H]1CCn2ccnc21)C(F)(F)F ZINC000294055673 183224927 /nfs/dbraw/zinc/22/49/27/183224927.db2.gz JRFBLZSTEVTXRW-RNFRBKRXSA-N 1 2 235.209 0.841 20 0 BCADLO CCCN(C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000272383299 169084830 /nfs/dbraw/zinc/08/48/30/169084830.db2.gz SBFWDSGIDNXUMS-UHFFFAOYSA-N 1 2 246.336 0.096 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(C)CC ZINC000353419177 169092694 /nfs/dbraw/zinc/09/26/94/169092694.db2.gz ASHPPPGTGTYGJQ-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(C)CC ZINC000353419177 169092696 /nfs/dbraw/zinc/09/26/96/169092696.db2.gz ASHPPPGTGTYGJQ-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO CCCN(CC(=O)N(C)C)Cc1[nH+]ccn1C ZINC000299574918 169092886 /nfs/dbraw/zinc/09/28/86/169092886.db2.gz HSVVDWZQOSFOAS-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO O[C@@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000267352661 183215087 /nfs/dbraw/zinc/21/50/87/183215087.db2.gz GFLGIJWWOVRLTE-QMMMGPOBSA-N 1 2 235.209 0.909 20 0 BCADLO O[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000282103052 183239048 /nfs/dbraw/zinc/23/90/48/183239048.db2.gz WDZDXEPGBFEANW-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000282103052 183239050 /nfs/dbraw/zinc/23/90/50/183239050.db2.gz WDZDXEPGBFEANW-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@H]1C[NH+](Cc2cccc(Cl)n2)C[C@@H]1O ZINC000236593915 183243145 /nfs/dbraw/zinc/24/31/45/183243145.db2.gz GPPMHBWTRZHXDH-IUCAKERBSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000236556503 183245091 /nfs/dbraw/zinc/24/50/91/183245091.db2.gz GTTOJAIIIVBHMS-AOOOYVTPSA-N 1 2 219.244 0.105 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000093612256 183250537 /nfs/dbraw/zinc/25/05/37/183250537.db2.gz YDDFGWXMAXWCQL-MRVPVSSYSA-N 1 2 235.209 0.909 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000093612256 183250540 /nfs/dbraw/zinc/25/05/40/183250540.db2.gz YDDFGWXMAXWCQL-MRVPVSSYSA-N 1 2 235.209 0.909 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)[nH]1 ZINC000328871891 183306771 /nfs/dbraw/zinc/30/67/71/183306771.db2.gz DQMJOQIURHFUTD-IUCAKERBSA-N 1 2 238.291 0.654 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)[nH]1 ZINC000328871891 183306773 /nfs/dbraw/zinc/30/67/73/183306773.db2.gz DQMJOQIURHFUTD-IUCAKERBSA-N 1 2 238.291 0.654 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccno3)C2)[nH]1 ZINC000377483739 183307220 /nfs/dbraw/zinc/30/72/20/183307220.db2.gz FWDVAKMMUXLAGB-MRVPVSSYSA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccno3)C2)[nH]1 ZINC000377483739 183307224 /nfs/dbraw/zinc/30/72/24/183307224.db2.gz FWDVAKMMUXLAGB-MRVPVSSYSA-N 1 2 249.274 0.878 20 0 BCADLO CCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000287553206 169161438 /nfs/dbraw/zinc/16/14/38/169161438.db2.gz MALYKUOBURRKET-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](C3CC3)C2)[nH]1 ZINC000329289665 183306540 /nfs/dbraw/zinc/30/65/40/183306540.db2.gz MZFZXECLLSDESX-QMMMGPOBSA-N 1 2 208.265 0.742 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](C3CC3)C2)[nH]1 ZINC000329289665 183306542 /nfs/dbraw/zinc/30/65/42/183306542.db2.gz MZFZXECLLSDESX-QMMMGPOBSA-N 1 2 208.265 0.742 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC(C(F)F)CC2)[nH]1 ZINC000340886179 183305035 /nfs/dbraw/zinc/30/50/35/183305035.db2.gz DWNKTKCXHNIUDZ-UHFFFAOYSA-N 1 2 232.234 0.987 20 0 BCADLO c1cc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)n[nH]1 ZINC000333238774 183331717 /nfs/dbraw/zinc/33/17/17/183331717.db2.gz VXYPLSDEXHOZAV-SECBINFHSA-N 1 2 246.274 0.132 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)[nH]1 ZINC000340911523 183307452 /nfs/dbraw/zinc/30/74/52/183307452.db2.gz IHWNHVCWDCLRRR-IUCAKERBSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)[nH]1 ZINC000340911523 183307454 /nfs/dbraw/zinc/30/74/54/183307454.db2.gz IHWNHVCWDCLRRR-IUCAKERBSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000341980466 183308116 /nfs/dbraw/zinc/30/81/16/183308116.db2.gz ZNWQJZXVJAPURE-SNVBAGLBSA-N 1 2 224.264 0.265 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000341980466 183308118 /nfs/dbraw/zinc/30/81/18/183308118.db2.gz ZNWQJZXVJAPURE-SNVBAGLBSA-N 1 2 224.264 0.265 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000329983667 183310231 /nfs/dbraw/zinc/31/02/31/183310231.db2.gz BLEGUEBFXIHUFW-IUCAKERBSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000329983667 183310233 /nfs/dbraw/zinc/31/02/33/183310233.db2.gz BLEGUEBFXIHUFW-IUCAKERBSA-N 1 2 238.291 0.103 20 0 BCADLO O=C1N=NC2C[N@H+](CCCCCF)CCN12 ZINC000341903352 183310495 /nfs/dbraw/zinc/31/04/95/183310495.db2.gz BLEFFHSIXRWLTF-UHFFFAOYSA-N 1 2 228.271 0.939 20 0 BCADLO O=C1N=NC2C[N@@H+](CCCCCF)CCN12 ZINC000341903352 183310497 /nfs/dbraw/zinc/31/04/97/183310497.db2.gz BLEFFHSIXRWLTF-UHFFFAOYSA-N 1 2 228.271 0.939 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784554 169222859 /nfs/dbraw/zinc/22/28/59/169222859.db2.gz YFLHYLDMIFIHOQ-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784554 169222861 /nfs/dbraw/zinc/22/28/61/169222861.db2.gz YFLHYLDMIFIHOQ-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000289757891 169227574 /nfs/dbraw/zinc/22/75/74/169227574.db2.gz OHERSNPDWLQWGZ-UHFFFAOYSA-N 1 2 239.323 0.475 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000336754441 169228176 /nfs/dbraw/zinc/22/81/76/169228176.db2.gz HHSNAWGCMGAZCO-QMMMGPOBSA-N 1 2 211.265 0.851 20 0 BCADLO CCCNC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007048593 169232435 /nfs/dbraw/zinc/23/24/35/169232435.db2.gz JFUIVMJOEZTDSE-UHFFFAOYSA-N 1 2 240.332 0.986 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)n[nH]1 ZINC000289341757 183346345 /nfs/dbraw/zinc/34/63/45/183346345.db2.gz HXPGBILSZKNACJ-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)n[nH]1 ZINC000289341757 183346346 /nfs/dbraw/zinc/34/63/46/183346346.db2.gz HXPGBILSZKNACJ-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO CCC[N@@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000373851335 169210309 /nfs/dbraw/zinc/21/03/09/169210309.db2.gz QJOXQIJVVZDXRS-UHFFFAOYSA-N 1 2 246.261 0.536 20 0 BCADLO CCC[N@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000373851335 169210310 /nfs/dbraw/zinc/21/03/10/169210310.db2.gz QJOXQIJVVZDXRS-UHFFFAOYSA-N 1 2 246.261 0.536 20 0 BCADLO CCCNC(=O)CC[NH2+]Cc1cn[nH]c1C ZINC000044353147 169216821 /nfs/dbraw/zinc/21/68/21/169216821.db2.gz JBEUSWNURNENNU-UHFFFAOYSA-N 1 2 224.308 0.724 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)OC ZINC000357847656 169221745 /nfs/dbraw/zinc/22/17/45/169221745.db2.gz JHMJRCVIWWKNMK-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)OC ZINC000357847656 169221746 /nfs/dbraw/zinc/22/17/46/169221746.db2.gz JHMJRCVIWWKNMK-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356127013 169236422 /nfs/dbraw/zinc/23/64/22/169236422.db2.gz BOXGROZWSSHCKN-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356127013 169236423 /nfs/dbraw/zinc/23/64/23/169236423.db2.gz BOXGROZWSSHCKN-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280740255 169243595 /nfs/dbraw/zinc/24/35/95/169243595.db2.gz JRAHJYQGADCVDQ-SNVBAGLBSA-N 1 2 224.308 0.549 20 0 BCADLO CCCNC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000162018398 169245200 /nfs/dbraw/zinc/24/52/00/169245200.db2.gz PVCASMCWSPPMAK-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CCCNC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330774964 169246448 /nfs/dbraw/zinc/24/64/48/169246448.db2.gz GZYQNKUFDIFUSF-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000336614678 169330986 /nfs/dbraw/zinc/33/09/86/169330986.db2.gz XHGAQUSWXAFVFD-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000336614678 169330988 /nfs/dbraw/zinc/33/09/88/169330988.db2.gz XHGAQUSWXAFVFD-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CO[C@@H](C[NH2+]Cc1nnn(C)n1)CC(C)C ZINC000669572517 487528239 /nfs/dbraw/zinc/52/82/39/487528239.db2.gz HMDTYHRIDJETHY-SECBINFHSA-N 1 2 227.312 0.361 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CC(=O)N(C)CC ZINC000330553728 169523887 /nfs/dbraw/zinc/52/38/87/169523887.db2.gz FVGMYZAMQSDHTM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC(=O)N(C)CC ZINC000330553728 169523888 /nfs/dbraw/zinc/52/38/88/169523888.db2.gz FVGMYZAMQSDHTM-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225446780 134353357 /nfs/dbraw/zinc/35/33/57/134353357.db2.gz OZQYEMCTNCDATP-RNFRBKRXSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225446780 134353358 /nfs/dbraw/zinc/35/33/58/134353358.db2.gz OZQYEMCTNCDATP-RNFRBKRXSA-N 1 2 241.209 0.547 20 0 BCADLO OCC(CO)[NH2+]Cc1ncc(Cl)s1 ZINC000225357595 134355058 /nfs/dbraw/zinc/35/50/58/134355058.db2.gz ZQSPECPBFNIEOI-UHFFFAOYSA-N 1 2 222.697 0.239 20 0 BCADLO CCCn1cc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000272728790 169616210 /nfs/dbraw/zinc/61/62/10/169616210.db2.gz LCJMAGBAGNPREO-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO CCn1ncnc1C[N@H+](C)CCCCCO ZINC000227116590 134373052 /nfs/dbraw/zinc/37/30/52/134373052.db2.gz NRMRNFILHAQFKY-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO CCn1ncnc1C[N@@H+](C)CCCCCO ZINC000227116590 134373053 /nfs/dbraw/zinc/37/30/53/134373053.db2.gz NRMRNFILHAQFKY-UHFFFAOYSA-N 1 2 226.324 0.892 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291069474 383824563 /nfs/dbraw/zinc/82/45/63/383824563.db2.gz QNKSFDITZMOQHD-DTWKUNHWSA-N 1 2 240.307 0.236 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)NCc1ccco1 ZINC000111399239 383863070 /nfs/dbraw/zinc/86/30/70/383863070.db2.gz PADJFRDGTQXDGY-SECBINFHSA-N 1 2 248.286 0.797 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)on1 ZINC000066499264 383867621 /nfs/dbraw/zinc/86/76/21/383867621.db2.gz ZNPPPELNNIYSFW-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)on1 ZINC000066499264 383867631 /nfs/dbraw/zinc/86/76/31/383867631.db2.gz ZNPPPELNNIYSFW-NSHDSACASA-N 1 2 237.303 0.939 20 0 BCADLO Cn1cc(C[N@@H+]2CCNC(=O)C2(C)C)cn1 ZINC000066528664 383870846 /nfs/dbraw/zinc/87/08/46/383870846.db2.gz ZKWAXMHBLSIKKT-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C[N@H+]2CCNC(=O)C2(C)C)cn1 ZINC000066528664 383870854 /nfs/dbraw/zinc/87/08/54/383870854.db2.gz ZKWAXMHBLSIKKT-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO O=S1(=O)CC[C@H](COc2cc[nH+]cc2)C1 ZINC000559348778 383873998 /nfs/dbraw/zinc/87/39/98/383873998.db2.gz CMRPZQBFTXRLQS-SECBINFHSA-N 1 2 227.285 0.895 20 0 BCADLO Cc1cnccc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000560126223 383913168 /nfs/dbraw/zinc/91/31/68/383913168.db2.gz QJUSEABEAIDTNC-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000560126223 383913172 /nfs/dbraw/zinc/91/31/72/383913172.db2.gz QJUSEABEAIDTNC-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)NC(C)(C)C ZINC000067694193 383934850 /nfs/dbraw/zinc/93/48/50/383934850.db2.gz VNKBOIRWFKCFHG-MRVPVSSYSA-N 1 2 224.308 0.803 20 0 BCADLO CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC000292388076 383928918 /nfs/dbraw/zinc/92/89/18/383928918.db2.gz YZMIDBDTROFFOA-SNVBAGLBSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC000292388076 383928923 /nfs/dbraw/zinc/92/89/23/383928923.db2.gz YZMIDBDTROFFOA-SNVBAGLBSA-N 1 2 225.292 0.884 20 0 BCADLO COCCCOCC[N@H+](C)CC(=O)OC ZINC000091101750 383931108 /nfs/dbraw/zinc/93/11/08/383931108.db2.gz AIHZMAFREAAALT-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO COCCCOCC[N@@H+](C)CC(=O)OC ZINC000091101750 383931116 /nfs/dbraw/zinc/93/11/16/383931116.db2.gz AIHZMAFREAAALT-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO Cc1ccc(N(C)C(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088372143 383899302 /nfs/dbraw/zinc/89/93/02/383899302.db2.gz HRXKDHVPXQVJRY-GFCCVEGCSA-N 1 2 234.299 0.946 20 0 BCADLO CC[C@H](NC(=O)CN(C)C(C)=O)c1[nH]cc[nH+]1 ZINC000140458433 383904419 /nfs/dbraw/zinc/90/44/19/383904419.db2.gz VIBNGFZMNFIQJE-VIFPVBQESA-N 1 2 238.291 0.455 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CCOC1 ZINC000292423992 383981212 /nfs/dbraw/zinc/98/12/12/383981212.db2.gz UGMPKAFYRWTIHM-LLVKDONJSA-N 1 2 238.291 0.398 20 0 BCADLO CONC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363415549 383981529 /nfs/dbraw/zinc/98/15/29/383981529.db2.gz HSDYPIKFHGHCLY-UHFFFAOYSA-N 1 2 247.258 0.628 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000647214180 383983593 /nfs/dbraw/zinc/98/35/93/383983593.db2.gz REPYZTFZSHXNJD-FXPVBKGRSA-N 1 2 235.287 0.375 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651596 383951453 /nfs/dbraw/zinc/95/14/53/383951453.db2.gz TWQALTFAEBKTQE-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cscn1 ZINC000070714590 383959413 /nfs/dbraw/zinc/95/94/13/383959413.db2.gz XBPLXZMUPWACOH-SNVBAGLBSA-N 1 2 244.316 0.499 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cscn1 ZINC000070714590 383959418 /nfs/dbraw/zinc/95/94/18/383959418.db2.gz XBPLXZMUPWACOH-SNVBAGLBSA-N 1 2 244.316 0.499 20 0 BCADLO Cc1cc(C)[nH+]c(N2CCOCCN2)n1 ZINC000560213918 383974097 /nfs/dbraw/zinc/97/40/97/383974097.db2.gz ZEJXAFPYWJTKPE-UHFFFAOYSA-N 1 2 208.265 0.435 20 0 BCADLO FC(F)(F)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000335848194 384005428 /nfs/dbraw/zinc/00/54/28/384005428.db2.gz KQRKDXRIXYHHPN-SECBINFHSA-N 1 2 238.253 0.955 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)s1 ZINC000309590386 384031774 /nfs/dbraw/zinc/03/17/74/384031774.db2.gz UOTMKCMGUGBWAY-POYBYMJQSA-N 1 2 240.332 0.728 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1ncc[nH]1 ZINC000114464301 384038845 /nfs/dbraw/zinc/03/88/45/384038845.db2.gz CJMAMEKDVJUQEC-UHFFFAOYSA-N 1 2 224.308 0.174 20 0 BCADLO CC[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330356639 384085363 /nfs/dbraw/zinc/08/53/63/384085363.db2.gz RVKVNUOWSXFCEX-RKDXNWHRSA-N 1 2 248.286 0.733 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)n2cncn2)c(C)c[nH+]1 ZINC000560377259 384100890 /nfs/dbraw/zinc/10/08/90/384100890.db2.gz GPPRWPVAKMGFGN-SNVBAGLBSA-N 1 2 245.286 0.912 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000050048895 384101086 /nfs/dbraw/zinc/10/10/86/384101086.db2.gz SBSTZSBDDQORDP-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000050048895 384101091 /nfs/dbraw/zinc/10/10/91/384101091.db2.gz SBSTZSBDDQORDP-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO CO[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000530468381 384101090 /nfs/dbraw/zinc/10/10/90/384101090.db2.gz MTMBQGOBSMKXSU-KOLCDFICSA-N 1 2 237.303 0.646 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)n2cncn2)c(C)c[nH+]1 ZINC000560377258 384101613 /nfs/dbraw/zinc/10/16/13/384101613.db2.gz GPPRWPVAKMGFGN-JTQLQIEISA-N 1 2 245.286 0.912 20 0 BCADLO Cc1c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)nnn1C ZINC000572616207 384105244 /nfs/dbraw/zinc/10/52/44/384105244.db2.gz RNMSGUCIZCTWLO-SECBINFHSA-N 1 2 237.307 0.402 20 0 BCADLO CC[C@](C)(OC)C(=O)NCCc1c[nH+]cn1C ZINC000530481275 384118727 /nfs/dbraw/zinc/11/87/27/384118727.db2.gz IYBUDDNDYWOZAT-LBPRGKRZSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000560414596 384122420 /nfs/dbraw/zinc/12/24/20/384122420.db2.gz ZYKJVIBJVWQRPC-JGPRNRPPSA-N 1 2 237.303 0.955 20 0 BCADLO CC(C)OCCCNC(=O)Cc1c[nH+]cn1C ZINC000530487165 384129619 /nfs/dbraw/zinc/12/96/19/384129619.db2.gz JVHKSHKVEUTOMQ-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO O=C(CC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000070651568 384129916 /nfs/dbraw/zinc/12/99/16/384129916.db2.gz YERITNIWOPWHTA-UHFFFAOYSA-N 1 2 207.155 0.978 20 0 BCADLO COC(=O)c1ccc(NCc2[nH+]ccn2C)nn1 ZINC000071274417 384157862 /nfs/dbraw/zinc/15/78/62/384157862.db2.gz BRTJDVVDKBOEOA-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cn1cc(CCC[NH2+]CC(F)(F)CO)cn1 ZINC000314566953 384160654 /nfs/dbraw/zinc/16/06/54/384160654.db2.gz UIDPNAGPHXCDFN-UHFFFAOYSA-N 1 2 233.262 0.570 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000040791691 384165179 /nfs/dbraw/zinc/16/51/79/384165179.db2.gz IUULGPVXZYBPIC-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO COC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080918504 384178240 /nfs/dbraw/zinc/17/82/40/384178240.db2.gz BOGQMQOQLLUVRZ-UHFFFAOYSA-N 1 2 209.245 0.997 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080918504 384178244 /nfs/dbraw/zinc/17/82/44/384178244.db2.gz BOGQMQOQLLUVRZ-UHFFFAOYSA-N 1 2 209.245 0.997 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccnn1C ZINC000093055299 384206688 /nfs/dbraw/zinc/20/66/88/384206688.db2.gz KCLMZIVXOAUYHB-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000093055299 384206694 /nfs/dbraw/zinc/20/66/94/384206694.db2.gz KCLMZIVXOAUYHB-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093055538 384207070 /nfs/dbraw/zinc/20/70/70/384207070.db2.gz BTMLFQDBDCCCDA-LBPRGKRZSA-N 1 2 235.331 0.982 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093055538 384207073 /nfs/dbraw/zinc/20/70/73/384207073.db2.gz BTMLFQDBDCCCDA-LBPRGKRZSA-N 1 2 235.331 0.982 20 0 BCADLO Cn1nccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703383 384190773 /nfs/dbraw/zinc/19/07/73/384190773.db2.gz KKBBQBLESVQSHW-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1nccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703383 384190775 /nfs/dbraw/zinc/19/07/75/384190775.db2.gz KKBBQBLESVQSHW-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO CCCCOCC(=O)NCCn1cc[nH+]c1 ZINC000118193916 384190965 /nfs/dbraw/zinc/19/09/65/384190965.db2.gz VGGBPQKUMBMNGR-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO C[C@H](CC[NH2+]Cc1ccn[nH]1)[S@@](C)=O ZINC000132590862 384195224 /nfs/dbraw/zinc/19/52/24/384195224.db2.gz OASCXPQAZGUSGQ-CLAHSXSESA-N 1 2 215.322 0.656 20 0 BCADLO CCCCOCC(=O)NCc1[nH]cc[nH+]1 ZINC000118339655 384196965 /nfs/dbraw/zinc/19/69/65/384196965.db2.gz FPXZVPLSSXNXDN-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO Cc1cnccc1CNC(=O)Cn1cc[nH+]c1 ZINC000558649677 384232136 /nfs/dbraw/zinc/23/21/36/384232136.db2.gz MKOOYCYTIWJUCO-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO Cc1cnccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000082523263 384234700 /nfs/dbraw/zinc/23/47/00/384234700.db2.gz ZRTZRRFPRCMXJY-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO CCS(=O)(=O)C[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093417027 384237000 /nfs/dbraw/zinc/23/70/00/384237000.db2.gz RRMCYCGQRLUGFV-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO CCS(=O)(=O)C[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093417027 384237003 /nfs/dbraw/zinc/23/70/03/384237003.db2.gz RRMCYCGQRLUGFV-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccno1 ZINC000072972298 384239070 /nfs/dbraw/zinc/23/90/70/384239070.db2.gz GQEJUWMJFHVDNK-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccno1 ZINC000072972298 384239076 /nfs/dbraw/zinc/23/90/76/384239076.db2.gz GQEJUWMJFHVDNK-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO C[C@H](O)C[N@H+](CCO)C/C(Cl)=C/Cl ZINC000289859460 384239814 /nfs/dbraw/zinc/23/98/14/384239814.db2.gz QDYOOMCQULBVCU-OJKBXMANSA-N 1 2 228.119 0.981 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)C/C(Cl)=C/Cl ZINC000289859460 384239822 /nfs/dbraw/zinc/23/98/22/384239822.db2.gz QDYOOMCQULBVCU-OJKBXMANSA-N 1 2 228.119 0.981 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000077278109 384208908 /nfs/dbraw/zinc/20/89/08/384208908.db2.gz CKDPIZANZAYTCT-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000077278109 384208915 /nfs/dbraw/zinc/20/89/15/384208915.db2.gz CKDPIZANZAYTCT-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000077273944 384209839 /nfs/dbraw/zinc/20/98/39/384209839.db2.gz YWCNETWVOYIZJO-LURJTMIESA-N 1 2 226.198 0.125 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000077273944 384209844 /nfs/dbraw/zinc/20/98/44/384209844.db2.gz YWCNETWVOYIZJO-LURJTMIESA-N 1 2 226.198 0.125 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)no1 ZINC000081900970 384210328 /nfs/dbraw/zinc/21/03/28/384210328.db2.gz BHZSDEQUVDJNBU-ZETCQYMHSA-N 1 2 232.305 0.506 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084239 384210548 /nfs/dbraw/zinc/21/05/48/384210548.db2.gz YHORWDOAMIQBRD-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084239 384210551 /nfs/dbraw/zinc/21/05/51/384210551.db2.gz YHORWDOAMIQBRD-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO C[C@]1(NC(=O)NCCn2cc[nH+]c2)CCOC1 ZINC000158239796 384211728 /nfs/dbraw/zinc/21/17/28/384211728.db2.gz VKJDAFLVNDBJDQ-NSHDSACASA-N 1 2 238.291 0.361 20 0 BCADLO CCCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC000042492272 384226171 /nfs/dbraw/zinc/22/61/71/384226171.db2.gz VOWMIGCIKMSQCR-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247991170 384229814 /nfs/dbraw/zinc/22/98/14/384229814.db2.gz JJUUWMCXZLIDQJ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247991170 384229821 /nfs/dbraw/zinc/22/98/21/384229821.db2.gz JJUUWMCXZLIDQJ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000093528362 384247725 /nfs/dbraw/zinc/24/77/25/384247725.db2.gz QHMMSVWCHKEOOK-VIFPVBQESA-N 1 2 228.317 0.990 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000093528362 384247732 /nfs/dbraw/zinc/24/77/32/384247732.db2.gz QHMMSVWCHKEOOK-VIFPVBQESA-N 1 2 228.317 0.990 20 0 BCADLO CC(C)c1cc(C(=O)N2CC[NH2+]CC2)n[nH]1 ZINC000082651958 384250144 /nfs/dbraw/zinc/25/01/44/384250144.db2.gz YIZZYCSYFQLQCE-UHFFFAOYSA-N 1 2 222.292 0.579 20 0 BCADLO CS(=O)(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000093701981 384262359 /nfs/dbraw/zinc/26/23/59/384262359.db2.gz WWESBCHYLISYMG-SNVBAGLBSA-N 1 2 243.332 0.555 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000093809340 384268226 /nfs/dbraw/zinc/26/82/26/384268226.db2.gz YQDIOFFNHNJLMJ-SNVBAGLBSA-N 1 2 236.319 0.806 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000093809340 384268234 /nfs/dbraw/zinc/26/82/34/384268234.db2.gz YQDIOFFNHNJLMJ-SNVBAGLBSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000043311516 384271410 /nfs/dbraw/zinc/27/14/10/384271410.db2.gz HLQNBQWDYXHZJP-ZJUUUORDSA-N 1 2 222.292 0.838 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1cccn1C ZINC000093816255 384271778 /nfs/dbraw/zinc/27/17/78/384271778.db2.gz MYQPMAWFWDCXEY-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccn1C ZINC000093816255 384271783 /nfs/dbraw/zinc/27/17/83/384271783.db2.gz MYQPMAWFWDCXEY-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO Cc1nc(N[C@@H]2CCCC[C@@H]2O)nc(N)[nH+]1 ZINC000304402129 384278216 /nfs/dbraw/zinc/27/82/16/384278216.db2.gz AZAYAYZKJLODHD-SFYZADRCSA-N 1 2 223.280 0.478 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@@H]2O)[nH+]1 ZINC000304402129 384278225 /nfs/dbraw/zinc/27/82/25/384278225.db2.gz AZAYAYZKJLODHD-SFYZADRCSA-N 1 2 223.280 0.478 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nc(C)no1 ZINC000304263112 384308306 /nfs/dbraw/zinc/30/83/06/384308306.db2.gz UHHOTGRENPXVMG-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nc(C)no1 ZINC000304263112 384308311 /nfs/dbraw/zinc/30/83/11/384308311.db2.gz UHHOTGRENPXVMG-UHFFFAOYSA-N 1 2 229.280 0.209 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000159237671 384311896 /nfs/dbraw/zinc/31/18/96/384311896.db2.gz FASWVNXVVMAATA-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO Cc1nc(N[C@@H](CCO)C(C)C)nc(N)[nH+]1 ZINC000304459166 384315611 /nfs/dbraw/zinc/31/56/11/384315611.db2.gz LYWQKTQWQMOXAW-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CCO)C(C)C)[nH+]1 ZINC000304459166 384315616 /nfs/dbraw/zinc/31/56/16/384315616.db2.gz LYWQKTQWQMOXAW-QMMMGPOBSA-N 1 2 225.296 0.581 20 0 BCADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000304413293 384288257 /nfs/dbraw/zinc/28/82/57/384288257.db2.gz CKLRKBGIIYIWKL-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000304413293 384288262 /nfs/dbraw/zinc/28/82/62/384288262.db2.gz CKLRKBGIIYIWKL-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO CN(CCO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179412393 384289825 /nfs/dbraw/zinc/28/98/25/384289825.db2.gz HBGROPFKLMLIAS-UHFFFAOYSA-N 1 2 248.286 0.468 20 0 BCADLO C[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000083219139 384292572 /nfs/dbraw/zinc/29/25/72/384292572.db2.gz XDYXTNRGJUJNLG-VIFPVBQESA-N 1 2 211.265 0.018 20 0 BCADLO CC[C@@H](CCO)CNc1nc(C)[nH+]c(N)n1 ZINC000304428870 384299115 /nfs/dbraw/zinc/29/91/15/384299115.db2.gz FVTNKCXNFDTKGL-QMMMGPOBSA-N 1 2 225.296 0.583 20 0 BCADLO CC[C@@H](CCO)CNc1nc(N)nc(C)[nH+]1 ZINC000304428870 384299120 /nfs/dbraw/zinc/29/91/20/384299120.db2.gz FVTNKCXNFDTKGL-QMMMGPOBSA-N 1 2 225.296 0.583 20 0 BCADLO CN(CC(C)(C)O)C(=O)NCCn1cc[nH+]c1 ZINC000159100449 384300983 /nfs/dbraw/zinc/30/09/83/384300983.db2.gz QOBMZOQUHAFEBV-UHFFFAOYSA-N 1 2 240.307 0.295 20 0 BCADLO Cc1csc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC000083872150 384339511 /nfs/dbraw/zinc/33/95/11/384339511.db2.gz ALAIADNEEVJPAM-ZETCQYMHSA-N 1 2 227.289 0.378 20 0 BCADLO Cc1nc(NCC[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000304518200 384343044 /nfs/dbraw/zinc/34/30/44/384343044.db2.gz RVNKOFKXLDWMMF-MRVPVSSYSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NCC[C@@H]2CCOC2)[nH+]1 ZINC000304518200 384343053 /nfs/dbraw/zinc/34/30/53/384343053.db2.gz RVNKOFKXLDWMMF-MRVPVSSYSA-N 1 2 223.280 0.601 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ncc(F)cn1 ZINC000533468312 384345950 /nfs/dbraw/zinc/34/59/50/384345950.db2.gz YYFYXJXMHBHETF-UHFFFAOYSA-N 1 2 207.212 0.975 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cncs1 ZINC000120319985 384345910 /nfs/dbraw/zinc/34/59/10/384345910.db2.gz FURHJOCEQRURFM-UHFFFAOYSA-N 1 2 225.317 0.854 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cncs1 ZINC000120319985 384345918 /nfs/dbraw/zinc/34/59/18/384345918.db2.gz FURHJOCEQRURFM-UHFFFAOYSA-N 1 2 225.317 0.854 20 0 BCADLO CCCn1ncnc1C[NH+]1CCC(O)CC1 ZINC000083995438 384355532 /nfs/dbraw/zinc/35/55/32/384355532.db2.gz PTCXUYQRZLMTRK-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[NH+]1CCC(CO)CC1 ZINC000083995470 384356002 /nfs/dbraw/zinc/35/60/02/384356002.db2.gz CURHIYDJCRZNMB-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CC[C@@]1(C)COCCN1C(=O)Cn1cc[nH+]c1 ZINC000560792388 384356206 /nfs/dbraw/zinc/35/62/06/384356206.db2.gz PQWMTTPAPYNAST-LBPRGKRZSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCCO1 ZINC000084081685 384359749 /nfs/dbraw/zinc/35/97/49/384359749.db2.gz NWGLTVVZYBNHHY-SECBINFHSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCCO1 ZINC000084081685 384359756 /nfs/dbraw/zinc/35/97/56/384359756.db2.gz NWGLTVVZYBNHHY-SECBINFHSA-N 1 2 209.249 0.595 20 0 BCADLO CCCn1[nH]cc/c1=N\C(=O)C[NH+](CC)CC ZINC000120542965 384362000 /nfs/dbraw/zinc/36/20/00/384362000.db2.gz IEJCYSADZCAABG-SDNWHVSQSA-N 1 2 238.335 0.995 20 0 BCADLO COC[C@H](C)C[NH+]1CC(O)(C(F)F)C1 ZINC000644905620 384371808 /nfs/dbraw/zinc/37/18/08/384371808.db2.gz MCKPMEQRFXODQD-SSDOTTSWSA-N 1 2 209.236 0.581 20 0 BCADLO Cn1ncnc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000330364828 384372523 /nfs/dbraw/zinc/37/25/23/384372523.db2.gz YELKWWAHSLHASQ-MRVPVSSYSA-N 1 2 225.296 0.855 20 0 BCADLO Cc1nc(N[C@@H]2CCOC[C@H]2C)nc(N)[nH+]1 ZINC000304478794 384324199 /nfs/dbraw/zinc/32/41/99/384324199.db2.gz OFOQKYDTWMPBMD-HTRCEHHLSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCOC[C@H]2C)[nH+]1 ZINC000304478794 384324204 /nfs/dbraw/zinc/32/42/04/384324204.db2.gz OFOQKYDTWMPBMD-HTRCEHHLSA-N 1 2 223.280 0.599 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332644718 384326567 /nfs/dbraw/zinc/32/65/67/384326567.db2.gz LDYLFSFNOOLZGH-QWRGUYRKSA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332644718 384326572 /nfs/dbraw/zinc/32/65/72/384326572.db2.gz LDYLFSFNOOLZGH-QWRGUYRKSA-N 1 2 238.335 0.889 20 0 BCADLO COC[C@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000120141408 384332171 /nfs/dbraw/zinc/33/21/71/384332171.db2.gz WEQORKFTVKAUPE-SNVBAGLBSA-N 1 2 239.275 0.519 20 0 BCADLO Cc1nc(N[C@@H]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000304555337 384398721 /nfs/dbraw/zinc/39/87/21/384398721.db2.gz XZAGIKUQGFYJPB-POYBYMJQSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCO[C@@H](C)C2)[nH+]1 ZINC000304555337 384398728 /nfs/dbraw/zinc/39/87/28/384398728.db2.gz XZAGIKUQGFYJPB-POYBYMJQSA-N 1 2 223.280 0.742 20 0 BCADLO C[N@H+](CCOCC1CC1)Cc1nccc(N)n1 ZINC000135142625 384413904 /nfs/dbraw/zinc/41/39/04/384413904.db2.gz WAMXLOLZIRQJDP-UHFFFAOYSA-N 1 2 236.319 0.917 20 0 BCADLO C[N@@H+](CCOCC1CC1)Cc1nccc(N)n1 ZINC000135142625 384413909 /nfs/dbraw/zinc/41/39/09/384413909.db2.gz WAMXLOLZIRQJDP-UHFFFAOYSA-N 1 2 236.319 0.917 20 0 BCADLO C[N@H+](CCc1ccncc1)[C@@H]1CCOC1=O ZINC000121510084 384424312 /nfs/dbraw/zinc/42/43/12/384424312.db2.gz AETPLUPTGWOPCJ-LLVKDONJSA-N 1 2 220.272 0.871 20 0 BCADLO C[N@@H+](CCc1ccncc1)[C@@H]1CCOC1=O ZINC000121510084 384424319 /nfs/dbraw/zinc/42/43/19/384424319.db2.gz AETPLUPTGWOPCJ-LLVKDONJSA-N 1 2 220.272 0.871 20 0 BCADLO CCc1nnc(C[NH2+][C@@](C)(CC)C(N)=O)[nH]1 ZINC000159301892 384390081 /nfs/dbraw/zinc/39/00/81/384390081.db2.gz MJKVNDZPZJYQEU-JTQLQIEISA-N 1 2 225.296 0.111 20 0 BCADLO CCC[C@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000121907405 384444667 /nfs/dbraw/zinc/44/46/67/384444667.db2.gz PFXVLOROZNUXRV-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO CC[C@](C)(CNC(=O)Cn1cc[nH+]c1)OC ZINC000556672681 384447028 /nfs/dbraw/zinc/44/70/28/384447028.db2.gz KCADMWDKVSHBFU-LLVKDONJSA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@@](C)(CNC(=O)Cn1cc[nH+]c1)OC ZINC000556672686 384447283 /nfs/dbraw/zinc/44/72/83/384447283.db2.gz KCADMWDKVSHBFU-NSHDSACASA-N 1 2 225.292 0.814 20 0 BCADLO CC[C@H](NC(=O)[C@H]1COCCO1)c1[nH]cc[nH+]1 ZINC000140725782 384449143 /nfs/dbraw/zinc/44/91/43/384449143.db2.gz BZOQEWIWOZXQPT-DTWKUNHWSA-N 1 2 239.275 0.392 20 0 BCADLO Cc1cc(NC(=O)N(C)[C@H](C)CO)c(C)c[nH+]1 ZINC000556715394 384457883 /nfs/dbraw/zinc/45/78/83/384457883.db2.gz HXKZBTCOWNHADN-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000427180496 384457017 /nfs/dbraw/zinc/45/70/17/384457017.db2.gz YZFSFCFAJYXPPD-VIFPVBQESA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000427180496 384457022 /nfs/dbraw/zinc/45/70/22/384457022.db2.gz YZFSFCFAJYXPPD-VIFPVBQESA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000427180496 384457030 /nfs/dbraw/zinc/45/70/30/384457030.db2.gz YZFSFCFAJYXPPD-VIFPVBQESA-N 1 2 249.318 0.932 20 0 BCADLO CCc1nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000427180496 384457034 /nfs/dbraw/zinc/45/70/34/384457034.db2.gz YZFSFCFAJYXPPD-VIFPVBQESA-N 1 2 249.318 0.932 20 0 BCADLO C[C@H]1OCC[N@H+](CC[C@@H]2CCCO2)[C@@H]1C(N)=O ZINC000408048493 384436592 /nfs/dbraw/zinc/43/65/92/384436592.db2.gz YKKPKPLHYLGJNF-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H]1OCC[N@@H+](CC[C@@H]2CCCO2)[C@@H]1C(N)=O ZINC000408048493 384436596 /nfs/dbraw/zinc/43/65/96/384436596.db2.gz YKKPKPLHYLGJNF-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000082687127 384441218 /nfs/dbraw/zinc/44/12/18/384441218.db2.gz ILAYZHIWSGFPQU-SNVBAGLBSA-N 1 2 243.351 0.757 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000082687127 384441227 /nfs/dbraw/zinc/44/12/27/384441227.db2.gz ILAYZHIWSGFPQU-SNVBAGLBSA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000101764051 384461283 /nfs/dbraw/zinc/46/12/83/384461283.db2.gz MNBCYGCORMBVHR-UHFFFAOYSA-N 1 2 210.281 0.935 20 0 BCADLO COC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000082347962 384480701 /nfs/dbraw/zinc/48/07/01/384480701.db2.gz JAHUNQRAKBRXHS-UHFFFAOYSA-N 1 2 235.287 0.966 20 0 BCADLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC1(F)CC1 ZINC000564509193 384483260 /nfs/dbraw/zinc/48/32/60/384483260.db2.gz MYJGLNBKFYXQIJ-VIFPVBQESA-N 1 2 235.324 0.855 20 0 BCADLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)CC1(F)CC1 ZINC000564509193 384483266 /nfs/dbraw/zinc/48/32/66/384483266.db2.gz MYJGLNBKFYXQIJ-VIFPVBQESA-N 1 2 235.324 0.855 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(CO)CCC1 ZINC000181371073 384496376 /nfs/dbraw/zinc/49/63/76/384496376.db2.gz LASHAJUFMJWZNO-UHFFFAOYSA-N 1 2 247.302 0.938 20 0 BCADLO Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)nc[nH+]1 ZINC000150853689 384514119 /nfs/dbraw/zinc/51/41/19/384514119.db2.gz CSGRCICMNVWQGK-VIFPVBQESA-N 1 2 241.316 0.408 20 0 BCADLO CCOCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049153541 384520420 /nfs/dbraw/zinc/52/04/20/384520420.db2.gz RQNSBPLDSWZDER-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000175974509 384522296 /nfs/dbraw/zinc/52/22/96/384522296.db2.gz HCBJPMOKHMPGOW-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000175974509 384522301 /nfs/dbraw/zinc/52/23/01/384522301.db2.gz HCBJPMOKHMPGOW-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C[N@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000170900534 384530575 /nfs/dbraw/zinc/53/05/75/384530575.db2.gz FQYVHUZWDRPGEW-MRVPVSSYSA-N 1 2 219.235 0.441 20 0 BCADLO C[N@@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000170900534 384530585 /nfs/dbraw/zinc/53/05/85/384530585.db2.gz FQYVHUZWDRPGEW-MRVPVSSYSA-N 1 2 219.235 0.441 20 0 BCADLO CC(C)=CC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172189031 384543497 /nfs/dbraw/zinc/54/34/97/384543497.db2.gz GTPJOZVVSHBLBB-GFCCVEGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172189031 384543501 /nfs/dbraw/zinc/54/35/01/384543501.db2.gz GTPJOZVVSHBLBB-GFCCVEGCSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353725661 384539643 /nfs/dbraw/zinc/53/96/43/384539643.db2.gz QNPABEAVPJZFCK-GMSGAONNSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(NC[C@@H]2CCC[C@H](O)C2)nc(N)[nH+]1 ZINC000306069405 384569894 /nfs/dbraw/zinc/56/98/94/384569894.db2.gz BMKYGGNDMZIKBO-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H](O)C2)[nH+]1 ZINC000306069405 384569901 /nfs/dbraw/zinc/56/99/01/384569901.db2.gz BMKYGGNDMZIKBO-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO CCCc1nc(C[NH+](CCO)CCO)cs1 ZINC000050103284 384590354 /nfs/dbraw/zinc/59/03/54/384590354.db2.gz MKJOMQCLILULFZ-UHFFFAOYSA-N 1 2 244.360 0.882 20 0 BCADLO C[C@H]1CSC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561219641 384573145 /nfs/dbraw/zinc/57/31/45/384573145.db2.gz JEVKIORZIDHDCM-WPRPVWTQSA-N 1 2 239.344 0.830 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000310029558 384575975 /nfs/dbraw/zinc/57/59/75/384575975.db2.gz QQMUQXYTZMLSFX-OPRDCNLKSA-N 1 2 233.308 0.171 20 0 BCADLO Cn1cnc2c1CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000363472482 384577556 /nfs/dbraw/zinc/57/75/56/384577556.db2.gz QSHYEPAFIVZHFS-SECBINFHSA-N 1 2 207.277 0.567 20 0 BCADLO Cn1cnc2c1CC[N@H+]([C@@H]1CCOC1)C2 ZINC000363472482 384577562 /nfs/dbraw/zinc/57/75/62/384577562.db2.gz QSHYEPAFIVZHFS-SECBINFHSA-N 1 2 207.277 0.567 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@@H]1CCOC1)C2 ZINC000363472482 384577565 /nfs/dbraw/zinc/57/75/65/384577565.db2.gz QSHYEPAFIVZHFS-SECBINFHSA-N 1 2 207.277 0.567 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000097989539 384583745 /nfs/dbraw/zinc/58/37/45/384583745.db2.gz ARXHTCZDNRCJPS-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000097989539 384583752 /nfs/dbraw/zinc/58/37/52/384583752.db2.gz ARXHTCZDNRCJPS-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)NCc1ccco1 ZINC000123829723 384586832 /nfs/dbraw/zinc/58/68/32/384586832.db2.gz GXSFYYDGRLRBDQ-UHFFFAOYSA-N 1 2 235.243 0.836 20 0 BCADLO COCC1(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000517941326 384589203 /nfs/dbraw/zinc/58/92/03/384589203.db2.gz NULPUJIUSYUARN-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1CC1 ZINC000531117660 384589740 /nfs/dbraw/zinc/58/97/40/384589740.db2.gz YPZIWFPPDDEQFJ-VIFPVBQESA-N 1 2 243.332 0.601 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000123557512 384566245 /nfs/dbraw/zinc/56/62/45/384566245.db2.gz JQCJYJYSJFEZEC-VIFPVBQESA-N 1 2 245.348 0.333 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@@H]1CCCCNC1=O)C2 ZINC000363473053 384609635 /nfs/dbraw/zinc/60/96/35/384609635.db2.gz XSFOLLKVWIDMGW-GFCCVEGCSA-N 1 2 248.330 0.447 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000172879789 384633026 /nfs/dbraw/zinc/63/30/26/384633026.db2.gz PAAXQUHNIDVDRQ-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000172879789 384633034 /nfs/dbraw/zinc/63/30/34/384633034.db2.gz PAAXQUHNIDVDRQ-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO Cc1cnccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081365428 384616374 /nfs/dbraw/zinc/61/63/74/384616374.db2.gz MYAHFQOXBOZTCO-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cnccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081365428 384616383 /nfs/dbraw/zinc/61/63/83/384616383.db2.gz MYAHFQOXBOZTCO-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccco1 ZINC000184576920 384624071 /nfs/dbraw/zinc/62/40/71/384624071.db2.gz PYTRILLTUUPNIO-NXEZZACHSA-N 1 2 238.287 0.787 20 0 BCADLO CC(=O)Nc1cnn(Cc2c[nH+]cn2C)c1 ZINC000569622652 384626574 /nfs/dbraw/zinc/62/65/74/384626574.db2.gz HDUASGBVLAEGQP-UHFFFAOYSA-N 1 2 219.248 0.623 20 0 BCADLO COC[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000172887202 384631671 /nfs/dbraw/zinc/63/16/71/384631671.db2.gz YLUYQPNIYJPPJD-JTQLQIEISA-N 1 2 225.292 0.267 20 0 BCADLO CC(C)OCC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000647526824 384591704 /nfs/dbraw/zinc/59/17/04/384591704.db2.gz LUIMOSAPYVTFGT-VIFPVBQESA-N 1 2 241.278 0.380 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000520913897 384632008 /nfs/dbraw/zinc/63/20/08/384632008.db2.gz WYZOCUQCMIUHBY-NXEZZACHSA-N 1 2 225.292 0.406 20 0 BCADLO CN(Cc1nnnn1C1CC1)Cc1[nH+]ccn1C ZINC000162324281 384600843 /nfs/dbraw/zinc/60/08/43/384600843.db2.gz JPRHFAFLEUZDSM-UHFFFAOYSA-N 1 2 247.306 0.374 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248044069 384602356 /nfs/dbraw/zinc/60/23/56/384602356.db2.gz MPKFVAJIDWSIPW-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248044069 384602362 /nfs/dbraw/zinc/60/23/62/384602362.db2.gz MPKFVAJIDWSIPW-RKDXNWHRSA-N 1 2 243.307 0.071 20 0 BCADLO Cc1[nH]nc(C(=O)N2CC[NH+](C)CC2)c1C ZINC000082303354 384663237 /nfs/dbraw/zinc/66/32/37/384663237.db2.gz GILPOXPGXHKLED-UHFFFAOYSA-N 1 2 222.292 0.414 20 0 BCADLO O=C(C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363932240 384672354 /nfs/dbraw/zinc/67/23/54/384672354.db2.gz FZOWMEWXXSEROI-NSHDSACASA-N 1 2 224.304 0.330 20 0 BCADLO O=C(C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363932239 384673064 /nfs/dbraw/zinc/67/30/64/384673064.db2.gz FZOWMEWXXSEROI-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561301696 384635207 /nfs/dbraw/zinc/63/52/07/384635207.db2.gz PMPCVXFHOABRTP-PWSUYJOCSA-N 1 2 249.314 0.333 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561301697 384635391 /nfs/dbraw/zinc/63/53/91/384635391.db2.gz PMPCVXFHOABRTP-ZYHUDNBSSA-N 1 2 249.314 0.333 20 0 BCADLO Cc1csc([C@@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)n1 ZINC000309809865 384636389 /nfs/dbraw/zinc/63/63/89/384636389.db2.gz TXNKNIUOGKASSB-ZCFIWIBFSA-N 1 2 239.304 0.714 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000184698947 384638331 /nfs/dbraw/zinc/63/83/31/384638331.db2.gz DKSAHVRPIHNVPY-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000184698947 384638339 /nfs/dbraw/zinc/63/83/39/384638339.db2.gz DKSAHVRPIHNVPY-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000566138621 384642083 /nfs/dbraw/zinc/64/20/83/384642083.db2.gz JXGCGKFSYDXIKG-UHFFFAOYSA-N 1 2 219.288 0.876 20 0 BCADLO CN(C)C(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000566138621 384642092 /nfs/dbraw/zinc/64/20/92/384642092.db2.gz JXGCGKFSYDXIKG-UHFFFAOYSA-N 1 2 219.288 0.876 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000331158807 384648551 /nfs/dbraw/zinc/64/85/51/384648551.db2.gz CDTITBQBWYFLSR-LBPRGKRZSA-N 1 2 239.319 0.796 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1c1cc[nH+]c(C)n1 ZINC000124628694 384660551 /nfs/dbraw/zinc/66/05/51/384660551.db2.gz CQMYXPWZHLHZDX-SNVBAGLBSA-N 1 2 234.303 0.890 20 0 BCADLO C[NH+](C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000185444301 384723210 /nfs/dbraw/zinc/72/32/10/384723210.db2.gz RRKBPQIIGKQBBN-UHFFFAOYSA-N 1 2 223.280 0.572 20 0 BCADLO C[NH+](C)CC(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000185444301 384723221 /nfs/dbraw/zinc/72/32/21/384723221.db2.gz RRKBPQIIGKQBBN-UHFFFAOYSA-N 1 2 223.280 0.572 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)[C@@H](C)O ZINC000309648557 384687307 /nfs/dbraw/zinc/68/73/07/384687307.db2.gz NEXOXVFNMSHOJG-DOLQZWNJSA-N 1 2 229.320 0.933 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000185160591 384688562 /nfs/dbraw/zinc/68/85/62/384688562.db2.gz QQMJDAKSDZJKCX-LURJTMIESA-N 1 2 228.214 0.105 20 0 BCADLO CC(C)[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000185160591 384688569 /nfs/dbraw/zinc/68/85/69/384688569.db2.gz QQMJDAKSDZJKCX-LURJTMIESA-N 1 2 228.214 0.105 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000082680210 384701636 /nfs/dbraw/zinc/70/16/36/384701636.db2.gz NPWJUSIRODNTQR-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000082680210 384701643 /nfs/dbraw/zinc/70/16/43/384701643.db2.gz NPWJUSIRODNTQR-MRVPVSSYSA-N 1 2 237.225 0.775 20 0 BCADLO C[C@H](C(=O)Nc1ccc2[nH]nnc2c1)[NH+](C)C ZINC000635656025 384775126 /nfs/dbraw/zinc/77/51/26/384775126.db2.gz TYJVDUAWWRNZJW-SSDOTTSWSA-N 1 2 233.275 0.847 20 0 BCADLO C[N@H+](Cc1csnn1)CC(C)(C)O ZINC000126401834 384776878 /nfs/dbraw/zinc/77/68/78/384776878.db2.gz RGAXNFQRRIVXRE-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO C[N@@H+](Cc1csnn1)CC(C)(C)O ZINC000126401834 384776885 /nfs/dbraw/zinc/77/68/85/384776885.db2.gz RGAXNFQRRIVXRE-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO CN(Cc1csnn1)Cc1[nH]cc[nH+]1 ZINC000643883099 384730807 /nfs/dbraw/zinc/73/08/07/384730807.db2.gz GBCDSDHGVLKDJS-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC2(C)C)C1 ZINC000620076984 384738191 /nfs/dbraw/zinc/73/81/91/384738191.db2.gz BLWQXSBBVZGBCC-SKDRFNHKSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC2(C)C)C1 ZINC000620076984 384738196 /nfs/dbraw/zinc/73/81/96/384738196.db2.gz BLWQXSBBVZGBCC-SKDRFNHKSA-N 1 2 226.320 0.622 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000111850977 384756631 /nfs/dbraw/zinc/75/66/31/384756631.db2.gz OZQYEMCTNCDATP-BQBZGAKWSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000111850977 384756636 /nfs/dbraw/zinc/75/66/36/384756636.db2.gz OZQYEMCTNCDATP-BQBZGAKWSA-N 1 2 241.209 0.547 20 0 BCADLO CC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000052991492 384760735 /nfs/dbraw/zinc/76/07/35/384760735.db2.gz VVYIJFGTGAAZHR-NSCUHMNNSA-N 1 2 202.685 0.903 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000647552851 384762950 /nfs/dbraw/zinc/76/29/50/384762950.db2.gz DJACZSNKQDETTA-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)[C@]1(C)CCCN1Cc1[nH+]ccn1C ZINC000186395123 384837966 /nfs/dbraw/zinc/83/79/66/384837966.db2.gz YRAMKDMNGRVQBV-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)OC2CCC2)CCO1 ZINC000497180906 384781198 /nfs/dbraw/zinc/78/11/98/384781198.db2.gz VTOZZPQPDHBJJS-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)OC2CCC2)CCO1 ZINC000497180906 384781204 /nfs/dbraw/zinc/78/12/04/384781204.db2.gz VTOZZPQPDHBJJS-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc[nH]c1=O ZINC000084081748 384835844 /nfs/dbraw/zinc/83/58/44/384835844.db2.gz AMZXQPJMSMQZOQ-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc[nH]c1=O ZINC000084081748 384835852 /nfs/dbraw/zinc/83/58/52/384835852.db2.gz AMZXQPJMSMQZOQ-UHFFFAOYSA-N 1 2 218.216 0.028 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363780388 384836503 /nfs/dbraw/zinc/83/65/03/384836503.db2.gz ODOBMRMMFCYAKT-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363780388 384836511 /nfs/dbraw/zinc/83/65/11/384836511.db2.gz ODOBMRMMFCYAKT-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000103148184 384810040 /nfs/dbraw/zinc/81/00/40/384810040.db2.gz XTOFIPGKMYQDKW-JTQLQIEISA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000103148184 384810047 /nfs/dbraw/zinc/81/00/47/384810047.db2.gz XTOFIPGKMYQDKW-JTQLQIEISA-N 1 2 213.277 0.826 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)NCc1c[nH+]cn1C ZINC000360290007 384812518 /nfs/dbraw/zinc/81/25/18/384812518.db2.gz OLMOCFOLTPSURW-SCZZXKLOSA-N 1 2 238.291 0.085 20 0 BCADLO COC(=O)[C@]1([NH2+]CCCF)CCOC1 ZINC000308565466 384813407 /nfs/dbraw/zinc/81/34/07/384813407.db2.gz ANWSXDQJVAMUGS-VIFPVBQESA-N 1 2 205.229 0.268 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H](C)COC)C1 ZINC000557200001 384881182 /nfs/dbraw/zinc/88/11/82/384881182.db2.gz OYDCZUHVVWFUOG-VIFPVBQESA-N 1 2 235.349 0.388 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186774858 384881256 /nfs/dbraw/zinc/88/12/56/384881256.db2.gz MRJZTMUKIBGTRB-UHFFFAOYSA-N 1 2 236.315 0.912 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186774858 384881262 /nfs/dbraw/zinc/88/12/62/384881262.db2.gz MRJZTMUKIBGTRB-UHFFFAOYSA-N 1 2 236.315 0.912 20 0 BCADLO Cn1ccnc1C[N@H+](C)CC1(CO)CC1 ZINC000186802355 384882519 /nfs/dbraw/zinc/88/25/19/384882519.db2.gz FZSOCYXVKHTJJN-UHFFFAOYSA-N 1 2 209.293 0.624 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186802355 384882525 /nfs/dbraw/zinc/88/25/25/384882525.db2.gz FZSOCYXVKHTJJN-UHFFFAOYSA-N 1 2 209.293 0.624 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CO1 ZINC000335428303 384838467 /nfs/dbraw/zinc/83/84/67/384838467.db2.gz CBDCIRXQKWBDBI-DTWKUNHWSA-N 1 2 238.291 0.397 20 0 BCADLO CC(=O)NCCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000101728062 384854190 /nfs/dbraw/zinc/85/41/90/384854190.db2.gz FAFMHKCGGCBOIE-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO CC(=O)NCCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000101728062 384854197 /nfs/dbraw/zinc/85/41/97/384854197.db2.gz FAFMHKCGGCBOIE-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccncc1 ZINC000163753369 384855366 /nfs/dbraw/zinc/85/53/66/384855366.db2.gz WTYFXJRDSNPZIM-QWRGUYRKSA-N 1 2 236.271 0.190 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccncc1 ZINC000163753369 384855372 /nfs/dbraw/zinc/85/53/72/384855372.db2.gz WTYFXJRDSNPZIM-QWRGUYRKSA-N 1 2 236.271 0.190 20 0 BCADLO O=C1CC[N@H+](Cc2cscn2)CCN1 ZINC000054867856 384858727 /nfs/dbraw/zinc/85/87/27/384858727.db2.gz ZIRITKKEFRAWSW-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO O=C1CC[N@@H+](Cc2cscn2)CCN1 ZINC000054867856 384858731 /nfs/dbraw/zinc/85/87/31/384858731.db2.gz ZIRITKKEFRAWSW-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO CS(=O)(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000112553285 384859018 /nfs/dbraw/zinc/85/90/18/384859018.db2.gz KIVYCHYBSIRYTK-UHFFFAOYSA-N 1 2 241.316 0.811 20 0 BCADLO Cn1c[nH+]cc1CN1CCC[C@@]12CCOC2=O ZINC000186664321 384865821 /nfs/dbraw/zinc/86/58/21/384865821.db2.gz XTISMAORHKYBTQ-LBPRGKRZSA-N 1 2 235.287 0.702 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2csnn2)[C@H]1OC ZINC000309958310 384953840 /nfs/dbraw/zinc/95/38/40/384953840.db2.gz JSNBWOIGUUOUPB-IVZWLZJFSA-N 1 2 243.332 0.820 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1[nH+]ccn1C ZINC000057600910 384956220 /nfs/dbraw/zinc/95/62/20/384956220.db2.gz GUSGMGSRJGMVIM-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO Cc1cnc(C(=O)N2CCc3c([nH+]cn3C)C2)o1 ZINC000644455610 384893662 /nfs/dbraw/zinc/89/36/62/384893662.db2.gz NLCRMEFWJMMBIQ-UHFFFAOYSA-N 1 2 246.270 0.915 20 0 BCADLO O=S(=O)(C1CC1)N1CCc2c[nH+]ccc21 ZINC000175316130 384893739 /nfs/dbraw/zinc/89/37/39/384893739.db2.gz GKWOYNSSAFSWOM-UHFFFAOYSA-N 1 2 224.285 0.936 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)C[C@@H]1CCCO1 ZINC000177176243 384900294 /nfs/dbraw/zinc/90/02/94/384900294.db2.gz NKTVNQUYYYWGOP-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1ncnn1C)C[C@@H]1CCCO1 ZINC000177176243 384900303 /nfs/dbraw/zinc/90/03/03/384900303.db2.gz NKTVNQUYYYWGOP-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CO[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000056150857 384906760 /nfs/dbraw/zinc/90/67/60/384906760.db2.gz NTRLJBCMHNBJHO-SECBINFHSA-N 1 2 237.303 0.799 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000051818156 384910901 /nfs/dbraw/zinc/91/09/01/384910901.db2.gz OSNFKVSAXSPLFT-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO CC(C)(C)c1nc(NC[C@H](O)CO)cc[nH+]1 ZINC000301718148 384913193 /nfs/dbraw/zinc/91/31/93/384913193.db2.gz LGXDLQNOJGFLSF-QMMMGPOBSA-N 1 2 225.292 0.539 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccncn1 ZINC000427654310 384914883 /nfs/dbraw/zinc/91/48/83/384914883.db2.gz MWONMFOAYDUCDE-UHFFFAOYSA-N 1 2 216.200 0.251 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000051821520 384919553 /nfs/dbraw/zinc/91/95/53/384919553.db2.gz UTLMTKIDLPANJE-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000051821520 384919560 /nfs/dbraw/zinc/91/95/60/384919560.db2.gz UTLMTKIDLPANJE-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO Cc1nnc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000301794173 384919705 /nfs/dbraw/zinc/91/97/05/384919705.db2.gz XWSFIFBOXCUTBR-APPZFPTMSA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000301794173 384919710 /nfs/dbraw/zinc/91/97/10/384919710.db2.gz XWSFIFBOXCUTBR-APPZFPTMSA-N 1 2 242.348 0.978 20 0 BCADLO CN(Cc1[nH+]ccn1C)Cc1cnccn1 ZINC000177251717 384931324 /nfs/dbraw/zinc/93/13/24/384931324.db2.gz WPECKRWIWMPBEN-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO C[C@H](CO)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000127699162 384934066 /nfs/dbraw/zinc/93/40/66/384934066.db2.gz AOZGVQFYMULSSM-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO Cc1ccc(NC(=O)[C@H](C)NC(N)=O)c(C)[nH+]1 ZINC000127700844 384934688 /nfs/dbraw/zinc/93/46/88/384934688.db2.gz YUPLDHDQZOKCMC-QMMMGPOBSA-N 1 2 236.275 0.694 20 0 BCADLO COC[C@H](CCO)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367615141 384934983 /nfs/dbraw/zinc/93/49/83/384934983.db2.gz KAKFWODXTHZLNA-ONGXEEELSA-N 1 2 239.319 0.774 20 0 BCADLO CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000647618023 384985679 /nfs/dbraw/zinc/98/56/79/384985679.db2.gz DPHWGDSKSYBHDS-NSHDSACASA-N 1 2 239.275 0.105 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249594694 384989743 /nfs/dbraw/zinc/98/97/43/384989743.db2.gz WLEDLTQLUONYPC-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249594694 384989748 /nfs/dbraw/zinc/98/97/48/384989748.db2.gz WLEDLTQLUONYPC-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@]([NH2+]CCF)(C(N)=O)c1ccccc1 ZINC000336761526 384991534 /nfs/dbraw/zinc/99/15/34/384991534.db2.gz NGRHIEKECFAVEF-NSHDSACASA-N 1 2 210.252 0.946 20 0 BCADLO CO[C@@]1(C[NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000156871894 385001214 /nfs/dbraw/zinc/00/12/14/385001214.db2.gz VBIOMJLUHHCOKJ-LLVKDONJSA-N 1 2 225.292 0.613 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(C(C)(C)C)c1 ZINC000188075407 385009946 /nfs/dbraw/zinc/00/99/46/385009946.db2.gz HAEBQXNSMOJLPW-UHFFFAOYSA-N 1 2 238.335 0.945 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(C(C)(C)C)c1 ZINC000188075407 385009947 /nfs/dbraw/zinc/00/99/47/385009947.db2.gz HAEBQXNSMOJLPW-UHFFFAOYSA-N 1 2 238.335 0.945 20 0 BCADLO CC[C@@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000644611061 385011138 /nfs/dbraw/zinc/01/11/38/385011138.db2.gz KJCVPVZEXOSZTP-MRVPVSSYSA-N 1 2 211.265 0.808 20 0 BCADLO CCN(CC(N)=O)Cc1c[nH+]c2ccc(C)cn12 ZINC000188065724 385011788 /nfs/dbraw/zinc/01/17/88/385011788.db2.gz YXMYFRWDVJFGOB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2ccc(C)cn12 ZINC000188065724 385011794 /nfs/dbraw/zinc/01/17/94/385011794.db2.gz YXMYFRWDVJFGOB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2ccc(C)cn12 ZINC000188065724 385011802 /nfs/dbraw/zinc/01/18/02/385011802.db2.gz YXMYFRWDVJFGOB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO Cn1ncc2c1nc(NCC(F)F)[nH+]c2N ZINC000302875309 385013602 /nfs/dbraw/zinc/01/36/02/385013602.db2.gz FFTSWSCMVUFSAK-UHFFFAOYSA-N 1 2 228.206 0.623 20 0 BCADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccon1 ZINC000644611670 385014273 /nfs/dbraw/zinc/01/42/73/385014273.db2.gz OABNJBMSQDAWMS-JGVFFNPUSA-N 1 2 232.305 0.758 20 0 BCADLO COCCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557570074 385017281 /nfs/dbraw/zinc/01/72/81/385017281.db2.gz JXENCDZUPKHDHN-UHFFFAOYSA-N 1 2 244.335 0.107 20 0 BCADLO CN(CCCCO)c1[nH+]cnc2c1cnn2C ZINC000302783257 385017580 /nfs/dbraw/zinc/01/75/80/385017580.db2.gz TVXCMEARYVYYOS-UHFFFAOYSA-N 1 2 235.291 0.572 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccn1C ZINC000187574194 384961231 /nfs/dbraw/zinc/96/12/31/384961231.db2.gz IZIILWVWSOJJGP-GHMZBOCLSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccn1C ZINC000187574194 384961238 /nfs/dbraw/zinc/96/12/38/384961238.db2.gz IZIILWVWSOJJGP-GHMZBOCLSA-N 1 2 238.287 0.133 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000128854024 384963303 /nfs/dbraw/zinc/96/33/03/384963303.db2.gz YSYMSELUFYDLFW-HTQZYQBOSA-N 1 2 226.280 0.062 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)CSC ZINC000361633805 385058675 /nfs/dbraw/zinc/05/86/75/385058675.db2.gz XHPMFBIUNHOTFU-YUMQZZPRSA-N 1 2 221.322 0.204 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CSC ZINC000361633805 385058679 /nfs/dbraw/zinc/05/86/79/385058679.db2.gz XHPMFBIUNHOTFU-YUMQZZPRSA-N 1 2 221.322 0.204 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646913954 385064656 /nfs/dbraw/zinc/06/46/56/385064656.db2.gz OXUYKUNZOFZPRW-NXEZZACHSA-N 1 2 237.303 0.190 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000644658733 385069649 /nfs/dbraw/zinc/06/96/49/385069649.db2.gz OWTMPMOIGOZRJK-JTQLQIEISA-N 1 2 236.319 0.914 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000644658733 385069663 /nfs/dbraw/zinc/06/96/63/385069663.db2.gz OWTMPMOIGOZRJK-JTQLQIEISA-N 1 2 236.319 0.914 20 0 BCADLO COC(=O)C(C)(C)NCc1[nH+]ccn1C ZINC000051922697 385074456 /nfs/dbraw/zinc/07/44/56/385074456.db2.gz LKFGEWLDHBWEIT-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccn[nH]1 ZINC000131308499 385082727 /nfs/dbraw/zinc/08/27/27/385082727.db2.gz HWUGWKQSHWVBGU-RMLUDKJBSA-N 1 2 215.322 0.656 20 0 BCADLO COC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339723582 385026051 /nfs/dbraw/zinc/02/60/51/385026051.db2.gz GSJTXFZYPHTZBJ-JTQLQIEISA-N 1 2 215.293 0.546 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)[C@@H](O)C1 ZINC000236098592 385026735 /nfs/dbraw/zinc/02/67/35/385026735.db2.gz QWKBVCMYFBHNJW-QWRGUYRKSA-N 1 2 233.271 0.115 20 0 BCADLO C[C@@H](O)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340161228 385040297 /nfs/dbraw/zinc/04/02/97/385040297.db2.gz CUVABMCRPQSLRF-VXNVDRBHSA-N 1 2 238.316 0.926 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000109119849 385045022 /nfs/dbraw/zinc/04/50/22/385045022.db2.gz AVSVBMISKLVYMP-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000109119849 385045029 /nfs/dbraw/zinc/04/50/29/385045029.db2.gz AVSVBMISKLVYMP-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCC[C@@]1([NH2+]CC(=O)OC)CCOC1 ZINC000308740063 385046464 /nfs/dbraw/zinc/04/64/64/385046464.db2.gz OBXNVTFZQFAHJO-SNVBAGLBSA-N 1 2 201.266 0.708 20 0 BCADLO O=C(NCCF)NCCCCn1cc[nH+]c1 ZINC000559659812 385121684 /nfs/dbraw/zinc/12/16/84/385121684.db2.gz FPAWGEJVPWLEPL-UHFFFAOYSA-N 1 2 228.271 0.932 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061709144 385136607 /nfs/dbraw/zinc/13/66/07/385136607.db2.gz ARCAFVXOEBZMPW-SECBINFHSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1occc1C[N@H+]1CC[C@@H](O)C1 ZINC000061709144 385136610 /nfs/dbraw/zinc/13/66/10/385136610.db2.gz ARCAFVXOEBZMPW-SECBINFHSA-N 1 2 225.244 0.633 20 0 BCADLO Cc1nnc(C[N@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000644678390 385089414 /nfs/dbraw/zinc/08/94/14/385089414.db2.gz DCQUBHHXDIJJBK-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000644678390 385089422 /nfs/dbraw/zinc/08/94/22/385089422.db2.gz DCQUBHHXDIJJBK-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)ncn1 ZINC000644679559 385093163 /nfs/dbraw/zinc/09/31/63/385093163.db2.gz XQNLJMGFUZLNRD-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)ncn1 ZINC000644679559 385093169 /nfs/dbraw/zinc/09/31/69/385093169.db2.gz XQNLJMGFUZLNRD-SNVBAGLBSA-N 1 2 234.303 0.495 20 0 BCADLO CO[C@H]1C[NH+](CC(=O)OC(C)(C)C)C[C@@H]1OC ZINC000313003433 385102277 /nfs/dbraw/zinc/10/22/77/385102277.db2.gz WMYRJCAWNLTCTP-UWVGGRQHSA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000341021597 385102405 /nfs/dbraw/zinc/10/24/05/385102405.db2.gz XRRJBGFWKDYHJA-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000341021597 385102409 /nfs/dbraw/zinc/10/24/09/385102409.db2.gz XRRJBGFWKDYHJA-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO CCOc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)s1 ZINC000407950011 385105543 /nfs/dbraw/zinc/10/55/43/385105543.db2.gz YELSANHTNMSGRY-SNVBAGLBSA-N 1 2 243.332 0.894 20 0 BCADLO CCOc1nnc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000407950011 385105547 /nfs/dbraw/zinc/10/55/47/385105547.db2.gz YELSANHTNMSGRY-SNVBAGLBSA-N 1 2 243.332 0.894 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000407950092 385107282 /nfs/dbraw/zinc/10/72/82/385107282.db2.gz UWVJBPYBRWINKM-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000407950092 385107287 /nfs/dbraw/zinc/10/72/87/385107287.db2.gz UWVJBPYBRWINKM-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000530937276 385181891 /nfs/dbraw/zinc/18/18/91/385181891.db2.gz LQYFTGXBEOKWKR-SNVBAGLBSA-N 1 2 247.302 0.537 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000428208698 385182668 /nfs/dbraw/zinc/18/26/68/385182668.db2.gz FEKRYIZSXRZPLV-MRVPVSSYSA-N 1 2 209.297 0.249 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000428208698 385182672 /nfs/dbraw/zinc/18/26/72/385182672.db2.gz FEKRYIZSXRZPLV-MRVPVSSYSA-N 1 2 209.297 0.249 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313674743 385184758 /nfs/dbraw/zinc/18/47/58/385184758.db2.gz JMUFKIJIPBXXAA-GFCCVEGCSA-N 1 2 245.319 0.147 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313674743 385184766 /nfs/dbraw/zinc/18/47/66/385184766.db2.gz JMUFKIJIPBXXAA-GFCCVEGCSA-N 1 2 245.319 0.147 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000177113263 385185392 /nfs/dbraw/zinc/18/53/92/385185392.db2.gz CPOZQXONWHEJJY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000177113263 385185400 /nfs/dbraw/zinc/18/54/00/385185400.db2.gz CPOZQXONWHEJJY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cncc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000189827122 385187333 /nfs/dbraw/zinc/18/73/33/385187333.db2.gz LOMRXOQPGOIEID-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cncc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000189827122 385187338 /nfs/dbraw/zinc/18/73/38/385187338.db2.gz LOMRXOQPGOIEID-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000644785325 385191714 /nfs/dbraw/zinc/19/17/14/385191714.db2.gz SFDROORVKKGJLO-UHFFFAOYSA-N 1 2 225.292 0.989 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000644785325 385191718 /nfs/dbraw/zinc/19/17/18/385191718.db2.gz SFDROORVKKGJLO-UHFFFAOYSA-N 1 2 225.292 0.989 20 0 BCADLO C[C@@H](CO)N(C)c1nc[nH+]c(N)c1Cl ZINC000235113636 385192979 /nfs/dbraw/zinc/19/29/79/385192979.db2.gz POBGSYWCBGUVRV-YFKPBYRVSA-N 1 2 216.672 0.529 20 0 BCADLO C[C@@H](CO)N(C)c1[nH+]cnc(N)c1Cl ZINC000235113636 385192983 /nfs/dbraw/zinc/19/29/83/385192983.db2.gz POBGSYWCBGUVRV-YFKPBYRVSA-N 1 2 216.672 0.529 20 0 BCADLO Cn1cc(C[NH+]2CCC(CO)CC2)nn1 ZINC000230350889 385194335 /nfs/dbraw/zinc/19/43/35/385194335.db2.gz HJTWKCITASRBIR-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO CCCc1nc(C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000177994543 385150689 /nfs/dbraw/zinc/15/06/89/385150689.db2.gz SMTWKBRSJDZCSU-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1nc(C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000177994543 385150697 /nfs/dbraw/zinc/15/06/97/385150697.db2.gz SMTWKBRSJDZCSU-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000336360279 385155917 /nfs/dbraw/zinc/15/59/17/385155917.db2.gz FZMNJCAMXBFBSA-ZJUUUORDSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000336360279 385155920 /nfs/dbraw/zinc/15/59/20/385155920.db2.gz FZMNJCAMXBFBSA-ZJUUUORDSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000336360276 385156485 /nfs/dbraw/zinc/15/64/85/385156485.db2.gz FZMNJCAMXBFBSA-NXEZZACHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000336360276 385156488 /nfs/dbraw/zinc/15/64/88/385156488.db2.gz FZMNJCAMXBFBSA-NXEZZACHSA-N 1 2 238.331 0.907 20 0 BCADLO CN(Cc1cnn(C)c1)Cc1c[nH+]cn1C ZINC000176989474 385164268 /nfs/dbraw/zinc/16/42/68/385164268.db2.gz JWNHBAGBBDOUBX-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO CC(C)([NH2+]CC(=O)NC(N)=O)c1nccs1 ZINC000227633880 385165425 /nfs/dbraw/zinc/16/54/25/385165425.db2.gz YGPRTRDJZVUBOQ-UHFFFAOYSA-N 1 2 242.304 0.163 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000178002513 385169133 /nfs/dbraw/zinc/16/91/33/385169133.db2.gz TYWVCYNGHQEFCJ-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000178002513 385169135 /nfs/dbraw/zinc/16/91/35/385169135.db2.gz TYWVCYNGHQEFCJ-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO C[C@]1([NH2+]C[C@H]2CCC=CO2)CCOC1=O ZINC000291049413 385172156 /nfs/dbraw/zinc/17/21/56/385172156.db2.gz ZUDNHTZJXQKHAA-KOLCDFICSA-N 1 2 211.261 0.974 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000178009716 385172504 /nfs/dbraw/zinc/17/25/04/385172504.db2.gz HKJFTDQSIKZWQP-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000178009716 385172512 /nfs/dbraw/zinc/17/25/12/385172512.db2.gz HKJFTDQSIKZWQP-LLVKDONJSA-N 1 2 223.276 0.904 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000557823263 385177494 /nfs/dbraw/zinc/17/74/94/385177494.db2.gz WTXQGCUVAPIZNU-BDAKNGLRSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)C(=O)c2ccc[nH]2)CC[N@H+]1C ZINC000334511800 385177803 /nfs/dbraw/zinc/17/78/03/385177803.db2.gz ZWMTZRYARKZOAZ-ZJUUUORDSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)C(=O)c2ccc[nH]2)CC[N@@H+]1C ZINC000334511800 385177821 /nfs/dbraw/zinc/17/78/21/385177821.db2.gz ZWMTZRYARKZOAZ-ZJUUUORDSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000407961817 385179311 /nfs/dbraw/zinc/17/93/11/385179311.db2.gz BBKUZXYEPPDTPA-XKSSXDPKSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000407961817 385179318 /nfs/dbraw/zinc/17/93/18/385179318.db2.gz BBKUZXYEPPDTPA-XKSSXDPKSA-N 1 2 223.276 0.839 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1c[nH+]cn1C ZINC000090233439 385219152 /nfs/dbraw/zinc/21/91/52/385219152.db2.gz AEQHXZAYIWMCTA-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)COC)C1CC1 ZINC000069054659 385256704 /nfs/dbraw/zinc/25/67/04/385256704.db2.gz FRUDSLJMAIYPRS-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)COC)C1CC1 ZINC000069054659 385256711 /nfs/dbraw/zinc/25/67/11/385256711.db2.gz FRUDSLJMAIYPRS-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000290626688 385227683 /nfs/dbraw/zinc/22/76/83/385227683.db2.gz MASFICZAMPTRCG-VIFPVBQESA-N 1 2 211.265 0.461 20 0 BCADLO C[C@]1(O)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000177382945 385231561 /nfs/dbraw/zinc/23/15/61/385231561.db2.gz QAQFHLXKXRASMK-ZDUSSCGKSA-N 1 2 245.282 0.931 20 0 BCADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCO ZINC000153131586 385236086 /nfs/dbraw/zinc/23/60/86/385236086.db2.gz GBEFPDBSHUKBDD-LLVKDONJSA-N 1 2 241.262 0.964 20 0 BCADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCO ZINC000153131586 385236095 /nfs/dbraw/zinc/23/60/95/385236095.db2.gz GBEFPDBSHUKBDD-LLVKDONJSA-N 1 2 241.262 0.964 20 0 BCADLO CCN(CCS(C)(=O)=O)c1cc(C)[nH+]cn1 ZINC000157629370 385237115 /nfs/dbraw/zinc/23/71/15/385237115.db2.gz KLWBQBSHMVHCRR-UHFFFAOYSA-N 1 2 243.332 0.656 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2CO)[nH]1 ZINC000157632849 385239098 /nfs/dbraw/zinc/23/90/98/385239098.db2.gz TURGFTQCWXCEQF-VIFPVBQESA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CCCC[C@H]2CO)[nH]1 ZINC000157632849 385239103 /nfs/dbraw/zinc/23/91/03/385239103.db2.gz TURGFTQCWXCEQF-VIFPVBQESA-N 1 2 224.308 0.714 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCSC1 ZINC000290700287 385257492 /nfs/dbraw/zinc/25/74/92/385257492.db2.gz JXEQHQGAXLZVJU-MRVPVSSYSA-N 1 2 240.332 0.725 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCCOC1 ZINC000290700229 385257790 /nfs/dbraw/zinc/25/77/90/385257790.db2.gz JWMNAEZCUHHWAR-VIFPVBQESA-N 1 2 238.291 0.398 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]CC(F)(F)CO ZINC000308885302 385249411 /nfs/dbraw/zinc/24/94/11/385249411.db2.gz VOPPVIQQIFBNPK-MRVPVSSYSA-N 1 2 219.235 0.489 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC000336396788 385251784 /nfs/dbraw/zinc/25/17/84/385251784.db2.gz OQPSOUVOMPDPFU-HTQZYQBOSA-N 1 2 242.348 0.434 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC000336396788 385251787 /nfs/dbraw/zinc/25/17/87/385251787.db2.gz OQPSOUVOMPDPFU-HTQZYQBOSA-N 1 2 242.348 0.434 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC000336376798 385203377 /nfs/dbraw/zinc/20/33/77/385203377.db2.gz VJFLSOTXGXCLMU-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC000336376798 385203381 /nfs/dbraw/zinc/20/33/81/385203381.db2.gz VJFLSOTXGXCLMU-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000164800324 385308325 /nfs/dbraw/zinc/30/83/25/385308325.db2.gz VADWWPYWOOLBCX-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1cnn(C)n1 ZINC000289710541 385265638 /nfs/dbraw/zinc/26/56/38/385265638.db2.gz GEMANMPQXURBCR-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1cnn(C)n1 ZINC000289710541 385265640 /nfs/dbraw/zinc/26/56/40/385265640.db2.gz GEMANMPQXURBCR-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO C[C@@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)CCO1 ZINC000190984165 385275761 /nfs/dbraw/zinc/27/57/61/385275761.db2.gz STCPQYLETZTDFH-SSDOTTSWSA-N 1 2 248.290 0.171 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000247004336 385276624 /nfs/dbraw/zinc/27/66/24/385276624.db2.gz RJFUSCAHLXWERK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000247004336 385276630 /nfs/dbraw/zinc/27/66/30/385276630.db2.gz RJFUSCAHLXWERK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC12CC2 ZINC000424992041 385286766 /nfs/dbraw/zinc/28/67/66/385286766.db2.gz UXQFVDKTBPHKLQ-SECBINFHSA-N 1 2 205.261 0.942 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc[nH]n1 ZINC000130880260 385291615 /nfs/dbraw/zinc/29/16/15/385291615.db2.gz NNAZVSLYHSKATK-RMLUDKJBSA-N 1 2 215.322 0.609 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc[nH]n1 ZINC000130880260 385291618 /nfs/dbraw/zinc/29/16/18/385291618.db2.gz NNAZVSLYHSKATK-RMLUDKJBSA-N 1 2 215.322 0.609 20 0 BCADLO CCOCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000292224047 385293024 /nfs/dbraw/zinc/29/30/24/385293024.db2.gz FDTITZQNNUGQTB-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO O=C1[C@H]2CCCCN2C(=O)N1CCn1cc[nH+]c1 ZINC000272256709 385294184 /nfs/dbraw/zinc/29/41/84/385294184.db2.gz PWDOWBLNSIVHJV-SNVBAGLBSA-N 1 2 248.286 0.700 20 0 BCADLO OC1(C[NH2+]Cc2noc(C3CC3)n2)CCC1 ZINC000562990939 385333636 /nfs/dbraw/zinc/33/36/36/385333636.db2.gz INJBSUBXVZUOLA-UHFFFAOYSA-N 1 2 223.276 0.952 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408457270 385346471 /nfs/dbraw/zinc/34/64/71/385346471.db2.gz OEXNCEVZXVNKNL-BDAKNGLRSA-N 1 2 241.291 0.990 20 0 BCADLO CO[C@H](C)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408457270 385346475 /nfs/dbraw/zinc/34/64/75/385346475.db2.gz OEXNCEVZXVNKNL-BDAKNGLRSA-N 1 2 241.291 0.990 20 0 BCADLO Cn1cnc(CNc2nc[nH+]c(N)c2Cl)n1 ZINC000192350148 385353527 /nfs/dbraw/zinc/35/35/27/385353527.db2.gz MLKSBUIXMYCDIA-UHFFFAOYSA-N 1 2 239.670 0.453 20 0 BCADLO Cn1cnc(CNc2[nH+]cnc(N)c2Cl)n1 ZINC000192350148 385353531 /nfs/dbraw/zinc/35/35/31/385353531.db2.gz MLKSBUIXMYCDIA-UHFFFAOYSA-N 1 2 239.670 0.453 20 0 BCADLO CO[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154816397 385358195 /nfs/dbraw/zinc/35/81/95/385358195.db2.gz BZFGGTUCFVALLA-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc[nH]n1 ZINC000154811270 385358440 /nfs/dbraw/zinc/35/84/40/385358440.db2.gz YFUIIZIAKMIYHY-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn[nH]1 ZINC000154811270 385358444 /nfs/dbraw/zinc/35/84/44/385358444.db2.gz YFUIIZIAKMIYHY-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO CC[C@@H](COC)NC(=O)NCCn1cc[nH+]c1 ZINC000154882690 385361786 /nfs/dbraw/zinc/36/17/86/385361786.db2.gz BSBTXNHSGKKNIQ-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCNC2=O)s1 ZINC000179069598 385366370 /nfs/dbraw/zinc/36/63/70/385366370.db2.gz CTEPJYJCHSPOEB-SFYZADRCSA-N 1 2 225.317 0.991 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000192696895 385367993 /nfs/dbraw/zinc/36/79/93/385367993.db2.gz JSTLXSJBLVOJOI-VIFPVBQESA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000192696895 385367997 /nfs/dbraw/zinc/36/79/97/385367997.db2.gz JSTLXSJBLVOJOI-VIFPVBQESA-N 1 2 240.307 0.482 20 0 BCADLO CCOC[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000309028780 385378406 /nfs/dbraw/zinc/37/84/06/385378406.db2.gz CIJOYWXNTULWBU-IUCAKERBSA-N 1 2 212.297 0.891 20 0 BCADLO CC(=O)NCCCNc1cc(C)[nH+]cn1 ZINC000110127962 385385642 /nfs/dbraw/zinc/38/56/42/385385642.db2.gz BCZHNJGWSBYEPB-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO C[C@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CCCO1 ZINC000309117859 385423948 /nfs/dbraw/zinc/42/39/48/385423948.db2.gz RUAFSFUYZWJTAL-IUCAKERBSA-N 1 2 210.281 0.472 20 0 BCADLO C[C@H]([NH2+]Cc1ncn(C)n1)[C@H]1CCCO1 ZINC000309117857 385424702 /nfs/dbraw/zinc/42/47/02/385424702.db2.gz RUAFSFUYZWJTAL-DTWKUNHWSA-N 1 2 210.281 0.472 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000193297655 385391766 /nfs/dbraw/zinc/39/17/66/385391766.db2.gz UFTTUGBCZPZFTK-GFCCVEGCSA-N 1 2 237.299 0.695 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000193297655 385391770 /nfs/dbraw/zinc/39/17/70/385391770.db2.gz UFTTUGBCZPZFTK-GFCCVEGCSA-N 1 2 237.299 0.695 20 0 BCADLO COCC[C@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000309059280 385395200 /nfs/dbraw/zinc/39/52/00/385395200.db2.gz VSAVOQKHJZHOAU-IUCAKERBSA-N 1 2 219.281 0.189 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cocn1 ZINC000309058788 385396058 /nfs/dbraw/zinc/39/60/58/385396058.db2.gz VPLKIRFXBUCXJN-QMMMGPOBSA-N 1 2 232.305 0.587 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309059339 385396359 /nfs/dbraw/zinc/39/63/59/385396359.db2.gz NYYZYNIHFGQQQS-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309059339 385396361 /nfs/dbraw/zinc/39/63/61/385396361.db2.gz NYYZYNIHFGQQQS-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408012747 385398426 /nfs/dbraw/zinc/39/84/26/385398426.db2.gz DOVWUUBSRWGOAC-VIFPVBQESA-N 1 2 238.291 0.296 20 0 BCADLO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408012747 385398428 /nfs/dbraw/zinc/39/84/28/385398428.db2.gz DOVWUUBSRWGOAC-VIFPVBQESA-N 1 2 238.291 0.296 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC000309108503 385425872 /nfs/dbraw/zinc/42/58/72/385425872.db2.gz NDQIRDVVFCJSCI-VIFPVBQESA-N 1 2 215.293 0.689 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000362069838 385417329 /nfs/dbraw/zinc/41/73/29/385417329.db2.gz FRLQJDYLDMGQMB-BDAKNGLRSA-N 1 2 210.281 0.690 20 0 BCADLO CO[C@H](C)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000362069838 385417332 /nfs/dbraw/zinc/41/73/32/385417332.db2.gz FRLQJDYLDMGQMB-BDAKNGLRSA-N 1 2 210.281 0.690 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492820270 385440621 /nfs/dbraw/zinc/44/06/21/385440621.db2.gz AVZQZDIMLREVSI-VSQXVHSFSA-N 1 2 235.287 0.796 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000182400432 385444288 /nfs/dbraw/zinc/44/42/88/385444288.db2.gz VKYBFPPORJFZAL-SNVBAGLBSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000182400432 385444291 /nfs/dbraw/zinc/44/42/91/385444291.db2.gz VKYBFPPORJFZAL-SNVBAGLBSA-N 1 2 227.264 0.173 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@@H]1CCNC1=O ZINC000179169627 385448638 /nfs/dbraw/zinc/44/86/38/385448638.db2.gz RLIHUOSAXLOWDZ-SNVBAGLBSA-N 1 2 205.261 0.402 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@@H]1CCNC1=O ZINC000179169627 385448640 /nfs/dbraw/zinc/44/86/40/385448640.db2.gz RLIHUOSAXLOWDZ-SNVBAGLBSA-N 1 2 205.261 0.402 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1COCCO1 ZINC000170956962 385458338 /nfs/dbraw/zinc/45/83/38/385458338.db2.gz BXKRIHXURJPEOC-JTQLQIEISA-N 1 2 222.244 0.744 20 0 BCADLO Cn1c(C[N@@H+]2CCC[C@H](O)C2)nnc1C1CC1 ZINC000195010689 385456330 /nfs/dbraw/zinc/45/63/30/385456330.db2.gz RUPNUIARBUNDMB-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CCC[C@H](O)C2)nnc1C1CC1 ZINC000195010689 385456334 /nfs/dbraw/zinc/45/63/34/385456334.db2.gz RUPNUIARBUNDMB-JTQLQIEISA-N 1 2 236.319 0.649 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000309141313 385432507 /nfs/dbraw/zinc/43/25/07/385432507.db2.gz HDWCZUFLUOAVOV-RKDXNWHRSA-N 1 2 233.333 0.660 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000309141310 385433390 /nfs/dbraw/zinc/43/33/90/385433390.db2.gz HDWCZUFLUOAVOV-BDAKNGLRSA-N 1 2 233.333 0.660 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1ccon1 ZINC000194415841 385434149 /nfs/dbraw/zinc/43/41/49/385434149.db2.gz SIDAZGWWGRTNGY-UHFFFAOYSA-N 1 2 230.231 0.904 20 0 BCADLO C[C@@H]([N@H+](C)Cc1nnn(C)n1)C1(C)CC1 ZINC000194440351 385435890 /nfs/dbraw/zinc/43/58/90/385435890.db2.gz QTONUVOCZOQXFX-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]([N@@H+](C)Cc1nnn(C)n1)C1(C)CC1 ZINC000194440351 385435892 /nfs/dbraw/zinc/43/58/92/385435892.db2.gz QTONUVOCZOQXFX-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(C)OCCO1 ZINC000179469860 385466742 /nfs/dbraw/zinc/46/67/42/385466742.db2.gz SMLFITCJASXKFY-UHFFFAOYSA-N 1 2 249.274 0.538 20 0 BCADLO c1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n[nH]1 ZINC000179470977 385468223 /nfs/dbraw/zinc/46/82/23/385468223.db2.gz IBXWRURETNOZAE-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n[nH]1 ZINC000179470977 385468225 /nfs/dbraw/zinc/46/82/25/385468225.db2.gz IBXWRURETNOZAE-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000183928537 385469106 /nfs/dbraw/zinc/46/91/06/385469106.db2.gz YPMFVPBWSBAOIK-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000183928537 385469108 /nfs/dbraw/zinc/46/91/08/385469108.db2.gz YPMFVPBWSBAOIK-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H](O)CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000179509347 385469159 /nfs/dbraw/zinc/46/91/59/385469159.db2.gz AOZCEBRSWSVDMM-JTQLQIEISA-N 1 2 240.307 0.295 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000183928521 385471107 /nfs/dbraw/zinc/47/11/07/385471107.db2.gz YPMFVPBWSBAOIK-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000183928521 385471113 /nfs/dbraw/zinc/47/11/13/385471113.db2.gz YPMFVPBWSBAOIK-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](CC(N)=O)C(C)C ZINC000179660794 385481870 /nfs/dbraw/zinc/48/18/70/385481870.db2.gz RXADIMHVJLSCAQ-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cc1n[nH]cc1C[N@H+](CC(N)=O)C(C)C ZINC000179660794 385481873 /nfs/dbraw/zinc/48/18/73/385481873.db2.gz RXADIMHVJLSCAQ-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)C(N)=O ZINC000309216087 385483951 /nfs/dbraw/zinc/48/39/51/385483951.db2.gz UJWFHWIJKBHKNI-VDTYLAMSSA-N 1 2 228.321 0.761 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000179707932 385486662 /nfs/dbraw/zinc/48/66/62/385486662.db2.gz ZOSXOMOUFJPRBU-GFCCVEGCSA-N 1 2 238.287 0.617 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000179707932 385486665 /nfs/dbraw/zinc/48/66/65/385486665.db2.gz ZOSXOMOUFJPRBU-GFCCVEGCSA-N 1 2 238.287 0.617 20 0 BCADLO COC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000309196082 385461182 /nfs/dbraw/zinc/46/11/82/385461182.db2.gz QNQQWOLENVSWAW-QWRGUYRKSA-N 1 2 213.277 0.707 20 0 BCADLO CC(C)OC(=O)CC[NH+]1CCOCC1 ZINC000157322414 385495627 /nfs/dbraw/zinc/49/56/27/385495627.db2.gz WJWDXKZWIURMMN-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1c[nH+]c[nH]1 ZINC000179898575 385498572 /nfs/dbraw/zinc/49/85/72/385498572.db2.gz ZGUHUEXDBBHCPK-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1c[nH]c[nH+]1 ZINC000179898575 385498576 /nfs/dbraw/zinc/49/85/76/385498576.db2.gz ZGUHUEXDBBHCPK-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO COC(=O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171672386 385504940 /nfs/dbraw/zinc/50/49/40/385504940.db2.gz NNUCDRHXROEBOH-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000364957234 385547332 /nfs/dbraw/zinc/54/73/32/385547332.db2.gz VSGGQCADDXGBMK-MVWJERBFSA-N 1 2 248.330 0.506 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000364957234 385547334 /nfs/dbraw/zinc/54/73/34/385547334.db2.gz VSGGQCADDXGBMK-MVWJERBFSA-N 1 2 248.330 0.506 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106583399 385519582 /nfs/dbraw/zinc/51/95/82/385519582.db2.gz ADPOVZJPJHZOKL-NSHDSACASA-N 1 2 242.367 0.284 20 0 BCADLO CN(CCCCCO)C(=O)Cn1cc[nH+]c1 ZINC000309309354 385526204 /nfs/dbraw/zinc/52/62/04/385526204.db2.gz DTPHFZOZPZYRJW-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO CC(C)(C(=O)N1CCCCN1)[NH+]1CCOCC1 ZINC000647694154 385551038 /nfs/dbraw/zinc/55/10/38/385551038.db2.gz IGXXORJSWBLFGG-UHFFFAOYSA-N 1 2 241.335 0.224 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](CO)C1CC1 ZINC000493197004 385554114 /nfs/dbraw/zinc/55/41/14/385554114.db2.gz XWRWORYDTRBHNJ-HMDXOVGESA-N 1 2 235.287 0.558 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493298034 385559761 /nfs/dbraw/zinc/55/97/61/385559761.db2.gz FGMGYCKXJXNLLL-NUNSBDKSSA-N 1 2 235.287 0.795 20 0 BCADLO CC[C@H]([NH2+][C@@H](CCOC)COC)C(=O)OC ZINC000309395142 385561720 /nfs/dbraw/zinc/56/17/20/385561720.db2.gz UKDKDOMOEYXTNM-UWVGGRQHSA-N 1 2 233.308 0.579 20 0 BCADLO CC[N@H+](CCO)Cc1nnc2n1CCCCC2 ZINC000365100578 385599958 /nfs/dbraw/zinc/59/99/58/385599958.db2.gz LDDNFKXJCBXYKL-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc2n1CCCCC2 ZINC000365100578 385599963 /nfs/dbraw/zinc/59/99/63/385599963.db2.gz LDDNFKXJCBXYKL-UHFFFAOYSA-N 1 2 238.335 0.819 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)O ZINC000280784333 385605192 /nfs/dbraw/zinc/60/51/92/385605192.db2.gz KKXSVJVEEDSNNR-VIFPVBQESA-N 1 2 225.292 0.549 20 0 BCADLO Cc1nc(NCC(F)(F)CO)cc[nH+]1 ZINC000184090395 385585627 /nfs/dbraw/zinc/58/56/27/385585627.db2.gz BXKBDKCRXGEXLZ-UHFFFAOYSA-N 1 2 203.192 0.825 20 0 BCADLO O=C(c1ccon1)N1CCn2cc[nH+]c2C1 ZINC000408165147 385586362 /nfs/dbraw/zinc/58/63/62/385586362.db2.gz PUYLURLAXJWUBG-UHFFFAOYSA-N 1 2 218.216 0.527 20 0 BCADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000408166821 385590137 /nfs/dbraw/zinc/59/01/37/385590137.db2.gz UVOVVZXTYZXYSH-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000365668804 385590752 /nfs/dbraw/zinc/59/07/52/385590752.db2.gz YZXXLHQVJRQXOQ-NSHDSACASA-N 1 2 236.319 0.235 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000365668804 385590756 /nfs/dbraw/zinc/59/07/56/385590756.db2.gz YZXXLHQVJRQXOQ-NSHDSACASA-N 1 2 236.319 0.235 20 0 BCADLO CCONC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367756531 385614289 /nfs/dbraw/zinc/61/42/89/385614289.db2.gz GGWQBASDEQDKOL-SSDOTTSWSA-N 1 2 224.264 0.518 20 0 BCADLO CCONC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367756531 385614291 /nfs/dbraw/zinc/61/42/91/385614291.db2.gz GGWQBASDEQDKOL-SSDOTTSWSA-N 1 2 224.264 0.518 20 0 BCADLO O=C(C1=CCCCO1)N1CCn2c[nH+]cc2C1 ZINC000365689936 385614529 /nfs/dbraw/zinc/61/45/29/385614529.db2.gz VQBQUMPFFFYSJO-UHFFFAOYSA-N 1 2 233.271 0.920 20 0 BCADLO Cc1nnc(N[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000309495048 385616578 /nfs/dbraw/zinc/61/65/78/385616578.db2.gz TUUSWVVFBFPZNZ-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000365161339 385620659 /nfs/dbraw/zinc/62/06/59/385620659.db2.gz UYZPTYDBMBBJLE-NEPJUHHUSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000365161339 385620662 /nfs/dbraw/zinc/62/06/62/385620662.db2.gz UYZPTYDBMBBJLE-NEPJUHHUSA-N 1 2 249.314 0.980 20 0 BCADLO CC1(C)C[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000387769963 385623613 /nfs/dbraw/zinc/62/36/13/385623613.db2.gz BXAJOXLUONTFLJ-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO CC1(C)C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000387769963 385623620 /nfs/dbraw/zinc/62/36/20/385623620.db2.gz BXAJOXLUONTFLJ-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493851091 385631739 /nfs/dbraw/zinc/63/17/39/385631739.db2.gz JEMXUTMOIJDPPH-ZYOFXKKJSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1nc(C[N@@H+](C)CC2(O)CCC2)no1 ZINC000408173764 385607326 /nfs/dbraw/zinc/60/73/26/385607326.db2.gz MVJXHHNKRNJQFS-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+](C)CC2(O)CCC2)no1 ZINC000408173764 385607331 /nfs/dbraw/zinc/60/73/31/385607331.db2.gz MVJXHHNKRNJQFS-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000269569408 385610459 /nfs/dbraw/zinc/61/04/59/385610459.db2.gz AKRGISQZSAQRME-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000269569408 385610463 /nfs/dbraw/zinc/61/04/63/385610463.db2.gz AKRGISQZSAQRME-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO CC(C)(C)[C@@H](CCO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336652987 385664569 /nfs/dbraw/zinc/66/45/69/385664569.db2.gz FVYFIWBGDBVUNR-SSDOTTSWSA-N 1 2 228.296 0.397 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@]12CCOC2 ZINC000365700730 385639768 /nfs/dbraw/zinc/63/97/68/385639768.db2.gz ZPAWYNWMUJWTLD-PWSUYJOCSA-N 1 2 235.287 0.463 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000353136254 385642277 /nfs/dbraw/zinc/64/22/77/385642277.db2.gz KQABXJOOXYRHDC-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000353136254 385642284 /nfs/dbraw/zinc/64/22/84/385642284.db2.gz KQABXJOOXYRHDC-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)C2CC2)c[nH+]1 ZINC000269862147 385642542 /nfs/dbraw/zinc/64/25/42/385642542.db2.gz REKYJVWORVNKGQ-VIFPVBQESA-N 1 2 209.249 0.219 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC(OCCO)CC1 ZINC000354032680 385650727 /nfs/dbraw/zinc/65/07/27/385650727.db2.gz CVCBYGONVFABLZ-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO CC(C)COCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000337404569 385650828 /nfs/dbraw/zinc/65/08/28/385650828.db2.gz ISMHLFPOHNOEAQ-ZDUSSCGKSA-N 1 2 244.379 0.657 20 0 BCADLO CC(C)COCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000337431667 385658725 /nfs/dbraw/zinc/65/87/25/385658725.db2.gz VKWDGUZUHNWWCP-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000337431667 385658733 /nfs/dbraw/zinc/65/87/33/385658733.db2.gz VKWDGUZUHNWWCP-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCOC1 ZINC000380172226 385659304 /nfs/dbraw/zinc/65/93/04/385659304.db2.gz LDAUVSDDQNJWFY-MRVPVSSYSA-N 1 2 209.249 0.371 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccon1 ZINC000309526109 385661384 /nfs/dbraw/zinc/66/13/84/385661384.db2.gz COVULECHFQFRNU-QMMMGPOBSA-N 1 2 223.276 0.851 20 0 BCADLO CC[C@H]([NH2+][C@H](COC)c1ccco1)C(N)=O ZINC000184530035 385672092 /nfs/dbraw/zinc/67/20/92/385672092.db2.gz KYWCGYHSWWXDGZ-DTWKUNHWSA-N 1 2 226.276 0.821 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCNC1=O)c1ccco1 ZINC000184533250 385673935 /nfs/dbraw/zinc/67/39/35/385673935.db2.gz ZWNCPKNPKHAGQG-DTWKUNHWSA-N 1 2 224.260 0.445 20 0 BCADLO Cn1nccc1CNc1ccc(CO)c[nH+]1 ZINC000336684804 385677852 /nfs/dbraw/zinc/67/78/52/385677852.db2.gz RJSOZZJODPJXKL-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]1C ZINC000645218073 385679554 /nfs/dbraw/zinc/67/95/54/385679554.db2.gz BJGJEJJTPVJJFT-YUMQZZPRSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]1C ZINC000645218073 385679559 /nfs/dbraw/zinc/67/95/59/385679559.db2.gz BJGJEJJTPVJJFT-YUMQZZPRSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CCN(c2nccs2)CC1 ZINC000060059679 385681306 /nfs/dbraw/zinc/68/13/06/385681306.db2.gz ILRUBHBWTFTHTH-MRVPVSSYSA-N 1 2 240.332 0.139 20 0 BCADLO Nc1ncc(CN2CCn3cc[nH+]c3C2)s1 ZINC000086766203 385684019 /nfs/dbraw/zinc/68/40/19/385684019.db2.gz PDFLODOUOHEZMG-UHFFFAOYSA-N 1 2 235.316 0.938 20 0 BCADLO COC[C@H]([NH2+]CC(=O)N(C)C)c1ccco1 ZINC000184614348 385684959 /nfs/dbraw/zinc/68/49/59/385684959.db2.gz QEQBGKPLAGSIFJ-VIFPVBQESA-N 1 2 226.276 0.645 20 0 BCADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195541 385687853 /nfs/dbraw/zinc/68/78/53/385687853.db2.gz XUKAFAGTCPODCM-SECBINFHSA-N 1 2 245.298 0.512 20 0 BCADLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195541 385687858 /nfs/dbraw/zinc/68/78/58/385687858.db2.gz XUKAFAGTCPODCM-SECBINFHSA-N 1 2 245.298 0.512 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000408456865 385699605 /nfs/dbraw/zinc/69/96/05/385699605.db2.gz LXLACDNRWCTERZ-KWQFWETISA-N 1 2 213.277 0.237 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000408456865 385699606 /nfs/dbraw/zinc/69/96/06/385699606.db2.gz LXLACDNRWCTERZ-KWQFWETISA-N 1 2 213.277 0.237 20 0 BCADLO COC(=O)C1=C(C)O[C@H](C[NH+]2CCOCC2)C1 ZINC000270373617 385701583 /nfs/dbraw/zinc/70/15/83/385701583.db2.gz BZMKKYKEZBGZSM-JTQLQIEISA-N 1 2 241.287 0.555 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000122654912 385716673 /nfs/dbraw/zinc/71/66/73/385716673.db2.gz WBUNGRFVNLBZFS-YIZRAAEISA-N 1 2 203.282 0.545 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000281403227 385666971 /nfs/dbraw/zinc/66/69/71/385666971.db2.gz ZPUUDAOACWFTOB-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1ncc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000270099911 385670504 /nfs/dbraw/zinc/67/05/04/385670504.db2.gz NTWZPBAPAITLEP-SECBINFHSA-N 1 2 247.302 0.981 20 0 BCADLO CN(C)C(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000337638068 385731714 /nfs/dbraw/zinc/73/17/14/385731714.db2.gz CZWVFOHQEULPHB-UHFFFAOYSA-N 1 2 244.335 0.738 20 0 BCADLO CN(C)C(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000337638068 385731717 /nfs/dbraw/zinc/73/17/17/385731717.db2.gz CZWVFOHQEULPHB-UHFFFAOYSA-N 1 2 244.335 0.738 20 0 BCADLO C[C@@H](O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000270726888 385735425 /nfs/dbraw/zinc/73/54/25/385735425.db2.gz BIMOIPKANJYVHM-SECBINFHSA-N 1 2 233.271 0.374 20 0 BCADLO Cc1c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cnn1C ZINC000282159061 385736789 /nfs/dbraw/zinc/73/67/89/385736789.db2.gz LNZLXZPYSKIRAR-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cnn1C ZINC000282159061 385736791 /nfs/dbraw/zinc/73/67/91/385736791.db2.gz LNZLXZPYSKIRAR-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000336736572 385743385 /nfs/dbraw/zinc/74/33/85/385743385.db2.gz PHZZNYGATCEPOL-HNNXBMFYSA-N 1 2 227.333 0.719 20 0 BCADLO C[N@H+](CCO)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000270784069 385744290 /nfs/dbraw/zinc/74/42/90/385744290.db2.gz PPHLQRVMNXWYPE-JTQLQIEISA-N 1 2 226.251 0.276 20 0 BCADLO C[N@@H+](CCO)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000270784069 385744294 /nfs/dbraw/zinc/74/42/94/385744294.db2.gz PPHLQRVMNXWYPE-JTQLQIEISA-N 1 2 226.251 0.276 20 0 BCADLO CCCCCC(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365760337 385745381 /nfs/dbraw/zinc/74/53/81/385745381.db2.gz YFBPVCNHZBHXFL-VHSXEESVSA-N 1 2 242.319 0.586 20 0 BCADLO Cn1cc[nH+]c1CN1CC(O)(C(F)F)C1 ZINC000335512557 385745653 /nfs/dbraw/zinc/74/56/53/385745653.db2.gz JUDQUMGEXHJZJG-UHFFFAOYSA-N 1 2 217.219 0.232 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+](C)CCOCCO ZINC000183247523 385747473 /nfs/dbraw/zinc/74/74/73/385747473.db2.gz XPJDLMARTIGFGV-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+](C)CCOCCO ZINC000183247523 385747477 /nfs/dbraw/zinc/74/74/77/385747477.db2.gz XPJDLMARTIGFGV-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO Cc1cnc(C[N@H+](C)CCOCCO)s1 ZINC000282285978 385750100 /nfs/dbraw/zinc/75/01/00/385750100.db2.gz FENLGPVRNHDEAY-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCOCCO)s1 ZINC000282285978 385750102 /nfs/dbraw/zinc/75/01/02/385750102.db2.gz FENLGPVRNHDEAY-UHFFFAOYSA-N 1 2 230.333 0.892 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1CCn1cc[nH+]c1 ZINC000270843284 385751190 /nfs/dbraw/zinc/75/11/90/385751190.db2.gz GIRFCKKXSIRNNI-GLKRBJQHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000270843284 385751192 /nfs/dbraw/zinc/75/11/92/385751192.db2.gz GIRFCKKXSIRNNI-GLKRBJQHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCn1ccnc1 ZINC000270843284 385751193 /nfs/dbraw/zinc/75/11/93/385751193.db2.gz GIRFCKKXSIRNNI-GLKRBJQHSA-N 1 2 241.360 0.724 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NC2CC2)n1C ZINC000309620429 385752371 /nfs/dbraw/zinc/75/23/71/385752371.db2.gz DCLYFMMFMSKUFZ-UHFFFAOYSA-N 1 2 222.292 0.097 20 0 BCADLO Cc1c[nH+]c(CNCC(=O)NC2CC2)n1C ZINC000309620429 385752376 /nfs/dbraw/zinc/75/23/76/385752376.db2.gz DCLYFMMFMSKUFZ-UHFFFAOYSA-N 1 2 222.292 0.097 20 0 BCADLO CC[C@@H](Cn1cncn1)[NH2+]CC(F)(F)CO ZINC000336737360 385761729 /nfs/dbraw/zinc/76/17/29/385761729.db2.gz NJDVDCWRZXNWTM-QMMMGPOBSA-N 1 2 234.250 0.274 20 0 BCADLO CC[C@H](Cn1cncn1)[NH2+]CC(F)(F)CO ZINC000336737357 385761965 /nfs/dbraw/zinc/76/19/65/385761965.db2.gz NJDVDCWRZXNWTM-MRVPVSSYSA-N 1 2 234.250 0.274 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000270996301 385766170 /nfs/dbraw/zinc/76/61/70/385766170.db2.gz JFZHCKXWCHKAOF-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000270996301 385766175 /nfs/dbraw/zinc/76/61/75/385766175.db2.gz JFZHCKXWCHKAOF-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000270992755 385768125 /nfs/dbraw/zinc/76/81/25/385768125.db2.gz YEJADZVOLISSNL-LLVKDONJSA-N 1 2 235.287 0.871 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000270992755 385768127 /nfs/dbraw/zinc/76/81/27/385768127.db2.gz YEJADZVOLISSNL-LLVKDONJSA-N 1 2 235.287 0.871 20 0 BCADLO C[NH+](C)CC(=O)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC000647797571 385773962 /nfs/dbraw/zinc/77/39/62/385773962.db2.gz SZBNUNAYGZMXJW-UHFFFAOYSA-N 1 2 234.259 0.769 20 0 BCADLO C[NH+](C)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000647797571 385773964 /nfs/dbraw/zinc/77/39/64/385773964.db2.gz SZBNUNAYGZMXJW-UHFFFAOYSA-N 1 2 234.259 0.769 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000163343675 385775691 /nfs/dbraw/zinc/77/56/91/385775691.db2.gz ODLWMTPWJZVHJD-NXEZZACHSA-N 1 2 209.293 0.967 20 0 BCADLO CC(C)n1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC000340145929 385775897 /nfs/dbraw/zinc/77/58/97/385775897.db2.gz KMDGMHURZFNSSY-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)O ZINC000293979578 385779744 /nfs/dbraw/zinc/77/97/44/385779744.db2.gz MUZDXZIFYBUIEJ-JTQLQIEISA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(C)(C)O ZINC000293979578 385779747 /nfs/dbraw/zinc/77/97/47/385779747.db2.gz MUZDXZIFYBUIEJ-JTQLQIEISA-N 1 2 239.319 0.926 20 0 BCADLO C[C@@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282772805 385784738 /nfs/dbraw/zinc/78/47/38/385784738.db2.gz LXKOFUVTALTMOM-XNPJLODASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282771670 385784841 /nfs/dbraw/zinc/78/48/41/385784841.db2.gz PPGVTVKRYDYBHZ-MRVPVSSYSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282771670 385784848 /nfs/dbraw/zinc/78/48/48/385784848.db2.gz PPGVTVKRYDYBHZ-MRVPVSSYSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282771687 385784866 /nfs/dbraw/zinc/78/48/66/385784866.db2.gz PPGVTVKRYDYBHZ-QMMMGPOBSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282771687 385784870 /nfs/dbraw/zinc/78/48/70/385784870.db2.gz PPGVTVKRYDYBHZ-QMMMGPOBSA-N 1 2 222.292 0.381 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000340121843 385719072 /nfs/dbraw/zinc/71/90/72/385719072.db2.gz RIBGXOQCWNULBY-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCNC2=O)s1 ZINC000336735936 385721997 /nfs/dbraw/zinc/72/19/97/385721997.db2.gz IJPHFKOJPOGHIR-XPUUQOCRSA-N 1 2 240.332 0.776 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000270639115 385725548 /nfs/dbraw/zinc/72/55/48/385725548.db2.gz HXFJOCGFNJSXLJ-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000270639115 385725552 /nfs/dbraw/zinc/72/55/52/385725552.db2.gz HXFJOCGFNJSXLJ-QMMMGPOBSA-N 1 2 240.332 0.694 20 0 BCADLO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336737533 385803103 /nfs/dbraw/zinc/80/31/03/385803103.db2.gz JMOJJGPUBCFSRF-GMSGAONNSA-N 1 2 226.280 0.151 20 0 BCADLO Cn1ccc(C[N@H+](CC(N)=O)C(C)(C)C)n1 ZINC000271205185 385803900 /nfs/dbraw/zinc/80/39/00/385803900.db2.gz ZDANWRDXBODHDE-UHFFFAOYSA-N 1 2 224.308 0.506 20 0 BCADLO Cn1ccc(C[N@@H+](CC(N)=O)C(C)(C)C)n1 ZINC000271205185 385803906 /nfs/dbraw/zinc/80/39/06/385803906.db2.gz ZDANWRDXBODHDE-UHFFFAOYSA-N 1 2 224.308 0.506 20 0 BCADLO CCN(C)C(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283141913 385810482 /nfs/dbraw/zinc/81/04/82/385810482.db2.gz OAUODIJAWGOBOB-SNAWJCMRSA-N 1 2 236.275 0.017 20 0 BCADLO COC(=O)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283187851 385813120 /nfs/dbraw/zinc/81/31/20/385813120.db2.gz QGIDFFOVYIGQSC-NSCUHMNNSA-N 1 2 249.270 0.492 20 0 BCADLO O=S(=O)(CCC1CC1)NCCn1cc[nH+]c1 ZINC000271295441 385815775 /nfs/dbraw/zinc/81/57/75/385815775.db2.gz URRADOPRZQFOEI-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccccn1 ZINC000186945432 385816561 /nfs/dbraw/zinc/81/65/61/385816561.db2.gz RUOKRTAJIFEDIK-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccn1 ZINC000186945432 385816566 /nfs/dbraw/zinc/81/65/66/385816566.db2.gz RUOKRTAJIFEDIK-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)OC ZINC000336737741 385818997 /nfs/dbraw/zinc/81/89/97/385818997.db2.gz NUXYWEMIKXOHPU-AEJSXWLSSA-N 1 2 231.292 0.068 20 0 BCADLO CC[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)OC ZINC000336737742 385819396 /nfs/dbraw/zinc/81/93/96/385819396.db2.gz NUXYWEMIKXOHPU-GUBZILKMSA-N 1 2 231.292 0.068 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000602772621 385820254 /nfs/dbraw/zinc/82/02/54/385820254.db2.gz VROXCOBMRMNMSZ-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000602772621 385820258 /nfs/dbraw/zinc/82/02/58/385820258.db2.gz VROXCOBMRMNMSZ-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1c[nH+]cn1C ZINC000186985018 385822394 /nfs/dbraw/zinc/82/23/94/385822394.db2.gz BRLUQEGFSAMUTB-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](O)CC1 ZINC000284245880 385857681 /nfs/dbraw/zinc/85/76/81/385857681.db2.gz CKJCFBZSSXESCJ-AKAKLSEKSA-N 1 2 235.287 0.843 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCOCC1 ZINC000283594350 385824873 /nfs/dbraw/zinc/82/48/73/385824873.db2.gz XSZBBJNDWUSKOK-OWOJBTEDSA-N 1 2 235.287 0.966 20 0 BCADLO CN(C)c1ncnc(Cl)c1C[N@H+](C)CCO ZINC000283698191 385828081 /nfs/dbraw/zinc/82/80/81/385828081.db2.gz XWUVYVMCDIIGMQ-UHFFFAOYSA-N 1 2 244.726 0.620 20 0 BCADLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCO ZINC000283698191 385828084 /nfs/dbraw/zinc/82/80/84/385828084.db2.gz XWUVYVMCDIIGMQ-UHFFFAOYSA-N 1 2 244.726 0.620 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)CO ZINC000283744682 385829913 /nfs/dbraw/zinc/82/99/13/385829913.db2.gz JDAPTDHQQPGNMZ-ZJUUUORDSA-N 1 2 240.307 0.294 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000095020639 385831574 /nfs/dbraw/zinc/83/15/74/385831574.db2.gz GHPQJWLXVRUSMC-SECBINFHSA-N 1 2 221.260 0.472 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000095020639 385831578 /nfs/dbraw/zinc/83/15/78/385831578.db2.gz GHPQJWLXVRUSMC-SECBINFHSA-N 1 2 221.260 0.472 20 0 BCADLO C[C@H]1[C@H](C(=O)NCc2[nH]cc[nH+]2)C1(F)F ZINC000335680421 385833283 /nfs/dbraw/zinc/83/32/83/385833283.db2.gz YKFILAVSXUNMCR-CAHLUQPWSA-N 1 2 215.203 0.927 20 0 BCADLO 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0.603 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000285811482 385965953 /nfs/dbraw/zinc/96/59/53/385965953.db2.gz VUZQEBVKPZEFMZ-SECBINFHSA-N 1 2 238.291 0.603 20 0 BCADLO Cc1c(C[NH2+]CN2CCC(=O)CC2)cnn1C ZINC000273109879 385969277 /nfs/dbraw/zinc/96/92/77/385969277.db2.gz QZXPEYBHKXDUFY-UHFFFAOYSA-N 1 2 236.319 0.441 20 0 BCADLO Cc1nc(C[N@@H+](C)CC(C)(CO)CO)oc1C ZINC000305146934 385972441 /nfs/dbraw/zinc/97/24/41/385972441.db2.gz YQCBYBNOPZWSRH-UHFFFAOYSA-N 1 2 242.319 0.714 20 0 BCADLO Cc1nc(C[N@H+](C)CC(C)(CO)CO)oc1C ZINC000305146934 385972446 /nfs/dbraw/zinc/97/24/46/385972446.db2.gz YQCBYBNOPZWSRH-UHFFFAOYSA-N 1 2 242.319 0.714 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643460 385998077 /nfs/dbraw/zinc/99/80/77/385998077.db2.gz QVOQPZMEPOOURG-NXEZZACHSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643460 385998083 /nfs/dbraw/zinc/99/80/83/385998083.db2.gz QVOQPZMEPOOURG-NXEZZACHSA-N 1 2 243.351 0.310 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000189438894 386000313 /nfs/dbraw/zinc/00/03/13/386000313.db2.gz FKQNCSHDKQDWEO-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000189438894 386000321 /nfs/dbraw/zinc/00/03/21/386000321.db2.gz FKQNCSHDKQDWEO-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO CC[C@@](C)(O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189385931 386000636 /nfs/dbraw/zinc/00/06/36/386000636.db2.gz KRAWNWHJZOPALV-VXGBXAGGSA-N 1 2 230.352 0.146 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)[C@H]1CCNC1=O ZINC000340221830 386000582 /nfs/dbraw/zinc/00/05/82/386000582.db2.gz RIRSJPVKRXSQCR-IUCAKERBSA-N 1 2 241.335 0.110 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340221830 386000588 /nfs/dbraw/zinc/00/05/88/386000588.db2.gz RIRSJPVKRXSQCR-IUCAKERBSA-N 1 2 241.335 0.110 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000345063738 386001915 /nfs/dbraw/zinc/00/19/15/386001915.db2.gz ZLQXRHHIFZDMDH-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO CN(CCC(N)=O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000286167074 386002572 /nfs/dbraw/zinc/00/25/72/386002572.db2.gz HRGIBHFEYQQEBH-UHFFFAOYSA-N 1 2 246.270 0.282 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000286210409 386009549 /nfs/dbraw/zinc/00/95/49/386009549.db2.gz BGRGWUNARAFOCV-SNVBAGLBSA-N 1 2 225.292 0.767 20 0 BCADLO CO[C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000286245187 386011489 /nfs/dbraw/zinc/01/14/89/386011489.db2.gz DFIPOKZRNQLRLC-MRVPVSSYSA-N 1 2 225.292 0.754 20 0 BCADLO CO[C@@H](C)CS(=O)(=O)Nc1cc[nH+]cc1 ZINC000295315450 386011868 /nfs/dbraw/zinc/01/18/68/386011868.db2.gz NOMOJHPJOHUWGJ-QMMMGPOBSA-N 1 2 230.289 0.858 20 0 BCADLO C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976084 386014992 /nfs/dbraw/zinc/01/49/92/386014992.db2.gz NJNYYCCDTHKHHK-FRRDWIJNSA-N 1 2 240.395 0.010 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)OC ZINC000189503203 386015415 /nfs/dbraw/zinc/01/54/15/386015415.db2.gz XUZUGSZJHCOUFU-GUBZILKMSA-N 1 2 242.319 0.572 20 0 BCADLO COC(=O)c1cn(CCNc2cccc[nH+]2)nn1 ZINC000286304444 386019932 /nfs/dbraw/zinc/01/99/32/386019932.db2.gz DURWUCRKMZJREK-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226324 386020992 /nfs/dbraw/zinc/02/09/92/386020992.db2.gz PKMIYLSGEJDDRZ-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226324 386020999 /nfs/dbraw/zinc/02/09/99/386020999.db2.gz PKMIYLSGEJDDRZ-ZJUUUORDSA-N 1 2 241.335 0.064 20 0 BCADLO CN(c1[nH+]c2ccccc2n1C)[C@@H]1COC[C@H]1O ZINC000286304984 386021567 /nfs/dbraw/zinc/02/15/67/386021567.db2.gz JTHDOWWNKXAXHF-VXGBXAGGSA-N 1 2 247.298 0.769 20 0 BCADLO C[N@H+](Cc1cn2cccnc2n1)[C@@H]1CCNC1=O ZINC000340225513 386025095 /nfs/dbraw/zinc/02/50/95/386025095.db2.gz KQKKRXRTVZEWRL-SNVBAGLBSA-N 1 2 245.286 0.050 20 0 BCADLO C[N@@H+](Cc1cn2cccnc2n1)[C@@H]1CCNC1=O ZINC000340225513 386025101 /nfs/dbraw/zinc/02/51/01/386025101.db2.gz KQKKRXRTVZEWRL-SNVBAGLBSA-N 1 2 245.286 0.050 20 0 BCADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](O)C(F)F ZINC000295409775 386027034 /nfs/dbraw/zinc/02/70/34/386027034.db2.gz HUQUPOKVXCRPOW-XPUUQOCRSA-N 1 2 247.245 0.853 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000159444340 386027694 /nfs/dbraw/zinc/02/76/94/386027694.db2.gz GWOOJDGAINSXHG-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000159444340 386027697 /nfs/dbraw/zinc/02/76/97/386027697.db2.gz GWOOJDGAINSXHG-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@](C)(O)C1CC1 ZINC000286358182 386028221 /nfs/dbraw/zinc/02/82/21/386028221.db2.gz JHNPZFSGRCAWCG-BXKDBHETSA-N 1 2 237.303 0.549 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@](C)(O)C1CC1 ZINC000286358192 386030283 /nfs/dbraw/zinc/03/02/83/386030283.db2.gz JHNPZFSGRCAWCG-JOYOIKCWSA-N 1 2 237.303 0.549 20 0 BCADLO CCOc1nnc(C[N@H+](C)CCC(N)=O)s1 ZINC000286406127 386034971 /nfs/dbraw/zinc/03/49/71/386034971.db2.gz JSYFPXKTZHAZDB-UHFFFAOYSA-N 1 2 244.320 0.244 20 0 BCADLO CCOc1nnc(C[N@@H+](C)CCC(N)=O)s1 ZINC000286406127 386034975 /nfs/dbraw/zinc/03/49/75/386034975.db2.gz JSYFPXKTZHAZDB-UHFFFAOYSA-N 1 2 244.320 0.244 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000286393402 386035536 /nfs/dbraw/zinc/03/55/36/386035536.db2.gz MTRMFGLFQDXJSL-MOVJSRMASA-N 1 2 223.276 0.916 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1c[nH]cn1 ZINC000334432012 386035774 /nfs/dbraw/zinc/03/57/74/386035774.db2.gz BZFIXENUNIKRSE-UHFFFAOYSA-N 1 2 202.217 0.787 20 0 BCADLO CO[C@H](C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000286417823 386038363 /nfs/dbraw/zinc/03/83/63/386038363.db2.gz OIXUDPWPGYPJAU-MRVPVSSYSA-N 1 2 235.291 0.834 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425421638 386041123 /nfs/dbraw/zinc/04/11/23/386041123.db2.gz OAXYOIBCXSBOMV-PHDIDXHHSA-N 1 2 233.218 0.820 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425421638 386041128 /nfs/dbraw/zinc/04/11/28/386041128.db2.gz OAXYOIBCXSBOMV-PHDIDXHHSA-N 1 2 233.218 0.820 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C=CCCC1 ZINC000334436932 386041667 /nfs/dbraw/zinc/04/16/67/386041667.db2.gz QMWSLUVXQQBYFW-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C=CCCC1 ZINC000334436932 386041675 /nfs/dbraw/zinc/04/16/75/386041675.db2.gz QMWSLUVXQQBYFW-RYUDHWBXSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=CCCC1 ZINC000334436930 386042262 /nfs/dbraw/zinc/04/22/62/386042262.db2.gz QMWSLUVXQQBYFW-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=CCCC1 ZINC000334436930 386042264 /nfs/dbraw/zinc/04/22/64/386042264.db2.gz QMWSLUVXQQBYFW-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO CCOCCOCC(=O)NCCc1[nH]cc[nH+]1 ZINC000345175371 386042480 /nfs/dbraw/zinc/04/24/80/386042480.db2.gz WPLDUBCJMLXRGC-UHFFFAOYSA-N 1 2 241.291 0.122 20 0 BCADLO c1nc(N[C@@H]2CCOC2)c2c([nH+]1)NCCO2 ZINC000644881859 386048139 /nfs/dbraw/zinc/04/81/39/386048139.db2.gz DZSXQTPKVZOVTK-SSDOTTSWSA-N 1 2 222.248 0.482 20 0 BCADLO c1nc2c(c(N[C@@H]3CCOC3)[nH+]1)OCCN2 ZINC000644881859 386048145 /nfs/dbraw/zinc/04/81/45/386048145.db2.gz DZSXQTPKVZOVTK-SSDOTTSWSA-N 1 2 222.248 0.482 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC000334439097 386048114 /nfs/dbraw/zinc/04/81/14/386048114.db2.gz UMTAJQHJSQPMJJ-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC000334439097 386048120 /nfs/dbraw/zinc/04/81/20/386048120.db2.gz UMTAJQHJSQPMJJ-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO CNC(=O)C1C[NH+](Cc2nccs2)C1 ZINC000335079228 386051943 /nfs/dbraw/zinc/05/19/43/386051943.db2.gz ZYKLBPMZQYCOCL-UHFFFAOYSA-N 1 2 211.290 0.321 20 0 BCADLO COCCC[N@H+](CCO)CC(=O)OC(C)(C)C ZINC000189867403 386107114 /nfs/dbraw/zinc/10/71/14/386107114.db2.gz HTLSIAXFMDSSOU-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO COCCC[N@@H+](CCO)CC(=O)OC(C)(C)C ZINC000189867403 386107115 /nfs/dbraw/zinc/10/71/15/386107115.db2.gz HTLSIAXFMDSSOU-UHFFFAOYSA-N 1 2 247.335 0.659 20 0 BCADLO CCc1nc(C[N@H+](CCO)CCCOC)no1 ZINC000189871993 386111053 /nfs/dbraw/zinc/11/10/53/386111053.db2.gz JLHARYDGQYTYKI-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1nc(C[N@@H+](CCO)CCCOC)no1 ZINC000189871993 386111061 /nfs/dbraw/zinc/11/10/61/386111061.db2.gz JLHARYDGQYTYKI-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccn(C)n1 ZINC000274489399 386111211 /nfs/dbraw/zinc/11/12/11/386111211.db2.gz SHVUDXPZHKEZGW-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccn(C)n1 ZINC000274489399 386111218 /nfs/dbraw/zinc/11/12/18/386111218.db2.gz SHVUDXPZHKEZGW-RFAUZJTJSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)CO1 ZINC000645390993 386113636 /nfs/dbraw/zinc/11/36/36/386113636.db2.gz ZMXJVWBNQWIBHF-SFYZADRCSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)CO1 ZINC000645390993 386113643 /nfs/dbraw/zinc/11/36/43/386113643.db2.gz ZMXJVWBNQWIBHF-SFYZADRCSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CO1 ZINC000645390991 386114655 /nfs/dbraw/zinc/11/46/55/386114655.db2.gz ZMXJVWBNQWIBHF-JGVFFNPUSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CO1 ZINC000645390991 386114663 /nfs/dbraw/zinc/11/46/63/386114663.db2.gz ZMXJVWBNQWIBHF-JGVFFNPUSA-N 1 2 236.275 0.870 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334461580 386119250 /nfs/dbraw/zinc/11/92/50/386119250.db2.gz PBOWLTPBHZNHNM-LBPRGKRZSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334461580 386119256 /nfs/dbraw/zinc/11/92/56/386119256.db2.gz PBOWLTPBHZNHNM-LBPRGKRZSA-N 1 2 248.330 0.535 20 0 BCADLO Cn1c[nH+]cc1CN(C1CC1)C1COC1 ZINC000295989013 386119215 /nfs/dbraw/zinc/11/92/15/386119215.db2.gz KBUGWKBMZBUNAT-UHFFFAOYSA-N 1 2 207.277 0.783 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000336729481 386120355 /nfs/dbraw/zinc/12/03/55/386120355.db2.gz DDKCQYZEIPSBEF-BQBZGAKWSA-N 1 2 242.348 0.974 20 0 BCADLO COc1cc(C(=O)NCc2[nH+]ccn2C)nn1C ZINC000274568124 386121048 /nfs/dbraw/zinc/12/10/48/386121048.db2.gz DCGZMYXXYKFXEY-UHFFFAOYSA-N 1 2 249.274 0.092 20 0 BCADLO CC(C)Cc1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000286608437 386059093 /nfs/dbraw/zinc/05/90/93/386059093.db2.gz WYJOCGUDOBVRFN-UHFFFAOYSA-N 1 2 240.307 0.575 20 0 BCADLO CC(C)Cc1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000286608437 386059096 /nfs/dbraw/zinc/05/90/96/386059096.db2.gz WYJOCGUDOBVRFN-UHFFFAOYSA-N 1 2 240.307 0.575 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338588494 386063240 /nfs/dbraw/zinc/06/32/40/386063240.db2.gz XPOOWIGJQMNNJC-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338588494 386063248 /nfs/dbraw/zinc/06/32/48/386063248.db2.gz XPOOWIGJQMNNJC-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593661 386069556 /nfs/dbraw/zinc/06/95/56/386069556.db2.gz TVLGUSHULHEHKF-JOYOIKCWSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593661 386069559 /nfs/dbraw/zinc/06/95/59/386069559.db2.gz TVLGUSHULHEHKF-JOYOIKCWSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000425431052 386070063 /nfs/dbraw/zinc/07/00/63/386070063.db2.gz GZLNWGPXYNZAGT-ONGXEEELSA-N 1 2 227.304 0.437 20 0 BCADLO C[C@H](O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000425431052 386070070 /nfs/dbraw/zinc/07/00/70/386070070.db2.gz GZLNWGPXYNZAGT-ONGXEEELSA-N 1 2 227.304 0.437 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622843 386074313 /nfs/dbraw/zinc/07/43/13/386074313.db2.gz FPVZTGOAUMTIGU-GXSJLCMTSA-N 1 2 231.267 0.344 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338622843 386074314 /nfs/dbraw/zinc/07/43/14/386074314.db2.gz FPVZTGOAUMTIGU-GXSJLCMTSA-N 1 2 231.267 0.344 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000223342551 386082165 /nfs/dbraw/zinc/08/21/65/386082165.db2.gz MGQHILVFOYSTOP-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627336 386082447 /nfs/dbraw/zinc/08/24/47/386082447.db2.gz WFFOQYDNGXZEJR-NSHDSACASA-N 1 2 232.299 0.309 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627336 386082454 /nfs/dbraw/zinc/08/24/54/386082454.db2.gz WFFOQYDNGXZEJR-NSHDSACASA-N 1 2 232.299 0.309 20 0 BCADLO O=C(CO)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000345257217 386085134 /nfs/dbraw/zinc/08/51/34/386085134.db2.gz QFCWYBAAKAPMQA-UHFFFAOYSA-N 1 2 245.282 0.540 20 0 BCADLO Cc1[nH+]ccn1CCN1CC[N@@H+](C)C[C@H]1C ZINC000334451041 386090204 /nfs/dbraw/zinc/09/02/04/386090204.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 1 2 222.336 0.827 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CC2(C)C)C[NH2+]1 ZINC000366151762 386145545 /nfs/dbraw/zinc/14/55/45/386145545.db2.gz NHORKEPRHLOBOL-DJLDLDEBSA-N 1 2 240.303 0.052 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCCO2)CCN1C1CC1 ZINC000334474413 386148991 /nfs/dbraw/zinc/14/89/91/386148991.db2.gz KWTOLRGKRHKUCL-LLVKDONJSA-N 1 2 224.304 0.472 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCCO2)CCN1C1CC1 ZINC000334474413 386148997 /nfs/dbraw/zinc/14/89/97/386148997.db2.gz KWTOLRGKRHKUCL-LLVKDONJSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)C1CCC1 ZINC000617306296 386149450 /nfs/dbraw/zinc/14/94/50/386149450.db2.gz ACOUQELCVBFHON-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnn2C)C[C@H](CO)O1 ZINC000190098651 386151760 /nfs/dbraw/zinc/15/17/60/386151760.db2.gz QXWPCFNHAZARIX-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H](CO)O1 ZINC000190098651 386151766 /nfs/dbraw/zinc/15/17/66/386151766.db2.gz QXWPCFNHAZARIX-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343176955 386153451 /nfs/dbraw/zinc/15/34/51/386153451.db2.gz HBPWHTFISXNQSQ-SECBINFHSA-N 1 2 207.277 0.924 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000414368895 386153551 /nfs/dbraw/zinc/15/35/51/386153551.db2.gz HWPKRUQKDOCVAA-NSHDSACASA-N 1 2 248.330 0.879 20 0 BCADLO CCc1ncc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000414368895 386153554 /nfs/dbraw/zinc/15/35/54/386153554.db2.gz HWPKRUQKDOCVAA-NSHDSACASA-N 1 2 248.330 0.879 20 0 BCADLO CCC(CC)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366170271 386160113 /nfs/dbraw/zinc/16/01/13/386160113.db2.gz KJPIFTGUVNNAKF-VHSXEESVSA-N 1 2 242.319 0.442 20 0 BCADLO CC(C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000263705406 386167357 /nfs/dbraw/zinc/16/73/57/386167357.db2.gz ONYVDNMATYLESB-UHFFFAOYSA-N 1 2 231.321 0.459 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H](CO)C1 ZINC000331888087 386167423 /nfs/dbraw/zinc/16/74/23/386167423.db2.gz WRPUOOKTXBLNMV-SNVBAGLBSA-N 1 2 245.282 0.789 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCOC1 ZINC000263904754 386190873 /nfs/dbraw/zinc/19/08/73/386190873.db2.gz HDJPJVOBFSAAGW-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C(N)=O ZINC000287552655 386133718 /nfs/dbraw/zinc/13/37/18/386133718.db2.gz OYTSQNGMJLZNHF-QMMMGPOBSA-N 1 2 236.275 0.694 20 0 BCADLO C[C@H](CF)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000287696884 386143518 /nfs/dbraw/zinc/14/35/18/386143518.db2.gz UFIOFFYYAISDHU-RKDXNWHRSA-N 1 2 228.271 0.929 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](C)OC2=O)c[nH+]1 ZINC000288451868 386201212 /nfs/dbraw/zinc/20/12/12/386201212.db2.gz FUNIJMGLHWRMDY-IYSWYEEDSA-N 1 2 223.232 0.152 20 0 BCADLO Cc1cc(N2CCN(C(C)C)C(=O)C2)nc[nH+]1 ZINC000355565083 386203129 /nfs/dbraw/zinc/20/31/29/386203129.db2.gz LDYOOBIPXOHTDD-UHFFFAOYSA-N 1 2 234.303 0.842 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCOC1CCC1 ZINC000347052660 386206637 /nfs/dbraw/zinc/20/66/37/386206637.db2.gz KECDCYRILKYVQJ-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOC1CCC1 ZINC000347052660 386206639 /nfs/dbraw/zinc/20/66/39/386206639.db2.gz KECDCYRILKYVQJ-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO COC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340284198 386210678 /nfs/dbraw/zinc/21/06/78/386210678.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340284198 386210699 /nfs/dbraw/zinc/21/06/99/386210699.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340284198 386210703 /nfs/dbraw/zinc/21/07/03/386210703.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340284198 386210707 /nfs/dbraw/zinc/21/07/07/386210707.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340284198 386210717 /nfs/dbraw/zinc/21/07/17/386210717.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO COC1(CC[N@H+](C)Cc2nnnn2C)CCC1 ZINC000339018098 386211693 /nfs/dbraw/zinc/21/16/93/386211693.db2.gz SECBOQADEWWUOV-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO COC1(CC[N@@H+](C)Cc2nnnn2C)CCC1 ZINC000339018098 386211696 /nfs/dbraw/zinc/21/16/96/386211696.db2.gz SECBOQADEWWUOV-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358606 386211967 /nfs/dbraw/zinc/21/19/67/386211967.db2.gz GWJUBQJBWSZVBL-UJNFCWOMSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408358606 386211973 /nfs/dbraw/zinc/21/19/73/386211973.db2.gz GWJUBQJBWSZVBL-UJNFCWOMSA-N 1 2 241.291 0.521 20 0 BCADLO COc1cc[nH+]cc1CN(C)S(C)(=O)=O ZINC000288558889 386214092 /nfs/dbraw/zinc/21/40/92/386214092.db2.gz JIMJOGGITONZBT-UHFFFAOYSA-N 1 2 230.289 0.482 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000125024334 386214640 /nfs/dbraw/zinc/21/46/40/386214640.db2.gz TVYYAIXMUNFVNR-LBPRGKRZSA-N 1 2 238.335 0.953 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000125024334 386214641 /nfs/dbraw/zinc/21/46/41/386214641.db2.gz TVYYAIXMUNFVNR-LBPRGKRZSA-N 1 2 238.335 0.953 20 0 BCADLO CSC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000331910758 386214986 /nfs/dbraw/zinc/21/49/86/386214986.db2.gz OMBWIRIERSQCKT-UHFFFAOYSA-N 1 2 211.290 0.922 20 0 BCADLO COC[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264198712 386216153 /nfs/dbraw/zinc/21/61/53/386216153.db2.gz PTPWOYYKLHSFHM-SECBINFHSA-N 1 2 240.307 0.596 20 0 BCADLO CO[C@H](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264227676 386218604 /nfs/dbraw/zinc/21/86/04/386218604.db2.gz VEJBMJZEGLVINM-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)CCn1cccn1 ZINC000347026923 386220519 /nfs/dbraw/zinc/22/05/19/386220519.db2.gz CTXVOMPVPHJUHA-JTQLQIEISA-N 1 2 234.307 0.705 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)CCn1cccn1 ZINC000347026923 386220524 /nfs/dbraw/zinc/22/05/24/386220524.db2.gz CTXVOMPVPHJUHA-JTQLQIEISA-N 1 2 234.307 0.705 20 0 BCADLO Cc1[nH]c(C(=O)NCCNC(=O)C(C)C)c[nH+]1 ZINC000264653498 386259925 /nfs/dbraw/zinc/25/99/25/386259925.db2.gz PGEOMTJUXBGYTP-UHFFFAOYSA-N 1 2 238.291 0.220 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cncn1C ZINC000289089496 386260051 /nfs/dbraw/zinc/26/00/51/386260051.db2.gz BMCUVQOWVFBZRB-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CCS(=O)(=O)N1CC[NH+](CCCF)CC1 ZINC000125127566 386221954 /nfs/dbraw/zinc/22/19/54/386221954.db2.gz WUPYFDQMYCOWCM-UHFFFAOYSA-N 1 2 238.328 0.313 20 0 BCADLO COc1ncccc1C(=O)NCc1[nH+]ccn1C ZINC000264288901 386223839 /nfs/dbraw/zinc/22/38/39/386223839.db2.gz JTCBVFGVVXVJNV-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCCCO ZINC000236096355 386225194 /nfs/dbraw/zinc/22/51/94/386225194.db2.gz JCVZPMWSHIRWPP-UHFFFAOYSA-N 1 2 221.264 0.548 20 0 BCADLO CC[C@](C)(O)CNC(=O)NCc1[nH+]ccn1C ZINC000264320546 386226044 /nfs/dbraw/zinc/22/60/44/386226044.db2.gz TZJBFALKYRZCBK-NSHDSACASA-N 1 2 240.307 0.380 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CC[C@@H]1CCCO1 ZINC000264332063 386226271 /nfs/dbraw/zinc/22/62/71/386226271.db2.gz TUEHEZQFYSZUJM-JTQLQIEISA-N 1 2 237.303 0.996 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000347036571 386226374 /nfs/dbraw/zinc/22/63/74/386226374.db2.gz QYRQZNXALWHIEO-NWDGAFQWSA-N 1 2 241.379 0.927 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(C)CC1 ZINC000347036571 386226379 /nfs/dbraw/zinc/22/63/79/386226379.db2.gz QYRQZNXALWHIEO-NWDGAFQWSA-N 1 2 241.379 0.927 20 0 BCADLO Cc1ccc(CC(=O)NCc2[nH+]ccn2C)cn1 ZINC000264323348 386226364 /nfs/dbraw/zinc/22/63/64/386226364.db2.gz QURAYLFWSFWGDJ-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO C[C@@H](O)CC[N@H+](C)[C@H](C)c1nncn1C ZINC000347041844 386229195 /nfs/dbraw/zinc/22/91/95/386229195.db2.gz BOZAEPOPFVKWHO-RKDXNWHRSA-N 1 2 212.297 0.579 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)[C@H](C)c1nncn1C ZINC000347041844 386229200 /nfs/dbraw/zinc/22/92/00/386229200.db2.gz BOZAEPOPFVKWHO-RKDXNWHRSA-N 1 2 212.297 0.579 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000275681664 386231163 /nfs/dbraw/zinc/23/11/63/386231163.db2.gz PCKUUXWUSZKZGQ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC3)CCO1 ZINC000643333275 386243186 /nfs/dbraw/zinc/24/31/86/386243186.db2.gz OISOHNLHWOIPHG-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC3)CCO1 ZINC000643333275 386243188 /nfs/dbraw/zinc/24/31/88/386243188.db2.gz OISOHNLHWOIPHG-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC3)CCO1 ZINC000643333276 386243264 /nfs/dbraw/zinc/24/32/64/386243264.db2.gz OISOHNLHWOIPHG-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC3)CCO1 ZINC000643333276 386243272 /nfs/dbraw/zinc/24/32/72/386243272.db2.gz OISOHNLHWOIPHG-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000339129318 386253742 /nfs/dbraw/zinc/25/37/42/386253742.db2.gz UFQCQNUFSGUUSP-BDAKNGLRSA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@H](O)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000339129318 386253745 /nfs/dbraw/zinc/25/37/45/386253745.db2.gz UFQCQNUFSGUUSP-BDAKNGLRSA-N 1 2 210.281 0.426 20 0 BCADLO C/C=C/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000263903816 386191719 /nfs/dbraw/zinc/19/17/19/386191719.db2.gz YOAKFZJJKPWHGK-VNKDHWASSA-N 1 2 238.331 0.909 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]1O ZINC000288388204 386193841 /nfs/dbraw/zinc/19/38/41/386193841.db2.gz KOSSBLDWXDDXBQ-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000275237015 386195206 /nfs/dbraw/zinc/19/52/06/386195206.db2.gz FQHVOELLBIPNEH-UHFFFAOYSA-N 1 2 239.275 0.341 20 0 BCADLO Cc1cnc(C(=O)NC2C[NH+](C(C)C)C2)cn1 ZINC000275253173 386196363 /nfs/dbraw/zinc/19/63/63/386196363.db2.gz QBQSHLYKZIMSJK-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ccnc(C(N)=O)c1 ZINC000131197852 386197954 /nfs/dbraw/zinc/19/79/54/386197954.db2.gz GVJAWOUJLISGII-UHFFFAOYSA-N 1 2 245.286 0.550 20 0 BCADLO CO[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000339165052 386281910 /nfs/dbraw/zinc/28/19/10/386281910.db2.gz POKWGHQPGZMJBG-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO Cn1ccc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000289302999 386281953 /nfs/dbraw/zinc/28/19/53/386281953.db2.gz VSTVTYLTPIVIBC-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCCOC2)c[nH+]1 ZINC000264890518 386283156 /nfs/dbraw/zinc/28/31/56/386283156.db2.gz VDOSFYCDQOJKKO-SECBINFHSA-N 1 2 223.276 0.875 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cnn(C)n2)C1 ZINC000289362817 386288955 /nfs/dbraw/zinc/28/89/55/386288955.db2.gz NDMVYOUWULMWCY-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000289362817 386288959 /nfs/dbraw/zinc/28/89/59/386288959.db2.gz NDMVYOUWULMWCY-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO C[C@H](O)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276244813 386289354 /nfs/dbraw/zinc/28/93/54/386289354.db2.gz LEPSERUDGQZUNW-LURJTMIESA-N 1 2 236.279 0.128 20 0 BCADLO C[C@@H](O)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276244816 386290751 /nfs/dbraw/zinc/29/07/51/386290751.db2.gz LEPSERUDGQZUNW-ZCFIWIBFSA-N 1 2 236.279 0.128 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)O)cn2c1 ZINC000276238662 386290909 /nfs/dbraw/zinc/29/09/09/386290909.db2.gz QAVXQZGUJULGRQ-SECBINFHSA-N 1 2 233.271 0.640 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425514611 386290952 /nfs/dbraw/zinc/29/09/52/386290952.db2.gz QRAHSNVKMZHFIK-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425514611 386290954 /nfs/dbraw/zinc/29/09/54/386290954.db2.gz QRAHSNVKMZHFIK-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)nc1 ZINC000336666931 386292389 /nfs/dbraw/zinc/29/23/89/386292389.db2.gz LURHBCHQPRWICY-QWRGUYRKSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)nc1 ZINC000336666931 386292393 /nfs/dbraw/zinc/29/23/93/386292393.db2.gz LURHBCHQPRWICY-QWRGUYRKSA-N 1 2 221.304 0.988 20 0 BCADLO CC(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347293052 386294306 /nfs/dbraw/zinc/29/43/06/386294306.db2.gz SIDXGIIQTZBEGJ-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cc(C[N@H+](C)CCOCCO)nn1C ZINC000336668197 386295249 /nfs/dbraw/zinc/29/52/49/386295249.db2.gz RSGHBXWGWFHFMB-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO Cc1cc(C[N@@H+](C)CCOCCO)nn1C ZINC000336668197 386295255 /nfs/dbraw/zinc/29/52/55/386295255.db2.gz RSGHBXWGWFHFMB-UHFFFAOYSA-N 1 2 227.308 0.169 20 0 BCADLO CC[C@@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276273534 386296361 /nfs/dbraw/zinc/29/63/61/386296361.db2.gz OFHITBLNQBZUDE-LURJTMIESA-N 1 2 236.279 0.128 20 0 BCADLO CN(CC1CC1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000276310443 386298607 /nfs/dbraw/zinc/29/86/07/386298607.db2.gz SCBQAGFEGAHGHD-UHFFFAOYSA-N 1 2 232.291 0.792 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@@H](C)CO)[nH+]cn1 ZINC000298133079 386301514 /nfs/dbraw/zinc/30/15/14/386301514.db2.gz CIVNAXQSCKOAOR-RKDXNWHRSA-N 1 2 240.307 0.310 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@@H](C)CO)nc[nH+]1 ZINC000298133079 386301519 /nfs/dbraw/zinc/30/15/19/386301519.db2.gz CIVNAXQSCKOAOR-RKDXNWHRSA-N 1 2 240.307 0.310 20 0 BCADLO O=C1NCCC[C@H]1[NH+]1CCN(C2CC2)CC1 ZINC000336672515 386302498 /nfs/dbraw/zinc/30/24/98/386302498.db2.gz KKSDUEZZBPSYBR-LLVKDONJSA-N 1 2 223.320 0.045 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)C1 ZINC000334481414 386304712 /nfs/dbraw/zinc/30/47/12/386304712.db2.gz VJYUSAWXTSNLAU-GHMZBOCLSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C)C1 ZINC000334481414 386304714 /nfs/dbraw/zinc/30/47/14/386304714.db2.gz VJYUSAWXTSNLAU-GHMZBOCLSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C)C1 ZINC000334481417 386304755 /nfs/dbraw/zinc/30/47/55/386304755.db2.gz VJYUSAWXTSNLAU-QWRGUYRKSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C)C1 ZINC000334481417 386304758 /nfs/dbraw/zinc/30/47/58/386304758.db2.gz VJYUSAWXTSNLAU-QWRGUYRKSA-N 1 2 226.320 0.576 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](O)CC)C1 ZINC000425518949 386308116 /nfs/dbraw/zinc/30/81/16/386308116.db2.gz NNLBGJCFDTVURR-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](O)CC)C1 ZINC000425518949 386308117 /nfs/dbraw/zinc/30/81/17/386308117.db2.gz NNLBGJCFDTVURR-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)Cc1ccccn1 ZINC000265223286 386317567 /nfs/dbraw/zinc/31/75/67/386317567.db2.gz HJCPGDJKUPVFGO-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccccn1 ZINC000265223286 386317574 /nfs/dbraw/zinc/31/75/74/386317574.db2.gz HJCPGDJKUPVFGO-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nnnn1C1CC1 ZINC000336678941 386317726 /nfs/dbraw/zinc/31/77/26/386317726.db2.gz WTYRPRLTFHUTKA-QMMMGPOBSA-N 1 2 225.296 0.475 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nnnn1C1CC1 ZINC000336678941 386317731 /nfs/dbraw/zinc/31/77/31/386317731.db2.gz WTYRPRLTFHUTKA-QMMMGPOBSA-N 1 2 225.296 0.475 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000289518643 386319912 /nfs/dbraw/zinc/31/99/12/386319912.db2.gz AZINWIWEGWYBLU-APPZFPTMSA-N 1 2 239.275 0.934 20 0 BCADLO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000289518643 386319917 /nfs/dbraw/zinc/31/99/17/386319917.db2.gz AZINWIWEGWYBLU-APPZFPTMSA-N 1 2 239.275 0.934 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000425520697 386321672 /nfs/dbraw/zinc/32/16/72/386321672.db2.gz RIJKWCIPAICPJF-UHFFFAOYSA-N 1 2 241.335 0.413 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(=O)NC(C)C)C1 ZINC000425520697 386321676 /nfs/dbraw/zinc/32/16/76/386321676.db2.gz RIJKWCIPAICPJF-UHFFFAOYSA-N 1 2 241.335 0.413 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccn2C)C1 ZINC000297538337 386264134 /nfs/dbraw/zinc/26/41/34/386264134.db2.gz YHWCCUQZVNFLPZ-UHFFFAOYSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOC1CCC1 ZINC000347177449 386269742 /nfs/dbraw/zinc/26/97/42/386269742.db2.gz XHFGJEZCGNRHPY-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOC1CCC1 ZINC000347177449 386269747 /nfs/dbraw/zinc/26/97/47/386269747.db2.gz XHFGJEZCGNRHPY-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(C)COC2)c[nH+]1 ZINC000264792200 386270676 /nfs/dbraw/zinc/27/06/76/386270676.db2.gz CGVFXYZLMSTMLQ-UHFFFAOYSA-N 1 2 209.249 0.484 20 0 BCADLO O=S1(=O)CCC(C[NH+]2CCOCC2)CC1 ZINC000336654250 386271296 /nfs/dbraw/zinc/27/12/96/386271296.db2.gz ZQMHIPNDIRDYRJ-UHFFFAOYSA-N 1 2 233.333 0.143 20 0 BCADLO Cc1[nH]c(C(=O)NC2CCOCC2)c[nH+]1 ZINC000264817440 386273636 /nfs/dbraw/zinc/27/36/36/386273636.db2.gz GWXHWCKCVPCXNR-UHFFFAOYSA-N 1 2 209.249 0.627 20 0 BCADLO CC(C)[C@@H](NC(=O)c1cn(C)nn1)c1[nH]cc[nH+]1 ZINC000289222534 386274350 /nfs/dbraw/zinc/27/43/50/386274350.db2.gz ABWJHQOJTQGACP-SECBINFHSA-N 1 2 248.290 0.665 20 0 BCADLO COC(C)(C)CC[N@H+](C)Cc1nnnn1C ZINC000336661850 386279248 /nfs/dbraw/zinc/27/92/48/386279248.db2.gz AQPDNSKZYOIZDG-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO COC(C)(C)CC[N@@H+](C)Cc1nnnn1C ZINC000336661850 386279250 /nfs/dbraw/zinc/27/92/50/386279250.db2.gz AQPDNSKZYOIZDG-UHFFFAOYSA-N 1 2 227.312 0.457 20 0 BCADLO C([C@H]1COCCO1)[NH+]1CCN(C2CCC2)CC1 ZINC000336682219 386339678 /nfs/dbraw/zinc/33/96/78/386339678.db2.gz DAFYUHNACMGWOO-ZDUSSCGKSA-N 1 2 240.347 0.572 20 0 BCADLO COC1(CC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000276552556 386344780 /nfs/dbraw/zinc/34/47/80/386344780.db2.gz JHFVWHQSBKQNFW-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)C[C@H](C)O)nc[nH+]1 ZINC000298811982 386386362 /nfs/dbraw/zinc/38/63/62/386386362.db2.gz FYPZZJXSJFAVSU-BDAKNGLRSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CNc1cc(N(C)C[C@H](C)O)[nH+]cn1 ZINC000298811982 386386368 /nfs/dbraw/zinc/38/63/68/386386368.db2.gz FYPZZJXSJFAVSU-BDAKNGLRSA-N 1 2 240.307 0.086 20 0 BCADLO COC(=O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276576258 386346357 /nfs/dbraw/zinc/34/63/57/386346357.db2.gz LPBZBFYHBQGVRO-SNAWJCMRSA-N 1 2 237.259 0.492 20 0 BCADLO CCc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000298453150 386347297 /nfs/dbraw/zinc/34/72/97/386347297.db2.gz KNTHWEMQWPLBCZ-VIFPVBQESA-N 1 2 247.302 0.987 20 0 BCADLO C[C@H](O)C[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276577099 386347429 /nfs/dbraw/zinc/34/74/29/386347429.db2.gz LCRUFBVYCMFVBK-OHINUGQQSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276594670 386348669 /nfs/dbraw/zinc/34/86/69/386348669.db2.gz NNZIMIKANKUKSM-ANNNZRCOSA-N 1 2 237.303 0.946 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)NC1CCCC1 ZINC000647933298 386349946 /nfs/dbraw/zinc/34/99/46/386349946.db2.gz JKBROGVGISJDEA-UHFFFAOYSA-N 1 2 248.330 0.827 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276604717 386352273 /nfs/dbraw/zinc/35/22/73/386352273.db2.gz OWRBWXLLPCYFHB-FBFNWGNUSA-N 1 2 223.276 0.556 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000265623020 386352843 /nfs/dbraw/zinc/35/28/43/386352843.db2.gz BTROTWYIOIXRJK-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000265623020 386352845 /nfs/dbraw/zinc/35/28/45/386352845.db2.gz BTROTWYIOIXRJK-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000335270340 386356465 /nfs/dbraw/zinc/35/64/65/386356465.db2.gz HTBIQEDQLXOXET-GSJFWJNXSA-N 1 2 245.282 0.978 20 0 BCADLO CSC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265655583 386357964 /nfs/dbraw/zinc/35/79/64/386357964.db2.gz YKMFUHTVAOAJMO-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347321577 386359806 /nfs/dbraw/zinc/35/98/06/386359806.db2.gz NNSXRTRUGHQCEB-PUTJDCORSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347321577 386359813 /nfs/dbraw/zinc/35/98/13/386359813.db2.gz NNSXRTRUGHQCEB-PUTJDCORSA-N 1 2 247.360 0.781 20 0 BCADLO C[C@@H](CCO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265691547 386360683 /nfs/dbraw/zinc/36/06/83/386360683.db2.gz FRWGERDPASSGFT-UWVGGRQHSA-N 1 2 240.307 0.342 20 0 BCADLO C[C@H](CCCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276662395 386362075 /nfs/dbraw/zinc/36/20/75/386362075.db2.gz YFOGNOYVOFTTAN-XNPJLODASA-N 1 2 223.276 0.700 20 0 BCADLO CCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347324807 386363982 /nfs/dbraw/zinc/36/39/82/386363982.db2.gz RIFAMMKYLBUGGM-BHDSKKPTSA-N 1 2 219.350 0.864 20 0 BCADLO CCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347324807 386363987 /nfs/dbraw/zinc/36/39/87/386363987.db2.gz RIFAMMKYLBUGGM-BHDSKKPTSA-N 1 2 219.350 0.864 20 0 BCADLO C[N@H+](CCOCCO)Cc1nccn1C(F)F ZINC000265766797 386367843 /nfs/dbraw/zinc/36/78/43/386367843.db2.gz CAVQNYGPSIXJSV-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO C[N@@H+](CCOCCO)Cc1nccn1C(F)F ZINC000265766797 386367853 /nfs/dbraw/zinc/36/78/53/386367853.db2.gz CAVQNYGPSIXJSV-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO C[C@@H](CNC(=O)[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000265798823 386370881 /nfs/dbraw/zinc/37/08/81/386370881.db2.gz JZWNNWXBBDZVNB-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO CCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000339325752 386371245 /nfs/dbraw/zinc/37/12/45/386371245.db2.gz QKNKXKWRUDOHDE-GFCCVEGCSA-N 1 2 241.379 0.929 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@@H]1OC ZINC000276785483 386375889 /nfs/dbraw/zinc/37/58/89/386375889.db2.gz AWRRVHRYLUYBER-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@@H]1OC ZINC000276785483 386375897 /nfs/dbraw/zinc/37/58/97/386375897.db2.gz AWRRVHRYLUYBER-PHIMTYICSA-N 1 2 226.276 0.829 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](O)C2)c[nH+]1 ZINC000276816696 386376799 /nfs/dbraw/zinc/37/67/99/386376799.db2.gz CTWUGGRUBQEJAJ-BDAKNGLRSA-N 1 2 223.276 0.609 20 0 BCADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@H](C)CO ZINC000265944159 386383226 /nfs/dbraw/zinc/38/32/26/386383226.db2.gz LWKHTESRORPSOE-RKDXNWHRSA-N 1 2 240.307 0.236 20 0 BCADLO OC[C@@]1(F)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000347332295 386329358 /nfs/dbraw/zinc/32/93/58/386329358.db2.gz HJLDHHFJZZUWIX-HTQZYQBOSA-N 1 2 245.216 0.706 20 0 BCADLO OC[C@@]1(F)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000347332295 386329362 /nfs/dbraw/zinc/32/93/62/386329362.db2.gz HJLDHHFJZZUWIX-HTQZYQBOSA-N 1 2 245.216 0.706 20 0 BCADLO OC[C@@]1(F)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000347332343 386329565 /nfs/dbraw/zinc/32/95/65/386329565.db2.gz HJLDHHFJZZUWIX-JGVFFNPUSA-N 1 2 245.216 0.706 20 0 BCADLO OC[C@@]1(F)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000347332343 386329572 /nfs/dbraw/zinc/32/95/72/386329572.db2.gz HJLDHHFJZZUWIX-JGVFFNPUSA-N 1 2 245.216 0.706 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347336964 386332191 /nfs/dbraw/zinc/33/21/91/386332191.db2.gz VWPIFIBXSICZBM-IIHVQRNFSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347336964 386332193 /nfs/dbraw/zinc/33/21/93/386332193.db2.gz VWPIFIBXSICZBM-IIHVQRNFSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347336963 386332732 /nfs/dbraw/zinc/33/27/32/386332732.db2.gz VWPIFIBXSICZBM-IDYSPNNHSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347336963 386332740 /nfs/dbraw/zinc/33/27/40/386332740.db2.gz VWPIFIBXSICZBM-IDYSPNNHSA-N 1 2 249.376 0.225 20 0 BCADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CO ZINC000277499426 386440318 /nfs/dbraw/zinc/44/03/18/386440318.db2.gz JBTHLULKHMZXNT-UHFFFAOYSA-N 1 2 239.319 0.676 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCSC2)c[nH+]1 ZINC000266472281 386440209 /nfs/dbraw/zinc/44/02/09/386440209.db2.gz JKJAIULCHRUFCU-SSDOTTSWSA-N 1 2 211.290 0.953 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@](C)(O)c2ccco2)c[nH+]1 ZINC000266497848 386441839 /nfs/dbraw/zinc/44/18/39/386441839.db2.gz FASZDASQUSXVMF-LBPRGKRZSA-N 1 2 249.270 0.949 20 0 BCADLO C[NH+](C)C[C@@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC000647970926 386442285 /nfs/dbraw/zinc/44/22/85/386442285.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 1 2 223.324 0.231 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000339472480 386442331 /nfs/dbraw/zinc/44/23/31/386442331.db2.gz HXWDUDLLYIOGGN-QWRGUYRKSA-N 1 2 249.314 0.773 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CCOC1 ZINC000347535131 386444996 /nfs/dbraw/zinc/44/49/96/386444996.db2.gz RFAWUCYXNRPPPP-NSHDSACASA-N 1 2 223.276 0.426 20 0 BCADLO O=C1C[N@H+](CCn2cccn2)CCN1C1CC1 ZINC000336716670 386448499 /nfs/dbraw/zinc/44/84/99/386448499.db2.gz VZMNBDXWRYUDFI-UHFFFAOYSA-N 1 2 234.303 0.190 20 0 BCADLO O=C1C[N@@H+](CCn2cccn2)CCN1C1CC1 ZINC000336716670 386448506 /nfs/dbraw/zinc/44/85/06/386448506.db2.gz VZMNBDXWRYUDFI-UHFFFAOYSA-N 1 2 234.303 0.190 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCOC2)c[nH+]1 ZINC000266545959 386448721 /nfs/dbraw/zinc/44/87/21/386448721.db2.gz KUVBSYDUDGOMJE-IONNQARKSA-N 1 2 223.276 0.873 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCOC2)c[nH+]1 ZINC000266545956 386449104 /nfs/dbraw/zinc/44/91/04/386449104.db2.gz KUVBSYDUDGOMJE-CBAPKCEASA-N 1 2 223.276 0.873 20 0 BCADLO Cc1c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cnn1C ZINC000336694503 386390908 /nfs/dbraw/zinc/39/09/08/386390908.db2.gz LJLLNNQXIWFAHB-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cnn1C ZINC000336694503 386390910 /nfs/dbraw/zinc/39/09/10/386390910.db2.gz LJLLNNQXIWFAHB-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347352847 386391397 /nfs/dbraw/zinc/39/13/97/386391397.db2.gz OEHOWSXKCLJCGB-KCJUWKMLSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347352847 386391402 /nfs/dbraw/zinc/39/14/02/386391402.db2.gz OEHOWSXKCLJCGB-KCJUWKMLSA-N 1 2 246.282 0.098 20 0 BCADLO Cc1cc(N2CN(C)C(=O)[C@H]2C)nc(C)[nH+]1 ZINC000645398091 386397703 /nfs/dbraw/zinc/39/77/03/386397703.db2.gz XVKVZHAEZHFSRH-MRVPVSSYSA-N 1 2 220.276 0.718 20 0 BCADLO O=C1C[N@H+](CCOCC2CC2)CCN1C1CC1 ZINC000336707940 386414864 /nfs/dbraw/zinc/41/48/64/386414864.db2.gz OXEZPWGZSGLNMV-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO O=C1C[N@@H+](CCOCC2CC2)CCN1C1CC1 ZINC000336707940 386414867 /nfs/dbraw/zinc/41/48/67/386414867.db2.gz OXEZPWGZSGLNMV-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(/C=C/C1CC1)NCCn1cc[nH+]c1 ZINC000266270394 386419687 /nfs/dbraw/zinc/41/96/87/386419687.db2.gz PVRKYCNGXUTFKV-ONEGZZNKSA-N 1 2 205.261 0.966 20 0 BCADLO CCCC(=O)NCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347490905 386422950 /nfs/dbraw/zinc/42/29/50/386422950.db2.gz FFGYTPLWKNDRBV-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000191781803 386453043 /nfs/dbraw/zinc/45/30/43/386453043.db2.gz KCMYQBKRELZNDT-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO CC[C@@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347515154 386427736 /nfs/dbraw/zinc/42/77/36/386427736.db2.gz JVMLKSDMRWUFMV-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO Cn1cc[nH+]c1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000336713438 386428746 /nfs/dbraw/zinc/42/87/46/386428746.db2.gz PQRYQXTYTRXWPE-SNVBAGLBSA-N 1 2 234.303 0.227 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCC1 ZINC000134460636 386429705 /nfs/dbraw/zinc/42/97/05/386429705.db2.gz QHQGHYPKZKSXHU-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO Cc1ccc([C@@H](O)C[N@@H+]2CCNC(=O)C2)cc1 ZINC000266378443 386430411 /nfs/dbraw/zinc/43/04/11/386430411.db2.gz AMJIOHONNQUVPC-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccc([C@@H](O)C[N@H+]2CCNC(=O)C2)cc1 ZINC000266378443 386430417 /nfs/dbraw/zinc/43/04/17/386430417.db2.gz AMJIOHONNQUVPC-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1noc(CCC[N@H+]2CCN(C)C[C@H]2C)n1 ZINC000336715217 386431941 /nfs/dbraw/zinc/43/19/41/386431941.db2.gz UKZWQKAGEBMXDK-SNVBAGLBSA-N 1 2 238.335 0.947 20 0 BCADLO Cc1noc(CCC[N@@H+]2CCN(C)C[C@H]2C)n1 ZINC000336715217 386431945 /nfs/dbraw/zinc/43/19/45/386431945.db2.gz UKZWQKAGEBMXDK-SNVBAGLBSA-N 1 2 238.335 0.947 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000290436746 386435284 /nfs/dbraw/zinc/43/52/84/386435284.db2.gz SAMLKAWTOJVVDD-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000290436746 386435290 /nfs/dbraw/zinc/43/52/90/386435290.db2.gz SAMLKAWTOJVVDD-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCO1 ZINC000299568711 386466861 /nfs/dbraw/zinc/46/68/61/386466861.db2.gz BEGIELDAGDSZLQ-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO CCN(C)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000266770471 386467494 /nfs/dbraw/zinc/46/74/94/386467494.db2.gz JLUFJDBECKOXIB-VIFPVBQESA-N 1 2 246.336 0.058 20 0 BCADLO CCN(C)S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000266770470 386467962 /nfs/dbraw/zinc/46/79/62/386467962.db2.gz JLUFJDBECKOXIB-SECBINFHSA-N 1 2 246.336 0.058 20 0 BCADLO CCN(C)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000299651396 386476955 /nfs/dbraw/zinc/47/69/55/386476955.db2.gz YAWDXRHULUKZAG-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCN(C)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000299651396 386476959 /nfs/dbraw/zinc/47/69/59/386476959.db2.gz YAWDXRHULUKZAG-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCCn1cccn1 ZINC000299647868 386477432 /nfs/dbraw/zinc/47/74/32/386477432.db2.gz NXPOBQWSHNPSNW-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO Cn1nccc1C(=O)NCCNc1cccc[nH+]1 ZINC000299669789 386479358 /nfs/dbraw/zinc/47/93/58/386479358.db2.gz YBRNORWPNXRYBW-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000187172929 386480858 /nfs/dbraw/zinc/48/08/58/386480858.db2.gz VBWUGGZUJRRSAA-ZETCQYMHSA-N 1 2 249.361 0.343 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1[nH+]ccn1CC ZINC000519544943 386481629 /nfs/dbraw/zinc/48/16/29/386481629.db2.gz GMJWIQBNSVPCOF-SECBINFHSA-N 1 2 225.292 0.944 20 0 BCADLO CO[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290873858 386483623 /nfs/dbraw/zinc/48/36/23/386483623.db2.gz CWVROXXGTLGEKQ-MRVPVSSYSA-N 1 2 209.249 0.260 20 0 BCADLO O=C(C1=COCCC1)N1CCn2c[nH+]cc2C1 ZINC000290907759 386487502 /nfs/dbraw/zinc/48/75/02/386487502.db2.gz ILLCKUHAEIQHMK-UHFFFAOYSA-N 1 2 233.271 0.920 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)[C@H](C)CO ZINC000339629174 386498060 /nfs/dbraw/zinc/49/80/60/386498060.db2.gz XBDKURFOKUCHOR-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)[C@H](C)CO ZINC000339629174 386498067 /nfs/dbraw/zinc/49/80/67/386498067.db2.gz XBDKURFOKUCHOR-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO C[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccon1 ZINC000393973992 386505196 /nfs/dbraw/zinc/50/51/96/386505196.db2.gz UEZMRIVREVUACJ-YUMQZZPRSA-N 1 2 225.248 0.776 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336359104 386506691 /nfs/dbraw/zinc/50/66/91/386506691.db2.gz DIYWRZNGSZTEHM-MNOVXSKESA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336359104 386506696 /nfs/dbraw/zinc/50/66/96/386506696.db2.gz DIYWRZNGSZTEHM-MNOVXSKESA-N 1 2 226.320 0.766 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343229185 386513842 /nfs/dbraw/zinc/51/38/42/386513842.db2.gz XDGYEHKDOYMDIF-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)CC[S@](C)=O)c[nH+]1 ZINC000267232107 386515911 /nfs/dbraw/zinc/51/59/11/386515911.db2.gz PPAURSNMBSINMT-GYKQLYQFSA-N 1 2 243.332 0.605 20 0 BCADLO Cn1cc(C[N@@H+]2CCc3cncnc3C2)cn1 ZINC000339695667 386522288 /nfs/dbraw/zinc/52/22/88/386522288.db2.gz BYIRGDOSWCJFAX-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1cc(C[N@H+]2CCc3cncnc3C2)cn1 ZINC000339695667 386522295 /nfs/dbraw/zinc/52/22/95/386522295.db2.gz BYIRGDOSWCJFAX-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO COC(C)(C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000336754902 386525994 /nfs/dbraw/zinc/52/59/94/386525994.db2.gz HTLINVGPLIQQBQ-ZETCQYMHSA-N 1 2 213.285 0.113 20 0 BCADLO O=Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)[nH]1 ZINC000267330153 386526025 /nfs/dbraw/zinc/52/60/25/386526025.db2.gz HLTMOBCECZDZMJ-UHFFFAOYSA-N 1 2 247.298 0.747 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cocn2)C[C@@H]1OC ZINC000277710431 386461058 /nfs/dbraw/zinc/46/10/58/386461058.db2.gz RXFACTFNVVJKOR-AOOOYVTPSA-N 1 2 212.249 0.520 20 0 BCADLO CN(CCCCCO)C(=O)CCn1cc[nH+]c1 ZINC000227098063 386461062 /nfs/dbraw/zinc/46/10/62/386461062.db2.gz WWSGPFTWBREUIX-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cocn2)C[C@@H]1OC ZINC000277710431 386461063 /nfs/dbraw/zinc/46/10/63/386461063.db2.gz RXFACTFNVVJKOR-AOOOYVTPSA-N 1 2 212.249 0.520 20 0 BCADLO CC(C)[C@@H](NC(=O)c1ncn(C)n1)c1[nH]cc[nH+]1 ZINC000290669467 386465272 /nfs/dbraw/zinc/46/52/72/386465272.db2.gz GTXYSFBTGOHPHA-MRVPVSSYSA-N 1 2 248.290 0.665 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000426247110 386581091 /nfs/dbraw/zinc/58/10/91/386581091.db2.gz YOZGCTBVYVFMRN-VHSXEESVSA-N 1 2 241.335 0.051 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000426247110 386581097 /nfs/dbraw/zinc/58/10/97/386581097.db2.gz YOZGCTBVYVFMRN-VHSXEESVSA-N 1 2 241.335 0.051 20 0 BCADLO Cc1cn[nH]c1CNCC(F)(F)C[NH3+] ZINC000414921318 386581773 /nfs/dbraw/zinc/58/17/73/386581773.db2.gz ASCYPMPMSIXWRO-UHFFFAOYSA-N 1 2 204.224 0.402 20 0 BCADLO CCC[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267818531 386586444 /nfs/dbraw/zinc/58/64/44/386586444.db2.gz WLPIAPATNUHBHW-SECBINFHSA-N 1 2 236.275 0.641 20 0 BCADLO COC(=O)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000267838661 386590435 /nfs/dbraw/zinc/59/04/35/386590435.db2.gz MUFYCVUZLJLHTM-UHFFFAOYSA-N 1 2 237.259 0.047 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000291863809 386594578 /nfs/dbraw/zinc/59/45/78/386594578.db2.gz KFEJNHYTBZSBAI-VXNVDRBHSA-N 1 2 225.292 0.800 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000291863809 386594583 /nfs/dbraw/zinc/59/45/83/386594583.db2.gz KFEJNHYTBZSBAI-VXNVDRBHSA-N 1 2 225.292 0.800 20 0 BCADLO C[C@@H](CNC(=O)C(F)F)Cn1cc[nH+]c1 ZINC000278846728 386594745 /nfs/dbraw/zinc/59/47/45/386594745.db2.gz AOHJSRWYFPAPSY-ZETCQYMHSA-N 1 2 217.219 0.901 20 0 BCADLO C[C@@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000267356378 386531853 /nfs/dbraw/zinc/53/18/53/386531853.db2.gz KLZUHYNANMSPRC-QMMMGPOBSA-N 1 2 244.254 0.775 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C=O)[nH]1 ZINC000267371654 386534909 /nfs/dbraw/zinc/53/49/09/386534909.db2.gz QCNRDJOTVOTHFH-SECBINFHSA-N 1 2 246.270 0.842 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC(F)(F)F ZINC000278510519 386536736 /nfs/dbraw/zinc/53/67/36/386536736.db2.gz BGTGQOYSYAOSLA-UHFFFAOYSA-N 1 2 221.182 0.939 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC(F)(F)F ZINC000278510519 386536743 /nfs/dbraw/zinc/53/67/43/386536743.db2.gz BGTGQOYSYAOSLA-UHFFFAOYSA-N 1 2 221.182 0.939 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000527388988 386536803 /nfs/dbraw/zinc/53/68/03/386536803.db2.gz PHAXLMXQUAVXQD-UTUOFQBUSA-N 1 2 249.314 0.646 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CC1CC1 ZINC000339726846 386538752 /nfs/dbraw/zinc/53/87/52/386538752.db2.gz CJVOCMXDLGTPOW-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO CC(C)NS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000519709716 386539107 /nfs/dbraw/zinc/53/91/07/386539107.db2.gz MRMDJSHSTLKMLK-UHFFFAOYSA-N 1 2 232.309 0.084 20 0 BCADLO CC(C)NS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000519709716 386539113 /nfs/dbraw/zinc/53/91/13/386539113.db2.gz MRMDJSHSTLKMLK-UHFFFAOYSA-N 1 2 232.309 0.084 20 0 BCADLO C/C=C(\C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000267491756 386548021 /nfs/dbraw/zinc/54/80/21/386548021.db2.gz DFTNPZZRKJNUJB-NYYWCZLTSA-N 1 2 226.320 0.743 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000291467099 386548677 /nfs/dbraw/zinc/54/86/77/386548677.db2.gz DMHLYTXYNMQJKX-QMMMGPOBSA-N 1 2 248.286 0.951 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000291467099 386548684 /nfs/dbraw/zinc/54/86/84/386548684.db2.gz DMHLYTXYNMQJKX-QMMMGPOBSA-N 1 2 248.286 0.951 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000047577340 386553989 /nfs/dbraw/zinc/55/39/89/386553989.db2.gz PYWUEDBAIUXLBI-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000335402374 386555848 /nfs/dbraw/zinc/55/58/48/386555848.db2.gz ZSZIZVPCSFUCSC-SSDOTTSWSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000335402374 386555850 /nfs/dbraw/zinc/55/58/50/386555850.db2.gz ZSZIZVPCSFUCSC-SSDOTTSWSA-N 1 2 222.292 0.347 20 0 BCADLO CC(=O)NCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000645352003 386557230 /nfs/dbraw/zinc/55/72/30/386557230.db2.gz JLICOKKRIBFFRX-UHFFFAOYSA-N 1 2 234.303 0.926 20 0 BCADLO CC(C)n1ccnc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278640560 386557444 /nfs/dbraw/zinc/55/74/44/386557444.db2.gz GWXNRWWDUHCWTC-NXEZZACHSA-N 1 2 225.292 0.001 20 0 BCADLO CCN1C[C@H](Nc2cc[nH+]c(C)n2)CC1=O ZINC000391650474 386558328 /nfs/dbraw/zinc/55/83/28/386558328.db2.gz WQWADZUWMHHGPY-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1c[nH+]cn1C ZINC000267608371 386558738 /nfs/dbraw/zinc/55/87/38/386558738.db2.gz NKDAWGKDJSTRDU-KCWFYHRYSA-N 1 2 241.360 0.761 20 0 BCADLO O=C1OCC[C@H]2CCN(Cc3c[nH+]c[nH]3)[C@H]12 ZINC000366491372 386597600 /nfs/dbraw/zinc/59/76/00/386597600.db2.gz RZSYYUNNGBQFHX-SCZZXKLOSA-N 1 2 221.260 0.547 20 0 BCADLO O=C1OCC[C@H]2CCN(Cc3c[nH]c[nH+]3)[C@H]12 ZINC000366491372 386597603 /nfs/dbraw/zinc/59/76/03/386597603.db2.gz RZSYYUNNGBQFHX-SCZZXKLOSA-N 1 2 221.260 0.547 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335405906 386563148 /nfs/dbraw/zinc/56/31/48/386563148.db2.gz APLCVPRVPVSLMA-KOLCDFICSA-N 1 2 242.344 0.083 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335405906 386563152 /nfs/dbraw/zinc/56/31/52/386563152.db2.gz APLCVPRVPVSLMA-KOLCDFICSA-N 1 2 242.344 0.083 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCn2cncc2C1 ZINC000291670904 386566983 /nfs/dbraw/zinc/56/69/83/386566983.db2.gz WHSLYYJACIFLKC-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCn2cncc2C1 ZINC000291670904 386566989 /nfs/dbraw/zinc/56/69/89/386566989.db2.gz WHSLYYJACIFLKC-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408422739 386568649 /nfs/dbraw/zinc/56/86/49/386568649.db2.gz KJDVDGRYDULMCO-VGMNWLOBSA-N 1 2 218.272 0.309 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408422739 386568655 /nfs/dbraw/zinc/56/86/55/386568655.db2.gz KJDVDGRYDULMCO-VGMNWLOBSA-N 1 2 218.272 0.309 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CO1 ZINC000408423178 386570275 /nfs/dbraw/zinc/57/02/75/386570275.db2.gz WVBHQWVFMXBUBN-HTQZYQBOSA-N 1 2 222.244 0.573 20 0 BCADLO C[C@@H](CNC(=O)C(C)(C)CO)Cn1cc[nH+]c1 ZINC000520251948 386619810 /nfs/dbraw/zinc/61/98/10/386619810.db2.gz RGVLYJFPTVXBBB-JTQLQIEISA-N 1 2 239.319 0.654 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000328807252 386622673 /nfs/dbraw/zinc/62/26/73/386622673.db2.gz CTJQPBCVNNLVLE-VIFPVBQESA-N 1 2 225.292 0.269 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000328807252 386622678 /nfs/dbraw/zinc/62/26/78/386622678.db2.gz CTJQPBCVNNLVLE-VIFPVBQESA-N 1 2 225.292 0.269 20 0 BCADLO CC[N@H+](CCOC)Cc1nc(N(C)C)no1 ZINC000337143071 386625971 /nfs/dbraw/zinc/62/59/71/386625971.db2.gz UUKIFLHWXIGEBW-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO CC[N@@H+](CCOC)Cc1nc(N(C)C)no1 ZINC000337143071 386625975 /nfs/dbraw/zinc/62/59/75/386625975.db2.gz UUKIFLHWXIGEBW-UHFFFAOYSA-N 1 2 228.296 0.604 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)ncn1 ZINC000292165599 386627096 /nfs/dbraw/zinc/62/70/96/386627096.db2.gz LEKPBLPPVJWMFO-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)ncn1 ZINC000292165599 386627105 /nfs/dbraw/zinc/62/71/05/386627105.db2.gz LEKPBLPPVJWMFO-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO C[C@@](O)(CC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000328787356 386627560 /nfs/dbraw/zinc/62/75/60/386627560.db2.gz OXXNEPYAEYURML-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO O=C1C[N@H+](Cc2ccno2)[C@@H]2CCCC[C@H]2N1 ZINC000268282843 386636334 /nfs/dbraw/zinc/63/63/34/386636334.db2.gz PTIFXIIWSIRBQT-GHMZBOCLSA-N 1 2 235.287 0.918 20 0 BCADLO O=C1C[N@@H+](Cc2ccno2)[C@@H]2CCCC[C@H]2N1 ZINC000268282843 386636340 /nfs/dbraw/zinc/63/63/40/386636340.db2.gz PTIFXIIWSIRBQT-GHMZBOCLSA-N 1 2 235.287 0.918 20 0 BCADLO Cn1c[nH+]cc1Cn1cnc2c(c1=O)CCCC2 ZINC000328891619 386640061 /nfs/dbraw/zinc/64/00/61/386640061.db2.gz SUCSSGQYBLFITK-UHFFFAOYSA-N 1 2 244.298 0.904 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)ncn1 ZINC000292302860 386647371 /nfs/dbraw/zinc/64/73/71/386647371.db2.gz ZYSPUIJUEYICJU-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)C)ncn1 ZINC000292302860 386647378 /nfs/dbraw/zinc/64/73/78/386647378.db2.gz ZYSPUIJUEYICJU-UHFFFAOYSA-N 1 2 236.319 0.741 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000337198109 386648616 /nfs/dbraw/zinc/64/86/16/386648616.db2.gz ZILQWDYZDAFJPF-LLVKDONJSA-N 1 2 236.319 0.784 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000337198109 386648620 /nfs/dbraw/zinc/64/86/20/386648620.db2.gz ZILQWDYZDAFJPF-LLVKDONJSA-N 1 2 236.319 0.784 20 0 BCADLO Cn1cc([C@@H]2CC[N@H+](Cc3n[nH]c(=O)[nH]3)C2)cn1 ZINC000329326681 386650075 /nfs/dbraw/zinc/65/00/75/386650075.db2.gz UEGDYMYYLNNIEH-MRVPVSSYSA-N 1 2 248.290 0.233 20 0 BCADLO Cn1cc([C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)cn1 ZINC000329326681 386650077 /nfs/dbraw/zinc/65/00/77/386650077.db2.gz UEGDYMYYLNNIEH-MRVPVSSYSA-N 1 2 248.290 0.233 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000337202739 386651176 /nfs/dbraw/zinc/65/11/76/386651176.db2.gz HEAFARXJTUEMEZ-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000337202739 386651180 /nfs/dbraw/zinc/65/11/80/386651180.db2.gz HEAFARXJTUEMEZ-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO Cc1nc(N2CC(=O)N(CC3CC3)C2)cc[nH+]1 ZINC000279229268 386653690 /nfs/dbraw/zinc/65/36/90/386653690.db2.gz ZWRLTKFIOSQWEY-UHFFFAOYSA-N 1 2 232.287 0.801 20 0 BCADLO COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)[nH]1 ZINC000414803756 386601042 /nfs/dbraw/zinc/60/10/42/386601042.db2.gz NZGFAVKMZRAGNS-LLVKDONJSA-N 1 2 237.303 0.628 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550359 386603741 /nfs/dbraw/zinc/60/37/41/386603741.db2.gz PCHZOGMTBRIDQA-SFYZADRCSA-N 1 2 224.264 0.156 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550359 386603745 /nfs/dbraw/zinc/60/37/45/386603745.db2.gz PCHZOGMTBRIDQA-SFYZADRCSA-N 1 2 224.264 0.156 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CSC ZINC000336645268 386604206 /nfs/dbraw/zinc/60/42/06/386604206.db2.gz BJJHKIUQJQWZRY-SSDOTTSWSA-N 1 2 221.322 0.252 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425549794 386604690 /nfs/dbraw/zinc/60/46/90/386604690.db2.gz ODYZLKNDBNIDPU-IUCAKERBSA-N 1 2 238.291 0.546 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425549794 386604692 /nfs/dbraw/zinc/60/46/92/386604692.db2.gz ODYZLKNDBNIDPU-IUCAKERBSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291959808 386605220 /nfs/dbraw/zinc/60/52/20/386605220.db2.gz UYYXZPXAAXVJRU-AWEZNQCLSA-N 1 2 249.310 0.795 20 0 BCADLO COC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291959808 386605227 /nfs/dbraw/zinc/60/52/27/386605227.db2.gz UYYXZPXAAXVJRU-AWEZNQCLSA-N 1 2 249.310 0.795 20 0 BCADLO Cn1ccnc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335491104 386609063 /nfs/dbraw/zinc/60/90/63/386609063.db2.gz JGGAHKAKUJMCDI-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000328686450 386609923 /nfs/dbraw/zinc/60/99/23/386609923.db2.gz YGIHLZDFFPUILM-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000328686450 386609929 /nfs/dbraw/zinc/60/99/29/386609929.db2.gz YGIHLZDFFPUILM-JTQLQIEISA-N 1 2 225.296 0.211 20 0 BCADLO Cc1ccc(NC(=O)CCNC(N)=O)c(C)[nH+]1 ZINC000268016156 386610456 /nfs/dbraw/zinc/61/04/56/386610456.db2.gz RLYWGPRZXFUWCA-UHFFFAOYSA-N 1 2 236.275 0.695 20 0 BCADLO C[C@H](O)CC[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000644921310 386612531 /nfs/dbraw/zinc/61/25/31/386612531.db2.gz CYHRSTORSDMTQU-YNEHKIRRSA-N 1 2 242.363 0.288 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328712576 386613787 /nfs/dbraw/zinc/61/37/87/386613787.db2.gz CJXDVYBSNRSIFH-PHIMTYICSA-N 1 2 223.276 0.318 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328712576 386613793 /nfs/dbraw/zinc/61/37/93/386613793.db2.gz CJXDVYBSNRSIFH-PHIMTYICSA-N 1 2 223.276 0.318 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC1 ZINC000335494118 386614762 /nfs/dbraw/zinc/61/47/62/386614762.db2.gz HSXJNJPDRYTUKH-AOOOYVTPSA-N 1 2 210.277 0.082 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC1 ZINC000335494118 386614767 /nfs/dbraw/zinc/61/47/67/386614767.db2.gz HSXJNJPDRYTUKH-AOOOYVTPSA-N 1 2 210.277 0.082 20 0 BCADLO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000337125239 386615438 /nfs/dbraw/zinc/61/54/38/386615438.db2.gz DVYPGCASHQBELO-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1nccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000337125239 386615443 /nfs/dbraw/zinc/61/54/43/386615443.db2.gz DVYPGCASHQBELO-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1nccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000337125240 386615727 /nfs/dbraw/zinc/61/57/27/386615727.db2.gz DVYPGCASHQBELO-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1nccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000337125240 386615731 /nfs/dbraw/zinc/61/57/31/386615731.db2.gz DVYPGCASHQBELO-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO O=C(N[C@@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000179203820 386617858 /nfs/dbraw/zinc/61/78/58/386617858.db2.gz IPHDEAMFSDUBCK-SNVBAGLBSA-N 1 2 231.255 0.853 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H]1O ZINC000265594256 386660016 /nfs/dbraw/zinc/66/00/16/386660016.db2.gz QGZXVVMEZUPWFC-IUCAKERBSA-N 1 2 233.275 0.689 20 0 BCADLO CC(C)n1cncc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000425327905 386663267 /nfs/dbraw/zinc/66/32/67/386663267.db2.gz SJXKZGDGUWNNST-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1cncc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000425327905 386663270 /nfs/dbraw/zinc/66/32/70/386663270.db2.gz SJXKZGDGUWNNST-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000335522491 386664154 /nfs/dbraw/zinc/66/41/54/386664154.db2.gz VUYRAYDVPOKMKN-VIFPVBQESA-N 1 2 214.309 0.574 20 0 BCADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000335522491 386664160 /nfs/dbraw/zinc/66/41/60/386664160.db2.gz VUYRAYDVPOKMKN-VIFPVBQESA-N 1 2 214.309 0.574 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000329398583 386664329 /nfs/dbraw/zinc/66/43/29/386664329.db2.gz XCIQXCOHIMSRLM-NSHDSACASA-N 1 2 249.314 0.980 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)NC(C)C)CC(=O)OC ZINC000337224078 386664554 /nfs/dbraw/zinc/66/45/54/386664554.db2.gz DLBBQGRFRCCZMX-SNVBAGLBSA-N 1 2 244.335 0.785 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)NC(C)C)CC(=O)OC ZINC000337224078 386664562 /nfs/dbraw/zinc/66/45/62/386664562.db2.gz DLBBQGRFRCCZMX-SNVBAGLBSA-N 1 2 244.335 0.785 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CO1 ZINC000335526838 386671150 /nfs/dbraw/zinc/67/11/50/386671150.db2.gz BFWVKYPGDJZABG-RKDXNWHRSA-N 1 2 237.303 0.981 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000336647977 386672594 /nfs/dbraw/zinc/67/25/94/386672594.db2.gz GAXZPOSWCCMITF-BDAKNGLRSA-N 1 2 203.282 0.951 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000335527472 386674045 /nfs/dbraw/zinc/67/40/45/386674045.db2.gz CWLDSDNLJKCNMR-POYBYMJQSA-N 1 2 209.249 0.625 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H](OCCO)C2)n1 ZINC000330364709 386678415 /nfs/dbraw/zinc/67/84/15/386678415.db2.gz VEHPQOWHSGEDEE-JTQLQIEISA-N 1 2 241.291 0.351 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H](OCCO)C2)n1 ZINC000330364709 386678423 /nfs/dbraw/zinc/67/84/23/386678423.db2.gz VEHPQOWHSGEDEE-JTQLQIEISA-N 1 2 241.291 0.351 20 0 BCADLO CC(=O)CCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330376883 386681614 /nfs/dbraw/zinc/68/16/14/386681614.db2.gz IGBRINVFWXWIIE-SNVBAGLBSA-N 1 2 242.319 0.193 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC1CCOCC1)C2 ZINC000329586514 386709783 /nfs/dbraw/zinc/70/97/83/386709783.db2.gz RPVRBGZYSOXFCT-UHFFFAOYSA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC1CCOCC1)C2 ZINC000329586514 386709793 /nfs/dbraw/zinc/70/97/93/386709793.db2.gz RPVRBGZYSOXFCT-UHFFFAOYSA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@H+](CC3CCOCC3)CCN12 ZINC000329586514 386709797 /nfs/dbraw/zinc/70/97/97/386709797.db2.gz RPVRBGZYSOXFCT-UHFFFAOYSA-N 1 2 238.291 0.226 20 0 BCADLO COC(=O)[C@@H](CC1CC1)NCc1[nH+]ccn1C ZINC000414488315 386709724 /nfs/dbraw/zinc/70/97/24/386709724.db2.gz LURQOVAOZWJYLI-SNVBAGLBSA-N 1 2 237.303 0.851 20 0 BCADLO O=C1N=NC2C[N@@H+](CC3CCOCC3)CCN12 ZINC000329586514 386709804 /nfs/dbraw/zinc/70/98/04/386709804.db2.gz RPVRBGZYSOXFCT-UHFFFAOYSA-N 1 2 238.291 0.226 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1CO)NCC(F)(F)F ZINC000050114589 386684311 /nfs/dbraw/zinc/68/43/11/386684311.db2.gz MFQWPMAIULHQDO-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1CO)NCC(F)(F)F ZINC000050114589 386684315 /nfs/dbraw/zinc/68/43/15/386684315.db2.gz MFQWPMAIULHQDO-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCCS(C)(=O)=O ZINC000357005589 386685203 /nfs/dbraw/zinc/68/52/03/386685203.db2.gz RGLDGEFMTUXRCV-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCCS(C)(=O)=O ZINC000357005589 386685209 /nfs/dbraw/zinc/68/52/09/386685209.db2.gz RGLDGEFMTUXRCV-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CC[C@H]([NH2+]CCNC(=O)C(C)(C)C)C(=O)OC ZINC000192853917 386686850 /nfs/dbraw/zinc/68/68/50/386686850.db2.gz YTMFUVXYGAGEJB-VIFPVBQESA-N 1 2 244.335 0.690 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292552322 386688736 /nfs/dbraw/zinc/68/87/36/386688736.db2.gz YQEJODCMRHCNLX-QMMMGPOBSA-N 1 2 236.323 0.504 20 0 BCADLO CC[C@H]1CC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292552322 386688745 /nfs/dbraw/zinc/68/87/45/386688745.db2.gz YQEJODCMRHCNLX-QMMMGPOBSA-N 1 2 236.323 0.504 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cnc[nH]1 ZINC000337259995 386691012 /nfs/dbraw/zinc/69/10/12/386691012.db2.gz WRVPRHSJTRPOPE-VHSXEESVSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1cnc[nH]1 ZINC000337259995 386691021 /nfs/dbraw/zinc/69/10/21/386691021.db2.gz WRVPRHSJTRPOPE-VHSXEESVSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1c[nH]cn1 ZINC000337259995 386691029 /nfs/dbraw/zinc/69/10/29/386691029.db2.gz WRVPRHSJTRPOPE-VHSXEESVSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1c[nH]cn1 ZINC000337259995 386691034 /nfs/dbraw/zinc/69/10/34/386691034.db2.gz WRVPRHSJTRPOPE-VHSXEESVSA-N 1 2 220.276 0.120 20 0 BCADLO COC[C@@H](C)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414483234 386696003 /nfs/dbraw/zinc/69/60/03/386696003.db2.gz FCJAEWDGWDGVFM-PSASIEDQSA-N 1 2 215.293 0.953 20 0 BCADLO C[N@H+](CCc1cnccn1)Cc1ncc[nH]1 ZINC000357028366 386697315 /nfs/dbraw/zinc/69/73/15/386697315.db2.gz USVSTWSTFHZABF-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1cnccn1)Cc1ncc[nH]1 ZINC000357028366 386697327 /nfs/dbraw/zinc/69/73/27/386697327.db2.gz USVSTWSTFHZABF-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CCC(=O)NC ZINC000279555433 386699994 /nfs/dbraw/zinc/69/99/94/386699994.db2.gz SXHLDSWFXXLBTE-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CCC(=O)NC ZINC000279555433 386699999 /nfs/dbraw/zinc/69/99/99/386699999.db2.gz SXHLDSWFXXLBTE-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CO[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000526942174 386701069 /nfs/dbraw/zinc/70/10/69/386701069.db2.gz IBMXULPQCPNXFL-QMMMGPOBSA-N 1 2 211.265 0.114 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000520603786 386704594 /nfs/dbraw/zinc/70/45/94/386704594.db2.gz AUWODJMYYHAOJR-PSASIEDQSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000520603786 386704599 /nfs/dbraw/zinc/70/45/99/386704599.db2.gz AUWODJMYYHAOJR-PSASIEDQSA-N 1 2 241.291 0.786 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000330410675 386705854 /nfs/dbraw/zinc/70/58/54/386705854.db2.gz UIEXQAQERYMKJP-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC000647960805 386730653 /nfs/dbraw/zinc/73/06/53/386730653.db2.gz KTYDNMJAUNTGPB-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC000647960805 386730659 /nfs/dbraw/zinc/73/06/59/386730659.db2.gz KTYDNMJAUNTGPB-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cnccc1C[N@H+]1CCn2cnnc2C1 ZINC000528378553 386740518 /nfs/dbraw/zinc/74/05/18/386740518.db2.gz XUQBBOXUQKVWBG-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000527022087 386733103 /nfs/dbraw/zinc/73/31/03/386733103.db2.gz ALIJCBIOLWTJOI-WDEREUQCSA-N 1 2 237.303 0.646 20 0 BCADLO FC(F)CN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000647961328 386737113 /nfs/dbraw/zinc/73/71/13/386737113.db2.gz BADRPZZJQIUHQD-UHFFFAOYSA-N 1 2 245.277 0.230 20 0 BCADLO FC(F)CN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647961328 386737118 /nfs/dbraw/zinc/73/71/18/386737118.db2.gz BADRPZZJQIUHQD-UHFFFAOYSA-N 1 2 245.277 0.230 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000408441259 386737442 /nfs/dbraw/zinc/73/74/42/386737442.db2.gz GXSZUZPKWQHWIP-XHNCKOQMSA-N 1 2 212.249 0.081 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000408441259 386737448 /nfs/dbraw/zinc/73/74/48/386737448.db2.gz GXSZUZPKWQHWIP-XHNCKOQMSA-N 1 2 212.249 0.081 20 0 BCADLO C[NH+](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269013402 386737665 /nfs/dbraw/zinc/73/76/65/386737665.db2.gz HTDRKPPCUAUCJU-SECBINFHSA-N 1 2 222.292 0.465 20 0 BCADLO O=C(NCc1cc[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000518830715 386737983 /nfs/dbraw/zinc/73/79/83/386737983.db2.gz DJDOMCNNZAIGKA-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCn2cnnc2C1 ZINC000528378553 386740512 /nfs/dbraw/zinc/74/05/12/386740512.db2.gz XUQBBOXUQKVWBG-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1c(C[N@@H+](C)CC(=O)N(C)C)cnn1C ZINC000268960695 386729106 /nfs/dbraw/zinc/72/91/06/386729106.db2.gz XMPSRDBSQLHGEK-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO Cc1c(C[N@H+](C)CC(=O)N(C)C)cnn1C ZINC000268960695 386729110 /nfs/dbraw/zinc/72/91/10/386729110.db2.gz XMPSRDBSQLHGEK-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330479562 386729981 /nfs/dbraw/zinc/72/99/81/386729981.db2.gz QCLZJNYGTJKFKK-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330479562 386729985 /nfs/dbraw/zinc/72/99/85/386729985.db2.gz QCLZJNYGTJKFKK-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000357232152 386745383 /nfs/dbraw/zinc/74/53/83/386745383.db2.gz UHPYLLOOTMWKOD-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329636338 386745599 /nfs/dbraw/zinc/74/55/99/386745599.db2.gz YEDZVJSFCXEKPO-NKWVEPMBSA-N 1 2 234.259 0.412 20 0 BCADLO C[C@@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329636338 386745606 /nfs/dbraw/zinc/74/56/06/386745606.db2.gz YEDZVJSFCXEKPO-NKWVEPMBSA-N 1 2 234.259 0.412 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1C ZINC000329637002 386746293 /nfs/dbraw/zinc/74/62/93/386746293.db2.gz VJTDVZLLPFZOCZ-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)n1C ZINC000329637002 386746301 /nfs/dbraw/zinc/74/63/01/386746301.db2.gz VJTDVZLLPFZOCZ-NSHDSACASA-N 1 2 246.318 0.767 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516956 386749205 /nfs/dbraw/zinc/74/92/05/386749205.db2.gz GCEBGDJNHZIXOY-IUCAKERBSA-N 1 2 243.307 0.089 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516956 386749208 /nfs/dbraw/zinc/74/92/08/386749208.db2.gz GCEBGDJNHZIXOY-IUCAKERBSA-N 1 2 243.307 0.089 20 0 BCADLO Cc1nnc(C[N@H+](CCO)C2CC2)n1C1CC1 ZINC000303257906 386754615 /nfs/dbraw/zinc/75/46/15/386754615.db2.gz JYBKSCQBVANXKE-UHFFFAOYSA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)C2CC2)n1C1CC1 ZINC000303257906 386754622 /nfs/dbraw/zinc/75/46/22/386754622.db2.gz JYBKSCQBVANXKE-UHFFFAOYSA-N 1 2 236.319 0.878 20 0 BCADLO COC[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000279920066 386755733 /nfs/dbraw/zinc/75/57/33/386755733.db2.gz HFYCMTJDFCLZMQ-SNVBAGLBSA-N 1 2 249.270 0.071 20 0 BCADLO CS[C@H](CO)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000269156253 386757102 /nfs/dbraw/zinc/75/71/02/386757102.db2.gz NAXHAGALWXDEBJ-HZGVNTEJSA-N 1 2 243.332 0.560 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCCC1 ZINC000357303911 386757738 /nfs/dbraw/zinc/75/77/38/386757738.db2.gz LNCZEZYNSLEQDJ-UHFFFAOYSA-N 1 2 207.277 0.975 20 0 BCADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CCO)CC1 ZINC000527048971 386761600 /nfs/dbraw/zinc/76/16/00/386761600.db2.gz YWKGPAUKCOKVGM-VIFPVBQESA-N 1 2 239.323 0.366 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1ccon1 ZINC000269256308 386767214 /nfs/dbraw/zinc/76/72/14/386767214.db2.gz BRKXQHBZZDJXCO-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1ccon1 ZINC000269256308 386767221 /nfs/dbraw/zinc/76/72/21/386767221.db2.gz BRKXQHBZZDJXCO-UHFFFAOYSA-N 1 2 225.292 0.975 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1cscn1 ZINC000348925658 386768552 /nfs/dbraw/zinc/76/85/52/386768552.db2.gz DFXJBFSLBVNPGN-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1cscn1 ZINC000348925658 386768557 /nfs/dbraw/zinc/76/85/57/386768557.db2.gz DFXJBFSLBVNPGN-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO CC[N@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000330447472 386741264 /nfs/dbraw/zinc/74/12/64/386741264.db2.gz VZXBQUJSDLUTHP-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CC[N@@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000330447472 386741274 /nfs/dbraw/zinc/74/12/74/386741274.db2.gz VZXBQUJSDLUTHP-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330568195 386790112 /nfs/dbraw/zinc/79/01/12/386790112.db2.gz LPTJJWDULLWLJK-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H](CNc1ncc(F)cn1)[NH+]1CCOCC1 ZINC000269458807 386796128 /nfs/dbraw/zinc/79/61/28/386796128.db2.gz GKBQVOVSYSOBJW-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CCC[C@@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269322191 386779847 /nfs/dbraw/zinc/77/98/47/386779847.db2.gz SVKGSQZDZOPZBI-ZYHUDNBSSA-N 1 2 239.319 0.939 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C1CC1)C(=O)OC ZINC000336667091 386780683 /nfs/dbraw/zinc/78/06/83/386780683.db2.gz VYFJVYCWPFYKKV-APPZFPTMSA-N 1 2 201.266 0.563 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)n(C)n1 ZINC000330539782 386781192 /nfs/dbraw/zinc/78/11/92/386781192.db2.gz RKVVSODLTZLXPK-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCCO1 ZINC000269356991 386782701 /nfs/dbraw/zinc/78/27/01/386782701.db2.gz QMPWVKSZUVIMAR-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO CC[C@H](OC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330544809 386784354 /nfs/dbraw/zinc/78/43/54/386784354.db2.gz JUMNQIZNSAVPKB-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344873101 386785746 /nfs/dbraw/zinc/78/57/46/386785746.db2.gz JKDFOFJWEIADIZ-KOLCDFICSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344873101 386785751 /nfs/dbraw/zinc/78/57/51/386785751.db2.gz JKDFOFJWEIADIZ-KOLCDFICSA-N 1 2 225.267 0.690 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCO1 ZINC000334756499 386816843 /nfs/dbraw/zinc/81/68/43/386816843.db2.gz YOLAHAULJJLRRR-SNVBAGLBSA-N 1 2 235.287 1.000 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000249205994 386824737 /nfs/dbraw/zinc/82/47/37/386824737.db2.gz RVPNPFPOUGQDIE-KOLCDFICSA-N 1 2 225.292 0.645 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000330620138 386820908 /nfs/dbraw/zinc/82/09/08/386820908.db2.gz ZZVTWAWPAMODKT-UHFFFAOYSA-N 1 2 227.268 0.493 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000330620138 386820914 /nfs/dbraw/zinc/82/09/14/386820914.db2.gz ZZVTWAWPAMODKT-UHFFFAOYSA-N 1 2 227.268 0.493 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330589838 386802696 /nfs/dbraw/zinc/80/26/96/386802696.db2.gz ZUANAYZEZZAIPD-ONGXEEELSA-N 1 2 249.314 0.929 20 0 BCADLO COC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330643477 386807443 /nfs/dbraw/zinc/80/74/43/386807443.db2.gz GSJPSAVZLIRIKZ-SSDOTTSWSA-N 1 2 232.305 0.502 20 0 BCADLO COC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330643477 386807453 /nfs/dbraw/zinc/80/74/53/386807453.db2.gz GSJPSAVZLIRIKZ-SSDOTTSWSA-N 1 2 232.305 0.502 20 0 BCADLO CC(C)c1nc(N(CCO)C[C@H](C)O)cc[nH+]1 ZINC000357589469 386809386 /nfs/dbraw/zinc/80/93/86/386809386.db2.gz BMIUCMLVPDVGJZ-JTQLQIEISA-N 1 2 239.319 0.780 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(O)CCCC1 ZINC000330645511 386811825 /nfs/dbraw/zinc/81/18/25/386811825.db2.gz GIAFTUUVSNWAOP-JTQLQIEISA-N 1 2 237.303 0.693 20 0 BCADLO CC(C)(C(=O)NCCCO)c1c[nH]c[nH+]1 ZINC000330653739 386812867 /nfs/dbraw/zinc/81/28/67/386812867.db2.gz RXXDIHWOGGVHPH-UHFFFAOYSA-N 1 2 211.265 0.186 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330654129 386814900 /nfs/dbraw/zinc/81/49/00/386814900.db2.gz ONELJPFLNMACNQ-RKDXNWHRSA-N 1 2 248.348 0.336 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330654129 386814906 /nfs/dbraw/zinc/81/49/06/386814906.db2.gz ONELJPFLNMACNQ-RKDXNWHRSA-N 1 2 248.348 0.336 20 0 BCADLO O=C1CN(c2[nH]c3ccccc3[nH+]2)CCN1 ZINC000301089856 386815384 /nfs/dbraw/zinc/81/53/84/386815384.db2.gz ZNYUSBLPQQTEDF-UHFFFAOYSA-N 1 2 216.244 0.499 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334778795 386832800 /nfs/dbraw/zinc/83/28/00/386832800.db2.gz ISLIQPYKVYOXNI-QMMMGPOBSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334778795 386832802 /nfs/dbraw/zinc/83/28/02/386832802.db2.gz ISLIQPYKVYOXNI-QMMMGPOBSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000334778795 386832806 /nfs/dbraw/zinc/83/28/06/386832806.db2.gz ISLIQPYKVYOXNI-QMMMGPOBSA-N 1 2 210.281 0.845 20 0 BCADLO CC[C@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000334778795 386832808 /nfs/dbraw/zinc/83/28/08/386832808.db2.gz ISLIQPYKVYOXNI-QMMMGPOBSA-N 1 2 210.281 0.845 20 0 BCADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1 ZINC000051666442 386837757 /nfs/dbraw/zinc/83/77/57/386837757.db2.gz SZJCHGBJTNCWPD-UHFFFAOYSA-N 1 2 233.271 0.057 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000334781610 386838005 /nfs/dbraw/zinc/83/80/05/386838005.db2.gz DWDMKDRTYXNSHC-ZJUUUORDSA-N 1 2 235.287 0.799 20 0 BCADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330230900 386838955 /nfs/dbraw/zinc/83/89/55/386838955.db2.gz WRRYSTGEMFHCGF-QMMMGPOBSA-N 1 2 241.316 0.280 20 0 BCADLO Cc1cnc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000330241009 386840769 /nfs/dbraw/zinc/84/07/69/386840769.db2.gz FNTHMFMBGLPATO-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cnc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000330241009 386840776 /nfs/dbraw/zinc/84/07/76/386840776.db2.gz FNTHMFMBGLPATO-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000328674275 386841525 /nfs/dbraw/zinc/84/15/25/386841525.db2.gz PWPUGEWSKIDQFZ-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000328674275 386841526 /nfs/dbraw/zinc/84/15/26/386841526.db2.gz PWPUGEWSKIDQFZ-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000334784377 386842763 /nfs/dbraw/zinc/84/27/63/386842763.db2.gz KLEKOSWLIILUTI-WCBMZHEXSA-N 1 2 212.293 0.232 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000334784377 386842768 /nfs/dbraw/zinc/84/27/68/386842768.db2.gz KLEKOSWLIILUTI-WCBMZHEXSA-N 1 2 212.293 0.232 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCO[C@@H](CO)C2)CC1 ZINC000331363838 386846682 /nfs/dbraw/zinc/84/66/82/386846682.db2.gz ARZHZFWGVUWDOV-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCO[C@@H](CO)C2)CC1 ZINC000331363838 386846684 /nfs/dbraw/zinc/84/66/84/386846684.db2.gz ARZHZFWGVUWDOV-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO CCO[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000330672319 386854039 /nfs/dbraw/zinc/85/40/39/386854039.db2.gz GICCVVCKXGAAPH-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000341157934 386848215 /nfs/dbraw/zinc/84/82/15/386848215.db2.gz JLSZRVXZIIUEAH-SSDOTTSWSA-N 1 2 242.241 0.320 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000341157934 386848218 /nfs/dbraw/zinc/84/82/18/386848218.db2.gz JLSZRVXZIIUEAH-SSDOTTSWSA-N 1 2 242.241 0.320 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331393663 386849375 /nfs/dbraw/zinc/84/93/75/386849375.db2.gz MHSWQPWMMJBZMO-JTQLQIEISA-N 1 2 241.287 0.229 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331393663 386849377 /nfs/dbraw/zinc/84/93/77/386849377.db2.gz MHSWQPWMMJBZMO-JTQLQIEISA-N 1 2 241.287 0.229 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000331435502 386852803 /nfs/dbraw/zinc/85/28/03/386852803.db2.gz URQRPLIHMLVHLX-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000331435502 386852810 /nfs/dbraw/zinc/85/28/10/386852810.db2.gz URQRPLIHMLVHLX-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330674448 386854722 /nfs/dbraw/zinc/85/47/22/386854722.db2.gz QNPJHYYNCMFERA-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO NC(=O)CN1CC[N@@H+]([C@H]2C=CCCC2)CC1=O ZINC000334791030 386855976 /nfs/dbraw/zinc/85/59/76/386855976.db2.gz DPZSZUDGJPOFEY-JTQLQIEISA-N 1 2 237.303 0.775 20 0 BCADLO NC(=O)CN1CC[N@H+]([C@H]2C=CCCC2)CC1=O ZINC000334791030 386855980 /nfs/dbraw/zinc/85/59/80/386855980.db2.gz DPZSZUDGJPOFEY-JTQLQIEISA-N 1 2 237.303 0.775 20 0 BCADLO COc1ncncc1C[N@H+](C)CCn1cccn1 ZINC000648008352 386856013 /nfs/dbraw/zinc/85/60/13/386856013.db2.gz DJMXMQYMNVJYCJ-UHFFFAOYSA-N 1 2 247.302 0.814 20 0 BCADLO COc1ncncc1C[N@@H+](C)CCn1cccn1 ZINC000648008352 386856020 /nfs/dbraw/zinc/85/60/20/386856020.db2.gz DJMXMQYMNVJYCJ-UHFFFAOYSA-N 1 2 247.302 0.814 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCn2nccc21 ZINC000331450704 386856439 /nfs/dbraw/zinc/85/64/39/386856439.db2.gz CNSRHUOSVANHIH-UHFFFAOYSA-N 1 2 245.286 0.907 20 0 BCADLO CN(CC1CC1)C(=O)NCc1[nH+]ccn1C ZINC000331466172 386858749 /nfs/dbraw/zinc/85/87/49/386858749.db2.gz LKRKMLNMNXBROR-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO COC[C@@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000357903749 386862194 /nfs/dbraw/zinc/86/21/94/386862194.db2.gz MQIZLZBKBUJDGJ-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCOC1 ZINC000331503201 386862487 /nfs/dbraw/zinc/86/24/87/386862487.db2.gz IBJISVAEJFPTCT-QWRGUYRKSA-N 1 2 249.314 0.913 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330716846 386865442 /nfs/dbraw/zinc/86/54/42/386865442.db2.gz CYPSTJFNIBFLHW-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C1(CO)CC1 ZINC000331541176 386868176 /nfs/dbraw/zinc/86/81/76/386868176.db2.gz UJJWOMBTVAQHGT-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C1(CO)CC1 ZINC000331541176 386868178 /nfs/dbraw/zinc/86/81/78/386868178.db2.gz UJJWOMBTVAQHGT-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CC(C)[N@@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331566419 386869758 /nfs/dbraw/zinc/86/97/58/386869758.db2.gz DFLQUXKDYMUZRK-UHFFFAOYSA-N 1 2 239.323 0.426 20 0 BCADLO CC(C)[N@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331566419 386869762 /nfs/dbraw/zinc/86/97/62/386869762.db2.gz DFLQUXKDYMUZRK-UHFFFAOYSA-N 1 2 239.323 0.426 20 0 BCADLO C[N@H+](Cc1nnnn1C(C)(C)C)C1(CO)CC1 ZINC000331552470 386869881 /nfs/dbraw/zinc/86/98/81/386869881.db2.gz VYVKZVLDKLUTNY-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO C[N@@H+](Cc1nnnn1C(C)(C)C)C1(CO)CC1 ZINC000331552470 386869885 /nfs/dbraw/zinc/86/98/85/386869885.db2.gz VYVKZVLDKLUTNY-UHFFFAOYSA-N 1 2 239.323 0.385 20 0 BCADLO CCN(C[C@H](C)O)c1nc(C)[nH+]c(N(C)C)n1 ZINC000343250829 386874494 /nfs/dbraw/zinc/87/44/94/386874494.db2.gz NOUOYWLNFDJTTH-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO CCN(C[C@H](C)O)c1nc(N(C)C)nc(C)[nH+]1 ZINC000343250829 386874497 /nfs/dbraw/zinc/87/44/97/386874497.db2.gz NOUOYWLNFDJTTH-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1csnn1 ZINC000188502236 386875182 /nfs/dbraw/zinc/87/51/82/386875182.db2.gz CAIDUWNIFURPBM-ZETCQYMHSA-N 1 2 228.321 0.495 20 0 BCADLO COC[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301773803 386877642 /nfs/dbraw/zinc/87/76/42/386877642.db2.gz KJYYXSKWACOKBS-QMMMGPOBSA-N 1 2 248.286 0.631 20 0 BCADLO Nc1c(N[C@H]2CCOC2)[nH+]cnc1-n1cccn1 ZINC000301777194 386878018 /nfs/dbraw/zinc/87/80/18/386878018.db2.gz PFQQFPOLNIKJST-QMMMGPOBSA-N 1 2 246.274 0.445 20 0 BCADLO Cc1occc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000334837030 386878109 /nfs/dbraw/zinc/87/81/09/386878109.db2.gz QUOACQNCZIPCEA-NSHDSACASA-N 1 2 235.287 0.797 20 0 BCADLO Cc1occc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000334837030 386878111 /nfs/dbraw/zinc/87/81/11/386878111.db2.gz QUOACQNCZIPCEA-NSHDSACASA-N 1 2 235.287 0.797 20 0 BCADLO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NCC1CCC1 ZINC000331644334 386880139 /nfs/dbraw/zinc/88/01/39/386880139.db2.gz VLSHUELSDSSPDZ-QWRGUYRKSA-N 1 2 244.310 0.307 20 0 BCADLO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NCC1CCC1 ZINC000331644334 386880145 /nfs/dbraw/zinc/88/01/45/386880145.db2.gz VLSHUELSDSSPDZ-QWRGUYRKSA-N 1 2 244.310 0.307 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000330761662 386880239 /nfs/dbraw/zinc/88/02/39/386880239.db2.gz NJAMDWDXARSVHJ-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000330761662 386880244 /nfs/dbraw/zinc/88/02/44/386880244.db2.gz NJAMDWDXARSVHJ-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](O)C[C@@H]2C)cc[nH+]1 ZINC000335755510 386883011 /nfs/dbraw/zinc/88/30/11/386883011.db2.gz XVRGVCONNYDZKO-GXSJLCMTSA-N 1 2 235.287 0.799 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1(F)F ZINC000331704194 386884113 /nfs/dbraw/zinc/88/41/13/386884113.db2.gz XPZWETLGJZZLOU-SVRRBLITSA-N 1 2 229.230 0.970 20 0 BCADLO CO[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000330777910 386884258 /nfs/dbraw/zinc/88/42/58/386884258.db2.gz KTWBLELXKIUEDV-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000367868425 386915873 /nfs/dbraw/zinc/91/58/73/386915873.db2.gz UHFAXZZKQHMMOV-LBPRGKRZSA-N 1 2 246.326 0.699 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000367868425 386915879 /nfs/dbraw/zinc/91/58/79/386915879.db2.gz UHFAXZZKQHMMOV-LBPRGKRZSA-N 1 2 246.326 0.699 20 0 BCADLO Cc1cncc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000358242731 386920082 /nfs/dbraw/zinc/92/00/82/386920082.db2.gz BXODUJOIPSYCEL-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cncc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000358242731 386920084 /nfs/dbraw/zinc/92/00/84/386920084.db2.gz BXODUJOIPSYCEL-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1c[nH+]c([C@@H]2NC(=O)[C@H]3C[C@@H](C)CCN32)n1C ZINC000341382045 386897814 /nfs/dbraw/zinc/89/78/14/386897814.db2.gz CXWWDIGSBFLJHO-MKPLZMMCSA-N 1 2 248.330 0.957 20 0 BCADLO O=C(CC1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000330828035 386899252 /nfs/dbraw/zinc/89/92/52/386899252.db2.gz IAZXSYZPZRKBHV-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)NCCF)n1C ZINC000341394530 386902237 /nfs/dbraw/zinc/90/22/37/386902237.db2.gz XYONYKYRZLVAEQ-VIFPVBQESA-N 1 2 242.298 0.292 20 0 BCADLO Cc1c[nH+]c(CN[C@@H](C)C(=O)NCCF)n1C ZINC000341394530 386902242 /nfs/dbraw/zinc/90/22/42/386902242.db2.gz XYONYKYRZLVAEQ-VIFPVBQESA-N 1 2 242.298 0.292 20 0 BCADLO O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCn2c[nH+]cc2C1 ZINC000358161297 386902571 /nfs/dbraw/zinc/90/25/71/386902571.db2.gz FYKWULZRSRDZDZ-TUAOUCFPSA-N 1 2 247.298 0.650 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@]2(CO)CCOC2)o1 ZINC000330790945 386904185 /nfs/dbraw/zinc/90/41/85/386904185.db2.gz AHGKZOWMPXKTOL-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@]2(CO)CCOC2)o1 ZINC000330790945 386904188 /nfs/dbraw/zinc/90/41/88/386904188.db2.gz AHGKZOWMPXKTOL-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO C[N@H+](Cc1ccon1)[C@]1(CO)CCOC1 ZINC000330855955 386913439 /nfs/dbraw/zinc/91/34/39/386913439.db2.gz PQVAQHDWKZTPBC-JTQLQIEISA-N 1 2 212.249 0.258 20 0 BCADLO C[N@@H+](Cc1ccon1)[C@]1(CO)CCOC1 ZINC000330855955 386913444 /nfs/dbraw/zinc/91/34/44/386913444.db2.gz PQVAQHDWKZTPBC-JTQLQIEISA-N 1 2 212.249 0.258 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000367976382 386923321 /nfs/dbraw/zinc/92/33/21/386923321.db2.gz KKESOCICPVRFIW-HOSYDEDBSA-N 1 2 249.314 0.851 20 0 BCADLO CO[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000330895476 386923797 /nfs/dbraw/zinc/92/37/97/386923797.db2.gz MRPDZVCNOIJSPM-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO COC1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000331917948 386925897 /nfs/dbraw/zinc/92/58/97/386925897.db2.gz URGMYABGXORRPQ-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000302554930 386926989 /nfs/dbraw/zinc/92/69/89/386926989.db2.gz RJKMRKXBTVYDED-MRVPVSSYSA-N 1 2 228.321 0.041 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330949313 386927127 /nfs/dbraw/zinc/92/71/27/386927127.db2.gz JJQYLLKPMONNHL-VIFPVBQESA-N 1 2 239.319 0.820 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@](C)(O)C1CC1 ZINC000341592171 386929079 /nfs/dbraw/zinc/92/90/79/386929079.db2.gz GOIAJGNIBGSBLF-LLVKDONJSA-N 1 2 223.276 0.529 20 0 BCADLO C[C@@H](CCCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330964573 386929545 /nfs/dbraw/zinc/92/95/45/386929545.db2.gz PXJIIEIWLYRFNE-VIFPVBQESA-N 1 2 239.319 0.965 20 0 BCADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnnn1C ZINC000330956907 386930791 /nfs/dbraw/zinc/93/07/91/386930791.db2.gz NFTHWCLRSOIMFX-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnnn1C ZINC000330956907 386930795 /nfs/dbraw/zinc/93/07/95/386930795.db2.gz NFTHWCLRSOIMFX-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO COCCn1cc(C[NH2+]Cc2[nH]ncc2C)cn1 ZINC000352894387 386931033 /nfs/dbraw/zinc/93/10/33/386931033.db2.gz MRCBOHBHMHVXOH-UHFFFAOYSA-N 1 2 249.318 0.851 20 0 BCADLO COCCn1cc(C[NH2+]Cc2n[nH]cc2C)cn1 ZINC000352894387 386931038 /nfs/dbraw/zinc/93/10/38/386931038.db2.gz MRCBOHBHMHVXOH-UHFFFAOYSA-N 1 2 249.318 0.851 20 0 BCADLO CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335835013 386933711 /nfs/dbraw/zinc/93/37/11/386933711.db2.gz BHJNPAPMEHZLSP-VIFPVBQESA-N 1 2 207.277 0.924 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331990952 386937053 /nfs/dbraw/zinc/93/70/53/386937053.db2.gz YWRBBVODFQCZIA-IUCAKERBSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331990952 386937059 /nfs/dbraw/zinc/93/70/59/386937059.db2.gz YWRBBVODFQCZIA-IUCAKERBSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000331989095 386937477 /nfs/dbraw/zinc/93/74/77/386937477.db2.gz YPASLFGDRXATQQ-JGVFFNPUSA-N 1 2 209.249 0.451 20 0 BCADLO CC(=O)NCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302783143 386937578 /nfs/dbraw/zinc/93/75/78/386937578.db2.gz KWYACFWFPSOURD-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CC(=O)NCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302783143 386937582 /nfs/dbraw/zinc/93/75/82/386937582.db2.gz KWYACFWFPSOURD-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO COC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332012379 386940315 /nfs/dbraw/zinc/94/03/15/386940315.db2.gz ROVJXZDBZKIODF-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO COC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332012379 386940317 /nfs/dbraw/zinc/94/03/17/386940317.db2.gz ROVJXZDBZKIODF-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330980492 386940967 /nfs/dbraw/zinc/94/09/67/386940967.db2.gz PKKOTTTZZDMCIG-BDAKNGLRSA-N 1 2 239.319 0.820 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000331007341 386944701 /nfs/dbraw/zinc/94/47/01/386944701.db2.gz LZGRQSGMUHXXIR-UTLUCORTSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000331007341 386944706 /nfs/dbraw/zinc/94/47/06/386944706.db2.gz LZGRQSGMUHXXIR-UTLUCORTSA-N 1 2 245.319 0.144 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000331011140 386945499 /nfs/dbraw/zinc/94/54/99/386945499.db2.gz JFFGPMBIHNZQKX-PWSUYJOCSA-N 1 2 239.319 0.795 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC000331081081 386956209 /nfs/dbraw/zinc/95/62/09/386956209.db2.gz XQPDDEAOLADMFY-VIFPVBQESA-N 1 2 239.319 0.628 20 0 BCADLO FC(F)COCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368336306 386962844 /nfs/dbraw/zinc/96/28/44/386962844.db2.gz MMDBXONMYQYVNA-JGVFFNPUSA-N 1 2 207.220 0.741 20 0 BCADLO FC(F)COCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368336306 386962849 /nfs/dbraw/zinc/96/28/49/386962849.db2.gz MMDBXONMYQYVNA-JGVFFNPUSA-N 1 2 207.220 0.741 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000332138426 386964170 /nfs/dbraw/zinc/96/41/70/386964170.db2.gz LNMAJCJHOJZCOU-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000332138426 386964175 /nfs/dbraw/zinc/96/41/75/386964175.db2.gz LNMAJCJHOJZCOU-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cn1 ZINC000368377488 386966886 /nfs/dbraw/zinc/96/68/86/386966886.db2.gz QIGJCMVNOJCDMR-MNOVXSKESA-N 1 2 235.287 0.558 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cn1 ZINC000368377488 386966894 /nfs/dbraw/zinc/96/68/94/386966894.db2.gz QIGJCMVNOJCDMR-MNOVXSKESA-N 1 2 235.287 0.558 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368394301 386969382 /nfs/dbraw/zinc/96/93/82/386969382.db2.gz UMDFUGKLZWEUNV-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368394301 386969387 /nfs/dbraw/zinc/96/93/87/386969387.db2.gz UMDFUGKLZWEUNV-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000332267792 386969796 /nfs/dbraw/zinc/96/97/96/386969796.db2.gz BRCZBEHZABLVPC-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000331134543 386970327 /nfs/dbraw/zinc/97/03/27/386970327.db2.gz RJSSYTORHIKJPM-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000332308438 386970417 /nfs/dbraw/zinc/97/04/17/386970417.db2.gz MHYJNZUDUSNAIX-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)no1 ZINC000330334534 386970911 /nfs/dbraw/zinc/97/09/11/386970911.db2.gz YSDCYTXPZXISJX-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000332308446 386972207 /nfs/dbraw/zinc/97/22/07/386972207.db2.gz MHYJNZUDUSNAIX-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO CCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000368427126 386972482 /nfs/dbraw/zinc/97/24/82/386972482.db2.gz ZQJMGVBTVCPEPT-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000368427126 386972486 /nfs/dbraw/zinc/97/24/86/386972486.db2.gz ZQJMGVBTVCPEPT-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC(O)(C2CC2)C1 ZINC000368450248 386973451 /nfs/dbraw/zinc/97/34/51/386973451.db2.gz PYGHIIJPELEACU-UHFFFAOYSA-N 1 2 235.287 0.326 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC(O)(C2CC2)C1 ZINC000368450248 386973457 /nfs/dbraw/zinc/97/34/57/386973457.db2.gz PYGHIIJPELEACU-UHFFFAOYSA-N 1 2 235.287 0.326 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000332376594 386974033 /nfs/dbraw/zinc/97/40/33/386974033.db2.gz NHUHVYALEQHAAR-VHSXEESVSA-N 1 2 241.291 0.522 20 0 BCADLO CCOCC[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000332376594 386974040 /nfs/dbraw/zinc/97/40/40/386974040.db2.gz NHUHVYALEQHAAR-VHSXEESVSA-N 1 2 241.291 0.522 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CO ZINC000518998043 386980415 /nfs/dbraw/zinc/98/04/15/386980415.db2.gz FCMCLLCQVRGUGP-BDAKNGLRSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CO ZINC000518998043 386980418 /nfs/dbraw/zinc/98/04/18/386980418.db2.gz FCMCLLCQVRGUGP-BDAKNGLRSA-N 1 2 225.292 0.428 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CCCC2)C1 ZINC000334908232 386982341 /nfs/dbraw/zinc/98/23/41/386982341.db2.gz MGAVGSKWJZEXDP-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CCCC2)C1 ZINC000334908232 386982347 /nfs/dbraw/zinc/98/23/47/386982347.db2.gz MGAVGSKWJZEXDP-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)O ZINC000358572707 386982519 /nfs/dbraw/zinc/98/25/19/386982519.db2.gz XMZFWWIBHFIDES-SECBINFHSA-N 1 2 225.292 0.997 20 0 BCADLO CCCCCNC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000358596851 386984041 /nfs/dbraw/zinc/98/40/41/386984041.db2.gz XTJJEDDXOKAEHJ-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000358596851 386984045 /nfs/dbraw/zinc/98/40/45/386984045.db2.gz XTJJEDDXOKAEHJ-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000331189266 386985298 /nfs/dbraw/zinc/98/52/98/386985298.db2.gz JSCUFTPZEBTCAO-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000331189266 386985304 /nfs/dbraw/zinc/98/53/04/386985304.db2.gz JSCUFTPZEBTCAO-LBPRGKRZSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000395203300 386985652 /nfs/dbraw/zinc/98/56/52/386985652.db2.gz SKJNKRHMZSGHLU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000395203300 386985654 /nfs/dbraw/zinc/98/56/54/386985654.db2.gz SKJNKRHMZSGHLU-IONNQARKSA-N 1 2 211.265 0.581 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000353000273 386986778 /nfs/dbraw/zinc/98/67/78/386986778.db2.gz LECRXJREMVRRAG-VHSXEESVSA-N 1 2 229.320 0.888 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000353000273 386986780 /nfs/dbraw/zinc/98/67/80/386986780.db2.gz LECRXJREMVRRAG-VHSXEESVSA-N 1 2 229.320 0.888 20 0 BCADLO COC[C@@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCO1 ZINC000331222088 386992569 /nfs/dbraw/zinc/99/25/69/386992569.db2.gz CIYGPGSGLZUWLK-ZJUUUORDSA-N 1 2 241.291 0.662 20 0 BCADLO Cc1nc(N[C@H](CCO)C(C)C)nc(N)[nH+]1 ZINC000304459163 386993420 /nfs/dbraw/zinc/99/34/20/386993420.db2.gz LYWQKTQWQMOXAW-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO Cc1nc(N)nc(N[C@H](CCO)C(C)C)[nH+]1 ZINC000304459163 386993427 /nfs/dbraw/zinc/99/34/27/386993427.db2.gz LYWQKTQWQMOXAW-MRVPVSSYSA-N 1 2 225.296 0.581 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332623838 386996074 /nfs/dbraw/zinc/99/60/74/386996074.db2.gz GTROKRQWTGVLFO-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332623838 386996076 /nfs/dbraw/zinc/99/60/76/386996076.db2.gz GTROKRQWTGVLFO-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2c[nH]nc2C)C1 ZINC000332650879 386997829 /nfs/dbraw/zinc/99/78/29/386997829.db2.gz CTKXWGAVHBLPGF-UWVGGRQHSA-N 1 2 238.291 0.843 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2c[nH]nc2C)C1 ZINC000332650879 386997836 /nfs/dbraw/zinc/99/78/36/386997836.db2.gz CTKXWGAVHBLPGF-UWVGGRQHSA-N 1 2 238.291 0.843 20 0 BCADLO CC(C)OC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398827043 387000621 /nfs/dbraw/zinc/00/06/21/387000621.db2.gz GDYDUPCBWCICID-QMMMGPOBSA-N 1 2 239.262 0.696 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000331262739 387001143 /nfs/dbraw/zinc/00/11/43/387001143.db2.gz DVGITVFFVKAAOX-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000341942834 387001337 /nfs/dbraw/zinc/00/13/37/387001337.db2.gz DUAPPMIRMXWTBK-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@]12CCOC2 ZINC000341942834 387001342 /nfs/dbraw/zinc/00/13/42/387001342.db2.gz DUAPPMIRMXWTBK-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000332691975 387001517 /nfs/dbraw/zinc/00/15/17/387001517.db2.gz VDPPSRCPYYSIJK-VIFPVBQESA-N 1 2 233.218 0.964 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000332691975 387001522 /nfs/dbraw/zinc/00/15/22/387001522.db2.gz VDPPSRCPYYSIJK-VIFPVBQESA-N 1 2 233.218 0.964 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331318570 387003391 /nfs/dbraw/zinc/00/33/91/387003391.db2.gz ZLXNWDSMKAYJNN-RKDXNWHRSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331318570 387003394 /nfs/dbraw/zinc/00/33/94/387003394.db2.gz ZLXNWDSMKAYJNN-RKDXNWHRSA-N 1 2 238.291 0.546 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000332715299 387003767 /nfs/dbraw/zinc/00/37/67/387003767.db2.gz PYNBULYGRWKMIE-ZJUUUORDSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncnn1C(C)(C)C ZINC000332715299 387003773 /nfs/dbraw/zinc/00/37/73/387003773.db2.gz PYNBULYGRWKMIE-ZJUUUORDSA-N 1 2 238.335 0.988 20 0 BCADLO COC[C@@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332741364 387006611 /nfs/dbraw/zinc/00/66/11/387006611.db2.gz ZLIHQPAAPHHTOP-JTQLQIEISA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332741364 387006612 /nfs/dbraw/zinc/00/66/12/387006612.db2.gz ZLIHQPAAPHHTOP-JTQLQIEISA-N 1 2 225.296 0.069 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCc1c[nH+]cn1C ZINC000331045399 386948381 /nfs/dbraw/zinc/94/83/81/386948381.db2.gz FLTNGFCTIZZLNB-GFCCVEGCSA-N 1 2 239.319 0.630 20 0 BCADLO CCCCOCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000116400320 386950805 /nfs/dbraw/zinc/95/08/05/386950805.db2.gz AYIGDXKAVXEJOT-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000116400320 386950811 /nfs/dbraw/zinc/95/08/11/386950811.db2.gz AYIGDXKAVXEJOT-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO COC(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000369213575 387032406 /nfs/dbraw/zinc/03/24/06/387032406.db2.gz WWDGNTHUOKIESU-GUBZILKMSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000369213575 387032413 /nfs/dbraw/zinc/03/24/13/387032413.db2.gz WWDGNTHUOKIESU-GUBZILKMSA-N 1 2 240.303 0.278 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425384047 387033814 /nfs/dbraw/zinc/03/38/14/387033814.db2.gz MDSZUMASPDJTQA-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425384047 387033818 /nfs/dbraw/zinc/03/38/18/387033818.db2.gz MDSZUMASPDJTQA-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccccn1 ZINC000070017512 387044244 /nfs/dbraw/zinc/04/42/44/387044244.db2.gz CEXLPUIZBANVFP-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccccn1 ZINC000070017512 387044247 /nfs/dbraw/zinc/04/42/47/387044247.db2.gz CEXLPUIZBANVFP-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO Cc1nc(N2CCOC[C@@H]2C[C@H](C)O)cc[nH+]1 ZINC000248638477 387058497 /nfs/dbraw/zinc/05/84/97/387058497.db2.gz LKBVVOABZYZFSY-ONGXEEELSA-N 1 2 237.303 0.761 20 0 BCADLO CCCCOCC(=O)NCc1c[nH+]c[nH]1 ZINC000359133533 387060105 /nfs/dbraw/zinc/06/01/05/387060105.db2.gz XCAGJNLJVSWEMK-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO CCCCOCC(=O)NCc1c[nH]c[nH+]1 ZINC000359133533 387060110 /nfs/dbraw/zinc/06/01/10/387060110.db2.gz XCAGJNLJVSWEMK-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305769723 387065137 /nfs/dbraw/zinc/06/51/37/387065137.db2.gz JHSBRBSHVKUGBQ-WDSKDSINSA-N 1 2 228.214 0.105 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305769723 387065142 /nfs/dbraw/zinc/06/51/42/387065142.db2.gz JHSBRBSHVKUGBQ-WDSKDSINSA-N 1 2 228.214 0.105 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)C2(CC2)C1 ZINC000368802090 387012622 /nfs/dbraw/zinc/01/26/22/387012622.db2.gz ZHRAIBVWFTYXGH-SECBINFHSA-N 1 2 245.286 0.324 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000333044994 387014457 /nfs/dbraw/zinc/01/44/57/387014457.db2.gz FYSFKHFWGVSTIP-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000331362211 387019168 /nfs/dbraw/zinc/01/91/68/387019168.db2.gz ZYYRINIPBZXTRS-HTQZYQBOSA-N 1 2 240.307 0.915 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000331362211 387019174 /nfs/dbraw/zinc/01/91/74/387019174.db2.gz ZYYRINIPBZXTRS-HTQZYQBOSA-N 1 2 240.307 0.915 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@](F)(CO)C2)C1=O ZINC000334943290 387020793 /nfs/dbraw/zinc/02/07/93/387020793.db2.gz IRDYWXYYYHXUOL-ZYHUDNBSSA-N 1 2 244.310 0.402 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@](F)(CO)C2)C1=O ZINC000334943290 387020798 /nfs/dbraw/zinc/02/07/98/387020798.db2.gz IRDYWXYYYHXUOL-ZYHUDNBSSA-N 1 2 244.310 0.402 20 0 BCADLO CCC[N@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000519148679 387023012 /nfs/dbraw/zinc/02/30/12/387023012.db2.gz MIUAMXAQCVMBED-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc(C2CC2)nn1C ZINC000519148679 387023016 /nfs/dbraw/zinc/02/30/16/387023016.db2.gz MIUAMXAQCVMBED-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330509002 387024427 /nfs/dbraw/zinc/02/44/27/387024427.db2.gz CIMWWXWOYQGCQX-HTQZYQBOSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330509002 387024434 /nfs/dbraw/zinc/02/44/34/387024434.db2.gz CIMWWXWOYQGCQX-HTQZYQBOSA-N 1 2 229.280 0.095 20 0 BCADLO Cn1cc(C[NH+]2CC(CC(F)F)C2)nn1 ZINC000425368959 387027343 /nfs/dbraw/zinc/02/73/43/387027343.db2.gz YROZZLFDRUPZGO-UHFFFAOYSA-N 1 2 216.235 0.902 20 0 BCADLO CC(C)[N@@H+](Cc1nnnn1C1CC1)C[C@@H](C)O ZINC000107043897 387027693 /nfs/dbraw/zinc/02/76/93/387027693.db2.gz UKMJAMRJUHXXTD-SECBINFHSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)[N@H+](Cc1nnnn1C1CC1)C[C@@H](C)O ZINC000107043897 387027696 /nfs/dbraw/zinc/02/76/96/387027696.db2.gz UKMJAMRJUHXXTD-SECBINFHSA-N 1 2 239.323 0.599 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000519183896 387029820 /nfs/dbraw/zinc/02/98/20/387029820.db2.gz XWMAAGVADBEWBS-VIFPVBQESA-N 1 2 224.308 0.641 20 0 BCADLO CCNC(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000519183896 387029824 /nfs/dbraw/zinc/02/98/24/387029824.db2.gz XWMAAGVADBEWBS-VIFPVBQESA-N 1 2 224.308 0.641 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2ccnn2C)C1 ZINC000425377007 387030014 /nfs/dbraw/zinc/03/00/14/387030014.db2.gz YULGBZNGGIVIFP-UHFFFAOYSA-N 1 2 223.276 0.415 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000334986937 387075357 /nfs/dbraw/zinc/07/53/57/387075357.db2.gz OXFOGXOYYLEPPZ-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccon1 ZINC000334988420 387077434 /nfs/dbraw/zinc/07/74/34/387077434.db2.gz WBCKXIKPDBXKFI-SECBINFHSA-N 1 2 214.290 0.584 20 0 BCADLO OC[C@@H]1CSCC[N@H+]1Cc1ccon1 ZINC000334988420 387077439 /nfs/dbraw/zinc/07/74/39/387077439.db2.gz WBCKXIKPDBXKFI-SECBINFHSA-N 1 2 214.290 0.584 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCCO1 ZINC000070819011 387079203 /nfs/dbraw/zinc/07/92/03/387079203.db2.gz GXNZUGSMONJWFX-VIFPVBQESA-N 1 2 223.276 0.937 20 0 BCADLO C[C@H](F)CC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000352376251 387130639 /nfs/dbraw/zinc/13/06/39/387130639.db2.gz MEAHDPUSFXLPLB-YIZRAAEISA-N 1 2 218.272 0.309 20 0 BCADLO C[C@H](F)CC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000352376251 387130642 /nfs/dbraw/zinc/13/06/42/387130642.db2.gz MEAHDPUSFXLPLB-YIZRAAEISA-N 1 2 218.272 0.309 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H]1CCCCNC1=O)CC2 ZINC000369997692 387082720 /nfs/dbraw/zinc/08/27/20/387082720.db2.gz PRDLVEVYCCDLST-LLVKDONJSA-N 1 2 248.330 0.676 20 0 BCADLO CC(C)N(C)C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000066404323 387083537 /nfs/dbraw/zinc/08/35/37/387083537.db2.gz HNMYXDVZNSBDNQ-QWRGUYRKSA-N 1 2 228.336 0.962 20 0 BCADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@H](O)C2)nn1C ZINC000334996398 387088550 /nfs/dbraw/zinc/08/85/50/387088550.db2.gz YDIIRPSJDCWNML-MRVPVSSYSA-N 1 2 229.711 0.949 20 0 BCADLO Cc1c(Cl)c(C[N@H+]2CC[C@@H](O)C2)nn1C ZINC000334996398 387088553 /nfs/dbraw/zinc/08/85/53/387088553.db2.gz YDIIRPSJDCWNML-MRVPVSSYSA-N 1 2 229.711 0.949 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259600 387090007 /nfs/dbraw/zinc/09/00/07/387090007.db2.gz NKXXQCCIRDAYGM-SFYZADRCSA-N 1 2 200.257 0.697 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](F)C1 ZINC000336259600 387090010 /nfs/dbraw/zinc/09/00/10/387090010.db2.gz NKXXQCCIRDAYGM-SFYZADRCSA-N 1 2 200.257 0.697 20 0 BCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259801 387090667 /nfs/dbraw/zinc/09/06/67/387090667.db2.gz UPGHFJRVFMCPOO-JGVFFNPUSA-N 1 2 243.282 0.407 20 0 BCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259801 387090673 /nfs/dbraw/zinc/09/06/73/387090673.db2.gz UPGHFJRVFMCPOO-JGVFFNPUSA-N 1 2 243.282 0.407 20 0 BCADLO O=C(C[NH2+]Cc1cc[nH]n1)NCc1ccco1 ZINC000066971157 387093311 /nfs/dbraw/zinc/09/33/11/387093311.db2.gz TYLUDHXAFSCRDC-UHFFFAOYSA-N 1 2 234.259 0.409 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370167253 387094806 /nfs/dbraw/zinc/09/48/06/387094806.db2.gz LVXLTYKNICVCRB-QMMMGPOBSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370167253 387094810 /nfs/dbraw/zinc/09/48/10/387094810.db2.gz LVXLTYKNICVCRB-QMMMGPOBSA-N 1 2 229.276 0.290 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186500148 387100668 /nfs/dbraw/zinc/10/06/68/387100668.db2.gz IDRKYPVRCALZKL-VWYCJHECSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186500148 387100671 /nfs/dbraw/zinc/10/06/71/387100671.db2.gz IDRKYPVRCALZKL-VWYCJHECSA-N 1 2 245.319 0.146 20 0 BCADLO CC(C)(O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000359455326 387104577 /nfs/dbraw/zinc/10/45/77/387104577.db2.gz GBPJDDZOUHKDFQ-UHFFFAOYSA-N 1 2 223.276 0.386 20 0 BCADLO CC1(C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000228654288 387104781 /nfs/dbraw/zinc/10/47/81/387104781.db2.gz RVMXMIWKMHZTJQ-SNVBAGLBSA-N 1 2 226.320 0.169 20 0 BCADLO Cn1nnnc1C[NH2+][C@H](CO)c1ccccc1 ZINC000359521273 387115458 /nfs/dbraw/zinc/11/54/58/387115458.db2.gz LZYIDIITKODBPD-SNVBAGLBSA-N 1 2 233.275 0.033 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCCCF)CCOC1 ZINC000336766700 387116765 /nfs/dbraw/zinc/11/67/65/387116765.db2.gz RVKLDWOWRYCXOO-SNVBAGLBSA-N 1 2 219.256 0.658 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1cccc(O)c1 ZINC000071140931 387119753 /nfs/dbraw/zinc/11/97/53/387119753.db2.gz XILDIQUZEBTSMM-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000359562823 387124321 /nfs/dbraw/zinc/12/43/21/387124321.db2.gz YWTVSTSDASYKJI-NEPJUHHUSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000359562823 387124325 /nfs/dbraw/zinc/12/43/25/387124325.db2.gz YWTVSTSDASYKJI-NEPJUHHUSA-N 1 2 241.379 0.785 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@]2(CO)CCOC2)nc1 ZINC000359585895 387128196 /nfs/dbraw/zinc/12/81/96/387128196.db2.gz SWWQFPMQQMGFEF-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@]2(CO)CCOC2)nc1 ZINC000359585895 387128202 /nfs/dbraw/zinc/12/82/02/387128202.db2.gz SWWQFPMQQMGFEF-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C1(CO)CC1 ZINC000353153276 387145329 /nfs/dbraw/zinc/14/53/29/387145329.db2.gz JORDGBQFTPVNKO-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C1(CO)CC1 ZINC000353153276 387145331 /nfs/dbraw/zinc/14/53/31/387145331.db2.gz JORDGBQFTPVNKO-UHFFFAOYSA-N 1 2 215.293 0.785 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000353153316 387145648 /nfs/dbraw/zinc/14/56/48/387145648.db2.gz KFIMLHDPFPKROC-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000353153316 387145653 /nfs/dbraw/zinc/14/56/53/387145653.db2.gz KFIMLHDPFPKROC-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO Cc1cnoc1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000371062889 387145854 /nfs/dbraw/zinc/14/58/54/387145854.db2.gz KWIYATADDWLMHG-UHFFFAOYSA-N 1 2 246.270 0.915 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000193297667 387192733 /nfs/dbraw/zinc/19/27/33/387192733.db2.gz UFTTUGBCZPZFTK-LBPRGKRZSA-N 1 2 237.299 0.695 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000193297667 387192739 /nfs/dbraw/zinc/19/27/39/387192739.db2.gz UFTTUGBCZPZFTK-LBPRGKRZSA-N 1 2 237.299 0.695 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000353201866 387155381 /nfs/dbraw/zinc/15/53/81/387155381.db2.gz NUKLOSBZYFZFRB-SECBINFHSA-N 1 2 241.339 0.895 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000353201866 387155382 /nfs/dbraw/zinc/15/53/82/387155382.db2.gz NUKLOSBZYFZFRB-SECBINFHSA-N 1 2 241.339 0.895 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NC1CC1 ZINC000290028318 387169946 /nfs/dbraw/zinc/16/99/46/387169946.db2.gz VOUPRQSFYQIFPK-UHFFFAOYSA-N 1 2 208.265 0.086 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NC1CC1 ZINC000290028318 387169951 /nfs/dbraw/zinc/16/99/51/387169951.db2.gz VOUPRQSFYQIFPK-UHFFFAOYSA-N 1 2 208.265 0.086 20 0 BCADLO Cc1cc(NC(=O)NC[C@H](CO)C2CC2)cc[nH+]1 ZINC000353290941 387174280 /nfs/dbraw/zinc/17/42/80/387174280.db2.gz IODZVDLQKMZIPZ-LLVKDONJSA-N 1 2 249.314 0.952 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H](CO)C2CC2)cc[nH+]1 ZINC000353290942 387174653 /nfs/dbraw/zinc/17/46/53/387174653.db2.gz IODZVDLQKMZIPZ-NSHDSACASA-N 1 2 249.314 0.952 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000571817387 387177637 /nfs/dbraw/zinc/17/76/37/387177637.db2.gz GVDUOWJFNYPCJW-CBAPKCEASA-N 1 2 229.280 0.378 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000571817387 387177642 /nfs/dbraw/zinc/17/76/42/387177642.db2.gz GVDUOWJFNYPCJW-CBAPKCEASA-N 1 2 229.280 0.378 20 0 BCADLO Cn1cc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000284310929 387178820 /nfs/dbraw/zinc/17/88/20/387178820.db2.gz VSNDKHDCQCFLKV-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000353321284 387180656 /nfs/dbraw/zinc/18/06/56/387180656.db2.gz HTSMNSISOOPKHI-SECBINFHSA-N 1 2 211.265 0.697 20 0 BCADLO O=S1CC[NH+](CC2=CCCOC2)CC1 ZINC000353330333 387180773 /nfs/dbraw/zinc/18/07/73/387180773.db2.gz PIEDEOMQXNLMEC-UHFFFAOYSA-N 1 2 215.318 0.397 20 0 BCADLO CC[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000367362480 387190411 /nfs/dbraw/zinc/19/04/11/387190411.db2.gz XVHKIOAJTWRFFE-SECBINFHSA-N 1 2 240.307 0.461 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119566817 387140346 /nfs/dbraw/zinc/14/03/46/387140346.db2.gz MAKLJOPBPWQBQH-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119566817 387140351 /nfs/dbraw/zinc/14/03/51/387140351.db2.gz MAKLJOPBPWQBQH-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@@H]1F ZINC000424592946 387203045 /nfs/dbraw/zinc/20/30/45/387203045.db2.gz PDQVKCGGGLZNFO-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO O=C1CC[N@H+](CCn2cncn2)C2(CCC2)C1 ZINC000572012910 387221396 /nfs/dbraw/zinc/22/13/96/387221396.db2.gz YWSQKKIZQRFBDO-UHFFFAOYSA-N 1 2 234.303 0.866 20 0 BCADLO O=C1CC[N@@H+](CCn2cncn2)C2(CCC2)C1 ZINC000572012910 387221401 /nfs/dbraw/zinc/22/14/01/387221401.db2.gz YWSQKKIZQRFBDO-UHFFFAOYSA-N 1 2 234.303 0.866 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000572055127 387225617 /nfs/dbraw/zinc/22/56/17/387225617.db2.gz DJJQOUFKROHGIN-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1noc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000572055127 387225621 /nfs/dbraw/zinc/22/56/21/387225621.db2.gz DJJQOUFKROHGIN-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc(N(C)C[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000360105535 387226739 /nfs/dbraw/zinc/22/67/39/387226739.db2.gz SJGWGBZZYYDROD-ZETCQYMHSA-N 1 2 225.296 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)C[C@H](C)O)[nH+]1 ZINC000360105535 387226742 /nfs/dbraw/zinc/22/67/42/387226742.db2.gz SJGWGBZZYYDROD-ZETCQYMHSA-N 1 2 225.296 0.063 20 0 BCADLO COC(=O)C[NH+]1CCC(Nc2c[nH]cn2)CC1 ZINC000572101042 387231630 /nfs/dbraw/zinc/23/16/30/387231630.db2.gz HYNNSDQZSNTFNX-UHFFFAOYSA-N 1 2 238.291 0.459 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2nnc[nH]2)cc[nH+]1 ZINC000371651277 387236222 /nfs/dbraw/zinc/23/62/22/387236222.db2.gz ONNUAANNXLHOMT-NXEZZACHSA-N 1 2 243.270 0.672 20 0 BCADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)n1cccn1 ZINC000424677695 387245572 /nfs/dbraw/zinc/24/55/72/387245572.db2.gz HULQHQQHJMDUEO-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)n1cccn1 ZINC000424677695 387245576 /nfs/dbraw/zinc/24/55/76/387245576.db2.gz HULQHQQHJMDUEO-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000360262259 387251879 /nfs/dbraw/zinc/25/18/79/387251879.db2.gz RDTFAESAPBFQHP-IUCAKERBSA-N 1 2 225.292 0.945 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000360262259 387251881 /nfs/dbraw/zinc/25/18/81/387251881.db2.gz RDTFAESAPBFQHP-IUCAKERBSA-N 1 2 225.292 0.945 20 0 BCADLO CCN(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000371338365 387197027 /nfs/dbraw/zinc/19/70/27/387197027.db2.gz BKVHUUKZUBRDNC-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000371338365 387197033 /nfs/dbraw/zinc/19/70/33/387197033.db2.gz BKVHUUKZUBRDNC-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CNC(C)=O ZINC000131458771 387197352 /nfs/dbraw/zinc/19/73/52/387197352.db2.gz QYWDZXQOPKXJSC-UHFFFAOYSA-N 1 2 223.232 0.165 20 0 BCADLO Cc1cnoc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371349936 387198678 /nfs/dbraw/zinc/19/86/78/387198678.db2.gz NYJBRKWYOILQKY-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cnoc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371349936 387198683 /nfs/dbraw/zinc/19/86/83/387198683.db2.gz NYJBRKWYOILQKY-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn[nH]c1 ZINC000572301662 387310658 /nfs/dbraw/zinc/31/06/58/387310658.db2.gz LDRSMXGKGSHWPF-SSDOTTSWSA-N 1 2 219.248 0.950 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cn[nH]c1 ZINC000572301662 387310661 /nfs/dbraw/zinc/31/06/61/387310661.db2.gz LDRSMXGKGSHWPF-SSDOTTSWSA-N 1 2 219.248 0.950 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000360578246 387310712 /nfs/dbraw/zinc/31/07/12/387310712.db2.gz CVYCQHCOLNXMLX-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO Cn1nncc1C[N@H+](C)Cc1ccc[nH]1 ZINC000354025270 387313755 /nfs/dbraw/zinc/31/37/55/387313755.db2.gz AZCGLYJCBMDDQN-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO Cn1nncc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000354025270 387313759 /nfs/dbraw/zinc/31/37/59/387313759.db2.gz AZCGLYJCBMDDQN-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCCO2)CCN1C1CC1 ZINC000336490509 387316237 /nfs/dbraw/zinc/31/62/37/387316237.db2.gz KWTOLRGKRHKUCL-NSHDSACASA-N 1 2 224.304 0.472 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCCO2)CCN1C1CC1 ZINC000336490509 387316241 /nfs/dbraw/zinc/31/62/41/387316241.db2.gz KWTOLRGKRHKUCL-NSHDSACASA-N 1 2 224.304 0.472 20 0 BCADLO C[C@H](CF)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000360592626 387316773 /nfs/dbraw/zinc/31/67/73/387316773.db2.gz AUBFPHOHNQJMDO-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CF ZINC000360592981 387316791 /nfs/dbraw/zinc/31/67/91/387316791.db2.gz DQMBIXAVJRJJNZ-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CF ZINC000360592981 387316795 /nfs/dbraw/zinc/31/67/95/387316795.db2.gz DQMBIXAVJRJJNZ-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO Cn1cncc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000371923398 387257499 /nfs/dbraw/zinc/25/74/99/387257499.db2.gz PZQVQMMPIJQGID-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cn1cncc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000371923398 387257504 /nfs/dbraw/zinc/25/75/04/387257504.db2.gz PZQVQMMPIJQGID-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CC(C)(C)O ZINC000525928889 387277591 /nfs/dbraw/zinc/27/75/91/387277591.db2.gz UYKJGCQWFXIWPH-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO Cc1nnc2n1CC[N@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000372254890 387287673 /nfs/dbraw/zinc/28/76/73/387287673.db2.gz ISEXYXDSDQHQAT-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nnc2n1CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000372254890 387287679 /nfs/dbraw/zinc/28/76/79/387287679.db2.gz ISEXYXDSDQHQAT-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1noc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000514799996 387293941 /nfs/dbraw/zinc/29/39/41/387293941.db2.gz ZTIZROROPJNXAR-RKDXNWHRSA-N 1 2 241.291 0.866 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000514899232 387304357 /nfs/dbraw/zinc/30/43/57/387304357.db2.gz OIOKLSYADCJAPF-ZMWSMAPVSA-N 1 2 223.276 0.326 20 0 BCADLO COC(=O)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000259321698 387304452 /nfs/dbraw/zinc/30/44/52/387304452.db2.gz DECAPJYFMCWHFN-ZETCQYMHSA-N 1 2 249.274 0.727 20 0 BCADLO COCC[N@H+](CCO)Cc1nccs1 ZINC000148252638 387355488 /nfs/dbraw/zinc/35/54/88/387355488.db2.gz XPQKVUONIBTJGU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO COCC[N@@H+](CCO)Cc1nccs1 ZINC000148252638 387355493 /nfs/dbraw/zinc/35/54/93/387355493.db2.gz XPQKVUONIBTJGU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1CC(=O)C1)CC2 ZINC000373298648 387356763 /nfs/dbraw/zinc/35/67/63/387356763.db2.gz BHPXOYCCWOAFAZ-UHFFFAOYSA-N 1 2 233.271 0.513 20 0 BCADLO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH3+])C1=O ZINC000515307979 387364561 /nfs/dbraw/zinc/36/45/61/387364561.db2.gz DFHHXOZTFRQTJN-VXNVDRBHSA-N 1 2 219.244 0.229 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1(O)CCC1)CC2 ZINC000373483597 387375604 /nfs/dbraw/zinc/37/56/04/387375604.db2.gz LBMFKAZUVYDIAR-UHFFFAOYSA-N 1 2 235.287 0.449 20 0 BCADLO C[C@H]1CSC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000336554462 387377282 /nfs/dbraw/zinc/37/72/82/387377282.db2.gz VNGDCZKRCSVHQI-DTWKUNHWSA-N 1 2 225.317 0.751 20 0 BCADLO Cn1ccnc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000515433148 387379612 /nfs/dbraw/zinc/37/96/12/387379612.db2.gz PQURDDZGLVAWFP-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO CC[C@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000287178314 387381550 /nfs/dbraw/zinc/38/15/50/387381550.db2.gz JZNXDDAYMTUIKK-JTQLQIEISA-N 1 2 213.277 0.874 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000572323960 387321710 /nfs/dbraw/zinc/32/17/10/387321710.db2.gz BPTGTMXEVXYRLP-JTQLQIEISA-N 1 2 235.287 0.498 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000572323960 387321712 /nfs/dbraw/zinc/32/17/12/387321712.db2.gz BPTGTMXEVXYRLP-JTQLQIEISA-N 1 2 235.287 0.498 20 0 BCADLO O=C(CC[N@H+]1CCC(F)(F)C1)N1CCOCC1 ZINC000336498272 387323126 /nfs/dbraw/zinc/32/31/26/387323126.db2.gz LYFUDLPCECUADG-UHFFFAOYSA-N 1 2 248.273 0.576 20 0 BCADLO O=C(CC[N@@H+]1CCC(F)(F)C1)N1CCOCC1 ZINC000336498272 387323130 /nfs/dbraw/zinc/32/31/30/387323130.db2.gz LYFUDLPCECUADG-UHFFFAOYSA-N 1 2 248.273 0.576 20 0 BCADLO COC(=O)C[NH+]1CCC(c2cnccn2)CC1 ZINC000372693609 387323131 /nfs/dbraw/zinc/32/31/31/387323131.db2.gz VZASHRQNSPMUGM-UHFFFAOYSA-N 1 2 235.287 0.829 20 0 BCADLO CC(C)[N@H+](Cc1nncn1C)[C@@H]1CCOC1 ZINC000515025440 387324745 /nfs/dbraw/zinc/32/47/45/387324745.db2.gz JIRDQMPYBAPQEJ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)[N@@H+](Cc1nncn1C)[C@@H]1CCOC1 ZINC000515025440 387324753 /nfs/dbraw/zinc/32/47/53/387324753.db2.gz JIRDQMPYBAPQEJ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCOC1 ZINC000373578681 387382829 /nfs/dbraw/zinc/38/28/29/387382829.db2.gz BGWGEOFUSNELEY-MFKMUULPSA-N 1 2 249.314 0.741 20 0 BCADLO COC(=O)c1ncn(Cc2c[nH+]ccc2OC)n1 ZINC000286417708 387328378 /nfs/dbraw/zinc/32/83/78/387328378.db2.gz CXCAEQGICBZAPS-UHFFFAOYSA-N 1 2 248.242 0.517 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1C(N)=O ZINC000354104880 387329583 /nfs/dbraw/zinc/32/95/83/387329583.db2.gz UAAFQJUKLAHXLS-JTQLQIEISA-N 1 2 248.286 0.294 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCOC1=O ZINC000372996975 387338480 /nfs/dbraw/zinc/33/84/80/387338480.db2.gz MPGJUBXVVSFBOP-LLVKDONJSA-N 1 2 249.314 0.967 20 0 BCADLO C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOC1 ZINC000373578679 387383587 /nfs/dbraw/zinc/38/35/87/387383587.db2.gz BGWGEOFUSNELEY-GWCFXTLKSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCOC1 ZINC000373578684 387383775 /nfs/dbraw/zinc/38/37/75/387383775.db2.gz BGWGEOFUSNELEY-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352658705 387424546 /nfs/dbraw/zinc/42/45/46/387424546.db2.gz FUQDAFVVQCSADF-SNVBAGLBSA-N 1 2 241.335 0.016 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352658705 387424555 /nfs/dbraw/zinc/42/45/55/387424555.db2.gz FUQDAFVVQCSADF-SNVBAGLBSA-N 1 2 241.335 0.016 20 0 BCADLO Cn1nnc(C[NH+]2C[C@H]3CCC[C@@H]3C2)n1 ZINC000194440426 387425691 /nfs/dbraw/zinc/42/56/91/387425691.db2.gz QCIPJIYYQBLFPX-RKDXNWHRSA-N 1 2 207.281 0.442 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661923 387427225 /nfs/dbraw/zinc/42/72/25/387427225.db2.gz VQCLCFFABDHFNT-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661923 387427228 /nfs/dbraw/zinc/42/72/28/387427228.db2.gz VQCLCFFABDHFNT-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000515853636 387431026 /nfs/dbraw/zinc/43/10/26/387431026.db2.gz CCFXRBLFHJKCFF-RKDXNWHRSA-N 1 2 239.275 0.512 20 0 BCADLO COC(=O)C[N@H+](CCO)CCc1ccccc1 ZINC000304069646 387432814 /nfs/dbraw/zinc/43/28/14/387432814.db2.gz VBIHDGPDVIVWIN-UHFFFAOYSA-N 1 2 237.299 0.696 20 0 BCADLO COC(=O)C[N@@H+](CCO)CCc1ccccc1 ZINC000304069646 387432816 /nfs/dbraw/zinc/43/28/16/387432816.db2.gz VBIHDGPDVIVWIN-UHFFFAOYSA-N 1 2 237.299 0.696 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000515898750 387437257 /nfs/dbraw/zinc/43/72/57/387437257.db2.gz HEQOVXBQMDGIPB-WDEREUQCSA-N 1 2 219.288 0.877 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352701995 387441672 /nfs/dbraw/zinc/44/16/72/387441672.db2.gz XCJWWNHPOTVCEU-IUCAKERBSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352701995 387441674 /nfs/dbraw/zinc/44/16/74/387441674.db2.gz XCJWWNHPOTVCEU-IUCAKERBSA-N 1 2 210.281 0.160 20 0 BCADLO COCc1nc(C[N@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352702307 387442778 /nfs/dbraw/zinc/44/27/78/387442778.db2.gz XHGJJBIHWWASLS-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352702307 387442784 /nfs/dbraw/zinc/44/27/84/387442784.db2.gz XHGJJBIHWWASLS-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000162606899 387447633 /nfs/dbraw/zinc/44/76/33/387447633.db2.gz QGCKTDQESVRDRB-UWVGGRQHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000162606899 387447639 /nfs/dbraw/zinc/44/76/39/387447639.db2.gz QGCKTDQESVRDRB-UWVGGRQHSA-N 1 2 224.308 0.408 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1c1nnc[nH]1 ZINC000361018790 387389734 /nfs/dbraw/zinc/38/97/34/387389734.db2.gz PKKFAESOQCKPPS-DTWKUNHWSA-N 1 2 243.270 0.672 20 0 BCADLO CC(F)(F)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000373799576 387396390 /nfs/dbraw/zinc/39/63/90/387396390.db2.gz IUUWHOSYZYXQPK-SECBINFHSA-N 1 2 247.289 0.148 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373936976 387407258 /nfs/dbraw/zinc/40/72/58/387407258.db2.gz XKAXCTWCRLWSBK-ZYHUDNBSSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373936976 387407262 /nfs/dbraw/zinc/40/72/62/387407262.db2.gz XKAXCTWCRLWSBK-ZYHUDNBSSA-N 1 2 247.298 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000354635018 387407578 /nfs/dbraw/zinc/40/75/78/387407578.db2.gz KHQYAQHCBIGRCX-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000354635018 387407582 /nfs/dbraw/zinc/40/75/82/387407582.db2.gz KHQYAQHCBIGRCX-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1noc(C)c1C[NH+]1CC(n2ccnn2)C1 ZINC000374842974 387494300 /nfs/dbraw/zinc/49/43/00/387494300.db2.gz ULWQKWMNMGJCQA-UHFFFAOYSA-N 1 2 233.275 0.940 20 0 BCADLO CCOc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000355186171 387494533 /nfs/dbraw/zinc/49/45/33/387494533.db2.gz JQZRJVHBKRUZFU-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000355186171 387494540 /nfs/dbraw/zinc/49/45/40/387494540.db2.gz JQZRJVHBKRUZFU-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO Cn1nnnc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374879987 387496986 /nfs/dbraw/zinc/49/69/86/387496986.db2.gz SBVPRFAPRPOUQK-MRVPVSSYSA-N 1 2 233.279 0.270 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000085793517 387501477 /nfs/dbraw/zinc/50/14/77/387501477.db2.gz SUIFPQSPELPUGE-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000085793517 387501481 /nfs/dbraw/zinc/50/14/81/387501481.db2.gz SUIFPQSPELPUGE-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCOCC[C@H]1C ZINC000375002570 387506306 /nfs/dbraw/zinc/50/63/06/387506306.db2.gz HCRUIHFUAZBKLS-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCOCC[C@H]1C ZINC000375002570 387506311 /nfs/dbraw/zinc/50/63/11/387506311.db2.gz HCRUIHFUAZBKLS-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cn[nH]c1 ZINC000355264769 387508381 /nfs/dbraw/zinc/50/83/81/387508381.db2.gz NJOQHJPJPXGITP-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361628344 387512991 /nfs/dbraw/zinc/51/29/91/387512991.db2.gz HZOYLFVNOGPJEV-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CCCCOC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361628344 387512995 /nfs/dbraw/zinc/51/29/95/387512995.db2.gz HZOYLFVNOGPJEV-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352818857 387515235 /nfs/dbraw/zinc/51/52/35/387515235.db2.gz VDBQTGUPENCHEN-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352818857 387515240 /nfs/dbraw/zinc/51/52/40/387515240.db2.gz VDBQTGUPENCHEN-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000355311997 387518319 /nfs/dbraw/zinc/51/83/19/387518319.db2.gz FXHNGWZPISZSKI-YUSALJHKSA-N 1 2 249.314 0.804 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000527182345 387519548 /nfs/dbraw/zinc/51/95/48/387519548.db2.gz FHBSQVGURNRCLU-BBBLOLIVSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000527182345 387519554 /nfs/dbraw/zinc/51/95/54/387519554.db2.gz FHBSQVGURNRCLU-BBBLOLIVSA-N 1 2 212.293 0.326 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ncccc1O ZINC000527190369 387522460 /nfs/dbraw/zinc/52/24/60/387522460.db2.gz LLAZSVAGWADPGR-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCSC1 ZINC000527190127 387523079 /nfs/dbraw/zinc/52/30/79/387523079.db2.gz APSJTBCUEBCDTC-MRVPVSSYSA-N 1 2 225.317 0.584 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN1CCOCC1(C)C ZINC000192701570 387523498 /nfs/dbraw/zinc/52/34/98/387523498.db2.gz PPGXBYZAIBINDZ-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN1CCOCC1(C)C ZINC000192701570 387523501 /nfs/dbraw/zinc/52/35/01/387523501.db2.gz PPGXBYZAIBINDZ-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(C)nc1 ZINC000355344663 387524163 /nfs/dbraw/zinc/52/41/63/387524163.db2.gz DEPZQMWWOFLRQI-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)nc1 ZINC000355344663 387524168 /nfs/dbraw/zinc/52/41/68/387524168.db2.gz DEPZQMWWOFLRQI-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO C[N@H+](Cc1csnn1)CC1(O)CCC1 ZINC000355375694 387527506 /nfs/dbraw/zinc/52/75/06/387527506.db2.gz VMJUPSLAMKYWGK-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[N@@H+](Cc1csnn1)CC1(O)CCC1 ZINC000355375694 387527508 /nfs/dbraw/zinc/52/75/08/387527508.db2.gz VMJUPSLAMKYWGK-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CO[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000361738089 387528868 /nfs/dbraw/zinc/52/88/68/387528868.db2.gz SVZGKOQYPORLCK-SNVBAGLBSA-N 1 2 238.291 0.313 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NCC1CC1 ZINC000375343935 387532276 /nfs/dbraw/zinc/53/22/76/387532276.db2.gz ZYHUUZCRXJCKNM-LBPRGKRZSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NCC1CC1 ZINC000375343935 387532283 /nfs/dbraw/zinc/53/22/83/387532283.db2.gz ZYHUUZCRXJCKNM-LBPRGKRZSA-N 1 2 238.331 0.623 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000192774159 387532550 /nfs/dbraw/zinc/53/25/50/387532550.db2.gz YZEBJFUNJQVITO-LLVKDONJSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000192774159 387532556 /nfs/dbraw/zinc/53/25/56/387532556.db2.gz YZEBJFUNJQVITO-LLVKDONJSA-N 1 2 240.307 0.482 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000192774682 387533129 /nfs/dbraw/zinc/53/31/29/387533129.db2.gz XWUJHYMIDJEQQV-BDAKNGLRSA-N 1 2 247.302 0.977 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000361798812 387534732 /nfs/dbraw/zinc/53/47/32/387534732.db2.gz NKQJBHOQFYUTMN-UHFFFAOYSA-N 1 2 236.279 0.159 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)O)[C@@H](C)CC ZINC000192788629 387535077 /nfs/dbraw/zinc/53/50/77/387535077.db2.gz PEHORVPUBHCBME-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)CC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000521450079 387536443 /nfs/dbraw/zinc/53/64/43/387536443.db2.gz GTXHNEWQWFBCPX-UHFFFAOYSA-N 1 2 237.259 0.095 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](C)O)C1 ZINC000192812384 387537871 /nfs/dbraw/zinc/53/78/71/387537871.db2.gz QKMKDAXZUXWGSI-FKTZTGRPSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](C)O)C1 ZINC000192812384 387537879 /nfs/dbraw/zinc/53/78/79/387537879.db2.gz QKMKDAXZUXWGSI-FKTZTGRPSA-N 1 2 241.291 0.521 20 0 BCADLO CCn1c[nH+]cc1CNCC(F)(F)CO ZINC000228648072 387538100 /nfs/dbraw/zinc/53/81/00/387538100.db2.gz WLPPALSEBYSKDT-UHFFFAOYSA-N 1 2 219.235 0.620 20 0 BCADLO OCCN1CC[NH+](CC2(F)CC2)CC1 ZINC000527218784 387539375 /nfs/dbraw/zinc/53/93/75/387539375.db2.gz OFNBJPWTQKHUIP-UHFFFAOYSA-N 1 2 202.273 0.098 20 0 BCADLO CC1(NC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000162656691 387463711 /nfs/dbraw/zinc/46/37/11/387463711.db2.gz LBPWZGVFLUROJJ-UHFFFAOYSA-N 1 2 241.335 0.560 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374540950 387466653 /nfs/dbraw/zinc/46/66/53/387466653.db2.gz IKMVTKAHGZIDPZ-QMMMGPOBSA-N 1 2 224.264 0.157 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374540950 387466659 /nfs/dbraw/zinc/46/66/59/387466659.db2.gz IKMVTKAHGZIDPZ-QMMMGPOBSA-N 1 2 224.264 0.157 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)[C@H]1CCOC1 ZINC000516177904 387468502 /nfs/dbraw/zinc/46/85/02/387468502.db2.gz DDJXKZYMALDAKC-JTQLQIEISA-N 1 2 236.319 0.913 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)[C@H]1CCOC1 ZINC000516177904 387468505 /nfs/dbraw/zinc/46/85/05/387468505.db2.gz DDJXKZYMALDAKC-JTQLQIEISA-N 1 2 236.319 0.913 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC(OC(C)C)C1)[C@@H](C)O ZINC000355056592 387471837 /nfs/dbraw/zinc/47/18/37/387471837.db2.gz NIPWODRGHNAPOX-AGVGLQIMSA-N 1 2 245.319 0.454 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H]1O ZINC000424062183 387473401 /nfs/dbraw/zinc/47/34/01/387473401.db2.gz GNQNXUVOEQLMIP-IVZWLZJFSA-N 1 2 238.291 0.094 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnccn1)CC2 ZINC000374658038 387478082 /nfs/dbraw/zinc/47/80/82/387478082.db2.gz ATZKUOLKGHTIKY-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnn(C)n1 ZINC000193486271 387542203 /nfs/dbraw/zinc/54/22/03/387542203.db2.gz JXBMHKACXOGUMG-VIFPVBQESA-N 1 2 227.312 0.049 20 0 BCADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1nnn(C)n1 ZINC000193486271 387542207 /nfs/dbraw/zinc/54/22/07/387542207.db2.gz JXBMHKACXOGUMG-VIFPVBQESA-N 1 2 227.312 0.049 20 0 BCADLO CCO[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374659842 387479198 /nfs/dbraw/zinc/47/91/98/387479198.db2.gz DMLBMELMPIDOAZ-SNVBAGLBSA-N 1 2 237.303 0.959 20 0 BCADLO O=C1CCCN1CC[NH+]1CC(O)(C2CC2)C1 ZINC000375466819 387542458 /nfs/dbraw/zinc/54/24/58/387542458.db2.gz GKFXSJSUNUIHAT-UHFFFAOYSA-N 1 2 224.304 0.066 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)NC1CC1)CC2 ZINC000374709379 387486206 /nfs/dbraw/zinc/48/62/06/387486206.db2.gz IDKKTZQMPUCKKC-JTQLQIEISA-N 1 2 248.330 0.674 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N(CCO)C1CCC1 ZINC000527137207 387492561 /nfs/dbraw/zinc/49/25/61/387492561.db2.gz PMQXLCGGIGPQCH-UHFFFAOYSA-N 1 2 237.303 0.336 20 0 BCADLO CO[C@H]1COC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000290586804 387580248 /nfs/dbraw/zinc/58/02/48/387580248.db2.gz CLJDSOSNEACTIN-IUCAKERBSA-N 1 2 209.249 0.611 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375981195 387599381 /nfs/dbraw/zinc/59/93/81/387599381.db2.gz OZRKLELUYOIZBW-MRVPVSSYSA-N 1 2 236.271 0.707 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375981195 387599384 /nfs/dbraw/zinc/59/93/84/387599384.db2.gz OZRKLELUYOIZBW-MRVPVSSYSA-N 1 2 236.271 0.707 20 0 BCADLO COCc1nocc1C(=O)N1CC[NH+](C)CC1 ZINC000362363528 387601723 /nfs/dbraw/zinc/60/17/23/387601723.db2.gz CGYZGJHIVRKISF-UHFFFAOYSA-N 1 2 239.275 0.209 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000122836066 387606817 /nfs/dbraw/zinc/60/68/17/387606817.db2.gz LXRHFGLLAKCDLI-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000122836066 387606822 /nfs/dbraw/zinc/60/68/22/387606822.db2.gz LXRHFGLLAKCDLI-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000305444981 387607757 /nfs/dbraw/zinc/60/77/57/387607757.db2.gz OTTTXKJKFFJFBV-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000305444981 387607758 /nfs/dbraw/zinc/60/77/58/387607758.db2.gz OTTTXKJKFFJFBV-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000305444976 387607844 /nfs/dbraw/zinc/60/78/44/387607844.db2.gz OTTTXKJKFFJFBV-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)ccn1 ZINC000527539051 387607818 /nfs/dbraw/zinc/60/78/18/387607818.db2.gz OPUOACYJTDWOSV-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)ccn1 ZINC000527539051 387607822 /nfs/dbraw/zinc/60/78/22/387607822.db2.gz OPUOACYJTDWOSV-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000305444976 387607848 /nfs/dbraw/zinc/60/78/48/387607848.db2.gz OTTTXKJKFFJFBV-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000376416382 387629203 /nfs/dbraw/zinc/62/92/03/387629203.db2.gz RKPXEOSFGFTUDC-JPOQUURFSA-N 1 2 237.347 0.459 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000356124647 387617750 /nfs/dbraw/zinc/61/77/50/387617750.db2.gz JWLJMNCALGBELW-SECBINFHSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000356124647 387617754 /nfs/dbraw/zinc/61/77/54/387617754.db2.gz JWLJMNCALGBELW-SECBINFHSA-N 1 2 208.265 0.038 20 0 BCADLO CN(CCC[NH+]1CCOCC1)CC(C)(C)C[NH3+] ZINC000430595226 387629752 /nfs/dbraw/zinc/62/97/52/387629752.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 1 2 243.395 0.625 20 0 BCADLO C[C@@H](CCO)CNC(=O)NCCn1cc[nH+]c1 ZINC000361857450 387547326 /nfs/dbraw/zinc/54/73/26/387547326.db2.gz AKTHUQDZQNDEOP-JTQLQIEISA-N 1 2 240.307 0.201 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426235552 387549739 /nfs/dbraw/zinc/54/97/39/387549739.db2.gz DEKXBOWJEXFHGU-ZETCQYMHSA-N 1 2 237.246 0.640 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426235551 387550009 /nfs/dbraw/zinc/55/00/09/387550009.db2.gz DEKXBOWJEXFHGU-SSDOTTSWSA-N 1 2 237.246 0.640 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@H]2CCO)no1 ZINC000426247279 387550142 /nfs/dbraw/zinc/55/01/42/387550142.db2.gz ALBFSZSSQILWLX-VIFPVBQESA-N 1 2 241.291 0.563 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@H]2CCO)no1 ZINC000426247279 387550146 /nfs/dbraw/zinc/55/01/46/387550146.db2.gz ALBFSZSSQILWLX-VIFPVBQESA-N 1 2 241.291 0.563 20 0 BCADLO CCC[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000035187836 387551235 /nfs/dbraw/zinc/55/12/35/387551235.db2.gz LGGBPXMZSIVQSQ-NSHDSACASA-N 1 2 228.336 0.559 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361959643 387556599 /nfs/dbraw/zinc/55/65/99/387556599.db2.gz QSTADKWQNQXYMC-JTQLQIEISA-N 1 2 235.287 0.829 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361959643 387556602 /nfs/dbraw/zinc/55/66/02/387556602.db2.gz QSTADKWQNQXYMC-JTQLQIEISA-N 1 2 235.287 0.829 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1CC1(C)COC1 ZINC000361983677 387557308 /nfs/dbraw/zinc/55/73/08/387557308.db2.gz JIJNDPNIRNBAAM-SECBINFHSA-N 1 2 222.292 0.691 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1CC1(C)COC1 ZINC000361983677 387557313 /nfs/dbraw/zinc/55/73/13/387557313.db2.gz JIJNDPNIRNBAAM-SECBINFHSA-N 1 2 222.292 0.691 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cnn1C ZINC000305134393 387557451 /nfs/dbraw/zinc/55/74/51/387557451.db2.gz OACXRIIVUODRDY-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cnn1C ZINC000305134393 387557455 /nfs/dbraw/zinc/55/74/55/387557455.db2.gz OACXRIIVUODRDY-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1CC1(C)COC1 ZINC000361983678 387557896 /nfs/dbraw/zinc/55/78/96/387557896.db2.gz JIJNDPNIRNBAAM-VIFPVBQESA-N 1 2 222.292 0.691 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1CC1(C)COC1 ZINC000361983678 387557899 /nfs/dbraw/zinc/55/78/99/387557899.db2.gz JIJNDPNIRNBAAM-VIFPVBQESA-N 1 2 222.292 0.691 20 0 BCADLO CO[C@@H](C(=O)N1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000375668141 387565508 /nfs/dbraw/zinc/56/55/08/387565508.db2.gz CSXLORNZFVBCSS-GFCCVEGCSA-N 1 2 249.314 0.959 20 0 BCADLO COCC[N@H+](CC(=O)OC)CC(C)(C)COC ZINC000426409087 387565573 /nfs/dbraw/zinc/56/55/73/387565573.db2.gz FVHYSYFWXYINAU-UHFFFAOYSA-N 1 2 247.335 0.780 20 0 BCADLO COCC[N@@H+](CC(=O)OC)CC(C)(C)COC ZINC000426409087 387565577 /nfs/dbraw/zinc/56/55/77/387565577.db2.gz FVHYSYFWXYINAU-UHFFFAOYSA-N 1 2 247.335 0.780 20 0 BCADLO Cc1cnn(CCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114124605 387566389 /nfs/dbraw/zinc/56/63/89/387566389.db2.gz JEBNABQVLDHDMW-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000362071651 387566504 /nfs/dbraw/zinc/56/65/04/387566504.db2.gz JFARHWDOJBSFKH-VHSXEESVSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000362071651 387566506 /nfs/dbraw/zinc/56/65/06/387566506.db2.gz JFARHWDOJBSFKH-VHSXEESVSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1CCC(C)(C)O ZINC000362069452 387566544 /nfs/dbraw/zinc/56/65/44/387566544.db2.gz FGVJVNANKLWOGG-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1CCC(C)(C)O ZINC000362069452 387566546 /nfs/dbraw/zinc/56/65/46/387566546.db2.gz FGVJVNANKLWOGG-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO c1nc([C@H]2CCC[N@@H+]2[C@@H]2CCOC2)no1 ZINC000375698237 387568566 /nfs/dbraw/zinc/56/85/66/387568566.db2.gz PUMBLNKGLPMJDR-RKDXNWHRSA-N 1 2 209.249 0.995 20 0 BCADLO c1nc([C@H]2CCC[N@H+]2[C@@H]2CCOC2)no1 ZINC000375698237 387568568 /nfs/dbraw/zinc/56/85/68/387568568.db2.gz PUMBLNKGLPMJDR-RKDXNWHRSA-N 1 2 209.249 0.995 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399893303 387576658 /nfs/dbraw/zinc/57/66/58/387576658.db2.gz ZAZYBJBAYZYZIA-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399893303 387576663 /nfs/dbraw/zinc/57/66/63/387576663.db2.gz ZAZYBJBAYZYZIA-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399893306 387577023 /nfs/dbraw/zinc/57/70/23/387577023.db2.gz ZAZYBJBAYZYZIA-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CCOC[C@@H](O)C1 ZINC000399893306 387577027 /nfs/dbraw/zinc/57/70/27/387577027.db2.gz ZAZYBJBAYZYZIA-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CO[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054872469 387578717 /nfs/dbraw/zinc/57/87/17/387578717.db2.gz NVVWFSSXVBXKOS-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO Cn1cc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000124857578 387634391 /nfs/dbraw/zinc/63/43/91/387634391.db2.gz ZHHOUAYXVPGZGF-UHFFFAOYSA-N 1 2 234.303 0.340 20 0 BCADLO COCc1nc(C[NH2+]C(C)(C)C(C)(C)O)no1 ZINC000356281788 387637283 /nfs/dbraw/zinc/63/72/83/387637283.db2.gz LUSIMZWDHVSFSU-UHFFFAOYSA-N 1 2 243.307 0.855 20 0 BCADLO Cc1cocc1C(=O)NCC[NH+]1CCOCC1 ZINC000527648176 387639799 /nfs/dbraw/zinc/63/97/99/387639799.db2.gz DINDTJAXMHNSHR-UHFFFAOYSA-N 1 2 238.287 0.650 20 0 BCADLO CC[C@H]1C[N@H+](CCNc2ncccn2)CCO1 ZINC000362652643 387646480 /nfs/dbraw/zinc/64/64/80/387646480.db2.gz AIGBTNMYBHJIDE-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@H]1C[N@@H+](CCNc2ncccn2)CCO1 ZINC000362652643 387646487 /nfs/dbraw/zinc/64/64/87/387646487.db2.gz AIGBTNMYBHJIDE-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO CCOCC[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000376531761 387648435 /nfs/dbraw/zinc/64/84/35/387648435.db2.gz HQYKBQLWUKTKNC-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000376531761 387648439 /nfs/dbraw/zinc/64/84/39/387648439.db2.gz HQYKBQLWUKTKNC-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO C[N@H+](Cc1cscn1)CC(C)(CO)CO ZINC000149150442 387649503 /nfs/dbraw/zinc/64/95/03/387649503.db2.gz IPGJSUCCBJMFLB-UHFFFAOYSA-N 1 2 230.333 0.566 20 0 BCADLO C[N@@H+](Cc1cscn1)CC(C)(CO)CO ZINC000149150442 387649505 /nfs/dbraw/zinc/64/95/05/387649505.db2.gz IPGJSUCCBJMFLB-UHFFFAOYSA-N 1 2 230.333 0.566 20 0 BCADLO Cn1nccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000043310996 387651379 /nfs/dbraw/zinc/65/13/79/387651379.db2.gz DSXAYONGFXZFHR-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305787830 387652148 /nfs/dbraw/zinc/65/21/48/387652148.db2.gz YWUPSRNKFUKXMX-RQJHMYQMSA-N 1 2 242.241 0.318 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305787830 387652149 /nfs/dbraw/zinc/65/21/49/387652149.db2.gz YWUPSRNKFUKXMX-RQJHMYQMSA-N 1 2 242.241 0.318 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362725112 387653331 /nfs/dbraw/zinc/65/33/31/387653331.db2.gz MYZIABQWUFJXAS-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362725112 387653337 /nfs/dbraw/zinc/65/33/37/387653337.db2.gz MYZIABQWUFJXAS-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO C[C@](O)(C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000362775315 387657291 /nfs/dbraw/zinc/65/72/91/387657291.db2.gz RSSOHYQCFWYDLF-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO CC(C)CC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000628712826 387659403 /nfs/dbraw/zinc/65/94/03/387659403.db2.gz VJJWNYUBLJYWDF-LLVKDONJSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)n1C ZINC000376740553 387667078 /nfs/dbraw/zinc/66/70/78/387667078.db2.gz WJDZDZYMNKMBBO-WDEREUQCSA-N 1 2 236.319 0.734 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H]3COC[C@H]32)n1C ZINC000376740553 387667082 /nfs/dbraw/zinc/66/70/82/387667082.db2.gz WJDZDZYMNKMBBO-WDEREUQCSA-N 1 2 236.319 0.734 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451892069 387672237 /nfs/dbraw/zinc/67/22/37/387672237.db2.gz NIXLDKNSISIXFW-PHIMTYICSA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451892069 387672244 /nfs/dbraw/zinc/67/22/44/387672244.db2.gz NIXLDKNSISIXFW-PHIMTYICSA-N 1 2 241.335 0.511 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356552680 387672908 /nfs/dbraw/zinc/67/29/08/387672908.db2.gz SHZVSLWOLJHWCI-GDPRMGEGSA-N 1 2 235.287 0.793 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440708368 387674392 /nfs/dbraw/zinc/67/43/92/387674392.db2.gz DFULUZHQTBCJBG-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440708368 387674393 /nfs/dbraw/zinc/67/43/93/387674393.db2.gz DFULUZHQTBCJBG-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000376827588 387674482 /nfs/dbraw/zinc/67/44/82/387674482.db2.gz JIUBLNXAXGNIDW-SECBINFHSA-N 1 2 247.298 0.715 20 0 BCADLO CC[C@H](F)C[N@H+](C)CC(=O)NC1CC1 ZINC000440707480 387674644 /nfs/dbraw/zinc/67/46/44/387674644.db2.gz YQWINRAHTABQLW-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](F)C[N@@H+](C)CC(=O)NC1CC1 ZINC000440707480 387674651 /nfs/dbraw/zinc/67/46/51/387674651.db2.gz YQWINRAHTABQLW-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CN(C)c1ncccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114336887 387675830 /nfs/dbraw/zinc/67/58/30/387675830.db2.gz MRCCHHCJVKHJBX-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915885 387677801 /nfs/dbraw/zinc/67/78/01/387677801.db2.gz VWKQVSPRMHSFRP-SVRRBLITSA-N 1 2 241.209 0.405 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915885 387677804 /nfs/dbraw/zinc/67/78/04/387677804.db2.gz VWKQVSPRMHSFRP-SVRRBLITSA-N 1 2 241.209 0.405 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000440710592 387677934 /nfs/dbraw/zinc/67/79/34/387677934.db2.gz LTZTYYOELGFZDQ-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000440710592 387677938 /nfs/dbraw/zinc/67/79/38/387677938.db2.gz LTZTYYOELGFZDQ-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376957910 387681987 /nfs/dbraw/zinc/68/19/87/387681987.db2.gz MJXOOQLNKLUAHO-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000440778935 387696477 /nfs/dbraw/zinc/69/64/77/387696477.db2.gz MBWBRUDXVWBVEA-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO C[C@@H](F)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356648773 387685533 /nfs/dbraw/zinc/68/55/33/387685533.db2.gz OUSAOULPLYXYKO-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000440778935 387696483 /nfs/dbraw/zinc/69/64/83/387696483.db2.gz MBWBRUDXVWBVEA-GUBZILKMSA-N 1 2 205.273 0.816 20 0 BCADLO CCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000363139069 387690860 /nfs/dbraw/zinc/69/08/60/387690860.db2.gz JTSTYRCDQQSTTE-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000363139069 387690864 /nfs/dbraw/zinc/69/08/64/387690864.db2.gz JTSTYRCDQQSTTE-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO Cn1ncc(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000367705324 387747550 /nfs/dbraw/zinc/74/75/50/387747550.db2.gz QHVWMDINBSAXHW-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO Cn1ncc(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000367705324 387747557 /nfs/dbraw/zinc/74/75/57/387747557.db2.gz QHVWMDINBSAXHW-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO CN(CCC(N)=O)c1cccc(-n2cc[nH+]c2)n1 ZINC000367815550 387756624 /nfs/dbraw/zinc/75/66/24/387756624.db2.gz PMHHOUUQDPVGTD-UHFFFAOYSA-N 1 2 245.286 0.579 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000440778936 387697383 /nfs/dbraw/zinc/69/73/83/387697383.db2.gz MBWBRUDXVWBVEA-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000440778936 387697385 /nfs/dbraw/zinc/69/73/85/387697385.db2.gz MBWBRUDXVWBVEA-KXUCPTDWSA-N 1 2 205.273 0.816 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@](C)(O)C1CC1)CC2 ZINC000367429996 387709798 /nfs/dbraw/zinc/70/97/98/387709798.db2.gz LRKSSTBHKCLMFV-CYBMUJFWSA-N 1 2 249.314 0.695 20 0 BCADLO CC[N@H+](Cc1cc(C)n(C)n1)[C@H]1CCNC1=O ZINC000440958537 387715103 /nfs/dbraw/zinc/71/51/03/387715103.db2.gz RFUWVFMWQGCAJZ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC[N@@H+](Cc1cc(C)n(C)n1)[C@H]1CCNC1=O ZINC000440958537 387715109 /nfs/dbraw/zinc/71/51/09/387715109.db2.gz RFUWVFMWQGCAJZ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CCCCNC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000440953475 387715361 /nfs/dbraw/zinc/71/53/61/387715361.db2.gz FJAGGDNSPQYKHK-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000440953475 387715369 /nfs/dbraw/zinc/71/53/69/387715369.db2.gz FJAGGDNSPQYKHK-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CS(=O)(=O)CC[NH+]1CC2(C1)CCCOC2 ZINC000367488313 387716858 /nfs/dbraw/zinc/71/68/58/387716858.db2.gz HBBIEOHBVJYKTH-UHFFFAOYSA-N 1 2 233.333 0.143 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000377405636 387717209 /nfs/dbraw/zinc/71/72/09/387717209.db2.gz YZTZPOPZMOWMFQ-WDEREUQCSA-N 1 2 207.277 0.436 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000377405636 387717213 /nfs/dbraw/zinc/71/72/13/387717213.db2.gz YZTZPOPZMOWMFQ-WDEREUQCSA-N 1 2 207.277 0.436 20 0 BCADLO O=C(CCC1CC1)NCC[NH+]1CCOCC1 ZINC000115315824 387719059 /nfs/dbraw/zinc/71/90/59/387719059.db2.gz FDGVKLPHNORRAZ-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000527804120 387728209 /nfs/dbraw/zinc/72/82/09/387728209.db2.gz MPXAWJZUPJJEKX-IBCQBUCCSA-N 1 2 225.296 0.112 20 0 BCADLO CO[C@@H](C)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377595780 387730639 /nfs/dbraw/zinc/73/06/39/387730639.db2.gz VFZIOMUBSVUOID-QMMMGPOBSA-N 1 2 240.307 0.725 20 0 BCADLO CN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000431896084 387737355 /nfs/dbraw/zinc/73/73/55/387737355.db2.gz KYKQXUOUWIAUIG-UHFFFAOYSA-N 1 2 211.265 0.138 20 0 BCADLO CCc1nc(C(C)(C)[NH2+]C[C@H](O)COC)no1 ZINC000441243052 387742266 /nfs/dbraw/zinc/74/22/66/387742266.db2.gz WBVSLJBACBFFCU-QMMMGPOBSA-N 1 2 243.307 0.464 20 0 BCADLO CNC(=O)CCN(C)c1[nH+]cccc1OC ZINC000527878928 387768793 /nfs/dbraw/zinc/76/87/93/387768793.db2.gz HOTSOEQGQZQWMK-UHFFFAOYSA-N 1 2 223.276 0.663 20 0 BCADLO CC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441632460 387774329 /nfs/dbraw/zinc/77/43/29/387774329.db2.gz GLSLNQHKNBAKMA-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441632460 387774330 /nfs/dbraw/zinc/77/43/30/387774330.db2.gz GLSLNQHKNBAKMA-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378318995 387776565 /nfs/dbraw/zinc/77/65/65/387776565.db2.gz VDVDBAMRTBCHHL-JTQLQIEISA-N 1 2 249.314 0.810 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378318995 387776568 /nfs/dbraw/zinc/77/65/68/387776568.db2.gz VDVDBAMRTBCHHL-JTQLQIEISA-N 1 2 249.314 0.810 20 0 BCADLO O=C1OC[C@@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000378345690 387778783 /nfs/dbraw/zinc/77/87/83/387778783.db2.gz MJQWWOUYFOYLIB-VIFPVBQESA-N 1 2 222.248 0.046 20 0 BCADLO O=C1OC[C@@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000378345690 387778786 /nfs/dbraw/zinc/77/87/86/387778786.db2.gz MJQWWOUYFOYLIB-VIFPVBQESA-N 1 2 222.248 0.046 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCC[C@H]2CO)n1C ZINC000048346864 387781304 /nfs/dbraw/zinc/78/13/04/387781304.db2.gz BCDTVHBJJRKNGV-JTQLQIEISA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@H+]2CCCC[C@H]2CO)n1C ZINC000048346864 387781312 /nfs/dbraw/zinc/78/13/12/387781312.db2.gz BCDTVHBJJRKNGV-JTQLQIEISA-N 1 2 224.308 0.470 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCC(C)=O ZINC000378487681 387786826 /nfs/dbraw/zinc/78/68/26/387786826.db2.gz JEOJIBKMZWSUDZ-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCC(C)=O ZINC000378487681 387786830 /nfs/dbraw/zinc/78/68/30/387786830.db2.gz JEOJIBKMZWSUDZ-WDEREUQCSA-N 1 2 243.303 0.618 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCC1CC(O)C1 ZINC000432434046 387790441 /nfs/dbraw/zinc/79/04/41/387790441.db2.gz XMRUNILYDMTDEJ-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1n[nH]cc1C[NH+]1CC(n2ccnn2)C1 ZINC000359992625 387792628 /nfs/dbraw/zinc/79/26/28/387792628.db2.gz HYYQGNDGCSIUQI-UHFFFAOYSA-N 1 2 218.264 0.367 20 0 BCADLO COc1ncccc1C[NH2+]C1(C(N)=O)CC1 ZINC000193540636 387793710 /nfs/dbraw/zinc/79/37/10/387793710.db2.gz XHZPPKUXJLUIMA-UHFFFAOYSA-N 1 2 221.260 0.198 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccnn1 ZINC000527986044 387802516 /nfs/dbraw/zinc/80/25/16/387802516.db2.gz PEARMPBREVVSBL-SECBINFHSA-N 1 2 231.259 0.492 20 0 BCADLO CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000013946811 387803640 /nfs/dbraw/zinc/80/36/40/387803640.db2.gz BBOAETFISAEZDE-UHFFFAOYSA-N 1 2 220.338 0.364 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@]2(CNC(=O)C2)C1 ZINC000527989225 387803804 /nfs/dbraw/zinc/80/38/04/387803804.db2.gz AOUTYYFVNJTACE-CYBMUJFWSA-N 1 2 247.298 0.807 20 0 BCADLO Cn1ccc(C[NH2+]Cc2ncccc2O)n1 ZINC000309477866 387805183 /nfs/dbraw/zinc/80/51/83/387805183.db2.gz CMURZLZOWXAXJW-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO C[C@H](O)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000432635855 387806830 /nfs/dbraw/zinc/80/68/30/387806830.db2.gz QJJFLEBKZVTNNQ-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000194829323 387808352 /nfs/dbraw/zinc/80/83/52/387808352.db2.gz CPTQOQMFBQPURW-BBBLOLIVSA-N 1 2 213.277 0.707 20 0 BCADLO c1cn2c([nH+]1)CN(Cc1cocn1)CC2 ZINC000432750896 387811091 /nfs/dbraw/zinc/81/10/91/387811091.db2.gz PMNQBHGATOQTMQ-UHFFFAOYSA-N 1 2 204.233 0.887 20 0 BCADLO CC[C@](C)(OC)C(=O)NCC[NH+]1CCOCC1 ZINC000170229317 387820324 /nfs/dbraw/zinc/82/03/24/387820324.db2.gz HGQDHEYLBJCKBH-LBPRGKRZSA-N 1 2 244.335 0.250 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000432793913 387821740 /nfs/dbraw/zinc/82/17/40/387821740.db2.gz RCWDEATUVGLOCJ-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000432793913 387821744 /nfs/dbraw/zinc/82/17/44/387821744.db2.gz RCWDEATUVGLOCJ-UWVGGRQHSA-N 1 2 224.308 0.672 20 0 BCADLO Cn1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)nn1 ZINC000564081549 387823102 /nfs/dbraw/zinc/82/31/02/387823102.db2.gz YRIZLBMBXYVSRY-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1cc(C[N@H+]2CCOC[C@H]2C2CCC2)nn1 ZINC000564081549 387823108 /nfs/dbraw/zinc/82/31/08/387823108.db2.gz YRIZLBMBXYVSRY-LBPRGKRZSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000432793916 387823392 /nfs/dbraw/zinc/82/33/92/387823392.db2.gz RCWDEATUVGLOCJ-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000432793916 387823398 /nfs/dbraw/zinc/82/33/98/387823398.db2.gz RCWDEATUVGLOCJ-ZJUUUORDSA-N 1 2 224.308 0.672 20 0 BCADLO COCC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528068256 387840696 /nfs/dbraw/zinc/84/06/96/387840696.db2.gz PXJHAJTYEYHANI-UHFFFAOYSA-N 1 2 223.276 0.945 20 0 BCADLO COCC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528068256 387840701 /nfs/dbraw/zinc/84/07/01/387840701.db2.gz PXJHAJTYEYHANI-UHFFFAOYSA-N 1 2 223.276 0.945 20 0 BCADLO CC[C@@H](NC(=O)Cc1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000442797487 387844458 /nfs/dbraw/zinc/84/44/58/387844458.db2.gz IHKZTUOFSPWWCM-SNVBAGLBSA-N 1 2 247.302 0.953 20 0 BCADLO CCOCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424162377 387844445 /nfs/dbraw/zinc/84/44/45/387844445.db2.gz CQOHQFCKTGWMGU-MRVPVSSYSA-N 1 2 236.262 0.384 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1nccn(C)c1=O ZINC000061752044 387845535 /nfs/dbraw/zinc/84/55/35/387845535.db2.gz FPLDBNKOYIGZBP-SECBINFHSA-N 1 2 233.275 0.477 20 0 BCADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC000582579852 387850747 /nfs/dbraw/zinc/85/07/47/387850747.db2.gz RDBOHNFIGDTFHO-WDEREUQCSA-N 1 2 237.303 0.767 20 0 BCADLO C[C@H]1CC[S@@](=O)CCN1Cc1c[nH+]cn1C ZINC000433028019 387852553 /nfs/dbraw/zinc/85/25/53/387852553.db2.gz AXKMNOFRTINZAT-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000151555863 387853262 /nfs/dbraw/zinc/85/32/62/387853262.db2.gz VWLVSETVIYDALK-DTWKUNHWSA-N 1 2 220.276 0.851 20 0 BCADLO C[C@H]1CC[S@@](=O)CCN1Cc1[nH+]ccn1C ZINC000433029501 387854101 /nfs/dbraw/zinc/85/41/01/387854101.db2.gz SGKIHZJBIOVLIU-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193727412 387862557 /nfs/dbraw/zinc/86/25/57/387862557.db2.gz LTKPJEIWWHMFIH-GFCCVEGCSA-N 1 2 227.304 0.847 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000193727412 387862561 /nfs/dbraw/zinc/86/25/61/387862561.db2.gz LTKPJEIWWHMFIH-GFCCVEGCSA-N 1 2 227.304 0.847 20 0 BCADLO CS(=O)(=O)N1CC[NH+](CC2=CCCC2)CC1 ZINC000645765389 387889517 /nfs/dbraw/zinc/88/95/17/387889517.db2.gz YEUSXMBMFZXKHT-UHFFFAOYSA-N 1 2 244.360 0.674 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000444658308 387900614 /nfs/dbraw/zinc/90/06/14/387900614.db2.gz NDHKXVDMMHXSOG-NSHDSACASA-N 1 2 241.335 0.639 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000444658308 387900619 /nfs/dbraw/zinc/90/06/19/387900619.db2.gz NDHKXVDMMHXSOG-NSHDSACASA-N 1 2 241.335 0.639 20 0 BCADLO Cn1nnc(C[NH2+]C[C@@H](O)C2CCCCC2)n1 ZINC000648443532 387909159 /nfs/dbraw/zinc/90/91/59/387909159.db2.gz PAYQWXIUXJSNFF-SNVBAGLBSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC1(F)F ZINC000448711668 387909902 /nfs/dbraw/zinc/90/99/02/387909902.db2.gz WSUSLSAJVKEMFW-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO OC[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000168586367 387912427 /nfs/dbraw/zinc/91/24/27/387912427.db2.gz OEWDUKDDVDOHLS-RYUDHWBXSA-N 1 2 245.319 0.223 20 0 BCADLO OC[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000168586367 387912433 /nfs/dbraw/zinc/91/24/33/387912433.db2.gz OEWDUKDDVDOHLS-RYUDHWBXSA-N 1 2 245.319 0.223 20 0 BCADLO COc1ccnc(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000424189604 387913258 /nfs/dbraw/zinc/91/32/58/387913258.db2.gz MTGFZKUSOKHBNY-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727506 387916268 /nfs/dbraw/zinc/91/62/68/387916268.db2.gz KIYHDNVKJDPISN-HTRCEHHLSA-N 1 2 240.225 0.107 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727506 387916274 /nfs/dbraw/zinc/91/62/74/387916274.db2.gz KIYHDNVKJDPISN-HTRCEHHLSA-N 1 2 240.225 0.107 20 0 BCADLO COCCCN(CCO)c1cc[nH+]c(C)n1 ZINC000445605410 387952067 /nfs/dbraw/zinc/95/20/67/387952067.db2.gz SVVVNSWDXVPAGW-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO C[C@H](CCCO)NC(=O)NCCn1cc[nH+]c1 ZINC000445594242 387952278 /nfs/dbraw/zinc/95/22/78/387952278.db2.gz RNZVWQQXQPFWNR-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000438555993 387943816 /nfs/dbraw/zinc/94/38/16/387943816.db2.gz UNZDSOIPFKTQKB-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000438555993 387943819 /nfs/dbraw/zinc/94/38/19/387943819.db2.gz UNZDSOIPFKTQKB-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)C ZINC000645803748 387948798 /nfs/dbraw/zinc/94/87/98/387948798.db2.gz AHSRFRGZCGIMJP-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)C ZINC000645803748 387948800 /nfs/dbraw/zinc/94/88/00/387948800.db2.gz AHSRFRGZCGIMJP-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCc2ncsc2C1 ZINC000445839976 387972195 /nfs/dbraw/zinc/97/21/95/387972195.db2.gz NBNWPMRBHVEALL-QMMMGPOBSA-N 1 2 223.301 0.390 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCc2ncsc2C1 ZINC000445839976 387972199 /nfs/dbraw/zinc/97/21/99/387972199.db2.gz NBNWPMRBHVEALL-QMMMGPOBSA-N 1 2 223.301 0.390 20 0 BCADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCCNC1=O ZINC000445904612 387979020 /nfs/dbraw/zinc/97/90/20/387979020.db2.gz RWQWMFSIGKGPDX-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCCNC1=O ZINC000445904612 387979024 /nfs/dbraw/zinc/97/90/24/387979024.db2.gz RWQWMFSIGKGPDX-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO CC(=O)c1ccc(C(=O)NCC[NH+]2CCC2)o1 ZINC000446226537 388008052 /nfs/dbraw/zinc/00/80/52/388008052.db2.gz MMSXLEFVSODGMT-UHFFFAOYSA-N 1 2 236.271 0.918 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cn1 ZINC000246100800 388009482 /nfs/dbraw/zinc/00/94/82/388009482.db2.gz JFUPFQVOJXJRQG-OLZOCXBDSA-N 1 2 249.314 0.856 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cn1 ZINC000246100800 388009488 /nfs/dbraw/zinc/00/94/88/388009488.db2.gz JFUPFQVOJXJRQG-OLZOCXBDSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H](C(=O)NCCCF)[NH+]1CCN(C)CC1 ZINC000533185001 388013451 /nfs/dbraw/zinc/01/34/51/388013451.db2.gz KYBPXBVXQLILCP-JTQLQIEISA-N 1 2 231.315 0.098 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](COC)C1CC1 ZINC000087478922 135143951 /nfs/dbraw/zinc/14/39/51/135143951.db2.gz LWZTWTOSBSDYDU-VIFPVBQESA-N 1 2 201.266 0.564 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944157 388043081 /nfs/dbraw/zinc/04/30/81/388043081.db2.gz DVFPUERBRIUESX-IEBDPFPHSA-N 1 2 227.304 0.953 20 0 BCADLO CCOC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000439977842 388026754 /nfs/dbraw/zinc/02/67/54/388026754.db2.gz OCSPAZWKZDYFDH-SECBINFHSA-N 1 2 243.307 0.600 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000440530050 388052490 /nfs/dbraw/zinc/05/24/90/388052490.db2.gz ZLGLDERTIOSAQD-GHMZBOCLSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000440530050 388052492 /nfs/dbraw/zinc/05/24/92/388052492.db2.gz ZLGLDERTIOSAQD-GHMZBOCLSA-N 1 2 218.316 0.733 20 0 BCADLO OCC[NH+]1CCN(CC[C@H]2CCCO2)CC1 ZINC000083530541 388055771 /nfs/dbraw/zinc/05/57/71/388055771.db2.gz IIOQPXFTHWWLKA-GFCCVEGCSA-N 1 2 228.336 0.165 20 0 BCADLO CCCn1ncnc1C[N@H+](CCO)C1CC1 ZINC000083995449 388068109 /nfs/dbraw/zinc/06/81/09/388068109.db2.gz NDXHLZPEUFICFY-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@@H+](CCO)C1CC1 ZINC000083995449 388068110 /nfs/dbraw/zinc/06/81/10/388068110.db2.gz NDXHLZPEUFICFY-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@@H](CO)O1 ZINC000230009416 388070082 /nfs/dbraw/zinc/07/00/82/388070082.db2.gz PGGLEWPUUXXOND-UWVGGRQHSA-N 1 2 225.292 0.002 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cscn1 ZINC000084081284 388070413 /nfs/dbraw/zinc/07/04/13/388070413.db2.gz NCYVXTDXXPGNNU-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cscn1 ZINC000084081284 388070416 /nfs/dbraw/zinc/07/04/16/388070416.db2.gz NCYVXTDXXPGNNU-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO COC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440700659 388070674 /nfs/dbraw/zinc/07/06/74/388070674.db2.gz GOSDEVDROJSRSE-UHFFFAOYSA-N 1 2 242.298 0.858 20 0 BCADLO CC[C@](C)(CNc1nc(C)[nH+]c(N)n1)OC ZINC000322890136 388078921 /nfs/dbraw/zinc/07/89/21/388078921.db2.gz XVGLMOIIMJSWPD-SNVBAGLBSA-N 1 2 225.296 0.989 20 0 BCADLO CC[C@](C)(CNc1nc(N)nc(C)[nH+]1)OC ZINC000322890136 388078923 /nfs/dbraw/zinc/07/89/23/388078923.db2.gz XVGLMOIIMJSWPD-SNVBAGLBSA-N 1 2 225.296 0.989 20 0 BCADLO C=Cn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000447729060 388088908 /nfs/dbraw/zinc/08/89/08/388088908.db2.gz NANXSHMGZRQGLG-SNVBAGLBSA-N 1 2 220.276 0.304 20 0 BCADLO C=Cn1cc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000447729060 388088910 /nfs/dbraw/zinc/08/89/10/388088910.db2.gz NANXSHMGZRQGLG-SNVBAGLBSA-N 1 2 220.276 0.304 20 0 BCADLO CC[C@H]([NH2+]CCc1ncc(C)cn1)C(=O)OC ZINC000447798449 388094443 /nfs/dbraw/zinc/09/44/43/388094443.db2.gz WSYKDJAHWARAMN-JTQLQIEISA-N 1 2 237.303 0.869 20 0 BCADLO CC(C)n1nnnc1C[NH+]1CCC(CO)CC1 ZINC000195079791 388096438 /nfs/dbraw/zinc/09/64/38/388096438.db2.gz LWJJQHSHBQGHGU-UHFFFAOYSA-N 1 2 239.323 0.458 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447916821 388103705 /nfs/dbraw/zinc/10/37/05/388103705.db2.gz PRYNYTCSEYFCTG-HBNTYKKESA-N 1 2 245.319 0.458 20 0 BCADLO CO[C@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000163942178 388106044 /nfs/dbraw/zinc/10/60/44/388106044.db2.gz FWLUZCFPENWOQS-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000440495028 388045753 /nfs/dbraw/zinc/04/57/53/388045753.db2.gz KQLYTSDRDSDLJB-IVZWLZJFSA-N 1 2 233.283 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000440495028 388045756 /nfs/dbraw/zinc/04/57/56/388045756.db2.gz KQLYTSDRDSDLJB-IVZWLZJFSA-N 1 2 233.283 0.733 20 0 BCADLO CSC[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000488559814 388187991 /nfs/dbraw/zinc/18/79/91/388187991.db2.gz IZAWYVVQKZSJHQ-ZETCQYMHSA-N 1 2 241.303 0.676 20 0 BCADLO O=C(COCC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259622 388171415 /nfs/dbraw/zinc/17/14/15/388171415.db2.gz OYRWKZJCCXCUFX-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO O=C(COCC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259622 388171416 /nfs/dbraw/zinc/17/14/16/388171416.db2.gz OYRWKZJCCXCUFX-UHFFFAOYSA-N 1 2 235.287 0.721 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449339029 388176296 /nfs/dbraw/zinc/17/62/96/388176296.db2.gz IMWRBTGRQRKVKM-SNVBAGLBSA-N 1 2 238.291 0.435 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449339029 388176297 /nfs/dbraw/zinc/17/62/97/388176297.db2.gz IMWRBTGRQRKVKM-SNVBAGLBSA-N 1 2 238.291 0.435 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000454443404 388118171 /nfs/dbraw/zinc/11/81/71/388118171.db2.gz RHCAUGJCTRICAU-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000454443404 388118172 /nfs/dbraw/zinc/11/81/72/388118172.db2.gz RHCAUGJCTRICAU-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC1(F)F ZINC000448906019 388119373 /nfs/dbraw/zinc/11/93/73/388119373.db2.gz DQUPCXCDLYRDJM-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC1(F)F ZINC000448906019 388119375 /nfs/dbraw/zinc/11/93/75/388119375.db2.gz DQUPCXCDLYRDJM-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO Cc1nc(=NC(=O)[C@@H]2[NH2+]CC2(C)C)s[nH]1 ZINC000646114068 388144807 /nfs/dbraw/zinc/14/48/07/388144807.db2.gz RPBGAGRMWCUZHM-LURJTMIESA-N 1 2 226.305 0.205 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1CCCn1cc[nH+]c1 ZINC000646127230 388149026 /nfs/dbraw/zinc/14/90/26/388149026.db2.gz YDDDWOSLMSNENK-SNVBAGLBSA-N 1 2 222.292 0.393 20 0 BCADLO C[C@H]1COCCN1CC[NH+]1CCOCC1 ZINC000195233886 388149688 /nfs/dbraw/zinc/14/96/88/388149688.db2.gz GWCHVCTWFIHDOS-NSHDSACASA-N 1 2 214.309 0.039 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NC1CCC1 ZINC000641529170 388150886 /nfs/dbraw/zinc/15/08/86/388150886.db2.gz YYDKFPRUUFZXCD-UHFFFAOYSA-N 1 2 229.305 0.355 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CC=CC1 ZINC000641531803 388151374 /nfs/dbraw/zinc/15/13/74/388151374.db2.gz CRTLPQPZGMUHGH-UHFFFAOYSA-N 1 2 227.289 0.085 20 0 BCADLO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000164896897 388249489 /nfs/dbraw/zinc/24/94/89/388249489.db2.gz LPKOENAQUGNCCT-IUCAKERBSA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449472701 388213083 /nfs/dbraw/zinc/21/30/83/388213083.db2.gz QJGYJQPQNYOZAW-SECBINFHSA-N 1 2 223.219 0.251 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449472701 388213084 /nfs/dbraw/zinc/21/30/84/388213084.db2.gz QJGYJQPQNYOZAW-SECBINFHSA-N 1 2 223.219 0.251 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000449525236 388224296 /nfs/dbraw/zinc/22/42/96/388224296.db2.gz QWSMXECSFIFKMF-SECBINFHSA-N 1 2 235.287 0.416 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000449525236 388224298 /nfs/dbraw/zinc/22/42/98/388224298.db2.gz QWSMXECSFIFKMF-SECBINFHSA-N 1 2 235.287 0.416 20 0 BCADLO CC[NH+]1CCN(C(=O)CSCC(C)=O)CC1 ZINC000490464740 388239286 /nfs/dbraw/zinc/23/92/86/388239286.db2.gz PRUTUOHDGUJNGR-UHFFFAOYSA-N 1 2 244.360 0.473 20 0 BCADLO CNC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451606003 388283498 /nfs/dbraw/zinc/28/34/98/388283498.db2.gz NNHSSOZUORGTSL-NSHDSACASA-N 1 2 244.335 0.688 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639297 388286921 /nfs/dbraw/zinc/28/69/21/388286921.db2.gz HPBKWBYERYNJTR-MNOVXSKESA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639297 388286923 /nfs/dbraw/zinc/28/69/23/388286923.db2.gz HPBKWBYERYNJTR-MNOVXSKESA-N 1 2 228.336 0.604 20 0 BCADLO C[C@H]1C[N@H+](CCOC2CCC2)CC(=O)N1 ZINC000451640489 388286945 /nfs/dbraw/zinc/28/69/45/388286945.db2.gz LRVZQGBRRBQQRR-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@@H+](CCOC2CCC2)CC(=O)N1 ZINC000451640489 388286947 /nfs/dbraw/zinc/28/69/47/388286947.db2.gz LRVZQGBRRBQQRR-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451828762 388298777 /nfs/dbraw/zinc/29/87/77/388298777.db2.gz HZSOPQCNXJCSLG-DTWKUNHWSA-N 1 2 225.279 0.951 20 0 BCADLO CC(C)[C@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451828762 388298778 /nfs/dbraw/zinc/29/87/78/388298778.db2.gz HZSOPQCNXJCSLG-DTWKUNHWSA-N 1 2 225.279 0.951 20 0 BCADLO CO[C@H](C)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451833915 388299677 /nfs/dbraw/zinc/29/96/77/388299677.db2.gz NBICNDPLTGJZDB-HTQZYQBOSA-N 1 2 211.252 0.969 20 0 BCADLO CO[C@H](C)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451833915 388299678 /nfs/dbraw/zinc/29/96/78/388299678.db2.gz NBICNDPLTGJZDB-HTQZYQBOSA-N 1 2 211.252 0.969 20 0 BCADLO COCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451849719 388300302 /nfs/dbraw/zinc/30/03/02/388300302.db2.gz JTTAGKDIADFMRU-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO COCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451849719 388300304 /nfs/dbraw/zinc/30/03/04/388300304.db2.gz JTTAGKDIADFMRU-QMMMGPOBSA-N 1 2 211.252 0.971 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491520357 388300740 /nfs/dbraw/zinc/30/07/40/388300740.db2.gz MYVJKEFFGJSLTR-KANVGOIPSA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491520357 388300742 /nfs/dbraw/zinc/30/07/42/388300742.db2.gz MYVJKEFFGJSLTR-KANVGOIPSA-N 1 2 238.331 0.956 20 0 BCADLO Cn1cc[nH+]c1C[S@](=O)C[C@@H]1CCCO1 ZINC000491558583 388304014 /nfs/dbraw/zinc/30/40/14/388304014.db2.gz GJLQOFHQSSJXOO-BJOHPYRUSA-N 1 2 228.317 0.848 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H](O)C[C@@H]1C ZINC000492039611 388332295 /nfs/dbraw/zinc/33/22/95/388332295.db2.gz IDJABAUUZAAYJP-BXXZLRJFSA-N 1 2 249.314 0.898 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000491790949 388321326 /nfs/dbraw/zinc/32/13/26/388321326.db2.gz BRCJYJWYDOCGNS-LZOHWIEYSA-N 1 2 237.347 0.481 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000491790949 388321327 /nfs/dbraw/zinc/32/13/27/388321327.db2.gz BRCJYJWYDOCGNS-LZOHWIEYSA-N 1 2 237.347 0.481 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491876323 388325933 /nfs/dbraw/zinc/32/59/33/388325933.db2.gz YPSGUYQQUOKQFJ-MRVPVSSYSA-N 1 2 208.265 0.469 20 0 BCADLO CC1(S(=O)(=O)NCC[NH+]2CCC2)CC1 ZINC000451346119 388264219 /nfs/dbraw/zinc/26/42/19/388264219.db2.gz MJRGSSHTFOABML-UHFFFAOYSA-N 1 2 218.322 0.164 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451442275 388274218 /nfs/dbraw/zinc/27/42/18/388274218.db2.gz VDHMGUVWJCOMGE-MUWHJKNJSA-N 1 2 223.219 0.250 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451442275 388274220 /nfs/dbraw/zinc/27/42/20/388274220.db2.gz VDHMGUVWJCOMGE-MUWHJKNJSA-N 1 2 223.219 0.250 20 0 BCADLO Cn1nccc1/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000491168770 388274504 /nfs/dbraw/zinc/27/45/04/388274504.db2.gz TXJXFRDTRHZHAI-IHWYPQMZSA-N 1 2 245.286 0.446 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000451453380 388274527 /nfs/dbraw/zinc/27/45/27/388274527.db2.gz IGPPIACPFMETJY-RKDXNWHRSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000451453380 388274529 /nfs/dbraw/zinc/27/45/29/388274529.db2.gz IGPPIACPFMETJY-RKDXNWHRSA-N 1 2 240.307 0.481 20 0 BCADLO CC[C@H](CO)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492380993 388343119 /nfs/dbraw/zinc/34/31/19/388343119.db2.gz RSYWLIWWKKLMNN-BRAIEQGRSA-N 1 2 237.303 0.803 20 0 BCADLO COc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000646365894 388345963 /nfs/dbraw/zinc/34/59/63/388345963.db2.gz XBDKAKGDWRUBFD-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CO1 ZINC000162240364 388348179 /nfs/dbraw/zinc/34/81/79/388348179.db2.gz YMGNKECIXGORCA-HTQZYQBOSA-N 1 2 209.249 0.451 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230268225 388364904 /nfs/dbraw/zinc/36/49/04/388364904.db2.gz UVPSYLZKKXSCIR-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230268225 388364907 /nfs/dbraw/zinc/36/49/07/388364907.db2.gz UVPSYLZKKXSCIR-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CC[NH+]1CCN(c2ncnc(N)c2Cl)CC1 ZINC000227840438 388371935 /nfs/dbraw/zinc/37/19/35/388371935.db2.gz GYUJUBQWYIGPKI-UHFFFAOYSA-N 1 2 241.726 0.854 20 0 BCADLO Cn1cncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000236077364 388377107 /nfs/dbraw/zinc/37/71/07/388377107.db2.gz NQNKLVOMMBRTDO-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1cncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000236077364 388377109 /nfs/dbraw/zinc/37/71/09/388377109.db2.gz NQNKLVOMMBRTDO-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO CCn1c[nH+]cc1CN1CC(NC(=O)C2CC2)C1 ZINC000572825082 388378725 /nfs/dbraw/zinc/37/87/25/388378725.db2.gz MODUSZPSZNANOV-UHFFFAOYSA-N 1 2 248.330 0.613 20 0 BCADLO Nc1[nH+]cnc(NC[C@@H](O)C(F)F)c1Cl ZINC000236361268 388379391 /nfs/dbraw/zinc/37/93/91/388379391.db2.gz TZPHFBRWUYTJPN-GSVOUGTGSA-N 1 2 238.625 0.750 20 0 BCADLO Nc1nc[nH+]c(NC[C@@H](O)C(F)F)c1Cl ZINC000236361268 388379394 /nfs/dbraw/zinc/37/93/94/388379394.db2.gz TZPHFBRWUYTJPN-GSVOUGTGSA-N 1 2 238.625 0.750 20 0 BCADLO CCOCCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000236934772 388386522 /nfs/dbraw/zinc/38/65/22/388386522.db2.gz FLQFEJBXTMCPHC-MNOVXSKESA-N 1 2 246.351 0.400 20 0 BCADLO CCO[C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236912250 388386928 /nfs/dbraw/zinc/38/69/28/388386928.db2.gz FQTZFYIPPWYWOY-RKDXNWHRSA-N 1 2 200.282 0.280 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229579383 388393809 /nfs/dbraw/zinc/39/38/09/388393809.db2.gz QNXFNEZCIUACEQ-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229579383 388393811 /nfs/dbraw/zinc/39/38/11/388393811.db2.gz QNXFNEZCIUACEQ-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cnccn1 ZINC000492085987 388334187 /nfs/dbraw/zinc/33/41/87/388334187.db2.gz MWPYDLFICCEUOD-IHWYPQMZSA-N 1 2 243.270 0.838 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(=O)OC ZINC000492265017 388339952 /nfs/dbraw/zinc/33/99/52/388339952.db2.gz YHRGRQCYWIIDST-SNAWJCMRSA-N 1 2 237.259 0.205 20 0 BCADLO CCCC[C@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OC ZINC000322631706 388442188 /nfs/dbraw/zinc/44/21/88/388442188.db2.gz RGJFUJNXLYDFOI-ZJUUUORDSA-N 1 2 244.335 0.832 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000330363514 388443189 /nfs/dbraw/zinc/44/31/89/388443189.db2.gz IQIFPUGPGYTIED-SCZZXKLOSA-N 1 2 201.266 0.300 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000330527332 388443737 /nfs/dbraw/zinc/44/37/37/388443737.db2.gz DSEWLBPPSRWGBZ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000330527332 388443740 /nfs/dbraw/zinc/44/37/40/388443740.db2.gz DSEWLBPPSRWGBZ-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308606891 388445091 /nfs/dbraw/zinc/44/50/91/388445091.db2.gz NRPDQPZJDACOGV-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000646735396 388447716 /nfs/dbraw/zinc/44/77/16/388447716.db2.gz YPRDTFIUAHUFSJ-ADEWGFFLSA-N 1 2 247.298 0.445 20 0 BCADLO CC1(O)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000177297900 388480722 /nfs/dbraw/zinc/48/07/22/388480722.db2.gz PSZMFCMHZNJLCP-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@H]2C[C@H]21 ZINC000646738893 388449575 /nfs/dbraw/zinc/44/95/75/388449575.db2.gz FXIMSTOYKVIPIH-MXWKQRLJSA-N 1 2 247.298 0.445 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000528369295 388451405 /nfs/dbraw/zinc/45/14/05/388451405.db2.gz YJHNEPBFZUKALX-RUIVOMMDSA-N 1 2 218.684 0.315 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000528369295 388451407 /nfs/dbraw/zinc/45/14/07/388451407.db2.gz YJHNEPBFZUKALX-RUIVOMMDSA-N 1 2 218.684 0.315 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000649201491 388458139 /nfs/dbraw/zinc/45/81/39/388458139.db2.gz RWVKGCXRPAPDFA-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO Cn1c(C[N@H+](CCO)C2CC2)nnc1C1CC1 ZINC000195079807 388459818 /nfs/dbraw/zinc/45/98/18/388459818.db2.gz SYVDMVGXIQVHRQ-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@@H+](CCO)C2CC2)nnc1C1CC1 ZINC000195079807 388459821 /nfs/dbraw/zinc/45/98/21/388459821.db2.gz SYVDMVGXIQVHRQ-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO CCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916976 388461938 /nfs/dbraw/zinc/46/19/38/388461938.db2.gz ROSZLFQBABXSRL-UHFFFAOYSA-N 1 2 228.336 0.967 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCO[C@H]2C[C@H]21 ZINC000649224663 388462233 /nfs/dbraw/zinc/46/22/33/388462233.db2.gz CCHANIMNKHYOLJ-JLLWLGSASA-N 1 2 247.298 0.445 20 0 BCADLO CC(C)(C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000074921347 388462254 /nfs/dbraw/zinc/46/22/54/388462254.db2.gz UITLEPVCHYQJJL-UHFFFAOYSA-N 1 2 243.351 0.664 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nncn1C ZINC000336713554 388467042 /nfs/dbraw/zinc/46/70/42/388467042.db2.gz VOOBYFOMNDLRQC-VIFPVBQESA-N 1 2 212.297 0.264 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nncn1C ZINC000336713554 388467044 /nfs/dbraw/zinc/46/70/44/388467044.db2.gz VOOBYFOMNDLRQC-VIFPVBQESA-N 1 2 212.297 0.264 20 0 BCADLO CCC[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000336730404 388470174 /nfs/dbraw/zinc/47/01/74/388470174.db2.gz IHDONNSEYVTIBD-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000075701166 388470380 /nfs/dbraw/zinc/47/03/80/388470380.db2.gz XTWILEXHPYHQKO-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000075701166 388470382 /nfs/dbraw/zinc/47/03/82/388470382.db2.gz XTWILEXHPYHQKO-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@](C)([NH2+]Cc1ncc(C)cn1)C(N)=O ZINC000336732410 388471488 /nfs/dbraw/zinc/47/14/88/388471488.db2.gz JLPVORCMCLGISM-NSHDSACASA-N 1 2 222.292 0.529 20 0 BCADLO C[C@@H]1[C@@H](CO)CCN1c1[nH+]cnc2c1cnn2C ZINC000337935880 388474909 /nfs/dbraw/zinc/47/49/09/388474909.db2.gz VWJBAHICXDVHKC-RKDXNWHRSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@H]1[C@H](CO)CCN1c1[nH+]cnc2c1cnn2C ZINC000337935879 388475134 /nfs/dbraw/zinc/47/51/34/388475134.db2.gz VWJBAHICXDVHKC-IUCAKERBSA-N 1 2 247.302 0.570 20 0 BCADLO CC1=C[C@H](C)C[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000573060936 388414560 /nfs/dbraw/zinc/41/45/60/388414560.db2.gz BYMABWUCSVCDIE-ZETCQYMHSA-N 1 2 208.265 0.908 20 0 BCADLO CC1=C[C@H](C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000573060936 388414561 /nfs/dbraw/zinc/41/45/61/388414561.db2.gz BYMABWUCSVCDIE-ZETCQYMHSA-N 1 2 208.265 0.908 20 0 BCADLO CC(=O)CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000573108744 388420782 /nfs/dbraw/zinc/42/07/82/388420782.db2.gz HTKXYDFTQFDWIT-NSHDSACASA-N 1 2 242.319 0.193 20 0 BCADLO CC(=O)CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000573108744 388420785 /nfs/dbraw/zinc/42/07/85/388420785.db2.gz HTKXYDFTQFDWIT-NSHDSACASA-N 1 2 242.319 0.193 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245550999 388423550 /nfs/dbraw/zinc/42/35/50/388423550.db2.gz PFCKVPYPOBIBFL-WDEREUQCSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245550999 388423552 /nfs/dbraw/zinc/42/35/52/388423552.db2.gz PFCKVPYPOBIBFL-WDEREUQCSA-N 1 2 238.335 0.798 20 0 BCADLO Cc1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000166398468 388426290 /nfs/dbraw/zinc/42/62/90/388426290.db2.gz OPCZDRHODWEXAQ-SFYZADRCSA-N 1 2 211.265 0.627 20 0 BCADLO C[C@H](C(=O)Nc1nn[nH]n1)[NH+]1CCCCCC1 ZINC000175487919 388432802 /nfs/dbraw/zinc/43/28/02/388432802.db2.gz CFHUOFXIIYBZCU-MRVPVSSYSA-N 1 2 238.295 0.403 20 0 BCADLO CO[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)C ZINC000548431962 388538470 /nfs/dbraw/zinc/53/84/70/388538470.db2.gz OWATZDVUHPBZOJ-NSHDSACASA-N 1 2 237.303 0.937 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@H]2O)cs1 ZINC000352795725 388539002 /nfs/dbraw/zinc/53/90/02/388539002.db2.gz DUOYOUSOLZCCJM-VHSXEESVSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@H]2O)cs1 ZINC000352795725 388539005 /nfs/dbraw/zinc/53/90/05/388539005.db2.gz DUOYOUSOLZCCJM-VHSXEESVSA-N 1 2 228.317 0.643 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccncc1C ZINC000528514234 388540291 /nfs/dbraw/zinc/54/02/91/388540291.db2.gz WWPDJBOIMQUQMU-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccncc1C ZINC000528514234 388540292 /nfs/dbraw/zinc/54/02/92/388540292.db2.gz WWPDJBOIMQUQMU-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO CCOCCCNC(=O)Cc1c[nH+]cn1C ZINC000548519951 388545833 /nfs/dbraw/zinc/54/58/33/388545833.db2.gz IQMWNUAKCSUPHZ-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO O=C(COCC(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000528568393 388547543 /nfs/dbraw/zinc/54/75/43/388547543.db2.gz LHCGKKBONJXXCV-UHFFFAOYSA-N 1 2 245.229 0.548 20 0 BCADLO COC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000177408435 388482518 /nfs/dbraw/zinc/48/25/18/388482518.db2.gz XCBSDCFFCNQYAD-UHFFFAOYSA-N 1 2 246.307 0.616 20 0 BCADLO COC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000177408435 388482520 /nfs/dbraw/zinc/48/25/20/388482520.db2.gz XCBSDCFFCNQYAD-UHFFFAOYSA-N 1 2 246.307 0.616 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547928807 388495605 /nfs/dbraw/zinc/49/56/05/388495605.db2.gz HGXPPEMVUHQPLR-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000547971071 388499584 /nfs/dbraw/zinc/49/95/84/388499584.db2.gz ZEBWQWHEFLNUAD-SECBINFHSA-N 1 2 222.292 0.080 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000547971071 388499587 /nfs/dbraw/zinc/49/95/87/388499587.db2.gz ZEBWQWHEFLNUAD-SECBINFHSA-N 1 2 222.292 0.080 20 0 BCADLO CC[C@@]1(C)C[N@H+](Cc2nc(=O)[nH][nH]2)CCO1 ZINC000135613849 388502326 /nfs/dbraw/zinc/50/23/26/388502326.db2.gz NXDVOQRRYFRVIP-JTQLQIEISA-N 1 2 226.280 0.099 20 0 BCADLO CC[C@@]1(C)C[N@@H+](Cc2nc(=O)[nH][nH]2)CCO1 ZINC000135613849 388502328 /nfs/dbraw/zinc/50/23/28/388502328.db2.gz NXDVOQRRYFRVIP-JTQLQIEISA-N 1 2 226.280 0.099 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](CC(F)F)C(C)C ZINC000343819007 388504065 /nfs/dbraw/zinc/50/40/65/388504065.db2.gz PPESMBMVCPBNFV-SNVBAGLBSA-N 1 2 239.262 0.886 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](CC(F)F)C(C)C ZINC000343819007 388504067 /nfs/dbraw/zinc/50/40/67/388504067.db2.gz PPESMBMVCPBNFV-SNVBAGLBSA-N 1 2 239.262 0.886 20 0 BCADLO CCC[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000516773917 256801970 /nfs/dbraw/zinc/80/19/70/256801970.db2.gz CVWRAOWLFNUYGV-SECBINFHSA-N 1 2 224.308 0.775 20 0 BCADLO CCC[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000516773917 256801971 /nfs/dbraw/zinc/80/19/71/256801971.db2.gz CVWRAOWLFNUYGV-SECBINFHSA-N 1 2 224.308 0.775 20 0 BCADLO CC[C@]1(C)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000135702681 388506604 /nfs/dbraw/zinc/50/66/04/388506604.db2.gz FWJOYFHNEAFJGH-GFCCVEGCSA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@]1(C)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000135702681 388506607 /nfs/dbraw/zinc/50/66/07/388506607.db2.gz FWJOYFHNEAFJGH-GFCCVEGCSA-N 1 2 226.320 0.766 20 0 BCADLO Oc1cccnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000516781273 388517196 /nfs/dbraw/zinc/51/71/96/388517196.db2.gz GGYMZCIVJLJRSM-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO Oc1cccnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000516781273 388517198 /nfs/dbraw/zinc/51/71/98/388517198.db2.gz GGYMZCIVJLJRSM-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO COCc1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000548171332 388519977 /nfs/dbraw/zinc/51/99/77/388519977.db2.gz LCCWRAOFBSGCRE-UHFFFAOYSA-N 1 2 236.231 0.474 20 0 BCADLO Cc1nnccc1NC(=O)NCc1[nH+]ccn1C ZINC000548195914 388522066 /nfs/dbraw/zinc/52/20/66/388522066.db2.gz WZKSNVPJIPHADM-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000528425436 388522424 /nfs/dbraw/zinc/52/24/24/388522424.db2.gz WIUIHWQQYXOGKF-KRXBUXKQSA-N 1 2 242.710 0.729 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCn2c(CO)nnc2C1 ZINC000528425436 388522428 /nfs/dbraw/zinc/52/24/28/388522428.db2.gz WIUIHWQQYXOGKF-KRXBUXKQSA-N 1 2 242.710 0.729 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ncccc1O ZINC000516893949 388522677 /nfs/dbraw/zinc/52/26/77/388522677.db2.gz IDIWVKOHFLQESX-MRVPVSSYSA-N 1 2 224.260 0.781 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ncccc1O ZINC000516893949 388522678 /nfs/dbraw/zinc/52/26/78/388522678.db2.gz IDIWVKOHFLQESX-MRVPVSSYSA-N 1 2 224.260 0.781 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000528426597 388523960 /nfs/dbraw/zinc/52/39/60/388523960.db2.gz LUSATAQSXIAZPN-LPJHWYKZSA-N 1 2 238.740 0.492 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000528426597 388523961 /nfs/dbraw/zinc/52/39/61/388523961.db2.gz LUSATAQSXIAZPN-LPJHWYKZSA-N 1 2 238.740 0.492 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000548298089 388527425 /nfs/dbraw/zinc/52/74/25/388527425.db2.gz FJGSEDOIEIQGSK-MRVPVSSYSA-N 1 2 239.275 0.173 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000548298089 388527428 /nfs/dbraw/zinc/52/74/28/388527428.db2.gz FJGSEDOIEIQGSK-MRVPVSSYSA-N 1 2 239.275 0.173 20 0 BCADLO CC[C@@](C)(CO)C(=O)N(C)Cc1[nH+]ccn1C ZINC000516980059 388529913 /nfs/dbraw/zinc/52/99/13/388529913.db2.gz VWLDTCFJLXXAQZ-LBPRGKRZSA-N 1 2 239.319 0.787 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC(F)(F)CO)C1 ZINC000517392413 388550266 /nfs/dbraw/zinc/55/02/66/388550266.db2.gz UOGCCWCRAFFAHJ-UHFFFAOYSA-N 1 2 236.262 0.072 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](C/C=C(\C)Cl)C1 ZINC000528496170 388535740 /nfs/dbraw/zinc/53/57/40/388535740.db2.gz BCENXHCAXQDIDE-LFTMGRLWSA-N 1 2 232.711 0.704 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](C/C=C(\C)Cl)C1 ZINC000528496170 388535743 /nfs/dbraw/zinc/53/57/43/388535743.db2.gz BCENXHCAXQDIDE-LFTMGRLWSA-N 1 2 232.711 0.704 20 0 BCADLO C[C@@H](F)CCNC(=O)Cc1c[nH+]cn1C ZINC000517049652 388536378 /nfs/dbraw/zinc/53/63/78/388536378.db2.gz PSZFWPFSTJRNDH-MRVPVSSYSA-N 1 2 213.256 0.827 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000253295312 388588897 /nfs/dbraw/zinc/58/88/97/388588897.db2.gz BKGXZXHGJUJLCZ-GMTAPVOTSA-N 1 2 237.303 0.619 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000253295312 388588898 /nfs/dbraw/zinc/58/88/98/388588898.db2.gz BKGXZXHGJUJLCZ-GMTAPVOTSA-N 1 2 237.303 0.619 20 0 BCADLO Cc1ncccc1CNC(=O)Cn1cc[nH+]c1 ZINC000529880941 388596261 /nfs/dbraw/zinc/59/62/61/388596261.db2.gz JHDJXLNPLQDXIP-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2CO)nc1 ZINC000379265963 388602058 /nfs/dbraw/zinc/60/20/58/388602058.db2.gz JUFZIVOKKVQIAQ-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@H+]2CCOC[C@H]2CO)nc1 ZINC000379265963 388602060 /nfs/dbraw/zinc/60/20/60/388602060.db2.gz JUFZIVOKKVQIAQ-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCOC1 ZINC000550344320 388606837 /nfs/dbraw/zinc/60/68/37/388606837.db2.gz CXTRWNOTBYNWMW-SNVBAGLBSA-N 1 2 209.249 0.178 20 0 BCADLO CCn1cc(CC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000548693217 388552969 /nfs/dbraw/zinc/55/29/69/388552969.db2.gz ORHBGHCKFIDVPV-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000548726539 388554796 /nfs/dbraw/zinc/55/47/96/388554796.db2.gz WJLPURUIINRJKA-SNVBAGLBSA-N 1 2 237.303 0.192 20 0 BCADLO CCOC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000528713998 388559314 /nfs/dbraw/zinc/55/93/14/388559314.db2.gz AEJBIQITSHTAOF-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000528713998 388559316 /nfs/dbraw/zinc/55/93/16/388559316.db2.gz AEJBIQITSHTAOF-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000528725859 388561738 /nfs/dbraw/zinc/56/17/38/388561738.db2.gz VPIDXVIONNVFFX-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000528725859 388561740 /nfs/dbraw/zinc/56/17/40/388561740.db2.gz VPIDXVIONNVFFX-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528724214 388562440 /nfs/dbraw/zinc/56/24/40/388562440.db2.gz LXNNADHJVVQIFM-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528724214 388562442 /nfs/dbraw/zinc/56/24/42/388562442.db2.gz LXNNADHJVVQIFM-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000528725034 388562667 /nfs/dbraw/zinc/56/26/67/388562667.db2.gz OHXQWQUQNCOUQU-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000528725034 388562669 /nfs/dbraw/zinc/56/26/69/388562669.db2.gz OHXQWQUQNCOUQU-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000528732407 388563263 /nfs/dbraw/zinc/56/32/63/388563263.db2.gz PWLKCSXRLDCOJK-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000528732407 388563266 /nfs/dbraw/zinc/56/32/66/388563266.db2.gz PWLKCSXRLDCOJK-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO CCOC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000528730267 388563983 /nfs/dbraw/zinc/56/39/83/388563983.db2.gz FRAGWVRFGPXMQJ-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000528730267 388563984 /nfs/dbraw/zinc/56/39/84/388563984.db2.gz FRAGWVRFGPXMQJ-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[C@]1(CO)C[N@@H+](CC(F)F)C[C@@]1(C)CO ZINC000528754350 388566000 /nfs/dbraw/zinc/56/60/00/388566000.db2.gz YVBAVBNRCDNWJJ-AOOOYVTPSA-N 1 2 223.263 0.564 20 0 BCADLO C[C@]1(CO)C[N@H+](CC(F)F)C[C@@]1(C)CO ZINC000528754350 388566003 /nfs/dbraw/zinc/56/60/03/388566003.db2.gz YVBAVBNRCDNWJJ-AOOOYVTPSA-N 1 2 223.263 0.564 20 0 BCADLO CC(=O)N1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184421369 388578307 /nfs/dbraw/zinc/57/83/07/388578307.db2.gz ZZLGWXVCSSQUJU-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408026 388579119 /nfs/dbraw/zinc/57/91/19/388579119.db2.gz CSVGLBJBXSJRSY-LURJTMIESA-N 1 2 208.208 0.046 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408026 388579122 /nfs/dbraw/zinc/57/91/22/388579122.db2.gz CSVGLBJBXSJRSY-LURJTMIESA-N 1 2 208.208 0.046 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnn(C2CC2)c1 ZINC000528913020 388583043 /nfs/dbraw/zinc/58/30/43/388583043.db2.gz AMSSGDSIHHDYSO-UHFFFAOYSA-N 1 2 244.254 0.993 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000245474051 388583387 /nfs/dbraw/zinc/58/33/87/388583387.db2.gz QLWMYHSNYBQGKD-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000245474051 388583388 /nfs/dbraw/zinc/58/33/88/388583388.db2.gz QLWMYHSNYBQGKD-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)CC[C@H]1O ZINC000253185733 388586031 /nfs/dbraw/zinc/58/60/31/388586031.db2.gz KGLGJTCTAMBPBA-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)CC[C@H]1O ZINC000253185733 388586033 /nfs/dbraw/zinc/58/60/33/388586033.db2.gz KGLGJTCTAMBPBA-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H](NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000125411545 388672575 /nfs/dbraw/zinc/67/25/75/388672575.db2.gz WVMLMYRCSBZPFR-SSDOTTSWSA-N 1 2 217.232 0.691 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000248081224 388672639 /nfs/dbraw/zinc/67/26/39/388672639.db2.gz RWKDLAYFNRRKRK-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000248081224 388672641 /nfs/dbraw/zinc/67/26/41/388672641.db2.gz RWKDLAYFNRRKRK-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000248121395 388674090 /nfs/dbraw/zinc/67/40/90/388674090.db2.gz UIOKHYQGNFTHSK-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000248121395 388674091 /nfs/dbraw/zinc/67/40/91/388674091.db2.gz UIOKHYQGNFTHSK-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCOC1 ZINC000521643852 388621803 /nfs/dbraw/zinc/62/18/03/388621803.db2.gz QRKXSRIVONFRMH-VIFPVBQESA-N 1 2 223.276 0.556 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2nncs2)CC[N@H+]1C ZINC000530186546 388624951 /nfs/dbraw/zinc/62/49/51/388624951.db2.gz KHKOKXQVCVMXIC-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2nncs2)CC[N@@H+]1C ZINC000530186546 388624953 /nfs/dbraw/zinc/62/49/53/388624953.db2.gz KHKOKXQVCVMXIC-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000551465276 388631173 /nfs/dbraw/zinc/63/11/73/388631173.db2.gz YJQLLVKHXSMJKC-CMPLNLGQSA-N 1 2 235.287 0.567 20 0 BCADLO CCOCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000189810789 388643817 /nfs/dbraw/zinc/64/38/17/388643817.db2.gz YUVFQALZUCQTIM-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO CCOCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000189810789 388643819 /nfs/dbraw/zinc/64/38/19/388643819.db2.gz YUVFQALZUCQTIM-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000530307322 388648556 /nfs/dbraw/zinc/64/85/56/388648556.db2.gz FZNBUHUIAOSMCP-IAZYJMLFSA-N 1 2 235.287 0.114 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C ZINC000251695032 388648669 /nfs/dbraw/zinc/64/86/69/388648669.db2.gz INUYKZWHARSRQJ-RKDXNWHRSA-N 1 2 238.291 0.056 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC000251695032 388648672 /nfs/dbraw/zinc/64/86/72/388648672.db2.gz INUYKZWHARSRQJ-RKDXNWHRSA-N 1 2 238.291 0.056 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000530340306 388650128 /nfs/dbraw/zinc/65/01/28/388650128.db2.gz QWTIYRKBEFMRIS-DTWKUNHWSA-N 1 2 225.292 0.502 20 0 BCADLO Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000329310762 388650738 /nfs/dbraw/zinc/65/07/38/388650738.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 1 2 237.351 0.728 20 0 BCADLO O=C(c1cnc[nH]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000551998130 388655010 /nfs/dbraw/zinc/65/50/10/388655010.db2.gz QWDOOCYXRRYZBL-UHFFFAOYSA-N 1 2 246.274 0.095 20 0 BCADLO CN(C[C@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC000564385595 388655479 /nfs/dbraw/zinc/65/54/79/388655479.db2.gz SMPFLSXTWQJTPI-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006545 388655941 /nfs/dbraw/zinc/65/59/41/388655941.db2.gz QVGNYRWBDAUHAY-NXEZZACHSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006545 388655944 /nfs/dbraw/zinc/65/59/44/388655944.db2.gz QVGNYRWBDAUHAY-NXEZZACHSA-N 1 2 226.276 0.429 20 0 BCADLO C[N@H+](Cc1nc2ccccc2[nH]1)[C@@H]1COC[C@H]1O ZINC000552006245 388656617 /nfs/dbraw/zinc/65/66/17/388656617.db2.gz ICLQWNWAMGPKKL-VXGBXAGGSA-N 1 2 247.298 0.754 20 0 BCADLO C[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H]1COC[C@H]1O ZINC000552006245 388656620 /nfs/dbraw/zinc/65/66/20/388656620.db2.gz ICLQWNWAMGPKKL-VXGBXAGGSA-N 1 2 247.298 0.754 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006537 388656658 /nfs/dbraw/zinc/65/66/58/388656658.db2.gz OBBNZKOOIWIJCK-IWSPIJDZSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000552006537 388656660 /nfs/dbraw/zinc/65/66/60/388656660.db2.gz OBBNZKOOIWIJCK-IWSPIJDZSA-N 1 2 241.291 0.385 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cnns2)CC1(C)C ZINC000552039112 388663078 /nfs/dbraw/zinc/66/30/78/388663078.db2.gz KTEPDKGAIRXRJC-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cnns2)CC1(C)C ZINC000552039112 388663081 /nfs/dbraw/zinc/66/30/81/388663081.db2.gz KTEPDKGAIRXRJC-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO CCOC(=O)C[N@H+](CC1(CO)COC1)C1CC1 ZINC000089117268 388736424 /nfs/dbraw/zinc/73/64/24/388736424.db2.gz GOVFNCPNPDPHDO-UHFFFAOYSA-N 1 2 243.303 0.023 20 0 BCADLO CCOC(=O)C[N@@H+](CC1(CO)COC1)C1CC1 ZINC000089117268 388736428 /nfs/dbraw/zinc/73/64/28/388736428.db2.gz GOVFNCPNPDPHDO-UHFFFAOYSA-N 1 2 243.303 0.023 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000552849373 388738835 /nfs/dbraw/zinc/73/88/35/388738835.db2.gz PZXYIQUJXQFCKO-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000552849373 388738837 /nfs/dbraw/zinc/73/88/37/388738837.db2.gz PZXYIQUJXQFCKO-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H](C(=O)Nc1ccncc1)[NH+]1CC(C)C1 ZINC000552882803 388739463 /nfs/dbraw/zinc/73/94/63/388739463.db2.gz AKAAEDWRZLLYLS-SNVBAGLBSA-N 1 2 219.288 0.782 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552929554 388740489 /nfs/dbraw/zinc/74/04/89/388740489.db2.gz ORQSPEDELSUWKA-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO CCCCN(CCCO)C(=O)Cn1cc[nH+]c1 ZINC000553075402 388747526 /nfs/dbraw/zinc/74/75/26/388747526.db2.gz KISHQMLYCRQYGL-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC000126160654 388689719 /nfs/dbraw/zinc/68/97/19/388689719.db2.gz FXAAPBJTXFUXEH-ABKXIKBNSA-N 1 2 246.376 0.211 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC000126160654 388689722 /nfs/dbraw/zinc/68/97/22/388689722.db2.gz FXAAPBJTXFUXEH-ABKXIKBNSA-N 1 2 246.376 0.211 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2CNC(=O)C2)c1Cl ZINC000225826857 388691404 /nfs/dbraw/zinc/69/14/04/388691404.db2.gz GRPJUZJPODZMMJ-SCSAIBSYSA-N 1 2 227.655 0.013 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2CNC(=O)C2)c1Cl ZINC000225826857 388691406 /nfs/dbraw/zinc/69/14/06/388691406.db2.gz GRPJUZJPODZMMJ-SCSAIBSYSA-N 1 2 227.655 0.013 20 0 BCADLO C[C@H](CO)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)O ZINC000248868323 388696342 /nfs/dbraw/zinc/69/63/42/388696342.db2.gz BFRSOTPTUAWOOE-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@H](CO)[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)O ZINC000248868323 388696346 /nfs/dbraw/zinc/69/63/46/388696346.db2.gz BFRSOTPTUAWOOE-ZJUUUORDSA-N 1 2 247.335 0.392 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@](C)(O)C1 ZINC000161632098 388697146 /nfs/dbraw/zinc/69/71/46/388697146.db2.gz MNHZGJSJPMFLCN-LBPRGKRZSA-N 1 2 247.302 0.715 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249044967 388705722 /nfs/dbraw/zinc/70/57/22/388705722.db2.gz VSFXRYCUARFAOT-JQWIXIFHSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249044967 388705724 /nfs/dbraw/zinc/70/57/24/388705724.db2.gz VSFXRYCUARFAOT-JQWIXIFHSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1CCN2[C@H](c3c[nH]c[nH+]3)NC(=O)[C@@H]2C1 ZINC000249481333 388723060 /nfs/dbraw/zinc/72/30/60/388723060.db2.gz VOCKAYBHQVRPLO-FKTZTGRPSA-N 1 2 220.276 0.639 20 0 BCADLO C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1c[nH]c[nH+]1 ZINC000249481337 388723118 /nfs/dbraw/zinc/72/31/18/388723118.db2.gz VOCKAYBHQVRPLO-SZEHBUNVSA-N 1 2 220.276 0.639 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCC1 ZINC000522234853 388728486 /nfs/dbraw/zinc/72/84/86/388728486.db2.gz PKSYKRJZXHAZEF-UHFFFAOYSA-N 1 2 243.270 0.898 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249594692 388729399 /nfs/dbraw/zinc/72/93/99/388729399.db2.gz WLEDLTQLUONYPC-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249594692 388729402 /nfs/dbraw/zinc/72/94/02/388729402.db2.gz WLEDLTQLUONYPC-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2ccoc2)CCO1 ZINC000523051899 388793996 /nfs/dbraw/zinc/79/39/96/388793996.db2.gz QLTTWGPSQPOBEP-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccoc2)CCO1 ZINC000523051899 388793997 /nfs/dbraw/zinc/79/39/97/388793997.db2.gz QLTTWGPSQPOBEP-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791769 388799374 /nfs/dbraw/zinc/79/93/74/388799374.db2.gz AMVBDNGUUAEDDI-PSASIEDQSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791769 388799378 /nfs/dbraw/zinc/79/93/78/388799378.db2.gz AMVBDNGUUAEDDI-PSASIEDQSA-N 1 2 228.292 0.148 20 0 BCADLO COC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000648736486 388759879 /nfs/dbraw/zinc/75/98/79/388759879.db2.gz XHPKTSMGJKSDBD-SECBINFHSA-N 1 2 223.276 0.567 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1c(O)cccc1O ZINC000228856157 388776127 /nfs/dbraw/zinc/77/61/27/388776127.db2.gz AYCPANUPKKCDHW-UHFFFAOYSA-N 1 2 247.254 0.761 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000068366095 388778194 /nfs/dbraw/zinc/77/81/94/388778194.db2.gz OMQGXXLVEHBGPB-GFCCVEGCSA-N 1 2 249.314 0.327 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCn2nncc2C1 ZINC000564224563 388785863 /nfs/dbraw/zinc/78/58/63/388785863.db2.gz WYGNSVUIZQRVAA-GHMZBOCLSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCn2nncc2C1 ZINC000564224563 388785865 /nfs/dbraw/zinc/78/58/65/388785865.db2.gz WYGNSVUIZQRVAA-GHMZBOCLSA-N 1 2 222.292 0.397 20 0 BCADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)COC1 ZINC000541153317 388843373 /nfs/dbraw/zinc/84/33/73/388843373.db2.gz JAQNQMLXEFEJDA-UHFFFAOYSA-N 1 2 221.260 0.303 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000541070707 388837888 /nfs/dbraw/zinc/83/78/88/388837888.db2.gz TWUSYOWXFHWLPD-SECBINFHSA-N 1 2 224.308 0.691 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000541070707 388837891 /nfs/dbraw/zinc/83/78/91/388837891.db2.gz TWUSYOWXFHWLPD-SECBINFHSA-N 1 2 224.308 0.691 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523440892 388838990 /nfs/dbraw/zinc/83/89/90/388838990.db2.gz AUPYDQBKBVRNBS-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523440892 388838994 /nfs/dbraw/zinc/83/89/94/388838994.db2.gz AUPYDQBKBVRNBS-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CCO[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523698365 388854474 /nfs/dbraw/zinc/85/44/74/388854474.db2.gz BMNDCQHXAPXMAB-SECBINFHSA-N 1 2 223.276 0.691 20 0 BCADLO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541685655 388863267 /nfs/dbraw/zinc/86/32/67/388863267.db2.gz SKBWCQLYZCCZAU-JGVFFNPUSA-N 1 2 240.307 0.943 20 0 BCADLO C[C@H]1SCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000649172185 388889030 /nfs/dbraw/zinc/88/90/30/388889030.db2.gz CFACBWYRHAHGIG-PSASIEDQSA-N 1 2 239.344 0.973 20 0 BCADLO CC(C)OC[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000564799005 388890204 /nfs/dbraw/zinc/89/02/04/388890204.db2.gz FIXKYLSMXNKOKX-BDAKNGLRSA-N 1 2 241.278 0.378 20 0 BCADLO CCOCC[C@@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000564845618 388894614 /nfs/dbraw/zinc/89/46/14/388894614.db2.gz UZCJKXHHACOAAE-LLVKDONJSA-N 1 2 227.308 0.595 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CO1 ZINC000565030054 388909607 /nfs/dbraw/zinc/90/96/07/388909607.db2.gz RPUCLCVOVQEHJR-ZJUUUORDSA-N 1 2 237.303 0.646 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCSC[C@H]1CO ZINC000565042708 388909767 /nfs/dbraw/zinc/90/97/67/388909767.db2.gz ZDEGKPUOYVJOCR-MRVPVSSYSA-N 1 2 245.373 0.756 20 0 BCADLO Cc1nnsc1C[N@H+]1CCSC[C@H]1CO ZINC000565042708 388909770 /nfs/dbraw/zinc/90/97/70/388909770.db2.gz ZDEGKPUOYVJOCR-MRVPVSSYSA-N 1 2 245.373 0.756 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N[C@H](C)C1 ZINC000565224964 388928335 /nfs/dbraw/zinc/92/83/35/388928335.db2.gz AYDHHGBDLPFFAF-MRVPVSSYSA-N 1 2 220.276 0.418 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H]([C@H](C)O)C1 ZINC000163129047 388933003 /nfs/dbraw/zinc/93/30/03/388933003.db2.gz DHQINMVTLXXUAA-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H]([C@H](C)O)C1 ZINC000163129047 388933005 /nfs/dbraw/zinc/93/30/05/388933005.db2.gz DHQINMVTLXXUAA-JGVFFNPUSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCN1CC(F)F ZINC000153389168 388967978 /nfs/dbraw/zinc/96/79/78/388967978.db2.gz SJQDMOVKMPEFPS-DTWKUNHWSA-N 1 2 249.305 0.522 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCN1CC(F)F ZINC000153389168 388967981 /nfs/dbraw/zinc/96/79/81/388967981.db2.gz SJQDMOVKMPEFPS-DTWKUNHWSA-N 1 2 249.305 0.522 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)O ZINC000565316240 388937331 /nfs/dbraw/zinc/93/73/31/388937331.db2.gz YSZWGVAQUYOLNV-VIFPVBQESA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)O ZINC000565316240 388937335 /nfs/dbraw/zinc/93/73/35/388937335.db2.gz YSZWGVAQUYOLNV-VIFPVBQESA-N 1 2 239.319 0.818 20 0 BCADLO Cn1ncc(CNCc2cn3ccccc3[nH+]2)n1 ZINC000290188784 388938449 /nfs/dbraw/zinc/93/84/49/388938449.db2.gz SPZUNSUFIVQFTA-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CCc1nnc(CNCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC000565372502 388940405 /nfs/dbraw/zinc/94/04/05/388940405.db2.gz LHBISQHWFRMTNG-UHFFFAOYSA-N 1 2 234.307 0.997 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000565402892 388941982 /nfs/dbraw/zinc/94/19/82/388941982.db2.gz FSYJXAJVXCHSAI-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000565402892 388941985 /nfs/dbraw/zinc/94/19/85/388941985.db2.gz FSYJXAJVXCHSAI-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1[nH+]ccn1C ZINC000565489076 388948832 /nfs/dbraw/zinc/94/88/32/388948832.db2.gz LPOHLURQDBDFQW-UHFFFAOYSA-N 1 2 239.319 0.835 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CCO1 ZINC000183606033 132240529 /nfs/dbraw/zinc/24/05/29/132240529.db2.gz YTJCXNHOLAOYHQ-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CCO1 ZINC000183606033 132240531 /nfs/dbraw/zinc/24/05/31/132240531.db2.gz YTJCXNHOLAOYHQ-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO C[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000565959445 388982313 /nfs/dbraw/zinc/98/23/13/388982313.db2.gz NPKMAMLQGGIUOU-VIFPVBQESA-N 1 2 220.272 0.822 20 0 BCADLO C[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000565959445 388982315 /nfs/dbraw/zinc/98/23/15/388982315.db2.gz NPKMAMLQGGIUOU-VIFPVBQESA-N 1 2 220.272 0.822 20 0 BCADLO CC(C)CC[C@@H](O)C[NH2+]Cc1ncn(C)n1 ZINC000566113042 388988399 /nfs/dbraw/zinc/98/83/99/388988399.db2.gz CHGOJEUYQMQFIQ-SNVBAGLBSA-N 1 2 226.324 0.702 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCOC1 ZINC000267156060 388998658 /nfs/dbraw/zinc/99/86/58/388998658.db2.gz FRCIPGBEVVCWNA-VIFPVBQESA-N 1 2 223.276 0.761 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCO1 ZINC000267253820 388999583 /nfs/dbraw/zinc/99/95/83/388999583.db2.gz SDAIDPMGNKKWTN-SECBINFHSA-N 1 2 223.276 0.903 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnns1 ZINC000267221768 388999894 /nfs/dbraw/zinc/99/98/94/388999894.db2.gz OFUOANJCIDKZJQ-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1ncc(C)o1 ZINC000267958095 389001615 /nfs/dbraw/zinc/00/16/15/389001615.db2.gz SDGNMKGIUOJORF-LLVKDONJSA-N 1 2 228.292 0.860 20 0 BCADLO C[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccc(O)c1 ZINC000271849488 389024952 /nfs/dbraw/zinc/02/49/52/389024952.db2.gz WBJBDSKQBVKLRU-ZETCQYMHSA-N 1 2 234.259 0.654 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273593856 389042028 /nfs/dbraw/zinc/04/20/28/389042028.db2.gz JWCCOHDWRCUFGW-ZETCQYMHSA-N 1 2 242.348 0.975 20 0 BCADLO COC(=O)C1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493190344 533230020 /nfs/dbraw/zinc/23/00/20/533230020.db2.gz OIFSJRNROBRRCQ-NSCUHMNNSA-N 1 2 235.243 0.245 20 0 BCADLO CCN(C)C(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000371697951 169671741 /nfs/dbraw/zinc/67/17/41/169671741.db2.gz ZWCDRUNTPMCJCT-UHFFFAOYSA-N 1 2 236.319 0.485 20 0 BCADLO C/C(=C\C(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178735514 533401176 /nfs/dbraw/zinc/40/11/76/533401176.db2.gz ZLYSWMHJDFUHQJ-YKWSONSWSA-N 1 2 249.358 0.459 20 0 BCADLO COC(=O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493388099 533430566 /nfs/dbraw/zinc/43/05/66/533430566.db2.gz NIDFJQGLOQSEPV-NSCUHMNNSA-N 1 2 223.232 0.102 20 0 BCADLO COC(=O)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493070646 533471505 /nfs/dbraw/zinc/47/15/05/533471505.db2.gz MCGRVVSOWWKCFH-ONEGZZNKSA-N 1 2 223.232 0.054 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cn[nH]c1 ZINC000494674873 533473962 /nfs/dbraw/zinc/47/39/62/533473962.db2.gz RUTCKQHCTPYECZ-SSDOTTSWSA-N 1 2 233.279 0.582 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)nn1C ZINC000487417262 533598497 /nfs/dbraw/zinc/59/84/97/533598497.db2.gz SHBQYFSWLMMBCO-NSHDSACASA-N 1 2 236.319 0.568 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)nn1C ZINC000487417262 533598510 /nfs/dbraw/zinc/59/85/10/533598510.db2.gz SHBQYFSWLMMBCO-NSHDSACASA-N 1 2 236.319 0.568 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493449117 533600517 /nfs/dbraw/zinc/60/05/17/533600517.db2.gz HJUBJJWQMNDMBF-ZBJFTSOASA-N 1 2 223.276 0.652 20 0 BCADLO Cc1nc(N2CCC[C@@H](OCCO)C2)cc[nH+]1 ZINC000266453619 132186927 /nfs/dbraw/zinc/18/69/27/132186927.db2.gz XQQMOAQXTYNEKB-LLVKDONJSA-N 1 2 237.303 0.763 20 0 BCADLO C[C@H]1C(=O)NCCN1c1cc[nH+]c2ccncc21 ZINC000271565368 132199066 /nfs/dbraw/zinc/19/90/66/132199066.db2.gz ATAWYSJLARPVHZ-VIFPVBQESA-N 1 2 242.282 0.955 20 0 BCADLO CCc1cc(N2CCn3cnnc3C2)nc(C)[nH+]1 ZINC000272805445 132200793 /nfs/dbraw/zinc/20/07/93/132200793.db2.gz BMIXRDLQLUADGC-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO CN(CC(N)=O)c1cc(N2CCCCC2)[nH+]cn1 ZINC000277252476 132207308 /nfs/dbraw/zinc/20/73/08/132207308.db2.gz QBEKHMRPAAJAMI-UHFFFAOYSA-N 1 2 249.318 0.388 20 0 BCADLO CN(CC(N)=O)c1cc(N2CCCCC2)nc[nH+]1 ZINC000277252476 132207311 /nfs/dbraw/zinc/20/73/11/132207311.db2.gz QBEKHMRPAAJAMI-UHFFFAOYSA-N 1 2 249.318 0.388 20 0 BCADLO O=C1CO[C@H]2CCN(c3cccc[nH+]3)C[C@H]2N1 ZINC000366620419 132212302 /nfs/dbraw/zinc/21/23/02/132212302.db2.gz QRZLMFGXBCPMFN-ZJUUUORDSA-N 1 2 233.271 0.175 20 0 BCADLO CCc1nc(N2CCNC(=O)[C@H]2C)cc(C)[nH+]1 ZINC000283745665 132212966 /nfs/dbraw/zinc/21/29/66/132212966.db2.gz JWERKMCIBJWLDC-SECBINFHSA-N 1 2 234.303 0.672 20 0 BCADLO Fc1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290588659 132217076 /nfs/dbraw/zinc/21/70/76/132217076.db2.gz CTOMTLGPNCBNGS-UHFFFAOYSA-N 1 2 219.223 0.832 20 0 BCADLO Cc1cc(N2CCNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000301074750 132223533 /nfs/dbraw/zinc/22/35/33/132223533.db2.gz XTNMPGYIJVIYFU-UHFFFAOYSA-N 1 2 234.303 0.845 20 0 BCADLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000096474742 132242009 /nfs/dbraw/zinc/24/20/09/132242009.db2.gz ZJGMOCCGZAOEFA-VIFPVBQESA-N 1 2 237.259 0.163 20 0 BCADLO Cc1nc(N2CCn3ncnc3C2)cc[nH+]1 ZINC000329951337 132244721 /nfs/dbraw/zinc/24/47/21/132244721.db2.gz CLVUIZVHOZJHTO-UHFFFAOYSA-N 1 2 216.248 0.397 20 0 BCADLO Cc1nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)cc[nH+]1 ZINC000301335884 132253171 /nfs/dbraw/zinc/25/31/71/132253171.db2.gz CVQKOYBNESDNMX-WPRPVWTQSA-N 1 2 234.303 0.875 20 0 BCADLO Cc1cc(N2CCOC[C@@H]2C[C@H](C)O)nc[nH+]1 ZINC000302201575 132261961 /nfs/dbraw/zinc/26/19/61/132261961.db2.gz SNZVPJNGGHDXHJ-QWRGUYRKSA-N 1 2 237.303 0.761 20 0 BCADLO Cc1cc(N2CCN(C)C(=O)[C@@H]2C)nc[nH+]1 ZINC000302341115 132262941 /nfs/dbraw/zinc/26/29/41/132262941.db2.gz AEOULEZOCOUDPP-VIFPVBQESA-N 1 2 220.276 0.452 20 0 BCADLO C[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000302515258 132264238 /nfs/dbraw/zinc/26/42/38/132264238.db2.gz AIJDWOLJZDDJLC-UHFFFAOYSA-N 1 2 212.684 0.882 20 0 BCADLO COCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617072 132300056 /nfs/dbraw/zinc/30/00/56/132300056.db2.gz WCBNXSYHBLBMIR-UHFFFAOYSA-N 1 2 249.314 0.813 20 0 BCADLO CCc1ncnc(N2CC[NH+](C)CC2)c1F ZINC000270597287 132305260 /nfs/dbraw/zinc/30/52/60/132305260.db2.gz XCYUBXLENMUBSO-UHFFFAOYSA-N 1 2 224.283 0.930 20 0 BCADLO Cc1cc(N2CCCC[NH2+]2)n2ncnc2n1 ZINC000289210808 132307226 /nfs/dbraw/zinc/30/72/26/132307226.db2.gz VYADXZFNRTXZES-UHFFFAOYSA-N 1 2 218.264 0.538 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC(=O)N1 ZINC000295628940 132308054 /nfs/dbraw/zinc/30/80/54/132308054.db2.gz BAAMCFFPJLESFC-RXMQYKEDSA-N 1 2 241.682 0.037 20 0 BCADLO NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000067949319 132389937 /nfs/dbraw/zinc/38/99/37/132389937.db2.gz LEEUBCVGRSFCIL-SECBINFHSA-N 1 2 205.261 0.783 20 0 BCADLO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408331514 133470893 /nfs/dbraw/zinc/47/08/93/133470893.db2.gz NVCQQEUXLZMMPZ-IUCAKERBSA-N 1 2 236.271 0.963 20 0 BCADLO C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)C[C@H]1F ZINC000335091004 133761310 /nfs/dbraw/zinc/76/13/10/133761310.db2.gz OFGHRLCOLCDLTN-KCJUWKMLSA-N 1 2 223.251 0.973 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)CC1(CO)CC1 ZINC000347255891 133817022 /nfs/dbraw/zinc/81/70/22/133817022.db2.gz VNSYTZCXADLAQQ-VIFPVBQESA-N 1 2 224.308 0.580 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)CC1(CO)CC1 ZINC000347255891 133817023 /nfs/dbraw/zinc/81/70/23/133817023.db2.gz VNSYTZCXADLAQQ-VIFPVBQESA-N 1 2 224.308 0.580 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3=CCCC3)C[C@@H]21 ZINC000335841425 133936764 /nfs/dbraw/zinc/93/67/64/133936764.db2.gz KLRBLEJQEDPODO-RYUDHWBXSA-N 1 2 236.315 0.638 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3=CCCC3)C[C@@H]21 ZINC000335841425 133936765 /nfs/dbraw/zinc/93/67/65/133936765.db2.gz KLRBLEJQEDPODO-RYUDHWBXSA-N 1 2 236.315 0.638 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000351921502 134006501 /nfs/dbraw/zinc/00/65/01/134006501.db2.gz QHTWOHHFAPSJSX-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000351921502 134006502 /nfs/dbraw/zinc/00/65/02/134006502.db2.gz QHTWOHHFAPSJSX-WDEREUQCSA-N 1 2 248.392 0.446 20 0 BCADLO CC(C)NC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351924071 134006685 /nfs/dbraw/zinc/00/66/85/134006685.db2.gz CIHGRINEKBNANY-MGPLVRAMSA-N 1 2 246.376 0.354 20 0 BCADLO CC(C)NC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351924071 134006686 /nfs/dbraw/zinc/00/66/86/134006686.db2.gz CIHGRINEKBNANY-MGPLVRAMSA-N 1 2 246.376 0.354 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c[nH+]1 ZINC000335930152 134010451 /nfs/dbraw/zinc/01/04/51/134010451.db2.gz MJYXUVRQQUVXRJ-MRVPVSSYSA-N 1 2 236.275 0.069 20 0 BCADLO CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335943872 134018599 /nfs/dbraw/zinc/01/85/99/134018599.db2.gz WRYWLFQZCIZNEB-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335952486 134021870 /nfs/dbraw/zinc/02/18/70/134021870.db2.gz YYPAJQWFWGLFCT-GXFFZTMASA-N 1 2 249.314 0.429 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000335958977 134024058 /nfs/dbraw/zinc/02/40/58/134024058.db2.gz MCPJAELLKMULMF-CBAPKCEASA-N 1 2 204.245 0.707 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000335958977 134024059 /nfs/dbraw/zinc/02/40/59/134024059.db2.gz MCPJAELLKMULMF-CBAPKCEASA-N 1 2 204.245 0.707 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C)C1 ZINC000335970473 134029567 /nfs/dbraw/zinc/02/95/67/134029567.db2.gz MVSINSFGULILJE-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C)C1 ZINC000335970473 134029568 /nfs/dbraw/zinc/02/95/68/134029568.db2.gz MVSINSFGULILJE-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000351996566 134032936 /nfs/dbraw/zinc/03/29/36/134032936.db2.gz VFJJEANWXNXFQV-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000351996566 134032937 /nfs/dbraw/zinc/03/29/37/134032937.db2.gz VFJJEANWXNXFQV-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO O=C(NC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022276 134055953 /nfs/dbraw/zinc/05/59/53/134055953.db2.gz KOMXNNZDUOITLQ-MRVPVSSYSA-N 1 2 220.276 0.729 20 0 BCADLO O=C(NC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022276 134055954 /nfs/dbraw/zinc/05/59/54/134055954.db2.gz KOMXNNZDUOITLQ-MRVPVSSYSA-N 1 2 220.276 0.729 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000336034275 134059214 /nfs/dbraw/zinc/05/92/14/134059214.db2.gz XVAXFWLYAFIPSV-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000336034275 134059215 /nfs/dbraw/zinc/05/92/15/134059215.db2.gz XVAXFWLYAFIPSV-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO Cn1cccc1C[N@@H+]1CCn2ncnc2C1 ZINC000336066382 134070924 /nfs/dbraw/zinc/07/09/24/134070924.db2.gz BDGWDBFWFPCMSD-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1cccc1C[N@H+]1CCn2ncnc2C1 ZINC000336066382 134070925 /nfs/dbraw/zinc/07/09/25/134070925.db2.gz BDGWDBFWFPCMSD-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO CCN1CC[N@H+](C[C@H]2CC[C@H](C)O2)CC1=O ZINC000336071142 134071776 /nfs/dbraw/zinc/07/17/76/134071776.db2.gz BPWNNUYACITMIW-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2CC[C@H](C)O2)CC1=O ZINC000336071142 134071777 /nfs/dbraw/zinc/07/17/77/134071777.db2.gz BPWNNUYACITMIW-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+](CCOCCO)[C@H](C)c1noc(C)n1 ZINC000352116348 134073978 /nfs/dbraw/zinc/07/39/78/134073978.db2.gz VMSGYUOVONBJFB-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@H](C)c1noc(C)n1 ZINC000352116348 134073979 /nfs/dbraw/zinc/07/39/79/134073979.db2.gz VMSGYUOVONBJFB-SECBINFHSA-N 1 2 243.307 0.770 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)S1=O ZINC000336089880 134078036 /nfs/dbraw/zinc/07/80/36/134078036.db2.gz ZTYPLCOWMKRLSL-IUCAKERBSA-N 1 2 227.333 0.751 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C)c1 ZINC000352209542 134107571 /nfs/dbraw/zinc/10/75/71/134107571.db2.gz CJAXQXYBYAHIJH-WDEREUQCSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccn(C)c1 ZINC000352209542 134107572 /nfs/dbraw/zinc/10/75/72/134107572.db2.gz CJAXQXYBYAHIJH-WDEREUQCSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C)c1 ZINC000352209541 134107668 /nfs/dbraw/zinc/10/76/68/134107668.db2.gz CJAXQXYBYAHIJH-GHMZBOCLSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C)c1 ZINC000352209541 134107669 /nfs/dbraw/zinc/10/76/69/134107669.db2.gz CJAXQXYBYAHIJH-GHMZBOCLSA-N 1 2 238.287 0.133 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[C@@H](O)C1 ZINC000336166087 134113654 /nfs/dbraw/zinc/11/36/54/134113654.db2.gz OCVUWHVJIHOTMT-WCBMZHEXSA-N 1 2 223.276 0.577 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[C@@H](O)C1 ZINC000336166087 134113655 /nfs/dbraw/zinc/11/36/55/134113655.db2.gz OCVUWHVJIHOTMT-WCBMZHEXSA-N 1 2 223.276 0.577 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000336175500 134116674 /nfs/dbraw/zinc/11/66/74/134116674.db2.gz SCCRHIFAUKDUSX-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000336177338 134117050 /nfs/dbraw/zinc/11/70/50/134117050.db2.gz APNGDPRKRHGLRL-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccno1 ZINC000336177338 134117051 /nfs/dbraw/zinc/11/70/51/134117051.db2.gz APNGDPRKRHGLRL-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO Cn1cc[nH+]c1[C@H](NS(C)(=O)=O)C1CC1 ZINC000352287848 134137323 /nfs/dbraw/zinc/13/73/23/134137323.db2.gz SRWMBLVTMMMNPK-MRVPVSSYSA-N 1 2 229.305 0.420 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(O)c1 ZINC000168648497 134238197 /nfs/dbraw/zinc/23/81/97/134238197.db2.gz IJCNKCUHBXJOGP-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(O)c1 ZINC000168648497 134238198 /nfs/dbraw/zinc/23/81/98/134238198.db2.gz IJCNKCUHBXJOGP-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO CCOC1CC([NH2+][C@@H](C)C(=O)OC)C1 ZINC000169181756 134249230 /nfs/dbraw/zinc/24/92/30/134249230.db2.gz OEDGWLPCFLHWDU-UEJVZZJDSA-N 1 2 201.266 0.705 20 0 BCADLO COCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250322 134252273 /nfs/dbraw/zinc/25/22/73/134252273.db2.gz FJTRZOWUDYUJNN-SECBINFHSA-N 1 2 223.276 0.208 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249837 134252489 /nfs/dbraw/zinc/25/24/89/134252489.db2.gz WQINAIUFJNPLGL-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO COCCc1noc(C[NH2+]C(C)(C)COC)n1 ZINC000170900414 134254893 /nfs/dbraw/zinc/25/48/93/134254893.db2.gz XBZXYTBRORATTF-UHFFFAOYSA-N 1 2 243.307 0.773 20 0 BCADLO COC(C)(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000171592197 134259344 /nfs/dbraw/zinc/25/93/44/134259344.db2.gz MCFCRIXZLANVBK-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2ccon2)CC1 ZINC000172648566 134267135 /nfs/dbraw/zinc/26/71/35/134267135.db2.gz NORQANFPPHDRLB-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2ccon2)CC1 ZINC000172648566 134267136 /nfs/dbraw/zinc/26/71/36/134267136.db2.gz NORQANFPPHDRLB-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO C[C@H]1CN(C(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173962045 134276971 /nfs/dbraw/zinc/27/69/71/134276971.db2.gz BWJNJQIRXDXLKO-WDEREUQCSA-N 1 2 241.335 0.321 20 0 BCADLO CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173975416 134277056 /nfs/dbraw/zinc/27/70/56/134277056.db2.gz LMSKDJPTOMINEB-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO CCC[C@@H]([NH2+]CCCNC(C)=O)C(=O)OCC ZINC000173884422 134278303 /nfs/dbraw/zinc/27/83/03/134278303.db2.gz GJZHBZHUQYPXBN-LLVKDONJSA-N 1 2 244.335 0.834 20 0 BCADLO CCn1cc[nH+]c1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000175897984 134288242 /nfs/dbraw/zinc/28/82/42/134288242.db2.gz FKQXXZHJUSKDJP-SNVBAGLBSA-N 1 2 249.318 0.112 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000177037468 134294143 /nfs/dbraw/zinc/29/41/43/134294143.db2.gz ZYNSYXBVUWCEPR-JTQLQIEISA-N 1 2 246.318 0.918 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000177037468 134294144 /nfs/dbraw/zinc/29/41/44/134294144.db2.gz ZYNSYXBVUWCEPR-JTQLQIEISA-N 1 2 246.318 0.918 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2ncnn2C)C1 ZINC000177476845 134298607 /nfs/dbraw/zinc/29/86/07/134298607.db2.gz WFENPKBINZPIHT-LLVKDONJSA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2ncnn2C)C1 ZINC000177476845 134298608 /nfs/dbraw/zinc/29/86/08/134298608.db2.gz WFENPKBINZPIHT-LLVKDONJSA-N 1 2 238.291 0.200 20 0 BCADLO COCCOCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177499349 134298698 /nfs/dbraw/zinc/29/86/98/134298698.db2.gz DVEQNWAVFRGJCI-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO COCCOCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177499349 134298699 /nfs/dbraw/zinc/29/86/99/134298699.db2.gz DVEQNWAVFRGJCI-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO Cc1nc(NCCCc2nc(=O)[nH][nH]2)cc[nH+]1 ZINC000177546633 134298822 /nfs/dbraw/zinc/29/88/22/134298822.db2.gz MQEJXRNJBHXDGQ-UHFFFAOYSA-N 1 2 234.263 0.241 20 0 BCADLO O=C(C=C1CCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178732268 134310939 /nfs/dbraw/zinc/31/09/39/134310939.db2.gz PBGVRPUOLGUANH-GFCCVEGCSA-N 1 2 235.331 0.213 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1C[C@@H]1C1CC1 ZINC000178608524 134312250 /nfs/dbraw/zinc/31/22/50/134312250.db2.gz VVYNCQQAXPBHPX-JHJVBQTASA-N 1 2 249.358 0.149 20 0 BCADLO CCC[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178635441 134312499 /nfs/dbraw/zinc/31/24/99/134312499.db2.gz DDTQVYPSGZEDQU-NWDGAFQWSA-N 1 2 239.363 0.539 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965860 134313679 /nfs/dbraw/zinc/31/36/79/134313679.db2.gz IMFMLYGSDOMABS-MNOVXSKESA-N 1 2 249.314 0.811 20 0 BCADLO CCc1nn(C)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000220987465 134315158 /nfs/dbraw/zinc/31/51/58/134315158.db2.gz SPDUCMJJXYRLSR-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178856358 134315874 /nfs/dbraw/zinc/31/58/74/134315874.db2.gz TWCUGFVRQXRRGX-GHMZBOCLSA-N 1 2 237.347 0.149 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507701 134321212 /nfs/dbraw/zinc/32/12/12/134321212.db2.gz GWLJQLNPWPHMCL-SECBINFHSA-N 1 2 249.318 0.347 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507701 134321213 /nfs/dbraw/zinc/32/12/13/134321213.db2.gz GWLJQLNPWPHMCL-SECBINFHSA-N 1 2 249.318 0.347 20 0 BCADLO CCNC(=O)CN(CC)Cc1c[nH+]c[nH]1 ZINC000179699730 134323566 /nfs/dbraw/zinc/32/35/66/134323566.db2.gz PVLXFNWBPPHWHC-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO O=C(C1CC(=O)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000183560378 134352338 /nfs/dbraw/zinc/35/23/38/134352338.db2.gz DEPVZJCVSWFIIV-NSHDSACASA-N 1 2 247.298 0.853 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000225300462 134354469 /nfs/dbraw/zinc/35/44/69/134354469.db2.gz JJTYBLWEDBUSQR-UHFFFAOYSA-N 1 2 233.724 0.974 20 0 BCADLO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000184005410 134356151 /nfs/dbraw/zinc/35/61/51/134356151.db2.gz UPOYZLWSTVYRLB-ZJUUUORDSA-N 1 2 247.298 0.490 20 0 BCADLO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000184005410 134356152 /nfs/dbraw/zinc/35/61/52/134356152.db2.gz UPOYZLWSTVYRLB-ZJUUUORDSA-N 1 2 247.298 0.490 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000227032170 134373694 /nfs/dbraw/zinc/37/36/94/134373694.db2.gz TWHMSSWSNLNLLK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000227032170 134373695 /nfs/dbraw/zinc/37/36/95/134373695.db2.gz TWHMSSWSNLNLLK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO Cc1cc(N2CC[C@H](C)[C@@H]2CO)nc[nH+]1 ZINC000227171670 134374481 /nfs/dbraw/zinc/37/44/81/134374481.db2.gz FGYAKNRPKFGGDA-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC[C@H](O)C3)c2C1 ZINC000408082526 134389580 /nfs/dbraw/zinc/38/95/80/134389580.db2.gz QPQZKGFMWPXTOT-VIFPVBQESA-N 1 2 234.303 0.036 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CC[C@H](O)C3)c2C1 ZINC000408082526 134389582 /nfs/dbraw/zinc/38/95/82/134389582.db2.gz QPQZKGFMWPXTOT-VIFPVBQESA-N 1 2 234.303 0.036 20 0 BCADLO O=C(Cc1ccoc1)NCCc1[nH]cc[nH+]1 ZINC000185814568 134391159 /nfs/dbraw/zinc/39/11/59/134391159.db2.gz LVJOBRAWVXVOKS-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO COC(=O)[C@H]([NH2+]CC(C)(C)OC)C1CC1 ZINC000227770632 134393632 /nfs/dbraw/zinc/39/36/32/134393632.db2.gz YXSJPVGEPQNMLB-SECBINFHSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1ocnc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000408165930 134427991 /nfs/dbraw/zinc/42/79/91/134427991.db2.gz VNGNDECJRGAYNQ-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO COC[C@@H](O)CCNc1cc(C)[nH+]cn1 ZINC000231569409 134541281 /nfs/dbraw/zinc/54/12/81/134541281.db2.gz KGKWOYXXSYRHOR-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000233682498 134565549 /nfs/dbraw/zinc/56/55/49/134565549.db2.gz ZYEAUSYIGNHDDZ-GUBZILKMSA-N 1 2 231.292 0.284 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc[nH]c1=O ZINC000048963317 134627374 /nfs/dbraw/zinc/62/73/74/134627374.db2.gz RMRZXYXRZCAMMU-SECBINFHSA-N 1 2 246.270 0.390 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643490 134940336 /nfs/dbraw/zinc/94/03/36/134940336.db2.gz WUBHDLFIHRTVMM-JTQLQIEISA-N 1 2 243.351 0.263 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643490 134940338 /nfs/dbraw/zinc/94/03/38/134940338.db2.gz WUBHDLFIHRTVMM-JTQLQIEISA-N 1 2 243.351 0.263 20 0 BCADLO Cn1cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651509 135005788 /nfs/dbraw/zinc/00/57/88/135005788.db2.gz YDMNWVQJYSVMAX-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248401441 135006016 /nfs/dbraw/zinc/00/60/16/135006016.db2.gz ZMDBXQBIMWUSSP-DTWKUNHWSA-N 1 2 241.291 0.121 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248401441 135006018 /nfs/dbraw/zinc/00/60/18/135006018.db2.gz ZMDBXQBIMWUSSP-DTWKUNHWSA-N 1 2 241.291 0.121 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccnc1Cl ZINC000248666072 135018834 /nfs/dbraw/zinc/01/88/34/135018834.db2.gz WMVGKEOLRVYHOD-VHSXEESVSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccnc1Cl ZINC000248666072 135018836 /nfs/dbraw/zinc/01/88/36/135018836.db2.gz WMVGKEOLRVYHOD-VHSXEESVSA-N 1 2 242.706 0.663 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248792044 135021596 /nfs/dbraw/zinc/02/15/96/135021596.db2.gz DNGODMIVCLACOS-IQJOONFLSA-N 1 2 240.303 0.006 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248792044 135021597 /nfs/dbraw/zinc/02/15/97/135021597.db2.gz DNGODMIVCLACOS-IQJOONFLSA-N 1 2 240.303 0.006 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248792046 135021816 /nfs/dbraw/zinc/02/18/16/135021816.db2.gz DNGODMIVCLACOS-NGZCFLSTSA-N 1 2 240.303 0.006 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248792046 135021818 /nfs/dbraw/zinc/02/18/18/135021818.db2.gz DNGODMIVCLACOS-NGZCFLSTSA-N 1 2 240.303 0.006 20 0 BCADLO CCOCC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249432636 135039005 /nfs/dbraw/zinc/03/90/05/135039005.db2.gz ZJPZPIYMUCLWTP-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249432636 135039007 /nfs/dbraw/zinc/03/90/07/135039007.db2.gz ZJPZPIYMUCLWTP-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000249504038 135040104 /nfs/dbraw/zinc/04/01/04/135040104.db2.gz HMQWAGOVWROVEX-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000249504038 135040105 /nfs/dbraw/zinc/04/01/05/135040105.db2.gz HMQWAGOVWROVEX-IUCAKERBSA-N 1 2 210.281 0.713 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000250708509 135058272 /nfs/dbraw/zinc/05/82/72/135058272.db2.gz XJELPDCNIHCFRC-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO O=C(Cc1ccoc1)NCC[NH+]1CCOCC1 ZINC000163703019 135072985 /nfs/dbraw/zinc/07/29/85/135072985.db2.gz ADLLOJUFQCGNES-UHFFFAOYSA-N 1 2 238.287 0.271 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@H](CO)OC[C@H]1C ZINC000252476565 135091307 /nfs/dbraw/zinc/09/13/07/135091307.db2.gz KQOFGESDFJUZGR-GHMZBOCLSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCCO1 ZINC000087230623 135113492 /nfs/dbraw/zinc/11/34/92/135113492.db2.gz WNVSBNNFLCERSZ-JTQLQIEISA-N 1 2 209.249 0.595 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCCO1 ZINC000087230623 135113493 /nfs/dbraw/zinc/11/34/93/135113493.db2.gz WNVSBNNFLCERSZ-JTQLQIEISA-N 1 2 209.249 0.595 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000252874404 135114944 /nfs/dbraw/zinc/11/49/44/135114944.db2.gz WBUNGRFVNLBZFS-HLTSFMKQSA-N 1 2 203.282 0.545 20 0 BCADLO NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000078452209 135125071 /nfs/dbraw/zinc/12/50/71/135125071.db2.gz MQBYKTKMRKZTTJ-LBPRGKRZSA-N 1 2 249.314 0.728 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253212853 135125086 /nfs/dbraw/zinc/12/50/86/135125086.db2.gz BUPPPOSPAQSUIB-NXEZZACHSA-N 1 2 226.320 0.812 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253212853 135125088 /nfs/dbraw/zinc/12/50/88/135125088.db2.gz BUPPPOSPAQSUIB-NXEZZACHSA-N 1 2 226.320 0.812 20 0 BCADLO O=C(CNCC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000078739760 135148527 /nfs/dbraw/zinc/14/85/27/135148527.db2.gz WIMDFDVCCDWRNJ-UHFFFAOYSA-N 1 2 236.197 0.178 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000261086353 135149585 /nfs/dbraw/zinc/14/95/85/135149585.db2.gz UDFSNMYANRDKOW-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000261086353 135149587 /nfs/dbraw/zinc/14/95/87/135149587.db2.gz UDFSNMYANRDKOW-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000261102120 135149684 /nfs/dbraw/zinc/14/96/84/135149684.db2.gz YPQMUKYGKBOTKZ-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000261102120 135149685 /nfs/dbraw/zinc/14/96/85/135149685.db2.gz YPQMUKYGKBOTKZ-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO O=C(NCCC1CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539773 135178425 /nfs/dbraw/zinc/17/84/25/135178425.db2.gz DCQKARTXWDBTHT-MRVPVSSYSA-N 1 2 218.247 0.900 20 0 BCADLO O=C(NCCC1CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261539774 135178822 /nfs/dbraw/zinc/17/88/22/135178822.db2.gz DCQKARTXWDBTHT-QMMMGPOBSA-N 1 2 218.247 0.900 20 0 BCADLO CCCCNC(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377040 135214944 /nfs/dbraw/zinc/21/49/44/135214944.db2.gz DFKTURMIGWQLFY-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261589019 135229408 /nfs/dbraw/zinc/22/94/08/135229408.db2.gz SUGYPFQDCMKCRC-QMMMGPOBSA-N 1 2 243.332 0.573 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261589019 135229409 /nfs/dbraw/zinc/22/94/09/135229409.db2.gz SUGYPFQDCMKCRC-QMMMGPOBSA-N 1 2 243.332 0.573 20 0 BCADLO COC[C@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000342564021 135289877 /nfs/dbraw/zinc/28/98/77/135289877.db2.gz FBSWKUTUOOVWON-VIFPVBQESA-N 1 2 240.307 0.759 20 0 BCADLO COC[C@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000342564021 135289878 /nfs/dbraw/zinc/28/98/78/135289878.db2.gz FBSWKUTUOOVWON-VIFPVBQESA-N 1 2 240.307 0.759 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000342580457 135292091 /nfs/dbraw/zinc/29/20/91/135292091.db2.gz DUNUDIRDHUEOMH-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342580457 135292093 /nfs/dbraw/zinc/29/20/93/135292093.db2.gz DUNUDIRDHUEOMH-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](CCN1CCCC1=O)CC(=O)OC ZINC000342614962 135294997 /nfs/dbraw/zinc/29/49/97/135294997.db2.gz MLBWCXMIDBSABV-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CC[N@@H+](CCN1CCCC1=O)CC(=O)OC ZINC000342614962 135294998 /nfs/dbraw/zinc/29/49/98/135294998.db2.gz MLBWCXMIDBSABV-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000342631928 135298625 /nfs/dbraw/zinc/29/86/25/135298625.db2.gz LCHXLNZXAMEYAL-NWDGAFQWSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000342631928 135298627 /nfs/dbraw/zinc/29/86/27/135298627.db2.gz LCHXLNZXAMEYAL-NWDGAFQWSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000342631929 135298688 /nfs/dbraw/zinc/29/86/88/135298688.db2.gz LCHXLNZXAMEYAL-RYUDHWBXSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000342631929 135298690 /nfs/dbraw/zinc/29/86/90/135298690.db2.gz LCHXLNZXAMEYAL-RYUDHWBXSA-N 1 2 248.330 0.554 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)nc1 ZINC000342633014 135298805 /nfs/dbraw/zinc/29/88/05/135298805.db2.gz HTBUYUFGGRKCCK-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@@](C)=O)nc1 ZINC000342633014 135298807 /nfs/dbraw/zinc/29/88/07/135298807.db2.gz HTBUYUFGGRKCCK-QLJPJBMISA-N 1 2 241.360 0.984 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cc1cc[nH]n1 ZINC000342733219 135316182 /nfs/dbraw/zinc/31/61/82/135316182.db2.gz MJCDRGVQYNYOEZ-UHFFFAOYSA-N 1 2 232.243 0.995 20 0 BCADLO COC(=O)CN(C)Cc1[nH+]cc(C)n1C ZINC000342778216 135317871 /nfs/dbraw/zinc/31/78/71/135317871.db2.gz KQPJFRVDKYJQDL-UHFFFAOYSA-N 1 2 211.265 0.333 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@H]2CCOC2)n1C ZINC000342789845 135318651 /nfs/dbraw/zinc/31/86/51/135318651.db2.gz YIMLJXMTPHSYRV-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2CCOC2)n1C ZINC000342789845 135318652 /nfs/dbraw/zinc/31/86/52/135318652.db2.gz YIMLJXMTPHSYRV-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2CCOC2)n1C ZINC000342789845 135318653 /nfs/dbraw/zinc/31/86/53/135318653.db2.gz YIMLJXMTPHSYRV-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1ncc(C)n1C ZINC000342799848 135320646 /nfs/dbraw/zinc/32/06/46/135320646.db2.gz OUWRAQVEDBMJBC-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1ncc(C)n1C ZINC000342799848 135320648 /nfs/dbraw/zinc/32/06/48/135320648.db2.gz OUWRAQVEDBMJBC-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CNC(=O)CCN(C)Cc1[nH+]cc(C)n1C ZINC000342799848 135320649 /nfs/dbraw/zinc/32/06/49/135320649.db2.gz OUWRAQVEDBMJBC-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262991423 135325573 /nfs/dbraw/zinc/32/55/73/135325573.db2.gz NSDSAHKEWGIJQC-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO O=C(NCc1cccnc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262966563 135325875 /nfs/dbraw/zinc/32/58/75/135325875.db2.gz LJDCSCXNSXAUSI-VIFPVBQESA-N 1 2 241.241 0.695 20 0 BCADLO COC(=O)[C@@H]1CCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342771975 135327095 /nfs/dbraw/zinc/32/70/95/135327095.db2.gz AFNNVIFOXCCRER-SNVBAGLBSA-N 1 2 237.303 0.723 20 0 BCADLO O=C(NCC1CCOCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263279478 135344212 /nfs/dbraw/zinc/34/42/12/135344212.db2.gz UATGEBLSVSIMIG-SECBINFHSA-N 1 2 248.273 0.526 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)N2CCCC2)c[nH+]1 ZINC000334366540 135374149 /nfs/dbraw/zinc/37/41/49/135374149.db2.gz PVEKQVIDPBSAOS-UHFFFAOYSA-N 1 2 236.275 0.070 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334373498 135376605 /nfs/dbraw/zinc/37/66/05/135376605.db2.gz CHDQZZMWOMGNER-ZYHUDNBSSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081485017 135386943 /nfs/dbraw/zinc/38/69/43/135386943.db2.gz QDZVVWCDRQRWMW-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081485017 135386946 /nfs/dbraw/zinc/38/69/46/135386946.db2.gz QDZVVWCDRQRWMW-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334403438 135391825 /nfs/dbraw/zinc/39/18/25/135391825.db2.gz DUYRBPOSOSLUTN-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(F)(F)F ZINC000077283986 135392230 /nfs/dbraw/zinc/39/22/30/135392230.db2.gz YDFNQFJDAWAYOP-RQJHMYQMSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(F)(F)F ZINC000077283986 135392232 /nfs/dbraw/zinc/39/22/32/135392232.db2.gz YDFNQFJDAWAYOP-RQJHMYQMSA-N 1 2 241.209 0.547 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2CO)o1 ZINC000334412948 135396540 /nfs/dbraw/zinc/39/65/40/135396540.db2.gz MCGYMWOVKXCTML-SECBINFHSA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@H]2CO)o1 ZINC000334412948 135396541 /nfs/dbraw/zinc/39/65/41/135396541.db2.gz MCGYMWOVKXCTML-SECBINFHSA-N 1 2 228.317 0.893 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334435420 135406958 /nfs/dbraw/zinc/40/69/58/135406958.db2.gz OSFQUXYKVDPVAH-MRVPVSSYSA-N 1 2 246.270 0.199 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC(O)(C2CC2)C1 ZINC000089667186 135539121 /nfs/dbraw/zinc/53/91/21/135539121.db2.gz FLMBKDIDKDSHRN-UHFFFAOYSA-N 1 2 245.286 0.324 20 0 BCADLO CCOC(=O)CN(C)Cc1c[nH+]cn1CC ZINC000090235879 135548438 /nfs/dbraw/zinc/54/84/38/135548438.db2.gz VYBXGYUNUDXLSW-UHFFFAOYSA-N 1 2 225.292 0.898 20 0 BCADLO C[C@H](O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212287 135560528 /nfs/dbraw/zinc/56/05/28/135560528.db2.gz CMHPKEYUIAQTOG-JTQLQIEISA-N 1 2 245.282 0.869 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)cn1 ZINC000095010547 135623771 /nfs/dbraw/zinc/62/37/71/135623771.db2.gz NNEJDLKHQFFKIG-SECBINFHSA-N 1 2 245.286 0.878 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]1C(F)F ZINC000345826405 135896598 /nfs/dbraw/zinc/89/65/98/135896598.db2.gz SUNUGLYOUHFVNR-BQBZGAKWSA-N 1 2 215.203 0.653 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000347719025 136003486 /nfs/dbraw/zinc/00/34/86/136003486.db2.gz GMQHREZFPYEPDK-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000347719025 136003487 /nfs/dbraw/zinc/00/34/87/136003487.db2.gz GMQHREZFPYEPDK-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO O[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347698880 136007350 /nfs/dbraw/zinc/00/73/50/136007350.db2.gz JGGATWHWSJBSQE-QMMMGPOBSA-N 1 2 217.219 0.845 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347698880 136007351 /nfs/dbraw/zinc/00/73/51/136007351.db2.gz JGGATWHWSJBSQE-QMMMGPOBSA-N 1 2 217.219 0.845 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccon1 ZINC000347786592 136009555 /nfs/dbraw/zinc/00/95/55/136009555.db2.gz ROMUYSVCQHEMEA-SECBINFHSA-N 1 2 249.274 0.932 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000347909481 136015924 /nfs/dbraw/zinc/01/59/24/136015924.db2.gz INPUXQMLXBSOKB-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000347909481 136015925 /nfs/dbraw/zinc/01/59/25/136015925.db2.gz INPUXQMLXBSOKB-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000347994129 136023331 /nfs/dbraw/zinc/02/33/31/136023331.db2.gz DOBWIDUPAJTBGD-ONGXEEELSA-N 1 2 244.335 0.642 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCN2CCCC2=O)n1 ZINC000348096525 136035794 /nfs/dbraw/zinc/03/57/94/136035794.db2.gz QPYDLUGIQGHOLA-MRVPVSSYSA-N 1 2 238.291 0.651 20 0 BCADLO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cscn1 ZINC000348187244 136039998 /nfs/dbraw/zinc/03/99/98/136039998.db2.gz POSXSQPCDDHAHP-CBAPKCEASA-N 1 2 246.357 0.666 20 0 BCADLO C[C@H]1CCSCC[N@@H+]1Cc1nnn(C)n1 ZINC000348158692 136041305 /nfs/dbraw/zinc/04/13/05/136041305.db2.gz LPXZCHGSWLSBHW-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H]1CCSCC[N@H+]1Cc1nnn(C)n1 ZINC000348158692 136041306 /nfs/dbraw/zinc/04/13/06/136041306.db2.gz LPXZCHGSWLSBHW-QMMMGPOBSA-N 1 2 227.337 0.538 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000348220244 136047001 /nfs/dbraw/zinc/04/70/01/136047001.db2.gz MTTAHEOIFUJXBX-GHMZBOCLSA-N 1 2 225.292 0.348 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000348219306 136047222 /nfs/dbraw/zinc/04/72/22/136047222.db2.gz LYMZDZBKKKLPKP-WDEREUQCSA-N 1 2 245.319 0.315 20 0 BCADLO CN1CN(C(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000335325104 136051360 /nfs/dbraw/zinc/05/13/60/136051360.db2.gz WWWAZALXAYBRTM-UHFFFAOYSA-N 1 2 244.254 0.206 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000348252551 136057152 /nfs/dbraw/zinc/05/71/52/136057152.db2.gz ZQIJRGOMIUVCRD-UMNHJUIQSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000348252551 136057153 /nfs/dbraw/zinc/05/71/53/136057153.db2.gz ZQIJRGOMIUVCRD-UMNHJUIQSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1C ZINC000348281975 136059895 /nfs/dbraw/zinc/05/98/95/136059895.db2.gz NTNDEGQNRBBTJB-NKWVEPMBSA-N 1 2 249.240 0.983 20 0 BCADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1C ZINC000348281975 136059896 /nfs/dbraw/zinc/05/98/96/136059896.db2.gz NTNDEGQNRBBTJB-NKWVEPMBSA-N 1 2 249.240 0.983 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)Cc1ccon1 ZINC000348326853 136070621 /nfs/dbraw/zinc/07/06/21/136070621.db2.gz NVWUTVJJHVQERP-UHFFFAOYSA-N 1 2 247.254 0.937 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@@H](C)O1 ZINC000348348511 136071716 /nfs/dbraw/zinc/07/17/16/136071716.db2.gz LWUCVKJQBYVMGM-BBBLOLIVSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@@H](C)O1 ZINC000348348511 136071717 /nfs/dbraw/zinc/07/17/17/136071717.db2.gz LWUCVKJQBYVMGM-BBBLOLIVSA-N 1 2 229.276 0.038 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348361309 136072549 /nfs/dbraw/zinc/07/25/49/136072549.db2.gz AIFSEJURKPLBLW-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348361309 136072550 /nfs/dbraw/zinc/07/25/50/136072550.db2.gz AIFSEJURKPLBLW-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@H]1CCCNC1=O ZINC000348383679 136073987 /nfs/dbraw/zinc/07/39/87/136073987.db2.gz YRSXYOKOMQFMFT-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@H]1CCCNC1=O ZINC000348383679 136073988 /nfs/dbraw/zinc/07/39/88/136073988.db2.gz YRSXYOKOMQFMFT-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO Cn1nccc1C[NH+](C)Cc1ccnn1C ZINC000348378261 136074133 /nfs/dbraw/zinc/07/41/33/136074133.db2.gz SMUPYFCLVJGPHE-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO C[C@@H]1C(=O)N(CCn2cc[nH+]c2)C(=O)N1C ZINC000348431327 136078517 /nfs/dbraw/zinc/07/85/17/136078517.db2.gz RDCQEOXJKHGDMU-MRVPVSSYSA-N 1 2 222.248 0.166 20 0 BCADLO C[C@H]1C(=O)N(CCn2cc[nH+]c2)C(=O)N1C ZINC000348499904 136095279 /nfs/dbraw/zinc/09/52/79/136095279.db2.gz RDCQEOXJKHGDMU-QMMMGPOBSA-N 1 2 222.248 0.166 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335547347 136097080 /nfs/dbraw/zinc/09/70/80/136097080.db2.gz FIUDBOOFAWQLKX-CMPLNLGQSA-N 1 2 249.314 0.693 20 0 BCADLO CC(C)(O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549703 136097657 /nfs/dbraw/zinc/09/76/57/136097657.db2.gz TUIXTOSCVMKYEO-SECBINFHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](O)C1 ZINC000335558072 136100325 /nfs/dbraw/zinc/10/03/25/136100325.db2.gz KYEZOXWPYMIBJC-CMPLNLGQSA-N 1 2 249.314 0.429 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000335591691 136103550 /nfs/dbraw/zinc/10/35/50/136103550.db2.gz QAFXJCLKRHZPPS-SNVBAGLBSA-N 1 2 222.292 0.012 20 0 BCADLO Cc1cnn(CC[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000335591691 136103551 /nfs/dbraw/zinc/10/35/51/136103551.db2.gz QAFXJCLKRHZPPS-SNVBAGLBSA-N 1 2 222.292 0.012 20 0 BCADLO CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000348636331 136114448 /nfs/dbraw/zinc/11/44/48/136114448.db2.gz QTHRYILMRCYPIC-LBPRGKRZSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1=CCCC1 ZINC000348702594 136116590 /nfs/dbraw/zinc/11/65/90/136116590.db2.gz UNHWHKNSHREMRU-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO COC(=O)C[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000178815074 397803512 /nfs/dbraw/zinc/80/35/12/397803512.db2.gz NDFBPFVREIZLPM-VIFPVBQESA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000181463066 397807341 /nfs/dbraw/zinc/80/73/41/397807341.db2.gz NAANSEGEHXBXMF-VIFPVBQESA-N 1 2 217.309 0.936 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C)cn1 ZINC000408060935 397847717 /nfs/dbraw/zinc/84/77/17/397847717.db2.gz HKLAOPDXICFFFQ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C)cn1 ZINC000408060935 397847721 /nfs/dbraw/zinc/84/77/21/397847721.db2.gz HKLAOPDXICFFFQ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C)cn1 ZINC000408060951 397848546 /nfs/dbraw/zinc/84/85/46/397848546.db2.gz HKLAOPDXICFFFQ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C)cn1 ZINC000408060951 397848548 /nfs/dbraw/zinc/84/85/48/397848548.db2.gz HKLAOPDXICFFFQ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@H]1[C@H]([NH2+]Cc2cscn2)CCS1(=O)=O ZINC000309101766 397851077 /nfs/dbraw/zinc/85/10/77/397851077.db2.gz GCTWHMZSRQMMIO-IONNQARKSA-N 1 2 246.357 0.808 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@H]2C[C@H]2C)c[nH+]1 ZINC000390160896 397880363 /nfs/dbraw/zinc/88/03/63/397880363.db2.gz ZPPPVQBIPIOPJY-HZGVNTEJSA-N 1 2 220.276 0.470 20 0 BCADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ncnn1CCF ZINC000440529122 397931270 /nfs/dbraw/zinc/93/12/70/397931270.db2.gz XILGJOUCRAITPS-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ncnn1CCF ZINC000440529122 397931273 /nfs/dbraw/zinc/93/12/73/397931273.db2.gz XILGJOUCRAITPS-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO CC(C)(C(=O)NCCCCF)[NH+]1CCOCC1 ZINC000360799886 397968752 /nfs/dbraw/zinc/96/87/52/397968752.db2.gz FMIJLQCCCOASKG-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000387916272 397938917 /nfs/dbraw/zinc/93/89/17/397938917.db2.gz WXASBYFIYNOEGT-WPRPVWTQSA-N 1 2 208.261 0.391 20 0 BCADLO Cc1cnc(C(=O)N2CCn3cc[nH+]c3C2)cn1 ZINC000408167088 397967658 /nfs/dbraw/zinc/96/76/58/397967658.db2.gz WFRUWSXWMDKOHR-UHFFFAOYSA-N 1 2 243.270 0.638 20 0 BCADLO CCOCCO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359683815 397956152 /nfs/dbraw/zinc/95/61/52/397956152.db2.gz QXZKNABLEDUJES-VIFPVBQESA-N 1 2 241.291 0.468 20 0 BCADLO CCOCCO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359683815 397956157 /nfs/dbraw/zinc/95/61/57/397956157.db2.gz QXZKNABLEDUJES-VIFPVBQESA-N 1 2 241.291 0.468 20 0 BCADLO CCCc1nc(C[N@@H+]2CC[C@@H](O)[C@H]2C)no1 ZINC000650187878 397968177 /nfs/dbraw/zinc/96/81/77/397968177.db2.gz HALRGKGHMVURSL-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1nc(C[N@H+]2CC[C@@H](O)[C@H]2C)no1 ZINC000650187878 397968181 /nfs/dbraw/zinc/96/81/81/397968181.db2.gz HALRGKGHMVURSL-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000336615769 397911199 /nfs/dbraw/zinc/91/11/99/397911199.db2.gz HOIKWMZKFPGRDY-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000336615769 397911203 /nfs/dbraw/zinc/91/12/03/397911203.db2.gz HOIKWMZKFPGRDY-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)n1cccn1 ZINC000264303885 397919513 /nfs/dbraw/zinc/91/95/13/397919513.db2.gz MJEXEYIJGYGOLP-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC(=O)N1 ZINC000649529734 397919791 /nfs/dbraw/zinc/91/97/91/397919791.db2.gz ZUKXUYHKBGVLJP-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC(=O)N1 ZINC000649529734 397919795 /nfs/dbraw/zinc/91/97/95/397919795.db2.gz ZUKXUYHKBGVLJP-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO CCOCCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000649615353 397998505 /nfs/dbraw/zinc/99/85/05/397998505.db2.gz QHDIQBDITDYYAT-UHFFFAOYSA-N 1 2 240.307 0.013 20 0 BCADLO CCOCCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000649615353 397998507 /nfs/dbraw/zinc/99/85/07/397998507.db2.gz QHDIQBDITDYYAT-UHFFFAOYSA-N 1 2 240.307 0.013 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000649635386 398016985 /nfs/dbraw/zinc/01/69/85/398016985.db2.gz ROURZACGDXWGIP-UHFFFAOYSA-N 1 2 248.330 0.527 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)CC2(CCCC2)O1 ZINC000646131798 398020103 /nfs/dbraw/zinc/02/01/03/398020103.db2.gz JSIVBGATFOQTSB-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)CC2(CCCC2)O1 ZINC000646131798 398020104 /nfs/dbraw/zinc/02/01/04/398020104.db2.gz JSIVBGATFOQTSB-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276426654 398022981 /nfs/dbraw/zinc/02/29/81/398022981.db2.gz OUGDGIOOQVMIJW-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276426654 398022984 /nfs/dbraw/zinc/02/29/84/398022984.db2.gz OUGDGIOOQVMIJW-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000276739046 398023791 /nfs/dbraw/zinc/02/37/91/398023791.db2.gz CSDOAVBWWMARHY-LBPRGKRZSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000276739046 398023795 /nfs/dbraw/zinc/02/37/95/398023795.db2.gz CSDOAVBWWMARHY-LBPRGKRZSA-N 1 2 248.330 0.915 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000277959790 398034164 /nfs/dbraw/zinc/03/41/64/398034164.db2.gz JBHOERZZXNIDHS-QMMMGPOBSA-N 1 2 210.233 0.670 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000277959790 398034167 /nfs/dbraw/zinc/03/41/67/398034167.db2.gz JBHOERZZXNIDHS-QMMMGPOBSA-N 1 2 210.233 0.670 20 0 BCADLO C[C@H](CNc1ccc(C(=O)[O-])c[nH+]1)C[NH+](C)C ZINC000383765986 398036735 /nfs/dbraw/zinc/03/67/35/398036735.db2.gz FSTNKGPJUZTMKF-SECBINFHSA-N 1 2 237.303 0.811 20 0 BCADLO CNC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649692835 398040291 /nfs/dbraw/zinc/04/02/91/398040291.db2.gz HUEUZGULUJHDJT-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO CNC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000649692835 398040294 /nfs/dbraw/zinc/04/02/94/398040294.db2.gz HUEUZGULUJHDJT-UHFFFAOYSA-N 1 2 206.236 0.854 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)NCCn1cc[nH+]c1 ZINC000361032213 397969620 /nfs/dbraw/zinc/96/96/20/397969620.db2.gz PSHBWIKRMLJYHC-ZJUUUORDSA-N 1 2 240.307 0.342 20 0 BCADLO CCOC(=O)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594257374 397970820 /nfs/dbraw/zinc/97/08/20/397970820.db2.gz WNBNNQHOZBNDPJ-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)C(=O)OC ZINC000362021850 397978497 /nfs/dbraw/zinc/97/84/97/397978497.db2.gz ZXSXXNSUHNNXNR-GARJFASQSA-N 1 2 245.319 0.722 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](C)O)C(C)C ZINC000451600385 397978540 /nfs/dbraw/zinc/97/85/40/397978540.db2.gz YLCOKVSTHWIADS-UWVGGRQHSA-N 1 2 217.309 0.933 20 0 BCADLO COC[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279271088 398043293 /nfs/dbraw/zinc/04/32/93/398043293.db2.gz VJPIDYIZWICAEA-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2snnc2C)C[C@@H]1OC ZINC000649592413 397986019 /nfs/dbraw/zinc/98/60/19/397986019.db2.gz FTQQZJNUQHMGNC-DTORHVGOSA-N 1 2 243.332 0.692 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2snnc2C)C[C@@H]1OC ZINC000649592413 397986021 /nfs/dbraw/zinc/98/60/21/397986021.db2.gz FTQQZJNUQHMGNC-DTORHVGOSA-N 1 2 243.332 0.692 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000649729667 398068237 /nfs/dbraw/zinc/06/82/37/398068237.db2.gz DDEHMLNVYMWPPF-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000649729667 398068241 /nfs/dbraw/zinc/06/82/41/398068241.db2.gz DDEHMLNVYMWPPF-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307691401 398069987 /nfs/dbraw/zinc/06/99/87/398069987.db2.gz PRIXZPAWINQXNM-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO CO[C@H](C)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307691401 398069992 /nfs/dbraw/zinc/06/99/92/398069992.db2.gz PRIXZPAWINQXNM-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO CN(CCCO)C(=O)NCCCn1cc[nH+]c1 ZINC000282941988 398070319 /nfs/dbraw/zinc/07/03/19/398070319.db2.gz GYPHSMMTYDXFLB-UHFFFAOYSA-N 1 2 240.307 0.297 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000649731806 398071561 /nfs/dbraw/zinc/07/15/61/398071561.db2.gz NEPJTJYEVFEPEX-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)CO1 ZINC000649731806 398071564 /nfs/dbraw/zinc/07/15/64/398071564.db2.gz NEPJTJYEVFEPEX-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC)[C@H](C)CO1 ZINC000649731266 398071659 /nfs/dbraw/zinc/07/16/59/398071659.db2.gz FJFHJBKOIQKFDR-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC)[C@H](C)CO1 ZINC000649731266 398071663 /nfs/dbraw/zinc/07/16/63/398071663.db2.gz FJFHJBKOIQKFDR-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)CO1 ZINC000649735025 398075600 /nfs/dbraw/zinc/07/56/00/398075600.db2.gz DVFLPWOZYJKHRY-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)CO1 ZINC000649735025 398075602 /nfs/dbraw/zinc/07/56/02/398075602.db2.gz DVFLPWOZYJKHRY-BDAKNGLRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000389399348 398081356 /nfs/dbraw/zinc/08/13/56/398081356.db2.gz GLKIIYIZIFOMPR-QMMMGPOBSA-N 1 2 207.281 0.829 20 0 BCADLO CC[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000389399348 398081358 /nfs/dbraw/zinc/08/13/58/398081358.db2.gz GLKIIYIZIFOMPR-QMMMGPOBSA-N 1 2 207.281 0.829 20 0 BCADLO Cc1nc(N[C@@H]2CCOC2(C)C)nc(N)[nH+]1 ZINC000328451447 398083508 /nfs/dbraw/zinc/08/35/08/398083508.db2.gz PPUKLCNKEYHJKJ-SSDOTTSWSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCOC2(C)C)[nH+]1 ZINC000328451447 398083510 /nfs/dbraw/zinc/08/35/10/398083510.db2.gz PPUKLCNKEYHJKJ-SSDOTTSWSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000291578346 398095647 /nfs/dbraw/zinc/09/56/47/398095647.db2.gz OONFRHVVLHTOBJ-LLVKDONJSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000291578346 398095653 /nfs/dbraw/zinc/09/56/53/398095653.db2.gz OONFRHVVLHTOBJ-LLVKDONJSA-N 1 2 248.330 0.915 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[C@@H]21 ZINC000646748990 398087032 /nfs/dbraw/zinc/08/70/32/398087032.db2.gz XUCCUZLPXKEVSY-DTWKUNHWSA-N 1 2 221.260 0.342 20 0 BCADLO CC[N@H+](Cc1nnnn1C)[C@@H]1CCCOC1 ZINC000649758369 398088267 /nfs/dbraw/zinc/08/82/67/398088267.db2.gz NBFDBSRKHRVLTG-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)[C@@H]1CCCOC1 ZINC000649758369 398088268 /nfs/dbraw/zinc/08/82/68/398088268.db2.gz NBFDBSRKHRVLTG-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cn(C)nc1CC ZINC000644842937 398095960 /nfs/dbraw/zinc/09/59/60/398095960.db2.gz GIFHHRXAGPDZOE-UHFFFAOYSA-N 1 2 238.335 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cn(C)nc1CC ZINC000644842937 398095962 /nfs/dbraw/zinc/09/59/62/398095962.db2.gz GIFHHRXAGPDZOE-UHFFFAOYSA-N 1 2 238.335 0.680 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C)cn1 ZINC000649763993 398091967 /nfs/dbraw/zinc/09/19/67/398091967.db2.gz NDUZSYBGVYJWNJ-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C)cn1 ZINC000649763993 398091972 /nfs/dbraw/zinc/09/19/72/398091972.db2.gz NDUZSYBGVYJWNJ-GHMZBOCLSA-N 1 2 237.303 0.367 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000280199514 398054296 /nfs/dbraw/zinc/05/42/96/398054296.db2.gz ADXBBLONRKSINB-XWRVAKJBSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000280199514 398054300 /nfs/dbraw/zinc/05/43/00/398054300.db2.gz ADXBBLONRKSINB-XWRVAKJBSA-N 1 2 227.333 0.751 20 0 BCADLO NC(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649711928 398055703 /nfs/dbraw/zinc/05/57/03/398055703.db2.gz WHQRFEFVOJODIK-UHFFFAOYSA-N 1 2 240.200 0.838 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000280524790 398056627 /nfs/dbraw/zinc/05/66/27/398056627.db2.gz XYHGASCBFKHQTD-SNVBAGLBSA-N 1 2 223.276 0.759 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292092027 398101035 /nfs/dbraw/zinc/10/10/35/398101035.db2.gz NUWUEKXDWJGRMQ-LBPRGKRZSA-N 1 2 237.303 0.776 20 0 BCADLO O=c1[nH]nc(C[NH2+]C2(C3CCC3)CC2)[nH]1 ZINC000649810745 398117791 /nfs/dbraw/zinc/11/77/91/398117791.db2.gz XJFCPJROFDLRPA-UHFFFAOYSA-N 1 2 208.265 0.933 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000194284759 398118073 /nfs/dbraw/zinc/11/80/73/398118073.db2.gz IFUXHLJXAZIOFT-QMMMGPOBSA-N 1 2 239.323 0.646 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)NC)CC(=O)OC ZINC000337240947 171310990 /nfs/dbraw/zinc/31/09/90/171310990.db2.gz NENNKODRSOIHNJ-QMMMGPOBSA-N 1 2 216.281 0.006 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)NC)CC(=O)OC ZINC000337240947 171310992 /nfs/dbraw/zinc/31/09/92/171310992.db2.gz NENNKODRSOIHNJ-QMMMGPOBSA-N 1 2 216.281 0.006 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCC[C@@H]2C)c[nH+]1 ZINC000293949630 398119037 /nfs/dbraw/zinc/11/90/37/398119037.db2.gz AHDAXCAREZQURI-QPUJVOFHSA-N 1 2 237.303 0.999 20 0 BCADLO COCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000309327601 398120689 /nfs/dbraw/zinc/12/06/89/398120689.db2.gz RNQCYOFKVJLHJE-UHFFFAOYSA-N 1 2 225.296 0.847 20 0 BCADLO COCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000309327601 398120690 /nfs/dbraw/zinc/12/06/90/398120690.db2.gz RNQCYOFKVJLHJE-UHFFFAOYSA-N 1 2 225.296 0.847 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523436089 398113460 /nfs/dbraw/zinc/11/34/60/398113460.db2.gz UBOFBSGPAATSOA-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523436089 398113463 /nfs/dbraw/zinc/11/34/63/398113463.db2.gz UBOFBSGPAATSOA-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000376539484 167054349 /nfs/dbraw/zinc/05/43/49/167054349.db2.gz HVVHQCFKAJOJGP-MWLCHTKSSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000376539484 167054351 /nfs/dbraw/zinc/05/43/51/167054351.db2.gz HVVHQCFKAJOJGP-MWLCHTKSSA-N 1 2 240.303 0.148 20 0 BCADLO COCC[C@@H](COC)[NH2+]Cc1ccn[nH]1 ZINC000336696549 174391206 /nfs/dbraw/zinc/39/12/06/174391206.db2.gz NZOWBRCXMLLEKJ-JTQLQIEISA-N 1 2 213.281 0.551 20 0 BCADLO CC(C)NS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000272238306 167127500 /nfs/dbraw/zinc/12/75/00/167127500.db2.gz VZLXDCXLSPVDIT-UHFFFAOYSA-N 1 2 246.336 0.106 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000685585372 487559373 /nfs/dbraw/zinc/55/93/73/487559373.db2.gz XPSXUVCYDJXTFX-VXNVDRBHSA-N 1 2 238.291 0.636 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000685585372 487559376 /nfs/dbraw/zinc/55/93/76/487559376.db2.gz XPSXUVCYDJXTFX-VXNVDRBHSA-N 1 2 238.291 0.636 20 0 BCADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CCO[C@@H]1C1CC1 ZINC000680312908 487560283 /nfs/dbraw/zinc/56/02/83/487560283.db2.gz UJBUQSVMIJTKFO-OLZOCXBDSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCNC(N)=O)[nH+]1 ZINC000674337638 487561773 /nfs/dbraw/zinc/56/17/73/487561773.db2.gz RRKNBYUICSCZRX-UHFFFAOYSA-N 1 2 234.263 0.347 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000527021861 487567112 /nfs/dbraw/zinc/56/71/12/487567112.db2.gz SQHFJLRMLGODKN-JZYVYDRUSA-N 1 2 221.260 0.103 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000527021861 487567114 /nfs/dbraw/zinc/56/71/14/487567114.db2.gz SQHFJLRMLGODKN-JZYVYDRUSA-N 1 2 221.260 0.103 20 0 BCADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464599 487579595 /nfs/dbraw/zinc/57/95/95/487579595.db2.gz BSVZQPKONGWOAX-DTORHVGOSA-N 1 2 241.291 0.121 20 0 BCADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464599 487579600 /nfs/dbraw/zinc/57/96/00/487579600.db2.gz BSVZQPKONGWOAX-DTORHVGOSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000674464957 487580404 /nfs/dbraw/zinc/58/04/04/487580404.db2.gz LMWXKLVFYGDMPF-DTORHVGOSA-N 1 2 226.276 0.165 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000674464957 487580412 /nfs/dbraw/zinc/58/04/12/487580412.db2.gz LMWXKLVFYGDMPF-DTORHVGOSA-N 1 2 226.276 0.165 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000672156414 487584450 /nfs/dbraw/zinc/58/44/50/487584450.db2.gz OGTQQRKFNDUONW-MFKMUULPSA-N 1 2 249.314 0.741 20 0 BCADLO COCc1nc(C[NH2+][C@@H](COC)C(C)C)no1 ZINC000680395862 487584528 /nfs/dbraw/zinc/58/45/28/487584528.db2.gz DLBZSZNYRQNFRJ-VIFPVBQESA-N 1 2 243.307 0.977 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674495644 487586790 /nfs/dbraw/zinc/58/67/90/487586790.db2.gz MUOWEBCYIYZEHL-PHIMTYICSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674495644 487586797 /nfs/dbraw/zinc/58/67/97/487586797.db2.gz MUOWEBCYIYZEHL-PHIMTYICSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)OC[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000070199155 167262222 /nfs/dbraw/zinc/26/22/22/167262222.db2.gz BNGACQNZDVUAQH-NSHDSACASA-N 1 2 239.319 0.485 20 0 BCADLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(F)F ZINC000671486265 487592762 /nfs/dbraw/zinc/59/27/62/487592762.db2.gz QMVMURYDDOYLIW-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@@H]1C[C@H](OC)C[N@H+]1CC(F)F ZINC000671486265 487592768 /nfs/dbraw/zinc/59/27/68/487592768.db2.gz QMVMURYDDOYLIW-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO O=C(c1nccs1)N1CCn2c[nH+]cc2C1 ZINC000685909026 487593654 /nfs/dbraw/zinc/59/36/54/487593654.db2.gz GRBWGUCFHRUANM-UHFFFAOYSA-N 1 2 234.284 0.996 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000894465124 583465368 /nfs/dbraw/zinc/46/53/68/583465368.db2.gz SYKHLVNLIFULIU-ZCFIWIBFSA-N 1 2 248.124 0.985 20 0 BCADLO CC(C)SCC[N@H+](C)Cc1nnnn1C ZINC000336698806 167323579 /nfs/dbraw/zinc/32/35/79/167323579.db2.gz ORYNJOZGZHMBLD-UHFFFAOYSA-N 1 2 229.353 0.784 20 0 BCADLO CC(C)SCC[N@@H+](C)Cc1nnnn1C ZINC000336698806 167323582 /nfs/dbraw/zinc/32/35/82/167323582.db2.gz ORYNJOZGZHMBLD-UHFFFAOYSA-N 1 2 229.353 0.784 20 0 BCADLO Cc1noc(C[N@H+](C)CCC[C@@H](C)O)n1 ZINC000653887941 487608956 /nfs/dbraw/zinc/60/89/56/487608956.db2.gz CBYJFEHSRCOPCA-MRVPVSSYSA-N 1 2 213.281 0.971 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC[C@@H](C)O)n1 ZINC000653887941 487608949 /nfs/dbraw/zinc/60/89/49/487608949.db2.gz CBYJFEHSRCOPCA-MRVPVSSYSA-N 1 2 213.281 0.971 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000660692318 409558033 /nfs/dbraw/zinc/55/80/33/409558033.db2.gz OAMNKHYDVMNHAC-DTWKUNHWSA-N 1 2 200.257 0.651 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000660692318 409558040 /nfs/dbraw/zinc/55/80/40/409558040.db2.gz OAMNKHYDVMNHAC-DTWKUNHWSA-N 1 2 200.257 0.651 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000653890798 487610190 /nfs/dbraw/zinc/61/01/90/487610190.db2.gz NQYCUXFIYPFEOX-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000653890798 487610192 /nfs/dbraw/zinc/61/01/92/487610192.db2.gz NQYCUXFIYPFEOX-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC1(C)C ZINC000662345658 409660660 /nfs/dbraw/zinc/66/06/60/409660660.db2.gz KKACYTVIMQCLDS-SSDOTTSWSA-N 1 2 210.281 0.988 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC1(C)C ZINC000662345658 409660666 /nfs/dbraw/zinc/66/06/66/409660666.db2.gz KKACYTVIMQCLDS-SSDOTTSWSA-N 1 2 210.281 0.988 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2[nH]cc[nH+]2)C1 ZINC000660731167 409675370 /nfs/dbraw/zinc/67/53/70/409675370.db2.gz BAENISQXZFOYIN-UHFFFAOYSA-N 1 2 229.305 0.029 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C(F)(F)F ZINC000660843674 409838710 /nfs/dbraw/zinc/83/87/10/409838710.db2.gz BTVZOTCYNVXWTA-BYPYZUCNSA-N 1 2 241.169 0.130 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C(F)(F)F ZINC000660843674 409838715 /nfs/dbraw/zinc/83/87/15/409838715.db2.gz BTVZOTCYNVXWTA-BYPYZUCNSA-N 1 2 241.169 0.130 20 0 BCADLO CO[C@@H](C[N@@H+]1CCn2nncc2C1)C1CCC1 ZINC000660924624 409970436 /nfs/dbraw/zinc/97/04/36/409970436.db2.gz XPNZFNGZXZRCRQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@H](C[N@H+]1CCn2nncc2C1)C1CCC1 ZINC000660924624 409970442 /nfs/dbraw/zinc/97/04/42/409970442.db2.gz XPNZFNGZXZRCRQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000660926620 409973228 /nfs/dbraw/zinc/97/32/28/409973228.db2.gz QIDADGOEOYTCFB-VIFPVBQESA-N 1 2 229.280 0.471 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000660926620 409973232 /nfs/dbraw/zinc/97/32/32/409973232.db2.gz QIDADGOEOYTCFB-VIFPVBQESA-N 1 2 229.280 0.471 20 0 BCADLO Cc1nc(C[NH+]2CCC(O)CC2)[nH]c1C ZINC000628120365 410022167 /nfs/dbraw/zinc/02/21/67/410022167.db2.gz KBVFWUSEJQWVCB-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]c(CN2CCC(O)CC2)[nH+]c1C ZINC000628120365 410022171 /nfs/dbraw/zinc/02/21/71/410022171.db2.gz KBVFWUSEJQWVCB-UHFFFAOYSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1ccc(N(C)CC[NH+]2CCOCC2)nn1 ZINC000663527920 410286633 /nfs/dbraw/zinc/28/66/33/410286633.db2.gz AHMLLZPZYNUBFZ-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO C[C@@H](CF)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661185914 410327065 /nfs/dbraw/zinc/32/70/65/410327065.db2.gz MJCMHRKATYXMCS-ZETCQYMHSA-N 1 2 214.244 0.909 20 0 BCADLO C[C@@H](CF)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661185914 410327069 /nfs/dbraw/zinc/32/70/69/410327069.db2.gz MJCMHRKATYXMCS-ZETCQYMHSA-N 1 2 214.244 0.909 20 0 BCADLO CCN(CC)C(=O)COCc1[nH]cc[nH+]1 ZINC000123805615 169749484 /nfs/dbraw/zinc/74/94/84/169749484.db2.gz TXGROBZYNOYANV-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1cnn(C)c1N ZINC000680576825 487616868 /nfs/dbraw/zinc/61/68/68/487616868.db2.gz MGOXPFGTAZRBBG-UHFFFAOYSA-N 1 2 247.258 0.658 20 0 BCADLO O[C@@H]1CC[N@H+](CC2(O)CCCC2)CC1(F)F ZINC000661401886 410615599 /nfs/dbraw/zinc/61/55/99/410615599.db2.gz RRYHULFISRCBIV-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO O[C@@H]1CC[N@@H+](CC2(O)CCCC2)CC1(F)F ZINC000661401886 410615605 /nfs/dbraw/zinc/61/56/05/410615605.db2.gz RRYHULFISRCBIV-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO Nc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000647538973 410638374 /nfs/dbraw/zinc/63/83/74/410638374.db2.gz PRFSTTCRDYLLQT-PHIMTYICSA-N 1 2 235.287 0.263 20 0 BCADLO Nc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000647538973 410638378 /nfs/dbraw/zinc/63/83/78/410638378.db2.gz PRFSTTCRDYLLQT-PHIMTYICSA-N 1 2 235.287 0.263 20 0 BCADLO COCCc1noc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000182231106 410686906 /nfs/dbraw/zinc/68/69/06/410686906.db2.gz NIKZWGGFHSUTLR-SECBINFHSA-N 1 2 243.307 0.725 20 0 BCADLO COCCc1noc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000182231106 410686913 /nfs/dbraw/zinc/68/69/13/410686913.db2.gz NIKZWGGFHSUTLR-SECBINFHSA-N 1 2 243.307 0.725 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000367871314 167052752 /nfs/dbraw/zinc/05/27/52/167052752.db2.gz CHHAFHOPIXVFGN-LLVKDONJSA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000367871314 167052754 /nfs/dbraw/zinc/05/27/54/167052754.db2.gz CHHAFHOPIXVFGN-LLVKDONJSA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854411 167053839 /nfs/dbraw/zinc/05/38/39/167053839.db2.gz MPPKDHFXTPYVKJ-UHFFFAOYSA-N 1 2 222.292 0.292 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000118854411 167053841 /nfs/dbraw/zinc/05/38/41/167053841.db2.gz MPPKDHFXTPYVKJ-UHFFFAOYSA-N 1 2 222.292 0.292 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000289644400 167059605 /nfs/dbraw/zinc/05/96/05/167059605.db2.gz HEZWFFNRYBEWKV-UHFFFAOYSA-N 1 2 239.323 0.473 20 0 BCADLO CC(C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000290744769 167070890 /nfs/dbraw/zinc/07/08/90/167070890.db2.gz XMTDMKGDFFHIIY-UHFFFAOYSA-N 1 2 208.265 0.817 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000345351905 167082165 /nfs/dbraw/zinc/08/21/65/167082165.db2.gz OUPTWUHGIYCSQD-NXEZZACHSA-N 1 2 236.319 0.831 20 0 BCADLO CC(C)NS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000272232434 167123680 /nfs/dbraw/zinc/12/36/80/167123680.db2.gz UZBPUHANGYECJB-UHFFFAOYSA-N 1 2 246.336 0.095 20 0 BCADLO CC(C)OCCNC(=O)CCc1c[nH+]cn1C ZINC000339171906 167236648 /nfs/dbraw/zinc/23/66/48/167236648.db2.gz WKQGOTVBZDSVJF-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CC(C)OC[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000070199154 167269700 /nfs/dbraw/zinc/26/97/00/167269700.db2.gz BNGACQNZDVUAQH-LLVKDONJSA-N 1 2 239.319 0.485 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000651410334 410992661 /nfs/dbraw/zinc/99/26/61/410992661.db2.gz QRXFZETZZYOIBB-WDEREUQCSA-N 1 2 249.314 0.940 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC000651412860 410996774 /nfs/dbraw/zinc/99/67/74/410996774.db2.gz FVDNEWGQCGTLME-OCAPTIKFSA-N 1 2 245.286 0.942 20 0 BCADLO C[C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651517811 411076758 /nfs/dbraw/zinc/07/67/58/411076758.db2.gz AZLWNARIOYGROM-NXEZZACHSA-N 1 2 225.292 0.579 20 0 BCADLO C[C@H](CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651521293 411078474 /nfs/dbraw/zinc/07/84/74/411078474.db2.gz IWSBZJUKZRNMER-ZJUUUORDSA-N 1 2 225.292 0.721 20 0 BCADLO Cc1nn(C)cc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000408165548 411143228 /nfs/dbraw/zinc/14/32/28/411143228.db2.gz SJDGLBVVCGADQB-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO COC[C@H](CC(C)(C)C)[NH2+]Cc1nnn(C)n1 ZINC000651788960 411143885 /nfs/dbraw/zinc/14/38/85/411143885.db2.gz VYDNWMTZQGRSGW-VIFPVBQESA-N 1 2 241.339 0.751 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636504 411153212 /nfs/dbraw/zinc/15/32/12/411153212.db2.gz AVHTWKVDKFTLLS-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000653636504 411153214 /nfs/dbraw/zinc/15/32/14/411153214.db2.gz AVHTWKVDKFTLLS-BDAKNGLRSA-N 1 2 248.273 0.215 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000659985325 411154808 /nfs/dbraw/zinc/15/48/08/411154808.db2.gz HHMSOEHPHVBBTE-KWQFWETISA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000659985325 411154814 /nfs/dbraw/zinc/15/48/14/411154814.db2.gz HHMSOEHPHVBBTE-KWQFWETISA-N 1 2 224.308 0.885 20 0 BCADLO CC1(C)C[C@@H]([N@@H+]2CCN(C3CC3)C(=O)C2)CO1 ZINC000659986118 411156918 /nfs/dbraw/zinc/15/69/18/411156918.db2.gz VOFOOMWBGWVOPT-LLVKDONJSA-N 1 2 238.331 0.861 20 0 BCADLO CC1(C)C[C@@H]([N@H+]2CCN(C3CC3)C(=O)C2)CO1 ZINC000659986118 411156922 /nfs/dbraw/zinc/15/69/22/411156922.db2.gz VOFOOMWBGWVOPT-LLVKDONJSA-N 1 2 238.331 0.861 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn[nH]c1C ZINC000651950534 411161056 /nfs/dbraw/zinc/16/10/56/411161056.db2.gz CPCBGZWGUKLKNE-GHMZBOCLSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cn[nH]c1C ZINC000651950534 411161059 /nfs/dbraw/zinc/16/10/59/411161059.db2.gz CPCBGZWGUKLKNE-GHMZBOCLSA-N 1 2 225.292 0.300 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000110688172 411118408 /nfs/dbraw/zinc/11/84/08/411118408.db2.gz SJDMEUONIVEBHC-JTQLQIEISA-N 1 2 234.303 0.374 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000110688172 411118410 /nfs/dbraw/zinc/11/84/10/411118410.db2.gz SJDMEUONIVEBHC-JTQLQIEISA-N 1 2 234.303 0.374 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777551 411171848 /nfs/dbraw/zinc/17/18/48/411171848.db2.gz OUXUPEFQDMSEME-MXWKQRLJSA-N 1 2 235.287 0.399 20 0 BCADLO C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC(=O)N1C ZINC000660483374 411242942 /nfs/dbraw/zinc/24/29/42/411242942.db2.gz OTIMTUORABSGBW-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC(=O)N1C ZINC000660483374 411242944 /nfs/dbraw/zinc/24/29/44/411242944.db2.gz OTIMTUORABSGBW-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO COc1c(C)[nH+]cnc1N1CCOCC1 ZINC000656103729 411178951 /nfs/dbraw/zinc/17/89/51/411178951.db2.gz CIYBXSURYZLCRE-UHFFFAOYSA-N 1 2 209.249 0.630 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1nnc(C)o1 ZINC000656110121 411180793 /nfs/dbraw/zinc/18/07/93/411180793.db2.gz VHLISOZXTXKHLV-UHFFFAOYSA-N 1 2 236.235 0.371 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1nnc(C)o1 ZINC000656110121 411180796 /nfs/dbraw/zinc/18/07/96/411180796.db2.gz VHLISOZXTXKHLV-UHFFFAOYSA-N 1 2 236.235 0.371 20 0 BCADLO COc1c(C)[nH+]cnc1NCC[C@H](C)O ZINC000656126414 411183271 /nfs/dbraw/zinc/18/32/71/411183271.db2.gz HMINYGJGNBYYGF-ZETCQYMHSA-N 1 2 211.265 0.976 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@@H](O)C1CC1 ZINC000656139969 411185297 /nfs/dbraw/zinc/18/52/97/411185297.db2.gz LZUMINCOPMMDIN-MRVPVSSYSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@@H](O)C1CC1 ZINC000656139969 411185300 /nfs/dbraw/zinc/18/53/00/411185300.db2.gz LZUMINCOPMMDIN-MRVPVSSYSA-N 1 2 238.291 0.275 20 0 BCADLO COCC1(CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000401266645 411187180 /nfs/dbraw/zinc/18/71/80/411187180.db2.gz JBKWGNYQEPFCMJ-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO COCC1(CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000401266645 411187182 /nfs/dbraw/zinc/18/71/82/411187182.db2.gz JBKWGNYQEPFCMJ-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cc(C)ncn1 ZINC000656150369 411187472 /nfs/dbraw/zinc/18/74/72/411187472.db2.gz FKHHOZRTICLMRD-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cc(C)ncn1 ZINC000656150369 411187475 /nfs/dbraw/zinc/18/74/75/411187475.db2.gz FKHHOZRTICLMRD-UHFFFAOYSA-N 1 2 246.274 0.778 20 0 BCADLO C[C@H]1OCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653695313 411187647 /nfs/dbraw/zinc/18/76/47/411187647.db2.gz KCHJRZIJANREQM-RKDXNWHRSA-N 1 2 239.323 0.695 20 0 BCADLO Cc1nnc(NC[C@H](C)Cn2cc[nH+]c2)nc1C ZINC000359588489 411189445 /nfs/dbraw/zinc/18/94/45/411189445.db2.gz KUOFNBIKHOFIGN-VIFPVBQESA-N 1 2 246.318 1.433 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(F)(F)CO ZINC000656161576 411190000 /nfs/dbraw/zinc/19/00/00/411190000.db2.gz CAKZRIUKMAQYBD-UHFFFAOYSA-N 1 2 233.218 0.833 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1(CO)CCC1 ZINC000656159255 411190563 /nfs/dbraw/zinc/19/05/63/411190563.db2.gz UPCSZKNKHLAGJG-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1(CO)CCC1 ZINC000656159255 411190566 /nfs/dbraw/zinc/19/05/66/411190566.db2.gz UPCSZKNKHLAGJG-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COc1c(C)[nH+]cnc1NC1COCCOC1 ZINC000656189326 411197585 /nfs/dbraw/zinc/19/75/85/411197585.db2.gz NKCNUHMVYMGTMJ-UHFFFAOYSA-N 1 2 239.275 0.621 20 0 BCADLO CCN(CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000653861867 411201134 /nfs/dbraw/zinc/20/11/34/411201134.db2.gz GCOBRQNCIBLSNM-UHFFFAOYSA-N 1 2 238.335 0.579 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCO1 ZINC000653875219 411205462 /nfs/dbraw/zinc/20/54/62/411205462.db2.gz RQCDGJXKBDNAKU-ZJUUUORDSA-N 1 2 239.323 0.647 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCCO1 ZINC000653875688 411205587 /nfs/dbraw/zinc/20/55/87/411205587.db2.gz YIFROCNYFJAFEH-RKDXNWHRSA-N 1 2 240.307 0.948 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CCN(C)C(=O)C1 ZINC000335148163 167780026 /nfs/dbraw/zinc/78/00/26/167780026.db2.gz TWRNPSSLSJHJHI-UHFFFAOYSA-N 1 2 236.319 0.738 20 0 BCADLO C[NH+](C)Cc1nc(COC[C@@H]2CCCO2)no1 ZINC000647722905 411245803 /nfs/dbraw/zinc/24/58/03/411245803.db2.gz NTRSFVFNFAZWHK-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000653902210 411218016 /nfs/dbraw/zinc/21/80/16/411218016.db2.gz NLBZIHGMSMEMHT-SECBINFHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000653902210 411218018 /nfs/dbraw/zinc/21/80/18/411218018.db2.gz NLBZIHGMSMEMHT-SECBINFHSA-N 1 2 242.298 0.593 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc2n(n1)CCC2 ZINC000658052576 411220163 /nfs/dbraw/zinc/22/01/63/411220163.db2.gz MEINXTOZHXKSPA-WPRPVWTQSA-N 1 2 234.303 0.368 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CCn2nncc2C1 ZINC000656267807 411222456 /nfs/dbraw/zinc/22/24/56/411222456.db2.gz ZTYVWSHQQPKZHX-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CCn2nncc2C1 ZINC000656267807 411222458 /nfs/dbraw/zinc/22/24/58/411222458.db2.gz ZTYVWSHQQPKZHX-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CO[C@](C)(CO)C[NH2+]Cc1csnn1 ZINC000656268049 411222468 /nfs/dbraw/zinc/22/24/68/411222468.db2.gz VKBAEHPIUSBYPE-QMMMGPOBSA-N 1 2 217.294 0.025 20 0 BCADLO C[C@H](NS(=O)(=O)C1CC1)c1[nH+]ccn1C ZINC000660105075 411231746 /nfs/dbraw/zinc/23/17/46/411231746.db2.gz VRIBBFAFRNIJGO-ZETCQYMHSA-N 1 2 229.305 0.563 20 0 BCADLO O[C@@]1(C[N@@H+]2CCc3cn[nH]c3C2)CCCOC1 ZINC000660118141 411236996 /nfs/dbraw/zinc/23/69/96/411236996.db2.gz ADNDJRNFGINTPW-GFCCVEGCSA-N 1 2 237.303 0.309 20 0 BCADLO O[C@@]1(C[N@H+]2CCc3cn[nH]c3C2)CCCOC1 ZINC000660118141 411236999 /nfs/dbraw/zinc/23/69/99/411236999.db2.gz ADNDJRNFGINTPW-GFCCVEGCSA-N 1 2 237.303 0.309 20 0 BCADLO Cc1cc(NCC2=CCOCC2)nc[nH+]1 ZINC000397720971 411240906 /nfs/dbraw/zinc/24/09/06/411240906.db2.gz KAZZNIMUZVTGMG-UHFFFAOYSA-N 1 2 205.261 1.544 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](CCO)C2)[nH]1 ZINC000309409148 411241746 /nfs/dbraw/zinc/24/17/46/411241746.db2.gz WIMPXAPNIWZHDN-SNVBAGLBSA-N 1 2 224.308 0.708 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](CCO)C2)[nH]1 ZINC000309409148 411241749 /nfs/dbraw/zinc/24/17/49/411241749.db2.gz WIMPXAPNIWZHDN-SNVBAGLBSA-N 1 2 224.308 0.708 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000653775682 411166522 /nfs/dbraw/zinc/16/65/22/411166522.db2.gz DRYSIRDDKJHACL-UHFFFAOYSA-N 1 2 239.275 0.445 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000653775682 411166525 /nfs/dbraw/zinc/16/65/25/411166525.db2.gz DRYSIRDDKJHACL-UHFFFAOYSA-N 1 2 239.275 0.445 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408187323 411167126 /nfs/dbraw/zinc/16/71/26/411167126.db2.gz MHSMKLGLXDATHW-HOSYDEDBSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408187323 411167131 /nfs/dbraw/zinc/16/71/31/411167131.db2.gz MHSMKLGLXDATHW-HOSYDEDBSA-N 1 2 242.319 0.001 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](COC)C2CC2)n1 ZINC000658157487 411271063 /nfs/dbraw/zinc/27/10/63/411271063.db2.gz BMECJXOSNYHDLI-SECBINFHSA-N 1 2 240.307 0.466 20 0 BCADLO COCc1nnc(C[NH2+][C@H](COC)C2CC2)[nH]1 ZINC000658157487 411271064 /nfs/dbraw/zinc/27/10/64/411271064.db2.gz BMECJXOSNYHDLI-SECBINFHSA-N 1 2 240.307 0.466 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2COC(C)(C)C2)n1 ZINC000658157906 411271116 /nfs/dbraw/zinc/27/11/16/411271116.db2.gz UZWMYUJLRUGADF-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2COC(C)(C)C2)[nH]1 ZINC000658157906 411271117 /nfs/dbraw/zinc/27/11/17/411271117.db2.gz UZWMYUJLRUGADF-QMMMGPOBSA-N 1 2 240.307 0.608 20 0 BCADLO CC[C@@H](COC)[NH2+]Cc1nc(COC)n[nH]1 ZINC000658159219 411272289 /nfs/dbraw/zinc/27/22/89/411272289.db2.gz NXGWITKUGHWDPW-QMMMGPOBSA-N 1 2 228.296 0.466 20 0 BCADLO CC[C@@H](COC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159219 411272292 /nfs/dbraw/zinc/27/22/92/411272292.db2.gz NXGWITKUGHWDPW-QMMMGPOBSA-N 1 2 228.296 0.466 20 0 BCADLO CCOC[C@H](C)[NH2+]Cc1nc(COC)n[nH]1 ZINC000658159885 411273139 /nfs/dbraw/zinc/27/31/39/411273139.db2.gz SVOGPYZQLGBUGW-QMMMGPOBSA-N 1 2 228.296 0.466 20 0 BCADLO CCOC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159885 411273142 /nfs/dbraw/zinc/27/31/42/411273142.db2.gz SVOGPYZQLGBUGW-QMMMGPOBSA-N 1 2 228.296 0.466 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1C[C@@H](O)C1 ZINC000652564516 411273247 /nfs/dbraw/zinc/27/32/47/411273247.db2.gz YACKJKSBRHGGQL-AOOOYVTPSA-N 1 2 246.270 0.979 20 0 BCADLO C[C@@H]1C[C@@H](O)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000401658512 411273650 /nfs/dbraw/zinc/27/36/50/411273650.db2.gz TXYLJZCUVAJBEN-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1C[C@@H](O)CN(c2[nH+]cnc(N)c2Cl)C1 ZINC000401658512 411273651 /nfs/dbraw/zinc/27/36/51/411273651.db2.gz TXYLJZCUVAJBEN-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1nc(NCCO[C@H]2CC2(F)F)nc(N)[nH+]1 ZINC000631357563 411276554 /nfs/dbraw/zinc/27/65/54/411276554.db2.gz VVFDOHLUWMHJRO-LURJTMIESA-N 1 2 245.233 0.020 20 0 BCADLO Cc1nc(N)nc(NCCO[C@H]2CC2(F)F)[nH+]1 ZINC000631357563 411276556 /nfs/dbraw/zinc/27/65/56/411276556.db2.gz VVFDOHLUWMHJRO-LURJTMIESA-N 1 2 245.233 0.020 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1cnccn1 ZINC000660169599 411277599 /nfs/dbraw/zinc/27/75/99/411277599.db2.gz PGYVRHQMEOGUFR-UHFFFAOYSA-N 1 2 238.291 0.383 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1cnccn1 ZINC000660169599 411277601 /nfs/dbraw/zinc/27/76/01/411277601.db2.gz PGYVRHQMEOGUFR-UHFFFAOYSA-N 1 2 238.291 0.383 20 0 BCADLO CCC1(Cn2cc(Cn3cc[nH+]c3)nn2)COC1 ZINC000656465669 411278547 /nfs/dbraw/zinc/27/85/47/411278547.db2.gz GBPONPZPKRCESF-UHFFFAOYSA-N 1 2 247.302 0.950 20 0 BCADLO Cc1nc(N2CCO[C@@H](CCF)C2)nc(N)[nH+]1 ZINC000631391999 411282965 /nfs/dbraw/zinc/28/29/65/411282965.db2.gz ULZDLWWCMOAXEB-QMMMGPOBSA-N 1 2 241.270 0.327 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](CCF)C2)[nH+]1 ZINC000631391999 411282968 /nfs/dbraw/zinc/28/29/68/411282968.db2.gz ULZDLWWCMOAXEB-QMMMGPOBSA-N 1 2 241.270 0.327 20 0 BCADLO Cc1nc(N2CCO[C@@H](C3CCC3)C2)nc(N)[nH+]1 ZINC000631299853 411283317 /nfs/dbraw/zinc/28/33/17/411283317.db2.gz PZOFOOPSTUFYKL-SNVBAGLBSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C3CCC3)C2)[nH+]1 ZINC000631299853 411283319 /nfs/dbraw/zinc/28/33/19/411283319.db2.gz PZOFOOPSTUFYKL-SNVBAGLBSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N[C@@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000631181024 411283403 /nfs/dbraw/zinc/28/34/03/411283403.db2.gz LRKDQKGXAFGWGC-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)CC2CC2)[nH+]1 ZINC000631181024 411283406 /nfs/dbraw/zinc/28/34/06/411283406.db2.gz LRKDQKGXAFGWGC-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N2CCC[C@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631175319 411283723 /nfs/dbraw/zinc/28/37/23/411283723.db2.gz MPJSAJGQGWQOLV-CBAPKCEASA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]([C@H](C)O)C2)[nH+]1 ZINC000631175319 411283727 /nfs/dbraw/zinc/28/37/27/411283727.db2.gz MPJSAJGQGWQOLV-CBAPKCEASA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CCC(=O)N2)no1 ZINC000649559036 411290398 /nfs/dbraw/zinc/29/03/98/411290398.db2.gz MTWSRHOAXMUKPT-QMMMGPOBSA-N 1 2 238.291 0.481 20 0 BCADLO Cc1cncc(CC[NH+]2CCOCC2)n1 ZINC000402751947 411313159 /nfs/dbraw/zinc/31/31/59/411313159.db2.gz LRQQBKATGDZBPX-UHFFFAOYSA-N 1 2 207.277 0.660 20 0 BCADLO C[N@H+](CCO)Cc1cn(-c2cccnc2)nn1 ZINC000656437242 411248690 /nfs/dbraw/zinc/24/86/90/411248690.db2.gz YXXXYWVMTURETR-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO C[N@@H+](CCO)Cc1cn(-c2cccnc2)nn1 ZINC000656437242 411248691 /nfs/dbraw/zinc/24/86/91/411248691.db2.gz YXXXYWVMTURETR-UHFFFAOYSA-N 1 2 233.275 0.086 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1Cc1ccccc1 ZINC000656432111 411250098 /nfs/dbraw/zinc/25/00/98/411250098.db2.gz ZGQGHYRUODLZKI-CYBMUJFWSA-N 1 2 244.298 0.987 20 0 BCADLO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)on1 ZINC000660134310 411251927 /nfs/dbraw/zinc/25/19/27/411251927.db2.gz OSIHROHJJDGRPU-QMMMGPOBSA-N 1 2 225.248 0.004 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)on1 ZINC000660134310 411251929 /nfs/dbraw/zinc/25/19/29/411251929.db2.gz OSIHROHJJDGRPU-QMMMGPOBSA-N 1 2 225.248 0.004 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000656446232 411255210 /nfs/dbraw/zinc/25/52/10/411255210.db2.gz OVYUOYMKIUGNQN-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000656446232 411255212 /nfs/dbraw/zinc/25/52/12/411255212.db2.gz OVYUOYMKIUGNQN-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1COCCO1 ZINC000660141387 411255801 /nfs/dbraw/zinc/25/58/01/411255801.db2.gz FIKCNPDYRIXQCJ-SECBINFHSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1COCCO1 ZINC000660141387 411255804 /nfs/dbraw/zinc/25/58/04/411255804.db2.gz FIKCNPDYRIXQCJ-SECBINFHSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1COCCO1 ZINC000660141387 411255808 /nfs/dbraw/zinc/25/58/08/411255808.db2.gz FIKCNPDYRIXQCJ-SECBINFHSA-N 1 2 211.265 0.257 20 0 BCADLO CC(C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000656440201 411257895 /nfs/dbraw/zinc/25/78/95/411257895.db2.gz OBPRVIINBOTAEQ-UHFFFAOYSA-N 1 2 224.308 0.734 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660261963 411349989 /nfs/dbraw/zinc/34/99/89/411349989.db2.gz CDFXNWRQDMXYHB-BDAKNGLRSA-N 1 2 240.307 0.815 20 0 BCADLO CCc1nn(C)cc1C[NH+]1CC(O)(COC)C1 ZINC000656816394 411374213 /nfs/dbraw/zinc/37/42/13/411374213.db2.gz RZRYLTFTKJHOJE-UHFFFAOYSA-N 1 2 239.319 0.176 20 0 BCADLO Nc1cc(C[N@@H+]2CC3CC2(C(=O)[O-])C3)cc[nH+]1 ZINC000656759881 411354459 /nfs/dbraw/zinc/35/44/59/411354459.db2.gz JOVSIMCVBFZPJG-UHFFFAOYSA-N 1 2 233.271 0.713 20 0 BCADLO Nc1cc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cc[nH+]1 ZINC000656759881 411354462 /nfs/dbraw/zinc/35/44/62/411354462.db2.gz JOVSIMCVBFZPJG-UHFFFAOYSA-N 1 2 233.271 0.713 20 0 BCADLO Cc1nnc([C@H](C)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000660584398 411338909 /nfs/dbraw/zinc/33/89/09/411338909.db2.gz SJTZYEDJIJMJQK-QMMMGPOBSA-N 1 2 232.291 0.886 20 0 BCADLO CO[C@H](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660587548 411340758 /nfs/dbraw/zinc/34/07/58/411340758.db2.gz CHYTVCJVNGQTDM-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CO[C@H](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660587548 411340764 /nfs/dbraw/zinc/34/07/64/411340764.db2.gz CHYTVCJVNGQTDM-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO CNC(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000653764257 411344196 /nfs/dbraw/zinc/34/41/96/411344196.db2.gz SMIYXISMZIKQHM-UHFFFAOYSA-N 1 2 210.277 0.320 20 0 BCADLO CNC(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000653764257 411344198 /nfs/dbraw/zinc/34/41/98/411344198.db2.gz SMIYXISMZIKQHM-UHFFFAOYSA-N 1 2 210.277 0.320 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281670768 168000081 /nfs/dbraw/zinc/00/00/81/168000081.db2.gz TVCWUMQDJUBQTO-UWVGGRQHSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281670768 168000082 /nfs/dbraw/zinc/00/00/82/168000082.db2.gz TVCWUMQDJUBQTO-UWVGGRQHSA-N 1 2 237.303 0.618 20 0 BCADLO CC1(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000357783975 168032813 /nfs/dbraw/zinc/03/28/13/168032813.db2.gz FQEGFBDBVUGGRS-UHFFFAOYSA-N 1 2 222.292 0.982 20 0 BCADLO CCN1CC[C@H]([NH+]2CCN(C3CC3)CC2)C1=O ZINC000659857515 411348345 /nfs/dbraw/zinc/34/83/45/411348345.db2.gz OYZPMHUPUWOCEJ-LBPRGKRZSA-N 1 2 237.347 0.387 20 0 BCADLO CC1(O)CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000089644622 168068459 /nfs/dbraw/zinc/06/84/59/168068459.db2.gz JWGWHAMWXCEQHA-UHFFFAOYSA-N 1 2 245.282 0.470 20 0 BCADLO CC1(O)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000277852796 168069831 /nfs/dbraw/zinc/06/98/31/168069831.db2.gz ZOGJLZFAIRZWGB-UHFFFAOYSA-N 1 2 231.255 0.541 20 0 BCADLO CC1=CCN(C(=O)[C@@H]2COCC[N@H+]2C)CC1 ZINC000335937725 168107463 /nfs/dbraw/zinc/10/74/63/168107463.db2.gz FHVNEOWBGZHOQK-NSHDSACASA-N 1 2 224.304 0.496 20 0 BCADLO CC1=CCN(C(=O)[C@@H]2COCC[N@@H+]2C)CC1 ZINC000335937725 168107466 /nfs/dbraw/zinc/10/74/66/168107466.db2.gz FHVNEOWBGZHOQK-NSHDSACASA-N 1 2 224.304 0.496 20 0 BCADLO CC1=CC[N@H+](Cc2nc(N)nc(N)n2)CC1 ZINC000270375199 168115409 /nfs/dbraw/zinc/11/54/09/168115409.db2.gz UZDWESIKEXLVAU-UHFFFAOYSA-N 1 2 220.280 0.188 20 0 BCADLO CC1=CC[N@@H+](Cc2nc(N)nc(N)n2)CC1 ZINC000270375199 168115412 /nfs/dbraw/zinc/11/54/12/168115412.db2.gz UZDWESIKEXLVAU-UHFFFAOYSA-N 1 2 220.280 0.188 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000652962523 411374914 /nfs/dbraw/zinc/37/49/14/411374914.db2.gz NXFVNHMWIFGPIT-NSHDSACASA-N 1 2 239.319 0.893 20 0 BCADLO CCO[C@H]1CCC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000659943420 411388289 /nfs/dbraw/zinc/38/82/89/411388289.db2.gz UJRZNBBKRLPCEJ-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CCO[C@H]1CCC[N@H+]([C@H]2CON(CC)C2=O)C1 ZINC000659943420 411388291 /nfs/dbraw/zinc/38/82/91/411388291.db2.gz UJRZNBBKRLPCEJ-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO C[C@@H](C(=O)N1CC(C)C1)[NH+]1CCOCC1 ZINC000336513894 168188903 /nfs/dbraw/zinc/18/89/03/168188903.db2.gz ZCJCLAXLOQXXES-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@]3(CCOC3)C2)c1 ZINC000660298720 411390767 /nfs/dbraw/zinc/39/07/67/411390767.db2.gz WHGRHPQGMBSSHT-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000333529299 168221149 /nfs/dbraw/zinc/22/11/49/168221149.db2.gz XUPUCDJOFSQQLV-UHFFFAOYSA-N 1 2 208.265 0.421 20 0 BCADLO CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000330610446 168232081 /nfs/dbraw/zinc/23/20/81/168232081.db2.gz UMDOIYSUNYMJDS-SNVBAGLBSA-N 1 2 242.319 0.398 20 0 BCADLO CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000330610446 168232083 /nfs/dbraw/zinc/23/20/83/168232083.db2.gz UMDOIYSUNYMJDS-SNVBAGLBSA-N 1 2 242.319 0.398 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000330740690 168238286 /nfs/dbraw/zinc/23/82/86/168238286.db2.gz AVMUSWGEHMTMMU-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000330740690 168238288 /nfs/dbraw/zinc/23/82/88/168238288.db2.gz AVMUSWGEHMTMMU-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152047160 168263445 /nfs/dbraw/zinc/26/34/45/168263445.db2.gz PAPXAWMGBCTXMN-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152047160 168263448 /nfs/dbraw/zinc/26/34/48/168263448.db2.gz PAPXAWMGBCTXMN-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000332518003 168294369 /nfs/dbraw/zinc/29/43/69/168294369.db2.gz QEXULOTXVNWKLE-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000332518003 168294367 /nfs/dbraw/zinc/29/43/67/168294367.db2.gz QEXULOTXVNWKLE-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO O=C(C[NH2+]Cc1cn(C2CCC2)nn1)NC1CC1 ZINC000657304355 411456313 /nfs/dbraw/zinc/45/63/13/411456313.db2.gz FXQGRIWDMVXFQP-UHFFFAOYSA-N 1 2 249.318 0.371 20 0 BCADLO CC1(C)C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000659810851 411460016 /nfs/dbraw/zinc/46/00/16/411460016.db2.gz BPNFDITWJUTWKS-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CC1(C)C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000659810851 411460019 /nfs/dbraw/zinc/46/00/19/411460019.db2.gz BPNFDITWJUTWKS-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CCOCCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028474 411394482 /nfs/dbraw/zinc/39/44/82/411394482.db2.gz HXMMRUOSMYKAPI-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO CCOCCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028474 411394484 /nfs/dbraw/zinc/39/44/84/411394484.db2.gz HXMMRUOSMYKAPI-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO COC[C@@H](C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028476 411394664 /nfs/dbraw/zinc/39/46/64/411394664.db2.gz IOOOTZMHOMPJHJ-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO COC[C@@H](C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028476 411394665 /nfs/dbraw/zinc/39/46/65/411394665.db2.gz IOOOTZMHOMPJHJ-MRVPVSSYSA-N 1 2 247.320 0.206 20 0 BCADLO Nc1noc(CCNc2cccc[nH+]2)n1 ZINC000336676632 411396231 /nfs/dbraw/zinc/39/62/31/411396231.db2.gz AOGUFSLAXDBIID-UHFFFAOYSA-N 1 2 205.221 0.701 20 0 BCADLO COCc1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000126895530 411461063 /nfs/dbraw/zinc/46/10/63/411461063.db2.gz QGJAUQUDMRDXJD-UHFFFAOYSA-N 1 2 238.287 0.814 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000657094014 411406048 /nfs/dbraw/zinc/40/60/48/411406048.db2.gz YLLAFLXSKHPNCL-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000657094014 411406050 /nfs/dbraw/zinc/40/60/50/411406050.db2.gz YLLAFLXSKHPNCL-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654930266 411464545 /nfs/dbraw/zinc/46/45/45/411464545.db2.gz DKUDLTLIUBCJBM-UHFFFAOYSA-N 1 2 228.336 0.463 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc[nH]n1 ZINC000654540990 411410123 /nfs/dbraw/zinc/41/01/23/411410123.db2.gz UJKYLDKPIVFIBR-LURJTMIESA-N 1 2 220.236 0.345 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc[nH]n1 ZINC000654540990 411410125 /nfs/dbraw/zinc/41/01/25/411410125.db2.gz UJKYLDKPIVFIBR-LURJTMIESA-N 1 2 220.236 0.345 20 0 BCADLO CC(C)n1cnc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000652726119 411424501 /nfs/dbraw/zinc/42/45/01/411424501.db2.gz GZQPHNDRDPTRKI-UHFFFAOYSA-N 1 2 234.263 0.694 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000270006490 411426343 /nfs/dbraw/zinc/42/63/43/411426343.db2.gz JOKUNDLQDHLAAN-SECBINFHSA-N 1 2 223.276 0.311 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000270006490 411426346 /nfs/dbraw/zinc/42/63/46/411426346.db2.gz JOKUNDLQDHLAAN-SECBINFHSA-N 1 2 223.276 0.311 20 0 BCADLO COCC[NH+](CCOC)Cc1cc(OC)no1 ZINC000659818079 411462733 /nfs/dbraw/zinc/46/27/33/411462733.db2.gz LMKCGYRIUPFFKC-UHFFFAOYSA-N 1 2 244.291 0.778 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000122279827 411427850 /nfs/dbraw/zinc/42/78/50/411427850.db2.gz ZAELGSPPSASWBY-SECBINFHSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@H+]1CCCC[C@@H]1CO ZINC000122279827 411427852 /nfs/dbraw/zinc/42/78/52/411427852.db2.gz ZAELGSPPSASWBY-SECBINFHSA-N 1 2 210.281 0.162 20 0 BCADLO Cc1cc(N(C)C[C@H](O)CO)nc(C2CC2)[nH+]1 ZINC000272412852 411433517 /nfs/dbraw/zinc/43/35/17/411433517.db2.gz ZWKBJVQLYOJKQN-JTQLQIEISA-N 1 2 237.303 0.452 20 0 BCADLO COc1ccc(C(=O)NCc2[nH+]ccn2C)o1 ZINC000654707457 411434555 /nfs/dbraw/zinc/43/45/55/411434555.db2.gz DQKJKMRXSKVZRG-UHFFFAOYSA-N 1 2 235.243 0.952 20 0 BCADLO CCn1nnc(C)c1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000627872678 411435356 /nfs/dbraw/zinc/43/53/56/411435356.db2.gz OPEFGSSVLLKYAC-UHFFFAOYSA-N 1 2 248.290 0.568 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+]2CCc3n[nH]nc3C2)CCO1 ZINC000660387847 411449473 /nfs/dbraw/zinc/44/94/73/411449473.db2.gz NEAALOZLRJBSPW-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1C[C@H]([N@H+]2CCc3n[nH]nc3C2)CCO1 ZINC000660387847 411449476 /nfs/dbraw/zinc/44/94/76/411449476.db2.gz NEAALOZLRJBSPW-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO Cc1nsc(C)c1C[N@@H+]1CCOC[C@H]1CO ZINC000653643970 411452622 /nfs/dbraw/zinc/45/26/22/411452622.db2.gz FFZCTLWXXDKCHN-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nsc(C)c1C[N@H+]1CCOC[C@H]1CO ZINC000653643970 411452629 /nfs/dbraw/zinc/45/26/29/411452629.db2.gz FFZCTLWXXDKCHN-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659785285 411453861 /nfs/dbraw/zinc/45/38/61/411453861.db2.gz JLMDSLFYVXFACK-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C(C)(C)O ZINC000657342152 411469570 /nfs/dbraw/zinc/46/95/70/411469570.db2.gz IDEVSVSICADAIM-MRVPVSSYSA-N 1 2 241.339 0.677 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H](CO)CC2CC2)C1 ZINC000654979597 411470375 /nfs/dbraw/zinc/47/03/75/411470375.db2.gz PHLHRZSWBQBSHK-NSHDSACASA-N 1 2 240.347 0.605 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(O)C1 ZINC000654999025 411473727 /nfs/dbraw/zinc/47/37/27/411473727.db2.gz KIRZYPYIZJVMGI-PUSIOWJLSA-N 1 2 237.303 0.570 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(O)C1 ZINC000654999025 411473729 /nfs/dbraw/zinc/47/37/29/411473729.db2.gz KIRZYPYIZJVMGI-PUSIOWJLSA-N 1 2 237.303 0.570 20 0 BCADLO c1cc(C[NH2+]Cc2cc3n(n2)CCC3)n[nH]1 ZINC000657353060 411474290 /nfs/dbraw/zinc/47/42/90/411474290.db2.gz DNUNPMQDEBTCHS-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CC2(CO)CC2)n1 ZINC000657382168 411488270 /nfs/dbraw/zinc/48/82/70/411488270.db2.gz GNKDOVJJFNTNRC-UHFFFAOYSA-N 1 2 239.323 0.290 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCn3nccc32)C1 ZINC000655065948 411489117 /nfs/dbraw/zinc/48/91/17/411489117.db2.gz SAGVFZRPMZBHSU-UHFFFAOYSA-N 1 2 234.303 0.572 20 0 BCADLO CC(C)(CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657411761 411498317 /nfs/dbraw/zinc/49/83/17/411498317.db2.gz WHVMFLOQGHTWAF-UHFFFAOYSA-N 1 2 241.339 0.536 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1CCOC1 ZINC000655128010 411500433 /nfs/dbraw/zinc/50/04/33/411500433.db2.gz AACMZYJBBJHHKH-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO CCNC(=O)CC(=O)NCc1[nH+]ccn1CC ZINC000655128024 411500811 /nfs/dbraw/zinc/50/08/11/411500811.db2.gz COBUWXZZQHDJBK-UHFFFAOYSA-N 1 2 238.291 0.045 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@]2(C)CCOC2)n1 ZINC000657417548 411501071 /nfs/dbraw/zinc/50/10/71/411501071.db2.gz PLOLKBZRLBIYJG-LLVKDONJSA-N 1 2 239.323 0.697 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659943175 411505478 /nfs/dbraw/zinc/50/54/78/411505478.db2.gz JCRIWMSGTUGOHU-NEPJUHHUSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659943175 411505479 /nfs/dbraw/zinc/50/54/79/411505479.db2.gz JCRIWMSGTUGOHU-NEPJUHHUSA-N 1 2 238.335 0.973 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CCc1cnn[nH]1 ZINC000659944980 411506282 /nfs/dbraw/zinc/50/62/82/411506282.db2.gz QRCHYXFRNIUSFO-MRVPVSSYSA-N 1 2 212.322 0.785 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CCc1cnn[nH]1 ZINC000659944980 411506285 /nfs/dbraw/zinc/50/62/85/411506285.db2.gz QRCHYXFRNIUSFO-MRVPVSSYSA-N 1 2 212.322 0.785 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)nc(C)n1 ZINC000659942950 411506339 /nfs/dbraw/zinc/50/63/39/411506339.db2.gz GUSLYKFBKXDQOZ-LBPRGKRZSA-N 1 2 248.330 0.756 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)nc(C)n1 ZINC000659942950 411506340 /nfs/dbraw/zinc/50/63/40/411506340.db2.gz GUSLYKFBKXDQOZ-LBPRGKRZSA-N 1 2 248.330 0.756 20 0 BCADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)C(=O)N(C)C ZINC000657448679 411510104 /nfs/dbraw/zinc/51/01/04/411510104.db2.gz VSNDJHSFABEUJK-VIFPVBQESA-N 1 2 236.319 0.396 20 0 BCADLO CCN1OC[C@H]([NH+]2C[C@@H](C)S[C@H](C)C2)C1=O ZINC000659959684 411512690 /nfs/dbraw/zinc/51/26/90/411512690.db2.gz HZAUVXMLSJSLLI-BBBLOLIVSA-N 1 2 244.360 0.975 20 0 BCADLO CO[C@H](C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657446231 411512903 /nfs/dbraw/zinc/51/29/03/411512903.db2.gz LUJYKUKHEHJYPK-MRVPVSSYSA-N 1 2 227.312 0.553 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000659990462 411521017 /nfs/dbraw/zinc/52/10/17/411521017.db2.gz LBFYSZWXCGQMIW-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000659990462 411521022 /nfs/dbraw/zinc/52/10/22/411521022.db2.gz LBFYSZWXCGQMIW-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000659990462 411521025 /nfs/dbraw/zinc/52/10/25/411521025.db2.gz LBFYSZWXCGQMIW-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000659990460 411521176 /nfs/dbraw/zinc/52/11/76/411521176.db2.gz LBFYSZWXCGQMIW-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000659990460 411521179 /nfs/dbraw/zinc/52/11/79/411521179.db2.gz LBFYSZWXCGQMIW-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000659990460 411521180 /nfs/dbraw/zinc/52/11/80/411521180.db2.gz LBFYSZWXCGQMIW-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO CCN1CC[C@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000659991548 411522927 /nfs/dbraw/zinc/52/29/27/411522927.db2.gz VDHYFGYHTAPCKB-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000659991548 411522929 /nfs/dbraw/zinc/52/29/29/411522929.db2.gz VDHYFGYHTAPCKB-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO C[C@@H]1OCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814111 411523764 /nfs/dbraw/zinc/52/37/64/411523764.db2.gz KCHJRZIJANREQM-DTWKUNHWSA-N 1 2 239.323 0.695 20 0 BCADLO C[C@H]1OCC[C@@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814110 411523825 /nfs/dbraw/zinc/52/38/25/411523825.db2.gz KCHJRZIJANREQM-BDAKNGLRSA-N 1 2 239.323 0.695 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000659997671 411524109 /nfs/dbraw/zinc/52/41/09/411524109.db2.gz KPBQJPDOMSGUBF-LLVKDONJSA-N 1 2 222.292 0.460 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000659997671 411524112 /nfs/dbraw/zinc/52/41/12/411524112.db2.gz KPBQJPDOMSGUBF-LLVKDONJSA-N 1 2 222.292 0.460 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@H](C)O ZINC000657481930 411526444 /nfs/dbraw/zinc/52/64/44/411526444.db2.gz LUKOXIRSYPZGHP-IUCAKERBSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@@H](C)O ZINC000657481928 411527009 /nfs/dbraw/zinc/52/70/09/411527009.db2.gz LUKOXIRSYPZGHP-BDAKNGLRSA-N 1 2 241.339 0.677 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCc1c[nH]nn1 ZINC000660011559 411527964 /nfs/dbraw/zinc/52/79/64/411527964.db2.gz OZLLPNJFXDTOFF-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCc1c[nH]nn1 ZINC000660011559 411527966 /nfs/dbraw/zinc/52/79/66/411527966.db2.gz OZLLPNJFXDTOFF-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCc1cn[nH]n1 ZINC000660011559 411527969 /nfs/dbraw/zinc/52/79/69/411527969.db2.gz OZLLPNJFXDTOFF-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCc1cn[nH]n1 ZINC000660011559 411527971 /nfs/dbraw/zinc/52/79/71/411527971.db2.gz OZLLPNJFXDTOFF-BDAKNGLRSA-N 1 2 210.281 0.456 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000362241583 170000569 /nfs/dbraw/zinc/00/05/69/170000569.db2.gz YCXDQHZEISFFPR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000362241583 170000570 /nfs/dbraw/zinc/00/05/70/170000570.db2.gz YCXDQHZEISFFPR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCCOC ZINC000360790396 170000737 /nfs/dbraw/zinc/00/07/37/170000737.db2.gz GEROAFOZKZDXCZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCCOC ZINC000360790396 170000738 /nfs/dbraw/zinc/00/07/38/170000738.db2.gz GEROAFOZKZDXCZ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC=C(C)C ZINC000360176970 170001654 /nfs/dbraw/zinc/00/16/54/170001654.db2.gz FJDZBMCEHAFJRV-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC=C(C)C ZINC000360176970 170001655 /nfs/dbraw/zinc/00/16/55/170001655.db2.gz FJDZBMCEHAFJRV-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc[nH]1 ZINC000367630107 170001803 /nfs/dbraw/zinc/00/18/03/170001803.db2.gz DCQKOLQETJJRND-NSHDSACASA-N 1 2 237.303 0.352 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc[nH]1 ZINC000367630107 170001804 /nfs/dbraw/zinc/00/18/04/170001804.db2.gz DCQKOLQETJJRND-NSHDSACASA-N 1 2 237.303 0.352 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCF ZINC000378445729 170002017 /nfs/dbraw/zinc/00/20/17/170002017.db2.gz VZJAGVZHMAGAFA-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCF ZINC000378445729 170002019 /nfs/dbraw/zinc/00/20/19/170002019.db2.gz VZJAGVZHMAGAFA-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC1CCC1 ZINC000367255752 170002025 /nfs/dbraw/zinc/00/20/25/170002025.db2.gz PJNFSVOIENAJHK-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC1CCC1 ZINC000367255752 170002027 /nfs/dbraw/zinc/00/20/27/170002027.db2.gz PJNFSVOIENAJHK-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC=C(C)C ZINC000360176971 170002191 /nfs/dbraw/zinc/00/21/91/170002191.db2.gz FJDZBMCEHAFJRV-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC=C(C)C ZINC000360176971 170002192 /nfs/dbraw/zinc/00/21/92/170002192.db2.gz FJDZBMCEHAFJRV-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]1C ZINC000357469959 170002240 /nfs/dbraw/zinc/00/22/40/170002240.db2.gz DHIWPPDYRSTRQN-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]1C ZINC000357469959 170002241 /nfs/dbraw/zinc/00/22/41/170002241.db2.gz DHIWPPDYRSTRQN-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC(C)=O)C1 ZINC000362788306 170003583 /nfs/dbraw/zinc/00/35/83/170003583.db2.gz OSGYGJSTBYJZTA-MWLCHTKSSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC(C)=O)C1 ZINC000362788306 170003584 /nfs/dbraw/zinc/00/35/84/170003584.db2.gz OSGYGJSTBYJZTA-MWLCHTKSSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC(C)=O)C1 ZINC000372325885 170004894 /nfs/dbraw/zinc/00/48/94/170004894.db2.gz RBWMYPZKLISAGL-NSHDSACASA-N 1 2 242.319 0.145 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)N(C)CCC(C)=O)C1 ZINC000372325885 170004896 /nfs/dbraw/zinc/00/48/96/170004896.db2.gz RBWMYPZKLISAGL-NSHDSACASA-N 1 2 242.319 0.145 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)nc(C)n1 ZINC000659830190 411466778 /nfs/dbraw/zinc/46/67/78/411466778.db2.gz FEXKRUBMZVFLJW-LBPRGKRZSA-N 1 2 248.330 0.933 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)nc(C)n1 ZINC000659830190 411466780 /nfs/dbraw/zinc/46/67/80/411466780.db2.gz FEXKRUBMZVFLJW-LBPRGKRZSA-N 1 2 248.330 0.933 20 0 BCADLO CC[N@@H+]1C[C@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341126723 170033816 /nfs/dbraw/zinc/03/38/16/170033816.db2.gz LQQBIIMUVSSHFA-IUCAKERBSA-N 1 2 239.323 0.425 20 0 BCADLO CC[N@H+]1C[C@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341126723 170033817 /nfs/dbraw/zinc/03/38/17/170033817.db2.gz LQQBIIMUVSSHFA-IUCAKERBSA-N 1 2 239.323 0.425 20 0 BCADLO CCNC(=O)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301576173 170043649 /nfs/dbraw/zinc/04/36/49/170043649.db2.gz QIBBSIGNQVOUMW-UHFFFAOYSA-N 1 2 246.314 0.926 20 0 BCADLO CCNC(=O)C1(C[NH2+]Cc2ccn[nH]2)CCC1 ZINC000331988138 170043815 /nfs/dbraw/zinc/04/38/15/170043815.db2.gz OEXUWCZYCIGXHF-UHFFFAOYSA-N 1 2 236.319 0.806 20 0 BCADLO CCNC(=O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000356946582 170047556 /nfs/dbraw/zinc/04/75/56/170047556.db2.gz ZNGBNAIKDGULGW-MRVPVSSYSA-N 1 2 238.291 0.503 20 0 BCADLO CCNC(=O)CCCC(=O)NCc1[nH]cc[nH+]1 ZINC000358120554 170049602 /nfs/dbraw/zinc/04/96/02/170049602.db2.gz CEUHHEVJCRIECQ-UHFFFAOYSA-N 1 2 238.291 0.332 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373402280 170059356 /nfs/dbraw/zinc/05/93/56/170059356.db2.gz IDYWXGBZCVUUMA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373402280 170059357 /nfs/dbraw/zinc/05/93/57/170059357.db2.gz IDYWXGBZCVUUMA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363446 170061298 /nfs/dbraw/zinc/06/12/98/170061298.db2.gz DJJUCSCGGBGQJO-DTORHVGOSA-N 1 2 200.282 0.232 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363446 170061299 /nfs/dbraw/zinc/06/12/99/170061299.db2.gz DJJUCSCGGBGQJO-DTORHVGOSA-N 1 2 200.282 0.232 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000657525488 411543406 /nfs/dbraw/zinc/54/34/06/411543406.db2.gz SIOYIMASNUTNKK-VIFPVBQESA-N 1 2 237.328 0.999 20 0 BCADLO CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000337782588 170072164 /nfs/dbraw/zinc/07/21/64/170072164.db2.gz USIHAHCQGXLPTK-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000049070496 170081454 /nfs/dbraw/zinc/08/14/54/170081454.db2.gz WQXKQFCRFDYVBP-UHFFFAOYSA-N 1 2 222.292 0.967 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000275435449 170094930 /nfs/dbraw/zinc/09/49/30/170094930.db2.gz DJOYAFUOPJUPNX-ZETCQYMHSA-N 1 2 244.726 0.688 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000310196989 170095195 /nfs/dbraw/zinc/09/51/95/170095195.db2.gz GDMWHXSFWWKYHD-VIFPVBQESA-N 1 2 239.323 0.473 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000339431359 170098220 /nfs/dbraw/zinc/09/82/20/170098220.db2.gz KPMXEGQXVBPXOI-SNVBAGLBSA-N 1 2 224.308 0.660 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1coc(C)n1)C(C)C ZINC000660196548 411553031 /nfs/dbraw/zinc/55/30/31/411553031.db2.gz KJWOHGSQZHWSSN-JTQLQIEISA-N 1 2 225.292 0.843 20 0 BCADLO O=C(C[N@H+]1CC=CCC1)Nc1cnccn1 ZINC000660221025 411555081 /nfs/dbraw/zinc/55/50/81/411555081.db2.gz NZHWCNBUOSBFDH-UHFFFAOYSA-N 1 2 218.260 0.677 20 0 BCADLO O=C(C[N@@H+]1CC=CCC1)Nc1cnccn1 ZINC000660221025 411555082 /nfs/dbraw/zinc/55/50/82/411555082.db2.gz NZHWCNBUOSBFDH-UHFFFAOYSA-N 1 2 218.260 0.677 20 0 BCADLO CCN1OC[C@@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000660143483 411544874 /nfs/dbraw/zinc/54/48/74/411544874.db2.gz WANQCBFNYYWQKP-MRVPVSSYSA-N 1 2 224.264 0.004 20 0 BCADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@@H]2C)co1 ZINC000660145647 411545513 /nfs/dbraw/zinc/54/55/13/411545513.db2.gz VCHCJKKPSNZZQD-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@@H]2C)co1 ZINC000660145647 411545514 /nfs/dbraw/zinc/54/55/14/411545514.db2.gz VCHCJKKPSNZZQD-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCOC1 ZINC000657541866 411547253 /nfs/dbraw/zinc/54/72/53/411547253.db2.gz GSJSSTFNQFCCCJ-GXSJLCMTSA-N 1 2 225.292 0.551 20 0 BCADLO CCOC(=O)CC[N@H+](CC(=O)OCC)C1CC1 ZINC000341869058 170204128 /nfs/dbraw/zinc/20/41/28/170204128.db2.gz IBNMEUZFQYWVBJ-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CC[N@@H+](CC(=O)OCC)C1CC1 ZINC000341869058 170204130 /nfs/dbraw/zinc/20/41/30/170204130.db2.gz IBNMEUZFQYWVBJ-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337413810 170206451 /nfs/dbraw/zinc/20/64/51/170206451.db2.gz QGQFKDFVHCZVIC-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337413810 170206452 /nfs/dbraw/zinc/20/64/52/170206452.db2.gz QGQFKDFVHCZVIC-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO CCOC(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276586689 170206911 /nfs/dbraw/zinc/20/69/11/170206911.db2.gz MNRDIRGZSRDRQL-ONEGZZNKSA-N 1 2 237.259 0.492 20 0 BCADLO CCOC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275525799 170209948 /nfs/dbraw/zinc/20/99/48/170209948.db2.gz JVECYHGSIKGLCU-MRVPVSSYSA-N 1 2 226.280 0.419 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)CS1(=O)=O ZINC000657639469 411566729 /nfs/dbraw/zinc/56/67/29/411566729.db2.gz SNGGTCAWRDUFMS-WPRPVWTQSA-N 1 2 243.332 0.465 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2COC3(CCC3)C2)n1 ZINC000657630772 411567004 /nfs/dbraw/zinc/56/70/04/411567004.db2.gz OGRANFVRAHQVPN-MRVPVSSYSA-N 1 2 223.280 0.011 20 0 BCADLO CCOC(=O)C[N@H+](CCCNC(C)=O)C1CC1 ZINC000108917768 170216921 /nfs/dbraw/zinc/21/69/21/170216921.db2.gz DCQAEVKNZMIXLR-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@@H+](CCCNC(C)=O)C1CC1 ZINC000108917768 170216923 /nfs/dbraw/zinc/21/69/23/170216923.db2.gz DCQAEVKNZMIXLR-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000341867710 170218676 /nfs/dbraw/zinc/21/86/76/170218676.db2.gz CXKSPFDPJPHHCC-UHFFFAOYSA-N 1 2 215.293 0.786 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361048956 170219156 /nfs/dbraw/zinc/21/91/56/170219156.db2.gz CENXYBDGELBSIB-MRVPVSSYSA-N 1 2 237.246 0.499 20 0 BCADLO CCOC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361048956 170219157 /nfs/dbraw/zinc/21/91/57/170219157.db2.gz CENXYBDGELBSIB-MRVPVSSYSA-N 1 2 237.246 0.499 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361049076 170219584 /nfs/dbraw/zinc/21/95/84/170219584.db2.gz CENXYBDGELBSIB-QMMMGPOBSA-N 1 2 237.246 0.499 20 0 BCADLO CCOC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361049076 170219586 /nfs/dbraw/zinc/21/95/86/170219586.db2.gz CENXYBDGELBSIB-QMMMGPOBSA-N 1 2 237.246 0.499 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375330902 170221167 /nfs/dbraw/zinc/22/11/67/170221167.db2.gz DRCSXTRPWRGTCK-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375330902 170221169 /nfs/dbraw/zinc/22/11/69/170221169.db2.gz DRCSXTRPWRGTCK-VIFPVBQESA-N 1 2 224.264 0.088 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332330365 170221851 /nfs/dbraw/zinc/22/18/51/170221851.db2.gz BRBPHOCKBGLOMI-VIFPVBQESA-N 1 2 239.275 0.730 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332330365 170221852 /nfs/dbraw/zinc/22/18/52/170221852.db2.gz BRBPHOCKBGLOMI-VIFPVBQESA-N 1 2 239.275 0.730 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000309650949 170225997 /nfs/dbraw/zinc/22/59/97/170225997.db2.gz OCGWDXMPOHWYGN-RKDXNWHRSA-N 1 2 228.292 0.054 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000300885770 170226657 /nfs/dbraw/zinc/22/66/57/170226657.db2.gz SSRHARKNYQUFSO-RKDXNWHRSA-N 1 2 201.266 0.564 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000309650943 170226808 /nfs/dbraw/zinc/22/68/08/170226808.db2.gz OCGWDXMPOHWYGN-BDAKNGLRSA-N 1 2 228.292 0.054 20 0 BCADLO COC[C@@H](C[N@@H+]1CCN(C(C)C)C(=O)C1)OC ZINC000660233722 411556962 /nfs/dbraw/zinc/55/69/62/411556962.db2.gz GBYWOEWPARMHBS-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@@H](C[N@H+]1CCN(C(C)C)C(=O)C1)OC ZINC000660233722 411556964 /nfs/dbraw/zinc/55/69/64/411556964.db2.gz GBYWOEWPARMHBS-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267817171 170245356 /nfs/dbraw/zinc/24/53/56/170245356.db2.gz GEEDDEDIPFHFBY-ZETCQYMHSA-N 1 2 239.275 0.647 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(NC(N)=O)CC1 ZINC000081539632 170247229 /nfs/dbraw/zinc/24/72/29/170247229.db2.gz ATWVEVLESUEEDV-MRVPVSSYSA-N 1 2 243.307 0.071 20 0 BCADLO CCOC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000062253881 170247801 /nfs/dbraw/zinc/24/78/01/170247801.db2.gz WHIFPBKUPBHBNY-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCOC)[C@H]1CCCOC1 ZINC000111322096 170255208 /nfs/dbraw/zinc/25/52/08/170255208.db2.gz LQUKISAFISPDQG-QWRGUYRKSA-N 1 2 245.319 0.581 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)O)C1CCOCC1 ZINC000337208346 170255495 /nfs/dbraw/zinc/25/54/95/170255495.db2.gz QJMODPUEVBQUKZ-KOLCDFICSA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCn1cccn1 ZINC000111279571 170265854 /nfs/dbraw/zinc/26/58/54/170265854.db2.gz GHGJIXALSWHHSX-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCn1cccn1 ZINC000111279571 170265855 /nfs/dbraw/zinc/26/58/55/170265855.db2.gz GHGJIXALSWHHSX-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330509007 170266405 /nfs/dbraw/zinc/26/64/05/170266405.db2.gz CIMWWXWOYQGCQX-YUMQZZPRSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330509007 170266406 /nfs/dbraw/zinc/26/64/06/170266406.db2.gz CIMWWXWOYQGCQX-YUMQZZPRSA-N 1 2 229.280 0.095 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000049497324 170267287 /nfs/dbraw/zinc/26/72/87/170267287.db2.gz AIACCRVGRLHJOE-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000362012426 170268803 /nfs/dbraw/zinc/26/88/03/170268803.db2.gz HAVUMMOXLMKSPZ-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO COC[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660264849 411561941 /nfs/dbraw/zinc/56/19/41/411561941.db2.gz HGIVVTLGOAMHQU-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO COC[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660264849 411561943 /nfs/dbraw/zinc/56/19/43/411561943.db2.gz HGIVVTLGOAMHQU-MRVPVSSYSA-N 1 2 226.280 0.586 20 0 BCADLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NC ZINC000363867741 170278657 /nfs/dbraw/zinc/27/86/57/170278657.db2.gz WYVLGIIVKINNKB-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NC ZINC000363867741 170278658 /nfs/dbraw/zinc/27/86/58/170278658.db2.gz WYVLGIIVKINNKB-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000052395941 170279550 /nfs/dbraw/zinc/27/95/50/170279550.db2.gz BDTIKYPSSWWSPX-VHSXEESVSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000052395941 170279551 /nfs/dbraw/zinc/27/95/51/170279551.db2.gz BDTIKYPSSWWSPX-VHSXEESVSA-N 1 2 241.287 0.577 20 0 BCADLO FC1(F)C[C@H]1OCC[NH2+]Cc1ccn[nH]1 ZINC000657619123 411564888 /nfs/dbraw/zinc/56/48/88/411564888.db2.gz RXIOTGMTJWDMLQ-MRVPVSSYSA-N 1 2 217.219 0.924 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn(C)cn2)[C@@H](C(N)=O)C1 ZINC000660332760 411571348 /nfs/dbraw/zinc/57/13/48/411571348.db2.gz UWPVGXQHSUPDPS-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn(C)cn2)[C@@H](C(N)=O)C1 ZINC000660332760 411571349 /nfs/dbraw/zinc/57/13/49/411571349.db2.gz UWPVGXQHSUPDPS-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C(N)=O)C1 ZINC000660332760 411571350 /nfs/dbraw/zinc/57/13/50/411571350.db2.gz UWPVGXQHSUPDPS-GXSJLCMTSA-N 1 2 236.319 0.506 20 0 BCADLO CC[C@@]1(O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660334587 411571763 /nfs/dbraw/zinc/57/17/63/411571763.db2.gz YKIHSPPNHZEFOB-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660334587 411571764 /nfs/dbraw/zinc/57/17/64/411571764.db2.gz YKIHSPPNHZEFOB-SNVBAGLBSA-N 1 2 210.281 0.194 20 0 BCADLO COCCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660348447 411572111 /nfs/dbraw/zinc/57/21/11/411572111.db2.gz XYWFEINPYQONBJ-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO COCCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660348447 411572112 /nfs/dbraw/zinc/57/21/12/411572112.db2.gz XYWFEINPYQONBJ-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO CCOC1(C)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000328686010 170318865 /nfs/dbraw/zinc/31/88/65/170318865.db2.gz XYIDTSXTQZLOTG-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CCOC1CC([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC000309989169 170329682 /nfs/dbraw/zinc/32/96/82/170329682.db2.gz ZPYGNIZVERIGMM-SEZDTBSWSA-N 1 2 231.292 0.066 20 0 BCADLO CCOC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000294776682 170333396 /nfs/dbraw/zinc/33/33/96/170333396.db2.gz JXHFWCVLZFRLID-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO CCOCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263816396 170345126 /nfs/dbraw/zinc/34/51/26/170345126.db2.gz KWLIMGQQFYHVDN-UHFFFAOYSA-N 1 2 237.303 0.872 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC=C(COC)CC2)C1=O ZINC000660318967 411568566 /nfs/dbraw/zinc/56/85/66/411568566.db2.gz ONFHMTBEQHHSCQ-LLVKDONJSA-N 1 2 240.303 0.427 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC=C(COC)CC2)C1=O ZINC000660318967 411568568 /nfs/dbraw/zinc/56/85/68/411568568.db2.gz ONFHMTBEQHHSCQ-LLVKDONJSA-N 1 2 240.303 0.427 20 0 BCADLO CCOCCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000357882454 170374132 /nfs/dbraw/zinc/37/41/32/170374132.db2.gz DUOHIVGRZXATMT-YGRLFVJLSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000357882454 170374134 /nfs/dbraw/zinc/37/41/34/170374134.db2.gz DUOHIVGRZXATMT-YGRLFVJLSA-N 1 2 219.350 0.866 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CCC1=O ZINC000660321920 411569000 /nfs/dbraw/zinc/56/90/00/411569000.db2.gz HUVUZGCZSHCGAJ-VIFPVBQESA-N 1 2 207.277 0.831 20 0 BCADLO CCOCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000367262096 170378485 /nfs/dbraw/zinc/37/84/85/170378485.db2.gz IYJXYMUXCOPFAC-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000367262096 170378486 /nfs/dbraw/zinc/37/84/86/170378486.db2.gz IYJXYMUXCOPFAC-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000271580647 170386983 /nfs/dbraw/zinc/38/69/83/170386983.db2.gz RKDBCDCGSBUYNV-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO CCOCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000357495007 170387431 /nfs/dbraw/zinc/38/74/31/170387431.db2.gz QYJAZPHVZIUZKF-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO O=C(Nc1ccon1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334189310 411623475 /nfs/dbraw/zinc/62/34/75/411623475.db2.gz GXRZAIVYEZKDTR-SSDOTTSWSA-N 1 2 247.258 1.077 20 0 BCADLO O=C(Nc1ccon1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334189310 411623476 /nfs/dbraw/zinc/62/34/76/411623476.db2.gz GXRZAIVYEZKDTR-SSDOTTSWSA-N 1 2 247.258 1.077 20 0 BCADLO CCOCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330488682 170398761 /nfs/dbraw/zinc/39/87/61/170398761.db2.gz KLILBTICSUQOFO-SECBINFHSA-N 1 2 241.291 0.991 20 0 BCADLO CCOCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330488682 170398763 /nfs/dbraw/zinc/39/87/63/170398763.db2.gz KLILBTICSUQOFO-SECBINFHSA-N 1 2 241.291 0.991 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000665591362 411624358 /nfs/dbraw/zinc/62/43/58/411624358.db2.gz HGCFAEZLBQTRBT-RKDXNWHRSA-N 1 2 245.286 0.896 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@@H](C)C1=O ZINC000663326865 411625497 /nfs/dbraw/zinc/62/54/97/411625497.db2.gz DPRGUVOYOKFIMR-NKWVEPMBSA-N 1 2 222.248 0.421 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nn1C ZINC000579730395 411630669 /nfs/dbraw/zinc/63/06/69/411630669.db2.gz UNESUIKYPKABRU-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)nn1C ZINC000579730395 411630676 /nfs/dbraw/zinc/63/06/76/411630676.db2.gz UNESUIKYPKABRU-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BCADLO CCn1nccc1C[NH2+]Cc1cncnc1OC ZINC000663349064 411632736 /nfs/dbraw/zinc/63/27/36/411632736.db2.gz CHTVGLQVACCYIT-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO COc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)on1 ZINC000660801567 411637836 /nfs/dbraw/zinc/63/78/36/411637836.db2.gz SIGYRMMCAKMRIH-UHFFFAOYSA-N 1 2 239.275 0.394 20 0 BCADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCOC1 ZINC000660804522 411639241 /nfs/dbraw/zinc/63/92/41/411639241.db2.gz JEYGYJBYWDRYII-GXSJLCMTSA-N 1 2 225.292 0.287 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cn(C)cn3)C2)[nH]1 ZINC000660805989 411639246 /nfs/dbraw/zinc/63/92/46/411639246.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cn(C)cn3)C2)[nH]1 ZINC000660805989 411639250 /nfs/dbraw/zinc/63/92/50/411639250.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cn(C)cn3)C2)n1 ZINC000660805989 411639253 /nfs/dbraw/zinc/63/92/53/411639253.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cn(C)cn3)C2)n1 ZINC000660805989 411639258 /nfs/dbraw/zinc/63/92/58/411639258.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805989 411639266 /nfs/dbraw/zinc/63/92/66/411639266.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805989 411639275 /nfs/dbraw/zinc/63/92/75/411639275.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO CNC(=O)NC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000660810473 411642571 /nfs/dbraw/zinc/64/25/71/411642571.db2.gz NJQRYPOIHXSIID-UHFFFAOYSA-N 1 2 237.307 0.303 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000660810039 411642713 /nfs/dbraw/zinc/64/27/13/411642713.db2.gz BUUANRDVSJKQIR-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000660810039 411642717 /nfs/dbraw/zinc/64/27/17/411642717.db2.gz BUUANRDVSJKQIR-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433783836 411643982 /nfs/dbraw/zinc/64/39/82/411643982.db2.gz SLFOIWSLWZXDFB-SSDOTTSWSA-N 1 2 247.302 1.203 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660392043 411578085 /nfs/dbraw/zinc/57/80/85/411578085.db2.gz WWGOIYKCLJKXMO-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660392043 411578087 /nfs/dbraw/zinc/57/80/87/411578087.db2.gz WWGOIYKCLJKXMO-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO CCN1CN(Cc2cn(C)c[nH+]2)CC1=O ZINC000660403671 411580337 /nfs/dbraw/zinc/58/03/37/411580337.db2.gz RMSIVLUXZHOPLT-UHFFFAOYSA-N 1 2 208.265 0.042 20 0 BCADLO COCC[N@H+](Cc1cn(C)cn1)[C@@H]1CCOC1 ZINC000660431235 411583883 /nfs/dbraw/zinc/58/38/83/411583883.db2.gz DYNQYVLPCXGTQZ-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@@H+](Cc1cn(C)cn1)[C@@H]1CCOC1 ZINC000660431235 411583885 /nfs/dbraw/zinc/58/38/85/411583885.db2.gz DYNQYVLPCXGTQZ-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CC[C@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000660471197 411590475 /nfs/dbraw/zinc/59/04/75/411590475.db2.gz ZXHMYISWHDYYTN-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000660471197 411590476 /nfs/dbraw/zinc/59/04/76/411590476.db2.gz ZXHMYISWHDYYTN-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660482527 411591948 /nfs/dbraw/zinc/59/19/48/411591948.db2.gz FVFSXJWVGDCBQT-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCO[C@H]1CC1(F)F ZINC000660482527 411591950 /nfs/dbraw/zinc/59/19/50/411591950.db2.gz FVFSXJWVGDCBQT-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@](F)(CO)C2)c1 ZINC000660491928 411593635 /nfs/dbraw/zinc/59/36/35/411593635.db2.gz LTQKPJQWKYFIBF-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO CCN1OC[C@H]([N@H+](C)C[C@@H](C)OC)C1=O ZINC000660552013 411598998 /nfs/dbraw/zinc/59/89/98/411598998.db2.gz OYNSKHDWVHWWBU-BDAKNGLRSA-N 1 2 216.281 0.115 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)C[C@@H](C)OC)C1=O ZINC000660552013 411599000 /nfs/dbraw/zinc/59/90/00/411599000.db2.gz OYNSKHDWVHWWBU-BDAKNGLRSA-N 1 2 216.281 0.115 20 0 BCADLO O=C1C[C@H](C[N@H+]2CCOCC(F)(F)C2)CN1 ZINC000660559543 411599997 /nfs/dbraw/zinc/59/99/97/411599997.db2.gz DZOUOJDQALOSRO-QMMMGPOBSA-N 1 2 234.246 0.090 20 0 BCADLO O=C1C[C@H](C[N@@H+]2CCOCC(F)(F)C2)CN1 ZINC000660559543 411599999 /nfs/dbraw/zinc/59/99/99/411599999.db2.gz DZOUOJDQALOSRO-QMMMGPOBSA-N 1 2 234.246 0.090 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCn2cncc2C1 ZINC000660580774 411603073 /nfs/dbraw/zinc/60/30/73/411603073.db2.gz UQPSVCNFAXAHJQ-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CC(=O)NCCC[N@H+]1CCn2cncc2C1 ZINC000660580774 411603074 /nfs/dbraw/zinc/60/30/74/411603074.db2.gz UQPSVCNFAXAHJQ-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CC(=O)NCCCN1CCn2c[nH+]cc2C1 ZINC000660580774 411603076 /nfs/dbraw/zinc/60/30/76/411603076.db2.gz UQPSVCNFAXAHJQ-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660578259 411603280 /nfs/dbraw/zinc/60/32/80/411603280.db2.gz NJBLXCDSNDQYAJ-LLVKDONJSA-N 1 2 225.292 0.096 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660578259 411603281 /nfs/dbraw/zinc/60/32/81/411603281.db2.gz NJBLXCDSNDQYAJ-LLVKDONJSA-N 1 2 225.292 0.096 20 0 BCADLO CCOC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660578259 411603282 /nfs/dbraw/zinc/60/32/82/411603282.db2.gz NJBLXCDSNDQYAJ-LLVKDONJSA-N 1 2 225.292 0.096 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660582309 411603309 /nfs/dbraw/zinc/60/33/09/411603309.db2.gz RCUSZBZDJBHFET-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCOCC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660582309 411603310 /nfs/dbraw/zinc/60/33/10/411603310.db2.gz RCUSZBZDJBHFET-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCOCC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582309 411603311 /nfs/dbraw/zinc/60/33/11/411603311.db2.gz RCUSZBZDJBHFET-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)NCC1CCC1 ZINC000660577033 411603319 /nfs/dbraw/zinc/60/33/19/411603319.db2.gz DUQKEQBYLJGXIC-UHFFFAOYSA-N 1 2 248.330 0.615 20 0 BCADLO Cc1cc(C[N@@H+](C)C(C)(C)C(N)=O)nc(C)n1 ZINC000660648118 411608839 /nfs/dbraw/zinc/60/88/39/411608839.db2.gz QVLFTTSKCKJXMZ-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO Cc1cc(C[N@H+](C)C(C)(C)C(N)=O)nc(C)n1 ZINC000660648118 411608840 /nfs/dbraw/zinc/60/88/40/411608840.db2.gz QVLFTTSKCKJXMZ-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660639235 411611232 /nfs/dbraw/zinc/61/12/32/411611232.db2.gz HNRUDMTYTZBFIQ-JGVFFNPUSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660639235 411611234 /nfs/dbraw/zinc/61/12/34/411611234.db2.gz HNRUDMTYTZBFIQ-JGVFFNPUSA-N 1 2 244.316 0.767 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CC(C)(C)CO)C1=O ZINC000660670141 411616546 /nfs/dbraw/zinc/61/65/46/411616546.db2.gz FKZRGPXKCHQNES-VIFPVBQESA-N 1 2 230.308 0.099 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CC(C)(C)CO)C1=O ZINC000660670141 411616547 /nfs/dbraw/zinc/61/65/47/411616547.db2.gz FKZRGPXKCHQNES-VIFPVBQESA-N 1 2 230.308 0.099 20 0 BCADLO C[C@H](c1ccncc1)[NH+]1CC(N2CCNC2=O)C1 ZINC000660687387 411617551 /nfs/dbraw/zinc/61/75/51/411617551.db2.gz RYHFJNVZPYGBIM-SNVBAGLBSA-N 1 2 246.314 0.852 20 0 BCADLO Cc1cncc(C[NH+]2CC(N3CCNC3=O)C2)c1 ZINC000660683583 411617629 /nfs/dbraw/zinc/61/76/29/411617629.db2.gz CZNIQTZGDJEVGK-UHFFFAOYSA-N 1 2 246.314 0.599 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@@H](C)CCOC)C1 ZINC000660728679 411619408 /nfs/dbraw/zinc/61/94/08/411619408.db2.gz DOSOZPRQTCCBHG-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC2CCC2)C1 ZINC000660728038 411619560 /nfs/dbraw/zinc/61/95/60/411619560.db2.gz IHFXWEUZWFTMJN-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000660740058 411620176 /nfs/dbraw/zinc/62/01/76/411620176.db2.gz ZFVXHZRXPPHSRS-MWLCHTKSSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000660740058 411620177 /nfs/dbraw/zinc/62/01/77/411620177.db2.gz ZFVXHZRXPPHSRS-MWLCHTKSSA-N 1 2 238.335 0.988 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660755082 411620954 /nfs/dbraw/zinc/62/09/54/411620954.db2.gz IMPSVYCBAMMWMS-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO COCCNc1nc[nH+]c(NCCOC)c1C ZINC000663311868 411621751 /nfs/dbraw/zinc/62/17/51/411621751.db2.gz QBZMNLFHFHUYLB-UHFFFAOYSA-N 1 2 240.307 0.902 20 0 BCADLO Cc1cc(NCCCc2ncnn2C)nc[nH+]1 ZINC000641644708 411647474 /nfs/dbraw/zinc/64/74/74/411647474.db2.gz HKAIALSDYVBBLB-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO Cc1cc(NC[C@H](O)[C@@H]2CCCO2)nc[nH+]1 ZINC000528131418 411649171 /nfs/dbraw/zinc/64/91/71/411649171.db2.gz BGECTSGSWGFNJB-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NC[C@@H](O)[C@H]2CCCO2)nc[nH+]1 ZINC000528131414 411650625 /nfs/dbraw/zinc/65/06/25/411650625.db2.gz BGECTSGSWGFNJB-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841142 411652839 /nfs/dbraw/zinc/65/28/39/411652839.db2.gz BGULNKNENYFJIH-UHFFFAOYSA-N 1 2 237.263 0.449 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841142 411652842 /nfs/dbraw/zinc/65/28/42/411652842.db2.gz BGULNKNENYFJIH-UHFFFAOYSA-N 1 2 237.263 0.449 20 0 BCADLO C[N@H+](CCc1cn[nH]c1)Cc1n[nH]c(=O)o1 ZINC000660842750 411654140 /nfs/dbraw/zinc/65/41/40/411654140.db2.gz QTAPQCOMLFCPFD-UHFFFAOYSA-N 1 2 223.236 0.173 20 0 BCADLO C[N@@H+](CCc1cn[nH]c1)Cc1n[nH]c(=O)o1 ZINC000660842750 411654144 /nfs/dbraw/zinc/65/41/44/411654144.db2.gz QTAPQCOMLFCPFD-UHFFFAOYSA-N 1 2 223.236 0.173 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CCOCC1 ZINC000660844107 411654461 /nfs/dbraw/zinc/65/44/61/411654461.db2.gz DTVWFAUJWMXTMK-UHFFFAOYSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CCOCC1 ZINC000660844107 411654465 /nfs/dbraw/zinc/65/44/65/411654465.db2.gz DTVWFAUJWMXTMK-UHFFFAOYSA-N 1 2 227.264 0.634 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1n[nH]c(=O)o1 ZINC000660844010 411654678 /nfs/dbraw/zinc/65/46/78/411654678.db2.gz DAPSXYRNDDLTHV-MRVPVSSYSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1n[nH]c(=O)o1 ZINC000660844010 411654682 /nfs/dbraw/zinc/65/46/82/411654682.db2.gz DAPSXYRNDDLTHV-MRVPVSSYSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCOC1 ZINC000660845993 411655870 /nfs/dbraw/zinc/65/58/70/411655870.db2.gz VVJHVMOBFCCPMP-ZETCQYMHSA-N 1 2 213.237 0.244 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCOC1 ZINC000660845993 411655875 /nfs/dbraw/zinc/65/58/75/411655875.db2.gz VVJHVMOBFCCPMP-ZETCQYMHSA-N 1 2 213.237 0.244 20 0 BCADLO CCOCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850464 411656609 /nfs/dbraw/zinc/65/66/09/411656609.db2.gz VUFNERZJBDOGNF-UHFFFAOYSA-N 1 2 215.253 0.634 20 0 BCADLO CCOCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850464 411656611 /nfs/dbraw/zinc/65/66/11/411656611.db2.gz VUFNERZJBDOGNF-UHFFFAOYSA-N 1 2 215.253 0.634 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845478 411656922 /nfs/dbraw/zinc/65/69/22/411656922.db2.gz PWDKBBBNPRYKLL-LURJTMIESA-N 1 2 201.226 0.242 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845478 411656925 /nfs/dbraw/zinc/65/69/25/411656925.db2.gz PWDKBBBNPRYKLL-LURJTMIESA-N 1 2 201.226 0.242 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845479 411657790 /nfs/dbraw/zinc/65/77/90/411657790.db2.gz PWDKBBBNPRYKLL-ZCFIWIBFSA-N 1 2 201.226 0.242 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845479 411657794 /nfs/dbraw/zinc/65/77/94/411657794.db2.gz PWDKBBBNPRYKLL-ZCFIWIBFSA-N 1 2 201.226 0.242 20 0 BCADLO Cc1cc(N[C@@H]2COC[C@@H]2O)nc(C2CC2)[nH+]1 ZINC000631433883 411657996 /nfs/dbraw/zinc/65/79/96/411657996.db2.gz VTICKXGOHFRPOI-ZJUUUORDSA-N 1 2 235.287 0.834 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849156 411658052 /nfs/dbraw/zinc/65/80/52/411658052.db2.gz FTMOAQVPGSGGJU-SSDOTTSWSA-N 1 2 242.279 0.122 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849156 411658056 /nfs/dbraw/zinc/65/80/56/411658056.db2.gz FTMOAQVPGSGGJU-SSDOTTSWSA-N 1 2 242.279 0.122 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000660902058 411666214 /nfs/dbraw/zinc/66/62/14/411666214.db2.gz QYBPHPGCFAQQCL-KOLCDFICSA-N 1 2 222.292 0.458 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000660902058 411666219 /nfs/dbraw/zinc/66/62/19/411666219.db2.gz QYBPHPGCFAQQCL-KOLCDFICSA-N 1 2 222.292 0.458 20 0 BCADLO Cc1nc(C[NH+]2CC(C)(C(N)=O)C2)c(C)o1 ZINC000660898565 411666296 /nfs/dbraw/zinc/66/62/96/411666296.db2.gz IAHARGIIJXYZQQ-UHFFFAOYSA-N 1 2 223.276 0.599 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000574542250 411671098 /nfs/dbraw/zinc/67/10/98/411671098.db2.gz GODIRWHUNRKNMI-VHSXEESVSA-N 1 2 235.287 1.180 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1=O ZINC000660921980 411675127 /nfs/dbraw/zinc/67/51/27/411675127.db2.gz GCFVYBHLCVRFBO-SCZZXKLOSA-N 1 2 246.257 0.880 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@]3(CC3(F)F)C2)C1=O ZINC000660921980 411675130 /nfs/dbraw/zinc/67/51/30/411675130.db2.gz GCFVYBHLCVRFBO-SCZZXKLOSA-N 1 2 246.257 0.880 20 0 BCADLO CO[C@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000342459487 411675374 /nfs/dbraw/zinc/67/53/74/411675374.db2.gz PKYAVIBSVQGNQR-HTQZYQBOSA-N 1 2 239.323 1.081 20 0 BCADLO CO[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000342459487 411675382 /nfs/dbraw/zinc/67/53/82/411675382.db2.gz PKYAVIBSVQGNQR-HTQZYQBOSA-N 1 2 239.323 1.081 20 0 BCADLO CO[C@H]1COCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000450696659 411677217 /nfs/dbraw/zinc/67/72/17/411677217.db2.gz TWCLDXUCMFNZJP-MNOVXSKESA-N 1 2 237.303 1.248 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](OC)C1CC1 ZINC000383345957 411681413 /nfs/dbraw/zinc/68/14/13/411681413.db2.gz SXMIUQUIKRATQE-MRVPVSSYSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](OC)C1CC1 ZINC000383345957 411681418 /nfs/dbraw/zinc/68/14/18/411681418.db2.gz SXMIUQUIKRATQE-MRVPVSSYSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](OC)C1CC1 ZINC000383345958 411681449 /nfs/dbraw/zinc/68/14/49/411681449.db2.gz SXMIUQUIKRATQE-QMMMGPOBSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](OC)C1CC1 ZINC000383345958 411681452 /nfs/dbraw/zinc/68/14/52/411681452.db2.gz SXMIUQUIKRATQE-QMMMGPOBSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@](C)(O)C(C)C ZINC000379855494 411682516 /nfs/dbraw/zinc/68/25/16/411682516.db2.gz MVGFRZSJOSEETR-LLVKDONJSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@](C)(O)C(C)C ZINC000379855494 411682520 /nfs/dbraw/zinc/68/25/20/411682520.db2.gz MVGFRZSJOSEETR-LLVKDONJSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](OC)C(C)C ZINC000381288317 411683398 /nfs/dbraw/zinc/68/33/98/411683398.db2.gz MYUVNOPZOXWZDB-QMMMGPOBSA-N 1 2 240.307 1.150 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](OC)C(C)C ZINC000381288317 411683400 /nfs/dbraw/zinc/68/34/00/411683400.db2.gz MYUVNOPZOXWZDB-QMMMGPOBSA-N 1 2 240.307 1.150 20 0 BCADLO OCc1cc[nH+]c(NCC[C@@H]2CCOC2)c1 ZINC000641487836 411689308 /nfs/dbraw/zinc/68/93/08/411689308.db2.gz UEGLLCGPVKVVME-SNVBAGLBSA-N 1 2 222.288 1.412 20 0 BCADLO CCOC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661046708 411692892 /nfs/dbraw/zinc/69/28/92/411692892.db2.gz YAEXEUKXDMLOOL-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO CCOC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661046708 411692897 /nfs/dbraw/zinc/69/28/97/411692897.db2.gz YAEXEUKXDMLOOL-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO O[C@@H]1COCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000624681918 411695013 /nfs/dbraw/zinc/69/50/13/411695013.db2.gz GBIJSBWQYRBSAJ-NXEZZACHSA-N 1 2 235.287 0.916 20 0 BCADLO CCN(C)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661086787 411699104 /nfs/dbraw/zinc/69/91/04/411699104.db2.gz HSAJANPJEYGMEG-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CCN(C)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661086787 411699107 /nfs/dbraw/zinc/69/91/07/411699107.db2.gz HSAJANPJEYGMEG-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CC[C@@H](Nc1[nH+]c2ccccc2n1C)C(=O)NC ZINC000450939736 411731443 /nfs/dbraw/zinc/73/14/43/411731443.db2.gz KSAUKBJJTMMUHF-SECBINFHSA-N 1 2 246.314 1.510 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)[nH]1 ZINC000661203036 411732238 /nfs/dbraw/zinc/73/22/38/411732238.db2.gz BFHOPARPCKEUNB-HRDYMLBCSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)[nH]1 ZINC000661203036 411732241 /nfs/dbraw/zinc/73/22/41/411732241.db2.gz BFHOPARPCKEUNB-HRDYMLBCSA-N 1 2 238.291 0.103 20 0 BCADLO CC[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)OC ZINC000661208294 411732553 /nfs/dbraw/zinc/73/25/53/411732553.db2.gz RKQQZUDYWNJNQS-SNVBAGLBSA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)OC ZINC000661208294 411732558 /nfs/dbraw/zinc/73/25/58/411732558.db2.gz RKQQZUDYWNJNQS-SNVBAGLBSA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)OC ZINC000661208292 411732737 /nfs/dbraw/zinc/73/27/37/411732737.db2.gz RKQQZUDYWNJNQS-JTQLQIEISA-N 1 2 240.307 0.976 20 0 BCADLO CC[C@@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)OC ZINC000661208292 411732740 /nfs/dbraw/zinc/73/27/40/411732740.db2.gz RKQQZUDYWNJNQS-JTQLQIEISA-N 1 2 240.307 0.976 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CNC(=O)C1 ZINC000568295334 411734348 /nfs/dbraw/zinc/73/43/48/411734348.db2.gz YJVWLWFXNGUGMZ-VIFPVBQESA-N 1 2 220.276 0.641 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)NCC1CC1 ZINC000574218917 411734799 /nfs/dbraw/zinc/73/47/99/411734799.db2.gz KNGYHWPLKUMYOW-UHFFFAOYSA-N 1 2 234.303 1.032 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCS(C)(=O)=O ZINC000519796771 411734993 /nfs/dbraw/zinc/73/49/93/411734993.db2.gz XXFVEILNLSPJIL-UHFFFAOYSA-N 1 2 243.332 0.940 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCNC(=O)C1CC1 ZINC000573967935 411735132 /nfs/dbraw/zinc/73/51/32/411735132.db2.gz UJQGQPYHBJWMCY-UHFFFAOYSA-N 1 2 234.303 1.032 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1(CC(N)=O)CC1 ZINC000568647620 411735417 /nfs/dbraw/zinc/73/54/17/411735417.db2.gz UMLIVVYAWDIVGR-UHFFFAOYSA-N 1 2 234.303 1.161 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC1([S@@](C)=O)CC1 ZINC000580659354 411736262 /nfs/dbraw/zinc/73/62/62/411736262.db2.gz OYTOFUSTNBGLJU-INIZCTEOSA-N 1 2 239.344 1.416 20 0 BCADLO Cc1c[nH+]ccc1CCNc1ccc(=O)n(C)n1 ZINC000413193848 411738101 /nfs/dbraw/zinc/73/81/01/411738101.db2.gz AKRHHRAJILGVTN-UHFFFAOYSA-N 1 2 244.298 1.138 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1ccc(=O)[nH]n1 ZINC000571777199 411739160 /nfs/dbraw/zinc/73/91/60/411739160.db2.gz VQPLNQVZSVIRJO-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BCADLO Cc1cccn2cc(CN=c3nc[nH]n3C)[nH+]c12 ZINC000663760816 411740473 /nfs/dbraw/zinc/74/04/73/411740473.db2.gz KAMYJOXTMLQONT-UHFFFAOYSA-N 1 2 242.286 0.805 20 0 BCADLO CC[C@@H]1C[C@H]1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000580874225 411740546 /nfs/dbraw/zinc/74/05/46/411740546.db2.gz QXEYKZPATQVQCX-SFYZADRCSA-N 1 2 246.318 1.404 20 0 BCADLO Cc1cncnc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000641331354 411741768 /nfs/dbraw/zinc/74/17/68/411741768.db2.gz ZQIFJAQQFWCXIB-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncnc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000641331354 411741775 /nfs/dbraw/zinc/74/17/75/411741775.db2.gz ZQIFJAQQFWCXIB-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1n[nH]c(CCNc2cc[nH+]c(C)n2)n1 ZINC000336746511 411761686 /nfs/dbraw/zinc/76/16/86/411761686.db2.gz WMCIEDYUHSVLIB-UHFFFAOYSA-N 1 2 218.264 0.866 20 0 BCADLO CSCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000381518362 411792999 /nfs/dbraw/zinc/79/29/99/411792999.db2.gz TUHURSDWGUSASJ-UHFFFAOYSA-N 1 2 241.364 1.411 20 0 BCADLO CSCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000381518362 411793004 /nfs/dbraw/zinc/79/30/04/411793004.db2.gz TUHURSDWGUSASJ-UHFFFAOYSA-N 1 2 241.364 1.411 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)CC(C)(C)C1=O ZINC000663963152 411793020 /nfs/dbraw/zinc/79/30/20/411793020.db2.gz SZTGXSGSFQKIOK-UHFFFAOYSA-N 1 2 235.287 0.748 20 0 BCADLO Cc1nc(N(C)C)nc(NC2CCOCC2)[nH+]1 ZINC000408357476 411766198 /nfs/dbraw/zinc/76/61/98/411766198.db2.gz KEAPCIAWAUUPJE-UHFFFAOYSA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(NC2CCOCC2)nc(N(C)C)[nH+]1 ZINC000408357476 411766203 /nfs/dbraw/zinc/76/62/03/411766203.db2.gz KEAPCIAWAUUPJE-UHFFFAOYSA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(N(C)C)nc(NCC2=CCOCC2)[nH+]1 ZINC000581291463 411766887 /nfs/dbraw/zinc/76/68/87/411766887.db2.gz QOZVRQIJDKMYLE-UHFFFAOYSA-N 1 2 249.318 1.005 20 0 BCADLO Cc1nc(NCC2=CCOCC2)nc(N(C)C)[nH+]1 ZINC000581291463 411766894 /nfs/dbraw/zinc/76/68/94/411766894.db2.gz QOZVRQIJDKMYLE-UHFFFAOYSA-N 1 2 249.318 1.005 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCO[C@@H]2C)[nH+]1 ZINC000408028410 411768310 /nfs/dbraw/zinc/76/83/10/411768310.db2.gz DGDPTJSBNYOVSE-APPZFPTMSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@H]2CCO[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408028410 411768313 /nfs/dbraw/zinc/76/83/13/411768313.db2.gz DGDPTJSBNYOVSE-APPZFPTMSA-N 1 2 237.307 0.835 20 0 BCADLO CCc1cc(NCC2(CC(N)=O)CC2)nc[nH+]1 ZINC000643192732 411768664 /nfs/dbraw/zinc/76/86/64/411768664.db2.gz XMYVIZXGFQTRTG-UHFFFAOYSA-N 1 2 234.303 1.107 20 0 BCADLO OCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661400639 411768677 /nfs/dbraw/zinc/76/86/77/411768677.db2.gz RJPDMQFBFAZAKF-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661400639 411768681 /nfs/dbraw/zinc/76/86/81/411768681.db2.gz RJPDMQFBFAZAKF-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@@H](F)C2)[nH+]1 ZINC000340870584 411769028 /nfs/dbraw/zinc/76/90/28/411769028.db2.gz GHSAUVOQSSKGFX-BDAKNGLRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@H]2CC[C@@H](F)C2)nc(N(C)C)[nH+]1 ZINC000340870584 411769033 /nfs/dbraw/zinc/76/90/33/411769033.db2.gz GHSAUVOQSSKGFX-BDAKNGLRSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2CCOC2)[nH+]1 ZINC000488399726 411769179 /nfs/dbraw/zinc/76/91/79/411769179.db2.gz SSKHLRJFJDKKBA-SECBINFHSA-N 1 2 237.307 0.694 20 0 BCADLO Cc1nc(NC[C@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000488399726 411769184 /nfs/dbraw/zinc/76/91/84/411769184.db2.gz SSKHLRJFJDKKBA-SECBINFHSA-N 1 2 237.307 0.694 20 0 BCADLO CCc1cc(NCC2([S@](C)=O)CC2)nc[nH+]1 ZINC000390412282 411769586 /nfs/dbraw/zinc/76/95/86/411769586.db2.gz FOGNOEAUPOSCSB-MRXNPFEDSA-N 1 2 239.344 1.362 20 0 BCADLO CCc1cc(NC[C@H]2CCN(C(N)=O)C2)nc[nH+]1 ZINC000663904357 411770641 /nfs/dbraw/zinc/77/06/41/411770641.db2.gz BVGOUNVBKXFDIH-SECBINFHSA-N 1 2 249.318 0.852 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661412085 411770915 /nfs/dbraw/zinc/77/09/15/411770915.db2.gz CUTVALAQPYWSRT-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661412085 411770917 /nfs/dbraw/zinc/77/09/17/411770917.db2.gz CUTVALAQPYWSRT-IUCAKERBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661412086 411770950 /nfs/dbraw/zinc/77/09/50/411770950.db2.gz CUTVALAQPYWSRT-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661412086 411770953 /nfs/dbraw/zinc/77/09/53/411770953.db2.gz CUTVALAQPYWSRT-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO Cn1c[nH+]cc1CCn1ccccc1=O ZINC000663916399 411774054 /nfs/dbraw/zinc/77/40/54/411774054.db2.gz SVRQBZFJZXRPBO-UHFFFAOYSA-N 1 2 203.245 0.825 20 0 BCADLO Cc1nc2[nH]ccc2c(NCC(C)(C)C(N)=O)[nH+]1 ZINC000433768017 411777986 /nfs/dbraw/zinc/77/79/86/411777986.db2.gz WTEJSCFARNSMBN-UHFFFAOYSA-N 1 2 247.302 1.190 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cnnn1C ZINC000661461430 411781483 /nfs/dbraw/zinc/78/14/83/411781483.db2.gz DBBAKYSITGCAMA-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cnnn1C ZINC000661461430 411781485 /nfs/dbraw/zinc/78/14/85/411781485.db2.gz DBBAKYSITGCAMA-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO CCNC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465350 411782306 /nfs/dbraw/zinc/78/23/06/411782306.db2.gz CZFHZNNXZVEPOI-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465350 411782308 /nfs/dbraw/zinc/78/23/08/411782308.db2.gz CZFHZNNXZVEPOI-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC1CC1 ZINC000661465176 411782333 /nfs/dbraw/zinc/78/23/33/411782333.db2.gz BMRGQTCAXWEAIK-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)NC1CC1 ZINC000661465176 411782335 /nfs/dbraw/zinc/78/23/35/411782335.db2.gz BMRGQTCAXWEAIK-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC1CC1 ZINC000661465179 411782603 /nfs/dbraw/zinc/78/26/03/411782603.db2.gz BMRGQTCAXWEAIK-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)NC1CC1 ZINC000661465179 411782606 /nfs/dbraw/zinc/78/26/06/411782606.db2.gz BMRGQTCAXWEAIK-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO Cc1nc(NCc2nnc(C3CC3)n2C)cc[nH+]1 ZINC000329711800 411787493 /nfs/dbraw/zinc/78/74/93/411787493.db2.gz PBJUGBWWEZDSHJ-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BCADLO CCc1nnc(CNc2cc[nH+]c(C)n2)o1 ZINC000647842770 411790536 /nfs/dbraw/zinc/79/05/36/411790536.db2.gz JVOVIKXPFYRUGO-UHFFFAOYSA-N 1 2 219.248 1.343 20 0 BCADLO Cc1nccnc1NC[C@H]1COCC[N@H+]1C ZINC000624621677 411790797 /nfs/dbraw/zinc/79/07/97/411790797.db2.gz GHHYVZACKYVBKU-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nccnc1NC[C@H]1COCC[N@@H+]1C ZINC000624621677 411790800 /nfs/dbraw/zinc/79/08/00/411790800.db2.gz GHHYVZACKYVBKU-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO CCS(=O)(=O)CCCNc1cc[nH+]c(C)n1 ZINC000413572045 411720868 /nfs/dbraw/zinc/72/08/68/411720868.db2.gz JRTIGJLMKNNMFI-UHFFFAOYSA-N 1 2 243.332 1.022 20 0 BCADLO CCOc1nccnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000578825640 411721029 /nfs/dbraw/zinc/72/10/29/411721029.db2.gz JZHQVHHYQVIIPL-JTQLQIEISA-N 1 2 247.302 1.572 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165891 411726041 /nfs/dbraw/zinc/72/60/41/411726041.db2.gz DSQUUXGRUCGGBY-LDYMZIIASA-N 1 2 212.293 0.361 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165891 411726045 /nfs/dbraw/zinc/72/60/45/411726045.db2.gz DSQUUXGRUCGGBY-LDYMZIIASA-N 1 2 212.293 0.361 20 0 BCADLO CCn1ccnc(N(C)Cc2c[nH+]c[nH]2)c1=O ZINC000664128349 411864388 /nfs/dbraw/zinc/86/43/88/411864388.db2.gz WBXMTUUEJXIWJY-UHFFFAOYSA-N 1 2 233.275 0.623 20 0 BCADLO CCn1ccnc(N(C)Cc2c[nH]c[nH+]2)c1=O ZINC000664128349 411864392 /nfs/dbraw/zinc/86/43/92/411864392.db2.gz WBXMTUUEJXIWJY-UHFFFAOYSA-N 1 2 233.275 0.623 20 0 BCADLO CCN(C)C(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000661746068 411864878 /nfs/dbraw/zinc/86/48/78/411864878.db2.gz CGQJMAVPPVXPPX-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661746068 411864882 /nfs/dbraw/zinc/86/48/82/411864882.db2.gz CGQJMAVPPVXPPX-UHFFFAOYSA-N 1 2 239.323 0.115 20 0 BCADLO Cc1nnc(CCNc2nc(C)[nH+]cc2C)n1C ZINC000566485275 411800334 /nfs/dbraw/zinc/80/03/34/411800334.db2.gz DKCZKTDFCRAOGR-UHFFFAOYSA-N 1 2 246.318 1.185 20 0 BCADLO Cn1c[nH+]cc1CCn1c(=O)oc2cccnc21 ZINC000663983305 411800569 /nfs/dbraw/zinc/80/05/69/411800569.db2.gz VKNHDCDUGNFAJX-UHFFFAOYSA-N 1 2 244.254 0.966 20 0 BCADLO CC(C)NC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661554774 411801440 /nfs/dbraw/zinc/80/14/40/411801440.db2.gz MXWJGAPCYSWWEX-NXEZZACHSA-N 1 2 226.320 0.668 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000663986116 411802683 /nfs/dbraw/zinc/80/26/83/411802683.db2.gz SFBLGCVLAZXTNU-MRVPVSSYSA-N 1 2 234.259 0.494 20 0 BCADLO C[C@@H]1CC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663987003 411804409 /nfs/dbraw/zinc/80/44/09/411804409.db2.gz PGZYZGAGDXKLML-MRVPVSSYSA-N 1 2 221.260 0.358 20 0 BCADLO CCn1ccc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000618042968 411806481 /nfs/dbraw/zinc/80/64/81/411806481.db2.gz QVYHIRVBYKUCSC-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661610710 411815880 /nfs/dbraw/zinc/81/58/80/411815880.db2.gz FWOBIARIHYYNGK-SECBINFHSA-N 1 2 240.307 0.214 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661610710 411815884 /nfs/dbraw/zinc/81/58/84/411815884.db2.gz FWOBIARIHYYNGK-SECBINFHSA-N 1 2 240.307 0.214 20 0 BCADLO Cc1cnc(C[N@H+](C)C[C@H]2COCCO2)nc1 ZINC000661612273 411816267 /nfs/dbraw/zinc/81/62/67/411816267.db2.gz PQAWPWJFPZYZPS-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO Cc1cnc(C[N@@H+](C)C[C@H]2COCCO2)nc1 ZINC000661612273 411816269 /nfs/dbraw/zinc/81/62/69/411816269.db2.gz PQAWPWJFPZYZPS-NSHDSACASA-N 1 2 237.303 0.632 20 0 BCADLO Cc1nc(N[C@@H](CO)Cc2cnn(C)c2)cc[nH+]1 ZINC000664025340 411817432 /nfs/dbraw/zinc/81/74/32/411817432.db2.gz MORCSLKQBAMSSF-LLVKDONJSA-N 1 2 247.302 0.534 20 0 BCADLO C[C@@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000361809937 411819192 /nfs/dbraw/zinc/81/91/92/411819192.db2.gz BBJYDKMIDCDEMU-VIFPVBQESA-N 1 2 218.260 1.060 20 0 BCADLO O[C@]1(C2CC2)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661632743 411825958 /nfs/dbraw/zinc/82/59/58/411825958.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661632743 411825961 /nfs/dbraw/zinc/82/59/61/411825961.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO O[C@]1(C2CC2)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661632743 411825964 /nfs/dbraw/zinc/82/59/64/411825964.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661632743 411825967 /nfs/dbraw/zinc/82/59/67/411825967.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO O[C@]1(C2CC2)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661632743 411825972 /nfs/dbraw/zinc/82/59/72/411825972.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661632743 411825973 /nfs/dbraw/zinc/82/59/73/411825973.db2.gz SIVILTMZLFWIGP-LLVKDONJSA-N 1 2 222.292 0.542 20 0 BCADLO CN(C)C(=O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000361816351 411826785 /nfs/dbraw/zinc/82/67/85/411826785.db2.gz RUPIYZKBUAGCMV-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCO ZINC000505749014 411831025 /nfs/dbraw/zinc/83/10/25/411831025.db2.gz BAQKAVYIFKFWAD-SECBINFHSA-N 1 2 235.287 0.821 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@@H]2CC23CC3)[nH+]cn1 ZINC000572977419 411831192 /nfs/dbraw/zinc/83/11/92/411831192.db2.gz UMXFLGUQDDVHMH-ZJUUUORDSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@@H]2CC23CC3)nc[nH+]1 ZINC000572977419 411831198 /nfs/dbraw/zinc/83/11/98/411831198.db2.gz UMXFLGUQDDVHMH-ZJUUUORDSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@@H](O)CCCNc1cc(CO)cc[nH+]1 ZINC000641542812 411831957 /nfs/dbraw/zinc/83/19/57/411831957.db2.gz LVEOKIJVJKZDIT-SECBINFHSA-N 1 2 210.277 1.147 20 0 BCADLO CC(C)=CC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661680030 411834947 /nfs/dbraw/zinc/83/49/47/411834947.db2.gz LBUPELAZMLOENM-LLVKDONJSA-N 1 2 246.376 0.918 20 0 BCADLO CC(C)=CC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661680030 411834949 /nfs/dbraw/zinc/83/49/49/411834949.db2.gz LBUPELAZMLOENM-LLVKDONJSA-N 1 2 246.376 0.918 20 0 BCADLO C[C@@]12COC[C@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC000661704156 411835817 /nfs/dbraw/zinc/83/58/17/411835817.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000661704156 411835821 /nfs/dbraw/zinc/83/58/21/411835821.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC000661704156 411835824 /nfs/dbraw/zinc/83/58/24/411835824.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000661704156 411835829 /nfs/dbraw/zinc/83/58/29/411835829.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000661704156 411835837 /nfs/dbraw/zinc/83/58/37/411835837.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 1 2 208.265 0.273 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516913 411867287 /nfs/dbraw/zinc/86/72/87/411867287.db2.gz WIFQOZZUIYTLBK-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516913 411867293 /nfs/dbraw/zinc/86/72/93/411867293.db2.gz WIFQOZZUIYTLBK-NSHDSACASA-N 1 2 237.303 0.511 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661703526 411847026 /nfs/dbraw/zinc/84/70/26/411847026.db2.gz UHWBHANILUJLEE-MWLCHTKSSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661703526 411847028 /nfs/dbraw/zinc/84/70/28/411847028.db2.gz UHWBHANILUJLEE-MWLCHTKSSA-N 1 2 223.276 0.846 20 0 BCADLO COc1cccnc1CNc1nc(C)[nH+]c(N)n1 ZINC000631304599 411867484 /nfs/dbraw/zinc/86/74/84/411867484.db2.gz WQMYKXGEJWXZQL-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO COc1cccnc1CNc1nc(N)nc(C)[nH+]1 ZINC000631304599 411867488 /nfs/dbraw/zinc/86/74/88/411867488.db2.gz WQMYKXGEJWXZQL-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1C1CC1 ZINC000661715053 411855568 /nfs/dbraw/zinc/85/55/68/411855568.db2.gz CFCWCNJUPJZZEC-GXFFZTMASA-N 1 2 248.330 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1C1CC1 ZINC000661715053 411855571 /nfs/dbraw/zinc/85/55/71/411855571.db2.gz CFCWCNJUPJZZEC-GXFFZTMASA-N 1 2 248.330 0.878 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821556 411855852 /nfs/dbraw/zinc/85/58/52/411855852.db2.gz VZEDFPNNXMXAQX-MRVPVSSYSA-N 1 2 224.264 0.420 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821556 411855855 /nfs/dbraw/zinc/85/58/55/411855855.db2.gz VZEDFPNNXMXAQX-MRVPVSSYSA-N 1 2 224.264 0.420 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccnc(N)c1 ZINC000488315228 411857038 /nfs/dbraw/zinc/85/70/38/411857038.db2.gz PLPBSSHSFXLNPB-UHFFFAOYSA-N 1 2 246.318 0.814 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccnc(N)c1 ZINC000488315228 411857041 /nfs/dbraw/zinc/85/70/41/411857041.db2.gz PLPBSSHSFXLNPB-UHFFFAOYSA-N 1 2 246.318 0.814 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nnc3n1CCCC3)CC2 ZINC000661720040 411858039 /nfs/dbraw/zinc/85/80/39/411858039.db2.gz BNPAEHWHSPLXIM-GXFFZTMASA-N 1 2 248.330 0.571 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)CC2 ZINC000661720040 411858044 /nfs/dbraw/zinc/85/80/44/411858044.db2.gz BNPAEHWHSPLXIM-GXFFZTMASA-N 1 2 248.330 0.571 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721106 411858991 /nfs/dbraw/zinc/85/89/91/411858991.db2.gz OLFBRKDVVHNHKB-JOYOIKCWSA-N 1 2 236.319 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661721106 411858996 /nfs/dbraw/zinc/85/89/96/411858996.db2.gz OLFBRKDVVHNHKB-JOYOIKCWSA-N 1 2 236.319 0.885 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000661723755 411859844 /nfs/dbraw/zinc/85/98/44/411859844.db2.gz SQUQIPHQYSNEBH-POZPLHJXSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)no1 ZINC000661723755 411859847 /nfs/dbraw/zinc/85/98/47/411859847.db2.gz SQUQIPHQYSNEBH-POZPLHJXSA-N 1 2 223.276 0.896 20 0 BCADLO COC1(CNc2nc(C)[nH+]c(N)n2)CCCC1 ZINC000384019298 411861445 /nfs/dbraw/zinc/86/14/45/411861445.db2.gz PPYJUFNKBAXKEA-UHFFFAOYSA-N 1 2 237.307 0.555 20 0 BCADLO COC1(CNc2nc(N)nc(C)[nH+]2)CCCC1 ZINC000384019298 411861448 /nfs/dbraw/zinc/86/14/48/411861448.db2.gz PPYJUFNKBAXKEA-UHFFFAOYSA-N 1 2 237.307 0.555 20 0 BCADLO CC[C@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000661742945 411862637 /nfs/dbraw/zinc/86/26/37/411862637.db2.gz AIRAAGCHPFDJOO-SNVBAGLBSA-N 1 2 212.297 0.672 20 0 BCADLO CC[C@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000661742945 411862639 /nfs/dbraw/zinc/86/26/39/411862639.db2.gz AIRAAGCHPFDJOO-SNVBAGLBSA-N 1 2 212.297 0.672 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2COC(C)(C)C2)nn1 ZINC000661743413 411862961 /nfs/dbraw/zinc/86/29/61/411862961.db2.gz HLNUGHCGSDNOLQ-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2COC(C)(C)C2)nn1 ZINC000661743413 411862962 /nfs/dbraw/zinc/86/29/62/411862962.db2.gz HLNUGHCGSDNOLQ-JTQLQIEISA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117309 411886243 /nfs/dbraw/zinc/88/62/43/411886243.db2.gz LILDQIJCZGGMBA-CPCISQLKSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@H](C)[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117309 411886249 /nfs/dbraw/zinc/88/62/49/411886249.db2.gz LILDQIJCZGGMBA-CPCISQLKSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637829781 411886423 /nfs/dbraw/zinc/88/64/23/411886423.db2.gz PJKQFEIGLHCLQX-VIFPVBQESA-N 1 2 236.275 0.517 20 0 BCADLO CC1(C)C[N@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000351628619 411887715 /nfs/dbraw/zinc/88/77/15/411887715.db2.gz MZZUTQQRTBELJP-SECBINFHSA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000351628619 411887718 /nfs/dbraw/zinc/88/77/18/411887718.db2.gz MZZUTQQRTBELJP-SECBINFHSA-N 1 2 236.319 0.652 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(N)nc1 ZINC000647537684 411888373 /nfs/dbraw/zinc/88/83/73/411888373.db2.gz AJFVCMUGQWWUHN-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(N)nc1 ZINC000647537684 411888378 /nfs/dbraw/zinc/88/83/78/411888378.db2.gz AJFVCMUGQWWUHN-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CCc1nnc(C[N@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661805927 411888413 /nfs/dbraw/zinc/88/84/13/411888413.db2.gz ATWJAPLCZKCELW-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661805927 411888417 /nfs/dbraw/zinc/88/84/17/411888417.db2.gz ATWJAPLCZKCELW-UHFFFAOYSA-N 1 2 237.307 0.031 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000570719045 411890256 /nfs/dbraw/zinc/89/02/56/411890256.db2.gz HNIKHQACGZXREU-APPZFPTMSA-N 1 2 243.332 0.307 20 0 BCADLO CN1CC[N@H+](CC(=O)NC(C)(C)C)CCC1=O ZINC000661813372 411890263 /nfs/dbraw/zinc/89/02/63/411890263.db2.gz IWWGXHZOYMUXMV-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000570719045 411890259 /nfs/dbraw/zinc/89/02/59/411890259.db2.gz HNIKHQACGZXREU-APPZFPTMSA-N 1 2 243.332 0.307 20 0 BCADLO CN1CC[N@@H+](CC(=O)NC(C)(C)C)CCC1=O ZINC000661813372 411890265 /nfs/dbraw/zinc/89/02/65/411890265.db2.gz IWWGXHZOYMUXMV-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO Nc1[nH+]cnc(NC/C=C\CO)c1Cl ZINC000664237108 411892077 /nfs/dbraw/zinc/89/20/77/411892077.db2.gz RBVBPBSIDDBEAG-UPHRSURJSA-N 1 2 214.656 0.673 20 0 BCADLO Nc1nc[nH+]c(NC/C=C\CO)c1Cl ZINC000664237108 411892079 /nfs/dbraw/zinc/89/20/79/411892079.db2.gz RBVBPBSIDDBEAG-UPHRSURJSA-N 1 2 214.656 0.673 20 0 BCADLO CN1CC[C@@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1=O ZINC000637829783 411893357 /nfs/dbraw/zinc/89/33/57/411893357.db2.gz PLNSIEZYMFHEAY-LBPRGKRZSA-N 1 2 248.286 0.471 20 0 BCADLO CON1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631310484 411893517 /nfs/dbraw/zinc/89/35/17/411893517.db2.gz WULCFHXGKBHQDF-UHFFFAOYSA-N 1 2 238.295 0.200 20 0 BCADLO CON1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631310484 411893524 /nfs/dbraw/zinc/89/35/24/411893524.db2.gz WULCFHXGKBHQDF-UHFFFAOYSA-N 1 2 238.295 0.200 20 0 BCADLO CCC(O)(CC)CCNc1nc(C)[nH+]c(N)n1 ZINC000631241529 411897494 /nfs/dbraw/zinc/89/74/94/411897494.db2.gz ZJPHSRNRZMZMAY-UHFFFAOYSA-N 1 2 239.323 0.537 20 0 BCADLO CCC(O)(CC)CCNc1nc(N)nc(C)[nH+]1 ZINC000631241529 411897500 /nfs/dbraw/zinc/89/75/00/411897500.db2.gz ZJPHSRNRZMZMAY-UHFFFAOYSA-N 1 2 239.323 0.537 20 0 BCADLO CO[C@@H]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631191161 411897529 /nfs/dbraw/zinc/89/75/29/411897529.db2.gz CMBZDZIRQKOELD-DTWKUNHWSA-N 1 2 237.307 0.411 20 0 BCADLO CO[C@@H]1CCC[C@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631191161 411897531 /nfs/dbraw/zinc/89/75/31/411897531.db2.gz CMBZDZIRQKOELD-DTWKUNHWSA-N 1 2 237.307 0.411 20 0 BCADLO CNC(=O)CCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000575869040 411898341 /nfs/dbraw/zinc/89/83/41/411898341.db2.gz VQVXTGCXYRGSIL-UHFFFAOYSA-N 1 2 236.275 0.519 20 0 BCADLO CNC(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000647755890 411898772 /nfs/dbraw/zinc/89/87/72/411898772.db2.gz NFXKZDMYZJJYHP-UHFFFAOYSA-N 1 2 248.286 0.519 20 0 BCADLO CO[C@H]1C[C@@H](N(C)c2nc(C)[nH+]c(N)n2)C1 ZINC000631273701 411898861 /nfs/dbraw/zinc/89/88/61/411898861.db2.gz SEJBFETUPBEFCA-ZKCHVHJHSA-N 1 2 223.280 0.376 20 0 BCADLO CO[C@H]1C[C@@H](N(C)c2nc(N)nc(C)[nH+]2)C1 ZINC000631273701 411898864 /nfs/dbraw/zinc/89/88/64/411898864.db2.gz SEJBFETUPBEFCA-ZKCHVHJHSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(NC[C@H]2CCCSC2)nc(N)[nH+]1 ZINC000384095170 411943822 /nfs/dbraw/zinc/94/38/22/411943822.db2.gz CXKGQZSYBRLFSW-MRVPVSSYSA-N 1 2 239.348 0.739 20 0 BCADLO C[C@@H](c1nccc(N)n1)[NH+]1CCSCC1 ZINC000572226671 411901554 /nfs/dbraw/zinc/90/15/54/411901554.db2.gz DKJHMYTYEZRCIZ-QMMMGPOBSA-N 1 2 224.333 1.169 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCSC2)[nH+]1 ZINC000384095170 411943828 /nfs/dbraw/zinc/94/38/28/411943828.db2.gz CXKGQZSYBRLFSW-MRVPVSSYSA-N 1 2 239.348 0.739 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccnc(N)c1 ZINC000411371559 411903604 /nfs/dbraw/zinc/90/36/04/411903604.db2.gz YHGLSIYXZNWRLM-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccnc(N)c1 ZINC000411371559 411903607 /nfs/dbraw/zinc/90/36/07/411903607.db2.gz YHGLSIYXZNWRLM-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BCADLO COC(=O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000602871628 411903667 /nfs/dbraw/zinc/90/36/67/411903667.db2.gz RYJRCLUTXKXKKD-UHFFFAOYSA-N 1 2 240.263 0.004 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccnc(N)c1 ZINC000411569554 411904747 /nfs/dbraw/zinc/90/47/47/411904747.db2.gz MOBFXCUULBHOBP-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccnc(N)c1 ZINC000411569554 411904754 /nfs/dbraw/zinc/90/47/54/411904754.db2.gz MOBFXCUULBHOBP-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(N)nc1 ZINC000647537868 411905266 /nfs/dbraw/zinc/90/52/66/411905266.db2.gz RDTOCBPLNUXEMY-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(N)nc1 ZINC000647537868 411905269 /nfs/dbraw/zinc/90/52/69/411905269.db2.gz RDTOCBPLNUXEMY-SECBINFHSA-N 1 2 234.303 0.326 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC000578258426 411914345 /nfs/dbraw/zinc/91/43/45/411914345.db2.gz NBZCZNBVLJXCTF-UHFFFAOYSA-N 1 2 231.259 0.625 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cccn2C)c[nH+]1 ZINC000552019082 411915873 /nfs/dbraw/zinc/91/58/73/411915873.db2.gz FDQSVSQBZITXTO-UHFFFAOYSA-N 1 2 245.286 0.636 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631097012 411917348 /nfs/dbraw/zinc/91/73/48/411917348.db2.gz OPOXPZNXLAECFO-ZCFIWIBFSA-N 1 2 247.306 0.399 20 0 BCADLO Cc1nn(C)cc1[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631097012 411917352 /nfs/dbraw/zinc/91/73/52/411917352.db2.gz OPOXPZNXLAECFO-ZCFIWIBFSA-N 1 2 247.306 0.399 20 0 BCADLO Cc1nc(NCCCOC(C)(C)C)nc(N)[nH+]1 ZINC000631359681 411943143 /nfs/dbraw/zinc/94/31/43/411943143.db2.gz FCOTZYRQPZAANS-UHFFFAOYSA-N 1 2 239.323 0.801 20 0 BCADLO Cc1nc(N)nc(NCCCOC(C)(C)C)[nH+]1 ZINC000631359681 411943149 /nfs/dbraw/zinc/94/31/49/411943149.db2.gz FCOTZYRQPZAANS-UHFFFAOYSA-N 1 2 239.323 0.801 20 0 BCADLO Nc1nc(NCc2cc[nH]n2)[nH+]c2ccccc12 ZINC000539184907 411929173 /nfs/dbraw/zinc/92/91/73/411929173.db2.gz IEHCKBJEANTPLT-UHFFFAOYSA-N 1 2 240.270 0.969 20 0 BCADLO Cc1nc(N(C)[C@@H](CO)CC(C)C)nc(N)[nH+]1 ZINC000631214316 411937153 /nfs/dbraw/zinc/93/71/53/411937153.db2.gz WKAOIDXZAVLCGY-SECBINFHSA-N 1 2 239.323 0.605 20 0 BCADLO Cc1nc(N)nc(N(C)[C@@H](CO)CC(C)C)[nH+]1 ZINC000631214316 411937158 /nfs/dbraw/zinc/93/71/58/411937158.db2.gz WKAOIDXZAVLCGY-SECBINFHSA-N 1 2 239.323 0.605 20 0 BCADLO Cc1nc(N(C)Cc2ccoc2)nc(N)[nH+]1 ZINC000631069802 411943653 /nfs/dbraw/zinc/94/36/53/411943653.db2.gz IBDKAGPBKMAXRD-UHFFFAOYSA-N 1 2 219.248 0.992 20 0 BCADLO Cc1nc(N)nc(N(C)Cc2ccoc2)[nH+]1 ZINC000631069802 411943657 /nfs/dbraw/zinc/94/36/57/411943657.db2.gz IBDKAGPBKMAXRD-UHFFFAOYSA-N 1 2 219.248 0.992 20 0 BCADLO Cc1nc(NCCC2(F)CCC2)nc(N)[nH+]1 ZINC000631282882 411940740 /nfs/dbraw/zinc/94/07/40/411940740.db2.gz ACFSKDXAKXGNDZ-UHFFFAOYSA-N 1 2 225.271 0.878 20 0 BCADLO Cc1nc(N)nc(NCCC2(F)CCC2)[nH+]1 ZINC000631282882 411940745 /nfs/dbraw/zinc/94/07/45/411940745.db2.gz ACFSKDXAKXGNDZ-UHFFFAOYSA-N 1 2 225.271 0.878 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631141869 411876490 /nfs/dbraw/zinc/87/64/90/411876490.db2.gz KCEFWGOAFZRNPF-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631141869 411876497 /nfs/dbraw/zinc/87/64/97/411876497.db2.gz KCEFWGOAFZRNPF-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661765816 411876911 /nfs/dbraw/zinc/87/69/11/411876911.db2.gz QZLUFHYRTPSMPG-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661765816 411876917 /nfs/dbraw/zinc/87/69/17/411876917.db2.gz QZLUFHYRTPSMPG-DTWKUNHWSA-N 1 2 241.291 0.561 20 0 BCADLO CC(C)c1nc(NCCc2nc(N)no2)cc[nH+]1 ZINC000444080334 411882849 /nfs/dbraw/zinc/88/28/49/411882849.db2.gz RKXBGRQWVGUXBX-UHFFFAOYSA-N 1 2 248.290 0.642 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2CCCO2)[nH+]1 ZINC000664180480 411883324 /nfs/dbraw/zinc/88/33/24/411883324.db2.gz ZBESJKJOCJBDHI-VIFPVBQESA-N 1 2 237.307 0.837 20 0 BCADLO Cc1nc(NC[C@@H]2CCCO2)nc(N(C)C)[nH+]1 ZINC000664180480 411883327 /nfs/dbraw/zinc/88/33/27/411883327.db2.gz ZBESJKJOCJBDHI-VIFPVBQESA-N 1 2 237.307 0.837 20 0 BCADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H](C)O1 ZINC000631115170 411884773 /nfs/dbraw/zinc/88/47/73/411884773.db2.gz IYPYDNFBNPYSIN-VXNVDRBHSA-N 1 2 237.307 0.766 20 0 BCADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@@H](C)O1 ZINC000631115170 411884776 /nfs/dbraw/zinc/88/47/76/411884776.db2.gz IYPYDNFBNPYSIN-VXNVDRBHSA-N 1 2 237.307 0.766 20 0 BCADLO Cc1nc(N2CCC[C@@H]2C(C)(C)O)nc(N)[nH+]1 ZINC000631183959 411964042 /nfs/dbraw/zinc/96/40/42/411964042.db2.gz FWUCDUNIRUDRNL-MRVPVSSYSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2C(C)(C)O)[nH+]1 ZINC000631183959 411964045 /nfs/dbraw/zinc/96/40/45/411964045.db2.gz FWUCDUNIRUDRNL-MRVPVSSYSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N2CCC[C@@H]2[C@@H](C)O)nc(N)[nH+]1 ZINC000631362075 411964188 /nfs/dbraw/zinc/96/41/88/411964188.db2.gz UBQXNHZMLCUDCG-HTRCEHHLSA-N 1 2 223.280 0.112 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2[C@@H](C)O)[nH+]1 ZINC000631362075 411964190 /nfs/dbraw/zinc/96/41/90/411964190.db2.gz UBQXNHZMLCUDCG-HTRCEHHLSA-N 1 2 223.280 0.112 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@H](CO)C2)nc(N)[nH+]1 ZINC000631379681 411964657 /nfs/dbraw/zinc/96/46/57/411964657.db2.gz JSYUUXFPVUPPMM-APPZFPTMSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@H](CO)C2)[nH+]1 ZINC000631379681 411964659 /nfs/dbraw/zinc/96/46/59/411964659.db2.gz JSYUUXFPVUPPMM-APPZFPTMSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N2CCC[C@H]2[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000631266461 411964736 /nfs/dbraw/zinc/96/47/36/411964736.db2.gz JRKZQCAPOZZDLX-UWVGGRQHSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]2[C@@H]2CCCO2)[nH+]1 ZINC000631266461 411964739 /nfs/dbraw/zinc/96/47/39/411964739.db2.gz JRKZQCAPOZZDLX-UWVGGRQHSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@H](CO)C2)nc(N)[nH+]1 ZINC000631379683 411964802 /nfs/dbraw/zinc/96/48/02/411964802.db2.gz JSYUUXFPVUPPMM-CBAPKCEASA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@H](CO)C2)[nH+]1 ZINC000631379683 411964804 /nfs/dbraw/zinc/96/48/04/411964804.db2.gz JSYUUXFPVUPPMM-CBAPKCEASA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N[C@@H]2CO[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631390998 411966873 /nfs/dbraw/zinc/96/68/73/411966873.db2.gz BORVBKRRWMYGJL-IUCAKERBSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CO[C@H](C3CC3)C2)[nH+]1 ZINC000631390998 411966877 /nfs/dbraw/zinc/96/68/77/411966877.db2.gz BORVBKRRWMYGJL-IUCAKERBSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N[C@H](CO)CC(C)(C)C)nc(N)[nH+]1 ZINC000393472771 411966890 /nfs/dbraw/zinc/96/68/90/411966890.db2.gz GFTGIHQVDIPRBN-QMMMGPOBSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CC(C)(C)C)[nH+]1 ZINC000393472771 411966895 /nfs/dbraw/zinc/96/68/95/411966895.db2.gz GFTGIHQVDIPRBN-QMMMGPOBSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N[C@H](CO)C(C)C)nc(N)[nH+]1 ZINC000379906520 411967198 /nfs/dbraw/zinc/96/71/98/411967198.db2.gz KHCDIJYBQGSBJU-SSDOTTSWSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000379906520 411967202 /nfs/dbraw/zinc/96/72/02/411967202.db2.gz KHCDIJYBQGSBJU-SSDOTTSWSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N[C@H]2CCCOCC2)nc(N)[nH+]1 ZINC000381623672 411968582 /nfs/dbraw/zinc/96/85/82/411968582.db2.gz JUXZNVYYRIOBBQ-QMMMGPOBSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCCOCC2)[nH+]1 ZINC000381623672 411968584 /nfs/dbraw/zinc/96/85/84/411968584.db2.gz JUXZNVYYRIOBBQ-QMMMGPOBSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N[C@H](CO)CC(F)F)nc(N)[nH+]1 ZINC000631245825 411969363 /nfs/dbraw/zinc/96/93/63/411969363.db2.gz CKKYIFYXINNWRL-YFKPBYRVSA-N 1 2 233.222 0.190 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CC(F)F)[nH+]1 ZINC000631245825 411969368 /nfs/dbraw/zinc/96/93/68/411969368.db2.gz CKKYIFYXINNWRL-YFKPBYRVSA-N 1 2 233.222 0.190 20 0 BCADLO Nc1noc(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000531253381 411973620 /nfs/dbraw/zinc/97/36/20/411973620.db2.gz QHAQMJCZEWXWEE-UHFFFAOYSA-N 1 2 246.274 0.396 20 0 BCADLO Cn1ncc2c1nc(N1CC[C@H]3C[C@H]3C1)[nH+]c2N ZINC000664526189 411977809 /nfs/dbraw/zinc/97/78/09/411977809.db2.gz TYWVNOKJVGXPFN-YUMQZZPRSA-N 1 2 244.302 0.792 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]cc[nH+]2)c(N)n1 ZINC000622366784 411978003 /nfs/dbraw/zinc/97/80/03/411978003.db2.gz PIGDFBVZTCQOAU-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO CC[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662091382 411984870 /nfs/dbraw/zinc/98/48/70/411984870.db2.gz FQNDJNGTFWRLGE-RKDXNWHRSA-N 1 2 240.307 0.551 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCc2nccnc2C1 ZINC000662124104 411993075 /nfs/dbraw/zinc/99/30/75/411993075.db2.gz DSLUGCKHTHTIPZ-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCc2nccnc2C1 ZINC000662124104 411993078 /nfs/dbraw/zinc/99/30/78/411993078.db2.gz DSLUGCKHTHTIPZ-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000664603025 411995476 /nfs/dbraw/zinc/99/54/76/411995476.db2.gz NVYAHGKGISUZGR-HQJQHLMTSA-N 1 2 236.275 0.870 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000664603025 411995478 /nfs/dbraw/zinc/99/54/78/411995478.db2.gz NVYAHGKGISUZGR-HQJQHLMTSA-N 1 2 236.275 0.870 20 0 BCADLO CNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662162052 412012554 /nfs/dbraw/zinc/01/25/54/412012554.db2.gz NAARXPMWHGNQRQ-JTQLQIEISA-N 1 2 244.241 0.334 20 0 BCADLO Cc1nc(NC[C@H]2CCOC[C@H]2C)nc(N)[nH+]1 ZINC000631277257 411943906 /nfs/dbraw/zinc/94/39/06/411943906.db2.gz XSEZDVXTMDXZLN-VXNVDRBHSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCOC[C@H]2C)[nH+]1 ZINC000631277257 411943908 /nfs/dbraw/zinc/94/39/08/411943908.db2.gz XSEZDVXTMDXZLN-VXNVDRBHSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000401466989 411944212 /nfs/dbraw/zinc/94/42/12/411944212.db2.gz VRCOIBKBJHUTPS-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N(C)[C@@H]2CCCOC2)[nH+]1 ZINC000401466989 411944216 /nfs/dbraw/zinc/94/42/16/411944216.db2.gz VRCOIBKBJHUTPS-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(NCc2cccnc2C)nc(N)[nH+]1 ZINC000631388781 411944300 /nfs/dbraw/zinc/94/43/00/411944300.db2.gz IOFMRTLPVKTDLI-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1nc(N)nc(NCc2cccnc2C)[nH+]1 ZINC000631388781 411944301 /nfs/dbraw/zinc/94/43/01/411944301.db2.gz IOFMRTLPVKTDLI-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1nc(NC[C@H](O)CC(C)(C)C)nc(N)[nH+]1 ZINC000383573834 411944428 /nfs/dbraw/zinc/94/44/28/411944428.db2.gz KOGRUMITELBFBM-MRVPVSSYSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)CC(C)(C)C)[nH+]1 ZINC000383573834 411944430 /nfs/dbraw/zinc/94/44/30/411944430.db2.gz KOGRUMITELBFBM-MRVPVSSYSA-N 1 2 239.323 0.393 20 0 BCADLO Cc1nc(N(CCCCO)C2CC2)nc(N)[nH+]1 ZINC000631148454 411945301 /nfs/dbraw/zinc/94/53/01/411945301.db2.gz VTBKZKWSHQOQFT-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO Cc1nc(N)nc(N(CCCCO)C2CC2)[nH+]1 ZINC000631148454 411945305 /nfs/dbraw/zinc/94/53/05/411945305.db2.gz VTBKZKWSHQOQFT-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@]3(O)C[C@H]3C2)c1Cl ZINC000664423264 411951814 /nfs/dbraw/zinc/95/18/14/411951814.db2.gz VQNBEHVZMARRST-QUBYGPBYSA-N 1 2 240.694 0.673 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@]3(O)C[C@H]3C2)c1Cl ZINC000664423264 411951816 /nfs/dbraw/zinc/95/18/16/411951816.db2.gz VQNBEHVZMARRST-QUBYGPBYSA-N 1 2 240.694 0.673 20 0 BCADLO Cc1cc(CC(=O)Nc2ccc(N)[nH+]c2)n(C)n1 ZINC000521625136 411952209 /nfs/dbraw/zinc/95/22/09/411952209.db2.gz HKTNPNHMKLSQSD-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO Nc1ccc(CNC(=O)NCC(F)F)c[nH+]1 ZINC000640196793 411954478 /nfs/dbraw/zinc/95/44/78/411954478.db2.gz NWOSGFMJNMVEOT-UHFFFAOYSA-N 1 2 230.218 0.728 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038797 411954499 /nfs/dbraw/zinc/95/44/99/411954499.db2.gz XCJGPIPEQPEPLN-UWVGGRQHSA-N 1 2 236.319 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038797 411954505 /nfs/dbraw/zinc/95/45/05/411954505.db2.gz XCJGPIPEQPEPLN-UWVGGRQHSA-N 1 2 236.319 0.835 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1(O)CCC1 ZINC000568295012 411957052 /nfs/dbraw/zinc/95/70/52/411957052.db2.gz MJKQBJKEIOORHG-UHFFFAOYSA-N 1 2 248.290 0.272 20 0 BCADLO Nc1ccc(CNC(=O)Nc2cncnc2)c[nH+]1 ZINC000338432490 411957076 /nfs/dbraw/zinc/95/70/76/411957076.db2.gz NUDPCBLDMVOCEV-UHFFFAOYSA-N 1 2 244.258 0.776 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CCCO1 ZINC000579734279 411957551 /nfs/dbraw/zinc/95/75/51/411957551.db2.gz TWKLUPNGOUPKQK-SSDOTTSWSA-N 1 2 248.290 0.536 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CCCO1 ZINC000579734283 411958285 /nfs/dbraw/zinc/95/82/85/411958285.db2.gz TWKLUPNGOUPKQK-ZETCQYMHSA-N 1 2 248.290 0.536 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC1(CO)CCC1 ZINC000578206066 411958591 /nfs/dbraw/zinc/95/85/91/411958591.db2.gz GBVWURYMCZJXSY-UHFFFAOYSA-N 1 2 248.290 0.272 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@H]3CCOC3)C2)nc(N)[nH+]1 ZINC000631177203 411960398 /nfs/dbraw/zinc/96/03/98/411960398.db2.gz IENGJULIWUXKIZ-ZJUUUORDSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000631177203 411960402 /nfs/dbraw/zinc/96/04/02/411960402.db2.gz IENGJULIWUXKIZ-ZJUUUORDSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631379685 411963238 /nfs/dbraw/zinc/96/32/38/411963238.db2.gz JSYUUXFPVUPPMM-IONNQARKSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@@H](CO)C2)[nH+]1 ZINC000631379685 411963242 /nfs/dbraw/zinc/96/32/42/411963242.db2.gz JSYUUXFPVUPPMM-IONNQARKSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@H](F)C2)nc(N)[nH+]1 ZINC000631196287 411963678 /nfs/dbraw/zinc/96/36/78/411963678.db2.gz JVCMPRLJNWLUQY-POYBYMJQSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@H](F)C2)[nH+]1 ZINC000631196287 411963682 /nfs/dbraw/zinc/96/36/82/411963682.db2.gz JVCMPRLJNWLUQY-POYBYMJQSA-N 1 2 225.271 0.947 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC1=CCSC1 ZINC000662268848 412059391 /nfs/dbraw/zinc/05/93/91/412059391.db2.gz NLHVPYJAEXSGIM-UHFFFAOYSA-N 1 2 225.321 0.315 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC1=CCSC1 ZINC000662268848 412059394 /nfs/dbraw/zinc/05/93/94/412059394.db2.gz NLHVPYJAEXSGIM-UHFFFAOYSA-N 1 2 225.321 0.315 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292552315 171024140 /nfs/dbraw/zinc/02/41/40/171024140.db2.gz YQEJODCMRHCNLX-MRVPVSSYSA-N 1 2 236.323 0.504 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292552315 171024142 /nfs/dbraw/zinc/02/41/42/171024142.db2.gz YQEJODCMRHCNLX-MRVPVSSYSA-N 1 2 236.323 0.504 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000336754925 171044216 /nfs/dbraw/zinc/04/42/16/171044216.db2.gz HUCSAEFZBZYSRS-QCLAVDOMSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000336754924 171045358 /nfs/dbraw/zinc/04/53/58/171045358.db2.gz HUCSAEFZBZYSRS-JXUBOQSCSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@@H]1C[N@H+](CCC(=O)OC)C[C@@H](C)[S@@]1=O ZINC000352895602 171079487 /nfs/dbraw/zinc/07/94/87/171079487.db2.gz DOBZNEVDBBDTRO-LYGAQUJYSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@@H+](CCC(=O)OC)C[C@@H](C)[S@@]1=O ZINC000352895602 171079490 /nfs/dbraw/zinc/07/94/90/171079490.db2.gz DOBZNEVDBBDTRO-LYGAQUJYSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000111274133 171080487 /nfs/dbraw/zinc/08/04/87/171080487.db2.gz AZXFXCRGHQFTRH-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000111274133 171080489 /nfs/dbraw/zinc/08/04/89/171080489.db2.gz AZXFXCRGHQFTRH-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@H+](CCOC)C[C@@H](C)[S@]1=O ZINC000352894516 171080518 /nfs/dbraw/zinc/08/05/18/171080518.db2.gz SYIUNYBDCRYPNU-GPCCPHFNSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOC)C[C@@H](C)[S@]1=O ZINC000352894516 171080523 /nfs/dbraw/zinc/08/05/23/171080523.db2.gz SYIUNYBDCRYPNU-GPCCPHFNSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnn[nH]2)CCCO1 ZINC000331610214 171091441 /nfs/dbraw/zinc/09/14/41/171091441.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnn[nH]2)CCCO1 ZINC000331610214 171091443 /nfs/dbraw/zinc/09/14/43/171091443.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2c[nH]nn2)CCCO1 ZINC000331610214 171091445 /nfs/dbraw/zinc/09/14/45/171091445.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2c[nH]nn2)CCCO1 ZINC000331610214 171091449 /nfs/dbraw/zinc/09/14/49/171091449.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cn[nH]n2)CCCO1 ZINC000331610214 171091451 /nfs/dbraw/zinc/09/14/51/171091451.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]n2)CCCO1 ZINC000331610214 171091453 /nfs/dbraw/zinc/09/14/53/171091453.db2.gz CSEPTYCTVZRFBA-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2noc(COC)n2)C[C@H]1O ZINC000356252786 171093611 /nfs/dbraw/zinc/09/36/11/171093611.db2.gz LPOHHQPFKSDBDQ-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2noc(COC)n2)C[C@H]1O ZINC000356252786 171093612 /nfs/dbraw/zinc/09/36/12/171093612.db2.gz LPOHHQPFKSDBDQ-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000115576223 171106203 /nfs/dbraw/zinc/10/62/03/171106203.db2.gz PTICCIUSQGAGPQ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000115576223 171106205 /nfs/dbraw/zinc/10/62/05/171106205.db2.gz PTICCIUSQGAGPQ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)CCn1cc[nH+]c1 ZINC000226526481 171163344 /nfs/dbraw/zinc/16/33/44/171163344.db2.gz DWINKBZTIFGDJD-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO CC[C@@](C)([NH2+]CCC(=O)NC(C)C)C(=O)OC ZINC000352866280 171173520 /nfs/dbraw/zinc/17/35/20/171173520.db2.gz GJQOSAUEHKNNNH-GFCCVEGCSA-N 1 2 244.335 0.832 20 0 BCADLO O=S1(=O)CCC[C@H]([NH2+]C(CF)CF)C1 ZINC000894666083 583502215 /nfs/dbraw/zinc/50/22/15/583502215.db2.gz FNYQJAIDKBUCHW-ZETCQYMHSA-N 1 2 227.276 0.461 20 0 BCADLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331296176 171239962 /nfs/dbraw/zinc/23/99/62/171239962.db2.gz NYJTXWAQZHJKKM-UTLUCORTSA-N 1 2 245.319 0.144 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(CC(F)F)CC1 ZINC000339136934 171244204 /nfs/dbraw/zinc/24/42/04/171244204.db2.gz REDCFQUOWDTAQQ-MRVPVSSYSA-N 1 2 235.278 0.133 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000366725036 171245197 /nfs/dbraw/zinc/24/51/97/171245197.db2.gz VJSGDEWPGSHFSK-WDEREUQCSA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000366725036 171245199 /nfs/dbraw/zinc/24/51/99/171245199.db2.gz VJSGDEWPGSHFSK-WDEREUQCSA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000359562825 171261368 /nfs/dbraw/zinc/26/13/68/171261368.db2.gz YWTVSTSDASYKJI-RYUDHWBXSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000359562825 171261369 /nfs/dbraw/zinc/26/13/69/171261369.db2.gz YWTVSTSDASYKJI-RYUDHWBXSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCc1[nH+]ccn1C ZINC000272336991 171291815 /nfs/dbraw/zinc/29/18/15/171291815.db2.gz GQJKBIGDECIIME-VIFPVBQESA-N 1 2 245.348 0.886 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)NC(C)C)CC(=O)OC ZINC000337224072 171311309 /nfs/dbraw/zinc/31/13/09/171311309.db2.gz DLBBQGRFRCCZMX-JTQLQIEISA-N 1 2 244.335 0.785 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)NC(C)C)CC(=O)OC ZINC000337224072 171311311 /nfs/dbraw/zinc/31/13/11/171311311.db2.gz DLBBQGRFRCCZMX-JTQLQIEISA-N 1 2 244.335 0.785 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N(C)CC ZINC000337221705 171311335 /nfs/dbraw/zinc/31/13/35/171311335.db2.gz CMTIQBTXRGKLDO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N(C)CC ZINC000337221705 171311337 /nfs/dbraw/zinc/31/13/37/171311337.db2.gz CMTIQBTXRGKLDO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000310321117 171315105 /nfs/dbraw/zinc/31/51/05/171315105.db2.gz WWTAFQYLAISBSP-VIFPVBQESA-N 1 2 239.323 0.601 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000310321117 171315106 /nfs/dbraw/zinc/31/51/06/171315106.db2.gz WWTAFQYLAISBSP-VIFPVBQESA-N 1 2 239.323 0.601 20 0 BCADLO CC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000042844814 171329459 /nfs/dbraw/zinc/32/94/59/171329459.db2.gz ZEOQLBKMABOAIW-VIFPVBQESA-N 1 2 210.281 0.981 20 0 BCADLO CC[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047576881 171329905 /nfs/dbraw/zinc/32/99/05/171329905.db2.gz OIPOMJRXHPISMR-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000073643464 171333469 /nfs/dbraw/zinc/33/34/69/171333469.db2.gz QVOQPZMEPOOURG-UWVGGRQHSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000073643464 171333472 /nfs/dbraw/zinc/33/34/72/171333472.db2.gz QVOQPZMEPOOURG-UWVGGRQHSA-N 1 2 243.351 0.310 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000236989441 171335177 /nfs/dbraw/zinc/33/51/77/171335177.db2.gz YQEAXHSDODNJCT-IUCAKERBSA-N 1 2 224.308 0.803 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119854956 171354082 /nfs/dbraw/zinc/35/40/82/171354082.db2.gz GCRUQHJTKMHBBJ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)OCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119854956 171354083 /nfs/dbraw/zinc/35/40/83/171354083.db2.gz GCRUQHJTKMHBBJ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000309582138 171374259 /nfs/dbraw/zinc/37/42/59/171374259.db2.gz QQMUQXYTZMLSFX-IVZWLZJFSA-N 1 2 233.308 0.171 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339289554 171377356 /nfs/dbraw/zinc/37/73/56/171377356.db2.gz LKFCQYDLSJNSNL-XVKPBYJWSA-N 1 2 225.292 0.855 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H](C)O)C(=O)OC ZINC000192797555 171399884 /nfs/dbraw/zinc/39/98/84/171399884.db2.gz OQWMTZBPPIHBSM-CIUDSAMLSA-N 1 2 203.282 0.545 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC1 ZINC000665124738 412103839 /nfs/dbraw/zinc/10/38/39/412103839.db2.gz LZMUXDQFXQPKFC-RKDXNWHRSA-N 1 2 205.261 0.802 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662360826 412122987 /nfs/dbraw/zinc/12/29/87/412122987.db2.gz SPLBNFPTYILQPP-XSSZXYGBSA-N 1 2 236.262 0.605 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662360826 412122993 /nfs/dbraw/zinc/12/29/93/412122993.db2.gz SPLBNFPTYILQPP-XSSZXYGBSA-N 1 2 236.262 0.605 20 0 BCADLO Cn1ccnc(NC(C)(C)c2[nH]cc[nH+]2)c1=O ZINC000641665073 412134239 /nfs/dbraw/zinc/13/42/39/412134239.db2.gz QPLRKLCPBDXHHV-UHFFFAOYSA-N 1 2 233.275 0.851 20 0 BCADLO Cn1ncc2c1nc(NCCCCF)[nH+]c2N ZINC000359968138 412193548 /nfs/dbraw/zinc/19/35/48/412193548.db2.gz NNSZZFDVXGJGAB-UHFFFAOYSA-N 1 2 238.270 1.107 20 0 BCADLO C[C@H](CCO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000361815538 412199211 /nfs/dbraw/zinc/19/92/11/412199211.db2.gz QGPFGWIYGBYQQH-SNVBAGLBSA-N 1 2 232.287 1.450 20 0 BCADLO Cn1nnc(CNc2[nH+]c3ccccc3n2C)n1 ZINC000398055749 412201466 /nfs/dbraw/zinc/20/14/66/412201466.db2.gz DVNGOJCFJUJEJD-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO CC[C@H]([NH2+]CCC(=O)OC(C)C)C(=O)OC ZINC000336739788 171518200 /nfs/dbraw/zinc/51/82/00/171518200.db2.gz PLMBSIYZWUOZCT-VIFPVBQESA-N 1 2 231.292 0.869 20 0 BCADLO Cn1c[nH+]cc1CNc1ncnc2c1CCC2 ZINC000388424304 412160736 /nfs/dbraw/zinc/16/07/36/412160736.db2.gz JLDDOVKHQXWANP-UHFFFAOYSA-N 1 2 229.287 1.311 20 0 BCADLO CC[C@H](O)CCNC(=O)NCc1[nH+]ccn1C ZINC000268775813 171557740 /nfs/dbraw/zinc/55/77/40/171557740.db2.gz COPBOFQEHINLLW-VIFPVBQESA-N 1 2 240.307 0.380 20 0 BCADLO C[C@H](F)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000338748906 412214346 /nfs/dbraw/zinc/21/43/46/412214346.db2.gz CWBWWSGBZWWGSN-LURJTMIESA-N 1 2 238.270 1.106 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cccnn1 ZINC000624621183 412255322 /nfs/dbraw/zinc/25/53/22/412255322.db2.gz WHLQVGXOTCYERB-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cccnn1 ZINC000624621183 412255326 /nfs/dbraw/zinc/25/53/26/412255326.db2.gz WHLQVGXOTCYERB-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cnccn1 ZINC000624619167 412256244 /nfs/dbraw/zinc/25/62/44/412256244.db2.gz XAFFSAKTHYKVDP-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cnccn1 ZINC000624619167 412256249 /nfs/dbraw/zinc/25/62/49/412256249.db2.gz XAFFSAKTHYKVDP-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1nc2ccccn2n1 ZINC000624622309 412256394 /nfs/dbraw/zinc/25/63/94/412256394.db2.gz VZPMSBHSCARJBG-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1nc2ccccn2n1 ZINC000624622309 412256400 /nfs/dbraw/zinc/25/64/00/412256400.db2.gz VZPMSBHSCARJBG-SNVBAGLBSA-N 1 2 247.302 0.472 20 0 BCADLO C[N@@H+]1CCc2ncnc(NCC3COC3)c2C1 ZINC000528227071 412257069 /nfs/dbraw/zinc/25/70/69/412257069.db2.gz XTAHZVDYGGRMFZ-UHFFFAOYSA-N 1 2 234.303 0.523 20 0 BCADLO C[N@H+]1CCc2ncnc(NCC3COC3)c2C1 ZINC000528227071 412257072 /nfs/dbraw/zinc/25/70/72/412257072.db2.gz XTAHZVDYGGRMFZ-UHFFFAOYSA-N 1 2 234.303 0.523 20 0 BCADLO CC(C)(Nc1nccn2cnnc12)c1[nH]cc[nH+]1 ZINC000641662409 412257353 /nfs/dbraw/zinc/25/73/53/412257353.db2.gz BXXODYYBMZLYNP-UHFFFAOYSA-N 1 2 243.274 1.195 20 0 BCADLO CNC(=O)C[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000450845813 412264337 /nfs/dbraw/zinc/26/43/37/412264337.db2.gz NWGXBTMILPVFGV-VIFPVBQESA-N 1 2 236.319 1.537 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000573336485 412281258 /nfs/dbraw/zinc/28/12/58/412281258.db2.gz RKKDTVSAXSASAG-ZETCQYMHSA-N 1 2 247.302 1.567 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000573336485 412281260 /nfs/dbraw/zinc/28/12/60/412281260.db2.gz RKKDTVSAXSASAG-ZETCQYMHSA-N 1 2 247.302 1.567 20 0 BCADLO C[N@H+](CCn1cccn1)CC(=O)Nc1ccon1 ZINC000600696741 412219797 /nfs/dbraw/zinc/21/97/97/412219797.db2.gz MUDHHARWHQBFGK-UHFFFAOYSA-N 1 2 249.274 0.442 20 0 BCADLO C[N@@H+](CCn1cccn1)CC(=O)Nc1ccon1 ZINC000600696741 412219801 /nfs/dbraw/zinc/21/98/01/412219801.db2.gz MUDHHARWHQBFGK-UHFFFAOYSA-N 1 2 249.274 0.442 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1nncs1 ZINC000647926042 412234654 /nfs/dbraw/zinc/23/46/54/412234654.db2.gz PYIROSAJAXHDIJ-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO CC(C)(C)c1nc(N[C@@H]2COC[C@@H]2O)cc[nH+]1 ZINC000631431565 412238901 /nfs/dbraw/zinc/23/89/01/412238901.db2.gz UESDWQKSJJKBTB-BDAKNGLRSA-N 1 2 237.303 0.946 20 0 BCADLO C[C@H](Nc1nncs1)[C@H](C)[NH+]1CCOCC1 ZINC000582341575 412249537 /nfs/dbraw/zinc/24/95/37/412249537.db2.gz WMOGKFHFHWHAQY-IUCAKERBSA-N 1 2 242.348 1.059 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@H]2CC23CC3)[nH+]cn1 ZINC000572977418 412249601 /nfs/dbraw/zinc/24/96/01/412249601.db2.gz UMXFLGUQDDVHMH-VHSXEESVSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@H]2CC23CC3)nc[nH+]1 ZINC000572977418 412249604 /nfs/dbraw/zinc/24/96/04/412249604.db2.gz UMXFLGUQDDVHMH-VHSXEESVSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@H](O)CCn1c2ccccc2[nH+]c1NCCO ZINC000418767785 412249744 /nfs/dbraw/zinc/24/97/44/412249744.db2.gz SSPOGAPSPWVUNI-JTQLQIEISA-N 1 2 249.314 1.211 20 0 BCADLO CC(C)(O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000370612098 412253834 /nfs/dbraw/zinc/25/38/34/412253834.db2.gz IEGNDEKCZZNNBG-UHFFFAOYSA-N 1 2 232.287 1.450 20 0 BCADLO CC(C)[C@@H](CO)CNc1nc[nH+]c(N)c1Cl ZINC000336673828 412309116 /nfs/dbraw/zinc/30/91/16/412309116.db2.gz OSYHXEIWONKAGZ-SSDOTTSWSA-N 1 2 244.726 1.389 20 0 BCADLO CC(C)[C@@H](CO)CNc1[nH+]cnc(N)c1Cl ZINC000336673828 412309120 /nfs/dbraw/zinc/30/91/20/412309120.db2.gz OSYHXEIWONKAGZ-SSDOTTSWSA-N 1 2 244.726 1.389 20 0 BCADLO COC(=O)C1(CNc2nc[nH+]c3c2CCC3)CC1 ZINC000547617635 412324007 /nfs/dbraw/zinc/32/40/07/412324007.db2.gz SASQHUMVKQTVGW-UHFFFAOYSA-N 1 2 247.298 1.330 20 0 BCADLO CC(C)c1nc(N[C@H]2CCCNC2=O)cc[nH+]1 ZINC000565991564 412324070 /nfs/dbraw/zinc/32/40/70/412324070.db2.gz KYPYEKRPQGMLDT-VIFPVBQESA-N 1 2 234.303 1.291 20 0 BCADLO CC/C=C\CNc1nc[nH+]c(N)c1OC ZINC000576052374 412327790 /nfs/dbraw/zinc/32/77/90/412327790.db2.gz IYWOHAMSTRIRIV-PLNGDYQASA-N 1 2 208.265 1.446 20 0 BCADLO CC/C=C\CNc1[nH+]cnc(N)c1OC ZINC000576052374 412327793 /nfs/dbraw/zinc/32/77/93/412327793.db2.gz IYWOHAMSTRIRIV-PLNGDYQASA-N 1 2 208.265 1.446 20 0 BCADLO COC[C@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000665474835 412332725 /nfs/dbraw/zinc/33/27/25/412332725.db2.gz HFOAKGWEXNMADS-VIFPVBQESA-N 1 2 241.291 0.040 20 0 BCADLO COC(=O)[C@H](C)CNc1nc(C)[nH+]cc1C ZINC000578668789 412336568 /nfs/dbraw/zinc/33/65/68/412336568.db2.gz PPNNFVUKPRSONR-MRVPVSSYSA-N 1 2 223.276 1.314 20 0 BCADLO CCCN1C[C@@H](CNc2cc(C)[nH+]cn2)CC1=O ZINC000420653812 412356371 /nfs/dbraw/zinc/35/63/71/412356371.db2.gz OZFAVCBQNUSLCN-LLVKDONJSA-N 1 2 248.330 1.455 20 0 BCADLO CCCNC(=O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433786651 412356426 /nfs/dbraw/zinc/35/64/26/412356426.db2.gz YLYGLWVDTVVIOO-UHFFFAOYSA-N 1 2 247.302 1.204 20 0 BCADLO COCC[C@@H](C)CNc1nc(C)[nH+]c(N)n1 ZINC000631299923 412373149 /nfs/dbraw/zinc/37/31/49/412373149.db2.gz UXDJDBUZJBXFJR-SSDOTTSWSA-N 1 2 225.296 0.269 20 0 BCADLO COCC[C@@H](C)CNc1nc(N)nc(C)[nH+]1 ZINC000631299923 412373151 /nfs/dbraw/zinc/37/31/51/412373151.db2.gz UXDJDBUZJBXFJR-SSDOTTSWSA-N 1 2 225.296 0.269 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)no1 ZINC000639440465 412373239 /nfs/dbraw/zinc/37/32/39/412373239.db2.gz WECSUMORGGTGCY-QMMMGPOBSA-N 1 2 247.258 0.926 20 0 BCADLO CCN(C)c1ccc(CNc2n[nH]c(C)n2)c[nH+]1 ZINC000453045197 412373255 /nfs/dbraw/zinc/37/32/55/412373255.db2.gz ALLKLQUMYKTUMA-UHFFFAOYSA-N 1 2 246.318 1.576 20 0 BCADLO COCC[C@H](C)CNc1nc[nH+]c(N)c1OC ZINC000572899931 412374595 /nfs/dbraw/zinc/37/45/95/412374595.db2.gz PNQWCBHYBBWSEX-QMMMGPOBSA-N 1 2 240.307 1.152 20 0 BCADLO COCC[C@H](C)CNc1[nH+]cnc(N)c1OC ZINC000572899931 412374597 /nfs/dbraw/zinc/37/45/97/412374597.db2.gz PNQWCBHYBBWSEX-QMMMGPOBSA-N 1 2 240.307 1.152 20 0 BCADLO COCC[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568243780 412375153 /nfs/dbraw/zinc/37/51/53/412375153.db2.gz OPTIUNLMYFUZGF-LBPRGKRZSA-N 1 2 239.319 1.293 20 0 BCADLO CCc1nc([C@H]2CCC[N@H+](CC(N)=O)C2)no1 ZINC000360155782 172006914 /nfs/dbraw/zinc/00/69/14/172006914.db2.gz ANULPJHVAWWUPG-QMMMGPOBSA-N 1 2 238.291 0.297 20 0 BCADLO CCc1nc([C@H]2CCC[N@@H+](CC(N)=O)C2)no1 ZINC000360155782 172006916 /nfs/dbraw/zinc/00/69/16/172006916.db2.gz ANULPJHVAWWUPG-QMMMGPOBSA-N 1 2 238.291 0.297 20 0 BCADLO CCc1nc([C@H](C)N[C@@H]2C[N@H+](C)C[C@H]2C)n[nH]1 ZINC000329135765 172007512 /nfs/dbraw/zinc/00/75/12/172007512.db2.gz CJZQYDGYVGVRQD-KXUCPTDWSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000329135765 172007513 /nfs/dbraw/zinc/00/75/13/172007513.db2.gz CJZQYDGYVGVRQD-KXUCPTDWSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@H]2C[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000329135761 172007622 /nfs/dbraw/zinc/00/76/22/172007622.db2.gz CJZQYDGYVGVRQD-GUBZILKMSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nc([C@H](C)N[C@H]2C[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000329135761 172007624 /nfs/dbraw/zinc/00/76/24/172007624.db2.gz CJZQYDGYVGVRQD-GUBZILKMSA-N 1 2 237.351 0.968 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)o1 ZINC000308748085 172050175 /nfs/dbraw/zinc/05/01/75/172050175.db2.gz LEDZUDMRPJNJEN-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)o1 ZINC000308748085 172050177 /nfs/dbraw/zinc/05/01/77/172050177.db2.gz LEDZUDMRPJNJEN-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000339609083 172095520 /nfs/dbraw/zinc/09/55/20/172095520.db2.gz VMLAWILUDBKZQQ-WDEREUQCSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000339609083 172095521 /nfs/dbraw/zinc/09/55/21/172095521.db2.gz VMLAWILUDBKZQQ-WDEREUQCSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000339609080 172096780 /nfs/dbraw/zinc/09/67/80/172096780.db2.gz VMLAWILUDBKZQQ-GHMZBOCLSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000339609080 172096783 /nfs/dbraw/zinc/09/67/83/172096783.db2.gz VMLAWILUDBKZQQ-GHMZBOCLSA-N 1 2 226.276 0.429 20 0 BCADLO CCn1cc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000032610820 172152693 /nfs/dbraw/zinc/15/26/93/172152693.db2.gz FITNZLCXTRTOSY-UHFFFAOYSA-N 1 2 222.292 0.291 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338997689 172163966 /nfs/dbraw/zinc/16/39/66/172163966.db2.gz KUYPYSWHQLEPGZ-LLVKDONJSA-N 1 2 227.283 0.809 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338997689 172163968 /nfs/dbraw/zinc/16/39/68/172163968.db2.gz KUYPYSWHQLEPGZ-LLVKDONJSA-N 1 2 227.283 0.809 20 0 BCADLO CCn1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336604439 172165699 /nfs/dbraw/zinc/16/56/99/172165699.db2.gz IOHLQSRYIFGGBK-GFCCVEGCSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336604439 172165702 /nfs/dbraw/zinc/16/57/02/172165702.db2.gz IOHLQSRYIFGGBK-GFCCVEGCSA-N 1 2 248.330 0.710 20 0 BCADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC000331094318 172197840 /nfs/dbraw/zinc/19/78/40/172197840.db2.gz ZBECFKJPAHPOQL-IUCAKERBSA-N 1 2 249.322 0.838 20 0 BCADLO CCn1ccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000291847857 172216963 /nfs/dbraw/zinc/21/69/63/172216963.db2.gz FTYDLWZVMCVEAO-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1ccnc1C[N@H+](C)C1(CO)CC1 ZINC000353009884 172217525 /nfs/dbraw/zinc/21/75/25/172217525.db2.gz RWKWDPOGDBGDQV-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO CCn1ccnc1C[N@@H+](C)C1(CO)CC1 ZINC000353009884 172217529 /nfs/dbraw/zinc/21/75/29/172217529.db2.gz RWKWDPOGDBGDQV-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@@H](C)C(=O)OC ZINC000361173246 172219693 /nfs/dbraw/zinc/21/96/93/172219693.db2.gz DHOXHZUQKSUSJB-VIFPVBQESA-N 1 2 225.292 0.896 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)NC2(CCC2)C1=O ZINC000334459300 172220936 /nfs/dbraw/zinc/22/09/36/172220936.db2.gz SFMPETUJOVBDDB-UHFFFAOYSA-N 1 2 248.286 0.878 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@H]1CCNC1=O ZINC000340221867 172221255 /nfs/dbraw/zinc/22/12/55/172221255.db2.gz RTKDZXFUEPTIPK-VIFPVBQESA-N 1 2 222.292 0.223 20 0 BCADLO CCn1nccc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000162041431 172266327 /nfs/dbraw/zinc/26/63/27/172266327.db2.gz MFURUSDINWMRFW-NSHDSACASA-N 1 2 236.319 0.743 20 0 BCADLO CCn1nccc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000162041431 172266329 /nfs/dbraw/zinc/26/63/29/172266329.db2.gz MFURUSDINWMRFW-NSHDSACASA-N 1 2 236.319 0.743 20 0 BCADLO CCn1nccc1C[N@H+](CC(N)=O)C(C)C ZINC000161678396 172266871 /nfs/dbraw/zinc/26/68/71/172266871.db2.gz MLMAJKSXHZZGHC-UHFFFAOYSA-N 1 2 224.308 0.599 20 0 BCADLO CCn1nccc1C[N@@H+](CC(N)=O)C(C)C ZINC000161678396 172266873 /nfs/dbraw/zinc/26/68/73/172266873.db2.gz MLMAJKSXHZZGHC-UHFFFAOYSA-N 1 2 224.308 0.599 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000339001131 172268502 /nfs/dbraw/zinc/26/85/02/172268502.db2.gz ZWFLJTLPLOGUCB-NSHDSACASA-N 1 2 227.283 0.809 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000339001131 172268503 /nfs/dbraw/zinc/26/85/03/172268503.db2.gz ZWFLJTLPLOGUCB-NSHDSACASA-N 1 2 227.283 0.809 20 0 BCADLO CCn1nccc1C[N@@H+]1CCn2cnnc2C1 ZINC000331884319 172268522 /nfs/dbraw/zinc/26/85/22/172268522.db2.gz VXPTXWACIYATME-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1nccc1C[N@H+]1CCn2cnnc2C1 ZINC000331884319 172268524 /nfs/dbraw/zinc/26/85/24/172268524.db2.gz VXPTXWACIYATME-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H]1COC ZINC000339294364 172278593 /nfs/dbraw/zinc/27/85/93/172278593.db2.gz VQOIXENYBKEDKJ-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H]1COC ZINC000339294364 172278595 /nfs/dbraw/zinc/27/85/95/172278595.db2.gz VQOIXENYBKEDKJ-SECBINFHSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@H](C)C(=O)OC ZINC000088619459 172278895 /nfs/dbraw/zinc/27/88/95/172278895.db2.gz CWVWKAQKXKDEFD-VIFPVBQESA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000088619459 172278898 /nfs/dbraw/zinc/27/88/98/172278898.db2.gz CWVWKAQKXKDEFD-VIFPVBQESA-N 1 2 240.307 0.539 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668515 172279656 /nfs/dbraw/zinc/27/96/56/172279656.db2.gz SLFWSCIWPFSPSB-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668515 172279659 /nfs/dbraw/zinc/27/96/59/172279659.db2.gz SLFWSCIWPFSPSB-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1cccc(OC)n1 ZINC000355586589 172281663 /nfs/dbraw/zinc/28/16/63/172281663.db2.gz TYUFTPKVJVMCOX-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1O ZINC000288454293 172293558 /nfs/dbraw/zinc/29/35/58/172293558.db2.gz NXHDDMFHCKLCJO-XIJCSBCJSA-N 1 2 235.287 0.795 20 0 BCADLO CN(C(=O)NCc1c[nH+]cn1C)C1CC(O)C1 ZINC000331634786 172321422 /nfs/dbraw/zinc/32/14/22/172321422.db2.gz SXSIEAREMGESLX-UHFFFAOYSA-N 1 2 238.291 0.085 20 0 BCADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cnn(C)c1 ZINC000334145304 172331842 /nfs/dbraw/zinc/33/18/42/172331842.db2.gz XSEBXCMGWSINJR-MRVPVSSYSA-N 1 2 244.245 0.380 20 0 BCADLO CN(C)C(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068510724 172369161 /nfs/dbraw/zinc/36/91/61/172369161.db2.gz FBQDIYMJMWTJPP-UHFFFAOYSA-N 1 2 246.270 0.152 20 0 BCADLO CN(C)C(=O)NCCNc1cccc[nH+]1 ZINC000098025223 172379777 /nfs/dbraw/zinc/37/97/77/172379777.db2.gz JAEALZDHRKVRMO-UHFFFAOYSA-N 1 2 208.265 0.765 20 0 BCADLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000336630162 172380967 /nfs/dbraw/zinc/38/09/67/172380967.db2.gz HWMBDVFZZXAHCE-QMMMGPOBSA-N 1 2 228.296 0.257 20 0 BCADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000336630162 172380968 /nfs/dbraw/zinc/38/09/68/172380968.db2.gz HWMBDVFZZXAHCE-QMMMGPOBSA-N 1 2 228.296 0.257 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000122774061 172384367 /nfs/dbraw/zinc/38/43/67/172384367.db2.gz JGTXVPJVZFSIKM-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000122774061 172384369 /nfs/dbraw/zinc/38/43/69/172384369.db2.gz JGTXVPJVZFSIKM-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccnn1C ZINC000155044607 172721348 /nfs/dbraw/zinc/72/13/48/172721348.db2.gz OVLOKUGSHJZPOU-UHFFFAOYSA-N 1 2 247.302 0.779 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000336468887 173071813 /nfs/dbraw/zinc/07/18/13/173071813.db2.gz CAMPMDDAQNBPTN-GFCCVEGCSA-N 1 2 240.347 0.702 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC000131485717 173072173 /nfs/dbraw/zinc/07/21/73/173072173.db2.gz VHCGFJBFCJJVIC-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000126821836 173073058 /nfs/dbraw/zinc/07/30/58/173073058.db2.gz HWDYREXWPVEIPU-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCC2CC2)C1 ZINC000360211748 173073688 /nfs/dbraw/zinc/07/36/88/173073688.db2.gz GFHDREABDLKCPW-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC2CC2)C1 ZINC000360211748 173073690 /nfs/dbraw/zinc/07/36/90/173073690.db2.gz GFHDREABDLKCPW-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2ccc(F)cn2)C1 ZINC000225345235 173075775 /nfs/dbraw/zinc/07/57/75/173075775.db2.gz ARCUGWWTIMZVNJ-NSHDSACASA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(F)cn2)C1 ZINC000225345235 173075777 /nfs/dbraw/zinc/07/57/77/173075777.db2.gz ARCUGWWTIMZVNJ-NSHDSACASA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000184658725 173084380 /nfs/dbraw/zinc/08/43/80/173084380.db2.gz ABYZFRVEMMICIU-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000184658725 173084384 /nfs/dbraw/zinc/08/43/84/173084384.db2.gz ABYZFRVEMMICIU-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCCCO2)CC1=O ZINC000119233574 173085959 /nfs/dbraw/zinc/08/59/59/173085959.db2.gz FCNIDMCLFFBQTJ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCCCO2)CC1=O ZINC000119233574 173085960 /nfs/dbraw/zinc/08/59/60/173085960.db2.gz FCNIDMCLFFBQTJ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000047670620 173093253 /nfs/dbraw/zinc/09/32/53/173093253.db2.gz RJDJDLAIMJVUNV-UHFFFAOYSA-N 1 2 241.316 0.018 20 0 BCADLO CN1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000182793680 173094238 /nfs/dbraw/zinc/09/42/38/173094238.db2.gz UHKKDMCQBVAWPW-JSGCOSHPSA-N 1 2 246.310 0.419 20 0 BCADLO CN1CC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000182793680 173094239 /nfs/dbraw/zinc/09/42/39/173094239.db2.gz UHKKDMCQBVAWPW-JSGCOSHPSA-N 1 2 246.310 0.419 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC1(C)C ZINC000334519833 173097928 /nfs/dbraw/zinc/09/79/28/173097928.db2.gz QVRGZAHSVXNZGP-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1CCCC1(C)C ZINC000334519833 173097930 /nfs/dbraw/zinc/09/79/30/173097930.db2.gz QVRGZAHSVXNZGP-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC000335073362 173103495 /nfs/dbraw/zinc/10/34/95/173103495.db2.gz LALUPGPDCFIPQF-WDEREUQCSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC000335073362 173103498 /nfs/dbraw/zinc/10/34/98/173103498.db2.gz LALUPGPDCFIPQF-WDEREUQCSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000124040082 173106266 /nfs/dbraw/zinc/10/62/66/173106266.db2.gz BCHFNYLGFAZEFT-WDEREUQCSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000124040082 173106269 /nfs/dbraw/zinc/10/62/69/173106269.db2.gz BCHFNYLGFAZEFT-WDEREUQCSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccnc2)C1 ZINC000163780583 173106698 /nfs/dbraw/zinc/10/66/98/173106698.db2.gz YJUFZOGXDOOEEJ-JTQLQIEISA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2cccnc2)C1 ZINC000163780583 173106701 /nfs/dbraw/zinc/10/67/01/173106701.db2.gz YJUFZOGXDOOEEJ-JTQLQIEISA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cccnc2)C1 ZINC000264892908 173106797 /nfs/dbraw/zinc/10/67/97/173106797.db2.gz VSVULMHKKPNBAW-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2cccnc2)C1 ZINC000264892908 173106798 /nfs/dbraw/zinc/10/67/98/173106798.db2.gz VSVULMHKKPNBAW-GFCCVEGCSA-N 1 2 249.314 0.071 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328639188 173119531 /nfs/dbraw/zinc/11/95/31/173119531.db2.gz DPTWBWDDXQWWCL-RKDXNWHRSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328639188 173119529 /nfs/dbraw/zinc/11/95/29/173119529.db2.gz DPTWBWDDXQWWCL-RKDXNWHRSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000116272913 173120160 /nfs/dbraw/zinc/12/01/60/173120160.db2.gz UDFGSSGDXLZFIC-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000116272913 173120163 /nfs/dbraw/zinc/12/01/63/173120163.db2.gz UDFGSSGDXLZFIC-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cncs2)C1=O ZINC000271162897 173120762 /nfs/dbraw/zinc/12/07/62/173120762.db2.gz BMJMVWDGGOWQSO-SECBINFHSA-N 1 2 225.317 0.806 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cncs2)C1=O ZINC000271162897 173120765 /nfs/dbraw/zinc/12/07/65/173120765.db2.gz BMJMVWDGGOWQSO-SECBINFHSA-N 1 2 225.317 0.806 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CCN(C)C1=O ZINC000336690615 173120935 /nfs/dbraw/zinc/12/09/35/173120935.db2.gz BEWYNUSZUIRJMH-SECBINFHSA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336647428 173151039 /nfs/dbraw/zinc/15/10/39/173151039.db2.gz MNEWPJXQUPAUNF-AEJSXWLSSA-N 1 2 210.277 0.080 20 0 BCADLO CN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000336647428 173151036 /nfs/dbraw/zinc/15/10/36/173151036.db2.gz MNEWPJXQUPAUNF-AEJSXWLSSA-N 1 2 210.277 0.080 20 0 BCADLO C[N@@H+]1CCc2ncnc(Nc3cn[nH]c3)c2C1 ZINC000299614022 173173217 /nfs/dbraw/zinc/17/32/17/173173217.db2.gz OVHDNHZKFZZFEF-UHFFFAOYSA-N 1 2 230.275 0.931 20 0 BCADLO C[N@H+]1CCc2ncnc(Nc3cn[nH]c3)c2C1 ZINC000299614022 173173220 /nfs/dbraw/zinc/17/32/20/173173220.db2.gz OVHDNHZKFZZFEF-UHFFFAOYSA-N 1 2 230.275 0.931 20 0 BCADLO CN1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000264893498 173187816 /nfs/dbraw/zinc/18/78/16/173187816.db2.gz UFQXJNJDVJQUOM-VIFPVBQESA-N 1 2 232.287 0.997 20 0 BCADLO CN1C[C@@H]2C[N@H+](Cc3ccco3)CCN2C1=O ZINC000369692547 173188994 /nfs/dbraw/zinc/18/89/94/173188994.db2.gz JOLZCUPIQKIJAO-SNVBAGLBSA-N 1 2 235.287 0.831 20 0 BCADLO CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCN2C1=O ZINC000369692547 173188997 /nfs/dbraw/zinc/18/89/97/173188997.db2.gz JOLZCUPIQKIJAO-SNVBAGLBSA-N 1 2 235.287 0.831 20 0 BCADLO C[N@H+]1Cc2ccccc2[C@@H](NS(C)(=O)=O)C1 ZINC000366760704 173201675 /nfs/dbraw/zinc/20/16/75/173201675.db2.gz PPRQVVYOPJFUAI-NSHDSACASA-N 1 2 240.328 0.722 20 0 BCADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(C)(=O)=O)C1 ZINC000366760704 173201678 /nfs/dbraw/zinc/20/16/78/173201678.db2.gz PPRQVVYOPJFUAI-NSHDSACASA-N 1 2 240.328 0.722 20 0 BCADLO CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359060556 173219018 /nfs/dbraw/zinc/21/90/18/173219018.db2.gz NNQVVBLNDQMPJA-UHFFFAOYSA-N 1 2 232.243 0.327 20 0 BCADLO CNC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000264375463 173222268 /nfs/dbraw/zinc/22/22/68/173222268.db2.gz DHTUWZYWGVXLRD-UHFFFAOYSA-N 1 2 233.271 0.855 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000284832649 173227522 /nfs/dbraw/zinc/22/75/22/173227522.db2.gz BLGRLDVTMSXNQK-UHFFFAOYSA-N 1 2 223.251 0.399 20 0 BCADLO CNC(=O)CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330449237 173231336 /nfs/dbraw/zinc/23/13/36/173231336.db2.gz ZMLVDBWETYULGC-SNVBAGLBSA-N 1 2 238.291 0.359 20 0 BCADLO CNC(=O)CC(=O)Nc1c[nH+]ccc1OC ZINC000355982304 173233157 /nfs/dbraw/zinc/23/31/57/173233157.db2.gz FTVHYLLVJBBKPN-UHFFFAOYSA-N 1 2 223.232 0.165 20 0 BCADLO CNC(=O)CCCNc1cc[nH+]c(C)n1 ZINC000266464606 173243932 /nfs/dbraw/zinc/24/39/32/173243932.db2.gz ZINPBTYWCUMGKN-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000170793107 173249603 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FRGXEMQJDRFQDG-SECBINFHSA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000270691233 173269352 /nfs/dbraw/zinc/26/93/52/173269352.db2.gz FRGXEMQJDRFQDG-SECBINFHSA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000131354317 173269548 /nfs/dbraw/zinc/26/95/48/173269548.db2.gz OINZFGQNNAVVCV-UHFFFAOYSA-N 1 2 229.711 0.856 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000131354317 173269550 /nfs/dbraw/zinc/26/95/50/173269550.db2.gz OINZFGQNNAVVCV-UHFFFAOYSA-N 1 2 229.711 0.856 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000272830488 173269971 /nfs/dbraw/zinc/26/99/71/173269971.db2.gz MTJHUVHLDGLCPD-SNVBAGLBSA-N 1 2 249.314 0.691 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000272830488 173269974 /nfs/dbraw/zinc/26/99/74/173269974.db2.gz MTJHUVHLDGLCPD-SNVBAGLBSA-N 1 2 249.314 0.691 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1cnccn1 ZINC000330956637 173270006 /nfs/dbraw/zinc/27/00/06/173270006.db2.gz 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COCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711737 174323969 /nfs/dbraw/zinc/32/39/69/174323969.db2.gz QOWYAGIIZXUSMC-UHFFFAOYSA-N 1 2 248.286 0.780 20 0 BCADLO COCCOC(=O)CSCc1[nH+]ccn1C ZINC000278423535 174344006 /nfs/dbraw/zinc/34/40/06/174344006.db2.gz XZTVTDNNBGMTGI-UHFFFAOYSA-N 1 2 244.316 0.843 20 0 BCADLO COCCOC1C[NH+](Cc2cccnc2)C1 ZINC000358785596 174344150 /nfs/dbraw/zinc/34/41/50/174344150.db2.gz LXZLSAVIJFLFOQ-UHFFFAOYSA-N 1 2 222.288 0.929 20 0 BCADLO COCCOCC[NH2+]C(C)(C)C(=O)OC ZINC000336683240 174357103 /nfs/dbraw/zinc/35/71/03/174357103.db2.gz JRLGKEMYCSULOG-UHFFFAOYSA-N 1 2 219.281 0.191 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000361850128 174366314 /nfs/dbraw/zinc/36/63/14/174366314.db2.gz PBOZRKCWNMBGRW-NSHDSACASA-N 1 2 237.303 0.714 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000361850128 174366316 /nfs/dbraw/zinc/36/63/16/174366316.db2.gz PBOZRKCWNMBGRW-NSHDSACASA-N 1 2 237.303 0.714 20 0 BCADLO COCC[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000281736387 174390126 /nfs/dbraw/zinc/39/01/26/174390126.db2.gz DBHLPDLHGDBDLG-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO COCC[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000281736387 174390128 /nfs/dbraw/zinc/39/01/28/174390128.db2.gz DBHLPDLHGDBDLG-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO COCC[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000291220432 174398245 /nfs/dbraw/zinc/39/82/45/174398245.db2.gz LMDHUJNXWBFEFX-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000365848539 174398660 /nfs/dbraw/zinc/39/86/60/174398660.db2.gz RBZQPTQHCAPHQR-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000365848539 174398663 /nfs/dbraw/zinc/39/86/63/174398663.db2.gz RBZQPTQHCAPHQR-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000330364049 174496349 /nfs/dbraw/zinc/49/63/49/174496349.db2.gz CMXCMTCXZMZYIP-QMMMGPOBSA-N 1 2 229.280 0.210 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCCOCC1)C(=O)OC ZINC000336771542 174585162 /nfs/dbraw/zinc/58/51/62/174585162.db2.gz UPKJFGBRRAMHKX-ZJUUUORDSA-N 1 2 231.292 0.333 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000300389686 174905723 /nfs/dbraw/zinc/90/57/23/174905723.db2.gz QGTVTRXNBOPDLT-YUMQZZPRSA-N 1 2 225.296 0.113 20 0 BCADLO C[C@@H](Nc1nccn(C)c1=O)c1[nH+]ccn1C ZINC000680672147 487629402 /nfs/dbraw/zinc/62/94/02/487629402.db2.gz UGBOYSNTUVMTLM-MRVPVSSYSA-N 1 2 233.275 0.687 20 0 BCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)nc1 ZINC000359888062 175057470 /nfs/dbraw/zinc/05/74/70/175057470.db2.gz DOPCDXXSWNXPJA-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO COc1ccc(C(=O)Nc2cc[nH+]cc2O)nc1 ZINC000360175343 175058016 /nfs/dbraw/zinc/05/80/16/175058016.db2.gz JSLHHPUPLFFGMC-UHFFFAOYSA-N 1 2 245.238 0.865 20 0 BCADLO COc1ccc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000358341038 175058023 /nfs/dbraw/zinc/05/80/23/175058023.db2.gz QZOMTRWTAATXAH-UHFFFAOYSA-N 1 2 246.226 0.260 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)CC2)nc1 ZINC000271885539 175100439 /nfs/dbraw/zinc/10/04/39/175100439.db2.gz CZNJSGIIXHTKCQ-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)CC2)nc1 ZINC000271885539 175100440 /nfs/dbraw/zinc/10/04/40/175100440.db2.gz CZNJSGIIXHTKCQ-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)cc1 ZINC000271652331 175176818 /nfs/dbraw/zinc/17/68/18/175176818.db2.gz JLBYIUFXPIQKSK-MRVPVSSYSA-N 1 2 248.286 0.957 20 0 BCADLO COc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)n1 ZINC000338593790 175259375 /nfs/dbraw/zinc/25/93/75/175259375.db2.gz MTTVFWUHVWIRHK-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cccc(C[N@H+]2CC[C@@](F)(CO)C2)n1 ZINC000338593790 175259376 /nfs/dbraw/zinc/25/93/76/175259376.db2.gz MTTVFWUHVWIRHK-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cccc2c1CC[N@H+](CC(N)=O)C2 ZINC000074448396 175300844 /nfs/dbraw/zinc/30/08/44/175300844.db2.gz JUFJZYXAYLYISH-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO COc1cccc2c1CC[N@@H+](CC(N)=O)C2 ZINC000074448396 175300846 /nfs/dbraw/zinc/30/08/46/175300846.db2.gz JUFJZYXAYLYISH-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO COc1cc[nH+]c(CN2CCCNC(=O)[C@@H]2C)c1 ZINC000332222318 175358556 /nfs/dbraw/zinc/35/85/56/175358556.db2.gz KUDZRJYNKPIBQQ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000332222318 175358557 /nfs/dbraw/zinc/35/85/57/175358557.db2.gz KUDZRJYNKPIBQQ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000332222318 175358558 /nfs/dbraw/zinc/35/85/58/175358558.db2.gz KUDZRJYNKPIBQQ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000076098308 175375183 /nfs/dbraw/zinc/37/51/83/175375183.db2.gz XAESXZQGFOGCIP-HTQZYQBOSA-N 1 2 249.270 0.553 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CCCC(N)=O ZINC000278768035 175375819 /nfs/dbraw/zinc/37/58/19/175375819.db2.gz UHLJRRXPOMNNOA-UHFFFAOYSA-N 1 2 237.259 0.684 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CCn1ccnn1 ZINC000299465062 175375868 /nfs/dbraw/zinc/37/58/68/175375868.db2.gz DVYWTQMPFDWPLO-UHFFFAOYSA-N 1 2 247.258 0.711 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000364469417 175376097 /nfs/dbraw/zinc/37/60/97/175376097.db2.gz UFSAKCIWAZCVLM-LBPRGKRZSA-N 1 2 249.270 0.555 20 0 BCADLO COc1cnc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000340192039 175381215 /nfs/dbraw/zinc/38/12/15/175381215.db2.gz LXWRAEDCMZMYCY-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1cncc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000358765041 175383355 /nfs/dbraw/zinc/38/33/55/175383355.db2.gz PKPYQSMIHMWKHG-UHFFFAOYSA-N 1 2 244.254 0.863 20 0 BCADLO COc1cncc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000290354773 175384242 /nfs/dbraw/zinc/38/42/42/175384242.db2.gz QIVARHAVCDHSDG-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cncc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000290354773 175384243 /nfs/dbraw/zinc/38/42/43/175384243.db2.gz QIVARHAVCDHSDG-GFCCVEGCSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000332223068 175385359 /nfs/dbraw/zinc/38/53/59/175385359.db2.gz KZHNCCVZUULLEZ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cncc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000332223068 175385362 /nfs/dbraw/zinc/38/53/62/175385362.db2.gz KZHNCCVZUULLEZ-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000282307228 175435670 /nfs/dbraw/zinc/43/56/70/175435670.db2.gz SXEVYHOHRFBFMX-KHVHVRLGSA-N 1 2 223.725 0.858 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000282307228 175435671 /nfs/dbraw/zinc/43/56/71/175435671.db2.gz SXEVYHOHRFBFMX-KHVHVRLGSA-N 1 2 223.725 0.858 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336442436 175690958 /nfs/dbraw/zinc/69/09/58/175690958.db2.gz IBWBQQZWAGVHHL-DTWKUNHWSA-N 1 2 240.282 0.855 20 0 BCADLO C[C@H]([C@H](C)[N@H+](C)Cc1ccno1)S(C)(=O)=O ZINC000265001061 176010966 /nfs/dbraw/zinc/01/09/66/176010966.db2.gz VIERKSSRVOXSRN-DTWKUNHWSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccno1)S(C)(=O)=O ZINC000265001061 176010967 /nfs/dbraw/zinc/01/09/67/176010967.db2.gz VIERKSSRVOXSRN-DTWKUNHWSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccno1 ZINC000265001060 176011278 /nfs/dbraw/zinc/01/12/78/176011278.db2.gz VIERKSSRVOXSRN-BDAKNGLRSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccno1 ZINC000265001060 176011279 /nfs/dbraw/zinc/01/12/79/176011279.db2.gz VIERKSSRVOXSRN-BDAKNGLRSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000107676674 176030388 /nfs/dbraw/zinc/03/03/88/176030388.db2.gz XSDSMZQQGLUWKN-NSHDSACASA-N 1 2 248.330 0.246 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380121 176037654 /nfs/dbraw/zinc/03/76/54/176037654.db2.gz RBBOQUFRMPFGJQ-GARJFASQSA-N 1 2 235.287 0.637 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380121 176037656 /nfs/dbraw/zinc/03/76/56/176037656.db2.gz RBBOQUFRMPFGJQ-GARJFASQSA-N 1 2 235.287 0.637 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC1(O)CCC1 ZINC000332053427 176041178 /nfs/dbraw/zinc/04/11/78/176041178.db2.gz VANJGLBCQFMECX-QMMMGPOBSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC1(O)CCC1 ZINC000332053427 176041180 /nfs/dbraw/zinc/04/11/80/176041180.db2.gz VANJGLBCQFMECX-QMMMGPOBSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccncc1 ZINC000104692819 176046115 /nfs/dbraw/zinc/04/61/15/176046115.db2.gz JLFYEVCVKFNSIG-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccncc1 ZINC000104692819 176046118 /nfs/dbraw/zinc/04/61/18/176046118.db2.gz JLFYEVCVKFNSIG-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C ZINC000336642662 176046591 /nfs/dbraw/zinc/04/65/91/176046591.db2.gz AOUUCKAZVSKOSF-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C ZINC000336642662 176046590 /nfs/dbraw/zinc/04/65/90/176046590.db2.gz AOUUCKAZVSKOSF-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000248747024 176046694 /nfs/dbraw/zinc/04/66/94/176046694.db2.gz GCJFMBCRTLUOEM-MNOVXSKESA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248747024 176046695 /nfs/dbraw/zinc/04/66/95/176046695.db2.gz GCJFMBCRTLUOEM-MNOVXSKESA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCCO1 ZINC000104692682 176046783 /nfs/dbraw/zinc/04/67/83/176046783.db2.gz NUGRMRJRNPABAR-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000104692682 176046784 /nfs/dbraw/zinc/04/67/84/176046784.db2.gz NUGRMRJRNPABAR-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1CC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000052733792 176049212 /nfs/dbraw/zinc/04/92/12/176049212.db2.gz ALIORQWHAKMCKU-SSDOTTSWSA-N 1 2 219.244 0.559 20 0 BCADLO C[C@@H]1CCCCC[N@@H+]1Cc1nnn(C)n1 ZINC000336692850 176063339 /nfs/dbraw/zinc/06/33/39/176063339.db2.gz AKDVYIDXTLCWFJ-SECBINFHSA-N 1 2 209.297 0.975 20 0 BCADLO C[C@@H]1CCCCC[N@H+]1Cc1nnn(C)n1 ZINC000336692850 176063341 /nfs/dbraw/zinc/06/33/41/176063341.db2.gz AKDVYIDXTLCWFJ-SECBINFHSA-N 1 2 209.297 0.975 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000336441965 176160002 /nfs/dbraw/zinc/16/00/02/176160002.db2.gz PAUFDCRBFUSFAR-GHMZBOCLSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1CC[N@H+](CCn2cccn2)CC[S@]1=O ZINC000277063718 176171975 /nfs/dbraw/zinc/17/19/75/176171975.db2.gz DIKXQQSZCHFNEJ-BDJLRTHQSA-N 1 2 241.360 0.726 20 0 BCADLO C[C@@H]1CC[N@@H+](CCn2cccn2)CC[S@]1=O ZINC000277063718 176171976 /nfs/dbraw/zinc/17/19/76/176171976.db2.gz DIKXQQSZCHFNEJ-BDJLRTHQSA-N 1 2 241.360 0.726 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321409 176204215 /nfs/dbraw/zinc/20/42/15/176204215.db2.gz SZFPOPGRNZQZSK-PWSUYJOCSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000336321409 176204217 /nfs/dbraw/zinc/20/42/17/176204217.db2.gz SZFPOPGRNZQZSK-PWSUYJOCSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000359068598 176246563 /nfs/dbraw/zinc/24/65/63/176246563.db2.gz XMVGCAHSVMZFJK-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000359068598 176246564 /nfs/dbraw/zinc/24/65/64/176246564.db2.gz XMVGCAHSVMZFJK-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000357853161 176246688 /nfs/dbraw/zinc/24/66/88/176246688.db2.gz OMHRDHHBQWEYJG-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327191 176277361 /nfs/dbraw/zinc/27/73/61/176277361.db2.gz QLBBUWVTQPSTRR-PSASIEDQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000333327191 176277362 /nfs/dbraw/zinc/27/73/62/176277362.db2.gz QLBBUWVTQPSTRR-PSASIEDQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000333327191 176277364 /nfs/dbraw/zinc/27/73/64/176277364.db2.gz QLBBUWVTQPSTRR-PSASIEDQSA-N 1 2 235.335 0.722 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOCC23CC3)CCO1 ZINC000338593493 176291301 /nfs/dbraw/zinc/29/13/01/176291301.db2.gz RROQGQWCBDIQFH-GFCCVEGCSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOCC23CC3)CCO1 ZINC000338593493 176291302 /nfs/dbraw/zinc/29/13/02/176291302.db2.gz RROQGQWCBDIQFH-GFCCVEGCSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC(F)F)CC(=O)N1C ZINC000337475661 176292625 /nfs/dbraw/zinc/29/26/25/176292625.db2.gz YHOPZKIMVFHJAG-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC(F)F)CC(=O)N1C ZINC000337475661 176292626 /nfs/dbraw/zinc/29/26/26/176292626.db2.gz YHOPZKIMVFHJAG-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582519 176297229 /nfs/dbraw/zinc/29/72/29/176297229.db2.gz FXJSRXRNPWULRH-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000339582519 176297230 /nfs/dbraw/zinc/29/72/30/176297230.db2.gz FXJSRXRNPWULRH-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296360466 176299217 /nfs/dbraw/zinc/29/92/17/176299217.db2.gz WSYLQLCRMFIVPF-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296360466 176299219 /nfs/dbraw/zinc/29/92/19/176299219.db2.gz WSYLQLCRMFIVPF-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC(=O)N1 ZINC000295147036 176302915 /nfs/dbraw/zinc/30/29/15/176302915.db2.gz AMUNHQTXCOGNLV-SNVBAGLBSA-N 1 2 234.299 0.499 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC(=O)N1 ZINC000295147036 176302916 /nfs/dbraw/zinc/30/29/16/176302916.db2.gz AMUNHQTXCOGNLV-SNVBAGLBSA-N 1 2 234.299 0.499 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)CC(=O)N1 ZINC000294732164 176307659 /nfs/dbraw/zinc/30/76/59/176307659.db2.gz DJHCBTPJDSRZKC-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CC(=O)N1 ZINC000294732164 176307661 /nfs/dbraw/zinc/30/76/61/176307661.db2.gz DJHCBTPJDSRZKC-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC[S@@]1=O ZINC000353829856 176310274 /nfs/dbraw/zinc/31/02/74/176310274.db2.gz SYCWQOYUPQHRFW-PSLIRLAXSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc3cnccn23)CCO1 ZINC000271034457 176310359 /nfs/dbraw/zinc/31/03/59/176310359.db2.gz ISDSJFIWSBOAQY-SNVBAGLBSA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CCO1 ZINC000271034457 176310360 /nfs/dbraw/zinc/31/03/60/176310360.db2.gz ISDSJFIWSBOAQY-SNVBAGLBSA-N 1 2 232.287 0.950 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[S@@](=O)C1 ZINC000361327654 176310870 /nfs/dbraw/zinc/31/08/70/176310870.db2.gz ZPGDJZAIFMSDKK-RFAUZJTJSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[S@@](=O)C1 ZINC000361327654 176310871 /nfs/dbraw/zinc/31/08/71/176310871.db2.gz ZPGDJZAIFMSDKK-RFAUZJTJSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2)CC[S@]1=O ZINC000307751617 176315152 /nfs/dbraw/zinc/31/51/52/176315152.db2.gz OQXWGXNPRPOPDO-JRKPZEMJSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2)CC[S@]1=O ZINC000307751617 176315154 /nfs/dbraw/zinc/31/51/54/176315154.db2.gz OQXWGXNPRPOPDO-JRKPZEMJSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058567 176315293 /nfs/dbraw/zinc/31/52/93/176315293.db2.gz ZQPFRQXBSMIQEN-MWLCHTKSSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCC1=O ZINC000335058567 176315295 /nfs/dbraw/zinc/31/52/95/176315295.db2.gz ZQPFRQXBSMIQEN-MWLCHTKSSA-N 1 2 236.315 0.661 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCN(C3CC3)C2=O)C[C@@H](C)O1 ZINC000336718667 176317790 /nfs/dbraw/zinc/31/77/90/176317790.db2.gz WYXAIAWZPWNGEM-FOGDFJRCSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296113424 176317807 /nfs/dbraw/zinc/31/78/07/176317807.db2.gz HDCXPRZXICHEHJ-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296113424 176317810 /nfs/dbraw/zinc/31/78/10/176317810.db2.gz HDCXPRZXICHEHJ-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2)CC[S@@]1=O ZINC000307751618 176317915 /nfs/dbraw/zinc/31/79/15/176317915.db2.gz OQXWGXNPRPOPDO-ZDMBXUJBSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2)CC[S@@]1=O ZINC000307751618 176317916 /nfs/dbraw/zinc/31/79/16/176317916.db2.gz OQXWGXNPRPOPDO-ZDMBXUJBSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCO1 ZINC000358689024 176335498 /nfs/dbraw/zinc/33/54/98/176335498.db2.gz OLWBFKMUACFDIB-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCO1 ZINC000358689024 176335499 /nfs/dbraw/zinc/33/54/99/176335499.db2.gz OLWBFKMUACFDIB-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC=CC1 ZINC000354003129 176336055 /nfs/dbraw/zinc/33/60/55/176336055.db2.gz RJFUGCITSKLDJN-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC=CC1 ZINC000354003129 176336056 /nfs/dbraw/zinc/33/60/56/176336056.db2.gz RJFUGCITSKLDJN-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000355056695 176336197 /nfs/dbraw/zinc/33/61/97/176336197.db2.gz BYPLZHZXGZOQJJ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1CCC1 ZINC000355056695 176336199 /nfs/dbraw/zinc/33/61/99/176336199.db2.gz BYPLZHZXGZOQJJ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCSc1n[nH]c(=O)[nH]1 ZINC000331325736 176336468 /nfs/dbraw/zinc/33/64/68/176336468.db2.gz OFWMIEMTPBPJIW-SSDOTTSWSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCSc1n[nH]c(=O)[nH]1 ZINC000331325736 176336471 /nfs/dbraw/zinc/33/64/71/176336471.db2.gz OFWMIEMTPBPJIW-SSDOTTSWSA-N 1 2 244.320 0.323 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360474623 176343411 /nfs/dbraw/zinc/34/34/11/176343411.db2.gz QKMTTWQNAMYNPB-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000353902770 176348455 /nfs/dbraw/zinc/34/84/55/176348455.db2.gz UZQSLBWSATXAFU-MRVPVSSYSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000353902770 176348457 /nfs/dbraw/zinc/34/84/57/176348457.db2.gz UZQSLBWSATXAFU-MRVPVSSYSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000336706358 176351557 /nfs/dbraw/zinc/35/15/57/176351557.db2.gz RIOTWOQDCYZNSN-MRVPVSSYSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nnnn1C1CC1 ZINC000336706358 176351559 /nfs/dbraw/zinc/35/15/59/176351559.db2.gz RIOTWOQDCYZNSN-MRVPVSSYSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000337218367 176365896 /nfs/dbraw/zinc/36/58/96/176365896.db2.gz JBPYAMZQHQJBAM-GMTAPVOTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000367900215 176385752 /nfs/dbraw/zinc/38/57/52/176385752.db2.gz VMKNQPMJINBULT-SCZZXKLOSA-N 1 2 205.261 0.881 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000264114614 176393584 /nfs/dbraw/zinc/39/35/84/176393584.db2.gz GSLOVEQPQMREQA-RKDXNWHRSA-N 1 2 222.292 0.875 20 0 BCADLO C[C@@]1(O)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000177382960 176543449 /nfs/dbraw/zinc/54/34/49/176543449.db2.gz QAQFHLXKXRASMK-CYBMUJFWSA-N 1 2 245.282 0.931 20 0 BCADLO C[C@H](c1ccco1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330746810 177047291 /nfs/dbraw/zinc/04/72/91/177047291.db2.gz WQFMUXAHFSZHBE-MRVPVSSYSA-N 1 2 236.275 0.894 20 0 BCADLO C[C@H](c1ccco1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330746810 177047292 /nfs/dbraw/zinc/04/72/92/177047292.db2.gz WQFMUXAHFSZHBE-MRVPVSSYSA-N 1 2 236.275 0.894 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338589172 177052682 /nfs/dbraw/zinc/05/26/82/177052682.db2.gz QHODYFOBGRDQBW-MWLCHTKSSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338589172 177052683 /nfs/dbraw/zinc/05/26/83/177052683.db2.gz QHODYFOBGRDQBW-MWLCHTKSSA-N 1 2 225.267 0.944 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCn1cccn1 ZINC000189265749 177055259 /nfs/dbraw/zinc/05/52/59/177055259.db2.gz ZUOBRCFMVJKQBN-SECBINFHSA-N 1 2 235.295 0.100 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCn1cccn1 ZINC000189265749 177055261 /nfs/dbraw/zinc/05/52/61/177055261.db2.gz ZUOBRCFMVJKQBN-SECBINFHSA-N 1 2 235.295 0.100 20 0 BCADLO C[C@H]1C(=O)N(CCn2cc[nH+]c2)C(=O)N1C1CC1 ZINC000277185634 177057416 /nfs/dbraw/zinc/05/74/16/177057416.db2.gz CLALZJUGQBPMIY-VIFPVBQESA-N 1 2 248.286 0.698 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C ZINC000336642663 177059244 /nfs/dbraw/zinc/05/92/44/177059244.db2.gz AOUUCKAZVSKOSF-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C ZINC000336642663 177059246 /nfs/dbraw/zinc/05/92/46/177059246.db2.gz AOUUCKAZVSKOSF-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1C(=O)NCCN1Cc1cccc2[nH+]ccn21 ZINC000179920732 177060081 /nfs/dbraw/zinc/06/00/81/177060081.db2.gz RECJLWDJRLFOFY-JTQLQIEISA-N 1 2 244.298 0.655 20 0 BCADLO C[C@H]1C(=O)NCCN1c1[nH]c2ccccc2[nH+]1 ZINC000271625837 177060486 /nfs/dbraw/zinc/06/04/86/177060486.db2.gz MWQJNYLELANFCQ-QMMMGPOBSA-N 1 2 230.271 0.888 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000371448079 177063193 /nfs/dbraw/zinc/06/31/93/177063193.db2.gz QDLBVEAKJZXEKY-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccnn1C ZINC000371448079 177063194 /nfs/dbraw/zinc/06/31/94/177063194.db2.gz QDLBVEAKJZXEKY-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCCN1Cc1[nH+]ccn1C ZINC000375832483 177063196 /nfs/dbraw/zinc/06/31/96/177063196.db2.gz XNRSTQNRGIYINX-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1nccn1C ZINC000375832483 177063197 /nfs/dbraw/zinc/06/31/97/177063197.db2.gz XNRSTQNRGIYINX-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1nccn1C ZINC000375832483 177063198 /nfs/dbraw/zinc/06/31/98/177063198.db2.gz XNRSTQNRGIYINX-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1CC(NC(=O)CCn2cc[nH+]c2)=NO1 ZINC000270831967 177064714 /nfs/dbraw/zinc/06/47/14/177064714.db2.gz KBGKEPRGEZKHDE-QMMMGPOBSA-N 1 2 222.248 0.512 20 0 BCADLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860148 177134692 /nfs/dbraw/zinc/13/46/92/177134692.db2.gz MEEVLZRTNSGBRH-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860148 177134693 /nfs/dbraw/zinc/13/46/93/177134693.db2.gz MEEVLZRTNSGBRH-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000263681165 177149784 /nfs/dbraw/zinc/14/97/84/177149784.db2.gz IZXQVTNCQARTSI-JTQLQIEISA-N 1 2 222.292 0.935 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)C[C@H]1O ZINC000306303528 177167733 /nfs/dbraw/zinc/16/77/33/177167733.db2.gz FXZNWSSYBFBLAI-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)C[C@H]1O ZINC000306303528 177167736 /nfs/dbraw/zinc/16/77/36/177167736.db2.gz FXZNWSSYBFBLAI-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnn(C)n1 ZINC000194439460 177185093 /nfs/dbraw/zinc/18/50/93/177185093.db2.gz PMUIBJKKNMUXHY-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnn(C)n1 ZINC000194439460 177185094 /nfs/dbraw/zinc/18/50/94/177185094.db2.gz PMUIBJKKNMUXHY-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CN1C ZINC000336377521 177242101 /nfs/dbraw/zinc/24/21/01/177242101.db2.gz NYNSBMTUUJRJHW-UWVGGRQHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CN1C ZINC000336377521 177242102 /nfs/dbraw/zinc/24/21/02/177242102.db2.gz NYNSBMTUUJRJHW-UWVGGRQHSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@H]1C[N@H+](CC2=CCCOC2)CC(=O)N1C ZINC000282422229 177245631 /nfs/dbraw/zinc/24/56/31/177245631.db2.gz DTJAXRUNTOTGGB-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO C[C@H]1C[N@@H+](CC2=CCCOC2)CC(=O)N1C ZINC000282422229 177245632 /nfs/dbraw/zinc/24/56/32/177245632.db2.gz DTJAXRUNTOTGGB-JTQLQIEISA-N 1 2 224.304 0.496 20 0 BCADLO C[C@H]1C[N@H+](CCc2cccnc2)CC(=O)N1 ZINC000296222029 177254655 /nfs/dbraw/zinc/25/46/55/177254655.db2.gz NXWRRIYJBOOBLQ-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cccnc2)CC(=O)N1 ZINC000296222029 177254657 /nfs/dbraw/zinc/25/46/57/177254657.db2.gz NXWRRIYJBOOBLQ-JTQLQIEISA-N 1 2 219.288 0.444 20 0 BCADLO C[C@H]1C[N@H+](CCc2ccnn2C)CC(=O)N1C ZINC000282997398 177256731 /nfs/dbraw/zinc/25/67/31/177256731.db2.gz GJVWWRPDBJXMIJ-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C[N@@H+](CCc2ccnn2C)CC(=O)N1C ZINC000282997398 177256732 /nfs/dbraw/zinc/25/67/32/177256732.db2.gz GJVWWRPDBJXMIJ-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCCCO2)CC(=O)N1 ZINC000336236506 177258107 /nfs/dbraw/zinc/25/81/07/177258107.db2.gz TWOBWTFJQDLJKG-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CC(=O)N1 ZINC000336236506 177258108 /nfs/dbraw/zinc/25/81/08/177258108.db2.gz TWOBWTFJQDLJKG-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236696 177259087 /nfs/dbraw/zinc/25/90/87/177259087.db2.gz SUYPAWQCWQYNCG-VHSXEESVSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CC(=O)N1 ZINC000336236696 177259089 /nfs/dbraw/zinc/25/90/89/177259089.db2.gz SUYPAWQCWQYNCG-VHSXEESVSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CCCCO2)CC(=O)N1 ZINC000336236507 177259574 /nfs/dbraw/zinc/25/95/74/177259574.db2.gz TWOBWTFJQDLJKG-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CC(=O)N1 ZINC000336236507 177259575 /nfs/dbraw/zinc/25/95/75/177259575.db2.gz TWOBWTFJQDLJKG-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)S1(=O)=O ZINC000289508036 177260359 /nfs/dbraw/zinc/26/03/59/177260359.db2.gz LNPRCBVQKCSHAK-DTORHVGOSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)S1(=O)=O ZINC000289508036 177260361 /nfs/dbraw/zinc/26/03/61/177260361.db2.gz LNPRCBVQKCSHAK-DTORHVGOSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000339577015 177260943 /nfs/dbraw/zinc/26/09/43/177260943.db2.gz WNJLLWRPZYIENI-DTWKUNHWSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000339577015 177260944 /nfs/dbraw/zinc/26/09/44/177260944.db2.gz WNJLLWRPZYIENI-DTWKUNHWSA-N 1 2 232.287 0.863 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000282443629 177261240 /nfs/dbraw/zinc/26/12/40/177261240.db2.gz ZMKQILSSUYJUOC-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000282443629 177261241 /nfs/dbraw/zinc/26/12/41/177261241.db2.gz ZMKQILSSUYJUOC-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CCO1 ZINC000340918947 177267899 /nfs/dbraw/zinc/26/78/99/177267899.db2.gz PDSZTRDQAFYUIM-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CCO1 ZINC000340918947 177267900 /nfs/dbraw/zinc/26/79/00/177267900.db2.gz PDSZTRDQAFYUIM-JTQLQIEISA-N 1 2 236.319 0.763 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C2CC2)O1 ZINC000373477377 177268833 /nfs/dbraw/zinc/26/88/33/177268833.db2.gz ZUVVONGBRAUHTH-CABZTGNLSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C2CC2)O1 ZINC000373477377 177268836 /nfs/dbraw/zinc/26/88/36/177268836.db2.gz ZUVVONGBRAUHTH-CABZTGNLSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](CO)O1 ZINC000191767614 177269455 /nfs/dbraw/zinc/26/94/55/177269455.db2.gz SQVAKLWDAYLTOV-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](CO)O1 ZINC000191767614 177269456 /nfs/dbraw/zinc/26/94/56/177269456.db2.gz SQVAKLWDAYLTOV-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130276 177270347 /nfs/dbraw/zinc/27/03/47/177270347.db2.gz APJWFUFKNLRRHV-JGVFFNPUSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1n[nH]c(=O)[nH]1 ZINC000341130276 177270349 /nfs/dbraw/zinc/27/03/49/177270349.db2.gz APJWFUFKNLRRHV-JGVFFNPUSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)S1(=O)=O ZINC000289481318 177272501 /nfs/dbraw/zinc/27/25/01/177272501.db2.gz IVCZZBVIGLJLFY-IUCAKERBSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H](C)O1 ZINC000336718669 177276018 /nfs/dbraw/zinc/27/60/18/177276018.db2.gz WYXAIAWZPWNGEM-UMNHJUIQSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H](C)O1 ZINC000336718669 177276019 /nfs/dbraw/zinc/27/60/19/177276019.db2.gz WYXAIAWZPWNGEM-UMNHJUIQSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@H]1COCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000286510075 177295598 /nfs/dbraw/zinc/29/55/98/177295598.db2.gz BGWQPSWPOXADCR-QWRGUYRKSA-N 1 2 237.303 0.672 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000336706359 177305217 /nfs/dbraw/zinc/30/52/17/177305217.db2.gz RIOTWOQDCYZNSN-QMMMGPOBSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nnnn1C1CC1 ZINC000336706359 177305218 /nfs/dbraw/zinc/30/52/18/177305218.db2.gz RIOTWOQDCYZNSN-QMMMGPOBSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000282097379 177323002 /nfs/dbraw/zinc/32/30/02/177323002.db2.gz IKMUYAPXDMPYHO-IQJOONFLSA-N 1 2 237.303 0.850 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377338544 177340019 /nfs/dbraw/zinc/34/00/19/177340019.db2.gz YWIVTCAFCIXBKX-XWLWVQCSSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377338544 177340020 /nfs/dbraw/zinc/34/00/20/177340020.db2.gz YWIVTCAFCIXBKX-XWLWVQCSSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000264114608 177344488 /nfs/dbraw/zinc/34/44/88/177344488.db2.gz GSLOVEQPQMREQA-DTWKUNHWSA-N 1 2 222.292 0.875 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CO1 ZINC000162245582 177354553 /nfs/dbraw/zinc/35/45/53/177354553.db2.gz WSQORNGNDXUKLF-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C[C@@H]1C ZINC000352773330 177378216 /nfs/dbraw/zinc/37/82/16/177378216.db2.gz AZVGZCHKWMQTBP-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1NC(=O)N(Cc2ccc(N(C)C)[nH+]c2)C1=O ZINC000272305069 177393846 /nfs/dbraw/zinc/39/38/46/177393846.db2.gz QWPBNLLBBIMTPF-MRVPVSSYSA-N 1 2 248.286 0.588 20 0 BCADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(F)cn1 ZINC000262316360 177399081 /nfs/dbraw/zinc/39/90/81/177399081.db2.gz QXCWHKMQITYLGG-XCBNKYQSSA-N 1 2 239.250 0.536 20 0 BCADLO C[C@H](CNC(=O)N[C@@H](C)CF)[NH+]1CCOCC1 ZINC000479291699 225179643 /nfs/dbraw/zinc/17/96/43/225179643.db2.gz VDRIOVZWYHEIMC-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)nn1C ZINC000487364141 225301004 /nfs/dbraw/zinc/30/10/04/225301004.db2.gz KMKXAHPMMGZFRD-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)nn1C ZINC000487364141 225301008 /nfs/dbraw/zinc/30/10/08/225301008.db2.gz KMKXAHPMMGZFRD-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO CO[C@H]1C[NH+](Cc2ncc[nH]2)C[C@@H]1OC ZINC000488058700 225344898 /nfs/dbraw/zinc/34/48/98/225344898.db2.gz AIWZUQHCOCJLDR-IUCAKERBSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1OC ZINC000488058700 225344900 /nfs/dbraw/zinc/34/49/00/225344900.db2.gz AIWZUQHCOCJLDR-IUCAKERBSA-N 1 2 211.265 0.255 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC12CC2 ZINC000492759383 226048204 /nfs/dbraw/zinc/04/82/04/226048204.db2.gz CEHHAMZEYZOAJA-UPHRSURJSA-N 1 2 233.271 0.814 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775599 226051141 /nfs/dbraw/zinc/05/11/41/226051141.db2.gz YHFJNWWRGNJDJC-NESOUNQCSA-N 1 2 223.276 0.699 20 0 BCADLO COC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810890 226058819 /nfs/dbraw/zinc/05/88/19/226058819.db2.gz JNPZXXKMQYDCLD-MPJRPATESA-N 1 2 209.249 0.574 20 0 BCADLO Cc1nnc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492812767 226059317 /nfs/dbraw/zinc/05/93/17/226059317.db2.gz NSXNPBLSLGYRKF-NSCUHMNNSA-N 1 2 249.299 0.899 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(OC(F)F)C1 ZINC000492820228 226060590 /nfs/dbraw/zinc/06/05/90/226060590.db2.gz AQMXXXGBYOOOEO-OWOJBTEDSA-N 1 2 243.213 0.873 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCOC1 ZINC000492816234 226060596 /nfs/dbraw/zinc/06/05/96/226060596.db2.gz ZPCAACICJHFKEE-XOULXFPDSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCOC1 ZINC000492816233 226060906 /nfs/dbraw/zinc/06/09/06/226060906.db2.gz ZPCAACICJHFKEE-UMBAGQNISA-N 1 2 235.287 0.966 20 0 BCADLO Cn1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492856017 226066398 /nfs/dbraw/zinc/06/63/98/226066398.db2.gz BDBLOOFVRCUTAT-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC1=O ZINC000492860034 226068627 /nfs/dbraw/zinc/06/86/27/226068627.db2.gz HOSSIKXWDFJPSZ-MOVJSRMASA-N 1 2 233.271 0.908 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cnccn1 ZINC000492867918 226071559 /nfs/dbraw/zinc/07/15/59/226071559.db2.gz SGPIOEWDAYWQJK-UPHRSURJSA-N 1 2 243.270 0.572 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1=O ZINC000492867662 226072015 /nfs/dbraw/zinc/07/20/15/226072015.db2.gz RWUKTTIISMVBKR-RQOWECAXSA-N 1 2 244.254 0.760 20 0 BCADLO C[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492896328 226078637 /nfs/dbraw/zinc/07/86/37/226078637.db2.gz IXRRHQKULBXZLY-QAVQXKDTSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCSCC1 ZINC000492913509 226082607 /nfs/dbraw/zinc/08/26/07/226082607.db2.gz QPCFONWWJHSFRM-UPHRSURJSA-N 1 2 223.301 0.998 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CCO)CC1 ZINC000492938445 226087073 /nfs/dbraw/zinc/08/70/73/226087073.db2.gz ADXZQXJESHHZRS-UPHRSURJSA-N 1 2 221.260 0.454 20 0 BCADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCc2n[nH]nc2C1 ZINC000493100409 226127225 /nfs/dbraw/zinc/12/72/25/226127225.db2.gz AUYLJQZUHQGWQG-UPHRSURJSA-N 1 2 244.258 0.126 20 0 BCADLO C[C@H]1C[C@@H](O)CCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493115571 226131348 /nfs/dbraw/zinc/13/13/48/226131348.db2.gz IOGMYGIKBWMBHF-ADLDAWLNSA-N 1 2 235.287 0.795 20 0 BCADLO NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493147119 226139450 /nfs/dbraw/zinc/13/94/50/226139450.db2.gz HWAGNRPATXOKNM-CDAZIORVSA-N 1 2 248.286 0.147 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@H]1CCCCO1 ZINC000493194023 226150805 /nfs/dbraw/zinc/15/08/05/226150805.db2.gz SCFNTWHOJPNKRK-ZWNMCFTASA-N 1 2 237.259 0.997 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](CO)C1CC1 ZINC000493197003 226152164 /nfs/dbraw/zinc/15/21/64/226152164.db2.gz XWRWORYDTRBHNJ-FSIBCCDJSA-N 1 2 235.287 0.558 20 0 BCADLO C[C@H](CCCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493373637 226198379 /nfs/dbraw/zinc/19/83/79/226198379.db2.gz VFVSFOOSHZYNKO-XNPJLODASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1nc(N2CCN3C(=O)OC[C@@H]3C2)cc[nH+]1 ZINC000493427745 226213834 /nfs/dbraw/zinc/21/38/34/226213834.db2.gz QKZPJERXQPDBOA-VIFPVBQESA-N 1 2 234.259 0.426 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1CCOCC1 ZINC000493429614 226214536 /nfs/dbraw/zinc/21/45/36/226214536.db2.gz HUXBMEKSUBHBIA-OWOJBTEDSA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000493496026 226232429 /nfs/dbraw/zinc/23/24/29/226232429.db2.gz PAHGUZZCBIPNHU-QGGOTLGASA-N 1 2 247.298 0.652 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000493496028 226232642 /nfs/dbraw/zinc/23/26/42/226232642.db2.gz PAHGUZZCBIPNHU-UKHPHMTOSA-N 1 2 247.298 0.652 20 0 BCADLO NC(=O)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493589204 226244799 /nfs/dbraw/zinc/24/47/99/226244799.db2.gz SZJUXCAHKAFDRY-UPHRSURJSA-N 1 2 224.220 0.048 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOCC12CC2 ZINC000493600482 226245544 /nfs/dbraw/zinc/24/55/44/226245544.db2.gz XSOYBLHPYACXAG-UPHRSURJSA-N 1 2 233.271 0.814 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1CO ZINC000493699295 226249790 /nfs/dbraw/zinc/24/97/90/226249790.db2.gz VRTXMAVHUFXYCY-AWAZDUCLSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@H]1CCOC1 ZINC000493716903 226250868 /nfs/dbraw/zinc/25/08/68/226250868.db2.gz CUTXOMAATNSAMP-YOLVWIGZSA-N 1 2 235.287 0.966 20 0 BCADLO C[S@@](=O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493834705 226256621 /nfs/dbraw/zinc/25/66/21/226256621.db2.gz HCFOFNDGENXUJQ-QDLOVBKTSA-N 1 2 241.316 0.308 20 0 BCADLO CSCCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493855139 226257541 /nfs/dbraw/zinc/25/75/41/226257541.db2.gz KBCYWQXWRVZYPD-NSCUHMNNSA-N 1 2 227.289 0.834 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494221212 226262411 /nfs/dbraw/zinc/26/24/11/226262411.db2.gz WBHYPAUEJPQNRP-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494221212 226262412 /nfs/dbraw/zinc/26/24/12/226262412.db2.gz WBHYPAUEJPQNRP-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO CCn1nccc1C[NH2+]Cc1cc(C(N)=O)co1 ZINC000494441932 226265086 /nfs/dbraw/zinc/26/50/86/226265086.db2.gz APHHVNLWTFKVEC-UHFFFAOYSA-N 1 2 248.286 0.885 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCCO ZINC000494719730 226268794 /nfs/dbraw/zinc/26/87/94/226268794.db2.gz GIGPYCKDYWEBOI-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)nc[nH+]1 ZINC000497038766 226321005 /nfs/dbraw/zinc/32/10/05/226321005.db2.gz MLYGQGUSWKJZNO-VIFPVBQESA-N 1 2 234.259 0.426 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)[C@H](C)CN1C ZINC000495732715 226287436 /nfs/dbraw/zinc/28/74/36/226287436.db2.gz XSSYPLBLWLUXDZ-GMTAPVOTSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)[C@H](C)CN1C ZINC000495732715 226287437 /nfs/dbraw/zinc/28/74/37/226287437.db2.gz XSSYPLBLWLUXDZ-GMTAPVOTSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@H](C(N)=O)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023491 487664064 /nfs/dbraw/zinc/66/40/64/487664064.db2.gz JWEDBWXXEIJSQL-MRVPVSSYSA-N 1 2 244.298 0.836 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCSCC2)C1 ZINC000557543035 322939122 /nfs/dbraw/zinc/93/91/22/322939122.db2.gz KPEHKEARSJFKPJ-UHFFFAOYSA-N 1 2 228.361 0.904 20 0 BCADLO C[C@H](C(=O)N[C@@H](C)C[S@@](C)=O)[NH+]1CC(C)C1 ZINC000557670357 322940885 /nfs/dbraw/zinc/94/08/85/322940885.db2.gz WDDCJVMBGGJICA-YNHOBRIKSA-N 1 2 246.376 0.210 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H](C)O)[nH+]1 ZINC000309096595 229333334 /nfs/dbraw/zinc/33/33/34/229333334.db2.gz DBRWLGXQQHBACX-LURJTMIESA-N 1 2 211.269 0.039 20 0 BCADLO Cc1nc(NC[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000309096595 229333338 /nfs/dbraw/zinc/33/33/38/229333338.db2.gz DBRWLGXQQHBACX-LURJTMIESA-N 1 2 211.269 0.039 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)[C@H](C)O1 ZINC000632169627 487673360 /nfs/dbraw/zinc/67/33/60/487673360.db2.gz ABEDBYUBNKZLDK-HRDYMLBCSA-N 1 2 236.271 0.961 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC[C@H]2C)c[nH+]1 ZINC000278394859 487683259 /nfs/dbraw/zinc/68/32/59/487683259.db2.gz DBWOYDPATSCULZ-VXNVDRBHSA-N 1 2 223.276 0.873 20 0 BCADLO Cc1nc2c(cccc2C(=O)N2CC[NH2+]CC2)[nH]1 ZINC000096985454 487685351 /nfs/dbraw/zinc/68/53/51/487685351.db2.gz HYBRVLFMJOAWGR-UHFFFAOYSA-N 1 2 244.298 0.917 20 0 BCADLO CCc1cc(NC[C@H]2CCCNC2=O)nc[nH+]1 ZINC000665740754 487689801 /nfs/dbraw/zinc/68/98/01/487689801.db2.gz IVENROSGOWVBME-SECBINFHSA-N 1 2 234.303 0.977 20 0 BCADLO COCC[NH2+]Cc1nc(C2CCOCC2)no1 ZINC000087812850 487691042 /nfs/dbraw/zinc/69/10/42/487691042.db2.gz JHRQFYRHARIIJK-UHFFFAOYSA-N 1 2 241.291 0.700 20 0 BCADLO CC(C)[C@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844183 487691181 /nfs/dbraw/zinc/69/11/81/487691181.db2.gz KXXHMZZEICMPBY-SSDOTTSWSA-N 1 2 215.253 0.224 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844183 487691184 /nfs/dbraw/zinc/69/11/84/487691184.db2.gz KXXHMZZEICMPBY-SSDOTTSWSA-N 1 2 215.253 0.224 20 0 BCADLO CC[C@](C)(OC)C(=O)NCCn1cc[nH+]c1 ZINC000280112703 487697069 /nfs/dbraw/zinc/69/70/69/487697069.db2.gz VUBSNEMDJNFQCM-NSHDSACASA-N 1 2 225.292 0.814 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H]2CCCOC2)o1 ZINC000671704170 487697917 /nfs/dbraw/zinc/69/79/17/487697917.db2.gz SEFJHXQDVAESKH-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H]2CCCOC2)o1 ZINC000671704170 487697921 /nfs/dbraw/zinc/69/79/21/487697921.db2.gz SEFJHXQDVAESKH-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@H](C)c1cnccn1 ZINC000681019897 487697569 /nfs/dbraw/zinc/69/75/69/487697569.db2.gz RNPGAJPTSAFFDP-SNVBAGLBSA-N 1 2 236.319 0.948 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)c1cnccn1 ZINC000681019897 487697572 /nfs/dbraw/zinc/69/75/72/487697572.db2.gz RNPGAJPTSAFFDP-SNVBAGLBSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1ccnc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000527461503 262844269 /nfs/dbraw/zinc/84/42/69/262844269.db2.gz YOOGEKFKSCVMJE-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO O=C(NC1(CO)CCC1)c1ccc2[nH+]ccn2c1 ZINC000678093570 487699737 /nfs/dbraw/zinc/69/97/37/487699737.db2.gz ORTWIUFPUNXOFE-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1ccc(O)c(F)c1 ZINC000681058153 487704309 /nfs/dbraw/zinc/70/43/09/487704309.db2.gz IVQCOCCCCYMVSM-UHFFFAOYSA-N 1 2 238.262 0.967 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](COC)OC)C1 ZINC000660862479 487708904 /nfs/dbraw/zinc/70/89/04/487708904.db2.gz RQDBCGLKCFPERB-SNVBAGLBSA-N 1 2 230.308 0.160 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000660862479 487708909 /nfs/dbraw/zinc/70/89/09/487708909.db2.gz RQDBCGLKCFPERB-SNVBAGLBSA-N 1 2 230.308 0.160 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCCOCC2)n1 ZINC000332195838 487719952 /nfs/dbraw/zinc/71/99/52/487719952.db2.gz ARLRPAAXOXIMMK-UHFFFAOYSA-N 1 2 208.265 0.281 20 0 BCADLO Nc1ccnc(C[N@H+]2CCCOCC2)n1 ZINC000332195838 487719953 /nfs/dbraw/zinc/71/99/53/487719953.db2.gz ARLRPAAXOXIMMK-UHFFFAOYSA-N 1 2 208.265 0.281 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCC1 ZINC000903002068 584716369 /nfs/dbraw/zinc/71/63/69/584716369.db2.gz VKHKTXYWMLGXSX-VIFPVBQESA-N 1 2 200.257 0.653 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCC1 ZINC000903002068 584716371 /nfs/dbraw/zinc/71/63/71/584716371.db2.gz VKHKTXYWMLGXSX-VIFPVBQESA-N 1 2 200.257 0.653 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000681105183 487724506 /nfs/dbraw/zinc/72/45/06/487724506.db2.gz QHHWONYPMZPZNT-QCNOEVLYSA-N 1 2 240.347 0.868 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)[nH]1 ZINC000661596676 487726917 /nfs/dbraw/zinc/72/69/17/487726917.db2.gz KEXDXGVIYGFFNG-NXEZZACHSA-N 1 2 249.318 0.214 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)[nH]1 ZINC000661596676 487726922 /nfs/dbraw/zinc/72/69/22/487726922.db2.gz KEXDXGVIYGFFNG-NXEZZACHSA-N 1 2 249.318 0.214 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000681117049 487731100 /nfs/dbraw/zinc/73/11/00/487731100.db2.gz HGJFTZHHZQXZTF-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000681117049 487731105 /nfs/dbraw/zinc/73/11/05/487731105.db2.gz HGJFTZHHZQXZTF-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000681121766 487733939 /nfs/dbraw/zinc/73/39/39/487733939.db2.gz ZUGPJKCIEMRPLU-TUAOUCFPSA-N 1 2 238.331 0.576 20 0 BCADLO CC(C)[C@@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000665702173 487735236 /nfs/dbraw/zinc/73/52/36/487735236.db2.gz GOILTKBEWIFJQZ-QMMMGPOBSA-N 1 2 238.291 0.710 20 0 BCADLO CC(C)[C@@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000665702173 487735241 /nfs/dbraw/zinc/73/52/41/487735241.db2.gz GOILTKBEWIFJQZ-QMMMGPOBSA-N 1 2 238.291 0.710 20 0 BCADLO CC(C)[C@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000665702172 487734775 /nfs/dbraw/zinc/73/47/75/487734775.db2.gz GOILTKBEWIFJQZ-MRVPVSSYSA-N 1 2 238.291 0.710 20 0 BCADLO CC(C)[C@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000665702172 487734776 /nfs/dbraw/zinc/73/47/76/487734776.db2.gz GOILTKBEWIFJQZ-MRVPVSSYSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@H]([NH2+]CCOCC1CC1)c1ncn(C)n1 ZINC000336754115 487735463 /nfs/dbraw/zinc/73/54/63/487735463.db2.gz WTVJNRCHJNGDAZ-VIFPVBQESA-N 1 2 224.308 0.892 20 0 BCADLO C[C@H](CO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665708667 487736748 /nfs/dbraw/zinc/73/67/48/487736748.db2.gz WQZBGAVPEWAERZ-SSDOTTSWSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@H](CO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665708667 487736757 /nfs/dbraw/zinc/73/67/57/487736757.db2.gz WQZBGAVPEWAERZ-SSDOTTSWSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@@H](O)C[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665711055 487737441 /nfs/dbraw/zinc/73/74/41/487737441.db2.gz HBFUJNJKZUCNOB-HTQZYQBOSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@@H](O)C[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665711055 487737443 /nfs/dbraw/zinc/73/74/43/487737443.db2.gz HBFUJNJKZUCNOB-HTQZYQBOSA-N 1 2 238.291 0.852 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1nc[nH+]c2c1OCCN2 ZINC000665714140 487737478 /nfs/dbraw/zinc/73/74/78/487737478.db2.gz ZPCXWNGPHFQZBP-HTQZYQBOSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]cnc2c1OCCN2 ZINC000665714140 487737481 /nfs/dbraw/zinc/73/74/81/487737481.db2.gz ZPCXWNGPHFQZBP-HTQZYQBOSA-N 1 2 236.275 0.240 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000681166508 487739721 /nfs/dbraw/zinc/73/97/21/487739721.db2.gz PIYCXGXKTFVCQX-UHFFFAOYSA-N 1 2 246.261 0.536 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC000681166508 487739725 /nfs/dbraw/zinc/73/97/25/487739725.db2.gz PIYCXGXKTFVCQX-UHFFFAOYSA-N 1 2 246.261 0.536 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000676743945 487741956 /nfs/dbraw/zinc/74/19/56/487741956.db2.gz VENSDOTYVHZMOU-GHMZBOCLSA-N 1 2 239.319 0.939 20 0 BCADLO CC1(C)CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000666189753 487742328 /nfs/dbraw/zinc/74/23/28/487742328.db2.gz NKFGLFFJOLIBKX-LLVKDONJSA-N 1 2 240.347 0.559 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912828 487743382 /nfs/dbraw/zinc/74/33/82/487743382.db2.gz NJZDNIHNSGLMEK-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912828 487743385 /nfs/dbraw/zinc/74/33/85/487743385.db2.gz NJZDNIHNSGLMEK-MWLCHTKSSA-N 1 2 224.308 0.847 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H]2COC)[nH]1 ZINC000681209568 487749212 /nfs/dbraw/zinc/74/92/12/487749212.db2.gz TUHWSSPFTLTUGW-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H]2COC)[nH]1 ZINC000681209568 487749216 /nfs/dbraw/zinc/74/92/16/487749216.db2.gz TUHWSSPFTLTUGW-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCOC ZINC000741783302 585118405 /nfs/dbraw/zinc/11/84/05/585118405.db2.gz YRBTXCRNGBDAKI-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCOC ZINC000741783302 585118406 /nfs/dbraw/zinc/11/84/06/585118406.db2.gz YRBTXCRNGBDAKI-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCNC(=O)[C@H]2C)n1 ZINC000649506704 487756702 /nfs/dbraw/zinc/75/67/02/487756702.db2.gz TYOBHSALRIFGEU-SNVBAGLBSA-N 1 2 234.303 0.148 20 0 BCADLO Cc1cncc(CC[N@H+]2CCNC(=O)[C@H]2C)n1 ZINC000649506704 487756706 /nfs/dbraw/zinc/75/67/06/487756706.db2.gz TYOBHSALRIFGEU-SNVBAGLBSA-N 1 2 234.303 0.148 20 0 BCADLO COCCOCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792541 487763479 /nfs/dbraw/zinc/76/34/79/487763479.db2.gz QFIRVCXBGRGJMH-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO COCCOCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676792541 487763485 /nfs/dbraw/zinc/76/34/85/487763485.db2.gz QFIRVCXBGRGJMH-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO COCCOCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792541 487763489 /nfs/dbraw/zinc/76/34/89/487763489.db2.gz QFIRVCXBGRGJMH-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO COCCOCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676792541 487763492 /nfs/dbraw/zinc/76/34/92/487763492.db2.gz QFIRVCXBGRGJMH-UHFFFAOYSA-N 1 2 225.292 0.431 20 0 BCADLO C[C@@H](CCO)NC(=O)CCCn1cc[nH+]c1 ZINC000675720037 487769195 /nfs/dbraw/zinc/76/91/95/487769195.db2.gz DGNDWDIXEMLYKB-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO CCCN(CCO)c1nc(C)[nH+]c(N(C)C)n1 ZINC000675720882 487769795 /nfs/dbraw/zinc/76/97/95/487769795.db2.gz QMINMEMTYGCRFF-UHFFFAOYSA-N 1 2 239.323 0.455 20 0 BCADLO CCCN(CCO)c1nc(N(C)C)nc(C)[nH+]1 ZINC000675720882 487769799 /nfs/dbraw/zinc/76/97/99/487769799.db2.gz QMINMEMTYGCRFF-UHFFFAOYSA-N 1 2 239.323 0.455 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649619617 487774372 /nfs/dbraw/zinc/77/43/72/487774372.db2.gz VAIUHGQNWQHBRF-GFCCVEGCSA-N 1 2 237.303 0.022 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649619617 487774375 /nfs/dbraw/zinc/77/43/75/487774375.db2.gz VAIUHGQNWQHBRF-GFCCVEGCSA-N 1 2 237.303 0.022 20 0 BCADLO Cn1ccc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000681344667 487780703 /nfs/dbraw/zinc/78/07/03/487780703.db2.gz SIBWLKBSEHNQFQ-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)c1c[nH]cn1 ZINC000681355954 487782933 /nfs/dbraw/zinc/78/29/33/487782933.db2.gz CYHFOQMFTLFSCL-UHFFFAOYSA-N 1 2 231.259 0.545 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)c1cn[nH]c1 ZINC000681358161 487783761 /nfs/dbraw/zinc/78/37/61/487783761.db2.gz RZRRBEJXYBXTJC-UHFFFAOYSA-N 1 2 231.259 0.545 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681361296 487784676 /nfs/dbraw/zinc/78/46/76/487784676.db2.gz CIHPFFITZGWBQV-UWVGGRQHSA-N 1 2 249.314 0.933 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000385595992 487790547 /nfs/dbraw/zinc/79/05/47/487790547.db2.gz XVIZGHDTGOPQAT-MBTKJCJQSA-N 1 2 219.244 0.325 20 0 BCADLO C[C@@H](COCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC000652905474 487791353 /nfs/dbraw/zinc/79/13/53/487791353.db2.gz TVQQZENVNUDACG-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO COCCC1C[NH+](Cc2cncnc2OC)C1 ZINC000668471869 487795988 /nfs/dbraw/zinc/79/59/88/487795988.db2.gz OHBUVLPMSGRIGA-UHFFFAOYSA-N 1 2 237.303 0.954 20 0 BCADLO CN1CCN(CC(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000684216860 487796441 /nfs/dbraw/zinc/79/64/41/487796441.db2.gz UNAMPADUWHWEAC-MRVPVSSYSA-N 1 2 230.262 0.963 20 0 BCADLO CC[C@@](C)(O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676079853 487810129 /nfs/dbraw/zinc/81/01/29/487810129.db2.gz KLECBTGTGKKICU-LLVKDONJSA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@@](C)(O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000676079853 487810139 /nfs/dbraw/zinc/81/01/39/487810139.db2.gz KLECBTGTGKKICU-LLVKDONJSA-N 1 2 239.323 0.819 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncc[nH]1 ZINC000666449677 487811903 /nfs/dbraw/zinc/81/19/03/487811903.db2.gz HNCQNDIGBGWUAO-QMMMGPOBSA-N 1 2 219.248 0.425 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](CO)CC1 ZINC000676103220 487812599 /nfs/dbraw/zinc/81/25/99/487812599.db2.gz BFFPDFRHFBDQHH-PHIMTYICSA-N 1 2 237.303 0.550 20 0 BCADLO CCn1cnc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000666449974 487812709 /nfs/dbraw/zinc/81/27/09/487812709.db2.gz KUKCEAQYODTCFR-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C1CC1 ZINC000666451852 487812758 /nfs/dbraw/zinc/81/27/58/487812758.db2.gz QAOKMHSMTIHLEW-PSASIEDQSA-N 1 2 223.276 0.159 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884663 487812830 /nfs/dbraw/zinc/81/28/30/487812830.db2.gz XYKHMOCQVAYTFI-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884663 487812835 /nfs/dbraw/zinc/81/28/35/487812835.db2.gz XYKHMOCQVAYTFI-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)n1C ZINC000674313811 487815507 /nfs/dbraw/zinc/81/55/07/487815507.db2.gz NURKRZRUJVNIHC-SNVBAGLBSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)n1C ZINC000674313811 487815511 /nfs/dbraw/zinc/81/55/11/487815511.db2.gz NURKRZRUJVNIHC-SNVBAGLBSA-N 1 2 224.308 0.326 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481753 487818126 /nfs/dbraw/zinc/81/81/26/487818126.db2.gz RANXJUSSPLXTQS-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000666481753 487818130 /nfs/dbraw/zinc/81/81/30/487818130.db2.gz RANXJUSSPLXTQS-MFKMUULPSA-N 1 2 237.299 0.974 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CCOC1 ZINC000681584472 487818697 /nfs/dbraw/zinc/81/86/97/487818697.db2.gz ARSYMQQKLMHKEC-NSHDSACASA-N 1 2 223.276 0.258 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681601483 487821363 /nfs/dbraw/zinc/82/13/63/487821363.db2.gz MPVWTHKHWIGXAY-SECBINFHSA-N 1 2 248.290 0.671 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681601483 487821367 /nfs/dbraw/zinc/82/13/67/487821367.db2.gz MPVWTHKHWIGXAY-SECBINFHSA-N 1 2 248.290 0.671 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681628639 487825314 /nfs/dbraw/zinc/82/53/14/487825314.db2.gz KVQRPKHKXAZOJN-LLVKDONJSA-N 1 2 232.291 0.757 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681628639 487825323 /nfs/dbraw/zinc/82/53/23/487825323.db2.gz KVQRPKHKXAZOJN-LLVKDONJSA-N 1 2 232.291 0.757 20 0 BCADLO C[C@H](C(=O)OC[C@H](C)O)[NH+]1CCSCC1 ZINC000792052068 585995035 /nfs/dbraw/zinc/99/50/35/585995035.db2.gz ZAAXQJJFMILBAY-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(CC(F)F)C[C@@H]21 ZINC000676241205 487828067 /nfs/dbraw/zinc/82/80/67/487828067.db2.gz HYNHMGGFSOPZAZ-JGVFFNPUSA-N 1 2 206.236 0.266 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(CC(F)F)C[C@@H]21 ZINC000676241205 487828072 /nfs/dbraw/zinc/82/80/72/487828072.db2.gz HYNHMGGFSOPZAZ-JGVFFNPUSA-N 1 2 206.236 0.266 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CCOC)n1 ZINC000823395622 587219731 /nfs/dbraw/zinc/21/97/31/587219731.db2.gz YQVPPXWDHXTVEH-UHFFFAOYSA-N 1 2 212.297 0.685 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CCOC)n1 ZINC000823395622 587219732 /nfs/dbraw/zinc/21/97/32/587219732.db2.gz YQVPPXWDHXTVEH-UHFFFAOYSA-N 1 2 212.297 0.685 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)CCNC(C)=O ZINC000830131133 587538340 /nfs/dbraw/zinc/53/83/40/587538340.db2.gz PFPPZRGFKNNFFW-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCNC(C)=O ZINC000830131133 587538342 /nfs/dbraw/zinc/53/83/42/587538342.db2.gz PFPPZRGFKNNFFW-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO O=C1CC(F)(F)CN1C[NH+]1CCSCC1 ZINC000841678083 587972030 /nfs/dbraw/zinc/97/20/30/587972030.db2.gz HEHHWRJRWGOFMA-UHFFFAOYSA-N 1 2 236.287 0.860 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1cnsn1 ZINC000847012186 588301549 /nfs/dbraw/zinc/30/15/49/588301549.db2.gz HLHUQCZLPABXBB-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1cnsn1 ZINC000847012186 588301550 /nfs/dbraw/zinc/30/15/50/588301550.db2.gz HLHUQCZLPABXBB-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CCOCC[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495210469 528751902 /nfs/dbraw/zinc/75/19/02/528751902.db2.gz KRHQCQPEQCBMHW-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCOCC[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495210469 528751906 /nfs/dbraw/zinc/75/19/06/528751906.db2.gz KRHQCQPEQCBMHW-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO O[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000852413746 588681782 /nfs/dbraw/zinc/68/17/82/588681782.db2.gz DOJVNPICXFPHFB-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000852413746 588681783 /nfs/dbraw/zinc/68/17/83/588681783.db2.gz DOJVNPICXFPHFB-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21C(=O)NCc1c[nH+]c[nH]1 ZINC000668995090 487844211 /nfs/dbraw/zinc/84/42/11/487844211.db2.gz GQYPYGZVPOIXQV-PRHODGIISA-N 1 2 235.287 0.841 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21C(=O)NCc1c[nH]c[nH+]1 ZINC000668995090 487844216 /nfs/dbraw/zinc/84/42/16/487844216.db2.gz GQYPYGZVPOIXQV-PRHODGIISA-N 1 2 235.287 0.841 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000668496097 487854085 /nfs/dbraw/zinc/85/40/85/487854085.db2.gz HFQIDHBZZXDMSI-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000668496097 487854091 /nfs/dbraw/zinc/85/40/91/487854091.db2.gz HFQIDHBZZXDMSI-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H]1COCCCN1c1[nH+]cnc2c1cnn2C ZINC000676492945 487856637 /nfs/dbraw/zinc/85/66/37/487856637.db2.gz ZLXWNJOYJPFTEB-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO O=C(Cn1ccnc1)NCCCCn1cc[nH+]c1 ZINC000564637969 322954804 /nfs/dbraw/zinc/95/48/04/322954804.db2.gz JRQGRXILZFGBGY-UHFFFAOYSA-N 1 2 247.302 0.676 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000564642207 322956413 /nfs/dbraw/zinc/95/64/13/322956413.db2.gz IXGOYFZENWWXLQ-JTQLQIEISA-N 1 2 245.286 0.280 20 0 BCADLO O=C1[C@H](Nc2cccc[nH+]2)CCCN1CCO ZINC000669824341 487865869 /nfs/dbraw/zinc/86/58/69/487865869.db2.gz JPXNAZKFMYURNA-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000564645397 322959373 /nfs/dbraw/zinc/95/93/73/322959373.db2.gz YMLYIBFAKYPBAY-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1ccon1 ZINC000334338643 487867878 /nfs/dbraw/zinc/86/78/78/487867878.db2.gz YYTWRHCKFFFKQV-UHFFFAOYSA-N 1 2 221.220 0.730 20 0 BCADLO c1nn2c(c1C[N@@H+]1CCO[C@H]3C[C@H]31)CCC2 ZINC000668186361 487868779 /nfs/dbraw/zinc/86/87/79/487868779.db2.gz HIGGBLUEXLWOPA-NEPJUHHUSA-N 1 2 219.288 0.802 20 0 BCADLO c1nn2c(c1C[N@H+]1CCO[C@H]3C[C@H]31)CCC2 ZINC000668186361 487868782 /nfs/dbraw/zinc/86/87/82/487868782.db2.gz HIGGBLUEXLWOPA-NEPJUHHUSA-N 1 2 219.288 0.802 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2csnn2)C1 ZINC000306890403 487875584 /nfs/dbraw/zinc/87/55/84/487875584.db2.gz VDYGKOMFWJGKPQ-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2csnn2)C1 ZINC000306890403 487875588 /nfs/dbraw/zinc/87/55/88/487875588.db2.gz VDYGKOMFWJGKPQ-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC[C@@H](CO)CC2)c[nH+]1 ZINC000676627745 487881055 /nfs/dbraw/zinc/88/10/55/487881055.db2.gz OSJDYJYIBXIETD-AOOOYVTPSA-N 1 2 237.303 0.999 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000669440311 487885521 /nfs/dbraw/zinc/88/55/21/487885521.db2.gz XONVZZJRXNYKHV-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO C[C@H](CNC(=O)[C@@H](O)C1CC1)Cn1cc[nH+]c1 ZINC000669019906 487884985 /nfs/dbraw/zinc/88/49/85/487884985.db2.gz ZHTRXOJHBJARHD-KOLCDFICSA-N 1 2 237.303 0.406 20 0 BCADLO C[C@H](CO)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682034238 487886390 /nfs/dbraw/zinc/88/63/90/487886390.db2.gz QNLRYOKKGXMRIQ-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682034238 487886394 /nfs/dbraw/zinc/88/63/94/487886394.db2.gz QNLRYOKKGXMRIQ-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676664839 487887601 /nfs/dbraw/zinc/88/76/01/487887601.db2.gz UVNHHFMDSLWTRC-QMMMGPOBSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@@H](CO)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676664838 487887928 /nfs/dbraw/zinc/88/79/28/487887928.db2.gz UVNHHFMDSLWTRC-MRVPVSSYSA-N 1 2 240.307 0.318 20 0 BCADLO CCn1cnc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000668535307 487898099 /nfs/dbraw/zinc/89/80/99/487898099.db2.gz FZPWTFOVHKNOLQ-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000668536450 487900426 /nfs/dbraw/zinc/90/04/26/487900426.db2.gz UANZDBLRZOYTMF-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1cc(N2CC[C@@H]([N@H+]3CC=CCC3)C2=O)cn1 ZINC000679324139 487904680 /nfs/dbraw/zinc/90/46/80/487904680.db2.gz MJHKYEQUNVLLHW-GFCCVEGCSA-N 1 2 246.314 0.787 20 0 BCADLO Cn1cc(N2CC[C@@H]([N@@H+]3CC=CCC3)C2=O)cn1 ZINC000679324139 487904683 /nfs/dbraw/zinc/90/46/83/487904683.db2.gz MJHKYEQUNVLLHW-GFCCVEGCSA-N 1 2 246.314 0.787 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1[nH+]ccn1C ZINC000676747885 487915705 /nfs/dbraw/zinc/91/57/05/487915705.db2.gz NMVYUGSQOHWJBS-VIFPVBQESA-N 1 2 225.292 0.587 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668543601 487916590 /nfs/dbraw/zinc/91/65/90/487916590.db2.gz XNNLKJWWNQAANS-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668543601 487916594 /nfs/dbraw/zinc/91/65/94/487916594.db2.gz XNNLKJWWNQAANS-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000682155965 487917345 /nfs/dbraw/zinc/91/73/45/487917345.db2.gz GGGMQORMNDARTK-OCAPTIKFSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000682155965 487917348 /nfs/dbraw/zinc/91/73/48/487917348.db2.gz GGGMQORMNDARTK-OCAPTIKFSA-N 1 2 245.710 0.001 20 0 BCADLO C[N@@H+](Cc1cocn1)C[C@H]1COCCO1 ZINC000668544614 487918514 /nfs/dbraw/zinc/91/85/14/487918514.db2.gz DXSBTDLQMYUGRO-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO C[N@H+](Cc1cocn1)C[C@H]1COCCO1 ZINC000668544614 487918519 /nfs/dbraw/zinc/91/85/19/487918519.db2.gz DXSBTDLQMYUGRO-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO CC[C@](C)(O)C[NH+]1CCS(=O)CC1 ZINC000119412650 487919835 /nfs/dbraw/zinc/91/98/35/487919835.db2.gz CUEAFNQCHZDZPH-VIFPVBQESA-N 1 2 205.323 0.212 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1C[C@H](O)C1 ZINC000666974646 487921211 /nfs/dbraw/zinc/92/12/11/487921211.db2.gz VTJOGXSSTGWIRX-MGCOHNPYSA-N 1 2 246.270 0.979 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000045752100 487922829 /nfs/dbraw/zinc/92/28/29/487922829.db2.gz MQAXFAYUFMOFEZ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000045752100 487922835 /nfs/dbraw/zinc/92/28/35/487922835.db2.gz MQAXFAYUFMOFEZ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229576389 487926333 /nfs/dbraw/zinc/92/63/33/487926333.db2.gz GWOOJDGAINSXHG-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229576389 487926339 /nfs/dbraw/zinc/92/63/39/487926339.db2.gz GWOOJDGAINSXHG-QWRGUYRKSA-N 1 2 238.335 0.891 20 0 BCADLO C[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)CO1 ZINC000682209594 487927185 /nfs/dbraw/zinc/92/71/85/487927185.db2.gz LGVZXZOEGBDUDU-UWVGGRQHSA-N 1 2 249.314 0.933 20 0 BCADLO C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)CO1 ZINC000682209595 487927358 /nfs/dbraw/zinc/92/73/58/487927358.db2.gz LGVZXZOEGBDUDU-VHSXEESVSA-N 1 2 249.314 0.933 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792401 487929476 /nfs/dbraw/zinc/92/94/76/487929476.db2.gz CCKYYVYNDFPDKE-JTQLQIEISA-N 1 2 220.276 0.046 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCc2c[nH]nc2C1 ZINC000676792401 487929479 /nfs/dbraw/zinc/92/94/79/487929479.db2.gz CCKYYVYNDFPDKE-JTQLQIEISA-N 1 2 220.276 0.046 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676796132 487933193 /nfs/dbraw/zinc/93/31/93/487933193.db2.gz YTMFGVGIJPBBMH-SNVBAGLBSA-N 1 2 225.292 0.165 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676796132 487933198 /nfs/dbraw/zinc/93/31/98/487933198.db2.gz YTMFGVGIJPBBMH-SNVBAGLBSA-N 1 2 225.292 0.165 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676796132 487933205 /nfs/dbraw/zinc/93/32/05/487933205.db2.gz YTMFGVGIJPBBMH-SNVBAGLBSA-N 1 2 225.292 0.165 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676796132 487933210 /nfs/dbraw/zinc/93/32/10/487933210.db2.gz YTMFGVGIJPBBMH-SNVBAGLBSA-N 1 2 225.292 0.165 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnc2n1CCCC2 ZINC000676817986 487934206 /nfs/dbraw/zinc/93/42/06/487934206.db2.gz SIARERNLLPRTSJ-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnc2n1CCCC2 ZINC000676817986 487934198 /nfs/dbraw/zinc/93/41/98/487934198.db2.gz SIARERNLLPRTSJ-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000669933959 487938356 /nfs/dbraw/zinc/93/83/56/487938356.db2.gz LEPNBUBVPWQJDY-NWDGAFQWSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000669933959 487938363 /nfs/dbraw/zinc/93/83/63/487938363.db2.gz LEPNBUBVPWQJDY-NWDGAFQWSA-N 1 2 239.315 0.845 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000669621282 487940496 /nfs/dbraw/zinc/94/04/96/487940496.db2.gz DBSGQSNRQZEQNV-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000669621282 487940502 /nfs/dbraw/zinc/94/05/02/487940502.db2.gz DBSGQSNRQZEQNV-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO CCCCn1nnnc1C[N@H+](CCO)C(C)C ZINC000049826727 487942613 /nfs/dbraw/zinc/94/26/13/487942613.db2.gz OVLSAJJGDZFGPD-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CCO)C(C)C ZINC000049826727 487942626 /nfs/dbraw/zinc/94/26/26/487942626.db2.gz OVLSAJJGDZFGPD-UHFFFAOYSA-N 1 2 241.339 0.676 20 0 BCADLO CCc1noc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000682374072 487944041 /nfs/dbraw/zinc/94/40/41/487944041.db2.gz ZTLKNSHNQDAQJJ-IUCAKERBSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1noc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000682374072 487944044 /nfs/dbraw/zinc/94/40/44/487944044.db2.gz ZTLKNSHNQDAQJJ-IUCAKERBSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1noc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000682374073 487943902 /nfs/dbraw/zinc/94/39/02/487943902.db2.gz ZTLKNSHNQDAQJJ-RKDXNWHRSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1noc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000682374073 487943906 /nfs/dbraw/zinc/94/39/06/487943906.db2.gz ZTLKNSHNQDAQJJ-RKDXNWHRSA-N 1 2 243.307 0.196 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666012954 487944595 /nfs/dbraw/zinc/94/45/95/487944595.db2.gz MECJQNQCMUAYHO-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000682422304 487956239 /nfs/dbraw/zinc/95/62/39/487956239.db2.gz QHHWONYPMZPZNT-DDHJBXDOSA-N 1 2 240.347 0.868 20 0 BCADLO CN(C)C(=O)N1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000559683322 322979174 /nfs/dbraw/zinc/97/91/74/322979174.db2.gz ZQDUZHICAXZFSX-UHFFFAOYSA-N 1 2 237.307 0.968 20 0 BCADLO CCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000560237377 322984502 /nfs/dbraw/zinc/98/45/02/322984502.db2.gz QXHOETYXNWLRNU-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@H]1CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561451687 323001997 /nfs/dbraw/zinc/00/19/97/323001997.db2.gz IGVINMIEJDAECH-WPRPVWTQSA-N 1 2 207.277 0.877 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)O1 ZINC000151130637 323010244 /nfs/dbraw/zinc/01/02/44/323010244.db2.gz DBLRDODMJLUAQB-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000151130637 323010245 /nfs/dbraw/zinc/01/02/45/323010245.db2.gz DBLRDODMJLUAQB-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO CCC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000564736158 323014076 /nfs/dbraw/zinc/01/40/76/323014076.db2.gz IYFYFOJYKDICHT-MRVPVSSYSA-N 1 2 223.276 0.684 20 0 BCADLO CCC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000564736158 323014077 /nfs/dbraw/zinc/01/40/77/323014077.db2.gz IYFYFOJYKDICHT-MRVPVSSYSA-N 1 2 223.276 0.684 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000562263296 323014274 /nfs/dbraw/zinc/01/42/74/323014274.db2.gz SZYNJUPXJJRVEE-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000562263296 323014275 /nfs/dbraw/zinc/01/42/75/323014275.db2.gz SZYNJUPXJJRVEE-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO OCC1(C[N@@H+]2CCC(F)(F)C2)COC1 ZINC000259488985 323016045 /nfs/dbraw/zinc/01/60/45/323016045.db2.gz NAPSAHZXJDZGLA-UHFFFAOYSA-N 1 2 207.220 0.336 20 0 BCADLO OCC1(C[N@H+]2CCC(F)(F)C2)COC1 ZINC000259488985 323016046 /nfs/dbraw/zinc/01/60/46/323016046.db2.gz NAPSAHZXJDZGLA-UHFFFAOYSA-N 1 2 207.220 0.336 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)CCNC(C)=O ZINC000562543119 323023557 /nfs/dbraw/zinc/02/35/57/323023557.db2.gz JVAHFBNPLXVZKD-NSHDSACASA-N 1 2 244.335 0.642 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCNC(C)=O ZINC000562543119 323023558 /nfs/dbraw/zinc/02/35/58/323023558.db2.gz JVAHFBNPLXVZKD-NSHDSACASA-N 1 2 244.335 0.642 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccncn1 ZINC000562547402 323024226 /nfs/dbraw/zinc/02/42/26/323024226.db2.gz HEWIAIYLRBGHED-UHFFFAOYSA-N 1 2 246.274 0.874 20 0 BCADLO CC(C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564562187 323033937 /nfs/dbraw/zinc/03/39/37/323033937.db2.gz DPVOAZUDGIHDTG-QMMMGPOBSA-N 1 2 213.306 0.915 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000569690142 323037049 /nfs/dbraw/zinc/03/70/49/323037049.db2.gz YNUMCGGWDRPGPO-ZJUUUORDSA-N 1 2 236.319 0.978 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000569690142 323037050 /nfs/dbraw/zinc/03/70/50/323037050.db2.gz YNUMCGGWDRPGPO-ZJUUUORDSA-N 1 2 236.319 0.978 20 0 BCADLO O=S1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159810519 323048973 /nfs/dbraw/zinc/04/89/73/323048973.db2.gz FLXUZVLWGIQQFV-UHFFFAOYSA-N 1 2 249.339 0.899 20 0 BCADLO Cc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC000570098570 323049792 /nfs/dbraw/zinc/04/97/92/323049792.db2.gz FEZUDFGKFJARNO-SSDOTTSWSA-N 1 2 234.263 0.899 20 0 BCADLO Cc1nnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]1 ZINC000570098570 323049793 /nfs/dbraw/zinc/04/97/93/323049793.db2.gz FEZUDFGKFJARNO-SSDOTTSWSA-N 1 2 234.263 0.899 20 0 BCADLO NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000570236969 323053984 /nfs/dbraw/zinc/05/39/84/323053984.db2.gz ONXLEPWEFNUANJ-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000570236969 323053985 /nfs/dbraw/zinc/05/39/85/323053985.db2.gz ONXLEPWEFNUANJ-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO COc1ccc[nH+]c1N1CCC[C@](O)(CO)C1 ZINC000313677959 323054149 /nfs/dbraw/zinc/05/41/49/323054149.db2.gz VUDKFVFIXJMPOA-GFCCVEGCSA-N 1 2 238.287 0.414 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@H](CF)C1 ZINC000570294650 323055743 /nfs/dbraw/zinc/05/57/43/323055743.db2.gz VAZSHCHKNSYBLJ-SSDOTTSWSA-N 1 2 242.254 0.242 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@H](CF)C1 ZINC000570294650 323055744 /nfs/dbraw/zinc/05/57/44/323055744.db2.gz VAZSHCHKNSYBLJ-SSDOTTSWSA-N 1 2 242.254 0.242 20 0 BCADLO C[C@@](O)(CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000570693376 323067471 /nfs/dbraw/zinc/06/74/71/323067471.db2.gz COBPJANECUBDRE-CYBMUJFWSA-N 1 2 240.347 0.605 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn2c1CCC2 ZINC000570698616 323067793 /nfs/dbraw/zinc/06/77/93/323067793.db2.gz HXNXRXCUMADMHD-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cnn2c1CCC2 ZINC000570698616 323067794 /nfs/dbraw/zinc/06/77/94/323067794.db2.gz HXNXRXCUMADMHD-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1c[nH+]cc1CN1CCN(C)C(=O)C1 ZINC000570851949 323072605 /nfs/dbraw/zinc/07/26/05/323072605.db2.gz QEIXXTPSCQQSLZ-UHFFFAOYSA-N 1 2 222.292 0.177 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO1 ZINC000572660560 323073246 /nfs/dbraw/zinc/07/32/46/323073246.db2.gz KYCJOLJLTPHACE-QMMMGPOBSA-N 1 2 209.249 0.752 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO1 ZINC000572660560 323073247 /nfs/dbraw/zinc/07/32/47/323073247.db2.gz KYCJOLJLTPHACE-QMMMGPOBSA-N 1 2 209.249 0.752 20 0 BCADLO CCn1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)n1 ZINC000562997525 323078817 /nfs/dbraw/zinc/07/88/17/323078817.db2.gz OROKLIXFHARAPD-SECBINFHSA-N 1 2 245.348 0.426 20 0 BCADLO Nc1ccoc1C(=O)NCCCn1cc[nH+]c1 ZINC000313145434 323082533 /nfs/dbraw/zinc/08/25/33/323082533.db2.gz SNPWYWBDVRNPRF-UHFFFAOYSA-N 1 2 234.259 0.878 20 0 BCADLO C/C=C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000151989878 323083589 /nfs/dbraw/zinc/08/35/89/323083589.db2.gz TWJNEFOPAURQGB-PQEYKICQSA-N 1 2 236.315 0.660 20 0 BCADLO C/C=C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000151989878 323083590 /nfs/dbraw/zinc/08/35/90/323083590.db2.gz TWJNEFOPAURQGB-PQEYKICQSA-N 1 2 236.315 0.660 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NO[C@H]1CCCCO1 ZINC000493233489 323085669 /nfs/dbraw/zinc/08/56/69/323085669.db2.gz CAOWFLCFXZRXIB-ZWNMCFTASA-N 1 2 237.259 0.997 20 0 BCADLO Cc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)c[nH]1 ZINC000531418957 323089134 /nfs/dbraw/zinc/08/91/34/323089134.db2.gz KUSYJIZYJCOAHU-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO Cc1ncc(C(=O)N2CC(n3cc[nH+]c3)C2)[nH]1 ZINC000531418957 323089135 /nfs/dbraw/zinc/08/91/35/323089135.db2.gz KUSYJIZYJCOAHU-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO CCn1ccc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000563189221 323100659 /nfs/dbraw/zinc/10/06/59/323100659.db2.gz FPMZTAUUSDAGOQ-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1nncn1C1CC1 ZINC000563271349 323107263 /nfs/dbraw/zinc/10/72/63/323107263.db2.gz QLWQXXANQHPSEK-UHFFFAOYSA-N 1 2 246.274 0.907 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1nncn1C1CC1 ZINC000563271349 323107264 /nfs/dbraw/zinc/10/72/64/323107264.db2.gz QLWQXXANQHPSEK-UHFFFAOYSA-N 1 2 246.274 0.907 20 0 BCADLO Cc1cc(CC(=O)N2CC(n3cc[nH+]c3)C2)[nH]n1 ZINC000531502932 323109284 /nfs/dbraw/zinc/10/92/84/323109284.db2.gz KMMYYTSALHBUMN-UHFFFAOYSA-N 1 2 245.286 0.541 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H]1CCCO1 ZINC000531820447 323114634 /nfs/dbraw/zinc/11/46/34/323114634.db2.gz QNEDEJSCQYULGN-SNVBAGLBSA-N 1 2 244.316 0.514 20 0 BCADLO C[C@@H](NC(=O)CCc1ccnn1C)c1[nH]cc[nH+]1 ZINC000563413477 323124905 /nfs/dbraw/zinc/12/49/05/323124905.db2.gz PAOREYVLLXBRAL-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000563508035 323128243 /nfs/dbraw/zinc/12/82/43/323128243.db2.gz IJVWKSCWQKQBKR-GHMZBOCLSA-N 1 2 226.276 0.877 20 0 BCADLO CNC(=O)[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571105382 323135530 /nfs/dbraw/zinc/13/55/30/323135530.db2.gz COONRETTXFPOJN-JTQLQIEISA-N 1 2 234.303 0.666 20 0 BCADLO CC[C@H]([NH2+]C1CN(C(C)=O)C1)c1nccn1C ZINC000571105710 323135688 /nfs/dbraw/zinc/13/56/88/323135688.db2.gz MQBXQSBESYIGLO-NSHDSACASA-N 1 2 236.319 0.692 20 0 BCADLO Cc1nc(N2CCOC[C@H]2C[C@H](C)O)cc[nH+]1 ZINC000248638473 323136243 /nfs/dbraw/zinc/13/62/43/323136243.db2.gz LKBVVOABZYZFSY-GXSJLCMTSA-N 1 2 237.303 0.761 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1nnn(C)n1 ZINC000571288626 323140365 /nfs/dbraw/zinc/14/03/65/323140365.db2.gz DNWBLPZFJZHZTD-RKDXNWHRSA-N 1 2 227.312 0.097 20 0 BCADLO Cn1ccc(C[N@@H+]2CCn3nncc3C2)n1 ZINC000571296540 323140611 /nfs/dbraw/zinc/14/06/11/323140611.db2.gz SEISULCLKJASPL-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1ccc(C[N@H+]2CCn3nncc3C2)n1 ZINC000571296540 323140612 /nfs/dbraw/zinc/14/06/12/323140612.db2.gz SEISULCLKJASPL-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO O=C1C[N@H+](CCCO)Cc2ccccc2N1 ZINC000571414682 323143997 /nfs/dbraw/zinc/14/39/97/323143997.db2.gz WOSRKLVOEMGQMF-UHFFFAOYSA-N 1 2 220.272 0.823 20 0 BCADLO O=C1C[N@@H+](CCCO)Cc2ccccc2N1 ZINC000571414682 323143998 /nfs/dbraw/zinc/14/39/98/323143998.db2.gz WOSRKLVOEMGQMF-UHFFFAOYSA-N 1 2 220.272 0.823 20 0 BCADLO COC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000571461761 323145413 /nfs/dbraw/zinc/14/54/13/323145413.db2.gz SCRCVKSXDWZZQJ-VIFPVBQESA-N 1 2 211.265 0.376 20 0 BCADLO CN(CCO)c1cc(NC2CC2)[nH+]cn1 ZINC000258867241 323146522 /nfs/dbraw/zinc/14/65/22/323146522.db2.gz CPVPNAJJGFOWJL-UHFFFAOYSA-N 1 2 208.265 0.479 20 0 BCADLO CN(CCO)c1cc(NC2CC2)nc[nH+]1 ZINC000258867241 323146523 /nfs/dbraw/zinc/14/65/23/323146523.db2.gz CPVPNAJJGFOWJL-UHFFFAOYSA-N 1 2 208.265 0.479 20 0 BCADLO O=C(Cc1ccccc1O)NCCn1cc[nH+]c1 ZINC000112021507 323164856 /nfs/dbraw/zinc/16/48/56/323164856.db2.gz QCOSSCUHXFHSON-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCCF ZINC000532010063 323166749 /nfs/dbraw/zinc/16/67/49/323166749.db2.gz LMAXGAWDDLZVJW-UHFFFAOYSA-N 1 2 214.244 0.579 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000112683858 323171566 /nfs/dbraw/zinc/17/15/66/323171566.db2.gz FEGNLEVHZJXOMZ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000112683858 323171567 /nfs/dbraw/zinc/17/15/67/323171567.db2.gz FEGNLEVHZJXOMZ-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2cn[nH]c2C)CC1=O ZINC000391585947 323177777 /nfs/dbraw/zinc/17/77/77/323177777.db2.gz AWPJYCDAPFZLQW-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CN1CCC[C@@H]1C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000563855738 323181111 /nfs/dbraw/zinc/18/11/11/323181111.db2.gz UOGOPDGIYACZIM-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CN1CCC[C@@H]1C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000563855738 323181112 /nfs/dbraw/zinc/18/11/12/323181112.db2.gz UOGOPDGIYACZIM-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529973956 323194651 /nfs/dbraw/zinc/19/46/51/323194651.db2.gz GKGOHOPQYRZCQS-GUDRVLHUSA-N 1 2 237.303 0.811 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000536156653 323196249 /nfs/dbraw/zinc/19/62/49/323196249.db2.gz BMDVOSNAKATQTQ-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO Cn1nccc1CNc1[nH+]cnc2c1cnn2C ZINC000042098258 323224183 /nfs/dbraw/zinc/22/41/83/323224183.db2.gz CMMIDRDVUCCGBA-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000527002170 323310854 /nfs/dbraw/zinc/31/08/54/323310854.db2.gz PGEUHCQSEIRCIX-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCNc1cnccn1 ZINC000563975331 323336999 /nfs/dbraw/zinc/33/69/99/323336999.db2.gz GSXUHGWVGCRKFH-UHFFFAOYSA-N 1 2 244.302 0.251 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCCC(=O)OC ZINC000152475548 323339876 /nfs/dbraw/zinc/33/98/76/323339876.db2.gz JDVWCFNDYLJNAR-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCCC(=O)OC ZINC000152475548 323339881 /nfs/dbraw/zinc/33/98/81/323339881.db2.gz JDVWCFNDYLJNAR-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccon1 ZINC000309504414 323419740 /nfs/dbraw/zinc/41/97/40/323419740.db2.gz BOPREEODNBOEBQ-WPRPVWTQSA-N 1 2 223.276 0.946 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000572180665 323560269 /nfs/dbraw/zinc/56/02/69/323560269.db2.gz LXAZZXMSMGBUEI-VXGBXAGGSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)ncn1 ZINC000161812322 323566527 /nfs/dbraw/zinc/56/65/27/323566527.db2.gz SMEYOAYBVBIUHE-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO OC[C@@H]1CN(c2cccc[nH+]2)C[C@H]1CO ZINC000528109410 323765435 /nfs/dbraw/zinc/76/54/35/323765435.db2.gz PPEPHXXKFLYTKO-UWVGGRQHSA-N 1 2 208.261 0.119 20 0 BCADLO C[C@H](NC(=O)NCCCO)c1[nH+]ccn1C ZINC000667257712 487960695 /nfs/dbraw/zinc/96/06/95/487960695.db2.gz SRWPHACYFILEGK-QMMMGPOBSA-N 1 2 226.280 0.163 20 0 BCADLO COCC(=O)N1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528357420 323804153 /nfs/dbraw/zinc/80/41/53/323804153.db2.gz SKRMINJIGVNJHW-XCVCLJGOSA-N 1 2 246.738 0.920 20 0 BCADLO CN1CCC[C@@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000537606491 324085894 /nfs/dbraw/zinc/08/58/94/324085894.db2.gz IOMNJKQFKPWIHD-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CN1CCC[C@@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000537606491 324085899 /nfs/dbraw/zinc/08/58/99/324085899.db2.gz IOMNJKQFKPWIHD-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000514765756 324111843 /nfs/dbraw/zinc/11/18/43/324111843.db2.gz NKLZJSMZBHIWLA-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000514765756 324111844 /nfs/dbraw/zinc/11/18/44/324111844.db2.gz NKLZJSMZBHIWLA-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CCOC(=O)C[N@H+](C)CC(C)(C)CO ZINC000449424812 324140736 /nfs/dbraw/zinc/14/07/36/324140736.db2.gz PGMIPLMRTRCYMA-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000449424812 324140740 /nfs/dbraw/zinc/14/07/40/324140740.db2.gz PGMIPLMRTRCYMA-UHFFFAOYSA-N 1 2 203.282 0.500 20 0 BCADLO COCC[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000517731371 324176185 /nfs/dbraw/zinc/17/61/85/324176185.db2.gz QLJALOPUVOQHBB-VXNVDRBHSA-N 1 2 243.332 0.684 20 0 BCADLO Cc1cc(NC(=O)NCC2COC2)cc[nH+]1 ZINC000529041119 324237454 /nfs/dbraw/zinc/23/74/54/324237454.db2.gz OIVYPTHHEXNVPY-UHFFFAOYSA-N 1 2 221.260 0.580 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000529587571 324353563 /nfs/dbraw/zinc/35/35/63/324353563.db2.gz IVNBFIIADCDDQL-LLVKDONJSA-N 1 2 226.251 0.414 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000529587571 324353566 /nfs/dbraw/zinc/35/35/66/324353566.db2.gz IVNBFIIADCDDQL-LLVKDONJSA-N 1 2 226.251 0.414 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC000529597555 324359163 /nfs/dbraw/zinc/35/91/63/324359163.db2.gz WIDKRDPKOUIMLI-GHMZBOCLSA-N 1 2 226.251 0.412 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000529601951 324361087 /nfs/dbraw/zinc/36/10/87/324361087.db2.gz GNFCAAJEEYVYQM-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CCCOC1 ZINC000529604053 324361541 /nfs/dbraw/zinc/36/15/41/324361541.db2.gz OPEKBXWXZUFFQK-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO CC(C)O[C@@]1(C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529968669 324439928 /nfs/dbraw/zinc/43/99/28/324439928.db2.gz MRLOYONOJLBEMT-PWSUYJOCSA-N 1 2 237.303 0.955 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1nncs1 ZINC000530187736 324518337 /nfs/dbraw/zinc/51/83/37/324518337.db2.gz UMDZPHSRKBZXKO-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000126784824 324717691 /nfs/dbraw/zinc/71/76/91/324717691.db2.gz CDPMQIZNZYNHEH-VIFPVBQESA-N 1 2 233.271 0.807 20 0 BCADLO CC(C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000127834349 324790581 /nfs/dbraw/zinc/79/05/81/324790581.db2.gz PVLIBOZWRWOBGR-UHFFFAOYSA-N 1 2 210.281 0.970 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660381322 487966714 /nfs/dbraw/zinc/96/67/14/487966714.db2.gz MCXLVCFMNXXOKO-SCVCMEIPSA-N 1 2 238.335 0.829 20 0 BCADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1cnn[nH]1 ZINC000660381322 487966718 /nfs/dbraw/zinc/96/67/18/487966718.db2.gz MCXLVCFMNXXOKO-SCVCMEIPSA-N 1 2 238.335 0.829 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cncc(F)c1 ZINC000129629748 324968721 /nfs/dbraw/zinc/96/87/21/324968721.db2.gz YEBKGLVMUCCOOI-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO CCn1cc(C(=O)NCCc2c[nH+]cn2C)cn1 ZINC000542478879 325029649 /nfs/dbraw/zinc/02/96/49/325029649.db2.gz VKZWCDNOFBEYMN-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO Cc1c(C(=O)NCCc2c[nH+]cn2C)cnn1C ZINC000542482428 325030370 /nfs/dbraw/zinc/03/03/70/325030370.db2.gz SANZOOOKZYDVIV-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000542611867 325037168 /nfs/dbraw/zinc/03/71/68/325037168.db2.gz LVISEZYAKNQYQS-SFYZADRCSA-N 1 2 240.307 0.943 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3ccncc32)C1 ZINC000542636529 325038399 /nfs/dbraw/zinc/03/83/99/325038399.db2.gz SHPFSWQLCCGETI-LBPRGKRZSA-N 1 2 247.298 0.301 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3ccncc32)C1 ZINC000542636529 325038402 /nfs/dbraw/zinc/03/84/02/325038402.db2.gz SHPFSWQLCCGETI-LBPRGKRZSA-N 1 2 247.298 0.301 20 0 BCADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncnn1C ZINC000542910191 325061908 /nfs/dbraw/zinc/06/19/08/325061908.db2.gz DQFLJJLUYUQXBM-LBPRGKRZSA-N 1 2 246.314 0.947 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccn[nH]1 ZINC000543405168 325086647 /nfs/dbraw/zinc/08/66/47/325086647.db2.gz XMVMLOHQLKWVCT-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO O=S(=O)(CCCF)N1CC(n2cc[nH+]c2)C1 ZINC000543910554 325122208 /nfs/dbraw/zinc/12/22/08/325122208.db2.gz JTQDXDSTLAEJPX-UHFFFAOYSA-N 1 2 247.295 0.429 20 0 BCADLO CCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000131235758 325128286 /nfs/dbraw/zinc/12/82/86/325128286.db2.gz IHAFSTZCDDFBKU-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)n1 ZINC000544477001 325144627 /nfs/dbraw/zinc/14/46/27/325144627.db2.gz MIMMIKFZKAJKNO-IONNQARKSA-N 1 2 238.291 0.649 20 0 BCADLO C[N@H+](Cc1nnc(C2CC2)o1)C1CC(O)C1 ZINC000544758394 325158102 /nfs/dbraw/zinc/15/81/02/325158102.db2.gz LYOFPLSRDYMONO-UHFFFAOYSA-N 1 2 223.276 0.902 20 0 BCADLO C[N@@H+](Cc1nnc(C2CC2)o1)C1CC(O)C1 ZINC000544758394 325158104 /nfs/dbraw/zinc/15/81/04/325158104.db2.gz LYOFPLSRDYMONO-UHFFFAOYSA-N 1 2 223.276 0.902 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@]2(C)CO)no1 ZINC000544759808 325158432 /nfs/dbraw/zinc/15/84/32/325158432.db2.gz CHQSDADKHAOQMN-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@]2(C)CO)no1 ZINC000544759808 325158434 /nfs/dbraw/zinc/15/84/34/325158434.db2.gz CHQSDADKHAOQMN-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO Cc1ccncc1N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000545243130 325200276 /nfs/dbraw/zinc/20/02/76/325200276.db2.gz GDKOMNIRIWLBKU-GFCCVEGCSA-N 1 2 249.314 0.683 20 0 BCADLO Cc1ccncc1N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000545243130 325200279 /nfs/dbraw/zinc/20/02/79/325200279.db2.gz GDKOMNIRIWLBKU-GFCCVEGCSA-N 1 2 249.314 0.683 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000073515556 325202885 /nfs/dbraw/zinc/20/28/85/325202885.db2.gz VPHBLQYMHOIKJL-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCN1CCCC1=O)C(C)C ZINC000132398417 325213866 /nfs/dbraw/zinc/21/38/66/325213866.db2.gz LOPYIWWRJOZHIA-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000132454021 325217875 /nfs/dbraw/zinc/21/78/75/325217875.db2.gz WPUHYMZKOOSSJY-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000132454021 325217878 /nfs/dbraw/zinc/21/78/78/325217878.db2.gz WPUHYMZKOOSSJY-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO OCCOCCSCCn1cc[nH+]c1 ZINC000545888709 325242492 /nfs/dbraw/zinc/24/24/92/325242492.db2.gz DOCJKBHHSYDNDG-UHFFFAOYSA-N 1 2 216.306 0.625 20 0 BCADLO COCC[N@H+](Cc1nncn1C)C1CC1 ZINC000546030667 325260699 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246.376 0.306 20 0 BCADLO CC[C@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)NC ZINC000568273042 326339344 /nfs/dbraw/zinc/33/93/44/326339344.db2.gz IBQRKXMSKPOYPU-VIFPVBQESA-N 1 2 224.308 0.641 20 0 BCADLO OC[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000568339657 326345300 /nfs/dbraw/zinc/34/53/00/326345300.db2.gz BCYPFAYGXCUGLD-BXKDBHETSA-N 1 2 247.298 0.742 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000568347131 326347153 /nfs/dbraw/zinc/34/71/53/326347153.db2.gz YVSMHHMJNNFTGT-UHFFFAOYSA-N 1 2 226.276 0.469 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000568347131 326347154 /nfs/dbraw/zinc/34/71/54/326347154.db2.gz YVSMHHMJNNFTGT-UHFFFAOYSA-N 1 2 226.276 0.469 20 0 BCADLO COc1ccnc(C[NH2+]CC2=CCCOC2)n1 ZINC000568750417 326375087 /nfs/dbraw/zinc/37/50/87/326375087.db2.gz QOIMIOOWIRLDOX-UHFFFAOYSA-N 1 2 235.287 0.922 20 0 BCADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000568815550 326377972 /nfs/dbraw/zinc/37/79/72/326377972.db2.gz ITHCAOPSGZYANP-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCOC1 ZINC000568953010 326383461 /nfs/dbraw/zinc/38/34/61/326383461.db2.gz GGZVHVKQDDKCRA-SECBINFHSA-N 1 2 223.276 0.258 20 0 BCADLO Cc1cccc(N2CCC[N@H+](CC(=O)[O-])CC2)[nH+]1 ZINC000569129357 326392100 /nfs/dbraw/zinc/39/21/00/326392100.db2.gz ONIQSZNCAOCZJQ-UHFFFAOYSA-N 1 2 249.314 0.987 20 0 BCADLO Cc1cccc(N2CCC[N@@H+](CC(=O)[O-])CC2)[nH+]1 ZINC000569129357 326392101 /nfs/dbraw/zinc/39/21/01/326392101.db2.gz ONIQSZNCAOCZJQ-UHFFFAOYSA-N 1 2 249.314 0.987 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000569245503 326397486 /nfs/dbraw/zinc/39/74/86/326397486.db2.gz QTNXTJSLNMJVHV-NEPJUHHUSA-N 1 2 249.314 0.911 20 0 BCADLO Cc1nc(CN2CCN(c3[nH]cc[nH+]3)CC2)n[nH]1 ZINC000569256294 326398025 /nfs/dbraw/zinc/39/80/25/326398025.db2.gz MNTOFFDINWVEMG-UHFFFAOYSA-N 1 2 247.306 0.158 20 0 BCADLO COC[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572983727 326422968 /nfs/dbraw/zinc/42/29/68/326422968.db2.gz ZLAKYPFPCVPDMO-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO)[C@H]1CCC[C@@H](OC)C1 ZINC000573093797 326429271 /nfs/dbraw/zinc/42/92/71/326429271.db2.gz IMHIJNUGMBHLHH-HBNTYKKESA-N 1 2 245.319 0.315 20 0 BCADLO O=C(NCC1(CO)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682511158 487973028 /nfs/dbraw/zinc/97/30/28/487973028.db2.gz DSTLJNOJXZOPKB-JTQLQIEISA-N 1 2 249.314 0.334 20 0 BCADLO COC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682519622 487974858 /nfs/dbraw/zinc/97/48/58/487974858.db2.gz VPDGIKKOGCWEIS-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1O ZINC000682519853 487975507 /nfs/dbraw/zinc/97/55/07/487975507.db2.gz BKCZZHDXYUKSSO-OUAUKWLOSA-N 1 2 249.314 0.285 20 0 BCADLO C[C@@H](NC(=O)NCC(C)(C)O)c1[nH+]ccn1C ZINC000667255779 487976064 /nfs/dbraw/zinc/97/60/64/487976064.db2.gz XCWLQEUGWXDGED-MRVPVSSYSA-N 1 2 240.307 0.551 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC(O)C1 ZINC000682531208 487977131 /nfs/dbraw/zinc/97/71/31/487977131.db2.gz VILHKBKHFWIKPF-WHXUTIOJSA-N 1 2 249.314 0.427 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(F)C1 ZINC000682529726 487977620 /nfs/dbraw/zinc/97/76/20/487977620.db2.gz FVZBFZOQWAMFII-MRVPVSSYSA-N 1 2 223.251 0.626 20 0 BCADLO O[C@H]1C[N@H+](CC2(O)CCCC2)CC(F)(F)C1 ZINC000682545064 487983480 /nfs/dbraw/zinc/98/34/80/487983480.db2.gz ZRPNOADMOCXBCX-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO O[C@H]1C[N@@H+](CC2(O)CCCC2)CC(F)(F)C1 ZINC000682545064 487983486 /nfs/dbraw/zinc/98/34/86/487983486.db2.gz ZRPNOADMOCXBCX-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO OCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546470 487984872 /nfs/dbraw/zinc/98/48/72/487984872.db2.gz CWLRNTWAOZKKBX-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546470 487984875 /nfs/dbraw/zinc/98/48/75/487984875.db2.gz CWLRNTWAOZKKBX-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO COC[C@@H](C)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682558186 487989215 /nfs/dbraw/zinc/98/92/15/487989215.db2.gz JYULWPOJVQAIMT-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682558186 487989220 /nfs/dbraw/zinc/98/92/20/487989220.db2.gz JYULWPOJVQAIMT-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnns2)C[C@@H]1C ZINC000677177328 487992008 /nfs/dbraw/zinc/99/20/08/487992008.db2.gz MDEGKAOWUWSHGF-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnns2)C[C@@H]1C ZINC000677177328 487992012 /nfs/dbraw/zinc/99/20/12/487992012.db2.gz MDEGKAOWUWSHGF-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC(C)(C)n1nnc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000668604332 487997400 /nfs/dbraw/zinc/99/74/00/487997400.db2.gz NWFDHSKEYNBQFS-UHFFFAOYSA-N 1 2 249.278 0.081 20 0 BCADLO Cn1ccc(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000668605435 487998098 /nfs/dbraw/zinc/99/80/98/487998098.db2.gz OSCJTKYTHOFBEV-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1ccc(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000668605435 487998104 /nfs/dbraw/zinc/99/81/04/487998104.db2.gz OSCJTKYTHOFBEV-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000602916852 488002358 /nfs/dbraw/zinc/00/23/58/488002358.db2.gz WXDUHNCVIYUSMA-LLVKDONJSA-N 1 2 229.299 0.850 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@H](CCF)C1 ZINC000602916852 488002362 /nfs/dbraw/zinc/00/23/62/488002362.db2.gz WXDUHNCVIYUSMA-LLVKDONJSA-N 1 2 229.299 0.850 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602916910 488002411 /nfs/dbraw/zinc/00/24/11/488002411.db2.gz XJQBIYCIOYBJHZ-BFVZDQMLSA-N 1 2 215.318 0.561 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602916910 488002413 /nfs/dbraw/zinc/00/24/13/488002413.db2.gz XJQBIYCIOYBJHZ-BFVZDQMLSA-N 1 2 215.318 0.561 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602916909 488002536 /nfs/dbraw/zinc/00/25/36/488002536.db2.gz XJQBIYCIOYBJHZ-ISTVAULSSA-N 1 2 215.318 0.561 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602916909 488002539 /nfs/dbraw/zinc/00/25/39/488002539.db2.gz XJQBIYCIOYBJHZ-ISTVAULSSA-N 1 2 215.318 0.561 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000682618784 488003018 /nfs/dbraw/zinc/00/30/18/488003018.db2.gz ALBVCHOAIZZQLE-NXEZZACHSA-N 1 2 245.286 0.622 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CCOC1 ZINC000134924763 488005850 /nfs/dbraw/zinc/00/58/50/488005850.db2.gz HVXLAFBHPBBVKQ-LURJTMIESA-N 1 2 210.237 0.268 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CCOC1 ZINC000134924763 488005856 /nfs/dbraw/zinc/00/58/56/488005856.db2.gz HVXLAFBHPBBVKQ-LURJTMIESA-N 1 2 210.237 0.268 20 0 BCADLO CCCN1CCC[N@H+](Cc2cn[nH]c2)CC1=O ZINC000682649864 488007232 /nfs/dbraw/zinc/00/72/32/488007232.db2.gz XRSBHBFEMLXIKP-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CCCN1CCC[N@@H+](Cc2cn[nH]c2)CC1=O ZINC000682649864 488007236 /nfs/dbraw/zinc/00/72/36/488007236.db2.gz XRSBHBFEMLXIKP-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000682688558 488017334 /nfs/dbraw/zinc/01/73/34/488017334.db2.gz YODLKUZZUNMTCK-MNOVXSKESA-N 1 2 237.303 0.645 20 0 BCADLO C=C/C(C)=C\CC(=O)NCC[NH+]1CCOCC1 ZINC000682692267 488018938 /nfs/dbraw/zinc/01/89/38/488018938.db2.gz DFHRCAICVHFCDW-QCDXTXTGSA-N 1 2 238.331 0.957 20 0 BCADLO CC(C)N(CC(N)=O)Cc1c[nH+]c2n1CCC2 ZINC000667478833 488021140 /nfs/dbraw/zinc/02/11/40/488021140.db2.gz PFNHBZVOZIFPFU-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000666494934 488026915 /nfs/dbraw/zinc/02/69/15/488026915.db2.gz ZSCFTDXUWQKWST-GXFFZTMASA-N 1 2 247.298 0.801 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000668635837 488034765 /nfs/dbraw/zinc/03/47/65/488034765.db2.gz PHDIQIASGANHNN-SNVBAGLBSA-N 1 2 224.260 0.412 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCNC1=O ZINC000668637993 488036087 /nfs/dbraw/zinc/03/60/87/488036087.db2.gz XVTBZKNRFKFZME-SECBINFHSA-N 1 2 244.254 0.409 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682776454 488037933 /nfs/dbraw/zinc/03/79/33/488037933.db2.gz NYGKHRKFNTZBCH-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@@H](O)CCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682776454 488037939 /nfs/dbraw/zinc/03/79/39/488037939.db2.gz NYGKHRKFNTZBCH-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000514948015 488048517 /nfs/dbraw/zinc/04/85/17/488048517.db2.gz QWSQDOHNQUOIRK-GFCCVEGCSA-N 1 2 234.303 0.275 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000514948015 488048520 /nfs/dbraw/zinc/04/85/20/488048520.db2.gz QWSQDOHNQUOIRK-GFCCVEGCSA-N 1 2 234.303 0.275 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cnns2)C1 ZINC000401703302 488049317 /nfs/dbraw/zinc/04/93/17/488049317.db2.gz BJMGRSXQYLODDQ-JTQLQIEISA-N 1 2 243.332 0.511 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cnns2)C1 ZINC000401703302 488049320 /nfs/dbraw/zinc/04/93/20/488049320.db2.gz BJMGRSXQYLODDQ-JTQLQIEISA-N 1 2 243.332 0.511 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(C2(O)CC2)CC1 ZINC000652658078 488049180 /nfs/dbraw/zinc/04/91/80/488049180.db2.gz VSHKTEHPEIGBNR-UHFFFAOYSA-N 1 2 249.314 0.647 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667594073 488054805 /nfs/dbraw/zinc/05/48/05/488054805.db2.gz VDHGAAMRKCOFNB-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667594073 488054808 /nfs/dbraw/zinc/05/48/08/488054808.db2.gz VDHGAAMRKCOFNB-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO CC[C@@H](CO)Nc1nc[nH+]c(C)c1OC ZINC000656174514 488059368 /nfs/dbraw/zinc/05/93/68/488059368.db2.gz YPSBQGNRQZIPFR-QMMMGPOBSA-N 1 2 211.265 0.976 20 0 BCADLO Cc1nc(N(C)[C@H]2CCNC2=O)cc[nH+]1 ZINC000677510965 488060852 /nfs/dbraw/zinc/06/08/52/488060852.db2.gz NSGWHFPIEVMPHK-QMMMGPOBSA-N 1 2 206.249 0.110 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cc(C)on2)C1 ZINC000401776732 488065246 /nfs/dbraw/zinc/06/52/46/488065246.db2.gz DSHIPCBJJOWQDY-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000401776732 488065253 /nfs/dbraw/zinc/06/52/53/488065253.db2.gz DSHIPCBJJOWQDY-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2coc(C)n2)C1 ZINC000401789887 488067499 /nfs/dbraw/zinc/06/74/99/488067499.db2.gz MYRPJMFWVORJRN-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000401789887 488067503 /nfs/dbraw/zinc/06/75/03/488067503.db2.gz MYRPJMFWVORJRN-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000401848618 488069961 /nfs/dbraw/zinc/06/99/61/488069961.db2.gz BYZXOQWDVZJWIN-LLVKDONJSA-N 1 2 240.307 0.086 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000401848618 488069966 /nfs/dbraw/zinc/06/99/66/488069966.db2.gz BYZXOQWDVZJWIN-LLVKDONJSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@H](CNC(=O)c1cnco1)Cn1cc[nH+]c1 ZINC000677555878 488072188 /nfs/dbraw/zinc/07/21/88/488072188.db2.gz XGPQJFGAFMNKSA-SECBINFHSA-N 1 2 234.259 0.937 20 0 BCADLO C([NH2+]C1CSC1)c1nc([C@@H]2CCCO2)n[nH]1 ZINC000656268803 488073502 /nfs/dbraw/zinc/07/35/02/488073502.db2.gz GUJPKRQKJTYCRB-QMMMGPOBSA-N 1 2 240.332 0.861 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667652658 488075318 /nfs/dbraw/zinc/07/53/18/488075318.db2.gz GGBSVJOMQFOSRY-VIFPVBQESA-N 1 2 248.286 0.004 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cnn3c2CCC3)C1=O ZINC000667656513 488076585 /nfs/dbraw/zinc/07/65/85/488076585.db2.gz JEYVHGTVOWWREZ-GFCCVEGCSA-N 1 2 248.330 0.492 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cnn3c2CCC3)C1=O ZINC000667656513 488076588 /nfs/dbraw/zinc/07/65/88/488076588.db2.gz JEYVHGTVOWWREZ-GFCCVEGCSA-N 1 2 248.330 0.492 20 0 BCADLO CN(Cc1c[nH+]c2n1CCC2)[C@H]1CCN(C)C1=O ZINC000667656897 488077847 /nfs/dbraw/zinc/07/78/47/488077847.db2.gz VPSMAMSCMOUVJX-NSHDSACASA-N 1 2 248.330 0.492 20 0 BCADLO CC[C@@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOC1 ZINC000682980741 488078424 /nfs/dbraw/zinc/07/84/24/488078424.db2.gz YCZXZBRYAKYLKE-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000682980741 488078430 /nfs/dbraw/zinc/07/84/30/488078430.db2.gz YCZXZBRYAKYLKE-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666716 488080704 /nfs/dbraw/zinc/08/07/04/488080704.db2.gz VZKJBWMOCBNMNL-GFCCVEGCSA-N 1 2 249.314 0.818 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cn[nH]c1 ZINC000682999312 488081450 /nfs/dbraw/zinc/08/14/50/488081450.db2.gz IQLCGMMRURPZIU-QMMMGPOBSA-N 1 2 218.264 0.578 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cn[nH]c1 ZINC000682999312 488081452 /nfs/dbraw/zinc/08/14/52/488081452.db2.gz IQLCGMMRURPZIU-QMMMGPOBSA-N 1 2 218.264 0.578 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCNC1=O ZINC000667679651 488084175 /nfs/dbraw/zinc/08/41/75/488084175.db2.gz KZJUMCYDCIRLCK-ZETCQYMHSA-N 1 2 235.243 0.165 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCCn1cc[nH+]c1 ZINC000677647609 488088074 /nfs/dbraw/zinc/08/80/74/488088074.db2.gz OJRZMBJHMMYAMH-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccn2)CCO1 ZINC000683020567 488096493 /nfs/dbraw/zinc/09/64/93/488096493.db2.gz AREZGULDSPZPFE-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccn2)CCO1 ZINC000683020567 488096498 /nfs/dbraw/zinc/09/64/98/488096498.db2.gz AREZGULDSPZPFE-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CN(Cc1c[nH+]c2n1CCC2)[C@H]1CCNC1=O ZINC000667710969 488097454 /nfs/dbraw/zinc/09/74/54/488097454.db2.gz UCOIRTWYEPZDKU-JTQLQIEISA-N 1 2 234.303 0.150 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1C1CC1 ZINC000677728711 488106135 /nfs/dbraw/zinc/10/61/35/488106135.db2.gz NMDYJYRVKNOSPP-KWQFWETISA-N 1 2 236.319 0.877 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1C1CC1 ZINC000677728711 488106140 /nfs/dbraw/zinc/10/61/40/488106140.db2.gz NMDYJYRVKNOSPP-KWQFWETISA-N 1 2 236.319 0.877 20 0 BCADLO NC(C(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000669508381 488109122 /nfs/dbraw/zinc/10/91/22/488109122.db2.gz PYHHDEOMDTVIKC-QMMMGPOBSA-N 1 2 247.220 0.973 20 0 BCADLO N[C@@H](C(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000669508381 488109124 /nfs/dbraw/zinc/10/91/24/488109124.db2.gz PYHHDEOMDTVIKC-QMMMGPOBSA-N 1 2 247.220 0.973 20 0 BCADLO CNC(=O)CN(C)Cc1cccc2[nH+]ccn21 ZINC000668789001 487536972 /nfs/dbraw/zinc/53/69/72/487536972.db2.gz YEFBSFQVBJLQLU-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO C[C@H](C(=O)N(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000677801542 488124441 /nfs/dbraw/zinc/12/44/41/488124441.db2.gz DLMZXYZNVWRDEL-MRVPVSSYSA-N 1 2 210.281 0.318 20 0 BCADLO CCCNC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000677801464 488124778 /nfs/dbraw/zinc/12/47/78/488124778.db2.gz AXQVBDQGWKRMBU-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO Cc1cc(NC(=O)CN(C)Cc2[nH]cc[nH+]2)on1 ZINC000677801907 488124785 /nfs/dbraw/zinc/12/47/85/488124785.db2.gz LZYKYBIUXGWNEP-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(C)n(CC(=O)NCCn2cc[nH+]c2)n1 ZINC000041979651 488128540 /nfs/dbraw/zinc/12/85/40/488128540.db2.gz GITFKPPZCMIYHA-UHFFFAOYSA-N 1 2 247.302 0.513 20 0 BCADLO O=c1ccccn1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000683223404 488132517 /nfs/dbraw/zinc/13/25/17/488132517.db2.gz WTEHKKFWQHFSSE-UHFFFAOYSA-N 1 2 245.286 0.025 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000683223404 488132512 /nfs/dbraw/zinc/13/25/12/488132512.db2.gz WTEHKKFWQHFSSE-UHFFFAOYSA-N 1 2 245.286 0.025 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCn1cccn1 ZINC000525995533 487538983 /nfs/dbraw/zinc/53/89/83/487538983.db2.gz PGXAEAYFTUBXLR-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCn1cccn1 ZINC000525995533 487538986 /nfs/dbraw/zinc/53/89/86/487538986.db2.gz PGXAEAYFTUBXLR-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO CCc1ncc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668790000 487541462 /nfs/dbraw/zinc/54/14/62/487541462.db2.gz IJHWUYJZXBZHKM-UHFFFAOYSA-N 1 2 244.302 0.715 20 0 BCADLO CCc1ncc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668790000 487541465 /nfs/dbraw/zinc/54/14/65/487541465.db2.gz IJHWUYJZXBZHKM-UHFFFAOYSA-N 1 2 244.302 0.715 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000668790713 487542289 /nfs/dbraw/zinc/54/22/89/487542289.db2.gz RWHRMHPFNMZKIE-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000668790713 487542297 /nfs/dbraw/zinc/54/22/97/487542297.db2.gz RWHRMHPFNMZKIE-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO COCCc1nc(C[N@H+](C)C(C)(C)CO)no1 ZINC000685565318 487547223 /nfs/dbraw/zinc/54/72/23/487547223.db2.gz FLBLXXNZQFWWNP-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO COCCc1nc(C[N@@H+](C)C(C)(C)CO)no1 ZINC000685565318 487547227 /nfs/dbraw/zinc/54/72/27/487547227.db2.gz FLBLXXNZQFWWNP-UHFFFAOYSA-N 1 2 243.307 0.461 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000685566756 487548657 /nfs/dbraw/zinc/54/86/57/487548657.db2.gz HKNHZKIAQWRGPS-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000685566756 487548660 /nfs/dbraw/zinc/54/86/60/487548660.db2.gz HKNHZKIAQWRGPS-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccon1 ZINC000685574151 487554032 /nfs/dbraw/zinc/55/40/32/487554032.db2.gz ZNOVKVAXHLSZHQ-DTORHVGOSA-N 1 2 249.270 0.809 20 0 BCADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccon1 ZINC000685574151 487554037 /nfs/dbraw/zinc/55/40/37/487554037.db2.gz ZNOVKVAXHLSZHQ-DTORHVGOSA-N 1 2 249.270 0.809 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000685461865 487530814 /nfs/dbraw/zinc/53/08/14/487530814.db2.gz WTFGXKHUZRMWLJ-NSHDSACASA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000685461865 487530815 /nfs/dbraw/zinc/53/08/15/487530815.db2.gz WTFGXKHUZRMWLJ-NSHDSACASA-N 1 2 209.293 0.921 20 0 BCADLO NC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662163393 488141114 /nfs/dbraw/zinc/14/11/14/488141114.db2.gz XCXLSTHRJWLKPV-VIFPVBQESA-N 1 2 230.214 0.073 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000673927644 487481365 /nfs/dbraw/zinc/48/13/65/487481365.db2.gz KUKYSAAZVUMJKS-QMMMGPOBSA-N 1 2 222.292 0.509 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927644 487481368 /nfs/dbraw/zinc/48/13/68/487481368.db2.gz KUKYSAAZVUMJKS-QMMMGPOBSA-N 1 2 222.292 0.509 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)no1 ZINC000673927460 487481643 /nfs/dbraw/zinc/48/16/43/487481643.db2.gz GWOWNBQZDVNQOI-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)Cc2cn[nH]c2)no1 ZINC000673927460 487481648 /nfs/dbraw/zinc/48/16/48/487481648.db2.gz GWOWNBQZDVNQOI-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nc[nH]n1 ZINC000673917476 487477788 /nfs/dbraw/zinc/47/77/88/487477788.db2.gz KMNXHAGKEXUAOX-RKDXNWHRSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1nc[nH]n1 ZINC000673917476 487477790 /nfs/dbraw/zinc/47/77/90/487477790.db2.gz KMNXHAGKEXUAOX-RKDXNWHRSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nnc[nH]1 ZINC000673917476 487477794 /nfs/dbraw/zinc/47/77/94/487477794.db2.gz KMNXHAGKEXUAOX-RKDXNWHRSA-N 1 2 237.307 0.466 20 0 BCADLO CCc1cc(N2CC(O)(COC)C2)nc(C)[nH+]1 ZINC000295079327 487480781 /nfs/dbraw/zinc/48/07/81/487480781.db2.gz XODBVOGGXAXJCC-UHFFFAOYSA-N 1 2 237.303 0.545 20 0 BCADLO Cn1ncc(C(=O)NCc2c[nH+]c[nH]2)c1C1CC1 ZINC000673934880 487485296 /nfs/dbraw/zinc/48/52/96/487485296.db2.gz JTKDEKQXIAJBBV-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO Cn1ncc(C(=O)NCc2c[nH]c[nH+]2)c1C1CC1 ZINC000673934880 487485300 /nfs/dbraw/zinc/48/53/00/487485300.db2.gz JTKDEKQXIAJBBV-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CN(CC(=O)Nc1cc[nH+]cc1O)C(=O)C1CC1 ZINC000673936407 487485565 /nfs/dbraw/zinc/48/55/65/487485565.db2.gz ZROUUULEXAIPIA-UHFFFAOYSA-N 1 2 249.270 0.016 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000673940175 487487126 /nfs/dbraw/zinc/48/71/26/487487126.db2.gz SSHAOLKGTYMLSV-NWDGAFQWSA-N 1 2 249.314 0.717 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(C)nc2)C1 ZINC000405629134 487488059 /nfs/dbraw/zinc/48/80/59/487488059.db2.gz LXGDJLSFDWOHSJ-UHFFFAOYSA-N 1 2 222.288 0.583 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1ncnn1CCF ZINC000685037858 487494620 /nfs/dbraw/zinc/49/46/20/487494620.db2.gz MTUJRIMCHZZPMA-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1ncnn1CCF ZINC000685037858 487494625 /nfs/dbraw/zinc/49/46/25/487494625.db2.gz MTUJRIMCHZZPMA-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@H](O)C2)co1 ZINC000399892931 487496077 /nfs/dbraw/zinc/49/60/77/487496077.db2.gz KFLCDUGEKLEIPM-SNVBAGLBSA-N 1 2 212.249 0.176 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@H](O)C2)co1 ZINC000399892931 487496080 /nfs/dbraw/zinc/49/60/80/487496080.db2.gz KFLCDUGEKLEIPM-SNVBAGLBSA-N 1 2 212.249 0.176 20 0 BCADLO NC(=O)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000674064931 487507708 /nfs/dbraw/zinc/50/77/08/487507708.db2.gz DUUMANUGHKUKSV-SECBINFHSA-N 1 2 242.282 0.941 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000680004830 487515680 /nfs/dbraw/zinc/51/56/80/487515680.db2.gz GPHJIWHYVYLDDM-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ncccc1O ZINC000685408153 487516501 /nfs/dbraw/zinc/51/65/01/487516501.db2.gz CPCMJMSMRPACNA-UHFFFAOYSA-N 1 2 223.276 0.307 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ncccc1O ZINC000685408153 487516504 /nfs/dbraw/zinc/51/65/04/487516504.db2.gz CPCMJMSMRPACNA-UHFFFAOYSA-N 1 2 223.276 0.307 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000680007811 487516999 /nfs/dbraw/zinc/51/69/99/487516999.db2.gz RYCWHDSODYTTEM-GHMZBOCLSA-N 1 2 239.319 0.939 20 0 BCADLO CCn1cc(C[NH2+]Cc2cccnc2)nn1 ZINC000404440727 488161145 /nfs/dbraw/zinc/16/11/45/488161145.db2.gz JURXSVDNKQBZLG-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO Cn1cnc(C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000685733905 487575310 /nfs/dbraw/zinc/57/53/10/487575310.db2.gz GLOMNZLEYGTYJI-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cncc2ncnn21 ZINC000685903692 487593339 /nfs/dbraw/zinc/59/33/39/487593339.db2.gz LJYVQJMFIHEUPI-VIFPVBQESA-N 1 2 243.274 0.821 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668164085 487856522 /nfs/dbraw/zinc/85/65/22/487856522.db2.gz NTRUYLZUSRUWEV-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668164085 487856526 /nfs/dbraw/zinc/85/65/26/487856526.db2.gz NTRUYLZUSRUWEV-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO CCc1cc(N2CC(S(C)(=O)=O)C2)nc[nH+]1 ZINC000669825610 487865115 /nfs/dbraw/zinc/86/51/15/487865115.db2.gz HUOPJZDNMVXARC-UHFFFAOYSA-N 1 2 241.316 0.272 20 0 BCADLO C[C@@H](CO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000669970997 487972653 /nfs/dbraw/zinc/97/26/53/487972653.db2.gz DZPUYFYLZNETGW-VIFPVBQESA-N 1 2 233.275 0.479 20 0 BCADLO c1c[nH+]c(CNc2ccc(-n3cncn3)cn2)[nH]1 ZINC000682855313 488054959 /nfs/dbraw/zinc/05/49/59/488054959.db2.gz JIIQEARSYXZSRW-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnco1 ZINC000677515963 488062147 /nfs/dbraw/zinc/06/21/47/488062147.db2.gz AIENMJPVFRERTF-MRVPVSSYSA-N 1 2 220.232 0.690 20 0 BCADLO NC(=O)C1([NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000682997437 488081338 /nfs/dbraw/zinc/08/13/38/488081338.db2.gz PIQITRLEESTFAT-UHFFFAOYSA-N 1 2 248.261 0.581 20 0 BCADLO COC[C@@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674764832 488149747 /nfs/dbraw/zinc/14/97/47/488149747.db2.gz MLQLSGNEMCQZTJ-GFCCVEGCSA-N 1 2 249.270 0.670 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cocn1 ZINC000677921505 488157534 /nfs/dbraw/zinc/15/75/34/488157534.db2.gz BASTXCUHIBOZHN-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cocn1 ZINC000677921505 488157539 /nfs/dbraw/zinc/15/75/39/488157539.db2.gz BASTXCUHIBOZHN-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO COCCOC1C[NH+](CC2=CCCOC2)C1 ZINC000667926399 488160260 /nfs/dbraw/zinc/16/02/60/488160260.db2.gz JZTZEJYGKFNVAG-UHFFFAOYSA-N 1 2 227.304 0.680 20 0 BCADLO CCn1cc(C[NH2+]C[C@H](O)C(F)(F)F)nn1 ZINC000404471135 488165887 /nfs/dbraw/zinc/16/58/87/488165887.db2.gz YZAAUCJFMQIRSI-ZETCQYMHSA-N 1 2 238.213 0.311 20 0 BCADLO CCn1cc(C[NH2+]Cc2nc(C)ccc2O)nn1 ZINC000404510356 488166029 /nfs/dbraw/zinc/16/60/29/488166029.db2.gz QEDOUTGBPWCVOW-UHFFFAOYSA-N 1 2 247.302 0.997 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000134915858 488169135 /nfs/dbraw/zinc/16/91/35/488169135.db2.gz QDEDLOXINRRFBF-OCAPTIKFSA-N 1 2 236.275 0.435 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000134915858 488169139 /nfs/dbraw/zinc/16/91/39/488169139.db2.gz QDEDLOXINRRFBF-OCAPTIKFSA-N 1 2 236.275 0.435 20 0 BCADLO CC(C)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000134963529 488169613 /nfs/dbraw/zinc/16/96/13/488169613.db2.gz GDCZRFAOXWNUFG-SECBINFHSA-N 1 2 235.291 0.792 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCn1ccccc1=O ZINC000683527517 488187980 /nfs/dbraw/zinc/18/79/80/488187980.db2.gz FSCCXDGFGAHDFT-LLVKDONJSA-N 1 2 222.288 0.569 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCn1ccccc1=O ZINC000683527517 488187984 /nfs/dbraw/zinc/18/79/84/488187984.db2.gz FSCCXDGFGAHDFT-LLVKDONJSA-N 1 2 222.288 0.569 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044962 488194108 /nfs/dbraw/zinc/19/41/08/488194108.db2.gz DAGZPFJKEOWAJE-SKDRFNHKSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044962 488194112 /nfs/dbraw/zinc/19/41/12/488194112.db2.gz DAGZPFJKEOWAJE-SKDRFNHKSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044959 488194270 /nfs/dbraw/zinc/19/42/70/488194270.db2.gz DAGZPFJKEOWAJE-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668044959 488194271 /nfs/dbraw/zinc/19/42/71/488194271.db2.gz DAGZPFJKEOWAJE-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000668048351 488195312 /nfs/dbraw/zinc/19/53/12/488195312.db2.gz BWZWHORGPJZZNR-UHFFFAOYSA-N 1 2 222.292 0.137 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000668048351 488195315 /nfs/dbraw/zinc/19/53/15/488195315.db2.gz BWZWHORGPJZZNR-UHFFFAOYSA-N 1 2 222.292 0.137 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000678124502 488195645 /nfs/dbraw/zinc/19/56/45/488195645.db2.gz ZXYXWIDJXMJTBK-SECBINFHSA-N 1 2 208.265 0.250 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000678095342 488196814 /nfs/dbraw/zinc/19/68/14/488196814.db2.gz UKHMZONZTSLWTH-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668089619 488201384 /nfs/dbraw/zinc/20/13/84/488201384.db2.gz YHHQPOZTVPZFPS-MNOVXSKESA-N 1 2 249.314 0.887 20 0 BCADLO Cn1nc(C[N@H+](C)CC(N)=O)c2ccccc21 ZINC000678133254 488202659 /nfs/dbraw/zinc/20/26/59/488202659.db2.gz XHZYURWHRKMYNZ-UHFFFAOYSA-N 1 2 232.287 0.490 20 0 BCADLO Cn1nc(C[N@@H+](C)CC(N)=O)c2ccccc21 ZINC000678133254 488202660 /nfs/dbraw/zinc/20/26/60/488202660.db2.gz XHZYURWHRKMYNZ-UHFFFAOYSA-N 1 2 232.287 0.490 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000677728608 488203680 /nfs/dbraw/zinc/20/36/80/488203680.db2.gz KLOYNZKLELBWJH-SFYZADRCSA-N 1 2 225.248 0.068 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000677728608 488203684 /nfs/dbraw/zinc/20/36/84/488203684.db2.gz KLOYNZKLELBWJH-SFYZADRCSA-N 1 2 225.248 0.068 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)C(N)=O ZINC000683724455 488213542 /nfs/dbraw/zinc/21/35/42/488213542.db2.gz ZDYAOJSQPMCGCG-SNVBAGLBSA-N 1 2 244.298 0.836 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192139 488218216 /nfs/dbraw/zinc/21/82/16/488218216.db2.gz UVHYAJHIWXEWTN-VXGBXAGGSA-N 1 2 249.314 0.818 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NC2CC2)o1 ZINC000231651023 488219341 /nfs/dbraw/zinc/21/93/41/488219341.db2.gz FRQWZVDOGCGBNX-UHFFFAOYSA-N 1 2 209.249 0.351 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000668193633 488219529 /nfs/dbraw/zinc/21/95/29/488219529.db2.gz KKQOWCSQEVIEST-VHSXEESVSA-N 1 2 237.303 0.851 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NC(C)C)o1 ZINC000231653494 488220213 /nfs/dbraw/zinc/22/02/13/488220213.db2.gz SLYXLACYSOUCTQ-UHFFFAOYSA-N 1 2 211.265 0.597 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2CCCCNC2=O)o1 ZINC000231652970 488220232 /nfs/dbraw/zinc/22/02/32/488220232.db2.gz JQSDWOMLRHWJTB-VIFPVBQESA-N 1 2 223.276 0.741 20 0 BCADLO O=C1C[N@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@H]2N1 ZINC000678221153 488220321 /nfs/dbraw/zinc/22/03/21/488220321.db2.gz FABCYHSGDSOXAM-MNOVXSKESA-N 1 2 234.303 0.653 20 0 BCADLO O=C1C[N@@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@H]2N1 ZINC000678221153 488220326 /nfs/dbraw/zinc/22/03/26/488220326.db2.gz FABCYHSGDSOXAM-MNOVXSKESA-N 1 2 234.303 0.653 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2csnn2)C1 ZINC000398677421 488222267 /nfs/dbraw/zinc/22/22/67/488222267.db2.gz VXRQEZIQNVERIP-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2csnn2)C1 ZINC000398677421 488222269 /nfs/dbraw/zinc/22/22/69/488222269.db2.gz VXRQEZIQNVERIP-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO NC(=O)C[N@H+](Cc1cn[nH]c1)Cc1ccccc1 ZINC000678259769 488227322 /nfs/dbraw/zinc/22/73/22/488227322.db2.gz ADCPKCFBOOVNQC-UHFFFAOYSA-N 1 2 244.298 0.897 20 0 BCADLO NC(=O)C[N@@H+](Cc1cn[nH]c1)Cc1ccccc1 ZINC000678259769 488227325 /nfs/dbraw/zinc/22/73/25/488227325.db2.gz ADCPKCFBOOVNQC-UHFFFAOYSA-N 1 2 244.298 0.897 20 0 BCADLO COCCn1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265927 488230400 /nfs/dbraw/zinc/23/04/00/488230400.db2.gz DRLFUCRRAUPQQJ-UHFFFAOYSA-N 1 2 249.318 0.885 20 0 BCADLO COCCn1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265927 488230402 /nfs/dbraw/zinc/23/04/02/488230402.db2.gz DRLFUCRRAUPQQJ-UHFFFAOYSA-N 1 2 249.318 0.885 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000683843910 488230853 /nfs/dbraw/zinc/23/08/53/488230853.db2.gz HOOLLIRVXANQKE-NSHDSACASA-N 1 2 247.298 0.940 20 0 BCADLO O=C(Nc1c[nH]ccc1=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000683843910 488230855 /nfs/dbraw/zinc/23/08/55/488230855.db2.gz HOOLLIRVXANQKE-NSHDSACASA-N 1 2 247.298 0.940 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000678269070 488232231 /nfs/dbraw/zinc/23/22/31/488232231.db2.gz KMQBDXFTAHPUSX-UHFFFAOYSA-N 1 2 248.330 0.820 20 0 BCADLO CCn1cnnc1NC(=O)CCCn1cc[nH+]c1 ZINC000671869190 488232340 /nfs/dbraw/zinc/23/23/40/488232340.db2.gz JMJVPNMUTCMUCL-UHFFFAOYSA-N 1 2 248.290 0.913 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000678286025 488238056 /nfs/dbraw/zinc/23/80/56/488238056.db2.gz VDEWVNYOHQDGOX-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000678286025 488238060 /nfs/dbraw/zinc/23/80/60/488238060.db2.gz VDEWVNYOHQDGOX-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccncc1 ZINC000683894884 488238342 /nfs/dbraw/zinc/23/83/42/488238342.db2.gz QAIHTYJCKYOSNA-UHFFFAOYSA-N 1 2 231.259 0.891 20 0 BCADLO CC(=O)N1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000683896932 488238894 /nfs/dbraw/zinc/23/88/94/488238894.db2.gz DRVWGWPEMYWCFQ-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)on1 ZINC000672144895 488240804 /nfs/dbraw/zinc/24/08/04/488240804.db2.gz LVERZLUJQYROAP-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cn(C)cn1 ZINC000683899525 488241047 /nfs/dbraw/zinc/24/10/47/488241047.db2.gz XBLCOHPCIXHBCC-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cn(C)cn1 ZINC000683899525 488241049 /nfs/dbraw/zinc/24/10/49/488241049.db2.gz XBLCOHPCIXHBCC-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCCN(CC(=O)NC)Cc1cn(C)c[nH+]1 ZINC000683899525 488241052 /nfs/dbraw/zinc/24/10/52/488241052.db2.gz XBLCOHPCIXHBCC-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145643 488241098 /nfs/dbraw/zinc/24/10/98/488241098.db2.gz NPOVZJCFXNMKPC-ADEWGFFLSA-N 1 2 249.314 0.739 20 0 BCADLO COC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672149828 488242070 /nfs/dbraw/zinc/24/20/70/488242070.db2.gz YMPOJGJKCICFPD-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000678337098 488242201 /nfs/dbraw/zinc/24/22/01/488242201.db2.gz BACAMYXVHSMDDG-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000678337098 488242203 /nfs/dbraw/zinc/24/22/03/488242203.db2.gz BACAMYXVHSMDDG-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000672154672 488242402 /nfs/dbraw/zinc/24/24/02/488242402.db2.gz NKDICBVIQYSWOC-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc[nH]1 ZINC000672153506 488242429 /nfs/dbraw/zinc/24/24/29/488242429.db2.gz YXVPUAZLGAJCCK-SECBINFHSA-N 1 2 230.271 0.956 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154502 488242538 /nfs/dbraw/zinc/24/25/38/488242538.db2.gz NRYUGXMGHZODJK-GXSJLCMTSA-N 1 2 237.303 0.331 20 0 BCADLO C[N@H+](Cc1[nH]nc2ccccc21)[C@@H]1CCNC1=O ZINC000678341905 488243299 /nfs/dbraw/zinc/24/32/99/488243299.db2.gz ILWZDTZCBWEOCN-GFCCVEGCSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1[nH]nc2ccccc21)[C@@H]1CCNC1=O ZINC000678341905 488243301 /nfs/dbraw/zinc/24/33/01/488243301.db2.gz ILWZDTZCBWEOCN-GFCCVEGCSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@H+](Cc1n[nH]c2ccccc21)[C@@H]1CCNC1=O ZINC000678341905 488243304 /nfs/dbraw/zinc/24/33/04/488243304.db2.gz ILWZDTZCBWEOCN-GFCCVEGCSA-N 1 2 244.298 0.883 20 0 BCADLO C[N@@H+](Cc1n[nH]c2ccccc21)[C@@H]1CCNC1=O ZINC000678341905 488243307 /nfs/dbraw/zinc/24/33/07/488243307.db2.gz ILWZDTZCBWEOCN-GFCCVEGCSA-N 1 2 244.298 0.883 20 0 BCADLO CCc1nc(N2C[C@H](O)C[C@H](O)C2)cc(C)[nH+]1 ZINC000672229209 488246345 /nfs/dbraw/zinc/24/63/45/488246345.db2.gz GCUQFCFYEZLHRK-AOOOYVTPSA-N 1 2 237.303 0.279 20 0 BCADLO Cc1nc(N2C[C@@H]3COC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000672274892 488249457 /nfs/dbraw/zinc/24/94/57/488249457.db2.gz NWPXRGKRGHGCDO-AOOOYVTPSA-N 1 2 249.318 0.329 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000672274892 488249458 /nfs/dbraw/zinc/24/94/58/488249458.db2.gz NWPXRGKRGHGCDO-AOOOYVTPSA-N 1 2 249.318 0.329 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000678463011 488256869 /nfs/dbraw/zinc/25/68/69/488256869.db2.gz NXCDQAJOBHFLSQ-LPEHRKFASA-N 1 2 226.276 0.472 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000678463011 488256871 /nfs/dbraw/zinc/25/68/71/488256871.db2.gz NXCDQAJOBHFLSQ-LPEHRKFASA-N 1 2 226.276 0.472 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000678463010 488257232 /nfs/dbraw/zinc/25/72/32/488257232.db2.gz NXCDQAJOBHFLSQ-BBBLOLIVSA-N 1 2 226.276 0.472 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000678463010 488257233 /nfs/dbraw/zinc/25/72/33/488257233.db2.gz NXCDQAJOBHFLSQ-BBBLOLIVSA-N 1 2 226.276 0.472 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccc(F)cn1 ZINC000673008413 488271368 /nfs/dbraw/zinc/27/13/68/488271368.db2.gz ALVNWPZKPFDKAE-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO Cc1noc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000684192441 488273841 /nfs/dbraw/zinc/27/38/41/488273841.db2.gz UCEQVIPJBQJSTC-UHFFFAOYSA-N 1 2 236.275 0.298 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CN(CC(F)F)CCN1C ZINC000684218174 488278697 /nfs/dbraw/zinc/27/86/97/488278697.db2.gz VPXLHHBVSUQFBY-VIFPVBQESA-N 1 2 244.289 0.974 20 0 BCADLO CC1(F)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000684248477 488281220 /nfs/dbraw/zinc/28/12/20/488281220.db2.gz FUTLXDUGMCXQAC-UHFFFAOYSA-N 1 2 226.255 0.637 20 0 BCADLO C[C@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000673389577 488283895 /nfs/dbraw/zinc/28/38/95/488283895.db2.gz LNLHUANWQVCVBG-MRVPVSSYSA-N 1 2 249.249 0.750 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nc3c(s2)CCC3)C[C@@H]1O ZINC000678831020 488288797 /nfs/dbraw/zinc/28/87/97/488288797.db2.gz DWHXTFFKDYNYSC-DTORHVGOSA-N 1 2 240.328 0.169 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nc3c(s2)CCC3)C[C@@H]1O ZINC000678831020 488288799 /nfs/dbraw/zinc/28/87/99/488288799.db2.gz DWHXTFFKDYNYSC-DTORHVGOSA-N 1 2 240.328 0.169 20 0 BCADLO CCc1nn(C)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000678843682 488290057 /nfs/dbraw/zinc/29/00/57/488290057.db2.gz MSPKHWNNXMSOBE-LLVKDONJSA-N 1 2 236.319 0.303 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000678843682 488290058 /nfs/dbraw/zinc/29/00/58/488290058.db2.gz MSPKHWNNXMSOBE-LLVKDONJSA-N 1 2 236.319 0.303 20 0 BCADLO O=C(CCC(F)F)NCC[NH+]1CCOCC1 ZINC000684356138 488299437 /nfs/dbraw/zinc/29/94/37/488299437.db2.gz RLAMEZQZMUHWPX-UHFFFAOYSA-N 1 2 236.262 0.480 20 0 BCADLO O=C(CCn1cccc1)NCc1[nH]cc[nH+]1 ZINC000673669385 488302483 /nfs/dbraw/zinc/30/24/83/488302483.db2.gz JEYYMLXBCBQVOU-UHFFFAOYSA-N 1 2 218.260 0.918 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000679122312 488308627 /nfs/dbraw/zinc/30/86/27/488308627.db2.gz SIJQQSZSVRRUGX-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000684411938 488309272 /nfs/dbraw/zinc/30/92/72/488309272.db2.gz DTLJKVJIQHKRBJ-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000684411938 488309273 /nfs/dbraw/zinc/30/92/73/488309273.db2.gz DTLJKVJIQHKRBJ-JQWIXIFHSA-N 1 2 237.303 0.790 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1c[nH]ccc1=O ZINC000684427943 488311903 /nfs/dbraw/zinc/31/19/03/488311903.db2.gz YSHRXKWVHQMBSY-UHFFFAOYSA-N 1 2 246.270 0.680 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000684457398 488315682 /nfs/dbraw/zinc/31/56/82/488315682.db2.gz WGCZUYIPGISJNQ-LLVKDONJSA-N 1 2 237.303 0.572 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000684457398 488315683 /nfs/dbraw/zinc/31/56/83/488315683.db2.gz WGCZUYIPGISJNQ-LLVKDONJSA-N 1 2 237.303 0.572 20 0 BCADLO CC1(F)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684497600 488322671 /nfs/dbraw/zinc/32/26/71/488322671.db2.gz YRIMVVVALOJMRQ-UHFFFAOYSA-N 1 2 211.240 0.913 20 0 BCADLO CC1(F)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684497600 488322673 /nfs/dbraw/zinc/32/26/73/488322673.db2.gz YRIMVVVALOJMRQ-UHFFFAOYSA-N 1 2 211.240 0.913 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N1CC=CCC1 ZINC000679271420 488327547 /nfs/dbraw/zinc/32/75/47/488327547.db2.gz BUPMHGWOJWFVEH-UHFFFAOYSA-N 1 2 239.319 0.290 20 0 BCADLO CCCNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000684616860 488332758 /nfs/dbraw/zinc/33/27/58/488332758.db2.gz YDQBNGJRFHDACK-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCCNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000684616860 488332760 /nfs/dbraw/zinc/33/27/60/488332760.db2.gz YDQBNGJRFHDACK-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO Cc1nc([C@H]2COCCN2Cc2c[nH+]c[nH]2)no1 ZINC000684619885 488334216 /nfs/dbraw/zinc/33/42/16/488334216.db2.gz UFNFOASCVGBPFE-SNVBAGLBSA-N 1 2 249.274 0.675 20 0 BCADLO Cc1nc([C@H]2COCCN2Cc2c[nH]c[nH+]2)no1 ZINC000684619885 488334218 /nfs/dbraw/zinc/33/42/18/488334218.db2.gz UFNFOASCVGBPFE-SNVBAGLBSA-N 1 2 249.274 0.675 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc2n1CCOC2 ZINC000684771223 488341237 /nfs/dbraw/zinc/34/12/37/488341237.db2.gz MACCNPSQTNLHCN-RKDXNWHRSA-N 1 2 222.292 0.791 20 0 BCADLO CN(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000684829146 488347182 /nfs/dbraw/zinc/34/71/82/488347182.db2.gz FCCVCDRHXATPIU-SECBINFHSA-N 1 2 210.281 0.111 20 0 BCADLO Cn1c[nH+]c(CN(CCO)Cc2cccnc2)c1 ZINC000684836335 488347691 /nfs/dbraw/zinc/34/76/91/488347691.db2.gz UYVFEEYOLMRAGU-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO CCc1noc(C[NH2+][C@](C)(CCO)COC)n1 ZINC000079920768 490058770 /nfs/dbraw/zinc/05/87/70/490058770.db2.gz MVRHFYGCZFGBHU-LLVKDONJSA-N 1 2 243.307 0.509 20 0 BCADLO Cc1nc(NC[C@H](O)[C@H]2CCCO2)cc[nH+]1 ZINC000528140628 490102359 /nfs/dbraw/zinc/10/23/59/490102359.db2.gz UCHRHYXPDPXCOI-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO C[C@H]1C[NH+](CCc2cnn[nH]2)C[C@H](C)C1O ZINC000661621787 490100596 /nfs/dbraw/zinc/10/05/96/490100596.db2.gz PGMQIXNLFPPUON-IUCAKERBSA-N 1 2 224.308 0.296 20 0 BCADLO Cn1ccc(CNC(=O)NCc2c[nH+]cn2C)c1 ZINC000290807265 490104655 /nfs/dbraw/zinc/10/46/55/490104655.db2.gz VKEBPQPESNRZBB-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)CC2(CCCCC2)O1 ZINC000653908257 490157044 /nfs/dbraw/zinc/15/70/44/490157044.db2.gz IWZGMJDAQDLGQJ-SNVBAGLBSA-N 1 2 226.320 0.895 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)CC2(CCCCC2)O1 ZINC000653908257 490157047 /nfs/dbraw/zinc/15/70/47/490157047.db2.gz IWZGMJDAQDLGQJ-SNVBAGLBSA-N 1 2 226.320 0.895 20 0 BCADLO CCN1CC[C@H](Nc2cc[nH+]c(C)n2)C1=O ZINC000309440047 490162355 /nfs/dbraw/zinc/16/23/55/490162355.db2.gz IHQVFLXUMYNOCB-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO Cc1nccnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666451396 490214654 /nfs/dbraw/zinc/21/46/54/490214654.db2.gz XNBKZTGVQBAMPM-VIFPVBQESA-N 1 2 245.286 0.800 20 0 BCADLO Cc1cc(NCC2=CCCOC2)nc[nH+]1 ZINC000336727496 490284721 /nfs/dbraw/zinc/28/47/21/490284721.db2.gz HFJFGUYRATUWNT-UHFFFAOYSA-N 1 2 205.261 1.544 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)CO ZINC000124286182 490342780 /nfs/dbraw/zinc/34/27/80/490342780.db2.gz HBNGKXDWWHZPRZ-UHFFFAOYSA-N 1 2 235.291 0.794 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCO1 ZINC000092617593 490359282 /nfs/dbraw/zinc/35/92/82/490359282.db2.gz UOGGGFBWULJJEU-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCO1 ZINC000092617593 490359286 /nfs/dbraw/zinc/35/92/86/490359286.db2.gz UOGGGFBWULJJEU-SSDOTTSWSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H](NCc1ncc[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000124860994 490406095 /nfs/dbraw/zinc/40/60/95/490406095.db2.gz WFCPUAWFXHVWKP-ZJUUUORDSA-N 1 2 224.308 0.218 20 0 BCADLO C[C@@H](NCc1ncc[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124860994 490406100 /nfs/dbraw/zinc/40/61/00/490406100.db2.gz WFCPUAWFXHVWKP-ZJUUUORDSA-N 1 2 224.308 0.218 20 0 BCADLO CCc1cc(N[C@H](CO)CCOC)nc[nH+]1 ZINC000300917510 490572777 /nfs/dbraw/zinc/57/27/77/490572777.db2.gz SSLSACUSPZZRFA-JTQLQIEISA-N 1 2 225.292 0.848 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000643354319 490590573 /nfs/dbraw/zinc/59/05/73/490590573.db2.gz XQOQARWPYOIBDM-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000643354319 490590579 /nfs/dbraw/zinc/59/05/79/490590579.db2.gz XQOQARWPYOIBDM-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@@H](C)O1 ZINC000062339206 491083611 /nfs/dbraw/zinc/08/36/11/491083611.db2.gz YIZSLTNSQFBUHH-HTQZYQBOSA-N 1 2 237.307 0.250 20 0 BCADLO C[C@@H](O)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228128877 491090923 /nfs/dbraw/zinc/09/09/23/491090923.db2.gz YGBRTEYUBDBOGP-HTQZYQBOSA-N 1 2 235.291 0.935 20 0 BCADLO CCc1cc(NCCS(=O)(=O)NC)nc[nH+]1 ZINC000221042669 491092957 /nfs/dbraw/zinc/09/29/57/491092957.db2.gz YHIMFKUHRNYHEL-UHFFFAOYSA-N 1 2 244.320 0.000 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000085787128 491097457 /nfs/dbraw/zinc/09/74/57/491097457.db2.gz HQXLUBXNDCRZFV-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000085787128 491097458 /nfs/dbraw/zinc/09/74/58/491097458.db2.gz HQXLUBXNDCRZFV-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000088759160 491108505 /nfs/dbraw/zinc/10/85/05/491108505.db2.gz MCMALYSEHVLDMM-MRVPVSSYSA-N 1 2 248.286 0.037 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000088759160 491108506 /nfs/dbraw/zinc/10/85/06/491108506.db2.gz MCMALYSEHVLDMM-MRVPVSSYSA-N 1 2 248.286 0.037 20 0 BCADLO Cc1nc(NCCCn2cncn2)cc[nH+]1 ZINC000381356525 491108613 /nfs/dbraw/zinc/10/86/13/491108613.db2.gz DHDZGESKAXIQGL-UHFFFAOYSA-N 1 2 218.264 0.879 20 0 BCADLO OCc1cc[nH+]c(N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000085540954 491123337 /nfs/dbraw/zinc/12/33/37/491123337.db2.gz JAXNYYZMGYVNQI-PHIMTYICSA-N 1 2 220.272 0.942 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617744579 491123926 /nfs/dbraw/zinc/12/39/26/491123926.db2.gz YOYNHDKCAQOITD-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617744579 491123927 /nfs/dbraw/zinc/12/39/27/491123927.db2.gz YOYNHDKCAQOITD-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO COCCOC1CN(c2nc(C)[nH+]cc2C)C1 ZINC000584242122 491124744 /nfs/dbraw/zinc/12/47/44/491124744.db2.gz HNPRFNDNKQAOTN-UHFFFAOYSA-N 1 2 237.303 0.945 20 0 BCADLO C[C@H](O)CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000655371809 491124971 /nfs/dbraw/zinc/12/49/71/491124971.db2.gz CVVHOXZJJBSXSA-VIFPVBQESA-N 1 2 237.303 0.714 20 0 BCADLO CCc1cc(N[C@H]2CC(=O)N(C)C2=O)nc[nH+]1 ZINC000088779095 491127068 /nfs/dbraw/zinc/12/70/68/491127068.db2.gz FCGVVANMLRLPAI-QMMMGPOBSA-N 1 2 234.259 0.208 20 0 BCADLO CCc1noc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1 ZINC000081607086 491135653 /nfs/dbraw/zinc/13/56/53/491135653.db2.gz YCFLGTIUHSPBPL-SECBINFHSA-N 1 2 240.307 0.622 20 0 BCADLO Cn1ncc(C(=O)NCCCn2cc[nH+]c2)c1N ZINC000082698398 491153203 /nfs/dbraw/zinc/15/32/03/491153203.db2.gz DGTDLRNDFHRAHA-UHFFFAOYSA-N 1 2 248.290 0.019 20 0 BCADLO CSCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000890874446 582585360 /nfs/dbraw/zinc/58/53/60/582585360.db2.gz DOEHORVABKHLKZ-VIFPVBQESA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000890874446 582585362 /nfs/dbraw/zinc/58/53/62/582585362.db2.gz DOEHORVABKHLKZ-VIFPVBQESA-N 1 2 246.376 0.575 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460640 582592990 /nfs/dbraw/zinc/59/29/90/582592990.db2.gz GQLZYGBDLDQPFT-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460640 582592994 /nfs/dbraw/zinc/59/29/94/582592994.db2.gz GQLZYGBDLDQPFT-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC/C=C/Cl ZINC000891203832 582629886 /nfs/dbraw/zinc/62/98/86/582629886.db2.gz AUXBZHPERHWUDG-NSCUHMNNSA-N 1 2 213.668 0.831 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC/C=C\Cl ZINC000891203831 582630032 /nfs/dbraw/zinc/63/00/32/582630032.db2.gz AUXBZHPERHWUDG-IHWYPQMZSA-N 1 2 213.668 0.831 20 0 BCADLO C[C@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904784 533965795 /nfs/dbraw/zinc/96/57/95/533965795.db2.gz XUCVZMZCBVAKGL-PKRMOACSSA-N 1 2 223.276 0.558 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)CCS1 ZINC000494152514 534045990 /nfs/dbraw/zinc/04/59/90/534045990.db2.gz KJJCYJSQGYXWFE-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)CCS1 ZINC000494152514 534045996 /nfs/dbraw/zinc/04/59/96/534045996.db2.gz KJJCYJSQGYXWFE-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)OC1CCC1 ZINC000496529419 534064176 /nfs/dbraw/zinc/06/41/76/534064176.db2.gz ONKABUJBHPZDNA-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495291981 534228133 /nfs/dbraw/zinc/22/81/33/534228133.db2.gz OKGVOXMDQLOIOJ-MRVPVSSYSA-N 1 2 242.275 0.122 20 0 BCADLO CCn1cc(CC[N@H+](C)Cc2nnnn2C)cn1 ZINC000348279832 536038866 /nfs/dbraw/zinc/03/88/66/536038866.db2.gz YNZOFBVBPIILKY-UHFFFAOYSA-N 1 2 249.322 0.101 20 0 BCADLO CCn1cc(CC[N@@H+](C)Cc2nnnn2C)cn1 ZINC000348279832 536038875 /nfs/dbraw/zinc/03/88/75/536038875.db2.gz YNZOFBVBPIILKY-UHFFFAOYSA-N 1 2 249.322 0.101 20 0 BCADLO C[C@@]1(C(N)=O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493447463 534265039 /nfs/dbraw/zinc/26/50/39/534265039.db2.gz DTKBDSRZIGBYMF-QAVQXKDTSA-N 1 2 248.286 0.147 20 0 BCADLO COC(=O)[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492772528 534269202 /nfs/dbraw/zinc/26/92/02/534269202.db2.gz SVRYPPYBIGPUKO-ZWNMCFTASA-N 1 2 249.270 0.491 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC(=O)N1C ZINC000493073446 534275777 /nfs/dbraw/zinc/27/57/77/534275777.db2.gz SMIKVXXFTCANTA-CDAZIORVSA-N 1 2 248.286 0.112 20 0 BCADLO Cc1nnc(CCNC(=O)C=Cc2[nH]cc[nH+]2)[nH]1 ZINC000493713211 534331862 /nfs/dbraw/zinc/33/18/62/534331862.db2.gz XQQYWCFZRRFOPX-IHWYPQMZSA-N 1 2 246.274 0.208 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348211376 534393722 /nfs/dbraw/zinc/39/37/22/534393722.db2.gz PFCFVXKYUMYAPV-INIZCTEOSA-N 1 2 246.376 0.356 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348211376 534393727 /nfs/dbraw/zinc/39/37/27/534393727.db2.gz PFCFVXKYUMYAPV-INIZCTEOSA-N 1 2 246.376 0.356 20 0 BCADLO Cc1noc(C[NH+]2CCC(C)(CO)CC2)n1 ZINC000401759777 534407651 /nfs/dbraw/zinc/40/76/51/534407651.db2.gz UIFDKVMVHKCKKD-UHFFFAOYSA-N 1 2 225.292 0.972 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000172190426 534474626 /nfs/dbraw/zinc/47/46/26/534474626.db2.gz IVHQJUONSYHRHU-GFCCVEGCSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000172190426 534474633 /nfs/dbraw/zinc/47/46/33/534474633.db2.gz IVHQJUONSYHRHU-GFCCVEGCSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)CCn1cc[nH+]c1 ZINC000889349024 582857998 /nfs/dbraw/zinc/85/79/98/582857998.db2.gz IFLDOCGXVKFQSK-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO Cn1cccc(NC(=O)/C=C\c2c[nH+]c[nH]2)c1=O ZINC000492758429 534779242 /nfs/dbraw/zinc/77/92/42/534779242.db2.gz ALAGNZUQDKLOGA-PLNGDYQASA-N 1 2 244.254 0.760 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(=O)CC1 ZINC000493009429 534800898 /nfs/dbraw/zinc/80/08/98/534800898.db2.gz VXMUWKIIBJUMQJ-UPHRSURJSA-N 1 2 219.244 0.614 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)CC(F)F ZINC000492856941 534800915 /nfs/dbraw/zinc/80/09/15/534800915.db2.gz CUTRFSZRNIYTLX-UPHRSURJSA-N 1 2 245.229 0.509 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]1O ZINC000493167731 534803133 /nfs/dbraw/zinc/80/31/33/534803133.db2.gz ASVKLXWSYAVAKK-KMYSRNIVSA-N 1 2 207.233 0.062 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC[C@@H]1CCOC1 ZINC000492871295 534803459 /nfs/dbraw/zinc/80/34/59/534803459.db2.gz XGEOHIVMYPWVDM-JKERVTFKSA-N 1 2 237.259 0.507 20 0 BCADLO O=C1OCC[C@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000496135423 534815703 /nfs/dbraw/zinc/81/57/03/534815703.db2.gz WAVWNIZECXSFTK-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCC[C@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000496135423 534815708 /nfs/dbraw/zinc/81/57/08/534815708.db2.gz WAVWNIZECXSFTK-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO CC(=O)c1ccc(C(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000170257550 534829547 /nfs/dbraw/zinc/82/95/47/534829547.db2.gz KHYYYIAGCWXNCC-UHFFFAOYSA-N 1 2 235.287 0.605 20 0 BCADLO CC(C)c1nc(N2CC[C@@H](NC(N)=O)C2)cc[nH+]1 ZINC000342801348 534910409 /nfs/dbraw/zinc/91/04/09/534910409.db2.gz XVBDAQDWMJMVIF-SECBINFHSA-N 1 2 249.318 0.847 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493090655 526448095 /nfs/dbraw/zinc/44/80/95/526448095.db2.gz XRQNHBGBALJIJW-MPJRPATESA-N 1 2 221.260 0.907 20 0 BCADLO COC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000261064501 536454385 /nfs/dbraw/zinc/45/43/85/536454385.db2.gz NOWILNVNKAZLFI-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000261064501 536454389 /nfs/dbraw/zinc/45/43/89/536454389.db2.gz NOWILNVNKAZLFI-UHFFFAOYSA-N 1 2 228.292 0.102 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858697 526696378 /nfs/dbraw/zinc/69/63/78/526696378.db2.gz FVQCFAYKZBDCAX-LWTINBJPSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493253931 526697043 /nfs/dbraw/zinc/69/70/43/526697043.db2.gz BUISTPTYTGTXJW-MOVJSRMASA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000493396119 527092102 /nfs/dbraw/zinc/09/21/02/527092102.db2.gz VVSRLSSYQMGJQU-ARJAWSKDSA-N 1 2 236.275 0.051 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351949719 536525815 /nfs/dbraw/zinc/52/58/15/536525815.db2.gz AAFMZOZLNDKKNV-IWSPIJDZSA-N 1 2 241.291 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351949719 536525823 /nfs/dbraw/zinc/52/58/23/536525823.db2.gz AAFMZOZLNDKKNV-IWSPIJDZSA-N 1 2 241.291 0.590 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493819585 527958183 /nfs/dbraw/zinc/95/81/83/527958183.db2.gz JZSFGBNZVRPVAM-ZYOFXKKJSA-N 1 2 237.303 0.946 20 0 BCADLO CCNC(=O)[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493485691 528189667 /nfs/dbraw/zinc/18/96/67/528189667.db2.gz KRCGRVXJCMTNHH-WTSVBCDHSA-N 1 2 236.275 0.064 20 0 BCADLO CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000479415348 528216042 /nfs/dbraw/zinc/21/60/42/528216042.db2.gz SWQMOJNUHOWHLB-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000479415348 528216046 /nfs/dbraw/zinc/21/60/46/528216046.db2.gz SWQMOJNUHOWHLB-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861866 528339078 /nfs/dbraw/zinc/33/90/78/528339078.db2.gz JZXHDJUZBORICB-BYCRGOAPSA-N 1 2 237.303 0.946 20 0 BCADLO CCO/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000493429613 528470252 /nfs/dbraw/zinc/47/02/52/528470252.db2.gz HUWHRXAPURSWKI-ZZXKWVIFSA-N 1 2 221.260 0.776 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791388 528470629 /nfs/dbraw/zinc/47/06/29/528470629.db2.gz AQMRQGXYGGNSQJ-UMBAGQNISA-N 1 2 237.303 0.804 20 0 BCADLO CCOC(=O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495291049 528807915 /nfs/dbraw/zinc/80/79/15/528807915.db2.gz DLDJRDRLVPNEMR-UHFFFAOYSA-N 1 2 242.275 0.124 20 0 BCADLO CCOC(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493429481 528810959 /nfs/dbraw/zinc/81/09/59/528810959.db2.gz IODQPAJSJUSUHP-ONEGZZNKSA-N 1 2 223.232 0.102 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)CO ZINC000493826479 528911080 /nfs/dbraw/zinc/91/10/80/528911080.db2.gz RFTDRASIZNODCV-WBSSQXGSSA-N 1 2 223.276 0.652 20 0 BCADLO CCC[C@@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493767306 529027699 /nfs/dbraw/zinc/02/76/99/529027699.db2.gz AXLIFCBRKPRPEQ-XNPJLODASA-N 1 2 223.276 0.700 20 0 BCADLO CCC[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774512 529027944 /nfs/dbraw/zinc/02/79/44/529027944.db2.gz WTQDZZKLJCSGAZ-UMCURTJPSA-N 1 2 223.276 0.700 20 0 BCADLO CCOC(=O)NCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000495756973 529044662 /nfs/dbraw/zinc/04/46/62/529044662.db2.gz XUTZDSLVCKPQMR-SSDOTTSWSA-N 1 2 240.263 0.333 20 0 BCADLO CCN1CC[N@H+](CCCNC(C)=O)[C@H](C)C1=O ZINC000495206607 529144781 /nfs/dbraw/zinc/14/47/81/529144781.db2.gz WOQGWDQVIGMUCD-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN1CC[N@@H+](CCCNC(C)=O)[C@H](C)C1=O ZINC000495206607 529144782 /nfs/dbraw/zinc/14/47/82/529144782.db2.gz WOQGWDQVIGMUCD-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCN1CCN(c2cc(C)[nH+]cn2)[C@@H](C)C1=O ZINC000491237030 529152596 /nfs/dbraw/zinc/15/25/96/529152596.db2.gz QAFGGUMXAWUHDG-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO CC[C@](C)([NH2+]C[C@H]1CN(C)C(=O)O1)C(=O)OC ZINC000496728652 529371410 /nfs/dbraw/zinc/37/14/10/529371410.db2.gz VZLDSQVGFBPCJR-KWQFWETISA-N 1 2 244.291 0.368 20 0 BCADLO CC(C)(CF)NC(=O)NCC[NH+]1CCOCC1 ZINC000349042032 535059190 /nfs/dbraw/zinc/05/91/90/535059190.db2.gz CAFZOBYTIQDGIO-UHFFFAOYSA-N 1 2 247.314 0.366 20 0 BCADLO CCC1(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000335681256 535233710 /nfs/dbraw/zinc/23/37/10/535233710.db2.gz SBBLBPPCKCVHNT-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000347748758 535292028 /nfs/dbraw/zinc/29/20/28/535292028.db2.gz FOSTWGSHWCKFKP-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000347748758 535292034 /nfs/dbraw/zinc/29/20/34/535292034.db2.gz FOSTWGSHWCKFKP-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)C[C@@H](C)O ZINC000352228950 535391110 /nfs/dbraw/zinc/39/11/10/535391110.db2.gz BNONCEJDJPPRSS-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)C[C@@H](C)O ZINC000352228950 535391116 /nfs/dbraw/zinc/39/11/16/535391116.db2.gz BNONCEJDJPPRSS-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C[C@H](C)O ZINC000352228951 535391174 /nfs/dbraw/zinc/39/11/74/535391174.db2.gz BNONCEJDJPPRSS-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)C[C@H](C)O ZINC000352228951 535391176 /nfs/dbraw/zinc/39/11/76/535391176.db2.gz BNONCEJDJPPRSS-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1oncc1C(=O)OC)C[C@H](C)O ZINC000352222703 535400525 /nfs/dbraw/zinc/40/05/25/535400525.db2.gz SECFODZJADPHTN-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO CC[N@H+](Cc1oncc1C(=O)OC)C[C@H](C)O ZINC000352222703 535400528 /nfs/dbraw/zinc/40/05/28/535400528.db2.gz SECFODZJADPHTN-QMMMGPOBSA-N 1 2 242.275 0.664 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249293906 535460581 /nfs/dbraw/zinc/46/05/81/535460581.db2.gz APKHFPIUQUMNLD-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249293906 535460583 /nfs/dbraw/zinc/46/05/83/535460583.db2.gz APKHFPIUQUMNLD-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)[C@H]1OC ZINC000252777929 535506911 /nfs/dbraw/zinc/50/69/11/535506911.db2.gz LBYLBXDSQLSGJH-HBNTYKKESA-N 1 2 225.292 0.692 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377238 535577242 /nfs/dbraw/zinc/57/72/42/535577242.db2.gz AKSZMBHAAZDDMQ-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO CCOC(=O)COCC[N@H+](C)Cc1ccon1 ZINC000351515676 535685327 /nfs/dbraw/zinc/68/53/27/535685327.db2.gz SVYDURWABVJPLF-UHFFFAOYSA-N 1 2 242.275 0.686 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)Cc1ccon1 ZINC000351515676 535685331 /nfs/dbraw/zinc/68/53/31/535685331.db2.gz SVYDURWABVJPLF-UHFFFAOYSA-N 1 2 242.275 0.686 20 0 BCADLO CC[NH+]1CCN(C[C@@H](O)C(C)C)CC1 ZINC000087537599 535707975 /nfs/dbraw/zinc/70/79/75/535707975.db2.gz HJMAZSNGPULBDW-LLVKDONJSA-N 1 2 200.326 0.641 20 0 BCADLO CCO[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335322563 535730397 /nfs/dbraw/zinc/73/03/97/535730397.db2.gz WRRHWGSNYNFFRQ-VIFPVBQESA-N 1 2 223.276 0.650 20 0 BCADLO CC[C@](COC)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000079715603 535870682 /nfs/dbraw/zinc/87/06/82/535870682.db2.gz AYTIDUTZKXCCJS-CMPLNLGQSA-N 1 2 245.319 0.723 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(=O)OC ZINC000168367977 535932973 /nfs/dbraw/zinc/93/29/73/535932973.db2.gz ZZMMAFMRCCNWJD-BDAKNGLRSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)C(=O)OC ZINC000348190082 535946590 /nfs/dbraw/zinc/94/65/90/535946590.db2.gz YANLCKWMBLKZQD-GUBZILKMSA-N 1 2 242.319 0.442 20 0 BCADLO CCn1cc(CC[N@H+](C)Cc2nncn2C)cn1 ZINC000347694154 536040078 /nfs/dbraw/zinc/04/00/78/536040078.db2.gz ZRFZAYDPLWSHPE-UHFFFAOYSA-N 1 2 248.334 0.706 20 0 BCADLO CCn1cc(CC[N@@H+](C)Cc2nncn2C)cn1 ZINC000347694154 536040083 /nfs/dbraw/zinc/04/00/83/536040083.db2.gz ZRFZAYDPLWSHPE-UHFFFAOYSA-N 1 2 248.334 0.706 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)[nH]1 ZINC000367093148 536133449 /nfs/dbraw/zinc/13/34/49/536133449.db2.gz JHSUITCBJXGETN-VHSXEESVSA-N 1 2 236.319 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H]3COC[C@H]32)[nH]1 ZINC000367093148 536133453 /nfs/dbraw/zinc/13/34/53/536133453.db2.gz JHSUITCBJXGETN-VHSXEESVSA-N 1 2 236.319 0.978 20 0 BCADLO CCc1ccc(C[N@H+](CC)CC(N)=O)cn1 ZINC000348427343 536173186 /nfs/dbraw/zinc/17/31/86/536173186.db2.gz WHAYQTYWYPSWFR-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO CCc1ccc(C[N@@H+](CC)CC(N)=O)cn1 ZINC000348427343 536173190 /nfs/dbraw/zinc/17/31/90/536173190.db2.gz WHAYQTYWYPSWFR-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1ncc(C)o1)C(C)C ZINC000183664828 536354117 /nfs/dbraw/zinc/35/41/17/536354117.db2.gz MFESJTDAQQIJTM-JTQLQIEISA-N 1 2 225.292 0.843 20 0 BCADLO CNC(=O)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000273212532 536368548 /nfs/dbraw/zinc/36/85/48/536368548.db2.gz PODRHHZMYIUFNH-VIFPVBQESA-N 1 2 221.260 0.033 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CCC2)C1 ZINC000225826297 536408427 /nfs/dbraw/zinc/40/84/27/536408427.db2.gz DLWLEZIQWZOKCO-NSHDSACASA-N 1 2 240.351 0.084 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CCC2)C1 ZINC000225826297 536408429 /nfs/dbraw/zinc/40/84/29/536408429.db2.gz DLWLEZIQWZOKCO-NSHDSACASA-N 1 2 240.351 0.084 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CF)CCC2)C1 ZINC000335552118 536433331 /nfs/dbraw/zinc/43/33/31/536433331.db2.gz BAOCJDVSLGBJEI-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CF)CCC2)C1 ZINC000335552118 536433332 /nfs/dbraw/zinc/43/33/32/536433332.db2.gz BAOCJDVSLGBJEI-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[N@H+](Cc1csnn1)[C@H]1CCC[C@@H]1O ZINC000348555506 536485939 /nfs/dbraw/zinc/48/59/39/536485939.db2.gz NJHZATXCPBQVFS-IUCAKERBSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@@H+](Cc1csnn1)[C@H]1CCC[C@@H]1O ZINC000348555506 536485941 /nfs/dbraw/zinc/48/59/41/536485941.db2.gz NJHZATXCPBQVFS-IUCAKERBSA-N 1 2 213.306 0.883 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)C ZINC000351602502 536524313 /nfs/dbraw/zinc/52/43/13/536524313.db2.gz IJHYRJAMURRWCZ-ZJUUUORDSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N(C)C ZINC000351602502 536524320 /nfs/dbraw/zinc/52/43/20/536524320.db2.gz IJHYRJAMURRWCZ-ZJUUUORDSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc[nH]c1 ZINC000179644285 536513250 /nfs/dbraw/zinc/51/32/50/536513250.db2.gz AWPUMULGGYJRSM-MNOVXSKESA-N 1 2 238.287 0.777 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc[nH]c1 ZINC000179644285 536513255 /nfs/dbraw/zinc/51/32/55/536513255.db2.gz AWPUMULGGYJRSM-MNOVXSKESA-N 1 2 238.287 0.777 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000348252549 536630351 /nfs/dbraw/zinc/63/03/51/536630351.db2.gz ZQIJRGOMIUVCRD-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000348252549 536630346 /nfs/dbraw/zinc/63/03/46/536630346.db2.gz ZQIJRGOMIUVCRD-JBLDHEPKSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](CO)C1 ZINC000352007699 536841843 /nfs/dbraw/zinc/84/18/43/536841843.db2.gz YHTNGQKSTCRGTQ-QMMMGPOBSA-N 1 2 240.259 0.275 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](CO)C1 ZINC000352007699 536841847 /nfs/dbraw/zinc/84/18/47/536841847.db2.gz YHTNGQKSTCRGTQ-QMMMGPOBSA-N 1 2 240.259 0.275 20 0 BCADLO Cn1nccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000352147727 566473244 /nfs/dbraw/zinc/47/32/44/566473244.db2.gz JRKJWRMNPZEBOX-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO Cn1nccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000352147727 566473252 /nfs/dbraw/zinc/47/32/52/566473252.db2.gz JRKJWRMNPZEBOX-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000851968660 582987288 /nfs/dbraw/zinc/98/72/88/582987288.db2.gz PEEHMHZNCCUQQG-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000851968660 582987291 /nfs/dbraw/zinc/98/72/91/582987291.db2.gz PEEHMHZNCCUQQG-GXSJLCMTSA-N 1 2 222.292 0.112 20 0 BCADLO COC[C@@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000893047454 583037595 /nfs/dbraw/zinc/03/75/95/583037595.db2.gz QVKFUFVXROSWMT-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000893047454 583037596 /nfs/dbraw/zinc/03/75/96/583037596.db2.gz QVKFUFVXROSWMT-VIFPVBQESA-N 1 2 240.307 0.352 20 0 BCADLO CN(C)c1cc(N(C)CC2(O)CCC2)nc[nH+]1 ZINC000893166707 583062399 /nfs/dbraw/zinc/06/23/99/583062399.db2.gz DJGZQGCPSMUWCA-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N(C)CC2(O)CCC2)[nH+]cn1 ZINC000893166707 583062400 /nfs/dbraw/zinc/06/24/00/583062400.db2.gz DJGZQGCPSMUWCA-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CO[C@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000893397216 583135166 /nfs/dbraw/zinc/13/51/66/583135166.db2.gz OROANRPDEYUUKE-MRVPVSSYSA-N 1 2 210.281 0.989 20 0 BCADLO CO[C@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000893397216 583135170 /nfs/dbraw/zinc/13/51/70/583135170.db2.gz OROANRPDEYUUKE-MRVPVSSYSA-N 1 2 210.281 0.989 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1nccn1C ZINC000223746197 583181134 /nfs/dbraw/zinc/18/11/34/583181134.db2.gz LMEPPQMYPMYTMZ-SECBINFHSA-N 1 2 245.348 0.505 20 0 BCADLO COCCOC[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000893865711 583235021 /nfs/dbraw/zinc/23/50/21/583235021.db2.gz IVUFQEKBPUORQK-VHSXEESVSA-N 1 2 242.323 0.517 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn2ccnc2s1 ZINC000893965838 583263778 /nfs/dbraw/zinc/26/37/78/583263778.db2.gz VWELRPYUQHPXLN-UHFFFAOYSA-N 1 2 238.316 0.703 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn2ccnc2s1 ZINC000893965838 583263783 /nfs/dbraw/zinc/26/37/83/583263783.db2.gz VWELRPYUQHPXLN-UHFFFAOYSA-N 1 2 238.316 0.703 20 0 BCADLO CCN(CC(N)=O)Cc1[nH+]ccn1C1CC1 ZINC000893964543 583266552 /nfs/dbraw/zinc/26/65/52/583266552.db2.gz CQLDZRISENAWLE-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO CNC(=O)[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893964713 583265865 /nfs/dbraw/zinc/26/58/65/583265865.db2.gz PROFLCXTYCIMAC-YUMQZZPRSA-N 1 2 223.276 0.681 20 0 BCADLO CNc1cc(N2CC[C@](O)(C(F)F)C2)[nH+]cn1 ZINC000894047562 583287980 /nfs/dbraw/zinc/28/79/80/583287980.db2.gz CZXQTVFAIXZAGH-SNVBAGLBSA-N 1 2 244.245 0.725 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853109966 588721159 /nfs/dbraw/zinc/72/11/59/588721159.db2.gz SXUFHPBBZHJAKB-SECBINFHSA-N 1 2 232.230 0.332 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cc(F)ncn1 ZINC000853258586 588729829 /nfs/dbraw/zinc/72/98/29/588729829.db2.gz VTZCVXLYILEYMF-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=O)o1 ZINC000853498928 588746306 /nfs/dbraw/zinc/74/63/06/588746306.db2.gz RQUZIDFLDZJRGP-YUMQZZPRSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=O)o1 ZINC000853498928 588746307 /nfs/dbraw/zinc/74/63/07/588746307.db2.gz RQUZIDFLDZJRGP-YUMQZZPRSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853487048 588745603 /nfs/dbraw/zinc/74/56/03/588745603.db2.gz IEWXVHUIDGBENJ-MRVPVSSYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853487048 588745604 /nfs/dbraw/zinc/74/56/04/588745604.db2.gz IEWXVHUIDGBENJ-MRVPVSSYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CC2)c(=O)o1 ZINC000853495255 588745673 /nfs/dbraw/zinc/74/56/73/588745673.db2.gz PYDNUCBCQBOKAR-SNVBAGLBSA-N 1 2 223.276 0.977 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c(=O)o1 ZINC000853495255 588745674 /nfs/dbraw/zinc/74/56/74/588745674.db2.gz PYDNUCBCQBOKAR-SNVBAGLBSA-N 1 2 223.276 0.977 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@@H]2CCCOC2)c(=O)o1 ZINC000853495256 588745974 /nfs/dbraw/zinc/74/59/74/588745974.db2.gz TXJIYNLMLUPFRQ-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@@H]2CCCOC2)c(=O)o1 ZINC000853495256 588745975 /nfs/dbraw/zinc/74/59/75/588745975.db2.gz TXJIYNLMLUPFRQ-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(=O)o1 ZINC000853500402 588746434 /nfs/dbraw/zinc/74/64/34/588746434.db2.gz JXTBHJCIFHZQMP-YUMQZZPRSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(=O)o1 ZINC000853500402 588746435 /nfs/dbraw/zinc/74/64/35/588746435.db2.gz JXTBHJCIFHZQMP-YUMQZZPRSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2CCSC[C@@H](C)C2)c(=O)o1 ZINC000853507977 588746546 /nfs/dbraw/zinc/74/65/46/588746546.db2.gz GKMFUJCTKBQNPV-QMMMGPOBSA-N 1 2 243.332 0.787 20 0 BCADLO Cc1nn(C[N@@H+]2CCSC[C@@H](C)C2)c(=O)o1 ZINC000853507977 588746547 /nfs/dbraw/zinc/74/65/47/588746547.db2.gz GKMFUJCTKBQNPV-QMMMGPOBSA-N 1 2 243.332 0.787 20 0 BCADLO Cc1nn(C[N@@H+]2CCS[C@H](C)CC2)c(=O)o1 ZINC000853508330 588746579 /nfs/dbraw/zinc/74/65/79/588746579.db2.gz FAEPPFNZTDNRHN-MRVPVSSYSA-N 1 2 243.332 0.930 20 0 BCADLO Cc1nn(C[N@H+]2CCS[C@H](C)CC2)c(=O)o1 ZINC000853508330 588746580 /nfs/dbraw/zinc/74/65/80/588746580.db2.gz FAEPPFNZTDNRHN-MRVPVSSYSA-N 1 2 243.332 0.930 20 0 BCADLO O=c1n(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nc2n1CCCC2 ZINC000853577630 588749689 /nfs/dbraw/zinc/74/96/89/588749689.db2.gz UOVLHEITJHJCIN-GHMZBOCLSA-N 1 2 248.330 0.680 20 0 BCADLO O=c1n(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nc2n1CCCC2 ZINC000853577630 588749690 /nfs/dbraw/zinc/74/96/90/588749690.db2.gz UOVLHEITJHJCIN-GHMZBOCLSA-N 1 2 248.330 0.680 20 0 BCADLO CCCn1ncnc1CO[NH+]=C(N)[C@H](C)OC ZINC000853673451 588754651 /nfs/dbraw/zinc/75/46/51/588754651.db2.gz FDXKXMFSHWAREX-QMMMGPOBSA-N 1 2 241.295 0.721 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCO[C@@H]1CC1(F)F ZINC000853673936 588754775 /nfs/dbraw/zinc/75/47/75/588754775.db2.gz MVYLGJPTXYSCPO-RNFRBKRXSA-N 1 2 238.234 0.944 20 0 BCADLO CCn1ncnc1CO[NH+]=C(N)[C@@H](C)OC ZINC000853674247 588754907 /nfs/dbraw/zinc/75/49/07/588754907.db2.gz VCCCFIDWECOOPK-SSDOTTSWSA-N 1 2 227.268 0.331 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1COCO1 ZINC000853686081 588756025 /nfs/dbraw/zinc/75/60/25/588756025.db2.gz FDHXRWSWUMXLAU-SSDOTTSWSA-N 1 2 235.247 0.148 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)OC ZINC000853696748 588757344 /nfs/dbraw/zinc/75/73/44/588757344.db2.gz BCGMXMVWLOIBCW-DTWKUNHWSA-N 1 2 232.280 0.325 20 0 BCADLO NC(=[NH+]OCc1cccnc1N)[C@H]1CCCO1 ZINC000853696763 588757382 /nfs/dbraw/zinc/75/73/82/588757382.db2.gz BPTFIRDHAHVUAG-SECBINFHSA-N 1 2 236.275 0.841 20 0 BCADLO NC(=[NH+]OC[C@H]1COCCO1)[C@@H]1CCCO1 ZINC000853697406 588757509 /nfs/dbraw/zinc/75/75/09/588757509.db2.gz HEEOXKMVKLFCMG-BDAKNGLRSA-N 1 2 230.264 0.079 20 0 BCADLO Cc1nsc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000853813170 588764517 /nfs/dbraw/zinc/76/45/17/588764517.db2.gz YQZPQTJTKVHALP-UHFFFAOYSA-N 1 2 237.288 0.842 20 0 BCADLO Cc1nsc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000853813170 588764518 /nfs/dbraw/zinc/76/45/18/588764518.db2.gz YQZPQTJTKVHALP-UHFFFAOYSA-N 1 2 237.288 0.842 20 0 BCADLO C[C@H](O)CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854096128 588774621 /nfs/dbraw/zinc/77/46/21/588774621.db2.gz MRRRYIURTAZZJA-IUCAKERBSA-N 1 2 238.291 0.398 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)N[C@@H]1CCn2cc[nH+]c21 ZINC000854096928 588774738 /nfs/dbraw/zinc/77/47/38/588774738.db2.gz VUKSJLCONPIYKJ-IWSPIJDZSA-N 1 2 236.275 0.150 20 0 BCADLO CC(C)(C(=O)NN1CCCC1)c1c[nH]c[nH+]1 ZINC000854326473 588783874 /nfs/dbraw/zinc/78/38/74/588783874.db2.gz ILBFSCRZAPHQRF-UHFFFAOYSA-N 1 2 222.292 0.814 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NN1CCCC1 ZINC000854328135 588784443 /nfs/dbraw/zinc/78/44/43/588784443.db2.gz NRKQIOHAVFTUKX-UHFFFAOYSA-N 1 2 222.292 0.790 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000854337141 588784586 /nfs/dbraw/zinc/78/45/86/588784586.db2.gz ULMPAQAKSCGITP-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353594 588785052 /nfs/dbraw/zinc/78/50/52/588785052.db2.gz ATLXDXMTQWHSKH-ZUBDVOCPSA-N 1 2 249.358 0.625 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353594 588785053 /nfs/dbraw/zinc/78/50/53/588785053.db2.gz ATLXDXMTQWHSKH-ZUBDVOCPSA-N 1 2 249.358 0.625 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C(F)F)C1 ZINC000854369042 588785090 /nfs/dbraw/zinc/78/50/90/588785090.db2.gz YOFGUHSJSNTANC-SSDOTTSWSA-N 1 2 245.229 0.445 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854456124 588787514 /nfs/dbraw/zinc/78/75/14/588787514.db2.gz LGJBSTOKXYLVMC-VIFPVBQESA-N 1 2 225.292 0.333 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000854464956 588788610 /nfs/dbraw/zinc/78/86/10/588788610.db2.gz SIWULSRBRQGFIV-MRVPVSSYSA-N 1 2 241.291 0.384 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000854464956 588788611 /nfs/dbraw/zinc/78/86/11/588788611.db2.gz SIWULSRBRQGFIV-MRVPVSSYSA-N 1 2 241.291 0.384 20 0 BCADLO COCC[C@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854525059 588790200 /nfs/dbraw/zinc/79/02/00/588790200.db2.gz CIOJFWKVFWHSMP-SECBINFHSA-N 1 2 241.291 0.120 20 0 BCADLO COCC[C@@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854525060 588790202 /nfs/dbraw/zinc/79/02/02/588790202.db2.gz CIOJFWKVFWHSMP-VIFPVBQESA-N 1 2 241.291 0.120 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854575528 588794924 /nfs/dbraw/zinc/79/49/24/588794924.db2.gz GALNXONLSRTCLZ-QMMMGPOBSA-N 1 2 223.276 0.324 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000854595256 588796465 /nfs/dbraw/zinc/79/64/65/588796465.db2.gz XTGAPJBGPDUYTL-HTQZYQBOSA-N 1 2 222.248 0.752 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000854499134 588789666 /nfs/dbraw/zinc/78/96/66/588789666.db2.gz UMEBUZHEDHARID-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO COC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854647777 588799174 /nfs/dbraw/zinc/79/91/74/588799174.db2.gz XVZFILSUTHSUJE-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@H](O)C1CC1 ZINC000854685992 588801283 /nfs/dbraw/zinc/80/12/83/588801283.db2.gz OYQRDVVDYXASKZ-RKDXNWHRSA-N 1 2 221.260 0.215 20 0 BCADLO CS[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854751849 588805195 /nfs/dbraw/zinc/80/51/95/588805195.db2.gz CESNBMYPSRRILP-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO CC[C@](C)(CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854818442 588812146 /nfs/dbraw/zinc/81/21/46/588812146.db2.gz MCIFFHGXIVXPOI-LLVKDONJSA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)O ZINC000854830362 588812593 /nfs/dbraw/zinc/81/25/93/588812593.db2.gz VZHSTGUNIUYXJN-SFYZADRCSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CS1 ZINC000854934464 588816997 /nfs/dbraw/zinc/81/69/97/588816997.db2.gz SXJSIYLIQRBXHA-HTQZYQBOSA-N 1 2 225.317 0.962 20 0 BCADLO CCn1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1=O ZINC000854932943 588817001 /nfs/dbraw/zinc/81/70/01/588817001.db2.gz XVIWTMSYYHNDIF-UHFFFAOYSA-N 1 2 246.270 0.773 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](CF)C1 ZINC000854931343 588817120 /nfs/dbraw/zinc/81/71/20/588817120.db2.gz UHBNWGFIQKYWOG-MRVPVSSYSA-N 1 2 227.239 0.149 20 0 BCADLO C[C@H]1[C@@H](CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854949657 588818674 /nfs/dbraw/zinc/81/86/74/588818674.db2.gz FVKCPGRHDHTERL-VHSXEESVSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000854951254 588818714 /nfs/dbraw/zinc/81/87/14/588818714.db2.gz SJVGRSIIVSTJGZ-NXEZZACHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1CN=C(NC(=O)Cc2[nH]cc[nH+]2)S1 ZINC000854992190 588820012 /nfs/dbraw/zinc/82/00/12/588820012.db2.gz LQTMVXLEHHPOCH-LURJTMIESA-N 1 2 224.289 0.560 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000855015874 588820464 /nfs/dbraw/zinc/82/04/64/588820464.db2.gz GSJMEVDIPBEMMO-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000009960967 588822180 /nfs/dbraw/zinc/82/21/80/588822180.db2.gz VYPQTMVIYUFLFT-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000009960967 588822181 /nfs/dbraw/zinc/82/21/81/588822181.db2.gz VYPQTMVIYUFLFT-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C=Cc1cnn(C)c1 ZINC000855134586 588822809 /nfs/dbraw/zinc/82/28/09/588822809.db2.gz TYWQVHIYENOLEL-ARJAWSKDSA-N 1 2 245.286 0.815 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C=Cc1cnn(C)c1 ZINC000855134586 588822810 /nfs/dbraw/zinc/82/28/10/588822810.db2.gz TYWQVHIYENOLEL-ARJAWSKDSA-N 1 2 245.286 0.815 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cnsn1 ZINC000855134069 588822865 /nfs/dbraw/zinc/82/28/65/588822865.db2.gz BTQVHZGBDPUDQZ-UHFFFAOYSA-N 1 2 223.261 0.533 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cnsn1 ZINC000855134069 588822866 /nfs/dbraw/zinc/82/28/66/588822866.db2.gz BTQVHZGBDPUDQZ-UHFFFAOYSA-N 1 2 223.261 0.533 20 0 BCADLO C[C@]1(C2CC2)COCCN1C(=O)Cn1cc[nH+]c1 ZINC000890582026 582483636 /nfs/dbraw/zinc/48/36/36/582483636.db2.gz DZPZPRCFFNHKNT-CYBMUJFWSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C(F)F)[C@@H](C)CO1 ZINC000855413535 588831873 /nfs/dbraw/zinc/83/18/73/588831873.db2.gz MUKKGYZWGOWOHA-YUMQZZPRSA-N 1 2 236.262 0.477 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C(F)F)[C@@H](C)CO1 ZINC000855413535 588831874 /nfs/dbraw/zinc/83/18/74/588831874.db2.gz MUKKGYZWGOWOHA-YUMQZZPRSA-N 1 2 236.262 0.477 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H](O)C1CC1 ZINC000890713231 582511810 /nfs/dbraw/zinc/51/18/10/582511810.db2.gz FRJNZSDMJAXAPN-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@@H](O)C1CC1 ZINC000890713231 582511812 /nfs/dbraw/zinc/51/18/12/582511812.db2.gz FRJNZSDMJAXAPN-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@@H](O)C1CC1 ZINC000890721084 582515317 /nfs/dbraw/zinc/51/53/17/582515317.db2.gz WFJKRBIXHWSCSP-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC[C@H](O)C1CC1 ZINC000890719339 582515446 /nfs/dbraw/zinc/51/54/46/582515446.db2.gz FAUWHSZKDFYLKN-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO CC[C@@H](NCc1cnn(C)n1)c1[nH+]ccn1C ZINC000806167910 582520809 /nfs/dbraw/zinc/52/08/09/582520809.db2.gz BZCKQQZEBOHKAT-SNVBAGLBSA-N 1 2 234.307 0.790 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891045522 582601163 /nfs/dbraw/zinc/60/11/63/582601163.db2.gz HABQPIOKQBBQOT-PWSUYJOCSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891045522 582601165 /nfs/dbraw/zinc/60/11/65/582601165.db2.gz HABQPIOKQBBQOT-PWSUYJOCSA-N 1 2 249.314 0.802 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891048031 582601606 /nfs/dbraw/zinc/60/16/06/582601606.db2.gz IODXWOQDZJDUAN-NEPJUHHUSA-N 1 2 249.314 0.504 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1=O ZINC000844749216 582606185 /nfs/dbraw/zinc/60/61/85/582606185.db2.gz WEZUPOPQKQFMLS-ILMIYZIASA-N 1 2 242.344 0.018 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1=O ZINC000844749216 582606186 /nfs/dbraw/zinc/60/61/86/582606186.db2.gz WEZUPOPQKQFMLS-ILMIYZIASA-N 1 2 242.344 0.018 20 0 BCADLO C[C@@H]1CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868317750 582613930 /nfs/dbraw/zinc/61/39/30/582613930.db2.gz QEHJLRNULSYTKK-JDEDCZITSA-N 1 2 238.331 0.790 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)C1=O ZINC000855581417 588840050 /nfs/dbraw/zinc/84/00/50/588840050.db2.gz YMYAPKXJDWYKKD-RKDXNWHRSA-N 1 2 235.287 0.636 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC000846091733 582644743 /nfs/dbraw/zinc/64/47/43/582644743.db2.gz PCZKJFSBFWZRCP-SECBINFHSA-N 1 2 216.281 0.213 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCCOCC1 ZINC000846091734 582644779 /nfs/dbraw/zinc/64/47/79/582644779.db2.gz PCZKJFSBFWZRCP-VIFPVBQESA-N 1 2 216.281 0.213 20 0 BCADLO COC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000725720978 582675332 /nfs/dbraw/zinc/67/53/32/582675332.db2.gz KXMCNHRHXOZTMJ-MRVPVSSYSA-N 1 2 202.254 0.063 20 0 BCADLO COC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000725720978 582675333 /nfs/dbraw/zinc/67/53/33/582675333.db2.gz KXMCNHRHXOZTMJ-MRVPVSSYSA-N 1 2 202.254 0.063 20 0 BCADLO COCCCNc1cc(N(C)C)nc[nH+]1 ZINC000891410825 582680867 /nfs/dbraw/zinc/68/08/67/582680867.db2.gz VPWJWNRNQPRVOR-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO COCCCNc1cc(N(C)C)[nH+]cn1 ZINC000891410825 582680869 /nfs/dbraw/zinc/68/08/69/582680869.db2.gz VPWJWNRNQPRVOR-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[C@H]1O ZINC000855691973 588844993 /nfs/dbraw/zinc/84/49/93/588844993.db2.gz BOSHSICFJGICPL-GDGBQDQQSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)C1O ZINC000855691974 588845033 /nfs/dbraw/zinc/84/50/33/588845033.db2.gz BOSHSICFJGICPL-IUCAKERBSA-N 1 2 237.303 0.428 20 0 BCADLO Cc1cc(F)ncc1C[N@H+](C)CC(N)=O ZINC000891581770 582698969 /nfs/dbraw/zinc/69/89/69/582698969.db2.gz MGDZDCUNCXBFND-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO Cc1cc(F)ncc1C[N@@H+](C)CC(N)=O ZINC000891581770 582698970 /nfs/dbraw/zinc/69/89/70/582698970.db2.gz MGDZDCUNCXBFND-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@](O)(C2CC2)C1 ZINC000855696817 588845433 /nfs/dbraw/zinc/84/54/33/588845433.db2.gz FVEVQWZWQSOEGU-CYBMUJFWSA-N 1 2 249.314 0.716 20 0 BCADLO COC(=O)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891638477 582704168 /nfs/dbraw/zinc/70/41/68/582704168.db2.gz MTMNIBHLRRURJU-UHFFFAOYSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1cc(NC(=O)[C@@]2(C)CCNC(=O)C2)cc[nH+]1 ZINC000891831909 582728540 /nfs/dbraw/zinc/72/85/40/582728540.db2.gz CISCVTCWYSHEOD-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)O[C@H]1CNOC1 ZINC000848057647 582746398 /nfs/dbraw/zinc/74/63/98/582746398.db2.gz YKGJXSPEMXZWLE-APPZFPTMSA-N 1 2 225.248 0.035 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)O[C@H]1CNOC1 ZINC000848057647 582746400 /nfs/dbraw/zinc/74/64/00/582746400.db2.gz YKGJXSPEMXZWLE-APPZFPTMSA-N 1 2 225.248 0.035 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000855833045 588849772 /nfs/dbraw/zinc/84/97/72/588849772.db2.gz GESBLCAGXVZUKX-BXKDBHETSA-N 1 2 235.287 0.447 20 0 BCADLO C[C@@H](O)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892003685 582759099 /nfs/dbraw/zinc/75/90/99/582759099.db2.gz CSUFHRLIGPBIIM-MRVPVSSYSA-N 1 2 210.281 0.360 20 0 BCADLO C[C@@H](O)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892003685 582759100 /nfs/dbraw/zinc/75/91/00/582759100.db2.gz CSUFHRLIGPBIIM-MRVPVSSYSA-N 1 2 210.281 0.360 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000892060820 582781102 /nfs/dbraw/zinc/78/11/02/582781102.db2.gz NERRXZNSSDGAJS-BDAKNGLRSA-N 1 2 222.292 0.875 20 0 BCADLO C[C@H](Cn1cncn1)Nc1cc(N(C)C)nc[nH+]1 ZINC000892127806 582796274 /nfs/dbraw/zinc/79/62/74/582796274.db2.gz UXVHKOPJGXDJRP-SECBINFHSA-N 1 2 247.306 0.635 20 0 BCADLO C[C@H](Cn1cncn1)Nc1cc(N(C)C)[nH+]cn1 ZINC000892127806 582796276 /nfs/dbraw/zinc/79/62/76/582796276.db2.gz UXVHKOPJGXDJRP-SECBINFHSA-N 1 2 247.306 0.635 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(=O)o1 ZINC000119811959 582805827 /nfs/dbraw/zinc/80/58/27/582805827.db2.gz RVUWHKFAMXVPML-RKDXNWHRSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c(=O)o1 ZINC000119811959 582805828 /nfs/dbraw/zinc/80/58/28/582805828.db2.gz RVUWHKFAMXVPML-RKDXNWHRSA-N 1 2 241.291 0.671 20 0 BCADLO C[N@H+](Cc1ccnn1C1CCC1)[C@H]1CCNC1=O ZINC000892239575 582811710 /nfs/dbraw/zinc/81/17/10/582811710.db2.gz AAPDOXFLWOIAMM-LBPRGKRZSA-N 1 2 248.330 0.928 20 0 BCADLO C[N@@H+](Cc1ccnn1C1CCC1)[C@H]1CCNC1=O ZINC000892239575 582811711 /nfs/dbraw/zinc/81/17/11/582811711.db2.gz AAPDOXFLWOIAMM-LBPRGKRZSA-N 1 2 248.330 0.928 20 0 BCADLO O=C(NN1CCCC1=O)c1cccc2[nH+]ccn21 ZINC000780701035 582839974 /nfs/dbraw/zinc/83/99/74/582839974.db2.gz ALHGACXPPBDDLD-UHFFFAOYSA-N 1 2 244.254 0.602 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H]1CO ZINC000889142812 582843310 /nfs/dbraw/zinc/84/33/10/582843310.db2.gz RSCCVJKJEZCPKJ-VIFPVBQESA-N 1 2 231.255 0.541 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000124815195 582854225 /nfs/dbraw/zinc/85/42/25/582854225.db2.gz XZIJRLLXQUUBIW-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000124815195 582854228 /nfs/dbraw/zinc/85/42/28/582854228.db2.gz XZIJRLLXQUUBIW-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO Nc1nc(N2CCOCC2)nc(C2CCCC2)[nH+]1 ZINC000111753518 582861233 /nfs/dbraw/zinc/86/12/33/582861233.db2.gz ORHOLJSJKRAJPQ-UHFFFAOYSA-N 1 2 249.318 0.948 20 0 BCADLO Nc1nc(C2CCCC2)[nH+]c(N2CCOCC2)n1 ZINC000111753518 582861234 /nfs/dbraw/zinc/86/12/34/582861234.db2.gz ORHOLJSJKRAJPQ-UHFFFAOYSA-N 1 2 249.318 0.948 20 0 BCADLO COC[C@](C)(O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892488126 582897394 /nfs/dbraw/zinc/89/73/94/582897394.db2.gz DVWITQOXDSBMTN-BXKDBHETSA-N 1 2 240.303 0.944 20 0 BCADLO CC1(CNc2nc(N)[nH+]c(C3CC3)n2)COC1 ZINC000892506184 582900794 /nfs/dbraw/zinc/90/07/94/582900794.db2.gz WOKFSDFDBHGOGG-UHFFFAOYSA-N 1 2 235.291 0.780 20 0 BCADLO CC1(CNc2nc(N)nc(C3CC3)[nH+]2)COC1 ZINC000892506184 582900796 /nfs/dbraw/zinc/90/07/96/582900796.db2.gz WOKFSDFDBHGOGG-UHFFFAOYSA-N 1 2 235.291 0.780 20 0 BCADLO Nc1cc(COC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000850259169 582909972 /nfs/dbraw/zinc/90/99/72/582909972.db2.gz DMBMSHYNWGJYGT-JZYVYDRUSA-N 1 2 234.255 0.599 20 0 BCADLO CCc1cc(NCC(=O)NCC2CC2)nc[nH+]1 ZINC000393050068 582910471 /nfs/dbraw/zinc/91/04/71/582910471.db2.gz AOKITSWWYDGBDK-UHFFFAOYSA-N 1 2 234.303 0.399 20 0 BCADLO CNC(=O)c1cc(N(C)Cc2[nH]cc[nH+]2)ccn1 ZINC000892558720 582913779 /nfs/dbraw/zinc/91/37/79/582913779.db2.gz CTVLKHVFQGLCFS-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO COCC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000892602579 582926055 /nfs/dbraw/zinc/92/60/55/582926055.db2.gz CBTAZMCAPRAVDH-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC12CC(O)C2 ZINC000888948446 582949368 /nfs/dbraw/zinc/94/93/68/582949368.db2.gz GZDVXNJKHADHBM-QUNCOHTASA-N 1 2 247.298 0.523 20 0 BCADLO CC1(C)OCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000856263522 588865780 /nfs/dbraw/zinc/86/57/80/588865780.db2.gz NDBKQHPVSMSEQS-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851746598 582965803 /nfs/dbraw/zinc/96/58/03/582965803.db2.gz ANVMLHABLHHGCM-VIFPVBQESA-N 1 2 238.291 0.547 20 0 BCADLO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851746598 582965804 /nfs/dbraw/zinc/96/58/04/582965804.db2.gz ANVMLHABLHHGCM-VIFPVBQESA-N 1 2 238.291 0.547 20 0 BCADLO C[C@@H](NC(=O)C1=COCCO1)c1[nH+]ccn1C ZINC000856275393 588866339 /nfs/dbraw/zinc/86/63/39/588866339.db2.gz BRGHISONJJPJMZ-MRVPVSSYSA-N 1 2 237.259 0.486 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000851800833 582967817 /nfs/dbraw/zinc/96/78/17/582967817.db2.gz SICDLJOHNWWZGD-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000851800833 582967819 /nfs/dbraw/zinc/96/78/19/582967819.db2.gz SICDLJOHNWWZGD-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO C[C@@H](NC(=O)CC1OCCO1)c1[nH+]ccn1C ZINC000856281146 588866806 /nfs/dbraw/zinc/86/68/06/588866806.db2.gz MCHAZEWIZKGXOD-MRVPVSSYSA-N 1 2 239.275 0.360 20 0 BCADLO CCN(CC(=O)NC)c1cc(N(C)C)[nH+]cn1 ZINC000892779657 582981064 /nfs/dbraw/zinc/98/10/64/582981064.db2.gz OLBDXTPQHZXAHF-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO CCN(CC(=O)NC)c1cc(N(C)C)nc[nH+]1 ZINC000892779657 582981066 /nfs/dbraw/zinc/98/10/66/582981066.db2.gz OLBDXTPQHZXAHF-UHFFFAOYSA-N 1 2 237.307 0.115 20 0 BCADLO CN(C)c1cc(NCC2(CO)CC2)[nH+]cn1 ZINC000892779860 582981082 /nfs/dbraw/zinc/98/10/82/582981082.db2.gz VQPBTTYGSDIJLP-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO CN(C)c1cc(NCC2(CO)CC2)nc[nH+]1 ZINC000892779860 582981083 /nfs/dbraw/zinc/98/10/83/582981083.db2.gz VQPBTTYGSDIJLP-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO C[C@@]1(O)CCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000892807141 582986118 /nfs/dbraw/zinc/98/61/18/582986118.db2.gz PTQKOUQLBGASNU-LLVKDONJSA-N 1 2 235.291 0.292 20 0 BCADLO C[C@@]1(O)CCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000892807141 582986120 /nfs/dbraw/zinc/98/61/20/582986120.db2.gz PTQKOUQLBGASNU-LLVKDONJSA-N 1 2 235.291 0.292 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCCN(C)C2=O)[nH+]cn1 ZINC000892801916 582986596 /nfs/dbraw/zinc/98/65/96/582986596.db2.gz QVTDPCWTDFASLH-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO CN(C)c1cc(N[C@@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000892801916 582986598 /nfs/dbraw/zinc/98/65/98/582986598.db2.gz QVTDPCWTDFASLH-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO C[C@H]1C(=O)NCCN1c1nccn2c[nH+]cc12 ZINC000892822590 582989244 /nfs/dbraw/zinc/98/92/44/582989244.db2.gz IRDUEWYEVDPEKF-QMMMGPOBSA-N 1 2 231.259 0.054 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCCOC2)c1 ZINC000892856706 582997491 /nfs/dbraw/zinc/99/74/91/582997491.db2.gz MSHUGZRFYXDTKU-SECBINFHSA-N 1 2 238.291 0.398 20 0 BCADLO C[C@H](O)c1cccc(N(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000893018835 583030550 /nfs/dbraw/zinc/03/05/50/583030550.db2.gz MUICOYMJMPJAHU-WCBMZHEXSA-N 1 2 235.287 0.460 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(NC)[nH+]cn1 ZINC000893054160 583038211 /nfs/dbraw/zinc/03/82/11/583038211.db2.gz VBYNGKBPSZKFEF-BDAKNGLRSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(NC)nc[nH+]1 ZINC000893054160 583038213 /nfs/dbraw/zinc/03/82/13/583038213.db2.gz VBYNGKBPSZKFEF-BDAKNGLRSA-N 1 2 249.318 0.845 20 0 BCADLO C[C@H](C[S@](C)=O)Nc1nccn2c[nH+]cc12 ZINC000893137356 583055161 /nfs/dbraw/zinc/05/51/61/583055161.db2.gz APXCZDFVHLJMRT-BCTVWOGZSA-N 1 2 238.316 0.908 20 0 BCADLO C[C@@H](C[S@@](C)=O)Nc1nccn2c[nH+]cc12 ZINC000893137359 583055367 /nfs/dbraw/zinc/05/53/67/583055367.db2.gz APXCZDFVHLJMRT-ZKANADHPSA-N 1 2 238.316 0.908 20 0 BCADLO C[N@H+](CCN1CCOC1=O)Cc1cc[nH]n1 ZINC000114461032 588874726 /nfs/dbraw/zinc/87/47/26/588874726.db2.gz RSGGQTZMGIJWQK-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO C[N@@H+](CCN1CCOC1=O)Cc1cc[nH]n1 ZINC000114461032 588874727 /nfs/dbraw/zinc/87/47/27/588874727.db2.gz RSGGQTZMGIJWQK-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)ccn1 ZINC000856724174 588875250 /nfs/dbraw/zinc/87/52/50/588875250.db2.gz WOURRYXQBJARAD-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)ccn1 ZINC000856724174 588875251 /nfs/dbraw/zinc/87/52/51/588875251.db2.gz WOURRYXQBJARAD-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO CN(C)c1cc(N2CCn3ncnc3C2)nc[nH+]1 ZINC000893237890 583076187 /nfs/dbraw/zinc/07/61/87/583076187.db2.gz MFWKYKYPODKLCO-UHFFFAOYSA-N 1 2 245.290 0.154 20 0 BCADLO CN(C)c1cc(N2CCn3ncnc3C2)[nH+]cn1 ZINC000893237890 583076189 /nfs/dbraw/zinc/07/61/89/583076189.db2.gz MFWKYKYPODKLCO-UHFFFAOYSA-N 1 2 245.290 0.154 20 0 BCADLO c1nc2n(n1)CCN(c1nccn3c[nH+]cc13)C2 ZINC000893240003 583076391 /nfs/dbraw/zinc/07/63/91/583076391.db2.gz WXRMDUZWQJFKMM-UHFFFAOYSA-N 1 2 241.258 0.341 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CC[C@H]1O ZINC000893269797 583081589 /nfs/dbraw/zinc/08/15/89/583081589.db2.gz SIDBGASCORAUCP-GXSJLCMTSA-N 1 2 232.287 0.936 20 0 BCADLO COCCN(CCF)C(=O)CCc1[nH]cc[nH+]1 ZINC000855593374 583108629 /nfs/dbraw/zinc/10/86/29/583108629.db2.gz DLGBHMGWGYIKHF-UHFFFAOYSA-N 1 2 243.282 0.787 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH+]ccn1C ZINC000856280757 583118341 /nfs/dbraw/zinc/11/83/41/583118341.db2.gz WBZFKCYYYQXTMA-RKDXNWHRSA-N 1 2 235.287 0.967 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000893427249 583141251 /nfs/dbraw/zinc/14/12/51/583141251.db2.gz KJZWEPQSBHQJCP-POYBYMJQSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000893427249 583141252 /nfs/dbraw/zinc/14/12/52/583141252.db2.gz KJZWEPQSBHQJCP-POYBYMJQSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000893427251 583141764 /nfs/dbraw/zinc/14/17/64/583141764.db2.gz KJZWEPQSBHQJCP-XPUUQOCRSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000893427251 583141765 /nfs/dbraw/zinc/14/17/65/583141765.db2.gz KJZWEPQSBHQJCP-XPUUQOCRSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1nccn2c[nH+]cc12 ZINC000893427488 583141838 /nfs/dbraw/zinc/14/18/38/583141838.db2.gz NEXQEWLSUQHQTA-DTWKUNHWSA-N 1 2 218.260 0.689 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1nccn2c[nH+]cc12 ZINC000893427485 583141852 /nfs/dbraw/zinc/14/18/52/583141852.db2.gz NEXQEWLSUQHQTA-BDAKNGLRSA-N 1 2 218.260 0.689 20 0 BCADLO CSCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000595649578 583150808 /nfs/dbraw/zinc/15/08/08/583150808.db2.gz PLGUBNHDWGSUAG-UHFFFAOYSA-N 1 2 242.348 0.625 20 0 BCADLO COC(=O)[C@@]1(C)C[C@H](OC(=O)C2CC2)C[N@@H+]1C ZINC000893562393 583164294 /nfs/dbraw/zinc/16/42/94/583164294.db2.gz MCYYMLXLYJIMBL-JOYOIKCWSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@@]1(C)C[C@H](OC(=O)C2CC2)C[N@H+]1C ZINC000893562393 583164296 /nfs/dbraw/zinc/16/42/96/583164296.db2.gz MCYYMLXLYJIMBL-JOYOIKCWSA-N 1 2 241.287 0.575 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)n1 ZINC000857039147 588883328 /nfs/dbraw/zinc/88/33/28/588883328.db2.gz AVHLSIDUVFLOSA-GXSJLCMTSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)n1 ZINC000857039147 588883330 /nfs/dbraw/zinc/88/33/30/588883330.db2.gz AVHLSIDUVFLOSA-GXSJLCMTSA-N 1 2 241.722 0.888 20 0 BCADLO COCC[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893672561 583194256 /nfs/dbraw/zinc/19/42/56/583194256.db2.gz BBULNJQURLDEIH-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO COCC[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893672561 583194257 /nfs/dbraw/zinc/19/42/57/583194257.db2.gz BBULNJQURLDEIH-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO Cn1cc(C[NH+]2CC(C)(C(N)=O)C2)c(Cl)n1 ZINC000857048762 588884310 /nfs/dbraw/zinc/88/43/10/588884310.db2.gz ACVQLQQSKHNVTM-UHFFFAOYSA-N 1 2 242.710 0.381 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000893917472 583246982 /nfs/dbraw/zinc/24/69/82/583246982.db2.gz VWYLUDWLIXPIPD-CIUDSAMLSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CCO[C@@H](C)C2)C1(F)F ZINC000893917472 583246985 /nfs/dbraw/zinc/24/69/85/583246985.db2.gz VWYLUDWLIXPIPD-CIUDSAMLSA-N 1 2 249.257 0.761 20 0 BCADLO CC(C)c1c[nH]c(CN(C)CC(N)=O)[nH+]1 ZINC000893926655 583248914 /nfs/dbraw/zinc/24/89/14/583248914.db2.gz WPTMWTVPVIWTGH-UHFFFAOYSA-N 1 2 210.281 0.450 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1c(C)ccnc1N ZINC000893939729 583255372 /nfs/dbraw/zinc/25/53/72/583255372.db2.gz GKVUDMKCPHWLLK-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1c(C)ccnc1N ZINC000893939729 583255374 /nfs/dbraw/zinc/25/53/74/583255374.db2.gz GKVUDMKCPHWLLK-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCCNC(=O)C1 ZINC000893975889 583264644 /nfs/dbraw/zinc/26/46/44/583264644.db2.gz KAPQQPQKDMPBLG-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1ncoc1C[N@H+]1CCCNC(=O)C1 ZINC000893975889 583264648 /nfs/dbraw/zinc/26/46/48/583264648.db2.gz KAPQQPQKDMPBLG-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H](O)CC2)nc[nH+]1 ZINC000894000114 583271533 /nfs/dbraw/zinc/27/15/33/583271533.db2.gz IKCJQCIGXDWLMJ-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H](O)CC2)[nH+]cn1 ZINC000894000114 583271534 /nfs/dbraw/zinc/27/15/34/583271534.db2.gz IKCJQCIGXDWLMJ-SNVBAGLBSA-N 1 2 236.319 0.894 20 0 BCADLO CNc1cc(N2CC[C@](O)(C(F)F)C2)nc[nH+]1 ZINC000894047562 583287979 /nfs/dbraw/zinc/28/79/79/583287979.db2.gz CZXQTVFAIXZAGH-SNVBAGLBSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC(C)(CO)C2)nc[nH+]1 ZINC000894078901 583297220 /nfs/dbraw/zinc/29/72/20/583297220.db2.gz OBCUAFBQVZTTBE-UHFFFAOYSA-N 1 2 208.265 0.337 20 0 BCADLO CNc1cc(N2CC(C)(CO)C2)[nH+]cn1 ZINC000894078901 583297222 /nfs/dbraw/zinc/29/72/22/583297222.db2.gz OBCUAFBQVZTTBE-UHFFFAOYSA-N 1 2 208.265 0.337 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccon1 ZINC000332863765 583303729 /nfs/dbraw/zinc/30/37/29/583303729.db2.gz IRPCVDOJWBOAFQ-ZJUUUORDSA-N 1 2 221.260 0.528 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccon1 ZINC000332863765 583303732 /nfs/dbraw/zinc/30/37/32/583303732.db2.gz IRPCVDOJWBOAFQ-ZJUUUORDSA-N 1 2 221.260 0.528 20 0 BCADLO CCO[C@@H]1COC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000894112275 583308711 /nfs/dbraw/zinc/30/87/11/583308711.db2.gz AMWWBROTDHUFPE-RKDXNWHRSA-N 1 2 238.291 0.734 20 0 BCADLO CCO[C@@H]1COC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000894112275 583308712 /nfs/dbraw/zinc/30/87/12/583308712.db2.gz AMWWBROTDHUFPE-RKDXNWHRSA-N 1 2 238.291 0.734 20 0 BCADLO Cn1c[nH+]c(CCNc2cnc(CO)cn2)c1 ZINC000894151560 583318847 /nfs/dbraw/zinc/31/88/47/583318847.db2.gz QFGLRGZDFYDSBG-UHFFFAOYSA-N 1 2 233.275 0.357 20 0 BCADLO Cc1ccnc(N)c1C[NH2+]Cc1cc[nH]n1 ZINC000894166249 583323864 /nfs/dbraw/zinc/32/38/64/583323864.db2.gz WPRDJNQRMJGNCQ-UHFFFAOYSA-N 1 2 217.276 0.985 20 0 BCADLO CN(C)c1cc(N2CCO[C@H](CF)C2)nc[nH+]1 ZINC000894182043 583330148 /nfs/dbraw/zinc/33/01/48/583330148.db2.gz WXXQPFJBMTZLSB-SECBINFHSA-N 1 2 240.282 0.717 20 0 BCADLO CN(C)c1cc(N2CCO[C@H](CF)C2)[nH+]cn1 ZINC000894182043 583330150 /nfs/dbraw/zinc/33/01/50/583330150.db2.gz WXXQPFJBMTZLSB-SECBINFHSA-N 1 2 240.282 0.717 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@]12C[C@H]1COC2 ZINC000894195400 583334589 /nfs/dbraw/zinc/33/45/89/583334589.db2.gz ZDSYLJXUURGTBJ-ONGXEEELSA-N 1 2 221.260 0.178 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726252398 583343287 /nfs/dbraw/zinc/34/32/87/583343287.db2.gz GPWJGWOGOLTOMQ-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726252398 583343288 /nfs/dbraw/zinc/34/32/88/583343288.db2.gz GPWJGWOGOLTOMQ-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1C[C@@H](OC)C1)C(=O)OC ZINC000878332852 583370623 /nfs/dbraw/zinc/37/06/23/583370623.db2.gz KIAMCNJGTDJEBF-UMNHJUIQSA-N 1 2 245.319 0.579 20 0 BCADLO C[C@@]1([NH2+]C[C@H]2CCc3ncnn32)CCOC1=O ZINC000878633243 583387428 /nfs/dbraw/zinc/38/74/28/583387428.db2.gz WKIGOIZJNSGNDZ-LDYMZIIASA-N 1 2 236.275 0.061 20 0 BCADLO CC(C)(C)N1C[C@@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000894325884 583423409 /nfs/dbraw/zinc/42/34/09/583423409.db2.gz LULYUFLZRTYGMR-VIFPVBQESA-N 1 2 236.319 0.899 20 0 BCADLO Cc1ncoc1CN[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000894345218 583430421 /nfs/dbraw/zinc/43/04/21/583430421.db2.gz FLZLMHBJAICYJD-JQWIXIFHSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncoc1CN[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000894345218 583430426 /nfs/dbraw/zinc/43/04/26/583430426.db2.gz FLZLMHBJAICYJD-JQWIXIFHSA-N 1 2 239.319 0.792 20 0 BCADLO C[C@H](C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000748145153 583433560 /nfs/dbraw/zinc/43/35/60/583433560.db2.gz WPUWRNGMBYOFHK-JTQLQIEISA-N 1 2 227.304 0.908 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)[C@H](C)[C@@H](C)O1 ZINC000857235137 588899020 /nfs/dbraw/zinc/89/90/20/588899020.db2.gz OULAEYRNCBAJFJ-OPRDCNLKSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)[C@H](C)[C@@H](C)O1 ZINC000857235137 588899021 /nfs/dbraw/zinc/89/90/21/588899021.db2.gz OULAEYRNCBAJFJ-OPRDCNLKSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@H]1CC[N@H+](CN2CCC2=O)C[C@@H]1F ZINC000857235086 588899246 /nfs/dbraw/zinc/89/92/46/588899246.db2.gz YPBMQMZPSUGEAT-IUCAKERBSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CCC2=O)C[C@@H]1F ZINC000857235086 588899248 /nfs/dbraw/zinc/89/92/48/588899248.db2.gz YPBMQMZPSUGEAT-IUCAKERBSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1CC[N@H+](CN2CCC2=O)C[C@H]1F ZINC000857235085 588899478 /nfs/dbraw/zinc/89/94/78/588899478.db2.gz YPBMQMZPSUGEAT-DTWKUNHWSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CCC2=O)C[C@H]1F ZINC000857235085 588899479 /nfs/dbraw/zinc/89/94/79/588899479.db2.gz YPBMQMZPSUGEAT-DTWKUNHWSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H](CCO)N(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894410369 583450898 /nfs/dbraw/zinc/45/08/98/583450898.db2.gz YLEGDSOHLZHIKR-ZETCQYMHSA-N 1 2 237.307 0.538 20 0 BCADLO C[C@@H](CCO)N(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894410369 583450899 /nfs/dbraw/zinc/45/08/99/583450899.db2.gz YLEGDSOHLZHIKR-ZETCQYMHSA-N 1 2 237.307 0.538 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](O)COC ZINC000879983174 583453189 /nfs/dbraw/zinc/45/31/89/583453189.db2.gz VQFDTLQFWNPRGF-QWRGUYRKSA-N 1 2 245.319 0.315 20 0 BCADLO Cc1cc(F)ncc1C[NH2+]Cc1cnn(C)n1 ZINC000894443189 583460313 /nfs/dbraw/zinc/46/03/13/583460313.db2.gz MZSNVOCAYKKPKR-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000894451847 583463231 /nfs/dbraw/zinc/46/32/31/583463231.db2.gz VSKCCQPKNNUQIM-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000894465124 583465363 /nfs/dbraw/zinc/46/53/63/583465363.db2.gz SYKHLVNLIFULIU-ZCFIWIBFSA-N 1 2 248.124 0.985 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000894542845 583481696 /nfs/dbraw/zinc/48/16/96/583481696.db2.gz PUIFDYVJHWDJGX-UHFFFAOYSA-N 1 2 238.291 0.648 20 0 BCADLO CN(C[C@H]1COCCO1)c1nccn2c[nH+]cc12 ZINC000894545062 583481848 /nfs/dbraw/zinc/48/18/48/583481848.db2.gz NQWDXWFXTRXWNN-JTQLQIEISA-N 1 2 248.286 0.581 20 0 BCADLO Nc1nc(N2CC[C@@]3(O)C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000894566670 583485212 /nfs/dbraw/zinc/48/52/12/583485212.db2.gz SECSJXSWFGUUGT-QPUJVOFHSA-N 1 2 247.302 0.292 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000894566670 583485214 /nfs/dbraw/zinc/48/52/14/583485214.db2.gz SECSJXSWFGUUGT-QPUJVOFHSA-N 1 2 247.302 0.292 20 0 BCADLO CNc1cc(N2CCC[C@@H]2[C@H](C)O)nc[nH+]1 ZINC000894572523 583485843 /nfs/dbraw/zinc/48/58/43/583485843.db2.gz KWWPEYCAUYCQHS-DTWKUNHWSA-N 1 2 222.292 0.868 20 0 BCADLO CNc1cc(N2CCC[C@@H]2[C@H](C)O)[nH+]cn1 ZINC000894572523 583485844 /nfs/dbraw/zinc/48/58/44/583485844.db2.gz KWWPEYCAUYCQHS-DTWKUNHWSA-N 1 2 222.292 0.868 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1C ZINC000894592970 583492407 /nfs/dbraw/zinc/49/24/07/583492407.db2.gz NITCEZLRURPWHQ-CYBMUJFWSA-N 1 2 248.330 0.739 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1C ZINC000894592970 583492409 /nfs/dbraw/zinc/49/24/09/583492409.db2.gz NITCEZLRURPWHQ-CYBMUJFWSA-N 1 2 248.330 0.739 20 0 BCADLO c1nc2n(c1C[NH+]1CC3(C1)CCOC3)CCOC2 ZINC000894648444 583500359 /nfs/dbraw/zinc/50/03/59/583500359.db2.gz DRCZTFJIYOMPIO-UHFFFAOYSA-N 1 2 249.314 0.636 20 0 BCADLO CC[N@H+](Cc1[nH]nc(C)c1C)[C@@H]1CCNC1=O ZINC000894662215 583500875 /nfs/dbraw/zinc/50/08/75/583500875.db2.gz IRIGACARDUAAAM-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO CC[N@@H+](Cc1[nH]nc(C)c1C)[C@@H]1CCNC1=O ZINC000894662215 583500877 /nfs/dbraw/zinc/50/08/77/583500877.db2.gz IRIGACARDUAAAM-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1ccnc(N)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000894686574 583506908 /nfs/dbraw/zinc/50/69/08/583506908.db2.gz SJPMSCQUHWLHPQ-LBPRGKRZSA-N 1 2 239.294 0.879 20 0 BCADLO Cc1ccnc(N)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000894686574 583506909 /nfs/dbraw/zinc/50/69/09/583506909.db2.gz SJPMSCQUHWLHPQ-LBPRGKRZSA-N 1 2 239.294 0.879 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894695603 583509679 /nfs/dbraw/zinc/50/96/79/583509679.db2.gz QDXPDTDHUPRDJY-VXNVDRBHSA-N 1 2 208.265 0.628 20 0 BCADLO C[C@@H](O)c1cccc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]1 ZINC000894730921 583513476 /nfs/dbraw/zinc/51/34/76/583513476.db2.gz KRJYMYPLWNKLFI-IWSPIJDZSA-N 1 2 235.287 0.811 20 0 BCADLO CNc1cc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]cn1 ZINC000894731314 583513724 /nfs/dbraw/zinc/51/37/24/583513724.db2.gz PBBYHBFGZZWFCX-LJGSYFOKSA-N 1 2 221.264 0.194 20 0 BCADLO COC(=O)c1cnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000894770095 583516912 /nfs/dbraw/zinc/51/69/12/583516912.db2.gz KAVCLGRTOFOKML-SSDOTTSWSA-N 1 2 244.316 0.742 20 0 BCADLO COC(=O)c1cnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000894770095 583516914 /nfs/dbraw/zinc/51/69/14/583516914.db2.gz KAVCLGRTOFOKML-SSDOTTSWSA-N 1 2 244.316 0.742 20 0 BCADLO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000894778785 583519837 /nfs/dbraw/zinc/51/98/37/583519837.db2.gz SJPHLHYYEVGJNP-HLTSFMKQSA-N 1 2 215.293 0.830 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@H]1CC[C@H]1C1CC1)CC2 ZINC000894811203 583523331 /nfs/dbraw/zinc/52/33/31/583523331.db2.gz WIHVTHWEIKRXHQ-JQWIXIFHSA-N 1 2 248.330 0.775 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@H]1CC[C@H]1C1CC1)CC2 ZINC000894811203 583523332 /nfs/dbraw/zinc/52/33/32/583523332.db2.gz WIHVTHWEIKRXHQ-JQWIXIFHSA-N 1 2 248.330 0.775 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@@H]1CCCC13CC3)CC2 ZINC000894810641 583523603 /nfs/dbraw/zinc/52/36/03/583523603.db2.gz VEWBMQBBTWLPMU-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@@H]1CCCC13CC3)CC2 ZINC000894810641 583523605 /nfs/dbraw/zinc/52/36/05/583523605.db2.gz VEWBMQBBTWLPMU-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CC[C@@H]1CC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894807199 583523657 /nfs/dbraw/zinc/52/36/57/583523657.db2.gz WFRKXPKCRFNCAE-KOLCDFICSA-N 1 2 236.319 0.775 20 0 BCADLO CC[C@@H]1CC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894807199 583523658 /nfs/dbraw/zinc/52/36/58/583523658.db2.gz WFRKXPKCRFNCAE-KOLCDFICSA-N 1 2 236.319 0.775 20 0 BCADLO Cn1nc2c(c1C[NH+]1CC(C)(O)C1)CCC2 ZINC000894830913 583527709 /nfs/dbraw/zinc/52/77/09/583527709.db2.gz OXNSVWZBFIWRNT-UHFFFAOYSA-N 1 2 221.304 0.475 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000894860294 583534789 /nfs/dbraw/zinc/53/47/89/583534789.db2.gz JNJGBBCMTRUQLH-YUMQZZPRSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000894860294 583534792 /nfs/dbraw/zinc/53/47/92/583534792.db2.gz JNJGBBCMTRUQLH-YUMQZZPRSA-N 1 2 244.316 0.767 20 0 BCADLO CC1(C)COC[C@H]1[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000894871431 583539747 /nfs/dbraw/zinc/53/97/47/583539747.db2.gz UOKJQAUXDKCCSA-MNOVXSKESA-N 1 2 249.314 0.623 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C[C@H]1CO ZINC000880486916 583544789 /nfs/dbraw/zinc/54/47/89/583544789.db2.gz QRFMKUUESCQYGF-NSHDSACASA-N 1 2 247.360 0.432 20 0 BCADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C[C@H]1CO ZINC000880486916 583544791 /nfs/dbraw/zinc/54/47/91/583544791.db2.gz QRFMKUUESCQYGF-NSHDSACASA-N 1 2 247.360 0.432 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1C ZINC000894913688 583554544 /nfs/dbraw/zinc/55/45/44/583554544.db2.gz CEEJBTFRYHBCTI-MWLCHTKSSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1C ZINC000894913688 583554545 /nfs/dbraw/zinc/55/45/45/583554545.db2.gz CEEJBTFRYHBCTI-MWLCHTKSSA-N 1 2 209.293 0.982 20 0 BCADLO CC(C)OC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000894967944 583560719 /nfs/dbraw/zinc/56/07/19/583560719.db2.gz SCTPSZKPXWJIIV-UHFFFAOYSA-N 1 2 247.302 0.977 20 0 BCADLO CC[C@](C)(C[NH2+][C@@](C)(CO)C(=O)OC)OC ZINC000894972230 583561224 /nfs/dbraw/zinc/56/12/24/583561224.db2.gz NQXAPLWETHWFRW-MNOVXSKESA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@@](C)(CO)NCc1[nH]c(C)c(C)[nH+]1 ZINC000894971823 583561403 /nfs/dbraw/zinc/56/14/03/583561403.db2.gz IGKNMHPQWZTNSP-LLVKDONJSA-N 1 2 241.291 0.040 20 0 BCADLO CCC[C@@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000894975372 583561806 /nfs/dbraw/zinc/56/18/06/583561806.db2.gz LPQKQVUFLFJXRQ-KOLCDFICSA-N 1 2 217.309 0.936 20 0 BCADLO CNC(=O)C1C[NH+](Cc2[nH]nc(C)c2C)C1 ZINC000894979489 583563204 /nfs/dbraw/zinc/56/32/04/583563204.db2.gz UEZMZMQXTZLHEU-UHFFFAOYSA-N 1 2 222.292 0.204 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894978513 583563493 /nfs/dbraw/zinc/56/34/93/583563493.db2.gz YRWKRQXUUCZGNP-BDAKNGLRSA-N 1 2 240.307 0.643 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1ocnc1C ZINC000895046280 583572458 /nfs/dbraw/zinc/57/24/58/583572458.db2.gz HFKXPYHIDOCKPZ-UHFFFAOYSA-N 1 2 213.237 0.092 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1[nH+]ccn1C ZINC000895113410 583591141 /nfs/dbraw/zinc/59/11/41/583591141.db2.gz JKVVHEBXCUDRNW-AEJSXWLSSA-N 1 2 236.319 0.517 20 0 BCADLO CC[C@@H](C[NH2+]Cc1ccn[nH]1)C(=O)OC ZINC000895120023 583593364 /nfs/dbraw/zinc/59/33/64/583593364.db2.gz KKRFGHOTCWPFFI-QMMMGPOBSA-N 1 2 211.265 0.699 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000895179779 583617426 /nfs/dbraw/zinc/61/74/26/583617426.db2.gz SIFABIXLZMMFFX-ACZUWMGVSA-N 1 2 241.312 0.993 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000895179779 583617427 /nfs/dbraw/zinc/61/74/27/583617427.db2.gz SIFABIXLZMMFFX-ACZUWMGVSA-N 1 2 241.312 0.993 20 0 BCADLO Cc1cc[nH+]c(N)c1CN(C)Cc1cn(C)nn1 ZINC000895277521 583635729 /nfs/dbraw/zinc/63/57/29/583635729.db2.gz HONNGIWGGYLQTF-UHFFFAOYSA-N 1 2 246.318 0.733 20 0 BCADLO CCn1ncnc1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895301223 583642548 /nfs/dbraw/zinc/64/25/48/583642548.db2.gz HHUAXFVFWNTIQB-VIFPVBQESA-N 1 2 223.280 0.552 20 0 BCADLO CC1=NO[C@H](C[NH2+]Cc2csnn2)C1 ZINC000895308640 583646733 /nfs/dbraw/zinc/64/67/33/583646733.db2.gz NZEHYEBMUGVJML-QMMMGPOBSA-N 1 2 212.278 0.793 20 0 BCADLO Cn1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)n1 ZINC000895315421 583648047 /nfs/dbraw/zinc/64/80/47/583648047.db2.gz GTBMVXHLMAIOAV-VIFPVBQESA-N 1 2 222.292 0.034 20 0 BCADLO c1cc2c(cn1)CN(CC[NH+]1CCOCC1)C2 ZINC000857877829 588918666 /nfs/dbraw/zinc/91/86/66/588918666.db2.gz PUCBSWBEJTUVPE-UHFFFAOYSA-N 1 2 233.315 0.729 20 0 BCADLO c1cc2c(cn1)C[N@H+](CCN1CCOCC1)C2 ZINC000857877829 588918668 /nfs/dbraw/zinc/91/86/68/588918668.db2.gz PUCBSWBEJTUVPE-UHFFFAOYSA-N 1 2 233.315 0.729 20 0 BCADLO c1cc2c(cn1)C[N@@H+](CCN1CCOCC1)C2 ZINC000857877829 588918670 /nfs/dbraw/zinc/91/86/70/588918670.db2.gz PUCBSWBEJTUVPE-UHFFFAOYSA-N 1 2 233.315 0.729 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC2(C)C)[nH]c1C ZINC000895322232 583649798 /nfs/dbraw/zinc/64/97/98/583649798.db2.gz SLJQNCXOYWQNCP-JTQLQIEISA-N 1 2 236.319 0.641 20 0 BCADLO Cc1[nH]c(CN[C@H]2C(=O)NCC2(C)C)[nH+]c1C ZINC000895322232 583649800 /nfs/dbraw/zinc/64/98/00/583649800.db2.gz SLJQNCXOYWQNCP-JTQLQIEISA-N 1 2 236.319 0.641 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000895330346 583653041 /nfs/dbraw/zinc/65/30/41/583653041.db2.gz LHSLGLKLXCEDAF-MNOVXSKESA-N 1 2 225.292 0.036 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000895330346 583653040 /nfs/dbraw/zinc/65/30/40/583653040.db2.gz LHSLGLKLXCEDAF-MNOVXSKESA-N 1 2 225.292 0.036 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000895381208 583662512 /nfs/dbraw/zinc/66/25/12/583662512.db2.gz ZLRNNTXZXFAXBG-JGVFFNPUSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000895381208 583662514 /nfs/dbraw/zinc/66/25/14/583662514.db2.gz ZLRNNTXZXFAXBG-JGVFFNPUSA-N 1 2 224.264 0.236 20 0 BCADLO O=C1NCCN1CC[N@@H+]1Cc2ccncc2C1 ZINC000857879943 588919667 /nfs/dbraw/zinc/91/96/67/588919667.db2.gz WNOZUOZHPPJFJH-UHFFFAOYSA-N 1 2 232.287 0.422 20 0 BCADLO O=C1NCCN1CC[N@H+]1Cc2ccncc2C1 ZINC000857879943 588919668 /nfs/dbraw/zinc/91/96/68/588919668.db2.gz WNOZUOZHPPJFJH-UHFFFAOYSA-N 1 2 232.287 0.422 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1ocnc1C ZINC000895389822 583664338 /nfs/dbraw/zinc/66/43/38/583664338.db2.gz HKPDULLDJFXZGQ-UHFFFAOYSA-N 1 2 241.291 0.873 20 0 BCADLO CC[C@@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396817 583664532 /nfs/dbraw/zinc/66/45/32/583664532.db2.gz CSCHZBFVYJUKEL-MRVPVSSYSA-N 1 2 205.323 0.761 20 0 BCADLO CC[C@@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396817 583664533 /nfs/dbraw/zinc/66/45/33/583664533.db2.gz CSCHZBFVYJUKEL-MRVPVSSYSA-N 1 2 205.323 0.761 20 0 BCADLO CC[C@@H](C)[C@@H](C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398847 583666154 /nfs/dbraw/zinc/66/61/54/583666154.db2.gz FDHOAQWGMRYWFJ-MWLCHTKSSA-N 1 2 249.376 0.776 20 0 BCADLO CC[C@@H](C)[C@@H](C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398847 583666155 /nfs/dbraw/zinc/66/61/55/583666155.db2.gz FDHOAQWGMRYWFJ-MWLCHTKSSA-N 1 2 249.376 0.776 20 0 BCADLO Cc1coc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000895411562 583666781 /nfs/dbraw/zinc/66/67/81/583666781.db2.gz PVSKVQPXFHRTIT-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1coc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000895411562 583666784 /nfs/dbraw/zinc/66/67/84/583666784.db2.gz PVSKVQPXFHRTIT-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(F)CC1 ZINC000857884114 588920385 /nfs/dbraw/zinc/92/03/85/588920385.db2.gz CEHYACJPYYHSCK-SSDOTTSWSA-N 1 2 209.224 0.426 20 0 BCADLO O=C(C[C@H]1CCCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885184 588920633 /nfs/dbraw/zinc/92/06/33/588920633.db2.gz LMOHDJBZHIAHGI-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO c1nc(C[NH2+]C2CN(c3ccncn3)C2)c[nH]1 ZINC000895449269 583676117 /nfs/dbraw/zinc/67/61/17/583676117.db2.gz FYEJNMUBHNHHLH-UHFFFAOYSA-N 1 2 230.275 0.178 20 0 BCADLO O=C(/C=C\[C@@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884637 588920676 /nfs/dbraw/zinc/92/06/76/588920676.db2.gz DSSIDQOMVKTILL-OVVPUXAQSA-N 1 2 247.298 0.517 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCO1 ZINC000857885660 588920708 /nfs/dbraw/zinc/92/07/08/588920708.db2.gz YJWGXUVYAXPFET-ZWNOBZJWSA-N 1 2 249.314 0.883 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885604 588920816 /nfs/dbraw/zinc/92/08/16/588920816.db2.gz XFYHUGGJUAPSHG-OTVCUZDGSA-N 1 2 235.287 0.517 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890668 588920960 /nfs/dbraw/zinc/92/09/60/588920960.db2.gz YGSJSBKKEVMLPT-MRVPVSSYSA-N 1 2 235.287 0.539 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc2c1OCC2 ZINC000895473825 583679578 /nfs/dbraw/zinc/67/95/78/583679578.db2.gz RXKFGSKCYLBTOK-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC000895473825 583679579 /nfs/dbraw/zinc/67/95/79/583679579.db2.gz RXKFGSKCYLBTOK-UHFFFAOYSA-N 1 2 234.299 0.799 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnsn1 ZINC000857887454 588921043 /nfs/dbraw/zinc/92/10/43/588921043.db2.gz LCUGWIWWSKCKJW-ZCFIWIBFSA-N 1 2 235.272 0.089 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccnc(F)c1 ZINC000857886980 588921105 /nfs/dbraw/zinc/92/11/05/588921105.db2.gz GOAUUSZBXHPIHV-SECBINFHSA-N 1 2 246.245 0.772 20 0 BCADLO O=Cc1c[nH]c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000857885995 588921238 /nfs/dbraw/zinc/92/12/38/588921238.db2.gz RMZSLIYQIPMXGF-VIFPVBQESA-N 1 2 244.254 0.378 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887926 588921244 /nfs/dbraw/zinc/92/12/44/588921244.db2.gz WNKJHXKIPALYFR-WCBMZHEXSA-N 1 2 225.267 0.918 20 0 BCADLO O=C(C[C@H]1CCCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890289 588921465 /nfs/dbraw/zinc/92/14/65/588921465.db2.gz SUJYBWFOFZZETQ-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C)COC(C)=O)n1 ZINC000895559572 583691324 /nfs/dbraw/zinc/69/13/24/583691324.db2.gz CAHUOCOIBGSYJG-MRVPVSSYSA-N 1 2 226.280 0.339 20 0 BCADLO Cn1ncnc1C1(O)C[NH+](Cc2ccccc2)C1 ZINC000895620904 583697005 /nfs/dbraw/zinc/69/70/05/583697005.db2.gz OGOSDXGTDDERPX-UHFFFAOYSA-N 1 2 244.298 0.519 20 0 BCADLO CC(C)CCC[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619493 583697057 /nfs/dbraw/zinc/69/70/57/583697057.db2.gz ZLRPUNZTCBQJIR-UHFFFAOYSA-N 1 2 238.335 0.755 20 0 BCADLO COc1cnc(F)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895645383 583700598 /nfs/dbraw/zinc/70/05/98/583700598.db2.gz PYNKRJWKHRUUTF-CABZTGNLSA-N 1 2 238.262 0.796 20 0 BCADLO COc1cnc(F)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895645383 583700599 /nfs/dbraw/zinc/70/05/99/583700599.db2.gz PYNKRJWKHRUUTF-CABZTGNLSA-N 1 2 238.262 0.796 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000895654222 583701090 /nfs/dbraw/zinc/70/10/90/583701090.db2.gz QFEMOROZEGAHQJ-PSASIEDQSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000895654222 583701091 /nfs/dbraw/zinc/70/10/91/583701091.db2.gz QFEMOROZEGAHQJ-PSASIEDQSA-N 1 2 227.695 0.640 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000857941451 588924472 /nfs/dbraw/zinc/92/44/72/588924472.db2.gz HFGQBGOATTXAHJ-KOLCDFICSA-N 1 2 248.286 0.479 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H](OC)C1)[C@@H](C)O ZINC000895743895 583716241 /nfs/dbraw/zinc/71/62/41/583716241.db2.gz OXCGHMPUJGIROA-ZNSHCXBVSA-N 1 2 245.319 0.456 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000895758987 583721301 /nfs/dbraw/zinc/72/13/01/583721301.db2.gz RYQWUGDYJPYDTK-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH2+][C@H]1CCOC1=O)OC ZINC000895808134 583732604 /nfs/dbraw/zinc/73/26/04/583732604.db2.gz AWKFOSBUCZLITM-KXUCPTDWSA-N 1 2 215.293 0.953 20 0 BCADLO CCO/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944329 588924901 /nfs/dbraw/zinc/92/49/01/588924901.db2.gz LFBFPYNYPLBASN-AYYIZTPMSA-N 1 2 235.287 0.864 20 0 BCADLO COC[C@H](CC(C)C)[NH2+][C@H]1CCOC1=O ZINC000895804667 583732226 /nfs/dbraw/zinc/73/22/26/583732226.db2.gz UIFIVIJBRIIBOP-UWVGGRQHSA-N 1 2 215.293 0.953 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984334 588925672 /nfs/dbraw/zinc/92/56/72/588925672.db2.gz BNWYCYRIVMJJHR-FXPVBKGRSA-N 1 2 235.287 0.869 20 0 BCADLO C[C@@H]1C[C@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000727701992 583740323 /nfs/dbraw/zinc/74/03/23/583740323.db2.gz NQXVXDJYMJZIKH-NXEZZACHSA-N 1 2 243.376 0.191 20 0 BCADLO CCN1CCC[C@@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000895899724 583740908 /nfs/dbraw/zinc/74/09/08/583740908.db2.gz QIRSQFGLOUOQRZ-LLVKDONJSA-N 1 2 249.314 0.997 20 0 BCADLO Cc1nonc1NC(=O)CCCn1cc[nH+]c1 ZINC000727709261 583745892 /nfs/dbraw/zinc/74/58/92/583745892.db2.gz AXGNJRBFJHWRCK-UHFFFAOYSA-N 1 2 235.247 0.993 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cncnc2)[C@@H](C)C(=O)N1C ZINC000895920717 583746892 /nfs/dbraw/zinc/74/68/92/583746892.db2.gz LSVILNCVYVZUJV-MXWKQRLJSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cncnc2)[C@@H](C)C(=O)N1C ZINC000895920717 583746894 /nfs/dbraw/zinc/74/68/94/583746894.db2.gz LSVILNCVYVZUJV-MXWKQRLJSA-N 1 2 248.330 0.916 20 0 BCADLO Nc1nc(Cl)cc(N2CCOCN2)[nH+]1 ZINC000895923824 583747368 /nfs/dbraw/zinc/74/73/68/583747368.db2.gz LUFSOJXGJGMEKN-UHFFFAOYSA-N 1 2 215.644 0.011 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(=O)[nH]cn1 ZINC000857974293 588926281 /nfs/dbraw/zinc/92/62/81/588926281.db2.gz FWIGWNBKFBYBRI-SSDOTTSWSA-N 1 2 245.242 0.254 20 0 BCADLO Cc1ccn(CC(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857976574 588926333 /nfs/dbraw/zinc/92/63/33/588926333.db2.gz HHDQCAHAZATZEP-SNVBAGLBSA-N 1 2 245.286 0.649 20 0 BCADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)nn1 ZINC000857976424 588926401 /nfs/dbraw/zinc/92/64/01/588926401.db2.gz DJYCKYYARCPLAF-VIFPVBQESA-N 1 2 243.270 0.856 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000895953879 583752015 /nfs/dbraw/zinc/75/20/15/583752015.db2.gz RTKWDUDLAGIFGY-SNVBAGLBSA-N 1 2 234.303 0.842 20 0 BCADLO CCn1c[nH+]cc1CN1CCO[C@H](OC)C1 ZINC000895964558 583753616 /nfs/dbraw/zinc/75/36/16/583753616.db2.gz XZFRXNUMSWLKTQ-NSHDSACASA-N 1 2 225.292 0.708 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H](O)C1CCC1 ZINC000857977367 588926727 /nfs/dbraw/zinc/92/67/27/588926727.db2.gz CUFHURFQBFYDBG-KOLCDFICSA-N 1 2 235.287 0.605 20 0 BCADLO CCn1nncc1C[NH+]1CC(COC)C1 ZINC000895974577 583757123 /nfs/dbraw/zinc/75/71/23/583757123.db2.gz HIDRZRYYQCRSCB-UHFFFAOYSA-N 1 2 210.281 0.376 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2ccoc2)CS1(=O)=O ZINC000895977520 583757710 /nfs/dbraw/zinc/75/77/10/583757710.db2.gz HCWAGGMLAYUDKQ-VIFPVBQESA-N 1 2 229.301 0.945 20 0 BCADLO Cc1c[nH]c(CN[C@H]2CS(=O)(=O)C2(C)C)[nH+]1 ZINC000895984935 583759126 /nfs/dbraw/zinc/75/91/26/583759126.db2.gz GUZBMZCOWCORMD-QMMMGPOBSA-N 1 2 243.332 0.383 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CC(=O)C1 ZINC000857981085 588927149 /nfs/dbraw/zinc/92/71/49/588927149.db2.gz XBLNXGFKMXGOPS-SECBINFHSA-N 1 2 219.244 0.423 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ncccc1O ZINC000857980908 588927198 /nfs/dbraw/zinc/92/71/98/588927198.db2.gz SIMOPNZOUZWGOZ-QMMMGPOBSA-N 1 2 244.254 0.859 20 0 BCADLO Cc1nn(C)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000896020427 583764163 /nfs/dbraw/zinc/76/41/63/583764163.db2.gz ALJHQIQKVREYDN-KWQFWETISA-N 1 2 241.722 0.949 20 0 BCADLO Cc1nn(C)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000896020427 583764164 /nfs/dbraw/zinc/76/41/64/583764164.db2.gz ALJHQIQKVREYDN-KWQFWETISA-N 1 2 241.722 0.949 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983048 588927913 /nfs/dbraw/zinc/92/79/13/588927913.db2.gz VJVPBBXQAJEPIV-BDAKNGLRSA-N 1 2 223.276 0.463 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCOC1 ZINC000857981691 588928221 /nfs/dbraw/zinc/92/82/21/588928221.db2.gz IOTCMYSWZZPLLW-JOYOIKCWSA-N 1 2 235.287 0.871 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983431 588928475 /nfs/dbraw/zinc/92/84/75/588928475.db2.gz RRRBXCONMJCLTJ-PSASIEDQSA-N 1 2 237.303 0.851 20 0 BCADLO CCc1cc(NCC(=O)NOC)nc(C)[nH+]1 ZINC000896195484 583782430 /nfs/dbraw/zinc/78/24/30/583782430.db2.gz LGOLXUUAZXRWLA-UHFFFAOYSA-N 1 2 224.264 0.437 20 0 BCADLO CCCOCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986556 588929174 /nfs/dbraw/zinc/92/91/74/588929174.db2.gz WNHMDHIDLXPLOY-SECBINFHSA-N 1 2 223.276 0.871 20 0 BCADLO COCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985518 588929329 /nfs/dbraw/zinc/92/93/29/588929329.db2.gz OQSYYYIRJNQMLK-QMMMGPOBSA-N 1 2 209.249 0.481 20 0 BCADLO CCOCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989356 588929344 /nfs/dbraw/zinc/92/93/44/588929344.db2.gz QBURAEPVBPCFKG-MRVPVSSYSA-N 1 2 209.249 0.481 20 0 BCADLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cnn1C ZINC000857988003 588929475 /nfs/dbraw/zinc/92/94/75/588929475.db2.gz AJJQTBNRWRURTI-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO COC1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896322474 583790139 /nfs/dbraw/zinc/79/01/39/583790139.db2.gz FGFJJGJAULYRHJ-UHFFFAOYSA-N 1 2 237.303 0.784 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cnccn1 ZINC000857991174 588929711 /nfs/dbraw/zinc/92/97/11/588929711.db2.gz VLWWRERSSAPSAP-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO CCOC(=O)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989886 588929931 /nfs/dbraw/zinc/92/99/31/588929931.db2.gz RDVROIJFKVKMGF-MRVPVSSYSA-N 1 2 237.259 0.397 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000896358395 583796634 /nfs/dbraw/zinc/79/66/34/583796634.db2.gz UWBZOQUTKCVQAP-MWLCHTKSSA-N 1 2 235.287 0.691 20 0 BCADLO Fc1c[nH+]ccc1NCCO[C@H]1CCOC1 ZINC000896474481 583805289 /nfs/dbraw/zinc/80/52/89/583805289.db2.gz WBBNGMDLWVGUFS-VIFPVBQESA-N 1 2 226.251 0.860 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H](C)O)CCN2 ZINC000857998917 588930703 /nfs/dbraw/zinc/93/07/03/588930703.db2.gz LXQPJFPMVSAYAF-QMMMGPOBSA-N 1 2 221.260 0.529 20 0 BCADLO COC/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942600 588924566 /nfs/dbraw/zinc/92/45/66/588924566.db2.gz CPETVFDQGOOCRH-ZMWSMAPVSA-N 1 2 235.287 0.517 20 0 BCADLO C[C@@H](NC(=O)C1(C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557510 583812466 /nfs/dbraw/zinc/81/24/66/583812466.db2.gz VABXCZBRURZAFY-MNOVXSKESA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)C1(C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557510 583812467 /nfs/dbraw/zinc/81/24/67/583812467.db2.gz VABXCZBRURZAFY-MNOVXSKESA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896571472 583813527 /nfs/dbraw/zinc/81/35/27/583813527.db2.gz KBAGYKRXZCPDOY-WDEREUQCSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000896571472 583813529 /nfs/dbraw/zinc/81/35/29/583813529.db2.gz KBAGYKRXZCPDOY-WDEREUQCSA-N 1 2 241.379 0.783 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582172 583816051 /nfs/dbraw/zinc/81/60/51/583816051.db2.gz UYBLZXWQGHQEBB-WDEREUQCSA-N 1 2 227.352 0.393 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896582172 583816053 /nfs/dbraw/zinc/81/60/53/583816053.db2.gz UYBLZXWQGHQEBB-WDEREUQCSA-N 1 2 227.352 0.393 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000896923076 583856903 /nfs/dbraw/zinc/85/69/03/583856903.db2.gz BAIJJQTUMKHJMN-DTIDVZRVSA-N 1 2 242.319 0.457 20 0 BCADLO CONC(=O)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000896925082 583857356 /nfs/dbraw/zinc/85/73/56/583857356.db2.gz SYJYGZKYPPJJFU-SILCLGDVSA-N 1 2 228.292 0.211 20 0 BCADLO CONC(=O)C[NH2+]CC1CCC(OC)CC1 ZINC000896925333 583858295 /nfs/dbraw/zinc/85/82/95/583858295.db2.gz VRQADLSDDKBUKU-UHFFFAOYSA-N 1 2 230.308 0.459 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000896926951 583858395 /nfs/dbraw/zinc/85/83/95/583858395.db2.gz MLLSRGIQEWHCKC-RKDXNWHRSA-N 1 2 200.282 0.688 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnn(C)c2C)[nH+]c1C ZINC000896926933 583858471 /nfs/dbraw/zinc/85/84/71/583858471.db2.gz CVFAVNLLNKCIDS-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO CONC(=O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000896928166 583859196 /nfs/dbraw/zinc/85/91/96/583859196.db2.gz XMDXNXDYYPLRJB-NSHDSACASA-N 1 2 234.299 0.984 20 0 BCADLO CONC(=O)C[NH2+]CC1(SC)CCC1 ZINC000896927664 583859296 /nfs/dbraw/zinc/85/92/96/583859296.db2.gz SWLIMXULGKFODK-UHFFFAOYSA-N 1 2 218.322 0.539 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000896928221 583859469 /nfs/dbraw/zinc/85/94/69/583859469.db2.gz YDLDKFGKRHLQNS-IUCAKERBSA-N 1 2 216.281 0.069 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N=c2nc[nH]n2C)c[nH+]1 ZINC000896992886 583867421 /nfs/dbraw/zinc/86/74/21/583867421.db2.gz KQUMJCFMAYWUDV-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO Cc1nc(N2CC3(C2)CCNC(=O)O3)cc[nH+]1 ZINC000897001375 583869151 /nfs/dbraw/zinc/86/91/51/583869151.db2.gz ADEVSTNMIDUJER-UHFFFAOYSA-N 1 2 234.259 0.474 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000897084517 583878073 /nfs/dbraw/zinc/87/80/73/583878073.db2.gz GQHUZBCGYXLUHE-HOTUBEGUSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000897084517 583878077 /nfs/dbraw/zinc/87/80/77/583878077.db2.gz GQHUZBCGYXLUHE-HOTUBEGUSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000897084519 583878156 /nfs/dbraw/zinc/87/81/56/583878156.db2.gz GQHUZBCGYXLUHE-YGOYTEALSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000897084519 583878158 /nfs/dbraw/zinc/87/81/58/583878158.db2.gz GQHUZBCGYXLUHE-YGOYTEALSA-N 1 2 249.314 0.808 20 0 BCADLO Cn1cc(/C=C\C(=O)NCc2[nH+]ccn2C)cn1 ZINC000728544279 583896378 /nfs/dbraw/zinc/89/63/78/583896378.db2.gz BHFBMBMXZPHWBU-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO C[C@](O)(C[N@@H+]1CCCNC(=O)C1)C(F)(F)F ZINC000799120241 583957052 /nfs/dbraw/zinc/95/70/52/583957052.db2.gz JNBTVFNMWPVPCY-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@](O)(C[N@H+]1CCCNC(=O)C1)C(F)(F)F ZINC000799120241 583957054 /nfs/dbraw/zinc/95/70/54/583957054.db2.gz JNBTVFNMWPVPCY-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000858323893 588945378 /nfs/dbraw/zinc/94/53/78/588945378.db2.gz NZPVZWKOWFPOOK-MRVPVSSYSA-N 1 2 226.280 0.216 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]c1C ZINC000862336727 583961301 /nfs/dbraw/zinc/96/13/01/583961301.db2.gz KXMZJVVALOLTSJ-PWSUYJOCSA-N 1 2 221.304 0.841 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]c1C ZINC000862336727 583961303 /nfs/dbraw/zinc/96/13/03/583961303.db2.gz KXMZJVVALOLTSJ-PWSUYJOCSA-N 1 2 221.304 0.841 20 0 BCADLO Cc1[nH]c(CN2C[C@H]3C[C@@]3(CO)C2)[nH+]c1C ZINC000862336727 583961305 /nfs/dbraw/zinc/96/13/05/583961305.db2.gz KXMZJVVALOLTSJ-PWSUYJOCSA-N 1 2 221.304 0.841 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@@H]1CO)n1cc[nH+]c1 ZINC000889158282 583982656 /nfs/dbraw/zinc/98/26/56/583982656.db2.gz ZNPNCDQQDLVBKS-VHSXEESVSA-N 1 2 223.276 0.427 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(C2CC2)CC1 ZINC000889655512 583982688 /nfs/dbraw/zinc/98/26/88/583982688.db2.gz MTMQXJVYEZCGEB-LBPRGKRZSA-N 1 2 249.358 0.293 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2nccnc2F)CCO1 ZINC000858382977 588950091 /nfs/dbraw/zinc/95/00/91/588950091.db2.gz MOWDYSJBEWLAQM-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2nccnc2F)CCO1 ZINC000858382977 588950093 /nfs/dbraw/zinc/95/00/93/588950093.db2.gz MOWDYSJBEWLAQM-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000729927316 584028878 /nfs/dbraw/zinc/02/88/78/584028878.db2.gz HWMAIFIAVMCKSB-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCCN(C)CC1 ZINC000729927316 584028879 /nfs/dbraw/zinc/02/88/79/584028879.db2.gz HWMAIFIAVMCKSB-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)S(=O)(=O)CCN1CCC[N@H+](C)CC1 ZINC000729927316 584028880 /nfs/dbraw/zinc/02/88/80/584028880.db2.gz HWMAIFIAVMCKSB-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)S(=O)(=O)CCN1CCC[N@@H+](C)CC1 ZINC000729927316 584028881 /nfs/dbraw/zinc/02/88/81/584028881.db2.gz HWMAIFIAVMCKSB-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC000897620318 584032775 /nfs/dbraw/zinc/03/27/75/584032775.db2.gz MSMJODHAHPLHSB-AOOOYVTPSA-N 1 2 241.312 0.756 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C1 ZINC000897620318 584032776 /nfs/dbraw/zinc/03/27/76/584032776.db2.gz MSMJODHAHPLHSB-AOOOYVTPSA-N 1 2 241.312 0.756 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000897681268 584039164 /nfs/dbraw/zinc/03/91/64/584039164.db2.gz ZUYHJQFKLWUITM-CABZTGNLSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000897681268 584039165 /nfs/dbraw/zinc/03/91/65/584039165.db2.gz ZUYHJQFKLWUITM-CABZTGNLSA-N 1 2 236.319 0.816 20 0 BCADLO Cc1c[nH]c(CN2CC3(C2)CCNC(=O)O3)[nH+]1 ZINC000897749393 584043392 /nfs/dbraw/zinc/04/33/92/584043392.db2.gz HFIIYLAEOPKLIK-UHFFFAOYSA-N 1 2 236.275 0.402 20 0 BCADLO O=c1ccc(C[NH+]2CC3(C2)CCNC(=O)O3)c[nH]1 ZINC000897749303 584043791 /nfs/dbraw/zinc/04/37/91/584043791.db2.gz CWHXKWDINOPDQF-UHFFFAOYSA-N 1 2 249.270 0.472 20 0 BCADLO CCn1cc(C[NH+]2CC(N3CCCC3=O)C2)cn1 ZINC000897786436 584048179 /nfs/dbraw/zinc/04/81/79/584048179.db2.gz OVAGEKMOHGPJOL-UHFFFAOYSA-N 1 2 248.330 0.710 20 0 BCADLO Cc1cnc(C[NH2+][C@]2(C)CCNC2=O)s1 ZINC000897868841 584055122 /nfs/dbraw/zinc/05/51/22/584055122.db2.gz NCIFEMZAWWRGAK-SNVBAGLBSA-N 1 2 225.317 0.820 20 0 BCADLO Cc1cnc(C[NH2+][C@@]2(C)CCNC2=O)o1 ZINC000897868315 584055520 /nfs/dbraw/zinc/05/55/20/584055520.db2.gz IASCVSPETVWXNX-JTQLQIEISA-N 1 2 209.249 0.351 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+][C@@]2(C)CCNC2=O)n1 ZINC000897866753 584055533 /nfs/dbraw/zinc/05/55/33/584055533.db2.gz GHMRJUGFVPFUKW-LBPRGKRZSA-N 1 2 236.319 0.901 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](C)CO1 ZINC000897891609 584057952 /nfs/dbraw/zinc/05/79/52/584057952.db2.gz YHSBOKCVHDMXGG-NXEZZACHSA-N 1 2 237.303 0.944 20 0 BCADLO O=C1NC(=O)C2(C[NH+](Cc3cccc(F)c3)C2)N1 ZINC000897908454 584060047 /nfs/dbraw/zinc/06/00/47/584060047.db2.gz UZKLIZHULUOFDB-UHFFFAOYSA-N 1 2 249.245 0.220 20 0 BCADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1cn[nH]n1 ZINC000898147141 584087134 /nfs/dbraw/zinc/08/71/34/584087134.db2.gz QNDDVBHBROPFMC-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1c[nH]nn1 ZINC000898147141 584087135 /nfs/dbraw/zinc/08/71/35/584087135.db2.gz QNDDVBHBROPFMC-UHFFFAOYSA-N 1 2 248.290 0.512 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186118 584093172 /nfs/dbraw/zinc/09/31/72/584093172.db2.gz BDWWKPZUJFUNQF-WDEREUQCSA-N 1 2 227.283 0.808 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186118 584093173 /nfs/dbraw/zinc/09/31/73/584093173.db2.gz BDWWKPZUJFUNQF-WDEREUQCSA-N 1 2 227.283 0.808 20 0 BCADLO O=c1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c[nH]1 ZINC000898188941 584094961 /nfs/dbraw/zinc/09/49/61/584094961.db2.gz PZVQPAIHIIHGGD-NXEZZACHSA-N 1 2 226.251 0.692 20 0 BCADLO O=c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c[nH]1 ZINC000898188941 584094962 /nfs/dbraw/zinc/09/49/62/584094962.db2.gz PZVQPAIHIIHGGD-NXEZZACHSA-N 1 2 226.251 0.692 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898193410 584096230 /nfs/dbraw/zinc/09/62/30/584096230.db2.gz PJHYIYRDMXQEJC-WDEREUQCSA-N 1 2 212.268 0.930 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898193410 584096231 /nfs/dbraw/zinc/09/62/31/584096231.db2.gz PJHYIYRDMXQEJC-WDEREUQCSA-N 1 2 212.268 0.930 20 0 BCADLO CC[N@@H+]1CCN(CCS(C)(=O)=O)C[C@@H]1C ZINC000730080688 584123682 /nfs/dbraw/zinc/12/36/82/584123682.db2.gz GQQNMJURLDPXFQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CC[N@H+]1CCN(CCS(C)(=O)=O)C[C@@H]1C ZINC000730080688 584123683 /nfs/dbraw/zinc/12/36/83/584123683.db2.gz GQQNMJURLDPXFQ-JTQLQIEISA-N 1 2 234.365 0.057 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)C(C)(C)C ZINC000746237373 584128841 /nfs/dbraw/zinc/12/88/41/584128841.db2.gz RHSASQWFUSAPHD-UHFFFAOYSA-N 1 2 223.276 0.983 20 0 BCADLO COC(=O)Cn1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000898428878 584132692 /nfs/dbraw/zinc/13/26/92/584132692.db2.gz KAGFSQUSYSSELC-IHWYPQMZSA-N 1 2 244.682 0.293 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CCCO1 ZINC000898484641 584139206 /nfs/dbraw/zinc/13/92/06/584139206.db2.gz VMGQBZKSYAOOLJ-WDEREUQCSA-N 1 2 244.310 0.716 20 0 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CO[C@@H](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900505278 584319912 /nfs/dbraw/zinc/31/99/12/584319912.db2.gz ATPRPUKRJUDEEJ-QMMMGPOBSA-N 1 2 211.265 0.493 20 0 BCADLO CCOC(=O)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900529127 584322729 /nfs/dbraw/zinc/32/27/29/584322729.db2.gz KFLXWSMXXWWNCU-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CCOC(=O)C(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900529127 584322730 /nfs/dbraw/zinc/32/27/30/584322730.db2.gz KFLXWSMXXWWNCU-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO COCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900532008 584323481 /nfs/dbraw/zinc/32/34/81/584323481.db2.gz ZSPXSIYUEFIDMT-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO COCC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900532008 584323483 /nfs/dbraw/zinc/32/34/83/584323483.db2.gz ZSPXSIYUEFIDMT-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO CN(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900565903 584325615 /nfs/dbraw/zinc/32/56/15/584325615.db2.gz KINSCUOYYWWHAX-UHFFFAOYSA-N 1 2 203.192 0.676 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000900563978 584325811 /nfs/dbraw/zinc/32/58/11/584325811.db2.gz SXWJLCVENDYUBS-BDAKNGLRSA-N 1 2 225.292 0.443 20 0 BCADLO C=CC(=O)N(CC)CC(=O)Nc1cc[nH+]cc1C ZINC000900616234 584332635 /nfs/dbraw/zinc/33/26/35/584332635.db2.gz HRNRSLWEPMGYDB-UHFFFAOYSA-N 1 2 247.298 0.785 20 0 BCADLO CN(CCn1cccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900660245 584337207 /nfs/dbraw/zinc/33/72/07/584337207.db2.gz SKAVSRNRKVNKDJ-UHFFFAOYSA-N 1 2 233.275 0.307 20 0 BCADLO CCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900670451 584339422 /nfs/dbraw/zinc/33/94/22/584339422.db2.gz CDIPAWWDFGVRLV-HMDXOVGESA-N 1 2 206.245 0.687 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900719843 584344621 /nfs/dbraw/zinc/34/46/21/584344621.db2.gz YHIPGZBOZJIAJU-KOLCDFICSA-N 1 2 237.303 0.673 20 0 BCADLO CC[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900730292 584346428 /nfs/dbraw/zinc/34/64/28/584346428.db2.gz FKRHALZWSXHTAN-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CCCCC1 ZINC000900779549 584350119 /nfs/dbraw/zinc/35/01/19/584350119.db2.gz CDJUAAODCBIDPD-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC1(O)CCCCC1 ZINC000900779549 584350120 /nfs/dbraw/zinc/35/01/20/584350120.db2.gz CDJUAAODCBIDPD-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900857889 584357899 /nfs/dbraw/zinc/35/78/99/584357899.db2.gz ZIEPAGRHRXZVEL-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900857889 584357901 /nfs/dbraw/zinc/35/79/01/584357901.db2.gz ZIEPAGRHRXZVEL-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900900512 584364614 /nfs/dbraw/zinc/36/46/14/584364614.db2.gz WDGKKHQRHGCLKM-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900900512 584364615 /nfs/dbraw/zinc/36/46/15/584364615.db2.gz WDGKKHQRHGCLKM-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900910809 584364810 /nfs/dbraw/zinc/36/48/10/584364810.db2.gz NLJXQLXZDOSDOC-SNVBAGLBSA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900910809 584364814 /nfs/dbraw/zinc/36/48/14/584364814.db2.gz NLJXQLXZDOSDOC-SNVBAGLBSA-N 1 2 225.292 0.739 20 0 BCADLO Cc1[nH]c(CNC(=O)c2n[nH]cc2F)[nH+]c1C ZINC000901001439 584372967 /nfs/dbraw/zinc/37/29/67/584372967.db2.gz WDNFUNUJKFZSSB-UHFFFAOYSA-N 1 2 237.238 0.819 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2CC(C)=NO2)[nH+]c1C ZINC000901001318 584373024 /nfs/dbraw/zinc/37/30/24/584373024.db2.gz UJZXJRUHNAOEJH-SECBINFHSA-N 1 2 236.275 0.808 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000900987526 584373221 /nfs/dbraw/zinc/37/32/21/584373221.db2.gz TVJMPEWBYTXFGM-MRVPVSSYSA-N 1 2 225.248 0.020 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000900987526 584373222 /nfs/dbraw/zinc/37/32/22/584373222.db2.gz TVJMPEWBYTXFGM-MRVPVSSYSA-N 1 2 225.248 0.020 20 0 BCADLO CCOC(=O)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996152 584375398 /nfs/dbraw/zinc/37/53/98/584375398.db2.gz DEZQYYQVFKTCBV-UHFFFAOYSA-N 1 2 239.275 0.596 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H](O)C1CC1 ZINC000901045463 584376954 /nfs/dbraw/zinc/37/69/54/584376954.db2.gz PIPUQIYNQRSMQL-JTQLQIEISA-N 1 2 235.287 0.381 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000858852999 588978754 /nfs/dbraw/zinc/97/87/54/588978754.db2.gz VJUFYKJQCYIFJV-RKDXNWHRSA-N 1 2 249.270 0.403 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000901064728 584380305 /nfs/dbraw/zinc/38/03/05/584380305.db2.gz PWRHBQNEWOTDND-MRVPVSSYSA-N 1 2 237.259 0.171 20 0 BCADLO CCC[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000901073065 584381374 /nfs/dbraw/zinc/38/13/74/584381374.db2.gz LZDAUYQMQVWRME-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO CCC[C@H](CCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901081980 584382383 /nfs/dbraw/zinc/38/23/83/584382383.db2.gz ODOOSMGLGIMKFU-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CCC[C@H](CCO)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901081980 584382385 /nfs/dbraw/zinc/38/23/85/584382385.db2.gz ODOOSMGLGIMKFU-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N=c1nc[nH]n1C ZINC000901083815 584382414 /nfs/dbraw/zinc/38/24/14/584382414.db2.gz RJOHRTDPNNMXCB-IUCAKERBSA-N 1 2 237.307 0.048 20 0 BCADLO O=C(CNc1cccc[nH+]1)N(CCO)C1CC1 ZINC000901084622 584383027 /nfs/dbraw/zinc/38/30/27/584383027.db2.gz MUBPMDSDWKTDNG-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CCO)C1CC1 ZINC000901094380 584384239 /nfs/dbraw/zinc/38/42/39/584384239.db2.gz OQJQIGZPSRQQLE-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H](CCO)C1CC1 ZINC000901094380 584384240 /nfs/dbraw/zinc/38/42/40/584384240.db2.gz OQJQIGZPSRQQLE-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@@H](CCO)NC(=O)CNc1cccc[nH+]1 ZINC000901094864 584384563 /nfs/dbraw/zinc/38/45/63/584384563.db2.gz RTDRECQFIIWRGW-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO CC[C@@H](C[C@H](C)CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901103813 584388611 /nfs/dbraw/zinc/38/86/11/584388611.db2.gz WHXQNMQXTPRVBU-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C[C@H](C)CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901103813 584388613 /nfs/dbraw/zinc/38/86/13/584388613.db2.gz WHXQNMQXTPRVBU-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO CCc1nnc(C(=O)NCC[NH+]2CCC2)s1 ZINC000901180199 584392369 /nfs/dbraw/zinc/39/23/69/584392369.db2.gz CZPZGOBGTDUFFB-UHFFFAOYSA-N 1 2 240.332 0.536 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000901174602 584395909 /nfs/dbraw/zinc/39/59/09/584395909.db2.gz BSIZJPIIQBHGSP-QWRGUYRKSA-N 1 2 249.314 0.837 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000901176752 584396322 /nfs/dbraw/zinc/39/63/22/584396322.db2.gz KMJUQGKRJWPJBU-JTQLQIEISA-N 1 2 223.276 0.493 20 0 BCADLO COC[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901176752 584396324 /nfs/dbraw/zinc/39/63/24/584396324.db2.gz KMJUQGKRJWPJBU-JTQLQIEISA-N 1 2 223.276 0.493 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000901202031 584398883 /nfs/dbraw/zinc/39/88/83/584398883.db2.gz ABBVDQURCVVYSD-CJOPTALJSA-N 1 2 249.314 0.673 20 0 BCADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000901207129 584399755 /nfs/dbraw/zinc/39/97/55/584399755.db2.gz MVHHIIHTHQDMMT-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)OCCF ZINC000858876343 588981089 /nfs/dbraw/zinc/98/10/89/588981089.db2.gz WAWKTSAWJNXXIL-UHFFFAOYSA-N 1 2 220.244 0.014 20 0 BCADLO CC[C@@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901224286 584411836 /nfs/dbraw/zinc/41/18/36/584411836.db2.gz HYGIWFSKGPMUQP-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@](C)(CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901224286 584411837 /nfs/dbraw/zinc/41/18/37/584411837.db2.gz HYGIWFSKGPMUQP-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC[C@H](CO)C1 ZINC000901224765 584411919 /nfs/dbraw/zinc/41/19/19/584411919.db2.gz MBROMKNUVRUZHW-JTQLQIEISA-N 1 2 235.287 0.334 20 0 BCADLO COCC[NH+]1CCN(C(=O)OCCF)CC1 ZINC000858887204 588982192 /nfs/dbraw/zinc/98/21/92/588982192.db2.gz NLMHTBDBOJZLSR-UHFFFAOYSA-N 1 2 234.271 0.357 20 0 BCADLO C[C@@H]1CCOCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901329474 584423854 /nfs/dbraw/zinc/42/38/54/584423854.db2.gz KREAGXIYDISHJA-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H]([C@H](C)NC(=O)OCCF)[NH+]1CCOCC1 ZINC000858949410 588986900 /nfs/dbraw/zinc/98/69/00/588986900.db2.gz PONTZINBUKGLOE-VHSXEESVSA-N 1 2 248.298 0.791 20 0 BCADLO c1nc(-c2nnn(C[NH+]3CCCC3)n2)cs1 ZINC000902025892 584512387 /nfs/dbraw/zinc/51/23/87/584512387.db2.gz JGENVJBQBWRLMJ-UHFFFAOYSA-N 1 2 236.304 0.850 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CC(C)(C)O1 ZINC000902076858 584520478 /nfs/dbraw/zinc/52/04/78/584520478.db2.gz BCGVOVKXPCUOIX-VWYCJHECSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CC(C)(C)O1 ZINC000902076858 584520479 /nfs/dbraw/zinc/52/04/79/584520479.db2.gz BCGVOVKXPCUOIX-VWYCJHECSA-N 1 2 238.331 0.922 20 0 BCADLO CCn1cnc(C[NH2+]Cc2ccnn2C)c1 ZINC000902063340 584521699 /nfs/dbraw/zinc/52/16/99/584521699.db2.gz CRRANNQCINELDJ-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO Cn1c[nH+]cc1CCCN1C(=O)CCC1=O ZINC000902116851 584527971 /nfs/dbraw/zinc/52/79/71/584527971.db2.gz LVXBZADRORAPKH-UHFFFAOYSA-N 1 2 221.260 0.502 20 0 BCADLO C[C@H]1CNC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000902155806 584532079 /nfs/dbraw/zinc/53/20/79/584532079.db2.gz ZXJRYMPAYVAPSI-QMMMGPOBSA-N 1 2 236.275 0.151 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCOC2(CCC2)C1 ZINC000902206036 584538671 /nfs/dbraw/zinc/53/86/71/584538671.db2.gz HSOHLAHABXDJGD-UHFFFAOYSA-N 1 2 226.276 0.651 20 0 BCADLO O=C1OCCN1C[N@H+]1CCOC2(CCC2)C1 ZINC000902206036 584538673 /nfs/dbraw/zinc/53/86/73/584538673.db2.gz HSOHLAHABXDJGD-UHFFFAOYSA-N 1 2 226.276 0.651 20 0 BCADLO CN(C)c1ccc(Cn2ccnn2)c[nH+]1 ZINC000902223803 584540215 /nfs/dbraw/zinc/54/02/15/584540215.db2.gz SJDLVHOMLYTFSJ-UHFFFAOYSA-N 1 2 203.249 0.787 20 0 BCADLO CC(C)OCC(N)=[NH+]OCC[C@@H]1CCNC1=O ZINC000902220680 584540249 /nfs/dbraw/zinc/54/02/49/584540249.db2.gz IEIZRCQAAFNGFB-VIFPVBQESA-N 1 2 243.307 0.436 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000902224274 584541371 /nfs/dbraw/zinc/54/13/71/584541371.db2.gz NLPGMLKWWZCONG-UHFFFAOYSA-N 1 2 240.303 0.899 20 0 BCADLO O=C1OCCN1C[N@H+]1CCOCC2(CCC2)C1 ZINC000902224274 584541372 /nfs/dbraw/zinc/54/13/72/584541372.db2.gz NLPGMLKWWZCONG-UHFFFAOYSA-N 1 2 240.303 0.899 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)[C@@H](C)O1 ZINC000902232460 584542548 /nfs/dbraw/zinc/54/25/48/584542548.db2.gz ACRMVDHKFRMTPP-LVEVGFFFSA-N 1 2 238.331 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)[C@@H](C)O1 ZINC000902232460 584542549 /nfs/dbraw/zinc/54/25/49/584542549.db2.gz ACRMVDHKFRMTPP-LVEVGFFFSA-N 1 2 238.331 0.920 20 0 BCADLO O=C1OCCN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000902284695 584547581 /nfs/dbraw/zinc/54/75/81/584547581.db2.gz BFRNETMTBJBJOD-SECBINFHSA-N 1 2 236.218 0.098 20 0 BCADLO O=C1OCCN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000902284695 584547583 /nfs/dbraw/zinc/54/75/83/584547583.db2.gz BFRNETMTBJBJOD-SECBINFHSA-N 1 2 236.218 0.098 20 0 BCADLO CC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902302425 584553561 /nfs/dbraw/zinc/55/35/61/584553561.db2.gz OXEHAHRTMAWBQL-BJDJZHNGSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902302425 584553562 /nfs/dbraw/zinc/55/35/62/584553562.db2.gz OXEHAHRTMAWBQL-BJDJZHNGSA-N 1 2 238.331 0.922 20 0 BCADLO Cn1c[nH+]cc1CCCN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000902313062 584554914 /nfs/dbraw/zinc/55/49/14/584554914.db2.gz PLXXKFKKPBINNB-AOOOYVTPSA-N 1 2 233.271 0.358 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1CNC(=O)C1 ZINC000902341878 584557598 /nfs/dbraw/zinc/55/75/98/584557598.db2.gz RRTVHPCKZWVIKC-QMMMGPOBSA-N 1 2 243.307 0.436 20 0 BCADLO Cn1c[nH+]cc1CCCn1ncccc1=O ZINC000902355135 584569711 /nfs/dbraw/zinc/56/97/11/584569711.db2.gz LTEGUQYINBZAKP-UHFFFAOYSA-N 1 2 218.260 0.610 20 0 BCADLO CCn1ncc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000902381749 584576843 /nfs/dbraw/zinc/57/68/43/584576843.db2.gz OEQWDBSFSPBIGT-SECBINFHSA-N 1 2 239.279 0.475 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CCOC2=O)CCO1 ZINC000902384430 584577859 /nfs/dbraw/zinc/57/78/59/584577859.db2.gz QRZLXIKBLZMWAL-SECBINFHSA-N 1 2 214.265 0.507 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CCOC2=O)CCO1 ZINC000902384430 584577861 /nfs/dbraw/zinc/57/78/61/584577861.db2.gz QRZLXIKBLZMWAL-SECBINFHSA-N 1 2 214.265 0.507 20 0 BCADLO Nc1ccc(CONC(=O)C2CC2)c[nH+]1 ZINC000902439876 584597273 /nfs/dbraw/zinc/59/72/73/584597273.db2.gz GFCGCYFHLRDGOH-UHFFFAOYSA-N 1 2 207.233 0.622 20 0 BCADLO CC[N@H+](CC(=O)NC)CC(=O)NCC(C)(C)C ZINC000859088783 588999627 /nfs/dbraw/zinc/99/96/27/588999627.db2.gz XPXMKUQIADUYKC-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CC[N@@H+](CC(=O)NC)CC(=O)NCC(C)(C)C ZINC000859088783 588999628 /nfs/dbraw/zinc/99/96/28/588999628.db2.gz XPXMKUQIADUYKC-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO NC(CO)=[NH+]OCCc1ccns1 ZINC000902536476 584627859 /nfs/dbraw/zinc/62/78/59/584627859.db2.gz ONFIYWBSGQCILQ-UHFFFAOYSA-N 1 2 201.251 0.176 20 0 BCADLO CCn1cnc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000902599500 584640611 /nfs/dbraw/zinc/64/06/11/584640611.db2.gz CCMHUWSOWDBSSV-JTQLQIEISA-N 1 2 238.335 0.906 20 0 BCADLO CCc1noc(C(=O)N2CC[NH+](CC)CC2)n1 ZINC000902608460 584642983 /nfs/dbraw/zinc/64/29/83/584642983.db2.gz BHCVVGYVGKGIGO-UHFFFAOYSA-N 1 2 238.291 0.410 20 0 BCADLO O=C1CCN1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000902624593 584645752 /nfs/dbraw/zinc/64/57/52/584645752.db2.gz MWFKAVWYGSMWDX-VIFPVBQESA-N 1 2 226.276 0.014 20 0 BCADLO O=C1CCN1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000902624593 584645754 /nfs/dbraw/zinc/64/57/54/584645754.db2.gz MWFKAVWYGSMWDX-VIFPVBQESA-N 1 2 226.276 0.014 20 0 BCADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@H]1CO ZINC000902631131 584646825 /nfs/dbraw/zinc/64/68/25/584646825.db2.gz GDXRODSOUVVWIV-TUAOUCFPSA-N 1 2 238.331 0.802 20 0 BCADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@H]1CO ZINC000902631131 584646826 /nfs/dbraw/zinc/64/68/26/584646826.db2.gz GDXRODSOUVVWIV-TUAOUCFPSA-N 1 2 238.331 0.802 20 0 BCADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631305 584646963 /nfs/dbraw/zinc/64/69/63/584646963.db2.gz GRJSCBNITDVGGL-VXGBXAGGSA-N 1 2 240.347 0.905 20 0 BCADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631305 584646964 /nfs/dbraw/zinc/64/69/64/584646964.db2.gz GRJSCBNITDVGGL-VXGBXAGGSA-N 1 2 240.347 0.905 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1nccc1-c1ccncc1 ZINC000902633074 584647381 /nfs/dbraw/zinc/64/73/81/584647381.db2.gz QLOSJEHICCRMIK-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1nccc1-c1ccncc1 ZINC000902633074 584647384 /nfs/dbraw/zinc/64/73/84/584647384.db2.gz QLOSJEHICCRMIK-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO CC1(C)SC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902633086 584647610 /nfs/dbraw/zinc/64/76/10/584647610.db2.gz QQWPGFKQEDPFEX-SSDOTTSWSA-N 1 2 244.316 0.485 20 0 BCADLO CC1(C)SC(=O)N(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902633086 584647611 /nfs/dbraw/zinc/64/76/11/584647611.db2.gz QQWPGFKQEDPFEX-SSDOTTSWSA-N 1 2 244.316 0.485 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CC[C@@H]1CO ZINC000902633963 584647929 /nfs/dbraw/zinc/64/79/29/584647929.db2.gz YWTAJXUFMXXAQN-JGVFFNPUSA-N 1 2 234.246 0.124 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902633963 584647930 /nfs/dbraw/zinc/64/79/30/584647930.db2.gz YWTAJXUFMXXAQN-JGVFFNPUSA-N 1 2 234.246 0.124 20 0 BCADLO CCn1cnc(C[NH2+]Cc2cn(C)nc2OC)c1 ZINC000902695232 584657130 /nfs/dbraw/zinc/65/71/30/584657130.db2.gz APQMVJFIRINFAA-UHFFFAOYSA-N 1 2 249.318 0.935 20 0 BCADLO CCn1c[nH+]c(CNCc2cn(C)nc2OC)c1 ZINC000902695232 584657132 /nfs/dbraw/zinc/65/71/32/584657132.db2.gz APQMVJFIRINFAA-UHFFFAOYSA-N 1 2 249.318 0.935 20 0 BCADLO CCn1cc(CO[NH+]=C(N)[C@H](C)OC)nn1 ZINC000902718107 584657693 /nfs/dbraw/zinc/65/76/93/584657693.db2.gz ZCOWNHPWQHJYDY-ZETCQYMHSA-N 1 2 227.268 0.331 20 0 BCADLO COCC(COC)O[NH+]=C(N)COC(C)(C)C ZINC000902729946 584662068 /nfs/dbraw/zinc/66/20/68/584662068.db2.gz FKNIIZSLTSJAML-UHFFFAOYSA-N 1 2 248.323 0.961 20 0 BCADLO Cc1cc(C)[nH+]c(Cn2nnnc2[C@@H](C)O)c1 ZINC000902734938 584662871 /nfs/dbraw/zinc/66/28/71/584662871.db2.gz QHXQVQNYFFIHTH-SECBINFHSA-N 1 2 233.275 0.787 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)OC1COC1 ZINC000902797897 584674783 /nfs/dbraw/zinc/67/47/83/584674783.db2.gz KWVCOEVGSNZNBT-UHFFFAOYSA-N 1 2 237.259 0.619 20 0 BCADLO O=C(CCO)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000902828619 584676727 /nfs/dbraw/zinc/67/67/27/584676727.db2.gz PFSCEWWHMMXTTI-UHFFFAOYSA-N 1 2 246.270 0.266 20 0 BCADLO C[C@@H]1CCS(=O)(=O)N1CCc1c[nH+]cn1C ZINC000902850372 584682235 /nfs/dbraw/zinc/68/22/35/584682235.db2.gz CHRISIITHUZMKK-SECBINFHSA-N 1 2 243.332 0.387 20 0 BCADLO C[C@@H]1CCN(C(=O)CCO)C[C@H]1n1cc[nH+]c1 ZINC000902901115 584693549 /nfs/dbraw/zinc/69/35/49/584693549.db2.gz PQCMPYGZXVEJRH-GHMZBOCLSA-N 1 2 237.303 0.675 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)OC1COC1 ZINC000902902242 584693835 /nfs/dbraw/zinc/69/38/35/584693835.db2.gz OEVGGBCSELIEQQ-UHFFFAOYSA-N 1 2 247.254 0.959 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC000902932946 584699104 /nfs/dbraw/zinc/69/91/04/584699104.db2.gz GZJIAQOFPJLGKM-ZETCQYMHSA-N 1 2 211.290 0.577 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC000902932946 584699105 /nfs/dbraw/zinc/69/91/05/584699105.db2.gz GZJIAQOFPJLGKM-ZETCQYMHSA-N 1 2 211.290 0.577 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)OC1COC1 ZINC000902939174 584701446 /nfs/dbraw/zinc/70/14/46/584701446.db2.gz OWUYBUNZFSBPMD-SSDOTTSWSA-N 1 2 237.259 0.392 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)OC1COC1 ZINC000902939174 584701447 /nfs/dbraw/zinc/70/14/47/584701447.db2.gz OWUYBUNZFSBPMD-SSDOTTSWSA-N 1 2 237.259 0.392 20 0 BCADLO Cc1cccc2[nH+]c(CCNC(=O)CCO)cn21 ZINC000902949104 584703793 /nfs/dbraw/zinc/70/37/93/584703793.db2.gz NPXWBSHGHOGNHQ-UHFFFAOYSA-N 1 2 247.298 0.684 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)OC1COC1 ZINC000902962470 584706920 /nfs/dbraw/zinc/70/69/20/584706920.db2.gz XVXAATDFHHGFEV-SECBINFHSA-N 1 2 246.282 0.545 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)OC1COC1 ZINC000902962470 584706922 /nfs/dbraw/zinc/70/69/22/584706922.db2.gz XVXAATDFHHGFEV-SECBINFHSA-N 1 2 246.282 0.545 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902991662 584710216 /nfs/dbraw/zinc/71/02/16/584710216.db2.gz YCMVDUOVJZXXEF-DTWKUNHWSA-N 1 2 216.256 0.583 20 0 BCADLO CON1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902991662 584710217 /nfs/dbraw/zinc/71/02/17/584710217.db2.gz YCMVDUOVJZXXEF-DTWKUNHWSA-N 1 2 216.256 0.583 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902994327 584711512 /nfs/dbraw/zinc/71/15/12/584711512.db2.gz CEISFGRFUWLLQK-MRVPVSSYSA-N 1 2 204.245 0.440 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902994327 584711513 /nfs/dbraw/zinc/71/15/13/584711513.db2.gz CEISFGRFUWLLQK-MRVPVSSYSA-N 1 2 204.245 0.440 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902997593 584714413 /nfs/dbraw/zinc/71/44/13/584714413.db2.gz WJQYQEDGERVVRB-DTWKUNHWSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000902997593 584714414 /nfs/dbraw/zinc/71/44/14/584714414.db2.gz WJQYQEDGERVVRB-DTWKUNHWSA-N 1 2 246.282 0.098 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001179 584715318 /nfs/dbraw/zinc/71/53/18/584715318.db2.gz MBFQAASYGIAJFP-RKDXNWHRSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001179 584715319 /nfs/dbraw/zinc/71/53/19/584715319.db2.gz MBFQAASYGIAJFP-RKDXNWHRSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001178 584715791 /nfs/dbraw/zinc/71/57/91/584715791.db2.gz MBFQAASYGIAJFP-IUCAKERBSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001178 584715793 /nfs/dbraw/zinc/71/57/93/584715793.db2.gz MBFQAASYGIAJFP-IUCAKERBSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002934 584716155 /nfs/dbraw/zinc/71/61/55/584716155.db2.gz IKIKUAVRVWWSNR-QMMMGPOBSA-N 1 2 231.271 0.266 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002934 584716156 /nfs/dbraw/zinc/71/61/56/584716156.db2.gz IKIKUAVRVWWSNR-QMMMGPOBSA-N 1 2 231.271 0.266 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003127 584716232 /nfs/dbraw/zinc/71/62/32/584716232.db2.gz JVFWPMGQKBPBEC-VIFPVBQESA-N 1 2 245.298 0.656 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003127 584716233 /nfs/dbraw/zinc/71/62/33/584716233.db2.gz JVFWPMGQKBPBEC-VIFPVBQESA-N 1 2 245.298 0.656 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C(=O)OC(C)(C)C)c1 ZINC000903037151 584719344 /nfs/dbraw/zinc/71/93/44/584719344.db2.gz YXJOKJLHIAGDCK-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO CCCn1cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000903073897 584726297 /nfs/dbraw/zinc/72/62/97/584726297.db2.gz RXAJQOLSIHUGPC-IEBDPFPHSA-N 1 2 240.307 0.098 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@@H]2OC)n1 ZINC000903198993 584734719 /nfs/dbraw/zinc/73/47/19/584734719.db2.gz IMOYUIRUUMGPAW-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2OC)[nH]1 ZINC000903198993 584734720 /nfs/dbraw/zinc/73/47/20/584734720.db2.gz IMOYUIRUUMGPAW-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO Cc1nonc1[C@H](C)NCc1cn(C)c[nH+]1 ZINC000903352112 584755426 /nfs/dbraw/zinc/75/54/26/584755426.db2.gz QYRRZZJUBBOHPU-ZETCQYMHSA-N 1 2 221.264 0.962 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)OCCF ZINC000859140190 589008339 /nfs/dbraw/zinc/00/83/39/589008339.db2.gz ZYNBBWJYNIQUPD-JTQLQIEISA-N 1 2 248.298 0.745 20 0 BCADLO Cc1ccc(Cc2noc(CON)n2)c[nH+]1 ZINC000904088686 584840900 /nfs/dbraw/zinc/84/09/00/584840900.db2.gz JLUBQNDTUOLBBM-UHFFFAOYSA-N 1 2 220.232 0.754 20 0 BCADLO C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C(=O)[O-] ZINC000904229997 584854161 /nfs/dbraw/zinc/85/41/61/584854161.db2.gz WBGGFJDSJGQOFH-SECBINFHSA-N 1 2 223.276 0.946 20 0 BCADLO c1cn(C2CC2)c(C[NH2+]C[C@@H]2COCCN2)n1 ZINC000904381428 584876630 /nfs/dbraw/zinc/87/66/30/584876630.db2.gz OUMLRXCNNBHPJC-SNVBAGLBSA-N 1 2 236.319 0.296 20 0 BCADLO CCOC(=O)c1ccc(C[NH2+][C@H]2CNOC2)o1 ZINC000904425551 584881339 /nfs/dbraw/zinc/88/13/39/584881339.db2.gz QNTBTXTWJCBERL-QMMMGPOBSA-N 1 2 240.259 0.449 20 0 BCADLO CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000904427081 584881386 /nfs/dbraw/zinc/88/13/86/584881386.db2.gz QJEIWFMYSYHSDM-ZETCQYMHSA-N 1 2 244.726 0.629 20 0 BCADLO Fc1cccc(C[NH2+][C@@H]2CNOC2)c1F ZINC000904421387 584882226 /nfs/dbraw/zinc/88/22/26/584882226.db2.gz AWFUUHBDPKRAEF-MRVPVSSYSA-N 1 2 214.215 0.958 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830393826 584908451 /nfs/dbraw/zinc/90/84/51/584908451.db2.gz SGVCGHJBDKXJHQ-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000824313822 584908770 /nfs/dbraw/zinc/90/87/70/584908770.db2.gz XVYOUTJXDDYNDH-UHFFFAOYSA-N 1 2 235.287 0.820 20 0 BCADLO CS(=O)(=O)CCSCCn1cc[nH+]c1 ZINC000762192686 584913549 /nfs/dbraw/zinc/91/35/49/584913549.db2.gz ACMFKZROHIHIPW-UHFFFAOYSA-N 1 2 234.346 0.661 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000731028706 584921020 /nfs/dbraw/zinc/92/10/20/584921020.db2.gz IDHYTONLKLJQSE-UHFFFAOYSA-N 1 2 241.316 0.925 20 0 BCADLO Cn1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1=O ZINC000731213100 584923892 /nfs/dbraw/zinc/92/38/92/584923892.db2.gz IHZWBIOXLMWRIB-UHFFFAOYSA-N 1 2 249.314 0.096 20 0 BCADLO Cn1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1=O ZINC000731213100 584923893 /nfs/dbraw/zinc/92/38/93/584923893.db2.gz IHZWBIOXLMWRIB-UHFFFAOYSA-N 1 2 249.314 0.096 20 0 BCADLO C[C@H](OC(=O)c1ccc2[nH+]ccn2c1)C(N)=O ZINC000731910756 584931319 /nfs/dbraw/zinc/93/13/19/584931319.db2.gz GLQGCLRUNLZFLL-ZETCQYMHSA-N 1 2 233.227 0.365 20 0 BCADLO COC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000732128185 584934017 /nfs/dbraw/zinc/93/40/17/584934017.db2.gz UHLGJBBOUHYBCS-LLVKDONJSA-N 1 2 242.319 0.940 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@H](C)OC)C1 ZINC000788044543 584937072 /nfs/dbraw/zinc/93/70/72/584937072.db2.gz SLFWQYJQLIUTDJ-VIFPVBQESA-N 1 2 231.292 0.285 20 0 BCADLO CCc1cc(CNC(=O)CCn2cc[nH+]c2)[nH]n1 ZINC000732790710 584940719 /nfs/dbraw/zinc/94/07/19/584940719.db2.gz LFPWAVGRWAMTGK-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CCc1cc(CNC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000732790710 584940720 /nfs/dbraw/zinc/94/07/20/584940720.db2.gz LFPWAVGRWAMTGK-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CCc1nc(N2CC[C@@H](NC(C)=O)C2)cc[nH+]1 ZINC000884533230 584956987 /nfs/dbraw/zinc/95/69/87/584956987.db2.gz BVOYGMHVXVXZKE-SNVBAGLBSA-N 1 2 234.303 0.754 20 0 BCADLO O=C(c1ncccn1)N1CC[NH+](C2CC2)CC1 ZINC000735852530 584982785 /nfs/dbraw/zinc/98/27/85/584982785.db2.gz CDDAGBPWIFZTON-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCc2n[nH]cc2C1 ZINC000773518906 585022801 /nfs/dbraw/zinc/02/28/01/585022801.db2.gz QFMOUDDFMBCJHB-YCRREMRBSA-N 1 2 235.287 0.887 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCc2n[nH]cc2C1 ZINC000773518906 585022802 /nfs/dbraw/zinc/02/28/02/585022802.db2.gz QFMOUDDFMBCJHB-YCRREMRBSA-N 1 2 235.287 0.887 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC000890099534 585022847 /nfs/dbraw/zinc/02/28/47/585022847.db2.gz ABJNEULNAFPKMU-ZMLRMANQSA-N 1 2 249.314 0.851 20 0 BCADLO COc1ccc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890116877 585024213 /nfs/dbraw/zinc/02/42/13/585024213.db2.gz CEAWZBHKRROLRL-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cn1ncnc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774181184 585027473 /nfs/dbraw/zinc/02/74/73/585027473.db2.gz NVKOWTIEIIZREU-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO Cn1ncnc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774181184 585027474 /nfs/dbraw/zinc/02/74/74/585027474.db2.gz NVKOWTIEIIZREU-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824122189 585028711 /nfs/dbraw/zinc/02/87/11/585028711.db2.gz CUABOZCVSADWDC-VWYCJHECSA-N 1 2 243.351 0.818 20 0 BCADLO CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824122189 585028712 /nfs/dbraw/zinc/02/87/12/585028712.db2.gz CUABOZCVSADWDC-VWYCJHECSA-N 1 2 243.351 0.818 20 0 BCADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000737515060 585034550 /nfs/dbraw/zinc/03/45/50/585034550.db2.gz RWGUAHRDIMWDBB-UHFFFAOYSA-N 1 2 229.324 0.622 20 0 BCADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000737515060 585034551 /nfs/dbraw/zinc/03/45/51/585034551.db2.gz RWGUAHRDIMWDBB-UHFFFAOYSA-N 1 2 229.324 0.622 20 0 BCADLO Cn1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cn1 ZINC000788084534 585038749 /nfs/dbraw/zinc/03/87/49/585038749.db2.gz SBCDXXXLQGSULT-SNVBAGLBSA-N 1 2 241.266 0.621 20 0 BCADLO Cn1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cn1 ZINC000788084534 585038750 /nfs/dbraw/zinc/03/87/50/585038750.db2.gz SBCDXXXLQGSULT-SNVBAGLBSA-N 1 2 241.266 0.621 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838113643 585046295 /nfs/dbraw/zinc/04/62/95/585046295.db2.gz PUOUOLCNUKYYRL-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838113643 585046296 /nfs/dbraw/zinc/04/62/96/585046296.db2.gz PUOUOLCNUKYYRL-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H](O)C1CCC1 ZINC000838309712 585052727 /nfs/dbraw/zinc/05/27/27/585052727.db2.gz AZMMRMLLXQEMKX-SNVBAGLBSA-N 1 2 224.260 0.587 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000838790664 585070532 /nfs/dbraw/zinc/07/05/32/585070532.db2.gz IPIPJECYXCCTDC-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000838790664 585070533 /nfs/dbraw/zinc/07/05/33/585070533.db2.gz IPIPJECYXCCTDC-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000838814509 585071532 /nfs/dbraw/zinc/07/15/32/585071532.db2.gz AFWKDCCKADDSCZ-LLVKDONJSA-N 1 2 227.304 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000838814509 585071533 /nfs/dbraw/zinc/07/15/33/585071533.db2.gz AFWKDCCKADDSCZ-LLVKDONJSA-N 1 2 227.304 0.785 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cn[nH]n1 ZINC000838897798 585079567 /nfs/dbraw/zinc/07/95/67/585079567.db2.gz MYYAHAJQQDJRTK-JTQLQIEISA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cn[nH]n1 ZINC000838897798 585079568 /nfs/dbraw/zinc/07/95/68/585079568.db2.gz MYYAHAJQQDJRTK-JTQLQIEISA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838897798 585079569 /nfs/dbraw/zinc/07/95/69/585079569.db2.gz MYYAHAJQQDJRTK-JTQLQIEISA-N 1 2 238.291 0.722 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838897798 585079570 /nfs/dbraw/zinc/07/95/70/585079570.db2.gz MYYAHAJQQDJRTK-JTQLQIEISA-N 1 2 238.291 0.722 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)C1CC1)C(C)C ZINC000838929625 585081463 /nfs/dbraw/zinc/08/14/63/585081463.db2.gz ZSOLGZYJIDEURU-VHSXEESVSA-N 1 2 215.293 0.545 20 0 BCADLO O[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000838967481 585082995 /nfs/dbraw/zinc/08/29/95/585082995.db2.gz WITMFLMMZJWQEI-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO O[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000838967481 585082996 /nfs/dbraw/zinc/08/29/96/585082996.db2.gz WITMFLMMZJWQEI-DTWKUNHWSA-N 1 2 221.247 0.459 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000839020187 585087788 /nfs/dbraw/zinc/08/77/88/585087788.db2.gz YXEPGEVXSJQSHX-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000839020187 585087789 /nfs/dbraw/zinc/08/77/89/585087789.db2.gz YXEPGEVXSJQSHX-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000839068668 585089584 /nfs/dbraw/zinc/08/95/84/585089584.db2.gz IFTAJCMMJUPAFQ-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000839068668 585089585 /nfs/dbraw/zinc/08/95/85/585089585.db2.gz IFTAJCMMJUPAFQ-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CC[C@](COC)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000839113138 585091790 /nfs/dbraw/zinc/09/17/90/585091790.db2.gz ZEQVDKHRMXXOBS-CMPLNLGQSA-N 1 2 245.319 0.315 20 0 BCADLO CCn1ncc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000839126166 585093275 /nfs/dbraw/zinc/09/32/75/585093275.db2.gz RPSOBORVPVTZON-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO CCn1ncc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000839126166 585093276 /nfs/dbraw/zinc/09/32/76/585093276.db2.gz RPSOBORVPVTZON-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO NC(=O)CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000740739256 585106142 /nfs/dbraw/zinc/10/61/42/585106142.db2.gz CIPXBEQZMZZZPM-UHFFFAOYSA-N 1 2 245.242 0.081 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC1 ZINC000741147858 585110615 /nfs/dbraw/zinc/11/06/15/585110615.db2.gz WXWWYPRLIQBCLD-JTQLQIEISA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC1 ZINC000741147858 585110616 /nfs/dbraw/zinc/11/06/16/585110616.db2.gz WXWWYPRLIQBCLD-JTQLQIEISA-N 1 2 240.303 0.293 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147600 585110656 /nfs/dbraw/zinc/11/06/56/585110656.db2.gz VYJNXEWTPVFOAB-NXEZZACHSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147600 585110657 /nfs/dbraw/zinc/11/06/57/585110657.db2.gz VYJNXEWTPVFOAB-NXEZZACHSA-N 1 2 213.277 0.991 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC)CCO1 ZINC000741388638 585113220 /nfs/dbraw/zinc/11/32/20/585113220.db2.gz PUVDLKFUVDIHIK-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC)CCO1 ZINC000741388638 585113221 /nfs/dbraw/zinc/11/32/21/585113221.db2.gz PUVDLKFUVDIHIK-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H](O)c1ccccc1 ZINC000742252331 585124309 /nfs/dbraw/zinc/12/43/09/585124309.db2.gz WFUKPSKDEUKZQH-LBPRGKRZSA-N 1 2 245.282 0.770 20 0 BCADLO CC(C)c1[nH+]ccn1CCNC(=O)c1nnc[nH]1 ZINC000746180039 585164718 /nfs/dbraw/zinc/16/47/18/585164718.db2.gz STEIRJVULIKMAV-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO CC(C)c1[nH+]ccn1CCNC(=O)c1ncn[nH]1 ZINC000746180039 585164719 /nfs/dbraw/zinc/16/47/19/585164719.db2.gz STEIRJVULIKMAV-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO CC(C)c1[nH+]ccn1CCNC(=O)c1nc[nH]n1 ZINC000746180039 585164720 /nfs/dbraw/zinc/16/47/20/585164720.db2.gz STEIRJVULIKMAV-UHFFFAOYSA-N 1 2 248.290 0.555 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1=CCCCO1 ZINC000746250492 585166343 /nfs/dbraw/zinc/16/63/43/585166343.db2.gz QALFHXLFIXXNGL-UHFFFAOYSA-N 1 2 207.233 0.720 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCOc1cccnc1 ZINC000746267249 585166512 /nfs/dbraw/zinc/16/65/12/585166512.db2.gz TYZMFKDGNOSSFV-UHFFFAOYSA-N 1 2 246.270 0.473 20 0 BCADLO C[N@H+](CCCN1CCOC1=O)Cc1nnc[nH]1 ZINC000746477877 585168287 /nfs/dbraw/zinc/16/82/87/585168287.db2.gz HGMXAENMGLLNTK-UHFFFAOYSA-N 1 2 239.279 0.079 20 0 BCADLO C[N@@H+](CCCN1CCOC1=O)Cc1nnc[nH]1 ZINC000746477877 585168288 /nfs/dbraw/zinc/16/82/88/585168288.db2.gz HGMXAENMGLLNTK-UHFFFAOYSA-N 1 2 239.279 0.079 20 0 BCADLO CCCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746475886 585168503 /nfs/dbraw/zinc/16/85/03/585168503.db2.gz RPRDMPDAVXWBDX-HNNXBMFYSA-N 1 2 232.393 0.783 20 0 BCADLO C[C@@H]1C[N@H+](Cn2ccsc2=O)CCCO1 ZINC000746614012 585170749 /nfs/dbraw/zinc/17/07/49/585170749.db2.gz KQKBDDJQKHXQKC-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2ccsc2=O)CCCO1 ZINC000746614012 585170750 /nfs/dbraw/zinc/17/07/50/585170750.db2.gz KQKBDDJQKHXQKC-SECBINFHSA-N 1 2 228.317 0.978 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC1 ZINC000746982962 585173969 /nfs/dbraw/zinc/17/39/69/585173969.db2.gz FGIRHWAUZBEWDX-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC1 ZINC000746982962 585173970 /nfs/dbraw/zinc/17/39/70/585173970.db2.gz FGIRHWAUZBEWDX-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCc1ccon1 ZINC000747340026 585178044 /nfs/dbraw/zinc/17/80/44/585178044.db2.gz RCIUQGXGVCYJCV-UHFFFAOYSA-N 1 2 234.259 0.968 20 0 BCADLO Cc1nonc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400796 585178647 /nfs/dbraw/zinc/17/86/47/585178647.db2.gz OSSAMFRDGYYEBG-QMMMGPOBSA-N 1 2 249.274 0.641 20 0 BCADLO CCCCOCC(=O)OCC[NH+]1CCOCC1 ZINC000747701941 585182565 /nfs/dbraw/zinc/18/25/65/585182565.db2.gz DMQCEFCUPPPSNY-UHFFFAOYSA-N 1 2 245.319 0.679 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000747710102 585182745 /nfs/dbraw/zinc/18/27/45/585182745.db2.gz LBUYHUFLTMBZPC-GHMZBOCLSA-N 1 2 243.303 0.023 20 0 BCADLO Cn1cc(CCC(=O)OCc2c[nH+]cn2C)cn1 ZINC000747783650 585184240 /nfs/dbraw/zinc/18/42/40/585184240.db2.gz VJKKJYPZFQVNCK-UHFFFAOYSA-N 1 2 248.286 0.830 20 0 BCADLO COCCCC(=O)OCc1c[nH+]cn1C ZINC000747780888 585184266 /nfs/dbraw/zinc/18/42/66/585184266.db2.gz KWXNPZGOJJMCOF-UHFFFAOYSA-N 1 2 212.249 0.890 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCOC1 ZINC000747825410 585184655 /nfs/dbraw/zinc/18/46/55/585184655.db2.gz PRBSPDJFKDGMKI-SECBINFHSA-N 1 2 216.281 0.946 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCC(=O)NCC(C)C ZINC000747862978 585185221 /nfs/dbraw/zinc/18/52/21/585185221.db2.gz IVXFIPUWTSYIEF-MRVPVSSYSA-N 1 2 231.296 0.292 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnsn2)CC[N@@H+]1C ZINC000748352629 585191564 /nfs/dbraw/zinc/19/15/64/585191564.db2.gz LREHUBYUBWOYTG-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnsn2)CC[N@H+]1C ZINC000748352629 585191565 /nfs/dbraw/zinc/19/15/65/585191565.db2.gz LREHUBYUBWOYTG-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(C)C)C1 ZINC000748457184 585193092 /nfs/dbraw/zinc/19/30/92/585193092.db2.gz KEORKVFPFLFFFF-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC(C)C)C1 ZINC000748457184 585193093 /nfs/dbraw/zinc/19/30/93/585193093.db2.gz KEORKVFPFLFFFF-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(C)=O)C1 ZINC000748461740 585193258 /nfs/dbraw/zinc/19/32/58/585193258.db2.gz VRZBONROBYMFMK-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(C)=O)C1 ZINC000748461740 585193259 /nfs/dbraw/zinc/19/32/59/585193259.db2.gz VRZBONROBYMFMK-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO CC[N@H+](C/C=C(\C)C(=O)OC)CC(=O)OC ZINC000748811620 585196495 /nfs/dbraw/zinc/19/64/95/585196495.db2.gz ASPGJEJMVODZHT-RMKNXTFCSA-N 1 2 229.276 0.601 20 0 BCADLO CC[N@@H+](C/C=C(\C)C(=O)OC)CC(=O)OC ZINC000748811620 585196496 /nfs/dbraw/zinc/19/64/96/585196496.db2.gz ASPGJEJMVODZHT-RMKNXTFCSA-N 1 2 229.276 0.601 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(C)=O ZINC000749296471 585201007 /nfs/dbraw/zinc/20/10/07/585201007.db2.gz FDYOZQQVFVQADD-VIFPVBQESA-N 1 2 201.266 0.849 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(C)=O ZINC000749296471 585201008 /nfs/dbraw/zinc/20/10/08/585201008.db2.gz FDYOZQQVFVQADD-VIFPVBQESA-N 1 2 201.266 0.849 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnc(C)cn1 ZINC000749441059 585202469 /nfs/dbraw/zinc/20/24/69/585202469.db2.gz OZBJHAUCXDPDLI-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnc(C)cn1 ZINC000749441059 585202470 /nfs/dbraw/zinc/20/24/70/585202470.db2.gz OZBJHAUCXDPDLI-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCOC[C@H]1C ZINC000749511822 585202894 /nfs/dbraw/zinc/20/28/94/585202894.db2.gz QNMNPLPTTFICMN-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCOC[C@H]1C ZINC000749511822 585202895 /nfs/dbraw/zinc/20/28/95/585202895.db2.gz QNMNPLPTTFICMN-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000749576624 585204084 /nfs/dbraw/zinc/20/40/84/585204084.db2.gz LDARRGXMJNWPKH-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCCNC(=O)C1 ZINC000750043856 585209738 /nfs/dbraw/zinc/20/97/38/585209738.db2.gz NHSFNMXOLSLPSQ-JTQLQIEISA-N 1 2 219.288 0.965 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCCNC(=O)C1 ZINC000750043856 585209739 /nfs/dbraw/zinc/20/97/39/585209739.db2.gz NHSFNMXOLSLPSQ-JTQLQIEISA-N 1 2 219.288 0.965 20 0 BCADLO Cc1ccc(NC(=O)CC(N)=O)c(N(C)C)[nH+]1 ZINC000750530342 585216865 /nfs/dbraw/zinc/21/68/65/585216865.db2.gz GWSGPSHEPKUCIU-UHFFFAOYSA-N 1 2 236.275 0.270 20 0 BCADLO CO[C@@H](C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750747272 585219376 /nfs/dbraw/zinc/21/93/76/585219376.db2.gz QPICRKVRKVCQHO-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750747272 585219377 /nfs/dbraw/zinc/21/93/77/585219377.db2.gz QPICRKVRKVCQHO-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)[C@H]1CCCOC1 ZINC000750796395 585220073 /nfs/dbraw/zinc/22/00/73/585220073.db2.gz PGEKZXHLWYNXKR-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)[C@H]1CCCOC1 ZINC000750796395 585220074 /nfs/dbraw/zinc/22/00/74/585220074.db2.gz PGEKZXHLWYNXKR-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCCNC(=S)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751014845 585223322 /nfs/dbraw/zinc/22/33/22/585223322.db2.gz MUUFDFVQGCYVNC-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CCCNC(=S)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751014845 585223323 /nfs/dbraw/zinc/22/33/23/585223323.db2.gz MUUFDFVQGCYVNC-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CC(C)=C(C)C(=O)NCC[NH+]1CCOCC1 ZINC000751188620 585225016 /nfs/dbraw/zinc/22/50/16/585225016.db2.gz NCPSPNZTYAHTPU-UHFFFAOYSA-N 1 2 226.320 0.791 20 0 BCADLO CS/C=C\C(=O)NCc1[nH+]ccn1C ZINC000751464959 585231192 /nfs/dbraw/zinc/23/11/92/585231192.db2.gz WNKVRJZMXSXKLJ-UTCJRWHESA-N 1 2 211.290 0.913 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000752088948 585241764 /nfs/dbraw/zinc/24/17/64/585241764.db2.gz QGJPNLAJIHOEKY-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000752088948 585241765 /nfs/dbraw/zinc/24/17/65/585241765.db2.gz QGJPNLAJIHOEKY-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000752087177 585242074 /nfs/dbraw/zinc/24/20/74/585242074.db2.gz HKJAKNDLPCSEFS-NSHDSACASA-N 1 2 246.282 0.052 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000752087177 585242075 /nfs/dbraw/zinc/24/20/75/585242075.db2.gz HKJAKNDLPCSEFS-NSHDSACASA-N 1 2 246.282 0.052 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000752308408 585244690 /nfs/dbraw/zinc/24/46/90/585244690.db2.gz HNCUPAAVSBGJPG-KNVOCYPGSA-N 1 2 248.735 0.724 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000752308408 585244691 /nfs/dbraw/zinc/24/46/91/585244691.db2.gz HNCUPAAVSBGJPG-KNVOCYPGSA-N 1 2 248.735 0.724 20 0 BCADLO COc1cccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000752627892 585248358 /nfs/dbraw/zinc/24/83/58/585248358.db2.gz ZHMWNCIAZCQUGG-UHFFFAOYSA-N 1 2 246.270 0.786 20 0 BCADLO O=C(NC[C@H](O)C1CC1)c1cccc2[nH+]ccn21 ZINC000752625736 585248491 /nfs/dbraw/zinc/24/84/91/585248491.db2.gz JJGDUIYUXLUSEA-NSHDSACASA-N 1 2 245.282 0.835 20 0 BCADLO CSCCNC(=S)NCCn1cc[nH+]c1 ZINC000752732371 585249042 /nfs/dbraw/zinc/24/90/42/585249042.db2.gz GNPRUTHPIWHMTN-UHFFFAOYSA-N 1 2 244.389 0.710 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc(C=O)[nH]1 ZINC000752957702 585251751 /nfs/dbraw/zinc/25/17/51/585251751.db2.gz YYKQKYBQXOUDKV-UHFFFAOYSA-N 1 2 232.243 0.491 20 0 BCADLO CN(C)c1cc[nH+]c(NC(=O)c2nc[nH]n2)c1 ZINC000753014282 585252356 /nfs/dbraw/zinc/25/23/56/585252356.db2.gz BHNMUJBZDYMWSH-UHFFFAOYSA-N 1 2 232.247 0.518 20 0 BCADLO COCCCONC(=O)Cc1c[nH+]cn1C ZINC000805045331 585265817 /nfs/dbraw/zinc/26/58/17/585265817.db2.gz OGXVUCAGMRZKEC-UHFFFAOYSA-N 1 2 227.264 0.047 20 0 BCADLO CCC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000753722179 585267262 /nfs/dbraw/zinc/26/72/62/585267262.db2.gz IBXFHNTWNTVLFO-SNVBAGLBSA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC ZINC000753722179 585267263 /nfs/dbraw/zinc/26/72/63/585267263.db2.gz IBXFHNTWNTVLFO-SNVBAGLBSA-N 1 2 212.293 0.566 20 0 BCADLO CN1CC[N@H+](CCC(=O)C(C)(C)C)CC1=O ZINC000753725451 585267539 /nfs/dbraw/zinc/26/75/39/585267539.db2.gz ZHGDHOXUPNDICK-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CN1CC[N@@H+](CCC(=O)C(C)(C)C)CC1=O ZINC000753725451 585267540 /nfs/dbraw/zinc/26/75/40/585267540.db2.gz ZHGDHOXUPNDICK-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO O=C1OCC[C@H]1[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886975744 585270347 /nfs/dbraw/zinc/27/03/47/585270347.db2.gz XQBIYQKEVZGDSQ-SNVBAGLBSA-N 1 2 239.315 0.977 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)C)C[C@H]1C ZINC000754045923 585276129 /nfs/dbraw/zinc/27/61/29/585276129.db2.gz CTGFHXMGWWOCCV-LLVKDONJSA-N 1 2 248.392 0.998 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC(C)C)C[C@H]1C ZINC000754045923 585276130 /nfs/dbraw/zinc/27/61/30/585276130.db2.gz CTGFHXMGWWOCCV-LLVKDONJSA-N 1 2 248.392 0.998 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2nncn2C)C1 ZINC000754381411 585283889 /nfs/dbraw/zinc/28/38/89/585283889.db2.gz CETNEKYKHMAUFF-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2nncn2C)C1 ZINC000754381411 585283890 /nfs/dbraw/zinc/28/38/90/585283890.db2.gz CETNEKYKHMAUFF-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000754542148 585285699 /nfs/dbraw/zinc/28/56/99/585285699.db2.gz TZNCOXLYLBRCJF-PSASIEDQSA-N 1 2 243.303 0.869 20 0 BCADLO CC[C@@H]([NH2+][C@H](CC(=O)OC)C1CC1)C(=O)OC ZINC000754542174 585285770 /nfs/dbraw/zinc/28/57/70/585285770.db2.gz VKOFSXQPMIQPBV-NXEZZACHSA-N 1 2 243.303 0.869 20 0 BCADLO Cn1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000754827338 585290865 /nfs/dbraw/zinc/29/08/65/585290865.db2.gz XXWNKMUVZQFYQN-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO Cn1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000754827338 585290866 /nfs/dbraw/zinc/29/08/66/585290866.db2.gz XXWNKMUVZQFYQN-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO OCCN(C/C=C\Cl)CC[NH+]1CCOCC1 ZINC000754834298 585291394 /nfs/dbraw/zinc/29/13/94/585291394.db2.gz IYJGCTUYKFDXNY-UPHRSURJSA-N 1 2 248.754 0.365 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C=C1CCC1 ZINC000755172542 585295835 /nfs/dbraw/zinc/29/58/35/585295835.db2.gz CESUNXNAJJVAKU-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C=C1CCC1 ZINC000755172541 585295859 /nfs/dbraw/zinc/29/58/59/585295859.db2.gz CESUNXNAJJVAKU-LLVKDONJSA-N 1 2 238.331 0.934 20 0 BCADLO CCN1CC[N@H+](CC[C@@H]2CCOC2=O)CC1=O ZINC000755290712 585297360 /nfs/dbraw/zinc/29/73/60/585297360.db2.gz UPACHEHTCQWYKJ-SNVBAGLBSA-N 1 2 240.303 0.104 20 0 BCADLO CCN1CC[N@@H+](CC[C@@H]2CCOC2=O)CC1=O ZINC000755290712 585297361 /nfs/dbraw/zinc/29/73/61/585297361.db2.gz UPACHEHTCQWYKJ-SNVBAGLBSA-N 1 2 240.303 0.104 20 0 BCADLO CCC1(C(=O)NCc2[nH]cc[nH+]2)COC1 ZINC000755362891 585298446 /nfs/dbraw/zinc/29/84/46/585298446.db2.gz PJVIAKKVIXEKCN-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO CNC(=S)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755398780 585299116 /nfs/dbraw/zinc/29/91/16/585299116.db2.gz SNMIDOQKCXSANC-MRVPVSSYSA-N 1 2 224.333 0.714 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1NC2(CCCC2)C(=O)N1C ZINC000755415944 585299320 /nfs/dbraw/zinc/29/93/20/585299320.db2.gz KMSZONKGULDCIY-SNVBAGLBSA-N 1 2 234.303 0.793 20 0 BCADLO CCC1(C(=O)NCc2[nH]c[nH+]c2C)COC1 ZINC000755435498 585299461 /nfs/dbraw/zinc/29/94/61/585299461.db2.gz DHWIHZZMKAICAX-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1nccc(C)n1 ZINC000755821128 585308233 /nfs/dbraw/zinc/30/82/33/585308233.db2.gz ZBAKRTNJBVYLBV-MRVPVSSYSA-N 1 2 224.264 0.818 20 0 BCADLO C[S@@](=O)CC[NH+]1CCN(CCC2CC2)CC1 ZINC000755949080 585311369 /nfs/dbraw/zinc/31/13/69/585311369.db2.gz FWVPCGHEGIKROP-MRXNPFEDSA-N 1 2 244.404 0.783 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000756095846 585314255 /nfs/dbraw/zinc/31/42/55/585314255.db2.gz VSLVOEFTPMKJJS-BXKUYDPTSA-N 1 2 241.287 0.743 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@H]1C(=O)OC ZINC000756095846 585314256 /nfs/dbraw/zinc/31/42/56/585314256.db2.gz VSLVOEFTPMKJJS-BXKUYDPTSA-N 1 2 241.287 0.743 20 0 BCADLO COC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756130918 585314920 /nfs/dbraw/zinc/31/49/20/585314920.db2.gz LTGCFQFKRZIFRM-MRVPVSSYSA-N 1 2 209.249 0.976 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)OCCF ZINC000859219839 589020881 /nfs/dbraw/zinc/02/08/81/589020881.db2.gz JFUPDJNDXGJXKG-ZJUUUORDSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)OCCF ZINC000859219839 589020883 /nfs/dbraw/zinc/02/08/83/589020883.db2.gz JFUPDJNDXGJXKG-ZJUUUORDSA-N 1 2 248.298 0.791 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000756348826 585317598 /nfs/dbraw/zinc/31/75/98/585317598.db2.gz RVGAJNZMFNZKCZ-SNVBAGLBSA-N 1 2 229.276 0.041 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CCS(C)(=O)=O ZINC000839533690 585328981 /nfs/dbraw/zinc/32/89/81/585328981.db2.gz XRWFNCDWIKIWAY-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CCS(C)(=O)=O ZINC000839533690 585328982 /nfs/dbraw/zinc/32/89/82/585328982.db2.gz XRWFNCDWIKIWAY-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO Cn1cnn(C[N@H+](C)C2CCCC2)c1=O ZINC000758288147 585353051 /nfs/dbraw/zinc/35/30/51/585353051.db2.gz AOSTXOATKHVLLI-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cn1cnn(C[N@@H+](C)C2CCCC2)c1=O ZINC000758288147 585353052 /nfs/dbraw/zinc/35/30/52/585353052.db2.gz AOSTXOATKHVLLI-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO C[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)CC1 ZINC000758307007 585353217 /nfs/dbraw/zinc/35/32/17/585353217.db2.gz OAXPGNBVIOWTPL-JTQLQIEISA-N 1 2 224.308 0.661 20 0 BCADLO C[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)CC1 ZINC000758307007 585353218 /nfs/dbraw/zinc/35/32/18/585353218.db2.gz OAXPGNBVIOWTPL-JTQLQIEISA-N 1 2 224.308 0.661 20 0 BCADLO CC(C)[N@H+](CC1CC1)Cn1ncn(C)c1=O ZINC000758301415 585353538 /nfs/dbraw/zinc/35/35/38/585353538.db2.gz WGQGIRLLICIEGT-UHFFFAOYSA-N 1 2 224.308 0.660 20 0 BCADLO CC(C)[N@@H+](CC1CC1)Cn1ncn(C)c1=O ZINC000758301415 585353539 /nfs/dbraw/zinc/35/35/39/585353539.db2.gz WGQGIRLLICIEGT-UHFFFAOYSA-N 1 2 224.308 0.660 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nc3n(c2=O)CCCC3)C1 ZINC000758317010 585353668 /nfs/dbraw/zinc/35/36/68/585353668.db2.gz JYYBFBMNAQYGOC-JTQLQIEISA-N 1 2 236.319 0.680 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nc3n(c2=O)CCCC3)C1 ZINC000758317010 585353669 /nfs/dbraw/zinc/35/36/69/585353669.db2.gz JYYBFBMNAQYGOC-JTQLQIEISA-N 1 2 236.319 0.680 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1ncn(C)c1=O ZINC000758331837 585354152 /nfs/dbraw/zinc/35/41/52/585354152.db2.gz IIBIXDYHOIXZAS-DTWKUNHWSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1ncn(C)c1=O ZINC000758331837 585354153 /nfs/dbraw/zinc/35/41/53/585354153.db2.gz IIBIXDYHOIXZAS-DTWKUNHWSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cn1nc2n(c1=O)CCCC2 ZINC000758345116 585354413 /nfs/dbraw/zinc/35/44/13/585354413.db2.gz ICHSBTWTSIGUJO-JTQLQIEISA-N 1 2 236.319 0.823 20 0 BCADLO C[C@H]1CCC[N@H+]1Cn1nc2n(c1=O)CCCC2 ZINC000758345116 585354414 /nfs/dbraw/zinc/35/44/14/585354414.db2.gz ICHSBTWTSIGUJO-JTQLQIEISA-N 1 2 236.319 0.823 20 0 BCADLO CC(C)OCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000758465206 585356034 /nfs/dbraw/zinc/35/60/34/585356034.db2.gz XGSYSGYLYMGTLM-UHFFFAOYSA-N 1 2 246.332 0.760 20 0 BCADLO COCCCO[NH+]=C(N)COC(C)C ZINC000758760569 585359784 /nfs/dbraw/zinc/35/97/84/585359784.db2.gz JKSHQQXPNYGSGH-UHFFFAOYSA-N 1 2 204.270 0.946 20 0 BCADLO FCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000759371408 585371722 /nfs/dbraw/zinc/37/17/22/585371722.db2.gz BJWFPWKTUIKZJK-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000759371408 585371723 /nfs/dbraw/zinc/37/17/23/585371723.db2.gz BJWFPWKTUIKZJK-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1c[nH+]cn1C ZINC000759381247 585371948 /nfs/dbraw/zinc/37/19/48/585371948.db2.gz GTJKWPUDCYSPKT-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO Cn1cnn(C[NH+]2CCC(C)(O)CC2)c1=S ZINC000759752393 585379827 /nfs/dbraw/zinc/37/98/27/585379827.db2.gz SBXGLXNLYWIBRB-UHFFFAOYSA-N 1 2 242.348 0.755 20 0 BCADLO C[C@@H]1CC[N@H+](CC2OCCO2)CC[S@]1=O ZINC000759874779 585381265 /nfs/dbraw/zinc/38/12/65/585381265.db2.gz LEVGAQLRMMPBHT-RFAUZJTJSA-N 1 2 233.333 0.202 20 0 BCADLO C[C@@H]1CC[N@@H+](CC2OCCO2)CC[S@]1=O ZINC000759874779 585381266 /nfs/dbraw/zinc/38/12/66/585381266.db2.gz LEVGAQLRMMPBHT-RFAUZJTJSA-N 1 2 233.333 0.202 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000759871453 585381590 /nfs/dbraw/zinc/38/15/90/585381590.db2.gz VFCMGIHGQOKHEM-IINYFYTJSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000759871453 585381591 /nfs/dbraw/zinc/38/15/91/585381591.db2.gz VFCMGIHGQOKHEM-IINYFYTJSA-N 1 2 217.334 0.808 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000759874859 585382238 /nfs/dbraw/zinc/38/22/38/585382238.db2.gz OUDRGNKTHCBYAU-XNWIYYODSA-N 1 2 215.293 0.783 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C1CC(O)C1 ZINC000759874859 585382239 /nfs/dbraw/zinc/38/22/39/585382239.db2.gz OUDRGNKTHCBYAU-XNWIYYODSA-N 1 2 215.293 0.783 20 0 BCADLO O=C(CC1(CO)CC1)OCC[NH+]1CCOCC1 ZINC000759942818 585383300 /nfs/dbraw/zinc/38/33/00/585383300.db2.gz VSRWDTFVVIEQOG-UHFFFAOYSA-N 1 2 243.303 0.024 20 0 BCADLO C[C@@H](C[N@@H+]1CCN(C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077112 585404049 /nfs/dbraw/zinc/40/40/49/585404049.db2.gz KMQRGKGVWNMKRB-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](C[N@H+]1CCN(C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077112 585404050 /nfs/dbraw/zinc/40/40/50/585404050.db2.gz KMQRGKGVWNMKRB-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@H+](C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077112 585404051 /nfs/dbraw/zinc/40/40/51/585404051.db2.gz KMQRGKGVWNMKRB-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](CN1CC[N@@H+](C)[C@H](C)C1)CS(C)(=O)=O ZINC000761077112 585404052 /nfs/dbraw/zinc/40/40/52/585404052.db2.gz KMQRGKGVWNMKRB-WDEREUQCSA-N 1 2 248.392 0.303 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761078740 585406675 /nfs/dbraw/zinc/40/66/75/585406675.db2.gz XTVRNPKBIWBTCL-NWDGAFQWSA-N 1 2 241.379 0.927 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761078740 585406676 /nfs/dbraw/zinc/40/66/76/585406676.db2.gz XTVRNPKBIWBTCL-NWDGAFQWSA-N 1 2 241.379 0.927 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)N[C@H](CC2CC2)C1=O ZINC000761233032 585412717 /nfs/dbraw/zinc/41/27/17/585412717.db2.gz POFLWRORCYJIAR-SECBINFHSA-N 1 2 248.286 0.641 20 0 BCADLO Cn1cc(C[NH+]2CCC(n3cccn3)CC2)nn1 ZINC000761669897 585417876 /nfs/dbraw/zinc/41/78/76/585417876.db2.gz OUTOUVWUVLAQLQ-UHFFFAOYSA-N 1 2 246.318 0.849 20 0 BCADLO CC1CC[NH+](CC(=O)NCC[S@@](C)=O)CC1 ZINC000761751525 585418458 /nfs/dbraw/zinc/41/84/58/585418458.db2.gz ICRNLNBLXMCHEJ-MRXNPFEDSA-N 1 2 246.376 0.213 20 0 BCADLO CC[C@H](C(=O)N=c1nc[nH]n1C)[NH+](CC)CC ZINC000762358001 585431418 /nfs/dbraw/zinc/43/14/18/585431418.db2.gz WNXMCTRIMNQREM-SECBINFHSA-N 1 2 239.323 0.296 20 0 BCADLO C[Si](C)(C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000763154069 585443800 /nfs/dbraw/zinc/44/38/00/585443800.db2.gz XCKPTSXDFSXXPI-UHFFFAOYSA-N 1 2 226.356 0.677 20 0 BCADLO C[Si](C)(C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000763154069 585443801 /nfs/dbraw/zinc/44/38/01/585443801.db2.gz XCKPTSXDFSXXPI-UHFFFAOYSA-N 1 2 226.356 0.677 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=O ZINC000763335012 585446482 /nfs/dbraw/zinc/44/64/82/585446482.db2.gz XQYHMOSYMMOIMY-JTQLQIEISA-N 1 2 222.292 0.271 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@H](C3CC3)C2)c1=O ZINC000763335012 585446483 /nfs/dbraw/zinc/44/64/83/585446483.db2.gz XQYHMOSYMMOIMY-JTQLQIEISA-N 1 2 222.292 0.271 20 0 BCADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCOCCO ZINC000763419897 585447997 /nfs/dbraw/zinc/44/79/97/585447997.db2.gz JTZDQTPYYULONK-JTQLQIEISA-N 1 2 248.323 0.555 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC1(CO)COC1 ZINC000763693427 585452849 /nfs/dbraw/zinc/45/28/49/585452849.db2.gz SWMWBNDXKJGNOO-JTQLQIEISA-N 1 2 243.303 0.023 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCC1(CO)COC1 ZINC000763693427 585452850 /nfs/dbraw/zinc/45/28/50/585452850.db2.gz SWMWBNDXKJGNOO-JTQLQIEISA-N 1 2 243.303 0.023 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764201686 585461254 /nfs/dbraw/zinc/46/12/54/585461254.db2.gz OUCAQPHNMLYBQG-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201686 585461255 /nfs/dbraw/zinc/46/12/55/585461255.db2.gz OUCAQPHNMLYBQG-UWVGGRQHSA-N 1 2 243.351 0.358 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NCC(C)C ZINC000764202291 585461325 /nfs/dbraw/zinc/46/13/25/585461325.db2.gz FWSMLGGMILWPIE-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NCC(C)C ZINC000764202291 585461326 /nfs/dbraw/zinc/46/13/26/585461326.db2.gz FWSMLGGMILWPIE-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO COC(=O)CCCC(=O)OCCn1cc[nH+]c1 ZINC000764581324 585468481 /nfs/dbraw/zinc/46/84/81/585468481.db2.gz CUATXUHNTXISRI-UHFFFAOYSA-N 1 2 240.259 0.770 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H](O)C(C)(C)C)CC1 ZINC000764581266 585468491 /nfs/dbraw/zinc/46/84/91/585468491.db2.gz OXEOPWOFIFTBNN-VIFPVBQESA-N 1 2 214.309 0.167 20 0 BCADLO CC1(CNC(=O)CCc2c[nH+]c[nH]2)OCCO1 ZINC000764625404 585469092 /nfs/dbraw/zinc/46/90/92/585469092.db2.gz KJPKDTKZWBLOLC-UHFFFAOYSA-N 1 2 239.275 0.222 20 0 BCADLO CC1(CNC(=O)CCc2c[nH]c[nH+]2)OCCO1 ZINC000764625404 585469093 /nfs/dbraw/zinc/46/90/93/585469093.db2.gz KJPKDTKZWBLOLC-UHFFFAOYSA-N 1 2 239.275 0.222 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](O)C(C)(C)C ZINC000765128950 585481557 /nfs/dbraw/zinc/48/15/57/585481557.db2.gz FSCUXROGXBXMFE-VIFPVBQESA-N 1 2 225.292 0.741 20 0 BCADLO C[C@@H](CO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000765220200 585482965 /nfs/dbraw/zinc/48/29/65/585482965.db2.gz XRJPPLNNPUJRLQ-VIFPVBQESA-N 1 2 233.271 0.787 20 0 BCADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000765580790 585490343 /nfs/dbraw/zinc/49/03/43/585490343.db2.gz UUUNCCBUEZMKKJ-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000765580790 585490344 /nfs/dbraw/zinc/49/03/44/585490344.db2.gz UUUNCCBUEZMKKJ-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO CC[N@@H+]1C[C@@H](C)N(CCS(C)(=O)=O)C[C@H]1C ZINC000766253853 585499656 /nfs/dbraw/zinc/49/96/56/585499656.db2.gz LEPWNEGUBPBTAY-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CC[N@H+]1C[C@@H](C)N(CCS(C)(=O)=O)C[C@H]1C ZINC000766253853 585499657 /nfs/dbraw/zinc/49/96/57/585499657.db2.gz LEPWNEGUBPBTAY-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@@H](C)[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC000766253853 585499659 /nfs/dbraw/zinc/49/96/59/585499659.db2.gz LEPWNEGUBPBTAY-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@@H](C)[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC000766253853 585499660 /nfs/dbraw/zinc/49/96/60/585499660.db2.gz LEPWNEGUBPBTAY-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCNC1=O ZINC000767349219 585516936 /nfs/dbraw/zinc/51/69/36/585516936.db2.gz JZCQEHOEUDDPMH-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCNC1=O ZINC000767349219 585516937 /nfs/dbraw/zinc/51/69/37/585516937.db2.gz JZCQEHOEUDDPMH-NXEZZACHSA-N 1 2 240.303 0.293 20 0 BCADLO COCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767533889 585522065 /nfs/dbraw/zinc/52/20/65/585522065.db2.gz RXLPRFISRGIXJG-PHIMTYICSA-N 1 2 243.303 0.429 20 0 BCADLO COCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767533889 585522066 /nfs/dbraw/zinc/52/20/66/585522066.db2.gz RXLPRFISRGIXJG-PHIMTYICSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCC2OCCO2)no1 ZINC000767801095 585526222 /nfs/dbraw/zinc/52/62/22/585526222.db2.gz JDKDBPLUGXUOLQ-UHFFFAOYSA-N 1 2 241.291 0.966 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](CO)C1CC1 ZINC000767899230 585527716 /nfs/dbraw/zinc/52/77/16/585527716.db2.gz FYHCTKSXBCDPRY-NSHDSACASA-N 1 2 235.287 0.704 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](CO)C2CC2)cc[nH+]1 ZINC000767895166 585527762 /nfs/dbraw/zinc/52/77/62/585527762.db2.gz IJBVRFSMDZBWNS-NSHDSACASA-N 1 2 235.287 0.704 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@@H](O)COC(C)C ZINC000768298608 585535359 /nfs/dbraw/zinc/53/53/59/585535359.db2.gz DCOUYVAIQWMOMR-JTQLQIEISA-N 1 2 248.323 0.696 20 0 BCADLO CC(C)(F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000768444225 585538726 /nfs/dbraw/zinc/53/87/26/585538726.db2.gz WCVJKWCUXDTCNE-SNVBAGLBSA-N 1 2 244.310 0.668 20 0 BCADLO C/C=C\C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000768530061 585539653 /nfs/dbraw/zinc/53/96/53/585539653.db2.gz FIMOZNTWPRXUKN-IHWYPQMZSA-N 1 2 234.303 0.630 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC000768812418 585543857 /nfs/dbraw/zinc/54/38/57/585543857.db2.gz IUGRQYHYWCGITA-ONGXEEELSA-N 1 2 245.282 0.787 20 0 BCADLO CNC(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768933571 585546468 /nfs/dbraw/zinc/54/64/68/585546468.db2.gz UTLAZISEKWPRJV-UHFFFAOYSA-N 1 2 217.269 0.046 20 0 BCADLO CC[C@@H](O[NH+]=C(N)COC(C)(C)C)C(N)=O ZINC000768935015 585546556 /nfs/dbraw/zinc/54/65/56/585546556.db2.gz QTULCKFHNDGTFF-SSDOTTSWSA-N 1 2 231.296 0.564 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)OC[C@H]1CCCO1 ZINC000859236112 589023184 /nfs/dbraw/zinc/02/31/84/589023184.db2.gz UAEFVSANKCBRHP-SECBINFHSA-N 1 2 225.248 0.815 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)OC[C@H]1CCCO1 ZINC000859236112 589023186 /nfs/dbraw/zinc/02/31/86/589023186.db2.gz UAEFVSANKCBRHP-SECBINFHSA-N 1 2 225.248 0.815 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)NCCCF)CCO1 ZINC000769086828 585548779 /nfs/dbraw/zinc/54/87/79/585548779.db2.gz QRENRBBQKMVHFF-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)NCCCF)CCO1 ZINC000769086828 585548780 /nfs/dbraw/zinc/54/87/80/585548780.db2.gz QRENRBBQKMVHFF-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO CC1(C)OC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000769276992 585552300 /nfs/dbraw/zinc/55/23/00/585552300.db2.gz QCRQHNGMLQFIBW-VIFPVBQESA-N 1 2 239.275 0.151 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)Cc1cncnc1 ZINC000769423284 585556196 /nfs/dbraw/zinc/55/61/96/585556196.db2.gz DZZMBISWEFPZSZ-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)Cc1cncnc1 ZINC000769423284 585556197 /nfs/dbraw/zinc/55/61/97/585556197.db2.gz DZZMBISWEFPZSZ-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CN(C)c1ccc(CNC(=O)CC2COC2)c[nH+]1 ZINC000769689070 585561933 /nfs/dbraw/zinc/56/19/33/585561933.db2.gz AYMFUAYEDBSJLX-UHFFFAOYSA-N 1 2 249.314 0.800 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769791132 585563598 /nfs/dbraw/zinc/56/35/98/585563598.db2.gz FTCISXQHEQKWFD-IUCAKERBSA-N 1 2 231.365 0.190 20 0 BCADLO CCNC(=S)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791132 585563599 /nfs/dbraw/zinc/56/35/99/585563599.db2.gz FTCISXQHEQKWFD-IUCAKERBSA-N 1 2 231.365 0.190 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000769903650 585566154 /nfs/dbraw/zinc/56/61/54/585566154.db2.gz NVUCUYZTTPBODV-JGVFFNPUSA-N 1 2 240.130 0.873 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000769903650 585566155 /nfs/dbraw/zinc/56/61/55/585566155.db2.gz NVUCUYZTTPBODV-JGVFFNPUSA-N 1 2 240.130 0.873 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H]1CCNC1=O ZINC000769990670 585568910 /nfs/dbraw/zinc/56/89/10/585568910.db2.gz QLJGWBAEFJFFKU-VIFPVBQESA-N 1 2 249.270 0.477 20 0 BCADLO CC(=O)NCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770396787 585573594 /nfs/dbraw/zinc/57/35/94/585573594.db2.gz YQNPLNMFHXWOHK-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO C[C@H]1CN(C(=O)c2nccs2)CC[N@@H+]1C ZINC000770537780 585575895 /nfs/dbraw/zinc/57/58/95/585575895.db2.gz VJUMHKGASDEBIH-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO C[C@H]1CN(C(=O)c2nccs2)CC[N@H+]1C ZINC000770537780 585575896 /nfs/dbraw/zinc/57/58/96/585575896.db2.gz VJUMHKGASDEBIH-QMMMGPOBSA-N 1 2 225.317 0.919 20 0 BCADLO CO[C@H](C(=O)OCC[NH+]1CCOCC1)C(C)C ZINC000770629384 585578235 /nfs/dbraw/zinc/57/82/35/585578235.db2.gz OZUFYUIOSMCPEZ-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000771057184 585589265 /nfs/dbraw/zinc/58/92/65/585589265.db2.gz IKHFRQZZEVROCX-PWSUYJOCSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@@H](NC(=O)C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000771093864 585590035 /nfs/dbraw/zinc/59/00/35/585590035.db2.gz RNWYXJCAHZXGPH-RQJHMYQMSA-N 1 2 240.225 0.384 20 0 BCADLO C[C@@H](NC(=O)C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000771093864 585590036 /nfs/dbraw/zinc/59/00/36/585590036.db2.gz RNWYXJCAHZXGPH-RQJHMYQMSA-N 1 2 240.225 0.384 20 0 BCADLO COCc1nc(C[NH2+][C@@H](CCO)C2CC2)no1 ZINC000771799551 585600468 /nfs/dbraw/zinc/60/04/68/585600468.db2.gz BALVLIHWIXEDAJ-VIFPVBQESA-N 1 2 241.291 0.467 20 0 BCADLO CO[C@@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000771937965 585605080 /nfs/dbraw/zinc/60/50/80/585605080.db2.gz MVSGFXSLADBMBV-VIFPVBQESA-N 1 2 212.249 0.851 20 0 BCADLO CC(C)(CO)C(=O)OCCn1cc[nH+]c1 ZINC000771949302 585605284 /nfs/dbraw/zinc/60/52/84/585605284.db2.gz JZFWSUCDPBUJSD-UHFFFAOYSA-N 1 2 212.249 0.445 20 0 BCADLO CC(C)OCC(=O)OCCn1cc[nH+]c1 ZINC000771939883 585605360 /nfs/dbraw/zinc/60/53/60/585605360.db2.gz VTVOVZDWPILPIY-UHFFFAOYSA-N 1 2 212.249 0.851 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1ccc(CO)o1 ZINC000771970961 585605741 /nfs/dbraw/zinc/60/57/41/585605741.db2.gz CLUFUGQUWCAATC-UHFFFAOYSA-N 1 2 236.227 0.825 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1cccnc1 ZINC000771977142 585606176 /nfs/dbraw/zinc/60/61/76/585606176.db2.gz HWQZCKCYBXGMMJ-LBPRGKRZSA-N 1 2 232.287 0.936 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCCn1ccnc1 ZINC000771978803 585606200 /nfs/dbraw/zinc/60/62/00/585606200.db2.gz PBQZJSHCEBGZSQ-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCCn1ccnc1 ZINC000771978803 585606201 /nfs/dbraw/zinc/60/62/01/585606201.db2.gz PBQZJSHCEBGZSQ-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCC1(C(=O)OCCn2cc[nH+]c2)COC1 ZINC000771995736 585606251 /nfs/dbraw/zinc/60/62/51/585606251.db2.gz UZEMIDYESJTMGI-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO NC(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)o1 ZINC000772013965 585606848 /nfs/dbraw/zinc/60/68/48/585606848.db2.gz QJHROBVNRSAJSY-UHFFFAOYSA-N 1 2 249.226 0.432 20 0 BCADLO CCC[C@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000772012057 585606961 /nfs/dbraw/zinc/60/69/61/585606961.db2.gz AOTOSLALLRQXTE-NSHDSACASA-N 1 2 226.276 0.977 20 0 BCADLO C[C@](O)(CC(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000772035866 585607338 /nfs/dbraw/zinc/60/73/38/585607338.db2.gz VFLPXUYXYCBTMV-LBPRGKRZSA-N 1 2 238.287 0.977 20 0 BCADLO C[C@@](O)(CC(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000772035864 585607472 /nfs/dbraw/zinc/60/74/72/585607472.db2.gz VFLPXUYXYCBTMV-GFCCVEGCSA-N 1 2 238.287 0.977 20 0 BCADLO CC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772046630 585607474 /nfs/dbraw/zinc/60/74/74/585607474.db2.gz KUDIVZHGBBCJLD-UWVGGRQHSA-N 1 2 245.344 0.944 20 0 BCADLO CC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772046630 585607475 /nfs/dbraw/zinc/60/74/75/585607475.db2.gz KUDIVZHGBBCJLD-UWVGGRQHSA-N 1 2 245.344 0.944 20 0 BCADLO CCC(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805468826 585620771 /nfs/dbraw/zinc/62/07/71/585620771.db2.gz AAJXUJGBYIEWJH-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CCC(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805468826 585620772 /nfs/dbraw/zinc/62/07/72/585620772.db2.gz AAJXUJGBYIEWJH-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCN1CCOC1=O ZINC000772741959 585622507 /nfs/dbraw/zinc/62/25/07/585622507.db2.gz OFQHVKCCFHBLCP-UHFFFAOYSA-N 1 2 244.291 0.370 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cn[nH]c2)C1 ZINC000805471257 585623972 /nfs/dbraw/zinc/62/39/72/585623972.db2.gz DQNHPLWZDPWSPT-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cn[nH]c2)C1 ZINC000805471257 585623973 /nfs/dbraw/zinc/62/39/73/585623973.db2.gz DQNHPLWZDPWSPT-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO O=C(Cn1cc[nH+]c1)NN1CCCCC1 ZINC000772845454 585625279 /nfs/dbraw/zinc/62/52/79/585625279.db2.gz KCPLJIBVMYEJNM-UHFFFAOYSA-N 1 2 208.265 0.400 20 0 BCADLO CC[C@H](CSC)[N@H+](C)Cn1ncn(C)c1=O ZINC000773259629 585634366 /nfs/dbraw/zinc/63/43/66/585634366.db2.gz WYULOYYNHCOBMW-SECBINFHSA-N 1 2 244.364 0.613 20 0 BCADLO CC[C@H](CSC)[N@@H+](C)Cn1ncn(C)c1=O ZINC000773259629 585634367 /nfs/dbraw/zinc/63/43/67/585634367.db2.gz WYULOYYNHCOBMW-SECBINFHSA-N 1 2 244.364 0.613 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1 ZINC000774072613 585649658 /nfs/dbraw/zinc/64/96/58/585649658.db2.gz SWGAAYMNMCVLJP-UWVGGRQHSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1 ZINC000774072613 585649659 /nfs/dbraw/zinc/64/96/59/585649659.db2.gz SWGAAYMNMCVLJP-UWVGGRQHSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1 ZINC000774072616 585649726 /nfs/dbraw/zinc/64/97/26/585649726.db2.gz SWGAAYMNMCVLJP-ZJUUUORDSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1 ZINC000774072616 585649727 /nfs/dbraw/zinc/64/97/27/585649727.db2.gz SWGAAYMNMCVLJP-ZJUUUORDSA-N 1 2 213.277 0.803 20 0 BCADLO CC(=O)OCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000774187541 585653010 /nfs/dbraw/zinc/65/30/10/585653010.db2.gz GFQZLDPQXSCXIZ-UHFFFAOYSA-N 1 2 211.221 0.011 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)OC ZINC000774555230 585660540 /nfs/dbraw/zinc/66/05/40/585660540.db2.gz GVKFIRPGMZKJGS-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)OC ZINC000774555230 585660541 /nfs/dbraw/zinc/66/05/41/585660541.db2.gz GVKFIRPGMZKJGS-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1scnc1C ZINC000774618742 585662251 /nfs/dbraw/zinc/66/22/51/585662251.db2.gz NGZYDQRZGIINNZ-UHFFFAOYSA-N 1 2 243.332 0.903 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000774618742 585662252 /nfs/dbraw/zinc/66/22/52/585662252.db2.gz NGZYDQRZGIINNZ-UHFFFAOYSA-N 1 2 243.332 0.903 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000774660886 585662824 /nfs/dbraw/zinc/66/28/24/585662824.db2.gz BKANBQXWSRTWRN-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000774660886 585662825 /nfs/dbraw/zinc/66/28/25/585662825.db2.gz BKANBQXWSRTWRN-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000774660885 585663058 /nfs/dbraw/zinc/66/30/58/585663058.db2.gz BKANBQXWSRTWRN-SECBINFHSA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000774660885 585663059 /nfs/dbraw/zinc/66/30/59/585663059.db2.gz BKANBQXWSRTWRN-SECBINFHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(C)OC ZINC000774740665 585664638 /nfs/dbraw/zinc/66/46/38/585664638.db2.gz YWJCLOVGXYHZOY-LLVKDONJSA-N 1 2 230.308 0.507 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(C)OC ZINC000774740665 585664639 /nfs/dbraw/zinc/66/46/39/585664639.db2.gz YWJCLOVGXYHZOY-LLVKDONJSA-N 1 2 230.308 0.507 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774958254 585669548 /nfs/dbraw/zinc/66/95/48/585669548.db2.gz CTAVVLXOBPWMSG-ZETCQYMHSA-N 1 2 240.263 0.038 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774958254 585669549 /nfs/dbraw/zinc/66/95/49/585669549.db2.gz CTAVVLXOBPWMSG-ZETCQYMHSA-N 1 2 240.263 0.038 20 0 BCADLO COc1cc[nH+]cc1COC(=O)C1COC1 ZINC000805536085 585672633 /nfs/dbraw/zinc/67/26/33/585672633.db2.gz XPFTXDMALLZXLZ-UHFFFAOYSA-N 1 2 223.228 0.780 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC1OCCO1 ZINC000775806561 585685661 /nfs/dbraw/zinc/68/56/61/585685661.db2.gz KGOVXOQGAARQHL-VHSXEESVSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC1OCCO1 ZINC000775806561 585685662 /nfs/dbraw/zinc/68/56/62/585685662.db2.gz KGOVXOQGAARQHL-VHSXEESVSA-N 1 2 243.303 0.633 20 0 BCADLO COCC1=CC[N@H+](CCS(C)(=O)=O)CC1 ZINC000775829370 585686129 /nfs/dbraw/zinc/68/61/29/585686129.db2.gz JSNUSLAELATGNI-UHFFFAOYSA-N 1 2 233.333 0.310 20 0 BCADLO COCC1=CC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000775829370 585686130 /nfs/dbraw/zinc/68/61/30/585686130.db2.gz JSNUSLAELATGNI-UHFFFAOYSA-N 1 2 233.333 0.310 20 0 BCADLO CON(C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000776564366 585700636 /nfs/dbraw/zinc/70/06/36/585700636.db2.gz PYXXFUNKPGZZCN-UHFFFAOYSA-N 1 2 248.286 0.557 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000776600679 585700931 /nfs/dbraw/zinc/70/09/31/585700931.db2.gz DNDKEGCQNWEURQ-UWVGGRQHSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000776600679 585700932 /nfs/dbraw/zinc/70/09/32/585700932.db2.gz DNDKEGCQNWEURQ-UWVGGRQHSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000776581738 585701127 /nfs/dbraw/zinc/70/11/27/585701127.db2.gz LKOGPAIWFMLROR-UHFFFAOYSA-N 1 2 245.319 0.317 20 0 BCADLO Cc1nonc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776879306 585706625 /nfs/dbraw/zinc/70/66/25/585706625.db2.gz SVVDMTVNFVPNBP-VIFPVBQESA-N 1 2 234.263 0.417 20 0 BCADLO Cc1nonc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776879306 585706626 /nfs/dbraw/zinc/70/66/26/585706626.db2.gz SVVDMTVNFVPNBP-VIFPVBQESA-N 1 2 234.263 0.417 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777456300 585712762 /nfs/dbraw/zinc/71/27/62/585712762.db2.gz ORABYZNKEIOTQN-SSDOTTSWSA-N 1 2 232.247 0.505 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000777552372 585714692 /nfs/dbraw/zinc/71/46/92/585714692.db2.gz ADKAPJAGCFVFIB-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@H+]1CC1OCCO1 ZINC000777552372 585714693 /nfs/dbraw/zinc/71/46/93/585714693.db2.gz ADKAPJAGCFVFIB-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO CC[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000777554710 585715128 /nfs/dbraw/zinc/71/51/28/585715128.db2.gz GJMSFIZYEHMVRI-SECBINFHSA-N 1 2 201.266 0.470 20 0 BCADLO CC[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000777554710 585715129 /nfs/dbraw/zinc/71/51/29/585715129.db2.gz GJMSFIZYEHMVRI-SECBINFHSA-N 1 2 201.266 0.470 20 0 BCADLO c1nc(C2CC[NH+](CC3OCCO3)CC2)n[nH]1 ZINC000777597234 585717034 /nfs/dbraw/zinc/71/70/34/585717034.db2.gz BHXIPLARWCKICP-UHFFFAOYSA-N 1 2 238.291 0.357 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000777714127 585718765 /nfs/dbraw/zinc/71/87/65/585718765.db2.gz WAVPRRSFGMZGQM-JGVFFNPUSA-N 1 2 209.249 0.810 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000777714127 585718766 /nfs/dbraw/zinc/71/87/66/585718766.db2.gz WAVPRRSFGMZGQM-JGVFFNPUSA-N 1 2 209.249 0.810 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOCC12CCC2 ZINC000777712288 585719148 /nfs/dbraw/zinc/71/91/48/585719148.db2.gz JSVPHCPIDSTUPJ-UHFFFAOYSA-N 1 2 213.277 0.614 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOCC12CCC2 ZINC000777712288 585719149 /nfs/dbraw/zinc/71/91/49/585719149.db2.gz JSVPHCPIDSTUPJ-UHFFFAOYSA-N 1 2 213.277 0.614 20 0 BCADLO C[C@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C[C@H]1F ZINC000777968382 585724794 /nfs/dbraw/zinc/72/47/94/585724794.db2.gz OMPGGFHFDAJHBA-DTWKUNHWSA-N 1 2 243.282 0.518 20 0 BCADLO C[C@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C[C@H]1F ZINC000777968382 585724795 /nfs/dbraw/zinc/72/47/95/585724795.db2.gz OMPGGFHFDAJHBA-DTWKUNHWSA-N 1 2 243.282 0.518 20 0 BCADLO CC[N@H+](C[C@@H](O)C(F)(F)F)CC1OCCO1 ZINC000778201508 585727440 /nfs/dbraw/zinc/72/74/40/585727440.db2.gz JEWMXQJCCNDCJI-SSDOTTSWSA-N 1 2 243.225 0.604 20 0 BCADLO CC[N@@H+](C[C@@H](O)C(F)(F)F)CC1OCCO1 ZINC000778201508 585727441 /nfs/dbraw/zinc/72/74/41/585727441.db2.gz JEWMXQJCCNDCJI-SSDOTTSWSA-N 1 2 243.225 0.604 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000778240085 585728658 /nfs/dbraw/zinc/72/86/58/585728658.db2.gz XBOLWRZPZQJVPL-BDAKNGLRSA-N 1 2 218.272 0.686 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000778240085 585728659 /nfs/dbraw/zinc/72/86/59/585728659.db2.gz XBOLWRZPZQJVPL-BDAKNGLRSA-N 1 2 218.272 0.686 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2CC1OCCO1 ZINC000778246451 585729263 /nfs/dbraw/zinc/72/92/63/585729263.db2.gz JQTBXXOBJHVXQU-LLVKDONJSA-N 1 2 227.260 0.141 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2CC1OCCO1 ZINC000778246451 585729264 /nfs/dbraw/zinc/72/92/64/585729264.db2.gz JQTBXXOBJHVXQU-LLVKDONJSA-N 1 2 227.260 0.141 20 0 BCADLO CC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805609647 585736063 /nfs/dbraw/zinc/73/60/63/585736063.db2.gz CJFXCGAKAOWXGD-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(C)F)CC[N@@H+]1CCO ZINC000779125734 585745359 /nfs/dbraw/zinc/74/53/59/585745359.db2.gz ZXQURKWUSCRLQE-VIFPVBQESA-N 1 2 232.299 0.260 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(C)F)CC[N@H+]1CCO ZINC000779125734 585745360 /nfs/dbraw/zinc/74/53/60/585745360.db2.gz ZXQURKWUSCRLQE-VIFPVBQESA-N 1 2 232.299 0.260 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccc(F)nc2)C1=O ZINC000779157607 585746523 /nfs/dbraw/zinc/74/65/23/585746523.db2.gz FVJHFQSYIZUPHE-SNVBAGLBSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(F)nc2)C1=O ZINC000779157607 585746524 /nfs/dbraw/zinc/74/65/24/585746524.db2.gz FVJHFQSYIZUPHE-SNVBAGLBSA-N 1 2 237.278 0.883 20 0 BCADLO C[C@H](CCO)[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000779418127 585754385 /nfs/dbraw/zinc/75/43/85/585754385.db2.gz RWSFWTKHOWWHLY-SECBINFHSA-N 1 2 238.287 0.734 20 0 BCADLO CC[C@@H](CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000779776453 585762104 /nfs/dbraw/zinc/76/21/04/585762104.db2.gz BYOPLQHQCIMLEJ-VIFPVBQESA-N 1 2 223.276 0.285 20 0 BCADLO CC[C@H](CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000779776452 585762112 /nfs/dbraw/zinc/76/21/12/585762112.db2.gz BYOPLQHQCIMLEJ-SECBINFHSA-N 1 2 223.276 0.285 20 0 BCADLO CC[C@@H](CO)C(=O)NCCCCn1cc[nH+]c1 ZINC000779779776 585762561 /nfs/dbraw/zinc/76/25/61/585762561.db2.gz JLOABYCNPFXGPQ-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO CC[C@@H](CO)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000779814492 585766614 /nfs/dbraw/zinc/76/66/14/585766614.db2.gz FBORWKDMRCMHPH-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO CC(C)[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000780496552 585779469 /nfs/dbraw/zinc/77/94/69/585779469.db2.gz JNPDLGYUDAMTBY-NSHDSACASA-N 1 2 238.335 0.907 20 0 BCADLO CC(C)[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000780496552 585779470 /nfs/dbraw/zinc/77/94/70/585779470.db2.gz JNPDLGYUDAMTBY-NSHDSACASA-N 1 2 238.335 0.907 20 0 BCADLO Cc1nc(N2CCC3(CNC(=O)O3)CC2)cc[nH+]1 ZINC000780651773 585782660 /nfs/dbraw/zinc/78/26/60/585782660.db2.gz FYKBYTUHPVJAAY-UHFFFAOYSA-N 1 2 248.286 0.864 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nnc2n1CCCC2 ZINC000781035432 585789031 /nfs/dbraw/zinc/78/90/31/585789031.db2.gz AQCILZOGUZBCFV-UHFFFAOYSA-N 1 2 246.274 0.450 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1ccnn1C ZINC000781155633 585791638 /nfs/dbraw/zinc/79/16/38/585791638.db2.gz LCMUFLCSCUMHQQ-SSDOTTSWSA-N 1 2 212.253 0.453 20 0 BCADLO CCn1cc(CC(=O)OCCn2cc[nH+]c2)cn1 ZINC000781418848 585795755 /nfs/dbraw/zinc/79/57/55/585795755.db2.gz IHALYMYEPZVZKB-UHFFFAOYSA-N 1 2 248.286 0.885 20 0 BCADLO Cn1c[nH+]cc1COC(=O)/C=C\c1ccncn1 ZINC000781497912 585797684 /nfs/dbraw/zinc/79/76/84/585797684.db2.gz QTBLIXFRFDAMFL-IHWYPQMZSA-N 1 2 244.254 0.967 20 0 BCADLO Cc1cn2c([nH+]1)CN(CN1C[C@@H](C)CC1=O)CC2 ZINC000782280824 585813753 /nfs/dbraw/zinc/81/37/53/585813753.db2.gz TUTMXHZSSPEFAJ-JTQLQIEISA-N 1 2 248.330 0.833 20 0 BCADLO CCOCCO[NH+]=C(N)COC(C)C ZINC000782320981 585814916 /nfs/dbraw/zinc/81/49/16/585814916.db2.gz MEUFJDDEUGPEKF-UHFFFAOYSA-N 1 2 204.270 0.946 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)COC(C)C ZINC000782322503 585814923 /nfs/dbraw/zinc/81/49/23/585814923.db2.gz XZHKDXJWQWLWEG-QMMMGPOBSA-N 1 2 204.270 0.945 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCOC[C@@H]1CCCO1 ZINC000782336822 585815398 /nfs/dbraw/zinc/81/53/98/585815398.db2.gz GDVOFIXXAIHRGR-UWVGGRQHSA-N 1 2 246.307 0.715 20 0 BCADLO CCOC(C[N@@H+]1CC(=O)N(C)C[C@@H]1C)OCC ZINC000782586849 585821120 /nfs/dbraw/zinc/82/11/20/585821120.db2.gz WDWCVURIVCZNND-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@H+]1CC(=O)N(C)C[C@@H]1C)OCC ZINC000782586849 585821121 /nfs/dbraw/zinc/82/11/21/585821121.db2.gz WDWCVURIVCZNND-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOC(C)(C)C ZINC000782592983 585821285 /nfs/dbraw/zinc/82/12/85/585821285.db2.gz BWQPARJZNLJWOG-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOC(C)(C)C ZINC000782592983 585821286 /nfs/dbraw/zinc/82/12/86/585821286.db2.gz BWQPARJZNLJWOG-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nccs1)C2 ZINC000782610035 585821990 /nfs/dbraw/zinc/82/19/90/585821990.db2.gz UDJPOVBIXSAQEX-SCZZXKLOSA-N 1 2 210.302 0.957 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nccs1)C2 ZINC000782610035 585821991 /nfs/dbraw/zinc/82/19/91/585821991.db2.gz UDJPOVBIXSAQEX-SCZZXKLOSA-N 1 2 210.302 0.957 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000782619072 585822706 /nfs/dbraw/zinc/82/27/06/585822706.db2.gz CPUBKABBFTXSDE-KCJUWKMLSA-N 1 2 222.292 0.181 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000782619072 585822707 /nfs/dbraw/zinc/82/27/07/585822707.db2.gz CPUBKABBFTXSDE-KCJUWKMLSA-N 1 2 222.292 0.181 20 0 BCADLO Cc1nonc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782619239 585822843 /nfs/dbraw/zinc/82/28/43/585822843.db2.gz DPXLPOBIIDGXMI-SCZZXKLOSA-N 1 2 209.249 0.192 20 0 BCADLO Cc1nonc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782619239 585822844 /nfs/dbraw/zinc/82/28/44/585822844.db2.gz DPXLPOBIIDGXMI-SCZZXKLOSA-N 1 2 209.249 0.192 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC000782634521 585823598 /nfs/dbraw/zinc/82/35/98/585823598.db2.gz RPIMBCFEXPMUOU-JOYOIKCWSA-N 1 2 235.287 0.761 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC000782634521 585823599 /nfs/dbraw/zinc/82/35/99/585823599.db2.gz RPIMBCFEXPMUOU-JOYOIKCWSA-N 1 2 235.287 0.761 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1COCCO1 ZINC000782792983 585824540 /nfs/dbraw/zinc/82/45/40/585824540.db2.gz MAPSEOXRSYYQKM-SNVBAGLBSA-N 1 2 240.259 0.232 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H]3C[C@@]3(CO)C2)cc[nH+]1 ZINC000782802440 585824706 /nfs/dbraw/zinc/82/47/06/585824706.db2.gz PWIMXSVGDCCQIL-MFKMUULPSA-N 1 2 247.298 0.658 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000783734897 585841052 /nfs/dbraw/zinc/84/10/52/585841052.db2.gz WTJUXKXVUUWRRD-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000783734897 585841053 /nfs/dbraw/zinc/84/10/53/585841053.db2.gz WTJUXKXVUUWRRD-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOC1CCC1 ZINC000805752141 585843279 /nfs/dbraw/zinc/84/32/79/585843279.db2.gz ZCGBYTQQAUPATR-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOC1CCC1 ZINC000805752141 585843280 /nfs/dbraw/zinc/84/32/80/585843280.db2.gz ZCGBYTQQAUPATR-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C(CCc1nnc[nH]1)OCCCn1cc[nH+]c1 ZINC000784084929 585848953 /nfs/dbraw/zinc/84/89/53/585848953.db2.gz ORRPGPJUFMASLO-UHFFFAOYSA-N 1 2 249.274 0.567 20 0 BCADLO O=C(CCc1nc[nH]n1)OCCCn1cc[nH+]c1 ZINC000784084929 585848954 /nfs/dbraw/zinc/84/89/54/585848954.db2.gz ORRPGPJUFMASLO-UHFFFAOYSA-N 1 2 249.274 0.567 20 0 BCADLO O=C(CC1(CO)CC1)OCCCn1cc[nH+]c1 ZINC000784138771 585851190 /nfs/dbraw/zinc/85/11/90/585851190.db2.gz LMUAMSZHEUZFSH-UHFFFAOYSA-N 1 2 238.287 0.979 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1ccnnc1 ZINC000784361842 585857059 /nfs/dbraw/zinc/85/70/59/585857059.db2.gz BSLMFSLKTFESFM-UHFFFAOYSA-N 1 2 232.243 0.920 20 0 BCADLO COC[C@@H]1C[N@H+](CC2OCCO2)C[C@H](C)O1 ZINC000784370486 585857415 /nfs/dbraw/zinc/85/74/15/585857415.db2.gz UPROCXYOEUKWNF-UWVGGRQHSA-N 1 2 231.292 0.095 20 0 BCADLO COC[C@@H]1C[N@@H+](CC2OCCO2)C[C@H](C)O1 ZINC000784370486 585857416 /nfs/dbraw/zinc/85/74/16/585857416.db2.gz UPROCXYOEUKWNF-UWVGGRQHSA-N 1 2 231.292 0.095 20 0 BCADLO C[C@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)CO1 ZINC000784523077 585862360 /nfs/dbraw/zinc/86/23/60/585862360.db2.gz FMVZFICHZNMVLE-IUCAKERBSA-N 1 2 224.260 0.888 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)C1COC1 ZINC000784880093 585867562 /nfs/dbraw/zinc/86/75/62/585867562.db2.gz UFTMHAJNJKRNIO-UHFFFAOYSA-N 1 2 210.233 0.463 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(C)COC1 ZINC000784905128 585868265 /nfs/dbraw/zinc/86/82/65/585868265.db2.gz BDZGSAAGKISHIP-SNVBAGLBSA-N 1 2 243.303 0.287 20 0 BCADLO CC[C@H](OC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784917412 585868447 /nfs/dbraw/zinc/86/84/47/585868447.db2.gz KAPKBDBOJGZBMU-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCCOCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784914042 585868560 /nfs/dbraw/zinc/86/85/60/585868560.db2.gz JWAZJTLZSMBMTR-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H](c1nc(Cn2ccccc2=O)no1)[NH+](C)C ZINC000785559120 585875616 /nfs/dbraw/zinc/87/56/16/585875616.db2.gz KQRXXJSLVANNKP-VIFPVBQESA-N 1 2 248.286 0.902 20 0 BCADLO Cc1[nH]ncc1C(=O)OCCn1cc[nH+]c1 ZINC000785588056 585876253 /nfs/dbraw/zinc/87/62/53/585876253.db2.gz AXLYPGRUVTZGJA-UHFFFAOYSA-N 1 2 220.232 0.772 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000785985868 585884644 /nfs/dbraw/zinc/88/46/44/585884644.db2.gz RRWMHXFNGFDDMT-SECBINFHSA-N 1 2 230.289 0.142 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000785985868 585884645 /nfs/dbraw/zinc/88/46/45/585884645.db2.gz RRWMHXFNGFDDMT-SECBINFHSA-N 1 2 230.289 0.142 20 0 BCADLO Cc1cc(NC(=O)c2cnn(C)n2)c(C)c[nH+]1 ZINC000786414213 585891069 /nfs/dbraw/zinc/89/10/69/585891069.db2.gz VIOXGDAOBULGFC-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO CC(C)(O)CCC(=O)NC1=[NH+]CCS1 ZINC000786735148 585896951 /nfs/dbraw/zinc/89/69/51/585896951.db2.gz NSWWKMMEVBFURT-UHFFFAOYSA-N 1 2 216.306 0.757 20 0 BCADLO O=C1C[N@H+](CCOCC(F)F)CCCN1 ZINC000787213768 585903364 /nfs/dbraw/zinc/90/33/64/585903364.db2.gz CQOGAFKMEHXEMI-UHFFFAOYSA-N 1 2 222.235 0.090 20 0 BCADLO O=C1C[N@@H+](CCOCC(F)F)CCCN1 ZINC000787213768 585903365 /nfs/dbraw/zinc/90/33/65/585903365.db2.gz CQOGAFKMEHXEMI-UHFFFAOYSA-N 1 2 222.235 0.090 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC(C)(C)C1 ZINC000788435910 585923481 /nfs/dbraw/zinc/92/34/81/585923481.db2.gz ZODOLRAYJIAEOW-UHFFFAOYSA-N 1 2 205.323 0.763 20 0 BCADLO COCCONC(=O)N(C)Cc1[nH+]ccn1C ZINC000789351743 585940996 /nfs/dbraw/zinc/94/09/96/585940996.db2.gz HZTSBBVZFGQFDH-UHFFFAOYSA-N 1 2 242.279 0.140 20 0 BCADLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789605081 585945790 /nfs/dbraw/zinc/94/57/90/585945790.db2.gz DTQGKSUYIAMMBQ-BDAKNGLRSA-N 1 2 243.307 0.579 20 0 BCADLO NC(=[NH+]OCCC1OCCCO1)[C@@H]1CCCO1 ZINC000789605344 585945811 /nfs/dbraw/zinc/94/58/11/585945811.db2.gz FWCXALRRSHVWID-VIFPVBQESA-N 1 2 244.291 0.817 20 0 BCADLO Cc1nccc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789608897 585946344 /nfs/dbraw/zinc/94/63/44/585946344.db2.gz GGYUMTJGXRUYNE-SNVBAGLBSA-N 1 2 236.275 0.962 20 0 BCADLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613761 585946733 /nfs/dbraw/zinc/94/67/33/585946733.db2.gz UPNQZLUGVSNSBA-BDAKNGLRSA-N 1 2 243.307 0.579 20 0 BCADLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789613768 585946741 /nfs/dbraw/zinc/94/67/41/585946741.db2.gz UPNQZLUGVSNSBA-RKDXNWHRSA-N 1 2 243.307 0.579 20 0 BCADLO CCc1nnc([C@H](C)NCc2cn(C)c[nH+]2)[nH]1 ZINC000808401266 585952161 /nfs/dbraw/zinc/95/21/61/585952161.db2.gz DLKLNWALTKKOKG-QMMMGPOBSA-N 1 2 234.307 0.951 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CC1OCCO1 ZINC000789965875 585955017 /nfs/dbraw/zinc/95/50/17/585955017.db2.gz KCQMADJGLTYINU-UHFFFAOYSA-N 1 2 238.243 0.792 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000790348379 585964023 /nfs/dbraw/zinc/96/40/23/585964023.db2.gz VFLRRPAFXLPKTN-PWSUYJOCSA-N 1 2 236.319 0.502 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000790348379 585964024 /nfs/dbraw/zinc/96/40/24/585964024.db2.gz VFLRRPAFXLPKTN-PWSUYJOCSA-N 1 2 236.319 0.502 20 0 BCADLO COC/C=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000791326655 585977298 /nfs/dbraw/zinc/97/72/98/585977298.db2.gz HHQMDJXTXQVZGE-DLRQAJBASA-N 1 2 242.319 0.026 20 0 BCADLO COC/C=C\C(=O)NCc1ccc[nH+]c1N(C)C ZINC000791322876 585977418 /nfs/dbraw/zinc/97/74/18/585977418.db2.gz OPFWGHKUXIEWFJ-ALCCZGGFSA-N 1 2 249.314 0.966 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000791551452 585983904 /nfs/dbraw/zinc/98/39/04/585983904.db2.gz AFNAAIBJALEWLF-ONGXEEELSA-N 1 2 242.319 0.506 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000791551452 585983905 /nfs/dbraw/zinc/98/39/05/585983905.db2.gz AFNAAIBJALEWLF-ONGXEEELSA-N 1 2 242.319 0.506 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](CC1OCCO1)CCO2 ZINC000791587620 585984730 /nfs/dbraw/zinc/98/47/30/585984730.db2.gz ICDMOMLGQDEXCE-JQWIXIFHSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](CC1OCCO1)CCO2 ZINC000791587620 585984731 /nfs/dbraw/zinc/98/47/31/585984731.db2.gz ICDMOMLGQDEXCE-JQWIXIFHSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](CC1OCCO1)CCO2 ZINC000791587621 585984985 /nfs/dbraw/zinc/98/49/85/585984985.db2.gz ICDMOMLGQDEXCE-PWSUYJOCSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](CC1OCCO1)CCO2 ZINC000791587621 585984986 /nfs/dbraw/zinc/98/49/86/585984986.db2.gz ICDMOMLGQDEXCE-PWSUYJOCSA-N 1 2 243.303 0.239 20 0 BCADLO Nc1cc(COC(=O)[C@H]2CCC(=O)O2)cc[nH+]1 ZINC000792038232 585994606 /nfs/dbraw/zinc/99/46/06/585994606.db2.gz BERRULYACFKYLE-MRVPVSSYSA-N 1 2 236.227 0.413 20 0 BCADLO NC(=O)C1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000792183976 585997126 /nfs/dbraw/zinc/99/71/26/585997126.db2.gz JIUKIFMIQAJENT-UHFFFAOYSA-N 1 2 249.270 0.363 20 0 BCADLO Cn1nncc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792292901 585999223 /nfs/dbraw/zinc/99/92/23/585999223.db2.gz BIPKEQWNDGXUDY-UHFFFAOYSA-N 1 2 233.231 0.149 20 0 BCADLO O=C(NOCCO)Nc1ccc2[nH+]ccn2c1 ZINC000792315838 585999691 /nfs/dbraw/zinc/99/96/91/585999691.db2.gz QIALCYLJOUNXRL-UHFFFAOYSA-N 1 2 236.231 0.380 20 0 BCADLO CCON(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000792570726 586002700 /nfs/dbraw/zinc/00/27/00/586002700.db2.gz FDPLSEUVHQOSQZ-SECBINFHSA-N 1 2 226.280 0.865 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NOCC(F)F ZINC000792980184 586007789 /nfs/dbraw/zinc/00/77/89/586007789.db2.gz QCRXHTCZCJBCSR-UHFFFAOYSA-N 1 2 234.206 0.379 20 0 BCADLO Cc1cc(CC(=O)OCCc2c[nH+]cn2C)[nH]n1 ZINC000793236605 586014848 /nfs/dbraw/zinc/01/48/48/586014848.db2.gz AIZVORWMKFPYHL-UHFFFAOYSA-N 1 2 248.286 0.780 20 0 BCADLO Cc1cc(CC(=O)OCCc2c[nH+]cn2C)n[nH]1 ZINC000793236605 586014849 /nfs/dbraw/zinc/01/48/49/586014849.db2.gz AIZVORWMKFPYHL-UHFFFAOYSA-N 1 2 248.286 0.780 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cnsn1 ZINC000793251820 586015014 /nfs/dbraw/zinc/01/50/14/586015014.db2.gz UPQJQJGXGQKZBW-UHFFFAOYSA-N 1 2 238.272 0.671 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)Cn1cccn1 ZINC000793250485 586015104 /nfs/dbraw/zinc/01/51/04/586015104.db2.gz INUZEOQEIILWCM-UHFFFAOYSA-N 1 2 234.259 0.403 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1=COCC1 ZINC000793256836 586015377 /nfs/dbraw/zinc/01/53/77/586015377.db2.gz DAQAEGIJUMRADE-UHFFFAOYSA-N 1 2 222.244 0.810 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](CCO)C1CC1 ZINC000793672253 586024645 /nfs/dbraw/zinc/02/46/45/586024645.db2.gz KKGYBIGGYIRTBZ-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](CCO)C1CC1 ZINC000793672253 586024646 /nfs/dbraw/zinc/02/46/46/586024646.db2.gz KKGYBIGGYIRTBZ-NSHDSACASA-N 1 2 237.303 0.620 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000793659548 586024788 /nfs/dbraw/zinc/02/47/88/586024788.db2.gz BUBQHXPQKCEQEP-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000793659548 586024789 /nfs/dbraw/zinc/02/47/89/586024789.db2.gz BUBQHXPQKCEQEP-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NN1CCCCC1 ZINC000793736424 586025622 /nfs/dbraw/zinc/02/56/22/586025622.db2.gz WMSQLCWFELUGEH-UHFFFAOYSA-N 1 2 236.319 0.870 20 0 BCADLO CSCCONC(=O)CC[NH+]1CCOCC1 ZINC000794189007 586034443 /nfs/dbraw/zinc/03/44/43/586034443.db2.gz ZSMPUQYUCDQNSS-UHFFFAOYSA-N 1 2 248.348 0.120 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CCCNC(=O)C2)cn1 ZINC000794337328 586038121 /nfs/dbraw/zinc/03/81/21/586038121.db2.gz WJMHMRHBDDARKK-JTQLQIEISA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CCCNC(=O)C2)cn1 ZINC000794337328 586038122 /nfs/dbraw/zinc/03/81/22/586038122.db2.gz WJMHMRHBDDARKK-JTQLQIEISA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)ncn1 ZINC000794355897 586038325 /nfs/dbraw/zinc/03/83/25/586038325.db2.gz WNYPRRGGLHUYOL-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)ncn1 ZINC000794355897 586038326 /nfs/dbraw/zinc/03/83/26/586038326.db2.gz WNYPRRGGLHUYOL-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)ncn1 ZINC000794410601 586039119 /nfs/dbraw/zinc/03/91/19/586039119.db2.gz DCVKZAPPSINOCZ-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)ncn1 ZINC000794410601 586039120 /nfs/dbraw/zinc/03/91/20/586039120.db2.gz DCVKZAPPSINOCZ-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO Cc1nnc(C[NH+]2CCC(c3nnc[nH]3)CC2)[nH]1 ZINC000794398781 586039219 /nfs/dbraw/zinc/03/92/19/586039219.db2.gz OQZFDJWFIFAOGL-UHFFFAOYSA-N 1 2 247.306 0.611 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CCO)ncn1 ZINC000794450527 586039907 /nfs/dbraw/zinc/03/99/07/586039907.db2.gz QYMRBLQDWBKKJN-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2CCO)ncn1 ZINC000794450527 586039908 /nfs/dbraw/zinc/03/99/08/586039908.db2.gz QYMRBLQDWBKKJN-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO NC(=[NH+]OC[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000794519514 586041576 /nfs/dbraw/zinc/04/15/76/586041576.db2.gz DTQBJZSWXYBSEG-IUCAKERBSA-N 1 2 214.265 0.843 20 0 BCADLO NC(=[NH+]O[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000794520637 586041606 /nfs/dbraw/zinc/04/16/06/586041606.db2.gz JNFNARGTGUAQBU-SFYZADRCSA-N 1 2 200.238 0.453 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521774 586041773 /nfs/dbraw/zinc/04/17/73/586041773.db2.gz GPEUUBNUOWUCQW-SFYZADRCSA-N 1 2 202.254 0.699 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1OCCCO1)C1CC1 ZINC000794565532 586044105 /nfs/dbraw/zinc/04/41/05/586044105.db2.gz IHPVZLZFCGFJSU-NSHDSACASA-N 1 2 243.303 0.681 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccc(OC)cn2)C1 ZINC000794568485 586044309 /nfs/dbraw/zinc/04/43/09/586044309.db2.gz ZXVBCTNLKCISOI-UHFFFAOYSA-N 1 2 235.287 0.268 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)C[C@@]2(CCOC2)O1 ZINC000794707671 586047089 /nfs/dbraw/zinc/04/70/89/586047089.db2.gz WILSNXJXDBVDGX-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)C[C@@]2(CCOC2)O1 ZINC000794707671 586047090 /nfs/dbraw/zinc/04/70/90/586047090.db2.gz WILSNXJXDBVDGX-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@H]21 ZINC000794953065 586057767 /nfs/dbraw/zinc/05/77/67/586057767.db2.gz OJSLXEPJMBMWLW-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@@H]21 ZINC000794953065 586057768 /nfs/dbraw/zinc/05/77/68/586057768.db2.gz OJSLXEPJMBMWLW-MBTKJCJQSA-N 1 2 237.259 0.229 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794965137 586058729 /nfs/dbraw/zinc/05/87/29/586058729.db2.gz ZTKLUWCCKIWZCS-RGOKHQFPSA-N 1 2 241.287 0.289 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794965137 586058731 /nfs/dbraw/zinc/05/87/31/586058731.db2.gz ZTKLUWCCKIWZCS-RGOKHQFPSA-N 1 2 241.287 0.289 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@@H]21 ZINC000794968056 586059298 /nfs/dbraw/zinc/05/92/98/586059298.db2.gz GUERAIHZRRKDOM-IAZYJMLFSA-N 1 2 247.298 0.636 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@@H]21 ZINC000794968056 586059300 /nfs/dbraw/zinc/05/93/00/586059300.db2.gz GUERAIHZRRKDOM-IAZYJMLFSA-N 1 2 247.298 0.636 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@@H]21 ZINC000794982724 586061107 /nfs/dbraw/zinc/06/11/07/586061107.db2.gz IQSRAJNVNWVPQF-URLYPYJESA-N 1 2 236.271 0.834 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@@H]21 ZINC000794982724 586061109 /nfs/dbraw/zinc/06/11/09/586061109.db2.gz IQSRAJNVNWVPQF-URLYPYJESA-N 1 2 236.271 0.834 20 0 BCADLO CCS(=O)(=O)CCN1CCc2[nH+]c[nH]c2C1 ZINC000859308752 589029631 /nfs/dbraw/zinc/02/96/31/589029631.db2.gz QVJVZCSAWXJLRS-UHFFFAOYSA-N 1 2 243.332 0.203 20 0 BCADLO COCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795654114 586089872 /nfs/dbraw/zinc/08/98/72/586089872.db2.gz SQKJYHPXTKCWRT-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795654114 586089873 /nfs/dbraw/zinc/08/98/73/586089873.db2.gz SQKJYHPXTKCWRT-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO C[C@]1([NH2+]CCOC2CCOCC2)CCOC1=O ZINC000859309285 589030011 /nfs/dbraw/zinc/03/00/11/589030011.db2.gz KEQRYLQXZWXDCR-LBPRGKRZSA-N 1 2 243.303 0.477 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000796124687 586097694 /nfs/dbraw/zinc/09/76/94/586097694.db2.gz BVWMUGUXPKCWMB-ZJUUUORDSA-N 1 2 237.303 0.851 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000796204554 586098616 /nfs/dbraw/zinc/09/86/16/586098616.db2.gz GZQROABUYYGGNS-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@H]1CCCOC1 ZINC000796204554 586098617 /nfs/dbraw/zinc/09/86/17/586098617.db2.gz GZQROABUYYGGNS-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO FCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796340774 586101460 /nfs/dbraw/zinc/10/14/60/586101460.db2.gz MJPXOSVZCDEFJR-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796340774 586101461 /nfs/dbraw/zinc/10/14/61/586101461.db2.gz MJPXOSVZCDEFJR-ZJUUUORDSA-N 1 2 203.257 0.836 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCc1cnccn1 ZINC000796741554 586111303 /nfs/dbraw/zinc/11/13/03/586111303.db2.gz YUEARFIBPGMRPG-UHFFFAOYSA-N 1 2 246.270 0.886 20 0 BCADLO Cn1ccc(CCC(=O)OCc2c[nH+]cn2C)n1 ZINC000796943729 586117650 /nfs/dbraw/zinc/11/76/50/586117650.db2.gz UMXSRRSQMCYOMW-UHFFFAOYSA-N 1 2 248.286 0.830 20 0 BCADLO CC(C)Oc1cc[nH+]cc1COC(=O)CO ZINC000806104412 586124778 /nfs/dbraw/zinc/12/47/78/586124778.db2.gz KWXRMOWDAYXJDY-UHFFFAOYSA-N 1 2 225.244 0.904 20 0 BCADLO C[NH+](C)CC(=O)Oc1ccc2c(c1)CC(=O)N2 ZINC000797770334 586131086 /nfs/dbraw/zinc/13/10/86/586131086.db2.gz WWGWJXCWKMGKHV-UHFFFAOYSA-N 1 2 234.255 0.648 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc[nH]1 ZINC000797858531 586133382 /nfs/dbraw/zinc/13/33/82/586133382.db2.gz SBKDRHYFZMJUSQ-SNVBAGLBSA-N 1 2 238.287 0.892 20 0 BCADLO Cc1cc[nH]c1C(=O)OCC[NH+]1CCOCC1 ZINC000797908703 586134034 /nfs/dbraw/zinc/13/40/34/586134034.db2.gz JEGCPCDSYIUEAB-UHFFFAOYSA-N 1 2 238.287 0.812 20 0 BCADLO CC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000798194171 586139722 /nfs/dbraw/zinc/13/97/22/586139722.db2.gz WCWUVUBVASHWPT-RNCFNFMXSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000798194171 586139723 /nfs/dbraw/zinc/13/97/23/586139723.db2.gz WCWUVUBVASHWPT-RNCFNFMXSA-N 1 2 205.323 0.476 20 0 BCADLO C[N@H+](Cc1cnc(Cl)cn1)[C@@H]1CCNC1=O ZINC000799145729 586161815 /nfs/dbraw/zinc/16/18/15/586161815.db2.gz JSCFDJUESZNJDO-MRVPVSSYSA-N 1 2 240.694 0.450 20 0 BCADLO C[N@@H+](Cc1cnc(Cl)cn1)[C@@H]1CCNC1=O ZINC000799145729 586161816 /nfs/dbraw/zinc/16/18/16/586161816.db2.gz JSCFDJUESZNJDO-MRVPVSSYSA-N 1 2 240.694 0.450 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799146028 586161896 /nfs/dbraw/zinc/16/18/96/586161896.db2.gz VUJDZMLIFLGKHZ-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799146028 586161898 /nfs/dbraw/zinc/16/18/98/586161898.db2.gz VUJDZMLIFLGKHZ-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(OC)OC ZINC000799170154 586164929 /nfs/dbraw/zinc/16/49/29/586164929.db2.gz SXTCZGRTQCDGTL-SECBINFHSA-N 1 2 233.308 0.879 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(OC)OC ZINC000799170154 586164930 /nfs/dbraw/zinc/16/49/30/586164930.db2.gz SXTCZGRTQCDGTL-SECBINFHSA-N 1 2 233.308 0.879 20 0 BCADLO CON1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859326556 589031730 /nfs/dbraw/zinc/03/17/30/589031730.db2.gz RGJROLUANOFYNQ-UHFFFAOYSA-N 1 2 225.267 0.900 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859321580 589032049 /nfs/dbraw/zinc/03/20/49/589032049.db2.gz LPUZIJGWXOJGFN-SNVBAGLBSA-N 1 2 226.251 0.414 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859321580 589032050 /nfs/dbraw/zinc/03/20/50/589032050.db2.gz LPUZIJGWXOJGFN-SNVBAGLBSA-N 1 2 226.251 0.414 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CC)[C@H]1CCNC1=O ZINC000799353386 586173613 /nfs/dbraw/zinc/17/36/13/586173613.db2.gz NDKLOWRFEVDWRV-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CC)[C@H]1CCNC1=O ZINC000799353386 586173615 /nfs/dbraw/zinc/17/36/15/586173615.db2.gz NDKLOWRFEVDWRV-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)OC1CCCC1 ZINC000859336580 589032450 /nfs/dbraw/zinc/03/24/50/589032450.db2.gz QWKJNFKMDOIVOH-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)OC1CCCC1 ZINC000859336580 589032452 /nfs/dbraw/zinc/03/24/52/589032452.db2.gz QWKJNFKMDOIVOH-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO COC1(C)C[NH+](C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799616417 586186105 /nfs/dbraw/zinc/18/61/05/586186105.db2.gz DFLLGIGTXZQMIU-LLVKDONJSA-N 1 2 240.278 0.975 20 0 BCADLO CN1CC[N@H+](Cc2ccnc(F)c2)CCC1=O ZINC000859349489 589033455 /nfs/dbraw/zinc/03/34/55/589033455.db2.gz CXXBRWUYJULDSV-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2ccnc(F)c2)CCC1=O ZINC000859349489 589033457 /nfs/dbraw/zinc/03/34/57/589033457.db2.gz CXXBRWUYJULDSV-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CC(C)COCC[N@H+](C)CCS(C)(=O)=O ZINC000800337394 586212458 /nfs/dbraw/zinc/21/24/58/586212458.db2.gz FYODXFKLEVKPKU-UHFFFAOYSA-N 1 2 237.365 0.635 20 0 BCADLO CC(C)COCC[N@@H+](C)CCS(C)(=O)=O ZINC000800337394 586212459 /nfs/dbraw/zinc/21/24/59/586212459.db2.gz FYODXFKLEVKPKU-UHFFFAOYSA-N 1 2 237.365 0.635 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCF)CC1 ZINC000800459079 586220802 /nfs/dbraw/zinc/22/08/02/586220802.db2.gz FHPMWIMEQJGCHG-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCF)CC1 ZINC000800459079 586220804 /nfs/dbraw/zinc/22/08/04/586220804.db2.gz FHPMWIMEQJGCHG-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CC[C@@H]1CCOC1=O ZINC000800487685 586223019 /nfs/dbraw/zinc/22/30/19/586223019.db2.gz CAMRUCJXMMYACO-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CC[C@@H]1CCOC1=O ZINC000800487685 586223020 /nfs/dbraw/zinc/22/30/20/586223020.db2.gz CAMRUCJXMMYACO-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CC[C@H]1CCOC1=O ZINC000800487694 586223101 /nfs/dbraw/zinc/22/31/01/586223101.db2.gz CAMRUCJXMMYACO-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CC[C@H]1CCOC1=O ZINC000800487694 586223103 /nfs/dbraw/zinc/22/31/03/586223103.db2.gz CAMRUCJXMMYACO-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000808727387 586267396 /nfs/dbraw/zinc/26/73/96/586267396.db2.gz ZONNPEGJKFCJND-SNVBAGLBSA-N 1 2 249.376 0.967 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560061 586262907 /nfs/dbraw/zinc/26/29/07/586262907.db2.gz NRQPOSAQKIZKQQ-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560061 586262909 /nfs/dbraw/zinc/26/29/09/586262909.db2.gz NRQPOSAQKIZKQQ-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCO[C@@H](C(F)F)C2)C1=O ZINC000801565345 586263593 /nfs/dbraw/zinc/26/35/93/586263593.db2.gz BQSMDEJUHYFKGF-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCO[C@@H](C(F)F)C2)C1=O ZINC000801565345 586263594 /nfs/dbraw/zinc/26/35/94/586263594.db2.gz BQSMDEJUHYFKGF-DTWKUNHWSA-N 1 2 248.273 0.573 20 0 BCADLO CCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801564404 586263746 /nfs/dbraw/zinc/26/37/46/586263746.db2.gz MRRLQIQBXHXISV-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO CCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801564404 586263748 /nfs/dbraw/zinc/26/37/48/586263748.db2.gz MRRLQIQBXHXISV-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801563906 586263765 /nfs/dbraw/zinc/26/37/65/586263765.db2.gz VBKMVYGYXHFRQA-SFYZADRCSA-N 1 2 241.303 0.676 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801563906 586263767 /nfs/dbraw/zinc/26/37/67/586263767.db2.gz VBKMVYGYXHFRQA-SFYZADRCSA-N 1 2 241.303 0.676 20 0 BCADLO FC(F)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000801562982 586263868 /nfs/dbraw/zinc/26/38/68/586263868.db2.gz JJWCORPQRVNIKX-MRVPVSSYSA-N 1 2 217.219 0.876 20 0 BCADLO FC(F)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000801562982 586263869 /nfs/dbraw/zinc/26/38/69/586263869.db2.gz JJWCORPQRVNIKX-MRVPVSSYSA-N 1 2 217.219 0.876 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000808727387 586267393 /nfs/dbraw/zinc/26/73/93/586267393.db2.gz ZONNPEGJKFCJND-SNVBAGLBSA-N 1 2 249.376 0.967 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801988402 586285010 /nfs/dbraw/zinc/28/50/10/586285010.db2.gz YONJJPILSMWIPM-NKWVEPMBSA-N 1 2 221.203 0.615 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801988402 586285012 /nfs/dbraw/zinc/28/50/12/586285012.db2.gz YONJJPILSMWIPM-NKWVEPMBSA-N 1 2 221.203 0.615 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802237010 586297685 /nfs/dbraw/zinc/29/76/85/586297685.db2.gz WECXXAQIZLATNQ-OUAUKWLOSA-N 1 2 245.294 0.998 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802237010 586297686 /nfs/dbraw/zinc/29/76/86/586297686.db2.gz WECXXAQIZLATNQ-OUAUKWLOSA-N 1 2 245.294 0.998 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cocn1 ZINC000802232811 586298115 /nfs/dbraw/zinc/29/81/15/586298115.db2.gz FFXJFUNZJFIFQP-QMMMGPOBSA-N 1 2 228.223 0.875 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cocn1 ZINC000802232811 586298118 /nfs/dbraw/zinc/29/81/18/586298118.db2.gz FFXJFUNZJFIFQP-QMMMGPOBSA-N 1 2 228.223 0.875 20 0 BCADLO CCC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)COC1 ZINC000802239641 586298781 /nfs/dbraw/zinc/29/87/81/586298781.db2.gz WSIABJODXSUIMY-JTQLQIEISA-N 1 2 245.294 1.000 20 0 BCADLO CCC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)COC1 ZINC000802239641 586298782 /nfs/dbraw/zinc/29/87/82/586298782.db2.gz WSIABJODXSUIMY-JTQLQIEISA-N 1 2 245.294 1.000 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)C2=COCC2)C1 ZINC000802773458 586313535 /nfs/dbraw/zinc/31/35/35/586313535.db2.gz YYSPJFDMTOWQJE-UHFFFAOYSA-N 1 2 241.287 0.555 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)CC1OCCO1 ZINC000802777788 586314080 /nfs/dbraw/zinc/31/40/80/586314080.db2.gz REVJMCXZWHNUMI-UHFFFAOYSA-N 1 2 240.259 0.269 20 0 BCADLO Cn1cc[nH+]c1CCCOC(=O)c1cnnn1C ZINC000802784602 586314399 /nfs/dbraw/zinc/31/43/99/586314399.db2.gz TYLXNUPSZWETAY-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO C[C@H]1CC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000839986874 586331486 /nfs/dbraw/zinc/33/14/86/586331486.db2.gz XQPNNDPGZIPUGV-QMMMGPOBSA-N 1 2 246.270 0.372 20 0 BCADLO C[C@H]1CC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000839986874 586331489 /nfs/dbraw/zinc/33/14/89/586331489.db2.gz XQPNNDPGZIPUGV-QMMMGPOBSA-N 1 2 246.270 0.372 20 0 BCADLO C[C@H]1CN(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@@H]1C ZINC000840016683 586375967 /nfs/dbraw/zinc/37/59/67/586375967.db2.gz WJDXOMOMUOMQTB-WHOHXGKFSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1CN(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@@H]1C ZINC000840016683 586375970 /nfs/dbraw/zinc/37/59/70/586375970.db2.gz WJDXOMOMUOMQTB-WHOHXGKFSA-N 1 2 238.331 0.922 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H](O)c1cccnc1 ZINC000803954810 586381311 /nfs/dbraw/zinc/38/13/11/586381311.db2.gz YSRKFAFQXHJGJN-LLVKDONJSA-N 1 2 247.254 0.555 20 0 BCADLO C/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336991 586391683 /nfs/dbraw/zinc/39/16/83/586391683.db2.gz SUIZNYIHRPRIHL-HPOULIHZSA-N 1 2 205.261 0.890 20 0 BCADLO CCOCC[N@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840044374 586395590 /nfs/dbraw/zinc/39/55/90/586395590.db2.gz XWPAWQYATLFNBW-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CCOCC[N@@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840044374 586395592 /nfs/dbraw/zinc/39/55/92/586395592.db2.gz XWPAWQYATLFNBW-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO Cn1cc[nH+]c1[C@@H](NCc1cnn(C)n1)C1CC1 ZINC000806165988 586406801 /nfs/dbraw/zinc/40/68/01/586406801.db2.gz NPSLQMJHTXIITB-NSHDSACASA-N 1 2 246.318 0.790 20 0 BCADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000806168682 586406991 /nfs/dbraw/zinc/40/69/91/586406991.db2.gz XBODUEORLJZDPC-BXKDBHETSA-N 1 2 235.335 0.387 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CC[C@@H](C)C1=O ZINC000840082484 586422482 /nfs/dbraw/zinc/42/24/82/586422482.db2.gz CNKZBKWDCVZUBW-NXEZZACHSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CC[C@@H](C)C1=O ZINC000840082484 586422483 /nfs/dbraw/zinc/42/24/83/586422483.db2.gz CNKZBKWDCVZUBW-NXEZZACHSA-N 1 2 212.293 0.533 20 0 BCADLO CCOCCONC(=O)CCc1[nH]cc[nH+]1 ZINC000807268611 586430926 /nfs/dbraw/zinc/43/09/26/586430926.db2.gz QSGQLHQMZYSBQW-UHFFFAOYSA-N 1 2 227.264 0.427 20 0 BCADLO CC[NH2+]Cc1noc(-c2ccc(=O)n(CC)n2)n1 ZINC000843144915 586436793 /nfs/dbraw/zinc/43/67/93/586436793.db2.gz OBMCEWZWVQRGNH-UHFFFAOYSA-N 1 2 249.274 0.423 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000118398808 589169504 /nfs/dbraw/zinc/16/95/04/589169504.db2.gz ZRUXSJDPTVKZIE-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO O=C(O[C@H]1CNOC1)c1ccc2[nH+]ccn2c1 ZINC000808088049 586462980 /nfs/dbraw/zinc/46/29/80/586462980.db2.gz FKCOATHTGYFPIB-VIFPVBQESA-N 1 2 233.227 0.395 20 0 BCADLO CC1(C)[C@@H]2C[N@@H+](Cn3nnn(C4CC4)c3=O)C[C@@H]21 ZINC000808164135 586465291 /nfs/dbraw/zinc/46/52/91/586465291.db2.gz WFEVDENTMRWRLG-AOOOYVTPSA-N 1 2 249.318 0.320 20 0 BCADLO CC1(C)[C@@H]2C[N@H+](Cn3nnn(C4CC4)c3=O)C[C@@H]21 ZINC000808164135 586465292 /nfs/dbraw/zinc/46/52/92/586465292.db2.gz WFEVDENTMRWRLG-AOOOYVTPSA-N 1 2 249.318 0.320 20 0 BCADLO CC[N@H+](Cn1nnn(C2CC2)c1=O)C1CCC1 ZINC000808159594 586465655 /nfs/dbraw/zinc/46/56/55/586465655.db2.gz IZSHVNIBXCHWBL-UHFFFAOYSA-N 1 2 237.307 0.607 20 0 BCADLO CC[N@@H+](Cn1nnn(C2CC2)c1=O)C1CCC1 ZINC000808159594 586465656 /nfs/dbraw/zinc/46/56/56/586465656.db2.gz IZSHVNIBXCHWBL-UHFFFAOYSA-N 1 2 237.307 0.607 20 0 BCADLO C[C@H]1C[N@H+](Cn2nnn(C3CC3)c2=O)C[C@H]1C ZINC000808166087 586466025 /nfs/dbraw/zinc/46/60/25/586466025.db2.gz VNCHGWOVPPBLAN-DTORHVGOSA-N 1 2 237.307 0.320 20 0 BCADLO C[C@H]1C[N@@H+](Cn2nnn(C3CC3)c2=O)C[C@H]1C ZINC000808166087 586466026 /nfs/dbraw/zinc/46/60/26/586466026.db2.gz VNCHGWOVPPBLAN-DTORHVGOSA-N 1 2 237.307 0.320 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=O ZINC000808231011 586468248 /nfs/dbraw/zinc/46/82/48/586468248.db2.gz VUXNZBDLYVSOOG-LLVKDONJSA-N 1 2 236.319 0.661 20 0 BCADLO Cn1cnn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=O ZINC000808231011 586468250 /nfs/dbraw/zinc/46/82/50/586468250.db2.gz VUXNZBDLYVSOOG-LLVKDONJSA-N 1 2 236.319 0.661 20 0 BCADLO COCCOCC[N@H+](C)CN1CCSC1=O ZINC000808237579 586468531 /nfs/dbraw/zinc/46/85/31/586468531.db2.gz XAHJWCCOLYYPFK-UHFFFAOYSA-N 1 2 248.348 0.708 20 0 BCADLO COCCOCC[N@@H+](C)CN1CCSC1=O ZINC000808237579 586468532 /nfs/dbraw/zinc/46/85/32/586468532.db2.gz XAHJWCCOLYYPFK-UHFFFAOYSA-N 1 2 248.348 0.708 20 0 BCADLO Cn1c[nH+]c(CN[C@@H](C(N)=O)c2ccccc2)c1 ZINC000808376848 586470643 /nfs/dbraw/zinc/47/06/43/586470643.db2.gz LYJHBCIQQSRVKZ-GFCCVEGCSA-N 1 2 244.298 0.736 20 0 BCADLO COc1c(C[NH2+]Cc2cn(C)cn2)c(C)nn1C ZINC000808405815 586472012 /nfs/dbraw/zinc/47/20/12/586472012.db2.gz OJWJLZYKEQUEAL-UHFFFAOYSA-N 1 2 249.318 0.760 20 0 BCADLO Cn1c[nH+]c(CNc2ccc(CCO)nc2)c1 ZINC000808432528 586472071 /nfs/dbraw/zinc/47/20/71/586472071.db2.gz PGFLPGFSMWGCJA-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(F)F)CC[N@@H+]1CCO ZINC000808467070 586475067 /nfs/dbraw/zinc/47/50/67/586475067.db2.gz UIDMHHQBXUKEFZ-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(F)F)CC[N@H+]1CCO ZINC000808467070 586475068 /nfs/dbraw/zinc/47/50/68/586475068.db2.gz UIDMHHQBXUKEFZ-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO CC(F)(F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000808470710 586475401 /nfs/dbraw/zinc/47/54/01/586475401.db2.gz GMZNDUAVCOBLCS-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO COCC[NH+]1CCN(CCC(=O)C(C)C)CC1 ZINC000808709805 586482996 /nfs/dbraw/zinc/48/29/96/586482996.db2.gz IBUMAUKLIINWJT-UHFFFAOYSA-N 1 2 242.363 0.866 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCC(=O)C(C)C)CCO1 ZINC000808717650 586483892 /nfs/dbraw/zinc/48/38/92/586483892.db2.gz KJDUFFQBFMUJCO-NSHDSACASA-N 1 2 243.303 0.475 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)C(C)C)CCO1 ZINC000808717650 586483893 /nfs/dbraw/zinc/48/38/93/586483893.db2.gz KJDUFFQBFMUJCO-NSHDSACASA-N 1 2 243.303 0.475 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)s1 ZINC000808751785 586487926 /nfs/dbraw/zinc/48/79/26/586487926.db2.gz KRVFDXBCBPUCRQ-NXEZZACHSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)s1 ZINC000808751785 586487928 /nfs/dbraw/zinc/48/79/28/586487928.db2.gz KRVFDXBCBPUCRQ-NXEZZACHSA-N 1 2 242.344 0.627 20 0 BCADLO COCCN1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000809745482 586516663 /nfs/dbraw/zinc/51/66/63/586516663.db2.gz VKJXAVCCQNBWKW-SNVBAGLBSA-N 1 2 240.307 0.188 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809940591 586525142 /nfs/dbraw/zinc/52/51/42/586525142.db2.gz NHXSKMVZUBMCKW-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809940591 586525143 /nfs/dbraw/zinc/52/51/43/586525143.db2.gz NHXSKMVZUBMCKW-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000809968863 586527743 /nfs/dbraw/zinc/52/77/43/586527743.db2.gz ISPHQVLVVROTRB-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000809968863 586527744 /nfs/dbraw/zinc/52/77/44/586527744.db2.gz ISPHQVLVVROTRB-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1C ZINC000809985866 586528888 /nfs/dbraw/zinc/52/88/88/586528888.db2.gz SZXUUOCDPMPYMX-KOLCDFICSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1C ZINC000809985866 586528889 /nfs/dbraw/zinc/52/88/89/586528889.db2.gz SZXUUOCDPMPYMX-KOLCDFICSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cnn(C)n1 ZINC000809988788 586529280 /nfs/dbraw/zinc/52/92/80/586529280.db2.gz QBUYRFPJBCGIIQ-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cnn(C)n1 ZINC000809988788 586529282 /nfs/dbraw/zinc/52/92/82/586529282.db2.gz QBUYRFPJBCGIIQ-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000809994480 586529577 /nfs/dbraw/zinc/52/95/77/586529577.db2.gz ZJCCIPXMPSMILV-UHFFFAOYSA-N 1 2 235.287 0.816 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1nc(N(C)C)no1 ZINC000809996673 586529773 /nfs/dbraw/zinc/52/97/73/586529773.db2.gz LFSHLSHDOQHGGE-ZCFIWIBFSA-N 1 2 243.267 0.169 20 0 BCADLO COCC[N@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000809997212 586529997 /nfs/dbraw/zinc/52/99/97/586529997.db2.gz XJRAALANPHKHRN-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](Cc1cnn(C)n1)[C@@H]1CCOC1 ZINC000809997212 586529999 /nfs/dbraw/zinc/52/99/99/586529999.db2.gz XJRAALANPHKHRN-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO Cn1ncc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000809998225 586530033 /nfs/dbraw/zinc/53/00/33/586530033.db2.gz NUYAHLXOUDYWTK-UHFFFAOYSA-N 1 2 246.274 0.451 20 0 BCADLO COCC[N@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000809997214 586530047 /nfs/dbraw/zinc/53/00/47/586530047.db2.gz XJRAALANPHKHRN-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](Cc1cnn(C)n1)[C@H]1CCOC1 ZINC000809997214 586530048 /nfs/dbraw/zinc/53/00/48/586530048.db2.gz XJRAALANPHKHRN-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](CCO)C[C@H](C)O ZINC000810039765 586531721 /nfs/dbraw/zinc/53/17/21/586531721.db2.gz HMLLLYYPHFQYGN-UWVGGRQHSA-N 1 2 233.308 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](CCO)C[C@H](C)O ZINC000810039765 586531722 /nfs/dbraw/zinc/53/17/22/586531722.db2.gz HMLLLYYPHFQYGN-UWVGGRQHSA-N 1 2 233.308 0.003 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+](CCO)C[C@@H](C)O ZINC000810040902 586531878 /nfs/dbraw/zinc/53/18/78/586531878.db2.gz DEHVFGJFHSIAKA-GHMZBOCLSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+](CCO)C[C@@H](C)O ZINC000810040902 586531879 /nfs/dbraw/zinc/53/18/79/586531879.db2.gz DEHVFGJFHSIAKA-GHMZBOCLSA-N 1 2 247.335 0.393 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000810756297 586546558 /nfs/dbraw/zinc/54/65/58/586546558.db2.gz BUOWBLQKBVEUSK-MNOVXSKESA-N 1 2 237.303 0.851 20 0 BCADLO Cn1cncc1CNC(=O)CCCn1cc[nH+]c1 ZINC000811588411 586561832 /nfs/dbraw/zinc/56/18/32/586561832.db2.gz KCGOXYONEHYCDS-UHFFFAOYSA-N 1 2 247.302 0.713 20 0 BCADLO Cn1c[nH+]cc1CNC(=S)NC1(C)CC1 ZINC000811701808 586565767 /nfs/dbraw/zinc/56/57/67/586565767.db2.gz RFOSQRKOUMRMCI-UHFFFAOYSA-N 1 2 224.333 0.937 20 0 BCADLO CSCCNC(=S)NCc1c[nH+]cn1C ZINC000811701232 586565914 /nfs/dbraw/zinc/56/59/14/586565914.db2.gz LFEXEFPVSNLIAP-UHFFFAOYSA-N 1 2 244.389 0.747 20 0 BCADLO CC1(C)CC(=O)N(CN2CCn3c[nH+]cc3C2)C1 ZINC000811787785 586566664 /nfs/dbraw/zinc/56/66/64/586566664.db2.gz UKDMNXZVEZVEJW-UHFFFAOYSA-N 1 2 248.330 0.915 20 0 BCADLO CC[C@@H]1CC(=O)N(CN2CCn3c[nH+]cc3C2)C1 ZINC000811787547 586566790 /nfs/dbraw/zinc/56/67/90/586566790.db2.gz NQGPNIARKFZYLF-LLVKDONJSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1cc(CNC(=O)NCc2c[nH+]cn2C)[nH]n1 ZINC000811882491 586568072 /nfs/dbraw/zinc/56/80/72/586568072.db2.gz IHOIBQJTQDXNHT-UHFFFAOYSA-N 1 2 248.290 0.451 20 0 BCADLO Cc1cc(CNC(=O)NCc2c[nH+]cn2C)n[nH]1 ZINC000811882491 586568073 /nfs/dbraw/zinc/56/80/73/586568073.db2.gz IHOIBQJTQDXNHT-UHFFFAOYSA-N 1 2 248.290 0.451 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CN1CCCC1=O ZINC000812298705 586572763 /nfs/dbraw/zinc/57/27/63/586572763.db2.gz ZLYBJXTVBDRGOR-LLVKDONJSA-N 1 2 242.319 0.304 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CN1CCCC1=O ZINC000812298705 586572764 /nfs/dbraw/zinc/57/27/64/586572764.db2.gz ZLYBJXTVBDRGOR-LLVKDONJSA-N 1 2 242.319 0.304 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOC/C=C/Cl ZINC000812403623 586575831 /nfs/dbraw/zinc/57/58/31/586575831.db2.gz ULTJBQOWIVTHCO-HNQUOIGGSA-N 1 2 248.710 0.509 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812876668 586588130 /nfs/dbraw/zinc/58/81/30/586588130.db2.gz OFXCAOHIQYKICK-JTQLQIEISA-N 1 2 243.332 0.175 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812876668 586588131 /nfs/dbraw/zinc/58/81/31/586588131.db2.gz OFXCAOHIQYKICK-JTQLQIEISA-N 1 2 243.332 0.175 20 0 BCADLO CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC000813314289 586600000 /nfs/dbraw/zinc/60/00/00/586600000.db2.gz ADHYQELEWQFAIV-MRVPVSSYSA-N 1 2 246.270 0.328 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2[nH]ncc2C)C1 ZINC000813329190 586600324 /nfs/dbraw/zinc/60/03/24/586600324.db2.gz YBEVZOBOIXQHCK-UHFFFAOYSA-N 1 2 238.291 0.648 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2n[nH]cc2C)C1 ZINC000813329190 586600325 /nfs/dbraw/zinc/60/03/25/586600325.db2.gz YBEVZOBOIXQHCK-UHFFFAOYSA-N 1 2 238.291 0.648 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccccc2CO)n1 ZINC000815119663 586667293 /nfs/dbraw/zinc/66/72/93/586667293.db2.gz CUMPIEWPPRJLGZ-UHFFFAOYSA-N 1 2 232.287 0.597 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000815154113 586670324 /nfs/dbraw/zinc/67/03/24/586670324.db2.gz BJRYYMRWHGSHNV-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO CCn1ncc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000815429131 586684175 /nfs/dbraw/zinc/68/41/75/586684175.db2.gz MGQWTIBILYBPIF-UHFFFAOYSA-N 1 2 249.274 0.742 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000815910701 586697146 /nfs/dbraw/zinc/69/71/46/586697146.db2.gz DWGATTNSLOBKBG-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)[C@@H](C)C[N@H+]1C ZINC000815910701 586697148 /nfs/dbraw/zinc/69/71/48/586697148.db2.gz DWGATTNSLOBKBG-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910699 586697219 /nfs/dbraw/zinc/69/72/19/586697219.db2.gz DWGATTNSLOBKBG-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C=O)c[nH]1 ZINC000815910699 586697222 /nfs/dbraw/zinc/69/72/22/586697222.db2.gz DWGATTNSLOBKBG-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924189 586698195 /nfs/dbraw/zinc/69/81/95/586698195.db2.gz QORMLWYRFGJPNB-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924189 586698196 /nfs/dbraw/zinc/69/81/96/586698196.db2.gz QORMLWYRFGJPNB-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](NC=O)C(C)C ZINC000859799442 589061459 /nfs/dbraw/zinc/06/14/59/589061459.db2.gz OYUDUNSFBLTQMM-JTQLQIEISA-N 1 2 238.291 0.105 20 0 BCADLO CC(C)(O)CONC(=O)CCCn1cc[nH+]c1 ZINC000816383726 586723427 /nfs/dbraw/zinc/72/34/27/586723427.db2.gz YCZFYQXYKBSLSX-UHFFFAOYSA-N 1 2 241.291 0.482 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccco1 ZINC000816807321 586764924 /nfs/dbraw/zinc/76/49/24/586764924.db2.gz DFJHVGJLCSCADF-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO Cc1nnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816840801 586767800 /nfs/dbraw/zinc/76/78/00/586767800.db2.gz DVBMLJLFYVJAJU-UHFFFAOYSA-N 1 2 223.261 0.751 20 0 BCADLO CCn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816861665 586769045 /nfs/dbraw/zinc/76/90/45/586769045.db2.gz FNTQWXZIZBFROK-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccncc1 ZINC000816894954 586769549 /nfs/dbraw/zinc/76/95/49/586769549.db2.gz WZTRGQHCXWIDJP-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCSCCCO ZINC000816947613 586772547 /nfs/dbraw/zinc/77/25/47/586772547.db2.gz WCNBXHGDYQYLOG-UHFFFAOYSA-N 1 2 243.332 0.184 20 0 BCADLO COC(=O)C(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816946812 586772727 /nfs/dbraw/zinc/77/27/27/586772727.db2.gz XDNNOFXBVGUXOJ-UHFFFAOYSA-N 1 2 239.275 0.268 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000816950468 586773272 /nfs/dbraw/zinc/77/32/72/586773272.db2.gz SIBHLBBLPWAJEY-IUCAKERBSA-N 1 2 223.276 0.372 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(C[C@@H]1CCOC1)C1CC1 ZINC000816949966 586773621 /nfs/dbraw/zinc/77/36/21/586773621.db2.gz JLSZFLSKFFVTER-JTQLQIEISA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816954764 586774306 /nfs/dbraw/zinc/77/43/06/586774306.db2.gz KGFJZTVAAKTOPC-ZJUUUORDSA-N 1 2 237.303 0.714 20 0 BCADLO CCCCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000816955868 586774546 /nfs/dbraw/zinc/77/45/46/586774546.db2.gz OGVQEQFLJHMPMS-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO O=C(NN1CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816955378 586774681 /nfs/dbraw/zinc/77/46/81/586774681.db2.gz AUKTXPKXMBEGHS-LLVKDONJSA-N 1 2 248.330 0.963 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1[nH]nnc1C ZINC000817086342 586781430 /nfs/dbraw/zinc/78/14/30/586781430.db2.gz OGIACHWFJGCZSM-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CC[C@H]1C[NH+](CCS(C)(=O)=O)C[C@H](CC)O1 ZINC000817281785 586792139 /nfs/dbraw/zinc/79/21/39/586792139.db2.gz PCOCOSWTHVZNGL-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H](CC)O1 ZINC000817281784 586792392 /nfs/dbraw/zinc/79/23/92/586792392.db2.gz PCOCOSWTHVZNGL-PHIMTYICSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H](CC)O1 ZINC000817281784 586792394 /nfs/dbraw/zinc/79/23/94/586792394.db2.gz PCOCOSWTHVZNGL-PHIMTYICSA-N 1 2 249.376 0.920 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)n1 ZINC000817289339 586793410 /nfs/dbraw/zinc/79/34/10/586793410.db2.gz XHZJWRYHDOKJIB-MWLCHTKSSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@H](O)CC[C@H]2C)n1 ZINC000817289339 586793411 /nfs/dbraw/zinc/79/34/11/586793411.db2.gz XHZJWRYHDOKJIB-MWLCHTKSSA-N 1 2 238.335 0.952 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000817349750 586798526 /nfs/dbraw/zinc/79/85/26/586798526.db2.gz GTSAHQIUNGTWMW-JTQLQIEISA-N 1 2 235.287 0.903 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000818977906 586918969 /nfs/dbraw/zinc/91/89/69/586918969.db2.gz OJGRSBFVQNPOCJ-LLVKDONJSA-N 1 2 249.314 0.993 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000818977906 586918970 /nfs/dbraw/zinc/91/89/70/586918970.db2.gz OJGRSBFVQNPOCJ-LLVKDONJSA-N 1 2 249.314 0.993 20 0 BCADLO COC[C@H]([NH2+]CCS(C)(=O)=O)c1ccco1 ZINC000819127193 586932722 /nfs/dbraw/zinc/93/27/22/586932722.db2.gz RNTCPLCLOUSHPZ-VIFPVBQESA-N 1 2 247.316 0.601 20 0 BCADLO CON(C)C(=O)CC[NH2+]CC(C)(F)F ZINC000819332659 586953466 /nfs/dbraw/zinc/95/34/66/586953466.db2.gz VRTNMRFDLRYGPD-UHFFFAOYSA-N 1 2 210.224 0.641 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819488754 586968730 /nfs/dbraw/zinc/96/87/30/586968730.db2.gz VRQPVVXFMZFDFM-RXNFCKPNSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(/C=C/[C@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000819535308 586974757 /nfs/dbraw/zinc/97/47/57/586974757.db2.gz QHFWQMLRBNWVAK-AAOUONPWSA-N 1 2 247.298 0.961 20 0 BCADLO C[C@@H](O)CN(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820002097 587011928 /nfs/dbraw/zinc/01/19/28/587011928.db2.gz HUZGYXBHLBCHBP-XRVBUDJMSA-N 1 2 223.276 0.273 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000820077514 587018585 /nfs/dbraw/zinc/01/85/85/587018585.db2.gz CGEBSQFSZJJWKB-ONGXEEELSA-N 1 2 246.376 0.877 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000820080078 587018913 /nfs/dbraw/zinc/01/89/13/587018913.db2.gz XDVQKEMMLJXKHK-KOLCDFICSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000820080078 587018915 /nfs/dbraw/zinc/01/89/15/587018915.db2.gz XDVQKEMMLJXKHK-KOLCDFICSA-N 1 2 226.320 0.924 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000820085294 587019611 /nfs/dbraw/zinc/01/96/11/587019611.db2.gz SYDNAVZUKFQBTI-UWVGGRQHSA-N 1 2 214.309 0.924 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000820085294 587019614 /nfs/dbraw/zinc/01/96/14/587019614.db2.gz SYDNAVZUKFQBTI-UWVGGRQHSA-N 1 2 214.309 0.924 20 0 BCADLO O[C@@H]1CC[C@H]2CC[N@H+](Cc3cnsn3)[C@@H]12 ZINC000860132378 589081644 /nfs/dbraw/zinc/08/16/44/589081644.db2.gz ZFFUSVDAAHBCBU-FXBDTBDDSA-N 1 2 225.317 0.883 20 0 BCADLO O[C@@H]1CC[C@H]2CC[N@@H+](Cc3cnsn3)[C@@H]12 ZINC000860132378 589081645 /nfs/dbraw/zinc/08/16/45/589081645.db2.gz ZFFUSVDAAHBCBU-FXBDTBDDSA-N 1 2 225.317 0.883 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820191686 587033457 /nfs/dbraw/zinc/03/34/57/587033457.db2.gz LYBVCHOBFQLHMJ-GMSGAONNSA-N 1 2 211.265 0.748 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000820238014 587037838 /nfs/dbraw/zinc/03/78/38/587037838.db2.gz GWEZKJDJQIITFO-VHSXEESVSA-N 1 2 214.309 0.781 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000820238014 587037839 /nfs/dbraw/zinc/03/78/39/587037839.db2.gz GWEZKJDJQIITFO-VHSXEESVSA-N 1 2 214.309 0.781 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CCCC1)c1nnc[nH]1 ZINC000820447623 587049703 /nfs/dbraw/zinc/04/97/03/587049703.db2.gz ZGHADLMWRBLDQR-QMMMGPOBSA-N 1 2 223.280 0.078 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@@H+]2C)o1 ZINC000820657736 587063411 /nfs/dbraw/zinc/06/34/11/587063411.db2.gz HECLDQFAEAPPCV-SNVBAGLBSA-N 1 2 224.308 0.641 20 0 BCADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@H+]2C)o1 ZINC000820657736 587063412 /nfs/dbraw/zinc/06/34/12/587063412.db2.gz HECLDQFAEAPPCV-SNVBAGLBSA-N 1 2 224.308 0.641 20 0 BCADLO CCN(C(=O)/C=C\c1cn(C)c[nH+]1)[C@@H](C)CO ZINC000820695930 587066788 /nfs/dbraw/zinc/06/67/88/587066788.db2.gz UCKSRTFRHOHGBQ-OMMCCPJFSA-N 1 2 237.303 0.663 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@H](O)CC2)c1 ZINC000820835039 587076198 /nfs/dbraw/zinc/07/61/98/587076198.db2.gz KRZHXSIVDSPBRK-ITKZLYELSA-N 1 2 249.314 0.807 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820948291 587083997 /nfs/dbraw/zinc/08/39/97/587083997.db2.gz RGACEQGIRUMICS-HRDYMLBCSA-N 1 2 221.260 0.479 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820948010 587084287 /nfs/dbraw/zinc/08/42/87/587084287.db2.gz MICNWTPPKGPWBJ-KCJUWKMLSA-N 1 2 223.276 0.605 20 0 BCADLO COC(OC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000820964764 587085177 /nfs/dbraw/zinc/08/51/77/587085177.db2.gz RMUCHTMIPJLOSX-UHFFFAOYSA-N 1 2 249.270 0.569 20 0 BCADLO O=C(C[NH+]1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000821024997 587089591 /nfs/dbraw/zinc/08/95/91/587089591.db2.gz FAWGSDPDFIELAE-NSHDSACASA-N 1 2 248.330 0.999 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CCCN(C=O)CC1 ZINC000821288799 587104153 /nfs/dbraw/zinc/10/41/53/587104153.db2.gz XRWASEYZQYFBFC-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CCCN(C=O)CC1 ZINC000821288799 587104154 /nfs/dbraw/zinc/10/41/54/587104154.db2.gz XRWASEYZQYFBFC-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccon2)CC1 ZINC000821288772 587104998 /nfs/dbraw/zinc/10/49/98/587104998.db2.gz WWOCIQRODCHEDG-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccon2)CC1 ZINC000821288772 587104999 /nfs/dbraw/zinc/10/49/99/587104999.db2.gz WWOCIQRODCHEDG-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCC(=O)O2)C(C)(C)C1=O ZINC000821385379 587114533 /nfs/dbraw/zinc/11/45/33/587114533.db2.gz CAIZINUTRXFOKG-VIFPVBQESA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCC(=O)O2)C(C)(C)C1=O ZINC000821385379 587114535 /nfs/dbraw/zinc/11/45/35/587114535.db2.gz CAIZINUTRXFOKG-VIFPVBQESA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385483 587114846 /nfs/dbraw/zinc/11/48/46/587114846.db2.gz MREDTNRTLWOFPX-KCJUWKMLSA-N 1 2 223.276 0.085 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385485 587114883 /nfs/dbraw/zinc/11/48/83/587114883.db2.gz MREDTNRTLWOFPX-LDYMZIIASA-N 1 2 223.276 0.085 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CCC(C)=O)[nH+]1 ZINC000821395329 587116474 /nfs/dbraw/zinc/11/64/74/587116474.db2.gz ULBSVCSKYSSVMH-UHFFFAOYSA-N 1 2 237.303 0.952 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCO1 ZINC000821822937 587140247 /nfs/dbraw/zinc/14/02/47/587140247.db2.gz BPYUNBPTJQHHBU-HTQZYQBOSA-N 1 2 207.233 0.677 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCO1 ZINC000821822937 587140249 /nfs/dbraw/zinc/14/02/49/587140249.db2.gz BPYUNBPTJQHHBU-HTQZYQBOSA-N 1 2 207.233 0.677 20 0 BCADLO CCC1(CNC(=O)/C=C\c2cn(C)c[nH+]2)COC1 ZINC000821830602 587141531 /nfs/dbraw/zinc/14/15/31/587141531.db2.gz GVGLEEHEKHIACJ-PLNGDYQASA-N 1 2 249.314 0.976 20 0 BCADLO C[NH+]1CCN(C(=O)CSC(F)F)CC1 ZINC000822115255 587153971 /nfs/dbraw/zinc/15/39/71/587153971.db2.gz YIJIAYLWEFCDQF-UHFFFAOYSA-N 1 2 224.276 0.716 20 0 BCADLO CCCCC[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000822499908 587172515 /nfs/dbraw/zinc/17/25/15/587172515.db2.gz AAGJKPMBNJELEF-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000822925378 587193505 /nfs/dbraw/zinc/19/35/05/587193505.db2.gz YUXQAFKKUHZATH-BGASPPILSA-N 1 2 235.287 0.463 20 0 BCADLO CCOC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000823130240 587204224 /nfs/dbraw/zinc/20/42/24/587204224.db2.gz DJRIKBYRPYGOHT-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CCN1CCOC1=O ZINC000823200507 587208324 /nfs/dbraw/zinc/20/83/24/587208324.db2.gz XRGYADXMRMQKLQ-LLVKDONJSA-N 1 2 241.335 0.465 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CCN1CCOC1=O ZINC000823200507 587208325 /nfs/dbraw/zinc/20/83/25/587208325.db2.gz XRGYADXMRMQKLQ-LLVKDONJSA-N 1 2 241.335 0.465 20 0 BCADLO CCn1nc(C)c(C[N@H+](CC)CCCO)n1 ZINC000823464455 587224139 /nfs/dbraw/zinc/22/41/39/587224139.db2.gz CURZGESUPIOHPY-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CC)CCCO)n1 ZINC000823464455 587224140 /nfs/dbraw/zinc/22/41/40/587224140.db2.gz CURZGESUPIOHPY-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000823498083 587227399 /nfs/dbraw/zinc/22/73/99/587227399.db2.gz WTKPGKABIQCYCW-JTQLQIEISA-N 1 2 212.293 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000823498083 587227400 /nfs/dbraw/zinc/22/74/00/587227400.db2.gz WTKPGKABIQCYCW-JTQLQIEISA-N 1 2 212.293 0.269 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823627762 587233118 /nfs/dbraw/zinc/23/31/18/587233118.db2.gz POCHFWYFGCQJAX-FBIMIBRVSA-N 1 2 235.287 0.349 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CO1 ZINC000823696329 587236946 /nfs/dbraw/zinc/23/69/46/587236946.db2.gz CCKHHUGDXDCARB-YUPSMKLTSA-N 1 2 235.287 0.727 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2[nH+]1 ZINC000823794618 587240534 /nfs/dbraw/zinc/24/05/34/587240534.db2.gz SLBVVQPCCZLFDW-GHMZBOCLSA-N 1 2 245.282 0.896 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cccnn1 ZINC000860263952 589091676 /nfs/dbraw/zinc/09/16/76/589091676.db2.gz JTYUDXNQSKUAPY-UHFFFAOYSA-N 1 2 232.243 0.920 20 0 BCADLO CCn1nc(C)c(C[NH2+]CC2(C)OCCO2)n1 ZINC000824032553 587249566 /nfs/dbraw/zinc/24/95/66/587249566.db2.gz SSTSDLAYHFAMBW-UHFFFAOYSA-N 1 2 240.307 0.459 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NOCC1CCC1 ZINC000824042621 587251440 /nfs/dbraw/zinc/25/14/40/587251440.db2.gz CSKIHYKCXCAVSE-UHFFFAOYSA-N 1 2 238.291 0.951 20 0 BCADLO C[C@H](O)CN(C(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000824384379 587268520 /nfs/dbraw/zinc/26/85/20/587268520.db2.gz RUGPBXYDFPVFSM-YVGDHZEHSA-N 1 2 249.314 0.805 20 0 BCADLO CON(C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000824566698 587276549 /nfs/dbraw/zinc/27/65/49/587276549.db2.gz CCRIZQFZYQPZBB-UHFFFAOYSA-N 1 2 240.307 0.342 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CCC[C@H](O)[C@@H]2C)n1 ZINC000824737614 587284895 /nfs/dbraw/zinc/28/48/95/587284895.db2.gz CXXXNEJSGFEIQG-JQWIXIFHSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CCC[C@H](O)[C@@H]2C)n1 ZINC000824737614 587284896 /nfs/dbraw/zinc/28/48/96/587284896.db2.gz CXXXNEJSGFEIQG-JQWIXIFHSA-N 1 2 238.335 0.952 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825532330 587323953 /nfs/dbraw/zinc/32/39/53/587323953.db2.gz VHTVUNKYLAXHSJ-NXEZZACHSA-N 1 2 237.303 0.769 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cnn2c1CCC2 ZINC000825628882 587328232 /nfs/dbraw/zinc/32/82/32/587328232.db2.gz MFKWBIQZXDIIAF-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cnn2c1CCC2 ZINC000825628882 587328234 /nfs/dbraw/zinc/32/82/34/587328234.db2.gz MFKWBIQZXDIIAF-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826050087 587349234 /nfs/dbraw/zinc/34/92/34/587349234.db2.gz RNZRUWFNMYLTST-OPRDCNLKSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826050087 587349235 /nfs/dbraw/zinc/34/92/35/587349235.db2.gz RNZRUWFNMYLTST-OPRDCNLKSA-N 1 2 227.308 0.278 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048377 587349400 /nfs/dbraw/zinc/34/94/00/587349400.db2.gz HSKLRHPMLIIJJO-BDAKNGLRSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048377 587349401 /nfs/dbraw/zinc/34/94/01/587349401.db2.gz HSKLRHPMLIIJJO-BDAKNGLRSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049917 587349575 /nfs/dbraw/zinc/34/95/75/587349575.db2.gz PGRRYBHEVZBSQA-GXSJLCMTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049917 587349576 /nfs/dbraw/zinc/34/95/76/587349576.db2.gz PGRRYBHEVZBSQA-GXSJLCMTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050472 587349640 /nfs/dbraw/zinc/34/96/40/587349640.db2.gz XMUJVPOIBCSBRL-RKDXNWHRSA-N 1 2 215.297 0.136 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050472 587349641 /nfs/dbraw/zinc/34/96/41/587349641.db2.gz XMUJVPOIBCSBRL-RKDXNWHRSA-N 1 2 215.297 0.136 20 0 BCADLO CN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000826089396 587350598 /nfs/dbraw/zinc/35/05/98/587350598.db2.gz GTVKLCSBFSFSQA-UHFFFAOYSA-N 1 2 203.192 0.676 20 0 BCADLO COc1cncc(C[NH+]2CC(C)(CO)C2)c1 ZINC000826113478 587350902 /nfs/dbraw/zinc/35/09/02/587350902.db2.gz MOQVACYYKCWXBH-UHFFFAOYSA-N 1 2 222.288 0.904 20 0 BCADLO CCONC(=O)C[NH2+]C1CC(CF)(CF)C1 ZINC000826143106 587351245 /nfs/dbraw/zinc/35/12/45/587351245.db2.gz SHLGEHXRIROISH-UHFFFAOYSA-N 1 2 236.262 0.732 20 0 BCADLO Cc1cc[nH+]cc1Cn1ccnc1-c1nn[nH]n1 ZINC000826315641 587352135 /nfs/dbraw/zinc/35/21/35/587352135.db2.gz OXDKMGNDSPNWQB-UHFFFAOYSA-N 1 2 241.258 0.815 20 0 BCADLO CCN(OC)C(=O)CNc1cc[nH+]c(C)n1 ZINC000826756278 587361136 /nfs/dbraw/zinc/36/11/36/587361136.db2.gz NDLKUJKGKPFBRX-UHFFFAOYSA-N 1 2 224.264 0.607 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1cc(F)ncc1F ZINC000826773769 587361824 /nfs/dbraw/zinc/36/18/24/587361824.db2.gz JPUZUKQNNTUEHJ-QMMMGPOBSA-N 1 2 227.214 0.338 20 0 BCADLO CCN(CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827150564 587371174 /nfs/dbraw/zinc/37/11/74/587371174.db2.gz IEBBDVHDLOLWQM-NXEZZACHSA-N 1 2 229.324 0.526 20 0 BCADLO CCN(CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(=O)[O-] ZINC000827150564 587371175 /nfs/dbraw/zinc/37/11/75/587371175.db2.gz IEBBDVHDLOLWQM-NXEZZACHSA-N 1 2 229.324 0.526 20 0 BCADLO CC[N@H+](CC[NH2+][C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827150205 587371441 /nfs/dbraw/zinc/37/14/41/587371441.db2.gz BDJYUTHQBPOZOO-SNVBAGLBSA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@@H+](CC[NH2+][C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827150205 587371442 /nfs/dbraw/zinc/37/14/42/587371442.db2.gz BDJYUTHQBPOZOO-SNVBAGLBSA-N 1 2 241.335 0.813 20 0 BCADLO CN(CC1(C)COC1)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827174148 587372076 /nfs/dbraw/zinc/37/20/76/587372076.db2.gz VERPLRZRVNXORU-SNAWJCMRSA-N 1 2 249.314 0.928 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC3(C2)CCCO3)c1 ZINC000827211718 587373183 /nfs/dbraw/zinc/37/31/83/587373183.db2.gz JEEJCMGVDWTAHC-ONEGZZNKSA-N 1 2 247.298 0.825 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@H]2CCC=CO2)nn1 ZINC000827304900 587376266 /nfs/dbraw/zinc/37/62/66/587376266.db2.gz JGPLRPASHJLEBE-LLVKDONJSA-N 1 2 222.292 0.940 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@H]2CCC=CO2)nn1 ZINC000827304900 587376267 /nfs/dbraw/zinc/37/62/67/587376267.db2.gz JGPLRPASHJLEBE-LLVKDONJSA-N 1 2 222.292 0.940 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1[nH]ncc1C ZINC000827340591 587377696 /nfs/dbraw/zinc/37/76/96/587377696.db2.gz LHCHHJMTUQVOOM-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1[nH]ncc1C ZINC000827340591 587377697 /nfs/dbraw/zinc/37/76/97/587377697.db2.gz LHCHHJMTUQVOOM-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1n[nH]cc1C ZINC000827340591 587377698 /nfs/dbraw/zinc/37/76/98/587377698.db2.gz LHCHHJMTUQVOOM-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1n[nH]cc1C ZINC000827340591 587377699 /nfs/dbraw/zinc/37/76/99/587377699.db2.gz LHCHHJMTUQVOOM-UHFFFAOYSA-N 1 2 240.307 0.848 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC000827428692 587380659 /nfs/dbraw/zinc/38/06/59/587380659.db2.gz MFKMCDJTKJVEQG-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC000827428692 587380660 /nfs/dbraw/zinc/38/06/60/587380660.db2.gz MFKMCDJTKJVEQG-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO CCc1cc(CNC(=O)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000827426220 587380941 /nfs/dbraw/zinc/38/09/41/587380941.db2.gz UQHGLKPQLRMQHV-UHFFFAOYSA-N 1 2 233.275 0.554 20 0 BCADLO CCc1cc(CNC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000827426220 587380942 /nfs/dbraw/zinc/38/09/42/587380942.db2.gz UQHGLKPQLRMQHV-UHFFFAOYSA-N 1 2 233.275 0.554 20 0 BCADLO CCOC(=O)C[N@H+](CC[S@](C)=O)CC(C)C ZINC000827511614 587385296 /nfs/dbraw/zinc/38/52/96/587385296.db2.gz VUJZBYCUJKKFIK-INIZCTEOSA-N 1 2 249.376 0.886 20 0 BCADLO CCOC(=O)C[N@@H+](CC[S@](C)=O)CC(C)C ZINC000827511614 587385297 /nfs/dbraw/zinc/38/52/97/587385297.db2.gz VUJZBYCUJKKFIK-INIZCTEOSA-N 1 2 249.376 0.886 20 0 BCADLO CCn1cc(CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000827818514 587404364 /nfs/dbraw/zinc/40/43/64/587404364.db2.gz RXFVLILACUHCLJ-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO O=C(N[C@H]1COC[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC000827874805 587406594 /nfs/dbraw/zinc/40/65/94/587406594.db2.gz AXWUVDUZZITZNJ-WDEREUQCSA-N 1 2 247.254 0.052 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1CO ZINC000827983909 587415182 /nfs/dbraw/zinc/41/51/82/587415182.db2.gz XFTFESWBZSOKGP-AAEUAGOBSA-N 1 2 238.331 0.478 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1CO ZINC000827983909 587415184 /nfs/dbraw/zinc/41/51/84/587415184.db2.gz XFTFESWBZSOKGP-AAEUAGOBSA-N 1 2 238.331 0.478 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[S@@](C)=O ZINC000828127095 587420414 /nfs/dbraw/zinc/42/04/14/587420414.db2.gz BXZBMYKVHFBDMF-GPCCPHFNSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[S@@](C)=O ZINC000828127095 587420416 /nfs/dbraw/zinc/42/04/16/587420416.db2.gz BXZBMYKVHFBDMF-GPCCPHFNSA-N 1 2 218.366 0.389 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828288218 587431930 /nfs/dbraw/zinc/43/19/30/587431930.db2.gz DBEOUIIIGMTXKS-BDJLRTHQSA-N 1 2 249.376 0.491 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828288218 587431931 /nfs/dbraw/zinc/43/19/31/587431931.db2.gz DBEOUIIIGMTXKS-BDJLRTHQSA-N 1 2 249.376 0.491 20 0 BCADLO CCCONC(=O)NCCc1cn(C)c[nH+]1 ZINC000828343704 587437224 /nfs/dbraw/zinc/43/72/24/587437224.db2.gz IXCZZVFNIZHXNF-UHFFFAOYSA-N 1 2 226.280 0.603 20 0 BCADLO COc1ccc(C[N@H+](C)CC[S@@](C)=O)cn1 ZINC000828449608 587442597 /nfs/dbraw/zinc/44/25/97/587442597.db2.gz WOBGCLFPAXLDIZ-MRXNPFEDSA-N 1 2 242.344 0.901 20 0 BCADLO COc1ccc(C[N@@H+](C)CC[S@@](C)=O)cn1 ZINC000828449608 587442599 /nfs/dbraw/zinc/44/25/99/587442599.db2.gz WOBGCLFPAXLDIZ-MRXNPFEDSA-N 1 2 242.344 0.901 20 0 BCADLO C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828470232 587444676 /nfs/dbraw/zinc/44/46/76/587444676.db2.gz BFIYYYIGZAFPPK-JTQLQIEISA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828470232 587444678 /nfs/dbraw/zinc/44/46/78/587444678.db2.gz BFIYYYIGZAFPPK-JTQLQIEISA-N 1 2 227.308 0.423 20 0 BCADLO C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480197 587444939 /nfs/dbraw/zinc/44/49/39/587444939.db2.gz DZGRUEKVMWJAIM-VHSXEESVSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480197 587444940 /nfs/dbraw/zinc/44/49/40/587444940.db2.gz DZGRUEKVMWJAIM-VHSXEESVSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000828482569 587445260 /nfs/dbraw/zinc/44/52/60/587445260.db2.gz ZUCCPMOTMDQFSK-NXEZZACHSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000828482569 587445262 /nfs/dbraw/zinc/44/52/62/587445262.db2.gz ZUCCPMOTMDQFSK-NXEZZACHSA-N 1 2 227.308 0.423 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000828525111 587447445 /nfs/dbraw/zinc/44/74/45/587447445.db2.gz KIDRLUNNUMIVAS-USBNGQNGSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000828525111 587447447 /nfs/dbraw/zinc/44/74/47/587447447.db2.gz KIDRLUNNUMIVAS-USBNGQNGSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000828532523 587447483 /nfs/dbraw/zinc/44/74/83/587447483.db2.gz WZLVMHVCBKOQKJ-VXJOIVPMSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000828532523 587447486 /nfs/dbraw/zinc/44/74/86/587447486.db2.gz WZLVMHVCBKOQKJ-VXJOIVPMSA-N 1 2 241.303 0.721 20 0 BCADLO CC[N@@H+]1CCN(CC[S@](C)=O)[C@@H](C)C1 ZINC000828525522 587447643 /nfs/dbraw/zinc/44/76/43/587447643.db2.gz UDZDLSLNEFZMPX-HZMBPMFUSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@](C)=O)[C@@H](C)C1 ZINC000828525522 587447644 /nfs/dbraw/zinc/44/76/44/587447644.db2.gz UDZDLSLNEFZMPX-HZMBPMFUSA-N 1 2 218.366 0.391 20 0 BCADLO CN1CCN(CC[S@@](C)=O)c2ccc[nH+]c21 ZINC000828529935 587447979 /nfs/dbraw/zinc/44/79/79/587447979.db2.gz ZTXDYLOGTPADOU-MRXNPFEDSA-N 1 2 239.344 0.716 20 0 BCADLO C[N@H+](CC[S@@](C)=O)Cc1ccccn1 ZINC000828587489 587452555 /nfs/dbraw/zinc/45/25/55/587452555.db2.gz KRQWRJLKSSJFCE-CQSZACIVSA-N 1 2 212.318 0.892 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)Cc1ccccn1 ZINC000828587489 587452557 /nfs/dbraw/zinc/45/25/57/587452557.db2.gz KRQWRJLKSSJFCE-CQSZACIVSA-N 1 2 212.318 0.892 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000828597441 587453178 /nfs/dbraw/zinc/45/31/78/587453178.db2.gz YXGNUJQOWZESME-SNVBAGLBSA-N 1 2 226.320 0.812 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000828597441 587453179 /nfs/dbraw/zinc/45/31/79/587453179.db2.gz YXGNUJQOWZESME-SNVBAGLBSA-N 1 2 226.320 0.812 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828736528 587459414 /nfs/dbraw/zinc/45/94/14/587459414.db2.gz HDQJROVTUKVTDW-YGRLFVJLSA-N 1 2 219.350 0.722 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828736528 587459415 /nfs/dbraw/zinc/45/94/15/587459415.db2.gz HDQJROVTUKVTDW-YGRLFVJLSA-N 1 2 219.350 0.722 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828736524 587459578 /nfs/dbraw/zinc/45/95/78/587459578.db2.gz HDQJROVTUKVTDW-IINYFYTJSA-N 1 2 219.350 0.722 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828736524 587459579 /nfs/dbraw/zinc/45/95/79/587459579.db2.gz HDQJROVTUKVTDW-IINYFYTJSA-N 1 2 219.350 0.722 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828805930 587462799 /nfs/dbraw/zinc/46/27/99/587462799.db2.gz IYJDQECBPDCJPR-BXKDBHETSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H]1CO[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828869356 587467627 /nfs/dbraw/zinc/46/76/27/587467627.db2.gz BVTPKLDHGDQBHA-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO COC(=O)C[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829318629 587492556 /nfs/dbraw/zinc/49/25/56/587492556.db2.gz MBGSHMDPHUGROV-CQSZACIVSA-N 1 2 249.310 0.925 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829318629 587492557 /nfs/dbraw/zinc/49/25/57/587492557.db2.gz MBGSHMDPHUGROV-CQSZACIVSA-N 1 2 249.310 0.925 20 0 BCADLO CO[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000829415280 587496489 /nfs/dbraw/zinc/49/64/89/587496489.db2.gz MPYOBUNMFJRXJK-VIFPVBQESA-N 1 2 225.292 0.739 20 0 BCADLO CC[C@@H](C)[N@H+](CC[S@](C)=O)CC(=O)OC ZINC000829444089 587497342 /nfs/dbraw/zinc/49/73/42/587497342.db2.gz UXMFZUKKFIUNAO-PSLIRLAXSA-N 1 2 235.349 0.638 20 0 BCADLO CC[C@@H](C)[N@@H+](CC[S@](C)=O)CC(=O)OC ZINC000829444089 587497343 /nfs/dbraw/zinc/49/73/43/587497343.db2.gz UXMFZUKKFIUNAO-PSLIRLAXSA-N 1 2 235.349 0.638 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3cocn3)cc2C1 ZINC000829445880 587497466 /nfs/dbraw/zinc/49/74/66/587497466.db2.gz HKBRQEDHFGGKAX-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3cocn3)cc2C1 ZINC000829445880 587497468 /nfs/dbraw/zinc/49/74/68/587497468.db2.gz HKBRQEDHFGGKAX-UHFFFAOYSA-N 1 2 247.258 0.569 20 0 BCADLO CO[C@H](C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829451720 587498329 /nfs/dbraw/zinc/49/83/29/587498329.db2.gz PJBPYRMKSIFSLZ-MRVPVSSYSA-N 1 2 238.291 0.302 20 0 BCADLO CO[C@H](C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829451720 587498330 /nfs/dbraw/zinc/49/83/30/587498330.db2.gz PJBPYRMKSIFSLZ-MRVPVSSYSA-N 1 2 238.291 0.302 20 0 BCADLO COCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829451014 587498467 /nfs/dbraw/zinc/49/84/67/587498467.db2.gz AMYVRNWTSYNMRM-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO COCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829451014 587498469 /nfs/dbraw/zinc/49/84/69/587498469.db2.gz AMYVRNWTSYNMRM-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3cc[nH]n3)cc2C1 ZINC000829457777 587498987 /nfs/dbraw/zinc/49/89/87/587498987.db2.gz XDLFJTSQEKMRGL-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3cc[nH]n3)cc2C1 ZINC000829457777 587498988 /nfs/dbraw/zinc/49/89/88/587498988.db2.gz XDLFJTSQEKMRGL-UHFFFAOYSA-N 1 2 246.274 0.304 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C(F)F)cc2C1 ZINC000829471663 587499450 /nfs/dbraw/zinc/49/94/50/587499450.db2.gz FEEATHYTSKDDTF-UHFFFAOYSA-N 1 2 230.218 0.532 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C(F)F)cc2C1 ZINC000829471663 587499452 /nfs/dbraw/zinc/49/94/52/587499452.db2.gz FEEATHYTSKDDTF-UHFFFAOYSA-N 1 2 230.218 0.532 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1O ZINC000830135133 587537765 /nfs/dbraw/zinc/53/77/65/587537765.db2.gz KZQHUWYQIGEQEA-MRVPVSSYSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1O ZINC000830135133 587537768 /nfs/dbraw/zinc/53/77/68/587537768.db2.gz KZQHUWYQIGEQEA-MRVPVSSYSA-N 1 2 238.262 0.965 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2=O)[C@@H]1SC ZINC000830428803 587551473 /nfs/dbraw/zinc/55/14/73/587551473.db2.gz OEMQMQQLMUSMQN-KYXWUPHJSA-N 1 2 245.344 0.801 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](F)C2)CCO1 ZINC000830461594 587551651 /nfs/dbraw/zinc/55/16/51/587551651.db2.gz AZRQBNBIQNCZEM-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](F)C2)CCO1 ZINC000830461594 587551654 /nfs/dbraw/zinc/55/16/54/587551654.db2.gz AZRQBNBIQNCZEM-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@H]1COCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831149116 587587717 /nfs/dbraw/zinc/58/77/17/587587717.db2.gz BARBKLVATBFVHO-SECBINFHSA-N 1 2 223.276 0.447 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC000831305809 587597349 /nfs/dbraw/zinc/59/73/49/587597349.db2.gz ZSQYAHKXUFUFHT-UWVGGRQHSA-N 1 2 239.319 0.628 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000831523143 587616288 /nfs/dbraw/zinc/61/62/88/587616288.db2.gz ACRSQOMACOYTOF-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000831523143 587616290 /nfs/dbraw/zinc/61/62/90/587616290.db2.gz ACRSQOMACOYTOF-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000831582603 587620761 /nfs/dbraw/zinc/62/07/61/587620761.db2.gz ZPTMBHQCAFTMAB-SKDRFNHKSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000831582603 587620762 /nfs/dbraw/zinc/62/07/62/587620762.db2.gz ZPTMBHQCAFTMAB-SKDRFNHKSA-N 1 2 249.314 0.402 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)C1CC1 ZINC000831580457 587620980 /nfs/dbraw/zinc/62/09/80/587620980.db2.gz AVEAQDNBJBUXFM-GMTAPVOTSA-N 1 2 249.314 0.411 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(=O)C1CC1 ZINC000831592909 587621942 /nfs/dbraw/zinc/62/19/42/587621942.db2.gz IZOHZFZMCMUMSZ-UHFFFAOYSA-N 1 2 207.233 0.048 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000831611963 587623497 /nfs/dbraw/zinc/62/34/97/587623497.db2.gz KGPWROASRIWXGB-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000831763406 587630815 /nfs/dbraw/zinc/63/08/15/587630815.db2.gz MNKFZBRDLGJEID-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000831763406 587630816 /nfs/dbraw/zinc/63/08/16/587630816.db2.gz MNKFZBRDLGJEID-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000831763402 587630925 /nfs/dbraw/zinc/63/09/25/587630925.db2.gz MNKFZBRDLGJEID-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000831763402 587630926 /nfs/dbraw/zinc/63/09/26/587630926.db2.gz MNKFZBRDLGJEID-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCO1 ZINC000831961479 587639412 /nfs/dbraw/zinc/63/94/12/587639412.db2.gz VKWRCMKZKKLJEZ-MRVPVSSYSA-N 1 2 221.260 0.679 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCO1 ZINC000831961479 587639413 /nfs/dbraw/zinc/63/94/13/587639413.db2.gz VKWRCMKZKKLJEZ-MRVPVSSYSA-N 1 2 221.260 0.679 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000832171950 587647988 /nfs/dbraw/zinc/64/79/88/587647988.db2.gz WXJFQCKCAWQCLT-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOCC1CCC1 ZINC000832233868 587651583 /nfs/dbraw/zinc/65/15/83/587651583.db2.gz WZDGCCALQXOCIR-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C([O-])NCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000832642407 587672680 /nfs/dbraw/zinc/67/26/80/587672680.db2.gz YIXXHHXZFSQYJG-UHFFFAOYSA-N 1 2 238.291 0.788 20 0 BCADLO CO[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC000832739248 587681551 /nfs/dbraw/zinc/68/15/51/587681551.db2.gz KBSPGHXOMNYUNI-UWVGGRQHSA-N 1 2 237.303 0.836 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)CC(F)(F)C1 ZINC000832826992 587692879 /nfs/dbraw/zinc/69/28/79/587692879.db2.gz HSIUSRISJXURRV-ZETCQYMHSA-N 1 2 245.229 0.181 20 0 BCADLO O=C([O-])N1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000834102312 587745570 /nfs/dbraw/zinc/74/55/70/587745570.db2.gz YKUSCEPXERSMAA-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834190044 587748332 /nfs/dbraw/zinc/74/83/32/587748332.db2.gz QTVXWTPSEPKYMV-VIFPVBQESA-N 1 2 224.264 0.225 20 0 BCADLO O=C([O-])N[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834190044 587748333 /nfs/dbraw/zinc/74/83/33/587748333.db2.gz QTVXWTPSEPKYMV-VIFPVBQESA-N 1 2 224.264 0.225 20 0 BCADLO O=C([O-])N[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834180624 587748438 /nfs/dbraw/zinc/74/84/38/587748438.db2.gz FUXYIIQDZUTPKE-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834180624 587748439 /nfs/dbraw/zinc/74/84/39/587748439.db2.gz FUXYIIQDZUTPKE-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000834189388 587748444 /nfs/dbraw/zinc/74/84/44/587748444.db2.gz KWSAMUKBTBWTRW-UHFFFAOYSA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000834190043 587748491 /nfs/dbraw/zinc/74/84/91/587748491.db2.gz QTVXWTPSEPKYMV-SECBINFHSA-N 1 2 224.264 0.225 20 0 BCADLO O=C([O-])N[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000834190043 587748492 /nfs/dbraw/zinc/74/84/92/587748492.db2.gz QTVXWTPSEPKYMV-SECBINFHSA-N 1 2 224.264 0.225 20 0 BCADLO O=C([O-])NC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000834222015 587749262 /nfs/dbraw/zinc/74/92/62/587749262.db2.gz WHPJYEKCVXVYOH-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])NC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000834222015 587749263 /nfs/dbraw/zinc/74/92/63/587749263.db2.gz WHPJYEKCVXVYOH-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO CC(C)[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000834334727 587752336 /nfs/dbraw/zinc/75/23/36/587752336.db2.gz KFCXQBLOOBBAIZ-NSHDSACASA-N 1 2 239.319 0.864 20 0 BCADLO CCOC1C[NH+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000834379118 587753429 /nfs/dbraw/zinc/75/34/29/587753429.db2.gz VMOUGJWGOCJENI-LBPRGKRZSA-N 1 2 240.278 0.975 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(OC)OC ZINC000834423586 587754986 /nfs/dbraw/zinc/75/49/86/587754986.db2.gz DUBRFZZRYHWTAX-MRVPVSSYSA-N 1 2 241.291 0.466 20 0 BCADLO CC(C)C1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834462616 587755672 /nfs/dbraw/zinc/75/56/72/587755672.db2.gz TZQITYXZYCGRQY-UHFFFAOYSA-N 1 2 223.276 0.182 20 0 BCADLO CC(C)(O)CONC(=O)CCc1c[nH+]c[nH]1 ZINC000834621397 587761284 /nfs/dbraw/zinc/76/12/84/587761284.db2.gz DFBPELLOALXWLL-UHFFFAOYSA-N 1 2 227.264 0.161 20 0 BCADLO CC(C)(O)CONC(=O)CCc1c[nH]c[nH+]1 ZINC000834621397 587761285 /nfs/dbraw/zinc/76/12/85/587761285.db2.gz DFBPELLOALXWLL-UHFFFAOYSA-N 1 2 227.264 0.161 20 0 BCADLO CSC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834697599 587764026 /nfs/dbraw/zinc/76/40/26/587764026.db2.gz LPODNLUURRPJBX-UHFFFAOYSA-N 1 2 225.317 0.964 20 0 BCADLO CC(C)ONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000836352695 587831281 /nfs/dbraw/zinc/83/12/81/587831281.db2.gz ZRADZASCYYHOGH-SNVBAGLBSA-N 1 2 245.323 0.346 20 0 BCADLO CC(C)ONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000836352695 587831282 /nfs/dbraw/zinc/83/12/82/587831282.db2.gz ZRADZASCYYHOGH-SNVBAGLBSA-N 1 2 245.323 0.346 20 0 BCADLO C/C=C\C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864035 587840467 /nfs/dbraw/zinc/84/04/67/587840467.db2.gz IDFSMVOFJMPYHI-TZDVWIQBSA-N 1 2 224.304 0.542 20 0 BCADLO C/C=C\C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864035 587840468 /nfs/dbraw/zinc/84/04/68/587840468.db2.gz IDFSMVOFJMPYHI-TZDVWIQBSA-N 1 2 224.304 0.542 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000837979414 587907210 /nfs/dbraw/zinc/90/72/10/587907210.db2.gz IGDZVMWQEHSOIE-IUCAKERBSA-N 1 2 249.257 0.906 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CC2(F)F)CCO1 ZINC000837979414 587907211 /nfs/dbraw/zinc/90/72/11/587907211.db2.gz IGDZVMWQEHSOIE-IUCAKERBSA-N 1 2 249.257 0.906 20 0 BCADLO CCNC(=S)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840802932 587922271 /nfs/dbraw/zinc/92/22/71/587922271.db2.gz LTSGDTGXUJTCAT-AOOOYVTPSA-N 1 2 243.376 0.334 20 0 BCADLO CCNC(=S)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840802932 587922272 /nfs/dbraw/zinc/92/22/72/587922272.db2.gz LTSGDTGXUJTCAT-AOOOYVTPSA-N 1 2 243.376 0.334 20 0 BCADLO COC[C@H](C)OC(=O)N1CCn2c[nH+]cc2C1 ZINC000867283633 587992345 /nfs/dbraw/zinc/99/23/45/587992345.db2.gz ZRTYDVOUHDIQRX-VIFPVBQESA-N 1 2 239.275 0.870 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)CC2(CCC2)O1 ZINC000842641398 588048276 /nfs/dbraw/zinc/04/82/76/588048276.db2.gz UOPHYKKVUDQHLE-SNVBAGLBSA-N 1 2 222.292 0.879 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)CC2(CCC2)O1 ZINC000842641398 588048278 /nfs/dbraw/zinc/04/82/78/588048278.db2.gz UOPHYKKVUDQHLE-SNVBAGLBSA-N 1 2 222.292 0.879 20 0 BCADLO NC(COC[C@H]1CCOC1)=[NH+]OCC1CC1 ZINC000842657013 588050195 /nfs/dbraw/zinc/05/01/95/588050195.db2.gz ISTVYOAHYMWWPF-JTQLQIEISA-N 1 2 228.292 0.948 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658034 588050209 /nfs/dbraw/zinc/05/02/09/588050209.db2.gz WCZPCEYWXPRBIL-VHSXEESVSA-N 1 2 246.307 0.451 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCC(=O)C1 ZINC000842781605 588063214 /nfs/dbraw/zinc/06/32/14/588063214.db2.gz ZCMUWUHWTRRWLQ-MWLCHTKSSA-N 1 2 243.278 0.943 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCC(=O)C1 ZINC000842781605 588063215 /nfs/dbraw/zinc/06/32/15/588063215.db2.gz ZCMUWUHWTRRWLQ-MWLCHTKSSA-N 1 2 243.278 0.943 20 0 BCADLO CCCNC(=O)CCc1nc(C[NH2+]CC)no1 ZINC000843144832 588086482 /nfs/dbraw/zinc/08/64/82/588086482.db2.gz LGEVYAJILOCHGM-UHFFFAOYSA-N 1 2 240.307 0.638 20 0 BCADLO CCc1cc(NC(=O)[C@H]2CSC[NH2+]2)nn1C ZINC000843502280 588116944 /nfs/dbraw/zinc/11/69/44/588116944.db2.gz YTHNPLMORXKSIX-MRVPVSSYSA-N 1 2 240.332 0.584 20 0 BCADLO COC/C=C/C(=O)NCCc1c[nH+]cn1C ZINC000867332225 588134642 /nfs/dbraw/zinc/13/46/42/588134642.db2.gz OGXHQTGZUYWANR-ONEGZZNKSA-N 1 2 223.276 0.281 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782624 588139789 /nfs/dbraw/zinc/13/97/89/588139789.db2.gz PARKXIFGYZJTTG-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782624 588139790 /nfs/dbraw/zinc/13/97/90/588139790.db2.gz PARKXIFGYZJTTG-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@H]([C@H](C)NC(=O)C1(F)CC1)[NH+]1CCOCC1 ZINC000843791166 588140648 /nfs/dbraw/zinc/14/06/48/588140648.db2.gz OSKUDPBXQZYDPR-VHSXEESVSA-N 1 2 244.310 0.714 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(F)CC1 ZINC000843833201 588143998 /nfs/dbraw/zinc/14/39/98/588143998.db2.gz IXGVGJQQZDQHPU-ZETCQYMHSA-N 1 2 223.251 0.885 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(F)CC1 ZINC000843833201 588143999 /nfs/dbraw/zinc/14/39/99/588143999.db2.gz IXGVGJQQZDQHPU-ZETCQYMHSA-N 1 2 223.251 0.885 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@H]2CCC=CO2)c[nH+]1 ZINC000843883375 588147245 /nfs/dbraw/zinc/14/72/45/588147245.db2.gz GBESBORFJAEQMY-JTQLQIEISA-N 1 2 248.286 0.676 20 0 BCADLO CC[C@H]1C[N@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000844390136 588188631 /nfs/dbraw/zinc/18/86/31/588188631.db2.gz DECBDUKPPASRJM-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@H]1C[N@@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000844390136 588188633 /nfs/dbraw/zinc/18/86/33/588188633.db2.gz DECBDUKPPASRJM-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC000844431880 588192271 /nfs/dbraw/zinc/19/22/71/588192271.db2.gz YDSSXTFIZUTXRB-IGCCEXKWSA-N 1 2 205.710 0.944 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC000844431880 588192272 /nfs/dbraw/zinc/19/22/72/588192272.db2.gz YDSSXTFIZUTXRB-IGCCEXKWSA-N 1 2 205.710 0.944 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431806 588192575 /nfs/dbraw/zinc/19/25/75/588192575.db2.gz WLIVBOFGNGZCIA-CRJGIDHWSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431806 588192576 /nfs/dbraw/zinc/19/25/76/588192576.db2.gz WLIVBOFGNGZCIA-CRJGIDHWSA-N 1 2 243.328 0.311 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451265 588195517 /nfs/dbraw/zinc/19/55/17/588195517.db2.gz NUPQFTKTYMOEEH-OCAPTIKFSA-N 1 2 239.287 0.618 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451265 588195518 /nfs/dbraw/zinc/19/55/18/588195518.db2.gz NUPQFTKTYMOEEH-OCAPTIKFSA-N 1 2 239.287 0.618 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000844553530 588201964 /nfs/dbraw/zinc/20/19/64/588201964.db2.gz UQFAGUNMPIEGOI-RXMQYKEDSA-N 1 2 201.176 0.709 20 0 BCADLO Cc1nn(C[NH+]2C3CCC2CC3)c(=O)n1C ZINC000844683074 588213484 /nfs/dbraw/zinc/21/34/84/588213484.db2.gz PZEIJEGBHFGIJK-UHFFFAOYSA-N 1 2 222.292 0.475 20 0 BCADLO CCCC[N@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844685098 588213696 /nfs/dbraw/zinc/21/36/96/588213696.db2.gz VCULNEKEEIGLMZ-UHFFFAOYSA-N 1 2 226.324 0.970 20 0 BCADLO CCCC[N@@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844685098 588213698 /nfs/dbraw/zinc/21/36/98/588213698.db2.gz VCULNEKEEIGLMZ-UHFFFAOYSA-N 1 2 226.324 0.970 20 0 BCADLO Cc1nn(C[N@H+](C)C2CCC2)c(=O)n1C ZINC000844697490 588214131 /nfs/dbraw/zinc/21/41/31/588214131.db2.gz HAKALTIISAFHDT-UHFFFAOYSA-N 1 2 210.281 0.332 20 0 BCADLO Cc1nn(C[N@@H+](C)C2CCC2)c(=O)n1C ZINC000844697490 588214132 /nfs/dbraw/zinc/21/41/32/588214132.db2.gz HAKALTIISAFHDT-UHFFFAOYSA-N 1 2 210.281 0.332 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C(C)C)C2)c(=O)n1C ZINC000844696595 588214305 /nfs/dbraw/zinc/21/43/05/588214305.db2.gz JKPFJMVIYQEWIZ-LLVKDONJSA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c(=O)n1C ZINC000844696595 588214307 /nfs/dbraw/zinc/21/43/07/588214307.db2.gz JKPFJMVIYQEWIZ-LLVKDONJSA-N 1 2 238.335 0.826 20 0 BCADLO COCc1cc[nH+]c(NCc2cnn(C)n2)c1 ZINC000844707061 588214724 /nfs/dbraw/zinc/21/47/24/588214724.db2.gz BTLUAFNIVBWNNV-UHFFFAOYSA-N 1 2 233.275 0.969 20 0 BCADLO CC[C@@H]1C[N@H+](Cn2cnnc2)[C@H](C)CO1 ZINC000844729753 588215084 /nfs/dbraw/zinc/21/50/84/588215084.db2.gz KXUCELOKUIMWOI-NXEZZACHSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@@H+](Cn2cnnc2)[C@H](C)CO1 ZINC000844729753 588215085 /nfs/dbraw/zinc/21/50/85/588215085.db2.gz KXUCELOKUIMWOI-NXEZZACHSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@@H](CC(=O)O[C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC000845276720 588225090 /nfs/dbraw/zinc/22/50/90/588225090.db2.gz KWUJDTHYHADNJP-YUMQZZPRSA-N 1 2 225.248 0.251 20 0 BCADLO CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000845281253 588225516 /nfs/dbraw/zinc/22/55/16/588225516.db2.gz JLTVOSNBZBNMHR-BDAKNGLRSA-N 1 2 239.275 0.641 20 0 BCADLO C[C@@H](CC(=O)OCCOCCO)n1cc[nH+]c1 ZINC000845282262 588225598 /nfs/dbraw/zinc/22/55/98/588225598.db2.gz MYDUTINDEWDWAT-JTQLQIEISA-N 1 2 242.275 0.386 20 0 BCADLO O=C(C[C@H]1CCCO1)OCC[NH+]1CCOCC1 ZINC000845353909 588227772 /nfs/dbraw/zinc/22/77/72/588227772.db2.gz KBOHYJLOMQDOCH-LLVKDONJSA-N 1 2 243.303 0.431 20 0 BCADLO C[C@H](CC(=O)OCCC(N)=O)n1cc[nH+]c1 ZINC000845499304 588231021 /nfs/dbraw/zinc/23/10/21/588231021.db2.gz SLJCGLYANFBQIZ-MRVPVSSYSA-N 1 2 225.248 0.253 20 0 BCADLO Cc1nonc1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000845521789 588231965 /nfs/dbraw/zinc/23/19/65/588231965.db2.gz LOMBFNXIFIPVJN-UHFFFAOYSA-N 1 2 247.258 0.201 20 0 BCADLO COC/C(C)=C\C(=O)NCc1c[nH+]c[nH]1 ZINC000845581214 588233859 /nfs/dbraw/zinc/23/38/59/588233859.db2.gz UVFLKVDTTDXLPB-BAQGIRSFSA-N 1 2 209.249 0.619 20 0 BCADLO COCC(C)=CC(=O)NCc1c[nH]c[nH+]1 ZINC000845581214 588233860 /nfs/dbraw/zinc/23/38/60/588233860.db2.gz UVFLKVDTTDXLPB-BAQGIRSFSA-N 1 2 209.249 0.619 20 0 BCADLO CCON(C)C(=O)CNc1cc[nH+]c(C)n1 ZINC000845715270 588242568 /nfs/dbraw/zinc/24/25/68/588242568.db2.gz HMZZRECILNUKHJ-UHFFFAOYSA-N 1 2 224.264 0.607 20 0 BCADLO CCOCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845958384 588251798 /nfs/dbraw/zinc/25/17/98/588251798.db2.gz MOQNIVFIPRDMNL-SNVBAGLBSA-N 1 2 241.291 0.919 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cscn1 ZINC000846062793 588254902 /nfs/dbraw/zinc/25/49/02/588254902.db2.gz MYVRDHVUAXFLSX-UHFFFAOYSA-N 1 2 229.305 0.643 20 0 BCADLO CCO[N-]C(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000846083638 588255728 /nfs/dbraw/zinc/25/57/28/588255728.db2.gz UGQCLNXNONDWQK-UHFFFAOYSA-N 1 2 240.307 0.621 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000846084523 588255731 /nfs/dbraw/zinc/25/57/31/588255731.db2.gz FEASODXFZDJCBJ-ZJUUUORDSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000846087821 588255769 /nfs/dbraw/zinc/25/57/69/588255769.db2.gz UGQWPGOBBABKII-BDAKNGLRSA-N 1 2 216.281 0.211 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000846086287 588255786 /nfs/dbraw/zinc/25/57/86/588255786.db2.gz NMJXPVFVBPYCGO-QWRGUYRKSA-N 1 2 244.335 0.847 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000846087823 588255823 /nfs/dbraw/zinc/25/58/23/588255823.db2.gz UGQWPGOBBABKII-DTWKUNHWSA-N 1 2 216.281 0.211 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000846090784 588256276 /nfs/dbraw/zinc/25/62/76/588256276.db2.gz DRQORVLUQRTGDZ-NXEZZACHSA-N 1 2 230.308 0.459 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000846115148 588257531 /nfs/dbraw/zinc/25/75/31/588257531.db2.gz GKCINEYDZUGNJA-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000846115148 588257532 /nfs/dbraw/zinc/25/75/32/588257532.db2.gz GKCINEYDZUGNJA-SNVBAGLBSA-N 1 2 210.281 0.255 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000846127170 588258016 /nfs/dbraw/zinc/25/80/16/588258016.db2.gz UCFXFYMLBXKUEI-IGLBNKAOSA-N 1 2 249.314 0.907 20 0 BCADLO COC/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247245 588262388 /nfs/dbraw/zinc/26/23/88/588262388.db2.gz QIADRAOLROKOLW-PLNGDYQASA-N 1 2 223.276 0.964 20 0 BCADLO CCN1C[C@@H](C[N@H+](C)Cc2ccon2)OC1=O ZINC000846805836 588289509 /nfs/dbraw/zinc/28/95/09/588289509.db2.gz GSETXWCCNZGMTC-SNVBAGLBSA-N 1 2 239.275 0.947 20 0 BCADLO CCN1C[C@@H](C[N@@H+](C)Cc2ccon2)OC1=O ZINC000846805836 588289510 /nfs/dbraw/zinc/28/95/10/588289510.db2.gz GSETXWCCNZGMTC-SNVBAGLBSA-N 1 2 239.275 0.947 20 0 BCADLO CCN1C[C@@H](C[N@H+](C)Cc2cc[nH]n2)OC1=O ZINC000846805026 588289548 /nfs/dbraw/zinc/28/95/48/588289548.db2.gz SFJRZXFZIHWYPI-SNVBAGLBSA-N 1 2 238.291 0.682 20 0 BCADLO CCN1C[C@@H](C[N@@H+](C)Cc2cc[nH]n2)OC1=O ZINC000846805026 588289549 /nfs/dbraw/zinc/28/95/49/588289549.db2.gz SFJRZXFZIHWYPI-SNVBAGLBSA-N 1 2 238.291 0.682 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1C[C@@H]1CN(CC)C(=O)O1 ZINC000846808293 588289818 /nfs/dbraw/zinc/28/98/18/588289818.db2.gz KKFFMXYTSXBMLO-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@@H]1COCC[N@H+]1C[C@@H]1CN(CC)C(=O)O1 ZINC000846808293 588289819 /nfs/dbraw/zinc/28/98/19/588289819.db2.gz KKFFMXYTSXBMLO-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@H](C)[C@H]2C)OC1=O ZINC000846817023 588290660 /nfs/dbraw/zinc/29/06/60/588290660.db2.gz KGNWTPSKCQZNAR-GMTAPVOTSA-N 1 2 242.319 0.936 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@H](C)[C@H]2C)OC1=O ZINC000846817023 588290661 /nfs/dbraw/zinc/29/06/61/588290661.db2.gz KGNWTPSKCQZNAR-GMTAPVOTSA-N 1 2 242.319 0.936 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnsn2)[C@@H]1C ZINC000846868443 588294482 /nfs/dbraw/zinc/29/44/82/588294482.db2.gz NINYRBINRHMGGP-VXNVDRBHSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnsn2)[C@@H]1C ZINC000846868443 588294483 /nfs/dbraw/zinc/29/44/83/588294483.db2.gz NINYRBINRHMGGP-VXNVDRBHSA-N 1 2 241.316 0.922 20 0 BCADLO COC[C@H]([NH2+]Cc1cnsn1)[C@@H]1CCCO1 ZINC000846880060 588295229 /nfs/dbraw/zinc/29/52/29/588295229.db2.gz QHGUKBSARGEIIK-UWVGGRQHSA-N 1 2 243.332 0.822 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnsn1 ZINC000846891317 588295477 /nfs/dbraw/zinc/29/54/77/588295477.db2.gz WZVYYIAPKWITRU-XPUUQOCRSA-N 1 2 226.305 0.152 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCOC[C@@H]2C)OC1=O ZINC000846928569 588297144 /nfs/dbraw/zinc/29/71/44/588297144.db2.gz CYBCCYHEGSEWOX-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCOC[C@@H]2C)OC1=O ZINC000846928569 588297145 /nfs/dbraw/zinc/29/71/45/588297145.db2.gz CYBCCYHEGSEWOX-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CON1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000846971748 588298969 /nfs/dbraw/zinc/29/89/69/588298969.db2.gz OAFPLAWZDAFZKT-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CCC[C@@H](C(=O)OCC)[NH+]1CCN(OC)CC1 ZINC000846975642 588299559 /nfs/dbraw/zinc/29/95/59/588299559.db2.gz IHYHLZGVUIFLDB-NSHDSACASA-N 1 2 244.335 0.897 20 0 BCADLO CCn1nnc(C)c1C[NH+]1CCN(OC)CC1 ZINC000846978255 588299916 /nfs/dbraw/zinc/29/99/16/588299916.db2.gz XDXFINPAEHRTDF-UHFFFAOYSA-N 1 2 239.323 0.285 20 0 BCADLO CON1CCC([N@H+](C)Cc2cnsn2)CC1 ZINC000846982464 588300463 /nfs/dbraw/zinc/30/04/63/588300463.db2.gz PYWHQLLLMWSCFI-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO CON1CCC([N@@H+](C)Cc2cnsn2)CC1 ZINC000846982464 588300464 /nfs/dbraw/zinc/30/04/64/588300464.db2.gz PYWHQLLLMWSCFI-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO NC(=O)[C@]1([NH2+]C/C(Cl)=C\Cl)CCOC1 ZINC000847051814 588304884 /nfs/dbraw/zinc/30/48/84/588304884.db2.gz ACBHDRKXWSZJME-HFSLJOEWSA-N 1 2 239.102 0.539 20 0 BCADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H](O)COC ZINC000847059501 588305509 /nfs/dbraw/zinc/30/55/09/588305509.db2.gz YKELUSLPGQYXRJ-JTQLQIEISA-N 1 2 247.335 0.705 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000106936817 588316786 /nfs/dbraw/zinc/31/67/86/588316786.db2.gz NBBOADKJJLLMCV-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000106936817 588316788 /nfs/dbraw/zinc/31/67/88/588316788.db2.gz NBBOADKJJLLMCV-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000848032979 588348999 /nfs/dbraw/zinc/34/89/99/588348999.db2.gz HPBJWUMUNMHEIX-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000848032979 588349000 /nfs/dbraw/zinc/34/90/00/588349000.db2.gz HPBJWUMUNMHEIX-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO O=C(O[C@H]1CNOC1)c1cccc2[nH+]ccn21 ZINC000848059803 588352041 /nfs/dbraw/zinc/35/20/41/588352041.db2.gz JCRKAXFEZJDNQD-QMMMGPOBSA-N 1 2 233.227 0.395 20 0 BCADLO CCn1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000848386941 588375709 /nfs/dbraw/zinc/37/57/09/588375709.db2.gz BMCZCPMJSDUBLB-SSDOTTSWSA-N 1 2 234.263 0.512 20 0 BCADLO COc1c(C)[nH+]cnc1NCCS(C)(=O)=O ZINC000848653571 588403891 /nfs/dbraw/zinc/40/38/91/588403891.db2.gz PACUIAZGIISDEW-UHFFFAOYSA-N 1 2 245.304 0.250 20 0 BCADLO c1nnn2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000848921462 588421100 /nfs/dbraw/zinc/42/11/00/588421100.db2.gz BLCHQSVBDJNVCD-LLVKDONJSA-N 1 2 220.276 0.786 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000848921462 588421101 /nfs/dbraw/zinc/42/11/01/588421101.db2.gz BLCHQSVBDJNVCD-LLVKDONJSA-N 1 2 220.276 0.786 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1-c1ccccc1 ZINC000849134783 588453434 /nfs/dbraw/zinc/45/34/34/588453434.db2.gz OXJZUOQCRZGUQS-LBPRGKRZSA-N 1 2 230.271 0.928 20 0 BCADLO CC[C@@H](O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849151324 588456380 /nfs/dbraw/zinc/45/63/80/588456380.db2.gz UUNUSFBFGUNLME-LLVKDONJSA-N 1 2 234.259 0.598 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1CCC1 ZINC000849168588 588458866 /nfs/dbraw/zinc/45/88/66/588458866.db2.gz VCFNFFXHHUMSHY-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1CCOCC1 ZINC000849168380 588459015 /nfs/dbraw/zinc/45/90/15/588459015.db2.gz OUHITTYDJXECQH-UHFFFAOYSA-N 1 2 243.303 0.288 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000849225966 588463125 /nfs/dbraw/zinc/46/31/25/588463125.db2.gz IZAFTKKMQSZURZ-JTQLQIEISA-N 1 2 220.276 0.901 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1C=CCC1 ZINC000849225763 588463221 /nfs/dbraw/zinc/46/32/21/588463221.db2.gz BTJINXPFXBYKOA-LLVKDONJSA-N 1 2 239.319 0.336 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCOC1=O)C1CCOCC1 ZINC000849321538 588471913 /nfs/dbraw/zinc/47/19/13/588471913.db2.gz HOBUXLJGUYUYMT-MNOVXSKESA-N 1 2 243.303 0.333 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000849321675 588471937 /nfs/dbraw/zinc/47/19/37/588471937.db2.gz JURZFTMPKRGMOL-AXFHLTTASA-N 1 2 245.319 0.579 20 0 BCADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)c2ncnn21 ZINC000849322371 588472246 /nfs/dbraw/zinc/47/22/46/588472246.db2.gz RHXWDAANGDMNBJ-BBBLOLIVSA-N 1 2 249.318 0.494 20 0 BCADLO COC[C@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000850203400 588528289 /nfs/dbraw/zinc/52/82/89/588528289.db2.gz PZDUCRHJYPTXIS-JTQLQIEISA-N 1 2 242.275 0.167 20 0 BCADLO CON(C)CC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000850478987 588547866 /nfs/dbraw/zinc/54/78/66/588547866.db2.gz JIYCNHRBLIXTDM-QMMMGPOBSA-N 1 2 212.297 0.862 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000850469935 588549309 /nfs/dbraw/zinc/54/93/09/588549309.db2.gz WAMAMQNJMSWSMN-JTQLQIEISA-N 1 2 232.291 0.636 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000885579835 588562646 /nfs/dbraw/zinc/56/26/46/588562646.db2.gz OLNMUYYIXVCVBV-MWLCHTKSSA-N 1 2 238.287 0.931 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000885579833 588562710 /nfs/dbraw/zinc/56/27/10/588562710.db2.gz OLNMUYYIXVCVBV-GXSJLCMTSA-N 1 2 238.287 0.931 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850869145 588571687 /nfs/dbraw/zinc/57/16/87/588571687.db2.gz NJRPCNIUGOKFPG-MYJAWHEDSA-N 1 2 222.244 0.356 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cnc2n1CCC2 ZINC000850868722 588571714 /nfs/dbraw/zinc/57/17/14/588571714.db2.gz ICQVLNSHOGZOMO-UHFFFAOYSA-N 1 2 246.270 0.920 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850998998 588582950 /nfs/dbraw/zinc/58/29/50/588582950.db2.gz XEGGGOFYFWKFKU-UKKRHICBSA-N 1 2 243.278 0.466 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850998998 588582952 /nfs/dbraw/zinc/58/29/52/588582952.db2.gz XEGGGOFYFWKFKU-UKKRHICBSA-N 1 2 243.278 0.466 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)C[C@@H](O)c1ccccn1 ZINC000851721222 588617375 /nfs/dbraw/zinc/61/73/75/588617375.db2.gz DWZXQGUIBZLKTL-GFCCVEGCSA-N 1 2 249.314 0.325 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)C[C@@H](O)c1ccccn1 ZINC000851721222 588617376 /nfs/dbraw/zinc/61/73/76/588617376.db2.gz DWZXQGUIBZLKTL-GFCCVEGCSA-N 1 2 249.314 0.325 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(C)nc(C)n1 ZINC000851733256 588619768 /nfs/dbraw/zinc/61/97/68/588619768.db2.gz PEAUSVIKOPBUCH-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)nc(C)n1 ZINC000851733256 588619769 /nfs/dbraw/zinc/61/97/69/588619769.db2.gz PEAUSVIKOPBUCH-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(OC)ns1 ZINC000851733194 588619821 /nfs/dbraw/zinc/61/98/21/588619821.db2.gz MTUSMCALHZJBMK-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(OC)ns1 ZINC000851733194 588619822 /nfs/dbraw/zinc/61/98/22/588619822.db2.gz MTUSMCALHZJBMK-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H]1CCC(=O)O1 ZINC000851738130 588620733 /nfs/dbraw/zinc/62/07/33/588620733.db2.gz WJBWTPZHAGQNGO-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CCC(=O)O1 ZINC000851738130 588620734 /nfs/dbraw/zinc/62/07/34/588620734.db2.gz WJBWTPZHAGQNGO-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1CCC(=O)O1)C(C)C ZINC000851745009 588621740 /nfs/dbraw/zinc/62/17/40/588621740.db2.gz UPNBBQVXRYNQTL-JTQLQIEISA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1CCC(=O)O1)C(C)C ZINC000851745009 588621741 /nfs/dbraw/zinc/62/17/41/588621741.db2.gz UPNBBQVXRYNQTL-JTQLQIEISA-N 1 2 243.303 0.966 20 0 BCADLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000851747468 588622229 /nfs/dbraw/zinc/62/22/29/588622229.db2.gz UJGCXXKNOCNFAD-SNVBAGLBSA-N 1 2 239.275 0.987 20 0 BCADLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cnon1 ZINC000851747468 588622230 /nfs/dbraw/zinc/62/22/30/588622230.db2.gz UJGCXXKNOCNFAD-SNVBAGLBSA-N 1 2 239.275 0.987 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1cnon1 ZINC000851770162 588625508 /nfs/dbraw/zinc/62/55/08/588625508.db2.gz OVDBQTGFPOMKBD-UHFFFAOYSA-N 1 2 207.237 0.398 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1cnon1 ZINC000851770162 588625509 /nfs/dbraw/zinc/62/55/09/588625509.db2.gz OVDBQTGFPOMKBD-UHFFFAOYSA-N 1 2 207.237 0.398 20 0 BCADLO CCn1ncc(C[NH+]2CCC([C@H](C)O)CC2)n1 ZINC000851770781 588625513 /nfs/dbraw/zinc/62/55/13/588625513.db2.gz SWXLLPDNFGBAKB-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[NH+]2CCC([C@@H](C)O)CC2)n1 ZINC000851770782 588625577 /nfs/dbraw/zinc/62/55/77/588625577.db2.gz SWXLLPDNFGBAKB-SNVBAGLBSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851810532 588632331 /nfs/dbraw/zinc/63/23/31/588632331.db2.gz IJPHNBAZKXCZHF-NXEZZACHSA-N 1 2 243.303 0.964 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851810532 588632332 /nfs/dbraw/zinc/63/23/32/588632332.db2.gz IJPHNBAZKXCZHF-NXEZZACHSA-N 1 2 243.303 0.964 20 0 BCADLO C[C@@H]1COCC[N@H+](CCc2cnn[nH]2)C1 ZINC000851865233 588636308 /nfs/dbraw/zinc/63/63/08/588636308.db2.gz AWIVVKUBZCTZNE-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO C[C@@H]1COCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000851865233 588636309 /nfs/dbraw/zinc/63/63/09/588636309.db2.gz AWIVVKUBZCTZNE-VIFPVBQESA-N 1 2 210.281 0.316 20 0 BCADLO CCOCCO[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851863238 588636322 /nfs/dbraw/zinc/63/63/22/588636322.db2.gz LPYPCMPWBLVJNC-NSHDSACASA-N 1 2 241.291 0.697 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851863238 588636323 /nfs/dbraw/zinc/63/63/23/588636323.db2.gz LPYPCMPWBLVJNC-NSHDSACASA-N 1 2 241.291 0.697 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCC(=O)O1 ZINC000851866546 588636638 /nfs/dbraw/zinc/63/66/38/588636638.db2.gz OQJHDSBDBJDJEG-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC(=O)O1 ZINC000851866546 588636639 /nfs/dbraw/zinc/63/66/39/588636639.db2.gz OQJHDSBDBJDJEG-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO c1cn(CC2CC[NH+](Cc3cnon3)CC2)nn1 ZINC000851866950 588636805 /nfs/dbraw/zinc/63/68/05/588636805.db2.gz UPNLQXNEXGXIOT-UHFFFAOYSA-N 1 2 248.290 0.573 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851870072 588637261 /nfs/dbraw/zinc/63/72/61/588637261.db2.gz AKWMCFGUJGKUJM-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851870072 588637262 /nfs/dbraw/zinc/63/72/62/588637262.db2.gz AKWMCFGUJGKUJM-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO COCCO[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851872347 588637610 /nfs/dbraw/zinc/63/76/10/588637610.db2.gz FLYJOLYJUIELNL-LLVKDONJSA-N 1 2 241.291 0.697 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851872347 588637611 /nfs/dbraw/zinc/63/76/11/588637611.db2.gz FLYJOLYJUIELNL-LLVKDONJSA-N 1 2 241.291 0.697 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000851876460 588638051 /nfs/dbraw/zinc/63/80/51/588638051.db2.gz FRFOLUWAYMOCBS-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000851876460 588638052 /nfs/dbraw/zinc/63/80/52/588638052.db2.gz FRFOLUWAYMOCBS-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO CCc1nocc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000851878447 588639080 /nfs/dbraw/zinc/63/90/80/588639080.db2.gz LGAOUCLCUMETTH-NSHDSACASA-N 1 2 240.303 0.820 20 0 BCADLO CCc1nocc1C[N@H+]1CCOC[C@@H]1CCO ZINC000851878447 588639081 /nfs/dbraw/zinc/63/90/81/588639081.db2.gz LGAOUCLCUMETTH-NSHDSACASA-N 1 2 240.303 0.820 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCOC(F)F ZINC000851883359 588639397 /nfs/dbraw/zinc/63/93/97/588639397.db2.gz FSCULXDEKBSUCP-LURJTMIESA-N 1 2 240.275 0.128 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1CCOC(F)F ZINC000851883359 588639398 /nfs/dbraw/zinc/63/93/98/588639398.db2.gz FSCULXDEKBSUCP-LURJTMIESA-N 1 2 240.275 0.128 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000851884733 588639811 /nfs/dbraw/zinc/63/98/11/588639811.db2.gz AMWMZFUPEZUVGU-WCBMZHEXSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000851884733 588639812 /nfs/dbraw/zinc/63/98/12/588639812.db2.gz AMWMZFUPEZUVGU-WCBMZHEXSA-N 1 2 210.281 0.111 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCC(OC)OC)C1CC1 ZINC000851886975 588640468 /nfs/dbraw/zinc/64/04/68/588640468.db2.gz WGUFPAGWMXLSJG-GFCCVEGCSA-N 1 2 245.319 0.927 20 0 BCADLO COC[C@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851887087 588640493 /nfs/dbraw/zinc/64/04/93/588640493.db2.gz XKUPUDDWILJDIG-NSHDSACASA-N 1 2 249.307 0.163 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCC(OC)OC)C1CC1 ZINC000851886977 588640754 /nfs/dbraw/zinc/64/07/54/588640754.db2.gz WGUFPAGWMXLSJG-LBPRGKRZSA-N 1 2 245.319 0.927 20 0 BCADLO CCONC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851919609 588643701 /nfs/dbraw/zinc/64/37/01/588643701.db2.gz UEWUBUSEOMXCPM-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CCC(=O)O1 ZINC000851920846 588643834 /nfs/dbraw/zinc/64/38/34/588643834.db2.gz TZADOJWOGVFKKE-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CCC(=O)O1 ZINC000851920846 588643835 /nfs/dbraw/zinc/64/38/35/588643835.db2.gz TZADOJWOGVFKKE-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851968283 588649231 /nfs/dbraw/zinc/64/92/31/588649231.db2.gz LTASIOJZQBTSQZ-PWSUYJOCSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccccn1 ZINC000851968283 588649232 /nfs/dbraw/zinc/64/92/32/588649232.db2.gz LTASIOJZQBTSQZ-PWSUYJOCSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C[N@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000851975108 588649897 /nfs/dbraw/zinc/64/98/97/588649897.db2.gz NJJWVQQMERQVIS-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000851975108 588649898 /nfs/dbraw/zinc/64/98/98/588649898.db2.gz NJJWVQQMERQVIS-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnon1 ZINC000851975308 588650031 /nfs/dbraw/zinc/65/00/31/588650031.db2.gz PGDCZDTYKGZKFE-SFGNSQDASA-N 1 2 236.275 0.155 20 0 BCADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnon1 ZINC000851975308 588650032 /nfs/dbraw/zinc/65/00/32/588650032.db2.gz PGDCZDTYKGZKFE-SFGNSQDASA-N 1 2 236.275 0.155 20 0 BCADLO C[C@@H]1C[NH+](C[C@@H]2CCC(=O)O2)C[C@@H](C)S1=O ZINC000851979982 588650831 /nfs/dbraw/zinc/65/08/31/588650831.db2.gz NFJLRRNFHHCSDM-BBBLOLIVSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(F)F)CC[S@](=O)C1 ZINC000851987816 588652639 /nfs/dbraw/zinc/65/26/39/588652639.db2.gz QKTRCOUESHPHQL-GLEZIHRCSA-N 1 2 241.303 0.926 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(F)F)CC[S@](=O)C1 ZINC000851987816 588652640 /nfs/dbraw/zinc/65/26/40/588652640.db2.gz QKTRCOUESHPHQL-GLEZIHRCSA-N 1 2 241.303 0.926 20 0 BCADLO COCC[N@H+](Cc1cnon1)[C@@H]1CCOC1 ZINC000851995430 588653413 /nfs/dbraw/zinc/65/34/13/588653413.db2.gz ZEEUBOMAYJAGRJ-SNVBAGLBSA-N 1 2 227.264 0.307 20 0 BCADLO COCC[N@@H+](Cc1cnon1)[C@@H]1CCOC1 ZINC000851995430 588653414 /nfs/dbraw/zinc/65/34/14/588653414.db2.gz ZEEUBOMAYJAGRJ-SNVBAGLBSA-N 1 2 227.264 0.307 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000851997397 588653523 /nfs/dbraw/zinc/65/35/23/588653523.db2.gz JCVWNONYPFECNM-GFCCVEGCSA-N 1 2 249.318 0.010 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000851997397 588653524 /nfs/dbraw/zinc/65/35/24/588653524.db2.gz JCVWNONYPFECNM-GFCCVEGCSA-N 1 2 249.318 0.010 20 0 BCADLO O=C1CC[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000852017268 588655835 /nfs/dbraw/zinc/65/58/35/588655835.db2.gz XLVDLCXVGWFXMJ-HTQZYQBOSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1CC[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000852017268 588655836 /nfs/dbraw/zinc/65/58/36/588655836.db2.gz XLVDLCXVGWFXMJ-HTQZYQBOSA-N 1 2 235.230 0.658 20 0 BCADLO C[C@]1([NH2+]CCO[C@H]2CC2(F)F)CCOC1=O ZINC000852063073 588658426 /nfs/dbraw/zinc/65/84/26/588658426.db2.gz NINKSYUDDUUDGX-CBAPKCEASA-N 1 2 235.230 0.706 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000852070354 588659162 /nfs/dbraw/zinc/65/91/62/588659162.db2.gz RWKAHGZCMZUMSM-GFCCVEGCSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000852070354 588659163 /nfs/dbraw/zinc/65/91/63/588659163.db2.gz RWKAHGZCMZUMSM-GFCCVEGCSA-N 1 2 246.318 0.942 20 0 BCADLO OC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000852093550 588661253 /nfs/dbraw/zinc/66/12/53/588661253.db2.gz MXNLPJISHLCWKV-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO OC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000852093550 588661254 /nfs/dbraw/zinc/66/12/54/588661254.db2.gz MXNLPJISHLCWKV-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852112983 588664637 /nfs/dbraw/zinc/66/46/37/588664637.db2.gz SWTNAAOCLHRDOQ-JTQLQIEISA-N 1 2 226.251 0.414 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852112983 588664638 /nfs/dbraw/zinc/66/46/38/588664638.db2.gz SWTNAAOCLHRDOQ-JTQLQIEISA-N 1 2 226.251 0.414 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000852122568 588665378 /nfs/dbraw/zinc/66/53/78/588665378.db2.gz GMJYXIQFVITZIC-VIFPVBQESA-N 1 2 232.234 0.017 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000852122568 588665379 /nfs/dbraw/zinc/66/53/79/588665379.db2.gz GMJYXIQFVITZIC-VIFPVBQESA-N 1 2 232.234 0.017 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)on1 ZINC000852122883 588665427 /nfs/dbraw/zinc/66/54/27/588665427.db2.gz KPNIHAJIYWEIDY-SNVBAGLBSA-N 1 2 248.229 0.885 20 0 BCADLO COc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)on1 ZINC000852122883 588665428 /nfs/dbraw/zinc/66/54/28/588665428.db2.gz KPNIHAJIYWEIDY-SNVBAGLBSA-N 1 2 248.229 0.885 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000852140596 588666290 /nfs/dbraw/zinc/66/62/90/588666290.db2.gz XZVSCDYQTWXPQK-ZJUUUORDSA-N 1 2 247.360 0.673 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000852140594 588666433 /nfs/dbraw/zinc/66/64/33/588666433.db2.gz XZVSCDYQTWXPQK-VHSXEESVSA-N 1 2 247.360 0.673 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@H]2CC[C@H](OC)C2)C1 ZINC000852140592 588666464 /nfs/dbraw/zinc/66/64/64/588666464.db2.gz XZVSCDYQTWXPQK-UWVGGRQHSA-N 1 2 247.360 0.673 20 0 BCADLO CON1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000852144445 588666828 /nfs/dbraw/zinc/66/68/28/588666828.db2.gz PYDIKCXHJRPPKC-VIFPVBQESA-N 1 2 236.262 0.590 20 0 BCADLO COCC1(C[NH2+][C@@](C)(CO)C(=O)OC)CCC1 ZINC000852160010 588668069 /nfs/dbraw/zinc/66/80/69/588668069.db2.gz XAQPZKCOXGNINR-NSHDSACASA-N 1 2 245.319 0.317 20 0 BCADLO CC(C)[N@@H+](Cc1cnon1)C[C@@H]1CCC(=O)N1 ZINC000852177700 588669674 /nfs/dbraw/zinc/66/96/74/588669674.db2.gz ONCRGEGUJYRGBN-VIFPVBQESA-N 1 2 238.291 0.559 20 0 BCADLO CC(C)[N@H+](Cc1cnon1)C[C@@H]1CCC(=O)N1 ZINC000852177700 588669675 /nfs/dbraw/zinc/66/96/75/588669675.db2.gz ONCRGEGUJYRGBN-VIFPVBQESA-N 1 2 238.291 0.559 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](NC(C)=O)C2)n1 ZINC000852183945 588669902 /nfs/dbraw/zinc/66/99/02/588669902.db2.gz BUONBFGTXWWUFW-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](NC(C)=O)C2)n1 ZINC000852183945 588669903 /nfs/dbraw/zinc/66/99/03/588669903.db2.gz BUONBFGTXWWUFW-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO CC1(C)C[N@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000852184470 588670383 /nfs/dbraw/zinc/67/03/83/588670383.db2.gz CSVUTUNWMYQWEU-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO CC1(C)C[N@@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000852184470 588670384 /nfs/dbraw/zinc/67/03/84/588670384.db2.gz CSVUTUNWMYQWEU-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852184613 588670641 /nfs/dbraw/zinc/67/06/41/588670641.db2.gz NFFLLJGEOCYSQX-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852184613 588670642 /nfs/dbraw/zinc/67/06/42/588670642.db2.gz NFFLLJGEOCYSQX-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)c1ccccc1 ZINC000852188849 588670829 /nfs/dbraw/zinc/67/08/29/588670829.db2.gz PBJSFKIWVMLGEI-SNVBAGLBSA-N 1 2 249.270 0.941 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)c1ccccc1 ZINC000852188849 588670830 /nfs/dbraw/zinc/67/08/30/588670830.db2.gz PBJSFKIWVMLGEI-SNVBAGLBSA-N 1 2 249.270 0.941 20 0 BCADLO C[N@H+](CCOC(F)F)Cc1n[nH]c(=O)o1 ZINC000852187542 588670840 /nfs/dbraw/zinc/67/08/40/588670840.db2.gz SBOCOUBLUFGBNC-UHFFFAOYSA-N 1 2 223.179 0.446 20 0 BCADLO C[N@@H+](CCOC(F)F)Cc1n[nH]c(=O)o1 ZINC000852187542 588670841 /nfs/dbraw/zinc/67/08/41/588670841.db2.gz SBOCOUBLUFGBNC-UHFFFAOYSA-N 1 2 223.179 0.446 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H](O)c2ccccn2)n1 ZINC000852218481 588673682 /nfs/dbraw/zinc/67/36/82/588673682.db2.gz IXDCVULBDKVMBP-NSHDSACASA-N 1 2 248.286 0.938 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H](O)c2ccccn2)n1 ZINC000852218481 588673683 /nfs/dbraw/zinc/67/36/83/588673683.db2.gz IXDCVULBDKVMBP-NSHDSACASA-N 1 2 248.286 0.938 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000852288324 588675643 /nfs/dbraw/zinc/67/56/43/588675643.db2.gz NIFRSPLXFVLUPM-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000852288324 588675644 /nfs/dbraw/zinc/67/56/44/588675644.db2.gz NIFRSPLXFVLUPM-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000852288324 588675645 /nfs/dbraw/zinc/67/56/45/588675645.db2.gz NIFRSPLXFVLUPM-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000852288324 588675646 /nfs/dbraw/zinc/67/56/46/588675646.db2.gz NIFRSPLXFVLUPM-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO COCCONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852288136 588675648 /nfs/dbraw/zinc/67/56/48/588675648.db2.gz RTNXXKCGPPMDRO-QMMMGPOBSA-N 1 2 242.279 0.358 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432987 588681994 /nfs/dbraw/zinc/68/19/94/588681994.db2.gz RQLKMQBUFYXABG-IUCAKERBSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432987 588681995 /nfs/dbraw/zinc/68/19/95/588681995.db2.gz RQLKMQBUFYXABG-IUCAKERBSA-N 1 2 242.275 0.074 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2COC(C)(C)O2)o1 ZINC000852471327 588683234 /nfs/dbraw/zinc/68/32/34/588683234.db2.gz LEYYFHRIXYTNCH-VIFPVBQESA-N 1 2 241.291 0.961 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)o1 ZINC000852471327 588683235 /nfs/dbraw/zinc/68/32/35/588683235.db2.gz LEYYFHRIXYTNCH-VIFPVBQESA-N 1 2 241.291 0.961 20 0 BCADLO COCC[N@H+](CCF)Cc1cnn(C)c1 ZINC000852483143 588684580 /nfs/dbraw/zinc/68/45/80/588684580.db2.gz BCTAYDTWULHGHT-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@@H+](CCF)Cc1cnn(C)c1 ZINC000852483143 588684581 /nfs/dbraw/zinc/68/45/81/588684581.db2.gz BCTAYDTWULHGHT-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@H+](CCF)[C@H]1CCN(C)C1=O ZINC000852483757 588684783 /nfs/dbraw/zinc/68/47/83/588684783.db2.gz QTZZKXNYGALBKM-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO COCC[N@@H+](CCF)[C@H]1CCN(C)C1=O ZINC000852483757 588684784 /nfs/dbraw/zinc/68/47/84/588684784.db2.gz QTZZKXNYGALBKM-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO Cc1ccnc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000852497666 588685661 /nfs/dbraw/zinc/68/56/61/588685661.db2.gz ZGCADUHMBWYBKQ-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO Cc1ccnc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000852497666 588685662 /nfs/dbraw/zinc/68/56/62/588685662.db2.gz ZGCADUHMBWYBKQ-LLVKDONJSA-N 1 2 237.303 0.632 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3cnon3)CC[C@H]2N1 ZINC000852495980 588685790 /nfs/dbraw/zinc/68/57/90/588685790.db2.gz OBELJQSAWFTXFO-PSASIEDQSA-N 1 2 236.275 0.170 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3cnon3)CC[C@H]2N1 ZINC000852495980 588685791 /nfs/dbraw/zinc/68/57/91/588685791.db2.gz OBELJQSAWFTXFO-PSASIEDQSA-N 1 2 236.275 0.170 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)C1CC1 ZINC000852578461 588691710 /nfs/dbraw/zinc/69/17/10/588691710.db2.gz NIUZDWWOXAWZCQ-GXSJLCMTSA-N 1 2 233.283 0.638 20 0 BCADLO O[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C12CCC2 ZINC000852581657 588691862 /nfs/dbraw/zinc/69/18/62/588691862.db2.gz MGUAPMVAXWGADM-BDAKNGLRSA-N 1 2 225.317 0.931 20 0 BCADLO COC[C@]1(C(=O)OC)CCC[N@H+]1CCF ZINC000852635568 588693764 /nfs/dbraw/zinc/69/37/64/588693764.db2.gz VEMNOOAGVWEBNA-JTQLQIEISA-N 1 2 219.256 0.610 20 0 BCADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCF ZINC000852635568 588693763 /nfs/dbraw/zinc/69/37/63/588693763.db2.gz VEMNOOAGVWEBNA-JTQLQIEISA-N 1 2 219.256 0.610 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](CC1OCCO1)C2 ZINC000852698043 588696555 /nfs/dbraw/zinc/69/65/55/588696555.db2.gz LAIGQCQRYOWISI-UHFFFAOYSA-N 1 2 221.260 0.208 20 0 BCADLO c1cnc2c(n1)CC[N@H+](CC1OCCO1)C2 ZINC000852698043 588696556 /nfs/dbraw/zinc/69/65/56/588696556.db2.gz LAIGQCQRYOWISI-UHFFFAOYSA-N 1 2 221.260 0.208 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCc2nccnc2C1 ZINC000852699159 588696711 /nfs/dbraw/zinc/69/67/11/588696711.db2.gz CNFNQNGQSYYVLZ-KMKOMSMNSA-N 1 2 247.298 0.954 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCc2nccnc2C1 ZINC000852699159 588696712 /nfs/dbraw/zinc/69/67/12/588696712.db2.gz CNFNQNGQSYYVLZ-KMKOMSMNSA-N 1 2 247.298 0.954 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CC[S@@](C)=O ZINC000852707410 588697157 /nfs/dbraw/zinc/69/71/57/588697157.db2.gz HWNGYYKRWGGEIB-RPFRGFIWSA-N 1 2 245.344 0.392 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CC[S@@](C)=O ZINC000852707410 588697158 /nfs/dbraw/zinc/69/71/58/588697158.db2.gz HWNGYYKRWGGEIB-RPFRGFIWSA-N 1 2 245.344 0.392 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852782054 588702177 /nfs/dbraw/zinc/70/21/77/588702177.db2.gz IGJSVNSOXNTVRE-BJOHPYRUSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852782054 588702178 /nfs/dbraw/zinc/70/21/78/588702178.db2.gz IGJSVNSOXNTVRE-BJOHPYRUSA-N 1 2 241.303 0.721 20 0 BCADLO COC1CC(C(=O)O[C@@H]2CC[N@H+](CCF)C2)C1 ZINC000860718943 589116186 /nfs/dbraw/zinc/11/61/86/589116186.db2.gz NAILIKUNQYNWEM-HSOILSAZSA-N 1 2 245.294 0.998 20 0 BCADLO COC1CC(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC000860718943 589116188 /nfs/dbraw/zinc/11/61/88/589116188.db2.gz NAILIKUNQYNWEM-HSOILSAZSA-N 1 2 245.294 0.998 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)COC ZINC000118393562 589169264 /nfs/dbraw/zinc/16/92/64/589169264.db2.gz GTVZIGQURNZCAV-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)COC ZINC000118393562 589169266 /nfs/dbraw/zinc/16/92/66/589169266.db2.gz GTVZIGQURNZCAV-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000118398808 589169503 /nfs/dbraw/zinc/16/95/03/589169503.db2.gz ZRUXSJDPTVKZIE-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCO[C@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000861752224 589176409 /nfs/dbraw/zinc/17/64/09/589176409.db2.gz BUTXGNQFBBSUJB-NSHDSACASA-N 1 2 237.303 0.851 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C12CC(C1)C2 ZINC000861753105 589176426 /nfs/dbraw/zinc/17/64/26/589176426.db2.gz TWNSGRCRKLGLOQ-UHFFFAOYSA-N 1 2 205.261 0.836 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861763147 589176924 /nfs/dbraw/zinc/17/69/24/589176924.db2.gz KFZDEGUIDDEBBO-JTQLQIEISA-N 1 2 221.260 0.065 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861763147 589176925 /nfs/dbraw/zinc/17/69/25/589176925.db2.gz KFZDEGUIDDEBBO-JTQLQIEISA-N 1 2 221.260 0.065 20 0 BCADLO CC(C)(C)C(=O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760719 589176980 /nfs/dbraw/zinc/17/69/80/589176980.db2.gz MTYHGAMMUVBGDM-UHFFFAOYSA-N 1 2 235.287 0.910 20 0 BCADLO CC(C)(C)C(=O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760719 589176981 /nfs/dbraw/zinc/17/69/81/589176981.db2.gz MTYHGAMMUVBGDM-UHFFFAOYSA-N 1 2 235.287 0.910 20 0 BCADLO C[C@@](O)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000861763770 589177353 /nfs/dbraw/zinc/17/73/53/589177353.db2.gz ZJHBMDMSSGFEHC-ZDUSSCGKSA-N 1 2 249.314 0.846 20 0 BCADLO C[C@@](O)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000861763770 589177354 /nfs/dbraw/zinc/17/73/54/589177354.db2.gz ZJHBMDMSSGFEHC-ZDUSSCGKSA-N 1 2 249.314 0.846 20 0 BCADLO C[C@](O)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000861763769 589177368 /nfs/dbraw/zinc/17/73/68/589177368.db2.gz ZJHBMDMSSGFEHC-CYBMUJFWSA-N 1 2 249.314 0.846 20 0 BCADLO C[C@](O)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000861763769 589177369 /nfs/dbraw/zinc/17/73/69/589177369.db2.gz ZJHBMDMSSGFEHC-CYBMUJFWSA-N 1 2 249.314 0.846 20 0 BCADLO CC(C)(C(=O)NC[C@@H]1COCO1)c1c[nH]c[nH+]1 ZINC000861979347 589188398 /nfs/dbraw/zinc/18/83/98/589188398.db2.gz VKWRAMHGUBDVBI-MRVPVSSYSA-N 1 2 239.275 0.176 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1COCO1 ZINC000861980681 589189091 /nfs/dbraw/zinc/18/90/91/589189091.db2.gz HQWFLDADZNTEQX-WCBMZHEXSA-N 1 2 239.275 0.077 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1COCO1 ZINC000861980681 589189092 /nfs/dbraw/zinc/18/90/92/589189092.db2.gz HQWFLDADZNTEQX-WCBMZHEXSA-N 1 2 239.275 0.077 20 0 BCADLO Cc1c[nH]c(CN2CCCC[C@@H]2C(N)=O)[nH+]1 ZINC000862213685 589194525 /nfs/dbraw/zinc/19/45/25/589194525.db2.gz SMXYWNBVHPWVTB-SECBINFHSA-N 1 2 222.292 0.558 20 0 BCADLO Cc1c(C[N@@H+](C)[C@H]2CCNC2=O)ccnc1F ZINC000862254273 589197378 /nfs/dbraw/zinc/19/73/78/589197378.db2.gz XPNSMPZKUZFWKB-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO Cc1c(C[N@H+](C)[C@H]2CCNC2=O)ccnc1F ZINC000862254273 589197379 /nfs/dbraw/zinc/19/73/79/589197379.db2.gz XPNSMPZKUZFWKB-JTQLQIEISA-N 1 2 237.278 0.849 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)o1 ZINC000862248984 589197701 /nfs/dbraw/zinc/19/77/01/589197701.db2.gz VSCJXRZFJCVIAR-SECBINFHSA-N 1 2 237.259 0.619 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)o1 ZINC000862248984 589197702 /nfs/dbraw/zinc/19/77/02/589197702.db2.gz VSCJXRZFJCVIAR-SECBINFHSA-N 1 2 237.259 0.619 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000862284904 589199521 /nfs/dbraw/zinc/19/95/21/589199521.db2.gz JCOFFMCCBJYGHY-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO Cc1c(F)nccc1C[NH2+]Cc1cn(C)nn1 ZINC000862310744 589200830 /nfs/dbraw/zinc/20/08/30/589200830.db2.gz FDJUIDBFQHDZCD-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@]23CCOC3=O)[nH+]1 ZINC000862332187 589200988 /nfs/dbraw/zinc/20/09/88/589200988.db2.gz GIGRUCJHRQDYTR-GFCCVEGCSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000862336230 589201209 /nfs/dbraw/zinc/20/12/09/589201209.db2.gz CWPHXHZRPABSRD-KOLCDFICSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000862336230 589201211 /nfs/dbraw/zinc/20/12/11/589201211.db2.gz CWPHXHZRPABSRD-KOLCDFICSA-N 1 2 207.277 0.532 20 0 BCADLO Cc1c[nH]c(CNCc2nc(N(C)C)no2)[nH+]1 ZINC000862330673 589201382 /nfs/dbraw/zinc/20/13/82/589201382.db2.gz ADXSCDWXKDTSGH-UHFFFAOYSA-N 1 2 236.279 0.457 20 0 BCADLO CNC(=O)C1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000862389018 589207610 /nfs/dbraw/zinc/20/76/10/589207610.db2.gz DEUGZCQYJPVXJZ-UHFFFAOYSA-N 1 2 222.292 0.204 20 0 BCADLO Cc1c[nH]c(CN2CC3(C2)CNC(=O)O3)[nH+]1 ZINC000862397017 589208798 /nfs/dbraw/zinc/20/87/98/589208798.db2.gz IQYXBQIKVUEFII-UHFFFAOYSA-N 1 2 222.248 0.012 20 0 BCADLO COC[C@H]1CCCN1NC(=O)Cn1cc[nH+]c1 ZINC000862590904 589226942 /nfs/dbraw/zinc/22/69/42/589226942.db2.gz OOPXTXQQANIFDM-SNVBAGLBSA-N 1 2 238.291 0.025 20 0 BCADLO C[C@H](CC(=O)NN1CCOC1=O)n1cc[nH+]c1 ZINC000862704291 589235247 /nfs/dbraw/zinc/23/52/47/589235247.db2.gz FEDHOPATQVRTCI-MRVPVSSYSA-N 1 2 238.247 0.318 20 0 BCADLO C[C@H](C(=O)Nn1cccn1)[NH+]1CCSCC1 ZINC000862768733 589239551 /nfs/dbraw/zinc/23/95/51/589239551.db2.gz OTBNTGWWMOFXKH-SECBINFHSA-N 1 2 240.332 0.391 20 0 BCADLO CCC/C=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862968921 589249325 /nfs/dbraw/zinc/24/93/25/589249325.db2.gz GVWXRAVIXKWUEA-ISALQUGTSA-N 1 2 226.320 0.790 20 0 BCADLO CCC/C=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862968921 589249326 /nfs/dbraw/zinc/24/93/26/589249326.db2.gz GVWXRAVIXKWUEA-ISALQUGTSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000862969747 589250148 /nfs/dbraw/zinc/25/01/48/589250148.db2.gz ISQAYGARRCQBFX-GHMZBOCLSA-N 1 2 240.303 0.126 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000862969747 589250150 /nfs/dbraw/zinc/25/01/50/589250150.db2.gz ISQAYGARRCQBFX-GHMZBOCLSA-N 1 2 240.303 0.126 20 0 BCADLO CS/C=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862970765 589250297 /nfs/dbraw/zinc/25/02/97/589250297.db2.gz MXXPMJAFWGAQPK-JVBZPZKUSA-N 1 2 230.333 0.310 20 0 BCADLO CS/C=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862970765 589250298 /nfs/dbraw/zinc/25/02/98/589250298.db2.gz MXXPMJAFWGAQPK-JVBZPZKUSA-N 1 2 230.333 0.310 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=COCCC1 ZINC000862973312 589250401 /nfs/dbraw/zinc/25/04/01/589250401.db2.gz LRBRNTRORFIRBY-LLVKDONJSA-N 1 2 240.303 0.128 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=COCCC1 ZINC000862973312 589250402 /nfs/dbraw/zinc/25/04/02/589250402.db2.gz LRBRNTRORFIRBY-LLVKDONJSA-N 1 2 240.303 0.128 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=S)NC1(C)CC1 ZINC000863226417 589273392 /nfs/dbraw/zinc/27/33/92/589273392.db2.gz FNYUBVWXNPYWHF-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=S)NC1(C)CC1 ZINC000863226417 589273393 /nfs/dbraw/zinc/27/33/93/589273393.db2.gz FNYUBVWXNPYWHF-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO CN1CC[N@H+](C[C@H](O)c2ccccc2)CC1=O ZINC000119373916 589275634 /nfs/dbraw/zinc/27/56/34/589275634.db2.gz HXMJAHHDMNKKGP-LBPRGKRZSA-N 1 2 234.299 0.494 20 0 BCADLO CN1CC[N@@H+](C[C@H](O)c2ccccc2)CC1=O ZINC000119373916 589275636 /nfs/dbraw/zinc/27/56/36/589275636.db2.gz HXMJAHHDMNKKGP-LBPRGKRZSA-N 1 2 234.299 0.494 20 0 BCADLO COCc1nn(C[N@@H+](C)CC2CC2)c(=O)o1 ZINC000119376468 589275782 /nfs/dbraw/zinc/27/57/82/589275782.db2.gz VFKYFVYTNBLIOP-UHFFFAOYSA-N 1 2 227.264 0.282 20 0 BCADLO COCc1nn(C[N@H+](C)CC2CC2)c(=O)o1 ZINC000119376468 589275780 /nfs/dbraw/zinc/27/57/80/589275780.db2.gz VFKYFVYTNBLIOP-UHFFFAOYSA-N 1 2 227.264 0.282 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000863283387 589275963 /nfs/dbraw/zinc/27/59/63/589275963.db2.gz MNMZVIKAFOWUOH-NXEZZACHSA-N 1 2 235.287 0.636 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304830 589277590 /nfs/dbraw/zinc/27/75/90/589277590.db2.gz CPVVRRZFSCBWCN-VHSXEESVSA-N 1 2 208.265 0.489 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304830 589277591 /nfs/dbraw/zinc/27/75/91/589277591.db2.gz CPVVRRZFSCBWCN-VHSXEESVSA-N 1 2 208.265 0.489 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCOC1CCOCC1 ZINC000863459099 589289986 /nfs/dbraw/zinc/28/99/86/589289986.db2.gz KUHGRGXOVQAECV-SECBINFHSA-N 1 2 246.307 0.715 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000863673295 589309852 /nfs/dbraw/zinc/30/98/52/589309852.db2.gz RPQQKPZUCZTBQY-ZKCHVHJHSA-N 1 2 209.249 0.246 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CO ZINC000864062387 589336889 /nfs/dbraw/zinc/33/68/89/589336889.db2.gz HHVXESOYSGIJPB-NXEZZACHSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CO ZINC000864062388 589337002 /nfs/dbraw/zinc/33/70/02/589337002.db2.gz HHVXESOYSGIJPB-UWVGGRQHSA-N 1 2 237.303 0.429 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cc1c[nH]c[nH+]1 ZINC000864061480 589337008 /nfs/dbraw/zinc/33/70/08/589337008.db2.gz YEZTTWJVXQGGPX-QPUJVOFHSA-N 1 2 235.287 0.636 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cc1c[nH+]c[nH]1 ZINC000864061480 589337009 /nfs/dbraw/zinc/33/70/09/589337009.db2.gz YEZTTWJVXQGGPX-QPUJVOFHSA-N 1 2 235.287 0.636 20 0 BCADLO C[C@@]12COC[C@@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000864060788 589337140 /nfs/dbraw/zinc/33/71/40/589337140.db2.gz NIVYVJKPKVTFRH-JOYOIKCWSA-N 1 2 235.287 0.447 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](O)C(F)(F)C1 ZINC000864067548 589338258 /nfs/dbraw/zinc/33/82/58/589338258.db2.gz JIFNRQYGPGJFQX-QMMMGPOBSA-N 1 2 245.229 0.181 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079349 589340795 /nfs/dbraw/zinc/34/07/95/589340795.db2.gz WONWINNQMNFCJB-BZFUBLJMSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079349 589340796 /nfs/dbraw/zinc/34/07/96/589340796.db2.gz WONWINNQMNFCJB-BZFUBLJMSA-N 1 2 230.283 0.385 20 0 BCADLO C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000864405812 589359033 /nfs/dbraw/zinc/35/90/33/589359033.db2.gz QUJOITLSTVXEGU-PSASIEDQSA-N 1 2 223.276 0.702 20 0 BCADLO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864409289 589359591 /nfs/dbraw/zinc/35/95/91/589359591.db2.gz BNNGXEWBXZBIQU-NGZCFLSTSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864569992 589379203 /nfs/dbraw/zinc/37/92/03/589379203.db2.gz OKIZKNNCVPYXCL-OTDNITJGSA-N 1 2 238.331 0.790 20 0 BCADLO CC(C)N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864778283 589394157 /nfs/dbraw/zinc/39/41/57/589394157.db2.gz RMMKCIHGRWKRDH-SNAWJCMRSA-N 1 2 226.320 0.742 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000864807271 589394795 /nfs/dbraw/zinc/39/47/95/589394795.db2.gz SWFVNXDSGQGUGR-QXFUBDJGSA-N 1 2 239.275 0.079 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000864807272 589394848 /nfs/dbraw/zinc/39/48/48/589394848.db2.gz SWFVNXDSGQGUGR-XKSSXDPKSA-N 1 2 239.275 0.079 20 0 BCADLO COC/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000864868612 589398704 /nfs/dbraw/zinc/39/87/04/589398704.db2.gz XXYVICIFBQLIAO-NSCUHMNNSA-N 1 2 209.249 0.202 20 0 BCADLO CN(CC1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864930969 589401473 /nfs/dbraw/zinc/40/14/73/589401473.db2.gz RSBJZMCGGUKCGH-SECBINFHSA-N 1 2 209.249 0.312 20 0 BCADLO CN(Cc1ccoc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864973485 589402833 /nfs/dbraw/zinc/40/28/33/589402833.db2.gz QWIKTWINVNNGBE-JTQLQIEISA-N 1 2 235.243 0.695 20 0 BCADLO CCCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865045634 589406089 /nfs/dbraw/zinc/40/60/89/589406089.db2.gz DJKPNKAQZVHDGD-SNAWJCMRSA-N 1 2 226.320 0.743 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cc[nH]n1 ZINC000865041169 589406448 /nfs/dbraw/zinc/40/64/48/589406448.db2.gz MYHVKQLJFQAMCJ-UPHRSURJSA-N 1 2 236.275 0.237 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865081678 589407824 /nfs/dbraw/zinc/40/78/24/589407824.db2.gz CWAWYYUSLUIQLF-APPZFPTMSA-N 1 2 211.265 0.700 20 0 BCADLO Nc1nc(NCCO)nc(C2CCCC2)[nH+]1 ZINC000865399821 589432535 /nfs/dbraw/zinc/43/25/35/589432535.db2.gz ZPNMVXHDEHGGPX-UHFFFAOYSA-N 1 2 223.280 0.516 20 0 BCADLO Nc1nc(NCCO)[nH+]c(C2CCCC2)n1 ZINC000865399821 589432536 /nfs/dbraw/zinc/43/25/36/589432536.db2.gz ZPNMVXHDEHGGPX-UHFFFAOYSA-N 1 2 223.280 0.516 20 0 BCADLO CCN1CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1=O ZINC000865677533 589455961 /nfs/dbraw/zinc/45/59/61/589455961.db2.gz BEVFRJQQOCFERB-SNVBAGLBSA-N 1 2 249.314 0.803 20 0 BCADLO C[C@@H](O)c1ccc(N2CCN(C)C(=O)[C@@H]2C)[nH+]c1 ZINC000865689441 589456198 /nfs/dbraw/zinc/45/61/98/589456198.db2.gz GZADKWLMAQGLAM-VHSXEESVSA-N 1 2 249.314 0.802 20 0 BCADLO Cn1nnc(C[NH2+]C(C)(C)[C@H]2CCCCO2)n1 ZINC000865744257 589460435 /nfs/dbraw/zinc/46/04/35/589460435.db2.gz QISBNJPXVCGXRE-SECBINFHSA-N 1 2 239.323 0.647 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865872494 589466344 /nfs/dbraw/zinc/46/63/44/589466344.db2.gz XEOQCMWTHGVDSZ-INTQDDNPSA-N 1 2 238.287 0.961 20 0 BCADLO CON(C)C(=O)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865883975 589467230 /nfs/dbraw/zinc/46/72/30/589467230.db2.gz OBNIZIKNWJIZMY-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO CC1(C)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866002158 589471947 /nfs/dbraw/zinc/47/19/47/589471947.db2.gz ZIEUXULZIMONHG-ONEGZZNKSA-N 1 2 238.331 0.886 20 0 BCADLO Cc1noc(C(=O)N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000866003883 589472189 /nfs/dbraw/zinc/47/21/89/589472189.db2.gz XQXRLKXCLUSJGS-SSDOTTSWSA-N 1 2 233.231 0.449 20 0 BCADLO Cc1noc(C(=O)N[C@H]2CCn3cc[nH+]c32)n1 ZINC000866003894 589472202 /nfs/dbraw/zinc/47/22/02/589472202.db2.gz XQXRLKXCLUSJGS-ZETCQYMHSA-N 1 2 233.231 0.449 20 0 BCADLO CCCCc1cc(NC[C@@H](O)[C@@H](C)O)nc[nH+]1 ZINC000866111397 589476931 /nfs/dbraw/zinc/47/69/31/589476931.db2.gz CUUQPLUYJGPXSF-MWLCHTKSSA-N 1 2 239.319 0.973 20 0 BCADLO CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000866146681 589478223 /nfs/dbraw/zinc/47/82/23/589478223.db2.gz NXBYYWKAHCGNIL-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000866146681 589478224 /nfs/dbraw/zinc/47/82/24/589478224.db2.gz NXBYYWKAHCGNIL-NSHDSACASA-N 1 2 247.298 0.035 20 0 BCADLO CN1C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1=O ZINC000866165056 589478660 /nfs/dbraw/zinc/47/86/60/589478660.db2.gz HHFHQUXXIYKJQE-DTORHVGOSA-N 1 2 231.255 0.133 20 0 BCADLO CC(C)(CNc1cccc[nH+]1)CS(N)(=O)=O ZINC000866196513 589479717 /nfs/dbraw/zinc/47/97/17/589479717.db2.gz JYOHWVNZUSCRFR-UHFFFAOYSA-N 1 2 243.332 0.808 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NC1CC=CC1 ZINC000866592286 589501922 /nfs/dbraw/zinc/50/19/22/589501922.db2.gz PPUFGSMDSOVGHY-UTCJRWHESA-N 1 2 236.315 0.710 20 0 BCADLO COC[C@H](C)OC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000867561651 589525790 /nfs/dbraw/zinc/52/57/90/589525790.db2.gz DBGDLIAQPSCHMN-VHSXEESVSA-N 1 2 246.307 0.078 20 0 BCADLO COC[C@H](C)OC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000867561651 589525791 /nfs/dbraw/zinc/52/57/91/589525791.db2.gz DBGDLIAQPSCHMN-VHSXEESVSA-N 1 2 246.307 0.078 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCOC1 ZINC000868241326 589552717 /nfs/dbraw/zinc/55/27/17/589552717.db2.gz KBNNNEFHYVYVIK-HNQUOIGGSA-N 1 2 240.303 0.081 20 0 BCADLO O=C(CCC1(O)CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000868427497 589557717 /nfs/dbraw/zinc/55/77/17/589557717.db2.gz SEWSMTCZJMYGAW-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO O=C(CCC1(O)CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000868427497 589557718 /nfs/dbraw/zinc/55/77/18/589557718.db2.gz SEWSMTCZJMYGAW-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)[C@H](C)O1 ZINC000868412865 589557783 /nfs/dbraw/zinc/55/77/83/589557783.db2.gz KAGQJVGDZYIXHD-YWVKMMECSA-N 1 2 237.303 0.850 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]1C(F)(F)F ZINC000868439882 589558096 /nfs/dbraw/zinc/55/80/96/589558096.db2.gz YXAHMWOPDMCZAH-RNFRBKRXSA-N 1 2 249.192 0.606 20 0 BCADLO C=C=CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868497102 589560992 /nfs/dbraw/zinc/56/09/92/589560992.db2.gz QBXDSFSSCCCLKF-PLNGDYQASA-N 1 2 222.288 0.332 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1OCCO1 ZINC000122186750 589561611 /nfs/dbraw/zinc/56/16/11/589561611.db2.gz VMHNVOZPNOIBTD-BDAKNGLRSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC1OCCO1 ZINC000122186750 589561612 /nfs/dbraw/zinc/56/16/12/589561612.db2.gz VMHNVOZPNOIBTD-BDAKNGLRSA-N 1 2 201.266 0.469 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NOCC1CC1 ZINC000868553473 589563796 /nfs/dbraw/zinc/56/37/96/589563796.db2.gz HWHRAHAIKIMWTC-OWOJBTEDSA-N 1 2 240.303 0.333 20 0 BCADLO C[C@H](F)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868573405 589564778 /nfs/dbraw/zinc/56/47/78/589564778.db2.gz DHYSFAINANSDJK-QUCGXOGASA-N 1 2 244.310 0.739 20 0 BCADLO CC(=O)CN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000868597047 589566219 /nfs/dbraw/zinc/56/62/19/589566219.db2.gz SOIJGOSWHQQBBS-UHFFFAOYSA-N 1 2 223.276 0.778 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]1C1CC1 ZINC000868651915 589570550 /nfs/dbraw/zinc/57/05/50/589570550.db2.gz WOXIEVHOGDLPMX-ZJUUUORDSA-N 1 2 221.260 0.454 20 0 BCADLO C[C@@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)O ZINC000868663004 589571352 /nfs/dbraw/zinc/57/13/52/589571352.db2.gz FGBYLKZVFJPMQX-APPZFPTMSA-N 1 2 241.291 0.061 20 0 BCADLO CCC1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868833374 589578804 /nfs/dbraw/zinc/57/88/04/589578804.db2.gz OKKVEYMIYKMXPW-SECBINFHSA-N 1 2 209.249 0.312 20 0 BCADLO CCON(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000869084489 589586128 /nfs/dbraw/zinc/58/61/28/589586128.db2.gz AIEHCXHHYLDITJ-VIFPVBQESA-N 1 2 227.264 0.632 20 0 BCADLO CCCONC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869085265 589586616 /nfs/dbraw/zinc/58/66/16/589586616.db2.gz ZOTODDXYTGQAHG-ARJAWSKDSA-N 1 2 228.292 0.333 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H]2C[C@H]2C1 ZINC000869283012 589596391 /nfs/dbraw/zinc/59/63/91/589596391.db2.gz HTUVLYYKFRZRAN-OYNCUSHFSA-N 1 2 221.260 0.312 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC(CC2CC2)C1 ZINC000869358124 589600832 /nfs/dbraw/zinc/60/08/32/589600832.db2.gz SALPPYSSZNTULY-LLVKDONJSA-N 1 2 235.287 0.702 20 0 BCADLO COC/C=C\C(=O)OCc1c[nH+]cn1C ZINC000870220409 589648236 /nfs/dbraw/zinc/64/82/36/589648236.db2.gz WAXMCUYVTCCVSU-ARJAWSKDSA-N 1 2 210.233 0.666 20 0 BCADLO CC(C)NC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123130070 589665521 /nfs/dbraw/zinc/66/55/21/589665521.db2.gz STCYNDWHDQYSRH-JTQLQIEISA-N 1 2 244.408 0.105 20 0 BCADLO CC(C)NC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123130070 589665522 /nfs/dbraw/zinc/66/55/22/589665522.db2.gz STCYNDWHDQYSRH-JTQLQIEISA-N 1 2 244.408 0.105 20 0 BCADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)NC1COC1 ZINC000870872182 589693397 /nfs/dbraw/zinc/69/33/97/589693397.db2.gz KMGDTVNOXWXHOT-UHFFFAOYSA-N 1 2 249.245 0.531 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC ZINC000871630328 589779157 /nfs/dbraw/zinc/77/91/57/589779157.db2.gz YTNZGLZEBJHEEO-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC ZINC000871630328 589779161 /nfs/dbraw/zinc/77/91/61/589779161.db2.gz YTNZGLZEBJHEEO-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000871688345 589791839 /nfs/dbraw/zinc/79/18/39/589791839.db2.gz JGJMXEVULHRYMO-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCOC[C@@H]1CC ZINC000871688345 589791842 /nfs/dbraw/zinc/79/18/42/589791842.db2.gz JGJMXEVULHRYMO-JTQLQIEISA-N 1 2 245.392 0.581 20 0 BCADLO CC(C)NC(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871775012 589813793 /nfs/dbraw/zinc/81/37/93/589813793.db2.gz HUWVKCNJQMBYGN-UHFFFAOYSA-N 1 2 243.307 0.579 20 0 BCADLO Cn1ncnc1CO[NH+]=C(N)COC1CCC1 ZINC000871775792 589813934 /nfs/dbraw/zinc/81/39/34/589813934.db2.gz PJWAFUDWVSEHCT-UHFFFAOYSA-N 1 2 239.279 0.383 20 0 BCADLO O=c1c2c([nH]n1-c1ccnc(F)c1)CC[NH2+]C2 ZINC000871953676 589842585 /nfs/dbraw/zinc/84/25/85/589842585.db2.gz YVUMJGAHVNQWRM-MRVPVSSYSA-N 1 2 234.234 0.533 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000872140999 589881773 /nfs/dbraw/zinc/88/17/73/589881773.db2.gz HPGQWSZWXNTRMJ-AVPPRXQKSA-N 1 2 225.292 0.519 20 0 BCADLO CC[NH2+]Cc1noc([C@H](CC)NC(C)=O)n1 ZINC000872171823 589887970 /nfs/dbraw/zinc/88/79/70/589887970.db2.gz UVIFHKPMRBDCNP-QMMMGPOBSA-N 1 2 226.280 0.766 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1OCC2 ZINC000872280325 589904936 /nfs/dbraw/zinc/90/49/36/589904936.db2.gz LLLNVHQCSRVITO-SKDRFNHKSA-N 1 2 235.287 0.780 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC1OCCO1 ZINC000124032313 589906548 /nfs/dbraw/zinc/90/65/48/589906548.db2.gz UWHBWKBDYMSNCB-UHFFFAOYSA-N 1 2 217.265 0.244 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC1OCCO1 ZINC000124032313 589906550 /nfs/dbraw/zinc/90/65/50/589906550.db2.gz UWHBWKBDYMSNCB-UHFFFAOYSA-N 1 2 217.265 0.244 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@]23CCC[C@H]2OCC3)[nH]1 ZINC000872314858 589910089 /nfs/dbraw/zinc/91/00/89/589910089.db2.gz GMLPXOPTUXDZHD-XCBNKYQSSA-N 1 2 224.264 0.312 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317268 589910915 /nfs/dbraw/zinc/91/09/15/589910915.db2.gz MIXXQWSHYVYGRW-SECBINFHSA-N 1 2 234.303 0.207 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317268 589910916 /nfs/dbraw/zinc/91/09/16/589910916.db2.gz MIXXQWSHYVYGRW-SECBINFHSA-N 1 2 234.303 0.207 20 0 BCADLO O=C(Nc1nccs1)[C@@H]1CSC[NH2+]1 ZINC000019485946 589939544 /nfs/dbraw/zinc/93/95/44/589939544.db2.gz UZVGEGVQRBWJOX-YFKPBYRVSA-N 1 2 215.303 0.744 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)OC ZINC000872645256 589957890 /nfs/dbraw/zinc/95/78/90/589957890.db2.gz UKCGRONCNLXQJX-SECBINFHSA-N 1 2 216.281 0.453 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)OC ZINC000872645256 589957891 /nfs/dbraw/zinc/95/78/91/589957891.db2.gz UKCGRONCNLXQJX-SECBINFHSA-N 1 2 216.281 0.453 20 0 BCADLO CCn1c[nH+]cc1CNCc1nonc1C ZINC000873197089 589992024 /nfs/dbraw/zinc/99/20/24/589992024.db2.gz ZYDUCMZRARSRID-UHFFFAOYSA-N 1 2 221.264 0.884 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnc(N)cn2)[C@H](C(N)=O)C1 ZINC000873208468 589994387 /nfs/dbraw/zinc/99/43/87/589994387.db2.gz OGOBRFZMRFZXMK-SCZZXKLOSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)[C@H](C(N)=O)C1 ZINC000873208468 589994389 /nfs/dbraw/zinc/99/43/89/589994389.db2.gz OGOBRFZMRFZXMK-SCZZXKLOSA-N 1 2 249.318 0.145 20 0 BCADLO C[NH+]1CCN(C(=O)c2c(F)cncc2F)CC1 ZINC000873721423 590068172 /nfs/dbraw/zinc/06/81/72/590068172.db2.gz SZZPASAQIASADA-UHFFFAOYSA-N 1 2 241.241 0.747 20 0 BCADLO CCC[C@@H](CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000873979575 590082510 /nfs/dbraw/zinc/08/25/10/590082510.db2.gz VOIDIMMPPVLNJP-GFCCVEGCSA-N 1 2 242.363 0.949 20 0 BCADLO C[C@@H](C(=O)OCCF)[NH+]1CCSCC1 ZINC000124912377 590099166 /nfs/dbraw/zinc/09/91/66/590099166.db2.gz PIWQSZKCMGJMBQ-QMMMGPOBSA-N 1 2 221.297 0.936 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CN1CCOC1=O ZINC000874442720 590111225 /nfs/dbraw/zinc/11/12/25/590111225.db2.gz RXFMDKSNWCLUJM-UHFFFAOYSA-N 1 2 235.243 0.203 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1(Br)CC1 ZINC000874457059 590112708 /nfs/dbraw/zinc/11/27/08/590112708.db2.gz KUWWEVFYZXZBPZ-UHFFFAOYSA-N 1 2 244.092 0.953 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1OCCO1)C(C)(C)C ZINC000125067889 590116840 /nfs/dbraw/zinc/11/68/40/590116840.db2.gz BJHCVKYHOVYODE-JTQLQIEISA-N 1 2 245.319 0.927 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(F)F ZINC000874698829 590124410 /nfs/dbraw/zinc/12/44/10/590124410.db2.gz MDQYYOLUBAVZAZ-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(F)F ZINC000874698829 590124412 /nfs/dbraw/zinc/12/44/12/590124412.db2.gz MDQYYOLUBAVZAZ-MRVPVSSYSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)OC ZINC000874703599 590124423 /nfs/dbraw/zinc/12/44/23/590124423.db2.gz RUBRQPIIBAJIBV-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)OC ZINC000874703599 590124424 /nfs/dbraw/zinc/12/44/24/590124424.db2.gz RUBRQPIIBAJIBV-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000874711505 590125123 /nfs/dbraw/zinc/12/51/23/590125123.db2.gz PRYPLBIAWIQBDH-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(F)CC1 ZINC000874711505 590125125 /nfs/dbraw/zinc/12/51/25/590125125.db2.gz PRYPLBIAWIQBDH-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO CN(CC(C)(C)O)c1nccn2c[nH+]cc12 ZINC000874963012 590157595 /nfs/dbraw/zinc/15/75/95/590157595.db2.gz URFUTZFMKOVCQP-UHFFFAOYSA-N 1 2 220.276 0.936 20 0 BCADLO O=C(NCc1ccon1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875340280 590163048 /nfs/dbraw/zinc/16/30/48/590163048.db2.gz PXLKHXFZLJTTMB-VIFPVBQESA-N 1 2 247.258 0.295 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@H]1O ZINC000876305413 590194240 /nfs/dbraw/zinc/19/42/40/590194240.db2.gz HXIDARQCVOPZNE-NXEZZACHSA-N 1 2 238.291 0.133 20 0 BCADLO CCOC1CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000876306033 590194483 /nfs/dbraw/zinc/19/44/83/590194483.db2.gz YGEIGRODRUIVKN-UHFFFAOYSA-N 1 2 238.291 0.350 20 0 BCADLO Cc1nocc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000888719721 590195893 /nfs/dbraw/zinc/19/58/93/590195893.db2.gz YXIDLQGQGWJWFU-QMMMGPOBSA-N 1 2 247.258 0.926 20 0 BCADLO CCCn1cc(C[N@@H+]2CCC[C@@H](O)C2)nn1 ZINC000876528405 590209305 /nfs/dbraw/zinc/20/93/05/590209305.db2.gz XHTVJZBXBZDPKW-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1cc(C[N@H+]2CCC[C@@H](O)C2)nn1 ZINC000876528405 590209306 /nfs/dbraw/zinc/20/93/06/590209306.db2.gz XHTVJZBXBZDPKW-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1cc(C[N@H+](CCO)C2CC2)nn1 ZINC000876579100 590218017 /nfs/dbraw/zinc/21/80/17/590218017.db2.gz ATDDFUZSQMXHHI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1cc(C[N@@H+](CCO)C2CC2)nn1 ZINC000876579100 590218018 /nfs/dbraw/zinc/21/80/18/590218018.db2.gz ATDDFUZSQMXHHI-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc(OC)s1 ZINC000876577763 590218216 /nfs/dbraw/zinc/21/82/16/590218216.db2.gz NITUQXBLIDNKIS-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc(OC)s1 ZINC000876577763 590218218 /nfs/dbraw/zinc/21/82/18/590218218.db2.gz NITUQXBLIDNKIS-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(=O)[nH]c1 ZINC000876585323 590218629 /nfs/dbraw/zinc/21/86/29/590218629.db2.gz HSFHWUIPQZIVNI-UHFFFAOYSA-N 1 2 244.316 0.264 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(=O)[nH]c1 ZINC000876585323 590218630 /nfs/dbraw/zinc/21/86/30/590218630.db2.gz HSFHWUIPQZIVNI-UHFFFAOYSA-N 1 2 244.316 0.264 20 0 BCADLO CCCn1cc(C[N@@H+]2CCCOCC2)nn1 ZINC000876618396 590222352 /nfs/dbraw/zinc/22/23/52/590222352.db2.gz UAGVUSUAMNTMTF-UHFFFAOYSA-N 1 2 224.308 0.910 20 0 BCADLO CCCn1cc(C[N@H+]2CCCOCC2)nn1 ZINC000876618396 590222354 /nfs/dbraw/zinc/22/23/54/590222354.db2.gz UAGVUSUAMNTMTF-UHFFFAOYSA-N 1 2 224.308 0.910 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000877432099 590325794 /nfs/dbraw/zinc/32/57/94/590325794.db2.gz AQOXQCBEDJGMMU-PWSUYJOCSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000877432099 590325797 /nfs/dbraw/zinc/32/57/97/590325797.db2.gz AQOXQCBEDJGMMU-PWSUYJOCSA-N 1 2 238.335 0.891 20 0 BCADLO O=S1(=O)CCC(C[N@H+]2CC[C@H](F)C2)CC1 ZINC000877559174 590354721 /nfs/dbraw/zinc/35/47/21/590354721.db2.gz JMQJUMQHTKBKHS-JTQLQIEISA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CCC(C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000877559174 590354723 /nfs/dbraw/zinc/35/47/23/590354723.db2.gz JMQJUMQHTKBKHS-JTQLQIEISA-N 1 2 235.324 0.855 20 0 BCADLO CO[C@H](C[NH+]1CC2(C1)CNC(=O)O2)C1CC1 ZINC000877596301 590369576 /nfs/dbraw/zinc/36/95/76/590369576.db2.gz KTPARJMRZYISKC-SECBINFHSA-N 1 2 226.276 0.206 20 0 BCADLO CCONC(=O)C[NH2+]CCC[C@H]1CCO1 ZINC000877614088 590373436 /nfs/dbraw/zinc/37/34/36/590373436.db2.gz UVYWHHSTVMNWBP-VIFPVBQESA-N 1 2 216.281 0.213 20 0 BCADLO CCONC(=O)C[NH2+]CCC[C@@H]1CCO1 ZINC000877614078 590373709 /nfs/dbraw/zinc/37/37/09/590373709.db2.gz UVYWHHSTVMNWBP-SECBINFHSA-N 1 2 216.281 0.213 20 0 BCADLO Cc1cc(C[N@@H+]2CCCN(C=O)CC2)on1 ZINC000877641732 590382623 /nfs/dbraw/zinc/38/26/23/590382623.db2.gz HAOIQMSOUAVCQR-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cc(C[N@H+]2CCCN(C=O)CC2)on1 ZINC000877641732 590382626 /nfs/dbraw/zinc/38/26/26/590382626.db2.gz HAOIQMSOUAVCQR-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO OCC[NH+](CCO)Cc1nc(Cl)cs1 ZINC000877649465 590384005 /nfs/dbraw/zinc/38/40/05/590384005.db2.gz XUHKQPFOFOUOLS-UHFFFAOYSA-N 1 2 236.724 0.583 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000877750334 590413993 /nfs/dbraw/zinc/41/39/93/590413993.db2.gz NZFLNPKWZUSLOJ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000877750334 590413994 /nfs/dbraw/zinc/41/39/94/590413994.db2.gz NZFLNPKWZUSLOJ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccns2)C[C@@H]1O ZINC000877750705 590414042 /nfs/dbraw/zinc/41/40/42/590414042.db2.gz WCXYKTMEFRSBJK-BDAKNGLRSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1O ZINC000877750705 590414043 /nfs/dbraw/zinc/41/40/43/590414043.db2.gz WCXYKTMEFRSBJK-BDAKNGLRSA-N 1 2 214.290 0.071 20 0 BCADLO Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)nn1 ZINC000877779596 590423282 /nfs/dbraw/zinc/42/32/82/590423282.db2.gz CWJWPYSMQHVECN-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ccc(C[N@H+]2CCSC[C@H]2CO)nn1 ZINC000877779596 590423285 /nfs/dbraw/zinc/42/32/85/590423285.db2.gz CWJWPYSMQHVECN-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO CCn1c[nH+]cc1CN1CCCNC(=O)C1 ZINC000877834570 590430386 /nfs/dbraw/zinc/43/03/86/590430386.db2.gz VGUNFJYDKZGJHI-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCC[C@H](C)C[NH+](CC(=O)NC)CC(=O)NC ZINC000877838580 590432409 /nfs/dbraw/zinc/43/24/09/590432409.db2.gz KHFKTNJZQXYFFW-JTQLQIEISA-N 1 2 243.351 0.217 20 0 BCADLO CCCC[N@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC000877900045 590442501 /nfs/dbraw/zinc/44/25/01/590442501.db2.gz BJLOOLDBQBSTQL-UHFFFAOYSA-N 1 2 249.318 0.660 20 0 BCADLO CCCC[N@@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC000877900045 590442502 /nfs/dbraw/zinc/44/25/02/590442502.db2.gz BJLOOLDBQBSTQL-UHFFFAOYSA-N 1 2 249.318 0.660 20 0 BCADLO CC1(C)CC[C@H](C[N@@H+]2CCNC(=O)C2)OC1 ZINC000877906053 590444762 /nfs/dbraw/zinc/44/47/62/590444762.db2.gz GSBPZPMYZHUFBY-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)CC[C@H](C[N@H+]2CCNC(=O)C2)OC1 ZINC000877906053 590444765 /nfs/dbraw/zinc/44/47/65/590444765.db2.gz GSBPZPMYZHUFBY-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CCN1 ZINC000877905938 590444821 /nfs/dbraw/zinc/44/48/21/590444821.db2.gz GIOIANSOYCLAHB-JTQLQIEISA-N 1 2 224.304 0.377 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCN1 ZINC000877905938 590444824 /nfs/dbraw/zinc/44/48/24/590444824.db2.gz GIOIANSOYCLAHB-JTQLQIEISA-N 1 2 224.304 0.377 20 0 BCADLO Cc1cc(C[N@H+](C)CCn2cnnn2)no1 ZINC000877957124 590457375 /nfs/dbraw/zinc/45/73/75/590457375.db2.gz HJCGTHRJSLGWTI-UHFFFAOYSA-N 1 2 222.252 0.102 20 0 BCADLO Cc1cc(C[N@@H+](C)CCn2cnnn2)no1 ZINC000877957124 590457377 /nfs/dbraw/zinc/45/73/77/590457377.db2.gz HJCGTHRJSLGWTI-UHFFFAOYSA-N 1 2 222.252 0.102 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878039836 590477987 /nfs/dbraw/zinc/47/79/87/590477987.db2.gz DTEMYGFNOZDCCX-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878039836 590477989 /nfs/dbraw/zinc/47/79/89/590477989.db2.gz DTEMYGFNOZDCCX-QWRGUYRKSA-N 1 2 238.331 0.908 20 0 BCADLO CC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000878047960 590480888 /nfs/dbraw/zinc/48/08/88/590480888.db2.gz VWOVRPPRONXRGX-JTQLQIEISA-N 1 2 213.277 0.803 20 0 BCADLO CC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000878047960 590480890 /nfs/dbraw/zinc/48/08/90/590480890.db2.gz VWOVRPPRONXRGX-JTQLQIEISA-N 1 2 213.277 0.803 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)CC(C)(C)O ZINC000878047727 590480985 /nfs/dbraw/zinc/48/09/85/590480985.db2.gz STWIBTIYOLDUOT-SECBINFHSA-N 1 2 233.308 0.003 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)CC(C)(C)O ZINC000878047727 590480987 /nfs/dbraw/zinc/48/09/87/590480987.db2.gz STWIBTIYOLDUOT-SECBINFHSA-N 1 2 233.308 0.003 20 0 BCADLO O=C1CC[N@H+](Cc2nc3c(o2)CCCC3)CCN1 ZINC000878048818 590481535 /nfs/dbraw/zinc/48/15/35/590481535.db2.gz DWYSKCOEASHWPR-UHFFFAOYSA-N 1 2 249.314 0.875 20 0 BCADLO O=C1CC[N@@H+](Cc2nc3c(o2)CCCC3)CCN1 ZINC000878048818 590481537 /nfs/dbraw/zinc/48/15/37/590481537.db2.gz DWYSKCOEASHWPR-UHFFFAOYSA-N 1 2 249.314 0.875 20 0 BCADLO CCC[N@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000878055895 590485048 /nfs/dbraw/zinc/48/50/48/590485048.db2.gz QYFVVPKMYTYIDQ-UHFFFAOYSA-N 1 2 247.302 0.792 20 0 BCADLO CCC[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000878055895 590485051 /nfs/dbraw/zinc/48/50/51/590485051.db2.gz QYFVVPKMYTYIDQ-UHFFFAOYSA-N 1 2 247.302 0.792 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878149967 590506508 /nfs/dbraw/zinc/50/65/08/590506508.db2.gz BWFBOCQXKUNBOM-MRVPVSSYSA-N 1 2 233.275 0.402 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878149967 590506509 /nfs/dbraw/zinc/50/65/09/590506509.db2.gz BWFBOCQXKUNBOM-MRVPVSSYSA-N 1 2 233.275 0.402 20 0 BCADLO Cn1nnnc1CC[N@H+](C)Cc1nccs1 ZINC000878155807 590508665 /nfs/dbraw/zinc/50/86/65/590508665.db2.gz MCHZMDMIVUXXAJ-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO Cn1nnnc1CC[N@@H+](C)Cc1nccs1 ZINC000878155807 590508666 /nfs/dbraw/zinc/50/86/66/590508666.db2.gz MCHZMDMIVUXXAJ-UHFFFAOYSA-N 1 2 238.320 0.341 20 0 BCADLO CC(C)[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878190129 590520312 /nfs/dbraw/zinc/52/03/12/590520312.db2.gz DXIMCOCXFXARNZ-UHFFFAOYSA-N 1 2 221.264 0.258 20 0 BCADLO CC(C)[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878190129 590520313 /nfs/dbraw/zinc/52/03/13/590520313.db2.gz DXIMCOCXFXARNZ-UHFFFAOYSA-N 1 2 221.264 0.258 20 0 BCADLO CN(C)c1ccc(CNC(=O)COC2CC2)c[nH+]1 ZINC000878201179 590523940 /nfs/dbraw/zinc/52/39/40/590523940.db2.gz UOSYEOGFECAGGW-UHFFFAOYSA-N 1 2 249.314 0.943 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000878262049 590530941 /nfs/dbraw/zinc/53/09/41/590530941.db2.gz HLTXMBZWIIEHIQ-AXFHLTTASA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000878262049 590530944 /nfs/dbraw/zinc/53/09/44/590530944.db2.gz HLTXMBZWIIEHIQ-AXFHLTTASA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CCO[C@@H]1C ZINC000878262052 590530958 /nfs/dbraw/zinc/53/09/58/590530958.db2.gz HLTXMBZWIIEHIQ-VWYCJHECSA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CCO[C@@H]1C ZINC000878262052 590530960 /nfs/dbraw/zinc/53/09/60/590530960.db2.gz HLTXMBZWIIEHIQ-VWYCJHECSA-N 1 2 243.303 0.285 20 0 BCADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000878291462 590535016 /nfs/dbraw/zinc/53/50/16/590535016.db2.gz KGKKQQWPQCTREP-JTQLQIEISA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000878291462 590535019 /nfs/dbraw/zinc/53/50/19/590535019.db2.gz KGKKQQWPQCTREP-JTQLQIEISA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000878291462 590535022 /nfs/dbraw/zinc/53/50/22/590535022.db2.gz KGKKQQWPQCTREP-JTQLQIEISA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000878291462 590535025 /nfs/dbraw/zinc/53/50/25/590535025.db2.gz KGKKQQWPQCTREP-JTQLQIEISA-N 1 2 239.319 0.290 20 0 BCADLO Cn1ccn2c(C[N@@H+]3CC[C@H]4C[C@H]43)nnc2c1=O ZINC000878316698 590542924 /nfs/dbraw/zinc/54/29/24/590542924.db2.gz LYXVZZCZLDFFCX-DTWKUNHWSA-N 1 2 245.286 0.022 20 0 BCADLO Cn1ccn2c(C[N@H+]3CC[C@H]4C[C@H]43)nnc2c1=O ZINC000878316698 590542926 /nfs/dbraw/zinc/54/29/26/590542926.db2.gz LYXVZZCZLDFFCX-DTWKUNHWSA-N 1 2 245.286 0.022 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)CCN1C ZINC000878316669 590543032 /nfs/dbraw/zinc/54/30/32/590543032.db2.gz LDHNPTHLNOMWQC-NSHDSACASA-N 1 2 220.320 0.655 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)CCN1C ZINC000878316669 590543033 /nfs/dbraw/zinc/54/30/33/590543033.db2.gz LDHNPTHLNOMWQC-NSHDSACASA-N 1 2 220.320 0.655 20 0 BCADLO C[C@H]1C[N@H+](Cc2nccn2CC(F)F)C[C@@H]1O ZINC000878335727 590549712 /nfs/dbraw/zinc/54/97/12/590549712.db2.gz QHHVZLNGTOULOR-IUCAKERBSA-N 1 2 245.273 0.961 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nccn2CC(F)F)C[C@@H]1O ZINC000878335727 590549714 /nfs/dbraw/zinc/54/97/14/590549714.db2.gz QHHVZLNGTOULOR-IUCAKERBSA-N 1 2 245.273 0.961 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1nocc1C)C(C)C ZINC000878365522 590554996 /nfs/dbraw/zinc/55/49/96/590554996.db2.gz QGPJFGKSURVXEI-JTQLQIEISA-N 1 2 225.292 0.843 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000878540840 590589361 /nfs/dbraw/zinc/58/93/61/590589361.db2.gz CNUKYZTZEROSFB-MMWGEVLESA-N 1 2 245.294 0.997 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000878540840 590589362 /nfs/dbraw/zinc/58/93/62/590589362.db2.gz CNUKYZTZEROSFB-MMWGEVLESA-N 1 2 245.294 0.997 20 0 BCADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(C)=O ZINC000878619735 590597310 /nfs/dbraw/zinc/59/73/10/590597310.db2.gz OWPSMBNDMLGHGI-SNVBAGLBSA-N 1 2 228.292 0.786 20 0 BCADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(C)=O ZINC000878619735 590597311 /nfs/dbraw/zinc/59/73/11/590597311.db2.gz OWPSMBNDMLGHGI-SNVBAGLBSA-N 1 2 228.292 0.786 20 0 BCADLO OCc1nnn2c1C[N@H+](CCCC1CC1)CC2 ZINC000878635005 590598284 /nfs/dbraw/zinc/59/82/84/590598284.db2.gz GQRPMDDLNLDALE-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO OCc1nnn2c1C[N@@H+](CCCC1CC1)CC2 ZINC000878635005 590598285 /nfs/dbraw/zinc/59/82/85/590598285.db2.gz GQRPMDDLNLDALE-UHFFFAOYSA-N 1 2 236.319 0.776 20 0 BCADLO C=C/C=C\CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000878635274 590598366 /nfs/dbraw/zinc/59/83/66/590598366.db2.gz JMHIWDNRAFJPCU-ARJAWSKDSA-N 1 2 234.303 0.718 20 0 BCADLO C=C/C=C\CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000878635274 590598368 /nfs/dbraw/zinc/59/83/68/590598368.db2.gz JMHIWDNRAFJPCU-ARJAWSKDSA-N 1 2 234.303 0.718 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nocc1C ZINC000878689095 590609750 /nfs/dbraw/zinc/60/97/50/590609750.db2.gz ZWOPIBRNJVEETO-GHMZBOCLSA-N 1 2 226.276 0.877 20 0 BCADLO O=C1CC[N@H+](CCn2cnnn2)C2(CCC2)C1 ZINC000878715705 590614273 /nfs/dbraw/zinc/61/42/73/590614273.db2.gz CFLCZMHBCZAUKT-UHFFFAOYSA-N 1 2 235.291 0.261 20 0 BCADLO O=C1CC[N@@H+](CCn2cnnn2)C2(CCC2)C1 ZINC000878715705 590614275 /nfs/dbraw/zinc/61/42/75/590614275.db2.gz CFLCZMHBCZAUKT-UHFFFAOYSA-N 1 2 235.291 0.261 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000878725950 590616601 /nfs/dbraw/zinc/61/66/01/590616601.db2.gz CLZYNIRCYYCOQC-OCAPTIKFSA-N 1 2 227.264 0.632 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000878725950 590616602 /nfs/dbraw/zinc/61/66/02/590616602.db2.gz CLZYNIRCYYCOQC-OCAPTIKFSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CC2OCCO2)[C@@H](C)C(=O)N1C ZINC000878752392 590617998 /nfs/dbraw/zinc/61/79/98/590617998.db2.gz NTTDKEIKKJCFHF-BBBLOLIVSA-N 1 2 242.319 0.299 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CC2OCCO2)[C@@H](C)C(=O)N1C ZINC000878752392 590618001 /nfs/dbraw/zinc/61/80/01/590618001.db2.gz NTTDKEIKKJCFHF-BBBLOLIVSA-N 1 2 242.319 0.299 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nocc1C ZINC000878761603 590619467 /nfs/dbraw/zinc/61/94/67/590619467.db2.gz OUGMVOGBSOZGGJ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nocc1C ZINC000878761603 590619469 /nfs/dbraw/zinc/61/94/69/590619469.db2.gz OUGMVOGBSOZGGJ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000878791680 590623686 /nfs/dbraw/zinc/62/36/86/590623686.db2.gz DRPIKCJXHYXQQE-QMMMGPOBSA-N 1 2 200.669 0.703 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCC=C(Cl)C1 ZINC000878791680 590623687 /nfs/dbraw/zinc/62/36/87/590623687.db2.gz DRPIKCJXHYXQQE-QMMMGPOBSA-N 1 2 200.669 0.703 20 0 BCADLO CO[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)CCO1 ZINC000878965996 590657576 /nfs/dbraw/zinc/65/75/76/590657576.db2.gz BWPNGKFWMYLZIV-UWVGGRQHSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2=O)CCO1 ZINC000878965996 590657580 /nfs/dbraw/zinc/65/75/80/590657580.db2.gz BWPNGKFWMYLZIV-UWVGGRQHSA-N 1 2 229.276 0.244 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CCO1 ZINC000878969877 590663578 /nfs/dbraw/zinc/66/35/78/590663578.db2.gz FRONLCLOWRYUNM-NXEZZACHSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CCO1 ZINC000878969877 590663580 /nfs/dbraw/zinc/66/35/80/590663580.db2.gz FRONLCLOWRYUNM-NXEZZACHSA-N 1 2 231.292 0.443 20 0 BCADLO Cc1cc(NC(=O)N2CC=C[C@@H]2CO)cc[nH+]1 ZINC000879070737 590691526 /nfs/dbraw/zinc/69/15/26/590691526.db2.gz NUNRXWORLZSFBD-LLVKDONJSA-N 1 2 233.271 0.577 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](C)OC1=O ZINC000879072485 590692020 /nfs/dbraw/zinc/69/20/20/590692020.db2.gz BDBHVPAVENOWCE-WPRPVWTQSA-N 1 2 249.270 0.637 20 0 BCADLO COCc1ncc2c(n1)CC[N@@H+](CCC(C)=O)C2 ZINC000879107115 590697994 /nfs/dbraw/zinc/69/79/94/590697994.db2.gz SELUWHPYRWZSRN-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO COCc1ncc2c(n1)CC[N@H+](CCC(C)=O)C2 ZINC000879107115 590697997 /nfs/dbraw/zinc/69/79/97/590697997.db2.gz SELUWHPYRWZSRN-UHFFFAOYSA-N 1 2 249.314 0.960 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CC(OC)OC ZINC000127541165 590703623 /nfs/dbraw/zinc/70/36/23/590703623.db2.gz FTYRNHJQJMHITH-MRVPVSSYSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CC(OC)OC ZINC000127541165 590703625 /nfs/dbraw/zinc/70/36/25/590703625.db2.gz FTYRNHJQJMHITH-MRVPVSSYSA-N 1 2 217.265 0.243 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nnnn2C)C1 ZINC000879322810 590738232 /nfs/dbraw/zinc/73/82/32/590738232.db2.gz YBFAHGAELASAQA-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nnnn2C)C1 ZINC000879322810 590738236 /nfs/dbraw/zinc/73/82/36/590738236.db2.gz YBFAHGAELASAQA-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nnnn2C)C1 ZINC000879322809 590743198 /nfs/dbraw/zinc/74/31/98/590743198.db2.gz YBFAHGAELASAQA-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nnnn2C)C1 ZINC000879322809 590743202 /nfs/dbraw/zinc/74/32/02/590743202.db2.gz YBFAHGAELASAQA-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)C12CCC(CC1)[N@@H+]2CC[S@@](C)=O ZINC000879327691 590747343 /nfs/dbraw/zinc/74/73/43/590747343.db2.gz FGYNORVRHMGPOR-RPFRGFIWSA-N 1 2 245.344 0.535 20 0 BCADLO COC(=O)C12CCC(CC1)[N@H+]2CC[S@@](C)=O ZINC000879327691 590747344 /nfs/dbraw/zinc/74/73/44/590747344.db2.gz FGYNORVRHMGPOR-RPFRGFIWSA-N 1 2 245.344 0.535 20 0 BCADLO COC(=O)C12CCC(CC1)[N@@H+]2CC1OCCO1 ZINC000879328109 590747445 /nfs/dbraw/zinc/74/74/45/590747445.db2.gz IDGYCLUXVVTQSA-UHFFFAOYSA-N 1 2 241.287 0.529 20 0 BCADLO COC(=O)C12CCC(CC1)[N@H+]2CC1OCCO1 ZINC000879328109 590747446 /nfs/dbraw/zinc/74/74/46/590747446.db2.gz IDGYCLUXVVTQSA-UHFFFAOYSA-N 1 2 241.287 0.529 20 0 BCADLO NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498407 590783292 /nfs/dbraw/zinc/78/32/92/590783292.db2.gz TXZYCMDWLQIUKI-LLVKDONJSA-N 1 2 246.314 0.351 20 0 BCADLO NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498407 590783294 /nfs/dbraw/zinc/78/32/94/590783294.db2.gz TXZYCMDWLQIUKI-LLVKDONJSA-N 1 2 246.314 0.351 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)[nH]1 ZINC000879563380 590802829 /nfs/dbraw/zinc/80/28/29/590802829.db2.gz SJCQAXLNNYXSBA-SFYZADRCSA-N 1 2 240.332 0.695 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)[nH]1 ZINC000879563380 590802830 /nfs/dbraw/zinc/80/28/30/590802830.db2.gz SJCQAXLNNYXSBA-SFYZADRCSA-N 1 2 240.332 0.695 20 0 BCADLO C[N@@H+]1CC[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]21 ZINC000879581990 590822658 /nfs/dbraw/zinc/82/26/58/590822658.db2.gz PECXDFKJPWVXQS-DTWKUNHWSA-N 1 2 237.307 0.036 20 0 BCADLO C[N@H+]1CC[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]21 ZINC000879581990 590822660 /nfs/dbraw/zinc/82/26/60/590822660.db2.gz PECXDFKJPWVXQS-DTWKUNHWSA-N 1 2 237.307 0.036 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879618426 590833044 /nfs/dbraw/zinc/83/30/44/590833044.db2.gz YKTWJJPGICQTBY-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879618426 590833048 /nfs/dbraw/zinc/83/30/48/590833048.db2.gz YKTWJJPGICQTBY-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@H]12 ZINC000879721848 590854524 /nfs/dbraw/zinc/85/45/24/590854524.db2.gz JFQPHOWFHVGRMK-WMSLEYKJSA-N 1 2 244.722 0.718 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@H+](C/C=C/Cl)[C@H]12 ZINC000879721848 590854528 /nfs/dbraw/zinc/85/45/28/590854528.db2.gz JFQPHOWFHVGRMK-WMSLEYKJSA-N 1 2 244.722 0.718 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@@H]12 ZINC000879721845 590854737 /nfs/dbraw/zinc/85/47/37/590854737.db2.gz JFQPHOWFHVGRMK-AXBRGNRRSA-N 1 2 244.722 0.718 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@H+](C/C=C\Cl)[C@@H]12 ZINC000879721845 590854740 /nfs/dbraw/zinc/85/47/40/590854740.db2.gz JFQPHOWFHVGRMK-AXBRGNRRSA-N 1 2 244.722 0.718 20 0 BCADLO CC(C)OCC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879940560 590891289 /nfs/dbraw/zinc/89/12/89/590891289.db2.gz XSDDCONGPCTYDZ-MRXNPFEDSA-N 1 2 249.380 0.621 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCC(=O)NC ZINC000879982478 590904014 /nfs/dbraw/zinc/90/40/14/590904014.db2.gz GEYOKGWZDWUAFQ-JTQLQIEISA-N 1 2 242.319 0.444 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCC(=O)NC ZINC000879982479 590904110 /nfs/dbraw/zinc/90/41/10/590904110.db2.gz GEYOKGWZDWUAFQ-SNVBAGLBSA-N 1 2 242.319 0.444 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H](C(F)(F)F)O1 ZINC000880055484 590915525 /nfs/dbraw/zinc/91/55/25/590915525.db2.gz ZGNNTKBCORJQLB-RNFRBKRXSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H](C(F)(F)F)O1 ZINC000880055484 590915527 /nfs/dbraw/zinc/91/55/27/590915527.db2.gz ZGNNTKBCORJQLB-RNFRBKRXSA-N 1 2 240.225 0.513 20 0 BCADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136930 590939223 /nfs/dbraw/zinc/93/92/23/590939223.db2.gz VCNORUSEZFBNPL-RKDXNWHRSA-N 1 2 237.307 0.179 20 0 BCADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC000880136930 590939227 /nfs/dbraw/zinc/93/92/27/590939227.db2.gz VCNORUSEZFBNPL-RKDXNWHRSA-N 1 2 237.307 0.179 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000880149017 590945496 /nfs/dbraw/zinc/94/54/96/590945496.db2.gz SDSODQPYUPSXKC-SECBINFHSA-N 1 2 224.308 0.440 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000880149017 590945497 /nfs/dbraw/zinc/94/54/97/590945497.db2.gz SDSODQPYUPSXKC-SECBINFHSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CC(=O)NCC12COC2 ZINC000880163349 590948068 /nfs/dbraw/zinc/94/80/68/590948068.db2.gz JDIKSURGVAFOHF-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO CC[C@@H](C)C[N@H+]1CC(=O)NCC12COC2 ZINC000880163349 590948069 /nfs/dbraw/zinc/94/80/69/590948069.db2.gz JDIKSURGVAFOHF-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO COCC1([N@H+](C)Cc2nncn2C)CCC1 ZINC000880185727 590953325 /nfs/dbraw/zinc/95/33/25/590953325.db2.gz AJQOBTOUPYCAMO-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO COCC1([N@@H+](C)Cc2nncn2C)CCC1 ZINC000880185727 590953329 /nfs/dbraw/zinc/95/33/29/590953329.db2.gz AJQOBTOUPYCAMO-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880236224 590966732 /nfs/dbraw/zinc/96/67/32/590966732.db2.gz XZWZAJMYOKUKTG-ZETCQYMHSA-N 1 2 240.286 0.218 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880236224 590966736 /nfs/dbraw/zinc/96/67/36/590966736.db2.gz XZWZAJMYOKUKTG-ZETCQYMHSA-N 1 2 240.286 0.218 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(F)CC2)nc1=O ZINC000880239681 590973124 /nfs/dbraw/zinc/97/31/24/590973124.db2.gz CERAZOIHPFLYPR-UHFFFAOYSA-N 1 2 214.244 0.042 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@H+](CC(N)=O)C1 ZINC000880305594 590998745 /nfs/dbraw/zinc/99/87/45/590998745.db2.gz XQVTZPXEFKWHDO-SSDOTTSWSA-N 1 2 226.198 0.125 20 0 BCADLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(N)=O)C1 ZINC000880305594 590998747 /nfs/dbraw/zinc/99/87/47/590998747.db2.gz XQVTZPXEFKWHDO-SSDOTTSWSA-N 1 2 226.198 0.125 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCSC)C1CCOCC1 ZINC000880335439 591006919 /nfs/dbraw/zinc/00/69/19/591006919.db2.gz YEDWDEPUZDIHMQ-JTQLQIEISA-N 1 2 247.360 0.907 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880335777 591007012 /nfs/dbraw/zinc/00/70/12/591007012.db2.gz MCTBDKGADCETAT-GHMZBOCLSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C1CCOCC1 ZINC000880339742 591007734 /nfs/dbraw/zinc/00/77/34/591007734.db2.gz DJECWGRHMVSAIF-KOLCDFICSA-N 1 2 245.319 0.315 20 0 BCADLO CNC(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880364548 591010103 /nfs/dbraw/zinc/01/01/03/591010103.db2.gz HDEUWNZKMYNZPR-UHFFFAOYSA-N 1 2 220.276 0.191 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000880419100 591027105 /nfs/dbraw/zinc/02/71/05/591027105.db2.gz HMCAVCULMCXDEA-MWLCHTKSSA-N 1 2 222.292 0.426 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000880419100 591027109 /nfs/dbraw/zinc/02/71/09/591027109.db2.gz HMCAVCULMCXDEA-MWLCHTKSSA-N 1 2 222.292 0.426 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1noc(C)n1 ZINC000880426330 591033022 /nfs/dbraw/zinc/03/30/22/591033022.db2.gz SQRQSOMKIRAXMC-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1noc(C)n1 ZINC000880426330 591033027 /nfs/dbraw/zinc/03/30/27/591033027.db2.gz SQRQSOMKIRAXMC-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ncnn1C ZINC000880427097 591033539 /nfs/dbraw/zinc/03/35/39/591033539.db2.gz BDTQJJIVTWUKRZ-VHSXEESVSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ncnn1C ZINC000880427097 591033544 /nfs/dbraw/zinc/03/35/44/591033544.db2.gz BDTQJJIVTWUKRZ-VHSXEESVSA-N 1 2 240.307 0.051 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880483479 591056625 /nfs/dbraw/zinc/05/66/25/591056625.db2.gz GYVKRJRXLCADNQ-SECBINFHSA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1CC=C[C@@H]1CO ZINC000880483479 591056629 /nfs/dbraw/zinc/05/66/29/591056629.db2.gz GYVKRJRXLCADNQ-SECBINFHSA-N 1 2 237.255 0.799 20 0 BCADLO O=C(C[N@H+]1CC=C[C@@H]1CO)Nc1ccccc1 ZINC000880485767 591060360 /nfs/dbraw/zinc/06/03/60/591060360.db2.gz KWKLTUKXWDMFFF-GFCCVEGCSA-N 1 2 232.283 0.858 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)Nc1ccccc1 ZINC000880485767 591060362 /nfs/dbraw/zinc/06/03/62/591060362.db2.gz KWKLTUKXWDMFFF-GFCCVEGCSA-N 1 2 232.283 0.858 20 0 BCADLO O=C(C[N@H+]1CC=C[C@H]1CO)Nc1ccc(O)cc1 ZINC000880487354 591062370 /nfs/dbraw/zinc/06/23/70/591062370.db2.gz YMWQEQIDQAJSLL-NSHDSACASA-N 1 2 248.282 0.563 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@H]1CO)Nc1ccc(O)cc1 ZINC000880487354 591062376 /nfs/dbraw/zinc/06/23/76/591062376.db2.gz YMWQEQIDQAJSLL-NSHDSACASA-N 1 2 248.282 0.563 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880488366 591064656 /nfs/dbraw/zinc/06/46/56/591064656.db2.gz CZUQRRCOWFNWDE-JTQLQIEISA-N 1 2 235.287 0.477 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880488366 591064660 /nfs/dbraw/zinc/06/46/60/591064660.db2.gz CZUQRRCOWFNWDE-JTQLQIEISA-N 1 2 235.287 0.477 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1ccc(F)cn1 ZINC000880489465 591065289 /nfs/dbraw/zinc/06/52/89/591065289.db2.gz UESXUOGFAGHLEF-LLVKDONJSA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1ccc(F)cn1 ZINC000880489465 591065293 /nfs/dbraw/zinc/06/52/93/591065293.db2.gz UESXUOGFAGHLEF-LLVKDONJSA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1ccncc1F ZINC000880493143 591072078 /nfs/dbraw/zinc/07/20/78/591072078.db2.gz YZHKLOFYGVILRR-SNVBAGLBSA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1ccncc1F ZINC000880493143 591072082 /nfs/dbraw/zinc/07/20/82/591072082.db2.gz YZHKLOFYGVILRR-SNVBAGLBSA-N 1 2 208.236 0.953 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cscn2)C1 ZINC000880558442 591091561 /nfs/dbraw/zinc/09/15/61/591091561.db2.gz SJIFKDUZHJSHAE-SNVBAGLBSA-N 1 2 242.300 0.253 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cscn2)C1 ZINC000880558442 591091566 /nfs/dbraw/zinc/09/15/66/591091566.db2.gz SJIFKDUZHJSHAE-SNVBAGLBSA-N 1 2 242.300 0.253 20 0 BCADLO CON(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000880647140 591117793 /nfs/dbraw/zinc/11/77/93/591117793.db2.gz MOAYMBCEUFOZJP-VIFPVBQESA-N 1 2 240.307 0.198 20 0 BCADLO CON(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000880647140 591117791 /nfs/dbraw/zinc/11/77/91/591117791.db2.gz MOAYMBCEUFOZJP-VIFPVBQESA-N 1 2 240.307 0.198 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CSC1 ZINC000880727360 591128868 /nfs/dbraw/zinc/12/88/68/591128868.db2.gz LICBVHIYWOVMRS-RKDXNWHRSA-N 1 2 237.328 0.755 20 0 BCADLO Cn1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c32)nn1 ZINC000881211622 591172536 /nfs/dbraw/zinc/17/25/36/591172536.db2.gz DNIHXMCVUFHLAS-SSDOTTSWSA-N 1 2 247.262 0.278 20 0 BCADLO Cl/C=C/Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000881427171 591203821 /nfs/dbraw/zinc/20/38/21/591203821.db2.gz FACQDUZWROQERH-VWCDRPFISA-N 1 2 228.683 0.692 20 0 BCADLO Cl/C=C/Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000881427168 591203958 /nfs/dbraw/zinc/20/39/58/591203958.db2.gz FACQDUZWROQERH-GPYPMJJRSA-N 1 2 228.683 0.692 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(C/C=C/Cl)nn1 ZINC000881427510 591204545 /nfs/dbraw/zinc/20/45/45/591204545.db2.gz MYHAZPFTJTUDLL-SGJFDWMWSA-N 1 2 244.682 0.073 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000881480379 591209328 /nfs/dbraw/zinc/20/93/28/591209328.db2.gz SILPXJKPFJSEAM-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C ZINC000881481789 591211781 /nfs/dbraw/zinc/21/17/81/591211781.db2.gz JMRJPCOTPNTFPG-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C ZINC000881481789 591211784 /nfs/dbraw/zinc/21/17/84/591211784.db2.gz JMRJPCOTPNTFPG-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881672044 591263344 /nfs/dbraw/zinc/26/33/44/591263344.db2.gz RYIDFJDMKRCGJP-MNOVXSKESA-N 1 2 244.310 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881672044 591263345 /nfs/dbraw/zinc/26/33/45/591263345.db2.gz RYIDFJDMKRCGJP-MNOVXSKESA-N 1 2 244.310 0.525 20 0 BCADLO Cc1[nH+]cnc(N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000881765264 591269379 /nfs/dbraw/zinc/26/93/79/591269379.db2.gz YEFHNMNGRQGXDJ-SECBINFHSA-N 1 2 241.316 0.692 20 0 BCADLO Cc1[nH+]cnc(NCC(=O)N(C)C)c1C ZINC000881771823 591270539 /nfs/dbraw/zinc/27/05/39/591270539.db2.gz QBQGGVUPDXVKDX-UHFFFAOYSA-N 1 2 208.265 0.594 20 0 BCADLO Cc1[nH+]cnc(NCCNS(C)(=O)=O)c1C ZINC000881789044 591271231 /nfs/dbraw/zinc/27/12/31/591271231.db2.gz PEFLVPHNVGRJIF-UHFFFAOYSA-N 1 2 244.320 0.055 20 0 BCADLO CNC(=O)CCNc1nc[nH+]c(C)c1C ZINC000881826931 591273923 /nfs/dbraw/zinc/27/39/23/591273923.db2.gz WMUMEYWIDRIBNY-UHFFFAOYSA-N 1 2 208.265 0.641 20 0 BCADLO O=C1NCCCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000881838227 591273927 /nfs/dbraw/zinc/27/39/27/591273927.db2.gz KEKZCEIPOOZRBL-JTQLQIEISA-N 1 2 235.287 0.655 20 0 BCADLO O=C1CN(c2cc[nH+]cc2F)CCCN1 ZINC000881906912 591277401 /nfs/dbraw/zinc/27/74/01/591277401.db2.gz FTIAYWLEPMNRAF-UHFFFAOYSA-N 1 2 209.224 0.547 20 0 BCADLO Cc1[nH+]cnc(N2CCS(=O)(=O)CC2)c1C ZINC000881911174 591277716 /nfs/dbraw/zinc/27/77/16/591277716.db2.gz LMHBWDLGSYEDRP-UHFFFAOYSA-N 1 2 241.316 0.328 20 0 BCADLO O=C1OCCN1CCCNc1cc[nH+]cc1F ZINC000881914645 591277915 /nfs/dbraw/zinc/27/79/15/591277915.db2.gz RVBIGLJQDBOANQ-UHFFFAOYSA-N 1 2 239.250 0.897 20 0 BCADLO Cn1cc([C@@H](O)CNc2cc[nH+]cc2F)cn1 ZINC000882018955 591288434 /nfs/dbraw/zinc/28/84/34/591288434.db2.gz INYABQXCSSCUGG-NSHDSACASA-N 1 2 236.250 0.522 20 0 BCADLO CCc1nnc(SCc2cn(C)c[nH+]2)n1N ZINC000882134766 591304369 /nfs/dbraw/zinc/30/43/69/591304369.db2.gz RPPBDLDTKWGBQP-UHFFFAOYSA-N 1 2 238.320 0.580 20 0 BCADLO OCC[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000882210980 591316820 /nfs/dbraw/zinc/31/68/20/591316820.db2.gz OSJPLSJSDYBGFU-LLVKDONJSA-N 1 2 222.288 0.925 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)C1CCC1 ZINC000882232351 591318625 /nfs/dbraw/zinc/31/86/25/591318625.db2.gz NDKAEIKAVYQRTP-UHFFFAOYSA-N 1 2 243.332 0.875 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1C[C@H]2C[C@@]2(O)C1 ZINC000882340222 591334044 /nfs/dbraw/zinc/33/40/44/591334044.db2.gz QSZQOBGAIZAKQW-NOZJJQNGSA-N 1 2 243.266 0.541 20 0 BCADLO Cc1[nH+]cnc(NCC(C)(CO)CO)c1C ZINC000882399377 591342844 /nfs/dbraw/zinc/34/28/44/591342844.db2.gz CWTZVEZWMBMXFK-UHFFFAOYSA-N 1 2 225.292 0.496 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@](O)(C(F)F)C2)c1 ZINC000882416446 591345204 /nfs/dbraw/zinc/34/52/04/591345204.db2.gz UDSLNLFSIMJDNZ-LLVKDONJSA-N 1 2 244.241 0.780 20 0 BCADLO CON(C)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000882472300 591348619 /nfs/dbraw/zinc/34/86/19/591348619.db2.gz DGYURJCGQZEOLW-UHFFFAOYSA-N 1 2 225.248 0.006 20 0 BCADLO Cc1[nH+]cnc(N2CC3(C2)CNC(=O)O3)c1C ZINC000882473348 591354455 /nfs/dbraw/zinc/35/44/55/591354455.db2.gz RQCXASZBDPACMA-UHFFFAOYSA-N 1 2 234.259 0.392 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC000882479816 591357417 /nfs/dbraw/zinc/35/74/17/591357417.db2.gz GSGCDUUVEFKGKT-MRVPVSSYSA-N 1 2 240.332 0.671 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC000882479816 591357413 /nfs/dbraw/zinc/35/74/13/591357413.db2.gz GSGCDUUVEFKGKT-MRVPVSSYSA-N 1 2 240.332 0.671 20 0 BCADLO Cc1[nH+]cnc(N(C)C[C@H]2COCCO2)c1C ZINC000882616768 591400368 /nfs/dbraw/zinc/40/03/68/591400368.db2.gz LEAQPEHYQHSLOY-NSHDSACASA-N 1 2 237.303 0.945 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccco1 ZINC000882764888 591432561 /nfs/dbraw/zinc/43/25/61/591432561.db2.gz IQUSYYXRDJKBHA-SECBINFHSA-N 1 2 244.316 0.652 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccco1 ZINC000882764888 591432563 /nfs/dbraw/zinc/43/25/63/591432563.db2.gz IQUSYYXRDJKBHA-SECBINFHSA-N 1 2 244.316 0.652 20 0 BCADLO CC[C@H](O)CN1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000130239151 591448989 /nfs/dbraw/zinc/44/89/89/591448989.db2.gz WLPATURYWLSALQ-XQQFMLRXSA-N 1 2 244.379 0.798 20 0 BCADLO CC[C@H](O)CN1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000130239151 591448990 /nfs/dbraw/zinc/44/89/90/591448990.db2.gz WLPATURYWLSALQ-XQQFMLRXSA-N 1 2 244.379 0.798 20 0 BCADLO C[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C)[nH+]c1 ZINC000213267006 591457273 /nfs/dbraw/zinc/45/72/73/591457273.db2.gz VFBLNWZJMDACNX-RKDXNWHRSA-N 1 2 235.287 0.460 20 0 BCADLO C[C@H](O)c1ccc(N(C)CC(=O)NC2CC2)[nH+]c1 ZINC000213279582 591458393 /nfs/dbraw/zinc/45/83/93/591458393.db2.gz YNSQRXZCPZYKSA-VIFPVBQESA-N 1 2 249.314 0.850 20 0 BCADLO CCc1nc(C)c(CO[NH+]=C(N)CO)o1 ZINC000883012410 591512642 /nfs/dbraw/zinc/51/26/42/591512642.db2.gz FEEFTGLNKPQHOX-UHFFFAOYSA-N 1 2 213.237 0.536 20 0 BCADLO NC(CO)=[NH+]OC[C@@H]1CCC(F)(F)C1 ZINC000883012340 591513318 /nfs/dbraw/zinc/51/33/18/591513318.db2.gz CASBLYGDDHJJFD-ZCFIWIBFSA-N 1 2 208.208 0.913 20 0 BCADLO NC(CO)=[NH+]OCC[C@@H](O)c1ccccc1 ZINC000883012479 591505988 /nfs/dbraw/zinc/50/59/88/591505988.db2.gz HYDIJWCPBNFWRO-SNVBAGLBSA-N 1 2 224.260 0.601 20 0 BCADLO NC(CO)=[NH+]OCC(=O)NC1CCCCCC1 ZINC000883009348 591510005 /nfs/dbraw/zinc/51/00/05/591510005.db2.gz FFECOCWXYWZFPG-UHFFFAOYSA-N 1 2 243.307 0.316 20 0 BCADLO Cc1ccccc1OCCO[NH+]=C(N)CO ZINC000883009626 591510092 /nfs/dbraw/zinc/51/00/92/591510092.db2.gz NUABNRWXVWLQJV-UHFFFAOYSA-N 1 2 224.260 0.865 20 0 BCADLO NC(CO)=[NH+]OCCCOCC(F)(F)F ZINC000883011494 591510580 /nfs/dbraw/zinc/51/05/80/591510580.db2.gz XHLVFPJGHZTCBH-UHFFFAOYSA-N 1 2 230.186 0.446 20 0 BCADLO COCc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883011753 591510810 /nfs/dbraw/zinc/51/08/10/591510810.db2.gz IDBFGMOCDDLWTB-UHFFFAOYSA-N 1 2 224.260 0.824 20 0 BCADLO CNC(=O)c1cccc(CO[NH+]=C(N)CO)c1 ZINC000883011282 591510861 /nfs/dbraw/zinc/51/08/61/591510861.db2.gz PZBCCVRKEMOLSS-UHFFFAOYSA-N 1 2 237.259 0.037 20 0 BCADLO CC(=O)Nc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883011371 591510930 /nfs/dbraw/zinc/51/09/30/591510930.db2.gz SIACZYVLWSZPPO-UHFFFAOYSA-N 1 2 237.259 0.636 20 0 BCADLO CC(C)CCNC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883010950 591511585 /nfs/dbraw/zinc/51/15/85/591511585.db2.gz FZWAWKHEDZNUBX-MRVPVSSYSA-N 1 2 231.296 0.028 20 0 BCADLO C[C@@H](O[NH+]=C(N)CO)C(=O)N1CCC(C)CC1 ZINC000883010103 591511598 /nfs/dbraw/zinc/51/15/98/591511598.db2.gz FFBCCUHZVLXFAZ-SECBINFHSA-N 1 2 243.307 0.124 20 0 BCADLO NC(CO)=[NH+]OCC[C@H]1CCCCO1 ZINC000883012218 591512134 /nfs/dbraw/zinc/51/21/34/591512134.db2.gz XVZJEPVMWRJIBI-MRVPVSSYSA-N 1 2 202.254 0.436 20 0 BCADLO NC(CO)=[NH+]OCCc1ccccc1F ZINC000883012338 591512237 /nfs/dbraw/zinc/51/22/37/591512237.db2.gz BYWFIMITQIJDQQ-UHFFFAOYSA-N 1 2 212.224 0.859 20 0 BCADLO Cc1nc(CO[NH+]=C(N)CO)sc1C ZINC000883012232 591512676 /nfs/dbraw/zinc/51/26/76/591512676.db2.gz YEAZAEOVVVFNTC-UHFFFAOYSA-N 1 2 215.278 0.751 20 0 BCADLO Cc1ncsc1CO[NH+]=C(N)CO ZINC000883012356 591512884 /nfs/dbraw/zinc/51/28/84/591512884.db2.gz CHILKFOZIJGVCE-UHFFFAOYSA-N 1 2 201.251 0.442 20 0 BCADLO CCO[C@H](CO[NH+]=C(N)CO)C1CC1 ZINC000883013075 591513716 /nfs/dbraw/zinc/51/37/16/591513716.db2.gz DDWJNLGVVSXLIS-MRVPVSSYSA-N 1 2 202.254 0.292 20 0 BCADLO Cc1nc(N2CCC[C@@H]3CCNC(=O)[C@H]32)cc[nH+]1 ZINC000883022042 591517734 /nfs/dbraw/zinc/51/77/34/591517734.db2.gz MBFHGNVDRZLOAI-PWSUYJOCSA-N 1 2 246.314 0.890 20 0 BCADLO Cc1cc(N2CCC[C@H]3CCNC(=O)[C@@H]32)nc[nH+]1 ZINC000883022269 591517959 /nfs/dbraw/zinc/51/79/59/591517959.db2.gz RCIKMQHTXDJNCU-CMPLNLGQSA-N 1 2 246.314 0.890 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)no1 ZINC000883027493 591519196 /nfs/dbraw/zinc/51/91/96/591519196.db2.gz DKYWWCUHHOAYCK-JTQLQIEISA-N 1 2 235.287 0.836 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)no1 ZINC000883027494 591519473 /nfs/dbraw/zinc/51/94/73/591519473.db2.gz DKYWWCUHHOAYCK-SNVBAGLBSA-N 1 2 235.287 0.836 20 0 BCADLO Cn1c[nH+]cc1CCn1c(=O)cccc1CO ZINC000883052142 591529116 /nfs/dbraw/zinc/52/91/16/591529116.db2.gz ASZLBZCRYOLKMR-UHFFFAOYSA-N 1 2 233.271 0.317 20 0 BCADLO Cc1cc(C[NH2+][C@H](C)C(=O)NCCF)no1 ZINC000883112711 591541813 /nfs/dbraw/zinc/54/18/13/591541813.db2.gz VEYAUOLNBJRWPI-MRVPVSSYSA-N 1 2 229.255 0.547 20 0 BCADLO CON(C)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000883171173 591560830 /nfs/dbraw/zinc/56/08/30/591560830.db2.gz PTWRGMNMZGWILP-UHFFFAOYSA-N 1 2 242.327 0.011 20 0 BCADLO CC(C)(F)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131293932 591585751 /nfs/dbraw/zinc/58/57/51/591585751.db2.gz NFZOBBPGZXPOSS-UHFFFAOYSA-N 1 2 246.326 0.962 20 0 BCADLO CCCNc1cc(N[C@H]2CCCNC2=O)nc[nH+]1 ZINC000132469787 591711105 /nfs/dbraw/zinc/71/11/05/591711105.db2.gz YLZPACUZMBXQED-VIFPVBQESA-N 1 2 249.318 0.989 20 0 BCADLO CCCNc1cc(N[C@H]2CCCNC2=O)[nH+]cn1 ZINC000132469787 591711108 /nfs/dbraw/zinc/71/11/08/591711108.db2.gz YLZPACUZMBXQED-VIFPVBQESA-N 1 2 249.318 0.989 20 0 BCADLO COC[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000883670660 591716119 /nfs/dbraw/zinc/71/61/19/591716119.db2.gz OVGBFRVFISGOOY-IUCAKERBSA-N 1 2 238.291 0.662 20 0 BCADLO CC(C)(O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000132685192 591730639 /nfs/dbraw/zinc/73/06/39/591730639.db2.gz QCZCSIVFQYQSMX-UHFFFAOYSA-N 1 2 235.291 0.792 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000889334227 591773608 /nfs/dbraw/zinc/77/36/08/591773608.db2.gz LVUMXBUOCBVZFM-MNOVXSKESA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000889334227 591773610 /nfs/dbraw/zinc/77/36/10/591773610.db2.gz LVUMXBUOCBVZFM-MNOVXSKESA-N 1 2 237.303 0.978 20 0 BCADLO CC(C)C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133349832 591787979 /nfs/dbraw/zinc/78/79/79/591787979.db2.gz MLVTWSKYSHXNNZ-NSHDSACASA-N 1 2 238.335 0.907 20 0 BCADLO CC(C)C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133349832 591787980 /nfs/dbraw/zinc/78/79/80/591787980.db2.gz MLVTWSKYSHXNNZ-NSHDSACASA-N 1 2 238.335 0.907 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CCOC2)nn1 ZINC000884001630 591791666 /nfs/dbraw/zinc/79/16/66/591791666.db2.gz WJWZTEGLZZQBDI-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CCOC2)nn1 ZINC000884001630 591791667 /nfs/dbraw/zinc/79/16/67/591791667.db2.gz WJWZTEGLZZQBDI-JTQLQIEISA-N 1 2 210.281 0.519 20 0 BCADLO CCn1cc(C[N@H+](C)CC[C@H](C)O)nn1 ZINC000884002347 591791841 /nfs/dbraw/zinc/79/18/41/591791841.db2.gz CHEHZGAZXKBZPX-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1cc(C[N@@H+](C)CC[C@H](C)O)nn1 ZINC000884002347 591791843 /nfs/dbraw/zinc/79/18/43/591791843.db2.gz CHEHZGAZXKBZPX-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CCCO2)CCO1 ZINC000800108892 591823357 /nfs/dbraw/zinc/82/33/57/591823357.db2.gz HNGUIVMIQCFACU-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CCCO2)CCO1 ZINC000800108892 591823361 /nfs/dbraw/zinc/82/33/61/591823361.db2.gz HNGUIVMIQCFACU-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CCCO2)CCO1 ZINC000800108895 591823858 /nfs/dbraw/zinc/82/38/58/591823858.db2.gz HNGUIVMIQCFACU-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CCCO2)CCO1 ZINC000800108895 591823861 /nfs/dbraw/zinc/82/38/61/591823861.db2.gz HNGUIVMIQCFACU-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CCc1nc(NC[C@@]2(O)CCO[C@H]2C)cc[nH+]1 ZINC000884491429 591955486 /nfs/dbraw/zinc/95/54/86/591955486.db2.gz VKHKEPTUAGBURP-CABZTGNLSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(NCCN(C)OC)cc[nH+]1 ZINC000884551238 591976187 /nfs/dbraw/zinc/97/61/87/591976187.db2.gz WAEXPNCNRSPCGD-UHFFFAOYSA-N 1 2 210.281 0.944 20 0 BCADLO CCc1nc(N2CC[C@](F)(CO)C2)cc[nH+]1 ZINC000884500205 591957607 /nfs/dbraw/zinc/95/76/07/591957607.db2.gz ZMFMXKQRIOHBOL-LLVKDONJSA-N 1 2 225.267 0.950 20 0 BCADLO CCc1nc(NC[C@H]2CCN(C(N)=O)C2)cc[nH+]1 ZINC000884506452 591960280 /nfs/dbraw/zinc/96/02/80/591960280.db2.gz DPOAYZZTTHNMFG-SECBINFHSA-N 1 2 249.318 0.852 20 0 BCADLO CCC[C@H](O)[C@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884529635 591967646 /nfs/dbraw/zinc/96/76/46/591967646.db2.gz SJLMQLGRKZGWGV-UWVGGRQHSA-N 1 2 239.319 0.973 20 0 BCADLO CCc1nc(N[C@@H](CO)c2ccnn2C)cc[nH+]1 ZINC000884528631 591967682 /nfs/dbraw/zinc/96/76/82/591967682.db2.gz VCEWMWZMWFQMFL-VIFPVBQESA-N 1 2 247.302 0.918 20 0 BCADLO CCc1nc(NC[C@H](O)Cn2ccnn2)cc[nH+]1 ZINC000884528736 591967759 /nfs/dbraw/zinc/96/77/59/591967759.db2.gz XPLVKPXNLABRLO-VIFPVBQESA-N 1 2 248.290 0.104 20 0 BCADLO CCc1nc(NC[C@@H]2COCO2)cc[nH+]1 ZINC000884529022 591967820 /nfs/dbraw/zinc/96/78/20/591967820.db2.gz CYLSCNISMMMIIU-MRVPVSSYSA-N 1 2 209.249 0.824 20 0 BCADLO CCc1nc(N2CC[C@@H](C(=O)NC)C2)cc[nH+]1 ZINC000884533997 591969868 /nfs/dbraw/zinc/96/98/68/591969868.db2.gz VYJRDIMJSOQBIB-SECBINFHSA-N 1 2 234.303 0.611 20 0 BCADLO CCc1nc(N2CC[C@H](O)[C@H](CO)C2)cc[nH+]1 ZINC000884532564 591969993 /nfs/dbraw/zinc/96/99/93/591969993.db2.gz MDPNLCMULBLYDD-UWVGGRQHSA-N 1 2 237.303 0.219 20 0 BCADLO CCc1nc(NCCn2cnccc2=O)cc[nH+]1 ZINC000884544025 591973356 /nfs/dbraw/zinc/97/33/56/591973356.db2.gz UMBMKTQHHBHLAU-UHFFFAOYSA-N 1 2 245.286 0.708 20 0 BCADLO CCc1nc(NCCn2cnnn2)cc[nH+]1 ZINC000884543351 591973706 /nfs/dbraw/zinc/97/37/06/591973706.db2.gz BPRLPYLFJSDUSW-UHFFFAOYSA-N 1 2 219.252 0.138 20 0 BCADLO CCc1nc(N(C)CCNC(C)=O)cc[nH+]1 ZINC000884542923 591973765 /nfs/dbraw/zinc/97/37/65/591973765.db2.gz PZOQSPBPFOMMEX-UHFFFAOYSA-N 1 2 222.292 0.611 20 0 BCADLO CCc1nc(NCCCc2c[nH][nH]c2=O)cc[nH+]1 ZINC000884557735 591978106 /nfs/dbraw/zinc/97/81/06/591978106.db2.gz YABODGKGNKZWHK-SECBINFHSA-N 1 2 247.302 0.963 20 0 BCADLO CCc1nc(N(C)C[C@@H]2COCCO2)cc[nH+]1 ZINC000884556516 591978511 /nfs/dbraw/zinc/97/85/11/591978511.db2.gz SJEFAFGIJPCQPQ-SNVBAGLBSA-N 1 2 237.303 0.891 20 0 BCADLO CCc1nc(N2CCC(CO)(CO)C2)cc[nH+]1 ZINC000884558863 591979360 /nfs/dbraw/zinc/97/93/60/591979360.db2.gz GOFJQCRCQZZZQM-UHFFFAOYSA-N 1 2 237.303 0.220 20 0 BCADLO O[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)CC[C@@H]1O ZINC000884625932 591996392 /nfs/dbraw/zinc/99/63/92/591996392.db2.gz WFCCSOBZBNNNAE-ZSPDNNCOSA-N 1 2 240.278 0.719 20 0 BCADLO C[C@@H](NC(=O)C1=COCCO1)c1[nH]cc[nH+]1 ZINC000135389070 592011162 /nfs/dbraw/zinc/01/11/62/592011162.db2.gz UXIQRYQKBLWVGW-SSDOTTSWSA-N 1 2 223.232 0.475 20 0 BCADLO COc1ccc[nH+]c1NCCN1CCNC1=O ZINC000884691300 592011446 /nfs/dbraw/zinc/01/14/46/592011446.db2.gz DAKHIJARDNGGJS-UHFFFAOYSA-N 1 2 236.275 0.527 20 0 BCADLO O=C1NCCN1CCNc1cc[nH+]cc1F ZINC000884691533 592011733 /nfs/dbraw/zinc/01/17/33/592011733.db2.gz KFFNCMKMKBWQOT-UHFFFAOYSA-N 1 2 224.239 0.080 20 0 BCADLO COCCOC(=O)NCCn1cc[nH+]c1 ZINC000884885124 592027172 /nfs/dbraw/zinc/02/71/72/592027172.db2.gz SYPURKYILFJZHT-UHFFFAOYSA-N 1 2 213.237 0.256 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000135733116 592042728 /nfs/dbraw/zinc/04/27/28/592042728.db2.gz MQRFVVVHYHYQJN-KOLCDFICSA-N 1 2 213.277 0.803 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000135733116 592042729 /nfs/dbraw/zinc/04/27/29/592042729.db2.gz MQRFVVVHYHYQJN-KOLCDFICSA-N 1 2 213.277 0.803 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885080273 592048310 /nfs/dbraw/zinc/04/83/10/592048310.db2.gz NPHWEFAWXBHCMS-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO COCCOC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000885098843 592052495 /nfs/dbraw/zinc/05/24/95/592052495.db2.gz YJFPPIPDQBTICB-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO COCCOC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000885212065 592057980 /nfs/dbraw/zinc/05/79/80/592057980.db2.gz GUBUXFMAFUMSAC-MRVPVSSYSA-N 1 2 225.248 0.701 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000890240270 592078523 /nfs/dbraw/zinc/07/85/23/592078523.db2.gz CSMPAAOPUNTMGJ-SDDRHHMPSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000890240270 592078526 /nfs/dbraw/zinc/07/85/26/592078526.db2.gz CSMPAAOPUNTMGJ-SDDRHHMPSA-N 1 2 238.331 0.718 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000886181552 592170665 /nfs/dbraw/zinc/17/06/65/592170665.db2.gz OBLBTBWQQORNBI-GXSJLCMTSA-N 1 2 235.274 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000886181552 592170668 /nfs/dbraw/zinc/17/06/68/592170668.db2.gz OBLBTBWQQORNBI-GXSJLCMTSA-N 1 2 235.274 0.972 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000886316343 592206873 /nfs/dbraw/zinc/20/68/73/592206873.db2.gz YVXORXZDMRMAOH-SFYZADRCSA-N 1 2 237.259 0.400 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2CCO[C@@H]2C)n1 ZINC000886326604 592209047 /nfs/dbraw/zinc/20/90/47/592209047.db2.gz OICRRRGEUAHYGD-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@H]2CCO[C@@H]2C)[nH]1 ZINC000886326604 592209049 /nfs/dbraw/zinc/20/90/49/592209049.db2.gz OICRRRGEUAHYGD-SFYZADRCSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886346831 592213493 /nfs/dbraw/zinc/21/34/93/592213493.db2.gz SIZZYHUFRWOWII-OCAPTIKFSA-N 1 2 209.249 0.668 20 0 BCADLO COCc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886346831 592213495 /nfs/dbraw/zinc/21/34/95/592213495.db2.gz SIZZYHUFRWOWII-OCAPTIKFSA-N 1 2 209.249 0.668 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886466948 592228882 /nfs/dbraw/zinc/22/88/82/592228882.db2.gz PPSLEQJNJWOGQE-LLVKDONJSA-N 1 2 249.318 0.105 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886466948 592228885 /nfs/dbraw/zinc/22/88/85/592228885.db2.gz PPSLEQJNJWOGQE-LLVKDONJSA-N 1 2 249.318 0.105 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H]1CC1CC1 ZINC000886464377 592229008 /nfs/dbraw/zinc/22/90/08/592229008.db2.gz USNIJACSLIJSJX-LBPRGKRZSA-N 1 2 249.314 0.911 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ncco1 ZINC000886530158 592247430 /nfs/dbraw/zinc/24/74/30/592247430.db2.gz FPEWXJLAKHDIDY-QMMMGPOBSA-N 1 2 211.265 0.804 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1ncco1 ZINC000886528805 592247737 /nfs/dbraw/zinc/24/77/37/592247737.db2.gz RRIDGLLNLQGVRN-QMMMGPOBSA-N 1 2 211.265 0.851 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ncco1 ZINC000886537384 592250987 /nfs/dbraw/zinc/25/09/87/592250987.db2.gz ZMMKYBSOFLUGRI-YUMQZZPRSA-N 1 2 209.249 0.604 20 0 BCADLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ncco1 ZINC000886539085 592252135 /nfs/dbraw/zinc/25/21/35/592252135.db2.gz SVFVQRPSZUQNBG-MRVPVSSYSA-N 1 2 247.320 0.217 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000886592148 592269904 /nfs/dbraw/zinc/26/99/04/592269904.db2.gz MDPFIPYNLSOAAD-HTQZYQBOSA-N 1 2 237.246 0.545 20 0 BCADLO COC(=O)[C@@H]1CC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000886592150 592270418 /nfs/dbraw/zinc/27/04/18/592270418.db2.gz MDPFIPYNLSOAAD-SFYZADRCSA-N 1 2 237.246 0.545 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H](O)C1CC1)C2 ZINC000886613197 592275395 /nfs/dbraw/zinc/27/53/95/592275395.db2.gz HQSHHJSSVYYYNR-GFCCVEGCSA-N 1 2 249.314 0.559 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H](O)C1CC1)C2 ZINC000886613198 592276501 /nfs/dbraw/zinc/27/65/01/592276501.db2.gz HQSHHJSSVYYYNR-LBPRGKRZSA-N 1 2 249.314 0.559 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687650 592304165 /nfs/dbraw/zinc/30/41/65/592304165.db2.gz BKSJGNQNLBYKCY-JTQLQIEISA-N 1 2 244.302 0.974 20 0 BCADLO c1nn[nH]c1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687650 592304169 /nfs/dbraw/zinc/30/41/69/592304169.db2.gz BKSJGNQNLBYKCY-JTQLQIEISA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687650 592304173 /nfs/dbraw/zinc/30/41/73/592304173.db2.gz BKSJGNQNLBYKCY-JTQLQIEISA-N 1 2 244.302 0.974 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687650 592304177 /nfs/dbraw/zinc/30/41/77/592304177.db2.gz BKSJGNQNLBYKCY-JTQLQIEISA-N 1 2 244.302 0.974 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818079 592340310 /nfs/dbraw/zinc/34/03/10/592340310.db2.gz AGZJOTLXLKKWRK-JQWIXIFHSA-N 1 2 236.319 0.848 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818079 592340315 /nfs/dbraw/zinc/34/03/15/592340315.db2.gz AGZJOTLXLKKWRK-JQWIXIFHSA-N 1 2 236.319 0.848 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000886852417 592367599 /nfs/dbraw/zinc/36/75/99/592367599.db2.gz JHDWSXMSVXKQIE-QMMMGPOBSA-N 1 2 224.264 0.340 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000886852417 592367604 /nfs/dbraw/zinc/36/76/04/592367604.db2.gz JHDWSXMSVXKQIE-QMMMGPOBSA-N 1 2 224.264 0.340 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000886905700 592393678 /nfs/dbraw/zinc/39/36/78/592393678.db2.gz KFSRNVJOWCXNAY-MNOVXSKESA-N 1 2 245.319 0.581 20 0 BCADLO COC[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCOC1 ZINC000886915651 592395214 /nfs/dbraw/zinc/39/52/14/592395214.db2.gz HNTSFVKSLPCGLZ-KOLCDFICSA-N 1 2 240.307 0.336 20 0 BCADLO COC[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCOC1 ZINC000886915653 592396056 /nfs/dbraw/zinc/39/60/56/592396056.db2.gz HNTSFVKSLPCGLZ-ONGXEEELSA-N 1 2 240.307 0.336 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886950958 592400308 /nfs/dbraw/zinc/40/03/08/592400308.db2.gz UNLZLBXZGVEOKB-MXWKQRLJSA-N 1 2 245.319 0.458 20 0 BCADLO CC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886953084 592401103 /nfs/dbraw/zinc/40/11/03/592401103.db2.gz UAXVMWXLOZVLEI-BDAKNGLRSA-N 1 2 201.266 0.707 20 0 BCADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCCO ZINC000886953306 592401297 /nfs/dbraw/zinc/40/12/97/592401297.db2.gz XUGPKJRYGAYBSL-GHMZBOCLSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCO ZINC000886952601 592401345 /nfs/dbraw/zinc/40/13/45/592401345.db2.gz LDEGBRDMRBZZAP-VHSXEESVSA-N 1 2 231.292 0.069 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1cnn(CC)n1)C(N)=O ZINC000887055709 592432668 /nfs/dbraw/zinc/43/26/68/592432668.db2.gz HOEMLOGGTRQAOO-WPRPVWTQSA-N 1 2 239.323 0.288 20 0 BCADLO CCc1noc(C[NH2+][C@H](C(N)=O)[C@@H](C)CC)n1 ZINC000887063213 592433711 /nfs/dbraw/zinc/43/37/11/592433711.db2.gz VGQLBLFKFYTLPN-XVKPBYJWSA-N 1 2 240.307 0.622 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CC[C@H](C)O ZINC000887077147 592435417 /nfs/dbraw/zinc/43/54/17/592435417.db2.gz FNNUGCYLAHSGJV-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CC[C@H](C)O ZINC000887077147 592435420 /nfs/dbraw/zinc/43/54/20/592435420.db2.gz FNNUGCYLAHSGJV-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)C(C)C ZINC000887077836 592435675 /nfs/dbraw/zinc/43/56/75/592435675.db2.gz WCLUQBOBWGVNEM-NXEZZACHSA-N 1 2 247.360 0.594 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)C(C)C ZINC000887077836 592435678 /nfs/dbraw/zinc/43/56/78/592435678.db2.gz WCLUQBOBWGVNEM-NXEZZACHSA-N 1 2 247.360 0.594 20 0 BCADLO O=c1c2c([nH]n1[C@H]1CCCSC1)CC[NH2+]C2 ZINC000887299375 592479609 /nfs/dbraw/zinc/47/96/09/592479609.db2.gz YAYPWVWOEQSIAB-DTWKUNHWSA-N 1 2 239.344 0.690 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000887477682 592512758 /nfs/dbraw/zinc/51/27/58/592512758.db2.gz XZWODJWIBBLGGI-NEPJUHHUSA-N 1 2 249.314 0.957 20 0 BCADLO CCn1cc(C[N@H+](C)CCc2cnccn2)nn1 ZINC000887552713 592524210 /nfs/dbraw/zinc/52/42/10/592524210.db2.gz NYFLNLVPOBCTCL-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO CCn1cc(C[N@@H+](C)CCc2cnccn2)nn1 ZINC000887552713 592524211 /nfs/dbraw/zinc/52/42/11/592524211.db2.gz NYFLNLVPOBCTCL-UHFFFAOYSA-N 1 2 246.318 0.763 20 0 BCADLO CCC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000888919956 592558963 /nfs/dbraw/zinc/55/89/63/592558963.db2.gz GTDGWPFYXKSZLU-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO CCC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000888919956 592558966 /nfs/dbraw/zinc/55/89/66/592558966.db2.gz GTDGWPFYXKSZLU-SECBINFHSA-N 1 2 239.275 0.410 20 0 BCADLO COCC1CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000887934127 592560872 /nfs/dbraw/zinc/56/08/72/592560872.db2.gz RJXCKOGKBFUFHF-UHFFFAOYSA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000888056889 592570645 /nfs/dbraw/zinc/57/06/45/592570645.db2.gz YAHCHRJEBBVQMC-SECBINFHSA-N 1 2 237.259 0.047 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000888065843 592572597 /nfs/dbraw/zinc/57/25/97/592572597.db2.gz DAXIXPLHZVBDTF-MRVPVSSYSA-N 1 2 237.259 0.116 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000889063650 592578233 /nfs/dbraw/zinc/57/82/33/592578233.db2.gz CXJHZJZYRUNGBI-AEJSXWLSSA-N 1 2 246.314 0.928 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000889063650 592578236 /nfs/dbraw/zinc/57/82/36/592578236.db2.gz CXJHZJZYRUNGBI-AEJSXWLSSA-N 1 2 246.314 0.928 20 0 BCADLO Cc1nnc(CNC(=O)C[C@H](C)n2cc[nH+]c2)[nH]1 ZINC000889700450 592646951 /nfs/dbraw/zinc/64/69/51/592646951.db2.gz ZBYCJURSCKZTQH-QMMMGPOBSA-N 1 2 248.290 0.577 20 0 BCADLO Cn1c[nH+]c(CNC(=O)Cc2ccc(F)cn2)c1 ZINC000890099715 592679169 /nfs/dbraw/zinc/67/91/69/592679169.db2.gz HMFQPAKLSLRELR-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100343 592679377 /nfs/dbraw/zinc/67/93/77/592679377.db2.gz SROMJBRZTOWMRK-RKDXNWHRSA-N 1 2 209.249 0.071 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnn(C3CC3)c2)c1 ZINC000890103312 592680073 /nfs/dbraw/zinc/68/00/73/592680073.db2.gz ITHRZCHWPBVEGM-UHFFFAOYSA-N 1 2 245.286 0.882 20 0 BCADLO C[C@H](CC(=O)NCc1cn(C)cn1)n1cc[nH+]c1 ZINC000890103727 592680266 /nfs/dbraw/zinc/68/02/66/592680266.db2.gz CDMALRPOENNHKO-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO Cc1ccnn1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890103045 592680483 /nfs/dbraw/zinc/68/04/83/592680483.db2.gz FLGQYWWEPMVPAJ-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO Cn1cnc(CNC(=O)CNc2cccc[nH+]2)c1 ZINC000890105224 592681354 /nfs/dbraw/zinc/68/13/54/592681354.db2.gz ZOTVJISNVFFCCK-UHFFFAOYSA-N 1 2 245.286 0.543 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000890106756 592681587 /nfs/dbraw/zinc/68/15/87/592681587.db2.gz DATGZMZHDHYDBW-DTWKUNHWSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109314 592682970 /nfs/dbraw/zinc/68/29/70/592682970.db2.gz KCVCFTFCILZWGU-WPRPVWTQSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)nc(C)n1 ZINC000890109391 592682978 /nfs/dbraw/zinc/68/29/78/592682978.db2.gz NFNMOAKOBYUONS-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@@]23CCOC3)c1 ZINC000890108175 592683315 /nfs/dbraw/zinc/68/33/15/592683315.db2.gz VEAYYXQCTLEZKI-CMPLNLGQSA-N 1 2 235.287 0.463 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCSC2)c1 ZINC000890110054 592684013 /nfs/dbraw/zinc/68/40/13/592684013.db2.gz JOJUWZJAHDDWJP-MRVPVSSYSA-N 1 2 225.317 0.789 20 0 BCADLO CCOCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114128 592684504 /nfs/dbraw/zinc/68/45/04/592684504.db2.gz VEHRFLQZBAMENZ-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2ccn(C)n2)c1 ZINC000890114323 592685196 /nfs/dbraw/zinc/68/51/96/592685196.db2.gz GFSTZEULRLBWKK-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890116958 592685725 /nfs/dbraw/zinc/68/57/25/592685725.db2.gz DOYZRWFAUSGWJL-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO Cc1cnn(CCC(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890114513 592685931 /nfs/dbraw/zinc/68/59/31/592685931.db2.gz NOBIZODFJDHLJP-UHFFFAOYSA-N 1 2 247.302 0.632 20 0 BCADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000890462441 592700550 /nfs/dbraw/zinc/70/05/50/592700550.db2.gz ZBQUWGNREJISFI-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@H](NC(=O)CNc1cccc[nH+]1)C(C)(C)O ZINC000890462485 592701092 /nfs/dbraw/zinc/70/10/92/592701092.db2.gz NTRVXGMXDWWBQM-VIFPVBQESA-N 1 2 237.303 0.769 20 0 BCADLO O=C([O-])c1coc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000740268238 599848556 /nfs/dbraw/zinc/84/85/56/599848556.db2.gz FYXNVIUAMXOBQJ-AOOOYVTPSA-N 1 2 236.271 0.629 20 0 BCADLO O=C([O-])c1coc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000740268238 599848560 /nfs/dbraw/zinc/84/85/60/599848560.db2.gz FYXNVIUAMXOBQJ-AOOOYVTPSA-N 1 2 236.271 0.629 20 0 BCADLO CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000035391125 601824259 /nfs/dbraw/zinc/82/42/59/601824259.db2.gz USZRPPRXZZAIML-VIFPVBQESA-N 1 2 211.265 0.582 20 0 BCADLO C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000739727414 602052587 /nfs/dbraw/zinc/05/25/87/602052587.db2.gz OPXRZYKLCIYNTM-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000739727414 602052592 /nfs/dbraw/zinc/05/25/92/602052592.db2.gz OPXRZYKLCIYNTM-QWRGUYRKSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)[O-])[NH+](C)C ZINC000738938077 602649809 /nfs/dbraw/zinc/64/98/09/602649809.db2.gz GJHYRZAPRAAKHF-UWVGGRQHSA-N 1 2 229.324 0.669 20 0 BCADLO O=C([O-])[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000035300670 604994648 /nfs/dbraw/zinc/99/46/48/604994648.db2.gz CBPAXXZGFZNZPV-VIFPVBQESA-N 1 2 209.249 0.432 20 0 BCADLO O=C([O-])[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000035300670 604994650 /nfs/dbraw/zinc/99/46/50/604994650.db2.gz CBPAXXZGFZNZPV-VIFPVBQESA-N 1 2 209.249 0.432 20 0 BCADLO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ncn(C)n1 ZINC000312974463 634426838 /nfs/dbraw/zinc/42/68/38/634426838.db2.gz LFIOXRPJRVBBFP-DTWKUNHWSA-N 1 2 224.308 0.891 20 0 BCADLO CCCNC(=S)NCCc1cn(C)c[nH+]1 ZINC000313472953 634461691 /nfs/dbraw/zinc/46/16/91/634461691.db2.gz NOMIHLHWBMFSCS-UHFFFAOYSA-N 1 2 226.349 0.837 20 0 BCADLO CCC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000909353665 634470623 /nfs/dbraw/zinc/47/06/23/634470623.db2.gz JJGJCXXMIHGSLF-NSHDSACASA-N 1 2 249.314 0.933 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCOC1 ZINC000909361689 634504964 /nfs/dbraw/zinc/50/49/64/634504964.db2.gz CTEZFUBGPJDCQJ-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO CN(C)c1cc(N[C@@H](CO)CC(F)F)[nH+]cn1 ZINC000893489829 634529072 /nfs/dbraw/zinc/52/90/72/634529072.db2.gz KWAWXRRKCLNDDV-SSDOTTSWSA-N 1 2 246.261 0.971 20 0 BCADLO CN(C)c1cc(N[C@@H](CO)CC(F)F)nc[nH+]1 ZINC000893489829 634529079 /nfs/dbraw/zinc/52/90/79/634529079.db2.gz KWAWXRRKCLNDDV-SSDOTTSWSA-N 1 2 246.261 0.971 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1CO ZINC000909376291 634543397 /nfs/dbraw/zinc/54/33/97/634543397.db2.gz KENQYSGIHCZQDV-WPRPVWTQSA-N 1 2 223.276 0.229 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000314643915 635223770 /nfs/dbraw/zinc/22/37/70/635223770.db2.gz GOMWBANVVJXOAA-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C1CCC1 ZINC000909393013 634603673 /nfs/dbraw/zinc/60/36/73/634603673.db2.gz QZWWAODLAHNWND-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cc[nH]n1 ZINC000066989468 635472915 /nfs/dbraw/zinc/47/29/15/635472915.db2.gz IWQSHYJBFLHMRA-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1cnon1 ZINC001028215595 635489823 /nfs/dbraw/zinc/48/98/23/635489823.db2.gz USCSQVZVERNUMQ-QMMMGPOBSA-N 1 2 242.254 0.233 20 0 BCADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1cnon1 ZINC001028215595 635489829 /nfs/dbraw/zinc/48/98/29/635489829.db2.gz USCSQVZVERNUMQ-QMMMGPOBSA-N 1 2 242.254 0.233 20 0 BCADLO CC[S@@](=O)CC[NH2+]Cc1c[nH]cn1 ZINC000124140599 635541387 /nfs/dbraw/zinc/54/13/87/635541387.db2.gz XHDFQMBOGOKLNZ-ZDUSSCGKSA-N 1 2 201.295 0.268 20 0 BCADLO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CNOC1 ZINC000925861483 635557212 /nfs/dbraw/zinc/55/72/12/635557212.db2.gz COMLESZQVUBMDE-DTWKUNHWSA-N 1 2 208.265 0.339 20 0 BCADLO C[C@H]([NH2+][C@H]1CNOC1)c1cc2n(n1)CCC2 ZINC000925863350 635564194 /nfs/dbraw/zinc/56/41/94/635564194.db2.gz CETDXAKIFLYPQO-IUCAKERBSA-N 1 2 222.292 0.383 20 0 BCADLO Cc1ccc(C[N@H+](C)CCS(N)(=O)=O)o1 ZINC000077247225 631216822 /nfs/dbraw/zinc/21/68/22/631216822.db2.gz WEDVYGXMCUTABN-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO Cc1ccc(C[N@@H+](C)CCS(N)(=O)=O)o1 ZINC000077247225 631216824 /nfs/dbraw/zinc/21/68/24/631216824.db2.gz WEDVYGXMCUTABN-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324189 631252515 /nfs/dbraw/zinc/25/25/15/631252515.db2.gz SLJLJBNFRXWYOM-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](O)CC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324189 631252521 /nfs/dbraw/zinc/25/25/21/631252521.db2.gz SLJLJBNFRXWYOM-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO CCOCCOCC[N@@H+]1CCOC[C@@H]1COC ZINC000933327278 631257106 /nfs/dbraw/zinc/25/71/06/631257106.db2.gz NQXJGNRJPPPQBN-LBPRGKRZSA-N 1 2 247.335 0.387 20 0 BCADLO CCOCCOCC[N@H+]1CCOC[C@@H]1COC ZINC000933327278 631257111 /nfs/dbraw/zinc/25/71/11/631257111.db2.gz NQXJGNRJPPPQBN-LBPRGKRZSA-N 1 2 247.335 0.387 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCOC[C@@H]1COC ZINC000933335980 631275452 /nfs/dbraw/zinc/27/54/52/631275452.db2.gz OSGGNYGDYHODMV-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)CC[N@H+]1CCOC[C@@H]1COC ZINC000933335980 631275458 /nfs/dbraw/zinc/27/54/58/631275458.db2.gz OSGGNYGDYHODMV-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO Cc1nn(C)cc1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308385390 631307907 /nfs/dbraw/zinc/30/79/07/631307907.db2.gz HKOGTSNCSXLNMY-UHFFFAOYSA-N 1 2 245.286 0.636 20 0 BCADLO CC(C)OCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308390830 631309574 /nfs/dbraw/zinc/30/95/74/631309574.db2.gz KNENDWVSFKLGLT-UHFFFAOYSA-N 1 2 223.276 0.705 20 0 BCADLO OCc1cnc(NCCn2cc[nH+]c2)cn1 ZINC000891517771 631383132 /nfs/dbraw/zinc/38/31/32/631383132.db2.gz XZNQHAOWHMCCQZ-UHFFFAOYSA-N 1 2 219.248 0.278 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926263319 631528661 /nfs/dbraw/zinc/52/86/61/631528661.db2.gz PNHYOAPDZHAINZ-IUCAKERBSA-N 1 2 239.323 0.333 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000934010425 631583378 /nfs/dbraw/zinc/58/33/78/631583378.db2.gz DCSOMOFQTZNPNZ-LLVKDONJSA-N 1 2 207.277 0.396 20 0 BCADLO OC[C@H]1CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000934010425 631583385 /nfs/dbraw/zinc/58/33/85/631583385.db2.gz DCSOMOFQTZNPNZ-LLVKDONJSA-N 1 2 207.277 0.396 20 0 BCADLO COC(=O)c1cccc(C[N@@H+]2CC[C@H]2CO)n1 ZINC000934012773 631591632 /nfs/dbraw/zinc/59/16/32/631591632.db2.gz CZFDKQIDBAZSCX-JTQLQIEISA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)c1cccc(C[N@H+]2CC[C@H]2CO)n1 ZINC000934012773 631591644 /nfs/dbraw/zinc/59/16/44/631591644.db2.gz CZFDKQIDBAZSCX-JTQLQIEISA-N 1 2 236.271 0.435 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@@H]2CO)CCN1c1ccccc1 ZINC000934024772 631597910 /nfs/dbraw/zinc/59/79/10/631597910.db2.gz WQPGMWJUOPLJMR-OLZOCXBDSA-N 1 2 246.310 0.859 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@@H]2CO)CCN1c1ccccc1 ZINC000934024772 631597915 /nfs/dbraw/zinc/59/79/15/631597915.db2.gz WQPGMWJUOPLJMR-OLZOCXBDSA-N 1 2 246.310 0.859 20 0 BCADLO COc1coc(C[N@@H+]2CC[C@@H]2CO)cc1=O ZINC000934027908 631612663 /nfs/dbraw/zinc/61/26/63/631612663.db2.gz SSFCSZPWYDKLAI-MRVPVSSYSA-N 1 2 225.244 0.215 20 0 BCADLO COc1coc(C[N@H+]2CC[C@@H]2CO)cc1=O ZINC000934027908 631612666 /nfs/dbraw/zinc/61/26/66/631612666.db2.gz SSFCSZPWYDKLAI-MRVPVSSYSA-N 1 2 225.244 0.215 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001028361049 635657782 /nfs/dbraw/zinc/65/77/82/635657782.db2.gz QCJOOHLVFCWGPQ-JTQLQIEISA-N 1 2 238.291 0.336 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001028361049 635657783 /nfs/dbraw/zinc/65/77/83/635657783.db2.gz QCJOOHLVFCWGPQ-JTQLQIEISA-N 1 2 238.291 0.336 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC001028362490 635660460 /nfs/dbraw/zinc/66/04/60/635660460.db2.gz INUZYWFKWZDWQV-SECBINFHSA-N 1 2 240.332 0.496 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001028362490 635660463 /nfs/dbraw/zinc/66/04/63/635660463.db2.gz INUZYWFKWZDWQV-SECBINFHSA-N 1 2 240.332 0.496 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934023705 631624546 /nfs/dbraw/zinc/62/45/46/631624546.db2.gz UXAFXXBLZHRTFE-MNOVXSKESA-N 1 2 220.272 0.280 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934023705 631624549 /nfs/dbraw/zinc/62/45/49/631624549.db2.gz UXAFXXBLZHRTFE-MNOVXSKESA-N 1 2 220.272 0.280 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934028344 631626922 /nfs/dbraw/zinc/62/69/22/631626922.db2.gz NEHLJRUJIADHHZ-LBPRGKRZSA-N 1 2 234.299 0.716 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934028344 631626924 /nfs/dbraw/zinc/62/69/24/631626924.db2.gz NEHLJRUJIADHHZ-LBPRGKRZSA-N 1 2 234.299 0.716 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934029937 631629778 /nfs/dbraw/zinc/62/97/78/631629778.db2.gz IRQCBXXKXGXMSX-WOPDTQHZSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934029937 631629782 /nfs/dbraw/zinc/62/97/82/631629782.db2.gz IRQCBXXKXGXMSX-WOPDTQHZSA-N 1 2 240.347 0.748 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nonc1C ZINC000934112992 631687705 /nfs/dbraw/zinc/68/77/05/631687705.db2.gz XXSSQRHFCZFKGN-VHSXEESVSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nonc1C ZINC000934112992 631687709 /nfs/dbraw/zinc/68/77/09/631687709.db2.gz XXSSQRHFCZFKGN-VHSXEESVSA-N 1 2 211.265 0.987 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2cncs2)C1=O ZINC000934195724 631727654 /nfs/dbraw/zinc/72/76/54/631727654.db2.gz QOYLXWCABJUFNB-HTQZYQBOSA-N 1 2 241.316 0.956 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C=C\C(=O)OCC ZINC000309051287 631826171 /nfs/dbraw/zinc/82/61/71/631826171.db2.gz GZCRUHMIFNUAGW-SREVYHEPSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C=C\C(=O)OCC ZINC000309051287 631826174 /nfs/dbraw/zinc/82/61/74/631826174.db2.gz GZCRUHMIFNUAGW-SREVYHEPSA-N 1 2 228.292 0.174 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934477606 631871580 /nfs/dbraw/zinc/87/15/80/631871580.db2.gz LRFLUROQYMCNFO-LBPRGKRZSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934477606 631871583 /nfs/dbraw/zinc/87/15/83/631871583.db2.gz LRFLUROQYMCNFO-LBPRGKRZSA-N 1 2 242.319 0.507 20 0 BCADLO COC(C[N@@H+]1CC[C@H](O)[C@H](F)C1)OC ZINC000934571800 631943785 /nfs/dbraw/zinc/94/37/85/631943785.db2.gz ZEVSWUBQPPXBGD-SFYZADRCSA-N 1 2 207.245 0.010 20 0 BCADLO COC(C[N@H+]1CC[C@H](O)[C@H](F)C1)OC ZINC000934571800 631943791 /nfs/dbraw/zinc/94/37/91/631943791.db2.gz ZEVSWUBQPPXBGD-SFYZADRCSA-N 1 2 207.245 0.010 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](O)[C@@H](F)C2)[nH+]c1C ZINC000934568057 631935019 /nfs/dbraw/zinc/93/50/19/631935019.db2.gz SPHWJUBMXKMOMS-UWVGGRQHSA-N 1 2 227.283 0.931 20 0 BCADLO CSCCONC(=O)NCc1c[nH+]cn1C ZINC000292646041 632074593 /nfs/dbraw/zinc/07/45/93/632074593.db2.gz WBCXJKBCQRWRRS-UHFFFAOYSA-N 1 2 244.320 0.514 20 0 BCADLO CC[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)OC ZINC000308903525 632118568 /nfs/dbraw/zinc/11/85/68/632118568.db2.gz BWPRPDVOYCOFIP-NXEZZACHSA-N 1 2 215.293 0.689 20 0 BCADLO CC[C@H]([NH2+][C@H](C)c1nonc1C)C(=O)NC ZINC000926553063 632493295 /nfs/dbraw/zinc/49/32/95/632493295.db2.gz SVBQDQJVURAUDF-SVRRBLITSA-N 1 2 226.280 0.553 20 0 BCADLO CC[C@H](O[NH+]=C(N)Cc1cccnc1)C(N)=O ZINC000159455162 632535956 /nfs/dbraw/zinc/53/59/56/632535956.db2.gz RBTKTTVCDPQFQF-VIFPVBQESA-N 1 2 236.275 0.177 20 0 BCADLO C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccnn1C ZINC000235210502 632535974 /nfs/dbraw/zinc/53/59/74/632535974.db2.gz UQKWZFVMXGAGND-NXEZZACHSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccnn1C ZINC000235210502 632535980 /nfs/dbraw/zinc/53/59/80/632535980.db2.gz UQKWZFVMXGAGND-NXEZZACHSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccnn1C ZINC000235210304 632536055 /nfs/dbraw/zinc/53/60/55/632536055.db2.gz UQKWZFVMXGAGND-ZJUUUORDSA-N 1 2 208.309 0.775 20 0 BCADLO C[C@@H](N[C@H]1CC[N@@H+](C)C1)c1ccnn1C ZINC000235210304 632536060 /nfs/dbraw/zinc/53/60/60/632536060.db2.gz UQKWZFVMXGAGND-ZJUUUORDSA-N 1 2 208.309 0.775 20 0 BCADLO COC(C[N@@H+]1CCC[C@@H]1c1nncn1C)OC ZINC000162193640 632548659 /nfs/dbraw/zinc/54/86/59/632548659.db2.gz IZIPAKUGLLXNOZ-SECBINFHSA-N 1 2 240.307 0.571 20 0 BCADLO COC(C[N@H+]1CCC[C@@H]1c1nncn1C)OC ZINC000162193640 632548664 /nfs/dbraw/zinc/54/86/64/632548664.db2.gz IZIPAKUGLLXNOZ-SECBINFHSA-N 1 2 240.307 0.571 20 0 BCADLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCN1C ZINC000309744428 632663507 /nfs/dbraw/zinc/66/35/07/632663507.db2.gz IRDXLSPGAXGBFF-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCN1C ZINC000309744428 632663508 /nfs/dbraw/zinc/66/35/08/632663508.db2.gz IRDXLSPGAXGBFF-DTWKUNHWSA-N 1 2 240.269 0.936 20 0 BCADLO Cc1nc(NCCc2cccnc2)nc(N)[nH+]1 ZINC000310085668 632699562 /nfs/dbraw/zinc/69/95/62/632699562.db2.gz AJLXGQSPANKNSA-UHFFFAOYSA-N 1 2 230.275 0.812 20 0 BCADLO Cc1nc(N)nc(NCCc2cccnc2)[nH+]1 ZINC000310085668 632699564 /nfs/dbraw/zinc/69/95/64/632699564.db2.gz AJLXGQSPANKNSA-UHFFFAOYSA-N 1 2 230.275 0.812 20 0 BCADLO COCc1nn(C[N@H+](C)C2CCCC2)c(=O)o1 ZINC000177147867 632767253 /nfs/dbraw/zinc/76/72/53/632767253.db2.gz GQYUWBOJXUZVBZ-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO COCc1nn(C[N@@H+](C)C2CCCC2)c(=O)o1 ZINC000177147867 632767262 /nfs/dbraw/zinc/76/72/62/632767262.db2.gz GQYUWBOJXUZVBZ-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO CC[N@H+](CC(C)C)Cn1nc(COC)oc1=O ZINC000177151929 632768609 /nfs/dbraw/zinc/76/86/09/632768609.db2.gz UWRPIWBPEIFIGJ-UHFFFAOYSA-N 1 2 243.307 0.918 20 0 BCADLO CC[N@@H+](CC(C)C)Cn1nc(COC)oc1=O ZINC000177151929 632768617 /nfs/dbraw/zinc/76/86/17/632768617.db2.gz UWRPIWBPEIFIGJ-UHFFFAOYSA-N 1 2 243.307 0.918 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@H]1CCn2c[nH+]cc2C1 ZINC000935596002 632850698 /nfs/dbraw/zinc/85/06/98/632850698.db2.gz ABQUFBFYQVMVKX-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1c[nH]nn1)CC2 ZINC000935598363 632854832 /nfs/dbraw/zinc/85/48/32/632854832.db2.gz YFZJWTZBTZGVAI-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cn1cnc(C[NH2+]C[C@@H](O)c2ccccc2)n1 ZINC000236131754 632884170 /nfs/dbraw/zinc/88/41/70/632884170.db2.gz OWWBPAXCKHOVAN-LLVKDONJSA-N 1 2 232.287 0.638 20 0 BCADLO COC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909406983 635898893 /nfs/dbraw/zinc/89/88/93/635898893.db2.gz WPKQZNGHOPKZDZ-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO Nc1cc(COC(=O)[C@H](O)C2CC2)cc[nH+]1 ZINC000309541983 633194995 /nfs/dbraw/zinc/19/49/95/633194995.db2.gz GTMXNISWLPXDQK-SNVBAGLBSA-N 1 2 222.244 0.478 20 0 BCADLO CCc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(CC)[nH+]1 ZINC000892776646 633223980 /nfs/dbraw/zinc/22/39/80/633223980.db2.gz HSNNOXXXOITSOI-AOOOYVTPSA-N 1 2 237.303 0.143 20 0 BCADLO Cc1n[nH]c(C[NH+]2CC(C)(CO)C2)c1C ZINC000894980485 636011638 /nfs/dbraw/zinc/01/16/38/636011638.db2.gz QTMLKEAULGMPLU-UHFFFAOYSA-N 1 2 209.293 0.841 20 0 BCADLO CC(C)NC(=S)NCc1c[nH+]cn1C ZINC000307260330 635984434 /nfs/dbraw/zinc/98/44/34/635984434.db2.gz SKQBQNCRGSMXQB-UHFFFAOYSA-N 1 2 212.322 0.793 20 0 BCADLO COC[C@H](O)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000336716453 636000628 /nfs/dbraw/zinc/00/06/28/636000628.db2.gz WEXYBSGIQKPUFL-PSASIEDQSA-N 1 2 225.292 0.384 20 0 BCADLO Cn1cc(C=O)cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928554879 636092883 /nfs/dbraw/zinc/09/28/83/636092883.db2.gz MAGLQSQLRMNCJB-SNVBAGLBSA-N 1 2 235.287 0.272 20 0 BCADLO Cn1cc(C=O)cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928554879 636092884 /nfs/dbraw/zinc/09/28/84/636092884.db2.gz MAGLQSQLRMNCJB-SNVBAGLBSA-N 1 2 235.287 0.272 20 0 BCADLO CCC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928556180 636094811 /nfs/dbraw/zinc/09/48/11/636094811.db2.gz SIPBYPOWITWDJE-VIFPVBQESA-N 1 2 224.304 0.566 20 0 BCADLO CCC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928556180 636094815 /nfs/dbraw/zinc/09/48/15/636094815.db2.gz SIPBYPOWITWDJE-VIFPVBQESA-N 1 2 224.304 0.566 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555822 636094838 /nfs/dbraw/zinc/09/48/38/636094838.db2.gz NUTBWUPWEDMURD-SNVBAGLBSA-N 1 2 235.287 0.570 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555822 636094841 /nfs/dbraw/zinc/09/48/41/636094841.db2.gz NUTBWUPWEDMURD-SNVBAGLBSA-N 1 2 235.287 0.570 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCC(=O)CC1 ZINC000928556662 636096229 /nfs/dbraw/zinc/09/62/29/636096229.db2.gz UMOBHEPXGFZMNK-JTQLQIEISA-N 1 2 238.331 0.956 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C1(C)CCC(=O)CC1 ZINC000928556662 636096233 /nfs/dbraw/zinc/09/62/33/636096233.db2.gz UMOBHEPXGFZMNK-JTQLQIEISA-N 1 2 238.331 0.956 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC000928557969 636099210 /nfs/dbraw/zinc/09/92/10/636099210.db2.gz VTHZOVQLNNZCLJ-SSDOTTSWSA-N 1 2 211.290 0.577 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC000928557969 636099213 /nfs/dbraw/zinc/09/92/13/636099213.db2.gz VTHZOVQLNNZCLJ-SSDOTTSWSA-N 1 2 211.290 0.577 20 0 BCADLO COCC[N@H+](C)CN1CCSC1=O ZINC000122498000 633769270 /nfs/dbraw/zinc/76/92/70/633769270.db2.gz RSXSOSPJMPEZRM-UHFFFAOYSA-N 1 2 204.295 0.691 20 0 BCADLO COCC[N@@H+](C)CN1CCSC1=O ZINC000122498000 633769276 /nfs/dbraw/zinc/76/92/76/633769276.db2.gz RSXSOSPJMPEZRM-UHFFFAOYSA-N 1 2 204.295 0.691 20 0 BCADLO CCN1CCN(c2cc(N(C)C)[nH+]cn2)CC1=O ZINC000893164923 633872763 /nfs/dbraw/zinc/87/27/63/633872763.db2.gz WXFMPNSDIQDVJX-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO CCN1CCN(c2cc(N(C)C)nc[nH+]2)CC1=O ZINC000893164923 633872767 /nfs/dbraw/zinc/87/27/67/633872767.db2.gz WXFMPNSDIQDVJX-UHFFFAOYSA-N 1 2 249.318 0.211 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)CC[C@H](C)O ZINC000181464688 633916619 /nfs/dbraw/zinc/91/66/19/633916619.db2.gz DLWDLVWVAPABJI-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000181464688 633916622 /nfs/dbraw/zinc/91/66/22/633916622.db2.gz DLWDLVWVAPABJI-JTQLQIEISA-N 1 2 217.309 0.888 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC2(CCC2)CO1 ZINC000924113698 633967169 /nfs/dbraw/zinc/96/71/69/633967169.db2.gz FHWTWYPJNKYDRL-LLVKDONJSA-N 1 2 249.314 0.959 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC1OCCCO1 ZINC000309658291 633984574 /nfs/dbraw/zinc/98/45/74/633984574.db2.gz QOFRMCUCVWAVFE-UHFFFAOYSA-N 1 2 231.292 0.681 20 0 BCADLO Cc1ncccc1C[NH2+]Cc1cnn(C)n1 ZINC000309731019 633997878 /nfs/dbraw/zinc/99/78/78/633997878.db2.gz ZYPXSLWPRLARTJ-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO Cc1coc(C[N@H+](C)CCS(N)(=O)=O)c1 ZINC000895476731 636150047 /nfs/dbraw/zinc/15/00/47/636150047.db2.gz NFTYIPVUAYGBAH-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO Cc1coc(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000895476731 636150049 /nfs/dbraw/zinc/15/00/49/636150049.db2.gz NFTYIPVUAYGBAH-UHFFFAOYSA-N 1 2 232.305 0.308 20 0 BCADLO Cc1cncc(C[N@@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC000930677746 634023181 /nfs/dbraw/zinc/02/31/81/634023181.db2.gz SHPQHOXLUGXZGP-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cncc(C[N@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC000930677746 634023184 /nfs/dbraw/zinc/02/31/84/634023184.db2.gz SHPQHOXLUGXZGP-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO CC[C@]1(O)CCN(c2cc(NC)[nH+]cn2)C1 ZINC000893278599 634046870 /nfs/dbraw/zinc/04/68/70/634046870.db2.gz HWOTXMQBYXKNPO-NSHDSACASA-N 1 2 222.292 0.870 20 0 BCADLO CC[C@]1(O)CCN(c2cc(NC)nc[nH+]2)C1 ZINC000893278599 634046874 /nfs/dbraw/zinc/04/68/74/634046874.db2.gz HWOTXMQBYXKNPO-NSHDSACASA-N 1 2 222.292 0.870 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930737329 634074755 /nfs/dbraw/zinc/07/47/55/634074755.db2.gz HGQSYGVXGPGILY-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930737329 634074761 /nfs/dbraw/zinc/07/47/61/634074761.db2.gz HGQSYGVXGPGILY-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CC[C@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930872513 634145792 /nfs/dbraw/zinc/14/57/92/634145792.db2.gz MEUQGZVIDKRVNB-KWQFWETISA-N 1 2 215.293 0.831 20 0 BCADLO C[NH+]1C[C@@]2(C)CN(Cc3cnn[nH]3)C[C@]2(C)C1 ZINC000931315635 634335016 /nfs/dbraw/zinc/33/50/16/634335016.db2.gz YTMXYCVNRNVYHX-RYUDHWBXSA-N 1 2 235.335 0.578 20 0 BCADLO C[N@@H+]1C[C@@]2(C)CN(Cc3cnn[nH]3)C[C@@]2(C)C1 ZINC000931315637 634335590 /nfs/dbraw/zinc/33/55/90/634335590.db2.gz YTMXYCVNRNVYHX-TXEJJXNPSA-N 1 2 235.335 0.578 20 0 BCADLO C[N@H+]1C[C@@]2(C)CN(Cc3cnn[nH]3)C[C@@]2(C)C1 ZINC000931315637 634335603 /nfs/dbraw/zinc/33/56/03/634335603.db2.gz YTMXYCVNRNVYHX-TXEJJXNPSA-N 1 2 235.335 0.578 20 0 BCADLO COc1ccc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000893552955 635149972 /nfs/dbraw/zinc/14/99/72/635149972.db2.gz HLSAUZMCJPFZRC-UHFFFAOYSA-N 1 2 210.233 0.396 20 0 BCADLO Cc1ccn(CCCc2c[nH+]cn2C)c(=O)n1 ZINC000314253575 635160395 /nfs/dbraw/zinc/16/03/95/635160395.db2.gz XTBKPXQBMZINQV-UHFFFAOYSA-N 1 2 232.287 0.918 20 0 BCADLO O=C1C[N@H+](Cc2cccnc2)CCCN1 ZINC000259131445 635245793 /nfs/dbraw/zinc/24/57/93/635245793.db2.gz AMHOLBFKEWJZNV-UHFFFAOYSA-N 1 2 205.261 0.404 20 0 BCADLO O=C1C[N@@H+](Cc2cccnc2)CCCN1 ZINC000259131445 635245799 /nfs/dbraw/zinc/24/57/99/635245799.db2.gz AMHOLBFKEWJZNV-UHFFFAOYSA-N 1 2 205.261 0.404 20 0 BCADLO CC[C@@H](OC)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980812482 635278549 /nfs/dbraw/zinc/27/85/49/635278549.db2.gz GPKRWARXNDBHBX-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CC[C@@H](OC)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980812482 635278558 /nfs/dbraw/zinc/27/85/58/635278558.db2.gz GPKRWARXNDBHBX-LLVKDONJSA-N 1 2 246.326 0.915 20 0 BCADLO CCc1cc(NC[C@@](C)(O)CO)nc(CC)[nH+]1 ZINC000893624979 635302747 /nfs/dbraw/zinc/30/27/47/635302747.db2.gz PJJDVHHDNULJNU-GFCCVEGCSA-N 1 2 239.319 0.757 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)COC(C)=O ZINC000893629650 635340821 /nfs/dbraw/zinc/34/08/21/635340821.db2.gz DXLKMKWHVZYAJQ-GXSJLCMTSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H](C)COC(C)=O ZINC000893629650 635340826 /nfs/dbraw/zinc/34/08/26/635340826.db2.gz DXLKMKWHVZYAJQ-GXSJLCMTSA-N 1 2 243.303 0.966 20 0 BCADLO CC(C)NC(=S)NCCn1cc[nH+]c1 ZINC000048040980 635800668 /nfs/dbraw/zinc/80/06/68/635800668.db2.gz YXBUGLQYXKXHTJ-UHFFFAOYSA-N 1 2 212.322 0.756 20 0 BCADLO COC[C@@H](C)NC(=S)NCCn1cc[nH+]c1 ZINC000048041080 635800881 /nfs/dbraw/zinc/80/08/81/635800881.db2.gz PFSQCAOGANHDKW-SECBINFHSA-N 1 2 242.348 0.382 20 0 BCADLO CNc1cc(N(C)[C@H](C)CCO)nc[nH+]1 ZINC000894406386 635891977 /nfs/dbraw/zinc/89/19/77/635891977.db2.gz LCUHJZXIBNOLQP-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CNc1cc(N(C)[C@H](C)CCO)[nH+]cn1 ZINC000894406386 635891980 /nfs/dbraw/zinc/89/19/80/635891980.db2.gz LCUHJZXIBNOLQP-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@H]1COC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000895907360 636183289 /nfs/dbraw/zinc/18/32/89/636183289.db2.gz CKSHJUMLVSDGRK-DTWKUNHWSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@H]1COC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000895907360 636183298 /nfs/dbraw/zinc/18/32/98/636183298.db2.gz CKSHJUMLVSDGRK-DTWKUNHWSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cnn(C)c1 ZINC000925132351 636192040 /nfs/dbraw/zinc/19/20/40/636192040.db2.gz XIMPJDDNTMNECR-IUCAKERBSA-N 1 2 234.307 0.960 20 0 BCADLO Cc1[nH]c(CNC(=O)CCc2cn[nH]c2)[nH+]c1C ZINC000896910772 636253061 /nfs/dbraw/zinc/25/30/61/636253061.db2.gz WTHLBRGWKIQASD-UHFFFAOYSA-N 1 2 247.302 0.999 20 0 BCADLO CCc1cc(N2CC[C@H]2CO)nc(C)[nH+]1 ZINC000897119926 636270418 /nfs/dbraw/zinc/27/04/18/636270418.db2.gz KKQZRERKRJORLH-JTQLQIEISA-N 1 2 207.277 0.918 20 0 BCADLO CCn1cc(CC(=O)OCCn2cc[nH+]c2)nn1 ZINC000909586947 636290994 /nfs/dbraw/zinc/29/09/94/636290994.db2.gz NXQWULFXONVRIE-UHFFFAOYSA-N 1 2 249.274 0.280 20 0 BCADLO C[N@@H+](CCOCC1CC1)CCS(C)(=O)=O ZINC000160429309 636391758 /nfs/dbraw/zinc/39/17/58/636391758.db2.gz QLFQANDXFHTCFT-UHFFFAOYSA-N 1 2 235.349 0.389 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cnn(C)n1 ZINC000925212064 636391703 /nfs/dbraw/zinc/39/17/03/636391703.db2.gz DQHLWGGTVWUTQP-DTWKUNHWSA-N 1 2 237.307 0.087 20 0 BCADLO C[N@H+](CCOCC1CC1)CCS(C)(=O)=O ZINC000160429309 636391754 /nfs/dbraw/zinc/39/17/54/636391754.db2.gz QLFQANDXFHTCFT-UHFFFAOYSA-N 1 2 235.349 0.389 20 0 BCADLO C[C@@H](CC(=O)N[C@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000928915654 636510443 /nfs/dbraw/zinc/51/04/43/636510443.db2.gz JXFMBEDJUFPKAD-VWYCJHECSA-N 1 2 237.303 0.985 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCO[C@H](C)C2)o1 ZINC000929108704 636805145 /nfs/dbraw/zinc/80/51/45/636805145.db2.gz FKLRONFWEPSWGY-MRVPVSSYSA-N 1 2 211.265 0.641 20 0 BCADLO Cc1nnc(CC[N@H+]2CCO[C@H](C)C2)o1 ZINC000929108704 636805148 /nfs/dbraw/zinc/80/51/48/636805148.db2.gz FKLRONFWEPSWGY-MRVPVSSYSA-N 1 2 211.265 0.641 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000929118396 636810368 /nfs/dbraw/zinc/81/03/68/636810368.db2.gz OMVLWZZSSMJHMF-VIFPVBQESA-N 1 2 228.292 0.260 20 0 BCADLO CON1CC[C@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000929118396 636810373 /nfs/dbraw/zinc/81/03/73/636810373.db2.gz OMVLWZZSSMJHMF-VIFPVBQESA-N 1 2 228.292 0.260 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](CC3(F)CC3)C[C@H]2C1 ZINC000897618558 636826425 /nfs/dbraw/zinc/82/64/25/636826425.db2.gz DYWYPCZJWPFJNV-DTORHVGOSA-N 1 2 233.308 0.465 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](CC3(F)CC3)C[C@H]2C1 ZINC000897618558 636826430 /nfs/dbraw/zinc/82/64/30/636826430.db2.gz DYWYPCZJWPFJNV-DTORHVGOSA-N 1 2 233.308 0.465 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)[C@@H]1CCC[C@H]1O ZINC000923804411 637025100 /nfs/dbraw/zinc/02/51/00/637025100.db2.gz JZTCRRPFXUFSRG-GHMZBOCLSA-N 1 2 249.314 0.865 20 0 BCADLO Cn1cncc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907231 637063273 /nfs/dbraw/zinc/06/32/73/637063273.db2.gz OVHUKIQOSPLAOD-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO Cn1ncc(C(=O)NCC(C)(C)n2cc[nH+]c2)n1 ZINC000898906892 637064595 /nfs/dbraw/zinc/06/45/95/637064595.db2.gz JOASUBYKSUPVHD-UHFFFAOYSA-N 1 2 248.290 0.177 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cnn(C)n1 ZINC000924752839 637079126 /nfs/dbraw/zinc/07/91/26/637079126.db2.gz HWOIBSSMBAYTJY-CAHLUQPWSA-N 1 2 238.213 0.389 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000900135904 637172140 /nfs/dbraw/zinc/17/21/40/637172140.db2.gz COWJRBANGJOIMK-RKDXNWHRSA-N 1 2 223.276 0.588 20 0 BCADLO Cn1nc2c(c1NC(=O)Cc1c[nH]c[nH+]1)CCC2 ZINC000900354435 637179340 /nfs/dbraw/zinc/17/93/40/637179340.db2.gz BEXCSLRVLMGLPU-UHFFFAOYSA-N 1 2 245.286 0.813 20 0 BCADLO COC(=O)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900907501 637200326 /nfs/dbraw/zinc/20/03/26/637200326.db2.gz IWDLHZIMCWPZBZ-SNVBAGLBSA-N 1 2 237.259 0.020 20 0 BCADLO C/C=C\[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900920212 637204118 /nfs/dbraw/zinc/20/41/18/637204118.db2.gz OOXDZOWDPAPVIE-TYRPZCRBSA-N 1 2 209.249 0.271 20 0 BCADLO CCCN(CC(C)(C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC000900932686 637215700 /nfs/dbraw/zinc/21/57/00/637215700.db2.gz LQVXOLWNVSNXSV-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO NOCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000902426163 637304457 /nfs/dbraw/zinc/30/44/57/637304457.db2.gz ROBHYHIXZBYZPJ-NSHDSACASA-N 1 2 247.302 0.764 20 0 BCADLO O=S(=O)(CC1(F)CC1)Nc1cc[nH+]cc1 ZINC000903599234 637374752 /nfs/dbraw/zinc/37/47/52/637374752.db2.gz JPCVIIJLRVXGQL-UHFFFAOYSA-N 1 2 230.264 0.747 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000905046386 637565237 /nfs/dbraw/zinc/56/52/37/637565237.db2.gz OJERMCVOAAMMOJ-YUSALJHKSA-N 1 2 247.298 0.615 20 0 BCADLO c1c(C[NH+]2CCCCC2)nnn1C1=NOCC1 ZINC000905061179 637595151 /nfs/dbraw/zinc/59/51/51/637595151.db2.gz DYZPADCLGNXAMI-UHFFFAOYSA-N 1 2 235.291 0.846 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)C ZINC000905143977 637650528 /nfs/dbraw/zinc/65/05/28/637650528.db2.gz CBZGVRWQMYYTKG-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO CC(=O)NCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905197657 637692588 /nfs/dbraw/zinc/69/25/88/637692588.db2.gz XNEZNDQZZKAJEL-UHFFFAOYSA-N 1 2 249.314 0.873 20 0 BCADLO Cc1cc(C)c(C(=O)N[C@H](C)C(N)=O)c(C)[nH+]1 ZINC000905522771 637844215 /nfs/dbraw/zinc/84/42/15/637844215.db2.gz XFSNHARZWQPADG-SECBINFHSA-N 1 2 235.287 0.610 20 0 BCADLO CC1=NO[C@@](C)(C(=O)NCc2c[nH+]cn2C)C1 ZINC000905663137 637875553 /nfs/dbraw/zinc/87/55/53/637875553.db2.gz BOIDUVRSOQNWIF-LLVKDONJSA-N 1 2 236.275 0.591 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000905780475 637910082 /nfs/dbraw/zinc/91/00/82/637910082.db2.gz QPJBQISFJACVDF-IMSYWVGJSA-N 1 2 242.319 0.428 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000905780474 637910947 /nfs/dbraw/zinc/91/09/47/637910947.db2.gz QPJBQISFJACVDF-DOLQZWNJSA-N 1 2 242.319 0.428 20 0 BCADLO C[C@H](O)CCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817252 637944886 /nfs/dbraw/zinc/94/48/86/637944886.db2.gz OEVMUKFPWRTKPF-VIFPVBQESA-N 1 2 247.302 0.617 20 0 BCADLO Cc1cc(C)c(C(=O)NCC(N)=O)c(C)[nH+]1 ZINC000905866193 637952534 /nfs/dbraw/zinc/95/25/34/637952534.db2.gz XBDSUYOXPHZSII-UHFFFAOYSA-N 1 2 221.260 0.222 20 0 BCADLO COC1(C)C[NH+](C[C@](C)(O)C(F)F)C1 ZINC000905951308 637999175 /nfs/dbraw/zinc/99/91/75/637999175.db2.gz WWSNDDMFXONGPV-VIFPVBQESA-N 1 2 209.236 0.723 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906130616 638069781 /nfs/dbraw/zinc/06/97/81/638069781.db2.gz OPODEIZXGRMKCB-IEBDPFPHSA-N 1 2 233.271 0.224 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906253862 638119445 /nfs/dbraw/zinc/11/94/45/638119445.db2.gz GDVSMMUASKYTQR-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906253862 638119449 /nfs/dbraw/zinc/11/94/49/638119449.db2.gz GDVSMMUASKYTQR-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO OCCC[N@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906273380 638124901 /nfs/dbraw/zinc/12/49/01/638124901.db2.gz VKDFLSYHEUCDEE-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO OCCC[N@@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906273380 638124904 /nfs/dbraw/zinc/12/49/04/638124904.db2.gz VKDFLSYHEUCDEE-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO CC1(O)CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906279309 638126691 /nfs/dbraw/zinc/12/66/91/638126691.db2.gz BBEMBSBGPUCHOM-UHFFFAOYSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906268384 638130188 /nfs/dbraw/zinc/13/01/88/638130188.db2.gz BOQDKZFDSYAGEU-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906268384 638130194 /nfs/dbraw/zinc/13/01/94/638130194.db2.gz BOQDKZFDSYAGEU-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cn(C2CC2)nn1 ZINC000906301757 638137228 /nfs/dbraw/zinc/13/72/28/638137228.db2.gz ZHZCZMNHEQCTIQ-KWQFWETISA-N 1 2 249.318 0.227 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906318897 638142548 /nfs/dbraw/zinc/14/25/48/638142548.db2.gz ZXPDBJHWBRIQRE-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906318897 638142552 /nfs/dbraw/zinc/14/25/52/638142552.db2.gz ZXPDBJHWBRIQRE-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000906640671 638226173 /nfs/dbraw/zinc/22/61/73/638226173.db2.gz UQPVUOKSJPFBDL-INTQDDNPSA-N 1 2 237.303 0.739 20 0 BCADLO COC(=O)CC(=O)NCCCCn1cc[nH+]c1 ZINC000906675556 638232240 /nfs/dbraw/zinc/23/22/40/638232240.db2.gz CWVYMAQUAMKEHT-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO Cc1cc(NC(=O)CCC(N)=O)cc[nH+]1 ZINC000906660422 638233677 /nfs/dbraw/zinc/23/36/77/638233677.db2.gz JNCURICEUJHMAS-UHFFFAOYSA-N 1 2 207.233 0.016 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)cc[nH+]1 ZINC000906661263 638234105 /nfs/dbraw/zinc/23/41/05/638234105.db2.gz MYXMQEZNIOOUGU-YUSALJHKSA-N 1 2 230.267 0.976 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906698528 638234163 /nfs/dbraw/zinc/23/41/63/638234163.db2.gz WVLGKJDRPYYYAU-YUSALJHKSA-N 1 2 249.314 0.937 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1n[nH]cc1F ZINC000907527919 638396448 /nfs/dbraw/zinc/39/64/48/638396448.db2.gz KAJMJRZCOGFIDY-SSDOTTSWSA-N 1 2 249.249 0.490 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000907553176 638405357 /nfs/dbraw/zinc/40/53/57/638405357.db2.gz GSWNFKARELHDKB-MWLCHTKSSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC=CO1 ZINC000907590208 638413399 /nfs/dbraw/zinc/41/33/99/638413399.db2.gz MLVVKJFEFZCFED-JTQLQIEISA-N 1 2 221.260 0.761 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)CNc1cccc[nH+]1 ZINC000907665004 638437853 /nfs/dbraw/zinc/43/78/53/638437853.db2.gz VYKQNNPGRFWWND-UWVGGRQHSA-N 1 2 235.287 0.475 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOCC(F)F ZINC000907665344 638438554 /nfs/dbraw/zinc/43/85/54/638438554.db2.gz ZCENLIMCLNYFGH-UHFFFAOYSA-N 1 2 233.218 0.350 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(OC)OC ZINC000907734631 638459380 /nfs/dbraw/zinc/45/93/80/638459380.db2.gz ULHDRRDYFOPTTF-VIFPVBQESA-N 1 2 241.291 0.466 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000907818469 638475395 /nfs/dbraw/zinc/47/53/95/638475395.db2.gz OGNXBAJMKHMDLP-JZYVYDRUSA-N 1 2 205.261 0.867 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908133591 638577652 /nfs/dbraw/zinc/57/76/52/638577652.db2.gz NTZMSTVUKTZZHW-AOOOYVTPSA-N 1 2 223.276 0.588 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908190403 638597778 /nfs/dbraw/zinc/59/77/78/638597778.db2.gz CTMYNPHDSQPWLL-VIFPVBQESA-N 1 2 225.292 0.333 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NCc2c[nH+]cn2C)[C@@H]1C ZINC000908262251 638626391 /nfs/dbraw/zinc/62/63/91/638626391.db2.gz WSPLJADJTLVWGP-JMJZKYOTSA-N 1 2 237.303 0.707 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000908261037 638627040 /nfs/dbraw/zinc/62/70/40/638627040.db2.gz MFPWQEDCURNMRL-NEPJUHHUSA-N 1 2 249.314 0.851 20 0 BCADLO CCC/C=C\[C@@H](O)C(=O)NCc1c[nH+]cn1C ZINC000908260425 638627431 /nfs/dbraw/zinc/62/74/31/638627431.db2.gz KNNLNXPINXYOTE-ISALQUGTSA-N 1 2 237.303 0.754 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908287471 638634590 /nfs/dbraw/zinc/63/45/90/638634590.db2.gz KUCCHQKDRWEJSH-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)CNc1cccc[nH+]1 ZINC000908321192 638644194 /nfs/dbraw/zinc/64/41/94/638644194.db2.gz WIAWGJGJICXWHJ-JTQLQIEISA-N 1 2 249.314 0.865 20 0 BCADLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908301098 638650241 /nfs/dbraw/zinc/65/02/41/638650241.db2.gz RACBEZWFLVITJQ-VIFPVBQESA-N 1 2 211.265 0.493 20 0 BCADLO COCC(C)(C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908360158 638668006 /nfs/dbraw/zinc/66/80/06/638668006.db2.gz SMIDRWHDZQGZGJ-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000908386592 638685543 /nfs/dbraw/zinc/68/55/43/638685543.db2.gz RPRQNTZYSYKLMN-GHMZBOCLSA-N 1 2 249.314 0.961 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](O)C12CCCC2 ZINC000908401006 638696376 /nfs/dbraw/zinc/69/63/76/638696376.db2.gz PCWRXVIYXPNPTE-LLVKDONJSA-N 1 2 249.314 0.858 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000908437528 638716393 /nfs/dbraw/zinc/71/63/93/638716393.db2.gz PVNVGUHDHGBCCB-SECBINFHSA-N 1 2 225.292 0.618 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000908463436 638723222 /nfs/dbraw/zinc/72/32/22/638723222.db2.gz JCDPKDBFWQHJLE-RKDXNWHRSA-N 1 2 219.244 0.361 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000908463436 638723223 /nfs/dbraw/zinc/72/32/23/638723223.db2.gz JCDPKDBFWQHJLE-RKDXNWHRSA-N 1 2 219.244 0.361 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1CC(=O)C1 ZINC000908465003 638725076 /nfs/dbraw/zinc/72/50/76/638725076.db2.gz DNUFAZYKERGNBT-UHFFFAOYSA-N 1 2 219.244 0.341 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(=O)C1 ZINC000908466028 638728452 /nfs/dbraw/zinc/72/84/52/638728452.db2.gz TXKSVGJVCSUKRE-NXEZZACHSA-N 1 2 233.271 0.371 20 0 BCADLO O=C(NC1CC(=O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000908467649 638732093 /nfs/dbraw/zinc/73/20/93/638732093.db2.gz NSKWHSCWZNXPDM-QMMMGPOBSA-N 1 2 233.271 0.293 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC1CC(=O)C1 ZINC000908469597 638732261 /nfs/dbraw/zinc/73/22/61/638732261.db2.gz CXZRNHFLMJYXHN-UHFFFAOYSA-N 1 2 207.233 0.190 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC1CC(=O)C1 ZINC000908469597 638732266 /nfs/dbraw/zinc/73/22/66/638732266.db2.gz CXZRNHFLMJYXHN-UHFFFAOYSA-N 1 2 207.233 0.190 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1CC(=O)C1 ZINC000908472801 638738202 /nfs/dbraw/zinc/73/82/02/638738202.db2.gz PWGFYTFXTLLVJB-UHFFFAOYSA-N 1 2 221.260 0.511 20 0 BCADLO CC[N@H+](CCS(N)(=O)=O)Cc1ccoc1 ZINC000077276947 711464508 /nfs/dbraw/zinc/46/45/08/711464508.db2.gz XJABAIJARSBGAL-UHFFFAOYSA-N 1 2 232.305 0.390 20 0 BCADLO CC[N@@H+](CCS(N)(=O)=O)Cc1ccoc1 ZINC000077276947 711464512 /nfs/dbraw/zinc/46/45/12/711464512.db2.gz XJABAIJARSBGAL-UHFFFAOYSA-N 1 2 232.305 0.390 20 0 BCADLO C[C@@H](CCCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908545563 639009280 /nfs/dbraw/zinc/00/92/80/639009280.db2.gz ORRCUTPUQHKZIY-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](O)C(F)F ZINC000908556330 639013264 /nfs/dbraw/zinc/01/32/64/639013264.db2.gz YSJZHRIQGCCNPG-VXNVDRBHSA-N 1 2 247.245 0.473 20 0 BCADLO CC[C@@](C)(CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908930552 639104184 /nfs/dbraw/zinc/10/41/84/639104184.db2.gz WSOUUNIVTQWLBY-NSHDSACASA-N 1 2 225.292 0.884 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)CNc1cccc[nH+]1 ZINC000909263365 639188159 /nfs/dbraw/zinc/18/81/59/639188159.db2.gz FTQPXMJBIDTOLL-NXEZZACHSA-N 1 2 235.287 0.475 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2COC[C@@H]21 ZINC000909920991 639261771 /nfs/dbraw/zinc/26/17/71/639261771.db2.gz JYRZRKYVDACKPK-KOLCDFICSA-N 1 2 235.287 0.590 20 0 BCADLO C/C(=C/C(=O)N1CC=CC1)C[NH+]1CCOCC1 ZINC000910028236 639317307 /nfs/dbraw/zinc/31/73/07/639317307.db2.gz ZBYMPCQVJPEKNP-BENRWUELSA-N 1 2 236.315 0.663 20 0 BCADLO C/C(=C\C(=O)N1CC=CC1)C[NH+]1CCOCC1 ZINC000910028237 639317978 /nfs/dbraw/zinc/31/79/78/639317978.db2.gz ZBYMPCQVJPEKNP-ZRDIBKRKSA-N 1 2 236.315 0.663 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC=CC1 ZINC000910005635 639319992 /nfs/dbraw/zinc/31/99/92/639319992.db2.gz VNPDXZXAZKOPRH-JTQLQIEISA-N 1 2 217.272 0.844 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000910436460 639446777 /nfs/dbraw/zinc/44/67/77/639446777.db2.gz VLRWTNYFKJBWAS-BBBLOLIVSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H]1[C@H](CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910561315 639480882 /nfs/dbraw/zinc/48/08/82/639480882.db2.gz SXIVUVRZYSPMDR-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H](CO)C1 ZINC000910559103 639481800 /nfs/dbraw/zinc/48/18/00/639481800.db2.gz HYLCDEUUIOQPOO-ZJUUUORDSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1C[C@@H](CO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911183452 639588579 /nfs/dbraw/zinc/58/85/79/639588579.db2.gz RSRHOKYPINVISK-VHSXEESVSA-N 1 2 237.303 0.429 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CSC1 ZINC000911264582 639613560 /nfs/dbraw/zinc/61/35/60/639613560.db2.gz ZHYGOEPUDRYQGT-UHFFFAOYSA-N 1 2 225.317 0.822 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1(n2cccn2)CC1 ZINC000930222641 639640262 /nfs/dbraw/zinc/64/02/62/639640262.db2.gz PZTOZYQKGSSMAX-UHFFFAOYSA-N 1 2 245.286 0.385 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2cnccc2C)C1=O ZINC000930290679 639680495 /nfs/dbraw/zinc/68/04/95/639680495.db2.gz FKQOPQVFXYLMJT-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2cnccc2C)C1=O ZINC000930290679 639680503 /nfs/dbraw/zinc/68/05/03/639680503.db2.gz FKQOPQVFXYLMJT-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO CC[C@@H](CO)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000930283872 639680715 /nfs/dbraw/zinc/68/07/15/639680715.db2.gz NFVLJKFUNYGLNO-VIFPVBQESA-N 1 2 240.307 0.461 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000930288234 639681591 /nfs/dbraw/zinc/68/15/91/639681591.db2.gz SVUFQKBISKVNKR-ZJUUUORDSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000930288234 639681594 /nfs/dbraw/zinc/68/15/94/639681594.db2.gz SVUFQKBISKVNKR-ZJUUUORDSA-N 1 2 243.303 0.428 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCc1ccns1 ZINC000930339549 639699962 /nfs/dbraw/zinc/69/99/62/639699962.db2.gz YWNKNDYGHFGJGU-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCc1ccns1 ZINC000930339549 639699968 /nfs/dbraw/zinc/69/99/68/639699968.db2.gz YWNKNDYGHFGJGU-UHFFFAOYSA-N 1 2 239.344 0.896 20 0 BCADLO CCc1ncc(C[N@@H+](CC)[C@@H]2CCNC2=O)o1 ZINC000930328105 639709770 /nfs/dbraw/zinc/70/97/70/639709770.db2.gz YQGTVGAOPADZAU-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1ncc(C[N@H+](CC)[C@@H]2CCNC2=O)o1 ZINC000930328105 639709776 /nfs/dbraw/zinc/70/97/76/639709776.db2.gz YQGTVGAOPADZAU-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO c1cc(CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000930353819 639726215 /nfs/dbraw/zinc/72/62/15/639726215.db2.gz UKNNOEILAHIJFQ-AOOOYVTPSA-N 1 2 240.328 0.785 20 0 BCADLO c1cc(CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000930353819 639726223 /nfs/dbraw/zinc/72/62/23/639726223.db2.gz UKNNOEILAHIJFQ-AOOOYVTPSA-N 1 2 240.328 0.785 20 0 BCADLO CC(C)[C@](C)([NH2+]Cc1nncs1)C(N)=O ZINC000930460156 639761655 /nfs/dbraw/zinc/76/16/55/639761655.db2.gz GIHIKKLGUGZBOF-VIFPVBQESA-N 1 2 228.321 0.528 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)CCc1ccns1 ZINC000930575194 639812971 /nfs/dbraw/zinc/81/29/71/639812971.db2.gz BVUMRFGKOIJYLW-VIFPVBQESA-N 1 2 243.332 0.118 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)CCc1ccns1 ZINC000930575194 639812972 /nfs/dbraw/zinc/81/29/72/639812972.db2.gz BVUMRFGKOIJYLW-VIFPVBQESA-N 1 2 243.332 0.118 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000930603884 639817950 /nfs/dbraw/zinc/81/79/50/639817950.db2.gz SJZRUHGSUUBFCO-SFYZADRCSA-N 1 2 202.229 0.193 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000930603884 639817951 /nfs/dbraw/zinc/81/79/51/639817951.db2.gz SJZRUHGSUUBFCO-SFYZADRCSA-N 1 2 202.229 0.193 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@H]2CO)c(C)c[nH+]1 ZINC000930624938 639828321 /nfs/dbraw/zinc/82/83/21/639828321.db2.gz IXOWWLPTTJSIQT-SNVBAGLBSA-N 1 2 235.287 0.719 20 0 BCADLO Cc1cccc([C@@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000930641908 639840084 /nfs/dbraw/zinc/84/00/84/639840084.db2.gz IKDYALMEUBMUAJ-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000930641908 639840088 /nfs/dbraw/zinc/84/00/88/639840088.db2.gz IKDYALMEUBMUAJ-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncccn1 ZINC000930661204 639849698 /nfs/dbraw/zinc/84/96/98/639849698.db2.gz VSBHQXNCFVCJEA-GMTAPVOTSA-N 1 2 237.303 0.931 20 0 BCADLO CON1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000930662227 639852904 /nfs/dbraw/zinc/85/29/04/639852904.db2.gz SMNABOXXFFITLE-UHFFFAOYSA-N 1 2 222.292 0.343 20 0 BCADLO CC(C)n1cnc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000911872931 639863141 /nfs/dbraw/zinc/86/31/41/639863141.db2.gz MIRQZTUTMRRTLR-UHFFFAOYSA-N 1 2 234.263 0.763 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000911888363 639868845 /nfs/dbraw/zinc/86/88/45/639868845.db2.gz QMKRNPAPAXINOY-MXWKQRLJSA-N 1 2 247.298 0.930 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nncs1 ZINC000930703923 639869125 /nfs/dbraw/zinc/86/91/25/639869125.db2.gz GZXFYDUNJHQHJM-NKWVEPMBSA-N 1 2 215.278 0.042 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](F)C1 ZINC000911925229 639881453 /nfs/dbraw/zinc/88/14/53/639881453.db2.gz GLIOZYFBMVUCKA-QMMMGPOBSA-N 1 2 211.240 0.913 20 0 BCADLO Cc1nnsc1[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000930810944 639913178 /nfs/dbraw/zinc/91/31/78/639913178.db2.gz SAZWDOUKQMMBKG-SSDOTTSWSA-N 1 2 240.332 0.715 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]1C(F)(F)F ZINC000912093610 639943480 /nfs/dbraw/zinc/94/34/80/639943480.db2.gz NKMSLBFGDNNXIH-MRVPVSSYSA-N 1 2 249.192 0.699 20 0 BCADLO CC1(C)C[C@](C)([NH2+]C[C@@H](O)C2CC2)C(=O)O1 ZINC000930871287 639963463 /nfs/dbraw/zinc/96/34/63/639963463.db2.gz AHBCETSMMCHTJV-SKDRFNHKSA-N 1 2 227.304 0.831 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930915611 639988285 /nfs/dbraw/zinc/98/82/85/639988285.db2.gz KCBUWQPPQSPUSD-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930915611 639988290 /nfs/dbraw/zinc/98/82/90/639988290.db2.gz KCBUWQPPQSPUSD-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930915611 639988295 /nfs/dbraw/zinc/98/82/95/639988295.db2.gz KCBUWQPPQSPUSD-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930915611 639988299 /nfs/dbraw/zinc/98/82/99/639988299.db2.gz KCBUWQPPQSPUSD-USWWRNFRSA-N 1 2 237.303 0.645 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@@H](OC)C1 ZINC000931035096 640028343 /nfs/dbraw/zinc/02/83/43/640028343.db2.gz FDTNSUSJSVRBLO-LLVKDONJSA-N 1 2 233.308 0.344 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@@H](OC)C1 ZINC000931035096 640028344 /nfs/dbraw/zinc/02/83/44/640028344.db2.gz FDTNSUSJSVRBLO-LLVKDONJSA-N 1 2 233.308 0.344 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000931065104 640052669 /nfs/dbraw/zinc/05/26/69/640052669.db2.gz KYHMKHHBZORDIM-NSHDSACASA-N 1 2 249.314 0.640 20 0 BCADLO c1cnc2c(n1)CC[N@H+](CCO[C@H]1CCOC1)C2 ZINC000931065104 640052679 /nfs/dbraw/zinc/05/26/79/640052679.db2.gz KYHMKHHBZORDIM-NSHDSACASA-N 1 2 249.314 0.640 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOC2CC2)C[C@@H](C)O1 ZINC000931180322 640093222 /nfs/dbraw/zinc/09/32/22/640093222.db2.gz WWHAJSXZUKXFLM-KOLCDFICSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOC2CC2)C[C@@H](C)O1 ZINC000931180322 640093228 /nfs/dbraw/zinc/09/32/28/640093228.db2.gz WWHAJSXZUKXFLM-KOLCDFICSA-N 1 2 243.303 0.428 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931192538 640096892 /nfs/dbraw/zinc/09/68/92/640096892.db2.gz ZILBTIONBMZHDC-UHFFFAOYSA-N 1 2 249.318 0.287 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931192538 640096898 /nfs/dbraw/zinc/09/68/98/640096898.db2.gz ZILBTIONBMZHDC-UHFFFAOYSA-N 1 2 249.318 0.287 20 0 BCADLO Cn1[nH]c(=O)c2c1C[N@H+](Cc1ccno1)CC2 ZINC000931194908 640098500 /nfs/dbraw/zinc/09/85/00/640098500.db2.gz IZSDBCYJZDKZOO-UHFFFAOYSA-N 1 2 234.259 0.672 20 0 BCADLO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1ccno1)CC2 ZINC000931194908 640098507 /nfs/dbraw/zinc/09/85/07/640098507.db2.gz IZSDBCYJZDKZOO-UHFFFAOYSA-N 1 2 234.259 0.672 20 0 BCADLO COC(=O)CCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931232900 640104736 /nfs/dbraw/zinc/10/47/36/640104736.db2.gz HPUOGZONKPHBPR-UHFFFAOYSA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931232900 640104737 /nfs/dbraw/zinc/10/47/37/640104737.db2.gz HPUOGZONKPHBPR-UHFFFAOYSA-N 1 2 249.332 0.059 20 0 BCADLO C[N@H+](CC1CCC1)C1CS(=O)(=O)C1 ZINC000931234829 640107714 /nfs/dbraw/zinc/10/77/14/640107714.db2.gz ULOCKNMMHFTBDS-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO C[N@@H+](CC1CCC1)C1CS(=O)(=O)C1 ZINC000931234829 640107719 /nfs/dbraw/zinc/10/77/19/640107719.db2.gz ULOCKNMMHFTBDS-UHFFFAOYSA-N 1 2 203.307 0.515 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N(C)c2nn[nH]n2)c[nH+]1 ZINC000912617993 640124143 /nfs/dbraw/zinc/12/41/43/640124143.db2.gz WSHFBVOYMNJNGG-UHFFFAOYSA-N 1 2 249.278 0.103 20 0 BCADLO COC/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613800 640138521 /nfs/dbraw/zinc/13/85/21/640138521.db2.gz CKDQNHYMNUNUOR-SNAWJCMRSA-N 1 2 237.303 0.937 20 0 BCADLO CC/C=C(\F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912612778 640138535 /nfs/dbraw/zinc/13/85/35/640138535.db2.gz QZJIEYHJRCBAFY-OTOXVQDCSA-N 1 2 241.266 0.833 20 0 BCADLO CC(C)=C(C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912616293 640140664 /nfs/dbraw/zinc/14/06/64/640140664.db2.gz ZXCOYRDXVKUPSK-JTQLQIEISA-N 1 2 237.303 0.926 20 0 BCADLO CC(C)[C@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615274 640140830 /nfs/dbraw/zinc/14/08/30/640140830.db2.gz KEBBRVRPCWRGIY-JTQLQIEISA-N 1 2 239.319 0.751 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCn1cncn1)C2 ZINC000931313933 640150428 /nfs/dbraw/zinc/15/04/28/640150428.db2.gz RVNLKVQYQXXYJV-UHFFFAOYSA-N 1 2 246.274 0.098 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCn1cncn1)C2 ZINC000931313933 640150442 /nfs/dbraw/zinc/15/04/42/640150442.db2.gz RVNLKVQYQXXYJV-UHFFFAOYSA-N 1 2 246.274 0.098 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)CN(Cc1c[nH+]cn1C)C2 ZINC000931318356 640154739 /nfs/dbraw/zinc/15/47/39/640154739.db2.gz NLDKGTVTSWWMAE-UHFFFAOYSA-N 1 2 245.286 0.740 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000931337472 640161244 /nfs/dbraw/zinc/16/12/44/640161244.db2.gz KLGVZIFWAQUYSL-NSHDSACASA-N 1 2 241.262 0.373 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000931337472 640161249 /nfs/dbraw/zinc/16/12/49/640161249.db2.gz KLGVZIFWAQUYSL-NSHDSACASA-N 1 2 241.262 0.373 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[C@H]2C1 ZINC000912680201 640163243 /nfs/dbraw/zinc/16/32/43/640163243.db2.gz LULLAMQSUULHHV-IUCAKERBSA-N 1 2 205.261 0.821 20 0 BCADLO CC(C)CC[C@H](O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931400419 640177773 /nfs/dbraw/zinc/17/77/73/640177773.db2.gz YKHFCUUWZFHOBX-STQMWFEESA-N 1 2 244.379 0.392 20 0 BCADLO CC(C)CC[C@H](O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931400419 640177776 /nfs/dbraw/zinc/17/77/76/640177776.db2.gz YKHFCUUWZFHOBX-STQMWFEESA-N 1 2 244.379 0.392 20 0 BCADLO CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC000931397400 640180634 /nfs/dbraw/zinc/18/06/34/640180634.db2.gz OFTSEXDKOASQQA-PHIMTYICSA-N 1 2 223.320 0.043 20 0 BCADLO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC000931397400 640180638 /nfs/dbraw/zinc/18/06/38/640180638.db2.gz OFTSEXDKOASQQA-PHIMTYICSA-N 1 2 223.320 0.043 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402392 640181881 /nfs/dbraw/zinc/18/18/81/640181881.db2.gz VNULYWWJHSYSFQ-NWDGAFQWSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402392 640181889 /nfs/dbraw/zinc/18/18/89/640181889.db2.gz VNULYWWJHSYSFQ-NWDGAFQWSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402394 640183114 /nfs/dbraw/zinc/18/31/14/640183114.db2.gz VNULYWWJHSYSFQ-VXGBXAGGSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402394 640183120 /nfs/dbraw/zinc/18/31/20/640183120.db2.gz VNULYWWJHSYSFQ-VXGBXAGGSA-N 1 2 235.331 0.751 20 0 BCADLO C[N@@H+]1CCN(C(=O)C(F)=C2CCC2)[C@@H](CO)C1 ZINC000912735616 640186777 /nfs/dbraw/zinc/18/67/77/640186777.db2.gz BSSHERIFORBOFY-SNVBAGLBSA-N 1 2 242.294 0.529 20 0 BCADLO C[N@H+]1CCN(C(=O)C(F)=C2CCC2)[C@@H](CO)C1 ZINC000912735616 640186780 /nfs/dbraw/zinc/18/67/80/640186780.db2.gz BSSHERIFORBOFY-SNVBAGLBSA-N 1 2 242.294 0.529 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCOCCF ZINC000912764157 640196689 /nfs/dbraw/zinc/19/66/89/640196689.db2.gz PERBYWYWVAODEF-UHFFFAOYSA-N 1 2 241.266 0.596 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931453817 640214333 /nfs/dbraw/zinc/21/43/33/640214333.db2.gz TVKUZTLRKXAWDC-RKDXNWHRSA-N 1 2 248.330 0.996 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931453817 640214340 /nfs/dbraw/zinc/21/43/40/640214340.db2.gz TVKUZTLRKXAWDC-RKDXNWHRSA-N 1 2 248.330 0.996 20 0 BCADLO CNC(=O)C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456084 640214352 /nfs/dbraw/zinc/21/43/52/640214352.db2.gz NRDSZQFISYPSTN-ZETCQYMHSA-N 1 2 208.265 0.075 20 0 BCADLO CNC(=O)C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456084 640214356 /nfs/dbraw/zinc/21/43/56/640214356.db2.gz NRDSZQFISYPSTN-ZETCQYMHSA-N 1 2 208.265 0.075 20 0 BCADLO C[C@H]1C[N@H+](CC[S@](C)=O)Cc2c[nH]nc21 ZINC000931460997 640220107 /nfs/dbraw/zinc/22/01/07/640220107.db2.gz PKNZSTBOQJIWTH-AYVTZFPOSA-N 1 2 227.333 0.707 20 0 BCADLO C[C@H]1C[N@@H+](CC[S@](C)=O)Cc2c[nH]nc21 ZINC000931460997 640220109 /nfs/dbraw/zinc/22/01/09/640220109.db2.gz PKNZSTBOQJIWTH-AYVTZFPOSA-N 1 2 227.333 0.707 20 0 BCADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550889 640269061 /nfs/dbraw/zinc/26/90/61/640269061.db2.gz FMXGYYFKEWHHKO-YIZRAAEISA-N 1 2 243.332 0.335 20 0 BCADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550889 640269066 /nfs/dbraw/zinc/26/90/66/640269066.db2.gz FMXGYYFKEWHHKO-YIZRAAEISA-N 1 2 243.332 0.335 20 0 BCADLO CC(C)CC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913004150 640273766 /nfs/dbraw/zinc/27/37/66/640273766.db2.gz XTOMERCGZJFNFT-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO COc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)on1 ZINC000931654819 640305355 /nfs/dbraw/zinc/30/53/55/640305355.db2.gz GWNHFNNBWKUGBA-SECBINFHSA-N 1 2 239.275 0.297 20 0 BCADLO Cc1ncccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000913149795 640314009 /nfs/dbraw/zinc/31/40/09/640314009.db2.gz DETPAOHFXIHQCY-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931746386 640344704 /nfs/dbraw/zinc/34/47/04/640344704.db2.gz HIHXNZDZINKFCT-DBIOUOCHSA-N 1 2 245.319 0.266 20 0 BCADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931746386 640344711 /nfs/dbraw/zinc/34/47/11/640344711.db2.gz HIHXNZDZINKFCT-DBIOUOCHSA-N 1 2 245.319 0.266 20 0 BCADLO CCc1ncc(C[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000931747026 640348122 /nfs/dbraw/zinc/34/81/22/640348122.db2.gz OGFZRBDRVUMZJP-NXEZZACHSA-N 1 2 226.276 0.429 20 0 BCADLO CCc1ncc(C[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000931747026 640348128 /nfs/dbraw/zinc/34/81/28/640348128.db2.gz OGFZRBDRVUMZJP-NXEZZACHSA-N 1 2 226.276 0.429 20 0 BCADLO CC(C)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441885 640369127 /nfs/dbraw/zinc/36/91/27/640369127.db2.gz ULZAVMDXYDUHHJ-LLVKDONJSA-N 1 2 236.319 0.929 20 0 BCADLO CC1(C)C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913449807 640372327 /nfs/dbraw/zinc/37/23/27/640372327.db2.gz PWPUHFQTYXLNAD-GHMZBOCLSA-N 1 2 248.330 0.929 20 0 BCADLO CC(F)(F)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452656 640372475 /nfs/dbraw/zinc/37/24/75/640372475.db2.gz DYWMGIWJQPJYEL-MRVPVSSYSA-N 1 2 244.245 0.538 20 0 BCADLO CC(C)(F)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913450443 640372694 /nfs/dbraw/zinc/37/26/94/640372694.db2.gz YNWGEPUKSMJYPT-SECBINFHSA-N 1 2 240.282 0.631 20 0 BCADLO O=C(c1cc[nH]c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448787 640373184 /nfs/dbraw/zinc/37/31/84/640373184.db2.gz ZQFWPYFJANLURZ-LLVKDONJSA-N 1 2 245.286 0.525 20 0 BCADLO O=C(C1=CCCC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448091 640373337 /nfs/dbraw/zinc/37/33/37/640373337.db2.gz YCJZFQMVZAQADE-LBPRGKRZSA-N 1 2 246.314 0.993 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547369 640386874 /nfs/dbraw/zinc/38/68/74/640386874.db2.gz MOMRTIGQAOVLEF-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547369 640386883 /nfs/dbraw/zinc/38/68/83/640386883.db2.gz MOMRTIGQAOVLEF-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)C1 ZINC000913533157 640388661 /nfs/dbraw/zinc/38/86/61/640388661.db2.gz LAABAXWNCXWZDQ-GARJFASQSA-N 1 2 236.315 0.661 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)C1 ZINC000913533157 640388665 /nfs/dbraw/zinc/38/86/65/640388665.db2.gz LAABAXWNCXWZDQ-GARJFASQSA-N 1 2 236.315 0.661 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@@H]1CO ZINC000913542661 640391526 /nfs/dbraw/zinc/39/15/26/640391526.db2.gz OPOXLRRXBNBMMI-UTUOFQBUSA-N 1 2 238.331 0.167 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@@H]1CO ZINC000913542661 640391531 /nfs/dbraw/zinc/39/15/31/640391531.db2.gz OPOXLRRXBNBMMI-UTUOFQBUSA-N 1 2 238.331 0.167 20 0 BCADLO CC(C)C(C)(C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544863 640392613 /nfs/dbraw/zinc/39/26/13/640392613.db2.gz ODXQLNXOAGDQRJ-LLVKDONJSA-N 1 2 242.363 0.804 20 0 BCADLO CC(C)C(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544863 640392617 /nfs/dbraw/zinc/39/26/17/640392617.db2.gz ODXQLNXOAGDQRJ-LLVKDONJSA-N 1 2 242.363 0.804 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544833 640394065 /nfs/dbraw/zinc/39/40/65/640394065.db2.gz NLLZQAAUPZGJOG-VHSXEESVSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544833 640394075 /nfs/dbraw/zinc/39/40/75/640394075.db2.gz NLLZQAAUPZGJOG-VHSXEESVSA-N 1 2 232.299 0.115 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C)C(=O)NC(C)C)no1 ZINC000044724830 640461895 /nfs/dbraw/zinc/46/18/95/640461895.db2.gz JIDJRVNMWXJDCQ-VIFPVBQESA-N 1 2 225.292 0.986 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932261415 640463426 /nfs/dbraw/zinc/46/34/26/640463426.db2.gz PDYFIMDFYFIEPO-SNVBAGLBSA-N 1 2 222.292 0.303 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932261415 640463430 /nfs/dbraw/zinc/46/34/30/640463430.db2.gz PDYFIMDFYFIEPO-SNVBAGLBSA-N 1 2 222.292 0.303 20 0 BCADLO COC(=O)CC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000156599915 640469997 /nfs/dbraw/zinc/46/99/97/640469997.db2.gz JUHVHKJAUWWSPV-UHFFFAOYSA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000156599915 640470004 /nfs/dbraw/zinc/47/00/04/640470004.db2.gz JUHVHKJAUWWSPV-UHFFFAOYSA-N 1 2 249.332 0.059 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344361 640487466 /nfs/dbraw/zinc/48/74/66/640487466.db2.gz WGXIKXYZEBFTRO-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932344361 640487473 /nfs/dbraw/zinc/48/74/73/640487473.db2.gz WGXIKXYZEBFTRO-UWVGGRQHSA-N 1 2 224.308 0.987 20 0 BCADLO c1cnc([C@H]([NH2+]CC2OCCO2)C2CC2)nc1 ZINC000932357608 640498130 /nfs/dbraw/zinc/49/81/30/640498130.db2.gz PWIOTEOHJHCRHN-LLVKDONJSA-N 1 2 235.287 0.890 20 0 BCADLO CN1CC[C@H]([NH2+][C@@H](c2ncccn2)C2CC2)C1=O ZINC000932361162 640498595 /nfs/dbraw/zinc/49/85/95/640498595.db2.gz STMSYBRHUJETRR-WDEREUQCSA-N 1 2 246.314 0.748 20 0 BCADLO CCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001030035926 640522630 /nfs/dbraw/zinc/52/26/30/640522630.db2.gz AONHBDAYTQKDAM-UHFFFAOYSA-N 1 2 236.319 0.173 20 0 BCADLO CC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030038626 640527396 /nfs/dbraw/zinc/52/73/96/640527396.db2.gz OATSIEUFFIYSOM-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CCC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030040364 640533622 /nfs/dbraw/zinc/53/36/22/640533622.db2.gz QXRWFNHHLXIROR-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CCC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001030040373 640533894 /nfs/dbraw/zinc/53/38/94/640533894.db2.gz RGIBKIFLZDSRDC-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)C1CCC1 ZINC001030043083 640536594 /nfs/dbraw/zinc/53/65/94/640536594.db2.gz CTHXBLKTKNZTSD-UHFFFAOYSA-N 1 2 214.284 0.947 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048342 640542727 /nfs/dbraw/zinc/54/27/27/640542727.db2.gz BZHOSLPXDPNIHQ-MRVPVSSYSA-N 1 2 232.299 0.570 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030049736 640543755 /nfs/dbraw/zinc/54/37/55/640543755.db2.gz PMAZXNQEKMGTNZ-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nnc(C)s1 ZINC000932479503 640545532 /nfs/dbraw/zinc/54/55/32/640545532.db2.gz BOGODNHDSZKLJY-UHFFFAOYSA-N 1 2 228.321 0.544 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nnc(C)s1 ZINC000932479503 640545539 /nfs/dbraw/zinc/54/55/39/640545539.db2.gz BOGODNHDSZKLJY-UHFFFAOYSA-N 1 2 228.321 0.544 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCC(N)=O)[nH]1 ZINC000932479077 640547047 /nfs/dbraw/zinc/54/70/47/640547047.db2.gz QRIDCUHQYWMXIB-UHFFFAOYSA-N 1 2 225.296 0.064 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCC(N)=O)[nH]1 ZINC000932479077 640547049 /nfs/dbraw/zinc/54/70/49/640547049.db2.gz QRIDCUHQYWMXIB-UHFFFAOYSA-N 1 2 225.296 0.064 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030056123 640553065 /nfs/dbraw/zinc/55/30/65/640553065.db2.gz NDILJGOKKSVPNO-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2COC[C@H]2C)no1 ZINC000932495843 640558728 /nfs/dbraw/zinc/55/87/28/640558728.db2.gz AHFQGIQYIYILBY-HTQZYQBOSA-N 1 2 211.265 0.757 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2COC[C@@H]2C)no1 ZINC000932495844 640558819 /nfs/dbraw/zinc/55/88/19/640558819.db2.gz AHFQGIQYIYILBY-JGVFFNPUSA-N 1 2 211.265 0.757 20 0 BCADLO COC(C[N@@H+]1CCn2cccc2C1)OC ZINC000932525321 640563291 /nfs/dbraw/zinc/56/32/91/640563291.db2.gz GGINQOFAPBPMDX-UHFFFAOYSA-N 1 2 210.277 0.923 20 0 BCADLO COC(C[N@H+]1CCn2cccc2C1)OC ZINC000932525321 640563299 /nfs/dbraw/zinc/56/32/99/640563299.db2.gz GGINQOFAPBPMDX-UHFFFAOYSA-N 1 2 210.277 0.923 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cnc[nH]1 ZINC000157058047 640565623 /nfs/dbraw/zinc/56/56/23/640565623.db2.gz XSKQFTCPIAPULJ-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO O=C1CCC(=O)N1CC[N@@H+]1CCn2cccc2C1 ZINC000932528528 640568886 /nfs/dbraw/zinc/56/88/86/640568886.db2.gz GMGGXQZDUCRXNZ-UHFFFAOYSA-N 1 2 247.298 0.453 20 0 BCADLO O=C1CCC(=O)N1CC[N@H+]1CCn2cccc2C1 ZINC000932528528 640568888 /nfs/dbraw/zinc/56/88/88/640568888.db2.gz GMGGXQZDUCRXNZ-UHFFFAOYSA-N 1 2 247.298 0.453 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCn2cccc2C1 ZINC000932530143 640570776 /nfs/dbraw/zinc/57/07/76/640570776.db2.gz HBUIIJHKQLJPJA-JTQLQIEISA-N 1 2 221.304 0.780 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCn2cccc2C1 ZINC000932530143 640570783 /nfs/dbraw/zinc/57/07/83/640570783.db2.gz HBUIIJHKQLJPJA-JTQLQIEISA-N 1 2 221.304 0.780 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030077158 640579941 /nfs/dbraw/zinc/57/99/41/640579941.db2.gz YUWBVRSSRAVRJI-PWSUYJOCSA-N 1 2 248.330 0.340 20 0 BCADLO CSCC1CC[NH+](Cc2nnnn2C)CC1 ZINC000932592508 640580972 /nfs/dbraw/zinc/58/09/72/640580972.db2.gz ZDUUWXPNFHGCAO-UHFFFAOYSA-N 1 2 241.364 0.785 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030088209 640585519 /nfs/dbraw/zinc/58/55/19/640585519.db2.gz DYPAAFLXBCFDGO-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO O=C(C[C@@H]1C=CCC1)NC1C[NH+](CCCO)C1 ZINC001030090975 640587082 /nfs/dbraw/zinc/58/70/82/640587082.db2.gz ZYRVZJQHBOZPSV-LLVKDONJSA-N 1 2 238.331 0.526 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)noc2C)C1 ZINC001030097995 640591866 /nfs/dbraw/zinc/59/18/66/640591866.db2.gz MMVVTSQWUMDJPO-UHFFFAOYSA-N 1 2 223.276 0.725 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030100033 640593885 /nfs/dbraw/zinc/59/38/85/640593885.db2.gz ZHISZHTUUNKTFB-WDEREUQCSA-N 1 2 238.331 0.524 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000932640169 640594102 /nfs/dbraw/zinc/59/41/02/640594102.db2.gz VOAPQAGMOBOBQF-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000932640169 640594105 /nfs/dbraw/zinc/59/41/05/640594105.db2.gz VOAPQAGMOBOBQF-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100175 640594311 /nfs/dbraw/zinc/59/43/11/640594311.db2.gz NJPRCVWLSYBPCQ-UHFFFAOYSA-N 1 2 223.276 0.075 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000932643413 640595746 /nfs/dbraw/zinc/59/57/46/640595746.db2.gz XNNDIHIHXWEIPR-JTQLQIEISA-N 1 2 235.287 0.862 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000932643413 640595755 /nfs/dbraw/zinc/59/57/55/640595755.db2.gz XNNDIHIHXWEIPR-JTQLQIEISA-N 1 2 235.287 0.862 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2C)C1 ZINC001030106924 640595990 /nfs/dbraw/zinc/59/59/90/640595990.db2.gz KGESJWRTKKAASS-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO O=Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)co1 ZINC000932827784 640614404 /nfs/dbraw/zinc/61/44/04/640614404.db2.gz ZFTYMZPMWLYXDM-UHFFFAOYSA-N 1 2 245.238 0.986 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030131338 640624131 /nfs/dbraw/zinc/62/41/31/640624131.db2.gz QOSJRKHWEMFYGE-UWVGGRQHSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@@H]1C(=O)CCCN1CCn1cc[nH+]c1 ZINC000932852538 640625070 /nfs/dbraw/zinc/62/50/70/640625070.db2.gz WRQRWAOANLPMBV-SNVBAGLBSA-N 1 2 207.277 0.937 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ncoc2C)C1 ZINC001030136110 640626422 /nfs/dbraw/zinc/62/64/22/640626422.db2.gz YIFYUKDNQQMXCR-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)n(C)n2)C1 ZINC001030140219 640627436 /nfs/dbraw/zinc/62/74/36/640627436.db2.gz XZNSHBSSVZGUTN-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CCCOC1 ZINC001030148037 640633358 /nfs/dbraw/zinc/63/33/58/640633358.db2.gz NEZOGDOJIKXBGK-JTQLQIEISA-N 1 2 244.310 0.573 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2=COCCC2)C1 ZINC001030151772 640637028 /nfs/dbraw/zinc/63/70/28/640637028.db2.gz RAUGSBROKPFDPZ-UHFFFAOYSA-N 1 2 240.303 0.128 20 0 BCADLO O=C(CC1=CCCCC1)NC1C[NH+](CCO)C1 ZINC001030159236 640643195 /nfs/dbraw/zinc/64/31/95/640643195.db2.gz ZYVZUYOZENLYPV-UHFFFAOYSA-N 1 2 238.331 0.670 20 0 BCADLO Cc1ncc(C[N@@H+]2C3CCC2(C(N)=O)CC3)cn1 ZINC000932935647 640644949 /nfs/dbraw/zinc/64/49/49/640644949.db2.gz CIORLEKAXXWHQK-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1ncc(C[N@H+]2C3CCC2(C(N)=O)CC3)cn1 ZINC000932935647 640644954 /nfs/dbraw/zinc/64/49/54/640644954.db2.gz CIORLEKAXXWHQK-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1nccc(C[N@@H+]2C3CCC2(C(N)=O)CC3)n1 ZINC000932934385 640648690 /nfs/dbraw/zinc/64/86/90/640648690.db2.gz INVWYZHWJVYHDK-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1nccc(C[N@H+]2C3CCC2(C(N)=O)CC3)n1 ZINC000932934385 640648692 /nfs/dbraw/zinc/64/86/92/640648692.db2.gz INVWYZHWJVYHDK-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C)nc2C)C1 ZINC001030164833 640650241 /nfs/dbraw/zinc/65/02/41/640650241.db2.gz VWRQJBXRXLOSBF-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030176127 640660788 /nfs/dbraw/zinc/66/07/88/640660788.db2.gz ZIBKCVOVGLRFRB-SNVBAGLBSA-N 1 2 238.331 0.788 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnccc2C)C1 ZINC001030179220 640662984 /nfs/dbraw/zinc/66/29/84/640662984.db2.gz NJLCONDOSMPLFL-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001030187489 640666290 /nfs/dbraw/zinc/66/62/90/640666290.db2.gz SZQBCJYNWMPWHA-GDNZZTSVSA-N 1 2 238.331 0.215 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCOCCO ZINC000933159345 640672511 /nfs/dbraw/zinc/67/25/11/640672511.db2.gz HEMAXRVCUWIXSI-PWSUYJOCSA-N 1 2 243.303 0.023 20 0 BCADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCOCCO ZINC000933159345 640672516 /nfs/dbraw/zinc/67/25/16/640672516.db2.gz HEMAXRVCUWIXSI-PWSUYJOCSA-N 1 2 243.303 0.023 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001030222388 640691969 /nfs/dbraw/zinc/69/19/69/640691969.db2.gz BZJYHZRCRGSDKY-JTQLQIEISA-N 1 2 226.320 0.479 20 0 BCADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000933291064 640698642 /nfs/dbraw/zinc/69/86/42/640698642.db2.gz XJAQJAZZCIJHMJ-SNVBAGLBSA-N 1 2 236.319 0.804 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCOC[C@H]1COC ZINC000933328480 640703822 /nfs/dbraw/zinc/70/38/22/640703822.db2.gz FNALKFYRLVRCLV-CSXHZRMWSA-N 1 2 229.320 0.926 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCOC[C@H]1COC ZINC000933328480 640703829 /nfs/dbraw/zinc/70/38/29/640703829.db2.gz FNALKFYRLVRCLV-CSXHZRMWSA-N 1 2 229.320 0.926 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nccc(C)n2)C1 ZINC001030264901 640716120 /nfs/dbraw/zinc/71/61/20/640716120.db2.gz LBYOZPGCJPGRJG-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538332 640723980 /nfs/dbraw/zinc/72/39/80/640723980.db2.gz HPOMMCHIRLZRCF-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538332 640723989 /nfs/dbraw/zinc/72/39/89/640723989.db2.gz HPOMMCHIRLZRCF-ONGXEEELSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538328 640724173 /nfs/dbraw/zinc/72/41/73/640724173.db2.gz HPOMMCHIRLZRCF-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538328 640724176 /nfs/dbraw/zinc/72/41/76/640724176.db2.gz HPOMMCHIRLZRCF-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO Cc1cnccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030286015 640729644 /nfs/dbraw/zinc/72/96/44/640729644.db2.gz MYBYEGXLTLTSST-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030351176 640782704 /nfs/dbraw/zinc/78/27/04/640782704.db2.gz SIHDMFDQJIQLHJ-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO Cn1nccc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968270 640796972 /nfs/dbraw/zinc/79/69/72/640796972.db2.gz KEPKWVDRHYALKC-NWDGAFQWSA-N 1 2 237.303 0.410 20 0 BCADLO Cn1nccc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968270 640796974 /nfs/dbraw/zinc/79/69/74/640796974.db2.gz KEPKWVDRHYALKC-NWDGAFQWSA-N 1 2 237.303 0.410 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COC(F)(F)F ZINC000933991195 640799125 /nfs/dbraw/zinc/79/91/25/640799125.db2.gz YYQQEBZHNBXOGY-UHFFFAOYSA-N 1 2 237.181 0.871 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001030380934 640808011 /nfs/dbraw/zinc/80/80/11/640808011.db2.gz YVDVVRKEJMFXKV-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO Cc1nonc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000227016621 640808718 /nfs/dbraw/zinc/80/87/18/640808718.db2.gz MZWKDYRGYMXHDM-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(F)cncc2F)C1 ZINC001030380303 640809906 /nfs/dbraw/zinc/80/99/06/640809906.db2.gz WTJKZXRVEPURLK-UHFFFAOYSA-N 1 2 241.241 0.794 20 0 BCADLO CCOc1ccc(C(=O)NC2C[NH+](CC)C2)cn1 ZINC001030399501 640821269 /nfs/dbraw/zinc/82/12/69/640821269.db2.gz WQPFHJRPTXGSLU-UHFFFAOYSA-N 1 2 249.314 0.914 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncc(C)cc2OC)C1 ZINC001030455710 640866544 /nfs/dbraw/zinc/86/65/44/640866544.db2.gz DALLHUWQDPZXDH-UHFFFAOYSA-N 1 2 249.314 0.833 20 0 BCADLO CCc1nn(C)cc1C(=O)NC1C[NH+](CC)C1 ZINC001030487864 640877351 /nfs/dbraw/zinc/87/73/51/640877351.db2.gz BXVLXGDDVBPRLG-UHFFFAOYSA-N 1 2 236.319 0.416 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001030499823 640886485 /nfs/dbraw/zinc/88/64/85/640886485.db2.gz ATSRCWDBGANOFD-SECBINFHSA-N 1 2 248.273 0.479 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001030499343 640886761 /nfs/dbraw/zinc/88/67/61/640886761.db2.gz JTXLUXLREZHSQV-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC1(F)F ZINC001030500755 640887400 /nfs/dbraw/zinc/88/74/00/640887400.db2.gz LVOKJHRSIKPKCR-SECBINFHSA-N 1 2 248.273 0.215 20 0 BCADLO O=C(C[C@@H]1C=CCCC1)NC1C[NH+](CCO)C1 ZINC001030510873 640890495 /nfs/dbraw/zinc/89/04/95/640890495.db2.gz DRGZJWURUSHEIU-LLVKDONJSA-N 1 2 238.331 0.526 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NC2C[NH+](CCCF)C2)CO1 ZINC001030557051 640910445 /nfs/dbraw/zinc/91/04/45/640910445.db2.gz JFJZHTJWWMWULP-ZJUUUORDSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001030560402 640911469 /nfs/dbraw/zinc/91/14/69/640911469.db2.gz KAEWZBOZCNSFEN-GHMZBOCLSA-N 1 2 226.320 0.622 20 0 BCADLO CNc1cc(N[C@@H](C)C[S@](C)=O)[nH+]cn1 ZINC000229090903 640921142 /nfs/dbraw/zinc/92/11/42/640921142.db2.gz FEIAJKNMKNOLLX-ZIDLFYJRSA-N 1 2 228.321 0.697 20 0 BCADLO COCC[NH2+]Cc1nc(C2(C)CC2)no1 ZINC000087548367 640922305 /nfs/dbraw/zinc/92/23/05/640922305.db2.gz PCIXTVXYSWVFOH-UHFFFAOYSA-N 1 2 211.265 0.857 20 0 BCADLO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1cscn1 ZINC000229130195 640925255 /nfs/dbraw/zinc/92/52/55/640925255.db2.gz QXDAKUJWNDJUIO-BQBZGAKWSA-N 1 2 239.300 0.599 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(OC)c2)C1 ZINC001030593182 640941968 /nfs/dbraw/zinc/94/19/68/640941968.db2.gz BFZNFVWOKUHHJI-UHFFFAOYSA-N 1 2 235.287 0.524 20 0 BCADLO CC(C)CC[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030600276 640949641 /nfs/dbraw/zinc/94/96/41/640949641.db2.gz UPNYCLCVTIUHEY-UHFFFAOYSA-N 1 2 237.307 0.265 20 0 BCADLO CC(C)CC[NH+]1CC(NC(=O)c2cnn[nH]2)C1 ZINC001030600276 640949644 /nfs/dbraw/zinc/94/96/44/640949644.db2.gz UPNYCLCVTIUHEY-UHFFFAOYSA-N 1 2 237.307 0.265 20 0 BCADLO CCNC(=O)C[N@H+](C)C/C=C/C(=O)OCC ZINC000087638748 640951166 /nfs/dbraw/zinc/95/11/66/640951166.db2.gz GZCRUHMIFNUAGW-VOTSOKGWSA-N 1 2 228.292 0.174 20 0 BCADLO CCNC(=O)C[N@@H+](C)C/C=C/C(=O)OCC ZINC000087638748 640951167 /nfs/dbraw/zinc/95/11/67/640951167.db2.gz GZCRUHMIFNUAGW-VOTSOKGWSA-N 1 2 228.292 0.174 20 0 BCADLO COC(C[N@@H+]1CCC(=O)[C@@H](C)C1)OC ZINC000229541792 640965681 /nfs/dbraw/zinc/96/56/81/640965681.db2.gz POXTVTMBUZMGJB-QMMMGPOBSA-N 1 2 201.266 0.516 20 0 BCADLO COC(C[N@H+]1CCC(=O)[C@@H](C)C1)OC ZINC000229541792 640965685 /nfs/dbraw/zinc/96/56/85/640965685.db2.gz POXTVTMBUZMGJB-QMMMGPOBSA-N 1 2 201.266 0.516 20 0 BCADLO CC[C@H](O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000229580454 640968018 /nfs/dbraw/zinc/96/80/18/640968018.db2.gz BGAOKSYQPJQGKI-JTQLQIEISA-N 1 2 221.264 0.618 20 0 BCADLO Cn1cncc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030623426 640987281 /nfs/dbraw/zinc/98/72/81/640987281.db2.gz KLJOHKICWUJSGW-UHFFFAOYSA-N 1 2 240.282 0.194 20 0 BCADLO CNc1cc(N(C)CCCOC)nc[nH+]1 ZINC000087828948 641057923 /nfs/dbraw/zinc/05/79/23/641057923.db2.gz UKNGCAQDUXKMIH-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO CNc1cc(N(C)CCCOC)[nH+]cn1 ZINC000087828948 641057924 /nfs/dbraw/zinc/05/79/24/641057924.db2.gz UKNGCAQDUXKMIH-UHFFFAOYSA-N 1 2 210.281 0.991 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000934111759 641074080 /nfs/dbraw/zinc/07/40/80/641074080.db2.gz OPLBOQABPPQAGB-NXEZZACHSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000934111759 641074085 /nfs/dbraw/zinc/07/40/85/641074085.db2.gz OPLBOQABPPQAGB-NXEZZACHSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)CCS(=O)(=O)C(C)C ZINC000934117128 641080737 /nfs/dbraw/zinc/08/07/37/641080737.db2.gz ZHDYAFXUHMHQAD-MNOVXSKESA-N 1 2 249.376 0.919 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000934117128 641080745 /nfs/dbraw/zinc/08/07/45/641080745.db2.gz ZHDYAFXUHMHQAD-MNOVXSKESA-N 1 2 249.376 0.919 20 0 BCADLO CC1(C)OCC([NH2+]Cc2ncc[nH]2)CO1 ZINC000230695246 641082453 /nfs/dbraw/zinc/08/24/53/641082453.db2.gz VHOOGQOKIIMDIK-UHFFFAOYSA-N 1 2 211.265 0.651 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001030667042 641109932 /nfs/dbraw/zinc/10/99/32/641109932.db2.gz ZVJINDIFJJRMQP-YPMHNXCESA-N 1 2 238.331 0.766 20 0 BCADLO c1[nH]nnc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934391053 641138977 /nfs/dbraw/zinc/13/89/77/641138977.db2.gz MFRQDLGLCOXCTK-SNVBAGLBSA-N 1 2 222.292 0.996 20 0 BCADLO c1n[nH]nc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934391053 641138983 /nfs/dbraw/zinc/13/89/83/641138983.db2.gz MFRQDLGLCOXCTK-SNVBAGLBSA-N 1 2 222.292 0.996 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934405092 641141037 /nfs/dbraw/zinc/14/10/37/641141037.db2.gz GYUPUOVLBFTFGS-NXEZZACHSA-N 1 2 243.303 0.476 20 0 BCADLO C[C@@]1(C2CC2)COCC[N@@H+]1CC(=O)NC1CC1 ZINC000934485098 641170529 /nfs/dbraw/zinc/17/05/29/641170529.db2.gz YLZUDAMAJPVQSJ-ZDUSSCGKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@]1(C2CC2)COCC[N@H+]1CC(=O)NC1CC1 ZINC000934485098 641170532 /nfs/dbraw/zinc/17/05/32/641170532.db2.gz YLZUDAMAJPVQSJ-ZDUSSCGKSA-N 1 2 238.331 0.766 20 0 BCADLO O[C@H]1CC[N@H+](CCOC(F)F)C[C@@H]1F ZINC000934561719 641194173 /nfs/dbraw/zinc/19/41/73/641194173.db2.gz TUPXFDZSVBSUFN-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO O[C@H]1CC[N@@H+](CCOC(F)F)C[C@@H]1F ZINC000934561719 641194177 /nfs/dbraw/zinc/19/41/77/641194177.db2.gz TUPXFDZSVBSUFN-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934565107 641196704 /nfs/dbraw/zinc/19/67/04/641196704.db2.gz AKKFALFDSCBYGT-ZJUUUORDSA-N 1 2 233.283 0.734 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934565107 641196708 /nfs/dbraw/zinc/19/67/08/641196708.db2.gz AKKFALFDSCBYGT-ZJUUUORDSA-N 1 2 233.283 0.734 20 0 BCADLO O=C1CCCN1CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934580098 641207728 /nfs/dbraw/zinc/20/77/28/641207728.db2.gz IRTXLJYFJQVYJB-NXEZZACHSA-N 1 2 230.283 0.014 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934580098 641207733 /nfs/dbraw/zinc/20/77/33/641207733.db2.gz IRTXLJYFJQVYJB-NXEZZACHSA-N 1 2 230.283 0.014 20 0 BCADLO CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000088023655 641254722 /nfs/dbraw/zinc/25/47/22/641254722.db2.gz OXEBXFJZJOLOPC-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000088023655 641254728 /nfs/dbraw/zinc/25/47/28/641254728.db2.gz OXEBXFJZJOLOPC-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO C[C@]12CSC[C@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC000934766421 641261858 /nfs/dbraw/zinc/26/18/58/641261858.db2.gz QBELUAXAEZJTRR-SCZZXKLOSA-N 1 2 224.333 0.990 20 0 BCADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000934766421 641261861 /nfs/dbraw/zinc/26/18/61/641261861.db2.gz QBELUAXAEZJTRR-SCZZXKLOSA-N 1 2 224.333 0.990 20 0 BCADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000934766421 641261874 /nfs/dbraw/zinc/26/18/74/641261874.db2.gz QBELUAXAEZJTRR-SCZZXKLOSA-N 1 2 224.333 0.990 20 0 BCADLO C[C@]12CSC[C@H]1C[N@H+](Cc1cn[nH]n1)C2 ZINC000934766421 641261878 /nfs/dbraw/zinc/26/18/78/641261878.db2.gz QBELUAXAEZJTRR-SCZZXKLOSA-N 1 2 224.333 0.990 20 0 BCADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000934766421 641261882 /nfs/dbraw/zinc/26/18/82/641261882.db2.gz QBELUAXAEZJTRR-SCZZXKLOSA-N 1 2 224.333 0.990 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810517 641277556 /nfs/dbraw/zinc/27/75/56/641277556.db2.gz GJXHRLQZBIMATR-OAQKJQOQSA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000934810517 641277571 /nfs/dbraw/zinc/27/75/71/641277571.db2.gz GJXHRLQZBIMATR-OAQKJQOQSA-N 1 2 240.303 0.316 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@]12C[C@H]1CCC2 ZINC000935016281 641318505 /nfs/dbraw/zinc/31/85/05/641318505.db2.gz ONJJNWOBTWCJTJ-MBNYWOFBSA-N 1 2 249.358 0.293 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1csnn1 ZINC001030754955 641335500 /nfs/dbraw/zinc/33/55/00/641335500.db2.gz IRHJCNSTRFQKKT-UHFFFAOYSA-N 1 2 244.295 0.312 20 0 BCADLO CCCc1cc(C(=O)NC2C[NH+](CC)C2)[nH]n1 ZINC001030770912 641344832 /nfs/dbraw/zinc/34/48/32/641344832.db2.gz LNMHCEHUJQURQT-UHFFFAOYSA-N 1 2 236.319 0.796 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801814 641359256 /nfs/dbraw/zinc/35/92/56/641359256.db2.gz FDGZIMGCWCAXGB-NGZCFLSTSA-N 1 2 226.320 0.478 20 0 BCADLO CC1(C)CC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030815163 641365250 /nfs/dbraw/zinc/36/52/50/641365250.db2.gz HTSDJRVBXWMTOK-JTQLQIEISA-N 1 2 226.320 0.215 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001030817910 641365538 /nfs/dbraw/zinc/36/55/38/641365538.db2.gz GBTOCJZKLVTYBZ-URLYPYJESA-N 1 2 238.331 0.479 20 0 BCADLO CC[NH+]1CC(NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001030836235 641375295 /nfs/dbraw/zinc/37/52/95/641375295.db2.gz IVPCGYHECYFZOE-UHFFFAOYSA-N 1 2 249.314 0.835 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001030851940 641382906 /nfs/dbraw/zinc/38/29/06/641382906.db2.gz ADASGOQUEZFGKF-RKDXNWHRSA-N 1 2 214.284 0.945 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@H](F)C1 ZINC001030854975 641384693 /nfs/dbraw/zinc/38/46/93/641384693.db2.gz FHIRRLBCVUACDL-ZJUUUORDSA-N 1 2 244.310 0.307 20 0 BCADLO CC[C@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000935328793 641387772 /nfs/dbraw/zinc/38/77/72/641387772.db2.gz BYGFKNJOMKOCLS-NSHDSACASA-N 1 2 225.292 0.240 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccnc2C)C1 ZINC001030874811 641395865 /nfs/dbraw/zinc/39/58/65/641395865.db2.gz GBHRIZGRRDMZBW-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001030898629 641410229 /nfs/dbraw/zinc/41/02/29/641410229.db2.gz VXLOZOOMPAKIIP-ZJUUUORDSA-N 1 2 226.320 0.479 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000935479539 641416741 /nfs/dbraw/zinc/41/67/41/641416741.db2.gz YLAHIWGRICSELT-UHFFFAOYSA-N 1 2 235.287 0.197 20 0 BCADLO CCn1cc(C(=O)NC2C[NH+](C(C)C)C2)nn1 ZINC000935478825 641416783 /nfs/dbraw/zinc/41/67/83/641416783.db2.gz CBTVVJXYXOOUCO-UHFFFAOYSA-N 1 2 237.307 0.120 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935486855 641417583 /nfs/dbraw/zinc/41/75/83/641417583.db2.gz SQSFUWJFOOFFMM-ZJUUUORDSA-N 1 2 237.303 0.475 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001030918840 641421823 /nfs/dbraw/zinc/42/18/23/641421823.db2.gz QDFUDXTVZCHPIE-ONGXEEELSA-N 1 2 226.320 0.479 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829279510 641425836 /nfs/dbraw/zinc/42/58/36/641425836.db2.gz KSCKLQZSFPSYSY-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO CS(C)(=O)=NC(=O)CCn1cc[nH+]c1 ZINC000913644352 641449874 /nfs/dbraw/zinc/44/98/74/641449874.db2.gz LEDUGKJLEPHEBE-UHFFFAOYSA-N 1 2 215.278 0.527 20 0 BCADLO COC(=O)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913751987 641465433 /nfs/dbraw/zinc/46/54/33/641465433.db2.gz YKJVRMRPQGMPFU-UHFFFAOYSA-N 1 2 237.259 0.020 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913784589 641473765 /nfs/dbraw/zinc/47/37/65/641473765.db2.gz IIPATWONIMVUQQ-BDAKNGLRSA-N 1 2 225.292 0.618 20 0 BCADLO COC(=O)C[N@H+](CC[C@@H]1CCOC1=O)C1CC1 ZINC000753846725 641479698 /nfs/dbraw/zinc/47/96/98/641479698.db2.gz JFBDWGFLGCKUCU-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)C[N@@H+](CC[C@@H]1CCOC1=O)C1CC1 ZINC000753846725 641479700 /nfs/dbraw/zinc/47/97/00/641479700.db2.gz JFBDWGFLGCKUCU-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO CC1(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)COC1 ZINC000935924987 641502994 /nfs/dbraw/zinc/50/29/94/641502994.db2.gz QVMKIYWLIGZNRY-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CCC[C@H](O)C(=O)NCc1c[nH+]cn1C ZINC000936024089 641519771 /nfs/dbraw/zinc/51/97/71/641519771.db2.gz DNFDABUJAHEIKB-VIFPVBQESA-N 1 2 211.265 0.197 20 0 BCADLO CNC(=O)c1cc(NCCn2cc[nH+]c2)ccn1 ZINC000041064144 641541200 /nfs/dbraw/zinc/54/12/00/641541200.db2.gz JMKBZHDZPQYEPK-UHFFFAOYSA-N 1 2 245.286 0.750 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030976431 641553370 /nfs/dbraw/zinc/55/33/70/641553370.db2.gz JYCXARMPFPIOBD-KOLCDFICSA-N 1 2 244.310 0.571 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C(F)F)c1 ZINC000313290164 641555767 /nfs/dbraw/zinc/55/57/67/641555767.db2.gz FERUZQGZKGWNNF-UHFFFAOYSA-N 1 2 203.192 0.344 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030979662 641557989 /nfs/dbraw/zinc/55/79/89/641557989.db2.gz NWAZQFNPZOXVDC-MWLCHTKSSA-N 1 2 226.320 0.215 20 0 BCADLO CC[NH+]1CC(NC(=O)c2noc3c2CCCC3)C1 ZINC001031002761 641580970 /nfs/dbraw/zinc/58/09/70/641580970.db2.gz PLDSHJQGBNOVDV-UHFFFAOYSA-N 1 2 249.314 0.987 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006710 641583287 /nfs/dbraw/zinc/58/32/87/641583287.db2.gz VWFOVHRKLDVHJV-KOLCDFICSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031022384 641600336 /nfs/dbraw/zinc/60/03/36/641600336.db2.gz DIZVZPUPCQEBIF-KOLCDFICSA-N 1 2 238.331 0.358 20 0 BCADLO CCCNc1cc(NC[C@@](C)(O)CO)nc[nH+]1 ZINC000156734266 641610465 /nfs/dbraw/zinc/61/04/65/641610465.db2.gz ONOOGSXQTOKCIE-LLVKDONJSA-N 1 2 240.307 0.454 20 0 BCADLO CCCNc1cc(NC[C@@](C)(O)CO)[nH+]cn1 ZINC000156734266 641610468 /nfs/dbraw/zinc/61/04/68/641610468.db2.gz ONOOGSXQTOKCIE-LLVKDONJSA-N 1 2 240.307 0.454 20 0 BCADLO O=C(/C=C\c1ncc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000493743624 641638227 /nfs/dbraw/zinc/63/82/27/641638227.db2.gz DJONJCXXJJCQLK-UPHRSURJSA-N 1 2 243.270 0.703 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001031044257 641640028 /nfs/dbraw/zinc/64/00/28/641640028.db2.gz RXUMSCXPLIXFOY-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(F)CC1 ZINC000914430216 641670366 /nfs/dbraw/zinc/67/03/66/641670366.db2.gz TWDGKNKVDNEGHN-UHFFFAOYSA-N 1 2 211.240 0.844 20 0 BCADLO C[C@H]1C[N@@H+](Cn2ncn(C)c2=O)CC[C@@H]1C ZINC000159950255 641707247 /nfs/dbraw/zinc/70/72/47/641707247.db2.gz NBDQHFHMIYMTGV-UWVGGRQHSA-N 1 2 224.308 0.517 20 0 BCADLO C[C@H]1C[N@H+](Cn2ncn(C)c2=O)CC[C@@H]1C ZINC000159950255 641707251 /nfs/dbraw/zinc/70/72/51/641707251.db2.gz NBDQHFHMIYMTGV-UWVGGRQHSA-N 1 2 224.308 0.517 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc(C)nc2C)C1 ZINC001031118735 641716630 /nfs/dbraw/zinc/71/66/30/641716630.db2.gz NJLDBBCJKXKWPA-UHFFFAOYSA-N 1 2 234.303 0.527 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)c1c[nH]cc1C1CC1 ZINC001031165421 641759273 /nfs/dbraw/zinc/75/92/73/641759273.db2.gz HVTBGTKMGZKAQT-UHFFFAOYSA-N 1 2 249.314 0.298 20 0 BCADLO CC(C)[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031169216 641765695 /nfs/dbraw/zinc/76/56/95/641765695.db2.gz ADXPAYKWEZZECQ-MNOVXSKESA-N 1 2 226.320 0.071 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031174962 641773365 /nfs/dbraw/zinc/77/33/65/641773365.db2.gz JNDVIRPXYRBRAD-ZYHUDNBSSA-N 1 2 226.320 0.215 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031175652 641773491 /nfs/dbraw/zinc/77/34/91/641773491.db2.gz OLQOHRFGONBXSB-YPMHNXCESA-N 1 2 240.347 0.605 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031175649 641773672 /nfs/dbraw/zinc/77/36/72/641773672.db2.gz OLQOHRFGONBXSB-AAEUAGOBSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC001031190769 641793346 /nfs/dbraw/zinc/79/33/46/641793346.db2.gz MWEPREFZSPANGD-UHFFFAOYSA-N 1 2 235.287 0.986 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3nccn3c2)C1 ZINC001031239470 641838139 /nfs/dbraw/zinc/83/81/39/641838139.db2.gz RAJMSZUMRIZCEA-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO C[C@H](c1ccco1)[N@H+](C)CCS(N)(=O)=O ZINC000077272454 641842313 /nfs/dbraw/zinc/84/23/13/641842313.db2.gz VBWHCROPDRSGOO-MRVPVSSYSA-N 1 2 232.305 0.561 20 0 BCADLO C[C@H](c1ccco1)[N@@H+](C)CCS(N)(=O)=O ZINC000077272454 641842317 /nfs/dbraw/zinc/84/23/17/641842317.db2.gz VBWHCROPDRSGOO-MRVPVSSYSA-N 1 2 232.305 0.561 20 0 BCADLO CCC(=O)CC[NH+]1CCN([C@H](CC)CO)CC1 ZINC000190254754 641855216 /nfs/dbraw/zinc/85/52/16/641855216.db2.gz RVDOMLQOLZVIPQ-GFCCVEGCSA-N 1 2 242.363 0.744 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001031252012 641862189 /nfs/dbraw/zinc/86/21/89/641862189.db2.gz JVYGPIHMYWDNJD-VIFPVBQESA-N 1 2 248.330 0.335 20 0 BCADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(N)=O ZINC000077629390 641867750 /nfs/dbraw/zinc/86/77/50/641867750.db2.gz YJLJEVHAUYXPRP-MRVPVSSYSA-N 1 2 210.281 0.966 20 0 BCADLO CNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010780 641898310 /nfs/dbraw/zinc/89/83/10/641898310.db2.gz WGDKPPZDLFWCLC-UHFFFAOYSA-N 1 2 238.360 0.856 20 0 BCADLO C[C@@H]([NH2+]CC1OCCO1)c1nnnn1C1CC1 ZINC000191475171 641923531 /nfs/dbraw/zinc/92/35/31/641923531.db2.gz MZCGOIZEYNHIBR-SSDOTTSWSA-N 1 2 239.279 0.032 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(CCF)CC1 ZINC000950732807 641940752 /nfs/dbraw/zinc/94/07/52/641940752.db2.gz ZLLNVAKUHVIZIN-UHFFFAOYSA-N 1 2 240.282 0.066 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+](CCO)CCCO ZINC000078642202 641941243 /nfs/dbraw/zinc/94/12/43/641941243.db2.gz DOBCTMRQIGFRFW-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+](CCO)CCCO ZINC000078642202 641941248 /nfs/dbraw/zinc/94/12/48/641941248.db2.gz DOBCTMRQIGFRFW-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO CCN(C(=O)c1ccnnc1C)C1C[NH+](CC)C1 ZINC000950770515 641960491 /nfs/dbraw/zinc/96/04/91/641960491.db2.gz VPJHOEQCOOJSBW-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccnnc1 ZINC001015751476 641983799 /nfs/dbraw/zinc/98/37/99/641983799.db2.gz YDMXMAQKYVAXJP-JTQLQIEISA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccnnc1 ZINC001015751476 641983804 /nfs/dbraw/zinc/98/38/04/641983804.db2.gz YDMXMAQKYVAXJP-JTQLQIEISA-N 1 2 238.266 0.250 20 0 BCADLO C[N@@H+]1CCC[C@H]1Cn1ccnc1S(C)(=O)=O ZINC000917116027 642014818 /nfs/dbraw/zinc/01/48/18/642014818.db2.gz IUCAJYMEJCYFBE-VIFPVBQESA-N 1 2 243.332 0.381 20 0 BCADLO C[N@H+]1CCC[C@H]1Cn1ccnc1S(C)(=O)=O ZINC000917116027 642014824 /nfs/dbraw/zinc/01/48/24/642014824.db2.gz IUCAJYMEJCYFBE-VIFPVBQESA-N 1 2 243.332 0.381 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925437380 642043356 /nfs/dbraw/zinc/04/33/56/642043356.db2.gz CBLVSPSIFJIOFF-ZJUUUORDSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925437380 642043359 /nfs/dbraw/zinc/04/33/59/642043359.db2.gz CBLVSPSIFJIOFF-ZJUUUORDSA-N 1 2 239.319 0.454 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001031478549 642195746 /nfs/dbraw/zinc/19/57/46/642195746.db2.gz QDCXBZGQRNOXAP-GFCCVEGCSA-N 1 2 246.310 0.983 20 0 BCADLO CCc1cc(C(=O)NC2C[NH+](CC)C2)nn1C ZINC001031486785 642200241 /nfs/dbraw/zinc/20/02/41/642200241.db2.gz LJKONLKETNOBLZ-UHFFFAOYSA-N 1 2 236.319 0.416 20 0 BCADLO Cc1nc[nH]c1C(=O)NC1C[NH+](CCCF)C1 ZINC001031489672 642211818 /nfs/dbraw/zinc/21/18/18/642211818.db2.gz LMOYLHKHWQJXER-UHFFFAOYSA-N 1 2 240.282 0.492 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001031506472 642239416 /nfs/dbraw/zinc/23/94/16/642239416.db2.gz DWSFIUHPVVVGTL-SECBINFHSA-N 1 2 236.319 0.344 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1CCOCC1 ZINC001031511286 642241209 /nfs/dbraw/zinc/24/12/09/642241209.db2.gz CPFPQLCVLNOBQS-UHFFFAOYSA-N 1 2 244.310 0.431 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919981526 642416565 /nfs/dbraw/zinc/41/65/65/642416565.db2.gz NEMVGNRXXGMORP-UWVGGRQHSA-N 1 2 247.314 0.316 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@@H]1CN(C)CC[N@H+]1C ZINC000919981526 642416572 /nfs/dbraw/zinc/41/65/72/642416572.db2.gz NEMVGNRXXGMORP-UWVGGRQHSA-N 1 2 247.314 0.316 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@H]1CN(C)CC[N@@H+]1C ZINC000919981527 642417414 /nfs/dbraw/zinc/41/74/14/642417414.db2.gz NEMVGNRXXGMORP-VHSXEESVSA-N 1 2 247.314 0.316 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@H]1CN(C)CC[N@H+]1C ZINC000919981527 642417420 /nfs/dbraw/zinc/41/74/20/642417420.db2.gz NEMVGNRXXGMORP-VHSXEESVSA-N 1 2 247.314 0.316 20 0 BCADLO CC(C)OC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919989122 642419438 /nfs/dbraw/zinc/41/94/38/642419438.db2.gz ISBNFSTZINMORB-MNOVXSKESA-N 1 2 243.351 0.755 20 0 BCADLO CC(C)OC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919989122 642419448 /nfs/dbraw/zinc/41/94/48/642419448.db2.gz ISBNFSTZINMORB-MNOVXSKESA-N 1 2 243.351 0.755 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCOC1CC1 ZINC000930111271 642421384 /nfs/dbraw/zinc/42/13/84/642421384.db2.gz XMSJNESFNMODGM-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCOC1CC1 ZINC000930111271 642421387 /nfs/dbraw/zinc/42/13/87/642421387.db2.gz XMSJNESFNMODGM-UHFFFAOYSA-N 1 2 235.349 0.532 20 0 BCADLO CCn1c[nH+]c2c1CCN(C[C@@H]1CCC(=O)N1)C2 ZINC000933255289 642423405 /nfs/dbraw/zinc/42/34/05/642423405.db2.gz ICZCHXVQHMMMGR-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@H](O)COC)C2 ZINC000933254523 642423533 /nfs/dbraw/zinc/42/35/33/642423533.db2.gz QKEHVODGVGKUTD-JTQLQIEISA-N 1 2 239.319 0.268 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@H](O)COC)C2 ZINC000933254523 642423538 /nfs/dbraw/zinc/42/35/38/642423538.db2.gz QKEHVODGVGKUTD-JTQLQIEISA-N 1 2 239.319 0.268 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@@H](O)[C@H](C)O)C2 ZINC000933255626 642425163 /nfs/dbraw/zinc/42/51/63/642425163.db2.gz NJIOYMAKRYLOQP-JOYOIKCWSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)[C@H](C)O)C2 ZINC000933255626 642425169 /nfs/dbraw/zinc/42/51/69/642425169.db2.gz NJIOYMAKRYLOQP-JOYOIKCWSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@H](O)[C@H](C)O)C2 ZINC000933255625 642425918 /nfs/dbraw/zinc/42/59/18/642425918.db2.gz NJIOYMAKRYLOQP-CABZTGNLSA-N 1 2 239.319 0.003 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@H](O)[C@H](C)O)C2 ZINC000933255625 642425925 /nfs/dbraw/zinc/42/59/25/642425925.db2.gz NJIOYMAKRYLOQP-CABZTGNLSA-N 1 2 239.319 0.003 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC1(F)F ZINC001031656344 642476670 /nfs/dbraw/zinc/47/66/70/642476670.db2.gz ZCLSYHSEOYIRCF-MRVPVSSYSA-N 1 2 236.237 0.659 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000308206214 642506926 /nfs/dbraw/zinc/50/69/26/642506926.db2.gz ZBJNDOLIKPFBJJ-UHFFFAOYSA-N 1 2 242.710 0.698 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1ccc(Cl)nn1 ZINC000308206214 642506938 /nfs/dbraw/zinc/50/69/38/642506938.db2.gz ZBJNDOLIKPFBJJ-UHFFFAOYSA-N 1 2 242.710 0.698 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000305711045 642677044 /nfs/dbraw/zinc/67/70/44/642677044.db2.gz JUQJDGMSRKJBBX-SNVBAGLBSA-N 1 2 245.282 0.869 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@H](C)CO ZINC000305780580 642693023 /nfs/dbraw/zinc/69/30/23/642693023.db2.gz OEOAHUKHAGAMHB-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@H](C)CO ZINC000305780580 642693037 /nfs/dbraw/zinc/69/30/37/642693037.db2.gz OEOAHUKHAGAMHB-SECBINFHSA-N 1 2 203.282 0.498 20 0 BCADLO CC(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179517752 642723760 /nfs/dbraw/zinc/72/37/60/642723760.db2.gz QDJNVZFSUKTNCA-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000965976701 642778586 /nfs/dbraw/zinc/77/85/86/642778586.db2.gz GYVXTUWKYDAEEQ-MRVPVSSYSA-N 1 2 226.305 0.249 20 0 BCADLO c1n[nH]c2c1[C@@H]([NH2+]C[C@@H]1COCCO1)CCC2 ZINC000353409238 642824745 /nfs/dbraw/zinc/82/47/45/642824745.db2.gz VWWKHFPURSAPPQ-KOLCDFICSA-N 1 2 237.303 0.792 20 0 BCADLO NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181073880 642836726 /nfs/dbraw/zinc/83/67/26/642836726.db2.gz ZMZMGGIEBXGMFW-UHFFFAOYSA-N 1 2 245.238 0.514 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cccnc1 ZINC001009917002 642845949 /nfs/dbraw/zinc/84/59/49/642845949.db2.gz YUVXQVNIWQOMMP-LLVKDONJSA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cccnc1 ZINC001009917002 642845954 /nfs/dbraw/zinc/84/59/54/642845954.db2.gz YUVXQVNIWQOMMP-LLVKDONJSA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccccn1 ZINC001009901698 642847554 /nfs/dbraw/zinc/84/75/54/642847554.db2.gz LHWIRHVLFJUPDT-JTQLQIEISA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccccn1 ZINC001009901698 642847557 /nfs/dbraw/zinc/84/75/57/642847557.db2.gz LHWIRHVLFJUPDT-JTQLQIEISA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)C1=COCCO1 ZINC001010020659 642850395 /nfs/dbraw/zinc/85/03/95/642850395.db2.gz JMKBWPVMRDTFPA-VIFPVBQESA-N 1 2 244.266 0.035 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)C1=COCCO1 ZINC001010020659 642850397 /nfs/dbraw/zinc/85/03/97/642850397.db2.gz JMKBWPVMRDTFPA-VIFPVBQESA-N 1 2 244.266 0.035 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccon1 ZINC001010330606 642860928 /nfs/dbraw/zinc/86/09/28/642860928.db2.gz JNBFGCQSKUXLJC-QMMMGPOBSA-N 1 2 227.239 0.448 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccon1 ZINC001010330606 642860930 /nfs/dbraw/zinc/86/09/30/642860930.db2.gz JNBFGCQSKUXLJC-QMMMGPOBSA-N 1 2 227.239 0.448 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1COC2 ZINC001014487717 642887575 /nfs/dbraw/zinc/88/75/75/642887575.db2.gz VUEPEDKLRMAVLV-UMNHJUIQSA-N 1 2 242.294 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1COC2 ZINC001014487717 642887589 /nfs/dbraw/zinc/88/75/89/642887589.db2.gz VUEPEDKLRMAVLV-UMNHJUIQSA-N 1 2 242.294 0.183 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031860786 642898862 /nfs/dbraw/zinc/89/88/62/642898862.db2.gz WBQCETWCOZPQRT-ONGXEEELSA-N 1 2 244.310 0.429 20 0 BCADLO Cc1nonc1C[NH+]1CCC(CO)CC1 ZINC000069795712 642909220 /nfs/dbraw/zinc/90/92/20/642909220.db2.gz QWZRIHXNKGKGDL-UHFFFAOYSA-N 1 2 211.265 0.582 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015643983 642917319 /nfs/dbraw/zinc/91/73/19/642917319.db2.gz XUQSPEZLTJZMKJ-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015643983 642917321 /nfs/dbraw/zinc/91/73/21/642917321.db2.gz XUQSPEZLTJZMKJ-VIFPVBQESA-N 1 2 241.266 0.757 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001018383810 642985706 /nfs/dbraw/zinc/98/57/06/642985706.db2.gz IXRGALFIAWLJGC-CBAPKCEASA-N 1 2 240.332 0.810 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001018382183 642986562 /nfs/dbraw/zinc/98/65/62/642986562.db2.gz IRPORVYYUUNKTJ-XCBNKYQSSA-N 1 2 238.291 0.649 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCOC1=O)[C@@H]1CCCO1 ZINC000182378917 643009743 /nfs/dbraw/zinc/00/97/43/643009743.db2.gz JFYRPWPTFMSFFP-AEJSXWLSSA-N 1 2 213.277 0.849 20 0 BCADLO CC(=O)CC[NH+]1CCN(CC(C)(C)O)CC1 ZINC000070557993 643041591 /nfs/dbraw/zinc/04/15/91/643041591.db2.gz DVVTTYJKRMAYAV-UHFFFAOYSA-N 1 2 228.336 0.354 20 0 BCADLO CC(=O)N[C@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC000969170324 643093511 /nfs/dbraw/zinc/09/35/11/643093511.db2.gz KYDCZYQWGDXKFT-SECBINFHSA-N 1 2 236.319 0.377 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccncn1 ZINC001015877399 643192428 /nfs/dbraw/zinc/19/24/28/643192428.db2.gz MJWYNQIZZNGUDM-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccncn1 ZINC001015877399 643192435 /nfs/dbraw/zinc/19/24/35/643192435.db2.gz MJWYNQIZZNGUDM-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cccnn1 ZINC001032066785 643228975 /nfs/dbraw/zinc/22/89/75/643228975.db2.gz IFICEAVMTZKWPS-UHFFFAOYSA-N 1 2 238.266 0.108 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)Cc1c(C)noc1C ZINC000072514655 643258713 /nfs/dbraw/zinc/25/87/13/643258713.db2.gz ATAMHZKVCUEOKY-SNVBAGLBSA-N 1 2 225.292 0.987 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1c(C)noc1C ZINC000072514655 643258719 /nfs/dbraw/zinc/25/87/19/643258719.db2.gz ATAMHZKVCUEOKY-SNVBAGLBSA-N 1 2 225.292 0.987 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000033567372 643270108 /nfs/dbraw/zinc/27/01/08/643270108.db2.gz QVZIWPVESUIQNS-SNVBAGLBSA-N 1 2 246.310 0.879 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000033567372 643270114 /nfs/dbraw/zinc/27/01/14/643270114.db2.gz QVZIWPVESUIQNS-SNVBAGLBSA-N 1 2 246.310 0.879 20 0 BCADLO CNC(=O)CO[NH+]=C(N)Cc1ccccc1C ZINC000080291500 643284786 /nfs/dbraw/zinc/28/47/86/643284786.db2.gz YSUDGHSTERHQCM-UHFFFAOYSA-N 1 2 235.287 0.572 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093531392 643339737 /nfs/dbraw/zinc/33/97/37/643339737.db2.gz YUXMBUPNXPEWBW-SNVBAGLBSA-N 1 2 244.316 0.403 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093531392 643339746 /nfs/dbraw/zinc/33/97/46/643339746.db2.gz YUXMBUPNXPEWBW-SNVBAGLBSA-N 1 2 244.316 0.403 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CCC(C(C)=O)CC1 ZINC000082644797 643361266 /nfs/dbraw/zinc/36/12/66/643361266.db2.gz UGZYNKQNUYXFQB-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cnccn1 ZINC001032240617 643390657 /nfs/dbraw/zinc/39/06/57/643390657.db2.gz ZFHVCECKZSXOKK-DLOVCJGASA-N 1 2 246.314 0.843 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cnccn1 ZINC001032240617 643390663 /nfs/dbraw/zinc/39/06/63/643390663.db2.gz ZFHVCECKZSXOKK-DLOVCJGASA-N 1 2 246.314 0.843 20 0 BCADLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC)n[nH]1 ZINC001032290600 643454689 /nfs/dbraw/zinc/45/46/89/643454689.db2.gz RCROVUHJLAIGQI-QWRGUYRKSA-N 1 2 248.330 0.891 20 0 BCADLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC)n[nH]1 ZINC001032290600 643454694 /nfs/dbraw/zinc/45/46/94/643454694.db2.gz RCROVUHJLAIGQI-QWRGUYRKSA-N 1 2 248.330 0.891 20 0 BCADLO CC[S@](=O)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000735116922 643524511 /nfs/dbraw/zinc/52/45/11/643524511.db2.gz UOZVIRLCEWMNIP-HWPZZCPQSA-N 1 2 246.376 0.356 20 0 BCADLO CC[S@](=O)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000735116922 643524517 /nfs/dbraw/zinc/52/45/17/643524517.db2.gz UOZVIRLCEWMNIP-HWPZZCPQSA-N 1 2 246.376 0.356 20 0 BCADLO C#CC[NH+]1CCN(C(=O)/C=C/SC)CC1 ZINC000083609893 643598137 /nfs/dbraw/zinc/59/81/37/643598137.db2.gz KRDPJWNVFFIGKX-ONNFQVAWSA-N 1 2 224.329 0.641 20 0 BCADLO CCCN1C(=O)C(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000073586221 643690800 /nfs/dbraw/zinc/69/08/00/643690800.db2.gz IVXDXXCAWMOJMI-UHFFFAOYSA-N 1 2 239.275 0.239 20 0 BCADLO CCCN1C(=O)C(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000073586221 643690804 /nfs/dbraw/zinc/69/08/04/643690804.db2.gz IVXDXXCAWMOJMI-UHFFFAOYSA-N 1 2 239.275 0.239 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+](C)CC(=O)NC(C)C ZINC000929229499 643750441 /nfs/dbraw/zinc/75/04/41/643750441.db2.gz KSIIKCCUNOTFDM-POHAHGRESA-N 1 2 242.319 0.562 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+](C)CC(=O)NC(C)C ZINC000929229499 643750447 /nfs/dbraw/zinc/75/04/47/643750447.db2.gz KSIIKCCUNOTFDM-POHAHGRESA-N 1 2 242.319 0.562 20 0 BCADLO CC(=O)NCC1=CC[N@H+](Cc2cnnn2C)CC1 ZINC001000346229 643777223 /nfs/dbraw/zinc/77/72/23/643777223.db2.gz UVEUZKGHQMGCHN-UHFFFAOYSA-N 1 2 249.318 0.083 20 0 BCADLO CC(=O)NCC1=CC[N@@H+](Cc2cnnn2C)CC1 ZINC001000346229 643777228 /nfs/dbraw/zinc/77/72/28/643777228.db2.gz UVEUZKGHQMGCHN-UHFFFAOYSA-N 1 2 249.318 0.083 20 0 BCADLO CC(=O)NCC1=CC[N@H+](Cc2ccn(C)n2)CC1 ZINC001000344758 643777348 /nfs/dbraw/zinc/77/73/48/643777348.db2.gz DVHSCRVHYVTXRU-UHFFFAOYSA-N 1 2 248.330 0.688 20 0 BCADLO CC(=O)NCC1=CC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001000344758 643777353 /nfs/dbraw/zinc/77/73/53/643777353.db2.gz DVHSCRVHYVTXRU-UHFFFAOYSA-N 1 2 248.330 0.688 20 0 BCADLO C[C@@H]1Cn2nccc2N(C(=O)Cn2cc[nH+]c2)C1 ZINC000922202247 643903235 /nfs/dbraw/zinc/90/32/35/643903235.db2.gz MXCPNFIKXZTVBC-JTQLQIEISA-N 1 2 245.286 0.763 20 0 BCADLO C[C@H]1Cn2nccc2N(C(=O)Cc2c[nH]c[nH+]2)C1 ZINC000922211020 643904172 /nfs/dbraw/zinc/90/41/72/643904172.db2.gz SQDYSRABCUYYSC-SECBINFHSA-N 1 2 245.286 0.832 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=C[C@@H]1CO ZINC000922281233 643951472 /nfs/dbraw/zinc/95/14/72/643951472.db2.gz SXABXJFTRYFZAK-ZYHUDNBSSA-N 1 2 247.298 0.205 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=C[C@H]1CO ZINC000922281230 643951756 /nfs/dbraw/zinc/95/17/56/643951756.db2.gz SXABXJFTRYFZAK-PWSUYJOCSA-N 1 2 247.298 0.205 20 0 BCADLO C[C@H](CC(=O)N1CC=C[C@@H]1CO)n1cc[nH+]c1 ZINC000922283381 643952050 /nfs/dbraw/zinc/95/20/50/643952050.db2.gz YVXRZOWRAATNQR-GHMZBOCLSA-N 1 2 235.287 0.594 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H](C)C(OC)OC ZINC000922314362 643967278 /nfs/dbraw/zinc/96/72/78/643967278.db2.gz JYRXBJPGICMOLF-QMMMGPOBSA-N 1 2 228.296 0.395 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC(=O)NC1 ZINC000922357835 643979918 /nfs/dbraw/zinc/97/99/18/643979918.db2.gz DDDINMHORXXZCF-QMMMGPOBSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000925359582 643993898 /nfs/dbraw/zinc/99/38/98/643993898.db2.gz QLUPDCOJVHBENC-WCBMZHEXSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@@H]1C[N@H+](C)CCO1 ZINC000925359582 643993901 /nfs/dbraw/zinc/99/39/01/643993901.db2.gz QLUPDCOJVHBENC-WCBMZHEXSA-N 1 2 240.307 0.359 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000925359582 643993903 /nfs/dbraw/zinc/99/39/03/643993903.db2.gz QLUPDCOJVHBENC-WCBMZHEXSA-N 1 2 240.307 0.359 20 0 BCADLO COC[C@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000922488007 644001956 /nfs/dbraw/zinc/00/19/56/644001956.db2.gz BCAWMCGVEVUWQE-NSHDSACASA-N 1 2 240.259 0.104 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC[C@H]1O ZINC000922490031 644002563 /nfs/dbraw/zinc/00/25/63/644002563.db2.gz KXAGVJSHEBAFTB-NXEZZACHSA-N 1 2 236.271 0.868 20 0 BCADLO CCn1nncc1C(=O)OCc1ccc[nH+]c1N ZINC000922771549 644092236 /nfs/dbraw/zinc/09/22/36/644092236.db2.gz SDZQZKPTBKSACR-UHFFFAOYSA-N 1 2 247.258 0.632 20 0 BCADLO CC(C)N1CCC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000186791156 644144024 /nfs/dbraw/zinc/14/40/24/644144024.db2.gz XXMHFCICAVPQIZ-SECBINFHSA-N 1 2 243.307 0.057 20 0 BCADLO CON(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000192378064 644149380 /nfs/dbraw/zinc/14/93/80/644149380.db2.gz IKJRKQUWTBGXQN-UWVGGRQHSA-N 1 2 245.323 0.298 20 0 BCADLO CCN(C(=O)c1csnn1)C1C[NH+](CC)C1 ZINC000951004223 644154233 /nfs/dbraw/zinc/15/42/33/644154233.db2.gz BMIORENDUORCJR-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO CCN(C(=O)c1cnco1)C1C[NH+](CC)C1 ZINC000951013108 644155769 /nfs/dbraw/zinc/15/57/69/644155769.db2.gz SRSTVGQICHYXJD-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H](C)C1CCC1)[C@@H](C)O ZINC000192853136 644189820 /nfs/dbraw/zinc/18/98/20/644189820.db2.gz BSERUWHWZGPHJC-MRTMQBJTSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@H]([NH2+]CCC1(C)OCCO1)C(=O)OC ZINC000192864227 644190856 /nfs/dbraw/zinc/19/08/56/644190856.db2.gz QDIZCAOGOURLMV-VIFPVBQESA-N 1 2 231.292 0.681 20 0 BCADLO Cc1n[nH]nc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000193933732 644288284 /nfs/dbraw/zinc/28/82/84/644288284.db2.gz WJEZQRNWHMZLCB-UHFFFAOYSA-N 1 2 235.291 0.033 20 0 BCADLO COC(=O)c1cn(C[NH+]2CCCCC2)nn1 ZINC000075666034 644302752 /nfs/dbraw/zinc/30/27/52/644302752.db2.gz UIKLCFWYCUNBEU-UHFFFAOYSA-N 1 2 224.264 0.508 20 0 BCADLO O=C(c1cccc2[nH]cnc21)N1CC[NH2+]CC1 ZINC000082347520 644371428 /nfs/dbraw/zinc/37/14/28/644371428.db2.gz ICPUZXZOHBZUMZ-UHFFFAOYSA-N 1 2 230.271 0.608 20 0 BCADLO CO[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000195351030 644380971 /nfs/dbraw/zinc/38/09/71/644380971.db2.gz YJVCSVGGRIYJOQ-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000195435730 644389721 /nfs/dbraw/zinc/38/97/21/644389721.db2.gz ZIHIGYXRJQMESX-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCC(=O)OCc1c[nH+]cn1C ZINC000085989511 644454847 /nfs/dbraw/zinc/45/48/47/644454847.db2.gz IVOODBPLNUFDDX-UHFFFAOYSA-N 1 2 212.249 0.890 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923577460 644512049 /nfs/dbraw/zinc/51/20/49/644512049.db2.gz QYBPURGXBCGGCZ-IEBDPFPHSA-N 1 2 234.255 0.651 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCOCC1CC1 ZINC000088599639 644524663 /nfs/dbraw/zinc/52/46/63/644524663.db2.gz ZTYJQZVUVGNNPL-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCOCC1CC1 ZINC000088599639 644524665 /nfs/dbraw/zinc/52/46/65/644524665.db2.gz ZTYJQZVUVGNNPL-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)[C@H](C)C1 ZINC000946931004 644527505 /nfs/dbraw/zinc/52/75/05/644527505.db2.gz AJCRPUPBECOZPX-PWSUYJOCSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)[C@H](C)C1 ZINC000946931004 644527509 /nfs/dbraw/zinc/52/75/09/644527509.db2.gz AJCRPUPBECOZPX-PWSUYJOCSA-N 1 2 248.330 0.966 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1C[C@@H]1C ZINC000245545932 644530128 /nfs/dbraw/zinc/53/01/28/644530128.db2.gz VXSKKEKRSLFXEB-AXFHLTTASA-N 1 2 227.304 0.906 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000246784231 644605078 /nfs/dbraw/zinc/60/50/78/644605078.db2.gz ORURBTKFSJFDNZ-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC000246784231 644605079 /nfs/dbraw/zinc/60/50/79/644605079.db2.gz ORURBTKFSJFDNZ-NXEZZACHSA-N 1 2 215.293 0.785 20 0 BCADLO C[C@H](c1ccncc1)[N@H+](C)CCS(N)(=O)=O ZINC000091988182 644644796 /nfs/dbraw/zinc/64/47/96/644644796.db2.gz QEIWSKVFGXHUAP-SECBINFHSA-N 1 2 243.332 0.363 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+](C)CCS(N)(=O)=O ZINC000091988182 644644799 /nfs/dbraw/zinc/64/47/99/644644799.db2.gz QEIWSKVFGXHUAP-SECBINFHSA-N 1 2 243.332 0.363 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CC[C@H]1CCOC1=O ZINC000249555158 644726456 /nfs/dbraw/zinc/72/64/56/644726456.db2.gz JLZXTESTSOMRMD-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CC[C@H]1CCOC1=O ZINC000249555158 644726461 /nfs/dbraw/zinc/72/64/61/644726461.db2.gz JLZXTESTSOMRMD-UWVGGRQHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CC[C@H]1CCOC1=O ZINC000249555160 644726473 /nfs/dbraw/zinc/72/64/73/644726473.db2.gz JLZXTESTSOMRMD-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CC[C@H]1CCOC1=O ZINC000249555160 644726476 /nfs/dbraw/zinc/72/64/76/644726476.db2.gz JLZXTESTSOMRMD-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO CCOC(C[N@@H+]1C[C@H](CO)OC[C@H]1C)OCC ZINC000250483553 644759197 /nfs/dbraw/zinc/75/91/97/644759197.db2.gz GKXBVFVARRICNP-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@H](CO)OC[C@H]1C)OCC ZINC000250483553 644759205 /nfs/dbraw/zinc/75/92/05/644759205.db2.gz GKXBVFVARRICNP-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC000958003368 644769232 /nfs/dbraw/zinc/76/92/32/644769232.db2.gz UULQCUSIYXBOTP-URLYPYJESA-N 1 2 237.328 0.709 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC000958003368 644769241 /nfs/dbraw/zinc/76/92/41/644769241.db2.gz UULQCUSIYXBOTP-URLYPYJESA-N 1 2 237.328 0.709 20 0 BCADLO COC/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000786618128 644781297 /nfs/dbraw/zinc/78/12/97/644781297.db2.gz GJOZSCOCVYCYGV-NSCUHMNNSA-N 1 2 210.233 0.629 20 0 BCADLO CON(C)C(=O)CC[NH+]1CC(OC(F)F)C1 ZINC000806631631 644854946 /nfs/dbraw/zinc/85/49/46/644854946.db2.gz PLVMQUKZPMAHMT-UHFFFAOYSA-N 1 2 238.234 0.320 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](CCO)C1CC1 ZINC000304358348 644895606 /nfs/dbraw/zinc/89/56/06/644895606.db2.gz XENJUPRISPAESC-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](CCO)C1CC1 ZINC000304358348 644895609 /nfs/dbraw/zinc/89/56/09/644895609.db2.gz XENJUPRISPAESC-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO COC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000097506512 644928005 /nfs/dbraw/zinc/92/80/05/644928005.db2.gz WTJCLFRBEOBDFK-UHFFFAOYSA-N 1 2 240.263 0.860 20 0 BCADLO Cn1ncc(C[NH2+]C2(C(N)=O)CC2)c1Cl ZINC000816569083 644963300 /nfs/dbraw/zinc/96/33/00/644963300.db2.gz ZBFQBXBYZSWXGM-UHFFFAOYSA-N 1 2 228.683 0.181 20 0 BCADLO CC(C)c1cc(C[NH2+]CCS(C)(=O)=O)on1 ZINC000819068983 645003257 /nfs/dbraw/zinc/00/32/57/645003257.db2.gz RSVBHDLPWAIYNT-UHFFFAOYSA-N 1 2 246.332 0.932 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1ncccc1CO ZINC000827322716 645078532 /nfs/dbraw/zinc/07/85/32/645078532.db2.gz FRQDUBGINPYNHE-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000828560838 645105547 /nfs/dbraw/zinc/10/55/47/645105547.db2.gz QTGBWPZZOUZGQY-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000828560838 645105549 /nfs/dbraw/zinc/10/55/49/645105549.db2.gz QTGBWPZZOUZGQY-ZUZCIYMTSA-N 1 2 235.349 0.102 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926575561 645294272 /nfs/dbraw/zinc/29/42/72/645294272.db2.gz KDHZBLLJVNAOEQ-XHNCKOQMSA-N 1 2 212.249 0.739 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926595914 645304408 /nfs/dbraw/zinc/30/44/08/645304408.db2.gz SVAGWWSFTLOALC-RKDXNWHRSA-N 1 2 239.323 0.379 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926595911 645304977 /nfs/dbraw/zinc/30/49/77/645304977.db2.gz SVAGWWSFTLOALC-BDAKNGLRSA-N 1 2 239.323 0.379 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926595912 645305502 /nfs/dbraw/zinc/30/55/02/645305502.db2.gz SVAGWWSFTLOALC-DTWKUNHWSA-N 1 2 239.323 0.379 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268077 645319630 /nfs/dbraw/zinc/31/96/30/645319630.db2.gz BLIUYJSWIPMGAG-ONGXEEELSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268077 645319635 /nfs/dbraw/zinc/31/96/35/645319635.db2.gz BLIUYJSWIPMGAG-ONGXEEELSA-N 1 2 240.303 0.690 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926636520 645324756 /nfs/dbraw/zinc/32/47/56/645324756.db2.gz FRHYJJLLLQBTOA-SGIHWFKDSA-N 1 2 238.291 0.287 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(=O)n1C ZINC000844693636 645344433 /nfs/dbraw/zinc/34/44/33/645344433.db2.gz GFUAIIMSENMNNT-IUCAKERBSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(=O)n1C ZINC000844693636 645344442 /nfs/dbraw/zinc/34/44/42/645344442.db2.gz GFUAIIMSENMNNT-IUCAKERBSA-N 1 2 224.308 0.578 20 0 BCADLO COc1cc([C@@H](C)[NH2+][C@H]2CCNC2=O)on1 ZINC000926670607 645347473 /nfs/dbraw/zinc/34/74/73/645347473.db2.gz DGHHLJBLZKTQAD-RQJHMYQMSA-N 1 2 225.248 0.222 20 0 BCADLO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCNC2=O)nn1 ZINC000926671544 645347859 /nfs/dbraw/zinc/34/78/59/645347859.db2.gz IWDOGQISLPLJBE-DTWKUNHWSA-N 1 2 237.307 0.398 20 0 BCADLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCNC1=O ZINC000926673572 645348356 /nfs/dbraw/zinc/34/83/56/645348356.db2.gz RKCSBZOMOMFTTF-BDAKNGLRSA-N 1 2 235.287 0.839 20 0 BCADLO CCn1nccc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926739331 645398618 /nfs/dbraw/zinc/39/86/18/645398618.db2.gz QGCRAFGCFADWPX-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CCC2(OC)OC)n1 ZINC000926747224 645401187 /nfs/dbraw/zinc/40/11/87/645401187.db2.gz OJHOHOAXUKBTPW-SNVBAGLBSA-N 1 2 240.307 0.539 20 0 BCADLO C[C@@H]1COC[C@@H]1[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000926826155 645445988 /nfs/dbraw/zinc/44/59/88/645445988.db2.gz XAOCXUSJBDATSW-LSYCYVAJSA-N 1 2 247.364 0.230 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@H]2COC[C@@H]2C)n1 ZINC000926878233 645470254 /nfs/dbraw/zinc/47/02/54/645470254.db2.gz PTGCJFNBJYRPFC-YUMQZZPRSA-N 1 2 242.348 0.792 20 0 BCADLO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C)c2ncnn21 ZINC000926887898 645472830 /nfs/dbraw/zinc/47/28/30/645472830.db2.gz FEZGHWXKVRGITL-UTLUCORTSA-N 1 2 221.308 0.578 20 0 BCADLO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C)c2ncnn21 ZINC000926887898 645472840 /nfs/dbraw/zinc/47/28/40/645472840.db2.gz FEZGHWXKVRGITL-UTLUCORTSA-N 1 2 221.308 0.578 20 0 BCADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1(CO)CC1 ZINC000855478717 645525440 /nfs/dbraw/zinc/52/54/40/645525440.db2.gz WUWRYGPEQCFKCO-QMMMGPOBSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H](O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079750 645540597 /nfs/dbraw/zinc/54/05/97/645540597.db2.gz FMGPPGSYVJEEIU-SNVBAGLBSA-N 1 2 249.314 0.865 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(O)CCC1 ZINC000857438189 645558373 /nfs/dbraw/zinc/55/83/73/645558373.db2.gz RYGTVDWVLQTPJC-SNVBAGLBSA-N 1 2 237.303 0.693 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927137769 645565252 /nfs/dbraw/zinc/56/52/52/645565252.db2.gz XODVUNVHJKPPOR-PRHODGIISA-N 1 2 249.318 0.836 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H](O)C1CCC1 ZINC000857507011 645582193 /nfs/dbraw/zinc/58/21/93/645582193.db2.gz LWLMSXJMDXZKHH-SNVBAGLBSA-N 1 2 223.276 0.197 20 0 BCADLO CCn1ncc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000857535346 645602511 /nfs/dbraw/zinc/60/25/11/645602511.db2.gz LILVXNJMYWPUOE-UHFFFAOYSA-N 1 2 248.290 0.004 20 0 BCADLO CO[C@@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000927777234 645656129 /nfs/dbraw/zinc/65/61/29/645656129.db2.gz STNCBFDUIBGNIK-QMMMGPOBSA-N 1 2 223.276 0.705 20 0 BCADLO COC(=O)/C(C)=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC000927978612 645670033 /nfs/dbraw/zinc/67/00/33/645670033.db2.gz VWBWGHYVARLABN-FPYGCLRLSA-N 1 2 237.259 0.188 20 0 BCADLO COC[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869439564 645743666 /nfs/dbraw/zinc/74/36/66/645743666.db2.gz PTICLFXCFFMMAK-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930286718 645752830 /nfs/dbraw/zinc/75/28/30/645752830.db2.gz AAFXKDPFYNNKLQ-VPOLOUISSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930286718 645752836 /nfs/dbraw/zinc/75/28/36/645752836.db2.gz AAFXKDPFYNNKLQ-VPOLOUISSA-N 1 2 243.303 0.284 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(F)(F)C(F)F ZINC000928561589 645792944 /nfs/dbraw/zinc/79/29/44/645792944.db2.gz BNKWYLPUHVFXCS-YFKPBYRVSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(F)(F)C(F)F ZINC000928561589 645792947 /nfs/dbraw/zinc/79/29/47/645792947.db2.gz BNKWYLPUHVFXCS-YFKPBYRVSA-N 1 2 228.189 0.707 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000928539530 645799231 /nfs/dbraw/zinc/79/92/31/645799231.db2.gz GCRUGAWNAJAIKM-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)C2CC2)CC1 ZINC000928556417 645814511 /nfs/dbraw/zinc/81/45/11/645814511.db2.gz TUDHSRSOFUSKPP-SNVBAGLBSA-N 1 2 236.315 0.566 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)C2CC2)CC1 ZINC000928556417 645814514 /nfs/dbraw/zinc/81/45/14/645814514.db2.gz TUDHSRSOFUSKPP-SNVBAGLBSA-N 1 2 236.315 0.566 20 0 BCADLO Cc1nnsc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928566341 645827516 /nfs/dbraw/zinc/82/75/16/645827516.db2.gz GEYWMKHROLNQPF-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nnsc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928566341 645827520 /nfs/dbraw/zinc/82/75/20/645827520.db2.gz GEYWMKHROLNQPF-ZETCQYMHSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C)c(C)c1C=O ZINC000928577125 645835742 /nfs/dbraw/zinc/83/57/42/645835742.db2.gz GFNPTPNYVVTRHP-JTQLQIEISA-N 1 2 249.314 0.878 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C)c(C)c1C=O ZINC000928577125 645835745 /nfs/dbraw/zinc/83/57/45/645835745.db2.gz GFNPTPNYVVTRHP-JTQLQIEISA-N 1 2 249.314 0.878 20 0 BCADLO CCN(OC)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000882517021 645842508 /nfs/dbraw/zinc/84/25/08/645842508.db2.gz OEFAVLJOIXQGHG-UHFFFAOYSA-N 1 2 239.275 0.396 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928901325 645884401 /nfs/dbraw/zinc/88/44/01/645884401.db2.gz AARAOGXSGDJOAQ-CKYFFXLPSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000928902689 645885038 /nfs/dbraw/zinc/88/50/38/645885038.db2.gz FZZVDAOLQFDNEF-OUAUKWLOSA-N 1 2 249.314 0.597 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC[C@@H]1C ZINC000928908873 645889303 /nfs/dbraw/zinc/88/93/03/645889303.db2.gz JDZAWQFGECKPPH-OIBJUYFYSA-N 1 2 223.276 0.412 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000928917031 645893209 /nfs/dbraw/zinc/89/32/09/645893209.db2.gz MTXKGSKWBHSATI-UWVGGRQHSA-N 1 2 235.287 0.645 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCn2cccc2C1 ZINC000928958362 645913771 /nfs/dbraw/zinc/91/37/71/645913771.db2.gz FCHJXMMMYMXKOL-UHFFFAOYSA-N 1 2 230.271 0.796 20 0 BCADLO CCOC(=O)/C=C\CN1CCc2[nH+]c[nH]c2C1 ZINC000929069930 645933204 /nfs/dbraw/zinc/93/32/04/645933204.db2.gz NSSPEIXAXGEVFD-ARJAWSKDSA-N 1 2 235.287 0.887 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@@H](C)C1 ZINC000929109258 645946667 /nfs/dbraw/zinc/94/66/67/645946667.db2.gz LMNKEHLPRRQEMJ-ZKXNXJMVSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@@H](C)C1 ZINC000929109258 645946673 /nfs/dbraw/zinc/94/66/73/645946673.db2.gz LMNKEHLPRRQEMJ-ZKXNXJMVSA-N 1 2 213.277 0.826 20 0 BCADLO O=C(COC(F)(F)F)OCCn1cc[nH+]c1 ZINC000923707362 645947491 /nfs/dbraw/zinc/94/74/91/645947491.db2.gz KTICWRPHRHMWEI-UHFFFAOYSA-N 1 2 238.165 0.963 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930302766 645948964 /nfs/dbraw/zinc/94/89/64/645948964.db2.gz AAFXKDPFYNNKLQ-ZRUFSTJUSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930302766 645948971 /nfs/dbraw/zinc/94/89/71/645948971.db2.gz AAFXKDPFYNNKLQ-ZRUFSTJUSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930302764 645949925 /nfs/dbraw/zinc/94/99/25/645949925.db2.gz AAFXKDPFYNNKLQ-VLEAKVRGSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930302764 645949931 /nfs/dbraw/zinc/94/99/31/645949931.db2.gz AAFXKDPFYNNKLQ-VLEAKVRGSA-N 1 2 243.303 0.284 20 0 BCADLO CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929162878 645982441 /nfs/dbraw/zinc/98/24/41/645982441.db2.gz UPUQNEVFRAXQBB-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)CC1(C)COC1 ZINC000924118159 645984440 /nfs/dbraw/zinc/98/44/40/645984440.db2.gz SNAMXSPJCZVVCL-UHFFFAOYSA-N 1 2 238.287 0.932 20 0 BCADLO C[C@H](c1nc(CCCCC(N)=O)no1)[NH+](C)C ZINC000924145473 645995672 /nfs/dbraw/zinc/99/56/72/645995672.db2.gz BUIKWKIPBSKHSV-MRVPVSSYSA-N 1 2 240.307 0.890 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000924462484 646040475 /nfs/dbraw/zinc/04/04/75/646040475.db2.gz YSHKAXABSRDIBB-NWDGAFQWSA-N 1 2 249.314 0.911 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000924462483 646040922 /nfs/dbraw/zinc/04/09/22/646040922.db2.gz YSHKAXABSRDIBB-NEPJUHHUSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ncco1 ZINC000924555444 646065406 /nfs/dbraw/zinc/06/54/06/646065406.db2.gz WFOPSNASYYMXMJ-QMMMGPOBSA-N 1 2 223.276 0.851 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000924561988 646069320 /nfs/dbraw/zinc/06/93/20/646069320.db2.gz QORUTAQTPOGLNH-DTWKUNHWSA-N 1 2 237.307 0.400 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](O)[C@@H](C)O)cs1 ZINC000929342684 646074854 /nfs/dbraw/zinc/07/48/54/646074854.db2.gz GZQJDOYIWLNSEA-SCZZXKLOSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](O)[C@@H](C)O)cs1 ZINC000929342684 646074861 /nfs/dbraw/zinc/07/48/61/646074861.db2.gz GZQJDOYIWLNSEA-SCZZXKLOSA-N 1 2 244.360 0.879 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cc(C)nnc1C ZINC000929319586 646078075 /nfs/dbraw/zinc/07/80/75/646078075.db2.gz FMBXEROWRXEXHW-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)nnc1C ZINC000929319586 646078079 /nfs/dbraw/zinc/07/80/79/646078079.db2.gz FMBXEROWRXEXHW-UHFFFAOYSA-N 1 2 236.319 0.661 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cnn(C)n1 ZINC000924632351 646080693 /nfs/dbraw/zinc/08/06/93/646080693.db2.gz MKHZAYRLRJVKIR-RKDXNWHRSA-N 1 2 237.307 0.134 20 0 BCADLO C[N@@H+](Cc1cscn1)C[C@@H](O)C1(O)CCC1 ZINC000929344102 646087090 /nfs/dbraw/zinc/08/70/90/646087090.db2.gz PGDNWSHDYBRYIA-SNVBAGLBSA-N 1 2 242.344 0.851 20 0 BCADLO C[N@H+](Cc1cscn1)C[C@@H](O)C1(O)CCC1 ZINC000929344102 646087095 /nfs/dbraw/zinc/08/70/95/646087095.db2.gz PGDNWSHDYBRYIA-SNVBAGLBSA-N 1 2 242.344 0.851 20 0 BCADLO CNC(=O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929397037 646107776 /nfs/dbraw/zinc/10/77/76/646107776.db2.gz ZVLBEDVBLPZRJH-UHFFFAOYSA-N 1 2 246.270 0.381 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000929427603 646117526 /nfs/dbraw/zinc/11/75/26/646117526.db2.gz JYEXGGZBYGJWAX-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000929427603 646117530 /nfs/dbraw/zinc/11/75/30/646117530.db2.gz JYEXGGZBYGJWAX-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CCc1ncc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000929514885 646164357 /nfs/dbraw/zinc/16/43/57/646164357.db2.gz VTWARNAFFSGDJR-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO CCc1ncc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000929514885 646164362 /nfs/dbraw/zinc/16/43/62/646164362.db2.gz VTWARNAFFSGDJR-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nncs1 ZINC000929522114 646171145 /nfs/dbraw/zinc/17/11/45/646171145.db2.gz XCXYURPOKHRWIT-YUMQZZPRSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nncs1 ZINC000929522114 646171150 /nfs/dbraw/zinc/17/11/50/646171150.db2.gz XCXYURPOKHRWIT-YUMQZZPRSA-N 1 2 240.332 0.624 20 0 BCADLO Cc1cn(C)nc1C[N@H+](C)[C@H]1CCOC1 ZINC000929600563 646193263 /nfs/dbraw/zinc/19/32/63/646193263.db2.gz KBNBVNHNXKVYPI-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cn(C)nc1C[N@@H+](C)[C@H]1CCOC1 ZINC000929600563 646193267 /nfs/dbraw/zinc/19/32/67/646193267.db2.gz KBNBVNHNXKVYPI-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOC1CC1 ZINC000929626191 646209782 /nfs/dbraw/zinc/20/97/82/646209782.db2.gz IUBZIEJONZGAHK-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOC1CC1 ZINC000929626191 646209788 /nfs/dbraw/zinc/20/97/88/646209788.db2.gz IUBZIEJONZGAHK-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO COC/C(C)=C/C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000929626133 646210146 /nfs/dbraw/zinc/21/01/46/646210146.db2.gz HQZLKRPKCSALRL-RUYJGKKWSA-N 1 2 249.376 0.944 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000929626133 646210153 /nfs/dbraw/zinc/21/01/53/646210153.db2.gz HQZLKRPKCSALRL-RUYJGKKWSA-N 1 2 249.376 0.944 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c(C)nn1 ZINC000929687547 646244460 /nfs/dbraw/zinc/24/44/60/646244460.db2.gz MYXLVOOZOOUSJG-LBPRGKRZSA-N 1 2 248.330 0.756 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(C)nn1 ZINC000929687547 646244463 /nfs/dbraw/zinc/24/44/63/646244463.db2.gz MYXLVOOZOOUSJG-LBPRGKRZSA-N 1 2 248.330 0.756 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H](O)C1(O)CCCC1 ZINC000929695656 646250049 /nfs/dbraw/zinc/25/00/49/646250049.db2.gz ICVUIANVEAKWOQ-NSHDSACASA-N 1 2 240.303 0.772 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H](O)C1(O)CCCC1 ZINC000929695656 646250060 /nfs/dbraw/zinc/25/00/60/646250060.db2.gz ICVUIANVEAKWOQ-NSHDSACASA-N 1 2 240.303 0.772 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H](O)C1(O)CCC1 ZINC000929695660 646250987 /nfs/dbraw/zinc/25/09/87/646250987.db2.gz IDTZPUBOKUIDHT-JTQLQIEISA-N 1 2 226.276 0.382 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H](O)C1(O)CCC1 ZINC000929695660 646250996 /nfs/dbraw/zinc/25/09/96/646250996.db2.gz IDTZPUBOKUIDHT-JTQLQIEISA-N 1 2 226.276 0.382 20 0 BCADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000925462642 646287195 /nfs/dbraw/zinc/28/71/95/646287195.db2.gz YKZSQZLLCRXBRV-MRVPVSSYSA-N 1 2 220.280 0.697 20 0 BCADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925462643 646287724 /nfs/dbraw/zinc/28/77/24/646287724.db2.gz YKZSQZLLCRXBRV-QMMMGPOBSA-N 1 2 220.280 0.697 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817703 646335694 /nfs/dbraw/zinc/33/56/94/646335694.db2.gz MABMHUHNRVDVQW-KOLCDFICSA-N 1 2 227.260 0.006 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000929817703 646335700 /nfs/dbraw/zinc/33/57/00/646335700.db2.gz MABMHUHNRVDVQW-KOLCDFICSA-N 1 2 227.260 0.006 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)OC ZINC000925594632 646351439 /nfs/dbraw/zinc/35/14/39/646351439.db2.gz LJZSKVNAHOCXBD-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO Cn1cc(C2=NC[C@@H](Cn3cc[nH+]c3)O2)cn1 ZINC000929865275 646363240 /nfs/dbraw/zinc/36/32/40/646363240.db2.gz AIMTWKJOMFEYMG-JTQLQIEISA-N 1 2 231.259 0.462 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+](C)C(C)(C)C(=O)OC ZINC000929970100 646381562 /nfs/dbraw/zinc/38/15/62/646381562.db2.gz SPYFYNQRKWVWGU-VQHVLOKHSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+](C)C(C)(C)C(=O)OC ZINC000929970100 646381567 /nfs/dbraw/zinc/38/15/67/646381567.db2.gz SPYFYNQRKWVWGU-VQHVLOKHSA-N 1 2 243.303 0.989 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCO[C@@H]1CCOC1 ZINC000929972435 646382193 /nfs/dbraw/zinc/38/21/93/646382193.db2.gz DFHAFZZOFQEUJD-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000929972435 646382196 /nfs/dbraw/zinc/38/21/96/646382196.db2.gz DFHAFZZOFQEUJD-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2COCCO2)no1 ZINC000929968904 646383124 /nfs/dbraw/zinc/38/31/24/646383124.db2.gz SABIINQMKSYYEY-VIFPVBQESA-N 1 2 241.291 0.618 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nncs2)CCCC1 ZINC000929982164 646385331 /nfs/dbraw/zinc/38/53/31/646385331.db2.gz XIXVFHBGSKFIDJ-UHFFFAOYSA-N 1 2 240.332 0.687 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000929993250 646386270 /nfs/dbraw/zinc/38/62/70/646386270.db2.gz IENSRMAKAQDHQK-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000929993250 646386275 /nfs/dbraw/zinc/38/62/75/646386275.db2.gz IENSRMAKAQDHQK-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2c[nH]nc2C1)C1(O)CCC1 ZINC000930069101 646420862 /nfs/dbraw/zinc/42/08/62/646420862.db2.gz NLUSUXFFYUITMP-NSHDSACASA-N 1 2 237.303 0.044 20 0 BCADLO O[C@@H](C[N@H+]1CCc2c[nH]nc2C1)C1(O)CCC1 ZINC000930069101 646420866 /nfs/dbraw/zinc/42/08/66/646420866.db2.gz NLUSUXFFYUITMP-NSHDSACASA-N 1 2 237.303 0.044 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)C1(O)CCC1 ZINC000930069101 646420876 /nfs/dbraw/zinc/42/08/76/646420876.db2.gz NLUSUXFFYUITMP-NSHDSACASA-N 1 2 237.303 0.044 20 0 BCADLO O[C@@H](C[N@H+]1CCc2cn[nH]c2C1)C1(O)CCC1 ZINC000930069101 646420881 /nfs/dbraw/zinc/42/08/81/646420881.db2.gz NLUSUXFFYUITMP-NSHDSACASA-N 1 2 237.303 0.044 20 0 BCADLO CON1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000930127226 646449939 /nfs/dbraw/zinc/44/99/39/646449939.db2.gz HNIWJBBUFKWVRZ-MRVPVSSYSA-N 1 2 246.257 0.880 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000930142776 646456651 /nfs/dbraw/zinc/45/66/51/646456651.db2.gz MLZDYGHIPFDZMN-KSXVILFYSA-N 1 2 244.360 0.482 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000930142776 646456653 /nfs/dbraw/zinc/45/66/53/646456653.db2.gz MLZDYGHIPFDZMN-KSXVILFYSA-N 1 2 244.360 0.482 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000926056768 646567494 /nfs/dbraw/zinc/56/74/94/646567494.db2.gz WVMPGDFZKUHAJZ-VFZGTOFNSA-N 1 2 232.349 0.971 20 0 BCADLO CC(C)[S@](C)(=O)=NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000926056768 646567497 /nfs/dbraw/zinc/56/74/97/646567497.db2.gz WVMPGDFZKUHAJZ-VFZGTOFNSA-N 1 2 232.349 0.971 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2ncnn21 ZINC000926108967 646576649 /nfs/dbraw/zinc/57/66/49/646576649.db2.gz DSPMIULPTHKVET-SCZZXKLOSA-N 1 2 249.318 0.400 20 0 BCADLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cnn(C)n1 ZINC000926161775 646586891 /nfs/dbraw/zinc/58/68/91/646586891.db2.gz QKHLEAQQIPINPS-QMMMGPOBSA-N 1 2 240.307 0.617 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1ncnn1C ZINC000926263237 646607180 /nfs/dbraw/zinc/60/71/80/646607180.db2.gz VDETWHDZMPWWBD-IUCAKERBSA-N 1 2 240.307 0.617 20 0 BCADLO CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC000724714333 711609406 /nfs/dbraw/zinc/60/94/06/711609406.db2.gz AQJAPSNTAMMPJU-RITPCOANSA-N 1 2 238.234 0.037 20 0 BCADLO COCCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724733595 711610092 /nfs/dbraw/zinc/61/00/92/711610092.db2.gz JUTZULZWLZFTKM-SSDOTTSWSA-N 1 2 224.251 0.512 20 0 BCADLO CC[N@H+](CCO[C@@H]1CCOC1)CC(=O)OC ZINC000724962720 711637809 /nfs/dbraw/zinc/63/78/09/711637809.db2.gz ZFPLRHIWUCOPHS-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@@H+](CCO[C@@H]1CCOC1)CC(=O)OC ZINC000724962720 711637812 /nfs/dbraw/zinc/63/78/12/711637812.db2.gz ZFPLRHIWUCOPHS-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)c1ncn(C[NH+]2CCCCC2)n1 ZINC000066349220 711671958 /nfs/dbraw/zinc/67/19/58/711671958.db2.gz LWZGVTRFHRRNMR-UHFFFAOYSA-N 1 2 224.264 0.508 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC2(C1)OCCO2 ZINC000396591720 711702070 /nfs/dbraw/zinc/70/20/70/711702070.db2.gz METBJOKORLGDSC-ARJAWSKDSA-N 1 2 241.287 0.555 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC2(C1)OCCO2 ZINC000396591720 711702071 /nfs/dbraw/zinc/70/20/71/711702071.db2.gz METBJOKORLGDSC-ARJAWSKDSA-N 1 2 241.287 0.555 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313685354 711728829 /nfs/dbraw/zinc/72/88/29/711728829.db2.gz SUHFCDORPLNVIT-GFCCVEGCSA-N 1 2 245.319 0.149 20 0 BCADLO CCCCOC(=O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313685354 711728832 /nfs/dbraw/zinc/72/88/32/711728832.db2.gz SUHFCDORPLNVIT-GFCCVEGCSA-N 1 2 245.319 0.149 20 0 BCADLO COC(C)(C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000928586896 711780034 /nfs/dbraw/zinc/78/00/34/711780034.db2.gz BISFUENGVVMDEG-QMMMGPOBSA-N 1 2 225.292 0.882 20 0 BCADLO CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1C[NH+](CCO)C1 ZINC001042586913 711786688 /nfs/dbraw/zinc/78/66/88/711786688.db2.gz AHPPWOOLEYFJLF-GDNZZTSVSA-N 1 2 238.331 0.167 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001032844853 711961192 /nfs/dbraw/zinc/96/11/92/711961192.db2.gz XINICZUDYZJSMN-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001032844853 711961195 /nfs/dbraw/zinc/96/11/95/711961195.db2.gz XINICZUDYZJSMN-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CO[C@](C)(CO)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000702531754 712054981 /nfs/dbraw/zinc/05/49/81/712054981.db2.gz LKQGVFKICDKZJJ-JQWIXIFHSA-N 1 2 239.319 0.774 20 0 BCADLO CNc1cc(NC[C@@](C)(CO)OC)[nH+]cn1 ZINC000705708735 712134147 /nfs/dbraw/zinc/13/41/47/712134147.db2.gz DPOFXJJBPAQNIR-JTQLQIEISA-N 1 2 226.280 0.328 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H](CF)C1 ZINC000711434261 712300019 /nfs/dbraw/zinc/30/00/19/712300019.db2.gz DMKZOHIMAAVXLK-ZETCQYMHSA-N 1 2 226.255 0.863 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711757292 712325429 /nfs/dbraw/zinc/32/54/29/712325429.db2.gz CZXPYRYAZPZXPA-SNVBAGLBSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711757292 712325430 /nfs/dbraw/zinc/32/54/30/712325430.db2.gz CZXPYRYAZPZXPA-SNVBAGLBSA-N 1 2 229.276 0.039 20 0 BCADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC001079330790 712347241 /nfs/dbraw/zinc/34/72/41/712347241.db2.gz WAIAIYMVHITPNF-RNFRBKRXSA-N 1 2 224.226 0.658 20 0 BCADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC001079330790 712347244 /nfs/dbraw/zinc/34/72/44/712347244.db2.gz WAIAIYMVHITPNF-RNFRBKRXSA-N 1 2 224.226 0.658 20 0 BCADLO CCOC[C@H]([NH2+][C@@H]1CCOC1=O)C(C)C ZINC000379928725 712631608 /nfs/dbraw/zinc/63/16/08/712631608.db2.gz NBAWMVKNOPNTPI-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H](C)CO1 ZINC000718481388 712765613 /nfs/dbraw/zinc/76/56/13/712765613.db2.gz QBJQAPNRXJZDST-GMSGAONNSA-N 1 2 223.276 0.759 20 0 BCADLO C[C@@]1([NH2+]CC[C@@H]2CCCO2)CCOC1=O ZINC000380216632 712827032 /nfs/dbraw/zinc/82/70/32/712827032.db2.gz IKQCSLHOAFRUOX-GXSJLCMTSA-N 1 2 213.277 0.851 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001037990152 712897176 /nfs/dbraw/zinc/89/71/76/712897176.db2.gz GQEBSPBPZAYICI-LXOKAJLYSA-N 1 2 202.685 0.949 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001037990152 712897177 /nfs/dbraw/zinc/89/71/77/712897177.db2.gz GQEBSPBPZAYICI-LXOKAJLYSA-N 1 2 202.685 0.949 20 0 BCADLO Nc1cc(COC(=O)c2cnsn2)cc[nH+]1 ZINC000381438753 710636668 /nfs/dbraw/zinc/63/66/68/710636668.db2.gz YPFLJRAOOQYHFK-UHFFFAOYSA-N 1 2 236.256 0.703 20 0 BCADLO CONC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000381750042 710699031 /nfs/dbraw/zinc/69/90/31/710699031.db2.gz QYJGWICUKUKYDR-VIFPVBQESA-N 1 2 212.224 0.546 20 0 BCADLO CCCC[N@@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038841703 710709742 /nfs/dbraw/zinc/70/97/42/710709742.db2.gz OAXGLLZTICKXNE-VIFPVBQESA-N 1 2 237.307 0.409 20 0 BCADLO CCCC[N@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038841703 710709746 /nfs/dbraw/zinc/70/97/46/710709746.db2.gz OAXGLLZTICKXNE-VIFPVBQESA-N 1 2 237.307 0.409 20 0 BCADLO C(C[NH+]1CCOCC1)O[C@H]1CCOC1 ZINC000724934001 710750582 /nfs/dbraw/zinc/75/05/82/710750582.db2.gz HIAWJCNTCOPGMJ-JTQLQIEISA-N 1 2 201.266 0.124 20 0 BCADLO CN(C(=O)c1ccccc1)C1C[NH+](CCO)C1 ZINC001042420449 710782812 /nfs/dbraw/zinc/78/28/12/710782812.db2.gz JLZJLKMAFPHNQB-UHFFFAOYSA-N 1 2 234.299 0.435 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccon2)C1 ZINC001042512727 710789522 /nfs/dbraw/zinc/78/95/22/710789522.db2.gz ZBHSKNUIBZLYSR-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO CN(C(=O)c1cocn1)C1C[NH+](CCCF)C1 ZINC001042540325 710791305 /nfs/dbraw/zinc/79/13/05/710791305.db2.gz TYRWKJHCBKFBRM-UHFFFAOYSA-N 1 2 241.266 0.790 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001042599313 710793860 /nfs/dbraw/zinc/79/38/60/710793860.db2.gz ROSAUUMPGROQIM-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001043301014 710805893 /nfs/dbraw/zinc/80/58/93/710805893.db2.gz URHNTLVOHKOAFU-UHFFFAOYSA-N 1 2 249.314 0.161 20 0 BCADLO CN(C(=O)[C@@]1(C)C=CCC1)C1C[NH+](CCO)C1 ZINC001043555751 710808847 /nfs/dbraw/zinc/80/88/47/710808847.db2.gz SEURSOYMOQJTFZ-ZDUSSCGKSA-N 1 2 238.331 0.478 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001043641414 710810699 /nfs/dbraw/zinc/81/06/99/710810699.db2.gz ICGDIBBYRFVMMB-NSHDSACASA-N 1 2 230.283 0.278 20 0 BCADLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044111153 710819727 /nfs/dbraw/zinc/81/97/27/710819727.db2.gz DMLBWSHFEYOOQE-NEPJUHHUSA-N 1 2 240.347 0.413 20 0 BCADLO Cc1nn(CCOc2cc[nH+]cc2)c(=O)o1 ZINC000902734189 710886323 /nfs/dbraw/zinc/88/63/23/710886323.db2.gz RXDYGMOEYWTTMC-UHFFFAOYSA-N 1 2 221.216 0.619 20 0 BCADLO CCCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053126632 710919793 /nfs/dbraw/zinc/91/97/93/710919793.db2.gz XAUUSVQAAQCDBF-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO CC(C)C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053160877 710919876 /nfs/dbraw/zinc/91/98/76/710919876.db2.gz LMAJFPRDXBFWND-UHFFFAOYSA-N 1 2 240.347 0.964 20 0 BCADLO CCC[NH+]1CC2(C1)CN(C(=O)C(F)F)CCO2 ZINC001053115308 710919883 /nfs/dbraw/zinc/91/98/83/710919883.db2.gz HHSWXUNVYRPWFY-UHFFFAOYSA-N 1 2 248.273 0.575 20 0 BCADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053708382 710921055 /nfs/dbraw/zinc/92/10/55/710921055.db2.gz AZRITBHFPBZWJL-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053711398 710921508 /nfs/dbraw/zinc/92/15/08/710921508.db2.gz KUKCNEQKODYGGX-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC1)CO2 ZINC001053719427 710923248 /nfs/dbraw/zinc/92/32/48/710923248.db2.gz BXFMCFOCVPFIJV-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050786212 710954213 /nfs/dbraw/zinc/95/42/13/710954213.db2.gz WKFVKPDNPKBKIS-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050786212 710954216 /nfs/dbraw/zinc/95/42/16/710954216.db2.gz WKFVKPDNPKBKIS-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001050777241 710954714 /nfs/dbraw/zinc/95/47/14/710954714.db2.gz YFANDKQLZCDCDH-JTQLQIEISA-N 1 2 218.272 0.183 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001050777241 710954716 /nfs/dbraw/zinc/95/47/16/710954716.db2.gz YFANDKQLZCDCDH-JTQLQIEISA-N 1 2 218.272 0.183 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC001050852294 710955683 /nfs/dbraw/zinc/95/56/83/710955683.db2.gz MVMKKLONBYEIRI-LBPRGKRZSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC001050852294 710955688 /nfs/dbraw/zinc/95/56/88/710955688.db2.gz MVMKKLONBYEIRI-LBPRGKRZSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC001050852292 710956034 /nfs/dbraw/zinc/95/60/34/710956034.db2.gz MVMKKLONBYEIRI-GFCCVEGCSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC001050852292 710956040 /nfs/dbraw/zinc/95/60/40/710956040.db2.gz MVMKKLONBYEIRI-GFCCVEGCSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051142531 710956385 /nfs/dbraw/zinc/95/63/85/710956385.db2.gz OQAQNZUATIIIJH-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051142531 710956391 /nfs/dbraw/zinc/95/63/91/710956391.db2.gz OQAQNZUATIIIJH-MNOVXSKESA-N 1 2 238.331 0.623 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050910936 710956569 /nfs/dbraw/zinc/95/65/69/710956569.db2.gz MTVKSIPCVJRBED-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050910936 710956571 /nfs/dbraw/zinc/95/65/71/710956571.db2.gz MTVKSIPCVJRBED-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO COC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382472644 710971450 /nfs/dbraw/zinc/97/14/50/710971450.db2.gz HFMWBXKNOLHJNI-JTQLQIEISA-N 1 2 228.292 0.549 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1cnn(C)n1 ZINC000383597514 710983062 /nfs/dbraw/zinc/98/30/62/710983062.db2.gz PKUHAWDOROQKTK-UHFFFAOYSA-N 1 2 234.307 0.401 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC000380674205 712902190 /nfs/dbraw/zinc/90/21/90/712902190.db2.gz CLVMSRUXYYLKGF-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO Cn1c(=[NH2+])[n-]nc1SC[C@H]1CCC[N@@H+]1C ZINC000386653667 711034675 /nfs/dbraw/zinc/03/46/75/711034675.db2.gz QXZRPASDOUYKAA-SSDOTTSWSA-N 1 2 227.337 0.414 20 0 BCADLO Cn1c(=[NH2+])[n-]nc1SC[C@H]1CCC[N@H+]1C ZINC000386653667 711034679 /nfs/dbraw/zinc/03/46/79/711034679.db2.gz QXZRPASDOUYKAA-SSDOTTSWSA-N 1 2 227.337 0.414 20 0 BCADLO COc1cncnc1NCc1c[nH+]cn1C ZINC000388379423 711059577 /nfs/dbraw/zinc/05/95/77/711059577.db2.gz JUMKWZOBVBNFLO-UHFFFAOYSA-N 1 2 219.248 0.253 20 0 BCADLO CC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001069849021 711071566 /nfs/dbraw/zinc/07/15/66/711071566.db2.gz YXQOHVZRHHGPFV-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001069849021 711071572 /nfs/dbraw/zinc/07/15/72/711071572.db2.gz YXQOHVZRHHGPFV-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCn1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000389808726 711088925 /nfs/dbraw/zinc/08/89/25/711088925.db2.gz DWBWLPWGMKCIKK-SECBINFHSA-N 1 2 234.307 0.882 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000390049473 711105251 /nfs/dbraw/zinc/10/52/51/711105251.db2.gz PPNODQRCOQZUEB-XTULLQBASA-N 1 2 226.276 0.055 20 0 BCADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@@H]1C(N)=O ZINC000390049473 711105252 /nfs/dbraw/zinc/10/52/52/711105252.db2.gz PPNODQRCOQZUEB-XTULLQBASA-N 1 2 226.276 0.055 20 0 BCADLO CO[C@@H](C[NH2+]Cc1cnn(C)n1)C(F)(F)F ZINC000393148168 711155146 /nfs/dbraw/zinc/15/51/46/711155146.db2.gz JIWCXURJTADYOU-ZETCQYMHSA-N 1 2 238.213 0.482 20 0 BCADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncccn2)C1 ZINC001071283165 711184733 /nfs/dbraw/zinc/18/47/33/711184733.db2.gz ULHPZRWLZKEKSG-ZYHUDNBSSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncccn2)C1 ZINC001071283165 711184734 /nfs/dbraw/zinc/18/47/34/711184734.db2.gz ULHPZRWLZKEKSG-ZYHUDNBSSA-N 1 2 248.330 0.966 20 0 BCADLO CCCOC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000394789756 711198416 /nfs/dbraw/zinc/19/84/16/711198416.db2.gz IRFZUXKMUJMKLC-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO CCCNc1cc(NCc2cnnn2C)nc[nH+]1 ZINC000394936391 711200059 /nfs/dbraw/zinc/20/00/59/711200059.db2.gz YRTYXVPSFMUTMB-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO CCCNc1cc(NCc2cnnn2C)[nH+]cn1 ZINC000394936391 711200064 /nfs/dbraw/zinc/20/00/64/711200064.db2.gz YRTYXVPSFMUTMB-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cccnc2Cl)C[C@H]1O ZINC000395354480 711208593 /nfs/dbraw/zinc/20/85/93/711208593.db2.gz JEKVGGZPJDPJIQ-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cccnc2Cl)C[C@H]1O ZINC000395354480 711208596 /nfs/dbraw/zinc/20/85/96/711208596.db2.gz JEKVGGZPJDPJIQ-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1O ZINC000395360181 711209137 /nfs/dbraw/zinc/20/91/37/711209137.db2.gz LFKOUYDHIZEAKC-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1O ZINC000395360181 711209140 /nfs/dbraw/zinc/20/91/40/711209140.db2.gz LFKOUYDHIZEAKC-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398399517 711409555 /nfs/dbraw/zinc/40/95/55/711409555.db2.gz MGMDLRPTWAJRLN-UWVGGRQHSA-N 1 2 222.292 0.852 20 0 BCADLO CO[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398399517 711409557 /nfs/dbraw/zinc/40/95/57/711409557.db2.gz MGMDLRPTWAJRLN-UWVGGRQHSA-N 1 2 222.292 0.852 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cnn(C)n1 ZINC000399341005 711428301 /nfs/dbraw/zinc/42/83/01/711428301.db2.gz SONZUJRRCMKSGQ-PSASIEDQSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cnn(C)n1 ZINC000399341005 711428302 /nfs/dbraw/zinc/42/83/02/711428302.db2.gz SONZUJRRCMKSGQ-PSASIEDQSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1c[nH+]cc1CNc1cc(Cl)nc(N)n1 ZINC000381137830 710604405 /nfs/dbraw/zinc/60/44/05/710604405.db2.gz MBMWAXGMWFIKSF-UHFFFAOYSA-N 1 2 238.682 0.310 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001042403124 710780951 /nfs/dbraw/zinc/78/09/51/710780951.db2.gz CBEPQOHVVMGLQP-UHFFFAOYSA-N 1 2 206.236 0.804 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001056091849 710946629 /nfs/dbraw/zinc/94/66/29/710946629.db2.gz DRMJQJZTRVGIQO-IWIIMEHWSA-N 1 2 246.314 0.746 20 0 BCADLO CCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058275862 710966524 /nfs/dbraw/zinc/96/65/24/710966524.db2.gz PAJWCVQAHBWOLC-JTQLQIEISA-N 1 2 234.303 0.890 20 0 BCADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)C[C@@H]1O ZINC000399892796 711436498 /nfs/dbraw/zinc/43/64/98/711436498.db2.gz YRMXWLYBKLXYBN-IUCAKERBSA-N 1 2 222.292 0.725 20 0 BCADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)C[C@@H]1O ZINC000399892796 711436501 /nfs/dbraw/zinc/43/65/01/711436501.db2.gz YRMXWLYBKLXYBN-IUCAKERBSA-N 1 2 222.292 0.725 20 0 BCADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074130133 711441127 /nfs/dbraw/zinc/44/11/27/711441127.db2.gz BXBZWVPSUFGSGZ-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074130133 711441130 /nfs/dbraw/zinc/44/11/30/711441130.db2.gz BXBZWVPSUFGSGZ-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H]1CCn2ccnc21 ZINC000383298715 711547316 /nfs/dbraw/zinc/54/73/16/711547316.db2.gz LLNJNRLVAXUPQA-JTQLQIEISA-N 1 2 236.319 0.786 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C[C@H]1F ZINC000934565267 711593991 /nfs/dbraw/zinc/59/39/91/711593991.db2.gz BUQZJOSJXAFVGO-IJLUTSLNSA-N 1 2 247.310 0.934 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C[C@H]1F ZINC000934565267 711593995 /nfs/dbraw/zinc/59/39/95/711593995.db2.gz BUQZJOSJXAFVGO-IJLUTSLNSA-N 1 2 247.310 0.934 20 0 BCADLO CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)OC ZINC000724654983 711606244 /nfs/dbraw/zinc/60/62/44/711606244.db2.gz YXKLHMCJPNEMKU-ZNSHCXBVSA-N 1 2 243.303 0.332 20 0 BCADLO CCn1cc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC000724694019 711608873 /nfs/dbraw/zinc/60/88/73/711608873.db2.gz ZVXROAFSUDDJMY-SSDOTTSWSA-N 1 2 232.234 0.824 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](NC(N)=O)C2)c(C)[nH+]1 ZINC000724774909 711611450 /nfs/dbraw/zinc/61/14/50/711611450.db2.gz QFPSZJSVKFPOKK-SECBINFHSA-N 1 2 237.307 0.269 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1csnn1 ZINC000724867500 711622192 /nfs/dbraw/zinc/62/21/92/711622192.db2.gz CKWMMMJNGCRBQN-RKDXNWHRSA-N 1 2 229.305 0.432 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nccc(C)n1 ZINC000724883534 711625797 /nfs/dbraw/zinc/62/57/97/711625797.db2.gz WAVHGBVKMFCHKA-GHMZBOCLSA-N 1 2 237.303 0.679 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccon1 ZINC000724888475 711626105 /nfs/dbraw/zinc/62/61/05/711626105.db2.gz ZTUIQVIIMDDTHK-NXEZZACHSA-N 1 2 212.249 0.568 20 0 BCADLO CC[N@H+](CCO[C@H]1CCOC1)CC(=O)OC ZINC000724962719 711638036 /nfs/dbraw/zinc/63/80/36/711638036.db2.gz ZFPLRHIWUCOPHS-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@@H+](CCO[C@H]1CCOC1)CC(=O)OC ZINC000724962719 711638037 /nfs/dbraw/zinc/63/80/37/711638037.db2.gz ZFPLRHIWUCOPHS-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725025760 711644060 /nfs/dbraw/zinc/64/40/60/711644060.db2.gz DIXJDVBGRDWGNS-JTQLQIEISA-N 1 2 215.293 0.690 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782611815 711677456 /nfs/dbraw/zinc/67/74/56/711677456.db2.gz FIIRIZDLGYRUMP-RNCFNFMXSA-N 1 2 249.314 0.559 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782611815 711677457 /nfs/dbraw/zinc/67/74/57/711677457.db2.gz FIIRIZDLGYRUMP-RNCFNFMXSA-N 1 2 249.314 0.559 20 0 BCADLO Cc1cnc(C[NH2+]CCS(C)(=O)=O)s1 ZINC000394735296 711689742 /nfs/dbraw/zinc/68/97/42/711689742.db2.gz RLWIXORNOWMVHQ-UHFFFAOYSA-N 1 2 234.346 0.586 20 0 BCADLO CNc1cc(N2CCn3ncnc3C2)nc[nH+]1 ZINC000893238294 711699673 /nfs/dbraw/zinc/69/96/73/711699673.db2.gz NNHYITQECUFJDW-UHFFFAOYSA-N 1 2 231.263 0.130 20 0 BCADLO CNc1cc(N2CCn3ncnc3C2)[nH+]cn1 ZINC000893238294 711699675 /nfs/dbraw/zinc/69/96/75/711699675.db2.gz NNHYITQECUFJDW-UHFFFAOYSA-N 1 2 231.263 0.130 20 0 BCADLO Cc1nnc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]1 ZINC000931462032 711720342 /nfs/dbraw/zinc/72/03/42/711720342.db2.gz JCWUDMOOYKXRKE-ZETCQYMHSA-N 1 2 232.291 0.956 20 0 BCADLO Cc1nnc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]1 ZINC000931462032 711720344 /nfs/dbraw/zinc/72/03/44/711720344.db2.gz JCWUDMOOYKXRKE-ZETCQYMHSA-N 1 2 232.291 0.956 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H](CO)O1 ZINC000893418381 711720923 /nfs/dbraw/zinc/72/09/23/711720923.db2.gz WZJRIEYQCZJNND-NXEZZACHSA-N 1 2 248.286 0.315 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)nn1 ZINC000893555955 711735821 /nfs/dbraw/zinc/73/58/21/711735821.db2.gz NBQNVWHZKZNKES-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)nn1 ZINC000893555955 711735823 /nfs/dbraw/zinc/73/58/23/711735823.db2.gz NBQNVWHZKZNKES-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO CCN1CCC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000722348304 711743312 /nfs/dbraw/zinc/74/33/12/711743312.db2.gz SNQFLTUMSFKAIE-SNVBAGLBSA-N 1 2 223.276 0.775 20 0 BCADLO Cc1ccnc(N)c1C[NH2+]Cc1ccn(C)n1 ZINC000894369127 711769844 /nfs/dbraw/zinc/76/98/44/711769844.db2.gz RMRZKENUPLWNBB-UHFFFAOYSA-N 1 2 231.303 0.996 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CCCO)C1 ZINC000909436944 711775765 /nfs/dbraw/zinc/77/57/65/711775765.db2.gz CRNAHLWKSYTYFZ-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897405334 711790455 /nfs/dbraw/zinc/79/04/55/711790455.db2.gz ZQODSEUNROHIKS-QMMMGPOBSA-N 1 2 237.307 0.626 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897405334 711790457 /nfs/dbraw/zinc/79/04/57/711790457.db2.gz ZQODSEUNROHIKS-QMMMGPOBSA-N 1 2 237.307 0.626 20 0 BCADLO CC1CC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001076865795 711809612 /nfs/dbraw/zinc/80/96/12/711809612.db2.gz VJOWYGJHODLNOA-JPPWEJMLSA-N 1 2 244.310 0.163 20 0 BCADLO CC1CC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001076865795 711809613 /nfs/dbraw/zinc/80/96/13/711809613.db2.gz VJOWYGJHODLNOA-JPPWEJMLSA-N 1 2 244.310 0.163 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(F)n1 ZINC000161420393 711811749 /nfs/dbraw/zinc/81/17/49/711811749.db2.gz PLNPGXSHRWXFGH-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907535058 711815779 /nfs/dbraw/zinc/81/57/79/711815779.db2.gz QOZGBYMQUVDRSP-DTWKUNHWSA-N 1 2 223.276 0.228 20 0 BCADLO CN(OCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000913353884 711821871 /nfs/dbraw/zinc/82/18/71/711821871.db2.gz LARVNOGQFNWKGC-UHFFFAOYSA-N 1 2 237.181 0.905 20 0 BCADLO CC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001030037824 711825715 /nfs/dbraw/zinc/82/57/15/711825715.db2.gz BRJGQKTVCCFAKF-GZMMTYOYSA-N 1 2 212.293 0.374 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1ncccc1O ZINC001030241580 711829381 /nfs/dbraw/zinc/82/93/81/711829381.db2.gz ICCNBMPTIRJWAJ-UHFFFAOYSA-N 1 2 247.298 0.611 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)sn2)C1 ZINC001030257843 711829513 /nfs/dbraw/zinc/82/95/13/711829513.db2.gz HJLKSQPOUCCHKK-UHFFFAOYSA-N 1 2 225.317 0.885 20 0 BCADLO O=C(C[C@@H]1C[C@H]1C1CC1)NC1C[NH+](CCO)C1 ZINC001030705118 711841023 /nfs/dbraw/zinc/84/10/23/711841023.db2.gz NAVFQQHAQIYZGP-JQWIXIFHSA-N 1 2 238.331 0.215 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1csnn1 ZINC001015430836 711861944 /nfs/dbraw/zinc/86/19/44/711861944.db2.gz ZVJTYHUWQWGYNG-SSDOTTSWSA-N 1 2 244.295 0.312 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1csnn1 ZINC001015430836 711861946 /nfs/dbraw/zinc/86/19/46/711861946.db2.gz ZVJTYHUWQWGYNG-SSDOTTSWSA-N 1 2 244.295 0.312 20 0 BCADLO CNc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc[nH+]1 ZINC000131407733 711918798 /nfs/dbraw/zinc/91/87/98/711918798.db2.gz HRCYPZBWQCWAFB-RKDXNWHRSA-N 1 2 249.318 0.609 20 0 BCADLO CNc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)[nH+]cn1 ZINC000131407733 711918799 /nfs/dbraw/zinc/91/87/99/711918799.db2.gz HRCYPZBWQCWAFB-RKDXNWHRSA-N 1 2 249.318 0.609 20 0 BCADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636935 711930171 /nfs/dbraw/zinc/93/01/71/711930171.db2.gz DHIUAONUWGOXBP-QWRGUYRKSA-N 1 2 249.318 0.042 20 0 BCADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636935 711930172 /nfs/dbraw/zinc/93/01/72/711930172.db2.gz DHIUAONUWGOXBP-QWRGUYRKSA-N 1 2 249.318 0.042 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001054300779 711946088 /nfs/dbraw/zinc/94/60/88/711946088.db2.gz PNTZPSGTEDKEKA-GMSGAONNSA-N 1 2 240.332 0.495 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](O)C1 ZINC000360112567 711959653 /nfs/dbraw/zinc/95/96/53/711959653.db2.gz YZUHSDCWQOXPDE-SNVBAGLBSA-N 1 2 238.291 0.086 20 0 BCADLO Nc1ccc(COC(=O)[C@H](O)C2CCC2)c[nH+]1 ZINC000922790879 711976220 /nfs/dbraw/zinc/97/62/20/711976220.db2.gz JXHJDROJCMHIKD-LLVKDONJSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1ccc(COC(=O)[C@@H](O)C2CCC2)c[nH+]1 ZINC000922790881 711976347 /nfs/dbraw/zinc/97/63/47/711976347.db2.gz JXHJDROJCMHIKD-NSHDSACASA-N 1 2 236.271 0.868 20 0 BCADLO CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033309284 711981886 /nfs/dbraw/zinc/98/18/86/711981886.db2.gz MSOXZDPUJIYRDR-SECBINFHSA-N 1 2 241.266 0.790 20 0 BCADLO CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033309284 711981888 /nfs/dbraw/zinc/98/18/88/711981888.db2.gz MSOXZDPUJIYRDR-SECBINFHSA-N 1 2 241.266 0.790 20 0 BCADLO CNc1cc(N2CC[C@H](C)[C@@H](CO)C2)nc[nH+]1 ZINC000700452835 711995273 /nfs/dbraw/zinc/99/52/73/711995273.db2.gz VQFDISFJXJHWAR-VHSXEESVSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2CC[C@H](C)[C@@H](CO)C2)[nH+]cn1 ZINC000700452835 711995274 /nfs/dbraw/zinc/99/52/74/711995274.db2.gz VQFDISFJXJHWAR-VHSXEESVSA-N 1 2 236.319 0.973 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](O)c1ccccc1 ZINC000701150690 712017271 /nfs/dbraw/zinc/01/72/71/712017271.db2.gz YFKCQBUHPRJVKL-GFCCVEGCSA-N 1 2 245.282 0.802 20 0 BCADLO Fc1ccc(F)c(C[NH2+][C@H]2CNOC2)c1 ZINC000703350904 712072797 /nfs/dbraw/zinc/07/27/97/712072797.db2.gz PZEFKRMJEHUOHS-VIFPVBQESA-N 1 2 214.215 0.958 20 0 BCADLO Cc1cocc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000705159784 712123117 /nfs/dbraw/zinc/12/31/17/712123117.db2.gz LFRMEXSGOZZGLL-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1cocc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000705159784 712123118 /nfs/dbraw/zinc/12/31/18/712123118.db2.gz LFRMEXSGOZZGLL-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706174920 712141521 /nfs/dbraw/zinc/14/15/21/712141521.db2.gz HJQANRSEUNFZJU-CBAPKCEASA-N 1 2 229.711 0.886 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706174920 712141522 /nfs/dbraw/zinc/14/15/22/712141522.db2.gz HJQANRSEUNFZJU-CBAPKCEASA-N 1 2 229.711 0.886 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)N1CCCC1 ZINC000707381759 712169891 /nfs/dbraw/zinc/16/98/91/712169891.db2.gz JUQFTXIMGFKECP-UHFFFAOYSA-N 1 2 220.276 0.956 20 0 BCADLO O=Cc1cnc(N2CC(n3cc[nH+]c3)C2)nc1 ZINC000707608925 712176449 /nfs/dbraw/zinc/17/64/49/712176449.db2.gz LUHLDGXKTUOSEE-UHFFFAOYSA-N 1 2 229.243 0.547 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000708748618 712198224 /nfs/dbraw/zinc/19/82/24/712198224.db2.gz KBTWDPOJVCUKKG-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2COC[C@H]2O)o1 ZINC000708748618 712198226 /nfs/dbraw/zinc/19/82/26/712198226.db2.gz KBTWDPOJVCUKKG-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CNc1cc(N(C)C[C@H](O)C2CC2)nc[nH+]1 ZINC000708562423 712213236 /nfs/dbraw/zinc/21/32/36/712213236.db2.gz RDLAMQMSNCSIHI-VIFPVBQESA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N(C)C[C@H](O)C2CC2)[nH+]cn1 ZINC000708562423 712213237 /nfs/dbraw/zinc/21/32/37/712213237.db2.gz RDLAMQMSNCSIHI-VIFPVBQESA-N 1 2 222.292 0.725 20 0 BCADLO O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000710916869 712263268 /nfs/dbraw/zinc/26/32/68/712263268.db2.gz TUFJGJAFEWMQGI-MVWJERBFSA-N 1 2 237.303 0.527 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H](CF)C1 ZINC000711434261 712300017 /nfs/dbraw/zinc/30/00/17/712300017.db2.gz DMKZOHIMAAVXLK-ZETCQYMHSA-N 1 2 226.255 0.863 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)C(N)=O ZINC000711787024 712330099 /nfs/dbraw/zinc/33/00/99/712330099.db2.gz NBBTUJWNGXLWHS-SSDOTTSWSA-N 1 2 208.265 0.181 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001079328940 712346994 /nfs/dbraw/zinc/34/69/94/712346994.db2.gz UEUVWSWYQRHUGJ-CKYFFXLPSA-N 1 2 248.330 0.994 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001079328940 712346997 /nfs/dbraw/zinc/34/69/97/712346997.db2.gz UEUVWSWYQRHUGJ-CKYFFXLPSA-N 1 2 248.330 0.994 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079328941 712347158 /nfs/dbraw/zinc/34/71/58/712347158.db2.gz UEUVWSWYQRHUGJ-JFGNBEQYSA-N 1 2 248.330 0.994 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079328941 712347159 /nfs/dbraw/zinc/34/71/59/712347159.db2.gz UEUVWSWYQRHUGJ-JFGNBEQYSA-N 1 2 248.330 0.994 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)n[nH]c2C)C1 ZINC000379103447 712369742 /nfs/dbraw/zinc/36/97/42/712369742.db2.gz PNROGJRGGDPVQZ-UHFFFAOYSA-N 1 2 222.292 0.460 20 0 BCADLO CCOCCC[NH2+][C@@]1(C)CCOC1=O ZINC000379593531 712389738 /nfs/dbraw/zinc/38/97/38/712389738.db2.gz BVJJDRVDLFRWGJ-JTQLQIEISA-N 1 2 201.266 0.708 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1c(O)cccc1F ZINC000712284713 712394753 /nfs/dbraw/zinc/39/47/53/712394753.db2.gz NSBWTJQNKWWGQX-MRVPVSSYSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1c(O)cccc1F ZINC000712284713 712394755 /nfs/dbraw/zinc/39/47/55/712394755.db2.gz NSBWTJQNKWWGQX-MRVPVSSYSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000712299531 712395195 /nfs/dbraw/zinc/39/51/95/712395195.db2.gz OCYXJYJBNVSHNH-JTQLQIEISA-N 1 2 240.328 0.669 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000712299531 712395196 /nfs/dbraw/zinc/39/51/96/712395196.db2.gz OCYXJYJBNVSHNH-JTQLQIEISA-N 1 2 240.328 0.669 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC1OCCO1 ZINC000759831960 712409578 /nfs/dbraw/zinc/40/95/78/712409578.db2.gz GXIUJOQDUKORDT-NSHDSACASA-N 1 2 229.276 0.387 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC1OCCO1 ZINC000759831960 712409579 /nfs/dbraw/zinc/40/95/79/712409579.db2.gz GXIUJOQDUKORDT-NSHDSACASA-N 1 2 229.276 0.387 20 0 BCADLO CCCn1cc(C[NH2+]Cc2ccnn2C)nn1 ZINC000714506381 712493211 /nfs/dbraw/zinc/49/32/11/712493211.db2.gz GHNJLOJKTMQFJN-UHFFFAOYSA-N 1 2 234.307 0.711 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccnc(OC)c2)nn1 ZINC000714881252 712498776 /nfs/dbraw/zinc/49/87/76/712498776.db2.gz UKKJIODSVJBVNV-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CCn1cc(C[NH2+]CCN2CCCCC2)nn1 ZINC000714927786 712500559 /nfs/dbraw/zinc/50/05/59/712500559.db2.gz KPZINGUSCXQJTJ-UHFFFAOYSA-N 1 2 237.351 0.874 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cn(C)nn1 ZINC000715856178 712537024 /nfs/dbraw/zinc/53/70/24/712537024.db2.gz ZHZGVHGKWBXGCN-IUCAKERBSA-N 1 2 237.307 0.087 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@@H+]1C)c1cn(C)nn1 ZINC000715883883 712539922 /nfs/dbraw/zinc/53/99/22/712539922.db2.gz NMPQJXTZUBYDJU-RKDXNWHRSA-N 1 2 209.297 0.170 20 0 BCADLO C[C@@H](NC[C@H]1CC[N@H+]1C)c1cn(C)nn1 ZINC000715883883 712539923 /nfs/dbraw/zinc/53/99/23/712539923.db2.gz NMPQJXTZUBYDJU-RKDXNWHRSA-N 1 2 209.297 0.170 20 0 BCADLO CCCn1cc([C@@H](C)[NH2+][C@H]2CCNC2=O)nn1 ZINC000715958228 712545691 /nfs/dbraw/zinc/54/56/91/712545691.db2.gz MAVGKKZYAHALRH-BDAKNGLRSA-N 1 2 237.307 0.227 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1OCCCO1 ZINC000716410722 712559316 /nfs/dbraw/zinc/55/93/16/712559316.db2.gz WBQBPPXXJZXUIX-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO CCn1cc(C[NH2+]Cc2[nH]nc(C)c2C)nn1 ZINC000716467900 712563457 /nfs/dbraw/zinc/56/34/57/712563457.db2.gz ALKGGVUUIQSNJW-UHFFFAOYSA-N 1 2 234.307 0.928 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cn(C)cn1 ZINC000379820536 712612621 /nfs/dbraw/zinc/61/26/21/712612621.db2.gz UCGPQVWNKRRUDD-UHFFFAOYSA-N 1 2 210.281 0.034 20 0 BCADLO O=C1CCN1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000857236981 712616339 /nfs/dbraw/zinc/61/63/39/712616339.db2.gz MVJWKTUDDZKYPD-SNVBAGLBSA-N 1 2 235.291 0.105 20 0 BCADLO O=C1CCN1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000857236981 712616340 /nfs/dbraw/zinc/61/63/40/712616340.db2.gz MVJWKTUDDZKYPD-SNVBAGLBSA-N 1 2 235.291 0.105 20 0 BCADLO Cc1[nH+]ccn1CCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000384933865 712705469 /nfs/dbraw/zinc/70/54/69/712705469.db2.gz ATPFSOWZYWQYSU-UHFFFAOYSA-N 1 2 246.270 0.819 20 0 BCADLO COC(CC[N@@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000931143916 712713748 /nfs/dbraw/zinc/71/37/48/712713748.db2.gz ZWZWERPRQPBBRC-VIFPVBQESA-N 1 2 240.307 0.951 20 0 BCADLO COC(CC[N@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000931143916 712713749 /nfs/dbraw/zinc/71/37/49/712713749.db2.gz ZWZWERPRQPBBRC-VIFPVBQESA-N 1 2 240.307 0.951 20 0 BCADLO Cc1nc(N2CC[C@H](C3OCCO3)C2)cc[nH+]1 ZINC000719022985 712794158 /nfs/dbraw/zinc/79/41/58/712794158.db2.gz RXPYCCCVJCMVGC-JTQLQIEISA-N 1 2 235.287 0.984 20 0 BCADLO Cc1nc(N2CC[C@@H](C3OCCO3)C2)cc[nH+]1 ZINC000719022989 712794302 /nfs/dbraw/zinc/79/43/02/712794302.db2.gz RXPYCCCVJCMVGC-SNVBAGLBSA-N 1 2 235.287 0.984 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1cc(C)on1 ZINC000720390782 712837793 /nfs/dbraw/zinc/83/77/93/712837793.db2.gz PGEIMZGRQVFJFP-SECBINFHSA-N 1 2 200.238 0.080 20 0 BCADLO Cc1nc(C[NH2+][C@@H](CCO)C2CC2)no1 ZINC000380294278 712862425 /nfs/dbraw/zinc/86/24/25/712862425.db2.gz CGISCQCZMXFPEQ-VIFPVBQESA-N 1 2 211.265 0.629 20 0 BCADLO CCC(CC)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000283195072 168318445 /nfs/dbraw/zinc/31/84/45/168318445.db2.gz RBBWSVDZACYNSU-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1cc[nH]n1 ZINC000488302866 538914073 /nfs/dbraw/zinc/91/40/73/538914073.db2.gz ANAWWNKPZJFBJH-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccn[nH]1 ZINC000488302866 538914074 /nfs/dbraw/zinc/91/40/74/538914074.db2.gz ANAWWNKPZJFBJH-UHFFFAOYSA-N 1 2 247.302 0.697 20 0 BCADLO C[C@@H](C[S@](C)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602130655 349457904 /nfs/dbraw/zinc/45/79/04/349457904.db2.gz OJGKGUPAMWKVRL-PUTJDCORSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@@H](C[S@](C)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602130655 349457909 /nfs/dbraw/zinc/45/79/09/349457909.db2.gz OJGKGUPAMWKVRL-PUTJDCORSA-N 1 2 246.376 0.354 20 0 BCADLO CC(C)N1CC[C@H]([NH+]2CCOCC2)C1=O ZINC000175028940 365525084 /nfs/dbraw/zinc/52/50/84/365525084.db2.gz SIHDQXMNLJHFAY-JTQLQIEISA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000649859547 398143624 /nfs/dbraw/zinc/14/36/24/398143624.db2.gz OUSXULHOVCAMGY-NXEZZACHSA-N 1 2 223.276 0.739 20 0 BCADLO CSCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000602244315 349485835 /nfs/dbraw/zinc/48/58/35/349485835.db2.gz CNBGETZFJIOKHH-QMMMGPOBSA-N 1 2 240.332 0.470 20 0 BCADLO CC(C)C[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000062743273 349491535 /nfs/dbraw/zinc/49/15/35/349491535.db2.gz OTWDYTKMCMLOPY-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO CC(C)C[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000062743273 349491538 /nfs/dbraw/zinc/49/15/38/349491538.db2.gz OTWDYTKMCMLOPY-UHFFFAOYSA-N 1 2 225.292 0.926 20 0 BCADLO CO[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000526942173 262798217 /nfs/dbraw/zinc/79/82/17/262798217.db2.gz IBMXULPQCPNXFL-MRVPVSSYSA-N 1 2 211.265 0.114 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000649863695 398147375 /nfs/dbraw/zinc/14/73/75/398147375.db2.gz MHSPXFBXJFCCEN-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000649863695 398147378 /nfs/dbraw/zinc/14/73/78/398147378.db2.gz MHSPXFBXJFCCEN-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CCC(CC)([NH2+]C[C@H](C)O)C(=O)OC ZINC000336645214 168330668 /nfs/dbraw/zinc/33/06/68/168330668.db2.gz BFDAZYJQHJZZFE-QMMMGPOBSA-N 1 2 203.282 0.689 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCOC1 ZINC000159412587 136214357 /nfs/dbraw/zinc/21/43/57/136214357.db2.gz QPAWAMPCBIEQIJ-QMMMGPOBSA-N 1 2 224.264 0.008 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1ncnn1CCF ZINC000649871014 398153047 /nfs/dbraw/zinc/15/30/47/398153047.db2.gz PSUCGNXBSHYXIL-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1ncnn1CCF ZINC000649871014 398153050 /nfs/dbraw/zinc/15/30/50/398153050.db2.gz PSUCGNXBSHYXIL-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO COC[C@@]1(C)C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000626176140 346816661 /nfs/dbraw/zinc/81/66/61/346816661.db2.gz GOZSRJJBTINKOA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@]1(C)C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000626176140 346816663 /nfs/dbraw/zinc/81/66/63/346816663.db2.gz GOZSRJJBTINKOA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000649869341 398154322 /nfs/dbraw/zinc/15/43/22/398154322.db2.gz ATDZKWQLZNFLLQ-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000649869341 398154324 /nfs/dbraw/zinc/15/43/24/398154324.db2.gz ATDZKWQLZNFLLQ-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1csnn1 ZINC000649871347 398154372 /nfs/dbraw/zinc/15/43/72/398154372.db2.gz YMBAJAHDIIHBMU-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1csnn1 ZINC000649871347 398154374 /nfs/dbraw/zinc/15/43/74/398154374.db2.gz YMBAJAHDIIHBMU-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)nc(C)n1 ZINC000356980644 178012778 /nfs/dbraw/zinc/01/27/78/178012778.db2.gz KGTVDHFDETXDCX-UHFFFAOYSA-N 1 2 245.286 0.606 20 0 BCADLO C[C@H]1COCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408438185 398170164 /nfs/dbraw/zinc/17/01/64/398170164.db2.gz GHVXPECAHNQLGT-IUCAKERBSA-N 1 2 236.271 0.820 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000527510410 398170419 /nfs/dbraw/zinc/17/04/19/398170419.db2.gz MXPZEINCNFDDIU-JTQLQIEISA-N 1 2 230.283 0.325 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000527510410 398170422 /nfs/dbraw/zinc/17/04/22/398170422.db2.gz MXPZEINCNFDDIU-JTQLQIEISA-N 1 2 230.283 0.325 20 0 BCADLO COCC[N@H+](CC1(F)CC1)[C@H](C)C(N)=O ZINC000527510495 398170455 /nfs/dbraw/zinc/17/04/55/398170455.db2.gz BGFQOJSNHOQBEW-MRVPVSSYSA-N 1 2 218.272 0.311 20 0 BCADLO COCC[N@@H+](CC1(F)CC1)[C@H](C)C(N)=O ZINC000527510495 398170457 /nfs/dbraw/zinc/17/04/57/398170457.db2.gz BGFQOJSNHOQBEW-MRVPVSSYSA-N 1 2 218.272 0.311 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885051 398163155 /nfs/dbraw/zinc/16/31/55/398163155.db2.gz GYVADIQJPCEHJT-ZYHUDNBSSA-N 1 2 239.319 0.564 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885051 398163158 /nfs/dbraw/zinc/16/31/58/398163158.db2.gz GYVADIQJPCEHJT-ZYHUDNBSSA-N 1 2 239.319 0.564 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCC(C)(C)O ZINC000274721563 398163306 /nfs/dbraw/zinc/16/33/06/398163306.db2.gz BVKCRQURLIHRRF-UHFFFAOYSA-N 1 2 235.291 0.936 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885048 398163604 /nfs/dbraw/zinc/16/36/04/398163604.db2.gz GYVADIQJPCEHJT-CMPLNLGQSA-N 1 2 239.319 0.564 20 0 BCADLO C[C@H](O)CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885048 398163608 /nfs/dbraw/zinc/16/36/08/398163608.db2.gz GYVADIQJPCEHJT-CMPLNLGQSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@H](O)[C@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000313114124 398187591 /nfs/dbraw/zinc/18/75/91/398187591.db2.gz LKTQWVMDYUHAFU-UWVGGRQHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1cc(N2CCCNC(=O)[C@@H]2C)nc[nH+]1 ZINC000302748509 178114951 /nfs/dbraw/zinc/11/49/51/178114951.db2.gz GEADMHNMBVTWFE-VIFPVBQESA-N 1 2 220.276 0.500 20 0 BCADLO Cc1cc(N(C)CCC(N)=O)nc(C2CC2)[nH+]1 ZINC000286233196 178098246 /nfs/dbraw/zinc/09/82/46/178098246.db2.gz CLZFBEWDNMAHIW-UHFFFAOYSA-N 1 2 234.303 0.974 20 0 BCADLO Cc1cc(N(C)CCN2CCCC2=O)nc[nH+]1 ZINC000301244171 178099128 /nfs/dbraw/zinc/09/91/28/178099128.db2.gz PHVJAKULYIHKFU-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO Cc1cc(N(C)[C@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000301273146 178100377 /nfs/dbraw/zinc/10/03/77/178100377.db2.gz OBYNHKPIRWPMBH-SECBINFHSA-N 1 2 243.332 0.654 20 0 BCADLO Cc1cc(N(CCO)CCO)nc(C(C)C)[nH+]1 ZINC000040764633 178102384 /nfs/dbraw/zinc/10/23/84/178102384.db2.gz GKAOSAOLECQQGO-UHFFFAOYSA-N 1 2 239.319 0.699 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cncnc2)[C@H](C)C1 ZINC000271199825 538923705 /nfs/dbraw/zinc/92/37/05/538923705.db2.gz SWQKYOHDJAHCLB-SNVBAGLBSA-N 1 2 234.303 0.529 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cncnc2)[C@H](C)C1 ZINC000271199825 538923707 /nfs/dbraw/zinc/92/37/07/538923707.db2.gz SWQKYOHDJAHCLB-SNVBAGLBSA-N 1 2 234.303 0.529 20 0 BCADLO CN1CC[N@H+](CCOC(C)(C)C)CC1=O ZINC000119397353 398196073 /nfs/dbraw/zinc/19/60/73/398196073.db2.gz ZGTPAJXGLROQIY-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CN1CC[N@@H+](CCOC(C)(C)C)CC1=O ZINC000119397353 398196077 /nfs/dbraw/zinc/19/60/77/398196077.db2.gz ZGTPAJXGLROQIY-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCc1cc(NCC[C@](C)(O)COC)nc[nH+]1 ZINC000649389672 398196385 /nfs/dbraw/zinc/19/63/85/398196385.db2.gz XFMZKPRXVPNPGT-LBPRGKRZSA-N 1 2 239.319 0.660 20 0 BCADLO Cc1cc(N)nc(SC[C@H]2CNC(=O)O2)[nH+]1 ZINC000105831152 178109729 /nfs/dbraw/zinc/10/97/29/178109729.db2.gz UFOTWCIXKUXPOB-ZCFIWIBFSA-N 1 2 240.288 0.568 20 0 BCADLO Cc1cc(N)nc(S[C@@H]2CCNC2=O)[nH+]1 ZINC000179000670 178110126 /nfs/dbraw/zinc/11/01/26/178110126.db2.gz HGOOPIHOFSVPHA-ZCFIWIBFSA-N 1 2 224.289 0.348 20 0 BCADLO Cc1cc(N2CCOC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000295899815 178115918 /nfs/dbraw/zinc/11/59/18/178115918.db2.gz CLVWKFYNKOVROM-LLVKDONJSA-N 1 2 249.314 0.860 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081559610 136219179 /nfs/dbraw/zinc/21/91/79/136219179.db2.gz QOFBXMMAPKSVOB-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)cc[nH+]1 ZINC000136071031 178125950 /nfs/dbraw/zinc/12/59/50/178125950.db2.gz ZGOGLNBKMLFSPF-UHFFFAOYSA-N 1 2 246.270 0.937 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000178012909 178130254 /nfs/dbraw/zinc/13/02/54/178130254.db2.gz NWBYGIYFFTYOSR-NSHDSACASA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000178012909 178130258 /nfs/dbraw/zinc/13/02/58/178130258.db2.gz NWBYGIYFFTYOSR-NSHDSACASA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)on1 ZINC000106883501 178131100 /nfs/dbraw/zinc/13/11/00/178131100.db2.gz KSYOVCTZICIFHM-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCOC2)on1 ZINC000106883501 178131101 /nfs/dbraw/zinc/13/11/01/178131101.db2.gz KSYOVCTZICIFHM-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)on1 ZINC000351815704 178132738 /nfs/dbraw/zinc/13/27/38/178132738.db2.gz WVUFYDHKILUSRC-CBAPKCEASA-N 1 2 239.275 0.234 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)on1 ZINC000351815704 178132741 /nfs/dbraw/zinc/13/27/41/178132741.db2.gz WVUFYDHKILUSRC-CBAPKCEASA-N 1 2 239.275 0.234 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CO1 ZINC000648635180 398207183 /nfs/dbraw/zinc/20/71/83/398207183.db2.gz FWPYFMFQDGOHMO-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CO1 ZINC000648635181 398207270 /nfs/dbraw/zinc/20/72/70/398207270.db2.gz FWPYFMFQDGOHMO-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO Cc1cc(NC(=O)N2CC(=O)N[C@@H](C)C2)cc[nH+]1 ZINC000297709845 178136051 /nfs/dbraw/zinc/13/60/51/178136051.db2.gz IWYHXGFPJFDYNK-VIFPVBQESA-N 1 2 248.286 0.742 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@H](O)C2)cc[nH+]1 ZINC000119504898 178137903 /nfs/dbraw/zinc/13/79/03/178137903.db2.gz LQWFSGBHWPJSBY-JTQLQIEISA-N 1 2 221.260 0.989 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1ccc(O)cc1 ZINC000163452321 538928790 /nfs/dbraw/zinc/92/87/90/538928790.db2.gz IOPOGCLDCKGBLE-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccon1 ZINC000336767377 136221262 /nfs/dbraw/zinc/22/12/62/136221262.db2.gz SZHWPVDLKAVIBQ-SFYZADRCSA-N 1 2 211.265 0.802 20 0 BCADLO Cc1cc(NCCCCS(N)(=O)=O)nc[nH+]1 ZINC000310192862 178159809 /nfs/dbraw/zinc/15/98/09/178159809.db2.gz XVWYHFAYIYVIET-UHFFFAOYSA-N 1 2 244.320 0.266 20 0 BCADLO Cc1cc(NCCCN2C(=O)CCC2=O)nc[nH+]1 ZINC000301293207 178160013 /nfs/dbraw/zinc/16/00/13/178160013.db2.gz XKOJQYWBVMGIDF-UHFFFAOYSA-N 1 2 248.286 0.736 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCOC1)c1ncn(C)n1 ZINC000336758024 398212768 /nfs/dbraw/zinc/21/27/68/398212768.db2.gz KHAHHUDOGNCTNB-DTWKUNHWSA-N 1 2 210.281 0.645 20 0 BCADLO Cc1cc(NCCn2cncn2)nc[nH+]1 ZINC000309188578 178164270 /nfs/dbraw/zinc/16/42/70/178164270.db2.gz PHMUHMSDLFMVJY-UHFFFAOYSA-N 1 2 204.237 0.489 20 0 BCADLO Cc1cc(NC[C@@H]2COCCO2)nc[nH+]1 ZINC000040727376 178167068 /nfs/dbraw/zinc/16/70/68/178167068.db2.gz XUQFOOHMUAGZMY-SECBINFHSA-N 1 2 209.249 0.612 20 0 BCADLO Cc1cc(NC[C@H]2COCCO2)nc[nH+]1 ZINC000040727378 178170589 /nfs/dbraw/zinc/17/05/89/178170589.db2.gz XUQFOOHMUAGZMY-VIFPVBQESA-N 1 2 209.249 0.612 20 0 BCADLO CCn1cc[nH+]c1CNCc1nccc(OC)n1 ZINC000576457162 365599918 /nfs/dbraw/zinc/59/99/18/365599918.db2.gz GLCZSXCAVXSYQB-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2ccn(C)n2)C1 ZINC000576411382 365590737 /nfs/dbraw/zinc/59/07/37/365590737.db2.gz FACMJBQHANHIIY-MRVPVSSYSA-N 1 2 222.292 0.301 20 0 BCADLO Cc1cc(N[C@@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000110578340 178182961 /nfs/dbraw/zinc/18/29/61/178182961.db2.gz VQNIJXRWKHKTBS-SECBINFHSA-N 1 2 230.275 0.803 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCOC[C@@H]1C1CC1 ZINC000276504648 538932598 /nfs/dbraw/zinc/93/25/98/538932598.db2.gz WZJOYODHYVEWQZ-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000276504648 538932599 /nfs/dbraw/zinc/93/25/99/538932599.db2.gz WZJOYODHYVEWQZ-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO CC(C)n1cnnc1C[N@H+](C)CCCO ZINC000429297635 192029601 /nfs/dbraw/zinc/02/96/01/192029601.db2.gz ZLPQXQQUCLQDMZ-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC(C)n1cnnc1C[N@@H+](C)CCCO ZINC000429297635 192029603 /nfs/dbraw/zinc/02/96/03/192029603.db2.gz ZLPQXQQUCLQDMZ-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)O ZINC000516783644 259302131 /nfs/dbraw/zinc/30/21/31/259302131.db2.gz DLGLUEYFEXRBQO-QXEWZRGKSA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)O ZINC000516783644 259302133 /nfs/dbraw/zinc/30/21/33/259302133.db2.gz DLGLUEYFEXRBQO-QXEWZRGKSA-N 1 2 239.319 0.864 20 0 BCADLO Cc1cc(Nc2ccn(CC(N)=O)n2)nc(C)[nH+]1 ZINC000275658312 538931512 /nfs/dbraw/zinc/93/15/12/538931512.db2.gz XETMLXOUOFMAJG-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCSC[C@H]2C2CC2)[nH]1 ZINC000650058700 398228843 /nfs/dbraw/zinc/22/88/43/398228843.db2.gz HKGYYBKEHULOQD-QMMMGPOBSA-N 1 2 240.332 0.838 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCSC[C@H]2C2CC2)[nH]1 ZINC000650058700 398228845 /nfs/dbraw/zinc/22/88/45/398228845.db2.gz HKGYYBKEHULOQD-QMMMGPOBSA-N 1 2 240.332 0.838 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864394 398229177 /nfs/dbraw/zinc/22/91/77/398229177.db2.gz SLWRTZBFOIQUBB-BQBZGAKWSA-N 1 2 247.249 0.585 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864394 398229180 /nfs/dbraw/zinc/22/91/80/398229180.db2.gz SLWRTZBFOIQUBB-BQBZGAKWSA-N 1 2 247.249 0.585 20 0 BCADLO CCC(=O)N1CC[N@H+](CC2(C)COC2)C1 ZINC000425508802 398232526 /nfs/dbraw/zinc/23/25/26/398232526.db2.gz IEJFKVDWVHXGFC-UHFFFAOYSA-N 1 2 212.293 0.535 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC2(C)COC2)C1 ZINC000425508802 398232531 /nfs/dbraw/zinc/23/25/31/398232531.db2.gz IEJFKVDWVHXGFC-UHFFFAOYSA-N 1 2 212.293 0.535 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CC1 ZINC000048463743 343988772 /nfs/dbraw/zinc/98/87/72/343988772.db2.gz UDSVJNSSADHWEX-JTQLQIEISA-N 1 2 241.335 0.416 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421365472 192333560 /nfs/dbraw/zinc/33/35/60/192333560.db2.gz UQKXHCYFSJGEBG-LLVKDONJSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421365472 192333563 /nfs/dbraw/zinc/33/35/63/192333563.db2.gz UQKXHCYFSJGEBG-LLVKDONJSA-N 1 2 239.319 0.690 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)no1 ZINC000290013355 178233336 /nfs/dbraw/zinc/23/33/36/178233336.db2.gz ZPAFPJHOKFPQJF-BDAKNGLRSA-N 1 2 223.276 0.864 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000280019109 538936323 /nfs/dbraw/zinc/93/63/23/538936323.db2.gz UBGXAOCJDUVPPA-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000280019109 538936325 /nfs/dbraw/zinc/93/63/25/538936325.db2.gz UBGXAOCJDUVPPA-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000280019114 538936513 /nfs/dbraw/zinc/93/65/13/538936513.db2.gz UBGXAOCJDUVPPA-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000280019114 538936514 /nfs/dbraw/zinc/93/65/14/538936514.db2.gz UBGXAOCJDUVPPA-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@H](C)[C@@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000381183481 398233338 /nfs/dbraw/zinc/23/33/38/398233338.db2.gz RPZDNMSUCUAXJX-IONNQARKSA-N 1 2 239.323 0.487 20 0 BCADLO CC[C@H](C)[C@@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000381183481 398233342 /nfs/dbraw/zinc/23/33/42/398233342.db2.gz RPZDNMSUCUAXJX-IONNQARKSA-N 1 2 239.323 0.487 20 0 BCADLO Cc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)nn1C ZINC000282140452 178245753 /nfs/dbraw/zinc/24/57/53/178245753.db2.gz KNSZQZMIHNGHPS-JTQLQIEISA-N 1 2 238.335 0.904 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C[C@H]2CCCO2)c1 ZINC000650088978 398233955 /nfs/dbraw/zinc/23/39/55/398233955.db2.gz CSPRQJPKYNWYDN-LLVKDONJSA-N 1 2 237.303 0.648 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC1(C)COC1 ZINC000624528907 343992130 /nfs/dbraw/zinc/99/21/30/343992130.db2.gz UZKGUTXAZAWISN-UHFFFAOYSA-N 1 2 238.291 0.540 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC1(C)COC1 ZINC000624528907 343992132 /nfs/dbraw/zinc/99/21/32/343992132.db2.gz UZKGUTXAZAWISN-UHFFFAOYSA-N 1 2 238.291 0.540 20 0 BCADLO CSCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000150975299 323004459 /nfs/dbraw/zinc/00/44/59/323004459.db2.gz CASYSKHPVZGTTP-UHFFFAOYSA-N 1 2 242.348 0.888 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517239354 259310193 /nfs/dbraw/zinc/31/01/93/259310193.db2.gz SDAUVQCWRKBNIE-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CCCNS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000580902837 398250948 /nfs/dbraw/zinc/25/09/48/398250948.db2.gz NETIDDLSMOATJY-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO CCCNS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000580902837 398250951 /nfs/dbraw/zinc/25/09/51/398250951.db2.gz NETIDDLSMOATJY-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)c1nn[nH]n1 ZINC000576680850 365655078 /nfs/dbraw/zinc/65/50/78/365655078.db2.gz DMGVQXKWWFPPLH-QMMMGPOBSA-N 1 2 249.278 0.054 20 0 BCADLO C[N@H+](CCC(N)=O)CC(=O)c1ccccc1F ZINC000382090551 398256083 /nfs/dbraw/zinc/25/60/83/398256083.db2.gz YUAXPFQYTPMGOL-UHFFFAOYSA-N 1 2 238.262 0.816 20 0 BCADLO C[N@@H+](CCC(N)=O)CC(=O)c1ccccc1F ZINC000382090551 398256084 /nfs/dbraw/zinc/25/60/84/398256084.db2.gz YUAXPFQYTPMGOL-UHFFFAOYSA-N 1 2 238.262 0.816 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)no1 ZINC000291180851 538947581 /nfs/dbraw/zinc/94/75/81/538947581.db2.gz BYZPOABPWPWETH-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COc1cccnc1 ZINC000291306407 538947583 /nfs/dbraw/zinc/94/75/83/538947583.db2.gz SSHARQRUDMKZLN-UHFFFAOYSA-N 1 2 246.270 0.510 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291402178 538947610 /nfs/dbraw/zinc/94/76/10/538947610.db2.gz ITAHOQWKGNLKPS-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2c[nH+]cn2C)n1 ZINC000291396786 538947641 /nfs/dbraw/zinc/94/76/41/538947641.db2.gz IHDRKCUHRFGYHQ-UHFFFAOYSA-N 1 2 247.302 0.550 20 0 BCADLO C[C@H]1C[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290648298 538946946 /nfs/dbraw/zinc/94/69/46/538946946.db2.gz INGSYXAZCSXNBS-DTWKUNHWSA-N 1 2 222.292 0.875 20 0 BCADLO CCOCCNC(=O)NCc1c[nH+]cn1C ZINC000290576664 538947004 /nfs/dbraw/zinc/94/70/04/538947004.db2.gz BPRVNWKVHOJYBH-UHFFFAOYSA-N 1 2 226.280 0.256 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)CCCOC1 ZINC000291313888 538947401 /nfs/dbraw/zinc/94/74/01/538947401.db2.gz UBWODBFYVCUUTG-GFCCVEGCSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)CCCO1 ZINC000291159878 538947527 /nfs/dbraw/zinc/94/75/27/538947527.db2.gz HTCAVUSBXSMUAR-LLVKDONJSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC1CCOCC1 ZINC000291487313 538947998 /nfs/dbraw/zinc/94/79/98/538947998.db2.gz QVHBWSLBXWOUQG-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CCc1cc(N2CC(=O)N[C@H](C)C2)nc(C)[nH+]1 ZINC000649459017 398262072 /nfs/dbraw/zinc/26/20/72/398262072.db2.gz BJXYXVSKOBJCOR-MRVPVSSYSA-N 1 2 234.303 0.672 20 0 BCADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1c[nH]cn1 ZINC000576764663 365680791 /nfs/dbraw/zinc/68/07/91/365680791.db2.gz AIYXDEXPHGJTRQ-LLVKDONJSA-N 1 2 220.276 0.264 20 0 BCADLO O=C1NCC[C@]12CCC[N@H+]2Cc1c[nH]cn1 ZINC000576764663 365680797 /nfs/dbraw/zinc/68/07/97/365680797.db2.gz AIYXDEXPHGJTRQ-LLVKDONJSA-N 1 2 220.276 0.264 20 0 BCADLO CCC[C@@H](C[N@H+](C)CC(=O)OC)OC ZINC000602443801 349544855 /nfs/dbraw/zinc/54/48/55/349544855.db2.gz WAFMFPJCZKDCLK-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO CCC[C@@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602443801 349544859 /nfs/dbraw/zinc/54/48/59/349544859.db2.gz WAFMFPJCZKDCLK-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000006278916 178393082 /nfs/dbraw/zinc/39/30/82/178393082.db2.gz NFQGTBHOHSEBJP-UHFFFAOYSA-N 1 2 208.261 0.976 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)OC ZINC000171632469 346831739 /nfs/dbraw/zinc/83/17/39/346831739.db2.gz ANJFAFFQVMTMPZ-RKDXNWHRSA-N 1 2 238.291 0.134 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468948 398268170 /nfs/dbraw/zinc/26/81/70/398268170.db2.gz PJDRROVRUFVCHR-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468948 398268171 /nfs/dbraw/zinc/26/81/71/398268171.db2.gz PJDRROVRUFVCHR-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO Nc1nc(N)c(CN[C@@H]2CCCC2(F)F)c[nH+]1 ZINC000639183784 398271090 /nfs/dbraw/zinc/27/10/90/398271090.db2.gz VPPAJCUCRYTPKC-SSDOTTSWSA-N 1 2 243.261 0.579 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000179989364 538956927 /nfs/dbraw/zinc/95/69/27/538956927.db2.gz ZOMMIRMFTOHAQH-MRVPVSSYSA-N 1 2 236.319 0.895 20 0 BCADLO CN(C)c1noc(C[NH2+]CC2=CCCOC2)n1 ZINC000191897905 361835311 /nfs/dbraw/zinc/83/53/11/361835311.db2.gz NRFZYICAYQILGS-UHFFFAOYSA-N 1 2 238.291 0.572 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)CCF ZINC000649478237 398274438 /nfs/dbraw/zinc/27/44/38/398274438.db2.gz ZEWWKCGGMCGASJ-ZETCQYMHSA-N 1 2 239.254 0.496 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000335065411 398276442 /nfs/dbraw/zinc/27/64/42/398276442.db2.gz QVFBOIZXUYFFDL-SNVBAGLBSA-N 1 2 213.256 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cncnc1 ZINC000180836671 538959015 /nfs/dbraw/zinc/95/90/15/538959015.db2.gz PXCMLZFJOSVLEY-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cncnc1 ZINC000180836671 538959017 /nfs/dbraw/zinc/95/90/17/538959017.db2.gz PXCMLZFJOSVLEY-UHFFFAOYSA-N 1 2 236.319 0.681 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000335065411 398276445 /nfs/dbraw/zinc/27/64/45/398276445.db2.gz QVFBOIZXUYFFDL-SNVBAGLBSA-N 1 2 213.256 0.624 20 0 BCADLO Cc1c[nH]c(CN(C)[C@H](C)C[S@@](C)=O)[nH+]1 ZINC000600146465 342690102 /nfs/dbraw/zinc/69/01/02/342690102.db2.gz WTLBXSNCIDRXEY-RFAUZJTJSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]c(CN2CC[S@](=O)C[C@@H](C)C2)[nH+]1 ZINC000600151619 342691689 /nfs/dbraw/zinc/69/16/89/342691689.db2.gz PKDDZMPBCWJSGA-FVMDXXJSSA-N 1 2 241.360 0.919 20 0 BCADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)n1cccn1 ZINC000044667078 342692052 /nfs/dbraw/zinc/69/20/52/342692052.db2.gz SUDJSSHQQVOHHH-LLVKDONJSA-N 1 2 247.302 0.847 20 0 BCADLO Cc1nc(N2CC(CO)C2)c(C)c(C)[nH+]1 ZINC000182583689 538963912 /nfs/dbraw/zinc/96/39/12/538963912.db2.gz MWTSENRFFYBSPE-UHFFFAOYSA-N 1 2 207.277 0.830 20 0 BCADLO O=C(c1cccc2n[nH]cc21)N1CC[NH2+]CC1 ZINC000082652851 398277048 /nfs/dbraw/zinc/27/70/48/398277048.db2.gz IFKXJUDHADGQBN-UHFFFAOYSA-N 1 2 230.271 0.608 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCC(C)=O ZINC000385251987 342711191 /nfs/dbraw/zinc/71/11/91/342711191.db2.gz WHUNPOHYNKZRSM-UHFFFAOYSA-N 1 2 223.276 0.888 20 0 BCADLO CCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335124828 398279892 /nfs/dbraw/zinc/27/98/92/398279892.db2.gz SYSMIQFLZAETLP-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335124829 398279963 /nfs/dbraw/zinc/27/99/63/398279963.db2.gz SYSMIQFLZAETLP-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000162239220 349616385 /nfs/dbraw/zinc/61/63/85/349616385.db2.gz RSMMSJWFFSRYGW-IUCAKERBSA-N 1 2 223.276 0.793 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000035738052 342757670 /nfs/dbraw/zinc/75/76/70/342757670.db2.gz JWLUDZMEQJOAMY-ZETCQYMHSA-N 1 2 212.278 0.021 20 0 BCADLO O=C1[C@H]([NH2+]Cc2ccon2)CCN1C1CCC1 ZINC000634575572 342779331 /nfs/dbraw/zinc/77/93/31/342779331.db2.gz SZFNWELGEWCUGC-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccncc1 ZINC000607753509 342788820 /nfs/dbraw/zinc/78/88/20/342788820.db2.gz BMPOIWLRAZGFTM-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccncc1 ZINC000607753509 342788821 /nfs/dbraw/zinc/78/88/21/342788821.db2.gz BMPOIWLRAZGFTM-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO O=C1C[N@H+](CCCOc2ccccc2)CCN1 ZINC000007918225 342794874 /nfs/dbraw/zinc/79/48/74/342794874.db2.gz BRHDNAPNSITABD-UHFFFAOYSA-N 1 2 234.299 0.887 20 0 BCADLO O=C1C[N@@H+](CCCOc2ccccc2)CCN1 ZINC000007918225 342794876 /nfs/dbraw/zinc/79/48/76/342794876.db2.gz BRHDNAPNSITABD-UHFFFAOYSA-N 1 2 234.299 0.887 20 0 BCADLO CCOC1C[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000630049763 361912147 /nfs/dbraw/zinc/91/21/47/361912147.db2.gz XLNUTAIZRXSTJW-SNVBAGLBSA-N 1 2 229.320 0.373 20 0 BCADLO C[C@](O)(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000630034112 361908882 /nfs/dbraw/zinc/90/88/82/361908882.db2.gz ONXFGXZJUZCSCU-RYUDHWBXSA-N 1 2 229.320 0.231 20 0 BCADLO C[C@](O)(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000630034110 361909119 /nfs/dbraw/zinc/90/91/19/361909119.db2.gz ONXFGXZJUZCSCU-NEPJUHHUSA-N 1 2 229.320 0.231 20 0 BCADLO C[C@@](O)(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000630034113 361909440 /nfs/dbraw/zinc/90/94/40/361909440.db2.gz ONXFGXZJUZCSCU-VXGBXAGGSA-N 1 2 229.320 0.231 20 0 BCADLO CC1(C)C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000336553880 342809696 /nfs/dbraw/zinc/80/96/96/342809696.db2.gz VUCZFGHHFMXAKV-NSHDSACASA-N 1 2 238.331 0.861 20 0 BCADLO CC1(C)C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000336553880 342809697 /nfs/dbraw/zinc/80/96/97/342809697.db2.gz VUCZFGHHFMXAKV-NSHDSACASA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2cccnc2)CCO1 ZINC000624655528 342809864 /nfs/dbraw/zinc/80/98/64/342809864.db2.gz HECHDYJPWDFSHM-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccnc2)CCO1 ZINC000624655528 342809866 /nfs/dbraw/zinc/80/98/66/342809866.db2.gz HECHDYJPWDFSHM-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO Cc1cc(N(C)C[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000624678074 342818102 /nfs/dbraw/zinc/81/81/02/342818102.db2.gz AFBCTCMDUKSTEY-AOOOYVTPSA-N 1 2 207.277 0.992 20 0 BCADLO c1csc(C[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000348776831 136238832 /nfs/dbraw/zinc/23/88/32/136238832.db2.gz SHHMZCPXSABKLM-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO c1csc(C[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000348776831 136238833 /nfs/dbraw/zinc/23/88/33/136238833.db2.gz SHHMZCPXSABKLM-SNVBAGLBSA-N 1 2 239.344 0.660 20 0 BCADLO c1ncn([C@@H]2CCC[N@@H+](Cc3ncccn3)C2)n1 ZINC000192009774 538994152 /nfs/dbraw/zinc/99/41/52/538994152.db2.gz LQRKBRLASGGLND-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO c1ncn([C@@H]2CCC[N@H+](Cc3ncccn3)C2)n1 ZINC000192009774 538994153 /nfs/dbraw/zinc/99/41/53/538994153.db2.gz LQRKBRLASGGLND-LLVKDONJSA-N 1 2 244.302 0.905 20 0 BCADLO Cc1cnc(C[NH2+]CC(C)(C)S(C)(=O)=O)o1 ZINC000381612874 539004710 /nfs/dbraw/zinc/00/47/10/539004710.db2.gz TUCYASITVRYQKA-UHFFFAOYSA-N 1 2 246.332 0.896 20 0 BCADLO CN(c1nc[nH+]c(N)c1Cl)[C@H]1CCNC1=O ZINC000381677806 539005978 /nfs/dbraw/zinc/00/59/78/539005978.db2.gz XOCRXJWFVKMSPT-YFKPBYRVSA-N 1 2 241.682 0.037 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000382395782 539009081 /nfs/dbraw/zinc/00/90/81/539009081.db2.gz ZQZQVGOSQKYWHC-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO CCc1cc(NCc2cn(C)nn2)nc[nH+]1 ZINC000390653455 539027109 /nfs/dbraw/zinc/02/71/09/539027109.db2.gz PYCFHDPUOSLHAD-UHFFFAOYSA-N 1 2 218.264 0.202 20 0 BCADLO NC(=O)C1([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000390749145 539027229 /nfs/dbraw/zinc/02/72/29/539027229.db2.gz BLSFEVKZNHUDEM-UHFFFAOYSA-N 1 2 237.328 0.739 20 0 BCADLO CC(C)(CO)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754452 361992457 /nfs/dbraw/zinc/99/24/57/361992457.db2.gz JAEBIRCMEBARRL-UHFFFAOYSA-N 1 2 235.291 0.611 20 0 BCADLO Cc1[nH+]c2n(c1C)CCN(C[C@@H]1CCC(=O)N1)C2 ZINC000649503931 398301142 /nfs/dbraw/zinc/30/11/42/398301142.db2.gz CQJSUINRWKFKRJ-NSHDSACASA-N 1 2 248.330 0.594 20 0 BCADLO Cc1cc(NC(=O)N[C@H](C)CC(N)=O)cc[nH+]1 ZINC000348857643 136242484 /nfs/dbraw/zinc/24/24/84/136242484.db2.gz CMZJJWNHDIUBGC-MRVPVSSYSA-N 1 2 236.275 0.197 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](CO)O1 ZINC000191767847 398304535 /nfs/dbraw/zinc/30/45/35/398304535.db2.gz PGGLEWPUUXXOND-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cn[nH]c1C ZINC000091987468 398304646 /nfs/dbraw/zinc/30/46/46/398304646.db2.gz QTCLXCHPSVPJHN-QMMMGPOBSA-N 1 2 225.292 0.959 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cn[nH]c1C ZINC000091987468 398304648 /nfs/dbraw/zinc/30/46/48/398304648.db2.gz QTCLXCHPSVPJHN-QMMMGPOBSA-N 1 2 225.292 0.959 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCC[C@H]1O ZINC000351251414 136244289 /nfs/dbraw/zinc/24/42/89/136244289.db2.gz LMPTYJVZPWJDHT-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCC[C@H]1O ZINC000351251414 136244290 /nfs/dbraw/zinc/24/42/90/136244290.db2.gz LMPTYJVZPWJDHT-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000351251411 136244417 /nfs/dbraw/zinc/24/44/17/136244417.db2.gz LMPTYJVZPWJDHT-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCCC[C@@H]1O ZINC000351251411 136244418 /nfs/dbraw/zinc/24/44/18/136244418.db2.gz LMPTYJVZPWJDHT-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000336342992 398317907 /nfs/dbraw/zinc/31/79/07/398317907.db2.gz VVNUHJWYOSNAJK-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000336342992 398317910 /nfs/dbraw/zinc/31/79/10/398317910.db2.gz VVNUHJWYOSNAJK-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000351381418 136245621 /nfs/dbraw/zinc/24/56/21/136245621.db2.gz FNLQTDABGZWVAF-IONNQARKSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](O)C2)no1 ZINC000351381418 136245622 /nfs/dbraw/zinc/24/56/22/136245622.db2.gz FNLQTDABGZWVAF-IONNQARKSA-N 1 2 211.265 0.896 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCC1 ZINC000336482236 398320155 /nfs/dbraw/zinc/32/01/55/398320155.db2.gz DDYJRJXAPHXLSZ-PHIMTYICSA-N 1 2 224.304 0.472 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCCC1 ZINC000336482236 398320157 /nfs/dbraw/zinc/32/01/57/398320157.db2.gz DDYJRJXAPHXLSZ-PHIMTYICSA-N 1 2 224.304 0.472 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)NC2CC2)cs1 ZINC000035142732 342883980 /nfs/dbraw/zinc/88/39/80/342883980.db2.gz QPCRJBUOKKTDSR-UHFFFAOYSA-N 1 2 225.317 0.820 20 0 BCADLO C[C@H](N(C)C(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000394845155 342887858 /nfs/dbraw/zinc/88/78/58/342887858.db2.gz HZHAPYHWRQSZNG-JTQLQIEISA-N 1 2 239.319 0.891 20 0 BCADLO CC[C@H]([NH2+]CCc1nnc(C)s1)C(=O)OC ZINC000290525878 398314123 /nfs/dbraw/zinc/31/41/23/398314123.db2.gz GWGUJWDNHMKWSK-QMMMGPOBSA-N 1 2 243.332 0.930 20 0 BCADLO COC[C@@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142640 342891642 /nfs/dbraw/zinc/89/16/42/342891642.db2.gz GNNGPSCJKRLKMC-MRVPVSSYSA-N 1 2 247.320 0.112 20 0 BCADLO COCC1(S(=O)(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000632143096 342892594 /nfs/dbraw/zinc/89/25/94/342892594.db2.gz NSEVYRXZTIBHCK-UHFFFAOYSA-N 1 2 245.304 0.008 20 0 BCADLO C[C@H]([NH2+]Cc1ncnn1C)C(=O)NC(C)(C)C ZINC000134804153 342892718 /nfs/dbraw/zinc/89/27/18/342892718.db2.gz ATZDUZKCEVEDPT-QMMMGPOBSA-N 1 2 239.323 0.208 20 0 BCADLO Oc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000625204452 342910468 /nfs/dbraw/zinc/91/04/68/342910468.db2.gz KEYKWUJOQYQJAL-PHIMTYICSA-N 1 2 243.690 0.583 20 0 BCADLO Oc1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000625204452 342910470 /nfs/dbraw/zinc/91/04/70/342910470.db2.gz KEYKWUJOQYQJAL-PHIMTYICSA-N 1 2 243.690 0.583 20 0 BCADLO COCC1(NC(=O)Cc2c[nH+]cn2C)CCC1 ZINC000584010100 342900847 /nfs/dbraw/zinc/90/08/47/342900847.db2.gz DSWRBPLURGSISE-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC(=O)N(C)C ZINC000351602494 136247508 /nfs/dbraw/zinc/24/75/08/136247508.db2.gz IJHYRJAMURRWCZ-VHSXEESVSA-N 1 2 242.319 0.348 20 0 BCADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC(=O)N(C)C ZINC000351602494 136247509 /nfs/dbraw/zinc/24/75/09/136247509.db2.gz IJHYRJAMURRWCZ-VHSXEESVSA-N 1 2 242.319 0.348 20 0 BCADLO CSCCNC(=O)Cc1c[nH+]cn1C ZINC000588339375 342920850 /nfs/dbraw/zinc/92/08/50/342920850.db2.gz FEABOXRNJUNTPS-UHFFFAOYSA-N 1 2 213.306 0.442 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnnn1C ZINC000505610014 529416455 /nfs/dbraw/zinc/41/64/55/529416455.db2.gz JUPXSWKXRSZDQH-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnnn1C ZINC000505610014 529416456 /nfs/dbraw/zinc/41/64/56/529416456.db2.gz JUPXSWKXRSZDQH-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492820269 529434310 /nfs/dbraw/zinc/43/43/10/529434310.db2.gz AVZQZDIMLREVSI-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO CC(C)NC(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000351610382 136248394 /nfs/dbraw/zinc/24/83/94/136248394.db2.gz VQXYAZVXWHLQSH-UHFFFAOYSA-N 1 2 237.307 0.078 20 0 BCADLO CC(C)NC(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000351610382 136248395 /nfs/dbraw/zinc/24/83/95/136248395.db2.gz VQXYAZVXWHLQSH-UHFFFAOYSA-N 1 2 237.307 0.078 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000602633305 349649669 /nfs/dbraw/zinc/64/96/69/349649669.db2.gz GZECPEOPHGJYKB-AEJSXWLSSA-N 1 2 231.292 0.189 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000602633325 349649791 /nfs/dbraw/zinc/64/97/91/349649791.db2.gz HERCKPLIUINHJF-GXSJLCMTSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000602636687 349651383 /nfs/dbraw/zinc/65/13/83/349651383.db2.gz YPXRJHUDHHRUAJ-IDKOKCKLSA-N 1 2 223.276 0.738 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000602643640 349655908 /nfs/dbraw/zinc/65/59/08/349655908.db2.gz GZECPEOPHGJYKB-BBBLOLIVSA-N 1 2 231.292 0.189 20 0 BCADLO Cc1nc(NC[C@H]2CCCCO2)nc(N)[nH+]1 ZINC000304471237 398336758 /nfs/dbraw/zinc/33/67/58/398336758.db2.gz NJYRDRHJNNYMLB-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCCO2)[nH+]1 ZINC000304471237 398336759 /nfs/dbraw/zinc/33/67/59/398336759.db2.gz NJYRDRHJNNYMLB-MRVPVSSYSA-N 1 2 223.280 0.743 20 0 BCADLO Cn1ccnc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000120158378 398336962 /nfs/dbraw/zinc/33/69/62/398336962.db2.gz JWDWUTGRYGDPDA-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000120158378 398336963 /nfs/dbraw/zinc/33/69/63/398336963.db2.gz JWDWUTGRYGDPDA-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO CN(Cc1[nH+]ccn1C)C1(C(N)=O)CCCC1 ZINC000120158378 398336964 /nfs/dbraw/zinc/33/69/64/398336964.db2.gz JWDWUTGRYGDPDA-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)o1 ZINC000123425996 398338108 /nfs/dbraw/zinc/33/81/08/398338108.db2.gz YMUPSBZSDJGDBF-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)o1 ZINC000123425996 398338109 /nfs/dbraw/zinc/33/81/09/398338109.db2.gz YMUPSBZSDJGDBF-VIFPVBQESA-N 1 2 208.261 0.908 20 0 BCADLO COC[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(=O)OC ZINC000308592526 346886293 /nfs/dbraw/zinc/88/62/93/346886293.db2.gz KXJIXBNRZAMRRN-YIZRAAEISA-N 1 2 201.266 0.420 20 0 BCADLO CC[C@@H](CCO)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493222536 529463665 /nfs/dbraw/zinc/46/36/65/529463665.db2.gz BLSIPZGLVZEPHE-XOULXFPDSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC(=O)N(CC)CC ZINC000562477142 323021410 /nfs/dbraw/zinc/02/14/10/323021410.db2.gz FXARGTJCDHTTRZ-LBPRGKRZSA-N 1 2 241.379 0.881 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC(=O)N(CC)CC ZINC000562477142 323021411 /nfs/dbraw/zinc/02/14/11/323021411.db2.gz FXARGTJCDHTTRZ-LBPRGKRZSA-N 1 2 241.379 0.881 20 0 BCADLO CC(=O)N1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000157323718 398340028 /nfs/dbraw/zinc/34/00/28/398340028.db2.gz IFEIIAKQQCYOQG-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO Cc1nnc(C(=O)NCc2[nH+]ccn2C)s1 ZINC000351747702 136250745 /nfs/dbraw/zinc/25/07/45/136250745.db2.gz CWGNLXIRPYKSOI-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCOC2(CCCC2)C1 ZINC000158030408 398340715 /nfs/dbraw/zinc/34/07/15/398340715.db2.gz SCPJSFICXMDEQP-JTQLQIEISA-N 1 2 225.288 0.947 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCOC2(CCCC2)C1 ZINC000158030408 398340716 /nfs/dbraw/zinc/34/07/16/398340716.db2.gz SCPJSFICXMDEQP-JTQLQIEISA-N 1 2 225.288 0.947 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000132725461 398341229 /nfs/dbraw/zinc/34/12/29/398341229.db2.gz AEGFZUOHORLBRR-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO CC[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493228679 529474825 /nfs/dbraw/zinc/47/48/25/529474825.db2.gz SOPLUXZJOCRGHB-MOVJSRMASA-N 1 2 223.276 0.964 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)CC2(C)C)[nH]1 ZINC000270873723 398343517 /nfs/dbraw/zinc/34/35/17/398343517.db2.gz ADEFCTHYWITJHS-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)CC2(C)C)[nH]1 ZINC000270873723 398343518 /nfs/dbraw/zinc/34/35/18/398343518.db2.gz ADEFCTHYWITJHS-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000602681202 349673363 /nfs/dbraw/zinc/67/33/63/349673363.db2.gz MQXKKDPEFWHOEC-ZJUUUORDSA-N 1 2 240.307 0.596 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000051886807 398345244 /nfs/dbraw/zinc/34/52/44/398345244.db2.gz UHDZMDMDAFPSOV-MRVPVSSYSA-N 1 2 229.711 0.888 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000051886807 398345245 /nfs/dbraw/zinc/34/52/45/398345245.db2.gz UHDZMDMDAFPSOV-MRVPVSSYSA-N 1 2 229.711 0.888 20 0 BCADLO CC[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858236 529500237 /nfs/dbraw/zinc/50/02/37/529500237.db2.gz FMOZXRLWRNGPJG-WYGGZMRJSA-N 1 2 223.276 0.700 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCc1ccccn1 ZINC000162397785 349690071 /nfs/dbraw/zinc/69/00/71/349690071.db2.gz OSJMJDQFMHSXHM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCc1ccccn1 ZINC000162397785 349690076 /nfs/dbraw/zinc/69/00/76/349690076.db2.gz OSJMJDQFMHSXHM-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO CC[C@@H](COC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493331770 529516105 /nfs/dbraw/zinc/51/61/05/529516105.db2.gz ZXOKZSYEGWZDPB-MOVJSRMASA-N 1 2 223.276 0.964 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOCC1 ZINC000492928322 529551348 /nfs/dbraw/zinc/55/13/48/529551348.db2.gz RGNQJXJAFFIWGB-ONEGZZNKSA-N 1 2 235.287 0.775 20 0 BCADLO COC(=O)CC1CC[NH+](CC(=O)OC)CC1 ZINC000020220496 342977788 /nfs/dbraw/zinc/97/77/88/342977788.db2.gz CSUZYSBHXWYAIU-UHFFFAOYSA-N 1 2 229.276 0.435 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnnn2C)CC[C@H]1C ZINC000342728592 536735174 /nfs/dbraw/zinc/73/51/74/536735174.db2.gz WZHUEHZFSXGWCD-RKDXNWHRSA-N 1 2 225.296 0.067 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnnn2C)CC[C@H]1C ZINC000342728592 536735179 /nfs/dbraw/zinc/73/51/79/536735179.db2.gz WZHUEHZFSXGWCD-RKDXNWHRSA-N 1 2 225.296 0.067 20 0 BCADLO CCO[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000335900182 136258899 /nfs/dbraw/zinc/25/88/99/136258899.db2.gz JTMPTEUMDFAEEP-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO COC(=O)c1coc(C[NH2+]C2(C)COC2)c1 ZINC000602738642 349708825 /nfs/dbraw/zinc/70/88/25/349708825.db2.gz HDBDWLOLJBSOGU-UHFFFAOYSA-N 1 2 225.244 0.945 20 0 BCADLO CCN(C#N)CC[N@H+](C)C(C)(C)C(=O)OC ZINC000602793521 349735941 /nfs/dbraw/zinc/73/59/41/349735941.db2.gz XVCDMQUNIPYTNZ-UHFFFAOYSA-N 1 2 227.308 0.673 20 0 BCADLO CCN(C#N)CC[N@@H+](C)C(C)(C)C(=O)OC ZINC000602793521 349735944 /nfs/dbraw/zinc/73/59/44/349735944.db2.gz XVCDMQUNIPYTNZ-UHFFFAOYSA-N 1 2 227.308 0.673 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(C)=O ZINC000602803820 349742760 /nfs/dbraw/zinc/74/27/60/349742760.db2.gz AUQJBVWRTXLFEQ-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(C)=O ZINC000602803820 349742762 /nfs/dbraw/zinc/74/27/62/349742762.db2.gz AUQJBVWRTXLFEQ-JTQLQIEISA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)C[N@H+](CCc1cnccn1)C1CC1 ZINC000602777521 349743547 /nfs/dbraw/zinc/74/35/47/349743547.db2.gz FKCLSZFGQQDDIZ-UHFFFAOYSA-N 1 2 235.287 0.657 20 0 BCADLO COC(=O)C[N@@H+](CCc1cnccn1)C1CC1 ZINC000602777521 349743548 /nfs/dbraw/zinc/74/35/48/349743548.db2.gz FKCLSZFGQQDDIZ-UHFFFAOYSA-N 1 2 235.287 0.657 20 0 BCADLO COC(=O)Cn1cc(C[NH+]2CC(C)(C)C2)nn1 ZINC000602750675 349730544 /nfs/dbraw/zinc/73/05/44/349730544.db2.gz ACIFIJJGLVXVTI-UHFFFAOYSA-N 1 2 238.291 0.293 20 0 BCADLO COC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000518179944 259338389 /nfs/dbraw/zinc/33/83/89/259338389.db2.gz OCCTVBLKQLPSQX-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000518179944 259338390 /nfs/dbraw/zinc/33/83/90/259338390.db2.gz OCCTVBLKQLPSQX-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+](C)CCO)n1 ZINC000602762646 349733044 /nfs/dbraw/zinc/73/30/44/349733044.db2.gz OZYGEBPMLLDFOE-ZETCQYMHSA-N 1 2 228.248 0.446 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+](C)CCO)n1 ZINC000602762646 349733047 /nfs/dbraw/zinc/73/30/47/349733047.db2.gz OZYGEBPMLLDFOE-ZETCQYMHSA-N 1 2 228.248 0.446 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+](C)CCCO)n1 ZINC000602823763 349763539 /nfs/dbraw/zinc/76/35/39/349763539.db2.gz DEQZMPZDGUINMH-QMMMGPOBSA-N 1 2 242.275 0.836 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+](C)CCCO)n1 ZINC000602823763 349763542 /nfs/dbraw/zinc/76/35/42/349763542.db2.gz DEQZMPZDGUINMH-QMMMGPOBSA-N 1 2 242.275 0.836 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1cnccn1 ZINC000309815626 343018834 /nfs/dbraw/zinc/01/88/34/343018834.db2.gz VFQKRRDESMGXRA-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1cnccn1 ZINC000309815626 343018836 /nfs/dbraw/zinc/01/88/36/343018836.db2.gz VFQKRRDESMGXRA-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000602783702 349748774 /nfs/dbraw/zinc/74/87/74/349748774.db2.gz FKURIUHICQAPNK-MNOVXSKESA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000602783702 349748777 /nfs/dbraw/zinc/74/87/77/349748777.db2.gz FKURIUHICQAPNK-MNOVXSKESA-N 1 2 211.309 0.899 20 0 BCADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(C)=O ZINC000602789230 349752837 /nfs/dbraw/zinc/75/28/37/349752837.db2.gz VPZISRGNEAWOKE-SECBINFHSA-N 1 2 231.317 0.556 20 0 BCADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(C)=O ZINC000602789230 349752842 /nfs/dbraw/zinc/75/28/42/349752842.db2.gz VPZISRGNEAWOKE-SECBINFHSA-N 1 2 231.317 0.556 20 0 BCADLO O=S(=O)(C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246986344 343011648 /nfs/dbraw/zinc/01/16/48/343011648.db2.gz MYDSTFRSQTZHBJ-SNVBAGLBSA-N 1 2 244.360 0.649 20 0 BCADLO O=S(=O)(C1CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246986344 343011650 /nfs/dbraw/zinc/01/16/50/343011650.db2.gz MYDSTFRSQTZHBJ-SNVBAGLBSA-N 1 2 244.360 0.649 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000048581196 343042801 /nfs/dbraw/zinc/04/28/01/343042801.db2.gz PACIILSMZMLGCR-JTQLQIEISA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CCC[C@H](O)C1 ZINC000048581196 343042803 /nfs/dbraw/zinc/04/28/03/343042803.db2.gz PACIILSMZMLGCR-JTQLQIEISA-N 1 2 239.323 0.430 20 0 BCADLO CCN(C#N)CCN1CCc2[nH+]c[nH]c2C1 ZINC000602832631 349768533 /nfs/dbraw/zinc/76/85/33/349768533.db2.gz LOZGYWBSRLISAO-UHFFFAOYSA-N 1 2 219.292 0.571 20 0 BCADLO CCN(C#N)CC[N@H+](C(C)C)C1COC1 ZINC000602832487 349768616 /nfs/dbraw/zinc/76/86/16/349768616.db2.gz NKMNSNDRSQPDOW-UHFFFAOYSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@@H+](C(C)C)C1COC1 ZINC000602832487 349768618 /nfs/dbraw/zinc/76/86/18/349768618.db2.gz NKMNSNDRSQPDOW-UHFFFAOYSA-N 1 2 211.309 0.899 20 0 BCADLO Cc1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634633964 343046844 /nfs/dbraw/zinc/04/68/44/343046844.db2.gz KQAQTKFMHHASMJ-UHFFFAOYSA-N 1 2 206.249 0.881 20 0 BCADLO COC(=O)c1ccc(C[N@H+](C)CC(C)=O)nc1 ZINC000602857396 349789344 /nfs/dbraw/zinc/78/93/44/349789344.db2.gz VWJHWYCRSHOIIZ-UHFFFAOYSA-N 1 2 236.271 0.889 20 0 BCADLO COC(=O)c1ccc(C[N@@H+](C)CC(C)=O)nc1 ZINC000602857396 349789347 /nfs/dbraw/zinc/78/93/47/349789347.db2.gz VWJHWYCRSHOIIZ-UHFFFAOYSA-N 1 2 236.271 0.889 20 0 BCADLO CCCN(C(=O)[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000582130082 346921601 /nfs/dbraw/zinc/92/16/01/346921601.db2.gz PPZHCIOFUPZBFJ-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CCCN(C(=O)[C@@H]1COCC[N@H+]1C)C(C)C ZINC000582130082 346921604 /nfs/dbraw/zinc/92/16/04/346921604.db2.gz PPZHCIOFUPZBFJ-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO Cn1c[nH+]cc1Cn1cc2c(n1)CCCNC2=O ZINC000634551378 362044102 /nfs/dbraw/zinc/04/41/02/362044102.db2.gz LQSZCWBYFLKQKR-UHFFFAOYSA-N 1 2 245.286 0.341 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@H](CC)C(=O)OC ZINC000168336162 136267948 /nfs/dbraw/zinc/26/79/48/136267948.db2.gz IMUUBIWMPMIUJA-RKDXNWHRSA-N 1 2 203.282 0.953 20 0 BCADLO Cn1ccc(-c2noc(Cc3c[nH+]cn3C)n2)n1 ZINC000634668592 343095495 /nfs/dbraw/zinc/09/54/95/343095495.db2.gz CLHSEQKTSLAVKW-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952585 362097054 /nfs/dbraw/zinc/09/70/54/362097054.db2.gz BREAXYUIKFLFNG-NSHDSACASA-N 1 2 249.318 0.619 20 0 BCADLO c1cn(Cc2cn(C[C@@H]3CCCOC3)nn2)c[nH+]1 ZINC000640960483 362100245 /nfs/dbraw/zinc/10/02/45/362100245.db2.gz UQGYGQPXJMZOEU-NSHDSACASA-N 1 2 247.302 0.950 20 0 BCADLO FCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640938866 362075882 /nfs/dbraw/zinc/07/58/82/362075882.db2.gz VFXLMCBYSFTPHP-UHFFFAOYSA-N 1 2 209.228 0.883 20 0 BCADLO Cc1nc(NCc2ncn(C)n2)cc[nH+]1 ZINC000121030565 343146504 /nfs/dbraw/zinc/14/65/04/343146504.db2.gz YNFHCIMTVKMCHN-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)on1 ZINC000189289136 136270824 /nfs/dbraw/zinc/27/08/24/136270824.db2.gz JEOHYBJGJDYVSE-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)on1 ZINC000189289136 136270825 /nfs/dbraw/zinc/27/08/25/136270825.db2.gz JEOHYBJGJDYVSE-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cn[nH]c2)[N@H+](C)C1 ZINC000408032274 136272962 /nfs/dbraw/zinc/27/29/62/136272962.db2.gz UMEJHTMRHJEQFK-IUCAKERBSA-N 1 2 224.264 0.067 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cn[nH]c2)[N@@H+](C)C1 ZINC000408032274 136272963 /nfs/dbraw/zinc/27/29/63/136272963.db2.gz UMEJHTMRHJEQFK-IUCAKERBSA-N 1 2 224.264 0.067 20 0 BCADLO CCOCc1nc([C@@H](C)[NH2+]C[C@H](C)O)no1 ZINC000580545224 365739892 /nfs/dbraw/zinc/73/98/92/365739892.db2.gz KLPVBKCDORBSMP-JGVFFNPUSA-N 1 2 229.280 0.638 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000129342283 343176658 /nfs/dbraw/zinc/17/66/58/343176658.db2.gz KQRUWYLOUGAPGB-YIZRAAEISA-N 1 2 215.293 0.687 20 0 BCADLO CCOCCN(C)c1nc[nH+]c(N)c1OC ZINC000134925621 343192348 /nfs/dbraw/zinc/19/23/48/343192348.db2.gz ZBVDHKXCEHVOBN-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO CCOCCN(C)c1[nH+]cnc(N)c1OC ZINC000134925621 343192349 /nfs/dbraw/zinc/19/23/49/343192349.db2.gz ZBVDHKXCEHVOBN-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO CC[C@@H](CO)Nc1nc[nH+]c(N)c1OC ZINC000134823875 343195251 /nfs/dbraw/zinc/19/52/51/343195251.db2.gz CKQDFVUKHDPLQV-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]cnc(N)c1OC ZINC000134823875 343195253 /nfs/dbraw/zinc/19/52/53/343195253.db2.gz CKQDFVUKHDPLQV-LURJTMIESA-N 1 2 212.253 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000134807888 343195432 /nfs/dbraw/zinc/19/54/32/343195432.db2.gz KBTJJNCSCXXRSR-OCAPTIKFSA-N 1 2 238.291 0.681 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)O[C@@H](C)C1 ZINC000134807888 343195434 /nfs/dbraw/zinc/19/54/34/343195434.db2.gz KBTJJNCSCXXRSR-OCAPTIKFSA-N 1 2 238.291 0.681 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000625299896 343226522 /nfs/dbraw/zinc/22/65/22/343226522.db2.gz HNNMEDRCQXLOAA-DTORHVGOSA-N 1 2 238.291 0.729 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000625299896 343226523 /nfs/dbraw/zinc/22/65/23/343226523.db2.gz HNNMEDRCQXLOAA-DTORHVGOSA-N 1 2 238.291 0.729 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000625358638 343248779 /nfs/dbraw/zinc/24/87/79/343248779.db2.gz RYANJOMNLBYHIU-VIFPVBQESA-N 1 2 243.332 0.775 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000625358638 343248780 /nfs/dbraw/zinc/24/87/80/343248780.db2.gz RYANJOMNLBYHIU-VIFPVBQESA-N 1 2 243.332 0.775 20 0 BCADLO COCCC[N@H+](CCO)Cc1cnns1 ZINC000625361691 343255429 /nfs/dbraw/zinc/25/54/29/343255429.db2.gz PSTIOQMCVXSCPX-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO COCCC[N@@H+](CCO)Cc1cnns1 ZINC000625361691 343255430 /nfs/dbraw/zinc/25/54/30/343255430.db2.gz PSTIOQMCVXSCPX-UHFFFAOYSA-N 1 2 231.321 0.369 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)CCCO1 ZINC000121412088 343266914 /nfs/dbraw/zinc/26/69/14/343266914.db2.gz CHMDGSLDNJBYBU-GFCCVEGCSA-N 1 2 237.303 0.648 20 0 BCADLO CCn1nccc1-c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035530 362148098 /nfs/dbraw/zinc/14/80/98/362148098.db2.gz NNXXGCNBWBQUCB-UHFFFAOYSA-N 1 2 243.274 0.933 20 0 BCADLO CCOC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000069761156 343291030 /nfs/dbraw/zinc/29/10/30/343291030.db2.gz ATHPTTAHNKSORO-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO CCOC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000069761156 343291033 /nfs/dbraw/zinc/29/10/33/343291033.db2.gz ATHPTTAHNKSORO-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO CC(C)(C)[C@@H](O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036546 362148780 /nfs/dbraw/zinc/14/87/80/362148780.db2.gz QYZLRYCTFKGQMG-NSHDSACASA-N 1 2 249.318 0.999 20 0 BCADLO CCOCc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037932 362149667 /nfs/dbraw/zinc/14/96/67/362149667.db2.gz IQOFAFVAMGCELL-UHFFFAOYSA-N 1 2 221.264 0.596 20 0 BCADLO CCC(=O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037855 362150395 /nfs/dbraw/zinc/15/03/95/362150395.db2.gz GTZZXZIZLVZUOH-UHFFFAOYSA-N 1 2 219.248 0.653 20 0 BCADLO Cn1ccc(-c2cn(Cc3c[nH+]cn3C)nn2)n1 ZINC000641038521 362151863 /nfs/dbraw/zinc/15/18/63/362151863.db2.gz QPMGXUMMWAJYCJ-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(-c2ccnn2C)nn1 ZINC000641038828 362151907 /nfs/dbraw/zinc/15/19/07/362151907.db2.gz TZTKIBVEMQHYMQ-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000069862410 343293398 /nfs/dbraw/zinc/29/33/98/343293398.db2.gz XFZKDLPYZFIETR-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493860662 529702575 /nfs/dbraw/zinc/70/25/75/529702575.db2.gz VOJCNVZIAZKYKN-TYRPZCRBSA-N 1 2 209.249 0.310 20 0 BCADLO Cc1nc(N(C)CC(N)=O)c(C)c(C)[nH+]1 ZINC000348726860 136294806 /nfs/dbraw/zinc/29/48/06/136294806.db2.gz CGKSBDLZFSDSBJ-UHFFFAOYSA-N 1 2 208.265 0.323 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000584061390 343309962 /nfs/dbraw/zinc/30/99/62/343309962.db2.gz KBYSBTKYOWOQAY-SECBINFHSA-N 1 2 223.276 0.447 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC1 ZINC000584061390 343309963 /nfs/dbraw/zinc/30/99/63/343309963.db2.gz KBYSBTKYOWOQAY-SECBINFHSA-N 1 2 223.276 0.447 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C(F)F ZINC000348836660 136301944 /nfs/dbraw/zinc/30/19/44/136301944.db2.gz YPMZURQRNYIPFF-MRVPVSSYSA-N 1 2 245.229 0.559 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccncc1F ZINC000335658927 136307565 /nfs/dbraw/zinc/30/75/65/136307565.db2.gz OJEYFKKRFBDQHX-UHFFFAOYSA-N 1 2 235.222 0.687 20 0 BCADLO C=Cn1cc(C[N@@H+](C)CC(=O)NC)cn1 ZINC000668789068 487535461 /nfs/dbraw/zinc/53/54/61/487535461.db2.gz ZGYRYOBAOKLJMB-UHFFFAOYSA-N 1 2 208.265 0.161 20 0 BCADLO C=Cn1cc(C[N@H+](C)CC(=O)NC)cn1 ZINC000668789068 487535467 /nfs/dbraw/zinc/53/54/67/487535467.db2.gz ZGYRYOBAOKLJMB-UHFFFAOYSA-N 1 2 208.265 0.161 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)NC2(CCC2)C1=O ZINC000349018200 136312937 /nfs/dbraw/zinc/31/29/37/136312937.db2.gz PVOXOCYPYNNFMC-UHFFFAOYSA-N 1 2 234.259 0.395 20 0 BCADLO Cn1nnc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)n1 ZINC000621381502 343397035 /nfs/dbraw/zinc/39/70/35/343397035.db2.gz VLJHPHOZHYXEHN-VIFPVBQESA-N 1 2 239.323 0.193 20 0 BCADLO Cn1nnc(C[N@H+]2CC(C)(C)CC[C@H]2CO)n1 ZINC000621381502 343397036 /nfs/dbraw/zinc/39/70/36/343397036.db2.gz VLJHPHOZHYXEHN-VIFPVBQESA-N 1 2 239.323 0.193 20 0 BCADLO O=C(c1ccco1)N1CC[NH+](CCCO)CC1 ZINC000041280150 343418170 /nfs/dbraw/zinc/41/81/70/343418170.db2.gz CBFSZTGNVDMXDV-UHFFFAOYSA-N 1 2 238.287 0.420 20 0 BCADLO C[C@H](C(=O)N1C[C@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000349347417 136342845 /nfs/dbraw/zinc/34/28/45/136342845.db2.gz LQTVVSWZYYFXQY-IJLUTSLNSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[C@H]1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641083127 362202185 /nfs/dbraw/zinc/20/21/85/362202185.db2.gz UEVNZBCEVMYVNC-YWVKMMECSA-N 1 2 222.292 0.595 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@@H](C)[C@H](O)C2)n1C ZINC000349404098 136344515 /nfs/dbraw/zinc/34/45/15/136344515.db2.gz DOGGHMIRNJMGJT-MWLCHTKSSA-N 1 2 223.320 0.931 20 0 BCADLO O=C(NCC1CC1)N1CCn2cc[nH+]c2C1 ZINC000335722305 136346300 /nfs/dbraw/zinc/34/63/00/136346300.db2.gz YEIBGQNPETXKON-UHFFFAOYSA-N 1 2 220.276 0.818 20 0 BCADLO Cc1[nH]ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000335725759 136346904 /nfs/dbraw/zinc/34/69/04/136346904.db2.gz SUZRMIRJBZVCAF-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO COc1ccc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000041979643 343426082 /nfs/dbraw/zinc/42/60/82/343426082.db2.gz WIBUNLRNRCSNGO-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000335736752 136350655 /nfs/dbraw/zinc/35/06/55/136350655.db2.gz YHDWIGSJGBEHGE-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000335736752 136350656 /nfs/dbraw/zinc/35/06/56/136350656.db2.gz YHDWIGSJGBEHGE-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnc2n[nH]nc2c1 ZINC000349192894 136331158 /nfs/dbraw/zinc/33/11/58/136331158.db2.gz PYXITUWCJAQORH-UHFFFAOYSA-N 1 2 243.230 0.006 20 0 BCADLO COCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083102 136332409 /nfs/dbraw/zinc/33/24/09/136332409.db2.gz CVBBIXMZIZAERK-LBPRGKRZSA-N 1 2 249.314 0.591 20 0 BCADLO C1=CCC(Cn2cc([C@H]3COCC[NH2+]3)nn2)C1 ZINC000641080538 362196316 /nfs/dbraw/zinc/19/63/16/362196316.db2.gz VPDIVKKIMGAYAC-GFCCVEGCSA-N 1 2 234.303 0.905 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1c(Cl)cnn1C ZINC000349314788 136341509 /nfs/dbraw/zinc/34/15/09/136341509.db2.gz JSGJUSHZMJDJAL-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000349314788 136341510 /nfs/dbraw/zinc/34/15/10/136341510.db2.gz JSGJUSHZMJDJAL-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO CC[C@H](Cn1cc(Cn2cc[nH+]c2)nn1)OC ZINC000641082065 362200258 /nfs/dbraw/zinc/20/02/58/362200258.db2.gz UWUIGDXVIKHYBC-LLVKDONJSA-N 1 2 235.291 0.948 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)s1 ZINC000350266944 136357632 /nfs/dbraw/zinc/35/76/32/136357632.db2.gz MYEAGFQUGQXUNS-RKDXNWHRSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@@H]2CO)s1 ZINC000350266944 136357633 /nfs/dbraw/zinc/35/76/33/136357633.db2.gz MYEAGFQUGQXUNS-RKDXNWHRSA-N 1 2 242.344 0.633 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000350480763 136361259 /nfs/dbraw/zinc/36/12/59/136361259.db2.gz PYTUQHQWTRFDBE-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000350480763 136361260 /nfs/dbraw/zinc/36/12/60/136361260.db2.gz PYTUQHQWTRFDBE-LLVKDONJSA-N 1 2 234.303 0.495 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1C ZINC000135019743 343453162 /nfs/dbraw/zinc/45/31/62/343453162.db2.gz UHPZRTDEADSACQ-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCOC[C@@H]1C ZINC000135019743 343453164 /nfs/dbraw/zinc/45/31/64/343453164.db2.gz UHPZRTDEADSACQ-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1cnn(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351117901 136368029 /nfs/dbraw/zinc/36/80/29/136368029.db2.gz RDYFFFSNVUWXEV-SDDRHHMPSA-N 1 2 248.330 0.387 20 0 BCADLO Cc1nc(N2C[C@H](O)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000351501301 136368980 /nfs/dbraw/zinc/36/89/80/136368980.db2.gz HGDROFKWNLMENR-CBAPKCEASA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000351501301 136368981 /nfs/dbraw/zinc/36/89/81/136368981.db2.gz HGDROFKWNLMENR-CBAPKCEASA-N 1 2 237.307 0.063 20 0 BCADLO Cn1nccc1-c1cn(CCn2cc[nH+]c2)nn1 ZINC000641122898 362231318 /nfs/dbraw/zinc/23/13/18/362231318.db2.gz DSGXEMALAIIMFE-UHFFFAOYSA-N 1 2 243.274 0.575 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247983142 136373533 /nfs/dbraw/zinc/37/35/33/136373533.db2.gz IOIWTKLWOJKCJW-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247983142 136373534 /nfs/dbraw/zinc/37/35/34/136373534.db2.gz IOIWTKLWOJKCJW-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CCO ZINC000310450279 343496778 /nfs/dbraw/zinc/49/67/78/343496778.db2.gz XUUXTHMZJUEHFU-LLVKDONJSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H](CO)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000683783347 488221142 /nfs/dbraw/zinc/22/11/42/488221142.db2.gz VJXMQSSXXSUFJC-MRVPVSSYSA-N 1 2 248.277 0.603 20 0 BCADLO CCn1ccnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000622712690 343521552 /nfs/dbraw/zinc/52/15/52/343521552.db2.gz IOGNDPLYSQDWTG-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000622712690 343521553 /nfs/dbraw/zinc/52/15/53/343521553.db2.gz IOGNDPLYSQDWTG-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000577010396 365759757 /nfs/dbraw/zinc/75/97/57/365759757.db2.gz LKDOFPWBNPBKAD-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000577010396 365759764 /nfs/dbraw/zinc/75/97/64/365759764.db2.gz LKDOFPWBNPBKAD-VXNVDRBHSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000577010395 365760094 /nfs/dbraw/zinc/76/00/94/365760094.db2.gz LKDOFPWBNPBKAD-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000577010395 365760100 /nfs/dbraw/zinc/76/01/00/365760100.db2.gz LKDOFPWBNPBKAD-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H](O)CSC)CCO1 ZINC000602896999 349813834 /nfs/dbraw/zinc/81/38/34/349813834.db2.gz IIIZMNLYJQJBJC-DTWKUNHWSA-N 1 2 221.322 0.015 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H](O)CSC)CCO1 ZINC000602896999 349813837 /nfs/dbraw/zinc/81/38/37/349813837.db2.gz IIIZMNLYJQJBJC-DTWKUNHWSA-N 1 2 221.322 0.015 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000622720662 343572286 /nfs/dbraw/zinc/57/22/86/343572286.db2.gz INIATGQFXDIKNW-JGZJWPJOSA-N 1 2 223.276 0.303 20 0 BCADLO O=C1[C@H]([NH2+]Cc2cc[nH]n2)CCN1C1CCC1 ZINC000623841052 343565638 /nfs/dbraw/zinc/56/56/38/343565638.db2.gz MXTAOMXBMUGFSA-LLVKDONJSA-N 1 2 234.303 0.653 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cnns1 ZINC000570191544 323052473 /nfs/dbraw/zinc/05/24/73/323052473.db2.gz NGOHBTSTJROIMV-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cnns1 ZINC000570191544 323052474 /nfs/dbraw/zinc/05/24/74/323052474.db2.gz NGOHBTSTJROIMV-QMMMGPOBSA-N 1 2 240.332 0.704 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC000479171884 529743848 /nfs/dbraw/zinc/74/38/48/529743848.db2.gz XQBRVMBCMUYEOJ-ZETCQYMHSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC000479171884 529743849 /nfs/dbraw/zinc/74/38/49/529743849.db2.gz XQBRVMBCMUYEOJ-ZETCQYMHSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000479171884 529743850 /nfs/dbraw/zinc/74/38/50/529743850.db2.gz XQBRVMBCMUYEOJ-ZETCQYMHSA-N 1 2 223.280 0.400 20 0 BCADLO CCc1nc(NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000479171884 529743851 /nfs/dbraw/zinc/74/38/51/529743851.db2.gz XQBRVMBCMUYEOJ-ZETCQYMHSA-N 1 2 223.280 0.400 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000624238092 343584298 /nfs/dbraw/zinc/58/42/98/343584298.db2.gz KDUNQXJQQZWWHI-MYJAWHEDSA-N 1 2 220.272 0.765 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1O ZINC000049237711 343594751 /nfs/dbraw/zinc/59/47/51/343594751.db2.gz IMRRRVHMLFBOSO-VIFPVBQESA-N 1 2 246.270 0.802 20 0 BCADLO CC(C)[C@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000086123605 343611010 /nfs/dbraw/zinc/61/10/10/343611010.db2.gz YZULTOJMNFZLRG-VIFPVBQESA-N 1 2 217.309 0.935 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1cocn1 ZINC000379995494 365785952 /nfs/dbraw/zinc/78/59/52/365785952.db2.gz IYNBQLRLULRMBK-UHFFFAOYSA-N 1 2 211.265 0.631 20 0 BCADLO COc1cncc(C[NH2+]Cc2cn(C)nn2)c1C ZINC000631111306 343651806 /nfs/dbraw/zinc/65/18/06/343651806.db2.gz OQKKBSZBANKBQY-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000299907757 349829059 /nfs/dbraw/zinc/82/90/59/349829059.db2.gz SIBRGRODVIXIPO-PSASIEDQSA-N 1 2 247.302 0.570 20 0 BCADLO CCc1cnc(C[NH2+][C@H](C)C(=O)NC)s1 ZINC000309033626 346956232 /nfs/dbraw/zinc/95/62/32/346956232.db2.gz GQUBPDBEZXJNOZ-SSDOTTSWSA-N 1 2 227.333 0.930 20 0 BCADLO O=c1cc(CN2CCc3[nH+]c[nH]c3C2)occ1O ZINC000625436622 343733854 /nfs/dbraw/zinc/73/38/54/343733854.db2.gz HTJKXMLMNBZDTC-UHFFFAOYSA-N 1 2 247.254 0.627 20 0 BCADLO CCc1nc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000625437732 343739913 /nfs/dbraw/zinc/73/99/13/343739913.db2.gz IEBSWPFFZUMELS-UHFFFAOYSA-N 1 2 233.275 0.913 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000312990240 343710862 /nfs/dbraw/zinc/71/08/62/343710862.db2.gz CHZMVWBREBGFDV-RKDXNWHRSA-N 1 2 215.293 0.953 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000062066455 343732293 /nfs/dbraw/zinc/73/22/93/343732293.db2.gz UDWHIEOBKDBVEK-UHFFFAOYSA-N 1 2 247.364 0.011 20 0 BCADLO CC[N@H+](Cc1cnns1)[C@@H](C)CO ZINC000625448986 343773279 /nfs/dbraw/zinc/77/32/79/343773279.db2.gz WLEBXBDWBLHJMU-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[N@@H+](Cc1cnns1)[C@@H](C)CO ZINC000625448986 343773282 /nfs/dbraw/zinc/77/32/82/343773282.db2.gz WLEBXBDWBLHJMU-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](O)C(C)C ZINC000584219210 343773452 /nfs/dbraw/zinc/77/34/52/343773452.db2.gz OMFRSFTXQKKQPC-CMPLNLGQSA-N 1 2 239.319 0.795 20 0 BCADLO CCN(CC(=O)OC)Cc1c[nH+]cn1CC ZINC000090235878 343750785 /nfs/dbraw/zinc/75/07/85/343750785.db2.gz CLYFKCKFIYCGIU-UHFFFAOYSA-N 1 2 225.292 0.898 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C12CC(C1)C2 ZINC000625450754 343777873 /nfs/dbraw/zinc/77/78/73/343777873.db2.gz XOJOUYAYTHUGMB-UHFFFAOYSA-N 1 2 205.261 0.869 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603084991 349864447 /nfs/dbraw/zinc/86/44/47/349864447.db2.gz BDBKBDCWSTZQFT-RDDDGLTNSA-N 1 2 238.243 0.028 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603084991 349864450 /nfs/dbraw/zinc/86/44/50/349864450.db2.gz BDBKBDCWSTZQFT-RDDDGLTNSA-N 1 2 238.243 0.028 20 0 BCADLO CC(=O)N1CC([NH2+][C@H](C)c2cc(C)n(C)n2)C1 ZINC000570411459 323059002 /nfs/dbraw/zinc/05/90/02/323059002.db2.gz ORLUCSCODSFLIS-SECBINFHSA-N 1 2 236.319 0.610 20 0 BCADLO CN(CCCCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493377821 529884256 /nfs/dbraw/zinc/88/42/56/529884256.db2.gz BPWDYIORSHKEEH-SNAWJCMRSA-N 1 2 223.276 0.654 20 0 BCADLO Cc1cnc(C[N@@H+]2CCOC[C@@H](O)C2)o1 ZINC000625452121 343828079 /nfs/dbraw/zinc/82/80/79/343828079.db2.gz JYUZAELBDXNNKC-VIFPVBQESA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cnc(C[N@H+]2CCOC[C@@H](O)C2)o1 ZINC000625452121 343828082 /nfs/dbraw/zinc/82/80/82/343828082.db2.gz JYUZAELBDXNNKC-VIFPVBQESA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cnc(C[N@@H+]2CCOC[C@H](O)C2)o1 ZINC000625452110 343828160 /nfs/dbraw/zinc/82/81/60/343828160.db2.gz JYUZAELBDXNNKC-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cnc(C[N@H+]2CCOC[C@H](O)C2)o1 ZINC000625452110 343828162 /nfs/dbraw/zinc/82/81/62/343828162.db2.gz JYUZAELBDXNNKC-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO COC(=O)c1ccc(NCc2c[nH+]cn2C)nn1 ZINC000291176808 349880078 /nfs/dbraw/zinc/88/00/78/349880078.db2.gz RLBGJCZJPHPKOU-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1c[nH]cn1 ZINC000488311747 529898949 /nfs/dbraw/zinc/89/89/49/529898949.db2.gz ILHOHDPHVLLPRR-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cnc[nH]1 ZINC000488311747 529898950 /nfs/dbraw/zinc/89/89/50/529898950.db2.gz ILHOHDPHVLLPRR-UHFFFAOYSA-N 1 2 233.275 0.769 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000595308454 537828357 /nfs/dbraw/zinc/82/83/57/537828357.db2.gz OFQWPPQLXDCHOW-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000595308454 537828361 /nfs/dbraw/zinc/82/83/61/537828361.db2.gz OFQWPPQLXDCHOW-NXEZZACHSA-N 1 2 243.303 0.428 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000507264579 529921567 /nfs/dbraw/zinc/92/15/67/529921567.db2.gz PHNSNUSCCHAXCZ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000507264579 529921569 /nfs/dbraw/zinc/92/15/69/529921569.db2.gz PHNSNUSCCHAXCZ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CC[C@@H](C)n1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603200549 349885485 /nfs/dbraw/zinc/88/54/85/349885485.db2.gz ZEZBGXICMOHPKS-APPZFPTMSA-N 1 2 226.280 0.292 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000625467773 343872449 /nfs/dbraw/zinc/87/24/49/343872449.db2.gz AZJNYUPDOZGTBF-DTWKUNHWSA-N 1 2 212.249 0.486 20 0 BCADLO O=C(C[NH+]1CCCC1)NCC(F)(F)F ZINC000048419113 343945150 /nfs/dbraw/zinc/94/51/50/343945150.db2.gz UUNFQJGBSZZBIW-UHFFFAOYSA-N 1 2 210.199 0.761 20 0 BCADLO CCCSCC(=O)N1CC[NH+](C)CC1 ZINC000048369371 343913206 /nfs/dbraw/zinc/91/32/06/343913206.db2.gz KUMHZAJZAAGQBO-UHFFFAOYSA-N 1 2 216.350 0.904 20 0 BCADLO CC(=O)c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178415 362256678 /nfs/dbraw/zinc/25/66/78/362256678.db2.gz VSZQRCYVNBLETO-UHFFFAOYSA-N 1 2 245.286 0.990 20 0 BCADLO CO[C@@H](Cn1cc(Cn2cc[nH+]c2)nn1)C1CC1 ZINC000641184182 362260887 /nfs/dbraw/zinc/26/08/87/362260887.db2.gz ZAAOWBIMCMIJAW-LBPRGKRZSA-N 1 2 247.302 0.948 20 0 BCADLO CC(C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000135089509 343932580 /nfs/dbraw/zinc/93/25/80/343932580.db2.gz BTKGKHWLDNQBKV-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CC(=O)N1CC[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000408000187 343957905 /nfs/dbraw/zinc/95/79/05/343957905.db2.gz ZXDDGBCXQBPMQU-SECBINFHSA-N 1 2 236.275 0.069 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC(C)(C)C1 ZINC000683981118 488250552 /nfs/dbraw/zinc/25/05/52/488250552.db2.gz BGZKCGVEVJUWDY-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO CCC(CC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641251112 362333537 /nfs/dbraw/zinc/33/35/37/362333537.db2.gz WIJILTIDTGVZRC-UHFFFAOYSA-N 1 2 245.348 0.991 20 0 BCADLO Oc1ccc2c(c1)C[N@@H+](CCn1cncn1)C2 ZINC000625727562 344058753 /nfs/dbraw/zinc/05/87/53/344058753.db2.gz YRTHQUGVKIFDIM-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BCADLO Oc1ccc2c(c1)C[N@H+](CCn1cncn1)C2 ZINC000625727562 344058754 /nfs/dbraw/zinc/05/87/54/344058754.db2.gz YRTHQUGVKIFDIM-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn(C2CC2)c1 ZINC000625742867 344061826 /nfs/dbraw/zinc/06/18/26/344061826.db2.gz QOMZCIWIGCHDKA-UHFFFAOYSA-N 1 2 231.259 0.871 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn(C2CC2)c1 ZINC000625742867 344061827 /nfs/dbraw/zinc/06/18/27/344061827.db2.gz QOMZCIWIGCHDKA-UHFFFAOYSA-N 1 2 231.259 0.871 20 0 BCADLO C[NH+]1CCN(c2ccc3c(n2)C(=O)CC3)CC1 ZINC000641250427 362325839 /nfs/dbraw/zinc/32/58/39/362325839.db2.gz TVNYZOBVMCOOQK-UHFFFAOYSA-N 1 2 231.299 0.962 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cn[nH]c2)c1 ZINC000313469989 344072877 /nfs/dbraw/zinc/07/28/77/344072877.db2.gz GWLFXDHUWUUMOQ-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CCCNC(=O)CNc1cc[nH+]cc1F ZINC000641262411 362337645 /nfs/dbraw/zinc/33/76/45/362337645.db2.gz HKWWMLDBAVSJMI-UHFFFAOYSA-N 1 2 211.240 0.581 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ccccn1 ZINC000624619096 344105461 /nfs/dbraw/zinc/10/54/61/344105461.db2.gz VBHIBAUOIKQJKG-JTQLQIEISA-N 1 2 207.277 0.824 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ccccn1 ZINC000624619096 344105464 /nfs/dbraw/zinc/10/54/64/344105464.db2.gz VBHIBAUOIKQJKG-JTQLQIEISA-N 1 2 207.277 0.824 20 0 BCADLO CCCNC(=O)CCNc1cc(CO)cc[nH+]1 ZINC000641305854 362355199 /nfs/dbraw/zinc/35/51/99/362355199.db2.gz UKHKUESUTHYINC-UHFFFAOYSA-N 1 2 237.303 0.902 20 0 BCADLO NC(=O)CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641299324 362350869 /nfs/dbraw/zinc/35/08/69/362350869.db2.gz RUKAYBLBGZGOGP-UHFFFAOYSA-N 1 2 249.314 0.666 20 0 BCADLO OCc1cc[nH+]c(NCCn2cccn2)c1 ZINC000641304377 362353633 /nfs/dbraw/zinc/35/36/33/362353633.db2.gz PWIIKPYOZBTDFC-UHFFFAOYSA-N 1 2 218.260 0.883 20 0 BCADLO CCOC(=O)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000603241912 349904102 /nfs/dbraw/zinc/90/41/02/349904102.db2.gz PNIJDJANXAXPAM-UHFFFAOYSA-N 1 2 249.274 0.280 20 0 BCADLO Cc1noc(CCNc2cc[nH+]cc2F)n1 ZINC000641321139 362362450 /nfs/dbraw/zinc/36/24/50/362362450.db2.gz UTGLTBNLJCEFPV-UHFFFAOYSA-N 1 2 222.223 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000221421818 259373567 /nfs/dbraw/zinc/37/35/67/259373567.db2.gz HFBDZSYQBHNPRT-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000221421818 259373569 /nfs/dbraw/zinc/37/35/69/259373569.db2.gz HFBDZSYQBHNPRT-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO O=C1NCCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641322287 362362614 /nfs/dbraw/zinc/36/26/14/362362614.db2.gz XNJFXVZYBQIGOY-VIFPVBQESA-N 1 2 209.224 0.333 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCCCN(C)C1=O ZINC000634739868 344162069 /nfs/dbraw/zinc/16/20/69/344162069.db2.gz HXHOZTWEDXJPGB-JTQLQIEISA-N 1 2 236.319 0.852 20 0 BCADLO C[C@@H](CN1CCCC1=O)Nc1cc(CO)cc[nH+]1 ZINC000641307079 362355832 /nfs/dbraw/zinc/35/58/32/362355832.db2.gz ZEULQFNPKWTTKR-JTQLQIEISA-N 1 2 249.314 0.997 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754204 344207724 /nfs/dbraw/zinc/20/77/24/344207724.db2.gz WYEXYRYEMOGBMJ-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754204 344207725 /nfs/dbraw/zinc/20/77/25/344207725.db2.gz WYEXYRYEMOGBMJ-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628134741 344189067 /nfs/dbraw/zinc/18/90/67/344189067.db2.gz ZSJMOUSLBAUZDP-UHFFFAOYSA-N 1 2 238.335 0.937 20 0 BCADLO OCc1cc[nH+]c(NCC2(O)CCOCC2)c1 ZINC000641343707 362372261 /nfs/dbraw/zinc/37/22/61/362372261.db2.gz GKEXIZWVWZPQLZ-UHFFFAOYSA-N 1 2 238.287 0.527 20 0 BCADLO O=S1CCN(c2cc[nH+]cc2F)CC1 ZINC000603288191 349907450 /nfs/dbraw/zinc/90/74/50/349907450.db2.gz NGBAASFSYJGORB-UHFFFAOYSA-N 1 2 214.265 0.789 20 0 BCADLO CCN(Cc1c[nH+]c[nH]1)[C@@H](C)CS(C)(=O)=O ZINC000093390647 344315368 /nfs/dbraw/zinc/31/53/68/344315368.db2.gz HDZYIFWLCBMNNL-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO CCN(Cc1c[nH]c[nH+]1)[C@@H](C)CS(C)(=O)=O ZINC000093390647 344315370 /nfs/dbraw/zinc/31/53/70/344315370.db2.gz HDZYIFWLCBMNNL-VIFPVBQESA-N 1 2 245.348 0.665 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1 ZINC000133711221 344321034 /nfs/dbraw/zinc/32/10/34/344321034.db2.gz HUELKIZNVXRLHB-BDAKNGLRSA-N 1 2 200.282 0.280 20 0 BCADLO COC[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641370593 362379917 /nfs/dbraw/zinc/37/99/17/362379917.db2.gz FRRIHQYFSJLQHN-JTQLQIEISA-N 1 2 214.240 0.452 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606965 344357813 /nfs/dbraw/zinc/35/78/13/344357813.db2.gz CENZHEVUPXHXKO-DTWKUNHWSA-N 1 2 225.292 0.758 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634777071 344301082 /nfs/dbraw/zinc/30/10/82/344301082.db2.gz WQNUPKQSXCZNSQ-AOOOYVTPSA-N 1 2 235.287 0.365 20 0 BCADLO O=C1CCC(=O)N1CCNc1cc[nH+]cc1F ZINC000641376408 362381098 /nfs/dbraw/zinc/38/10/98/362381098.db2.gz DOMHWTCYLBIZBK-UHFFFAOYSA-N 1 2 237.234 0.204 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ncoc2C)CC1 ZINC000102487013 344432031 /nfs/dbraw/zinc/43/20/31/344432031.db2.gz BKEPRBBNTWBMJT-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO COC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620612461 344368392 /nfs/dbraw/zinc/36/83/92/344368392.db2.gz WEYULOCWJRNNEW-MRVPVSSYSA-N 1 2 223.276 0.776 20 0 BCADLO Cc1c(CN(C)C(=O)Cn2cc[nH+]c2)cnn1C ZINC000584265756 344372264 /nfs/dbraw/zinc/37/22/64/344372264.db2.gz ZVJYGXLTJKYGAO-UHFFFAOYSA-N 1 2 247.302 0.584 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cn1cc[nH+]c1 ZINC000380706903 344434111 /nfs/dbraw/zinc/43/41/11/344434111.db2.gz MHJZCXKNAJREER-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO COC[C@@H](CCO)Nc1cc[nH+]cc1F ZINC000641387852 362388550 /nfs/dbraw/zinc/38/85/50/362388550.db2.gz JUJUSRBYZVMPLG-MRVPVSSYSA-N 1 2 214.240 0.452 20 0 BCADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2OC)C[C@H]1O ZINC000399894082 344402549 /nfs/dbraw/zinc/40/25/49/344402549.db2.gz ZMASMDDYABSRHQ-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2OC)C[C@H]1O ZINC000399894082 344402552 /nfs/dbraw/zinc/40/25/52/344402552.db2.gz ZMASMDDYABSRHQ-HTQZYQBOSA-N 1 2 238.291 0.275 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1csc(C)n1 ZINC000041010912 344411595 /nfs/dbraw/zinc/41/15/95/344411595.db2.gz FECMIBCDSUYSJU-UHFFFAOYSA-N 1 2 248.373 0.976 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000042251042 344447956 /nfs/dbraw/zinc/44/79/56/344447956.db2.gz YUTUPBZENFBARU-MRVPVSSYSA-N 1 2 228.292 0.135 20 0 BCADLO CC1(NS(=O)(=O)CCn2cc[nH+]c2)CCC1 ZINC000641396209 362392013 /nfs/dbraw/zinc/39/20/13/362392013.db2.gz XZKDIKSNJXMURY-UHFFFAOYSA-N 1 2 243.332 0.745 20 0 BCADLO Cc1cc(N[C@@H](C)C(=O)N(C)C)nc[nH+]1 ZINC000042571925 344459502 /nfs/dbraw/zinc/45/95/02/344459502.db2.gz AXPOZCODCXCQOQ-QMMMGPOBSA-N 1 2 208.265 0.674 20 0 BCADLO CC(C)N1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000641397489 362392492 /nfs/dbraw/zinc/39/24/92/362392492.db2.gz MRVBFFZMXKRHMQ-LLVKDONJSA-N 1 2 249.314 0.995 20 0 BCADLO CCCNC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000071950889 344465750 /nfs/dbraw/zinc/46/57/50/344465750.db2.gz DHCSVCRJLQZLCT-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000071950889 344465754 /nfs/dbraw/zinc/46/57/54/344465754.db2.gz DHCSVCRJLQZLCT-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CN(Cc1cc[nH]n1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900980 529981289 /nfs/dbraw/zinc/98/12/89/529981289.db2.gz OJGMOMIKMBBAJB-NSCUHMNNSA-N 1 2 231.259 0.805 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@](C)(O)C1 ZINC000408329048 344507944 /nfs/dbraw/zinc/50/79/44/344507944.db2.gz XRKXNVIQVXSWPN-LLVKDONJSA-N 1 2 238.291 0.086 20 0 BCADLO N#Cc1csc(C[NH2+]C2COCCOC2)n1 ZINC000381483547 344511345 /nfs/dbraw/zinc/51/13/45/344511345.db2.gz GIVJGQNSGANTTG-UHFFFAOYSA-N 1 2 239.300 0.520 20 0 BCADLO C[C@H]1CSC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000306928130 344518543 /nfs/dbraw/zinc/51/85/43/344518543.db2.gz WWHZOPXGTKWKIY-BQBZGAKWSA-N 1 2 213.310 0.051 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000043627015 344528895 /nfs/dbraw/zinc/52/88/95/344528895.db2.gz UFOSCOAEGNVTLL-HRDYMLBCSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@H]1C(=O)NCCN1c1cc[nH+]cc1F ZINC000641418647 362405218 /nfs/dbraw/zinc/40/52/18/362405218.db2.gz PODNYRCPXFZDLO-ZETCQYMHSA-N 1 2 209.224 0.545 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1cc[nH+]cc1F ZINC000641418645 362405943 /nfs/dbraw/zinc/40/59/43/362405943.db2.gz PODNYRCPXFZDLO-SSDOTTSWSA-N 1 2 209.224 0.545 20 0 BCADLO CCOCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370901745 344550249 /nfs/dbraw/zinc/55/02/49/344550249.db2.gz AIGXOCKMOVQCKZ-VIFPVBQESA-N 1 2 237.303 0.810 20 0 BCADLO CCOCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370901745 344550251 /nfs/dbraw/zinc/55/02/51/344550251.db2.gz AIGXOCKMOVQCKZ-VIFPVBQESA-N 1 2 237.303 0.810 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000127567422 344564314 /nfs/dbraw/zinc/56/43/14/344564314.db2.gz LHBRKVZKVBGIOT-UWVGGRQHSA-N 1 2 247.335 0.561 20 0 BCADLO Cn1cc([C@H](CO)Nc2cc(CO)cc[nH+]2)cn1 ZINC000641464808 362435614 /nfs/dbraw/zinc/43/56/14/362435614.db2.gz XXLHBNQJXAREGK-NSHDSACASA-N 1 2 248.286 0.453 20 0 BCADLO CC1(C)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641465849 362439232 /nfs/dbraw/zinc/43/92/32/362439232.db2.gz PVJZRFWWTWXJDA-UHFFFAOYSA-N 1 2 243.332 0.555 20 0 BCADLO OC[C@H]1C[C@@H](O)CN1c1cc[nH+]cc1F ZINC000641466610 362440274 /nfs/dbraw/zinc/44/02/74/362440274.db2.gz YQJDGDMBFKQAME-HTQZYQBOSA-N 1 2 212.224 0.153 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000641471383 362441411 /nfs/dbraw/zinc/44/14/11/362441411.db2.gz XQZUTZRZMRCSHT-WCBMZHEXSA-N 1 2 237.278 0.969 20 0 BCADLO CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047676252 344581802 /nfs/dbraw/zinc/58/18/02/344581802.db2.gz HIWFEPCLSQYMQA-VIFPVBQESA-N 1 2 210.281 0.981 20 0 BCADLO CN(C)C(=O)NCCN(C)c1cc[nH+]cc1F ZINC000641475305 362443798 /nfs/dbraw/zinc/44/37/98/362443798.db2.gz HHUPJEXOJHIGBH-UHFFFAOYSA-N 1 2 240.282 0.928 20 0 BCADLO CCN(C(=O)C[NH+]1CCOCC1)C1CC1 ZINC000048044969 344582614 /nfs/dbraw/zinc/58/26/14/344582614.db2.gz GSUOUAKOCCBOEH-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO OCc1cc[nH+]c(NCC2(CO)CC2)c1 ZINC000641428712 362411782 /nfs/dbraw/zinc/41/17/82/362411782.db2.gz QYDBMWCYZJRIAI-UHFFFAOYSA-N 1 2 208.261 0.758 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000048776041 344589416 /nfs/dbraw/zinc/58/94/16/344589416.db2.gz GVAAAWZDKCCAPN-JTQLQIEISA-N 1 2 222.288 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000048776041 344589418 /nfs/dbraw/zinc/58/94/18/344589418.db2.gz GVAAAWZDKCCAPN-JTQLQIEISA-N 1 2 222.288 0.665 20 0 BCADLO C[C@@H]1C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641484127 362452229 /nfs/dbraw/zinc/45/22/29/362452229.db2.gz JCLLAQMGBHZKGN-RKDXNWHRSA-N 1 2 229.305 0.211 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1cc[nH+]cc1F ZINC000641505223 362467594 /nfs/dbraw/zinc/46/75/94/362467594.db2.gz WZSCCWFXOPOAGQ-QMMMGPOBSA-N 1 2 223.251 0.888 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1c1cc(CO)cc[nH+]1 ZINC000641504949 362467806 /nfs/dbraw/zinc/46/78/06/362467806.db2.gz UXTPGVYTEVQEBW-SECBINFHSA-N 1 2 235.287 0.241 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625999572 344661181 /nfs/dbraw/zinc/66/11/81/344661181.db2.gz WWXLIHKUEMWMAF-JTQLQIEISA-N 1 2 232.299 0.571 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000625999572 344661183 /nfs/dbraw/zinc/66/11/83/344661183.db2.gz WWXLIHKUEMWMAF-JTQLQIEISA-N 1 2 232.299 0.571 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](CCF)C1)N1CCCC1 ZINC000626001582 344662281 /nfs/dbraw/zinc/66/22/81/344662281.db2.gz UBHUSTVUIRALDM-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](CCF)C1)N1CCCC1 ZINC000626001582 344662282 /nfs/dbraw/zinc/66/22/82/344662282.db2.gz UBHUSTVUIRALDM-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](CCF)C1)N1CCCC1 ZINC000626001581 344662483 /nfs/dbraw/zinc/66/24/83/344662483.db2.gz UBHUSTVUIRALDM-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](CCF)C1)N1CCCC1 ZINC000626001581 344662486 /nfs/dbraw/zinc/66/24/86/344662486.db2.gz UBHUSTVUIRALDM-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002292 344663206 /nfs/dbraw/zinc/66/32/06/344663206.db2.gz KFNCBRPKYLYNCN-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000626002292 344663208 /nfs/dbraw/zinc/66/32/08/344663208.db2.gz KFNCBRPKYLYNCN-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006164 344664542 /nfs/dbraw/zinc/66/45/42/344664542.db2.gz SCRTZQDRMPIHRC-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006164 344664543 /nfs/dbraw/zinc/66/45/43/344664543.db2.gz SCRTZQDRMPIHRC-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626005269 344667458 /nfs/dbraw/zinc/66/74/58/344667458.db2.gz ZGVFTHSDNZTEHS-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626005269 344667461 /nfs/dbraw/zinc/66/74/61/344667461.db2.gz ZGVFTHSDNZTEHS-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO COC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000050068142 344719416 /nfs/dbraw/zinc/71/94/16/344719416.db2.gz RPDHTJXFNRLOIG-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO COC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000050068142 344719419 /nfs/dbraw/zinc/71/94/19/344719419.db2.gz RPDHTJXFNRLOIG-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000050067286 344719496 /nfs/dbraw/zinc/71/94/96/344719496.db2.gz IXGHLFDEARNMOA-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000050067286 344719497 /nfs/dbraw/zinc/71/94/97/344719497.db2.gz IXGHLFDEARNMOA-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000050117031 344721864 /nfs/dbraw/zinc/72/18/64/344721864.db2.gz IBGFOCSLCSOIPT-JTQLQIEISA-N 1 2 230.333 0.891 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000050117031 344721868 /nfs/dbraw/zinc/72/18/68/344721868.db2.gz IBGFOCSLCSOIPT-JTQLQIEISA-N 1 2 230.333 0.891 20 0 BCADLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)[nH]1 ZINC000050134632 344724996 /nfs/dbraw/zinc/72/49/96/344724996.db2.gz OLKCEUBEOUZZQO-UHFFFAOYSA-N 1 2 210.277 0.738 20 0 BCADLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)[nH]1 ZINC000050134632 344724998 /nfs/dbraw/zinc/72/49/98/344724998.db2.gz OLKCEUBEOUZZQO-UHFFFAOYSA-N 1 2 210.277 0.738 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000626080618 344725529 /nfs/dbraw/zinc/72/55/29/344725529.db2.gz MBCAOLVHOWQIEX-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000626080618 344725530 /nfs/dbraw/zinc/72/55/30/344725530.db2.gz MBCAOLVHOWQIEX-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000626080924 344727208 /nfs/dbraw/zinc/72/72/08/344727208.db2.gz TWLVLKULMMLMQE-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000626080924 344727209 /nfs/dbraw/zinc/72/72/09/344727209.db2.gz TWLVLKULMMLMQE-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000626037226 344688285 /nfs/dbraw/zinc/68/82/85/344688285.db2.gz DWKYCHKYVLTOPZ-OCAPTIKFSA-N 1 2 224.264 0.074 20 0 BCADLO Cc1noc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000626037226 344688287 /nfs/dbraw/zinc/68/82/87/344688287.db2.gz DWKYCHKYVLTOPZ-OCAPTIKFSA-N 1 2 224.264 0.074 20 0 BCADLO C[C@@]1(C(N)=O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641547769 362494847 /nfs/dbraw/zinc/49/48/47/362494847.db2.gz UQSDFLIDFVOYEY-GFCCVEGCSA-N 1 2 235.287 0.276 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](O)CC)C1CC1 ZINC000050063786 344717482 /nfs/dbraw/zinc/71/74/82/344717482.db2.gz GAOZWEJLRXDGSN-SNVBAGLBSA-N 1 2 215.293 0.785 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](O)CC)C1CC1 ZINC000050063786 344717483 /nfs/dbraw/zinc/71/74/83/344717483.db2.gz GAOZWEJLRXDGSN-SNVBAGLBSA-N 1 2 215.293 0.785 20 0 BCADLO COC(=O)[C@]1(F)CCN(c2cc[nH+]c(C)n2)C1 ZINC000074777349 344759430 /nfs/dbraw/zinc/75/94/30/344759430.db2.gz KOXUQCYJJCKKPT-NSHDSACASA-N 1 2 239.250 0.876 20 0 BCADLO COC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000075163013 344767915 /nfs/dbraw/zinc/76/79/15/344767915.db2.gz GGVPHDGRARKSMU-UHFFFAOYSA-N 1 2 211.265 0.873 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCSC1 ZINC000494953832 530024200 /nfs/dbraw/zinc/02/42/00/530024200.db2.gz JZHZTCMUMNSUJN-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCSC1 ZINC000494953832 530024202 /nfs/dbraw/zinc/02/42/02/530024202.db2.gz JZHZTCMUMNSUJN-QMMMGPOBSA-N 1 2 212.322 0.990 20 0 BCADLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)on1 ZINC000408231795 344754520 /nfs/dbraw/zinc/75/45/20/344754520.db2.gz JWVOWBVLHNNEOS-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000408231795 344754522 /nfs/dbraw/zinc/75/45/22/344754522.db2.gz JWVOWBVLHNNEOS-QMMMGPOBSA-N 1 2 239.275 0.459 20 0 BCADLO CNc1ccc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291322232 537859855 /nfs/dbraw/zinc/85/98/55/537859855.db2.gz UWYLFUOUIRHRMH-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CO ZINC000623037460 347075201 /nfs/dbraw/zinc/07/52/01/347075201.db2.gz NPCYVKDUKNJWDP-QWRGUYRKSA-N 1 2 237.303 0.360 20 0 BCADLO CCO[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291331808 537860991 /nfs/dbraw/zinc/86/09/91/537860991.db2.gz VOZXVPYEPNPRQT-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](CC)CCO)n1 ZINC000076719284 344808935 /nfs/dbraw/zinc/80/89/35/344808935.db2.gz URQYOLPEFWBHJD-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](CC)CCO)n1 ZINC000076719284 344808937 /nfs/dbraw/zinc/80/89/37/344808937.db2.gz URQYOLPEFWBHJD-VIFPVBQESA-N 1 2 243.307 0.981 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCc1cnn(C)c1 ZINC000077269038 344814535 /nfs/dbraw/zinc/81/45/35/344814535.db2.gz VVRCHIKDQSAGAB-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO CCCCN(CC(N)=O)Cc1[nH]cc(C)[nH+]1 ZINC000628145353 344820103 /nfs/dbraw/zinc/82/01/03/344820103.db2.gz LGEWIGJIUINNGC-UHFFFAOYSA-N 1 2 224.308 0.806 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000187800511 259381486 /nfs/dbraw/zinc/38/14/86/259381486.db2.gz IVCJBCQSARFJFF-VIFPVBQESA-N 1 2 249.376 0.984 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000187800511 259381487 /nfs/dbraw/zinc/38/14/87/259381487.db2.gz IVCJBCQSARFJFF-VIFPVBQESA-N 1 2 249.376 0.984 20 0 BCADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000588936125 344823040 /nfs/dbraw/zinc/82/30/40/344823040.db2.gz JAIHKYVNEJUVLY-IJLUTSLNSA-N 1 2 239.363 0.395 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000068407527 349920229 /nfs/dbraw/zinc/92/02/29/349920229.db2.gz VJZNYLWKUSLAAB-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000673080411 488275171 /nfs/dbraw/zinc/27/51/71/488275171.db2.gz VUYZZNUCZZJGDY-GHMZBOCLSA-N 1 2 241.335 0.368 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000628159770 344855393 /nfs/dbraw/zinc/85/53/93/344855393.db2.gz XBXNYROZOGADNE-QWRGUYRKSA-N 1 2 248.330 0.961 20 0 BCADLO C[C@@H](CC(=O)Nc1ccncc1O)n1cc[nH+]c1 ZINC000582126444 344843710 /nfs/dbraw/zinc/84/37/10/344843710.db2.gz DHOZSTLCRSZHBU-VIFPVBQESA-N 1 2 246.270 0.995 20 0 BCADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000408240657 344865611 /nfs/dbraw/zinc/86/56/11/344865611.db2.gz FETPUNZDUAVMEU-VIFPVBQESA-N 1 2 239.323 0.385 20 0 BCADLO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@H](O)C1 ZINC000408240657 344865613 /nfs/dbraw/zinc/86/56/13/344865613.db2.gz FETPUNZDUAVMEU-VIFPVBQESA-N 1 2 239.323 0.385 20 0 BCADLO COc1ccc(C[N@@H+]2CCCOCC2)nn1 ZINC000338234322 537870122 /nfs/dbraw/zinc/87/01/22/537870122.db2.gz NYBMHMHCGZPKFO-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO COc1ccc(C[N@H+]2CCCOCC2)nn1 ZINC000338234322 537870128 /nfs/dbraw/zinc/87/01/28/537870128.db2.gz NYBMHMHCGZPKFO-UHFFFAOYSA-N 1 2 223.276 0.708 20 0 BCADLO COCC[N@H+](Cc1cnc(C)o1)[C@H](C)C(N)=O ZINC000628164313 344872563 /nfs/dbraw/zinc/87/25/63/344872563.db2.gz LNQUWLYUGKVGTF-MRVPVSSYSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cnc(C)o1)[C@H](C)C(N)=O ZINC000628164313 344872565 /nfs/dbraw/zinc/87/25/65/344872565.db2.gz LNQUWLYUGKVGTF-MRVPVSSYSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@H+](Cc1cnc(C)o1)[C@@H](C)C(N)=O ZINC000628164314 344872841 /nfs/dbraw/zinc/87/28/41/344872841.db2.gz LNQUWLYUGKVGTF-QMMMGPOBSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cnc(C)o1)[C@@H](C)C(N)=O ZINC000628164314 344872844 /nfs/dbraw/zinc/87/28/44/344872844.db2.gz LNQUWLYUGKVGTF-QMMMGPOBSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641551928 362496289 /nfs/dbraw/zinc/49/62/89/362496289.db2.gz KTAXMZRXVLBYPF-SNVBAGLBSA-N 1 2 226.276 0.383 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000583437743 344955051 /nfs/dbraw/zinc/95/50/51/344955051.db2.gz CQEASJSFRUMBLY-RKDXNWHRSA-N 1 2 209.249 0.611 20 0 BCADLO COCCOCC[N@H+](C)Cc1nnc(C)n1C ZINC000079472966 344974306 /nfs/dbraw/zinc/97/43/06/344974306.db2.gz AHTCUPHPCAUIOB-UHFFFAOYSA-N 1 2 242.323 0.218 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nnc(C)n1C ZINC000079472966 344974309 /nfs/dbraw/zinc/97/43/09/344974309.db2.gz AHTCUPHPCAUIOB-UHFFFAOYSA-N 1 2 242.323 0.218 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000628190565 344944280 /nfs/dbraw/zinc/94/42/80/344944280.db2.gz JYCWDAYJJWBUMG-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000628190565 344944281 /nfs/dbraw/zinc/94/42/81/344944281.db2.gz JYCWDAYJJWBUMG-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000628191482 344946069 /nfs/dbraw/zinc/94/60/69/344946069.db2.gz LXDXWFQWTHAGTJ-MRVPVSSYSA-N 1 2 208.265 0.038 20 0 BCADLO CNC(=O)NC1CN(c2nc(C)[nH+]cc2C)C1 ZINC000579252025 344948409 /nfs/dbraw/zinc/94/84/09/344948409.db2.gz QTALQCDIEFVHRB-UHFFFAOYSA-N 1 2 235.291 0.211 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000579480287 345017682 /nfs/dbraw/zinc/01/76/82/345017682.db2.gz BREYASDGBVIVNQ-SSDOTTSWSA-N 1 2 226.305 0.296 20 0 BCADLO Cc1nnsc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000579480287 345017685 /nfs/dbraw/zinc/01/76/85/345017685.db2.gz BREYASDGBVIVNQ-SSDOTTSWSA-N 1 2 226.305 0.296 20 0 BCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)NC1CC1 ZINC000154268534 345023206 /nfs/dbraw/zinc/02/32/06/345023206.db2.gz FXLBWNPVHGVXLH-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)NC1CC1 ZINC000154268534 345023208 /nfs/dbraw/zinc/02/32/08/345023208.db2.gz FXLBWNPVHGVXLH-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO NC(=O)C[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641598154 362537873 /nfs/dbraw/zinc/53/78/73/362537873.db2.gz KCIHVSXIKLWSGO-MRVPVSSYSA-N 1 2 223.251 0.922 20 0 BCADLO Cc1nc(N2C[C@@H](O)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408292669 345063293 /nfs/dbraw/zinc/06/32/93/345063293.db2.gz UNBAJGQJOPSQGX-APPZFPTMSA-N 1 2 237.307 0.206 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC000408292669 345063295 /nfs/dbraw/zinc/06/32/95/345063295.db2.gz UNBAJGQJOPSQGX-APPZFPTMSA-N 1 2 237.307 0.206 20 0 BCADLO Cc1cncc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000079954553 345064005 /nfs/dbraw/zinc/06/40/05/345064005.db2.gz WFJSYYQXWRJGGE-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cncc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000079954553 345064009 /nfs/dbraw/zinc/06/40/09/345064009.db2.gz WFJSYYQXWRJGGE-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO OCc1cc[nH+]c(N2CCO[C@H]3C[C@H]32)c1 ZINC000641605772 362542181 /nfs/dbraw/zinc/54/21/81/362542181.db2.gz LPJQOEKPMUJSQV-ZJUUUORDSA-N 1 2 206.245 0.551 20 0 BCADLO CCCN(CC(N)=O)c1cc[nH+]cc1F ZINC000641608598 362543176 /nfs/dbraw/zinc/54/31/76/362543176.db2.gz UXKVOEOPCQDEFI-UHFFFAOYSA-N 1 2 211.240 0.922 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1noc(C)n1 ZINC000155083175 345066875 /nfs/dbraw/zinc/06/68/75/345066875.db2.gz RXTAFXWBGSUTDZ-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1noc(C)n1 ZINC000155083175 345066878 /nfs/dbraw/zinc/06/68/78/345066878.db2.gz RXTAFXWBGSUTDZ-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CN(CC1(O)CCCC1)C(=O)Cn1cc[nH+]c1 ZINC000310451847 259382508 /nfs/dbraw/zinc/38/25/08/259382508.db2.gz YEXNNPBYFHIMIH-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641650849 362575920 /nfs/dbraw/zinc/57/59/20/362575920.db2.gz VITZMPXSYZWZHX-KNVOCYPGSA-N 1 2 209.224 0.318 20 0 BCADLO OC[C@@H](CCF)Nc1cc[nH+]cc1F ZINC000641653899 362577365 /nfs/dbraw/zinc/57/73/65/362577365.db2.gz WBIGSPBVIBJPDC-SSDOTTSWSA-N 1 2 202.204 0.775 20 0 BCADLO O[C@]1(CCNc2cc[nH+]cc2F)CCCOC1 ZINC000641654181 362577809 /nfs/dbraw/zinc/57/78/09/362577809.db2.gz XUFXOPFRLZFEFD-LBPRGKRZSA-N 1 2 240.278 0.986 20 0 BCADLO OCc1cc[nH+]c(N[C@H](CO)CCF)c1 ZINC000641652188 362578786 /nfs/dbraw/zinc/57/87/86/362578786.db2.gz JLKJXXGPUZEGBJ-VIFPVBQESA-N 1 2 214.240 0.706 20 0 BCADLO C[C@]1(CNc2cc(CO)cc[nH+]2)CCC(=O)N1 ZINC000641626247 362555350 /nfs/dbraw/zinc/55/53/50/362555350.db2.gz HAPBWBAQWKQSCA-GFCCVEGCSA-N 1 2 235.287 0.655 20 0 BCADLO CC[C@H](Nc1cc[nH+]cc1F)C(=O)NC ZINC000641625151 362558168 /nfs/dbraw/zinc/55/81/68/362558168.db2.gz OWZWJXZTSOGDJJ-QMMMGPOBSA-N 1 2 211.240 0.579 20 0 BCADLO O=C1NCCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641629949 362560378 /nfs/dbraw/zinc/56/03/78/362560378.db2.gz ORJJSDMGYQSTEL-MRVPVSSYSA-N 1 2 223.251 0.581 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]cc2F)CC[C@@H]1O ZINC000641635290 362564651 /nfs/dbraw/zinc/56/46/51/362564651.db2.gz ATJQBHQTBRXYJV-KCJUWKMLSA-N 1 2 226.251 0.400 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc[nH+]cc1F ZINC000641633871 362564728 /nfs/dbraw/zinc/56/47/28/362564728.db2.gz UIWHAJJIOJDETP-WDEREUQCSA-N 1 2 228.267 0.576 20 0 BCADLO CNC(=O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641639578 362566860 /nfs/dbraw/zinc/56/68/60/362566860.db2.gz JELDGNORXJWMIG-QMMMGPOBSA-N 1 2 223.251 0.793 20 0 BCADLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccon1 ZINC000634982787 345164047 /nfs/dbraw/zinc/16/40/47/345164047.db2.gz VQVXAULXACKJPL-MRVPVSSYSA-N 1 2 247.320 0.092 20 0 BCADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccon2)CC1=O ZINC000634965401 345141594 /nfs/dbraw/zinc/14/15/94/345141594.db2.gz JQJVWCRIDBMQBW-DVVUODLYSA-N 1 2 235.287 0.774 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000561615736 345156153 /nfs/dbraw/zinc/15/61/53/345156153.db2.gz RFFHNAZDUOEOHW-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000561615736 345156154 /nfs/dbraw/zinc/15/61/54/345156154.db2.gz RFFHNAZDUOEOHW-SECBINFHSA-N 1 2 222.292 0.576 20 0 BCADLO C[C@H]([NH2+]Cc1ccon1)C(=O)NCCF ZINC000634980181 345156813 /nfs/dbraw/zinc/15/68/13/345156813.db2.gz YMFVEHPWBJXNBP-ZETCQYMHSA-N 1 2 215.228 0.238 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635060221 345230165 /nfs/dbraw/zinc/23/01/65/345230165.db2.gz UTBXAKCCBOFKHF-OPRDCNLKSA-N 1 2 235.287 0.808 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635060221 345230170 /nfs/dbraw/zinc/23/01/70/345230170.db2.gz UTBXAKCCBOFKHF-OPRDCNLKSA-N 1 2 235.287 0.808 20 0 BCADLO CC(C)C[C@@H](C(=O)NCCO)n1cc[nH+]c1 ZINC000635062500 345234333 /nfs/dbraw/zinc/23/43/33/345234333.db2.gz MAPLCVYDPWLYFO-JTQLQIEISA-N 1 2 225.292 0.579 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1coc(CO)c1 ZINC000635067009 345235853 /nfs/dbraw/zinc/23/58/53/345235853.db2.gz HPXFQVSMXOOKPO-UHFFFAOYSA-N 1 2 249.270 0.789 20 0 BCADLO NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635097103 345245423 /nfs/dbraw/zinc/24/54/23/345245423.db2.gz ADOCFIKAEOODIW-YFKPBYRVSA-N 1 2 207.155 0.862 20 0 BCADLO CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635349334 345317736 /nfs/dbraw/zinc/31/77/36/345317736.db2.gz BKVRYYSDEGBVTJ-RKDXNWHRSA-N 1 2 223.276 0.666 20 0 BCADLO CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635349334 345317738 /nfs/dbraw/zinc/31/77/38/345317738.db2.gz BKVRYYSDEGBVTJ-RKDXNWHRSA-N 1 2 223.276 0.666 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000408468760 345320644 /nfs/dbraw/zinc/32/06/44/345320644.db2.gz RIXOQWLHIJPKEM-NRPADANISA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000408468760 345320646 /nfs/dbraw/zinc/32/06/46/345320646.db2.gz RIXOQWLHIJPKEM-NRPADANISA-N 1 2 224.308 0.877 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635247477 345284019 /nfs/dbraw/zinc/28/40/19/345284019.db2.gz APCZBQSBTJQTJW-DJLDLDEBSA-N 1 2 223.276 0.400 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635247477 345284021 /nfs/dbraw/zinc/28/40/21/345284021.db2.gz APCZBQSBTJQTJW-DJLDLDEBSA-N 1 2 223.276 0.400 20 0 BCADLO CC(C)C[C@@H](C(=O)N(C)CCO)n1cc[nH+]c1 ZINC000635249746 345286969 /nfs/dbraw/zinc/28/69/69/345286969.db2.gz YJMJRKWEVGNBHE-NSHDSACASA-N 1 2 239.319 0.921 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCn1cc[nH+]c1 ZINC000635279250 345294500 /nfs/dbraw/zinc/29/45/00/345294500.db2.gz FWLXXLJSFPVXLB-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO CCC(=O)N1CCN(c2cc[nH+]c(C)n2)C1 ZINC000425273786 192087034 /nfs/dbraw/zinc/08/70/34/192087034.db2.gz JWNDKPRPIUABTA-UHFFFAOYSA-N 1 2 220.276 0.801 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)CO ZINC000562318893 345341451 /nfs/dbraw/zinc/34/14/51/345341451.db2.gz NPOKRYDOPQMUFY-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2ccnn2C)[nH+]1 ZINC000635462384 345382081 /nfs/dbraw/zinc/38/20/81/345382081.db2.gz QLFWZFWIRMSAAH-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO CC(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000159114418 345410767 /nfs/dbraw/zinc/41/07/67/345410767.db2.gz DPRKPUKGGAYCFR-ZDUSSCGKSA-N 1 2 246.310 0.878 20 0 BCADLO CC(=O)CC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000159114418 345410769 /nfs/dbraw/zinc/41/07/69/345410769.db2.gz DPRKPUKGGAYCFR-ZDUSSCGKSA-N 1 2 246.310 0.878 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC[C@@H](O)C1 ZINC000574893732 345437147 /nfs/dbraw/zinc/43/71/47/345437147.db2.gz MRCCQHSOIIOLER-OPRDCNLKSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC[C@@H](O)C1 ZINC000574893732 345437152 /nfs/dbraw/zinc/43/71/52/345437152.db2.gz MRCCQHSOIIOLER-OPRDCNLKSA-N 1 2 249.314 0.544 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)CC(=O)N(C)C)[nH+]1 ZINC000080763905 345449856 /nfs/dbraw/zinc/44/98/56/345449856.db2.gz JTIOVDLSDRNCIR-UHFFFAOYSA-N 1 2 247.302 0.791 20 0 BCADLO CCc1cc(C(=O)NCc2[nH+]ccn2C)n(C)n1 ZINC000635497384 345397524 /nfs/dbraw/zinc/39/75/24/345397524.db2.gz YMHUNAYMVMOWPR-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000378713301 345492731 /nfs/dbraw/zinc/49/27/31/345492731.db2.gz VXZGLVAPILCBFW-IONNQARKSA-N 1 2 201.266 0.563 20 0 BCADLO CCn1cc(CNc2cc[nH+]cc2F)nn1 ZINC000641659154 362584277 /nfs/dbraw/zinc/58/42/77/362584277.db2.gz KOCLBCKJYHAHDJ-UHFFFAOYSA-N 1 2 221.239 0.866 20 0 BCADLO C[C@H](O)C1CN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000641659186 362584352 /nfs/dbraw/zinc/58/43/52/362584352.db2.gz LRGJRSBTBZJECX-VIFPVBQESA-N 1 2 248.330 0.282 20 0 BCADLO C[C@H](O)C1CN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000641659186 362584354 /nfs/dbraw/zinc/58/43/54/362584354.db2.gz LRGJRSBTBZJECX-VIFPVBQESA-N 1 2 248.330 0.282 20 0 BCADLO CN(C[C@@H]1COCCO1)c1cc(CO)cc[nH+]1 ZINC000641659904 362585746 /nfs/dbraw/zinc/58/57/46/362585746.db2.gz UDZIMZAADFGRDR-LLVKDONJSA-N 1 2 238.287 0.426 20 0 BCADLO C[C@H](O)[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641661509 362585973 /nfs/dbraw/zinc/58/59/73/362585973.db2.gz VDNQMRRFHPECJH-GXSJLCMTSA-N 1 2 222.288 0.924 20 0 BCADLO OCc1cc[nH+]c(N2CCC3(COC3)C2)c1 ZINC000641668587 362590331 /nfs/dbraw/zinc/59/03/31/362590331.db2.gz PGBXAVZHTZDPLR-UHFFFAOYSA-N 1 2 220.272 0.801 20 0 BCADLO COC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000641674311 362591279 /nfs/dbraw/zinc/59/12/79/362591279.db2.gz SGNPGSYBCQATFZ-QMMMGPOBSA-N 1 2 211.265 0.114 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2CCCOC2)[nH+]1 ZINC000635530421 345461139 /nfs/dbraw/zinc/46/11/39/345461139.db2.gz APOKLOYAWNCMMN-JTQLQIEISA-N 1 2 237.303 0.810 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081436491 345474386 /nfs/dbraw/zinc/47/43/86/345474386.db2.gz PYJFQFNGSPWLCX-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081436491 345474389 /nfs/dbraw/zinc/47/43/89/345474389.db2.gz PYJFQFNGSPWLCX-MXWKQRLJSA-N 1 2 226.320 0.574 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000635546026 345573684 /nfs/dbraw/zinc/57/36/84/345573684.db2.gz NAAVAGXKLAPVBW-UHFFFAOYSA-N 1 2 219.248 0.414 20 0 BCADLO O=c1[nH]nc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)[nH]1 ZINC000091589823 345600210 /nfs/dbraw/zinc/60/02/10/345600210.db2.gz JDVUCBFDUJHFKZ-RKDXNWHRSA-N 1 2 222.292 0.720 20 0 BCADLO CCOC(=O)CN(CCOC)Cc1c[nH+]c[nH]1 ZINC000091774899 345604494 /nfs/dbraw/zinc/60/44/94/345604494.db2.gz CKXLGZXLAFDKHM-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)CN(CCOC)Cc1c[nH]c[nH+]1 ZINC000091774899 345604495 /nfs/dbraw/zinc/60/44/95/345604495.db2.gz CKXLGZXLAFDKHM-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092198955 345606556 /nfs/dbraw/zinc/60/65/56/345606556.db2.gz DNZOBYIAHYYULL-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092216932 345608633 /nfs/dbraw/zinc/60/86/33/345608633.db2.gz HIIOMRGVDBOQSW-ZJUUUORDSA-N 1 2 237.303 0.804 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cc(COC)on1 ZINC000641703251 362612222 /nfs/dbraw/zinc/61/22/22/362612222.db2.gz KWZCLKWZDLKLPW-QMMMGPOBSA-N 1 2 241.291 0.435 20 0 BCADLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000093706265 345663266 /nfs/dbraw/zinc/66/32/66/345663266.db2.gz OORXCCIJWPUXDN-JTQLQIEISA-N 1 2 238.287 0.305 20 0 BCADLO CCCCC[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000092618650 345641560 /nfs/dbraw/zinc/64/15/60/345641560.db2.gz BMKFDFIBQXMTBG-UHFFFAOYSA-N 1 2 228.296 0.083 20 0 BCADLO CCCCC[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000092618650 345641562 /nfs/dbraw/zinc/64/15/62/345641562.db2.gz BMKFDFIBQXMTBG-UHFFFAOYSA-N 1 2 228.296 0.083 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000641711938 362622649 /nfs/dbraw/zinc/62/26/49/362622649.db2.gz MDWKDSMFZGRJBP-PRHODGIISA-N 1 2 232.287 0.622 20 0 BCADLO O[C@@]12C[C@@H]1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000641711938 362622653 /nfs/dbraw/zinc/62/26/53/362622653.db2.gz MDWKDSMFZGRJBP-PRHODGIISA-N 1 2 232.287 0.622 20 0 BCADLO Cc1cc(N2CCNC(=O)[C@H]2C(C)C)nc[nH+]1 ZINC000092939881 345648524 /nfs/dbraw/zinc/64/85/24/345648524.db2.gz UVOJFDBQYWPDCE-LLVKDONJSA-N 1 2 234.303 0.746 20 0 BCADLO O[C@@H](CNc1cc[nH+]cc1F)[C@H]1CCCO1 ZINC000641678075 362599723 /nfs/dbraw/zinc/59/97/23/362599723.db2.gz PZXKCYUEPHHBPD-WDEREUQCSA-N 1 2 226.251 0.594 20 0 BCADLO C[C@@H]1[C@H](Nc2cc[nH+]cc2F)CCS1(=O)=O ZINC000641678898 362600789 /nfs/dbraw/zinc/60/07/89/362600789.db2.gz WCVUEVRNNKKCBF-VXNVDRBHSA-N 1 2 244.291 0.630 20 0 BCADLO CCOC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093323374 345652050 /nfs/dbraw/zinc/65/20/50/345652050.db2.gz GPHPBHMKFOJRHJ-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CCOC(=O)[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093323374 345652053 /nfs/dbraw/zinc/65/20/53/345652053.db2.gz GPHPBHMKFOJRHJ-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO COCc1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000093101480 345656967 /nfs/dbraw/zinc/65/69/67/345656967.db2.gz XRMBFYHUDDIXSX-UHFFFAOYSA-N 1 2 238.287 0.748 20 0 BCADLO COCc1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000093101480 345656970 /nfs/dbraw/zinc/65/69/70/345656970.db2.gz XRMBFYHUDDIXSX-UHFFFAOYSA-N 1 2 238.287 0.748 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccn1C ZINC000093441577 345670720 /nfs/dbraw/zinc/67/07/20/345670720.db2.gz IZIILWVWSOJJGP-QWRGUYRKSA-N 1 2 238.287 0.133 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccn1C ZINC000093441577 345670724 /nfs/dbraw/zinc/67/07/24/345670724.db2.gz IZIILWVWSOJJGP-QWRGUYRKSA-N 1 2 238.287 0.133 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000093483905 345673836 /nfs/dbraw/zinc/67/38/36/345673836.db2.gz RDEDNNSGKHRXMN-PHIMTYICSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000093483905 345673839 /nfs/dbraw/zinc/67/38/39/345673839.db2.gz RDEDNNSGKHRXMN-PHIMTYICSA-N 1 2 247.216 0.641 20 0 BCADLO Cc1cc(N[C@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000082757079 345739171 /nfs/dbraw/zinc/73/91/71/345739171.db2.gz SGUDVRALEWIIAJ-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO CCCCO[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000143472137 345706695 /nfs/dbraw/zinc/70/66/95/345706695.db2.gz LNACYNSQYNINMN-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO Cc1nc(N2CCC[C@@H]2CO)nc(N(C)C)[nH+]1 ZINC000147471700 345711012 /nfs/dbraw/zinc/71/10/12/345711012.db2.gz UMBOHCHWTWEBPS-SECBINFHSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2CO)[nH+]1 ZINC000147471700 345711013 /nfs/dbraw/zinc/71/10/13/345711013.db2.gz UMBOHCHWTWEBPS-SECBINFHSA-N 1 2 237.307 0.207 20 0 BCADLO C[C@H](N(C)C(=O)Cc1c[nH+]cn1C)C(C)(C)O ZINC000622642144 345713774 /nfs/dbraw/zinc/71/37/74/345713774.db2.gz STLJUROHZVWCNM-VIFPVBQESA-N 1 2 239.319 0.580 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000200175988 345727971 /nfs/dbraw/zinc/72/79/71/345727971.db2.gz VRWZCLFNRXTZIR-NXEZZACHSA-N 1 2 212.293 0.232 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000200175988 345727975 /nfs/dbraw/zinc/72/79/75/345727975.db2.gz VRWZCLFNRXTZIR-NXEZZACHSA-N 1 2 212.293 0.232 20 0 BCADLO Cc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000140733464 345821375 /nfs/dbraw/zinc/82/13/75/345821375.db2.gz RELIXIPNWURZSF-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO Cc1ncc(C(=O)NCCc2cn(C)c[nH+]2)[nH]1 ZINC000622685931 345802202 /nfs/dbraw/zinc/80/22/02/345802202.db2.gz QNPMDPINURJNKR-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cc1nn(C)cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685935 345802220 /nfs/dbraw/zinc/80/22/20/345802220.db2.gz QROSXFMYOJMWCY-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO CC(=O)Nc1ccccc1C[N@H+](C)CC(N)=O ZINC000141584530 345847426 /nfs/dbraw/zinc/84/74/26/345847426.db2.gz GBNDTIPKPBKFGZ-UHFFFAOYSA-N 1 2 235.287 0.562 20 0 BCADLO CC(=O)Nc1ccccc1C[N@@H+](C)CC(N)=O ZINC000141584530 345847430 /nfs/dbraw/zinc/84/74/30/345847430.db2.gz GBNDTIPKPBKFGZ-UHFFFAOYSA-N 1 2 235.287 0.562 20 0 BCADLO Cc1[nH]c(C(=O)NCCO[C@@H]2CC2(F)F)c[nH+]1 ZINC000618128381 345852166 /nfs/dbraw/zinc/85/21/66/345852166.db2.gz AYYNJFVFIPIBIK-MRVPVSSYSA-N 1 2 245.229 0.872 20 0 BCADLO C[C@@H](NC(=O)CCn1cccn1)c1[nH]cc[nH+]1 ZINC000140988008 345826679 /nfs/dbraw/zinc/82/66/79/345826679.db2.gz KTHYVCXZAYKZRT-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635617505 345895428 /nfs/dbraw/zinc/89/54/28/345895428.db2.gz HTDMOVVXUZOUFR-BTQIBKBOSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635617505 345895432 /nfs/dbraw/zinc/89/54/32/345895432.db2.gz HTDMOVVXUZOUFR-BTQIBKBOSA-N 1 2 249.314 0.790 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C(F)F)C1 ZINC000684339229 488294832 /nfs/dbraw/zinc/29/48/32/488294832.db2.gz AJXJGLPGYCPXGN-SSDOTTSWSA-N 1 2 236.262 0.477 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@H](OC)C2)[nH+]1 ZINC000635648978 345925889 /nfs/dbraw/zinc/92/58/89/345925889.db2.gz NWDYUQCUKHTUTK-JTQLQIEISA-N 1 2 237.303 0.762 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)C(C)(C)O)[nH+]1 ZINC000635635945 345910937 /nfs/dbraw/zinc/91/09/37/345910937.db2.gz ROTXTBPIQQLIOC-MRVPVSSYSA-N 1 2 239.319 0.790 20 0 BCADLO CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1nn[nH]n1 ZINC000635659389 345938167 /nfs/dbraw/zinc/93/81/67/345938167.db2.gz NVBXJGCEYUHURV-HTQZYQBOSA-N 1 2 240.311 0.107 20 0 BCADLO COc1cc[nH+]cc1NC(=O)Cn1cncn1 ZINC000623081785 345944505 /nfs/dbraw/zinc/94/45/05/345944505.db2.gz DAFBJFAFFXBJES-UHFFFAOYSA-N 1 2 233.231 0.320 20 0 BCADLO Cc1ccnc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000605570742 345968907 /nfs/dbraw/zinc/96/89/07/345968907.db2.gz CLCMYKOFWXZDMH-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000605570742 345968910 /nfs/dbraw/zinc/96/89/10/345968910.db2.gz CLCMYKOFWXZDMH-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CCCO)[nH+]1 ZINC000635671831 345971277 /nfs/dbraw/zinc/97/12/77/345971277.db2.gz XVDDJJIJKPGEGL-VIFPVBQESA-N 1 2 239.319 0.792 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000585716443 345980835 /nfs/dbraw/zinc/98/08/35/345980835.db2.gz HQLGFOBHOJIRIA-QMMMGPOBSA-N 1 2 215.322 0.565 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000585716443 345980837 /nfs/dbraw/zinc/98/08/37/345980837.db2.gz HQLGFOBHOJIRIA-QMMMGPOBSA-N 1 2 215.322 0.565 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CC)CCO)[nH+]1 ZINC000635699471 345987885 /nfs/dbraw/zinc/98/78/85/345987885.db2.gz RGDKZNAHZVMDLE-SECBINFHSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ccnc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000605570162 345966687 /nfs/dbraw/zinc/96/66/87/345966687.db2.gz YGNWLBNCKGMDKF-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccnc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000605570162 345966692 /nfs/dbraw/zinc/96/66/92/345966692.db2.gz YGNWLBNCKGMDKF-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cocn2)c[nH+]1 ZINC000601006633 345997482 /nfs/dbraw/zinc/99/74/82/345997482.db2.gz NCXUEFXKOQHNQL-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000635742718 346054768 /nfs/dbraw/zinc/05/47/68/346054768.db2.gz HOQUKKGGVOISLM-XNDJQWLSSA-N 1 2 249.314 0.743 20 0 BCADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000635742718 346054771 /nfs/dbraw/zinc/05/47/71/346054771.db2.gz HOQUKKGGVOISLM-XNDJQWLSSA-N 1 2 249.314 0.743 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2CO)[nH+]1 ZINC000635740066 346041032 /nfs/dbraw/zinc/04/10/32/346041032.db2.gz NPYBJKSULMIZHD-JTQLQIEISA-N 1 2 237.303 0.498 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635730526 346042079 /nfs/dbraw/zinc/04/20/79/346042079.db2.gz LHYVMGLOWCBDQF-DJLDLDEBSA-N 1 2 223.276 0.352 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635730526 346042081 /nfs/dbraw/zinc/04/20/81/346042081.db2.gz LHYVMGLOWCBDQF-DJLDLDEBSA-N 1 2 223.276 0.352 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2(CO)CC2)[nH+]1 ZINC000635730643 346042096 /nfs/dbraw/zinc/04/20/96/346042096.db2.gz MJWBCYPTJNLENW-UHFFFAOYSA-N 1 2 223.276 0.156 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000635790109 346069944 /nfs/dbraw/zinc/06/99/44/346069944.db2.gz BYTXKJSZJBEVFK-BDAKNGLRSA-N 1 2 239.319 0.790 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635811756 346074621 /nfs/dbraw/zinc/07/46/21/346074621.db2.gz IJQDQRZUXLZFNX-VYEHJAMSSA-N 1 2 249.314 0.957 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635811756 346074624 /nfs/dbraw/zinc/07/46/24/346074624.db2.gz IJQDQRZUXLZFNX-VYEHJAMSSA-N 1 2 249.314 0.957 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635820653 346076154 /nfs/dbraw/zinc/07/61/54/346076154.db2.gz QYSPRRSFDZRUPM-DEKFOEGESA-N 1 2 249.314 0.789 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635820653 346076155 /nfs/dbraw/zinc/07/61/55/346076155.db2.gz QYSPRRSFDZRUPM-DEKFOEGESA-N 1 2 249.314 0.789 20 0 BCADLO O=C(NCCC1(O)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635909920 346107199 /nfs/dbraw/zinc/10/71/99/346107199.db2.gz NUZQBLXXKVFYNY-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO CCCc1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000051821680 346084846 /nfs/dbraw/zinc/08/48/46/346084846.db2.gz JYIFJGPSIFJVTE-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCCc1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000051821680 346084847 /nfs/dbraw/zinc/08/48/47/346084847.db2.gz JYIFJGPSIFJVTE-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO O=C(NCCC1(O)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635909920 346107201 /nfs/dbraw/zinc/10/72/01/346107201.db2.gz NUZQBLXXKVFYNY-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000051822055 346086050 /nfs/dbraw/zinc/08/60/50/346086050.db2.gz FIHFOGXJXUSHRJ-SSDOTTSWSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000051822055 346086051 /nfs/dbraw/zinc/08/60/51/346086051.db2.gz FIHFOGXJXUSHRJ-SSDOTTSWSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000051822054 346086181 /nfs/dbraw/zinc/08/61/81/346086181.db2.gz FIHFOGXJXUSHRJ-ZETCQYMHSA-N 1 2 211.265 0.760 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000051822054 346086183 /nfs/dbraw/zinc/08/61/83/346086183.db2.gz FIHFOGXJXUSHRJ-ZETCQYMHSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCC(=O)[C@H](C)C2)[nH+]1 ZINC000635832884 346086274 /nfs/dbraw/zinc/08/62/74/346086274.db2.gz YMAFAQFXKUGSDL-SECBINFHSA-N 1 2 249.314 0.952 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(F)C2)[nH+]1 ZINC000635793313 346064399 /nfs/dbraw/zinc/06/43/99/346064399.db2.gz VUYPRSSTDSXWHT-UHFFFAOYSA-N 1 2 211.240 0.695 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@@H](CC)CO)[nH+]1 ZINC000635990241 346141471 /nfs/dbraw/zinc/14/14/71/346141471.db2.gz PPOPQTYQKRIFSA-JTQLQIEISA-N 1 2 239.319 0.744 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)O ZINC000635991582 346141836 /nfs/dbraw/zinc/14/18/36/346141836.db2.gz PGRRIOLANIPBLP-ZYUZMQFOSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)O ZINC000635991582 346141839 /nfs/dbraw/zinc/14/18/39/346141839.db2.gz PGRRIOLANIPBLP-ZYUZMQFOSA-N 1 2 237.303 0.789 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCn2nccc21 ZINC000635909220 346107323 /nfs/dbraw/zinc/10/73/23/346107323.db2.gz WSFJCIUWCFAMDI-RKDXNWHRSA-N 1 2 243.270 0.757 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCn2nccc21 ZINC000635909220 346107325 /nfs/dbraw/zinc/10/73/25/346107325.db2.gz WSFJCIUWCFAMDI-RKDXNWHRSA-N 1 2 243.270 0.757 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOCC12CC2 ZINC000635905470 346110131 /nfs/dbraw/zinc/11/01/31/346110131.db2.gz LPDVXFVMDKGBJM-NXEZZACHSA-N 1 2 247.298 0.905 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOCC12CC2 ZINC000635905470 346110134 /nfs/dbraw/zinc/11/01/34/346110134.db2.gz LPDVXFVMDKGBJM-NXEZZACHSA-N 1 2 247.298 0.905 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCc2cn[nH]c2)[nH+]1 ZINC000635943884 346118260 /nfs/dbraw/zinc/11/82/60/346118260.db2.gz WULSBPDTAJUJCO-UHFFFAOYSA-N 1 2 247.302 0.597 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635969763 346127834 /nfs/dbraw/zinc/12/78/34/346127834.db2.gz HABSTIABEKAKAG-NXEZZACHSA-N 1 2 235.287 0.761 20 0 BCADLO CCOC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635969763 346127837 /nfs/dbraw/zinc/12/78/37/346127837.db2.gz HABSTIABEKAKAG-NXEZZACHSA-N 1 2 235.287 0.761 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635958062 346132271 /nfs/dbraw/zinc/13/22/71/346132271.db2.gz RBDNSWQZODNHRK-WAAGHKOSSA-N 1 2 236.271 0.477 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000635984460 346138367 /nfs/dbraw/zinc/13/83/67/346138367.db2.gz ALUGHLBAXWHIMZ-MRVPVSSYSA-N 1 2 231.259 0.269 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)c2[nH+]ccn21 ZINC000635994946 346144646 /nfs/dbraw/zinc/14/46/46/346144646.db2.gz KBHZNCYNEVJGPF-IMSYWVGJSA-N 1 2 235.287 0.776 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635982012 346147062 /nfs/dbraw/zinc/14/70/62/346147062.db2.gz AWSKROUDCFXASU-DTORHVGOSA-N 1 2 223.276 0.290 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000628241323 346203842 /nfs/dbraw/zinc/20/38/42/346203842.db2.gz RCZGPYRNNWTESY-JTQLQIEISA-N 1 2 232.291 0.757 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000628241323 346203844 /nfs/dbraw/zinc/20/38/44/346203844.db2.gz RCZGPYRNNWTESY-JTQLQIEISA-N 1 2 232.291 0.757 20 0 BCADLO Cc1c[nH]c(CN2CCOC[C@H]2c2ncon2)[nH+]1 ZINC000628235578 346188988 /nfs/dbraw/zinc/18/89/88/346188988.db2.gz SWPLCRYHDNKJMM-VIFPVBQESA-N 1 2 249.274 0.675 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](C)O[C@H](CO)C2)[nH+]1 ZINC000628246781 346214277 /nfs/dbraw/zinc/21/42/77/346214277.db2.gz CKDMVWKBVSEERW-UWVGGRQHSA-N 1 2 225.292 0.300 20 0 BCADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000279449946 346241459 /nfs/dbraw/zinc/24/14/59/346241459.db2.gz VNTDRJUHLCGLDN-SNVBAGLBSA-N 1 2 237.303 0.503 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C)[C@@H](C)C2)[nH+]c1C ZINC000628263759 346262549 /nfs/dbraw/zinc/26/25/49/346262549.db2.gz MCCPSCXWYGOYDF-QMMMGPOBSA-N 1 2 236.319 0.689 20 0 BCADLO Cc1c[nH]c(CN2CC[C@@](F)(CO)C2)[nH+]1 ZINC000628264992 346266177 /nfs/dbraw/zinc/26/61/77/346266177.db2.gz LUDXEZYAWASAOI-JTQLQIEISA-N 1 2 213.256 0.624 20 0 BCADLO Cc1conc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000631156443 346280007 /nfs/dbraw/zinc/28/00/07/346280007.db2.gz NFKMNJDEARFLRV-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332773463 537964922 /nfs/dbraw/zinc/96/49/22/537964922.db2.gz XOVLXKNOHZYQOW-HBNTYKKESA-N 1 2 249.314 0.739 20 0 BCADLO Cc1n[nH]cc1CN(C)C(=O)CCn1cc[nH+]c1 ZINC000636076573 346312542 /nfs/dbraw/zinc/31/25/42/346312542.db2.gz DNJIBBXQMFJKOE-UHFFFAOYSA-N 1 2 247.302 0.963 20 0 BCADLO COCc1cc(C[NH2+][C@@H]2COC[C@@H]2OC)no1 ZINC000641760950 362683608 /nfs/dbraw/zinc/68/36/08/362683608.db2.gz LRVLQYPREUFITM-MNOVXSKESA-N 1 2 242.275 0.324 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H](O)C1CCC1 ZINC000636102927 346319624 /nfs/dbraw/zinc/31/96/24/346319624.db2.gz ZAJPRJIATMSGHV-CMPLNLGQSA-N 1 2 249.314 0.475 20 0 BCADLO CCc1nc(C[N@@H+]2CCOC[C@@H](O)C2)cs1 ZINC000294932341 346322879 /nfs/dbraw/zinc/32/28/79/346322879.db2.gz ZOWGVJFFVNAJGL-JTQLQIEISA-N 1 2 242.344 0.899 20 0 BCADLO CCc1nc(C[N@H+]2CCOC[C@@H](O)C2)cs1 ZINC000294932341 346322882 /nfs/dbraw/zinc/32/28/82/346322882.db2.gz ZOWGVJFFVNAJGL-JTQLQIEISA-N 1 2 242.344 0.899 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636201502 346351472 /nfs/dbraw/zinc/35/14/72/346351472.db2.gz LWRREAVFSPJMKN-DNRKLUKYSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636201502 346351475 /nfs/dbraw/zinc/35/14/75/346351475.db2.gz LWRREAVFSPJMKN-DNRKLUKYSA-N 1 2 249.314 0.885 20 0 BCADLO COCc1cc(C[NH2+][C@@H](C)C(=O)N(C)C)no1 ZINC000641764534 362696014 /nfs/dbraw/zinc/69/60/14/362696014.db2.gz SWPTULSEZOFKMQ-QMMMGPOBSA-N 1 2 241.291 0.387 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332975911 537971106 /nfs/dbraw/zinc/97/11/06/537971106.db2.gz GQSSNKQJSZZGEV-OPRDCNLKSA-N 1 2 234.303 0.906 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2(C)COC2)[nH+]1 ZINC000636311610 346388839 /nfs/dbraw/zinc/38/88/39/346388839.db2.gz HFSXQYFBTLRNDE-UHFFFAOYSA-N 1 2 223.276 0.420 20 0 BCADLO O=C(CCC(F)F)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000684464592 488316687 /nfs/dbraw/zinc/31/66/87/488316687.db2.gz AYPQOAPHAPHNOW-SECBINFHSA-N 1 2 247.289 0.148 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000603406759 349957229 /nfs/dbraw/zinc/95/72/29/349957229.db2.gz VCKVRUOLKWWZTJ-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000603406759 349957232 /nfs/dbraw/zinc/95/72/32/349957232.db2.gz VCKVRUOLKWWZTJ-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563402758 323123056 /nfs/dbraw/zinc/12/30/56/323123056.db2.gz DEZVTSIEAFCYBJ-SCZZXKLOSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563402758 323123057 /nfs/dbraw/zinc/12/30/57/323123057.db2.gz DEZVTSIEAFCYBJ-SCZZXKLOSA-N 1 2 225.292 0.475 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332675778 346420034 /nfs/dbraw/zinc/42/00/34/346420034.db2.gz BQPLEEUDHZZNEQ-GHMZBOCLSA-N 1 2 249.314 0.333 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000171112280 346427693 /nfs/dbraw/zinc/42/76/93/346427693.db2.gz NIBGQBMFFDMEIZ-SNVBAGLBSA-N 1 2 243.351 0.358 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000171112280 346427695 /nfs/dbraw/zinc/42/76/95/346427695.db2.gz NIBGQBMFFDMEIZ-SNVBAGLBSA-N 1 2 243.351 0.358 20 0 BCADLO CCNC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000170645828 346428986 /nfs/dbraw/zinc/42/89/86/346428986.db2.gz HMCOILBFTQMULO-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO CCNC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000170645828 346428989 /nfs/dbraw/zinc/42/89/89/346428989.db2.gz HMCOILBFTQMULO-UHFFFAOYSA-N 1 2 244.335 0.786 20 0 BCADLO CCNC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000170860201 346462651 /nfs/dbraw/zinc/46/26/51/346462651.db2.gz RSCAPIROWUEBQG-UHFFFAOYSA-N 1 2 246.270 0.200 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2O)C1 ZINC000636402153 346467531 /nfs/dbraw/zinc/46/75/31/346467531.db2.gz LFCPYCZHFUVGNC-MNOVXSKESA-N 1 2 240.347 0.748 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246052976 323127183 /nfs/dbraw/zinc/12/71/83/323127183.db2.gz AZJXBGLGRACADS-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246052976 323127184 /nfs/dbraw/zinc/12/71/84/323127184.db2.gz AZJXBGLGRACADS-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO CC(C)(CC(N)=O)[NH2+]Cc1nc(C2CC2)no1 ZINC000186214594 346496236 /nfs/dbraw/zinc/49/62/36/346496236.db2.gz ZJXCHANOAGWDNN-UHFFFAOYSA-N 1 2 238.291 0.691 20 0 BCADLO C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1F ZINC000679227148 488322285 /nfs/dbraw/zinc/32/22/85/488322285.db2.gz WWELWCCZPFWOPU-IUCAKERBSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1F ZINC000679227148 488322286 /nfs/dbraw/zinc/32/22/86/488322286.db2.gz WWELWCCZPFWOPU-IUCAKERBSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ccnn2C)[C@H](C(N)=O)C1 ZINC000187391539 346572723 /nfs/dbraw/zinc/57/27/23/346572723.db2.gz XUZVUOHPPQKTBH-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ccnn2C)[C@H](C(N)=O)C1 ZINC000187391539 346572727 /nfs/dbraw/zinc/57/27/27/346572727.db2.gz XUZVUOHPPQKTBH-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2nncn2C)C1 ZINC000187528801 346582671 /nfs/dbraw/zinc/58/26/71/346582671.db2.gz SZJUJLPUQVJXIJ-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2nncn2C)C1 ZINC000187528801 346582673 /nfs/dbraw/zinc/58/26/73/346582673.db2.gz SZJUJLPUQVJXIJ-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC(=O)CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000203580869 346640351 /nfs/dbraw/zinc/64/03/51/346640351.db2.gz WXSGGHKLWIIGAF-UHFFFAOYSA-N 1 2 221.260 0.595 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000589635457 346720315 /nfs/dbraw/zinc/72/03/15/346720315.db2.gz PWYJCSHGVJXZBT-UHFFFAOYSA-N 1 2 232.287 0.741 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)CCNC(C)=O ZINC000308124673 346688858 /nfs/dbraw/zinc/68/88/58/346688858.db2.gz XHYDOAKOFQKXIW-SNVBAGLBSA-N 1 2 230.308 0.396 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)CCNC(C)=O ZINC000308124673 346688859 /nfs/dbraw/zinc/68/88/59/346688859.db2.gz XHYDOAKOFQKXIW-SNVBAGLBSA-N 1 2 230.308 0.396 20 0 BCADLO COC(=O)C(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000310486482 323132763 /nfs/dbraw/zinc/13/27/63/323132763.db2.gz FAXXQKCUJXTJJQ-UHFFFAOYSA-N 1 2 239.275 0.199 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)n1C ZINC000299891259 347152066 /nfs/dbraw/zinc/15/20/66/347152066.db2.gz LHJFOKQFSKTYQX-PSASIEDQSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1C ZINC000299891259 347152069 /nfs/dbraw/zinc/15/20/69/347152069.db2.gz LHJFOKQFSKTYQX-PSASIEDQSA-N 1 2 224.308 0.326 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388032758 347160092 /nfs/dbraw/zinc/16/00/92/347160092.db2.gz LFIBSEAKNRWKQC-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388032758 347160096 /nfs/dbraw/zinc/16/00/96/347160096.db2.gz LFIBSEAKNRWKQC-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000571177623 323137139 /nfs/dbraw/zinc/13/71/39/323137139.db2.gz OVANBDVFMREVEA-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000571177623 323137140 /nfs/dbraw/zinc/13/71/40/323137140.db2.gz OVANBDVFMREVEA-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CCC1 ZINC000571103188 323135984 /nfs/dbraw/zinc/13/59/84/323135984.db2.gz ZTGZPJCLWIYXHC-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CCC1 ZINC000571103188 323135985 /nfs/dbraw/zinc/13/59/85/323135985.db2.gz ZTGZPJCLWIYXHC-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCCN(C)C1=O ZINC000679310792 488333239 /nfs/dbraw/zinc/33/32/39/488333239.db2.gz BVIKWSKFBLPXPG-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCCN(C)C1=O ZINC000679310792 488333242 /nfs/dbraw/zinc/33/32/42/488333242.db2.gz BVIKWSKFBLPXPG-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO C[C@@H](NC(=O)CC1(O)CCC1)c1[nH]cc[nH+]1 ZINC000571297794 323140581 /nfs/dbraw/zinc/14/05/81/323140581.db2.gz QTIVOWFAJLUZPS-MRVPVSSYSA-N 1 2 223.276 0.892 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000618401957 347234399 /nfs/dbraw/zinc/23/43/99/347234399.db2.gz DEZVTSIEAFCYBJ-PSASIEDQSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000618401957 347234401 /nfs/dbraw/zinc/23/44/01/347234401.db2.gz DEZVTSIEAFCYBJ-PSASIEDQSA-N 1 2 225.292 0.475 20 0 BCADLO CCN(CC)C(=O)NCc1c[nH+]cn1C ZINC000349781690 537987932 /nfs/dbraw/zinc/98/79/32/537987932.db2.gz HEYXLQOEWJROPF-UHFFFAOYSA-N 1 2 210.281 0.972 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000152292348 362818332 /nfs/dbraw/zinc/81/83/32/362818332.db2.gz INVBNBYWYROHEK-STQMWFEESA-N 1 2 246.310 0.842 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000152292348 362818338 /nfs/dbraw/zinc/81/83/38/362818338.db2.gz INVBNBYWYROHEK-STQMWFEESA-N 1 2 246.310 0.842 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC(C)(OC)C1 ZINC000382627398 347375577 /nfs/dbraw/zinc/37/55/77/347375577.db2.gz VBJQVAOWOMDYBN-UHFFFAOYSA-N 1 2 224.264 0.293 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC(C)(OC)C1 ZINC000382627398 347375579 /nfs/dbraw/zinc/37/55/79/347375579.db2.gz VBJQVAOWOMDYBN-UHFFFAOYSA-N 1 2 224.264 0.293 20 0 BCADLO COC(=O)CCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193675701 347400914 /nfs/dbraw/zinc/40/09/14/347400914.db2.gz RTPSGVOZXNCLOC-LBPRGKRZSA-N 1 2 243.303 0.431 20 0 BCADLO COC(=O)CCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193675701 347400918 /nfs/dbraw/zinc/40/09/18/347400918.db2.gz RTPSGVOZXNCLOC-LBPRGKRZSA-N 1 2 243.303 0.431 20 0 BCADLO CCn1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616921281 347450431 /nfs/dbraw/zinc/45/04/31/347450431.db2.gz LPLCDJMKHVMCNJ-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CCn1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616921281 347450434 /nfs/dbraw/zinc/45/04/34/347450434.db2.gz LPLCDJMKHVMCNJ-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)no1 ZINC000333335766 537989700 /nfs/dbraw/zinc/98/97/00/537989700.db2.gz RVQFVEGMQVFYNT-JGVFFNPUSA-N 1 2 238.291 0.389 20 0 BCADLO Cc1n[nH]cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923501 347453454 /nfs/dbraw/zinc/45/34/54/347453454.db2.gz JVQWBGFYAHKUFD-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO Cc1n[nH]cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923501 347453456 /nfs/dbraw/zinc/45/34/56/347453456.db2.gz JVQWBGFYAHKUFD-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923595 347455011 /nfs/dbraw/zinc/45/50/11/347455011.db2.gz NGCZRZXFDOVODB-ZJUUUORDSA-N 1 2 223.276 0.793 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923595 347455013 /nfs/dbraw/zinc/45/50/13/347455013.db2.gz NGCZRZXFDOVODB-ZJUUUORDSA-N 1 2 223.276 0.793 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCOC1 ZINC000616924845 347456208 /nfs/dbraw/zinc/45/62/08/347456208.db2.gz YFYPWEVQKBSEOB-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCOC1 ZINC000616924845 347456211 /nfs/dbraw/zinc/45/62/11/347456211.db2.gz YFYPWEVQKBSEOB-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC=CC1 ZINC000636558444 347424822 /nfs/dbraw/zinc/42/48/22/347424822.db2.gz RYDGBKZZLOJFRS-LLVKDONJSA-N 1 2 239.319 0.289 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)c1ccco1 ZINC000493028542 347486329 /nfs/dbraw/zinc/48/63/29/347486329.db2.gz URUFXBSAKGUHKI-UMBAGQNISA-N 1 2 247.254 0.866 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CC[C@H](C)O ZINC000590700866 347489474 /nfs/dbraw/zinc/48/94/74/347489474.db2.gz PODPJBLSSKFDPL-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CC[C@H](C)O ZINC000590700866 347489478 /nfs/dbraw/zinc/48/94/78/347489478.db2.gz PODPJBLSSKFDPL-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@](=O)CC)C[C@@H]1C ZINC000590684826 347490554 /nfs/dbraw/zinc/49/05/54/347490554.db2.gz YPXGANOJYPLKSN-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@](=O)CC)C[C@@H]1C ZINC000590684826 347490555 /nfs/dbraw/zinc/49/05/55/347490555.db2.gz YPXGANOJYPLKSN-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCC[C@@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926935 347459504 /nfs/dbraw/zinc/45/95/04/347459504.db2.gz VXDCKKDDACGPPG-LLVKDONJSA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926935 347459506 /nfs/dbraw/zinc/45/95/06/347459506.db2.gz VXDCKKDDACGPPG-LLVKDONJSA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)[C@H](COCC)C(=O)OC ZINC000590707816 347498217 /nfs/dbraw/zinc/49/82/17/347498217.db2.gz WHMJZJKOXQTFLF-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)[C@H](COCC)C(=O)OC ZINC000590707816 347498218 /nfs/dbraw/zinc/49/82/18/347498218.db2.gz WHMJZJKOXQTFLF-GHMZBOCLSA-N 1 2 247.335 0.657 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000590599087 347479684 /nfs/dbraw/zinc/47/96/84/347479684.db2.gz HFQUGYBIFADCNZ-SNVBAGLBSA-N 1 2 227.333 0.423 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000590599087 347479685 /nfs/dbraw/zinc/47/96/85/347479685.db2.gz HFQUGYBIFADCNZ-SNVBAGLBSA-N 1 2 227.333 0.423 20 0 BCADLO CSC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000590599087 347479686 /nfs/dbraw/zinc/47/96/86/347479686.db2.gz HFQUGYBIFADCNZ-SNVBAGLBSA-N 1 2 227.333 0.423 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1[nH+]ccn1C ZINC000590737491 347501703 /nfs/dbraw/zinc/50/17/03/347501703.db2.gz DTCRHGHCGNXSIY-VIFPVBQESA-N 1 2 237.303 0.851 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COCC1CC1 ZINC000590737576 347502380 /nfs/dbraw/zinc/50/23/80/347502380.db2.gz PPUOPSKTDJYOJZ-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO CCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590794947 347552503 /nfs/dbraw/zinc/55/25/03/347552503.db2.gz ZKFICFSMZFKVNG-JTQLQIEISA-N 1 2 243.332 0.870 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1cccnc1 ZINC000590836011 347572291 /nfs/dbraw/zinc/57/22/91/347572291.db2.gz FZBXJQLSARBKOX-UHFFFAOYSA-N 1 2 202.217 0.917 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2nc[nH]n2)CC1 ZINC000364870538 347574644 /nfs/dbraw/zinc/57/46/44/347574644.db2.gz IQTGIKXPPJHCTK-UWVGGRQHSA-N 1 2 249.318 0.072 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@@H](C)CO)C(=O)OC ZINC000590966945 347596158 /nfs/dbraw/zinc/59/61/58/347596158.db2.gz JVGPORZDTFVIJN-KOLCDFICSA-N 1 2 233.308 0.173 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1COC(C)(C)C1 ZINC000617048880 347636693 /nfs/dbraw/zinc/63/66/93/347636693.db2.gz VVFNPMLGINBSAD-VIFPVBQESA-N 1 2 237.303 0.944 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](CC)OC ZINC000591376522 347650368 /nfs/dbraw/zinc/65/03/68/347650368.db2.gz GVMWOENXKRDINJ-GHMZBOCLSA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](CC)OC ZINC000591376522 347650371 /nfs/dbraw/zinc/65/03/71/347650371.db2.gz GVMWOENXKRDINJ-GHMZBOCLSA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)OC ZINC000591019883 347610533 /nfs/dbraw/zinc/61/05/33/347610533.db2.gz LRVAPQISIVXVMC-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)OC ZINC000591019883 347610534 /nfs/dbraw/zinc/61/05/34/347610534.db2.gz LRVAPQISIVXVMC-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO CC[C@H](C[N@@H+]1CCN(CCOC)C(=O)C1)OC ZINC000419230951 192108422 /nfs/dbraw/zinc/10/84/22/192108422.db2.gz QOZGHOZIQDASCB-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@H](C[N@H+]1CCN(CCOC)C(=O)C1)OC ZINC000419230951 192108423 /nfs/dbraw/zinc/10/84/23/192108423.db2.gz QOZGHOZIQDASCB-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO Cn1nnnc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869124 347704362 /nfs/dbraw/zinc/70/43/62/347704362.db2.gz LNKRUECORDSBQL-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO CC[NH+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066473432 347705841 /nfs/dbraw/zinc/70/58/41/347705841.db2.gz GLCCSRNCQPHACE-UHFFFAOYSA-N 1 2 220.276 0.864 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCSCC1 ZINC000199473302 347726807 /nfs/dbraw/zinc/72/68/07/347726807.db2.gz WVQUXRCDZBEWPU-UHFFFAOYSA-N 1 2 225.317 0.849 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccon2)C1 ZINC000592206086 347756690 /nfs/dbraw/zinc/75/66/90/347756690.db2.gz LXOUBDJLSQYFCO-SCZZXKLOSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccon2)C1 ZINC000592206086 347756692 /nfs/dbraw/zinc/75/66/92/347756692.db2.gz LXOUBDJLSQYFCO-SCZZXKLOSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cocn2)C1 ZINC000592527679 347795623 /nfs/dbraw/zinc/79/56/23/347795623.db2.gz GWWWLVFVWSKQDQ-WCBMZHEXSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cocn2)C1 ZINC000592527679 347795625 /nfs/dbraw/zinc/79/56/25/347795625.db2.gz GWWWLVFVWSKQDQ-WCBMZHEXSA-N 1 2 240.259 0.030 20 0 BCADLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000592863924 347826771 /nfs/dbraw/zinc/82/67/71/347826771.db2.gz KDXIJUMTPDGNAO-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H]1CCC(=O)N1)C1CC1 ZINC000593018899 347845764 /nfs/dbraw/zinc/84/57/64/347845764.db2.gz BSYQQMDLTLKPMU-JOYOIKCWSA-N 1 2 240.303 0.196 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593025062 347846466 /nfs/dbraw/zinc/84/64/66/347846466.db2.gz NNEDVMIDQNCGNM-FVMDXXJSSA-N 1 2 244.360 0.108 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593025062 347846468 /nfs/dbraw/zinc/84/64/68/347846468.db2.gz NNEDVMIDQNCGNM-FVMDXXJSSA-N 1 2 244.360 0.108 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096503 347854414 /nfs/dbraw/zinc/85/44/14/347854414.db2.gz WRTAYZKVIRQLFM-ILMIYZIASA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096503 347854415 /nfs/dbraw/zinc/85/44/15/347854415.db2.gz WRTAYZKVIRQLFM-ILMIYZIASA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096501 347854490 /nfs/dbraw/zinc/85/44/90/347854490.db2.gz WRTAYZKVIRQLFM-MLQVYSHPSA-N 1 2 244.360 0.106 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096501 347854492 /nfs/dbraw/zinc/85/44/92/347854492.db2.gz WRTAYZKVIRQLFM-MLQVYSHPSA-N 1 2 244.360 0.106 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC000593096205 347854502 /nfs/dbraw/zinc/85/45/02/347854502.db2.gz DQJOAGKJYPKXPW-ZIBATOQPSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC000593096205 347854503 /nfs/dbraw/zinc/85/45/03/347854503.db2.gz DQJOAGKJYPKXPW-ZIBATOQPSA-N 1 2 222.313 0.787 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111696164 323162945 /nfs/dbraw/zinc/16/29/45/323162945.db2.gz FAKPQRVQEBMZIA-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111696164 323162946 /nfs/dbraw/zinc/16/29/46/323162946.db2.gz FAKPQRVQEBMZIA-SNVBAGLBSA-N 1 2 240.303 0.246 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593100524 347856480 /nfs/dbraw/zinc/85/64/80/347856480.db2.gz OBTDTNLXMLDYBE-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593100524 347856483 /nfs/dbraw/zinc/85/64/83/347856483.db2.gz OBTDTNLXMLDYBE-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ccn(C)n1 ZINC000593270952 347876489 /nfs/dbraw/zinc/87/64/89/347876489.db2.gz XOSHPIJKAFGGGQ-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO CSCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000195131902 259398973 /nfs/dbraw/zinc/39/89/73/259398973.db2.gz XQHCIRWJLGUAJU-UHFFFAOYSA-N 1 2 214.334 0.656 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncs1 ZINC000593687645 347927586 /nfs/dbraw/zinc/92/75/86/347927586.db2.gz LTCCXDZEQJNUQD-CVXYPUPMSA-N 1 2 228.342 0.848 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncs1 ZINC000593687645 347927588 /nfs/dbraw/zinc/92/75/88/347927588.db2.gz LTCCXDZEQJNUQD-CVXYPUPMSA-N 1 2 228.342 0.848 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000577453674 365955599 /nfs/dbraw/zinc/95/55/99/365955599.db2.gz VDYOJLRGMOBXCV-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000577453674 365955605 /nfs/dbraw/zinc/95/56/05/365955605.db2.gz VDYOJLRGMOBXCV-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000577453674 365955608 /nfs/dbraw/zinc/95/56/08/365955608.db2.gz VDYOJLRGMOBXCV-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000577453674 365955614 /nfs/dbraw/zinc/95/56/14/365955614.db2.gz VDYOJLRGMOBXCV-NSHDSACASA-N 1 2 249.318 0.399 20 0 BCADLO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594711123 348104324 /nfs/dbraw/zinc/10/43/24/348104324.db2.gz NJZAVTUNGKDJBH-VWYCJHECSA-N 1 2 245.319 0.579 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373744153 187386813 /nfs/dbraw/zinc/38/68/13/187386813.db2.gz CTMLOMWGQGHLQM-VIFPVBQESA-N 1 2 237.303 0.333 20 0 BCADLO CCCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000594648709 348087959 /nfs/dbraw/zinc/08/79/59/348087959.db2.gz BLQKPCSWSWIZHG-VIFPVBQESA-N 1 2 226.280 0.121 20 0 BCADLO CCOC(=O)[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000594649070 348088287 /nfs/dbraw/zinc/08/82/87/348088287.db2.gz AZUIFOIXHSERFS-VIFPVBQESA-N 1 2 249.274 0.647 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(C(C)(C)C)nn1 ZINC000594654301 348091725 /nfs/dbraw/zinc/09/17/25/348091725.db2.gz VRRAYMPAKMZMLJ-MRVPVSSYSA-N 1 2 226.280 0.076 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000594927074 348138543 /nfs/dbraw/zinc/13/85/43/348138543.db2.gz UBTYTJABWVAGHX-SZEHBUNVSA-N 1 2 223.276 0.697 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373744152 187387240 /nfs/dbraw/zinc/38/72/40/187387240.db2.gz CTMLOMWGQGHLQM-SECBINFHSA-N 1 2 237.303 0.333 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[NH+]1CCCCC1 ZINC000595289461 348213479 /nfs/dbraw/zinc/21/34/79/348213479.db2.gz FTFFXUVRDUSHMW-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO COC[C@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000595312520 348223649 /nfs/dbraw/zinc/22/36/49/348223649.db2.gz ZJNXLRRRHQOKNJ-QMMMGPOBSA-N 1 2 219.281 0.189 20 0 BCADLO COC[C@H](C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C)OC ZINC000595323555 348226602 /nfs/dbraw/zinc/22/66/02/348226602.db2.gz ZHJZOJWKOSIBPO-BBKSZCTCSA-N 1 2 249.376 0.489 20 0 BCADLO COC[C@H](C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C)OC ZINC000595323555 348226604 /nfs/dbraw/zinc/22/66/04/348226604.db2.gz ZHJZOJWKOSIBPO-BBKSZCTCSA-N 1 2 249.376 0.489 20 0 BCADLO CC[C@@H](C(=O)OC)N1CCn2c[nH+]cc2C1 ZINC000595493246 348262114 /nfs/dbraw/zinc/26/21/14/348262114.db2.gz FEWLYCOLXXHUNJ-JTQLQIEISA-N 1 2 223.276 0.650 20 0 BCADLO COC[C@@H](C[NH2+][C@](C)(C(=O)OC)C1CC1)OC ZINC000595405639 348239942 /nfs/dbraw/zinc/23/99/42/348239942.db2.gz ALQDRUFMPNSGKX-PWSUYJOCSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC2CC=CC2)CCOC1 ZINC000595408842 348240679 /nfs/dbraw/zinc/24/06/79/348240679.db2.gz UIKWPGQMISKWRJ-GFCCVEGCSA-N 1 2 225.288 0.874 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000595388819 348243174 /nfs/dbraw/zinc/24/31/74/348243174.db2.gz XILDPVXEBFKRFX-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000595388819 348243176 /nfs/dbraw/zinc/24/31/76/348243176.db2.gz XILDPVXEBFKRFX-SNVBAGLBSA-N 1 2 238.291 0.375 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](COC)OC ZINC000595375293 348232856 /nfs/dbraw/zinc/23/28/56/348232856.db2.gz RJTHSXRUQKNGRN-VHSXEESVSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](COC)OC ZINC000595375293 348232860 /nfs/dbraw/zinc/23/28/60/348232860.db2.gz RJTHSXRUQKNGRN-VHSXEESVSA-N 1 2 233.308 0.531 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@@H](C)C(=O)OC(C)C)OC ZINC000595348797 348237134 /nfs/dbraw/zinc/23/71/34/348237134.db2.gz UYJXXLWIVGJUJQ-WDEREUQCSA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)OC ZINC000595348797 348237138 /nfs/dbraw/zinc/23/71/38/348237138.db2.gz UYJXXLWIVGJUJQ-WDEREUQCSA-N 1 2 247.335 0.920 20 0 BCADLO COC[C@H](C[NH2+]C1(C(=O)OC)CCCC1)OC ZINC000595394084 348237593 /nfs/dbraw/zinc/23/75/93/348237593.db2.gz VTSLZNKCJASUOS-JTQLQIEISA-N 1 2 245.319 0.723 20 0 BCADLO CC/C=C\CC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595532493 348274891 /nfs/dbraw/zinc/27/48/91/348274891.db2.gz SDYGJLRPQKDGBC-GZTOBOFZSA-N 1 2 215.293 0.856 20 0 BCADLO COC(=O)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000595590666 348277486 /nfs/dbraw/zinc/27/74/86/348277486.db2.gz ALLFFUFECJAPMB-LBPRGKRZSA-N 1 2 237.299 0.695 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000595590666 348277489 /nfs/dbraw/zinc/27/74/89/348277489.db2.gz ALLFFUFECJAPMB-LBPRGKRZSA-N 1 2 237.299 0.695 20 0 BCADLO COC(=O)[C@@H](C1CC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595591477 348277637 /nfs/dbraw/zinc/27/76/37/348277637.db2.gz IKJQAFDCHHJOCB-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@@H](C1CC1)N(C)Cc1c[nH]c[nH+]1 ZINC000595591477 348277638 /nfs/dbraw/zinc/27/76/38/348277638.db2.gz IKJQAFDCHHJOCB-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO COCCOCC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595674942 348310267 /nfs/dbraw/zinc/31/02/67/348310267.db2.gz OTXZVWLEMUAXEY-UHFFFAOYSA-N 1 2 243.303 0.287 20 0 BCADLO COCCOCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595674942 348310269 /nfs/dbraw/zinc/31/02/69/348310269.db2.gz OTXZVWLEMUAXEY-UHFFFAOYSA-N 1 2 243.303 0.287 20 0 BCADLO CCN1CC[C@@H](Nc2cc[nH+]c(C)n2)C1=O ZINC000309440046 490161613 /nfs/dbraw/zinc/16/16/13/490161613.db2.gz IHQVFLXUMYNOCB-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680041 348325866 /nfs/dbraw/zinc/32/58/66/348325866.db2.gz NVMGJUTXHUUJRG-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680041 348325869 /nfs/dbraw/zinc/32/58/69/348325869.db2.gz NVMGJUTXHUUJRG-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680110 348326295 /nfs/dbraw/zinc/32/62/95/348326295.db2.gz FWDIBVOXGNKLJU-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680110 348326298 /nfs/dbraw/zinc/32/62/98/348326298.db2.gz FWDIBVOXGNKLJU-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680109 348326569 /nfs/dbraw/zinc/32/65/69/348326569.db2.gz FWDIBVOXGNKLJU-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680109 348326573 /nfs/dbraw/zinc/32/65/73/348326573.db2.gz FWDIBVOXGNKLJU-RQJHMYQMSA-N 1 2 213.199 0.630 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCn1cncn1 ZINC000595769401 348335753 /nfs/dbraw/zinc/33/57/53/348335753.db2.gz LQZKIJSRAUUBPC-SNVBAGLBSA-N 1 2 244.270 0.159 20 0 BCADLO COCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770545 348335881 /nfs/dbraw/zinc/33/58/81/348335881.db2.gz ABRMGDGZBVZKEV-SECBINFHSA-N 1 2 207.245 0.514 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](C)OC ZINC000595774816 348337936 /nfs/dbraw/zinc/33/79/36/348337936.db2.gz JQNBDYZZNFMMSO-SCZZXKLOSA-N 1 2 221.272 0.902 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595777775 348338743 /nfs/dbraw/zinc/33/87/43/348338743.db2.gz JRCOPZXIKVQAES-IVZWLZJFSA-N 1 2 227.304 0.831 20 0 BCADLO COC(=O)CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595776529 348338783 /nfs/dbraw/zinc/33/87/83/348338783.db2.gz XWVRNZUVSZHGCW-JTQLQIEISA-N 1 2 235.255 0.430 20 0 BCADLO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)OC ZINC000595785025 348345750 /nfs/dbraw/zinc/34/57/50/348345750.db2.gz VQNPCICQWNWTMB-LPEHRKFASA-N 1 2 227.304 0.831 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000595785693 348346095 /nfs/dbraw/zinc/34/60/95/348346095.db2.gz YFOGHECMPVRTPZ-GARJFASQSA-N 1 2 239.315 0.831 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000595785696 348346145 /nfs/dbraw/zinc/34/61/45/348346145.db2.gz YFOGHECMPVRTPZ-GMTAPVOTSA-N 1 2 239.315 0.831 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCn1cccn1 ZINC000595859868 348382048 /nfs/dbraw/zinc/38/20/48/348382048.db2.gz IDJWKPDSCBHQMN-UHFFFAOYSA-N 1 2 249.314 0.911 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CCn1cccn1 ZINC000595859868 348382050 /nfs/dbraw/zinc/38/20/50/348382050.db2.gz IDJWKPDSCBHQMN-UHFFFAOYSA-N 1 2 249.314 0.911 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCC(=O)OC ZINC000595860732 348382601 /nfs/dbraw/zinc/38/26/01/348382601.db2.gz KHXYHHPQOFMVKY-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CCC(=O)OC ZINC000595860732 348382604 /nfs/dbraw/zinc/38/26/04/348382604.db2.gz KHXYHHPQOFMVKY-UHFFFAOYSA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC000595849514 348355830 /nfs/dbraw/zinc/35/58/30/348355830.db2.gz MTWZROKMTVSPHW-WAAGHKOSSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC000595849514 348355832 /nfs/dbraw/zinc/35/58/32/348355832.db2.gz MTWZROKMTVSPHW-WAAGHKOSSA-N 1 2 238.291 0.199 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595849320 348356275 /nfs/dbraw/zinc/35/62/75/348356275.db2.gz CZILNNDIFRLJEI-DTORHVGOSA-N 1 2 229.276 0.433 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595849320 348356277 /nfs/dbraw/zinc/35/62/77/348356277.db2.gz CZILNNDIFRLJEI-DTORHVGOSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc(C)no2)C1 ZINC000595853745 348357122 /nfs/dbraw/zinc/35/71/22/348357122.db2.gz XRHZCTZITFADHB-DTORHVGOSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C)no2)C1 ZINC000595853745 348357123 /nfs/dbraw/zinc/35/71/23/348357123.db2.gz XRHZCTZITFADHB-DTORHVGOSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC[C@H](C)O)c1 ZINC000596056167 348434612 /nfs/dbraw/zinc/43/46/12/348434612.db2.gz SJTJYRACOAJWER-QMMMGPOBSA-N 1 2 224.260 0.590 20 0 BCADLO CCc1noc(C[N@H+](CC)CCCO)n1 ZINC000128494239 348571055 /nfs/dbraw/zinc/57/10/55/348571055.db2.gz HHMAQNBBLIOUJU-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1noc(C[N@@H+](CC)CCCO)n1 ZINC000128494239 348571056 /nfs/dbraw/zinc/57/10/56/348571056.db2.gz HHMAQNBBLIOUJU-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597996268 348854027 /nfs/dbraw/zinc/85/40/27/348854027.db2.gz IEIMNZLXVDFQKN-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597996268 348854028 /nfs/dbraw/zinc/85/40/28/348854028.db2.gz IEIMNZLXVDFQKN-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CC[S@@](=O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000598738451 349036286 /nfs/dbraw/zinc/03/62/86/349036286.db2.gz KUEYYKCYZFQOLZ-MRXNPFEDSA-N 1 2 243.332 0.530 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCC2COC2)c1 ZINC000599179200 349121462 /nfs/dbraw/zinc/12/14/62/349121462.db2.gz RVQJUTHPZIVZPX-UHFFFAOYSA-N 1 2 236.271 0.855 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@@H]2C[C@H]2C)CCOC1 ZINC000599340882 349152056 /nfs/dbraw/zinc/15/20/56/349152056.db2.gz AOHQXBPABGXZJF-YWVKMMECSA-N 1 2 213.277 0.564 20 0 BCADLO COCC[C@H](C)[N@H+](C)Cc1nnnn1C ZINC000341554762 538029902 /nfs/dbraw/zinc/02/99/02/538029902.db2.gz KNKOCEFAQKUJLH-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO COCC[C@H](C)[N@@H+](C)Cc1nnnn1C ZINC000341554762 538029908 /nfs/dbraw/zinc/02/99/08/538029908.db2.gz KNKOCEFAQKUJLH-QMMMGPOBSA-N 1 2 213.285 0.067 20 0 BCADLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531761 349210395 /nfs/dbraw/zinc/21/03/95/349210395.db2.gz NYJTXWAQZHJKKM-GUBZILKMSA-N 1 2 245.319 0.144 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000599565500 349220118 /nfs/dbraw/zinc/22/01/18/349220118.db2.gz STZAVIFNVZYUGA-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000599565500 349220121 /nfs/dbraw/zinc/22/01/21/349220121.db2.gz STZAVIFNVZYUGA-LLVKDONJSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000599565501 349220275 /nfs/dbraw/zinc/22/02/75/349220275.db2.gz STZAVIFNVZYUGA-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000599565501 349220278 /nfs/dbraw/zinc/22/02/78/349220278.db2.gz STZAVIFNVZYUGA-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626225 349231069 /nfs/dbraw/zinc/23/10/69/349231069.db2.gz PSOJOCYIHFBVOB-HJGDQZAQSA-N 1 2 215.293 0.951 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626227 349231392 /nfs/dbraw/zinc/23/13/92/349231392.db2.gz PSOJOCYIHFBVOB-REIXXSIJSA-N 1 2 215.293 0.951 20 0 BCADLO COC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599647863 349233641 /nfs/dbraw/zinc/23/36/41/349233641.db2.gz CSQFESWKCGFFHZ-SECBINFHSA-N 1 2 247.335 0.704 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631928 349236994 /nfs/dbraw/zinc/23/69/94/349236994.db2.gz HYVPFHYXSHWKSA-PXTZTZFBSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631928 349236996 /nfs/dbraw/zinc/23/69/96/349236996.db2.gz HYVPFHYXSHWKSA-PXTZTZFBSA-N 1 2 245.344 0.533 20 0 BCADLO C[NH2+]C[C@H](C)CNc1nc(COC)ns1 ZINC000420185425 192171178 /nfs/dbraw/zinc/17/11/78/192171178.db2.gz BQYQOCYRTPEXGG-ZETCQYMHSA-N 1 2 230.337 0.374 20 0 BCADLO Cc1n[nH]c(C)c1CCC(=O)NCc1c[nH+]c[nH]1 ZINC000359116554 179819924 /nfs/dbraw/zinc/81/99/24/179819924.db2.gz KBTBOYRIWUUOAY-UHFFFAOYSA-N 1 2 247.302 0.999 20 0 BCADLO Cc1n[nH]c(C)c1CCC(=O)NCc1c[nH]c[nH+]1 ZINC000359116554 179819925 /nfs/dbraw/zinc/81/99/25/179819925.db2.gz KBTBOYRIWUUOAY-UHFFFAOYSA-N 1 2 247.302 0.999 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599693951 349246620 /nfs/dbraw/zinc/24/66/20/349246620.db2.gz PYYPPGDXWYIDKL-PWSUYJOCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@](C)(COC)C1 ZINC000599693951 349246623 /nfs/dbraw/zinc/24/66/23/349246623.db2.gz PYYPPGDXWYIDKL-PWSUYJOCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000599705718 349249352 /nfs/dbraw/zinc/24/93/52/349249352.db2.gz ZOMBJWUQISYKPC-NSHDSACASA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000599705718 349249354 /nfs/dbraw/zinc/24/93/54/349249354.db2.gz ZOMBJWUQISYKPC-NSHDSACASA-N 1 2 242.319 0.540 20 0 BCADLO COC(=O)C[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000599703465 349249603 /nfs/dbraw/zinc/24/96/03/349249603.db2.gz BICZZNRKBLLVOH-IUCAKERBSA-N 1 2 243.303 0.821 20 0 BCADLO CSCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601547797 349300638 /nfs/dbraw/zinc/30/06/38/349300638.db2.gz INOOLIJXRNCKAT-UHFFFAOYSA-N 1 2 228.321 0.914 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1ncc[nH]1 ZINC000309010809 349286512 /nfs/dbraw/zinc/28/65/12/349286512.db2.gz WWMONBCLAUELSK-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1ncc[nH]1 ZINC000309010809 349286515 /nfs/dbraw/zinc/28/65/15/349286515.db2.gz WWMONBCLAUELSK-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO Cc1[nH]c(C(=O)NCC(=O)OCC2CC2)c[nH+]1 ZINC000264810214 179883645 /nfs/dbraw/zinc/88/36/45/179883645.db2.gz ZUZUDSOMKYXWCF-UHFFFAOYSA-N 1 2 237.259 0.401 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCCCC[C@@H]2CCO)[nH]1 ZINC000342047955 538041986 /nfs/dbraw/zinc/04/19/86/538041986.db2.gz MWYTVSWHCJDNEN-SECBINFHSA-N 1 2 240.307 0.637 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCCCC[C@@H]2CCO)[nH]1 ZINC000342047955 538041992 /nfs/dbraw/zinc/04/19/92/538041992.db2.gz MWYTVSWHCJDNEN-SECBINFHSA-N 1 2 240.307 0.637 20 0 BCADLO Cc1nc(N2CC[C@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000301440907 179907066 /nfs/dbraw/zinc/90/70/66/179907066.db2.gz MUUKFFGLWWJMHK-JTQLQIEISA-N 1 2 234.303 0.713 20 0 BCADLO CCCN(CCC)C(=O)C[N@H+](C)CC(=O)NC ZINC000057641995 349423093 /nfs/dbraw/zinc/42/30/93/349423093.db2.gz OGWBZGQCDIWCQC-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO CCCN(CCC)C(=O)C[N@@H+](C)CC(=O)NC ZINC000057641995 349423094 /nfs/dbraw/zinc/42/30/94/349423094.db2.gz OGWBZGQCDIWCQC-UHFFFAOYSA-N 1 2 243.351 0.313 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCOC1)CC2 ZINC000626245524 349427681 /nfs/dbraw/zinc/42/76/81/349427681.db2.gz PSAWRITXOYSGJZ-QWRGUYRKSA-N 1 2 249.314 0.659 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCOC1)CC2 ZINC000626245525 349427817 /nfs/dbraw/zinc/42/78/17/349427817.db2.gz PSAWRITXOYSGJZ-WDEREUQCSA-N 1 2 249.314 0.659 20 0 BCADLO Cn1nnc(C[N@@H+]2CCCCC[C@@H]2CCO)n1 ZINC000342053401 538043786 /nfs/dbraw/zinc/04/37/86/538043786.db2.gz WVHKTFFIMZAKCG-SNVBAGLBSA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@H+]2CCCCC[C@@H]2CCO)n1 ZINC000342053401 538043794 /nfs/dbraw/zinc/04/37/94/538043794.db2.gz WVHKTFFIMZAKCG-SNVBAGLBSA-N 1 2 239.323 0.337 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2cnn[nH]2)n1C ZINC000602028857 349420700 /nfs/dbraw/zinc/42/07/00/349420700.db2.gz RFCOMRLPGGVZFU-UHFFFAOYSA-N 1 2 249.274 0.220 20 0 BCADLO CCOCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813554 350037606 /nfs/dbraw/zinc/03/76/06/350037606.db2.gz KNHCZLPEVKGOHM-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CC(C)[N@H+](CCO)Cc1csnn1 ZINC000128053635 191008689 /nfs/dbraw/zinc/00/86/89/191008689.db2.gz BHKXCYFVHGPLDS-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1csnn1 ZINC000128053635 191008692 /nfs/dbraw/zinc/00/86/92/191008692.db2.gz BHKXCYFVHGPLDS-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO COC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916462 350056309 /nfs/dbraw/zinc/05/63/09/350056309.db2.gz JIZQYJZXQQIQTD-UHFFFAOYSA-N 1 2 223.276 0.691 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)n[nH]1 ZINC000126819042 180010996 /nfs/dbraw/zinc/01/09/96/180010996.db2.gz NONCNGQJTSPPAD-SNVBAGLBSA-N 1 2 249.318 0.926 20 0 BCADLO Cc1nnc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[nH]1 ZINC000126819042 180011001 /nfs/dbraw/zinc/01/10/01/180011001.db2.gz NONCNGQJTSPPAD-SNVBAGLBSA-N 1 2 249.318 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245307 323245011 /nfs/dbraw/zinc/24/50/11/323245011.db2.gz NODVTLNSBMQCLD-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)(CO)CCNC(=O)CCn1cc[nH+]c1 ZINC000386199985 362949758 /nfs/dbraw/zinc/94/97/58/362949758.db2.gz CAUNDXKIKOBDHI-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO Cc1nc([C@@](C)([NH2+]C[C@H](C)O)C2CC2)no1 ZINC000309845636 180046527 /nfs/dbraw/zinc/04/65/27/180046527.db2.gz SWMRUWWMJXJJSE-CPCISQLKSA-N 1 2 225.292 0.974 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000367667855 180046549 /nfs/dbraw/zinc/04/65/49/180046549.db2.gz FOBNBWNRWRMQRL-IONNQARKSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000367667855 180046551 /nfs/dbraw/zinc/04/65/51/180046551.db2.gz FOBNBWNRWRMQRL-IONNQARKSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@H](CO)[C@H]2CCCO2)no1 ZINC000352358430 180050396 /nfs/dbraw/zinc/05/03/96/180050396.db2.gz UXONJADWESMIJN-FXBDTBDDSA-N 1 2 241.291 0.569 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC000375755892 180055553 /nfs/dbraw/zinc/05/55/53/180055553.db2.gz GQRABMUJRZAKEU-APPZFPTMSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC000375755892 180055554 /nfs/dbraw/zinc/05/55/54/180055554.db2.gz GQRABMUJRZAKEU-APPZFPTMSA-N 1 2 238.291 0.431 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CC(C)(C)C ZINC000349806499 538052679 /nfs/dbraw/zinc/05/26/79/538052679.db2.gz ZJDXEPCZOKMOSF-UHFFFAOYSA-N 1 2 245.348 0.886 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC(O)(C(F)F)C1 ZINC000425016109 191022748 /nfs/dbraw/zinc/02/27/48/191022748.db2.gz DZWOKSSZXYTWMG-UHFFFAOYSA-N 1 2 245.229 0.181 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000132518099 191033079 /nfs/dbraw/zinc/03/30/79/191033079.db2.gz BPNWBGGFWVBSIW-DTWKUNHWSA-N 1 2 228.292 0.183 20 0 BCADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC(N)=O ZINC000604525313 350141672 /nfs/dbraw/zinc/14/16/72/350141672.db2.gz MQKFKMABUWGCFV-UHFFFAOYSA-N 1 2 241.213 0.456 20 0 BCADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC(N)=O ZINC000604525313 350141676 /nfs/dbraw/zinc/14/16/76/350141676.db2.gz MQKFKMABUWGCFV-UHFFFAOYSA-N 1 2 241.213 0.456 20 0 BCADLO Cc1nc2ccc(NCCn3cc[nH+]c3)nn2n1 ZINC000286718175 180097115 /nfs/dbraw/zinc/09/71/15/180097115.db2.gz CZVKYBJTWMZBST-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO Cc1nc(NC[C@H](O)CO)c2c([nH+]1)CCCC2 ZINC000272847833 180070319 /nfs/dbraw/zinc/07/03/19/180070319.db2.gz JSEJTTAEYCZUBL-VIFPVBQESA-N 1 2 237.303 0.429 20 0 BCADLO Cc1nc(NCCSCCCO)nc(N)[nH+]1 ZINC000304408861 350156128 /nfs/dbraw/zinc/15/61/28/350156128.db2.gz BVSXHXGSFZYFNK-UHFFFAOYSA-N 1 2 243.336 0.290 20 0 BCADLO Cc1nc(N)nc(NCCSCCCO)[nH+]1 ZINC000304408861 350156131 /nfs/dbraw/zinc/15/61/31/350156131.db2.gz BVSXHXGSFZYFNK-UHFFFAOYSA-N 1 2 243.336 0.290 20 0 BCADLO Cc1[nH+]c2n(c1C)CCN(C[C@@H](C)O)C2 ZINC000369389496 180109914 /nfs/dbraw/zinc/10/99/14/180109914.db2.gz PPQXXVLWHNCARB-MRVPVSSYSA-N 1 2 209.293 0.696 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cncs1 ZINC000334152161 538058162 /nfs/dbraw/zinc/05/81/62/538058162.db2.gz MARCVLZSOIYZTP-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000271188070 180112372 /nfs/dbraw/zinc/11/23/72/180112372.db2.gz NWXCWKVGPTYDKV-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000271188070 180112374 /nfs/dbraw/zinc/11/23/74/180112374.db2.gz NWXCWKVGPTYDKV-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccn(C)c1)C2 ZINC000271155122 180113237 /nfs/dbraw/zinc/11/32/37/180113237.db2.gz BAFOMTGSCOQZIG-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1ccn(C)c1)C2 ZINC000271155122 180113239 /nfs/dbraw/zinc/11/32/39/180113239.db2.gz BAFOMTGSCOQZIG-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO OC[C@@]1(O)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000313635505 350163923 /nfs/dbraw/zinc/16/39/23/350163923.db2.gz LFUPWLFOGWXJFT-CYBMUJFWSA-N 1 2 247.298 0.887 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](C)C[C@@H](C)O)c[nH+]1 ZINC000333982448 180130035 /nfs/dbraw/zinc/13/00/35/180130035.db2.gz BKHDRLZUVLLWLI-JGVFFNPUSA-N 1 2 225.292 0.855 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](CO)C2CC2)c[nH+]1 ZINC000358329285 180130560 /nfs/dbraw/zinc/13/05/60/180130560.db2.gz ZLCWAZJVNXECBC-VIFPVBQESA-N 1 2 223.276 0.466 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(CCO)CC2)c[nH+]1 ZINC000331948365 180130585 /nfs/dbraw/zinc/13/05/85/180130585.db2.gz SVCQUTJSEGGPLK-UHFFFAOYSA-N 1 2 223.276 0.611 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000332249188 180143539 /nfs/dbraw/zinc/14/35/39/180143539.db2.gz XQBSSKZAVAMYNP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1ncc(C[NH+]2CCN(CCO)CC2)s1 ZINC000057590954 180142184 /nfs/dbraw/zinc/14/21/84/180142184.db2.gz KMKUHHYCMGWHDN-UHFFFAOYSA-N 1 2 241.360 0.561 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000332249188 180143541 /nfs/dbraw/zinc/14/35/41/180143541.db2.gz XQBSSKZAVAMYNP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCOC2 ZINC000342021586 180118404 /nfs/dbraw/zinc/11/84/04/180118404.db2.gz LNVVEFKIERIFTD-UHFFFAOYSA-N 1 2 235.287 0.510 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@H](O)C1 ZINC000339224567 180118884 /nfs/dbraw/zinc/11/88/84/180118884.db2.gz JCSHDFUUZLPRFA-BDAKNGLRSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CO ZINC000339349001 180120140 /nfs/dbraw/zinc/12/01/40/180120140.db2.gz MPTAZQPPJYBJTQ-VIFPVBQESA-N 1 2 223.276 0.244 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(CO)C(C)C ZINC000427364193 191060455 /nfs/dbraw/zinc/06/04/55/191060455.db2.gz DCIIXDMOHBBFFY-LBPRGKRZSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@](C)(CO)C(C)C ZINC000427364193 191060458 /nfs/dbraw/zinc/06/04/58/191060458.db2.gz DCIIXDMOHBBFFY-LBPRGKRZSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338627443 180145315 /nfs/dbraw/zinc/14/53/15/180145315.db2.gz WQSGHKOJNATKDY-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338627443 180145319 /nfs/dbraw/zinc/14/53/19/180145319.db2.gz WQSGHKOJNATKDY-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000329041683 180146342 /nfs/dbraw/zinc/14/63/42/180146342.db2.gz DPNJCULNSHSBQX-UHFFFAOYSA-N 1 2 230.275 0.392 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000329041683 180146345 /nfs/dbraw/zinc/14/63/45/180146345.db2.gz DPNJCULNSHSBQX-UHFFFAOYSA-N 1 2 230.275 0.392 20 0 BCADLO Cc1nc(N2C[C@H](F)C[C@H]2C(N)=O)cc[nH+]1 ZINC000284677545 180194049 /nfs/dbraw/zinc/19/40/49/180194049.db2.gz XRIJLRYSUWLJJE-SFYZADRCSA-N 1 2 224.239 0.187 20 0 BCADLO Cc1nc(N2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000266156457 180194134 /nfs/dbraw/zinc/19/41/34/180194134.db2.gz VGLAYCKOYXESFS-QMMMGPOBSA-N 1 2 206.249 0.097 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc[nH+]1 ZINC000364430976 180194954 /nfs/dbraw/zinc/19/49/54/180194954.db2.gz RRVJUWWKFLKDGN-UMNHJUIQSA-N 1 2 246.314 0.875 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000299891092 180195049 /nfs/dbraw/zinc/19/50/49/180195049.db2.gz GQSHIMHEMYPNQX-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@H](CO)[C@H]2C)cc[nH+]1 ZINC000362669666 180195126 /nfs/dbraw/zinc/19/51/26/180195126.db2.gz UULLPYYMAQETKB-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@@H](CC(N)=O)C2)cc[nH+]1 ZINC000377143100 180195151 /nfs/dbraw/zinc/19/51/51/180195151.db2.gz SRSSGXMKEWYZHP-VIFPVBQESA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000166036717 180195261 /nfs/dbraw/zinc/19/52/61/180195261.db2.gz UBWSFHAKBHJCBA-PSASIEDQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(NC[C@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000054936026 180200935 /nfs/dbraw/zinc/20/09/35/180200935.db2.gz OECBPANVMKYPQK-SECBINFHSA-N 1 2 241.316 0.632 20 0 BCADLO Cc1nc(N[C@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000164220241 180204839 /nfs/dbraw/zinc/20/48/39/180204839.db2.gz PONANIOHRVSNOC-UOWDBTKRSA-N 1 2 213.306 0.964 20 0 BCADLO CC(=O)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000427506981 191079038 /nfs/dbraw/zinc/07/90/38/191079038.db2.gz VCQPOIDSNZCDMS-UHFFFAOYSA-N 1 2 221.260 0.595 20 0 BCADLO Cc1nc(N[C@H](C)C(=O)NCCF)cc[nH+]1 ZINC000283601370 180205665 /nfs/dbraw/zinc/20/56/65/180205665.db2.gz SXFOGHKFNCKXPR-SSDOTTSWSA-N 1 2 226.255 0.671 20 0 BCADLO Cc1nc(N[C@H](CO)[C@H]2CCCO2)cc[nH+]1 ZINC000309864647 180206198 /nfs/dbraw/zinc/20/61/98/180206198.db2.gz NZLBPZWBVVHQDL-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000375628914 180183209 /nfs/dbraw/zinc/18/32/09/180183209.db2.gz OVNIEGLXWMOXBS-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccc(C[N@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000375628914 180183213 /nfs/dbraw/zinc/18/32/13/180183213.db2.gz OVNIEGLXWMOXBS-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000352890718 180183619 /nfs/dbraw/zinc/18/36/19/180183619.db2.gz YWYGPDUIQCEXRW-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000352890718 180183621 /nfs/dbraw/zinc/18/36/21/180183621.db2.gz YWYGPDUIQCEXRW-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)n1 ZINC000353132874 180185941 /nfs/dbraw/zinc/18/59/41/180185941.db2.gz DDMCMIWRIREWJM-JOYOIKCWSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)n1 ZINC000353132874 180185945 /nfs/dbraw/zinc/18/59/45/180185945.db2.gz DDMCMIWRIREWJM-JOYOIKCWSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1ncccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000085727765 180225653 /nfs/dbraw/zinc/22/56/53/180225653.db2.gz GRWLYMTZWXOSMM-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO CCn1cnnc1CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000605180314 350264188 /nfs/dbraw/zinc/26/41/88/350264188.db2.gz CQHVWHQOKFLIAO-UHFFFAOYSA-N 1 2 248.290 0.302 20 0 BCADLO Cc1nsc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000083648697 350268083 /nfs/dbraw/zinc/26/80/83/350268083.db2.gz OHMUPPJXVRDTEM-VIFPVBQESA-N 1 2 241.364 0.504 20 0 BCADLO Cc1nsc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000083648697 350268087 /nfs/dbraw/zinc/26/80/87/350268087.db2.gz OHMUPPJXVRDTEM-VIFPVBQESA-N 1 2 241.364 0.504 20 0 BCADLO CC[C@@H](C)NC(=O)CC[NH2+]Cc1csnn1 ZINC000038014073 350298519 /nfs/dbraw/zinc/29/85/19/350298519.db2.gz OLFMLWRVLJUXQR-MRVPVSSYSA-N 1 2 242.348 0.933 20 0 BCADLO Cc1nccnc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000290636409 180278978 /nfs/dbraw/zinc/27/89/78/180278978.db2.gz NFDVDDWJNTXJGD-NSHDSACASA-N 1 2 249.362 0.833 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225426798 350362350 /nfs/dbraw/zinc/36/23/50/350362350.db2.gz NVMGJUTXHUUJRG-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225426798 350362351 /nfs/dbraw/zinc/36/23/51/350362351.db2.gz NVMGJUTXHUUJRG-NKWVEPMBSA-N 1 2 213.199 0.630 20 0 BCADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000178304242 180316317 /nfs/dbraw/zinc/31/63/17/180316317.db2.gz YUUAWWSFMJKQOT-QMMMGPOBSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncsc1C[N@H+](C)[C@H]1CCNC1=O ZINC000178304242 180316320 /nfs/dbraw/zinc/31/63/20/180316320.db2.gz YUUAWWSFMJKQOT-QMMMGPOBSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000172533307 180309791 /nfs/dbraw/zinc/30/97/91/180309791.db2.gz CVRYKKWOUJHOPO-SECBINFHSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1ncsc1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000172533307 180309793 /nfs/dbraw/zinc/30/97/93/180309793.db2.gz CVRYKKWOUJHOPO-SECBINFHSA-N 1 2 239.344 0.814 20 0 BCADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)C(N)=O ZINC000606580749 350374030 /nfs/dbraw/zinc/37/40/30/350374030.db2.gz CQKOHWCVFVFAOI-ZETCQYMHSA-N 1 2 247.258 0.330 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2COc3ccccc3C2)n1 ZINC000328133825 350375612 /nfs/dbraw/zinc/37/56/12/350375612.db2.gz OTKOLCZRRUMGRD-LLVKDONJSA-N 1 2 244.298 0.908 20 0 BCADLO Cc1cc(CNC(=O)NCCn2cc[nH+]c2)[nH]n1 ZINC000606611453 350391122 /nfs/dbraw/zinc/39/11/22/350391122.db2.gz GDAUKGPCZQXNPG-UHFFFAOYSA-N 1 2 248.290 0.414 20 0 BCADLO Cc1cc(CNC(=O)NCCn2cc[nH+]c2)n[nH]1 ZINC000606611453 350391123 /nfs/dbraw/zinc/39/11/23/350391123.db2.gz GDAUKGPCZQXNPG-UHFFFAOYSA-N 1 2 248.290 0.414 20 0 BCADLO C[C@@H](NC(=O)NC1(C)COC1)c1[nH+]ccn1C ZINC000637289628 350404145 /nfs/dbraw/zinc/40/41/45/350404145.db2.gz MRHFNVZIOHAWJK-MRVPVSSYSA-N 1 2 238.291 0.569 20 0 BCADLO CC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000336645116 350415075 /nfs/dbraw/zinc/41/50/75/350415075.db2.gz HRCUGFZDFKYUNT-UHFFFAOYSA-N 1 2 209.297 0.251 20 0 BCADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C)CC1 ZINC000112143077 180337473 /nfs/dbraw/zinc/33/74/73/180337473.db2.gz KUZLGLQNVCHLTL-UHFFFAOYSA-N 1 2 222.336 0.784 20 0 BCADLO Cc1nn(C)cc1C(=O)NCCn1cc[nH+]c1 ZINC000354165565 180369158 /nfs/dbraw/zinc/36/91/58/180369158.db2.gz UFJJSIXTCUFPEF-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000271219472 180372049 /nfs/dbraw/zinc/37/20/49/180372049.db2.gz YHGPPDNQESOYBW-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000271219472 180372050 /nfs/dbraw/zinc/37/20/50/180372050.db2.gz YHGPPDNQESOYBW-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nsc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000309385490 323365396 /nfs/dbraw/zinc/36/53/96/323365396.db2.gz DZUJVVNSMIHQDA-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nsc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000309385490 323365399 /nfs/dbraw/zinc/36/53/99/323365399.db2.gz DZUJVVNSMIHQDA-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2ncccc2O)CC[N@H+]1C ZINC000428025970 191109268 /nfs/dbraw/zinc/10/92/68/191109268.db2.gz WUTIVWWTOKHRFT-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2ncccc2O)CC[N@@H+]1C ZINC000428025970 191109271 /nfs/dbraw/zinc/10/92/71/191109271.db2.gz WUTIVWWTOKHRFT-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](F)C1 ZINC000637441701 350582685 /nfs/dbraw/zinc/58/26/85/350582685.db2.gz NHDBVSXUNYQNFQ-UWVGGRQHSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](F)C1 ZINC000637441701 350582689 /nfs/dbraw/zinc/58/26/89/350582689.db2.gz NHDBVSXUNYQNFQ-UWVGGRQHSA-N 1 2 245.298 0.070 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc2nccnc2n1 ZINC000388396570 350583410 /nfs/dbraw/zinc/58/34/10/350583410.db2.gz IXNWGHTVFUQMRA-UHFFFAOYSA-N 1 2 240.270 0.744 20 0 BCADLO CC[C@@H](C)N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444536 350586081 /nfs/dbraw/zinc/58/60/81/350586081.db2.gz BJYDXZVMAFWACY-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO CC[C@@H](C)N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444536 350586083 /nfs/dbraw/zinc/58/60/83/350586083.db2.gz BJYDXZVMAFWACY-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO C[C@@H]1CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445908 350587187 /nfs/dbraw/zinc/58/71/87/350587187.db2.gz NDWGDKYKWHSKGZ-ZJUUUORDSA-N 1 2 227.308 0.121 20 0 BCADLO C[C@@H]1CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445908 350587191 /nfs/dbraw/zinc/58/71/91/350587191.db2.gz NDWGDKYKWHSKGZ-ZJUUUORDSA-N 1 2 227.308 0.121 20 0 BCADLO CN(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000265175691 350595975 /nfs/dbraw/zinc/59/59/75/350595975.db2.gz WWKCTSVHEKJTHW-UHFFFAOYSA-N 1 2 208.265 0.724 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCOC1 ZINC000606832464 350616239 /nfs/dbraw/zinc/61/62/39/350616239.db2.gz LNADKOJJORBTJD-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2C)CCS1 ZINC000177120790 365980838 /nfs/dbraw/zinc/98/08/38/365980838.db2.gz VFTDMMABKGDFSS-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CCS1 ZINC000177120790 365980843 /nfs/dbraw/zinc/98/08/43/365980843.db2.gz VFTDMMABKGDFSS-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C/C=C\CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000637486332 350648900 /nfs/dbraw/zinc/64/89/00/350648900.db2.gz HYYWBSFZXYMZRP-ARJAWSKDSA-N 1 2 241.335 0.536 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000157655476 191116651 /nfs/dbraw/zinc/11/66/51/191116651.db2.gz YQGUYXBPTQSHKN-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000157655476 191116654 /nfs/dbraw/zinc/11/66/54/191116654.db2.gz YQGUYXBPTQSHKN-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCc1cc(-n2cc[nH+]c2)n2ncnc2n1 ZINC000051376982 350631045 /nfs/dbraw/zinc/63/10/45/350631045.db2.gz IQXZSNSTFQYJLN-UHFFFAOYSA-N 1 2 214.232 0.872 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CCn2cnnc2C1 ZINC000087538832 535149769 /nfs/dbraw/zinc/14/97/69/535149769.db2.gz IEHAOEJOEZUZLV-SECBINFHSA-N 1 2 210.281 0.111 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CCn2cnnc2C1 ZINC000087538832 535149772 /nfs/dbraw/zinc/14/97/72/535149772.db2.gz IEHAOEJOEZUZLV-SECBINFHSA-N 1 2 210.281 0.111 20 0 BCADLO O=C(C[N@@H+]1CCc2sccc2C1)NCCO ZINC000035649768 358457550 /nfs/dbraw/zinc/45/75/50/358457550.db2.gz UCEDDIAILOAORU-UHFFFAOYSA-N 1 2 240.328 0.215 20 0 BCADLO O=C(C[N@H+]1CCc2sccc2C1)NCCO ZINC000035649768 358457553 /nfs/dbraw/zinc/45/75/53/358457553.db2.gz UCEDDIAILOAORU-UHFFFAOYSA-N 1 2 240.328 0.215 20 0 BCADLO COC(=O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563236475 350715491 /nfs/dbraw/zinc/71/54/91/350715491.db2.gz SBZLZGKWHAHFTB-VIFPVBQESA-N 1 2 239.275 0.514 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000385078790 350762196 /nfs/dbraw/zinc/76/21/96/350762196.db2.gz FVHCECYHQZQRNH-ZJUUUORDSA-N 1 2 223.276 0.255 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)C1CCC1 ZINC000617312090 350720816 /nfs/dbraw/zinc/72/08/16/350720816.db2.gz RHAAYXORSRPGBH-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](CO)C1CCC1 ZINC000617311608 350721134 /nfs/dbraw/zinc/72/11/34/350721134.db2.gz IBPFTOACTZFJAJ-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000051736219 350815369 /nfs/dbraw/zinc/81/53/69/350815369.db2.gz IKFNBPLNTOLYFU-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000051736219 350815374 /nfs/dbraw/zinc/81/53/74/350815374.db2.gz IKFNBPLNTOLYFU-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)[C@@H](C)CO ZINC000339627556 350769612 /nfs/dbraw/zinc/76/96/12/350769612.db2.gz DQJLCZWJXWOTNO-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)[C@@H](C)CO ZINC000339627556 350769614 /nfs/dbraw/zinc/76/96/14/350769614.db2.gz DQJLCZWJXWOTNO-VIFPVBQESA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@H+](Cc1noc(COC)n1)[C@@H](C)CO ZINC000339633140 350770255 /nfs/dbraw/zinc/77/02/55/350770255.db2.gz LAZIWCOVKGHHMZ-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@@H+](Cc1noc(COC)n1)[C@@H](C)CO ZINC000339633140 350770259 /nfs/dbraw/zinc/77/02/59/350770259.db2.gz LAZIWCOVKGHHMZ-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1nc(COC)no1)[C@H](C)CO ZINC000339634131 350770710 /nfs/dbraw/zinc/77/07/10/350770710.db2.gz MCMYFDUCDMSVTD-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@@H+](Cc1nc(COC)no1)[C@H](C)CO ZINC000339634131 350770712 /nfs/dbraw/zinc/77/07/12/350770712.db2.gz MCMYFDUCDMSVTD-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H](O)c1c(F)cccc1F ZINC000051827622 350851790 /nfs/dbraw/zinc/85/17/90/350851790.db2.gz DJIZIECTMZVWKJ-VIFPVBQESA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H](O)c1c(F)cccc1F ZINC000051827622 350851794 /nfs/dbraw/zinc/85/17/94/350851794.db2.gz DJIZIECTMZVWKJ-VIFPVBQESA-N 1 2 244.241 0.415 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1ccc(F)cc1F ZINC000051827597 350851985 /nfs/dbraw/zinc/85/19/85/350851985.db2.gz UTYIUZXBIJIEHT-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1ccc(F)cc1F ZINC000051827597 350851988 /nfs/dbraw/zinc/85/19/88/350851988.db2.gz UTYIUZXBIJIEHT-SNVBAGLBSA-N 1 2 244.241 0.415 20 0 BCADLO COCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575751386 350916536 /nfs/dbraw/zinc/91/65/36/350916536.db2.gz CTBSEOQGFVKDGB-SNVBAGLBSA-N 1 2 225.292 0.939 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086759572 350929143 /nfs/dbraw/zinc/92/91/43/350929143.db2.gz XOYWUIOHEHNDEH-RKDXNWHRSA-N 1 2 223.276 0.793 20 0 BCADLO C[NH+](CC(=O)Nc1ccon1)C[C@H]1CCCO1 ZINC000052102341 350929603 /nfs/dbraw/zinc/92/96/03/350929603.db2.gz JUNKVKRZFCWLAY-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO CC(C)[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000300943976 191128989 /nfs/dbraw/zinc/12/89/89/191128989.db2.gz YHHDBUXHIPKJRE-SECBINFHSA-N 1 2 205.323 0.068 20 0 BCADLO CCOC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000389904545 351051911 /nfs/dbraw/zinc/05/19/11/351051911.db2.gz GDZWOEUXCOYUKI-UHFFFAOYSA-N 1 2 215.293 0.834 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616639820 351145474 /nfs/dbraw/zinc/14/54/74/351145474.db2.gz OJYSKLRTNDEVKZ-VIFPVBQESA-N 1 2 230.308 0.842 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616639820 351145476 /nfs/dbraw/zinc/14/54/76/351145476.db2.gz OJYSKLRTNDEVKZ-VIFPVBQESA-N 1 2 230.308 0.842 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)CCNC(C)=O ZINC000571639312 351166201 /nfs/dbraw/zinc/16/62/01/351166201.db2.gz UTQMMZLAWNSZOX-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)CCNC(C)=O ZINC000571639312 351166203 /nfs/dbraw/zinc/16/62/03/351166203.db2.gz UTQMMZLAWNSZOX-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO COC1(C[NH2+]Cc2cn[nH]n2)CCCC1 ZINC000398397748 351130811 /nfs/dbraw/zinc/13/08/11/351130811.db2.gz LVAGPGAKHYINOZ-UHFFFAOYSA-N 1 2 210.281 0.854 20 0 BCADLO OCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC000616639071 351141727 /nfs/dbraw/zinc/14/17/27/351141727.db2.gz JILPTWZOKWPJGQ-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC000616639071 351141734 /nfs/dbraw/zinc/14/17/34/351141734.db2.gz JILPTWZOKWPJGQ-LLVKDONJSA-N 1 2 208.261 0.447 20 0 BCADLO CO[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000313292497 351321780 /nfs/dbraw/zinc/32/17/80/351321780.db2.gz HURPRFFFUYXTJB-MRVPVSSYSA-N 1 2 211.265 0.114 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628337330 351280214 /nfs/dbraw/zinc/28/02/14/351280214.db2.gz CNIBREOXVYVOQA-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628337330 351280218 /nfs/dbraw/zinc/28/02/18/351280218.db2.gz CNIBREOXVYVOQA-GFCCVEGCSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628337331 351280267 /nfs/dbraw/zinc/28/02/67/351280267.db2.gz CNIBREOXVYVOQA-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628337331 351280273 /nfs/dbraw/zinc/28/02/73/351280273.db2.gz CNIBREOXVYVOQA-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccn1 ZINC000088094462 351597437 /nfs/dbraw/zinc/59/74/37/351597437.db2.gz BGNVQZZAOVSGFD-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccn1 ZINC000088094462 351597440 /nfs/dbraw/zinc/59/74/40/351597440.db2.gz BGNVQZZAOVSGFD-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1occc1C ZINC000276545860 351630938 /nfs/dbraw/zinc/63/09/38/351630938.db2.gz FQNUOACJQRRFAZ-VHSXEESVSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1occc1C ZINC000276545860 351630939 /nfs/dbraw/zinc/63/09/39/351630939.db2.gz FQNUOACJQRRFAZ-VHSXEESVSA-N 1 2 239.271 0.696 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccns1 ZINC000637864450 351725061 /nfs/dbraw/zinc/72/50/61/351725061.db2.gz MGEKLNAUCLNLSH-UHFFFAOYSA-N 1 2 213.306 0.663 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccns1 ZINC000637864450 351725064 /nfs/dbraw/zinc/72/50/64/351725064.db2.gz MGEKLNAUCLNLSH-UHFFFAOYSA-N 1 2 213.306 0.663 20 0 BCADLO Cn1cc(C[NH+]2CC(n3ccnn3)C2)cn1 ZINC000374841407 180642464 /nfs/dbraw/zinc/64/24/64/180642464.db2.gz YZFMTTWWUWWGIY-UHFFFAOYSA-N 1 2 218.264 0.069 20 0 BCADLO CCCN(CC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637907914 351780978 /nfs/dbraw/zinc/78/09/78/351780978.db2.gz VXNNYEXNTJWBOW-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000637892842 351762293 /nfs/dbraw/zinc/76/22/93/351762293.db2.gz OYLHBWQHMVBXBG-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000637892842 351762297 /nfs/dbraw/zinc/76/22/97/351762297.db2.gz OYLHBWQHMVBXBG-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCCn1nccc1C[N@H+](C)CC(=O)NC ZINC000668788717 487535704 /nfs/dbraw/zinc/53/57/04/487535704.db2.gz KWDZMQHLIRKFGM-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCCn1nccc1C[N@@H+](C)CC(=O)NC ZINC000668788717 487535710 /nfs/dbraw/zinc/53/57/10/487535710.db2.gz KWDZMQHLIRKFGM-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CO[C@@](C)(C[N@@H+]1CCn2cnnc2C1)C1CC1 ZINC000638048747 351928895 /nfs/dbraw/zinc/92/88/95/351928895.db2.gz GFMXLNRCQBTRRZ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@](C)(C[N@H+]1CCn2cnnc2C1)C1CC1 ZINC000638048747 351928898 /nfs/dbraw/zinc/92/88/98/351928898.db2.gz GFMXLNRCQBTRRZ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CC[N@H+](Cc1cncc(F)c1)[C@H]1CCNC1=O ZINC000282459194 351933456 /nfs/dbraw/zinc/93/34/56/351933456.db2.gz TUBOAWNFAOAIBX-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1cncc(F)c1)[C@H]1CCNC1=O ZINC000282459194 351933459 /nfs/dbraw/zinc/93/34/59/351933459.db2.gz TUBOAWNFAOAIBX-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCc1cccnc1 ZINC000282483106 351934578 /nfs/dbraw/zinc/93/45/78/351934578.db2.gz HGTPPLMTEBUNAF-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCc1cccnc1 ZINC000282483106 351934581 /nfs/dbraw/zinc/93/45/81/351934581.db2.gz HGTPPLMTEBUNAF-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CC[N@H+](Cc1cccc(OC)n1)[C@@H]1CCNC1=O ZINC000282508203 351934693 /nfs/dbraw/zinc/93/46/93/351934693.db2.gz XFEUQLKOPABTPV-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cccc(OC)n1)[C@@H]1CCNC1=O ZINC000282508203 351934696 /nfs/dbraw/zinc/93/46/96/351934696.db2.gz XFEUQLKOPABTPV-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000282692185 351940663 /nfs/dbraw/zinc/94/06/63/351940663.db2.gz KJLYDKGSUVGMHI-GFCCVEGCSA-N 1 2 248.326 0.930 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1C[C@@H](O)c1ccccc1 ZINC000282692185 351940665 /nfs/dbraw/zinc/94/06/65/351940665.db2.gz KJLYDKGSUVGMHI-GFCCVEGCSA-N 1 2 248.326 0.930 20 0 BCADLO CC(C)c1nc(N(C)[C@@H]2CCNC2=O)cc[nH+]1 ZINC000340084077 351884305 /nfs/dbraw/zinc/88/43/05/351884305.db2.gz YPMQFXBRUUEUQB-SECBINFHSA-N 1 2 234.303 0.925 20 0 BCADLO CC[N@H+](Cc1cc[nH]n1)[C@H]1CCNC1=O ZINC000281844293 351912270 /nfs/dbraw/zinc/91/22/70/351912270.db2.gz TYOPODOJFQGYGF-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CC[N@@H+](Cc1cc[nH]n1)[C@H]1CCNC1=O ZINC000281844293 351912274 /nfs/dbraw/zinc/91/22/74/351912274.db2.gz TYOPODOJFQGYGF-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000283016360 351954401 /nfs/dbraw/zinc/95/44/01/351954401.db2.gz HKLBYVAGSXBZFU-ONEGZZNKSA-N 1 2 248.286 0.114 20 0 BCADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C)C(=O)C1 ZINC000638090189 351968454 /nfs/dbraw/zinc/96/84/54/351968454.db2.gz VKWOIEBIXHXEJS-LBPRGKRZSA-N 1 2 248.330 0.645 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638175938 352042429 /nfs/dbraw/zinc/04/24/29/352042429.db2.gz ACPVIAUBGWANQX-KWQFWETISA-N 1 2 236.319 0.375 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)sn1 ZINC000638184309 352052254 /nfs/dbraw/zinc/05/22/54/352052254.db2.gz SLDBHZYTHYESTF-SECBINFHSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)sn1 ZINC000638184309 352052256 /nfs/dbraw/zinc/05/22/56/352052256.db2.gz SLDBHZYTHYESTF-SECBINFHSA-N 1 2 225.317 0.772 20 0 BCADLO COC(=O)C1(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000613328319 363109196 /nfs/dbraw/zinc/10/91/96/363109196.db2.gz MGTDOVDENWYHAB-UHFFFAOYSA-N 1 2 249.270 0.179 20 0 BCADLO C[C@H](C(=O)N(C)C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638377866 352189289 /nfs/dbraw/zinc/18/92/89/352189289.db2.gz NSPUOFVSJOZAEK-SECBINFHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cncc(O)c2)[C@@H](C)C1 ZINC000288397269 352147502 /nfs/dbraw/zinc/14/75/02/352147502.db2.gz LAUVTXHHRIGSLX-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cncc(O)c2)[C@@H](C)C1 ZINC000288397269 352147508 /nfs/dbraw/zinc/14/75/08/352147508.db2.gz LAUVTXHHRIGSLX-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](O)C1 ZINC000083995535 352207478 /nfs/dbraw/zinc/20/74/78/352207478.db2.gz PXEGKJHONHVQBY-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@H](O)C1 ZINC000083995535 352207481 /nfs/dbraw/zinc/20/74/81/352207481.db2.gz PXEGKJHONHVQBY-JTQLQIEISA-N 1 2 224.308 0.501 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366681005 352277834 /nfs/dbraw/zinc/27/78/34/352277834.db2.gz NXGXEQNJNIACIK-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366681005 352277837 /nfs/dbraw/zinc/27/78/37/352277837.db2.gz NXGXEQNJNIACIK-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO Cc1nc([C@H](C)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000411199355 191169504 /nfs/dbraw/zinc/16/95/04/191169504.db2.gz MZHYPVCLZGGYHQ-VIFPVBQESA-N 1 2 235.335 0.954 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COC(C)(C)C ZINC000158519082 180744029 /nfs/dbraw/zinc/74/40/29/180744029.db2.gz NIDYVWVGTDZBGI-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CCn1cnc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000613413804 363188866 /nfs/dbraw/zinc/18/88/66/363188866.db2.gz VKBPVJRVDMAKBN-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CC(C)(C)C ZINC000281722497 180747784 /nfs/dbraw/zinc/74/77/84/180747784.db2.gz BNZZKSCKVDRLTA-UHFFFAOYSA-N 1 2 245.348 0.886 20 0 BCADLO CCCCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299082800 352519617 /nfs/dbraw/zinc/51/96/17/352519617.db2.gz SLCNOYUBFFBUSE-JTQLQIEISA-N 1 2 245.348 0.991 20 0 BCADLO CCO[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000608010925 352605370 /nfs/dbraw/zinc/60/53/70/352605370.db2.gz DNJSLWKSVAKTMI-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](C(=O)NCc1ccc[nH]1)[NH+]1CCOCC1 ZINC000041573185 352616125 /nfs/dbraw/zinc/61/61/25/352616125.db2.gz DULMLDSFXAEPFB-JTQLQIEISA-N 1 2 237.303 0.352 20 0 BCADLO CCc1cc(NCCCS(N)(=O)=O)nc[nH+]1 ZINC000045084044 352563137 /nfs/dbraw/zinc/56/31/37/352563137.db2.gz SJPCCGOIFNZTRD-UHFFFAOYSA-N 1 2 244.320 0.130 20 0 BCADLO CN(C)c1ccc(NCc2ncnn2C)[nH+]c1 ZINC000638759183 352690976 /nfs/dbraw/zinc/69/09/76/352690976.db2.gz GPURDZODPOGJDQ-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO COC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411960762 191235068 /nfs/dbraw/zinc/23/50/68/191235068.db2.gz ZHSXDDWKBNKVII-KWQFWETISA-N 1 2 215.293 0.953 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)c1cnccn1)C2 ZINC000366664906 180774909 /nfs/dbraw/zinc/77/49/09/180774909.db2.gz PXOJNBKVJNJCEE-UHFFFAOYSA-N 1 2 243.270 0.409 20 0 BCADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nnn(C)n1 ZINC000412046883 191243077 /nfs/dbraw/zinc/24/30/77/191243077.db2.gz RUEUMBARXLLJJJ-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnn(C)n1 ZINC000412046883 191243080 /nfs/dbraw/zinc/24/30/80/191243080.db2.gz RUEUMBARXLLJJJ-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nnn(C)n1 ZINC000412046878 191243205 /nfs/dbraw/zinc/24/32/05/191243205.db2.gz RUEUMBARXLLJJJ-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnn(C)n1 ZINC000412046878 191243208 /nfs/dbraw/zinc/24/32/08/191243208.db2.gz RUEUMBARXLLJJJ-MRVPVSSYSA-N 1 2 209.297 0.831 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)C)CC(C)(C)O ZINC000304114310 352722407 /nfs/dbraw/zinc/72/24/07/352722407.db2.gz NSGCVPHYUAGTPY-UHFFFAOYSA-N 1 2 241.339 0.847 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)C)CC(C)(C)O ZINC000304114310 352722411 /nfs/dbraw/zinc/72/24/11/352722411.db2.gz NSGCVPHYUAGTPY-UHFFFAOYSA-N 1 2 241.339 0.847 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ncccc2O)[C@@H](C)C1 ZINC000341796165 352724999 /nfs/dbraw/zinc/72/49/99/352724999.db2.gz ICNFQHRHEYFVOG-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ncccc2O)[C@@H](C)C1 ZINC000341796165 352725002 /nfs/dbraw/zinc/72/50/02/352725002.db2.gz ICNFQHRHEYFVOG-JTQLQIEISA-N 1 2 249.314 0.953 20 0 BCADLO COc1cc[nH+]cc1NCc1ncnn1C ZINC000638787583 352743581 /nfs/dbraw/zinc/74/35/81/352743581.db2.gz SFUFDVNWJFSEMQ-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO C[N@H+](Cc1cn2ccccc2n1)[C@H]1CCNC1=O ZINC000334179408 352766102 /nfs/dbraw/zinc/76/61/02/352766102.db2.gz DIYIXWPGHVYQQM-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cn2ccccc2n1)[C@H]1CCNC1=O ZINC000334179408 352766104 /nfs/dbraw/zinc/76/61/04/352766104.db2.gz DIYIXWPGHVYQQM-NSHDSACASA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)S1 ZINC000334219971 352822068 /nfs/dbraw/zinc/82/20/68/352822068.db2.gz QYRFSSCJBVDSFH-OCAPTIKFSA-N 1 2 242.348 0.434 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)S1 ZINC000334219971 352822071 /nfs/dbraw/zinc/82/20/71/352822071.db2.gz QYRFSSCJBVDSFH-OCAPTIKFSA-N 1 2 242.348 0.434 20 0 BCADLO O=C(CO)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000334220230 352822615 /nfs/dbraw/zinc/82/26/15/352822615.db2.gz RDRKAOTUIQRUIE-UHFFFAOYSA-N 1 2 239.662 0.596 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)on1 ZINC000334191255 352781911 /nfs/dbraw/zinc/78/19/11/352781911.db2.gz IGYWWQSNAIEMKL-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)on1 ZINC000334191255 352781913 /nfs/dbraw/zinc/78/19/13/352781913.db2.gz IGYWWQSNAIEMKL-SNVBAGLBSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)on1 ZINC000334191024 352782035 /nfs/dbraw/zinc/78/20/35/352782035.db2.gz IGYWWQSNAIEMKL-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)on1 ZINC000334191024 352782038 /nfs/dbraw/zinc/78/20/38/352782038.db2.gz IGYWWQSNAIEMKL-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1c[nH+]c(CN(CCO)C(C)C)n1C ZINC000342810914 352862519 /nfs/dbraw/zinc/86/25/19/352862519.db2.gz YAXLXAREYPDADB-UHFFFAOYSA-N 1 2 211.309 0.931 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](O)C(C)(C)C2)n1C ZINC000342844769 352872624 /nfs/dbraw/zinc/87/26/24/352872624.db2.gz GXNLIXRKFIZLEC-SNVBAGLBSA-N 1 2 223.320 0.931 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334259963 352872666 /nfs/dbraw/zinc/87/26/66/352872666.db2.gz VHNPWBOQXZZPIP-LLVKDONJSA-N 1 2 234.299 0.716 20 0 BCADLO C[C@@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334259963 352872667 /nfs/dbraw/zinc/87/26/67/352872667.db2.gz VHNPWBOQXZZPIP-LLVKDONJSA-N 1 2 234.299 0.716 20 0 BCADLO C[N@H+](CC(=O)Nc1nn[nH]n1)Cc1ccccc1 ZINC000342853318 352875194 /nfs/dbraw/zinc/87/51/94/352875194.db2.gz UVYMODVUYWCKTL-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)Cc1ccccc1 ZINC000342853318 352875197 /nfs/dbraw/zinc/87/51/97/352875197.db2.gz UVYMODVUYWCKTL-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334244677 352833712 /nfs/dbraw/zinc/83/37/12/352833712.db2.gz RBKXEZABRKKQRJ-XCBNKYQSSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000334244677 352833715 /nfs/dbraw/zinc/83/37/15/352833715.db2.gz RBKXEZABRKKQRJ-XCBNKYQSSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000334298742 352918687 /nfs/dbraw/zinc/91/86/87/352918687.db2.gz OMCZZSZRHLFAQL-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO COCCCOCC(=O)NCc1c[nH+]c[nH]1 ZINC000342871066 352883517 /nfs/dbraw/zinc/88/35/17/352883517.db2.gz MXUYTHQWNHKLAI-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO COCCCOCC(=O)NCc1c[nH]c[nH+]1 ZINC000342871066 352883520 /nfs/dbraw/zinc/88/35/20/352883520.db2.gz MXUYTHQWNHKLAI-UHFFFAOYSA-N 1 2 227.264 0.079 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334254373 352891693 /nfs/dbraw/zinc/89/16/93/352891693.db2.gz MXXIGKUTFBCMNV-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334254373 352891694 /nfs/dbraw/zinc/89/16/94/352891694.db2.gz MXXIGKUTFBCMNV-LLVKDONJSA-N 1 2 227.283 0.635 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)nc1 ZINC000412097184 191261054 /nfs/dbraw/zinc/26/10/54/191261054.db2.gz SXCMRFJCVPEHQK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)nc1 ZINC000412097184 191261057 /nfs/dbraw/zinc/26/10/57/191261057.db2.gz SXCMRFJCVPEHQK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC(C)(F)F)C[C@@H]21 ZINC000334318415 352948774 /nfs/dbraw/zinc/94/87/74/352948774.db2.gz WKGWZRJQEXYSNY-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC(C)(F)F)C[C@@H]21 ZINC000334318415 352948775 /nfs/dbraw/zinc/94/87/75/352948775.db2.gz WKGWZRJQEXYSNY-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO COC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000577855236 366085202 /nfs/dbraw/zinc/08/52/02/366085202.db2.gz JYLMCOIWWUJYPX-VIFPVBQESA-N 1 2 223.276 0.691 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1(CO)CCC1 ZINC000158730392 180823502 /nfs/dbraw/zinc/82/35/02/180823502.db2.gz ZOVTZXKTTFRLSN-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000334394240 353066204 /nfs/dbraw/zinc/06/62/04/353066204.db2.gz BKWVVIKTIJKMNA-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000334394240 353066205 /nfs/dbraw/zinc/06/62/05/353066205.db2.gz BKWVVIKTIJKMNA-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1F ZINC000638908918 353071534 /nfs/dbraw/zinc/07/15/34/353071534.db2.gz AXQMHZNYCGGMKK-VXNVDRBHSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnc(N)nc2N)C[C@H]1F ZINC000638908918 353071536 /nfs/dbraw/zinc/07/15/36/353071536.db2.gz AXQMHZNYCGGMKK-VXNVDRBHSA-N 1 2 239.298 0.482 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)nc2N)C[C@H]1F ZINC000638908918 353071539 /nfs/dbraw/zinc/07/15/39/353071539.db2.gz AXQMHZNYCGGMKK-VXNVDRBHSA-N 1 2 239.298 0.482 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000334381777 353047847 /nfs/dbraw/zinc/04/78/47/353047847.db2.gz JRABPNIDGPBRMM-ZCFIWIBFSA-N 1 2 230.218 0.356 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334430381 353105330 /nfs/dbraw/zinc/10/53/30/353105330.db2.gz VDWVLLYYVIYDAS-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334430381 353105332 /nfs/dbraw/zinc/10/53/32/353105332.db2.gz VDWVLLYYVIYDAS-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000356507154 188064665 /nfs/dbraw/zinc/06/46/65/188064665.db2.gz AJTZFLGCHWEIRR-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CC(=O)CCCC(=O)N1CC[NH+](C)CC1 ZINC000357431690 188065846 /nfs/dbraw/zinc/06/58/46/188065846.db2.gz AYTCGWNHXUHYKV-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000345351906 188084753 /nfs/dbraw/zinc/08/47/53/188084753.db2.gz OUPTWUHGIYCSQD-UWVGGRQHSA-N 1 2 236.319 0.831 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cc(C)cn1 ZINC000330364018 353170169 /nfs/dbraw/zinc/17/01/69/353170169.db2.gz BYGBLPRKRILLIJ-LLVKDONJSA-N 1 2 236.319 0.402 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc(C)cn1 ZINC000330364018 353170171 /nfs/dbraw/zinc/17/01/71/353170171.db2.gz BYGBLPRKRILLIJ-LLVKDONJSA-N 1 2 236.319 0.402 20 0 BCADLO CC(C)N1CC[N@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000638969307 353175913 /nfs/dbraw/zinc/17/59/13/353175913.db2.gz PEPKIYRDRCRVFF-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CC(C)N1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000638969307 353175915 /nfs/dbraw/zinc/17/59/15/353175915.db2.gz PEPKIYRDRCRVFF-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CCN1CC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000330690628 353177531 /nfs/dbraw/zinc/17/75/31/353177531.db2.gz FVCCJPMFTZYIHN-UHFFFAOYSA-N 1 2 222.248 0.167 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)n1C ZINC000048571343 353160018 /nfs/dbraw/zinc/16/00/18/353160018.db2.gz GWXOLNXPQLEWFK-QMMMGPOBSA-N 1 2 240.307 0.364 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)n1C ZINC000048571343 353160020 /nfs/dbraw/zinc/16/00/20/353160020.db2.gz GWXOLNXPQLEWFK-QMMMGPOBSA-N 1 2 240.307 0.364 20 0 BCADLO CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000075852480 188133766 /nfs/dbraw/zinc/13/37/66/188133766.db2.gz FSBLCRYPOIBAOY-UHFFFAOYSA-N 1 2 234.299 0.878 20 0 BCADLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093092415 188145759 /nfs/dbraw/zinc/14/57/59/188145759.db2.gz ARVUJQASUHWQBA-DTORHVGOSA-N 1 2 240.303 0.510 20 0 BCADLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093092415 188145760 /nfs/dbraw/zinc/14/57/60/188145760.db2.gz ARVUJQASUHWQBA-DTORHVGOSA-N 1 2 240.303 0.510 20 0 BCADLO COc1ccc(C[N@H+](C)CC(N)=O)cc1O ZINC000080985387 188137403 /nfs/dbraw/zinc/13/74/03/188137403.db2.gz BVENXMULUKZZJI-UHFFFAOYSA-N 1 2 224.260 0.318 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(N)=O)cc1O ZINC000080985387 188137405 /nfs/dbraw/zinc/13/74/05/188137405.db2.gz BVENXMULUKZZJI-UHFFFAOYSA-N 1 2 224.260 0.318 20 0 BCADLO OCc1ccnc(NCCn2cc[nH+]c2)n1 ZINC000336660441 188163252 /nfs/dbraw/zinc/16/32/52/188163252.db2.gz BJNWVNYEBGBTPX-UHFFFAOYSA-N 1 2 219.248 0.278 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC(C)(CO)CO)s1 ZINC000180550972 188167232 /nfs/dbraw/zinc/16/72/32/188167232.db2.gz KYKFZUFFHULHSM-UHFFFAOYSA-N 1 2 244.360 0.874 20 0 BCADLO Cc1cnc(C[N@H+](C)CC(C)(CO)CO)s1 ZINC000180550972 188167234 /nfs/dbraw/zinc/16/72/34/188167234.db2.gz KYKFZUFFHULHSM-UHFFFAOYSA-N 1 2 244.360 0.874 20 0 BCADLO Cc1nc(N(C)[C@H](C)C[S@](C)=O)cc[nH+]1 ZINC000185713950 188170407 /nfs/dbraw/zinc/17/04/07/188170407.db2.gz RDKCVJSZJSLWNZ-GLEZIHRCSA-N 1 2 227.333 0.988 20 0 BCADLO CCn1nccc1C[NH2+]Cc1nccn1C ZINC000162691805 538111857 /nfs/dbraw/zinc/11/18/57/538111857.db2.gz QYMGQWHMCFOUMA-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CC(C)=CCNC(=O)NCC[NH+]1CCOCC1 ZINC000190294368 188172359 /nfs/dbraw/zinc/17/23/59/188172359.db2.gz HGXLXHRZGHDRCM-UHFFFAOYSA-N 1 2 241.335 0.584 20 0 BCADLO CC(C)[C@H]([NH2+]CCO)C(=O)OC(C)(C)C ZINC000120361139 188173268 /nfs/dbraw/zinc/17/32/68/188173268.db2.gz REWITDUDPMIUPG-VIFPVBQESA-N 1 2 217.309 0.935 20 0 BCADLO CC(=O)N1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000264815272 188194466 /nfs/dbraw/zinc/19/44/66/188194466.db2.gz UGHBSFRUHMDFTG-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO Cc1nccc(N(C)CC[NH+]2CCOCC2)n1 ZINC000266333464 188195809 /nfs/dbraw/zinc/19/58/09/188195809.db2.gz HGVSMWKBMUNNPF-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1N ZINC000134411793 538112156 /nfs/dbraw/zinc/11/21/56/538112156.db2.gz KDGUEUGBDLVHKS-QMMMGPOBSA-N 1 2 248.290 0.017 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593691 188189441 /nfs/dbraw/zinc/18/94/41/188189441.db2.gz UIZALZDPJBPBTR-CMPLNLGQSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338593691 188189443 /nfs/dbraw/zinc/18/94/43/188189443.db2.gz UIZALZDPJBPBTR-CMPLNLGQSA-N 1 2 246.326 0.553 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](N)C(F)(F)F ZINC000639017591 353271615 /nfs/dbraw/zinc/27/16/15/353271615.db2.gz WZQRWTWFKMYHPM-LURJTMIESA-N 1 2 236.197 0.258 20 0 BCADLO C/C=C/C=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000298506300 188214611 /nfs/dbraw/zinc/21/46/11/188214611.db2.gz QXBIHEOILZBAIS-KANVGOIPSA-N 1 2 238.331 0.956 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000299085672 188215341 /nfs/dbraw/zinc/21/53/41/188215341.db2.gz RVOYVCUATXIFPJ-VIFPVBQESA-N 1 2 222.292 0.981 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000340858807 188216577 /nfs/dbraw/zinc/21/65/77/188216577.db2.gz GCMHPILHBRCUCQ-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO Cc1ccnc(-c2noc(C[NH+](C)C)n2)n1 ZINC000278698301 188203495 /nfs/dbraw/zinc/20/34/95/188203495.db2.gz NEKOTADXNUUGPT-UHFFFAOYSA-N 1 2 219.248 0.897 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279139790 188204451 /nfs/dbraw/zinc/20/44/51/188204451.db2.gz GBRGTWGRSCEMJH-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO Cc1ccnc(C[N@H+](C)CCC(N)=O)n1 ZINC000353193384 188205189 /nfs/dbraw/zinc/20/51/89/188205189.db2.gz MXZLYCGXQUIHDL-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CCC(N)=O)n1 ZINC000353193384 188205190 /nfs/dbraw/zinc/20/51/90/188205190.db2.gz MXZLYCGXQUIHDL-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC(N)=O ZINC000287488480 188209739 /nfs/dbraw/zinc/20/97/39/188209739.db2.gz KRZIOXAHYHSLSB-UHFFFAOYSA-N 1 2 236.275 0.695 20 0 BCADLO Cc1c(C[N@@H+]2CCn3cncc3C2)cnn1C ZINC000291002437 188211622 /nfs/dbraw/zinc/21/16/22/188211622.db2.gz BAUZGULKACJAQS-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1c(C[N@H+]2CCn3cncc3C2)cnn1C ZINC000291002437 188211623 /nfs/dbraw/zinc/21/16/23/188211623.db2.gz BAUZGULKACJAQS-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000291521705 188211959 /nfs/dbraw/zinc/21/19/59/188211959.db2.gz ZJWJMZCZSOKRDS-UHFFFAOYSA-N 1 2 247.298 0.106 20 0 BCADLO CC(C)[C@H](O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292114304 188212318 /nfs/dbraw/zinc/21/23/18/188212318.db2.gz QPZVCBVAZUAGMM-JTQLQIEISA-N 1 2 223.276 0.242 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352658704 188231561 /nfs/dbraw/zinc/23/15/61/188231561.db2.gz FUQDAFVVQCSADF-JTQLQIEISA-N 1 2 241.335 0.016 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352658704 188231563 /nfs/dbraw/zinc/23/15/63/188231563.db2.gz FUQDAFVVQCSADF-JTQLQIEISA-N 1 2 241.335 0.016 20 0 BCADLO COc1ccc(N[C@H](C)CC(N)=O)[nH+]c1 ZINC000225836047 538114314 /nfs/dbraw/zinc/11/43/14/538114314.db2.gz HQUCVWNHRQAJEX-SSDOTTSWSA-N 1 2 209.249 0.766 20 0 BCADLO COc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000329968944 188226432 /nfs/dbraw/zinc/22/64/32/188226432.db2.gz UEPMZUFAGDMTNN-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000329968944 188226433 /nfs/dbraw/zinc/22/64/33/188226433.db2.gz UEPMZUFAGDMTNN-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000577858860 366087299 /nfs/dbraw/zinc/08/72/99/366087299.db2.gz ADHMRSCCFVQRBY-NSHDSACASA-N 1 2 235.291 0.065 20 0 BCADLO CC[C@@](C)(C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046949 353338640 /nfs/dbraw/zinc/33/86/40/353338640.db2.gz HBMCYOVUJZPYED-NSHDSACASA-N 1 2 240.307 0.614 20 0 BCADLO CC[C@@](C)(C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046949 353338643 /nfs/dbraw/zinc/33/86/43/353338643.db2.gz HBMCYOVUJZPYED-NSHDSACASA-N 1 2 240.307 0.614 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)nn1 ZINC000135602364 538115842 /nfs/dbraw/zinc/11/58/42/538115842.db2.gz AULQBOIIRJJMFM-UHFFFAOYSA-N 1 2 234.303 0.481 20 0 BCADLO C[C@@H](C[S@@](C)=O)N(C)c1cc(CO)cc[nH+]1 ZINC000398983376 353420643 /nfs/dbraw/zinc/42/06/43/353420643.db2.gz CAFFTOZBHOJZKI-XXFAHNHDSA-N 1 2 242.344 0.777 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COCCN2C)cc[nH+]1 ZINC000343299077 353424172 /nfs/dbraw/zinc/42/41/72/353424172.db2.gz BVHDGYMIOYPHBU-LLVKDONJSA-N 1 2 235.287 0.081 20 0 BCADLO C[C@@H]([N@H+](C)Cc1n[nH]c(=O)[nH]1)C1(C)CC1 ZINC000091590722 353410077 /nfs/dbraw/zinc/41/00/77/353410077.db2.gz WSICWKWCUQLGOU-SSDOTTSWSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@@H]([N@@H+](C)Cc1n[nH]c(=O)[nH]1)C1(C)CC1 ZINC000091590722 353410080 /nfs/dbraw/zinc/41/00/80/353410080.db2.gz WSICWKWCUQLGOU-SSDOTTSWSA-N 1 2 210.281 0.718 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N1CC[C@H](F)C1 ZINC000334510334 353448742 /nfs/dbraw/zinc/44/87/42/353448742.db2.gz JREGYDOGUDRWEE-JTQLQIEISA-N 1 2 245.298 0.072 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](F)C2)C1 ZINC000334510423 353458605 /nfs/dbraw/zinc/45/86/05/353458605.db2.gz LEXRENMHCUGYLG-NXEZZACHSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](F)C2)C1 ZINC000334510423 353458607 /nfs/dbraw/zinc/45/86/07/353458607.db2.gz LEXRENMHCUGYLG-NXEZZACHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192042208 353533735 /nfs/dbraw/zinc/53/37/35/353533735.db2.gz UDXFVISBRHPGSQ-BDAKNGLRSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192042208 353533737 /nfs/dbraw/zinc/53/37/37/353533737.db2.gz UDXFVISBRHPGSQ-BDAKNGLRSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399008756 353586817 /nfs/dbraw/zinc/58/68/17/353586817.db2.gz WAUFQNOUDGRQAD-DGCLKSJQSA-N 1 2 247.298 0.441 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C)c2cn[nH]c2)[nH]1 ZINC000336779924 353561541 /nfs/dbraw/zinc/56/15/41/353561541.db2.gz PVLASDCAEBUGSV-SSDOTTSWSA-N 1 2 220.280 0.941 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)C(=O)OC)C1 ZINC000192858618 353571079 /nfs/dbraw/zinc/57/10/79/353571079.db2.gz VRFRXMCAUVHKQA-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)OCC ZINC000152531512 324177513 /nfs/dbraw/zinc/17/75/13/324177513.db2.gz VGCTZJBGVUTRQN-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)OCC ZINC000152531512 324177516 /nfs/dbraw/zinc/17/75/16/324177516.db2.gz VGCTZJBGVUTRQN-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1COCCO1 ZINC000194738602 353692598 /nfs/dbraw/zinc/69/25/98/353692598.db2.gz AIDVFCCYHRXOAW-JTQLQIEISA-N 1 2 238.243 0.444 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194919727 353709452 /nfs/dbraw/zinc/70/94/52/353709452.db2.gz FFUXMZSDCQWYQK-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194919727 353709457 /nfs/dbraw/zinc/70/94/57/353709457.db2.gz FFUXMZSDCQWYQK-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@H](C)C[NH2+][C@H](COC)C(=O)OC ZINC000308954272 353725785 /nfs/dbraw/zinc/72/57/85/353725785.db2.gz QATIOLMPEVVRAM-RKDXNWHRSA-N 1 2 219.281 0.047 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccc1)[C@H]1CCNC1=O ZINC000178291226 366111957 /nfs/dbraw/zinc/11/19/57/366111957.db2.gz KLXRLBBGJALKPD-NSHDSACASA-N 1 2 247.298 0.445 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccc1)[C@H]1CCNC1=O ZINC000178291226 366111964 /nfs/dbraw/zinc/11/19/64/366111964.db2.gz KLXRLBBGJALKPD-NSHDSACASA-N 1 2 247.298 0.445 20 0 BCADLO C[C@@H](O)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343339752 353802823 /nfs/dbraw/zinc/80/28/23/353802823.db2.gz UNFKROZPVXVWNU-SECBINFHSA-N 1 2 246.270 0.646 20 0 BCADLO OCC(F)(F)C[NH2+]CC1(O)CCCC1 ZINC000228760322 363264985 /nfs/dbraw/zinc/26/49/85/363264985.db2.gz HLJHMJSIILZKTK-UHFFFAOYSA-N 1 2 209.236 0.509 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CC1(F)F ZINC000639133485 353843537 /nfs/dbraw/zinc/84/35/37/353843537.db2.gz NRDFDDHCUGBRBW-RITPCOANSA-N 1 2 217.223 0.343 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CC1(F)F ZINC000639133484 353843859 /nfs/dbraw/zinc/84/38/59/353843859.db2.gz NRDFDDHCUGBRBW-PHDIDXHHSA-N 1 2 217.223 0.343 20 0 BCADLO CCc1cc(N[C@H](CCO)COC)nc[nH+]1 ZINC000218932566 353929429 /nfs/dbraw/zinc/92/94/29/353929429.db2.gz QDIAUGMSTZPLKO-SNVBAGLBSA-N 1 2 225.292 0.848 20 0 BCADLO CN(c1cc[nH+]c2ccncc21)[C@H]1COC[C@@H]1O ZINC000343586766 353940432 /nfs/dbraw/zinc/94/04/32/353940432.db2.gz FIJQNESOYXOUIK-STQMWFEESA-N 1 2 245.282 0.826 20 0 BCADLO COC(=O)C1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000343591847 353942062 /nfs/dbraw/zinc/94/20/62/353942062.db2.gz CYDPMGMRKLXRMJ-UHFFFAOYSA-N 1 2 237.259 0.321 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cncnc1 ZINC000343624499 353947260 /nfs/dbraw/zinc/94/72/60/353947260.db2.gz PPBUZMUKRSCPLX-WDEREUQCSA-N 1 2 232.287 0.187 20 0 BCADLO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1cncnc1 ZINC000343624499 353947263 /nfs/dbraw/zinc/94/72/63/353947263.db2.gz PPBUZMUKRSCPLX-WDEREUQCSA-N 1 2 232.287 0.187 20 0 BCADLO CCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000343753155 353972689 /nfs/dbraw/zinc/97/26/89/353972689.db2.gz JKJVBUVJCVWLSB-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000343753155 353972692 /nfs/dbraw/zinc/97/26/92/353972692.db2.gz JKJVBUVJCVWLSB-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334546536 353984471 /nfs/dbraw/zinc/98/44/71/353984471.db2.gz CQBJJXGGRVVADA-VXGBXAGGSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334546536 353984472 /nfs/dbraw/zinc/98/44/72/353984472.db2.gz CQBJJXGGRVVADA-VXGBXAGGSA-N 1 2 249.314 0.478 20 0 BCADLO C[C@@H]1CC[C@@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348711288 366129928 /nfs/dbraw/zinc/12/99/28/366129928.db2.gz XVHSPCREVFIIIM-JEZHCXPESA-N 1 2 248.286 0.671 20 0 BCADLO C[C@@H]1CC[C@@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348711288 366129933 /nfs/dbraw/zinc/12/99/33/366129933.db2.gz XVHSPCREVFIIIM-JEZHCXPESA-N 1 2 248.286 0.671 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000343645939 353952898 /nfs/dbraw/zinc/95/28/98/353952898.db2.gz RVFBOPUIMXOFQJ-SSDOTTSWSA-N 1 2 242.279 0.284 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000343645939 353952902 /nfs/dbraw/zinc/95/29/02/353952902.db2.gz RVFBOPUIMXOFQJ-SSDOTTSWSA-N 1 2 242.279 0.284 20 0 BCADLO O=C(COCC(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000529405146 324288511 /nfs/dbraw/zinc/28/85/11/324288511.db2.gz RNDJTCWPJYBQPE-UHFFFAOYSA-N 1 2 245.229 0.576 20 0 BCADLO O=C(COCC(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000529405146 324288514 /nfs/dbraw/zinc/28/85/14/324288514.db2.gz RNDJTCWPJYBQPE-UHFFFAOYSA-N 1 2 245.229 0.576 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000343808090 354010997 /nfs/dbraw/zinc/01/09/97/354010997.db2.gz MFNILXCWQUUDLG-SNVBAGLBSA-N 1 2 239.319 0.785 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000343808090 354011000 /nfs/dbraw/zinc/01/10/00/354011000.db2.gz MFNILXCWQUUDLG-SNVBAGLBSA-N 1 2 239.319 0.785 20 0 BCADLO CO[C@H]1C[C@H](CO)[N@H+](Cc2ncc(C)n2C)C1 ZINC000343992337 354063785 /nfs/dbraw/zinc/06/37/85/354063785.db2.gz WPIRKIVTQQWBKG-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@H]1C[C@H](CO)[N@@H+](Cc2ncc(C)n2C)C1 ZINC000343992337 354063788 /nfs/dbraw/zinc/06/37/88/354063788.db2.gz WPIRKIVTQQWBKG-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO CO[C@H]1C[C@H](CO)N(Cc2[nH+]cc(C)n2C)C1 ZINC000343992337 354063791 /nfs/dbraw/zinc/06/37/91/354063791.db2.gz WPIRKIVTQQWBKG-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000343948399 354068645 /nfs/dbraw/zinc/06/86/45/354068645.db2.gz VGAQWQOTQNIEPV-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H]1C(F)F ZINC000343948399 354068646 /nfs/dbraw/zinc/06/86/46/354068646.db2.gz VGAQWQOTQNIEPV-XVKPBYJWSA-N 1 2 237.246 0.640 20 0 BCADLO CCc1nnc(C[N@H+](C)CCOCCOC)[nH]1 ZINC000344063461 354129985 /nfs/dbraw/zinc/12/99/85/354129985.db2.gz CLLTUNZUTNEVHC-UHFFFAOYSA-N 1 2 242.323 0.462 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCOCCOC)[nH]1 ZINC000344063461 354129988 /nfs/dbraw/zinc/12/99/88/354129988.db2.gz CLLTUNZUTNEVHC-UHFFFAOYSA-N 1 2 242.323 0.462 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000344030029 354092996 /nfs/dbraw/zinc/09/29/96/354092996.db2.gz BPDLRGJVUCCWDR-SNVBAGLBSA-N 1 2 246.376 0.263 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000344030029 354093001 /nfs/dbraw/zinc/09/30/01/354093001.db2.gz BPDLRGJVUCCWDR-SNVBAGLBSA-N 1 2 246.376 0.263 20 0 BCADLO CCC(=O)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000344085809 354137384 /nfs/dbraw/zinc/13/73/84/354137384.db2.gz DVYZZFIHEWLRAF-SECBINFHSA-N 1 2 244.360 0.519 20 0 BCADLO Cn1ccnc1CNC(=O)NCCn1cc[nH+]c1 ZINC000344015139 354119673 /nfs/dbraw/zinc/11/96/73/354119673.db2.gz JPFGAQCLTJIKIE-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)C[C@H]2C)no1 ZINC000344174461 354172149 /nfs/dbraw/zinc/17/21/49/354172149.db2.gz QDICJULKZXOJOZ-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)no1 ZINC000344174461 354172153 /nfs/dbraw/zinc/17/21/53/354172153.db2.gz QDICJULKZXOJOZ-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCn2c[nH+]cc2C1 ZINC000344112396 354140509 /nfs/dbraw/zinc/14/05/09/354140509.db2.gz LKUWFMRPSCBAIV-ZETCQYMHSA-N 1 2 229.230 0.827 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127871 354146640 /nfs/dbraw/zinc/14/66/40/354146640.db2.gz WZMKGFUFKIYIBD-BDAKNGLRSA-N 1 2 240.307 0.725 20 0 BCADLO CO[C@H](C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344127871 354146644 /nfs/dbraw/zinc/14/66/44/354146644.db2.gz WZMKGFUFKIYIBD-BDAKNGLRSA-N 1 2 240.307 0.725 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344129998 354147481 /nfs/dbraw/zinc/14/74/81/354147481.db2.gz MIHBJJIVXXLGCP-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344129998 354147483 /nfs/dbraw/zinc/14/74/83/354147483.db2.gz MIHBJJIVXXLGCP-GHMZBOCLSA-N 1 2 238.335 0.891 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344248081 354190124 /nfs/dbraw/zinc/19/01/24/354190124.db2.gz QSOLHLYYYOBWOW-SFYZADRCSA-N 1 2 223.276 0.418 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344248081 354190128 /nfs/dbraw/zinc/19/01/28/354190128.db2.gz QSOLHLYYYOBWOW-SFYZADRCSA-N 1 2 223.276 0.418 20 0 BCADLO Cc1cc(NC(=O)c2coc(C(N)=O)c2)cc[nH+]1 ZINC000334593176 354224134 /nfs/dbraw/zinc/22/41/34/354224134.db2.gz IJGGCCGYPBQKJI-UHFFFAOYSA-N 1 2 245.238 0.756 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000231828010 363354993 /nfs/dbraw/zinc/35/49/93/363354993.db2.gz AYBKCHZOOBXEQI-UHFFFAOYSA-N 1 2 214.294 0.033 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000231828010 363354994 /nfs/dbraw/zinc/35/49/94/363354994.db2.gz AYBKCHZOOBXEQI-UHFFFAOYSA-N 1 2 214.294 0.033 20 0 BCADLO C[C@@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCO[C@H]1C1CC1 ZINC000344336617 354231981 /nfs/dbraw/zinc/23/19/81/354231981.db2.gz MUKMMLSXMSTPEC-GXSJLCMTSA-N 1 2 238.291 0.558 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334610331 354292883 /nfs/dbraw/zinc/29/28/83/354292883.db2.gz OVLBRUZLXJJSGO-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334610331 354292885 /nfs/dbraw/zinc/29/28/85/354292885.db2.gz OVLBRUZLXJJSGO-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO CCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000334610794 354293552 /nfs/dbraw/zinc/29/35/52/354293552.db2.gz FUZYFHHKHASWSP-UHFFFAOYSA-N 1 2 229.305 0.439 20 0 BCADLO C[C@@H](O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000344445521 354274844 /nfs/dbraw/zinc/27/48/44/354274844.db2.gz HZDDHWXNZSCQLC-SECBINFHSA-N 1 2 237.303 0.259 20 0 BCADLO FC(F)COCC[NH2+]Cc1ccn[nH]1 ZINC000190902174 354347000 /nfs/dbraw/zinc/34/70/00/354347000.db2.gz PJDROVIRCFYWNG-UHFFFAOYSA-N 1 2 205.208 0.781 20 0 BCADLO COC[C@@H]([NH2+]Cc1cnnn1C)c1ccco1 ZINC000344770272 354359044 /nfs/dbraw/zinc/35/90/44/354359044.db2.gz KMNVGQDKDUAQSW-SNVBAGLBSA-N 1 2 236.275 0.885 20 0 BCADLO Cc1[nH]c(C(=O)NCCCn2ccnn2)c[nH+]1 ZINC000344965222 354385116 /nfs/dbraw/zinc/38/51/16/354385116.db2.gz FTQYSWDRNMYKTF-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO CC=CC[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000349265197 366171016 /nfs/dbraw/zinc/17/10/16/366171016.db2.gz BUKSEDNIBAQOTP-VMZHVLLKSA-N 1 2 248.286 0.770 20 0 BCADLO O=C1N[C@@H](CC2CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000349272528 366171545 /nfs/dbraw/zinc/17/15/45/366171545.db2.gz KNTAJZRXASXKGN-JTQLQIEISA-N 1 2 248.286 0.604 20 0 BCADLO O=C1CN(C2CCC2)C(=O)N1CCn1cc[nH+]c1 ZINC000349273352 366172362 /nfs/dbraw/zinc/17/23/62/366172362.db2.gz AQOIVXGVBJNYIF-UHFFFAOYSA-N 1 2 248.286 0.700 20 0 BCADLO CC[C@@H](OC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344785298 354368493 /nfs/dbraw/zinc/36/84/93/354368493.db2.gz JTPTUYFERGZPIQ-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CC(C)[C@H](CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC000334642987 354400157 /nfs/dbraw/zinc/40/01/57/354400157.db2.gz QMAUASOQOFNESY-NSHDSACASA-N 1 2 237.303 0.490 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H](O)C1CCC1 ZINC000334668115 354407442 /nfs/dbraw/zinc/40/74/42/354407442.db2.gz OETZFIANVMSLMN-LLVKDONJSA-N 1 2 220.272 0.911 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C1CC1 ZINC000334668644 354408659 /nfs/dbraw/zinc/40/86/59/354408659.db2.gz BXKYMJFIZLAVNE-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C1CC1 ZINC000334668644 354408664 /nfs/dbraw/zinc/40/86/64/354408664.db2.gz BXKYMJFIZLAVNE-RYUDHWBXSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334683740 354429583 /nfs/dbraw/zinc/42/95/83/354429583.db2.gz QMYOCHYLCQQTBV-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000334683740 354429585 /nfs/dbraw/zinc/42/95/85/354429585.db2.gz QMYOCHYLCQQTBV-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000334663856 354464328 /nfs/dbraw/zinc/46/43/28/354464328.db2.gz RRJFOWNJTDSMAI-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000334663856 354464329 /nfs/dbraw/zinc/46/43/29/354464329.db2.gz RRJFOWNJTDSMAI-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC(O)C1 ZINC000334665866 354467569 /nfs/dbraw/zinc/46/75/69/354467569.db2.gz FKBZYTZBHLSCQJ-BMQDGWLCSA-N 1 2 249.314 0.427 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)[C@H](C(N)=O)C1 ZINC000334707923 354502765 /nfs/dbraw/zinc/50/27/65/354502765.db2.gz JYFZTXLKHXJTIA-ZJUUUORDSA-N 1 2 239.319 0.854 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)[C@H](C(N)=O)C1 ZINC000334707923 354502769 /nfs/dbraw/zinc/50/27/69/354502769.db2.gz JYFZTXLKHXJTIA-ZJUUUORDSA-N 1 2 239.319 0.854 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334708371 354503332 /nfs/dbraw/zinc/50/33/32/354503332.db2.gz OKYMVTPBMVLHCC-NSHDSACASA-N 1 2 235.287 0.790 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334708371 354503335 /nfs/dbraw/zinc/50/33/35/354503335.db2.gz OKYMVTPBMVLHCC-NSHDSACASA-N 1 2 235.287 0.790 20 0 BCADLO O=C1[C@H]([N@@H+]2CC[C@H](F)C2)CCN1C1CC1 ZINC000334806852 354563220 /nfs/dbraw/zinc/56/32/20/354563220.db2.gz BEVBEZRUUWBXAH-WCBMZHEXSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1[C@H]([N@H+]2CC[C@H](F)C2)CCN1C1CC1 ZINC000334806852 354563221 /nfs/dbraw/zinc/56/32/21/354563221.db2.gz BEVBEZRUUWBXAH-WCBMZHEXSA-N 1 2 212.268 0.794 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000334754344 354575563 /nfs/dbraw/zinc/57/55/63/354575563.db2.gz DVPCVLBLUVEICM-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO Cn1cc(CCC(=O)Nc2cc[nH+]cc2O)cn1 ZINC000345383804 354646978 /nfs/dbraw/zinc/64/69/78/354646978.db2.gz WFMMYCVJPSESRY-UHFFFAOYSA-N 1 2 246.270 0.514 20 0 BCADLO COCCCCC(=O)Nc1cc[nH+]cc1O ZINC000345375065 354655963 /nfs/dbraw/zinc/65/59/63/354655963.db2.gz AVAAUTPZQAECPO-UHFFFAOYSA-N 1 2 224.260 0.964 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C2)on1 ZINC000074324771 354607692 /nfs/dbraw/zinc/60/76/92/354607692.db2.gz HWVISHWAYOHEPF-RKDXNWHRSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C2)on1 ZINC000074324771 354607694 /nfs/dbraw/zinc/60/76/94/354607694.db2.gz HWVISHWAYOHEPF-RKDXNWHRSA-N 1 2 239.275 0.377 20 0 BCADLO COC(=O)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000345635362 354720093 /nfs/dbraw/zinc/72/00/93/354720093.db2.gz DVRAIWCXXCECJS-UHFFFAOYSA-N 1 2 239.275 0.330 20 0 BCADLO COC(=O)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000345635362 354720095 /nfs/dbraw/zinc/72/00/95/354720095.db2.gz DVRAIWCXXCECJS-UHFFFAOYSA-N 1 2 239.275 0.330 20 0 BCADLO CC[S@](=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000345641580 354722375 /nfs/dbraw/zinc/72/23/75/354722375.db2.gz LXAUSDRRTUAEMZ-INIZCTEOSA-N 1 2 243.332 0.158 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000335124116 354765676 /nfs/dbraw/zinc/76/56/76/354765676.db2.gz JKHGBKWSPDNUSI-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000335124116 354765681 /nfs/dbraw/zinc/76/56/81/354765681.db2.gz JKHGBKWSPDNUSI-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO COc1ccnc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000345654871 354737934 /nfs/dbraw/zinc/73/79/34/354737934.db2.gz VHHMBWHBQFNJKX-UHFFFAOYSA-N 1 2 219.248 0.845 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000345895699 354801312 /nfs/dbraw/zinc/80/13/12/354801312.db2.gz YYSAMBDVSCCWRA-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000345895699 354801314 /nfs/dbraw/zinc/80/13/14/354801314.db2.gz YYSAMBDVSCCWRA-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO OCC[N@H+](CC(F)F)C1CCOCC1 ZINC000230073164 491067962 /nfs/dbraw/zinc/06/79/62/491067962.db2.gz WWNQYLZBIZMSJV-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO OCC[N@@H+](CC(F)F)C1CCOCC1 ZINC000230073164 491067965 /nfs/dbraw/zinc/06/79/65/491067965.db2.gz WWNQYLZBIZMSJV-UHFFFAOYSA-N 1 2 209.236 0.725 20 0 BCADLO C[C@]1(CCCO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000345956704 354820004 /nfs/dbraw/zinc/82/00/04/354820004.db2.gz LWJFGJLVVAIXNA-LLVKDONJSA-N 1 2 240.307 0.637 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000234548904 363423380 /nfs/dbraw/zinc/42/33/80/363423380.db2.gz ZCMVIFIOVOCAKU-QXFUBDJGSA-N 1 2 201.266 0.705 20 0 BCADLO Cn1[nH]c(C[N@@H+]2C[C@H]3CCC[C@H]32)nc1=O ZINC000335143959 354850700 /nfs/dbraw/zinc/85/07/00/354850700.db2.gz UVWKWKGRVXJOTI-HTQZYQBOSA-N 1 2 208.265 0.093 20 0 BCADLO Cn1[nH]c(C[N@H+]2C[C@H]3CCC[C@H]32)nc1=O ZINC000335143959 354850704 /nfs/dbraw/zinc/85/07/04/354850704.db2.gz UVWKWKGRVXJOTI-HTQZYQBOSA-N 1 2 208.265 0.093 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000233658120 363404937 /nfs/dbraw/zinc/40/49/37/363404937.db2.gz XKQDYTXECGHHNQ-GXSJLCMTSA-N 1 2 213.277 0.707 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)O ZINC000235141718 363439150 /nfs/dbraw/zinc/43/91/50/363439150.db2.gz SZRGZKZRGBEKJC-QMMMGPOBSA-N 1 2 211.265 0.159 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOCC(F)F ZINC000346423049 354925210 /nfs/dbraw/zinc/92/52/10/354925210.db2.gz CFGSYWMMDXXCKZ-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOCC(F)F ZINC000346423049 354925213 /nfs/dbraw/zinc/92/52/13/354925213.db2.gz CFGSYWMMDXXCKZ-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO CC/C=C/CC[N@@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346517712 354973979 /nfs/dbraw/zinc/97/39/79/354973979.db2.gz ZPCJJPIIFGIYCG-XKFHPXPTSA-N 1 2 226.320 0.917 20 0 BCADLO CC/C=C/CC[N@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346517712 354973982 /nfs/dbraw/zinc/97/39/82/354973982.db2.gz ZPCJJPIIFGIYCG-XKFHPXPTSA-N 1 2 226.320 0.917 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335962024 134026749 /nfs/dbraw/zinc/02/67/49/134026749.db2.gz BQERTIPDHULITH-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335962024 134026750 /nfs/dbraw/zinc/02/67/50/134026750.db2.gz BQERTIPDHULITH-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO O=C1NCCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346663500 355005682 /nfs/dbraw/zinc/00/56/82/355005682.db2.gz YHDMZWLSZUWNQT-MRVPVSSYSA-N 1 2 244.245 0.646 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)n1 ZINC000346649557 355018778 /nfs/dbraw/zinc/01/87/78/355018778.db2.gz VCQBUIZGAPMPFN-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)n1 ZINC000346649557 355018781 /nfs/dbraw/zinc/01/87/81/355018781.db2.gz VCQBUIZGAPMPFN-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccncc1 ZINC000335196581 355029460 /nfs/dbraw/zinc/02/94/60/355029460.db2.gz UWKKOQDNOBXJPY-VUDBWIFFSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccncc1 ZINC000335196581 355029462 /nfs/dbraw/zinc/02/94/62/355029462.db2.gz UWKKOQDNOBXJPY-VUDBWIFFSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000335222019 355062629 /nfs/dbraw/zinc/06/26/29/355062629.db2.gz GUGIWKNUVBVUJC-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000335222019 355062631 /nfs/dbraw/zinc/06/26/31/355062631.db2.gz GUGIWKNUVBVUJC-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)N1CC[N@H+](CC2=CCCOC2)CC1=O ZINC000335249257 355168077 /nfs/dbraw/zinc/16/80/77/355168077.db2.gz JSACDEXWXXYUSO-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO CC(C)N1CC[N@@H+](CC2=CCCOC2)CC1=O ZINC000335249257 355168080 /nfs/dbraw/zinc/16/80/80/355168080.db2.gz JSACDEXWXXYUSO-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO COc1ccncc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000346839937 355132704 /nfs/dbraw/zinc/13/27/04/355132704.db2.gz JIQWVEKOUFKSQZ-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccncc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000346839937 355132705 /nfs/dbraw/zinc/13/27/05/355132705.db2.gz JIQWVEKOUFKSQZ-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO COC(=O)C[N@H+](C)CCOC1CCC1 ZINC000346892068 355146336 /nfs/dbraw/zinc/14/63/36/355146336.db2.gz UHFNGSOXQZRSGR-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)C[N@@H+](C)CCOC1CCC1 ZINC000346892068 355146337 /nfs/dbraw/zinc/14/63/37/355146337.db2.gz UHFNGSOXQZRSGR-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO O=C(NCC(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335240184 355155488 /nfs/dbraw/zinc/15/54/88/355155488.db2.gz KFHKSFGEIXBPIJ-SSDOTTSWSA-N 1 2 244.245 0.762 20 0 BCADLO CC(=O)CCCC(=O)Nc1cc[nH+]cc1O ZINC000352005041 134034627 /nfs/dbraw/zinc/03/46/27/134034627.db2.gz XNBJOKMZEHJLDX-UHFFFAOYSA-N 1 2 222.244 0.907 20 0 BCADLO NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639241980 355228412 /nfs/dbraw/zinc/22/84/12/355228412.db2.gz LBLMJKVJFQXMCB-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@H]1COCC[N@H+]1Cc1ccns1 ZINC000639241980 355228414 /nfs/dbraw/zinc/22/84/14/355228414.db2.gz LBLMJKVJFQXMCB-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO CC[C@H](C)[C@H](C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244480 355231428 /nfs/dbraw/zinc/23/14/28/355231428.db2.gz OIYYZPSWAYSKQM-ONGXEEELSA-N 1 2 249.376 0.776 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH+]1CC(S(C)(=O)=O)C1)OC ZINC000639244478 355231635 /nfs/dbraw/zinc/23/16/35/355231635.db2.gz OIYYZPSWAYSKQM-MWLCHTKSSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413164910 191360478 /nfs/dbraw/zinc/36/04/78/191360478.db2.gz RILORXXDPUAKGT-ZETCQYMHSA-N 1 2 235.291 0.727 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413164910 191360481 /nfs/dbraw/zinc/36/04/81/191360481.db2.gz RILORXXDPUAKGT-ZETCQYMHSA-N 1 2 235.291 0.727 20 0 BCADLO CO[C@@](C)(C[NH+]1CC(S(C)(=O)=O)C1)C1CC1 ZINC000639244585 355239512 /nfs/dbraw/zinc/23/95/12/355239512.db2.gz PEWACCISWOBUPL-NSHDSACASA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H](F)CC[N@H+](C)Cc1nncn1C ZINC000347627779 355239963 /nfs/dbraw/zinc/23/99/63/355239963.db2.gz VCMPPELJZXMTGZ-MRVPVSSYSA-N 1 2 200.261 0.995 20 0 BCADLO C[C@@H](F)CC[N@@H+](C)Cc1nncn1C ZINC000347627779 355239968 /nfs/dbraw/zinc/23/99/68/355239968.db2.gz VCMPPELJZXMTGZ-MRVPVSSYSA-N 1 2 200.261 0.995 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCOC1CCC1 ZINC000347635920 355242785 /nfs/dbraw/zinc/24/27/85/355242785.db2.gz GFQJGFNSLLTFRT-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCOC1CCC1 ZINC000347635920 355242789 /nfs/dbraw/zinc/24/27/89/355242789.db2.gz GFQJGFNSLLTFRT-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CCOCC[N@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000113511594 355247408 /nfs/dbraw/zinc/24/74/08/355247408.db2.gz HBEAYDWCUNVUBU-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO CCOCC[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000113511594 355247411 /nfs/dbraw/zinc/24/74/11/355247411.db2.gz HBEAYDWCUNVUBU-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000639234499 355218560 /nfs/dbraw/zinc/21/85/60/355218560.db2.gz IJXNVFWZORLSKU-RKDXNWHRSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000639234499 355218564 /nfs/dbraw/zinc/21/85/64/355218564.db2.gz IJXNVFWZORLSKU-RKDXNWHRSA-N 1 2 210.281 0.253 20 0 BCADLO CNC(=O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413077949 191354518 /nfs/dbraw/zinc/35/45/18/191354518.db2.gz WWDKHYAWQFGKFF-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO CNC(=O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413077949 191354520 /nfs/dbraw/zinc/35/45/20/191354520.db2.gz WWDKHYAWQFGKFF-UHFFFAOYSA-N 1 2 235.291 0.599 20 0 BCADLO CO[C@@H](CC(C)C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000639245434 355269346 /nfs/dbraw/zinc/26/93/46/355269346.db2.gz XYZKAQXPQGOQBG-JTQLQIEISA-N 1 2 249.376 0.776 20 0 BCADLO COC[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000347643391 355273047 /nfs/dbraw/zinc/27/30/47/355273047.db2.gz ABJXRDAJWMRWOL-IUCAKERBSA-N 1 2 248.273 0.525 20 0 BCADLO COC[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000347643389 355273166 /nfs/dbraw/zinc/27/31/66/355273166.db2.gz ABJXRDAJWMRWOL-DTWKUNHWSA-N 1 2 248.273 0.525 20 0 BCADLO CO[C@]1(C[NH+]2CC(OC(F)F)C2)CCOC1 ZINC000639263858 355319481 /nfs/dbraw/zinc/31/94/81/355319481.db2.gz HOGLUNIXFXMBOD-JTQLQIEISA-N 1 2 237.246 0.715 20 0 BCADLO COc1cc(C[NH+]2CC(CCO)C2)sn1 ZINC000639250795 355281035 /nfs/dbraw/zinc/28/10/35/355281035.db2.gz BSEQLCADHQTUPE-UHFFFAOYSA-N 1 2 228.317 0.966 20 0 BCADLO CC(C)n1ncnc1C[NH+]1CC(CCO)C1 ZINC000639251441 355284097 /nfs/dbraw/zinc/28/40/97/355284097.db2.gz PZIBQQKLEWVLLL-UHFFFAOYSA-N 1 2 224.308 0.673 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](C)N1C ZINC000335777272 355402909 /nfs/dbraw/zinc/40/29/09/355402909.db2.gz PQURYMGFSCLDSF-TXEJJXNPSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](C)N1C ZINC000335777272 355402911 /nfs/dbraw/zinc/40/29/11/355402911.db2.gz PQURYMGFSCLDSF-TXEJJXNPSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@H]1CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000349678222 355409246 /nfs/dbraw/zinc/40/92/46/355409246.db2.gz IGVNJEGTCWRDQD-VHSXEESVSA-N 1 2 222.292 0.981 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335784365 355433032 /nfs/dbraw/zinc/43/30/32/355433032.db2.gz ASLXZJBBFFFYAO-GFCCVEGCSA-N 1 2 234.299 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335784365 355433037 /nfs/dbraw/zinc/43/30/37/355433037.db2.gz ASLXZJBBFFFYAO-GFCCVEGCSA-N 1 2 234.299 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000335784368 355433090 /nfs/dbraw/zinc/43/30/90/355433090.db2.gz ASLXZJBBFFFYAO-LBPRGKRZSA-N 1 2 234.299 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000335784368 355433094 /nfs/dbraw/zinc/43/30/94/355433094.db2.gz ASLXZJBBFFFYAO-LBPRGKRZSA-N 1 2 234.299 0.665 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000335785101 355433612 /nfs/dbraw/zinc/43/36/12/355433612.db2.gz XKARESVUQZZICA-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000335785101 355433615 /nfs/dbraw/zinc/43/36/15/355433615.db2.gz XKARESVUQZZICA-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC23CCC3)C1 ZINC000335790186 355441641 /nfs/dbraw/zinc/44/16/41/355441641.db2.gz ODZASOHLYZSHMP-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC23CCC3)C1 ZINC000335790186 355441644 /nfs/dbraw/zinc/44/16/44/355441644.db2.gz ODZASOHLYZSHMP-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335794438 355449614 /nfs/dbraw/zinc/44/96/14/355449614.db2.gz SEYBIBSKYMTMJI-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335794438 355449619 /nfs/dbraw/zinc/44/96/19/355449619.db2.gz SEYBIBSKYMTMJI-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335813522 355501053 /nfs/dbraw/zinc/50/10/53/355501053.db2.gz XMQBJBHNABLCMR-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335813522 355501055 /nfs/dbraw/zinc/50/10/55/355501055.db2.gz XMQBJBHNABLCMR-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccn[nH]1 ZINC000335807490 355480119 /nfs/dbraw/zinc/48/01/19/355480119.db2.gz WHDBCCDSTNSJBU-ZETCQYMHSA-N 1 2 231.259 0.420 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccn[nH]1 ZINC000335807490 355480123 /nfs/dbraw/zinc/48/01/23/355480123.db2.gz WHDBCCDSTNSJBU-ZETCQYMHSA-N 1 2 231.259 0.420 20 0 BCADLO O=C1N=NC2C[N@H+](C[C@H]3CCSC3)CCN12 ZINC000335828443 355555216 /nfs/dbraw/zinc/55/52/16/355555216.db2.gz SFSDFWIASRBVKZ-MRVPVSSYSA-N 1 2 240.332 0.552 20 0 BCADLO O=C1N=NC2C[N@@H+](C[C@H]3CCSC3)CCN12 ZINC000335828443 355555218 /nfs/dbraw/zinc/55/52/18/355555218.db2.gz SFSDFWIASRBVKZ-MRVPVSSYSA-N 1 2 240.332 0.552 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C[C@H]1CCSC1)C2 ZINC000335828443 355555219 /nfs/dbraw/zinc/55/52/19/355555219.db2.gz SFSDFWIASRBVKZ-MRVPVSSYSA-N 1 2 240.332 0.552 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C[C@H]1CCSC1)C2 ZINC000335828443 355555221 /nfs/dbraw/zinc/55/52/21/355555221.db2.gz SFSDFWIASRBVKZ-MRVPVSSYSA-N 1 2 240.332 0.552 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](O)C1(C)C ZINC000335817498 355508756 /nfs/dbraw/zinc/50/87/56/355508756.db2.gz WOTTWHBXBOAGKS-SNVBAGLBSA-N 1 2 237.303 0.632 20 0 BCADLO CC[C@](C)(C[N@@H+]1CCn2nncc2C1)OC ZINC000639297237 355602607 /nfs/dbraw/zinc/60/26/07/355602607.db2.gz QCGAUAGGULJIGO-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@](C)(C[N@H+]1CCn2nncc2C1)OC ZINC000639297237 355602611 /nfs/dbraw/zinc/60/26/11/355602611.db2.gz QCGAUAGGULJIGO-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000350151136 355616211 /nfs/dbraw/zinc/61/62/11/355616211.db2.gz XEDDUNNKAABIIM-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000335839002 355568373 /nfs/dbraw/zinc/56/83/73/355568373.db2.gz FKWVLYJXRRMLGI-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000335839002 355568374 /nfs/dbraw/zinc/56/83/74/355568374.db2.gz FKWVLYJXRRMLGI-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000335862156 355624869 /nfs/dbraw/zinc/62/48/69/355624869.db2.gz RFDHOBBHFIMWES-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000335862156 355624872 /nfs/dbraw/zinc/62/48/72/355624872.db2.gz RFDHOBBHFIMWES-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000336009587 134050039 /nfs/dbraw/zinc/05/00/39/134050039.db2.gz SYIFWQRKVUEXRV-SNVBAGLBSA-N 1 2 214.309 0.431 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCC1(O)CC1 ZINC000331477621 181205567 /nfs/dbraw/zinc/20/55/67/181205567.db2.gz LELCKRHHRTYWCA-SFYZADRCSA-N 1 2 216.256 0.849 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCC1(O)CC1 ZINC000331477621 181205570 /nfs/dbraw/zinc/20/55/70/181205570.db2.gz LELCKRHHRTYWCA-SFYZADRCSA-N 1 2 216.256 0.849 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccon1 ZINC000335888400 355680559 /nfs/dbraw/zinc/68/05/59/355680559.db2.gz RUKSTVJLLCXJIG-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccon1 ZINC000335888400 355680562 /nfs/dbraw/zinc/68/05/62/355680562.db2.gz RUKSTVJLLCXJIG-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO Cc1ncsc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639336960 355773302 /nfs/dbraw/zinc/77/33/02/355773302.db2.gz NMLUHOVIDNYRJB-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639336960 355773305 /nfs/dbraw/zinc/77/33/05/355773305.db2.gz NMLUHOVIDNYRJB-JTQLQIEISA-N 1 2 241.360 0.560 20 0 BCADLO COCCc1noc(C[N@H+](C)C[C@@H](C)CO)n1 ZINC000608498376 355826150 /nfs/dbraw/zinc/82/61/50/355826150.db2.gz KZABHRNDJCGTPQ-SECBINFHSA-N 1 2 243.307 0.319 20 0 BCADLO COCCc1noc(C[N@@H+](C)C[C@@H](C)CO)n1 ZINC000608498376 355826154 /nfs/dbraw/zinc/82/61/54/355826154.db2.gz KZABHRNDJCGTPQ-SECBINFHSA-N 1 2 243.307 0.319 20 0 BCADLO COCCc1noc(C[N@H+](C)C[C@H](C)CO)n1 ZINC000608498377 355826279 /nfs/dbraw/zinc/82/62/79/355826279.db2.gz KZABHRNDJCGTPQ-VIFPVBQESA-N 1 2 243.307 0.319 20 0 BCADLO COCCc1noc(C[N@@H+](C)C[C@H](C)CO)n1 ZINC000608498377 355826284 /nfs/dbraw/zinc/82/62/84/355826284.db2.gz KZABHRNDJCGTPQ-VIFPVBQESA-N 1 2 243.307 0.319 20 0 BCADLO C[C@@H]([NH2+]Cc1c[nH]nn1)C1CCOCC1 ZINC000628363262 355847429 /nfs/dbraw/zinc/84/74/29/355847429.db2.gz DGRLHQQQUPXUKD-MRVPVSSYSA-N 1 2 210.281 0.709 20 0 BCADLO C[C@@H]([NH2+]Cc1cn[nH]n1)C1CCOCC1 ZINC000628363262 355847432 /nfs/dbraw/zinc/84/74/32/355847432.db2.gz DGRLHQQQUPXUKD-MRVPVSSYSA-N 1 2 210.281 0.709 20 0 BCADLO COC1CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623254325 355852880 /nfs/dbraw/zinc/85/28/80/355852880.db2.gz YCWRZYWIVSBIJK-INWMGODYSA-N 1 2 235.287 0.349 20 0 BCADLO O=C(COCC(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254086 355853022 /nfs/dbraw/zinc/85/30/22/355853022.db2.gz HATBFSGGGITBIK-ZETCQYMHSA-N 1 2 245.229 0.206 20 0 BCADLO c1c[nH+]c(CNCc2cc3c(cn2)OCCO3)[nH]1 ZINC000639368874 355854450 /nfs/dbraw/zinc/85/44/50/355854450.db2.gz YWUPNPHJGUPHFJ-UHFFFAOYSA-N 1 2 246.270 0.866 20 0 BCADLO O=C(CCCF)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254513 355854954 /nfs/dbraw/zinc/85/49/54/355854954.db2.gz FOELWZQBAYSSDJ-MRVPVSSYSA-N 1 2 211.240 0.674 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623254814 355856053 /nfs/dbraw/zinc/85/60/53/355856053.db2.gz ZNDLEMXSBYLNEZ-PWSUYJOCSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336054552 134065772 /nfs/dbraw/zinc/06/57/72/134065772.db2.gz CEIJHHWKPYZDLN-DTWKUNHWSA-N 1 2 237.303 0.669 20 0 BCADLO COCC1(C2CC2)C[NH+](Cc2ncnn2C)C1 ZINC000639382917 355931843 /nfs/dbraw/zinc/93/18/43/355931843.db2.gz LKLKIQKPADJAKG-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](O)C(F)(F)F ZINC000639387030 355994091 /nfs/dbraw/zinc/99/40/91/355994091.db2.gz MNWYILVFCZVWGE-VDTYLAMSSA-N 1 2 238.213 0.216 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1cocn1 ZINC000351471566 355996231 /nfs/dbraw/zinc/99/62/31/355996231.db2.gz KLPHPHUMYGCFQX-UHFFFAOYSA-N 1 2 226.280 0.378 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1cocn1 ZINC000351471566 355996236 /nfs/dbraw/zinc/99/62/36/355996236.db2.gz KLPHPHUMYGCFQX-UHFFFAOYSA-N 1 2 226.280 0.378 20 0 BCADLO OCc1nnn2c1C[N@@H+](C1CCC1)CC2 ZINC000583634208 355942968 /nfs/dbraw/zinc/94/29/68/355942968.db2.gz NLIIZNQEFVSBIQ-UHFFFAOYSA-N 1 2 208.265 0.139 20 0 BCADLO OCc1nnn2c1C[N@H+](C1CCC1)CC2 ZINC000583634208 355942972 /nfs/dbraw/zinc/94/29/72/355942972.db2.gz NLIIZNQEFVSBIQ-UHFFFAOYSA-N 1 2 208.265 0.139 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351104733 355947690 /nfs/dbraw/zinc/94/76/90/355947690.db2.gz UZIGGCXVZUSYCY-LLVKDONJSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351104733 355947693 /nfs/dbraw/zinc/94/76/93/355947693.db2.gz UZIGGCXVZUSYCY-LLVKDONJSA-N 1 2 228.336 0.868 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351138906 355953449 /nfs/dbraw/zinc/95/34/49/355953449.db2.gz DUZOHFAMGZSDMJ-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351138906 355953452 /nfs/dbraw/zinc/95/34/52/355953452.db2.gz DUZOHFAMGZSDMJ-JTQLQIEISA-N 1 2 214.309 0.479 20 0 BCADLO Cc1nccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)n1 ZINC000351639395 356040278 /nfs/dbraw/zinc/04/02/78/356040278.db2.gz CYKFSRZQAKAEJD-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO Cc1nccc(C[N@H+](C)[C@H]2CCN(C)C2=O)n1 ZINC000351639395 356040279 /nfs/dbraw/zinc/04/02/79/356040279.db2.gz CYKFSRZQAKAEJD-NSHDSACASA-N 1 2 234.303 0.448 20 0 BCADLO NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000336714198 181237398 /nfs/dbraw/zinc/23/73/98/181237398.db2.gz UWEGXUCXXMQVEM-MRVPVSSYSA-N 1 2 246.669 0.587 20 0 BCADLO NC(=O)COc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715128 181239306 /nfs/dbraw/zinc/23/93/06/181239306.db2.gz RAMLVQJMCZOMFA-UHFFFAOYSA-N 1 2 246.270 0.886 20 0 BCADLO COc1ccc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000351597170 356019525 /nfs/dbraw/zinc/01/95/25/356019525.db2.gz PYPHTIKUBMEPJN-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO COc1ccc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000351597170 356019527 /nfs/dbraw/zinc/01/95/27/356019527.db2.gz PYPHTIKUBMEPJN-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201958 181231413 /nfs/dbraw/zinc/23/14/13/181231413.db2.gz PZPHKRCTSYTNPN-XPUUQOCRSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201958 181231415 /nfs/dbraw/zinc/23/14/15/181231415.db2.gz PZPHKRCTSYTNPN-XPUUQOCRSA-N 1 2 240.225 0.249 20 0 BCADLO Cc1nnc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)s1 ZINC000623257594 356027741 /nfs/dbraw/zinc/02/77/41/356027741.db2.gz PCIAFONSTBRDKK-SSDOTTSWSA-N 1 2 249.299 0.398 20 0 BCADLO Cc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)o1 ZINC000623257823 356028532 /nfs/dbraw/zinc/02/85/32/356028532.db2.gz VZZINVHAKASPMB-VIFPVBQESA-N 1 2 246.270 0.843 20 0 BCADLO C(C[N@@H+]1CCc2nn[nH]c2C1)OCC1CC1 ZINC000351614250 356028542 /nfs/dbraw/zinc/02/85/42/356028542.db2.gz FJFGWOUHOJIDLI-UHFFFAOYSA-N 1 2 222.292 0.589 20 0 BCADLO C(C[N@H+]1CCc2nn[nH]c2C1)OCC1CC1 ZINC000351614250 356028546 /nfs/dbraw/zinc/02/85/46/356028546.db2.gz FJFGWOUHOJIDLI-UHFFFAOYSA-N 1 2 222.292 0.589 20 0 BCADLO COC(=O)CC1([NH2+]Cc2noc(C)n2)CC1 ZINC000584354246 356111615 /nfs/dbraw/zinc/11/16/15/356111615.db2.gz GYGIZEGIIIZOPE-UHFFFAOYSA-N 1 2 225.248 0.563 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260636 356118744 /nfs/dbraw/zinc/11/87/44/356118744.db2.gz LLJBYTKZELJTQY-NQMVMOMDSA-N 1 2 205.261 0.580 20 0 BCADLO CC(F)(F)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260484 356120466 /nfs/dbraw/zinc/12/04/66/356120466.db2.gz FMIBTILKVKHGRM-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnnn1C ZINC000351714085 356067829 /nfs/dbraw/zinc/06/78/29/356067829.db2.gz YVEVJVQSUKPMGE-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnnn1C ZINC000351714085 356067832 /nfs/dbraw/zinc/06/78/32/356067832.db2.gz YVEVJVQSUKPMGE-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO COCCN1CC[N@H+](CC[C@H](C)F)CC1=O ZINC000351719270 356069690 /nfs/dbraw/zinc/06/96/90/356069690.db2.gz LSWQUILTCYXIIW-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO COCCN1CC[N@@H+](CC[C@H](C)F)CC1=O ZINC000351719270 356069693 /nfs/dbraw/zinc/06/96/93/356069693.db2.gz LSWQUILTCYXIIW-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1(CCF)CC1 ZINC000351797024 356081528 /nfs/dbraw/zinc/08/15/28/356081528.db2.gz BDQPMNMXKKZLBW-UHFFFAOYSA-N 1 2 244.310 0.575 20 0 BCADLO CN1c2ccccc2C[N@H+](CCO)CC1=O ZINC000623259344 356082838 /nfs/dbraw/zinc/08/28/38/356082838.db2.gz ZWMVVQYZBPLUFR-UHFFFAOYSA-N 1 2 220.272 0.457 20 0 BCADLO CN1c2ccccc2C[N@@H+](CCO)CC1=O ZINC000623259344 356082840 /nfs/dbraw/zinc/08/28/40/356082840.db2.gz ZWMVVQYZBPLUFR-UHFFFAOYSA-N 1 2 220.272 0.457 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623259583 356089419 /nfs/dbraw/zinc/08/94/19/356089419.db2.gz DUQAINOPMDSWBE-KOLCDFICSA-N 1 2 235.287 0.349 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCOCC1 ZINC000623259545 356089454 /nfs/dbraw/zinc/08/94/54/356089454.db2.gz DIDUDRCKZFTFMZ-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO COC(C)(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259689 356090499 /nfs/dbraw/zinc/09/04/99/356090499.db2.gz IJFZFGUFULUKEK-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO CCn1ccnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260179 356096717 /nfs/dbraw/zinc/09/67/17/356096717.db2.gz XIJCQJSVMFHUJL-VIFPVBQESA-N 1 2 245.286 0.454 20 0 BCADLO CC1(C)CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC000623260273 356097456 /nfs/dbraw/zinc/09/74/56/356097456.db2.gz ZVYASUZWLDNASI-ONGXEEELSA-N 1 2 249.314 0.882 20 0 BCADLO Cc1ccn(C)c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261487 356152399 /nfs/dbraw/zinc/15/23/99/356152399.db2.gz UESBJLPVFWCTOD-SNVBAGLBSA-N 1 2 244.298 0.885 20 0 BCADLO COC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623262025 356161885 /nfs/dbraw/zinc/16/18/85/356161885.db2.gz LLBZVQSFWRHSFR-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cncnc1 ZINC000623262216 356162635 /nfs/dbraw/zinc/16/26/35/356162635.db2.gz SVCOICQNJQMYPK-SECBINFHSA-N 1 2 229.243 0.028 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000623262536 356169982 /nfs/dbraw/zinc/16/99/82/356169982.db2.gz FNBQYQVXDDXVOR-HJQYOEGKSA-N 1 2 247.298 0.349 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC000623262920 356172933 /nfs/dbraw/zinc/17/29/33/356172933.db2.gz VPTXFJFYTSYZQC-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cn1 ZINC000351884654 356132359 /nfs/dbraw/zinc/13/23/59/356132359.db2.gz ZXWBUFSHTZEPQB-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cn1 ZINC000351884654 356132365 /nfs/dbraw/zinc/13/23/65/356132365.db2.gz ZXWBUFSHTZEPQB-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1ncc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cn1 ZINC000351884654 356132369 /nfs/dbraw/zinc/13/23/69/356132369.db2.gz ZXWBUFSHTZEPQB-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1ncc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cn1 ZINC000351884654 356132374 /nfs/dbraw/zinc/13/23/74/356132374.db2.gz ZXWBUFSHTZEPQB-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO O=C1[C@H]([NH+]2CCOCC2)CCN1C1CCC1 ZINC000639436290 356213164 /nfs/dbraw/zinc/21/31/64/356213164.db2.gz TUFZHKGLUXBHDA-LLVKDONJSA-N 1 2 224.304 0.472 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435150 356214362 /nfs/dbraw/zinc/21/43/62/356214362.db2.gz XFHGUWAOXJZHNI-ZYHUDNBSSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000639435150 356214365 /nfs/dbraw/zinc/21/43/65/356214365.db2.gz XFHGUWAOXJZHNI-ZYHUDNBSSA-N 1 2 238.331 0.861 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)[nH]1 ZINC000332638555 356223844 /nfs/dbraw/zinc/22/38/44/356223844.db2.gz JSPJEWQVUXCEBX-SFYZADRCSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)[nH]1 ZINC000332638555 356223847 /nfs/dbraw/zinc/22/38/47/356223847.db2.gz JSPJEWQVUXCEBX-SFYZADRCSA-N 1 2 210.281 0.322 20 0 BCADLO Cc1nc(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000623264000 356228785 /nfs/dbraw/zinc/22/87/85/356228785.db2.gz CLXFEHGYDUTDFG-VIFPVBQESA-N 1 2 246.270 0.843 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263107 356198096 /nfs/dbraw/zinc/19/80/96/356198096.db2.gz BZZWCAYGWRZGAR-SKDRFNHKSA-N 1 2 237.303 0.475 20 0 BCADLO CCC[C@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263105 356198139 /nfs/dbraw/zinc/19/81/39/356198139.db2.gz BZZWCAYGWRZGAR-CABZTGNLSA-N 1 2 237.303 0.475 20 0 BCADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639475196 356268286 /nfs/dbraw/zinc/26/82/86/356268286.db2.gz MOLCGJHTQNOOLX-JTQLQIEISA-N 1 2 237.303 0.979 20 0 BCADLO OC[C@@H]1CCC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639475196 356268287 /nfs/dbraw/zinc/26/82/87/356268287.db2.gz MOLCGJHTQNOOLX-JTQLQIEISA-N 1 2 237.303 0.979 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CN(C)C[C@H]2C)[nH]1 ZINC000333509870 356295756 /nfs/dbraw/zinc/29/57/56/356295756.db2.gz DXYAFQFNIGMFMT-BDAKNGLRSA-N 1 2 223.324 0.407 20 0 BCADLO CC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000639481479 356296015 /nfs/dbraw/zinc/29/60/15/356296015.db2.gz WBONANQWWOXBTC-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000639484059 356299846 /nfs/dbraw/zinc/29/98/46/356299846.db2.gz YOBDKQMKMQKCNB-YUMQZZPRSA-N 1 2 225.210 0.963 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000639484059 356299848 /nfs/dbraw/zinc/29/98/48/356299848.db2.gz YOBDKQMKMQKCNB-YUMQZZPRSA-N 1 2 225.210 0.963 20 0 BCADLO CCN1CC(=O)N[C@H]1c1c[nH+]cn1C(C)C ZINC000333617189 356299964 /nfs/dbraw/zinc/29/99/64/356299964.db2.gz SWZGNPAPASBZAW-LLVKDONJSA-N 1 2 222.292 0.914 20 0 BCADLO CCC(F)(F)C[N@H+](CCO)CCCO ZINC000639485401 356301560 /nfs/dbraw/zinc/30/15/60/356301560.db2.gz LHKKPYYKBSOVSY-UHFFFAOYSA-N 1 2 211.252 0.708 20 0 BCADLO CCC(F)(F)C[N@@H+](CCO)CCCO ZINC000639485401 356301561 /nfs/dbraw/zinc/30/15/61/356301561.db2.gz LHKKPYYKBSOVSY-UHFFFAOYSA-N 1 2 211.252 0.708 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617735753 356303973 /nfs/dbraw/zinc/30/39/73/356303973.db2.gz UACVMFZXJRZASH-HBNTYKKESA-N 1 2 244.335 0.247 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617735753 356303976 /nfs/dbraw/zinc/30/39/76/356303976.db2.gz UACVMFZXJRZASH-HBNTYKKESA-N 1 2 244.335 0.247 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CC=CC1 ZINC000623266320 356304722 /nfs/dbraw/zinc/30/47/22/356304722.db2.gz YCPVQMXUSWVGEV-JTQLQIEISA-N 1 2 217.272 0.890 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000639491256 356309309 /nfs/dbraw/zinc/30/93/09/356309309.db2.gz MAUORAPEAPGRJT-SNVBAGLBSA-N 1 2 225.292 0.065 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000639491256 356309311 /nfs/dbraw/zinc/30/93/11/356309311.db2.gz MAUORAPEAPGRJT-SNVBAGLBSA-N 1 2 225.292 0.065 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639493940 356317351 /nfs/dbraw/zinc/31/73/51/356317351.db2.gz GZYXBWIQTXWTOD-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639493940 356317355 /nfs/dbraw/zinc/31/73/55/356317355.db2.gz GZYXBWIQTXWTOD-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000352185707 134098872 /nfs/dbraw/zinc/09/88/72/134098872.db2.gz FRTMDBWVJADQGE-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000352185707 134098873 /nfs/dbraw/zinc/09/88/73/134098873.db2.gz FRTMDBWVJADQGE-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nc(CN2CC[N@@H+](CC)C[C@@H]2C)n[nH]1 ZINC000352664482 356400234 /nfs/dbraw/zinc/40/02/34/356400234.db2.gz BWUXMJKOMLGNBH-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](CC)C[C@@H]2C)n[nH]1 ZINC000352664482 356400238 /nfs/dbraw/zinc/40/02/38/356400238.db2.gz BWUXMJKOMLGNBH-JTQLQIEISA-N 1 2 237.351 0.893 20 0 BCADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)n1cccn1 ZINC000623270654 356385181 /nfs/dbraw/zinc/38/51/81/356385181.db2.gz LLZNVMITKHPLSK-NXEZZACHSA-N 1 2 245.286 0.382 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000352614270 356389412 /nfs/dbraw/zinc/38/94/12/356389412.db2.gz CBJZYLJMFRTWBN-SNVBAGLBSA-N 1 2 249.380 0.209 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000352614270 356389415 /nfs/dbraw/zinc/38/94/15/356389415.db2.gz CBJZYLJMFRTWBN-SNVBAGLBSA-N 1 2 249.380 0.209 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnns1 ZINC000623271615 356389565 /nfs/dbraw/zinc/38/95/65/356389565.db2.gz DENOQBJXTWEVTE-LURJTMIESA-N 1 2 235.272 0.089 20 0 BCADLO O=C(COC1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271925 356390130 /nfs/dbraw/zinc/39/01/30/356390130.db2.gz KOXGXMGGMYHZHF-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]n1 ZINC000623271494 356391594 /nfs/dbraw/zinc/39/15/94/356391594.db2.gz ABQDJEUJALHZGT-MRVPVSSYSA-N 1 2 231.259 0.269 20 0 BCADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]n1 ZINC000623271495 356391736 /nfs/dbraw/zinc/39/17/36/356391736.db2.gz ABQDJEUJALHZGT-QMMMGPOBSA-N 1 2 231.259 0.269 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271497 356391913 /nfs/dbraw/zinc/39/19/13/356391913.db2.gz ACASFLZLEIVGFP-FBIMIBRVSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623275207 356410142 /nfs/dbraw/zinc/41/01/42/356410142.db2.gz CKLTUVONOWKSSZ-RKDXNWHRSA-N 1 2 207.277 0.970 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639551212 356432365 /nfs/dbraw/zinc/43/23/65/356432365.db2.gz HYCZIPZZLBEDHU-WPRPVWTQSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639551212 356432370 /nfs/dbraw/zinc/43/23/70/356432370.db2.gz HYCZIPZZLBEDHU-WPRPVWTQSA-N 1 2 237.303 0.977 20 0 BCADLO C[C@@H]([NH2+]CC(N)=O)c1nc(C(C)(C)C)no1 ZINC000192682019 356429350 /nfs/dbraw/zinc/42/93/50/356429350.db2.gz WYWXVPUMHCSVFG-ZCFIWIBFSA-N 1 2 226.280 0.503 20 0 BCADLO O=C(CC[C@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274595 356408284 /nfs/dbraw/zinc/40/82/84/356408284.db2.gz QBTFJNQGAFBWEW-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO Fc1ccc(NCC[NH+]2CCOCC2)nc1 ZINC000041045332 358505193 /nfs/dbraw/zinc/50/51/93/358505193.db2.gz ZBOPFUCBORGBMU-UHFFFAOYSA-N 1 2 225.267 0.965 20 0 BCADLO C[C@@H](C(F)(F)F)S(=O)(=O)NCC(C)(C)[NH3+] ZINC000420461240 192243857 /nfs/dbraw/zinc/24/38/57/192243857.db2.gz RVORZTXJDLKMCG-YFKPBYRVSA-N 1 2 248.270 0.594 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ncc[nH]1 ZINC000368965723 181275868 /nfs/dbraw/zinc/27/58/68/181275868.db2.gz VMGSKJWWYDTXJQ-YWVKMMECSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ncc[nH]1 ZINC000368965723 181275869 /nfs/dbraw/zinc/27/58/69/181275869.db2.gz VMGSKJWWYDTXJQ-YWVKMMECSA-N 1 2 234.303 0.496 20 0 BCADLO CC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000639555577 356458504 /nfs/dbraw/zinc/45/85/04/356458504.db2.gz VCNJDTKEOQOGHZ-UHFFFAOYSA-N 1 2 200.282 0.279 20 0 BCADLO CC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000639555577 356458506 /nfs/dbraw/zinc/45/85/06/356458506.db2.gz VCNJDTKEOQOGHZ-UHFFFAOYSA-N 1 2 200.282 0.279 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639557726 356462439 /nfs/dbraw/zinc/46/24/39/356462439.db2.gz OABZCCYYAQCLCR-SCZZXKLOSA-N 1 2 237.303 0.835 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639557726 356462440 /nfs/dbraw/zinc/46/24/40/356462440.db2.gz OABZCCYYAQCLCR-SCZZXKLOSA-N 1 2 237.303 0.835 20 0 BCADLO CC(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281801 356466851 /nfs/dbraw/zinc/46/68/51/356466851.db2.gz CCLIGTZYZAHEFC-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO CC(=O)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282349 356467674 /nfs/dbraw/zinc/46/76/74/356467674.db2.gz UNARWSGCJAFFEA-SECBINFHSA-N 1 2 221.260 0.293 20 0 BCADLO CC(=O)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282350 356467851 /nfs/dbraw/zinc/46/78/51/356467851.db2.gz UNARWSGCJAFFEA-VIFPVBQESA-N 1 2 221.260 0.293 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000578092084 366243521 /nfs/dbraw/zinc/24/35/21/366243521.db2.gz SVRUVSZFLWZRCC-NXEZZACHSA-N 1 2 223.276 0.256 20 0 BCADLO Cc1cc(CNS(=O)(=O)N(C)C)cc(C)[nH+]1 ZINC000420705378 192257493 /nfs/dbraw/zinc/25/74/93/192257493.db2.gz YRIHBRBDYULLOT-UHFFFAOYSA-N 1 2 243.332 0.594 20 0 BCADLO CC[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420899510 192268260 /nfs/dbraw/zinc/26/82/60/192268260.db2.gz FULDXRQVZVRNMY-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420899510 192268262 /nfs/dbraw/zinc/26/82/62/192268262.db2.gz FULDXRQVZVRNMY-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@H]1C[C@@H](O)C1 ZINC000420899603 192268346 /nfs/dbraw/zinc/26/83/46/192268346.db2.gz GEJHDWQFNVQJLL-PHIMTYICSA-N 1 2 245.319 0.269 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@H]1C[C@@H](O)C1 ZINC000420899603 192268347 /nfs/dbraw/zinc/26/83/47/192268347.db2.gz GEJHDWQFNVQJLL-PHIMTYICSA-N 1 2 245.319 0.269 20 0 BCADLO CC(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000639588052 356505919 /nfs/dbraw/zinc/50/59/19/356505919.db2.gz NOQCTPBAISPABL-WPRPVWTQSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000639588052 356505923 /nfs/dbraw/zinc/50/59/23/356505923.db2.gz NOQCTPBAISPABL-WPRPVWTQSA-N 1 2 201.266 0.047 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[C@H](O)CC1 ZINC000578106606 366252025 /nfs/dbraw/zinc/25/20/25/366252025.db2.gz WVDZAMAEFWDRCN-XYPYZODXSA-N 1 2 237.303 0.645 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000088094088 491094274 /nfs/dbraw/zinc/09/42/74/491094274.db2.gz VBUUWGQJZDYOSB-LBPRGKRZSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000088094088 491094275 /nfs/dbraw/zinc/09/42/75/491094275.db2.gz VBUUWGQJZDYOSB-LBPRGKRZSA-N 1 2 223.272 0.585 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(C[C@H]2CCOC2)n1 ZINC000350203354 366261454 /nfs/dbraw/zinc/26/14/54/366261454.db2.gz HFUUOTDJVPNLJG-SECBINFHSA-N 1 2 248.286 0.973 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000639616594 356533697 /nfs/dbraw/zinc/53/36/97/356533697.db2.gz BGIXZYPQGRIGOL-SDDRHHMPSA-N 1 2 227.304 0.844 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000639616594 356533701 /nfs/dbraw/zinc/53/37/01/356533701.db2.gz BGIXZYPQGRIGOL-SDDRHHMPSA-N 1 2 227.304 0.844 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H]1COCCN1C ZINC000623711176 356524865 /nfs/dbraw/zinc/52/48/65/356524865.db2.gz WRFHYBRWXZSILM-NSHDSACASA-N 1 2 224.308 0.138 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(C)=O ZINC000639604038 356525012 /nfs/dbraw/zinc/52/50/12/356525012.db2.gz ZJHWLGSQYVJERU-NSHDSACASA-N 1 2 212.293 0.566 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(C)=O ZINC000639604038 356525016 /nfs/dbraw/zinc/52/50/16/356525016.db2.gz ZJHWLGSQYVJERU-NSHDSACASA-N 1 2 212.293 0.566 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000420956279 192280333 /nfs/dbraw/zinc/28/03/33/192280333.db2.gz YUANPONIAFTDLS-GMSGAONNSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000420956279 192280336 /nfs/dbraw/zinc/28/03/36/192280336.db2.gz YUANPONIAFTDLS-GMSGAONNSA-N 1 2 229.711 0.886 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](CO)[C@@H](O)C2)[nH+]c1C ZINC000639609840 356528546 /nfs/dbraw/zinc/52/85/46/356528546.db2.gz MJAGCMMIGBJOLY-QWRGUYRKSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)[nH]c1C ZINC000639609840 356528548 /nfs/dbraw/zinc/52/85/48/356528548.db2.gz MJAGCMMIGBJOLY-QWRGUYRKSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)[nH]c1C ZINC000639609840 356528550 /nfs/dbraw/zinc/52/85/50/356528550.db2.gz MJAGCMMIGBJOLY-QWRGUYRKSA-N 1 2 239.319 0.202 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000639617602 356534849 /nfs/dbraw/zinc/53/48/49/356534849.db2.gz OTEFHUPQXBQNRT-LLVKDONJSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000639617602 356534852 /nfs/dbraw/zinc/53/48/52/356534852.db2.gz OTEFHUPQXBQNRT-LLVKDONJSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000639619291 356535762 /nfs/dbraw/zinc/53/57/62/356535762.db2.gz MFEJNCFLWPYBIN-UHFFFAOYSA-N 1 2 224.264 0.279 20 0 BCADLO CC[C@H]1C[NH+](CC(=O)NC(N)=O)C[C@H](CC)O1 ZINC000420937875 192289287 /nfs/dbraw/zinc/28/92/87/192289287.db2.gz AHNNVIXVPMHYKR-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420983744 192289760 /nfs/dbraw/zinc/28/97/60/192289760.db2.gz CSOHINNARYSIID-LLVKDONJSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420983744 192289763 /nfs/dbraw/zinc/28/97/63/192289763.db2.gz CSOHINNARYSIID-LLVKDONJSA-N 1 2 226.320 0.515 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000639621357 356540742 /nfs/dbraw/zinc/54/07/42/356540742.db2.gz JTDONNIWGZBIPE-MNOVXSKESA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000639621357 356540746 /nfs/dbraw/zinc/54/07/46/356540746.db2.gz JTDONNIWGZBIPE-MNOVXSKESA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000639622258 356542041 /nfs/dbraw/zinc/54/20/41/356542041.db2.gz ZECVAIGRSFCGGK-WDEREUQCSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000639622258 356542047 /nfs/dbraw/zinc/54/20/47/356542047.db2.gz ZECVAIGRSFCGGK-WDEREUQCSA-N 1 2 213.277 0.455 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000623297013 356547974 /nfs/dbraw/zinc/54/79/74/356547974.db2.gz VMVZGSVCPDCFJO-KOLCDFICSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc[nH]1 ZINC000623298174 356551651 /nfs/dbraw/zinc/55/16/51/356551651.db2.gz XIERRMZDMWJUQY-VIFPVBQESA-N 1 2 230.271 0.956 20 0 BCADLO C[NH+](C)Cc1nc(-c2ncccn2)no1 ZINC000350532546 366290211 /nfs/dbraw/zinc/29/02/11/366290211.db2.gz GMSQMCWXPGRXBF-UHFFFAOYSA-N 1 2 205.221 0.588 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ncc[nH]1 ZINC000623298456 356554605 /nfs/dbraw/zinc/55/46/05/356554605.db2.gz BKZXTWIGEJYADE-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO CC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640163068 358505986 /nfs/dbraw/zinc/50/59/86/358505986.db2.gz VKEZROVYLHZSEB-UHFFFAOYSA-N 1 2 240.328 0.712 20 0 BCADLO CC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640163068 358505988 /nfs/dbraw/zinc/50/59/88/358505988.db2.gz VKEZROVYLHZSEB-UHFFFAOYSA-N 1 2 240.328 0.712 20 0 BCADLO CCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335124827 535317369 /nfs/dbraw/zinc/31/73/69/535317369.db2.gz SYSMIQFLZAETLP-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000421025980 192308211 /nfs/dbraw/zinc/30/82/11/192308211.db2.gz RJQANCLPMPKFGV-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000421025980 192308213 /nfs/dbraw/zinc/30/82/13/192308213.db2.gz RJQANCLPMPKFGV-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421029216 192309069 /nfs/dbraw/zinc/30/90/69/192309069.db2.gz IMCTYYFHZAQYGZ-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421029216 192309071 /nfs/dbraw/zinc/30/90/71/192309071.db2.gz IMCTYYFHZAQYGZ-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000421081014 192311944 /nfs/dbraw/zinc/31/19/44/192311944.db2.gz FXCHJOYBLCHRJR-SNVBAGLBSA-N 1 2 223.276 0.704 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H](O)C1CC1 ZINC000623299733 356566376 /nfs/dbraw/zinc/56/63/76/356566376.db2.gz BSXBDMOCHQWBAY-ONGXEEELSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613562637 363491632 /nfs/dbraw/zinc/49/16/32/363491632.db2.gz QKKIASKCBHQCCQ-MRVPVSSYSA-N 1 2 243.270 0.943 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613562637 363491637 /nfs/dbraw/zinc/49/16/37/363491637.db2.gz QKKIASKCBHQCCQ-MRVPVSSYSA-N 1 2 243.270 0.943 20 0 BCADLO Cc1cc(NC(=O)[C@H](O)C2CCC2)cc[nH+]1 ZINC000336213717 134135741 /nfs/dbraw/zinc/13/57/41/134135741.db2.gz WVIGVXSRMVHNQD-LLVKDONJSA-N 1 2 220.272 0.911 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300768 356570813 /nfs/dbraw/zinc/57/08/13/356570813.db2.gz ZKHWWLNQIVUXRV-GXSJLCMTSA-N 1 2 237.303 0.331 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639674053 356590736 /nfs/dbraw/zinc/59/07/36/356590736.db2.gz QDFGHKMXCAFBMN-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639674053 356590739 /nfs/dbraw/zinc/59/07/39/356590739.db2.gz QDFGHKMXCAFBMN-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304463 356591378 /nfs/dbraw/zinc/59/13/78/356591378.db2.gz YXHNWOMZIGPZLC-MWLCHTKSSA-N 1 2 237.303 0.739 20 0 BCADLO OCc1cc[nH+]c(N2CC3(C2)CCCO3)c1 ZINC000630091631 363511620 /nfs/dbraw/zinc/51/16/20/363511620.db2.gz AYPBACMMBQYBLB-UHFFFAOYSA-N 1 2 220.272 0.943 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC000623307601 356611862 /nfs/dbraw/zinc/61/18/62/356611862.db2.gz KFTPWOYLIIHWJG-GWCFXTLKSA-N 1 2 249.314 0.883 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000623304365 356595618 /nfs/dbraw/zinc/59/56/18/356595618.db2.gz WVULCJTUGHDTIT-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CC(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000639684720 356600509 /nfs/dbraw/zinc/60/05/09/356600509.db2.gz KQXMPWMHYUZDPU-VIFPVBQESA-N 1 2 218.247 0.601 20 0 BCADLO CC(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000639684720 356600510 /nfs/dbraw/zinc/60/05/10/356600510.db2.gz KQXMPWMHYUZDPU-VIFPVBQESA-N 1 2 218.247 0.601 20 0 BCADLO Cn1nc2c(c1C[NH2+]Cc1cnn[nH]1)CCCC2 ZINC000631181026 356624054 /nfs/dbraw/zinc/62/40/54/356624054.db2.gz ZEGQZNZQZGYFPB-UHFFFAOYSA-N 1 2 246.318 0.707 20 0 BCADLO CNc1nc(N[C@@H](C)CO)[nH+]c2ccccc21 ZINC000450237609 202103553 /nfs/dbraw/zinc/10/35/53/202103553.db2.gz OLHQIZFZXWQWMK-QMMMGPOBSA-N 1 2 232.287 0.308 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286017 202117874 /nfs/dbraw/zinc/11/78/74/202117874.db2.gz GSUJIQFUPWSIQV-VHSXEESVSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@H](C[N@H+]1C[C@H](C)OC(C)(C)C1)S(C)(=O)=O ZINC000450286017 202117877 /nfs/dbraw/zinc/11/78/77/202117877.db2.gz GSUJIQFUPWSIQV-VHSXEESVSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H](CC(=O)N1CCC[C@H](O)C1)n1cc[nH+]c1 ZINC000578137233 366311205 /nfs/dbraw/zinc/31/12/05/366311205.db2.gz YTXVPFZIQWVLFZ-QWRGUYRKSA-N 1 2 237.303 0.818 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H]1COCCO1)C(C)C ZINC000450339645 202129296 /nfs/dbraw/zinc/12/92/96/202129296.db2.gz RLQFCRFOCTXNFA-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H]1COCCO1)C(C)C ZINC000450339645 202129300 /nfs/dbraw/zinc/12/93/00/202129300.db2.gz RLQFCRFOCTXNFA-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H]1COCCO1)C(C)C ZINC000450339646 202129496 /nfs/dbraw/zinc/12/94/96/202129496.db2.gz RLQFCRFOCTXNFA-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H]1COCCO1)C(C)C ZINC000450339646 202129499 /nfs/dbraw/zinc/12/94/99/202129499.db2.gz RLQFCRFOCTXNFA-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000054172102 363564156 /nfs/dbraw/zinc/56/41/56/363564156.db2.gz LZWFCYUAJIUYHT-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000054172102 363564162 /nfs/dbraw/zinc/56/41/62/363564162.db2.gz LZWFCYUAJIUYHT-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172298 363564296 /nfs/dbraw/zinc/56/42/96/363564296.db2.gz WBDXHLSKEJEVET-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172298 363564297 /nfs/dbraw/zinc/56/42/97/363564297.db2.gz WBDXHLSKEJEVET-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CNc1nc(N[C@@H]2CCOC2)[nH+]c2ccccc21 ZINC000450412213 202158543 /nfs/dbraw/zinc/15/85/43/202158543.db2.gz YXMRHFGYAMRVNG-SECBINFHSA-N 1 2 244.298 0.716 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)nn1 ZINC000639777042 356719649 /nfs/dbraw/zinc/71/96/49/356719649.db2.gz HRTTUICHKHNOBU-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)nn1 ZINC000639777042 356719652 /nfs/dbraw/zinc/71/96/52/356719652.db2.gz HRTTUICHKHNOBU-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO CC(C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623336818 356728740 /nfs/dbraw/zinc/72/87/40/356728740.db2.gz GNLLLTPHQSIMQH-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623336818 356728743 /nfs/dbraw/zinc/72/87/43/356728743.db2.gz GNLLLTPHQSIMQH-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO C[C@H](CC(C)(C)O)NC(=O)CCn1cc[nH+]c1 ZINC000384770816 356744420 /nfs/dbraw/zinc/74/44/20/356744420.db2.gz RSTDKPIXNCPBRR-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCc1nnc(C[N@H+](CCOC)C2CC2)[nH]1 ZINC000354840501 356744866 /nfs/dbraw/zinc/74/48/66/356744866.db2.gz DPPCQOGIYNXCNV-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](CCOC)C2CC2)[nH]1 ZINC000354840501 356744870 /nfs/dbraw/zinc/74/48/70/356744870.db2.gz DPPCQOGIYNXCNV-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)[nH]1 ZINC000355085136 356750233 /nfs/dbraw/zinc/75/02/33/356750233.db2.gz YUIGSWZCEHLDDT-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)[nH]1 ZINC000355085136 356750236 /nfs/dbraw/zinc/75/02/36/356750236.db2.gz YUIGSWZCEHLDDT-DTWKUNHWSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)[nH]1 ZINC000355090175 356750309 /nfs/dbraw/zinc/75/03/09/356750309.db2.gz STXKMFUYFXRSMM-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)[nH]1 ZINC000355090175 356750312 /nfs/dbraw/zinc/75/03/12/356750312.db2.gz STXKMFUYFXRSMM-NXEZZACHSA-N 1 2 238.335 0.960 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345839 363568623 /nfs/dbraw/zinc/56/86/23/363568623.db2.gz YPVYSJUWQNCENU-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3cnn[nH]3)CC2)nn1 ZINC000639819224 356799610 /nfs/dbraw/zinc/79/96/10/356799610.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3cnn[nH]3)CC2)nn1 ZINC000639819224 356799613 /nfs/dbraw/zinc/79/96/13/356799613.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3c[nH]nn3)CC2)nn1 ZINC000639819224 356799616 /nfs/dbraw/zinc/79/96/16/356799616.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3c[nH]nn3)CC2)nn1 ZINC000639819224 356799620 /nfs/dbraw/zinc/79/96/20/356799620.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3cn[nH]n3)CC2)nn1 ZINC000639819224 356799621 /nfs/dbraw/zinc/79/96/21/356799621.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3cn[nH]n3)CC2)nn1 ZINC000639819224 356799624 /nfs/dbraw/zinc/79/96/24/356799624.db2.gz WYJMJEXAWJTQIN-LLVKDONJSA-N 1 2 247.306 0.623 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cncc(C)n2)CCO1 ZINC000639839034 356833710 /nfs/dbraw/zinc/83/37/10/356833710.db2.gz YUUAUAUWYNUBNM-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cncc(C)n2)CCO1 ZINC000639839034 356833714 /nfs/dbraw/zinc/83/37/14/356833714.db2.gz YUUAUAUWYNUBNM-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639839056 356833827 /nfs/dbraw/zinc/83/38/27/356833827.db2.gz HEYPIDYCMARCMX-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639839056 356833830 /nfs/dbraw/zinc/83/38/30/356833830.db2.gz HEYPIDYCMARCMX-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345839 363568630 /nfs/dbraw/zinc/56/86/30/363568630.db2.gz YPVYSJUWQNCENU-UWVGGRQHSA-N 1 2 212.293 0.376 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345929 363568168 /nfs/dbraw/zinc/56/81/68/363568168.db2.gz XMQBJBHNABLCMR-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345929 363568170 /nfs/dbraw/zinc/56/81/70/363568170.db2.gz XMQBJBHNABLCMR-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088776994 356816616 /nfs/dbraw/zinc/81/66/16/356816616.db2.gz AJOYILWHYRMWNB-MRVPVSSYSA-N 1 2 229.305 0.549 20 0 BCADLO CO[C@H]1C[N@H+](CCCN2CCCC2=O)CCO1 ZINC000639834283 356818083 /nfs/dbraw/zinc/81/80/83/356818083.db2.gz VJPUMMRUUQRGOE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO CO[C@H]1C[N@@H+](CCCN2CCCC2=O)CCO1 ZINC000639834283 356818087 /nfs/dbraw/zinc/81/80/87/356818087.db2.gz VJPUMMRUUQRGOE-GFCCVEGCSA-N 1 2 242.319 0.304 20 0 BCADLO CO[C@@H]1C[N@H+](CCCc2nc(C)no2)CCO1 ZINC000639834190 356821145 /nfs/dbraw/zinc/82/11/45/356821145.db2.gz PACHZMFJFWFMJM-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)CCO1 ZINC000639834190 356821149 /nfs/dbraw/zinc/82/11/49/356821149.db2.gz PACHZMFJFWFMJM-NSHDSACASA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000639836623 356822070 /nfs/dbraw/zinc/82/20/70/356822070.db2.gz LUFSOOQNEULFTG-GXSJLCMTSA-N 1 2 238.291 0.070 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000639836623 356822074 /nfs/dbraw/zinc/82/20/74/356822074.db2.gz LUFSOOQNEULFTG-GXSJLCMTSA-N 1 2 238.291 0.070 20 0 BCADLO CO[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000639837134 356822426 /nfs/dbraw/zinc/82/24/26/356822426.db2.gz LNIOAGGNBGWUBQ-NWDGAFQWSA-N 1 2 245.319 0.834 20 0 BCADLO CO[C@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCO1 ZINC000639837134 356822432 /nfs/dbraw/zinc/82/24/32/356822432.db2.gz LNIOAGGNBGWUBQ-NWDGAFQWSA-N 1 2 245.319 0.834 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000639836832 356823756 /nfs/dbraw/zinc/82/37/56/356823756.db2.gz JTVGEEQSAOVQSH-NSHDSACASA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000639836832 356823759 /nfs/dbraw/zinc/82/37/59/356823759.db2.gz JTVGEEQSAOVQSH-NSHDSACASA-N 1 2 215.293 0.860 20 0 BCADLO CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000639835171 356825354 /nfs/dbraw/zinc/82/53/54/356825354.db2.gz BMXMPLZGEMSGID-NEPJUHHUSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000639835171 356825355 /nfs/dbraw/zinc/82/53/55/356825355.db2.gz BMXMPLZGEMSGID-NEPJUHHUSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@@H]1C[N@H+](CCCC(=O)N(C)C)CCO1 ZINC000639837577 356830267 /nfs/dbraw/zinc/83/02/67/356830267.db2.gz NFRLXPNRZWNUFW-NSHDSACASA-N 1 2 230.308 0.160 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCC(=O)N(C)C)CCO1 ZINC000639837577 356830270 /nfs/dbraw/zinc/83/02/70/356830270.db2.gz NFRLXPNRZWNUFW-NSHDSACASA-N 1 2 230.308 0.160 20 0 BCADLO CCC(F)(F)C[N@@H+]1CCC(CO)(CO)C1 ZINC000639837529 356830322 /nfs/dbraw/zinc/83/03/22/356830322.db2.gz QWVCLIIKYRWGAH-UHFFFAOYSA-N 1 2 223.263 0.708 20 0 BCADLO CCC(F)(F)C[N@H+]1CCC(CO)(CO)C1 ZINC000639837529 356830326 /nfs/dbraw/zinc/83/03/26/356830326.db2.gz QWVCLIIKYRWGAH-UHFFFAOYSA-N 1 2 223.263 0.708 20 0 BCADLO CC[NH+]1CCN(C(=O)CCCC(C)=O)CC1 ZINC000357431734 356830353 /nfs/dbraw/zinc/83/03/53/356830353.db2.gz BPXCXMHOLHANKX-UHFFFAOYSA-N 1 2 226.320 0.910 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cncs2)CCO1 ZINC000639839635 356831054 /nfs/dbraw/zinc/83/10/54/356831054.db2.gz SFNCGAUDTWZNAT-SNVBAGLBSA-N 1 2 228.317 0.990 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cncs2)CCO1 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ZINC000188527990 357558558 /nfs/dbraw/zinc/55/85/58/357558558.db2.gz IKSMXNAKSVCEIZ-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000188527990 357558561 /nfs/dbraw/zinc/55/85/61/357558561.db2.gz IKSMXNAKSVCEIZ-MXWKQRLJSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCOCC(F)F ZINC000189116083 357616165 /nfs/dbraw/zinc/61/61/65/357616165.db2.gz YUBYNFIVOUTGOG-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCOCC(F)F ZINC000189116083 357616172 /nfs/dbraw/zinc/61/61/72/357616172.db2.gz YUBYNFIVOUTGOG-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H](C)O1 ZINC000189932305 357676766 /nfs/dbraw/zinc/67/67/66/357676766.db2.gz WCNXFOPSJQQGRR-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@H](C)O1 ZINC000189932305 357676770 /nfs/dbraw/zinc/67/67/70/357676770.db2.gz WCNXFOPSJQQGRR-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189468476 357637519 /nfs/dbraw/zinc/63/75/19/357637519.db2.gz NAWIOHDPAORFIM-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189468476 357637522 /nfs/dbraw/zinc/63/75/22/357637522.db2.gz NAWIOHDPAORFIM-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189468456 357637613 /nfs/dbraw/zinc/63/76/13/357637613.db2.gz NAWIOHDPAORFIM-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189468456 357637615 /nfs/dbraw/zinc/63/76/15/357637615.db2.gz NAWIOHDPAORFIM-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C)O1 ZINC000190554541 357715345 /nfs/dbraw/zinc/71/53/45/357715345.db2.gz BQOXKMKHPLPCBT-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C)O1 ZINC000190554541 357715349 /nfs/dbraw/zinc/71/53/49/357715349.db2.gz BQOXKMKHPLPCBT-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](O)C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000397763853 357682105 /nfs/dbraw/zinc/68/21/05/357682105.db2.gz XJRWVEJSDFPQGK-VHSXEESVSA-N 1 2 225.292 0.406 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000190251300 357697704 /nfs/dbraw/zinc/69/77/04/357697704.db2.gz WUXUTFJWBQPSSM-GFCCVEGCSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000190251300 357697707 /nfs/dbraw/zinc/69/77/07/357697707.db2.gz WUXUTFJWBQPSSM-GFCCVEGCSA-N 1 2 249.358 0.888 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191136059 357752791 /nfs/dbraw/zinc/75/27/91/357752791.db2.gz PYCSGZRIZUAXGI-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191136059 357752793 /nfs/dbraw/zinc/75/27/93/357752793.db2.gz PYCSGZRIZUAXGI-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)CO1 ZINC000191400145 357768666 /nfs/dbraw/zinc/76/86/66/357768666.db2.gz SPQXAXLYZCLHQV-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)[C@H](C)CO1 ZINC000191400145 357768674 /nfs/dbraw/zinc/76/86/74/357768674.db2.gz SPQXAXLYZCLHQV-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191478854 357773817 /nfs/dbraw/zinc/77/38/17/357773817.db2.gz LHGVTQHWKPANRK-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191478854 357773822 /nfs/dbraw/zinc/77/38/22/357773822.db2.gz LHGVTQHWKPANRK-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)NCCC(C)(C)C ZINC000191699370 357800020 /nfs/dbraw/zinc/80/00/20/357800020.db2.gz AGLPLFZWLDETQM-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)NCCC(C)(C)C ZINC000191699370 357800023 /nfs/dbraw/zinc/80/00/23/357800023.db2.gz AGLPLFZWLDETQM-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCCCNC1=O ZINC000192951099 357860967 /nfs/dbraw/zinc/86/09/67/357860967.db2.gz AQHJIEIXTNFEPA-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCCCNC1=O ZINC000192951099 357860970 /nfs/dbraw/zinc/86/09/70/357860970.db2.gz AQHJIEIXTNFEPA-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000234874060 357839776 /nfs/dbraw/zinc/83/97/76/357839776.db2.gz WCCAJLXVFYYJNA-SNVBAGLBSA-N 1 2 242.323 0.130 20 0 BCADLO CC(C)c1nc(N[C@H]2CC(=O)N(C)C2=O)cc[nH+]1 ZINC000192627853 357841452 /nfs/dbraw/zinc/84/14/52/357841452.db2.gz YFRBAPDVAKOEOO-QMMMGPOBSA-N 1 2 248.286 0.769 20 0 BCADLO COC1(C[NH2+]Cc2nnn(C)n2)CCCCC1 ZINC000398134585 357848035 /nfs/dbraw/zinc/84/80/35/357848035.db2.gz XHWRIFDRUZTOIZ-UHFFFAOYSA-N 1 2 239.323 0.649 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C1CC(O)C1 ZINC000546100272 325265200 /nfs/dbraw/zinc/26/52/00/325265200.db2.gz QMTNKEMUJSXXNG-UHFFFAOYSA-N 1 2 239.323 0.428 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C1CC(O)C1 ZINC000546100272 325265203 /nfs/dbraw/zinc/26/52/03/325265203.db2.gz QMTNKEMUJSXXNG-UHFFFAOYSA-N 1 2 239.323 0.428 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000193330325 357877778 /nfs/dbraw/zinc/87/77/78/357877778.db2.gz SLADOPMXCQYOCV-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000193330325 357877783 /nfs/dbraw/zinc/87/77/83/357877783.db2.gz SLADOPMXCQYOCV-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CC(C)(C)O ZINC000086274389 357878893 /nfs/dbraw/zinc/87/88/93/357878893.db2.gz LPVDACMHPKXUIQ-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CC(C)(C)O ZINC000086274389 357878895 /nfs/dbraw/zinc/87/88/95/357878895.db2.gz LPVDACMHPKXUIQ-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1snnc1C ZINC000583325448 357905751 /nfs/dbraw/zinc/90/57/51/357905751.db2.gz MGRZLDNTRIMTKI-UHFFFAOYSA-N 1 2 228.321 0.544 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1snnc1C ZINC000583325448 357905752 /nfs/dbraw/zinc/90/57/52/357905752.db2.gz MGRZLDNTRIMTKI-UHFFFAOYSA-N 1 2 228.321 0.544 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COCC2(C)C)C1 ZINC000584420314 357917110 /nfs/dbraw/zinc/91/71/10/357917110.db2.gz FJNDSMLRRUYEPB-SNVBAGLBSA-N 1 2 240.347 0.869 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@H](CO)OC[C@@H]1C ZINC000168622711 134232528 /nfs/dbraw/zinc/23/25/28/134232528.db2.gz KQOFGESDFJUZGR-WDEREUQCSA-N 1 2 239.319 0.485 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCN1CCOCC1)C(C)C ZINC000035085035 357963220 /nfs/dbraw/zinc/96/32/20/357963220.db2.gz KFWQBMLMTRYWEZ-NSHDSACASA-N 1 2 244.335 0.106 20 0 BCADLO CC(C)(O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525923380 259474961 /nfs/dbraw/zinc/47/49/61/259474961.db2.gz MRBUWQJWKVBWQV-UHFFFAOYSA-N 1 2 223.276 0.427 20 0 BCADLO CC1(C)[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]2CCO[C@@H]21 ZINC000583786272 357941106 /nfs/dbraw/zinc/94/11/06/357941106.db2.gz BEMVHGTUBLSMKK-JLLWLGSASA-N 1 2 249.314 0.813 20 0 BCADLO COCC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610448913 357942435 /nfs/dbraw/zinc/94/24/35/357942435.db2.gz NQEGFDFGEWYJTO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610448913 357942436 /nfs/dbraw/zinc/94/24/36/357942436.db2.gz NQEGFDFGEWYJTO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COCCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000583808944 357955668 /nfs/dbraw/zinc/95/56/68/357955668.db2.gz SECJKAPZCRTLJA-QMMMGPOBSA-N 1 2 229.305 0.296 20 0 BCADLO COC(=O)CCC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000035346618 357984587 /nfs/dbraw/zinc/98/45/87/357984587.db2.gz MCLZILWGHQIIJR-SNVBAGLBSA-N 1 2 231.292 0.727 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639970448 358022419 /nfs/dbraw/zinc/02/24/19/358022419.db2.gz NHFWSSMIIOEYBV-LLVKDONJSA-N 1 2 227.308 0.547 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639970448 358022422 /nfs/dbraw/zinc/02/24/22/358022422.db2.gz NHFWSSMIIOEYBV-LLVKDONJSA-N 1 2 227.308 0.547 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1cn[nH]c1C)OC ZINC000639972571 358031709 /nfs/dbraw/zinc/03/17/09/358031709.db2.gz VXKIVRKTCRFWTQ-NSHDSACASA-N 1 2 227.308 0.811 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1cn[nH]c1C)OC ZINC000639972571 358031713 /nfs/dbraw/zinc/03/17/13/358031713.db2.gz VXKIVRKTCRFWTQ-NSHDSACASA-N 1 2 227.308 0.811 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000051579822 358038871 /nfs/dbraw/zinc/03/88/71/358038871.db2.gz JUSNYXXSDQOPQU-QMMMGPOBSA-N 1 2 228.292 0.148 20 0 BCADLO CC(=O)NCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000583869185 358058655 /nfs/dbraw/zinc/05/86/55/358058655.db2.gz ZXIUYAGYXJICPM-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CC(=O)NCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000583869185 358058656 /nfs/dbraw/zinc/05/86/56/358058656.db2.gz ZXIUYAGYXJICPM-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2COCC[C@H]21 ZINC000584563373 358064280 /nfs/dbraw/zinc/06/42/80/358064280.db2.gz FUURRUFFQYNPOW-VXGBXAGGSA-N 1 2 249.314 0.911 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nccn1CC ZINC000051921517 358101886 /nfs/dbraw/zinc/10/18/86/358101886.db2.gz RQKOKXDEULKHMM-UHFFFAOYSA-N 1 2 224.308 0.519 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000170820469 134253928 /nfs/dbraw/zinc/25/39/28/134253928.db2.gz SOBYGSIOKWYEJX-UHFFFAOYSA-N 1 2 240.307 0.761 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000170820469 134253929 /nfs/dbraw/zinc/25/39/29/134253929.db2.gz SOBYGSIOKWYEJX-UHFFFAOYSA-N 1 2 240.307 0.761 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640045441 358131437 /nfs/dbraw/zinc/13/14/37/358131437.db2.gz CDDMOVQZXLCJDS-JGVFFNPUSA-N 1 2 225.210 0.678 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640045441 358131439 /nfs/dbraw/zinc/13/14/39/358131439.db2.gz CDDMOVQZXLCJDS-JGVFFNPUSA-N 1 2 225.210 0.678 20 0 BCADLO COC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000171430003 134258331 /nfs/dbraw/zinc/25/83/31/134258331.db2.gz VRQFSMOTKJXNLP-SECBINFHSA-N 1 2 211.265 0.282 20 0 BCADLO CC1(F)CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000640071018 358154458 /nfs/dbraw/zinc/15/44/58/358154458.db2.gz UQMVFLBIAQCXCI-UHFFFAOYSA-N 1 2 240.286 0.021 20 0 BCADLO CC(C)(C)OCC[NH+]1CCS(=O)CC1 ZINC000171700612 134260678 /nfs/dbraw/zinc/26/06/78/134260678.db2.gz YKFPQBYZDJIDIV-UHFFFAOYSA-N 1 2 219.350 0.866 20 0 BCADLO COC[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171530166 134259041 /nfs/dbraw/zinc/25/90/41/134259041.db2.gz RVEPBWVNMLBUDG-MNOVXSKESA-N 1 2 244.335 0.106 20 0 BCADLO CC[C@H](C[C@H](C)CO)NC(=O)Cn1cc[nH+]c1 ZINC000584813743 358184186 /nfs/dbraw/zinc/18/41/86/358184186.db2.gz GWHCHKHPLIXHAK-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO CCN(c1nc(C)[nH+]c(N(C)C)n1)C1COC1 ZINC000450653490 202227125 /nfs/dbraw/zinc/22/71/25/202227125.db2.gz PSTULYOJMSLQCC-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO CCN(c1nc(N(C)C)nc(C)[nH+]1)C1COC1 ZINC000450653490 202227129 /nfs/dbraw/zinc/22/71/29/202227129.db2.gz PSTULYOJMSLQCC-UHFFFAOYSA-N 1 2 237.307 0.471 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659198 358218578 /nfs/dbraw/zinc/21/85/78/358218578.db2.gz ZSHSUSSUEOKARV-SECBINFHSA-N 1 2 229.324 0.097 20 0 BCADLO O[C@@H](CN1CCCCCO1)C[NH+]1CCOCC1 ZINC000640122077 358202123 /nfs/dbraw/zinc/20/21/23/358202123.db2.gz NJVJUZAUBRADJZ-GFCCVEGCSA-N 1 2 244.335 0.097 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659198 358218580 /nfs/dbraw/zinc/21/85/80/358218580.db2.gz ZSHSUSSUEOKARV-SECBINFHSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640127480 358206128 /nfs/dbraw/zinc/20/61/28/358206128.db2.gz ZJHDMZFFMFXONZ-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640127480 358206131 /nfs/dbraw/zinc/20/61/31/358206131.db2.gz ZJHDMZFFMFXONZ-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCO ZINC000610829471 358211036 /nfs/dbraw/zinc/21/10/36/358211036.db2.gz ZHIGUMGGGACJAP-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCO ZINC000610829471 358211039 /nfs/dbraw/zinc/21/10/39/358211039.db2.gz ZHIGUMGGGACJAP-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1cscn1 ZINC000583905677 358225015 /nfs/dbraw/zinc/22/50/15/358225015.db2.gz QNZVERZDVRNQFA-UHFFFAOYSA-N 1 2 236.300 0.699 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000292743479 358245842 /nfs/dbraw/zinc/24/58/42/358245842.db2.gz HCMITQJLVBKYSW-VXNVDRBHSA-N 1 2 238.291 0.354 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000292743479 358245845 /nfs/dbraw/zinc/24/58/45/358245845.db2.gz HCMITQJLVBKYSW-VXNVDRBHSA-N 1 2 238.291 0.354 20 0 BCADLO CCC(=O)CCC[N@H+]1CCN(CC)C(=O)C1 ZINC000450743972 202252873 /nfs/dbraw/zinc/25/28/73/202252873.db2.gz KFVXWZHMZSLVPG-UHFFFAOYSA-N 1 2 226.320 0.910 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000450743972 202252876 /nfs/dbraw/zinc/25/28/76/202252876.db2.gz KFVXWZHMZSLVPG-UHFFFAOYSA-N 1 2 226.320 0.910 20 0 BCADLO CCC(CC)([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450740909 202251094 /nfs/dbraw/zinc/25/10/94/202251094.db2.gz WXFSQTRYPUYMEG-JTQLQIEISA-N 1 2 245.319 0.723 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000172878825 134270321 /nfs/dbraw/zinc/27/03/21/134270321.db2.gz QTJHKKVSPXRVNT-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000172878825 134270322 /nfs/dbraw/zinc/27/03/22/134270322.db2.gz QTJHKKVSPXRVNT-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1cnn(C)c1 ZINC000226151710 358334805 /nfs/dbraw/zinc/33/48/05/358334805.db2.gz PHHVIKNITKYWBL-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1cnn(C)c1 ZINC000226151710 358334810 /nfs/dbraw/zinc/33/48/10/358334810.db2.gz PHHVIKNITKYWBL-UHFFFAOYSA-N 1 2 239.319 0.848 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](O)C(C)C ZINC000230059652 358391846 /nfs/dbraw/zinc/39/18/46/358391846.db2.gz RKLCSXVHFNMGFE-SSDOTTSWSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](O)C(C)C ZINC000230059652 358391848 /nfs/dbraw/zinc/39/18/48/358391848.db2.gz RKLCSXVHFNMGFE-SSDOTTSWSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC[S@@](C)=O ZINC000229430193 358403934 /nfs/dbraw/zinc/40/39/34/358403934.db2.gz CXXCXZYCKQAZPP-MRXNPFEDSA-N 1 2 244.320 0.248 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC[S@@](C)=O ZINC000229430193 358403937 /nfs/dbraw/zinc/40/39/37/358403937.db2.gz CXXCXZYCKQAZPP-MRXNPFEDSA-N 1 2 244.320 0.248 20 0 BCADLO Cn1ccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000220007193 491133107 /nfs/dbraw/zinc/13/31/07/491133107.db2.gz REGIYZXALSBOEQ-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384643102 358421098 /nfs/dbraw/zinc/42/10/98/358421098.db2.gz SUJNIAOORCRZDR-RYPBNFRJSA-N 1 2 201.266 0.703 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCCOC ZINC000610999114 358425115 /nfs/dbraw/zinc/42/51/15/358425115.db2.gz WPFNHEBJSBLRJC-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCOC ZINC000610999114 358425116 /nfs/dbraw/zinc/42/51/16/358425116.db2.gz WPFNHEBJSBLRJC-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO CCc1nnc2n1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000069489404 358432713 /nfs/dbraw/zinc/43/27/13/358432713.db2.gz BVAPBUNEDCJJSC-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCc1nnc2n1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000069489404 358432715 /nfs/dbraw/zinc/43/27/15/358432715.db2.gz BVAPBUNEDCJJSC-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CC[C@@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000125937898 358545160 /nfs/dbraw/zinc/54/51/60/358545160.db2.gz CRFASYVQAWXXNN-LLVKDONJSA-N 1 2 247.298 0.764 20 0 BCADLO CCc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000124808902 358528173 /nfs/dbraw/zinc/52/81/73/358528173.db2.gz MAMQRJWOMPFRIG-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000124808902 358528176 /nfs/dbraw/zinc/52/81/76/358528176.db2.gz MAMQRJWOMPFRIG-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO COC(=O)c1nccc(NCCn2cc[nH+]c2)n1 ZINC000090737521 363612652 /nfs/dbraw/zinc/61/26/52/363612652.db2.gz ITFGTGJJFQMAPY-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC1 ZINC000047028943 358583701 /nfs/dbraw/zinc/58/37/01/358583701.db2.gz FAZZCRVGWUGYPN-SECBINFHSA-N 1 2 208.265 0.687 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000175062480 134284203 /nfs/dbraw/zinc/28/42/03/134284203.db2.gz AIFYCMJWPHXICM-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000175062480 134284204 /nfs/dbraw/zinc/28/42/04/134284204.db2.gz AIFYCMJWPHXICM-IUCAKERBSA-N 1 2 241.291 0.734 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000131127433 358661454 /nfs/dbraw/zinc/66/14/54/358661454.db2.gz MRQAMLOFHJAMNV-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000131127433 358661456 /nfs/dbraw/zinc/66/14/56/358661456.db2.gz MRQAMLOFHJAMNV-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccnc(C(N)=O)c1 ZINC000049235965 358676749 /nfs/dbraw/zinc/67/67/49/358676749.db2.gz CKPAJXSYIWSNOX-VIFPVBQESA-N 1 2 245.286 0.878 20 0 BCADLO CC(C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000049348840 358684280 /nfs/dbraw/zinc/68/42/80/358684280.db2.gz JIEYUOLUUOXINB-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC(C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000049348840 358684285 /nfs/dbraw/zinc/68/42/85/358684285.db2.gz JIEYUOLUUOXINB-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCO ZINC000131737591 358691729 /nfs/dbraw/zinc/69/17/29/358691729.db2.gz ZUSGJWAUAGSRTN-NSHDSACASA-N 1 2 210.277 0.391 20 0 BCADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCO ZINC000131737591 358691732 /nfs/dbraw/zinc/69/17/32/358691732.db2.gz ZUSGJWAUAGSRTN-NSHDSACASA-N 1 2 210.277 0.391 20 0 BCADLO C[N@H+](CCO)CC(=O)Nc1cc(F)ccc1F ZINC000049633575 358697084 /nfs/dbraw/zinc/69/70/84/358697084.db2.gz GNMMMFVSYRLPGI-UHFFFAOYSA-N 1 2 244.241 0.827 20 0 BCADLO C[N@@H+](CCO)CC(=O)Nc1cc(F)ccc1F ZINC000049633575 358697086 /nfs/dbraw/zinc/69/70/86/358697086.db2.gz GNMMMFVSYRLPGI-UHFFFAOYSA-N 1 2 244.241 0.827 20 0 BCADLO COc1ncccc1C[N@H+](CC(N)=O)C(C)C ZINC000176453777 134291637 /nfs/dbraw/zinc/29/16/37/134291637.db2.gz QZSPKSDTJLBXJJ-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ncccc1C[N@@H+](CC(N)=O)C(C)C ZINC000176453777 134291638 /nfs/dbraw/zinc/29/16/38/134291638.db2.gz QZSPKSDTJLBXJJ-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)CC(=O)NCC ZINC000052246690 358777159 /nfs/dbraw/zinc/77/71/59/358777159.db2.gz YRKAFKHYSQUYDF-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)CC(=O)NCC ZINC000052246690 358777163 /nfs/dbraw/zinc/77/71/63/358777163.db2.gz YRKAFKHYSQUYDF-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)o1 ZINC000628474162 358784020 /nfs/dbraw/zinc/78/40/20/358784020.db2.gz LMXJGKAFXYWQMP-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)o1 ZINC000628474162 358784024 /nfs/dbraw/zinc/78/40/24/358784024.db2.gz LMXJGKAFXYWQMP-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO CCc1cnc(C[NH2+][C@H](C)C(N)=O)s1 ZINC000308610550 491137403 /nfs/dbraw/zinc/13/74/03/491137403.db2.gz QNFBGQSKNMGHGL-ZCFIWIBFSA-N 1 2 213.306 0.669 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H](O)C1CC1 ZINC000613670501 363618891 /nfs/dbraw/zinc/61/88/91/363618891.db2.gz SNKOGEHPZHVJJU-ONGXEEELSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H](O)C1CC1 ZINC000613670500 363618969 /nfs/dbraw/zinc/61/89/69/363618969.db2.gz SNKOGEHPZHVJJU-MWLCHTKSSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@@H](C[NH2+]Cc1nccs1)S(C)(=O)=O ZINC000308647268 491137608 /nfs/dbraw/zinc/13/76/08/491137608.db2.gz IGMLOITUQOAGBT-ZETCQYMHSA-N 1 2 234.346 0.666 20 0 BCADLO CCN1CC[NH+](Cc2ncccc2O)CC1 ZINC000578263787 366472816 /nfs/dbraw/zinc/47/28/16/366472816.db2.gz VDBWLVDZTJCOMS-UHFFFAOYSA-N 1 2 221.304 0.925 20 0 BCADLO O=C(CCn1cccn1)NCCc1[nH]cc[nH+]1 ZINC000135486681 358841407 /nfs/dbraw/zinc/84/14/07/358841407.db2.gz KMYPKEYRXJOIQE-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135590790 358845686 /nfs/dbraw/zinc/84/56/86/358845686.db2.gz CHZQROSUXVITDD-JTQLQIEISA-N 1 2 236.319 0.475 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135590790 358845690 /nfs/dbraw/zinc/84/56/90/358845690.db2.gz CHZQROSUXVITDD-JTQLQIEISA-N 1 2 236.319 0.475 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000564087963 358856902 /nfs/dbraw/zinc/85/69/02/358856902.db2.gz WLQNYDSLIKCCEB-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000564087965 358856990 /nfs/dbraw/zinc/85/69/90/358856990.db2.gz WLQNYDSLIKCCEB-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1CC(=O)C1)C2 ZINC000136787153 358886331 /nfs/dbraw/zinc/88/63/31/358886331.db2.gz KGCAULBIIOQEJA-SNVBAGLBSA-N 1 2 247.298 0.602 20 0 BCADLO CNC(=O)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180628 358929178 /nfs/dbraw/zinc/92/91/78/358929178.db2.gz MUEOYLDQLKSCFF-UHFFFAOYSA-N 1 2 247.245 0.173 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000618715726 358942511 /nfs/dbraw/zinc/94/25/11/358942511.db2.gz YFZPZTWRXSLCIC-GWCFXTLKSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000618715726 358942512 /nfs/dbraw/zinc/94/25/12/358942512.db2.gz YFZPZTWRXSLCIC-GWCFXTLKSA-N 1 2 249.314 0.837 20 0 BCADLO Cc1occc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475254 358947982 /nfs/dbraw/zinc/94/79/82/358947982.db2.gz LOBSGPOSXMIRRO-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO Cc1occc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475254 358947985 /nfs/dbraw/zinc/94/79/85/358947985.db2.gz LOBSGPOSXMIRRO-LLVKDONJSA-N 1 2 238.287 0.664 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070007723 359037604 /nfs/dbraw/zinc/03/76/04/359037604.db2.gz HBBJACZWUCLEPO-BDAKNGLRSA-N 1 2 224.308 0.595 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ncccc1O ZINC000071203143 359073641 /nfs/dbraw/zinc/07/36/41/359073641.db2.gz WTMLARWMUZLNON-UHFFFAOYSA-N 1 2 232.243 0.783 20 0 BCADLO CCOCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650840 535445314 /nfs/dbraw/zinc/44/53/14/535445314.db2.gz UGQYPMKQXZXWKN-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000073745225 359106091 /nfs/dbraw/zinc/10/60/91/359106091.db2.gz YXSYPOIHXSUSLQ-UHFFFAOYSA-N 1 2 207.277 0.898 20 0 BCADLO CNC(=O)C[NH+](CCCC(C)C)CC(=O)NC ZINC000073805144 359106807 /nfs/dbraw/zinc/10/68/07/359106807.db2.gz GDANTBPCCLBUHF-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO O=C(CCn1cccn1)NCc1[nH]cc[nH+]1 ZINC000070651640 359061367 /nfs/dbraw/zinc/06/13/67/359061367.db2.gz MDONHVCGPJOTHH-UHFFFAOYSA-N 1 2 219.248 0.313 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000247020993 359185319 /nfs/dbraw/zinc/18/53/19/359185319.db2.gz UOBQZZYRBJDCDL-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000247020993 359185321 /nfs/dbraw/zinc/18/53/21/359185321.db2.gz UOBQZZYRBJDCDL-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)CO ZINC000611235510 359188049 /nfs/dbraw/zinc/18/80/49/359188049.db2.gz IRSPHAGZQAUTNW-VHSXEESVSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)CO ZINC000611235510 359188052 /nfs/dbraw/zinc/18/80/52/359188052.db2.gz IRSPHAGZQAUTNW-VHSXEESVSA-N 1 2 247.360 0.595 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)CO ZINC000611236275 359189941 /nfs/dbraw/zinc/18/99/41/359189941.db2.gz DSHMPNLZWBLEGI-NXEZZACHSA-N 1 2 233.308 0.125 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)CO ZINC000611236275 359189945 /nfs/dbraw/zinc/18/99/45/359189945.db2.gz DSHMPNLZWBLEGI-NXEZZACHSA-N 1 2 233.308 0.125 20 0 BCADLO CC(C)(C[NH2+]Cc1ccon1)S(C)(=O)=O ZINC000308879967 491139400 /nfs/dbraw/zinc/13/94/00/491139400.db2.gz UAKRGFAEMHWEOS-UHFFFAOYSA-N 1 2 232.305 0.587 20 0 BCADLO c1c[nH+]c(CN2CCO[C@H]([C@H]3CCCO3)C2)[nH]1 ZINC000247460538 359222541 /nfs/dbraw/zinc/22/25/41/359222541.db2.gz UJLOUXYVFLVMFC-MNOVXSKESA-N 1 2 237.303 0.790 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000169132654 359318087 /nfs/dbraw/zinc/31/80/87/359318087.db2.gz CWNRJMZMAODPDX-NXEZZACHSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000169132654 359318095 /nfs/dbraw/zinc/31/80/95/359318095.db2.gz CWNRJMZMAODPDX-NXEZZACHSA-N 1 2 243.303 0.211 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)Cc1cn[nH]c1 ZINC000611268140 359283547 /nfs/dbraw/zinc/28/35/47/359283547.db2.gz SMJUFKGWYRCVPC-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cn[nH]c1 ZINC000611268140 359283551 /nfs/dbraw/zinc/28/35/51/359283551.db2.gz SMJUFKGWYRCVPC-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1nnc[nH]1 ZINC000611703590 359431949 /nfs/dbraw/zinc/43/19/49/359431949.db2.gz HVGKQLHNRXHRIF-SSDOTTSWSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501509 359383369 /nfs/dbraw/zinc/38/33/69/359383369.db2.gz DDWDAMZRBILBFT-GJMOJQLCSA-N 1 2 231.271 0.250 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501509 359383375 /nfs/dbraw/zinc/38/33/75/359383375.db2.gz DDWDAMZRBILBFT-GJMOJQLCSA-N 1 2 231.271 0.250 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613837938 363662251 /nfs/dbraw/zinc/66/22/51/363662251.db2.gz VHFBYHRFQFRVFL-IUCAKERBSA-N 1 2 237.303 0.666 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613837938 363662257 /nfs/dbraw/zinc/66/22/57/363662257.db2.gz VHFBYHRFQFRVFL-IUCAKERBSA-N 1 2 237.303 0.666 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611855132 359468512 /nfs/dbraw/zinc/46/85/12/359468512.db2.gz XSHBSWDYCAQOOB-IVZWLZJFSA-N 1 2 237.303 0.363 20 0 BCADLO CC/C=C/CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000580435860 359547192 /nfs/dbraw/zinc/54/71/92/359547192.db2.gz JATAPTXWDGKWEX-ONEGZZNKSA-N 1 2 236.319 0.942 20 0 BCADLO CC/C=C/CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000580435860 359547198 /nfs/dbraw/zinc/54/71/98/359547198.db2.gz JATAPTXWDGKWEX-ONEGZZNKSA-N 1 2 236.319 0.942 20 0 BCADLO COCc1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000580461973 359569054 /nfs/dbraw/zinc/56/90/54/359569054.db2.gz LVRHROWSWHKSOX-YUMQZZPRSA-N 1 2 241.291 0.465 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccn2C)C[C@H](CO)O1 ZINC000191532047 359573104 /nfs/dbraw/zinc/57/31/04/359573104.db2.gz GZVUYFVMBOUALE-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H](CO)O1 ZINC000191532047 359573108 /nfs/dbraw/zinc/57/31/08/359573108.db2.gz GZVUYFVMBOUALE-CMPLNLGQSA-N 1 2 224.304 0.607 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn[nH]2)CC[C@@H]1C ZINC000450821347 202276758 /nfs/dbraw/zinc/27/67/58/202276758.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn[nH]2)CC[C@@H]1C ZINC000450821347 202276762 /nfs/dbraw/zinc/27/67/62/202276762.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2c[nH]nn2)CC[C@@H]1C ZINC000450821347 202276764 /nfs/dbraw/zinc/27/67/64/202276764.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2c[nH]nn2)CC[C@@H]1C ZINC000450821347 202276766 /nfs/dbraw/zinc/27/67/66/202276766.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn[nH]n2)CC[C@@H]1C ZINC000450821347 202276770 /nfs/dbraw/zinc/27/67/70/202276770.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn[nH]n2)CC[C@@H]1C ZINC000450821347 202276772 /nfs/dbraw/zinc/27/67/72/202276772.db2.gz AHOLATSDFMAHSR-WCBMZHEXSA-N 1 2 210.281 0.662 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628507540 359795741 /nfs/dbraw/zinc/79/57/41/359795741.db2.gz DIPBTMFUYNBPAR-GARJFASQSA-N 1 2 231.299 0.924 20 0 BCADLO O=C(NCC1(CO)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612382317 359817229 /nfs/dbraw/zinc/81/72/29/359817229.db2.gz PNLISRMUMNJGSH-VIFPVBQESA-N 1 2 249.314 0.403 20 0 BCADLO O=C(NCC1(CO)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612382317 359817232 /nfs/dbraw/zinc/81/72/32/359817232.db2.gz PNLISRMUMNJGSH-VIFPVBQESA-N 1 2 249.314 0.403 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000578379822 366546348 /nfs/dbraw/zinc/54/63/48/366546348.db2.gz IIRWJUYCHAIGLU-JTQLQIEISA-N 1 2 238.335 0.983 20 0 BCADLO CCN(C)C(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000578379822 366546353 /nfs/dbraw/zinc/54/63/53/366546353.db2.gz IIRWJUYCHAIGLU-JTQLQIEISA-N 1 2 238.335 0.983 20 0 BCADLO CC[C@H](Nc1cc[nH+]c(C)n1)C(=O)NC ZINC000450935614 202314955 /nfs/dbraw/zinc/31/49/55/202314955.db2.gz DGSIRLRVDDZZRM-QMMMGPOBSA-N 1 2 208.265 0.722 20 0 BCADLO CC[C@H](Nc1cc[nH+]c2ccncc12)C(=O)NC ZINC000450944264 202315989 /nfs/dbraw/zinc/31/59/89/202315989.db2.gz SGIXRFNOWRZYMF-JTQLQIEISA-N 1 2 244.298 0.988 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C1CC1 ZINC000612351305 359804130 /nfs/dbraw/zinc/80/41/30/359804130.db2.gz UJAIZCKCKKGYIU-CKYFFXLPSA-N 1 2 249.314 0.411 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000612362710 359810968 /nfs/dbraw/zinc/81/09/68/359810968.db2.gz OJGKGUPAMWKVRL-XIZWVBILSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000612362710 359810969 /nfs/dbraw/zinc/81/09/69/359810969.db2.gz OJGKGUPAMWKVRL-XIZWVBILSA-N 1 2 246.376 0.354 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450986301 202327278 /nfs/dbraw/zinc/32/72/78/202327278.db2.gz OHVNSPHQKMPFRQ-DTWKUNHWSA-N 1 2 240.307 0.808 20 0 BCADLO CC[C@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450986301 202327281 /nfs/dbraw/zinc/32/72/81/202327281.db2.gz OHVNSPHQKMPFRQ-DTWKUNHWSA-N 1 2 240.307 0.808 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCNC1=O)C(C)C ZINC000578495713 366579322 /nfs/dbraw/zinc/57/93/22/366579322.db2.gz VOWMFLYPNYORFU-ZJUUUORDSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612448314 359856363 /nfs/dbraw/zinc/85/63/63/359856363.db2.gz VKHIKFQRPMDDQW-DTWKUNHWSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612448314 359856366 /nfs/dbraw/zinc/85/63/66/359856366.db2.gz VKHIKFQRPMDDQW-DTWKUNHWSA-N 1 2 237.303 0.259 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccn(C)n1 ZINC000578515086 366585885 /nfs/dbraw/zinc/58/58/85/366585885.db2.gz JPHXLXWITJPWPG-VIFPVBQESA-N 1 2 233.275 0.494 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612459338 359851068 /nfs/dbraw/zinc/85/10/68/359851068.db2.gz QLWQGFKWNQAIPC-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612459338 359851073 /nfs/dbraw/zinc/85/10/73/359851073.db2.gz QLWQGFKWNQAIPC-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000451156875 202368220 /nfs/dbraw/zinc/36/82/20/202368220.db2.gz GLTRBPYRZWLKAQ-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000451156875 202368224 /nfs/dbraw/zinc/36/82/24/202368224.db2.gz GLTRBPYRZWLKAQ-MRVPVSSYSA-N 1 2 228.296 0.338 20 0 BCADLO CC(C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451110842 202355637 /nfs/dbraw/zinc/35/56/37/202355637.db2.gz DGMQEENYAHEKNR-UHFFFAOYSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451110842 202355640 /nfs/dbraw/zinc/35/56/40/202355640.db2.gz DGMQEENYAHEKNR-UHFFFAOYSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)N(CC[N@@H+]1CCOC[C@@H]1C)C1COC1 ZINC000451119523 202358478 /nfs/dbraw/zinc/35/84/78/202358478.db2.gz FPQYKUOHJKACOA-LBPRGKRZSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)N(CC[N@H+]1CCOC[C@@H]1C)C1COC1 ZINC000451119523 202358482 /nfs/dbraw/zinc/35/84/82/202358482.db2.gz FPQYKUOHJKACOA-LBPRGKRZSA-N 1 2 242.363 0.816 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628514117 359882302 /nfs/dbraw/zinc/88/23/02/359882302.db2.gz LOODGDMDQKYUIA-OUAUKWLOSA-N 1 2 224.304 0.185 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628514117 359882306 /nfs/dbraw/zinc/88/23/06/359882306.db2.gz LOODGDMDQKYUIA-OUAUKWLOSA-N 1 2 224.304 0.185 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC[C@H]1CCCO1 ZINC000451180375 202371236 /nfs/dbraw/zinc/37/12/36/202371236.db2.gz CUMKGARCBSQGIU-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC[C@H]1CCCO1 ZINC000451180375 202371239 /nfs/dbraw/zinc/37/12/39/202371239.db2.gz CUMKGARCBSQGIU-NXEZZACHSA-N 1 2 230.283 0.325 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195929 202375212 /nfs/dbraw/zinc/37/52/12/202375212.db2.gz YKAPIVGQXCCAKA-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195929 202375215 /nfs/dbraw/zinc/37/52/15/202375215.db2.gz YKAPIVGQXCCAKA-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451191813 202375891 /nfs/dbraw/zinc/37/58/91/202375891.db2.gz RTSZPPQGPGSWRV-MRVPVSSYSA-N 1 2 231.271 0.266 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451191813 202375894 /nfs/dbraw/zinc/37/58/94/202375894.db2.gz RTSZPPQGPGSWRV-MRVPVSSYSA-N 1 2 231.271 0.266 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](F)C1 ZINC000451193342 202376532 /nfs/dbraw/zinc/37/65/32/202376532.db2.gz UUFHDMMZBXZRRT-VWYCJHECSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](F)C1 ZINC000451193342 202376536 /nfs/dbraw/zinc/37/65/36/202376536.db2.gz UUFHDMMZBXZRRT-VWYCJHECSA-N 1 2 244.310 0.714 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@@H](O)C2)c(C)s1 ZINC000451232695 202383639 /nfs/dbraw/zinc/38/36/39/202383639.db2.gz GIKYHQXTUVLRBQ-JTQLQIEISA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@@H](O)C2)c(C)s1 ZINC000451232695 202383641 /nfs/dbraw/zinc/38/36/41/202383641.db2.gz GIKYHQXTUVLRBQ-JTQLQIEISA-N 1 2 242.344 0.953 20 0 BCADLO CCN(CC[N@@H+]1CCO[C@@H](C)C1)C1COC1 ZINC000451283343 202394311 /nfs/dbraw/zinc/39/43/11/202394311.db2.gz GBAKLGREPZJHSE-NSHDSACASA-N 1 2 228.336 0.428 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@H]2CCCC2=O)C1 ZINC000578547152 366597476 /nfs/dbraw/zinc/59/74/76/366597476.db2.gz WTYGMKJCCMKRDI-SNVBAGLBSA-N 1 2 238.331 0.814 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000451255768 202388637 /nfs/dbraw/zinc/38/86/37/202388637.db2.gz RPEIRUOVHJHAJL-UHFFFAOYSA-N 1 2 242.323 0.586 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000451255768 202388641 /nfs/dbraw/zinc/38/86/41/202388641.db2.gz RPEIRUOVHJHAJL-UHFFFAOYSA-N 1 2 242.323 0.586 20 0 BCADLO Cc1cc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000578756934 366639402 /nfs/dbraw/zinc/63/94/02/366639402.db2.gz DFGHQDRBWDKALD-VIFPVBQESA-N 1 2 248.286 0.927 20 0 BCADLO COCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000578784334 366648884 /nfs/dbraw/zinc/64/88/84/366648884.db2.gz IEQRYZURMZVHAQ-SECBINFHSA-N 1 2 225.292 0.693 20 0 BCADLO COCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000578784334 366648887 /nfs/dbraw/zinc/64/88/87/366648887.db2.gz IEQRYZURMZVHAQ-SECBINFHSA-N 1 2 225.292 0.693 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000612638478 359961375 /nfs/dbraw/zinc/96/13/75/359961375.db2.gz SCMGZDIEBADRBT-LPEHRKFASA-N 1 2 235.287 0.085 20 0 BCADLO Cn1ncnc1C[NH2+][C@H](CO)c1ccccc1 ZINC000088572223 359967162 /nfs/dbraw/zinc/96/71/62/359967162.db2.gz KVIVNVPAPGLAMW-LLVKDONJSA-N 1 2 232.287 0.638 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H](C(=O)OC)C1CC1 ZINC000088796058 359979772 /nfs/dbraw/zinc/97/97/72/359979772.db2.gz QAOMTEVQUPTVTH-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H](C(=O)OC)C1CC1 ZINC000088796058 359979773 /nfs/dbraw/zinc/97/97/73/359979773.db2.gz QAOMTEVQUPTVTH-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](O)C1CC1 ZINC000612697686 360014412 /nfs/dbraw/zinc/01/44/12/360014412.db2.gz XYFDOJIWASSVAW-KWQFWETISA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](O)C1CC1 ZINC000612697686 360014414 /nfs/dbraw/zinc/01/44/14/360014414.db2.gz XYFDOJIWASSVAW-KWQFWETISA-N 1 2 235.287 0.154 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678957 360033845 /nfs/dbraw/zinc/03/38/45/360033845.db2.gz ZKBJBLBBRRZXKK-NXEZZACHSA-N 1 2 240.347 0.746 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089680199 360034704 /nfs/dbraw/zinc/03/47/04/360034704.db2.gz VWVQJXDZQYRZAC-SNVBAGLBSA-N 1 2 240.347 0.604 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(=O)OC)C(C)C ZINC000083399608 325566589 /nfs/dbraw/zinc/56/65/89/325566589.db2.gz RTFGEGAAMUBXLA-BDAKNGLRSA-N 1 2 203.282 0.809 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090010026 360054143 /nfs/dbraw/zinc/05/41/43/360054143.db2.gz FHHJIMDNYALJRP-LBPRGKRZSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090010026 360054145 /nfs/dbraw/zinc/05/41/45/360054145.db2.gz FHHJIMDNYALJRP-LBPRGKRZSA-N 1 2 240.347 0.869 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009175 360054240 /nfs/dbraw/zinc/05/42/40/360054240.db2.gz AEXUAOYNHBNVCB-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009175 360054241 /nfs/dbraw/zinc/05/42/41/360054241.db2.gz AEXUAOYNHBNVCB-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090010025 360054355 /nfs/dbraw/zinc/05/43/55/360054355.db2.gz FHHJIMDNYALJRP-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090010025 360054357 /nfs/dbraw/zinc/05/43/57/360054357.db2.gz FHHJIMDNYALJRP-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO CCCCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658147 360082157 /nfs/dbraw/zinc/08/21/57/360082157.db2.gz MFQRFHQXQCWNGX-UHFFFAOYSA-N 1 2 238.335 0.978 20 0 BCADLO CCCCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658147 360082163 /nfs/dbraw/zinc/08/21/63/360082163.db2.gz MFQRFHQXQCWNGX-UHFFFAOYSA-N 1 2 238.335 0.978 20 0 BCADLO CCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090660323 360082201 /nfs/dbraw/zinc/08/22/01/360082201.db2.gz CTHIHSYCYJLSHZ-UHFFFAOYSA-N 1 2 210.281 0.198 20 0 BCADLO CCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090660323 360082204 /nfs/dbraw/zinc/08/22/04/360082204.db2.gz CTHIHSYCYJLSHZ-UHFFFAOYSA-N 1 2 210.281 0.198 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CC=CCC1 ZINC000090698844 360084195 /nfs/dbraw/zinc/08/41/95/360084195.db2.gz KABOZMTUIAWHCS-QWHCGFSZSA-N 1 2 249.358 0.459 20 0 BCADLO CC[C@H]1COCC[N@@H+]1Cc1cnnn1C ZINC000091980210 360140227 /nfs/dbraw/zinc/14/02/27/360140227.db2.gz MWWNSPINEPXCMA-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@H]1COCC[N@H+]1Cc1cnnn1C ZINC000091980210 360140230 /nfs/dbraw/zinc/14/02/30/360140230.db2.gz MWWNSPINEPXCMA-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccnn1C ZINC000092042277 360147803 /nfs/dbraw/zinc/14/78/03/360147803.db2.gz SOBDXFASZMHVFA-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccnn1C ZINC000092042277 360147808 /nfs/dbraw/zinc/14/78/08/360147808.db2.gz SOBDXFASZMHVFA-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N1CCO[C@@H](C)C1 ZINC000091506409 360118894 /nfs/dbraw/zinc/11/88/94/360118894.db2.gz OIIDEUMAGHDKTL-RYUDHWBXSA-N 1 2 228.336 0.428 20 0 BCADLO CC[NH+](CC)[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587801 360120712 /nfs/dbraw/zinc/12/07/12/360120712.db2.gz ZCXHNYPZQATDJL-VIFPVBQESA-N 1 2 239.323 0.014 20 0 BCADLO C[C@H](NC[C@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000091667110 360122219 /nfs/dbraw/zinc/12/22/19/360122219.db2.gz ZSEKBSUNWPONRL-QWRGUYRKSA-N 1 2 238.335 0.401 20 0 BCADLO C[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000091667110 360122223 /nfs/dbraw/zinc/12/22/23/360122223.db2.gz ZSEKBSUNWPONRL-QWRGUYRKSA-N 1 2 238.335 0.401 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612860914 360126228 /nfs/dbraw/zinc/12/62/28/360126228.db2.gz NQZGEZGMDQYXMA-IUCAKERBSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612860914 360126232 /nfs/dbraw/zinc/12/62/32/360126232.db2.gz NQZGEZGMDQYXMA-IUCAKERBSA-N 1 2 235.287 0.420 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@@]2(O)C[C@H]2C1)n1cc[nH+]c1 ZINC000618760454 360160307 /nfs/dbraw/zinc/16/03/07/360160307.db2.gz MDEILHVYHROORZ-GMXVVIOVSA-N 1 2 249.314 0.818 20 0 BCADLO CC[NH+](CC)CCSCc1n[nH]c(=O)[nH]1 ZINC000092870367 360203937 /nfs/dbraw/zinc/20/39/37/360203937.db2.gz BAWOPXODPAQLRK-UHFFFAOYSA-N 1 2 230.337 0.673 20 0 BCADLO CCC[N@H+](CC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000612912955 360183143 /nfs/dbraw/zinc/18/31/43/360183143.db2.gz CFSYJYONMOQPDC-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CCC[N@@H+](CC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000612912955 360183150 /nfs/dbraw/zinc/18/31/50/360183150.db2.gz CFSYJYONMOQPDC-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785829 360354213 /nfs/dbraw/zinc/35/42/13/360354213.db2.gz OMGLCIQPZOCMPG-SECBINFHSA-N 1 2 207.277 0.972 20 0 BCADLO COC(=O)CCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000094866345 360324182 /nfs/dbraw/zinc/32/41/82/360324182.db2.gz KRAIVTAUIDSPQL-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)CCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000094866345 360324185 /nfs/dbraw/zinc/32/41/85/360324185.db2.gz KRAIVTAUIDSPQL-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COc1cc(NC(=O)CCc2c[nH+]cn2C)[nH]n1 ZINC000628627932 360584811 /nfs/dbraw/zinc/58/48/11/360584811.db2.gz KMAZGEWZLRVAAJ-UHFFFAOYSA-N 1 2 249.274 0.723 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCO2 ZINC000628790762 360655487 /nfs/dbraw/zinc/65/54/87/360655487.db2.gz AYBFXFWYTWASKG-SNVBAGLBSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCCO2 ZINC000628790762 360655491 /nfs/dbraw/zinc/65/54/91/360655491.db2.gz AYBFXFWYTWASKG-SNVBAGLBSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CCCO2 ZINC000628789399 360658984 /nfs/dbraw/zinc/65/89/84/360658984.db2.gz CHUVTAOLNPYFFM-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(C[NH+]1CCOCC1)N(C1CC1)C1CC1 ZINC000628815200 360666966 /nfs/dbraw/zinc/66/69/66/360666966.db2.gz MFFTYWLIRGSWHN-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CC1(F)F ZINC000628912272 360744853 /nfs/dbraw/zinc/74/48/53/360744853.db2.gz HEMSWIPTIJSEKI-WPRPVWTQSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CC1(F)F ZINC000628912272 360744854 /nfs/dbraw/zinc/74/48/54/360744854.db2.gz HEMSWIPTIJSEKI-WPRPVWTQSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000628911945 360745031 /nfs/dbraw/zinc/74/50/31/360745031.db2.gz DMRNVDBNYXCCPW-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000628911945 360745036 /nfs/dbraw/zinc/74/50/36/360745036.db2.gz DMRNVDBNYXCCPW-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC(C1)C2 ZINC000628912839 360745960 /nfs/dbraw/zinc/74/59/60/360745960.db2.gz ZVQQGMPWWFNYLH-YZRBJQDESA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C12CC(C1)C2 ZINC000628912839 360745964 /nfs/dbraw/zinc/74/59/64/360745964.db2.gz ZVQQGMPWWFNYLH-YZRBJQDESA-N 1 2 224.304 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCCO1 ZINC000628913310 360746593 /nfs/dbraw/zinc/74/65/93/360746593.db2.gz PGMITGNLSVWTOH-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCCO1 ZINC000628913310 360746596 /nfs/dbraw/zinc/74/65/96/360746596.db2.gz PGMITGNLSVWTOH-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914322 360747285 /nfs/dbraw/zinc/74/72/85/360747285.db2.gz HZQQDXDIMCNLPE-KXUCPTDWSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914322 360747290 /nfs/dbraw/zinc/74/72/90/360747290.db2.gz HZQQDXDIMCNLPE-KXUCPTDWSA-N 1 2 212.293 0.089 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000628911482 360747690 /nfs/dbraw/zinc/74/76/90/360747690.db2.gz DWTWJFILKDSEKN-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000628911482 360747697 /nfs/dbraw/zinc/74/76/97/360747697.db2.gz DWTWJFILKDSEKN-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC000628916885 360748481 /nfs/dbraw/zinc/74/84/81/360748481.db2.gz GBMHBRDKNRKORD-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC000628916885 360748486 /nfs/dbraw/zinc/74/84/86/360748486.db2.gz GBMHBRDKNRKORD-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC000628915495 360749881 /nfs/dbraw/zinc/74/98/81/360749881.db2.gz WYVHECGEZUWKHR-HTQZYQBOSA-N 1 2 234.246 0.088 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC000628915495 360749885 /nfs/dbraw/zinc/74/98/85/360749885.db2.gz WYVHECGEZUWKHR-HTQZYQBOSA-N 1 2 234.246 0.088 20 0 BCADLO COC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918606 360751352 /nfs/dbraw/zinc/75/13/52/360751352.db2.gz NOSRNTVGBKLPMU-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918606 360751356 /nfs/dbraw/zinc/75/13/56/360751356.db2.gz NOSRNTVGBKLPMU-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918603 360751785 /nfs/dbraw/zinc/75/17/85/360751785.db2.gz NOSRNTVGBKLPMU-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918603 360751789 /nfs/dbraw/zinc/75/17/89/360751789.db2.gz NOSRNTVGBKLPMU-GHMZBOCLSA-N 1 2 244.335 0.106 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000628917513 360752823 /nfs/dbraw/zinc/75/28/23/360752823.db2.gz JJOCDIAVSVYCIL-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000628917513 360752828 /nfs/dbraw/zinc/75/28/28/360752828.db2.gz JJOCDIAVSVYCIL-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO Cn1cccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920688 360753835 /nfs/dbraw/zinc/75/38/35/360753835.db2.gz FDPFYVKMJNHVOF-SNVBAGLBSA-N 1 2 237.303 0.086 20 0 BCADLO Cn1cccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920688 360753840 /nfs/dbraw/zinc/75/38/40/360753840.db2.gz FDPFYVKMJNHVOF-SNVBAGLBSA-N 1 2 237.303 0.086 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920993 360754191 /nfs/dbraw/zinc/75/41/91/360754191.db2.gz ZRTWJELHGAXWPP-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C)OCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920993 360754194 /nfs/dbraw/zinc/75/41/94/360754194.db2.gz ZRTWJELHGAXWPP-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO Cn1cccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920686 360754295 /nfs/dbraw/zinc/75/42/95/360754295.db2.gz FDPFYVKMJNHVOF-JTQLQIEISA-N 1 2 237.303 0.086 20 0 BCADLO Cn1cccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920686 360754300 /nfs/dbraw/zinc/75/43/00/360754300.db2.gz FDPFYVKMJNHVOF-JTQLQIEISA-N 1 2 237.303 0.086 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC000628922786 360755431 /nfs/dbraw/zinc/75/54/31/360755431.db2.gz PGMITGNLSVWTOH-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC000628922786 360755434 /nfs/dbraw/zinc/75/54/34/360755434.db2.gz PGMITGNLSVWTOH-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CCC(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922118 360755634 /nfs/dbraw/zinc/75/56/34/360755634.db2.gz LPRRNWXMLOBPQJ-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CCC(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922118 360755639 /nfs/dbraw/zinc/75/56/39/360755639.db2.gz LPRRNWXMLOBPQJ-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000628920237 360756308 /nfs/dbraw/zinc/75/63/08/360756308.db2.gz XKMULYSNVKJOQK-SNVBAGLBSA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000628920237 360756310 /nfs/dbraw/zinc/75/63/10/360756310.db2.gz XKMULYSNVKJOQK-SNVBAGLBSA-N 1 2 223.276 0.075 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC000628926625 360757928 /nfs/dbraw/zinc/75/79/28/360757928.db2.gz VEAIKIBYDFJUDZ-LLVKDONJSA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC000628926625 360757931 /nfs/dbraw/zinc/75/79/31/360757931.db2.gz VEAIKIBYDFJUDZ-LLVKDONJSA-N 1 2 235.287 0.142 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000628924816 360758364 /nfs/dbraw/zinc/75/83/64/360758364.db2.gz GRPAHQSTMMWLGU-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000628924816 360758365 /nfs/dbraw/zinc/75/83/65/360758365.db2.gz GRPAHQSTMMWLGU-LBPRGKRZSA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000628925164 360758505 /nfs/dbraw/zinc/75/85/05/360758505.db2.gz HUIFYHFIKUNXKQ-NEPJUHHUSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000628925164 360758508 /nfs/dbraw/zinc/75/85/08/360758508.db2.gz HUIFYHFIKUNXKQ-NEPJUHHUSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC000628925868 360758625 /nfs/dbraw/zinc/75/86/25/360758625.db2.gz NPSQSEBBMKENIY-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC000628925868 360758629 /nfs/dbraw/zinc/75/86/29/360758629.db2.gz NPSQSEBBMKENIY-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)C ZINC000628926924 360759252 /nfs/dbraw/zinc/75/92/52/360759252.db2.gz VJACGKOKMJVPHM-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)C ZINC000628926924 360759257 /nfs/dbraw/zinc/75/92/57/360759257.db2.gz VJACGKOKMJVPHM-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC000628926907 360759554 /nfs/dbraw/zinc/75/95/54/360759554.db2.gz YPNBOOQCHWNIDU-JTQLQIEISA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC000628926907 360759557 /nfs/dbraw/zinc/75/95/57/360759557.db2.gz YPNBOOQCHWNIDU-JTQLQIEISA-N 1 2 235.287 0.142 20 0 BCADLO C/C=C\CNC(=O)[C@H]1COCC[N@H+]1CC ZINC000629036667 360803388 /nfs/dbraw/zinc/80/33/88/360803388.db2.gz WYRKGSBBSGJOEY-TZGMSPROSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C\CNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000629036667 360803393 /nfs/dbraw/zinc/80/33/93/360803393.db2.gz WYRKGSBBSGJOEY-TZGMSPROSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/CNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000629036662 360803465 /nfs/dbraw/zinc/80/34/65/360803465.db2.gz WYRKGSBBSGJOEY-GFAPAMAISA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C/CNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000629036662 360803470 /nfs/dbraw/zinc/80/34/70/360803470.db2.gz WYRKGSBBSGJOEY-GFAPAMAISA-N 1 2 212.293 0.399 20 0 BCADLO COC(=O)C1([NH2+]CCO)CCCCCC1 ZINC000154786488 360850440 /nfs/dbraw/zinc/85/04/40/360850440.db2.gz HFTCERRVQXWDSH-UHFFFAOYSA-N 1 2 215.293 0.834 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629122994 360888430 /nfs/dbraw/zinc/88/84/30/360888430.db2.gz AFOXTUBEPMWDFM-JQWIXIFHSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629122994 360888433 /nfs/dbraw/zinc/88/84/33/360888433.db2.gz AFOXTUBEPMWDFM-JQWIXIFHSA-N 1 2 249.314 0.944 20 0 BCADLO OCC[N@@H+](Cc1nnnn1C1CC1)CC1CC1 ZINC000064516515 360937246 /nfs/dbraw/zinc/93/72/46/360937246.db2.gz NYHKPZUKTRIFGA-UHFFFAOYSA-N 1 2 237.307 0.212 20 0 BCADLO OCC[N@H+](Cc1nnnn1C1CC1)CC1CC1 ZINC000064516515 360937252 /nfs/dbraw/zinc/93/72/52/360937252.db2.gz NYHKPZUKTRIFGA-UHFFFAOYSA-N 1 2 237.307 0.212 20 0 BCADLO CCc1cc(NCc2nnn(C)n2)nc[nH+]1 ZINC000309628596 491153130 /nfs/dbraw/zinc/15/31/30/491153130.db2.gz HEJOVJNBBHAPMQ-UHFFFAOYSA-N 1 2 219.252 0.175 20 0 BCADLO CC1(NC(=O)Cc2cn3ccccc3[nH+]2)COC1 ZINC000634187761 360999295 /nfs/dbraw/zinc/99/92/95/360999295.db2.gz YWVBRLBVKQECBP-UHFFFAOYSA-N 1 2 245.282 0.782 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613202080 360991066 /nfs/dbraw/zinc/99/10/66/360991066.db2.gz KLWFJHKFBAVBJS-OPRDCNLKSA-N 1 2 237.303 0.675 20 0 BCADLO C[C@@H]1CCN(C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000632578097 361033263 /nfs/dbraw/zinc/03/32/63/361033263.db2.gz NEYXOLCYBKAUKT-MNOVXSKESA-N 1 2 241.335 0.057 20 0 BCADLO C[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000632578097 361033268 /nfs/dbraw/zinc/03/32/68/361033268.db2.gz NEYXOLCYBKAUKT-MNOVXSKESA-N 1 2 241.335 0.057 20 0 BCADLO C[C@@H]1CCN(C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000632578096 361033721 /nfs/dbraw/zinc/03/37/21/361033721.db2.gz NEYXOLCYBKAUKT-GHMZBOCLSA-N 1 2 241.335 0.057 20 0 BCADLO C[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000632578096 361033723 /nfs/dbraw/zinc/03/37/23/361033723.db2.gz NEYXOLCYBKAUKT-GHMZBOCLSA-N 1 2 241.335 0.057 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 ZINC000067457747 370671487 /nfs/dbraw/zinc/67/14/87/370671487.db2.gz ONNYAKMWZMMMSC-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 ZINC000067457747 370671495 /nfs/dbraw/zinc/67/14/95/370671495.db2.gz ONNYAKMWZMMMSC-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CCOCC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424145035 200867057 /nfs/dbraw/zinc/86/70/57/200867057.db2.gz YJFYTDBNARUCAL-QMMMGPOBSA-N 1 2 239.262 0.086 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCC1 ZINC000629456459 361079958 /nfs/dbraw/zinc/07/99/58/361079958.db2.gz BBXAVHIXHCXWRR-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCC1 ZINC000629456459 361079960 /nfs/dbraw/zinc/07/99/60/361079960.db2.gz BBXAVHIXHCXWRR-JTQLQIEISA-N 1 2 227.308 0.122 20 0 BCADLO O=C(C(=O)N1CCc2[nH]c[nH+]c2C1)c1ccc[nH]1 ZINC000629474536 361086829 /nfs/dbraw/zinc/08/68/29/361086829.db2.gz XBOWXFBSSXWIER-UHFFFAOYSA-N 1 2 244.254 0.505 20 0 BCADLO O=C(C(=O)N1CCc2[nH+]c[nH]c2C1)c1ccc[nH]1 ZINC000629474536 361086832 /nfs/dbraw/zinc/08/68/32/361086832.db2.gz XBOWXFBSSXWIER-UHFFFAOYSA-N 1 2 244.254 0.505 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)[C@H](C)N(C)C1=O ZINC000629474437 361086851 /nfs/dbraw/zinc/08/68/51/361086851.db2.gz DGGRUVJXZFBNCN-SFYZADRCSA-N 1 2 236.275 0.764 20 0 BCADLO C[C@@H]1C[C@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000629504680 361100445 /nfs/dbraw/zinc/10/04/45/361100445.db2.gz CNHYNFSLEMBMTK-BWVDBABLSA-N 1 2 234.259 0.281 20 0 BCADLO C[C@@H]1C[C@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000629504680 361100449 /nfs/dbraw/zinc/10/04/49/361100449.db2.gz CNHYNFSLEMBMTK-BWVDBABLSA-N 1 2 234.259 0.281 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000169798385 361131629 /nfs/dbraw/zinc/13/16/29/361131629.db2.gz RUWSYOSOKWONMU-SECBINFHSA-N 1 2 205.261 0.724 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1COC1 ZINC000634260990 361150446 /nfs/dbraw/zinc/15/04/46/361150446.db2.gz XJEATDUSUMLEQU-ZETCQYMHSA-N 1 2 209.249 0.103 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1COC1 ZINC000634260990 361150450 /nfs/dbraw/zinc/15/04/50/361150450.db2.gz XJEATDUSUMLEQU-ZETCQYMHSA-N 1 2 209.249 0.103 20 0 BCADLO Cn1cc[nH+]c1CNc1ncc(F)cn1 ZINC000158626659 361206196 /nfs/dbraw/zinc/20/61/96/361206196.db2.gz RDTRVVLIRBLPOJ-UHFFFAOYSA-N 1 2 207.212 0.961 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000640474916 361245986 /nfs/dbraw/zinc/24/59/86/361245986.db2.gz VOHQRMYRHBAPNW-PRHODGIISA-N 1 2 247.254 0.896 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000640474916 361245990 /nfs/dbraw/zinc/24/59/90/361245990.db2.gz VOHQRMYRHBAPNW-PRHODGIISA-N 1 2 247.254 0.896 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640485565 361278585 /nfs/dbraw/zinc/27/85/85/361278585.db2.gz ICHUBBVWGYGAGV-LDYMZIIASA-N 1 2 222.292 0.495 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640485565 361278587 /nfs/dbraw/zinc/27/85/87/361278587.db2.gz ICHUBBVWGYGAGV-LDYMZIIASA-N 1 2 222.292 0.495 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC000640487671 361280010 /nfs/dbraw/zinc/28/00/10/361280010.db2.gz RQNFUCATCBMJOK-BXKDBHETSA-N 1 2 235.287 0.589 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC000640487671 361280014 /nfs/dbraw/zinc/28/00/14/361280014.db2.gz RQNFUCATCBMJOK-BXKDBHETSA-N 1 2 235.287 0.589 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640489332 361282548 /nfs/dbraw/zinc/28/25/48/361282548.db2.gz WVBITERLSIJOLC-VAOFZXAKSA-N 1 2 222.292 0.495 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640489332 361282555 /nfs/dbraw/zinc/28/25/55/361282555.db2.gz WVBITERLSIJOLC-VAOFZXAKSA-N 1 2 222.292 0.495 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC000640478366 361254852 /nfs/dbraw/zinc/25/48/52/361254852.db2.gz ATVGVKZAYLBROP-GWCFXTLKSA-N 1 2 248.330 0.571 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC000640478366 361254858 /nfs/dbraw/zinc/25/48/58/361254858.db2.gz ATVGVKZAYLBROP-GWCFXTLKSA-N 1 2 248.330 0.571 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483327 361258712 /nfs/dbraw/zinc/25/87/12/361258712.db2.gz VXLYVLKYAPVDAN-JQWIXIFHSA-N 1 2 236.319 0.501 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483327 361258717 /nfs/dbraw/zinc/25/87/17/361258717.db2.gz VXLYVLKYAPVDAN-JQWIXIFHSA-N 1 2 236.319 0.501 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ncn1 ZINC000428288318 201005808 /nfs/dbraw/zinc/00/58/08/201005808.db2.gz QXFHVUZQDJMDNI-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ncn1 ZINC000428288318 201005810 /nfs/dbraw/zinc/00/58/10/201005810.db2.gz QXFHVUZQDJMDNI-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000428294858 201005505 /nfs/dbraw/zinc/00/55/05/201005505.db2.gz NUMJJZJOONIASG-KOLCDFICSA-N 1 2 234.303 0.666 20 0 BCADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000428294858 201005508 /nfs/dbraw/zinc/00/55/08/201005508.db2.gz NUMJJZJOONIASG-KOLCDFICSA-N 1 2 234.303 0.666 20 0 BCADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1nccnc1OC ZINC000579194701 366731406 /nfs/dbraw/zinc/73/14/06/366731406.db2.gz KQSDILDVNSDQTK-WPRPVWTQSA-N 1 2 223.276 0.752 20 0 BCADLO COC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428449899 201018256 /nfs/dbraw/zinc/01/82/56/201018256.db2.gz VSHDBWIJUCXQPL-UHFFFAOYSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ncn1 ZINC000428443659 201018684 /nfs/dbraw/zinc/01/86/84/201018684.db2.gz SEWUYNQASSVOCU-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ncn1 ZINC000428443659 201018687 /nfs/dbraw/zinc/01/86/87/201018687.db2.gz SEWUYNQASSVOCU-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)ncn1 ZINC000428475381 201021710 /nfs/dbraw/zinc/02/17/10/201021710.db2.gz WFANCRLYMIRKOI-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)ncn1 ZINC000428475381 201021712 /nfs/dbraw/zinc/02/17/12/201021712.db2.gz WFANCRLYMIRKOI-UHFFFAOYSA-N 1 2 222.292 0.305 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000428491252 201023824 /nfs/dbraw/zinc/02/38/24/201023824.db2.gz UERLSXQZBQGJRW-CIUDSAMLSA-N 1 2 200.282 0.230 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000428491252 201023826 /nfs/dbraw/zinc/02/38/26/201023826.db2.gz UERLSXQZBQGJRW-CIUDSAMLSA-N 1 2 200.282 0.230 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000428491254 201023912 /nfs/dbraw/zinc/02/39/12/201023912.db2.gz UERLSXQZBQGJRW-XHNCKOQMSA-N 1 2 200.282 0.230 20 0 BCADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000428491254 201023915 /nfs/dbraw/zinc/02/39/15/201023915.db2.gz UERLSXQZBQGJRW-XHNCKOQMSA-N 1 2 200.282 0.230 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCc3nn[nH]c3C2)nn1 ZINC000428484515 201024671 /nfs/dbraw/zinc/02/46/71/201024671.db2.gz SJNQXBAMYUXILD-UHFFFAOYSA-N 1 2 247.306 0.535 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCc3nn[nH]c3C2)nn1 ZINC000428484515 201024673 /nfs/dbraw/zinc/02/46/73/201024673.db2.gz SJNQXBAMYUXILD-UHFFFAOYSA-N 1 2 247.306 0.535 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000079769062 370691948 /nfs/dbraw/zinc/69/19/48/370691948.db2.gz DSGYPKPOEDGQLZ-VIFPVBQESA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079769062 370691950 /nfs/dbraw/zinc/69/19/50/370691950.db2.gz DSGYPKPOEDGQLZ-VIFPVBQESA-N 1 2 201.266 0.252 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@H](C)CC ZINC000429159544 201073779 /nfs/dbraw/zinc/07/37/79/201073779.db2.gz FFTUJEYKLAZEFA-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)CC ZINC000429159544 201073781 /nfs/dbraw/zinc/07/37/81/201073781.db2.gz FFTUJEYKLAZEFA-SECBINFHSA-N 1 2 229.324 0.098 20 0 BCADLO COC[C@@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276645 363767587 /nfs/dbraw/zinc/76/75/87/363767587.db2.gz VDYIVVVCHFFUSD-GFCCVEGCSA-N 1 2 249.270 0.670 20 0 BCADLO CC(C)c1nnc(C[N@@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000428946406 201052769 /nfs/dbraw/zinc/05/27/69/201052769.db2.gz JVQQPYDMYDIWIU-SECBINFHSA-N 1 2 242.323 0.103 20 0 BCADLO CC(C)c1nnc(C[N@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000428946406 201052773 /nfs/dbraw/zinc/05/27/73/201052773.db2.gz JVQQPYDMYDIWIU-SECBINFHSA-N 1 2 242.323 0.103 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C[C@H](C)O)[nH]1 ZINC000428971179 201054067 /nfs/dbraw/zinc/05/40/67/201054067.db2.gz VFCFOSLNXOXNCA-QMMMGPOBSA-N 1 2 212.297 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C[C@H](C)O)[nH]1 ZINC000428971179 201054070 /nfs/dbraw/zinc/05/40/70/201054070.db2.gz VFCFOSLNXOXNCA-QMMMGPOBSA-N 1 2 212.297 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)CCOCCO)[nH]1 ZINC000428977396 201055061 /nfs/dbraw/zinc/05/50/61/201055061.db2.gz MUFHRWUAWVXBFI-UHFFFAOYSA-N 1 2 242.323 0.369 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)CCOCCO)[nH]1 ZINC000428977396 201055064 /nfs/dbraw/zinc/05/50/64/201055064.db2.gz MUFHRWUAWVXBFI-UHFFFAOYSA-N 1 2 242.323 0.369 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cncc(F)c1 ZINC000429120874 201068470 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/nfs/dbraw/zinc/15/73/01/491157301.db2.gz WSRYXBKVVGKZFJ-IONNQARKSA-N 1 2 242.348 0.978 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(OC)nn1 ZINC000429168238 201075913 /nfs/dbraw/zinc/07/59/13/201075913.db2.gz OGBNMEVNDVRBRH-UHFFFAOYSA-N 1 2 238.291 0.183 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(OC)nn1 ZINC000429168238 201075917 /nfs/dbraw/zinc/07/59/17/201075917.db2.gz OGBNMEVNDVRBRH-UHFFFAOYSA-N 1 2 238.291 0.183 20 0 BCADLO CCN1CN(Cc2cn3ccccc3[nH+]2)CC1=O ZINC000191847132 361379933 /nfs/dbraw/zinc/37/99/33/361379933.db2.gz CGGOWLBCXNEOTK-UHFFFAOYSA-N 1 2 244.298 0.956 20 0 BCADLO CCc1nc(C[N@H+](C)C2(CO)CCC2)no1 ZINC000429245278 201083296 /nfs/dbraw/zinc/08/32/96/201083296.db2.gz BNZJBTKUEXVEIO-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@@H+](C)C2(CO)CCC2)no1 ZINC000429245278 201083299 /nfs/dbraw/zinc/08/32/99/201083299.db2.gz BNZJBTKUEXVEIO-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(CO)CCC2)[nH]1 ZINC000429262525 201085419 /nfs/dbraw/zinc/08/54/19/201085419.db2.gz JGCVHHMJWLIQAT-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(CO)CCC2)[nH]1 ZINC000429262525 201085427 /nfs/dbraw/zinc/08/54/27/201085427.db2.gz JGCVHHMJWLIQAT-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CSCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000579272233 366754201 /nfs/dbraw/zinc/75/42/01/366754201.db2.gz KWARLEIHUKFREX-UHFFFAOYSA-N 1 2 227.333 0.784 20 0 BCADLO C([C@@H]1CCCCO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429287577 201093188 /nfs/dbraw/zinc/09/31/88/201093188.db2.gz MZCVDEGWFCKHMY-VIFPVBQESA-N 1 2 222.292 0.732 20 0 BCADLO C([C@@H]1CCCCO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429287577 201093191 /nfs/dbraw/zinc/09/31/91/201093191.db2.gz MZCVDEGWFCKHMY-VIFPVBQESA-N 1 2 222.292 0.732 20 0 BCADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](O)COC ZINC000429281952 201093208 /nfs/dbraw/zinc/09/32/08/201093208.db2.gz YLSDPZVVUUIBEJ-JTQLQIEISA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000579365232 366771828 /nfs/dbraw/zinc/77/18/28/366771828.db2.gz 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/nfs/dbraw/zinc/11/71/84/201117184.db2.gz SNFMYCQJSGNYBH-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)CC[S@@]1=O ZINC000429570048 201119822 /nfs/dbraw/zinc/11/98/22/201119822.db2.gz AFUBZBLXWYNGBR-LSYCYVAJSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)CC[S@@]1=O ZINC000429570048 201119824 /nfs/dbraw/zinc/11/98/24/201119824.db2.gz AFUBZBLXWYNGBR-LSYCYVAJSA-N 1 2 244.360 0.108 20 0 BCADLO CCC[C@@H](C)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000429685262 201122946 /nfs/dbraw/zinc/12/29/46/201122946.db2.gz LGFMTVAMQVLJGR-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cncnc1 ZINC000430131740 201147728 /nfs/dbraw/zinc/14/77/28/201147728.db2.gz MNRAVVNOXHWYTK-UHFFFAOYSA-N 1 2 208.265 0.174 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cncnc1 ZINC000430131740 201147729 /nfs/dbraw/zinc/14/77/29/201147729.db2.gz MNRAVVNOXHWYTK-UHFFFAOYSA-N 1 2 208.265 0.174 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000433192013 201165672 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201225210 /nfs/dbraw/zinc/22/52/10/201225210.db2.gz FOAQVWWMRXTLIL-GMTAPVOTSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@H](C)CO1 ZINC000434546128 201225212 /nfs/dbraw/zinc/22/52/12/201225212.db2.gz FOAQVWWMRXTLIL-GMTAPVOTSA-N 1 2 247.360 0.530 20 0 BCADLO CCn1ncnc1C[N@H+](C)C(C)(C)CO ZINC000133767734 491160396 /nfs/dbraw/zinc/16/03/96/491160396.db2.gz CBMOJWBEXIABPL-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C(C)(C)CO ZINC000133767734 491160397 /nfs/dbraw/zinc/16/03/97/491160397.db2.gz CBMOJWBEXIABPL-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO O[C@@H]1CCCN(c2ncc(-c3c[nH]c[nH+]3)cn2)C1 ZINC000629760203 361687252 /nfs/dbraw/zinc/68/72/52/361687252.db2.gz FDVLYRYMVPSYIQ-SNVBAGLBSA-N 1 2 245.286 0.828 20 0 BCADLO OC1CCN(c2ncc(-c3[nH]cc[nH+]3)cn2)CC1 ZINC000629763866 361687901 /nfs/dbraw/zinc/68/79/01/361687901.db2.gz FRLLBSLIDWEYOS-UHFFFAOYSA-N 1 2 245.286 0.828 20 0 BCADLO COc1nccnc1C[NH2+]Cc1cnn(C)c1C ZINC000436471282 201328761 /nfs/dbraw/zinc/32/87/61/201328761.db2.gz NCWLRXJZYZNJSR-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000436612990 201333997 /nfs/dbraw/zinc/33/39/97/201333997.db2.gz RRQXVCNXMZRNKM-DTORHVGOSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000436612990 201334001 /nfs/dbraw/zinc/33/40/01/201334001.db2.gz RRQXVCNXMZRNKM-DTORHVGOSA-N 1 2 223.324 0.638 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C(=O)c1ccc(O)cc1 ZINC000436700353 201334681 /nfs/dbraw/zinc/33/46/81/201334681.db2.gz VLGPSGQUTSVYDA-UHFFFAOYSA-N 1 2 245.238 0.614 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)O ZINC000436839112 201338036 /nfs/dbraw/zinc/33/80/36/201338036.db2.gz OLHJITNTKICMCI-ZETCQYMHSA-N 1 2 211.265 0.100 20 0 BCADLO O=C(NCC[NH+]1CCC1)C(=O)c1ccc(O)cc1 ZINC000436962374 201342107 /nfs/dbraw/zinc/34/21/07/201342107.db2.gz JIKUURMBLVQETJ-UHFFFAOYSA-N 1 2 248.282 0.397 20 0 BCADLO CN(C)c1[nH+]cccc1CNC(=O)NCCF ZINC000437665895 201364522 /nfs/dbraw/zinc/36/45/22/201364522.db2.gz INEAVDFCGIGPGY-UHFFFAOYSA-N 1 2 240.282 0.916 20 0 BCADLO CC1=C(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000437949311 201379339 /nfs/dbraw/zinc/37/93/39/201379339.db2.gz RZJAGCKIHWQUEG-UHFFFAOYSA-N 1 2 238.331 0.935 20 0 BCADLO CC(C)(C(=O)N1CCCCN1)c1c[nH+]c[nH]1 ZINC000614734743 363943494 /nfs/dbraw/zinc/94/34/94/363943494.db2.gz HWMNHFZGVAKPCA-UHFFFAOYSA-N 1 2 222.292 0.814 20 0 BCADLO CCn1ncc(C(=O)N2CC[NH+](C)CC2)c1C ZINC000630143366 363979354 /nfs/dbraw/zinc/97/93/54/363979354.db2.gz ALVSAQRZXOZZAP-UHFFFAOYSA-N 1 2 236.319 0.599 20 0 BCADLO CC[C@H](C(=O)OC)N(C)Cc1[nH]cc[nH+]1 ZINC000614918451 364086475 /nfs/dbraw/zinc/08/64/75/364086475.db2.gz YWMDSITTZCRUSF-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000630388490 364104367 /nfs/dbraw/zinc/10/43/67/364104367.db2.gz ICEQSOCCURRDGJ-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000630388750 364105621 /nfs/dbraw/zinc/10/56/21/364105621.db2.gz KUWKZBKXHRCOIF-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO Cc1oc(C(=O)N2CC[NH+](C)CC2)cc1CO ZINC000630389669 364107182 /nfs/dbraw/zinc/10/71/82/364107182.db2.gz YYHVHIBBGNJWLD-UHFFFAOYSA-N 1 2 238.287 0.468 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnnn1C ZINC000622083850 370700093 /nfs/dbraw/zinc/70/00/93/370700093.db2.gz NIWCWNLDZLIKJF-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)[C@H](C)O ZINC000622090646 370703618 /nfs/dbraw/zinc/70/36/18/370703618.db2.gz RSBPWQYDCVVECL-DTWKUNHWSA-N 1 2 239.319 0.963 20 0 BCADLO CCn1cnc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000615039877 364407023 /nfs/dbraw/zinc/40/70/23/364407023.db2.gz UWFAGIMNDRSDFG-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO CCc1nnc(C[N@H+](C)CCCOC)[nH]1 ZINC000181660375 366836572 /nfs/dbraw/zinc/83/65/72/366836572.db2.gz JJQMLOAWLFDNCQ-UHFFFAOYSA-N 1 2 212.297 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCCOC)[nH]1 ZINC000181660375 366836576 /nfs/dbraw/zinc/83/65/76/366836576.db2.gz JJQMLOAWLFDNCQ-UHFFFAOYSA-N 1 2 212.297 0.835 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CSC1 ZINC000630746476 364532442 /nfs/dbraw/zinc/53/24/42/364532442.db2.gz AUKBKRREBANDMZ-QMMMGPOBSA-N 1 2 225.317 0.751 20 0 BCADLO COCCC[N@H+](C)Cc1nc(COC)no1 ZINC000182092243 366866427 /nfs/dbraw/zinc/86/64/27/366866427.db2.gz CWRHBUHOKARTIH-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO COCCC[N@@H+](C)Cc1nc(COC)no1 ZINC000182092243 366866431 /nfs/dbraw/zinc/86/64/31/366866431.db2.gz CWRHBUHOKARTIH-UHFFFAOYSA-N 1 2 229.280 0.684 20 0 BCADLO CCCN(C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630851853 364600610 /nfs/dbraw/zinc/60/06/10/364600610.db2.gz JTBLPGFIDOKXMP-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615296966 364678555 /nfs/dbraw/zinc/67/85/55/364678555.db2.gz ULCQVNGTYNANKD-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615296966 364678564 /nfs/dbraw/zinc/67/85/64/364678564.db2.gz ULCQVNGTYNANKD-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000615363913 364736481 /nfs/dbraw/zinc/73/64/81/364736481.db2.gz SMMNSIKGENTTFB-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000615363913 364736486 /nfs/dbraw/zinc/73/64/86/364736486.db2.gz SMMNSIKGENTTFB-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1COC1 ZINC000573266033 364790086 /nfs/dbraw/zinc/79/00/86/364790086.db2.gz QACDUKCEZPRYHQ-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1COC1 ZINC000573266033 364790089 /nfs/dbraw/zinc/79/00/89/364790089.db2.gz QACDUKCEZPRYHQ-VIFPVBQESA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000573541639 364856303 /nfs/dbraw/zinc/85/63/03/364856303.db2.gz DKJWVNSVRDHIER-WDEREUQCSA-N 1 2 249.314 0.957 20 0 BCADLO COC1(C(=O)NCc2c[nH+]cn2C)CCCC1 ZINC000573413366 364824729 /nfs/dbraw/zinc/82/47/29/364824729.db2.gz ZQFXSQLDRMZRNY-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO Cc1nc(C[NH2+]C[C@@H](O)CCOC(C)C)no1 ZINC000573479390 364843097 /nfs/dbraw/zinc/84/30/97/364843097.db2.gz WRODXKRDBFALBD-JTQLQIEISA-N 1 2 243.307 0.644 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC000574163215 364990730 /nfs/dbraw/zinc/99/07/30/364990730.db2.gz ZLFLRXOKWQGLSE-VIFPVBQESA-N 1 2 240.332 0.557 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000574163215 364990737 /nfs/dbraw/zinc/99/07/37/364990737.db2.gz ZLFLRXOKWQGLSE-VIFPVBQESA-N 1 2 240.332 0.557 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3ccsc3C2)C(=O)N1 ZINC000574336564 365039938 /nfs/dbraw/zinc/03/99/38/365039938.db2.gz SZFMLYQWMCGGHA-MRVPVSSYSA-N 1 2 236.296 0.521 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3ccsc3C2)C(=O)N1 ZINC000574336564 365039944 /nfs/dbraw/zinc/03/99/44/365039944.db2.gz SZFMLYQWMCGGHA-MRVPVSSYSA-N 1 2 236.296 0.521 20 0 BCADLO C[C@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)CO1 ZINC000574704146 365126909 /nfs/dbraw/zinc/12/69/09/365126909.db2.gz UWSPGFRMFLGZMK-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000575063986 365183684 /nfs/dbraw/zinc/18/36/84/365183684.db2.gz NBKWNCHPLCPBEM-BDAKNGLRSA-N 1 2 248.290 0.830 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)c1nnc[nH]1)n1cc[nH+]c1 ZINC000575063986 365183689 /nfs/dbraw/zinc/18/36/89/365183689.db2.gz NBKWNCHPLCPBEM-BDAKNGLRSA-N 1 2 248.290 0.830 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CC[S@@](=O)C1 ZINC000574824296 365155140 /nfs/dbraw/zinc/15/51/40/365155140.db2.gz ZZTMIYGBVVMUSK-XABCROFNSA-N 1 2 242.304 0.000 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@]2(CCOC2)C1 ZINC000574883208 365168307 /nfs/dbraw/zinc/16/83/07/365168307.db2.gz BRQPWXLZKRONPU-ZDUSSCGKSA-N 1 2 249.314 0.912 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)NCC1([S@](C)=O)CC1 ZINC000442920353 193002714 /nfs/dbraw/zinc/00/27/14/193002714.db2.gz COATXNLFOZMWNV-FVMDXXJSSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)NCC1([S@](C)=O)CC1 ZINC000442920353 193002716 /nfs/dbraw/zinc/00/27/16/193002716.db2.gz COATXNLFOZMWNV-FVMDXXJSSA-N 1 2 244.360 0.108 20 0 BCADLO Cc1nnc(N2CCn3cc[nH+]c3C2)n1C ZINC000575165128 365222328 /nfs/dbraw/zinc/22/23/28/365222328.db2.gz XIDOBPZKQQUITK-UHFFFAOYSA-N 1 2 218.264 0.340 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ncccc1F ZINC000575173768 365227842 /nfs/dbraw/zinc/22/78/42/365227842.db2.gz DFSQSAMPZLMJGP-UHFFFAOYSA-N 1 2 234.234 0.734 20 0 BCADLO Cn1cnc(C[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000575174717 365228367 /nfs/dbraw/zinc/22/83/67/365228367.db2.gz PWYOJDFXUYXFJJ-GFCCVEGCSA-N 1 2 246.314 0.508 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1cccs1 ZINC000443748985 193029323 /nfs/dbraw/zinc/02/93/23/193029323.db2.gz PJENLOZYRFWOKG-UHFFFAOYSA-N 1 2 246.357 0.732 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2c(Cl)cnn2C)C1 ZINC000575195758 365237161 /nfs/dbraw/zinc/23/71/61/365237161.db2.gz UQPGCERRANYVJK-UHFFFAOYSA-N 1 2 242.710 0.394 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCOC1 ZINC000575194404 365237189 /nfs/dbraw/zinc/23/71/89/365237189.db2.gz GLCQLAYHFUBPFB-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCOC1 ZINC000575194404 365237194 /nfs/dbraw/zinc/23/71/94/365237194.db2.gz GLCQLAYHFUBPFB-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO CCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000575331221 365294258 /nfs/dbraw/zinc/29/42/58/365294258.db2.gz MEBQXGPFWFYYRW-UHFFFAOYSA-N 1 2 203.267 0.191 20 0 BCADLO CCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000575331221 365294264 /nfs/dbraw/zinc/29/42/64/365294264.db2.gz MEBQXGPFWFYYRW-UHFFFAOYSA-N 1 2 203.267 0.191 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)C[NH+]1CC(C)(C)C1 ZINC000575759546 365356798 /nfs/dbraw/zinc/35/67/98/365356798.db2.gz UZBTVHUMNDWXEK-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000579566350 366876317 /nfs/dbraw/zinc/87/63/17/366876317.db2.gz CLJDSOSNEACTIN-DTWKUNHWSA-N 1 2 209.249 0.611 20 0 BCADLO COCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000575879477 365404326 /nfs/dbraw/zinc/40/43/26/365404326.db2.gz VZZLVUXOFMGNOX-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000575879477 365404330 /nfs/dbraw/zinc/40/43/30/365404330.db2.gz VZZLVUXOFMGNOX-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COCC[N@H+](CCSC)CC(=O)OC ZINC000172732478 365376346 /nfs/dbraw/zinc/37/63/46/365376346.db2.gz WZNMLFFBSHEDPT-UHFFFAOYSA-N 1 2 221.322 0.471 20 0 BCADLO COCC[N@@H+](CCSC)CC(=O)OC ZINC000172732478 365376350 /nfs/dbraw/zinc/37/63/50/365376350.db2.gz WZNMLFFBSHEDPT-UHFFFAOYSA-N 1 2 221.322 0.471 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000576050489 365465050 /nfs/dbraw/zinc/46/50/50/365465050.db2.gz IMDWLVASJHFUKS-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000576050489 365465051 /nfs/dbraw/zinc/46/50/51/365465051.db2.gz IMDWLVASJHFUKS-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1Cc2cccnc2C1 ZINC000579585006 366891323 /nfs/dbraw/zinc/89/13/23/366891323.db2.gz VOGWATDFSJBVBI-LLVKDONJSA-N 1 2 217.272 0.676 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1Cc2cccnc2C1 ZINC000579585006 366891329 /nfs/dbraw/zinc/89/13/29/366891329.db2.gz VOGWATDFSJBVBI-LLVKDONJSA-N 1 2 217.272 0.676 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnn1C ZINC000576170713 365508861 /nfs/dbraw/zinc/50/88/61/365508861.db2.gz SJRWFJUEJJMAGC-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccnn1C ZINC000576170713 365508864 /nfs/dbraw/zinc/50/88/64/365508864.db2.gz SJRWFJUEJJMAGC-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO COCc1noc(CCc2c[nH]c[nH+]2)n1 ZINC000579911125 367073936 /nfs/dbraw/zinc/07/39/36/367073936.db2.gz GPRLODKCXWYJJU-UHFFFAOYSA-N 1 2 208.221 0.724 20 0 BCADLO COCc1noc(CCc2c[nH+]c[nH]2)n1 ZINC000579911125 367073940 /nfs/dbraw/zinc/07/39/40/367073940.db2.gz GPRLODKCXWYJJU-UHFFFAOYSA-N 1 2 208.221 0.724 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)COC)[C@H](C)CC ZINC000183580618 367030812 /nfs/dbraw/zinc/03/08/12/367030812.db2.gz DTFXALYYASIHNZ-VWYCJHECSA-N 1 2 247.335 0.561 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COC)[C@H](C)CC ZINC000183589994 367032249 /nfs/dbraw/zinc/03/22/49/367032249.db2.gz DTFXALYYASIHNZ-MXWKQRLJSA-N 1 2 247.335 0.561 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](C)CC ZINC000183590008 367032433 /nfs/dbraw/zinc/03/24/33/367032433.db2.gz DTFXALYYASIHNZ-AXFHLTTASA-N 1 2 247.335 0.561 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CO)[C@H](O)C2)o1 ZINC000579998340 367117758 /nfs/dbraw/zinc/11/77/58/367117758.db2.gz XACRDAJKTGZRRY-GARJFASQSA-N 1 2 240.303 0.719 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](CO)[C@H](O)C2)o1 ZINC000579998340 367117761 /nfs/dbraw/zinc/11/77/61/367117761.db2.gz XACRDAJKTGZRRY-GARJFASQSA-N 1 2 240.303 0.719 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185123858 367119235 /nfs/dbraw/zinc/11/92/35/367119235.db2.gz IGOKTVGYBIJBLB-PSLIRLAXSA-N 1 2 234.365 0.210 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185123858 367119241 /nfs/dbraw/zinc/11/92/41/367119241.db2.gz IGOKTVGYBIJBLB-PSLIRLAXSA-N 1 2 234.365 0.210 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185118650 367119688 /nfs/dbraw/zinc/11/96/88/367119688.db2.gz YAHJAWLTDIGEIX-HWPZZCPQSA-N 1 2 248.392 0.457 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185118650 367119690 /nfs/dbraw/zinc/11/96/90/367119690.db2.gz YAHJAWLTDIGEIX-HWPZZCPQSA-N 1 2 248.392 0.457 20 0 BCADLO CCC[N@H+](CCO)Cc1nnc(CC)[nH]1 ZINC000185183636 367125628 /nfs/dbraw/zinc/12/56/28/367125628.db2.gz UOKDVKMHAVUENU-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnc(CC)[nH]1 ZINC000185183636 367125636 /nfs/dbraw/zinc/12/56/36/367125636.db2.gz UOKDVKMHAVUENU-UHFFFAOYSA-N 1 2 212.297 0.571 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000618920012 367128993 /nfs/dbraw/zinc/12/89/93/367128993.db2.gz NRLTZYZKIOAGIO-GHMZBOCLSA-N 1 2 237.303 0.645 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000622307698 370836087 /nfs/dbraw/zinc/83/60/87/370836087.db2.gz JEDABZGTQRGPBL-VIFPVBQESA-N 1 2 205.261 0.799 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC(C)(O)C1 ZINC000622309520 370837086 /nfs/dbraw/zinc/83/70/86/370837086.db2.gz UVUOLATWPHUQCF-GRZMOONWSA-N 1 2 237.303 0.549 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1COCCO1)C(C)C ZINC000580814844 367175455 /nfs/dbraw/zinc/17/54/55/367175455.db2.gz GKDCKYXSZKRILX-UWVGGRQHSA-N 1 2 231.292 0.189 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ncccc1F ZINC000622308079 370837147 /nfs/dbraw/zinc/83/71/47/370837147.db2.gz UWZAMKUWLAUKLY-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CC(=O)N1 ZINC000580873934 367194080 /nfs/dbraw/zinc/19/40/80/367194080.db2.gz ZSVGVMXTTOYFDH-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CC(=O)N1 ZINC000580873934 367194084 /nfs/dbraw/zinc/19/40/84/367194084.db2.gz ZSVGVMXTTOYFDH-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)c2nccn21 ZINC000581136899 367273026 /nfs/dbraw/zinc/27/30/26/367273026.db2.gz HKXOHDAMCDLNTP-UWVGGRQHSA-N 1 2 245.286 0.902 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCCOC1 ZINC000581022524 367240166 /nfs/dbraw/zinc/24/01/66/367240166.db2.gz XTVMJWQXEYIVJQ-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194436560 367292359 /nfs/dbraw/zinc/29/23/59/367292359.db2.gz XBFVFKASDMRZDE-ZJUUUORDSA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194436560 367292366 /nfs/dbraw/zinc/29/23/66/367292366.db2.gz XBFVFKASDMRZDE-ZJUUUORDSA-N 1 2 239.323 0.336 20 0 BCADLO Cn1cc(NC(=O)CCc2c[nH+]cn2C)cn1 ZINC000581225869 367297695 /nfs/dbraw/zinc/29/76/95/367297695.db2.gz UBEWMLZDCXYHNW-UHFFFAOYSA-N 1 2 233.275 0.725 20 0 BCADLO COC(=O)Cn1cc(C[NH+]2[C@H](C)C[C@H]2C)nn1 ZINC000581231533 367302457 /nfs/dbraw/zinc/30/24/57/367302457.db2.gz MMOMTCJHADLLAR-RKDXNWHRSA-N 1 2 238.291 0.434 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000194568007 367305010 /nfs/dbraw/zinc/30/50/10/367305010.db2.gz DSZVFYAUHPUDPV-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(C)=O)CC1 ZINC000194568007 367305014 /nfs/dbraw/zinc/30/50/14/367305014.db2.gz DSZVFYAUHPUDPV-NSHDSACASA-N 1 2 242.319 0.492 20 0 BCADLO CO[C@@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000565227299 325881467 /nfs/dbraw/zinc/88/14/67/325881467.db2.gz XHPVZLMQXNQOFW-JTQLQIEISA-N 1 2 223.276 0.903 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581610233 367633480 /nfs/dbraw/zinc/63/34/80/367633480.db2.gz FMDQOXFGIZTCGO-SCVCMEIPSA-N 1 2 249.314 0.427 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC1(F)F ZINC000622353478 370863229 /nfs/dbraw/zinc/86/32/29/370863229.db2.gz PGIZUFHDLWUQCI-ZCFIWIBFSA-N 1 2 215.203 0.692 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccsn1 ZINC000622364080 370869395 /nfs/dbraw/zinc/86/93/95/370869395.db2.gz JYGFGOCCUSUVAB-UHFFFAOYSA-N 1 2 222.273 0.839 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CCCCO ZINC000384862770 367746690 /nfs/dbraw/zinc/74/66/90/367746690.db2.gz LZAFXHAGMJEZMW-UHFFFAOYSA-N 1 2 226.280 0.276 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CCCCO ZINC000384862770 367746693 /nfs/dbraw/zinc/74/66/93/367746693.db2.gz LZAFXHAGMJEZMW-UHFFFAOYSA-N 1 2 226.280 0.276 20 0 BCADLO Cc1cn(C)nc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361311 370868393 /nfs/dbraw/zinc/86/83/93/370868393.db2.gz BIKPIAHQIYNELE-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn2c1CCC2 ZINC000622361675 370868648 /nfs/dbraw/zinc/86/86/48/370868648.db2.gz QIBLUFNTSJYPGX-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384643096 367711483 /nfs/dbraw/zinc/71/14/83/367711483.db2.gz SUJNIAOORCRZDR-FNCVBFRFSA-N 1 2 201.266 0.703 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)[C@H](C)O1 ZINC000384647190 367711963 /nfs/dbraw/zinc/71/19/63/367711963.db2.gz UBFPXECIKHZOES-CSMHCCOUSA-N 1 2 209.236 0.770 20 0 BCADLO c1nnc2cncc(N3CCn4c[nH+]cc4C3)n12 ZINC000581758468 367810675 /nfs/dbraw/zinc/81/06/75/367810675.db2.gz LCTOFBNCKSRSKP-UHFFFAOYSA-N 1 2 241.258 0.341 20 0 BCADLO C[C@@H](C[S@](C)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC000581759812 367810736 /nfs/dbraw/zinc/81/07/36/367810736.db2.gz PBKHYYCBAVHFFC-FVMDXXJSSA-N 1 2 243.332 0.109 20 0 BCADLO O=C(Cc1cncc(O)c1)NCc1c[nH+]c[nH]1 ZINC000622384911 370882425 /nfs/dbraw/zinc/88/24/25/370882425.db2.gz XDTOEIAGWOYDSA-UHFFFAOYSA-N 1 2 232.243 0.369 20 0 BCADLO O=C(Cc1cncc(O)c1)NCc1c[nH]c[nH+]1 ZINC000622384911 370882426 /nfs/dbraw/zinc/88/24/26/370882426.db2.gz XDTOEIAGWOYDSA-UHFFFAOYSA-N 1 2 232.243 0.369 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)no1 ZINC000385094870 367787880 /nfs/dbraw/zinc/78/78/80/367787880.db2.gz YQEMIECKOUMPGA-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@H](O)[C@H]2C)no1 ZINC000385094870 367787882 /nfs/dbraw/zinc/78/78/82/367787882.db2.gz YQEMIECKOUMPGA-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000069012693 370873458 /nfs/dbraw/zinc/87/34/58/370873458.db2.gz NDAFKBPDAHPSEI-UHFFFAOYSA-N 1 2 237.303 0.907 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000069012693 370873461 /nfs/dbraw/zinc/87/34/61/370873461.db2.gz NDAFKBPDAHPSEI-UHFFFAOYSA-N 1 2 237.303 0.907 20 0 BCADLO O=C([C@@H](O)C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000622372778 370876530 /nfs/dbraw/zinc/87/65/30/370876530.db2.gz XRFGNSZJPJMJRA-NSHDSACASA-N 1 2 235.287 0.427 20 0 BCADLO O=C([C@H]1CC1(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000622372337 370876884 /nfs/dbraw/zinc/87/68/84/370876884.db2.gz JNKZAJUWDGMPKL-MRVPVSSYSA-N 1 2 227.214 0.922 20 0 BCADLO Cc1ncc(C[N@@H+]2CCC[C@@]23CCNC3=O)cn1 ZINC000581832852 367837269 /nfs/dbraw/zinc/83/72/69/367837269.db2.gz VBGZBGBDNYAEKA-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1ncc(C[N@H+]2CCC[C@@]23CCNC3=O)cn1 ZINC000581832852 367837274 /nfs/dbraw/zinc/83/72/74/367837274.db2.gz VBGZBGBDNYAEKA-ZDUSSCGKSA-N 1 2 246.314 0.640 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385977901 367892446 /nfs/dbraw/zinc/89/24/46/367892446.db2.gz PWIMKDLRBNMCOT-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385977901 367892451 /nfs/dbraw/zinc/89/24/51/367892451.db2.gz PWIMKDLRBNMCOT-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CC1(C)C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000075701537 367946349 /nfs/dbraw/zinc/94/63/49/367946349.db2.gz UJCMIOSFKAMGPF-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000075701537 367946354 /nfs/dbraw/zinc/94/63/54/367946354.db2.gz UJCMIOSFKAMGPF-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1conc1C(=O)NCc1[nH+]ccn1C ZINC000630922083 367955159 /nfs/dbraw/zinc/95/51/59/367955159.db2.gz JHUTUOCZUFATMW-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000020820989 367970790 /nfs/dbraw/zinc/97/07/90/367970790.db2.gz NSGWYCLWEWTRKB-ZETCQYMHSA-N 1 2 235.209 0.995 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000020820989 367970797 /nfs/dbraw/zinc/97/07/97/367970797.db2.gz NSGWYCLWEWTRKB-ZETCQYMHSA-N 1 2 235.209 0.995 20 0 BCADLO Cn1c[nH+]cc1CNc1ncc2c(n1)CCOC2 ZINC000630957307 368154544 /nfs/dbraw/zinc/15/45/44/368154544.db2.gz NLLGPNSWXCSPAS-UHFFFAOYSA-N 1 2 245.286 0.895 20 0 BCADLO CCCCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000582013907 368153445 /nfs/dbraw/zinc/15/34/45/368153445.db2.gz AGGGXAUDYXENSY-UHFFFAOYSA-N 1 2 231.321 0.971 20 0 BCADLO CCCCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000582013907 368153452 /nfs/dbraw/zinc/15/34/52/368153452.db2.gz AGGGXAUDYXENSY-UHFFFAOYSA-N 1 2 231.321 0.971 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000026874249 368235307 /nfs/dbraw/zinc/23/53/07/368235307.db2.gz SXPCFLRHXNGFGY-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000026874249 368235311 /nfs/dbraw/zinc/23/53/11/368235311.db2.gz SXPCFLRHXNGFGY-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000042569758 368314120 /nfs/dbraw/zinc/31/41/20/368314120.db2.gz VBLJENOGLGDKSM-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000042569758 368314123 /nfs/dbraw/zinc/31/41/23/368314123.db2.gz VBLJENOGLGDKSM-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000033045010 368261266 /nfs/dbraw/zinc/26/12/66/368261266.db2.gz OMJOUNZAONXKRU-UHFFFAOYSA-N 1 2 216.244 0.903 20 0 BCADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000566455716 326050599 /nfs/dbraw/zinc/05/05/99/326050599.db2.gz JWNBUEXMJPDLJJ-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)CO ZINC000566455716 326050602 /nfs/dbraw/zinc/05/06/02/326050602.db2.gz JWNBUEXMJPDLJJ-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO COCC[NH+]1CCN(C(=O)CSC)CC1 ZINC000042004049 368298603 /nfs/dbraw/zinc/29/86/03/368298603.db2.gz FZPXTBIVHIPPBE-UHFFFAOYSA-N 1 2 232.349 0.140 20 0 BCADLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cnn1C ZINC000042532644 368310489 /nfs/dbraw/zinc/31/04/89/368310489.db2.gz ONWUXEPMBKKVBY-SECBINFHSA-N 1 2 247.302 0.744 20 0 BCADLO CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000043304059 368396940 /nfs/dbraw/zinc/39/69/40/368396940.db2.gz MUWXIZDPHCSWTK-GFCCVEGCSA-N 1 2 239.363 0.635 20 0 BCADLO CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000043304057 368396960 /nfs/dbraw/zinc/39/69/60/368396960.db2.gz MUWXIZDPHCSWTK-LBPRGKRZSA-N 1 2 239.363 0.635 20 0 BCADLO COC[C@H](C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000399626254 368418504 /nfs/dbraw/zinc/41/85/04/368418504.db2.gz OZSCWACJLPBQKT-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCCO1 ZINC000046781587 368451706 /nfs/dbraw/zinc/45/17/06/368451706.db2.gz AJSRJFYQVFVBEY-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO CCNC(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000046062045 368435886 /nfs/dbraw/zinc/43/58/86/368435886.db2.gz HLVBOSKKDNDFFQ-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO CCNC(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000046062045 368435890 /nfs/dbraw/zinc/43/58/90/368435890.db2.gz HLVBOSKKDNDFFQ-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000046784178 368452089 /nfs/dbraw/zinc/45/20/89/368452089.db2.gz OZDRFSZNHLPBGR-JTQLQIEISA-N 1 2 223.276 0.568 20 0 BCADLO CC(C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000047575003 368465247 /nfs/dbraw/zinc/46/52/47/368465247.db2.gz CBLCBGKFLGEHJM-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO CCO[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000058953011 368525670 /nfs/dbraw/zinc/52/56/70/368525670.db2.gz ZVSHXPWTTQAWPH-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCc1n[nH]cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000063666562 368592182 /nfs/dbraw/zinc/59/21/82/368592182.db2.gz JWTCGZRYDNBWTQ-UHFFFAOYSA-N 1 2 247.302 0.978 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2cnnc2C1 ZINC000081542372 368605369 /nfs/dbraw/zinc/60/53/69/368605369.db2.gz FCBCHMCVBLEXPE-MNOVXSKESA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCn2cnnc2C1 ZINC000081542372 368605374 /nfs/dbraw/zinc/60/53/74/368605374.db2.gz FCBCHMCVBLEXPE-MNOVXSKESA-N 1 2 236.319 0.645 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000066921580 368668018 /nfs/dbraw/zinc/66/80/18/368668018.db2.gz BDSRPTKYOCEQLY-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccncc1 ZINC000082308906 368670656 /nfs/dbraw/zinc/67/06/56/368670656.db2.gz KVLHZQYACXLTHB-UHFFFAOYSA-N 1 2 216.244 0.595 20 0 BCADLO CCOC(=O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000067127341 368679441 /nfs/dbraw/zinc/67/94/41/368679441.db2.gz YFDBWJGYPIRXRJ-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO CC[C@@H](O)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000622448615 370925191 /nfs/dbraw/zinc/92/51/91/370925191.db2.gz NERJEFQBXWRMBH-LLVKDONJSA-N 1 2 239.319 0.893 20 0 BCADLO CCN(CCCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622466305 370937757 /nfs/dbraw/zinc/93/77/57/370937757.db2.gz AQQXQJPGXYHABY-UHFFFAOYSA-N 1 2 239.319 0.918 20 0 BCADLO CC[C@@](C)(CO)NC(=O)Cc1c[nH+]cn1C ZINC000622467374 370940357 /nfs/dbraw/zinc/94/03/57/370940357.db2.gz RCFHJDCBAIDDMU-NSHDSACASA-N 1 2 225.292 0.240 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000622475932 370945744 /nfs/dbraw/zinc/94/57/44/370945744.db2.gz RYBPSOXCWRFDJN-QMMMGPOBSA-N 1 2 225.292 0.238 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000072621180 368775366 /nfs/dbraw/zinc/77/53/66/368775366.db2.gz WAMUGSRYZVNHHY-SNVBAGLBSA-N 1 2 213.325 0.147 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cnn(CC)c1 ZINC000072982146 368788342 /nfs/dbraw/zinc/78/83/42/368788342.db2.gz KKWGOEFULIUQAH-JTQLQIEISA-N 1 2 224.308 0.599 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072982146 368788347 /nfs/dbraw/zinc/78/83/47/368788347.db2.gz KKWGOEFULIUQAH-JTQLQIEISA-N 1 2 224.308 0.599 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nncn1C ZINC000111364824 368856731 /nfs/dbraw/zinc/85/67/31/368856731.db2.gz GJDRSPQEWIXEQJ-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nncn1C ZINC000111364824 368856734 /nfs/dbraw/zinc/85/67/34/368856734.db2.gz GJDRSPQEWIXEQJ-UHFFFAOYSA-N 1 2 226.280 0.200 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cncc(O)c2)CC1(C)C ZINC000111740207 368861974 /nfs/dbraw/zinc/86/19/74/368861974.db2.gz VLHSTKOVVMDZGT-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cncc(O)c2)CC1(C)C ZINC000111740207 368861977 /nfs/dbraw/zinc/86/19/77/368861977.db2.gz VLHSTKOVVMDZGT-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO Cc1n[nH]c(C)c1CCNC(=O)Cn1cc[nH+]c1 ZINC000616024221 368896681 /nfs/dbraw/zinc/89/66/81/368896681.db2.gz IPSCPSYDFREVRP-UHFFFAOYSA-N 1 2 247.302 0.582 20 0 BCADLO O=C([O-])[C@@H]1COCCN1CCCn1cc[nH+]c1 ZINC000088380886 368912493 /nfs/dbraw/zinc/91/24/93/368912493.db2.gz FTNHBZRJTVUQGM-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO O=C([O-])[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000088380886 368912494 /nfs/dbraw/zinc/91/24/94/368912494.db2.gz FTNHBZRJTVUQGM-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO O=C([O-])[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000088380886 368912496 /nfs/dbraw/zinc/91/24/96/368912496.db2.gz FTNHBZRJTVUQGM-JTQLQIEISA-N 1 2 239.275 0.059 20 0 BCADLO COc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)nn1 ZINC000616086936 368945067 /nfs/dbraw/zinc/94/50/67/368945067.db2.gz NSDRZVYXPNHKGT-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000618398476 369135003 /nfs/dbraw/zinc/13/50/03/369135003.db2.gz FQBJDKUURSSXQA-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccc[nH]c2=O)c1 ZINC000457878386 203116266 /nfs/dbraw/zinc/11/62/66/203116266.db2.gz IZFAGAMOHLESBO-UHFFFAOYSA-N 1 2 246.270 0.493 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000618704668 369201694 /nfs/dbraw/zinc/20/16/94/369201694.db2.gz BLQUKTUAYHBTGB-YPMHNXCESA-N 1 2 249.314 0.768 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)[C@H](C)O ZINC000567485603 326202728 /nfs/dbraw/zinc/20/27/28/326202728.db2.gz LNNHFMNPJZDGQV-BDAKNGLRSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)[C@H](C)O ZINC000567485603 326202731 /nfs/dbraw/zinc/20/27/31/326202731.db2.gz LNNHFMNPJZDGQV-BDAKNGLRSA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2CC)CCO1 ZINC000459309910 203252484 /nfs/dbraw/zinc/25/24/84/203252484.db2.gz LPURFWAPNNPEJI-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2CC)CCO1 ZINC000459309910 203252487 /nfs/dbraw/zinc/25/24/87/203252487.db2.gz LPURFWAPNNPEJI-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619075024 369275003 /nfs/dbraw/zinc/27/50/03/369275003.db2.gz XMSGDYMPLCFESN-NXEZZACHSA-N 1 2 235.287 0.303 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]C[C@H](C)O)C(=O)OC ZINC000459406847 203275516 /nfs/dbraw/zinc/27/55/16/203275516.db2.gz OQWMTZBPPIHBSM-VGMNWLOBSA-N 1 2 203.282 0.545 20 0 BCADLO COCCOC1C[NH+](Cc2cn(C)nc2C)C1 ZINC000459472636 203287828 /nfs/dbraw/zinc/28/78/28/203287828.db2.gz UOUSIPZTBCWXLW-UHFFFAOYSA-N 1 2 239.319 0.576 20 0 BCADLO COC(=O)c1cccc2c1CC[N@H+](CC(N)=O)C2 ZINC000459530001 203295207 /nfs/dbraw/zinc/29/52/07/203295207.db2.gz APLKCIKRJCWIIM-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO COC(=O)c1cccc2c1CC[N@@H+](CC(N)=O)C2 ZINC000459530001 203295210 /nfs/dbraw/zinc/29/52/10/203295210.db2.gz APLKCIKRJCWIIM-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cccc(OC)n2)C1 ZINC000459603208 203314911 /nfs/dbraw/zinc/31/49/11/203314911.db2.gz HPNPSPCDIJEYGI-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO COCC(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC000459606460 203313707 /nfs/dbraw/zinc/31/37/07/203313707.db2.gz BYIDOOGBQBESSI-UHFFFAOYSA-N 1 2 248.326 0.942 20 0 BCADLO C[C@H](CO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567741936 326254180 /nfs/dbraw/zinc/25/41/80/326254180.db2.gz LBUPMUGCULQVLY-VHSXEESVSA-N 1 2 225.292 0.673 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459564977 203303250 /nfs/dbraw/zinc/30/32/50/203303250.db2.gz WXNDZOAVNWSAFY-KOLCDFICSA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)c1coc(C[NH+]2CC(C)(CO)C2)c1 ZINC000459621450 203319623 /nfs/dbraw/zinc/31/96/23/203319623.db2.gz NJEZUNMOCQCXGK-UHFFFAOYSA-N 1 2 239.271 0.880 20 0 BCADLO COc1ccc(C[NH+]2CC(C)(CO)C2)cn1 ZINC000459622631 203319633 /nfs/dbraw/zinc/31/96/33/203319633.db2.gz PLBVWBNFOQGLOW-UHFFFAOYSA-N 1 2 222.288 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCn1ccccc1=O ZINC000619512417 369455254 /nfs/dbraw/zinc/45/52/54/369455254.db2.gz VOMZKMJWWJZPGK-SNVBAGLBSA-N 1 2 238.287 0.342 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1ccccc1=O ZINC000619512417 369455260 /nfs/dbraw/zinc/45/52/60/369455260.db2.gz VOMZKMJWWJZPGK-SNVBAGLBSA-N 1 2 238.287 0.342 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861973 369475018 /nfs/dbraw/zinc/47/50/18/369475018.db2.gz KGSUWZQXJCPKAQ-NXEZZACHSA-N 1 2 213.325 0.276 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ncc[nH]1 ZINC000082266775 370977412 /nfs/dbraw/zinc/97/74/12/370977412.db2.gz RGCJUTKCBBRDFX-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@]1(C)CO ZINC000622510619 370973516 /nfs/dbraw/zinc/97/35/16/370973516.db2.gz JIPLWVMCRHIXTP-LBPRGKRZSA-N 1 2 237.303 0.336 20 0 BCADLO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)OC ZINC000459775809 203364755 /nfs/dbraw/zinc/36/47/55/203364755.db2.gz MOKYEOYXOAJHTP-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO Cc1cn(C)nc1C(=O)NCCc1c[nH+]cn1C ZINC000622504132 370967628 /nfs/dbraw/zinc/96/76/28/370967628.db2.gz PNUOGIHZIMGGGT-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO C[C@@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000619656390 369510489 /nfs/dbraw/zinc/51/04/89/369510489.db2.gz FIXYFWRJKPWEFM-SECBINFHSA-N 1 2 208.265 0.687 20 0 BCADLO C[C@H](O)C1(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000620061167 369693747 /nfs/dbraw/zinc/69/37/47/369693747.db2.gz OJULUKVYAKCPKK-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO C[C@H](O)C1(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000620067737 369702092 /nfs/dbraw/zinc/70/20/92/369702092.db2.gz VKMYHHQJTWBDQC-VIFPVBQESA-N 1 2 245.282 0.978 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000620074536 369707353 /nfs/dbraw/zinc/70/73/53/369707353.db2.gz IGRNLRMWYOCXCP-RKDXNWHRSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000620074536 369707354 /nfs/dbraw/zinc/70/73/54/369707354.db2.gz IGRNLRMWYOCXCP-RKDXNWHRSA-N 1 2 237.303 0.618 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000620132620 369742696 /nfs/dbraw/zinc/74/26/96/369742696.db2.gz IMPYKUYSXMSTTI-GHMZBOCLSA-N 1 2 235.287 0.378 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2COC[C@H]2C1 ZINC000620132623 369742887 /nfs/dbraw/zinc/74/28/87/369742887.db2.gz IMPYKUYSXMSTTI-WDEREUQCSA-N 1 2 235.287 0.378 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620141689 369746688 /nfs/dbraw/zinc/74/66/88/369746688.db2.gz XTPXCEFIGZBTTC-GHMZBOCLSA-N 1 2 249.314 0.756 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620144097 369747903 /nfs/dbraw/zinc/74/79/03/369747903.db2.gz IGUGSXVUEMRASQ-NEPJUHHUSA-N 1 2 249.314 0.768 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000620167872 369756013 /nfs/dbraw/zinc/75/60/13/369756013.db2.gz YRQUGLZPOIDZFP-SECBINFHSA-N 1 2 235.287 0.665 20 0 BCADLO CC(C)c1nc(N2CC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000110541398 369858069 /nfs/dbraw/zinc/85/80/69/369858069.db2.gz DFCUTKKZQDJKLF-SECBINFHSA-N 1 2 234.303 0.912 20 0 BCADLO CC[C@](C)(CO)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000568104753 326308368 /nfs/dbraw/zinc/30/83/68/326308368.db2.gz DNLXUUSWGBIFKI-CMPLNLGQSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000620413215 369867389 /nfs/dbraw/zinc/86/73/89/369867389.db2.gz FSYBGKPTVZXCFT-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000620411835 369867680 /nfs/dbraw/zinc/86/76/80/369867680.db2.gz SKTSSUMCWNJZOM-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597648 369948841 /nfs/dbraw/zinc/94/88/41/369948841.db2.gz YAJBISJWFUMHEA-JGVFFNPUSA-N 1 2 211.265 0.632 20 0 BCADLO C[C@@H](NC(=O)c1cnc[nH]1)c1[nH+]ccn1C ZINC000620600497 369950781 /nfs/dbraw/zinc/95/07/81/369950781.db2.gz OFLFVXFAGDPEHL-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@H](NC(=O)c1cn(C)cn1)c1[nH+]ccn1C ZINC000620603158 369950794 /nfs/dbraw/zinc/95/07/94/369950794.db2.gz ICJLEEBOBHXXFT-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO C[C@@H](NC(=O)[C@H](O)C1CC1)c1[nH+]ccn1C ZINC000620607240 369955334 /nfs/dbraw/zinc/95/53/34/369955334.db2.gz FOCVUEQRRXIYCE-VXNVDRBHSA-N 1 2 223.276 0.368 20 0 BCADLO C[C@H](NC(=O)[C@@](C)(O)C1CC1)c1[nH+]ccn1C ZINC000620610073 369956886 /nfs/dbraw/zinc/95/68/86/369956886.db2.gz VEDCUYYSIWGCCA-UFBFGSQYSA-N 1 2 237.303 0.758 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608416 369957360 /nfs/dbraw/zinc/95/73/60/369957360.db2.gz NVTMNBKOWZTCBY-IUCAKERBSA-N 1 2 225.292 0.614 20 0 BCADLO C[C@@H](NC(=O)[C@@H](O)C1CCC1)c1[nH+]ccn1C ZINC000620612499 369957826 /nfs/dbraw/zinc/95/78/26/369957826.db2.gz WVRITCICQZGOBE-SCZZXKLOSA-N 1 2 237.303 0.758 20 0 BCADLO C[C@@H](NC(=O)c1ncc[nH]1)c1[nH+]ccn1C ZINC000620611574 369957833 /nfs/dbraw/zinc/95/78/33/369957833.db2.gz LSLBYDSCWAVGTO-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@@H](NC(=O)c1cn[nH]c1)c1[nH+]ccn1C ZINC000620597616 369947595 /nfs/dbraw/zinc/94/75/95/369947595.db2.gz XWIAXEDEPURHDY-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO C[C@@H](NC(=O)CCn1cccn1)c1[nH+]ccn1C ZINC000620595341 369948208 /nfs/dbraw/zinc/94/82/08/369948208.db2.gz GXYVYIWKRSKTQM-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H](O)C1 ZINC000620865948 370017058 /nfs/dbraw/zinc/01/70/58/370017058.db2.gz RMPSGMSQYUZLQW-HOMQSWHASA-N 1 2 249.314 0.401 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCF ZINC000621083663 370092954 /nfs/dbraw/zinc/09/29/54/370092954.db2.gz GXXQNCPGOMZBCL-SECBINFHSA-N 1 2 243.282 0.691 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCF ZINC000621083663 370092956 /nfs/dbraw/zinc/09/29/56/370092956.db2.gz GXXQNCPGOMZBCL-SECBINFHSA-N 1 2 243.282 0.691 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccnc(C)c1 ZINC000621248263 370183158 /nfs/dbraw/zinc/18/31/58/370183158.db2.gz ASRMRLYKVVTGTF-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccnc(C)c1 ZINC000621248263 370183160 /nfs/dbraw/zinc/18/31/60/370183160.db2.gz ASRMRLYKVVTGTF-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295371 370220652 /nfs/dbraw/zinc/22/06/52/370220652.db2.gz HEWDTNKAOOILDC-HTQZYQBOSA-N 1 2 240.332 0.796 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295371 370220654 /nfs/dbraw/zinc/22/06/54/370220654.db2.gz HEWDTNKAOOILDC-HTQZYQBOSA-N 1 2 240.332 0.796 20 0 BCADLO c1cc2c(nc[nH+]c2NCc2nn[nH]n2)[nH]1 ZINC000309528452 370222310 /nfs/dbraw/zinc/22/23/10/370222310.db2.gz BKMBNICLQIDYBW-UHFFFAOYSA-N 1 2 216.208 0.083 20 0 BCADLO CC[C@H](O)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621319285 370246440 /nfs/dbraw/zinc/24/64/40/370246440.db2.gz WCKJWMHXFNZZRE-LURJTMIESA-N 1 2 249.274 0.191 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](C)OC ZINC000309817263 370265063 /nfs/dbraw/zinc/26/50/63/370265063.db2.gz BUWIIXPBRBQNEX-ZETCQYMHSA-N 1 2 226.280 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](C)OC ZINC000309817263 370265065 /nfs/dbraw/zinc/26/50/65/370265065.db2.gz BUWIIXPBRBQNEX-ZETCQYMHSA-N 1 2 226.280 0.904 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621364767 370299187 /nfs/dbraw/zinc/29/91/87/370299187.db2.gz KPQMCEBMAFSPNP-WPRPVWTQSA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621364767 370299193 /nfs/dbraw/zinc/29/91/93/370299193.db2.gz KPQMCEBMAFSPNP-WPRPVWTQSA-N 1 2 225.292 0.828 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373376 370313322 /nfs/dbraw/zinc/31/33/22/370313322.db2.gz HPBJFEBIGWSRRT-GHMZBOCLSA-N 1 2 238.335 0.748 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373376 370313326 /nfs/dbraw/zinc/31/33/26/370313326.db2.gz HPBJFEBIGWSRRT-GHMZBOCLSA-N 1 2 238.335 0.748 20 0 BCADLO C[C@H]1CC[N@H+](Cc2csnn2)C[C@H]1CO ZINC000621374219 370314273 /nfs/dbraw/zinc/31/42/73/370314273.db2.gz WNNCYBBEOKAKOH-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2csnn2)C[C@H]1CO ZINC000621374219 370314278 /nfs/dbraw/zinc/31/42/78/370314278.db2.gz WNNCYBBEOKAKOH-IUCAKERBSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)[nH]1 ZINC000621373762 370314704 /nfs/dbraw/zinc/31/47/04/370314704.db2.gz OHIPIPUWQTWARW-SCZZXKLOSA-N 1 2 224.308 0.563 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)[nH]1 ZINC000621373762 370314712 /nfs/dbraw/zinc/31/47/12/370314712.db2.gz OHIPIPUWQTWARW-SCZZXKLOSA-N 1 2 224.308 0.563 20 0 BCADLO O=C(N1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000112829402 370357956 /nfs/dbraw/zinc/35/79/56/370357956.db2.gz AENXXSAMGYPDGY-UHFFFAOYSA-N 1 2 241.335 0.202 20 0 BCADLO Cc1[nH]c(CNC(C)(C)C(=O)N(C)C)[nH+]c1C ZINC000568269238 326338076 /nfs/dbraw/zinc/33/80/76/326338076.db2.gz CVWUWVHWCZRABQ-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H](CO)C1 ZINC000310392483 370342884 /nfs/dbraw/zinc/34/28/84/370342884.db2.gz LGBJDPPJFZVDHN-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000077487167 370425731 /nfs/dbraw/zinc/42/57/31/370425731.db2.gz LXQJTJKTBNWVBS-SNVBAGLBSA-N 1 2 245.286 0.887 20 0 BCADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H](C)O ZINC000568293494 326342426 /nfs/dbraw/zinc/34/24/26/326342426.db2.gz RBSHBBIWGUEOGF-ZJUUUORDSA-N 1 2 228.336 0.604 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000621719634 370468999 /nfs/dbraw/zinc/46/89/99/370468999.db2.gz RZPYKCWORCCVJI-GXSJLCMTSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000621719634 370469003 /nfs/dbraw/zinc/46/90/03/370469003.db2.gz RZPYKCWORCCVJI-GXSJLCMTSA-N 1 2 237.303 0.367 20 0 BCADLO CCOc1cncc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000621720281 370470955 /nfs/dbraw/zinc/47/09/55/370470955.db2.gz RQZMJBMUTAKFGE-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1cncc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000621720281 370470957 /nfs/dbraw/zinc/47/09/57/370470957.db2.gz RQZMJBMUTAKFGE-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000621724372 370475131 /nfs/dbraw/zinc/47/51/31/370475131.db2.gz HBUCLDUOCVOXAS-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000621724372 370475136 /nfs/dbraw/zinc/47/51/36/370475136.db2.gz HBUCLDUOCVOXAS-JTQLQIEISA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000621731582 370483535 /nfs/dbraw/zinc/48/35/35/370483535.db2.gz UCOSPFAJXZTRNK-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000621731582 370483536 /nfs/dbraw/zinc/48/35/36/370483536.db2.gz UCOSPFAJXZTRNK-JQWIXIFHSA-N 1 2 237.303 0.367 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1n[nH]c2c1CCCC2 ZINC000114337633 370553614 /nfs/dbraw/zinc/55/36/14/370553614.db2.gz RYHKACYYQFIZSO-UHFFFAOYSA-N 1 2 245.286 0.942 20 0 BCADLO Cc1nc(C)c(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC000621863160 370570926 /nfs/dbraw/zinc/57/09/26/370570926.db2.gz MQKIUBYIHOLQOS-UHFFFAOYSA-N 1 2 233.275 0.722 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(CCO)CC2)C1 ZINC000568494610 326359732 /nfs/dbraw/zinc/35/97/32/326359732.db2.gz VEIPAKVSTFXLAD-UHFFFAOYSA-N 1 2 240.347 0.607 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CCOC(C)C ZINC000349898541 370634060 /nfs/dbraw/zinc/63/40/60/370634060.db2.gz UKZHJKGSXXTQFD-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CCOC(C)C ZINC000349898541 370634064 /nfs/dbraw/zinc/63/40/64/370634064.db2.gz UKZHJKGSXXTQFD-NSHDSACASA-N 1 2 247.335 0.657 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1nccs1 ZINC000070159363 371008236 /nfs/dbraw/zinc/00/82/36/371008236.db2.gz DMHUUWKQHXLVCJ-ZETCQYMHSA-N 1 2 213.306 0.757 20 0 BCADLO C[NH+](C)Cc1csc(NC(=O)CO)n1 ZINC000622683949 371060897 /nfs/dbraw/zinc/06/08/97/371060897.db2.gz MEQSGRUHKSRSIF-UHFFFAOYSA-N 1 2 215.278 0.136 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ccon2)c1 ZINC000622685751 371062047 /nfs/dbraw/zinc/06/20/47/371062047.db2.gz IXOLZWRSOQUJRP-UHFFFAOYSA-N 1 2 220.232 0.381 20 0 BCADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)on1 ZINC000622685631 371062612 /nfs/dbraw/zinc/06/26/12/371062612.db2.gz BVYRCILEBKTBGB-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCOC2)c1 ZINC000622685879 371063524 /nfs/dbraw/zinc/06/35/24/371063524.db2.gz OGKGMUHYHYTTQJ-SNVBAGLBSA-N 1 2 237.303 0.505 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC23CC3)c1 ZINC000622686951 371063798 /nfs/dbraw/zinc/06/37/98/371063798.db2.gz ZHJQIHRLXYDFIH-JTQLQIEISA-N 1 2 219.288 0.879 20 0 BCADLO CCC[C@@H](OC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686610 371063872 /nfs/dbraw/zinc/06/38/72/371063872.db2.gz NZNVMLZYEBSXKN-LLVKDONJSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1cc(NCCC[S@](C)=O)nc[nH+]1 ZINC000123354482 371066698 /nfs/dbraw/zinc/06/66/98/371066698.db2.gz GWKXDOZEHXSWFW-CQSZACIVSA-N 1 2 213.306 0.966 20 0 BCADLO Cn1ccnc1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000623841402 371122518 /nfs/dbraw/zinc/12/25/18/371122518.db2.gz UOQRDNKPTGAIAX-LLVKDONJSA-N 1 2 248.330 0.663 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)n1 ZINC000623843842 371123975 /nfs/dbraw/zinc/12/39/75/371123975.db2.gz ZGTASHJWZUNODA-LLVKDONJSA-N 1 2 248.330 0.961 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2cocn2)CCN1C1CCC1 ZINC000623841877 371124478 /nfs/dbraw/zinc/12/44/78/371124478.db2.gz AOPYKYLPCYJZKB-NSHDSACASA-N 1 2 235.287 0.918 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276632240 371151158 /nfs/dbraw/zinc/15/11/58/371151158.db2.gz SXGVLAJEJLGTBX-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276632240 371151162 /nfs/dbraw/zinc/15/11/62/371151162.db2.gz SXGVLAJEJLGTBX-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)=CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623933284 371162968 /nfs/dbraw/zinc/16/29/68/371162968.db2.gz ZQZQWZWLZTYVAZ-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)=CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623933284 371162970 /nfs/dbraw/zinc/16/29/70/371162970.db2.gz ZQZQWZWLZTYVAZ-NSHDSACASA-N 1 2 241.335 0.582 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000124925802 371258084 /nfs/dbraw/zinc/25/80/84/371258084.db2.gz XDPBUCPIVNFZSY-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO COC1CC(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000624156203 371350820 /nfs/dbraw/zinc/35/08/20/371350820.db2.gz UFLAWZHVCLTJIJ-WHXUTIOJSA-N 1 2 237.303 0.813 20 0 BCADLO Cc1nnc(C[NH2+]C[C@H](O)C(F)(F)F)s1 ZINC000392072097 371357696 /nfs/dbraw/zinc/35/76/96/371357696.db2.gz YZHVMVWLEHFNIF-YFKPBYRVSA-N 1 2 241.238 0.859 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252653 371438789 /nfs/dbraw/zinc/43/87/89/371438789.db2.gz KTLXTKGUJWMBAU-WDEREUQCSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252653 371438792 /nfs/dbraw/zinc/43/87/92/371438792.db2.gz KTLXTKGUJWMBAU-WDEREUQCSA-N 1 2 249.314 0.719 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624541883 371536761 /nfs/dbraw/zinc/53/67/61/371536761.db2.gz KWSGSFWSUUQYBH-XWEPSHTISA-N 1 2 247.302 0.727 20 0 BCADLO NC(=O)[C@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000624541883 371536766 /nfs/dbraw/zinc/53/67/66/371536766.db2.gz KWSGSFWSUUQYBH-XWEPSHTISA-N 1 2 247.302 0.727 20 0 BCADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(O)CCC1 ZINC000627369954 371587443 /nfs/dbraw/zinc/58/74/43/371587443.db2.gz JAPIUMKRUVMFIJ-UHFFFAOYSA-N 1 2 221.260 0.209 20 0 BCADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000627369954 371587447 /nfs/dbraw/zinc/58/74/47/371587447.db2.gz JAPIUMKRUVMFIJ-UHFFFAOYSA-N 1 2 221.260 0.209 20 0 BCADLO CC(C)(O)CCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370612 371587894 /nfs/dbraw/zinc/58/78/94/371587894.db2.gz GEJZTEZXDNOYCO-UHFFFAOYSA-N 1 2 237.303 0.846 20 0 BCADLO CC(C)(O)CCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370612 371587898 /nfs/dbraw/zinc/58/78/98/371587898.db2.gz GEJZTEZXDNOYCO-UHFFFAOYSA-N 1 2 237.303 0.846 20 0 BCADLO CCn1cnc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000627374980 371592243 /nfs/dbraw/zinc/59/22/43/371592243.db2.gz IUNNFTFAXFRLJL-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1cnc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000627374980 371592252 /nfs/dbraw/zinc/59/22/52/371592252.db2.gz IUNNFTFAXFRLJL-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO Cc1cc(N2C[C@@H](C)O[C@@H](CO)C2)nc[nH+]1 ZINC000230006528 371632890 /nfs/dbraw/zinc/63/28/90/371632890.db2.gz QCCRLVFVROKTHH-NXEZZACHSA-N 1 2 223.276 0.371 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000226767021 371739920 /nfs/dbraw/zinc/73/99/20/371739920.db2.gz LRWIRSGOTFAWAF-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](C)C1 ZINC000226767021 371739928 /nfs/dbraw/zinc/73/99/28/371739928.db2.gz LRWIRSGOTFAWAF-UWVGGRQHSA-N 1 2 231.292 0.021 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1ncnn1C(C)C ZINC000631083320 371823034 /nfs/dbraw/zinc/82/30/34/371823034.db2.gz MMKVUGGPBWCLRT-NSHDSACASA-N 1 2 242.323 0.346 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C23CC(C2)C3)c1 ZINC000627713452 371876652 /nfs/dbraw/zinc/87/66/52/371876652.db2.gz SRCAWBIKYJQBLJ-UHFFFAOYSA-N 1 2 219.288 0.879 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@H](O)C1 ZINC000283251825 181835086 /nfs/dbraw/zinc/83/50/86/181835086.db2.gz URNJDPWURRWPJG-IFUPNLNKSA-N 1 2 235.287 0.700 20 0 BCADLO OC[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631171739 372216083 /nfs/dbraw/zinc/21/60/83/372216083.db2.gz HYSOBMLQSNWIIP-NSHDSACASA-N 1 2 218.256 1.000 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@H](O)C(F)F ZINC000631215951 372238432 /nfs/dbraw/zinc/23/84/32/372238432.db2.gz CPPMOTTYQHNRDW-QMMMGPOBSA-N 1 2 219.235 0.824 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)Nc1cc[nH+]cc1C ZINC000631139346 372206514 /nfs/dbraw/zinc/20/65/14/372206514.db2.gz FZGPHBQNNQRZKA-SNVBAGLBSA-N 1 2 235.287 0.665 20 0 BCADLO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H](O)C(F)(F)F ZINC000631237387 372255619 /nfs/dbraw/zinc/25/56/19/372255619.db2.gz UFQGROSVCSKKBF-IYSWYEEDSA-N 1 2 238.213 0.216 20 0 BCADLO Cc1nc(N(C)CCF)nc(N(C)C)[nH+]1 ZINC000631296509 372281682 /nfs/dbraw/zinc/28/16/82/372281682.db2.gz OKTNVFZMBMXYSH-UHFFFAOYSA-N 1 2 213.260 0.652 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CCF)[nH+]1 ZINC000631296509 372281688 /nfs/dbraw/zinc/28/16/88/372281688.db2.gz OKTNVFZMBMXYSH-UHFFFAOYSA-N 1 2 213.260 0.652 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ncc2n1CCCC2 ZINC000631413157 372346673 /nfs/dbraw/zinc/34/66/73/372346673.db2.gz CEDPPMHCGWEEMT-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ncc2n1CCCC2 ZINC000631413157 372346680 /nfs/dbraw/zinc/34/66/80/372346680.db2.gz CEDPPMHCGWEEMT-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO Cc1nc(N[C@@H]2COC[C@@H]2O)c2c([nH+]1)CCCC2 ZINC000631433157 372362071 /nfs/dbraw/zinc/36/20/71/372362071.db2.gz MJYUZVXVTBZNHN-NEPJUHHUSA-N 1 2 249.314 0.835 20 0 BCADLO CC(C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000171135733 372352121 /nfs/dbraw/zinc/35/21/21/372352121.db2.gz UIWIIWHXFIRTKL-NSHDSACASA-N 1 2 227.352 0.395 20 0 BCADLO O=C(CC[C@H]1CCOC1)NCc1[nH]cc[nH+]1 ZINC000333432752 181926700 /nfs/dbraw/zinc/92/67/00/181926700.db2.gz KJRSTHSTFLIOOY-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C)CC1 ZINC000067472167 372783962 /nfs/dbraw/zinc/78/39/62/372783962.db2.gz SULDHHAEQDPJNJ-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(F)F ZINC000171992105 372849447 /nfs/dbraw/zinc/84/94/47/372849447.db2.gz BYHKRJOEMLXJCS-NKWVEPMBSA-N 1 2 206.236 0.837 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(F)F ZINC000171992105 372849454 /nfs/dbraw/zinc/84/94/54/372849454.db2.gz BYHKRJOEMLXJCS-NKWVEPMBSA-N 1 2 206.236 0.837 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)NC1CCCC1 ZINC000123779926 182000282 /nfs/dbraw/zinc/00/02/82/182000282.db2.gz HLNIMZFOYXSBPC-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO O=C(N1CC=CCC1)C1([NH+]2CCOCC2)CC1 ZINC000632333229 372889289 /nfs/dbraw/zinc/88/92/89/372889289.db2.gz MYJPMXNSHSMQFC-UHFFFAOYSA-N 1 2 236.315 0.640 20 0 BCADLO O=C(C[C@@H]1CCCCO1)NCCn1cc[nH+]c1 ZINC000153766496 182016987 /nfs/dbraw/zinc/01/69/87/182016987.db2.gz VELDLZCTWFRZOK-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO O=C(C[C@@H]1CCCCO1)NCc1[nH]cc[nH+]1 ZINC000087263098 182016346 /nfs/dbraw/zinc/01/63/46/182016346.db2.gz KHRATFABDAWDAB-VIFPVBQESA-N 1 2 223.276 0.985 20 0 BCADLO O=C(C[C@@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290853844 182019330 /nfs/dbraw/zinc/01/93/30/182019330.db2.gz AUKPIISGUUFVSJ-NSHDSACASA-N 1 2 235.287 0.794 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1CSC1)CC2 ZINC000632382941 372911924 /nfs/dbraw/zinc/91/19/24/372911924.db2.gz NXXZEKOUWFMCQU-UHFFFAOYSA-N 1 2 237.328 0.897 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CC ZINC000632405639 372922795 /nfs/dbraw/zinc/92/27/95/372922795.db2.gz XDDWJGFDHLEHTO-MRVPVSSYSA-N 1 2 231.321 0.903 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378306511 182030383 /nfs/dbraw/zinc/03/03/83/182030383.db2.gz FEVLRUGXHWYEIC-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378306511 182030387 /nfs/dbraw/zinc/03/03/87/182030387.db2.gz FEVLRUGXHWYEIC-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000632575603 373013178 /nfs/dbraw/zinc/01/31/78/373013178.db2.gz VJUMEVFSQCKPQM-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO O=C(Cc1ccoc1)NCc1c[nH+]c[nH]1 ZINC000356832263 182056629 /nfs/dbraw/zinc/05/66/29/182056629.db2.gz REQLTMXGULJZPD-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO O=C(Cc1ccoc1)NCc1c[nH]c[nH+]1 ZINC000356832263 182056634 /nfs/dbraw/zinc/05/66/34/182056634.db2.gz REQLTMXGULJZPD-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H](O)C1 ZINC000061705398 182058940 /nfs/dbraw/zinc/05/89/40/182058940.db2.gz DXZYXKACVMQXNA-NSHDSACASA-N 1 2 245.282 0.470 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CCC[C@H]21 ZINC000266851976 182070500 /nfs/dbraw/zinc/07/05/00/182070500.db2.gz PSDGMFBMYKFIGT-MNOVXSKESA-N 1 2 235.287 0.663 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000266851981 182071316 /nfs/dbraw/zinc/07/13/16/182071316.db2.gz PSDGMFBMYKFIGT-WDEREUQCSA-N 1 2 235.287 0.663 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@]12CCOC2 ZINC000357328428 182071372 /nfs/dbraw/zinc/07/13/72/182071372.db2.gz AIRCGUUFBJFPNM-LBPRGKRZSA-N 1 2 235.287 0.665 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000266851978 182071119 /nfs/dbraw/zinc/07/11/19/182071119.db2.gz PSDGMFBMYKFIGT-QWRGUYRKSA-N 1 2 235.287 0.663 20 0 BCADLO O=C(Cn1cccn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334338738 182068981 /nfs/dbraw/zinc/06/89/81/182068981.db2.gz ZEUGGNKOQIJGND-SNVBAGLBSA-N 1 2 245.286 0.970 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)no1 ZINC000380247536 373136861 /nfs/dbraw/zinc/13/68/61/373136861.db2.gz OMFATSKFLRGUFS-QNSHHTMESA-N 1 2 212.249 0.393 20 0 BCADLO O=C(N1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000365704196 182083758 /nfs/dbraw/zinc/08/37/58/182083758.db2.gz OHEYLEVJAKKTTJ-UHFFFAOYSA-N 1 2 219.166 0.788 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191928809 182098779 /nfs/dbraw/zinc/09/87/79/182098779.db2.gz CEIOKCUTJRTRQZ-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cocn1 ZINC000191928809 182098780 /nfs/dbraw/zinc/09/87/80/182098780.db2.gz CEIOKCUTJRTRQZ-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO C[C@@H](CF)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633243262 373400947 /nfs/dbraw/zinc/40/09/47/373400947.db2.gz OIBXJSYHWJJGKO-ZETCQYMHSA-N 1 2 214.244 0.909 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)O ZINC000633290853 373454654 /nfs/dbraw/zinc/45/46/54/373454654.db2.gz XVHXGVVZLODESK-QMMMGPOBSA-N 1 2 225.292 0.851 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1CSC1 ZINC000633272593 373431732 /nfs/dbraw/zinc/43/17/32/373431732.db2.gz UGJFLXQKAORDSL-UHFFFAOYSA-N 1 2 225.317 0.882 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633358152 373493636 /nfs/dbraw/zinc/49/36/36/373493636.db2.gz LJPFKSFHJPQXIC-KCJUWKMLSA-N 1 2 238.291 0.729 20 0 BCADLO O=C(NCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000361763506 182140492 /nfs/dbraw/zinc/14/04/92/182140492.db2.gz OOFLOOIQISBOHQ-JTQLQIEISA-N 1 2 219.288 0.972 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)n1C1CC1 ZINC000177968583 205626003 /nfs/dbraw/zinc/62/60/03/205626003.db2.gz SAJBKBGNWBKVEE-GFCCVEGCSA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)C2)n1C1CC1 ZINC000177968583 205626007 /nfs/dbraw/zinc/62/60/07/205626007.db2.gz SAJBKBGNWBKVEE-GFCCVEGCSA-N 1 2 236.319 0.878 20 0 BCADLO O=C(NCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000290712107 182139065 /nfs/dbraw/zinc/13/90/65/182139065.db2.gz TZXMNWURMRRHNP-UHFFFAOYSA-N 1 2 220.276 0.818 20 0 BCADLO CC(C)N(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000190674972 259567020 /nfs/dbraw/zinc/56/70/20/259567020.db2.gz ZTQYAGXWTPGMEW-UHFFFAOYSA-N 1 2 243.351 0.711 20 0 BCADLO CC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000183462713 205681940 /nfs/dbraw/zinc/68/19/40/205681940.db2.gz TUTVYCHQEYCWQD-UWVGGRQHSA-N 1 2 215.293 0.953 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000040672826 373590407 /nfs/dbraw/zinc/59/04/07/373590407.db2.gz FDQQVDCGKMELJS-MRVPVSSYSA-N 1 2 212.322 0.722 20 0 BCADLO CC[C@H]([NH2+]CC(=O)OC)[C@@H]1CCCO1 ZINC000182245837 205671431 /nfs/dbraw/zinc/67/14/31/205671431.db2.gz ZPTSORYFDIAOFZ-IUCAKERBSA-N 1 2 201.266 0.707 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)C1(O)CCC1 ZINC000186687829 182168824 /nfs/dbraw/zinc/16/88/24/182168824.db2.gz MEVQSBWRPAWIOL-UHFFFAOYSA-N 1 2 249.314 0.915 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)c1cn[nH]n1 ZINC000136194141 182169231 /nfs/dbraw/zinc/16/92/31/182169231.db2.gz RGLSAHPGYQARLE-UHFFFAOYSA-N 1 2 246.274 0.432 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)c1cnn[nH]1 ZINC000136194141 182169234 /nfs/dbraw/zinc/16/92/34/182169234.db2.gz RGLSAHPGYQARLE-UHFFFAOYSA-N 1 2 246.274 0.432 20 0 BCADLO O=C(NCCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271328638 182170497 /nfs/dbraw/zinc/17/04/97/182170497.db2.gz QRHGQZNCMMJGQI-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)Nc1cccnn1 ZINC000120389840 182176752 /nfs/dbraw/zinc/17/67/52/182176752.db2.gz PLFLKAQAUPNXGK-UHFFFAOYSA-N 1 2 246.274 0.885 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)c1cc[nH]c1 ZINC000068228292 182187008 /nfs/dbraw/zinc/18/70/08/182187008.db2.gz CFMYHNPDAMTURR-UHFFFAOYSA-N 1 2 223.276 0.077 20 0 BCADLO COc1nnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000633907801 373842454 /nfs/dbraw/zinc/84/24/54/373842454.db2.gz CDDLYCGXKVOVSS-UHFFFAOYSA-N 1 2 239.260 0.382 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)O1 ZINC000634033451 373923422 /nfs/dbraw/zinc/92/34/22/373923422.db2.gz VEHNDBLPJPEWLB-FXPVBKGRSA-N 1 2 237.303 0.645 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)O1 ZINC000634033455 373923792 /nfs/dbraw/zinc/92/37/92/373923792.db2.gz VEHNDBLPJPEWLB-WCABBAIRSA-N 1 2 237.303 0.645 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1CO ZINC000118562824 182215476 /nfs/dbraw/zinc/21/54/76/182215476.db2.gz PZHXRFABDJIOTJ-SNVBAGLBSA-N 1 2 238.291 0.049 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1CC=CC1 ZINC000077733972 182214500 /nfs/dbraw/zinc/21/45/00/182214500.db2.gz UWRXSYRMGPWRRI-UHFFFAOYSA-N 1 2 205.261 0.966 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1cccnc1 ZINC000049370927 182214601 /nfs/dbraw/zinc/21/46/01/182214601.db2.gz BBOQKDVUKKJRKS-UHFFFAOYSA-N 1 2 245.286 0.778 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCOC2 ZINC000373405195 182215562 /nfs/dbraw/zinc/21/55/62/182215562.db2.gz DYRJBZBDSLQLQQ-CMPLNLGQSA-N 1 2 235.287 0.426 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000123085566 182211273 /nfs/dbraw/zinc/21/12/73/182211273.db2.gz OTJDIFBBSXLGQU-QMMMGPOBSA-N 1 2 209.249 0.247 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1COC1)CC2 ZINC000634261825 374080091 /nfs/dbraw/zinc/08/00/91/374080091.db2.gz XOBGXGSMMBEOQK-VIFPVBQESA-N 1 2 235.287 0.269 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(N)CC1(F)F ZINC000634251869 374050280 /nfs/dbraw/zinc/05/02/80/374050280.db2.gz NYCWRTTYVRZGIG-IONNQARKSA-N 1 2 244.245 0.124 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000365778280 182220161 /nfs/dbraw/zinc/22/01/61/182220161.db2.gz PJAQGVGNZHEBJR-GXSJLCMTSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000365778280 182220162 /nfs/dbraw/zinc/22/01/62/182220162.db2.gz PJAQGVGNZHEBJR-GXSJLCMTSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1COC1 ZINC000634260648 374075150 /nfs/dbraw/zinc/07/51/50/374075150.db2.gz ROFDCSUVCUQMRZ-UHFFFAOYSA-N 1 2 235.287 0.277 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000365778283 182233156 /nfs/dbraw/zinc/23/31/56/182233156.db2.gz PJAQGVGNZHEBJR-ONGXEEELSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000365778283 182233158 /nfs/dbraw/zinc/23/31/58/182233158.db2.gz PJAQGVGNZHEBJR-ONGXEEELSA-N 1 2 249.314 0.717 20 0 BCADLO FC(F)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173944696 374121294 /nfs/dbraw/zinc/12/12/94/374121294.db2.gz PIRJWCCKSCINSU-SECBINFHSA-N 1 2 220.263 0.658 20 0 BCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CCC1 ZINC000114855531 182227862 /nfs/dbraw/zinc/22/78/62/182227862.db2.gz VZSBAVYAFXCUEC-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CCC1 ZINC000114855531 182227865 /nfs/dbraw/zinc/22/78/65/182227865.db2.gz VZSBAVYAFXCUEC-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)NC1CC1 ZINC000375982240 182228386 /nfs/dbraw/zinc/22/83/86/182228386.db2.gz WSBMUEHRKLGDFK-SECBINFHSA-N 1 2 234.303 0.907 20 0 BCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000114858079 182228519 /nfs/dbraw/zinc/22/85/19/182228519.db2.gz RAUKPERGJMYTOZ-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000114858079 182228520 /nfs/dbraw/zinc/22/85/20/182228520.db2.gz RAUKPERGJMYTOZ-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096642027 182239745 /nfs/dbraw/zinc/23/97/45/182239745.db2.gz WLPNIMWPPFHMHC-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cnn2c1CCCC2 ZINC000128164049 182273747 /nfs/dbraw/zinc/27/37/47/182273747.db2.gz YLPLPDCTGWACIB-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2nncn2c1 ZINC000358121226 182274321 /nfs/dbraw/zinc/27/43/21/182274321.db2.gz KGVHUTQDTWUGMI-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO O=C(NN1CCCCC1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368632676 182276571 /nfs/dbraw/zinc/27/65/71/182276571.db2.gz OGEYNMWYEXGUED-SSDOTTSWSA-N 1 2 247.245 0.027 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)c1cn[nH]c1 ZINC000357612088 182269230 /nfs/dbraw/zinc/26/92/30/182269230.db2.gz VHCMFKQCKRRNAK-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)c1cnc[nH]1 ZINC000338045908 182269331 /nfs/dbraw/zinc/26/93/31/182269331.db2.gz YEOAZXFCRKJQPN-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn(CCF)c1 ZINC000353937068 182269766 /nfs/dbraw/zinc/26/97/66/182269766.db2.gz CISVBHFKMKNJKH-UHFFFAOYSA-N 1 2 237.238 0.506 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn(CCF)c1 ZINC000353937068 182269769 /nfs/dbraw/zinc/26/97/69/182269769.db2.gz CISVBHFKMKNJKH-UHFFFAOYSA-N 1 2 237.238 0.506 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H](O)Cc1ccccc1 ZINC000356152604 182269985 /nfs/dbraw/zinc/26/99/85/182269985.db2.gz LVJADGLHFOEYBO-GFCCVEGCSA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H](O)Cc1ccccc1 ZINC000356152604 182269988 /nfs/dbraw/zinc/26/99/88/182269988.db2.gz LVJADGLHFOEYBO-GFCCVEGCSA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@H]1C(F)F ZINC000338199093 182270157 /nfs/dbraw/zinc/27/01/57/182270157.db2.gz VGGSZFPCTMOCQM-BQBZGAKWSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@H]1C(F)F ZINC000338199093 182270158 /nfs/dbraw/zinc/27/01/58/182270158.db2.gz VGGSZFPCTMOCQM-BQBZGAKWSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NN1CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364212572 182276799 /nfs/dbraw/zinc/27/67/99/182276799.db2.gz FUUXBJZUHQSECF-NSHDSACASA-N 1 2 248.330 0.963 20 0 BCADLO COc1ccnc(C[NH2+]Cc2c(C)cnn2C)n1 ZINC000424193734 206035857 /nfs/dbraw/zinc/03/58/57/206035857.db2.gz VBMVGWRJOIEBQD-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H]1F ZINC000424635326 206044201 /nfs/dbraw/zinc/04/42/01/206044201.db2.gz BTQLRATUOMMOBU-JQWIXIFHSA-N 1 2 244.310 0.525 20 0 BCADLO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375410187 182293979 /nfs/dbraw/zinc/29/39/79/182293979.db2.gz FNBZZJLSZJJZFB-IWSPIJDZSA-N 1 2 248.273 0.403 20 0 BCADLO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000437034068 206068882 /nfs/dbraw/zinc/06/88/82/206068882.db2.gz DKVKIMSKRXQUKM-IUCAKERBSA-N 1 2 239.323 0.333 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c[nH+]c2C)n[nH]1 ZINC000446238271 206089871 /nfs/dbraw/zinc/08/98/71/206089871.db2.gz NKUBJXIIPXIBTJ-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c[nH+]c2C)[nH]n1 ZINC000446238271 206089877 /nfs/dbraw/zinc/08/98/77/206089877.db2.gz NKUBJXIIPXIBTJ-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(N)=O)cn1 ZINC000440464570 206077579 /nfs/dbraw/zinc/07/75/79/206077579.db2.gz MONWJHLXOXYKMJ-SECBINFHSA-N 1 2 236.319 0.906 20 0 BCADLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(N)=O)cn1 ZINC000440464570 206077583 /nfs/dbraw/zinc/07/75/83/206077583.db2.gz MONWJHLXOXYKMJ-SECBINFHSA-N 1 2 236.319 0.906 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCO1 ZINC000332775288 182343355 /nfs/dbraw/zinc/34/33/55/182343355.db2.gz MPCVLAMRHXUSGR-CABZTGNLSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCO1 ZINC000332775288 182343357 /nfs/dbraw/zinc/34/33/57/182343357.db2.gz MPCVLAMRHXUSGR-CABZTGNLSA-N 1 2 249.314 0.952 20 0 BCADLO O=C(Nc1ccc(F)nc1)[C@@H]1COCC[NH2+]1 ZINC000226309634 182359506 /nfs/dbraw/zinc/35/95/06/182359506.db2.gz CMKUMPVKCHQGIT-QMMMGPOBSA-N 1 2 225.223 0.148 20 0 BCADLO O=C(Nc1ccc(F)nc1)[C@H]1COCC[NH2+]1 ZINC000226309640 182359665 /nfs/dbraw/zinc/35/96/65/182359665.db2.gz CMKUMPVKCHQGIT-MRVPVSSYSA-N 1 2 225.223 0.148 20 0 BCADLO O=C(Nc1ccc2n[nH]nc2c1)[C@@H]1CSC[NH2+]1 ZINC000152542668 182361873 /nfs/dbraw/zinc/36/18/73/182361873.db2.gz PJFGYAPIZGRIRM-VIFPVBQESA-N 1 2 249.299 0.559 20 0 BCADLO O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CSC[NH2+]1 ZINC000152542668 182361875 /nfs/dbraw/zinc/36/18/75/182361875.db2.gz PJFGYAPIZGRIRM-VIFPVBQESA-N 1 2 249.299 0.559 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221436488 170220155 /nfs/dbraw/zinc/22/01/55/170220155.db2.gz WVDIXAYFBOEBMC-BDAKNGLRSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000342172161 170221287 /nfs/dbraw/zinc/22/12/87/170221287.db2.gz RXRIWKWTSWSFLA-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000342172161 170221289 /nfs/dbraw/zinc/22/12/89/170221289.db2.gz RXRIWKWTSWSFLA-MRVPVSSYSA-N 1 2 201.266 0.252 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000372950040 182829948 /nfs/dbraw/zinc/82/99/48/182829948.db2.gz FAQFPCFYQOMYRU-LPEHRKFASA-N 1 2 211.261 0.459 20 0 BCADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000178726188 134310638 /nfs/dbraw/zinc/31/06/38/134310638.db2.gz BUQVFOVPXBJMKI-SSDOTTSWSA-N 1 2 239.275 0.603 20 0 BCADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000178726188 134310639 /nfs/dbraw/zinc/31/06/39/134310639.db2.gz BUQVFOVPXBJMKI-SSDOTTSWSA-N 1 2 239.275 0.603 20 0 BCADLO O=c1nc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)[nH][nH]1 ZINC000289356428 183008997 /nfs/dbraw/zinc/00/89/97/183008997.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)[nH][nH]1 ZINC000289356428 183008999 /nfs/dbraw/zinc/00/89/99/183008999.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)[nH][nH]1 ZINC000289356428 183009000 /nfs/dbraw/zinc/00/90/00/183009000.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)[nH][nH]1 ZINC000289356428 183009003 /nfs/dbraw/zinc/00/90/03/183009003.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO OC1CN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000370612856 183030752 /nfs/dbraw/zinc/03/07/52/183030752.db2.gz SDLQSWRQIULENS-UHFFFAOYSA-N 1 2 216.244 0.448 20 0 BCADLO O=C1NCCC[C@H]1N1CCn2cc[nH+]c2C1 ZINC000328666999 183025205 /nfs/dbraw/zinc/02/52/05/183025205.db2.gz KPBRYJXSHFLSKG-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO OCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000305874732 183055172 /nfs/dbraw/zinc/05/51/72/183055172.db2.gz PWYOZUPDTQNOCB-VIFPVBQESA-N 1 2 210.281 0.714 20 0 BCADLO OCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000305874732 183055174 /nfs/dbraw/zinc/05/51/74/183055174.db2.gz PWYOZUPDTQNOCB-VIFPVBQESA-N 1 2 210.281 0.714 20 0 BCADLO OCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340181248 183078912 /nfs/dbraw/zinc/07/89/12/183078912.db2.gz NTXAKPNDQUOCSL-SNVBAGLBSA-N 1 2 236.250 0.615 20 0 BCADLO OCCOCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000305815790 183082238 /nfs/dbraw/zinc/08/22/38/183082238.db2.gz AAKPJADDOQWURZ-SNVBAGLBSA-N 1 2 240.307 0.341 20 0 BCADLO OCCOCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000305815790 183082240 /nfs/dbraw/zinc/08/22/40/183082240.db2.gz AAKPJADDOQWURZ-SNVBAGLBSA-N 1 2 240.307 0.341 20 0 BCADLO OCCO[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000331148859 183088474 /nfs/dbraw/zinc/08/84/74/183088474.db2.gz HNQKUDJVIHJSSO-NSHDSACASA-N 1 2 237.303 0.450 20 0 BCADLO OCCO[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000331148859 183088475 /nfs/dbraw/zinc/08/84/75/183088475.db2.gz HNQKUDJVIHJSSO-NSHDSACASA-N 1 2 237.303 0.450 20 0 BCADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000336662853 183109749 /nfs/dbraw/zinc/10/97/49/183109749.db2.gz CIQWNFAIXFCIAE-NXEZZACHSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCO1 ZINC000308952286 183109777 /nfs/dbraw/zinc/10/97/77/183109777.db2.gz VRRPFOIMYKVAOD-NXEZZACHSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCO1 ZINC000308952295 183141818 /nfs/dbraw/zinc/14/18/18/183141818.db2.gz VRRPFOIMYKVAOD-VHSXEESVSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000271194428 183128288 /nfs/dbraw/zinc/12/82/88/183128288.db2.gz RCRCARRASSKVAQ-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000271194428 183128290 /nfs/dbraw/zinc/12/82/90/183128290.db2.gz RCRCARRASSKVAQ-LBPRGKRZSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1F ZINC000274218159 183129987 /nfs/dbraw/zinc/12/99/87/183129987.db2.gz YGBCAXSTOMJFJC-DTWKUNHWSA-N 1 2 243.253 0.892 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cccc1F ZINC000274218159 183129988 /nfs/dbraw/zinc/12/99/88/183129988.db2.gz YGBCAXSTOMJFJC-DTWKUNHWSA-N 1 2 243.253 0.892 20 0 BCADLO OC[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CCO1 ZINC000284343903 183154828 /nfs/dbraw/zinc/15/48/28/183154828.db2.gz YBHBMQDFTASDHO-SNVBAGLBSA-N 1 2 248.286 0.151 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CCO1 ZINC000284343903 183154829 /nfs/dbraw/zinc/15/48/29/183154829.db2.gz YBHBMQDFTASDHO-SNVBAGLBSA-N 1 2 248.286 0.151 20 0 BCADLO OC[C@]1(F)CCC[N@H+](Cc2ccno2)C1 ZINC000287090968 183157403 /nfs/dbraw/zinc/15/74/03/183157403.db2.gz VWLMGHQCPLUDOQ-JTQLQIEISA-N 1 2 214.240 0.971 20 0 BCADLO OC[C@]1(F)CCC[N@@H+](Cc2ccno2)C1 ZINC000287090968 183157404 /nfs/dbraw/zinc/15/74/04/183157404.db2.gz VWLMGHQCPLUDOQ-JTQLQIEISA-N 1 2 214.240 0.971 20 0 BCADLO CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000371344481 169058300 /nfs/dbraw/zinc/05/83/00/169058300.db2.gz MWRGRPWAYOSKDC-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000371344481 169058303 /nfs/dbraw/zinc/05/83/03/169058303.db2.gz MWRGRPWAYOSKDC-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353166907 183176668 /nfs/dbraw/zinc/17/66/68/183176668.db2.gz DUYBDRLMQIZAHP-VHSXEESVSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353166907 183176670 /nfs/dbraw/zinc/17/66/70/183176670.db2.gz DUYBDRLMQIZAHP-VHSXEESVSA-N 1 2 245.273 0.974 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000328820596 183194216 /nfs/dbraw/zinc/19/42/16/183194216.db2.gz QBAIPZRURXVTTQ-SNVBAGLBSA-N 1 2 237.307 0.355 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000328820596 183194217 /nfs/dbraw/zinc/19/42/17/183194217.db2.gz QBAIPZRURXVTTQ-SNVBAGLBSA-N 1 2 237.307 0.355 20 0 BCADLO O[C@H](C[NH+]1CC(O)(C2CC2)C1)CC(F)(F)F ZINC000307931234 183220608 /nfs/dbraw/zinc/22/06/08/183220608.db2.gz BHPFPWPRFFZSIP-QMMMGPOBSA-N 1 2 239.237 0.756 20 0 BCADLO O[C@H](C[NH2+]Cc1csnn1)C(F)(F)F ZINC000132608434 183225230 /nfs/dbraw/zinc/22/52/30/183225230.db2.gz LNNXXOSFJNKZGZ-RXMQYKEDSA-N 1 2 227.211 0.551 20 0 BCADLO O[C@H]1CCCC[C@@H]1[N@@H+]1CCn2cnnc2C1 ZINC000081537965 183231695 /nfs/dbraw/zinc/23/16/95/183231695.db2.gz YAKJUCZSQFUBGW-UWVGGRQHSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@H]1CCCC[C@@H]1[N@H+]1CCn2cnnc2C1 ZINC000081537965 183231698 /nfs/dbraw/zinc/23/16/98/183231698.db2.gz YAKJUCZSQFUBGW-UWVGGRQHSA-N 1 2 222.292 0.397 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccno1 ZINC000265991722 169094765 /nfs/dbraw/zinc/09/47/65/169094765.db2.gz KAEVEJLMBWZVCG-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccno1 ZINC000265991722 169094769 /nfs/dbraw/zinc/09/47/69/169094769.db2.gz KAEVEJLMBWZVCG-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CCCN(CC(=O)NC)Cc1[nH+]ccn1C ZINC000102514555 169096687 /nfs/dbraw/zinc/09/66/87/169096687.db2.gz YDSMUYBVVUIXLG-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000061709173 183239099 /nfs/dbraw/zinc/23/90/99/183239099.db2.gz NMYRJGYITXTSFM-QMMMGPOBSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000061709173 183239101 /nfs/dbraw/zinc/23/91/01/183239101.db2.gz NMYRJGYITXTSFM-QMMMGPOBSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@H]1CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000370612372 183240216 /nfs/dbraw/zinc/24/02/16/183240216.db2.gz LVKPAOWMDZYQBF-JTQLQIEISA-N 1 2 230.271 0.838 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1O ZINC000086331780 183244377 /nfs/dbraw/zinc/24/43/77/183244377.db2.gz UQWFNACBUJJILP-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@@H]1O ZINC000086331780 183244380 /nfs/dbraw/zinc/24/43/80/183244380.db2.gz UQWFNACBUJJILP-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC000086331645 183244442 /nfs/dbraw/zinc/24/44/42/183244442.db2.gz FWQMOKWUKWXPLP-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC000086331645 183244444 /nfs/dbraw/zinc/24/44/44/183244444.db2.gz FWQMOKWUKWXPLP-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO CCCN(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338031153 169116687 /nfs/dbraw/zinc/11/66/87/169116687.db2.gz SBKINLIHMOZSID-LBPRGKRZSA-N 1 2 241.379 0.881 20 0 BCADLO O[C@H]1CCCC[C@H]1[N@@H+]1CCn2cnnc2C1 ZINC000081537962 183232675 /nfs/dbraw/zinc/23/26/75/183232675.db2.gz YAKJUCZSQFUBGW-ZJUUUORDSA-N 1 2 222.292 0.397 20 0 BCADLO O[C@H]1CCCC[C@H]1[N@H+]1CCn2cnnc2C1 ZINC000081537962 183232677 /nfs/dbraw/zinc/23/26/77/183232677.db2.gz YAKJUCZSQFUBGW-ZJUUUORDSA-N 1 2 222.292 0.397 20 0 BCADLO O=c1[nH]nc(CN2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000329259835 183306237 /nfs/dbraw/zinc/30/62/37/183306237.db2.gz DRBZPNPITISYEO-UHFFFAOYSA-N 1 2 237.307 0.180 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)[nH]1 ZINC000328616735 183306548 /nfs/dbraw/zinc/30/65/48/183306548.db2.gz SUEJHTFNLWTVLV-VXNVDRBHSA-N 1 2 224.264 0.167 20 0 BCADLO CCC[N@H+](CCO)Cc1oncc1C(=O)OC ZINC000285938547 169167413 /nfs/dbraw/zinc/16/74/13/169167413.db2.gz JGOIMYLSXIZVSE-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO CCC[N@@H+](CCO)Cc1oncc1C(=O)OC ZINC000285938547 169167414 /nfs/dbraw/zinc/16/74/14/169167414.db2.gz JGOIMYLSXIZVSE-UHFFFAOYSA-N 1 2 242.275 0.666 20 0 BCADLO c1c[nH+]c(CN2C[C@@H]3COC[C@H](C2)O3)[nH]1 ZINC000328693085 183326082 /nfs/dbraw/zinc/32/60/82/183326082.db2.gz RYMCFJIWBTVFMT-DTORHVGOSA-N 1 2 209.249 0.009 20 0 BCADLO O=C1N=NC2C[N@H+](CC[C@@H]3CCOC3)CCN12 ZINC000328610776 183309958 /nfs/dbraw/zinc/30/99/58/183309958.db2.gz NZLOMMBQHKSABZ-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=C1N=NC2C[N@@H+](CC[C@@H]3CCOC3)CCN12 ZINC000328610776 183309960 /nfs/dbraw/zinc/30/99/60/183309960.db2.gz NZLOMMBQHKSABZ-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000328610776 183309961 /nfs/dbraw/zinc/30/99/61/183309961.db2.gz NZLOMMBQHKSABZ-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC[C@@H]1CCOC1)C2 ZINC000328610776 183309964 /nfs/dbraw/zinc/30/99/64/183309964.db2.gz NZLOMMBQHKSABZ-SECBINFHSA-N 1 2 238.291 0.226 20 0 BCADLO CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183136068 169204423 /nfs/dbraw/zinc/20/44/23/169204423.db2.gz CRVDUXOURUNKLV-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183136068 169204424 /nfs/dbraw/zinc/20/44/24/169204424.db2.gz CRVDUXOURUNKLV-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115575660 169223277 /nfs/dbraw/zinc/22/32/77/169223277.db2.gz KJBWGEKTNZLLKJ-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115575660 169223278 /nfs/dbraw/zinc/22/32/78/169223278.db2.gz KJBWGEKTNZLLKJ-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000336781836 169228149 /nfs/dbraw/zinc/22/81/49/169228149.db2.gz VWBXLSZRBYFTIW-ZETCQYMHSA-N 1 2 226.280 0.555 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000336754440 169228514 /nfs/dbraw/zinc/22/85/14/169228514.db2.gz HHSNAWGCMGAZCO-MRVPVSSYSA-N 1 2 211.265 0.851 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282091288 169229140 /nfs/dbraw/zinc/22/91/40/169229140.db2.gz IEVFQVDQBTZJNC-SNVBAGLBSA-N 1 2 238.335 0.905 20 0 BCADLO CCCNC(=O)C[NH2+][C@H]1CCn2ccnc21 ZINC000345358291 169229632 /nfs/dbraw/zinc/22/96/32/169229632.db2.gz WVDAPNHDFZHJSL-VIFPVBQESA-N 1 2 222.292 0.444 20 0 BCADLO c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)no1 ZINC000375232324 183344758 /nfs/dbraw/zinc/34/47/58/183344758.db2.gz ACKGAVDKKYELEF-LLVKDONJSA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)no1 ZINC000375232324 183344759 /nfs/dbraw/zinc/34/47/59/183344759.db2.gz ACKGAVDKKYELEF-LLVKDONJSA-N 1 2 223.276 0.191 20 0 BCADLO c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)n[nH]1 ZINC000121089317 183347125 /nfs/dbraw/zinc/34/71/25/183347125.db2.gz KOQNZWARTLBPQU-LBPRGKRZSA-N 1 2 236.319 0.316 20 0 BCADLO CCCNC(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339223966 169217222 /nfs/dbraw/zinc/21/72/22/169217222.db2.gz PZAFIGPODGRHKV-UHFFFAOYSA-N 1 2 238.291 0.364 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180416619 169219236 /nfs/dbraw/zinc/21/92/36/169219236.db2.gz FCYGZAXGXYUHJK-JTQLQIEISA-N 1 2 238.335 0.939 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180416619 169219237 /nfs/dbraw/zinc/21/92/37/169219237.db2.gz FCYGZAXGXYUHJK-JTQLQIEISA-N 1 2 238.335 0.939 20 0 BCADLO CCCNC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330775799 169222682 /nfs/dbraw/zinc/22/26/82/169222682.db2.gz IEGGYYIUJHFGFF-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO c1cc2[nH+]ccc(NC[C@H]3COCCO3)c2cn1 ZINC000333350054 183364184 /nfs/dbraw/zinc/36/41/84/183364184.db2.gz RKZHYSPWWRGWCX-JTQLQIEISA-N 1 2 245.282 0.879 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339622170 169246936 /nfs/dbraw/zinc/24/69/36/169246936.db2.gz LGLFVGXXWZXNAE-SRVKXCTJSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376183343 169249329 /nfs/dbraw/zinc/24/93/29/169249329.db2.gz XXTHNPSTGXCKTA-VIFPVBQESA-N 1 2 207.277 0.972 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCNC(=O)C[C@H]1C ZINC000371184291 169298737 /nfs/dbraw/zinc/29/87/37/169298737.db2.gz NALMADIMTRILFV-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCNC(=O)C[C@H]1C ZINC000371184291 169298739 /nfs/dbraw/zinc/29/87/39/169298739.db2.gz NALMADIMTRILFV-NXEZZACHSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435237 169299716 /nfs/dbraw/zinc/29/97/16/169299716.db2.gz RBHWFBIKZHRHOA-VHSXEESVSA-N 1 2 227.304 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435237 169299717 /nfs/dbraw/zinc/29/97/17/169299717.db2.gz RBHWFBIKZHRHOA-VHSXEESVSA-N 1 2 227.304 0.785 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnn1C ZINC000130440740 169414369 /nfs/dbraw/zinc/41/43/69/169414369.db2.gz ZPQGOLOGLKIEDC-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnn1C ZINC000130440740 169414370 /nfs/dbraw/zinc/41/43/70/169414370.db2.gz ZPQGOLOGLKIEDC-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO c1snnc1C[NH2+]C[C@H]1COCCO1 ZINC000038054796 183555662 /nfs/dbraw/zinc/55/56/62/183555662.db2.gz CRTISESYTMSRQZ-QMMMGPOBSA-N 1 2 215.278 0.043 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)n(C)n1 ZINC000193712660 259609349 /nfs/dbraw/zinc/60/93/49/259609349.db2.gz QPBQWVVGMRKUEU-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(N)=O ZINC000286267561 169507606 /nfs/dbraw/zinc/50/76/06/169507606.db2.gz HBBZARSZQHQDNG-ZETCQYMHSA-N 1 2 224.264 0.102 20 0 BCADLO CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000339692216 169652493 /nfs/dbraw/zinc/65/24/93/169652493.db2.gz YPGDIHBZPPUDOB-NSHDSACASA-N 1 2 228.336 0.964 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184834007 134369213 /nfs/dbraw/zinc/36/92/13/134369213.db2.gz IFQVHBMOYUBNFB-GUBZILKMSA-N 1 2 242.319 0.572 20 0 BCADLO CC(C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047575010 383825151 /nfs/dbraw/zinc/82/51/51/383825151.db2.gz QGSPUTTWIHLQDV-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)=CC(=O)NCC[NH+]1CCOCC1 ZINC000048090339 383839738 /nfs/dbraw/zinc/83/97/38/383839738.db2.gz CJWCUNQVZYQCHB-UHFFFAOYSA-N 1 2 212.293 0.401 20 0 BCADLO COC(=O)[C@@H]1CCCCN1Cc1[nH+]ccn1C ZINC000111364580 383859052 /nfs/dbraw/zinc/85/90/52/383859052.db2.gz WNPPEJYTGYJSQK-JTQLQIEISA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000066499689 383867277 /nfs/dbraw/zinc/86/72/77/383867277.db2.gz BPXHKUNAEIMRQU-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO CCc1cnc(C[N@H+](CCO)C[C@@H](C)O)o1 ZINC000518443519 383875400 /nfs/dbraw/zinc/87/54/00/383875400.db2.gz IFBTXXZHLHOGLS-SECBINFHSA-N 1 2 228.292 0.412 20 0 BCADLO CCc1cnc(C[N@@H+](CCO)C[C@@H](C)O)o1 ZINC000518443519 383875404 /nfs/dbraw/zinc/87/54/04/383875404.db2.gz IFBTXXZHLHOGLS-SECBINFHSA-N 1 2 228.292 0.412 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000305151271 383829946 /nfs/dbraw/zinc/82/99/46/383829946.db2.gz AAVHORQLUMTKAV-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000305151271 383829952 /nfs/dbraw/zinc/82/99/52/383829952.db2.gz AAVHORQLUMTKAV-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO CC(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000047463790 383835060 /nfs/dbraw/zinc/83/50/60/383835060.db2.gz CHPNJDUTHYLNCQ-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104525 383911571 /nfs/dbraw/zinc/91/15/71/383911571.db2.gz QPTMZHYODFIMKB-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104525 383911574 /nfs/dbraw/zinc/91/15/74/383911574.db2.gz QPTMZHYODFIMKB-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000050104326 383913683 /nfs/dbraw/zinc/91/36/83/383913683.db2.gz KSVGZSYPADJKGY-VIFPVBQESA-N 1 2 211.265 0.582 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](CO)C2)no1 ZINC000050104326 383913687 /nfs/dbraw/zinc/91/36/87/383913687.db2.gz KSVGZSYPADJKGY-VIFPVBQESA-N 1 2 211.265 0.582 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000310074296 383883892 /nfs/dbraw/zinc/88/38/92/383883892.db2.gz CIFQTOBNIPNTQE-YTWAJWBKSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000310074296 383883897 /nfs/dbraw/zinc/88/38/97/383883897.db2.gz CIFQTOBNIPNTQE-YTWAJWBKSA-N 1 2 243.303 0.162 20 0 BCADLO COCC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408196479 383885644 /nfs/dbraw/zinc/88/56/44/383885644.db2.gz CPSKELWOYXUVQG-QMMMGPOBSA-N 1 2 226.280 0.684 20 0 BCADLO COCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408196479 383885647 /nfs/dbraw/zinc/88/56/47/383885647.db2.gz CPSKELWOYXUVQG-QMMMGPOBSA-N 1 2 226.280 0.684 20 0 BCADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)N(C)C ZINC000493706394 533020331 /nfs/dbraw/zinc/02/03/31/533020331.db2.gz LZDXEKJNGQGCQN-WTSVBCDHSA-N 1 2 236.275 0.016 20 0 BCADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N(C)C ZINC000066864536 383894961 /nfs/dbraw/zinc/89/49/61/383894961.db2.gz USIWRCRKJBIYGF-JTQLQIEISA-N 1 2 221.304 0.953 20 0 BCADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N(C)C ZINC000066864536 383894968 /nfs/dbraw/zinc/89/49/68/383894968.db2.gz USIWRCRKJBIYGF-JTQLQIEISA-N 1 2 221.304 0.953 20 0 BCADLO CC(=O)c1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088371899 383898918 /nfs/dbraw/zinc/89/89/18/383898918.db2.gz GUYUUBONWKOONZ-GFCCVEGCSA-N 1 2 248.282 0.816 20 0 BCADLO Cc1nc(C(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000292364298 383902180 /nfs/dbraw/zinc/90/21/80/383902180.db2.gz RJTCSTAJEWDGTR-UHFFFAOYSA-N 1 2 223.276 0.679 20 0 BCADLO Cc1nn(Cc2c[nH+]cn2C)c(C)c1N ZINC000401749202 383905448 /nfs/dbraw/zinc/90/54/48/383905448.db2.gz WVYHFIAYAUSZTF-UHFFFAOYSA-N 1 2 205.265 0.864 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H](O)C1 ZINC000068264572 383981076 /nfs/dbraw/zinc/98/10/76/383981076.db2.gz POZPWYNSEGBCOC-NSHDSACASA-N 1 2 245.282 0.931 20 0 BCADLO CCn1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000569365319 383936946 /nfs/dbraw/zinc/93/69/46/383936946.db2.gz NNAJHAOKBODVAI-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)no1 ZINC000334291426 383939051 /nfs/dbraw/zinc/93/90/51/383939051.db2.gz DGVQHLKABRPOPU-JTQLQIEISA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@@H]2CO)no1 ZINC000334291426 383939058 /nfs/dbraw/zinc/93/90/58/383939058.db2.gz DGVQHLKABRPOPU-JTQLQIEISA-N 1 2 228.317 0.893 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367830075 384000387 /nfs/dbraw/zinc/00/03/87/384000387.db2.gz ADANKUUGYXDHLP-URLYPYJESA-N 1 2 227.304 0.500 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367830075 384000394 /nfs/dbraw/zinc/00/03/94/384000394.db2.gz ADANKUUGYXDHLP-URLYPYJESA-N 1 2 227.304 0.500 20 0 BCADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368113229 383976951 /nfs/dbraw/zinc/97/69/51/383976951.db2.gz IHKDZBLNJBAWPY-HRDYMLBCSA-N 1 2 248.273 0.667 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000518562283 384018728 /nfs/dbraw/zinc/01/87/28/384018728.db2.gz DTPQUSUGQBNWOS-PTOFAABTSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000518562283 384018736 /nfs/dbraw/zinc/01/87/36/384018736.db2.gz DTPQUSUGQBNWOS-PTOFAABTSA-N 1 2 237.303 0.618 20 0 BCADLO COC(=O)CN(C)Cc1cc[nH+]c(N)c1 ZINC000278533170 384007318 /nfs/dbraw/zinc/00/73/18/384007318.db2.gz QTGQHJZTLVHUJU-UHFFFAOYSA-N 1 2 209.249 0.269 20 0 BCADLO CCOCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000035098300 384015347 /nfs/dbraw/zinc/01/53/47/384015347.db2.gz WBNYBIADWDAENI-VIFPVBQESA-N 1 2 203.282 0.810 20 0 BCADLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ncn(C)n1 ZINC000401813395 384055461 /nfs/dbraw/zinc/05/54/61/384055461.db2.gz GYAHSHRPQXHQMU-HRDYMLBCSA-N 1 2 210.281 0.643 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000076346831 384056767 /nfs/dbraw/zinc/05/67/67/384056767.db2.gz IYQSQXGDMZWUIO-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000076346831 384056775 /nfs/dbraw/zinc/05/67/75/384056775.db2.gz IYQSQXGDMZWUIO-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000221212107 384071655 /nfs/dbraw/zinc/07/16/55/384071655.db2.gz SIBRGRODVIXIPO-WPRPVWTQSA-N 1 2 247.302 0.570 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000569481574 384106822 /nfs/dbraw/zinc/10/68/22/384106822.db2.gz MBSXNUHZGDOSJZ-ZETCQYMHSA-N 1 2 225.296 0.242 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000569481574 384106825 /nfs/dbraw/zinc/10/68/25/384106825.db2.gz MBSXNUHZGDOSJZ-ZETCQYMHSA-N 1 2 225.296 0.242 20 0 BCADLO Cn1cccc1C(=O)C[N@H+](CCO)C1CC1 ZINC000050158199 384115711 /nfs/dbraw/zinc/11/57/11/384115711.db2.gz JBNMDGYBXWSLRA-UHFFFAOYSA-N 1 2 222.288 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+](CCO)C1CC1 ZINC000050158199 384115718 /nfs/dbraw/zinc/11/57/18/384115718.db2.gz JBNMDGYBXWSLRA-UHFFFAOYSA-N 1 2 222.288 0.665 20 0 BCADLO COCCOCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000079409291 384137758 /nfs/dbraw/zinc/13/77/58/384137758.db2.gz NZZLBEOHURETOB-UHFFFAOYSA-N 1 2 247.335 0.923 20 0 BCADLO COCCOCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000079409291 384137766 /nfs/dbraw/zinc/13/77/66/384137766.db2.gz NZZLBEOHURETOB-UHFFFAOYSA-N 1 2 247.335 0.923 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000560469876 384155604 /nfs/dbraw/zinc/15/56/04/384155604.db2.gz ZEBKOVMDKQOUMT-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000560469876 384155606 /nfs/dbraw/zinc/15/56/06/384155606.db2.gz ZEBKOVMDKQOUMT-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO CCOCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227768799 134392833 /nfs/dbraw/zinc/39/28/33/134392833.db2.gz XCNJIXIIYXEOOP-SECBINFHSA-N 1 2 201.266 0.564 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000091673922 384138278 /nfs/dbraw/zinc/13/82/78/384138278.db2.gz BCEVNPMMBDPLJM-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000091673922 384138279 /nfs/dbraw/zinc/13/82/79/384138279.db2.gz BCEVNPMMBDPLJM-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1c(O)cccc1O ZINC000092121735 384140458 /nfs/dbraw/zinc/14/04/58/384140458.db2.gz RDOFMKXESKUJBC-UHFFFAOYSA-N 1 2 233.227 0.751 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000116994757 384159636 /nfs/dbraw/zinc/15/96/36/384159636.db2.gz RFHFRUMTRQCYID-KHVHVRLGSA-N 1 2 238.740 0.362 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000116994757 384159643 /nfs/dbraw/zinc/15/96/43/384159643.db2.gz RFHFRUMTRQCYID-KHVHVRLGSA-N 1 2 238.740 0.362 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)Cc1c[nH+]cn1C ZINC000558551997 384163414 /nfs/dbraw/zinc/16/34/14/384163414.db2.gz ZPVIRMYMVKXJCL-GFCCVEGCSA-N 1 2 239.319 0.630 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000375943642 384176802 /nfs/dbraw/zinc/17/68/02/384176802.db2.gz WFWPCKDWUPJQLX-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000375943642 384176812 /nfs/dbraw/zinc/17/68/12/384176812.db2.gz WFWPCKDWUPJQLX-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)c1ccc(NCCn2cc[nH+]c2)nn1 ZINC000041065940 384178165 /nfs/dbraw/zinc/17/81/65/384178165.db2.gz SMDQGCIOKHQQSW-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)o1 ZINC000081606153 384192652 /nfs/dbraw/zinc/19/26/52/384192652.db2.gz GJOZHYVDJPEQLX-SECBINFHSA-N 1 2 225.292 0.973 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000294040164 384192841 /nfs/dbraw/zinc/19/28/41/384192841.db2.gz SJFVFIRUSRDKDA-DTORHVGOSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000294040164 384192846 /nfs/dbraw/zinc/19/28/46/384192846.db2.gz SJFVFIRUSRDKDA-DTORHVGOSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ccc(NC(=O)Cn2cnnn2)c(C)[nH+]1 ZINC000119164774 384241093 /nfs/dbraw/zinc/24/10/93/384241093.db2.gz MZJPRZNAFPEHIX-UHFFFAOYSA-N 1 2 232.247 0.324 20 0 BCADLO CC(C)(C)OCC(=O)NCCn1cc[nH+]c1 ZINC000158513663 384239591 /nfs/dbraw/zinc/23/95/91/384239591.db2.gz GHTTWZMLBRXGEK-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO Cn1cccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084955 384210975 /nfs/dbraw/zinc/21/09/75/384210975.db2.gz NJXISLQPZBZTFC-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1cccc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084955 384210984 /nfs/dbraw/zinc/21/09/84/384210984.db2.gz NJXISLQPZBZTFC-UHFFFAOYSA-N 1 2 221.304 0.736 20 0 BCADLO Cn1cc(C(=O)NCCCCn2cc[nH+]c2)cn1 ZINC000082258679 384212414 /nfs/dbraw/zinc/21/24/14/384212414.db2.gz RMPAFNFJGNKLGF-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)NCC ZINC000187320964 384212830 /nfs/dbraw/zinc/21/28/30/384212830.db2.gz GHBBFIKKLCZCCT-LBPRGKRZSA-N 1 2 241.335 0.113 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)NCC ZINC000187320964 384212834 /nfs/dbraw/zinc/21/28/34/384212834.db2.gz GHBBFIKKLCZCCT-LBPRGKRZSA-N 1 2 241.335 0.113 20 0 BCADLO C[NH2+]CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000082276179 384219901 /nfs/dbraw/zinc/21/99/01/384219901.db2.gz VIEVLEVWYGUAET-UHFFFAOYSA-N 1 2 205.221 0.116 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnccn2)C[C@H](CO)O1 ZINC000402891512 384221573 /nfs/dbraw/zinc/22/15/73/384221573.db2.gz FQFCDJFSLNSOBS-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnccn2)C[C@H](CO)O1 ZINC000402891512 384221580 /nfs/dbraw/zinc/22/15/80/384221580.db2.gz FQFCDJFSLNSOBS-CMPLNLGQSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)C[C@@H](CO)O1 ZINC000402891518 384223013 /nfs/dbraw/zinc/22/30/13/384223013.db2.gz FQFCDJFSLNSOBS-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)C[C@@H](CO)O1 ZINC000402891518 384223018 /nfs/dbraw/zinc/22/30/18/384223018.db2.gz FQFCDJFSLNSOBS-PWSUYJOCSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173847112 384223928 /nfs/dbraw/zinc/22/39/28/384223928.db2.gz GYGUAOZVZUEVGB-SNVBAGLBSA-N 1 2 226.320 0.895 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173847112 384223931 /nfs/dbraw/zinc/22/39/31/384223931.db2.gz GYGUAOZVZUEVGB-SNVBAGLBSA-N 1 2 226.320 0.895 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000093529196 384247990 /nfs/dbraw/zinc/24/79/90/384247990.db2.gz IDIQHDJIKUXMEW-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000093529196 384247997 /nfs/dbraw/zinc/24/79/97/384247997.db2.gz IDIQHDJIKUXMEW-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000093529631 384248171 /nfs/dbraw/zinc/24/81/71/384248171.db2.gz GSENKTXNJIZYFS-NSHDSACASA-N 1 2 225.292 0.565 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000093529631 384248182 /nfs/dbraw/zinc/24/81/82/384248182.db2.gz GSENKTXNJIZYFS-NSHDSACASA-N 1 2 225.292 0.565 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1C ZINC000132784500 384252421 /nfs/dbraw/zinc/25/24/21/384252421.db2.gz VJJYOVRQHVCAOQ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1C ZINC000132784500 384252428 /nfs/dbraw/zinc/25/24/28/384252428.db2.gz VJJYOVRQHVCAOQ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC(C)[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000158649253 384253267 /nfs/dbraw/zinc/25/32/67/384253267.db2.gz SHPARTLHFMECJQ-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO O=C(c1cc(C2CC2)[nH]n1)N1CC[NH2+]CC1 ZINC000082643103 384253997 /nfs/dbraw/zinc/25/39/97/384253997.db2.gz ANKMDVIMLFVOJV-UHFFFAOYSA-N 1 2 220.276 0.333 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]nc1C ZINC000093771883 384268709 /nfs/dbraw/zinc/26/87/09/384268709.db2.gz RXOYBGAEOJVRJX-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]nc1C ZINC000093771883 384268716 /nfs/dbraw/zinc/26/87/16/384268716.db2.gz RXOYBGAEOJVRJX-LLVKDONJSA-N 1 2 236.319 0.819 20 0 BCADLO Cc1nc(N2CCCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000304464039 384321043 /nfs/dbraw/zinc/32/10/43/384321043.db2.gz MRFQVSOFJHEUAP-ZETCQYMHSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N2CCCO[C@@H](C)C2)[nH+]1 ZINC000304464039 384321046 /nfs/dbraw/zinc/32/10/46/384321046.db2.gz MRFQVSOFJHEUAP-ZETCQYMHSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nnc(N(C)Cc2[nH]cc[nH+]2)nc1C ZINC000359593940 384279100 /nfs/dbraw/zinc/27/91/00/384279100.db2.gz DAKMVZUWDNKBPZ-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000305645598 384280945 /nfs/dbraw/zinc/28/09/45/384280945.db2.gz AOCVHIYRRZTSRG-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000305645598 384280956 /nfs/dbraw/zinc/28/09/56/384280956.db2.gz AOCVHIYRRZTSRG-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000187827835 384321715 /nfs/dbraw/zinc/32/17/15/384321715.db2.gz UVBJEGHQLFOTQA-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000187827835 384321720 /nfs/dbraw/zinc/32/17/20/384321720.db2.gz UVBJEGHQLFOTQA-JTQLQIEISA-N 1 2 239.323 0.865 20 0 BCADLO Cc1nc(N2CCC(C)(O)CC2)nc(N)[nH+]1 ZINC000304422912 384298000 /nfs/dbraw/zinc/29/80/00/384298000.db2.gz DUEWOYGPYNZCCT-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N)nc(N2CCC(C)(O)CC2)[nH+]1 ZINC000304422912 384298003 /nfs/dbraw/zinc/29/80/03/384298003.db2.gz DUEWOYGPYNZCCT-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCn1cccn1 ZINC000119711170 384299280 /nfs/dbraw/zinc/29/92/80/384299280.db2.gz CRUHTBLLEMBRLF-VIFPVBQESA-N 1 2 211.265 0.376 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCn1cccn1 ZINC000119711170 384299284 /nfs/dbraw/zinc/29/92/84/384299284.db2.gz CRUHTBLLEMBRLF-VIFPVBQESA-N 1 2 211.265 0.376 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000119715220 384299569 /nfs/dbraw/zinc/29/95/69/384299569.db2.gz AGDKCKYYSCHMAT-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000119715220 384299574 /nfs/dbraw/zinc/29/95/74/384299574.db2.gz AGDKCKYYSCHMAT-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO C[C@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000120187001 384335142 /nfs/dbraw/zinc/33/51/42/384335142.db2.gz KBKPFROSYLPLNU-ZETCQYMHSA-N 1 2 234.263 0.037 20 0 BCADLO C[C@H](C(N)=O)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120191715 384335741 /nfs/dbraw/zinc/33/57/41/384335741.db2.gz OCPCIZPMFMGPPY-SSDOTTSWSA-N 1 2 229.711 0.984 20 0 BCADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120191715 384335746 /nfs/dbraw/zinc/33/57/46/384335746.db2.gz OCPCIZPMFMGPPY-SSDOTTSWSA-N 1 2 229.711 0.984 20 0 BCADLO Cc1csc(NC(=O)[C@H]2COCC[NH2+]2)n1 ZINC000083872152 384339494 /nfs/dbraw/zinc/33/94/94/384339494.db2.gz ALAIADNEEVJPAM-SSDOTTSWSA-N 1 2 227.289 0.378 20 0 BCADLO Cc1nc(N2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000304516101 384344625 /nfs/dbraw/zinc/34/46/25/384344625.db2.gz RRMCLKPFLWGTLP-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N2CCOC(C)(C)C2)[nH+]1 ZINC000304516101 384344631 /nfs/dbraw/zinc/34/46/31/384344631.db2.gz RRMCLKPFLWGTLP-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO COCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000304520304 384345049 /nfs/dbraw/zinc/34/50/49/384345049.db2.gz SCKUBAYFTVHSHJ-UHFFFAOYSA-N 1 2 225.296 0.991 20 0 BCADLO COCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000304520304 384345055 /nfs/dbraw/zinc/34/50/55/384345055.db2.gz SCKUBAYFTVHSHJ-UHFFFAOYSA-N 1 2 225.296 0.991 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)CCn1cc[nH+]c1 ZINC000294057731 384366774 /nfs/dbraw/zinc/36/67/74/384366774.db2.gz JVSSRWQEQOUOER-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO COC[C@@H](C)C[NH+]1CC(O)(C(F)F)C1 ZINC000644905621 384372640 /nfs/dbraw/zinc/37/26/40/384372640.db2.gz MCKPMEQRFXODQD-ZETCQYMHSA-N 1 2 209.236 0.581 20 0 BCADLO Cc1nc(N[C@H]2CC[C@H](O)CC2)nc(N)[nH+]1 ZINC000304536632 384372654 /nfs/dbraw/zinc/37/26/54/384372654.db2.gz VEJTZNCSHXNXTR-ZKCHVHJHSA-N 1 2 223.280 0.478 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000304536632 384372660 /nfs/dbraw/zinc/37/26/60/384372660.db2.gz VEJTZNCSHXNXTR-ZKCHVHJHSA-N 1 2 223.280 0.478 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332669055 384328991 /nfs/dbraw/zinc/32/89/91/384328991.db2.gz QHIRMMXRCVJAHC-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332669055 384328993 /nfs/dbraw/zinc/32/89/93/384328993.db2.gz QHIRMMXRCVJAHC-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332669052 384329004 /nfs/dbraw/zinc/32/90/04/384329004.db2.gz QHIRMMXRCVJAHC-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332669052 384329008 /nfs/dbraw/zinc/32/90/08/384329008.db2.gz QHIRMMXRCVJAHC-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](CO)CC2)no1 ZINC000331581713 384391834 /nfs/dbraw/zinc/39/18/34/384391834.db2.gz FRTITHOAEVOFKM-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](CO)CC2)no1 ZINC000331581713 384391841 /nfs/dbraw/zinc/39/18/41/384391841.db2.gz FRTITHOAEVOFKM-JTQLQIEISA-N 1 2 225.292 0.972 20 0 BCADLO CC(C)n1cncc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000331592419 384392437 /nfs/dbraw/zinc/39/24/37/384392437.db2.gz GRYYNHUNLCGPNR-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1cncc1C[N@H+]1CCOC[C@H](O)C1 ZINC000331592419 384392440 /nfs/dbraw/zinc/39/24/40/384392440.db2.gz GRYYNHUNLCGPNR-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO Cc1nc(N[C@@H]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000304555335 384397194 /nfs/dbraw/zinc/39/71/94/384397194.db2.gz XZAGIKUQGFYJPB-HTRCEHHLSA-N 1 2 223.280 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCO[C@H](C)C2)[nH+]1 ZINC000304555335 384397205 /nfs/dbraw/zinc/39/72/05/384397205.db2.gz XZAGIKUQGFYJPB-HTRCEHHLSA-N 1 2 223.280 0.742 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]21 ZINC000156713964 384406529 /nfs/dbraw/zinc/40/65/29/384406529.db2.gz YXNXLMJHBFWFHX-VHSXEESVSA-N 1 2 241.335 0.509 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]21 ZINC000156713964 384406533 /nfs/dbraw/zinc/40/65/33/384406533.db2.gz YXNXLMJHBFWFHX-VHSXEESVSA-N 1 2 241.335 0.509 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](O)CC2)no1 ZINC000331649736 384412816 /nfs/dbraw/zinc/41/28/16/384412816.db2.gz OIMCUAKUBMBOFB-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](O)CC2)no1 ZINC000331649736 384412822 /nfs/dbraw/zinc/41/28/22/384412822.db2.gz OIMCUAKUBMBOFB-SECBINFHSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC(=O)NC1CC1 ZINC000121476963 384420136 /nfs/dbraw/zinc/42/01/36/384420136.db2.gz JOEYMTCMKIWZED-UHFFFAOYSA-N 1 2 248.286 0.790 20 0 BCADLO CC(C)(C)[C@@H]([NH2+]Cc1nccc(N)n1)C(N)=O ZINC000135185135 384422240 /nfs/dbraw/zinc/42/22/40/384422240.db2.gz MPJCWBWOFUMWAU-VIFPVBQESA-N 1 2 237.307 0.048 20 0 BCADLO O=C1NCCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000560833607 384376498 /nfs/dbraw/zinc/37/64/98/384376498.db2.gz SJFOINCLGCVFCO-VIFPVBQESA-N 1 2 247.302 0.741 20 0 BCADLO O=C1NCCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000560833607 384376502 /nfs/dbraw/zinc/37/65/02/384376502.db2.gz SJFOINCLGCVFCO-VIFPVBQESA-N 1 2 247.302 0.741 20 0 BCADLO CCn1nncc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000556677100 384449475 /nfs/dbraw/zinc/44/94/75/384449475.db2.gz UVUPUTVUAULPAX-UHFFFAOYSA-N 1 2 245.286 0.984 20 0 BCADLO CC[C@@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000200976043 384454587 /nfs/dbraw/zinc/45/45/87/384454587.db2.gz XCRBGBZFRMDSPI-IUCAKERBSA-N 1 2 203.282 0.953 20 0 BCADLO CC[C@H](C[NH2+][C@H](CC)C(=O)OC)OC ZINC000200976140 384455180 /nfs/dbraw/zinc/45/51/80/384455180.db2.gz XCRBGBZFRMDSPI-RKDXNWHRSA-N 1 2 203.282 0.953 20 0 BCADLO C[C@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000160721205 384430298 /nfs/dbraw/zinc/43/02/98/384430298.db2.gz VEEFBWLLIZHBGJ-SSDOTTSWSA-N 1 2 234.263 0.037 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000361370444 384431462 /nfs/dbraw/zinc/43/14/62/384431462.db2.gz ADWWSUGDCAVRIG-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000361370444 384431472 /nfs/dbraw/zinc/43/14/72/384431472.db2.gz ADWWSUGDCAVRIG-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000361370443 384431506 /nfs/dbraw/zinc/43/15/06/384431506.db2.gz ADWWSUGDCAVRIG-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000361370443 384431513 /nfs/dbraw/zinc/43/15/13/384431513.db2.gz ADWWSUGDCAVRIG-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000101553469 384443471 /nfs/dbraw/zinc/44/34/71/384443471.db2.gz BQBCKZQUKYWDDX-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000101553469 384443475 /nfs/dbraw/zinc/44/34/75/384443475.db2.gz BQBCKZQUKYWDDX-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000136158446 384485056 /nfs/dbraw/zinc/48/50/56/384485056.db2.gz ZSUHLEUKMOXWAU-LLVKDONJSA-N 1 2 249.314 0.107 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CCOCCO ZINC000306013640 384469255 /nfs/dbraw/zinc/46/92/55/384469255.db2.gz MRWDJVFHBCQLNZ-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CCOCCO ZINC000306013640 384469262 /nfs/dbraw/zinc/46/92/62/384469262.db2.gz MRWDJVFHBCQLNZ-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249069529 384475645 /nfs/dbraw/zinc/47/56/45/384475645.db2.gz KSQGMNYMUPCIDO-OPRDCNLKSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249069529 384475651 /nfs/dbraw/zinc/47/56/51/384475651.db2.gz KSQGMNYMUPCIDO-OPRDCNLKSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCSC)CCO1 ZINC000122428050 384483448 /nfs/dbraw/zinc/48/34/48/384483448.db2.gz RVDQAMAVIBRRPQ-MRVPVSSYSA-N 1 2 219.306 0.223 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCSC)CCO1 ZINC000122428050 384483453 /nfs/dbraw/zinc/48/34/53/384483453.db2.gz RVDQAMAVIBRRPQ-MRVPVSSYSA-N 1 2 219.306 0.223 20 0 BCADLO CC[C@@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047602362 384458172 /nfs/dbraw/zinc/45/81/72/384458172.db2.gz JDIYMUZMOIGRJE-ZJUUUORDSA-N 1 2 240.307 0.342 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(F)ccc1=O ZINC000335752616 384495300 /nfs/dbraw/zinc/49/53/00/384495300.db2.gz SCKOWVHLOJSHBN-UHFFFAOYSA-N 1 2 207.208 0.769 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000556815310 384505086 /nfs/dbraw/zinc/50/50/86/384505086.db2.gz CUPFFYDXCMBTKQ-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCOC1 ZINC000556815310 384505092 /nfs/dbraw/zinc/50/50/92/384505092.db2.gz CUPFFYDXCMBTKQ-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249160230 384492262 /nfs/dbraw/zinc/49/22/62/384492262.db2.gz ZPNRSYPXLYDPEQ-DTWKUNHWSA-N 1 2 229.276 0.290 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249160230 384492270 /nfs/dbraw/zinc/49/22/70/384492270.db2.gz ZPNRSYPXLYDPEQ-DTWKUNHWSA-N 1 2 229.276 0.290 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)C(=O)N(C)C ZINC000359812923 384517076 /nfs/dbraw/zinc/51/70/76/384517076.db2.gz XOFOQSXTMYOABR-SSDOTTSWSA-N 1 2 246.261 0.845 20 0 BCADLO C[C@H](CCO)CNc1[nH+]cnc2c1cnn2C ZINC000097443436 384522924 /nfs/dbraw/zinc/52/29/24/384522924.db2.gz NLQRNQBQDSFCMJ-MRVPVSSYSA-N 1 2 235.291 0.794 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C[C@H](C)OC ZINC000556848795 384524276 /nfs/dbraw/zinc/52/42/76/384524276.db2.gz WYUCLDYPNXXOEP-JTQLQIEISA-N 1 2 241.339 0.940 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C[C@H](C)OC ZINC000556848795 384524280 /nfs/dbraw/zinc/52/42/80/384524280.db2.gz WYUCLDYPNXXOEP-JTQLQIEISA-N 1 2 241.339 0.940 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000294071630 384525844 /nfs/dbraw/zinc/52/58/44/384525844.db2.gz KWPGAIWLCRAWOI-ZJUUUORDSA-N 1 2 236.319 0.784 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000097031984 384527988 /nfs/dbraw/zinc/52/79/88/384527988.db2.gz RPKBCAVBYRWNTF-VIFPVBQESA-N 1 2 245.286 0.538 20 0 BCADLO CSCC[N@H+](C)Cc1nnc(C)n1C ZINC000170900429 384530651 /nfs/dbraw/zinc/53/06/51/384530651.db2.gz KIUVXGDOEDSSEP-UHFFFAOYSA-N 1 2 214.338 0.918 20 0 BCADLO CSCC[N@@H+](C)Cc1nnc(C)n1C ZINC000170900429 384530652 /nfs/dbraw/zinc/53/06/52/384530652.db2.gz KIUVXGDOEDSSEP-UHFFFAOYSA-N 1 2 214.338 0.918 20 0 BCADLO Cc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000080118746 384532157 /nfs/dbraw/zinc/53/21/57/384532157.db2.gz VECGHRLZYRAMBY-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000080118746 384532162 /nfs/dbraw/zinc/53/21/62/384532162.db2.gz VECGHRLZYRAMBY-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO COCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000533548579 384542206 /nfs/dbraw/zinc/54/22/06/384542206.db2.gz ZAMJBFVEFIWFKR-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000172184689 384543122 /nfs/dbraw/zinc/54/31/22/384543122.db2.gz BLKXXYMWZOIIMN-CYBMUJFWSA-N 1 2 249.314 0.419 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000172184689 384543134 /nfs/dbraw/zinc/54/31/34/384543134.db2.gz BLKXXYMWZOIIMN-CYBMUJFWSA-N 1 2 249.314 0.419 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cnn(C)c2)[N@H+](C)C1 ZINC000408035704 384543947 /nfs/dbraw/zinc/54/39/47/384543947.db2.gz ZGJPSROWJBOKCH-UWVGGRQHSA-N 1 2 238.291 0.078 20 0 BCADLO CO[C@H]1C[C@@H](C(=O)Nc2cnn(C)c2)[N@@H+](C)C1 ZINC000408035704 384543955 /nfs/dbraw/zinc/54/39/55/384543955.db2.gz ZGJPSROWJBOKCH-UWVGGRQHSA-N 1 2 238.291 0.078 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000372950038 384544407 /nfs/dbraw/zinc/54/44/07/384544407.db2.gz FAQFPCFYQOMYRU-KXUCPTDWSA-N 1 2 211.261 0.459 20 0 BCADLO Cc1nc(NC[C@H]2CCCC[C@@H]2O)nc(N)[nH+]1 ZINC000302656206 384545420 /nfs/dbraw/zinc/54/54/20/384545420.db2.gz XALGLGSZWNMXMR-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCCC[C@@H]2O)[nH+]1 ZINC000302656206 384545429 /nfs/dbraw/zinc/54/54/29/384545429.db2.gz XALGLGSZWNMXMR-BDAKNGLRSA-N 1 2 237.307 0.725 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCCO)[C@@H](C)CC ZINC000183587537 384547153 /nfs/dbraw/zinc/54/71/53/384547153.db2.gz ZJUGYBDSIKJCNT-VHSXEESVSA-N 1 2 217.309 0.936 20 0 BCADLO Cc1nc(NC[C@H]2CCC[C@@H](O)C2)nc(N)[nH+]1 ZINC000306069407 384569977 /nfs/dbraw/zinc/56/99/77/384569977.db2.gz BMKYGGNDMZIKBO-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC[C@@H](O)C2)[nH+]1 ZINC000306069407 384569982 /nfs/dbraw/zinc/56/99/82/384569982.db2.gz BMKYGGNDMZIKBO-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1cc(C)n(CC(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000331027781 384585797 /nfs/dbraw/zinc/58/57/97/384585797.db2.gz QJQQUMVDFOOPBR-UHFFFAOYSA-N 1 2 247.302 0.848 20 0 BCADLO CC(C)OCC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000647526823 384589516 /nfs/dbraw/zinc/58/95/16/384589516.db2.gz LUIMOSAPYVTFGT-SECBINFHSA-N 1 2 241.278 0.380 20 0 BCADLO Cc1nc(C[N@H+](C)CCCCCO)no1 ZINC000183703469 384565542 /nfs/dbraw/zinc/56/55/42/384565542.db2.gz DZJJAUQTSJILAW-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO Cc1nc(C[N@@H+](C)CCCCCO)no1 ZINC000183703469 384565549 /nfs/dbraw/zinc/56/55/49/384565549.db2.gz DZJJAUQTSJILAW-UHFFFAOYSA-N 1 2 213.281 0.972 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000123541692 384567295 /nfs/dbraw/zinc/56/72/95/384567295.db2.gz WWGJATPXCQKUFU-QMMMGPOBSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000123541692 384567301 /nfs/dbraw/zinc/56/73/01/384567301.db2.gz WWGJATPXCQKUFU-QMMMGPOBSA-N 1 2 208.265 0.038 20 0 BCADLO C[N@H+](CC(=O)N1CCNC1=O)Cc1cccnc1 ZINC000123568049 384567967 /nfs/dbraw/zinc/56/79/67/384567967.db2.gz PIYHWBQZQFDLJA-UHFFFAOYSA-N 1 2 248.286 0.065 20 0 BCADLO C[N@@H+](CC(=O)N1CCNC1=O)Cc1cccnc1 ZINC000123568049 384567973 /nfs/dbraw/zinc/56/79/73/384567973.db2.gz PIYHWBQZQFDLJA-UHFFFAOYSA-N 1 2 248.286 0.065 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+](CC(F)F)C1CC1 ZINC000171581625 384606448 /nfs/dbraw/zinc/60/64/48/384606448.db2.gz ANJWZWHALFKASX-JTQLQIEISA-N 1 2 245.273 0.974 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+](CC(F)F)C1CC1 ZINC000171581625 384606455 /nfs/dbraw/zinc/60/64/55/384606455.db2.gz ANJWZWHALFKASX-JTQLQIEISA-N 1 2 245.273 0.974 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000084378984 384614228 /nfs/dbraw/zinc/61/42/28/384614228.db2.gz AUIHNWYLPMTAGR-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000084378984 384614231 /nfs/dbraw/zinc/61/42/31/384614231.db2.gz AUIHNWYLPMTAGR-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC(N)=O)c1 ZINC000047628977 384624468 /nfs/dbraw/zinc/62/44/68/384624468.db2.gz LFGYYFHTDMCNTE-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O)c1 ZINC000047628977 384624472 /nfs/dbraw/zinc/62/44/72/384624472.db2.gz LFGYYFHTDMCNTE-SNVBAGLBSA-N 1 2 249.314 0.739 20 0 BCADLO COc1n[nH]c(NC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC000517961448 384592620 /nfs/dbraw/zinc/59/26/20/384592620.db2.gz VSFPVWUKQDVKQI-ZETCQYMHSA-N 1 2 239.279 0.094 20 0 BCADLO COc1n[nH]c(NC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC000517961448 384592632 /nfs/dbraw/zinc/59/26/32/384592632.db2.gz VSFPVWUKQDVKQI-ZETCQYMHSA-N 1 2 239.279 0.094 20 0 BCADLO COC[C@@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531025251 384670096 /nfs/dbraw/zinc/67/00/96/384670096.db2.gz FSBQNIAMTARFQO-JTQLQIEISA-N 1 2 237.303 0.939 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000172889819 384634205 /nfs/dbraw/zinc/63/42/05/384634205.db2.gz AASPOLOBFWMEOD-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000172889819 384634213 /nfs/dbraw/zinc/63/42/13/384634213.db2.gz AASPOLOBFWMEOD-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N(C)C ZINC000162523388 384638947 /nfs/dbraw/zinc/63/89/47/384638947.db2.gz ZACMLGAGJCBMAL-UHFFFAOYSA-N 1 2 210.281 0.238 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N(C)C ZINC000162523388 384638953 /nfs/dbraw/zinc/63/89/53/384638953.db2.gz ZACMLGAGJCBMAL-UHFFFAOYSA-N 1 2 210.281 0.238 20 0 BCADLO Cn1cc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000082258657 384654015 /nfs/dbraw/zinc/65/40/15/384654015.db2.gz LLFXAXPTKQNSEI-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO CO[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360109214 384658760 /nfs/dbraw/zinc/65/87/60/384658760.db2.gz FGWQINHIVWGORQ-JTQLQIEISA-N 1 2 238.291 0.350 20 0 BCADLO CN(CC[NH+]1CCOCC1)CC(F)F ZINC000171926233 384677430 /nfs/dbraw/zinc/67/74/30/384677430.db2.gz RAQRBUQAUSMJIJ-UHFFFAOYSA-N 1 2 208.252 0.516 20 0 BCADLO CNc1cc(N2CCC[C@@H]2CNC(C)=O)nc[nH+]1 ZINC000173423705 384680492 /nfs/dbraw/zinc/68/04/92/384680492.db2.gz KRLBQPLVXNSPKI-SNVBAGLBSA-N 1 2 249.318 0.623 20 0 BCADLO CNc1cc(N2CCC[C@@H]2CNC(C)=O)[nH+]cn1 ZINC000173423705 384680500 /nfs/dbraw/zinc/68/05/00/384680500.db2.gz KRLBQPLVXNSPKI-SNVBAGLBSA-N 1 2 249.318 0.623 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1C ZINC000124827579 384680751 /nfs/dbraw/zinc/68/07/51/384680751.db2.gz AAHCXFFOEURGJN-SNVBAGLBSA-N 1 2 223.276 0.856 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]nc1C ZINC000124827579 384680754 /nfs/dbraw/zinc/68/07/54/384680754.db2.gz AAHCXFFOEURGJN-SNVBAGLBSA-N 1 2 223.276 0.856 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1C ZINC000124827826 384680775 /nfs/dbraw/zinc/68/07/75/384680775.db2.gz AAHCXFFOEURGJN-JTQLQIEISA-N 1 2 223.276 0.856 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1C ZINC000124827826 384680782 /nfs/dbraw/zinc/68/07/82/384680782.db2.gz AAHCXFFOEURGJN-JTQLQIEISA-N 1 2 223.276 0.856 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000580114276 384684098 /nfs/dbraw/zinc/68/40/98/384684098.db2.gz PYPVVVRKEXSQAQ-LLVKDONJSA-N 1 2 249.314 0.953 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000580114276 384684105 /nfs/dbraw/zinc/68/41/05/384684105.db2.gz PYPVVVRKEXSQAQ-LLVKDONJSA-N 1 2 249.314 0.953 20 0 BCADLO CCOCC[N@H+](CC)CC(=O)OCC ZINC000049949569 384685793 /nfs/dbraw/zinc/68/57/93/384685793.db2.gz DUDFKAYOMQWZKN-UHFFFAOYSA-N 1 2 203.282 0.908 20 0 BCADLO CCOCC[N@@H+](CC)CC(=O)OCC ZINC000049949569 384685800 /nfs/dbraw/zinc/68/58/00/384685800.db2.gz DUDFKAYOMQWZKN-UHFFFAOYSA-N 1 2 203.282 0.908 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000185151574 384685823 /nfs/dbraw/zinc/68/58/23/384685823.db2.gz YFOANVDRUSBKNJ-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000185151574 384685831 /nfs/dbraw/zinc/68/58/31/384685831.db2.gz YFOANVDRUSBKNJ-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CSCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363942610 384693756 /nfs/dbraw/zinc/69/37/56/384693756.db2.gz VNWHCNYSBFCODR-JTQLQIEISA-N 1 2 244.360 0.283 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H]1CO ZINC000050114922 384694696 /nfs/dbraw/zinc/69/46/96/384694696.db2.gz JBTLJMPTPSUMSC-SNVBAGLBSA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CCC[C@@H]1CO ZINC000050114922 384694703 /nfs/dbraw/zinc/69/47/03/384694703.db2.gz JBTLJMPTPSUMSC-SNVBAGLBSA-N 1 2 239.323 0.430 20 0 BCADLO C[C@H]([C@H](C)NC(=O)N(C)C)[NH+]1CCOCC1 ZINC000104774468 384709672 /nfs/dbraw/zinc/70/96/72/384709672.db2.gz NAAGNGYJSRSNFW-VHSXEESVSA-N 1 2 229.324 0.367 20 0 BCADLO CCc1nnc(NC(=O)C[N@@H+](CC)C2CC2)[nH]1 ZINC000097233119 384713885 /nfs/dbraw/zinc/71/38/85/384713885.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CCc1nnc(NC(=O)C[N@H+](CC)C2CC2)[nH]1 ZINC000097233119 384713897 /nfs/dbraw/zinc/71/38/97/384713897.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CCc1n[nH]c(NC(=O)C[N@@H+](CC)C2CC2)n1 ZINC000097233119 384713903 /nfs/dbraw/zinc/71/39/03/384713903.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CCc1n[nH]c(NC(=O)C[N@H+](CC)C2CC2)n1 ZINC000097233119 384713910 /nfs/dbraw/zinc/71/39/10/384713910.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CCc1nc(NC(=O)C[N@@H+](CC)C2CC2)n[nH]1 ZINC000097233119 384713920 /nfs/dbraw/zinc/71/39/20/384713920.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CCc1nc(NC(=O)C[N@H+](CC)C2CC2)n[nH]1 ZINC000097233119 384713926 /nfs/dbraw/zinc/71/39/26/384713926.db2.gz BJHZYRCDDCXAOE-UHFFFAOYSA-N 1 2 237.307 0.790 20 0 BCADLO CC[N@H+](CC(=O)NC(N)=O)Cc1ccccn1 ZINC000125367954 384714707 /nfs/dbraw/zinc/71/47/07/384714707.db2.gz YFBKNPVWSOAHFK-UHFFFAOYSA-N 1 2 236.275 0.098 20 0 BCADLO CC[N@@H+](CC(=O)NC(N)=O)Cc1ccccn1 ZINC000125367954 384714720 /nfs/dbraw/zinc/71/47/20/384714720.db2.gz YFBKNPVWSOAHFK-UHFFFAOYSA-N 1 2 236.275 0.098 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(O)CCSC1 ZINC000408042640 384718734 /nfs/dbraw/zinc/71/87/34/384718734.db2.gz MBWOJZHQRCDNOO-SNVBAGLBSA-N 1 2 241.316 0.202 20 0 BCADLO COc1nnc(NCc2c[nH+]cn2C)s1 ZINC000279081197 384778327 /nfs/dbraw/zinc/77/83/27/384778327.db2.gz SPYQEBNNJQHNRP-UHFFFAOYSA-N 1 2 225.277 0.892 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000052584964 384735583 /nfs/dbraw/zinc/73/55/83/384735583.db2.gz PXXQFPRWHFSXHZ-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO C[C@@]1([NH2+]CCn2cccn2)CCOC1=O ZINC000289563313 384736455 /nfs/dbraw/zinc/73/64/55/384736455.db2.gz NWJRGCZZBMQHNL-SNVBAGLBSA-N 1 2 209.249 0.178 20 0 BCADLO COC[C@H]([NH2+]C1CCCC1)C(=O)OC ZINC000308587979 384825557 /nfs/dbraw/zinc/82/55/57/384825557.db2.gz NCOSNKGLWLKSGC-VIFPVBQESA-N 1 2 201.266 0.707 20 0 BCADLO COC[C@@H]([NH2+]C1CCCC1)C(=O)OC ZINC000308587978 384826127 /nfs/dbraw/zinc/82/61/27/384826127.db2.gz NCOSNKGLWLKSGC-SECBINFHSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)c2cncc(O)c2)CC1 ZINC000104417994 384826810 /nfs/dbraw/zinc/82/68/10/384826810.db2.gz WINGJDWZVAYWKS-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H](CC)C(N)=O ZINC000293326198 384831400 /nfs/dbraw/zinc/83/14/00/384831400.db2.gz GHBOKZTWWBPNNA-SNVBAGLBSA-N 1 2 225.292 0.933 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H](CC)C(N)=O ZINC000293326198 384831408 /nfs/dbraw/zinc/83/14/08/384831408.db2.gz GHBOKZTWWBPNNA-SNVBAGLBSA-N 1 2 225.292 0.933 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C1CC1 ZINC000042296083 384784087 /nfs/dbraw/zinc/78/40/87/384784087.db2.gz SALRVPPRVMPWOF-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C1CC1 ZINC000042296083 384784093 /nfs/dbraw/zinc/78/40/93/384784093.db2.gz SALRVPPRVMPWOF-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCOC1 ZINC000103956799 384790807 /nfs/dbraw/zinc/79/08/07/384790807.db2.gz ZXOGKZFKLZIMJT-QMMMGPOBSA-N 1 2 233.275 0.954 20 0 BCADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000306672260 384801377 /nfs/dbraw/zinc/80/13/77/384801377.db2.gz AFKQODRDUDJMFA-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1csnn1 ZINC000306672260 384801379 /nfs/dbraw/zinc/80/13/79/384801379.db2.gz AFKQODRDUDJMFA-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H](O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000648190774 384805108 /nfs/dbraw/zinc/80/51/08/384805108.db2.gz ZURQIMRJWXIFDE-JTQLQIEISA-N 1 2 234.299 0.499 20 0 BCADLO Nc1[nH+]cnc(NCCn2cncn2)c1Cl ZINC000277621702 384806017 /nfs/dbraw/zinc/80/60/17/384806017.db2.gz WNELTBGTQNAWKS-UHFFFAOYSA-N 1 2 239.670 0.416 20 0 BCADLO Nc1nc[nH+]c(NCCn2cncn2)c1Cl ZINC000277621702 384806026 /nfs/dbraw/zinc/80/60/26/384806026.db2.gz WNELTBGTQNAWKS-UHFFFAOYSA-N 1 2 239.670 0.416 20 0 BCADLO Cc1cnccc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000083873742 384807465 /nfs/dbraw/zinc/80/74/65/384807465.db2.gz HNLJFTJHFBPEOV-SNVBAGLBSA-N 1 2 221.260 0.317 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)nc1 ZINC000083872186 384808269 /nfs/dbraw/zinc/80/82/69/384808269.db2.gz HIIAYGGEALVPGX-SECBINFHSA-N 1 2 221.260 0.317 20 0 BCADLO CCOCCOCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236910503 384810164 /nfs/dbraw/zinc/81/01/64/384810164.db2.gz XCOOPCSNZDIJCY-UHFFFAOYSA-N 1 2 239.275 0.655 20 0 BCADLO CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CCNC1=O ZINC000536497376 384875960 /nfs/dbraw/zinc/87/59/60/384875960.db2.gz OUEDYEJUDWZCOR-SNVBAGLBSA-N 1 2 230.271 0.888 20 0 BCADLO CN(c1[nH]c2ccccc2[nH+]1)[C@H]1CCNC1=O ZINC000536497361 384876231 /nfs/dbraw/zinc/87/62/31/384876231.db2.gz OUEDYEJUDWZCOR-JTQLQIEISA-N 1 2 230.271 0.888 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nc(C2CC2)no1)C(N)=O ZINC000177132509 384880877 /nfs/dbraw/zinc/88/08/77/384880877.db2.gz IARVJYPBSRICNE-LLVKDONJSA-N 1 2 238.291 0.691 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000336259817 384884089 /nfs/dbraw/zinc/88/40/89/384884089.db2.gz VHKAGBAUKXIHGW-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000336259817 384884098 /nfs/dbraw/zinc/88/40/98/384884098.db2.gz VHKAGBAUKXIHGW-VIFPVBQESA-N 1 2 232.349 0.505 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCNC(=O)[C@@H]1C ZINC000104693538 384838823 /nfs/dbraw/zinc/83/88/23/384838823.db2.gz CRKMNTAYJBALSR-JTQLQIEISA-N 1 2 236.319 0.784 20 0 BCADLO Cc1noc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000087781318 384847243 /nfs/dbraw/zinc/84/72/43/384847243.db2.gz FYYAJZIKKYAXNR-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO CN(C)c1nccc(C[NH2+]Cc2ccon2)n1 ZINC000634974877 384857485 /nfs/dbraw/zinc/85/74/85/384857485.db2.gz MLHGEIHIKYSBRS-UHFFFAOYSA-N 1 2 233.275 0.820 20 0 BCADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000112554473 384860658 /nfs/dbraw/zinc/86/06/58/384860658.db2.gz OFZYUBZPFHFMKG-LURJTMIESA-N 1 2 206.249 0.640 20 0 BCADLO C[N@H+](CCOCCO)Cc1nccs1 ZINC000175066657 384862339 /nfs/dbraw/zinc/86/23/39/384862339.db2.gz AQWTVGGPKWQXMU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO C[N@@H+](CCOCCO)Cc1nccs1 ZINC000175066657 384862347 /nfs/dbraw/zinc/86/23/47/384862347.db2.gz AQWTVGGPKWQXMU-UHFFFAOYSA-N 1 2 216.306 0.584 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@](C)(O)C1 ZINC000175061761 384863639 /nfs/dbraw/zinc/86/36/39/384863639.db2.gz RBFHWAPCDHIHQE-NSHDSACASA-N 1 2 233.275 0.324 20 0 BCADLO Cc1occc1C[N@H+](C)CC(=O)NC(N)=O ZINC000055052595 384865585 /nfs/dbraw/zinc/86/55/85/384865585.db2.gz UKFFXGPUMSRJIC-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO Cc1occc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000055052595 384865594 /nfs/dbraw/zinc/86/55/94/384865594.db2.gz UKFFXGPUMSRJIC-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO C[C@@H](O)CC[N@H+](C)CC(=O)c1cccn1C ZINC000128549802 384952983 /nfs/dbraw/zinc/95/29/83/384952983.db2.gz BKGOSUYMEDYIHH-SNVBAGLBSA-N 1 2 224.304 0.911 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)CC(=O)c1cccn1C ZINC000128549802 384952986 /nfs/dbraw/zinc/95/29/86/384952986.db2.gz BKGOSUYMEDYIHH-SNVBAGLBSA-N 1 2 224.304 0.911 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000105934745 384892429 /nfs/dbraw/zinc/89/24/29/384892429.db2.gz UWECGXXVKZJXIS-CBAPKCEASA-N 1 2 238.291 0.052 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000360185332 384902474 /nfs/dbraw/zinc/90/24/74/384902474.db2.gz YFVAFQWHIDLFBZ-IUCAKERBSA-N 1 2 225.292 0.945 20 0 BCADLO Cn1cnnc1C[N@H+](C)C1(CO)CCC1 ZINC000518287260 384904480 /nfs/dbraw/zinc/90/44/80/384904480.db2.gz BBNZJMRHUGIGJZ-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C1(CO)CCC1 ZINC000518287260 384904486 /nfs/dbraw/zinc/90/44/86/384904486.db2.gz BBNZJMRHUGIGJZ-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H]1CCN(C)C1=O)CC2 ZINC000374701996 384925716 /nfs/dbraw/zinc/92/57/16/384925716.db2.gz QPJWRQTYJPICOB-SNVBAGLBSA-N 1 2 234.303 0.238 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367620041 384934027 /nfs/dbraw/zinc/93/40/27/384934027.db2.gz PXJUQJYSIDBBBX-JTQLQIEISA-N 1 2 236.319 0.855 20 0 BCADLO COc1cc[nH+]c(CN(C)CC(=O)NC2CC2)c1 ZINC000106933463 384944502 /nfs/dbraw/zinc/94/45/02/384944502.db2.gz VJMRSMLWPIENQY-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC[C@@H](C)O)n1C ZINC000128441661 384947988 /nfs/dbraw/zinc/94/79/88/384947988.db2.gz SHZFTKVCVCWLRN-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@H+](C)CC[C@@H](C)O)n1C ZINC000128441661 384947998 /nfs/dbraw/zinc/94/79/98/384947998.db2.gz SHZFTKVCVCWLRN-MRVPVSSYSA-N 1 2 212.297 0.326 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CO ZINC000156798405 384964848 /nfs/dbraw/zinc/96/48/48/384964848.db2.gz HFJXXXRAFBRUCR-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1CO ZINC000156798405 384964856 /nfs/dbraw/zinc/96/48/56/384964856.db2.gz HFJXXXRAFBRUCR-NSHDSACASA-N 1 2 238.335 0.953 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccns1 ZINC000404331333 384971006 /nfs/dbraw/zinc/97/10/06/384971006.db2.gz BNZPOLXAXFNYFQ-QMMMGPOBSA-N 1 2 213.306 0.839 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccns1 ZINC000404331333 384971012 /nfs/dbraw/zinc/97/10/12/384971012.db2.gz BNZPOLXAXFNYFQ-QMMMGPOBSA-N 1 2 213.306 0.839 20 0 BCADLO CCOCCNC(=O)C[N@H+](C)Cc1ccco1 ZINC000175914103 384982396 /nfs/dbraw/zinc/98/23/96/384982396.db2.gz ICWBZIKTBPFOKE-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO CCOCCNC(=O)C[N@@H+](C)Cc1ccco1 ZINC000175914103 384982402 /nfs/dbraw/zinc/98/24/02/384982402.db2.gz ICWBZIKTBPFOKE-UHFFFAOYSA-N 1 2 240.303 0.864 20 0 BCADLO Cc1nc(NC[C@H]2CCCS2(=O)=O)cc[nH+]1 ZINC000087972031 384985713 /nfs/dbraw/zinc/98/57/13/384985713.db2.gz VTTGXXQLFKSRFH-SECBINFHSA-N 1 2 241.316 0.774 20 0 BCADLO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000647618022 384986524 /nfs/dbraw/zinc/98/65/24/384986524.db2.gz DPHWGDSKSYBHDS-LLVKDONJSA-N 1 2 239.275 0.105 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000245458269 384998135 /nfs/dbraw/zinc/99/81/35/384998135.db2.gz CRIOAQJWGDKENU-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000245458269 384998146 /nfs/dbraw/zinc/99/81/46/384998146.db2.gz CRIOAQJWGDKENU-YUMQZZPRSA-N 1 2 229.280 0.590 20 0 BCADLO C[C@@](O)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000557529174 385008086 /nfs/dbraw/zinc/00/80/86/385008086.db2.gz GVNPZFNYBXJPND-LBPRGKRZSA-N 1 2 235.287 0.427 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000226402391 385012640 /nfs/dbraw/zinc/01/26/40/385012640.db2.gz NMVHNYRBZNYCNS-RKDXNWHRSA-N 1 2 239.323 0.503 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000130149236 385023407 /nfs/dbraw/zinc/02/34/07/385023407.db2.gz INFWNXJSYHMBNY-GLEZIHRCSA-N 1 2 229.349 0.965 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000331957430 384964511 /nfs/dbraw/zinc/96/45/11/384964511.db2.gz JYEHAGRJFJKWSB-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000331957430 384964518 /nfs/dbraw/zinc/96/45/18/384964518.db2.gz JYEHAGRJFJKWSB-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](CCO)CC(F)F ZINC000300907047 385048343 /nfs/dbraw/zinc/04/83/43/385048343.db2.gz RCWLKDVIUXKPRG-QMMMGPOBSA-N 1 2 211.252 0.563 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](CCO)CC(F)F ZINC000300907047 385048348 /nfs/dbraw/zinc/04/83/48/385048348.db2.gz RCWLKDVIUXKPRG-QMMMGPOBSA-N 1 2 211.252 0.563 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cc(C)ncn1 ZINC000644658792 385068537 /nfs/dbraw/zinc/06/85/37/385068537.db2.gz UUSYQAOEPQYCDD-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)ncn1 ZINC000644658792 385068540 /nfs/dbraw/zinc/06/85/40/385068540.db2.gz UUSYQAOEPQYCDD-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO COC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339730922 385026006 /nfs/dbraw/zinc/02/60/06/385026006.db2.gz VEKLRMJLCLIGSJ-NSHDSACASA-N 1 2 229.320 0.936 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2COC[C@@H]2C1 ZINC000367418506 385028426 /nfs/dbraw/zinc/02/84/26/385028426.db2.gz KYCXZWCDXJBNFG-DTORHVGOSA-N 1 2 245.286 0.446 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)nc1 ZINC000156947501 385030184 /nfs/dbraw/zinc/03/01/84/385030184.db2.gz ZFSGBCBAECONCR-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)nc1 ZINC000156947501 385030189 /nfs/dbraw/zinc/03/01/89/385030189.db2.gz ZFSGBCBAECONCR-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245627799 385037171 /nfs/dbraw/zinc/03/71/71/385037171.db2.gz SBCNRBJGOOKHHY-AAEUAGOBSA-N 1 2 248.326 0.804 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245627799 385037176 /nfs/dbraw/zinc/03/71/76/385037176.db2.gz SBCNRBJGOOKHHY-AAEUAGOBSA-N 1 2 248.326 0.804 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245627805 385038007 /nfs/dbraw/zinc/03/80/07/385038007.db2.gz SBCNRBJGOOKHHY-YPMHNXCESA-N 1 2 248.326 0.804 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245627805 385038017 /nfs/dbraw/zinc/03/80/17/385038017.db2.gz SBCNRBJGOOKHHY-YPMHNXCESA-N 1 2 248.326 0.804 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000312988254 385043877 /nfs/dbraw/zinc/04/38/77/385043877.db2.gz BOPCOOQAVSSWDF-HTQZYQBOSA-N 1 2 201.266 0.563 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N(C)C ZINC000336336304 385120076 /nfs/dbraw/zinc/12/00/76/385120076.db2.gz ROYROPURFHPISS-MNOVXSKESA-N 1 2 241.335 0.463 20 0 BCADLO Cc1ccc(NC(=O)NC(CO)CO)c(C)[nH+]1 ZINC000176716105 385141906 /nfs/dbraw/zinc/14/19/06/385141906.db2.gz ZVXLLSXFRCVIJD-UHFFFAOYSA-N 1 2 239.275 0.173 20 0 BCADLO Cn1ncnc1C[N@H+](CCO)Cc1ccccc1 ZINC000088582927 385132819 /nfs/dbraw/zinc/13/28/19/385132819.db2.gz XNHHRWVYXYFDAO-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO Cn1ncnc1C[N@@H+](CCO)Cc1ccccc1 ZINC000088582927 385132823 /nfs/dbraw/zinc/13/28/23/385132823.db2.gz XNHHRWVYXYFDAO-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@H](O)C1 ZINC000061709157 385134734 /nfs/dbraw/zinc/13/47/34/385134734.db2.gz WSUOKEUBBGSDLL-QMMMGPOBSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1CC[C@H](O)C1 ZINC000061709157 385134739 /nfs/dbraw/zinc/13/47/39/385134739.db2.gz WSUOKEUBBGSDLL-QMMMGPOBSA-N 1 2 225.244 0.633 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CC[C@H]1CCCCO1 ZINC000408046819 385138406 /nfs/dbraw/zinc/13/84/06/385138406.db2.gz YGMDHSMIMAGZAR-MXWKQRLJSA-N 1 2 244.310 0.843 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CC[C@H]1CCCCO1 ZINC000408046819 385138416 /nfs/dbraw/zinc/13/84/16/385138416.db2.gz YGMDHSMIMAGZAR-MXWKQRLJSA-N 1 2 244.310 0.843 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000151084096 385085767 /nfs/dbraw/zinc/08/57/67/385085767.db2.gz NRMZLFAZQMWOSE-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000151084096 385085771 /nfs/dbraw/zinc/08/57/71/385085771.db2.gz NRMZLFAZQMWOSE-NSHDSACASA-N 1 2 219.288 0.792 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000644671749 385086950 /nfs/dbraw/zinc/08/69/50/385086950.db2.gz QXZXRKORTNUFKS-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000644671749 385086953 /nfs/dbraw/zinc/08/69/53/385086953.db2.gz QXZXRKORTNUFKS-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO O=C(C[N@@H+]1CCC(F)(F)[C@H](CO)C1)NC1CC1 ZINC000332122196 385100750 /nfs/dbraw/zinc/10/07/50/385100750.db2.gz HVHUKMAPXVGLLZ-QMMMGPOBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C(C[N@H+]1CCC(F)(F)[C@H](CO)C1)NC1CC1 ZINC000332122196 385100756 /nfs/dbraw/zinc/10/07/56/385100756.db2.gz HVHUKMAPXVGLLZ-QMMMGPOBSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCCC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000334154827 385105949 /nfs/dbraw/zinc/10/59/49/385105949.db2.gz SQEWZQMIAZEHDQ-VIFPVBQESA-N 1 2 247.289 0.148 20 0 BCADLO Cc1nc(N2C[C@@H](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000308790180 385107861 /nfs/dbraw/zinc/10/78/61/385107861.db2.gz CPXWMXGOGORMMC-BQBZGAKWSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000308790180 385107868 /nfs/dbraw/zinc/10/78/68/385107868.db2.gz CPXWMXGOGORMMC-BQBZGAKWSA-N 1 2 207.281 0.997 20 0 BCADLO C[C@H]1COCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559829324 385187758 /nfs/dbraw/zinc/18/77/58/385187758.db2.gz DTVPIEJOCMZVQM-JQWIXIFHSA-N 1 2 249.314 0.939 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)c1ccccc1 ZINC000177141891 385188927 /nfs/dbraw/zinc/18/89/27/385188927.db2.gz CZYHFKULHLKKLU-NSHDSACASA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)c1ccccc1 ZINC000177141891 385188929 /nfs/dbraw/zinc/18/89/29/385188929.db2.gz CZYHFKULHLKKLU-NSHDSACASA-N 1 2 232.287 0.970 20 0 BCADLO CN(C)C(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000157333761 385146825 /nfs/dbraw/zinc/14/68/25/385146825.db2.gz BRCKMNIFRVSENB-UHFFFAOYSA-N 1 2 237.303 0.975 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000189381330 385149939 /nfs/dbraw/zinc/14/99/39/385149939.db2.gz QUXYUNVSGAIJIE-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000189381309 385152077 /nfs/dbraw/zinc/15/20/77/385152077.db2.gz QUXYUNVSGAIJIE-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO Cc1ccc(NC(=O)N2CCNC(=O)C2)c(C)[nH+]1 ZINC000152156456 385157023 /nfs/dbraw/zinc/15/70/23/385157023.db2.gz RVSIKZFBGXCETF-UHFFFAOYSA-N 1 2 248.286 0.662 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+](C)C2CC2)n1 ZINC000177004913 385167785 /nfs/dbraw/zinc/16/77/85/385167785.db2.gz MBXVHCGIOJJQEL-UHFFFAOYSA-N 1 2 222.296 0.114 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+](C)C2CC2)n1 ZINC000177004913 385167791 /nfs/dbraw/zinc/16/77/91/385167791.db2.gz MBXVHCGIOJJQEL-UHFFFAOYSA-N 1 2 222.296 0.114 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1(CF)CCC1 ZINC000516652942 385201252 /nfs/dbraw/zinc/20/12/52/385201252.db2.gz PMIXBPQTPHGSFR-UHFFFAOYSA-N 1 2 225.267 0.971 20 0 BCADLO Cc1nc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)nn1C ZINC000557828132 385180776 /nfs/dbraw/zinc/18/07/76/385180776.db2.gz QMFNVHZJVFIPPE-UHFFFAOYSA-N 1 2 248.290 0.763 20 0 BCADLO Cc1nc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)nn1C ZINC000557828132 385180781 /nfs/dbraw/zinc/18/07/81/385180781.db2.gz QMFNVHZJVFIPPE-UHFFFAOYSA-N 1 2 248.290 0.763 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190031944 385206503 /nfs/dbraw/zinc/20/65/03/385206503.db2.gz DPDDEHJLMTXQQP-GFCCVEGCSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190031944 385206507 /nfs/dbraw/zinc/20/65/07/385206507.db2.gz DPDDEHJLMTXQQP-GFCCVEGCSA-N 1 2 235.287 1.000 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]2CCO)no1 ZINC000308854654 385215493 /nfs/dbraw/zinc/21/54/93/385215493.db2.gz IDDSRTRMLUDAKI-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]2CCO)no1 ZINC000308854654 385215495 /nfs/dbraw/zinc/21/54/95/385215495.db2.gz IDDSRTRMLUDAKI-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1nc(C)no1 ZINC000647068924 385216008 /nfs/dbraw/zinc/21/60/08/385216008.db2.gz RFTQCHRMRJBNNS-UHFFFAOYSA-N 1 2 248.242 0.712 20 0 BCADLO CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000407974524 385256343 /nfs/dbraw/zinc/25/63/43/385256343.db2.gz FFNAMGUOQGSTBD-JTQLQIEISA-N 1 2 227.308 0.169 20 0 BCADLO CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000407974524 385256351 /nfs/dbraw/zinc/25/63/51/385256351.db2.gz FFNAMGUOQGSTBD-JTQLQIEISA-N 1 2 227.308 0.169 20 0 BCADLO Cc1nc(N[C@H](C)[C@@H](C)CO)nc(N)[nH+]1 ZINC000308859095 385221702 /nfs/dbraw/zinc/22/17/02/385221702.db2.gz JHFVJJGUUOHKRU-NTSWFWBYSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@@H](C)CO)[nH+]1 ZINC000308859095 385221707 /nfs/dbraw/zinc/22/17/07/385221707.db2.gz JHFVJJGUUOHKRU-NTSWFWBYSA-N 1 2 211.269 0.191 20 0 BCADLO CCS(=O)(=O)CCN(C)c1cc[nH+]c(C)n1 ZINC000130151331 385221806 /nfs/dbraw/zinc/22/18/06/385221806.db2.gz MRKHAFKVYIZNJR-UHFFFAOYSA-N 1 2 243.332 0.656 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647076522 385234877 /nfs/dbraw/zinc/23/48/77/385234877.db2.gz ZLEKFPCUTXGMPC-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000157632715 385237444 /nfs/dbraw/zinc/23/74/44/385237444.db2.gz TURGFTQCWXCEQF-SECBINFHSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000157632715 385237452 /nfs/dbraw/zinc/23/74/52/385237452.db2.gz TURGFTQCWXCEQF-SECBINFHSA-N 1 2 224.308 0.714 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000110663626 385257529 /nfs/dbraw/zinc/25/75/29/385257529.db2.gz DPQLPAFQGPTHGF-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000110663626 385257535 /nfs/dbraw/zinc/25/75/35/385257535.db2.gz DPQLPAFQGPTHGF-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2noc(C)n2)C1 ZINC000177460100 385243997 /nfs/dbraw/zinc/24/39/97/385243997.db2.gz UMWUZFZPYHLMET-NSHDSACASA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000177460100 385244005 /nfs/dbraw/zinc/24/40/05/385244005.db2.gz UMWUZFZPYHLMET-NSHDSACASA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCn1cccn1 ZINC000108856454 385243914 /nfs/dbraw/zinc/24/39/14/385243914.db2.gz JTCMPJFYEBFUTF-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO O=C1CCN(c2cc[nH+]c(C3CC3)n2)CCN1 ZINC000110535400 385246669 /nfs/dbraw/zinc/24/66/69/385246669.db2.gz FXBCQCAXMILXLV-UHFFFAOYSA-N 1 2 232.287 0.680 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)no1 ZINC000331465380 385248890 /nfs/dbraw/zinc/24/88/90/385248890.db2.gz JVFRNBUETINYHE-HBNTYKKESA-N 1 2 237.303 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)no1 ZINC000331465380 385248896 /nfs/dbraw/zinc/24/88/96/385248896.db2.gz JVFRNBUETINYHE-HBNTYKKESA-N 1 2 237.303 0.971 20 0 BCADLO CO[C@@H](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290658587 385253213 /nfs/dbraw/zinc/25/32/13/385253213.db2.gz HBWHYRPWIAACGQ-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO Cc1nc(C[NH2+][C@@H](CO)C(C)(C)C)no1 ZINC000330363538 385255563 /nfs/dbraw/zinc/25/55/63/385255563.db2.gz JDQPFHFFMOKUGD-QMMMGPOBSA-N 1 2 213.281 0.875 20 0 BCADLO COC(=O)[C@]1(C)CCCN1Cc1c[nH+]c[nH]1 ZINC000189994139 385203005 /nfs/dbraw/zinc/20/30/05/385203005.db2.gz MIMGNEAFVZRSQT-NSHDSACASA-N 1 2 223.276 0.937 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1[nH]cc[nH+]1 ZINC000131155326 385313053 /nfs/dbraw/zinc/31/30/53/385313053.db2.gz QNMBQSIUWBMUIW-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)OC ZINC000308960717 385313535 /nfs/dbraw/zinc/31/35/35/385313535.db2.gz RXMMSKMLNLTPSD-BBBLOLIVSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H](O)CC)C(=O)OC ZINC000308967315 385319206 /nfs/dbraw/zinc/31/92/06/385319206.db2.gz WSJQNXHQUCJWBV-KXUCPTDWSA-N 1 2 217.309 0.935 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000157967554 385319386 /nfs/dbraw/zinc/31/93/86/385319386.db2.gz PXDOMNLCMDRVTL-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000157967554 385319390 /nfs/dbraw/zinc/31/93/90/385319390.db2.gz PXDOMNLCMDRVTL-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000191751933 385320881 /nfs/dbraw/zinc/32/08/81/385320881.db2.gz SJMUNFAENNNBCR-UWVGGRQHSA-N 1 2 240.307 0.606 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC000130577401 385263139 /nfs/dbraw/zinc/26/31/39/385263139.db2.gz IIBPJYKFWGGPDD-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000130622075 385266493 /nfs/dbraw/zinc/26/64/93/385266493.db2.gz OAJDHWXLXHSIMD-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000130622075 385266499 /nfs/dbraw/zinc/26/64/99/385266499.db2.gz OAJDHWXLXHSIMD-UHFFFAOYSA-N 1 2 219.288 0.792 20 0 BCADLO CCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000308903154 385275381 /nfs/dbraw/zinc/27/53/81/385275381.db2.gz CMSWVGWOXIHYPX-ZETCQYMHSA-N 1 2 206.236 0.900 20 0 BCADLO COC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000130700860 385279641 /nfs/dbraw/zinc/27/96/41/385279641.db2.gz YXLUGCUPRFYVHG-LBPRGKRZSA-N 1 2 235.283 0.751 20 0 BCADLO COC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000130700860 385279646 /nfs/dbraw/zinc/27/96/46/385279646.db2.gz YXLUGCUPRFYVHG-LBPRGKRZSA-N 1 2 235.283 0.751 20 0 BCADLO Cc1nc(N[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000308914797 385282084 /nfs/dbraw/zinc/28/20/84/385282084.db2.gz XSXZQOCGVYYLEY-SSDOTTSWSA-N 1 2 209.253 0.353 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCCOC2)[nH+]1 ZINC000308914797 385282090 /nfs/dbraw/zinc/28/20/90/385282090.db2.gz XSXZQOCGVYYLEY-SSDOTTSWSA-N 1 2 209.253 0.353 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191103052 385284165 /nfs/dbraw/zinc/28/41/65/385284165.db2.gz YMAUQQKHCJKEIY-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191103052 385284169 /nfs/dbraw/zinc/28/41/69/385284169.db2.gz YMAUQQKHCJKEIY-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2CO)[nH]1 ZINC000157852883 385293334 /nfs/dbraw/zinc/29/33/34/385293334.db2.gz ZQQJDRYXSJXRLP-MRVPVSSYSA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]2CO)[nH]1 ZINC000157852883 385293339 /nfs/dbraw/zinc/29/33/39/385293339.db2.gz ZQQJDRYXSJXRLP-MRVPVSSYSA-N 1 2 210.281 0.324 20 0 BCADLO COC[C@](C)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000308929956 385294927 /nfs/dbraw/zinc/29/49/27/385294927.db2.gz JGDFGTDHKDFSQY-SCZZXKLOSA-N 1 2 221.272 0.902 20 0 BCADLO COC[C@@](C)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000308929955 385295084 /nfs/dbraw/zinc/29/50/84/385295084.db2.gz JGDFGTDHKDFSQY-PSASIEDQSA-N 1 2 221.272 0.902 20 0 BCADLO COC(=O)C1([NH2+]CC[C@H](C)O)CCCC1 ZINC000308943531 385299547 /nfs/dbraw/zinc/29/95/47/385299547.db2.gz MYHGQWNYBGWFGP-VIFPVBQESA-N 1 2 215.293 0.833 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408457272 385347339 /nfs/dbraw/zinc/34/73/39/385347339.db2.gz OEXNCEVZXVNKNL-IUCAKERBSA-N 1 2 241.291 0.990 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408457272 385347342 /nfs/dbraw/zinc/34/73/42/385347342.db2.gz OEXNCEVZXVNKNL-IUCAKERBSA-N 1 2 241.291 0.990 20 0 BCADLO Cc1nc(N[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000323409893 385356162 /nfs/dbraw/zinc/35/61/62/385356162.db2.gz MDVGKBIDCXFQGX-RNFRBKRXSA-N 1 2 209.253 0.088 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000323409893 385356169 /nfs/dbraw/zinc/35/61/69/385356169.db2.gz MDVGKBIDCXFQGX-RNFRBKRXSA-N 1 2 209.253 0.088 20 0 BCADLO CO[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178350224 385359378 /nfs/dbraw/zinc/35/93/78/385359378.db2.gz MXOVUXJHVFCFGG-SECBINFHSA-N 1 2 233.271 0.985 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000168856736 385390128 /nfs/dbraw/zinc/39/01/28/385390128.db2.gz YBXQVIRSQFLQEU-UHFFFAOYSA-N 1 2 222.288 0.912 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000168856736 385390133 /nfs/dbraw/zinc/39/01/33/385390133.db2.gz YBXQVIRSQFLQEU-UHFFFAOYSA-N 1 2 222.288 0.912 20 0 BCADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCNC2=O)s1 ZINC000179069587 385367407 /nfs/dbraw/zinc/36/74/07/385367407.db2.gz CTEPJYJCHSPOEB-JGVFFNPUSA-N 1 2 225.317 0.991 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)O ZINC000192694280 385367454 /nfs/dbraw/zinc/36/74/54/385367454.db2.gz PHQHAFRAYPAJLM-GXFFZTMASA-N 1 2 249.310 0.967 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@H](C)O ZINC000192694280 385367458 /nfs/dbraw/zinc/36/74/58/385367458.db2.gz PHQHAFRAYPAJLM-GXFFZTMASA-N 1 2 249.310 0.967 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309038963 385375581 /nfs/dbraw/zinc/37/55/81/385375581.db2.gz JZIMVJSLISLXKF-MRVPVSSYSA-N 1 2 211.265 0.804 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1c1cc(CO)cc[nH+]1 ZINC000168571324 385376228 /nfs/dbraw/zinc/37/62/28/385376228.db2.gz LWAYAKHOMVLXAG-GXSJLCMTSA-N 1 2 238.287 0.160 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCOC1 ZINC000155161690 385378407 /nfs/dbraw/zinc/37/84/07/385378407.db2.gz MQQNRVMWBYDKBR-NSHDSACASA-N 1 2 237.303 0.768 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1cccnc1 ZINC000154413757 385325896 /nfs/dbraw/zinc/32/58/96/385325896.db2.gz VPACHDCSPAURQJ-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccnc1 ZINC000154413757 385325899 /nfs/dbraw/zinc/32/58/99/385325899.db2.gz VPACHDCSPAURQJ-UHFFFAOYSA-N 1 2 242.344 0.948 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1csnn1 ZINC000120622073 385392963 /nfs/dbraw/zinc/39/29/63/385392963.db2.gz IAAHVDLYJGZSFC-SSDOTTSWSA-N 1 2 229.305 0.779 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1csnn1 ZINC000120622073 385392965 /nfs/dbraw/zinc/39/29/65/385392965.db2.gz IAAHVDLYJGZSFC-SSDOTTSWSA-N 1 2 229.305 0.779 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000309069672 385394136 /nfs/dbraw/zinc/39/41/36/385394136.db2.gz AXYWESODKJHYFB-LDYMZIIASA-N 1 2 215.293 0.953 20 0 BCADLO Cc1cn[nH]c1CNC[C@H]1CCC[N@H+]1C ZINC000289768884 385395340 /nfs/dbraw/zinc/39/53/40/385395340.db2.gz GIGLQTUKRDQAKK-SNVBAGLBSA-N 1 2 208.309 0.902 20 0 BCADLO Cc1cn[nH]c1CNC[C@H]1CCC[N@@H+]1C ZINC000289768884 385395342 /nfs/dbraw/zinc/39/53/42/385395342.db2.gz GIGLQTUKRDQAKK-SNVBAGLBSA-N 1 2 208.309 0.902 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309059341 385395442 /nfs/dbraw/zinc/39/54/42/385395442.db2.gz NYYZYNIHFGQQQS-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309059341 385395447 /nfs/dbraw/zinc/39/54/47/385395447.db2.gz NYYZYNIHFGQQQS-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO COCC[C@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000309059279 385396118 /nfs/dbraw/zinc/39/61/18/385396118.db2.gz VSAVOQKHJZHOAU-DTWKUNHWSA-N 1 2 219.281 0.189 20 0 BCADLO Cc1n[nH]c(C)c1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408012746 385399010 /nfs/dbraw/zinc/39/90/10/385399010.db2.gz DOVWUUBSRWGOAC-SECBINFHSA-N 1 2 238.291 0.296 20 0 BCADLO Cc1n[nH]c(C)c1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408012746 385399015 /nfs/dbraw/zinc/39/90/15/385399015.db2.gz DOVWUUBSRWGOAC-SECBINFHSA-N 1 2 238.291 0.296 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)o1 ZINC000178614257 385399686 /nfs/dbraw/zinc/39/96/86/385399686.db2.gz WJHIMQQTVXDANC-LLVKDONJSA-N 1 2 249.314 0.318 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364386875 385401389 /nfs/dbraw/zinc/40/13/89/385401389.db2.gz FRIYGRPWPLRZFF-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](CO)C1 ZINC000492810568 385439289 /nfs/dbraw/zinc/43/92/89/385439289.db2.gz IGHMZQJIBPUETN-UMBAGQNISA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)N1CCC1 ZINC000336088357 385440221 /nfs/dbraw/zinc/44/02/21/385440221.db2.gz LZHQAAOTOCYCTR-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)N1CCC1 ZINC000336088357 385440222 /nfs/dbraw/zinc/44/02/22/385440222.db2.gz LZHQAAOTOCYCTR-LLVKDONJSA-N 1 2 224.304 0.330 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000194951262 385453094 /nfs/dbraw/zinc/45/30/94/385453094.db2.gz YRWNGBBRKYWXMN-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000194951262 385453096 /nfs/dbraw/zinc/45/30/96/385453096.db2.gz YRWNGBBRKYWXMN-PWSUYJOCSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H](O)C[C@H]1COCCN1Cc1[nH+]ccn1C ZINC000157123643 385487979 /nfs/dbraw/zinc/48/79/79/385487979.db2.gz UXJQDDMQQFUASN-MNOVXSKESA-N 1 2 239.319 0.392 20 0 BCADLO COC(=O)[C@]1([NH2+]CCC(C)(C)O)CCOC1 ZINC000336769467 385468342 /nfs/dbraw/zinc/46/83/42/385468342.db2.gz SBXGZIAQUDXGQH-NSHDSACASA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179535592 385471228 /nfs/dbraw/zinc/47/12/28/385471228.db2.gz XLDFMGJJOMMWAH-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000179535592 385471231 /nfs/dbraw/zinc/47/12/31/385471231.db2.gz XLDFMGJJOMMWAH-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO C[NH+](C)CC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000171392007 385480940 /nfs/dbraw/zinc/48/09/40/385480940.db2.gz BRZZAZMCALBSLI-UHFFFAOYSA-N 1 2 246.274 0.367 20 0 BCADLO CC[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000309213633 385483516 /nfs/dbraw/zinc/48/35/16/385483516.db2.gz TYCBRHVDQJGLJS-SECBINFHSA-N 1 2 215.293 0.833 20 0 BCADLO COC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000309196080 385461384 /nfs/dbraw/zinc/46/13/84/385461384.db2.gz QNQQWOLENVSWAW-GHMZBOCLSA-N 1 2 213.277 0.707 20 0 BCADLO c1nc(CNCC[N@@H+]2CCCOCC2)cs1 ZINC000289433700 385492506 /nfs/dbraw/zinc/49/25/06/385492506.db2.gz LDGIQTVZNAIEQY-UHFFFAOYSA-N 1 2 241.360 0.955 20 0 BCADLO c1nc(CNCC[N@H+]2CCCOCC2)cs1 ZINC000289433700 385492511 /nfs/dbraw/zinc/49/25/11/385492511.db2.gz LDGIQTVZNAIEQY-UHFFFAOYSA-N 1 2 241.360 0.955 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000179852112 385494599 /nfs/dbraw/zinc/49/45/99/385494599.db2.gz ATAQHJNNJICEOM-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000179852112 385494603 /nfs/dbraw/zinc/49/46/03/385494603.db2.gz ATAQHJNNJICEOM-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO O=S1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000111222605 385496957 /nfs/dbraw/zinc/49/69/57/385496957.db2.gz PIIUPYQGBOMCBN-JTQLQIEISA-N 1 2 217.334 0.620 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000179887294 385497382 /nfs/dbraw/zinc/49/73/82/385497382.db2.gz ZPZHWFWAGAZQKG-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)OC ZINC000171632462 385502252 /nfs/dbraw/zinc/50/22/52/385502252.db2.gz ANJFAFFQVMTMPZ-BDAKNGLRSA-N 1 2 238.291 0.134 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000644125845 385503318 /nfs/dbraw/zinc/50/33/18/385503318.db2.gz NRYUGXMGHZODJK-ONGXEEELSA-N 1 2 237.303 0.331 20 0 BCADLO C[C@]1(O)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000157492362 385505353 /nfs/dbraw/zinc/50/53/53/385505353.db2.gz NVAXEVXVLFOUBT-LBPRGKRZSA-N 1 2 222.288 0.925 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)CCS1 ZINC000171685832 385507575 /nfs/dbraw/zinc/50/75/75/385507575.db2.gz FXRZPUYWZPTOHV-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CCS1 ZINC000171685832 385507578 /nfs/dbraw/zinc/50/75/78/385507578.db2.gz FXRZPUYWZPTOHV-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO c1cn(-c2cc(N3CCO[C@H]4C[C@H]43)ncn2)c[nH+]1 ZINC000644136261 385514085 /nfs/dbraw/zinc/51/40/85/385514085.db2.gz SNPNUVJJNAKQNU-ZJUUUORDSA-N 1 2 243.270 0.640 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C(=O)OC)C2)[nH]1 ZINC000157682739 385515571 /nfs/dbraw/zinc/51/55/71/385515571.db2.gz OKAYPUGREKJPES-QMMMGPOBSA-N 1 2 238.291 0.362 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C(=O)OC)C2)[nH]1 ZINC000157682739 385515579 /nfs/dbraw/zinc/51/55/79/385515579.db2.gz OKAYPUGREKJPES-QMMMGPOBSA-N 1 2 238.291 0.362 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1CCn1cncn1 ZINC000408063170 385515962 /nfs/dbraw/zinc/51/59/62/385515962.db2.gz PWGAHBRUAGMFDA-MRXNPFEDSA-N 1 2 242.348 0.121 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1CCn1cncn1 ZINC000408063170 385515965 /nfs/dbraw/zinc/51/59/65/385515965.db2.gz PWGAHBRUAGMFDA-MRXNPFEDSA-N 1 2 242.348 0.121 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1CO ZINC000364955082 385546635 /nfs/dbraw/zinc/54/66/35/385546635.db2.gz PQUMUCZCUDILPQ-MNOVXSKESA-N 1 2 249.314 0.429 20 0 BCADLO COC(=O)[C@](C)([NH2+]CC[C@@H](C)O)C1CC1 ZINC000591022511 385551164 /nfs/dbraw/zinc/55/11/64/385551164.db2.gz ITEVJFZFMYSZBT-LDYMZIIASA-N 1 2 215.293 0.689 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493194283 385554143 /nfs/dbraw/zinc/55/41/43/385554143.db2.gz UHWZQAJRCZFULW-YSLWFMIGSA-N 1 2 235.287 0.866 20 0 BCADLO CC[C@@H](C)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000181131146 385565189 /nfs/dbraw/zinc/56/51/89/385565189.db2.gz DUWRYJLBQPGJGN-SNVBAGLBSA-N 1 2 236.319 0.867 20 0 BCADLO CC[C@@H](C)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000181131146 385565191 /nfs/dbraw/zinc/56/51/91/385565191.db2.gz DUWRYJLBQPGJGN-SNVBAGLBSA-N 1 2 236.319 0.867 20 0 BCADLO Cc1cc(N2CCC[C@H]3C(=O)NC[C@H]32)nc[nH+]1 ZINC000408168283 385597938 /nfs/dbraw/zinc/59/79/38/385597938.db2.gz INNAJWBONHXATL-NXEZZACHSA-N 1 2 232.287 0.500 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000354022297 385598851 /nfs/dbraw/zinc/59/88/51/385598851.db2.gz MXOKSCXNZDOMJZ-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)C[C@@H]1CO ZINC000408196162 385600570 /nfs/dbraw/zinc/60/05/70/385600570.db2.gz YLNBLBPGADETFL-ZJUUUORDSA-N 1 2 247.298 0.505 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)C[C@@H]1CO ZINC000408196157 385600747 /nfs/dbraw/zinc/60/07/47/385600747.db2.gz YLNBLBPGADETFL-NXEZZACHSA-N 1 2 247.298 0.505 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280897260 385614888 /nfs/dbraw/zinc/61/48/88/385614888.db2.gz HHQDUYBVBCHCDY-FXPVBKGRSA-N 1 2 236.319 0.547 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+]2CCNC(=O)CC2)cn1 ZINC000408373354 385614839 /nfs/dbraw/zinc/61/48/39/385614839.db2.gz GPSFYFFDCKXLNS-JTQLQIEISA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cnc([C@H](C)[N@H+]2CCNC(=O)CC2)cn1 ZINC000408373354 385614845 /nfs/dbraw/zinc/61/48/45/385614845.db2.gz GPSFYFFDCKXLNS-JTQLQIEISA-N 1 2 234.303 0.668 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000335429702 385614983 /nfs/dbraw/zinc/61/49/83/385614983.db2.gz NFZXKKXYIIWDLO-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cnccc1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000335429702 385614985 /nfs/dbraw/zinc/61/49/85/385614985.db2.gz NFZXKKXYIIWDLO-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)OC ZINC000309495957 385616280 /nfs/dbraw/zinc/61/62/80/385616280.db2.gz YJLXUMQVHKJHPH-AEJSXWLSSA-N 1 2 231.292 0.189 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1nncn1C1CC1 ZINC000493782806 385619113 /nfs/dbraw/zinc/61/91/13/385619113.db2.gz HBIADCMZUAVXRO-ONEGZZNKSA-N 1 2 244.258 0.988 20 0 BCADLO CC(C)(O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000269661134 385620074 /nfs/dbraw/zinc/62/00/74/385620074.db2.gz WNHNAKFCLZVHJB-UHFFFAOYSA-N 1 2 248.290 0.427 20 0 BCADLO CCCn1cc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000119218042 385624025 /nfs/dbraw/zinc/62/40/25/385624025.db2.gz NQJMHOMCYYYABP-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CCCn1cc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000119218042 385624029 /nfs/dbraw/zinc/62/40/29/385624029.db2.gz NQJMHOMCYYYABP-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1[nH+]ccn1C ZINC000269756278 385633592 /nfs/dbraw/zinc/63/35/92/385633592.db2.gz UVDVXHNOQPVMAQ-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO CNc1nc(C)cc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000281230286 385646597 /nfs/dbraw/zinc/64/65/97/385646597.db2.gz SBRWYBHUMBAZEK-UHFFFAOYSA-N 1 2 249.318 0.214 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281233959 385648161 /nfs/dbraw/zinc/64/81/61/385648161.db2.gz OZXDBLXNLKOBLS-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281233959 385648167 /nfs/dbraw/zinc/64/81/67/385648167.db2.gz OZXDBLXNLKOBLS-SNVBAGLBSA-N 1 2 225.292 0.475 20 0 BCADLO C[N@H+](Cc1cncs1)[C@H]1COC[C@H]1O ZINC000307000336 385649468 /nfs/dbraw/zinc/64/94/68/385649468.db2.gz AGKNKQAZJVXGLI-DTWKUNHWSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@H]1COC[C@H]1O ZINC000307000336 385649473 /nfs/dbraw/zinc/64/94/73/385649473.db2.gz AGKNKQAZJVXGLI-DTWKUNHWSA-N 1 2 214.290 0.335 20 0 BCADLO CC(C)[N@H+](CC(=O)N(C)CC1CC1)C1COC1 ZINC000451119499 385659848 /nfs/dbraw/zinc/65/98/48/385659848.db2.gz FGEBHVQPOJVNDB-UHFFFAOYSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[N@@H+](CC(=O)N(C)CC1CC1)C1COC1 ZINC000451119499 385659854 /nfs/dbraw/zinc/65/98/54/385659854.db2.gz FGEBHVQPOJVNDB-UHFFFAOYSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)CCOCCO)o1 ZINC000337435426 385661153 /nfs/dbraw/zinc/66/11/53/385661153.db2.gz HMAURJQVRWFSJP-JTQLQIEISA-N 1 2 228.292 0.985 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)CCOCCO)o1 ZINC000337435426 385661156 /nfs/dbraw/zinc/66/11/56/385661156.db2.gz HMAURJQVRWFSJP-JTQLQIEISA-N 1 2 228.292 0.985 20 0 BCADLO O=C(C[NH2+]Cc1ncc[nH]1)NCC(F)(F)F ZINC000309526984 385662270 /nfs/dbraw/zinc/66/22/70/385662270.db2.gz CJVLIIQTFWGJBT-UHFFFAOYSA-N 1 2 236.197 0.178 20 0 BCADLO C[N@H+](CCOCCO)Cc1nnc(C2CC2)[nH]1 ZINC000337465159 385672720 /nfs/dbraw/zinc/67/27/20/385672720.db2.gz SVQXQVJVNHLIJX-UHFFFAOYSA-N 1 2 240.307 0.123 20 0 BCADLO C[N@@H+](CCOCCO)Cc1nnc(C2CC2)[nH]1 ZINC000337465159 385672723 /nfs/dbraw/zinc/67/27/23/385672723.db2.gz SVQXQVJVNHLIJX-UHFFFAOYSA-N 1 2 240.307 0.123 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCNC1=O)c1ccco1 ZINC000184533232 385674708 /nfs/dbraw/zinc/67/47/08/385674708.db2.gz ZWNCPKNPKHAGQG-IUCAKERBSA-N 1 2 224.260 0.445 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281504457 385677074 /nfs/dbraw/zinc/67/70/74/385677074.db2.gz GGPHGTXECBVYSI-DTWKUNHWSA-N 1 2 225.292 0.882 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281504457 385677077 /nfs/dbraw/zinc/67/70/77/385677077.db2.gz GGPHGTXECBVYSI-DTWKUNHWSA-N 1 2 225.292 0.882 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337472984 385677097 /nfs/dbraw/zinc/67/70/97/385677097.db2.gz WQFAUCWXOKDSQW-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337472984 385677101 /nfs/dbraw/zinc/67/71/01/385677101.db2.gz WQFAUCWXOKDSQW-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO O=C1C[N@H+](CCc2ccccn2)CCN1C1CC1 ZINC000337468584 385677485 /nfs/dbraw/zinc/67/74/85/385677485.db2.gz OEJHGCQIHUYCNL-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO O=C1C[N@@H+](CCc2ccccn2)CCN1C1CC1 ZINC000337468584 385677488 /nfs/dbraw/zinc/67/74/88/385677488.db2.gz OEJHGCQIHUYCNL-UHFFFAOYSA-N 1 2 245.326 0.931 20 0 BCADLO C[NH+](C)CC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366600932 385679481 /nfs/dbraw/zinc/67/94/81/385679481.db2.gz JDTAQWKVNURVNF-UHFFFAOYSA-N 1 2 246.274 0.367 20 0 BCADLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(N)=O ZINC000281570909 385682532 /nfs/dbraw/zinc/68/25/32/385682532.db2.gz ZALJFXRWKXJOPK-SNVBAGLBSA-N 1 2 222.292 0.432 20 0 BCADLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(N)=O ZINC000281570909 385682535 /nfs/dbraw/zinc/68/25/35/385682535.db2.gz ZALJFXRWKXJOPK-SNVBAGLBSA-N 1 2 222.292 0.432 20 0 BCADLO C[C@@H](CO)[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC000309563553 385695307 /nfs/dbraw/zinc/69/53/07/385695307.db2.gz LSLMRVZJGNSELM-YUMQZZPRSA-N 1 2 244.364 0.711 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCOC[C@H]1C1CC1 ZINC000270543949 385717894 /nfs/dbraw/zinc/71/78/94/385717894.db2.gz HWKOFPJBYFHRSA-LBPRGKRZSA-N 1 2 249.314 0.911 20 0 BCADLO Cc1[nH]c(C(=O)NCC2([S@@](C)=O)CC2)c[nH+]1 ZINC000281719328 385698229 /nfs/dbraw/zinc/69/82/29/385698229.db2.gz GSYIAYQZWNFLIH-MRXNPFEDSA-N 1 2 241.316 0.359 20 0 BCADLO C[N@H+](Cc1ccccn1)[C@H]1CCNC1=O ZINC000270423780 385707981 /nfs/dbraw/zinc/70/79/81/385707981.db2.gz VBTVLTXKJQOPNQ-JTQLQIEISA-N 1 2 205.261 0.402 20 0 BCADLO C[N@@H+](Cc1ccccn1)[C@H]1CCNC1=O ZINC000270423780 385707985 /nfs/dbraw/zinc/70/79/85/385707985.db2.gz VBTVLTXKJQOPNQ-JTQLQIEISA-N 1 2 205.261 0.402 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000307362560 385715618 /nfs/dbraw/zinc/71/56/18/385715618.db2.gz IUPXHSMCZJPFLI-NKWVEPMBSA-N 1 2 213.310 0.194 20 0 BCADLO COC[C@H](C)[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307212889 385667414 /nfs/dbraw/zinc/66/74/14/385667414.db2.gz WHYSUQJTEHCDHH-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO COC[C@H](C)[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307212889 385667417 /nfs/dbraw/zinc/66/74/17/385667417.db2.gz WHYSUQJTEHCDHH-RVBZMBCESA-N 1 2 205.323 0.474 20 0 BCADLO C[N@@H+](Cc1cnccn1)CC1OCCO1 ZINC000182411314 385667717 /nfs/dbraw/zinc/66/77/17/385667717.db2.gz BMWMYPPUEXURPI-UHFFFAOYSA-N 1 2 209.249 0.281 20 0 BCADLO C[N@H+](Cc1cnccn1)CC1OCCO1 ZINC000182411314 385667721 /nfs/dbraw/zinc/66/77/21/385667721.db2.gz BMWMYPPUEXURPI-UHFFFAOYSA-N 1 2 209.249 0.281 20 0 BCADLO Cc1nnc([C@H](C)[NH2+]CC(=O)NC2CC2)s1 ZINC000309533841 385669278 /nfs/dbraw/zinc/66/92/78/385669278.db2.gz DTSJUXAUYYSBKY-LURJTMIESA-N 1 2 240.332 0.776 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)NC2CC2)s1 ZINC000309533842 385669620 /nfs/dbraw/zinc/66/96/20/385669620.db2.gz DTSJUXAUYYSBKY-ZCFIWIBFSA-N 1 2 240.332 0.776 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCSC1 ZINC000494998387 385670501 /nfs/dbraw/zinc/67/05/01/385670501.db2.gz PCQGNIFNNTXKSN-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCSC1 ZINC000494998387 385670506 /nfs/dbraw/zinc/67/05/06/385670506.db2.gz PCQGNIFNNTXKSN-QMMMGPOBSA-N 1 2 227.337 0.395 20 0 BCADLO CC[N@H+](Cc1ccoc1)Cc1cnc(N)nc1N ZINC000638014933 385671283 /nfs/dbraw/zinc/67/12/83/385671283.db2.gz HYGRNQDKDHVYOY-UHFFFAOYSA-N 1 2 247.302 0.917 20 0 BCADLO CC[N@@H+](Cc1ccoc1)Cc1cnc(N)nc1N ZINC000638014933 385671291 /nfs/dbraw/zinc/67/12/91/385671291.db2.gz HYGRNQDKDHVYOY-UHFFFAOYSA-N 1 2 247.302 0.917 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000183028389 385730394 /nfs/dbraw/zinc/73/03/94/385730394.db2.gz SYLBTYHNLCUAHV-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000183028389 385730398 /nfs/dbraw/zinc/73/03/98/385730398.db2.gz SYLBTYHNLCUAHV-UHFFFAOYSA-N 1 2 238.335 0.898 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000270735470 385736275 /nfs/dbraw/zinc/73/62/75/385736275.db2.gz OSAMGEDHMJFJTI-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO Cc1c(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cnn1C ZINC000282159059 385736530 /nfs/dbraw/zinc/73/65/30/385736530.db2.gz LNZLXZPYSKIRAR-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cnn1C ZINC000282159059 385736532 /nfs/dbraw/zinc/73/65/32/385736532.db2.gz LNZLXZPYSKIRAR-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000336694973 385743867 /nfs/dbraw/zinc/74/38/67/385743867.db2.gz NUDRGWVXZZSFBZ-SNVBAGLBSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000336694973 385743870 /nfs/dbraw/zinc/74/38/70/385743870.db2.gz NUDRGWVXZZSFBZ-SNVBAGLBSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000282251237 385744909 /nfs/dbraw/zinc/74/49/09/385744909.db2.gz BELVMXNCMDCDJO-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000282251237 385744916 /nfs/dbraw/zinc/74/49/16/385744916.db2.gz BELVMXNCMDCDJO-JTQLQIEISA-N 1 2 249.314 0.758 20 0 BCADLO C[N@H+](CCO)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000270784071 385745031 /nfs/dbraw/zinc/74/50/31/385745031.db2.gz PPHLQRVMNXWYPE-SNVBAGLBSA-N 1 2 226.251 0.276 20 0 BCADLO C[N@@H+](CCO)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000270784071 385745037 /nfs/dbraw/zinc/74/50/37/385745037.db2.gz PPHLQRVMNXWYPE-SNVBAGLBSA-N 1 2 226.251 0.276 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCn1cc[nH+]c1 ZINC000270843290 385750870 /nfs/dbraw/zinc/75/08/70/385750870.db2.gz GIRFCKKXSIRNNI-UVWXRNBGSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1ccnc1 ZINC000270843290 385750872 /nfs/dbraw/zinc/75/08/72/385750872.db2.gz GIRFCKKXSIRNNI-UVWXRNBGSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1ccnc1 ZINC000270843290 385750875 /nfs/dbraw/zinc/75/08/75/385750875.db2.gz GIRFCKKXSIRNNI-UVWXRNBGSA-N 1 2 241.360 0.724 20 0 BCADLO COC(=O)C1(NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000270837103 385751006 /nfs/dbraw/zinc/75/10/06/385751006.db2.gz HHDHBRYJTTUECE-UHFFFAOYSA-N 1 2 223.232 0.154 20 0 BCADLO CC(C)c1nc(N(C)C)nc(NCCCO)[nH+]1 ZINC000270893117 385757949 /nfs/dbraw/zinc/75/79/49/385757949.db2.gz CVOUSFYEMCOEOL-UHFFFAOYSA-N 1 2 239.323 0.855 20 0 BCADLO CC(C)c1nc(NCCCO)nc(N(C)C)[nH+]1 ZINC000270893117 385757952 /nfs/dbraw/zinc/75/79/52/385757952.db2.gz CVOUSFYEMCOEOL-UHFFFAOYSA-N 1 2 239.323 0.855 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282446153 385763696 /nfs/dbraw/zinc/76/36/96/385763696.db2.gz ZQMCUUICCIHGTR-QMMMGPOBSA-N 1 2 237.303 0.954 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282446153 385763703 /nfs/dbraw/zinc/76/37/03/385763703.db2.gz ZQMCUUICCIHGTR-QMMMGPOBSA-N 1 2 237.303 0.954 20 0 BCADLO CC(C)c1nc(N(C)CCO)nc(N(C)C)[nH+]1 ZINC000270964717 385765403 /nfs/dbraw/zinc/76/54/03/385765403.db2.gz RRYQEJCWAINESK-UHFFFAOYSA-N 1 2 239.323 0.490 20 0 BCADLO CC(C)c1nc(N(C)C)nc(N(C)CCO)[nH+]1 ZINC000270964717 385765407 /nfs/dbraw/zinc/76/54/07/385765407.db2.gz RRYQEJCWAINESK-UHFFFAOYSA-N 1 2 239.323 0.490 20 0 BCADLO CN(CC(=O)N(C)C1CC1)Cc1[nH+]ccn1C ZINC000271006364 385769721 /nfs/dbraw/zinc/76/97/21/385769721.db2.gz KZSRFWGGGQVFFB-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1c1ncnc(N)c1Cl ZINC000235687594 259674716 /nfs/dbraw/zinc/67/47/16/259674716.db2.gz XORWITQHLDFZKJ-ZETCQYMHSA-N 1 2 241.726 0.853 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1c1ncnc(N)c1Cl ZINC000235687594 259674718 /nfs/dbraw/zinc/67/47/18/259674718.db2.gz XORWITQHLDFZKJ-ZETCQYMHSA-N 1 2 241.726 0.853 20 0 BCADLO CC(C)n1ccnc1C[N@H+](C)CCOCCO ZINC000282537850 385771154 /nfs/dbraw/zinc/77/11/54/385771154.db2.gz QRYYLWYWCLNDBY-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO CC(C)n1ccnc1C[N@@H+](C)CCOCCO ZINC000282537850 385771158 /nfs/dbraw/zinc/77/11/58/385771158.db2.gz QRYYLWYWCLNDBY-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccon1 ZINC000309663532 385773524 /nfs/dbraw/zinc/77/35/24/385773524.db2.gz SGGLGFBPHAVFLA-XVKPBYJWSA-N 1 2 228.248 0.249 20 0 BCADLO CC[N@H+](C[C@@H](O)C(F)(F)F)C1COC1 ZINC000451288912 385773715 /nfs/dbraw/zinc/77/37/15/385773715.db2.gz UKZDLYJLUYZXKL-SSDOTTSWSA-N 1 2 213.199 0.630 20 0 BCADLO CC[N@@H+](C[C@@H](O)C(F)(F)F)C1COC1 ZINC000451288912 385773716 /nfs/dbraw/zinc/77/37/16/385773716.db2.gz UKZDLYJLUYZXKL-SSDOTTSWSA-N 1 2 213.199 0.630 20 0 BCADLO CC(=O)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC000340147092 385779398 /nfs/dbraw/zinc/77/93/98/385779398.db2.gz OZMVGFKCIFLIQN-UHFFFAOYSA-N 1 2 246.270 0.913 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)C2(C)CCC2)C[NH2+]1 ZINC000365793580 385781893 /nfs/dbraw/zinc/78/18/93/385781893.db2.gz SBZWVMSDKOGBMI-DTWKUNHWSA-N 1 2 240.303 0.196 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000340148308 385782924 /nfs/dbraw/zinc/78/29/24/385782924.db2.gz QKVCISDBQDPBMK-UHFFFAOYSA-N 1 2 246.270 0.791 20 0 BCADLO COC(C[N@H+](CCCO)Cc1ccon1)OC ZINC000183659702 385785046 /nfs/dbraw/zinc/78/50/46/385785046.db2.gz BRNSRXPVUFEEDD-UHFFFAOYSA-N 1 2 244.291 0.478 20 0 BCADLO COC(C[N@@H+](CCCO)Cc1ccon1)OC ZINC000183659702 385785051 /nfs/dbraw/zinc/78/50/51/385785051.db2.gz BRNSRXPVUFEEDD-UHFFFAOYSA-N 1 2 244.291 0.478 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000270639111 385725190 /nfs/dbraw/zinc/72/51/90/385725190.db2.gz HXFJOCGFNJSXLJ-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000270639111 385725196 /nfs/dbraw/zinc/72/51/96/385725196.db2.gz HXFJOCGFNJSXLJ-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO COCCn1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000271094833 385785539 /nfs/dbraw/zinc/78/55/39/385785539.db2.gz KUVXRRJFVDRTEX-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO COCCn1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000271094833 385785547 /nfs/dbraw/zinc/78/55/47/385785547.db2.gz KUVXRRJFVDRTEX-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CC(C)[C@H](NC(=O)c1cnnn1C)c1[nH]cc[nH+]1 ZINC000282969462 385798774 /nfs/dbraw/zinc/79/87/74/385798774.db2.gz JGBXHPAJXSGVDD-VIFPVBQESA-N 1 2 248.290 0.665 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc(O)cc2)n1 ZINC000289970853 385799646 /nfs/dbraw/zinc/79/96/46/385799646.db2.gz ZDCQSOFRNCLSFW-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO COC(=O)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000284231677 385856677 /nfs/dbraw/zinc/85/66/77/385856677.db2.gz BQMMNBZFCBJUIX-GORDUTHDSA-N 1 2 249.270 0.587 20 0 BCADLO COc1cc(C)[nH+]c(CONC(C)=O)c1 ZINC000271231326 385808188 /nfs/dbraw/zinc/80/81/88/385808188.db2.gz UQKWDFMNEUFZIN-UHFFFAOYSA-N 1 2 210.233 0.966 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCO ZINC000283116537 385809559 /nfs/dbraw/zinc/80/95/59/385809559.db2.gz YBEFWQVDTKINSX-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)(F)CO ZINC000283111307 385810864 /nfs/dbraw/zinc/81/08/64/385810864.db2.gz MNVKBDPFZHGQEK-OWOJBTEDSA-N 1 2 231.202 0.167 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]Cc1cn[nH]n1 ZINC000283966453 385812947 /nfs/dbraw/zinc/81/29/47/385812947.db2.gz LUWXLAQVOWLLFX-MRVPVSSYSA-N 1 2 206.253 0.180 20 0 BCADLO Cc1ccc(NC(=O)C2(NC(N)=O)CC2)c(C)[nH+]1 ZINC000271294891 385814994 /nfs/dbraw/zinc/81/49/94/385814994.db2.gz NJSJAYJNOASOFA-UHFFFAOYSA-N 1 2 248.286 0.838 20 0 BCADLO CC(C)OCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186950188 385816710 /nfs/dbraw/zinc/81/67/10/385816710.db2.gz ZCPUAZJFRUVTAJ-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)OCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186950188 385816715 /nfs/dbraw/zinc/81/67/15/385816715.db2.gz ZCPUAZJFRUVTAJ-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO C[C@@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271336278 385818365 /nfs/dbraw/zinc/81/83/65/385818365.db2.gz SIWSUWBFLPKDLD-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C ZINC000186941235 385818682 /nfs/dbraw/zinc/81/86/82/385818682.db2.gz YEDCOGZBXIHWGJ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C ZINC000186941235 385818685 /nfs/dbraw/zinc/81/86/85/385818685.db2.gz YEDCOGZBXIHWGJ-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO O=C(CCOCC(F)F)NCc1[nH]cc[nH+]1 ZINC000232336016 385857486 /nfs/dbraw/zinc/85/74/86/385857486.db2.gz LUBWUQZDJKLZSA-UHFFFAOYSA-N 1 2 233.218 0.698 20 0 BCADLO COC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000284223730 385857595 /nfs/dbraw/zinc/85/75/95/385857595.db2.gz BCHNUBPYVQEJRD-ZWNMCFTASA-N 1 2 235.287 0.964 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000231851377 385823749 /nfs/dbraw/zinc/82/37/49/385823749.db2.gz ZCYATELANHRLQG-SECBINFHSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1ccn(C)n1 ZINC000271403322 385825507 /nfs/dbraw/zinc/82/55/07/385825507.db2.gz WEIOKKYJGFPRIP-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccn(C)n1 ZINC000271403322 385825513 /nfs/dbraw/zinc/82/55/13/385825513.db2.gz WEIOKKYJGFPRIP-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CSC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000602923042 385830756 /nfs/dbraw/zinc/83/07/56/385830756.db2.gz NCPUCBYLENSLEI-UHFFFAOYSA-N 1 2 228.321 0.838 20 0 BCADLO COCC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493423792 533146006 /nfs/dbraw/zinc/14/60/06/533146006.db2.gz RXFTYWQVDUFYSE-IHWYPQMZSA-N 1 2 221.260 0.718 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccon1 ZINC000336740851 385839568 /nfs/dbraw/zinc/83/95/68/385839568.db2.gz MOVWJZGISIOKKA-SECBINFHSA-N 1 2 223.276 0.948 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC1CC1 ZINC000283925071 385840802 /nfs/dbraw/zinc/84/08/02/385840802.db2.gz KCRGDDGJLBFOMM-ONEGZZNKSA-N 1 2 235.287 0.966 20 0 BCADLO O=C1CNC(=O)N1CC[N@H+]1CCC=C(F)C1 ZINC000271665311 385843141 /nfs/dbraw/zinc/84/31/41/385843141.db2.gz VXQKAYYVAHUXGS-UHFFFAOYSA-N 1 2 227.239 0.097 20 0 BCADLO O=C1CNC(=O)N1CC[N@@H+]1CCC=C(F)C1 ZINC000271665311 385843147 /nfs/dbraw/zinc/84/31/47/385843147.db2.gz VXQKAYYVAHUXGS-UHFFFAOYSA-N 1 2 227.239 0.097 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccon1 ZINC000271653293 385844737 /nfs/dbraw/zinc/84/47/37/385844737.db2.gz VRVREMZIHMVVDW-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccon1 ZINC000271653293 385844742 /nfs/dbraw/zinc/84/47/42/385844742.db2.gz VRVREMZIHMVVDW-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccon1 ZINC000271653293 385844747 /nfs/dbraw/zinc/84/47/47/385844747.db2.gz VRVREMZIHMVVDW-LLVKDONJSA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294417886 385847899 /nfs/dbraw/zinc/84/78/99/385847899.db2.gz OIBDLXKODNHCBM-SFYZADRCSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294417886 385847903 /nfs/dbraw/zinc/84/79/03/385847903.db2.gz OIBDLXKODNHCBM-SFYZADRCSA-N 1 2 226.280 0.062 20 0 BCADLO Cn1cnc2cc(C[N@@H+]3CCNC(=O)C3)ccc21 ZINC000271824809 385853060 /nfs/dbraw/zinc/85/30/60/385853060.db2.gz PSYNNWUZINBQSY-UHFFFAOYSA-N 1 2 244.298 0.505 20 0 BCADLO Cn1cnc2cc(C[N@H+]3CCNC(=O)C3)ccc21 ZINC000271824809 385853062 /nfs/dbraw/zinc/85/30/62/385853062.db2.gz PSYNNWUZINBQSY-UHFFFAOYSA-N 1 2 244.298 0.505 20 0 BCADLO Cc1cnc(C[NH2+]C[C@H](O)C(F)(F)F)n1C ZINC000309688408 385790410 /nfs/dbraw/zinc/79/04/10/385790410.db2.gz IEDIEAOLIFELEB-ZETCQYMHSA-N 1 2 237.225 0.741 20 0 BCADLO Cc1c[nH+]c(CNC[C@H](O)C(F)(F)F)n1C ZINC000309688408 385790411 /nfs/dbraw/zinc/79/04/11/385790411.db2.gz IEDIEAOLIFELEB-ZETCQYMHSA-N 1 2 237.225 0.741 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CCOCCO ZINC000282899730 385794482 /nfs/dbraw/zinc/79/44/82/385794482.db2.gz ZZTNWWMVKXDNSU-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CCOCCO ZINC000282899730 385794486 /nfs/dbraw/zinc/79/44/86/385794486.db2.gz ZZTNWWMVKXDNSU-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CO)C2)n1 ZINC000271171380 385796346 /nfs/dbraw/zinc/79/63/46/385796346.db2.gz JCSQWKNGABNNQQ-JTQLQIEISA-N 1 2 238.287 0.289 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCO[C@H](CO)C2)n1 ZINC000271171380 385796349 /nfs/dbraw/zinc/79/63/49/385796349.db2.gz JCSQWKNGABNNQQ-JTQLQIEISA-N 1 2 238.287 0.289 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000284812318 385886185 /nfs/dbraw/zinc/88/61/85/385886185.db2.gz XDKGQATVVGAWRW-RYUDHWBXSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000284812318 385886189 /nfs/dbraw/zinc/88/61/89/385886189.db2.gz XDKGQATVVGAWRW-RYUDHWBXSA-N 1 2 249.314 0.560 20 0 BCADLO O=C([C@@H]1C[C@H]1C(F)F)N1CC[NH+](CCO)CC1 ZINC000338126193 385896622 /nfs/dbraw/zinc/89/66/22/385896622.db2.gz IOSACZJHCJEGDX-RKDXNWHRSA-N 1 2 248.273 0.024 20 0 BCADLO CC[C@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000647845281 385896854 /nfs/dbraw/zinc/89/68/54/385896854.db2.gz ZRSQOIYPFAHFJI-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BCADLO CC[C@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000647845281 385896858 /nfs/dbraw/zinc/89/68/58/385896858.db2.gz ZRSQOIYPFAHFJI-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000285077955 385897622 /nfs/dbraw/zinc/89/76/22/385897622.db2.gz HVMRBVMUEGNXNX-SECBINFHSA-N 1 2 211.265 0.016 20 0 BCADLO Cc1nc(NCCCCCO)nc(N)[nH+]1 ZINC000308858405 385898827 /nfs/dbraw/zinc/89/88/27/385898827.db2.gz JBXINWTUVXOJNP-UHFFFAOYSA-N 1 2 211.269 0.337 20 0 BCADLO Cc1nc(N)nc(NCCCCCO)[nH+]1 ZINC000308858405 385898833 /nfs/dbraw/zinc/89/88/33/385898833.db2.gz JBXINWTUVXOJNP-UHFFFAOYSA-N 1 2 211.269 0.337 20 0 BCADLO Cc1nc(NCCOC(C)C)nc(N)[nH+]1 ZINC000308854683 385899296 /nfs/dbraw/zinc/89/92/96/385899296.db2.gz IELMDPKNMHXNHW-UHFFFAOYSA-N 1 2 211.269 0.599 20 0 BCADLO Cc1nc(N)nc(NCCOC(C)C)[nH+]1 ZINC000308854683 385899301 /nfs/dbraw/zinc/89/93/01/385899301.db2.gz IELMDPKNMHXNHW-UHFFFAOYSA-N 1 2 211.269 0.599 20 0 BCADLO Cn1[nH]cnc1=NCCNc1cccc[nH+]1 ZINC000647850049 385901258 /nfs/dbraw/zinc/90/12/58/385901258.db2.gz XXLGPZOYJMWYCX-UHFFFAOYSA-N 1 2 218.264 0.156 20 0 BCADLO CCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338131813 385902391 /nfs/dbraw/zinc/90/23/91/385902391.db2.gz IAYZZMAYQDRUKO-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000308886268 385904081 /nfs/dbraw/zinc/90/40/81/385904081.db2.gz PXWRNHZREJCHAL-BQBZGAKWSA-N 1 2 207.281 0.854 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000308886268 385904083 /nfs/dbraw/zinc/90/40/83/385904083.db2.gz PXWRNHZREJCHAL-BQBZGAKWSA-N 1 2 207.281 0.854 20 0 BCADLO CN(CC1CC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338162855 385905089 /nfs/dbraw/zinc/90/50/89/385905089.db2.gz AMUPFAQBPDDVTQ-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1nocc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000294868742 385908069 /nfs/dbraw/zinc/90/80/69/385908069.db2.gz JYCLMJIUHNOXPL-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1nocc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000294868742 385908073 /nfs/dbraw/zinc/90/80/73/385908073.db2.gz JYCLMJIUHNOXPL-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO c1[nH]c(CN2CCO[C@@]3(CCCOC3)C2)c[nH+]1 ZINC000285267450 385910846 /nfs/dbraw/zinc/91/08/46/385910846.db2.gz IILDVLUISKHJGC-LBPRGKRZSA-N 1 2 237.303 0.791 20 0 BCADLO Cc1nocc1C[N@@H+](C)CC(=O)NC(C)C ZINC000294902407 385912032 /nfs/dbraw/zinc/91/20/32/385912032.db2.gz MSGSDMQJOPXHAS-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1nocc1C[N@H+](C)CC(=O)NC(C)C ZINC000294902407 385912035 /nfs/dbraw/zinc/91/20/35/385912035.db2.gz MSGSDMQJOPXHAS-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO CC[C@](C)([NH2+]CCOCCOC)C(=O)OC ZINC000336746099 385918966 /nfs/dbraw/zinc/91/89/66/385918966.db2.gz WESSOSJDIVRBHI-NSHDSACASA-N 1 2 233.308 0.581 20 0 BCADLO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331771402 385920182 /nfs/dbraw/zinc/92/01/82/385920182.db2.gz LSGWIOKDADOMLC-CNUIFLNQSA-N 1 2 240.307 0.659 20 0 BCADLO CCSCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000122470414 385921109 /nfs/dbraw/zinc/92/11/09/385921109.db2.gz KAWQTHLINXTGGI-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CCSCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000122470414 385921113 /nfs/dbraw/zinc/92/11/13/385921113.db2.gz KAWQTHLINXTGGI-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CO[C@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338209394 385923773 /nfs/dbraw/zinc/92/37/73/385923773.db2.gz USYSIOMOJKSCQQ-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123899045 385924937 /nfs/dbraw/zinc/92/49/37/385924937.db2.gz OYBXSEPUYIJKKX-LLVKDONJSA-N 1 2 239.323 0.601 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000123899045 385924943 /nfs/dbraw/zinc/92/49/43/385924943.db2.gz OYBXSEPUYIJKKX-LLVKDONJSA-N 1 2 239.323 0.601 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342094140 385925165 /nfs/dbraw/zinc/92/51/65/385925165.db2.gz BQHQMJMFNYUFDB-ZETCQYMHSA-N 1 2 210.281 0.495 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342094140 385925172 /nfs/dbraw/zinc/92/51/72/385925172.db2.gz BQHQMJMFNYUFDB-ZETCQYMHSA-N 1 2 210.281 0.495 20 0 BCADLO Cc1cc(=O)[nH]c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000340191051 385866364 /nfs/dbraw/zinc/86/63/64/385866364.db2.gz FYQGZCWPLZWWOX-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO COC[C@@H](O)CCNc1cc[nH+]c(C)n1 ZINC000123283056 385867912 /nfs/dbraw/zinc/86/79/12/385867912.db2.gz VBDKKIBBIHSHIR-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC000294583204 385870067 /nfs/dbraw/zinc/87/00/67/385870067.db2.gz YUIYTMJPETZPRA-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H](C)CCO)[nH+]cn1 ZINC000294583204 385870074 /nfs/dbraw/zinc/87/00/74/385870074.db2.gz YUIYTMJPETZPRA-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](CCO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294583202 385871224 /nfs/dbraw/zinc/87/12/24/385871224.db2.gz YUIYTMJPETZPRA-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](CCO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294583202 385871229 /nfs/dbraw/zinc/87/12/29/385871229.db2.gz YUIYTMJPETZPRA-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2nccnc2C)c[nH+]1 ZINC000294640398 385876950 /nfs/dbraw/zinc/87/69/50/385876950.db2.gz QZNDUDKZQKNFTG-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO CCCn1ncnc1CN1CCn2c[nH+]cc2C1 ZINC000647940575 385877951 /nfs/dbraw/zinc/87/79/51/385877951.db2.gz HYSBLLBXJVEJHI-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO O=C1CNC(=O)N1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000272192450 385882632 /nfs/dbraw/zinc/88/26/32/385882632.db2.gz QEQBALCXGSDCPG-SECBINFHSA-N 1 2 246.270 0.212 20 0 BCADLO CC(C)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647940745 385882726 /nfs/dbraw/zinc/88/27/26/385882726.db2.gz WOKDZEVHZLIMFK-UHFFFAOYSA-N 1 2 222.292 0.223 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](C(=O)OC)O[C@@H](C)C1 ZINC000338354498 385977046 /nfs/dbraw/zinc/97/70/46/385977046.db2.gz GJOWDFJQOQODFH-LPEHRKFASA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](C(=O)OC)O[C@@H](C)C1 ZINC000338354498 385977049 /nfs/dbraw/zinc/97/70/49/385977049.db2.gz GJOWDFJQOQODFH-LPEHRKFASA-N 1 2 233.283 0.997 20 0 BCADLO COC(=O)CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000338382189 385983831 /nfs/dbraw/zinc/98/38/31/385983831.db2.gz FUVKUWTZXAVBHI-UHFFFAOYSA-N 1 2 239.275 0.759 20 0 BCADLO CCCc1csc(C[NH2+]CC(=O)NC)n1 ZINC000336748851 385989389 /nfs/dbraw/zinc/98/93/89/385989389.db2.gz DBAQSQLXMVJQQN-UHFFFAOYSA-N 1 2 227.333 0.931 20 0 BCADLO Cc1nc(NC[C@H]2CCC[C@H](O)C2)nc(N)[nH+]1 ZINC000306069409 385990476 /nfs/dbraw/zinc/99/04/76/385990476.db2.gz BMKYGGNDMZIKBO-IUCAKERBSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC[C@H](O)C2)[nH+]1 ZINC000306069409 385990481 /nfs/dbraw/zinc/99/04/81/385990481.db2.gz BMKYGGNDMZIKBO-IUCAKERBSA-N 1 2 237.307 0.725 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000425417223 385992473 /nfs/dbraw/zinc/99/24/73/385992473.db2.gz JTTRZBAQZMMYBZ-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO C[C@H](O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000425417223 385992481 /nfs/dbraw/zinc/99/24/81/385992481.db2.gz JTTRZBAQZMMYBZ-RWEMILLDSA-N 1 2 205.323 0.210 20 0 BCADLO CN(C)c1ccc(CNC(=O)C2(C)COC2)c[nH+]1 ZINC000272784513 385934627 /nfs/dbraw/zinc/93/46/27/385934627.db2.gz FNSFKFZRTZPDLP-UHFFFAOYSA-N 1 2 249.314 0.800 20 0 BCADLO Cc1nc(NCCC(C)(C)O)nc(N)[nH+]1 ZINC000309006477 385934909 /nfs/dbraw/zinc/93/49/09/385934909.db2.gz NHZDLEBQNUCLBT-UHFFFAOYSA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(N)nc(NCCC(C)(C)O)[nH+]1 ZINC000309006477 385934913 /nfs/dbraw/zinc/93/49/13/385934913.db2.gz NHZDLEBQNUCLBT-UHFFFAOYSA-N 1 2 211.269 0.335 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338280603 385945155 /nfs/dbraw/zinc/94/51/55/385945155.db2.gz HSLWQSSQDUXFNZ-WCBMZHEXSA-N 1 2 213.277 0.047 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338280603 385945160 /nfs/dbraw/zinc/94/51/60/385945160.db2.gz HSLWQSSQDUXFNZ-WCBMZHEXSA-N 1 2 213.277 0.047 20 0 BCADLO CCCc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000233376972 385946608 /nfs/dbraw/zinc/94/66/08/385946608.db2.gz LRWSSQKWKOIRGU-NXEZZACHSA-N 1 2 242.344 0.633 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000335051889 385948230 /nfs/dbraw/zinc/94/82/30/385948230.db2.gz LPZGRDBXCBYXLC-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000335051889 385948236 /nfs/dbraw/zinc/94/82/36/385948236.db2.gz LPZGRDBXCBYXLC-WDEREUQCSA-N 1 2 225.336 0.243 20 0 BCADLO COCc1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000342203604 385956712 /nfs/dbraw/zinc/95/67/12/385956712.db2.gz FTFLSGXXBDIKJE-UHFFFAOYSA-N 1 2 239.304 0.940 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000161401244 385971977 /nfs/dbraw/zinc/97/19/77/385971977.db2.gz ZAUOVSFUYHPLLB-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000161401102 385972842 /nfs/dbraw/zinc/97/28/42/385972842.db2.gz ZAUOVSFUYHPLLB-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO COCC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000189283959 385972977 /nfs/dbraw/zinc/97/29/77/385972977.db2.gz PEDVOZPTEKTGPJ-VIFPVBQESA-N 1 2 239.323 0.630 20 0 BCADLO C[C@H]1C[C@H](C)N1C(=O)NCC[NH+]1CCOCC1 ZINC000335016427 385973758 /nfs/dbraw/zinc/97/37/58/385973758.db2.gz NVZVGVWYUFWTGP-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO Cc1ccncc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295130164 385974148 /nfs/dbraw/zinc/97/41/48/385974148.db2.gz YJVAOROBPHRQJX-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccncc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295130164 385974153 /nfs/dbraw/zinc/97/41/53/385974153.db2.gz YJVAOROBPHRQJX-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO O=C1NC2(CCC2)C(=O)N1CCCn1cc[nH+]c1 ZINC000273425999 385999153 /nfs/dbraw/zinc/99/91/53/385999153.db2.gz JCMOPHYBQSFXKJ-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO CC[N@H+](CCOC)Cc1oncc1C(=O)OC ZINC000286127390 386001324 /nfs/dbraw/zinc/00/13/24/386001324.db2.gz WFVNOUARUIVJCP-UHFFFAOYSA-N 1 2 242.275 0.930 20 0 BCADLO CC[N@@H+](CCOC)Cc1oncc1C(=O)OC ZINC000286127390 386001327 /nfs/dbraw/zinc/00/13/27/386001327.db2.gz WFVNOUARUIVJCP-UHFFFAOYSA-N 1 2 242.275 0.930 20 0 BCADLO Cn1nncc1C[N@H+](C)Cc1ccccn1 ZINC000273433236 386002247 /nfs/dbraw/zinc/00/22/47/386002247.db2.gz UUAWNWBEHXEUEE-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1nncc1C[N@@H+](C)Cc1ccccn1 ZINC000273433236 386002254 /nfs/dbraw/zinc/00/22/54/386002254.db2.gz UUAWNWBEHXEUEE-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425420092 386005118 /nfs/dbraw/zinc/00/51/18/386005118.db2.gz LTXKSBIPTXELLD-RXMQYKEDSA-N 1 2 221.207 0.820 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425420092 386005122 /nfs/dbraw/zinc/00/51/22/386005122.db2.gz LTXKSBIPTXELLD-RXMQYKEDSA-N 1 2 221.207 0.820 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(C)C)s1 ZINC000336770682 386010465 /nfs/dbraw/zinc/01/04/65/386010465.db2.gz WUIBLDYUBMVBLC-ZCFIWIBFSA-N 1 2 228.321 0.585 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)C1CC1 ZINC000336752428 386017547 /nfs/dbraw/zinc/01/75/47/386017547.db2.gz DINRBDQWSCUKTM-GHMZBOCLSA-N 1 2 227.304 0.953 20 0 BCADLO COCCOCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000221858909 386023778 /nfs/dbraw/zinc/02/37/78/386023778.db2.gz NNEPVNOYZJSYDA-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@](C)(O)C1CC1 ZINC000286358197 386028554 /nfs/dbraw/zinc/02/85/54/386028554.db2.gz JHNPZFSGRCAWCG-SKDRFNHKSA-N 1 2 237.303 0.549 20 0 BCADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000286379681 386032149 /nfs/dbraw/zinc/03/21/49/386032149.db2.gz OGMANDIHDHJKAY-MOVJSRMASA-N 1 2 236.275 0.193 20 0 BCADLO CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334431258 386033436 /nfs/dbraw/zinc/03/34/36/386033436.db2.gz BMAFYEQJWKVPPG-SECBINFHSA-N 1 2 207.277 0.972 20 0 BCADLO CO[C@H](C[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000338546147 386038896 /nfs/dbraw/zinc/03/88/96/386038896.db2.gz KIKOFCYJOQPVTM-GFCCVEGCSA-N 1 2 234.299 0.806 20 0 BCADLO CO[C@H](C[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000338546147 386038897 /nfs/dbraw/zinc/03/88/97/386038897.db2.gz KIKOFCYJOQPVTM-GFCCVEGCSA-N 1 2 234.299 0.806 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C=CCCC1 ZINC000334436931 386042563 /nfs/dbraw/zinc/04/25/63/386042563.db2.gz QMWSLUVXQQBYFW-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C=CCCC1 ZINC000334436931 386042569 /nfs/dbraw/zinc/04/25/69/386042569.db2.gz QMWSLUVXQQBYFW-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO COC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000336771504 386043436 /nfs/dbraw/zinc/04/34/36/386043436.db2.gz WVRSSNPIMJEBAL-SSDOTTSWSA-N 1 2 212.253 0.025 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000286471652 386044036 /nfs/dbraw/zinc/04/40/36/386044036.db2.gz PHRQADYLCQOKNV-LLVKDONJSA-N 1 2 240.259 0.418 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000286471652 386044038 /nfs/dbraw/zinc/04/40/38/386044038.db2.gz PHRQADYLCQOKNV-LLVKDONJSA-N 1 2 240.259 0.418 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1nnnn1C)C1CC1 ZINC000425425327 386047419 /nfs/dbraw/zinc/04/74/19/386047419.db2.gz QRLQNLLUZPVCJO-SECBINFHSA-N 1 2 225.296 0.067 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1nnnn1C)C1CC1 ZINC000425425327 386047426 /nfs/dbraw/zinc/04/74/26/386047426.db2.gz QRLQNLLUZPVCJO-SECBINFHSA-N 1 2 225.296 0.067 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(C2CC2)C1 ZINC000643286686 386051664 /nfs/dbraw/zinc/05/16/64/386051664.db2.gz CXUOSZZNUJFHSA-UHFFFAOYSA-N 1 2 219.288 0.831 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000331801483 385996015 /nfs/dbraw/zinc/99/60/15/385996015.db2.gz BRXZCGVMTBLPEH-SNVBAGLBSA-N 1 2 246.318 0.897 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000331801483 385996018 /nfs/dbraw/zinc/99/60/18/385996018.db2.gz BRXZCGVMTBLPEH-SNVBAGLBSA-N 1 2 246.318 0.897 20 0 BCADLO COc1ccncc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000287218775 386104716 /nfs/dbraw/zinc/10/47/16/386104716.db2.gz IZEORMMEJKSURQ-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccncc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000287218775 386104720 /nfs/dbraw/zinc/10/47/20/386104720.db2.gz IZEORMMEJKSURQ-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCOCC12CC2 ZINC000338694212 386108893 /nfs/dbraw/zinc/10/88/93/386108893.db2.gz SRGFCUTVTOOZBG-UHFFFAOYSA-N 1 2 249.314 0.744 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000336729490 386121343 /nfs/dbraw/zinc/12/13/43/386121343.db2.gz DDKCQYZEIPSBEF-RQJHMYQMSA-N 1 2 242.348 0.974 20 0 BCADLO CN(CCC(N)=O)c1cc(NCC2CC2)[nH+]cn1 ZINC000286653034 386063767 /nfs/dbraw/zinc/06/37/67/386063767.db2.gz WOYZGOFCVBNARF-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO CN(CCC(N)=O)c1cc(NCC2CC2)nc[nH+]1 ZINC000286653034 386063773 /nfs/dbraw/zinc/06/37/73/386063773.db2.gz WOYZGOFCVBNARF-UHFFFAOYSA-N 1 2 249.318 0.610 20 0 BCADLO Cn1c[nH+]cc1CN1CCC[C@](F)(CO)C1 ZINC000286700052 386065776 /nfs/dbraw/zinc/06/57/76/386065776.db2.gz BFNVPZODTSDNAU-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286700052 386065783 /nfs/dbraw/zinc/06/57/83/386065783.db2.gz BFNVPZODTSDNAU-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cncc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286700052 386065789 /nfs/dbraw/zinc/06/57/89/386065789.db2.gz BFNVPZODTSDNAU-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000335072904 386066275 /nfs/dbraw/zinc/06/62/75/386066275.db2.gz LALUPGPDCFIPQF-MNOVXSKESA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000335072904 386066280 /nfs/dbraw/zinc/06/62/80/386066280.db2.gz LALUPGPDCFIPQF-MNOVXSKESA-N 1 2 224.304 0.328 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1ncnn1CC(F)F ZINC000338598141 386068474 /nfs/dbraw/zinc/06/84/74/386068474.db2.gz OVOAZJJMYWUEOY-ZETCQYMHSA-N 1 2 234.250 0.356 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000338598141 386068478 /nfs/dbraw/zinc/06/84/78/386068478.db2.gz OVOAZJJMYWUEOY-ZETCQYMHSA-N 1 2 234.250 0.356 20 0 BCADLO CCc1nocc1C[NH+]1CCN(C(C)=O)CC1 ZINC000334441426 386070225 /nfs/dbraw/zinc/07/02/25/386070225.db2.gz ZXXHJTVZFAPDSZ-UHFFFAOYSA-N 1 2 237.303 0.901 20 0 BCADLO c1ncn(CC[N@@H+]2CCOCC23CC3)n1 ZINC000338598459 386070235 /nfs/dbraw/zinc/07/02/35/386070235.db2.gz MINXNMVINSCNAU-UHFFFAOYSA-N 1 2 208.265 0.143 20 0 BCADLO c1ncn(CC[N@H+]2CCOCC23CC3)n1 ZINC000338598459 386070241 /nfs/dbraw/zinc/07/02/41/386070241.db2.gz MINXNMVINSCNAU-UHFFFAOYSA-N 1 2 208.265 0.143 20 0 BCADLO O=C(c1ccc[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366098906 386071924 /nfs/dbraw/zinc/07/19/24/386071924.db2.gz XLSPIAIWQDBQDJ-NSHDSACASA-N 1 2 249.314 0.561 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338630401 386076690 /nfs/dbraw/zinc/07/66/90/386076690.db2.gz JCLZQPNLGXLKTA-WCBMZHEXSA-N 1 2 219.256 0.344 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338630401 386076694 /nfs/dbraw/zinc/07/66/94/386076694.db2.gz JCLZQPNLGXLKTA-WCBMZHEXSA-N 1 2 219.256 0.344 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)s1 ZINC000367452388 386076953 /nfs/dbraw/zinc/07/69/53/386076953.db2.gz UKORXDNWUPOMFA-NTSWFWBYSA-N 1 2 233.268 0.148 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)s1 ZINC000367452388 386076957 /nfs/dbraw/zinc/07/69/57/386076957.db2.gz UKORXDNWUPOMFA-NTSWFWBYSA-N 1 2 233.268 0.148 20 0 BCADLO C[N@H+](CCCO)Cc1nc(C(F)F)no1 ZINC000425445704 386080124 /nfs/dbraw/zinc/08/01/24/386080124.db2.gz PJFGHHONWMYBAO-UHFFFAOYSA-N 1 2 221.207 0.821 20 0 BCADLO C[N@@H+](CCCO)Cc1nc(C(F)F)no1 ZINC000425445704 386080131 /nfs/dbraw/zinc/08/01/31/386080131.db2.gz PJFGHHONWMYBAO-UHFFFAOYSA-N 1 2 221.207 0.821 20 0 BCADLO C[C@H](CF)NC(=O)NCCn1cc[nH+]c1 ZINC000286914469 386082881 /nfs/dbraw/zinc/08/28/81/386082881.db2.gz BAUBKMGLGHOMQW-MRVPVSSYSA-N 1 2 214.244 0.540 20 0 BCADLO CC[C@@H](F)C[N@H+](C)CC(=O)NCCCOC ZINC000440703479 386093294 /nfs/dbraw/zinc/09/32/94/386093294.db2.gz ICGMXDSYSBSNBV-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO CC[C@@H](F)C[N@@H+](C)CC(=O)NCCCOC ZINC000440703479 386093299 /nfs/dbraw/zinc/09/32/99/386093299.db2.gz ICGMXDSYSBSNBV-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cncc(F)c1 ZINC000274366645 386094197 /nfs/dbraw/zinc/09/41/97/386094197.db2.gz OZRLMXNRIQLLFD-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cncc(F)c1 ZINC000274366645 386094200 /nfs/dbraw/zinc/09/42/00/386094200.db2.gz OZRLMXNRIQLLFD-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO Cc1nc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)cs1 ZINC000296166228 386144864 /nfs/dbraw/zinc/14/48/64/386144864.db2.gz KSDNQTJBSGADGZ-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1nc(CC[N@H+]2CC(=O)N[C@@H](C)C2)cs1 ZINC000296166228 386144868 /nfs/dbraw/zinc/14/48/68/386144868.db2.gz KSDNQTJBSGADGZ-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190088185 386147236 /nfs/dbraw/zinc/14/72/36/386147236.db2.gz AQHBNGAMRWEPED-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190088185 386147239 /nfs/dbraw/zinc/14/72/39/386147239.db2.gz AQHBNGAMRWEPED-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000334472196 386150487 /nfs/dbraw/zinc/15/04/87/386150487.db2.gz KFDBGIKIQRFJEE-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000334472196 386150491 /nfs/dbraw/zinc/15/04/91/386150491.db2.gz KFDBGIKIQRFJEE-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287863737 386151391 /nfs/dbraw/zinc/15/13/91/386151391.db2.gz DXTXLBRTODUBFX-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287863736 386151767 /nfs/dbraw/zinc/15/17/67/386151767.db2.gz DXTXLBRTODUBFX-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO Cc1cncc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296261788 386155838 /nfs/dbraw/zinc/15/58/38/386155838.db2.gz PXBIQIYHWIHNJS-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296261788 386155843 /nfs/dbraw/zinc/15/58/43/386155843.db2.gz PXBIQIYHWIHNJS-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO CCONC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366164981 386159221 /nfs/dbraw/zinc/15/92/21/386159221.db2.gz XPIBULCJBBOFIZ-JTQLQIEISA-N 1 2 243.307 0.100 20 0 BCADLO CCONC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366164981 386159225 /nfs/dbraw/zinc/15/92/25/386159225.db2.gz XPIBULCJBBOFIZ-JTQLQIEISA-N 1 2 243.307 0.100 20 0 BCADLO Cc1occc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000414367293 386161511 /nfs/dbraw/zinc/16/15/11/386161511.db2.gz DVCGAQRZZSAVSC-UHFFFAOYSA-N 1 2 237.303 0.191 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccco2)CCN1CCO ZINC000190242939 386164221 /nfs/dbraw/zinc/16/42/21/386164221.db2.gz ZPPCDZNWYNRKIT-NSHDSACASA-N 1 2 224.304 0.778 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccco2)CCN1CCO ZINC000190242939 386164226 /nfs/dbraw/zinc/16/42/26/386164226.db2.gz ZPPCDZNWYNRKIT-NSHDSACASA-N 1 2 224.304 0.778 20 0 BCADLO Cc1nc(NCCc2ccn(C)n2)nc(N)[nH+]1 ZINC000310216666 386164760 /nfs/dbraw/zinc/16/47/60/386164760.db2.gz FZLWFVYAFUOGPH-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO Cc1nc(N)nc(NCCc2ccn(C)n2)[nH+]1 ZINC000310216666 386164765 /nfs/dbraw/zinc/16/47/65/386164765.db2.gz FZLWFVYAFUOGPH-UHFFFAOYSA-N 1 2 233.279 0.150 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCOC1 ZINC000263904757 386191044 /nfs/dbraw/zinc/19/10/44/386191044.db2.gz HDJPJVOBFSAAGW-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccncn1 ZINC000275103229 386179959 /nfs/dbraw/zinc/17/99/59/386179959.db2.gz FPNHRXOXWARUCL-VIFPVBQESA-N 1 2 231.259 0.492 20 0 BCADLO CCc1nnc(C[N@H+](CCO)CCCOC)o1 ZINC000189921144 386131162 /nfs/dbraw/zinc/13/11/62/386131162.db2.gz IOFFTNBMGPZKDN-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)CCCOC)o1 ZINC000189921144 386131163 /nfs/dbraw/zinc/13/11/63/386131163.db2.gz IOFFTNBMGPZKDN-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC(=O)N(C)C ZINC000335131667 386131445 /nfs/dbraw/zinc/13/14/45/386131445.db2.gz KJXBBFWCNZLSCA-VHSXEESVSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC(=O)N(C)C ZINC000335131667 386131451 /nfs/dbraw/zinc/13/14/51/386131451.db2.gz KJXBBFWCNZLSCA-VHSXEESVSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCO1 ZINC000130031613 386133342 /nfs/dbraw/zinc/13/33/42/386133342.db2.gz QRAIMMMULKXBAP-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO CO[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000224322222 386134146 /nfs/dbraw/zinc/13/41/46/386134146.db2.gz PHZXWYFUFLWTKL-ZETCQYMHSA-N 1 2 221.264 0.810 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000345865248 386135543 /nfs/dbraw/zinc/13/55/43/386135543.db2.gz ZLHQSPOQOHZUBK-GHMZBOCLSA-N 1 2 236.319 0.722 20 0 BCADLO CCN(c1[nH+]cnc2c1cnn2C)[C@H](C)CO ZINC000338794981 386142707 /nfs/dbraw/zinc/14/27/07/386142707.db2.gz NBTUQYPROPIOPQ-MRVPVSSYSA-N 1 2 235.291 0.570 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)CCC2CC2)C[NH2+]1 ZINC000366151544 386144088 /nfs/dbraw/zinc/14/40/88/386144088.db2.gz LOXALUSOTLPWEI-VHSXEESVSA-N 1 2 240.303 0.196 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)no1 ZINC000340281772 386201199 /nfs/dbraw/zinc/20/11/99/386201199.db2.gz IFWFDKPFVJIKOZ-ZJUUUORDSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)no1 ZINC000340281772 386201204 /nfs/dbraw/zinc/20/12/04/386201204.db2.gz IFWFDKPFVJIKOZ-ZJUUUORDSA-N 1 2 212.249 0.175 20 0 BCADLO O=C1CCCN1C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000340282277 386204583 /nfs/dbraw/zinc/20/45/83/386204583.db2.gz DFZUWCHKEIFSNE-UHFFFAOYSA-N 1 2 248.330 0.997 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000289079896 386259634 /nfs/dbraw/zinc/25/96/34/386259634.db2.gz KIQLCKURVLAZMM-JTQLQIEISA-N 1 2 236.319 0.568 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000289079896 386259637 /nfs/dbraw/zinc/25/96/37/386259637.db2.gz KIQLCKURVLAZMM-JTQLQIEISA-N 1 2 236.319 0.568 20 0 BCADLO Cc1nc(N(C)[C@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000408358595 386212658 /nfs/dbraw/zinc/21/26/58/386212658.db2.gz PLRYFEQXCVJSNB-VIFPVBQESA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@H]2CCOC2)[nH+]1 ZINC000408358595 386212663 /nfs/dbraw/zinc/21/26/63/386212663.db2.gz PLRYFEQXCVJSNB-VIFPVBQESA-N 1 2 237.307 0.471 20 0 BCADLO CC(C)[C@H](CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288543980 386213194 /nfs/dbraw/zinc/21/31/94/386213194.db2.gz VXROKQDUIULLEB-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131308411 386214094 /nfs/dbraw/zinc/21/40/94/386214094.db2.gz HMNBCBDPSFDCRZ-UHFFFAOYSA-N 1 2 243.351 0.439 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131308411 386214098 /nfs/dbraw/zinc/21/40/98/386214098.db2.gz HMNBCBDPSFDCRZ-UHFFFAOYSA-N 1 2 243.351 0.439 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2cnc(C)nc2)CC1 ZINC000339020960 386214918 /nfs/dbraw/zinc/21/49/18/386214918.db2.gz FCFGIGWEBMRAEB-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2cnc(C)nc2)CC1 ZINC000339020960 386214920 /nfs/dbraw/zinc/21/49/20/386214920.db2.gz FCFGIGWEBMRAEB-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC[N@H+](Cc1cnccc1OC)[C@@H]1CCNC1=O ZINC000347172130 386259959 /nfs/dbraw/zinc/25/99/59/386259959.db2.gz ABMINDQEWZDSNF-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cnccc1OC)[C@@H]1CCNC1=O ZINC000347172130 386259962 /nfs/dbraw/zinc/25/99/62/386259962.db2.gz ABMINDQEWZDSNF-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)C[C@@H]1OC ZINC000408360787 386222699 /nfs/dbraw/zinc/22/26/99/386222699.db2.gz ZBSZQCBJNKJNQK-UJNFCWOMSA-N 1 2 241.291 0.785 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)C[C@@H]1OC ZINC000408360787 386222704 /nfs/dbraw/zinc/22/27/04/386222704.db2.gz ZBSZQCBJNKJNQK-UJNFCWOMSA-N 1 2 241.291 0.785 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cocn1 ZINC000264275962 386223630 /nfs/dbraw/zinc/22/36/30/386223630.db2.gz SZJBLLJGFSYMMV-MRVPVSSYSA-N 1 2 220.232 0.690 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CC[C@H]1C ZINC000347038117 386225215 /nfs/dbraw/zinc/22/52/15/386225215.db2.gz IDWYVSQMCCCISD-KXUCPTDWSA-N 1 2 239.323 0.628 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)CC[C@H]1C ZINC000347038117 386225221 /nfs/dbraw/zinc/22/52/21/386225221.db2.gz IDWYVSQMCCCISD-KXUCPTDWSA-N 1 2 239.323 0.628 20 0 BCADLO O=S1CC[NH+](CCOC2CCC2)CC1 ZINC000347045858 386227825 /nfs/dbraw/zinc/22/78/25/386227825.db2.gz GOVJWXZATNFPGT-UHFFFAOYSA-N 1 2 217.334 0.620 20 0 BCADLO CCc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000339058981 386230118 /nfs/dbraw/zinc/23/01/18/386230118.db2.gz LRKRTHGOZPXCBI-GFCCVEGCSA-N 1 2 233.315 0.964 20 0 BCADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)nc1 ZINC000339058981 386230121 /nfs/dbraw/zinc/23/01/21/386230121.db2.gz LRKRTHGOZPXCBI-GFCCVEGCSA-N 1 2 233.315 0.964 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000132392152 386232549 /nfs/dbraw/zinc/23/25/49/386232549.db2.gz CWXDRNHGUOCSJE-VIFPVBQESA-N 1 2 203.282 0.546 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCC(=O)N1 ZINC000264397372 386234313 /nfs/dbraw/zinc/23/43/13/386234313.db2.gz NSVTYHGCUBOGLV-SECBINFHSA-N 1 2 248.286 0.365 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000275786705 386239081 /nfs/dbraw/zinc/23/90/81/386239081.db2.gz DAVKZCDVJGHAGE-KOLCDFICSA-N 1 2 226.276 0.910 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000275786705 386239085 /nfs/dbraw/zinc/23/90/85/386239085.db2.gz DAVKZCDVJGHAGE-KOLCDFICSA-N 1 2 226.276 0.910 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOC2(CCC2)C1 ZINC000647969824 386240966 /nfs/dbraw/zinc/24/09/66/386240966.db2.gz SZCIJBDKCBYMPI-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOC2(CCC2)C1 ZINC000647969824 386240967 /nfs/dbraw/zinc/24/09/67/386240967.db2.gz SZCIJBDKCBYMPI-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)C1CC1)C2 ZINC000366659939 386246194 /nfs/dbraw/zinc/24/61/94/386246194.db2.gz IRHMUZUVKIQNKY-UHFFFAOYSA-N 1 2 205.261 0.715 20 0 BCADLO CC(C)[C@@H](NS(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000288975393 386247242 /nfs/dbraw/zinc/24/72/42/386247242.db2.gz RCZLKCHQZWFNRB-SSDOTTSWSA-N 1 2 217.294 0.656 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336642944 386248774 /nfs/dbraw/zinc/24/87/74/386248774.db2.gz AGAREUCQRJOPHA-JTQLQIEISA-N 1 2 226.320 0.454 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336642944 386248782 /nfs/dbraw/zinc/24/87/82/386248782.db2.gz AGAREUCQRJOPHA-JTQLQIEISA-N 1 2 226.320 0.454 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)n1 ZINC000347102349 386250624 /nfs/dbraw/zinc/25/06/24/386250624.db2.gz KJTUBFKAAMIGLE-CMPLNLGQSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)n1 ZINC000347102349 386250629 /nfs/dbraw/zinc/25/06/29/386250629.db2.gz KJTUBFKAAMIGLE-CMPLNLGQSA-N 1 2 249.314 0.465 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccncc2C)C1 ZINC000297430317 386254976 /nfs/dbraw/zinc/25/49/76/386254976.db2.gz NFOSSFSNANOLCL-UHFFFAOYSA-N 1 2 219.288 0.710 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C)n1C ZINC000336647690 386258534 /nfs/dbraw/zinc/25/85/34/386258534.db2.gz NAZQGHLBQDDGQE-MRVPVSSYSA-N 1 2 212.297 0.590 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C)n1C ZINC000336647690 386258538 /nfs/dbraw/zinc/25/85/38/386258538.db2.gz NAZQGHLBQDDGQE-MRVPVSSYSA-N 1 2 212.297 0.590 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCn1cncn1)C(=O)OC ZINC000347192804 386258980 /nfs/dbraw/zinc/25/89/80/386258980.db2.gz IATJOMKANRYSNT-VHSXEESVSA-N 1 2 240.307 0.455 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c[nH+]1 ZINC000275228138 386194113 /nfs/dbraw/zinc/19/41/13/386194113.db2.gz ITRAOJZCQXVJCH-RKDXNWHRSA-N 1 2 223.276 0.607 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](O)C2(C)C)c[nH+]1 ZINC000275228136 386194723 /nfs/dbraw/zinc/19/47/23/386194723.db2.gz ITRAOJZCQXVJCH-IUCAKERBSA-N 1 2 223.276 0.607 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C ZINC000263958381 386197345 /nfs/dbraw/zinc/19/73/45/386197345.db2.gz PECGMKVNBFECLB-OPRDCNLKSA-N 1 2 222.292 0.979 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCOC2)c[nH+]1 ZINC000264890520 386281442 /nfs/dbraw/zinc/28/14/42/386281442.db2.gz VDOSFYCDQOJKKO-VIFPVBQESA-N 1 2 223.276 0.875 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2noc(C)n2)[C@@H]1C ZINC000347202088 386282364 /nfs/dbraw/zinc/28/23/64/386282364.db2.gz KAMPNUXXKWDEPH-APPZFPTMSA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2noc(C)n2)[C@@H]1C ZINC000347202088 386282368 /nfs/dbraw/zinc/28/23/68/386282368.db2.gz KAMPNUXXKWDEPH-APPZFPTMSA-N 1 2 239.275 0.761 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCN(C(=O)CC)C1 ZINC000425505501 386284808 /nfs/dbraw/zinc/28/48/08/386284808.db2.gz BKEOIUWYTRKQAD-LLVKDONJSA-N 1 2 244.335 0.286 20 0 BCADLO CCOCC[C@@H](O)C[N@H+]1CCN(C(=O)CC)C1 ZINC000425505501 386284814 /nfs/dbraw/zinc/28/48/14/386284814.db2.gz BKEOIUWYTRKQAD-LLVKDONJSA-N 1 2 244.335 0.286 20 0 BCADLO CCOCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425505266 386285280 /nfs/dbraw/zinc/28/52/80/386285280.db2.gz BGXAESFPTPRWOH-UHFFFAOYSA-N 1 2 200.282 0.535 20 0 BCADLO CCOCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425505266 386285283 /nfs/dbraw/zinc/28/52/83/386285283.db2.gz BGXAESFPTPRWOH-UHFFFAOYSA-N 1 2 200.282 0.535 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000336664255 386288143 /nfs/dbraw/zinc/28/81/43/386288143.db2.gz CVHHFUQFQDXRKG-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000336664255 386288159 /nfs/dbraw/zinc/28/81/59/386288159.db2.gz CVHHFUQFQDXRKG-QMMMGPOBSA-N 1 2 227.312 0.049 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)O)cn2c1 ZINC000276240059 386290996 /nfs/dbraw/zinc/29/09/96/386290996.db2.gz QAVXQZGUJULGRQ-VIFPVBQESA-N 1 2 233.271 0.640 20 0 BCADLO COC(=O)C[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000289381949 386293425 /nfs/dbraw/zinc/29/34/25/386293425.db2.gz MNLYLQDTQBLQQZ-QMMMGPOBSA-N 1 2 239.275 0.615 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000347292004 386294116 /nfs/dbraw/zinc/29/41/16/386294116.db2.gz UYAQMCHJDZAANO-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000347292004 386294121 /nfs/dbraw/zinc/29/41/21/386294121.db2.gz UYAQMCHJDZAANO-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C[C@@H](C)O)o1 ZINC000336668039 386297052 /nfs/dbraw/zinc/29/70/52/386297052.db2.gz DZQRLWVXWPDPMO-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C[C@@H](C)O)o1 ZINC000336668039 386297054 /nfs/dbraw/zinc/29/70/54/386297054.db2.gz DZQRLWVXWPDPMO-MRVPVSSYSA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCNC(=O)C1(C)C ZINC000289403416 386297592 /nfs/dbraw/zinc/29/75/92/386297592.db2.gz SFWFIUCIXMOITE-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCNC(=O)C1(C)C ZINC000289403416 386297601 /nfs/dbraw/zinc/29/76/01/386297601.db2.gz SFWFIUCIXMOITE-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2ncnn2C)C1 ZINC000336661050 386300269 /nfs/dbraw/zinc/30/02/69/386300269.db2.gz BFFLJDVDVHZBOC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000336661050 386300277 /nfs/dbraw/zinc/30/02/77/386300277.db2.gz BFFLJDVDVHZBOC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc[nH+]c1CN1CCOCC(F)(F)C1 ZINC000289421599 386301596 /nfs/dbraw/zinc/30/15/96/386301596.db2.gz MUBOUCLXRLHGCE-UHFFFAOYSA-N 1 2 231.246 0.888 20 0 BCADLO C[C@H](C(=O)NC1(C)CCC1)[NH+]1CCOCC1 ZINC000339211465 386303056 /nfs/dbraw/zinc/30/30/56/386303056.db2.gz DUAOKAYQODVMQJ-SNVBAGLBSA-N 1 2 226.320 0.766 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)C1 ZINC000334481418 386303141 /nfs/dbraw/zinc/30/31/41/386303141.db2.gz VJYUSAWXTSNLAU-WDEREUQCSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)C1 ZINC000334481418 386303144 /nfs/dbraw/zinc/30/31/44/386303144.db2.gz VJYUSAWXTSNLAU-WDEREUQCSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)C1CC(O)C1 ZINC000347256611 386308898 /nfs/dbraw/zinc/30/88/98/386308898.db2.gz WLJZIMZPIMKSJZ-UEJVZZJDSA-N 1 2 210.281 0.331 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)C1CC(O)C1 ZINC000347256611 386308900 /nfs/dbraw/zinc/30/89/00/386308900.db2.gz WLJZIMZPIMKSJZ-UEJVZZJDSA-N 1 2 210.281 0.331 20 0 BCADLO CCC(=O)N1CC[N@H+](CCOCCOC)C1 ZINC000425517736 386309831 /nfs/dbraw/zinc/30/98/31/386309831.db2.gz LUQPPEDIHPGONR-UHFFFAOYSA-N 1 2 230.308 0.161 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCOCCOC)C1 ZINC000425517736 386309838 /nfs/dbraw/zinc/30/98/38/386309838.db2.gz LUQPPEDIHPGONR-UHFFFAOYSA-N 1 2 230.308 0.161 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@H](C)O)[nH+]cn1 ZINC000298242538 386312009 /nfs/dbraw/zinc/31/20/09/386312009.db2.gz MAHNPBCISRRJOY-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@H](C)O)nc[nH+]1 ZINC000298242538 386312014 /nfs/dbraw/zinc/31/20/14/386312014.db2.gz MAHNPBCISRRJOY-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](C(=O)NCCn1cc[nH+]c1)n1cccn1 ZINC000298240576 386312111 /nfs/dbraw/zinc/31/21/11/386312111.db2.gz NGXYDUYNJVUPBN-SNVBAGLBSA-N 1 2 233.275 0.457 20 0 BCADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)n1cccn1 ZINC000298240574 386312353 /nfs/dbraw/zinc/31/23/53/386312353.db2.gz NGXYDUYNJVUPBN-JTQLQIEISA-N 1 2 233.275 0.457 20 0 BCADLO Cn1cc(C[N@H+](C)CCc2nccs2)nn1 ZINC000336669467 386312718 /nfs/dbraw/zinc/31/27/18/386312718.db2.gz SDXODCTYTLMYDG-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(C[N@@H+](C)CCc2nccs2)nn1 ZINC000336669467 386312722 /nfs/dbraw/zinc/31/27/22/386312722.db2.gz SDXODCTYTLMYDG-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO COCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347284067 386313095 /nfs/dbraw/zinc/31/30/95/386313095.db2.gz ACUBFODPUGLTLK-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO CC(C)(C)c1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)no1 ZINC000289478248 386313077 /nfs/dbraw/zinc/31/30/77/386313077.db2.gz IBJKGJFYPIQBCK-NXEZZACHSA-N 1 2 240.303 0.510 20 0 BCADLO CCN(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000289499742 386315987 /nfs/dbraw/zinc/31/59/87/386315987.db2.gz JUAKSRRGVXVSTP-UHFFFAOYSA-N 1 2 208.265 0.770 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CC(=O)N(C)C1 ZINC000334481734 386318477 /nfs/dbraw/zinc/31/84/77/386318477.db2.gz WXCFEYWHFHNUGQ-UHFFFAOYSA-N 1 2 222.292 0.696 20 0 BCADLO CNS(=O)(=O)CCC[N@H+](C)Cc1ccon1 ZINC000336671201 386318586 /nfs/dbraw/zinc/31/85/86/386318586.db2.gz JGSWEFBEEMXLDA-UHFFFAOYSA-N 1 2 247.320 0.046 20 0 BCADLO CNS(=O)(=O)CCC[N@@H+](C)Cc1ccon1 ZINC000336671201 386318591 /nfs/dbraw/zinc/31/85/91/386318591.db2.gz JGSWEFBEEMXLDA-UHFFFAOYSA-N 1 2 247.320 0.046 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CCCS(C)(=O)=O ZINC000336675242 386321375 /nfs/dbraw/zinc/32/13/75/386321375.db2.gz MIIYNVGELLAOMT-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CCCS(C)(=O)=O ZINC000336675242 386321380 /nfs/dbraw/zinc/32/13/80/386321380.db2.gz MIIYNVGELLAOMT-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(N(C)C)s1 ZINC000276435003 386321841 /nfs/dbraw/zinc/32/18/41/386321841.db2.gz ICSUYCBTZVTGFK-UHFFFAOYSA-N 1 2 242.348 0.516 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(N(C)C)s1 ZINC000276435003 386321846 /nfs/dbraw/zinc/32/18/46/386321846.db2.gz ICSUYCBTZVTGFK-UHFFFAOYSA-N 1 2 242.348 0.516 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000264675083 386261456 /nfs/dbraw/zinc/26/14/56/386261456.db2.gz BRCJYJWYDOCGNS-RKOMOGNESA-N 1 2 237.347 0.481 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000264675083 386261458 /nfs/dbraw/zinc/26/14/58/386261458.db2.gz BRCJYJWYDOCGNS-RKOMOGNESA-N 1 2 237.347 0.481 20 0 BCADLO Nc1[nH+]cnc(NCC(=O)NC2CC2)c1Cl ZINC000236390435 386261583 /nfs/dbraw/zinc/26/15/83/386261583.db2.gz UXPNARXKGNGMJK-UHFFFAOYSA-N 1 2 241.682 0.403 20 0 BCADLO Nc1nc[nH+]c(NCC(=O)NC2CC2)c1Cl ZINC000236390435 386261586 /nfs/dbraw/zinc/26/15/86/386261586.db2.gz UXPNARXKGNGMJK-UHFFFAOYSA-N 1 2 241.682 0.403 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000264676718 386261758 /nfs/dbraw/zinc/26/17/58/386261758.db2.gz KEDQXVLKKKFKEU-UHFFFAOYSA-N 1 2 248.330 0.886 20 0 BCADLO COc1ccncc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000347156800 386263608 /nfs/dbraw/zinc/26/36/08/386263608.db2.gz OHYDAKJKSIZQDO-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccncc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000347156800 386263611 /nfs/dbraw/zinc/26/36/11/386263611.db2.gz OHYDAKJKSIZQDO-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)C1(C)C ZINC000336168269 386270232 /nfs/dbraw/zinc/27/02/32/386270232.db2.gz YWFZOWKWVSXTMD-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCNC(=O)C1(C)C ZINC000336168269 386270237 /nfs/dbraw/zinc/27/02/37/386270237.db2.gz YWFZOWKWVSXTMD-MRVPVSSYSA-N 1 2 202.273 0.945 20 0 BCADLO COc1ncncc1C[N@H+](CCO)C1CC1 ZINC000648001761 386272746 /nfs/dbraw/zinc/27/27/46/386272746.db2.gz IDEAUJCTPUJIPS-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO COc1ncncc1C[N@@H+](CCO)C1CC1 ZINC000648001761 386272751 /nfs/dbraw/zinc/27/27/51/386272751.db2.gz IDEAUJCTPUJIPS-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO COC(OC)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000289221596 386274386 /nfs/dbraw/zinc/27/43/86/386274386.db2.gz ZGRAXAPJLSDTFI-ZCFIWIBFSA-N 1 2 227.264 0.455 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289676450 386341377 /nfs/dbraw/zinc/34/13/77/386341377.db2.gz ASCFIIRFAFNPAC-QWRGUYRKSA-N 1 2 237.303 1.000 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289676450 386341382 /nfs/dbraw/zinc/34/13/82/386341382.db2.gz ASCFIIRFAFNPAC-QWRGUYRKSA-N 1 2 237.303 1.000 20 0 BCADLO Cc1cnn(CCNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000276531223 386341972 /nfs/dbraw/zinc/34/19/72/386341972.db2.gz DWNZBUFJMLYCKP-NSCUHMNNSA-N 1 2 245.286 0.744 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000265480558 386342523 /nfs/dbraw/zinc/34/25/23/386342523.db2.gz SKXCJUVYAFJBSY-NWDGAFQWSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](O)C1 ZINC000265480558 386342528 /nfs/dbraw/zinc/34/25/28/386342528.db2.gz SKXCJUVYAFJBSY-NWDGAFQWSA-N 1 2 235.283 0.967 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339289553 386342553 /nfs/dbraw/zinc/34/25/53/386342553.db2.gz LKFCQYDLSJNSNL-XCBNKYQSSA-N 1 2 225.292 0.855 20 0 BCADLO COC(=O)C1([NH2+]CCn2cccn2)CCCC1 ZINC000133740824 386344324 /nfs/dbraw/zinc/34/43/24/386344324.db2.gz RKXZCGZCSKIHBK-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCNC(=O)C1CC1 ZINC000276592294 386348511 /nfs/dbraw/zinc/34/85/11/386348511.db2.gz NFQRKFKHNPJLRF-ONEGZZNKSA-N 1 2 248.286 0.065 20 0 BCADLO C[C@@H](O)CN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298811985 386386450 /nfs/dbraw/zinc/38/64/50/386386450.db2.gz FYPZZJXSJFAVSU-DTWKUNHWSA-N 1 2 240.307 0.086 20 0 BCADLO C[C@@H](O)CN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298811985 386386453 /nfs/dbraw/zinc/38/64/53/386386453.db2.gz FYPZZJXSJFAVSU-DTWKUNHWSA-N 1 2 240.307 0.086 20 0 BCADLO Cn1cnc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000289738542 386350249 /nfs/dbraw/zinc/35/02/49/386350249.db2.gz JKXPGFAPZNWYLP-UHFFFAOYSA-N 1 2 246.274 0.052 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000265623025 386353248 /nfs/dbraw/zinc/35/32/48/386353248.db2.gz BTROTWYIOIXRJK-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000265623025 386353252 /nfs/dbraw/zinc/35/32/52/386353252.db2.gz BTROTWYIOIXRJK-STQMWFEESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cccn1 ZINC000298482124 386353398 /nfs/dbraw/zinc/35/33/98/386353398.db2.gz UFSCSBNSIXDBNW-SNVBAGLBSA-N 1 2 233.275 0.285 20 0 BCADLO CC[C@@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000265665294 386357086 /nfs/dbraw/zinc/35/70/86/386357086.db2.gz CCKGNBFWBKDNOZ-QMMMGPOBSA-N 1 2 211.265 0.873 20 0 BCADLO C[C@H](CCO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265691551 386359606 /nfs/dbraw/zinc/35/96/06/386359606.db2.gz FRWGERDPASSGFT-ZJUUUORDSA-N 1 2 240.307 0.342 20 0 BCADLO O=[S@]1CC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000334447528 386359858 /nfs/dbraw/zinc/35/98/58/386359858.db2.gz QHFROWQNHUTYLX-PWJLMRLQSA-N 1 2 235.312 0.918 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289845962 386362809 /nfs/dbraw/zinc/36/28/09/386362809.db2.gz KLEJGQCKVVCFDP-CBAPKCEASA-N 1 2 242.710 0.657 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289845962 386362818 /nfs/dbraw/zinc/36/28/18/386362818.db2.gz KLEJGQCKVVCFDP-CBAPKCEASA-N 1 2 242.710 0.657 20 0 BCADLO C[C@@H](CNC(=O)c1ccn[nH]1)Cn1cc[nH+]c1 ZINC000265752122 386365679 /nfs/dbraw/zinc/36/56/79/386365679.db2.gz JJWHRBUPMHLMIL-VIFPVBQESA-N 1 2 233.275 0.672 20 0 BCADLO C[C@@H](CNC(=O)c1ccon1)Cn1cc[nH+]c1 ZINC000265750750 386365716 /nfs/dbraw/zinc/36/57/16/386365716.db2.gz JHVBWOPEFIQEJF-VIFPVBQESA-N 1 2 234.259 0.937 20 0 BCADLO C[C@@H](CNC(=O)CC1CC1)[NH+]1CCN(C)CC1 ZINC000339326004 386368227 /nfs/dbraw/zinc/36/82/27/386368227.db2.gz VVXMIMPKRZUYEE-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO CO[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265787220 386370043 /nfs/dbraw/zinc/37/00/43/386370043.db2.gz SSBBFXBJSMUPEF-NXEZZACHSA-N 1 2 225.292 0.670 20 0 BCADLO CC[C@@H](COC)NC(=O)NCc1[nH+]ccn1C ZINC000265811713 386372296 /nfs/dbraw/zinc/37/22/96/386372296.db2.gz PYGSILODUGYVTM-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1F ZINC000339363579 386387381 /nfs/dbraw/zinc/38/73/81/386387381.db2.gz TXMWVKFTGMGIAR-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1F ZINC000339363579 386387385 /nfs/dbraw/zinc/38/73/85/386387385.db2.gz TXMWVKFTGMGIAR-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000276807344 386376880 /nfs/dbraw/zinc/37/68/80/386376880.db2.gz NMDMZFREXGZLNV-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000276807344 386376889 /nfs/dbraw/zinc/37/68/89/386376889.db2.gz NMDMZFREXGZLNV-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1CCOC1)Cn1cc[nH+]c1 ZINC000265843360 386377888 /nfs/dbraw/zinc/37/78/88/386377888.db2.gz SJYLOUFTSLDPQN-QWRGUYRKSA-N 1 2 237.303 0.672 20 0 BCADLO COC[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000265859468 386377972 /nfs/dbraw/zinc/37/79/72/386377972.db2.gz WXOLLKZAYVNIKL-VIFPVBQESA-N 1 2 247.302 0.836 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390320 386378565 /nfs/dbraw/zinc/37/85/65/386378565.db2.gz SFVSLGUTZNGKHP-SNVBAGLBSA-N 1 2 202.273 0.947 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347390320 386378573 /nfs/dbraw/zinc/37/85/73/386378573.db2.gz SFVSLGUTZNGKHP-SNVBAGLBSA-N 1 2 202.273 0.947 20 0 BCADLO CC[C@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000336696340 386378823 /nfs/dbraw/zinc/37/88/23/386378823.db2.gz LGDWMNRDVKINTB-SNVBAGLBSA-N 1 2 209.297 0.832 20 0 BCADLO CC[C@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336696340 386378829 /nfs/dbraw/zinc/37/88/29/386378829.db2.gz LGDWMNRDVKINTB-SNVBAGLBSA-N 1 2 209.297 0.832 20 0 BCADLO C[N@H+](CC(N)=O)[C@@H]1CCc2ccccc2NC1=O ZINC000276818138 386380783 /nfs/dbraw/zinc/38/07/83/386380783.db2.gz PAKBHYDTQWIAAC-LLVKDONJSA-N 1 2 247.298 0.357 20 0 BCADLO C[N@@H+](CC(N)=O)[C@@H]1CCc2ccccc2NC1=O ZINC000276818138 386380787 /nfs/dbraw/zinc/38/07/87/386380787.db2.gz PAKBHYDTQWIAAC-LLVKDONJSA-N 1 2 247.298 0.357 20 0 BCADLO CC(C)COCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336697445 386381789 /nfs/dbraw/zinc/38/17/89/386381789.db2.gz STHFDWSAJQMIFU-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)COCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336697445 386381795 /nfs/dbraw/zinc/38/17/95/386381795.db2.gz STHFDWSAJQMIFU-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCNC(C)=O)C1 ZINC000425523504 386325597 /nfs/dbraw/zinc/32/55/97/386325597.db2.gz ZAMAZBFROVIMHF-UHFFFAOYSA-N 1 2 227.308 0.024 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCNC(C)=O)C1 ZINC000425523504 386325602 /nfs/dbraw/zinc/32/56/02/386325602.db2.gz ZAMAZBFROVIMHF-UHFFFAOYSA-N 1 2 227.308 0.024 20 0 BCADLO C[C@H](O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000276490172 386332490 /nfs/dbraw/zinc/33/24/90/386332490.db2.gz HQDVSDHTBDXQKL-QMMMGPOBSA-N 1 2 219.244 0.331 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347337299 386333693 /nfs/dbraw/zinc/33/36/93/386333693.db2.gz AUAFHPMKJNHCRG-PWSUYJOCSA-N 1 2 245.294 0.734 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347337299 386333703 /nfs/dbraw/zinc/33/37/03/386333703.db2.gz AUAFHPMKJNHCRG-PWSUYJOCSA-N 1 2 245.294 0.734 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1c[nH]nc1C1CC1 ZINC000276500512 386334609 /nfs/dbraw/zinc/33/46/09/386334609.db2.gz XBKBAHGPCLMRCO-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CCC1(O)CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000336684322 386334927 /nfs/dbraw/zinc/33/49/27/386334927.db2.gz FANDJPHJERDBHF-UHFFFAOYSA-N 1 2 238.335 0.860 20 0 BCADLO CC[C@H](C)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647933234 386335096 /nfs/dbraw/zinc/33/50/96/386335096.db2.gz GXWAPWQGNUIBJJ-VIFPVBQESA-N 1 2 236.319 0.683 20 0 BCADLO C[N@H+](Cc1ccns1)[C@@H]1CCCNC1=O ZINC000639088408 386386139 /nfs/dbraw/zinc/38/61/39/386386139.db2.gz GHQVSZSSOIYFTK-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@@H]1CCCNC1=O ZINC000639088408 386386144 /nfs/dbraw/zinc/38/61/44/386386144.db2.gz GHQVSZSSOIYFTK-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC000276508498 386336023 /nfs/dbraw/zinc/33/60/23/386336023.db2.gz IOSNAAMKTFEUBW-HMDXOVGESA-N 1 2 221.260 0.718 20 0 BCADLO Cc1nonc1C(=O)NCCCn1cc[nH+]c1 ZINC000265402940 386336889 /nfs/dbraw/zinc/33/68/89/386336889.db2.gz JDNYXXYRSYCJHP-UHFFFAOYSA-N 1 2 235.247 0.395 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000276511463 386337430 /nfs/dbraw/zinc/33/74/30/386337430.db2.gz BHDWBBAJOCSHKS-PZIAFJOJSA-N 1 2 235.287 0.843 20 0 BCADLO Cc1cnc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000336712156 386437779 /nfs/dbraw/zinc/43/77/79/386437779.db2.gz ROEXKXJFUURLJF-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1ncnn1CCF ZINC000347484426 386438549 /nfs/dbraw/zinc/43/85/49/386438549.db2.gz WAOXSVJUAULGDG-JTQLQIEISA-N 1 2 244.314 0.840 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1ncnn1CCF ZINC000347484426 386438553 /nfs/dbraw/zinc/43/85/53/386438553.db2.gz WAOXSVJUAULGDG-JTQLQIEISA-N 1 2 244.314 0.840 20 0 BCADLO Cc1ncncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299313341 386440366 /nfs/dbraw/zinc/44/03/66/386440366.db2.gz CCUBVOVNYFKMFK-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO Cn1cncc1C(=O)NCCCn1cc[nH+]c1 ZINC000277513130 386443246 /nfs/dbraw/zinc/44/32/46/386443246.db2.gz QGISVYMBTRBQHV-UHFFFAOYSA-N 1 2 233.275 0.437 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347551286 386449742 /nfs/dbraw/zinc/44/97/42/386449742.db2.gz HCZUDYDGCNTWIK-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1O ZINC000347551286 386449749 /nfs/dbraw/zinc/44/97/49/386449749.db2.gz HCZUDYDGCNTWIK-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO c1nnsc1CN1CC[NH+](C2CC2)CC1 ZINC000336719888 386450000 /nfs/dbraw/zinc/45/00/00/386450000.db2.gz ZNBNRRTUEBEXSX-UHFFFAOYSA-N 1 2 224.333 0.818 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336703851 386389044 /nfs/dbraw/zinc/38/90/44/386389044.db2.gz OUJSIHKHRXWNBH-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336703851 386389047 /nfs/dbraw/zinc/38/90/47/386389047.db2.gz OUJSIHKHRXWNBH-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO O=C1[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC1 ZINC000336720079 386451261 /nfs/dbraw/zinc/45/12/61/386451261.db2.gz XZDGBVVPNBHIRW-GRYCIOLGSA-N 1 2 236.315 0.613 20 0 BCADLO O=C1[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC1 ZINC000336720079 386451264 /nfs/dbraw/zinc/45/12/64/386451264.db2.gz XZDGBVVPNBHIRW-GRYCIOLGSA-N 1 2 236.315 0.613 20 0 BCADLO CC[C@H](O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298894786 386398225 /nfs/dbraw/zinc/39/82/25/386398225.db2.gz MRJGAPBDXJEDNO-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@H](O)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298894786 386398232 /nfs/dbraw/zinc/39/82/32/386398232.db2.gz MRJGAPBDXJEDNO-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CCc1n[nH]cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298972672 386402769 /nfs/dbraw/zinc/40/27/69/386402769.db2.gz GNLXIRXGNISQEM-VIFPVBQESA-N 1 2 247.302 0.987 20 0 BCADLO CN(Cc1c[nH+]cn1C)Cc1nccn1C ZINC000336701864 386404345 /nfs/dbraw/zinc/40/43/45/386404345.db2.gz MBWQCIZVLMHOGQ-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@H]1CCCCO1 ZINC000347448155 386406547 /nfs/dbraw/zinc/40/65/47/386406547.db2.gz WCBMNFUUVRWBNU-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@H]1CCCCO1 ZINC000347448155 386406552 /nfs/dbraw/zinc/40/65/52/386406552.db2.gz WCBMNFUUVRWBNU-SNVBAGLBSA-N 1 2 239.323 0.601 20 0 BCADLO CCCCN1CC(=O)N[C@H]1c1c[nH]c[nH+]1 ZINC000266176151 386408611 /nfs/dbraw/zinc/40/86/11/386408611.db2.gz ARHPGPRDNKWFHY-SNVBAGLBSA-N 1 2 208.265 0.640 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1cncnc1OC ZINC000648038591 386451668 /nfs/dbraw/zinc/45/16/68/386451668.db2.gz BOSZWMZPLIVQEQ-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1cncnc1OC ZINC000648038591 386451674 /nfs/dbraw/zinc/45/16/74/386451674.db2.gz BOSZWMZPLIVQEQ-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO C[N@H+](CCN1CCNC1=O)Cc1cscn1 ZINC000290254571 386412897 /nfs/dbraw/zinc/41/28/97/386412897.db2.gz KBRMHLGLDMQRDK-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO C[N@@H+](CCN1CCNC1=O)Cc1cscn1 ZINC000290254571 386412904 /nfs/dbraw/zinc/41/29/04/386412904.db2.gz KBRMHLGLDMQRDK-UHFFFAOYSA-N 1 2 240.332 0.600 20 0 BCADLO CCN(CCOC)C(=O)NCCn1cc[nH+]c1 ZINC000299118807 386414648 /nfs/dbraw/zinc/41/46/48/386414648.db2.gz CAUDEQGRTYHDCX-UHFFFAOYSA-N 1 2 240.307 0.561 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H]1OC ZINC000277258431 386421167 /nfs/dbraw/zinc/42/11/67/386421167.db2.gz ORBZSMYOMLNIAO-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H]1OC ZINC000277258431 386421177 /nfs/dbraw/zinc/42/11/77/386421177.db2.gz ORBZSMYOMLNIAO-AOOOYVTPSA-N 1 2 211.265 0.255 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347514707 386427262 /nfs/dbraw/zinc/42/72/62/386427262.db2.gz OAORTYQQADUCRU-BDAKNGLRSA-N 1 2 223.276 0.793 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1CCO ZINC000310618786 386428127 /nfs/dbraw/zinc/42/81/27/386428127.db2.gz GEHRPHOLCLONQB-SECBINFHSA-N 1 2 247.302 0.715 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000299247645 386431604 /nfs/dbraw/zinc/43/16/04/386431604.db2.gz NSVTYHGCUBOGLV-VIFPVBQESA-N 1 2 248.286 0.365 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1CCOC(C)C ZINC000347472366 386432252 /nfs/dbraw/zinc/43/22/52/386432252.db2.gz XRKKLDNDFLRKDH-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1CCOC(C)C ZINC000347472366 386432256 /nfs/dbraw/zinc/43/22/56/386432256.db2.gz XRKKLDNDFLRKDH-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CCCCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000058754437 386467423 /nfs/dbraw/zinc/46/74/23/386467423.db2.gz SQLZLHQXYMRGGA-UHFFFAOYSA-N 1 2 249.380 0.211 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCO1 ZINC000299568708 386467817 /nfs/dbraw/zinc/46/78/17/386467817.db2.gz BEGIELDAGDSZLQ-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@@H](Cn1ccnc1)NC(=O)CCn1cc[nH+]c1 ZINC000299647969 386478575 /nfs/dbraw/zinc/47/85/75/386478575.db2.gz KCNXVNXZVIEPFJ-NSHDSACASA-N 1 2 247.302 0.675 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1ccnc1 ZINC000299647969 386478583 /nfs/dbraw/zinc/47/85/83/386478583.db2.gz KCNXVNXZVIEPFJ-NSHDSACASA-N 1 2 247.302 0.675 20 0 BCADLO CCC(CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191961349 386479713 /nfs/dbraw/zinc/47/97/13/386479713.db2.gz YJJZRWLQRUWWPF-APPZFPTMSA-N 1 2 203.282 0.687 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCNC(=O)[C@H]2C)n1 ZINC000335428345 386482036 /nfs/dbraw/zinc/48/20/36/386482036.db2.gz DLFYMBCCEDVUMA-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cccc(CC[N@H+]2CCNC(=O)[C@H]2C)n1 ZINC000335428345 386482038 /nfs/dbraw/zinc/48/20/38/386482038.db2.gz DLFYMBCCEDVUMA-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC(F)(F)C1 ZINC000335429408 386484452 /nfs/dbraw/zinc/48/44/52/386484452.db2.gz GNUCOTSSSNCKFJ-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC(F)(F)C1 ZINC000335429408 386484457 /nfs/dbraw/zinc/48/44/57/386484457.db2.gz GNUCOTSSSNCKFJ-SECBINFHSA-N 1 2 248.273 0.621 20 0 BCADLO COCC1(C)C[NH+](Cc2cncnc2OC)C1 ZINC000648042900 386486461 /nfs/dbraw/zinc/48/64/61/386486461.db2.gz ZUEYWQRYJCIAPM-UHFFFAOYSA-N 1 2 237.303 0.954 20 0 BCADLO CS[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290940066 386488210 /nfs/dbraw/zinc/48/82/10/386488210.db2.gz OJOZWKDHUBMWDS-MRVPVSSYSA-N 1 2 225.317 0.977 20 0 BCADLO O=S1(=O)CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000068940501 386489934 /nfs/dbraw/zinc/48/99/34/386489934.db2.gz AFRULZQHSDBCMT-QMMMGPOBSA-N 1 2 246.357 0.810 20 0 BCADLO C[C@@H](C(=O)N(C)c1nncs1)[NH+]1CC(C)C1 ZINC000519559603 386494402 /nfs/dbraw/zinc/49/44/02/386494402.db2.gz USTQURZPKRFCCQ-QMMMGPOBSA-N 1 2 240.332 0.841 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCO ZINC000267183628 386507030 /nfs/dbraw/zinc/50/70/30/386507030.db2.gz ZQDRVLBPEYMIAU-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCO ZINC000267183628 386507036 /nfs/dbraw/zinc/50/70/36/386507036.db2.gz ZQDRVLBPEYMIAU-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO C[C@@H](CNC(=O)Cn1cccn1)Cn1cc[nH+]c1 ZINC000267211287 386512075 /nfs/dbraw/zinc/51/20/75/386512075.db2.gz ZBJPDNYQCDLDFH-NSHDSACASA-N 1 2 247.302 0.532 20 0 BCADLO C[NH+](C)CC(=O)Nc1cccc([S@](C)=O)c1 ZINC000267210866 386513036 /nfs/dbraw/zinc/51/30/36/386513036.db2.gz RXENMXVQUPROPR-INIZCTEOSA-N 1 2 240.328 0.924 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)CC[S@](C)=O)c[nH+]1 ZINC000267232110 386515732 /nfs/dbraw/zinc/51/57/32/386515732.db2.gz PPAURSNMBSINMT-QZTNRIJFSA-N 1 2 243.332 0.605 20 0 BCADLO Cn1ncc2c1nc(NCC1(C)COC1)[nH+]c2N ZINC000278383900 386517034 /nfs/dbraw/zinc/51/70/34/386517034.db2.gz LSHFTQBHYLFMHU-UHFFFAOYSA-N 1 2 248.290 0.394 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+]1CCNC(=O)CC1 ZINC000278376746 386518616 /nfs/dbraw/zinc/51/86/16/386518616.db2.gz CIGAQDDSYLLOJJ-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1nc(F)ccc1C[N@H+]1CCNC(=O)CC1 ZINC000278376746 386518622 /nfs/dbraw/zinc/51/86/22/386518622.db2.gz CIGAQDDSYLLOJJ-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC000267275035 386523021 /nfs/dbraw/zinc/52/30/21/386523021.db2.gz AZOFHOSYBKROLW-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO Cc1cccc(CC[N@H+]2CCN(C)C(=O)C2)n1 ZINC000335451785 386524580 /nfs/dbraw/zinc/52/45/80/386524580.db2.gz GJLYJVHCKLNBOC-UHFFFAOYSA-N 1 2 233.315 0.707 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCN(C)C(=O)C2)n1 ZINC000335451785 386524585 /nfs/dbraw/zinc/52/45/85/386524585.db2.gz GJLYJVHCKLNBOC-UHFFFAOYSA-N 1 2 233.315 0.707 20 0 BCADLO CCCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339706116 386525444 /nfs/dbraw/zinc/52/54/44/386525444.db2.gz LFLLJKQPGHAOPB-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cnccn1 ZINC000299455697 386455077 /nfs/dbraw/zinc/45/50/77/386455077.db2.gz VWZWOWUIOVXFGI-UHFFFAOYSA-N 1 2 203.249 0.847 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](C)O ZINC000291254759 386527997 /nfs/dbraw/zinc/52/79/97/386527997.db2.gz BEPALIUFYBLGAU-ZJUUUORDSA-N 1 2 240.307 0.294 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336724185 386457738 /nfs/dbraw/zinc/45/77/38/386457738.db2.gz JCZWEQGMVGGJNL-VIFPVBQESA-N 1 2 239.323 0.600 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336724185 386457741 /nfs/dbraw/zinc/45/77/41/386457741.db2.gz JCZWEQGMVGGJNL-VIFPVBQESA-N 1 2 239.323 0.600 20 0 BCADLO CS(=O)(=O)C1C[NH+](CC2CCSCC2)C1 ZINC000639245150 386459942 /nfs/dbraw/zinc/45/99/42/386459942.db2.gz VDXPYYJPLKQVTC-UHFFFAOYSA-N 1 2 249.401 0.858 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccnn1C ZINC000123906919 386574197 /nfs/dbraw/zinc/57/41/97/386574197.db2.gz BSZOOSSNTJYEQP-UHFFFAOYSA-N 1 2 233.275 0.426 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000267905261 386598092 /nfs/dbraw/zinc/59/80/92/386598092.db2.gz AOUYPGDLOVOFRA-SCZZXKLOSA-N 1 2 223.276 0.609 20 0 BCADLO COC[C@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000228454683 386576450 /nfs/dbraw/zinc/57/64/50/386576450.db2.gz YCKXKPWGLOMRAR-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000228454683 386576457 /nfs/dbraw/zinc/57/64/57/386576457.db2.gz YCKXKPWGLOMRAR-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408424942 386576709 /nfs/dbraw/zinc/57/67/09/386576709.db2.gz YQBGSHNQIFHAOX-RKDXNWHRSA-N 1 2 238.328 0.487 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408424942 386576714 /nfs/dbraw/zinc/57/67/14/386576714.db2.gz YQBGSHNQIFHAOX-RKDXNWHRSA-N 1 2 238.328 0.487 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000062253888 386576856 /nfs/dbraw/zinc/57/68/56/386576856.db2.gz NEYBIWBOMGPVCC-MRVPVSSYSA-N 1 2 211.265 0.413 20 0 BCADLO C[N@H+](CCCN1C(=O)CNC1=O)CC(F)F ZINC000103487633 386576927 /nfs/dbraw/zinc/57/69/27/386576927.db2.gz QIWLEJDUGQJTIT-UHFFFAOYSA-N 1 2 235.234 0.125 20 0 BCADLO C[N@@H+](CCCN1C(=O)CNC1=O)CC(F)F ZINC000103487633 386576932 /nfs/dbraw/zinc/57/69/32/386576932.db2.gz QIWLEJDUGQJTIT-UHFFFAOYSA-N 1 2 235.234 0.125 20 0 BCADLO COC[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000103430033 386578414 /nfs/dbraw/zinc/57/84/14/386578414.db2.gz DZBMLVGQAJVICQ-QWRGUYRKSA-N 1 2 244.335 0.106 20 0 BCADLO Cn1cc(C[N@H+](C)CCCS(C)(=O)=O)cn1 ZINC000103139027 386578799 /nfs/dbraw/zinc/57/87/99/386578799.db2.gz RLHXAMMJIOMMTR-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO Cn1cc(C[N@@H+](C)CCCS(C)(=O)=O)cn1 ZINC000103139027 386578806 /nfs/dbraw/zinc/57/88/06/386578806.db2.gz RLHXAMMJIOMMTR-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000267736329 386578739 /nfs/dbraw/zinc/57/87/39/386578739.db2.gz NFYFDANKWUBECS-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO CC[C@]1(C)C[N@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000408430406 386583127 /nfs/dbraw/zinc/58/31/27/386583127.db2.gz SXOFEIBGECLMSV-LLVKDONJSA-N 1 2 240.307 0.109 20 0 BCADLO CC[C@]1(C)C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000408430406 386583130 /nfs/dbraw/zinc/58/31/30/386583130.db2.gz SXOFEIBGECLMSV-LLVKDONJSA-N 1 2 240.307 0.109 20 0 BCADLO CC[C@H](CNC(=O)CCc1c[nH+]cn1C)OC ZINC000291823594 386588344 /nfs/dbraw/zinc/58/83/44/386588344.db2.gz BMLOEJBRDMEXAY-LLVKDONJSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000329047098 386598913 /nfs/dbraw/zinc/59/89/13/386598913.db2.gz GBFFCPBVHRJFNM-JTQLQIEISA-N 1 2 236.275 0.397 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000329047098 386598922 /nfs/dbraw/zinc/59/89/22/386598922.db2.gz GBFFCPBVHRJFNM-JTQLQIEISA-N 1 2 236.275 0.397 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C(=O)C(C)(C)C ZINC000267884417 386595593 /nfs/dbraw/zinc/59/55/93/386595593.db2.gz QDXYXSQOALBVJN-UHFFFAOYSA-N 1 2 223.276 0.950 20 0 BCADLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C(N)=O ZINC000291292014 386533536 /nfs/dbraw/zinc/53/35/36/386533536.db2.gz JQTIOMAUEWEIST-SECBINFHSA-N 1 2 236.275 0.775 20 0 BCADLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000101733725 386537548 /nfs/dbraw/zinc/53/75/48/386537548.db2.gz UHZLZTIKOLXGAM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000101733725 386537550 /nfs/dbraw/zinc/53/75/50/386537550.db2.gz UHZLZTIKOLXGAM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)C2CCCC2)c[nH+]1 ZINC000291378019 386540742 /nfs/dbraw/zinc/54/07/42/386540742.db2.gz WQHPBYOBDXIFSP-LLVKDONJSA-N 1 2 237.303 0.999 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000291403308 386542131 /nfs/dbraw/zinc/54/21/31/386542131.db2.gz HDRLWGYGFDBLLX-LURJTMIESA-N 1 2 221.182 0.950 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cn(C)nc2C)C1 ZINC000291398344 386542469 /nfs/dbraw/zinc/54/24/69/386542469.db2.gz DNIHYRJRRHXQDO-UHFFFAOYSA-N 1 2 222.292 0.049 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187383265 386543717 /nfs/dbraw/zinc/54/37/17/386543717.db2.gz MIZRNBCQFCSOSJ-VHSXEESVSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187383265 386543722 /nfs/dbraw/zinc/54/37/22/386543722.db2.gz MIZRNBCQFCSOSJ-VHSXEESVSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187383290 386546224 /nfs/dbraw/zinc/54/62/24/386546224.db2.gz MIZRNBCQFCSOSJ-NXEZZACHSA-N 1 2 241.335 0.098 20 0 BCADLO CCCNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187383290 386546231 /nfs/dbraw/zinc/54/62/31/386546231.db2.gz MIZRNBCQFCSOSJ-NXEZZACHSA-N 1 2 241.335 0.098 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000639259790 386554383 /nfs/dbraw/zinc/55/43/83/386554383.db2.gz WAWXFCDPPBSSQR-MNOVXSKESA-N 1 2 236.319 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000639259790 386554389 /nfs/dbraw/zinc/55/43/89/386554389.db2.gz WAWXFCDPPBSSQR-MNOVXSKESA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nnc(C)s1 ZINC000519773821 386555492 /nfs/dbraw/zinc/55/54/92/386555492.db2.gz OLBDIBJWHGYLCX-NBEYISGCSA-N 1 2 243.332 0.911 20 0 BCADLO CC[N@H+](Cc1nncn1C)[C@H]1CCOC1 ZINC000519797129 386557408 /nfs/dbraw/zinc/55/74/08/386557408.db2.gz SCYKFZVPEADGTI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1nncn1C)[C@H]1CCOC1 ZINC000519797129 386557413 /nfs/dbraw/zinc/55/74/13/386557413.db2.gz SCYKFZVPEADGTI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C2CC(O)C2)[nH]1 ZINC000408372458 386558275 /nfs/dbraw/zinc/55/82/75/386558275.db2.gz CDWZJCFRMJRQHF-UHFFFAOYSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C2CC(O)C2)[nH]1 ZINC000408372458 386558281 /nfs/dbraw/zinc/55/82/81/386558281.db2.gz CDWZJCFRMJRQHF-UHFFFAOYSA-N 1 2 224.308 0.883 20 0 BCADLO O=C1OCC[C@@H]2CCN(Cc3c[nH+]c[nH]3)[C@H]12 ZINC000366491379 386597622 /nfs/dbraw/zinc/59/76/22/386597622.db2.gz RZSYYUNNGBQFHX-WPRPVWTQSA-N 1 2 221.260 0.547 20 0 BCADLO O=C1OCC[C@@H]2CCN(Cc3c[nH]c[nH+]3)[C@H]12 ZINC000366491379 386597625 /nfs/dbraw/zinc/59/76/25/386597625.db2.gz RZSYYUNNGBQFHX-WPRPVWTQSA-N 1 2 221.260 0.547 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCO1 ZINC000278668520 386562742 /nfs/dbraw/zinc/56/27/42/386562742.db2.gz PPYNNJMRJJZQTC-VIFPVBQESA-N 1 2 223.276 0.556 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCCO1 ZINC000278668520 386562746 /nfs/dbraw/zinc/56/27/46/386562746.db2.gz PPYNNJMRJJZQTC-VIFPVBQESA-N 1 2 223.276 0.556 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335407197 386565962 /nfs/dbraw/zinc/56/59/62/386565962.db2.gz GWYNORFJTQCGKF-LLVKDONJSA-N 1 2 244.360 0.283 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335407197 386565968 /nfs/dbraw/zinc/56/59/68/386565968.db2.gz GWYNORFJTQCGKF-LLVKDONJSA-N 1 2 244.360 0.283 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408422733 386568830 /nfs/dbraw/zinc/56/88/30/386568830.db2.gz KJDVDGRYDULMCO-HLTSFMKQSA-N 1 2 218.272 0.309 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408422733 386568835 /nfs/dbraw/zinc/56/88/35/386568835.db2.gz KJDVDGRYDULMCO-HLTSFMKQSA-N 1 2 218.272 0.309 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000267655050 386569904 /nfs/dbraw/zinc/56/99/04/386569904.db2.gz LYHGTOYJXGIYCQ-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000267655050 386569907 /nfs/dbraw/zinc/56/99/07/386569907.db2.gz LYHGTOYJXGIYCQ-VIFPVBQESA-N 1 2 239.275 0.642 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cc1c[nH+]cn1C ZINC000519857281 386570224 /nfs/dbraw/zinc/57/02/24/386570224.db2.gz OXAGWPYKAWRKIP-JTQLQIEISA-N 1 2 239.319 0.487 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cnn(C)c2)C1 ZINC000267675659 386570950 /nfs/dbraw/zinc/57/09/50/386570950.db2.gz PRKBHOUTPRDWFA-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000267675659 386570961 /nfs/dbraw/zinc/57/09/61/386570961.db2.gz PRKBHOUTPRDWFA-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000408422153 386571063 /nfs/dbraw/zinc/57/10/63/386571063.db2.gz FQYUGGRRNDUVFQ-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000408422153 386571068 /nfs/dbraw/zinc/57/10/68/386571068.db2.gz FQYUGGRRNDUVFQ-UWVGGRQHSA-N 1 2 242.298 0.450 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000328807251 386621842 /nfs/dbraw/zinc/62/18/42/386621842.db2.gz CTJQPBCVNNLVLE-SECBINFHSA-N 1 2 225.292 0.269 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000328807251 386621850 /nfs/dbraw/zinc/62/18/50/386621850.db2.gz CTJQPBCVNNLVLE-SECBINFHSA-N 1 2 225.292 0.269 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)CCO ZINC000179230536 386621822 /nfs/dbraw/zinc/62/18/22/386621822.db2.gz JZQKTOCUBBGMCJ-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)CCO ZINC000179230536 386621828 /nfs/dbraw/zinc/62/18/28/386621828.db2.gz JZQKTOCUBBGMCJ-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO Cc1cc(C[NH+]2CC(C(C)(C)O)C2)nn1C ZINC000414465316 386622772 /nfs/dbraw/zinc/62/27/72/386622772.db2.gz XAJMYFMZMJTTCN-UHFFFAOYSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328784952 386626636 /nfs/dbraw/zinc/62/66/36/386626636.db2.gz VXVRZZFDVYDDAG-PHIMTYICSA-N 1 2 237.303 0.626 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328784952 386626641 /nfs/dbraw/zinc/62/66/41/386626641.db2.gz VXVRZZFDVYDDAG-PHIMTYICSA-N 1 2 237.303 0.626 20 0 BCADLO C[C@@H](O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000644931370 386629816 /nfs/dbraw/zinc/62/98/16/386629816.db2.gz RIUPUIQFDOHTLD-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H](O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000644931370 386629820 /nfs/dbraw/zinc/62/98/20/386629820.db2.gz RIUPUIQFDOHTLD-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO COC[C@@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000644943613 386631019 /nfs/dbraw/zinc/63/10/19/386631019.db2.gz GMKFRVROODXKOT-JTQLQIEISA-N 1 2 245.286 0.887 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)CC(C)C)ncn1 ZINC000292178141 386631374 /nfs/dbraw/zinc/63/13/74/386631374.db2.gz MOXKTXQMAYQPQO-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)CC(C)C)ncn1 ZINC000292178141 386631380 /nfs/dbraw/zinc/63/13/80/386631380.db2.gz MOXKTXQMAYQPQO-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2COC[C@H]2O)[nH+]1 ZINC000329213017 386634163 /nfs/dbraw/zinc/63/41/63/386634163.db2.gz ITFGJQDIAHAHNL-NXEZZACHSA-N 1 2 248.286 0.462 20 0 BCADLO C[C@H](c1nc(C2CC2)no1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408440503 386634645 /nfs/dbraw/zinc/63/46/45/386634645.db2.gz CMLVJSMCJHLZPV-YEPSODPASA-N 1 2 239.275 0.045 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCn1cccc1 ZINC000279108727 386634774 /nfs/dbraw/zinc/63/47/74/386634774.db2.gz BQFJHGILXARNKN-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO Cc1nnc(C[N@H+](C)CCn2cccn2)[nH]1 ZINC000268258777 386635776 /nfs/dbraw/zinc/63/57/76/386635776.db2.gz DONGPVSOIKQNKS-UHFFFAOYSA-N 1 2 220.280 0.442 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCn2cccn2)[nH]1 ZINC000268258777 386635783 /nfs/dbraw/zinc/63/57/83/386635783.db2.gz DONGPVSOIKQNKS-UHFFFAOYSA-N 1 2 220.280 0.442 20 0 BCADLO Cc1[nH]c(C(=O)NCCC[C@H](C)O)c[nH+]1 ZINC000279136435 386636730 /nfs/dbraw/zinc/63/67/30/386636730.db2.gz NWECROHXZZOIKQ-ZETCQYMHSA-N 1 2 211.265 0.609 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279139793 386637912 /nfs/dbraw/zinc/63/79/12/386637912.db2.gz GBRGTWGRSCEMJH-VIFPVBQESA-N 1 2 225.292 0.475 20 0 BCADLO C[N@H+]([C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC000328880637 386640679 /nfs/dbraw/zinc/64/06/79/386640679.db2.gz KTWRKMRNTVQUCM-HTQZYQBOSA-N 1 2 211.265 0.766 20 0 BCADLO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC000328880637 386640684 /nfs/dbraw/zinc/64/06/84/386640684.db2.gz KTWRKMRNTVQUCM-HTQZYQBOSA-N 1 2 211.265 0.766 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C)C1 ZINC000279146839 386640883 /nfs/dbraw/zinc/64/08/83/386640883.db2.gz GWBFJZXCZGSTPK-QMMMGPOBSA-N 1 2 223.276 0.508 20 0 BCADLO O=C1CN(CCn2cc[nH+]c2)CN1C1CC1 ZINC000279164329 386642273 /nfs/dbraw/zinc/64/22/73/386642273.db2.gz QCJRYUPLQCIPCM-UHFFFAOYSA-N 1 2 220.276 0.147 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279201715 386649996 /nfs/dbraw/zinc/64/99/96/386649996.db2.gz MVSOLWUBAHFUHQ-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1NC(=O)[C@@H]2CSCCN21 ZINC000328933784 386650438 /nfs/dbraw/zinc/65/04/38/386650438.db2.gz BYLNATCKQBOVDX-DTWKUNHWSA-N 1 2 238.316 0.806 20 0 BCADLO CC[C@@H](COC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279211878 386650791 /nfs/dbraw/zinc/65/07/91/386650791.db2.gz NVXNDFDRVKDWPT-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CCCCO)n1 ZINC000337204451 386651013 /nfs/dbraw/zinc/65/10/13/386651013.db2.gz IVFMSXIJCJEPHG-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CCCCO)n1 ZINC000337204451 386651017 /nfs/dbraw/zinc/65/10/17/386651017.db2.gz IVFMSXIJCJEPHG-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO Cn1c[nH+]cc1CN1CCOC[C@H]1c1nc[nH]n1 ZINC000328918740 386651446 /nfs/dbraw/zinc/65/14/46/386651446.db2.gz SFHXXDPUYLCXPL-JTQLQIEISA-N 1 2 248.290 0.112 20 0 BCADLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336759154 386653482 /nfs/dbraw/zinc/65/34/82/386653482.db2.gz ISZHZEUSNYGRRY-YUMQZZPRSA-N 1 2 226.280 0.558 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000267946625 386600908 /nfs/dbraw/zinc/60/09/08/386600908.db2.gz PFACUPJIPYGBSY-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000267946625 386600914 /nfs/dbraw/zinc/60/09/14/386600914.db2.gz PFACUPJIPYGBSY-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000329079627 386601500 /nfs/dbraw/zinc/60/15/00/386601500.db2.gz QXRJJKOKAMTNCN-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000329079627 386601507 /nfs/dbraw/zinc/60/15/07/386601507.db2.gz QXRJJKOKAMTNCN-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328606153 386601435 /nfs/dbraw/zinc/60/14/35/386601435.db2.gz KEJNTEXCIGIICQ-ZJUUUORDSA-N 1 2 237.303 0.412 20 0 BCADLO O=C1CC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CCN12 ZINC000328606153 386601439 /nfs/dbraw/zinc/60/14/39/386601439.db2.gz KEJNTEXCIGIICQ-ZJUUUORDSA-N 1 2 237.303 0.412 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H](C)C1 ZINC000328649261 386603281 /nfs/dbraw/zinc/60/32/81/386603281.db2.gz IRMLDRUTIJGYDK-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H](C)C1 ZINC000328649261 386603286 /nfs/dbraw/zinc/60/32/86/386603286.db2.gz IRMLDRUTIJGYDK-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000328649256 386603477 /nfs/dbraw/zinc/60/34/77/386603477.db2.gz IRMLDRUTIJGYDK-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H](C)C1 ZINC000328649256 386603481 /nfs/dbraw/zinc/60/34/81/386603481.db2.gz IRMLDRUTIJGYDK-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)n[nH]1 ZINC000267969626 386603554 /nfs/dbraw/zinc/60/35/54/386603554.db2.gz UESBFMJVHOMIID-SNVBAGLBSA-N 1 2 247.302 0.662 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000267969626 386603557 /nfs/dbraw/zinc/60/35/57/386603557.db2.gz UESBFMJVHOMIID-SNVBAGLBSA-N 1 2 247.302 0.662 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335490139 386607887 /nfs/dbraw/zinc/60/78/87/386607887.db2.gz BLJUBBBMFFJIAS-UWVGGRQHSA-N 1 2 237.303 0.285 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](O)C(C)C ZINC000278948317 386608907 /nfs/dbraw/zinc/60/89/07/386608907.db2.gz VJEQWVSCQVVMMC-JTQLQIEISA-N 1 2 225.292 0.394 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(CF)C1 ZINC000335494156 386614736 /nfs/dbraw/zinc/61/47/36/386614736.db2.gz IRIRZKPRMBFKBJ-SNVBAGLBSA-N 1 2 230.283 0.135 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(CF)C1 ZINC000335494156 386614740 /nfs/dbraw/zinc/61/47/40/386614740.db2.gz IRIRZKPRMBFKBJ-SNVBAGLBSA-N 1 2 230.283 0.135 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000645002437 386665657 /nfs/dbraw/zinc/66/56/57/386665657.db2.gz GWXNPAXNZAYOQR-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000645002437 386665660 /nfs/dbraw/zinc/66/56/60/386665660.db2.gz GWXNPAXNZAYOQR-BDAKNGLRSA-N 1 2 223.263 0.705 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)C1CC1 ZINC000328997922 386667288 /nfs/dbraw/zinc/66/72/88/386667288.db2.gz FYZOJMHUIWWICP-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)C1CC1 ZINC000328997921 386667983 /nfs/dbraw/zinc/66/79/83/386667983.db2.gz FYZOJMHUIWWICP-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CO1 ZINC000335526835 386670224 /nfs/dbraw/zinc/67/02/24/386670224.db2.gz BFWVKYPGDJZABG-DTWKUNHWSA-N 1 2 237.303 0.981 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000335527474 386672816 /nfs/dbraw/zinc/67/28/16/386672816.db2.gz CWLDSDNLJKCNMR-XPUUQOCRSA-N 1 2 209.249 0.625 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)C(C)(C)C ZINC000330363441 386674378 /nfs/dbraw/zinc/67/43/78/386674378.db2.gz DLUAMRZZNWBZKG-QMMMGPOBSA-N 1 2 212.297 0.644 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)C(C)(C)C ZINC000330363441 386674381 /nfs/dbraw/zinc/67/43/81/386674381.db2.gz DLUAMRZZNWBZKG-QMMMGPOBSA-N 1 2 212.297 0.644 20 0 BCADLO Cc1nc(C[NH+](CCO)CCO)c(C)s1 ZINC000330363398 386674655 /nfs/dbraw/zinc/67/46/55/386674655.db2.gz BBBCZUYYSGEUIT-UHFFFAOYSA-N 1 2 230.333 0.547 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000330364826 386677448 /nfs/dbraw/zinc/67/74/48/386677448.db2.gz YELJKFIHVIUZAA-LLVKDONJSA-N 1 2 240.303 0.527 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CCO[C@@H](CO)C1 ZINC000330364826 386677457 /nfs/dbraw/zinc/67/74/57/386677457.db2.gz YELJKFIHVIUZAA-LLVKDONJSA-N 1 2 240.303 0.527 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000339829010 386679275 /nfs/dbraw/zinc/67/92/75/386679275.db2.gz LNAWLZZUZUIPDZ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000339829010 386679281 /nfs/dbraw/zinc/67/92/81/386679281.db2.gz LNAWLZZUZUIPDZ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NCc1ccco1 ZINC000352835316 386681573 /nfs/dbraw/zinc/68/15/73/386681573.db2.gz ORUDXTUCMBWJFI-UHFFFAOYSA-N 1 2 248.286 0.717 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NCc1ccco1 ZINC000352835316 386681578 /nfs/dbraw/zinc/68/15/78/386681578.db2.gz ORUDXTUCMBWJFI-UHFFFAOYSA-N 1 2 248.286 0.717 20 0 BCADLO C[N@H+](C[C@](C)(O)C(F)(F)F)[C@H]1CCNC1=O ZINC000337187523 386658063 /nfs/dbraw/zinc/65/80/63/386658063.db2.gz QETZTEZSVYBABY-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@](C)(O)C(F)(F)F)[C@H]1CCNC1=O ZINC000337187523 386658070 /nfs/dbraw/zinc/65/80/70/386658070.db2.gz QETZTEZSVYBABY-XPUUQOCRSA-N 1 2 240.225 0.120 20 0 BCADLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@H](C)O ZINC000425581108 386658148 /nfs/dbraw/zinc/65/81/48/386658148.db2.gz DLQTYVTVMWJPBJ-ZETCQYMHSA-N 1 2 242.275 0.667 20 0 BCADLO C[C@@H](C(=O)N(C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000335520581 386658734 /nfs/dbraw/zinc/65/87/34/386658734.db2.gz IYSGNKIWPWMMLS-NSHDSACASA-N 1 2 241.379 0.879 20 0 BCADLO Cn1ccnc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000366694222 386709133 /nfs/dbraw/zinc/70/91/33/386709133.db2.gz IJYBVHIWYYXZCP-LLVKDONJSA-N 1 2 248.330 0.789 20 0 BCADLO Cn1ccnc1[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000366694222 386709139 /nfs/dbraw/zinc/70/91/39/386709139.db2.gz IJYBVHIWYYXZCP-LLVKDONJSA-N 1 2 248.330 0.789 20 0 BCADLO CCCc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050115499 386684433 /nfs/dbraw/zinc/68/44/33/386684433.db2.gz QGSQFYXQKAGVLX-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050115499 386684438 /nfs/dbraw/zinc/68/44/38/386684438.db2.gz QGSQFYXQKAGVLX-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCCCNC(=O)CC[N@H+](C)CC(=O)OC ZINC000339833798 386684488 /nfs/dbraw/zinc/68/44/88/386684488.db2.gz ZPWPVDFWTWZXEN-UHFFFAOYSA-N 1 2 230.308 0.398 20 0 BCADLO CCCCNC(=O)CC[N@@H+](C)CC(=O)OC ZINC000339833798 386684493 /nfs/dbraw/zinc/68/44/93/386684493.db2.gz ZPWPVDFWTWZXEN-UHFFFAOYSA-N 1 2 230.308 0.398 20 0 BCADLO CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C)C(=O)OC ZINC000192853928 386685063 /nfs/dbraw/zinc/68/50/63/386685063.db2.gz YTMFUVXYGAGEJB-SECBINFHSA-N 1 2 244.335 0.690 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000268726681 386685993 /nfs/dbraw/zinc/68/59/93/386685993.db2.gz WRTMQKPVUANWGE-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC000292540226 386687393 /nfs/dbraw/zinc/68/73/93/386687393.db2.gz RSGSZEJGTSYPGV-SECBINFHSA-N 1 2 225.292 0.802 20 0 BCADLO CC[C@H](CNC(=O)Cc1[nH+]c[nH]c1C)OC ZINC000292540226 386687395 /nfs/dbraw/zinc/68/73/95/386687395.db2.gz RSGSZEJGTSYPGV-SECBINFHSA-N 1 2 225.292 0.802 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H]1CCOC1 ZINC000414482105 386691264 /nfs/dbraw/zinc/69/12/64/386691264.db2.gz CTOFMTUYHAZPQU-NXEZZACHSA-N 1 2 213.277 0.707 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247014760 386692812 /nfs/dbraw/zinc/69/28/12/386692812.db2.gz CHXYWCIOGOWUJA-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247014760 386692825 /nfs/dbraw/zinc/69/28/25/386692825.db2.gz CHXYWCIOGOWUJA-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000335473532 386694177 /nfs/dbraw/zinc/69/41/77/386694177.db2.gz BUZZNCHEUCTXNJ-YPMHNXCESA-N 1 2 238.331 0.932 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000335473532 386694179 /nfs/dbraw/zinc/69/41/79/386694179.db2.gz BUZZNCHEUCTXNJ-YPMHNXCESA-N 1 2 238.331 0.932 20 0 BCADLO CN(C)c1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000337263998 386694445 /nfs/dbraw/zinc/69/44/45/386694445.db2.gz XKQPBESPGRUKDX-MRVPVSSYSA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000337263998 386694451 /nfs/dbraw/zinc/69/44/51/386694451.db2.gz XKQPBESPGRUKDX-MRVPVSSYSA-N 1 2 240.307 0.338 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cc(C)ncn2)[C@@H](C)C1 ZINC000292598246 386696314 /nfs/dbraw/zinc/69/63/14/386696314.db2.gz VSNBCYXDXSZPBB-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ncn2)[C@@H](C)C1 ZINC000292598246 386696318 /nfs/dbraw/zinc/69/63/18/386696318.db2.gz VSNBCYXDXSZPBB-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO CCN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H](C)CO ZINC000645056440 386698805 /nfs/dbraw/zinc/69/88/05/386698805.db2.gz XXTXLDPXXNKJNK-JTQLQIEISA-N 1 2 247.302 0.869 20 0 BCADLO CC[C@@H]([NH2+]CCOCC(F)F)C(=O)OC ZINC000192866431 386703842 /nfs/dbraw/zinc/70/38/42/386703842.db2.gz MUQNUHDERHOXSJ-SSDOTTSWSA-N 1 2 225.235 0.809 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000292651501 386704414 /nfs/dbraw/zinc/70/44/14/386704414.db2.gz UQOGSFPSTHUWSU-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(C)(C)C)[C@H](C)O ZINC000191959484 386732715 /nfs/dbraw/zinc/73/27/15/386732715.db2.gz ZBSQGGWRMNFOSR-DTWKUNHWSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000330489690 386737278 /nfs/dbraw/zinc/73/72/78/386737278.db2.gz KZACKILAWDCMPG-CABZTGNLSA-N 1 2 243.303 0.871 20 0 BCADLO COCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000279812813 386739008 /nfs/dbraw/zinc/73/90/08/386739008.db2.gz OSTSGWIDGUXGGY-JTQLQIEISA-N 1 2 239.319 0.894 20 0 BCADLO COC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000330439913 386739394 /nfs/dbraw/zinc/73/93/94/386739394.db2.gz CRCCXTVLCCVYOI-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000330454980 386716384 /nfs/dbraw/zinc/71/63/84/386716384.db2.gz WOYXLIXCABFTAA-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000330454980 386716390 /nfs/dbraw/zinc/71/63/90/386716390.db2.gz WOYXLIXCABFTAA-VIFPVBQESA-N 1 2 242.319 0.396 20 0 BCADLO CCONC(=O)N1CCn2c[nH+]cc2C1 ZINC000292771279 386725713 /nfs/dbraw/zinc/72/57/13/386725713.db2.gz BNRDBVWTAGXFOY-UHFFFAOYSA-N 1 2 210.237 0.360 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)nc1 ZINC000340696407 386727462 /nfs/dbraw/zinc/72/74/62/386727462.db2.gz OTEFBZFEFZYUCV-JTQLQIEISA-N 1 2 236.319 0.775 20 0 BCADLO Cc1c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cnn1C ZINC000334151965 386749095 /nfs/dbraw/zinc/74/90/95/386749095.db2.gz TYPHHKFHOZMNPM-LBPRGKRZSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cnn1C ZINC000334151965 386749103 /nfs/dbraw/zinc/74/91/03/386749103.db2.gz TYPHHKFHOZMNPM-LBPRGKRZSA-N 1 2 248.330 0.535 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1nccs1 ZINC000647965572 386752354 /nfs/dbraw/zinc/75/23/54/386752354.db2.gz AVWPOILPSIHPAK-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1nccs1 ZINC000647965572 386752358 /nfs/dbraw/zinc/75/23/58/386752358.db2.gz AVWPOILPSIHPAK-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)Cc1nccs1 ZINC000647965572 386752360 /nfs/dbraw/zinc/75/23/60/386752360.db2.gz AVWPOILPSIHPAK-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)Cc1nccs1 ZINC000647965572 386752365 /nfs/dbraw/zinc/75/23/65/386752365.db2.gz AVWPOILPSIHPAK-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO COC[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000279920062 386754971 /nfs/dbraw/zinc/75/49/71/386754971.db2.gz HFYCMTJDFCLZMQ-JTQLQIEISA-N 1 2 249.270 0.071 20 0 BCADLO CC[C@H](O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000292993544 386760606 /nfs/dbraw/zinc/76/06/06/386760606.db2.gz SJSPBELPRMTLAR-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330545509 386762383 /nfs/dbraw/zinc/76/23/83/386762383.db2.gz BXYJOXOFDIMTIY-VGMNWLOBSA-N 1 2 248.348 0.335 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330545509 386762393 /nfs/dbraw/zinc/76/23/93/386762393.db2.gz BXYJOXOFDIMTIY-VGMNWLOBSA-N 1 2 248.348 0.335 20 0 BCADLO CO[C@H]1C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)N(C)C1 ZINC000330559782 386768780 /nfs/dbraw/zinc/76/87/80/386768780.db2.gz RQLOFYKVKFKWDH-GUBZILKMSA-N 1 2 229.324 0.561 20 0 BCADLO CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)N(C)C1 ZINC000330559782 386768784 /nfs/dbraw/zinc/76/87/84/386768784.db2.gz RQLOFYKVKFKWDH-GUBZILKMSA-N 1 2 229.324 0.561 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248795555 386796829 /nfs/dbraw/zinc/79/68/29/386796829.db2.gz YRWNGBBRKYWXMN-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248795555 386796838 /nfs/dbraw/zinc/79/68/38/386796838.db2.gz YRWNGBBRKYWXMN-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO CCC[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000330522393 386770370 /nfs/dbraw/zinc/77/03/70/386770370.db2.gz IFXPROSSIGHGPJ-VIFPVBQESA-N 1 2 236.275 0.808 20 0 BCADLO O=C(C(F)F)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367260960 386773825 /nfs/dbraw/zinc/77/38/25/386773825.db2.gz USWNTWNHGHEPBF-VIFPVBQESA-N 1 2 241.241 0.820 20 0 BCADLO CO[C@@H](C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000280089185 386777267 /nfs/dbraw/zinc/77/72/67/386777267.db2.gz WMKXPEJJFJGYSB-LLVKDONJSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC000165144110 386778305 /nfs/dbraw/zinc/77/83/05/386778305.db2.gz ZDPVLJUCZNAPET-ZJUUUORDSA-N 1 2 225.292 0.549 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCCO1 ZINC000269356994 386782974 /nfs/dbraw/zinc/78/29/74/386782974.db2.gz QMPWVKSZUVIMAR-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO COC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330606457 386784780 /nfs/dbraw/zinc/78/47/80/386784780.db2.gz NUFPSRWTJLQLGR-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO CC[C@H](OC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330544808 386785094 /nfs/dbraw/zinc/78/50/94/386785094.db2.gz JUMNQIZNSAVPKB-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000269378068 386786026 /nfs/dbraw/zinc/78/60/26/386786026.db2.gz WKFGWPPNLRBECK-JTQLQIEISA-N 1 2 209.293 0.922 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CO)C1 ZINC000269378068 386786030 /nfs/dbraw/zinc/78/60/30/386786030.db2.gz WKFGWPPNLRBECK-JTQLQIEISA-N 1 2 209.293 0.922 20 0 BCADLO CC(C)(C)[C@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336761867 386787153 /nfs/dbraw/zinc/78/71/53/386787153.db2.gz NRVSZNNRWRDIFZ-LURJTMIESA-N 1 2 214.269 0.007 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000645499304 386819427 /nfs/dbraw/zinc/81/94/27/386819427.db2.gz RQYKNUVYBRUEPG-BKPPORCPSA-N 1 2 225.317 0.915 20 0 BCADLO COCCOCC[NH2+][C@H](C)c1csnn1 ZINC000398428299 386821735 /nfs/dbraw/zinc/82/17/35/386821735.db2.gz SVZXRPWMDHKFEA-MRVPVSSYSA-N 1 2 231.321 0.852 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000340886357 386799085 /nfs/dbraw/zinc/79/90/85/386799085.db2.gz FPQXVIYQYRZMTK-SECBINFHSA-N 1 2 239.323 0.284 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340886357 386799094 /nfs/dbraw/zinc/79/90/94/386799094.db2.gz FPQXVIYQYRZMTK-SECBINFHSA-N 1 2 239.323 0.284 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000329754893 386799443 /nfs/dbraw/zinc/79/94/43/386799443.db2.gz XQXCMAPVJGCFCG-BXKDBHETSA-N 1 2 235.287 0.795 20 0 BCADLO CC(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000639567872 386799952 /nfs/dbraw/zinc/79/99/52/386799952.db2.gz DTACQMDQDUJLER-UHFFFAOYSA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000639567872 386799958 /nfs/dbraw/zinc/79/99/58/386799958.db2.gz DTACQMDQDUJLER-UHFFFAOYSA-N 1 2 212.293 0.518 20 0 BCADLO C[C@H]1OCC[C@]12CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000280309117 386800494 /nfs/dbraw/zinc/80/04/94/386800494.db2.gz FZDLGLYIEZPNLB-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330587143 386801959 /nfs/dbraw/zinc/80/19/59/386801959.db2.gz YAZAFVQZVZALDL-ONGXEEELSA-N 1 2 249.314 0.929 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)c1 ZINC000329823613 386808001 /nfs/dbraw/zinc/80/80/01/386808001.db2.gz HQJJVTBEBMVMQB-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)c1 ZINC000329823613 386808007 /nfs/dbraw/zinc/80/80/07/386808007.db2.gz HQJJVTBEBMVMQB-LBPRGKRZSA-N 1 2 246.318 0.767 20 0 BCADLO COC(=O)CCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330658345 386814319 /nfs/dbraw/zinc/81/43/19/386814319.db2.gz SEPGCPVEUPGBBK-QMMMGPOBSA-N 1 2 246.332 0.892 20 0 BCADLO COC(=O)CCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000330658345 386814323 /nfs/dbraw/zinc/81/43/23/386814323.db2.gz SEPGCPVEUPGBBK-QMMMGPOBSA-N 1 2 246.332 0.892 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330654128 386814937 /nfs/dbraw/zinc/81/49/37/386814937.db2.gz ONELJPFLNMACNQ-IUCAKERBSA-N 1 2 248.348 0.336 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000330654128 386814942 /nfs/dbraw/zinc/81/49/42/386814942.db2.gz ONELJPFLNMACNQ-IUCAKERBSA-N 1 2 248.348 0.336 20 0 BCADLO Cn1cc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000329946059 386816111 /nfs/dbraw/zinc/81/61/11/386816111.db2.gz GENLCYWARFBOSB-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1cc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000329946059 386816114 /nfs/dbraw/zinc/81/61/14/386816114.db2.gz GENLCYWARFBOSB-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000330666324 386816145 /nfs/dbraw/zinc/81/61/45/386816145.db2.gz HTNRDKGCEYLHRO-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CC(C)c1noc(N2CC[NH+](CCO)CC2)n1 ZINC000301212080 386825362 /nfs/dbraw/zinc/82/53/62/386825362.db2.gz WAFPLOCPGXPZAW-UHFFFAOYSA-N 1 2 240.307 0.307 20 0 BCADLO CO[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000280570993 386825314 /nfs/dbraw/zinc/82/53/14/386825314.db2.gz CKCUHNINWVHLMX-KOLCDFICSA-N 1 2 237.303 0.813 20 0 BCADLO CNC(=O)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000334774715 386826334 /nfs/dbraw/zinc/82/63/34/386826334.db2.gz HNDNYGZMVSNRIE-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000330080933 386827515 /nfs/dbraw/zinc/82/75/15/386827515.db2.gz PHABBKQXZZJJGI-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@@H]1C ZINC000330634826 386827375 /nfs/dbraw/zinc/82/73/75/386827375.db2.gz LVUCATPAYPTDCU-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000330080933 386827519 /nfs/dbraw/zinc/82/75/19/386827519.db2.gz PHABBKQXZZJJGI-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000330080933 386827522 /nfs/dbraw/zinc/82/75/22/386827522.db2.gz PHABBKQXZZJJGI-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000330080933 386827526 /nfs/dbraw/zinc/82/75/26/386827526.db2.gz PHABBKQXZZJJGI-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO CCN(C[C@H](C)O)C(=O)Cc1[nH]c[nH+]c1C ZINC000341106952 386839708 /nfs/dbraw/zinc/83/97/08/386839708.db2.gz RKEUAODEEAJCJQ-QMMMGPOBSA-N 1 2 225.292 0.490 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NC(C)(C)C)n1C ZINC000341074886 386842182 /nfs/dbraw/zinc/84/21/82/386842182.db2.gz GKRWSRSTTMDIRU-UHFFFAOYSA-N 1 2 238.335 0.733 20 0 BCADLO Cc1c[nH+]c(CNCC(=O)NC(C)(C)C)n1C ZINC000341074886 386842186 /nfs/dbraw/zinc/84/21/86/386842186.db2.gz GKRWSRSTTMDIRU-UHFFFAOYSA-N 1 2 238.335 0.733 20 0 BCADLO Cc1nc(N(C)CC(=O)N(C)C)c(C)c(C)[nH+]1 ZINC000301461273 386845684 /nfs/dbraw/zinc/84/56/84/386845684.db2.gz ZOOIJHJIDZKUQT-UHFFFAOYSA-N 1 2 236.319 0.926 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000645178597 386846039 /nfs/dbraw/zinc/84/60/39/386846039.db2.gz NHWNPTJSLCEOFL-VHSXEESVSA-N 1 2 240.307 0.342 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330676350 386853647 /nfs/dbraw/zinc/85/36/47/386853647.db2.gz UFWQJGNBKKZEPP-KOLCDFICSA-N 1 2 237.303 0.333 20 0 BCADLO c1coc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331383692 386847293 /nfs/dbraw/zinc/84/72/93/386847293.db2.gz JVBVCJYFQCURLX-GFCCVEGCSA-N 1 2 248.286 0.772 20 0 BCADLO c1coc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331383692 386847297 /nfs/dbraw/zinc/84/72/97/386847297.db2.gz JVBVCJYFQCURLX-GFCCVEGCSA-N 1 2 248.286 0.772 20 0 BCADLO O[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H]1O ZINC000645182961 386848323 /nfs/dbraw/zinc/84/83/23/386848323.db2.gz QPEFTXDYZPFHEV-TXEJJXNPSA-N 1 2 248.257 0.916 20 0 BCADLO CCC(CC)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623366779 386848792 /nfs/dbraw/zinc/84/87/92/386848792.db2.gz IZNSLYSEEBUGFT-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO CCC(CC)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623366779 386848797 /nfs/dbraw/zinc/84/87/97/386848797.db2.gz IZNSLYSEEBUGFT-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO CN(C)c1[nH+]cc(CN(C)[C@H]2CCOC2)n1C ZINC000425336566 386852106 /nfs/dbraw/zinc/85/21/06/386852106.db2.gz LVYPAZADDCOCOA-JTQLQIEISA-N 1 2 238.335 0.707 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000331435498 386853974 /nfs/dbraw/zinc/85/39/74/386853974.db2.gz URQRPLIHMLVHLX-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000331435498 386853980 /nfs/dbraw/zinc/85/39/80/386853980.db2.gz URQRPLIHMLVHLX-JTQLQIEISA-N 1 2 232.291 0.875 20 0 BCADLO COCc1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000330707079 386860085 /nfs/dbraw/zinc/86/00/85/386860085.db2.gz UNDNWNPPORHQGR-MRVPVSSYSA-N 1 2 227.264 0.437 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000330707079 386860093 /nfs/dbraw/zinc/86/00/93/386860093.db2.gz UNDNWNPPORHQGR-MRVPVSSYSA-N 1 2 227.264 0.437 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000366725034 386860286 /nfs/dbraw/zinc/86/02/86/386860286.db2.gz VJSGDEWPGSHFSK-QWRGUYRKSA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000366725034 386860293 /nfs/dbraw/zinc/86/02/93/386860293.db2.gz VJSGDEWPGSHFSK-QWRGUYRKSA-N 1 2 244.335 0.376 20 0 BCADLO CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000335744349 386863854 /nfs/dbraw/zinc/86/38/54/386863854.db2.gz PDFODKQVEGBGHJ-DTWKUNHWSA-N 1 2 215.297 0.025 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)NCc1[nH+]ccn1C ZINC000341250286 386867039 /nfs/dbraw/zinc/86/70/39/386867039.db2.gz NXRVBRYXYWANOL-BDAKNGLRSA-N 1 2 240.307 0.379 20 0 BCADLO CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H](C)CO ZINC000293731056 386869185 /nfs/dbraw/zinc/86/91/85/386869185.db2.gz ULVMZPYFUDAPIU-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO CC(C)(C(=O)NCC1(O)CCC1)c1c[nH]c[nH+]1 ZINC000331577300 386872670 /nfs/dbraw/zinc/87/26/70/386872670.db2.gz LBOZWLZHTQZXBR-UHFFFAOYSA-N 1 2 237.303 0.719 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC(C)(F)C1 ZINC000334835681 386875653 /nfs/dbraw/zinc/87/56/53/386875653.db2.gz RPYRSIWBPQIATL-YZRBJQDESA-N 1 2 244.310 0.714 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CC(C)(F)C1 ZINC000334835681 386875656 /nfs/dbraw/zinc/87/56/56/386875656.db2.gz RPYRSIWBPQIATL-YZRBJQDESA-N 1 2 244.310 0.714 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]1SC)[C@H](C)O ZINC000425342929 386875951 /nfs/dbraw/zinc/87/59/51/386875951.db2.gz QOWOMAJGDMZJSY-UYXSQOIJSA-N 1 2 233.333 0.392 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330762265 386878840 /nfs/dbraw/zinc/87/88/40/386878840.db2.gz OMWFOUHLHDLCFO-BDAKNGLRSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330762265 386878848 /nfs/dbraw/zinc/87/88/48/386878848.db2.gz OMWFOUHLHDLCFO-BDAKNGLRSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330762468 386879624 /nfs/dbraw/zinc/87/96/24/386879624.db2.gz OMWFOUHLHDLCFO-RKDXNWHRSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330762468 386879628 /nfs/dbraw/zinc/87/96/28/386879628.db2.gz OMWFOUHLHDLCFO-RKDXNWHRSA-N 1 2 225.292 0.618 20 0 BCADLO CCOC[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000330771842 386881636 /nfs/dbraw/zinc/88/16/36/386881636.db2.gz CRTSYFMQQADSSV-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO CCOC[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000330771842 386881643 /nfs/dbraw/zinc/88/16/43/386881643.db2.gz CRTSYFMQQADSSV-JTQLQIEISA-N 1 2 239.323 0.459 20 0 BCADLO CC[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330766128 386882584 /nfs/dbraw/zinc/88/25/84/386882584.db2.gz UNYIXZNPMDEQGL-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330766128 386882588 /nfs/dbraw/zinc/88/25/88/386882588.db2.gz UNYIXZNPMDEQGL-MRVPVSSYSA-N 1 2 211.265 0.229 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1(F)F ZINC000331704179 386883330 /nfs/dbraw/zinc/88/33/30/386883330.db2.gz XPZWETLGJZZLOU-HTRCEHHLSA-N 1 2 229.230 0.970 20 0 BCADLO O=C(CN1CCCCC1=O)NCc1[nH]cc[nH+]1 ZINC000330777373 386883636 /nfs/dbraw/zinc/88/36/36/386883636.db2.gz UMJMULSMOCQPBA-UHFFFAOYSA-N 1 2 236.275 0.038 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)[nH]1 ZINC000330305757 386886416 /nfs/dbraw/zinc/88/64/16/386886416.db2.gz KYYUDJYAHDWUJA-JTQLQIEISA-N 1 2 249.318 0.310 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)[nH]1 ZINC000330305757 386886420 /nfs/dbraw/zinc/88/64/20/386886420.db2.gz KYYUDJYAHDWUJA-JTQLQIEISA-N 1 2 249.318 0.310 20 0 BCADLO Cc1n[nH]c(C)c1CCC(=O)NCc1[nH]cc[nH+]1 ZINC000358115455 386895025 /nfs/dbraw/zinc/89/50/25/386895025.db2.gz DABXYFCFKCMUDO-UHFFFAOYSA-N 1 2 247.302 0.999 20 0 BCADLO COC[C@H]([NH2+]Cc1nc(C)no1)[C@H]1CCCO1 ZINC000330797967 386889975 /nfs/dbraw/zinc/88/99/75/386889975.db2.gz BELJBNZBCDDHMU-VHSXEESVSA-N 1 2 241.291 0.662 20 0 BCADLO Cc1noc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)n1 ZINC000330796853 386890452 /nfs/dbraw/zinc/89/04/52/386890452.db2.gz AIEBIPZLNSBNAL-PSASIEDQSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1noc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)n1 ZINC000330796853 386890456 /nfs/dbraw/zinc/89/04/56/386890456.db2.gz AIEBIPZLNSBNAL-PSASIEDQSA-N 1 2 241.291 0.350 20 0 BCADLO O=C1NCCC[C@@H]1SCCn1cc[nH+]c1 ZINC000341516233 386913559 /nfs/dbraw/zinc/91/35/59/386913559.db2.gz UFLFDOXIPPMTDY-VIFPVBQESA-N 1 2 225.317 0.895 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCc2ncccc2C1 ZINC000367850717 386914767 /nfs/dbraw/zinc/91/47/67/386914767.db2.gz RUVSZPOAPLURLJ-NSHDSACASA-N 1 2 217.272 0.328 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCc2ncccc2C1 ZINC000367850717 386914772 /nfs/dbraw/zinc/91/47/72/386914772.db2.gz RUVSZPOAPLURLJ-NSHDSACASA-N 1 2 217.272 0.328 20 0 BCADLO O=C1NCCC[C@H]1SCCn1cc[nH+]c1 ZINC000341516229 386914930 /nfs/dbraw/zinc/91/49/30/386914930.db2.gz UFLFDOXIPPMTDY-SECBINFHSA-N 1 2 225.317 0.895 20 0 BCADLO Cc1nc(C[N@@H+](C)C2(CO)CCC2)no1 ZINC000331826660 386914957 /nfs/dbraw/zinc/91/49/57/386914957.db2.gz XGMALJMQRUUVCL-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+](C)C2(CO)CCC2)no1 ZINC000331826660 386914963 /nfs/dbraw/zinc/91/49/63/386914963.db2.gz XGMALJMQRUUVCL-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000367868424 386916306 /nfs/dbraw/zinc/91/63/06/386916306.db2.gz UHFAXZZKQHMMOV-GFCCVEGCSA-N 1 2 246.326 0.699 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000367868424 386916311 /nfs/dbraw/zinc/91/63/11/386916311.db2.gz UHFAXZZKQHMMOV-GFCCVEGCSA-N 1 2 246.326 0.699 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2ccoc2)nc1=O ZINC000330821960 386899077 /nfs/dbraw/zinc/89/90/77/386899077.db2.gz HMTKMWHRYJJTJE-UHFFFAOYSA-N 1 2 222.248 0.333 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2ccoc2)nc1=O ZINC000330821960 386899082 /nfs/dbraw/zinc/89/90/82/386899082.db2.gz HMTKMWHRYJJTJE-UHFFFAOYSA-N 1 2 222.248 0.333 20 0 BCADLO CCc1cc(N2CCC[C@H]2C(N)=O)nc(C)[nH+]1 ZINC000302058884 386899897 /nfs/dbraw/zinc/89/98/97/386899897.db2.gz RTUUCXPKPDNAFP-JTQLQIEISA-N 1 2 234.303 0.802 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)C(=O)NCCF)n1C ZINC000341394529 386901816 /nfs/dbraw/zinc/90/18/16/386901816.db2.gz XYONYKYRZLVAEQ-SECBINFHSA-N 1 2 242.298 0.292 20 0 BCADLO Cc1c[nH+]c(CN[C@H](C)C(=O)NCCF)n1C ZINC000341394529 386901820 /nfs/dbraw/zinc/90/18/20/386901820.db2.gz XYONYKYRZLVAEQ-SECBINFHSA-N 1 2 242.298 0.292 20 0 BCADLO O=C([C@H]1C[C@]12CCOC2)N1CCn2c[nH+]cc2C1 ZINC000358160391 386902449 /nfs/dbraw/zinc/90/24/49/386902449.db2.gz DIHLXCJJGAZREE-YPMHNXCESA-N 1 2 247.298 0.652 20 0 BCADLO Cc1cnc(C[NH2+]CC(=O)NCC(F)F)n1C ZINC000341399844 386903987 /nfs/dbraw/zinc/90/39/87/386903987.db2.gz FWTUYGQIRHGLQE-UHFFFAOYSA-N 1 2 246.261 0.199 20 0 BCADLO Cc1c[nH+]c(CNCC(=O)NCC(F)F)n1C ZINC000341399844 386903992 /nfs/dbraw/zinc/90/39/92/386903992.db2.gz FWTUYGQIRHGLQE-UHFFFAOYSA-N 1 2 246.261 0.199 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)CCc1c[nH+]cn1C ZINC000341409965 386908052 /nfs/dbraw/zinc/90/80/52/386908052.db2.gz UEYJCXBZZGWBBD-SNVBAGLBSA-N 1 2 239.319 0.582 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cnns1)[C@@H](C)CO ZINC000330874770 386909080 /nfs/dbraw/zinc/90/90/80/386909080.db2.gz VXQPTDSYPDHXIG-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cnns1)[C@@H](C)CO ZINC000330874770 386909081 /nfs/dbraw/zinc/90/90/81/386909081.db2.gz VXQPTDSYPDHXIG-YUMQZZPRSA-N 1 2 231.321 0.102 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)C1CC1 ZINC000331895621 386921311 /nfs/dbraw/zinc/92/13/11/386921311.db2.gz MWLVEKDQJBIQLJ-UHFFFAOYSA-N 1 2 215.278 0.002 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000341524482 386921397 /nfs/dbraw/zinc/92/13/97/386921397.db2.gz HARYTVLCPNUUKX-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1nncc1C[N@H+]1CCOCC2(CC2)C1 ZINC000341524482 386921399 /nfs/dbraw/zinc/92/13/99/386921399.db2.gz HARYTVLCPNUUKX-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)CC(F)(F)F ZINC000330939375 386924830 /nfs/dbraw/zinc/92/48/30/386924830.db2.gz BSQQATDCCMZQCM-ZCFIWIBFSA-N 1 2 238.213 0.550 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)CC(F)(F)F ZINC000330939375 386924835 /nfs/dbraw/zinc/92/48/35/386924835.db2.gz BSQQATDCCMZQCM-ZCFIWIBFSA-N 1 2 238.213 0.550 20 0 BCADLO Cc1nc(C[N@@H+](C[C@H](C)O)C(C)C)no1 ZINC000303983282 386925091 /nfs/dbraw/zinc/92/50/91/386925091.db2.gz GZWLRIYAIYCJDK-QMMMGPOBSA-N 1 2 213.281 0.969 20 0 BCADLO Cc1nc(C[N@H+](C[C@H](C)O)C(C)C)no1 ZINC000303983282 386925097 /nfs/dbraw/zinc/92/50/97/386925097.db2.gz GZWLRIYAIYCJDK-QMMMGPOBSA-N 1 2 213.281 0.969 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330953343 386927970 /nfs/dbraw/zinc/92/79/70/386927970.db2.gz GBEZRFCLEVRMQP-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@H](CO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330953343 386927976 /nfs/dbraw/zinc/92/79/76/386927976.db2.gz GBEZRFCLEVRMQP-RKDXNWHRSA-N 1 2 237.303 0.717 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC1(O)CCC1 ZINC000331936107 386928385 /nfs/dbraw/zinc/92/83/85/386928385.db2.gz GTHQIZHOJKRWEY-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC1(O)CCC1 ZINC000331936107 386928391 /nfs/dbraw/zinc/92/83/91/386928391.db2.gz GTHQIZHOJKRWEY-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO COC(=O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330953690 386928455 /nfs/dbraw/zinc/92/84/55/386928455.db2.gz LUBZRPCWWQAJJI-SSDOTTSWSA-N 1 2 237.259 0.119 20 0 BCADLO COC(=O)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330953690 386928462 /nfs/dbraw/zinc/92/84/62/386928462.db2.gz LUBZRPCWWQAJJI-SSDOTTSWSA-N 1 2 237.259 0.119 20 0 BCADLO C[C@H](CCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330950875 386928521 /nfs/dbraw/zinc/92/85/21/386928521.db2.gz DKCFECCJWXYYDX-MRVPVSSYSA-N 1 2 225.292 0.574 20 0 BCADLO CN(C)[C@@H](C(=O)NC1CC1)c1c[nH+]cn1C ZINC000331938553 386928913 /nfs/dbraw/zinc/92/89/13/386928913.db2.gz RMYGYTMXGDBRPX-SNVBAGLBSA-N 1 2 222.292 0.301 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330963093 386929782 /nfs/dbraw/zinc/92/97/82/386929782.db2.gz KFCYIZYROZGPCG-RKDXNWHRSA-N 1 2 237.303 0.574 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330963093 386929787 /nfs/dbraw/zinc/92/97/87/386929787.db2.gz KFCYIZYROZGPCG-RKDXNWHRSA-N 1 2 237.303 0.574 20 0 BCADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nnnn1C ZINC000330956908 386930836 /nfs/dbraw/zinc/93/08/36/386930836.db2.gz NFTHWCLRSOIMFX-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nnnn1C ZINC000330956908 386930838 /nfs/dbraw/zinc/93/08/38/386930838.db2.gz NFTHWCLRSOIMFX-VHSXEESVSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000331018292 386933729 /nfs/dbraw/zinc/93/37/29/386933729.db2.gz YZPPIIHQGUGOMT-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC(=O)NC(C)C ZINC000336762398 386934812 /nfs/dbraw/zinc/93/48/12/386934812.db2.gz LHBCYCQRGGEKFM-UHFFFAOYSA-N 1 2 230.308 0.442 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCc1[nH]cc[nH+]1 ZINC000331024727 386935688 /nfs/dbraw/zinc/93/56/88/386935688.db2.gz NXQYNIFNSAYVNS-SNVBAGLBSA-N 1 2 211.265 0.433 20 0 BCADLO CCN(CC(N)=O)c1cc[nH+]c(C(C)C)n1 ZINC000302780092 386935755 /nfs/dbraw/zinc/93/57/55/386935755.db2.gz RBPHQMSNEWJPPZ-UHFFFAOYSA-N 1 2 222.292 0.912 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000331020655 386936589 /nfs/dbraw/zinc/93/65/89/386936589.db2.gz JSQZXYUTEAPWTF-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@]23CCOC3)n1 ZINC000368066840 386937314 /nfs/dbraw/zinc/93/73/14/386937314.db2.gz ZESUETFJHNVGSY-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@]23CCOC3)n1 ZINC000368066840 386937318 /nfs/dbraw/zinc/93/73/18/386937318.db2.gz ZESUETFJHNVGSY-NSHDSACASA-N 1 2 222.292 0.570 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330987549 386940112 /nfs/dbraw/zinc/94/01/12/386940112.db2.gz RFPQQRQXJHACBD-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330987549 386940114 /nfs/dbraw/zinc/94/01/14/386940114.db2.gz RFPQQRQXJHACBD-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO CCc1nc(C(=O)N(C)Cc2[nH+]ccn2C)no1 ZINC000331072890 386953685 /nfs/dbraw/zinc/95/36/85/386953685.db2.gz FLJFECAVGLYYDZ-UHFFFAOYSA-N 1 2 249.274 0.638 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1CO ZINC000366745267 386954273 /nfs/dbraw/zinc/95/42/73/386954273.db2.gz LKWQCUNEIREMJR-NXEZZACHSA-N 1 2 249.314 0.813 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000366743595 386956693 /nfs/dbraw/zinc/95/66/93/386956693.db2.gz GPZKUNXPBOASCV-VHSXEESVSA-N 1 2 223.276 0.989 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000366743595 386956698 /nfs/dbraw/zinc/95/66/98/386956698.db2.gz GPZKUNXPBOASCV-VHSXEESVSA-N 1 2 223.276 0.989 20 0 BCADLO Cc1cnn(CC[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000334885931 386958841 /nfs/dbraw/zinc/95/88/41/386958841.db2.gz ATAJWDGVBNELFW-NSHDSACASA-N 1 2 236.319 0.354 20 0 BCADLO Cc1cnn(CC[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000334885931 386958848 /nfs/dbraw/zinc/95/88/48/386958848.db2.gz ATAJWDGVBNELFW-NSHDSACASA-N 1 2 236.319 0.354 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000332116429 386962288 /nfs/dbraw/zinc/96/22/88/386962288.db2.gz GHTCZZNZSWWWAY-SKDRFNHKSA-N 1 2 244.310 0.450 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000332116429 386962295 /nfs/dbraw/zinc/96/22/95/386962295.db2.gz GHTCZZNZSWWWAY-SKDRFNHKSA-N 1 2 244.310 0.450 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCc2ncccc2C1 ZINC000368338688 386963599 /nfs/dbraw/zinc/96/35/99/386963599.db2.gz GHFUBCOAIUCKSJ-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO Cn1nnnc1C[N@H+]1CCc2ncccc2C1 ZINC000368338688 386963603 /nfs/dbraw/zinc/96/36/03/386963603.db2.gz GHFUBCOAIUCKSJ-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000425353856 386964013 /nfs/dbraw/zinc/96/40/13/386964013.db2.gz QYKYIBSZEDEETN-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000425353856 386964017 /nfs/dbraw/zinc/96/40/17/386964017.db2.gz QYKYIBSZEDEETN-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000425353856 386964023 /nfs/dbraw/zinc/96/40/23/386964023.db2.gz QYKYIBSZEDEETN-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000425353856 386964030 /nfs/dbraw/zinc/96/40/30/386964030.db2.gz QYKYIBSZEDEETN-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368409452 386965526 /nfs/dbraw/zinc/96/55/26/386965526.db2.gz DTKRCJMBGLQWBS-RKDXNWHRSA-N 1 2 224.264 0.086 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368409452 386965531 /nfs/dbraw/zinc/96/55/31/386965531.db2.gz DTKRCJMBGLQWBS-RKDXNWHRSA-N 1 2 224.264 0.086 20 0 BCADLO O=C(CCn1cccn1)N1CCn2cc[nH+]c2C1 ZINC000332189208 386966973 /nfs/dbraw/zinc/96/69/73/386966973.db2.gz UBDZDDNXPFEYOA-UHFFFAOYSA-N 1 2 245.286 0.512 20 0 BCADLO CC[N@H+](CCCN1CCOCC1)CC(=O)OC ZINC000358511471 386969457 /nfs/dbraw/zinc/96/94/57/386969457.db2.gz RRPGYIXGHFRREF-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CC[N@@H+](CCCN1CCOCC1)CC(=O)OC ZINC000358511471 386969463 /nfs/dbraw/zinc/96/94/63/386969463.db2.gz RRPGYIXGHFRREF-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000332310600 386970578 /nfs/dbraw/zinc/97/05/78/386970578.db2.gz LCVXNQCBDLIUFC-GFCCVEGCSA-N 1 2 237.303 0.816 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000334931195 387007927 /nfs/dbraw/zinc/00/79/27/387007927.db2.gz BKRQEZHRKIJSBD-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC1(C)OCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000518990757 386976049 /nfs/dbraw/zinc/97/60/49/386976049.db2.gz QJWRLSRNTBTUEF-SECBINFHSA-N 1 2 223.276 0.567 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000334931195 387007934 /nfs/dbraw/zinc/00/79/34/387007934.db2.gz BKRQEZHRKIJSBD-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO C[C@H](C(=O)Nc1cc[nH+]cc1O)n1cncn1 ZINC000352969121 386976289 /nfs/dbraw/zinc/97/62/89/386976289.db2.gz RDTQCMMTCKQLOC-SSDOTTSWSA-N 1 2 233.231 0.000 20 0 BCADLO CON(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368458784 386976508 /nfs/dbraw/zinc/97/65/08/386976508.db2.gz PWIDLRCIJCGILD-ZETCQYMHSA-N 1 2 209.249 0.849 20 0 BCADLO O=C(CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368466414 386977153 /nfs/dbraw/zinc/97/71/53/386977153.db2.gz QGKLZIHHTBQXMV-JTQLQIEISA-N 1 2 247.298 0.541 20 0 BCADLO CC[C@@H](CCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331188820 386985746 /nfs/dbraw/zinc/98/57/46/386985746.db2.gz KJKRTYAGDUIWRE-VIFPVBQESA-N 1 2 239.319 0.965 20 0 BCADLO C[C@H](CNC(=O)Cc1ccon1)Cn1cc[nH+]c1 ZINC000353017756 386989815 /nfs/dbraw/zinc/98/98/15/386989815.db2.gz SGDSAJLXGWXAIW-SNVBAGLBSA-N 1 2 248.286 0.866 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000334916867 386992458 /nfs/dbraw/zinc/99/24/58/386992458.db2.gz BJTCQHCBNAGQHA-MNOVXSKESA-N 1 2 241.335 0.368 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000334916867 386992463 /nfs/dbraw/zinc/99/24/63/386992463.db2.gz BJTCQHCBNAGQHA-MNOVXSKESA-N 1 2 241.335 0.368 20 0 BCADLO Cc1ccnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)n1 ZINC000331278619 386994505 /nfs/dbraw/zinc/99/45/05/386994505.db2.gz SJJRCRVESDJPOK-KCJUWKMLSA-N 1 2 234.303 0.399 20 0 BCADLO COc1nccnc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000331236033 386995858 /nfs/dbraw/zinc/99/58/58/386995858.db2.gz LWLYBNOIWIOZTL-SECBINFHSA-N 1 2 236.275 0.985 20 0 BCADLO COc1nccnc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000331236033 386995862 /nfs/dbraw/zinc/99/58/62/386995862.db2.gz LWLYBNOIWIOZTL-SECBINFHSA-N 1 2 236.275 0.985 20 0 BCADLO CCOCC[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000331240180 386997114 /nfs/dbraw/zinc/99/71/14/386997114.db2.gz MOOODXXLDIZGSM-LLVKDONJSA-N 1 2 239.319 0.486 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C)n1C1CC1 ZINC000303266974 386998768 /nfs/dbraw/zinc/99/87/68/386998768.db2.gz WMNBXRDTVSKANX-UHFFFAOYSA-N 1 2 224.308 0.736 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C)n1C1CC1 ZINC000303266974 386998774 /nfs/dbraw/zinc/99/87/74/386998774.db2.gz WMNBXRDTVSKANX-UHFFFAOYSA-N 1 2 224.308 0.736 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663180 386999518 /nfs/dbraw/zinc/99/95/18/386999518.db2.gz BYKQRIUZRNFXDL-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663180 386999519 /nfs/dbraw/zinc/99/95/19/386999519.db2.gz BYKQRIUZRNFXDL-YUMQZZPRSA-N 1 2 226.280 0.246 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000331265803 386999940 /nfs/dbraw/zinc/99/99/40/386999940.db2.gz HSVSNFWOSBDPNT-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000331262742 387000078 /nfs/dbraw/zinc/00/00/78/387000078.db2.gz DVGITVFFVKAAOX-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cnn(C)c2)C1 ZINC000332674365 387001259 /nfs/dbraw/zinc/00/12/59/387001259.db2.gz IUDUXJYLHILGAY-UWVGGRQHSA-N 1 2 238.291 0.545 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cnn(C)c2)C1 ZINC000332674365 387001266 /nfs/dbraw/zinc/00/12/66/387001266.db2.gz IUDUXJYLHILGAY-UWVGGRQHSA-N 1 2 238.291 0.545 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cn(C)nn1 ZINC000332708467 387002867 /nfs/dbraw/zinc/00/28/67/387002867.db2.gz OKAQJJBTWFLIJQ-WDEREUQCSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cn(C)nn1 ZINC000332708467 387002875 /nfs/dbraw/zinc/00/28/75/387002875.db2.gz OKAQJJBTWFLIJQ-WDEREUQCSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332741366 387006459 /nfs/dbraw/zinc/00/64/59/387006459.db2.gz ZLIHQPAAPHHTOP-SNVBAGLBSA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332741366 387006462 /nfs/dbraw/zinc/00/64/62/387006462.db2.gz ZLIHQPAAPHHTOP-SNVBAGLBSA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cn[nH]c1C ZINC000332738269 387006745 /nfs/dbraw/zinc/00/67/45/387006745.db2.gz XOABRSRGOXCYGG-NWDGAFQWSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cn[nH]c1C ZINC000332738269 387006749 /nfs/dbraw/zinc/00/67/49/387006749.db2.gz XOABRSRGOXCYGG-NWDGAFQWSA-N 1 2 239.319 0.954 20 0 BCADLO COC(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000369213688 387032819 /nfs/dbraw/zinc/03/28/19/387032819.db2.gz WWDGNTHUOKIESU-UTLUCORTSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000369213688 387032821 /nfs/dbraw/zinc/03/28/21/387032821.db2.gz WWDGNTHUOKIESU-UTLUCORTSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000369213573 387032893 /nfs/dbraw/zinc/03/28/93/387032893.db2.gz WWDGNTHUOKIESU-AEJSXWLSSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000369213573 387032896 /nfs/dbraw/zinc/03/28/96/387032896.db2.gz WWDGNTHUOKIESU-AEJSXWLSSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000369213574 387033642 /nfs/dbraw/zinc/03/36/42/387033642.db2.gz WWDGNTHUOKIESU-BBBLOLIVSA-N 1 2 240.303 0.278 20 0 BCADLO COC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000369213574 387033647 /nfs/dbraw/zinc/03/36/47/387033647.db2.gz WWDGNTHUOKIESU-BBBLOLIVSA-N 1 2 240.303 0.278 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000333458518 387036959 /nfs/dbraw/zinc/03/69/59/387036959.db2.gz LCXVVMGRFJSJKO-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000333458518 387036963 /nfs/dbraw/zinc/03/69/63/387036963.db2.gz LCXVVMGRFJSJKO-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000369359074 387040055 /nfs/dbraw/zinc/04/00/55/387040055.db2.gz PVUNFKAOVAPQIC-YMTOWFKASA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000369359074 387040059 /nfs/dbraw/zinc/04/00/59/387040059.db2.gz PVUNFKAOVAPQIC-YMTOWFKASA-N 1 2 217.334 0.808 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000359103031 387055158 /nfs/dbraw/zinc/05/51/58/387055158.db2.gz MTKDZIWYHMONHP-GWCFXTLKSA-N 1 2 249.314 0.805 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118534135 387059258 /nfs/dbraw/zinc/05/92/58/387059258.db2.gz LFPITYFQVHVRDD-YUMQZZPRSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118534135 387059260 /nfs/dbraw/zinc/05/92/60/387059260.db2.gz LFPITYFQVHVRDD-YUMQZZPRSA-N 1 2 203.307 0.985 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCCO ZINC000305719257 387062451 /nfs/dbraw/zinc/06/24/51/387062451.db2.gz IYYAGYPFUBTFOZ-UHFFFAOYSA-N 1 2 209.249 0.894 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)C[C@@H](O)C(F)(F)F ZINC000305767977 387064778 /nfs/dbraw/zinc/06/47/78/387064778.db2.gz IJMPMZDPDQFYFG-SSDOTTSWSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)C[C@@H](O)C(F)(F)F ZINC000305767977 387064781 /nfs/dbraw/zinc/06/47/81/387064781.db2.gz IJMPMZDPDQFYFG-SSDOTTSWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C[C@@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000334934202 387010868 /nfs/dbraw/zinc/01/08/68/387010868.db2.gz HWBOUUIKIVOQOB-JGVFFNPUSA-N 1 2 203.307 0.371 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](O)C2(CC2)C1 ZINC000368802091 387013182 /nfs/dbraw/zinc/01/31/82/387013182.db2.gz ZHRAIBVWFTYXGH-VIFPVBQESA-N 1 2 245.286 0.324 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)C1CC1 ZINC000358804277 387015625 /nfs/dbraw/zinc/01/56/25/387015625.db2.gz DPLKYHDEEWBEKQ-WDEREUQCSA-N 1 2 240.303 0.148 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000331362213 387019424 /nfs/dbraw/zinc/01/94/24/387019424.db2.gz ZYYRINIPBZXTRS-SFYZADRCSA-N 1 2 240.307 0.915 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000331362213 387019427 /nfs/dbraw/zinc/01/94/27/387019427.db2.gz ZYYRINIPBZXTRS-SFYZADRCSA-N 1 2 240.307 0.915 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000334943288 387020703 /nfs/dbraw/zinc/02/07/03/387020703.db2.gz IRDYWXYYYHXUOL-JQWIXIFHSA-N 1 2 244.310 0.402 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CC[C@@](F)(CO)C2)C1=O ZINC000334943288 387020709 /nfs/dbraw/zinc/02/07/09/387020709.db2.gz IRDYWXYYYHXUOL-JQWIXIFHSA-N 1 2 244.310 0.402 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cncn2C(C)C)C1 ZINC000425370161 387028068 /nfs/dbraw/zinc/02/80/68/387028068.db2.gz NNDZSHVHLVGEDM-UHFFFAOYSA-N 1 2 236.319 0.642 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CCCOC2)C1 ZINC000418073011 387085619 /nfs/dbraw/zinc/08/56/19/387085619.db2.gz LWABMBMVHOOPOQ-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000228288888 387086465 /nfs/dbraw/zinc/08/64/65/387086465.db2.gz NSRKBUFDKGSKNA-WDEREUQCSA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000228288888 387086483 /nfs/dbraw/zinc/08/64/83/387086483.db2.gz NSRKBUFDKGSKNA-WDEREUQCSA-N 1 2 242.319 0.539 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2C[C@@H]2C)C1 ZINC000418080617 387089731 /nfs/dbraw/zinc/08/97/31/387089731.db2.gz ZZNNXGGVLOFEGS-IUCAKERBSA-N 1 2 217.334 0.761 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CCSC2)C1 ZINC000418080226 387090277 /nfs/dbraw/zinc/09/02/77/387090277.db2.gz ZHKAAHIWPNQRBD-SECBINFHSA-N 1 2 249.401 0.858 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067456919 387094661 /nfs/dbraw/zinc/09/46/61/387094661.db2.gz BFVLVTILUQABIW-ZJUUUORDSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000067456919 387094665 /nfs/dbraw/zinc/09/46/65/387094665.db2.gz BFVLVTILUQABIW-ZJUUUORDSA-N 1 2 226.320 0.716 20 0 BCADLO O=C(C[NH2+]Cc1ncc[nH]1)NCc1ccco1 ZINC000067667026 387097235 /nfs/dbraw/zinc/09/72/35/387097235.db2.gz WAPIDTBDMQMVJA-UHFFFAOYSA-N 1 2 234.259 0.409 20 0 BCADLO Cc1nc(CN(C)CC[NH+]2CCOCC2)no1 ZINC000112407485 387102857 /nfs/dbraw/zinc/10/28/57/387102857.db2.gz LRSNQVJJRDNCHD-UHFFFAOYSA-N 1 2 240.307 0.142 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)N=c1ncnc2[nH][nH]cc1-2 ZINC000359449851 387104978 /nfs/dbraw/zinc/10/49/78/387104978.db2.gz LDECVYJPPBCQSU-MRVPVSSYSA-N 1 2 243.274 0.424 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]ccn2C1)C1CC(=O)C1 ZINC000370365577 387111512 /nfs/dbraw/zinc/11/15/12/387111512.db2.gz GILZGJFNOSVJMA-VIFPVBQESA-N 1 2 233.271 0.293 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000359534160 387119816 /nfs/dbraw/zinc/11/98/16/387119816.db2.gz YNDFDWRFISLVKY-RKDXNWHRSA-N 1 2 225.292 0.882 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(C)n1 ZINC000186899119 387150502 /nfs/dbraw/zinc/15/05/02/387150502.db2.gz OHYVTRKXTDCZPT-GFCCVEGCSA-N 1 2 249.314 0.385 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(C)n1 ZINC000186899119 387150507 /nfs/dbraw/zinc/15/05/07/387150507.db2.gz OHYVTRKXTDCZPT-GFCCVEGCSA-N 1 2 249.314 0.385 20 0 BCADLO Cc1cncc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000359709504 387151814 /nfs/dbraw/zinc/15/18/14/387151814.db2.gz UKGNGVPEKYFJDD-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000359709504 387151817 /nfs/dbraw/zinc/15/18/17/387151817.db2.gz UKGNGVPEKYFJDD-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CC[C@@H](Cn1cncn1)[NH2+]Cc1cn[nH]c1C ZINC000353257463 387166682 /nfs/dbraw/zinc/16/66/82/387166682.db2.gz BHLNVPSVHDALAZ-NSHDSACASA-N 1 2 234.307 0.878 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000336340693 387170343 /nfs/dbraw/zinc/17/03/43/387170343.db2.gz PTZKPNXICMZGDT-UHFFFAOYSA-N 1 2 236.319 0.402 20 0 BCADLO Cc1cnn(CC[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000336340693 387170352 /nfs/dbraw/zinc/17/03/52/387170352.db2.gz PTZKPNXICMZGDT-UHFFFAOYSA-N 1 2 236.319 0.402 20 0 BCADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000353296441 387173623 /nfs/dbraw/zinc/17/36/23/387173623.db2.gz BJQOLWGFXCQNGT-JGVFFNPUSA-N 1 2 213.285 0.238 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000353296441 387173629 /nfs/dbraw/zinc/17/36/29/387173629.db2.gz BJQOLWGFXCQNGT-JGVFFNPUSA-N 1 2 213.285 0.238 20 0 BCADLO FC(F)C[C@@H]1COCC[N@@H+]1CCn1cncn1 ZINC000353292076 387174021 /nfs/dbraw/zinc/17/40/21/387174021.db2.gz YNAJZEBVMFKMMK-SECBINFHSA-N 1 2 246.261 0.634 20 0 BCADLO FC(F)C[C@@H]1COCC[N@H+]1CCn1cncn1 ZINC000353292076 387174024 /nfs/dbraw/zinc/17/40/24/387174024.db2.gz YNAJZEBVMFKMMK-SECBINFHSA-N 1 2 246.261 0.634 20 0 BCADLO C[C@@H](C1CC1)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193295793 387193606 /nfs/dbraw/zinc/19/36/06/387193606.db2.gz PDBFNAZUAIMQTL-QMMMGPOBSA-N 1 2 221.308 0.973 20 0 BCADLO C[C@@H](C1CC1)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193295793 387193612 /nfs/dbraw/zinc/19/36/12/387193612.db2.gz PDBFNAZUAIMQTL-QMMMGPOBSA-N 1 2 221.308 0.973 20 0 BCADLO Cc1cccc(C[NH2+][C@]2(C(N)=O)CCOC2)n1 ZINC000571818635 387177847 /nfs/dbraw/zinc/17/78/47/387177847.db2.gz SEDZGWHJEBGYBM-GFCCVEGCSA-N 1 2 235.287 0.124 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371335004 387193756 /nfs/dbraw/zinc/19/37/56/387193756.db2.gz IHXJLBVNPMMTAG-NSHDSACASA-N 1 2 235.287 0.662 20 0 BCADLO Cn1cccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371335004 387193760 /nfs/dbraw/zinc/19/37/60/387193760.db2.gz IHXJLBVNPMMTAG-NSHDSACASA-N 1 2 235.287 0.662 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000353362557 387188264 /nfs/dbraw/zinc/18/82/64/387188264.db2.gz ZBTNKNXCXSISPF-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000353362557 387188266 /nfs/dbraw/zinc/18/82/66/387188266.db2.gz ZBTNKNXCXSISPF-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336359106 387189592 /nfs/dbraw/zinc/18/95/92/387189592.db2.gz DIYWRZNGSZTEHM-WDEREUQCSA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336359106 387189597 /nfs/dbraw/zinc/18/95/97/387189597.db2.gz DIYWRZNGSZTEHM-WDEREUQCSA-N 1 2 226.320 0.766 20 0 BCADLO c1cn(CCCNc2nccn3nnnc23)c[nH+]1 ZINC000536987819 387138214 /nfs/dbraw/zinc/13/82/14/387138214.db2.gz LDGSHPKOXINLEB-UHFFFAOYSA-N 1 2 244.262 0.218 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@](C)(O)C2)on1 ZINC000571936734 387203124 /nfs/dbraw/zinc/20/31/24/387203124.db2.gz GLRDUSFQBUISSD-NSHDSACASA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@](C)(O)C2)on1 ZINC000571936734 387203130 /nfs/dbraw/zinc/20/31/30/387203130.db2.gz GLRDUSFQBUISSD-NSHDSACASA-N 1 2 224.260 0.834 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@H]1F ZINC000424592940 387203187 /nfs/dbraw/zinc/20/31/87/387203187.db2.gz PDQVKCGGGLZNFO-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO c1[nH]c(CN2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000187535453 387203707 /nfs/dbraw/zinc/20/37/07/387203707.db2.gz XWYFQMUJTZTAAA-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO CONC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000371428124 387210041 /nfs/dbraw/zinc/21/00/41/387210041.db2.gz JEKDWRFXNXZLOF-UHFFFAOYSA-N 1 2 238.291 0.623 20 0 BCADLO CCc1nc(CN2CC[N@@H+](C)C[C@H]2CC)n[nH]1 ZINC000571995399 387217177 /nfs/dbraw/zinc/21/71/77/387217177.db2.gz KSYITEYTGRNPBT-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CCc1nc(CN2CC[N@H+](C)C[C@H]2CC)n[nH]1 ZINC000571995399 387217180 /nfs/dbraw/zinc/21/71/80/387217180.db2.gz KSYITEYTGRNPBT-SNVBAGLBSA-N 1 2 237.351 0.893 20 0 BCADLO CON(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000371482998 387222197 /nfs/dbraw/zinc/22/21/97/387222197.db2.gz LRRYDNRTLLQYQR-QMMMGPOBSA-N 1 2 209.249 0.465 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000360090826 387223012 /nfs/dbraw/zinc/22/30/12/387223012.db2.gz ZBFUXQMWNCAWCK-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1ncnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000360090826 387223018 /nfs/dbraw/zinc/22/30/18/387223018.db2.gz ZBFUXQMWNCAWCK-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000120382133 387234701 /nfs/dbraw/zinc/23/47/01/387234701.db2.gz JBGKVJAFUBJNFA-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000120382133 387234704 /nfs/dbraw/zinc/23/47/04/387234704.db2.gz JBGKVJAFUBJNFA-SNVBAGLBSA-N 1 2 237.303 0.965 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424655272 387237762 /nfs/dbraw/zinc/23/77/62/387237762.db2.gz ZYQDJOPYTISGRQ-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424655272 387237770 /nfs/dbraw/zinc/23/77/70/387237770.db2.gz ZYQDJOPYTISGRQ-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000284937965 387241719 /nfs/dbraw/zinc/24/17/19/387241719.db2.gz WLPXMKHJNZNJRY-ZCFIWIBFSA-N 1 2 201.295 0.659 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000284937965 387241721 /nfs/dbraw/zinc/24/17/21/387241721.db2.gz WLPXMKHJNZNJRY-ZCFIWIBFSA-N 1 2 201.295 0.659 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2c(C)cccn12 ZINC000188059203 387245754 /nfs/dbraw/zinc/24/57/54/387245754.db2.gz KFNICJZSOQMCCB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2c(C)cccn12 ZINC000188059203 387245762 /nfs/dbraw/zinc/24/57/62/387245762.db2.gz KFNICJZSOQMCCB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CCN(CC(N)=O)Cc1c[nH+]c2c(C)cccn12 ZINC000188059203 387245768 /nfs/dbraw/zinc/24/57/68/387245768.db2.gz KFNICJZSOQMCCB-UHFFFAOYSA-N 1 2 246.314 0.950 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000360240107 387250055 /nfs/dbraw/zinc/25/00/55/387250055.db2.gz GTSFIEAFJYHOLA-JTQLQIEISA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000360240107 387250059 /nfs/dbraw/zinc/25/00/59/387250059.db2.gz GTSFIEAFJYHOLA-JTQLQIEISA-N 1 2 214.309 0.622 20 0 BCADLO c1coc([C@H]2C[N@H+](CCn3cncn3)CCO2)c1 ZINC000371886427 387253982 /nfs/dbraw/zinc/25/39/82/387253982.db2.gz UGVVBNABTSOKSN-GFCCVEGCSA-N 1 2 248.286 0.945 20 0 BCADLO c1coc([C@H]2C[N@@H+](CCn3cncn3)CCO2)c1 ZINC000371886427 387253985 /nfs/dbraw/zinc/25/39/85/387253985.db2.gz UGVVBNABTSOKSN-GFCCVEGCSA-N 1 2 248.286 0.945 20 0 BCADLO C[C@H](CNC(=O)[C@@]1(C)C[C@H]1F)[NH+]1CCOCC1 ZINC000424585252 387194782 /nfs/dbraw/zinc/19/47/82/387194782.db2.gz QVKDLZRFLFMDHY-FOGDFJRCSA-N 1 2 244.310 0.571 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364648 387199084 /nfs/dbraw/zinc/19/90/84/387199084.db2.gz OTPNXJIXDFKJMI-RKDXNWHRSA-N 1 2 237.303 0.808 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364648 387199088 /nfs/dbraw/zinc/19/90/88/387199088.db2.gz OTPNXJIXDFKJMI-RKDXNWHRSA-N 1 2 237.303 0.808 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn[nH]c1 ZINC000572301663 387312431 /nfs/dbraw/zinc/31/24/31/387312431.db2.gz LDRSMXGKGSHWPF-ZETCQYMHSA-N 1 2 219.248 0.950 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cn[nH]c1 ZINC000572301663 387312434 /nfs/dbraw/zinc/31/24/34/387312434.db2.gz LDRSMXGKGSHWPF-ZETCQYMHSA-N 1 2 219.248 0.950 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372598746 387315130 /nfs/dbraw/zinc/31/51/30/387315130.db2.gz HDIIFEDLKYVKFL-JTQLQIEISA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372598746 387315133 /nfs/dbraw/zinc/31/51/33/387315133.db2.gz HDIIFEDLKYVKFL-JTQLQIEISA-N 1 2 240.303 0.150 20 0 BCADLO C[C@@H](CF)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336442437 387270091 /nfs/dbraw/zinc/27/00/91/387270091.db2.gz IBWBQQZWAGVHHL-IUCAKERBSA-N 1 2 240.282 0.855 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000372112565 387274238 /nfs/dbraw/zinc/27/42/38/387274238.db2.gz IDRKYPVRCALZKL-OUAUKWLOSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372112565 387274242 /nfs/dbraw/zinc/27/42/42/387274242.db2.gz IDRKYPVRCALZKL-OUAUKWLOSA-N 1 2 245.319 0.146 20 0 BCADLO Cn1c(C[N@@H+]2CCC[C@@H](O)C2)nnc1C1CC1 ZINC000195010707 387278261 /nfs/dbraw/zinc/27/82/61/387278261.db2.gz RUPNUIARBUNDMB-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CCC[C@@H](O)C2)nnc1C1CC1 ZINC000195010707 387278271 /nfs/dbraw/zinc/27/82/71/387278271.db2.gz RUPNUIARBUNDMB-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000353824367 387280509 /nfs/dbraw/zinc/28/05/09/387280509.db2.gz BGCOVUAZNUZHLD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000353824367 387280514 /nfs/dbraw/zinc/28/05/14/387280514.db2.gz BGCOVUAZNUZHLD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCC1 ZINC000336458340 387283538 /nfs/dbraw/zinc/28/35/38/387283538.db2.gz XXFMTESQXMSMPF-TXEJJXNPSA-N 1 2 238.331 0.908 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCC1 ZINC000336458340 387283542 /nfs/dbraw/zinc/28/35/42/387283542.db2.gz XXFMTESQXMSMPF-TXEJJXNPSA-N 1 2 238.331 0.908 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856778 387284112 /nfs/dbraw/zinc/28/41/12/387284112.db2.gz UXTWQWGZKCSUAI-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856778 387284116 /nfs/dbraw/zinc/28/41/16/387284116.db2.gz UXTWQWGZKCSUAI-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000372339847 387290034 /nfs/dbraw/zinc/29/00/34/387290034.db2.gz WYYDICXMGNNCBO-GXSJLCMTSA-N 1 2 240.303 0.102 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000372339847 387290040 /nfs/dbraw/zinc/29/00/40/387290040.db2.gz WYYDICXMGNNCBO-GXSJLCMTSA-N 1 2 240.303 0.102 20 0 BCADLO COc1ccc(CC(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000353915137 387296143 /nfs/dbraw/zinc/29/61/43/387296143.db2.gz ZNICMJPSUMMLCW-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1ccc(CC(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000353915137 387296145 /nfs/dbraw/zinc/29/61/45/387296145.db2.gz ZNICMJPSUMMLCW-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO Cc1cnn(CC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000336492301 387318529 /nfs/dbraw/zinc/31/85/29/387318529.db2.gz FTZYAGFEYMGKLL-UHFFFAOYSA-N 1 2 230.271 0.956 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360836547 387355899 /nfs/dbraw/zinc/35/58/99/387355899.db2.gz XCLHURXEMNHLEZ-SFYZADRCSA-N 1 2 236.262 0.261 20 0 BCADLO C[C@H](C(=O)NCCCCF)[NH+]1CCN(C)CC1 ZINC000360829796 387356713 /nfs/dbraw/zinc/35/67/13/387356713.db2.gz CXLKZHSKJIFQBM-LLVKDONJSA-N 1 2 245.342 0.488 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCO[C@H]1C)CC2 ZINC000373301434 387356793 /nfs/dbraw/zinc/35/67/93/387356793.db2.gz LAIFFCXYQZLQOL-QWRGUYRKSA-N 1 2 249.314 0.959 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCOCC2(CC2)C1 ZINC000336535074 387356922 /nfs/dbraw/zinc/35/69/22/387356922.db2.gz OWVHXXZQKCBCFE-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCOCC1 ZINC000373336539 387357595 /nfs/dbraw/zinc/35/75/95/387357595.db2.gz GOKCTJFYIRXODT-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO Cc1cc(NC(=O)C(=O)c2cccn2C)cc[nH+]1 ZINC000336537671 387358746 /nfs/dbraw/zinc/35/87/46/387358746.db2.gz RDQUPKPYTWNSJU-UHFFFAOYSA-N 1 2 243.266 0.972 20 0 BCADLO CCCCNc1cc(NCCO)nc(N)[nH+]1 ZINC000287076451 387365197 /nfs/dbraw/zinc/36/51/97/387365197.db2.gz TZBPFFXVQWSUQD-UHFFFAOYSA-N 1 2 225.296 0.675 20 0 BCADLO CCCCNc1cc(NCCO)[nH+]c(N)n1 ZINC000287076451 387365200 /nfs/dbraw/zinc/36/52/00/387365200.db2.gz TZBPFFXVQWSUQD-UHFFFAOYSA-N 1 2 225.296 0.675 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCO[C@@H](C(N)=O)C2)n1 ZINC000515377964 387371403 /nfs/dbraw/zinc/37/14/03/387371403.db2.gz IPMQBFFYKMIRPN-GFCCVEGCSA-N 1 2 249.314 0.119 20 0 BCADLO Cc1cccc(CC[N@H+]2CCO[C@@H](C(N)=O)C2)n1 ZINC000515377964 387371407 /nfs/dbraw/zinc/37/14/07/387371407.db2.gz IPMQBFFYKMIRPN-GFCCVEGCSA-N 1 2 249.314 0.119 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000373521911 387378996 /nfs/dbraw/zinc/37/89/96/387378996.db2.gz ONEUOEHINPTQGU-GFCCVEGCSA-N 1 2 240.303 0.246 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000373521911 387378999 /nfs/dbraw/zinc/37/89/99/387378999.db2.gz ONEUOEHINPTQGU-GFCCVEGCSA-N 1 2 240.303 0.246 20 0 BCADLO C[C@@H](CF)NC(=O)CCc1c[nH+]cn1C ZINC000360606632 387320957 /nfs/dbraw/zinc/32/09/57/387320957.db2.gz FNOZCGUMSVRROT-QMMMGPOBSA-N 1 2 213.256 0.827 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000360606442 387321353 /nfs/dbraw/zinc/32/13/53/387321353.db2.gz CWAMKEIQAHWVTQ-IUCAKERBSA-N 1 2 225.267 0.920 20 0 BCADLO COC[C@H]1CCN1Cc1[nH+]cc(C)n1C ZINC000354058553 387323272 /nfs/dbraw/zinc/32/32/72/387323272.db2.gz IQTFKUGCOZSVHI-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1ncc(C)n1C ZINC000354058553 387323277 /nfs/dbraw/zinc/32/32/77/387323277.db2.gz IQTFKUGCOZSVHI-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1ncc(C)n1C ZINC000354058553 387323282 /nfs/dbraw/zinc/32/32/82/387323282.db2.gz IQTFKUGCOZSVHI-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)NC1CC1 ZINC000373598765 387382603 /nfs/dbraw/zinc/38/26/03/387382603.db2.gz VKANJMZTIAMNGD-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)NC1CC1 ZINC000373598765 387382609 /nfs/dbraw/zinc/38/26/09/387382609.db2.gz VKANJMZTIAMNGD-LLVKDONJSA-N 1 2 224.304 0.376 20 0 BCADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000354085736 387327851 /nfs/dbraw/zinc/32/78/51/387327851.db2.gz KNPWMXAFYWVMLI-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO CN(C)C(=O)C[N@H+](C)CC(=O)NC1CCCC1 ZINC000078954889 387331512 /nfs/dbraw/zinc/33/15/12/387331512.db2.gz VQLCUMLEKIKUQF-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)CC(=O)NC1CCCC1 ZINC000078954889 387331518 /nfs/dbraw/zinc/33/15/18/387331518.db2.gz VQLCUMLEKIKUQF-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@H](NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000286498519 387332581 /nfs/dbraw/zinc/33/25/81/387332581.db2.gz XZVIBOLAYQFQTI-VIFPVBQESA-N 1 2 238.291 0.043 20 0 BCADLO COC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000354137846 387334161 /nfs/dbraw/zinc/33/41/61/387334161.db2.gz HRKKXKBDNGGRRT-VIFPVBQESA-N 1 2 226.280 0.217 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cocn1 ZINC000572342862 387334677 /nfs/dbraw/zinc/33/46/77/387334677.db2.gz ROFILXILMJSKPY-LSJOCFKGSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cocn1 ZINC000572342862 387334682 /nfs/dbraw/zinc/33/46/82/387334682.db2.gz ROFILXILMJSKPY-LSJOCFKGSA-N 1 2 235.287 0.760 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000286676076 387337354 /nfs/dbraw/zinc/33/73/54/387337354.db2.gz BYTHSLBHKQVQNO-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000286676076 387337356 /nfs/dbraw/zinc/33/73/56/387337356.db2.gz BYTHSLBHKQVQNO-GFCCVEGCSA-N 1 2 246.314 0.981 20 0 BCADLO COCC(C)(C)[NH2+]Cc1nc(N(C)C)no1 ZINC000192708864 387338440 /nfs/dbraw/zinc/33/84/40/387338440.db2.gz SHVFFEMVMGEKOC-UHFFFAOYSA-N 1 2 228.296 0.650 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cc1c[nH+]cn1C ZINC000548190708 387339337 /nfs/dbraw/zinc/33/93/37/387339337.db2.gz AIIDEVONIKSUGK-NSHDSACASA-N 1 2 225.292 0.240 20 0 BCADLO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)N1 ZINC000395717173 387344402 /nfs/dbraw/zinc/34/44/02/387344402.db2.gz MGFFNKXQXYWTKR-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)N1 ZINC000395717173 387344407 /nfs/dbraw/zinc/34/44/07/387344407.db2.gz MGFFNKXQXYWTKR-VIFPVBQESA-N 1 2 242.319 0.539 20 0 BCADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1nccn1C ZINC000309805010 387344406 /nfs/dbraw/zinc/34/44/06/387344406.db2.gz XJALSYGDWXEMJI-DTWKUNHWSA-N 1 2 245.348 0.504 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000515188343 387347791 /nfs/dbraw/zinc/34/77/91/387347791.db2.gz DEFOYIQELWUTSH-WDEREUQCSA-N 1 2 239.319 0.967 20 0 BCADLO C[C@@H](CC(=O)Nc1cc[nH+]cc1O)n1cccn1 ZINC000424762528 387353263 /nfs/dbraw/zinc/35/32/63/387353263.db2.gz ZEHAIAPWTYSZLV-VIFPVBQESA-N 1 2 246.270 0.995 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ncn(C)n1 ZINC000354276169 387353718 /nfs/dbraw/zinc/35/37/18/387353718.db2.gz AUAGCHMWUNIARV-UHFFFAOYSA-N 1 2 217.232 0.193 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@H]1c1cccs1 ZINC000374134284 387424253 /nfs/dbraw/zinc/42/42/53/387424253.db2.gz UIRTVZFCMHICFT-JTQLQIEISA-N 1 2 240.328 0.603 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@H]1c1cccs1 ZINC000374134284 387424259 /nfs/dbraw/zinc/42/42/59/387424259.db2.gz UIRTVZFCMHICFT-JTQLQIEISA-N 1 2 240.328 0.603 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@@H]1c1cccs1 ZINC000374134285 387424592 /nfs/dbraw/zinc/42/45/92/387424592.db2.gz UIRTVZFCMHICFT-SNVBAGLBSA-N 1 2 240.328 0.603 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@@H]1c1cccs1 ZINC000374134285 387424598 /nfs/dbraw/zinc/42/45/98/387424598.db2.gz UIRTVZFCMHICFT-SNVBAGLBSA-N 1 2 240.328 0.603 20 0 BCADLO CC[C@@H](NC(=O)[C@H](O)C(C)C)c1[nH]cc[nH+]1 ZINC000354763739 387428325 /nfs/dbraw/zinc/42/83/25/387428325.db2.gz DBFHQGMHSHOTJI-RKDXNWHRSA-N 1 2 225.292 0.994 20 0 BCADLO CN(CCCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000374210186 387432602 /nfs/dbraw/zinc/43/26/02/387432602.db2.gz KATLAJFQYUEQGL-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnn(C)n1 ZINC000352680027 387434999 /nfs/dbraw/zinc/43/49/99/387434999.db2.gz IWGBAHKLIFALOJ-ORZSEXNPSA-N 1 2 249.318 0.065 20 0 BCADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1nnn(C)n1 ZINC000352680027 387435004 /nfs/dbraw/zinc/43/50/04/387435004.db2.gz IWGBAHKLIFALOJ-ORZSEXNPSA-N 1 2 249.318 0.065 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000354839704 387436512 /nfs/dbraw/zinc/43/65/12/387436512.db2.gz QLLNBSCYVIYOCT-RBZYPMLTSA-N 1 2 219.350 0.600 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000354839704 387436516 /nfs/dbraw/zinc/43/65/16/387436516.db2.gz QLLNBSCYVIYOCT-RBZYPMLTSA-N 1 2 219.350 0.600 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCO ZINC000374286635 387438229 /nfs/dbraw/zinc/43/82/29/387438229.db2.gz GTTIBQYPFXLMML-NSHDSACASA-N 1 2 239.319 0.782 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCO ZINC000374286635 387438235 /nfs/dbraw/zinc/43/82/35/387438235.db2.gz GTTIBQYPFXLMML-NSHDSACASA-N 1 2 239.319 0.782 20 0 BCADLO CO[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000423862890 387439225 /nfs/dbraw/zinc/43/92/25/387439225.db2.gz GUYHXEYDHHRWLW-IWSPIJDZSA-N 1 2 248.273 0.667 20 0 BCADLO CO[C@@H]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000423862888 387439391 /nfs/dbraw/zinc/43/93/91/387439391.db2.gz GUYHXEYDHHRWLW-DJLDLDEBSA-N 1 2 248.273 0.667 20 0 BCADLO COc1cc[nH+]c(CN(C)CC(N)=O)c1OC ZINC000354871260 387439771 /nfs/dbraw/zinc/43/97/71/387439771.db2.gz MPZJBGFDCUPSOI-UHFFFAOYSA-N 1 2 239.275 0.016 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423922960 387451650 /nfs/dbraw/zinc/45/16/50/387451650.db2.gz KGFBIMZZAJEKCR-XLPZGREQSA-N 1 2 236.262 0.523 20 0 BCADLO CO[C@H](C)CN(C)CC[N@@H+]1CCCOCC1 ZINC000361395789 387454671 /nfs/dbraw/zinc/45/46/71/387454671.db2.gz QAWRSKBTVSVWAR-GFCCVEGCSA-N 1 2 230.352 0.675 20 0 BCADLO CO[C@H](C)CN(C)CC[N@H+]1CCCOCC1 ZINC000361395789 387454674 /nfs/dbraw/zinc/45/46/74/387454674.db2.gz QAWRSKBTVSVWAR-GFCCVEGCSA-N 1 2 230.352 0.675 20 0 BCADLO Cc1cc(NC(=O)N(C)[C@H]2CCNC2=O)cc[nH+]1 ZINC000336614300 387454792 /nfs/dbraw/zinc/45/47/92/387454792.db2.gz QBUYCTSJTPMNGG-JTQLQIEISA-N 1 2 248.286 0.164 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1CO ZINC000336616981 387456888 /nfs/dbraw/zinc/45/68/88/387456888.db2.gz JGYAZHWVAYWKMX-CMPLNLGQSA-N 1 2 249.314 0.429 20 0 BCADLO CC[C@H](O)CC(=O)NCc1[nH+]ccn1CC ZINC000515499660 387390905 /nfs/dbraw/zinc/39/09/05/387390905.db2.gz NGHCBIUUIQQVHN-VIFPVBQESA-N 1 2 225.292 0.680 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000303796470 387398293 /nfs/dbraw/zinc/39/82/93/387398293.db2.gz BBNHYKJNPVGPSJ-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000303796470 387398295 /nfs/dbraw/zinc/39/82/95/387398295.db2.gz BBNHYKJNPVGPSJ-SNVBAGLBSA-N 1 2 224.308 0.408 20 0 BCADLO COC[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373838953 387398434 /nfs/dbraw/zinc/39/84/34/387398434.db2.gz IXJQHPIHBPXDCG-QMMMGPOBSA-N 1 2 240.307 0.725 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(O)c1 ZINC000423709799 387401086 /nfs/dbraw/zinc/40/10/86/387401086.db2.gz OHTKMCISBLEZFQ-JTQLQIEISA-N 1 2 236.271 0.628 20 0 BCADLO Cn1cc(NC(=O)c2ccc3[nH+]ccn3c2)nn1 ZINC000361150088 387406572 /nfs/dbraw/zinc/40/65/72/387406572.db2.gz NZTXQFMBHOMUOT-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000354635030 387406622 /nfs/dbraw/zinc/40/66/22/387406622.db2.gz KHQYAQHCBIGRCX-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000354635030 387406626 /nfs/dbraw/zinc/40/66/26/387406626.db2.gz KHQYAQHCBIGRCX-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@@H+](C)CC(=O)N(C)C ZINC000162516614 387408832 /nfs/dbraw/zinc/40/88/32/387408832.db2.gz IZEPOIUWQNHMIL-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1ncccc1C[N@H+](C)CC(=O)N(C)C ZINC000162516614 387408836 /nfs/dbraw/zinc/40/88/36/387408836.db2.gz IZEPOIUWQNHMIL-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO C[Si](C)(C)C[N@@H+]1CCCS(=O)(=O)CC1 ZINC000374012412 387412573 /nfs/dbraw/zinc/41/25/73/387412573.db2.gz QSBFFAYBIZPUBZ-UHFFFAOYSA-N 1 2 235.425 0.984 20 0 BCADLO C[Si](C)(C)C[N@H+]1CCCS(=O)(=O)CC1 ZINC000374012412 387412578 /nfs/dbraw/zinc/41/25/78/387412578.db2.gz QSBFFAYBIZPUBZ-UHFFFAOYSA-N 1 2 235.425 0.984 20 0 BCADLO O=C(c1cncnc1)N1CC[NH+](C2CC2)CC1 ZINC000354693500 387417546 /nfs/dbraw/zinc/41/75/46/387417546.db2.gz PGNCNFKLOIFEGL-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO Cn1cnc(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000515714247 387419661 /nfs/dbraw/zinc/41/96/61/387419661.db2.gz BGCCUVDKWHOZRP-UHFFFAOYSA-N 1 2 248.290 0.222 20 0 BCADLO Cc1nnc2n1CC[N@@H+](C[C@@H](O)C(C)C)C2 ZINC000374092984 387420543 /nfs/dbraw/zinc/42/05/43/387420543.db2.gz GXSBGYDGBGDMKX-SNVBAGLBSA-N 1 2 224.308 0.419 20 0 BCADLO Cc1nnc2n1CC[N@H+](C[C@@H](O)C(C)C)C2 ZINC000374092984 387420548 /nfs/dbraw/zinc/42/05/48/387420548.db2.gz GXSBGYDGBGDMKX-SNVBAGLBSA-N 1 2 224.308 0.419 20 0 BCADLO COC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000572458386 387499264 /nfs/dbraw/zinc/49/92/64/387499264.db2.gz JRCPNNACOJSGIA-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO CC(C)(C)n1cc(C[NH2+]C2(C(N)=O)CC2)nn1 ZINC000361584434 387501878 /nfs/dbraw/zinc/50/18/78/387501878.db2.gz FMGQHNMFOICYTE-UHFFFAOYSA-N 1 2 237.307 0.141 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000300021249 387511685 /nfs/dbraw/zinc/51/16/85/387511685.db2.gz UVPSYLZKKXSCIR-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000300021249 387511691 /nfs/dbraw/zinc/51/16/91/387511691.db2.gz UVPSYLZKKXSCIR-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000375202409 387515524 /nfs/dbraw/zinc/51/55/24/387515524.db2.gz QLEUSCHWESIFGX-UHFFFAOYSA-N 1 2 237.307 0.213 20 0 BCADLO Cn1nnnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000375202409 387515529 /nfs/dbraw/zinc/51/55/29/387515529.db2.gz QLEUSCHWESIFGX-UHFFFAOYSA-N 1 2 237.307 0.213 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCSC1 ZINC000527190128 387522615 /nfs/dbraw/zinc/52/26/15/387522615.db2.gz APSJTBCUEBCDTC-QMMMGPOBSA-N 1 2 225.317 0.584 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc(O)c1OC ZINC000355347768 387522824 /nfs/dbraw/zinc/52/28/24/387522824.db2.gz XMFFBOXGOZCMMJ-UHFFFAOYSA-N 1 2 238.287 0.708 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc(O)c1OC ZINC000355347768 387522828 /nfs/dbraw/zinc/52/28/28/387522828.db2.gz XMFFBOXGOZCMMJ-UHFFFAOYSA-N 1 2 238.287 0.708 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(C)cn1 ZINC000355352418 387524219 /nfs/dbraw/zinc/52/42/19/387524219.db2.gz GOSUMRNKABMTGH-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)cn1 ZINC000355352418 387524223 /nfs/dbraw/zinc/52/42/23/387524223.db2.gz GOSUMRNKABMTGH-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO COC(=O)c1cccc(=O)n1Cc1c[nH+]cn1C ZINC000424103543 387527732 /nfs/dbraw/zinc/52/77/32/387527732.db2.gz QWKWVJMPHFDTDY-UHFFFAOYSA-N 1 2 247.254 0.417 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000527208219 387533054 /nfs/dbraw/zinc/53/30/54/387533054.db2.gz UNYGGUBZARRVIZ-OPRDCNLKSA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000527208219 387533057 /nfs/dbraw/zinc/53/30/57/387533057.db2.gz UNYGGUBZARRVIZ-OPRDCNLKSA-N 1 2 212.293 0.326 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](C)O)C1 ZINC000192812406 387538369 /nfs/dbraw/zinc/53/83/69/387538369.db2.gz QKMKDAXZUXWGSI-UJNFCWOMSA-N 1 2 241.291 0.521 20 0 BCADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](C)O)C1 ZINC000192812406 387538378 /nfs/dbraw/zinc/53/83/78/387538378.db2.gz QKMKDAXZUXWGSI-UJNFCWOMSA-N 1 2 241.291 0.521 20 0 BCADLO COCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426118783 387539024 /nfs/dbraw/zinc/53/90/24/387539024.db2.gz YTZBDVRKGGOAQP-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO COCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426118783 387539028 /nfs/dbraw/zinc/53/90/28/387539028.db2.gz YTZBDVRKGGOAQP-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO O=S(=O)(CCCF)N1CCn2c[nH+]cc2C1 ZINC000352731177 387464086 /nfs/dbraw/zinc/46/40/86/387464086.db2.gz SHCFCYARDLYYDP-UHFFFAOYSA-N 1 2 247.295 0.388 20 0 BCADLO CC[C@@H](C)[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000355013990 387465840 /nfs/dbraw/zinc/46/58/40/387465840.db2.gz JNTXFMWYCJCHPE-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355038070 387468709 /nfs/dbraw/zinc/46/87/09/387468709.db2.gz ALVXXYWVLRTBPE-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355038070 387468712 /nfs/dbraw/zinc/46/87/12/387468712.db2.gz ALVXXYWVLRTBPE-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO COC[C@H](CC(C)C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000355048805 387469646 /nfs/dbraw/zinc/46/96/46/387469646.db2.gz FOCPNKHKUJXIGG-OUAUKWLOSA-N 1 2 247.335 0.560 20 0 BCADLO COC(=O)[C@@H](CC(F)F)NCc1c[nH+]cn1C ZINC000355053278 387470536 /nfs/dbraw/zinc/47/05/36/387470536.db2.gz OJBZAKOSXBRYKC-MRVPVSSYSA-N 1 2 247.245 0.707 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)N(C)C)CC2 ZINC000374641510 387476298 /nfs/dbraw/zinc/47/62/98/387476298.db2.gz APQDKACZTXDCSR-JTQLQIEISA-N 1 2 236.319 0.484 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000361515517 387476469 /nfs/dbraw/zinc/47/64/69/387476469.db2.gz YENMQOQLQVIDMN-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000361515517 387476474 /nfs/dbraw/zinc/47/64/74/387476474.db2.gz YENMQOQLQVIDMN-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000361514035 387476590 /nfs/dbraw/zinc/47/65/90/387476590.db2.gz JTRSSSHDLUQYDJ-SSDOTTSWSA-N 1 2 210.281 0.495 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000361514035 387476598 /nfs/dbraw/zinc/47/65/98/387476598.db2.gz JTRSSSHDLUQYDJ-SSDOTTSWSA-N 1 2 210.281 0.495 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000361508076 387477291 /nfs/dbraw/zinc/47/72/91/387477291.db2.gz IOFRVNUBXDFHBI-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000361508076 387477292 /nfs/dbraw/zinc/47/72/92/387477292.db2.gz IOFRVNUBXDFHBI-NHCYSSNCSA-N 1 2 243.303 0.428 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@@H]1CCOC1)CC2 ZINC000374660075 387477653 /nfs/dbraw/zinc/47/76/53/387477653.db2.gz JDQCAPKGQAQXFS-NSHDSACASA-N 1 2 249.314 0.960 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1OCC[C@@H]1C)CC2 ZINC000374660462 387478323 /nfs/dbraw/zinc/47/83/23/387478323.db2.gz GHAYZJKZQRJOGC-CABZTGNLSA-N 1 2 249.314 0.959 20 0 BCADLO CC(C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355084615 387478447 /nfs/dbraw/zinc/47/84/47/387478447.db2.gz VOYNIIUSLRVOCL-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355084615 387478450 /nfs/dbraw/zinc/47/84/50/387478450.db2.gz VOYNIIUSLRVOCL-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnns1)CC2 ZINC000374663105 387478553 /nfs/dbraw/zinc/47/85/53/387478553.db2.gz LOSNZGKCUQYOKI-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO COC(C)(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374696633 387482024 /nfs/dbraw/zinc/48/20/24/387482024.db2.gz YFODQBFSAJRIEI-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CSCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355126591 387483211 /nfs/dbraw/zinc/48/32/11/387483211.db2.gz FSTYSRLCIVXLKL-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374699412 387483718 /nfs/dbraw/zinc/48/37/18/387483718.db2.gz LLAXEERDTGJVLM-GHMZBOCLSA-N 1 2 249.314 0.959 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@H]2COC[C@H]2O)s1 ZINC000352789636 387484553 /nfs/dbraw/zinc/48/45/53/387484553.db2.gz CMFMIAUOPLETRC-DTWKUNHWSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@H]2COC[C@H]2O)s1 ZINC000352789636 387484557 /nfs/dbraw/zinc/48/45/57/387484557.db2.gz CMFMIAUOPLETRC-DTWKUNHWSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1cn2c(n1)CN(Cc1c[nH+]cn1C)CC2 ZINC000374710480 387486171 /nfs/dbraw/zinc/48/61/71/387486171.db2.gz NSRYIPJYPHMEFH-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355158770 387489445 /nfs/dbraw/zinc/48/94/45/387489445.db2.gz GYBXBUTVANGFNP-KCJUWKMLSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000355158770 387489449 /nfs/dbraw/zinc/48/94/49/387489449.db2.gz GYBXBUTVANGFNP-KCJUWKMLSA-N 1 2 225.292 0.300 20 0 BCADLO CCn1ncnc1C[N@H+](CC)CCOCCO ZINC000336715534 387580275 /nfs/dbraw/zinc/58/02/75/387580275.db2.gz SPFCHWDGKONIGP-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)CCOCCO ZINC000336715534 387580279 /nfs/dbraw/zinc/58/02/79/387580279.db2.gz SPFCHWDGKONIGP-UHFFFAOYSA-N 1 2 242.323 0.129 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)CC1(F)CC1 ZINC000527509235 387586147 /nfs/dbraw/zinc/58/61/47/387586147.db2.gz CKKWGWYPKWYGOW-UHFFFAOYSA-N 1 2 200.257 0.699 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)CC1(F)CC1 ZINC000527509235 387586153 /nfs/dbraw/zinc/58/61/53/387586153.db2.gz CKKWGWYPKWYGOW-UHFFFAOYSA-N 1 2 200.257 0.699 20 0 BCADLO CCC1(O)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428219653 387591767 /nfs/dbraw/zinc/59/17/67/387591767.db2.gz FSXQNUBCEQWZFH-UHFFFAOYSA-N 1 2 224.308 0.850 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1CO ZINC000367394215 387593843 /nfs/dbraw/zinc/59/38/43/387593843.db2.gz LKWQCUNEIREMJR-VHSXEESVSA-N 1 2 249.314 0.813 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000248968512 387608410 /nfs/dbraw/zinc/60/84/10/387608410.db2.gz SDWAACUVBWACBB-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000248968512 387608414 /nfs/dbraw/zinc/60/84/14/387608414.db2.gz SDWAACUVBWACBB-RKDXNWHRSA-N 1 2 225.292 0.835 20 0 BCADLO O=C(Nc1nncs1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376182437 387612673 /nfs/dbraw/zinc/61/26/73/387612673.db2.gz RJQGVGSLYUKPEY-SSDOTTSWSA-N 1 2 249.299 0.936 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000124385752 387616415 /nfs/dbraw/zinc/61/64/15/387616415.db2.gz DHYSAXFBVHIGMY-QWRGUYRKSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000124385752 387616421 /nfs/dbraw/zinc/61/64/21/387616421.db2.gz DHYSAXFBVHIGMY-QWRGUYRKSA-N 1 2 235.287 0.170 20 0 BCADLO COC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000124439983 387617963 /nfs/dbraw/zinc/61/79/63/387617963.db2.gz FELGNVYZIMYGMV-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356136022 387620961 /nfs/dbraw/zinc/62/09/61/387620961.db2.gz XLPMLJFXMDFUKP-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356136022 387620964 /nfs/dbraw/zinc/62/09/64/387620964.db2.gz XLPMLJFXMDFUKP-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccno3)[C@@H]12 ZINC000376333233 387623755 /nfs/dbraw/zinc/62/37/55/387623755.db2.gz MZNFTQFYFVWDNS-WCBMZHEXSA-N 1 2 222.244 0.812 20 0 BCADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccno3)[C@@H]12 ZINC000376333233 387623759 /nfs/dbraw/zinc/62/37/59/387623759.db2.gz MZNFTQFYFVWDNS-WCBMZHEXSA-N 1 2 222.244 0.812 20 0 BCADLO CCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857456 387547994 /nfs/dbraw/zinc/54/79/94/387547994.db2.gz QZDDVWHICWASHY-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO CCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857456 387547996 /nfs/dbraw/zinc/54/79/96/387547996.db2.gz QZDDVWHICWASHY-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO O=C1NC[C@@]2(CCC[N@H+](Cc3ccno3)C2)O1 ZINC000375571664 387553723 /nfs/dbraw/zinc/55/37/23/387553723.db2.gz PYYZKUFZCBKSCI-LLVKDONJSA-N 1 2 237.259 0.749 20 0 BCADLO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccno3)C2)O1 ZINC000375571664 387553727 /nfs/dbraw/zinc/55/37/27/387553727.db2.gz PYYZKUFZCBKSCI-LLVKDONJSA-N 1 2 237.259 0.749 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000361939933 387554259 /nfs/dbraw/zinc/55/42/59/387554259.db2.gz OWZQLMIHEJULJS-CMLYIYFCSA-N 1 2 216.668 0.875 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000361939933 387554264 /nfs/dbraw/zinc/55/42/64/387554264.db2.gz OWZQLMIHEJULJS-CMLYIYFCSA-N 1 2 216.668 0.875 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000426315829 387554728 /nfs/dbraw/zinc/55/47/28/387554728.db2.gz YNOMAAISGGMEFY-SECBINFHSA-N 1 2 244.360 0.471 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000426315829 387554731 /nfs/dbraw/zinc/55/47/31/387554731.db2.gz YNOMAAISGGMEFY-SECBINFHSA-N 1 2 244.360 0.471 20 0 BCADLO COCC(C)(C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000426357682 387558282 /nfs/dbraw/zinc/55/82/82/387558282.db2.gz RUVRQSBCMQCBEX-UHFFFAOYSA-N 1 2 240.307 0.472 20 0 BCADLO COCC(C)(C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000426357682 387558284 /nfs/dbraw/zinc/55/82/84/387558284.db2.gz RUVRQSBCMQCBEX-UHFFFAOYSA-N 1 2 240.307 0.472 20 0 BCADLO COCC(C)(C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000426357682 387558286 /nfs/dbraw/zinc/55/82/86/387558286.db2.gz RUVRQSBCMQCBEX-UHFFFAOYSA-N 1 2 240.307 0.472 20 0 BCADLO COCC(C)(C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000426357682 387558290 /nfs/dbraw/zinc/55/82/90/387558290.db2.gz RUVRQSBCMQCBEX-UHFFFAOYSA-N 1 2 240.307 0.472 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cncnc1 ZINC000362071641 387567476 /nfs/dbraw/zinc/56/74/76/387567476.db2.gz ZJOXJETUEJWDMR-VFZGTOFNSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cncnc1 ZINC000362071641 387567479 /nfs/dbraw/zinc/56/74/79/387567479.db2.gz ZJOXJETUEJWDMR-VFZGTOFNSA-N 1 2 227.333 0.675 20 0 BCADLO CCOCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362073092 387567944 /nfs/dbraw/zinc/56/79/44/387567944.db2.gz UEKQEGACSSFJFL-MSRIBSCDSA-N 1 2 219.350 0.864 20 0 BCADLO CCOCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362073092 387567945 /nfs/dbraw/zinc/56/79/45/387567945.db2.gz UEKQEGACSSFJFL-MSRIBSCDSA-N 1 2 219.350 0.864 20 0 BCADLO CCOC[C@H](O)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362079900 387569144 /nfs/dbraw/zinc/56/91/44/387569144.db2.gz VWZOTPKPPPFNGK-GARJFASQSA-N 1 2 249.376 0.225 20 0 BCADLO C[C@H](C(=O)N1[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000527473254 387571938 /nfs/dbraw/zinc/57/19/38/387571938.db2.gz FHHBBMOOPGTYMI-GRYCIOLGSA-N 1 2 239.363 0.632 20 0 BCADLO COc1ncccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399855048 387574500 /nfs/dbraw/zinc/57/45/00/387574500.db2.gz MGJWXHXEGLVLAT-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO COc1ncccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399855048 387574503 /nfs/dbraw/zinc/57/45/03/387574503.db2.gz MGJWXHXEGLVLAT-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO Cc1nsc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000266949184 387575211 /nfs/dbraw/zinc/57/52/11/387575211.db2.gz XCLJFPYFYASMIT-SSDOTTSWSA-N 1 2 242.304 0.116 20 0 BCADLO Cc1nsc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000266949184 387575214 /nfs/dbraw/zinc/57/52/14/387575214.db2.gz XCLJFPYFYASMIT-SSDOTTSWSA-N 1 2 242.304 0.116 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000548461002 387577268 /nfs/dbraw/zinc/57/72/68/387577268.db2.gz NKXBOVPWQRMJLN-YPMHNXCESA-N 1 2 249.314 0.505 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000548461000 387577596 /nfs/dbraw/zinc/57/75/96/387577596.db2.gz NKXBOVPWQRMJLN-WCQYABFASA-N 1 2 249.314 0.505 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOC1CCC1 ZINC000376515664 387647423 /nfs/dbraw/zinc/64/74/23/387647423.db2.gz SVVRCGDLBIMOCL-ONGXEEELSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOC1CCC1 ZINC000376515664 387647429 /nfs/dbraw/zinc/64/74/29/387647429.db2.gz SVVRCGDLBIMOCL-ONGXEEELSA-N 1 2 243.303 0.164 20 0 BCADLO CC(C)N1CC[N@H+](CCOCC2CC2)CC1=O ZINC000356347137 387647722 /nfs/dbraw/zinc/64/77/22/387647722.db2.gz CEWXYSLTLZHXCP-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)N1CC[N@@H+](CCOCC2CC2)CC1=O ZINC000356347137 387647727 /nfs/dbraw/zinc/64/77/27/387647727.db2.gz CEWXYSLTLZHXCP-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(C)=O ZINC000376532172 387648998 /nfs/dbraw/zinc/64/89/98/387648998.db2.gz JUOAXVVGUKPLGF-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO COC(=O)C[C@H]1COCC[N@H+]1CCC(C)=O ZINC000376532172 387649002 /nfs/dbraw/zinc/64/90/02/387649002.db2.gz JUOAXVVGUKPLGF-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO COCc1noc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000305802660 387654358 /nfs/dbraw/zinc/65/43/58/387654358.db2.gz GNQIQHRQKXDXNB-SECBINFHSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000305802660 387654364 /nfs/dbraw/zinc/65/43/64/387654364.db2.gz GNQIQHRQKXDXNB-SECBINFHSA-N 1 2 241.291 0.563 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000125508880 387659419 /nfs/dbraw/zinc/65/94/19/387659419.db2.gz WDUFTNUVHHNMGA-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000125508880 387659425 /nfs/dbraw/zinc/65/94/25/387659425.db2.gz WDUFTNUVHHNMGA-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)N(C)CC ZINC000356482379 387663788 /nfs/dbraw/zinc/66/37/88/387663788.db2.gz UPLKNRYDDQNCLT-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)N(C)CC ZINC000356482379 387663791 /nfs/dbraw/zinc/66/37/91/387663791.db2.gz UPLKNRYDDQNCLT-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000356523920 387669586 /nfs/dbraw/zinc/66/95/86/387669586.db2.gz XJNRFZZEJFXVOW-VIFPVBQESA-N 1 2 237.303 0.837 20 0 BCADLO CC[N@H+](CCO)Cc1ncnn1CCF ZINC000440708371 387675707 /nfs/dbraw/zinc/67/57/07/387675707.db2.gz DFZVQOFJSMGAIG-UHFFFAOYSA-N 1 2 216.260 0.062 20 0 BCADLO CC[N@@H+](CCO)Cc1ncnn1CCF ZINC000440708371 387675710 /nfs/dbraw/zinc/67/57/10/387675710.db2.gz DFZVQOFJSMGAIG-UHFFFAOYSA-N 1 2 216.260 0.062 20 0 BCADLO CCn1nncc1C[NH2+]Cc1ccnc(OC)n1 ZINC000527727635 387677813 /nfs/dbraw/zinc/67/78/13/387677813.db2.gz IHWYGQMCEYUFLV-UHFFFAOYSA-N 1 2 248.290 0.386 20 0 BCADLO CC(C)[N@@H+](Cc1ncnn1CCF)C[C@H](C)O ZINC000440715935 387680687 /nfs/dbraw/zinc/68/06/87/387680687.db2.gz UFZBTADMVANPAK-JTQLQIEISA-N 1 2 244.314 0.839 20 0 BCADLO CC(C)[N@H+](Cc1ncnn1CCF)C[C@H](C)O ZINC000440715935 387680690 /nfs/dbraw/zinc/68/06/90/387680690.db2.gz UFZBTADMVANPAK-JTQLQIEISA-N 1 2 244.314 0.839 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376957921 387681889 /nfs/dbraw/zinc/68/18/89/387681889.db2.gz MJXOOQLNKLUAHO-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO CCn1cc(C[NH2+]Cc2cnn(CC)n2)cn1 ZINC000527732579 387683137 /nfs/dbraw/zinc/68/31/37/387683137.db2.gz AZUBJGUHXRTZGV-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000363037647 387687726 /nfs/dbraw/zinc/68/77/26/387687726.db2.gz KMHZJKZELMYNSG-SECBINFHSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000363037647 387687731 /nfs/dbraw/zinc/68/77/31/387687731.db2.gz KMHZJKZELMYNSG-SECBINFHSA-N 1 2 245.286 0.431 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123790 387691046 /nfs/dbraw/zinc/69/10/46/387691046.db2.gz IUQRQQQVZGTWQC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123790 387691048 /nfs/dbraw/zinc/69/10/48/387691048.db2.gz IUQRQQQVZGTWQC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248976315 387744146 /nfs/dbraw/zinc/74/41/46/387744146.db2.gz UOSPRQAIHPULBW-KCJUWKMLSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248976315 387744154 /nfs/dbraw/zinc/74/41/54/387744154.db2.gz UOSPRQAIHPULBW-KCJUWKMLSA-N 1 2 243.307 0.071 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000377719940 387744302 /nfs/dbraw/zinc/74/43/02/387744302.db2.gz QTNPXTBVKQGTAB-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCCN(C)C(=O)C1 ZINC000377719940 387744308 /nfs/dbraw/zinc/74/43/08/387744308.db2.gz QTNPXTBVKQGTAB-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO Cc1oncc1C[N@@H+]1CCNC(=O)CC1 ZINC000128503501 387747230 /nfs/dbraw/zinc/74/72/30/387747230.db2.gz HCBYHXWYUINGMW-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1oncc1C[N@H+]1CCNC(=O)CC1 ZINC000128503501 387747235 /nfs/dbraw/zinc/74/72/35/387747235.db2.gz HCBYHXWYUINGMW-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1nnc[nH]1 ZINC000267741747 387747560 /nfs/dbraw/zinc/74/75/60/387747560.db2.gz OVQVKIWIJUVXPM-HTQZYQBOSA-N 1 2 223.280 0.076 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1nnc[nH]1 ZINC000267741747 387747566 /nfs/dbraw/zinc/74/75/66/387747566.db2.gz OVQVKIWIJUVXPM-HTQZYQBOSA-N 1 2 223.280 0.076 20 0 BCADLO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccn[nH]3)C2)n1 ZINC000377797364 387749888 /nfs/dbraw/zinc/74/98/88/387749888.db2.gz VFZIHPMYOQWJFT-NSHDSACASA-N 1 2 246.318 0.512 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H](CO)C1CC1 ZINC000356943524 387751135 /nfs/dbraw/zinc/75/11/35/387751135.db2.gz BRDWBPNZQCJOLD-SECBINFHSA-N 1 2 247.302 0.794 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000452148179 387754252 /nfs/dbraw/zinc/75/42/52/387754252.db2.gz DJLAMPCPFFHTGU-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000452148179 387754260 /nfs/dbraw/zinc/75/42/60/387754260.db2.gz DJLAMPCPFFHTGU-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO COC[C@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000432109692 387754588 /nfs/dbraw/zinc/75/45/88/387754588.db2.gz UBRZNFQCKIRNOD-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000440778938 387697570 /nfs/dbraw/zinc/69/75/70/387697570.db2.gz MBWBRUDXVWBVEA-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000440778938 387697574 /nfs/dbraw/zinc/69/75/74/387697574.db2.gz MBWBRUDXVWBVEA-LPEHRKFASA-N 1 2 205.273 0.816 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000440779047 387697713 /nfs/dbraw/zinc/69/77/13/387697713.db2.gz FRUQGXLQWZRVDI-MNOVXSKESA-N 1 2 232.299 0.571 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000440779047 387697719 /nfs/dbraw/zinc/69/77/19/387697719.db2.gz FRUQGXLQWZRVDI-MNOVXSKESA-N 1 2 232.299 0.571 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440786491 387699042 /nfs/dbraw/zinc/69/90/42/387699042.db2.gz SCEKMVKHMUSFPJ-RKDXNWHRSA-N 1 2 228.271 0.060 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000440786491 387699048 /nfs/dbraw/zinc/69/90/48/387699048.db2.gz SCEKMVKHMUSFPJ-RKDXNWHRSA-N 1 2 228.271 0.060 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)nc1 ZINC000441385975 387754976 /nfs/dbraw/zinc/75/49/76/387754976.db2.gz OJWBWCZGAHQBGQ-ONGXEEELSA-N 1 2 234.303 0.399 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cn(C)nc2C)n1 ZINC000527737814 387703879 /nfs/dbraw/zinc/70/38/79/387703879.db2.gz XSHMPMQRBMCCJH-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000377251971 387705232 /nfs/dbraw/zinc/70/52/32/387705232.db2.gz AIXZDKZMXWXZHY-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCOC(C)(C)C1 ZINC000377251971 387705236 /nfs/dbraw/zinc/70/52/36/387705236.db2.gz AIXZDKZMXWXZHY-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CC(OC(F)F)C1 ZINC000356731790 387710764 /nfs/dbraw/zinc/71/07/64/387710764.db2.gz VULRJLFTAZKPDT-UHFFFAOYSA-N 1 2 245.229 0.792 20 0 BCADLO C[N@H+](CCCO)Cc1nnc(C2CC2)[nH]1 ZINC000440956187 387715261 /nfs/dbraw/zinc/71/52/61/387715261.db2.gz UCGHHQDWVVXPMU-UHFFFAOYSA-N 1 2 210.281 0.496 20 0 BCADLO C[N@@H+](CCCO)Cc1nnc(C2CC2)[nH]1 ZINC000440956187 387715267 /nfs/dbraw/zinc/71/52/67/387715267.db2.gz UCGHHQDWVVXPMU-UHFFFAOYSA-N 1 2 210.281 0.496 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC12CC(C1)CO2 ZINC000527790933 387718022 /nfs/dbraw/zinc/71/80/22/387718022.db2.gz WTTNFRQGCUPGRH-UHFFFAOYSA-N 1 2 207.277 0.987 20 0 BCADLO CSCC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377435492 387720843 /nfs/dbraw/zinc/72/08/43/387720843.db2.gz LMBBZLUQRDLTBL-UHFFFAOYSA-N 1 2 249.299 0.964 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N(C)C1CC1 ZINC000367562897 387726977 /nfs/dbraw/zinc/72/69/77/387726977.db2.gz LRXUWQWCUUHYDG-YPMHNXCESA-N 1 2 239.363 0.791 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000527804123 387727177 /nfs/dbraw/zinc/72/71/77/387727177.db2.gz MPXAWJZUPJJEKX-QHOPCYEYSA-N 1 2 225.296 0.112 20 0 BCADLO CC(C)(O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000309434903 387729298 /nfs/dbraw/zinc/72/92/98/387729298.db2.gz YEXFMJCXSXRHNV-UHFFFAOYSA-N 1 2 225.292 0.549 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nccn2cnnc12 ZINC000356869280 387736369 /nfs/dbraw/zinc/73/63/69/387736369.db2.gz UTHVQVMXECXVIH-UHFFFAOYSA-N 1 2 229.247 0.484 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000431867461 387736553 /nfs/dbraw/zinc/73/65/53/387736553.db2.gz ZLDQFZSJWVZNBT-SECBINFHSA-N 1 2 225.292 0.538 20 0 BCADLO CC[C@H](CCO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000431867461 387736559 /nfs/dbraw/zinc/73/65/59/387736559.db2.gz ZLDQFZSJWVZNBT-SECBINFHSA-N 1 2 225.292 0.538 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)nn1 ZINC000377693271 387739594 /nfs/dbraw/zinc/73/95/94/387739594.db2.gz KDKJPLKTURWAIT-NSHDSACASA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)nn1 ZINC000377693271 387739597 /nfs/dbraw/zinc/73/95/97/387739597.db2.gz KDKJPLKTURWAIT-NSHDSACASA-N 1 2 236.319 0.816 20 0 BCADLO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378113672 387764979 /nfs/dbraw/zinc/76/49/79/387764979.db2.gz JMEZPVZDGLYWAQ-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO COC[C@@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000432170270 387769991 /nfs/dbraw/zinc/76/99/91/387769991.db2.gz RHAMRBHRUIZNEJ-QMMMGPOBSA-N 1 2 233.275 0.588 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nc(C(N)=O)cs1 ZINC000432308275 387779305 /nfs/dbraw/zinc/77/93/05/387779305.db2.gz RBTLVEBVTPCUKE-UHFFFAOYSA-N 1 2 237.288 0.602 20 0 BCADLO CCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000378480073 387783186 /nfs/dbraw/zinc/78/31/86/387783186.db2.gz DTRMMFDDLGGDAI-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000378480073 387783191 /nfs/dbraw/zinc/78/31/91/387783191.db2.gz DTRMMFDDLGGDAI-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378432299 387785166 /nfs/dbraw/zinc/78/51/66/387785166.db2.gz HHLMWPNXMZWSMC-MRVPVSSYSA-N 1 2 209.249 0.720 20 0 BCADLO CC[C@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000192859840 387785778 /nfs/dbraw/zinc/78/57/78/387785778.db2.gz QXCSKXCHIKNBFZ-JTQLQIEISA-N 1 2 245.319 0.723 20 0 BCADLO CCOCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000378480071 387786013 /nfs/dbraw/zinc/78/60/13/387786013.db2.gz DTRMMFDDLGGDAI-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000378480071 387786020 /nfs/dbraw/zinc/78/60/20/387786020.db2.gz DTRMMFDDLGGDAI-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)o1 ZINC000193609695 387797602 /nfs/dbraw/zinc/79/76/02/387797602.db2.gz JWTWHGYXPRCJIX-XVKPBYJWSA-N 1 2 223.276 0.597 20 0 BCADLO C(C[N@@H+]1CCOC[C@]12CCOC2)OCC1CC1 ZINC000193666663 387803074 /nfs/dbraw/zinc/80/30/74/387803074.db2.gz JNUSEPXVJJNRDW-CYBMUJFWSA-N 1 2 241.331 0.904 20 0 BCADLO C(C[N@H+]1CCOC[C@]12CCOC2)OCC1CC1 ZINC000193666663 387803077 /nfs/dbraw/zinc/80/30/77/387803077.db2.gz JNUSEPXVJJNRDW-CYBMUJFWSA-N 1 2 241.331 0.904 20 0 BCADLO CC[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000442548094 387804950 /nfs/dbraw/zinc/80/49/50/387804950.db2.gz VPQLLZCUAMJROJ-ZETCQYMHSA-N 1 2 209.236 0.723 20 0 BCADLO CCNC(=O)CN(C)c1[nH+]cccc1OC ZINC000527853901 387757098 /nfs/dbraw/zinc/75/70/98/387757098.db2.gz RQXGHAIMTSFZKT-UHFFFAOYSA-N 1 2 223.276 0.663 20 0 BCADLO CNC(=O)[C@@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000528037474 387819963 /nfs/dbraw/zinc/81/99/63/387819963.db2.gz IXTOKLXSVNONOG-SECBINFHSA-N 1 2 235.287 0.663 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cncc(C)c1 ZINC000442674228 387821451 /nfs/dbraw/zinc/82/14/51/387821451.db2.gz BWZLPXVPRJFRSG-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cncc(C)c1 ZINC000442674228 387821453 /nfs/dbraw/zinc/82/14/53/387821453.db2.gz BWZLPXVPRJFRSG-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000432793909 387822635 /nfs/dbraw/zinc/82/26/35/387822635.db2.gz RCWDEATUVGLOCJ-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000432793909 387822639 /nfs/dbraw/zinc/82/26/39/387822639.db2.gz RCWDEATUVGLOCJ-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO COCCN1CC[N@H+](CC2=CCCC2)CC1=O ZINC000645844718 387823853 /nfs/dbraw/zinc/82/38/53/387823853.db2.gz KVGQDNKUWZUKIB-UHFFFAOYSA-N 1 2 238.331 0.887 20 0 BCADLO COCCN1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000645844718 387823856 /nfs/dbraw/zinc/82/38/56/387823856.db2.gz KVGQDNKUWZUKIB-UHFFFAOYSA-N 1 2 238.331 0.887 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC1(C)CCC1 ZINC000432827473 387830272 /nfs/dbraw/zinc/83/02/72/387830272.db2.gz CYIOACKXVJPUNS-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC1(C)CCC1 ZINC000432827473 387830275 /nfs/dbraw/zinc/83/02/75/387830275.db2.gz CYIOACKXVJPUNS-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cocn1 ZINC000432922120 387841303 /nfs/dbraw/zinc/84/13/03/387841303.db2.gz JXLYPWZKHRQJML-LLVKDONJSA-N 1 2 242.275 0.732 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)CC(=O)N(CC)CC ZINC000061679357 387841563 /nfs/dbraw/zinc/84/15/63/387841563.db2.gz ASYNCAZLCVMKCN-VIFPVBQESA-N 1 2 229.324 0.051 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)N(CC)CC ZINC000061679357 387841572 /nfs/dbraw/zinc/84/15/72/387841572.db2.gz ASYNCAZLCVMKCN-VIFPVBQESA-N 1 2 229.324 0.051 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cocn2)C[C@H]1OC ZINC000432928449 387842871 /nfs/dbraw/zinc/84/28/71/387842871.db2.gz RXFACTFNVVJKOR-NXEZZACHSA-N 1 2 212.249 0.520 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[S@](=O)C1 ZINC000433019026 387850885 /nfs/dbraw/zinc/85/08/85/387850885.db2.gz HYKKMCKFIFWTBO-PSLIRLAXSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[S@](=O)C1 ZINC000433019028 387851158 /nfs/dbraw/zinc/85/11/58/387851158.db2.gz HYKKMCKFIFWTBO-VFZGTOFNSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1CC[S@](=O)CCN1Cc1c[nH+]cn1C ZINC000433028018 387852094 /nfs/dbraw/zinc/85/20/94/387852094.db2.gz AXKMNOFRTINZAT-HWPZZCPQSA-N 1 2 241.360 0.763 20 0 BCADLO OC1(CC[NH2+]c2ccc(-n3cnnn3)cc2)CC1 ZINC000442853184 387852082 /nfs/dbraw/zinc/85/20/82/387852082.db2.gz LYLVWPFSVUXSIE-UHFFFAOYSA-N 1 2 245.286 0.989 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193722355 387862074 /nfs/dbraw/zinc/86/20/74/387862074.db2.gz DOBRYYVWKPXOKE-LLVKDONJSA-N 1 2 213.277 0.457 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000193722355 387862080 /nfs/dbraw/zinc/86/20/80/387862080.db2.gz DOBRYYVWKPXOKE-LLVKDONJSA-N 1 2 213.277 0.457 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)[C@@H](C)CO1 ZINC000249070431 387871058 /nfs/dbraw/zinc/87/10/58/387871058.db2.gz XWUJHYMIDJEQQV-IUCAKERBSA-N 1 2 247.302 0.977 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1O ZINC000432783127 387816292 /nfs/dbraw/zinc/81/62/92/387816292.db2.gz XXCRDSMIYKHSLG-DTWKUNHWSA-N 1 2 238.335 0.915 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1O ZINC000432783127 387816297 /nfs/dbraw/zinc/81/62/97/387816297.db2.gz XXCRDSMIYKHSLG-DTWKUNHWSA-N 1 2 238.335 0.915 20 0 BCADLO O=S1(=O)CCO[C@@H](CNc2cccc[nH+]2)C1 ZINC000309537061 387817786 /nfs/dbraw/zinc/81/77/86/387817786.db2.gz XFGNWBGZPPWXFG-VIFPVBQESA-N 1 2 242.300 0.307 20 0 BCADLO C[NH+](C)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442671178 387819588 /nfs/dbraw/zinc/81/95/88/387819588.db2.gz GXMNJZOBNCIJLR-UHFFFAOYSA-N 1 2 245.286 0.972 20 0 BCADLO C[N@H+](CCO)Cc1cnn(-c2ccccc2)n1 ZINC000076991366 387890175 /nfs/dbraw/zinc/89/01/75/387890175.db2.gz CIIJHGIXFPKOKR-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO C[N@@H+](CCO)Cc1cnn(-c2ccccc2)n1 ZINC000076991366 387890181 /nfs/dbraw/zinc/89/01/81/387890181.db2.gz CIIJHGIXFPKOKR-UHFFFAOYSA-N 1 2 232.287 0.691 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCO ZINC000645774261 387896335 /nfs/dbraw/zinc/89/63/35/387896335.db2.gz HTTUBTUSCJCQGQ-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCO ZINC000645774261 387896336 /nfs/dbraw/zinc/89/63/36/387896336.db2.gz HTTUBTUSCJCQGQ-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000194869942 387898287 /nfs/dbraw/zinc/89/82/87/387898287.db2.gz CKYZHMODRBYLFZ-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000194869942 387898289 /nfs/dbraw/zinc/89/82/89/387898289.db2.gz CKYZHMODRBYLFZ-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1cocn1 ZINC000582760069 387898707 /nfs/dbraw/zinc/89/87/07/387898707.db2.gz XWEZXKQYJVCSCF-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1cocn1 ZINC000582760069 387898717 /nfs/dbraw/zinc/89/87/17/387898717.db2.gz XWEZXKQYJVCSCF-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO [NH3+][C@H]1CCC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000423100269 387887887 /nfs/dbraw/zinc/88/78/87/387887887.db2.gz UZHYGJWXIURFPS-RYUDHWBXSA-N 1 2 209.337 0.718 20 0 BCADLO [NH3+][C@H]1CCC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000423100269 387887892 /nfs/dbraw/zinc/88/78/92/387887892.db2.gz UZHYGJWXIURFPS-RYUDHWBXSA-N 1 2 209.337 0.718 20 0 BCADLO CSCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194635540 387887957 /nfs/dbraw/zinc/88/79/57/387887957.db2.gz KQMAEEWTCZAJOT-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO CSCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194635540 387887962 /nfs/dbraw/zinc/88/79/62/387887962.db2.gz KQMAEEWTCZAJOT-VIFPVBQESA-N 1 2 232.349 0.186 20 0 BCADLO COCC(=O)N1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528357419 387907938 /nfs/dbraw/zinc/90/79/38/387907938.db2.gz SKRMINJIGVNJHW-KMKOMSMNSA-N 1 2 246.738 0.920 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC1(F)F ZINC000448711666 387909728 /nfs/dbraw/zinc/90/97/28/387909728.db2.gz WSUSLSAJVKEMFW-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO CC(C)c1nc(NC[C@H](O)CO)cc[nH+]1 ZINC000161945369 387916997 /nfs/dbraw/zinc/91/69/97/387916997.db2.gz GMNXRKNLHXIODB-QMMMGPOBSA-N 1 2 211.265 0.365 20 0 BCADLO Cc1[nH]ncc1C[N@H+](CCO)C1CCOCC1 ZINC000438335773 387921697 /nfs/dbraw/zinc/92/16/97/387921697.db2.gz HBWXMXWLSPWIPV-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](CCO)C1CCOCC1 ZINC000438335773 387921700 /nfs/dbraw/zinc/92/17/00/387921700.db2.gz HBWXMXWLSPWIPV-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO C[C@@H](CCCO)NC(=O)NCCn1cc[nH+]c1 ZINC000445594241 387951971 /nfs/dbraw/zinc/95/19/71/387951971.db2.gz RNZVWQQXQPFWNR-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000245384381 387943285 /nfs/dbraw/zinc/94/32/85/387943285.db2.gz VQARGKNNGFVFKE-MWLCHTKSSA-N 1 2 236.319 0.853 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000245384381 387943289 /nfs/dbraw/zinc/94/32/89/387943289.db2.gz VQARGKNNGFVFKE-MWLCHTKSSA-N 1 2 236.319 0.853 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000438544556 387943898 /nfs/dbraw/zinc/94/38/98/387943898.db2.gz JCTMIFCJFHSZNT-ZJUUUORDSA-N 1 2 234.307 0.751 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000245456376 387946420 /nfs/dbraw/zinc/94/64/20/387946420.db2.gz BHUAFDAXYZVRMH-WDEREUQCSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000245456376 387946426 /nfs/dbraw/zinc/94/64/26/387946426.db2.gz BHUAFDAXYZVRMH-WDEREUQCSA-N 1 2 228.336 0.962 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245564709 387962220 /nfs/dbraw/zinc/96/22/20/387962220.db2.gz QTORFVNONBZZJB-VXGBXAGGSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245564709 387962226 /nfs/dbraw/zinc/96/22/26/387962226.db2.gz QTORFVNONBZZJB-VXGBXAGGSA-N 1 2 248.330 0.961 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000245681135 387971788 /nfs/dbraw/zinc/97/17/88/387971788.db2.gz KLKGRLYTAPNDGA-ONGXEEELSA-N 1 2 234.303 0.478 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000245681135 387971793 /nfs/dbraw/zinc/97/17/93/387971793.db2.gz KLKGRLYTAPNDGA-ONGXEEELSA-N 1 2 234.303 0.478 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCc2ncsc2C1 ZINC000445861043 387974068 /nfs/dbraw/zinc/97/40/68/387974068.db2.gz ISUWFHGPYCVVKI-LURJTMIESA-N 1 2 211.290 0.375 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCc2ncsc2C1 ZINC000445861043 387974072 /nfs/dbraw/zinc/97/40/72/387974072.db2.gz ISUWFHGPYCVVKI-LURJTMIESA-N 1 2 211.290 0.375 20 0 BCADLO C[C@H](C[N@@H+]1CCO[C@@H](C)[C@H]1C)CS(C)(=O)=O ZINC000156508829 387987856 /nfs/dbraw/zinc/98/78/56/387987856.db2.gz VHYWGORWZILCCH-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1CCO[C@@H](C)[C@H]1C)CS(C)(=O)=O ZINC000156508829 387987858 /nfs/dbraw/zinc/98/78/58/387987858.db2.gz VHYWGORWZILCCH-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000446060978 387988948 /nfs/dbraw/zinc/98/89/48/387988948.db2.gz OGJMNPDPJGJEIM-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000446060978 387988952 /nfs/dbraw/zinc/98/89/52/387988952.db2.gz OGJMNPDPJGJEIM-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439279487 387990274 /nfs/dbraw/zinc/99/02/74/387990274.db2.gz ANDFXPJTGYVMSQ-GARJFASQSA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439279487 387990276 /nfs/dbraw/zinc/99/02/76/387990276.db2.gz ANDFXPJTGYVMSQ-GARJFASQSA-N 1 2 245.319 0.674 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000446068874 387991924 /nfs/dbraw/zinc/99/19/24/387991924.db2.gz GGIYITHMMHYZAJ-OUAUKWLOSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000446068874 387991927 /nfs/dbraw/zinc/99/19/27/387991927.db2.gz GGIYITHMMHYZAJ-OUAUKWLOSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000446068875 387992960 /nfs/dbraw/zinc/99/29/60/387992960.db2.gz GGIYITHMMHYZAJ-VWYCJHECSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000446068875 387992962 /nfs/dbraw/zinc/99/29/62/387992962.db2.gz GGIYITHMMHYZAJ-VWYCJHECSA-N 1 2 249.376 0.919 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@@H](O)C1 ZINC000439425617 387998797 /nfs/dbraw/zinc/99/87/97/387998797.db2.gz WZLVHKXUBYBYSN-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO CC(C)([NH3+])C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424374142 388000122 /nfs/dbraw/zinc/00/01/22/388000122.db2.gz YQCWBYWNASYSOK-MRVPVSSYSA-N 1 2 221.295 0.558 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)CCCOC ZINC000520794359 388001521 /nfs/dbraw/zinc/00/15/21/388001521.db2.gz ZUOOECUBXSRFPA-UHFFFAOYSA-N 1 2 241.339 0.942 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)CCCOC ZINC000520794359 388001524 /nfs/dbraw/zinc/00/15/24/388001524.db2.gz ZUOOECUBXSRFPA-UHFFFAOYSA-N 1 2 241.339 0.942 20 0 BCADLO COCCn1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000439530261 388008366 /nfs/dbraw/zinc/00/83/66/388008366.db2.gz PDTFSWAHKLUMRK-UHFFFAOYSA-N 1 2 249.274 0.183 20 0 BCADLO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC000082686909 388040558 /nfs/dbraw/zinc/04/05/58/388040558.db2.gz UWUNPKZMQCQVJV-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC000082686909 388040561 /nfs/dbraw/zinc/04/05/61/388040561.db2.gz UWUNPKZMQCQVJV-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000440495029 388044265 /nfs/dbraw/zinc/04/42/65/388044265.db2.gz KQLYTSDRDSDLJB-LPEHRKFASA-N 1 2 233.283 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000440495029 388044270 /nfs/dbraw/zinc/04/42/70/388044270.db2.gz KQLYTSDRDSDLJB-LPEHRKFASA-N 1 2 233.283 0.733 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000440530052 388053705 /nfs/dbraw/zinc/05/37/05/388053705.db2.gz ZLGLDERTIOSAQD-MNOVXSKESA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000440530052 388053708 /nfs/dbraw/zinc/05/37/08/388053708.db2.gz ZLGLDERTIOSAQD-MNOVXSKESA-N 1 2 218.316 0.733 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000083995454 388068105 /nfs/dbraw/zinc/06/81/05/388068105.db2.gz OYVABGDHDABATR-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCC[C@@H]1CO ZINC000083995454 388068106 /nfs/dbraw/zinc/06/81/06/388068106.db2.gz OYVABGDHDABATR-SNVBAGLBSA-N 1 2 224.308 0.645 20 0 BCADLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)cnn1C ZINC000084081674 388069687 /nfs/dbraw/zinc/06/96/87/388069687.db2.gz DOQJGKQHEMVFAA-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)cnn1C ZINC000084081674 388069691 /nfs/dbraw/zinc/06/96/91/388069691.db2.gz DOQJGKQHEMVFAA-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO COC(=O)C[N@H+](C)CC1(CC(=O)OC)CC1 ZINC000440699212 388069946 /nfs/dbraw/zinc/06/99/46/388069946.db2.gz BDJRFODGVSJIBH-UHFFFAOYSA-N 1 2 229.276 0.435 20 0 BCADLO COC(=O)C[N@@H+](C)CC1(CC(=O)OC)CC1 ZINC000440699212 388069949 /nfs/dbraw/zinc/06/99/49/388069949.db2.gz BDJRFODGVSJIBH-UHFFFAOYSA-N 1 2 229.276 0.435 20 0 BCADLO CC[C@@H](F)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000440701305 388070540 /nfs/dbraw/zinc/07/05/40/388070540.db2.gz KIPNQXDPOSAULK-RKDXNWHRSA-N 1 2 220.288 0.557 20 0 BCADLO CC[C@@H](F)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000440701305 388070543 /nfs/dbraw/zinc/07/05/43/388070543.db2.gz KIPNQXDPOSAULK-RKDXNWHRSA-N 1 2 220.288 0.557 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cncc(O)c1 ZINC000084081371 388070698 /nfs/dbraw/zinc/07/06/98/388070698.db2.gz XDAPLVPMPOAJQJ-UHFFFAOYSA-N 1 2 218.216 0.440 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000447731463 388089119 /nfs/dbraw/zinc/08/91/19/388089119.db2.gz UVCKSWCJRJHHLF-PWSUYJOCSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cn1 ZINC000447731463 388089121 /nfs/dbraw/zinc/08/91/21/388089121.db2.gz UVCKSWCJRJHHLF-PWSUYJOCSA-N 1 2 237.303 0.565 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nc1 ZINC000447800412 388094433 /nfs/dbraw/zinc/09/44/33/388094433.db2.gz SJMCVDZXERCGBP-SNVBAGLBSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)nc1 ZINC000447800412 388094436 /nfs/dbraw/zinc/09/44/36/388094436.db2.gz SJMCVDZXERCGBP-SNVBAGLBSA-N 1 2 221.304 0.988 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000447876904 388099564 /nfs/dbraw/zinc/09/95/64/388099564.db2.gz BUIJEXZAKZHLDJ-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000447876904 388099565 /nfs/dbraw/zinc/09/95/65/388099565.db2.gz BUIJEXZAKZHLDJ-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO CCOCCOCC(=O)NCCn1cc[nH+]c1 ZINC000056973169 388104168 /nfs/dbraw/zinc/10/41/68/388104168.db2.gz VWWSKGSVKRWTAY-UHFFFAOYSA-N 1 2 241.291 0.052 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H](CO)O1 ZINC000249384642 388110706 /nfs/dbraw/zinc/11/07/06/388110706.db2.gz QXWPCFNHAZARIX-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](CO)O1 ZINC000249384642 388110709 /nfs/dbraw/zinc/11/07/09/388110709.db2.gz QXWPCFNHAZARIX-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO Cn1nnc(C[N@H+](C)C2(C)CCCC2)n1 ZINC000440494900 388045024 /nfs/dbraw/zinc/04/50/24/388045024.db2.gz AOJYCNHLWNBIJS-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO Cn1nnc(C[N@@H+](C)C2(C)CCCC2)n1 ZINC000440494900 388045027 /nfs/dbraw/zinc/04/50/27/388045027.db2.gz AOJYCNHLWNBIJS-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO Cn1nnc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)n1 ZINC000440499656 388045091 /nfs/dbraw/zinc/04/50/91/388045091.db2.gz ACPSZSANKLUFNP-QWRGUYRKSA-N 1 2 237.307 0.257 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C[C@@H]1CCCO1 ZINC000440504518 388047776 /nfs/dbraw/zinc/04/77/76/388047776.db2.gz LWJZHTQLYVVVIH-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C[C@@H]1CCCO1 ZINC000440504518 388047783 /nfs/dbraw/zinc/04/77/83/388047783.db2.gz LWJZHTQLYVVVIH-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO CCOCCOC1C[NH+](C[C@@H](O)COCC)C1 ZINC000446995748 388048563 /nfs/dbraw/zinc/04/85/63/388048563.db2.gz FXCVZGBXNILAPH-LLVKDONJSA-N 1 2 247.335 0.121 20 0 BCADLO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171397 388159429 /nfs/dbraw/zinc/15/94/29/388159429.db2.gz GZFZAPFKDRGZHE-SNVBAGLBSA-N 1 2 245.286 0.894 20 0 BCADLO O=C([C@@H]1CCCOC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260768 388171778 /nfs/dbraw/zinc/17/17/78/388171778.db2.gz GKUKPDVIQVHCCA-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C([C@@H]1CCCOC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260768 388171781 /nfs/dbraw/zinc/17/17/81/388171781.db2.gz GKUKPDVIQVHCCA-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO Cc1nc(N2CCN(C(=O)N(C)C)CC2)cc[nH+]1 ZINC000172822494 388172737 /nfs/dbraw/zinc/17/27/37/388172737.db2.gz RCEIUQBMOYKUBV-UHFFFAOYSA-N 1 2 249.318 0.589 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260984 388172977 /nfs/dbraw/zinc/17/29/77/388172977.db2.gz VVJQYMFNUBIHKC-RKDXNWHRSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260984 388172978 /nfs/dbraw/zinc/17/29/78/388172978.db2.gz VVJQYMFNUBIHKC-RKDXNWHRSA-N 1 2 235.287 0.719 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccncc1F ZINC000449340358 388175990 /nfs/dbraw/zinc/17/59/90/388175990.db2.gz OCHXJIGHOKEDSG-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccncc1F ZINC000449340358 388175993 /nfs/dbraw/zinc/17/59/93/388175993.db2.gz OCHXJIGHOKEDSG-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc[nH]1 ZINC000456213480 388185826 /nfs/dbraw/zinc/18/58/26/388185826.db2.gz IFRAZSGEYRHKGR-PHIMTYICSA-N 1 2 249.314 0.608 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc[nH]1 ZINC000456213480 388185829 /nfs/dbraw/zinc/18/58/29/388185829.db2.gz IFRAZSGEYRHKGR-PHIMTYICSA-N 1 2 249.314 0.608 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nccc(C)n1 ZINC000646044366 388131108 /nfs/dbraw/zinc/13/11/08/388131108.db2.gz VTBCVNZLSPOUAV-NXEZZACHSA-N 1 2 223.276 0.288 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000646045337 388131563 /nfs/dbraw/zinc/13/15/63/388131563.db2.gz LQTMLWWFDOEZDW-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000646045337 388131565 /nfs/dbraw/zinc/13/15/65/388131565.db2.gz LQTMLWWFDOEZDW-SSDOTTSWSA-N 1 2 226.280 0.507 20 0 BCADLO COc1nccnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000449030176 388132876 /nfs/dbraw/zinc/13/28/76/388132876.db2.gz RDIGMDHLIJKNSP-JTQLQIEISA-N 1 2 237.303 0.954 20 0 BCADLO COc1nccnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000449030176 388132878 /nfs/dbraw/zinc/13/28/78/388132878.db2.gz RDIGMDHLIJKNSP-JTQLQIEISA-N 1 2 237.303 0.954 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]21 ZINC000151725970 388146200 /nfs/dbraw/zinc/14/62/00/388146200.db2.gz BAFCZEJCIJTJOP-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]21 ZINC000151725970 388146202 /nfs/dbraw/zinc/14/62/02/388146202.db2.gz BAFCZEJCIJTJOP-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1cn2ccccc2[nH+]1 ZINC000646121999 388146250 /nfs/dbraw/zinc/14/62/50/388146250.db2.gz IQMWADCGWRKTLZ-SNVBAGLBSA-N 1 2 244.298 0.954 20 0 BCADLO O=C(CC1CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000646120253 388146533 /nfs/dbraw/zinc/14/65/33/388146533.db2.gz WZYBALHQPDDAEV-GFCCVEGCSA-N 1 2 237.347 0.293 20 0 BCADLO O=C(CC1CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000646120253 388146534 /nfs/dbraw/zinc/14/65/34/388146534.db2.gz WZYBALHQPDDAEV-GFCCVEGCSA-N 1 2 237.347 0.293 20 0 BCADLO COC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449660041 388249764 /nfs/dbraw/zinc/24/97/64/388249764.db2.gz DQEPQQCWITTXQG-IUCAKERBSA-N 1 2 203.282 0.951 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937920 388252596 /nfs/dbraw/zinc/25/25/96/388252596.db2.gz GVOYUJXZULJDJM-DTWKUNHWSA-N 1 2 247.289 0.276 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937920 388252597 /nfs/dbraw/zinc/25/25/97/388252597.db2.gz GVOYUJXZULJDJM-DTWKUNHWSA-N 1 2 247.289 0.276 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cc[nH]n2)C[C@H]1OC ZINC000488590265 388190347 /nfs/dbraw/zinc/19/03/47/388190347.db2.gz ORBZSMYOMLNIAO-NXEZZACHSA-N 1 2 211.265 0.255 20 0 BCADLO COc1ccnc(NCCc2cn(C)c[nH+]2)n1 ZINC000313460611 256548579 /nfs/dbraw/zinc/54/85/79/256548579.db2.gz NBIXRDSKQDZCAE-UHFFFAOYSA-N 1 2 233.275 0.873 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000336662130 388259249 /nfs/dbraw/zinc/25/92/49/388259249.db2.gz SPMLWRATIPJAEC-WPRPVWTQSA-N 1 2 203.282 0.953 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000449508389 388221047 /nfs/dbraw/zinc/22/10/47/388221047.db2.gz HEABHWIUTPOYGX-VHSXEESVSA-N 1 2 243.303 0.871 20 0 BCADLO Cn1nnc(C[N@H+](C)[C@H](CO)CC(C)(C)C)n1 ZINC000449588936 388238701 /nfs/dbraw/zinc/23/87/01/388238701.db2.gz RGOMQVHFTNYFPR-VIFPVBQESA-N 1 2 241.339 0.439 20 0 BCADLO Cn1nnc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)n1 ZINC000449588936 388238704 /nfs/dbraw/zinc/23/87/04/388238704.db2.gz RGOMQVHFTNYFPR-VIFPVBQESA-N 1 2 241.339 0.439 20 0 BCADLO CCOC(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000449645951 388247870 /nfs/dbraw/zinc/24/78/70/388247870.db2.gz MAPZZXGFSZHEOF-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO CCOC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000449645951 388247871 /nfs/dbraw/zinc/24/78/71/388247871.db2.gz MAPZZXGFSZHEOF-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451648130 388286434 /nfs/dbraw/zinc/28/64/34/388286434.db2.gz OFPQCLWMUWESKF-VIFPVBQESA-N 1 2 215.318 0.987 20 0 BCADLO COC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451648130 388286435 /nfs/dbraw/zinc/28/64/35/388286435.db2.gz OFPQCLWMUWESKF-VIFPVBQESA-N 1 2 215.318 0.987 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451828763 388298816 /nfs/dbraw/zinc/29/88/16/388298816.db2.gz HZSOPQCNXJCSLG-IUCAKERBSA-N 1 2 225.279 0.951 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451828763 388298818 /nfs/dbraw/zinc/29/88/18/388298818.db2.gz HZSOPQCNXJCSLG-IUCAKERBSA-N 1 2 225.279 0.951 20 0 BCADLO CSC[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451825010 388298910 /nfs/dbraw/zinc/29/89/10/388298910.db2.gz CTYHOKHPBMMUBY-SFYZADRCSA-N 1 2 243.319 0.658 20 0 BCADLO CSC[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451825010 388298911 /nfs/dbraw/zinc/29/89/11/388298911.db2.gz CTYHOKHPBMMUBY-SFYZADRCSA-N 1 2 243.319 0.658 20 0 BCADLO CCOC(=O)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451830058 388299395 /nfs/dbraw/zinc/29/93/95/388299395.db2.gz HBIFSLNPIDUGRR-QMMMGPOBSA-N 1 2 239.262 0.888 20 0 BCADLO CCOC(=O)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451830058 388299397 /nfs/dbraw/zinc/29/93/97/388299397.db2.gz HBIFSLNPIDUGRR-QMMMGPOBSA-N 1 2 239.262 0.888 20 0 BCADLO CC[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451847468 388300622 /nfs/dbraw/zinc/30/06/22/388300622.db2.gz HWYOYTPEFLZRGM-HTQZYQBOSA-N 1 2 211.252 0.705 20 0 BCADLO CC[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451847468 388300623 /nfs/dbraw/zinc/30/06/23/388300623.db2.gz HWYOYTPEFLZRGM-HTQZYQBOSA-N 1 2 211.252 0.705 20 0 BCADLO Cn1c[nH+]cc1C[S@@](=O)C[C@@H]1CCCO1 ZINC000491614303 388304815 /nfs/dbraw/zinc/30/48/15/388304815.db2.gz ZJVZKPXLOXMCQS-ZUZCIYMTSA-N 1 2 228.317 0.848 20 0 BCADLO O=C(/C=C/C1CCOCC1)NCCn1cc[nH+]c1 ZINC000491790780 388321311 /nfs/dbraw/zinc/32/13/11/388321311.db2.gz BDAQETHSOBIELA-OWOJBTEDSA-N 1 2 249.314 0.982 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C\C1CC1 ZINC000491945516 388329172 /nfs/dbraw/zinc/32/91/72/388329172.db2.gz NXIZCTXQDNTAFI-WYGGZMRJSA-N 1 2 238.331 0.790 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C\C2CC2)C1 ZINC000491948621 388329232 /nfs/dbraw/zinc/32/92/32/388329232.db2.gz KJICWZVYUBEGDG-FJOGCWAESA-N 1 2 237.347 0.315 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C\C2CC2)C1 ZINC000491948621 388329233 /nfs/dbraw/zinc/32/92/33/388329233.db2.gz KJICWZVYUBEGDG-FJOGCWAESA-N 1 2 237.347 0.315 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000163343543 388261501 /nfs/dbraw/zinc/26/15/01/388261501.db2.gz ODLWMTPWJZVHJD-UWVGGRQHSA-N 1 2 209.293 0.967 20 0 BCADLO CC[N@H+](CCn1cc(C)cn1)CC(=O)OC ZINC000336663433 388262265 /nfs/dbraw/zinc/26/22/65/388262265.db2.gz CLIZNYNRJYVBGQ-UHFFFAOYSA-N 1 2 225.292 0.686 20 0 BCADLO CC[N@@H+](CCn1cc(C)cn1)CC(=O)OC ZINC000336663433 388262267 /nfs/dbraw/zinc/26/22/67/388262267.db2.gz CLIZNYNRJYVBGQ-UHFFFAOYSA-N 1 2 225.292 0.686 20 0 BCADLO CC(C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000170283342 388272743 /nfs/dbraw/zinc/27/27/43/388272743.db2.gz NCWKSDKUKHQMIY-UHFFFAOYSA-N 1 2 210.281 0.670 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451490142 388277225 /nfs/dbraw/zinc/27/72/25/388277225.db2.gz CWSYFMNVWNTKRJ-JMJZKYOTSA-N 1 2 225.288 0.707 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451507440 388278490 /nfs/dbraw/zinc/27/84/90/388278490.db2.gz WYXMKGYPAASMDB-QNSHHTMESA-N 1 2 215.293 0.809 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](C)O ZINC000492318800 388341372 /nfs/dbraw/zinc/34/13/72/388341372.db2.gz JOQFMAFBDRUIRC-WBSSQXGSSA-N 1 2 223.276 0.413 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](C)O ZINC000492318803 388341479 /nfs/dbraw/zinc/34/14/79/388341479.db2.gz JOQFMAFBDRUIRC-XRVBUDJMSA-N 1 2 223.276 0.413 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(CCO)C1 ZINC000492346361 388342170 /nfs/dbraw/zinc/34/21/70/388342170.db2.gz TXZNINWWGJGLMD-ARJAWSKDSA-N 1 2 249.314 0.757 20 0 BCADLO O=C1CCN(C[NH2+]Cc2nccs2)CC1 ZINC000275699378 388346359 /nfs/dbraw/zinc/34/63/59/388346359.db2.gz JIIZXTWMBDTEST-UHFFFAOYSA-N 1 2 225.317 0.855 20 0 BCADLO CC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000131697906 388350116 /nfs/dbraw/zinc/35/01/16/388350116.db2.gz MDELBHVHENMOFO-LLVKDONJSA-N 1 2 238.331 0.720 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524251967 388353382 /nfs/dbraw/zinc/35/33/82/388353382.db2.gz UXAXFLBNVJXRDH-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524251967 388353385 /nfs/dbraw/zinc/35/33/85/388353385.db2.gz UXAXFLBNVJXRDH-ZETCQYMHSA-N 1 2 240.225 0.515 20 0 BCADLO CN(CC1(CO)CC1)c1nc[nH+]c(N)c1Cl ZINC000277716887 388354423 /nfs/dbraw/zinc/35/44/23/388354423.db2.gz HKTPLXIXLDFNJS-UHFFFAOYSA-N 1 2 242.710 0.921 20 0 BCADLO CN(CC1(CO)CC1)c1[nH+]cnc(N)c1Cl ZINC000277716887 388354426 /nfs/dbraw/zinc/35/44/26/388354426.db2.gz HKTPLXIXLDFNJS-UHFFFAOYSA-N 1 2 242.710 0.921 20 0 BCADLO CN(CC(C)(C)O)c1nc[nH+]c(N)c1Cl ZINC000234282243 388354439 /nfs/dbraw/zinc/35/44/39/388354439.db2.gz LSAJDXVKIVTATB-UHFFFAOYSA-N 1 2 230.699 0.919 20 0 BCADLO CN(CC(C)(C)O)c1[nH+]cnc(N)c1Cl ZINC000234282243 388354441 /nfs/dbraw/zinc/35/44/41/388354441.db2.gz LSAJDXVKIVTATB-UHFFFAOYSA-N 1 2 230.699 0.919 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CO)C2)n1C ZINC000304311603 388357940 /nfs/dbraw/zinc/35/79/40/388357940.db2.gz QLOTWPRNTMFLTA-JTQLQIEISA-N 1 2 238.335 0.753 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CO)C2)n1C ZINC000304311603 388357943 /nfs/dbraw/zinc/35/79/43/388357943.db2.gz QLOTWPRNTMFLTA-JTQLQIEISA-N 1 2 238.335 0.753 20 0 BCADLO CN(C)c1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000163410799 388362257 /nfs/dbraw/zinc/36/22/57/388362257.db2.gz WTOCBLYTKJRWDT-UHFFFAOYSA-N 1 2 241.258 0.672 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230271309 388364740 /nfs/dbraw/zinc/36/47/40/388364740.db2.gz HUUGSECJHQUNEH-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230271309 388364743 /nfs/dbraw/zinc/36/47/43/388364743.db2.gz HUUGSECJHQUNEH-ZJUUUORDSA-N 1 2 224.308 0.501 20 0 BCADLO COCCc1noc(C[N@H+](C)C2CC2)n1 ZINC000171618045 388405197 /nfs/dbraw/zinc/40/51/97/388405197.db2.gz PPZWWSWQNNDTDI-UHFFFAOYSA-N 1 2 211.265 0.853 20 0 BCADLO COCCc1noc(C[N@@H+](C)C2CC2)n1 ZINC000171618045 388405201 /nfs/dbraw/zinc/40/52/01/388405201.db2.gz PPZWWSWQNNDTDI-UHFFFAOYSA-N 1 2 211.265 0.853 20 0 BCADLO C[C@@H](C[S@@](C)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235137497 388365308 /nfs/dbraw/zinc/36/53/08/388365308.db2.gz PKRZYNQWNQUKNN-AANKLQPISA-N 1 2 248.739 0.891 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)on1 ZINC000124838719 177758023 /nfs/dbraw/zinc/75/80/23/177758023.db2.gz UZXHLCWRZULFFR-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000235492694 388370370 /nfs/dbraw/zinc/37/03/70/388370370.db2.gz NLXAUYQDTYRAMK-ZCFIWIBFSA-N 1 2 203.192 0.653 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000353849997 388374250 /nfs/dbraw/zinc/37/42/50/388374250.db2.gz FWSOOMFSBFKUEC-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000353849997 388374252 /nfs/dbraw/zinc/37/42/52/388374252.db2.gz FWSOOMFSBFKUEC-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000355548216 388378357 /nfs/dbraw/zinc/37/83/57/388378357.db2.gz NDYUSPROLIQELU-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000355548216 388378358 /nfs/dbraw/zinc/37/83/58/388378358.db2.gz NDYUSPROLIQELU-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000572819699 388378612 /nfs/dbraw/zinc/37/86/12/388378612.db2.gz WJMFXUXZPONRJY-QMMMGPOBSA-N 1 2 238.295 0.403 20 0 BCADLO CCOC(=O)N[C@@H](C(=O)NCCC[NH3+])C(C)C ZINC000236917612 388386594 /nfs/dbraw/zinc/38/65/94/388386594.db2.gz YAWNLHIBHNKDSP-SECBINFHSA-N 1 2 245.323 0.222 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)CO ZINC000492280722 388340204 /nfs/dbraw/zinc/34/02/04/388340204.db2.gz YVQKJAWTLADIKZ-XRVBUDJMSA-N 1 2 223.276 0.413 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000246188090 388440260 /nfs/dbraw/zinc/44/02/60/388440260.db2.gz KIIBGJGMUZTXLF-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000246188090 388440261 /nfs/dbraw/zinc/44/02/61/388440261.db2.gz KIIBGJGMUZTXLF-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646735180 388444131 /nfs/dbraw/zinc/44/41/31/388444131.db2.gz UBBNUQRRPCTBQL-MNOVXSKESA-N 1 2 235.287 0.352 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ncccc1F ZINC000527271640 388456561 /nfs/dbraw/zinc/45/65/61/388456561.db2.gz PXZTXIMGDSXPOF-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000649201441 388457151 /nfs/dbraw/zinc/45/71/51/388457151.db2.gz MCZRPVSXZRSVOD-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000649201441 388457153 /nfs/dbraw/zinc/45/71/53/388457153.db2.gz MCZRPVSXZRSVOD-MWLCHTKSSA-N 1 2 237.303 0.714 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(F)(F)C1 ZINC000649215916 388459975 /nfs/dbraw/zinc/45/99/75/388459975.db2.gz RBFRWQZHIOJDEV-QMMMGPOBSA-N 1 2 241.241 0.923 20 0 BCADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(N)=O)CC2 ZINC000074448339 388461293 /nfs/dbraw/zinc/46/12/93/388461293.db2.gz STHXSTZENBAOBH-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(N)=O)CC2 ZINC000074448339 388461294 /nfs/dbraw/zinc/46/12/94/388461294.db2.gz STHXSTZENBAOBH-SECBINFHSA-N 1 2 234.299 0.927 20 0 BCADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(N)=O)CC2 ZINC000074448337 388461350 /nfs/dbraw/zinc/46/13/50/388461350.db2.gz STHXSTZENBAOBH-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(N)=O)CC2 ZINC000074448337 388461352 /nfs/dbraw/zinc/46/13/52/388461352.db2.gz STHXSTZENBAOBH-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO CC[C@](C)([NH2+]Cc1cn(C(C)C)nn1)C(N)=O ZINC000336709348 388466451 /nfs/dbraw/zinc/46/64/51/388466451.db2.gz OFCXYXYZXXNGDC-NSHDSACASA-N 1 2 239.323 0.603 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866728 388468452 /nfs/dbraw/zinc/46/84/52/388468452.db2.gz QABVYMTXWAZNST-SECBINFHSA-N 1 2 223.276 0.762 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866728 388468454 /nfs/dbraw/zinc/46/84/54/388468454.db2.gz QABVYMTXWAZNST-SECBINFHSA-N 1 2 223.276 0.762 20 0 BCADLO COCC[NH+]1CCN(C(=O)OC)CC1 ZINC000242795428 388474285 /nfs/dbraw/zinc/47/42/85/388474285.db2.gz FCCYLIHZMQSGJN-UHFFFAOYSA-N 1 2 202.254 0.017 20 0 BCADLO CCn1cc[nH+]c1CN1CCCC[C@H]1C(N)=O ZINC000195513868 388476034 /nfs/dbraw/zinc/47/60/34/388476034.db2.gz UUFAACPOXPRSDZ-JTQLQIEISA-N 1 2 236.319 0.743 20 0 BCADLO C[C@H](O)[C@H](C)[NH2+]Cc1nc(-c2ccncc2)n[nH]1 ZINC000516454441 388477693 /nfs/dbraw/zinc/47/76/93/388477693.db2.gz QANNVWYOMAZLPL-IUCAKERBSA-N 1 2 247.302 0.726 20 0 BCADLO Cc1ccnc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000174657378 388409592 /nfs/dbraw/zinc/40/95/92/388409592.db2.gz MJWBSKIBBWUABY-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000174657378 388409594 /nfs/dbraw/zinc/40/95/94/388409594.db2.gz MJWBSKIBBWUABY-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000166398793 388426378 /nfs/dbraw/zinc/42/63/78/388426378.db2.gz OPCZDRHODWEXAQ-JGVFFNPUSA-N 1 2 211.265 0.627 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000245838609 388431807 /nfs/dbraw/zinc/43/18/07/388431807.db2.gz FJZNUAGEQJCFBI-VXNVDRBHSA-N 1 2 238.291 0.464 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000245838609 388431810 /nfs/dbraw/zinc/43/18/10/388431810.db2.gz FJZNUAGEQJCFBI-VXNVDRBHSA-N 1 2 238.291 0.464 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000573217862 388432590 /nfs/dbraw/zinc/43/25/90/388432590.db2.gz SLLQTTOEXPEBAR-ONGXEEELSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCO1 ZINC000573217862 388432592 /nfs/dbraw/zinc/43/25/92/388432592.db2.gz SLLQTTOEXPEBAR-ONGXEEELSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000573217861 388433171 /nfs/dbraw/zinc/43/31/71/388433171.db2.gz SLLQTTOEXPEBAR-MWLCHTKSSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCO1 ZINC000573217861 388433173 /nfs/dbraw/zinc/43/31/73/388433173.db2.gz SLLQTTOEXPEBAR-MWLCHTKSSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000525971772 388433228 /nfs/dbraw/zinc/43/32/28/388433228.db2.gz LAZJMVGPZYNHTD-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000525971772 388433229 /nfs/dbraw/zinc/43/32/29/388433229.db2.gz LAZJMVGPZYNHTD-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000646727376 388434411 /nfs/dbraw/zinc/43/44/11/388434411.db2.gz SJTIVVGBUNRMAG-OUAUKWLOSA-N 1 2 247.298 0.445 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000514870303 256724565 /nfs/dbraw/zinc/72/45/65/256724565.db2.gz HOSKEQYFNJKRQQ-JOYOIKCWSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000514870303 256724566 /nfs/dbraw/zinc/72/45/66/256724566.db2.gz HOSKEQYFNJKRQQ-JOYOIKCWSA-N 1 2 238.287 0.369 20 0 BCADLO Cc1nc(C[NH2+][C@H](C)CS(C)(=O)=O)[nH]c1C ZINC000573267594 388436688 /nfs/dbraw/zinc/43/66/88/388436688.db2.gz MYFLBQYATAGSDI-SSDOTTSWSA-N 1 2 245.348 0.549 20 0 BCADLO Cc1[nH]c(CN[C@H](C)CS(C)(=O)=O)[nH+]c1C ZINC000573267594 388436689 /nfs/dbraw/zinc/43/66/89/388436689.db2.gz MYFLBQYATAGSDI-SSDOTTSWSA-N 1 2 245.348 0.549 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCn1cncn1 ZINC000298457548 388438628 /nfs/dbraw/zinc/43/86/28/388438628.db2.gz KAGWNUHCMOLALK-UHFFFAOYSA-N 1 2 244.262 0.067 20 0 BCADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)ncn1 ZINC000548460416 388541076 /nfs/dbraw/zinc/54/10/76/388541076.db2.gz GNDZWCXBPDYOLM-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000528519118 388541624 /nfs/dbraw/zinc/54/16/24/388541624.db2.gz SNBSKMBVFYRVAL-YPNJUMGQSA-N 1 2 232.711 0.705 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000528519118 388541626 /nfs/dbraw/zinc/54/16/26/388541626.db2.gz SNBSKMBVFYRVAL-YPNJUMGQSA-N 1 2 232.711 0.705 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000548519812 388545724 /nfs/dbraw/zinc/54/57/24/388545724.db2.gz JHSQFJPMTCIEIZ-AOOOYVTPSA-N 1 2 237.303 0.598 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548586418 388547191 /nfs/dbraw/zinc/54/71/91/388547191.db2.gz KIWNOTLVQPWQMN-ONGXEEELSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC000374075022 388483460 /nfs/dbraw/zinc/48/34/60/388483460.db2.gz PKAYXLVZYZZQDY-KWQFWETISA-N 1 2 239.319 0.781 20 0 BCADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC000374075022 388483462 /nfs/dbraw/zinc/48/34/62/388483462.db2.gz PKAYXLVZYZZQDY-KWQFWETISA-N 1 2 239.319 0.781 20 0 BCADLO C[C@H](CO)[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340200598 388488760 /nfs/dbraw/zinc/48/87/60/388488760.db2.gz PZBBWQWVYKJLGY-VXNVDRBHSA-N 1 2 238.316 0.926 20 0 BCADLO CCc1nc(C(=O)NCCc2c[nH+]cn2C)no1 ZINC000547828867 388489425 /nfs/dbraw/zinc/48/94/25/388489425.db2.gz CGLMUWJVOZOWJW-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000547929850 388495577 /nfs/dbraw/zinc/49/55/77/388495577.db2.gz RCTPAXMDKGOGKM-VIFPVBQESA-N 1 2 239.275 0.030 20 0 BCADLO CC(C)n1cc(C[NH2+][C@@]2(CO)CCOC2)nn1 ZINC000342140021 388496003 /nfs/dbraw/zinc/49/60/03/388496003.db2.gz DTQJUURJZBTZOV-LLVKDONJSA-N 1 2 240.307 0.100 20 0 BCADLO CC(C)n1cc(C[NH2+][C@]2(CO)CCOC2)nn1 ZINC000342140022 388496836 /nfs/dbraw/zinc/49/68/36/388496836.db2.gz DTQJUURJZBTZOV-NSHDSACASA-N 1 2 240.307 0.100 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc([S@](C)=O)cc1 ZINC000178423913 388499324 /nfs/dbraw/zinc/49/93/24/388499324.db2.gz PWEPSWRKLYHHHW-INIZCTEOSA-N 1 2 240.328 0.341 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc([S@](C)=O)cc1 ZINC000178423913 388499326 /nfs/dbraw/zinc/49/93/26/388499326.db2.gz PWEPSWRKLYHHHW-INIZCTEOSA-N 1 2 240.328 0.341 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)CC12CC2 ZINC000547970339 388499374 /nfs/dbraw/zinc/49/93/74/388499374.db2.gz DQJXJHPBHAVHLG-SECBINFHSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CC12CC2 ZINC000547970339 388499376 /nfs/dbraw/zinc/49/93/76/388499376.db2.gz DQJXJHPBHAVHLG-SECBINFHSA-N 1 2 235.287 0.904 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000343709169 388502108 /nfs/dbraw/zinc/50/21/08/388502108.db2.gz CVKAJEWLUULZSV-SNVBAGLBSA-N 1 2 217.240 0.470 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000343709169 388502109 /nfs/dbraw/zinc/50/21/09/388502109.db2.gz CVKAJEWLUULZSV-SNVBAGLBSA-N 1 2 217.240 0.470 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cn[nH]c1 ZINC000516783558 256802213 /nfs/dbraw/zinc/80/22/13/256802213.db2.gz IBSPUKZVECMBCV-VIFPVBQESA-N 1 2 236.319 0.929 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnn(C2CC2)c1 ZINC000528515983 388510183 /nfs/dbraw/zinc/51/01/83/388510183.db2.gz IHBMDJDJTMHCPO-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000345351908 388511728 /nfs/dbraw/zinc/51/17/28/388511728.db2.gz OUPTWUHGIYCSQD-VHSXEESVSA-N 1 2 236.319 0.831 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000345357111 388513007 /nfs/dbraw/zinc/51/30/07/388513007.db2.gz VISZSKRKZLULJV-SECBINFHSA-N 1 2 236.319 0.832 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cc[nH]c1 ZINC000548133175 388515321 /nfs/dbraw/zinc/51/53/21/388515321.db2.gz RWYMBXXUCXVZNS-UHFFFAOYSA-N 1 2 218.260 0.721 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000347317749 388522403 /nfs/dbraw/zinc/52/24/03/388522403.db2.gz UTIZAOMLVQONMK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000347317749 388522405 /nfs/dbraw/zinc/52/24/05/388522405.db2.gz UTIZAOMLVQONMK-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H]1CC[N@H+](CC2(CO)COC2)CC1(F)F ZINC000516920110 388525301 /nfs/dbraw/zinc/52/53/01/388525301.db2.gz FDLGZNAFBKNPQC-VIFPVBQESA-N 1 2 235.274 0.972 20 0 BCADLO C[C@H]1CC[N@@H+](CC2(CO)COC2)CC1(F)F ZINC000516920110 388525302 /nfs/dbraw/zinc/52/53/02/388525302.db2.gz FDLGZNAFBKNPQC-VIFPVBQESA-N 1 2 235.274 0.972 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000528441076 388526081 /nfs/dbraw/zinc/52/60/81/388526081.db2.gz JPPTULBRSBFZMH-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000528441076 388526086 /nfs/dbraw/zinc/52/60/86/388526086.db2.gz JPPTULBRSBFZMH-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528443607 388527295 /nfs/dbraw/zinc/52/72/95/388527295.db2.gz QVGJAUXDGCXKRB-PTDYZRSTSA-N 1 2 232.711 0.576 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528443607 388527298 /nfs/dbraw/zinc/52/72/98/388527298.db2.gz QVGJAUXDGCXKRB-PTDYZRSTSA-N 1 2 232.711 0.576 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548298495 388527315 /nfs/dbraw/zinc/52/73/15/388527315.db2.gz GIVONIAPKLAZIV-MRVPVSSYSA-N 1 2 223.276 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548298495 388527318 /nfs/dbraw/zinc/52/73/18/388527318.db2.gz GIVONIAPKLAZIV-MRVPVSSYSA-N 1 2 223.276 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528443604 388527888 /nfs/dbraw/zinc/52/78/88/388527888.db2.gz QVGJAUXDGCXKRB-CHDHTGKKSA-N 1 2 232.711 0.576 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528443604 388527892 /nfs/dbraw/zinc/52/78/92/388527892.db2.gz QVGJAUXDGCXKRB-CHDHTGKKSA-N 1 2 232.711 0.576 20 0 BCADLO CCn1cc(CC(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000548367376 388531495 /nfs/dbraw/zinc/53/14/95/388531495.db2.gz UBASTONQLXKCTK-UHFFFAOYSA-N 1 2 247.302 0.793 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528486226 388534608 /nfs/dbraw/zinc/53/46/08/388534608.db2.gz FJEJSSWJGRNCCD-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528486226 388534610 /nfs/dbraw/zinc/53/46/10/388534610.db2.gz FJEJSSWJGRNCCD-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529792883 388589627 /nfs/dbraw/zinc/58/96/27/388589627.db2.gz HGJJTGYOXMDMIQ-TVQRCGJNSA-N 1 2 249.314 0.944 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529792883 388589629 /nfs/dbraw/zinc/58/96/29/388589629.db2.gz HGJJTGYOXMDMIQ-TVQRCGJNSA-N 1 2 249.314 0.944 20 0 BCADLO C[C@H](c1cnccn1)[N@H+](C)CC(=O)N(C)C ZINC000184424955 256845275 /nfs/dbraw/zinc/84/52/75/256845275.db2.gz IHFWPDYPSVFJOR-SECBINFHSA-N 1 2 222.292 0.558 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+](C)CC(=O)N(C)C ZINC000184424955 256845277 /nfs/dbraw/zinc/84/52/77/256845277.db2.gz IHFWPDYPSVFJOR-SECBINFHSA-N 1 2 222.292 0.558 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC1 ZINC000170875121 388605302 /nfs/dbraw/zinc/60/53/02/388605302.db2.gz MGNJTXJILPNVRV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)NC1CC1 ZINC000170875121 388605304 /nfs/dbraw/zinc/60/53/04/388605304.db2.gz MGNJTXJILPNVRV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCSC1 ZINC000548722120 388555235 /nfs/dbraw/zinc/55/52/35/388555235.db2.gz NHVLSVMYEFAWDS-VIFPVBQESA-N 1 2 239.344 0.832 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC000528681704 388558401 /nfs/dbraw/zinc/55/84/01/388558401.db2.gz AWAKJJSXDSTLLB-VIFPVBQESA-N 1 2 224.264 0.122 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC000528681704 388558403 /nfs/dbraw/zinc/55/84/03/388558403.db2.gz AWAKJJSXDSTLLB-VIFPVBQESA-N 1 2 224.264 0.122 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)cn1 ZINC000528682763 388558730 /nfs/dbraw/zinc/55/87/30/388558730.db2.gz OWAFCKSEYVEYAG-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)cn1 ZINC000528682763 388558731 /nfs/dbraw/zinc/55/87/31/388558731.db2.gz OWAFCKSEYVEYAG-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000361065387 388559052 /nfs/dbraw/zinc/55/90/52/388559052.db2.gz JMTVBKWCGCMZQT-SECBINFHSA-N 1 2 245.273 0.870 20 0 BCADLO Cn1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000361065387 388559053 /nfs/dbraw/zinc/55/90/53/388559053.db2.gz JMTVBKWCGCMZQT-SECBINFHSA-N 1 2 245.273 0.870 20 0 BCADLO CCOC[C@@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000528725863 388561818 /nfs/dbraw/zinc/56/18/18/388561818.db2.gz VQRYQFHTESJNDB-JTQLQIEISA-N 1 2 233.308 0.343 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000528725863 388561821 /nfs/dbraw/zinc/56/18/21/388561821.db2.gz VQRYQFHTESJNDB-JTQLQIEISA-N 1 2 233.308 0.343 20 0 BCADLO CCOC[C@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000528725864 388562713 /nfs/dbraw/zinc/56/27/13/388562713.db2.gz VQRYQFHTESJNDB-SNVBAGLBSA-N 1 2 233.308 0.343 20 0 BCADLO CCOC[C@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000528725864 388562714 /nfs/dbraw/zinc/56/27/14/388562714.db2.gz VQRYQFHTESJNDB-SNVBAGLBSA-N 1 2 233.308 0.343 20 0 BCADLO CCOC[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000528722635 388562767 /nfs/dbraw/zinc/56/27/67/388562767.db2.gz IDNORMAKJBKVLJ-SNVBAGLBSA-N 1 2 231.292 0.097 20 0 BCADLO CCOC[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000528722635 388562768 /nfs/dbraw/zinc/56/27/68/388562768.db2.gz IDNORMAKJBKVLJ-SNVBAGLBSA-N 1 2 231.292 0.097 20 0 BCADLO CCOC[C@@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528731919 388563507 /nfs/dbraw/zinc/56/35/07/388563507.db2.gz LVLYUQMDDTUCDA-RYUDHWBXSA-N 1 2 245.319 0.064 20 0 BCADLO CCOC[C@@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528731919 388563510 /nfs/dbraw/zinc/56/35/10/388563510.db2.gz LVLYUQMDDTUCDA-RYUDHWBXSA-N 1 2 245.319 0.064 20 0 BCADLO CCOC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000528730264 388563799 /nfs/dbraw/zinc/56/37/99/388563799.db2.gz FRAGWVRFGPXMQJ-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCOC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000528730264 388563801 /nfs/dbraw/zinc/56/38/01/388563801.db2.gz FRAGWVRFGPXMQJ-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO Cc1nc(NC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000548816856 388564658 /nfs/dbraw/zinc/56/46/58/388564658.db2.gz HJCFNHDBGKGJET-UHFFFAOYSA-N 1 2 220.236 0.028 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cnccn1 ZINC000080980567 388564761 /nfs/dbraw/zinc/56/47/61/388564761.db2.gz IRHVNRMZROLADG-SECBINFHSA-N 1 2 208.265 0.172 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cnccn1 ZINC000080980567 388564763 /nfs/dbraw/zinc/56/47/63/388564763.db2.gz IRHVNRMZROLADG-SECBINFHSA-N 1 2 208.265 0.172 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000548929458 388569738 /nfs/dbraw/zinc/56/97/38/388569738.db2.gz YCGQYPMPMLPMDJ-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO CSCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368651541 388569918 /nfs/dbraw/zinc/56/99/18/388569918.db2.gz VDISOROEOCXQIY-ZETCQYMHSA-N 1 2 238.303 0.853 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787198 388573618 /nfs/dbraw/zinc/57/36/18/388573618.db2.gz HNMXDUQOYKSGNK-VIFPVBQESA-N 1 2 236.275 0.065 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787198 388573622 /nfs/dbraw/zinc/57/36/22/388573622.db2.gz HNMXDUQOYKSGNK-VIFPVBQESA-N 1 2 236.275 0.065 20 0 BCADLO Cc1cocc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000528881410 388580238 /nfs/dbraw/zinc/58/02/38/388580238.db2.gz XUOQFCHHTCMUPQ-NSHDSACASA-N 1 2 249.314 0.318 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2ncn(C)n2)c[nH+]1 ZINC000648986197 388678250 /nfs/dbraw/zinc/67/82/50/388678250.db2.gz YQFDMMDXMJVDCG-UHFFFAOYSA-N 1 2 248.290 0.209 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCOC1 ZINC000125815611 388678380 /nfs/dbraw/zinc/67/83/80/388678380.db2.gz NLLYXIMXLNKZIN-SECBINFHSA-N 1 2 223.276 0.415 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@@H+]1Cc2cccnc2C1 ZINC000551046354 388619815 /nfs/dbraw/zinc/61/98/15/388619815.db2.gz FRJLAUMSFKLZEX-GFCCVEGCSA-N 1 2 244.298 0.655 20 0 BCADLO O[C@@H](Cn1cccn1)C[N@H+]1Cc2cccnc2C1 ZINC000551046354 388619816 /nfs/dbraw/zinc/61/98/16/388619816.db2.gz FRJLAUMSFKLZEX-GFCCVEGCSA-N 1 2 244.298 0.655 20 0 BCADLO COC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000521682206 388624608 /nfs/dbraw/zinc/62/46/08/388624608.db2.gz GMPRAMKSCHXKNX-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000521682206 388624610 /nfs/dbraw/zinc/62/46/10/388624610.db2.gz GMPRAMKSCHXKNX-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO O=C1N[C@H](c2c[nH]c[nH+]2)N2CCCC[C@@H]12 ZINC000078757094 388684645 /nfs/dbraw/zinc/68/46/45/388684645.db2.gz XWCHBBDVTDEKKC-IUCAKERBSA-N 1 2 206.249 0.393 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190047030 388646379 /nfs/dbraw/zinc/64/63/79/388646379.db2.gz BJGKHQKKPOIHDY-LDYMZIIASA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190047030 388646381 /nfs/dbraw/zinc/64/63/81/388646381.db2.gz BJGKHQKKPOIHDY-LDYMZIIASA-N 1 2 209.293 0.921 20 0 BCADLO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ncc[nH]1 ZINC000328622389 388646764 /nfs/dbraw/zinc/64/67/64/388646764.db2.gz YDCDHLNFSWYBAG-SECBINFHSA-N 1 2 243.332 0.467 20 0 BCADLO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2nn[nH]c2c1 ZINC000128000696 388735154 /nfs/dbraw/zinc/73/51/54/388735154.db2.gz BYRVUHLSTIMERQ-QMMMGPOBSA-N 1 2 245.286 0.896 20 0 BCADLO CCC[C@](C)([NH2+]CC1(CO)COC1)C(=O)OC ZINC000089126653 388736400 /nfs/dbraw/zinc/73/64/00/388736400.db2.gz HKUCJENDXDIDHM-NSHDSACASA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522257951 388737457 /nfs/dbraw/zinc/73/74/57/388737457.db2.gz GDIZKAMVOITILN-JTQLQIEISA-N 1 2 223.276 0.691 20 0 BCADLO O=C(c1ccon1)N1CC(n2cc[nH+]c2)C1 ZINC000522258420 388737828 /nfs/dbraw/zinc/73/78/28/388737828.db2.gz UYZUHPKZINPUKX-UHFFFAOYSA-N 1 2 218.216 0.568 20 0 BCADLO Cn1cc[nH+]c1[C@H](CC(N)=O)C(F)(F)F ZINC000552916524 388740336 /nfs/dbraw/zinc/74/03/36/388740336.db2.gz UNOTVCGTHQOZKK-YFKPBYRVSA-N 1 2 221.182 0.941 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000128242441 388740736 /nfs/dbraw/zinc/74/07/36/388740736.db2.gz WYGRHGHXPXKFGT-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1oncc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000128242441 388740737 /nfs/dbraw/zinc/74/07/37/388740737.db2.gz WYGRHGHXPXKFGT-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO COc1ccc[nH+]c1NCCc1ncn(C)n1 ZINC000128205326 388741291 /nfs/dbraw/zinc/74/12/91/388741291.db2.gz PRLZQOCMYXFJHY-UHFFFAOYSA-N 1 2 233.275 0.873 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267338 388741837 /nfs/dbraw/zinc/74/18/37/388741837.db2.gz XICAXMGVSODTSF-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267338 388741839 /nfs/dbraw/zinc/74/18/39/388741839.db2.gz XICAXMGVSODTSF-VHSXEESVSA-N 1 2 246.376 0.575 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccn2)CCO1 ZINC000522268001 388742234 /nfs/dbraw/zinc/74/22/34/388742234.db2.gz MNKRZZOUGLSZEX-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccn2)CCO1 ZINC000522268001 388742236 /nfs/dbraw/zinc/74/22/36/388742236.db2.gz MNKRZZOUGLSZEX-LLVKDONJSA-N 1 2 249.314 0.532 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000553163631 388750380 /nfs/dbraw/zinc/75/03/80/388750380.db2.gz XUSMJXPDPZVYLR-SRVKXCTJSA-N 1 2 240.347 0.822 20 0 BCADLO Cc1[nH]nc(C(=O)N2CC(n3cc[nH+]c3)C2)c1C ZINC000522346543 388752479 /nfs/dbraw/zinc/75/24/79/388752479.db2.gz RRNDJKKBRSEIIL-UHFFFAOYSA-N 1 2 245.286 0.920 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccc(O)cc1O ZINC000227614353 388753544 /nfs/dbraw/zinc/75/35/44/388753544.db2.gz VXLAWAREGXZELI-UHFFFAOYSA-N 1 2 247.254 0.761 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)OCC1CC1 ZINC000192873331 388687876 /nfs/dbraw/zinc/68/78/76/388687876.db2.gz KZLJYFBPVMFFAD-UHFFFAOYSA-N 1 2 242.319 0.797 20 0 BCADLO CCCOCC(=O)NCCn1cc[nH+]c1 ZINC000065535397 388694601 /nfs/dbraw/zinc/69/46/01/388694601.db2.gz YBMNNTLHMLEFFS-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CCc1nc(C[N@H+](C[C@H](C)O)[C@H](C)CO)no1 ZINC000248937364 388700218 /nfs/dbraw/zinc/70/02/18/388700218.db2.gz NJNUOKLZXLKEOC-BDAKNGLRSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1nc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)no1 ZINC000248937364 388700221 /nfs/dbraw/zinc/70/02/21/388700221.db2.gz NJNUOKLZXLKEOC-BDAKNGLRSA-N 1 2 243.307 0.196 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000193332367 388700614 /nfs/dbraw/zinc/70/06/14/388700614.db2.gz NXEVAWZAYFFPCX-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](OC)C1 ZINC000193332367 388700616 /nfs/dbraw/zinc/70/06/16/388700616.db2.gz NXEVAWZAYFFPCX-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO COC[C@@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000227706620 388755942 /nfs/dbraw/zinc/75/59/42/388755942.db2.gz YHHIOGLMSIRDGS-SNVBAGLBSA-N 1 2 213.281 0.469 20 0 BCADLO CC[C@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC000249025847 388704606 /nfs/dbraw/zinc/70/46/06/388704606.db2.gz KYUDLIUBFSYDTH-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1CN(CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC000249025847 388704609 /nfs/dbraw/zinc/70/46/09/388704609.db2.gz KYUDLIUBFSYDTH-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO CSC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000249200011 388710721 /nfs/dbraw/zinc/71/07/21/388710721.db2.gz CSXCOBGGFOWMBE-NXEZZACHSA-N 1 2 249.376 0.982 20 0 BCADLO CSC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000249200011 388710723 /nfs/dbraw/zinc/71/07/23/388710723.db2.gz CSXCOBGGFOWMBE-NXEZZACHSA-N 1 2 249.376 0.982 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](C)[C@H]1C ZINC000249408076 388720330 /nfs/dbraw/zinc/72/03/30/388720330.db2.gz CPTFVYCFEQGWFH-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](C)[C@H]1C ZINC000249408076 388720331 /nfs/dbraw/zinc/72/03/31/388720331.db2.gz CPTFVYCFEQGWFH-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1OCCN(CC[N@@H+]2CCOC[C@@H]2C)[C@H]1C ZINC000249408074 388720340 /nfs/dbraw/zinc/72/03/40/388720340.db2.gz CPTFVYCFEQGWFH-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1OCCN(CC[N@H+]2CCOC[C@@H]2C)[C@H]1C ZINC000249408074 388720341 /nfs/dbraw/zinc/72/03/41/388720341.db2.gz CPTFVYCFEQGWFH-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)no1 ZINC000193977513 388720863 /nfs/dbraw/zinc/72/08/63/388720863.db2.gz ZECZGMAHBGJVGF-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)no1 ZINC000193977513 388720865 /nfs/dbraw/zinc/72/08/65/388720865.db2.gz ZECZGMAHBGJVGF-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)OC ZINC000249410771 388720983 /nfs/dbraw/zinc/72/09/83/388720983.db2.gz XUZUGSZJHCOUFU-UTLUCORTSA-N 1 2 242.319 0.572 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249438267 388721559 /nfs/dbraw/zinc/72/15/59/388721559.db2.gz SOXIWMBROLQQOG-ZWNOBZJWSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249438267 388721561 /nfs/dbraw/zinc/72/15/61/388721561.db2.gz SOXIWMBROLQQOG-ZWNOBZJWSA-N 1 2 236.315 0.972 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCCF)CCO1 ZINC000127651650 388729036 /nfs/dbraw/zinc/72/90/36/388729036.db2.gz WEKFQCVHDIQCJZ-MRVPVSSYSA-N 1 2 205.229 0.220 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCCF)CCO1 ZINC000127651650 388729040 /nfs/dbraw/zinc/72/90/40/388729040.db2.gz WEKFQCVHDIQCJZ-MRVPVSSYSA-N 1 2 205.229 0.220 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000522245356 388732635 /nfs/dbraw/zinc/73/26/35/388732635.db2.gz DTURTKSGNQRNCV-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000522245356 388732639 /nfs/dbraw/zinc/73/26/39/388732639.db2.gz DTURTKSGNQRNCV-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000128931246 388804746 /nfs/dbraw/zinc/80/47/46/388804746.db2.gz XNHIQWWWQBUYJS-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000128931246 388804751 /nfs/dbraw/zinc/80/47/51/388804751.db2.gz XNHIQWWWQBUYJS-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000230012024 388809972 /nfs/dbraw/zinc/80/99/72/388809972.db2.gz XFBRPXXOJKEFIO-BDAKNGLRSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000230012024 388809976 /nfs/dbraw/zinc/80/99/76/388809976.db2.gz XFBRPXXOJKEFIO-BDAKNGLRSA-N 1 2 228.317 0.725 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@H+]1C)C(C)C ZINC000334346126 135365831 /nfs/dbraw/zinc/36/58/31/135365831.db2.gz PUJSLWBCCMXQSK-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO C[C@@H](O)CCN(C)c1nc[nH+]c(N)c1Cl ZINC000227849444 388760284 /nfs/dbraw/zinc/76/02/84/388760284.db2.gz NXGNNBAPBMJEHU-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO C[C@@H](O)CCN(C)c1[nH+]cnc(N)c1Cl ZINC000227849444 388760289 /nfs/dbraw/zinc/76/02/89/388760289.db2.gz NXGNNBAPBMJEHU-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1C ZINC000252016345 388760896 /nfs/dbraw/zinc/76/08/96/388760896.db2.gz YFXWPRARBOPWQV-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1C ZINC000252016345 388760897 /nfs/dbraw/zinc/76/08/97/388760897.db2.gz YFXWPRARBOPWQV-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CC[C@@H]([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000228728278 388772979 /nfs/dbraw/zinc/77/29/79/388772979.db2.gz KRTHCIVHFVZKHK-RKDXNWHRSA-N 1 2 219.281 0.189 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000553544969 388781821 /nfs/dbraw/zinc/78/18/21/388781821.db2.gz NYFZONGHXZNFKV-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000553544969 388781824 /nfs/dbraw/zinc/78/18/24/388781824.db2.gz NYFZONGHXZNFKV-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](O)C2(C)C)C1 ZINC000564224752 388786070 /nfs/dbraw/zinc/78/60/70/388786070.db2.gz ONHPUYOKESEUQS-UWVGGRQHSA-N 1 2 240.347 0.604 20 0 BCADLO Cn1cnc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000554456912 388815370 /nfs/dbraw/zinc/81/53/70/388815370.db2.gz BRIUKRJKLBACOP-UHFFFAOYSA-N 1 2 234.263 0.455 20 0 BCADLO Cn1cnc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000554456912 388815373 /nfs/dbraw/zinc/81/53/73/388815373.db2.gz BRIUKRJKLBACOP-UHFFFAOYSA-N 1 2 234.263 0.455 20 0 BCADLO CCN1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000540902453 388824939 /nfs/dbraw/zinc/82/49/39/388824939.db2.gz YYRVIRBAVAVULW-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCc3n[nH]cc3C2)C1=O ZINC000540911504 388826678 /nfs/dbraw/zinc/82/66/78/388826678.db2.gz CPTRNUWGFCXPSX-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCc3n[nH]cc3C2)C1=O ZINC000540911504 388826680 /nfs/dbraw/zinc/82/66/80/388826680.db2.gz CPTRNUWGFCXPSX-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1C2CCC1CC2 ZINC000540960654 388830875 /nfs/dbraw/zinc/83/08/75/388830875.db2.gz OFUJYLFPELOKHL-ILDUYXDCSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1C2CCC1CC2 ZINC000540960654 388830878 /nfs/dbraw/zinc/83/08/78/388830878.db2.gz OFUJYLFPELOKHL-ILDUYXDCSA-N 1 2 224.304 0.470 20 0 BCADLO COC[C@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000230907829 388832028 /nfs/dbraw/zinc/83/20/28/388832028.db2.gz BXEDIVMEPZGFPM-VIFPVBQESA-N 1 2 211.265 0.594 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000554855345 388832450 /nfs/dbraw/zinc/83/24/50/388832450.db2.gz QEJAIRJBGYESFN-JTQLQIEISA-N 1 2 249.314 0.840 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000554855345 388832454 /nfs/dbraw/zinc/83/24/54/388832454.db2.gz QEJAIRJBGYESFN-JTQLQIEISA-N 1 2 249.314 0.840 20 0 BCADLO OCC[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000303215132 388853222 /nfs/dbraw/zinc/85/32/22/388853222.db2.gz BWRPHDIEBZVHIY-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO OCC[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000303215132 388853227 /nfs/dbraw/zinc/85/32/27/388853227.db2.gz BWRPHDIEBZVHIY-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000523692805 388853360 /nfs/dbraw/zinc/85/33/60/388853360.db2.gz MLNYGFAVKHRTJB-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000555669765 388859099 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388919571 /nfs/dbraw/zinc/91/95/71/388919571.db2.gz AXGVLZDLTJYXQL-UHFFFAOYSA-N 1 2 206.245 0.433 20 0 BCADLO CC(C)(CO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000565182253 388922365 /nfs/dbraw/zinc/92/23/65/388922365.db2.gz MHIKJKNPSATDGY-UHFFFAOYSA-N 1 2 247.298 0.969 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc[nH+]1 ZINC000565187042 388922976 /nfs/dbraw/zinc/92/29/76/388922976.db2.gz CQVPBTVGPMHLRQ-NXEZZACHSA-N 1 2 233.271 0.262 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(COC)CC1 ZINC000565212159 388925502 /nfs/dbraw/zinc/92/55/02/388925502.db2.gz GIFZBVUZYYMDGB-UHFFFAOYSA-N 1 2 237.303 0.946 20 0 BCADLO COCC1(O)CN(c2nc(C)[nH+]cc2C)C1 ZINC000565226179 388928650 /nfs/dbraw/zinc/92/86/50/388928650.db2.gz KUSOPNNWSPNPGT-UHFFFAOYSA-N 1 2 223.276 0.291 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CO)[C@@H](O)C1 ZINC000565609700 388958670 /nfs/dbraw/zinc/95/86/70/388958670.db2.gz QUTXLMRZOWEXRV-QWRGUYRKSA-N 1 2 237.303 0.273 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000572571480 388967352 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/nfs/dbraw/zinc/33/43/67/132334367.db2.gz XTHZBEXQVZXJHX-UHFFFAOYSA-N 1 2 249.314 0.260 20 0 BCADLO Cc1nc(N2C[C@@H](C)O[C@H](CO)C2)cc[nH+]1 ZINC000299918769 132362050 /nfs/dbraw/zinc/36/20/50/132362050.db2.gz VNNMAEAMSSQLHH-SCZZXKLOSA-N 1 2 223.276 0.371 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000044389370 322841802 /nfs/dbraw/zinc/84/18/02/322841802.db2.gz KOMHRZUMPPYKPK-UHFFFAOYSA-N 1 2 233.275 0.816 20 0 BCADLO COC(=O)c1cnoc1Cn1cc[nH+]c1 ZINC000349817463 133913894 /nfs/dbraw/zinc/91/38/94/133913894.db2.gz WQGVVDFMHSOVPZ-UHFFFAOYSA-N 1 2 207.189 0.706 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CC[S@@]1=O ZINC000351920305 134005847 /nfs/dbraw/zinc/00/58/47/134005847.db2.gz ZKIZTHNHJVSVNE-QFYYESIMSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[S@@]1=O ZINC000351920305 134005848 /nfs/dbraw/zinc/00/58/48/134005848.db2.gz ZKIZTHNHJVSVNE-QFYYESIMSA-N 1 2 244.360 0.062 20 0 BCADLO CC(=O)C1(C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000335930351 134010253 /nfs/dbraw/zinc/01/02/53/134010253.db2.gz OVUJDWOAFZUABP-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC(=O)N(C)C2)c[nH+]1 ZINC000335930153 134010288 /nfs/dbraw/zinc/01/02/88/134010288.db2.gz MJYXUVRQQUVXRJ-QMMMGPOBSA-N 1 2 236.275 0.069 20 0 BCADLO Cc1ccn2cc(CNC(N)=O)[nH+]c2c1 ZINC000335931501 134010983 /nfs/dbraw/zinc/01/09/83/134010983.db2.gz CPWSRUORESYAMN-UHFFFAOYSA-N 1 2 204.233 0.811 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000351993255 134032531 /nfs/dbraw/zinc/03/25/31/134032531.db2.gz IKGUXNURXBSBCV-NSHDSACASA-N 1 2 249.318 0.288 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000351993255 134032532 /nfs/dbraw/zinc/03/25/32/134032532.db2.gz IKGUXNURXBSBCV-NSHDSACASA-N 1 2 249.318 0.288 20 0 BCADLO C[C@H]1C[N@H+](CCn2cccn2)CC[S@@]1=O ZINC000336008874 134050553 /nfs/dbraw/zinc/05/05/53/134050553.db2.gz WMFCYGKSBGHLNV-BONVTDFDSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@H]1C[N@@H+](CCn2cccn2)CC[S@@]1=O ZINC000336008874 134050554 /nfs/dbraw/zinc/05/05/54/134050554.db2.gz WMFCYGKSBGHLNV-BONVTDFDSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000336039796 134061011 /nfs/dbraw/zinc/06/10/11/134061011.db2.gz DTBXXFWWUNCKGB-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)NCCO)cc2n1C ZINC000336064159 134069744 /nfs/dbraw/zinc/06/97/44/134069744.db2.gz ZRUOOGDAPLSCEO-UHFFFAOYSA-N 1 2 233.271 0.604 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)C[NH+]1CCOCC1 ZINC000336065420 134070319 /nfs/dbraw/zinc/07/03/19/134070319.db2.gz PBAGMSUDEVPWCY-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CCn1c(C)nnc1C[N@H+](CC)C[C@H](C)O ZINC000352195625 134099124 /nfs/dbraw/zinc/09/91/24/134099124.db2.gz SAUAEIFFQSVBQL-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](CC)C[C@H](C)O ZINC000352195625 134099125 /nfs/dbraw/zinc/09/91/25/134099125.db2.gz SAUAEIFFQSVBQL-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000336175502 134116649 /nfs/dbraw/zinc/11/66/49/134116649.db2.gz SCCRHIFAUKDUSX-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO CCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352283047 134129960 /nfs/dbraw/zinc/12/99/60/134129960.db2.gz ZTNPODPUMALIDV-SECBINFHSA-N 1 2 243.332 0.811 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCCCO2)CCN1C1CC1 ZINC000336208904 134133230 /nfs/dbraw/zinc/13/32/30/134133230.db2.gz CIGOHWUSIJLHDW-LBPRGKRZSA-N 1 2 238.331 0.862 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCCCO2)CCN1C1CC1 ZINC000336208904 134133231 /nfs/dbraw/zinc/13/32/31/134133231.db2.gz CIGOHWUSIJLHDW-LBPRGKRZSA-N 1 2 238.331 0.862 20 0 BCADLO Cn1cc[nH+]c1[C@@H](NS(C)(=O)=O)C1CC1 ZINC000352287849 134137620 /nfs/dbraw/zinc/13/76/20/134137620.db2.gz SRWMBLVTMMMNPK-QMMMGPOBSA-N 1 2 229.305 0.420 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@H](CO)OC[C@@H]1C ZINC000168640866 134236868 /nfs/dbraw/zinc/23/68/68/134236868.db2.gz WIMCUQUCKZPAKS-CMPLNLGQSA-N 1 2 239.319 0.485 20 0 BCADLO COCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249627 134252470 /nfs/dbraw/zinc/25/24/70/134252470.db2.gz MUFLPGCMNIJIEQ-VIFPVBQESA-N 1 2 223.276 0.208 20 0 BCADLO C[C@@H](NC(=O)NC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000170918647 134255207 /nfs/dbraw/zinc/25/52/07/134255207.db2.gz GCFAAJFHLSYFLL-ZJUUUORDSA-N 1 2 241.335 0.557 20 0 BCADLO COc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000171859259 134261589 /nfs/dbraw/zinc/26/15/89/134261589.db2.gz GPERMHLSPHXUFO-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO COc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000171859259 134261590 /nfs/dbraw/zinc/26/15/90/134261590.db2.gz GPERMHLSPHXUFO-JTQLQIEISA-N 1 2 235.287 0.540 20 0 BCADLO CC(C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174497213 134281958 /nfs/dbraw/zinc/28/19/58/134281958.db2.gz YASXPCKFLQRBMD-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000175917829 134288556 /nfs/dbraw/zinc/28/85/56/134288556.db2.gz RJFUSCAHLXWERK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000175917829 134288557 /nfs/dbraw/zinc/28/85/57/134288557.db2.gz RJFUSCAHLXWERK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO COc1ncccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000176818845 134294427 /nfs/dbraw/zinc/29/44/27/134294427.db2.gz ISEUXGIYIYDGIE-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO COc1ncccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000176818845 134294428 /nfs/dbraw/zinc/29/44/28/134294428.db2.gz ISEUXGIYIYDGIE-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cncs1 ZINC000220005810 134298458 /nfs/dbraw/zinc/29/84/58/134298458.db2.gz WCFMMLNBXNLLMN-UHFFFAOYSA-N 1 2 222.273 0.839 20 0 BCADLO O=C(NCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178471093 134307060 /nfs/dbraw/zinc/30/70/60/134307060.db2.gz GNLXUBSAKFHYHN-SNVBAGLBSA-N 1 2 219.288 0.972 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178723629 134310448 /nfs/dbraw/zinc/31/04/48/134310448.db2.gz NCWZTQNERPVKQP-PWSUYJOCSA-N 1 2 237.347 0.149 20 0 BCADLO CC(C)CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178651926 134312623 /nfs/dbraw/zinc/31/26/23/134312623.db2.gz LIZQPSCOHUCRLU-LBPRGKRZSA-N 1 2 239.363 0.539 20 0 BCADLO CC(C)N(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178908963 134313317 /nfs/dbraw/zinc/31/33/17/134313317.db2.gz LGJJIBPMQYBRHG-LLVKDONJSA-N 1 2 240.351 0.036 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000179578844 134322027 /nfs/dbraw/zinc/32/20/27/134322027.db2.gz AIPRFRYCJIBSED-SNVBAGLBSA-N 1 2 248.282 0.865 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000179578844 134322028 /nfs/dbraw/zinc/32/20/28/134322028.db2.gz AIPRFRYCJIBSED-SNVBAGLBSA-N 1 2 248.282 0.865 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000221201548 134322334 /nfs/dbraw/zinc/32/23/34/134322334.db2.gz GQSHIMHEMYPNQX-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO OC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405142 134327031 /nfs/dbraw/zinc/32/70/31/134327031.db2.gz TXYBVKATUDGZKF-VIFPVBQESA-N 1 2 236.319 0.886 20 0 BCADLO OC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405142 134327032 /nfs/dbraw/zinc/32/70/32/134327032.db2.gz TXYBVKATUDGZKF-VIFPVBQESA-N 1 2 236.319 0.886 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405041 134327187 /nfs/dbraw/zinc/32/71/87/134327187.db2.gz KYBHPWQYLFQSKL-VIFPVBQESA-N 1 2 222.292 0.639 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000180405041 134327188 /nfs/dbraw/zinc/32/71/88/134327188.db2.gz KYBHPWQYLFQSKL-VIFPVBQESA-N 1 2 222.292 0.639 20 0 BCADLO CN1CC[C@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000181323862 134335688 /nfs/dbraw/zinc/33/56/88/134335688.db2.gz OEGFKPHUEMLOGH-BQBZGAKWSA-N 1 2 240.225 0.072 20 0 BCADLO CN1CC[C@H]([N@@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000181323862 134335689 /nfs/dbraw/zinc/33/56/89/134335689.db2.gz OEGFKPHUEMLOGH-BQBZGAKWSA-N 1 2 240.225 0.072 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000181743778 134338946 /nfs/dbraw/zinc/33/89/46/134338946.db2.gz VMKHUGSUZGISLN-GMSGAONNSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000181743778 134338947 /nfs/dbraw/zinc/33/89/47/134338947.db2.gz VMKHUGSUZGISLN-GMSGAONNSA-N 1 2 239.275 0.058 20 0 BCADLO COc1ncnc2c1C[N@H+](C[C@H](C)OC)CC2 ZINC000182107601 134341772 /nfs/dbraw/zinc/34/17/72/134341772.db2.gz MRVFXNGQERZORZ-VIFPVBQESA-N 1 2 237.303 0.878 20 0 BCADLO COc1ncnc2c1C[N@@H+](C[C@H](C)OC)CC2 ZINC000182107601 134341773 /nfs/dbraw/zinc/34/17/73/134341773.db2.gz MRVFXNGQERZORZ-VIFPVBQESA-N 1 2 237.303 0.878 20 0 BCADLO COCc1noc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000182208734 134342931 /nfs/dbraw/zinc/34/29/31/134342931.db2.gz CUHTWUNVIZEPJV-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000182208734 134342932 /nfs/dbraw/zinc/34/29/32/134342932.db2.gz CUHTWUNVIZEPJV-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC000182217898 134343276 /nfs/dbraw/zinc/34/32/76/134343276.db2.gz XHVFMVKPVOZKGI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC000182217898 134343277 /nfs/dbraw/zinc/34/32/77/134343277.db2.gz XHVFMVKPVOZKGI-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000182270857 134343453 /nfs/dbraw/zinc/34/34/53/134343453.db2.gz VPWGBDCUYVTHQJ-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1C ZINC000182270857 134343454 /nfs/dbraw/zinc/34/34/54/134343454.db2.gz VPWGBDCUYVTHQJ-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO O=C(COCC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000224928362 134352299 /nfs/dbraw/zinc/35/22/99/134352299.db2.gz YQDCEYUOTNZGPQ-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO O=C(COCC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000224928362 134352300 /nfs/dbraw/zinc/35/23/00/134352300.db2.gz YQDCEYUOTNZGPQ-UHFFFAOYSA-N 1 2 237.181 0.605 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184833977 134369444 /nfs/dbraw/zinc/36/94/44/134369444.db2.gz IFQVHBMOYUBNFB-LPEHRKFASA-N 1 2 242.319 0.572 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000227032183 134373828 /nfs/dbraw/zinc/37/38/28/134373828.db2.gz TWHMSSWSNLNLLK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000227032183 134373829 /nfs/dbraw/zinc/37/38/29/134373829.db2.gz TWHMSSWSNLNLLK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211852 134374895 /nfs/dbraw/zinc/37/48/95/134374895.db2.gz ILXYZVCIWUVJQR-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211852 134374896 /nfs/dbraw/zinc/37/48/96/134374896.db2.gz ILXYZVCIWUVJQR-LBPRGKRZSA-N 1 2 242.319 0.004 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000185241717 134375458 /nfs/dbraw/zinc/37/54/58/134375458.db2.gz DYCBTYYSRJQUDT-MRVPVSSYSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000185241717 134375459 /nfs/dbraw/zinc/37/54/59/134375459.db2.gz DYCBTYYSRJQUDT-MRVPVSSYSA-N 1 2 226.280 0.092 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000227426999 134380301 /nfs/dbraw/zinc/38/03/01/134380301.db2.gz HWMMQSYLXGVOQF-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000227426999 134380302 /nfs/dbraw/zinc/38/03/02/134380302.db2.gz HWMMQSYLXGVOQF-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO COC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227767111 134393125 /nfs/dbraw/zinc/39/31/25/134393125.db2.gz KKNKHWNYTKNGIR-IONNQARKSA-N 1 2 201.266 0.563 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCn1cc(C)cn1)C1CC1 ZINC000227770066 134393987 /nfs/dbraw/zinc/39/39/87/134393987.db2.gz YULPFYCNOHZQNK-NSHDSACASA-N 1 2 237.303 0.733 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185906142 134396419 /nfs/dbraw/zinc/39/64/19/134396419.db2.gz ZQQWKVMJHKXYDW-GFCCVEGCSA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185906142 134396421 /nfs/dbraw/zinc/39/64/21/134396421.db2.gz ZQQWKVMJHKXYDW-GFCCVEGCSA-N 1 2 241.335 0.241 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCC(OC)CC1)[C@@H](C)O ZINC000191964724 134578269 /nfs/dbraw/zinc/57/82/69/134578269.db2.gz FNKWOXONXGBKNT-SFXRXQKFSA-N 1 2 245.319 0.456 20 0 BCADLO C[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000070245850 134912168 /nfs/dbraw/zinc/91/21/68/134912168.db2.gz NNDDIYPTSXZKNX-CYBMUJFWSA-N 1 2 246.310 0.764 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccon1 ZINC000070650815 135002813 /nfs/dbraw/zinc/00/28/13/135002813.db2.gz BYSXBQMBMQCHKH-UHFFFAOYSA-N 1 2 206.205 0.670 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccncc1 ZINC000070651472 135005715 /nfs/dbraw/zinc/00/57/15/135005715.db2.gz OKTWCOAAVIBEKA-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO CC[C@H]([NH2+]CC(=O)NC(N)=O)c1nccs1 ZINC000070732944 135010292 /nfs/dbraw/zinc/01/02/92/135010292.db2.gz WPEXADHTPUFONP-LURJTMIESA-N 1 2 242.304 0.379 20 0 BCADLO COCc1noc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000248459225 135011959 /nfs/dbraw/zinc/01/19/59/135011959.db2.gz NNGBFAWLDPAUHZ-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000248459225 135011962 /nfs/dbraw/zinc/01/19/62/135011962.db2.gz NNGBFAWLDPAUHZ-JGVFFNPUSA-N 1 2 229.280 0.590 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000070819701 135012706 /nfs/dbraw/zinc/01/27/06/135012706.db2.gz AFYXTZWIDZFWDE-SSDOTTSWSA-N 1 2 211.290 0.779 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248615030 135017147 /nfs/dbraw/zinc/01/71/47/135017147.db2.gz WWQCONDDDOCQPG-ZJUUUORDSA-N 1 2 240.307 0.339 20 0 BCADLO COC[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248615030 135017149 /nfs/dbraw/zinc/01/71/49/135017149.db2.gz WWQCONDDDOCQPG-ZJUUUORDSA-N 1 2 240.307 0.339 20 0 BCADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000248663695 135018600 /nfs/dbraw/zinc/01/86/00/135018600.db2.gz ZZOJSLQMBLFBQQ-JQWIXIFHSA-N 1 2 224.304 0.779 20 0 BCADLO C[C@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000248663695 135018602 /nfs/dbraw/zinc/01/86/02/135018602.db2.gz ZZOJSLQMBLFBQQ-JQWIXIFHSA-N 1 2 224.304 0.779 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000248755802 135020665 /nfs/dbraw/zinc/02/06/65/135020665.db2.gz CPTQOQMFBQPURW-AEJSXWLSSA-N 1 2 213.277 0.707 20 0 BCADLO C[C@@H]1COC[C@@H](C)N1CC[N@@H+]1CCOC[C@H]1C ZINC000249005988 135029163 /nfs/dbraw/zinc/02/91/63/135029163.db2.gz IATNQNRQLMQFKU-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COC[C@@H](C)N1CC[N@H+]1CCOC[C@H]1C ZINC000249005988 135029165 /nfs/dbraw/zinc/02/91/65/135029165.db2.gz IATNQNRQLMQFKU-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@H+](CCN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000249099714 135033035 /nfs/dbraw/zinc/03/30/35/135033035.db2.gz WCNXFOPSJQQGRR-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000249099714 135033037 /nfs/dbraw/zinc/03/30/37/135033037.db2.gz WCNXFOPSJQQGRR-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000249114401 135033390 /nfs/dbraw/zinc/03/33/90/135033390.db2.gz QGKVADAYTYQMRT-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000249114401 135033391 /nfs/dbraw/zinc/03/33/91/135033391.db2.gz QGKVADAYTYQMRT-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO O=C1NC2(CCCC2)C(=O)N1CCn1cc[nH+]c1 ZINC000076422017 135033876 /nfs/dbraw/zinc/03/38/76/135033876.db2.gz TWSHEFGDYNRESH-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCO1 ZINC000249369418 135037086 /nfs/dbraw/zinc/03/70/86/135037086.db2.gz NDDZQVFCYJSNHZ-VWYCJHECSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H]1CCCO1 ZINC000249369418 135037089 /nfs/dbraw/zinc/03/70/89/135037089.db2.gz NDDZQVFCYJSNHZ-VWYCJHECSA-N 1 2 243.303 0.164 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249293903 135042182 /nfs/dbraw/zinc/04/21/82/135042182.db2.gz APKHFPIUQUMNLD-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249293903 135042179 /nfs/dbraw/zinc/04/21/79/135042179.db2.gz APKHFPIUQUMNLD-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1C ZINC000248848350 135089293 /nfs/dbraw/zinc/08/92/93/135089293.db2.gz VJBLLGPCHLBMMG-BDAKNGLRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1C ZINC000248848350 135089294 /nfs/dbraw/zinc/08/92/94/135089294.db2.gz VJBLLGPCHLBMMG-BDAKNGLRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCC1=O ZINC000253336125 135126376 /nfs/dbraw/zinc/12/63/76/135126376.db2.gz YETOQLGFXPJZAH-UWVGGRQHSA-N 1 2 224.304 0.566 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCCCNC2=O)CCC1=O ZINC000253336125 135126377 /nfs/dbraw/zinc/12/63/77/135126377.db2.gz YETOQLGFXPJZAH-UWVGGRQHSA-N 1 2 224.304 0.566 20 0 BCADLO FC1(F)CCN(CC[NH+]2CCOCC2)C1 ZINC000259303333 135142849 /nfs/dbraw/zinc/14/28/49/135142849.db2.gz LRLMDICPEFETOV-UHFFFAOYSA-N 1 2 220.263 0.660 20 0 BCADLO CC[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000260699996 135148861 /nfs/dbraw/zinc/14/88/61/135148861.db2.gz VLKJIZIGEGLXIE-UHFFFAOYSA-N 1 2 209.249 0.574 20 0 BCADLO CC[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000260699996 135148862 /nfs/dbraw/zinc/14/88/62/135148862.db2.gz VLKJIZIGEGLXIE-UHFFFAOYSA-N 1 2 209.249 0.574 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528980 135154743 /nfs/dbraw/zinc/15/47/43/135154743.db2.gz YNYJZFMASQCHCO-FSDSQADBSA-N 1 2 204.220 0.508 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528981 135155385 /nfs/dbraw/zinc/15/53/85/135155385.db2.gz YNYJZFMASQCHCO-QYNIQEEDSA-N 1 2 204.220 0.508 20 0 BCADLO COCC[NH2+]Cc1nc(CC2CC2)no1 ZINC000087580165 135156336 /nfs/dbraw/zinc/15/63/36/135156336.db2.gz CBWLELSKMQSBMD-UHFFFAOYSA-N 1 2 211.265 0.758 20 0 BCADLO Nc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000261531767 135160893 /nfs/dbraw/zinc/16/08/93/135160893.db2.gz HUQDAJLVDDRIAW-BQBZGAKWSA-N 1 2 231.296 0.630 20 0 BCADLO Nc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000261531767 135160895 /nfs/dbraw/zinc/16/08/95/135160895.db2.gz HUQDAJLVDDRIAW-BQBZGAKWSA-N 1 2 231.296 0.630 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000084081620 135182082 /nfs/dbraw/zinc/18/20/82/135182082.db2.gz KGPPXSFXNMOLBL-ZETCQYMHSA-N 1 2 211.290 0.779 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000084081620 135182084 /nfs/dbraw/zinc/18/20/84/135182084.db2.gz KGPPXSFXNMOLBL-ZETCQYMHSA-N 1 2 211.290 0.779 20 0 BCADLO O=C(NCC(F)(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261548339 135186715 /nfs/dbraw/zinc/18/67/15/135186715.db2.gz NMVAPPJELDWRAO-BYPYZUCNSA-N 1 2 232.152 0.662 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOC(C)(C)C ZINC000163816722 135208009 /nfs/dbraw/zinc/20/80/09/135208009.db2.gz GLZCUHLFXQTEEV-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOC(C)(C)C ZINC000163816722 135208011 /nfs/dbraw/zinc/20/80/11/135208011.db2.gz GLZCUHLFXQTEEV-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCOC1 ZINC000164102758 135214266 /nfs/dbraw/zinc/21/42/66/135214266.db2.gz CBCKTQUVLOHGPQ-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO Cc1cc(N[C@@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164211773 135216227 /nfs/dbraw/zinc/21/62/27/135216227.db2.gz CTQPFWOJDWGABF-RMLUDKJBSA-N 1 2 213.306 0.964 20 0 BCADLO C[C@H](C(=O)Nc1ccc2nn[nH]c2c1)C1C[NH2+]C1 ZINC000262275110 135289191 /nfs/dbraw/zinc/28/91/91/135289191.db2.gz WHSRAAAECNDBSS-ZETCQYMHSA-N 1 2 245.286 0.752 20 0 BCADLO C[C@H](CNC(=O)c1cnnn1C)Cn1cc[nH+]c1 ZINC000342746965 135311078 /nfs/dbraw/zinc/31/10/78/135311078.db2.gz HHAAZZFORWTWDY-SECBINFHSA-N 1 2 248.290 0.078 20 0 BCADLO O=C(NCc1ccco1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262733903 135315558 /nfs/dbraw/zinc/31/55/58/135315558.db2.gz BVKKXEZAMJYTQP-QMMMGPOBSA-N 1 2 230.214 0.893 20 0 BCADLO O=C(NCc1ccco1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262733168 135315984 /nfs/dbraw/zinc/31/59/84/135315984.db2.gz BVKKXEZAMJYTQP-MRVPVSSYSA-N 1 2 230.214 0.893 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@H]2CCN(C)C2=O)n1C ZINC000342794613 135320033 /nfs/dbraw/zinc/32/00/33/135320033.db2.gz URLPTFSMECHUTL-JTQLQIEISA-N 1 2 236.319 0.391 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)on1 ZINC000262898765 135323282 /nfs/dbraw/zinc/32/32/82/135323282.db2.gz DJAMULGVKQXZQU-QMMMGPOBSA-N 1 2 245.229 0.596 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000334166434 135323660 /nfs/dbraw/zinc/32/36/60/135323660.db2.gz AMTHFAAKBAONBG-WDEREUQCSA-N 1 2 249.314 0.915 20 0 BCADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cn[nH]c1 ZINC000262924071 135323816 /nfs/dbraw/zinc/32/38/16/135323816.db2.gz HFDYJZNNPJIALZ-POYBYMJQSA-N 1 2 244.245 0.584 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000334166396 135323890 /nfs/dbraw/zinc/32/38/90/135323890.db2.gz AMTHFAAKBAONBG-GHMZBOCLSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000262981195 135325314 /nfs/dbraw/zinc/32/53/14/135325314.db2.gz MSDPKIWJWIOHAP-ZETCQYMHSA-N 1 2 230.218 0.356 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263012131 135326209 /nfs/dbraw/zinc/32/62/09/135326209.db2.gz PUUDPBGIRPUJMQ-IUCAKERBSA-N 1 2 248.273 0.479 20 0 BCADLO CCNC(=O)CN(CC)Cc1[nH+]cc(C)n1C ZINC000342773540 135327213 /nfs/dbraw/zinc/32/72/13/135327213.db2.gz DIQWCBJEJOFYOI-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO Cc1c[nH+]c(CN2CCOC[C@@H]2C)n1C ZINC000342777690 135327297 /nfs/dbraw/zinc/32/72/97/135327297.db2.gz ICTNLSPZFPIRBS-JTQLQIEISA-N 1 2 209.293 0.949 20 0 BCADLO C[C@@]1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCCO1 ZINC000263201423 135339633 /nfs/dbraw/zinc/33/96/33/135339633.db2.gz JCPDGEGPDVZJGH-SCZZXKLOSA-N 1 2 248.273 0.669 20 0 BCADLO C[C@@H](C[NH+]1CC(O)(C2CC2)C1)CS(C)(=O)=O ZINC000366797053 135350518 /nfs/dbraw/zinc/35/05/18/135350518.db2.gz TVKKEJITKGCMFZ-VIFPVBQESA-N 1 2 247.360 0.124 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC000334313543 135351662 /nfs/dbraw/zinc/35/16/62/135351662.db2.gz NOZQWUDAMHNTAQ-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC000334313543 135351663 /nfs/dbraw/zinc/35/16/63/135351663.db2.gz NOZQWUDAMHNTAQ-WDEREUQCSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COCC(C)C ZINC000343113635 135357769 /nfs/dbraw/zinc/35/77/69/135357769.db2.gz IUYHLDHUQPODHW-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)COCC(C)C ZINC000343113635 135357770 /nfs/dbraw/zinc/35/77/70/135357770.db2.gz IUYHLDHUQPODHW-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334333591 135361669 /nfs/dbraw/zinc/36/16/69/135361669.db2.gz UUZXDSOBMSZOOR-ONGXEEELSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334333591 135361670 /nfs/dbraw/zinc/36/16/70/135361670.db2.gz UUZXDSOBMSZOOR-ONGXEEELSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@@H](O)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000080048283 135365618 /nfs/dbraw/zinc/36/56/18/135365618.db2.gz RGMMFCALUBQMND-SNVBAGLBSA-N 1 2 247.298 0.764 20 0 BCADLO CCN(C(=O)[C@H]1COCC[N@@H+]1C)C(C)C ZINC000334346126 135365829 /nfs/dbraw/zinc/36/58/29/135365829.db2.gz PUJSLWBCCMXQSK-SNVBAGLBSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334347281 135366698 /nfs/dbraw/zinc/36/66/98/135366698.db2.gz REMCDKGYROJLCB-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334347281 135366699 /nfs/dbraw/zinc/36/66/99/135366699.db2.gz REMCDKGYROJLCB-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO O=C1CC[N@H+](C[C@@H]2CCCOC2)CCN1 ZINC000334354043 135370262 /nfs/dbraw/zinc/37/02/62/135370262.db2.gz YWLUYMMUMDZYGJ-JTQLQIEISA-N 1 2 212.293 0.235 20 0 BCADLO O=C1CC[N@@H+](C[C@@H]2CCCOC2)CCN1 ZINC000334354043 135370264 /nfs/dbraw/zinc/37/02/64/135370264.db2.gz YWLUYMMUMDZYGJ-JTQLQIEISA-N 1 2 212.293 0.235 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCO ZINC000334369056 135373384 /nfs/dbraw/zinc/37/33/84/135373384.db2.gz UAOBZENCXRFCSR-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCO ZINC000334369056 135373386 /nfs/dbraw/zinc/37/33/86/135373386.db2.gz UAOBZENCXRFCSR-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCO ZINC000334369057 135373450 /nfs/dbraw/zinc/37/34/50/135373450.db2.gz UAOBZENCXRFCSR-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCO ZINC000334369057 135373452 /nfs/dbraw/zinc/37/34/52/135373452.db2.gz UAOBZENCXRFCSR-LBPRGKRZSA-N 1 2 234.299 0.460 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)c1cccn1C ZINC000334370855 135375730 /nfs/dbraw/zinc/37/57/30/135375730.db2.gz PFXWXOXKJKAORE-JTQLQIEISA-N 1 2 249.314 0.370 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1cccn1C ZINC000334370855 135375731 /nfs/dbraw/zinc/37/57/31/135375731.db2.gz PFXWXOXKJKAORE-JTQLQIEISA-N 1 2 249.314 0.370 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccc(F)cn1 ZINC000334374353 135377099 /nfs/dbraw/zinc/37/70/99/135377099.db2.gz UFFDANYJLRBHIJ-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081561637 135387420 /nfs/dbraw/zinc/38/74/20/135387420.db2.gz ATVJJLMABOKWJM-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO O=C(C1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000334397446 135388908 /nfs/dbraw/zinc/38/89/08/135388908.db2.gz CZLCOMYMXBIOHG-UHFFFAOYSA-N 1 2 234.303 0.464 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(CC(F)(F)F)C[C@@H]21 ZINC000334402612 135390760 /nfs/dbraw/zinc/39/07/60/135390760.db2.gz HMYYFUTVHQGILV-IUCAKERBSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(CC(F)(F)F)C[C@@H]21 ZINC000334402612 135390761 /nfs/dbraw/zinc/39/07/61/135390761.db2.gz HMYYFUTVHQGILV-IUCAKERBSA-N 1 2 238.253 0.954 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000334284707 135398426 /nfs/dbraw/zinc/39/84/26/135398426.db2.gz BDPQGTNYELQDEU-VIFPVBQESA-N 1 2 242.323 0.599 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnnn1C ZINC000092017187 135569896 /nfs/dbraw/zinc/56/98/96/135569896.db2.gz QYFADLXVKLVGKW-BDAKNGLRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnnn1C ZINC000092017187 135569897 /nfs/dbraw/zinc/56/98/97/135569897.db2.gz QYFADLXVKLVGKW-BDAKNGLRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccn(C)c1 ZINC000093384557 135596540 /nfs/dbraw/zinc/59/65/40/135596540.db2.gz WKWUHYBLNWCLPC-SNVBAGLBSA-N 1 2 244.360 0.890 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccn(C)c1 ZINC000093384557 135596543 /nfs/dbraw/zinc/59/65/43/135596543.db2.gz WKWUHYBLNWCLPC-SNVBAGLBSA-N 1 2 244.360 0.890 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1cncnc1 ZINC000343890773 135714260 /nfs/dbraw/zinc/71/42/60/135714260.db2.gz YGIXXMKKKHYFEC-UHFFFAOYSA-N 1 2 232.247 0.495 20 0 BCADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(CC(C)C)CC1 ZINC000347719170 136003612 /nfs/dbraw/zinc/00/36/12/136003612.db2.gz LROJEOBXPVDDFH-ZDUSSCGKSA-N 1 2 242.363 0.600 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000347719031 136003654 /nfs/dbraw/zinc/00/36/54/136003654.db2.gz GMQHREZFPYEPDK-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000347719031 136003655 /nfs/dbraw/zinc/00/36/55/136003655.db2.gz GMQHREZFPYEPDK-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO COC(=O)c1ccoc1C[NH2+]C1(C(N)=O)CC1 ZINC000347776877 136009266 /nfs/dbraw/zinc/00/92/66/136009266.db2.gz ARDDEGZPYGRRGQ-UHFFFAOYSA-N 1 2 238.243 0.174 20 0 BCADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](CO)C1 ZINC000367016283 136018548 /nfs/dbraw/zinc/01/85/48/136018548.db2.gz PFGIMWJBCNOXLN-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COC(C)C)C1CC1 ZINC000348186541 136037811 /nfs/dbraw/zinc/03/78/11/136037811.db2.gz OLUIVFXAYOGJAW-MNOVXSKESA-N 1 2 245.319 0.314 20 0 BCADLO CC(C)(C(=O)N[C@H]1CCCOC1)c1c[nH]c[nH+]1 ZINC000335337490 136044569 /nfs/dbraw/zinc/04/45/69/136044569.db2.gz ZYSFPTSMXLRDMC-VIFPVBQESA-N 1 2 237.303 0.983 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H](C)O1 ZINC000348218209 136046716 /nfs/dbraw/zinc/04/67/16/136046716.db2.gz QZZWWUKDPXFKHS-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H](C)O1 ZINC000348218209 136046717 /nfs/dbraw/zinc/04/67/17/136046717.db2.gz QZZWWUKDPXFKHS-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)n1cc(C[N@H+](C)CCOCCO)nn1 ZINC000348284069 136059662 /nfs/dbraw/zinc/05/96/62/136059662.db2.gz GIKQFARXQWTUBE-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)CCOCCO)nn1 ZINC000348284069 136059663 /nfs/dbraw/zinc/05/96/63/136059663.db2.gz GIKQFARXQWTUBE-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000348278780 136059929 /nfs/dbraw/zinc/05/99/29/136059929.db2.gz CDMXUAIDAXQKBL-PHIMTYICSA-N 1 2 237.303 0.328 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000348278780 136059930 /nfs/dbraw/zinc/05/99/30/136059930.db2.gz CDMXUAIDAXQKBL-PHIMTYICSA-N 1 2 237.303 0.328 20 0 BCADLO CC1(C)CS(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000348297173 136062871 /nfs/dbraw/zinc/06/28/71/136062871.db2.gz VATNEJWNSZPHPC-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CC1(C)CS(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000348297173 136062872 /nfs/dbraw/zinc/06/28/72/136062872.db2.gz VATNEJWNSZPHPC-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cnn(C)c1 ZINC000348296199 136063216 /nfs/dbraw/zinc/06/32/16/136063216.db2.gz RAHDOMQCOMAVMV-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cnn(C)c1 ZINC000348296199 136063217 /nfs/dbraw/zinc/06/32/17/136063217.db2.gz RAHDOMQCOMAVMV-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO O=C1CC[C@H]2CN(c3cccc[nH+]3)CCN12 ZINC000335353316 136070202 /nfs/dbraw/zinc/07/02/02/136070202.db2.gz BWIGGUPZCNBBBV-JTQLQIEISA-N 1 2 217.272 0.893 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccnn1C ZINC000348366844 136073415 /nfs/dbraw/zinc/07/34/15/136073415.db2.gz JATAJBYEXPCLEN-SECBINFHSA-N 1 2 224.308 0.329 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccnn1C ZINC000348366844 136073416 /nfs/dbraw/zinc/07/34/16/136073416.db2.gz JATAJBYEXPCLEN-SECBINFHSA-N 1 2 224.308 0.329 20 0 BCADLO Cn1nccc1C[N@H+](C)CC(=O)N1CCC1 ZINC000348394618 136076366 /nfs/dbraw/zinc/07/63/66/136076366.db2.gz CSMKUVAMIPUXEE-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1nccc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000348394618 136076367 /nfs/dbraw/zinc/07/63/67/136076367.db2.gz CSMKUVAMIPUXEE-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CN1CC[N@H+](Cc2ccccc2)CC1=O ZINC000034079035 136087209 /nfs/dbraw/zinc/08/72/09/136087209.db2.gz FXMLEDDKSZZPLP-UHFFFAOYSA-N 1 2 204.273 0.961 20 0 BCADLO CN1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000034079035 136087210 /nfs/dbraw/zinc/08/72/10/136087210.db2.gz FXMLEDDKSZZPLP-UHFFFAOYSA-N 1 2 204.273 0.961 20 0 BCADLO C[NH+]1CCN(C(=O)CSC2CC2)CC1 ZINC000335398817 136093603 /nfs/dbraw/zinc/09/36/03/136093603.db2.gz KFBWTMYSEXRAQB-UHFFFAOYSA-N 1 2 214.334 0.656 20 0 BCADLO Cc1cccc(CC[N@@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000335364479 136094894 /nfs/dbraw/zinc/09/48/94/136094894.db2.gz AHEFZHOOZXMIQW-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO Cc1cccc(CC[N@H+]2CC(=O)N[C@H](C)C2)n1 ZINC000335364479 136094895 /nfs/dbraw/zinc/09/48/95/136094895.db2.gz AHEFZHOOZXMIQW-LLVKDONJSA-N 1 2 233.315 0.753 20 0 BCADLO CC(C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348547956 136095995 /nfs/dbraw/zinc/09/59/95/136095995.db2.gz PCPUGEBPHOIFTM-LLVKDONJSA-N 1 2 242.367 0.187 20 0 BCADLO CC(C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348547956 136095996 /nfs/dbraw/zinc/09/59/96/136095996.db2.gz PCPUGEBPHOIFTM-LLVKDONJSA-N 1 2 242.367 0.187 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1CC(=O)NC1CC1 ZINC000348555292 136096417 /nfs/dbraw/zinc/09/64/17/136096417.db2.gz UNVWJTJKOILGFU-LBPRGKRZSA-N 1 2 239.363 0.537 20 0 BCADLO CC(C)[C@@H]1CN(C)CC[N@H+]1CC(=O)NC1CC1 ZINC000348555292 136096418 /nfs/dbraw/zinc/09/64/18/136096418.db2.gz UNVWJTJKOILGFU-LBPRGKRZSA-N 1 2 239.363 0.537 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549745 136097674 /nfs/dbraw/zinc/09/76/74/136097674.db2.gz UVOVOESHQLNXOD-SNVBAGLBSA-N 1 2 249.314 0.477 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558943 136100389 /nfs/dbraw/zinc/10/03/89/136100389.db2.gz OVGGXERDVILEKF-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO CCc1cnc(C[N@H+](C)[C@H]2COC[C@H]2O)s1 ZINC000348631909 136105323 /nfs/dbraw/zinc/10/53/23/136105323.db2.gz GJTKEFJRFKKITJ-VHSXEESVSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@@H+](C)[C@H]2COC[C@H]2O)s1 ZINC000348631909 136105324 /nfs/dbraw/zinc/10/53/24/136105324.db2.gz GJTKEFJRFKKITJ-VHSXEESVSA-N 1 2 242.344 0.897 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1O ZINC000367047439 136112265 /nfs/dbraw/zinc/11/22/65/136112265.db2.gz JEASTKWRMDJNJD-HRDYMLBCSA-N 1 2 248.273 0.213 20 0 BCADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@H]1COC[C@H]1O ZINC000348646814 136115321 /nfs/dbraw/zinc/11/53/21/136115321.db2.gz QAHVHNJSAVEPFW-DTWKUNHWSA-N 1 2 247.245 0.470 20 0 BCADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@H]1COC[C@H]1O ZINC000348646814 136115322 /nfs/dbraw/zinc/11/53/22/136115322.db2.gz QAHVHNJSAVEPFW-DTWKUNHWSA-N 1 2 247.245 0.470 20 0 BCADLO CCc1nnc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000348662944 136115608 /nfs/dbraw/zinc/11/56/08/136115608.db2.gz PLIHXKMIAIAMLF-UHFFFAOYSA-N 1 2 235.247 0.594 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[NH+]1Cc2ccccc2C1 ZINC000155542089 397753883 /nfs/dbraw/zinc/75/38/83/397753883.db2.gz DGGXBLRQARHDOQ-QMMMGPOBSA-N 1 2 233.271 0.586 20 0 BCADLO CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000171136626 397766245 /nfs/dbraw/zinc/76/62/45/397766245.db2.gz SZRZWONPFULUKR-SNVBAGLBSA-N 1 2 213.325 0.149 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C(C)C ZINC000300826483 397777433 /nfs/dbraw/zinc/77/74/33/397777433.db2.gz BNYVNAWBWXTHOM-UWVGGRQHSA-N 1 2 217.309 0.791 20 0 BCADLO Cn1cccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000153107488 397739945 /nfs/dbraw/zinc/73/99/45/397739945.db2.gz LZWXLAHLRWQGGJ-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO Cn1cccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000153107488 397739948 /nfs/dbraw/zinc/73/99/48/397739948.db2.gz LZWXLAHLRWQGGJ-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO C[C@H]1OCC[N@H+](C[C@@H]2CCCCO2)[C@@H]1C(N)=O ZINC000408047236 397840579 /nfs/dbraw/zinc/84/05/79/397840579.db2.gz OQPYVLBIUIYMLH-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H]1OCC[N@@H+](C[C@@H]2CCCCO2)[C@@H]1C(N)=O ZINC000408047236 397840581 /nfs/dbraw/zinc/84/05/81/397840581.db2.gz OQPYVLBIUIYMLH-VWYCJHECSA-N 1 2 242.319 0.130 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@@H](O)C1)CC2 ZINC000626194812 397852767 /nfs/dbraw/zinc/85/27/67/397852767.db2.gz BGRGPGTUGVXTNZ-GARJFASQSA-N 1 2 249.314 0.393 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000408130697 397929986 /nfs/dbraw/zinc/92/99/86/397929986.db2.gz FAVKCOPHXSNBNS-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000408130697 397929989 /nfs/dbraw/zinc/92/99/89/397929989.db2.gz FAVKCOPHXSNBNS-IUCAKERBSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cncc(C)n1 ZINC000649537328 397930579 /nfs/dbraw/zinc/93/05/79/397930579.db2.gz AXYDHPHNKDBVJI-GFCCVEGCSA-N 1 2 248.330 0.538 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cncc(C)n1 ZINC000649537328 397930583 /nfs/dbraw/zinc/93/05/83/397930583.db2.gz AXYDHPHNKDBVJI-GFCCVEGCSA-N 1 2 248.330 0.538 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537714 397930875 /nfs/dbraw/zinc/93/08/75/397930875.db2.gz PMTQXDDYSIEPGO-IUCAKERBSA-N 1 2 241.291 0.583 20 0 BCADLO C[C@H](CO)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537714 397930877 /nfs/dbraw/zinc/93/08/77/397930877.db2.gz PMTQXDDYSIEPGO-IUCAKERBSA-N 1 2 241.291 0.583 20 0 BCADLO Cc1nonc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000271313365 397965752 /nfs/dbraw/zinc/96/57/52/397965752.db2.gz ADRKCVPBARMVJM-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO Cc1nonc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000271313365 397965755 /nfs/dbraw/zinc/96/57/55/397965755.db2.gz ADRKCVPBARMVJM-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)CC(F)F ZINC000444627957 397942420 /nfs/dbraw/zinc/94/24/20/397942420.db2.gz RULWAENICDHLJZ-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)CC(F)F ZINC000444627957 397942423 /nfs/dbraw/zinc/94/24/23/397942423.db2.gz RULWAENICDHLJZ-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CC1CC1 ZINC000267246432 397944208 /nfs/dbraw/zinc/94/42/08/397944208.db2.gz UGQIEMWBOVUQOP-UHFFFAOYSA-N 1 2 243.332 0.592 20 0 BCADLO Cc1cnn(CC(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000359498154 397954596 /nfs/dbraw/zinc/95/45/96/397954596.db2.gz BVMURMVAKMNDPD-UHFFFAOYSA-N 1 2 233.275 0.539 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)CO ZINC000650182336 397959299 /nfs/dbraw/zinc/95/92/99/397959299.db2.gz XVNCVYKBFRDSBN-JGVFFNPUSA-N 1 2 211.252 0.563 20 0 BCADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)CO ZINC000650182336 397959300 /nfs/dbraw/zinc/95/93/00/397959300.db2.gz XVNCVYKBFRDSBN-JGVFFNPUSA-N 1 2 211.252 0.563 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)N(C)C ZINC000364693730 397908347 /nfs/dbraw/zinc/90/83/47/397908347.db2.gz DREBKZBUHOLDKO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)N(C)C ZINC000364693730 397908351 /nfs/dbraw/zinc/90/83/51/397908351.db2.gz DREBKZBUHOLDKO-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCSCC1 ZINC000264091731 397914938 /nfs/dbraw/zinc/91/49/38/397914938.db2.gz DUVVZYOENBMSAC-UHFFFAOYSA-N 1 2 240.332 0.679 20 0 BCADLO OCc1nnn2c1C[N@H+](CC1=CCCC1)CC2 ZINC000649614325 397997517 /nfs/dbraw/zinc/99/75/17/397997517.db2.gz WELGUABMXBTHQF-UHFFFAOYSA-N 1 2 234.303 0.696 20 0 BCADLO OCc1nnn2c1C[N@@H+](CC1=CCCC1)CC2 ZINC000649614325 397997521 /nfs/dbraw/zinc/99/75/21/397997521.db2.gz WELGUABMXBTHQF-UHFFFAOYSA-N 1 2 234.303 0.696 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372322117 398002057 /nfs/dbraw/zinc/00/20/57/398002057.db2.gz VUNMEQLSAUMUQY-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@H]1CO ZINC000372507018 398004665 /nfs/dbraw/zinc/00/46/65/398004665.db2.gz QJOWXBANDGTQQY-QMMMGPOBSA-N 1 2 231.246 0.622 20 0 BCADLO Cn1nccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170019770 398009172 /nfs/dbraw/zinc/00/91/72/398009172.db2.gz DNTBZWOMNAXILB-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194441 398018281 /nfs/dbraw/zinc/01/82/81/398018281.db2.gz IEDCGBHGVRPDIX-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408194441 398018284 /nfs/dbraw/zinc/01/82/84/398018284.db2.gz IEDCGBHGVRPDIX-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO OC[C@@H](Nc1cc[nH+]cc1F)[C@H]1CCCOC1 ZINC000641634393 398021360 /nfs/dbraw/zinc/02/13/60/398021360.db2.gz MUTDYZRIBAYVBC-JOYOIKCWSA-N 1 2 240.278 0.842 20 0 BCADLO CC[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C(=O)OC ZINC000276741458 398023993 /nfs/dbraw/zinc/02/39/93/398023993.db2.gz GNFFBGBAGSDBDQ-QMMMGPOBSA-N 1 2 239.275 0.534 20 0 BCADLO Cn1cnc2c1CC[N@H+](Cc1cc[nH]n1)C2 ZINC000376202771 398026319 /nfs/dbraw/zinc/02/63/19/398026319.db2.gz FHTYFEWLNGGEDE-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cnc2c1CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000376202771 398026324 /nfs/dbraw/zinc/02/63/24/398026324.db2.gz FHTYFEWLNGGEDE-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1c[nH+]c2c1CCN(Cc1cc[nH]n1)C2 ZINC000376202771 398026327 /nfs/dbraw/zinc/02/63/27/398026327.db2.gz FHTYFEWLNGGEDE-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3c(ncn3C)C2)n1 ZINC000376203195 398026337 /nfs/dbraw/zinc/02/63/37/398026337.db2.gz LAVZYTHOPYAPCM-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3c(ncn3C)C2)n1 ZINC000376203195 398026341 /nfs/dbraw/zinc/02/63/41/398026341.db2.gz LAVZYTHOPYAPCM-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO Cn1ccc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC000376203195 398026343 /nfs/dbraw/zinc/02/63/43/398026343.db2.gz LAVZYTHOPYAPCM-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H](C)O1 ZINC000408195749 398026345 /nfs/dbraw/zinc/02/63/45/398026345.db2.gz UKPJIXAXGUWIDT-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H](C)O1 ZINC000408195749 398026348 /nfs/dbraw/zinc/02/63/48/398026348.db2.gz UKPJIXAXGUWIDT-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO OC1(C2CC[NH+](Cc3cnn[nH]3)CC2)CC1 ZINC000649670707 398031796 /nfs/dbraw/zinc/03/17/96/398031796.db2.gz WRUAJNXJNASRQT-UHFFFAOYSA-N 1 2 222.292 0.542 20 0 BCADLO OC1(C2CC[NH+](Cc3c[nH]nn3)CC2)CC1 ZINC000649670707 398031799 /nfs/dbraw/zinc/03/17/99/398031799.db2.gz WRUAJNXJNASRQT-UHFFFAOYSA-N 1 2 222.292 0.542 20 0 BCADLO OC1(C2CC[NH+](Cc3cn[nH]n3)CC2)CC1 ZINC000649670707 398031802 /nfs/dbraw/zinc/03/18/02/398031802.db2.gz WRUAJNXJNASRQT-UHFFFAOYSA-N 1 2 222.292 0.542 20 0 BCADLO CS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408174168 397976738 /nfs/dbraw/zinc/97/67/38/397976738.db2.gz PTESADKZOAVRRB-ZETCQYMHSA-N 1 2 215.278 0.506 20 0 BCADLO C[N@@H+]1CCC[C@@H]1CN1CC[C@@H](S(C)(=O)=O)C1 ZINC000649600347 397987551 /nfs/dbraw/zinc/98/75/51/397987551.db2.gz FOGZWORLIQMRFU-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+]1CCC[C@@H]1CN1CC[C@@H](S(C)(=O)=O)C1 ZINC000649600347 397987554 /nfs/dbraw/zinc/98/75/54/397987554.db2.gz FOGZWORLIQMRFU-GHMZBOCLSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@H+](CCOCCO)Cc1cc2n(n1)CCC2 ZINC000649601186 397989286 /nfs/dbraw/zinc/98/92/86/397989286.db2.gz GBNQTRSJWOHVQD-UHFFFAOYSA-N 1 2 239.319 0.270 20 0 BCADLO C[N@@H+](CCOCCO)Cc1cc2n(n1)CCC2 ZINC000649601186 397989291 /nfs/dbraw/zinc/98/92/91/397989291.db2.gz GBNQTRSJWOHVQD-UHFFFAOYSA-N 1 2 239.319 0.270 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000649729668 398067880 /nfs/dbraw/zinc/06/78/80/398067880.db2.gz DDEHMLNVYMWPPF-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C)[C@H](C)CO1 ZINC000649729668 398067881 /nfs/dbraw/zinc/06/78/81/398067881.db2.gz DDEHMLNVYMWPPF-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CC[C@H](O)C1 ZINC000283251827 398070071 /nfs/dbraw/zinc/07/00/71/398070071.db2.gz URNJDPWURRWPJG-PKWPUFSASA-N 1 2 235.287 0.700 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC)[C@H](C)CO1 ZINC000649731265 398070825 /nfs/dbraw/zinc/07/08/25/398070825.db2.gz FJFHJBKOIQKFDR-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC)[C@H](C)CO1 ZINC000649731265 398070827 /nfs/dbraw/zinc/07/08/27/398070827.db2.gz FJFHJBKOIQKFDR-GHMZBOCLSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000649731847 398070873 /nfs/dbraw/zinc/07/08/73/398070873.db2.gz NQSYPGSCIWWIIN-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000649731847 398070874 /nfs/dbraw/zinc/07/08/74/398070874.db2.gz NQSYPGSCIWWIIN-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000248938473 398073341 /nfs/dbraw/zinc/07/33/41/398073341.db2.gz CHHAEPRFDCPORR-SCZZXKLOSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@](C)(O)C1 ZINC000248938473 398073344 /nfs/dbraw/zinc/07/33/44/398073344.db2.gz CHHAEPRFDCPORR-SCZZXKLOSA-N 1 2 225.296 0.118 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283509312 398074934 /nfs/dbraw/zinc/07/49/34/398074934.db2.gz PRMOXHXHOUMFKY-RTMURIBGSA-N 1 2 237.259 0.491 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C)o1 ZINC000649742949 398080443 /nfs/dbraw/zinc/08/04/43/398080443.db2.gz XYGFEVXDJJAVSL-VHSXEESVSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C)o1 ZINC000649742949 398080445 /nfs/dbraw/zinc/08/04/45/398080445.db2.gz XYGFEVXDJJAVSL-VHSXEESVSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000286513374 398081472 /nfs/dbraw/zinc/08/14/72/398081472.db2.gz WWPHVWRNFJHABQ-GHMZBOCLSA-N 1 2 237.303 0.632 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](O)CO ZINC000287545453 398083482 /nfs/dbraw/zinc/08/34/82/398083482.db2.gz ONJZKHJUMPIPNN-SECBINFHSA-N 1 2 239.275 0.173 20 0 BCADLO C[N@H+](Cc1nccs1)[C@H]1COC[C@H]1O ZINC000307756471 398084281 /nfs/dbraw/zinc/08/42/81/398084281.db2.gz IFDLGVZAZWLMGO-JGVFFNPUSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1nccs1)[C@H]1COC[C@H]1O ZINC000307756471 398084285 /nfs/dbraw/zinc/08/42/85/398084285.db2.gz IFDLGVZAZWLMGO-JGVFFNPUSA-N 1 2 214.290 0.335 20 0 BCADLO O=C(c1ncccc1O)N1CCn2c[nH+]cc2C1 ZINC000291108736 398088758 /nfs/dbraw/zinc/08/87/58/398088758.db2.gz MKTNVKBCXLTZIT-UHFFFAOYSA-N 1 2 244.254 0.640 20 0 BCADLO CSCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603228806 398089212 /nfs/dbraw/zinc/08/92/12/398089212.db2.gz HRROFXBFGSTPDL-JTQLQIEISA-N 1 2 242.348 0.692 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141708 398089774 /nfs/dbraw/zinc/08/97/74/398089774.db2.gz VSFXRYCUARFAOT-CMPLNLGQSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141708 398089777 /nfs/dbraw/zinc/08/97/77/398089777.db2.gz VSFXRYCUARFAOT-CMPLNLGQSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCOC(C)C ZINC000116283834 398090134 /nfs/dbraw/zinc/09/01/34/398090134.db2.gz QLEPEPLYJCBSLR-GHMZBOCLSA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCOC(C)C ZINC000116283834 398090136 /nfs/dbraw/zinc/09/01/36/398090136.db2.gz QLEPEPLYJCBSLR-GHMZBOCLSA-N 1 2 245.319 0.674 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC000649760326 398090227 /nfs/dbraw/zinc/09/02/27/398090227.db2.gz NPEZDUHQWUPKMN-RKDXNWHRSA-N 1 2 241.291 0.214 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC000649760326 398090228 /nfs/dbraw/zinc/09/02/28/398090228.db2.gz NPEZDUHQWUPKMN-RKDXNWHRSA-N 1 2 241.291 0.214 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncccn1 ZINC000649764131 398091274 /nfs/dbraw/zinc/09/12/74/398091274.db2.gz RYCHQPXIGLAPRB-NXEZZACHSA-N 1 2 223.276 0.058 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ncccn1 ZINC000649764131 398091276 /nfs/dbraw/zinc/09/12/76/398091276.db2.gz RYCHQPXIGLAPRB-NXEZZACHSA-N 1 2 223.276 0.058 20 0 BCADLO Nc1cccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000051070335 398054112 /nfs/dbraw/zinc/05/41/12/398054112.db2.gz KQZYEYCNVOVPQE-UHFFFAOYSA-N 1 2 245.286 0.680 20 0 BCADLO Nc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000051072435 398055327 /nfs/dbraw/zinc/05/53/27/398055327.db2.gz NSLHRTPFUVCTOL-UHFFFAOYSA-N 1 2 246.314 0.584 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769721 171243876 /nfs/dbraw/zinc/24/38/76/171243876.db2.gz JHSBRBSHVKUGBQ-PHDIDXHHSA-N 1 2 228.214 0.105 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769721 171243877 /nfs/dbraw/zinc/24/38/77/171243877.db2.gz JHSBRBSHVKUGBQ-PHDIDXHHSA-N 1 2 228.214 0.105 20 0 BCADLO c1nn[nH]c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785043 398101516 /nfs/dbraw/zinc/10/15/16/398101516.db2.gz TVUVPVIGKSLGCU-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO c1nncn1CC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000649785043 398101521 /nfs/dbraw/zinc/10/15/21/398101521.db2.gz TVUVPVIGKSLGCU-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO c1n[nH]nc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785043 398101523 /nfs/dbraw/zinc/10/15/23/398101523.db2.gz TVUVPVIGKSLGCU-UHFFFAOYSA-N 1 2 247.306 0.308 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000649799560 398109105 /nfs/dbraw/zinc/10/91/05/398109105.db2.gz ZFSXNGSUGPBAPA-VIFPVBQESA-N 1 2 224.308 0.645 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000649799560 398109107 /nfs/dbraw/zinc/10/91/07/398109107.db2.gz ZFSXNGSUGPBAPA-VIFPVBQESA-N 1 2 224.308 0.645 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000649799560 398109110 /nfs/dbraw/zinc/10/91/10/398109110.db2.gz ZFSXNGSUGPBAPA-VIFPVBQESA-N 1 2 224.308 0.645 20 0 BCADLO CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)CO ZINC000293655937 398116648 /nfs/dbraw/zinc/11/66/48/398116648.db2.gz MCSAEURTMAUGSK-SNVBAGLBSA-N 1 2 239.319 0.582 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@]2(O)CCC[C@@H]2C)c[nH+]1 ZINC000293949632 398119097 /nfs/dbraw/zinc/11/90/97/398119097.db2.gz AHDAXCAREZQURI-UFBFGSQYSA-N 1 2 237.303 0.999 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@]1(O)CCOC1 ZINC000620316787 398109596 /nfs/dbraw/zinc/10/95/96/398109596.db2.gz IDXAXQHVIWNQKO-LBPRGKRZSA-N 1 2 247.254 0.424 20 0 BCADLO CO[C@@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C1(C)C ZINC000310287883 398130369 /nfs/dbraw/zinc/13/03/69/398130369.db2.gz YFPLJRJKJWOUNO-JGVFFNPUSA-N 1 2 237.307 0.988 20 0 BCADLO CO[C@@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C1(C)C ZINC000310287883 398130371 /nfs/dbraw/zinc/13/03/71/398130371.db2.gz YFPLJRJKJWOUNO-JGVFFNPUSA-N 1 2 237.307 0.988 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C1(C)C ZINC000310287889 398130506 /nfs/dbraw/zinc/13/05/06/398130506.db2.gz YFPLJRJKJWOUNO-YUMQZZPRSA-N 1 2 237.307 0.988 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C1(C)C ZINC000310287889 398130507 /nfs/dbraw/zinc/13/05/07/398130507.db2.gz YFPLJRJKJWOUNO-YUMQZZPRSA-N 1 2 237.307 0.988 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1cc(CO)cc[nH+]1 ZINC000385090657 398132952 /nfs/dbraw/zinc/13/29/52/398132952.db2.gz LCTKVJVKTGIFST-PSASIEDQSA-N 1 2 208.261 0.533 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000070703414 398134013 /nfs/dbraw/zinc/13/40/13/398134013.db2.gz GBMMFIHBQBJRPT-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000009975873 167049654 /nfs/dbraw/zinc/04/96/54/167049654.db2.gz LEZPBXXUPHEUJL-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000009975873 167049657 /nfs/dbraw/zinc/04/96/57/167049657.db2.gz LEZPBXXUPHEUJL-SNVBAGLBSA-N 1 2 241.335 0.112 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000685585369 487559389 /nfs/dbraw/zinc/55/93/89/487559389.db2.gz XPSXUVCYDJXTFX-APPZFPTMSA-N 1 2 238.291 0.636 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000685585369 487559390 /nfs/dbraw/zinc/55/93/90/487559390.db2.gz XPSXUVCYDJXTFX-APPZFPTMSA-N 1 2 238.291 0.636 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(CO)CCC1 ZINC000680303303 487559772 /nfs/dbraw/zinc/55/97/72/487559772.db2.gz PKJZIMRGNOVQTA-UHFFFAOYSA-N 1 2 223.276 0.162 20 0 BCADLO CCc1noc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000674322620 487560094 /nfs/dbraw/zinc/56/00/94/487560094.db2.gz YWUNHGPOOIQFKL-VIFPVBQESA-N 1 2 241.291 0.479 20 0 BCADLO CCc1noc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000674322620 487560100 /nfs/dbraw/zinc/56/01/00/487560100.db2.gz YWUNHGPOOIQFKL-VIFPVBQESA-N 1 2 241.291 0.479 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCn1cncn1 ZINC000268342944 167170260 /nfs/dbraw/zinc/17/02/60/167170260.db2.gz LLSSKPLFMBAAEB-JTQLQIEISA-N 1 2 240.307 0.550 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCN(C)C(=O)C2)[nH+]1 ZINC000530717754 322891156 /nfs/dbraw/zinc/89/11/56/322891156.db2.gz KCJSBDBVCSSTTP-UHFFFAOYSA-N 1 2 245.286 0.545 20 0 BCADLO CC(C)OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290982896 167183768 /nfs/dbraw/zinc/18/37/68/167183768.db2.gz VVCNOSMJMSNBAU-UHFFFAOYSA-N 1 2 223.276 0.650 20 0 BCADLO Cn1cc(CCC[N@H+](C)Cc2nnc[nH]2)cn1 ZINC000674371876 487567924 /nfs/dbraw/zinc/56/79/24/487567924.db2.gz JICDRUCVTHLNEL-UHFFFAOYSA-N 1 2 234.307 0.603 20 0 BCADLO Cn1cc(CCC[N@@H+](C)Cc2nnc[nH]2)cn1 ZINC000674371876 487567928 /nfs/dbraw/zinc/56/79/28/487567928.db2.gz JICDRUCVTHLNEL-UHFFFAOYSA-N 1 2 234.307 0.603 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCOC[C@H]2CO)n1 ZINC000382924307 487569490 /nfs/dbraw/zinc/56/94/90/487569490.db2.gz SVFHOKWAUXDJBL-GFCCVEGCSA-N 1 2 239.319 0.193 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCOC[C@H]2CO)n1 ZINC000382924307 487569495 /nfs/dbraw/zinc/56/94/95/487569495.db2.gz SVFHOKWAUXDJBL-GFCCVEGCSA-N 1 2 239.319 0.193 20 0 BCADLO C[C@@H]([NH2+]Cc1csc(C2CC2)n1)C(N)=O ZINC000113316396 487575222 /nfs/dbraw/zinc/57/52/22/487575222.db2.gz YPSDEDWXTSGPFN-ZCFIWIBFSA-N 1 2 225.317 0.984 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H](O)C2)oc1C ZINC000674464653 487579393 /nfs/dbraw/zinc/57/93/93/487579393.db2.gz IIHPCHUWEWRELB-AOOOYVTPSA-N 1 2 226.276 0.219 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)oc1C ZINC000674464653 487579397 /nfs/dbraw/zinc/57/93/97/487579397.db2.gz IIHPCHUWEWRELB-AOOOYVTPSA-N 1 2 226.276 0.219 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1F ZINC000680388426 487581927 /nfs/dbraw/zinc/58/19/27/487581927.db2.gz UCWGQSFKHAFBDA-SFYZADRCSA-N 1 2 228.271 0.288 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1F ZINC000680388426 487581933 /nfs/dbraw/zinc/58/19/33/487581933.db2.gz UCWGQSFKHAFBDA-SFYZADRCSA-N 1 2 228.271 0.288 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000685837986 487583270 /nfs/dbraw/zinc/58/32/70/487583270.db2.gz URDDYFQTMZNXFQ-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000685837986 487583274 /nfs/dbraw/zinc/58/32/74/487583274.db2.gz URDDYFQTMZNXFQ-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO CCS(=O)(=O)CCCNc1cc(C)[nH+]cn1 ZINC000413566948 487585796 /nfs/dbraw/zinc/58/57/96/487585796.db2.gz AMAYSTOACKMWQZ-UHFFFAOYSA-N 1 2 243.332 1.022 20 0 BCADLO Cc1ccc([C@@H]([NH3+])C(=O)NCc2nnc[nH]2)cc1 ZINC000228092835 487586196 /nfs/dbraw/zinc/58/61/96/487586196.db2.gz VXXXNHJJPSVUEY-LLVKDONJSA-N 1 2 245.286 0.429 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccncc2Cl)C1 ZINC000674496433 487586982 /nfs/dbraw/zinc/58/69/82/487586982.db2.gz WMDKRNGMXAXEKD-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccncc2Cl)C1 ZINC000674496433 487586988 /nfs/dbraw/zinc/58/69/88/487586988.db2.gz WMDKRNGMXAXEKD-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000674500258 487589034 /nfs/dbraw/zinc/58/90/34/487589034.db2.gz STHYSIOKXBVXFY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1ncnn1C ZINC000674500258 487589036 /nfs/dbraw/zinc/58/90/36/487589036.db2.gz STHYSIOKXBVXFY-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000372160983 167271449 /nfs/dbraw/zinc/27/14/49/167271449.db2.gz RMJICBNRJHNGKY-MNOVXSKESA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000372160983 167271450 /nfs/dbraw/zinc/27/14/50/167271450.db2.gz RMJICBNRJHNGKY-MNOVXSKESA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000364229798 167272207 /nfs/dbraw/zinc/27/22/07/167272207.db2.gz XYLGMRHYJUWIQZ-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000364229798 167272212 /nfs/dbraw/zinc/27/22/12/167272212.db2.gz XYLGMRHYJUWIQZ-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000674525240 487592932 /nfs/dbraw/zinc/59/29/32/487592932.db2.gz AMWAGNWDRGYLMW-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1cncc(F)c1 ZINC000685913993 487595422 /nfs/dbraw/zinc/59/54/22/487595422.db2.gz QQMLMRRFQVREEE-UHFFFAOYSA-N 1 2 242.235 0.745 20 0 BCADLO COC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000674587526 487597018 /nfs/dbraw/zinc/59/70/18/487597018.db2.gz JCXZIBAFGVYBOI-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO C[N@H+](Cc1ccsc1)[C@H]1CC(=O)NC1=O ZINC000653279133 487598357 /nfs/dbraw/zinc/59/83/57/487598357.db2.gz HDAUHNHRIXIRFW-QMMMGPOBSA-N 1 2 224.285 0.595 20 0 BCADLO C[N@@H+](Cc1ccsc1)[C@H]1CC(=O)NC1=O ZINC000653279133 487598364 /nfs/dbraw/zinc/59/83/64/487598364.db2.gz HDAUHNHRIXIRFW-QMMMGPOBSA-N 1 2 224.285 0.595 20 0 BCADLO CC(C)OCCNC(=O)Cn1cc[nH+]c1 ZINC000680460641 487599007 /nfs/dbraw/zinc/59/90/07/487599007.db2.gz GHTGTAZNFNQJLZ-UHFFFAOYSA-N 1 2 211.265 0.424 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000668271628 487599807 /nfs/dbraw/zinc/59/98/07/487599807.db2.gz KKTBAYDLUSIMHU-UHFFFAOYSA-N 1 2 249.318 0.310 20 0 BCADLO COc1ccc(C[N@H+](C)Cc2cnnn2C)cn1 ZINC000680480415 487604013 /nfs/dbraw/zinc/60/40/13/487604013.db2.gz GCTBMUAMHDIYQY-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COc1ccc(C[N@@H+](C)Cc2cnnn2C)cn1 ZINC000680480415 487604016 /nfs/dbraw/zinc/60/40/16/487604016.db2.gz GCTBMUAMHDIYQY-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO CC(C)S(=O)(=O)CC[NH2+]Cc1ccn(C)n1 ZINC000232791001 167318608 /nfs/dbraw/zinc/31/86/08/167318608.db2.gz SDUGZWZPUBKUCW-UHFFFAOYSA-N 1 2 245.348 0.333 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C[C@@H]1F ZINC000653280840 487609134 /nfs/dbraw/zinc/60/91/34/487609134.db2.gz MCOZLWOKXAQKPJ-GJMOJQLCSA-N 1 2 214.240 0.081 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C[C@@H]1F ZINC000653280840 487609141 /nfs/dbraw/zinc/60/91/41/487609141.db2.gz MCOZLWOKXAQKPJ-GJMOJQLCSA-N 1 2 214.240 0.081 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC(=O)N(C)C)n1 ZINC000653887916 487609143 /nfs/dbraw/zinc/60/91/43/487609143.db2.gz AQKJDMJSIKEMJC-UHFFFAOYSA-N 1 2 226.280 0.288 20 0 BCADLO Cc1noc(C[N@H+](C)CCC(=O)N(C)C)n1 ZINC000653887916 487609151 /nfs/dbraw/zinc/60/91/51/487609151.db2.gz AQKJDMJSIKEMJC-UHFFFAOYSA-N 1 2 226.280 0.288 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)C(=O)N1 ZINC000653281045 487609494 /nfs/dbraw/zinc/60/94/94/487609494.db2.gz VSIOXIZIXAFKEW-RNFRBKRXSA-N 1 2 248.229 0.105 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCC[C@@H](OC(F)F)C2)C(=O)N1 ZINC000653281045 487609497 /nfs/dbraw/zinc/60/94/97/487609497.db2.gz VSIOXIZIXAFKEW-RNFRBKRXSA-N 1 2 248.229 0.105 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662257971 409555091 /nfs/dbraw/zinc/55/50/91/409555091.db2.gz UBWMFFBUZVXMQM-QMMMGPOBSA-N 1 2 231.321 0.286 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662257971 409555102 /nfs/dbraw/zinc/55/51/02/409555102.db2.gz UBWMFFBUZVXMQM-QMMMGPOBSA-N 1 2 231.321 0.286 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662257968 409556950 /nfs/dbraw/zinc/55/69/50/409556950.db2.gz UBWMFFBUZVXMQM-MRVPVSSYSA-N 1 2 231.321 0.286 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662257968 409556963 /nfs/dbraw/zinc/55/69/63/409556963.db2.gz UBWMFFBUZVXMQM-MRVPVSSYSA-N 1 2 231.321 0.286 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H](OC)C2CC2)C1 ZINC000660728975 409670345 /nfs/dbraw/zinc/67/03/45/409670345.db2.gz MGNYPORBGOVBHI-LLVKDONJSA-N 1 2 247.360 0.530 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC000660729218 409670399 /nfs/dbraw/zinc/67/03/99/409670399.db2.gz WYVGPTKCNLAXSZ-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO CCc1nocc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660798175 409760694 /nfs/dbraw/zinc/76/06/94/409760694.db2.gz ACFWTLWHJWFPPK-UHFFFAOYSA-N 1 2 237.303 0.947 20 0 BCADLO OCC[C@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660838152 409826424 /nfs/dbraw/zinc/82/64/24/409826424.db2.gz RTZFXSBPVLQAIE-NSHDSACASA-N 1 2 238.335 0.832 20 0 BCADLO OCC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660838152 409826425 /nfs/dbraw/zinc/82/64/25/409826425.db2.gz RTZFXSBPVLQAIE-NSHDSACASA-N 1 2 238.335 0.832 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000660839451 409830232 /nfs/dbraw/zinc/83/02/32/409830232.db2.gz AIXHVMYNBBGYMT-QMMMGPOBSA-N 1 2 227.264 0.632 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000660839451 409830236 /nfs/dbraw/zinc/83/02/36/409830236.db2.gz AIXHVMYNBBGYMT-QMMMGPOBSA-N 1 2 227.264 0.632 20 0 BCADLO Cn1nccc1CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845087 409847123 /nfs/dbraw/zinc/84/71/23/409847123.db2.gz IWTZYDNKRMRZMR-UHFFFAOYSA-N 1 2 237.263 0.183 20 0 BCADLO Cn1nccc1CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845087 409847131 /nfs/dbraw/zinc/84/71/31/409847131.db2.gz IWTZYDNKRMRZMR-UHFFFAOYSA-N 1 2 237.263 0.183 20 0 BCADLO CN(C)C(=O)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845979 409848916 /nfs/dbraw/zinc/84/89/16/409848916.db2.gz VTLVZCOTEFFIOJ-UHFFFAOYSA-N 1 2 242.279 0.075 20 0 BCADLO CN(C)C(=O)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845979 409848923 /nfs/dbraw/zinc/84/89/23/409848923.db2.gz VTLVZCOTEFFIOJ-UHFFFAOYSA-N 1 2 242.279 0.075 20 0 BCADLO C[C@H](O)[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660813418 409783738 /nfs/dbraw/zinc/78/37/38/409783738.db2.gz VEBYILKRCCUGRZ-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)on1 ZINC000660833335 409814827 /nfs/dbraw/zinc/81/48/27/409814827.db2.gz NBDBYNRWPMHFFJ-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)on1 ZINC000660833335 409814835 /nfs/dbraw/zinc/81/48/35/409814835.db2.gz NBDBYNRWPMHFFJ-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)[C@H]1CCCOC1 ZINC000674754450 487612576 /nfs/dbraw/zinc/61/25/76/487612576.db2.gz RIYDDVUQGXZVJQ-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)[C@H]1CCCOC1 ZINC000674754450 487612583 /nfs/dbraw/zinc/61/25/83/487612583.db2.gz RIYDDVUQGXZVJQ-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO Cc1[nH+]cccc1Cn1cc(CO)nn1 ZINC000309016547 487612904 /nfs/dbraw/zinc/61/29/04/487612904.db2.gz RFEJGFNHXPDXHM-UHFFFAOYSA-N 1 2 204.233 0.522 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046512496 410179005 /nfs/dbraw/zinc/17/90/05/410179005.db2.gz ZWMAIMOQEOZRDG-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046512496 410179009 /nfs/dbraw/zinc/17/90/09/410179009.db2.gz ZWMAIMOQEOZRDG-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cncc(O)c1 ZINC000655392007 410194804 /nfs/dbraw/zinc/19/48/04/410194804.db2.gz AHOPPHJHWJVFGM-UHFFFAOYSA-N 1 2 246.270 0.678 20 0 BCADLO C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1[nH]cc[nH+]1 ZINC000655401939 410205316 /nfs/dbraw/zinc/20/53/16/410205316.db2.gz CNKJKUZDZMYXME-SSDOTTSWSA-N 1 2 247.258 0.490 20 0 BCADLO Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)nn1 ZINC000663544191 410288007 /nfs/dbraw/zinc/28/80/07/410288007.db2.gz DREPPERHSXKURL-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)nn1 ZINC000663544191 410288011 /nfs/dbraw/zinc/28/80/11/410288011.db2.gz DREPPERHSXKURL-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000661123397 410278878 /nfs/dbraw/zinc/27/88/78/410278878.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000661123397 410278883 /nfs/dbraw/zinc/27/88/83/410278883.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000661123397 410278889 /nfs/dbraw/zinc/27/88/89/410278889.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000661123397 410278898 /nfs/dbraw/zinc/27/88/98/410278898.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000661123397 410278903 /nfs/dbraw/zinc/27/89/03/410278903.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000661123397 410278908 /nfs/dbraw/zinc/27/89/08/410278908.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)CCO ZINC000121420591 410288975 /nfs/dbraw/zinc/28/89/75/410288975.db2.gz VARUEMGDOOGQOX-UHFFFAOYSA-N 1 2 209.249 0.846 20 0 BCADLO CO[C@@H](C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000661303437 410468929 /nfs/dbraw/zinc/46/89/29/410468929.db2.gz LENRRMNSUQKQSC-VIFPVBQESA-N 1 2 240.307 0.297 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1(O)CCC1 ZINC000664039405 410441279 /nfs/dbraw/zinc/44/12/79/410441279.db2.gz KGGBFQLCQXCGPV-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1(O)CCC1 ZINC000664039405 410441285 /nfs/dbraw/zinc/44/12/85/410441285.db2.gz KGGBFQLCQXCGPV-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO C[N@@H+]1CCO[C@H](CSc2cnccn2)C1 ZINC000664049293 410447854 /nfs/dbraw/zinc/44/78/54/410447854.db2.gz GAXNHFQZLIJICJ-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@H](CSc2cnccn2)C1 ZINC000664049293 410447862 /nfs/dbraw/zinc/44/78/62/410447862.db2.gz GAXNHFQZLIJICJ-VIFPVBQESA-N 1 2 225.317 0.899 20 0 BCADLO O[C@H]1CCN(CCCn2cc[nH+]c2)CC1(F)F ZINC000661410181 410621623 /nfs/dbraw/zinc/62/16/23/410621623.db2.gz RHSMOEWIEUYVJL-JTQLQIEISA-N 1 2 245.273 0.975 20 0 BCADLO C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000680582367 487618417 /nfs/dbraw/zinc/61/84/17/487618417.db2.gz BBNYSZUSVFJMJS-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccon1 ZINC000680582367 487618422 /nfs/dbraw/zinc/61/84/22/487618422.db2.gz BBNYSZUSVFJMJS-LLVKDONJSA-N 1 2 239.275 0.460 20 0 BCADLO C[C@@H]1COCCN1c1cc(CO)cc[nH+]1 ZINC000040877983 410893951 /nfs/dbraw/zinc/89/39/51/410893951.db2.gz FHGFOCDHQTWVFK-SECBINFHSA-N 1 2 208.261 0.799 20 0 BCADLO OCc1cc[nH+]c(N2CCC(O)CC2)c1 ZINC000040864761 410896119 /nfs/dbraw/zinc/89/61/19/410896119.db2.gz XKJFHMIAXHWSAX-UHFFFAOYSA-N 1 2 208.261 0.535 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000040864134 410896635 /nfs/dbraw/zinc/89/66/35/410896635.db2.gz MILPJRRIKUCMDW-VIFPVBQESA-N 1 2 208.261 0.799 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000171948217 167049909 /nfs/dbraw/zinc/04/99/09/167049909.db2.gz OQHIKGWDHVASII-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000120637806 167051295 /nfs/dbraw/zinc/05/12/95/167051295.db2.gz JBUXJHHNKULAQD-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000120637806 167051300 /nfs/dbraw/zinc/05/13/00/167051300.db2.gz JBUXJHHNKULAQD-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO CC(C)NC(=O)NCCCn1cc[nH+]c1 ZINC000048727473 167071792 /nfs/dbraw/zinc/07/17/92/167071792.db2.gz JIDITDGDKPZQSV-UHFFFAOYSA-N 1 2 210.281 0.981 20 0 BCADLO CC(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364024145 167081390 /nfs/dbraw/zinc/08/13/90/167081390.db2.gz VRGKZCDTGDIESS-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]CCCO)C(C)C ZINC000238177957 167168420 /nfs/dbraw/zinc/16/84/20/167168420.db2.gz WKIKWSUHCDIKDR-JTQLQIEISA-N 1 2 217.309 0.935 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCn1cncn1 ZINC000268342944 167170257 /nfs/dbraw/zinc/17/02/57/167170257.db2.gz LLSSKPLFMBAAEB-JTQLQIEISA-N 1 2 240.307 0.550 20 0 BCADLO CC(C)OCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000339731412 167179609 /nfs/dbraw/zinc/17/96/09/167179609.db2.gz QLZXLSMMSBMGKA-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO CC(C)OCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358821781 167235966 /nfs/dbraw/zinc/23/59/66/167235966.db2.gz XJOLODBHQLHNEH-VIFPVBQESA-N 1 2 232.349 0.314 20 0 BCADLO CC(C)OCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358821781 167235968 /nfs/dbraw/zinc/23/59/68/167235968.db2.gz XJOLODBHQLHNEH-VIFPVBQESA-N 1 2 232.349 0.314 20 0 BCADLO CC(C)OCc1nc([C@H](C)[NH2+]CCO)no1 ZINC000309310914 167272326 /nfs/dbraw/zinc/27/23/26/167272326.db2.gz BVTZLNRNGAALIR-QMMMGPOBSA-N 1 2 229.280 0.638 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC000364221574 167272677 /nfs/dbraw/zinc/27/26/77/167272677.db2.gz SUMWSYSESWDMJO-GFCCVEGCSA-N 1 2 247.335 0.121 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC000364221574 167272678 /nfs/dbraw/zinc/27/26/78/167272678.db2.gz SUMWSYSESWDMJO-GFCCVEGCSA-N 1 2 247.335 0.121 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593994 167373737 /nfs/dbraw/zinc/37/37/37/167373737.db2.gz UIZALZDPJBPBTR-ZYHUDNBSSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338593994 167373739 /nfs/dbraw/zinc/37/37/39/167373739.db2.gz UIZALZDPJBPBTR-ZYHUDNBSSA-N 1 2 246.326 0.553 20 0 BCADLO NC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000450926261 410955456 /nfs/dbraw/zinc/95/54/56/410955456.db2.gz WRJAZYZVDROMKI-ZJUUUORDSA-N 1 2 246.314 1.420 20 0 BCADLO Cc1nc(N(C)[C@@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000651471258 411052949 /nfs/dbraw/zinc/05/29/49/411052949.db2.gz OIXWAKPWDLHURF-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)CCO)[nH+]1 ZINC000651471258 411052958 /nfs/dbraw/zinc/05/29/58/411052958.db2.gz OIXWAKPWDLHURF-QMMMGPOBSA-N 1 2 239.323 0.453 20 0 BCADLO O=C1CC[C@H]2C[N@H+](CC(F)F)CC[C@@H]2N1 ZINC000661603809 411025665 /nfs/dbraw/zinc/02/56/65/411025665.db2.gz WHEMGRCOOZSCLB-YUMQZZPRSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](CC(F)F)CC[C@@H]2N1 ZINC000661603809 411025670 /nfs/dbraw/zinc/02/56/70/411025670.db2.gz WHEMGRCOOZSCLB-YUMQZZPRSA-N 1 2 218.247 0.852 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H]1COCCO1 ZINC000661604830 411031239 /nfs/dbraw/zinc/03/12/39/411031239.db2.gz MPYLEZKHHHCJPQ-JTQLQIEISA-N 1 2 225.292 0.267 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000661604830 411031243 /nfs/dbraw/zinc/03/12/43/411031243.db2.gz MPYLEZKHHHCJPQ-JTQLQIEISA-N 1 2 225.292 0.267 20 0 BCADLO CCCc1cc(C(=O)NCCn2cc[nH+]c2)[nH]n1 ZINC000042720690 411036403 /nfs/dbraw/zinc/03/64/03/411036403.db2.gz PSVRGVJTPKAOCW-UHFFFAOYSA-N 1 2 247.302 0.989 20 0 BCADLO Cc1nc(N(C)C)nc(NCCC[C@H](C)O)[nH+]1 ZINC000432827617 411150358 /nfs/dbraw/zinc/15/03/58/411150358.db2.gz DHRUBIAEANQHLD-QMMMGPOBSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(NCCC[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000432827617 411150359 /nfs/dbraw/zinc/15/03/59/411150359.db2.gz DHRUBIAEANQHLD-QMMMGPOBSA-N 1 2 239.323 0.819 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)on1 ZINC000653637496 411153110 /nfs/dbraw/zinc/15/31/10/411153110.db2.gz KWOAJWOTHZAAEJ-CBAPKCEASA-N 1 2 224.260 0.832 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)on1 ZINC000653637496 411153112 /nfs/dbraw/zinc/15/31/12/411153112.db2.gz KWOAJWOTHZAAEJ-CBAPKCEASA-N 1 2 224.260 0.832 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636507 411153258 /nfs/dbraw/zinc/15/32/58/411153258.db2.gz AVHTWKVDKFTLLS-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000653636507 411153261 /nfs/dbraw/zinc/15/32/61/411153261.db2.gz AVHTWKVDKFTLLS-RKDXNWHRSA-N 1 2 248.273 0.215 20 0 BCADLO CC1(C)C[N@H+](Cc2cn[nH]c2)[C@@H]2COC[C@H]2O1 ZINC000652064918 411103472 /nfs/dbraw/zinc/10/34/72/411103472.db2.gz FFEDCUQMOXVFKK-GHMZBOCLSA-N 1 2 237.303 0.788 20 0 BCADLO CC1(C)C[N@@H+](Cc2cn[nH]c2)[C@@H]2COC[C@H]2O1 ZINC000652064918 411103475 /nfs/dbraw/zinc/10/34/75/411103475.db2.gz FFEDCUQMOXVFKK-GHMZBOCLSA-N 1 2 237.303 0.788 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1(CO)CC1 ZINC000651571709 411124525 /nfs/dbraw/zinc/12/45/25/411124525.db2.gz VJXQBZUFZMPCRF-UHFFFAOYSA-N 1 2 249.314 0.403 20 0 BCADLO C[C@H]1C[C@@H](O)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000401658511 411169340 /nfs/dbraw/zinc/16/93/40/411169340.db2.gz TXYLJZCUVAJBEN-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1C[C@@H](O)CN(c2[nH+]cnc(N)c2Cl)C1 ZINC000401658511 411169344 /nfs/dbraw/zinc/16/93/44/411169344.db2.gz TXYLJZCUVAJBEN-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777123 411171911 /nfs/dbraw/zinc/17/19/11/411171911.db2.gz MITZPYSQWRODAF-BBBLOLIVSA-N 1 2 221.260 0.319 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C1COCCOC1 ZINC000309599309 411179232 /nfs/dbraw/zinc/17/92/32/411179232.db2.gz XESHXCBFKVYZAU-QMMMGPOBSA-N 1 2 225.292 0.784 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(=O)NC1CC1 ZINC000656106709 411179398 /nfs/dbraw/zinc/17/93/98/411179398.db2.gz YOZKJWRZIDNWJC-UHFFFAOYSA-N 1 2 236.275 0.484 20 0 BCADLO COc1c(C)[nH+]cnc1NCCNC(C)=O ZINC000656105968 411179428 /nfs/dbraw/zinc/17/94/28/411179428.db2.gz OKEWLUURFGNHAJ-UHFFFAOYSA-N 1 2 224.264 0.342 20 0 BCADLO COc1c(C)[nH+]cnc1N1CCC(O)CC1 ZINC000656106025 411179606 /nfs/dbraw/zinc/17/96/06/411179606.db2.gz VEMKQBKYXAVUPZ-UHFFFAOYSA-N 1 2 223.276 0.755 20 0 BCADLO CCNC(=O)CNc1nc[nH+]c(C)c1OC ZINC000656105913 411179738 /nfs/dbraw/zinc/17/97/38/411179738.db2.gz YBUYFGKMGXCRDZ-UHFFFAOYSA-N 1 2 224.264 0.342 20 0 BCADLO CNC(=O)CCNc1nc[nH+]c(C)c1OC ZINC000656110336 411180457 /nfs/dbraw/zinc/18/04/57/411180457.db2.gz HYYIOWAQNLWJOK-UHFFFAOYSA-N 1 2 224.264 0.342 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1CC(=O)N(C)C1 ZINC000656127649 411183501 /nfs/dbraw/zinc/18/35/01/411183501.db2.gz SYNIOVFJFBKXKN-QMMMGPOBSA-N 1 2 236.275 0.436 20 0 BCADLO Cc1nnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)o1 ZINC000342015450 411186801 /nfs/dbraw/zinc/18/68/01/411186801.db2.gz VOBMTDNGHWQJSY-DTWKUNHWSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H]1CNC(=O)C1 ZINC000656153355 411188352 /nfs/dbraw/zinc/18/83/52/411188352.db2.gz PMLBIKROYNLWHD-QMMMGPOBSA-N 1 2 206.249 0.394 20 0 BCADLO O=C(NCCO)NCc1cn2ccccc2[nH+]1 ZINC000042875936 411191149 /nfs/dbraw/zinc/19/11/49/411191149.db2.gz COAXXNVJTUONKV-UHFFFAOYSA-N 1 2 234.259 0.126 20 0 BCADLO COC1([C@@H](C)[NH2+]Cc2nnn(C)n2)CCC1 ZINC000657994090 411192007 /nfs/dbraw/zinc/19/20/07/411192007.db2.gz BLBWXTGCHOSNHF-MRVPVSSYSA-N 1 2 225.296 0.257 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)O[C@@H](CO)C1 ZINC000656180837 411192864 /nfs/dbraw/zinc/19/28/64/411192864.db2.gz OEZKHAQJONVKLC-MWLCHTKSSA-N 1 2 237.303 0.679 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000070628062 411193631 /nfs/dbraw/zinc/19/36/31/411193631.db2.gz FAZZMIDRMUYBDP-VIFPVBQESA-N 1 2 208.265 0.086 20 0 BCADLO CC[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656190471 411197110 /nfs/dbraw/zinc/19/71/10/411197110.db2.gz DJDYXVKKLLJJIL-QMMMGPOBSA-N 1 2 211.265 0.976 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCC(=O)N2)n1 ZINC000653847100 411198921 /nfs/dbraw/zinc/19/89/21/411198921.db2.gz SELWPEZEQWTPBH-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCC(=O)N2)n1 ZINC000653847100 411198924 /nfs/dbraw/zinc/19/89/24/411198924.db2.gz SELWPEZEQWTPBH-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000655762292 411203254 /nfs/dbraw/zinc/20/32/54/411203254.db2.gz VZOJZKDIWKPCKC-JGVFFNPUSA-N 1 2 227.337 0.584 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCO1 ZINC000653875218 411205671 /nfs/dbraw/zinc/20/56/71/411205671.db2.gz RQCDGJXKBDNAKU-VHSXEESVSA-N 1 2 239.323 0.647 20 0 BCADLO CO[C@@](C)(CO)CNc1cc[nH+]c2ccncc12 ZINC000656207281 411208555 /nfs/dbraw/zinc/20/85/55/411208555.db2.gz VPIYDCKIQFVNCI-CYBMUJFWSA-N 1 2 247.298 0.861 20 0 BCADLO CCc1cc(NC[C@@](C)(CO)OC)nc[nH+]1 ZINC000656206001 411208822 /nfs/dbraw/zinc/20/88/22/411208822.db2.gz MVNCGHUHJHMDOC-NSHDSACASA-N 1 2 225.292 0.848 20 0 BCADLO Cc1cc(N[C@H]2CCc3c(nnn3C)C2)nc[nH+]1 ZINC000656219703 411212203 /nfs/dbraw/zinc/21/22/03/411212203.db2.gz YKXOINVUJSSUMK-VIFPVBQESA-N 1 2 244.302 0.883 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)n1C ZINC000653895670 411212598 /nfs/dbraw/zinc/21/25/98/411212598.db2.gz CGEIYDCJRKLEJV-MRVPVSSYSA-N 1 2 224.308 0.469 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)n1C ZINC000653895670 411212599 /nfs/dbraw/zinc/21/25/99/411212599.db2.gz CGEIYDCJRKLEJV-MRVPVSSYSA-N 1 2 224.308 0.469 20 0 BCADLO O[C@H]1CCC[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000656434146 411246530 /nfs/dbraw/zinc/24/65/30/411246530.db2.gz POUITLVIJZJGEL-QWRGUYRKSA-N 1 2 233.275 0.609 20 0 BCADLO C[C@H](O)C[N@H+](Cc1cn(C)nn1)C1CC1 ZINC000653902335 411217509 /nfs/dbraw/zinc/21/75/09/411217509.db2.gz QIKVHCQTNGSCKB-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1cn(C)nn1)C1CC1 ZINC000653902335 411217511 /nfs/dbraw/zinc/21/75/11/411217511.db2.gz QIKVHCQTNGSCKB-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc2n(n1)CCC2 ZINC000658052572 411219980 /nfs/dbraw/zinc/21/99/80/411219980.db2.gz MEINXTOZHXKSPA-SCZZXKLOSA-N 1 2 234.303 0.368 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCOC2)c1 ZINC000313462687 411246898 /nfs/dbraw/zinc/24/68/98/411246898.db2.gz QMFFWACHRKNUSU-SNVBAGLBSA-N 1 2 238.291 0.051 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)[C@@H](C)CO ZINC000124660474 167799775 /nfs/dbraw/zinc/79/97/75/167799775.db2.gz HRFALCGWXXYCDC-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H](C)CO ZINC000124660474 167799777 /nfs/dbraw/zinc/79/97/77/167799777.db2.gz HRFALCGWXXYCDC-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CCN1CC[C@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000660090255 411225864 /nfs/dbraw/zinc/22/58/64/411225864.db2.gz BLPRDJOYHLYAAT-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000660090255 411225866 /nfs/dbraw/zinc/22/58/66/411225866.db2.gz BLPRDJOYHLYAAT-JTQLQIEISA-N 1 2 222.292 0.462 20 0 BCADLO Cc1ccsc1C[NH2+]Cc1nnn(C)n1 ZINC000235809644 411230487 /nfs/dbraw/zinc/23/04/87/411230487.db2.gz GEEOKZACNJEHQD-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO C[C@@H](NS(=O)(=O)N1CCC1)c1[nH+]ccn1C ZINC000660101100 411231152 /nfs/dbraw/zinc/23/11/52/411231152.db2.gz PAILTHKUZPZUNQ-MRVPVSSYSA-N 1 2 244.320 0.021 20 0 BCADLO CCCNS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660102513 411231938 /nfs/dbraw/zinc/23/19/38/411231938.db2.gz VCAVFJOGHBZXKW-QMMMGPOBSA-N 1 2 246.336 0.315 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C3CCC3)CC2)C1 ZINC000652868368 411232804 /nfs/dbraw/zinc/23/28/04/411232804.db2.gz AGGGMTNFXTUJGP-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C3CCC3)CC2)C1 ZINC000652868368 411232807 /nfs/dbraw/zinc/23/28/07/411232807.db2.gz AGGGMTNFXTUJGP-NSHDSACASA-N 1 2 238.331 0.766 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOCC12CCC2 ZINC000660118351 411237224 /nfs/dbraw/zinc/23/72/24/411237224.db2.gz UNMHJQWITUWECW-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOCC12CCC2 ZINC000660118351 411237227 /nfs/dbraw/zinc/23/72/27/411237227.db2.gz UNMHJQWITUWECW-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO c1n[nH]nc1CC[N@@H+]1CCOCC12CCC2 ZINC000660118351 411237230 /nfs/dbraw/zinc/23/72/30/411237230.db2.gz UNMHJQWITUWECW-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO c1n[nH]nc1CC[N@H+]1CCOCC12CCC2 ZINC000660118351 411237232 /nfs/dbraw/zinc/23/72/32/411237232.db2.gz UNMHJQWITUWECW-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO O[C@]1(C[N@@H+]2CCc3cn[nH]c3C2)CCCOC1 ZINC000660118142 411238211 /nfs/dbraw/zinc/23/82/11/411238211.db2.gz ADNDJRNFGINTPW-LBPRGKRZSA-N 1 2 237.303 0.309 20 0 BCADLO O[C@]1(C[N@H+]2CCc3cn[nH]c3C2)CCCOC1 ZINC000660118142 411238214 /nfs/dbraw/zinc/23/82/14/411238214.db2.gz ADNDJRNFGINTPW-LBPRGKRZSA-N 1 2 237.303 0.309 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649207933 411264960 /nfs/dbraw/zinc/26/49/60/411264960.db2.gz DTMLYLUWNJOLSI-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N)nc1 ZINC000050815327 411265889 /nfs/dbraw/zinc/26/58/89/411265889.db2.gz KUBPOKJOJHECOZ-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N)nc1 ZINC000050815327 411265893 /nfs/dbraw/zinc/26/58/93/411265893.db2.gz KUBPOKJOJHECOZ-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)nc1 ZINC000050710103 411266055 /nfs/dbraw/zinc/26/60/55/411266055.db2.gz WAZLLYIQIXIZJE-VIFPVBQESA-N 1 2 245.286 0.679 20 0 BCADLO COCC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658158160 411271163 /nfs/dbraw/zinc/27/11/63/411271163.db2.gz GQFGXPPZFMOTTO-QMMMGPOBSA-N 1 2 228.296 0.466 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2CCCC2)nn1 ZINC000656451138 411273631 /nfs/dbraw/zinc/27/36/31/411273631.db2.gz MKUNGOLKIPOSHH-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2CCCC2)nn1 ZINC000656451138 411273632 /nfs/dbraw/zinc/27/36/32/411273632.db2.gz MKUNGOLKIPOSHH-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO Cc1nc(N[C@H](C)c2cccnc2)nc(N)[nH+]1 ZINC000379966018 411277409 /nfs/dbraw/zinc/27/74/09/411277409.db2.gz LSUYKYRSBXGQQL-SSDOTTSWSA-N 1 2 230.275 0.752 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)c2cccnc2)[nH+]1 ZINC000379966018 411277415 /nfs/dbraw/zinc/27/74/15/411277415.db2.gz LSUYKYRSBXGQQL-SSDOTTSWSA-N 1 2 230.275 0.752 20 0 BCADLO Cc1nc(N[C@H](C)Cc2ccncc2)nc(N)[nH+]1 ZINC000631151164 411278064 /nfs/dbraw/zinc/27/80/64/411278064.db2.gz GMQCTRRFLAPQFB-MRVPVSSYSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)Cc2ccncc2)[nH+]1 ZINC000631151164 411278068 /nfs/dbraw/zinc/27/80/68/411278068.db2.gz GMQCTRRFLAPQFB-MRVPVSSYSA-N 1 2 244.302 0.622 20 0 BCADLO Cc1nc(N2CCSC[C@H](C)C2)nc(N)[nH+]1 ZINC000380339017 411283105 /nfs/dbraw/zinc/28/31/05/411283105.db2.gz KHCYMFIMIAMYMS-SSDOTTSWSA-N 1 2 239.348 0.952 20 0 BCADLO Cc1nc(N)nc(N2CCSC[C@H](C)C2)[nH+]1 ZINC000380339017 411283108 /nfs/dbraw/zinc/28/31/08/411283108.db2.gz KHCYMFIMIAMYMS-SSDOTTSWSA-N 1 2 239.348 0.952 20 0 BCADLO Cc1nc(N2CCC[C@](O)(C3CC3)C2)nc(N)[nH+]1 ZINC000631361804 411284051 /nfs/dbraw/zinc/28/40/51/411284051.db2.gz WWOMICLEZSETFR-GFCCVEGCSA-N 1 2 249.318 0.504 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@](O)(C3CC3)C2)[nH+]1 ZINC000631361804 411284052 /nfs/dbraw/zinc/28/40/52/411284052.db2.gz WWOMICLEZSETFR-GFCCVEGCSA-N 1 2 249.318 0.504 20 0 BCADLO CCc1noc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660575379 411328767 /nfs/dbraw/zinc/32/87/67/411328767.db2.gz WMMWDOOSMGCGHF-UHFFFAOYSA-N 1 2 233.275 0.844 20 0 BCADLO CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656547788 411294906 /nfs/dbraw/zinc/29/49/06/411294906.db2.gz MUUAMZOUVRDVMG-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](O)C1CC1 ZINC000568335228 411299570 /nfs/dbraw/zinc/29/95/70/411299570.db2.gz SXJWOJLYKMJPBZ-JTQLQIEISA-N 1 2 207.277 1.276 20 0 BCADLO CCN1CC[C@@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000659814731 411301597 /nfs/dbraw/zinc/30/15/97/411301597.db2.gz URHIYGILAUMBQE-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000659814731 411301600 /nfs/dbraw/zinc/30/16/00/411301600.db2.gz URHIYGILAUMBQE-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2cn(C)nn2)O1 ZINC000661744335 411301783 /nfs/dbraw/zinc/30/17/83/411301783.db2.gz GLEYWLBTCUQUSR-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2cn(C)nn2)O1 ZINC000661744335 411301785 /nfs/dbraw/zinc/30/17/85/411301785.db2.gz GLEYWLBTCUQUSR-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO OCCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000052223083 411303160 /nfs/dbraw/zinc/30/31/60/411303160.db2.gz BPDHKKTWMRLHHN-UHFFFAOYSA-N 1 2 243.270 0.509 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2ccccn2)C1=O ZINC000660240801 411304047 /nfs/dbraw/zinc/30/40/47/411304047.db2.gz AAVOTXWAQLKGOA-MWLCHTKSSA-N 1 2 235.287 0.895 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC000659828838 411311672 /nfs/dbraw/zinc/31/16/72/411311672.db2.gz IVKDBOUCBOJOCI-IUCAKERBSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC000659828838 411311674 /nfs/dbraw/zinc/31/16/74/411311674.db2.gz IVKDBOUCBOJOCI-IUCAKERBSA-N 1 2 224.308 0.885 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660557819 411319630 /nfs/dbraw/zinc/31/96/30/411319630.db2.gz TUYUBLXDMAMGBZ-VXNVDRBHSA-N 1 2 208.265 0.960 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660557819 411319633 /nfs/dbraw/zinc/31/96/33/411319633.db2.gz TUYUBLXDMAMGBZ-VXNVDRBHSA-N 1 2 208.265 0.960 20 0 BCADLO C[C@@H](CC(=O)N[C@H](CO)CCF)n1cc[nH+]c1 ZINC000652908498 411322285 /nfs/dbraw/zinc/32/22/85/411322285.db2.gz DVIGHKQMDFYZFK-UWVGGRQHSA-N 1 2 243.282 0.671 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000659839399 411323002 /nfs/dbraw/zinc/32/30/02/411323002.db2.gz WODHGUNRDHXMDS-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000659839399 411323003 /nfs/dbraw/zinc/32/30/03/411323003.db2.gz WODHGUNRDHXMDS-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC1(F)C[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000656699055 411324346 /nfs/dbraw/zinc/32/43/46/411324346.db2.gz IAAKOLMNABYIRL-JTQLQIEISA-N 1 2 203.257 0.572 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)on1 ZINC000660134309 411251871 /nfs/dbraw/zinc/25/18/71/411251871.db2.gz OSIHROHJJDGRPU-MRVPVSSYSA-N 1 2 225.248 0.004 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)on1 ZINC000660134309 411251874 /nfs/dbraw/zinc/25/18/74/411251874.db2.gz OSIHROHJJDGRPU-MRVPVSSYSA-N 1 2 225.248 0.004 20 0 BCADLO C[C@@H](CN(C)Cc1[nH]cc[nH+]1)S(C)(=O)=O ZINC000660142382 411258311 /nfs/dbraw/zinc/25/83/11/411258311.db2.gz WCGFHRBGDYACPU-QMMMGPOBSA-N 1 2 231.321 0.275 20 0 BCADLO O=C(C[NH2+]Cc1cc2n(n1)CCCC2)NC1CC1 ZINC000655708518 411258856 /nfs/dbraw/zinc/25/88/56/411258856.db2.gz JTJZCMUBGUZEMP-UHFFFAOYSA-N 1 2 248.330 0.588 20 0 BCADLO CC(C)CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656442102 411261126 /nfs/dbraw/zinc/26/11/26/411261126.db2.gz AKRROFCXESBLRH-NSHDSACASA-N 1 2 224.308 0.985 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660276408 411360631 /nfs/dbraw/zinc/36/06/31/411360631.db2.gz CKDNISNFXMTSHQ-ILWJIGKKSA-N 1 2 234.303 0.845 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660276408 411360633 /nfs/dbraw/zinc/36/06/33/411360633.db2.gz CKDNISNFXMTSHQ-ILWJIGKKSA-N 1 2 234.303 0.845 20 0 BCADLO O=C1N=NC2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN12 ZINC000660276408 411360635 /nfs/dbraw/zinc/36/06/35/411360635.db2.gz CKDNISNFXMTSHQ-ILWJIGKKSA-N 1 2 234.303 0.845 20 0 BCADLO O=C1N=NC2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN12 ZINC000660276408 411360637 /nfs/dbraw/zinc/36/06/37/411360637.db2.gz CKDNISNFXMTSHQ-ILWJIGKKSA-N 1 2 234.303 0.845 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000652958256 411361868 /nfs/dbraw/zinc/36/18/68/411361868.db2.gz HJCIDVVFYXYJMR-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)[nH]1 ZINC000662141807 411366318 /nfs/dbraw/zinc/36/63/18/411366318.db2.gz HAQKLMYVOHROAF-SKDRFNHKSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)[nH]1 ZINC000662141807 411366320 /nfs/dbraw/zinc/36/63/20/411366320.db2.gz HAQKLMYVOHROAF-SKDRFNHKSA-N 1 2 238.335 0.817 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1CCc1c[nH]nn1 ZINC000660644050 411369322 /nfs/dbraw/zinc/36/93/22/411369322.db2.gz GSPMMAXZRYJXJC-NSHDSACASA-N 1 2 223.324 0.373 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1CCc1c[nH]nn1 ZINC000660644050 411369327 /nfs/dbraw/zinc/36/93/27/411369327.db2.gz GSPMMAXZRYJXJC-NSHDSACASA-N 1 2 223.324 0.373 20 0 BCADLO CCc1nnc(CN2CCn3c[nH+]cc3C2)[nH]1 ZINC000660581804 411334552 /nfs/dbraw/zinc/33/45/52/411334552.db2.gz JWWSCUDMAFPBGG-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CC1(C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000288606516 168001099 /nfs/dbraw/zinc/00/10/99/168001099.db2.gz QOXDHUPDXNUGDK-BDAKNGLRSA-N 1 2 237.303 0.618 20 0 BCADLO CC[C@](C)(CO)C(=O)NCCCn1cc[nH+]c1 ZINC000654370024 411379387 /nfs/dbraw/zinc/37/93/87/411379387.db2.gz WTCAGQHOLIJSSS-GFCCVEGCSA-N 1 2 239.319 0.798 20 0 BCADLO CC1=CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000280967530 168099448 /nfs/dbraw/zinc/09/94/48/168099448.db2.gz ZTKMEPPGWHOUNE-UHFFFAOYSA-N 1 2 220.280 0.188 20 0 BCADLO CC1=CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000280967530 168099450 /nfs/dbraw/zinc/09/94/50/168099450.db2.gz ZTKMEPPGWHOUNE-UHFFFAOYSA-N 1 2 220.280 0.188 20 0 BCADLO CC1=CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000280893886 168099594 /nfs/dbraw/zinc/09/95/94/168099594.db2.gz QHXYPPORSCELEJ-VIFPVBQESA-N 1 2 207.281 0.923 20 0 BCADLO CC1=CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000280893886 168099595 /nfs/dbraw/zinc/09/95/95/168099595.db2.gz QHXYPPORSCELEJ-VIFPVBQESA-N 1 2 207.281 0.923 20 0 BCADLO CC1=CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000280893884 168099710 /nfs/dbraw/zinc/09/97/10/168099710.db2.gz QHXYPPORSCELEJ-SECBINFHSA-N 1 2 207.281 0.923 20 0 BCADLO CC1=CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000280893884 168099711 /nfs/dbraw/zinc/09/97/11/168099711.db2.gz QHXYPPORSCELEJ-SECBINFHSA-N 1 2 207.281 0.923 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000336242312 168196687 /nfs/dbraw/zinc/19/66/87/168196687.db2.gz BBAAXONLEWPRCD-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000336242312 168196689 /nfs/dbraw/zinc/19/66/89/168196689.db2.gz BBAAXONLEWPRCD-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000659294643 411390341 /nfs/dbraw/zinc/39/03/41/411390341.db2.gz MSAKNIWYYOAHQN-MRVPVSSYSA-N 1 2 225.248 0.264 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000106803197 168222991 /nfs/dbraw/zinc/22/29/91/168222991.db2.gz MZUIXIJMKXRYJV-GFCCVEGCSA-N 1 2 239.363 0.635 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000134155593 168240398 /nfs/dbraw/zinc/24/03/98/168240398.db2.gz AVMUSWGEHMTMMU-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000134155593 168240400 /nfs/dbraw/zinc/24/04/00/168240400.db2.gz AVMUSWGEHMTMMU-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622349 168289584 /nfs/dbraw/zinc/28/95/84/168289584.db2.gz BIICKQHEEIOGOK-LBPRGKRZSA-N 1 2 246.326 0.698 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622349 168289585 /nfs/dbraw/zinc/28/95/85/168289585.db2.gz BIICKQHEEIOGOK-LBPRGKRZSA-N 1 2 246.326 0.698 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340223178 168290528 /nfs/dbraw/zinc/29/05/28/168290528.db2.gz SPECLRKPXMCSOL-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340223178 168290530 /nfs/dbraw/zinc/29/05/30/168290530.db2.gz SPECLRKPXMCSOL-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330582540 168290880 /nfs/dbraw/zinc/29/08/80/168290880.db2.gz UUWBAIAVPKKBPU-UWVGGRQHSA-N 1 2 246.326 0.696 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330582540 168290882 /nfs/dbraw/zinc/29/08/82/168290882.db2.gz UUWBAIAVPKKBPU-UWVGGRQHSA-N 1 2 246.326 0.696 20 0 BCADLO CCC[C@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654848061 411455219 /nfs/dbraw/zinc/45/52/19/411455219.db2.gz XEHWRROMLQDMRK-ZDUSSCGKSA-N 1 2 242.363 0.996 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657302986 411456437 /nfs/dbraw/zinc/45/64/37/411456437.db2.gz LKHJGYOQDNAEBU-KOLCDFICSA-N 1 2 249.318 0.619 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657302986 411456439 /nfs/dbraw/zinc/45/64/39/411456439.db2.gz LKHJGYOQDNAEBU-KOLCDFICSA-N 1 2 249.318 0.619 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000659811627 411460659 /nfs/dbraw/zinc/46/06/59/411460659.db2.gz GTYQNSBSPOOQTF-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000659811627 411460660 /nfs/dbraw/zinc/46/06/60/411460660.db2.gz GTYQNSBSPOOQTF-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(Cc1cncc(O)c1)NCc1[nH]cc[nH+]1 ZINC000579987308 411394876 /nfs/dbraw/zinc/39/48/76/411394876.db2.gz RLROZZBZSSJMQN-UHFFFAOYSA-N 1 2 232.243 0.369 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000657094010 411405807 /nfs/dbraw/zinc/40/58/07/411405807.db2.gz YLLAFLXSKHPNCL-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000657094010 411405811 /nfs/dbraw/zinc/40/58/11/411405811.db2.gz YLLAFLXSKHPNCL-GHMZBOCLSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1cc(N[C@H](CO)[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000413456152 411407124 /nfs/dbraw/zinc/40/71/24/411407124.db2.gz SXCIMBRQDGWLEL-PSASIEDQSA-N 1 2 237.303 0.816 20 0 BCADLO FC1(F)C[C@H]1OCC[NH+]1CCOCC1 ZINC000659814858 411461923 /nfs/dbraw/zinc/46/19/23/411461923.db2.gz XLCGZHOLUQYILH-MRVPVSSYSA-N 1 2 207.220 0.743 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CCn2cccn2)n1 ZINC000653553534 411420668 /nfs/dbraw/zinc/42/06/68/411420668.db2.gz UCXJBDRROYMKJB-UHFFFAOYSA-N 1 2 249.322 0.414 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc[nH]n1 ZINC000654636363 411420683 /nfs/dbraw/zinc/42/06/83/411420683.db2.gz YZFKPZOIFHXOPC-SSDOTTSWSA-N 1 2 219.248 0.950 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc[nH]n1 ZINC000654636363 411420685 /nfs/dbraw/zinc/42/06/85/411420685.db2.gz YZFKPZOIFHXOPC-SSDOTTSWSA-N 1 2 219.248 0.950 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(C)C(=O)C1 ZINC000269611845 411424224 /nfs/dbraw/zinc/42/42/24/411424224.db2.gz PUEKYXUSZUBQLW-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000269611845 411424229 /nfs/dbraw/zinc/42/42/29/411424229.db2.gz PUEKYXUSZUBQLW-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000269607830 411424505 /nfs/dbraw/zinc/42/45/05/411424505.db2.gz XYOAOYPMYFFJMU-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccncc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000269607830 411424506 /nfs/dbraw/zinc/42/45/06/411424506.db2.gz XYOAOYPMYFFJMU-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO CO[C@@H](COCc1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000657255649 411428703 /nfs/dbraw/zinc/42/87/03/411428703.db2.gz NLHDYJCVTANULJ-ZJUUUORDSA-N 1 2 226.276 0.978 20 0 BCADLO CO[C@H](COCc1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000657255646 411428846 /nfs/dbraw/zinc/42/88/46/411428846.db2.gz NLHDYJCVTANULJ-NXEZZACHSA-N 1 2 226.276 0.978 20 0 BCADLO O=C1CCC(=O)N1CC[N@H+]1CCC=C(F)C1 ZINC000272611077 411434253 /nfs/dbraw/zinc/43/42/53/411434253.db2.gz ZYOSOFVSSZAPRN-UHFFFAOYSA-N 1 2 226.251 0.695 20 0 BCADLO O=C1CCC(=O)N1CC[N@@H+]1CCC=C(F)C1 ZINC000272611077 411434255 /nfs/dbraw/zinc/43/42/55/411434255.db2.gz ZYOSOFVSSZAPRN-UHFFFAOYSA-N 1 2 226.251 0.695 20 0 BCADLO COc1cc[nH+]cc1Cn1nc(C)oc1=O ZINC000657278777 411439265 /nfs/dbraw/zinc/43/92/65/411439265.db2.gz GKZZGTWAKMTFHF-UHFFFAOYSA-N 1 2 221.216 0.597 20 0 BCADLO Cc1nn(CCCc2c[nH+]cn2C)c(=O)o1 ZINC000657279522 411440281 /nfs/dbraw/zinc/44/02/81/411440281.db2.gz QQBBMTHGGCCKOK-UHFFFAOYSA-N 1 2 222.248 0.511 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](CC)CC2)n[nH]1 ZINC000126637118 411449271 /nfs/dbraw/zinc/44/92/71/411449271.db2.gz BNTXPLUBLJJRKN-UHFFFAOYSA-N 1 2 236.319 0.750 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1c[nH+]c[nH]1 ZINC000654819445 411450436 /nfs/dbraw/zinc/45/04/36/411450436.db2.gz JUZPVKPETWYLAR-UHFFFAOYSA-N 1 2 225.292 0.825 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1c[nH]c[nH+]1 ZINC000654819445 411450439 /nfs/dbraw/zinc/45/04/39/411450439.db2.gz JUZPVKPETWYLAR-UHFFFAOYSA-N 1 2 225.292 0.825 20 0 BCADLO C[C@@H](C(=O)N1C[C@@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000654824323 411451553 /nfs/dbraw/zinc/45/15/53/411451553.db2.gz AUROPSCMEVXHQE-SRVKXCTJSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)n1ccnc1C[NH2+]CC(=O)N(C)C ZINC000657292401 411452818 /nfs/dbraw/zinc/45/28/18/411452818.db2.gz NLMFMYQOQIFZFC-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000657291799 411452923 /nfs/dbraw/zinc/45/29/23/411452923.db2.gz CVROEHAXPIMPSY-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCOC2)C1 ZINC000654947840 411466951 /nfs/dbraw/zinc/46/69/51/411466951.db2.gz VTRRTJXSMMSFDK-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)on1 ZINC000659831749 411468167 /nfs/dbraw/zinc/46/81/67/411468167.db2.gz VBGNGGJLBWQJDL-VIFPVBQESA-N 1 2 239.275 0.523 20 0 BCADLO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)on1 ZINC000659831749 411468170 /nfs/dbraw/zinc/46/81/70/411468170.db2.gz VBGNGGJLBWQJDL-VIFPVBQESA-N 1 2 239.275 0.523 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000659838105 411470287 /nfs/dbraw/zinc/47/02/87/411470287.db2.gz MAFDTQMEAYAOPU-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000659838105 411470290 /nfs/dbraw/zinc/47/02/90/411470290.db2.gz MAFDTQMEAYAOPU-UHFFFAOYSA-N 1 2 238.335 0.816 20 0 BCADLO Cc1cc(C[N@H+](C)CC(N)=O)nc(C)n1 ZINC000659839727 411472122 /nfs/dbraw/zinc/47/21/22/411472122.db2.gz UJCYPAUFKWDBEB-UHFFFAOYSA-N 1 2 208.265 0.011 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(N)=O)nc(C)n1 ZINC000659839727 411472125 /nfs/dbraw/zinc/47/21/25/411472125.db2.gz UJCYPAUFKWDBEB-UHFFFAOYSA-N 1 2 208.265 0.011 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657360474 411477456 /nfs/dbraw/zinc/47/74/56/411477456.db2.gz HZLVXLZOUAEJQL-SECBINFHSA-N 1 2 245.348 0.631 20 0 BCADLO C[C@H](O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657361587 411478147 /nfs/dbraw/zinc/47/81/47/411478147.db2.gz GEBILUKIKUQBHW-QMMMGPOBSA-N 1 2 227.312 0.289 20 0 BCADLO CCC[C@@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657358504 411479051 /nfs/dbraw/zinc/47/90/51/411479051.db2.gz DXPVJJLMPGEWIS-SECBINFHSA-N 1 2 241.339 0.679 20 0 BCADLO CC1(C)COCC[N@@H+]1CCc1c[nH]nn1 ZINC000659857921 411480219 /nfs/dbraw/zinc/48/02/19/411480219.db2.gz ORGNAYVCHVVRIV-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CC1(C)COCC[N@H+]1CCc1c[nH]nn1 ZINC000659857921 411480221 /nfs/dbraw/zinc/48/02/21/411480221.db2.gz ORGNAYVCHVVRIV-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CC1(C)COCC[N@@H+]1CCc1cn[nH]n1 ZINC000659857921 411480224 /nfs/dbraw/zinc/48/02/24/411480224.db2.gz ORGNAYVCHVVRIV-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CC1(C)COCC[N@H+]1CCc1cn[nH]n1 ZINC000659857921 411480227 /nfs/dbraw/zinc/48/02/27/411480227.db2.gz ORGNAYVCHVVRIV-UHFFFAOYSA-N 1 2 210.281 0.458 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CCCO[C@@H](C)C2)C1=O ZINC000659873450 411485344 /nfs/dbraw/zinc/48/53/44/411485344.db2.gz ILBVDXFJEQESDI-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@H]([N@H+]2CCCO[C@@H](C)C2)C1=O ZINC000659873450 411485347 /nfs/dbraw/zinc/48/53/47/411485347.db2.gz ILBVDXFJEQESDI-UWVGGRQHSA-N 1 2 228.292 0.260 20 0 BCADLO CC(C)(CO)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000655070463 411488926 /nfs/dbraw/zinc/48/89/26/411488926.db2.gz DOFBGNPNOONRTP-SECBINFHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)C(=O)N(C)C ZINC000657389440 411490843 /nfs/dbraw/zinc/49/08/43/411490843.db2.gz VSNDJHSFABEUJK-SECBINFHSA-N 1 2 236.319 0.396 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1(O)CCC1 ZINC000655128012 411500653 /nfs/dbraw/zinc/50/06/53/411500653.db2.gz AKCQXHCIXVQIBW-UHFFFAOYSA-N 1 2 223.276 0.434 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](OCCO)C2)co1 ZINC000659930906 411501507 /nfs/dbraw/zinc/50/15/07/411501507.db2.gz IEQNCWQRWREYCQ-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](OCCO)C2)co1 ZINC000659930906 411501511 /nfs/dbraw/zinc/50/15/11/411501511.db2.gz IEQNCWQRWREYCQ-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](OCCO)C2)co1 ZINC000659930905 411501665 /nfs/dbraw/zinc/50/16/65/411501665.db2.gz IEQNCWQRWREYCQ-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](OCCO)C2)co1 ZINC000659930905 411501668 /nfs/dbraw/zinc/50/16/68/411501668.db2.gz IEQNCWQRWREYCQ-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000659932887 411502809 /nfs/dbraw/zinc/50/28/09/411502809.db2.gz PNLUGTQPOANMQP-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000659932887 411502812 /nfs/dbraw/zinc/50/28/12/411502812.db2.gz PNLUGTQPOANMQP-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000659932887 411502814 /nfs/dbraw/zinc/50/28/14/411502814.db2.gz PNLUGTQPOANMQP-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000659932887 411502816 /nfs/dbraw/zinc/50/28/16/411502816.db2.gz PNLUGTQPOANMQP-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO C[C@H](O)C[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657431673 411504644 /nfs/dbraw/zinc/50/46/44/411504644.db2.gz IDYHBDUBXGFDSX-IUCAKERBSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659943178 411505402 /nfs/dbraw/zinc/50/54/02/411505402.db2.gz JCRIWMSGTUGOHU-VXGBXAGGSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659943178 411505403 /nfs/dbraw/zinc/50/54/03/411505403.db2.gz JCRIWMSGTUGOHU-VXGBXAGGSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000659943444 411505618 /nfs/dbraw/zinc/50/56/18/411505618.db2.gz VAQGOXSVPUQQPT-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659943444 411505622 /nfs/dbraw/zinc/50/56/22/411505622.db2.gz VAQGOXSVPUQQPT-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)O)[nH]1 ZINC000659953761 411509413 /nfs/dbraw/zinc/50/94/13/411509413.db2.gz UNYQHLGMIQXECH-HTQZYQBOSA-N 1 2 212.297 0.741 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)O)[nH]1 ZINC000659953761 411509416 /nfs/dbraw/zinc/50/94/16/411509416.db2.gz UNYQHLGMIQXECH-HTQZYQBOSA-N 1 2 212.297 0.741 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)CCO ZINC000655167796 411509705 /nfs/dbraw/zinc/50/97/05/411509705.db2.gz UYJFEQVARRGASW-NXEZZACHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)CCO ZINC000655167796 411509708 /nfs/dbraw/zinc/50/97/08/411509708.db2.gz UYJFEQVARRGASW-NXEZZACHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](O)CCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657453164 411514463 /nfs/dbraw/zinc/51/44/63/411514463.db2.gz WMIDXNRJQDGKPJ-SECBINFHSA-N 1 2 241.339 0.679 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660442964 411514924 /nfs/dbraw/zinc/51/49/24/411514924.db2.gz ZTJVXYIBFOFFJS-CMPLNLGQSA-N 1 2 238.335 0.973 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660442964 411514927 /nfs/dbraw/zinc/51/49/27/411514927.db2.gz ZTJVXYIBFOFFJS-CMPLNLGQSA-N 1 2 238.335 0.973 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H](C)C(=O)NCCF)n1 ZINC000657459456 411517377 /nfs/dbraw/zinc/51/73/77/411517377.db2.gz UXCNACYZOBNDDB-MRVPVSSYSA-N 1 2 228.271 0.282 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1cn(C)c[nH+]1)C2 ZINC000659990718 411521433 /nfs/dbraw/zinc/52/14/33/411521433.db2.gz GHAGDKGTKXILTB-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO CC[C@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)OC ZINC000657470315 411522028 /nfs/dbraw/zinc/52/20/28/411522028.db2.gz PSKFDSKLQWCVOL-SECBINFHSA-N 1 2 241.339 0.943 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000659997673 411523706 /nfs/dbraw/zinc/52/37/06/411523706.db2.gz KPBQJPDOMSGUBF-NSHDSACASA-N 1 2 222.292 0.460 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000659997673 411523708 /nfs/dbraw/zinc/52/37/08/411523708.db2.gz KPBQJPDOMSGUBF-NSHDSACASA-N 1 2 222.292 0.460 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCOC2)n1 ZINC000655814012 411523727 /nfs/dbraw/zinc/52/37/27/411523727.db2.gz GLXPMNDESBGKGS-VIFPVBQESA-N 1 2 239.323 0.697 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC)[C@H](C)C1 ZINC000336438255 169998172 /nfs/dbraw/zinc/99/81/72/169998172.db2.gz CREDLILKWRKACW-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC)[C@H](C)C1 ZINC000336438255 169998174 /nfs/dbraw/zinc/99/81/74/169998174.db2.gz CREDLILKWRKACW-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC1 ZINC000336335529 170000209 /nfs/dbraw/zinc/00/02/09/170000209.db2.gz GOLACFGSPYFEBA-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC1 ZINC000336335529 170000210 /nfs/dbraw/zinc/00/02/10/170000210.db2.gz GOLACFGSPYFEBA-SNVBAGLBSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341126720 170027508 /nfs/dbraw/zinc/02/75/08/170027508.db2.gz LQQBIIMUVSSHFA-DTWKUNHWSA-N 1 2 239.323 0.425 20 0 BCADLO CC[N@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C ZINC000341126720 170027509 /nfs/dbraw/zinc/02/75/09/170027509.db2.gz LQQBIIMUVSSHFA-DTWKUNHWSA-N 1 2 239.323 0.425 20 0 BCADLO Cc1c[nH]c(CNCc2nnn(C(C)(C)C)n2)[nH+]1 ZINC000657505426 411540101 /nfs/dbraw/zinc/54/01/01/411540101.db2.gz YRWDGKDRQHFOAP-UHFFFAOYSA-N 1 2 249.322 0.749 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341271711 170034690 /nfs/dbraw/zinc/03/46/90/170034690.db2.gz VUMIBYOPAXSREU-AAEUAGOBSA-N 1 2 234.347 0.949 20 0 BCADLO CC[NH+]1C[C@H](NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000358139058 170034704 /nfs/dbraw/zinc/03/47/04/170034704.db2.gz WAEXFJZTEJQROP-XQQFMLRXSA-N 1 2 241.379 0.247 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660122757 411540448 /nfs/dbraw/zinc/54/04/48/411540448.db2.gz CFLYNHFXYFSNHO-MWLCHTKSSA-N 1 2 224.308 0.583 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660122757 411540450 /nfs/dbraw/zinc/54/04/50/411540450.db2.gz CFLYNHFXYFSNHO-MWLCHTKSSA-N 1 2 224.308 0.583 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000657522528 411540600 /nfs/dbraw/zinc/54/06/00/411540600.db2.gz HNDVNGQLDQTKTK-NSHDSACASA-N 1 2 234.303 0.198 20 0 BCADLO Cc1nc(C[NH2+][C@H]2CCNC2=O)cs1 ZINC000657523678 411541340 /nfs/dbraw/zinc/54/13/40/411541340.db2.gz HUTMWTJOQYQEEX-QMMMGPOBSA-N 1 2 211.290 0.430 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000370753502 170052062 /nfs/dbraw/zinc/05/20/62/170052062.db2.gz JJPQIJSBGAMNMU-VIFPVBQESA-N 1 2 238.291 0.733 20 0 BCADLO CCNC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000370753502 170052064 /nfs/dbraw/zinc/05/20/64/170052064.db2.gz JJPQIJSBGAMNMU-VIFPVBQESA-N 1 2 238.291 0.733 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000264206712 170055727 /nfs/dbraw/zinc/05/57/27/170055727.db2.gz LFOHFPMYKNFLJF-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000264206712 170055730 /nfs/dbraw/zinc/05/57/30/170055730.db2.gz LFOHFPMYKNFLJF-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180393808 170055850 /nfs/dbraw/zinc/05/58/50/170055850.db2.gz HNMQJSKXUQARRA-VIFPVBQESA-N 1 2 224.308 0.549 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000180393808 170055852 /nfs/dbraw/zinc/05/58/52/170055852.db2.gz HNMQJSKXUQARRA-VIFPVBQESA-N 1 2 224.308 0.549 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1cn(C)nc1C ZINC000119286933 170057215 /nfs/dbraw/zinc/05/72/15/170057215.db2.gz NLZRGCNPAZELIZ-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1cn(C)nc1C ZINC000119286933 170057217 /nfs/dbraw/zinc/05/72/17/170057217.db2.gz NLZRGCNPAZELIZ-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000368448170 170061652 /nfs/dbraw/zinc/06/16/52/170061652.db2.gz YHHKJLZHIWOCIJ-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000368448170 170061653 /nfs/dbraw/zinc/06/16/53/170061653.db2.gz YHHKJLZHIWOCIJ-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370031835 170061688 /nfs/dbraw/zinc/06/16/88/170061688.db2.gz HZSPJCKTXTZZTJ-MWLCHTKSSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370031835 170061689 /nfs/dbraw/zinc/06/16/89/170061689.db2.gz HZSPJCKTXTZZTJ-MWLCHTKSSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305264 170076319 /nfs/dbraw/zinc/07/63/19/170076319.db2.gz YGWWZVQOXMZWGU-UHFFFAOYSA-N 1 2 247.298 0.848 20 0 BCADLO Cc1nc(C[NH2+][C@H](C(N)=O)C(C)(C)C)co1 ZINC000660090673 411536072 /nfs/dbraw/zinc/53/60/72/411536072.db2.gz IPUWIFVSFYAXLG-SECBINFHSA-N 1 2 225.292 0.973 20 0 BCADLO C[C@@H](NS(=O)(=O)CCCF)c1[nH+]ccn1C ZINC000660103194 411537203 /nfs/dbraw/zinc/53/72/03/411537203.db2.gz ZGMWFDXUIVWIEO-MRVPVSSYSA-N 1 2 249.311 0.760 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1nc(C)no1)C(C)C ZINC000339326752 170098570 /nfs/dbraw/zinc/09/85/70/170098570.db2.gz PBOXPTQVRLJJMG-SNVBAGLBSA-N 1 2 240.307 0.628 20 0 BCADLO C[C@@H](NS(=O)(=O)C1(C)CC1)c1[nH+]ccn1C ZINC000660099880 411537635 /nfs/dbraw/zinc/53/76/35/411537635.db2.gz JFDGBQDGDFVZLG-MRVPVSSYSA-N 1 2 243.332 0.953 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)C[C@H](O)C(F)(F)F ZINC000660172070 411551682 /nfs/dbraw/zinc/55/16/82/411551682.db2.gz IEJGPDHGRAMCNO-QMMMGPOBSA-N 1 2 237.225 0.775 20 0 BCADLO NC(=O)C1([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000660226300 411556121 /nfs/dbraw/zinc/55/61/21/411556121.db2.gz VZYVHRYUMJVDJK-UHFFFAOYSA-N 1 2 221.260 0.660 20 0 BCADLO CN(Cc1nnn(C(C)(C)C)n1)Cc1[nH]cc[nH+]1 ZINC000660141877 411545107 /nfs/dbraw/zinc/54/51/07/411545107.db2.gz KDRJRQCVCHXWFZ-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)cn1 ZINC000660145408 411545851 /nfs/dbraw/zinc/54/58/51/411545851.db2.gz RBWDBWXLJUCGON-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cn(C)cn1 ZINC000660145408 411545853 /nfs/dbraw/zinc/54/58/53/411545853.db2.gz RBWDBWXLJUCGON-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(C)o1 ZINC000660150067 411546839 /nfs/dbraw/zinc/54/68/39/411546839.db2.gz NLBSRYHBXUHHPQ-SECBINFHSA-N 1 2 238.291 0.534 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c(C)o1 ZINC000660150067 411546841 /nfs/dbraw/zinc/54/68/41/411546841.db2.gz NLBSRYHBXUHHPQ-SECBINFHSA-N 1 2 238.291 0.534 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660150924 411546924 /nfs/dbraw/zinc/54/69/24/411546924.db2.gz MXRQQQKTKIMXES-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@@H]1O ZINC000660150924 411546925 /nfs/dbraw/zinc/54/69/25/411546925.db2.gz MXRQQQKTKIMXES-SCZZXKLOSA-N 1 2 210.281 0.050 20 0 BCADLO Cc1nc(C[N@@H+]2CCSC[C@H]2CO)co1 ZINC000660154324 411548281 /nfs/dbraw/zinc/54/82/81/411548281.db2.gz KIXFORYYZRSYRK-SNVBAGLBSA-N 1 2 228.317 0.893 20 0 BCADLO Cc1nc(C[N@H+]2CCSC[C@H]2CO)co1 ZINC000660154324 411548282 /nfs/dbraw/zinc/54/82/82/411548282.db2.gz KIXFORYYZRSYRK-SNVBAGLBSA-N 1 2 228.317 0.893 20 0 BCADLO CCOC(=O)CC(=O)NCc1[nH]c[nH+]c1C ZINC000267891780 170195704 /nfs/dbraw/zinc/19/57/04/170195704.db2.gz UHQUHGBEESNYGK-UHFFFAOYSA-N 1 2 225.248 0.288 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nnc(C)o1 ZINC000050067292 170204691 /nfs/dbraw/zinc/20/46/91/170204691.db2.gz IOBWOQIMSRSLPD-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(C)o1 ZINC000050067292 170204693 /nfs/dbraw/zinc/20/46/93/170204693.db2.gz IOBWOQIMSRSLPD-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000376648995 170207524 /nfs/dbraw/zinc/20/75/24/170207524.db2.gz OMMOEBMTXLWGGT-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000376648995 170207525 /nfs/dbraw/zinc/20/75/25/170207525.db2.gz OMMOEBMTXLWGGT-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)CS1(=O)=O ZINC000657639463 411566232 /nfs/dbraw/zinc/56/62/32/411566232.db2.gz SNGGTCAWRDUFMS-PSASIEDQSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000042338144 170215003 /nfs/dbraw/zinc/21/50/03/170215003.db2.gz VWGVIUTZVBLDNP-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000042338144 170215004 /nfs/dbraw/zinc/21/50/04/170215004.db2.gz VWGVIUTZVBLDNP-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2COC3(CCC3)C2)n1 ZINC000657630773 411567012 /nfs/dbraw/zinc/56/70/12/411567012.db2.gz OGRANFVRAHQVPN-QMMMGPOBSA-N 1 2 223.280 0.011 20 0 BCADLO CCOC(=O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000342171543 170216933 /nfs/dbraw/zinc/21/69/33/170216933.db2.gz QVGFTEHSVGFXBV-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000342171543 170216935 /nfs/dbraw/zinc/21/69/35/170216935.db2.gz QVGFTEHSVGFXBV-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@H+](CCc1cn[nH]c1)C1CC1 ZINC000310128198 170218201 /nfs/dbraw/zinc/21/82/01/170218201.db2.gz XHLNGCFCOIBXKA-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCOC(=O)C[N@@H+](CCc1cn[nH]c1)C1CC1 ZINC000310128198 170218202 /nfs/dbraw/zinc/21/82/02/170218202.db2.gz XHLNGCFCOIBXKA-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCOC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000048025583 170218580 /nfs/dbraw/zinc/21/85/80/170218580.db2.gz FNTXVYWWYNTYLG-UHFFFAOYSA-N 1 2 228.292 0.137 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635442 170219124 /nfs/dbraw/zinc/21/91/24/170219124.db2.gz GWSOQQWJHWYIRE-SNVBAGLBSA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635442 170219125 /nfs/dbraw/zinc/21/91/25/170219125.db2.gz GWSOQQWJHWYIRE-SNVBAGLBSA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221436488 170220154 /nfs/dbraw/zinc/22/01/54/170220154.db2.gz WVDIXAYFBOEBMC-BDAKNGLRSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332330361 170220151 /nfs/dbraw/zinc/22/01/51/170220151.db2.gz BRBPHOCKBGLOMI-SECBINFHSA-N 1 2 239.275 0.730 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332330361 170220152 /nfs/dbraw/zinc/22/01/52/170220152.db2.gz BRBPHOCKBGLOMI-SECBINFHSA-N 1 2 239.275 0.730 20 0 BCADLO CCOC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000367661597 170220780 /nfs/dbraw/zinc/22/07/80/170220780.db2.gz MDNFPPNZHWKVLE-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000367661597 170220781 /nfs/dbraw/zinc/22/07/81/170220781.db2.gz MDNFPPNZHWKVLE-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332679689 170221110 /nfs/dbraw/zinc/22/11/10/170221110.db2.gz LSWUBPOFIFONKT-UHFFFAOYSA-N 1 2 237.259 0.103 20 0 BCADLO CCOC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332679689 170221111 /nfs/dbraw/zinc/22/11/11/170221111.db2.gz LSWUBPOFIFONKT-UHFFFAOYSA-N 1 2 237.259 0.103 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000377983276 170221492 /nfs/dbraw/zinc/22/14/92/170221492.db2.gz BWOMDNHCYHPOQX-SECBINFHSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000377983276 170221493 /nfs/dbraw/zinc/22/14/93/170221493.db2.gz BWOMDNHCYHPOQX-SECBINFHSA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)CNC(=O)CCc1c[nH+]cn1C ZINC000357272030 170222250 /nfs/dbraw/zinc/22/22/50/170222250.db2.gz JVSMHHMFWDBBMA-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO CCOC(=O)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000365828010 170225165 /nfs/dbraw/zinc/22/51/65/170225165.db2.gz TWLKNGFZYQUFIX-JTQLQIEISA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000365118594 170226458 /nfs/dbraw/zinc/22/64/58/170226458.db2.gz VXZSIUDOGWJNLM-LLVKDONJSA-N 1 2 249.314 0.795 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000330363545 170226932 /nfs/dbraw/zinc/22/69/32/170226932.db2.gz JJOPSWQQFBLQPG-ONGXEEELSA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)COCC[N@H+](C)[C@H](C)C(=O)OC ZINC000352358123 170227979 /nfs/dbraw/zinc/22/79/79/170227979.db2.gz RULNIVJCEXCULO-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000352358123 170227980 /nfs/dbraw/zinc/22/79/80/170227980.db2.gz RULNIVJCEXCULO-SECBINFHSA-N 1 2 247.291 0.059 20 0 BCADLO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000185785540 170240404 /nfs/dbraw/zinc/24/04/04/170240404.db2.gz BPKGJYKKACHDHB-JTQLQIEISA-N 1 2 238.291 0.730 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000330364569 170246937 /nfs/dbraw/zinc/24/69/37/170246937.db2.gz RKDLJYXVTUYYFV-MRVPVSSYSA-N 1 2 244.291 0.300 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000041366906 170266324 /nfs/dbraw/zinc/26/63/24/170266324.db2.gz TYENBLKIBSTFBQ-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111687289 170266429 /nfs/dbraw/zinc/26/64/29/170266429.db2.gz VMYKVJIEHXDCGR-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000111687289 170266430 /nfs/dbraw/zinc/26/64/30/170266430.db2.gz VMYKVJIEHXDCGR-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)OC ZINC000336745612 170269740 /nfs/dbraw/zinc/26/97/40/170269740.db2.gz APYAVDKOELSRFQ-HTQZYQBOSA-N 1 2 217.265 0.337 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](C)COC(C)C)n1 ZINC000657609679 411562296 /nfs/dbraw/zinc/56/22/96/411562296.db2.gz RSKQVKRPNPMCEB-VIFPVBQESA-N 1 2 242.323 0.854 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)COC(C)C)[nH]1 ZINC000657609679 411562297 /nfs/dbraw/zinc/56/22/97/411562297.db2.gz RSKQVKRPNPMCEB-VIFPVBQESA-N 1 2 242.323 0.854 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)O)[C@H]1CCCOC1 ZINC000337202292 170277371 /nfs/dbraw/zinc/27/73/71/170277371.db2.gz GRLPCITUXZREER-OUAUKWLOSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@H](O)C[C@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000660287601 411565762 /nfs/dbraw/zinc/56/57/62/411565762.db2.gz DEKRSYMWZRUEJP-JQWIXIFHSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cn(C)cn2)[C@H](C(N)=O)C1 ZINC000660332761 411570859 /nfs/dbraw/zinc/57/08/59/411570859.db2.gz UWPVGXQHSUPDPS-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)[C@H](C(N)=O)C1 ZINC000660332761 411570860 /nfs/dbraw/zinc/57/08/60/411570860.db2.gz UWPVGXQHSUPDPS-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)[C@H](C(N)=O)C1 ZINC000660332761 411570861 /nfs/dbraw/zinc/57/08/61/411570861.db2.gz UWPVGXQHSUPDPS-KOLCDFICSA-N 1 2 236.319 0.506 20 0 BCADLO Cn1c[nH+]c(CN2CC(F)(F)C[C@H]2CO)c1 ZINC000660369167 411573443 /nfs/dbraw/zinc/57/34/43/411573443.db2.gz NHWRLYABVSXQMR-VIFPVBQESA-N 1 2 231.246 0.622 20 0 BCADLO Cn1c[nH+]c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000660371748 411574663 /nfs/dbraw/zinc/57/46/63/411574663.db2.gz RSLFMWIBKMCAHY-SCZZXKLOSA-N 1 2 213.256 0.325 20 0 BCADLO CCOCC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000281402816 170355786 /nfs/dbraw/zinc/35/57/86/170355786.db2.gz FPTBHXLZOIUHCP-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO CCOCC(C)(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000339359019 170356218 /nfs/dbraw/zinc/35/62/18/170356218.db2.gz BWJSAXZVWFKLLI-UHFFFAOYSA-N 1 2 214.269 0.415 20 0 BCADLO CCOCCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000357882440 170375525 /nfs/dbraw/zinc/37/55/25/170375525.db2.gz DUOHIVGRZXATMT-HZMBPMFUSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000357882440 170375527 /nfs/dbraw/zinc/37/55/27/170375527.db2.gz DUOHIVGRZXATMT-HZMBPMFUSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000092853011 170387005 /nfs/dbraw/zinc/38/70/05/170387005.db2.gz WGUKPHCSOOFSLE-UHFFFAOYSA-N 1 2 240.307 0.561 20 0 BCADLO CC[C@@]1(CO)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660331526 411570135 /nfs/dbraw/zinc/57/01/35/411570135.db2.gz ANECFBJPUJSNPF-GFCCVEGCSA-N 1 2 238.335 0.832 20 0 BCADLO CC[C@@]1(CO)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660331526 411570136 /nfs/dbraw/zinc/57/01/36/411570136.db2.gz ANECFBJPUJSNPF-GFCCVEGCSA-N 1 2 238.335 0.832 20 0 BCADLO CCOCCN(C)c1[nH+]cnc2c1cnn2C ZINC000180037523 170393060 /nfs/dbraw/zinc/39/30/60/170393060.db2.gz HNGINVMREFCUKD-UHFFFAOYSA-N 1 2 235.291 0.836 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)NC(C)(C)C1=O ZINC000663327288 411625798 /nfs/dbraw/zinc/62/57/98/411625798.db2.gz HIBQAFQEEVFJSE-ZETCQYMHSA-N 1 2 236.275 0.812 20 0 BCADLO Cc1nocc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660799458 411633622 /nfs/dbraw/zinc/63/36/22/411633622.db2.gz FXJNABHISUYWSD-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)ncn1 ZINC000599827384 411647036 /nfs/dbraw/zinc/64/70/36/411647036.db2.gz FSQZFYSANJNZFG-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)ncn1 ZINC000599827384 411647041 /nfs/dbraw/zinc/64/70/41/411647041.db2.gz FSQZFYSANJNZFG-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO OC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCOC1 ZINC000660804525 411640441 /nfs/dbraw/zinc/64/04/41/411640441.db2.gz JEYGYJBYWDRYII-ONGXEEELSA-N 1 2 225.292 0.287 20 0 BCADLO Cc1c(N[C@H](C)CO)nc[nH+]c1N[C@@H](C)CO ZINC000663380093 411641986 /nfs/dbraw/zinc/64/19/86/411641986.db2.gz UILALGURMBYNLU-OCAPTIKFSA-N 1 2 240.307 0.370 20 0 BCADLO Cc1c(N[C@@H](C)CO)nc[nH+]c1N[C@H](C)CO ZINC000663380093 411641989 /nfs/dbraw/zinc/64/19/89/411641989.db2.gz UILALGURMBYNLU-OCAPTIKFSA-N 1 2 240.307 0.370 20 0 BCADLO O=C(NCCOCCF)NCCn1cc[nH+]c1 ZINC000660818862 411643515 /nfs/dbraw/zinc/64/35/15/411643515.db2.gz DTJKSYHAYCMJQY-UHFFFAOYSA-N 1 2 244.270 0.168 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](CO)O1 ZINC000660387283 411577182 /nfs/dbraw/zinc/57/71/82/411577182.db2.gz ALSBZHJJELFHAF-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H](O)CC(F)(F)C2)c1 ZINC000660392785 411578689 /nfs/dbraw/zinc/57/86/89/411578689.db2.gz RKWNDBQSIGLLEN-VIFPVBQESA-N 1 2 231.246 0.622 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)CC1CC1 ZINC000657701299 411582382 /nfs/dbraw/zinc/58/23/82/411582382.db2.gz XEUDIIZRIGOFDZ-SNVBAGLBSA-N 1 2 209.293 0.908 20 0 BCADLO Cc1nc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)co1 ZINC000660457219 411588172 /nfs/dbraw/zinc/58/81/72/411588172.db2.gz KJTDULTXDJWULJ-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)co1 ZINC000660457219 411588174 /nfs/dbraw/zinc/58/81/74/411588174.db2.gz KJTDULTXDJWULJ-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO CCS(=O)(=O)C1(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000657757440 411590278 /nfs/dbraw/zinc/59/02/78/411590278.db2.gz IPTSYDSHQNCABU-UHFFFAOYSA-N 1 2 243.332 0.467 20 0 BCADLO CC[N@H+](Cc1cc(OC)no1)[C@H]1CCNC1=O ZINC000660479127 411591025 /nfs/dbraw/zinc/59/10/25/411591025.db2.gz XEPYVHBRSKXXIN-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO CC[N@@H+](Cc1cc(OC)no1)[C@H]1CCNC1=O ZINC000660479127 411591027 /nfs/dbraw/zinc/59/10/27/411591027.db2.gz XEPYVHBRSKXXIN-VIFPVBQESA-N 1 2 239.275 0.394 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660482526 411592424 /nfs/dbraw/zinc/59/24/24/411592424.db2.gz FVFSXJWVGDCBQT-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660482526 411592426 /nfs/dbraw/zinc/59/24/26/411592426.db2.gz FVFSXJWVGDCBQT-MRVPVSSYSA-N 1 2 248.273 0.621 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)CCC(N)=O)[nH]1 ZINC000660546525 411598001 /nfs/dbraw/zinc/59/80/01/411598001.db2.gz KTUREFQOXKDQOW-ZETCQYMHSA-N 1 2 225.296 0.235 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)CCC(N)=O)[nH]1 ZINC000660546525 411598003 /nfs/dbraw/zinc/59/80/03/411598003.db2.gz KTUREFQOXKDQOW-ZETCQYMHSA-N 1 2 225.296 0.235 20 0 BCADLO Cc1cc(CN2CCn3c[nH+]cc3C2)ncn1 ZINC000660585002 411603900 /nfs/dbraw/zinc/60/39/00/411603900.db2.gz WSSDYZBLMYMETO-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)nn1C ZINC000657814549 411604903 /nfs/dbraw/zinc/60/49/03/411604903.db2.gz CRDGFGKUKUCNBN-SECBINFHSA-N 1 2 245.348 0.251 20 0 BCADLO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660673121 411616869 /nfs/dbraw/zinc/61/68/69/411616869.db2.gz ZZXKIOAJBYYDPK-GXSJLCMTSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@@H]1[C@H](CO)CC[N@H+]1CCc1cnn[nH]1 ZINC000660673121 411616870 /nfs/dbraw/zinc/61/68/70/411616870.db2.gz ZZXKIOAJBYYDPK-GXSJLCMTSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660692999 411617924 /nfs/dbraw/zinc/61/79/24/411617924.db2.gz VHQDYFIHHSMFMC-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660692999 411617925 /nfs/dbraw/zinc/61/79/25/411617925.db2.gz VHQDYFIHHSMFMC-PSASIEDQSA-N 1 2 210.281 0.192 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC2(O)CCCC2)C1 ZINC000660731927 411619576 /nfs/dbraw/zinc/61/95/76/411619576.db2.gz IWFNNDBUTPFBAN-UHFFFAOYSA-N 1 2 247.360 0.410 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCCCF)C1 ZINC000660728356 411619591 /nfs/dbraw/zinc/61/95/91/411619591.db2.gz QPDIDBRCHMWRPU-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO COC[C@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000660738064 411620491 /nfs/dbraw/zinc/62/04/91/411620491.db2.gz OKEQQKVGPFTGST-BDAKNGLRSA-N 1 2 241.278 0.596 20 0 BCADLO COC[C@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000660738064 411620492 /nfs/dbraw/zinc/62/04/92/411620492.db2.gz OKEQQKVGPFTGST-BDAKNGLRSA-N 1 2 241.278 0.596 20 0 BCADLO COC[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660755081 411621105 /nfs/dbraw/zinc/62/11/05/411621105.db2.gz IMPSVYCBAMMWMS-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2c1nnn2C ZINC000663619014 411710213 /nfs/dbraw/zinc/71/02/13/411710213.db2.gz XTJKFQOHQLPSCH-UHFFFAOYSA-N 1 2 244.262 0.118 20 0 BCADLO CCOCCCNc1cc(CO)cc[nH+]1 ZINC000641253954 411710510 /nfs/dbraw/zinc/71/05/10/411710510.db2.gz PCURFIDKSNTOQH-UHFFFAOYSA-N 1 2 210.277 1.412 20 0 BCADLO CCOCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000354256760 411712591 /nfs/dbraw/zinc/71/25/91/411712591.db2.gz TUGQRNZXEPNFEP-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CCOCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000354256760 411712598 /nfs/dbraw/zinc/71/25/98/411712598.db2.gz TUGQRNZXEPNFEP-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CCO[C@@H]1C[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000562533818 411713483 /nfs/dbraw/zinc/71/34/83/411713483.db2.gz ZNPWQRIWFIGYCT-DTWKUNHWSA-N 1 2 237.307 0.835 20 0 BCADLO CCO[C@@H]1C[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000562533818 411713486 /nfs/dbraw/zinc/71/34/86/411713486.db2.gz ZNPWQRIWFIGYCT-DTWKUNHWSA-N 1 2 237.307 0.835 20 0 BCADLO C[C@H](NC(=O)NCCF)c1[nH+]ccn1C ZINC000661120727 411714092 /nfs/dbraw/zinc/71/40/92/411714092.db2.gz HMCWSNVQJIDBLL-ZETCQYMHSA-N 1 2 214.244 0.750 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC000660832837 411647845 /nfs/dbraw/zinc/64/78/45/411647845.db2.gz HQHKAJVDEGUCND-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC000660832837 411647849 /nfs/dbraw/zinc/64/78/49/411647849.db2.gz HQHKAJVDEGUCND-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(NC[C@@H](C)S(C)(=O)=O)nc[nH+]1 ZINC000380140009 411650872 /nfs/dbraw/zinc/65/08/72/411650872.db2.gz VIAVMFFVEYUUNR-MRVPVSSYSA-N 1 2 229.305 0.630 20 0 BCADLO Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)nc[nH+]1 ZINC000340919515 411651891 /nfs/dbraw/zinc/65/18/91/411651891.db2.gz SCNBKNUTSNVYPD-SNVBAGLBSA-N 1 2 249.318 0.988 20 0 BCADLO C[N@H+](CCc1ccncc1)Cc1n[nH]c(=O)o1 ZINC000660841551 411652341 /nfs/dbraw/zinc/65/23/41/411652341.db2.gz GBXKLWCAULJREU-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1n[nH]c(=O)o1 ZINC000660841551 411652345 /nfs/dbraw/zinc/65/23/45/411652345.db2.gz GBXKLWCAULJREU-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO COCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841287 411654095 /nfs/dbraw/zinc/65/40/95/411654095.db2.gz DCPCBYSDPGXZCT-UHFFFAOYSA-N 1 2 215.253 0.634 20 0 BCADLO COCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841287 411654098 /nfs/dbraw/zinc/65/40/98/411654098.db2.gz DCPCBYSDPGXZCT-UHFFFAOYSA-N 1 2 215.253 0.634 20 0 BCADLO Cc1cc(NCc2nnc(C3CC3)n2C)nc[nH+]1 ZINC000329704027 411654763 /nfs/dbraw/zinc/65/47/63/411654763.db2.gz JEDJEJPSPISIIY-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccnc1 ZINC000660850313 411655441 /nfs/dbraw/zinc/65/54/41/411655441.db2.gz UBJFRANJECQICF-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccnc1 ZINC000660850313 411655447 /nfs/dbraw/zinc/65/54/47/411655447.db2.gz UBJFRANJECQICF-UHFFFAOYSA-N 1 2 220.232 0.802 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCCO1 ZINC000660849083 411655696 /nfs/dbraw/zinc/65/56/96/411655696.db2.gz OAXDAWMZCKMBLL-QMMMGPOBSA-N 1 2 227.264 0.776 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCCCO1 ZINC000660849083 411655699 /nfs/dbraw/zinc/65/56/99/411655699.db2.gz OAXDAWMZCKMBLL-QMMMGPOBSA-N 1 2 227.264 0.776 20 0 BCADLO Cc1cc(NCc2nnnn2C2CC2)nc[nH+]1 ZINC000608093638 411655950 /nfs/dbraw/zinc/65/59/50/411655950.db2.gz OJIHJMAFIGEISU-UHFFFAOYSA-N 1 2 231.263 0.719 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1coc(C)n1 ZINC000660900386 411665634 /nfs/dbraw/zinc/66/56/34/411665634.db2.gz ILEWBDOTHSKBLS-NXEZZACHSA-N 1 2 212.249 0.486 20 0 BCADLO COc1cc(C[N@H+](C)CCNC(C)=O)on1 ZINC000660904578 411666977 /nfs/dbraw/zinc/66/69/77/411666977.db2.gz STNZFQCVSHRXCU-UHFFFAOYSA-N 1 2 227.264 0.251 20 0 BCADLO COc1cc(C[N@@H+](C)CCNC(C)=O)on1 ZINC000660904578 411666980 /nfs/dbraw/zinc/66/69/80/411666980.db2.gz STNZFQCVSHRXCU-UHFFFAOYSA-N 1 2 227.264 0.251 20 0 BCADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000590296346 411669366 /nfs/dbraw/zinc/66/93/66/411669366.db2.gz XMKXMWUDBZUSNX-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000590296346 411669370 /nfs/dbraw/zinc/66/93/70/411669370.db2.gz XMKXMWUDBZUSNX-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO O[C@@H](CNc1cccc(-n2cc[nH+]c2)n1)C1CC1 ZINC000363723259 411691517 /nfs/dbraw/zinc/69/15/17/411691517.db2.gz OYIKHPFBOLZRFJ-NSHDSACASA-N 1 2 244.298 1.450 20 0 BCADLO OCc1cc[nH+]c(NCCCn2cccn2)c1 ZINC000641284931 411692858 /nfs/dbraw/zinc/69/28/58/411692858.db2.gz STWOYJQPGKWMGP-UHFFFAOYSA-N 1 2 232.287 1.273 20 0 BCADLO O[C@H](CNc1cccc(-n2cc[nH+]c2)n1)C1CC1 ZINC000363723257 411695387 /nfs/dbraw/zinc/69/53/87/411695387.db2.gz OYIKHPFBOLZRFJ-LLVKDONJSA-N 1 2 244.298 1.450 20 0 BCADLO O[C@@H]1CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000393958926 411695706 /nfs/dbraw/zinc/69/57/06/411695706.db2.gz GHAXEDWPDGHLCO-RKDXNWHRSA-N 1 2 205.261 1.289 20 0 BCADLO CN(CC(=O)NCC1CC1)Cc1c[nH+]c[nH]1 ZINC000661086172 411696416 /nfs/dbraw/zinc/69/64/16/411696416.db2.gz XDGQPAFREKBMPF-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO CN(CC(=O)NCC1CC1)Cc1c[nH]c[nH+]1 ZINC000661086172 411696422 /nfs/dbraw/zinc/69/64/22/411696422.db2.gz XDGQPAFREKBMPF-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)nn1 ZINC000663516859 411696708 /nfs/dbraw/zinc/69/67/08/411696708.db2.gz CBZLLCTYXGDALJ-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)nn1 ZINC000663516859 411696711 /nfs/dbraw/zinc/69/67/11/411696711.db2.gz CBZLLCTYXGDALJ-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1ccn(C)n1 ZINC000571701353 411734392 /nfs/dbraw/zinc/73/43/92/411734392.db2.gz KTQAHXKSYUFXPU-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)S(C)(=O)=O ZINC000563424371 411734602 /nfs/dbraw/zinc/73/46/02/411734602.db2.gz CMOOFEUNCACGOD-MRVPVSSYSA-N 1 2 243.332 0.938 20 0 BCADLO Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)nn1 ZINC000663743311 411736641 /nfs/dbraw/zinc/73/66/41/411736641.db2.gz PMVNYZBFWSKOFQ-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)nn1 ZINC000663743311 411736645 /nfs/dbraw/zinc/73/66/45/411736645.db2.gz PMVNYZBFWSKOFQ-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)c1nc[nH]n1 ZINC000578473583 411736890 /nfs/dbraw/zinc/73/68/90/411736890.db2.gz AVXNSJSOXQTRFS-SSDOTTSWSA-N 1 2 218.264 1.385 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1ccn(C)n1 ZINC000580785119 411738952 /nfs/dbraw/zinc/73/89/52/411738952.db2.gz OTQCGEJIDIOTKL-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BCADLO CC[C@H](CCO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488412758 411749098 /nfs/dbraw/zinc/74/90/98/411749098.db2.gz BRJVVDNINQEOLA-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@H](CCO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488412758 411749102 /nfs/dbraw/zinc/74/91/02/411749102.db2.gz BRJVVDNINQEOLA-SECBINFHSA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@H](CNc1cc[nH+]c(C)n1)C(=O)OC ZINC000591976693 411750256 /nfs/dbraw/zinc/75/02/56/411750256.db2.gz SLZMXIONFJJFTQ-SECBINFHSA-N 1 2 223.276 1.396 20 0 BCADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(=O)NC ZINC000450937419 411753152 /nfs/dbraw/zinc/75/31/52/411753152.db2.gz HRSYGKMSNPLEQD-VIFPVBQESA-N 1 2 236.319 1.537 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000661349929 411753911 /nfs/dbraw/zinc/75/39/11/411753911.db2.gz YCNFTCAZAOXTSC-DTWKUNHWSA-N 1 2 238.291 0.729 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000661349929 411753913 /nfs/dbraw/zinc/75/39/13/411753913.db2.gz YCNFTCAZAOXTSC-DTWKUNHWSA-N 1 2 238.291 0.729 20 0 BCADLO CC[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000336755860 411754302 /nfs/dbraw/zinc/75/43/02/411754302.db2.gz GQFKDYPJIIHKGV-QMMMGPOBSA-N 1 2 220.276 1.449 20 0 BCADLO CC[C@H]1C[N@H+](CCNc2cnccn2)CCO1 ZINC000362678487 411754443 /nfs/dbraw/zinc/75/44/43/411754443.db2.gz BTEMTYXHVPTQHT-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO CC[C@H]1C[N@@H+](CCNc2cnccn2)CCO1 ZINC000362678487 411754446 /nfs/dbraw/zinc/75/44/46/411754446.db2.gz BTEMTYXHVPTQHT-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccon1 ZINC000639968861 411757807 /nfs/dbraw/zinc/75/78/07/411757807.db2.gz VCVOFZVPOPHANP-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccon1 ZINC000639968861 411757812 /nfs/dbraw/zinc/75/78/12/411757812.db2.gz VCVOFZVPOPHANP-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO COc1ccnc(CNc2cc(C)[nH+]cn2)n1 ZINC000425262799 411760303 /nfs/dbraw/zinc/76/03/03/411760303.db2.gz IWJNXUKMHFIVHQ-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BCADLO CCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000064942338 170618397 /nfs/dbraw/zinc/61/83/97/170618397.db2.gz SANSKPKXDHZLBR-UHFFFAOYSA-N 1 2 239.300 0.774 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cnccn1 ZINC000663853803 411762880 /nfs/dbraw/zinc/76/28/80/411762880.db2.gz IBDCUDXKGIPDDK-NSHDSACASA-N 1 2 236.319 0.634 20 0 BCADLO Cc1nc(N(C)C)nc(NC2CC(F)(F)C2)[nH+]1 ZINC000408378974 411763350 /nfs/dbraw/zinc/76/33/50/411763350.db2.gz YBAGHRJOFUMSLC-UHFFFAOYSA-N 1 2 243.261 1.456 20 0 BCADLO Cc1nc(NC2CC(F)(F)C2)nc(N(C)C)[nH+]1 ZINC000408378974 411763352 /nfs/dbraw/zinc/76/33/52/411763352.db2.gz YBAGHRJOFUMSLC-UHFFFAOYSA-N 1 2 243.261 1.456 20 0 BCADLO Cc1nc(N(C)C)nc(NCC[C@H](C)F)[nH+]1 ZINC000338756104 411765782 /nfs/dbraw/zinc/76/57/82/411765782.db2.gz QTHOXSKPDDQWJJ-ZETCQYMHSA-N 1 2 227.287 1.406 20 0 BCADLO Cc1nc(NCC[C@H](C)F)nc(N(C)C)[nH+]1 ZINC000338756104 411765786 /nfs/dbraw/zinc/76/57/86/411765786.db2.gz QTHOXSKPDDQWJJ-ZETCQYMHSA-N 1 2 227.287 1.406 20 0 BCADLO Cc1nc(N(C)C)nc(NCCc2cn[nH]c2)[nH+]1 ZINC000357622687 411766856 /nfs/dbraw/zinc/76/68/56/411766856.db2.gz ORZUQCGBJHNBLE-UHFFFAOYSA-N 1 2 247.306 0.624 20 0 BCADLO Cc1nc(NCCc2cn[nH]c2)nc(N(C)C)[nH+]1 ZINC000357622687 411766859 /nfs/dbraw/zinc/76/68/59/411766859.db2.gz ORZUQCGBJHNBLE-UHFFFAOYSA-N 1 2 247.306 0.624 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000661393856 411767216 /nfs/dbraw/zinc/76/72/16/411767216.db2.gz PRJGSZFRHASPPI-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000661393856 411767219 /nfs/dbraw/zinc/76/72/19/411767219.db2.gz PRJGSZFRHASPPI-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO CC(C)(O)CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397772 411767433 /nfs/dbraw/zinc/76/74/33/411767433.db2.gz FIFIDKLGDOOVSU-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397772 411767436 /nfs/dbraw/zinc/76/74/36/411767436.db2.gz FIFIDKLGDOOVSU-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@H](O)C(F)(F)C1 ZINC000661397326 411767545 /nfs/dbraw/zinc/76/75/45/411767545.db2.gz DVNZNLBJECSJAE-QMMMGPOBSA-N 1 2 231.246 0.622 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2C[C@@H]2C)[nH+]1 ZINC000336753797 411768066 /nfs/dbraw/zinc/76/80/66/411768066.db2.gz WRWDOJJHTRJYAL-IONNQARKSA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(NC[C@H]2C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000336753797 411768071 /nfs/dbraw/zinc/76/80/71/411768071.db2.gz WRWDOJJHTRJYAL-IONNQARKSA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CC2(C)C)[nH+]1 ZINC000390579223 411768296 /nfs/dbraw/zinc/76/82/96/411768296.db2.gz WRLRMFCOVWBUGR-QMMMGPOBSA-N 1 2 221.308 1.456 20 0 BCADLO Cc1nc(N[C@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000390579223 411768297 /nfs/dbraw/zinc/76/82/97/411768297.db2.gz WRLRMFCOVWBUGR-QMMMGPOBSA-N 1 2 221.308 1.456 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000661402137 411768569 /nfs/dbraw/zinc/76/85/69/411768569.db2.gz UMPYIGWLQJPBJG-VIFPVBQESA-N 1 2 231.246 0.622 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661408694 411768589 /nfs/dbraw/zinc/76/85/89/411768589.db2.gz QXHDNYBBZQFISN-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661408694 411768593 /nfs/dbraw/zinc/76/85/93/411768593.db2.gz QXHDNYBBZQFISN-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H](O)C(C)C)[nH+]1 ZINC000488416559 411768895 /nfs/dbraw/zinc/76/88/95/411768895.db2.gz UZKBUGDMSPKFMM-VIFPVBQESA-N 1 2 239.323 0.675 20 0 BCADLO Cc1nc(NC[C@H](O)C(C)C)nc(N(C)C)[nH+]1 ZINC000488416559 411768899 /nfs/dbraw/zinc/76/88/99/411768899.db2.gz UZKBUGDMSPKFMM-VIFPVBQESA-N 1 2 239.323 0.675 20 0 BCADLO CC(C)(O)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399502 411769082 /nfs/dbraw/zinc/76/90/82/411769082.db2.gz JTEICLDQLAPKMZ-SSDOTTSWSA-N 1 2 209.236 0.459 20 0 BCADLO CC(C)(O)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399502 411769086 /nfs/dbraw/zinc/76/90/86/411769086.db2.gz JTEICLDQLAPKMZ-SSDOTTSWSA-N 1 2 209.236 0.459 20 0 BCADLO CCc1cc(NC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000398328346 411769282 /nfs/dbraw/zinc/76/92/82/411769282.db2.gz GOFXRSKCNMQGTD-MRVPVSSYSA-N 1 2 220.276 0.587 20 0 BCADLO Cc1[nH]c(C(=O)NCCNc2cnccn2)c[nH+]1 ZINC000600968769 411782848 /nfs/dbraw/zinc/78/28/48/411782848.db2.gz DJLJDGCPWIUDBL-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1nc(N[C@H](C)c2n[nH]c(=O)n2C)cc[nH+]1 ZINC000631336160 411786034 /nfs/dbraw/zinc/78/60/34/411786034.db2.gz NOTABDNFWWAYIW-ZCFIWIBFSA-N 1 2 234.263 0.792 20 0 BCADLO Cc1nc(NCc2nc(N(C)C)no2)cc[nH+]1 ZINC000439650352 411787249 /nfs/dbraw/zinc/78/72/49/411787249.db2.gz UGWXEPYSHUNSQS-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO CCc1nc(CNc2cc[nH+]c(N(C)C)n2)n[nH]1 ZINC000392405438 411788251 /nfs/dbraw/zinc/78/82/51/411788251.db2.gz SXOARDTVYZEDCV-UHFFFAOYSA-N 1 2 247.306 0.835 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170779 411727824 /nfs/dbraw/zinc/72/78/24/411727824.db2.gz RSLPQTOQBVDZFS-CYBMUJFWSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170779 411727827 /nfs/dbraw/zinc/72/78/27/411727827.db2.gz RSLPQTOQBVDZFS-CYBMUJFWSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)OC ZINC000357780684 411728076 /nfs/dbraw/zinc/72/80/76/411728076.db2.gz JKRNWAFQRLCQEN-VIFPVBQESA-N 1 2 239.323 1.083 20 0 BCADLO CC[C@@H](CNc1nc(C)[nH+]c(N(C)C)n1)OC ZINC000357780684 411728082 /nfs/dbraw/zinc/72/80/82/411728082.db2.gz JKRNWAFQRLCQEN-VIFPVBQESA-N 1 2 239.323 1.083 20 0 BCADLO CN(CCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000661746137 411864243 /nfs/dbraw/zinc/86/42/43/411864243.db2.gz WJFWDLLDAHHGLJ-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CS[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000590749878 411794794 /nfs/dbraw/zinc/79/47/94/411794794.db2.gz DATIYIJFBDHTAD-QMMMGPOBSA-N 1 2 241.316 1.050 20 0 BCADLO CS[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000590749878 411794795 /nfs/dbraw/zinc/79/47/95/411794795.db2.gz DATIYIJFBDHTAD-QMMMGPOBSA-N 1 2 241.316 1.050 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000390514632 411796309 /nfs/dbraw/zinc/79/63/09/411796309.db2.gz CPMNNHHWHMBIPC-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000390514632 411796316 /nfs/dbraw/zinc/79/63/16/411796316.db2.gz CPMNNHHWHMBIPC-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000661529571 411796974 /nfs/dbraw/zinc/79/69/74/411796974.db2.gz JFEVCPFYYPVABV-JTQLQIEISA-N 1 2 238.291 0.730 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCO1 ZINC000661529571 411796975 /nfs/dbraw/zinc/79/69/75/411796975.db2.gz JFEVCPFYYPVABV-JTQLQIEISA-N 1 2 238.291 0.730 20 0 BCADLO C[C@@H]1C[NH+](CCn2cncn2)C[C@@H](C)C1=O ZINC000661538305 411798198 /nfs/dbraw/zinc/79/81/98/411798198.db2.gz HGXXYWCJWGPRFG-NXEZZACHSA-N 1 2 222.292 0.435 20 0 BCADLO C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H](C)C1=O ZINC000661547008 411799801 /nfs/dbraw/zinc/79/98/01/411799801.db2.gz QSGCGSRHABHHCU-BBBLOLIVSA-N 1 2 224.304 0.422 20 0 BCADLO CCN(C)C(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551576 411800838 /nfs/dbraw/zinc/80/08/38/411800838.db2.gz RWSXUJRPTVDDRP-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@H]1NC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663985367 411802080 /nfs/dbraw/zinc/80/20/80/411802080.db2.gz HIJCFCOTLHAJMA-VIFPVBQESA-N 1 2 236.275 0.293 20 0 BCADLO CCn1cc[nH+]c1CNc1cc(C#N)ncn1 ZINC000385370172 411812383 /nfs/dbraw/zinc/81/23/83/411812383.db2.gz QKJZDZPAOCWPTR-UHFFFAOYSA-N 1 2 228.259 1.177 20 0 BCADLO Cc1nnsc1CNc1cc(C)[nH+]cn1 ZINC000336743115 411812521 /nfs/dbraw/zinc/81/25/21/411812521.db2.gz XPKVDHHPFVDNLI-UHFFFAOYSA-N 1 2 221.289 1.557 20 0 BCADLO Cn1c[nH+]cc1CCn1cnc2[nH]ccc2c1=O ZINC000664010918 411813203 /nfs/dbraw/zinc/81/32/03/411813203.db2.gz UPSNMNRQDYIXCT-UHFFFAOYSA-N 1 2 243.270 0.701 20 0 BCADLO C[C@@H](CC(=O)Nc1cc[nH]n1)n1cc[nH+]c1 ZINC000568635046 411813789 /nfs/dbraw/zinc/81/37/89/411813789.db2.gz ORZYSMZUBYTKAB-QMMMGPOBSA-N 1 2 219.248 1.196 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661613258 411815441 /nfs/dbraw/zinc/81/54/41/411815441.db2.gz HSYIFHUXXBJRDT-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661613258 411815444 /nfs/dbraw/zinc/81/54/44/411815444.db2.gz HSYIFHUXXBJRDT-PSASIEDQSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661613264 411816148 /nfs/dbraw/zinc/81/61/48/411816148.db2.gz HSYIFHUXXBJRDT-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661613264 411816151 /nfs/dbraw/zinc/81/61/51/411816151.db2.gz HSYIFHUXXBJRDT-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H](C)[C@H]1O ZINC000661623000 411820179 /nfs/dbraw/zinc/82/01/79/411820179.db2.gz XBGMOZDAEPQMSV-MBTKJCJQSA-N 1 2 227.333 0.987 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@H](C)[C@H]1O ZINC000661623000 411820182 /nfs/dbraw/zinc/82/01/82/411820182.db2.gz XBGMOZDAEPQMSV-MBTKJCJQSA-N 1 2 227.333 0.987 20 0 BCADLO COC[C@H](COCc1[nH]cc[nH+]1)OC ZINC000664032158 411820214 /nfs/dbraw/zinc/82/02/14/411820214.db2.gz FLVALCOCGHQSQY-MRVPVSSYSA-N 1 2 200.238 0.588 20 0 BCADLO C[C@H]1C[NH+](Cc2csnn2)C[C@H](C)C1O ZINC000661623001 411820952 /nfs/dbraw/zinc/82/09/52/411820952.db2.gz XBGMOZDAEPQMSV-YUMQZZPRSA-N 1 2 227.333 0.987 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@](O)(C3CC3)C2)[nH]1 ZINC000661624801 411822088 /nfs/dbraw/zinc/82/20/88/411822088.db2.gz HISJBOWMWHJSFM-LLVKDONJSA-N 1 2 238.291 0.247 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)[nH]1 ZINC000661624801 411822093 /nfs/dbraw/zinc/82/20/93/411822093.db2.gz HISJBOWMWHJSFM-LLVKDONJSA-N 1 2 238.291 0.247 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)[nH]1 ZINC000661624807 411823075 /nfs/dbraw/zinc/82/30/75/411823075.db2.gz HISJBOWMWHJSFM-NSHDSACASA-N 1 2 238.291 0.247 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)[nH]1 ZINC000661624807 411823080 /nfs/dbraw/zinc/82/30/80/411823080.db2.gz HISJBOWMWHJSFM-NSHDSACASA-N 1 2 238.291 0.247 20 0 BCADLO Cn1c[nH+]cc1Cn1cc2c(n1)CCOC2 ZINC000664050604 411830100 /nfs/dbraw/zinc/83/01/00/411830100.db2.gz HZLUNSAGCFHJJL-UHFFFAOYSA-N 1 2 218.260 0.738 20 0 BCADLO C[C@@H](O)CNc1cc(NCC2COC2)[nH+]cn1 ZINC000528226228 411832103 /nfs/dbraw/zinc/83/21/03/411832103.db2.gz QASYIRDWYPOZIJ-MRVPVSSYSA-N 1 2 238.291 0.328 20 0 BCADLO C[C@@H](O)CNc1cc(NCC2COC2)nc[nH+]1 ZINC000528226228 411832107 /nfs/dbraw/zinc/83/21/07/411832107.db2.gz QASYIRDWYPOZIJ-MRVPVSSYSA-N 1 2 238.291 0.328 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H]2CC23CC3)[nH+]cn1 ZINC000572977416 411832253 /nfs/dbraw/zinc/83/22/53/411832253.db2.gz UMXFLGUQDDVHMH-NXEZZACHSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H]2CC23CC3)nc[nH+]1 ZINC000572977416 411832257 /nfs/dbraw/zinc/83/22/57/411832257.db2.gz UMXFLGUQDDVHMH-NXEZZACHSA-N 1 2 248.330 1.481 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CC[S@@](=O)C1 ZINC000336431073 411833501 /nfs/dbraw/zinc/83/35/01/411833501.db2.gz JTLYBJMGAVSKFK-XLFHBGCDSA-N 1 2 249.339 1.506 20 0 BCADLO CC(C)N(Cc1ccc[nH+]c1N)S(C)(=O)=O ZINC000664074088 411839746 /nfs/dbraw/zinc/83/97/46/411839746.db2.gz MZDVRJVVDJYORS-UHFFFAOYSA-N 1 2 243.332 0.834 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661711941 411852862 /nfs/dbraw/zinc/85/28/62/411852862.db2.gz GHTOZIUJSMXEHA-GZMMTYOYSA-N 1 2 223.276 0.589 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661711941 411852868 /nfs/dbraw/zinc/85/28/68/411852868.db2.gz GHTOZIUJSMXEHA-GZMMTYOYSA-N 1 2 223.276 0.589 20 0 BCADLO CCN(CCOC)c1nc(C)[nH+]c(N)n1 ZINC000379826126 411854383 /nfs/dbraw/zinc/85/43/83/411854383.db2.gz WKOMWWWPWHOJOW-UHFFFAOYSA-N 1 2 211.269 0.235 20 0 BCADLO CCN(CCOC)c1nc(N)nc(C)[nH+]1 ZINC000379826126 411854386 /nfs/dbraw/zinc/85/43/86/411854386.db2.gz WKOMWWWPWHOJOW-UHFFFAOYSA-N 1 2 211.269 0.235 20 0 BCADLO CC(=O)CCC(=O)NCc1c[nH+]c(C)nc1N ZINC000565325021 411854560 /nfs/dbraw/zinc/85/45/60/411854560.db2.gz IOEOGONYBHUAFE-UHFFFAOYSA-N 1 2 236.275 0.353 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661719615 411855993 /nfs/dbraw/zinc/85/59/93/411855993.db2.gz XHAOBOYKVSERAX-GXFFZTMASA-N 1 2 234.299 0.665 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661719615 411855996 /nfs/dbraw/zinc/85/59/96/411855996.db2.gz XHAOBOYKVSERAX-GXFFZTMASA-N 1 2 234.299 0.665 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716332 411856166 /nfs/dbraw/zinc/85/61/66/411856166.db2.gz YOZAREOOPDYYSK-WCBMZHEXSA-N 1 2 209.249 0.335 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716332 411856168 /nfs/dbraw/zinc/85/61/68/411856168.db2.gz YOZAREOOPDYYSK-WCBMZHEXSA-N 1 2 209.249 0.335 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661723417 411857896 /nfs/dbraw/zinc/85/78/96/411857896.db2.gz MNUYAZCNYICOPR-GZMMTYOYSA-N 1 2 222.292 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661723417 411857898 /nfs/dbraw/zinc/85/78/98/411857898.db2.gz MNUYAZCNYICOPR-GZMMTYOYSA-N 1 2 222.292 0.324 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1csnn1)CC2 ZINC000661723873 411860504 /nfs/dbraw/zinc/86/05/04/411860504.db2.gz WYLCXHAZJZFAHG-IONNQARKSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1csnn1)CC2 ZINC000661723873 411860506 /nfs/dbraw/zinc/86/05/06/411860506.db2.gz WYLCXHAZJZFAHG-IONNQARKSA-N 1 2 211.290 0.495 20 0 BCADLO Cn1cc(C[N@H+](C)CCOC2CCC2)nn1 ZINC000661743384 411862032 /nfs/dbraw/zinc/86/20/32/411862032.db2.gz GYEYEYWSFRJDSX-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc(C[N@@H+](C)CCOC2CCC2)nn1 ZINC000661743384 411862034 /nfs/dbraw/zinc/86/20/34/411862034.db2.gz GYEYEYWSFRJDSX-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@H](C)C[C@@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631318897 411886019 /nfs/dbraw/zinc/88/60/19/411886019.db2.gz BZOWAPSJLXLOSG-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@H](C)C[C@@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631318897 411886023 /nfs/dbraw/zinc/88/60/23/411886023.db2.gz BZOWAPSJLXLOSG-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@H](C)[C@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117054 411886259 /nfs/dbraw/zinc/88/62/59/411886259.db2.gz IYDRZHVCKOAHAL-POYBYMJQSA-N 1 2 225.296 0.003 20 0 BCADLO CC[C@H](C)[C@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117054 411886265 /nfs/dbraw/zinc/88/62/65/411886265.db2.gz IYDRZHVCKOAHAL-POYBYMJQSA-N 1 2 225.296 0.003 20 0 BCADLO Cc1cc(C[N@@H+]2CCC(=O)N(C)CC2)no1 ZINC000661804812 411887465 /nfs/dbraw/zinc/88/74/65/411887465.db2.gz OFGJXYVGRWWXAW-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cc(C[N@H+]2CCC(=O)N(C)CC2)no1 ZINC000661804812 411887468 /nfs/dbraw/zinc/88/74/68/411887468.db2.gz OFGJXYVGRWWXAW-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO CN1CCN(Cc2[nH]cc[nH+]2)CCC1=O ZINC000661809893 411888729 /nfs/dbraw/zinc/88/87/29/411888729.db2.gz JZHAMGSZCMRGJA-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO Cn1nccc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000661806603 411888758 /nfs/dbraw/zinc/88/87/58/411888758.db2.gz MTISICSDQBZHED-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806603 411888760 /nfs/dbraw/zinc/88/87/60/411888760.db2.gz MTISICSDQBZHED-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CN1CC[N@H+](Cc2ccon2)CCC1=O ZINC000661805831 411888788 /nfs/dbraw/zinc/88/87/88/411888788.db2.gz SJVYGTLUISIXMR-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CC[N@@H+](Cc2ccon2)CCC1=O ZINC000661805831 411888792 /nfs/dbraw/zinc/88/87/92/411888792.db2.gz SJVYGTLUISIXMR-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CC[N@H+](Cc2cc[nH]n2)CCC1=O ZINC000661805596 411889180 /nfs/dbraw/zinc/88/91/80/411889180.db2.gz NDYRDMOYHZHTMV-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CN1CC[N@@H+](Cc2cc[nH]n2)CCC1=O ZINC000661805596 411889184 /nfs/dbraw/zinc/88/91/84/411889184.db2.gz NDYRDMOYHZHTMV-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCCOC1 ZINC000336686338 411890401 /nfs/dbraw/zinc/89/04/01/411890401.db2.gz URLAPXCONNHPPW-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCOC1 ZINC000336686338 411890404 /nfs/dbraw/zinc/89/04/04/411890404.db2.gz URLAPXCONNHPPW-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000647756550 411893499 /nfs/dbraw/zinc/89/34/99/411893499.db2.gz RZZFZWRGBHZAOO-MRVPVSSYSA-N 1 2 234.259 0.223 20 0 BCADLO Cc1nnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000664242884 411895793 /nfs/dbraw/zinc/89/57/93/411895793.db2.gz QHUXBOHTWITULR-RKDXNWHRSA-N 1 2 240.307 0.899 20 0 BCADLO Cc1nnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000664242884 411895798 /nfs/dbraw/zinc/89/57/98/411895798.db2.gz QHUXBOHTWITULR-RKDXNWHRSA-N 1 2 240.307 0.899 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631191163 411896271 /nfs/dbraw/zinc/89/62/71/411896271.db2.gz CMBZDZIRQKOELD-RKDXNWHRSA-N 1 2 237.307 0.411 20 0 BCADLO CO[C@@H]1CCC[C@@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631191163 411896275 /nfs/dbraw/zinc/89/62/75/411896275.db2.gz CMBZDZIRQKOELD-RKDXNWHRSA-N 1 2 237.307 0.411 20 0 BCADLO CCC(F)(F)CNc1nc(C)[nH+]c(N)n1 ZINC000631396946 411896371 /nfs/dbraw/zinc/89/63/71/411896371.db2.gz DTDNYQHMYDLABJ-UHFFFAOYSA-N 1 2 217.223 0.641 20 0 BCADLO CCC(F)(F)CNc1nc(N)nc(C)[nH+]1 ZINC000631396946 411896373 /nfs/dbraw/zinc/89/63/73/411896373.db2.gz DTDNYQHMYDLABJ-UHFFFAOYSA-N 1 2 217.223 0.641 20 0 BCADLO CCC(CC)[C@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000383442968 411896538 /nfs/dbraw/zinc/89/65/38/411896538.db2.gz FGDSCONMVPQHJB-SECBINFHSA-N 1 2 239.323 0.393 20 0 BCADLO CCC(CC)[C@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000383442968 411896542 /nfs/dbraw/zinc/89/65/42/411896542.db2.gz FGDSCONMVPQHJB-SECBINFHSA-N 1 2 239.323 0.393 20 0 BCADLO Cn1ncnc1C(=O)NCCNc1cccc[nH+]1 ZINC000664247199 411897849 /nfs/dbraw/zinc/89/78/49/411897849.db2.gz FSYZVDLBDCHXSU-UHFFFAOYSA-N 1 2 246.274 0.052 20 0 BCADLO C[C@@H](c1nccc(N)n1)N(C)Cc1[nH+]ccn1C ZINC000564734628 411902375 /nfs/dbraw/zinc/90/23/75/411902375.db2.gz GESVLRXCHHGMOJ-VIFPVBQESA-N 1 2 246.318 0.985 20 0 BCADLO Cc1nc(NCCc2ccccn2)nc(N)[nH+]1 ZINC000379991928 411942464 /nfs/dbraw/zinc/94/24/64/411942464.db2.gz UEVSZWSCPRJJHK-UHFFFAOYSA-N 1 2 230.275 0.234 20 0 BCADLO Cc1nc(N)nc(NCCc2ccccn2)[nH+]1 ZINC000379991928 411942468 /nfs/dbraw/zinc/94/24/68/411942468.db2.gz UEVSZWSCPRJJHK-UHFFFAOYSA-N 1 2 230.275 0.234 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@H](C)O1 ZINC000661858234 411905307 /nfs/dbraw/zinc/90/53/07/411905307.db2.gz VTHHPKGKNSPEBD-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@H](C)O1 ZINC000661858234 411905310 /nfs/dbraw/zinc/90/53/10/411905310.db2.gz VTHHPKGKNSPEBD-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N)nc1 ZINC000592432923 411909817 /nfs/dbraw/zinc/90/98/17/411909817.db2.gz ZBCSHIGODWDKOS-MRVPVSSYSA-N 1 2 223.276 0.657 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N)nc1 ZINC000592432923 411909822 /nfs/dbraw/zinc/90/98/22/411909822.db2.gz ZBCSHIGODWDKOS-MRVPVSSYSA-N 1 2 223.276 0.657 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422790564 411913342 /nfs/dbraw/zinc/91/33/42/411913342.db2.gz PJDSMBFZMYBKAW-JGVFFNPUSA-N 1 2 235.243 0.411 20 0 BCADLO CCC[C@@H](C)[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631332155 411913379 /nfs/dbraw/zinc/91/33/79/411913379.db2.gz ZEJXEJMPRPXHEN-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO CCC[C@@H](C)[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631332155 411913382 /nfs/dbraw/zinc/91/33/82/411913382.db2.gz ZEJXEJMPRPXHEN-APPZFPTMSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cncn2C)c[nH+]1 ZINC000517570578 411915481 /nfs/dbraw/zinc/91/54/81/411915481.db2.gz FRBWLZLKXRVLMO-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BCADLO Cc1ncoc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000568093890 411916894 /nfs/dbraw/zinc/91/68/94/411916894.db2.gz QWXNWKQLXKDYOO-UHFFFAOYSA-N 1 2 247.258 0.594 20 0 BCADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)c1cnn(C)c1 ZINC000582490689 411917041 /nfs/dbraw/zinc/91/70/41/411917041.db2.gz CFKMMTFCESFWPL-QMMMGPOBSA-N 1 2 245.286 1.140 20 0 BCADLO Cc1nc(NC[C@@H]2CCC[C@H](C)O2)nc(N)[nH+]1 ZINC000631368260 411943096 /nfs/dbraw/zinc/94/30/96/411943096.db2.gz AOXDBKGIDXXIDG-CBAPKCEASA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H](C)O2)[nH+]1 ZINC000631368260 411943101 /nfs/dbraw/zinc/94/31/01/411943101.db2.gz AOXDBKGIDXXIDG-CBAPKCEASA-N 1 2 237.307 0.554 20 0 BCADLO CCc1cc(N(C)C[C@@H]2COCCO2)nc[nH+]1 ZINC000664337113 411924682 /nfs/dbraw/zinc/92/46/82/411924682.db2.gz JDUFRUGJUYDWTJ-LLVKDONJSA-N 1 2 237.303 0.891 20 0 BCADLO CCc1cc(N(C)C[C@H]2COCCO2)nc[nH+]1 ZINC000664337114 411924729 /nfs/dbraw/zinc/92/47/29/411924729.db2.gz JDUFRUGJUYDWTJ-NSHDSACASA-N 1 2 237.303 0.891 20 0 BCADLO Cc1nc(NCCc2ccc(O)cc2)nc(N)[nH+]1 ZINC000382177922 411943303 /nfs/dbraw/zinc/94/33/03/411943303.db2.gz SPRGQJQQTSWOCX-UHFFFAOYSA-N 1 2 245.286 0.544 20 0 BCADLO Cc1nc(N)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000382177922 411943309 /nfs/dbraw/zinc/94/33/09/411943309.db2.gz SPRGQJQQTSWOCX-UHFFFAOYSA-N 1 2 245.286 0.544 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc(N)[nH+]1 ZINC000631301078 411943428 /nfs/dbraw/zinc/94/34/28/411943428.db2.gz BPINIVPWBXIXNW-OOZYFLPDSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@H](C)O[C@@H]2C)[nH+]1 ZINC000631301078 411943435 /nfs/dbraw/zinc/94/34/35/411943435.db2.gz BPINIVPWBXIXNW-OOZYFLPDSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(NC[C@@H]2C(C)(C)C2(F)F)nc(N)[nH+]1 ZINC000631377711 411943448 /nfs/dbraw/zinc/94/34/48/411943448.db2.gz GFBGHEDGQTVKDX-ZCFIWIBFSA-N 1 2 243.261 0.887 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C(C)(C)C2(F)F)[nH+]1 ZINC000631377711 411943452 /nfs/dbraw/zinc/94/34/52/411943452.db2.gz GFBGHEDGQTVKDX-ZCFIWIBFSA-N 1 2 243.261 0.887 20 0 BCADLO Nc1nc(NC[C@H]2C[C@@H](O)C2)[nH+]c2ccccc12 ZINC000624666447 411930500 /nfs/dbraw/zinc/93/05/00/411930500.db2.gz BOGVHUNUOQNMFL-KYZUINATSA-N 1 2 244.298 0.817 20 0 BCADLO CC(C)(F)CCNc1[nH+]cnc2c1OCCN2 ZINC000664371245 411933350 /nfs/dbraw/zinc/93/33/50/411933350.db2.gz IVHYJRDEEFOGEP-UHFFFAOYSA-N 1 2 240.282 0.944 20 0 BCADLO CC(C)(F)CCNc1nc[nH+]c2c1OCCN2 ZINC000664371245 411933353 /nfs/dbraw/zinc/93/33/53/411933353.db2.gz IVHYJRDEEFOGEP-UHFFFAOYSA-N 1 2 240.282 0.944 20 0 BCADLO Cc1nc(N[C@@H](C)C[C@H]2CCOC2)nc(N)[nH+]1 ZINC000631164909 411943543 /nfs/dbraw/zinc/94/35/43/411943543.db2.gz DNFHZBZGMXHMMC-IONNQARKSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)C[C@H]2CCOC2)[nH+]1 ZINC000631164909 411943549 /nfs/dbraw/zinc/94/35/49/411943549.db2.gz DNFHZBZGMXHMMC-IONNQARKSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1cncnc1NCc1c[nH+]c(C)nc1N ZINC000641644279 411934817 /nfs/dbraw/zinc/93/48/17/411934817.db2.gz ATJNADWYISUUFK-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Nc1ncc2c(n1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000623294269 411936931 /nfs/dbraw/zinc/93/69/31/411936931.db2.gz YUGAKLOTZWIXTP-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996677 411937299 /nfs/dbraw/zinc/93/72/99/411937299.db2.gz COFXVOMVXCARHJ-UHFFFAOYSA-N 1 2 224.304 0.363 20 0 BCADLO NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996677 411937302 /nfs/dbraw/zinc/93/73/02/411937302.db2.gz COFXVOMVXCARHJ-UHFFFAOYSA-N 1 2 224.304 0.363 20 0 BCADLO Cc1nc(NCCCC2(O)CCC2)nc(N)[nH+]1 ZINC000631308957 411943670 /nfs/dbraw/zinc/94/36/70/411943670.db2.gz IKTWFVAKDWAMBA-UHFFFAOYSA-N 1 2 237.307 0.291 20 0 BCADLO Cc1nc(N)nc(NCCCC2(O)CCC2)[nH+]1 ZINC000631308957 411943673 /nfs/dbraw/zinc/94/36/73/411943673.db2.gz IKTWFVAKDWAMBA-UHFFFAOYSA-N 1 2 237.307 0.291 20 0 BCADLO Cc1nc(N(C)[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000401466990 411943699 /nfs/dbraw/zinc/94/36/99/411943699.db2.gz VRCOIBKBJHUTPS-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N(C)[C@H]2CCCOC2)[nH+]1 ZINC000401466990 411943706 /nfs/dbraw/zinc/94/37/06/411943706.db2.gz VRCOIBKBJHUTPS-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CCO[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000582563012 411869018 /nfs/dbraw/zinc/86/90/18/411869018.db2.gz SECSWBHNTQXGDS-ZETCQYMHSA-N 1 2 238.291 0.408 20 0 BCADLO CSC[C@H](CCO)Nc1nc(C)[nH+]c(N)n1 ZINC000601120142 411872856 /nfs/dbraw/zinc/87/28/56/411872856.db2.gz GJFDDVXDGGONMQ-ZETCQYMHSA-N 1 2 243.336 0.288 20 0 BCADLO CSC[C@H](CCO)Nc1nc(N)nc(C)[nH+]1 ZINC000601120142 411872861 /nfs/dbraw/zinc/87/28/61/411872861.db2.gz GJFDDVXDGGONMQ-ZETCQYMHSA-N 1 2 243.336 0.288 20 0 BCADLO CCSCCCNc1nc(C)[nH+]c(N)n1 ZINC000379917219 411875565 /nfs/dbraw/zinc/87/55/65/411875565.db2.gz PWVWKMSMFPYRSW-UHFFFAOYSA-N 1 2 227.337 0.739 20 0 BCADLO CCSCCCNc1nc(N)nc(C)[nH+]1 ZINC000379917219 411875568 /nfs/dbraw/zinc/87/55/68/411875568.db2.gz PWVWKMSMFPYRSW-UHFFFAOYSA-N 1 2 227.337 0.739 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661773892 411882514 /nfs/dbraw/zinc/88/25/14/411882514.db2.gz KQJJJAUICBKIFL-IONNQARKSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661773892 411882518 /nfs/dbraw/zinc/88/25/18/411882518.db2.gz KQJJJAUICBKIFL-IONNQARKSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(N2CC[C@@H](CO)C[C@H]2C)nc(N)[nH+]1 ZINC000631395211 411964315 /nfs/dbraw/zinc/96/43/15/411964315.db2.gz XHBDOQQBYQQATH-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](CO)C[C@H]2C)[nH+]1 ZINC000631395211 411964321 /nfs/dbraw/zinc/96/43/21/411964321.db2.gz XHBDOQQBYQQATH-VXNVDRBHSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N2CCC[C@@]3(CCOC3)C2)nc(N)[nH+]1 ZINC000631294761 411964377 /nfs/dbraw/zinc/96/43/77/411964377.db2.gz NWQLAOYVTMOCDQ-GFCCVEGCSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@]3(CCOC3)C2)[nH+]1 ZINC000631294761 411964379 /nfs/dbraw/zinc/96/43/79/411964379.db2.gz NWQLAOYVTMOCDQ-GFCCVEGCSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N2CC[C@]3(CCOC3)C2)nc(N)[nH+]1 ZINC000631162205 411965641 /nfs/dbraw/zinc/96/56/41/411965641.db2.gz YZQGDSRFZBGLNO-NSHDSACASA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N)nc(N2CC[C@]3(CCOC3)C2)[nH+]1 ZINC000631162205 411965645 /nfs/dbraw/zinc/96/56/45/411965645.db2.gz YZQGDSRFZBGLNO-NSHDSACASA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N2CC[C@H]3C[C@H]3C2)nc(N)[nH+]1 ZINC000631378576 411965676 /nfs/dbraw/zinc/96/56/76/411965676.db2.gz OOFFLPKFJRWYKE-YUMQZZPRSA-N 1 2 205.265 0.608 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000631378576 411965679 /nfs/dbraw/zinc/96/56/79/411965679.db2.gz OOFFLPKFJRWYKE-YUMQZZPRSA-N 1 2 205.265 0.608 20 0 BCADLO Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)nc(N)[nH+]1 ZINC000631312269 411966383 /nfs/dbraw/zinc/96/63/83/411966383.db2.gz BZTFCJMKVAELFS-CBAPKCEASA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)C[C@H](CO)C2)[nH+]1 ZINC000631312269 411966388 /nfs/dbraw/zinc/96/63/88/411966388.db2.gz BZTFCJMKVAELFS-CBAPKCEASA-N 1 2 237.307 0.217 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1c[nH+]c(C)nc1N ZINC000580315113 411968378 /nfs/dbraw/zinc/96/83/78/411968378.db2.gz UUCYNJHOYUEONQ-UHFFFAOYSA-N 1 2 245.286 0.934 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000662057419 411968333 /nfs/dbraw/zinc/96/83/33/411968333.db2.gz OLDBXGZAMJECLX-NSHDSACASA-N 1 2 248.330 0.854 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000662057419 411968335 /nfs/dbraw/zinc/96/83/35/411968335.db2.gz OLDBXGZAMJECLX-NSHDSACASA-N 1 2 248.330 0.854 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000662056532 411968539 /nfs/dbraw/zinc/96/85/39/411968539.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000662056532 411968541 /nfs/dbraw/zinc/96/85/41/411968541.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000662056532 411968542 /nfs/dbraw/zinc/96/85/42/411968542.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000662056532 411968543 /nfs/dbraw/zinc/96/85/43/411968543.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000662056532 411968545 /nfs/dbraw/zinc/96/85/45/411968545.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000662056532 411968546 /nfs/dbraw/zinc/96/85/46/411968546.db2.gz ZSSIBNPOUHJXBO-JTQLQIEISA-N 1 2 249.318 0.249 20 0 BCADLO Cc1nc(N[C@H]2CC[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631291628 411968930 /nfs/dbraw/zinc/96/89/30/411968930.db2.gz VEQNKWVEVDVVSE-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CC[C@@H](CO)C2)[nH+]1 ZINC000631291628 411968935 /nfs/dbraw/zinc/96/89/35/411968935.db2.gz VEQNKWVEVDVVSE-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1ccc(N)nc1)C2 ZINC000647537716 411971397 /nfs/dbraw/zinc/97/13/97/411971397.db2.gz COZNGBYWSDHDTR-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccc(N)nc1)C2 ZINC000647537716 411971403 /nfs/dbraw/zinc/97/14/03/411971403.db2.gz COZNGBYWSDHDTR-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO OCC1(CO)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000664514705 411973963 /nfs/dbraw/zinc/97/39/63/411973963.db2.gz AZHPHQFIWXOJFJ-UHFFFAOYSA-N 1 2 247.298 0.744 20 0 BCADLO OCC1(CO)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664517758 411975341 /nfs/dbraw/zinc/97/53/41/411975341.db2.gz HRGPULHCQWMOBN-UHFFFAOYSA-N 1 2 249.314 0.535 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H]2C[C@H]2C1 ZINC000664526879 411978871 /nfs/dbraw/zinc/97/88/71/411978871.db2.gz YMNNMOBRSSBQJD-YUMQZZPRSA-N 1 2 220.276 0.914 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H]2C[C@H]2C1 ZINC000664526879 411978876 /nfs/dbraw/zinc/97/88/76/411978876.db2.gz YMNNMOBRSSBQJD-YUMQZZPRSA-N 1 2 220.276 0.914 20 0 BCADLO CCc1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662078474 411980276 /nfs/dbraw/zinc/98/02/76/411980276.db2.gz KPEXMNZJYZRUNM-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO CCc1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662078474 411980282 /nfs/dbraw/zinc/98/02/82/411980282.db2.gz KPEXMNZJYZRUNM-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO Cc1nc(N)c(CNC(=O)CCCF)c[nH+]1 ZINC000614740742 411982019 /nfs/dbraw/zinc/98/20/19/411982019.db2.gz HXAAQRFWLNAYNA-UHFFFAOYSA-N 1 2 226.255 0.733 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2CC=CC2)c[nH+]1 ZINC000552018837 411984654 /nfs/dbraw/zinc/98/46/54/411984654.db2.gz GXMXMRHAAMFCCD-UHFFFAOYSA-N 1 2 232.287 0.950 20 0 BCADLO CC[C@@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662095059 411984694 /nfs/dbraw/zinc/98/46/94/411984694.db2.gz FQNDJNGTFWRLGE-BDAKNGLRSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@@H](NC(=O)N1CC(F)C1)c1[nH+]ccn1C ZINC000662091599 411984858 /nfs/dbraw/zinc/98/48/58/411984858.db2.gz LMHBKFBEGWNSIC-SSDOTTSWSA-N 1 2 226.255 0.844 20 0 BCADLO Cc1nc(N)c(CNC(=O)Cc2ccco2)c[nH+]1 ZINC000560499268 411985195 /nfs/dbraw/zinc/98/51/95/411985195.db2.gz LNWTXNRAMILWJV-UHFFFAOYSA-N 1 2 246.270 0.819 20 0 BCADLO COC(=O)c1cnc(C[NH2+]CCF)s1 ZINC000894647026 583500633 /nfs/dbraw/zinc/50/06/33/583500633.db2.gz BQYDPPGUIQOLSB-UHFFFAOYSA-N 1 2 218.253 0.989 20 0 BCADLO COCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662102058 411988468 /nfs/dbraw/zinc/98/84/68/411988468.db2.gz XSIWFDJLKAPJID-VIFPVBQESA-N 1 2 240.307 0.817 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC2(COC2)C1 ZINC000664573770 411990904 /nfs/dbraw/zinc/99/09/04/411990904.db2.gz SESMAPXRWUXIAW-UHFFFAOYSA-N 1 2 236.275 0.294 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC2(COC2)C1 ZINC000664573770 411990908 /nfs/dbraw/zinc/99/09/08/411990908.db2.gz SESMAPXRWUXIAW-UHFFFAOYSA-N 1 2 236.275 0.294 20 0 BCADLO Cn1c[nH+]c(CN2CCc3nccnc3C2)c1 ZINC000662121640 411992035 /nfs/dbraw/zinc/99/20/35/411992035.db2.gz QQJDICTZCHHXMU-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO CN(C(=O)C[N@@H+]1CCc2nccnc2C1)C1CC1 ZINC000662123024 411993838 /nfs/dbraw/zinc/99/38/38/411993838.db2.gz SUBCRCSDTOGRDE-UHFFFAOYSA-N 1 2 246.314 0.456 20 0 BCADLO CN(C(=O)C[N@H+]1CCc2nccnc2C1)C1CC1 ZINC000662123024 411993839 /nfs/dbraw/zinc/99/38/39/411993839.db2.gz SUBCRCSDTOGRDE-UHFFFAOYSA-N 1 2 246.314 0.456 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662125507 411993849 /nfs/dbraw/zinc/99/38/49/411993849.db2.gz VDUZQLADFFNJMZ-LLVKDONJSA-N 1 2 232.287 0.065 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662125507 411993851 /nfs/dbraw/zinc/99/38/51/411993851.db2.gz VDUZQLADFFNJMZ-LLVKDONJSA-N 1 2 232.287 0.065 20 0 BCADLO Cc1nc(NC[C@H]2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC000631277256 411943890 /nfs/dbraw/zinc/94/38/90/411943890.db2.gz XSEZDVXTMDXZLN-IONNQARKSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCOC[C@@H]2C)[nH+]1 ZINC000631277256 411943894 /nfs/dbraw/zinc/94/38/94/411943894.db2.gz XSEZDVXTMDXZLN-IONNQARKSA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc(N)[nH+]1 ZINC000631301077 411944311 /nfs/dbraw/zinc/94/43/11/411944311.db2.gz BPINIVPWBXIXNW-FJXKBIBVSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)[nH+]1 ZINC000631301077 411944314 /nfs/dbraw/zinc/94/43/14/411944314.db2.gz BPINIVPWBXIXNW-FJXKBIBVSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(N[C@@H](C)C[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000631164906 411944471 /nfs/dbraw/zinc/94/44/71/411944471.db2.gz DNFHZBZGMXHMMC-CBAPKCEASA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)C[C@@H]2CCOC2)[nH+]1 ZINC000631164906 411944476 /nfs/dbraw/zinc/94/44/76/411944476.db2.gz DNFHZBZGMXHMMC-CBAPKCEASA-N 1 2 237.307 0.411 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038799 411955845 /nfs/dbraw/zinc/95/58/45/411955845.db2.gz XCJGPIPEQPEPLN-ZJUUUORDSA-N 1 2 236.319 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038799 411955850 /nfs/dbraw/zinc/95/58/50/411955850.db2.gz XCJGPIPEQPEPLN-ZJUUUORDSA-N 1 2 236.319 0.835 20 0 BCADLO Cc1cc(N)nc(SCCc2cn[nH]n2)[nH+]1 ZINC000562440204 411958891 /nfs/dbraw/zinc/95/88/91/411958891.db2.gz YQHVFUTZYCLJDM-UHFFFAOYSA-N 1 2 236.304 0.820 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCC(=O)N(C)C)s1 ZINC000662257723 412050910 /nfs/dbraw/zinc/05/09/10/412050910.db2.gz URFVTRIKAKBZMR-UHFFFAOYSA-N 1 2 242.348 0.757 20 0 BCADLO Cc1nnc(C[N@H+](C)CCC(=O)N(C)C)s1 ZINC000662257723 412050913 /nfs/dbraw/zinc/05/09/13/412050913.db2.gz URFVTRIKAKBZMR-UHFFFAOYSA-N 1 2 242.348 0.757 20 0 BCADLO Cn1cc(C[N@H+](C)CC2=CCSC2)nn1 ZINC000662262532 412053630 /nfs/dbraw/zinc/05/36/30/412053630.db2.gz AJOLUZIRPCRGHW-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cn1cc(C[N@@H+](C)CC2=CCSC2)nn1 ZINC000662262532 412053634 /nfs/dbraw/zinc/05/36/34/412053634.db2.gz AJOLUZIRPCRGHW-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC1=CCSC1 ZINC000662265350 412057472 /nfs/dbraw/zinc/05/74/72/412057472.db2.gz XHGAHEXPMYQXGK-QMMMGPOBSA-N 1 2 239.348 0.876 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC1=CCSC1 ZINC000662265350 412057473 /nfs/dbraw/zinc/05/74/73/412057473.db2.gz XHGAHEXPMYQXGK-QMMMGPOBSA-N 1 2 239.348 0.876 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000336754920 171044234 /nfs/dbraw/zinc/04/42/34/171044234.db2.gz HUCSAEFZBZYSRS-DOLQZWNJSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111276079 171076006 /nfs/dbraw/zinc/07/60/06/171076006.db2.gz RYYYWKWIFMLVLX-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111276079 171076008 /nfs/dbraw/zinc/07/60/08/171076008.db2.gz RYYYWKWIFMLVLX-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC000270508281 171097430 /nfs/dbraw/zinc/09/74/30/171097430.db2.gz WENWPRGBKMNWMV-NXEZZACHSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC000270508286 171097896 /nfs/dbraw/zinc/09/78/96/171097896.db2.gz WENWPRGBKMNWMV-ZJUUUORDSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@@H]1O ZINC000340575379 171097953 /nfs/dbraw/zinc/09/79/53/171097953.db2.gz SPDLRTWGTIFDHG-ZJUUUORDSA-N 1 2 207.277 0.992 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000270427113 171100538 /nfs/dbraw/zinc/10/05/38/171100538.db2.gz ALCLYLOJPRBJRZ-PSASIEDQSA-N 1 2 247.302 0.570 20 0 BCADLO O=S1(=O)CCC[C@@H]([NH2+]C(CF)CF)C1 ZINC000894666082 583501785 /nfs/dbraw/zinc/50/17/85/583501785.db2.gz FNYQJAIDKBUCHW-SSDOTTSWSA-N 1 2 227.276 0.461 20 0 BCADLO CC[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000359977039 171102360 /nfs/dbraw/zinc/10/23/60/171102360.db2.gz NNXZXTKPQATVSG-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333251972 171137026 /nfs/dbraw/zinc/13/70/26/171137026.db2.gz KLPSICOYACVWRF-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333251972 171137027 /nfs/dbraw/zinc/13/70/27/171137027.db2.gz KLPSICOYACVWRF-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267786360 171144729 /nfs/dbraw/zinc/14/47/29/171144729.db2.gz OQDJWFMNXITUCD-QMMMGPOBSA-N 1 2 222.248 0.251 20 0 BCADLO CC[C@@](C)([NH2+]CCc1cnn(C)c1)C(=O)OC ZINC000293307803 171175339 /nfs/dbraw/zinc/17/53/39/171175339.db2.gz VJDHKDUJCCAIDX-GFCCVEGCSA-N 1 2 239.319 0.894 20 0 BCADLO CC[C@@](C)(O)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000372464274 171180295 /nfs/dbraw/zinc/18/02/95/171180295.db2.gz PZFXRQUPRXFMIV-LLVKDONJSA-N 1 2 224.308 0.563 20 0 BCADLO CC[C@@](C)(O)C[N@H+]1CCn2nc(C)nc2C1 ZINC000372464274 171180297 /nfs/dbraw/zinc/18/02/97/171180297.db2.gz PZFXRQUPRXFMIV-LLVKDONJSA-N 1 2 224.308 0.563 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC ZINC000336516629 171204883 /nfs/dbraw/zinc/20/48/83/171204883.db2.gz MBMDMHRHPNSUID-JTQLQIEISA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC ZINC000336516629 171204886 /nfs/dbraw/zinc/20/48/86/171204886.db2.gz MBMDMHRHPNSUID-JTQLQIEISA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@H](C(=O)Nc1nn[nH]n1)[NH+](CC)CC ZINC000346228783 171235302 /nfs/dbraw/zinc/23/53/02/171235302.db2.gz WCRFWWYUDKKCAO-SSDOTTSWSA-N 1 2 226.284 0.259 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCc1cnccn1 ZINC000357075106 171240535 /nfs/dbraw/zinc/24/05/35/171240535.db2.gz VCXWHQHHORKVHH-LLVKDONJSA-N 1 2 237.303 0.903 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCc1cnccn1 ZINC000357075106 171240538 /nfs/dbraw/zinc/24/05/38/171240538.db2.gz VCXWHQHHORKVHH-LLVKDONJSA-N 1 2 237.303 0.903 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366725031 171245225 /nfs/dbraw/zinc/24/52/25/171245225.db2.gz VJSGDEWPGSHFSK-GHMZBOCLSA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366725031 171245226 /nfs/dbraw/zinc/24/52/26/171245226.db2.gz VJSGDEWPGSHFSK-GHMZBOCLSA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000359562824 171259951 /nfs/dbraw/zinc/25/99/51/171259951.db2.gz YWTVSTSDASYKJI-NWDGAFQWSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000359562824 171259953 /nfs/dbraw/zinc/25/99/53/171259953.db2.gz YWTVSTSDASYKJI-NWDGAFQWSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N(C)C ZINC000337251504 171310928 /nfs/dbraw/zinc/31/09/28/171310928.db2.gz RBVDKMLKCNPQES-VIFPVBQESA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N(C)C ZINC000337251504 171310930 /nfs/dbraw/zinc/31/09/30/171310930.db2.gz RBVDKMLKCNPQES-VIFPVBQESA-N 1 2 230.308 0.348 20 0 BCADLO CC[C@H](C)NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000272629053 171323425 /nfs/dbraw/zinc/32/34/25/171323425.db2.gz VYDIJKLVDUPNMP-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000027214305 171324054 /nfs/dbraw/zinc/32/40/54/171324054.db2.gz ZVCGHYXYKGPAKQ-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000027214305 171324055 /nfs/dbraw/zinc/32/40/55/171324055.db2.gz ZVCGHYXYKGPAKQ-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@H](C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000180022508 171326849 /nfs/dbraw/zinc/32/68/49/171326849.db2.gz RMMZODUBRVPVCP-QMMMGPOBSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356136417 171329107 /nfs/dbraw/zinc/32/91/07/171329107.db2.gz XLPMLJFXMDFUKP-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356136417 171329108 /nfs/dbraw/zinc/32/91/08/171329108.db2.gz XLPMLJFXMDFUKP-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284526870 171423961 /nfs/dbraw/zinc/42/39/61/171423961.db2.gz WMJJYDACZJAUOK-HMDXOVGESA-N 1 2 237.303 0.948 20 0 BCADLO COCC1([NH2+]Cc2nnn(C)n2)CCCCC1 ZINC000662340636 412110299 /nfs/dbraw/zinc/11/02/99/412110299.db2.gz ZKIJJAJOEZDEDF-UHFFFAOYSA-N 1 2 239.323 0.649 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+](CCn2cncn2)CCO1 ZINC000662368881 412128284 /nfs/dbraw/zinc/12/82/84/412128284.db2.gz HAWYNAVPAPMYJJ-JTQLQIEISA-N 1 2 246.261 0.634 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+](CCn2cncn2)CCO1 ZINC000662368881 412128288 /nfs/dbraw/zinc/12/82/88/412128288.db2.gz HAWYNAVPAPMYJJ-JTQLQIEISA-N 1 2 246.261 0.634 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2cc(C3CC3)ncn2)C1 ZINC000641320543 412254663 /nfs/dbraw/zinc/25/46/63/412254663.db2.gz DUCLGMJBSFADCU-NSHDSACASA-N 1 2 248.330 1.097 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2cc(C3CC3)ncn2)C1 ZINC000641320543 412254667 /nfs/dbraw/zinc/25/46/67/412254667.db2.gz DUCLGMJBSFADCU-NSHDSACASA-N 1 2 248.330 1.097 20 0 BCADLO CC(C)(Nc1nccn2nnnc12)c1[nH]cc[nH+]1 ZINC000641665043 412257673 /nfs/dbraw/zinc/25/76/73/412257673.db2.gz PSVLABMCVXNZRV-UHFFFAOYSA-N 1 2 244.262 0.590 20 0 BCADLO CNC(=O)CCCNc1nc(C)[nH+]cc1C ZINC000571106152 412262332 /nfs/dbraw/zinc/26/23/32/412262332.db2.gz ZDGHXTXQGUNMCR-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000450838300 412265161 /nfs/dbraw/zinc/26/51/61/412265161.db2.gz AMWVKZFORGAZRV-MRVPVSSYSA-N 1 2 234.303 1.291 20 0 BCADLO C[C@H]1C[N@H+](CCNc2cccnn2)CCO1 ZINC000381288161 412266853 /nfs/dbraw/zinc/26/68/53/412266853.db2.gz CHAUFSBNZYUEIS-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2cccnn2)CCO1 ZINC000381288161 412266855 /nfs/dbraw/zinc/26/68/55/412266855.db2.gz CHAUFSBNZYUEIS-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000644154659 412285820 /nfs/dbraw/zinc/28/58/20/412285820.db2.gz SBKFFMWMYSCHPW-QMMMGPOBSA-N 1 2 236.319 1.321 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccn(C)n1 ZINC000341760269 412235594 /nfs/dbraw/zinc/23/55/94/412235594.db2.gz CEEGPFFNIITQCH-UHFFFAOYSA-N 1 2 248.290 0.818 20 0 BCADLO C[C@H](O)CNc1cc(NCC2(C)CC2)[nH+]cn1 ZINC000413177914 412249152 /nfs/dbraw/zinc/24/91/52/412249152.db2.gz VBXNKCPIRYQKRW-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BCADLO C[C@H](O)CNc1cc(NCC2(C)CC2)nc[nH+]1 ZINC000413177914 412249155 /nfs/dbraw/zinc/24/91/55/412249155.db2.gz VBXNKCPIRYQKRW-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BCADLO CNc1cc2c(nn1)CC[N@H+](Cc1ccno1)C2 ZINC000591868302 412306065 /nfs/dbraw/zinc/30/60/65/412306065.db2.gz LZPFADPCCGTEFC-UHFFFAOYSA-N 1 2 245.286 1.065 20 0 BCADLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccno1)C2 ZINC000591868302 412306070 /nfs/dbraw/zinc/30/60/70/412306070.db2.gz LZPFADPCCGTEFC-UHFFFAOYSA-N 1 2 245.286 1.065 20 0 BCADLO Cc1cc(NC(=O)Nc2cc[nH+]cc2C)nn1C ZINC000336535120 412366217 /nfs/dbraw/zinc/36/62/17/412366217.db2.gz VXGBLPMWRWIBCG-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BCADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H](O)C1CC1 ZINC000665396386 412307701 /nfs/dbraw/zinc/30/77/01/412307701.db2.gz FSSKOBOWQSYXSN-GFCCVEGCSA-N 1 2 245.282 0.721 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cc(C2CC2)[nH]n1 ZINC000586755145 412312324 /nfs/dbraw/zinc/31/23/24/412312324.db2.gz CGKYAPMJMNODRN-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BCADLO Cc1cc(CNc2nc[nH+]c3c2OCCN3)on1 ZINC000647859473 412318736 /nfs/dbraw/zinc/31/87/36/412318736.db2.gz LJOGQHNYTMEWQH-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BCADLO Cc1cc(CNc2[nH+]cnc3c2OCCN3)on1 ZINC000647859473 412318738 /nfs/dbraw/zinc/31/87/38/412318738.db2.gz LJOGQHNYTMEWQH-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BCADLO CC(C)c1nc(N[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000599830185 412323696 /nfs/dbraw/zinc/32/36/96/412323696.db2.gz MMGCWLUGFMTEGK-SECBINFHSA-N 1 2 234.303 1.243 20 0 BCADLO COC(=O)C1(CNc2nc(C)[nH+]cc2C)CC1 ZINC000565228748 412323711 /nfs/dbraw/zinc/32/37/11/412323711.db2.gz IECXUEMHBMMEMS-UHFFFAOYSA-N 1 2 235.287 1.459 20 0 BCADLO CC(C)c1nc(N[C@H](C)CC(N)=O)cc[nH+]1 ZINC000336729834 412324204 /nfs/dbraw/zinc/32/42/04/412324204.db2.gz DHAXAYUSNGHRQV-MRVPVSSYSA-N 1 2 222.292 1.276 20 0 BCADLO COC(=O)CCCNc1cc(C)[nH+]cn1 ZINC000450219844 412324899 /nfs/dbraw/zinc/32/48/99/412324899.db2.gz ZJBISMDKFKLQLI-UHFFFAOYSA-N 1 2 209.249 1.150 20 0 BCADLO Cc1nccnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000665475217 412332484 /nfs/dbraw/zinc/33/24/84/412332484.db2.gz QRHSGWVWCFEAEP-UHFFFAOYSA-N 1 2 245.286 0.791 20 0 BCADLO CCCCc1cc(NC[C@](C)(O)CO)nc[nH+]1 ZINC000631258315 412347470 /nfs/dbraw/zinc/34/74/70/412347470.db2.gz QBWYEWFYQUZBQW-LBPRGKRZSA-N 1 2 239.319 0.974 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373581263 412358202 /nfs/dbraw/zinc/35/82/02/412358202.db2.gz JZMGFMDKUIQZKY-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO Nc1[nH+]cnc(NCCC2(CO)CC2)c1Cl ZINC000395786725 412303575 /nfs/dbraw/zinc/30/35/75/412303575.db2.gz ADRYEQJIISGLFZ-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BCADLO Nc1nc[nH+]c(NCCC2(CO)CC2)c1Cl ZINC000395786725 412303577 /nfs/dbraw/zinc/30/35/77/412303577.db2.gz ADRYEQJIISGLFZ-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BCADLO CCN(C)c1ccc(CNc2nnco2)c[nH+]1 ZINC000351547234 412373215 /nfs/dbraw/zinc/37/32/15/412373215.db2.gz WCQFEKGCNKSZSZ-UHFFFAOYSA-N 1 2 233.275 1.533 20 0 BCADLO COCC[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568243779 412374737 /nfs/dbraw/zinc/37/47/37/412374737.db2.gz OPTIUNLMYFUZGF-GFCCVEGCSA-N 1 2 239.319 1.293 20 0 BCADLO CCc1nc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000359227326 171945979 /nfs/dbraw/zinc/94/59/79/171945979.db2.gz WKHJZFJTJYLBDT-UHFFFAOYSA-N 1 2 221.220 0.285 20 0 BCADLO CCc1nnc(C[N@H+](C)CCCO)n1C ZINC000330363392 172047340 /nfs/dbraw/zinc/04/73/40/172047340.db2.gz AVJMRBGSQKIFGZ-UHFFFAOYSA-N 1 2 212.297 0.192 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCCO)n1C ZINC000330363392 172047342 /nfs/dbraw/zinc/04/73/42/172047342.db2.gz AVJMRBGSQKIFGZ-UHFFFAOYSA-N 1 2 212.297 0.192 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2CO)o1 ZINC000047496289 172048129 /nfs/dbraw/zinc/04/81/29/172048129.db2.gz YXZGQTHJKGRIIP-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@H+]2CCCC[C@H]2CO)o1 ZINC000047496289 172048131 /nfs/dbraw/zinc/04/81/31/172048131.db2.gz YXZGQTHJKGRIIP-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C)c1C[N@@H+]1CCO[C@H](CO)C1 ZINC000268159711 172077290 /nfs/dbraw/zinc/07/72/90/172077290.db2.gz OIHSISZKXQJTRD-JTQLQIEISA-N 1 2 240.303 0.739 20 0 BCADLO CCc1noc(C)c1C[N@H+]1CCO[C@H](CO)C1 ZINC000268159711 172077293 /nfs/dbraw/zinc/07/72/93/172077293.db2.gz OIHSISZKXQJTRD-JTQLQIEISA-N 1 2 240.303 0.739 20 0 BCADLO CCc1noc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000294172313 172087708 /nfs/dbraw/zinc/08/77/08/172087708.db2.gz IZDBFMPSLQBACI-UHFFFAOYSA-N 1 2 236.235 0.677 20 0 BCADLO CCc1noc([C@@H](C)[N@H+](C)CCC(=O)NC)n1 ZINC000170793117 172089241 /nfs/dbraw/zinc/08/92/41/172089241.db2.gz DTLCWUWOGYYVEY-MRVPVSSYSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+](C)CCC(=O)NC)n1 ZINC000170793117 172089244 /nfs/dbraw/zinc/08/92/44/172089244.db2.gz DTLCWUWOGYYVEY-MRVPVSSYSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1nocc1C[N@H+](C)CC(=O)NC1CC1 ZINC000293484661 172092965 /nfs/dbraw/zinc/09/29/65/172092965.db2.gz SGJQDJDKWLTDOQ-UHFFFAOYSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000293484661 172092967 /nfs/dbraw/zinc/09/29/67/172092967.db2.gz SGJQDJDKWLTDOQ-UHFFFAOYSA-N 1 2 237.303 0.947 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000359126129 172154880 /nfs/dbraw/zinc/15/48/80/172154880.db2.gz WGWRIGJJCALVDU-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000359126129 172154883 /nfs/dbraw/zinc/15/48/83/172154883.db2.gz WGWRIGJJCALVDU-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CCn1cc(CC[NH2+][C@@]2(C)CCOC2=O)cn1 ZINC000289432810 172160303 /nfs/dbraw/zinc/16/03/03/172160303.db2.gz DBMGQJXEWCXUQC-LBPRGKRZSA-N 1 2 237.303 0.741 20 0 BCADLO CCn1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000091864253 172164375 /nfs/dbraw/zinc/16/43/75/172164375.db2.gz XILMOXSSOZBFBQ-NSHDSACASA-N 1 2 249.318 0.112 20 0 BCADLO CCn1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000091864253 172164378 /nfs/dbraw/zinc/16/43/78/172164378.db2.gz XILMOXSSOZBFBQ-NSHDSACASA-N 1 2 249.318 0.112 20 0 BCADLO CCn1cc(C[NH+]2CCN(C(C)=O)CC2)cn1 ZINC000157839369 172165402 /nfs/dbraw/zinc/16/54/02/172165402.db2.gz DGBBDVPFTPSNDA-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000035781307 172184099 /nfs/dbraw/zinc/18/40/99/172184099.db2.gz FHFPYWWIDBOFGB-MRVPVSSYSA-N 1 2 226.305 0.504 20 0 BCADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)cn1 ZINC000331094319 172193946 /nfs/dbraw/zinc/19/39/46/172193946.db2.gz ZBECFKJPAHPOQL-RKDXNWHRSA-N 1 2 249.322 0.838 20 0 BCADLO CCn1ccnc(N(C)Cc2[nH]cc[nH+]2)c1=O ZINC000358471973 172210710 /nfs/dbraw/zinc/21/07/10/172210710.db2.gz RAQXNKGCXVCRAM-UHFFFAOYSA-N 1 2 233.275 0.623 20 0 BCADLO CCn1ccnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000292122051 172214710 /nfs/dbraw/zinc/21/47/10/172214710.db2.gz RMHXIRRBXPKXKZ-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO CCn1cc[nH+]c1CN(C)[C@@H]1CCNC1=O ZINC000340221864 172219780 /nfs/dbraw/zinc/21/97/80/172219780.db2.gz RTKDZXFUEPTIPK-SECBINFHSA-N 1 2 222.292 0.223 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000332608945 172221090 /nfs/dbraw/zinc/22/10/90/172221090.db2.gz BFWDFJMNCWUPIH-VIFPVBQESA-N 1 2 237.307 0.146 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000332608945 172221093 /nfs/dbraw/zinc/22/10/93/172221093.db2.gz BFWDFJMNCWUPIH-VIFPVBQESA-N 1 2 237.307 0.146 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nonc1C ZINC000295753384 172221665 /nfs/dbraw/zinc/22/16/65/172221665.db2.gz NPHXSHHOANPKRA-UHFFFAOYSA-N 1 2 235.247 0.524 20 0 BCADLO CCn1cnnc1NC(=O)CCn1cc[nH+]c1 ZINC000356182861 172238667 /nfs/dbraw/zinc/23/86/67/172238667.db2.gz ZFYMRCOYGSIWLY-UHFFFAOYSA-N 1 2 234.263 0.523 20 0 BCADLO CCn1ncc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000294590534 172253009 /nfs/dbraw/zinc/25/30/09/172253009.db2.gz GTWFEVUVQSDBHT-UHFFFAOYSA-N 1 2 246.274 0.151 20 0 BCADLO CCn1ncc(C(=O)Nc2c[nH+]ccc2OC)n1 ZINC000293315347 172253837 /nfs/dbraw/zinc/25/38/37/172253837.db2.gz FSRBGGPMXJDUGK-UHFFFAOYSA-N 1 2 247.258 0.954 20 0 BCADLO CCn1nccc1CC[N@@H+](C)[C@H](C)C(=O)OC ZINC000338541496 172259261 /nfs/dbraw/zinc/25/92/61/172259261.db2.gz WKVXUZVMLUCHAU-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCn1nccc1CC[N@H+](C)[C@H](C)C(=O)OC ZINC000338541496 172259258 /nfs/dbraw/zinc/25/92/58/172259258.db2.gz WKVXUZVMLUCHAU-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCn1nccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000157850095 172266843 /nfs/dbraw/zinc/26/68/43/172266843.db2.gz LPHIRRBDEKTPIZ-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368520509 172279205 /nfs/dbraw/zinc/27/92/05/172279205.db2.gz WAWXFCDPPBSSQR-WDEREUQCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368520509 172279206 /nfs/dbraw/zinc/27/92/06/172279206.db2.gz WAWXFCDPPBSSQR-WDEREUQCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nncc1C(=O)NCCCn1cc[nH+]c1 ZINC000292760800 172289657 /nfs/dbraw/zinc/28/96/57/172289657.db2.gz SIAAFSZORHRDSK-UHFFFAOYSA-N 1 2 248.290 0.315 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000362565248 172309995 /nfs/dbraw/zinc/30/99/95/172309995.db2.gz SIWABBDKFLBCBT-GFCCVEGCSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000362565248 172309996 /nfs/dbraw/zinc/30/99/96/172309996.db2.gz SIWABBDKFLBCBT-GFCCVEGCSA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000339370577 172320978 /nfs/dbraw/zinc/32/09/78/172320978.db2.gz CTBFWGMBYKMRPF-UHFFFAOYSA-N 1 2 227.308 0.122 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)CCn1cc[nH+]c1 ZINC000674814006 487624448 /nfs/dbraw/zinc/62/44/48/487624448.db2.gz BANMEIZZUQLDRV-NSHDSACASA-N 1 2 237.303 0.503 20 0 BCADLO CN(C(=O)[C@H]1CSC[NH2+]1)c1cnn(C)c1 ZINC000262677726 172334394 /nfs/dbraw/zinc/33/43/94/172334394.db2.gz RQZDGFQRCPMGCJ-MRVPVSSYSA-N 1 2 226.305 0.045 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCn2nccc21 ZINC000671590524 487624486 /nfs/dbraw/zinc/62/44/86/487624486.db2.gz YWXCJFMDWZZSCR-UHFFFAOYSA-N 1 2 245.286 0.907 20 0 BCADLO CN(C)C(=O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301787798 172372620 /nfs/dbraw/zinc/37/26/20/172372620.db2.gz POIYRLIALPEHMC-UHFFFAOYSA-N 1 2 245.286 0.712 20 0 BCADLO CN(C)C(=O)COC1C[NH+](Cc2ccccc2)C1 ZINC000361384613 172372654 /nfs/dbraw/zinc/37/26/54/172372654.db2.gz LFMOMFAXAVMMPM-UHFFFAOYSA-N 1 2 248.326 0.976 20 0 BCADLO CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000041292158 172375014 /nfs/dbraw/zinc/37/50/14/172375014.db2.gz VVUAECWDUCGJQJ-UHFFFAOYSA-N 1 2 203.245 0.965 20 0 BCADLO CN(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000335818683 172377178 /nfs/dbraw/zinc/37/71/78/172377178.db2.gz TYIDVYGNVQCHAY-UHFFFAOYSA-N 1 2 242.323 0.599 20 0 BCADLO C[NH+](C)C1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340763418 172407118 /nfs/dbraw/zinc/40/71/18/172407118.db2.gz KJMSWAIAZGCDEO-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO CN(CC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000121757009 172629540 /nfs/dbraw/zinc/62/95/40/172629540.db2.gz DSKKDRAUDMEKII-UHFFFAOYSA-N 1 2 221.182 0.904 20 0 BCADLO CN(CCCn1cc[nH+]c1)c1nccn(C)c1=O ZINC000268957800 172722987 /nfs/dbraw/zinc/72/29/87/172722987.db2.gz KIPUWAVBXLBYJU-UHFFFAOYSA-N 1 2 247.302 0.503 20 0 BCADLO CN1CC(=O)NC12CCN(c1cccc[nH+]1)CC2 ZINC000298767517 172975826 /nfs/dbraw/zinc/97/58/26/172975826.db2.gz CDQWUJSKGBGNOL-UHFFFAOYSA-N 1 2 246.314 0.440 20 0 BCADLO C[NH+]1CCN(C(=O)CSc2ncco2)CC1 ZINC000336587823 173066731 /nfs/dbraw/zinc/06/67/31/173066731.db2.gz BXDNFUIXMKIIPF-UHFFFAOYSA-N 1 2 241.316 0.541 20 0 BCADLO Cn1cc(Cl)c(C(=O)N2CC[NH+](C)CC2)n1 ZINC000035670831 173073294 /nfs/dbraw/zinc/07/32/94/173073294.db2.gz XZYQAEVIIVMGAB-UHFFFAOYSA-N 1 2 242.710 0.461 20 0 BCADLO C[NH+]1CCN(C(=O)c2cscn2)CC1 ZINC000041503767 173073367 /nfs/dbraw/zinc/07/33/67/173073367.db2.gz FEPUTXSILCRFFL-UHFFFAOYSA-N 1 2 211.290 0.531 20 0 BCADLO C[NH+]1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000299107675 173073712 /nfs/dbraw/zinc/07/37/12/173073712.db2.gz IYDOVUNQODGXCZ-UHFFFAOYSA-N 1 2 249.314 0.941 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnc(F)c2F)CC1 ZINC000097864799 173074487 /nfs/dbraw/zinc/07/44/87/173074487.db2.gz OIIICZMUJPLADO-UHFFFAOYSA-N 1 2 241.241 0.747 20 0 BCADLO CN1CC[N@H+](CC[C@@H](O)c2ccccc2)CC1=O ZINC000286364283 173083857 /nfs/dbraw/zinc/08/38/57/173083857.db2.gz JQACLKQTGYBBQU-CYBMUJFWSA-N 1 2 248.326 0.884 20 0 BCADLO CN1CC[N@@H+](CC[C@@H](O)c2ccccc2)CC1=O ZINC000286364283 173083859 /nfs/dbraw/zinc/08/38/59/173083859.db2.gz JQACLKQTGYBBQU-CYBMUJFWSA-N 1 2 248.326 0.884 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000112799776 173092553 /nfs/dbraw/zinc/09/25/53/173092553.db2.gz PCDIJDDILXPCTI-UHFFFAOYSA-N 1 2 246.376 0.896 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000081932556 173099707 /nfs/dbraw/zinc/09/97/07/173099707.db2.gz LVNWMXJPLNPDPQ-LLVKDONJSA-N 1 2 236.271 0.661 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000081932556 173099710 /nfs/dbraw/zinc/09/97/10/173099710.db2.gz LVNWMXJPLNPDPQ-LLVKDONJSA-N 1 2 236.271 0.661 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccnc2)C1 ZINC000163780718 173100284 /nfs/dbraw/zinc/10/02/84/173100284.db2.gz YJUFZOGXDOOEEJ-SNVBAGLBSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccnc2)C1 ZINC000163780718 173100288 /nfs/dbraw/zinc/10/02/88/173100288.db2.gz YJUFZOGXDOOEEJ-SNVBAGLBSA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C2CC2)C1 ZINC000369935917 173101274 /nfs/dbraw/zinc/10/12/74/173101274.db2.gz OICHGKUACXFXQW-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C2CC2)C1 ZINC000369935917 173101276 /nfs/dbraw/zinc/10/12/76/173101276.db2.gz OICHGKUACXFXQW-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ccc(F)cn2)C1 ZINC000085791131 173103239 /nfs/dbraw/zinc/10/32/39/173103239.db2.gz OWTWJSLGWQXRDW-JTQLQIEISA-N 1 2 225.267 0.963 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ccc(F)cn2)C1 ZINC000085791131 173103241 /nfs/dbraw/zinc/10/32/41/173103241.db2.gz OWTWJSLGWQXRDW-JTQLQIEISA-N 1 2 225.267 0.963 20 0 BCADLO C[N@@H+]1CCO[C@H](CNc2ncnc3c2CCC3)C1 ZINC000069416265 173109102 /nfs/dbraw/zinc/10/91/02/173109102.db2.gz ZNGMTLYCMZOVEM-SNVBAGLBSA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCO[C@H](CNc2ncnc3c2CCC3)C1 ZINC000069416265 173109106 /nfs/dbraw/zinc/10/91/06/173109106.db2.gz ZNGMTLYCMZOVEM-SNVBAGLBSA-N 1 2 248.330 0.708 20 0 BCADLO CN1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328639187 173148199 /nfs/dbraw/zinc/14/81/99/173148199.db2.gz DPTWBWDDXQWWCL-IUCAKERBSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328639187 173148201 /nfs/dbraw/zinc/14/82/01/173148201.db2.gz DPTWBWDDXQWWCL-IUCAKERBSA-N 1 2 225.292 0.268 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000172017916 173148645 /nfs/dbraw/zinc/14/86/45/173148645.db2.gz IDZISTQIXDFDDV-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000172017916 173148647 /nfs/dbraw/zinc/14/86/47/173148647.db2.gz IDZISTQIXDFDDV-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000336386655 173150243 /nfs/dbraw/zinc/15/02/43/173150243.db2.gz PTEAUDOAILAOAN-GXSJLCMTSA-N 1 2 230.283 0.014 20 0 BCADLO CN1CC[C@H]([N@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000336386655 173150245 /nfs/dbraw/zinc/15/02/45/173150245.db2.gz PTEAUDOAILAOAN-GXSJLCMTSA-N 1 2 230.283 0.014 20 0 BCADLO CN1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CC1=O ZINC000264544346 173187838 /nfs/dbraw/zinc/18/78/38/173187838.db2.gz IRNBAQCCNUSKDE-ZETCQYMHSA-N 1 2 246.274 0.006 20 0 BCADLO CNC(=O)C1CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000341544447 173227013 /nfs/dbraw/zinc/22/70/13/173227013.db2.gz JNVCUKJBXYASTK-UHFFFAOYSA-N 1 2 245.286 0.449 20 0 BCADLO CNC(=O)C1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302219054 173227698 /nfs/dbraw/zinc/22/76/98/173227698.db2.gz RAEKCTXUTCZXDG-UHFFFAOYSA-N 1 2 234.303 0.782 20 0 BCADLO CNC(=O)CCCNc1nc[nH+]c(N)c1Cl ZINC000277372227 173243584 /nfs/dbraw/zinc/24/35/84/173243584.db2.gz HRXDNOJPZLVLAX-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO CNC(=O)CCCNc1[nH+]cnc(N)c1Cl ZINC000277372227 173243587 /nfs/dbraw/zinc/24/35/87/173243587.db2.gz HRXDNOJPZLVLAX-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1ncnn1C(C)C ZINC000331253769 173250675 /nfs/dbraw/zinc/25/06/75/173250675.db2.gz VWDYYDYQGRRXGU-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1ncnn1C(C)C ZINC000331253769 173250681 /nfs/dbraw/zinc/25/06/81/173250681.db2.gz VWDYYDYQGRRXGU-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000330550458 173269830 /nfs/dbraw/zinc/26/98/30/173269830.db2.gz XDCWJWVZLWYQAQ-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000330550458 173269833 /nfs/dbraw/zinc/26/98/33/173269833.db2.gz XDCWJWVZLWYQAQ-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000371584056 173273857 /nfs/dbraw/zinc/27/38/57/173273857.db2.gz PVYCCOBLWMFTQQ-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000371584056 173273858 /nfs/dbraw/zinc/27/38/58/173273858.db2.gz PVYCCOBLWMFTQQ-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290094920 173274948 /nfs/dbraw/zinc/27/49/48/173274948.db2.gz ZTHOTLTXCBZQJR-VIFPVBQESA-N 1 2 242.710 0.529 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290094920 173274949 /nfs/dbraw/zinc/27/49/49/173274949.db2.gz ZTHOTLTXCBZQJR-VIFPVBQESA-N 1 2 242.710 0.529 20 0 BCADLO CNC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000298377195 173278166 /nfs/dbraw/zinc/27/81/66/173278166.db2.gz VKINGNVSKZTJGB-ZCFIWIBFSA-N 1 2 229.230 0.756 20 0 BCADLO CNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000356513631 173278414 /nfs/dbraw/zinc/27/84/14/173278414.db2.gz IXBBJHQRJIRLOH-SSDOTTSWSA-N 1 2 240.307 0.764 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336648000 173281859 /nfs/dbraw/zinc/28/18/59/173281859.db2.gz GCUYIDMHXCAUKU-LURJTMIESA-N 1 2 206.236 0.898 20 0 BCADLO CNC(=O)C[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000298401967 173282124 /nfs/dbraw/zinc/28/21/24/173282124.db2.gz JWVATWLEPSFDAK-ZETCQYMHSA-N 1 2 210.281 0.332 20 0 BCADLO CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000332421458 173285531 /nfs/dbraw/zinc/28/55/31/173285531.db2.gz SGQZRJMOQOFSNB-MRVPVSSYSA-N 1 2 208.265 0.549 20 0 BCADLO CNC(=O)NC(=O)C[N@H+](C)Cc1occc1C ZINC000292324479 173286077 /nfs/dbraw/zinc/28/60/77/173286077.db2.gz OEVUMYCYMFVHTE-UHFFFAOYSA-N 1 2 239.275 0.475 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1occc1C ZINC000292324479 173286078 /nfs/dbraw/zinc/28/60/78/173286078.db2.gz OEVUMYCYMFVHTE-UHFFFAOYSA-N 1 2 239.275 0.475 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000016381034 173288285 /nfs/dbraw/zinc/28/82/85/173288285.db2.gz RSSKEXKQXWWXOI-QMMMGPOBSA-N 1 2 239.275 0.556 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000016381034 173288286 /nfs/dbraw/zinc/28/82/86/173288286.db2.gz RSSKEXKQXWWXOI-QMMMGPOBSA-N 1 2 239.275 0.556 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)c1cccn1C ZINC000050154540 173298660 /nfs/dbraw/zinc/29/86/60/173298660.db2.gz BTNWXDLKHJDPIT-NSHDSACASA-N 1 2 249.314 0.418 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)c1cccn1C ZINC000050154540 173298661 /nfs/dbraw/zinc/29/86/61/173298661.db2.gz BTNWXDLKHJDPIT-NSHDSACASA-N 1 2 249.314 0.418 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]ncc1C ZINC000284258186 173298845 /nfs/dbraw/zinc/29/88/45/173298845.db2.gz RSQVZLLOXKHFNB-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]ncc1C ZINC000284258186 173298846 /nfs/dbraw/zinc/29/88/46/173298846.db2.gz RSQVZLLOXKHFNB-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1n[nH]cc1C ZINC000284258186 173298847 /nfs/dbraw/zinc/29/88/47/173298847.db2.gz RSQVZLLOXKHFNB-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1n[nH]cc1C ZINC000284258186 173298848 /nfs/dbraw/zinc/29/88/48/173298848.db2.gz RSQVZLLOXKHFNB-JTQLQIEISA-N 1 2 222.292 0.429 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccn1 ZINC000112561397 173298949 /nfs/dbraw/zinc/29/89/49/173298949.db2.gz PSYZFBGEXXBPKU-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)ccn1 ZINC000112561397 173298950 /nfs/dbraw/zinc/29/89/50/173298950.db2.gz PSYZFBGEXXBPKU-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1cc(OC)cc[nH+]1 ZINC000112561397 173298951 /nfs/dbraw/zinc/29/89/51/173298951.db2.gz PSYZFBGEXXBPKU-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000309479760 173299679 /nfs/dbraw/zinc/29/96/79/173299679.db2.gz STYBHMCEOBUGBN-IWSPIJDZSA-N 1 2 228.292 0.052 20 0 BCADLO CNC(=O)[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000302158021 173304806 /nfs/dbraw/zinc/30/48/06/173304806.db2.gz OGIPKSYZADQEDJ-QMMMGPOBSA-N 1 2 238.291 0.119 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000125026757 173305105 /nfs/dbraw/zinc/30/51/05/173305105.db2.gz HNLCDMYRSKVQBK-SECBINFHSA-N 1 2 210.281 0.270 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)ncn1 ZINC000292588626 173306211 /nfs/dbraw/zinc/30/62/11/173306211.db2.gz UWJLCEMWAGMZOQ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)ncn1 ZINC000292588626 173306212 /nfs/dbraw/zinc/30/62/12/173306212.db2.gz UWJLCEMWAGMZOQ-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000267217424 173306888 /nfs/dbraw/zinc/30/68/88/173306888.db2.gz NAHJVLFVQDSRMU-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)nc1 ZINC000267217424 173306889 /nfs/dbraw/zinc/30/68/89/173306889.db2.gz NAHJVLFVQDSRMU-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000092099302 173307309 /nfs/dbraw/zinc/30/73/09/173307309.db2.gz CEQUEFLUYUVGCA-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1C ZINC000092099302 173307310 /nfs/dbraw/zinc/30/73/10/173307310.db2.gz CEQUEFLUYUVGCA-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000331183291 173308155 /nfs/dbraw/zinc/30/81/55/173308155.db2.gz MIVHTCKOZFRVHS-DTWKUNHWSA-N 1 2 238.291 0.382 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000359628659 173308481 /nfs/dbraw/zinc/30/84/81/173308481.db2.gz AVKOGIIJNAQPNC-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000359628659 173308482 /nfs/dbraw/zinc/30/84/82/173308482.db2.gz AVKOGIIJNAQPNC-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCCOC1 ZINC000407947826 487626891 /nfs/dbraw/zinc/62/68/91/487626891.db2.gz FZGMVUUHBLXZQT-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCCOC1 ZINC000407947826 487626894 /nfs/dbraw/zinc/62/68/94/487626894.db2.gz FZGMVUUHBLXZQT-SECBINFHSA-N 1 2 210.281 0.663 20 0 BCADLO COC(=O)N1CC(Nc2cc[nH+]c(C)n2)C1 ZINC000301796886 173652229 /nfs/dbraw/zinc/65/22/29/173652229.db2.gz YZKXFMOSINBACN-UHFFFAOYSA-N 1 2 222.248 0.648 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000354336583 173667504 /nfs/dbraw/zinc/66/75/04/173667504.db2.gz XRWJFFSCCVPKQJ-ZETCQYMHSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)[C@H]([NH2+]CCNC(=O)C(C)C)C1CC1 ZINC000358823249 173804403 /nfs/dbraw/zinc/80/44/03/173804403.db2.gz VTAVCGSLHVZCRM-SNVBAGLBSA-N 1 2 242.319 0.300 20 0 BCADLO COC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000358119031 174031657 /nfs/dbraw/zinc/03/16/57/174031657.db2.gz VSYPKUHJSDLOEE-UHFFFAOYSA-N 1 2 209.249 0.130 20 0 BCADLO COC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000332004068 174032848 /nfs/dbraw/zinc/03/28/48/174032848.db2.gz QJFOIFGIZQGHMX-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO COC1C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307935518 174034541 /nfs/dbraw/zinc/03/45/41/174034541.db2.gz KWYSDSGQWQIBFS-LURJTMIESA-N 1 2 213.199 0.630 20 0 BCADLO COC1C[NH+](C[C@H](O)COC(C)C)C1 ZINC000308412498 174035320 /nfs/dbraw/zinc/03/53/20/174035320.db2.gz HYGGLLOUUBQFAA-VIFPVBQESA-N 1 2 203.282 0.103 20 0 BCADLO COC1CN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000358212388 174036222 /nfs/dbraw/zinc/03/62/22/174036222.db2.gz OFAQPBGCRUSGRG-UHFFFAOYSA-N 1 2 234.303 0.300 20 0 BCADLO COC1CN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000358212388 174036225 /nfs/dbraw/zinc/03/62/25/174036225.db2.gz OFAQPBGCRUSGRG-UHFFFAOYSA-N 1 2 234.303 0.300 20 0 BCADLO COCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000044895347 174051944 /nfs/dbraw/zinc/05/19/44/174051944.db2.gz WRJRGAXKPIIAOR-UHFFFAOYSA-N 1 2 246.270 0.530 20 0 BCADLO COCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000071435445 174052234 /nfs/dbraw/zinc/05/22/34/174052234.db2.gz KEMODOHTVTUBND-UHFFFAOYSA-N 1 2 233.271 0.905 20 0 BCADLO COCC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377418776 174061311 /nfs/dbraw/zinc/06/13/11/174061311.db2.gz IMRRNWICAWDRCG-UHFFFAOYSA-N 1 2 233.231 0.247 20 0 BCADLO COCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000119493567 174065940 /nfs/dbraw/zinc/06/59/40/174065940.db2.gz LWGBIIVAHMJNPN-UHFFFAOYSA-N 1 2 225.292 0.672 20 0 BCADLO COCC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000331984544 174088005 /nfs/dbraw/zinc/08/80/05/174088005.db2.gz YBTXMPVVYVWYAM-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO COCC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000331992448 174088416 /nfs/dbraw/zinc/08/84/16/174088416.db2.gz ZAENQLQAUOJCEK-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO COCC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000331992448 174088417 /nfs/dbraw/zinc/08/84/17/174088417.db2.gz ZAENQLQAUOJCEK-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO COCC1(C[N@@H+]2CCn3ncnc3C2)CCC1 ZINC000361336051 174100146 /nfs/dbraw/zinc/10/01/46/174100146.db2.gz OMJHUTFGMLSURE-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COCC1(C[N@H+]2CCn3ncnc3C2)CCC1 ZINC000361336051 174100148 /nfs/dbraw/zinc/10/01/48/174100148.db2.gz OMJHUTFGMLSURE-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COCC1(O)C[NH+](Cc2ccccc2OC)C1 ZINC000297457696 174112978 /nfs/dbraw/zinc/11/29/78/174112978.db2.gz RGHPKDSJAAGSGN-UHFFFAOYSA-N 1 2 237.299 0.888 20 0 BCADLO COCC1(O)C[NH+](Cc2ccncc2C)C1 ZINC000297397372 174113823 /nfs/dbraw/zinc/11/38/23/174113823.db2.gz BWCWAOXAIGNFPS-UHFFFAOYSA-N 1 2 222.288 0.583 20 0 BCADLO COCC1=CC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000274952918 174116694 /nfs/dbraw/zinc/11/66/94/174116694.db2.gz HFOPUDKLHRNDJV-UHFFFAOYSA-N 1 2 249.318 0.787 20 0 BCADLO COCC1=CC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000274952918 174116696 /nfs/dbraw/zinc/11/66/96/174116696.db2.gz HFOPUDKLHRNDJV-UHFFFAOYSA-N 1 2 249.318 0.787 20 0 BCADLO COCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000263929809 174121737 /nfs/dbraw/zinc/12/17/37/174121737.db2.gz SSDHVKIVBYFWHD-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO COCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000263858086 174132457 /nfs/dbraw/zinc/13/24/57/174132457.db2.gz HFYGOVCJAHEORC-UHFFFAOYSA-N 1 2 237.303 0.800 20 0 BCADLO COCCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000368925468 174132825 /nfs/dbraw/zinc/13/28/25/174132825.db2.gz JNUGNYSHVSLPML-SNVBAGLBSA-N 1 2 237.303 0.659 20 0 BCADLO COCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290939050 174162149 /nfs/dbraw/zinc/16/21/49/174162149.db2.gz ODARZGDNOBOCCX-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO COCCCNC(=O)CCn1cc[nH+]c1 ZINC000299640317 174237894 /nfs/dbraw/zinc/23/78/94/174237894.db2.gz LTAKSMWHBMUTBK-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO COCCCNC(=O)NCCn1cc[nH+]c1 ZINC000298615974 174241491 /nfs/dbraw/zinc/24/14/91/174241491.db2.gz LUGBPBNXVPITMM-UHFFFAOYSA-N 1 2 226.280 0.219 20 0 BCADLO COCCCOCC[N@H+](C)Cc1cnnn1C ZINC000354814706 174254822 /nfs/dbraw/zinc/25/48/22/174254822.db2.gz ZPHYNQAIOIGFDX-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1cnnn1C ZINC000354814706 174254823 /nfs/dbraw/zinc/25/48/23/174254823.db2.gz ZPHYNQAIOIGFDX-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCONC(=O)NCCn1cc[nH+]c1 ZINC000285142475 174255488 /nfs/dbraw/zinc/25/54/88/174255488.db2.gz RHQBLBWDJVHLAV-UHFFFAOYSA-N 1 2 242.279 0.150 20 0 BCADLO COCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049269158 174271029 /nfs/dbraw/zinc/27/10/29/174271029.db2.gz NCRODUATYCMGDU-JTQLQIEISA-N 1 2 240.307 0.559 20 0 BCADLO COCC[N@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000042340811 174275649 /nfs/dbraw/zinc/27/56/49/174275649.db2.gz OPDGZWKIRCIKTC-LBPRGKRZSA-N 1 2 244.335 0.294 20 0 BCADLO COCC[N@@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000042340811 174275651 /nfs/dbraw/zinc/27/56/51/174275651.db2.gz OPDGZWKIRCIKTC-LBPRGKRZSA-N 1 2 244.335 0.294 20 0 BCADLO COCC[N@H+](C)Cc1nccnc1OC ZINC000294558108 174281457 /nfs/dbraw/zinc/28/14/57/174281457.db2.gz LUZGPSGANXXJHX-UHFFFAOYSA-N 1 2 211.265 0.563 20 0 BCADLO COCC[N@@H+](C)Cc1nccnc1OC ZINC000294558108 174281458 /nfs/dbraw/zinc/28/14/58/174281458.db2.gz LUZGPSGANXXJHX-UHFFFAOYSA-N 1 2 211.265 0.563 20 0 BCADLO COCC[N@H+](CCO)Cc1c(Cl)cnn1C ZINC000187157618 174292817 /nfs/dbraw/zinc/29/28/17/174292817.db2.gz NTAVFJDHCTXDTP-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COCC[N@@H+](CCO)Cc1c(Cl)cnn1C ZINC000187157618 174292820 /nfs/dbraw/zinc/29/28/20/174292820.db2.gz NTAVFJDHCTXDTP-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COCC[N@H+](Cc1c[nH]cn1)[C@@H]1CCOC1 ZINC000361341775 174300802 /nfs/dbraw/zinc/30/08/02/174300802.db2.gz QZACHEVVWQEHTQ-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[N@@H+](Cc1c[nH]cn1)[C@@H]1CCOC1 ZINC000361341775 174300804 /nfs/dbraw/zinc/30/08/04/174300804.db2.gz QZACHEVVWQEHTQ-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO COCC[N@H+](Cc1cccnc1)[C@H](C)C(N)=O ZINC000116399480 174300905 /nfs/dbraw/zinc/30/09/05/174300905.db2.gz NFEMPDXWCGWCQR-SNVBAGLBSA-N 1 2 237.303 0.404 20 0 BCADLO COCC[N@@H+](Cc1cccnc1)[C@H](C)C(N)=O ZINC000116399480 174300906 /nfs/dbraw/zinc/30/09/06/174300906.db2.gz NFEMPDXWCGWCQR-SNVBAGLBSA-N 1 2 237.303 0.404 20 0 BCADLO COCCN(Cc1c[nH+]c[nH]1)Cc1ccnn1C ZINC000361324115 174301017 /nfs/dbraw/zinc/30/10/17/174301017.db2.gz GGUNRZWYBGAGNW-UHFFFAOYSA-N 1 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COCC[N@@H+](Cc1nnnn1C(C)C)C1CC1 ZINC000336700605 174302478 /nfs/dbraw/zinc/30/24/78/174302478.db2.gz LHTCPXMDLQOIAA-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO COCC[N@@H+](Cc1nnnn1C)CC(C)C ZINC000356033116 174302480 /nfs/dbraw/zinc/30/24/80/174302480.db2.gz HSZRYSZEQGENNK-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO COCC[N@H+](Cc1nnnn1C)CC(C)C ZINC000356033116 174302481 /nfs/dbraw/zinc/30/24/81/174302481.db2.gz HSZRYSZEQGENNK-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO COCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121669239 174305413 /nfs/dbraw/zinc/30/54/13/174305413.db2.gz GPRWWUGXAFVWIM-SECBINFHSA-N 1 2 210.281 0.978 20 0 BCADLO COCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121669239 174305415 /nfs/dbraw/zinc/30/54/15/174305415.db2.gz GPRWWUGXAFVWIM-SECBINFHSA-N 1 2 210.281 0.978 20 0 BCADLO COCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121669393 174306044 /nfs/dbraw/zinc/30/60/44/174306044.db2.gz GPRWWUGXAFVWIM-VIFPVBQESA-N 1 2 210.281 0.978 20 0 BCADLO COCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121669393 174306045 /nfs/dbraw/zinc/30/60/45/174306045.db2.gz GPRWWUGXAFVWIM-VIFPVBQESA-N 1 2 210.281 0.978 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(C)(C)OC)CC1 ZINC000341370740 174308636 /nfs/dbraw/zinc/30/86/36/174308636.db2.gz VPBPJBCLOLRHOU-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCC[N@@H+]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000336674741 174315160 /nfs/dbraw/zinc/31/51/60/174315160.db2.gz AYOCVTICPPXPOZ-VIFPVBQESA-N 1 2 242.348 0.401 20 0 BCADLO COCC[N@H+]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000336674741 174315161 /nfs/dbraw/zinc/31/51/61/174315161.db2.gz AYOCVTICPPXPOZ-VIFPVBQESA-N 1 2 242.348 0.401 20 0 BCADLO COCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000306752083 174315433 /nfs/dbraw/zinc/31/54/33/174315433.db2.gz IKNXPSJAQISTSH-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO COCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000306752083 174315434 /nfs/dbraw/zinc/31/54/34/174315434.db2.gz IKNXPSJAQISTSH-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO COCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000307106681 174317518 /nfs/dbraw/zinc/31/75/18/174317518.db2.gz FAXPFAFJTHIENI-RKDXNWHRSA-N 1 2 205.323 0.474 20 0 BCADLO COCCOC(=O)CSCc1c[nH+]cn1C ZINC000278403805 174343736 /nfs/dbraw/zinc/34/37/36/174343736.db2.gz UTKHZCREPGGQFJ-UHFFFAOYSA-N 1 2 244.316 0.843 20 0 BCADLO COCCOC1CC[NH+](CC(=O)OC)CC1 ZINC000116994413 174343740 /nfs/dbraw/zinc/34/37/40/174343740.db2.gz OPCZZXMPJITBHJ-UHFFFAOYSA-N 1 2 231.292 0.287 20 0 BCADLO COCCOCC[N@@H+](C)Cc1[nH]ncc1C ZINC000356317071 174351638 /nfs/dbraw/zinc/35/16/38/174351638.db2.gz KCDKUAZUHUXVJV-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@H+](C)Cc1n[nH]cc1C ZINC000356317071 174351640 /nfs/dbraw/zinc/35/16/40/174351640.db2.gz KCDKUAZUHUXVJV-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@@H+](C)Cc1n[nH]cc1C ZINC000356317071 174351642 /nfs/dbraw/zinc/35/16/42/174351642.db2.gz KCDKUAZUHUXVJV-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCCOCC[N@H+](C)Cc1ncc[nH]1 ZINC000276424054 174351836 /nfs/dbraw/zinc/35/18/36/174351836.db2.gz IVQILGCVCHQDFX-UHFFFAOYSA-N 1 2 213.281 0.505 20 0 BCADLO COCCOCC[N@@H+](C)Cc1ncc[nH]1 ZINC000276424054 174351838 /nfs/dbraw/zinc/35/18/38/174351838.db2.gz IVQILGCVCHQDFX-UHFFFAOYSA-N 1 2 213.281 0.505 20 0 BCADLO COCCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000352448590 174354867 /nfs/dbraw/zinc/35/48/67/174354867.db2.gz IHRNRLGWVISGTK-MMPTUQATSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000352448590 174354869 /nfs/dbraw/zinc/35/48/69/174354869.db2.gz IHRNRLGWVISGTK-MMPTUQATSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368334369 174355291 /nfs/dbraw/zinc/35/52/91/174355291.db2.gz WCUPMGMJSVBRSR-VHSXEESVSA-N 1 2 201.266 0.123 20 0 BCADLO COCCOCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368334369 174355292 /nfs/dbraw/zinc/35/52/92/174355292.db2.gz WCUPMGMJSVBRSR-VHSXEESVSA-N 1 2 201.266 0.123 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000291574189 174365640 /nfs/dbraw/zinc/36/56/40/174365640.db2.gz OELAVTDIIBXJDS-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000291574189 174365641 /nfs/dbraw/zinc/36/56/41/174365641.db2.gz OELAVTDIIBXJDS-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000110123229 174374161 /nfs/dbraw/zinc/37/41/61/174374161.db2.gz HZLSAYPHOKFKLY-UHFFFAOYSA-N 1 2 216.262 0.470 20 0 BCADLO COCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000279812818 174379120 /nfs/dbraw/zinc/37/91/20/174379120.db2.gz OSTSGWIDGUXGGY-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO COCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264710385 174381363 /nfs/dbraw/zinc/38/13/63/174381363.db2.gz DKKWSSLMGAXGMU-SSDOTTSWSA-N 1 2 211.265 0.873 20 0 BCADLO COCC[C@@H](Nc1cccc[nH+]1)C(N)=O ZINC000309054948 174395623 /nfs/dbraw/zinc/39/56/23/174395623.db2.gz TWOWOLJLVROFIZ-MRVPVSSYSA-N 1 2 209.249 0.384 20 0 BCADLO COC[C@@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000336762869 174480969 /nfs/dbraw/zinc/48/09/69/174480969.db2.gz OFQRKTKBTWJZHO-SECBINFHSA-N 1 2 233.333 0.660 20 0 BCADLO COC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000283205730 174564574 /nfs/dbraw/zinc/56/45/74/174564574.db2.gz RHDJVPCBVADXJZ-FSIBCCDJSA-N 1 2 239.275 0.201 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000285869229 174776787 /nfs/dbraw/zinc/77/67/87/174776787.db2.gz BJVQISANXAUSFG-AOOOYVTPSA-N 1 2 237.303 0.896 20 0 BCADLO COc1cc(NC[C@H]2C[N@H+](C)CCO2)ncn1 ZINC000091673904 175002264 /nfs/dbraw/zinc/00/22/64/175002264.db2.gz UBKWGKARIOWAJR-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC000091673904 175002266 /nfs/dbraw/zinc/00/22/66/175002266.db2.gz UBKWGKARIOWAJR-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)n1 ZINC000373623532 175258708 /nfs/dbraw/zinc/25/87/08/175258708.db2.gz QFQDFSCWZWGMHU-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1cccc(C[N@H+]2CCCN(C)C(=O)C2)n1 ZINC000373623532 175258709 /nfs/dbraw/zinc/25/87/09/175258709.db2.gz QFQDFSCWZWGMHU-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000094272993 175259937 /nfs/dbraw/zinc/25/99/37/175259937.db2.gz BFVHTOFRZCOVEW-CYBMUJFWSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000094272993 175259940 /nfs/dbraw/zinc/25/99/40/175259940.db2.gz BFVHTOFRZCOVEW-CYBMUJFWSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)C2(C)C)c1 ZINC000114898099 175358863 /nfs/dbraw/zinc/35/88/63/175358863.db2.gz WHHKTESDRBRPCE-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]c(CN2CCO[C@H](CO)C2)c1 ZINC000267428746 175358942 /nfs/dbraw/zinc/35/89/42/175358942.db2.gz YIZVDVGLPZABIJ-LBPRGKRZSA-N 1 2 238.287 0.283 20 0 BCADLO COc1cc[nH+]c(CN2CCCNC(=O)[C@H]2C)c1 ZINC000332222322 175359475 /nfs/dbraw/zinc/35/94/75/175359475.db2.gz KUDZRJYNKPIBQQ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000332222322 175359476 /nfs/dbraw/zinc/35/94/76/175359476.db2.gz KUDZRJYNKPIBQQ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000332222322 175359478 /nfs/dbraw/zinc/35/94/78/175359478.db2.gz KUDZRJYNKPIBQQ-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccnc(NCc2[nH+]ccn2C)n1 ZINC000162382618 175366012 /nfs/dbraw/zinc/36/60/12/175366012.db2.gz YXFONHVJWABMLZ-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cnn(C)n1 ZINC000294483966 175371621 /nfs/dbraw/zinc/37/16/21/175371621.db2.gz JJKLGFBVCKTYLF-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H](O)C(C)C ZINC000294637375 175371848 /nfs/dbraw/zinc/37/18/48/175371848.db2.gz PSTIGDOAIIBEME-LLVKDONJSA-N 1 2 238.287 0.723 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cnnn1C ZINC000293436900 175372118 /nfs/dbraw/zinc/37/21/18/175372118.db2.gz SVILYIVMCZFZFV-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCOC1 ZINC000293228748 175372137 /nfs/dbraw/zinc/37/21/37/175372137.db2.gz CPGRZAYAIQMIEU-VIFPVBQESA-N 1 2 236.271 0.743 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCCC1 ZINC000119580843 175375201 /nfs/dbraw/zinc/37/52/01/175375201.db2.gz FIPSQJKXQUMCLS-UHFFFAOYSA-N 1 2 249.270 0.651 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C1CN(C(C)=O)C1 ZINC000188348135 175375827 /nfs/dbraw/zinc/37/58/27/175375827.db2.gz YIVYXCKZXDNKJI-UHFFFAOYSA-N 1 2 249.270 0.507 20 0 BCADLO COc1cnc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000340585148 175380827 /nfs/dbraw/zinc/38/08/27/175380827.db2.gz OQSBUQUDQVHUMC-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1cnc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000340585148 175380829 /nfs/dbraw/zinc/38/08/29/175380829.db2.gz OQSBUQUDQVHUMC-UHFFFAOYSA-N 1 2 233.231 0.138 20 0 BCADLO COc1ncc(C[NH+]2CC(O)(C3CC3)C2)c(C)n1 ZINC000369070196 175398904 /nfs/dbraw/zinc/39/89/04/175398904.db2.gz HHDZWNJYSYXWQT-UHFFFAOYSA-N 1 2 249.314 0.750 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094917 175611927 /nfs/dbraw/zinc/61/19/27/175611927.db2.gz HCIYIOHLDLFZMZ-INTQDDNPSA-N 1 2 224.304 0.517 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094917 175611930 /nfs/dbraw/zinc/61/19/30/175611930.db2.gz HCIYIOHLDLFZMZ-INTQDDNPSA-N 1 2 224.304 0.517 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1nnc2ccccn21 ZINC000172612476 175863353 /nfs/dbraw/zinc/86/33/53/175863353.db2.gz WHYDQZVMMXLEQK-SECBINFHSA-N 1 2 247.302 0.468 20 0 BCADLO C[C@@H](NC(=O)NCCF)[C@H](C)[NH+]1CCOCC1 ZINC000334086686 176011334 /nfs/dbraw/zinc/01/13/34/176011334.db2.gz GHLGVKSCROEWLR-ZJUUUORDSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295146976 176028848 /nfs/dbraw/zinc/02/88/48/176028848.db2.gz ALLWYGCUAYAAIA-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295146976 176028849 /nfs/dbraw/zinc/02/88/49/176028849.db2.gz ALLWYGCUAYAAIA-ZJUUUORDSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000361869030 176040098 /nfs/dbraw/zinc/04/00/98/176040098.db2.gz QPBBLGPTSRUEHA-KHQFGBGNSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000361869030 176040100 /nfs/dbraw/zinc/04/01/00/176040100.db2.gz QPBBLGPTSRUEHA-KHQFGBGNSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCc1cnccn1 ZINC000329955758 176040296 /nfs/dbraw/zinc/04/02/96/176040296.db2.gz OOAXUGOOYQVHDG-VIFPVBQESA-N 1 2 247.306 0.236 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCc1cnccn1 ZINC000329955758 176040298 /nfs/dbraw/zinc/04/02/98/176040298.db2.gz OOAXUGOOYQVHDG-VIFPVBQESA-N 1 2 247.306 0.236 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000193821150 176046015 /nfs/dbraw/zinc/04/60/15/176046015.db2.gz XATCZCATIFOGKJ-ZJUUUORDSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000193821150 176046017 /nfs/dbraw/zinc/04/60/17/176046017.db2.gz XATCZCATIFOGKJ-ZJUUUORDSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364286862 176049999 /nfs/dbraw/zinc/04/99/99/176049999.db2.gz ZFRMJTMQXDEMAB-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)cn1 ZINC000364286862 176050002 /nfs/dbraw/zinc/05/00/02/176050002.db2.gz ZFRMJTMQXDEMAB-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(NC(=O)CCn2cc[nH+]c2)=NO1 ZINC000270831964 176053445 /nfs/dbraw/zinc/05/34/45/176053445.db2.gz KBGKEPRGEZKHDE-MRVPVSSYSA-N 1 2 222.248 0.512 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000194438320 176103078 /nfs/dbraw/zinc/10/30/78/176103078.db2.gz VJBLLGPCHLBMMG-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000194438320 176103079 /nfs/dbraw/zinc/10/30/79/176103079.db2.gz VJBLLGPCHLBMMG-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000264098307 176158809 /nfs/dbraw/zinc/15/88/09/176158809.db2.gz FIIXWWDFLPMMOH-SECBINFHSA-N 1 2 222.292 0.972 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)C[C@H]1O ZINC000306303529 176178080 /nfs/dbraw/zinc/17/80/80/176178080.db2.gz FXZNWSSYBFBLAI-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C[C@H]1O ZINC000306303529 176178081 /nfs/dbraw/zinc/17/80/81/176178081.db2.gz FXZNWSSYBFBLAI-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1CO ZINC000189716869 176182632 /nfs/dbraw/zinc/18/26/32/176182632.db2.gz WNGKLLKZHXRLBP-PSASIEDQSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000275958266 176182636 /nfs/dbraw/zinc/18/26/36/176182636.db2.gz DCEBNGICDYHNRW-SSDOTTSWSA-N 1 2 232.291 0.792 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccon1 ZINC000193656894 176184159 /nfs/dbraw/zinc/18/41/59/176184159.db2.gz UWVRRZTUSSHGEJ-APPZFPTMSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000377260763 176193911 /nfs/dbraw/zinc/19/39/11/176193911.db2.gz ZJOVZLLNEOQAJV-JFGNBEQYSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC[NH2+]1 ZINC000188457472 176255707 /nfs/dbraw/zinc/25/57/07/176255707.db2.gz VMOXKKBJIACMKL-NXEZZACHSA-N 1 2 248.330 0.650 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000369406753 176283598 /nfs/dbraw/zinc/28/35/98/176283598.db2.gz CQXUGQMTEJAYGX-SKDRFNHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000369406753 176283600 /nfs/dbraw/zinc/28/36/00/176283600.db2.gz CQXUGQMTEJAYGX-SKDRFNHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C2CC2)O1 ZINC000336623406 176283648 /nfs/dbraw/zinc/28/36/48/176283648.db2.gz GNQWNHUZYLNFKF-ZYHUDNBSSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C2CC2)O1 ZINC000336623406 176283650 /nfs/dbraw/zinc/28/36/50/176283650.db2.gz GNQWNHUZYLNFKF-ZYHUDNBSSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@@H]1C[N@H+](CC2=CCCOC2)CC(=O)N1C ZINC000282422251 176284087 /nfs/dbraw/zinc/28/40/87/176284087.db2.gz DTJAXRUNTOTGGB-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H]1C[N@@H+](CC2=CCCOC2)CC(=O)N1C ZINC000282422251 176284089 /nfs/dbraw/zinc/28/40/89/176284089.db2.gz DTJAXRUNTOTGGB-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CC2)CC(=O)N1C ZINC000337477482 176291927 /nfs/dbraw/zinc/29/19/27/176291927.db2.gz ZHAZKUXYFLXVNG-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CC2)CC(=O)N1C ZINC000337477482 176291929 /nfs/dbraw/zinc/29/19/29/176291929.db2.gz ZHAZKUXYFLXVNG-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cccnc2)CC(=O)N1C ZINC000282381276 176293541 /nfs/dbraw/zinc/29/35/41/176293541.db2.gz WZOIACJWOHODFU-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cccnc2)CC(=O)N1C ZINC000282381276 176293542 /nfs/dbraw/zinc/29/35/42/176293542.db2.gz WZOIACJWOHODFU-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1CN(CCn2cc[nH+]c2)CC[S@]1=O ZINC000346273882 176296229 /nfs/dbraw/zinc/29/62/29/176296229.db2.gz IWRUDDRRPOXJKL-MEBBXXQBSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC(=O)N1 ZINC000336236508 176297297 /nfs/dbraw/zinc/29/72/97/176297297.db2.gz TWOBWTFJQDLJKG-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC(=O)N1 ZINC000336236508 176297298 /nfs/dbraw/zinc/29/72/98/176297298.db2.gz TWOBWTFJQDLJKG-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC(=O)N1 ZINC000295001955 176304890 /nfs/dbraw/zinc/30/48/90/176304890.db2.gz LKYYLXRYJYBPMZ-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC(=O)N1 ZINC000295001955 176304891 /nfs/dbraw/zinc/30/48/91/176304891.db2.gz LKYYLXRYJYBPMZ-SNVBAGLBSA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)CC(=O)N1C ZINC000282065372 176308138 /nfs/dbraw/zinc/30/81/38/176308138.db2.gz GXRKQGYMIRLLHU-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC(=O)N1C ZINC000282065372 176308140 /nfs/dbraw/zinc/30/81/40/176308140.db2.gz GXRKQGYMIRLLHU-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C2CC2)O1 ZINC000373477380 176310169 /nfs/dbraw/zinc/31/01/69/176310169.db2.gz ZUVVONGBRAUHTH-SKDRFNHKSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C2CC2)O1 ZINC000373477380 176310170 /nfs/dbraw/zinc/31/01/70/176310170.db2.gz ZUVVONGBRAUHTH-SKDRFNHKSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[S@](=O)C1 ZINC000361327653 176310797 /nfs/dbraw/zinc/31/07/97/176310797.db2.gz ZPGDJZAIFMSDKK-PSLIRLAXSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[S@](=O)C1 ZINC000361327653 176310800 /nfs/dbraw/zinc/31/08/00/176310800.db2.gz ZPGDJZAIFMSDKK-PSLIRLAXSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)CC(C)(C)O1 ZINC000119498495 176311085 /nfs/dbraw/zinc/31/10/85/176311085.db2.gz AWSZBWZAJBNGIG-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC(C)(C)O1 ZINC000119498495 176311086 /nfs/dbraw/zinc/31/10/86/176311086.db2.gz AWSZBWZAJBNGIG-SECBINFHSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)CCS1 ZINC000135043820 176311975 /nfs/dbraw/zinc/31/19/75/176311975.db2.gz KPJIGLNMDAFOPI-MRVPVSSYSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)CCS1 ZINC000135043820 176311976 /nfs/dbraw/zinc/31/19/76/176311976.db2.gz KPJIGLNMDAFOPI-MRVPVSSYSA-N 1 2 224.333 0.996 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341114650 176312015 /nfs/dbraw/zinc/31/20/15/176312015.db2.gz CGWLBOIOJHTULO-HTQZYQBOSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341114650 176312017 /nfs/dbraw/zinc/31/20/17/176312017.db2.gz CGWLBOIOJHTULO-HTQZYQBOSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H](C)[NH+]1C ZINC000339615595 176312132 /nfs/dbraw/zinc/31/21/32/176312132.db2.gz LGHPTNBDAQBKHX-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246538416 176317954 /nfs/dbraw/zinc/31/79/54/176317954.db2.gz PZRYRDXTDYCRKN-FOGDFJRCSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246538416 176317955 /nfs/dbraw/zinc/31/79/55/176317955.db2.gz PZRYRDXTDYCRKN-FOGDFJRCSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295146971 176318132 /nfs/dbraw/zinc/31/81/32/176318132.db2.gz ALLWYGCUAYAAIA-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295146971 176318134 /nfs/dbraw/zinc/31/81/34/176318134.db2.gz ALLWYGCUAYAAIA-NXEZZACHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)CC(=O)N1 ZINC000295802727 176321116 /nfs/dbraw/zinc/32/11/16/176321116.db2.gz SNRUDQSSBJQNIU-SECBINFHSA-N 1 2 244.298 0.898 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccco1 ZINC000330621653 176336076 /nfs/dbraw/zinc/33/60/76/176336076.db2.gz MMHFNTOYIHJZFL-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccco1 ZINC000330621653 176336077 /nfs/dbraw/zinc/33/60/77/176336077.db2.gz MMHFNTOYIHJZFL-SNVBAGLBSA-N 1 2 238.287 0.730 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC1 ZINC000355080268 176336226 /nfs/dbraw/zinc/33/62/26/176336226.db2.gz MWDBOELYZLYBCG-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC1 ZINC000355080268 176336228 /nfs/dbraw/zinc/33/62/28/176336228.db2.gz MWDBOELYZLYBCG-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000282356388 176365346 /nfs/dbraw/zinc/36/53/46/176365346.db2.gz AKHTUGOSXZYIBK-MXWKQRLJSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000282356377 176366737 /nfs/dbraw/zinc/36/67/37/176366737.db2.gz AKHTUGOSXZYIBK-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000332662978 176382278 /nfs/dbraw/zinc/38/22/78/176382278.db2.gz GICVMUWDVZLWPE-HTQZYQBOSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000332662978 176382280 /nfs/dbraw/zinc/38/22/80/176382280.db2.gz GICVMUWDVZLWPE-HTQZYQBOSA-N 1 2 226.280 0.091 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332645055 176382313 /nfs/dbraw/zinc/38/23/13/176382313.db2.gz JVQLMQQTKBDKSF-PHDIDXHHSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000332645055 176382315 /nfs/dbraw/zinc/38/23/15/176382315.db2.gz JVQLMQQTKBDKSF-PHDIDXHHSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000332707604 176383034 /nfs/dbraw/zinc/38/30/34/176383034.db2.gz YJMWAXGQEVPJIW-RKDXNWHRSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000332707604 176383035 /nfs/dbraw/zinc/38/30/35/176383035.db2.gz YJMWAXGQEVPJIW-RKDXNWHRSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000354211834 176389823 /nfs/dbraw/zinc/38/98/23/176389823.db2.gz YIGCQWKZUCHBIR-UTUOFQBUSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000354211834 176389824 /nfs/dbraw/zinc/38/98/24/176389824.db2.gz YIGCQWKZUCHBIR-UTUOFQBUSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ncccn1 ZINC000331156513 176477921 /nfs/dbraw/zinc/47/79/21/176477921.db2.gz JHVIEBLSVDRNRV-WDEREUQCSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ncccn1 ZINC000331156513 176477922 /nfs/dbraw/zinc/47/79/22/176477922.db2.gz JHVIEBLSVDRNRV-WDEREUQCSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000270771800 176944252 /nfs/dbraw/zinc/94/42/52/176944252.db2.gz QKUSEHKHJYXBIS-JTQLQIEISA-N 1 2 249.314 0.679 20 0 BCADLO C[C@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290346309 176991362 /nfs/dbraw/zinc/99/13/62/176991362.db2.gz PVFDUYFXODGHLX-GXSJLCMTSA-N 1 2 232.287 0.865 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000361032210 177000558 /nfs/dbraw/zinc/00/05/58/177000558.db2.gz PSHBWIKRMLJYHC-UWVGGRQHSA-N 1 2 240.307 0.342 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000235549297 177001123 /nfs/dbraw/zinc/00/11/23/177001123.db2.gz SKCOAJJEARTTHW-VHSXEESVSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000235549297 177001125 /nfs/dbraw/zinc/00/11/25/177001125.db2.gz SKCOAJJEARTTHW-VHSXEESVSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@H](O)[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235548022 177009054 /nfs/dbraw/zinc/00/90/54/177009054.db2.gz HPVUQLBWSPUUBV-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](O)[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235548022 177009056 /nfs/dbraw/zinc/00/90/56/177009056.db2.gz HPVUQLBWSPUUBV-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnn(C)n1 ZINC000333359162 177015679 /nfs/dbraw/zinc/01/56/79/177015679.db2.gz XCDYKMWSRYNHGD-KXUCPTDWSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nnn(C)n1 ZINC000333359162 177015681 /nfs/dbraw/zinc/01/56/81/177015681.db2.gz XCDYKMWSRYNHGD-KXUCPTDWSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCCO1 ZINC000329885634 177055546 /nfs/dbraw/zinc/05/55/46/177055546.db2.gz UXRRVCVXZUPJMN-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329885634 177055548 /nfs/dbraw/zinc/05/55/48/177055548.db2.gz UXRRVCVXZUPJMN-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000336525821 177056289 /nfs/dbraw/zinc/05/62/89/177056289.db2.gz CKGYHGXFGSMLSF-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C(=O)N(CCCn2cc[nH+]c2)C(=O)N1C ZINC000277252005 177057954 /nfs/dbraw/zinc/05/79/54/177057954.db2.gz HHSXGHAGBJNDCM-VIFPVBQESA-N 1 2 236.275 0.556 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000123534602 177060729 /nfs/dbraw/zinc/06/07/29/177060729.db2.gz NQDUGRIATKNERU-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000123534602 177060730 /nfs/dbraw/zinc/06/07/30/177060730.db2.gz NQDUGRIATKNERU-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H](O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000276512781 177151395 /nfs/dbraw/zinc/15/13/95/177151395.db2.gz KVJMEAROAPMKGQ-HBNTYKKESA-N 1 2 237.303 0.673 20 0 BCADLO C[C@@H](C(=O)N1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000336441967 177151999 /nfs/dbraw/zinc/15/19/99/177151999.db2.gz PAUFDCRBFUSFAR-QWRGUYRKSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1ncnn1CCF ZINC000369192647 177177040 /nfs/dbraw/zinc/17/70/40/177177040.db2.gz HGLKJABVHDIXRC-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1ncnn1CCF ZINC000369192647 177177041 /nfs/dbraw/zinc/17/70/41/177177041.db2.gz HGLKJABVHDIXRC-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811175 177191897 /nfs/dbraw/zinc/19/18/97/177191897.db2.gz CPVRCRQREFKYCS-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811175 177191900 /nfs/dbraw/zinc/19/19/00/177191900.db2.gz CPVRCRQREFKYCS-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2nnnn2C)O1 ZINC000336668697 177200972 /nfs/dbraw/zinc/20/09/72/177200972.db2.gz QEOQZXPOSKZSIZ-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2nnnn2C)O1 ZINC000336668697 177200973 /nfs/dbraw/zinc/20/09/73/177200973.db2.gz QEOQZXPOSKZSIZ-DTWKUNHWSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCC1=O ZINC000281705336 177215794 /nfs/dbraw/zinc/21/57/94/177215794.db2.gz WDQHRPTZAULLJX-JTQLQIEISA-N 1 2 235.287 0.711 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000357849188 177222894 /nfs/dbraw/zinc/22/28/94/177222894.db2.gz JTTJVEUXSMUJFU-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[NH2+]1 ZINC000179179309 177225387 /nfs/dbraw/zinc/22/53/87/177225387.db2.gz DPTCPGAVXZZSHG-QMMMGPOBSA-N 1 2 234.303 0.721 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573285 177250406 /nfs/dbraw/zinc/25/04/06/177250406.db2.gz UJTURXWJYVJJNH-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573285 177250408 /nfs/dbraw/zinc/25/04/08/177250408.db2.gz UJTURXWJYVJJNH-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573285 177250409 /nfs/dbraw/zinc/25/04/09/177250409.db2.gz UJTURXWJYVJJNH-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCC(=O)[C@@H](C)C2)CCO1 ZINC000338573285 177250411 /nfs/dbraw/zinc/25/04/11/177250411.db2.gz UJTURXWJYVJJNH-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC(=O)N1C ZINC000282052842 177262732 /nfs/dbraw/zinc/26/27/32/177262732.db2.gz GMVFQPOTMSUWSN-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC(=O)N1C ZINC000282052842 177262734 /nfs/dbraw/zinc/26/27/34/177262734.db2.gz GMVFQPOTMSUWSN-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccn(C)c2)CC(=O)N1 ZINC000295138516 177267994 /nfs/dbraw/zinc/26/79/94/177267994.db2.gz ZLKNNQNCWSHADW-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC(=O)N1 ZINC000295138516 177267996 /nfs/dbraw/zinc/26/79/96/177267996.db2.gz ZLKNNQNCWSHADW-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1CO ZINC000362070740 177270684 /nfs/dbraw/zinc/27/06/84/177270684.db2.gz HDIQHZAWIHMMQX-WCBMZHEXSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1CO ZINC000362070740 177270686 /nfs/dbraw/zinc/27/06/86/177270686.db2.gz HDIQHZAWIHMMQX-WCBMZHEXSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)[C@H]1C ZINC000339580811 177271281 /nfs/dbraw/zinc/27/12/81/177271281.db2.gz HGNNGMCQHFFMGH-YUMQZZPRSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)[C@H]1C ZINC000339580811 177271283 /nfs/dbraw/zinc/27/12/83/177271283.db2.gz HGNNGMCQHFFMGH-YUMQZZPRSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@H]1C[N@H+](Cc2nccc(N)n2)CCCO1 ZINC000179208952 177271527 /nfs/dbraw/zinc/27/15/27/177271527.db2.gz UNPLPZMHFVYLAL-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nccc(N)n2)CCCO1 ZINC000179208952 177271529 /nfs/dbraw/zinc/27/15/29/177271529.db2.gz UNPLPZMHFVYLAL-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1O ZINC000338278960 177271658 /nfs/dbraw/zinc/27/16/58/177271658.db2.gz IBJSBSNWDKYOLQ-UWVGGRQHSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1O ZINC000338278960 177271660 /nfs/dbraw/zinc/27/16/60/177271660.db2.gz IBJSBSNWDKYOLQ-UWVGGRQHSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@H](C)O1 ZINC000336718668 177275334 /nfs/dbraw/zinc/27/53/34/177275334.db2.gz WYXAIAWZPWNGEM-JFGNBEQYSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@H](C)O1 ZINC000336718668 177275335 /nfs/dbraw/zinc/27/53/35/177275335.db2.gz WYXAIAWZPWNGEM-JFGNBEQYSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2cnn(C)n2)C1 ZINC000377825948 177289385 /nfs/dbraw/zinc/28/93/85/177289385.db2.gz HLEPGBFLAJPFGA-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000377825948 177289388 /nfs/dbraw/zinc/28/93/88/177289388.db2.gz HLEPGBFLAJPFGA-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC000191380531 177291489 /nfs/dbraw/zinc/29/14/89/177291489.db2.gz XUAOUGZTFTYTNQ-NWDGAFQWSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC000191380531 177291491 /nfs/dbraw/zinc/29/14/91/177291491.db2.gz XUAOUGZTFTYTNQ-NWDGAFQWSA-N 1 2 228.336 0.428 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000354284697 177292801 /nfs/dbraw/zinc/29/28/01/177292801.db2.gz SWOISAPKJVXMIG-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000354284697 177292803 /nfs/dbraw/zinc/29/28/03/177292803.db2.gz SWOISAPKJVXMIG-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CO1 ZINC000358162082 177307643 /nfs/dbraw/zinc/30/76/43/177307643.db2.gz LHEFVOKEENJENU-VHSXEESVSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N(C)C ZINC000336336306 177328406 /nfs/dbraw/zinc/32/84/06/177328406.db2.gz ROYROPURFHPISS-WDEREUQCSA-N 1 2 241.335 0.463 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627341 177336843 /nfs/dbraw/zinc/33/68/43/177336843.db2.gz HNJXLTFXIMJQCW-GXSJLCMTSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627341 177336844 /nfs/dbraw/zinc/33/68/44/177336844.db2.gz HNJXLTFXIMJQCW-GXSJLCMTSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)NCc1c[nH+]cn1C ZINC000360290008 177336905 /nfs/dbraw/zinc/33/69/05/177336905.db2.gz OLMOCFOLTPSURW-WCBMZHEXSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@H]1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)CO1 ZINC000358162081 177353768 /nfs/dbraw/zinc/35/37/68/177353768.db2.gz LHEFVOKEENJENU-UWVGGRQHSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@H]1[N@H+](CCCS(C)(=O)=O)CCOC1(C)C ZINC000336666260 177392088 /nfs/dbraw/zinc/39/20/88/177392088.db2.gz FYHBMZPFVUYVRL-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1[N@@H+](CCCS(C)(=O)=O)CCOC1(C)C ZINC000336666260 177392089 /nfs/dbraw/zinc/39/20/89/177392089.db2.gz FYHBMZPFVUYVRL-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1OCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000283363061 177398026 /nfs/dbraw/zinc/39/80/26/177398026.db2.gz JBOKYDCYVQTUOS-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@]1([NH2+]C[C@H](O)Cc2ccccc2)CCOC1=O ZINC000295159079 177469661 /nfs/dbraw/zinc/46/96/61/177469661.db2.gz DBWMOSDYQFBFQN-OCCSQVGLSA-N 1 2 249.310 0.885 20 0 BCADLO Cc1csc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674875391 487640597 /nfs/dbraw/zinc/64/05/97/487640597.db2.gz HTGVYHCOFVHJQU-DTORHVGOSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1csc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674875391 487640600 /nfs/dbraw/zinc/64/06/00/487640600.db2.gz HTGVYHCOFVHJQU-DTORHVGOSA-N 1 2 228.317 0.379 20 0 BCADLO CO[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CC1 ZINC000400169403 224659562 /nfs/dbraw/zinc/65/95/62/224659562.db2.gz KONFUPGPJDYRFH-WCBMZHEXSA-N 1 2 224.308 0.891 20 0 BCADLO Cc1ccnc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000471747924 225077454 /nfs/dbraw/zinc/07/74/54/225077454.db2.gz QDNKHEJYEYDJDC-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cnns1 ZINC000307062912 487643354 /nfs/dbraw/zinc/64/33/54/487643354.db2.gz NKXQZCHIPCWRFJ-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cnns1 ZINC000307062912 487643358 /nfs/dbraw/zinc/64/33/58/487643358.db2.gz NKXQZCHIPCWRFJ-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678044552 487644786 /nfs/dbraw/zinc/64/47/86/487644786.db2.gz PUJAKOPMJMICSH-SFYZADRCSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678044552 487644792 /nfs/dbraw/zinc/64/47/92/487644792.db2.gz PUJAKOPMJMICSH-SFYZADRCSA-N 1 2 227.226 0.878 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@](O)(CO)C2)co1 ZINC000313639158 487645640 /nfs/dbraw/zinc/64/56/40/487645640.db2.gz OQBMJYHEIFPMMJ-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@](O)(CO)C2)co1 ZINC000313639158 487645644 /nfs/dbraw/zinc/64/56/44/487645644.db2.gz OQBMJYHEIFPMMJ-NSHDSACASA-N 1 2 226.276 0.302 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@](O)(CO)C2)co1 ZINC000313639157 487645791 /nfs/dbraw/zinc/64/57/91/487645791.db2.gz OQBMJYHEIFPMMJ-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@](O)(CO)C2)co1 ZINC000313639157 487645794 /nfs/dbraw/zinc/64/57/94/487645794.db2.gz OQBMJYHEIFPMMJ-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CO)CC1 ZINC000492759310 226047272 /nfs/dbraw/zinc/04/72/72/226047272.db2.gz BYHVVKYDONXRSJ-OWOJBTEDSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)(F)CO ZINC000492766022 226049736 /nfs/dbraw/zinc/04/97/36/226049736.db2.gz MNVKBDPFZHGQEK-UPHRSURJSA-N 1 2 231.202 0.167 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1cccn1 ZINC000492807088 226057084 /nfs/dbraw/zinc/05/70/84/226057084.db2.gz AUCGBHADPSSROX-IHWYPQMZSA-N 1 2 231.259 0.436 20 0 BCADLO COCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492809021 226057581 /nfs/dbraw/zinc/05/75/81/226057581.db2.gz FFGHJMZXYQGIJI-ARJAWSKDSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CCO ZINC000492822269 226059752 /nfs/dbraw/zinc/05/97/52/226059752.db2.gz IBRTULAQZFWLMH-BYCRGOAPSA-N 1 2 235.287 0.796 20 0 BCADLO Cn1cnc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492854792 226066645 /nfs/dbraw/zinc/06/66/45/226066645.db2.gz RJZYKMYHOUDJRN-NSCUHMNNSA-N 1 2 218.220 0.190 20 0 BCADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492866485 226070048 /nfs/dbraw/zinc/07/00/48/226070048.db2.gz QBUXWTKQDAXXFL-QUCGXOGASA-N 1 2 221.260 0.718 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1CC(O)C1 ZINC000492893047 226076569 /nfs/dbraw/zinc/07/65/69/226076569.db2.gz FVLUXUFJDKRTEV-OWOJBTEDSA-N 1 2 235.287 0.700 20 0 BCADLO C[C@H](Cn1cncn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903488 226080076 /nfs/dbraw/zinc/08/00/76/226080076.db2.gz TUODHRGXOMIGQK-PKRMOACSSA-N 1 2 246.274 0.219 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](CCO)C1 ZINC000493055533 226114129 /nfs/dbraw/zinc/11/41/29/226114129.db2.gz SQIGCBAZSLKLGU-YOLVWIGZSA-N 1 2 235.287 0.654 20 0 BCADLO CCn1ncnc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493074923 226119484 /nfs/dbraw/zinc/11/94/84/226119484.db2.gz VWCNTLJMIJUWNM-ONEGZZNKSA-N 1 2 246.274 0.351 20 0 BCADLO COC1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493084843 226120612 /nfs/dbraw/zinc/12/06/12/226120612.db2.gz BPVWZILUDDVDSU-NSCUHMNNSA-N 1 2 207.233 0.280 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](CO)C1CC1 ZINC000493092751 226124275 /nfs/dbraw/zinc/12/42/75/226124275.db2.gz YGZIUOWVEQAVLS-HMDXOVGESA-N 1 2 235.287 0.558 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493113014 226129425 /nfs/dbraw/zinc/12/94/25/226129425.db2.gz FNXULSZFTYOYEA-BNEREYBLSA-N 1 2 221.260 0.717 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOC(=O)C1CC1 ZINC000493111931 226129513 /nfs/dbraw/zinc/12/95/13/226129513.db2.gz DFSFPRJSXLVGNY-ONEGZZNKSA-N 1 2 249.270 0.492 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCn1ccnn1 ZINC000493130039 226134600 /nfs/dbraw/zinc/13/46/00/226134600.db2.gz WEDAEHFWEKNQOL-NSCUHMNNSA-N 1 2 246.274 0.221 20 0 BCADLO C[C@@H](NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000557047316 322933707 /nfs/dbraw/zinc/93/37/07/322933707.db2.gz JAMYJNCGYIAZCG-ZCFIWIBFSA-N 1 2 205.221 0.624 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C=Cc1c[nH]cn1 ZINC000493164863 226143083 /nfs/dbraw/zinc/14/30/83/226143083.db2.gz WJKBOOIQSBRDRH-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO NC(=O)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493258878 226167939 /nfs/dbraw/zinc/16/79/39/226167939.db2.gz PWPIANQOOKBFLW-ZBJFTSOASA-N 1 2 248.286 0.147 20 0 BCADLO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200866 226278593 /nfs/dbraw/zinc/27/85/93/226278593.db2.gz ILUCKFILRPNKOS-LDYMZIIASA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200866 226278594 /nfs/dbraw/zinc/27/85/94/226278594.db2.gz ILUCKFILRPNKOS-LDYMZIIASA-N 1 2 240.307 0.493 20 0 BCADLO O=C1NC2(CO1)CC[NH+](Cc1ccon1)CC2 ZINC000495256500 226280262 /nfs/dbraw/zinc/28/02/62/226280262.db2.gz ZLFJSSRVVPOJOR-UHFFFAOYSA-N 1 2 237.259 0.749 20 0 BCADLO Cc1nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc[nH+]1 ZINC000495280633 226280477 /nfs/dbraw/zinc/28/04/77/226280477.db2.gz CHDFLCBTPFWBLZ-ZJUUUORDSA-N 1 2 248.286 0.720 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](O)C1 ZINC000493466154 226223830 /nfs/dbraw/zinc/22/38/30/226223830.db2.gz ZPSZTEJKZCYIMO-GPYPMJJRSA-N 1 2 207.233 0.016 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(CO)CC1 ZINC000493488154 226230927 /nfs/dbraw/zinc/23/09/27/226230927.db2.gz NDXOOXQUJUTTTR-OWOJBTEDSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCN1CCCC1=O ZINC000493548351 226242771 /nfs/dbraw/zinc/24/27/71/226242771.db2.gz FWMRPIDQMFDTLM-ONEGZZNKSA-N 1 2 248.286 0.162 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000493560165 226243482 /nfs/dbraw/zinc/24/34/82/226243482.db2.gz SSUWCVUTQWCVPS-OCIBVNFRSA-N 1 2 235.287 0.700 20 0 BCADLO COCCOCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493608990 226245621 /nfs/dbraw/zinc/24/56/21/226245621.db2.gz BFUCFEMQHQOQEV-NSCUHMNNSA-N 1 2 239.275 0.202 20 0 BCADLO CN(C)C(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493618617 226246213 /nfs/dbraw/zinc/24/62/13/226246213.db2.gz NAJGGMWZTYQYFW-ARJAWSKDSA-N 1 2 236.275 0.017 20 0 BCADLO C[C@H](CO)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493654830 226247769 /nfs/dbraw/zinc/24/77/69/226247769.db2.gz PUICATPNRMNLOY-YEZKRMTDSA-N 1 2 237.303 0.948 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CO)CC1 ZINC000493659662 226247991 /nfs/dbraw/zinc/24/79/91/226247991.db2.gz MBTSIPJJVPUVAO-UPHRSURJSA-N 1 2 207.233 0.064 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493780512 226253775 /nfs/dbraw/zinc/25/37/75/226253775.db2.gz CBMXHPGHMWUGDV-XPDWMRMNSA-N 1 2 221.260 0.405 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCC1=O ZINC000493800864 226254586 /nfs/dbraw/zinc/25/45/86/226254586.db2.gz CXQGNPVXSFPOGD-XNPJLODASA-N 1 2 233.271 0.908 20 0 BCADLO COCC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493847143 226256953 /nfs/dbraw/zinc/25/69/53/226256953.db2.gz FQGYGHFQMKKZFO-ONEGZZNKSA-N 1 2 235.287 0.918 20 0 BCADLO COCC[N@H+](C)CN1CC(C)(C)OC1=O ZINC000494001928 226259808 /nfs/dbraw/zinc/25/98/08/226259808.db2.gz KBJIAHUBVHHWRI-UHFFFAOYSA-N 1 2 216.281 0.753 20 0 BCADLO COCC[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000494001928 226259809 /nfs/dbraw/zinc/25/98/09/226259809.db2.gz KBJIAHUBVHHWRI-UHFFFAOYSA-N 1 2 216.281 0.753 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)OC[C@H]2C1 ZINC000496347452 226302560 /nfs/dbraw/zinc/30/25/60/226302560.db2.gz WZZICNUYSPLQLV-SNVBAGLBSA-N 1 2 248.286 0.734 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496380449 226303508 /nfs/dbraw/zinc/30/35/08/226303508.db2.gz ZCBSCBQQIVJXMR-IUCAKERBSA-N 1 2 243.307 0.023 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496380449 226303509 /nfs/dbraw/zinc/30/35/09/226303509.db2.gz ZCBSCBQQIVJXMR-IUCAKERBSA-N 1 2 243.307 0.023 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H]2CN(C)C(=O)O2)no1 ZINC000496629807 226310124 /nfs/dbraw/zinc/31/01/24/226310124.db2.gz XPMSGHHDYLZJJH-JTQLQIEISA-N 1 2 239.275 0.865 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H]2CN(C)C(=O)O2)no1 ZINC000496629807 226310125 /nfs/dbraw/zinc/31/01/25/226310125.db2.gz XPMSGHHDYLZJJH-JTQLQIEISA-N 1 2 239.275 0.865 20 0 BCADLO CO[C@@H](C[N@H+](CCO)CC(F)F)C1CC1 ZINC000400282632 226339669 /nfs/dbraw/zinc/33/96/69/226339669.db2.gz RWNSQYZELJLXQZ-VIFPVBQESA-N 1 2 223.263 0.971 20 0 BCADLO CO[C@@H](C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000400282632 226339670 /nfs/dbraw/zinc/33/96/70/226339670.db2.gz RWNSQYZELJLXQZ-VIFPVBQESA-N 1 2 223.263 0.971 20 0 BCADLO Cc1cnc(C[N@@H+](CC(N)=O)CC(C)C)cn1 ZINC000505636848 226357908 /nfs/dbraw/zinc/35/79/08/226357908.db2.gz MPTMEBUTNXUYRG-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1cnc(C[N@H+](CC(N)=O)CC(C)C)cn1 ZINC000505636848 226357909 /nfs/dbraw/zinc/35/79/09/226357909.db2.gz MPTMEBUTNXUYRG-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO COCC[N@H+](Cc1cnnn1C)C1CC1 ZINC000507171651 226366581 /nfs/dbraw/zinc/36/65/81/226366581.db2.gz WTOXMJXWGXNBBG-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC[N@@H+](Cc1cnnn1C)C1CC1 ZINC000507171651 226366582 /nfs/dbraw/zinc/36/65/82/226366582.db2.gz WTOXMJXWGXNBBG-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO O=c1ccccn1CC[NH+]1CCOCC1 ZINC000096547418 487649643 /nfs/dbraw/zinc/64/96/43/487649643.db2.gz UDKBTHABGBWSPH-UHFFFAOYSA-N 1 2 208.261 0.181 20 0 BCADLO Cc1nnc(CN(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000674910031 487652425 /nfs/dbraw/zinc/65/24/25/487652425.db2.gz ZOSUCEDAUDLLAN-UHFFFAOYSA-N 1 2 206.253 0.468 20 0 BCADLO Cc1cncc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000680828433 487653028 /nfs/dbraw/zinc/65/30/28/487653028.db2.gz AHUQPEMZSAFDQF-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000680828433 487653031 /nfs/dbraw/zinc/65/30/31/487653031.db2.gz AHUQPEMZSAFDQF-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000680864039 487660286 /nfs/dbraw/zinc/66/02/86/487660286.db2.gz CFUWFBLOJIEMDZ-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000680864039 487660288 /nfs/dbraw/zinc/66/02/88/487660288.db2.gz CFUWFBLOJIEMDZ-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO COCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557444865 322937336 /nfs/dbraw/zinc/93/73/36/322937336.db2.gz YRHJXKCRIVAGBC-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H](C)O)[nH+]1 ZINC000309096596 229333745 /nfs/dbraw/zinc/33/37/45/229333745.db2.gz DBRWLGXQQHBACX-ZCFIWIBFSA-N 1 2 211.269 0.039 20 0 BCADLO Cc1nc(NC[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000309096596 229333747 /nfs/dbraw/zinc/33/37/47/229333747.db2.gz DBRWLGXQQHBACX-ZCFIWIBFSA-N 1 2 211.269 0.039 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)nc1 ZINC000680931347 487673661 /nfs/dbraw/zinc/67/36/61/487673661.db2.gz RHVJRRQVHDOSHY-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)nc1 ZINC000680931347 487673665 /nfs/dbraw/zinc/67/36/65/487673665.db2.gz RHVJRRQVHDOSHY-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCc1cc(NCc2cc(C(N)=O)no2)nc[nH+]1 ZINC000675143215 487673806 /nfs/dbraw/zinc/67/38/06/487673806.db2.gz WNURWSQKOCENNG-UHFFFAOYSA-N 1 2 247.258 0.738 20 0 BCADLO CC(C)n1ccnc1C[NH2+][C@H](C)C(N)=O ZINC000671673778 487682950 /nfs/dbraw/zinc/68/29/50/487682950.db2.gz DNUBOAUFCPZGSL-MRVPVSSYSA-N 1 2 210.281 0.427 20 0 BCADLO CCN1CC[C@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000660142288 487685502 /nfs/dbraw/zinc/68/55/02/487685502.db2.gz UBHNNGJCVDLPEC-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CC[N@H+](CCOCCO)[C@@H](C)c1nc(C)no1 ZINC000669695661 487687354 /nfs/dbraw/zinc/68/73/54/487687354.db2.gz CXMDBASOJQRXEW-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@@H](C)c1nc(C)no1 ZINC000669695661 487687359 /nfs/dbraw/zinc/68/73/59/487687359.db2.gz CXMDBASOJQRXEW-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO Cc1nc(NC[C@H]2CCCNC2=O)cc[nH+]1 ZINC000665740806 487689764 /nfs/dbraw/zinc/68/97/64/487689764.db2.gz LOTIYOMHDLCKRJ-SECBINFHSA-N 1 2 220.276 0.723 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCOC1 ZINC000668401084 487694714 /nfs/dbraw/zinc/69/47/14/487694714.db2.gz OAQDHPYKBCPUBP-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCOC1 ZINC000668401084 487694718 /nfs/dbraw/zinc/69/47/18/487694718.db2.gz OAQDHPYKBCPUBP-NXEZZACHSA-N 1 2 249.314 0.762 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC000681014262 487695004 /nfs/dbraw/zinc/69/50/04/487695004.db2.gz GDHNBMIHTZXRQT-UHFFFAOYSA-N 1 2 238.262 0.919 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000681020205 487696844 /nfs/dbraw/zinc/69/68/44/487696844.db2.gz WWCFKUOBUCSLIM-VIFPVBQESA-N 1 2 222.292 0.606 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000681020205 487696848 /nfs/dbraw/zinc/69/68/48/487696848.db2.gz WWCFKUOBUCSLIM-VIFPVBQESA-N 1 2 222.292 0.606 20 0 BCADLO O[C@H](C[NH2+]Cc1ccon1)C(F)(F)F ZINC000088053226 487696907 /nfs/dbraw/zinc/69/69/07/487696907.db2.gz DAGRWUUWIDHKKI-ZCFIWIBFSA-N 1 2 210.155 0.687 20 0 BCADLO Cc1cncc(C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000228635103 487698546 /nfs/dbraw/zinc/69/85/46/487698546.db2.gz IHNSHNXQTWGAMJ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cncc(C[N@H+]2CCOC[C@H]2CO)c1 ZINC000228635103 487698552 /nfs/dbraw/zinc/69/85/52/487698552.db2.gz IHNSHNXQTWGAMJ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO COc1ccc[nH+]c1N(C)CCC(N)=O ZINC000528019292 262901702 /nfs/dbraw/zinc/90/17/02/262901702.db2.gz SPFDJKOAWOAWPF-UHFFFAOYSA-N 1 2 209.249 0.402 20 0 BCADLO CC1(O)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000088022893 487699489 /nfs/dbraw/zinc/69/94/89/487699489.db2.gz YQGNYZLOPBSXOC-UHFFFAOYSA-N 1 2 222.288 0.925 20 0 BCADLO CCCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081557 487703073 /nfs/dbraw/zinc/70/30/73/487703073.db2.gz LWCVFMFRNVRSBS-UHFFFAOYSA-N 1 2 203.267 0.239 20 0 BCADLO CCCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081557 487703078 /nfs/dbraw/zinc/70/30/78/487703078.db2.gz LWCVFMFRNVRSBS-UHFFFAOYSA-N 1 2 203.267 0.239 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861259 533687134 /nfs/dbraw/zinc/68/71/34/533687134.db2.gz PRMOXHXHOUMFKY-VEMNSZJBSA-N 1 2 237.259 0.491 20 0 BCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC000675360659 487719381 /nfs/dbraw/zinc/71/93/81/487719381.db2.gz VDYLFXCUOLCWJA-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO COCC[C@@H](C)O[NH+]=C(N)[C@@H](C)OC ZINC000755945151 585004772 /nfs/dbraw/zinc/00/47/72/585004772.db2.gz MNACRQFLCQVLRA-HTQZYQBOSA-N 1 2 204.270 0.945 20 0 BCADLO C[C@H](CO)CNc1[nH+]cnc2c1OCCN2 ZINC000665694097 487733417 /nfs/dbraw/zinc/73/34/17/487733417.db2.gz HTJXXSQWUMUYPB-ZETCQYMHSA-N 1 2 224.264 0.321 20 0 BCADLO C[C@H](CO)CNc1nc[nH+]c2c1OCCN2 ZINC000665694097 487733421 /nfs/dbraw/zinc/73/34/21/487733421.db2.gz HTJXXSQWUMUYPB-ZETCQYMHSA-N 1 2 224.264 0.321 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000088572206 487734749 /nfs/dbraw/zinc/73/47/49/487734749.db2.gz LUAXJXTUMOWCFJ-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO C[C@@H](CO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665708668 487735647 /nfs/dbraw/zinc/73/56/47/487735647.db2.gz WQZBGAVPEWAERZ-ZETCQYMHSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@@H](CO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665708668 487735654 /nfs/dbraw/zinc/73/56/54/487735654.db2.gz WQZBGAVPEWAERZ-ZETCQYMHSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@@H]1OCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665709413 487736300 /nfs/dbraw/zinc/73/63/00/487736300.db2.gz KBTQXAPJXZLFGR-JGVFFNPUSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@@H]1OCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665709413 487736304 /nfs/dbraw/zinc/73/63/04/487736304.db2.gz KBTQXAPJXZLFGR-JGVFFNPUSA-N 1 2 236.275 0.870 20 0 BCADLO CO[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665704846 487736395 /nfs/dbraw/zinc/73/63/95/487736395.db2.gz FPNJMXPZJDDAJG-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO CO[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665704846 487736399 /nfs/dbraw/zinc/73/63/99/487736399.db2.gz FPNJMXPZJDDAJG-QMMMGPOBSA-N 1 2 236.275 0.506 20 0 BCADLO F[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665721528 487739922 /nfs/dbraw/zinc/73/99/22/487739922.db2.gz JETWDOKWZZKGGN-ZETCQYMHSA-N 1 2 224.239 0.829 20 0 BCADLO F[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665721528 487739929 /nfs/dbraw/zinc/73/99/29/487739929.db2.gz JETWDOKWZZKGGN-ZETCQYMHSA-N 1 2 224.239 0.829 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000665744833 487740991 /nfs/dbraw/zinc/74/09/91/487740991.db2.gz OVZFHCMRFMYNTG-WDEREUQCSA-N 1 2 239.319 0.973 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000676743950 487741910 /nfs/dbraw/zinc/74/19/10/487741910.db2.gz VENSDOTYVHZMOU-QWRGUYRKSA-N 1 2 239.319 0.939 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2COCCO2)s1 ZINC000661609463 487747692 /nfs/dbraw/zinc/74/76/92/487747692.db2.gz AIEHPARGVMXQHC-SECBINFHSA-N 1 2 243.332 0.694 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2COCCO2)s1 ZINC000661609463 487747695 /nfs/dbraw/zinc/74/76/95/487747695.db2.gz AIEHPARGVMXQHC-SECBINFHSA-N 1 2 243.332 0.694 20 0 BCADLO CO[C@@H](C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000666217083 487758150 /nfs/dbraw/zinc/75/81/50/487758150.db2.gz HHSRDPQDUKDDCH-VIFPVBQESA-N 1 2 238.291 0.443 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)NC1=NCCS1 ZINC000748548151 585193860 /nfs/dbraw/zinc/19/38/60/585193860.db2.gz SZYWRKSWWXRVHA-ZETCQYMHSA-N 1 2 213.306 0.300 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)NC1=NCCS1 ZINC000748548151 585193861 /nfs/dbraw/zinc/19/38/61/585193861.db2.gz SZYWRKSWWXRVHA-ZETCQYMHSA-N 1 2 213.306 0.300 20 0 BCADLO CN(C)c1ccc(CNC(=O)[C@@H](O)C2CC2)c[nH+]1 ZINC000666249095 487769971 /nfs/dbraw/zinc/76/99/71/487769971.db2.gz SVVVZNSBRBFFRI-LBPRGKRZSA-N 1 2 249.314 0.535 20 0 BCADLO Cc1nccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448525 487770186 /nfs/dbraw/zinc/77/01/86/487770186.db2.gz RADJAJVUTXBUHL-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO C[C@@H]1[N@H+](CCS(C)(=O)=O)CCOC1(C)C ZINC000763420756 585448209 /nfs/dbraw/zinc/44/82/09/585448209.db2.gz WIYWAFHTIZTARM-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1[N@@H+](CCS(C)(=O)=O)CCOC1(C)C ZINC000763420756 585448210 /nfs/dbraw/zinc/44/82/10/585448210.db2.gz WIYWAFHTIZTARM-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)c1cnco1 ZINC000681358369 487784056 /nfs/dbraw/zinc/78/40/56/487784056.db2.gz ZEBOKULNEKAJAJ-UHFFFAOYSA-N 1 2 232.243 0.810 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681361299 487785035 /nfs/dbraw/zinc/78/50/35/487785035.db2.gz CIHPFFITZGWBQV-ZJUUUORDSA-N 1 2 249.314 0.933 20 0 BCADLO CCOC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000666352774 487792221 /nfs/dbraw/zinc/79/22/21/487792221.db2.gz DFZJWXROCIYIEQ-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000070215039 487792468 /nfs/dbraw/zinc/79/24/68/487792468.db2.gz NZNLOFRNZJVNTR-QMMMGPOBSA-N 1 2 233.275 0.733 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000047618354 487794598 /nfs/dbraw/zinc/79/45/98/487794598.db2.gz HHVNBBSYOOFIIY-MNOVXSKESA-N 1 2 241.335 0.274 20 0 BCADLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCCNC1=O ZINC000675966786 487798181 /nfs/dbraw/zinc/79/81/81/487798181.db2.gz CWHIHNJGBPHYOP-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCCNC1=O ZINC000675966786 487798183 /nfs/dbraw/zinc/79/81/83/487798183.db2.gz CWHIHNJGBPHYOP-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CN(c1nc[nH+]c(N)c1Cl)[C@@H]1CCOC1 ZINC000234308713 487799374 /nfs/dbraw/zinc/79/93/74/487799374.db2.gz KPDTWIXZQUSKMZ-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO CN(c1[nH+]cnc(N)c1Cl)[C@@H]1CCOC1 ZINC000234308713 487799377 /nfs/dbraw/zinc/79/93/77/487799377.db2.gz KPDTWIXZQUSKMZ-ZCFIWIBFSA-N 1 2 228.683 0.937 20 0 BCADLO Cn1c[nH+]c2c1CCN([C@@H]1CCCOC1)C2 ZINC000674302382 487799933 /nfs/dbraw/zinc/79/99/33/487799933.db2.gz MFAMQCVSXCIVOJ-SNVBAGLBSA-N 1 2 221.304 0.957 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776591589 585702200 /nfs/dbraw/zinc/70/22/00/585702200.db2.gz KROSNYRVIXATAZ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776591589 585702201 /nfs/dbraw/zinc/70/22/01/585702201.db2.gz KROSNYRVIXATAZ-SNVBAGLBSA-N 1 2 215.293 0.906 20 0 BCADLO Cc1nnc(CNc2nc(N(C)C)nc(C)[nH+]2)o1 ZINC000676077574 487810717 /nfs/dbraw/zinc/81/07/17/487810717.db2.gz HUABBLJHDSAAGK-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO Cc1nnc(CNc2nc(C)[nH+]c(N(C)C)n2)o1 ZINC000676077574 487810722 /nfs/dbraw/zinc/81/07/22/487810722.db2.gz HUABBLJHDSAAGK-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C1CC1 ZINC000666451855 487813260 /nfs/dbraw/zinc/81/32/60/487813260.db2.gz QAOKMHSMTIHLEW-WPRPVWTQSA-N 1 2 223.276 0.159 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC1CC=CC1 ZINC000681554580 487815807 /nfs/dbraw/zinc/81/58/07/487815807.db2.gz SWQOYKJUEUFWGT-UHFFFAOYSA-N 1 2 205.261 0.797 20 0 BCADLO CCCn1nccc1C[N@H+](CC)CC(N)=O ZINC000668048915 487820847 /nfs/dbraw/zinc/82/08/47/487820847.db2.gz UUBGIXCGAKGBGS-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO CCCn1nccc1C[N@@H+](CC)CC(N)=O ZINC000668048915 487820852 /nfs/dbraw/zinc/82/08/52/487820852.db2.gz UUBGIXCGAKGBGS-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO Cc1cc(NC(=O)NC/C=C/CO)c(C)c[nH+]1 ZINC000666496679 487822226 /nfs/dbraw/zinc/82/22/26/487822226.db2.gz SDAGBTQVBRLGBV-ONEGZZNKSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)nc1 ZINC000681604188 487822519 /nfs/dbraw/zinc/82/25/19/487822519.db2.gz PTWVICINRTXTOV-LLVKDONJSA-N 1 2 244.302 0.824 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cncn3)C2)nc1 ZINC000681604188 487822523 /nfs/dbraw/zinc/82/25/23/487822523.db2.gz PTWVICINRTXTOV-LLVKDONJSA-N 1 2 244.302 0.824 20 0 BCADLO COC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647964240 487827008 /nfs/dbraw/zinc/82/70/08/487827008.db2.gz ZQKBXSDZJBRMIS-SNVBAGLBSA-N 1 2 224.308 0.706 20 0 BCADLO COC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647964240 487827015 /nfs/dbraw/zinc/82/70/15/487827015.db2.gz ZQKBXSDZJBRMIS-SNVBAGLBSA-N 1 2 224.308 0.706 20 0 BCADLO FCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796340773 586101252 /nfs/dbraw/zinc/10/12/52/586101252.db2.gz MJPXOSVZCDEFJR-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796340773 586101253 /nfs/dbraw/zinc/10/12/53/586101253.db2.gz MJPXOSVZCDEFJR-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000828313170 587434191 /nfs/dbraw/zinc/43/41/91/587434191.db2.gz MZQSQLOOVQQKFB-QMTHXVAHSA-N 1 2 217.334 0.476 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000828313170 587434192 /nfs/dbraw/zinc/43/41/92/587434192.db2.gz MZQSQLOOVQQKFB-QMTHXVAHSA-N 1 2 217.334 0.476 20 0 BCADLO CCO/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000493357358 528525824 /nfs/dbraw/zinc/52/58/24/528525824.db2.gz UOIDVUWLKUGMIL-BAQGIRSFSA-N 1 2 209.249 0.550 20 0 BCADLO CC[N@H+](CCO)Cc1ncnn1CC(F)F ZINC000487874505 528554854 /nfs/dbraw/zinc/55/48/54/528554854.db2.gz LVIIVQVRRIBKMO-UHFFFAOYSA-N 1 2 234.250 0.357 20 0 BCADLO CC[N@@H+](CCO)Cc1ncnn1CC(F)F ZINC000487874505 528554857 /nfs/dbraw/zinc/55/48/57/528554857.db2.gz LVIIVQVRRIBKMO-UHFFFAOYSA-N 1 2 234.250 0.357 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1c[nH+]c[nH]1 ZINC000668995092 487843785 /nfs/dbraw/zinc/84/37/85/487843785.db2.gz GQYPYGZVPOIXQV-UFBFGSQYSA-N 1 2 235.287 0.841 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1c[nH]c[nH+]1 ZINC000668995092 487843791 /nfs/dbraw/zinc/84/37/91/487843791.db2.gz GQYPYGZVPOIXQV-UFBFGSQYSA-N 1 2 235.287 0.841 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H](C)CO)CC1=O ZINC000681707741 487843975 /nfs/dbraw/zinc/84/39/75/487843975.db2.gz OKHFRYSEUUKKQY-LLVKDONJSA-N 1 2 228.336 0.415 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H](C)CO)CC1=O ZINC000681707741 487843978 /nfs/dbraw/zinc/84/39/78/487843978.db2.gz OKHFRYSEUUKKQY-LLVKDONJSA-N 1 2 228.336 0.415 20 0 BCADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H](C)CO ZINC000493294332 528908403 /nfs/dbraw/zinc/90/84/03/528908403.db2.gz WGOCDJLIOSNDBV-MOVJSRMASA-N 1 2 223.276 0.652 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000681707403 487844012 /nfs/dbraw/zinc/84/40/12/487844012.db2.gz DQRWJRBTPRBECF-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000681707403 487844015 /nfs/dbraw/zinc/84/40/15/487844015.db2.gz DQRWJRBTPRBECF-JTQLQIEISA-N 1 2 249.314 0.048 20 0 BCADLO Cc1nnc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000668995131 487844243 /nfs/dbraw/zinc/84/42/43/487844243.db2.gz IAPBKAQHHQWRBC-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1nnc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000668995131 487844246 /nfs/dbraw/zinc/84/42/46/487844246.db2.gz IAPBKAQHHQWRBC-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO CCc1nocc1C(=O)NCc1c[nH+]c[nH]1 ZINC000668995505 487844275 /nfs/dbraw/zinc/84/42/75/487844275.db2.gz MMMIMYFQIYOXSA-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CCc1nocc1C(=O)NCc1c[nH]c[nH+]1 ZINC000668995505 487844277 /nfs/dbraw/zinc/84/42/77/487844277.db2.gz MMMIMYFQIYOXSA-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000681710100 487846980 /nfs/dbraw/zinc/84/69/80/487846980.db2.gz SVHJYDGAMFRGRE-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000681710100 487846982 /nfs/dbraw/zinc/84/69/82/487846982.db2.gz SVHJYDGAMFRGRE-NSHDSACASA-N 1 2 239.275 0.460 20 0 BCADLO CC(C)[C@H](O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000878177168 590515749 /nfs/dbraw/zinc/51/57/49/590515749.db2.gz RLGIGBQSUKMART-SECBINFHSA-N 1 2 212.297 0.644 20 0 BCADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000878177168 590515752 /nfs/dbraw/zinc/51/57/52/590515752.db2.gz RLGIGBQSUKMART-SECBINFHSA-N 1 2 212.297 0.644 20 0 BCADLO Cc1cn2c([nH+]1)CN(CCN1CCNC1=O)CC2 ZINC000676451379 487851720 /nfs/dbraw/zinc/85/17/20/487851720.db2.gz XABYIISZELDWDM-UHFFFAOYSA-N 1 2 249.318 0.032 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cocn1 ZINC000681746705 487851431 /nfs/dbraw/zinc/85/14/31/487851431.db2.gz XDWDUSWOPNOBRT-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681746710 487851502 /nfs/dbraw/zinc/85/15/02/487851502.db2.gz XLZGYYNSGGTKOX-BBBLOLIVSA-N 1 2 219.288 0.970 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cncc(F)c2)C1 ZINC000681751213 487853307 /nfs/dbraw/zinc/85/33/07/487853307.db2.gz HBWXJSTVLXQWEB-PHIMTYICSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cncc(F)c2)C1 ZINC000681751213 487853310 /nfs/dbraw/zinc/85/33/10/487853310.db2.gz HBWXJSTVLXQWEB-PHIMTYICSA-N 1 2 226.251 0.148 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cn[nH]c1 ZINC000681754516 487854650 /nfs/dbraw/zinc/85/46/50/487854650.db2.gz VDQTYQTVCWHUPP-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000681754516 487854658 /nfs/dbraw/zinc/85/46/58/487854658.db2.gz VDQTYQTVCWHUPP-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000674469627 487855225 /nfs/dbraw/zinc/85/52/25/487855225.db2.gz UBDZTOHSHHLZGA-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1nnnn1C1CC1 ZINC000674469627 487855231 /nfs/dbraw/zinc/85/52/31/487855231.db2.gz UBDZTOHSHHLZGA-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO COCCn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000558644182 322952988 /nfs/dbraw/zinc/95/29/88/322952988.db2.gz LEMIZHFOYONOHB-UHFFFAOYSA-N 1 2 249.274 0.365 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCCOC1 ZINC000558704502 322954145 /nfs/dbraw/zinc/95/41/45/322954145.db2.gz GXCARCZNEPZNEM-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H]1COCCCN1c1[nH+]cnc2c1cnn2C ZINC000676492943 487857188 /nfs/dbraw/zinc/85/71/88/487857188.db2.gz ZLXWNJOYJPFTEB-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1O ZINC000395413928 487858375 /nfs/dbraw/zinc/85/83/75/487858375.db2.gz JAWFTSKPNYBORR-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1O ZINC000395413928 487858378 /nfs/dbraw/zinc/85/83/78/487858378.db2.gz JAWFTSKPNYBORR-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO COC[C@@H](CNc1cc(CO)cc[nH+]1)OC ZINC000234766948 487872619 /nfs/dbraw/zinc/87/26/19/487872619.db2.gz AKWAMCAKQHPJBK-SNVBAGLBSA-N 1 2 226.276 0.647 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1csnn1 ZINC000306967888 487875812 /nfs/dbraw/zinc/87/58/12/487875812.db2.gz NSXQFCZPSYTABN-APPZFPTMSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1csnn1 ZINC000306967888 487875817 /nfs/dbraw/zinc/87/58/17/487875817.db2.gz NSXQFCZPSYTABN-APPZFPTMSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](CNC(=O)c1ncc[nH]1)Cn1cc[nH+]c1 ZINC000669018833 487879555 /nfs/dbraw/zinc/87/95/55/487879555.db2.gz QKDJOGOFQXHCST-VIFPVBQESA-N 1 2 233.275 0.672 20 0 BCADLO CCC[N@H+](CCO)Cc1nc(CC)no1 ZINC000048065626 487882153 /nfs/dbraw/zinc/88/21/53/487882153.db2.gz YKMYGEVUUQZDEX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc(CC)no1 ZINC000048065626 487882157 /nfs/dbraw/zinc/88/21/57/487882157.db2.gz YKMYGEVUUQZDEX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000498322704 487885883 /nfs/dbraw/zinc/88/58/83/487885883.db2.gz ABSLWFOMBKSPQW-BBBLOLIVSA-N 1 2 235.287 0.778 20 0 BCADLO CCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035779 487887073 /nfs/dbraw/zinc/88/70/73/487887073.db2.gz BDFQKPRLBKGRCC-UHFFFAOYSA-N 1 2 200.326 0.785 20 0 BCADLO CCCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682035779 487887078 /nfs/dbraw/zinc/88/70/78/487887078.db2.gz BDFQKPRLBKGRCC-UHFFFAOYSA-N 1 2 200.326 0.785 20 0 BCADLO CCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000121186349 487890143 /nfs/dbraw/zinc/89/01/43/487890143.db2.gz OKBHOCXDGDDVLC-SNVBAGLBSA-N 1 2 203.282 0.954 20 0 BCADLO CNC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000676706328 487896227 /nfs/dbraw/zinc/89/62/27/487896227.db2.gz PHOVJDXWFBCGIJ-UHFFFAOYSA-N 1 2 244.298 0.708 20 0 BCADLO Cc1nnc(C[N@H+]2CCCOC[C@H]2C)n1C ZINC000676713984 487901953 /nfs/dbraw/zinc/90/19/53/487901953.db2.gz UXANUWHNSUVFFI-SECBINFHSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCOC[C@H]2C)n1C ZINC000676713984 487901956 /nfs/dbraw/zinc/90/19/56/487901956.db2.gz UXANUWHNSUVFFI-SECBINFHSA-N 1 2 224.308 0.734 20 0 BCADLO CCC[C@H](O)CC(=O)NCCn1cc[nH+]c1 ZINC000676738764 487910043 /nfs/dbraw/zinc/91/00/43/487910043.db2.gz HHIAMHIQZGJNKC-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668543595 487916829 /nfs/dbraw/zinc/91/68/29/487916829.db2.gz XNNLKJWWNQAANS-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668543595 487916836 /nfs/dbraw/zinc/91/68/36/487916836.db2.gz XNNLKJWWNQAANS-CMPLNLGQSA-N 1 2 248.330 0.819 20 0 BCADLO COC[C@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682164933 487921534 /nfs/dbraw/zinc/92/15/34/487921534.db2.gz DAWNEJDXOBQDKN-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682164933 487921537 /nfs/dbraw/zinc/92/15/37/487921537.db2.gz DAWNEJDXOBQDKN-RKDXNWHRSA-N 1 2 223.263 0.971 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795536 487930241 /nfs/dbraw/zinc/93/02/41/487930241.db2.gz LZOVGZXENXCGPY-NSHDSACASA-N 1 2 247.302 0.025 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676795536 487930244 /nfs/dbraw/zinc/93/02/44/487930244.db2.gz LZOVGZXENXCGPY-NSHDSACASA-N 1 2 247.302 0.025 20 0 BCADLO O[C@H](Cn1cccn1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676795536 487930246 /nfs/dbraw/zinc/93/02/46/487930246.db2.gz LZOVGZXENXCGPY-NSHDSACASA-N 1 2 247.302 0.025 20 0 BCADLO O[C@H](Cn1cccn1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676795536 487930249 /nfs/dbraw/zinc/93/02/49/487930249.db2.gz LZOVGZXENXCGPY-NSHDSACASA-N 1 2 247.302 0.025 20 0 BCADLO C[C@@H]1[N@H+](Cc2nc(=O)n(C)[nH]2)CCOC1(C)C ZINC000408195837 487936572 /nfs/dbraw/zinc/93/65/72/487936572.db2.gz VLCXTELWDSIGSZ-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@@H]1[N@@H+](Cc2nc(=O)n(C)[nH]2)CCOC1(C)C ZINC000408195837 487936575 /nfs/dbraw/zinc/93/65/75/487936575.db2.gz VLCXTELWDSIGSZ-QMMMGPOBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@@H](NC(=O)Nc1ncn(C)n1)c1[nH+]ccn1C ZINC000667138298 487944826 /nfs/dbraw/zinc/94/48/26/487944826.db2.gz BXEPCMZCZVLTNN-SSDOTTSWSA-N 1 2 249.278 0.431 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943268 487950690 /nfs/dbraw/zinc/95/06/90/487950690.db2.gz GJQGEKOCGVEJTP-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943268 487950692 /nfs/dbraw/zinc/95/06/92/487950692.db2.gz GJQGEKOCGVEJTP-GARJFASQSA-N 1 2 242.319 0.001 20 0 BCADLO Cc1nnc(C[NH+]2CC(C)(C(N)=O)C2)n1C1CC1 ZINC000569453251 322966521 /nfs/dbraw/zinc/96/65/21/322966521.db2.gz UKORLOYDPDCRKL-UHFFFAOYSA-N 1 2 249.318 0.229 20 0 BCADLO OC[C@H]1CCN(c2cccc[nH+]2)C[C@@H]1O ZINC000569519056 322968707 /nfs/dbraw/zinc/96/87/07/322968707.db2.gz YOPBYVFWQLVCMJ-ZJUUUORDSA-N 1 2 208.261 0.261 20 0 BCADLO Cn1nnc(C[NH2+][C@H](c2cccnc2)C2CC2)n1 ZINC000559727299 322979509 /nfs/dbraw/zinc/97/95/09/322979509.db2.gz DCIHSPAARIGWGW-LBPRGKRZSA-N 1 2 244.302 0.846 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCSC1 ZINC000561075141 322995056 /nfs/dbraw/zinc/99/50/56/322995056.db2.gz OLNDBVNAXBEADY-SECBINFHSA-N 1 2 239.344 0.974 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000561301695 322999109 /nfs/dbraw/zinc/99/91/09/322999109.db2.gz PMPCVXFHOABRTP-JQWIXIFHSA-N 1 2 249.314 0.333 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N(C)C1 ZINC000566482739 323001298 /nfs/dbraw/zinc/00/12/98/323001298.db2.gz PZNVDQOXIDVWND-UHFFFAOYSA-N 1 2 206.249 0.329 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1ncccc1O ZINC000561950882 323009094 /nfs/dbraw/zinc/00/90/94/323009094.db2.gz YQHCYFRALMXGRV-SNVBAGLBSA-N 1 2 221.304 0.923 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1Cc1ncccc1O ZINC000561950882 323009095 /nfs/dbraw/zinc/00/90/95/323009095.db2.gz YQHCYFRALMXGRV-SNVBAGLBSA-N 1 2 221.304 0.923 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCC(C(N)=O)CC1 ZINC000562108340 323012267 /nfs/dbraw/zinc/01/22/67/323012267.db2.gz CAYMEHDUVMNOQV-UHFFFAOYSA-N 1 2 234.303 0.795 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](C(N)=O)C1 ZINC000562120773 323012381 /nfs/dbraw/zinc/01/23/81/323012381.db2.gz VKNFKJLOGPHYDD-JTQLQIEISA-N 1 2 234.303 0.795 20 0 BCADLO CCOCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427991964 323017341 /nfs/dbraw/zinc/01/73/41/323017341.db2.gz LIQOZBUCTLXIED-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638090 323019280 /nfs/dbraw/zinc/01/92/80/323019280.db2.gz WYBVVODLVNSVEM-GDPRMGEGSA-N 1 2 235.287 0.063 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638090 323019281 /nfs/dbraw/zinc/01/92/81/323019281.db2.gz WYBVVODLVNSVEM-GDPRMGEGSA-N 1 2 235.287 0.063 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CCC[C@H]2CO)on1 ZINC000562444447 323020222 /nfs/dbraw/zinc/02/02/22/323020222.db2.gz QRHJKCJPTNBDBJ-VIFPVBQESA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CCC[C@H]2CO)on1 ZINC000562444447 323020223 /nfs/dbraw/zinc/02/02/23/323020223.db2.gz QRHJKCJPTNBDBJ-VIFPVBQESA-N 1 2 224.260 0.834 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000151907540 323033022 /nfs/dbraw/zinc/03/30/22/323033022.db2.gz CJQXVPWZELUGID-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000151907540 323033023 /nfs/dbraw/zinc/03/30/23/323033023.db2.gz CJQXVPWZELUGID-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000569950333 323045659 /nfs/dbraw/zinc/04/56/59/323045659.db2.gz AWPDVVBZVRJZNZ-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCC=C(c3ccco3)C2)C(=O)N1 ZINC000569986099 323046523 /nfs/dbraw/zinc/04/65/23/323046523.db2.gz XQZRCFAJPSXCIO-JTQLQIEISA-N 1 2 246.266 0.784 20 0 BCADLO O=C1C[C@H]([N@H+]2CCC=C(c3ccco3)C2)C(=O)N1 ZINC000569986099 323046524 /nfs/dbraw/zinc/04/65/24/323046524.db2.gz XQZRCFAJPSXCIO-JTQLQIEISA-N 1 2 246.266 0.784 20 0 BCADLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000570100433 323049776 /nfs/dbraw/zinc/04/97/76/323049776.db2.gz OOYHAQFGKGXZEL-MNOVXSKESA-N 1 2 237.303 0.767 20 0 BCADLO COc1ccc[nH+]c1N1CCC[C@@](O)(CO)C1 ZINC000313677960 323054070 /nfs/dbraw/zinc/05/40/70/323054070.db2.gz VUDKFVFIXJMPOA-LBPRGKRZSA-N 1 2 238.287 0.414 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCOCC12CC2 ZINC000570275244 323054550 /nfs/dbraw/zinc/05/45/50/323054550.db2.gz CKAJVRDVQZDREV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCOCC12CC2 ZINC000570275244 323054551 /nfs/dbraw/zinc/05/45/51/323054551.db2.gz CKAJVRDVQZDREV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H](O)C2(CC2)C1 ZINC000570583184 323063967 /nfs/dbraw/zinc/06/39/67/323063967.db2.gz XOQFVLVSZHYFKV-SSDOTTSWSA-N 1 2 236.275 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H](O)C2(CC2)C1 ZINC000570583184 323063968 /nfs/dbraw/zinc/06/39/68/323063968.db2.gz XOQFVLVSZHYFKV-SSDOTTSWSA-N 1 2 236.275 0.029 20 0 BCADLO CC(C)(NC(=O)Cc1cc[nH]n1)c1[nH]cc[nH+]1 ZINC000570729409 323068810 /nfs/dbraw/zinc/06/88/10/323068810.db2.gz GCWDSMQIYAMFQH-UHFFFAOYSA-N 1 2 233.275 0.727 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@]2(C)CCOC2)C1 ZINC000570749938 323069227 /nfs/dbraw/zinc/06/92/27/323069227.db2.gz YVFQERXGNOYJHN-GFCCVEGCSA-N 1 2 226.320 0.623 20 0 BCADLO NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493234362 323085648 /nfs/dbraw/zinc/08/56/48/323085648.db2.gz DLXNMYDJTUQKRX-XNPJLODASA-N 1 2 248.286 0.289 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCOCC1 ZINC000571020741 323103880 /nfs/dbraw/zinc/10/38/80/323103880.db2.gz SIUOAIYTTVKSHM-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H](CC(=O)Nc1nc[nH]n1)n1cc[nH+]c1 ZINC000563237513 323105867 /nfs/dbraw/zinc/10/58/67/323105867.db2.gz LANZSCIGELYTBY-SSDOTTSWSA-N 1 2 220.236 0.591 20 0 BCADLO Cn1ncc2c1ncnc2NCCn1cc[nH+]c1 ZINC000022000940 323106399 /nfs/dbraw/zinc/10/63/99/323106399.db2.gz XPYIJADWEJHSCY-UHFFFAOYSA-N 1 2 243.274 0.672 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC(C)(O)C3)ccn12 ZINC000565433389 323106872 /nfs/dbraw/zinc/10/68/72/323106872.db2.gz PDHCAOMIXGOGFV-UHFFFAOYSA-N 1 2 245.282 0.850 20 0 BCADLO COCCOCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563284985 323108465 /nfs/dbraw/zinc/10/84/65/323108465.db2.gz KWXYUYXIWRXFEJ-UHFFFAOYSA-N 1 2 241.291 0.424 20 0 BCADLO COC(=O)[C@](C)([NH2+]CCn1cncn1)C1CC1 ZINC000534315196 323116354 /nfs/dbraw/zinc/11/63/54/323116354.db2.gz CVBSDXPQHOJWIC-LLVKDONJSA-N 1 2 238.291 0.209 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563372114 323121741 /nfs/dbraw/zinc/12/17/41/323121741.db2.gz VJIHOBYMQKJYGV-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563372114 323121742 /nfs/dbraw/zinc/12/17/42/323121742.db2.gz VJIHOBYMQKJYGV-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@H](O)CSC)C1CC1 ZINC000309972081 323122695 /nfs/dbraw/zinc/12/26/95/323122695.db2.gz PZRMUCGXZDBESY-ONGXEEELSA-N 1 2 247.360 0.642 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCCc2c[nH]nn2)C1 ZINC000563439215 323125574 /nfs/dbraw/zinc/12/55/74/323125574.db2.gz LFTBVEDSWXNVLL-JTQLQIEISA-N 1 2 242.348 0.411 20 0 BCADLO C[N@H+]1CCO[C@H](CSCCc2c[nH]nn2)C1 ZINC000563439215 323125575 /nfs/dbraw/zinc/12/55/75/323125575.db2.gz LFTBVEDSWXNVLL-JTQLQIEISA-N 1 2 242.348 0.411 20 0 BCADLO CC1(C)C[C@@H]([NH2+]Cc2nc3ncccn3n2)CO1 ZINC000563443124 323126858 /nfs/dbraw/zinc/12/68/58/323126858.db2.gz CNTVMRQOZRRCGB-SECBINFHSA-N 1 2 247.302 0.781 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCC1=O ZINC000563468519 323127625 /nfs/dbraw/zinc/12/76/25/323127625.db2.gz UYOKGBXTVFAQRU-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCC1=O ZINC000563468519 323127626 /nfs/dbraw/zinc/12/76/26/323127626.db2.gz UYOKGBXTVFAQRU-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO Cn1cccc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152111622 323127987 /nfs/dbraw/zinc/12/79/87/323127987.db2.gz JFAABMUOOJUTFV-RYUDHWBXSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1cccc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152111622 323127988 /nfs/dbraw/zinc/12/79/88/323127988.db2.gz JFAABMUOOJUTFV-RYUDHWBXSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152111549 323128080 /nfs/dbraw/zinc/12/80/80/323128080.db2.gz JFAABMUOOJUTFV-NEPJUHHUSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152111549 323128081 /nfs/dbraw/zinc/12/80/81/323128081.db2.gz JFAABMUOOJUTFV-NEPJUHHUSA-N 1 2 249.314 0.180 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000152184281 323132497 /nfs/dbraw/zinc/13/24/97/323132497.db2.gz GNYFOUASTOVOAQ-JTQLQIEISA-N 1 2 245.319 0.723 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000152209012 323133454 /nfs/dbraw/zinc/13/34/54/323133454.db2.gz LDEZTJUOLPRNJZ-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCCCC1 ZINC000571081427 323135054 /nfs/dbraw/zinc/13/50/54/323135054.db2.gz AOUKCMZKUWGXDF-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCCCC1 ZINC000571081427 323135055 /nfs/dbraw/zinc/13/50/55/323135055.db2.gz AOUKCMZKUWGXDF-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO C[C@@H]1C[N@H+](CCCC(=O)N(C)C)CC[S@@]1=O ZINC000571101840 323135521 /nfs/dbraw/zinc/13/55/21/323135521.db2.gz LFQYVNBBTCEWSY-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H]1C[N@@H+](CCCC(=O)N(C)C)CC[S@@]1=O ZINC000571101840 323135522 /nfs/dbraw/zinc/13/55/22/323135522.db2.gz LFQYVNBBTCEWSY-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000571104187 323135596 /nfs/dbraw/zinc/13/55/96/323135596.db2.gz MOTASQRUHXURKA-NSHDSACASA-N 1 2 241.379 0.927 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000571104187 323135597 /nfs/dbraw/zinc/13/55/97/323135597.db2.gz MOTASQRUHXURKA-NSHDSACASA-N 1 2 241.379 0.927 20 0 BCADLO CC(C)C(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000571135928 323136287 /nfs/dbraw/zinc/13/62/87/323136287.db2.gz VEFPSTRFPRMBBD-SNVBAGLBSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000571135928 323136288 /nfs/dbraw/zinc/13/62/88/323136288.db2.gz VEFPSTRFPRMBBD-SNVBAGLBSA-N 1 2 228.336 0.868 20 0 BCADLO [NH3+][C@@H](C(=O)NCC1CC1)c1cscn1 ZINC000571276725 323139851 /nfs/dbraw/zinc/13/98/51/323139851.db2.gz NAJOCLQOYCIRNS-MRVPVSSYSA-N 1 2 211.290 0.669 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)C1(CO)CC1 ZINC000571279939 323139961 /nfs/dbraw/zinc/13/99/61/323139961.db2.gz FDLXUMYGRVPAMY-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)C1(CO)CC1 ZINC000571279939 323139962 /nfs/dbraw/zinc/13/99/62/323139962.db2.gz FDLXUMYGRVPAMY-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO CCCCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC000571386197 323143079 /nfs/dbraw/zinc/14/30/79/323143079.db2.gz YDMLCNLBVNUISP-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cn1cncc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571530077 323147030 /nfs/dbraw/zinc/14/70/30/323147030.db2.gz JIVPZSHMSKVECD-UHFFFAOYSA-N 1 2 233.275 0.808 20 0 BCADLO COC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000571629338 323149944 /nfs/dbraw/zinc/14/99/44/323149944.db2.gz YLEHINSHUMGMLR-VIFPVBQESA-N 1 2 225.292 0.456 20 0 BCADLO COC(=O)[C@H](C)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313788 323170429 /nfs/dbraw/zinc/17/04/29/323170429.db2.gz OJCQWTVCLYTTCI-VHSXEESVSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313788 323170430 /nfs/dbraw/zinc/17/04/30/323170430.db2.gz OJCQWTVCLYTTCI-VHSXEESVSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313788 323170431 /nfs/dbraw/zinc/17/04/31/323170431.db2.gz OJCQWTVCLYTTCI-VHSXEESVSA-N 1 2 237.303 0.771 20 0 BCADLO CN(CCN1CCCC1=O)Cc1[nH]cc[nH+]1 ZINC000112703687 323171732 /nfs/dbraw/zinc/17/17/32/323171732.db2.gz DPYUOYPBPYRGIP-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)CC(=O)NC1CC1 ZINC000563754684 323176981 /nfs/dbraw/zinc/17/69/81/323176981.db2.gz KRURVJHSQUUAOQ-UHFFFAOYSA-N 1 2 234.303 0.808 20 0 BCADLO C[C@H]([NH2+]CC(=O)N1CCC1)c1ccon1 ZINC000308976618 323183138 /nfs/dbraw/zinc/18/31/38/323183138.db2.gz GVIWAIXWGUKHAL-QMMMGPOBSA-N 1 2 209.249 0.558 20 0 BCADLO O=C([C@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000535887142 323193706 /nfs/dbraw/zinc/19/37/06/323193706.db2.gz FEUIDUUEQQHNJW-SNVBAGLBSA-N 1 2 221.260 0.445 20 0 BCADLO Cn1c(=O)cccc1C(=O)NCCn1cc[nH+]c1 ZINC000535999669 323195044 /nfs/dbraw/zinc/19/50/44/323195044.db2.gz SORVOMVVOOCWMP-UHFFFAOYSA-N 1 2 246.270 0.012 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1nncs1 ZINC000530188366 323206503 /nfs/dbraw/zinc/20/65/03/323206503.db2.gz SHQKCQVSCQOKSS-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1nncs1 ZINC000530188366 323206504 /nfs/dbraw/zinc/20/65/04/323206504.db2.gz SHQKCQVSCQOKSS-ZCFIWIBFSA-N 1 2 249.299 0.549 20 0 BCADLO Cc1cc(N)nc(SCc2cn(C)nn2)[nH+]1 ZINC000230355004 323207008 /nfs/dbraw/zinc/20/70/08/323207008.db2.gz JWVWOGXXCCALGW-UHFFFAOYSA-N 1 2 236.304 0.788 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1O ZINC000395377880 323224380 /nfs/dbraw/zinc/22/43/80/323224380.db2.gz XIDNVDQPFDISPJ-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1O ZINC000395377880 323224384 /nfs/dbraw/zinc/22/43/84/323224384.db2.gz XIDNVDQPFDISPJ-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO C[N@H+](CC[C@H]1CCCO1)Cc1n[nH]c(=O)[nH]1 ZINC000526964250 323307523 /nfs/dbraw/zinc/30/75/23/323307523.db2.gz SHEXGJMLFLEZAT-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO C[N@@H+](CC[C@H]1CCCO1)Cc1n[nH]c(=O)[nH]1 ZINC000526964250 323307524 /nfs/dbraw/zinc/30/75/24/323307524.db2.gz SHEXGJMLFLEZAT-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO O=C(Nc1ccncn1)N1CCn2c[nH+]cc2C1 ZINC000563921184 323322549 /nfs/dbraw/zinc/32/25/49/323322549.db2.gz WXJMDKAJGRYQKA-UHFFFAOYSA-N 1 2 244.258 0.721 20 0 BCADLO Cc1cccnc1CCNC(=O)Cn1cc[nH+]c1 ZINC000563965995 323335320 /nfs/dbraw/zinc/33/53/20/323335320.db2.gz IKKNSKWZASSMIG-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCc2ncsc2C1 ZINC000571850195 323492751 /nfs/dbraw/zinc/49/27/51/323492751.db2.gz CCZZOPNKDONKNJ-UHFFFAOYSA-N 1 2 248.311 0.925 20 0 BCADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000572148324 323546756 /nfs/dbraw/zinc/54/67/56/323546756.db2.gz UMRBIOQRIJRCBM-QMMMGPOBSA-N 1 2 211.290 0.764 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000572180663 323560210 /nfs/dbraw/zinc/56/02/10/323560210.db2.gz LXAZZXMSMGBUEI-NWDGAFQWSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnn(C2CC2)c1 ZINC000527944800 323723202 /nfs/dbraw/zinc/72/32/02/323723202.db2.gz QEOZGTCLKVLWHA-UHFFFAOYSA-N 1 2 245.286 0.845 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H](O)Cn1ccnn1 ZINC000528034486 323742152 /nfs/dbraw/zinc/74/21/52/323742152.db2.gz YNUPCWIHUORKOG-SECBINFHSA-N 1 2 249.274 0.155 20 0 BCADLO C[C@H](CO)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667250833 487961925 /nfs/dbraw/zinc/96/19/25/487961925.db2.gz XQNBKQHFXRBCSJ-BDAKNGLRSA-N 1 2 240.307 0.503 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000537048710 324000525 /nfs/dbraw/zinc/00/05/25/324000525.db2.gz YSCYNNUQHHJUFK-SECBINFHSA-N 1 2 237.307 0.179 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000537048710 324000528 /nfs/dbraw/zinc/00/05/28/324000528.db2.gz YSCYNNUQHHJUFK-SECBINFHSA-N 1 2 237.307 0.179 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000537517279 324076339 /nfs/dbraw/zinc/07/63/39/324076339.db2.gz FTGIKMRZOVYRRW-SNVBAGLBSA-N 1 2 238.291 0.733 20 0 BCADLO CC(=O)NCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000537517279 324076341 /nfs/dbraw/zinc/07/63/41/324076341.db2.gz FTGIKMRZOVYRRW-SNVBAGLBSA-N 1 2 238.291 0.733 20 0 BCADLO CC(C)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537600832 324083082 /nfs/dbraw/zinc/08/30/82/324083082.db2.gz JGFHRUXUAMKUCS-GFCCVEGCSA-N 1 2 239.363 0.633 20 0 BCADLO Cc1ocnc1CNC(=O)NCCn1cc[nH+]c1 ZINC000537771853 324102540 /nfs/dbraw/zinc/10/25/40/324102540.db2.gz NXCFMAPFXOQOOE-UHFFFAOYSA-N 1 2 249.274 0.679 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC000523440226 324207128 /nfs/dbraw/zinc/20/71/28/324207128.db2.gz ZCRDQYHNEZBPBA-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC000523440226 324207131 /nfs/dbraw/zinc/20/71/31/324207131.db2.gz ZCRDQYHNEZBPBA-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO C[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667254492 487962761 /nfs/dbraw/zinc/96/27/61/487962761.db2.gz SKFHQHXYJUFZQX-HTQZYQBOSA-N 1 2 226.280 0.161 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cccnn1 ZINC000529446991 324301654 /nfs/dbraw/zinc/30/16/54/324301654.db2.gz LSWZODABANYQNF-UHFFFAOYSA-N 1 2 231.259 0.623 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)co1 ZINC000669956940 487962953 /nfs/dbraw/zinc/96/29/53/487962953.db2.gz HAJRXXSBNZMTDL-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)co1 ZINC000669956940 487962960 /nfs/dbraw/zinc/96/29/60/487962960.db2.gz HAJRXXSBNZMTDL-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCF)C1 ZINC000668581809 487963259 /nfs/dbraw/zinc/96/32/59/487963259.db2.gz LUBPMLUWJZLOQY-JTQLQIEISA-N 1 2 231.315 0.098 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCF)C1 ZINC000668581809 487963264 /nfs/dbraw/zinc/96/32/64/487963264.db2.gz LUBPMLUWJZLOQY-JTQLQIEISA-N 1 2 231.315 0.098 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1nncs1 ZINC000530187033 324518297 /nfs/dbraw/zinc/51/82/97/324518297.db2.gz OAMUFJAJHTVCMC-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(=O)N(C)CC ZINC000130259141 325031189 /nfs/dbraw/zinc/03/11/89/325031189.db2.gz RZLYUYZVXRFBAW-UHFFFAOYSA-N 1 2 230.308 0.350 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(=O)N(C)CC ZINC000130259141 325031192 /nfs/dbraw/zinc/03/11/92/325031192.db2.gz RZLYUYZVXRFBAW-UHFFFAOYSA-N 1 2 230.308 0.350 20 0 BCADLO O=S(=O)(C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000542982862 325066425 /nfs/dbraw/zinc/06/64/25/325066425.db2.gz VXETYOLONCONCK-UHFFFAOYSA-N 1 2 227.289 0.232 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@H]1CCOC1 ZINC000543346342 325083785 /nfs/dbraw/zinc/08/37/85/325083785.db2.gz VWCUPNXLIFUSLH-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2cccc(O)c2)nc1=O ZINC000543438161 325087980 /nfs/dbraw/zinc/08/79/80/325087980.db2.gz IKZCFWPBWMUURC-UHFFFAOYSA-N 1 2 248.286 0.446 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2cccc(O)c2)nc1=O ZINC000543438161 325087982 /nfs/dbraw/zinc/08/79/82/325087982.db2.gz IKZCFWPBWMUURC-UHFFFAOYSA-N 1 2 248.286 0.446 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000544775256 325160510 /nfs/dbraw/zinc/16/05/10/325160510.db2.gz QLJDAHTVVBQKDF-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO Cn1ccnc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000545018943 325172079 /nfs/dbraw/zinc/17/20/79/325172079.db2.gz MRYMZMJZRIJFIJ-UHFFFAOYSA-N 1 2 244.258 0.909 20 0 BCADLO Cn1ncnc1C[N@H+](C)CCn1cccn1 ZINC000075024138 325275859 /nfs/dbraw/zinc/27/58/59/325275859.db2.gz ULGQTDYYXWAANJ-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CCn1cccn1 ZINC000075024138 325275861 /nfs/dbraw/zinc/27/58/61/325275861.db2.gz ULGQTDYYXWAANJ-UHFFFAOYSA-N 1 2 220.280 0.144 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000134031470 325338821 /nfs/dbraw/zinc/33/88/21/325338821.db2.gz YHWDPCMHGGCFHL-DGCLKSJQSA-N 1 2 240.347 0.559 20 0 BCADLO Cc1cc(NC(=O)c2cnnn2C)c(C)c[nH+]1 ZINC000547318828 325340254 /nfs/dbraw/zinc/34/02/54/325340254.db2.gz WYQSSLLMHGQEEZ-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO Cc1[nH+]c2ccccn2c1CN=c1nc[nH]n1C ZINC000547342835 325345380 /nfs/dbraw/zinc/34/53/80/325345380.db2.gz YBTKDNLKFWDPMO-UHFFFAOYSA-N 1 2 242.286 0.805 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1ccncc1C#N ZINC000547501941 325365239 /nfs/dbraw/zinc/36/52/39/325365239.db2.gz JQFTZYODYZPNAB-NSHDSACASA-N 1 2 246.314 0.508 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1ccncc1C#N ZINC000547501941 325365241 /nfs/dbraw/zinc/36/52/41/325365241.db2.gz JQFTZYODYZPNAB-NSHDSACASA-N 1 2 246.314 0.508 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000547539567 325371210 /nfs/dbraw/zinc/37/12/10/325371210.db2.gz TUQBIYZJTJAKNK-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO COCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000547603918 325374151 /nfs/dbraw/zinc/37/41/51/325374151.db2.gz XANXCPOBOULZJP-UHFFFAOYSA-N 1 2 211.265 0.067 20 0 BCADLO Cc1nnc(N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000077488799 325379899 /nfs/dbraw/zinc/37/98/99/325379899.db2.gz AEBKKGPYTQPGOK-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO CC[C@H](COC)NC(=O)Cc1c[nH+]cn1C ZINC000547731587 325389671 /nfs/dbraw/zinc/38/96/71/325389671.db2.gz IGJYUJNOPNVBSQ-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547928806 325412389 /nfs/dbraw/zinc/41/23/89/325412389.db2.gz HGXPPEMVUHQPLR-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO CCOC(=O)CCNC(=O)Cc1c[nH+]cn1C ZINC000548191541 325440024 /nfs/dbraw/zinc/44/00/24/325440024.db2.gz UUXGVKJTORSNEW-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCn1cccc1 ZINC000548328788 325448609 /nfs/dbraw/zinc/44/86/09/325448609.db2.gz IKBIVBATPPYNCY-UHFFFAOYSA-N 1 2 232.287 0.581 20 0 BCADLO Cc1nc(N2C[C@H](O)CC(F)(F)C2)cc[nH+]1 ZINC000682477458 487969976 /nfs/dbraw/zinc/96/99/76/487969976.db2.gz QRIPPXGEKJMOLH-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO CC(C)(NC(=O)CCn1ccnn1)c1[nH]cc[nH+]1 ZINC000564801125 325810269 /nfs/dbraw/zinc/81/02/69/325810269.db2.gz BYPTUHCMTROFQW-UHFFFAOYSA-N 1 2 248.290 0.443 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC[C@H]2C(N)=O)cc[nH+]1 ZINC000565187046 325871441 /nfs/dbraw/zinc/87/14/41/325871441.db2.gz CQVPBTVGPMHLRQ-ZJUUUORDSA-N 1 2 233.271 0.262 20 0 BCADLO CN(C)c1cnn(Cc2ccc[nH+]c2N)c(=O)c1 ZINC000165384186 487970552 /nfs/dbraw/zinc/97/05/52/487970552.db2.gz BOHGKWZDLXGEAJ-UHFFFAOYSA-N 1 2 245.286 0.335 20 0 BCADLO CC(C)CCc1noc(C[NH2+]C(CO)CO)n1 ZINC000565608439 325934344 /nfs/dbraw/zinc/93/43/44/325934344.db2.gz VSVBTMSEMOVOCN-UHFFFAOYSA-N 1 2 243.307 0.101 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1ccncc1 ZINC000565707535 325946032 /nfs/dbraw/zinc/94/60/32/325946032.db2.gz FAKMOXMLGVSVJU-UHFFFAOYSA-N 1 2 244.298 0.717 20 0 BCADLO CCc1nnc([C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)o1 ZINC000566185799 326008462 /nfs/dbraw/zinc/00/84/62/326008462.db2.gz SNGYYISUHMPGBW-IWSPIJDZSA-N 1 2 241.291 0.696 20 0 BCADLO O=C(NCc1ccno1)[C@H]1CCc2c[nH+]cn2C1 ZINC000566293124 326029753 /nfs/dbraw/zinc/02/97/53/326029753.db2.gz ZKQKMZXEGLHIIM-VIFPVBQESA-N 1 2 246.270 0.750 20 0 BCADLO C[C@@H](CC(=O)NC[C@@H](O)C1CC1)n1cc[nH+]c1 ZINC000566331367 326034326 /nfs/dbraw/zinc/03/43/26/326034326.db2.gz LEVINXNCNRIHTK-GXSJLCMTSA-N 1 2 237.303 0.721 20 0 BCADLO C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566346805 326035499 /nfs/dbraw/zinc/03/54/99/326035499.db2.gz GPOAHPYXLTUGPR-VHSXEESVSA-N 1 2 225.292 0.673 20 0 BCADLO CCCNC(=O)CCC[N@H+](C)Cc1nnc[nH]1 ZINC000566413868 326042113 /nfs/dbraw/zinc/04/21/13/326042113.db2.gz JOKRIQKXOBXKBT-UHFFFAOYSA-N 1 2 239.323 0.543 20 0 BCADLO CCCNC(=O)CCC[N@@H+](C)Cc1nnc[nH]1 ZINC000566413868 326042114 /nfs/dbraw/zinc/04/21/14/326042114.db2.gz JOKRIQKXOBXKBT-UHFFFAOYSA-N 1 2 239.323 0.543 20 0 BCADLO CO[C@@H](C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000566430041 326045979 /nfs/dbraw/zinc/04/59/79/326045979.db2.gz GWURGTVZNCDQNH-NSHDSACASA-N 1 2 222.292 0.519 20 0 BCADLO CO[C@@H](C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000566430041 326045981 /nfs/dbraw/zinc/04/59/81/326045981.db2.gz GWURGTVZNCDQNH-NSHDSACASA-N 1 2 222.292 0.519 20 0 BCADLO C[C@H](C(=O)Nc1ncn(C)n1)[NH+]1CC(C)C1 ZINC000566460215 326051218 /nfs/dbraw/zinc/05/12/18/326051218.db2.gz IDDNQDYMCHOMSJ-MRVPVSSYSA-N 1 2 223.280 0.094 20 0 BCADLO [NH3+][C@H](C(=O)NC1CCC1)c1cscn1 ZINC000566676388 326072897 /nfs/dbraw/zinc/07/28/97/326072897.db2.gz LQSXXYQREGYGCJ-QMMMGPOBSA-N 1 2 211.290 0.812 20 0 BCADLO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000566967684 326097357 /nfs/dbraw/zinc/09/73/57/326097357.db2.gz BQRIXNXPECCREB-NKWVEPMBSA-N 1 2 217.232 0.244 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCNc1ccn(C)n1 ZINC000566985341 326100325 /nfs/dbraw/zinc/10/03/25/326100325.db2.gz FZHCRXVAPGUXGX-UHFFFAOYSA-N 1 2 246.318 0.195 20 0 BCADLO COc1ccc[nH+]c1NCCN1C(=O)CCC1=O ZINC000405373093 326112032 /nfs/dbraw/zinc/11/20/32/326112032.db2.gz DLGGDTRHTUGBOG-UHFFFAOYSA-N 1 2 249.270 0.651 20 0 BCADLO 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CC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000155926377 326214951 /nfs/dbraw/zinc/21/49/51/326214951.db2.gz VYBFLNKPNZDHCF-UHFFFAOYSA-N 1 2 212.293 0.235 20 0 BCADLO Cc1cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)no1 ZINC000567582029 326222471 /nfs/dbraw/zinc/22/24/71/326222471.db2.gz ZICWBBSUPFRBDE-MRVPVSSYSA-N 1 2 232.305 0.506 20 0 BCADLO CSC[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000567613000 326229055 /nfs/dbraw/zinc/22/90/55/326229055.db2.gz IIBYLXAUQNLRBN-RQJHMYQMSA-N 1 2 229.292 0.316 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000567615661 326230252 /nfs/dbraw/zinc/23/02/52/326230252.db2.gz CKQRJEURLARHJU-CBAPKCEASA-N 1 2 223.276 0.554 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCOC2 ZINC000567626501 326231838 /nfs/dbraw/zinc/23/18/38/326231838.db2.gz OGVYALAIIQHBLW-JTQLQIEISA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCOC2 ZINC000567626501 326231839 /nfs/dbraw/zinc/23/18/39/326231839.db2.gz OGVYALAIIQHBLW-JTQLQIEISA-N 1 2 249.314 0.837 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156517449 326234617 /nfs/dbraw/zinc/23/46/17/326234617.db2.gz BEJIOEQNMZUFMM-NXEZZACHSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156517449 326234620 /nfs/dbraw/zinc/23/46/20/326234620.db2.gz BEJIOEQNMZUFMM-NXEZZACHSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156517574 326234672 /nfs/dbraw/zinc/23/46/72/326234672.db2.gz BEJIOEQNMZUFMM-VHSXEESVSA-N 1 2 214.309 0.620 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156517574 326234673 /nfs/dbraw/zinc/23/46/73/326234673.db2.gz BEJIOEQNMZUFMM-VHSXEESVSA-N 1 2 214.309 0.620 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCc2c[nH]nc2C1 ZINC000567659692 326240346 /nfs/dbraw/zinc/24/03/46/326240346.db2.gz UZNNCHNVNJHABJ-JTQLQIEISA-N 1 2 245.286 0.280 20 0 BCADLO C[C@@H](O)[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000567686059 326245123 /nfs/dbraw/zinc/24/51/23/326245123.db2.gz VRMRQVWWMKQAHR-RNFRBKRXSA-N 1 2 211.265 0.806 20 0 BCADLO OCC[C@@H]([NH2+]CC1(O)CCC1)C(F)F ZINC000567873075 326274511 /nfs/dbraw/zinc/27/45/11/326274511.db2.gz MSIUBRZTHXANLY-SSDOTTSWSA-N 1 2 209.236 0.507 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567974570 326289724 /nfs/dbraw/zinc/28/97/24/326289724.db2.gz BFBAFJBFDTXLRQ-SECBINFHSA-N 1 2 243.270 0.874 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000567976953 326290150 /nfs/dbraw/zinc/29/01/50/326290150.db2.gz WHCVCZQERNKRKG-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO CCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568014976 326296106 /nfs/dbraw/zinc/29/61/06/326296106.db2.gz UNYBVDNMWJMLOW-JTQLQIEISA-N 1 2 225.292 0.675 20 0 BCADLO CC[C@@](C)(CO)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000568104755 326308628 /nfs/dbraw/zinc/30/86/28/326308628.db2.gz DNLXUUSWGBIFKI-PWSUYJOCSA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H](C(=O)NCC(F)F)[NH+]1CC(C)C1 ZINC000568201245 326325172 /nfs/dbraw/zinc/32/51/72/326325172.db2.gz KTTKWIFZZGKRJL-SSDOTTSWSA-N 1 2 206.236 0.708 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568209284 326326802 /nfs/dbraw/zinc/32/68/02/326326802.db2.gz UAMCMXZKQSZIJA-ZWNMCFTASA-N 1 2 240.347 0.772 20 0 BCADLO CNC(=O)C1CN(c2nc(C)[nH+]cc2C)C1 ZINC000568250215 326335081 /nfs/dbraw/zinc/33/50/81/326335081.db2.gz JBBYVJYBUFKEJW-UHFFFAOYSA-N 1 2 220.276 0.276 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C2CC2)C1 ZINC000568378972 326351066 /nfs/dbraw/zinc/35/10/66/326351066.db2.gz DLSFVGVDBJLKBC-LLVKDONJSA-N 1 2 235.287 0.521 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)CC12CC2 ZINC000569070396 326388531 /nfs/dbraw/zinc/38/85/31/326388531.db2.gz CSUFSGALXDQZLX-GFCCVEGCSA-N 1 2 248.330 0.645 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)CC12CC2 ZINC000569070396 326388532 /nfs/dbraw/zinc/38/85/32/326388532.db2.gz CSUFSGALXDQZLX-GFCCVEGCSA-N 1 2 248.330 0.645 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC12CC2 ZINC000569212598 326394494 /nfs/dbraw/zinc/39/44/94/326394494.db2.gz WAQIAKWBAGIGRB-VIFPVBQESA-N 1 2 220.276 0.735 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ccnc1 ZINC000572777595 326410353 /nfs/dbraw/zinc/41/03/53/326410353.db2.gz KUJBXRLNPACVMP-SNVBAGLBSA-N 1 2 233.275 0.285 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682511161 487973059 /nfs/dbraw/zinc/97/30/59/487973059.db2.gz DSTLJNOJXZOPKB-SNVBAGLBSA-N 1 2 249.314 0.334 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682513198 487973960 /nfs/dbraw/zinc/97/39/60/487973960.db2.gz UYCSTVWOFRGRDH-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@H](NC(=O)NCC(C)(C)O)c1[nH+]ccn1C ZINC000667255780 487976005 /nfs/dbraw/zinc/97/60/05/487976005.db2.gz XCWLQEUGWXDGED-QMMMGPOBSA-N 1 2 240.307 0.551 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccon1 ZINC000672147851 487979749 /nfs/dbraw/zinc/97/97/49/487979749.db2.gz XLBYSVPVQRDMHF-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@@H](O)CC(F)(F)C1 ZINC000682543739 487982054 /nfs/dbraw/zinc/98/20/54/487982054.db2.gz KSACYCPPBPINBK-QMMMGPOBSA-N 1 2 231.246 0.622 20 0 BCADLO CC[C@@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544923 487983853 /nfs/dbraw/zinc/98/38/53/487983853.db2.gz YRTKAWHRTCWYHP-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544923 487983860 /nfs/dbraw/zinc/98/38/60/487983860.db2.gz YRTKAWHRTCWYHP-SFYZADRCSA-N 1 2 209.236 0.459 20 0 BCADLO O[C@@H]1CN(CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545935 487984820 /nfs/dbraw/zinc/98/48/20/487984820.db2.gz GUCBMIIDHCODAR-JTQLQIEISA-N 1 2 245.273 0.975 20 0 BCADLO OCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546465 487984914 /nfs/dbraw/zinc/98/49/14/487984914.db2.gz CWLRNTWAOZKKBX-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546465 487984918 /nfs/dbraw/zinc/98/49/18/487984918.db2.gz CWLRNTWAOZKKBX-SECBINFHSA-N 1 2 223.263 0.851 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668598693 487986801 /nfs/dbraw/zinc/98/68/01/487986801.db2.gz MKAZPLAMIQOONM-WDEREUQCSA-N 1 2 207.277 0.675 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668598693 487986806 /nfs/dbraw/zinc/98/68/06/487986806.db2.gz MKAZPLAMIQOONM-WDEREUQCSA-N 1 2 207.277 0.675 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682587570 487994487 /nfs/dbraw/zinc/99/44/87/487994487.db2.gz ARDQHKDQZZJVBI-QMMMGPOBSA-N 1 2 245.229 0.112 20 0 BCADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1[nH]cc[nH+]1 ZINC000668604322 487996965 /nfs/dbraw/zinc/99/69/65/487996965.db2.gz NPOYZTDWPPKSQX-UFBFGSQYSA-N 1 2 235.287 0.841 20 0 BCADLO c1nc(N2C[C@@H]3COC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665716920 487998223 /nfs/dbraw/zinc/99/82/23/487998223.db2.gz VBPVWQASHNTXOE-DTORHVGOSA-N 1 2 248.286 0.364 20 0 BCADLO c1nc2c(c(N3C[C@@H]4COC[C@@H]4C3)[nH+]1)OCCN2 ZINC000665716920 487998230 /nfs/dbraw/zinc/99/82/30/487998230.db2.gz VBPVWQASHNTXOE-DTORHVGOSA-N 1 2 248.286 0.364 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148378 487999298 /nfs/dbraw/zinc/99/92/98/487999298.db2.gz MVNUMUBOYWTTQE-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148377 487999386 /nfs/dbraw/zinc/99/93/86/487999386.db2.gz MVNUMUBOYWTTQE-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C ZINC000671193249 488001882 /nfs/dbraw/zinc/00/18/82/488001882.db2.gz PECGMKVNBFECLB-KXUCPTDWSA-N 1 2 222.292 0.979 20 0 BCADLO CCC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661743040 488004576 /nfs/dbraw/zinc/00/45/76/488004576.db2.gz CDSNUCOEONMCCY-JTQLQIEISA-N 1 2 212.297 0.408 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661743040 488004581 /nfs/dbraw/zinc/00/45/81/488004581.db2.gz CDSNUCOEONMCCY-JTQLQIEISA-N 1 2 212.297 0.408 20 0 BCADLO COCC[N@H+](CCO)Cc1cc(OC)ns1 ZINC000401101965 488007449 /nfs/dbraw/zinc/00/74/49/488007449.db2.gz FTYLDIYAHGHTJX-UHFFFAOYSA-N 1 2 246.332 0.592 20 0 BCADLO COCC[N@@H+](CCO)Cc1cc(OC)ns1 ZINC000401101965 488007453 /nfs/dbraw/zinc/00/74/53/488007453.db2.gz FTYLDIYAHGHTJX-UHFFFAOYSA-N 1 2 246.332 0.592 20 0 BCADLO C[C@@](O)(CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000677306250 488011620 /nfs/dbraw/zinc/01/16/20/488011620.db2.gz HGTUFFLHEHFSGP-GFCCVEGCSA-N 1 2 237.303 0.620 20 0 BCADLO CN(CCCCO)C(=O)CCCn1cc[nH+]c1 ZINC000682688350 488017290 /nfs/dbraw/zinc/01/72/90/488017290.db2.gz WJMBFEJMGHFANU-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1[C@@H](C)C[C@@H]1C ZINC000660447815 488018529 /nfs/dbraw/zinc/01/85/29/488018529.db2.gz QHHPFIHZVLZHML-AATLWQCWSA-N 1 2 233.333 0.281 20 0 BCADLO Cc1cc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000668635869 488034705 /nfs/dbraw/zinc/03/47/05/488034705.db2.gz PXIGPRGFRNPVES-URLYPYJESA-N 1 2 218.256 0.643 20 0 BCADLO CNC(=O)CCN(C)c1nc[nH+]c(C)c1OC ZINC000656118842 488050556 /nfs/dbraw/zinc/05/05/56/488050556.db2.gz ZWWGJCYMBPVTSA-UHFFFAOYSA-N 1 2 238.291 0.366 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667594072 488054817 /nfs/dbraw/zinc/05/48/17/488054817.db2.gz VDHGAAMRKCOFNB-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667594072 488054821 /nfs/dbraw/zinc/05/48/21/488054821.db2.gz VDHGAAMRKCOFNB-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO O=C1CC[N@H+](Cc2cn(C3CCC3)nn2)CCN1 ZINC000667598210 488055882 /nfs/dbraw/zinc/05/58/82/488055882.db2.gz MLXXUSUALMNEIE-UHFFFAOYSA-N 1 2 249.318 0.325 20 0 BCADLO O=C1CC[N@@H+](Cc2cn(C3CCC3)nn2)CCN1 ZINC000667598210 488055884 /nfs/dbraw/zinc/05/58/84/488055884.db2.gz MLXXUSUALMNEIE-UHFFFAOYSA-N 1 2 249.318 0.325 20 0 BCADLO Cc1cc(N(C)[C@@H]2CCNC2=O)nc[nH+]1 ZINC000677510896 488060654 /nfs/dbraw/zinc/06/06/54/488060654.db2.gz LSMUSUDQMJGTME-MRVPVSSYSA-N 1 2 206.249 0.110 20 0 BCADLO CCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078776 488062134 /nfs/dbraw/zinc/06/21/34/488062134.db2.gz WUASEPISCXJDPW-UHFFFAOYSA-N 1 2 208.265 0.711 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnco1 ZINC000677516054 488062570 /nfs/dbraw/zinc/06/25/70/488062570.db2.gz CBNPJCBMPUVPNB-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000365310439 488064466 /nfs/dbraw/zinc/06/44/66/488064466.db2.gz GFWLGSZHDVBLDG-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000365310439 488064467 /nfs/dbraw/zinc/06/44/67/488064467.db2.gz GFWLGSZHDVBLDG-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682491493 488071089 /nfs/dbraw/zinc/07/10/89/488071089.db2.gz HBPNDBJBPOWQOQ-NXEZZACHSA-N 1 2 223.276 0.427 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667653361 488075544 /nfs/dbraw/zinc/07/55/44/488075544.db2.gz YUIJVAQANZARQL-BDAKNGLRSA-N 1 2 248.286 0.352 20 0 BCADLO C[C@H](NC(=O)c1cnco1)[C@@H]1C[N@H+](C)CCO1 ZINC000677583008 488079825 /nfs/dbraw/zinc/07/98/25/488079825.db2.gz SOSVEYOLKKLMTE-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1cnco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677583008 488079831 /nfs/dbraw/zinc/07/98/31/488079831.db2.gz SOSVEYOLKKLMTE-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667688408 488087608 /nfs/dbraw/zinc/08/76/08/488087608.db2.gz QQJRGDAUOHHZSG-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667688408 488087613 /nfs/dbraw/zinc/08/76/13/488087613.db2.gz QQJRGDAUOHHZSG-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO Cc1cc(NC(=O)COCc2[nH]cc[nH+]2)n(C)n1 ZINC000677646076 488087727 /nfs/dbraw/zinc/08/77/27/488087727.db2.gz SZOCVYBOAFYGGU-UHFFFAOYSA-N 1 2 249.274 0.607 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ncccn1 ZINC000683019327 488095333 /nfs/dbraw/zinc/09/53/33/488095333.db2.gz QEHJLGGZOSJDMP-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ncccn1 ZINC000683019327 488095338 /nfs/dbraw/zinc/09/53/38/488095338.db2.gz QEHJLGGZOSJDMP-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000683019917 488096119 /nfs/dbraw/zinc/09/61/19/488096119.db2.gz XJYZXCBSLZZZOJ-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000683019917 488096123 /nfs/dbraw/zinc/09/61/23/488096123.db2.gz XJYZXCBSLZZZOJ-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO CC(C)n1cc(C[N@H+](C)CCCO)nn1 ZINC000348289555 488098224 /nfs/dbraw/zinc/09/82/24/488098224.db2.gz KKKQQJOQMZSZBP-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)CCCO)nn1 ZINC000348289555 488098230 /nfs/dbraw/zinc/09/82/30/488098230.db2.gz KKKQQJOQMZSZBP-UHFFFAOYSA-N 1 2 212.297 0.673 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)on1 ZINC000677715634 488099057 /nfs/dbraw/zinc/09/90/57/488099057.db2.gz WWSWWADZWQYDKZ-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)on1 ZINC000677715634 488099064 /nfs/dbraw/zinc/09/90/64/488099064.db2.gz WWSWWADZWQYDKZ-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)n1C1CC1 ZINC000677728712 488106009 /nfs/dbraw/zinc/10/60/09/488106009.db2.gz NMDYJYRVKNOSPP-LDYMZIIASA-N 1 2 236.319 0.877 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1C1CC1 ZINC000677728712 488106015 /nfs/dbraw/zinc/10/60/15/488106015.db2.gz NMDYJYRVKNOSPP-LDYMZIIASA-N 1 2 236.319 0.877 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)n1 ZINC000683097174 488107919 /nfs/dbraw/zinc/10/79/19/488107919.db2.gz IIUXTHNLHATVEU-DTORHVGOSA-N 1 2 241.291 0.478 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)n1 ZINC000683097174 488107922 /nfs/dbraw/zinc/10/79/22/488107922.db2.gz IIUXTHNLHATVEU-DTORHVGOSA-N 1 2 241.291 0.478 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677732282 488109748 /nfs/dbraw/zinc/10/97/48/488109748.db2.gz MTXJZOPVYMGOCY-RXMQYKEDSA-N 1 2 244.249 0.123 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677732282 488109750 /nfs/dbraw/zinc/10/97/50/488109750.db2.gz MTXJZOPVYMGOCY-RXMQYKEDSA-N 1 2 244.249 0.123 20 0 BCADLO COCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672153660 487536563 /nfs/dbraw/zinc/53/65/63/487536563.db2.gz AAXRGBVSBMYFQT-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677735858 488114046 /nfs/dbraw/zinc/11/40/46/488114046.db2.gz VHCXDORJIMBLJD-ZCFIWIBFSA-N 1 2 217.223 0.297 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677735858 488114049 /nfs/dbraw/zinc/11/40/49/488114049.db2.gz VHCXDORJIMBLJD-ZCFIWIBFSA-N 1 2 217.223 0.297 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677736606 488113840 /nfs/dbraw/zinc/11/38/40/488113840.db2.gz UUBAEXFZCBBCPL-ZETCQYMHSA-N 1 2 218.247 0.981 20 0 BCADLO C[C@H](CO)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546137 488114156 /nfs/dbraw/zinc/11/41/56/488114156.db2.gz JTEGIWKNBLGPOT-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546137 488114161 /nfs/dbraw/zinc/11/41/61/488114161.db2.gz JTEGIWKNBLGPOT-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677735615 488114607 /nfs/dbraw/zinc/11/46/07/488114607.db2.gz FHCLEDCRCFESPA-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677735615 488114613 /nfs/dbraw/zinc/11/46/13/488114613.db2.gz FHCLEDCRCFESPA-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)n1C ZINC000041979653 488128520 /nfs/dbraw/zinc/12/85/20/488128520.db2.gz GNHYMJGKUHLFKM-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnn1CC1CC1 ZINC000668789542 487538780 /nfs/dbraw/zinc/53/87/80/487538780.db2.gz YKYAFANKULYIHA-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000668789542 487538783 /nfs/dbraw/zinc/53/87/83/487538783.db2.gz YKYAFANKULYIHA-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1oc(C)nc1C ZINC000685561590 487543302 /nfs/dbraw/zinc/54/33/02/487543302.db2.gz UFQMWYIXJBKLGV-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1oc(C)nc1C ZINC000685561590 487543306 /nfs/dbraw/zinc/54/33/06/487543306.db2.gz UFQMWYIXJBKLGV-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000387916265 487543541 /nfs/dbraw/zinc/54/35/41/487543541.db2.gz WXASBYFIYNOEGT-SCZZXKLOSA-N 1 2 208.261 0.391 20 0 BCADLO COc1ccc2c(c1)CC[N@@H+](CC(N)=O)C2 ZINC000074448469 487544897 /nfs/dbraw/zinc/54/48/97/487544897.db2.gz KMBPEBCXKMFEBN-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO COc1ccc2c(c1)CC[N@H+](CC(N)=O)C2 ZINC000074448469 487544908 /nfs/dbraw/zinc/54/49/08/487544908.db2.gz KMBPEBCXKMFEBN-UHFFFAOYSA-N 1 2 220.272 0.539 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791602 487544851 /nfs/dbraw/zinc/54/48/51/487544851.db2.gz RPNGLBBWTAZBEW-UHFFFAOYSA-N 1 2 230.275 0.660 20 0 BCADLO C=Cn1cc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791602 487544859 /nfs/dbraw/zinc/54/48/59/487544859.db2.gz RPNGLBBWTAZBEW-UHFFFAOYSA-N 1 2 230.275 0.660 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cncn1C)CC2 ZINC000685463037 487530680 /nfs/dbraw/zinc/53/06/80/487530680.db2.gz HEBGTDAVIURWDC-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)Cn1cccn1 ZINC000670983106 487532977 /nfs/dbraw/zinc/53/29/77/487532977.db2.gz HCSMCENEAVHPLC-JTQLQIEISA-N 1 2 235.291 0.099 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)Cn1cccn1 ZINC000670983106 487532979 /nfs/dbraw/zinc/53/29/79/487532979.db2.gz HCSMCENEAVHPLC-JTQLQIEISA-N 1 2 235.291 0.099 20 0 BCADLO CO[C@H](C)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000679855132 487473869 /nfs/dbraw/zinc/47/38/69/487473869.db2.gz RCIPNJKVFSSOFC-VXGBXAGGSA-N 1 2 228.336 0.428 20 0 BCADLO C[N@H+](CC(=O)NCc1ccco1)Cc1cn[nH]c1 ZINC000673927653 487484371 /nfs/dbraw/zinc/48/43/71/487484371.db2.gz LCCXTQYKWSYEDD-UHFFFAOYSA-N 1 2 248.286 0.751 20 0 BCADLO C[N@@H+](CC(=O)NCc1ccco1)Cc1cn[nH]c1 ZINC000673927653 487484377 /nfs/dbraw/zinc/48/43/77/487484377.db2.gz LCCXTQYKWSYEDD-UHFFFAOYSA-N 1 2 248.286 0.751 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncnn1CC ZINC000231849709 487482348 /nfs/dbraw/zinc/48/23/48/487482348.db2.gz GWFGLUJERHBAMS-SECBINFHSA-N 1 2 239.323 0.254 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cocn1 ZINC000673934546 487483914 /nfs/dbraw/zinc/48/39/14/487483914.db2.gz JOKAADLWXZHUMC-UHFFFAOYSA-N 1 2 205.173 0.449 20 0 BCADLO Cc1nccc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000673916882 487478138 /nfs/dbraw/zinc/47/81/38/487478138.db2.gz SFZOBCISNFTUPB-UHFFFAOYSA-N 1 2 230.227 0.560 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1csnn1)CC2 ZINC000679894848 487480563 /nfs/dbraw/zinc/48/05/63/487480563.db2.gz PELVAHIZBKOZKZ-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000685002103 487488957 /nfs/dbraw/zinc/48/89/57/487488957.db2.gz VCJOFAVWVMRYRS-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000685002103 487488959 /nfs/dbraw/zinc/48/89/59/487488959.db2.gz VCJOFAVWVMRYRS-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO O[C@@]1(Cn2ccnn2)CCC[N@H+](CC(F)F)C1 ZINC000671448187 487490062 /nfs/dbraw/zinc/49/00/62/487490062.db2.gz LFHIPCCOWCUMNR-JTQLQIEISA-N 1 2 246.261 0.370 20 0 BCADLO O[C@@]1(Cn2ccnn2)CCC[N@@H+](CC(F)F)C1 ZINC000671448187 487490065 /nfs/dbraw/zinc/49/00/65/487490065.db2.gz LFHIPCCOWCUMNR-JTQLQIEISA-N 1 2 246.261 0.370 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000685037291 487493667 /nfs/dbraw/zinc/49/36/67/487493667.db2.gz GBJZSTFBPSLSNJ-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000685037291 487493671 /nfs/dbraw/zinc/49/36/71/487493671.db2.gz GBJZSTFBPSLSNJ-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO COc1cc(NC(=O)[C@H]2CSC[NH2+]2)ccn1 ZINC000304528848 487510689 /nfs/dbraw/zinc/51/06/89/487510689.db2.gz GKXSPISORVZWNN-MRVPVSSYSA-N 1 2 239.300 0.691 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(CO)CC1 ZINC000118907733 487516246 /nfs/dbraw/zinc/51/62/46/487516246.db2.gz KYCUZBNNIBTVJY-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000680014645 487517725 /nfs/dbraw/zinc/51/77/25/487517725.db2.gz ZUCBSIVLFRCUAD-SSDOTTSWSA-N 1 2 213.306 0.667 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000680014645 487517729 /nfs/dbraw/zinc/51/77/29/487517729.db2.gz ZUCBSIVLFRCUAD-SSDOTTSWSA-N 1 2 213.306 0.667 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000685436559 487522260 /nfs/dbraw/zinc/52/22/60/487522260.db2.gz NMCSLCKLYJTNQO-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000685436559 487522264 /nfs/dbraw/zinc/52/22/64/487522264.db2.gz NMCSLCKLYJTNQO-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC2(CC2)C1 ZINC000334878252 487577453 /nfs/dbraw/zinc/57/74/53/487577453.db2.gz ANPJZNWNTXTPJL-JTQLQIEISA-N 1 2 224.304 0.330 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC2(CC2)C1 ZINC000334878252 487577454 /nfs/dbraw/zinc/57/74/54/487577454.db2.gz ANPJZNWNTXTPJL-JTQLQIEISA-N 1 2 224.304 0.330 20 0 BCADLO COCc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000685925359 487598279 /nfs/dbraw/zinc/59/82/79/487598279.db2.gz NULXAZUJWJOBRI-UHFFFAOYSA-N 1 2 245.286 0.840 20 0 BCADLO Cn1cc[nH+]c1CNc1ncnc2ccncc21 ZINC000337600224 487677760 /nfs/dbraw/zinc/67/77/60/487677760.db2.gz IVAALVIWUBXZDD-UHFFFAOYSA-N 1 2 240.270 1.370 20 0 BCADLO COc1ncccc1C[NH2+]Cc1ncnn1C ZINC000088572048 487733826 /nfs/dbraw/zinc/73/38/26/487733826.db2.gz VVMTWPUOPRAJPL-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668993400 487842327 /nfs/dbraw/zinc/84/23/27/487842327.db2.gz NDLORNVYQZEBEG-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668993400 487842329 /nfs/dbraw/zinc/84/23/29/487842329.db2.gz NDLORNVYQZEBEG-SECBINFHSA-N 1 2 249.314 0.546 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000681754882 487855097 /nfs/dbraw/zinc/85/50/97/487855097.db2.gz KGUKRSGUEKXZOK-VIFPVBQESA-N 1 2 235.287 0.229 20 0 BCADLO O=C(NCc1cc[nH]n1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682459111 487967834 /nfs/dbraw/zinc/96/78/34/487967834.db2.gz YIJLWGKZJPJMLV-VIFPVBQESA-N 1 2 245.286 0.485 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147997 487981003 /nfs/dbraw/zinc/98/10/03/487981003.db2.gz AUTSKOUSGNTFJS-RKDXNWHRSA-N 1 2 223.276 0.349 20 0 BCADLO CN(c1cc(CO)cc[nH+]1)[C@@H]1CCOC1 ZINC000134746357 487997887 /nfs/dbraw/zinc/99/78/87/487997887.db2.gz HRSNQDCXDPQEHT-SNVBAGLBSA-N 1 2 208.261 0.799 20 0 BCADLO CC(C)CNC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000677802291 488125646 /nfs/dbraw/zinc/12/56/46/488125646.db2.gz OZQOKPCPOFKVKB-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N3)ccc2[nH+]1 ZINC000667861615 488140308 /nfs/dbraw/zinc/14/03/08/488140308.db2.gz WSHHVQPOVOXFJZ-SECBINFHSA-N 1 2 244.254 0.470 20 0 BCADLO NC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662163392 488140952 /nfs/dbraw/zinc/14/09/52/488140952.db2.gz XCXLSTHRJWLKPV-SECBINFHSA-N 1 2 230.214 0.073 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1c(C)noc1C ZINC000339355843 488154065 /nfs/dbraw/zinc/15/40/65/488154065.db2.gz HAVWPDUVYUCMJV-JTQLQIEISA-N 1 2 241.291 0.224 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1c(C)noc1C ZINC000339355843 488154069 /nfs/dbraw/zinc/15/40/69/488154069.db2.gz HAVWPDUVYUCMJV-JTQLQIEISA-N 1 2 241.291 0.224 20 0 BCADLO CO[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000294529695 488154345 /nfs/dbraw/zinc/15/43/45/488154345.db2.gz LCESBLYJKRUULN-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000294529695 488154350 /nfs/dbraw/zinc/15/43/50/488154350.db2.gz LCESBLYJKRUULN-LLVKDONJSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cnco1 ZINC000677921554 488157194 /nfs/dbraw/zinc/15/71/94/488157194.db2.gz GYXXBKDDQDAKMJ-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cnco1 ZINC000677921554 488157198 /nfs/dbraw/zinc/15/71/98/488157198.db2.gz GYXXBKDDQDAKMJ-ZETCQYMHSA-N 1 2 232.243 0.685 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000683414391 488159404 /nfs/dbraw/zinc/15/94/04/488159404.db2.gz LGZJCXWIBHTYKX-VIFPVBQESA-N 1 2 235.287 0.039 20 0 BCADLO CCn1cc(C[NH2+]Cc2cn(CC)nn2)cn1 ZINC000404458446 488161891 /nfs/dbraw/zinc/16/18/91/488161891.db2.gz RCMLWBAKKBQRGG-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO OCC(F)(F)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667995994 488179196 /nfs/dbraw/zinc/17/91/96/488179196.db2.gz AKQIEOMYXLBTJB-RKDXNWHRSA-N 1 2 221.247 0.771 20 0 BCADLO COCc1nc(C[NH2+][C@@H](CO)C(C)(C)C)no1 ZINC000683524424 488185064 /nfs/dbraw/zinc/18/50/64/488185064.db2.gz HFRAZKGDEPAAQT-QMMMGPOBSA-N 1 2 243.307 0.713 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1nccs1 ZINC000683548134 488192965 /nfs/dbraw/zinc/19/29/65/488192965.db2.gz QCKONJICACHSLO-UHFFFAOYSA-N 1 2 221.241 0.918 20 0 BCADLO OC[C@]1([NH2+]Cc2n[nH]c3ccccc32)CCOC1 ZINC000680486162 488195540 /nfs/dbraw/zinc/19/55/40/488195540.db2.gz YMJZCZPTNMZANS-CYBMUJFWSA-N 1 2 247.298 0.804 20 0 BCADLO Cc1cc(NC(=O)NC[C@H](C)CO)c(C)c[nH+]1 ZINC000678099147 488198318 /nfs/dbraw/zinc/19/83/18/488198318.db2.gz XWUIFPSYDMZQGN-QMMMGPOBSA-N 1 2 237.303 0.870 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000678123290 488200670 /nfs/dbraw/zinc/20/06/70/488200670.db2.gz RKKMCVHOYWGLIY-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000678123290 488200673 /nfs/dbraw/zinc/20/06/73/488200673.db2.gz RKKMCVHOYWGLIY-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000668111977 488204711 /nfs/dbraw/zinc/20/47/11/488204711.db2.gz AZQYBKHFUGQGFR-LBPRGKRZSA-N 1 2 239.294 0.736 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000668111977 488204718 /nfs/dbraw/zinc/20/47/18/488204718.db2.gz AZQYBKHFUGQGFR-LBPRGKRZSA-N 1 2 239.294 0.736 20 0 BCADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1O ZINC000678178241 488210450 /nfs/dbraw/zinc/21/04/50/488210450.db2.gz WXWQSTDIVBOLNI-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000678193319 488215914 /nfs/dbraw/zinc/21/59/14/488215914.db2.gz ZABVQODVTGQCPT-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000678193319 488215919 /nfs/dbraw/zinc/21/59/19/488215919.db2.gz ZABVQODVTGQCPT-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CCn1cnc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000668193690 488219713 /nfs/dbraw/zinc/21/97/13/488219713.db2.gz MGXMYCWOXYKCJM-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCOC[C@H]1C ZINC000683784502 488220953 /nfs/dbraw/zinc/22/09/53/488220953.db2.gz GIGCDUCYJVYKOE-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCOC[C@H]1C ZINC000683784502 488220955 /nfs/dbraw/zinc/22/09/55/488220955.db2.gz GIGCDUCYJVYKOE-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO C[C@@H](CO)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000683783347 488221139 /nfs/dbraw/zinc/22/11/39/488221139.db2.gz VJXMQSSXXSUFJC-MRVPVSSYSA-N 1 2 248.277 0.603 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000683783983 488221234 /nfs/dbraw/zinc/22/12/34/488221234.db2.gz ASCWJDODLXKMHI-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1ncnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000683783983 488221235 /nfs/dbraw/zinc/22/12/35/488221235.db2.gz ASCWJDODLXKMHI-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC000678267564 488231521 /nfs/dbraw/zinc/23/15/21/488231521.db2.gz OIZBVVHJYMFETF-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC000678267564 488231523 /nfs/dbraw/zinc/23/15/23/488231523.db2.gz OIZBVVHJYMFETF-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO COCC[NH+](CCOC)Cc1cn(C)cn1 ZINC000683897261 488235584 /nfs/dbraw/zinc/23/55/84/488235584.db2.gz VTWHMFIUDJNQRO-UHFFFAOYSA-N 1 2 227.308 0.515 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2c(F)cccc2F)C1 ZINC000678298040 488238923 /nfs/dbraw/zinc/23/89/23/488238923.db2.gz OUBXOKRQQNODNU-DTORHVGOSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2c(F)cccc2F)C1 ZINC000678298040 488238926 /nfs/dbraw/zinc/23/89/26/488238926.db2.gz OUBXOKRQQNODNU-DTORHVGOSA-N 1 2 243.253 0.892 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145645 488240781 /nfs/dbraw/zinc/24/07/81/488240781.db2.gz NPOVZJCFXNMKPC-YUSALJHKSA-N 1 2 249.314 0.739 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145644 488240994 /nfs/dbraw/zinc/24/09/94/488240994.db2.gz NPOVZJCFXNMKPC-MVWJERBFSA-N 1 2 249.314 0.739 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cn(C)cn1 ZINC000683900346 488241685 /nfs/dbraw/zinc/24/16/85/488241685.db2.gz UIUSYSNCTCDNFD-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cn(C)cn1 ZINC000683900346 488241687 /nfs/dbraw/zinc/24/16/87/488241687.db2.gz UIUSYSNCTCDNFD-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO Cc1ncoc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148981 488241763 /nfs/dbraw/zinc/24/17/63/488241763.db2.gz BRUUWOGZLJADRT-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149732 488241840 /nfs/dbraw/zinc/24/18/40/488241840.db2.gz WILLJRVODCVFEC-NGZCFLSTSA-N 1 2 219.288 0.970 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCOC1 ZINC000672152427 488242002 /nfs/dbraw/zinc/24/20/02/488242002.db2.gz KBQFRKQJLGHGOB-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCOC1 ZINC000672154891 488242360 /nfs/dbraw/zinc/24/23/60/488242360.db2.gz PANNNZJFTZNEED-UWVGGRQHSA-N 1 2 235.287 0.351 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000672153498 488242812 /nfs/dbraw/zinc/24/28/12/488242812.db2.gz YUFULKFHSFENEA-JTQLQIEISA-N 1 2 245.286 0.361 20 0 BCADLO CC(C)(C(=O)N[C@H]1CCOC1)c1c[nH]c[nH+]1 ZINC000683919698 488244849 /nfs/dbraw/zinc/24/48/49/488244849.db2.gz XOUXZKMHZGBXQG-QMMMGPOBSA-N 1 2 223.276 0.592 20 0 BCADLO CCC1(O)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000683935272 488246763 /nfs/dbraw/zinc/24/67/63/488246763.db2.gz NILUEEICUHIMAP-UHFFFAOYSA-N 1 2 245.286 0.623 20 0 BCADLO Cn1c[nH+]c(/C=C/c2cc(=O)n3[nH]cnc3n2)c1 ZINC000672775384 488266329 /nfs/dbraw/zinc/26/63/29/488266329.db2.gz JNTYKDANMRWEPG-NSCUHMNNSA-N 1 2 242.242 0.322 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccc[nH]c1=O ZINC000672819504 488267169 /nfs/dbraw/zinc/26/71/69/488267169.db2.gz YZOADKCZEKUCFK-UHFFFAOYSA-N 1 2 232.243 0.702 20 0 BCADLO C[C@@H]1COCCCN1C(=O)Cc1c[nH+]cn1C ZINC000673019534 488271623 /nfs/dbraw/zinc/27/16/23/488271623.db2.gz GJLYRHMCPWMSFS-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@H]1COCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000673019816 488271644 /nfs/dbraw/zinc/27/16/44/488271644.db2.gz WGYLHKGDJXWNEB-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2(CC(F)C2)C1 ZINC000673035370 488271882 /nfs/dbraw/zinc/27/18/82/488271882.db2.gz BSZFPLUFWHPKSN-UHFFFAOYSA-N 1 2 237.278 0.923 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000673039320 488272031 /nfs/dbraw/zinc/27/20/31/488272031.db2.gz PPPMOSPEPOXIQG-JTQLQIEISA-N 1 2 237.303 0.572 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C(F)F)C1 ZINC000684339229 488294829 /nfs/dbraw/zinc/29/48/29/488294829.db2.gz AJXJGLPGYCPXGN-SSDOTTSWSA-N 1 2 236.262 0.477 20 0 BCADLO CN(C)C(=O)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000684356691 488300036 /nfs/dbraw/zinc/30/00/36/488300036.db2.gz OKUOQUGBNGJCSB-UHFFFAOYSA-N 1 2 243.326 0.194 20 0 BCADLO O=C(CCn1cccc1)NCCc1[nH]cc[nH+]1 ZINC000673666688 488302065 /nfs/dbraw/zinc/30/20/65/488302065.db2.gz ZUCURJLHYDAKPD-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000673687159 488304042 /nfs/dbraw/zinc/30/40/42/488304042.db2.gz VXUOWIRFKBYMCQ-AOOOYVTPSA-N 1 2 221.260 0.273 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000679122314 488309071 /nfs/dbraw/zinc/30/90/71/488309071.db2.gz SIJQQSZSVRRUGX-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000684411939 488309163 /nfs/dbraw/zinc/30/91/63/488309163.db2.gz DTLJKVJIQHKRBJ-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000684411939 488309167 /nfs/dbraw/zinc/30/91/67/488309167.db2.gz DTLJKVJIQHKRBJ-PWSUYJOCSA-N 1 2 237.303 0.790 20 0 BCADLO CCN(CC(=O)N(C)C)c1cc(C)[nH+]cn1 ZINC000673884873 488311303 /nfs/dbraw/zinc/31/13/03/488311303.db2.gz CBJMTCUAEIQFOD-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1F ZINC000679227070 488322491 /nfs/dbraw/zinc/32/24/91/488322491.db2.gz WWELWCCZPFWOPU-BDAKNGLRSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1F ZINC000679227070 488322492 /nfs/dbraw/zinc/32/24/92/488322492.db2.gz WWELWCCZPFWOPU-BDAKNGLRSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@@](O)(CO)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000684538918 488326749 /nfs/dbraw/zinc/32/67/49/488326749.db2.gz OPRKVLPGGAVLKW-LBPRGKRZSA-N 1 2 235.287 0.396 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC=CCC1 ZINC000679293322 488330328 /nfs/dbraw/zinc/33/03/28/488330328.db2.gz ADEAFWLWMJXBKA-UHFFFAOYSA-N 1 2 220.276 0.892 20 0 BCADLO CN(C)[C@H](C(=O)Nc1cn[nH]c1)c1c[nH+]cn1C ZINC000684830290 488347455 /nfs/dbraw/zinc/34/74/55/488347455.db2.gz DEZLTDNIFVFHSY-JTQLQIEISA-N 1 2 248.290 0.385 20 0 BCADLO CN(C)[C@@H](C(=O)Nc1cn[nH]c1)c1c[nH+]cn1C ZINC000684830292 488347480 /nfs/dbraw/zinc/34/74/80/488347480.db2.gz DEZLTDNIFVFHSY-SNVBAGLBSA-N 1 2 248.290 0.385 20 0 BCADLO CC[N@@H+](Cc1ccoc1)Cc1nc(=O)n(C)[nH]1 ZINC000679643611 488362113 /nfs/dbraw/zinc/36/21/13/488362113.db2.gz KVGZTGFXEUECEK-UHFFFAOYSA-N 1 2 236.275 0.724 20 0 BCADLO CC[N@H+](Cc1ccoc1)Cc1nc(=O)n(C)[nH]1 ZINC000679643611 488362114 /nfs/dbraw/zinc/36/21/14/488362114.db2.gz KVGZTGFXEUECEK-UHFFFAOYSA-N 1 2 236.275 0.724 20 0 BCADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC(F)(F)C1 ZINC000679650668 488362559 /nfs/dbraw/zinc/36/25/59/488362559.db2.gz QIALXNMUFLLAJH-QMMMGPOBSA-N 1 2 241.241 0.923 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679684735 488364619 /nfs/dbraw/zinc/36/46/19/488364619.db2.gz UTJSEMFKFGPHIW-SSDOTTSWSA-N 1 2 222.235 0.436 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679684735 488364620 /nfs/dbraw/zinc/36/46/20/488364620.db2.gz UTJSEMFKFGPHIW-SSDOTTSWSA-N 1 2 222.235 0.436 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000679834386 488367167 /nfs/dbraw/zinc/36/71/67/488367167.db2.gz BMTUNKGUEIXTJR-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000679834386 488367168 /nfs/dbraw/zinc/36/71/68/488367168.db2.gz BMTUNKGUEIXTJR-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2ccnn2)[nH+]1 ZINC000679848916 488368765 /nfs/dbraw/zinc/36/87/65/488368765.db2.gz KCQZEDLPEAPPOR-UHFFFAOYSA-N 1 2 243.274 0.970 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1nncs1 ZINC000450312269 490097858 /nfs/dbraw/zinc/09/78/58/490097858.db2.gz GTGAFGZNYQDBDX-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1nncs1 ZINC000450312269 490097866 /nfs/dbraw/zinc/09/78/66/490097866.db2.gz GTGAFGZNYQDBDX-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO Cc1nc(NC[C@H](CO)c2cccnc2)cc[nH+]1 ZINC000340930744 490102194 /nfs/dbraw/zinc/10/21/94/490102194.db2.gz CCAWPMRDBSZMFW-GFCCVEGCSA-N 1 2 244.298 1.368 20 0 BCADLO Cc1nc(NCCn2ccccc2=O)cc[nH+]1 ZINC000361024672 490102859 /nfs/dbraw/zinc/10/28/59/490102859.db2.gz BDQJKPIDBNUWFP-UHFFFAOYSA-N 1 2 230.271 1.059 20 0 BCADLO O=c1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH][nH]1 ZINC000121918747 490113069 /nfs/dbraw/zinc/11/30/69/490113069.db2.gz UUGVQKBRXYFOGQ-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH][nH]1 ZINC000121918747 490113077 /nfs/dbraw/zinc/11/30/77/490113077.db2.gz UUGVQKBRXYFOGQ-QMMMGPOBSA-N 1 2 248.290 0.201 20 0 BCADLO CCc1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000221147434 490177184 /nfs/dbraw/zinc/17/71/84/490177184.db2.gz KHMKGUAXLSRMEB-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000221147434 490177188 /nfs/dbraw/zinc/17/71/88/490177188.db2.gz KHMKGUAXLSRMEB-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661722103 490204442 /nfs/dbraw/zinc/20/44/42/490204442.db2.gz WDGYZURBUOVYJF-OVYXKVPISA-N 1 2 222.292 0.631 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)[nH]1 ZINC000661722103 490204447 /nfs/dbraw/zinc/20/44/47/490204447.db2.gz WDGYZURBUOVYJF-OVYXKVPISA-N 1 2 222.292 0.631 20 0 BCADLO O=S(=O)(C[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000070820037 490238371 /nfs/dbraw/zinc/23/83/71/490238371.db2.gz XPMJCSQZWZJKLV-MRVPVSSYSA-N 1 2 245.304 0.008 20 0 BCADLO CN(Cc1cc[nH]n1)c1[nH+]cnc2c1cnn2C ZINC000337936027 490247262 /nfs/dbraw/zinc/24/72/62/490247262.db2.gz LPGRARQOUOOEBM-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000092618853 490359258 /nfs/dbraw/zinc/35/92/58/490359258.db2.gz GQLIYMYMNSTRQC-RKDXNWHRSA-N 1 2 222.292 0.863 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000092618853 490359261 /nfs/dbraw/zinc/35/92/61/490359261.db2.gz GQLIYMYMNSTRQC-RKDXNWHRSA-N 1 2 222.292 0.863 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000074062923 490371520 /nfs/dbraw/zinc/37/15/20/490371520.db2.gz YNYLRACDXLALPG-PWSUYJOCSA-N 1 2 239.319 0.796 20 0 BCADLO COCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000072486152 490402955 /nfs/dbraw/zinc/40/29/55/490402955.db2.gz JDIBTKIWUZHPIF-UHFFFAOYSA-N 1 2 240.307 0.609 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)[C@H]1C[N@H+](C)CCO1 ZINC000126692882 490513301 /nfs/dbraw/zinc/51/33/01/490513301.db2.gz JHDGSINTWGGCMZ-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1cocn1)[C@H]1C[N@@H+](C)CCO1 ZINC000126692882 490513307 /nfs/dbraw/zinc/51/33/07/490513307.db2.gz JHDGSINTWGGCMZ-PSASIEDQSA-N 1 2 239.275 0.124 20 0 BCADLO CCn1nccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000131207267 490627294 /nfs/dbraw/zinc/62/72/94/490627294.db2.gz WKOFLCPVCLDFEY-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000085825392 491053612 /nfs/dbraw/zinc/05/36/12/491053612.db2.gz XZALDWWNGSIYPC-LLVKDONJSA-N 1 2 236.319 0.851 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000085825392 491053613 /nfs/dbraw/zinc/05/36/13/491053613.db2.gz XZALDWWNGSIYPC-LLVKDONJSA-N 1 2 236.319 0.851 20 0 BCADLO Cc1cc(NC[C@@]2(O)CCO[C@H]2C)nc[nH+]1 ZINC000228010091 491086867 /nfs/dbraw/zinc/08/68/67/491086867.db2.gz SMJWVXPRYDQJIW-ONGXEEELSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000683918287 491087969 /nfs/dbraw/zinc/08/79/69/491087969.db2.gz DJELXJOYYNAZPM-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccno1 ZINC000088094231 491094283 /nfs/dbraw/zinc/09/42/83/491094283.db2.gz SLTALQUVLBPVJY-SCZZXKLOSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccno1 ZINC000088094231 491094285 /nfs/dbraw/zinc/09/42/85/491094285.db2.gz SLTALQUVLBPVJY-SCZZXKLOSA-N 1 2 212.249 0.256 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COCCN2C)c(C)c[nH+]1 ZINC000679644573 491113842 /nfs/dbraw/zinc/11/38/42/491113842.db2.gz RUWAJWKCCFAKGI-LBPRGKRZSA-N 1 2 249.314 0.389 20 0 BCADLO CCc1cc(NC[C@]2(O)CCOC2)nc[nH+]1 ZINC000229623671 491117007 /nfs/dbraw/zinc/11/70/07/491117007.db2.gz VXJUTWZOYGZKTK-LLVKDONJSA-N 1 2 223.276 0.602 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1 ZINC000082304194 491126198 /nfs/dbraw/zinc/12/61/98/491126198.db2.gz KVSGSFLOVSBIGC-UHFFFAOYSA-N 1 2 245.286 0.346 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091589428 491131097 /nfs/dbraw/zinc/13/10/97/491131097.db2.gz HZWBSBQSSCNZQB-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091589428 491131098 /nfs/dbraw/zinc/13/10/98/491131098.db2.gz HZWBSBQSSCNZQB-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO Cc1cc(N[C@H](CO)[C@H]2CCCOC2)nc[nH+]1 ZINC000664017145 491132332 /nfs/dbraw/zinc/13/23/32/491132332.db2.gz VDSUUCLCARPSDB-WDEREUQCSA-N 1 2 237.303 0.984 20 0 BCADLO Cc1nsc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000309822895 491157354 /nfs/dbraw/zinc/15/73/54/491157354.db2.gz WSRYXBKVVGKZFJ-VXNVDRBHSA-N 1 2 242.348 0.978 20 0 BCADLO Cc1nsc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000309822895 491157355 /nfs/dbraw/zinc/15/73/55/491157355.db2.gz WSRYXBKVVGKZFJ-VXNVDRBHSA-N 1 2 242.348 0.978 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1O ZINC000310384614 491161272 /nfs/dbraw/zinc/16/12/72/491161272.db2.gz JUIZZFHIISMDQN-SNVBAGLBSA-N 1 2 237.303 0.503 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ncn1 ZINC000515929954 491162582 /nfs/dbraw/zinc/16/25/82/491162582.db2.gz QXPALZIRBHNFPZ-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1CO ZINC000492867580 533913040 /nfs/dbraw/zinc/91/30/40/533913040.db2.gz RTOBUPMNZJXTNF-WUIHGDLDSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725802 533948090 /nfs/dbraw/zinc/94/80/90/533948090.db2.gz GFJBQPCYQLLEKS-DTWKUNHWSA-N 1 2 226.276 0.348 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725802 533948094 /nfs/dbraw/zinc/94/80/94/533948094.db2.gz GFJBQPCYQLLEKS-DTWKUNHWSA-N 1 2 226.276 0.348 20 0 BCADLO CON1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000846982564 582672790 /nfs/dbraw/zinc/67/27/90/582672790.db2.gz ILWRLZVHCSJLBD-JTQLQIEISA-N 1 2 243.351 0.469 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335907600 535721579 /nfs/dbraw/zinc/72/15/79/535721579.db2.gz GYPBKGGBBWYABB-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335907600 535721585 /nfs/dbraw/zinc/72/15/85/535721585.db2.gz GYPBKGGBBWYABB-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@H](COC)C1)OCC ZINC000185346844 535735522 /nfs/dbraw/zinc/73/55/22/535735522.db2.gz OKYBYEPDCLXNNK-NSHDSACASA-N 1 2 247.335 0.733 20 0 BCADLO CCOC(C[N@H+]1CCO[C@H](COC)C1)OCC ZINC000185346844 535735526 /nfs/dbraw/zinc/73/55/26/535735526.db2.gz OKYBYEPDCLXNNK-NSHDSACASA-N 1 2 247.335 0.733 20 0 BCADLO C[C@@H](CO)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903946 534113990 /nfs/dbraw/zinc/11/39/90/534113990.db2.gz VHGGBTHZLASHDP-RTMURIBGSA-N 1 2 209.249 0.262 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000494072039 534154748 /nfs/dbraw/zinc/15/47/48/534154748.db2.gz JRRBIPWGTVANKG-ZETCQYMHSA-N 1 2 240.263 0.079 20 0 BCADLO CC(=O)NCCCNc1cc(N(C)C)nc[nH+]1 ZINC000891705255 582711218 /nfs/dbraw/zinc/71/12/18/582711218.db2.gz PLCJDPWPEOKWNV-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CC(=O)NCCCNc1cc(N(C)C)[nH+]cn1 ZINC000891705255 582711220 /nfs/dbraw/zinc/71/12/20/582711220.db2.gz PLCJDPWPEOKWNV-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000494072642 534165975 /nfs/dbraw/zinc/16/59/75/534165975.db2.gz QCQDMQBDEAPMPQ-ZETCQYMHSA-N 1 2 241.247 0.208 20 0 BCADLO C[C@]1(O)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493531120 534184103 /nfs/dbraw/zinc/18/41/03/534184103.db2.gz SOOQPMONRXADPJ-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759780 534268733 /nfs/dbraw/zinc/26/87/33/534268733.db2.gz CRDHGFQUVFOFHY-PCAWENJQSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000492901381 534276652 /nfs/dbraw/zinc/27/66/52/534276652.db2.gz OZKPJLPHPUNIAT-PKRMOACSSA-N 1 2 233.271 0.860 20 0 BCADLO Cc1nnc(CCNC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000492809848 534331886 /nfs/dbraw/zinc/33/18/86/534331886.db2.gz GWGKUGLYAUKFCQ-IHWYPQMZSA-N 1 2 246.274 0.208 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccon1 ZINC000309504412 518183397 /nfs/dbraw/zinc/18/33/97/518183397.db2.gz BOPREEODNBOEBQ-WCBMZHEXSA-N 1 2 223.276 0.946 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000348127433 534394964 /nfs/dbraw/zinc/39/49/64/534394964.db2.gz RXOVRZBOKLMDIP-LYGAQUJYSA-N 1 2 246.376 0.354 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000348127433 534394970 /nfs/dbraw/zinc/39/49/70/534394970.db2.gz RXOVRZBOKLMDIP-LYGAQUJYSA-N 1 2 246.376 0.354 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000351993254 536337749 /nfs/dbraw/zinc/33/77/49/536337749.db2.gz IKGUXNURXBSBCV-LLVKDONJSA-N 1 2 249.318 0.288 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000351993254 536337751 /nfs/dbraw/zinc/33/77/51/536337751.db2.gz IKGUXNURXBSBCV-LLVKDONJSA-N 1 2 249.318 0.288 20 0 BCADLO NC(=O)[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493749835 534444064 /nfs/dbraw/zinc/44/40/64/534444064.db2.gz DZTLXRHGLNJVCU-UMCURTJPSA-N 1 2 248.286 0.289 20 0 BCADLO CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081561647 534454558 /nfs/dbraw/zinc/45/45/58/534454558.db2.gz RUPNXOUNRGSUIT-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)N2CCCC2)n1 ZINC000507505316 534476377 /nfs/dbraw/zinc/47/63/77/534476377.db2.gz ATTATHHSWHBISQ-QMMMGPOBSA-N 1 2 238.291 0.651 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496694530 534495223 /nfs/dbraw/zinc/49/52/23/534495223.db2.gz MWRYGHARMFJJGB-JTQLQIEISA-N 1 2 237.259 0.619 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496694530 534495228 /nfs/dbraw/zinc/49/52/28/534495228.db2.gz MWRYGHARMFJJGB-JTQLQIEISA-N 1 2 237.259 0.619 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000493852927 534786873 /nfs/dbraw/zinc/78/68/73/534786873.db2.gz LLSOPMBGSDMEMN-KVNXUHIHSA-N 1 2 247.298 0.652 20 0 BCADLO O=C(C=Cc1c[nH]cn1)N1CC(n2cc[nH+]c2)C1 ZINC000492810050 534800781 /nfs/dbraw/zinc/80/07/81/534800781.db2.gz HGDCZMWCZHPUMS-UPHRSURJSA-N 1 2 243.270 0.703 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC2(C1)CCOC2 ZINC000493389803 534801734 /nfs/dbraw/zinc/80/17/34/534801734.db2.gz OJKRNHQCNLVUFZ-UPHRSURJSA-N 1 2 233.271 0.672 20 0 BCADLO CC[NH2+][C@](C)(Cn1cccn1)C(=O)OC ZINC000045435091 582879357 /nfs/dbraw/zinc/87/93/57/582879357.db2.gz QAGGEUDVNNSTPD-SNVBAGLBSA-N 1 2 211.265 0.424 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCCNC1=O ZINC000493676506 534805180 /nfs/dbraw/zinc/80/51/80/534805180.db2.gz SWDITYZOTLVMHS-LWTINBJPSA-N 1 2 248.286 0.208 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493194252 526325693 /nfs/dbraw/zinc/32/56/93/526325693.db2.gz UHWZQAJRCZFULW-AYBMSQNHSA-N 1 2 235.287 0.866 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000495722293 526544462 /nfs/dbraw/zinc/54/44/62/526544462.db2.gz ZZMDRNXUGWGFKU-SSDOTTSWSA-N 1 2 245.279 0.408 20 0 BCADLO CC(=O)NCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493297434 526736007 /nfs/dbraw/zinc/73/60/07/526736007.db2.gz DJJYHGWTCANADZ-ARJAWSKDSA-N 1 2 236.275 0.065 20 0 BCADLO CC(=O)NCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493104363 526736347 /nfs/dbraw/zinc/73/63/47/526736347.db2.gz JIDVLUKSBJHLQG-ONEGZZNKSA-N 1 2 236.275 0.065 20 0 BCADLO CC(=O)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493005231 527115085 /nfs/dbraw/zinc/11/50/85/527115085.db2.gz MCVDVPCMHTULQT-NSCUHMNNSA-N 1 2 223.232 0.102 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000496802814 527725666 /nfs/dbraw/zinc/72/56/66/527725666.db2.gz JVOKCXJJMIZAEW-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000496802814 527725672 /nfs/dbraw/zinc/72/56/72/527725672.db2.gz JVOKCXJJMIZAEW-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO CC(C)OC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000496389227 527819674 /nfs/dbraw/zinc/81/96/74/527819674.db2.gz XDDKGDXVXQYSEQ-VHSXEESVSA-N 1 2 228.292 0.546 20 0 BCADLO CC(C)OC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000496389227 527819679 /nfs/dbraw/zinc/81/96/79/527819679.db2.gz XDDKGDXVXQYSEQ-VHSXEESVSA-N 1 2 228.292 0.546 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493817090 527877923 /nfs/dbraw/zinc/87/79/23/527877923.db2.gz HOEQNYZWAJKHDP-HMDXOVGESA-N 1 2 235.287 0.795 20 0 BCADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)COC1 ZINC000493615228 527932703 /nfs/dbraw/zinc/93/27/03/527932703.db2.gz RLYMIWMQTMETJH-IHWYPQMZSA-N 1 2 221.260 0.576 20 0 BCADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)COC1 ZINC000493615229 527933294 /nfs/dbraw/zinc/93/32/94/527933294.db2.gz RLYMIWMQTMETJH-NSCUHMNNSA-N 1 2 221.260 0.576 20 0 BCADLO CC(C)[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(N)=O ZINC000493634044 528536018 /nfs/dbraw/zinc/53/60/18/528536018.db2.gz YEDJMPVOIMVRRC-HMDXOVGESA-N 1 2 236.275 0.049 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493531271 528618845 /nfs/dbraw/zinc/61/88/45/528618845.db2.gz SYOJBTPPTCEULX-BYCRGOAPSA-N 1 2 237.303 0.946 20 0 BCADLO CCOCC[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495210468 528750350 /nfs/dbraw/zinc/75/03/50/528750350.db2.gz KRHQCQPEQCBMHW-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCOCC[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495210468 528750344 /nfs/dbraw/zinc/75/03/44/528750344.db2.gz KRHQCQPEQCBMHW-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCOCCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493160250 528816262 /nfs/dbraw/zinc/81/62/62/528816262.db2.gz RZNOXJCHXPISKL-ONEGZZNKSA-N 1 2 225.248 0.507 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493105412 528866619 /nfs/dbraw/zinc/86/66/19/528866619.db2.gz LSIDPTMMBIFBQB-ONEGZZNKSA-N 1 2 236.275 0.145 20 0 BCADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000493469817 529060575 /nfs/dbraw/zinc/06/05/75/529060575.db2.gz YAQMCGSCOWUXTN-XOULXFPDSA-N 1 2 235.287 0.652 20 0 BCADLO CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1O ZINC000493563998 529060970 /nfs/dbraw/zinc/06/09/70/529060970.db2.gz IVZPSEUZAJOSLI-CDAZIORVSA-N 1 2 235.287 0.652 20 0 BCADLO CC(C)NC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493587110 529130216 /nfs/dbraw/zinc/13/02/16/529130216.db2.gz QFZLHCFMZVSCQU-ARJAWSKDSA-N 1 2 236.275 0.064 20 0 BCADLO CC(C)NC(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493752459 529130227 /nfs/dbraw/zinc/13/02/27/529130227.db2.gz INOFSOSLYFMLRW-ONEGZZNKSA-N 1 2 236.275 0.064 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493609713 529134138 /nfs/dbraw/zinc/13/41/38/529134138.db2.gz IJAXHFCIHWIRFX-UMBAGQNISA-N 1 2 235.287 0.964 20 0 BCADLO CCN1CC[N@H+](CCn2cccn2)[C@H](C)C1=O ZINC000495213100 529146762 /nfs/dbraw/zinc/14/67/62/529146762.db2.gz VZITVINBSHYTMN-LLVKDONJSA-N 1 2 236.319 0.436 20 0 BCADLO CCN1CC[N@@H+](CCn2cccn2)[C@H](C)C1=O ZINC000495213100 529146764 /nfs/dbraw/zinc/14/67/64/529146764.db2.gz VZITVINBSHYTMN-LLVKDONJSA-N 1 2 236.319 0.436 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496976735 529308117 /nfs/dbraw/zinc/30/81/17/529308117.db2.gz ANNIQVSHAVIUGB-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496976735 529308120 /nfs/dbraw/zinc/30/81/20/529308120.db2.gz ANNIQVSHAVIUGB-VHSXEESVSA-N 1 2 228.292 0.548 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H]1CO ZINC000088619575 534926552 /nfs/dbraw/zinc/92/65/52/534926552.db2.gz FWKSDGDJGGEGHP-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@H]1CO ZINC000088619575 534926557 /nfs/dbraw/zinc/92/65/57/534926557.db2.gz FWKSDGDJGGEGHP-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CC1(C)C[S@@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000335937971 534940849 /nfs/dbraw/zinc/94/08/49/534940849.db2.gz VBGIPOAMZLBOKV-HNNXBMFYSA-N 1 2 227.333 0.753 20 0 BCADLO CC1(C)C[S@@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000335937971 534940852 /nfs/dbraw/zinc/94/08/52/534940852.db2.gz VBGIPOAMZLBOKV-HNNXBMFYSA-N 1 2 227.333 0.753 20 0 BCADLO CC1(C)C[S@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000335937972 534942654 /nfs/dbraw/zinc/94/26/54/534942654.db2.gz VBGIPOAMZLBOKV-OAHLLOKOSA-N 1 2 227.333 0.753 20 0 BCADLO CC1(C)C[S@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000335937972 534942659 /nfs/dbraw/zinc/94/26/59/534942659.db2.gz VBGIPOAMZLBOKV-OAHLLOKOSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)NC2CC2)CCO1 ZINC000725856100 582921777 /nfs/dbraw/zinc/92/17/77/582921777.db2.gz KPXFUJCXTLHASZ-SECBINFHSA-N 1 2 227.308 0.169 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2CC2)CCO1 ZINC000725856100 582921778 /nfs/dbraw/zinc/92/17/78/582921778.db2.gz KPXFUJCXTLHASZ-SECBINFHSA-N 1 2 227.308 0.169 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)NCCC ZINC000183045633 535019368 /nfs/dbraw/zinc/01/93/68/535019368.db2.gz KYUKGNMYMZKZRF-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NCCC ZINC000183045633 535019373 /nfs/dbraw/zinc/01/93/73/535019373.db2.gz KYUKGNMYMZKZRF-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185943410 535069301 /nfs/dbraw/zinc/06/93/01/535069301.db2.gz MBQPUHCKFVJGJE-LBPRGKRZSA-N 1 2 241.335 0.243 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185943410 535069305 /nfs/dbraw/zinc/06/93/05/535069305.db2.gz MBQPUHCKFVJGJE-LBPRGKRZSA-N 1 2 241.335 0.243 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000336120767 535226311 /nfs/dbraw/zinc/22/63/11/535226311.db2.gz MYUKFEGZIWVWGJ-GHMZBOCLSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000336120767 535226314 /nfs/dbraw/zinc/22/63/14/535226314.db2.gz MYUKFEGZIWVWGJ-GHMZBOCLSA-N 1 2 238.331 0.907 20 0 BCADLO CC(C)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1=O ZINC000177639539 535242019 /nfs/dbraw/zinc/24/20/19/535242019.db2.gz RDQDOGNTKPFWAF-JTQLQIEISA-N 1 2 241.335 0.016 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1=O ZINC000177639539 535242025 /nfs/dbraw/zinc/24/20/25/535242025.db2.gz RDQDOGNTKPFWAF-JTQLQIEISA-N 1 2 241.335 0.016 20 0 BCADLO CCC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000170491014 535308626 /nfs/dbraw/zinc/30/86/26/535308626.db2.gz HJHFJUMRJJGEAY-UHFFFAOYSA-N 1 2 234.303 0.844 20 0 BCADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)C[C@H](C)O ZINC000352228953 535391378 /nfs/dbraw/zinc/39/13/78/535391378.db2.gz BNONCEJDJPPRSS-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)C[C@H](C)O ZINC000352228953 535391383 /nfs/dbraw/zinc/39/13/83/535391383.db2.gz BNONCEJDJPPRSS-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)C[C@@H](C)O ZINC000352230885 535393680 /nfs/dbraw/zinc/39/36/80/535393680.db2.gz MSYSMIHTDXODJK-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)C[C@@H](C)O ZINC000352230885 535393685 /nfs/dbraw/zinc/39/36/85/535393685.db2.gz MSYSMIHTDXODJK-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@@H+](Cc1ncnn1CC(F)F)C[C@@H](C)O ZINC000352193540 535394193 /nfs/dbraw/zinc/39/41/93/535394193.db2.gz CZQSVEBTIKLVIT-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO CC[N@H+](Cc1ncnn1CC(F)F)C[C@@H](C)O ZINC000352193540 535394200 /nfs/dbraw/zinc/39/42/00/535394200.db2.gz CZQSVEBTIKLVIT-MRVPVSSYSA-N 1 2 248.277 0.746 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)[C@@H]1OC ZINC000169188540 535506846 /nfs/dbraw/zinc/50/68/46/535506846.db2.gz LBYLBXDSQLSGJH-AXFHLTTASA-N 1 2 225.292 0.692 20 0 BCADLO CCOC(=O)CN1CCN(C)c2[nH+]cccc21 ZINC000260323899 535678168 /nfs/dbraw/zinc/67/81/68/535678168.db2.gz NLXXHQUURSJXCQ-UHFFFAOYSA-N 1 2 235.287 0.901 20 0 BCADLO CCOC(=O)COCC[N@H+](C)Cc1cc[nH]n1 ZINC000351481777 535685807 /nfs/dbraw/zinc/68/58/07/535685807.db2.gz YFBKGMDPNGJRJQ-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)Cc1cc[nH]n1 ZINC000351481777 535685812 /nfs/dbraw/zinc/68/58/12/535685812.db2.gz YFBKGMDPNGJRJQ-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000342632679 535712479 /nfs/dbraw/zinc/71/24/79/535712479.db2.gz MQKSQJRHKYKILJ-VFZGTOFNSA-N 1 2 234.365 0.164 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000342632679 535712484 /nfs/dbraw/zinc/71/24/84/535712484.db2.gz MQKSQJRHKYKILJ-VFZGTOFNSA-N 1 2 234.365 0.164 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335697390 535719975 /nfs/dbraw/zinc/71/99/75/535719975.db2.gz OVBUCJWRSXFYKK-QFYYESIMSA-N 1 2 246.376 0.165 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335697390 535719977 /nfs/dbraw/zinc/71/99/77/535719977.db2.gz OVBUCJWRSXFYKK-QFYYESIMSA-N 1 2 246.376 0.165 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000250212088 535723424 /nfs/dbraw/zinc/72/34/24/535723424.db2.gz CSRIPQPCQYDLDG-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000250212088 535723430 /nfs/dbraw/zinc/72/34/30/535723430.db2.gz CSRIPQPCQYDLDG-SECBINFHSA-N 1 2 220.338 0.362 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000348635798 535863131 /nfs/dbraw/zinc/86/31/31/535863131.db2.gz OPOFHZXNHKBLOY-QWRGUYRKSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000348635798 535863132 /nfs/dbraw/zinc/86/31/32/535863132.db2.gz OPOFHZXNHKBLOY-QWRGUYRKSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000308781441 535894740 /nfs/dbraw/zinc/89/47/40/535894740.db2.gz IOKYKCKHIPNNJO-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000308781441 535894747 /nfs/dbraw/zinc/89/47/47/535894747.db2.gz IOKYKCKHIPNNJO-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@H]([NH2+]CC1(C)COC1)C(=O)OC ZINC000168386043 535897463 /nfs/dbraw/zinc/89/74/63/535897463.db2.gz FPPBYMUDDBHDDY-QMMMGPOBSA-N 1 2 201.266 0.564 20 0 BCADLO CC[C@H]([NH2+]CCNC(=O)C(C)C)C(=O)OC ZINC000168238387 535901394 /nfs/dbraw/zinc/90/13/94/535901394.db2.gz DLJAZNJDINFKDW-VIFPVBQESA-N 1 2 230.308 0.300 20 0 BCADLO CC[C@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000228727830 535903999 /nfs/dbraw/zinc/90/39/99/535903999.db2.gz OBRGFBLLFDPXAQ-JTQLQIEISA-N 1 2 215.293 0.954 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C)C1 ZINC000249116971 536103621 /nfs/dbraw/zinc/10/36/21/536103621.db2.gz SNXHSQNMVASDCF-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C)C1 ZINC000249116971 536103628 /nfs/dbraw/zinc/10/36/28/536103628.db2.gz SNXHSQNMVASDCF-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528102 536161349 /nfs/dbraw/zinc/16/13/49/536161349.db2.gz IMZXVNTXCMKARM-BQBZGAKWSA-N 1 2 206.236 0.898 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC000269680002 536317895 /nfs/dbraw/zinc/31/78/95/536317895.db2.gz ZNSHAHGWSWKSKD-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000343688819 536331905 /nfs/dbraw/zinc/33/19/05/536331905.db2.gz XZPIUFWATGDPBD-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@@H](C)F ZINC000352096253 536347930 /nfs/dbraw/zinc/34/79/30/536347930.db2.gz DMPGXRBNFHDOPA-BDAKNGLRSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)F ZINC000352096253 536347932 /nfs/dbraw/zinc/34/79/32/536347932.db2.gz DMPGXRBNFHDOPA-BDAKNGLRSA-N 1 2 246.282 0.098 20 0 BCADLO C[N@H+](CCO)Cc1nnc(C2CC2)n1C1CC1 ZINC000181076976 536392005 /nfs/dbraw/zinc/39/20/05/536392005.db2.gz XLHNBSUZTSVRKS-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO C[N@@H+](CCO)Cc1nnc(C2CC2)n1C1CC1 ZINC000181076976 536392009 /nfs/dbraw/zinc/39/20/09/536392009.db2.gz XLHNBSUZTSVRKS-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178504907 536472499 /nfs/dbraw/zinc/47/24/99/536472499.db2.gz FOJGQTHXUNGZDC-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178504907 536472502 /nfs/dbraw/zinc/47/25/02/536472502.db2.gz FOJGQTHXUNGZDC-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351949720 536527249 /nfs/dbraw/zinc/52/72/49/536527249.db2.gz AAFMZOZLNDKKNV-YIZRAAEISA-N 1 2 241.291 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351949720 536527255 /nfs/dbraw/zinc/52/72/55/536527255.db2.gz AAFMZOZLNDKKNV-YIZRAAEISA-N 1 2 241.291 0.590 20 0 BCADLO COC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000334296139 536581560 /nfs/dbraw/zinc/58/15/60/536581560.db2.gz YDCAFGBZYHCODJ-SNVBAGLBSA-N 1 2 249.314 0.693 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261589018 536588004 /nfs/dbraw/zinc/58/80/04/536588004.db2.gz SUGYPFQDCMKCRC-MRVPVSSYSA-N 1 2 243.332 0.573 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261589018 536588007 /nfs/dbraw/zinc/58/80/07/536588007.db2.gz SUGYPFQDCMKCRC-MRVPVSSYSA-N 1 2 243.332 0.573 20 0 BCADLO CO[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263162493 536704581 /nfs/dbraw/zinc/70/45/81/536704581.db2.gz DYTAMQZUNMUNGG-IUCAKERBSA-N 1 2 248.273 0.621 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000351730720 536843831 /nfs/dbraw/zinc/84/38/31/536843831.db2.gz RDFMBPHSQGGSGC-JGVFFNPUSA-N 1 2 240.259 0.416 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000351730720 536843833 /nfs/dbraw/zinc/84/38/33/536843833.db2.gz RDFMBPHSQGGSGC-JGVFFNPUSA-N 1 2 240.259 0.416 20 0 BCADLO COCC[N@H+](Cc1nc(COC)no1)C1CC1 ZINC000348032727 536849322 /nfs/dbraw/zinc/84/93/22/536849322.db2.gz GDEAIQFQSYPDGP-UHFFFAOYSA-N 1 2 241.291 0.827 20 0 BCADLO COCC[N@@H+](Cc1nc(COC)no1)C1CC1 ZINC000348032727 536849325 /nfs/dbraw/zinc/84/93/25/536849325.db2.gz GDEAIQFQSYPDGP-UHFFFAOYSA-N 1 2 241.291 0.827 20 0 BCADLO COC[C@H](CCO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892631102 582934107 /nfs/dbraw/zinc/93/41/07/582934107.db2.gz GRDOREMOYPPHDS-UWVGGRQHSA-N 1 2 240.303 0.944 20 0 BCADLO CCN1CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349009357 538060018 /nfs/dbraw/zinc/06/00/18/538060018.db2.gz GTCMNUAKYPMGBZ-UHFFFAOYSA-N 1 2 222.248 0.204 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCOC2)c1 ZINC000893812441 583225745 /nfs/dbraw/zinc/22/57/45/583225745.db2.gz AYSRIOPHXVNLKK-MRVPVSSYSA-N 1 2 224.264 0.008 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(F)cc1C ZINC000893965920 583263723 /nfs/dbraw/zinc/26/37/23/583263723.db2.gz XFKQPIONWSQGBZ-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(F)cc1C ZINC000893965920 583263726 /nfs/dbraw/zinc/26/37/26/583263726.db2.gz XFKQPIONWSQGBZ-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000894096525 583300943 /nfs/dbraw/zinc/30/09/43/583300943.db2.gz VJTSJIPIPKLAQO-WCBMZHEXSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000894096525 583300945 /nfs/dbraw/zinc/30/09/45/583300945.db2.gz VJTSJIPIPKLAQO-WCBMZHEXSA-N 1 2 226.276 0.565 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)c2ccccn2)C1 ZINC000853063946 588718315 /nfs/dbraw/zinc/71/83/15/588718315.db2.gz GRNNHMBRGSHDKT-GFCCVEGCSA-N 1 2 222.288 0.836 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853109968 588720922 /nfs/dbraw/zinc/72/09/22/588720922.db2.gz SXUFHPBBZHJAKB-VIFPVBQESA-N 1 2 232.230 0.332 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c(=O)o1 ZINC000853500399 588746179 /nfs/dbraw/zinc/74/61/79/588746179.db2.gz JXTBHJCIFHZQMP-HTQZYQBOSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(=O)o1 ZINC000853500399 588746180 /nfs/dbraw/zinc/74/61/80/588746180.db2.gz JXTBHJCIFHZQMP-HTQZYQBOSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c(=O)o1 ZINC000853500559 588746182 /nfs/dbraw/zinc/74/61/82/588746182.db2.gz SHUGLXLNBRFDQR-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1nn(C[N@H+]2CCC(C)(C)C2)c(=O)o1 ZINC000853500559 588746183 /nfs/dbraw/zinc/74/61/83/588746183.db2.gz SHUGLXLNBRFDQR-UHFFFAOYSA-N 1 2 211.265 0.834 20 0 BCADLO CC[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501009 588746264 /nfs/dbraw/zinc/74/62/64/588746264.db2.gz BYHVYPCCXXQGCP-VIFPVBQESA-N 1 2 211.265 0.834 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501009 588746265 /nfs/dbraw/zinc/74/62/65/588746265.db2.gz BYHVYPCCXXQGCP-VIFPVBQESA-N 1 2 211.265 0.834 20 0 BCADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(C)oc1=O ZINC000853497130 588746321 /nfs/dbraw/zinc/74/63/21/588746321.db2.gz QTOAFBYNZXAYMF-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(C)oc1=O ZINC000853497130 588746322 /nfs/dbraw/zinc/74/63/22/588746322.db2.gz QTOAFBYNZXAYMF-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=O)o1 ZINC000853498925 588746473 /nfs/dbraw/zinc/74/64/73/588746473.db2.gz RQUZIDFLDZJRGP-HTQZYQBOSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=O)o1 ZINC000853498925 588746474 /nfs/dbraw/zinc/74/64/74/588746474.db2.gz RQUZIDFLDZJRGP-HTQZYQBOSA-N 1 2 211.265 0.833 20 0 BCADLO CS[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853516675 588747138 /nfs/dbraw/zinc/74/71/38/588747138.db2.gz NOVYLUMEDHWNMI-QMMMGPOBSA-N 1 2 229.305 0.540 20 0 BCADLO CS[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853516675 588747139 /nfs/dbraw/zinc/74/71/39/588747139.db2.gz NOVYLUMEDHWNMI-QMMMGPOBSA-N 1 2 229.305 0.540 20 0 BCADLO CO[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C[C@@H]1C ZINC000853517649 588747285 /nfs/dbraw/zinc/74/72/85/588747285.db2.gz ZVTWWNRGQCZNAM-WPRPVWTQSA-N 1 2 241.291 0.459 20 0 BCADLO CO[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C[C@@H]1C ZINC000853517649 588747286 /nfs/dbraw/zinc/74/72/86/588747286.db2.gz ZVTWWNRGQCZNAM-WPRPVWTQSA-N 1 2 241.291 0.459 20 0 BCADLO C[N@H+](C[C@H]1COCCO1)Cn1cc[nH]c1=S ZINC000853559262 588748744 /nfs/dbraw/zinc/74/87/44/588748744.db2.gz YHOVUASNIHPPME-VIFPVBQESA-N 1 2 243.332 0.477 20 0 BCADLO C[N@@H+](C[C@H]1COCCO1)Cn1cc[nH]c1=S ZINC000853559262 588748745 /nfs/dbraw/zinc/74/87/45/588748745.db2.gz YHOVUASNIHPPME-VIFPVBQESA-N 1 2 243.332 0.477 20 0 BCADLO COC(=O)c1cn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000853576420 588749321 /nfs/dbraw/zinc/74/93/21/588749321.db2.gz DPILFLCEVHHWOR-RKDXNWHRSA-N 1 2 236.275 0.364 20 0 BCADLO COC(=O)c1cn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000853576420 588749322 /nfs/dbraw/zinc/74/93/22/588749322.db2.gz DPILFLCEVHHWOR-RKDXNWHRSA-N 1 2 236.275 0.364 20 0 BCADLO O=c1n2ccncc2nn1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575763 588749335 /nfs/dbraw/zinc/74/93/35/588749335.db2.gz JTDHXODAXGQCHP-NXEZZACHSA-N 1 2 245.286 0.190 20 0 BCADLO O=c1n2ccncc2nn1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575763 588749336 /nfs/dbraw/zinc/74/93/36/588749336.db2.gz JTDHXODAXGQCHP-NXEZZACHSA-N 1 2 245.286 0.190 20 0 BCADLO COC(=O)c1ncn(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000853577175 588749364 /nfs/dbraw/zinc/74/93/64/588749364.db2.gz HGCPMRSILPRWAQ-IUCAKERBSA-N 1 2 236.275 0.364 20 0 BCADLO COC(=O)c1ncn(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000853577175 588749365 /nfs/dbraw/zinc/74/93/65/588749365.db2.gz HGCPMRSILPRWAQ-IUCAKERBSA-N 1 2 236.275 0.364 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@](C)(C(F)F)O1 ZINC000853630249 588750988 /nfs/dbraw/zinc/75/09/88/588750988.db2.gz FHSAWPFJEYPKSB-WCBMZHEXSA-N 1 2 246.261 0.980 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@](C)(C(F)F)O1 ZINC000853630249 588750989 /nfs/dbraw/zinc/75/09/89/588750989.db2.gz FHSAWPFJEYPKSB-WCBMZHEXSA-N 1 2 246.261 0.980 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=O)o1 ZINC000853498927 588746375 /nfs/dbraw/zinc/74/63/75/588746375.db2.gz RQUZIDFLDZJRGP-SFYZADRCSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=O)o1 ZINC000853498927 588746376 /nfs/dbraw/zinc/74/63/76/588746376.db2.gz RQUZIDFLDZJRGP-SFYZADRCSA-N 1 2 211.265 0.833 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(=O)o1 ZINC000853501442 588746424 /nfs/dbraw/zinc/74/64/24/588746424.db2.gz GSJZPDPQAHALPN-LLVKDONJSA-N 1 2 239.275 0.215 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c(=O)o1 ZINC000853501442 588746425 /nfs/dbraw/zinc/74/64/25/588746425.db2.gz GSJZPDPQAHALPN-LLVKDONJSA-N 1 2 239.275 0.215 20 0 BCADLO COC(=O)C1(CO[NH+]=C(N)COC(C)C)CC1 ZINC000853657758 588752955 /nfs/dbraw/zinc/75/29/55/588752955.db2.gz GIDHNEQPRCTKTK-UHFFFAOYSA-N 1 2 244.291 0.863 20 0 BCADLO CCN1CC[C@H](O[NH+]=C(N)[C@H](C)OC)C1=O ZINC000853673993 588754551 /nfs/dbraw/zinc/75/45/51/588754551.db2.gz OFLPLPSHWCKJPG-YUMQZZPRSA-N 1 2 229.280 0.141 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1ncnn1CCF ZINC000853673755 588754653 /nfs/dbraw/zinc/75/46/53/588754653.db2.gz IAZSDOVSHSQPPK-SSDOTTSWSA-N 1 2 245.258 0.281 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H]2COCO2)[nH+]1 ZINC000853687601 588756330 /nfs/dbraw/zinc/75/63/30/588756330.db2.gz XJKXMZQAGPCYSQ-QMMMGPOBSA-N 1 2 239.279 0.031 20 0 BCADLO Cc1nc(NC[C@H]2COCO2)nc(N(C)C)[nH+]1 ZINC000853687601 588756331 /nfs/dbraw/zinc/75/63/31/588756331.db2.gz XJKXMZQAGPCYSQ-QMMMGPOBSA-N 1 2 239.279 0.031 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1COCCO1 ZINC000853688716 588756620 /nfs/dbraw/zinc/75/66/20/588756620.db2.gz SPGHBKMDSHTPLZ-VIFPVBQESA-N 1 2 246.307 0.715 20 0 BCADLO NC(=[NH+]OCCC1(O)CCC1)[C@@H]1CCCO1 ZINC000853697740 588757472 /nfs/dbraw/zinc/75/74/72/588757472.db2.gz JQVBXFUKMGDGRA-VIFPVBQESA-N 1 2 228.292 0.969 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742513 588760803 /nfs/dbraw/zinc/76/08/03/588760803.db2.gz SHBGIVPCTGWGTP-SECBINFHSA-N 1 2 246.307 0.715 20 0 BCADLO COC1(C(N)=[NH+]OCC[C@H](C)O)CCOCC1 ZINC000853742740 588760846 /nfs/dbraw/zinc/76/08/46/588760846.db2.gz DEYMOMXTVNIIQN-VIFPVBQESA-N 1 2 246.307 0.451 20 0 BCADLO COC1(C(N)=[NH+]OCC[C@@H](C)O)CCOCC1 ZINC000853742739 588760893 /nfs/dbraw/zinc/76/08/93/588760893.db2.gz DEYMOMXTVNIIQN-SECBINFHSA-N 1 2 246.307 0.451 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854097011 588774608 /nfs/dbraw/zinc/77/46/08/588774608.db2.gz YDVFUGFLJJPFNP-RKDXNWHRSA-N 1 2 238.291 0.398 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)N[C@H]1CCn2cc[nH+]c21 ZINC000854096927 588774708 /nfs/dbraw/zinc/77/47/08/588774708.db2.gz VUKSJLCONPIYKJ-CIUDSAMLSA-N 1 2 236.275 0.150 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NN1CCCC1 ZINC000854330974 588784571 /nfs/dbraw/zinc/78/45/71/588784571.db2.gz OPCYFVDFRISXHK-UHFFFAOYSA-N 1 2 248.330 0.889 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000854337139 588784652 /nfs/dbraw/zinc/78/46/52/588784652.db2.gz ULMPAQAKSCGITP-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353592 588784787 /nfs/dbraw/zinc/78/47/87/588784787.db2.gz ATLXDXMTQWHSKH-VGDOWDANSA-N 1 2 249.358 0.625 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353592 588784788 /nfs/dbraw/zinc/78/47/88/588784788.db2.gz ATLXDXMTQWHSKH-VGDOWDANSA-N 1 2 249.358 0.625 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353250 588784812 /nfs/dbraw/zinc/78/48/12/588784812.db2.gz UOCWYVRYNFLKMO-JPOQUURFSA-N 1 2 237.347 0.459 20 0 BCADLO C/C=C(\C)C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353250 588784813 /nfs/dbraw/zinc/78/48/13/588784813.db2.gz UOCWYVRYNFLKMO-JPOQUURFSA-N 1 2 237.347 0.459 20 0 BCADLO C[NH+]1CCC(O[N-]C(=O)Cn2cc[nH+]c2)CC1 ZINC000854356501 588784870 /nfs/dbraw/zinc/78/48/70/588784870.db2.gz BSLRGLIIRZCGAL-UHFFFAOYSA-N 1 2 238.291 0.025 20 0 BCADLO CC1(C)SC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854387502 588785593 /nfs/dbraw/zinc/78/55/93/588785593.db2.gz ZMILEUDLBNMLQW-SSDOTTSWSA-N 1 2 225.317 0.962 20 0 BCADLO COC(OC)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000854464959 588788618 /nfs/dbraw/zinc/78/86/18/588788618.db2.gz SIWULSRBRQGFIV-QMMMGPOBSA-N 1 2 241.291 0.384 20 0 BCADLO COC(OC)[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000854464959 588788619 /nfs/dbraw/zinc/78/86/19/588788619.db2.gz SIWULSRBRQGFIV-QMMMGPOBSA-N 1 2 241.291 0.384 20 0 BCADLO CC1=NO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000854527928 588790626 /nfs/dbraw/zinc/79/06/26/588790626.db2.gz VZYPOYYNXMTFRC-JTQLQIEISA-N 1 2 234.259 0.390 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854527956 588790631 /nfs/dbraw/zinc/79/06/31/588790631.db2.gz WYVCJBLBSXLLGD-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO C=C=CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000854580703 588795343 /nfs/dbraw/zinc/79/53/43/588795343.db2.gz PVWYSBSQHHFIOY-JTQLQIEISA-N 1 2 217.272 0.903 20 0 BCADLO C[C@@H](NC(=O)[C@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000854594389 588796196 /nfs/dbraw/zinc/79/61/96/588796196.db2.gz KGAPJPFVNIEWFQ-HTRCEHHLSA-N 1 2 209.249 0.358 20 0 BCADLO COCn1ccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000854498281 588789683 /nfs/dbraw/zinc/78/96/83/588789683.db2.gz CBOFZZQHWKGRNW-UHFFFAOYSA-N 1 2 249.274 0.151 20 0 BCADLO COCC(C)(C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854605609 588796924 /nfs/dbraw/zinc/79/69/24/588796924.db2.gz UXRMYOOADSNYDJ-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOCC1CC1 ZINC000854639876 588798910 /nfs/dbraw/zinc/79/89/10/588798910.db2.gz ISYXLMOIBMNSPP-NXEZZACHSA-N 1 2 235.287 0.981 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CO)CC1 ZINC000854669868 588800308 /nfs/dbraw/zinc/80/03/08/588800308.db2.gz RXTKKUFJXMZKAT-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@H](O)C1CC1 ZINC000854685990 588801131 /nfs/dbraw/zinc/80/11/31/588801131.db2.gz OYQRDVVDYXASKZ-DTWKUNHWSA-N 1 2 221.260 0.215 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@@H](O)C1CC1 ZINC000854685991 588801180 /nfs/dbraw/zinc/80/11/80/588801180.db2.gz OYQRDVVDYXASKZ-IUCAKERBSA-N 1 2 221.260 0.215 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000854684513 588801183 /nfs/dbraw/zinc/80/11/83/588801183.db2.gz AGWRGTQNDNBTPJ-IUCAKERBSA-N 1 2 234.259 0.609 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1ncc[nH]1 ZINC000854686844 588801530 /nfs/dbraw/zinc/80/15/30/588801530.db2.gz ZHWAQRGTELURHL-SSDOTTSWSA-N 1 2 217.232 0.481 20 0 BCADLO C[C@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000854759786 588805026 /nfs/dbraw/zinc/80/50/26/588805026.db2.gz BHPRIIASNDIHCD-QMMMGPOBSA-N 1 2 225.292 0.570 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]1C1CC1 ZINC000854748863 588805286 /nfs/dbraw/zinc/80/52/86/588805286.db2.gz MILDITLMIZFOGV-VIFPVBQESA-N 1 2 205.261 0.963 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]1C1CC1 ZINC000854748862 588805300 /nfs/dbraw/zinc/80/53/00/588805300.db2.gz MILDITLMIZFOGV-SECBINFHSA-N 1 2 205.261 0.963 20 0 BCADLO CC1=NO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000854801483 588810892 /nfs/dbraw/zinc/81/08/92/588810892.db2.gz AFFJHXUFHIIOLR-VIFPVBQESA-N 1 2 236.275 0.623 20 0 BCADLO Cn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]c1=O ZINC000854841915 588813077 /nfs/dbraw/zinc/81/30/77/588813077.db2.gz PUCRXFXXZZPTQD-UHFFFAOYSA-N 1 2 249.274 0.514 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc2n(n1)CCCC2 ZINC000854897451 588815901 /nfs/dbraw/zinc/81/59/01/588815901.db2.gz ZRBGMFDRNWSUFI-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO C[NH+](C)CCONC(=O)C1(c2cccnc2)CC1 ZINC000854945025 588817464 /nfs/dbraw/zinc/81/74/64/588817464.db2.gz GWWOAHGTNZOMHQ-UHFFFAOYSA-N 1 2 249.314 0.723 20 0 BCADLO C[C@H](COCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855028861 588821373 /nfs/dbraw/zinc/82/13/73/588821373.db2.gz ZGLSFEPZGSVMIR-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1C[C@@H](CO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854964970 588819084 /nfs/dbraw/zinc/81/90/84/588819084.db2.gz TYIPOIDEANRXRA-NXEZZACHSA-N 1 2 237.303 0.429 20 0 BCADLO CCC[C@@H](C)[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855014009 588820420 /nfs/dbraw/zinc/82/04/20/588820420.db2.gz GKBJYYKCKZXVCU-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000855015871 588820526 /nfs/dbraw/zinc/82/05/26/588820526.db2.gz GSJMEVDIPBEMMO-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO CC(=O)OC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134788 588822837 /nfs/dbraw/zinc/82/28/37/588822837.db2.gz AALYWTKSRNTLRS-UHFFFAOYSA-N 1 2 239.275 0.710 20 0 BCADLO CC(=O)OC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134788 588822838 /nfs/dbraw/zinc/82/28/38/588822838.db2.gz AALYWTKSRNTLRS-UHFFFAOYSA-N 1 2 239.275 0.710 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135241 588823148 /nfs/dbraw/zinc/82/31/48/588823148.db2.gz GJQZEWBRKUMAFD-ZETCQYMHSA-N 1 2 240.263 0.113 20 0 BCADLO COC(=O)N[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135241 588823149 /nfs/dbraw/zinc/82/31/49/588823149.db2.gz GJQZEWBRKUMAFD-ZETCQYMHSA-N 1 2 240.263 0.113 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](O)C(C)(C)C ZINC000855135973 588823223 /nfs/dbraw/zinc/82/32/23/588823223.db2.gz KAMDIJGKSQAQDW-VIFPVBQESA-N 1 2 225.292 0.775 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](O)C(C)(C)C ZINC000855135973 588823224 /nfs/dbraw/zinc/82/32/24/588823224.db2.gz KAMDIJGKSQAQDW-VIFPVBQESA-N 1 2 225.292 0.775 20 0 BCADLO Cn1c(NC(=O)Cc2[nH]cc[nH+]2)nnc1C1CC1 ZINC000855251447 588826435 /nfs/dbraw/zinc/82/64/35/588826435.db2.gz MOVXAAGNKPTQEV-UHFFFAOYSA-N 1 2 246.274 0.597 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCCNC(=O)C1 ZINC000859115974 582483729 /nfs/dbraw/zinc/48/37/29/582483729.db2.gz LUXGNINRVOASOW-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1cnccc1C[N@H+]1CCCNC(=O)C1 ZINC000859115974 582483730 /nfs/dbraw/zinc/48/37/30/582483730.db2.gz LUXGNINRVOASOW-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO C[C@@]1(C2CC2)COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000890587485 582484599 /nfs/dbraw/zinc/48/45/99/582484599.db2.gz AVWUYAFXDJRWIU-ZDUSSCGKSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)F)[C@@H](C)CO1 ZINC000855413054 588831815 /nfs/dbraw/zinc/83/18/15/588831815.db2.gz ZKWZFSXTDMSGQD-VHSXEESVSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)F)[C@@H](C)CO1 ZINC000855413054 588831816 /nfs/dbraw/zinc/83/18/16/588831816.db2.gz ZKWZFSXTDMSGQD-VHSXEESVSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2(F)CC2)[C@H](C)CO1 ZINC000855408139 588831892 /nfs/dbraw/zinc/83/18/92/588831892.db2.gz QROFAOXGECXCJT-NXEZZACHSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(F)CC2)[C@H](C)CO1 ZINC000855408139 588831893 /nfs/dbraw/zinc/83/18/93/588831893.db2.gz QROFAOXGECXCJT-NXEZZACHSA-N 1 2 244.310 0.714 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H](O)C1CC1 ZINC000890713230 582511970 /nfs/dbraw/zinc/51/19/70/582511970.db2.gz FRJNZSDMJAXAPN-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@H](O)C1CC1 ZINC000890713230 582511973 /nfs/dbraw/zinc/51/19/73/582511973.db2.gz FRJNZSDMJAXAPN-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]2C[C@H]21 ZINC000804687818 582525698 /nfs/dbraw/zinc/52/56/98/582525698.db2.gz DTZNIQXEMLPMBA-IONNQARKSA-N 1 2 215.260 0.962 20 0 BCADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@H](C)O ZINC000890851733 582581076 /nfs/dbraw/zinc/58/10/76/582581076.db2.gz DEMZTPBGWOYVOC-VIFPVBQESA-N 1 2 233.271 0.640 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891034051 582598447 /nfs/dbraw/zinc/59/84/47/582598447.db2.gz KLEWDMCGHXOIRI-GHMZBOCLSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891034051 582598450 /nfs/dbraw/zinc/59/84/50/582598450.db2.gz KLEWDMCGHXOIRI-GHMZBOCLSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891034056 582598535 /nfs/dbraw/zinc/59/85/35/582598535.db2.gz KLEWDMCGHXOIRI-WDEREUQCSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891034056 582598537 /nfs/dbraw/zinc/59/85/37/582598537.db2.gz KLEWDMCGHXOIRI-WDEREUQCSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891052053 582603351 /nfs/dbraw/zinc/60/33/51/582603351.db2.gz YDFMWRNYLRKXPA-NEPJUHHUSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891052053 582603354 /nfs/dbraw/zinc/60/33/54/582603354.db2.gz YDFMWRNYLRKXPA-NEPJUHHUSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891052056 582603406 /nfs/dbraw/zinc/60/34/06/582603406.db2.gz YDFMWRNYLRKXPA-VXGBXAGGSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891052056 582603408 /nfs/dbraw/zinc/60/34/08/582603408.db2.gz YDFMWRNYLRKXPA-VXGBXAGGSA-N 1 2 249.314 0.884 20 0 BCADLO Cc1ccc(NC(=O)c2nnn(C)n2)c(C)[nH+]1 ZINC000889464768 582663924 /nfs/dbraw/zinc/66/39/24/582663924.db2.gz MOCNHZAMBCFAMJ-UHFFFAOYSA-N 1 2 232.247 0.474 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnsn1 ZINC000846798606 582665714 /nfs/dbraw/zinc/66/57/14/582665714.db2.gz KQGHHWSRXWTJLM-SFYZADRCSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnsn1 ZINC000846798606 582665718 /nfs/dbraw/zinc/66/57/18/582665718.db2.gz KQGHHWSRXWTJLM-SFYZADRCSA-N 1 2 240.332 0.624 20 0 BCADLO Nc1nc(N2CCC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000891430911 582683823 /nfs/dbraw/zinc/68/38/23/582683823.db2.gz LPMUJQNDRFXYFA-QMMMGPOBSA-N 1 2 235.291 0.292 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCC[C@H](O)C2)n1 ZINC000891430911 582683826 /nfs/dbraw/zinc/68/38/26/582683826.db2.gz LPMUJQNDRFXYFA-QMMMGPOBSA-N 1 2 235.291 0.292 20 0 BCADLO CN(C)C(=O)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891494828 582693390 /nfs/dbraw/zinc/69/33/90/582693390.db2.gz KIJAFLQRLKSSPE-UHFFFAOYSA-N 1 2 236.319 0.738 20 0 BCADLO C[C@@H](O)c1cccc(NCC(=O)N(C)C)[nH+]1 ZINC000891546274 582695853 /nfs/dbraw/zinc/69/58/53/582695853.db2.gz TYDFCOAXADPOCW-MRVPVSSYSA-N 1 2 223.276 0.635 20 0 BCADLO CCNC(=O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000891555952 582696862 /nfs/dbraw/zinc/69/68/62/582696862.db2.gz SEIINGLTTQCOTH-MRVPVSSYSA-N 1 2 223.276 0.683 20 0 BCADLO CNC(=O)[C@H]1CCCN1Cc1[nH+]ccn1C1CC1 ZINC000891728573 582714891 /nfs/dbraw/zinc/71/48/91/582714891.db2.gz MCERVCYLKQVKIF-LLVKDONJSA-N 1 2 248.330 0.928 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nccn1C1CC1 ZINC000891728573 582714892 /nfs/dbraw/zinc/71/48/92/582714892.db2.gz MCERVCYLKQVKIF-LLVKDONJSA-N 1 2 248.330 0.928 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nccn1C1CC1 ZINC000891728573 582714894 /nfs/dbraw/zinc/71/48/94/582714894.db2.gz MCERVCYLKQVKIF-LLVKDONJSA-N 1 2 248.330 0.928 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cnc(CO)cn1 ZINC000891783355 582719862 /nfs/dbraw/zinc/71/98/62/582719862.db2.gz FJTLBCMJUWVPDY-VIFPVBQESA-N 1 2 233.275 0.666 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCNC(=O)C2)cc[nH+]1 ZINC000891831908 582728497 /nfs/dbraw/zinc/72/84/97/582728497.db2.gz CISCVTCWYSHEOD-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2c1OCC2 ZINC000891850841 582729550 /nfs/dbraw/zinc/72/95/50/582729550.db2.gz ZYUUVKDSOZKPCP-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1OCC2 ZINC000891850841 582729552 /nfs/dbraw/zinc/72/95/52/582729552.db2.gz ZYUUVKDSOZKPCP-JTQLQIEISA-N 1 2 246.310 0.942 20 0 BCADLO C[C@@H](O)c1cccc(NC[C@H]2COCCO2)[nH+]1 ZINC000891919250 582737712 /nfs/dbraw/zinc/73/77/12/582737712.db2.gz WVEBUPWHBTXPSP-ZJUUUORDSA-N 1 2 238.287 0.962 20 0 BCADLO COCCN(C)c1nccn2c[nH+]cc12 ZINC000891940453 582741764 /nfs/dbraw/zinc/74/17/64/582741764.db2.gz JCKWHUSJOUYBDY-UHFFFAOYSA-N 1 2 206.249 0.812 20 0 BCADLO CN(C)c1cc(N[C@H]2CCCCNC2=O)[nH+]cn1 ZINC000891961097 582748154 /nfs/dbraw/zinc/74/81/54/582748154.db2.gz WHQYXRRZJJOTCH-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CN(C)c1cc(N[C@H]2CCCCNC2=O)nc[nH+]1 ZINC000891961097 582748157 /nfs/dbraw/zinc/74/81/57/582748157.db2.gz WHQYXRRZJJOTCH-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO COCOCCCNC(=O)CCn1cc[nH+]c1 ZINC000848170155 582750105 /nfs/dbraw/zinc/75/01/05/582750105.db2.gz FMCYJDASDAJFFA-UHFFFAOYSA-N 1 2 241.291 0.400 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000855833047 588849677 /nfs/dbraw/zinc/84/96/77/588849677.db2.gz GESBLCAGXVZUKX-CABZTGNLSA-N 1 2 235.287 0.447 20 0 BCADLO O=C(NN1CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000891996618 582756959 /nfs/dbraw/zinc/75/69/59/582756959.db2.gz ZXDCBEPBJOFQOX-UHFFFAOYSA-N 1 2 246.270 0.540 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000855923632 588854099 /nfs/dbraw/zinc/85/40/99/588854099.db2.gz RJEAQCPVULMEKU-RKDXNWHRSA-N 1 2 235.287 0.372 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000855930587 588854200 /nfs/dbraw/zinc/85/42/00/588854200.db2.gz JIQKYFOHCUCMJB-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000889336827 582848329 /nfs/dbraw/zinc/84/83/29/582848329.db2.gz IQPJVKYNUMDRBI-WDEREUQCSA-N 1 2 237.303 0.598 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)CCn1cc[nH+]c1 ZINC000889349021 582857865 /nfs/dbraw/zinc/85/78/65/582857865.db2.gz IFLDOCGXVKFQSK-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCOC2)nc[nH+]1 ZINC000892404537 582877649 /nfs/dbraw/zinc/87/76/49/582877649.db2.gz HXSAIPWHAOJLFA-SECBINFHSA-N 1 2 222.292 0.768 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCOC2)[nH+]cn1 ZINC000892404537 582877652 /nfs/dbraw/zinc/87/76/52/582877652.db2.gz HXSAIPWHAOJLFA-SECBINFHSA-N 1 2 222.292 0.768 20 0 BCADLO CC[S@@](=O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000892453727 582890448 /nfs/dbraw/zinc/89/04/48/582890448.db2.gz WBSPMEXDEXDKBQ-MRXNPFEDSA-N 1 2 242.348 0.723 20 0 BCADLO C[C@@H](O)c1cccc(NCC[S@@](C)=O)[nH+]1 ZINC000892571923 582917167 /nfs/dbraw/zinc/91/71/67/582917167.db2.gz RVOVRDGGVVWRLM-ANRSDYALSA-N 1 2 228.317 0.925 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N2CCCC2)CCO1 ZINC000725856491 582923083 /nfs/dbraw/zinc/92/30/83/582923083.db2.gz QAIAJOHJYDFSGO-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCCC2)CCO1 ZINC000725856491 582923084 /nfs/dbraw/zinc/92/30/84/582923084.db2.gz QAIAJOHJYDFSGO-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO Nc1nc(N2CC[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000892637755 582935066 /nfs/dbraw/zinc/93/50/66/582935066.db2.gz QODIAQOAJYGNLG-SSDOTTSWSA-N 1 2 235.291 0.150 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CC[C@@H](CO)C2)n1 ZINC000892637755 582935067 /nfs/dbraw/zinc/93/50/67/582935067.db2.gz QODIAQOAJYGNLG-SSDOTTSWSA-N 1 2 235.291 0.150 20 0 BCADLO Nc1nc(N[C@H](CCO)C2CC2)nc(C2CC2)[nH+]1 ZINC000892656904 582941798 /nfs/dbraw/zinc/94/17/98/582941798.db2.gz HTPKHPLJXMJXQV-SECBINFHSA-N 1 2 249.318 0.904 20 0 BCADLO Nc1nc(N[C@H](CCO)C2CC2)[nH+]c(C2CC2)n1 ZINC000892656904 582941800 /nfs/dbraw/zinc/94/18/00/582941800.db2.gz HTPKHPLJXMJXQV-SECBINFHSA-N 1 2 249.318 0.904 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000226213078 582966977 /nfs/dbraw/zinc/96/69/77/582966977.db2.gz IOENAVWRSZDWGA-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000226213078 582966981 /nfs/dbraw/zinc/96/69/81/582966981.db2.gz IOENAVWRSZDWGA-SNVBAGLBSA-N 1 2 211.265 0.589 20 0 BCADLO C[C@@H](NC(=O)c1ccnnc1)c1[nH+]ccn1C ZINC000856277690 588866624 /nfs/dbraw/zinc/86/66/24/588866624.db2.gz OMFDZOKMAJCWRA-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)c1[nH+]ccn1C ZINC000856280996 588866789 /nfs/dbraw/zinc/86/67/89/588866789.db2.gz KUVPGRVDJKHVCE-SSDOTTSWSA-N 1 2 249.274 0.350 20 0 BCADLO CCN(CC(=O)NC)c1nccn2c[nH+]cc12 ZINC000892780154 582980445 /nfs/dbraw/zinc/98/04/45/582980445.db2.gz TZFYACWVTNBOHF-UHFFFAOYSA-N 1 2 233.275 0.302 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1nccn2c[nH+]cc12 ZINC000892790569 582982547 /nfs/dbraw/zinc/98/25/47/582982547.db2.gz FSLAXDZKSXGWHV-VIFPVBQESA-N 1 2 247.302 0.548 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892826496 582989601 /nfs/dbraw/zinc/98/96/01/582989601.db2.gz KEVMIKQHYZQWAW-SECBINFHSA-N 1 2 249.318 0.257 20 0 BCADLO CC[C@@H]1C(=O)NCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892826496 582989603 /nfs/dbraw/zinc/98/96/03/582989603.db2.gz KEVMIKQHYZQWAW-SECBINFHSA-N 1 2 249.318 0.257 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cnon1 ZINC000852002302 582992404 /nfs/dbraw/zinc/99/24/04/582992404.db2.gz CCZHMPSYBZWERF-WCBMZHEXSA-N 1 2 227.264 0.041 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnon1 ZINC000852002302 582992406 /nfs/dbraw/zinc/99/24/06/582992406.db2.gz CCZHMPSYBZWERF-WCBMZHEXSA-N 1 2 227.264 0.041 20 0 BCADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000852016996 582992836 /nfs/dbraw/zinc/99/28/36/582992836.db2.gz PYGNPBMMXMFSAN-RKDXNWHRSA-N 1 2 239.262 0.614 20 0 BCADLO COC[C@@H](C[N@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000852016996 582992837 /nfs/dbraw/zinc/99/28/37/582992837.db2.gz PYGNPBMMXMFSAN-RKDXNWHRSA-N 1 2 239.262 0.614 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1c1nccn2c[nH+]cc12 ZINC000892944069 583014293 /nfs/dbraw/zinc/01/42/93/583014293.db2.gz NUDKPIPTZQXAED-VHSXEESVSA-N 1 2 248.286 0.315 20 0 BCADLO CCc1cc(N(C)[C@H]2CCNC2=O)nc(CC)[nH+]1 ZINC000893019891 583031084 /nfs/dbraw/zinc/03/10/84/583031084.db2.gz UUIDPPCYJKHCSN-JTQLQIEISA-N 1 2 248.330 0.926 20 0 BCADLO C[C@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000893080907 583044910 /nfs/dbraw/zinc/04/49/10/583044910.db2.gz VAHNPFHNHPYZPN-POYBYMJQSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@H]1O ZINC000893080907 583044913 /nfs/dbraw/zinc/04/49/13/583044913.db2.gz VAHNPFHNHPYZPN-POYBYMJQSA-N 1 2 235.291 0.148 20 0 BCADLO CCc1cc(N[C@H]2CNC(=O)C2)nc(CC)[nH+]1 ZINC000893102154 583049644 /nfs/dbraw/zinc/04/96/44/583049644.db2.gz MBXCNMLURUGOLE-SECBINFHSA-N 1 2 234.303 0.902 20 0 BCADLO COC[C@@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000893116519 583051567 /nfs/dbraw/zinc/05/15/67/583051567.db2.gz HPESUPGSFHSRFP-SECBINFHSA-N 1 2 240.307 0.616 20 0 BCADLO COC[C@@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000893116519 583051569 /nfs/dbraw/zinc/05/15/69/583051569.db2.gz HPESUPGSFHSRFP-SECBINFHSA-N 1 2 240.307 0.616 20 0 BCADLO CCN1CCN(c2nccn3c[nH+]cc23)CC1=O ZINC000893164455 583060744 /nfs/dbraw/zinc/06/07/44/583060744.db2.gz RBVQLSUAUGJFAR-UHFFFAOYSA-N 1 2 245.286 0.398 20 0 BCADLO CN(C)c1cc(NCCc2ccn(C)n2)[nH+]cn1 ZINC000893178635 583064936 /nfs/dbraw/zinc/06/49/36/583064936.db2.gz FZYMXQWZIOXWHE-UHFFFAOYSA-N 1 2 246.318 0.931 20 0 BCADLO CN(C)c1cc(NCCc2ccn(C)n2)nc[nH+]1 ZINC000893178635 583064937 /nfs/dbraw/zinc/06/49/37/583064937.db2.gz FZYMXQWZIOXWHE-UHFFFAOYSA-N 1 2 246.318 0.931 20 0 BCADLO CCO/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000840585048 583065796 /nfs/dbraw/zinc/06/57/96/583065796.db2.gz NNQPZAXRKSMDFV-XVNBXDOJSA-N 1 2 229.276 0.412 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[C@@H]1O ZINC000893269081 583081204 /nfs/dbraw/zinc/08/12/04/583081204.db2.gz LOJGNFRNJYIEQK-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CC[C@@H]1O ZINC000893269081 583081205 /nfs/dbraw/zinc/08/12/05/583081205.db2.gz LOJGNFRNJYIEQK-ZJUUUORDSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1c1nccn2c[nH+]cc12 ZINC000893272459 583081925 /nfs/dbraw/zinc/08/19/25/583081925.db2.gz FOYMTEGRIBNOKE-SECBINFHSA-N 1 2 245.286 0.396 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnc(C)n1 ZINC000397014214 583095578 /nfs/dbraw/zinc/09/55/78/583095578.db2.gz PSRKCDNITWHSTK-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CCO/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000840593145 583109576 /nfs/dbraw/zinc/10/95/76/583109576.db2.gz ZEDQTIUPOVQQHB-TZOMUSMUSA-N 1 2 243.303 0.801 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(C)nc1Cl ZINC000856765374 583124146 /nfs/dbraw/zinc/12/41/46/583124146.db2.gz YRLJBDUSEDMVGN-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO CNc1cc(N(CCO)CCCOC)nc[nH+]1 ZINC000893376392 583132184 /nfs/dbraw/zinc/13/21/84/583132184.db2.gz KKZGAQJYUUEECR-UHFFFAOYSA-N 1 2 240.307 0.354 20 0 BCADLO CNc1cc(N(CCO)CCCOC)[nH+]cn1 ZINC000893376392 583132185 /nfs/dbraw/zinc/13/21/85/583132185.db2.gz KKZGAQJYUUEECR-UHFFFAOYSA-N 1 2 240.307 0.354 20 0 BCADLO CNc1cc(N[C@H](C)c2ncnn2C)nc[nH+]1 ZINC000893434192 583142602 /nfs/dbraw/zinc/14/26/02/583142602.db2.gz RMUAUTNNDWUBJK-SSDOTTSWSA-N 1 2 233.279 0.820 20 0 BCADLO CNc1cc(N[C@H](C)c2ncnn2C)[nH+]cn1 ZINC000893434192 583142605 /nfs/dbraw/zinc/14/26/05/583142605.db2.gz RMUAUTNNDWUBJK-SSDOTTSWSA-N 1 2 233.279 0.820 20 0 BCADLO CN(C)c1cc(NCc2cccnn2)[nH+]cn1 ZINC000893521878 583156856 /nfs/dbraw/zinc/15/68/56/583156856.db2.gz JJMDDRKLEBSNRU-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO CN(C)c1cc(NCc2cccnn2)nc[nH+]1 ZINC000893521878 583156858 /nfs/dbraw/zinc/15/68/58/583156858.db2.gz JJMDDRKLEBSNRU-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(Cl)n1 ZINC000857040354 588883245 /nfs/dbraw/zinc/88/32/45/588883245.db2.gz XONIREFPMCAQBM-IUCAKERBSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(Cl)n1 ZINC000857040354 588883246 /nfs/dbraw/zinc/88/32/46/588883246.db2.gz XONIREFPMCAQBM-IUCAKERBSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1cc(C[NH2+]C2(C(N)=O)CC2)c(Cl)n1 ZINC000857038711 588883281 /nfs/dbraw/zinc/88/32/81/588883281.db2.gz CJPIZGOZXIZORU-UHFFFAOYSA-N 1 2 228.683 0.181 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2Cl)C[C@H]1O ZINC000857046911 588883871 /nfs/dbraw/zinc/88/38/71/588883871.db2.gz HRDZRHMIDQAOBU-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2Cl)C[C@H]1O ZINC000857046911 588883872 /nfs/dbraw/zinc/88/38/72/588883872.db2.gz HRDZRHMIDQAOBU-RKDXNWHRSA-N 1 2 245.710 0.265 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cn(C)nc2Cl)C1 ZINC000857046288 588883942 /nfs/dbraw/zinc/88/39/42/588883942.db2.gz BOAFEVVMJMKKQW-UHFFFAOYSA-N 1 2 242.710 0.251 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888859 583208825 /nfs/dbraw/zinc/20/88/25/583208825.db2.gz FCHIIUDIAUERHO-SCZZXKLOSA-N 1 2 237.303 0.331 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1[nH+]ccn1C1CC1 ZINC000893710214 583208857 /nfs/dbraw/zinc/20/88/57/583208857.db2.gz DSXNYPUPJPCENZ-JTQLQIEISA-N 1 2 248.330 0.881 20 0 BCADLO Cn1cc(CNCC[NH+]2CCC2)c(Cl)n1 ZINC000856775127 588876967 /nfs/dbraw/zinc/87/69/67/588876967.db2.gz FGTVAQRZTGVTSN-UHFFFAOYSA-N 1 2 228.727 0.869 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000893864646 583234671 /nfs/dbraw/zinc/23/46/71/583234671.db2.gz XXGAVKNMUYKYAF-SNVBAGLBSA-N 1 2 236.319 0.724 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000893864646 583234672 /nfs/dbraw/zinc/23/46/72/583234672.db2.gz XXGAVKNMUYKYAF-SNVBAGLBSA-N 1 2 236.319 0.724 20 0 BCADLO C[C@@H](O)c1cccc(NCc2cnnn2C)[nH+]1 ZINC000893877737 583239554 /nfs/dbraw/zinc/23/95/54/583239554.db2.gz JVNKPMPHBUSYLL-MRVPVSSYSA-N 1 2 233.275 0.876 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1Cc1[nH+]ccn1C1CC1 ZINC000893886503 583241864 /nfs/dbraw/zinc/24/18/64/583241864.db2.gz VBBICGFGWXMEHG-JTQLQIEISA-N 1 2 248.330 0.881 20 0 BCADLO Cc1noc2ncc(C[N@H+](C)CC(N)=O)cc12 ZINC000893922626 583247985 /nfs/dbraw/zinc/24/79/85/583247985.db2.gz AUXIMBYFKFMEGL-UHFFFAOYSA-N 1 2 234.259 0.448 20 0 BCADLO Cc1noc2ncc(C[N@@H+](C)CC(N)=O)cc12 ZINC000893922626 583247986 /nfs/dbraw/zinc/24/79/86/583247986.db2.gz AUXIMBYFKFMEGL-UHFFFAOYSA-N 1 2 234.259 0.448 20 0 BCADLO c1csc(N2CC(C[NH+]3CCOCC3)C2)n1 ZINC000893944175 583255741 /nfs/dbraw/zinc/25/57/41/583255741.db2.gz WFRZPYRUXLYOCZ-UHFFFAOYSA-N 1 2 239.344 0.912 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc2c1OCC2 ZINC000893964893 583262422 /nfs/dbraw/zinc/26/24/22/583262422.db2.gz HHTCKHOSKPPGCN-UHFFFAOYSA-N 1 2 234.299 0.929 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc2c1OCC2 ZINC000893964893 583262424 /nfs/dbraw/zinc/26/24/24/583262424.db2.gz HHTCKHOSKPPGCN-UHFFFAOYSA-N 1 2 234.299 0.929 20 0 BCADLO CCn1cc(C[N@H+](CC)CC(N)=O)c(C)n1 ZINC000893965435 583262698 /nfs/dbraw/zinc/26/26/98/583262698.db2.gz PLJRYPLAXSYNOC-UHFFFAOYSA-N 1 2 224.308 0.519 20 0 BCADLO CCn1cc(C[N@@H+](CC)CC(N)=O)c(C)n1 ZINC000893965435 583262701 /nfs/dbraw/zinc/26/27/01/583262701.db2.gz PLJRYPLAXSYNOC-UHFFFAOYSA-N 1 2 224.308 0.519 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1[nH]nc(C)c1C ZINC000893969981 583263400 /nfs/dbraw/zinc/26/34/00/583263400.db2.gz VYXVPSLCVVVRDT-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1[nH]nc(C)c1C ZINC000893969981 583263403 /nfs/dbraw/zinc/26/34/03/583263403.db2.gz VYXVPSLCVVVRDT-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCC3(C2)OCCO3)c1C ZINC000893994945 583267582 /nfs/dbraw/zinc/26/75/82/583267582.db2.gz FVHWJECPOIBXKO-UHFFFAOYSA-N 1 2 237.303 0.975 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCC3(C2)OCCO3)c1C ZINC000893994945 583267584 /nfs/dbraw/zinc/26/75/84/583267584.db2.gz FVHWJECPOIBXKO-UHFFFAOYSA-N 1 2 237.303 0.975 20 0 BCADLO CC(C)c1c[nH]c(CN2CCNC(=O)CC2)[nH+]1 ZINC000894003473 583272184 /nfs/dbraw/zinc/27/21/84/583272184.db2.gz KPTZEZVFMBCUJT-UHFFFAOYSA-N 1 2 236.319 0.855 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCN(C)C(=O)C1 ZINC000894032663 583277260 /nfs/dbraw/zinc/27/72/60/583277260.db2.gz QVCSJEREKXLALT-UHFFFAOYSA-N 1 2 234.303 0.246 20 0 BCADLO COC[C@H](OC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000857141176 588890504 /nfs/dbraw/zinc/89/05/04/588890504.db2.gz QTEKUYNZIUZSGE-VIFPVBQESA-N 1 2 249.270 0.934 20 0 BCADLO CN(C)c1cc(N2CC(C)(CO)C2)nc[nH+]1 ZINC000894076771 583297122 /nfs/dbraw/zinc/29/71/22/583297122.db2.gz CJSPSKXERPVECD-UHFFFAOYSA-N 1 2 222.292 0.361 20 0 BCADLO CN(C)c1cc(N2CC(C)(CO)C2)[nH+]cn1 ZINC000894076771 583297124 /nfs/dbraw/zinc/29/71/24/583297124.db2.gz CJSPSKXERPVECD-UHFFFAOYSA-N 1 2 222.292 0.361 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC2(C)C)C1 ZINC000332789755 583301942 /nfs/dbraw/zinc/30/19/42/583301942.db2.gz UJULQZLRWKVEOP-VHSXEESVSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC2(C)C)C1 ZINC000332789755 583301944 /nfs/dbraw/zinc/30/19/44/583301944.db2.gz UJULQZLRWKVEOP-VHSXEESVSA-N 1 2 241.335 0.415 20 0 BCADLO COC(=O)NCCNc1cccc([C@H](C)O)[nH+]1 ZINC000894113419 583308753 /nfs/dbraw/zinc/30/87/53/583308753.db2.gz OGQJKNULNZFWPQ-QMMMGPOBSA-N 1 2 239.275 0.903 20 0 BCADLO CNc1cc(NC[C@]2(C)CCC(=O)N2)[nH+]cn1 ZINC000894139561 583315768 /nfs/dbraw/zinc/31/57/68/583315768.db2.gz MOYLAUWPCLNIHE-NSHDSACASA-N 1 2 235.291 0.599 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894168225 583324528 /nfs/dbraw/zinc/32/45/28/583324528.db2.gz QWLQDXRCHUYTHO-QMMMGPOBSA-N 1 2 243.332 0.512 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253373 583343572 /nfs/dbraw/zinc/34/35/72/583343572.db2.gz BFDRFYRYWLTVKV-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253373 583343574 /nfs/dbraw/zinc/34/35/74/583343574.db2.gz BFDRFYRYWLTVKV-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726252397 583343835 /nfs/dbraw/zinc/34/38/35/583343835.db2.gz GPWJGWOGOLTOMQ-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726252397 583343837 /nfs/dbraw/zinc/34/38/37/583343837.db2.gz GPWJGWOGOLTOMQ-MNOVXSKESA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726252395 583343975 /nfs/dbraw/zinc/34/39/75/583343975.db2.gz GPWJGWOGOLTOMQ-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@@H]1CCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726252395 583343978 /nfs/dbraw/zinc/34/39/78/583343978.db2.gz GPWJGWOGOLTOMQ-GHMZBOCLSA-N 1 2 241.335 0.511 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000867524165 583346947 /nfs/dbraw/zinc/34/69/47/583346947.db2.gz PFBQEOPTDFSILY-RNSXUZJQSA-N 1 2 249.270 0.166 20 0 BCADLO CON(C)C(=O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894248360 583390797 /nfs/dbraw/zinc/39/07/97/583390797.db2.gz LRXNPSIAIVFBJK-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cocn2)C1(F)F ZINC000894276052 583405775 /nfs/dbraw/zinc/40/57/75/583405775.db2.gz MMGSZEMGOYLAOJ-JGVFFNPUSA-N 1 2 246.213 0.819 20 0 BCADLO C[C@H]1C[N@H+](CN2CCC2=O)CC(C)(C)O1 ZINC000857231372 588896764 /nfs/dbraw/zinc/89/67/64/588896764.db2.gz GSABZQHGZKBOFV-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCC2=O)CC(C)(C)O1 ZINC000857231372 588896766 /nfs/dbraw/zinc/89/67/66/588896766.db2.gz GSABZQHGZKBOFV-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO COc1cccc2c1C[N@H+](CCn1cnnn1)C2 ZINC000879054240 583418798 /nfs/dbraw/zinc/41/87/98/583418798.db2.gz MHHWUCVPCOJZSM-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cccc2c1C[N@@H+](CCn1cnnn1)C2 ZINC000879054240 583418800 /nfs/dbraw/zinc/41/88/00/583418800.db2.gz MHHWUCVPCOJZSM-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)CN1CCC1=O ZINC000857232023 588897541 /nfs/dbraw/zinc/89/75/41/588897541.db2.gz YTTUTMNQVZEGDT-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)CN1CCC1=O ZINC000857232023 588897543 /nfs/dbraw/zinc/89/75/43/588897543.db2.gz YTTUTMNQVZEGDT-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccon2)C1(F)F ZINC000894323407 583422279 /nfs/dbraw/zinc/42/22/79/583422279.db2.gz GDKQROQMOUPJPD-HTQZYQBOSA-N 1 2 246.213 0.819 20 0 BCADLO C[N@H+](C[C@H]1CCCCO1)CN1CCC1=O ZINC000857232024 588897638 /nfs/dbraw/zinc/89/76/38/588897638.db2.gz YTTUTMNQVZEGDT-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO C[N@@H+](C[C@H]1CCCCO1)CN1CCC1=O ZINC000857232024 588897640 /nfs/dbraw/zinc/89/76/40/588897640.db2.gz YTTUTMNQVZEGDT-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCC2=O)C[C@H](C)O1 ZINC000857232276 588897708 /nfs/dbraw/zinc/89/77/08/588897708.db2.gz ADGKJVSUDRGYIN-VHSXEESVSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCC2=O)C[C@H](C)O1 ZINC000857232276 588897709 /nfs/dbraw/zinc/89/77/09/588897709.db2.gz ADGKJVSUDRGYIN-VHSXEESVSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCC2=O)C[C@@H](C)O1 ZINC000857232272 588897768 /nfs/dbraw/zinc/89/77/68/588897768.db2.gz ADGKJVSUDRGYIN-NXEZZACHSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCC2=O)C[C@@H](C)O1 ZINC000857232272 588897770 /nfs/dbraw/zinc/89/77/70/588897770.db2.gz ADGKJVSUDRGYIN-NXEZZACHSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCC2=O)C[C@@H](C)O1 ZINC000857232278 588897915 /nfs/dbraw/zinc/89/79/15/588897915.db2.gz ADGKJVSUDRGYIN-ZJUUUORDSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCC2=O)C[C@@H](C)O1 ZINC000857232278 588897916 /nfs/dbraw/zinc/89/79/16/588897916.db2.gz ADGKJVSUDRGYIN-ZJUUUORDSA-N 1 2 212.293 0.676 20 0 BCADLO Cc1ncoc1CN[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000894345225 583430385 /nfs/dbraw/zinc/43/03/85/583430385.db2.gz FLZLMHBJAICYJD-ZYHUDNBSSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncoc1CN[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000894345225 583430388 /nfs/dbraw/zinc/43/03/88/583430388.db2.gz FLZLMHBJAICYJD-ZYHUDNBSSA-N 1 2 239.319 0.792 20 0 BCADLO C[C@@H](C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000748145154 583433280 /nfs/dbraw/zinc/43/32/80/583433280.db2.gz WPUWRNGMBYOFHK-SNVBAGLBSA-N 1 2 227.304 0.908 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc(N(C)C)[nH+]cn1 ZINC000894365650 583439194 /nfs/dbraw/zinc/43/91/94/583439194.db2.gz ZCXMPPLZTCSTJA-MRVPVSSYSA-N 1 2 235.291 0.167 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc(N(C)C)nc[nH+]1 ZINC000894365650 583439197 /nfs/dbraw/zinc/43/91/97/583439197.db2.gz ZCXMPPLZTCSTJA-MRVPVSSYSA-N 1 2 235.291 0.167 20 0 BCADLO C[C@@H]1[N@H+](CN2CCC2=O)CCOC1(C)C ZINC000857235271 588898889 /nfs/dbraw/zinc/89/88/89/588898889.db2.gz QIPAGVUMWLJWNY-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1[N@@H+](CN2CCC2=O)CCOC1(C)C ZINC000857235271 588898891 /nfs/dbraw/zinc/89/88/91/588898891.db2.gz QIPAGVUMWLJWNY-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](CN1CCC1=O)CCO2 ZINC000857234802 588898966 /nfs/dbraw/zinc/89/89/66/588898966.db2.gz MPMXCTDEVOKCNH-CMPLNLGQSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](CN1CCC1=O)CCO2 ZINC000857234802 588898967 /nfs/dbraw/zinc/89/89/67/588898967.db2.gz MPMXCTDEVOKCNH-CMPLNLGQSA-N 1 2 240.303 0.056 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000879743710 583445459 /nfs/dbraw/zinc/44/54/59/583445459.db2.gz CIFQTOBNIPNTQE-ZRUFSTJUSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000879743710 583445462 /nfs/dbraw/zinc/44/54/62/583445462.db2.gz CIFQTOBNIPNTQE-ZRUFSTJUSA-N 1 2 243.303 0.162 20 0 BCADLO COCCCOCC[N@H+](C)CN1CCC1=O ZINC000857234568 588899372 /nfs/dbraw/zinc/89/93/72/588899372.db2.gz SJZSACNMWYMHNG-UHFFFAOYSA-N 1 2 230.308 0.161 20 0 BCADLO COCCCOCC[N@@H+](C)CN1CCC1=O ZINC000857234568 588899373 /nfs/dbraw/zinc/89/93/73/588899373.db2.gz SJZSACNMWYMHNG-UHFFFAOYSA-N 1 2 230.308 0.161 20 0 BCADLO CCONC(=O)CNc1cc(N)[nH+]cc1Cl ZINC000894398015 583448366 /nfs/dbraw/zinc/44/83/66/583448366.db2.gz JTSBHJKCVQCAJY-UHFFFAOYSA-N 1 2 244.682 0.797 20 0 BCADLO CN(C)c1cc(N[C@H](CO)CCF)[nH+]cn1 ZINC000894402965 583450269 /nfs/dbraw/zinc/45/02/69/583450269.db2.gz OFWCOEQCGIBTNM-QMMMGPOBSA-N 1 2 228.271 0.675 20 0 BCADLO CN(C)c1cc(N[C@H](CO)CCF)nc[nH+]1 ZINC000894402965 583450271 /nfs/dbraw/zinc/45/02/71/583450271.db2.gz OFWCOEQCGIBTNM-QMMMGPOBSA-N 1 2 228.271 0.675 20 0 BCADLO CO[C@](C)(CO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894421832 583457835 /nfs/dbraw/zinc/45/78/35/583457835.db2.gz GEWGDXJYINXJHW-CABZTGNLSA-N 1 2 240.303 0.944 20 0 BCADLO COC(=O)c1cnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000894450494 583462674 /nfs/dbraw/zinc/46/26/74/583462674.db2.gz JLHPRARZWMWBTK-SSDOTTSWSA-N 1 2 244.316 0.742 20 0 BCADLO COC(=O)c1cnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000894450494 583462676 /nfs/dbraw/zinc/46/26/76/583462676.db2.gz JLHPRARZWMWBTK-SSDOTTSWSA-N 1 2 244.316 0.742 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nonc2C)[C@H]1OC ZINC000894465083 583466722 /nfs/dbraw/zinc/46/67/22/583466722.db2.gz RMGZNPBSTYKXRI-FBIMIBRVSA-N 1 2 241.291 0.660 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000894503839 583474104 /nfs/dbraw/zinc/47/41/04/583474104.db2.gz MAZCQURIYIHJGQ-SNVBAGLBSA-N 1 2 239.319 0.481 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000894503839 583474106 /nfs/dbraw/zinc/47/41/06/583474106.db2.gz MAZCQURIYIHJGQ-SNVBAGLBSA-N 1 2 239.319 0.481 20 0 BCADLO COC(=O)[C@@H](CF)NCc1[nH+]ccn1C1CC1 ZINC000894514195 583476113 /nfs/dbraw/zinc/47/61/13/583476113.db2.gz FQHLSESOTDOEON-SECBINFHSA-N 1 2 241.266 0.819 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1C ZINC000894539810 583480738 /nfs/dbraw/zinc/48/07/38/583480738.db2.gz WSDQIDYYRGEODC-OIBJUYFYSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C ZINC000894539810 583480740 /nfs/dbraw/zinc/48/07/40/583480740.db2.gz WSDQIDYYRGEODC-OIBJUYFYSA-N 1 2 209.293 0.982 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2ncc(C)o2)C1 ZINC000894542808 583481451 /nfs/dbraw/zinc/48/14/51/583481451.db2.gz ORQZYGYFFVLZTH-UHFFFAOYSA-N 1 2 239.275 0.913 20 0 BCADLO CCN1CN(Cc2c(C)cc[nH+]c2N)CC1=O ZINC000894554939 583483351 /nfs/dbraw/zinc/48/33/51/583483351.db2.gz CFPZXPHQTRLZPZ-UHFFFAOYSA-N 1 2 234.303 0.594 20 0 BCADLO CN(C)c1cc(N2CC[C@@]3(O)C[C@H]3C2)nc[nH+]1 ZINC000894565484 583484571 /nfs/dbraw/zinc/48/45/71/583484571.db2.gz KFHRSQGZCBYGCH-JOYOIKCWSA-N 1 2 234.303 0.504 20 0 BCADLO CN(C)c1cc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]cn1 ZINC000894565484 583484572 /nfs/dbraw/zinc/48/45/72/583484572.db2.gz KFHRSQGZCBYGCH-JOYOIKCWSA-N 1 2 234.303 0.504 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC000894573478 583487087 /nfs/dbraw/zinc/48/70/87/583487087.db2.gz ZBMXBOFNISGMIK-NXEZZACHSA-N 1 2 236.319 0.892 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC000894573478 583487088 /nfs/dbraw/zinc/48/70/88/583487088.db2.gz ZBMXBOFNISGMIK-NXEZZACHSA-N 1 2 236.319 0.892 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000894633285 583498404 /nfs/dbraw/zinc/49/84/04/583498404.db2.gz ZQNUHQIMWVEZLL-VGMNWLOBSA-N 1 2 229.276 0.479 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](O)C2)[nH+]cn1 ZINC000894641261 583498914 /nfs/dbraw/zinc/49/89/14/583498914.db2.gz QEBAVMDSRTTZRD-ZKCHVHJHSA-N 1 2 208.265 0.478 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000894641261 583498915 /nfs/dbraw/zinc/49/89/15/583498915.db2.gz QEBAVMDSRTTZRD-ZKCHVHJHSA-N 1 2 208.265 0.478 20 0 BCADLO Nc1nc(N[C@H]2C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000894641734 583499489 /nfs/dbraw/zinc/49/94/89/583499489.db2.gz XEEBPBCORRSJHR-LJGSYFOKSA-N 1 2 221.264 0.266 20 0 BCADLO Nc1nc(N[C@H]2C[C@H](O)C2)[nH+]c(C2CC2)n1 ZINC000894641734 583499491 /nfs/dbraw/zinc/49/94/91/583499491.db2.gz XEEBPBCORRSJHR-LJGSYFOKSA-N 1 2 221.264 0.266 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]cn1 ZINC000894731721 583514183 /nfs/dbraw/zinc/51/41/83/583514183.db2.gz UPBIKRSBDPXKMY-ZKCHVHJHSA-N 1 2 235.291 0.218 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000894731721 583514184 /nfs/dbraw/zinc/51/41/84/583514184.db2.gz UPBIKRSBDPXKMY-ZKCHVHJHSA-N 1 2 235.291 0.218 20 0 BCADLO CC(C)c1c[nH]c(C[N@H+](C)CCC(N)=O)n1 ZINC000894754754 583516393 /nfs/dbraw/zinc/51/63/93/583516393.db2.gz GPMOYFUCEAFZLY-UHFFFAOYSA-N 1 2 224.308 0.840 20 0 BCADLO CC(C)c1c[nH]c(C[N@@H+](C)CCC(N)=O)n1 ZINC000894754754 583516395 /nfs/dbraw/zinc/51/63/95/583516395.db2.gz GPMOYFUCEAFZLY-UHFFFAOYSA-N 1 2 224.308 0.840 20 0 BCADLO COC(=O)c1cnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000894770096 583516650 /nfs/dbraw/zinc/51/66/50/583516650.db2.gz KAVCLGRTOFOKML-ZETCQYMHSA-N 1 2 244.316 0.742 20 0 BCADLO COC(=O)c1cnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000894770096 583516652 /nfs/dbraw/zinc/51/66/52/583516652.db2.gz KAVCLGRTOFOKML-ZETCQYMHSA-N 1 2 244.316 0.742 20 0 BCADLO COC(=O)c1cnc(NCc2[nH]cc(C)[nH+]2)nc1 ZINC000894790740 583519581 /nfs/dbraw/zinc/51/95/81/583519581.db2.gz QIKDXJZAXWDUKO-UHFFFAOYSA-N 1 2 247.258 0.907 20 0 BCADLO CCn1cc(C[NH+]2CC3(C2)CCCOC3)nn1 ZINC000894827427 583526516 /nfs/dbraw/zinc/52/65/16/583526516.db2.gz CUNVYKJVZAQBLQ-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO Cn1cc(C[NH+]2CC(C)(O)C2)c(C2CC2)n1 ZINC000894830990 583527863 /nfs/dbraw/zinc/52/78/63/583527863.db2.gz QJROPLLYRLKFQC-UHFFFAOYSA-N 1 2 221.304 0.864 20 0 BCADLO CC1(CO)C[NH+](Cc2cnn(CCF)c2)C1 ZINC000894840025 583530131 /nfs/dbraw/zinc/53/01/31/583530131.db2.gz IFLQWSJEXQXNTI-UHFFFAOYSA-N 1 2 227.283 0.667 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH2+]C(CF)CF)C1(F)F ZINC000894872765 583540371 /nfs/dbraw/zinc/54/03/71/583540371.db2.gz ICKJPOLIEWGUME-RQJHMYQMSA-N 1 2 243.200 0.938 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)CCO ZINC000894896591 583550169 /nfs/dbraw/zinc/55/01/69/583550169.db2.gz FUTRVNNSNOINEK-WCBMZHEXSA-N 1 2 215.293 0.689 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000894906541 583553446 /nfs/dbraw/zinc/55/34/46/583553446.db2.gz LGKDMNVLLURRHO-SNVBAGLBSA-N 1 2 222.292 0.476 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000894906541 583553447 /nfs/dbraw/zinc/55/34/47/583553447.db2.gz LGKDMNVLLURRHO-SNVBAGLBSA-N 1 2 222.292 0.476 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH+]2CC(OC)C2)C1(F)F ZINC000894970593 583560744 /nfs/dbraw/zinc/56/07/44/583560744.db2.gz IDQSBONCNXBDCV-JGVFFNPUSA-N 1 2 235.230 0.371 20 0 BCADLO COC1CN(Cc2c(C)cc[nH+]c2N)C1 ZINC000894970655 583561470 /nfs/dbraw/zinc/56/14/70/583561470.db2.gz JLMZJIAZFSDNMX-UHFFFAOYSA-N 1 2 207.277 0.803 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H]1CCSC1 ZINC000894973131 583562249 /nfs/dbraw/zinc/56/22/49/583562249.db2.gz XYHCRYZLKXIFRL-WCBMZHEXSA-N 1 2 233.333 0.253 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCSC1 ZINC000894973132 583562446 /nfs/dbraw/zinc/56/24/46/583562446.db2.gz XYHCRYZLKXIFRL-WPRPVWTQSA-N 1 2 233.333 0.253 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000894975851 583562756 /nfs/dbraw/zinc/56/27/56/583562756.db2.gz OXEPZTCWLRZNIB-ZYHUDNBSSA-N 1 2 227.304 0.856 20 0 BCADLO FC(F)OC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894978498 583563050 /nfs/dbraw/zinc/56/30/50/583563050.db2.gz HTBAGGHPDBEAFS-UHFFFAOYSA-N 1 2 203.192 0.833 20 0 BCADLO FC(F)OC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894978498 583563051 /nfs/dbraw/zinc/56/30/51/583563051.db2.gz HTBAGGHPDBEAFS-UHFFFAOYSA-N 1 2 203.192 0.833 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH+]2CC(C)(O)C2)C1(F)F ZINC000894977469 583563138 /nfs/dbraw/zinc/56/31/38/583563138.db2.gz SPKZEQCTTSLNQW-BQBZGAKWSA-N 1 2 235.230 0.107 20 0 BCADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)[nH]1 ZINC000895008321 583569614 /nfs/dbraw/zinc/56/96/14/583569614.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)[nH]1 ZINC000895008321 583569615 /nfs/dbraw/zinc/56/96/15/583569615.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000895008321 583569618 /nfs/dbraw/zinc/56/96/18/583569618.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000895008321 583569619 /nfs/dbraw/zinc/56/96/19/583569619.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n[nH]1 ZINC000895008321 583569620 /nfs/dbraw/zinc/56/96/20/583569620.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)n[nH]1 ZINC000895008321 583569622 /nfs/dbraw/zinc/56/96/22/583569622.db2.gz VVBARZBSYFFBQJ-SNVBAGLBSA-N 1 2 246.318 0.836 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000895046595 583571140 /nfs/dbraw/zinc/57/11/40/583571140.db2.gz OSOPAIDLNNHXEO-UHFFFAOYSA-N 1 2 240.307 0.643 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC(C)(F)F)c1 ZINC000895049046 583573174 /nfs/dbraw/zinc/57/31/74/583573174.db2.gz OXJBHSXZFIDJLP-UHFFFAOYSA-N 1 2 232.234 0.875 20 0 BCADLO Cc1nc(N2CCn3nc(N)cc3C2)cc[nH+]1 ZINC000895124563 583597221 /nfs/dbraw/zinc/59/72/21/583597221.db2.gz GRJOCLYMDFNHIB-UHFFFAOYSA-N 1 2 230.275 0.584 20 0 BCADLO CNc1cc(N2C[C@@H]3C[C@]3(O)C2)nc[nH+]1 ZINC000895157173 583607808 /nfs/dbraw/zinc/60/78/08/583607808.db2.gz QADLRERWOUOHGC-XVKPBYJWSA-N 1 2 206.249 0.089 20 0 BCADLO CNc1cc(N2C[C@@H]3C[C@]3(O)C2)[nH+]cn1 ZINC000895157173 583607809 /nfs/dbraw/zinc/60/78/09/583607809.db2.gz QADLRERWOUOHGC-XVKPBYJWSA-N 1 2 206.249 0.089 20 0 BCADLO C[C@H]([NH2+]Cc1ccns1)C1N=NC(=O)N1C ZINC000895172815 583613095 /nfs/dbraw/zinc/61/30/95/583613095.db2.gz SFVZEGLTUFGUHV-LURJTMIESA-N 1 2 239.304 0.828 20 0 BCADLO C=Cn1cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cn1 ZINC000895174026 583613670 /nfs/dbraw/zinc/61/36/70/583613670.db2.gz FIUAXLOEAKZNBF-MRVPVSSYSA-N 1 2 248.290 0.669 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000882392214 583614833 /nfs/dbraw/zinc/61/48/33/583614833.db2.gz JTLSFEONCUQXSF-SNVBAGLBSA-N 1 2 241.316 0.521 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000895200531 583624105 /nfs/dbraw/zinc/62/41/05/583624105.db2.gz RIYZDBUNQYNJBN-OYBPUVFXSA-N 1 2 238.287 0.431 20 0 BCADLO Cn1ccnc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000857773014 588910970 /nfs/dbraw/zinc/91/09/70/588910970.db2.gz FTKSNLPNRIXCLP-MRVPVSSYSA-N 1 2 231.259 0.491 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000727399857 583640346 /nfs/dbraw/zinc/64/03/46/583640346.db2.gz LKBJMPHOMCUVSF-VIFPVBQESA-N 1 2 249.270 0.950 20 0 BCADLO CCCn1cc(C[NH2+]C[C@H]2CC(C)=NO2)nn1 ZINC000895299098 583641000 /nfs/dbraw/zinc/64/10/00/583641000.db2.gz ALJHIPZOGPKFQQ-LLVKDONJSA-N 1 2 237.307 0.943 20 0 BCADLO CC1=NO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000895303741 583645668 /nfs/dbraw/zinc/64/56/68/583645668.db2.gz CFUNHVDCDXVXPE-SECBINFHSA-N 1 2 209.253 0.070 20 0 BCADLO Cn1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1 ZINC000895315420 583648185 /nfs/dbraw/zinc/64/81/85/583648185.db2.gz GTBMVXHLMAIOAV-SECBINFHSA-N 1 2 222.292 0.034 20 0 BCADLO CCn1ccnc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895315968 583648436 /nfs/dbraw/zinc/64/84/36/583648436.db2.gz LANLKDNSVSQGRQ-SNVBAGLBSA-N 1 2 236.319 0.517 20 0 BCADLO Cc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)nn1C ZINC000895319537 583649546 /nfs/dbraw/zinc/64/95/46/583649546.db2.gz CZQRCKYFVSBSKR-JTQLQIEISA-N 1 2 236.319 0.343 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cocn1 ZINC000895323069 583650208 /nfs/dbraw/zinc/65/02/08/583650208.db2.gz JCCJRVBHUHXALH-QMMMGPOBSA-N 1 2 209.249 0.289 20 0 BCADLO Cc1[nH]c(CN2C[C@H](O)C[C@@]2(C)CO)[nH+]c1C ZINC000895326617 583651753 /nfs/dbraw/zinc/65/17/53/583651753.db2.gz YSLNHKWVNMMICV-PWSUYJOCSA-N 1 2 239.319 0.344 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc2onc(C)c2c1 ZINC000895349958 583656154 /nfs/dbraw/zinc/65/61/54/583656154.db2.gz BFBJLIXQCSKBCC-UHFFFAOYSA-N 1 2 248.286 0.709 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc2onc(C)c2c1 ZINC000895349958 583656156 /nfs/dbraw/zinc/65/61/56/583656156.db2.gz BFBJLIXQCSKBCC-UHFFFAOYSA-N 1 2 248.286 0.709 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1Cc2ccncc2C1 ZINC000857879715 588919520 /nfs/dbraw/zinc/91/95/20/588919520.db2.gz OKVPMAHOXLJJMA-GFCCVEGCSA-N 1 2 220.272 0.737 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1Cc2ccncc2C1 ZINC000857879715 588919521 /nfs/dbraw/zinc/91/95/21/588919521.db2.gz OKVPMAHOXLJJMA-GFCCVEGCSA-N 1 2 220.272 0.737 20 0 BCADLO C[N@H+](CCC[C@@H]1CCO1)C1CS(=O)(=O)C1 ZINC000895399283 583666174 /nfs/dbraw/zinc/66/61/74/583666174.db2.gz NEGDJDVNKPLKGN-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](CCC[C@@H]1CCO1)C1CS(=O)(=O)C1 ZINC000895399283 583666175 /nfs/dbraw/zinc/66/61/75/583666175.db2.gz NEGDJDVNKPLKGN-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO CCn1cc[nH+]c1CN(C)C1CS(=O)(=O)C1 ZINC000895400998 583666695 /nfs/dbraw/zinc/66/66/95/583666695.db2.gz QIHDXDCMDYMNFI-UHFFFAOYSA-N 1 2 243.332 0.132 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000895433007 583671302 /nfs/dbraw/zinc/67/13/02/583671302.db2.gz IGBJHSFMZKTLGY-NSHDSACASA-N 1 2 248.330 0.832 20 0 BCADLO Cc1ccnn1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885111 588920539 /nfs/dbraw/zinc/92/05/39/588920539.db2.gz ORIWXWRWILSJJP-SNVBAGLBSA-N 1 2 245.286 0.129 20 0 BCADLO COC/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885778 588920798 /nfs/dbraw/zinc/92/07/98/588920798.db2.gz OUNYGYNKOGRDHI-HPOULIHZSA-N 1 2 221.260 0.127 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884816 588920820 /nfs/dbraw/zinc/92/08/20/588920820.db2.gz GCJFDPPWFBHBPO-SCZZXKLOSA-N 1 2 234.259 0.089 20 0 BCADLO O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884634 588920917 /nfs/dbraw/zinc/92/09/17/588920917.db2.gz DSSIDQOMVKTILL-COUIAZAYSA-N 1 2 247.298 0.517 20 0 BCADLO C[NH+](C)CCNC(=O)c1cncc2nc[nH]c21 ZINC000895468982 583678909 /nfs/dbraw/zinc/67/89/09/583678909.db2.gz APSJNABGJOLXOQ-UHFFFAOYSA-N 1 2 233.275 0.249 20 0 BCADLO C[C@H]([NH2+][C@H]1C[C@H](O)C1)C(=O)OC(C)(C)C ZINC000895475109 583679640 /nfs/dbraw/zinc/67/96/40/583679640.db2.gz SJPHLHYYEVGJNP-CIUDSAMLSA-N 1 2 215.293 0.830 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(F)c(C)c1 ZINC000895473788 583679559 /nfs/dbraw/zinc/67/95/59/583679559.db2.gz QGLHPVBLGZZLGU-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(F)c(C)c1 ZINC000895473788 583679560 /nfs/dbraw/zinc/67/95/60/583679560.db2.gz QGLHPVBLGZZLGU-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO O=c1cc(C[N@@H+]2CCc3n[nH]nc3C2)cc[nH]1 ZINC000895474798 583679656 /nfs/dbraw/zinc/67/96/56/583679656.db2.gz ZOIYOLWTLQPGEI-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO O=c1cc(C[N@H+]2CCc3n[nH]nc3C2)cc[nH]1 ZINC000895474798 583679657 /nfs/dbraw/zinc/67/96/57/583679657.db2.gz ZOIYOLWTLQPGEI-UHFFFAOYSA-N 1 2 231.259 0.464 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=CCCCO1 ZINC000857889179 588921250 /nfs/dbraw/zinc/92/12/50/588921250.db2.gz ILXHCNVMGZEXRJ-SECBINFHSA-N 1 2 233.271 0.618 20 0 BCADLO CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)COC1 ZINC000857889863 588921313 /nfs/dbraw/zinc/92/13/13/588921313.db2.gz NXJPTFXADFVNEJ-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO Cn1cc(C[NH2+]Cc2cnn[nH]2)c(C2CC2)n1 ZINC000895533211 583685458 /nfs/dbraw/zinc/68/54/58/583685458.db2.gz RENZOPQCUYYIHD-UHFFFAOYSA-N 1 2 232.291 0.705 20 0 BCADLO CCn1ncc(C[NH2+][C@@H](C)COC(C)=O)n1 ZINC000895559573 583691314 /nfs/dbraw/zinc/69/13/14/583691314.db2.gz CAHUOCOIBGSYJG-QMMMGPOBSA-N 1 2 226.280 0.339 20 0 BCADLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cn[nH]c3C)C[C@@H]2C1 ZINC000895575464 583692798 /nfs/dbraw/zinc/69/27/98/583692798.db2.gz FKYHWCSHSLYGJT-BETUJISGSA-N 1 2 248.330 0.628 20 0 BCADLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cn[nH]c3C)C[C@@H]2C1 ZINC000895575464 583692799 /nfs/dbraw/zinc/69/27/99/583692799.db2.gz FKYHWCSHSLYGJT-BETUJISGSA-N 1 2 248.330 0.628 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@H](O)C1 ZINC000895607741 583695594 /nfs/dbraw/zinc/69/55/94/583695594.db2.gz ARMCDVGEXCCDJZ-AOOOYVTPSA-N 1 2 235.287 0.381 20 0 BCADLO C[N@@H+]1CCOC[C@@]1(CO)CNc1nccs1 ZINC000895609623 583695924 /nfs/dbraw/zinc/69/59/24/583695924.db2.gz FQMXLRDCXKFOQE-JTQLQIEISA-N 1 2 243.332 0.248 20 0 BCADLO C[N@H+]1CCOC[C@@]1(CO)CNc1nccs1 ZINC000895609623 583695926 /nfs/dbraw/zinc/69/59/26/583695926.db2.gz FQMXLRDCXKFOQE-JTQLQIEISA-N 1 2 243.332 0.248 20 0 BCADLO CCC[C@@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619446 583697322 /nfs/dbraw/zinc/69/73/22/583697322.db2.gz XENITVNBLXJHAX-SNVBAGLBSA-N 1 2 238.335 0.755 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895653865 583700916 /nfs/dbraw/zinc/70/09/16/583700916.db2.gz OFJSQGFHSBKDCO-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895653865 583700919 /nfs/dbraw/zinc/70/09/19/583700919.db2.gz OFJSQGFHSBKDCO-XVKPBYJWSA-N 1 2 227.695 0.640 20 0 BCADLO Cc1nnc(CNCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000895673846 583704260 /nfs/dbraw/zinc/70/42/60/583704260.db2.gz SPMYMRUWHTUNOC-VIFPVBQESA-N 1 2 242.348 0.003 20 0 BCADLO Cc1nnc(CNCC[N@H+]2CC[C@H](O)C2)s1 ZINC000895673846 583704261 /nfs/dbraw/zinc/70/42/61/583704261.db2.gz SPMYMRUWHTUNOC-VIFPVBQESA-N 1 2 242.348 0.003 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CSC[C@@H]1C)[C@@H](C)O ZINC000895743640 583715688 /nfs/dbraw/zinc/71/56/88/583715688.db2.gz JCXXMOLJCCRYQN-KZVJFYERSA-N 1 2 233.333 0.250 20 0 BCADLO CO[C@H](C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895745355 583716248 /nfs/dbraw/zinc/71/62/48/583716248.db2.gz CKCDPEYQOGCMHS-MRVPVSSYSA-N 1 2 226.280 0.254 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000895746207 583716482 /nfs/dbraw/zinc/71/64/82/583716482.db2.gz IHCKAPVLRSSIQX-LURJTMIESA-N 1 2 224.268 0.011 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000895746207 583716483 /nfs/dbraw/zinc/71/64/83/583716483.db2.gz IHCKAPVLRSSIQX-LURJTMIESA-N 1 2 224.268 0.011 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000895764722 583722479 /nfs/dbraw/zinc/72/24/79/583722479.db2.gz HYMQLIIEGVULFW-ZETCQYMHSA-N 1 2 210.237 0.411 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000895764722 583722480 /nfs/dbraw/zinc/72/24/80/583722480.db2.gz HYMQLIIEGVULFW-ZETCQYMHSA-N 1 2 210.237 0.411 20 0 BCADLO CC(C)n1c[nH+]cc1CN[C@H]1CCOC1=O ZINC000895808984 583729655 /nfs/dbraw/zinc/72/96/55/583729655.db2.gz PKMGQFYCYMGXMM-JTQLQIEISA-N 1 2 223.276 0.869 20 0 BCADLO O=C1OCC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000895808981 583729702 /nfs/dbraw/zinc/72/97/02/583729702.db2.gz PGPZLCWSLCPACN-QMMMGPOBSA-N 1 2 219.231 0.979 20 0 BCADLO CS[C@H]1CC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000895809208 583729740 /nfs/dbraw/zinc/72/97/40/583729740.db2.gz QVJPMAKDMDDRRM-FXQIFTODSA-N 1 2 201.291 0.786 20 0 BCADLO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCOC1=O ZINC000895807981 583732832 /nfs/dbraw/zinc/73/28/32/583732832.db2.gz XYUVPBLBMAKHML-VIFPVBQESA-N 1 2 243.303 0.871 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000895849302 583736471 /nfs/dbraw/zinc/73/64/71/583736471.db2.gz XHDYQPVNRRCHFK-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000895849302 583736472 /nfs/dbraw/zinc/73/64/72/583736472.db2.gz XHDYQPVNRRCHFK-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984338 588925870 /nfs/dbraw/zinc/92/58/70/588925870.db2.gz BNWYCYRIVMJJHR-WCABBAIRSA-N 1 2 235.287 0.869 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cncnc1 ZINC000895920719 583746620 /nfs/dbraw/zinc/74/66/20/583746620.db2.gz LSVILNCVYVZUJV-OUAUKWLOSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cncnc1 ZINC000895920719 583746622 /nfs/dbraw/zinc/74/66/22/583746622.db2.gz LSVILNCVYVZUJV-OUAUKWLOSA-N 1 2 248.330 0.916 20 0 BCADLO CCc1cc(N2CCOCN2)[nH+]c(CC)n1 ZINC000895925615 583747682 /nfs/dbraw/zinc/74/76/82/583747682.db2.gz GNTRJTFOALAZTH-UHFFFAOYSA-N 1 2 222.292 0.900 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1ccon1 ZINC000335810948 583747702 /nfs/dbraw/zinc/74/77/02/583747702.db2.gz LYIWRHVLGWEONM-UHFFFAOYSA-N 1 2 221.220 0.152 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nc(C)ccc2O)CCO1 ZINC000895968644 583755142 /nfs/dbraw/zinc/75/51/42/583755142.db2.gz PWHDSKGNZVYSBR-GFCCVEGCSA-N 1 2 238.287 0.900 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nc(C)ccc2O)CCO1 ZINC000895968644 583755143 /nfs/dbraw/zinc/75/51/43/583755143.db2.gz PWHDSKGNZVYSBR-GFCCVEGCSA-N 1 2 238.287 0.900 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000895969200 583755220 /nfs/dbraw/zinc/75/52/20/583755220.db2.gz ZFLIGPHTPWWQEY-MNOVXSKESA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000895969200 583755221 /nfs/dbraw/zinc/75/52/21/583755221.db2.gz ZFLIGPHTPWWQEY-MNOVXSKESA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000895969199 583755266 /nfs/dbraw/zinc/75/52/66/583755266.db2.gz ZFLIGPHTPWWQEY-GHMZBOCLSA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000895969199 583755269 /nfs/dbraw/zinc/75/52/69/583755269.db2.gz ZFLIGPHTPWWQEY-GHMZBOCLSA-N 1 2 213.277 0.984 20 0 BCADLO CO[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000895968362 583755472 /nfs/dbraw/zinc/75/54/72/583755472.db2.gz MFIZFLGYMGIARE-NSHDSACASA-N 1 2 213.277 0.638 20 0 BCADLO CO[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000895968362 583755473 /nfs/dbraw/zinc/75/54/73/583755473.db2.gz MFIZFLGYMGIARE-NSHDSACASA-N 1 2 213.277 0.638 20 0 BCADLO CCn1ncc(C[NH+]2CC(COC)C2)n1 ZINC000895969522 583755489 /nfs/dbraw/zinc/75/54/89/583755489.db2.gz FSYIGFLSUQMNAH-UHFFFAOYSA-N 1 2 210.281 0.376 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000895969264 583755491 /nfs/dbraw/zinc/75/54/91/583755491.db2.gz JSPVTHCIHJQZHT-NSHDSACASA-N 1 2 210.277 0.830 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000895969264 583755492 /nfs/dbraw/zinc/75/54/92/583755492.db2.gz JSPVTHCIHJQZHT-NSHDSACASA-N 1 2 210.277 0.830 20 0 BCADLO COCC1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000895975257 583756638 /nfs/dbraw/zinc/75/66/38/583756638.db2.gz SNZUSSXIMJYIFX-UHFFFAOYSA-N 1 2 221.304 0.908 20 0 BCADLO COCC1C[NH+](Cc2nnc(C)s2)C1 ZINC000895975300 583756920 /nfs/dbraw/zinc/75/69/20/583756920.db2.gz VDTGHLKSCUEGTJ-UHFFFAOYSA-N 1 2 213.306 0.925 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)on1 ZINC000895984427 583759169 /nfs/dbraw/zinc/75/91/69/583759169.db2.gz CATNWZMMOOBLST-VIFPVBQESA-N 1 2 244.316 0.648 20 0 BCADLO Cc1nnccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980758 588927284 /nfs/dbraw/zinc/92/72/84/588927284.db2.gz PKGQDIHZFABJMB-SNVBAGLBSA-N 1 2 243.270 0.856 20 0 BCADLO C[C@](O)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857978890 588927600 /nfs/dbraw/zinc/92/76/00/588927600.db2.gz RNYAYHPJUVUQDG-GXFFZTMASA-N 1 2 249.314 0.995 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ncccc1O ZINC000857980907 588927683 /nfs/dbraw/zinc/92/76/83/588927683.db2.gz SIMOPNZOUZWGOZ-MRVPVSSYSA-N 1 2 244.254 0.859 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCOC1 ZINC000857981689 588928025 /nfs/dbraw/zinc/92/80/25/588928025.db2.gz IOTCMYSWZZPLLW-BXKDBHETSA-N 1 2 235.287 0.871 20 0 BCADLO CCn1ccnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982468 588928093 /nfs/dbraw/zinc/92/80/93/588928093.db2.gz PEKVTEZDWYOSJS-SECBINFHSA-N 1 2 245.286 0.974 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c[nH]c(=S)[nH]1 ZINC000857981483 588928155 /nfs/dbraw/zinc/92/81/55/588928155.db2.gz FOVDLAIIXGMPQS-ZCFIWIBFSA-N 1 2 249.299 0.770 20 0 BCADLO CCc1cc(NCC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000896135387 583775375 /nfs/dbraw/zinc/77/53/75/583775375.db2.gz QFXITYURWDXBAE-SECBINFHSA-N 1 2 234.303 0.977 20 0 BCADLO CCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)COC1 ZINC000857983400 588928627 /nfs/dbraw/zinc/92/86/27/588928627.db2.gz QWPBMQGPQXPSLH-VIFPVBQESA-N 1 2 235.287 0.871 20 0 BCADLO CCc1cc(NCC(=O)NOC)cc[nH+]1 ZINC000896193732 583782242 /nfs/dbraw/zinc/78/22/42/583782242.db2.gz GAIYKRBWRXPJBJ-UHFFFAOYSA-N 1 2 209.249 0.155 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896218273 583783915 /nfs/dbraw/zinc/78/39/15/583783915.db2.gz KLEFTSQMCDXEAM-XXFAHNHDSA-N 1 2 246.376 0.354 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896218273 583783917 /nfs/dbraw/zinc/78/39/17/583783917.db2.gz KLEFTSQMCDXEAM-XXFAHNHDSA-N 1 2 246.376 0.354 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n(C)n1 ZINC000857987211 588929230 /nfs/dbraw/zinc/92/92/30/588929230.db2.gz WFESFWQSYGBTNA-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987315 588929443 /nfs/dbraw/zinc/92/94/43/588929443.db2.gz UBAHBQUQBJXMIC-MRVPVSSYSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc[nH]c1=O ZINC000857988277 588929507 /nfs/dbraw/zinc/92/95/07/588929507.db2.gz HNYKBKPBGXJIMH-VIFPVBQESA-N 1 2 244.254 0.859 20 0 BCADLO Cc1nc(N2C3CCC2(C(N)=O)CC3)cc[nH+]1 ZINC000896387353 583798799 /nfs/dbraw/zinc/79/87/99/583798799.db2.gz CNRUYTUKGPIJOX-UHFFFAOYSA-N 1 2 232.287 0.772 20 0 BCADLO CCOCCOCCNc1cc(NC)nc[nH+]1 ZINC000896481110 583805625 /nfs/dbraw/zinc/80/56/25/583805625.db2.gz KGSDKNCCCCFUEO-UHFFFAOYSA-N 1 2 240.307 0.983 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896549265 583810122 /nfs/dbraw/zinc/81/01/22/583810122.db2.gz QXIJQNTYFYSVQJ-MRVPVSSYSA-N 1 2 235.247 0.463 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(-c3cn[nH]c3)no2)C1 ZINC000896549265 583810123 /nfs/dbraw/zinc/81/01/23/583810123.db2.gz QXIJQNTYFYSVQJ-MRVPVSSYSA-N 1 2 235.247 0.463 20 0 BCADLO C[C@H](NC(=O)C1CCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582654 583814864 /nfs/dbraw/zinc/81/48/64/583814864.db2.gz XJKJSRHPHCFTIF-JQWIXIFHSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1CCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582654 583814865 /nfs/dbraw/zinc/81/48/65/583814865.db2.gz XJKJSRHPHCFTIF-JQWIXIFHSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896582467 583816313 /nfs/dbraw/zinc/81/63/13/583816313.db2.gz WYKMYBFBFBODJE-WYUUTHIRSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896582467 583816315 /nfs/dbraw/zinc/81/63/15/583816315.db2.gz WYKMYBFBFBODJE-WYUUTHIRSA-N 1 2 239.363 0.393 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H](O)C2)[nH+]c1C ZINC000896906415 583851266 /nfs/dbraw/zinc/85/12/66/583851266.db2.gz BZLMGHKQFRWRRD-DTORHVGOSA-N 1 2 223.276 0.414 20 0 BCADLO COC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000728282650 583855050 /nfs/dbraw/zinc/85/50/50/583855050.db2.gz PBUAAPGKPQVXQJ-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO COC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000728282650 583855051 /nfs/dbraw/zinc/85/50/51/583855051.db2.gz PBUAAPGKPQVXQJ-UHFFFAOYSA-N 1 2 216.281 0.453 20 0 BCADLO Cc1[nH]c(CNC(=O)C2(O)CCCC2)[nH+]c1C ZINC000896922378 583857006 /nfs/dbraw/zinc/85/70/06/583857006.db2.gz OCTCUZBZSRWKAC-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO CONC(=O)C[NH2+]CC1(C)CCCC1 ZINC000896924556 583857610 /nfs/dbraw/zinc/85/76/10/583857610.db2.gz NHKIVSHMTBJRJA-UHFFFAOYSA-N 1 2 200.282 0.834 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000896924433 583857631 /nfs/dbraw/zinc/85/76/31/583857631.db2.gz MNHKFBPJDPQACN-JTQLQIEISA-N 1 2 237.303 0.670 20 0 BCADLO CC[C@@H]([NH2+]CC(=O)NOC)C1CCC1 ZINC000896924904 583857773 /nfs/dbraw/zinc/85/77/73/583857773.db2.gz QLLJPSJWLPKZIA-SECBINFHSA-N 1 2 200.282 0.832 20 0 BCADLO CC[C@H]([NH2+]CC(=O)NOC)C1CCC1 ZINC000896924905 583857810 /nfs/dbraw/zinc/85/78/10/583857810.db2.gz QLLJPSJWLPKZIA-VIFPVBQESA-N 1 2 200.282 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)C1CCSCC1 ZINC000896925817 583858127 /nfs/dbraw/zinc/85/81/27/583858127.db2.gz ANNQBSNVLZRXLE-MRVPVSSYSA-N 1 2 232.349 0.785 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000896924111 583858521 /nfs/dbraw/zinc/85/85/21/583858521.db2.gz KKBDYNZFSQAMFH-LURJTMIESA-N 1 2 222.235 0.687 20 0 BCADLO CONC(=O)C[NH2+]CCC(C)(C)SC ZINC000896928193 583859556 /nfs/dbraw/zinc/85/95/56/583859556.db2.gz XSDRMMRKKKJOIT-UHFFFAOYSA-N 1 2 220.338 0.785 20 0 BCADLO CC[C@@H](C[N@H+](C)CCS(=O)(=O)CC)OC ZINC000842153482 583861209 /nfs/dbraw/zinc/86/12/09/583861209.db2.gz NQLUEDGWNWPIFP-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO CC[C@@H](C[N@@H+](C)CCS(=O)(=O)CC)OC ZINC000842153482 583861210 /nfs/dbraw/zinc/86/12/10/583861210.db2.gz NQLUEDGWNWPIFP-JTQLQIEISA-N 1 2 237.365 0.778 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCO)c[nH+]1 ZINC000896998264 583868704 /nfs/dbraw/zinc/86/87/04/583868704.db2.gz AZAAJZXLTRXDBN-VIFPVBQESA-N 1 2 239.319 0.814 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC23CC(O)C3)[nH+]cn1 ZINC000897086937 583878402 /nfs/dbraw/zinc/87/84/02/583878402.db2.gz HXIYIXIHDPZAKZ-NBBOBHDQSA-N 1 2 234.303 0.868 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC23CC(O)C3)nc[nH+]1 ZINC000897086937 583878403 /nfs/dbraw/zinc/87/84/03/583878403.db2.gz HXIYIXIHDPZAKZ-NBBOBHDQSA-N 1 2 234.303 0.868 20 0 BCADLO Cc1ccnn1CC(=O)NCCCn1cc[nH+]c1 ZINC000858101205 588933333 /nfs/dbraw/zinc/93/33/33/588933333.db2.gz DFYXJPQYTNJXAB-UHFFFAOYSA-N 1 2 247.302 0.595 20 0 BCADLO Cn1nnnc1CCCNc1cc[nH+]cc1F ZINC000897251652 583903374 /nfs/dbraw/zinc/90/33/74/583903374.db2.gz XZWPPKRZVURTQL-UHFFFAOYSA-N 1 2 236.254 0.211 20 0 BCADLO CON(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000858260191 588941231 /nfs/dbraw/zinc/94/12/31/588941231.db2.gz DGTKFHLGISSMBU-SECBINFHSA-N 1 2 223.276 0.774 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)O)c[nH+]1 ZINC000897309118 583914097 /nfs/dbraw/zinc/91/40/97/583914097.db2.gz VQOODGQWFKODNL-JTQLQIEISA-N 1 2 239.319 0.766 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](CC(=O)NC(C)C)C1 ZINC000752090976 583945018 /nfs/dbraw/zinc/94/50/18/583945018.db2.gz XEUHALBIELWPAS-NSHDSACASA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000752090976 583945020 /nfs/dbraw/zinc/94/50/20/583945020.db2.gz XEUHALBIELWPAS-NSHDSACASA-N 1 2 246.282 0.098 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@@H](F)C1 ZINC000897378141 583946919 /nfs/dbraw/zinc/94/69/19/583946919.db2.gz BOJLQWIZGHPAMQ-DTWKUNHWSA-N 1 2 226.251 0.999 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nccs1 ZINC000858320602 588945036 /nfs/dbraw/zinc/94/50/36/588945036.db2.gz XZLNQBKQCBKSFD-ZETCQYMHSA-N 1 2 229.305 0.641 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000858320251 588945147 /nfs/dbraw/zinc/94/51/47/588945147.db2.gz ZVLMXKHOUYOMLW-QMMMGPOBSA-N 1 2 243.332 0.949 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=S)NC1CC1 ZINC000729160823 583961701 /nfs/dbraw/zinc/96/17/01/583961701.db2.gz GCBMZUXNURKWSH-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=S)NC1CC1 ZINC000729160823 583961703 /nfs/dbraw/zinc/96/17/03/583961703.db2.gz GCBMZUXNURKWSH-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000862969750 583973730 /nfs/dbraw/zinc/97/37/30/583973730.db2.gz ISQAYGARRCQBFX-WDEREUQCSA-N 1 2 240.303 0.126 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000862969750 583973733 /nfs/dbraw/zinc/97/37/33/583973733.db2.gz ISQAYGARRCQBFX-WDEREUQCSA-N 1 2 240.303 0.126 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cn(C)cn1 ZINC000858219848 588939513 /nfs/dbraw/zinc/93/95/13/588939513.db2.gz CFVAUNVOXHKEPL-UHFFFAOYSA-N 1 2 240.307 0.310 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1ncc[nH]1 ZINC000858219736 588939638 /nfs/dbraw/zinc/93/96/38/588939638.db2.gz YRSHHQYZCXCLJR-UHFFFAOYSA-N 1 2 226.280 0.299 20 0 BCADLO CC(C)=CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729384831 583996791 /nfs/dbraw/zinc/99/67/91/583996791.db2.gz DCAZGZFGFCBVCT-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729384831 583996794 /nfs/dbraw/zinc/99/67/94/583996794.db2.gz DCAZGZFGFCBVCT-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO COC[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864442107 584004683 /nfs/dbraw/zinc/00/46/83/584004683.db2.gz HMPXIRSXUHARMU-PGLGOXFNSA-N 1 2 242.319 0.026 20 0 BCADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(N)=O)o1 ZINC000729481542 584015356 /nfs/dbraw/zinc/01/53/56/584015356.db2.gz CZBWJAFUONXJSX-SSDOTTSWSA-N 1 2 240.259 0.372 20 0 BCADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(N)=O)o1 ZINC000729481542 584015357 /nfs/dbraw/zinc/01/53/57/584015357.db2.gz CZBWJAFUONXJSX-SSDOTTSWSA-N 1 2 240.259 0.372 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1nccnc1F ZINC000858386529 588949989 /nfs/dbraw/zinc/94/99/89/588949989.db2.gz NFIDTVUKVBJFBQ-UHFFFAOYSA-N 1 2 240.282 0.384 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920214 584029725 /nfs/dbraw/zinc/02/97/25/584029725.db2.gz LDCGOSBDGAQRIZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920214 584029727 /nfs/dbraw/zinc/02/97/27/584029727.db2.gz LDCGOSBDGAQRIZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729920214 584029730 /nfs/dbraw/zinc/02/97/30/584029730.db2.gz LDCGOSBDGAQRIZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729920214 584029733 /nfs/dbraw/zinc/02/97/33/584029733.db2.gz LDCGOSBDGAQRIZ-QWRGUYRKSA-N 1 2 235.287 0.836 20 0 BCADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCF)[nH]n1 ZINC000897639909 584034831 /nfs/dbraw/zinc/03/48/31/584034831.db2.gz JTOYDWYDJVQXLU-JTQLQIEISA-N 1 2 240.282 0.876 20 0 BCADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCF)[nH]n1 ZINC000897639909 584034834 /nfs/dbraw/zinc/03/48/34/584034834.db2.gz JTOYDWYDJVQXLU-JTQLQIEISA-N 1 2 240.282 0.876 20 0 BCADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCF)n[nH]1 ZINC000897639909 584034838 /nfs/dbraw/zinc/03/48/38/584034838.db2.gz JTOYDWYDJVQXLU-JTQLQIEISA-N 1 2 240.282 0.876 20 0 BCADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCF)n[nH]1 ZINC000897639909 584034840 /nfs/dbraw/zinc/03/48/40/584034840.db2.gz JTOYDWYDJVQXLU-JTQLQIEISA-N 1 2 240.282 0.876 20 0 BCADLO C[C@@]1([NH2+]Cc2nccn2C2CC2)CCNC1=O ZINC000897866606 584055537 /nfs/dbraw/zinc/05/55/37/584055537.db2.gz DNPGWLITTFVPBW-GFCCVEGCSA-N 1 2 234.303 0.586 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@]2(C)CCNC2=O)n1 ZINC000897870074 584056252 /nfs/dbraw/zinc/05/62/52/584056252.db2.gz XEPAQRZFDTXXQI-JTQLQIEISA-N 1 2 208.265 0.086 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000897897377 584058500 /nfs/dbraw/zinc/05/85/00/584058500.db2.gz SMHRIKURJRVTSQ-JTQLQIEISA-N 1 2 245.286 0.991 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000897897377 584058502 /nfs/dbraw/zinc/05/85/02/584058502.db2.gz SMHRIKURJRVTSQ-JTQLQIEISA-N 1 2 245.286 0.991 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000897897378 584058713 /nfs/dbraw/zinc/05/87/13/584058713.db2.gz SMHRIKURJRVTSQ-SNVBAGLBSA-N 1 2 245.286 0.991 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000897897378 584058714 /nfs/dbraw/zinc/05/87/14/584058714.db2.gz SMHRIKURJRVTSQ-SNVBAGLBSA-N 1 2 245.286 0.991 20 0 BCADLO Cc1ccccc1C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897907811 584059549 /nfs/dbraw/zinc/05/95/49/584059549.db2.gz NBVBHVPGBNLAHX-UHFFFAOYSA-N 1 2 245.282 0.389 20 0 BCADLO CC(C)n1[nH]cnc1=NC(=O)[C@H]1CCC[N@@H+]1C ZINC000897985366 584072110 /nfs/dbraw/zinc/07/21/10/584072110.db2.gz KEUUTQNYSDOPBA-SECBINFHSA-N 1 2 237.307 0.314 20 0 BCADLO CC(C)n1[nH]cnc1=NC(=O)[C@H]1CCC[N@H+]1C ZINC000897985366 584072113 /nfs/dbraw/zinc/07/21/13/584072113.db2.gz KEUUTQNYSDOPBA-SECBINFHSA-N 1 2 237.307 0.314 20 0 BCADLO COc1nccnc1CNCc1cn(C)c[nH+]1 ZINC000898043212 584080835 /nfs/dbraw/zinc/08/08/35/584080835.db2.gz IGHQCQDCFXCQPP-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1C ZINC000898182469 584093062 /nfs/dbraw/zinc/09/30/62/584093062.db2.gz CTUSHAVKWHLGIF-MWLCHTKSSA-N 1 2 227.283 0.931 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1C ZINC000898182469 584093063 /nfs/dbraw/zinc/09/30/63/584093063.db2.gz CTUSHAVKWHLGIF-MWLCHTKSSA-N 1 2 227.283 0.931 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](O)[C@H](F)C2)[nH+]1 ZINC000898188156 584094242 /nfs/dbraw/zinc/09/42/42/584094242.db2.gz KQLTUKKJZZOGSH-BDAKNGLRSA-N 1 2 213.256 0.623 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187456 584094251 /nfs/dbraw/zinc/09/42/51/584094251.db2.gz JUQQPWPQFBYYSH-ZYHUDNBSSA-N 1 2 241.310 0.887 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187456 584094252 /nfs/dbraw/zinc/09/42/52/584094252.db2.gz JUQQPWPQFBYYSH-ZYHUDNBSSA-N 1 2 241.310 0.887 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187455 584094475 /nfs/dbraw/zinc/09/44/75/584094475.db2.gz JUQQPWPQFBYYSH-PWSUYJOCSA-N 1 2 241.310 0.887 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187455 584094476 /nfs/dbraw/zinc/09/44/76/584094476.db2.gz JUQQPWPQFBYYSH-PWSUYJOCSA-N 1 2 241.310 0.887 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cnn3c2CCC3)C[C@H]1F ZINC000898188748 584095217 /nfs/dbraw/zinc/09/52/17/584095217.db2.gz ORRCTFCSRWFYRJ-PWSUYJOCSA-N 1 2 239.294 0.734 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cnn3c2CCC3)C[C@H]1F ZINC000898188748 584095219 /nfs/dbraw/zinc/09/52/19/584095219.db2.gz ORRCTFCSRWFYRJ-PWSUYJOCSA-N 1 2 239.294 0.734 20 0 BCADLO Cc1nnc(CNC(=O)CNc2cccc[nH+]2)[nH]1 ZINC000889699975 584121373 /nfs/dbraw/zinc/12/13/73/584121373.db2.gz PSDGSIVTZRCXRH-UHFFFAOYSA-N 1 2 246.274 0.236 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](CO)CC1CC1 ZINC000673056620 584128070 /nfs/dbraw/zinc/12/80/70/584128070.db2.gz PYSMQPOQMNEPIL-JTQLQIEISA-N 1 2 237.303 0.620 20 0 BCADLO CCOCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485304 584139466 /nfs/dbraw/zinc/13/94/66/584139466.db2.gz FYIQZQXAMYLNDD-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO CCOCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485304 584139467 /nfs/dbraw/zinc/13/94/67/584139467.db2.gz FYIQZQXAMYLNDD-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO O=C1C[C@]2([NH2+]Cc3ccn[nH]3)CCCC[C@@H]2N1 ZINC000898466561 584139506 /nfs/dbraw/zinc/13/95/06/584139506.db2.gz BSKGYMRBJRISKI-CMPLNLGQSA-N 1 2 234.303 0.701 20 0 BCADLO CCn1cc(C[N@H+](C)CC2(CO)CC2)nn1 ZINC000898520309 584140858 /nfs/dbraw/zinc/14/08/58/584140858.db2.gz VTJXYJZDZADPSS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1cc(C[N@@H+](C)CC2(CO)CC2)nn1 ZINC000898520309 584140860 /nfs/dbraw/zinc/14/08/60/584140860.db2.gz VTJXYJZDZADPSS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cncnc1 ZINC000898558461 584141853 /nfs/dbraw/zinc/14/18/53/584141853.db2.gz PXEYIKBMSXWRBN-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cncnc1 ZINC000898558461 584141854 /nfs/dbraw/zinc/14/18/54/584141854.db2.gz PXEYIKBMSXWRBN-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CC[C@H]1C(=O)NCCCN1Cc1[nH]cc(C)[nH+]1 ZINC000898559231 584141949 /nfs/dbraw/zinc/14/19/49/584141949.db2.gz IVUDGZXNCDZVBQ-JTQLQIEISA-N 1 2 236.319 0.819 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000898579377 584142515 /nfs/dbraw/zinc/14/25/15/584142515.db2.gz QQPHPNWLAWLLDP-PSASIEDQSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000898579377 584142517 /nfs/dbraw/zinc/14/25/17/584142517.db2.gz QQPHPNWLAWLLDP-PSASIEDQSA-N 1 2 223.276 0.793 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NC(CF)CF)c1 ZINC000898619478 584147758 /nfs/dbraw/zinc/14/77/58/584147758.db2.gz KALXRBWPCRWMPR-UHFFFAOYSA-N 1 2 232.234 0.527 20 0 BCADLO C[C@@H]1COCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620803 584147941 /nfs/dbraw/zinc/14/79/41/584147941.db2.gz UBAIRGRGHBSPFS-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000898744070 584155818 /nfs/dbraw/zinc/15/58/18/584155818.db2.gz ASROXRQFXLPONR-LURJTMIESA-N 1 2 234.263 0.654 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000898744070 584155820 /nfs/dbraw/zinc/15/58/20/584155820.db2.gz ASROXRQFXLPONR-LURJTMIESA-N 1 2 234.263 0.654 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000898744078 584155835 /nfs/dbraw/zinc/15/58/35/584155835.db2.gz ASROXRQFXLPONR-ZCFIWIBFSA-N 1 2 234.263 0.654 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000898744078 584155837 /nfs/dbraw/zinc/15/58/37/584155837.db2.gz ASROXRQFXLPONR-ZCFIWIBFSA-N 1 2 234.263 0.654 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000898745002 584156337 /nfs/dbraw/zinc/15/63/37/584156337.db2.gz KFCFCBFCDBMFMT-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810155 584160291 /nfs/dbraw/zinc/16/02/91/584160291.db2.gz JIMVYCRIPDRKQI-NGZCFLSTSA-N 1 2 235.287 0.869 20 0 BCADLO CC/C=C(/C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898896514 584165117 /nfs/dbraw/zinc/16/51/17/584165117.db2.gz VIGVEKNHULIAGA-HYHWUIIZSA-N 1 2 237.303 0.926 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000899246485 584187437 /nfs/dbraw/zinc/18/74/37/584187437.db2.gz RQRCXNOHEFXWBU-RVBZMBCESA-N 1 2 247.298 0.420 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000899246485 584187439 /nfs/dbraw/zinc/18/74/39/584187439.db2.gz RQRCXNOHEFXWBU-RVBZMBCESA-N 1 2 247.298 0.420 20 0 BCADLO C[C@H]1CCc2c1[nH]n(C1CC[NH2+]CC1)c2=O ZINC000899364285 584205127 /nfs/dbraw/zinc/20/51/27/584205127.db2.gz PWYYYPCUDGYVEC-WCBMZHEXSA-N 1 2 221.304 0.983 20 0 BCADLO O=C1CC(c2cccnc2)=NN1C1CC[NH2+]CC1 ZINC000899363861 584205697 /nfs/dbraw/zinc/20/56/97/584205697.db2.gz IPRKGDJCNPGOEY-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO O=c1cc(-c2cccnc2)[nH]n1C1CC[NH2+]CC1 ZINC000899363861 584205700 /nfs/dbraw/zinc/20/57/00/584205700.db2.gz IPRKGDJCNPGOEY-UHFFFAOYSA-N 1 2 244.298 0.770 20 0 BCADLO Cn1c[nH+]cc1C[S@](=O)CCOC1CC1 ZINC000899394329 584209890 /nfs/dbraw/zinc/20/98/90/584209890.db2.gz GLEJGTXUFWBHFK-OAHLLOKOSA-N 1 2 228.317 0.848 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000899473792 584217121 /nfs/dbraw/zinc/21/71/21/584217121.db2.gz YRYUDQDJKAGJHM-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000899473792 584217122 /nfs/dbraw/zinc/21/71/22/584217122.db2.gz YRYUDQDJKAGJHM-SNVBAGLBSA-N 1 2 224.308 0.501 20 0 BCADLO Cn1c[nH+]cc1CCS(=O)(=O)C1CCC1 ZINC000899502121 584218742 /nfs/dbraw/zinc/21/87/42/584218742.db2.gz ZHGBXKGDQNXVBE-UHFFFAOYSA-N 1 2 228.317 0.930 20 0 BCADLO CCn1cc(C[N@@H+]2CCc3nc[nH]c3C2)nn1 ZINC000899871199 584244281 /nfs/dbraw/zinc/24/42/81/584244281.db2.gz IRMGAFLHPDMXPU-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1cc(C[N@H+]2CCc3nc[nH]c3C2)nn1 ZINC000899871199 584244283 /nfs/dbraw/zinc/24/42/83/584244283.db2.gz IRMGAFLHPDMXPU-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000858580435 588968933 /nfs/dbraw/zinc/96/89/33/588968933.db2.gz OJVSVUDACCHBEI-YUMQZZPRSA-N 1 2 226.280 0.469 20 0 BCADLO Cc1ncc(C(=O)NCCCn2cc[nH+]c2)n1C ZINC000899921197 584256423 /nfs/dbraw/zinc/25/64/23/584256423.db2.gz QVCFMEHEJMDVQC-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO 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CC[C@@]1(C)COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901300244 584419119 /nfs/dbraw/zinc/41/91/19/584419119.db2.gz IZTAUFLAAMXFMK-LBPRGKRZSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC(=O)C1CC1 ZINC000901302686 584419596 /nfs/dbraw/zinc/41/95/96/584419596.db2.gz FMRCEUAGQQFOPF-UHFFFAOYSA-N 1 2 233.271 0.589 20 0 BCADLO C[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000901306627 584420358 /nfs/dbraw/zinc/42/03/58/584420358.db2.gz SPKCVCLBWUJENK-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]1C[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901306627 584420359 /nfs/dbraw/zinc/42/03/59/584420359.db2.gz SPKCVCLBWUJENK-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H](CO)C1CC1 ZINC000901293812 584423181 /nfs/dbraw/zinc/42/31/81/584423181.db2.gz ANLPJDIIRYUXFC-SNVBAGLBSA-N 1 2 235.287 0.381 20 0 BCADLO CO[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901330172 584424424 /nfs/dbraw/zinc/42/44/24/584424424.db2.gz POOZCTPVSGASRD-GXSJLCMTSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901330172 584424425 /nfs/dbraw/zinc/42/44/25/584424425.db2.gz POOZCTPVSGASRD-GXSJLCMTSA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901355963 584431947 /nfs/dbraw/zinc/43/19/47/584431947.db2.gz WKLTUSAEEHMQFK-LLVKDONJSA-N 1 2 237.303 0.836 20 0 BCADLO c1snnc1-c1cc([C@H]2COCC[NH2+]2)on1 ZINC000901404225 584439646 /nfs/dbraw/zinc/43/96/46/584439646.db2.gz FDWARVKVXXLIIX-SSDOTTSWSA-N 1 2 238.272 0.854 20 0 BCADLO CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)[O-] ZINC000901489031 584452426 /nfs/dbraw/zinc/45/24/26/584452426.db2.gz LVKBFHJHPCBAFT-UHFFFAOYSA-N 1 2 223.276 0.782 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)OCCF)C1 ZINC000858927088 588985602 /nfs/dbraw/zinc/98/56/02/588985602.db2.gz KWVOTLQKLZNQNK-QMMMGPOBSA-N 1 2 220.244 0.013 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)OCCF)C1 ZINC000858927088 588985604 /nfs/dbraw/zinc/98/56/04/588985604.db2.gz KWVOTLQKLZNQNK-QMMMGPOBSA-N 1 2 220.244 0.013 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@H](C)[NH+]1CCOCC1 ZINC000858949409 588986858 /nfs/dbraw/zinc/98/68/58/588986858.db2.gz PONTZINBUKGLOE-UWVGGRQHSA-N 1 2 248.298 0.791 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)OCCF)CC1 ZINC000858969199 588987767 /nfs/dbraw/zinc/98/77/67/588987767.db2.gz JYSXFJCNZKBLBS-UHFFFAOYSA-N 1 2 248.298 0.747 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1cn(CC)cn1 ZINC000902038227 584515207 /nfs/dbraw/zinc/51/52/07/584515207.db2.gz PGOPPRBBDVRDOU-UHFFFAOYSA-N 1 2 224.308 0.519 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902047995 584516778 /nfs/dbraw/zinc/51/67/78/584516778.db2.gz AVZQKRNFAOOTIG-RCWTZXSCSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902047995 584516780 /nfs/dbraw/zinc/51/67/80/584516780.db2.gz AVZQKRNFAOOTIG-RCWTZXSCSA-N 1 2 224.304 0.531 20 0 BCADLO CC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902126625 584529286 /nfs/dbraw/zinc/52/92/86/584529286.db2.gz IKOURAWSPIQLJI-BJDJZHNGSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H](C)O1 ZINC000902126625 584529289 /nfs/dbraw/zinc/52/92/89/584529289.db2.gz IKOURAWSPIQLJI-BJDJZHNGSA-N 1 2 238.331 0.922 20 0 BCADLO CCC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902202380 584537792 /nfs/dbraw/zinc/53/77/92/584537792.db2.gz VEXOEHYOXYUHHB-SRVKXCTJSA-N 1 2 238.331 0.923 20 0 BCADLO CCC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902202380 584537793 /nfs/dbraw/zinc/53/77/93/584537793.db2.gz VEXOEHYOXYUHHB-SRVKXCTJSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)[C@@H](C)O1 ZINC000902232458 584542495 /nfs/dbraw/zinc/54/24/95/584542495.db2.gz ACRMVDHKFRMTPP-JCIQBVFBSA-N 1 2 238.331 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H](C)[C@@H](C)O1 ZINC000902232458 584542496 /nfs/dbraw/zinc/54/24/96/584542496.db2.gz ACRMVDHKFRMTPP-JCIQBVFBSA-N 1 2 238.331 0.920 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOC1CC1 ZINC000902252054 584543492 /nfs/dbraw/zinc/54/34/92/584543492.db2.gz BFRFAKZRNBRHJY-UHFFFAOYSA-N 1 2 243.307 0.579 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1CCOC1=O ZINC000902238924 584543531 /nfs/dbraw/zinc/54/35/31/584543531.db2.gz PWTOOOYVODNKRZ-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CN1CCOC1=O ZINC000902238924 584543534 /nfs/dbraw/zinc/54/35/34/584543534.db2.gz PWTOOOYVODNKRZ-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCCCCNC(C)=O ZINC000902279916 584547380 /nfs/dbraw/zinc/54/73/80/584547380.db2.gz CIHTYRMJFNSFRI-VIFPVBQESA-N 1 2 245.323 0.826 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1C[C@@]12CCOC2 ZINC000902280974 584547410 /nfs/dbraw/zinc/54/74/10/584547410.db2.gz IMQOPGNYZDGBCP-FXPVBKGRSA-N 1 2 228.292 0.946 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+](CN2CCOC2=O)CCO1 ZINC000902310497 584555013 /nfs/dbraw/zinc/55/50/13/584555013.db2.gz DDUHIURMIYVKGM-LBPRGKRZSA-N 1 2 240.303 0.897 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902310497 584555015 /nfs/dbraw/zinc/55/50/15/584555015.db2.gz DDUHIURMIYVKGM-LBPRGKRZSA-N 1 2 240.303 0.897 20 0 BCADLO C[N@@H+](CC1=CCCOC1)CN1CCOC1=O ZINC000902316962 584556098 /nfs/dbraw/zinc/55/60/98/584556098.db2.gz SMBJYKBWDBGHOJ-UHFFFAOYSA-N 1 2 226.276 0.675 20 0 BCADLO C[N@H+](CC1=CCCOC1)CN1CCOC1=O ZINC000902316962 584556099 /nfs/dbraw/zinc/55/60/99/584556099.db2.gz SMBJYKBWDBGHOJ-UHFFFAOYSA-N 1 2 226.276 0.675 20 0 BCADLO C[C@H](O)c1nnnn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902371473 584566686 /nfs/dbraw/zinc/56/66/86/584566686.db2.gz YRFLIOOANOZOJO-QMMMGPOBSA-N 1 2 248.290 0.236 20 0 BCADLO NC(=[NH+]OCc1ccc(N)nc1)[C@@H]1CCCO1 ZINC000902380548 584576215 /nfs/dbraw/zinc/57/62/15/584576215.db2.gz HRAVDGDHINMPDR-VIFPVBQESA-N 1 2 236.275 0.841 20 0 BCADLO NC(=[NH+]OCc1cnsn1)[C@@H]1CCCO1 ZINC000902381154 584576865 /nfs/dbraw/zinc/57/68/65/584576865.db2.gz KTILPJQEIORCPR-ZETCQYMHSA-N 1 2 228.277 0.716 20 0 BCADLO CCOC(=O)NOCc1ccc(N)[nH+]c1 ZINC000902451922 584607246 /nfs/dbraw/zinc/60/72/46/584607246.db2.gz WFLCGGNTOFEVFB-UHFFFAOYSA-N 1 2 211.221 0.842 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859089780 588999571 /nfs/dbraw/zinc/99/95/71/588999571.db2.gz KUKCMONWVNMQQB-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859089780 588999572 /nfs/dbraw/zinc/99/95/72/588999572.db2.gz KUKCMONWVNMQQB-JTQLQIEISA-N 1 2 237.278 0.931 20 0 BCADLO Cc1cc(C)n(Cc2c[nH+]cn2C)c(=O)n1 ZINC000902510815 584623474 /nfs/dbraw/zinc/62/34/74/584623474.db2.gz BKYMJXDLQBCXPA-UHFFFAOYSA-N 1 2 218.260 0.642 20 0 BCADLO CCO[C@H]1CC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000902529857 584633315 /nfs/dbraw/zinc/63/33/15/584633315.db2.gz ZWNHVIONLUPVPQ-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO CCO[C@H]1CC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000902529857 584633316 /nfs/dbraw/zinc/63/33/16/584633316.db2.gz ZWNHVIONLUPVPQ-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO CN(C)c1ccc(CO[NH+]=C(N)CO)cn1 ZINC000902534426 584633960 /nfs/dbraw/zinc/63/39/60/584633960.db2.gz BCPFABDRUYTJTO-UHFFFAOYSA-N 1 2 224.264 0.138 20 0 BCADLO CCn1c[nH+]c(CNc2nncn2C)c1 ZINC000902592686 584635724 /nfs/dbraw/zinc/63/57/24/584635724.db2.gz AXVDZLOFHACEPW-UHFFFAOYSA-N 1 2 206.253 0.644 20 0 BCADLO C[N@@H+](Cc1cccc(=O)[nH]1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902571284 584636301 /nfs/dbraw/zinc/63/63/01/584636301.db2.gz HDJWOZNBQRKPOM-ONGXEEELSA-N 1 2 247.298 0.655 20 0 BCADLO C[N@H+](Cc1cccc(=O)[nH]1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902571284 584636303 /nfs/dbraw/zinc/63/63/03/584636303.db2.gz HDJWOZNBQRKPOM-ONGXEEELSA-N 1 2 247.298 0.655 20 0 BCADLO CN(C)C(=O)NOCc1ccc(N(C)C)[nH+]c1 ZINC000902601613 584641243 /nfs/dbraw/zinc/64/12/43/584641243.db2.gz AKHDBGODGKQESA-UHFFFAOYSA-N 1 2 238.291 0.850 20 0 BCADLO CCc1noc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000902609921 584642741 /nfs/dbraw/zinc/64/27/41/584642741.db2.gz OKIWJIOMSDJCJB-UHFFFAOYSA-N 1 2 224.264 0.020 20 0 BCADLO CCn1c[nH+]c(CNCc2cnn(CC)n2)c1 ZINC000902623094 584645280 /nfs/dbraw/zinc/64/52/80/584645280.db2.gz UHSAWCVFGJZKQW-UHFFFAOYSA-N 1 2 234.307 0.804 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CC[C@@H]1CO ZINC000902630384 584646851 /nfs/dbraw/zinc/64/68/51/584646851.db2.gz ALBGUMIXVWUCGA-WDEREUQCSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902630384 584646852 /nfs/dbraw/zinc/64/68/52/584646852.db2.gz ALBGUMIXVWUCGA-WDEREUQCSA-N 1 2 224.304 0.269 20 0 BCADLO O=C1OC2(CCCC2)CN1C[N@H+]1CC[C@H]1CO ZINC000902631824 584646947 /nfs/dbraw/zinc/64/69/47/584646947.db2.gz JLBBXHVPQCKVQZ-JTQLQIEISA-N 1 2 240.303 0.776 20 0 BCADLO O=C1OC2(CCCC2)CN1C[N@@H+]1CC[C@H]1CO ZINC000902631824 584646948 /nfs/dbraw/zinc/64/69/48/584646948.db2.gz JLBBXHVPQCKVQZ-JTQLQIEISA-N 1 2 240.303 0.776 20 0 BCADLO O=C1CC2(CCCC2)N1C[N@H+]1CC[C@@H]1CO ZINC000902630424 584647087 /nfs/dbraw/zinc/64/70/87/584647087.db2.gz AZEYJMYLDMAZJN-SNVBAGLBSA-N 1 2 224.304 0.556 20 0 BCADLO O=C1CC2(CCCC2)N1C[N@@H+]1CC[C@@H]1CO ZINC000902630424 584647089 /nfs/dbraw/zinc/64/70/89/584647089.db2.gz AZEYJMYLDMAZJN-SNVBAGLBSA-N 1 2 224.304 0.556 20 0 BCADLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631686 584647299 /nfs/dbraw/zinc/64/72/99/584647299.db2.gz IJGOELRISDOQAU-QWRGUYRKSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631686 584647300 /nfs/dbraw/zinc/64/73/00/584647300.db2.gz IJGOELRISDOQAU-QWRGUYRKSA-N 1 2 226.320 0.515 20 0 BCADLO CC1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902632725 584647601 /nfs/dbraw/zinc/64/76/01/584647601.db2.gz OJRNWTOKNBYTNM-SECBINFHSA-N 1 2 212.293 0.269 20 0 BCADLO CC1(C)CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902632725 584647602 /nfs/dbraw/zinc/64/76/02/584647602.db2.gz OJRNWTOKNBYTNM-SECBINFHSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902633939 584647644 /nfs/dbraw/zinc/64/76/44/584647644.db2.gz YIESAKBUNKRVKL-JQWIXIFHSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902633939 584647645 /nfs/dbraw/zinc/64/76/45/584647645.db2.gz YIESAKBUNKRVKL-JQWIXIFHSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902632443 584647668 /nfs/dbraw/zinc/64/76/68/584647668.db2.gz NGYSUONFIQKOCD-NXEZZACHSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902632443 584647669 /nfs/dbraw/zinc/64/76/69/584647669.db2.gz NGYSUONFIQKOCD-NXEZZACHSA-N 1 2 212.293 0.269 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CC[C@H]1CO ZINC000902633964 584647952 /nfs/dbraw/zinc/64/79/52/584647952.db2.gz YWTAJXUFMXXAQN-SFYZADRCSA-N 1 2 234.246 0.124 20 0 BCADLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CC[C@H]1CO ZINC000902633964 584647953 /nfs/dbraw/zinc/64/79/53/584647953.db2.gz YWTAJXUFMXXAQN-SFYZADRCSA-N 1 2 234.246 0.124 20 0 BCADLO O=C1N(C[N@H+]2CC[C@@H]2CO)CCC12CCC2 ZINC000902634856 584648097 /nfs/dbraw/zinc/64/80/97/584648097.db2.gz UHCTUOAOCWQLKG-SNVBAGLBSA-N 1 2 224.304 0.413 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@@H]2CO)CCC12CCC2 ZINC000902634856 584648100 /nfs/dbraw/zinc/64/81/00/584648100.db2.gz UHCTUOAOCWQLKG-SNVBAGLBSA-N 1 2 224.304 0.413 20 0 BCADLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902634705 584648178 /nfs/dbraw/zinc/64/81/78/584648178.db2.gz PPJDUGSHLLXNIH-MNOVXSKESA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902634705 584648180 /nfs/dbraw/zinc/64/81/80/584648180.db2.gz PPJDUGSHLLXNIH-MNOVXSKESA-N 1 2 226.320 0.515 20 0 BCADLO C[C@H]1C(=O)N(C[N@@H+]2CC[C@H]2CO)C[C@H]1C ZINC000902634233 584648372 /nfs/dbraw/zinc/64/83/72/584648372.db2.gz CWEYZDGCRAODFR-BBBLOLIVSA-N 1 2 212.293 0.125 20 0 BCADLO C[C@H]1C(=O)N(C[N@H+]2CC[C@H]2CO)C[C@H]1C ZINC000902634233 584648375 /nfs/dbraw/zinc/64/83/75/584648375.db2.gz CWEYZDGCRAODFR-BBBLOLIVSA-N 1 2 212.293 0.125 20 0 BCADLO CCc1noc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000902663925 584652967 /nfs/dbraw/zinc/65/29/67/584652967.db2.gz XGAQDSHNBXEPMB-UHFFFAOYSA-N 1 2 249.274 0.338 20 0 BCADLO CCc1noc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000902700727 584655943 /nfs/dbraw/zinc/65/59/43/584655943.db2.gz BPUBYAPMNJLYTA-UHFFFAOYSA-N 1 2 247.258 0.554 20 0 BCADLO CCc1noc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000902700727 584655944 /nfs/dbraw/zinc/65/59/44/584655944.db2.gz BPUBYAPMNJLYTA-UHFFFAOYSA-N 1 2 247.258 0.554 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1nn(C)cc1C ZINC000902717804 584657778 /nfs/dbraw/zinc/65/77/78/584657778.db2.gz UKJIGRRHGURMCR-MRVPVSSYSA-N 1 2 226.280 0.762 20 0 BCADLO COCC(COC)O[NH+]=C(N)[C@@H](C)OC ZINC000902717303 584657939 /nfs/dbraw/zinc/65/79/39/584657939.db2.gz OKGRILPUULKGPE-SSDOTTSWSA-N 1 2 220.269 0.181 20 0 BCADLO COCC(COC)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000902737713 584662569 /nfs/dbraw/zinc/66/25/69/584662569.db2.gz BQTLICDOQYPMMF-VIFPVBQESA-N 1 2 232.280 0.325 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@H]1C[N@H+](C)CCO1 ZINC000859072325 588997362 /nfs/dbraw/zinc/99/73/62/588997362.db2.gz IWRIDFLYHAYVSC-DTWKUNHWSA-N 1 2 234.271 0.401 20 0 BCADLO C[C@H](NC(=O)OCCF)[C@H]1C[N@@H+](C)CCO1 ZINC000859072325 588997364 /nfs/dbraw/zinc/99/73/64/588997364.db2.gz IWRIDFLYHAYVSC-DTWKUNHWSA-N 1 2 234.271 0.401 20 0 BCADLO CCNC(=O)NOCc1ccc[nH+]c1N ZINC000902772312 584668362 /nfs/dbraw/zinc/66/83/62/584668362.db2.gz KUGTYRAMAKIBMX-UHFFFAOYSA-N 1 2 210.237 0.415 20 0 BCADLO Cn1c[nH+]c2cc(OCCOCCO)ccc21 ZINC000902781400 584670421 /nfs/dbraw/zinc/67/04/21/584670421.db2.gz RMWCMATUEXRKPR-UHFFFAOYSA-N 1 2 236.271 0.961 20 0 BCADLO O=C(CCO)NCCCNc1cccc[nH+]1 ZINC000902803680 584671428 /nfs/dbraw/zinc/67/14/28/584671428.db2.gz QALWLJSSCQBTFD-UHFFFAOYSA-N 1 2 223.276 0.382 20 0 BCADLO O=C(CCO)N1CC[NH+](Cc2ccccn2)CC1 ZINC000902788562 584672864 /nfs/dbraw/zinc/67/28/64/584672864.db2.gz YZNBOFLGTLHOHL-UHFFFAOYSA-N 1 2 249.314 0.108 20 0 BCADLO Cc1ccc(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000902934941 584699937 /nfs/dbraw/zinc/69/99/37/584699937.db2.gz SNGSWPRASOPBDH-GFCCVEGCSA-N 1 2 246.310 0.998 20 0 BCADLO Cc1ccc(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000902934941 584699938 /nfs/dbraw/zinc/69/99/38/584699938.db2.gz SNGSWPRASOPBDH-GFCCVEGCSA-N 1 2 246.310 0.998 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)NCC1CC1 ZINC000902996506 584714241 /nfs/dbraw/zinc/71/42/41/584714241.db2.gz SXUWWRLLGHMOKE-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NCC1CC1 ZINC000902996506 584714242 /nfs/dbraw/zinc/71/42/42/584714242.db2.gz SXUWWRLLGHMOKE-JTQLQIEISA-N 1 2 214.284 0.947 20 0 BCADLO O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@H](F)C2)C1 ZINC000902996484 584714314 /nfs/dbraw/zinc/71/43/14/584714314.db2.gz SFTPVXATFZLYSF-UWVGGRQHSA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902996484 584714315 /nfs/dbraw/zinc/71/43/15/584714315.db2.gz SFTPVXATFZLYSF-UWVGGRQHSA-N 1 2 235.324 0.855 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902998905 584715146 /nfs/dbraw/zinc/71/51/46/584715146.db2.gz RTODYGHWWSECPV-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCC[C@@H](F)C1 ZINC000902998905 584715147 /nfs/dbraw/zinc/71/51/47/584715147.db2.gz RTODYGHWWSECPV-SECBINFHSA-N 1 2 223.313 0.855 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](F)C2)CCO1 ZINC000903002772 584716146 /nfs/dbraw/zinc/71/61/46/584716146.db2.gz HBNAGXKTVYRZIE-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](F)C2)CCO1 ZINC000903002772 584716147 /nfs/dbraw/zinc/71/61/47/584716147.db2.gz HBNAGXKTVYRZIE-WDEREUQCSA-N 1 2 244.310 0.668 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002249 584716302 /nfs/dbraw/zinc/71/63/02/584716302.db2.gz ZAYWXWNYGDDYSK-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002249 584716303 /nfs/dbraw/zinc/71/63/03/584716303.db2.gz ZAYWXWNYGDDYSK-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002763 584716508 /nfs/dbraw/zinc/71/65/08/584716508.db2.gz GWDZVEMGTNLKGT-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002763 584716510 /nfs/dbraw/zinc/71/65/10/584716510.db2.gz GWDZVEMGTNLKGT-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027184 584722181 /nfs/dbraw/zinc/72/21/81/584722181.db2.gz OXZAGZJFFIACEW-UWVGGRQHSA-N 1 2 248.286 0.278 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027184 584722183 /nfs/dbraw/zinc/72/21/83/584722183.db2.gz OXZAGZJFFIACEW-UWVGGRQHSA-N 1 2 248.286 0.278 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)OCCF ZINC000859133212 589007298 /nfs/dbraw/zinc/00/72/98/589007298.db2.gz BJFLVHBQGUUVFJ-UHFFFAOYSA-N 1 2 246.282 0.547 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cnn(C)n1 ZINC000903297166 584743199 /nfs/dbraw/zinc/74/31/99/584743199.db2.gz RCUDLADXMPMZSO-FBIMIBRVSA-N 1 2 240.307 0.270 20 0 BCADLO NOCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000904345218 584867785 /nfs/dbraw/zinc/86/77/85/584867785.db2.gz AGHFJRNXSBTRCY-UHFFFAOYSA-N 1 2 249.274 0.736 20 0 BCADLO c1cn(C2CC2)c(C[NH2+]C[C@H]2COCCN2)n1 ZINC000904381427 584876907 /nfs/dbraw/zinc/87/69/07/584876907.db2.gz OUMLRXCNNBHPJC-JTQLQIEISA-N 1 2 236.319 0.296 20 0 BCADLO c1cn(-c2ccccc2)c(C[NH2+][C@H]2CNOC2)n1 ZINC000904423533 584880186 /nfs/dbraw/zinc/88/01/86/584880186.db2.gz BEHOHZCGYAOMFM-NSHDSACASA-N 1 2 244.298 0.865 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCCON ZINC000904398484 584880519 /nfs/dbraw/zinc/88/05/19/584880519.db2.gz QIBDRVUFODOUEC-UHFFFAOYSA-N 1 2 224.264 0.214 20 0 BCADLO COC(=O)c1ccc(C[NH2+][C@@H]2CNOC2)o1 ZINC000904425122 584880890 /nfs/dbraw/zinc/88/08/90/584880890.db2.gz YYBMMLDHJFAFAK-SSDOTTSWSA-N 1 2 226.232 0.059 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000826050343 584894306 /nfs/dbraw/zinc/89/43/06/584894306.db2.gz WBUQZNJAVPBQHW-OUAUKWLOSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000826050343 584894307 /nfs/dbraw/zinc/89/43/07/584894307.db2.gz WBUQZNJAVPBQHW-OUAUKWLOSA-N 1 2 241.335 0.669 20 0 BCADLO C[N@H+](CN1CCSC1=O)[C@H]1CCOC1 ZINC000730260286 584897061 /nfs/dbraw/zinc/89/70/61/584897061.db2.gz NVTPJIZOIIWCRO-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO C[N@@H+](CN1CCSC1=O)[C@H]1CCOC1 ZINC000730260286 584897062 /nfs/dbraw/zinc/89/70/62/584897062.db2.gz NVTPJIZOIIWCRO-QMMMGPOBSA-N 1 2 216.306 0.833 20 0 BCADLO COC1(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000830832367 584908705 /nfs/dbraw/zinc/90/87/05/584908705.db2.gz IUVFTQDHOBJSOV-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO COC1(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000830832367 584908706 /nfs/dbraw/zinc/90/87/06/584908706.db2.gz IUVFTQDHOBJSOV-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000831367097 584909612 /nfs/dbraw/zinc/90/96/12/584909612.db2.gz HAYQLUNWZKDGSY-RKDXNWHRSA-N 1 2 223.276 0.182 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000831958486 584911068 /nfs/dbraw/zinc/91/10/68/584911068.db2.gz IEUOEPUPLNFZCS-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nccn1C ZINC000741262205 584914452 /nfs/dbraw/zinc/91/44/52/584914452.db2.gz UJBUQYUZHJWWOE-VIFPVBQESA-N 1 2 233.275 0.435 20 0 BCADLO COCC[N@@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000730788489 584915842 /nfs/dbraw/zinc/91/58/42/584915842.db2.gz URCCFIWDYJNRTH-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO COCC[N@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000730788489 584915843 /nfs/dbraw/zinc/91/58/43/584915843.db2.gz URCCFIWDYJNRTH-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(n2cccn2)CC1 ZINC000731353798 584925496 /nfs/dbraw/zinc/92/54/96/584925496.db2.gz GPMXMLSYCYYECU-UHFFFAOYSA-N 1 2 247.306 0.244 20 0 BCADLO CC(C)[C@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000837642668 584938357 /nfs/dbraw/zinc/93/83/57/584938357.db2.gz AAZLAYNYQLDKFL-LBPRGKRZSA-N 1 2 240.303 0.913 20 0 BCADLO CC[C@H](O)CC(=O)OCC[NH+]1CCOCC1 ZINC000837809107 584938682 /nfs/dbraw/zinc/93/86/82/584938682.db2.gz MIONQSIEEDGJFJ-JTQLQIEISA-N 1 2 231.292 0.023 20 0 BCADLO CS(=O)(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000733614197 584951367 /nfs/dbraw/zinc/95/13/67/584951367.db2.gz CVDIWSOHSFXFBJ-UHFFFAOYSA-N 1 2 246.376 0.201 20 0 BCADLO CCc1nc(NC[C@@]2(O)CCO[C@@H]2C)cc[nH+]1 ZINC000884491431 584954509 /nfs/dbraw/zinc/95/45/09/584954509.db2.gz VKHKEPTUAGBURP-SKDRFNHKSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(N2CC[C@](C)(C(N)=O)C2)cc[nH+]1 ZINC000884493941 584954595 /nfs/dbraw/zinc/95/45/95/584954595.db2.gz GYQIFDFWUYIDFE-LBPRGKRZSA-N 1 2 234.303 0.741 20 0 BCADLO CC[S@@](=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000733962250 584955647 /nfs/dbraw/zinc/95/56/47/584955647.db2.gz JRBLFKBGDMKFLH-MRXNPFEDSA-N 1 2 243.332 0.158 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nc(C)no2)CCCC1 ZINC000734000336 584956303 /nfs/dbraw/zinc/95/63/03/584956303.db2.gz VBBOLOOGXPEIGQ-UHFFFAOYSA-N 1 2 238.291 0.526 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000769497435 584966452 /nfs/dbraw/zinc/96/64/52/584966452.db2.gz DSBHZDNRRQDPLB-UHFFFAOYSA-N 1 2 223.276 0.737 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1nonc1C)C(C)C ZINC000815133027 584972780 /nfs/dbraw/zinc/97/27/80/584972780.db2.gz DPVQZFIROXMEAV-JTQLQIEISA-N 1 2 240.307 0.628 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCS(=O)(=O)CC ZINC000735671194 584980691 /nfs/dbraw/zinc/98/06/91/584980691.db2.gz BFPAQOGKCBTTGM-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CCS(=O)(=O)CC ZINC000735671194 584980692 /nfs/dbraw/zinc/98/06/92/584980692.db2.gz BFPAQOGKCBTTGM-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCOCC1 ZINC000816947867 584982108 /nfs/dbraw/zinc/98/21/08/584982108.db2.gz FHFRKXWGKMGJNT-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000735836737 584982426 /nfs/dbraw/zinc/98/24/26/584982426.db2.gz HXWSHYGCGPZKHA-JTQLQIEISA-N 1 2 239.319 0.796 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736220185 584992553 /nfs/dbraw/zinc/99/25/53/584992553.db2.gz ZFLIWHVWHCILCT-MNOVXSKESA-N 1 2 242.319 0.114 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736220185 584992554 /nfs/dbraw/zinc/99/25/54/584992554.db2.gz ZFLIWHVWHCILCT-MNOVXSKESA-N 1 2 242.319 0.114 20 0 BCADLO CCO[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788079974 585022324 /nfs/dbraw/zinc/02/23/24/585022324.db2.gz ICEYJVPFFLMDDV-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO CCO[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788079974 585022325 /nfs/dbraw/zinc/02/23/25/585022325.db2.gz ICEYJVPFFLMDDV-NXEZZACHSA-N 1 2 233.283 0.998 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cncn2C)c1 ZINC000890107601 585023672 /nfs/dbraw/zinc/02/36/72/585023672.db2.gz MNRVXSSNGNZMBJ-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cc1ccc(CC(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890116705 585024172 /nfs/dbraw/zinc/02/41/72/585024172.db2.gz BKXOFENVGIGBEA-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cc1ccc(CS(=O)(=O)CCO)c(C)[nH+]1 ZINC000774031338 585025911 /nfs/dbraw/zinc/02/59/11/585025911.db2.gz MPBWENQRMZFTSU-UHFFFAOYSA-N 1 2 229.301 0.606 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cnsn1 ZINC000823355160 585028161 /nfs/dbraw/zinc/02/81/61/585028161.db2.gz BUMSYFPTDZDTKL-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cnsn1 ZINC000823355160 585028162 /nfs/dbraw/zinc/02/81/62/585028162.db2.gz BUMSYFPTDZDTKL-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000889319594 585037926 /nfs/dbraw/zinc/03/79/26/585037926.db2.gz ZEQDRTLOGUZSGG-NXEZZACHSA-N 1 2 223.276 0.588 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000838782893 585069800 /nfs/dbraw/zinc/06/98/00/585069800.db2.gz OESXCZDPBIQOLB-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000838782893 585069801 /nfs/dbraw/zinc/06/98/01/585069801.db2.gz OESXCZDPBIQOLB-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000838817860 585071790 /nfs/dbraw/zinc/07/17/90/585071790.db2.gz RPXZXENBOBKILH-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000838817860 585071791 /nfs/dbraw/zinc/07/17/91/585071791.db2.gz RPXZXENBOBKILH-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000838839525 585073715 /nfs/dbraw/zinc/07/37/15/585073715.db2.gz FJMIFKROILIPAW-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO CCn1ncc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000838839525 585073716 /nfs/dbraw/zinc/07/37/16/585073716.db2.gz FJMIFKROILIPAW-JTQLQIEISA-N 1 2 224.308 0.766 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000838865139 585076207 /nfs/dbraw/zinc/07/62/07/585076207.db2.gz FOTZIRUSMNRROV-SNVBAGLBSA-N 1 2 213.277 0.395 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000838865139 585076206 /nfs/dbraw/zinc/07/62/06/585076206.db2.gz FOTZIRUSMNRROV-SNVBAGLBSA-N 1 2 213.277 0.395 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H](O)C2CC2)CCCC1 ZINC000838901794 585080312 /nfs/dbraw/zinc/08/03/12/585080312.db2.gz SJIHESXBUSNOBA-SNVBAGLBSA-N 1 2 227.304 0.833 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@H](O)C2CC2)CC1=O ZINC000838938821 585082033 /nfs/dbraw/zinc/08/20/33/585082033.db2.gz CUBRQRXLAWCKJR-LBPRGKRZSA-N 1 2 240.347 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@H](O)C2CC2)CC1=O ZINC000838938821 585082034 /nfs/dbraw/zinc/08/20/34/585082034.db2.gz CUBRQRXLAWCKJR-LBPRGKRZSA-N 1 2 240.347 0.558 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000838981402 585084023 /nfs/dbraw/zinc/08/40/23/585084023.db2.gz PWNCEHSKPWWIGB-GWCFXTLKSA-N 1 2 249.362 0.870 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)C1CC1 ZINC000838977885 585084087 /nfs/dbraw/zinc/08/40/87/585084087.db2.gz RXAYUCZJQFHCEO-GUBZILKMSA-N 1 2 231.267 0.343 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)C1CC1 ZINC000838977885 585084088 /nfs/dbraw/zinc/08/40/88/585084088.db2.gz RXAYUCZJQFHCEO-GUBZILKMSA-N 1 2 231.267 0.343 20 0 BCADLO CCn1ncc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000839094242 585090716 /nfs/dbraw/zinc/09/07/16/585090716.db2.gz WOMSFVQIEQEBOC-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000839094242 585090717 /nfs/dbraw/zinc/09/07/17/585090717.db2.gz WOMSFVQIEQEBOC-SECBINFHSA-N 1 2 212.297 0.765 20 0 BCADLO CCn1ncc(C[N@H+](CC)[C@@H]2CCOC2)n1 ZINC000839111260 585091547 /nfs/dbraw/zinc/09/15/47/585091547.db2.gz PPLJYDDAQFQJIL-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](CC)[C@@H]2CCOC2)n1 ZINC000839111260 585091548 /nfs/dbraw/zinc/09/15/48/585091548.db2.gz PPLJYDDAQFQJIL-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+](CC)[C@@H](C)CO)n1 ZINC000839115547 585091981 /nfs/dbraw/zinc/09/19/81/585091981.db2.gz NVGCFKWMSSKUHT-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](CC)[C@@H](C)CO)n1 ZINC000839115547 585091982 /nfs/dbraw/zinc/09/19/82/585091982.db2.gz NVGCFKWMSSKUHT-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2cncnc2)C1 ZINC000839133435 585093988 /nfs/dbraw/zinc/09/39/88/585093988.db2.gz UADKXXAWWJRRML-UHFFFAOYSA-N 1 2 207.277 0.679 20 0 BCADLO CCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839180086 585096674 /nfs/dbraw/zinc/09/66/74/585096674.db2.gz OWKLMLUTHRGHJZ-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839180086 585096675 /nfs/dbraw/zinc/09/66/75/585096675.db2.gz OWKLMLUTHRGHJZ-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)OC[C@H]1CCCO1 ZINC000867012070 585103793 /nfs/dbraw/zinc/10/37/93/585103793.db2.gz ABFIAKMAAMTWIE-MRVPVSSYSA-N 1 2 225.248 0.815 20 0 BCADLO COC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000740868498 585107688 /nfs/dbraw/zinc/10/76/88/585107688.db2.gz JWEQZUBFQNVMQX-UHFFFAOYSA-N 1 2 231.259 0.497 20 0 BCADLO C[C@@H](C(=O)OCCO)[N@@H+]1CCc2ccccc2C1 ZINC000740984598 585108972 /nfs/dbraw/zinc/10/89/72/585108972.db2.gz CLJAVTKUDVOGTG-NSHDSACASA-N 1 2 249.310 0.969 20 0 BCADLO C[C@@H](C(=O)OCCO)[N@H+]1CCc2ccccc2C1 ZINC000740984598 585108973 /nfs/dbraw/zinc/10/89/73/585108973.db2.gz CLJAVTKUDVOGTG-NSHDSACASA-N 1 2 249.310 0.969 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C ZINC000741148052 585110515 /nfs/dbraw/zinc/11/05/15/585110515.db2.gz ODFXQJXSEUYURU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C ZINC000741148052 585110516 /nfs/dbraw/zinc/11/05/16/585110516.db2.gz ODFXQJXSEUYURU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147911 585110761 /nfs/dbraw/zinc/11/07/61/585110761.db2.gz YFLBHHYQHXHEAV-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO COC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147911 585110762 /nfs/dbraw/zinc/11/07/62/585110762.db2.gz YFLBHHYQHXHEAV-QMMMGPOBSA-N 1 2 215.249 0.187 20 0 BCADLO CCOCC[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000741245029 585111610 /nfs/dbraw/zinc/11/16/10/585111610.db2.gz CZRBEKXRIUPJQU-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOCC[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000741245029 585111611 /nfs/dbraw/zinc/11/16/11/585111611.db2.gz CZRBEKXRIUPJQU-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000741794050 585119381 /nfs/dbraw/zinc/11/93/81/585119381.db2.gz FFHBBGVLFUZLCO-ZDUSSCGKSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000741794050 585119382 /nfs/dbraw/zinc/11/93/82/585119382.db2.gz FFHBBGVLFUZLCO-ZDUSSCGKSA-N 1 2 248.326 0.802 20 0 BCADLO Cc1nc(N2CCCNC(=O)C2)cc[nH+]1 ZINC000742401377 585125853 /nfs/dbraw/zinc/12/58/53/585125853.db2.gz XGGCFOAKTYHRSL-UHFFFAOYSA-N 1 2 206.249 0.111 20 0 BCADLO CC[N@@H+]1CCN(CCS(=O)(=O)CC)C[C@H]1C ZINC000743273100 585134424 /nfs/dbraw/zinc/13/44/24/585134424.db2.gz RMQAENQKMKMFNB-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CC[N@H+]1CCN(CCS(=O)(=O)CC)C[C@H]1C ZINC000743273100 585134425 /nfs/dbraw/zinc/13/44/25/585134425.db2.gz RMQAENQKMKMFNB-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CC[N@H+](CCS(=O)(=O)CC)C[C@H]1C ZINC000743273100 585134426 /nfs/dbraw/zinc/13/44/26/585134426.db2.gz RMQAENQKMKMFNB-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CC[N@@H+](CCS(=O)(=O)CC)C[C@H]1C ZINC000743273100 585134427 /nfs/dbraw/zinc/13/44/27/585134427.db2.gz RMQAENQKMKMFNB-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000743349696 585135636 /nfs/dbraw/zinc/13/56/36/585135636.db2.gz GNLSCRDGHRSLSS-QMMMGPOBSA-N 1 2 241.316 0.624 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000743349696 585135637 /nfs/dbraw/zinc/13/56/37/585135637.db2.gz GNLSCRDGHRSLSS-QMMMGPOBSA-N 1 2 241.316 0.624 20 0 BCADLO C[N@H+](CCn1cccn1)CN1C(=O)CC12CCC2 ZINC000743365457 585136064 /nfs/dbraw/zinc/13/60/64/585136064.db2.gz SCUKBOIJXUTXQT-UHFFFAOYSA-N 1 2 248.330 0.927 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1C(=O)CC12CCC2 ZINC000743365457 585136065 /nfs/dbraw/zinc/13/60/65/585136065.db2.gz SCUKBOIJXUTXQT-UHFFFAOYSA-N 1 2 248.330 0.927 20 0 BCADLO S=c1[nH]ccn1C[N@@H+]1CCCOCC1 ZINC000743360192 585136202 /nfs/dbraw/zinc/13/62/02/585136202.db2.gz POKRDFFXWDJGAI-UHFFFAOYSA-N 1 2 213.306 0.852 20 0 BCADLO S=c1[nH]ccn1C[N@H+]1CCCOCC1 ZINC000743360192 585136203 /nfs/dbraw/zinc/13/62/03/585136203.db2.gz POKRDFFXWDJGAI-UHFFFAOYSA-N 1 2 213.306 0.852 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)COC)CCO1 ZINC000743850283 585140841 /nfs/dbraw/zinc/14/08/41/585140841.db2.gz IPULEPDSAQXIHD-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)COC)CCO1 ZINC000743850283 585140842 /nfs/dbraw/zinc/14/08/42/585140842.db2.gz IPULEPDSAQXIHD-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ncccn1 ZINC000746250197 585166380 /nfs/dbraw/zinc/16/63/80/585166380.db2.gz OCEZGPZYDQOERL-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO CCc1cc(CNC(=O)Cn2cc[nH+]c2)[nH]n1 ZINC000746253850 585166433 /nfs/dbraw/zinc/16/64/33/585166433.db2.gz PQZBQEQLWKWBJP-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO CCc1cc(CNC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000746253850 585166434 /nfs/dbraw/zinc/16/64/34/585166434.db2.gz PQZBQEQLWKWBJP-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCF)CC1 ZINC000746499653 585168941 /nfs/dbraw/zinc/16/89/41/585168941.db2.gz NZCNYHOOLDITTE-SNVBAGLBSA-N 1 2 243.326 0.241 20 0 BCADLO CCCNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789610189 585173202 /nfs/dbraw/zinc/17/32/02/585173202.db2.gz NWQOCGKXCXLUJN-MRVPVSSYSA-N 1 2 229.280 0.190 20 0 BCADLO CCCC(=O)NCC(=O)OCc1c[nH+]cn1C ZINC000747784665 585184276 /nfs/dbraw/zinc/18/42/76/585184276.db2.gz VTTNHCJFMXVSHB-UHFFFAOYSA-N 1 2 239.275 0.380 20 0 BCADLO Cc1cc(OCC(=O)Nc2cc[nH+]cc2O)no1 ZINC000748312870 585190602 /nfs/dbraw/zinc/19/06/02/585190602.db2.gz QGHDWHUCZJVAKO-UHFFFAOYSA-N 1 2 249.226 0.523 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)CC[N@@H+]1C ZINC000748346986 585190912 /nfs/dbraw/zinc/19/09/12/585190912.db2.gz DLQQJXRIWWVWEB-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)CC[N@H+]1C ZINC000748346986 585190913 /nfs/dbraw/zinc/19/09/13/585190913.db2.gz DLQQJXRIWWVWEB-MRVPVSSYSA-N 1 2 208.265 0.186 20 0 BCADLO COCCONC(=O)CCCn1cc[nH+]c1 ZINC000748769168 585195613 /nfs/dbraw/zinc/19/56/13/585195613.db2.gz KHJAHZAYEKMPJJ-UHFFFAOYSA-N 1 2 227.264 0.358 20 0 BCADLO COCCONC(=O)NCCCn1cc[nH+]c1 ZINC000748993470 585198140 /nfs/dbraw/zinc/19/81/40/585198140.db2.gz DYRZPFIPQYOMPW-UHFFFAOYSA-N 1 2 242.279 0.150 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COC)C(C)(C)C ZINC000749434699 585202259 /nfs/dbraw/zinc/20/22/59/585202259.db2.gz DIDCENSCFBBWMI-NXEZZACHSA-N 1 2 247.335 0.561 20 0 BCADLO O=C1C[N@H+](CCc2cccs2)CCN1 ZINC000749437441 585202374 /nfs/dbraw/zinc/20/23/74/585202374.db2.gz YONQUQDCORLSDK-UHFFFAOYSA-N 1 2 210.302 0.722 20 0 BCADLO O=C1C[N@@H+](CCc2cccs2)CCN1 ZINC000749437441 585202375 /nfs/dbraw/zinc/20/23/75/585202375.db2.gz YONQUQDCORLSDK-UHFFFAOYSA-N 1 2 210.302 0.722 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCCOC[C@@H]1C ZINC000749510329 585203068 /nfs/dbraw/zinc/20/30/68/585203068.db2.gz JRVGYALXUPMFNN-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCCOC[C@@H]1C ZINC000749510329 585203069 /nfs/dbraw/zinc/20/30/69/585203069.db2.gz JRVGYALXUPMFNN-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000749790444 585206012 /nfs/dbraw/zinc/20/60/12/585206012.db2.gz HPHDPYFQTJDPOJ-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000749790444 585206013 /nfs/dbraw/zinc/20/60/13/585206013.db2.gz HPHDPYFQTJDPOJ-SNVBAGLBSA-N 1 2 235.349 0.530 20 0 BCADLO O=Cc1ccc(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000749912561 585208314 /nfs/dbraw/zinc/20/83/14/585208314.db2.gz UVKWKAKERBLECI-UHFFFAOYSA-N 1 2 232.243 0.454 20 0 BCADLO O=C(CC[NH+]1CCOCC1)Nc1nncs1 ZINC000750864794 585220722 /nfs/dbraw/zinc/22/07/22/585220722.db2.gz DHULDVAETZSYJL-UHFFFAOYSA-N 1 2 242.304 0.199 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751367485 585227815 /nfs/dbraw/zinc/22/78/15/585227815.db2.gz NNWPXJQQYKZGDW-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751367485 585227816 /nfs/dbraw/zinc/22/78/16/585227816.db2.gz NNWPXJQQYKZGDW-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO CS/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000751579817 585233575 /nfs/dbraw/zinc/23/35/75/585233575.db2.gz NONAKEHYOPUERH-CLTKARDFSA-N 1 2 211.290 0.945 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1C[C@H]1C1CC1 ZINC000751747517 585236162 /nfs/dbraw/zinc/23/61/62/585236162.db2.gz VLLDAUORBREBSG-RYUDHWBXSA-N 1 2 239.315 0.908 20 0 BCADLO CC[C@H](C)OCC(=O)OCC[NH+]1CCOCC1 ZINC000751871316 585238065 /nfs/dbraw/zinc/23/80/65/585238065.db2.gz MFLRXRVNRVZUCS-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[C@@H](C)OCC(=O)OCC[NH+]1CCOCC1 ZINC000751871315 585238075 /nfs/dbraw/zinc/23/80/75/585238075.db2.gz MFLRXRVNRVZUCS-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccnc2Cl)C1 ZINC000752092993 585242432 /nfs/dbraw/zinc/24/24/32/585242432.db2.gz NTIIXDWSNGRWDU-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cccnc2Cl)C1 ZINC000752092993 585242433 /nfs/dbraw/zinc/24/24/33/585242433.db2.gz NTIIXDWSNGRWDU-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O=C(N[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC000752412098 585245604 /nfs/dbraw/zinc/24/56/04/585245604.db2.gz AZGFFDPISDPJQZ-SECBINFHSA-N 1 2 231.255 0.853 20 0 BCADLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)nc1 ZINC000753293796 585256450 /nfs/dbraw/zinc/25/64/50/585256450.db2.gz QHDGPRNVZDUNDB-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO CCON(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000753361287 585257386 /nfs/dbraw/zinc/25/73/86/585257386.db2.gz QOBOAXCMFRNLRW-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCc1[nH+]ccn1C ZINC000753473562 585259472 /nfs/dbraw/zinc/25/94/72/585259472.db2.gz AIVXXADRNZIZDN-UHFFFAOYSA-N 1 2 212.253 0.513 20 0 BCADLO CCON(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000753655208 585265526 /nfs/dbraw/zinc/26/55/26/585265526.db2.gz WZXLCMKARJQUFR-VIFPVBQESA-N 1 2 238.291 0.791 20 0 BCADLO CCON(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000753655207 585265699 /nfs/dbraw/zinc/26/56/99/585265699.db2.gz WZXLCMKARJQUFR-SECBINFHSA-N 1 2 238.291 0.791 20 0 BCADLO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000753711209 585266954 /nfs/dbraw/zinc/26/69/54/585266954.db2.gz ZXKJLVRAGYIOCU-SECBINFHSA-N 1 2 242.319 0.178 20 0 BCADLO CC(C)(C)C(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000753711209 585266955 /nfs/dbraw/zinc/26/69/55/585266955.db2.gz ZXKJLVRAGYIOCU-SECBINFHSA-N 1 2 242.319 0.178 20 0 BCADLO CCC(=O)CC[NH+]1CCN(C(=O)NC)CC1 ZINC000753748585 585268158 /nfs/dbraw/zinc/26/81/58/585268158.db2.gz QMNFTFAMFAKTIX-UHFFFAOYSA-N 1 2 227.308 0.313 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000753833662 585270660 /nfs/dbraw/zinc/27/06/60/585270660.db2.gz IJBHMWCFRXFPHW-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000753833662 585270661 /nfs/dbraw/zinc/27/06/61/585270661.db2.gz IJBHMWCFRXFPHW-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000753896584 585271778 /nfs/dbraw/zinc/27/17/78/585271778.db2.gz XLPOXNIWZSCWPU-PHIMTYICSA-N 1 2 225.288 0.803 20 0 BCADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000753896584 585271779 /nfs/dbraw/zinc/27/17/79/585271779.db2.gz XLPOXNIWZSCWPU-PHIMTYICSA-N 1 2 225.288 0.803 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C[C@H]1CCOC1 ZINC000753991464 585274469 /nfs/dbraw/zinc/27/44/69/585274469.db2.gz PZMLFCYLZMGDKI-SECBINFHSA-N 1 2 224.260 0.890 20 0 BCADLO CN(C)c1cc(C[N@@H+]2CCCNC(=O)C2)ccn1 ZINC000754028768 585275819 /nfs/dbraw/zinc/27/58/19/585275819.db2.gz AQYGXEKXUHEVAR-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO CN(C)c1cc(C[N@H+]2CCCNC(=O)C2)ccn1 ZINC000754028768 585275820 /nfs/dbraw/zinc/27/58/20/585275820.db2.gz AQYGXEKXUHEVAR-UHFFFAOYSA-N 1 2 248.330 0.470 20 0 BCADLO CCOC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754298856 585282101 /nfs/dbraw/zinc/28/21/01/585282101.db2.gz NWXBCZYDJJCQSS-MRXNPFEDSA-N 1 2 248.348 0.139 20 0 BCADLO C[C@H]1COCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000754382188 585283926 /nfs/dbraw/zinc/28/39/26/585283926.db2.gz VLVLWBXOINRALN-SECBINFHSA-N 1 2 239.275 0.581 20 0 BCADLO C[C@H]1COCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000754382188 585283927 /nfs/dbraw/zinc/28/39/27/585283927.db2.gz VLVLWBXOINRALN-SECBINFHSA-N 1 2 239.275 0.581 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1ccnn1C ZINC000754682832 585289283 /nfs/dbraw/zinc/28/92/83/585289283.db2.gz CXSBUCBFOYTADJ-UHFFFAOYSA-N 1 2 220.232 0.511 20 0 BCADLO CN(C)c1cc(Cn2ccnn2)cc[nH+]1 ZINC000754881321 585292034 /nfs/dbraw/zinc/29/20/34/585292034.db2.gz APKDUDYPPHXBDO-UHFFFAOYSA-N 1 2 203.249 0.787 20 0 BCADLO COC(=O)c1cn(C[N@H+]2CC=C(C)CC2)nn1 ZINC000755769847 585306789 /nfs/dbraw/zinc/30/67/89/585306789.db2.gz YBJCJJXKCSRUIQ-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO COC(=O)c1cn(C[N@@H+]2CC=C(C)CC2)nn1 ZINC000755769847 585306790 /nfs/dbraw/zinc/30/67/90/585306790.db2.gz YBJCJJXKCSRUIQ-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO Cc1nc([C@@H](C)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000839533335 585329071 /nfs/dbraw/zinc/32/90/71/585329071.db2.gz HOLLBSOPBPLDMK-RKDXNWHRSA-N 1 2 223.324 0.810 20 0 BCADLO Cc1nc([C@@H](C)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000839533335 585329072 /nfs/dbraw/zinc/32/90/72/585329072.db2.gz HOLLBSOPBPLDMK-RKDXNWHRSA-N 1 2 223.324 0.810 20 0 BCADLO CC[N@H+](CCS(N)(=O)=O)Cc1occc1C ZINC000839660418 585334357 /nfs/dbraw/zinc/33/43/57/585334357.db2.gz FJLQQZXQWFXHJM-UHFFFAOYSA-N 1 2 246.332 0.698 20 0 BCADLO CC[N@@H+](CCS(N)(=O)=O)Cc1occc1C ZINC000839660418 585334358 /nfs/dbraw/zinc/33/43/58/585334358.db2.gz FJLQQZXQWFXHJM-UHFFFAOYSA-N 1 2 246.332 0.698 20 0 BCADLO CCOC(C[N@@H+]1CCO[C@H]([C@H](C)O)C1)OCC ZINC000839670489 585336217 /nfs/dbraw/zinc/33/62/17/585336217.db2.gz GNRKENIMCPTMCV-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1CCO[C@H]([C@H](C)O)C1)OCC ZINC000839670489 585336218 /nfs/dbraw/zinc/33/62/18/585336218.db2.gz GNRKENIMCPTMCV-QWRGUYRKSA-N 1 2 247.335 0.467 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671267 585336384 /nfs/dbraw/zinc/33/63/84/585336384.db2.gz KWVCSFCKGLRXFI-BDMRALOESA-N 1 2 243.303 0.187 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839671267 585336385 /nfs/dbraw/zinc/33/63/85/585336385.db2.gz KWVCSFCKGLRXFI-BDMRALOESA-N 1 2 243.303 0.187 20 0 BCADLO CN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC000758319712 585353846 /nfs/dbraw/zinc/35/38/46/585353846.db2.gz UYAMUTXMHQNYPN-UHFFFAOYSA-N 1 2 219.244 0.399 20 0 BCADLO CC(C)[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758352842 585354382 /nfs/dbraw/zinc/35/43/82/585354382.db2.gz UFXPZKKHOYSOSP-SNVBAGLBSA-N 1 2 224.308 0.517 20 0 BCADLO CC(C)[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758352842 585354383 /nfs/dbraw/zinc/35/43/83/585354383.db2.gz UFXPZKKHOYSOSP-SNVBAGLBSA-N 1 2 224.308 0.517 20 0 BCADLO Cc1nc(COC(=O)[C@H]2CCCC[N@H+]2C)no1 ZINC000759529822 585374593 /nfs/dbraw/zinc/37/45/93/585374593.db2.gz JFXYPHGKQCKWBS-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO Cc1nc(COC(=O)[C@H]2CCCC[N@@H+]2C)no1 ZINC000759529822 585374594 /nfs/dbraw/zinc/37/45/94/585374594.db2.gz JFXYPHGKQCKWBS-SECBINFHSA-N 1 2 239.275 0.906 20 0 BCADLO C[C@@](CO)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000759532611 585374797 /nfs/dbraw/zinc/37/47/97/585374797.db2.gz DMSQANDSRRXWJB-LBPRGKRZSA-N 1 2 237.303 0.550 20 0 BCADLO COCc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000759738042 585379604 /nfs/dbraw/zinc/37/96/04/585379604.db2.gz XPNLWAZELOIAOA-DTORHVGOSA-N 1 2 241.291 0.528 20 0 BCADLO COCc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000759738042 585379605 /nfs/dbraw/zinc/37/96/05/585379605.db2.gz XPNLWAZELOIAOA-DTORHVGOSA-N 1 2 241.291 0.528 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCC1OCCCO1 ZINC000760443846 585392490 /nfs/dbraw/zinc/39/24/90/585392490.db2.gz UHKBUFNZAIWFPD-QMMMGPOBSA-N 1 2 232.280 0.673 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CCN1C ZINC000761074327 585405208 /nfs/dbraw/zinc/40/52/08/585405208.db2.gz BNZIFBAUCLZOPX-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CCN1C ZINC000761074327 585405209 /nfs/dbraw/zinc/40/52/09/585405209.db2.gz BNZIFBAUCLZOPX-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761071976 585405255 /nfs/dbraw/zinc/40/52/55/585405255.db2.gz CQQWUUSTRREZRG-WDEREUQCSA-N 1 2 227.352 0.537 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761071976 585405256 /nfs/dbraw/zinc/40/52/56/585405256.db2.gz CQQWUUSTRREZRG-WDEREUQCSA-N 1 2 227.352 0.537 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761069302 585405659 /nfs/dbraw/zinc/40/56/59/585405659.db2.gz JXHJTNWDSHDRGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000761069302 585405660 /nfs/dbraw/zinc/40/56/60/585405660.db2.gz JXHJTNWDSHDRGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761069302 585405661 /nfs/dbraw/zinc/40/56/61/585405661.db2.gz JXHJTNWDSHDRGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCCS(=O)(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000761069302 585405662 /nfs/dbraw/zinc/40/56/62/585405662.db2.gz JXHJTNWDSHDRGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761076251 585405929 /nfs/dbraw/zinc/40/59/29/585405929.db2.gz MEXLNIHIGBOWKQ-UWVGGRQHSA-N 1 2 225.336 0.289 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761076251 585405930 /nfs/dbraw/zinc/40/59/30/585405930.db2.gz MEXLNIHIGBOWKQ-UWVGGRQHSA-N 1 2 225.336 0.289 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761075653 585406153 /nfs/dbraw/zinc/40/61/53/585406153.db2.gz KIGWQJHDRNWHMQ-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761075653 585406154 /nfs/dbraw/zinc/40/61/54/585406154.db2.gz KIGWQJHDRNWHMQ-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086091 585407371 /nfs/dbraw/zinc/40/73/71/585407371.db2.gz BIPKEHBTYXTXKL-APPZFPTMSA-N 1 2 205.265 0.602 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086091 585407372 /nfs/dbraw/zinc/40/73/72/585407372.db2.gz BIPKEHBTYXTXKL-APPZFPTMSA-N 1 2 205.265 0.602 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761108257 585409705 /nfs/dbraw/zinc/40/97/05/585409705.db2.gz JPLSUKCPLAELMO-RNFRBKRXSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761108257 585409706 /nfs/dbraw/zinc/40/97/06/585409706.db2.gz JPLSUKCPLAELMO-RNFRBKRXSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761108258 585409987 /nfs/dbraw/zinc/40/99/87/585409987.db2.gz JPLSUKCPLAELMO-RQJHMYQMSA-N 1 2 205.204 0.889 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761108258 585409988 /nfs/dbraw/zinc/40/99/88/585409988.db2.gz JPLSUKCPLAELMO-RQJHMYQMSA-N 1 2 205.204 0.889 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)CN(C2CCC2)C1=O ZINC000761234135 585412635 /nfs/dbraw/zinc/41/26/35/585412635.db2.gz RPCQHPVKTFJQOC-UHFFFAOYSA-N 1 2 248.286 0.737 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)N[C@H](C2CC2)C1=O ZINC000761232339 585412741 /nfs/dbraw/zinc/41/27/41/585412741.db2.gz MZFMFUIMFMMLJD-SECBINFHSA-N 1 2 234.259 0.251 20 0 BCADLO Cn1cc(CO[NH+]=C(N)c2ccccc2)nn1 ZINC000761312520 585413430 /nfs/dbraw/zinc/41/34/30/585413430.db2.gz HGTGGVNSTOHHJC-UHFFFAOYSA-N 1 2 231.259 0.862 20 0 BCADLO Cc1nc(N2CCCNC(=O)C2)c(C)c(C)[nH+]1 ZINC000761890172 585422289 /nfs/dbraw/zinc/42/22/89/585422289.db2.gz YTMVSYLJIBKNFT-UHFFFAOYSA-N 1 2 234.303 0.728 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000762021515 585424555 /nfs/dbraw/zinc/42/45/55/585424555.db2.gz BZCLBKLZLLAAAV-JTQLQIEISA-N 1 2 245.344 0.615 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)c1ccco1 ZINC000762313047 585430546 /nfs/dbraw/zinc/43/05/46/585430546.db2.gz NPQHAGVWWTWOOI-VIFPVBQESA-N 1 2 235.243 0.326 20 0 BCADLO Cc1nnnn1Cc1cc[nH+]c(N(C)C)c1 ZINC000762477837 585432725 /nfs/dbraw/zinc/43/27/25/585432725.db2.gz DWFKOEFKJCLNJZ-UHFFFAOYSA-N 1 2 218.264 0.491 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=O ZINC000763335015 585446716 /nfs/dbraw/zinc/44/67/16/585446716.db2.gz XQYHMOSYMMOIMY-SNVBAGLBSA-N 1 2 222.292 0.271 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=O ZINC000763335015 585446717 /nfs/dbraw/zinc/44/67/17/585446717.db2.gz XQYHMOSYMMOIMY-SNVBAGLBSA-N 1 2 222.292 0.271 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763653877 585451496 /nfs/dbraw/zinc/45/14/96/585451496.db2.gz ZLEHDSWXWDLAID-MRVPVSSYSA-N 1 2 227.260 0.187 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763653877 585451497 /nfs/dbraw/zinc/45/14/97/585451497.db2.gz ZLEHDSWXWDLAID-MRVPVSSYSA-N 1 2 227.260 0.187 20 0 BCADLO C[NH+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000763898528 585455787 /nfs/dbraw/zinc/45/57/87/585455787.db2.gz BNGISSKZKWKWDQ-YFKPBYRVSA-N 1 2 216.178 0.565 20 0 BCADLO C[NH+](C)CCNC(=O)C(F)C(F)(F)F ZINC000763898528 585455788 /nfs/dbraw/zinc/45/57/88/585455788.db2.gz BNGISSKZKWKWDQ-YFKPBYRVSA-N 1 2 216.178 0.565 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)C[C@H](C)C1)OC ZINC000763877492 585456000 /nfs/dbraw/zinc/45/60/00/585456000.db2.gz JMASWBKEJOEQIV-PSLIRLAXSA-N 1 2 235.349 0.306 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)C[C@H](C)C1)OC ZINC000763877492 585456001 /nfs/dbraw/zinc/45/60/01/585456001.db2.gz JMASWBKEJOEQIV-PSLIRLAXSA-N 1 2 235.349 0.306 20 0 BCADLO C[NH+](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC000763898514 585456634 /nfs/dbraw/zinc/45/66/34/585456634.db2.gz BFSYWDAPGNRESQ-LURJTMIESA-N 1 2 230.205 0.955 20 0 BCADLO C[NH+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000763898514 585456635 /nfs/dbraw/zinc/45/66/35/585456635.db2.gz BFSYWDAPGNRESQ-LURJTMIESA-N 1 2 230.205 0.955 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@H]1COC(=O)O1 ZINC000763983060 585458172 /nfs/dbraw/zinc/45/81/72/585458172.db2.gz SSNYLQPROBQCID-IUCAKERBSA-N 1 2 243.259 0.549 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@H]1COC(=O)O1 ZINC000763983060 585458173 /nfs/dbraw/zinc/45/81/73/585458173.db2.gz SSNYLQPROBQCID-IUCAKERBSA-N 1 2 243.259 0.549 20 0 BCADLO Cn1ccc(C(=O)OCC[NH+]2CCOCC2)c1 ZINC000764112063 585459980 /nfs/dbraw/zinc/45/99/80/585459980.db2.gz QXYTXFUWHIMVKX-UHFFFAOYSA-N 1 2 238.287 0.514 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H](O)C(C)(C)C ZINC000764993335 585478581 /nfs/dbraw/zinc/47/85/81/585478581.db2.gz POWOPUXEYZTBJA-SECBINFHSA-N 1 2 225.292 0.443 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H](O)C(C)(C)C ZINC000764993339 585478598 /nfs/dbraw/zinc/47/85/98/585478598.db2.gz POWOPUXEYZTBJA-VIFPVBQESA-N 1 2 225.292 0.443 20 0 BCADLO C/C=C/C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765118010 585481559 /nfs/dbraw/zinc/48/15/59/585481559.db2.gz MPADYJYMVVCYLI-NSCUHMNNSA-N 1 2 224.304 0.544 20 0 BCADLO CCONC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000767163698 585515011 /nfs/dbraw/zinc/51/50/11/585515011.db2.gz PWDUUPUWYNZHIL-SECBINFHSA-N 1 2 216.281 0.022 20 0 BCADLO CC(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767361166 585517623 /nfs/dbraw/zinc/51/76/23/585517623.db2.gz KKFCJRACPFEBQR-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000767371538 585518126 /nfs/dbraw/zinc/51/81/26/585518126.db2.gz QDDXKSMUTMIDIS-NSHDSACASA-N 1 2 241.287 0.229 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000767371538 585518127 /nfs/dbraw/zinc/51/81/27/585518127.db2.gz QDDXKSMUTMIDIS-NSHDSACASA-N 1 2 241.287 0.229 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767396488 585519159 /nfs/dbraw/zinc/51/91/59/585519159.db2.gz RMTYSIKBSFEZAO-JTQLQIEISA-N 1 2 224.304 0.566 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767396488 585519160 /nfs/dbraw/zinc/51/91/60/585519160.db2.gz RMTYSIKBSFEZAO-JTQLQIEISA-N 1 2 224.304 0.566 20 0 BCADLO CN(C)c1cc(COC(=O)C(C)(C)O)cc[nH+]1 ZINC000767522709 585522014 /nfs/dbraw/zinc/52/20/14/585522014.db2.gz IEXPZXCWIGWBTG-UHFFFAOYSA-N 1 2 238.287 0.962 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C)n(C)n1 ZINC000767826490 585526646 /nfs/dbraw/zinc/52/66/46/585526646.db2.gz DYMXNANKKMGMJK-MRVPVSSYSA-N 1 2 226.280 0.762 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC[S@@](C)=O ZINC000767914761 585528003 /nfs/dbraw/zinc/52/80/03/585528003.db2.gz BSPFENDAHNYMOR-MRXNPFEDSA-N 1 2 241.316 0.312 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)F ZINC000768397823 585537826 /nfs/dbraw/zinc/53/78/26/585537826.db2.gz KIKSWTPLVDIZAF-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)F ZINC000768397823 585537827 /nfs/dbraw/zinc/53/78/27/585537827.db2.gz KIKSWTPLVDIZAF-SECBINFHSA-N 1 2 232.299 0.571 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769025210 585547748 /nfs/dbraw/zinc/54/77/48/585547748.db2.gz JKYDHFGPVLKOPC-CMPLNLGQSA-N 1 2 248.330 0.710 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)[nH]2)[C@@H](C)C[N@@H+]1C ZINC000769147127 585550080 /nfs/dbraw/zinc/55/00/80/585550080.db2.gz UXYUFXRFGNOCRI-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)[nH]2)[C@@H](C)C[N@H+]1C ZINC000769147127 585550081 /nfs/dbraw/zinc/55/00/81/585550081.db2.gz UXYUFXRFGNOCRI-ZJUUUORDSA-N 1 2 249.314 0.992 20 0 BCADLO c1n[nH]c2c1CC[N@@H+](Cc1cncnc1)C2 ZINC000769468951 585557808 /nfs/dbraw/zinc/55/78/08/585557808.db2.gz QRURCHVRGBDZEF-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO c1n[nH]c2c1CC[N@H+](Cc1cncnc1)C2 ZINC000769468951 585557809 /nfs/dbraw/zinc/55/78/09/585557809.db2.gz QRURCHVRGBDZEF-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO CC(C)NC(=S)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769792577 585563471 /nfs/dbraw/zinc/56/34/71/585563471.db2.gz KIHOKICVBVAEAQ-NXEZZACHSA-N 1 2 245.392 0.578 20 0 BCADLO CC(C)NC(=S)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769792577 585563472 /nfs/dbraw/zinc/56/34/72/585563472.db2.gz KIHOKICVBVAEAQ-NXEZZACHSA-N 1 2 245.392 0.578 20 0 BCADLO CCCNC(=S)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769793271 585563518 /nfs/dbraw/zinc/56/35/18/585563518.db2.gz LUYMQVSYNSETMU-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CCCNC(=S)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769793271 585563519 /nfs/dbraw/zinc/56/35/19/585563519.db2.gz LUYMQVSYNSETMU-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769791111 585563637 /nfs/dbraw/zinc/56/36/37/585563637.db2.gz FTCISXQHEQKWFD-BDAKNGLRSA-N 1 2 231.365 0.190 20 0 BCADLO CCNC(=S)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791111 585563638 /nfs/dbraw/zinc/56/36/38/585563638.db2.gz FTCISXQHEQKWFD-BDAKNGLRSA-N 1 2 231.365 0.190 20 0 BCADLO O=C(O[C@H]1CCNC1=O)c1ccc2[nH+]ccn2c1 ZINC000770011816 585569221 /nfs/dbraw/zinc/56/92/21/585569221.db2.gz ACASXLWNGYYVDN-VIFPVBQESA-N 1 2 245.238 0.380 20 0 BCADLO O=C1OCC[C@@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000770389349 585573280 /nfs/dbraw/zinc/57/32/80/585573280.db2.gz HFJISNHSBNPNFO-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000770389349 585573281 /nfs/dbraw/zinc/57/32/81/585573281.db2.gz HFJISNHSBNPNFO-SNVBAGLBSA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCC[C@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000770389348 585573358 /nfs/dbraw/zinc/57/33/58/585573358.db2.gz HFJISNHSBNPNFO-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCC[C@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000770389348 585573359 /nfs/dbraw/zinc/57/33/59/585573359.db2.gz HFJISNHSBNPNFO-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO C[N@H+](CCc1cnccn1)CN1CCCC1=O ZINC000770663289 585579255 /nfs/dbraw/zinc/57/92/55/585579255.db2.gz KLYHMKUQOAHRMF-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO C[N@@H+](CCc1cnccn1)CN1CCCC1=O ZINC000770663289 585579256 /nfs/dbraw/zinc/57/92/56/585579256.db2.gz KLYHMKUQOAHRMF-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000771463670 585594887 /nfs/dbraw/zinc/59/48/87/585594887.db2.gz XXCGUEZTURKUQS-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000771463670 585594888 /nfs/dbraw/zinc/59/48/88/585594888.db2.gz XXCGUEZTURKUQS-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000771463670 585594889 /nfs/dbraw/zinc/59/48/89/585594889.db2.gz XXCGUEZTURKUQS-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771463670 585594890 /nfs/dbraw/zinc/59/48/90/585594890.db2.gz XXCGUEZTURKUQS-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO COCc1nc(C[NH2+][C@H](CCO)C2CC2)no1 ZINC000771799550 585600324 /nfs/dbraw/zinc/60/03/24/585600324.db2.gz BALVLIHWIXEDAJ-SECBINFHSA-N 1 2 241.291 0.467 20 0 BCADLO Cn1cc(/C=C/C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771893741 585604131 /nfs/dbraw/zinc/60/41/31/585604131.db2.gz PYKYLPOQIMWMMN-NSCUHMNNSA-N 1 2 246.270 0.873 20 0 BCADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)n(C)n1 ZINC000771927440 585604544 /nfs/dbraw/zinc/60/45/44/585604544.db2.gz SDHHIQKKYJXBAH-UHFFFAOYSA-N 1 2 234.259 0.782 20 0 BCADLO CC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772060207 585607838 /nfs/dbraw/zinc/60/78/38/585607838.db2.gz IZINPSCIWSIOPN-SECBINFHSA-N 1 2 231.317 0.556 20 0 BCADLO CC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772060207 585607839 /nfs/dbraw/zinc/60/78/39/585607839.db2.gz IZINPSCIWSIOPN-SECBINFHSA-N 1 2 231.317 0.556 20 0 BCADLO Cn1nccc1CCC(=O)OCCn1cc[nH+]c1 ZINC000772763092 585623103 /nfs/dbraw/zinc/62/31/03/585623103.db2.gz GFYDCEICMQJCQL-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC[C@H](C)O)C1 ZINC000805472176 585624441 /nfs/dbraw/zinc/62/44/41/585624441.db2.gz DYXKSNAVWRPOSR-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC[C@H](C)O)C1 ZINC000805472176 585624442 /nfs/dbraw/zinc/62/44/42/585624442.db2.gz DYXKSNAVWRPOSR-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC[C@@H](C)O)C1 ZINC000805472174 585624451 /nfs/dbraw/zinc/62/44/51/585624451.db2.gz DYXKSNAVWRPOSR-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCC[C@@H](C)O)C1 ZINC000805472174 585624452 /nfs/dbraw/zinc/62/44/52/585624452.db2.gz DYXKSNAVWRPOSR-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC2(O)CC2)C1 ZINC000805478739 585634220 /nfs/dbraw/zinc/63/42/20/585634220.db2.gz YGRKYSZFKKLNOK-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCC2(O)CC2)C1 ZINC000805478739 585634221 /nfs/dbraw/zinc/63/42/21/585634221.db2.gz YGRKYSZFKKLNOK-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCF)C1 ZINC000805479900 585634791 /nfs/dbraw/zinc/63/47/91/585634791.db2.gz WLOGALTWGASRKN-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCCF)C1 ZINC000805479900 585634792 /nfs/dbraw/zinc/63/47/92/585634792.db2.gz WLOGALTWGASRKN-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO CC[C@H](C(=O)N(C)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773753721 585643159 /nfs/dbraw/zinc/64/31/59/585643159.db2.gz WXSSYQHLWDXYDG-WDEREUQCSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@H](C(=O)N(C)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000773753721 585643160 /nfs/dbraw/zinc/64/31/60/585643160.db2.gz WXSSYQHLWDXYDG-WDEREUQCSA-N 1 2 244.335 0.896 20 0 BCADLO CC(C)C1(O)C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000773893715 585645750 /nfs/dbraw/zinc/64/57/50/585645750.db2.gz PFZVMKJGWQTNKM-JTQLQIEISA-N 1 2 226.320 0.310 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NN1CCCCC1 ZINC000774079563 585649600 /nfs/dbraw/zinc/64/96/00/585649600.db2.gz CUMDBPHHNUSYAO-UHFFFAOYSA-N 1 2 222.292 0.859 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000774566368 585661162 /nfs/dbraw/zinc/66/11/62/585661162.db2.gz NPSXIBNMLIUSNH-UHFFFAOYSA-N 1 2 212.249 0.731 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000774566368 585661163 /nfs/dbraw/zinc/66/11/63/585661163.db2.gz NPSXIBNMLIUSNH-UHFFFAOYSA-N 1 2 212.249 0.731 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cn1ccsc1=O ZINC000774661132 585662764 /nfs/dbraw/zinc/66/27/64/585662764.db2.gz VELAVEOTDWCIIN-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cn1ccsc1=O ZINC000774661132 585662765 /nfs/dbraw/zinc/66/27/65/585662765.db2.gz VELAVEOTDWCIIN-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO Cc1nonc1C[N@H+]1CCOCC[C@H]1C ZINC000775567411 585679034 /nfs/dbraw/zinc/67/90/34/585679034.db2.gz XWPHMYDUZJSPBJ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@@H+]1CCOCC[C@H]1C ZINC000775567411 585679035 /nfs/dbraw/zinc/67/90/35/585679035.db2.gz XWPHMYDUZJSPBJ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC1OCCO1 ZINC000775806559 585685513 /nfs/dbraw/zinc/68/55/13/585685513.db2.gz KGOVXOQGAARQHL-NXEZZACHSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC1OCCO1 ZINC000775806559 585685514 /nfs/dbraw/zinc/68/55/14/585685514.db2.gz KGOVXOQGAARQHL-NXEZZACHSA-N 1 2 243.303 0.633 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2C[C@H]2C)C1 ZINC000776306436 585695627 /nfs/dbraw/zinc/69/56/27/585695627.db2.gz LKAJUYYIIBEVNJ-MWLCHTKSSA-N 1 2 227.304 0.906 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000776597055 585702100 /nfs/dbraw/zinc/70/21/00/585702100.db2.gz FEFSANFIIYIPPY-VHSXEESVSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000776597055 585702101 /nfs/dbraw/zinc/70/21/01/585702101.db2.gz FEFSANFIIYIPPY-VHSXEESVSA-N 1 2 215.293 0.498 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776774073 585704989 /nfs/dbraw/zinc/70/49/89/585704989.db2.gz YVMIEXINONNDHV-JTQLQIEISA-N 1 2 208.265 0.346 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776774073 585704990 /nfs/dbraw/zinc/70/49/90/585704990.db2.gz YVMIEXINONNDHV-JTQLQIEISA-N 1 2 208.265 0.346 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000776764877 585705043 /nfs/dbraw/zinc/70/50/43/585705043.db2.gz SDCIRZRAOQBPMT-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000776764877 585705044 /nfs/dbraw/zinc/70/50/44/585705044.db2.gz SDCIRZRAOQBPMT-WDEREUQCSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@@](O)(C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000805581860 585709872 /nfs/dbraw/zinc/70/98/72/585709872.db2.gz AGFCBIOQLDKBLY-NSHDSACASA-N 1 2 224.260 0.587 20 0 BCADLO CCONC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777412158 585711580 /nfs/dbraw/zinc/71/15/80/585711580.db2.gz PEKJQSUHBCDTPD-QMMMGPOBSA-N 1 2 224.264 0.449 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000777708762 585718700 /nfs/dbraw/zinc/71/87/00/585718700.db2.gz LESANLMTPIJJPH-UHFFFAOYSA-N 1 2 229.276 0.198 20 0 BCADLO C(C1OCCO1)[N@H+]1CCCC2(C1)OCCO2 ZINC000777708762 585718701 /nfs/dbraw/zinc/71/87/01/585718701.db2.gz LESANLMTPIJJPH-UHFFFAOYSA-N 1 2 229.276 0.198 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC2(CCC2)C1 ZINC000777716474 585718862 /nfs/dbraw/zinc/71/88/62/585718862.db2.gz JWUHGANFNYSAMM-UHFFFAOYSA-N 1 2 213.277 0.614 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC2(CCC2)C1 ZINC000777716474 585718863 /nfs/dbraw/zinc/71/88/63/585718863.db2.gz JWUHGANFNYSAMM-UHFFFAOYSA-N 1 2 213.277 0.614 20 0 BCADLO C[C@@H]1CC[N@H+](CCS(C)(=O)=O)C[C@@H]1F ZINC000778237540 585728966 /nfs/dbraw/zinc/72/89/66/585728966.db2.gz QHWZNOQQWHHCIE-BDAKNGLRSA-N 1 2 223.313 0.711 20 0 BCADLO C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1F ZINC000778237540 585728967 /nfs/dbraw/zinc/72/89/67/585728967.db2.gz QHWZNOQQWHHCIE-BDAKNGLRSA-N 1 2 223.313 0.711 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@H]1CCCN(C)C1=O ZINC000778592386 585737932 /nfs/dbraw/zinc/73/79/32/585737932.db2.gz LUQFEERBZCICJX-VIFPVBQESA-N 1 2 243.307 0.531 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000779074210 585744704 /nfs/dbraw/zinc/74/47/04/585744704.db2.gz OIKLKSHZQWGRMU-PRHODGIISA-N 1 2 249.318 0.836 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779097064 585745111 /nfs/dbraw/zinc/74/51/11/585745111.db2.gz TZTVBDWXFOCKCF-QMMMGPOBSA-N 1 2 247.258 0.319 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)nc2)C1 ZINC000779165128 585746403 /nfs/dbraw/zinc/74/64/03/585746403.db2.gz XWRUYHNECKCJPW-AOOOYVTPSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)nc2)C1 ZINC000779165128 585746404 /nfs/dbraw/zinc/74/64/04/585746404.db2.gz XWRUYHNECKCJPW-AOOOYVTPSA-N 1 2 226.251 0.148 20 0 BCADLO Fc1ccc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000779157668 585746426 /nfs/dbraw/zinc/74/64/26/585746426.db2.gz QHTJBSFVYIXUHC-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1ccc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000779157668 585746427 /nfs/dbraw/zinc/74/64/27/585746427.db2.gz QHTJBSFVYIXUHC-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000779169235 585746580 /nfs/dbraw/zinc/74/65/80/585746580.db2.gz XOFDASKSSAECKU-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000779169235 585746581 /nfs/dbraw/zinc/74/65/81/585746581.db2.gz XOFDASKSSAECKU-VIFPVBQESA-N 1 2 238.266 0.463 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cncnc1 ZINC000779198749 585746996 /nfs/dbraw/zinc/74/69/96/585746996.db2.gz MDUWOJBFTPJRSO-LBPRGKRZSA-N 1 2 233.271 0.758 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cncnc1 ZINC000779198749 585746997 /nfs/dbraw/zinc/74/69/97/585746997.db2.gz MDUWOJBFTPJRSO-LBPRGKRZSA-N 1 2 233.271 0.758 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779216256 585747402 /nfs/dbraw/zinc/74/74/02/585747402.db2.gz QOHPXQODERBMNP-VIFPVBQESA-N 1 2 249.314 0.929 20 0 BCADLO NC(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000779428508 585755035 /nfs/dbraw/zinc/75/50/35/585755035.db2.gz GCJAKILAZDSMQF-UHFFFAOYSA-N 1 2 247.302 0.555 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000779813805 585766575 /nfs/dbraw/zinc/76/65/75/585766575.db2.gz OAXVWYXBIBXOCH-NSHDSACASA-N 1 2 247.298 0.969 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000779814230 585766778 /nfs/dbraw/zinc/76/67/78/585766778.db2.gz XRAWVHHVANMOFU-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000779814230 585766779 /nfs/dbraw/zinc/76/67/79/585766779.db2.gz XRAWVHHVANMOFU-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780120745 585772643 /nfs/dbraw/zinc/77/26/43/585772643.db2.gz HKRFXCOCTARNQN-AXFHLTTASA-N 1 2 236.271 0.851 20 0 BCADLO Cc1ccnc(CO[NH+]=C(N)CCO)n1 ZINC000780127588 585772798 /nfs/dbraw/zinc/77/27/98/585772798.db2.gz HMJGWIUZPPXFDM-UHFFFAOYSA-N 1 2 210.237 0.166 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC1OCCO1 ZINC000781347710 585794844 /nfs/dbraw/zinc/79/48/44/585794844.db2.gz TZDUKMUCDWRXBQ-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC1OCCO1 ZINC000781347710 585794845 /nfs/dbraw/zinc/79/48/45/585794845.db2.gz TZDUKMUCDWRXBQ-JTQLQIEISA-N 1 2 243.303 0.777 20 0 BCADLO COC(C[N@@H+]1CCc2c[nH]nc2C1)OC ZINC000781900747 585805239 /nfs/dbraw/zinc/80/52/39/585805239.db2.gz NNKQFLGLAGYSEF-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO COC(C[N@H+]1CCc2c[nH]nc2C1)OC ZINC000781900747 585805240 /nfs/dbraw/zinc/80/52/40/585805240.db2.gz NNKQFLGLAGYSEF-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO COC(C[N@@H+]1CCc2cn[nH]c2C1)OC ZINC000781900747 585805241 /nfs/dbraw/zinc/80/52/41/585805241.db2.gz NNKQFLGLAGYSEF-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO COC(C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000781900747 585805242 /nfs/dbraw/zinc/80/52/42/585805242.db2.gz NNKQFLGLAGYSEF-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cc[n+]([O-])cc1 ZINC000781925552 585805316 /nfs/dbraw/zinc/80/53/16/585805316.db2.gz WRLCOBWNVPNIMA-UHFFFAOYSA-N 1 2 247.254 0.764 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)C1=COCCO1 ZINC000781968260 585805963 /nfs/dbraw/zinc/80/59/63/585805963.db2.gz BBXFWLQVBBNGLU-UHFFFAOYSA-N 1 2 238.243 0.705 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000782371323 585816242 /nfs/dbraw/zinc/81/62/42/585816242.db2.gz FTJNUBJYXUVORL-JTQLQIEISA-N 1 2 224.260 0.995 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnoc1C ZINC000782477783 585818811 /nfs/dbraw/zinc/81/88/11/585818811.db2.gz XUJGEDZOUFLFKX-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnoc1C ZINC000782477783 585818812 /nfs/dbraw/zinc/81/88/12/585818812.db2.gz XUJGEDZOUFLFKX-UHFFFAOYSA-N 1 2 225.292 0.893 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1ccncc1 ZINC000782579149 585820367 /nfs/dbraw/zinc/82/03/67/585820367.db2.gz FQLKUZPROWGEIM-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1ccncc1 ZINC000782579149 585820368 /nfs/dbraw/zinc/82/03/68/585820368.db2.gz FQLKUZPROWGEIM-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000782585767 585820968 /nfs/dbraw/zinc/82/09/68/585820968.db2.gz POJFWOGORVSELS-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccccc1 ZINC000782585767 585820969 /nfs/dbraw/zinc/82/09/69/585820969.db2.gz POJFWOGORVSELS-WCQYABFASA-N 1 2 248.326 0.883 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609915 585821961 /nfs/dbraw/zinc/82/19/61/585821961.db2.gz SWMZDYZBJSORSU-MNOVXSKESA-N 1 2 247.360 0.125 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609915 585821962 /nfs/dbraw/zinc/82/19/62/585821962.db2.gz SWMZDYZBJSORSU-MNOVXSKESA-N 1 2 247.360 0.125 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782618367 585822641 /nfs/dbraw/zinc/82/26/41/585822641.db2.gz ASYIWTJSXMTOGM-DCAQKATOSA-N 1 2 249.376 0.919 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782618367 585822642 /nfs/dbraw/zinc/82/26/42/585822642.db2.gz ASYIWTJSXMTOGM-DCAQKATOSA-N 1 2 249.376 0.919 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782634698 585823627 /nfs/dbraw/zinc/82/36/27/585823627.db2.gz SINJNUGSTRBQTO-PWSUYJOCSA-N 1 2 227.304 0.644 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782634698 585823628 /nfs/dbraw/zinc/82/36/28/585823628.db2.gz SINJNUGSTRBQTO-PWSUYJOCSA-N 1 2 227.304 0.644 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H]3C[C@]3(CO)C2)cc[nH+]1 ZINC000782802439 585824646 /nfs/dbraw/zinc/82/46/46/585824646.db2.gz PWIMXSVGDCCQIL-GXFFZTMASA-N 1 2 247.298 0.658 20 0 BCADLO CC(C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000783342679 585833941 /nfs/dbraw/zinc/83/39/41/585833941.db2.gz CSLYXVOOMYILRV-UHFFFAOYSA-N 1 2 212.249 0.587 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)[C@H](C)[C@@H](C)O1 ZINC000783540613 585836281 /nfs/dbraw/zinc/83/62/81/585836281.db2.gz FGVJZEWQTQZEQR-OPRDCNLKSA-N 1 2 210.281 0.733 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)[C@H](C)[C@@H](C)O1 ZINC000783540613 585836282 /nfs/dbraw/zinc/83/62/82/585836282.db2.gz FGVJZEWQTQZEQR-OPRDCNLKSA-N 1 2 210.281 0.733 20 0 BCADLO CC[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000783651714 585839270 /nfs/dbraw/zinc/83/92/70/585839270.db2.gz LAVRFWSVYRXFGH-ABAIWWIYSA-N 1 2 232.393 0.781 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccoc1 ZINC000783729528 585840310 /nfs/dbraw/zinc/84/03/10/585840310.db2.gz OFZPXMFDMZAIQE-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccoc1 ZINC000783729528 585840311 /nfs/dbraw/zinc/84/03/11/585840311.db2.gz OFZPXMFDMZAIQE-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccco1 ZINC000783727465 585841011 /nfs/dbraw/zinc/84/10/11/585841011.db2.gz CNSYJLASEOOKBJ-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccco1 ZINC000783727465 585841012 /nfs/dbraw/zinc/84/10/12/585841012.db2.gz CNSYJLASEOOKBJ-VIFPVBQESA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccn(C)c1 ZINC000783733400 585841058 /nfs/dbraw/zinc/84/10/58/585841058.db2.gz LDEVMGXRMIUEKQ-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccn(C)c1 ZINC000783733400 585841059 /nfs/dbraw/zinc/84/10/59/585841059.db2.gz LDEVMGXRMIUEKQ-SNVBAGLBSA-N 1 2 221.304 0.688 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732497 585841293 /nfs/dbraw/zinc/84/12/93/585841293.db2.gz FXRXAPPTZQKOEP-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732497 585841294 /nfs/dbraw/zinc/84/12/94/585841294.db2.gz FXRXAPPTZQKOEP-VIFPVBQESA-N 1 2 236.319 0.391 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCCn1cc[nH+]c1 ZINC000784021702 585847205 /nfs/dbraw/zinc/84/72/05/585847205.db2.gz VBYPTKRGIWZAAD-SECBINFHSA-N 1 2 213.256 0.993 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1CO ZINC000784243048 585853198 /nfs/dbraw/zinc/85/31/98/585853198.db2.gz IVARNTIGNJMJDN-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCSC[C@H]1CO ZINC000784243048 585853199 /nfs/dbraw/zinc/85/31/99/585853199.db2.gz IVARNTIGNJMJDN-NXEZZACHSA-N 1 2 247.360 0.738 20 0 BCADLO CC(C)[C@H](F)C(=O)NCC[NH+]1CCOCC1 ZINC000784280915 585854423 /nfs/dbraw/zinc/85/44/23/585854423.db2.gz IKZXDPYHRDBFMC-JTQLQIEISA-N 1 2 232.299 0.429 20 0 BCADLO CC(C)[C@H](F)C(=O)OCC[NH+]1CCOCC1 ZINC000784303794 585855293 /nfs/dbraw/zinc/85/52/93/585855293.db2.gz HNEBAEUFBBZZEI-JTQLQIEISA-N 1 2 233.283 0.856 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000784410147 585858711 /nfs/dbraw/zinc/85/87/11/585858711.db2.gz CVGOEUIEAYUHMI-LLVKDONJSA-N 1 2 246.326 0.771 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000784535351 585862711 /nfs/dbraw/zinc/86/27/11/585862711.db2.gz VCCACVIHGXSFBA-MNOVXSKESA-N 1 2 246.326 0.506 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000784535351 585862712 /nfs/dbraw/zinc/86/27/12/585862712.db2.gz VCCACVIHGXSFBA-MNOVXSKESA-N 1 2 246.326 0.506 20 0 BCADLO Cc1cncc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000785448076 585873971 /nfs/dbraw/zinc/87/39/71/585873971.db2.gz GJAIZGODBOVPNC-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1cncc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000785448076 585873972 /nfs/dbraw/zinc/87/39/72/585873972.db2.gz GJAIZGODBOVPNC-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1COC1 ZINC000785760227 585879912 /nfs/dbraw/zinc/87/99/12/585879912.db2.gz DIWNCLZWVYMXJE-PHIMTYICSA-N 1 2 241.287 0.039 20 0 BCADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1COC1 ZINC000785760227 585879913 /nfs/dbraw/zinc/87/99/13/585879913.db2.gz DIWNCLZWVYMXJE-PHIMTYICSA-N 1 2 241.287 0.039 20 0 BCADLO COCC[N@H+](Cc1nonc1C)[C@@H]1CCOC1 ZINC000786193105 585888485 /nfs/dbraw/zinc/88/84/85/585888485.db2.gz XIKDGWRFUKDFOZ-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCC[N@@H+](Cc1nonc1C)[C@@H]1CCOC1 ZINC000786193105 585888486 /nfs/dbraw/zinc/88/84/86/585888486.db2.gz XIKDGWRFUKDFOZ-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000787206110 585903398 /nfs/dbraw/zinc/90/33/98/585903398.db2.gz WYPGJOCSAOKQAF-WDEREUQCSA-N 1 2 249.314 0.333 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000787229567 585903547 /nfs/dbraw/zinc/90/35/47/585903547.db2.gz RFINXPUJXYFAPS-HBNTYKKESA-N 1 2 244.310 0.871 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000787229567 585903548 /nfs/dbraw/zinc/90/35/48/585903548.db2.gz RFINXPUJXYFAPS-HBNTYKKESA-N 1 2 244.310 0.871 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOCC(F)F ZINC000787311455 585906491 /nfs/dbraw/zinc/90/64/91/585906491.db2.gz MMRCQTJRMZQZRZ-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOCC(F)F ZINC000787311455 585906492 /nfs/dbraw/zinc/90/64/92/585906492.db2.gz MMRCQTJRMZQZRZ-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H](NC(=O)C(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000787325130 585906983 /nfs/dbraw/zinc/90/69/83/585906983.db2.gz WPRSIUNLNHCBQM-HTQZYQBOSA-N 1 2 236.262 0.477 20 0 BCADLO C[S@](=O)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787333941 585907323 /nfs/dbraw/zinc/90/73/23/585907323.db2.gz MVMZOVNBELEUSW-HWPZZCPQSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787333941 585907324 /nfs/dbraw/zinc/90/73/24/585907324.db2.gz MVMZOVNBELEUSW-HWPZZCPQSA-N 1 2 244.360 0.108 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787346941 585907494 /nfs/dbraw/zinc/90/74/94/585907494.db2.gz QYOBOXMRBRVVGO-UHFFFAOYSA-N 1 2 236.262 0.432 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000787389663 585908504 /nfs/dbraw/zinc/90/85/04/585908504.db2.gz AQCFYVHDAIJRSL-SECBINFHSA-N 1 2 244.360 0.471 20 0 BCADLO CC(=O)CSCC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000787389663 585908505 /nfs/dbraw/zinc/90/85/05/585908505.db2.gz AQCFYVHDAIJRSL-SECBINFHSA-N 1 2 244.360 0.471 20 0 BCADLO Cn1nccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787605313 585912797 /nfs/dbraw/zinc/91/27/97/585912797.db2.gz APYGJCHXXDHSFI-UHFFFAOYSA-N 1 2 232.243 0.754 20 0 BCADLO C[N@H+]1CCN(CC[S@](C)=O)C(C)(C)C1 ZINC000787731729 585914960 /nfs/dbraw/zinc/91/49/60/585914960.db2.gz UXZGSCWXGCWOKM-AWEZNQCLSA-N 1 2 218.366 0.391 20 0 BCADLO C[N@@H+]1CCN(CC[S@](C)=O)C(C)(C)C1 ZINC000787731729 585914959 /nfs/dbraw/zinc/91/49/59/585914959.db2.gz UXZGSCWXGCWOKM-AWEZNQCLSA-N 1 2 218.366 0.391 20 0 BCADLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCOCC2)C1(F)F ZINC000787770407 585915725 /nfs/dbraw/zinc/91/57/25/585915725.db2.gz PZIRVQVEQGFDEU-SFYZADRCSA-N 1 2 235.230 0.373 20 0 BCADLO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000788292315 585921123 /nfs/dbraw/zinc/92/11/23/585921123.db2.gz ZFXMNTJRZZLJGP-NKWVEPMBSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000788292315 585921124 /nfs/dbraw/zinc/92/11/24/585921124.db2.gz ZFXMNTJRZZLJGP-NKWVEPMBSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292315 585921125 /nfs/dbraw/zinc/92/11/25/585921125.db2.gz ZFXMNTJRZZLJGP-NKWVEPMBSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292315 585921126 /nfs/dbraw/zinc/92/11/26/585921126.db2.gz ZFXMNTJRZZLJGP-NKWVEPMBSA-N 1 2 242.216 0.955 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000788539668 585926534 /nfs/dbraw/zinc/92/65/34/585926534.db2.gz SMGSSZUZKYHASL-VHSXEESVSA-N 1 2 245.282 0.930 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000788539660 585926642 /nfs/dbraw/zinc/92/66/42/585926642.db2.gz SMGSSZUZKYHASL-NXEZZACHSA-N 1 2 245.282 0.930 20 0 BCADLO CNC(=O)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000789095745 585935144 /nfs/dbraw/zinc/93/51/44/585935144.db2.gz LUFIOIJJKHPCDD-UHFFFAOYSA-N 1 2 236.271 0.878 20 0 BCADLO Cc1ccnc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789608765 585946242 /nfs/dbraw/zinc/94/62/42/585946242.db2.gz LPRICAJYAASXSQ-VIFPVBQESA-N 1 2 236.275 0.962 20 0 BCADLO CC(C)OC[C@@H](O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789607836 585946306 /nfs/dbraw/zinc/94/63/06/585946306.db2.gz IGVOFSJZKOLOJK-ZJUUUORDSA-N 1 2 246.307 0.450 20 0 BCADLO Cc1ccnc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789608763 585946389 /nfs/dbraw/zinc/94/63/89/585946389.db2.gz LPRICAJYAASXSQ-SECBINFHSA-N 1 2 236.275 0.962 20 0 BCADLO COCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612810 585946546 /nfs/dbraw/zinc/94/65/46/585946546.db2.gz QYUBIQJHOCDJLR-MRVPVSSYSA-N 1 2 202.254 0.700 20 0 BCADLO CC(C)CNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613904 585946821 /nfs/dbraw/zinc/94/68/21/585946821.db2.gz YMRINNXMGWIUCH-SECBINFHSA-N 1 2 243.307 0.436 20 0 BCADLO CC(C)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789627897 585947173 /nfs/dbraw/zinc/94/71/73/585947173.db2.gz RUTGLGVCACTXJP-QMMMGPOBSA-N 1 2 229.280 0.188 20 0 BCADLO Cn1cc(C(=O)OCCc2c[nH+]cn2C)cn1 ZINC000789773687 585949836 /nfs/dbraw/zinc/94/98/36/585949836.db2.gz ZVUJCMXCYFMMBG-UHFFFAOYSA-N 1 2 234.259 0.553 20 0 BCADLO Cc1n[nH]nc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000790010236 585955915 /nfs/dbraw/zinc/95/59/15/585955915.db2.gz OFVYDRDXZKPECM-QMMMGPOBSA-N 1 2 246.274 0.814 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2[nH]nnc2C)C[C@@H]1C ZINC000790002954 585956081 /nfs/dbraw/zinc/95/60/81/585956081.db2.gz QFUPXEZJICMWBD-QMMMGPOBSA-N 1 2 237.307 0.279 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2[nH]nnc2C)C[C@@H]1C ZINC000790002954 585956082 /nfs/dbraw/zinc/95/60/82/585956082.db2.gz QFUPXEZJICMWBD-QMMMGPOBSA-N 1 2 237.307 0.279 20 0 BCADLO Cc1n[nH]nc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000790020371 585956180 /nfs/dbraw/zinc/95/61/80/585956180.db2.gz SAQOEJMXCURRMN-UHFFFAOYSA-N 1 2 246.274 0.826 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+](CCS(C)(=O)=O)CCO1 ZINC000790436412 585964728 /nfs/dbraw/zinc/96/47/28/585964728.db2.gz XPPBEFWCRWRLPT-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000790436412 585964729 /nfs/dbraw/zinc/96/47/29/585964729.db2.gz XPPBEFWCRWRLPT-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791551450 585983871 /nfs/dbraw/zinc/98/38/71/585983871.db2.gz AFNAAIBJALEWLF-KOLCDFICSA-N 1 2 242.319 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791551450 585983872 /nfs/dbraw/zinc/98/38/72/585983872.db2.gz AFNAAIBJALEWLF-KOLCDFICSA-N 1 2 242.319 0.506 20 0 BCADLO CC[C@H](C(=O)OC)C(=O)OCCn1cc[nH+]c1 ZINC000791637038 585985628 /nfs/dbraw/zinc/98/56/28/585985628.db2.gz RXUVOPNBGSDTDX-SECBINFHSA-N 1 2 240.259 0.626 20 0 BCADLO Nc1cc(COC(=O)CN2CCCC2=O)cc[nH+]1 ZINC000791652293 585985785 /nfs/dbraw/zinc/98/57/85/585985785.db2.gz VSJPVTZUVUWRKN-UHFFFAOYSA-N 1 2 249.270 0.329 20 0 BCADLO COc1cncc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000791695549 585986380 /nfs/dbraw/zinc/98/63/80/585986380.db2.gz KQCIFAQOJGQIQR-UHFFFAOYSA-N 1 2 248.242 0.539 20 0 BCADLO Nc1cc(COC(=O)[C@H]2COCCO2)cc[nH+]1 ZINC000791713043 585986659 /nfs/dbraw/zinc/98/66/59/585986659.db2.gz NHBZOHGMLUQSKF-SECBINFHSA-N 1 2 238.243 0.122 20 0 BCADLO Cn1ccc(CC(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792119664 585995937 /nfs/dbraw/zinc/99/59/37/585995937.db2.gz KJGLXXYXUAAYMJ-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO CC(C)(C(N)=O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792182628 585997109 /nfs/dbraw/zinc/99/71/09/585997109.db2.gz JPJIJXCISBVIQI-UHFFFAOYSA-N 1 2 237.259 0.219 20 0 BCADLO Cn1ccc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792205112 585997891 /nfs/dbraw/zinc/99/78/91/585997891.db2.gz YQCVAKGZDLGHTI-UHFFFAOYSA-N 1 2 232.243 0.754 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCOC[C@@H]2CCO)c1 ZINC000792269043 585998685 /nfs/dbraw/zinc/99/86/85/585998685.db2.gz SMHFPHHRZDRIJQ-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccnc(C[N@H+]2CCOC[C@@H]2CCO)c1 ZINC000792269043 585998686 /nfs/dbraw/zinc/99/86/86/585998686.db2.gz SMHFPHHRZDRIJQ-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO COC(C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1)OC ZINC000792389625 586000456 /nfs/dbraw/zinc/00/04/56/586000456.db2.gz UZWGMYLIQSTVIJ-RKDXNWHRSA-N 1 2 235.349 0.447 20 0 BCADLO CCON(C)C(=O)NCCn1cc[nH+]c1 ZINC000792572980 586002893 /nfs/dbraw/zinc/00/28/93/586002893.db2.gz ZWNVPRYAXTVFIH-UHFFFAOYSA-N 1 2 212.253 0.476 20 0 BCADLO C[C@@H](O)c1cn(C2C[NH+](CC3(F)CC3)C2)nn1 ZINC000793062077 586009353 /nfs/dbraw/zinc/00/93/53/586009353.db2.gz DXFHWYCXXJJRKI-MRVPVSSYSA-N 1 2 240.282 0.690 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1OCCO1 ZINC000793075037 586009659 /nfs/dbraw/zinc/00/96/59/586009659.db2.gz WFVUJHCVOKZZQG-VIFPVBQESA-N 1 2 239.275 0.151 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793257440 586015286 /nfs/dbraw/zinc/01/52/86/586015286.db2.gz HHNZMSPWXXRQSK-QWRGUYRKSA-N 1 2 238.287 0.931 20 0 BCADLO CC(=O)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000793739234 586025625 /nfs/dbraw/zinc/02/56/25/586025625.db2.gz DVTWRMBCBNYDDJ-UHFFFAOYSA-N 1 2 223.276 0.780 20 0 BCADLO CC(=O)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000793739234 586025626 /nfs/dbraw/zinc/02/56/26/586025626.db2.gz DVTWRMBCBNYDDJ-UHFFFAOYSA-N 1 2 223.276 0.780 20 0 BCADLO O=C(C[C@@H]1CCCOC1)Nc1cc[nH+]cc1O ZINC000793744258 586025842 /nfs/dbraw/zinc/02/58/42/586025842.db2.gz DQSHDKUCFOEGRM-VIFPVBQESA-N 1 2 236.271 0.964 20 0 BCADLO O=C(C[C@H]1CCCOC1)Nc1cc[nH+]cc1O ZINC000793744256 586025855 /nfs/dbraw/zinc/02/58/55/586025855.db2.gz DQSHDKUCFOEGRM-SECBINFHSA-N 1 2 236.271 0.964 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cn1cnc(C(=O)OC)n1 ZINC000793821964 586027520 /nfs/dbraw/zinc/02/75/20/586027520.db2.gz TVWPIBAXCOTOHD-QMMMGPOBSA-N 1 2 224.264 0.507 20 0 BCADLO CC[C@H]1CC[N@H+]1Cn1cnc(C(=O)OC)n1 ZINC000793821964 586027521 /nfs/dbraw/zinc/02/75/21/586027521.db2.gz TVWPIBAXCOTOHD-QMMMGPOBSA-N 1 2 224.264 0.507 20 0 BCADLO Cc1cc(CO[NH+]=C(N)CCO)ncn1 ZINC000793842848 586027610 /nfs/dbraw/zinc/02/76/10/586027610.db2.gz JKGGTPUFRRPQOF-UHFFFAOYSA-N 1 2 210.237 0.166 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1cccnc1F ZINC000794008687 586030190 /nfs/dbraw/zinc/03/01/90/586030190.db2.gz IICRKWFYWCXLTB-UHFFFAOYSA-N 1 2 234.234 0.734 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cccc2[nH+]ccn21 ZINC000794226971 586035416 /nfs/dbraw/zinc/03/54/16/586035416.db2.gz QPIBVGYNEQBGPG-GDGBQDQQSA-N 1 2 243.266 0.709 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000794434535 586039673 /nfs/dbraw/zinc/03/96/73/586039673.db2.gz PVAPMVSYZCWWTA-UHFFFAOYSA-N 1 2 238.291 0.641 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@H]1CCCO1 ZINC000794521250 586041644 /nfs/dbraw/zinc/04/16/44/586041644.db2.gz RIVKQLNSQANKSU-SECBINFHSA-N 1 2 243.307 0.579 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1CCCO1 ZINC000794521773 586041837 /nfs/dbraw/zinc/04/18/37/586041837.db2.gz GPEUUBNUOWUCQW-JGVFFNPUSA-N 1 2 202.254 0.699 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCCO1 ZINC000794521771 586041851 /nfs/dbraw/zinc/04/18/51/586041851.db2.gz GPEUUBNUOWUCQW-HTQZYQBOSA-N 1 2 202.254 0.699 20 0 BCADLO Cc1nccc(CO[NH+]=C(N)CCO)n1 ZINC000794720477 586047290 /nfs/dbraw/zinc/04/72/90/586047290.db2.gz NTJYBTJOBQODET-UHFFFAOYSA-N 1 2 210.237 0.166 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1ccnc(C)n1 ZINC000794721648 586047415 /nfs/dbraw/zinc/04/74/15/586047415.db2.gz UTVKBWZYTXZUMF-ZETCQYMHSA-N 1 2 224.264 0.818 20 0 BCADLO Cc1nc(N2CC(=O)N(C)C(=O)C2)c(C)c(C)[nH+]1 ZINC000795138397 586069394 /nfs/dbraw/zinc/06/93/94/586069394.db2.gz XIIXXLZEZQXLLY-UHFFFAOYSA-N 1 2 248.286 0.207 20 0 BCADLO Cc1nonc1C[N@@H+](C)C1(CO)CCC1 ZINC000795202341 586071906 /nfs/dbraw/zinc/07/19/06/586071906.db2.gz WFUSNDWADNQHMT-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nonc1C[N@H+](C)C1(CO)CCC1 ZINC000795202341 586071907 /nfs/dbraw/zinc/07/19/07/586071907.db2.gz WFUSNDWADNQHMT-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO COCCOCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795666161 586090636 /nfs/dbraw/zinc/09/06/36/586090636.db2.gz NDPFGHXURDBUOO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COCCOCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795666161 586090637 /nfs/dbraw/zinc/09/06/37/586090637.db2.gz NDPFGHXURDBUOO-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000796197633 586098703 /nfs/dbraw/zinc/09/87/03/586098703.db2.gz ORWBHIDHUSLDGY-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000796197633 586098704 /nfs/dbraw/zinc/09/87/04/586098704.db2.gz ORWBHIDHUSLDGY-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796339897 586101068 /nfs/dbraw/zinc/10/10/68/586101068.db2.gz AOVKFPGPUGSRDA-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796339897 586101069 /nfs/dbraw/zinc/10/10/69/586101069.db2.gz AOVKFPGPUGSRDA-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO CC[C@](C)(OC)C(=O)OCC[NH+]1CCOCC1 ZINC000796400390 586102746 /nfs/dbraw/zinc/10/27/46/586102746.db2.gz XHUNUALJIIBZCT-LBPRGKRZSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000796445098 586103255 /nfs/dbraw/zinc/10/32/55/586103255.db2.gz JOEZXUKTBXADKQ-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000796445098 586103256 /nfs/dbraw/zinc/10/32/56/586103256.db2.gz JOEZXUKTBXADKQ-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000796612988 586108680 /nfs/dbraw/zinc/10/86/80/586108680.db2.gz QRVWNZTUIVZKSP-XZLDQRQTSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)[C@@H](C)C(=O)OC ZINC000796612988 586108681 /nfs/dbraw/zinc/10/86/81/586108681.db2.gz QRVWNZTUIVZKSP-XZLDQRQTSA-N 1 2 229.276 0.599 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)CC[S@@](C)=O ZINC000798193399 586139346 /nfs/dbraw/zinc/13/93/46/586139346.db2.gz LJWAYGVILMIOEK-OAHLLOKOSA-N 1 2 234.365 0.165 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)CC[S@@](C)=O ZINC000798193399 586139347 /nfs/dbraw/zinc/13/93/47/586139347.db2.gz LJWAYGVILMIOEK-OAHLLOKOSA-N 1 2 234.365 0.165 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1ccon1 ZINC000799124853 586159987 /nfs/dbraw/zinc/15/99/87/586159987.db2.gz VNAYFJCWGDTPNC-UHFFFAOYSA-N 1 2 227.264 0.516 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1ccon1 ZINC000799124853 586159988 /nfs/dbraw/zinc/15/99/88/586159988.db2.gz VNAYFJCWGDTPNC-UHFFFAOYSA-N 1 2 227.264 0.516 20 0 BCADLO C[N@H+](Cc1ccnc(F)c1)C(C)(C)C(N)=O ZINC000859319109 589031172 /nfs/dbraw/zinc/03/11/72/589031172.db2.gz LTIHDLFCHWUWTI-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO C[N@@H+](Cc1ccnc(F)c1)C(C)(C)C(N)=O ZINC000859319109 589031173 /nfs/dbraw/zinc/03/11/73/589031173.db2.gz LTIHDLFCHWUWTI-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC[C@H](C)[N@@H+](CC(=O)OC)CC1OCCO1 ZINC000799169696 586160929 /nfs/dbraw/zinc/16/09/29/586160929.db2.gz NOIKRRPZLHCDJF-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO CC[C@H](C)[N@H+](CC(=O)OC)CC1OCCO1 ZINC000799169696 586160931 /nfs/dbraw/zinc/16/09/31/586160931.db2.gz NOIKRRPZLHCDJF-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799161248 586162715 /nfs/dbraw/zinc/16/27/15/586162715.db2.gz QPJAAOHQZHQPEO-ZJUUUORDSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799161248 586162717 /nfs/dbraw/zinc/16/27/17/586162717.db2.gz QPJAAOHQZHQPEO-ZJUUUORDSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799161243 586163091 /nfs/dbraw/zinc/16/30/91/586163091.db2.gz QPJAAOHQZHQPEO-NXEZZACHSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799161243 586163093 /nfs/dbraw/zinc/16/30/93/586163093.db2.gz QPJAAOHQZHQPEO-NXEZZACHSA-N 1 2 240.303 0.148 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799166972 586164258 /nfs/dbraw/zinc/16/42/58/586164258.db2.gz LQXGFLROJBJWJN-SKDRFNHKSA-N 1 2 240.303 0.293 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799166972 586164260 /nfs/dbraw/zinc/16/42/60/586164260.db2.gz LQXGFLROJBJWJN-SKDRFNHKSA-N 1 2 240.303 0.293 20 0 BCADLO O[C@H](C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000799292903 586168627 /nfs/dbraw/zinc/16/86/27/586168627.db2.gz PKMUXYUWFYYBQB-LLVKDONJSA-N 1 2 226.251 0.586 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000800379468 586214583 /nfs/dbraw/zinc/21/45/83/586214583.db2.gz SPWSLMNEVQPRCL-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000800379468 586214586 /nfs/dbraw/zinc/21/45/86/586214586.db2.gz SPWSLMNEVQPRCL-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000800434346 586219125 /nfs/dbraw/zinc/21/91/25/586219125.db2.gz RUJYESMNEQFVBY-JTQLQIEISA-N 1 2 242.319 0.603 20 0 BCADLO CCC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000800479801 586221989 /nfs/dbraw/zinc/22/19/89/586221989.db2.gz MBZQXHYSIFKSRE-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000800479801 586221991 /nfs/dbraw/zinc/22/19/91/586221991.db2.gz MBZQXHYSIFKSRE-SECBINFHSA-N 1 2 212.293 0.518 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000800507739 586223431 /nfs/dbraw/zinc/22/34/31/586223431.db2.gz WZZFEYOOEBKCJA-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCOCCO ZINC000800507739 586223432 /nfs/dbraw/zinc/22/34/32/586223432.db2.gz WZZFEYOOEBKCJA-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO C[N@H+](CCOCCO)Cc1coc(C2CC2)n1 ZINC000800545916 586225209 /nfs/dbraw/zinc/22/52/09/586225209.db2.gz GXQHXAKQAYAGMW-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO C[N@@H+](CCOCCO)Cc1coc(C2CC2)n1 ZINC000800545916 586225212 /nfs/dbraw/zinc/22/52/12/586225212.db2.gz GXQHXAKQAYAGMW-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561418 586262541 /nfs/dbraw/zinc/26/25/41/586262541.db2.gz QTULTRDSHCRJIG-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561418 586262544 /nfs/dbraw/zinc/26/25/44/586262544.db2.gz QTULTRDSHCRJIG-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561068 586262928 /nfs/dbraw/zinc/26/29/28/586262928.db2.gz UIEWSLNFZHSFNH-MRVPVSSYSA-N 1 2 207.220 0.931 20 0 BCADLO CC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561068 586262930 /nfs/dbraw/zinc/26/29/30/586262930.db2.gz UIEWSLNFZHSFNH-MRVPVSSYSA-N 1 2 207.220 0.931 20 0 BCADLO FC(F)[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000801564061 586263213 /nfs/dbraw/zinc/26/32/13/586263213.db2.gz WTVCRSTYTHJFOS-MRVPVSSYSA-N 1 2 232.234 0.244 20 0 BCADLO FC(F)[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000801564061 586263215 /nfs/dbraw/zinc/26/32/15/586263215.db2.gz WTVCRSTYTHJFOS-MRVPVSSYSA-N 1 2 232.234 0.244 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562855 586263771 /nfs/dbraw/zinc/26/37/71/586263771.db2.gz GWUNABNHCJNHKT-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562855 586263772 /nfs/dbraw/zinc/26/37/72/586263772.db2.gz GWUNABNHCJNHKT-DTWKUNHWSA-N 1 2 239.262 0.350 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589479 586265590 /nfs/dbraw/zinc/26/55/90/586265590.db2.gz FYEDZJBMRRJMFJ-FPZBOGFLSA-N 1 2 241.287 0.205 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589479 586265593 /nfs/dbraw/zinc/26/55/93/586265593.db2.gz FYEDZJBMRRJMFJ-FPZBOGFLSA-N 1 2 241.287 0.205 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@](F)(CO)C1 ZINC000802012750 586286059 /nfs/dbraw/zinc/28/60/59/586286059.db2.gz WPYGELHUHMEDIT-DKSFEKEHSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@](F)(CO)C1 ZINC000802012750 586286060 /nfs/dbraw/zinc/28/60/60/586286060.db2.gz WPYGELHUHMEDIT-DKSFEKEHSA-N 1 2 231.267 0.512 20 0 BCADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000839951193 586286394 /nfs/dbraw/zinc/28/63/94/586286394.db2.gz VZBSOGWISWJGBK-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000839951193 586286395 /nfs/dbraw/zinc/28/63/95/586286395.db2.gz VZBSOGWISWJGBK-GARJFASQSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)O[C@H]2CC[N@H+](CCF)C2)CO1 ZINC000802232055 586297834 /nfs/dbraw/zinc/29/78/34/586297834.db2.gz PKSSOLGIEDSXGH-MXWKQRLJSA-N 1 2 245.294 0.998 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)O[C@H]2CC[N@@H+](CCF)C2)CO1 ZINC000802232055 586297835 /nfs/dbraw/zinc/29/78/35/586297835.db2.gz PKSSOLGIEDSXGH-MXWKQRLJSA-N 1 2 245.294 0.998 20 0 BCADLO O=C(COCC1CC1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802237894 586298008 /nfs/dbraw/zinc/29/80/08/586298008.db2.gz BKNWVDPUQDAFNH-NSHDSACASA-N 1 2 245.294 1.000 20 0 BCADLO O=C(COCC1CC1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802237894 586298010 /nfs/dbraw/zinc/29/80/10/586298010.db2.gz BKNWVDPUQDAFNH-NSHDSACASA-N 1 2 245.294 1.000 20 0 BCADLO CC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)COC1 ZINC000802244136 586298812 /nfs/dbraw/zinc/29/88/12/586298812.db2.gz LFWXDVVGSMBRHC-SECBINFHSA-N 1 2 231.267 0.610 20 0 BCADLO CC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)COC1 ZINC000802244136 586298813 /nfs/dbraw/zinc/29/88/13/586298813.db2.gz LFWXDVVGSMBRHC-SECBINFHSA-N 1 2 231.267 0.610 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cncnc1 ZINC000802244123 586299282 /nfs/dbraw/zinc/29/92/82/586299282.db2.gz KZCZAEKJHMHZDG-JTQLQIEISA-N 1 2 239.250 0.677 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cncnc1 ZINC000802244123 586299283 /nfs/dbraw/zinc/29/92/83/586299283.db2.gz KZCZAEKJHMHZDG-JTQLQIEISA-N 1 2 239.250 0.677 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CN1CC[C@H](C)C1=O ZINC000839997559 586345583 /nfs/dbraw/zinc/34/55/83/586345583.db2.gz FDUPUALOROARLI-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1COCC[N@H+]1CN1CC[C@H](C)C1=O ZINC000839997559 586345587 /nfs/dbraw/zinc/34/55/87/586345587.db2.gz FDUPUALOROARLI-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1CN(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@H]1C ZINC000840016680 586375944 /nfs/dbraw/zinc/37/59/44/586375944.db2.gz WJDXOMOMUOMQTB-FIQHERPVSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1CN(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)[C@H]1C ZINC000840016680 586375947 /nfs/dbraw/zinc/37/59/47/586375947.db2.gz WJDXOMOMUOMQTB-FIQHERPVSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@H](C)[C@H]2C)C1=O ZINC000840028611 586384827 /nfs/dbraw/zinc/38/48/27/586384827.db2.gz PFDQMBQTEALQMY-GMTAPVOTSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@H](C)[C@H]2C)C1=O ZINC000840028611 586384829 /nfs/dbraw/zinc/38/48/29/586384829.db2.gz PFDQMBQTEALQMY-GMTAPVOTSA-N 1 2 226.320 0.922 20 0 BCADLO CCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)COC1 ZINC000804334491 586391002 /nfs/dbraw/zinc/39/10/02/586391002.db2.gz HVFPQLHUOKTAJI-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=COCC1 ZINC000804335896 586391324 /nfs/dbraw/zinc/39/13/24/586391324.db2.gz FROQSNRMSLUUJL-SNVBAGLBSA-N 1 2 233.271 0.618 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C(F)F ZINC000804337341 586392288 /nfs/dbraw/zinc/39/22/88/586392288.db2.gz XUYCKAPEHQWXCC-ZCFIWIBFSA-N 1 2 215.203 0.579 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000840049139 586398551 /nfs/dbraw/zinc/39/85/51/586398551.db2.gz RQXAPTSXYPQVRL-JQWIXIFHSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000840049139 586398554 /nfs/dbraw/zinc/39/85/54/586398554.db2.gz RQXAPTSXYPQVRL-JQWIXIFHSA-N 1 2 238.331 0.923 20 0 BCADLO Cn1ncc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000806387346 586411224 /nfs/dbraw/zinc/41/12/24/586411224.db2.gz HCIKYOMIKKHFNS-UHFFFAOYSA-N 1 2 246.274 0.052 20 0 BCADLO O=C(Cc1ccc(F)cn1)NCCn1cc[nH+]c1 ZINC000806453804 586412571 /nfs/dbraw/zinc/41/25/71/586412571.db2.gz MYZQFUGCFCLPJM-UHFFFAOYSA-N 1 2 248.261 0.776 20 0 BCADLO C[C@H]1CN(CN2CCn3c[nH+]cc3C2)C(=O)[C@H]1C ZINC000840076106 586418299 /nfs/dbraw/zinc/41/82/99/586418299.db2.gz OJQKZKJHAAHSMQ-QWRGUYRKSA-N 1 2 248.330 0.771 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CC[C@H](C)C1=O ZINC000840082485 586422348 /nfs/dbraw/zinc/42/23/48/586422348.db2.gz CNKZBKWDCVZUBW-UWVGGRQHSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CC[C@H](C)C1=O ZINC000840082485 586422351 /nfs/dbraw/zinc/42/23/51/586422351.db2.gz CNKZBKWDCVZUBW-UWVGGRQHSA-N 1 2 212.293 0.533 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CCO)C1CC1 ZINC000807083391 586423069 /nfs/dbraw/zinc/42/30/69/586423069.db2.gz YOUBVQVBGRCNLG-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840083184 586423171 /nfs/dbraw/zinc/42/31/71/586423171.db2.gz JWTVJTMBSIWPKM-MXWKQRLJSA-N 1 2 226.320 0.779 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840083184 586423173 /nfs/dbraw/zinc/42/31/73/586423173.db2.gz JWTVJTMBSIWPKM-MXWKQRLJSA-N 1 2 226.320 0.779 20 0 BCADLO C[C@H]1COCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000807153450 586424771 /nfs/dbraw/zinc/42/47/71/586424771.db2.gz UWFGSTKBUIXIGU-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO C[C@H]1CCOCCN1C(=O)Cc1c[nH+]cn1C ZINC000807191828 586425048 /nfs/dbraw/zinc/42/50/48/586425048.db2.gz BHARRMCWNREMQS-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO CN1C(=O)CN(C[N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840098110 586445648 /nfs/dbraw/zinc/44/56/48/586445648.db2.gz GBUXVSIMCCAJEE-LLVKDONJSA-N 1 2 243.282 0.662 20 0 BCADLO CN1C(=O)CN(C[N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840098110 586445649 /nfs/dbraw/zinc/44/56/49/586445649.db2.gz GBUXVSIMCCAJEE-LLVKDONJSA-N 1 2 243.282 0.662 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840103832 586446951 /nfs/dbraw/zinc/44/69/51/586446951.db2.gz OZLAXNZZJJHZJK-ZYHUDNBSSA-N 1 2 242.294 0.627 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840103832 586446952 /nfs/dbraw/zinc/44/69/52/586446952.db2.gz OZLAXNZZJJHZJK-ZYHUDNBSSA-N 1 2 242.294 0.627 20 0 BCADLO O[C@@]1(C(F)F)CC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000840117514 586449526 /nfs/dbraw/zinc/44/95/26/586449526.db2.gz IVXJZFRTLIZOFK-VIFPVBQESA-N 1 2 249.286 0.831 20 0 BCADLO O[C@@]1(C(F)F)CC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000840117514 586449528 /nfs/dbraw/zinc/44/95/28/586449528.db2.gz IVXJZFRTLIZOFK-VIFPVBQESA-N 1 2 249.286 0.831 20 0 BCADLO CC1(C)CCC(=O)N1C[N@@H+]1CCNC(=O)CC1 ZINC000808153955 586464658 /nfs/dbraw/zinc/46/46/58/586464658.db2.gz IXENVXDCYYDELX-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO CC1(C)CCC(=O)N1C[N@H+]1CCNC(=O)CC1 ZINC000808153955 586464659 /nfs/dbraw/zinc/46/46/59/586464659.db2.gz IXENVXDCYYDELX-UHFFFAOYSA-N 1 2 239.319 0.167 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808163456 586465802 /nfs/dbraw/zinc/46/58/02/586465802.db2.gz LSXBJNXKCRNATH-DTWKUNHWSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808163456 586465803 /nfs/dbraw/zinc/46/58/03/586465803.db2.gz LSXBJNXKCRNATH-DTWKUNHWSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H](NCc1cn(C)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000808396599 586470941 /nfs/dbraw/zinc/47/09/41/586470941.db2.gz SFYAEWDXBFXZFS-PWSUYJOCSA-N 1 2 238.335 0.229 20 0 BCADLO C[C@@H](NCc1cn(C)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000808396599 586470940 /nfs/dbraw/zinc/47/09/40/586470940.db2.gz SFYAEWDXBFXZFS-PWSUYJOCSA-N 1 2 238.335 0.229 20 0 BCADLO OC[C@H]1CC[N@H+](Cc2cscn2)C[C@@H]1O ZINC000808750044 586488204 /nfs/dbraw/zinc/48/82/04/586488204.db2.gz FTGILLDMLALHKE-SCZZXKLOSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000808750044 586488205 /nfs/dbraw/zinc/48/82/05/586488205.db2.gz FTGILLDMLALHKE-SCZZXKLOSA-N 1 2 228.317 0.318 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808751635 586488518 /nfs/dbraw/zinc/48/85/18/586488518.db2.gz FYQKYULBQGIEMP-DCAQKATOSA-N 1 2 245.319 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808751635 586488520 /nfs/dbraw/zinc/48/85/20/586488520.db2.gz FYQKYULBQGIEMP-DCAQKATOSA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000808757487 586488788 /nfs/dbraw/zinc/48/87/88/586488788.db2.gz MPWJLUAFSMPOSV-JTQLQIEISA-N 1 2 247.360 0.721 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000808757487 586488789 /nfs/dbraw/zinc/48/87/89/586488789.db2.gz MPWJLUAFSMPOSV-JTQLQIEISA-N 1 2 247.360 0.721 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000808777543 586489646 /nfs/dbraw/zinc/48/96/46/586489646.db2.gz PYHDUPORHUXVAB-SSDOTTSWSA-N 1 2 214.244 0.659 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000808777543 586489648 /nfs/dbraw/zinc/48/96/48/586489648.db2.gz PYHDUPORHUXVAB-SSDOTTSWSA-N 1 2 214.244 0.659 20 0 BCADLO COc1c(O)cccc1C[NH2+]Cc1cnn(C)n1 ZINC000809720213 586514693 /nfs/dbraw/zinc/51/46/93/586514693.db2.gz ALDLMCDXGLYEFU-UHFFFAOYSA-N 1 2 248.286 0.819 20 0 BCADLO Cn1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000809745159 586516271 /nfs/dbraw/zinc/51/62/71/586516271.db2.gz DOXBCOUIDIJYGX-SECBINFHSA-N 1 2 246.274 0.516 20 0 BCADLO Cc1nonc1C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000809744440 586516816 /nfs/dbraw/zinc/51/68/16/586516816.db2.gz LASKWKHOPOSPQN-UHFFFAOYSA-N 1 2 248.290 0.524 20 0 BCADLO Cn1nncc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000809903975 586523138 /nfs/dbraw/zinc/52/31/38/586523138.db2.gz CARYBMZSCHTNQM-UHFFFAOYSA-N 1 2 247.262 0.114 20 0 BCADLO Cn1ncc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000809936202 586523960 /nfs/dbraw/zinc/52/39/60/586523960.db2.gz SHBWZAJHLXWGDX-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000809936202 586523961 /nfs/dbraw/zinc/52/39/61/586523961.db2.gz SHBWZAJHLXWGDX-SNVBAGLBSA-N 1 2 210.281 0.426 20 0 BCADLO COC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809932140 586524075 /nfs/dbraw/zinc/52/40/75/586524075.db2.gz ODDTYVZYHYKABZ-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1cnn(C)n1 ZINC000809965998 586526732 /nfs/dbraw/zinc/52/67/32/586526732.db2.gz SPBBMHIRRZRGSI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1cnn(C)n1 ZINC000809965998 586526734 /nfs/dbraw/zinc/52/67/34/586526734.db2.gz SPBBMHIRRZRGSI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COCCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000809968271 586527185 /nfs/dbraw/zinc/52/71/85/586527185.db2.gz SSEJQGCQRZTPIA-BDAKNGLRSA-N 1 2 223.276 0.853 20 0 BCADLO COCCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000809968271 586527187 /nfs/dbraw/zinc/52/71/87/586527187.db2.gz SSEJQGCQRZTPIA-BDAKNGLRSA-N 1 2 223.276 0.853 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)no1 ZINC000809985347 586528646 /nfs/dbraw/zinc/52/86/46/586528646.db2.gz JZSDGMBGRPYUTR-OVYXKVPISA-N 1 2 223.276 0.753 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)no1 ZINC000809985347 586528648 /nfs/dbraw/zinc/52/86/48/586528648.db2.gz JZSDGMBGRPYUTR-OVYXKVPISA-N 1 2 223.276 0.753 20 0 BCADLO Cn1nnc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000809993977 586529609 /nfs/dbraw/zinc/52/96/09/586529609.db2.gz JSSAAIFBKBUJAQ-UHFFFAOYSA-N 1 2 246.274 0.451 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000809997777 586529942 /nfs/dbraw/zinc/52/99/42/586529942.db2.gz HHTKDHFSQBRYFT-UHFFFAOYSA-N 1 2 231.296 0.388 20 0 BCADLO C[C@@]1([NH2+]CCO[C@H]2CCCCO2)CCOC1=O ZINC000810094703 586533616 /nfs/dbraw/zinc/53/36/16/586533616.db2.gz ZCIHTJNUSLLKNI-CMPLNLGQSA-N 1 2 243.303 0.825 20 0 BCADLO Cn1cc(CCC[NH2+][C@]2(C)CCOC2=O)cn1 ZINC000810095502 586533782 /nfs/dbraw/zinc/53/37/82/586533782.db2.gz NRYIPIAASXHYAI-GFCCVEGCSA-N 1 2 237.303 0.648 20 0 BCADLO C[C@@H]1CN(CC[NH2+][C@@]2(C)CCOC2=O)CCO1 ZINC000810096644 586533962 /nfs/dbraw/zinc/53/39/62/586533962.db2.gz SAZFUKCSTSDTTB-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](F)C(F)(F)F ZINC000810378157 586538716 /nfs/dbraw/zinc/53/87/16/586538716.db2.gz PGDXVJOBJYQBLV-LURJTMIESA-N 1 2 239.172 0.969 20 0 BCADLO Cn1cnc(C(=O)O[C@H]2CC[N@H+](CCF)C2)n1 ZINC000810753467 586546165 /nfs/dbraw/zinc/54/61/65/586546165.db2.gz AXNISKIKORNTMN-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1cnc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)n1 ZINC000810753467 586546166 /nfs/dbraw/zinc/54/61/66/586546166.db2.gz AXNISKIKORNTMN-QMMMGPOBSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CCCOC1 ZINC000810757715 586546476 /nfs/dbraw/zinc/54/64/76/586546476.db2.gz SZFHLRUIVTZJNI-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO CCNC(=S)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811712913 586566211 /nfs/dbraw/zinc/56/62/11/586566211.db2.gz KYPSHPVAGOOBHC-ZETCQYMHSA-N 1 2 224.333 0.751 20 0 BCADLO CCNC(=S)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811712913 586566212 /nfs/dbraw/zinc/56/62/12/586566212.db2.gz KYPSHPVAGOOBHC-ZETCQYMHSA-N 1 2 224.333 0.751 20 0 BCADLO S=c1[nH]ccn1CN1CCn2c[nH+]cc2C1 ZINC000811787978 586566611 /nfs/dbraw/zinc/56/66/11/586566611.db2.gz VAEJCVJACCNFQZ-UHFFFAOYSA-N 1 2 235.316 0.842 20 0 BCADLO CC[C@H]1CC(=O)N(CN2CCn3c[nH+]cc3C2)C1 ZINC000811787548 586566677 /nfs/dbraw/zinc/56/66/77/586566677.db2.gz NQGPNIARKFZYLF-NSHDSACASA-N 1 2 248.330 0.915 20 0 BCADLO C[C@H]1CC(=O)N(CN2CCn3c[nH+]cc3C2)C1 ZINC000811788215 586566766 /nfs/dbraw/zinc/56/67/66/586566766.db2.gz FCNCZBWNOFAIRI-JTQLQIEISA-N 1 2 234.303 0.525 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOC1CCC1 ZINC000812789361 586584474 /nfs/dbraw/zinc/58/44/74/586584474.db2.gz WLJBGCGGNLXYCO-UHFFFAOYSA-N 1 2 209.249 0.563 20 0 BCADLO CN(C)c1cc(NCc2cnn(C)c2)[nH+]cn1 ZINC000813354831 586601092 /nfs/dbraw/zinc/60/10/92/586601092.db2.gz IGAGYIUUJCSHIX-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CN(C)c1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000813354831 586601093 /nfs/dbraw/zinc/60/10/93/586601093.db2.gz IGAGYIUUJCSHIX-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO Cc1c[nH]nc1NC(=O)Cc1c[nH+]cn1C ZINC000813538289 586603219 /nfs/dbraw/zinc/60/32/19/586603219.db2.gz CZPVEHXQJVMSKM-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C=O)c[nH]1 ZINC000815740671 586692998 /nfs/dbraw/zinc/69/29/98/586692998.db2.gz UPRJAVXVDMWQRT-UHFFFAOYSA-N 1 2 232.243 0.789 20 0 BCADLO CC[C@H](NC(=O)c1cnn(CC)n1)c1[nH]cc[nH+]1 ZINC000816144448 586710860 /nfs/dbraw/zinc/71/08/60/586710860.db2.gz ZALAFUPDNDDSJP-QMMMGPOBSA-N 1 2 248.290 0.902 20 0 BCADLO CCc1nocc1C[N@H+](CC)CC(=O)NC ZINC000816486133 586735612 /nfs/dbraw/zinc/73/56/12/586735612.db2.gz PRQGEGZQRBLACC-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCc1nocc1C[N@@H+](CC)CC(=O)NC ZINC000816486133 586735613 /nfs/dbraw/zinc/73/56/13/586735613.db2.gz PRQGEGZQRBLACC-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CC[N@H+](CCO)Cc1cnn(C)c1Cl ZINC000816480217 586736051 /nfs/dbraw/zinc/73/60/51/586736051.db2.gz GXEWOVNRNVGQKM-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CC[N@@H+](CCO)Cc1cnn(C)c1Cl ZINC000816480217 586736054 /nfs/dbraw/zinc/73/60/54/586736054.db2.gz GXEWOVNRNVGQKM-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2c[nH+]cn2C)n1 ZINC000816746833 586762161 /nfs/dbraw/zinc/76/21/61/586762161.db2.gz NSMOFDXOKHMOSA-UHFFFAOYSA-N 1 2 248.290 0.270 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000816808455 586765055 /nfs/dbraw/zinc/76/50/55/586765055.db2.gz OLQYMRURGPUTHJ-DTORHVGOSA-N 1 2 223.276 0.588 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816842742 586767936 /nfs/dbraw/zinc/76/79/36/586767936.db2.gz CNUKAZSIEKOGBX-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816870621 586769129 /nfs/dbraw/zinc/76/91/29/586769129.db2.gz HUOPZBJUJVIPNE-UHFFFAOYSA-N 1 2 221.182 0.973 20 0 BCADLO COc1cccnc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816913022 586771467 /nfs/dbraw/zinc/77/14/67/586771467.db2.gz UNAWLBLVEXCMLI-UHFFFAOYSA-N 1 2 232.243 0.995 20 0 BCADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCOCC1 ZINC000816947866 586772425 /nfs/dbraw/zinc/77/24/25/586772425.db2.gz FHFRKXWGKMGJNT-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CS[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816954270 586774045 /nfs/dbraw/zinc/77/40/45/586774045.db2.gz XOJXABVFYCYGNQ-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO CC1(C)C[NH+](CC(=O)NN2CCCCC2)C1 ZINC000816955626 586774313 /nfs/dbraw/zinc/77/43/13/586774313.db2.gz INBBNWJIYLKRPX-UHFFFAOYSA-N 1 2 225.336 0.845 20 0 BCADLO CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816960550 586774350 /nfs/dbraw/zinc/77/43/50/586774350.db2.gz ARFWDYRUVLCSIS-UHFFFAOYSA-N 1 2 211.265 0.447 20 0 BCADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000816955476 586774486 /nfs/dbraw/zinc/77/44/86/586774486.db2.gz DOKXGBRYVOLQIK-SNVBAGLBSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CC12CC2 ZINC000817229660 586787264 /nfs/dbraw/zinc/78/72/64/586787264.db2.gz BHHKWICZTDCNOE-SNVBAGLBSA-N 1 2 225.288 0.662 20 0 BCADLO C[C@@]1(C(=O)OCC[NH+]2CCOCC2)CC1(F)F ZINC000817248769 586790043 /nfs/dbraw/zinc/79/00/43/586790043.db2.gz MZCQLXJEHVYNDC-JTQLQIEISA-N 1 2 249.257 0.907 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCN1C ZINC000817291245 586793211 /nfs/dbraw/zinc/79/32/11/586793211.db2.gz MXAUREFCSSBLGC-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCN1C ZINC000817291245 586793213 /nfs/dbraw/zinc/79/32/13/586793213.db2.gz MXAUREFCSSBLGC-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCc1cc(NC[C@H](F)C(=O)OC)nc[nH+]1 ZINC000840340656 586799655 /nfs/dbraw/zinc/79/96/55/586799655.db2.gz KXIWFGARLJQEQM-QMMMGPOBSA-N 1 2 227.239 0.962 20 0 BCADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)[O-] ZINC000818114200 586875425 /nfs/dbraw/zinc/87/54/25/586875425.db2.gz YFFWXDJWSRGGOR-SCZZXKLOSA-N 1 2 212.293 0.533 20 0 BCADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)[O-] ZINC000818114200 586875426 /nfs/dbraw/zinc/87/54/26/586875426.db2.gz YFFWXDJWSRGGOR-SCZZXKLOSA-N 1 2 212.293 0.533 20 0 BCADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)[O-] ZINC000818114201 586875592 /nfs/dbraw/zinc/87/55/92/586875592.db2.gz YFFWXDJWSRGGOR-WCBMZHEXSA-N 1 2 212.293 0.533 20 0 BCADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)[O-] ZINC000818114201 586875593 /nfs/dbraw/zinc/87/55/93/586875593.db2.gz YFFWXDJWSRGGOR-WCBMZHEXSA-N 1 2 212.293 0.533 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1ncccc1F ZINC000819184353 586936566 /nfs/dbraw/zinc/93/65/66/586936566.db2.gz MUVZFNHGCVPGNH-UHFFFAOYSA-N 1 2 246.307 0.745 20 0 BCADLO O=C(/C=C/[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273105 586946169 /nfs/dbraw/zinc/94/61/69/586946169.db2.gz NMGYHUAHFKRNNQ-CDAZIORVSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273105 586946172 /nfs/dbraw/zinc/94/61/72/586946172.db2.gz NMGYHUAHFKRNNQ-CDAZIORVSA-N 1 2 221.260 0.761 20 0 BCADLO COCCOc1ccc([NH2+]CCC(N)=O)cc1 ZINC000819410694 586962198 /nfs/dbraw/zinc/96/21/98/586962198.db2.gz CGKLWYULIJQPLO-UHFFFAOYSA-N 1 2 238.287 0.999 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000819683972 586985206 /nfs/dbraw/zinc/98/52/06/586985206.db2.gz JUZBBRHZMZIMKT-OPRDCNLKSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@@H](O)CN(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820002096 587012199 /nfs/dbraw/zinc/01/21/99/587012199.db2.gz HUZGYXBHLBCHBP-XNPJLODASA-N 1 2 223.276 0.273 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000820078722 587018954 /nfs/dbraw/zinc/01/89/54/587018954.db2.gz ONCOHILCXRGUAM-KKZNHRDASA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000820078722 587018956 /nfs/dbraw/zinc/01/89/56/587018956.db2.gz ONCOHILCXRGUAM-KKZNHRDASA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H](C[NH2+][C@@H](C)CC(=O)[O-])C[NH+]1CCOCC1 ZINC000820102374 587022029 /nfs/dbraw/zinc/02/20/29/587022029.db2.gz WNEDUTBZNBCUSY-QWRGUYRKSA-N 1 2 244.335 0.408 20 0 BCADLO Cn1c[nH+]c(C=CC(=O)N2Cc3c[nH]nc3C2)c1 ZINC000820175886 587031957 /nfs/dbraw/zinc/03/19/57/587031957.db2.gz REAHKHWWAVGEIP-IHWYPQMZSA-N 1 2 243.270 0.699 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CCCC1)c1nnc[nH]1 ZINC000820447620 587049672 /nfs/dbraw/zinc/04/96/72/587049672.db2.gz ZGHADLMWRBLDQR-MRVPVSSYSA-N 1 2 223.280 0.078 20 0 BCADLO Cc1cnc(NC[C@@H](O)C[NH+]2CCOCC2)o1 ZINC000820610614 587058579 /nfs/dbraw/zinc/05/85/79/587058579.db2.gz OTBDJMGFHRZZKA-SNVBAGLBSA-N 1 2 241.291 0.088 20 0 BCADLO C[C@H]1CN(C(=O)/C=C/c2cn(C)c[nH+]2)CCO1 ZINC000820663687 587064119 /nfs/dbraw/zinc/06/41/19/587064119.db2.gz YIFZVWNZEGGGMM-FSIBCCDJSA-N 1 2 235.287 0.681 20 0 BCADLO CCN(C(=O)/C=C/c1cn(C)c[nH+]1)[C@@H](C)CO ZINC000820695931 587066760 /nfs/dbraw/zinc/06/67/60/587066760.db2.gz UCKSRTFRHOHGBQ-PORFMDCZSA-N 1 2 237.303 0.663 20 0 BCADLO COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820730692 587069206 /nfs/dbraw/zinc/06/92/06/587069206.db2.gz XSNUZNBRXOPJJS-QWRGUYRKSA-N 1 2 244.335 0.550 20 0 BCADLO COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820730692 587069208 /nfs/dbraw/zinc/06/92/08/587069208.db2.gz XSNUZNBRXOPJJS-QWRGUYRKSA-N 1 2 244.335 0.550 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)cc[nH]1 ZINC000820728353 587069212 /nfs/dbraw/zinc/06/92/12/587069212.db2.gz KKBIMURTKLRUPA-SNVBAGLBSA-N 1 2 249.314 0.541 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)cc[nH]1 ZINC000820728353 587069214 /nfs/dbraw/zinc/06/92/14/587069214.db2.gz KKBIMURTKLRUPA-SNVBAGLBSA-N 1 2 249.314 0.541 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)cc[nH]1 ZINC000820728352 587069218 /nfs/dbraw/zinc/06/92/18/587069218.db2.gz KKBIMURTKLRUPA-JTQLQIEISA-N 1 2 249.314 0.541 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)cc[nH]1 ZINC000820728352 587069220 /nfs/dbraw/zinc/06/92/20/587069220.db2.gz KKBIMURTKLRUPA-JTQLQIEISA-N 1 2 249.314 0.541 20 0 BCADLO COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820729852 587069329 /nfs/dbraw/zinc/06/93/29/587069329.db2.gz BLMYUEZLAVAWBS-ZJUUUORDSA-N 1 2 230.308 0.160 20 0 BCADLO COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)[O-])C1 ZINC000820729852 587069332 /nfs/dbraw/zinc/06/93/32/587069332.db2.gz BLMYUEZLAVAWBS-ZJUUUORDSA-N 1 2 230.308 0.160 20 0 BCADLO COCCn1cc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000820841226 587076352 /nfs/dbraw/zinc/07/63/52/587076352.db2.gz JHBGKRSWDHBCDX-UHFFFAOYSA-N 1 2 249.318 0.885 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nc1 ZINC000860164242 589084067 /nfs/dbraw/zinc/08/40/67/589084067.db2.gz GLICCCXQOKBPBW-NXEZZACHSA-N 1 2 233.271 0.390 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nc1 ZINC000860164242 589084068 /nfs/dbraw/zinc/08/40/68/589084068.db2.gz GLICCCXQOKBPBW-NXEZZACHSA-N 1 2 233.271 0.390 20 0 BCADLO O=C(COC(F)(F)F)N[C@H]1CCn2cc[nH+]c21 ZINC000820947990 587083805 /nfs/dbraw/zinc/08/38/05/587083805.db2.gz LRUGYGHMUIVGRZ-LURJTMIESA-N 1 2 249.192 0.981 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]12 ZINC000860167372 589085643 /nfs/dbraw/zinc/08/56/43/589085643.db2.gz DRXZOOLWXAVSRV-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]12 ZINC000860167372 589085645 /nfs/dbraw/zinc/08/56/45/589085645.db2.gz DRXZOOLWXAVSRV-XPUUQOCRSA-N 1 2 225.273 0.143 20 0 BCADLO CCS(=O)(=O)CCN1CCn2c[nH+]cc2C1 ZINC000821269748 587104744 /nfs/dbraw/zinc/10/47/44/587104744.db2.gz GWHSXCQHEHTNRN-UHFFFAOYSA-N 1 2 243.332 0.133 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000821362204 587108424 /nfs/dbraw/zinc/10/84/24/587108424.db2.gz DLNCQXSZSSMLTI-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000821362204 587108425 /nfs/dbraw/zinc/10/84/25/587108425.db2.gz DLNCQXSZSSMLTI-NXEZZACHSA-N 1 2 241.287 0.720 20 0 BCADLO O=C(NC1=CC=NCC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821379222 587114064 /nfs/dbraw/zinc/11/40/64/587114064.db2.gz XCDAONNSBKPNHW-HTQZYQBOSA-N 1 2 244.254 0.674 20 0 BCADLO O=C(NC1=CC=NCC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821379222 587114065 /nfs/dbraw/zinc/11/40/65/587114065.db2.gz XCDAONNSBKPNHW-HTQZYQBOSA-N 1 2 244.254 0.674 20 0 BCADLO CC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)COC1 ZINC000821385214 587114742 /nfs/dbraw/zinc/11/47/42/587114742.db2.gz IUDJHTNKACFAFE-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO CO[C@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC000821408284 587118272 /nfs/dbraw/zinc/11/82/72/587118272.db2.gz DVOGDDHMOUAYCH-IUCAKERBSA-N 1 2 210.281 0.804 20 0 BCADLO CO[C@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC000821408284 587118273 /nfs/dbraw/zinc/11/82/73/587118273.db2.gz DVOGDDHMOUAYCH-IUCAKERBSA-N 1 2 210.281 0.804 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC000821408282 587118304 /nfs/dbraw/zinc/11/83/04/587118304.db2.gz DVOGDDHMOUAYCH-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC000821408282 587118305 /nfs/dbraw/zinc/11/83/05/587118305.db2.gz DVOGDDHMOUAYCH-BDAKNGLRSA-N 1 2 210.281 0.804 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1cnsn1 ZINC000821423402 587118707 /nfs/dbraw/zinc/11/87/07/587118707.db2.gz BNYHWKIFUNRVFN-UHFFFAOYSA-N 1 2 238.276 0.556 20 0 BCADLO CC1=NO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000821931569 587147126 /nfs/dbraw/zinc/14/71/26/587147126.db2.gz SUBCVQJTWXKNJG-SECBINFHSA-N 1 2 222.248 0.164 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821997949 587148766 /nfs/dbraw/zinc/14/87/66/587148766.db2.gz XSWDDSBMXSUUSE-RKDXNWHRSA-N 1 2 229.243 0.942 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821997949 587148767 /nfs/dbraw/zinc/14/87/67/587148767.db2.gz XSWDDSBMXSUUSE-RKDXNWHRSA-N 1 2 229.243 0.942 20 0 BCADLO CCCCC[C@@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000822114769 587154097 /nfs/dbraw/zinc/15/40/97/587154097.db2.gz IOZKFNHVCCFQSZ-LLVKDONJSA-N 1 2 228.336 0.702 20 0 BCADLO C[S@](=O)C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000822696238 587181736 /nfs/dbraw/zinc/18/17/36/587181736.db2.gz UAHQGGNABXCXTO-INIZCTEOSA-N 1 2 244.360 0.110 20 0 BCADLO C[S@@](=O)C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000822696239 587181805 /nfs/dbraw/zinc/18/18/05/587181805.db2.gz UAHQGGNABXCXTO-MRXNPFEDSA-N 1 2 244.360 0.110 20 0 BCADLO COC/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952343 587195200 /nfs/dbraw/zinc/19/52/00/587195200.db2.gz QYRMYXICSNLGKR-BYCRGOAPSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952343 587195201 /nfs/dbraw/zinc/19/52/01/587195201.db2.gz QYRMYXICSNLGKR-BYCRGOAPSA-N 1 2 242.319 0.026 20 0 BCADLO O=C1CC[C@H]([N@@H+]2Cc3cccnc3C2)C(=O)N1 ZINC000823001467 587197851 /nfs/dbraw/zinc/19/78/51/587197851.db2.gz NEPKLGARXGIYLZ-JTQLQIEISA-N 1 2 231.255 0.202 20 0 BCADLO O=C1CC[C@H]([N@H+]2Cc3cccnc3C2)C(=O)N1 ZINC000823001467 587197852 /nfs/dbraw/zinc/19/78/52/587197852.db2.gz NEPKLGARXGIYLZ-JTQLQIEISA-N 1 2 231.255 0.202 20 0 BCADLO C=C=CCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000823081542 587201706 /nfs/dbraw/zinc/20/17/06/587201706.db2.gz MJRIRNNYXTZYTI-UHFFFAOYSA-N 1 2 205.261 0.972 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000823089435 587202044 /nfs/dbraw/zinc/20/20/44/587202044.db2.gz ZHNCMBKRKCSKJC-JTQLQIEISA-N 1 2 239.319 0.978 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823145812 587205529 /nfs/dbraw/zinc/20/55/29/587205529.db2.gz RIJJMQCDYZPLOK-RKDXNWHRSA-N 1 2 221.260 0.971 20 0 BCADLO CC[C@@H]1CN(C)CC[N@@H+]1CC1OCCO1 ZINC000823195301 587207686 /nfs/dbraw/zinc/20/76/86/587207686.db2.gz UIBBCZAMTWPEEB-SNVBAGLBSA-N 1 2 214.309 0.385 20 0 BCADLO CC[C@@H]1CN(C)CC[N@H+]1CC1OCCO1 ZINC000823195301 587207687 /nfs/dbraw/zinc/20/76/87/587207687.db2.gz UIBBCZAMTWPEEB-SNVBAGLBSA-N 1 2 214.309 0.385 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC000823265119 587212856 /nfs/dbraw/zinc/21/28/56/587212856.db2.gz CXHKEDUQLKFDFN-MWLCHTKSSA-N 1 2 231.255 0.816 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(OC)OC ZINC000823313628 587215991 /nfs/dbraw/zinc/21/59/91/587215991.db2.gz BLLOHLTZHGJLCU-QMMMGPOBSA-N 1 2 241.291 0.699 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000823438481 587221669 /nfs/dbraw/zinc/22/16/69/587221669.db2.gz VNIKNDUJOPBBBT-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000823438481 587221670 /nfs/dbraw/zinc/22/16/70/587221670.db2.gz VNIKNDUJOPBBBT-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO Cn1nc2c(c1NC(=O)Cc1[nH]cc[nH+]1)CCC2 ZINC000823445701 587222517 /nfs/dbraw/zinc/22/25/17/587222517.db2.gz FOBVLAFZFPVQMQ-UHFFFAOYSA-N 1 2 245.286 0.813 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823475893 587224794 /nfs/dbraw/zinc/22/47/94/587224794.db2.gz MZZXPWMSJXNCBQ-UWVGGRQHSA-N 1 2 236.275 0.231 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823475893 587224795 /nfs/dbraw/zinc/22/47/95/587224795.db2.gz MZZXPWMSJXNCBQ-UWVGGRQHSA-N 1 2 236.275 0.231 20 0 BCADLO C[C@H]1C(=O)N(C)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000823704587 587237372 /nfs/dbraw/zinc/23/73/72/587237372.db2.gz NKSSDNUDXIEHNP-WBSSQXGSSA-N 1 2 248.286 0.080 20 0 BCADLO c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)n[nH]1 ZINC000823751935 587238992 /nfs/dbraw/zinc/23/89/92/587238992.db2.gz SFHAXLZKORXUCW-UHFFFAOYSA-N 1 2 245.246 0.473 20 0 BCADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629259 587280301 /nfs/dbraw/zinc/28/03/01/587280301.db2.gz RMHOLVRTAKDKMD-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629259 587280302 /nfs/dbraw/zinc/28/03/02/587280302.db2.gz RMHOLVRTAKDKMD-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2COC(=O)N2)c(C)c[nH+]1 ZINC000860309145 589093927 /nfs/dbraw/zinc/09/39/27/589093927.db2.gz PXELVMCXKIDAFU-VIFPVBQESA-N 1 2 235.243 0.167 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000824828746 587289266 /nfs/dbraw/zinc/28/92/66/587289266.db2.gz DWSNRXXEGHEZCW-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000824828746 587289268 /nfs/dbraw/zinc/28/92/68/587289268.db2.gz DWSNRXXEGHEZCW-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000824960195 587295059 /nfs/dbraw/zinc/29/50/59/587295059.db2.gz SWEDQVOYHRCYHY-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO Cc1nc(F)ccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000824960195 587295060 /nfs/dbraw/zinc/29/50/60/587295060.db2.gz SWEDQVOYHRCYHY-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO C[C@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[NH+](C)C ZINC000824973757 587295943 /nfs/dbraw/zinc/29/59/43/587295943.db2.gz NMKIUCXZTKVWBX-RKDXNWHRSA-N 1 2 215.297 0.278 20 0 BCADLO C[C@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1(CO)CC1 ZINC000825009414 587298672 /nfs/dbraw/zinc/29/86/72/587298672.db2.gz IFRWQANDDGELNF-FSIBCCDJSA-N 1 2 249.314 0.711 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825119478 587305423 /nfs/dbraw/zinc/30/54/23/587305423.db2.gz CRJKFGJSCKMWAD-QMMMGPOBSA-N 1 2 248.290 0.753 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825387978 587317786 /nfs/dbraw/zinc/31/77/86/587317786.db2.gz SQGCNIQUCSFRLN-FNSKHJIESA-N 1 2 249.314 0.805 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(=O)cc[nH]1 ZINC000825514168 587322842 /nfs/dbraw/zinc/32/28/42/587322842.db2.gz YIUQCTSPGUYYBF-VIFPVBQESA-N 1 2 244.254 0.446 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C)CC=CC1 ZINC000825527448 587323564 /nfs/dbraw/zinc/32/35/64/587323564.db2.gz OODAVHYMCMDKDV-JTQLQIEISA-N 1 2 249.314 0.926 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825544918 587324675 /nfs/dbraw/zinc/32/46/75/587324675.db2.gz POEUCHTZAOIVGK-LDYMZIIASA-N 1 2 225.292 0.758 20 0 BCADLO Cc1nn(C)cc1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825738329 587335304 /nfs/dbraw/zinc/33/53/04/587335304.db2.gz LUHVHPQHDTYGJG-QMMMGPOBSA-N 1 2 247.302 0.872 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@@H+]1C1CC1 ZINC000825852992 587341940 /nfs/dbraw/zinc/34/19/40/587341940.db2.gz SAQNHKAGMFEPSY-RKDXNWHRSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@H+]1C1CC1 ZINC000825852992 587341941 /nfs/dbraw/zinc/34/19/41/587341941.db2.gz SAQNHKAGMFEPSY-RKDXNWHRSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047519 587349328 /nfs/dbraw/zinc/34/93/28/587349328.db2.gz DTOFJVYKDKORRD-KOLCDFICSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C(=O)[O-])C1CC1 ZINC000826047519 587349329 /nfs/dbraw/zinc/34/93/29/587349329.db2.gz DTOFJVYKDKORRD-KOLCDFICSA-N 1 2 241.335 0.669 20 0 BCADLO Cc1cc[nH+]c(N(C)C[C@H](C)O)c1-c1nn[nH]n1 ZINC000826309617 587352122 /nfs/dbraw/zinc/35/21/22/587352122.db2.gz VSLOMGTYMSLYRO-QMMMGPOBSA-N 1 2 248.290 0.387 20 0 BCADLO c1cn(Cc2ccnc(-c3nn[nH]n3)c2)c[nH+]1 ZINC000826524667 587353797 /nfs/dbraw/zinc/35/37/97/587353797.db2.gz DSQXWHMMWWNNKE-UHFFFAOYSA-N 1 2 227.231 0.507 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000826660745 587358230 /nfs/dbraw/zinc/35/82/30/587358230.db2.gz XQGCHCJZUMONEP-KYZUINATSA-N 1 2 231.255 0.816 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C=O ZINC000826766601 587361494 /nfs/dbraw/zinc/36/14/94/587361494.db2.gz SEGQZZMWHOUENE-LLVKDONJSA-N 1 2 233.271 0.371 20 0 BCADLO CCN(CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827150565 587371308 /nfs/dbraw/zinc/37/13/08/587371308.db2.gz IEBBDVHDLOLWQM-UWVGGRQHSA-N 1 2 229.324 0.526 20 0 BCADLO CCN(CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[O-] ZINC000827150565 587371309 /nfs/dbraw/zinc/37/13/09/587371309.db2.gz IEBBDVHDLOLWQM-UWVGGRQHSA-N 1 2 229.324 0.526 20 0 BCADLO CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198963 587372648 /nfs/dbraw/zinc/37/26/48/587372648.db2.gz MQYLTAQOXVTBNT-NXEZZACHSA-N 1 2 243.351 0.962 20 0 BCADLO CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)NC(=O)[O-])C1 ZINC000827198963 587372649 /nfs/dbraw/zinc/37/26/49/587372649.db2.gz MQYLTAQOXVTBNT-NXEZZACHSA-N 1 2 243.351 0.962 20 0 BCADLO CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214795 587373209 /nfs/dbraw/zinc/37/32/09/587373209.db2.gz JAKWYFHJMHMIGA-GHMZBOCLSA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214795 587373210 /nfs/dbraw/zinc/37/32/10/587373210.db2.gz JAKWYFHJMHMIGA-GHMZBOCLSA-N 1 2 241.335 0.813 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cocn1 ZINC000827340620 587377609 /nfs/dbraw/zinc/37/76/09/587377609.db2.gz MNKRCJMEYBCRHY-UHFFFAOYSA-N 1 2 227.264 0.805 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cocn1 ZINC000827340620 587377610 /nfs/dbraw/zinc/37/76/10/587377610.db2.gz MNKRCJMEYBCRHY-UHFFFAOYSA-N 1 2 227.264 0.805 20 0 BCADLO CC1=NO[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000827390661 587379338 /nfs/dbraw/zinc/37/93/38/587379338.db2.gz ZYTOVZSRURSXSP-SNVBAGLBSA-N 1 2 219.244 0.915 20 0 BCADLO CCOC(=O)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000827569849 587388967 /nfs/dbraw/zinc/38/89/67/587388967.db2.gz HGPXSGBDNWDLTD-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO CO[C@H]1C[C@@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827715819 587398937 /nfs/dbraw/zinc/39/89/37/587398937.db2.gz MMQHLGRKHAOUEW-BGASPPILSA-N 1 2 249.314 0.975 20 0 BCADLO CC1=NO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000827769875 587401699 /nfs/dbraw/zinc/40/16/99/587401699.db2.gz UYODZFDOCYXODE-JTQLQIEISA-N 1 2 234.259 0.431 20 0 BCADLO CC1=NO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000827769876 587401764 /nfs/dbraw/zinc/40/17/64/587401764.db2.gz UYODZFDOCYXODE-SNVBAGLBSA-N 1 2 234.259 0.431 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000827837861 587405172 /nfs/dbraw/zinc/40/51/72/587405172.db2.gz MVDBKRRYQNNYJC-NSHDSACASA-N 1 2 242.319 0.178 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000827837861 587405174 /nfs/dbraw/zinc/40/51/74/587405174.db2.gz MVDBKRRYQNNYJC-NSHDSACASA-N 1 2 242.319 0.178 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000827936156 587411079 /nfs/dbraw/zinc/41/10/79/587411079.db2.gz FTPRMYDRMOIEEB-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000827936156 587411080 /nfs/dbraw/zinc/41/10/80/587411080.db2.gz FTPRMYDRMOIEEB-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO C[NH+](C)C(C)(C)C[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000827993222 587415291 /nfs/dbraw/zinc/41/52/91/587415291.db2.gz BOPWWIPEZRFSMJ-VIFPVBQESA-N 1 2 229.324 0.669 20 0 BCADLO C[NH+](C)[C@@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000827993132 587415546 /nfs/dbraw/zinc/41/55/46/587415546.db2.gz ABCGZXJVVSYHPH-QWRGUYRKSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[S@](C)=O ZINC000828127182 587419944 /nfs/dbraw/zinc/41/99/44/587419944.db2.gz FVZCAUICSSRXRM-RULNRJAQSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[S@](C)=O ZINC000828127182 587419945 /nfs/dbraw/zinc/41/99/45/587419945.db2.gz FVZCAUICSSRXRM-RULNRJAQSA-N 1 2 218.366 0.389 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC[S@](C)=O)CC2 ZINC000828211172 587424123 /nfs/dbraw/zinc/42/41/23/587424123.db2.gz IEIICIIVIDWZIP-HNNXBMFYSA-N 1 2 227.333 0.386 20 0 BCADLO C[C@@H](O)[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828300027 587433080 /nfs/dbraw/zinc/43/30/80/587433080.db2.gz OVZWHCVFCFFMLC-RDDDGLTNSA-N 1 2 249.270 0.034 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000828313171 587434475 /nfs/dbraw/zinc/43/44/75/587434475.db2.gz MZQSQLOOVQQKFB-YGRLFVJLSA-N 1 2 217.334 0.476 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000828313171 587434477 /nfs/dbraw/zinc/43/44/77/587434477.db2.gz MZQSQLOOVQQKFB-YGRLFVJLSA-N 1 2 217.334 0.476 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC[S@@](C)=O ZINC000828322524 587434818 /nfs/dbraw/zinc/43/48/18/587434818.db2.gz DJBNOQSLSJZDLR-ZUZCIYMTSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC[S@@](C)=O ZINC000828322524 587434819 /nfs/dbraw/zinc/43/48/19/587434819.db2.gz DJBNOQSLSJZDLR-ZUZCIYMTSA-N 1 2 233.333 0.392 20 0 BCADLO C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480196 587444962 /nfs/dbraw/zinc/44/49/62/587444962.db2.gz DZGRUEKVMWJAIM-UWVGGRQHSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480196 587444963 /nfs/dbraw/zinc/44/49/63/587444963.db2.gz DZGRUEKVMWJAIM-UWVGGRQHSA-N 1 2 227.308 0.423 20 0 BCADLO CCC[C@H](O)C[N@H+](C)CCS(=O)(=O)CC ZINC000828505180 587446236 /nfs/dbraw/zinc/44/62/36/587446236.db2.gz HPJAXCUDVDUVKD-JTQLQIEISA-N 1 2 237.365 0.514 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)CCS(=O)(=O)CC ZINC000828505180 587446238 /nfs/dbraw/zinc/44/62/38/587446238.db2.gz HPJAXCUDVDUVKD-JTQLQIEISA-N 1 2 237.365 0.514 20 0 BCADLO COCCOC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828733080 587458879 /nfs/dbraw/zinc/45/88/79/587458879.db2.gz ZFXWXEIVTDVLED-VIFPVBQESA-N 1 2 241.291 0.120 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC[S@@](C)=O ZINC000828754611 587460238 /nfs/dbraw/zinc/46/02/38/587460238.db2.gz AXYRATNHNHGHHZ-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@H+]1CC[S@@](C)=O ZINC000828754611 587460239 /nfs/dbraw/zinc/46/02/39/587460239.db2.gz AXYRATNHNHGHHZ-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC[S@](C)=O ZINC000828992716 587478204 /nfs/dbraw/zinc/47/82/04/587478204.db2.gz XQOLREBKSXHKBX-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC[S@](C)=O ZINC000828992716 587478205 /nfs/dbraw/zinc/47/82/05/587478205.db2.gz XQOLREBKSXHKBX-HWPZZCPQSA-N 1 2 246.376 0.308 20 0 BCADLO Cc1nnn(NC(=O)/C=C/c2cn(C)c[nH+]2)c1C ZINC000829012837 587479456 /nfs/dbraw/zinc/47/94/56/587479456.db2.gz DTDMDKCTGDHKRH-SNAWJCMRSA-N 1 2 246.274 0.412 20 0 BCADLO C[C@H](O)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169377 587486550 /nfs/dbraw/zinc/48/65/50/587486550.db2.gz OEKVEVOCVDNQGE-ZETCQYMHSA-N 1 2 227.695 0.869 20 0 BCADLO C[C@H](O)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169377 587486551 /nfs/dbraw/zinc/48/65/51/587486551.db2.gz OEKVEVOCVDNQGE-ZETCQYMHSA-N 1 2 227.695 0.869 20 0 BCADLO C[C@](O)(CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000829279208 587490760 /nfs/dbraw/zinc/49/07/60/587490760.db2.gz ISHZMIUMUCKWDE-NSHDSACASA-N 1 2 223.276 0.229 20 0 BCADLO Cn1cccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829359936 587493702 /nfs/dbraw/zinc/49/37/02/587493702.db2.gz KYAULOPMYVEAFM-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO C/C=C/C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471930 587499207 /nfs/dbraw/zinc/49/92/07/587499207.db2.gz JILPJHNIYIOPGE-ONEGZZNKSA-N 1 2 220.276 0.843 20 0 BCADLO C/C=C/C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471930 587499205 /nfs/dbraw/zinc/49/92/05/587499205.db2.gz JILPJHNIYIOPGE-ONEGZZNKSA-N 1 2 220.276 0.843 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472787 587499404 /nfs/dbraw/zinc/49/94/04/587499404.db2.gz SACMBCQELITLFJ-SCZZXKLOSA-N 1 2 234.303 0.923 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472787 587499405 /nfs/dbraw/zinc/49/94/05/587499405.db2.gz SACMBCQELITLFJ-SCZZXKLOSA-N 1 2 234.303 0.923 20 0 BCADLO CC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC000829851763 587524119 /nfs/dbraw/zinc/52/41/19/587524119.db2.gz KSORNDMGVYAAAP-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO CC(C)C[C@H](C(=O)N1CC=C(N)N1)n1cc[nH+]c1 ZINC000829853686 587524739 /nfs/dbraw/zinc/52/47/39/587524739.db2.gz YHENSJZWLFFYPN-SNVBAGLBSA-N 1 2 249.318 0.617 20 0 BCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830122420 587537442 /nfs/dbraw/zinc/53/74/42/587537442.db2.gz XBZJPFXBPKVVCQ-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000830131132 587538333 /nfs/dbraw/zinc/53/83/33/587538333.db2.gz PFPPZRGFKNNFFW-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000830131132 587538335 /nfs/dbraw/zinc/53/83/35/587538335.db2.gz PFPPZRGFKNNFFW-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000830131145 587538373 /nfs/dbraw/zinc/53/83/73/587538373.db2.gz PPNJLEYRJPXCIK-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000830131145 587538375 /nfs/dbraw/zinc/53/83/75/587538375.db2.gz PPNJLEYRJPXCIK-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CN(Cc1cccn1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000830174576 587540330 /nfs/dbraw/zinc/54/03/30/587540330.db2.gz NRXFQKHLNYXNPT-UHFFFAOYSA-N 1 2 232.287 0.949 20 0 BCADLO CCC[C@@H](CCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830304398 587545228 /nfs/dbraw/zinc/54/52/28/587545228.db2.gz ZOYNLVIZVUPRHJ-JTQLQIEISA-N 1 2 239.319 0.867 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000830397328 587549454 /nfs/dbraw/zinc/54/94/54/587549454.db2.gz SELZZZOAMASBEB-SSDOTTSWSA-N 1 2 239.279 0.236 20 0 BCADLO CCOc1n[nH]c(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000830397328 587549455 /nfs/dbraw/zinc/54/94/55/587549455.db2.gz SELZZZOAMASBEB-SSDOTTSWSA-N 1 2 239.279 0.236 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000830623464 587560955 /nfs/dbraw/zinc/56/09/55/587560955.db2.gz RVDJVXUCFLDXNS-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000830623464 587560956 /nfs/dbraw/zinc/56/09/56/587560956.db2.gz RVDJVXUCFLDXNS-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO C[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830928090 587577847 /nfs/dbraw/zinc/57/78/47/587577847.db2.gz GYRXZMIEZZIDEE-SECBINFHSA-N 1 2 223.276 0.507 20 0 BCADLO C[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000830928090 587577848 /nfs/dbraw/zinc/57/78/48/587577848.db2.gz GYRXZMIEZZIDEE-SECBINFHSA-N 1 2 223.276 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000831058256 587584142 /nfs/dbraw/zinc/58/41/42/587584142.db2.gz CDESMGNDCCYZJM-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000831058256 587584144 /nfs/dbraw/zinc/58/41/44/587584144.db2.gz CDESMGNDCCYZJM-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NOC)C12CCC2 ZINC000831308855 587597333 /nfs/dbraw/zinc/59/73/33/587597333.db2.gz QSCQWPMMFPGZDV-NXEZZACHSA-N 1 2 242.319 0.601 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000831352816 587600414 /nfs/dbraw/zinc/60/04/14/587600414.db2.gz CPTHDGYWYQDXAI-NXEZZACHSA-N 1 2 244.335 0.846 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N(CCCO)C1CC1 ZINC000831450494 587608328 /nfs/dbraw/zinc/60/83/28/587608328.db2.gz XVQRHAVICFLEJB-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831606615 587622572 /nfs/dbraw/zinc/62/25/72/587622572.db2.gz FNCXPDUTTJWCLY-VHSXEESVSA-N 1 2 235.287 0.844 20 0 BCADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831608014 587623197 /nfs/dbraw/zinc/62/31/97/587623197.db2.gz YZJVYYKJSPFXFC-YTWAJWBKSA-N 1 2 247.298 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O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCC(=O)C1 ZINC000842781603 588063165 /nfs/dbraw/zinc/06/31/65/588063165.db2.gz ZCMUWUHWTRRWLQ-GXSJLCMTSA-N 1 2 243.278 0.943 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000842912797 588071494 /nfs/dbraw/zinc/07/14/94/588071494.db2.gz WPVXGLLXSKWEEF-MVWJERBFSA-N 1 2 237.303 0.791 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000842912798 588071715 /nfs/dbraw/zinc/07/17/15/588071715.db2.gz WPVXGLLXSKWEEF-YUSALJHKSA-N 1 2 237.303 0.791 20 0 BCADLO CC[NH2+]Cc1noc(CNC(=O)C(C)(C)C)n1 ZINC000843145829 588086900 /nfs/dbraw/zinc/08/69/00/588086900.db2.gz ROYVFEHQSJATSS-UHFFFAOYSA-N 1 2 240.307 0.841 20 0 BCADLO C[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000843402336 588106103 /nfs/dbraw/zinc/10/61/03/588106103.db2.gz BVXYUGBWRSWFTF-YUMQZZPRSA-N 1 2 226.280 0.403 20 0 BCADLO Cn1ncc(C[NH+]2CC(C)(C(N)=O)C2)c1Cl ZINC000843415975 588106977 /nfs/dbraw/zinc/10/69/77/588106977.db2.gz OBSCTHVZEUWFLA-UHFFFAOYSA-N 1 2 242.710 0.381 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cc(F)ncc2F)C1 ZINC000843415835 588107114 /nfs/dbraw/zinc/10/71/14/588107114.db2.gz LBDMNGNBUYGOQN-UHFFFAOYSA-N 1 2 241.241 0.667 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)C1(F)CC1 ZINC000843602664 588128765 /nfs/dbraw/zinc/12/87/65/588128765.db2.gz VNOQFGIMFSDFKG-ZETCQYMHSA-N 1 2 209.224 0.946 20 0 BCADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1(F)CC1 ZINC000843606070 588129313 /nfs/dbraw/zinc/12/93/13/588129313.db2.gz FXDDUGDKPWJCLT-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1(F)CC1 ZINC000843750397 588137250 /nfs/dbraw/zinc/13/72/50/588137250.db2.gz SKJKKHPZLKCWMA-UHFFFAOYSA-N 1 2 211.240 0.892 20 0 BCADLO COCC[NH+]1CCN(C(=O)C2(F)CC2)CC1 ZINC000843797477 588141229 /nfs/dbraw/zinc/14/12/29/588141229.db2.gz WPMOUXUKMBQEJZ-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC(=O)C1 ZINC000843883532 588147211 /nfs/dbraw/zinc/14/72/11/588147211.db2.gz HIDGVOPYAFTMST-UWVGGRQHSA-N 1 2 247.298 0.683 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2=CCCCO2)c[nH+]1 ZINC000843884009 588147213 /nfs/dbraw/zinc/14/72/13/588147213.db2.gz NYJURZIWCQONRW-UHFFFAOYSA-N 1 2 248.286 0.678 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(F)CC1 ZINC000843883040 588147439 /nfs/dbraw/zinc/14/74/39/588147439.db2.gz ACSXSPIJFYVXFQ-QMMMGPOBSA-N 1 2 223.251 0.816 20 0 BCADLO CS/C=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000843885460 588147904 /nfs/dbraw/zinc/14/79/04/588147904.db2.gz YTPZEUWZVWYGTI-ONEGZZNKSA-N 1 2 238.316 0.860 20 0 BCADLO CCON(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000844075927 588160071 /nfs/dbraw/zinc/16/00/71/588160071.db2.gz DHHLHSBDQYFJBW-JTQLQIEISA-N 1 2 230.308 0.506 20 0 BCADLO CCON(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000844075927 588160072 /nfs/dbraw/zinc/16/00/72/588160072.db2.gz DHHLHSBDQYFJBW-JTQLQIEISA-N 1 2 230.308 0.506 20 0 BCADLO CCON(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000844075928 588160282 /nfs/dbraw/zinc/16/02/82/588160282.db2.gz DHHLHSBDQYFJBW-SNVBAGLBSA-N 1 2 230.308 0.506 20 0 BCADLO CCON(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000844075928 588160284 /nfs/dbraw/zinc/16/02/84/588160284.db2.gz DHHLHSBDQYFJBW-SNVBAGLBSA-N 1 2 230.308 0.506 20 0 BCADLO CCCONC(=O)CN1CC[NH+](CC)CC1 ZINC000844085131 588163117 /nfs/dbraw/zinc/16/31/17/588163117.db2.gz LHIHBJQEBPMLLW-UHFFFAOYSA-N 1 2 229.324 0.082 20 0 BCADLO CCCONC(=O)CC[NH+]1CCN(CC)CC1 ZINC000844085986 588163790 /nfs/dbraw/zinc/16/37/90/588163790.db2.gz HQJRFYFWFIRNOX-UHFFFAOYSA-N 1 2 243.351 0.472 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844137875 588169989 /nfs/dbraw/zinc/16/99/89/588169989.db2.gz CVBGTXXOJRWZGV-ZYHUDNBSSA-N 1 2 249.314 0.333 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)c1ccccn1 ZINC000844257783 588177772 /nfs/dbraw/zinc/17/77/72/588177772.db2.gz RDTPIHKGVLTAMR-UHFFFAOYSA-N 1 2 236.271 0.571 20 0 BCADLO c1c(C[N@@H+]2CCC3(C2)OCCO3)nn2c1CCC2 ZINC000844306948 588182809 /nfs/dbraw/zinc/18/28/09/588182809.db2.gz MPVCWUYNOJWNPN-UHFFFAOYSA-N 1 2 249.314 0.778 20 0 BCADLO c1c(C[N@H+]2CCC3(C2)OCCO3)nn2c1CCC2 ZINC000844306948 588182810 /nfs/dbraw/zinc/18/28/10/588182810.db2.gz MPVCWUYNOJWNPN-UHFFFAOYSA-N 1 2 249.314 0.778 20 0 BCADLO C[N@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CC(C)(C)OC1=O ZINC000844330675 588185493 /nfs/dbraw/zinc/18/54/93/588185493.db2.gz AWAKLBAKBQUJNS-DTWKUNHWSA-N 1 2 240.303 0.291 20 0 BCADLO C[N@@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CC(C)(C)OC1=O ZINC000844330675 588185495 /nfs/dbraw/zinc/18/54/95/588185495.db2.gz AWAKLBAKBQUJNS-DTWKUNHWSA-N 1 2 240.303 0.291 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)C2(CCC2)CO1 ZINC000844422489 588191710 /nfs/dbraw/zinc/19/17/10/588191710.db2.gz NJLXUZHIGZNYSZ-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2(CCC2)CO1 ZINC000844422489 588191712 /nfs/dbraw/zinc/19/17/12/588191712.db2.gz NJLXUZHIGZNYSZ-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448532 588194677 /nfs/dbraw/zinc/19/46/77/588194677.db2.gz BPSSTJNNADYZAY-OCAPTIKFSA-N 1 2 239.287 0.618 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448532 588194678 /nfs/dbraw/zinc/19/46/78/588194678.db2.gz BPSSTJNNADYZAY-OCAPTIKFSA-N 1 2 239.287 0.618 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463978 588197257 /nfs/dbraw/zinc/19/72/57/588197257.db2.gz ULYMVKCJFGGZEK-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463978 588197258 /nfs/dbraw/zinc/19/72/58/588197258.db2.gz ULYMVKCJFGGZEK-OCAPTIKFSA-N 1 2 214.219 0.512 20 0 BCADLO CCn1ccc(CC(=O)NCc2c[nH+]cn2C)n1 ZINC000844537463 588201087 /nfs/dbraw/zinc/20/10/87/588201087.db2.gz JXLLHJJHXAHVSP-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CCC[NH+](CCC)Cn1nc(C)n(C)c1=O ZINC000844682288 588213118 /nfs/dbraw/zinc/21/31/18/588213118.db2.gz DJCJTDUZQQORBM-UHFFFAOYSA-N 1 2 226.324 0.970 20 0 BCADLO Cc1nn(C[NH+]2CCCCC2)c(=O)n1C ZINC000844677689 588213509 /nfs/dbraw/zinc/21/35/09/588213509.db2.gz UXJRSIWOMDIDPM-UHFFFAOYSA-N 1 2 210.281 0.334 20 0 BCADLO Cc1nn(C[N@@H+](CC2CC2)C(C)C)c(=O)n1C ZINC000844687374 588213702 /nfs/dbraw/zinc/21/37/02/588213702.db2.gz ZFMJVSOJPGFZEB-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@H+](CC2CC2)C(C)C)c(=O)n1C ZINC000844687374 588213705 /nfs/dbraw/zinc/21/37/05/588213705.db2.gz ZFMJVSOJPGFZEB-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO CC[C@]1(C)CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844697902 588214219 /nfs/dbraw/zinc/21/42/19/588214219.db2.gz SSUBVYKJNWFEAM-GFCCVEGCSA-N 1 2 238.335 0.970 20 0 BCADLO CC[C@]1(C)CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844697902 588214220 /nfs/dbraw/zinc/21/42/20/588214220.db2.gz SSUBVYKJNWFEAM-GFCCVEGCSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@H+](C)CC(C)(C)C)c(=O)n1C ZINC000844695196 588214436 /nfs/dbraw/zinc/21/44/36/588214436.db2.gz SPVORBRGHJGXLM-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO Cc1nn(C[N@@H+](C)CC(C)(C)C)c(=O)n1C ZINC000844695196 588214438 /nfs/dbraw/zinc/21/44/38/588214438.db2.gz SPVORBRGHJGXLM-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1cc2n(n1)CCC2 ZINC000844765110 588216440 /nfs/dbraw/zinc/21/64/40/588216440.db2.gz RTGJNBHGONVKMD-QMMMGPOBSA-N 1 2 238.291 0.863 20 0 BCADLO CC[NH2+]Cc1noc(Cc2ccn(CC)n2)n1 ZINC000844905605 588218852 /nfs/dbraw/zinc/21/88/52/588218852.db2.gz FDBHPDSQNVURII-UHFFFAOYSA-N 1 2 235.291 0.986 20 0 BCADLO C[C@@H](O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284530 588225708 /nfs/dbraw/zinc/22/57/08/588225708.db2.gz NDMORWQOXAGLRH-DTWKUNHWSA-N 1 2 212.249 0.758 20 0 BCADLO Cc1nonc1CC(=O)Nc1cc[nH+]cc1C ZINC000845455135 588229714 /nfs/dbraw/zinc/22/97/14/588229714.db2.gz OQOMCXXUDDANKB-UHFFFAOYSA-N 1 2 232.243 0.685 20 0 BCADLO COC/C(C)=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000845478094 588229889 /nfs/dbraw/zinc/22/98/89/588229889.db2.gz VEWYFAWSFZOLFX-CLFYSBASSA-N 1 2 223.276 0.661 20 0 BCADLO CNC(=O)CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845480879 588230094 /nfs/dbraw/zinc/23/00/94/588230094.db2.gz QTLZRMNFSWMSQT-SECBINFHSA-N 1 2 239.275 0.514 20 0 BCADLO CC(C)c1nc(NCCn2cnnn2)cc[nH+]1 ZINC000845575607 588233762 /nfs/dbraw/zinc/23/37/62/588233762.db2.gz XINAUNMYZSEJEX-UHFFFAOYSA-N 1 2 233.279 0.699 20 0 BCADLO CCONC(=O)CNc1cccc(C)[nH+]1 ZINC000845713739 588242095 /nfs/dbraw/zinc/24/20/95/588242095.db2.gz OMGQBAASNWUIRF-UHFFFAOYSA-N 1 2 209.249 0.870 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845961732 588251948 /nfs/dbraw/zinc/25/19/48/588251948.db2.gz OKSRPQXKSBTRAM-HUYFXPKMSA-N 1 2 249.314 0.907 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cc(C)on1 ZINC000846065498 588255260 /nfs/dbraw/zinc/25/52/60/588255260.db2.gz WJYVFUGMINHLRZ-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCONC(=O)C[NH2+]C[C@@H]1CCSC1 ZINC000846086786 588255919 /nfs/dbraw/zinc/25/59/19/588255919.db2.gz OXKRBNLNPWFIPG-QMMMGPOBSA-N 1 2 218.322 0.397 20 0 BCADLO CCONC(=O)C[NH2+]C1CCC(COC)CC1 ZINC000846082393 588255928 /nfs/dbraw/zinc/25/59/28/588255928.db2.gz PCKUUYULUKLXCO-UHFFFAOYSA-N 1 2 244.335 0.849 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000846084518 588256077 /nfs/dbraw/zinc/25/60/77/588256077.db2.gz FEASODXFZDJCBJ-UWVGGRQHSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000846090694 588256133 /nfs/dbraw/zinc/25/61/33/588256133.db2.gz CWUSMQKPRHEDSQ-ZJUUUORDSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000846090451 588256258 /nfs/dbraw/zinc/25/62/58/588256258.db2.gz ASPVEXXMMJZEOW-VIFPVBQESA-N 1 2 226.276 0.868 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000846089769 588256443 /nfs/dbraw/zinc/25/64/43/588256443.db2.gz VIPWTMWUNQBODP-RKDXNWHRSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000846090918 588256450 /nfs/dbraw/zinc/25/64/50/588256450.db2.gz NBTIXAHNZWLUBD-SFYZADRCSA-N 1 2 218.322 0.538 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n(C)n1 ZINC000846102391 588256527 /nfs/dbraw/zinc/25/65/27/588256527.db2.gz FFCHHXIVBQJXCV-XMZIXOGTSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n(C)n1 ZINC000846102391 588256528 /nfs/dbraw/zinc/25/65/28/588256528.db2.gz FFCHHXIVBQJXCV-XMZIXOGTSA-N 1 2 239.344 0.434 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)nc1 ZINC000846102352 588256702 /nfs/dbraw/zinc/25/67/02/588256702.db2.gz DJIZPPJRVDLAFF-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)nc1 ZINC000846102352 588256703 /nfs/dbraw/zinc/25/67/03/588256703.db2.gz DJIZPPJRVDLAFF-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000846110065 588256859 /nfs/dbraw/zinc/25/68/59/588256859.db2.gz HHUWJHUCQGMXSF-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000846110065 588256860 /nfs/dbraw/zinc/25/68/60/588256860.db2.gz HHUWJHUCQGMXSF-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO COCCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846141447 588258606 /nfs/dbraw/zinc/25/86/06/588258606.db2.gz IZJQIBJGLPZGAS-SNVBAGLBSA-N 1 2 241.291 0.919 20 0 BCADLO CCOC(C[NH+]1CCN(C(C)=O)CC1)OCC ZINC000106365117 588269041 /nfs/dbraw/zinc/26/90/41/588269041.db2.gz ZZRQPQXPKYQNSV-UHFFFAOYSA-N 1 2 244.335 0.550 20 0 BCADLO CNC(=O)C[N@H+](C)CC1(Br)CC1 ZINC000846768622 588286851 /nfs/dbraw/zinc/28/68/51/588286851.db2.gz APIZQBNQIBIZQQ-UHFFFAOYSA-N 1 2 235.125 0.592 20 0 BCADLO CNC(=O)C[N@@H+](C)CC1(Br)CC1 ZINC000846768622 588286852 /nfs/dbraw/zinc/28/68/52/588286852.db2.gz APIZQBNQIBIZQQ-UHFFFAOYSA-N 1 2 235.125 0.592 20 0 BCADLO C[N@H+](CC(N)=O)CC1(Br)CC1 ZINC000846771705 588287329 /nfs/dbraw/zinc/28/73/29/588287329.db2.gz KUXDBDHTMKOMJE-UHFFFAOYSA-N 1 2 221.098 0.331 20 0 BCADLO C[N@@H+](CC(N)=O)CC1(Br)CC1 ZINC000846771705 588287330 /nfs/dbraw/zinc/28/73/30/588287330.db2.gz KUXDBDHTMKOMJE-UHFFFAOYSA-N 1 2 221.098 0.331 20 0 BCADLO CN(C)C(=O)C[N@H+](C)CC1(Br)CC1 ZINC000846770911 588287486 /nfs/dbraw/zinc/28/74/86/588287486.db2.gz FSLOYVSLVDAMFA-UHFFFAOYSA-N 1 2 249.152 0.934 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)CC1(Br)CC1 ZINC000846770911 588287487 /nfs/dbraw/zinc/28/74/87/588287487.db2.gz FSLOYVSLVDAMFA-UHFFFAOYSA-N 1 2 249.152 0.934 20 0 BCADLO CCNC(=O)C[N@H+](C)CC1(Br)CC1 ZINC000846776199 588287687 /nfs/dbraw/zinc/28/76/87/588287687.db2.gz MPMXAJSRKZTDPN-UHFFFAOYSA-N 1 2 249.152 0.982 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC1(Br)CC1 ZINC000846776199 588287688 /nfs/dbraw/zinc/28/76/88/588287688.db2.gz MPMXAJSRKZTDPN-UHFFFAOYSA-N 1 2 249.152 0.982 20 0 BCADLO CN(CC[NH+]1CCOCC1)Cc1cnsn1 ZINC000846796235 588288989 /nfs/dbraw/zinc/28/89/89/588288989.db2.gz GKSWPDDKXLYTLE-UHFFFAOYSA-N 1 2 242.348 0.302 20 0 BCADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cnsn1 ZINC000846862116 588294217 /nfs/dbraw/zinc/29/42/17/588294217.db2.gz OJWOOQLKOOPANG-VHSXEESVSA-N 1 2 243.332 0.822 20 0 BCADLO COC[C@@H]([NH2+]Cc1cnsn1)[C@H]1CCCO1 ZINC000846880059 588295120 /nfs/dbraw/zinc/29/51/20/588295120.db2.gz QHGUKBSARGEIIK-NXEZZACHSA-N 1 2 243.332 0.822 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCOCC23CC3)OC1=O ZINC000846893997 588295866 /nfs/dbraw/zinc/29/58/66/588295866.db2.gz NRRCGDAKNPOCJG-JTQLQIEISA-N 1 2 240.303 0.692 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCOCC23CC3)OC1=O ZINC000846893997 588295867 /nfs/dbraw/zinc/29/58/67/588295867.db2.gz NRRCGDAKNPOCJG-JTQLQIEISA-N 1 2 240.303 0.692 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CCOC[C@@H]2C)OC1=O ZINC000846928568 588297172 /nfs/dbraw/zinc/29/71/72/588297172.db2.gz CYBCCYHEGSEWOX-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CCOC[C@@H]2C)OC1=O ZINC000846928568 588297173 /nfs/dbraw/zinc/29/71/73/588297173.db2.gz CYBCCYHEGSEWOX-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO OCC(CO)[NH2+]Cc1csc(Cl)n1 ZINC000846942720 588297675 /nfs/dbraw/zinc/29/76/75/588297675.db2.gz XAZYPELANGJXRJ-UHFFFAOYSA-N 1 2 222.697 0.239 20 0 BCADLO CON1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000846971097 588299354 /nfs/dbraw/zinc/29/93/54/588299354.db2.gz KNIWGWYVOYBFAD-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO COc1cccc(C[NH+]2CCN(OC)CC2)n1 ZINC000846977906 588300087 /nfs/dbraw/zinc/30/00/87/588300087.db2.gz VGLXZJRENOYWCM-UHFFFAOYSA-N 1 2 237.303 0.769 20 0 BCADLO CON1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000846978861 588300129 /nfs/dbraw/zinc/30/01/29/588300129.db2.gz ZGUKLKZTQCPFIB-UHFFFAOYSA-N 1 2 241.335 0.082 20 0 BCADLO CON1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000846979215 588300131 /nfs/dbraw/zinc/30/01/31/588300131.db2.gz DQJDOIICDOSAGK-LBPRGKRZSA-N 1 2 249.314 0.392 20 0 BCADLO CC[C@H](C)NC(=O)C[NH+]1CCN(OC)CC1 ZINC000846983143 588300264 /nfs/dbraw/zinc/30/02/64/588300264.db2.gz NVZWKUPQVHUATP-JTQLQIEISA-N 1 2 229.324 0.080 20 0 BCADLO CCn1nc(C)c(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000847104380 588306291 /nfs/dbraw/zinc/30/62/91/588306291.db2.gz IYWHBXHZWQAMDN-VIFPVBQESA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000847104380 588306292 /nfs/dbraw/zinc/30/62/92/588306292.db2.gz IYWHBXHZWQAMDN-VIFPVBQESA-N 1 2 238.335 0.952 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000847548204 588316912 /nfs/dbraw/zinc/31/69/12/588316912.db2.gz IMDWLVASJHFUKS-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000847548204 588316914 /nfs/dbraw/zinc/31/69/14/588316914.db2.gz IMDWLVASJHFUKS-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C1CC1 ZINC000847643892 588321755 /nfs/dbraw/zinc/32/17/55/588321755.db2.gz IOTARWGKIQVVNG-KCJUWKMLSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C1CC1 ZINC000847643892 588321757 /nfs/dbraw/zinc/32/17/57/588321757.db2.gz IOTARWGKIQVVNG-KCJUWKMLSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](CC(=O)O[C@H]1CNOC1)n1cc[nH+]c1 ZINC000848057500 588350549 /nfs/dbraw/zinc/35/05/49/588350549.db2.gz VJTPHCRPBMKZHU-BDAKNGLRSA-N 1 2 225.248 0.281 20 0 BCADLO COCOCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000848166999 588363616 /nfs/dbraw/zinc/36/36/16/588363616.db2.gz LYWJGDUWDKJUSL-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO COCOCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000848166999 588363618 /nfs/dbraw/zinc/36/36/18/588363618.db2.gz LYWJGDUWDKJUSL-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ncccn1 ZINC000848174843 588364981 /nfs/dbraw/zinc/36/49/81/588364981.db2.gz XGSWDSIQIYEQGY-UHFFFAOYSA-N 1 2 231.259 0.623 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CC1OCCO1 ZINC000848174799 588365429 /nfs/dbraw/zinc/36/54/29/588365429.db2.gz WHDSEFUXRPXJHG-UHFFFAOYSA-N 1 2 239.275 0.282 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@H]1COCCO1 ZINC000848650475 588403676 /nfs/dbraw/zinc/40/36/76/588403676.db2.gz NZQMLRKJUHGPNJ-SECBINFHSA-N 1 2 239.275 0.621 20 0 BCADLO CC[S@](=O)CCNc1nc[nH+]c(C)c1OC ZINC000848664199 588404194 /nfs/dbraw/zinc/40/41/94/588404194.db2.gz RYOFVZAXLGKEEA-INIZCTEOSA-N 1 2 243.332 0.974 20 0 BCADLO COc1c(C)[nH+]cnc1NCCC[S@](C)=O ZINC000848663185 588404313 /nfs/dbraw/zinc/40/43/13/588404313.db2.gz FJFLAQDIZMSUEN-INIZCTEOSA-N 1 2 243.332 0.974 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(=O)N(C)OC ZINC000848726023 588408954 /nfs/dbraw/zinc/40/89/54/588408954.db2.gz YBQADGXDNYWSAC-UHFFFAOYSA-N 1 2 240.263 0.225 20 0 BCADLO Cn1c(C[N@@H+]2CCOC[C@H](O)C2)cnc1Cl ZINC000848915677 588419906 /nfs/dbraw/zinc/41/99/06/588419906.db2.gz LLXYMVDFIMNUBY-SECBINFHSA-N 1 2 245.710 0.267 20 0 BCADLO Cn1c(C[N@H+]2CCOC[C@H](O)C2)cnc1Cl ZINC000848915677 588419908 /nfs/dbraw/zinc/41/99/08/588419908.db2.gz LLXYMVDFIMNUBY-SECBINFHSA-N 1 2 245.710 0.267 20 0 BCADLO Cn1cccc1C(=O)OCC[NH+]1CCOCC1 ZINC000849168384 588459147 /nfs/dbraw/zinc/45/91/47/588459147.db2.gz OYBOVBCMQLVFTF-UHFFFAOYSA-N 1 2 238.287 0.514 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OCC(N)=O ZINC000849212239 588461324 /nfs/dbraw/zinc/46/13/24/588461324.db2.gz RNXMBOFGABUSNQ-UHFFFAOYSA-N 1 2 207.233 0.327 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCOCC1 ZINC000849395582 588476781 /nfs/dbraw/zinc/47/67/81/588476781.db2.gz XGQLMXGWNTZYOU-SECBINFHSA-N 1 2 236.275 0.370 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CC[C@@H]2C)[nH]1 ZINC000850514856 588555831 /nfs/dbraw/zinc/55/58/31/588555831.db2.gz QQYQBRDKKMSGRT-YUMQZZPRSA-N 1 2 210.281 0.839 20 0 BCADLO O[C@H]1C[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000850577585 588561156 /nfs/dbraw/zinc/56/11/56/588561156.db2.gz APHRNXFSAWGMBA-NQMVMOMDSA-N 1 2 207.277 0.900 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000885579836 588562528 /nfs/dbraw/zinc/56/25/28/588562528.db2.gz OLNMUYYIXVCVBV-ONGXEEELSA-N 1 2 238.287 0.931 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)CCCF)C1 ZINC000850963211 588579971 /nfs/dbraw/zinc/57/99/71/588579971.db2.gz OQQBCLYVBMLTJA-UHFFFAOYSA-N 1 2 233.283 1.000 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851717246 588616471 /nfs/dbraw/zinc/61/64/71/588616471.db2.gz UZHJUGHZRKJZPJ-QMMMGPOBSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851717246 588616472 /nfs/dbraw/zinc/61/64/72/588616472.db2.gz UZHJUGHZRKJZPJ-QMMMGPOBSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851731858 588619694 /nfs/dbraw/zinc/61/96/94/588619694.db2.gz ZQBBHJGHJOWHQE-VIFPVBQESA-N 1 2 242.275 0.076 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)n1 ZINC000851735869 588620621 /nfs/dbraw/zinc/62/06/21/588620621.db2.gz JLMQSZYNNVRPHE-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000851735869 588620622 /nfs/dbraw/zinc/62/06/22/588620622.db2.gz JLMQSZYNNVRPHE-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CC1(C)OC[C@H](CN2CCn3cc[nH+]c3C2)O1 ZINC000851747077 588622222 /nfs/dbraw/zinc/62/22/22/588622222.db2.gz XQSOEHDVJFCJOO-JTQLQIEISA-N 1 2 237.303 0.850 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000851749316 588622715 /nfs/dbraw/zinc/62/27/15/588622715.db2.gz DCPFAODHNICOHI-MRVPVSSYSA-N 1 2 231.292 0.679 20 0 BCADLO CO[C@@H]1CC[C@@H](N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000851750849 588623190 /nfs/dbraw/zinc/62/31/90/588623190.db2.gz LAZAZBLDBGKNNM-JHJVBQTASA-N 1 2 242.363 0.552 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851768010 588624851 /nfs/dbraw/zinc/62/48/51/588624851.db2.gz ILNRAZSHJPKKBI-RKDXNWHRSA-N 1 2 249.332 0.057 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851768010 588624852 /nfs/dbraw/zinc/62/48/52/588624852.db2.gz ILNRAZSHJPKKBI-RKDXNWHRSA-N 1 2 249.332 0.057 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccccn1 ZINC000851767415 588625197 /nfs/dbraw/zinc/62/51/97/588625197.db2.gz BUZFGLTYGKUUGO-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccccn1 ZINC000851767415 588625198 /nfs/dbraw/zinc/62/51/98/588625198.db2.gz BUZFGLTYGKUUGO-GFCCVEGCSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCC(=O)O1 ZINC000851781283 588627355 /nfs/dbraw/zinc/62/73/55/588627355.db2.gz SFMPVPQZVWBIFZ-VIFPVBQESA-N 1 2 210.233 0.812 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1CCC(=O)O1 ZINC000851781283 588627356 /nfs/dbraw/zinc/62/73/56/588627356.db2.gz SFMPVPQZVWBIFZ-VIFPVBQESA-N 1 2 210.233 0.812 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851780456 588627488 /nfs/dbraw/zinc/62/74/88/588627488.db2.gz XJQZMHJSYYKJOA-RYUDHWBXSA-N 1 2 249.314 0.325 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851780456 588627489 /nfs/dbraw/zinc/62/74/89/588627489.db2.gz XJQZMHJSYYKJOA-RYUDHWBXSA-N 1 2 249.314 0.325 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000851781516 588627690 /nfs/dbraw/zinc/62/76/90/588627690.db2.gz YUGQISOIVLVDHF-VIFPVBQESA-N 1 2 210.281 0.112 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000851781516 588627691 /nfs/dbraw/zinc/62/76/91/588627691.db2.gz YUGQISOIVLVDHF-VIFPVBQESA-N 1 2 210.281 0.112 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOC(F)F ZINC000851812555 588632619 /nfs/dbraw/zinc/63/26/19/588632619.db2.gz KJKUFNRSSSGJTR-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOC(F)F ZINC000851812555 588632620 /nfs/dbraw/zinc/63/26/20/588632620.db2.gz KJKUFNRSSSGJTR-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO NC(=O)C1([NH2+]Cc2cnon2)CCCCC1 ZINC000851852523 588635006 /nfs/dbraw/zinc/63/50/06/588635006.db2.gz NWBURFBHJIJNMC-UHFFFAOYSA-N 1 2 224.264 0.347 20 0 BCADLO O=C1CC[C@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000851863908 588636240 /nfs/dbraw/zinc/63/62/40/588636240.db2.gz SLGXJFXTWGWJHG-SECBINFHSA-N 1 2 221.260 0.473 20 0 BCADLO O=C1CC[C@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000851863908 588636241 /nfs/dbraw/zinc/63/62/41/588636241.db2.gz SLGXJFXTWGWJHG-SECBINFHSA-N 1 2 221.260 0.473 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000851863909 588636405 /nfs/dbraw/zinc/63/64/05/588636405.db2.gz SLGXJFXTWGWJHG-VIFPVBQESA-N 1 2 221.260 0.473 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000851863909 588636406 /nfs/dbraw/zinc/63/64/06/588636406.db2.gz SLGXJFXTWGWJHG-VIFPVBQESA-N 1 2 221.260 0.473 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851870452 588637081 /nfs/dbraw/zinc/63/70/81/588637081.db2.gz FINBMBBHQMOFGQ-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851870452 588637082 /nfs/dbraw/zinc/63/70/82/588637082.db2.gz FINBMBBHQMOFGQ-VIFPVBQESA-N 1 2 249.332 0.059 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000851873990 588637940 /nfs/dbraw/zinc/63/79/40/588637940.db2.gz WRCVVBDHCVXFCY-UHFFFAOYSA-N 1 2 226.280 0.251 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000851873990 588637941 /nfs/dbraw/zinc/63/79/41/588637941.db2.gz WRCVVBDHCVXFCY-UHFFFAOYSA-N 1 2 226.280 0.251 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC(=O)O1 ZINC000851874041 588638295 /nfs/dbraw/zinc/63/82/95/588638295.db2.gz YSGYFTJVFBHQHM-QMMMGPOBSA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC(=O)O1 ZINC000851874041 588638296 /nfs/dbraw/zinc/63/82/96/588638296.db2.gz YSGYFTJVFBHQHM-QMMMGPOBSA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC(=O)O1 ZINC000851874041 588638297 /nfs/dbraw/zinc/63/82/97/588638297.db2.gz YSGYFTJVFBHQHM-QMMMGPOBSA-N 1 2 209.249 0.547 20 0 BCADLO Cn1c[nH+]c(CN2CCOC[C@H]2CCO)c1 ZINC000851879085 588638929 /nfs/dbraw/zinc/63/89/29/588638929.db2.gz VABGCTDIPWJCMS-LLVKDONJSA-N 1 2 225.292 0.003 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000851881928 588639270 /nfs/dbraw/zinc/63/92/70/588639270.db2.gz QTZMZTZVAMSWEO-WCBMZHEXSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000851881928 588639271 /nfs/dbraw/zinc/63/92/71/588639271.db2.gz QTZMZTZVAMSWEO-WCBMZHEXSA-N 1 2 210.281 0.253 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000851881767 588639691 /nfs/dbraw/zinc/63/96/91/588639691.db2.gz NLWBGJCSVIUHNI-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851881767 588639692 /nfs/dbraw/zinc/63/96/92/588639692.db2.gz NLWBGJCSVIUHNI-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCOC(F)F ZINC000851883283 588639703 /nfs/dbraw/zinc/63/97/03/588639703.db2.gz DAKJELPQCDFQKA-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOC(F)F ZINC000851883283 588639704 /nfs/dbraw/zinc/63/97/04/588639704.db2.gz DAKJELPQCDFQKA-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCc2c[nH]nn2)n1 ZINC000851887222 588640508 /nfs/dbraw/zinc/64/05/08/588640508.db2.gz MYMXFELKTDWQIA-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCc2c[nH]nn2)n1 ZINC000851887222 588640509 /nfs/dbraw/zinc/64/05/09/588640509.db2.gz MYMXFELKTDWQIA-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCc2cn[nH]n2)n1 ZINC000851887222 588640510 /nfs/dbraw/zinc/64/05/10/588640510.db2.gz MYMXFELKTDWQIA-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCc2cn[nH]n2)n1 ZINC000851887222 588640511 /nfs/dbraw/zinc/64/05/11/588640511.db2.gz MYMXFELKTDWQIA-JTQLQIEISA-N 1 2 232.291 0.907 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C(=O)NC)C(C)C)n1 ZINC000851901102 588641833 /nfs/dbraw/zinc/64/18/33/588641833.db2.gz CYGGVNCNYVHRDJ-JTQLQIEISA-N 1 2 239.323 0.158 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCC1=O ZINC000851951364 588647285 /nfs/dbraw/zinc/64/72/85/588647285.db2.gz DAPWBYXRJQRZCB-BDAKNGLRSA-N 1 2 211.261 0.603 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCC1=O ZINC000851951364 588647286 /nfs/dbraw/zinc/64/72/86/588647286.db2.gz DAPWBYXRJQRZCB-BDAKNGLRSA-N 1 2 211.261 0.603 20 0 BCADLO c1ncn([C@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC000851955031 588647518 /nfs/dbraw/zinc/64/75/18/588647518.db2.gz ZEMGGFSQLUJWQL-VIFPVBQESA-N 1 2 220.236 0.108 20 0 BCADLO c1ncn([C@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC000851955031 588647519 /nfs/dbraw/zinc/64/75/19/588647519.db2.gz ZEMGGFSQLUJWQL-VIFPVBQESA-N 1 2 220.236 0.108 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOC(F)F ZINC000851957848 588647718 /nfs/dbraw/zinc/64/77/18/588647718.db2.gz UVNNNYBNSBCBAH-ZETCQYMHSA-N 1 2 222.235 0.388 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOC(F)F ZINC000851957848 588647719 /nfs/dbraw/zinc/64/77/19/588647719.db2.gz UVNNNYBNSBCBAH-ZETCQYMHSA-N 1 2 222.235 0.388 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2CCc1c[nH]nn1 ZINC000851956068 588647888 /nfs/dbraw/zinc/64/78/88/588647888.db2.gz BJFKGLFNTGEPJH-NSHDSACASA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2CCc1c[nH]nn1 ZINC000851956068 588647889 /nfs/dbraw/zinc/64/78/89/588647889.db2.gz BJFKGLFNTGEPJH-NSHDSACASA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2CCc1cn[nH]n1 ZINC000851956068 588647890 /nfs/dbraw/zinc/64/78/90/588647890.db2.gz BJFKGLFNTGEPJH-NSHDSACASA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2CCc1cn[nH]n1 ZINC000851956068 588647891 /nfs/dbraw/zinc/64/78/91/588647891.db2.gz BJFKGLFNTGEPJH-NSHDSACASA-N 1 2 236.275 0.129 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851966251 588648181 /nfs/dbraw/zinc/64/81/81/588648181.db2.gz FIRMWZLANQVNNC-ZJUUUORDSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@H](NCc1cn(C)c[nH+]1)C1CC1 ZINC000851965949 588648200 /nfs/dbraw/zinc/64/82/00/588648200.db2.gz ASGKKDXHWBNIKF-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851966249 588648312 /nfs/dbraw/zinc/64/83/12/588648312.db2.gz FIRMWZLANQVNNC-UWVGGRQHSA-N 1 2 243.303 0.679 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851965989 588648335 /nfs/dbraw/zinc/64/83/35/588648335.db2.gz BRZWYNICTGHXCR-XXFAHNHDSA-N 1 2 245.344 0.535 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851965989 588648336 /nfs/dbraw/zinc/64/83/36/588648336.db2.gz BRZWYNICTGHXCR-XXFAHNHDSA-N 1 2 245.344 0.535 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851965986 588648417 /nfs/dbraw/zinc/64/84/17/588648417.db2.gz BRZWYNICTGHXCR-ABKXIKBNSA-N 1 2 245.344 0.535 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851965986 588648418 /nfs/dbraw/zinc/64/84/18/588648418.db2.gz BRZWYNICTGHXCR-ABKXIKBNSA-N 1 2 245.344 0.535 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851968065 588648686 /nfs/dbraw/zinc/64/86/86/588648686.db2.gz JOGAWCKZLQRHPW-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851968065 588648687 /nfs/dbraw/zinc/64/86/87/588648687.db2.gz JOGAWCKZLQRHPW-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnon2)[C@@H]1C ZINC000851974852 588649929 /nfs/dbraw/zinc/64/99/29/588649929.db2.gz KDMGPDXZUHTYJE-APPZFPTMSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnon2)[C@@H]1C ZINC000851974852 588649930 /nfs/dbraw/zinc/64/99/30/588649930.db2.gz KDMGPDXZUHTYJE-APPZFPTMSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnon2)[C@@H]1C ZINC000851974855 588649964 /nfs/dbraw/zinc/64/99/64/588649964.db2.gz KDMGPDXZUHTYJE-VXNVDRBHSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnon2)[C@@H]1C ZINC000851974855 588649965 /nfs/dbraw/zinc/64/99/65/588649965.db2.gz KDMGPDXZUHTYJE-VXNVDRBHSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnon2)[C@H]1C ZINC000851974853 588650104 /nfs/dbraw/zinc/65/01/04/588650104.db2.gz KDMGPDXZUHTYJE-CBAPKCEASA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnon2)[C@H]1C ZINC000851974853 588650105 /nfs/dbraw/zinc/65/01/05/588650105.db2.gz KDMGPDXZUHTYJE-CBAPKCEASA-N 1 2 225.248 0.453 20 0 BCADLO OC[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000851978530 588650800 /nfs/dbraw/zinc/65/08/00/588650800.db2.gz NBAPAPWYPDTHIV-YUMQZZPRSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000851978530 588650801 /nfs/dbraw/zinc/65/08/01/588650801.db2.gz NBAPAPWYPDTHIV-YUMQZZPRSA-N 1 2 240.130 0.981 20 0 BCADLO FC(F)OCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000852014131 588655348 /nfs/dbraw/zinc/65/53/48/588655348.db2.gz ZMUNBIDKBBQQLP-SNVBAGLBSA-N 1 2 237.246 0.717 20 0 BCADLO FC(F)OCC[N@H+]1CCOC[C@]12CCOC2 ZINC000852014131 588655349 /nfs/dbraw/zinc/65/53/49/588655349.db2.gz ZMUNBIDKBBQQLP-SNVBAGLBSA-N 1 2 237.246 0.717 20 0 BCADLO COC[C@H](C[N@@H+]1CCO[C@H](C(F)F)C1)OC ZINC000852016995 588655477 /nfs/dbraw/zinc/65/54/77/588655477.db2.gz PYGNPBMMXMFSAN-IUCAKERBSA-N 1 2 239.262 0.614 20 0 BCADLO COC[C@H](C[N@H+]1CCO[C@H](C(F)F)C1)OC ZINC000852016995 588655478 /nfs/dbraw/zinc/65/54/78/588655478.db2.gz PYGNPBMMXMFSAN-IUCAKERBSA-N 1 2 239.262 0.614 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@@]23CCOC3)O1 ZINC000852013290 588655605 /nfs/dbraw/zinc/65/56/05/588655605.db2.gz SZCBOIOIYHIYEB-JQWIXIFHSA-N 1 2 241.287 0.183 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@@]23CCOC3)O1 ZINC000852013290 588655606 /nfs/dbraw/zinc/65/56/06/588655606.db2.gz SZCBOIOIYHIYEB-JQWIXIFHSA-N 1 2 241.287 0.183 20 0 BCADLO Cn1c[nH+]c(CN2CCO[C@@H](C(F)F)C2)c1 ZINC000852017176 588655997 /nfs/dbraw/zinc/65/59/97/588655997.db2.gz VNSZFEXGPDFJIJ-SECBINFHSA-N 1 2 231.246 0.886 20 0 BCADLO CC1(C)OC[C@H](C[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000852063524 588658485 /nfs/dbraw/zinc/65/84/85/588658485.db2.gz QOMJYADVKJMPFD-KWQFWETISA-N 1 2 229.276 0.433 20 0 BCADLO C[C@]1([NH2+]CCO[C@@H]2CC2(F)F)CCOC1=O ZINC000852063072 588658619 /nfs/dbraw/zinc/65/86/19/588658619.db2.gz NINKSYUDDUUDGX-APPZFPTMSA-N 1 2 235.230 0.706 20 0 BCADLO c1[nH+]cn2c1CN(CC1OCCO1)CC2 ZINC000852064740 588659055 /nfs/dbraw/zinc/65/90/55/588659055.db2.gz FBMHZXWWFKIBOL-UHFFFAOYSA-N 1 2 209.249 0.072 20 0 BCADLO O=CN1CCC[N@@H+](Cc2cccc(F)n2)CC1 ZINC000852072914 588659186 /nfs/dbraw/zinc/65/91/86/588659186.db2.gz MDQJEIYJTRHVIE-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O=CN1CCC[N@H+](Cc2cccc(F)n2)CC1 ZINC000852072914 588659187 /nfs/dbraw/zinc/65/91/87/588659187.db2.gz MDQJEIYJTRHVIE-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000852071288 588659423 /nfs/dbraw/zinc/65/94/23/588659423.db2.gz KSMAMEKJQMCYOG-SECBINFHSA-N 1 2 239.262 0.963 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000852071288 588659424 /nfs/dbraw/zinc/65/94/24/588659424.db2.gz KSMAMEKJQMCYOG-SECBINFHSA-N 1 2 239.262 0.963 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852112984 588664604 /nfs/dbraw/zinc/66/46/04/588664604.db2.gz SWTNAAOCLHRDOQ-SNVBAGLBSA-N 1 2 226.251 0.414 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852112984 588664605 /nfs/dbraw/zinc/66/46/05/588664605.db2.gz SWTNAAOCLHRDOQ-SNVBAGLBSA-N 1 2 226.251 0.414 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cccc(F)n2)C[C@H]1O ZINC000852140658 588666536 /nfs/dbraw/zinc/66/65/36/588666536.db2.gz NNWZDFCZAYBAMD-NXEZZACHSA-N 1 2 226.251 0.412 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cccc(F)n2)C[C@H]1O ZINC000852140658 588666537 /nfs/dbraw/zinc/66/65/37/588666537.db2.gz NNWZDFCZAYBAMD-NXEZZACHSA-N 1 2 226.251 0.412 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCc1cccs1 ZINC000852158010 588668032 /nfs/dbraw/zinc/66/80/32/588668032.db2.gz QMNVAVVHKCPBKJ-LLVKDONJSA-N 1 2 243.328 0.804 20 0 BCADLO CC(C)[N@@H+](Cc1cnon1)C[C@H]1CCC(=O)N1 ZINC000852177699 588669664 /nfs/dbraw/zinc/66/96/64/588669664.db2.gz ONCRGEGUJYRGBN-SECBINFHSA-N 1 2 238.291 0.559 20 0 BCADLO CC(C)[N@H+](Cc1cnon1)C[C@H]1CCC(=O)N1 ZINC000852177699 588669665 /nfs/dbraw/zinc/66/96/65/588669665.db2.gz ONCRGEGUJYRGBN-SECBINFHSA-N 1 2 238.291 0.559 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1COC(C)(C)O1 ZINC000852186786 588670326 /nfs/dbraw/zinc/67/03/26/588670326.db2.gz IZCFNDDWXUPANT-ZETCQYMHSA-N 1 2 243.263 0.359 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1COC(C)(C)O1 ZINC000852186786 588670327 /nfs/dbraw/zinc/67/03/27/588670327.db2.gz IZCFNDDWXUPANT-ZETCQYMHSA-N 1 2 243.263 0.359 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](O)CO)C(C)C)s1 ZINC000852186600 588670570 /nfs/dbraw/zinc/67/05/70/588670570.db2.gz GDRADEHIUQCPAX-SECBINFHSA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](O)CO)C(C)C)s1 ZINC000852186600 588670571 /nfs/dbraw/zinc/67/05/71/588670571.db2.gz GDRADEHIUQCPAX-SECBINFHSA-N 1 2 245.348 0.410 20 0 BCADLO COCCONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852287758 588675954 /nfs/dbraw/zinc/67/59/54/588675954.db2.gz MLPNZUVYNIVDQR-UHFFFAOYSA-N 1 2 228.252 0.129 20 0 BCADLO COCCONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852287758 588675955 /nfs/dbraw/zinc/67/59/55/588675955.db2.gz MLPNZUVYNIVDQR-UHFFFAOYSA-N 1 2 228.252 0.129 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC(=O)O1 ZINC000852289156 588676475 /nfs/dbraw/zinc/67/64/75/588676475.db2.gz YZOSLXCAODDPKQ-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC(=O)O1 ZINC000852289156 588676476 /nfs/dbraw/zinc/67/64/76/588676476.db2.gz YZOSLXCAODDPKQ-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCC(=O)O1 ZINC000852289156 588676477 /nfs/dbraw/zinc/67/64/77/588676477.db2.gz YZOSLXCAODDPKQ-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCC(=O)O1 ZINC000852289156 588676478 /nfs/dbraw/zinc/67/64/78/588676478.db2.gz YZOSLXCAODDPKQ-VIFPVBQESA-N 1 2 209.249 0.547 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+](CCS(C)(=O)=O)CCO1 ZINC000852323911 588678689 /nfs/dbraw/zinc/67/86/89/588678689.db2.gz NIRFPOYHJGIHKS-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000852323911 588678690 /nfs/dbraw/zinc/67/86/90/588678690.db2.gz NIRFPOYHJGIHKS-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000852323721 588678747 /nfs/dbraw/zinc/67/87/47/588678747.db2.gz LMKNCQODVRGVHQ-PWSUYJOCSA-N 1 2 225.288 0.803 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000852323721 588678748 /nfs/dbraw/zinc/67/87/48/588678748.db2.gz LMKNCQODVRGVHQ-PWSUYJOCSA-N 1 2 225.288 0.803 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000852361768 588680078 /nfs/dbraw/zinc/68/00/78/588680078.db2.gz FXUUOBXZBACJHX-BDAKNGLRSA-N 1 2 238.291 0.662 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433960 588682081 /nfs/dbraw/zinc/68/20/81/588682081.db2.gz YQNXEEARAQOUGC-SECBINFHSA-N 1 2 242.275 0.076 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433960 588682082 /nfs/dbraw/zinc/68/20/82/588682082.db2.gz YQNXEEARAQOUGC-SECBINFHSA-N 1 2 242.275 0.076 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000852437409 588682325 /nfs/dbraw/zinc/68/23/25/588682325.db2.gz BPRBVMDXOXDILA-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000852437409 588682326 /nfs/dbraw/zinc/68/23/26/588682326.db2.gz BPRBVMDXOXDILA-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000852437409 588682327 /nfs/dbraw/zinc/68/23/27/588682327.db2.gz BPRBVMDXOXDILA-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000852437409 588682328 /nfs/dbraw/zinc/68/23/28/588682328.db2.gz BPRBVMDXOXDILA-JTQLQIEISA-N 1 2 236.275 0.436 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H]2COC(C)(C)O2)o1 ZINC000852471326 588683176 /nfs/dbraw/zinc/68/31/76/588683176.db2.gz LEYYFHRIXYTNCH-SECBINFHSA-N 1 2 241.291 0.961 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)o1 ZINC000852471326 588683177 /nfs/dbraw/zinc/68/31/77/588683177.db2.gz LEYYFHRIXYTNCH-SECBINFHSA-N 1 2 241.291 0.961 20 0 BCADLO CCN1CC[C@@H]([N@H+](CCF)CCOC)C1=O ZINC000852479274 588683424 /nfs/dbraw/zinc/68/34/24/588683424.db2.gz FCJFPWFODJJLNL-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CCN1CC[C@@H]([N@@H+](CCF)CCOC)C1=O ZINC000852479274 588683425 /nfs/dbraw/zinc/68/34/25/588683425.db2.gz FCJFPWFODJJLNL-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@H+](CCF)CC(=O)N(C)C1CC1 ZINC000852481598 588684238 /nfs/dbraw/zinc/68/42/38/588684238.db2.gz NUGMPCSPTJOAGZ-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)N(C)C1CC1 ZINC000852481598 588684239 /nfs/dbraw/zinc/68/42/39/588684239.db2.gz NUGMPCSPTJOAGZ-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@H+](CCF)[C@H]1CCCN(C)C1=O ZINC000852481601 588684293 /nfs/dbraw/zinc/68/42/93/588684293.db2.gz NVKVXILHKFGAPA-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@@H+](CCF)[C@H]1CCCN(C)C1=O ZINC000852481601 588684294 /nfs/dbraw/zinc/68/42/94/588684294.db2.gz NVKVXILHKFGAPA-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO Cc1ccnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852538519 588689378 /nfs/dbraw/zinc/68/93/78/588689378.db2.gz GZLVDZJGDSVQAZ-CMPLNLGQSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1ccnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852538519 588689379 /nfs/dbraw/zinc/68/93/79/588689379.db2.gz GZLVDZJGDSVQAZ-CMPLNLGQSA-N 1 2 219.288 0.742 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000852558411 588690204 /nfs/dbraw/zinc/69/02/04/588690204.db2.gz JFDPVBNSCVDSMU-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000852558411 588690205 /nfs/dbraw/zinc/69/02/05/588690205.db2.gz JFDPVBNSCVDSMU-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000852768453 588701135 /nfs/dbraw/zinc/70/11/35/588701135.db2.gz ABTHCHGAGBSLQH-MRVPVSSYSA-N 1 2 244.291 0.368 20 0 BCADLO Cc1ccnn1CC(=O)OCc1c[nH+]cn1C ZINC000860576365 589107394 /nfs/dbraw/zinc/10/73/94/589107394.db2.gz SBDWEURMKLEBFV-UHFFFAOYSA-N 1 2 234.259 0.668 20 0 BCADLO Cc1c[nH+]cn1CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000860890132 589126284 /nfs/dbraw/zinc/12/62/84/589126284.db2.gz ATZYQKXWZHKHOB-QMMMGPOBSA-N 1 2 235.247 0.614 20 0 BCADLO O=C(OCC[NH+]1CCC1)[C@@H]1CCC(=O)C1 ZINC000861390136 589163433 /nfs/dbraw/zinc/16/34/33/589163433.db2.gz KTOWGGMLHRJORJ-SECBINFHSA-N 1 2 211.261 0.605 20 0 BCADLO COC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000885798638 589167085 /nfs/dbraw/zinc/16/70/85/589167085.db2.gz KNULOABAJGNYGH-SNVBAGLBSA-N 1 2 239.319 0.987 20 0 BCADLO CCOCC[N@H+](CC)CCS(=O)(=O)CC ZINC000118398850 589169620 /nfs/dbraw/zinc/16/96/20/589169620.db2.gz JFELFBCEJFJIIG-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO CCOCC[N@@H+](CC)CCS(=O)(=O)CC ZINC000118398850 589169622 /nfs/dbraw/zinc/16/96/22/589169622.db2.gz JFELFBCEJFJIIG-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000118394621 589169821 /nfs/dbraw/zinc/16/98/21/589169821.db2.gz WEUPFKVEPLFLPN-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000118394621 589169823 /nfs/dbraw/zinc/16/98/23/589169823.db2.gz WEUPFKVEPLFLPN-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CCS(C)(=O)=O ZINC000118417444 589172391 /nfs/dbraw/zinc/17/23/91/589172391.db2.gz RRVVUDGLRKYWCT-BDAKNGLRSA-N 1 2 237.390 0.857 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@H+]1CCS(C)(=O)=O ZINC000118417444 589172392 /nfs/dbraw/zinc/17/23/92/589172392.db2.gz RRVVUDGLRKYWCT-BDAKNGLRSA-N 1 2 237.390 0.857 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COCC(F)F ZINC000861753046 589176625 /nfs/dbraw/zinc/17/66/25/589176625.db2.gz SGVOYLXRXLZGQJ-UHFFFAOYSA-N 1 2 233.218 0.318 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762727 589177292 /nfs/dbraw/zinc/17/72/92/589177292.db2.gz DVEVOCJXLWHKRH-UHFFFAOYSA-N 1 2 247.258 0.345 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762727 589177293 /nfs/dbraw/zinc/17/72/93/589177293.db2.gz DVEVOCJXLWHKRH-UHFFFAOYSA-N 1 2 247.258 0.345 20 0 BCADLO Cc1ccnn1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000861914222 589183433 /nfs/dbraw/zinc/18/34/33/589183433.db2.gz NEMKEXJRTZQLIU-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO C[C@H](CC(=O)NC[C@@H]1COCO1)n1cc[nH+]c1 ZINC000861980699 589189332 /nfs/dbraw/zinc/18/93/32/589189332.db2.gz IFHZYJIDOAVWTQ-NXEZZACHSA-N 1 2 239.275 0.323 20 0 BCADLO COC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000862230043 589195681 /nfs/dbraw/zinc/19/56/81/589195681.db2.gz XIEGUJDXFCAWBI-UHFFFAOYSA-N 1 2 238.291 0.602 20 0 BCADLO CCONC(=O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000862403450 589209860 /nfs/dbraw/zinc/20/98/60/589209860.db2.gz PRIFBUGQYFBDBT-SNVBAGLBSA-N 1 2 232.349 0.929 20 0 BCADLO Cc1c(F)nccc1C[NH2+]Cc1cnn[nH]1 ZINC000862424468 589211990 /nfs/dbraw/zinc/21/19/90/589211990.db2.gz OUMRIEXRISSBOD-UHFFFAOYSA-N 1 2 221.239 0.937 20 0 BCADLO COC(=O)C1=CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000862659255 589231163 /nfs/dbraw/zinc/23/11/63/589231163.db2.gz PNIFJWLNZKYOGU-JTQLQIEISA-N 1 2 249.270 0.261 20 0 BCADLO C[C@@H](C(=O)Nn1cccn1)[NH+]1CCSCC1 ZINC000862768734 589239814 /nfs/dbraw/zinc/23/98/14/589239814.db2.gz OTBNTGWWMOFXKH-VIFPVBQESA-N 1 2 240.332 0.391 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nn1cccn1 ZINC000862770161 589240374 /nfs/dbraw/zinc/24/03/74/589240374.db2.gz ZXTSNOCXTOJHKY-UHFFFAOYSA-N 1 2 245.286 0.729 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nn2cccn2)C1 ZINC000862770355 589240677 /nfs/dbraw/zinc/24/06/77/589240677.db2.gz SSUDPOQPVIRCSY-UHFFFAOYSA-N 1 2 208.265 0.295 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000862969230 589249507 /nfs/dbraw/zinc/24/95/07/589249507.db2.gz JZNWKWILCPZPCR-VGMNWLOBSA-N 1 2 248.273 0.334 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000862969230 589249509 /nfs/dbraw/zinc/24/95/09/589249509.db2.gz JZNWKWILCPZPCR-VGMNWLOBSA-N 1 2 248.273 0.334 20 0 BCADLO CC/C(C)=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969630 589249794 /nfs/dbraw/zinc/24/97/94/589249794.db2.gz NPJCJOHHQRQTJY-ZJRUKIMVSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C(C)=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969630 589249795 /nfs/dbraw/zinc/24/97/95/589249795.db2.gz NPJCJOHHQRQTJY-ZJRUKIMVSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC000862972046 589249849 /nfs/dbraw/zinc/24/98/49/589249849.db2.gz XSZKQELVQMRENR-ZYOFXKKJSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC000862972046 589249850 /nfs/dbraw/zinc/24/98/50/589249850.db2.gz XSZKQELVQMRENR-ZYOFXKKJSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC000862970218 589249971 /nfs/dbraw/zinc/24/99/71/589249971.db2.gz WSAUQQAIJHGHHT-MRVPVSSYSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC000862970218 589249972 /nfs/dbraw/zinc/24/99/72/589249972.db2.gz WSAUQQAIJHGHHT-MRVPVSSYSA-N 1 2 248.273 0.479 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969717 589250260 /nfs/dbraw/zinc/25/02/60/589250260.db2.gz IBBLBUQFBWZORS-VHSXEESVSA-N 1 2 232.299 0.427 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969717 589250262 /nfs/dbraw/zinc/25/02/62/589250262.db2.gz IBBLBUQFBWZORS-VHSXEESVSA-N 1 2 232.299 0.427 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC000862969997 589250385 /nfs/dbraw/zinc/25/03/85/589250385.db2.gz ROMGOEUGFJZYNW-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC000862969997 589250386 /nfs/dbraw/zinc/25/03/86/589250386.db2.gz ROMGOEUGFJZYNW-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO CCCC[N@H+](C)Cn1nc(COC)oc1=O ZINC000119215127 589250961 /nfs/dbraw/zinc/25/09/61/589250961.db2.gz OUVBBDHBFYDTFL-UHFFFAOYSA-N 1 2 229.280 0.672 20 0 BCADLO CCCC[N@@H+](C)Cn1nc(COC)oc1=O ZINC000119215127 589250963 /nfs/dbraw/zinc/25/09/63/589250963.db2.gz OUVBBDHBFYDTFL-UHFFFAOYSA-N 1 2 229.280 0.672 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](CCF)C1 ZINC000863073837 589254330 /nfs/dbraw/zinc/25/43/30/589254330.db2.gz MFQXYHKVNKYUIA-VIFPVBQESA-N 1 2 241.266 0.539 20 0 BCADLO COC(=O)c1ncn(C[NH+](C2CC2)C2CC2)n1 ZINC000863304327 589277765 /nfs/dbraw/zinc/27/77/65/589277765.db2.gz XMLGPUQVKTXWKY-UHFFFAOYSA-N 1 2 236.275 0.649 20 0 BCADLO NC(CCO)=[NH+]OCc1nnc(C2CC2)s1 ZINC000863467792 589290984 /nfs/dbraw/zinc/29/09/84/589290984.db2.gz LEDDTYISYBQRJT-UHFFFAOYSA-N 1 2 242.304 0.796 20 0 BCADLO CC[C@@H](O[NH+]=C(N)C1(OC)CCCC1)C(N)=O ZINC000863478605 589292330 /nfs/dbraw/zinc/29/23/30/589292330.db2.gz SMQRVQPRKKMXAB-MRVPVSSYSA-N 1 2 243.307 0.708 20 0 BCADLO CCC(O)(CC)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000863620485 589305206 /nfs/dbraw/zinc/30/52/06/589305206.db2.gz GKASGDFCUARJLU-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO COC1C[NH+](C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000863970917 589330375 /nfs/dbraw/zinc/33/03/75/589330375.db2.gz XDXPWNZDRFXPAQ-PWSUYJOCSA-N 1 2 229.320 0.229 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)CS1(=O)=O ZINC000864049863 589334947 /nfs/dbraw/zinc/33/49/47/589334947.db2.gz MYBJQSJQCMZOLK-IUCAKERBSA-N 1 2 243.332 0.465 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1(CO)CC1 ZINC000864068688 589338172 /nfs/dbraw/zinc/33/81/72/589338172.db2.gz UXNZJIPJHBCGGI-MRVPVSSYSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1(CO)CC1 ZINC000864068688 589338173 /nfs/dbraw/zinc/33/81/73/589338173.db2.gz UXNZJIPJHBCGGI-MRVPVSSYSA-N 1 2 223.276 0.229 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000864072244 589338893 /nfs/dbraw/zinc/33/88/93/589338893.db2.gz JUCYBDVMMUPMMO-KOLCDFICSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000864072244 589338895 /nfs/dbraw/zinc/33/88/95/589338895.db2.gz JUCYBDVMMUPMMO-KOLCDFICSA-N 1 2 223.276 0.636 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000864080542 589341393 /nfs/dbraw/zinc/34/13/93/589341393.db2.gz HJXDLEYYWMRLMV-RDOCRHDPSA-N 1 2 232.711 0.576 20 0 BCADLO C/C(Cl)=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000864080542 589341394 /nfs/dbraw/zinc/34/13/94/589341394.db2.gz HJXDLEYYWMRLMV-RDOCRHDPSA-N 1 2 232.711 0.576 20 0 BCADLO C[C@@H](O)c1ccc(N2CC(C)(C(N)=O)C2)[nH+]c1 ZINC000864090135 589342752 /nfs/dbraw/zinc/34/27/52/589342752.db2.gz AOBXWOUJGVCSMN-MRVPVSSYSA-N 1 2 235.287 0.447 20 0 BCADLO C[C@H](O)c1ccc(N2CC(C)(C(N)=O)C2)[nH+]c1 ZINC000864090136 589342797 /nfs/dbraw/zinc/34/27/97/589342797.db2.gz AOBXWOUJGVCSMN-QMMMGPOBSA-N 1 2 235.287 0.447 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)Cc2c[nH]nc21 ZINC000864091428 589343412 /nfs/dbraw/zinc/34/34/12/589343412.db2.gz UWRWNPGANFPNCI-MRVPVSSYSA-N 1 2 223.276 0.702 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)Cc2c[nH]nc21 ZINC000864091428 589343413 /nfs/dbraw/zinc/34/34/13/589343413.db2.gz UWRWNPGANFPNCI-MRVPVSSYSA-N 1 2 223.276 0.702 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCCC1 ZINC000864376209 589356462 /nfs/dbraw/zinc/35/64/62/589356462.db2.gz IYBXZTRMFVVBFA-SNAWJCMRSA-N 1 2 238.331 0.887 20 0 BCADLO O=C(NCCO)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864407286 589356652 /nfs/dbraw/zinc/35/66/52/589356652.db2.gz XXGZAAFWRZDQCU-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO O=C(NCCO)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864407286 589356654 /nfs/dbraw/zinc/35/66/54/589356654.db2.gz XXGZAAFWRZDQCU-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CCCC1 ZINC000864431523 589362708 /nfs/dbraw/zinc/36/27/08/589362708.db2.gz SHODCIXUNXMAAW-ZZXKWVIFSA-N 1 2 238.331 0.934 20 0 BCADLO CC(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864429811 589362752 /nfs/dbraw/zinc/36/27/52/589362752.db2.gz CXVCBGCXGZRTOV-ARJAWSKDSA-N 1 2 226.320 0.647 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864468763 589372459 /nfs/dbraw/zinc/37/24/59/589372459.db2.gz IWMQSIWZKWENFV-SECBINFHSA-N 1 2 242.323 0.310 20 0 BCADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864773616 589393792 /nfs/dbraw/zinc/39/37/92/589393792.db2.gz MMXFSFAHJILHCF-SCZZXKLOSA-N 1 2 225.292 0.946 20 0 BCADLO CN(C(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000864836273 589397552 /nfs/dbraw/zinc/39/75/52/589397552.db2.gz IJQAADIDWFPMHL-NSCUHMNNSA-N 1 2 224.304 0.496 20 0 BCADLO O=C(C=CC[NH+]1CCOCC1)Nc1cn[nH]c1 ZINC000864863514 589398980 /nfs/dbraw/zinc/39/89/80/589398980.db2.gz TWWLJVQGOCIOCH-OWOJBTEDSA-N 1 2 236.275 0.237 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cn[nH]c1 ZINC000864863514 589398981 /nfs/dbraw/zinc/39/89/81/589398981.db2.gz TWWLJVQGOCIOCH-OWOJBTEDSA-N 1 2 236.275 0.237 20 0 BCADLO CCOC(=O)C[N@H+](C)CC[C@H]1CCOC1=O ZINC000120275875 589398997 /nfs/dbraw/zinc/39/89/97/589398997.db2.gz ODCLUDULCPVWAU-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC[C@H]1CCOC1=O ZINC000120275875 589398999 /nfs/dbraw/zinc/39/89/99/589398999.db2.gz ODCLUDULCPVWAU-VIFPVBQESA-N 1 2 229.276 0.435 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCC(=O)O1 ZINC000864971644 589402936 /nfs/dbraw/zinc/40/29/36/589402936.db2.gz CWDKXEGTWOOYAG-SECBINFHSA-N 1 2 249.270 0.792 20 0 BCADLO CN(CC(F)(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864987299 589403172 /nfs/dbraw/zinc/40/31/72/589403172.db2.gz LQZLVLNOCVALGR-ZCFIWIBFSA-N 1 2 237.181 0.464 20 0 BCADLO CC1(C)COCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864996524 589403896 /nfs/dbraw/zinc/40/38/96/589403896.db2.gz UQGCTKWMDARVPN-VIFPVBQESA-N 1 2 239.275 0.081 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cnoc1 ZINC000865084466 589408184 /nfs/dbraw/zinc/40/81/84/589408184.db2.gz CAVBNGNJQNRGEV-UPHRSURJSA-N 1 2 237.259 0.502 20 0 BCADLO C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865096393 589409135 /nfs/dbraw/zinc/40/91/35/589409135.db2.gz VPKRFNPOILNXNB-CBAPKCEASA-N 1 2 209.249 0.312 20 0 BCADLO CC[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865140724 589410680 /nfs/dbraw/zinc/41/06/80/589410680.db2.gz JJIINULESYSVAQ-SCZZXKLOSA-N 1 2 223.276 0.844 20 0 BCADLO CO[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865147722 589410938 /nfs/dbraw/zinc/41/09/38/589410938.db2.gz KHBJYNGUIBQETM-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO CO[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865147725 589410967 /nfs/dbraw/zinc/41/09/67/589410967.db2.gz KHBJYNGUIBQETM-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865404902 589433385 /nfs/dbraw/zinc/43/33/85/589433385.db2.gz VWUWXSKSYSAPCI-UHFFFAOYSA-N 1 2 236.319 0.832 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2ccc(F)nn2)CCO1 ZINC000865495030 589441185 /nfs/dbraw/zinc/44/11/85/589441185.db2.gz GGXDPIKRWACTKB-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2ccc(F)nn2)CCO1 ZINC000865495030 589441186 /nfs/dbraw/zinc/44/11/86/589441186.db2.gz GGXDPIKRWACTKB-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO O=C(C[NH2+]Cc1cn(C2CC2)cn1)NCC1CC1 ZINC000865523560 589443170 /nfs/dbraw/zinc/44/31/70/589443170.db2.gz NLFQTFGKAZVXHE-UHFFFAOYSA-N 1 2 248.330 0.834 20 0 BCADLO Cc1nc(NCCOc2cccnc2)nc(N)[nH+]1 ZINC000865539017 589444928 /nfs/dbraw/zinc/44/49/28/589444928.db2.gz NZRQDPMKOIJATO-UHFFFAOYSA-N 1 2 246.274 0.648 20 0 BCADLO Cc1nc(N)nc(NCCOc2cccnc2)[nH+]1 ZINC000865539017 589444930 /nfs/dbraw/zinc/44/49/30/589444930.db2.gz NZRQDPMKOIJATO-UHFFFAOYSA-N 1 2 246.274 0.648 20 0 BCADLO CCOCCN(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865579562 589448706 /nfs/dbraw/zinc/44/87/06/589448706.db2.gz XUZGWPYZKNPSAO-JTQLQIEISA-N 1 2 241.291 0.328 20 0 BCADLO CCOCCN(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865579563 589448765 /nfs/dbraw/zinc/44/87/65/589448765.db2.gz XUZGWPYZKNPSAO-SNVBAGLBSA-N 1 2 241.291 0.328 20 0 BCADLO COC/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000865598771 589449869 /nfs/dbraw/zinc/44/98/69/589449869.db2.gz MCKDFKWRHGYXES-ARJAWSKDSA-N 1 2 209.249 0.571 20 0 BCADLO CCN1CCN(c2ccc([C@H](C)O)c[nH+]2)CC1=O ZINC000865677532 589455876 /nfs/dbraw/zinc/45/58/76/589455876.db2.gz BEVFRJQQOCFERB-JTQLQIEISA-N 1 2 249.314 0.803 20 0 BCADLO C[C@H](O)c1ccc(N2CCN(C)C(=O)[C@H]2C)[nH+]c1 ZINC000865689442 589456039 /nfs/dbraw/zinc/45/60/39/589456039.db2.gz GZADKWLMAQGLAM-ZJUUUORDSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H](O)C(F)(F)F ZINC000865710783 589457882 /nfs/dbraw/zinc/45/78/82/589457882.db2.gz FFCLZJXLOOAYJQ-CAHLUQPWSA-N 1 2 238.213 0.216 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000865752974 589458873 /nfs/dbraw/zinc/45/88/73/589458873.db2.gz GVXNNCPVUMJTNA-RNFRBKRXSA-N 1 2 220.198 0.856 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)O2)cc[nH+]1 ZINC000865740543 589460025 /nfs/dbraw/zinc/46/00/25/589460025.db2.gz GDSHYEGNLUCLJW-SECBINFHSA-N 1 2 220.228 0.456 20 0 BCADLO CON(C)C(=O)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865883976 589467307 /nfs/dbraw/zinc/46/73/07/589467307.db2.gz OBNIZIKNWJIZMY-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO C[C@H](O)c1ccc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]c1 ZINC000865908399 589468119 /nfs/dbraw/zinc/46/81/19/589468119.db2.gz CMNRPQGQDQCEBI-UJNFCWOMSA-N 1 2 235.287 0.811 20 0 BCADLO C[C@H]1CSCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865995161 589471661 /nfs/dbraw/zinc/47/16/61/589471661.db2.gz WAQWANYVMWNHIB-CBAPKCEASA-N 1 2 241.316 0.407 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866020443 589472941 /nfs/dbraw/zinc/47/29/41/589472941.db2.gz MJIHMEHALCBQEV-KHQFGBGNSA-N 1 2 223.276 0.700 20 0 BCADLO CC1(C)[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000866092882 589475554 /nfs/dbraw/zinc/47/55/54/589475554.db2.gz CCMVEIDYTFLZTO-XKSSXDPKSA-N 1 2 235.287 0.558 20 0 BCADLO C[C@H](O)[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000866108649 589476536 /nfs/dbraw/zinc/47/65/36/589476536.db2.gz CMJXXKZMKSRILJ-UFBFGSQYSA-N 1 2 233.271 0.205 20 0 BCADLO C[C@H](O)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000866111170 589477046 /nfs/dbraw/zinc/47/70/46/589477046.db2.gz YHSCDOPDAGBTRS-IONNQARKSA-N 1 2 223.276 0.508 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@H](O)[C@H](C)O)[nH+]1 ZINC000866111114 589477131 /nfs/dbraw/zinc/47/71/31/589477131.db2.gz XPUHPJPDGHXIAY-RCOVLWMOSA-N 1 2 236.275 0.420 20 0 BCADLO Cc1nc(N2CCCN(C=O)CC2)cc[nH+]1 ZINC000866128511 589477740 /nfs/dbraw/zinc/47/77/40/589477740.db2.gz KZBKSBMOUATBSQ-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](O)[C@@H](O)C1 ZINC000866224422 589481381 /nfs/dbraw/zinc/48/13/81/589481381.db2.gz VYHVPQURKKZACI-NEPJUHHUSA-N 1 2 247.298 0.505 20 0 BCADLO O[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000866225268 589481691 /nfs/dbraw/zinc/48/16/91/589481691.db2.gz SUMURHMMCKABIO-MNOVXSKESA-N 1 2 233.271 0.495 20 0 BCADLO Cc1nc(N[C@H](C)c2ccnn2C)nc(N)[nH+]1 ZINC000866252065 589482968 /nfs/dbraw/zinc/48/29/68/589482968.db2.gz FFVCLAFEKCZEKA-ZCFIWIBFSA-N 1 2 233.279 0.669 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)c2ccnn2C)[nH+]1 ZINC000866252065 589482969 /nfs/dbraw/zinc/48/29/69/589482969.db2.gz FFVCLAFEKCZEKA-ZCFIWIBFSA-N 1 2 233.279 0.669 20 0 BCADLO CCN(CC(C)(C)O)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866322368 589486304 /nfs/dbraw/zinc/48/63/04/589486304.db2.gz ZIGQEKPQPIWLMW-SECBINFHSA-N 1 2 241.291 0.063 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000866336722 589486777 /nfs/dbraw/zinc/48/67/77/589486777.db2.gz GXYFITCZZKJONZ-MRTMQBJTSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481291 589495980 /nfs/dbraw/zinc/49/59/80/589495980.db2.gz NPTFNWIQJAQWIF-MWLCHTKSSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481585 589496054 /nfs/dbraw/zinc/49/60/54/589496054.db2.gz QXPUZZMSLBTRCL-WCBMZHEXSA-N 1 2 223.276 0.702 20 0 BCADLO CNC(=O)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690015 589512386 /nfs/dbraw/zinc/51/23/86/589512386.db2.gz SOJTTWQZWWFNQS-UHFFFAOYSA-N 1 2 235.287 0.209 20 0 BCADLO CNC(=O)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690015 589512388 /nfs/dbraw/zinc/51/23/88/589512388.db2.gz SOJTTWQZWWFNQS-UHFFFAOYSA-N 1 2 235.287 0.209 20 0 BCADLO C[C@@H]1OCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866703294 589513218 /nfs/dbraw/zinc/51/32/18/589513218.db2.gz KQANHBXDQANOBZ-OYNCUSHFSA-N 1 2 239.275 0.079 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C2(F)CCOCC2)C1 ZINC000867524720 589524382 /nfs/dbraw/zinc/52/43/82/589524382.db2.gz XYDSWATWGGPCKA-UHFFFAOYSA-N 1 2 244.310 0.714 20 0 BCADLO COC/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537358 589524805 /nfs/dbraw/zinc/52/48/05/589524805.db2.gz IALZVARQDJUDFN-ZMWSMAPVSA-N 1 2 235.287 0.517 20 0 BCADLO CCCN(C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000867538006 589524863 /nfs/dbraw/zinc/52/48/63/589524863.db2.gz DVPHXYNGKZGLEK-SNVBAGLBSA-N 1 2 229.324 0.057 20 0 BCADLO CCCN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000867538006 589524865 /nfs/dbraw/zinc/52/48/65/589524865.db2.gz DVPHXYNGKZGLEK-SNVBAGLBSA-N 1 2 229.324 0.057 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCCCO1 ZINC000867710934 589531621 /nfs/dbraw/zinc/53/16/21/589531621.db2.gz LDDFMDHDOJWFHU-SECBINFHSA-N 1 2 225.248 0.387 20 0 BCADLO CC1CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867831936 589535776 /nfs/dbraw/zinc/53/57/76/589535776.db2.gz BYOCOOHFUVGXSP-NSCUHMNNSA-N 1 2 224.304 0.353 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868317748 589554533 /nfs/dbraw/zinc/55/45/33/589554533.db2.gz QEHJLRNULSYTKK-DQOJRVPBSA-N 1 2 238.331 0.790 20 0 BCADLO Cc1oc(C(=O)NCc2c[nH+]cn2C)cc1CO ZINC000868412786 589557358 /nfs/dbraw/zinc/55/73/58/589557358.db2.gz IHSHSFZMPFMWMR-UHFFFAOYSA-N 1 2 249.270 0.744 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]1C(F)(F)F ZINC000868439883 589558067 /nfs/dbraw/zinc/55/80/67/589558067.db2.gz YXAHMWOPDMCZAH-RQJHMYQMSA-N 1 2 249.192 0.606 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC(C2CC2)C1 ZINC000868481503 589560210 /nfs/dbraw/zinc/56/02/10/589560210.db2.gz HABBWBMOUXJPNQ-JTQLQIEISA-N 1 2 221.260 0.312 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NCCCCF ZINC000868482592 589560451 /nfs/dbraw/zinc/56/04/51/589560451.db2.gz RKWHLOPWRRJIAN-ONEGZZNKSA-N 1 2 244.310 0.741 20 0 BCADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000868485784 589560709 /nfs/dbraw/zinc/56/07/09/589560709.db2.gz DFRQISKHDHEZCV-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868493421 589560777 /nfs/dbraw/zinc/56/07/77/589560777.db2.gz QWQGBBXDGMUSCT-WPRPVWTQSA-N 1 2 241.291 0.327 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868539029 589563064 /nfs/dbraw/zinc/56/30/64/589563064.db2.gz MSESKPHANGQRSL-IONNQARKSA-N 1 2 209.249 0.454 20 0 BCADLO C[C@H](F)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868573406 589564710 /nfs/dbraw/zinc/56/47/10/589564710.db2.gz DHYSFAINANSDJK-VUDBWIFFSA-N 1 2 244.310 0.739 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)[C@H]1C ZINC000868577816 589565085 /nfs/dbraw/zinc/56/50/85/589565085.db2.gz SAAJNHCNKLTHAP-BKGLOODYSA-N 1 2 238.331 0.742 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000868577027 589565108 /nfs/dbraw/zinc/56/51/08/589565108.db2.gz LYXQVASXIDJDFT-FJXKBIBVSA-N 1 2 209.249 0.310 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H]1C1CC1 ZINC000868651913 589570473 /nfs/dbraw/zinc/57/04/73/589570473.db2.gz WOXIEVHOGDLPMX-UWVGGRQHSA-N 1 2 221.260 0.454 20 0 BCADLO O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCOC1 ZINC000868688795 589573090 /nfs/dbraw/zinc/57/30/90/589573090.db2.gz FIJRBAIEIAUGDP-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCOC1 ZINC000868688795 589573091 /nfs/dbraw/zinc/57/30/91/589573091.db2.gz FIJRBAIEIAUGDP-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000869114867 589589606 /nfs/dbraw/zinc/58/96/06/589589606.db2.gz KRYGKKCLYHQVQR-QMMMGPOBSA-N 1 2 211.265 0.700 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](F)C1 ZINC000869169528 589591612 /nfs/dbraw/zinc/59/16/12/589591612.db2.gz QFLVRVIRMMHKIS-VXNVDRBHSA-N 1 2 227.239 0.404 20 0 BCADLO CC(C)ONC(=O)NCc1c[nH+]cn1C ZINC000869223988 589592899 /nfs/dbraw/zinc/59/28/99/589592899.db2.gz VDQSGKGVFUFUCD-UHFFFAOYSA-N 1 2 212.253 0.559 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C=CCC1 ZINC000869243261 589593160 /nfs/dbraw/zinc/59/31/60/589593160.db2.gz PPKIQLYSASPQBA-UXONFWTHSA-N 1 2 236.315 0.710 20 0 BCADLO CN(C[C@@H]1CC1(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869326381 589599207 /nfs/dbraw/zinc/59/92/07/589599207.db2.gz RZSJWCZQMIFCMI-WPRPVWTQSA-N 1 2 237.303 0.948 20 0 BCADLO C/C=C\CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869456383 589606962 /nfs/dbraw/zinc/60/69/62/589606962.db2.gz MPLBOGBWDSSCGU-LDIADDGTSA-N 1 2 224.304 0.567 20 0 BCADLO C/C=C/CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869456385 589607027 /nfs/dbraw/zinc/60/70/27/589607027.db2.gz MPLBOGBWDSSCGU-MQQKCMAXSA-N 1 2 224.304 0.567 20 0 BCADLO CC(C)(F)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869623185 589617416 /nfs/dbraw/zinc/61/74/16/589617416.db2.gz UNTYRJRRXFOXDZ-ONEGZZNKSA-N 1 2 244.310 0.739 20 0 BCADLO CCOC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000869768027 589628890 /nfs/dbraw/zinc/62/88/90/589628890.db2.gz YUIXDUMXEHRGRK-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)OCCO ZINC000869973078 589639304 /nfs/dbraw/zinc/63/93/04/589639304.db2.gz YATCHFDBAGCDQU-UHFFFAOYSA-N 1 2 238.218 0.551 20 0 BCADLO COCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122892392 589642947 /nfs/dbraw/zinc/64/29/47/589642947.db2.gz IUPAMWAYVRTORS-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(F)n1 ZINC000122997730 589647930 /nfs/dbraw/zinc/64/79/30/589647930.db2.gz NRMCYWNVIZNYNU-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(NC1COC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000870867615 589692430 /nfs/dbraw/zinc/69/24/30/589692430.db2.gz SSGSCOOXWKDNCD-UHFFFAOYSA-N 1 2 244.254 0.396 20 0 BCADLO Cc1nc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000123387392 589695702 /nfs/dbraw/zinc/69/57/02/589695702.db2.gz IRVKTPNCGAOMOF-MRVPVSSYSA-N 1 2 249.274 0.641 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccnc(F)c1 ZINC000871006230 589709420 /nfs/dbraw/zinc/70/94/20/589709420.db2.gz FTLHVHISYMMQBA-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO COC(=O)C1CC(NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000871547946 589766998 /nfs/dbraw/zinc/76/69/98/589766998.db2.gz NANCOJHGRKPCSD-UHFFFAOYSA-N 1 2 237.259 0.400 20 0 BCADLO COC[C@H](CO[NH+]=C(N)COC1CCC1)OC ZINC000871778304 589813843 /nfs/dbraw/zinc/81/38/43/589813843.db2.gz BPSSJOCZGUWIPN-SNVBAGLBSA-N 1 2 246.307 0.715 20 0 BCADLO CN1CC[C@H](O[NH+]=C(N)COC2CCC2)C1=O ZINC000871776600 589814312 /nfs/dbraw/zinc/81/43/12/589814312.db2.gz XIMCUCSNQIBKHP-VIFPVBQESA-N 1 2 241.291 0.285 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)COC1CCC1 ZINC000871779050 589814646 /nfs/dbraw/zinc/81/46/46/589814646.db2.gz ZNRDIJFLHSGUJX-MRVPVSSYSA-N 1 2 216.281 0.825 20 0 BCADLO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C(=O)OC ZINC000871906847 589831734 /nfs/dbraw/zinc/83/17/34/589831734.db2.gz PTHXNKBVTXQMRE-KTWSDMTRSA-N 1 2 239.315 0.951 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1ccon1 ZINC000873143230 589986408 /nfs/dbraw/zinc/98/64/08/589986408.db2.gz YSWQXXIOULJKQW-UHFFFAOYSA-N 1 2 227.264 0.564 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1cnn(CC)n1 ZINC000873172277 589990010 /nfs/dbraw/zinc/99/00/10/589990010.db2.gz SALBPDCWRUVNCW-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(N)cn2)[C@H](C)C1 ZINC000873205874 589994261 /nfs/dbraw/zinc/99/42/61/589994261.db2.gz UEZULZCCGPBMCD-SECBINFHSA-N 1 2 249.318 0.111 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(N)cn2)[C@H](C)C1 ZINC000873205874 589994264 /nfs/dbraw/zinc/99/42/64/589994264.db2.gz UEZULZCCGPBMCD-SECBINFHSA-N 1 2 249.318 0.111 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)=O ZINC000873363832 590031146 /nfs/dbraw/zinc/03/11/46/590031146.db2.gz VFYNXBMPIHKKRY-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)=O ZINC000873363832 590031149 /nfs/dbraw/zinc/03/11/49/590031149.db2.gz VFYNXBMPIHKKRY-QWRGUYRKSA-N 1 2 243.303 0.618 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874086534 590090646 /nfs/dbraw/zinc/09/06/46/590090646.db2.gz JZBIIDCUWBHKGR-PHDIDXHHSA-N 1 2 218.220 0.270 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874086534 590090647 /nfs/dbraw/zinc/09/06/47/590090647.db2.gz JZBIIDCUWBHKGR-PHDIDXHHSA-N 1 2 218.220 0.270 20 0 BCADLO CNC(=O)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124914102 590098534 /nfs/dbraw/zinc/09/85/34/590098534.db2.gz HIPJXCOBEMFNOP-QMMMGPOBSA-N 1 2 223.276 0.317 20 0 BCADLO CCONC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000124985748 590107000 /nfs/dbraw/zinc/10/70/00/590107000.db2.gz JYWYDTPKDKWAIR-VHSXEESVSA-N 1 2 245.323 0.346 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)OC ZINC000874703602 590124508 /nfs/dbraw/zinc/12/45/08/590124508.db2.gz RUBRQPIIBAJIBV-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)OC ZINC000874703602 590124509 /nfs/dbraw/zinc/12/45/09/590124509.db2.gz RUBRQPIIBAJIBV-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874698622 590124552 /nfs/dbraw/zinc/12/45/52/590124552.db2.gz IRNOPCNSARFYDB-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874698622 590124554 /nfs/dbraw/zinc/12/45/54/590124554.db2.gz IRNOPCNSARFYDB-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOC1CC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)C1 ZINC000874802044 590138279 /nfs/dbraw/zinc/13/82/79/590138279.db2.gz SNBZTQNPGWWTKI-QWKFWESOSA-N 1 2 249.314 0.957 20 0 BCADLO CC(C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000874977051 590158409 /nfs/dbraw/zinc/15/84/09/590158409.db2.gz OHOHGGFEGMTXGI-MRVPVSSYSA-N 1 2 208.265 0.515 20 0 BCADLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000875016727 590159527 /nfs/dbraw/zinc/15/95/27/590159527.db2.gz VPBUBYPYRMRUAQ-WCBMZHEXSA-N 1 2 234.303 0.906 20 0 BCADLO C/C=C/CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875195362 590161324 /nfs/dbraw/zinc/16/13/24/590161324.db2.gz NOTKUAOZWJZMLT-UFFNRZRYSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C/CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875195362 590161326 /nfs/dbraw/zinc/16/13/26/590161326.db2.gz NOTKUAOZWJZMLT-UFFNRZRYSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C/CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875195361 590161391 /nfs/dbraw/zinc/16/13/91/590161391.db2.gz NOTKUAOZWJZMLT-PGLGOXFNSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C/CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875195361 590161393 /nfs/dbraw/zinc/16/13/93/590161393.db2.gz NOTKUAOZWJZMLT-PGLGOXFNSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C\CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875195360 590162039 /nfs/dbraw/zinc/16/20/39/590162039.db2.gz NOTKUAOZWJZMLT-DLRQAJBASA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C\CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875195360 590162040 /nfs/dbraw/zinc/16/20/40/590162040.db2.gz NOTKUAOZWJZMLT-DLRQAJBASA-N 1 2 241.335 0.582 20 0 BCADLO C[C@@H](NC(=O)c1cnsn1)c1[nH]cc[nH+]1 ZINC000125394459 590163208 /nfs/dbraw/zinc/16/32/08/590163208.db2.gz NKGDWOPHTRBFKX-RXMQYKEDSA-N 1 2 223.261 0.752 20 0 BCADLO O=C(NOCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875619351 590166777 /nfs/dbraw/zinc/16/67/77/590166777.db2.gz MOALLZRMKSBMFW-SECBINFHSA-N 1 2 236.275 0.449 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC=CC1 ZINC000875628731 590167168 /nfs/dbraw/zinc/16/71/68/590167168.db2.gz ZRRHJTWSISMLQP-SECBINFHSA-N 1 2 218.260 0.909 20 0 BCADLO CC[C@H](CO)N(C)C(=O)NCc1c[nH+]cn1C ZINC000876305860 590194224 /nfs/dbraw/zinc/19/42/24/590194224.db2.gz WIWKSKCMTKGHJV-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO C[C@@H]1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)CO1 ZINC000888719188 590195427 /nfs/dbraw/zinc/19/54/27/590195427.db2.gz JIJPOQXXPOKRFC-XSRFYTQQSA-N 1 2 249.314 0.957 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1ccc(=O)[nH]c1 ZINC000876685441 590230525 /nfs/dbraw/zinc/23/05/25/590230525.db2.gz FGLDHFHEGKPWLE-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1ccc(=O)[nH]c1 ZINC000876685441 590230526 /nfs/dbraw/zinc/23/05/26/590230526.db2.gz FGLDHFHEGKPWLE-UHFFFAOYSA-N 1 2 224.260 0.782 20 0 BCADLO CCCn1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1 ZINC000876761396 590239259 /nfs/dbraw/zinc/23/92/59/590239259.db2.gz VUCWSNMDZOTSPT-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCCn1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1 ZINC000876761396 590239261 /nfs/dbraw/zinc/23/92/61/590239261.db2.gz VUCWSNMDZOTSPT-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CO[C@H](C[NH2+]Cc1ncnn1C)C(F)(F)F ZINC000877026499 590271062 /nfs/dbraw/zinc/27/10/62/590271062.db2.gz DETWQFZGCMGHBB-ZCFIWIBFSA-N 1 2 238.213 0.482 20 0 BCADLO O=C(Nc1ccn(CCF)n1)[C@@H]1CSC[NH2+]1 ZINC000877263846 590304542 /nfs/dbraw/zinc/30/45/42/590304542.db2.gz DTXAYKULEPEVNL-ZETCQYMHSA-N 1 2 244.295 0.454 20 0 BCADLO CCCn1cc(C[N@H+](C)C2CC(O)C2)nn1 ZINC000877343974 590318002 /nfs/dbraw/zinc/31/80/02/590318002.db2.gz BRURJAOOGBFPAO-UHFFFAOYSA-N 1 2 224.308 0.643 20 0 BCADLO CCCn1cc(C[N@@H+](C)C2CC(O)C2)nn1 ZINC000877343974 590318005 /nfs/dbraw/zinc/31/80/05/590318005.db2.gz BRURJAOOGBFPAO-UHFFFAOYSA-N 1 2 224.308 0.643 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000877470528 590335172 /nfs/dbraw/zinc/33/51/72/590335172.db2.gz FWGKQTZJETVDDC-NXEZZACHSA-N 1 2 237.303 0.949 20 0 BCADLO CC1C[NH+](Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000877487427 590338678 /nfs/dbraw/zinc/33/86/78/590338678.db2.gz FQUGCZNLRSIKRZ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000877487176 590338780 /nfs/dbraw/zinc/33/87/80/590338780.db2.gz VXPLJFUNCJRTSD-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000877487176 590338783 /nfs/dbraw/zinc/33/87/83/590338783.db2.gz VXPLJFUNCJRTSD-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CC[C@H](C)[C@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596758 590369582 /nfs/dbraw/zinc/36/95/82/590369582.db2.gz SLUIMEXSTWCWIS-UWVGGRQHSA-N 1 2 242.319 0.842 20 0 BCADLO CCC[C@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877595937 590369648 /nfs/dbraw/zinc/36/96/48/590369648.db2.gz GDCFJHMHUXWSQB-SECBINFHSA-N 1 2 228.292 0.596 20 0 BCADLO CC[C@H](C)[C@@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596760 590369973 /nfs/dbraw/zinc/36/99/73/590369973.db2.gz SLUIMEXSTWCWIS-VHSXEESVSA-N 1 2 242.319 0.842 20 0 BCADLO CO[C@@H](C[NH+]1CC2(C1)CN(C)C(=O)O2)C1CC1 ZINC000877595540 590370176 /nfs/dbraw/zinc/37/01/76/590370176.db2.gz DKTKZPWAPYNXIT-JTQLQIEISA-N 1 2 240.303 0.548 20 0 BCADLO COCC1(C[NH+]2CC3(C2)CNC(=O)O3)CCC1 ZINC000877596574 590370238 /nfs/dbraw/zinc/37/02/38/590370238.db2.gz OHEUZMHERDCXLG-UHFFFAOYSA-N 1 2 240.303 0.597 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000877603333 590371655 /nfs/dbraw/zinc/37/16/55/590371655.db2.gz KVXSFJJODBYYET-UHFFFAOYSA-N 1 2 240.694 0.437 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000877614039 590373832 /nfs/dbraw/zinc/37/38/32/590373832.db2.gz UDFMEKKWRDEFHW-RNFRBKRXSA-N 1 2 222.235 0.687 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@@H]1O ZINC000877748621 590412767 /nfs/dbraw/zinc/41/27/67/590412767.db2.gz HSUKPZWNOGUUDM-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H]1O ZINC000877748621 590412768 /nfs/dbraw/zinc/41/27/68/590412768.db2.gz HSUKPZWNOGUUDM-NEPJUHHUSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1O ZINC000877749586 590413212 /nfs/dbraw/zinc/41/32/12/590413212.db2.gz NSWQEZSVSLBQQV-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1O ZINC000877749586 590413214 /nfs/dbraw/zinc/41/32/14/590413214.db2.gz NSWQEZSVSLBQQV-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O=S1(=O)C[C@H]2CC[N@@H+](CC3(F)CC3)C[C@H]2C1 ZINC000877790865 590424209 /nfs/dbraw/zinc/42/42/09/590424209.db2.gz OOHKPPLFDHFGKF-ZJUUUORDSA-N 1 2 247.335 0.855 20 0 BCADLO O=S1(=O)C[C@H]2CC[N@H+](CC3(F)CC3)C[C@H]2C1 ZINC000877790865 590424211 /nfs/dbraw/zinc/42/42/11/590424211.db2.gz OOHKPPLFDHFGKF-ZJUUUORDSA-N 1 2 247.335 0.855 20 0 BCADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)nn1 ZINC000877833368 590427969 /nfs/dbraw/zinc/42/79/69/590427969.db2.gz GDWZAZHPYZQWPN-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)nn1 ZINC000877833368 590427970 /nfs/dbraw/zinc/42/79/70/590427970.db2.gz GDWZAZHPYZQWPN-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO O[C@H](C[NH+]1CCOCC1)CC1(O)CCCCC1 ZINC000877900976 590443208 /nfs/dbraw/zinc/44/32/08/590443208.db2.gz PADDIWAZPOHUOP-LBPRGKRZSA-N 1 2 243.347 0.765 20 0 BCADLO Cc1cccnc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000877943872 590453673 /nfs/dbraw/zinc/45/36/73/590453673.db2.gz DUPSSUXTCQYIIQ-UHFFFAOYSA-N 1 2 249.314 0.785 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878030690 590474533 /nfs/dbraw/zinc/47/45/33/590474533.db2.gz FWSKEBCZTVKVCW-QMMMGPOBSA-N 1 2 233.275 0.259 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878030690 590474535 /nfs/dbraw/zinc/47/45/35/590474535.db2.gz FWSKEBCZTVKVCW-QMMMGPOBSA-N 1 2 233.275 0.259 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878040731 590478084 /nfs/dbraw/zinc/47/80/84/590478084.db2.gz MYZWPJXAEVMQGL-WISYIIOYSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878040731 590478086 /nfs/dbraw/zinc/47/80/86/590478086.db2.gz MYZWPJXAEVMQGL-WISYIIOYSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCCOC(F)(F)F ZINC000878041113 590478491 /nfs/dbraw/zinc/47/84/91/590478491.db2.gz SBSHPIAUDVQMLJ-ZETCQYMHSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCCOC(F)(F)F ZINC000878041113 590478494 /nfs/dbraw/zinc/47/84/94/590478494.db2.gz SBSHPIAUDVQMLJ-ZETCQYMHSA-N 1 2 240.225 0.733 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CC(C)(C)CO1 ZINC000878043998 590479667 /nfs/dbraw/zinc/47/96/67/590479667.db2.gz DFPNRBUEYGEPIU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1CC(C)(C)CO1 ZINC000878043998 590479666 /nfs/dbraw/zinc/47/96/66/590479666.db2.gz DFPNRBUEYGEPIU-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H](C)[N@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878234026 590527572 /nfs/dbraw/zinc/52/75/72/590527572.db2.gz QYCUGFPQZAQQPM-ABKXIKBNSA-N 1 2 249.380 0.818 20 0 BCADLO CC[C@@H](C)[N@@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878234026 590527575 /nfs/dbraw/zinc/52/75/75/590527575.db2.gz QYCUGFPQZAQQPM-ABKXIKBNSA-N 1 2 249.380 0.818 20 0 BCADLO CC(=O)CN1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000878266640 590531575 /nfs/dbraw/zinc/53/15/75/590531575.db2.gz YQGKNIFISCWBNX-JTQLQIEISA-N 1 2 241.360 0.684 20 0 BCADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000878291463 590535438 /nfs/dbraw/zinc/53/54/38/590535438.db2.gz KGKKQQWPQCTREP-SNVBAGLBSA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000878291463 590535440 /nfs/dbraw/zinc/53/54/40/590535440.db2.gz KGKKQQWPQCTREP-SNVBAGLBSA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000878291463 590535441 /nfs/dbraw/zinc/53/54/41/590535441.db2.gz KGKKQQWPQCTREP-SNVBAGLBSA-N 1 2 239.319 0.290 20 0 BCADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000878291463 590535442 /nfs/dbraw/zinc/53/54/42/590535442.db2.gz KGKKQQWPQCTREP-SNVBAGLBSA-N 1 2 239.319 0.290 20 0 BCADLO Cc1conc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000878336896 590549746 /nfs/dbraw/zinc/54/97/46/590549746.db2.gz VHSOKWSKDCRZQB-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1conc1C[N@H+](C)CCNC(=O)N(C)C ZINC000878336896 590549748 /nfs/dbraw/zinc/54/97/48/590549748.db2.gz VHSOKWSKDCRZQB-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cnccn1 ZINC000878481687 590576067 /nfs/dbraw/zinc/57/60/67/590576067.db2.gz FVIYRUKMTHHKEK-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cnccn1 ZINC000878481687 590576070 /nfs/dbraw/zinc/57/60/70/590576070.db2.gz FVIYRUKMTHHKEK-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO Cc1conc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000878500966 590580201 /nfs/dbraw/zinc/58/02/01/590580201.db2.gz KBUUEWRJUZRWEH-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1conc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000878500966 590580202 /nfs/dbraw/zinc/58/02/02/590580202.db2.gz KBUUEWRJUZRWEH-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO CCN(C#N)CC[NH+]1CC(O)(C(C)C)C1 ZINC000878519791 590584467 /nfs/dbraw/zinc/58/44/67/590584467.db2.gz VPJGMLJNECCNCX-UHFFFAOYSA-N 1 2 211.309 0.492 20 0 BCADLO C[N@H+](CCCO)Cc1nccn1CC(F)F ZINC000878556923 590591949 /nfs/dbraw/zinc/59/19/49/590591949.db2.gz WXXHUWJLMSFIEO-UHFFFAOYSA-N 1 2 233.262 0.962 20 0 BCADLO C[N@@H+](CCCO)Cc1nccn1CC(F)F ZINC000878556923 590591950 /nfs/dbraw/zinc/59/19/50/590591950.db2.gz WXXHUWJLMSFIEO-UHFFFAOYSA-N 1 2 233.262 0.962 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)COC2CC2)CCO1 ZINC000878592927 590594132 /nfs/dbraw/zinc/59/41/32/590594132.db2.gz VVGLEJBMVBSZTF-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)COC2CC2)CCO1 ZINC000878592927 590594133 /nfs/dbraw/zinc/59/41/33/590594133.db2.gz VVGLEJBMVBSZTF-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO Cn1nccc1C[N@H+](C)C(C)(C)C(N)=O ZINC000878659504 590604758 /nfs/dbraw/zinc/60/47/58/590604758.db2.gz TWOBURWNMPGVSY-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO Cn1nccc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000878659504 590604760 /nfs/dbraw/zinc/60/47/60/590604760.db2.gz TWOBURWNMPGVSY-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CON1CC[NH+](Cc2ccns2)CC1 ZINC000878686244 590609695 /nfs/dbraw/zinc/60/96/95/590609695.db2.gz VZQNGAADYZMLND-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CNC(=O)NC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000878713413 590614363 /nfs/dbraw/zinc/61/43/63/590614363.db2.gz QPTJSEBLXOAMMN-UHFFFAOYSA-N 1 2 237.307 0.303 20 0 BCADLO CNC(=O)NC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000878713413 590614364 /nfs/dbraw/zinc/61/43/64/590614364.db2.gz QPTJSEBLXOAMMN-UHFFFAOYSA-N 1 2 237.307 0.303 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC[S@](C)=O)[C@@H](C)C(=O)N1C ZINC000878751613 590618995 /nfs/dbraw/zinc/61/89/95/590618995.db2.gz BIXVUGWXVCNISE-TWTBIMQBSA-N 1 2 246.376 0.304 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC[S@](C)=O)[C@@H](C)C(=O)N1C ZINC000878751613 590618996 /nfs/dbraw/zinc/61/89/96/590618996.db2.gz BIXVUGWXVCNISE-TWTBIMQBSA-N 1 2 246.376 0.304 20 0 BCADLO O=C(C[N@H+]1CCC=C(Cl)C1)N1CCNC1=O ZINC000878793860 590624497 /nfs/dbraw/zinc/62/44/97/590624497.db2.gz VYJJPMRKLMHEES-UHFFFAOYSA-N 1 2 243.694 0.367 20 0 BCADLO O=C(C[N@@H+]1CCC=C(Cl)C1)N1CCNC1=O ZINC000878793860 590624499 /nfs/dbraw/zinc/62/44/99/590624499.db2.gz VYJJPMRKLMHEES-UHFFFAOYSA-N 1 2 243.694 0.367 20 0 BCADLO Cl/C=C\C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878822545 590627991 /nfs/dbraw/zinc/62/79/91/590627991.db2.gz ABBIRLKNAYAPKA-UPHRSURJSA-N 1 2 227.699 0.679 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)CC(C)(C)O ZINC000878885081 590640636 /nfs/dbraw/zinc/64/06/36/590640636.db2.gz UWXCJSDEFZAOHI-SNVBAGLBSA-N 1 2 227.308 0.363 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)CC(C)(C)O ZINC000878885081 590640640 /nfs/dbraw/zinc/64/06/40/590640640.db2.gz UWXCJSDEFZAOHI-SNVBAGLBSA-N 1 2 227.308 0.363 20 0 BCADLO C[N@H+](Cc1ccns1)[C@H]1CCC(=O)NC1=O ZINC000878899775 590643393 /nfs/dbraw/zinc/64/33/93/590643393.db2.gz NOWMEBOWFARWBU-QMMMGPOBSA-N 1 2 239.300 0.380 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@H]1CCC(=O)NC1=O ZINC000878899775 590643399 /nfs/dbraw/zinc/64/33/99/590643399.db2.gz NOWMEBOWFARWBU-QMMMGPOBSA-N 1 2 239.300 0.380 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000878907223 590644634 /nfs/dbraw/zinc/64/46/34/590644634.db2.gz AUJWOLKWLPIMSX-INTQDDNPSA-N 1 2 235.287 0.841 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000878907223 590644636 /nfs/dbraw/zinc/64/46/36/590644636.db2.gz AUJWOLKWLPIMSX-INTQDDNPSA-N 1 2 235.287 0.841 20 0 BCADLO CC(C)[C@H](O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000878950307 590658270 /nfs/dbraw/zinc/65/82/70/590658270.db2.gz QICRBXTUSWKVRI-LLVKDONJSA-N 1 2 226.324 0.654 20 0 BCADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000878950307 590658274 /nfs/dbraw/zinc/65/82/74/590658274.db2.gz QICRBXTUSWKVRI-LLVKDONJSA-N 1 2 226.324 0.654 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CCO1 ZINC000878969879 590663179 /nfs/dbraw/zinc/66/31/79/590663179.db2.gz FRONLCLOWRYUNM-VHSXEESVSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CCO1 ZINC000878969879 590663183 /nfs/dbraw/zinc/66/31/83/590663183.db2.gz FRONLCLOWRYUNM-VHSXEESVSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@H]1C[N@H+](CCCN2CCOC2=O)CCO1 ZINC000878967907 590663886 /nfs/dbraw/zinc/66/38/86/590663886.db2.gz WOTNKYIGUKNTHE-SNVBAGLBSA-N 1 2 244.291 0.133 20 0 BCADLO CO[C@H]1C[N@@H+](CCCN2CCOC2=O)CCO1 ZINC000878967907 590663890 /nfs/dbraw/zinc/66/38/90/590663890.db2.gz WOTNKYIGUKNTHE-SNVBAGLBSA-N 1 2 244.291 0.133 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975546 590666446 /nfs/dbraw/zinc/66/64/46/590666446.db2.gz FFIZYYUIUMWUAO-HWPZZCPQSA-N 1 2 239.344 0.992 20 0 BCADLO C[S@](=O)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975546 590666449 /nfs/dbraw/zinc/66/64/49/590666449.db2.gz FFIZYYUIUMWUAO-HWPZZCPQSA-N 1 2 239.344 0.992 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044216 590685437 /nfs/dbraw/zinc/68/54/37/590685437.db2.gz BEYLSVGDJGTICU-CBAPKCEASA-N 1 2 246.282 0.083 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000879043588 590685519 /nfs/dbraw/zinc/68/55/19/590685519.db2.gz IXQGLIXHTMLIPE-SNVBAGLBSA-N 1 2 240.282 0.445 20 0 BCADLO Cc1cc(NC(=O)NC[C@H]2C[C@H](O)C2)cc[nH+]1 ZINC000879071926 590691600 /nfs/dbraw/zinc/69/16/00/590691600.db2.gz YIBNDXBQUGFOAD-HOMQSWHASA-N 1 2 235.287 0.704 20 0 BCADLO Cc1cc(NC(=O)N2CC=C[C@@H]2CO)c(C)c[nH+]1 ZINC000879075383 590693220 /nfs/dbraw/zinc/69/32/20/590693220.db2.gz JNWKJTDJECBNGG-LLVKDONJSA-N 1 2 247.298 0.885 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000879184971 590709957 /nfs/dbraw/zinc/70/99/57/590709957.db2.gz ASIMANWGCLZFKY-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000879184971 590709958 /nfs/dbraw/zinc/70/99/58/590709958.db2.gz ASIMANWGCLZFKY-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC1OCCO1 ZINC000879187804 590710953 /nfs/dbraw/zinc/71/09/53/590710953.db2.gz CLSRJKQIGNXFLA-UHFFFAOYSA-N 1 2 211.265 0.523 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC1OCCO1 ZINC000879187804 590710956 /nfs/dbraw/zinc/71/09/56/590710956.db2.gz CLSRJKQIGNXFLA-UHFFFAOYSA-N 1 2 211.265 0.523 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COC2CC2)C1 ZINC000879298141 590730460 /nfs/dbraw/zinc/73/04/60/590730460.db2.gz UZABSZKSXIOVKO-JTQLQIEISA-N 1 2 249.314 0.915 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000879324807 590744844 /nfs/dbraw/zinc/74/48/44/590744844.db2.gz JZPRCLHFNOUKEH-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000879324807 590744845 /nfs/dbraw/zinc/74/48/45/590744845.db2.gz JZPRCLHFNOUKEH-BDAKNGLRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cnn(C)n2)C1 ZINC000879325825 590746412 /nfs/dbraw/zinc/74/64/12/590746412.db2.gz ODRHBTXPVYHGKY-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cnn(C)n2)C1 ZINC000879325825 590746413 /nfs/dbraw/zinc/74/64/13/590746413.db2.gz ODRHBTXPVYHGKY-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1cnsn1 ZINC000879548312 590798240 /nfs/dbraw/zinc/79/82/40/590798240.db2.gz HDCBLVNRWLPUED-UHFFFAOYSA-N 1 2 238.276 0.593 20 0 BCADLO C[N@@H+]1CC[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]21 ZINC000879581988 590820946 /nfs/dbraw/zinc/82/09/46/590820946.db2.gz PECXDFKJPWVXQS-BDAKNGLRSA-N 1 2 237.307 0.036 20 0 BCADLO C[N@H+]1CC[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]21 ZINC000879581988 590820949 /nfs/dbraw/zinc/82/09/49/590820949.db2.gz PECXDFKJPWVXQS-BDAKNGLRSA-N 1 2 237.307 0.036 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1O ZINC000879609171 590825669 /nfs/dbraw/zinc/82/56/69/590825669.db2.gz PJKQGSMOIKBHRN-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1O ZINC000879609171 590825672 /nfs/dbraw/zinc/82/56/72/590825672.db2.gz PJKQGSMOIKBHRN-MNOVXSKESA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1O ZINC000879610978 590830521 /nfs/dbraw/zinc/83/05/21/590830521.db2.gz CDMWYUVLCLLFHI-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1O ZINC000879610978 590830522 /nfs/dbraw/zinc/83/05/22/590830522.db2.gz CDMWYUVLCLLFHI-ZJUUUORDSA-N 1 2 242.706 0.663 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@@H]12 ZINC000879721847 590854948 /nfs/dbraw/zinc/85/49/48/590854948.db2.gz JFQPHOWFHVGRMK-QWZJGYIASA-N 1 2 244.722 0.718 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@H+](C/C=C/Cl)[C@@H]12 ZINC000879721847 590854949 /nfs/dbraw/zinc/85/49/49/590854949.db2.gz JFQPHOWFHVGRMK-QWZJGYIASA-N 1 2 244.722 0.718 20 0 BCADLO O=C(NCC(F)F)N[C@H]1CCn2cc[nH+]c21 ZINC000879756024 590864022 /nfs/dbraw/zinc/86/40/22/590864022.db2.gz QFAXSSWVGBMJMS-LURJTMIESA-N 1 2 230.218 0.892 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000879964536 590900152 /nfs/dbraw/zinc/90/01/52/590900152.db2.gz ITJNDTXUIBPVPE-JTQLQIEISA-N 1 2 238.335 0.830 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000879964536 590900155 /nfs/dbraw/zinc/90/01/55/590900155.db2.gz ITJNDTXUIBPVPE-JTQLQIEISA-N 1 2 238.335 0.830 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCC(=O)OC ZINC000879981951 590904138 /nfs/dbraw/zinc/90/41/38/590904138.db2.gz ABRCYOXCHJVQBA-SNVBAGLBSA-N 1 2 243.303 0.871 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC1CC1 ZINC000880027517 590912160 /nfs/dbraw/zinc/91/21/60/590912160.db2.gz SJUIMYDEIKWVCE-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO CC(C)(O)CC[N@@H+]1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880072327 590918858 /nfs/dbraw/zinc/91/88/58/590918858.db2.gz SOFJSLFVBJCDLL-NWDGAFQWSA-N 1 2 242.363 0.288 20 0 BCADLO CC(C)(O)CC[N@H+]1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880072327 590918860 /nfs/dbraw/zinc/91/88/60/590918860.db2.gz SOFJSLFVBJCDLL-NWDGAFQWSA-N 1 2 242.363 0.288 20 0 BCADLO CC(C)(O)[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000880149018 590940654 /nfs/dbraw/zinc/94/06/54/590940654.db2.gz SDSODQPYUPSXKC-VIFPVBQESA-N 1 2 224.308 0.440 20 0 BCADLO CC(C)(O)[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000880149018 590940656 /nfs/dbraw/zinc/94/06/56/590940656.db2.gz SDSODQPYUPSXKC-VIFPVBQESA-N 1 2 224.308 0.440 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880232580 590962334 /nfs/dbraw/zinc/96/23/34/590962334.db2.gz NXFIYRSYRURSEI-MRVPVSSYSA-N 1 2 213.260 0.392 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880232580 590962335 /nfs/dbraw/zinc/96/23/35/590962335.db2.gz NXFIYRSYRURSEI-MRVPVSSYSA-N 1 2 213.260 0.392 20 0 BCADLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1ccon1 ZINC000880291523 590985332 /nfs/dbraw/zinc/98/53/32/590985332.db2.gz NBVGNFVFDAXUTQ-MRVPVSSYSA-N 1 2 227.239 0.905 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1ccon1 ZINC000880291523 590985334 /nfs/dbraw/zinc/98/53/34/590985334.db2.gz NBVGNFVFDAXUTQ-MRVPVSSYSA-N 1 2 227.239 0.905 20 0 BCADLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC000880311925 591001916 /nfs/dbraw/zinc/00/19/16/591001916.db2.gz JCZSAPDWOPJMHB-PHIMTYICSA-N 1 2 249.318 0.023 20 0 BCADLO CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC000880311925 591001920 /nfs/dbraw/zinc/00/19/20/591001920.db2.gz JCZSAPDWOPJMHB-PHIMTYICSA-N 1 2 249.318 0.023 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880335778 591007269 /nfs/dbraw/zinc/00/72/69/591007269.db2.gz MCTBDKGADCETAT-MNOVXSKESA-N 1 2 245.319 0.315 20 0 BCADLO O=C1CC[N@H+](Cc2cccnc2)C2(COC2)CN1 ZINC000880398994 591020558 /nfs/dbraw/zinc/02/05/58/591020558.db2.gz DYIVVPMOZDVTDS-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO O=C1CC[N@@H+](Cc2cccnc2)C2(COC2)CN1 ZINC000880398994 591020562 /nfs/dbraw/zinc/02/05/62/591020562.db2.gz DYIVVPMOZDVTDS-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417556 591026725 /nfs/dbraw/zinc/02/67/25/591026725.db2.gz PILMBDYAOKWJIH-ONGXEEELSA-N 1 2 213.277 0.396 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417556 591026731 /nfs/dbraw/zinc/02/67/31/591026731.db2.gz PILMBDYAOKWJIH-ONGXEEELSA-N 1 2 213.277 0.396 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000880419101 591027783 /nfs/dbraw/zinc/02/77/83/591027783.db2.gz HMCAVCULMCXDEA-ONGXEEELSA-N 1 2 222.292 0.426 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000880419101 591027788 /nfs/dbraw/zinc/02/77/88/591027788.db2.gz HMCAVCULMCXDEA-ONGXEEELSA-N 1 2 222.292 0.426 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1nnc(C)[nH]1 ZINC000880437560 591039469 /nfs/dbraw/zinc/03/94/69/591039469.db2.gz MZMBKXHNXVOMSH-NXEZZACHSA-N 1 2 240.307 0.349 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000880437560 591039472 /nfs/dbraw/zinc/03/94/72/591039472.db2.gz MZMBKXHNXVOMSH-NXEZZACHSA-N 1 2 240.307 0.349 20 0 BCADLO Cc1nc(C[N@H+]2[C@H](C)CC[C@@H]2CO)no1 ZINC000880441000 591043760 /nfs/dbraw/zinc/04/37/60/591043760.db2.gz NDEQUCICSDPBMU-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)no1 ZINC000880441000 591043756 /nfs/dbraw/zinc/04/37/56/591043756.db2.gz NDEQUCICSDPBMU-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCOC1 ZINC000880470610 591052616 /nfs/dbraw/zinc/05/26/16/591052616.db2.gz PHUAHNJUACDLNT-RKDXNWHRSA-N 1 2 240.307 0.805 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CC=C[C@@H]1CO ZINC000880487107 591064213 /nfs/dbraw/zinc/06/42/13/591064213.db2.gz WPZIDKONHMQLEP-SNVBAGLBSA-N 1 2 233.333 0.044 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC=C[C@@H]1CO ZINC000880486177 591061336 /nfs/dbraw/zinc/06/13/36/591061336.db2.gz LJFBAIFTPKQEAH-VHSXEESVSA-N 1 2 213.277 0.561 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC=C[C@@H]1CO ZINC000880486177 591061340 /nfs/dbraw/zinc/06/13/40/591061340.db2.gz LJFBAIFTPKQEAH-VHSXEESVSA-N 1 2 213.277 0.561 20 0 BCADLO Cc1ccnc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880488501 591063523 /nfs/dbraw/zinc/06/35/23/591063523.db2.gz GMWQASJTOKIGTB-JTQLQIEISA-N 1 2 205.261 0.518 20 0 BCADLO Cc1ccnc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880488501 591063526 /nfs/dbraw/zinc/06/35/26/591063526.db2.gz GMWQASJTOKIGTB-JTQLQIEISA-N 1 2 205.261 0.518 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880487107 591064210 /nfs/dbraw/zinc/06/42/10/591064210.db2.gz WPZIDKONHMQLEP-SNVBAGLBSA-N 1 2 233.333 0.044 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880489600 591066427 /nfs/dbraw/zinc/06/64/27/591066427.db2.gz VXTCMHJYOHOVBT-LLVKDONJSA-N 1 2 236.319 0.729 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC=C[C@@H]1CO ZINC000880489600 591066431 /nfs/dbraw/zinc/06/64/31/591066431.db2.gz VXTCMHJYOHOVBT-LLVKDONJSA-N 1 2 236.319 0.729 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000880491467 591068551 /nfs/dbraw/zinc/06/85/51/591068551.db2.gz JWEGTYSXAXYIKV-LBPRGKRZSA-N 1 2 234.303 0.421 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000880491467 591068558 /nfs/dbraw/zinc/06/85/58/591068558.db2.gz JWEGTYSXAXYIKV-LBPRGKRZSA-N 1 2 234.303 0.421 20 0 BCADLO CCn1ncc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880491163 591068785 /nfs/dbraw/zinc/06/87/85/591068785.db2.gz HOPLDHNHGMOTIA-JTQLQIEISA-N 1 2 208.265 0.031 20 0 BCADLO CCn1ncc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880491163 591068787 /nfs/dbraw/zinc/06/87/87/591068787.db2.gz HOPLDHNHGMOTIA-JTQLQIEISA-N 1 2 208.265 0.031 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000880491966 591069826 /nfs/dbraw/zinc/06/98/26/591069826.db2.gz MQUCZELBSCPEHR-JTQLQIEISA-N 1 2 234.303 0.347 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1nnc2n1CCCC2 ZINC000880491966 591069832 /nfs/dbraw/zinc/06/98/32/591069832.db2.gz MQUCZELBSCPEHR-JTQLQIEISA-N 1 2 234.303 0.347 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@]23CCCO3)[nH]1 ZINC000880506152 591078824 /nfs/dbraw/zinc/07/88/24/591078824.db2.gz PSZWUFNKPLNUHO-KCJUWKMLSA-N 1 2 238.291 0.702 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880525419 591084573 /nfs/dbraw/zinc/08/45/73/591084573.db2.gz GLHGHWPRYDGWOH-CMPLNLGQSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880525419 591084578 /nfs/dbraw/zinc/08/45/78/591084578.db2.gz GLHGHWPRYDGWOH-CMPLNLGQSA-N 1 2 248.330 0.521 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588979 591102261 /nfs/dbraw/zinc/10/22/61/591102261.db2.gz ZGHOEPUHRBVXAL-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588979 591102263 /nfs/dbraw/zinc/10/22/63/591102263.db2.gz ZGHOEPUHRBVXAL-JTQLQIEISA-N 1 2 243.351 0.344 20 0 BCADLO CC(C)C[C@@H](C(N)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000880590332 591103122 /nfs/dbraw/zinc/10/31/22/591103122.db2.gz MSYWENLTARMQJD-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1cn(C)cn1 ZINC000880590332 591103115 /nfs/dbraw/zinc/10/31/15/591103115.db2.gz MSYWENLTARMQJD-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1cn(C)cn1 ZINC000880590332 591103118 /nfs/dbraw/zinc/10/31/18/591103118.db2.gz MSYWENLTARMQJD-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCc2ncncc2C1 ZINC000880593529 591104932 /nfs/dbraw/zinc/10/49/32/591104932.db2.gz CCLHTNBOIXIUEN-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCc2ncncc2C1 ZINC000880593529 591104934 /nfs/dbraw/zinc/10/49/34/591104934.db2.gz CCLHTNBOIXIUEN-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2ncncc2C1 ZINC000880599829 591108904 /nfs/dbraw/zinc/10/89/04/591108904.db2.gz RDSLYFQPELRPFP-LBPRGKRZSA-N 1 2 235.287 0.175 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCc2ncncc2C1 ZINC000880599829 591108906 /nfs/dbraw/zinc/10/89/06/591108906.db2.gz RDSLYFQPELRPFP-LBPRGKRZSA-N 1 2 235.287 0.175 20 0 BCADLO CN(C)c1cc(NC(=O)NOCCO)cc[nH+]1 ZINC000880608716 591109295 /nfs/dbraw/zinc/10/92/95/591109295.db2.gz TVWITHIIRDWBJC-UHFFFAOYSA-N 1 2 240.263 0.193 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)N3CC=CC3)cc2C1 ZINC000880821921 591143473 /nfs/dbraw/zinc/14/34/73/591143473.db2.gz HYJAPUNATRSCKO-UHFFFAOYSA-N 1 2 247.302 0.732 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)N3CC=CC3)cc2C1 ZINC000880821921 591143475 /nfs/dbraw/zinc/14/34/75/591143475.db2.gz HYJAPUNATRSCKO-UHFFFAOYSA-N 1 2 247.302 0.732 20 0 BCADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)C(F)F ZINC000881274917 591177197 /nfs/dbraw/zinc/17/71/97/591177197.db2.gz LNLWXYKQUHCLDR-ZCFIWIBFSA-N 1 2 232.234 0.873 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C ZINC000881481792 591211843 /nfs/dbraw/zinc/21/18/43/591211843.db2.gz JMRJPCOTPNTFPG-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C ZINC000881481792 591211846 /nfs/dbraw/zinc/21/18/46/591211846.db2.gz JMRJPCOTPNTFPG-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1[nH+]cnc(N2CCC[C@H](C(N)=O)C2)c1C ZINC000881754216 591269672 /nfs/dbraw/zinc/26/96/72/591269672.db2.gz KJRFZCSJZDIWEO-JTQLQIEISA-N 1 2 234.303 0.795 20 0 BCADLO Cc1ncnc(NC[C@H]2CN(C)CC[N@@H+]2C)c1C ZINC000881966737 591284805 /nfs/dbraw/zinc/28/48/05/591284805.db2.gz JIDRCFNLRNRHEY-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1ncnc(NC[C@H]2CN(C)CC[N@H+]2C)c1C ZINC000881966737 591284806 /nfs/dbraw/zinc/28/48/06/591284806.db2.gz JIDRCFNLRNRHEY-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1[nH+]cnc(NCCN2C(=O)CNC2=O)c1C ZINC000881981103 591285323 /nfs/dbraw/zinc/28/53/23/591285323.db2.gz WAUHKNUDMQTPIK-UHFFFAOYSA-N 1 2 249.274 0.057 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CCC2)C[C@@H]1C ZINC000882015401 591288236 /nfs/dbraw/zinc/28/82/36/591288236.db2.gz UYIVLCLOEJOXHI-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CCC2)C[C@@H]1C ZINC000882015401 591288238 /nfs/dbraw/zinc/28/82/38/591288238.db2.gz UYIVLCLOEJOXHI-JTQLQIEISA-N 1 2 246.376 0.895 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033586 591289667 /nfs/dbraw/zinc/28/96/67/591289667.db2.gz ATWHYZUZVXPNNJ-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033586 591289669 /nfs/dbraw/zinc/28/96/69/591289669.db2.gz ATWHYZUZVXPNNJ-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033587 591289748 /nfs/dbraw/zinc/28/97/48/591289748.db2.gz ATWHYZUZVXPNNJ-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033587 591289749 /nfs/dbraw/zinc/28/97/49/591289749.db2.gz ATWHYZUZVXPNNJ-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1nc[nH+]c(C)c1C ZINC000882049602 591291634 /nfs/dbraw/zinc/29/16/34/591291634.db2.gz CHKQGRZMWSBHIT-MRVPVSSYSA-N 1 2 236.319 0.912 20 0 BCADLO Cc1[nH+]cnc(N2C[C@@H]3C[C@]3(CO)C2)c1C ZINC000882235282 591319125 /nfs/dbraw/zinc/31/91/25/591319125.db2.gz LHZJODLBTOBKHA-CMPLNLGQSA-N 1 2 219.288 0.912 20 0 BCADLO COC[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000882324515 591331644 /nfs/dbraw/zinc/33/16/44/591331644.db2.gz JXAAOEUZSIWXJQ-VIFPVBQESA-N 1 2 211.265 0.513 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@]2(O)C1 ZINC000882346689 591336144 /nfs/dbraw/zinc/33/61/44/591336144.db2.gz WRRYHEUKDIWIIV-NRUUGDAUSA-N 1 2 247.298 0.039 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)C2CCC2)CC1(C)C ZINC000882350707 591337021 /nfs/dbraw/zinc/33/70/21/591337021.db2.gz PNFPQBUDSKDWQH-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)C2CCC2)CC1(C)C ZINC000882350707 591337026 /nfs/dbraw/zinc/33/70/26/591337026.db2.gz PNFPQBUDSKDWQH-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO NC(=O)c1nccnc1N[C@@H]1CCn2cc[nH+]c21 ZINC000882407108 591344558 /nfs/dbraw/zinc/34/45/58/591344558.db2.gz DGLMLTKFNWXDER-SSDOTTSWSA-N 1 2 244.258 0.329 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC000882483559 591357882 /nfs/dbraw/zinc/35/78/82/591357882.db2.gz FDCAICVVPKMLRT-ZETCQYMHSA-N 1 2 226.305 0.362 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC000882483559 591357884 /nfs/dbraw/zinc/35/78/84/591357884.db2.gz FDCAICVVPKMLRT-ZETCQYMHSA-N 1 2 226.305 0.362 20 0 BCADLO COC(=O)COCCNc1nc[nH+]c(C)c1C ZINC000882661132 591407956 /nfs/dbraw/zinc/40/79/56/591407956.db2.gz URNBPZUREHIGDL-UHFFFAOYSA-N 1 2 239.275 0.695 20 0 BCADLO Cc1[nH+]cnc(N2C[C@H](CO)[C@H](CO)C2)c1C ZINC000882706217 591415688 /nfs/dbraw/zinc/41/56/88/591415688.db2.gz QKZGSSCSORHWQP-PHIMTYICSA-N 1 2 237.303 0.130 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000882708909 591416550 /nfs/dbraw/zinc/41/65/50/591416550.db2.gz MCZRPVSXZRSVOD-KOLCDFICSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000882708909 591416551 /nfs/dbraw/zinc/41/65/51/591416551.db2.gz MCZRPVSXZRSVOD-KOLCDFICSA-N 1 2 237.303 0.714 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccco1 ZINC000882764889 591433561 /nfs/dbraw/zinc/43/35/61/591433561.db2.gz IQUSYYXRDJKBHA-VIFPVBQESA-N 1 2 244.316 0.652 20 0 BCADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccco1 ZINC000882764889 591433566 /nfs/dbraw/zinc/43/35/66/591433566.db2.gz IQUSYYXRDJKBHA-VIFPVBQESA-N 1 2 244.316 0.652 20 0 BCADLO C[C@@H](O)c1ccc(N2CCCNC(=O)C2)[nH+]c1 ZINC000213302245 591460069 /nfs/dbraw/zinc/46/00/69/591460069.db2.gz OVIHVKFWWPUYFH-SECBINFHSA-N 1 2 235.287 0.461 20 0 BCADLO NC(CO)=[NH+]OCC[C@@H]1CCCCO1 ZINC000883012219 591512348 /nfs/dbraw/zinc/51/23/48/591512348.db2.gz XVZJEPVMWRJIBI-QMMMGPOBSA-N 1 2 202.254 0.436 20 0 BCADLO NC(CO)=[NH+]OCc1ccc(Cl)cn1 ZINC000883012221 591512769 /nfs/dbraw/zinc/51/27/69/591512769.db2.gz XXOUWPOXFKZBOL-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO NC(CO)=[NH+]OCCOCC(F)(F)F ZINC000883011627 591493010 /nfs/dbraw/zinc/49/30/10/591493010.db2.gz CKUOHQMFOFZFOQ-UHFFFAOYSA-N 1 2 216.159 0.056 20 0 BCADLO COC(=O)[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000883002771 591504709 /nfs/dbraw/zinc/50/47/09/591504709.db2.gz OMNRUZIMZKCHBB-LLVKDONJSA-N 1 2 222.244 0.196 20 0 BCADLO NC(CO)=[NH+]OCCOc1ccccc1 ZINC000883009556 591509409 /nfs/dbraw/zinc/50/94/09/591509409.db2.gz LHGXKXXHZZFSOP-UHFFFAOYSA-N 1 2 210.233 0.556 20 0 BCADLO Cc1cccc(OCCO[NH+]=C(N)CO)c1 ZINC000883009863 591509650 /nfs/dbraw/zinc/50/96/50/591509650.db2.gz WFKCTQILMZINMJ-UHFFFAOYSA-N 1 2 224.260 0.865 20 0 BCADLO COc1ccc(C)cc1CO[NH+]=C(N)CO ZINC000883010441 591510333 /nfs/dbraw/zinc/51/03/33/591510333.db2.gz POWOOHOISCSFTH-UHFFFAOYSA-N 1 2 224.260 0.994 20 0 BCADLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)CO ZINC000883009915 591510371 /nfs/dbraw/zinc/51/03/71/591510371.db2.gz YETJAYGOKSKSRD-RKDXNWHRSA-N 1 2 243.307 0.267 20 0 BCADLO CN(CCO[NH+]=C(N)CO)c1ccccc1 ZINC000883011777 591510405 /nfs/dbraw/zinc/51/04/05/591510405.db2.gz IWUMUSDWKBNWHI-UHFFFAOYSA-N 1 2 223.276 0.614 20 0 BCADLO CC(C)N(C(=O)[C@H](C)O[NH+]=C(N)CO)C(C)C ZINC000883010640 591510425 /nfs/dbraw/zinc/51/04/25/591510425.db2.gz WAAVJKONMDCKPY-VIFPVBQESA-N 1 2 245.323 0.511 20 0 BCADLO CC1CCC(NC(=O)CO[NH+]=C(N)CO)CC1 ZINC000883010506 591510436 /nfs/dbraw/zinc/51/04/36/591510436.db2.gz RSKSHVODIPMZJA-UHFFFAOYSA-N 1 2 243.307 0.172 20 0 BCADLO Cc1nc(C)c(CO[NH+]=C(N)CO)s1 ZINC000883011380 591510558 /nfs/dbraw/zinc/51/05/58/591510558.db2.gz SSGRIRHHYQDWRY-UHFFFAOYSA-N 1 2 215.278 0.751 20 0 BCADLO CCC(CC)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883010898 591510606 /nfs/dbraw/zinc/51/06/06/591510606.db2.gz DJOHLMZZIYRKGZ-ZETCQYMHSA-N 1 2 231.296 0.170 20 0 BCADLO Cc1cnc(CO[NH+]=C(N)CO)s1 ZINC000883011732 591511634 /nfs/dbraw/zinc/51/16/34/591511634.db2.gz HRUGAIHMFJRFAQ-UHFFFAOYSA-N 1 2 201.251 0.442 20 0 BCADLO CC(C)(C)c1cnc(CO[NH+]=C(N)CO)o1 ZINC000883011814 591511764 /nfs/dbraw/zinc/51/17/64/591511764.db2.gz KAQZIFYMLJMDBN-UHFFFAOYSA-N 1 2 227.264 0.963 20 0 BCADLO COc1nc(C)cc(C)c1CO[NH+]=C(N)CO ZINC000883012927 591512113 /nfs/dbraw/zinc/51/21/13/591512113.db2.gz YQFYKKKVNDUCTF-UHFFFAOYSA-N 1 2 239.275 0.698 20 0 BCADLO CC(C)[C@@H](O[NH+]=C(N)CO)C(=O)N1CCCC1 ZINC000883012708 591512364 /nfs/dbraw/zinc/51/23/64/591512364.db2.gz PJERZSYNYTYXJZ-SNVBAGLBSA-N 1 2 243.307 0.124 20 0 BCADLO Cc1nc(N2CCC[C@@H]3CCNC(=O)[C@@H]32)cc[nH+]1 ZINC000883022043 591517545 /nfs/dbraw/zinc/51/75/45/591517545.db2.gz MBFHGNVDRZLOAI-ZYHUDNBSSA-N 1 2 246.314 0.890 20 0 BCADLO CC[C@H](O[NH+]=C(N)c1ccccc1)C(N)=O ZINC000883048196 591528188 /nfs/dbraw/zinc/52/81/88/591528188.db2.gz JTCNZNNDQQQQTQ-VIFPVBQESA-N 1 2 221.260 0.797 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H](CF)C1 ZINC000883068379 591534181 /nfs/dbraw/zinc/53/41/81/591534181.db2.gz RUEUJILRUUFJIN-JTQLQIEISA-N 1 2 240.282 0.884 20 0 BCADLO CCC[NH+](CCC)Cn1nc2cnccn2c1=O ZINC000130943546 591536552 /nfs/dbraw/zinc/53/65/52/591536552.db2.gz QIMHJBHJNCQQLJ-UHFFFAOYSA-N 1 2 249.318 0.971 20 0 BCADLO Cc1cc(C[NH2+]CCS(=O)(=O)C2CC2)no1 ZINC000883146718 591551037 /nfs/dbraw/zinc/55/10/37/591551037.db2.gz WLLNSRSBLDKSCO-UHFFFAOYSA-N 1 2 244.316 0.650 20 0 BCADLO Cn1ncnc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000883178027 591564128 /nfs/dbraw/zinc/56/41/28/591564128.db2.gz NUCDJELWEHJMPR-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCOC1 ZINC000883187812 591566171 /nfs/dbraw/zinc/56/61/71/591566171.db2.gz WZMNWTDGPBGMJM-CMPLNLGQSA-N 1 2 239.319 0.941 20 0 BCADLO COC(=O)/C(C)=C\CN(C)Cc1[nH+]ccn1C ZINC000214550926 591609878 /nfs/dbraw/zinc/60/98/78/591609878.db2.gz IHWFANHICLLXHH-YHYXMXQVSA-N 1 2 237.303 0.971 20 0 BCADLO Cn1cnn(C[N@H+](C)C(C2CC2)C2CC2)c1=O ZINC000132016990 591683312 /nfs/dbraw/zinc/68/33/12/591683312.db2.gz RQHDNWAHTUOWTG-UHFFFAOYSA-N 1 2 236.319 0.660 20 0 BCADLO Cn1cnn(C[N@@H+](C)C(C2CC2)C2CC2)c1=O ZINC000132016990 591683314 /nfs/dbraw/zinc/68/33/14/591683314.db2.gz RQHDNWAHTUOWTG-UHFFFAOYSA-N 1 2 236.319 0.660 20 0 BCADLO Cn1cc(C=CC(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000214657733 591702290 /nfs/dbraw/zinc/70/22/90/591702290.db2.gz DQZIHRQYJGYGTN-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO Cn1cc(C=CC(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000214657733 591702292 /nfs/dbraw/zinc/70/22/92/591702292.db2.gz DQZIHRQYJGYGTN-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](CF)C1 ZINC000883652304 591709736 /nfs/dbraw/zinc/70/97/36/591709736.db2.gz JVMXWKIWKKEUTI-SECBINFHSA-N 1 2 240.282 0.921 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1ccc[n+]([O-])c1 ZINC000132880467 591744054 /nfs/dbraw/zinc/74/40/54/591744054.db2.gz WFPLGGDGXQPPCF-UHFFFAOYSA-N 1 2 245.238 0.976 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000889334226 591773467 /nfs/dbraw/zinc/77/34/67/591773467.db2.gz LVUMXBUOCBVZFM-GHMZBOCLSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CC[C@H]1N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000889334226 591773470 /nfs/dbraw/zinc/77/34/70/591773470.db2.gz LVUMXBUOCBVZFM-GHMZBOCLSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000889334228 591773578 /nfs/dbraw/zinc/77/35/78/591773578.db2.gz LVUMXBUOCBVZFM-QWRGUYRKSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000889334228 591773581 /nfs/dbraw/zinc/77/35/81/591773581.db2.gz LVUMXBUOCBVZFM-QWRGUYRKSA-N 1 2 237.303 0.978 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000883963055 591783218 /nfs/dbraw/zinc/78/32/18/591783218.db2.gz GFLKRSXBFMSPFU-UHFFFAOYSA-N 1 2 249.274 0.390 20 0 BCADLO CCn1cc(C[N@@H+]2CCCO[C@H](C)C2)nn1 ZINC000883999571 591789576 /nfs/dbraw/zinc/78/95/76/591789576.db2.gz KCCUVZLSVUUWQR-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000883999571 591789577 /nfs/dbraw/zinc/78/95/77/591789577.db2.gz KCCUVZLSVUUWQR-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCO[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800136223 591827533 /nfs/dbraw/zinc/82/75/33/591827533.db2.gz MEMJORBUQVSJII-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCO[C@@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800136223 591827535 /nfs/dbraw/zinc/82/75/35/591827535.db2.gz MEMJORBUQVSJII-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134041825 591877671 /nfs/dbraw/zinc/87/76/71/591877671.db2.gz KHEJYRATLCGHJY-UHFFFAOYSA-N 1 2 242.319 0.352 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134041825 591877673 /nfs/dbraw/zinc/87/76/73/591877673.db2.gz KHEJYRATLCGHJY-UHFFFAOYSA-N 1 2 242.319 0.352 20 0 BCADLO CCCNc1cc(NC[C@@H](O)COC)nc[nH+]1 ZINC000134061343 591880514 /nfs/dbraw/zinc/88/05/14/591880514.db2.gz IXPFNQTVDYNOCJ-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CCCNc1cc(NC[C@@H](O)COC)[nH+]cn1 ZINC000134061343 591880517 /nfs/dbraw/zinc/88/05/17/591880517.db2.gz IXPFNQTVDYNOCJ-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134086402 591887218 /nfs/dbraw/zinc/88/72/18/591887218.db2.gz RAVVEFRYCFAYLA-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134086402 591887220 /nfs/dbraw/zinc/88/72/20/591887220.db2.gz RAVVEFRYCFAYLA-UHFFFAOYSA-N 1 2 242.319 0.304 20 0 BCADLO CCc1nc(NC[C@H](O)COC)cc[nH+]1 ZINC000884498817 591958331 /nfs/dbraw/zinc/95/83/31/591958331.db2.gz MZBOZJSFGKWKEC-QMMMGPOBSA-N 1 2 211.265 0.458 20 0 BCADLO CCc1nc(NCc2cnnn2C)cc[nH+]1 ZINC000884509856 591961403 /nfs/dbraw/zinc/96/14/03/591961403.db2.gz RHPNJUMXHCCHJK-UHFFFAOYSA-N 1 2 218.264 0.780 20 0 BCADLO CCc1nc(N[C@H](CC)C(N)=O)cc[nH+]1 ZINC000884512920 591961702 /nfs/dbraw/zinc/96/17/02/591961702.db2.gz ULDPDURRYACGHQ-SSDOTTSWSA-N 1 2 208.265 0.715 20 0 BCADLO CCc1nc(N[C@H](CC)C(=O)NC)cc[nH+]1 ZINC000884525269 591965755 /nfs/dbraw/zinc/96/57/55/591965755.db2.gz QOOJXGXTOWEWLC-MRVPVSSYSA-N 1 2 222.292 0.976 20 0 BCADLO CCc1nc(N2C[C@@H]3C[C@H]2C[S@]3=O)cc[nH+]1 ZINC000884546476 591974970 /nfs/dbraw/zinc/97/49/70/591974970.db2.gz LLVRCOPYVCFKQD-OMQMVUIESA-N 1 2 237.328 0.749 20 0 BCADLO CCc1nc(N2CCCN(C=O)CC2)cc[nH+]1 ZINC000884572515 591984523 /nfs/dbraw/zinc/98/45/23/591984523.db2.gz PUSGEYUUQIUTSR-UHFFFAOYSA-N 1 2 234.303 0.708 20 0 BCADLO Cc1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)nc[nH+]1 ZINC000884624832 591996315 /nfs/dbraw/zinc/99/63/15/591996315.db2.gz SAFJBVCCULJPAM-RTCCRHLQSA-N 1 2 237.303 0.861 20 0 BCADLO Cc1cc(NCCN2CCNC2=O)nc[nH+]1 ZINC000884691601 592011998 /nfs/dbraw/zinc/01/19/98/592011998.db2.gz MFUKSLJNWSSPFW-UHFFFAOYSA-N 1 2 221.264 0.222 20 0 BCADLO Cc1nc(N2CC[C@H]([C@H]3CCCO3)C2)nc(N)[nH+]1 ZINC000884742866 592016342 /nfs/dbraw/zinc/01/63/42/592016342.db2.gz VFABRLUKSNHJEV-VHSXEESVSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H]([C@H]3CCCO3)C2)[nH+]1 ZINC000884742866 592016344 /nfs/dbraw/zinc/01/63/44/592016344.db2.gz VFABRLUKSNHJEV-VHSXEESVSA-N 1 2 249.318 0.768 20 0 BCADLO Nc1cc(COC(=O)C[C@H]2CCNC2=O)cc[nH+]1 ZINC000884917538 592029116 /nfs/dbraw/zinc/02/91/16/592029116.db2.gz HQNBVODSCQADHF-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC(=O)[C@H]1C ZINC000885051781 592039787 /nfs/dbraw/zinc/03/97/87/592039787.db2.gz FJOMBHFBHVAUAW-SECBINFHSA-N 1 2 235.287 0.841 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885051644 592039834 /nfs/dbraw/zinc/03/98/34/592039834.db2.gz BSZFMHVYQMQEFU-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885051644 592039837 /nfs/dbraw/zinc/03/98/37/592039837.db2.gz BSZFMHVYQMQEFU-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1nccn1C ZINC000135729678 592042100 /nfs/dbraw/zinc/04/21/00/592042100.db2.gz WBKWTPIFLOZXGS-SNVBAGLBSA-N 1 2 238.335 0.939 20 0 BCADLO COCCOC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000885123757 592053865 /nfs/dbraw/zinc/05/38/65/592053865.db2.gz RLGSULCHKYYQMK-SNVBAGLBSA-N 1 2 246.307 0.080 20 0 BCADLO COCCOC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000885123757 592053863 /nfs/dbraw/zinc/05/38/63/592053863.db2.gz RLGSULCHKYYQMK-SNVBAGLBSA-N 1 2 246.307 0.080 20 0 BCADLO Cc1ncc(CC(=O)OCCn2cc[nH+]c2)o1 ZINC000885341754 592070628 /nfs/dbraw/zinc/07/06/28/592070628.db2.gz LKPVMEUKTZEGDB-UHFFFAOYSA-N 1 2 235.243 0.965 20 0 BCADLO Cc1n[nH]c(C[NH2+]Cc2nnnn2C2CC2)c1C ZINC000886003634 592127248 /nfs/dbraw/zinc/12/72/48/592127248.db2.gz IAEJUEHVFKKVNZ-UHFFFAOYSA-N 1 2 247.306 0.638 20 0 BCADLO CN1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)CC1=O ZINC000886018688 592132000 /nfs/dbraw/zinc/13/20/00/592132000.db2.gz GKCXARZSFADJCP-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)CC1=O ZINC000886018688 592132001 /nfs/dbraw/zinc/13/20/01/592132001.db2.gz GKCXARZSFADJCP-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000886087506 592145457 /nfs/dbraw/zinc/14/54/57/592145457.db2.gz VCARYCQVIHESHW-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000886087506 592145458 /nfs/dbraw/zinc/14/54/58/592145458.db2.gz VCARYCQVIHESHW-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000886087506 592145459 /nfs/dbraw/zinc/14/54/59/592145459.db2.gz VCARYCQVIHESHW-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000886087506 592145460 /nfs/dbraw/zinc/14/54/60/592145460.db2.gz VCARYCQVIHESHW-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1nc(C(=O)NCCCn2cc[nH+]c2)no1 ZINC000136679755 592149324 /nfs/dbraw/zinc/14/93/24/592149324.db2.gz GPJKPJUBTRQWAP-UHFFFAOYSA-N 1 2 235.247 0.395 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(F)ncn1 ZINC000136888127 592152791 /nfs/dbraw/zinc/15/27/91/592152791.db2.gz BPROXGTWVOOOEG-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886153989 592164616 /nfs/dbraw/zinc/16/46/16/592164616.db2.gz WRNVDBFYJYDALZ-WDEREUQCSA-N 1 2 244.335 0.991 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2nn[nH]c2C1)C(F)F ZINC000886164439 592166484 /nfs/dbraw/zinc/16/64/84/592166484.db2.gz LCNSYSYVGUVANT-VIFPVBQESA-N 1 2 232.234 0.179 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2nn[nH]c2C1)C(F)F ZINC000886164439 592166486 /nfs/dbraw/zinc/16/64/86/592166486.db2.gz LCNSYSYVGUVANT-VIFPVBQESA-N 1 2 232.234 0.179 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229116 592181071 /nfs/dbraw/zinc/18/10/71/592181071.db2.gz LGANOWLLAZDPOJ-VXGBXAGGSA-N 1 2 239.319 0.738 20 0 BCADLO C[C@H]1C[N@H+](CCO)CCN1CCCCCCO ZINC000886238908 592183006 /nfs/dbraw/zinc/18/30/06/592183006.db2.gz LPEIDCCOMRXBTH-ZDUSSCGKSA-N 1 2 244.379 0.538 20 0 BCADLO C[C@H]1C[N@@H+](CCO)CCN1CCCCCCO ZINC000886238908 592183007 /nfs/dbraw/zinc/18/30/07/592183007.db2.gz LPEIDCCOMRXBTH-ZDUSSCGKSA-N 1 2 244.379 0.538 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@](C)(O)C(F)F ZINC000886273791 592193697 /nfs/dbraw/zinc/19/36/97/592193697.db2.gz GRIYOAOZSVGGDE-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@](C)(O)C(F)F ZINC000886273791 592193698 /nfs/dbraw/zinc/19/36/98/592193698.db2.gz GRIYOAOZSVGGDE-SECBINFHSA-N 1 2 219.235 0.858 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CCOC2)n1 ZINC000886327519 592209777 /nfs/dbraw/zinc/20/97/77/592209777.db2.gz LPVFVZHNKBPCBC-SSDOTTSWSA-N 1 2 228.321 0.546 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CCOC2)[nH]1 ZINC000886327519 592209780 /nfs/dbraw/zinc/20/97/80/592209780.db2.gz LPVFVZHNKBPCBC-SSDOTTSWSA-N 1 2 228.321 0.546 20 0 BCADLO Cn1c[nH+]c(CN[C@@H](CCO)C(F)(F)F)c1 ZINC000886370983 592220696 /nfs/dbraw/zinc/22/06/96/592220696.db2.gz BPEHHSFGFVDONO-QMMMGPOBSA-N 1 2 237.225 0.823 20 0 BCADLO Nc1ncccc1C[N@@H+]1CCCn2nncc2C1 ZINC000886465003 592228840 /nfs/dbraw/zinc/22/88/40/592228840.db2.gz OHNRROQMHCRZKE-UHFFFAOYSA-N 1 2 244.302 0.661 20 0 BCADLO Nc1ncccc1C[N@H+]1CCCn2nncc2C1 ZINC000886465003 592228841 /nfs/dbraw/zinc/22/88/41/592228841.db2.gz OHNRROQMHCRZKE-UHFFFAOYSA-N 1 2 244.302 0.661 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@H]1CC1CC1 ZINC000886474412 592230505 /nfs/dbraw/zinc/23/05/05/592230505.db2.gz PVZJTDXJZPNWDD-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO C[N@H+](Cc1cc(C2CC2)no1)[C@@H]1COC[C@H]1O ZINC000886517588 592242474 /nfs/dbraw/zinc/24/24/74/592242474.db2.gz JGHVVEAWYQKTQP-VXGBXAGGSA-N 1 2 238.287 0.744 20 0 BCADLO C[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1COC[C@H]1O ZINC000886517588 592242477 /nfs/dbraw/zinc/24/24/77/592242477.db2.gz JGHVVEAWYQKTQP-VXGBXAGGSA-N 1 2 238.287 0.744 20 0 BCADLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ncco1 ZINC000886539086 592252093 /nfs/dbraw/zinc/25/20/93/592252093.db2.gz SVFVQRPSZUQNBG-QMMMGPOBSA-N 1 2 247.320 0.217 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)C1CC(=O)C1)C2 ZINC000886616528 592275631 /nfs/dbraw/zinc/27/56/31/592275631.db2.gz IZDGZOIBHZNHBO-UHFFFAOYSA-N 1 2 247.298 0.767 20 0 BCADLO CCOCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886629018 592281535 /nfs/dbraw/zinc/28/15/35/592281535.db2.gz ONCABABAZLUHEQ-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677267 592300817 /nfs/dbraw/zinc/30/08/17/592300817.db2.gz USWRMIKEFKSCOT-JTQLQIEISA-N 1 2 235.287 0.829 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677267 592300823 /nfs/dbraw/zinc/30/08/23/592300823.db2.gz USWRMIKEFKSCOT-JTQLQIEISA-N 1 2 235.287 0.829 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC000886819118 592343164 /nfs/dbraw/zinc/34/31/64/592343164.db2.gz OICDUOQIPWBOPO-UWVGGRQHSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC000886819118 592343171 /nfs/dbraw/zinc/34/31/71/592343171.db2.gz OICDUOQIPWBOPO-UWVGGRQHSA-N 1 2 237.307 0.211 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1C[C@H](CO)C1 ZINC000886884373 592382313 /nfs/dbraw/zinc/38/23/13/592382313.db2.gz FQWTZPQFHUVXDS-MGCOHNPYSA-N 1 2 235.287 0.381 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](C)OC ZINC000886946365 592400100 /nfs/dbraw/zinc/40/01/00/592400100.db2.gz JUDXTWDCCTZSQE-VWYCJHECSA-N 1 2 245.319 0.722 20 0 BCADLO CC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886953085 592400208 /nfs/dbraw/zinc/40/02/08/592400208.db2.gz UAXVMWXLOZVLEI-DTWKUNHWSA-N 1 2 201.266 0.707 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886950957 592401497 /nfs/dbraw/zinc/40/14/97/592401497.db2.gz UNLZLBXZGVEOKB-GMTAPVOTSA-N 1 2 245.319 0.458 20 0 BCADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCOC ZINC000886958737 592402035 /nfs/dbraw/zinc/40/20/35/592402035.db2.gz DDWYENGYJYOIMF-MNOVXSKESA-N 1 2 245.319 0.723 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nocc1C)C(N)=O ZINC000887054119 592431404 /nfs/dbraw/zinc/43/14/04/592431404.db2.gz PPWRETHBTCPZDJ-XVKPBYJWSA-N 1 2 225.292 0.973 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](O)C(C)C ZINC000887077837 592435895 /nfs/dbraw/zinc/43/58/95/592435895.db2.gz WCLUQBOBWGVNEM-UWVGGRQHSA-N 1 2 247.360 0.594 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@H](O)C(C)C ZINC000887077837 592435896 /nfs/dbraw/zinc/43/58/96/592435896.db2.gz WCLUQBOBWGVNEM-UWVGGRQHSA-N 1 2 247.360 0.594 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CCCF ZINC000887141312 592453870 /nfs/dbraw/zinc/45/38/70/592453870.db2.gz NUUNLCDPNPIODN-ZETCQYMHSA-N 1 2 201.249 0.563 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCCF ZINC000887141312 592453875 /nfs/dbraw/zinc/45/38/75/592453875.db2.gz NUUNLCDPNPIODN-ZETCQYMHSA-N 1 2 201.249 0.563 20 0 BCADLO C[N@H+](CCCF)Cc1cc(=O)n2[nH]ccc2n1 ZINC000887141317 592456870 /nfs/dbraw/zinc/45/68/70/592456870.db2.gz NXPRRZVFOOBNSP-UHFFFAOYSA-N 1 2 238.266 0.814 20 0 BCADLO C[N@@H+](CCCF)Cc1cc(=O)n2[nH]ccc2n1 ZINC000887141317 592456873 /nfs/dbraw/zinc/45/68/73/592456873.db2.gz NXPRRZVFOOBNSP-UHFFFAOYSA-N 1 2 238.266 0.814 20 0 BCADLO CCc1cnc(NC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000887238433 592470472 /nfs/dbraw/zinc/47/04/72/592470472.db2.gz DTFLISUGYDNVLL-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO CCc1cnc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000887238433 592470475 /nfs/dbraw/zinc/47/04/75/592470475.db2.gz DTFLISUGYDNVLL-VIFPVBQESA-N 1 2 239.275 0.506 20 0 BCADLO CC(C)C[C@H]1C(=O)N[C@@H](c2c[nH+]cn2C)N1C ZINC000887332501 592481595 /nfs/dbraw/zinc/48/15/95/592481595.db2.gz GHDJGCFQYOBFAA-GXSJLCMTSA-N 1 2 236.319 0.895 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000300606058 592516227 /nfs/dbraw/zinc/51/62/27/592516227.db2.gz MXMAWVGGVQCVAH-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO CCn1cc(CN(C)Cc2[nH]cc[nH+]2)nn1 ZINC000887554508 592525559 /nfs/dbraw/zinc/52/55/59/592525559.db2.gz FWUBNNRTEVJXIP-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000887718192 592545311 /nfs/dbraw/zinc/54/53/11/592545311.db2.gz UQFOMMRRHBWOMG-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO CCc1cc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000887717891 592545318 /nfs/dbraw/zinc/54/53/18/592545318.db2.gz JJNMBBABUOREBQ-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@]12C[C@H]1COC2 ZINC000887933693 592560608 /nfs/dbraw/zinc/56/06/08/592560608.db2.gz BSXIOHMDLNTTGC-CABZTGNLSA-N 1 2 233.271 0.722 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000888072674 592574810 /nfs/dbraw/zinc/57/48/10/592574810.db2.gz PXJIXVDZMONLOZ-VIFPVBQESA-N 1 2 249.270 0.267 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N1CC[C@@H]1CO ZINC000889162219 592586679 /nfs/dbraw/zinc/58/66/79/592586679.db2.gz OCYZQLRXRHYENV-SECBINFHSA-N 1 2 235.287 0.639 20 0 BCADLO Cc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000889702691 592649061 /nfs/dbraw/zinc/64/90/61/592649061.db2.gz HPRNCGDLXGQBQM-SNVBAGLBSA-N 1 2 249.318 0.356 20 0 BCADLO Cc1nc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000889702691 592649062 /nfs/dbraw/zinc/64/90/62/592649062.db2.gz HPRNCGDLXGQBQM-SNVBAGLBSA-N 1 2 249.318 0.356 20 0 BCADLO Cc1nc(CNC(=O)[C@H]2CCCC[N@H+]2C)n[nH]1 ZINC000889705891 592649670 /nfs/dbraw/zinc/64/96/70/592649670.db2.gz NEKUTHOPYCKFNS-SECBINFHSA-N 1 2 237.307 0.214 20 0 BCADLO Cc1nc(CNC(=O)[C@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000889705891 592649671 /nfs/dbraw/zinc/64/96/71/592649671.db2.gz NEKUTHOPYCKFNS-SECBINFHSA-N 1 2 237.307 0.214 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890110063 592675060 /nfs/dbraw/zinc/67/50/60/592675060.db2.gz JQMBBXLFBUMRQJ-VIFPVBQESA-N 1 2 225.292 0.709 20 0 BCADLO COC/C=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890100191 592679179 /nfs/dbraw/zinc/67/91/79/592679179.db2.gz QSRIZRNZLVLJBU-ARJAWSKDSA-N 1 2 209.249 0.239 20 0 BCADLO COc1cc(C(=O)NCc2cn(C)c[nH+]2)ncn1 ZINC000890100219 592679298 /nfs/dbraw/zinc/67/92/98/592679298.db2.gz RSMDRDKTILOSEE-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC(F)(F)F)c1 ZINC000890100574 592679432 /nfs/dbraw/zinc/67/94/32/592679432.db2.gz YOVTZXPKGAGIEF-UHFFFAOYSA-N 1 2 237.181 0.573 20 0 BCADLO CO[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000890103720 592679772 /nfs/dbraw/zinc/67/97/72/592679772.db2.gz PXRLMCMNRMPJDR-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO COC1CC(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890102933 592680048 /nfs/dbraw/zinc/68/00/48/592680048.db2.gz CUYJJJJYBPFCCO-UHFFFAOYSA-N 1 2 223.276 0.461 20 0 BCADLO CCC(C)(C)[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890102835 592680291 /nfs/dbraw/zinc/68/02/91/592680291.db2.gz AVQVTJHWFLMECJ-JTQLQIEISA-N 1 2 239.319 0.833 20 0 BCADLO CNc1cnc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890104019 592680610 /nfs/dbraw/zinc/68/06/10/592680610.db2.gz GZJPDVPXVQGZQR-UHFFFAOYSA-N 1 2 246.274 0.182 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890100587 592680677 /nfs/dbraw/zinc/68/06/77/592680677.db2.gz YYFKVHCQOOWVBN-PSASIEDQSA-N 1 2 223.276 0.461 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104647 592681154 /nfs/dbraw/zinc/68/11/54/592681154.db2.gz ODZCMRCJSAITRF-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890106521 592681724 /nfs/dbraw/zinc/68/17/24/592681724.db2.gz BMGMDNXAYDGADJ-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC23CC3)c1 ZINC000890105215 592682010 /nfs/dbraw/zinc/68/20/10/592682010.db2.gz ZGWJFNMHTNANIR-SECBINFHSA-N 1 2 205.261 0.836 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107575 592682763 /nfs/dbraw/zinc/68/27/63/592682763.db2.gz MBACHHCNGKABCI-LLVKDONJSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1ncoc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109712 592684531 /nfs/dbraw/zinc/68/45/31/592684531.db2.gz FOCFXBCIIYXDKY-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COCCC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890109804 592684628 /nfs/dbraw/zinc/68/46/28/592684628.db2.gz GSRCKNBACHVPIV-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)[nH]n1 ZINC000890114574 592685177 /nfs/dbraw/zinc/68/51/77/592685177.db2.gz QHYQROWHZQTYPM-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCn2cccn2)c1 ZINC000890116930 592685849 /nfs/dbraw/zinc/68/58/49/592685849.db2.gz IGMFIBALYJCXFX-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnsn2)c1 ZINC000890117833 592685994 /nfs/dbraw/zinc/68/59/94/592685994.db2.gz ZYJGAGUWITVHSG-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000890460502 592699847 /nfs/dbraw/zinc/69/98/47/592699847.db2.gz NWGXIJCGTVPNKQ-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C(C)(C)O ZINC000890460502 592699849 /nfs/dbraw/zinc/69/98/49/592699849.db2.gz NWGXIJCGTVPNKQ-ZETCQYMHSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229933381 597241541 /nfs/dbraw/zinc/24/15/41/597241541.db2.gz SZJYDMJYCSXKME-RKDXNWHRSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229933381 597241543 /nfs/dbraw/zinc/24/15/43/597241543.db2.gz SZJYDMJYCSXKME-RKDXNWHRSA-N 1 2 212.293 0.676 20 0 BCADLO CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000049328758 598189391 /nfs/dbraw/zinc/18/93/91/598189391.db2.gz AXABYNZRYHDPTO-SNVBAGLBSA-N 1 2 225.292 0.972 20 0 BCADLO CC[N@H+](C)C[C@H]1CC[NH+](CCNC(=O)[O-])C1 ZINC000826988921 604370299 /nfs/dbraw/zinc/37/02/99/604370299.db2.gz UBGCCRCDJSUBSY-SNVBAGLBSA-N 1 2 229.324 0.528 20 0 BCADLO CC[N@@H+](C)C[C@H]1CC[NH+](CCNC(=O)[O-])C1 ZINC000826988921 604370301 /nfs/dbraw/zinc/37/03/01/604370301.db2.gz UBGCCRCDJSUBSY-SNVBAGLBSA-N 1 2 229.324 0.528 20 0 BCADLO CC[NH+](C)C[C@H]1CC[N@H+](CCNC(=O)[O-])C1 ZINC000826988921 604370304 /nfs/dbraw/zinc/37/03/04/604370304.db2.gz UBGCCRCDJSUBSY-SNVBAGLBSA-N 1 2 229.324 0.528 20 0 BCADLO CC[NH+](C)C[C@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000826988921 604370308 /nfs/dbraw/zinc/37/03/08/604370308.db2.gz UBGCCRCDJSUBSY-SNVBAGLBSA-N 1 2 229.324 0.528 20 0 BCADLO CN(C)c1cc(N(CCO)C2CCC2)nc[nH+]1 ZINC000893389639 634384643 /nfs/dbraw/zinc/38/46/43/634384643.db2.gz WYHQLSXOZCIVNP-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N(CCO)C2CCC2)[nH+]cn1 ZINC000893389639 634384652 /nfs/dbraw/zinc/38/46/52/634384652.db2.gz WYHQLSXOZCIVNP-UHFFFAOYSA-N 1 2 236.319 0.894 20 0 BCADLO CNc1cc(N2C[C@H](C)O[C@H](CO)C2)nc[nH+]1 ZINC000299967596 634404041 /nfs/dbraw/zinc/40/40/41/634404041.db2.gz QFUBPOYYFRUFSV-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](C)O[C@H](CO)C2)[nH+]cn1 ZINC000299967596 634404046 /nfs/dbraw/zinc/40/40/46/634404046.db2.gz QFUBPOYYFRUFSV-IUCAKERBSA-N 1 2 238.291 0.104 20 0 BCADLO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ncn(C)n1 ZINC000312974466 634428294 /nfs/dbraw/zinc/42/82/94/634428294.db2.gz LFIOXRPJRVBBFP-RKDXNWHRSA-N 1 2 224.308 0.891 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)no1 ZINC000335556931 634490667 /nfs/dbraw/zinc/49/06/67/634490667.db2.gz FXRYFIJZVUKLOY-VIFPVBQESA-N 1 2 246.270 0.803 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCOC1 ZINC000909361688 634503817 /nfs/dbraw/zinc/50/38/17/634503817.db2.gz CTEZFUBGPJDCQJ-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO Cn1cc(C[NH2+]Cc2cn3ccnc3s2)nn1 ZINC000893506111 634543632 /nfs/dbraw/zinc/54/36/32/634543632.db2.gz SQDDNGGRWOSJLP-UHFFFAOYSA-N 1 2 248.315 0.814 20 0 BCADLO CCS(=O)(CC)=NC(=O)Cn1cc[nH+]c1 ZINC000925876102 635600486 /nfs/dbraw/zinc/60/04/86/635600486.db2.gz RCFFSPXGEKFHHX-UHFFFAOYSA-N 1 2 229.305 0.918 20 0 BCADLO OC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891436519 631249193 /nfs/dbraw/zinc/24/91/93/631249193.db2.gz OTVCTGAPPDOAJT-JTQLQIEISA-N 1 2 232.287 0.938 20 0 BCADLO Nc1ccc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000308392546 631251769 /nfs/dbraw/zinc/25/17/69/631251769.db2.gz PKSSBYHLMUPJCG-JZYVYDRUSA-N 1 2 233.271 0.172 20 0 BCADLO COC(=O)NCCNc1[nH+]cccc1OC ZINC000308350529 631296564 /nfs/dbraw/zinc/29/65/64/631296564.db2.gz XZEGJZKYNSECHU-UHFFFAOYSA-N 1 2 225.248 0.858 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308369949 631307157 /nfs/dbraw/zinc/30/71/57/631307157.db2.gz ARXGANGOZFPEQP-VXNVDRBHSA-N 1 2 205.261 0.936 20 0 BCADLO COc1cc(NCCc2cn(C)c[nH+]2)ncn1 ZINC000313454478 631307550 /nfs/dbraw/zinc/30/75/50/631307550.db2.gz AVSOKACEPDWUCK-UHFFFAOYSA-N 1 2 233.275 0.873 20 0 BCADLO Nc1ccc(CNC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000308392517 631309593 /nfs/dbraw/zinc/30/95/93/631309593.db2.gz PEKNUOKYCIMFJD-SECBINFHSA-N 1 2 221.260 0.317 20 0 BCADLO COc1c(C)c[nH+]c(CNS(C)(=O)=O)c1C ZINC000051162714 631336426 /nfs/dbraw/zinc/33/64/26/631336426.db2.gz PPJBRDCCMGAKBH-UHFFFAOYSA-N 1 2 244.316 0.756 20 0 BCADLO O=C(NCC[NH+]1CCCC1)C(F)(F)F ZINC000078770969 631349358 /nfs/dbraw/zinc/34/93/58/631349358.db2.gz DWNGVPXXKQBDLY-UHFFFAOYSA-N 1 2 210.199 0.761 20 0 BCADLO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000290484463 631365012 /nfs/dbraw/zinc/36/50/12/631365012.db2.gz XMPJRBXFXLCUNB-SECBINFHSA-N 1 2 245.348 0.884 20 0 BCADLO COC(C[N@@H+]1CCNC(=O)[C@H]1C(C)C)OC ZINC000161030323 631376380 /nfs/dbraw/zinc/37/63/80/631376380.db2.gz SVOGDITZKWMTAA-SNVBAGLBSA-N 1 2 230.308 0.062 20 0 BCADLO COC(C[N@H+]1CCNC(=O)[C@H]1C(C)C)OC ZINC000161030323 631376384 /nfs/dbraw/zinc/37/63/84/631376384.db2.gz SVOGDITZKWMTAA-SNVBAGLBSA-N 1 2 230.308 0.062 20 0 BCADLO COCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528817 631393624 /nfs/dbraw/zinc/39/36/24/631393624.db2.gz YCUWYUIZHPTVOY-NSHDSACASA-N 1 2 225.292 0.440 20 0 BCADLO COCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528817 631393629 /nfs/dbraw/zinc/39/36/29/631393629.db2.gz YCUWYUIZHPTVOY-NSHDSACASA-N 1 2 225.292 0.440 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000308505514 631413205 /nfs/dbraw/zinc/41/32/05/631413205.db2.gz ILTKXBYKTPQGAL-SECBINFHSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000308598266 631436289 /nfs/dbraw/zinc/43/62/89/631436289.db2.gz NLSZQQBQCHNSKT-VXNVDRBHSA-N 1 2 201.266 0.299 20 0 BCADLO C#CC[NH+]1CCN(C(=O)C=C2CCC2)CC1 ZINC000087356606 631479056 /nfs/dbraw/zinc/47/90/56/631479056.db2.gz JISWJVVIYNOUPR-UHFFFAOYSA-N 1 2 218.300 0.874 20 0 BCADLO NS(=O)(=O)CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934002614 631582311 /nfs/dbraw/zinc/58/23/11/631582311.db2.gz ADPWVCGXPVTPBS-UHFFFAOYSA-N 1 2 244.316 0.533 20 0 BCADLO NS(=O)(=O)CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934002614 631582317 /nfs/dbraw/zinc/58/23/17/631582317.db2.gz ADPWVCGXPVTPBS-UHFFFAOYSA-N 1 2 244.316 0.533 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@H]2CO)sn1 ZINC000934013477 631594936 /nfs/dbraw/zinc/59/49/36/631594936.db2.gz WHDNUGLNNLOLRT-ZETCQYMHSA-N 1 2 214.290 0.718 20 0 BCADLO COc1cc(C[N@H+]2CC[C@H]2CO)sn1 ZINC000934013477 631594948 /nfs/dbraw/zinc/59/49/48/631594948.db2.gz WHDNUGLNNLOLRT-ZETCQYMHSA-N 1 2 214.290 0.718 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000934025970 631605189 /nfs/dbraw/zinc/60/51/89/631605189.db2.gz ILFMYMHIYDFDJF-LLVKDONJSA-N 1 2 217.272 0.901 20 0 BCADLO OC[C@H]1CC[N@H+]1Cc1cn2ccccc2n1 ZINC000934025970 631605190 /nfs/dbraw/zinc/60/51/90/631605190.db2.gz ILFMYMHIYDFDJF-LLVKDONJSA-N 1 2 217.272 0.901 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@H]1CO ZINC000934019568 631617484 /nfs/dbraw/zinc/61/74/84/631617484.db2.gz QGNUMBTVZLPWLG-YUMQZZPRSA-N 1 2 208.265 0.186 20 0 BCADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@H]1CO ZINC000934019568 631617490 /nfs/dbraw/zinc/61/74/90/631617490.db2.gz QGNUMBTVZLPWLG-YUMQZZPRSA-N 1 2 208.265 0.186 20 0 BCADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H]2CO)o1 ZINC000934028998 631629564 /nfs/dbraw/zinc/62/95/64/631629564.db2.gz FXYYHPAVWCSFJR-QMMMGPOBSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1ccc(C[N@H+]2CC[C@H]2CO)o1 ZINC000934028998 631629569 /nfs/dbraw/zinc/62/95/69/631629569.db2.gz FXYYHPAVWCSFJR-QMMMGPOBSA-N 1 2 225.244 0.633 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000894119833 635672230 /nfs/dbraw/zinc/67/22/30/635672230.db2.gz KZOSMVXROGHSDX-DTWKUNHWSA-N 1 2 249.318 0.609 20 0 BCADLO CN(C)c1cc(N[C@@H]2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000894119833 635672232 /nfs/dbraw/zinc/67/22/32/635672232.db2.gz KZOSMVXROGHSDX-DTWKUNHWSA-N 1 2 249.318 0.609 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ncccn1 ZINC000934034760 631635351 /nfs/dbraw/zinc/63/53/51/631635351.db2.gz GQGRMBFELFCCOF-GMTAPVOTSA-N 1 2 237.303 0.931 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000234565600 631636444 /nfs/dbraw/zinc/63/64/44/631636444.db2.gz XVRRBUXQSSZMGM-NXEZZACHSA-N 1 2 213.277 0.299 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1cscn1)C[C@H](C)O ZINC000248976286 635684025 /nfs/dbraw/zinc/68/40/25/635684025.db2.gz UOHHSIIWLZNRSF-BDAKNGLRSA-N 1 2 230.333 0.707 20 0 BCADLO C[C@H](CO)[N@H+](Cc1cscn1)C[C@H](C)O ZINC000248976286 635684034 /nfs/dbraw/zinc/68/40/34/635684034.db2.gz UOHHSIIWLZNRSF-BDAKNGLRSA-N 1 2 230.333 0.707 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nonc1C ZINC000934112993 631687317 /nfs/dbraw/zinc/68/73/17/631687317.db2.gz XXSSQRHFCZFKGN-ZJUUUORDSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nonc1C ZINC000934112993 631687324 /nfs/dbraw/zinc/68/73/24/631687324.db2.gz XXSSQRHFCZFKGN-ZJUUUORDSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nonc1C ZINC000934112991 631687834 /nfs/dbraw/zinc/68/78/34/631687834.db2.gz XXSSQRHFCZFKGN-UWVGGRQHSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nonc1C ZINC000934112991 631687836 /nfs/dbraw/zinc/68/78/36/631687836.db2.gz XXSSQRHFCZFKGN-UWVGGRQHSA-N 1 2 211.265 0.987 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000934125343 631703739 /nfs/dbraw/zinc/70/37/39/631703739.db2.gz KHNCEVNTKJJDNP-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934125343 631703746 /nfs/dbraw/zinc/70/37/46/631703746.db2.gz KHNCEVNTKJJDNP-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000934132664 631707665 /nfs/dbraw/zinc/70/76/65/631707665.db2.gz VFYQMRRJJXOGNK-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934132664 631707673 /nfs/dbraw/zinc/70/76/73/631707673.db2.gz VFYQMRRJJXOGNK-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO CCN(C(=O)[C@@H]1C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000949611715 631741384 /nfs/dbraw/zinc/74/13/84/631741384.db2.gz CBKFJAOZLYPHJW-GXSJLCMTSA-N 1 2 226.320 0.167 20 0 BCADLO O[C@@H](C[NH2+]Cc1csnn1)c1ccco1 ZINC000308937237 631744291 /nfs/dbraw/zinc/74/42/91/631744291.db2.gz OOJZDYVLCWDDFH-QMMMGPOBSA-N 1 2 225.273 0.954 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H](CO)C1CC1)C1CC1 ZINC000308964157 631771822 /nfs/dbraw/zinc/77/18/22/631771822.db2.gz UDBGZOYUYTVWTH-ZJUUUORDSA-N 1 2 213.277 0.299 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1O ZINC000309013190 631798741 /nfs/dbraw/zinc/79/87/41/631798741.db2.gz YFEKXFRRUNYUJK-WCBMZHEXSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1O ZINC000309013190 631798747 /nfs/dbraw/zinc/79/87/47/631798747.db2.gz YFEKXFRRUNYUJK-WCBMZHEXSA-N 1 2 210.281 0.018 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCCO1 ZINC000051554669 631802240 /nfs/dbraw/zinc/80/22/40/631802240.db2.gz BXGKDURQNDXBAV-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCCO1 ZINC000051554669 631802245 /nfs/dbraw/zinc/80/22/45/631802245.db2.gz BXGKDURQNDXBAV-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934477605 631872101 /nfs/dbraw/zinc/87/21/01/631872101.db2.gz LRFLUROQYMCNFO-GFCCVEGCSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934477605 631872106 /nfs/dbraw/zinc/87/21/06/631872106.db2.gz LRFLUROQYMCNFO-GFCCVEGCSA-N 1 2 242.319 0.507 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934569182 631939709 /nfs/dbraw/zinc/93/97/09/631939709.db2.gz XNIKGGDQBBPBTG-UWVGGRQHSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934569182 631939712 /nfs/dbraw/zinc/93/97/12/631939712.db2.gz XNIKGGDQBBPBTG-UWVGGRQHSA-N 1 2 233.283 0.733 20 0 BCADLO Nc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)ccn1 ZINC000934574523 631946950 /nfs/dbraw/zinc/94/69/50/631946950.db2.gz UBKMRIOCFQGJGT-UWVGGRQHSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)ccn1 ZINC000934574523 631946953 /nfs/dbraw/zinc/94/69/53/631946953.db2.gz UBKMRIOCFQGJGT-UWVGGRQHSA-N 1 2 225.267 0.569 20 0 BCADLO CCCn1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000161389578 631986094 /nfs/dbraw/zinc/98/60/94/631986094.db2.gz HZXXNWPAMWRAMA-VIFPVBQESA-N 1 2 240.332 0.894 20 0 BCADLO CCCn1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000161389710 631987952 /nfs/dbraw/zinc/98/79/52/631987952.db2.gz HZXXNWPAMWRAMA-SECBINFHSA-N 1 2 240.332 0.894 20 0 BCADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@@H]2CCO[C@@H]21 ZINC000309358920 632010444 /nfs/dbraw/zinc/01/04/44/632010444.db2.gz ADOPATFEJKRVHJ-JLIMGVALSA-N 1 2 225.288 0.705 20 0 BCADLO CC[C@@H](F)C(=O)N1CC[NH+](CCOC)CC1 ZINC000949686814 632027977 /nfs/dbraw/zinc/02/79/77/632027977.db2.gz NNTKMKYGLHKZCD-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777833 635747081 /nfs/dbraw/zinc/74/70/81/635747081.db2.gz OLQSGOHOYUARJD-KPXOXKRLSA-N 1 2 249.314 0.951 20 0 BCADLO Cc1cc(C)n(Cc2ccc[nH+]c2N)c(=O)n1 ZINC000052732080 632469407 /nfs/dbraw/zinc/46/94/07/632469407.db2.gz DESVFVWDSGYIJF-UHFFFAOYSA-N 1 2 230.271 0.886 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCNC(C)=O ZINC000308937407 632527785 /nfs/dbraw/zinc/52/77/85/632527785.db2.gz LEZJCIVVSCLPJA-UHFFFAOYSA-N 1 2 216.281 0.054 20 0 BCADLO Cc1nc(N[C@@H]2CCO[C@H]2C2CC2)nc(N)[nH+]1 ZINC000310136916 632702539 /nfs/dbraw/zinc/70/25/39/632702539.db2.gz BYNCMVCJPLFZBO-BDAKNGLRSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCO[C@H]2C2CC2)[nH+]1 ZINC000310136916 632702544 /nfs/dbraw/zinc/70/25/44/632702544.db2.gz BYNCMVCJPLFZBO-BDAKNGLRSA-N 1 2 235.291 0.742 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926638958 632761689 /nfs/dbraw/zinc/76/16/89/632761689.db2.gz YPBDDFJTGBKGNS-WHGOUJPWSA-N 1 2 242.275 0.231 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccoc1 ZINC000092042393 632819106 /nfs/dbraw/zinc/81/91/06/632819106.db2.gz IZNNKZNZXRQTJM-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccoc1 ZINC000092042393 632819109 /nfs/dbraw/zinc/81/91/09/632819109.db2.gz IZNNKZNZXRQTJM-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO O=C1CC[N@H+](CN2CCSC2=S)CCN1 ZINC000044781981 635868425 /nfs/dbraw/zinc/86/84/25/635868425.db2.gz XUTVFZFKFKSULL-UHFFFAOYSA-N 1 2 245.373 0.100 20 0 BCADLO O=C1CC[N@@H+](CN2CCSC2=S)CCN1 ZINC000044781981 635868430 /nfs/dbraw/zinc/86/84/30/635868430.db2.gz XUTVFZFKFKSULL-UHFFFAOYSA-N 1 2 245.373 0.100 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000926775497 633038293 /nfs/dbraw/zinc/03/82/93/633038293.db2.gz YYNCCWWJBNIUPU-SCZZXKLOSA-N 1 2 240.307 0.095 20 0 BCADLO CC(C)N1C[C@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000164240460 633074587 /nfs/dbraw/zinc/07/45/87/633074587.db2.gz CHYKOUCIWIBIGI-SECBINFHSA-N 1 2 222.292 0.509 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000336446499 635902669 /nfs/dbraw/zinc/90/26/69/635902669.db2.gz HZLVHVANLMWOMW-VXNVDRBHSA-N 1 2 208.265 0.628 20 0 BCADLO Cc1cc([C@H](C)[NH2+]CCS(C)(=O)=O)nn1C ZINC000309447344 633081776 /nfs/dbraw/zinc/08/17/76/633081776.db2.gz LSJKFWCSDRUCQX-VIFPVBQESA-N 1 2 245.348 0.424 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2c[nH]cn2)CN1C1CC1 ZINC000165186457 633087323 /nfs/dbraw/zinc/08/73/23/633087323.db2.gz QVVRPUVKULREFD-MRVPVSSYSA-N 1 2 220.276 0.263 20 0 BCADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCO1)C2 ZINC000166041937 633106029 /nfs/dbraw/zinc/10/60/29/633106029.db2.gz DFJBVSRUDQIHCQ-VIFPVBQESA-N 1 2 235.287 0.987 20 0 BCADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCO1)CC2 ZINC000166041937 633106035 /nfs/dbraw/zinc/10/60/35/633106035.db2.gz DFJBVSRUDQIHCQ-VIFPVBQESA-N 1 2 235.287 0.987 20 0 BCADLO Nc1cc(COC(=O)[C@@H](O)C2CC2)cc[nH+]1 ZINC000309541981 633193244 /nfs/dbraw/zinc/19/32/44/633193244.db2.gz GTMXNISWLPXDQK-JTQLQIEISA-N 1 2 222.244 0.478 20 0 BCADLO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000309574560 633201054 /nfs/dbraw/zinc/20/10/54/633201054.db2.gz ONTPVDMGTZGUQV-DOLQZWNJSA-N 1 2 227.304 0.951 20 0 BCADLO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000309574562 633201686 /nfs/dbraw/zinc/20/16/86/633201686.db2.gz ONTPVDMGTZGUQV-XFWSIPNHSA-N 1 2 227.304 0.951 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000306868562 635977104 /nfs/dbraw/zinc/97/71/04/635977104.db2.gz REPKYWBNFYCYQG-YUMQZZPRSA-N 1 2 213.306 0.787 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029180624 636004277 /nfs/dbraw/zinc/00/42/77/636004277.db2.gz VMSHKAZKQKHKSR-AOOOYVTPSA-N 1 2 200.257 0.651 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029180624 636004281 /nfs/dbraw/zinc/00/42/81/636004281.db2.gz VMSHKAZKQKHKSR-AOOOYVTPSA-N 1 2 200.257 0.651 20 0 BCADLO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029228745 636030362 /nfs/dbraw/zinc/03/03/62/636030362.db2.gz CAIQBYXGAWOGRW-GARJFASQSA-N 1 2 244.310 0.666 20 0 BCADLO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029228745 636030365 /nfs/dbraw/zinc/03/03/65/636030365.db2.gz CAIQBYXGAWOGRW-GARJFASQSA-N 1 2 244.310 0.666 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552916 636087563 /nfs/dbraw/zinc/08/75/63/636087563.db2.gz ADBGVHGKNQPNAA-RITPCOANSA-N 1 2 228.189 0.707 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000928552916 636087564 /nfs/dbraw/zinc/08/75/64/636087564.db2.gz ADBGVHGKNQPNAA-RITPCOANSA-N 1 2 228.189 0.707 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2CCCCNC2=O)s1 ZINC000309889362 633907395 /nfs/dbraw/zinc/90/73/95/633907395.db2.gz ZSXASWVQYMFRMM-QMMMGPOBSA-N 1 2 240.332 0.605 20 0 BCADLO CNC(=O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930743932 634079733 /nfs/dbraw/zinc/07/97/33/634079733.db2.gz QYPDKSVOEVFAME-UHFFFAOYSA-N 1 2 246.270 0.429 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000924125617 634101268 /nfs/dbraw/zinc/10/12/68/634101268.db2.gz OBNCQHYACMCQJY-NXEZZACHSA-N 1 2 224.260 0.851 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930863754 634142101 /nfs/dbraw/zinc/14/21/01/634142101.db2.gz QOGKNYMWJQUZNV-CRJGIDHWSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930863754 634142104 /nfs/dbraw/zinc/14/21/04/634142104.db2.gz QOGKNYMWJQUZNV-CRJGIDHWSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000296536845 634202478 /nfs/dbraw/zinc/20/24/78/634202478.db2.gz DRYQAZVKQAFAHE-BDAKNGLRSA-N 1 2 238.291 0.291 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000296536845 634202482 /nfs/dbraw/zinc/20/24/82/634202482.db2.gz DRYQAZVKQAFAHE-BDAKNGLRSA-N 1 2 238.291 0.291 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000191074744 634203363 /nfs/dbraw/zinc/20/33/63/634203363.db2.gz JFEMXBPTNJLBMR-QWRGUYRKSA-N 1 2 241.287 0.553 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000191074744 634203370 /nfs/dbraw/zinc/20/33/70/634203370.db2.gz JFEMXBPTNJLBMR-QWRGUYRKSA-N 1 2 241.287 0.553 20 0 BCADLO COC(C[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1)OC ZINC000931315005 634332984 /nfs/dbraw/zinc/33/29/84/634332984.db2.gz LMXGLZDYCUXQIP-UHFFFAOYSA-N 1 2 239.275 0.425 20 0 BCADLO COC(C[N@H+]1Cc2nc(C)[nH]c(=O)c2C1)OC ZINC000931315005 634332989 /nfs/dbraw/zinc/33/29/89/634332989.db2.gz LMXGLZDYCUXQIP-UHFFFAOYSA-N 1 2 239.275 0.425 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nonc1C ZINC001027709183 635121690 /nfs/dbraw/zinc/12/16/90/635121690.db2.gz BBENIJPPECAVQI-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nonc1C ZINC001027709183 635121700 /nfs/dbraw/zinc/12/17/00/635121700.db2.gz BBENIJPPECAVQI-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nnc(C)o1 ZINC001027709263 635121966 /nfs/dbraw/zinc/12/19/66/635121966.db2.gz CXOLIEGRMKDVBC-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nnc(C)o1 ZINC001027709263 635121972 /nfs/dbraw/zinc/12/19/72/635121972.db2.gz CXOLIEGRMKDVBC-SNVBAGLBSA-N 1 2 238.291 0.479 20 0 BCADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1cocn1 ZINC001027789921 635153348 /nfs/dbraw/zinc/15/33/48/635153348.db2.gz LYMUTDPQSMXFKH-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1cocn1 ZINC001027789921 635153355 /nfs/dbraw/zinc/15/33/55/635153355.db2.gz LYMUTDPQSMXFKH-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cnsn1 ZINC001010329078 635363889 /nfs/dbraw/zinc/36/38/89/635363889.db2.gz KCERBTLHZQYOKO-SSDOTTSWSA-N 1 2 244.295 0.312 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cnsn1 ZINC001010329078 635363893 /nfs/dbraw/zinc/36/38/93/635363893.db2.gz KCERBTLHZQYOKO-SSDOTTSWSA-N 1 2 244.295 0.312 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000261102630 635377802 /nfs/dbraw/zinc/37/78/02/635377802.db2.gz YVXZVEQXVQCELO-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000261102630 635377813 /nfs/dbraw/zinc/37/78/13/635377813.db2.gz YVXZVEQXVQCELO-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000261102631 635378843 /nfs/dbraw/zinc/37/88/43/635378843.db2.gz YVXZVEQXVQCELO-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000261102631 635378850 /nfs/dbraw/zinc/37/88/50/635378850.db2.gz YVXZVEQXVQCELO-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894171798 635737529 /nfs/dbraw/zinc/73/75/29/635737529.db2.gz NTGGCXYKZYXQMA-DTWKUNHWSA-N 1 2 238.291 0.368 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894171798 635737532 /nfs/dbraw/zinc/73/75/32/635737532.db2.gz NTGGCXYKZYXQMA-DTWKUNHWSA-N 1 2 238.291 0.368 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnn1C ZINC001029179733 636003605 /nfs/dbraw/zinc/00/36/05/636003605.db2.gz CZXBLRACXJIJPO-BETUJISGSA-N 1 2 248.330 0.615 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnn1C ZINC001029179733 636003610 /nfs/dbraw/zinc/00/36/10/636003610.db2.gz CZXBLRACXJIJPO-BETUJISGSA-N 1 2 248.330 0.615 20 0 BCADLO CCC(C)(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928552025 636085149 /nfs/dbraw/zinc/08/51/49/636085149.db2.gz RXVKRNPFFLZCHY-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO CCC(C)(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928552025 636085152 /nfs/dbraw/zinc/08/51/52/636085152.db2.gz RXVKRNPFFLZCHY-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cnn(C)c1 ZINC000925132344 636191850 /nfs/dbraw/zinc/19/18/50/636191850.db2.gz XIMPJDDNTMNECR-BDAKNGLRSA-N 1 2 234.307 0.960 20 0 BCADLO Cn1nccc1[C@H](O)CNc1cccc[nH+]1 ZINC000896631528 636210162 /nfs/dbraw/zinc/21/01/62/636210162.db2.gz ZLOUYYNNBWPDKM-SNVBAGLBSA-N 1 2 218.260 0.961 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCC[C@H]1O ZINC000909576266 636279414 /nfs/dbraw/zinc/27/94/14/636279414.db2.gz CFZGYMVUBAAPPK-NXEZZACHSA-N 1 2 235.287 0.523 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+](C)CCO ZINC000304329408 636322832 /nfs/dbraw/zinc/32/28/32/636322832.db2.gz RAUIJTFUAHMEKW-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+](C)CCO ZINC000304329408 636322837 /nfs/dbraw/zinc/32/28/37/636322837.db2.gz RAUIJTFUAHMEKW-VIFPVBQESA-N 1 2 203.282 0.642 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000928898408 636474850 /nfs/dbraw/zinc/47/48/50/636474850.db2.gz DOXHRGKUNUKMIV-DTWKUNHWSA-N 1 2 209.249 0.034 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000928908530 636495022 /nfs/dbraw/zinc/49/50/22/636495022.db2.gz IGHOQCGPTITBRQ-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000928909582 636497844 /nfs/dbraw/zinc/49/78/44/636497844.db2.gz GTTLNNBEFQTUOG-WPRPVWTQSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000928909582 636497850 /nfs/dbraw/zinc/49/78/50/636497850.db2.gz GTTLNNBEFQTUOG-WPRPVWTQSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000928909581 636498031 /nfs/dbraw/zinc/49/80/31/636498031.db2.gz GTTLNNBEFQTUOG-WCBMZHEXSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000928909581 636498035 /nfs/dbraw/zinc/49/80/35/636498035.db2.gz GTTLNNBEFQTUOG-WCBMZHEXSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928913632 636505892 /nfs/dbraw/zinc/50/58/92/636505892.db2.gz OUFGBSCFZNOGSO-SCVCMEIPSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928913620 636506234 /nfs/dbraw/zinc/50/62/34/636506234.db2.gz OUFGBSCFZNOGSO-CKYFFXLPSA-N 1 2 249.314 0.597 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2cnn(C)c2)C1=O ZINC000929132130 636817388 /nfs/dbraw/zinc/81/73/88/636817388.db2.gz DPBBREFGWQVZMX-JTQLQIEISA-N 1 2 238.291 0.014 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2cnn(C)c2)C1=O ZINC000929132130 636817391 /nfs/dbraw/zinc/81/73/91/636817391.db2.gz DPBBREFGWQVZMX-JTQLQIEISA-N 1 2 238.291 0.014 20 0 BCADLO CCn1ccnc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897872824 636841971 /nfs/dbraw/zinc/84/19/71/636841971.db2.gz WQMGJWFUDCOMQI-NSHDSACASA-N 1 2 222.292 0.271 20 0 BCADLO CC(C)CCCC[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897899536 636845837 /nfs/dbraw/zinc/84/58/37/636845837.db2.gz BOLQOXILFJCQTK-UHFFFAOYSA-N 1 2 239.319 0.707 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895816 637017975 /nfs/dbraw/zinc/01/79/75/637017975.db2.gz DEMHQGQTVAECQV-YUMQZZPRSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ncc[nH]3)no2)O1 ZINC000923895816 637017979 /nfs/dbraw/zinc/01/79/79/637017979.db2.gz DEMHQGQTVAECQV-YUMQZZPRSA-N 1 2 249.274 0.851 20 0 BCADLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)co1 ZINC000898887600 637061358 /nfs/dbraw/zinc/06/13/58/637061358.db2.gz CXIPRAALGHOHHJ-JTQLQIEISA-N 1 2 249.270 0.785 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC1(C)C ZINC000898887955 637062040 /nfs/dbraw/zinc/06/20/40/637062040.db2.gz GMEYOFXKWHBVJI-RKDXNWHRSA-N 1 2 237.303 0.616 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000898890079 637063403 /nfs/dbraw/zinc/06/34/03/637063403.db2.gz ZHXCDJFGJJVZQK-MIZYBKAJSA-N 1 2 249.314 0.616 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC12CCC2 ZINC000898888927 637063461 /nfs/dbraw/zinc/06/34/61/637063461.db2.gz SEONOUMDLYGHNC-NXEZZACHSA-N 1 2 249.314 0.760 20 0 BCADLO C[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898888868 637063811 /nfs/dbraw/zinc/06/38/11/637063811.db2.gz QXKBIEHJLQYXCU-WPRPVWTQSA-N 1 2 237.303 0.616 20 0 BCADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1nc[nH]n1 ZINC000900902983 637195134 /nfs/dbraw/zinc/19/51/34/637195134.db2.gz DJPIQVBUIBPGAS-MRVPVSSYSA-N 1 2 246.274 0.489 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900920211 637203435 /nfs/dbraw/zinc/20/34/35/637203435.db2.gz OOXDZOWDPAPVIE-NWALNABHSA-N 1 2 209.249 0.271 20 0 BCADLO Nc1ccc(Cn2nnc(C(F)(F)F)n2)c[nH+]1 ZINC000902649228 637320767 /nfs/dbraw/zinc/32/07/67/637320767.db2.gz XJUHLJOKONKYDE-UHFFFAOYSA-N 1 2 244.180 0.717 20 0 BCADLO CC[NH2+]Cc1noc(C2(n3cccn3)CC2)n1 ZINC000904501523 637430848 /nfs/dbraw/zinc/43/08/48/637430848.db2.gz XEGRBRBERJTUAT-UHFFFAOYSA-N 1 2 233.275 0.913 20 0 BCADLO CCc1nc[nH]c1C(=O)N1CC[NH+](C)CC1 ZINC000905017364 637548450 /nfs/dbraw/zinc/54/84/50/637548450.db2.gz JYPIVDDMRYGRRY-UHFFFAOYSA-N 1 2 222.292 0.360 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000905046384 637563047 /nfs/dbraw/zinc/56/30/47/637563047.db2.gz OJERMCVOAAMMOJ-JLLWLGSASA-N 1 2 247.298 0.615 20 0 BCADLO Cc1noc(C[NH2+]C[C@@H](O)C2(O)CCCC2)n1 ZINC000905093607 637630831 /nfs/dbraw/zinc/63/08/31/637630831.db2.gz LORYTHGGVKTGAV-SECBINFHSA-N 1 2 241.291 0.134 20 0 BCADLO N[C@H](CC1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905328519 637740704 /nfs/dbraw/zinc/74/07/04/637740704.db2.gz BHHYEKMXQFRFCQ-SSDOTTSWSA-N 1 2 208.265 0.817 20 0 BCADLO [NH3+]C1(c2noc([C@H]3CCCCN3)n2)CC1 ZINC000905314467 637740801 /nfs/dbraw/zinc/74/08/01/637740801.db2.gz JWDUIHGOWNMAIX-SSDOTTSWSA-N 1 2 208.265 0.832 20 0 BCADLO N[C@@H](c1nc(C2([NH3+])CC2)no1)C1CCC1 ZINC000905327715 637759406 /nfs/dbraw/zinc/75/94/06/637759406.db2.gz RHGOJPYRPQTGCE-SSDOTTSWSA-N 1 2 208.265 0.817 20 0 BCADLO CON1CC[C@@H]([NH2+][C@H](C)c2cscn2)C1=O ZINC000905777521 637909358 /nfs/dbraw/zinc/90/93/58/637909358.db2.gz FYKREPUZEGWHMD-HTQZYQBOSA-N 1 2 241.316 0.956 20 0 BCADLO C[C@@](O)(C[NH+]1CC2(C1)CCCO2)C(F)F ZINC000905964562 637984454 /nfs/dbraw/zinc/98/44/54/637984454.db2.gz DWDZJHWBHFYAEA-SECBINFHSA-N 1 2 221.247 0.867 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000905958759 638006341 /nfs/dbraw/zinc/00/63/41/638006341.db2.gz QVCCCMFNAAKZFZ-NSHDSACASA-N 1 2 243.347 0.763 20 0 BCADLO CCc1nc[nH]c1C(=O)NCCn1cc[nH+]c1 ZINC000906130594 638064495 /nfs/dbraw/zinc/06/44/95/638064495.db2.gz NYPQFWKOUGDTSZ-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO C[C@H](C(=O)NCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000906131289 638069281 /nfs/dbraw/zinc/06/92/81/638069281.db2.gz WFYNKZWOMPPIAX-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000906197910 638115949 /nfs/dbraw/zinc/11/59/49/638115949.db2.gz AKGNLSBFDCRXIX-LLHIFLOGSA-N 1 2 247.298 0.613 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906291156 638131779 /nfs/dbraw/zinc/13/17/79/638131779.db2.gz TWLBKFBSEWOVBL-LDYMZIIASA-N 1 2 222.292 0.568 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906291156 638131783 /nfs/dbraw/zinc/13/17/83/638131783.db2.gz TWLBKFBSEWOVBL-LDYMZIIASA-N 1 2 222.292 0.568 20 0 BCADLO Cc1cn2cc(NC(=O)CCC(N)=O)ccc2[nH+]1 ZINC000906499860 638195218 /nfs/dbraw/zinc/19/52/18/638195218.db2.gz OLMHMRLQRHKOBX-UHFFFAOYSA-N 1 2 246.270 0.847 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H]1C ZINC000906640672 638225926 /nfs/dbraw/zinc/22/59/26/638225926.db2.gz UQPVUOKSJPFBDL-JMJZKYOTSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)cc[nH+]1 ZINC000906661264 638233890 /nfs/dbraw/zinc/23/38/90/638233890.db2.gz MYXMQEZNIOOUGU-ZMLRMANQSA-N 1 2 230.267 0.976 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000907307379 638336431 /nfs/dbraw/zinc/33/64/31/638336431.db2.gz JICJLMMAHUQWSW-ZMLRMANQSA-N 1 2 247.298 0.304 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907312943 638337794 /nfs/dbraw/zinc/33/77/94/638337794.db2.gz MWKHLFHPEHVZRV-YUMQZZPRSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907312937 638338425 /nfs/dbraw/zinc/33/84/25/638338425.db2.gz MWKHLFHPEHVZRV-HTQZYQBOSA-N 1 2 211.265 0.228 20 0 BCADLO Cc1ncc(C(=O)NCCc2c[nH+]cn2C)n1C ZINC000907308149 638339049 /nfs/dbraw/zinc/33/90/49/638339049.db2.gz PEQRPDIUGBSFTH-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO C/C(=C\C(=O)N1CCCO1)C[NH+]1CCOCC1 ZINC000907297370 638345829 /nfs/dbraw/zinc/34/58/29/638345829.db2.gz ZNRIPRUOVRDFBX-PKNBQFBNSA-N 1 2 240.303 0.429 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1(CO)CCC1 ZINC000907346175 638350666 /nfs/dbraw/zinc/35/06/66/638350666.db2.gz YRUJDBVWRQRHAB-UHFFFAOYSA-N 1 2 249.314 0.772 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907374753 638365499 /nfs/dbraw/zinc/36/54/99/638365499.db2.gz QFTQGXZTWUNESP-LLVKDONJSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000907374430 638365715 /nfs/dbraw/zinc/36/57/15/638365715.db2.gz ODJIXYJZLGDYGX-CYBMUJFWSA-N 1 2 249.314 0.867 20 0 BCADLO CC(C)C[C@@H](CO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907465581 638382608 /nfs/dbraw/zinc/38/26/08/638382608.db2.gz AXHVLQPYEXEICG-NSHDSACASA-N 1 2 239.319 0.818 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907526813 638396352 /nfs/dbraw/zinc/39/63/52/638396352.db2.gz TYYIQYFNOBORGS-NBYFHADBSA-N 1 2 235.287 0.251 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907526808 638396854 /nfs/dbraw/zinc/39/68/54/638396854.db2.gz TYYIQYFNOBORGS-ADLDAWLNSA-N 1 2 235.287 0.251 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H]1CCO ZINC000907538190 638398947 /nfs/dbraw/zinc/39/89/47/638398947.db2.gz CHUJNDCZLVCNSQ-LLVKDONJSA-N 1 2 249.314 0.867 20 0 BCADLO CC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907546980 638403143 /nfs/dbraw/zinc/40/31/43/638403143.db2.gz DCRUDWFAVUAFHL-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000907550623 638404321 /nfs/dbraw/zinc/40/43/21/638404321.db2.gz PUHQFANVEJIYJZ-QWRGUYRKSA-N 1 2 249.314 0.913 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1(CCO)CC1 ZINC000907557428 638406370 /nfs/dbraw/zinc/40/63/70/638406370.db2.gz YTMMMPIMCWAAHW-UHFFFAOYSA-N 1 2 249.314 0.772 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC=CO1 ZINC000907590209 638412445 /nfs/dbraw/zinc/41/24/45/638412445.db2.gz MLVVKJFEFZCFED-SNVBAGLBSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(F)(F)C[C@H]1CO ZINC000907590557 638413037 /nfs/dbraw/zinc/41/30/37/638413037.db2.gz VKQAPOLTVHSSPA-QMMMGPOBSA-N 1 2 245.229 0.181 20 0 BCADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC000907622314 638422667 /nfs/dbraw/zinc/42/26/67/638422667.db2.gz MKMXGSBUTUKCNQ-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907642092 638431192 /nfs/dbraw/zinc/43/11/92/638431192.db2.gz GRLTYJAWWUHCEA-JGVFFNPUSA-N 1 2 211.265 0.492 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000907612612 638433039 /nfs/dbraw/zinc/43/30/39/638433039.db2.gz UYOSXYTWLXMPQU-MFKMUULPSA-N 1 2 247.298 0.334 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)CC(F)(F)C1 ZINC000907664350 638438352 /nfs/dbraw/zinc/43/83/52/638438352.db2.gz WVNUTNOBXZWNCN-QMMMGPOBSA-N 1 2 245.229 0.181 20 0 BCADLO C/C(=C/C(=O)N1CC(C)C1)C[NH+]1CCOCC1 ZINC000907765056 638465148 /nfs/dbraw/zinc/46/51/48/638465148.db2.gz FBKQSGCQOGKKII-XFFZJAGNSA-N 1 2 238.331 0.743 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCF ZINC000907834734 638483724 /nfs/dbraw/zinc/48/37/24/638483724.db2.gz BFQVEYZXMVZTMP-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C2CC2)O1 ZINC000907868392 638492898 /nfs/dbraw/zinc/49/28/98/638492898.db2.gz TYVZAWHWXLXWHD-SKDRFNHKSA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C2CC2)O1 ZINC000907868384 638493249 /nfs/dbraw/zinc/49/32/49/638493249.db2.gz TYVZAWHWXLXWHD-BXKDBHETSA-N 1 2 249.314 0.978 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOC(=O)C1CC1 ZINC000907994293 638542023 /nfs/dbraw/zinc/54/20/23/638542023.db2.gz ZJCKOZCOEBFNCA-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907999443 638552523 /nfs/dbraw/zinc/55/25/23/638552523.db2.gz CVZFDAFPMNBUAS-KOLCDFICSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907999445 638553125 /nfs/dbraw/zinc/55/31/25/638553125.db2.gz CVZFDAFPMNBUAS-MWLCHTKSSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(C1)CCCOC2 ZINC000908083660 638561630 /nfs/dbraw/zinc/56/16/30/638561630.db2.gz LLSQDNQTPAZBEO-ZDUSSCGKSA-N 1 2 249.314 0.981 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[C@H]21 ZINC000908133068 638578135 /nfs/dbraw/zinc/57/81/35/638578135.db2.gz KBZGZOCBRXEMIT-WCBMZHEXSA-N 1 2 205.261 0.963 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908190402 638598799 /nfs/dbraw/zinc/59/87/99/638598799.db2.gz CTMYNPHDSQPWLL-SECBINFHSA-N 1 2 225.292 0.333 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000908257673 638624960 /nfs/dbraw/zinc/62/49/60/638624960.db2.gz FALQCUFABAZPSA-WCBMZHEXSA-N 1 2 225.292 0.443 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC(C2CC2)C1 ZINC000908316213 638639723 /nfs/dbraw/zinc/63/97/23/638639723.db2.gz ACRGPYRPOSFBSF-UHFFFAOYSA-N 1 2 205.261 0.821 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000908385257 638682704 /nfs/dbraw/zinc/68/27/04/638682704.db2.gz BXIYUWBYQPZYSV-NSHDSACASA-N 1 2 249.314 0.883 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](O)C12CCCC2 ZINC000908401007 638695857 /nfs/dbraw/zinc/69/58/57/638695857.db2.gz PCWRXVIYXPNPTE-NSHDSACASA-N 1 2 249.314 0.858 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000908437529 638717326 /nfs/dbraw/zinc/71/73/26/638717326.db2.gz PVNVGUHDHGBCCB-VIFPVBQESA-N 1 2 225.292 0.618 20 0 BCADLO CC(=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908530790 639004134 /nfs/dbraw/zinc/00/41/34/639004134.db2.gz NWCCALIIKXTEDW-LLVKDONJSA-N 1 2 235.287 0.922 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1=CCOCC1 ZINC000908543530 639008299 /nfs/dbraw/zinc/00/82/99/639008299.db2.gz ZAHFDTNVCHAEKV-UHFFFAOYSA-N 1 2 247.298 0.956 20 0 BCADLO CC[C@@H]1[C@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908561451 639015804 /nfs/dbraw/zinc/01/58/04/639015804.db2.gz SYFOKPHDDVUGPT-GXSJLCMTSA-N 1 2 237.303 0.572 20 0 BCADLO CC1=NO[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000908706827 639056776 /nfs/dbraw/zinc/05/67/76/639056776.db2.gz OTUWJHDZRJXHIW-SNVBAGLBSA-N 1 2 248.286 0.775 20 0 BCADLO O=C(COC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908759285 639063261 /nfs/dbraw/zinc/06/32/61/639063261.db2.gz CXXJKKKGXLMYKX-QMMMGPOBSA-N 1 2 221.260 0.103 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761669 639063272 /nfs/dbraw/zinc/06/32/72/639063272.db2.gz VQGKWDPRLCNRQB-IQJOONFLSA-N 1 2 235.287 0.349 20 0 BCADLO CCc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)no1 ZINC000908760948 639063631 /nfs/dbraw/zinc/06/36/31/639063631.db2.gz QDYDJPVJJVUEKB-MRVPVSSYSA-N 1 2 246.270 0.788 20 0 BCADLO COC[C@@H]1CCC[N@@H+]1Cn1ccsc1=O ZINC000746612462 639229927 /nfs/dbraw/zinc/22/99/27/639229927.db2.gz AVXLVHRYUOPXQQ-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO COC[C@@H]1CCC[N@H+]1Cn1ccsc1=O ZINC000746612462 639229932 /nfs/dbraw/zinc/22/99/32/639229932.db2.gz AVXLVHRYUOPXQQ-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CCC[C@H](O)C(=O)OCCc1c[nH+]cn1C ZINC000909877101 639249290 /nfs/dbraw/zinc/24/92/90/639249290.db2.gz FTPALNPGGNPZAK-JTQLQIEISA-N 1 2 226.276 0.667 20 0 BCADLO CCC[C@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000909877447 639250182 /nfs/dbraw/zinc/25/01/82/639250182.db2.gz LIYXPWFQPZUAKY-VIFPVBQESA-N 1 2 224.260 0.868 20 0 BCADLO CC[C@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000909924469 639270412 /nfs/dbraw/zinc/27/04/12/639270412.db2.gz HRMMTKCCVSJANZ-NSHDSACASA-N 1 2 226.276 0.977 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=CC1 ZINC000910020412 639314070 /nfs/dbraw/zinc/31/40/70/639314070.db2.gz IEUCWUDCBGZTIQ-VIFPVBQESA-N 1 2 205.261 0.987 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=CC1 ZINC000910020412 639314074 /nfs/dbraw/zinc/31/40/74/639314074.db2.gz IEUCWUDCBGZTIQ-VIFPVBQESA-N 1 2 205.261 0.987 20 0 BCADLO C[C@@H](C(=O)N1CC=CC1)[NH+]1CCN(C)CC1 ZINC000910009101 639324202 /nfs/dbraw/zinc/32/42/02/639324202.db2.gz FDEIKVUEXBCVIW-NSHDSACASA-N 1 2 223.320 0.021 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C2CCC2)C1 ZINC000910402880 639432400 /nfs/dbraw/zinc/43/24/00/639432400.db2.gz XNUCVDQJXOYSHD-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO CCn1ccc(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000910410619 639441174 /nfs/dbraw/zinc/44/11/74/639441174.db2.gz PNCSNRFQFUSQAQ-UHFFFAOYSA-N 1 2 233.275 0.485 20 0 BCADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910561312 639481154 /nfs/dbraw/zinc/48/11/54/639481154.db2.gz SXIVUVRZYSPMDR-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO COCn1cc(NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000910632757 639492070 /nfs/dbraw/zinc/49/20/70/639492070.db2.gz VURJDRMBNRJSAO-UHFFFAOYSA-N 1 2 249.274 0.700 20 0 BCADLO C[C@H]1C[C@H](CO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911183451 639589242 /nfs/dbraw/zinc/58/92/42/639589242.db2.gz RSRHOKYPINVISK-UWVGGRQHSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@@H]1CN=C(NC(=O)Cc2c[nH]c[nH+]2)S1 ZINC000911334355 639622016 /nfs/dbraw/zinc/62/20/16/639622016.db2.gz XCAWYKYJENRSNA-ZCFIWIBFSA-N 1 2 224.289 0.560 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCOC1 ZINC000911316599 639622300 /nfs/dbraw/zinc/62/23/00/639622300.db2.gz OVNMMSWVSLXSJC-SECBINFHSA-N 1 2 221.260 0.399 20 0 BCADLO CC[C@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000930223050 639639093 /nfs/dbraw/zinc/63/90/93/639639093.db2.gz UFLOWZIRKDQEEB-JTQLQIEISA-N 1 2 211.265 0.160 20 0 BCADLO CON1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000930243261 639653716 /nfs/dbraw/zinc/65/37/16/639653716.db2.gz CGNKXSDQFXOZCU-GUBZILKMSA-N 1 2 230.283 0.829 20 0 BCADLO CON1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000930243261 639653728 /nfs/dbraw/zinc/65/37/28/639653728.db2.gz CGNKXSDQFXOZCU-GUBZILKMSA-N 1 2 230.283 0.829 20 0 BCADLO CCc1ncc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000930242991 639654112 /nfs/dbraw/zinc/65/41/12/639654112.db2.gz DONAIOPUOWFQDZ-UHFFFAOYSA-N 1 2 209.249 0.345 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000911511014 639658013 /nfs/dbraw/zinc/65/80/13/639658013.db2.gz HIWKQCYFHPFXBQ-KOLCDFICSA-N 1 2 235.287 0.590 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000911600558 639673923 /nfs/dbraw/zinc/67/39/23/639673923.db2.gz ZZTZKMLHMQJGOM-APPZFPTMSA-N 1 2 209.249 0.246 20 0 BCADLO C[C@@H]1SCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911603882 639674005 /nfs/dbraw/zinc/67/40/05/639674005.db2.gz CFIZZDANUPHFBU-IONNQARKSA-N 1 2 225.317 0.962 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@H]1CCOC1 ZINC000930286758 639680612 /nfs/dbraw/zinc/68/06/12/639680612.db2.gz APFNKWAYKBXBLT-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@H]1CCOC1 ZINC000930286758 639680615 /nfs/dbraw/zinc/68/06/15/639680615.db2.gz APFNKWAYKBXBLT-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000930304152 639681706 /nfs/dbraw/zinc/68/17/06/639681706.db2.gz SVUFQKBISKVNKR-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000930304152 639681710 /nfs/dbraw/zinc/68/17/10/639681710.db2.gz SVUFQKBISKVNKR-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000930308321 639695473 /nfs/dbraw/zinc/69/54/73/639695473.db2.gz WVZOMESNINXDQQ-KCJUWKMLSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000930308321 639695475 /nfs/dbraw/zinc/69/54/75/639695475.db2.gz WVZOMESNINXDQQ-KCJUWKMLSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000930308322 639696024 /nfs/dbraw/zinc/69/60/24/639696024.db2.gz WVZOMESNINXDQQ-KWQFWETISA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000930308322 639696027 /nfs/dbraw/zinc/69/60/27/639696027.db2.gz WVZOMESNINXDQQ-KWQFWETISA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](c1ncccn1)[N@H+](C)CCOCCO ZINC000930340269 639715131 /nfs/dbraw/zinc/71/51/31/639715131.db2.gz GTZLZLAIBAXLNL-SNVBAGLBSA-N 1 2 225.292 0.478 20 0 BCADLO C[C@H](c1ncccn1)[N@@H+](C)CCOCCO ZINC000930340269 639715135 /nfs/dbraw/zinc/71/51/35/639715135.db2.gz GTZLZLAIBAXLNL-SNVBAGLBSA-N 1 2 225.292 0.478 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000930348658 639718887 /nfs/dbraw/zinc/71/88/87/639718887.db2.gz VGPMTKMZALOMLS-SECBINFHSA-N 1 2 241.262 0.373 20 0 BCADLO OC[C@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000930348658 639718889 /nfs/dbraw/zinc/71/88/89/639718889.db2.gz VGPMTKMZALOMLS-SECBINFHSA-N 1 2 241.262 0.373 20 0 BCADLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)CO)n1 ZINC000930474917 639771160 /nfs/dbraw/zinc/77/11/60/639771160.db2.gz BZFWJPDMIFONGR-NXEZZACHSA-N 1 2 241.291 0.258 20 0 BCADLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)CO)n1 ZINC000930474917 639771164 /nfs/dbraw/zinc/77/11/64/639771164.db2.gz BZFWJPDMIFONGR-NXEZZACHSA-N 1 2 241.291 0.258 20 0 BCADLO CC[C@@H](CO)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499073 639785913 /nfs/dbraw/zinc/78/59/13/639785913.db2.gz UKKXYJCYMNEVKU-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H](CO)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499073 639785922 /nfs/dbraw/zinc/78/59/22/639785922.db2.gz UKKXYJCYMNEVKU-IUCAKERBSA-N 1 2 240.307 0.461 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc(CC)o1 ZINC000930560882 639811374 /nfs/dbraw/zinc/81/13/74/639811374.db2.gz OLGCIIGWTCFOHT-UHFFFAOYSA-N 1 2 225.292 0.934 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc(CC)o1 ZINC000930560882 639811375 /nfs/dbraw/zinc/81/13/75/639811375.db2.gz OLGCIIGWTCFOHT-UHFFFAOYSA-N 1 2 225.292 0.934 20 0 BCADLO C[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)CC[NH2+]1 ZINC000911802985 639824897 /nfs/dbraw/zinc/82/48/97/639824897.db2.gz NZKHOPNACWBPCE-SECBINFHSA-N 1 2 244.298 0.997 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@H]2CO)c(C)c[nH+]1 ZINC000930624934 639829193 /nfs/dbraw/zinc/82/91/93/639829193.db2.gz IXOWWLPTTJSIQT-JTQLQIEISA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911919796 639879218 /nfs/dbraw/zinc/87/92/18/639879218.db2.gz WEPWTJSUYHWAES-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO CC(C)(C)CCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734248 639884473 /nfs/dbraw/zinc/88/44/73/639884473.db2.gz NBRSBSSUKJHDDI-UHFFFAOYSA-N 1 2 234.365 0.785 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930740523 639890591 /nfs/dbraw/zinc/89/05/91/639890591.db2.gz ZOFHMEFALLISOQ-RYUDHWBXSA-N 1 2 247.335 0.121 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930740523 639890595 /nfs/dbraw/zinc/89/05/95/639890595.db2.gz ZOFHMEFALLISOQ-RYUDHWBXSA-N 1 2 247.335 0.121 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@H](CC)CO)C1 ZINC000930761748 639903951 /nfs/dbraw/zinc/90/39/51/639903951.db2.gz QUULJYGBRUDMPP-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@H](CC)CO)C1 ZINC000930761748 639903957 /nfs/dbraw/zinc/90/39/57/639903957.db2.gz QUULJYGBRUDMPP-SECBINFHSA-N 1 2 200.282 0.269 20 0 BCADLO COC(C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C)OC ZINC000930835535 639935298 /nfs/dbraw/zinc/93/52/98/639935298.db2.gz BKRAFVMBUPVIGE-IWSPIJDZSA-N 1 2 230.308 0.203 20 0 BCADLO COC(C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C)OC ZINC000930835535 639935303 /nfs/dbraw/zinc/93/53/03/639935303.db2.gz BKRAFVMBUPVIGE-IWSPIJDZSA-N 1 2 230.308 0.203 20 0 BCADLO C[C@H](CO)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930878634 639967772 /nfs/dbraw/zinc/96/77/72/639967772.db2.gz ZWTYWQBXEASJAA-KWQFWETISA-N 1 2 215.293 0.689 20 0 BCADLO CC(=O)NCCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930876897 639968320 /nfs/dbraw/zinc/96/83/20/639968320.db2.gz UQBXSOOQSBHEME-LBPRGKRZSA-N 1 2 242.319 0.586 20 0 BCADLO C[C@@H]1CCCCN1NC(=O)Cc1c[nH+]cn1C ZINC000912146395 639971611 /nfs/dbraw/zinc/97/16/11/639971611.db2.gz WOQDGBPAQDXWMN-SNVBAGLBSA-N 1 2 236.319 0.868 20 0 BCADLO Cc1cc(C)nc(C[NH2+][C@@]2(C(N)=O)CCOC2)c1 ZINC000930889560 639972734 /nfs/dbraw/zinc/97/27/34/639972734.db2.gz SOUFNJAGMUXGPZ-ZDUSSCGKSA-N 1 2 249.314 0.432 20 0 BCADLO CON(C)CCNC(=O)CNc1cccc[nH+]1 ZINC000912161392 639982229 /nfs/dbraw/zinc/98/22/29/639982229.db2.gz BAMXBARIDMHWCW-UHFFFAOYSA-N 1 2 238.291 0.103 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCC2(COC2)O1 ZINC000930914003 639985282 /nfs/dbraw/zinc/98/52/82/639985282.db2.gz CGLSNKNCFVRJHU-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCC2(COC2)O1 ZINC000930914003 639985283 /nfs/dbraw/zinc/98/52/83/639985283.db2.gz CGLSNKNCFVRJHU-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCC2(COC2)O1 ZINC000930914003 639985284 /nfs/dbraw/zinc/98/52/84/639985284.db2.gz CGLSNKNCFVRJHU-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCC2(COC2)O1 ZINC000930914003 639985285 /nfs/dbraw/zinc/98/52/85/639985285.db2.gz CGLSNKNCFVRJHU-LLVKDONJSA-N 1 2 237.303 0.790 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)C1(O)CCC1 ZINC000930916712 639986935 /nfs/dbraw/zinc/98/69/35/639986935.db2.gz RLCRPXVRWTXHRB-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)C1(O)CCC1 ZINC000930916712 639986939 /nfs/dbraw/zinc/98/69/39/639986939.db2.gz RLCRPXVRWTXHRB-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)C1(O)CCC1 ZINC000930916712 639986947 /nfs/dbraw/zinc/98/69/47/639986947.db2.gz RLCRPXVRWTXHRB-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)C1(O)CCC1 ZINC000930916712 639986949 /nfs/dbraw/zinc/98/69/49/639986949.db2.gz RLCRPXVRWTXHRB-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)C1(O)CCCC1 ZINC000930917484 639988929 /nfs/dbraw/zinc/98/89/29/639988929.db2.gz WWQFQBVJHWPDLP-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)C1(O)CCCC1 ZINC000930917484 639988933 /nfs/dbraw/zinc/98/89/33/639988933.db2.gz WWQFQBVJHWPDLP-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)C1(O)CCCC1 ZINC000930917484 639988938 /nfs/dbraw/zinc/98/89/38/639988938.db2.gz WWQFQBVJHWPDLP-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)C1(O)CCCC1 ZINC000930917484 639988943 /nfs/dbraw/zinc/98/89/43/639988943.db2.gz WWQFQBVJHWPDLP-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912190361 639996953 /nfs/dbraw/zinc/99/69/53/639996953.db2.gz QZEGOQQLYCDCME-GFCCVEGCSA-N 1 2 247.298 0.853 20 0 BCADLO C[C@@H](c1ncccn1)[N@H+]1CCC(=O)N(C)CC1 ZINC000930990213 640014824 /nfs/dbraw/zinc/01/48/24/640014824.db2.gz KRQZRBIHYLHIOQ-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO C[C@@H](c1ncccn1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000930990213 640014825 /nfs/dbraw/zinc/01/48/25/640014825.db2.gz KRQZRBIHYLHIOQ-JTQLQIEISA-N 1 2 234.303 0.702 20 0 BCADLO COC/C(C)=C/C[N@H+](C)Cc1cn(C)nn1 ZINC000931015710 640020977 /nfs/dbraw/zinc/02/09/77/640020977.db2.gz HAYJVKRMTAHLFK-BJMVGYQFSA-N 1 2 224.308 0.840 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)Cc1cn(C)nn1 ZINC000931015710 640020982 /nfs/dbraw/zinc/02/09/82/640020982.db2.gz HAYJVKRMTAHLFK-BJMVGYQFSA-N 1 2 224.308 0.840 20 0 BCADLO Cn1cc(C[N@H+](C)CCO[C@H]2CCOC2)nn1 ZINC000931016711 640021939 /nfs/dbraw/zinc/02/19/39/640021939.db2.gz YLLBOBQVYPSAIT-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO Cn1cc(C[N@@H+](C)CCO[C@H]2CCOC2)nn1 ZINC000931016711 640021943 /nfs/dbraw/zinc/02/19/43/640021943.db2.gz YLLBOBQVYPSAIT-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO CN(Cc1ccns1)C(=O)Cn1cc[nH+]c1 ZINC000912338225 640033276 /nfs/dbraw/zinc/03/32/76/640033276.db2.gz PGRQZYRHGDXHMK-UHFFFAOYSA-N 1 2 236.300 0.998 20 0 BCADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)C1(CO)CC1 ZINC000912399805 640052688 /nfs/dbraw/zinc/05/26/88/640052688.db2.gz ZAPCINFXUGMEIX-SNVBAGLBSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(C)nc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000931089368 640063414 /nfs/dbraw/zinc/06/34/14/640063414.db2.gz VICMIVBTBMAOHG-NEPJUHHUSA-N 1 2 249.314 0.119 20 0 BCADLO Cc1cc(C)nc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000931089368 640063423 /nfs/dbraw/zinc/06/34/23/640063423.db2.gz VICMIVBTBMAOHG-NEPJUHHUSA-N 1 2 249.314 0.119 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nncs2)C[C@H]1CO ZINC000931099216 640063731 /nfs/dbraw/zinc/06/37/31/640063731.db2.gz AMKKELWEWIDPHC-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nncs2)C[C@H]1CO ZINC000931099216 640063735 /nfs/dbraw/zinc/06/37/35/640063735.db2.gz AMKKELWEWIDPHC-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2CCOC2)n[nH]1 ZINC000931136196 640072344 /nfs/dbraw/zinc/07/23/44/640072344.db2.gz MYNLOPANVKNWCR-ZJUUUORDSA-N 1 2 222.292 0.978 20 0 BCADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)n[nH]1 ZINC000931136196 640072351 /nfs/dbraw/zinc/07/23/51/640072351.db2.gz MYNLOPANVKNWCR-ZJUUUORDSA-N 1 2 222.292 0.978 20 0 BCADLO OCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134606 640073211 /nfs/dbraw/zinc/07/32/11/640073211.db2.gz DZTILRGOSJXNRM-VIFPVBQESA-N 1 2 210.281 0.714 20 0 BCADLO OCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134606 640073215 /nfs/dbraw/zinc/07/32/15/640073215.db2.gz DZTILRGOSJXNRM-VIFPVBQESA-N 1 2 210.281 0.714 20 0 BCADLO C[N@H+](CCCC1CC1)C1CS(=O)(=O)C1 ZINC000931233263 640104517 /nfs/dbraw/zinc/10/45/17/640104517.db2.gz JANUHJAXAZVPMC-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[N@@H+](CCCC1CC1)C1CS(=O)(=O)C1 ZINC000931233263 640104525 /nfs/dbraw/zinc/10/45/25/640104525.db2.gz JANUHJAXAZVPMC-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931232358 640105435 /nfs/dbraw/zinc/10/54/35/640105435.db2.gz BDSMMVMKPHNILT-RKDXNWHRSA-N 1 2 233.333 0.140 20 0 BCADLO C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931232358 640105439 /nfs/dbraw/zinc/10/54/39/640105439.db2.gz BDSMMVMKPHNILT-RKDXNWHRSA-N 1 2 233.333 0.140 20 0 BCADLO C[N@H+](CCC[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931232883 640105584 /nfs/dbraw/zinc/10/55/84/640105584.db2.gz HASINIZEBNLOKJ-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[N@@H+](CCC[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931232883 640105587 /nfs/dbraw/zinc/10/55/87/640105587.db2.gz HASINIZEBNLOKJ-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[N@H+](C[C@H]1C[C@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233749 640108300 /nfs/dbraw/zinc/10/83/00/640108300.db2.gz JEJPWXVYSFUXRX-KOLCDFICSA-N 1 2 245.344 0.142 20 0 BCADLO C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233749 640108308 /nfs/dbraw/zinc/10/83/08/640108308.db2.gz JEJPWXVYSFUXRX-KOLCDFICSA-N 1 2 245.344 0.142 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235712 640108607 /nfs/dbraw/zinc/10/86/07/640108607.db2.gz GAQVUERDFQFQMX-WCBMZHEXSA-N 1 2 233.333 0.283 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+](C)C2CS(=O)(=O)C2)C1 ZINC000931235712 640108611 /nfs/dbraw/zinc/10/86/11/640108611.db2.gz GAQVUERDFQFQMX-WCBMZHEXSA-N 1 2 233.333 0.283 20 0 BCADLO CN(CCCn1cc[nH+]c1)C1CS(=O)(=O)C1 ZINC000931236305 640110867 /nfs/dbraw/zinc/11/08/67/640110867.db2.gz ASJFMFIHTAENRY-UHFFFAOYSA-N 1 2 243.332 0.002 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000931257674 640118735 /nfs/dbraw/zinc/11/87/35/640118735.db2.gz GTELAOTUSUBLLO-NSHDSACASA-N 1 2 249.314 0.065 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000931257674 640118743 /nfs/dbraw/zinc/11/87/43/640118743.db2.gz GTELAOTUSUBLLO-NSHDSACASA-N 1 2 249.314 0.065 20 0 BCADLO CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)c1nn[nH]n1 ZINC000912616364 640124326 /nfs/dbraw/zinc/12/43/26/640124326.db2.gz DGKKUSWPFSLHJS-SSDOTTSWSA-N 1 2 238.295 0.035 20 0 BCADLO CC(=O)CC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000156078276 640128517 /nfs/dbraw/zinc/12/85/17/640128517.db2.gz VOSPCDRAXLHAKQ-SECBINFHSA-N 1 2 247.360 0.863 20 0 BCADLO CC(=O)CC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000156078276 640128536 /nfs/dbraw/zinc/12/85/36/640128536.db2.gz VOSPCDRAXLHAKQ-SECBINFHSA-N 1 2 247.360 0.863 20 0 BCADLO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)c1nn[nH]n1 ZINC000912618471 640130833 /nfs/dbraw/zinc/13/08/33/640130833.db2.gz VNPZDLZYFKSBIH-MRVPVSSYSA-N 1 2 238.295 0.037 20 0 BCADLO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)c1nn[nH]n1 ZINC000912618471 640130835 /nfs/dbraw/zinc/13/08/35/640130835.db2.gz VNPZDLZYFKSBIH-MRVPVSSYSA-N 1 2 238.295 0.037 20 0 BCADLO CC(=O)CC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000156076397 640134292 /nfs/dbraw/zinc/13/42/92/640134292.db2.gz PMRQBMODOBJDAB-VHSXEESVSA-N 1 2 235.349 0.719 20 0 BCADLO CC(=O)CC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000156076397 640134298 /nfs/dbraw/zinc/13/42/98/640134298.db2.gz PMRQBMODOBJDAB-VHSXEESVSA-N 1 2 235.349 0.719 20 0 BCADLO C/C=C/C=C/C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912616260 640140766 /nfs/dbraw/zinc/14/07/66/640140766.db2.gz ZIHZWFZOLYDDGA-MGCXLJFFSA-N 1 2 235.287 0.702 20 0 BCADLO CC(C)(CNC(=O)Cc1nc[nH]n1)n1cc[nH+]c1 ZINC000912615488 640141111 /nfs/dbraw/zinc/14/11/11/640141111.db2.gz YIHAYBSYHJOEJX-UHFFFAOYSA-N 1 2 248.290 0.095 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H]1CCC(=O)O1)C2 ZINC000931313760 640151347 /nfs/dbraw/zinc/15/13/47/640151347.db2.gz OUEIDCHZNIHZGK-MRVPVSSYSA-N 1 2 249.270 0.512 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@H]1CCC(=O)O1)C2 ZINC000931313760 640151354 /nfs/dbraw/zinc/15/13/54/640151354.db2.gz OUEIDCHZNIHZGK-MRVPVSSYSA-N 1 2 249.270 0.512 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000931336092 640162711 /nfs/dbraw/zinc/16/27/11/640162711.db2.gz KLGVZIFWAQUYSL-LLVKDONJSA-N 1 2 241.262 0.373 20 0 BCADLO OC[C@H](O)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000931336092 640162715 /nfs/dbraw/zinc/16/27/15/640162715.db2.gz KLGVZIFWAQUYSL-LLVKDONJSA-N 1 2 241.262 0.373 20 0 BCADLO CC(C)CC[C@@H](O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931400416 640180266 /nfs/dbraw/zinc/18/02/66/640180266.db2.gz YKHFCUUWZFHOBX-CHWSQXEVSA-N 1 2 244.379 0.392 20 0 BCADLO CC(C)CC[C@@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931400416 640180269 /nfs/dbraw/zinc/18/02/69/640180269.db2.gz YKHFCUUWZFHOBX-CHWSQXEVSA-N 1 2 244.379 0.392 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931408931 640181381 /nfs/dbraw/zinc/18/13/81/640181381.db2.gz HDHYJIWRIOSJTF-YPMHNXCESA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931408931 640181389 /nfs/dbraw/zinc/18/13/89/640181389.db2.gz HDHYJIWRIOSJTF-YPMHNXCESA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931402391 640182696 /nfs/dbraw/zinc/18/26/96/640182696.db2.gz VNULYWWJHSYSFQ-NEPJUHHUSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931402391 640182699 /nfs/dbraw/zinc/18/26/99/640182699.db2.gz VNULYWWJHSYSFQ-NEPJUHHUSA-N 1 2 235.331 0.751 20 0 BCADLO COCCCCCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931406662 640183462 /nfs/dbraw/zinc/18/34/62/640183462.db2.gz CFAJKCQRSDAMKP-GFCCVEGCSA-N 1 2 230.352 0.411 20 0 BCADLO COCCCCCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931406662 640183469 /nfs/dbraw/zinc/18/34/69/640183469.db2.gz CFAJKCQRSDAMKP-GFCCVEGCSA-N 1 2 230.352 0.411 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912736213 640186862 /nfs/dbraw/zinc/18/68/62/640186862.db2.gz PSCLOMKUJJEQCC-BABIGQSTSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912736213 640186864 /nfs/dbraw/zinc/18/68/64/640186864.db2.gz PSCLOMKUJJEQCC-BABIGQSTSA-N 1 2 230.283 0.385 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739707 640188720 /nfs/dbraw/zinc/18/87/20/640188720.db2.gz FMCBFAHOWUZVSF-ZJUUUORDSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739707 640188725 /nfs/dbraw/zinc/18/87/25/640188725.db2.gz FMCBFAHOWUZVSF-ZJUUUORDSA-N 1 2 232.299 0.115 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740932 640189170 /nfs/dbraw/zinc/18/91/70/640189170.db2.gz GYSMPLJIHFALPF-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740932 640189176 /nfs/dbraw/zinc/18/91/76/640189176.db2.gz GYSMPLJIHFALPF-ZJUUUORDSA-N 1 2 246.376 0.263 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)Cc2c[nH]nc21 ZINC000931456727 640213660 /nfs/dbraw/zinc/21/36/60/640213660.db2.gz XARHTGXPRLGQDZ-MRVPVSSYSA-N 1 2 234.303 0.607 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)Cc2c[nH]nc21 ZINC000931456727 640213661 /nfs/dbraw/zinc/21/36/61/640213661.db2.gz XARHTGXPRLGQDZ-MRVPVSSYSA-N 1 2 234.303 0.607 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnn(C)n2)Cc2c[nH]nc21 ZINC000931461683 640220559 /nfs/dbraw/zinc/22/05/59/640220559.db2.gz XNACKNVSCZNDQS-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnn(C)n2)Cc2c[nH]nc21 ZINC000931461683 640220564 /nfs/dbraw/zinc/22/05/64/640220564.db2.gz XNACKNVSCZNDQS-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO COc1nnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)s1 ZINC000931606982 640284436 /nfs/dbraw/zinc/28/44/36/640284436.db2.gz JNJBGKJXQAIWMH-OCAPTIKFSA-N 1 2 241.316 0.625 20 0 BCADLO COc1nnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)s1 ZINC000931606982 640284437 /nfs/dbraw/zinc/28/44/37/640284437.db2.gz JNJBGKJXQAIWMH-OCAPTIKFSA-N 1 2 241.316 0.625 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931656074 640305406 /nfs/dbraw/zinc/30/54/06/640305406.db2.gz NFBXLFAWOPFDSM-XPUUQOCRSA-N 1 2 237.307 0.288 20 0 BCADLO COC(=O)c1cc(C[N@@H+]2CC=C[C@H]2CO)on1 ZINC000931704089 640327164 /nfs/dbraw/zinc/32/71/64/640327164.db2.gz MNRMTWRGLWALLN-QMMMGPOBSA-N 1 2 238.243 0.194 20 0 BCADLO COC(=O)c1cc(C[N@H+]2CC=C[C@H]2CO)on1 ZINC000931704089 640327168 /nfs/dbraw/zinc/32/71/68/640327168.db2.gz MNRMTWRGLWALLN-QMMMGPOBSA-N 1 2 238.243 0.194 20 0 BCADLO COC(=O)c1cc(C[N@@H+]2CC=C[C@@H]2CO)on1 ZINC000931704085 640328343 /nfs/dbraw/zinc/32/83/43/640328343.db2.gz MNRMTWRGLWALLN-MRVPVSSYSA-N 1 2 238.243 0.194 20 0 BCADLO COC(=O)c1cc(C[N@H+]2CC=C[C@@H]2CO)on1 ZINC000931704085 640328346 /nfs/dbraw/zinc/32/83/46/640328346.db2.gz MNRMTWRGLWALLN-MRVPVSSYSA-N 1 2 238.243 0.194 20 0 BCADLO CC[C@H](CO)[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000931771634 640364844 /nfs/dbraw/zinc/36/48/44/640364844.db2.gz HJLKKHIONMCIGQ-IVZWLZJFSA-N 1 2 217.309 0.935 20 0 BCADLO CC(C)(F)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913450444 640372768 /nfs/dbraw/zinc/37/27/68/640372768.db2.gz YNWGEPUKSMJYPT-VIFPVBQESA-N 1 2 240.282 0.631 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913546257 640388328 /nfs/dbraw/zinc/38/83/28/640388328.db2.gz LAYYDHATRGSATP-IJLUTSLNSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913546257 640388329 /nfs/dbraw/zinc/38/83/29/640388329.db2.gz LAYYDHATRGSATP-IJLUTSLNSA-N 1 2 240.347 0.558 20 0 BCADLO C[N@@H+]1CCN(C(=O)CSC2CC2)C[C@@H]1CO ZINC000913542760 640393058 /nfs/dbraw/zinc/39/30/58/640393058.db2.gz RETDCUJWZDCCHV-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO C[N@H+]1CCN(C(=O)CSC2CC2)C[C@@H]1CO ZINC000913542760 640393076 /nfs/dbraw/zinc/39/30/76/640393076.db2.gz RETDCUJWZDCCHV-SECBINFHSA-N 1 2 244.360 0.017 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913543878 640393521 /nfs/dbraw/zinc/39/35/21/640393521.db2.gz RWYYIMUAGKIYAL-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO Cc1cc[nH]c1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913543878 640393527 /nfs/dbraw/zinc/39/35/27/640393527.db2.gz RWYYIMUAGKIYAL-JTQLQIEISA-N 1 2 237.303 0.072 20 0 BCADLO CCC(C)(CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544710 640393621 /nfs/dbraw/zinc/39/36/21/640393621.db2.gz KNATYFCVQXWLKW-LLVKDONJSA-N 1 2 242.363 0.948 20 0 BCADLO CCC(C)(CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544710 640393626 /nfs/dbraw/zinc/39/36/26/640393626.db2.gz KNATYFCVQXWLKW-LLVKDONJSA-N 1 2 242.363 0.948 20 0 BCADLO CCCSCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552075 640396859 /nfs/dbraw/zinc/39/68/59/640396859.db2.gz FGOBESFCSCWANJ-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO CCCSCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552075 640396863 /nfs/dbraw/zinc/39/68/63/640396863.db2.gz FGOBESFCSCWANJ-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC000931940777 640400219 /nfs/dbraw/zinc/40/02/19/640400219.db2.gz ZQZXNJIIXSSOCN-HTRCEHHLSA-N 1 2 224.264 0.041 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC000931940777 640400223 /nfs/dbraw/zinc/40/02/23/640400223.db2.gz ZQZXNJIIXSSOCN-HTRCEHHLSA-N 1 2 224.264 0.041 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@@H+]([C@H]3CCOC3=O)C2)n1 ZINC000932137299 640437967 /nfs/dbraw/zinc/43/79/67/640437967.db2.gz ZGBSZVGDMGTNTI-PWSUYJOCSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@H+]([C@H]3CCOC3=O)C2)n1 ZINC000932137299 640437968 /nfs/dbraw/zinc/43/79/68/640437968.db2.gz ZGBSZVGDMGTNTI-PWSUYJOCSA-N 1 2 249.314 0.915 20 0 BCADLO c1cnc([C@@H]([NH2+]CC2OCCO2)C2CC2)nc1 ZINC000932357609 640498930 /nfs/dbraw/zinc/49/89/30/640498930.db2.gz PWIOTEOHJHCRHN-NSHDSACASA-N 1 2 235.287 0.890 20 0 BCADLO CN1CC[C@@H]([NH2+][C@@H](c2ncccn2)C2CC2)C1=O ZINC000932361158 640499134 /nfs/dbraw/zinc/49/91/34/640499134.db2.gz STMSYBRHUJETRR-GHMZBOCLSA-N 1 2 246.314 0.748 20 0 BCADLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(C)C ZINC000932366937 640501133 /nfs/dbraw/zinc/50/11/33/640501133.db2.gz KFZZWKIIBLCGQO-MWLCHTKSSA-N 1 2 248.330 0.994 20 0 BCADLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(C)C ZINC000932366936 640502177 /nfs/dbraw/zinc/50/21/77/640502177.db2.gz KFZZWKIIBLCGQO-KOLCDFICSA-N 1 2 248.330 0.994 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435675 640526831 /nfs/dbraw/zinc/52/68/31/640526831.db2.gz IZSWHBYTOGDUND-JTQLQIEISA-N 1 2 226.320 0.955 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435675 640526835 /nfs/dbraw/zinc/52/68/35/640526835.db2.gz IZSWHBYTOGDUND-JTQLQIEISA-N 1 2 226.320 0.955 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932434590 640527129 /nfs/dbraw/zinc/52/71/29/640527129.db2.gz IDYNHLYAJXZCHD-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932434590 640527133 /nfs/dbraw/zinc/52/71/33/640527133.db2.gz IDYNHLYAJXZCHD-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030036794 640528404 /nfs/dbraw/zinc/52/84/04/640528404.db2.gz LDDSYRCGDAZIFZ-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001030039607 640531470 /nfs/dbraw/zinc/53/14/70/640531470.db2.gz IPBQSFHMJMJJLA-MWLCHTKSSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C3CC3)C2)O1 ZINC001030040472 640533848 /nfs/dbraw/zinc/53/38/48/640533848.db2.gz SVRSXVIJVCHCHL-BXKDBHETSA-N 1 2 238.331 0.764 20 0 BCADLO CCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030040998 640535611 /nfs/dbraw/zinc/53/56/11/640535611.db2.gz CCVGREOGEOTXJS-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO O=C(NC1C[NH+](CCn2cccn2)C1)C1CCC1 ZINC001030042662 640536103 /nfs/dbraw/zinc/53/61/03/640536103.db2.gz ZSYAGAKXYGWGNI-UHFFFAOYSA-N 1 2 248.330 0.484 20 0 BCADLO O=C(CC1CC1)NC1C[NH+](CCn2cccn2)C1 ZINC001030044843 640541099 /nfs/dbraw/zinc/54/10/99/640541099.db2.gz FNQVUKZYAZTHHJ-UHFFFAOYSA-N 1 2 248.330 0.484 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030049735 640543101 /nfs/dbraw/zinc/54/31/01/640543101.db2.gz PMAZXNQEKMGTNZ-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)c1ccco1 ZINC001030054421 640550153 /nfs/dbraw/zinc/55/01/53/640550153.db2.gz FNDIJVCIHZRDKS-UHFFFAOYSA-N 1 2 224.260 0.076 20 0 BCADLO CCc1nc(C[NH2+][C@H]2COC[C@@H]2C)no1 ZINC000932495846 640557380 /nfs/dbraw/zinc/55/73/80/640557380.db2.gz AHFQGIQYIYILBY-YUMQZZPRSA-N 1 2 211.265 0.757 20 0 BCADLO COCCc1noc(C[NH2+][C@H]2COC[C@@H]2C)n1 ZINC000932502769 640561175 /nfs/dbraw/zinc/56/11/75/640561175.db2.gz WYJCGIHSIGBFDA-IUCAKERBSA-N 1 2 241.291 0.383 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030064753 640566324 /nfs/dbraw/zinc/56/63/24/640566324.db2.gz YLIHMAOXAHJJHB-SNVBAGLBSA-N 1 2 234.299 0.481 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1CCCCC1 ZINC001030064705 640566480 /nfs/dbraw/zinc/56/64/80/640566480.db2.gz GYFHHFSWXTZQGD-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001030064049 640567361 /nfs/dbraw/zinc/56/73/61/640567361.db2.gz UCAYPNBGRNLZDR-UHFFFAOYSA-N 1 2 220.276 0.301 20 0 BCADLO Cn1cc(C(=O)NC2C[NH+](CCCF)C2)cn1 ZINC001030089365 640584405 /nfs/dbraw/zinc/58/44/05/640584405.db2.gz HCCJUDNLWUDZQY-UHFFFAOYSA-N 1 2 240.282 0.194 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030113744 640605914 /nfs/dbraw/zinc/60/59/14/640605914.db2.gz VSFSRQZYLXVVHN-VIFPVBQESA-N 1 2 214.309 0.478 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)o2)C1 ZINC000932638363 640592920 /nfs/dbraw/zinc/59/29/20/640592920.db2.gz HWLHSFDRTYEVAM-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)o2)C1 ZINC000932638363 640592924 /nfs/dbraw/zinc/59/29/24/640592924.db2.gz HWLHSFDRTYEVAM-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030101326 640593382 /nfs/dbraw/zinc/59/33/82/640593382.db2.gz BLDYQKQWUIQTIE-SECBINFHSA-N 1 2 238.287 0.729 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nnc(C)o2)C1 ZINC000932638365 640594232 /nfs/dbraw/zinc/59/42/32/640594232.db2.gz HWLHSFDRTYEVAM-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nnc(C)o2)C1 ZINC000932638365 640594237 /nfs/dbraw/zinc/59/42/37/640594237.db2.gz HWLHSFDRTYEVAM-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)n1 ZINC001030114377 640603854 /nfs/dbraw/zinc/60/38/54/640603854.db2.gz CJDXBIIPOLMAKD-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO O=C(c1cc(=O)cc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000932826282 640613958 /nfs/dbraw/zinc/61/39/58/640613958.db2.gz JWAAZIAWDIMHBN-UHFFFAOYSA-N 1 2 244.254 0.269 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030135041 640623840 /nfs/dbraw/zinc/62/38/40/640623840.db2.gz PPEAKGVPEZXXDE-MRVPVSSYSA-N 1 2 239.275 0.124 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncoc2C)C1 ZINC001030138970 640625752 /nfs/dbraw/zinc/62/57/52/640625752.db2.gz GOZZTHSLQBMXLE-UHFFFAOYSA-N 1 2 209.249 0.417 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030159877 640643283 /nfs/dbraw/zinc/64/32/83/640643283.db2.gz VESOMEJUFQKAFO-QMMMGPOBSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030158768 640646105 /nfs/dbraw/zinc/64/61/05/640646105.db2.gz HCEJMXCBGQMGPU-MRVPVSSYSA-N 1 2 241.266 0.837 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000932969432 640656235 /nfs/dbraw/zinc/65/62/35/640656235.db2.gz GKGBXDBNBJRQIW-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000932969432 640656240 /nfs/dbraw/zinc/65/62/40/640656240.db2.gz GKGBXDBNBJRQIW-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC001030206158 640684195 /nfs/dbraw/zinc/68/41/95/640684195.db2.gz XVEVOEZLXJHGCL-SSDOTTSWSA-N 1 2 248.273 0.213 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030212441 640686264 /nfs/dbraw/zinc/68/62/64/640686264.db2.gz UAFIKFNIMRAFMC-SECBINFHSA-N 1 2 224.304 0.278 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CCCCO1 ZINC001030217655 640688380 /nfs/dbraw/zinc/68/83/80/640688380.db2.gz GVKRBBXZEJPPJS-LLVKDONJSA-N 1 2 244.310 0.716 20 0 BCADLO CCn1cnc2c1CC[N@H+](CCC(=O)OC)C2 ZINC000933262136 640691792 /nfs/dbraw/zinc/69/17/92/640691792.db2.gz BDNJGRDFWRKMLO-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CCn1cnc2c1CC[N@@H+](CCC(=O)OC)C2 ZINC000933262136 640691793 /nfs/dbraw/zinc/69/17/93/640691793.db2.gz BDNJGRDFWRKMLO-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CCn1c[nH+]c2c1CCN(CCC(=O)OC)C2 ZINC000933262136 640691796 /nfs/dbraw/zinc/69/17/96/640691796.db2.gz BDNJGRDFWRKMLO-UHFFFAOYSA-N 1 2 237.303 0.824 20 0 BCADLO CC[C@@](C)(O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933299756 640702154 /nfs/dbraw/zinc/70/21/54/640702154.db2.gz WJIDLCZGMBJEFE-ZYHUDNBSSA-N 1 2 239.319 0.796 20 0 BCADLO CC[NH+]1CC(NC(=O)c2[nH]ccc2C)C1 ZINC001030268241 640719933 /nfs/dbraw/zinc/71/99/33/640719933.db2.gz QJLUHRAVIVYUSS-UHFFFAOYSA-N 1 2 207.277 0.757 20 0 BCADLO Cc1cc[nH]c1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030267708 640721059 /nfs/dbraw/zinc/72/10/59/640721059.db2.gz IXNXDYFTMNBSRU-SECBINFHSA-N 1 2 237.303 0.118 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030283567 640726752 /nfs/dbraw/zinc/72/67/52/640726752.db2.gz ACNIZNFBTQZGMP-SSDOTTSWSA-N 1 2 204.220 0.462 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030285830 640729781 /nfs/dbraw/zinc/72/97/81/640729781.db2.gz JIFBUGHKAZTYAJ-IONNQARKSA-N 1 2 248.273 0.477 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287270 640730940 /nfs/dbraw/zinc/73/09/40/640730940.db2.gz GSWBGPQANVWIRW-MRVPVSSYSA-N 1 2 240.282 0.572 20 0 BCADLO CC(=O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933615111 640735423 /nfs/dbraw/zinc/73/54/23/640735423.db2.gz HZLGJXTTYTYNTA-UHFFFAOYSA-N 1 2 240.303 0.882 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC[C@@H](F)C1 ZINC001030298930 640738784 /nfs/dbraw/zinc/73/87/84/640738784.db2.gz RHQQAVCBRSLPKK-NXEZZACHSA-N 1 2 244.310 0.307 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001030314927 640749460 /nfs/dbraw/zinc/74/94/60/640749460.db2.gz BQGSRVDTCBOMFN-LLVKDONJSA-N 1 2 248.330 0.650 20 0 BCADLO C[N@@H+]1C[C@@H]2CN(Cc3cnn[nH]3)C[C@]2(C)C1 ZINC000933732992 640758315 /nfs/dbraw/zinc/75/83/15/640758315.db2.gz XWVLMPBOQQZDLK-KOLCDFICSA-N 1 2 221.308 0.188 20 0 BCADLO C[N@H+]1C[C@@H]2CN(Cc3cnn[nH]3)C[C@]2(C)C1 ZINC000933732992 640758321 /nfs/dbraw/zinc/75/83/21/640758321.db2.gz XWVLMPBOQQZDLK-KOLCDFICSA-N 1 2 221.308 0.188 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCC(=O)NC)[nH]1 ZINC000933864201 640775629 /nfs/dbraw/zinc/77/56/29/640775629.db2.gz PLUJZBHNGHMQGX-UHFFFAOYSA-N 1 2 239.323 0.325 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCC(=O)NC)[nH]1 ZINC000933864201 640775632 /nfs/dbraw/zinc/77/56/32/640775632.db2.gz PLUJZBHNGHMQGX-UHFFFAOYSA-N 1 2 239.323 0.325 20 0 BCADLO CC1(C(=O)NC2C[NH+](CCCF)C2)CC1 ZINC001030352355 640781451 /nfs/dbraw/zinc/78/14/51/640781451.db2.gz LLDUINUCDGWSPG-UHFFFAOYSA-N 1 2 214.284 0.947 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030355175 640786677 /nfs/dbraw/zinc/78/66/77/640786677.db2.gz WGVCLOADRLNRHX-VIFPVBQESA-N 1 2 237.303 0.464 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1(n2cccn2)CC1 ZINC000933990504 640799175 /nfs/dbraw/zinc/79/91/75/640799175.db2.gz LNRYYSYDYQPJPR-UHFFFAOYSA-N 1 2 245.286 0.720 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001030372729 640801789 /nfs/dbraw/zinc/80/17/89/640801789.db2.gz RZLSHDKPJYDJSQ-UHFFFAOYSA-N 1 2 244.245 0.712 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1ccns1 ZINC001030386860 640813104 /nfs/dbraw/zinc/81/31/04/640813104.db2.gz WIDNDLYSVMIGQS-UHFFFAOYSA-N 1 2 237.328 0.967 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001030405424 640826773 /nfs/dbraw/zinc/82/67/73/640826773.db2.gz VTHVAGHFLHXJSV-UHFFFAOYSA-N 1 2 248.330 0.731 20 0 BCADLO CCC[NH+]1CC(NC(=O)C2(F)CCOCC2)C1 ZINC001030412765 640838649 /nfs/dbraw/zinc/83/86/49/640838649.db2.gz WDJWQSNJMHEVBB-UHFFFAOYSA-N 1 2 244.310 0.716 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc3ccnn32)C1 ZINC001030427733 640853952 /nfs/dbraw/zinc/85/39/52/640853952.db2.gz RYCQHYOCPMSPSY-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)C1CCC1 ZINC001030506203 640889175 /nfs/dbraw/zinc/88/91/75/640889175.db2.gz FCXOLGURONXJLT-VHSXEESVSA-N 1 2 240.347 0.604 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001030527613 640898610 /nfs/dbraw/zinc/89/86/10/640898610.db2.gz NOZUOAJZLXIIRW-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527613 640898613 /nfs/dbraw/zinc/89/86/13/640898613.db2.gz NOZUOAJZLXIIRW-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CNc1cc(NCC(=O)N2CCCCC2)nc[nH+]1 ZINC000228879112 640902600 /nfs/dbraw/zinc/90/26/00/640902600.db2.gz WMDQFSAXWWWNGK-UHFFFAOYSA-N 1 2 249.318 0.943 20 0 BCADLO CNc1cc(NCC(=O)N2CCCCC2)[nH+]cn1 ZINC000228879112 640902607 /nfs/dbraw/zinc/90/26/07/640902607.db2.gz WMDQFSAXWWWNGK-UHFFFAOYSA-N 1 2 249.318 0.943 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](OC)C1 ZINC000170817699 640927455 /nfs/dbraw/zinc/92/74/55/640927455.db2.gz LDOHLTSQMHILON-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](OC)C1 ZINC000170817699 640927459 /nfs/dbraw/zinc/92/74/59/640927459.db2.gz LDOHLTSQMHILON-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn3cccnc3n2)C1 ZINC001030606695 640954838 /nfs/dbraw/zinc/95/48/38/640954838.db2.gz PPQIBMDYUBWEHL-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CCS1 ZINC000171696117 641001876 /nfs/dbraw/zinc/00/18/76/641001876.db2.gz CSCUIVRSHMQOFB-HTQZYQBOSA-N 1 2 201.291 0.739 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CCS1 ZINC000171696117 641001877 /nfs/dbraw/zinc/00/18/77/641001877.db2.gz CSCUIVRSHMQOFB-HTQZYQBOSA-N 1 2 201.291 0.739 20 0 BCADLO CNc1cc(N2C[C@H](CO)O[C@@H](C)C2)nc[nH+]1 ZINC000230073547 641012598 /nfs/dbraw/zinc/01/25/98/641012598.db2.gz QFUBPOYYFRUFSV-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](CO)O[C@@H](C)C2)[nH+]cn1 ZINC000230073547 641012606 /nfs/dbraw/zinc/01/26/06/641012606.db2.gz QFUBPOYYFRUFSV-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CC(=O)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000062356258 641042226 /nfs/dbraw/zinc/04/22/26/641042226.db2.gz AHDGTDVACYRBQM-CYBMUJFWSA-N 1 2 249.314 0.279 20 0 BCADLO CCCNc1cc(N(C)CCO)nc[nH+]1 ZINC000087808616 641051673 /nfs/dbraw/zinc/05/16/73/641051673.db2.gz BVWHYVDKSFYGRQ-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO CCCNc1cc(N(C)CCO)[nH+]cn1 ZINC000087808616 641051675 /nfs/dbraw/zinc/05/16/75/641051675.db2.gz BVWHYVDKSFYGRQ-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO CNc1cc(N2CCCOCC2)nc[nH+]1 ZINC000087828865 641058327 /nfs/dbraw/zinc/05/83/27/641058327.db2.gz YQNXDEJUHQGOIV-UHFFFAOYSA-N 1 2 208.265 0.745 20 0 BCADLO CNc1cc(N2CCCOCC2)[nH+]cn1 ZINC000087828865 641058333 /nfs/dbraw/zinc/05/83/33/641058333.db2.gz YQNXDEJUHQGOIV-UHFFFAOYSA-N 1 2 208.265 0.745 20 0 BCADLO CCCNc1cc(NC[C@H](O)CO)nc[nH+]1 ZINC000087837922 641065444 /nfs/dbraw/zinc/06/54/44/641065444.db2.gz RSPNJCSYUAHEPH-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO CCCNc1cc(NC[C@H](O)CO)[nH+]cn1 ZINC000087837922 641065446 /nfs/dbraw/zinc/06/54/46/641065446.db2.gz RSPNJCSYUAHEPH-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cn(C)nn1 ZINC000934114043 641076695 /nfs/dbraw/zinc/07/66/95/641076695.db2.gz FENFKFFHWRMXMQ-UWVGGRQHSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cn(C)nn1 ZINC000934114043 641076698 /nfs/dbraw/zinc/07/66/98/641076698.db2.gz FENFKFFHWRMXMQ-UWVGGRQHSA-N 1 2 210.281 0.424 20 0 BCADLO CCN1OC[C@H]([N@H+](C)[C@H]2CC[C@H]2OC)C1=O ZINC000934114361 641080296 /nfs/dbraw/zinc/08/02/96/641080296.db2.gz SYUIYEBDSTVBKI-LPEHRKFASA-N 1 2 228.292 0.258 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)[C@H]2CC[C@H]2OC)C1=O ZINC000934114361 641080301 /nfs/dbraw/zinc/08/03/01/641080301.db2.gz SYUIYEBDSTVBKI-LPEHRKFASA-N 1 2 228.292 0.258 20 0 BCADLO COc1cnc([C@@H]2CCC[N@@H+]2CCO)[nH]c1=O ZINC000934274995 641114969 /nfs/dbraw/zinc/11/49/69/641114969.db2.gz XDXUGHBKWTTZAE-QMMMGPOBSA-N 1 2 239.275 0.320 20 0 BCADLO COc1cnc([C@@H]2CCC[N@H+]2CCO)[nH]c1=O ZINC000934274995 641114971 /nfs/dbraw/zinc/11/49/71/641114971.db2.gz XDXUGHBKWTTZAE-QMMMGPOBSA-N 1 2 239.275 0.320 20 0 BCADLO COc1cnc([C@H]2CCC[N@@H+]2CCO)[nH]c1=O ZINC000934274992 641115418 /nfs/dbraw/zinc/11/54/18/641115418.db2.gz XDXUGHBKWTTZAE-MRVPVSSYSA-N 1 2 239.275 0.320 20 0 BCADLO COc1cnc([C@H]2CCC[N@H+]2CCO)[nH]c1=O ZINC000934274992 641115423 /nfs/dbraw/zinc/11/54/23/641115423.db2.gz XDXUGHBKWTTZAE-MRVPVSSYSA-N 1 2 239.275 0.320 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccn3ccnc3c2)C1 ZINC001030671493 641140901 /nfs/dbraw/zinc/14/09/01/641140901.db2.gz WDVJOFRUMTYBGL-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CN(C(=O)C[N@@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000160639907 641159149 /nfs/dbraw/zinc/15/91/49/641159149.db2.gz QWOHSBVKQHSHNU-UHFFFAOYSA-N 1 2 240.303 0.056 20 0 BCADLO CN(C(=O)C[N@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000160639907 641159165 /nfs/dbraw/zinc/15/91/65/641159165.db2.gz QWOHSBVKQHSHNU-UHFFFAOYSA-N 1 2 240.303 0.056 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160658629 641175611 /nfs/dbraw/zinc/17/56/11/641175611.db2.gz NESFLSCBDIANNN-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160658629 641175615 /nfs/dbraw/zinc/17/56/15/641175615.db2.gz NESFLSCBDIANNN-JTQLQIEISA-N 1 2 242.319 0.350 20 0 BCADLO CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001021747796 641186026 /nfs/dbraw/zinc/18/60/26/641186026.db2.gz CFNXMDKSJKSKBQ-DRTBCBBWSA-N 1 2 238.291 0.696 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934571253 641201308 /nfs/dbraw/zinc/20/13/08/641201308.db2.gz QMVNUWXFHXBIRD-IUCAKERBSA-N 1 2 219.256 0.344 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934571253 641201312 /nfs/dbraw/zinc/20/13/12/641201312.db2.gz QMVNUWXFHXBIRD-IUCAKERBSA-N 1 2 219.256 0.344 20 0 BCADLO O[C@H]1CC[N@H+](CCOCC(F)F)C[C@H]1F ZINC000934572408 641204589 /nfs/dbraw/zinc/20/45/89/641204589.db2.gz LBCMQKSODIZSHS-SFYZADRCSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1F ZINC000934572408 641204592 /nfs/dbraw/zinc/20/45/92/641204592.db2.gz LBCMQKSODIZSHS-SFYZADRCSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccncc2)C[C@H]1F ZINC000934576604 641208447 /nfs/dbraw/zinc/20/84/47/641208447.db2.gz RMEIWBXMRSWCSP-GHMZBOCLSA-N 1 2 210.252 0.986 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1F ZINC000934576604 641208452 /nfs/dbraw/zinc/20/84/52/641208452.db2.gz RMEIWBXMRSWCSP-GHMZBOCLSA-N 1 2 210.252 0.986 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CO ZINC000913558470 641222345 /nfs/dbraw/zinc/22/23/45/641222345.db2.gz PFUKARQNXSTYBC-NSHDSACASA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CO ZINC000913558470 641222349 /nfs/dbraw/zinc/22/23/49/641222349.db2.gz PFUKARQNXSTYBC-NSHDSACASA-N 1 2 238.331 0.312 20 0 BCADLO CSCC(C)(C)[NH2+]Cc1nnn(C)n1 ZINC000934666147 641223044 /nfs/dbraw/zinc/22/30/44/641223044.db2.gz CZDDYIRPELIONV-UHFFFAOYSA-N 1 2 215.326 0.441 20 0 BCADLO CC(C)OC(=O)C(C)(C)[NH2+]CCCO ZINC000934817205 641279168 /nfs/dbraw/zinc/27/91/68/641279168.db2.gz STOLNWVURUTDGQ-UHFFFAOYSA-N 1 2 203.282 0.689 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030707916 641311520 /nfs/dbraw/zinc/31/15/20/641311520.db2.gz GEFLAMIFEQDQAX-ZWNOBZJWSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@]12C[C@H]1CCC2 ZINC001030708554 641313715 /nfs/dbraw/zinc/31/37/15/641313715.db2.gz DZBIMHAWJUYVKM-ZWNOBZJWSA-N 1 2 238.331 0.359 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCO[C@H]2C)C1 ZINC001030731588 641327831 /nfs/dbraw/zinc/32/78/31/641327831.db2.gz DDKKKIGKLQYFRR-JOYOIKCWSA-N 1 2 226.320 0.622 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1csnn1 ZINC001030755810 641336809 /nfs/dbraw/zinc/33/68/09/641336809.db2.gz XOHPRCGVAGXDNT-UHFFFAOYSA-N 1 2 238.316 0.362 20 0 BCADLO CC1(C(=O)NC2C[NH+](CCCO)C2)CCC1 ZINC001030800428 641358253 /nfs/dbraw/zinc/35/82/53/641358253.db2.gz WYGNTDNDJUKPQM-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030803803 641360157 /nfs/dbraw/zinc/36/01/57/641360157.db2.gz XNYPMQRAICDWMS-ZWNOBZJWSA-N 1 2 238.331 0.524 20 0 BCADLO C[C@H]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001030808930 641362506 /nfs/dbraw/zinc/36/25/06/641362506.db2.gz CASYZPCDLUSFMP-QWRGUYRKSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001030861481 641389247 /nfs/dbraw/zinc/38/92/47/641389247.db2.gz WWDDHPUNOBJPLD-SECBINFHSA-N 1 2 249.318 0.045 20 0 BCADLO C[C@H]1CCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030872153 641393376 /nfs/dbraw/zinc/39/33/76/641393376.db2.gz LKCWBNVOWLPEJI-JQWIXIFHSA-N 1 2 240.347 0.605 20 0 BCADLO C[C@H]1CCCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030872150 641393642 /nfs/dbraw/zinc/39/36/42/641393642.db2.gz LKCWBNVOWLPEJI-CMPLNLGQSA-N 1 2 240.347 0.605 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929697063 641402622 /nfs/dbraw/zinc/40/26/22/641402622.db2.gz QGTDRQSDUKCIQD-ZMLRMANQSA-N 1 2 238.287 0.910 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929697063 641402626 /nfs/dbraw/zinc/40/26/26/641402626.db2.gz QGTDRQSDUKCIQD-ZMLRMANQSA-N 1 2 238.287 0.910 20 0 BCADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1ccon1 ZINC000929697776 641405543 /nfs/dbraw/zinc/40/55/43/641405543.db2.gz VARGSCCEFGCKQV-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1ccon1 ZINC000929697776 641405549 /nfs/dbraw/zinc/40/55/49/641405549.db2.gz VARGSCCEFGCKQV-LLVKDONJSA-N 1 2 226.276 0.912 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(C)CC=CC2)C1 ZINC001030900592 641411199 /nfs/dbraw/zinc/41/11/99/641411199.db2.gz DNVFXNVQDPFVBT-SNVBAGLBSA-N 1 2 238.331 0.524 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935485768 641417292 /nfs/dbraw/zinc/41/72/92/641417292.db2.gz DNEHMKLZINNRGM-SKDRFNHKSA-N 1 2 237.303 0.475 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935486854 641417853 /nfs/dbraw/zinc/41/78/53/641417853.db2.gz SQSFUWJFOOFFMM-UWVGGRQHSA-N 1 2 237.303 0.475 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001030918837 641421834 /nfs/dbraw/zinc/42/18/34/641421834.db2.gz QDFUDXTVZCHPIE-GXSJLCMTSA-N 1 2 226.320 0.479 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001030922869 641424170 /nfs/dbraw/zinc/42/41/70/641424170.db2.gz PHXYSYNYHUDFCT-MWLCHTKSSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829279511 641426193 /nfs/dbraw/zinc/42/61/93/641426193.db2.gz KSCKLQZSFPSYSY-NSHDSACASA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC3(CC3)C2)C1 ZINC001030930505 641443724 /nfs/dbraw/zinc/44/37/24/641443724.db2.gz BWWFZQLEXBIJQW-VIFPVBQESA-N 1 2 238.331 0.358 20 0 BCADLO CC[NH+]1CC(NC(=O)C2CC3(CC3)C2)C1 ZINC001030932300 641456033 /nfs/dbraw/zinc/45/60/33/641456033.db2.gz VDMNJGWKBRWMRV-UHFFFAOYSA-N 1 2 208.305 0.997 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCn2nccc21 ZINC000913781708 641472157 /nfs/dbraw/zinc/47/21/57/641472157.db2.gz XHCSFTIYTXKELV-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccn(CCF)n1 ZINC000913768857 641472227 /nfs/dbraw/zinc/47/22/27/641472227.db2.gz PUUMLPYWNQYOMM-UHFFFAOYSA-N 1 2 237.238 0.757 20 0 BCADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc2c[nH+]ccc2[nH]1 ZINC000935761471 641477541 /nfs/dbraw/zinc/47/75/41/641477541.db2.gz SCLBFDBVSYHMPN-GDGBQDQQSA-N 1 2 243.266 0.938 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006711 641584002 /nfs/dbraw/zinc/58/40/02/641584002.db2.gz VWFOVHRKLDVHJV-MWLCHTKSSA-N 1 2 238.331 0.622 20 0 BCADLO CCn1cc(C(=O)NC2C[NH+](CC)C2)c(C)n1 ZINC001031031440 641601827 /nfs/dbraw/zinc/60/18/27/641601827.db2.gz WEVQVMYGJBOXCJ-UHFFFAOYSA-N 1 2 236.319 0.645 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001031036719 641604705 /nfs/dbraw/zinc/60/47/05/641604705.db2.gz MTWCMTIANJZNMU-UHFFFAOYSA-N 1 2 236.319 0.898 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ncc[nH]1 ZINC000493706362 641635568 /nfs/dbraw/zinc/63/55/68/641635568.db2.gz LXMQNCWDGXUKDW-ZMWSMAPVSA-N 1 2 245.286 0.824 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001031044254 641639524 /nfs/dbraw/zinc/63/95/24/641639524.db2.gz RXUMSCXPLIXFOY-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031043858 641640592 /nfs/dbraw/zinc/64/05/92/641640592.db2.gz KHNWPJPLBFOLBD-ZJUUUORDSA-N 1 2 226.320 0.215 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031043855 641640664 /nfs/dbraw/zinc/64/06/64/641640664.db2.gz KHNWPJPLBFOLBD-NXEZZACHSA-N 1 2 226.320 0.215 20 0 BCADLO CC1(C)OCC([NH2+]Cc2ccon2)CO1 ZINC000232803374 641676560 /nfs/dbraw/zinc/67/65/60/641676560.db2.gz HGBGOTXBMZBWRZ-UHFFFAOYSA-N 1 2 212.249 0.916 20 0 BCADLO NC(=O)c1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000048404549 641687494 /nfs/dbraw/zinc/68/74/94/641687494.db2.gz PHOSNIXKSOTAKT-UHFFFAOYSA-N 1 2 244.254 0.621 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C[C@@H]1C ZINC000159950120 641706785 /nfs/dbraw/zinc/70/67/85/641706785.db2.gz NBDQHFHMIYMTGV-ZJUUUORDSA-N 1 2 224.308 0.517 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C[C@@H]1C ZINC000159950120 641706792 /nfs/dbraw/zinc/70/67/92/641706792.db2.gz NBDQHFHMIYMTGV-ZJUUUORDSA-N 1 2 224.308 0.517 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc3ncccn3n2)C1 ZINC001031128591 641724328 /nfs/dbraw/zinc/72/43/28/641724328.db2.gz DJPXMFQNIOZGJV-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)ccn1 ZINC001031128448 641724922 /nfs/dbraw/zinc/72/49/22/641724922.db2.gz LBSHDAJZMSLLEE-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000993071192 641726697 /nfs/dbraw/zinc/72/66/97/641726697.db2.gz LVNAMRVDRAQVNZ-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000993071192 641726701 /nfs/dbraw/zinc/72/67/01/641726701.db2.gz LVNAMRVDRAQVNZ-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CCn1ncc(C(=O)NC2C[NH+](CC)C2)c1C ZINC001031136513 641729660 /nfs/dbraw/zinc/72/96/60/641729660.db2.gz YCRAXADENJBRSL-UHFFFAOYSA-N 1 2 236.319 0.645 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(OC)o2)C1 ZINC001031138138 641730248 /nfs/dbraw/zinc/73/02/48/641730248.db2.gz ICGMYPYJRSTCLK-UHFFFAOYSA-N 1 2 224.260 0.722 20 0 BCADLO C[C@@]1(C(=O)NC2C[NH+](CCCF)C2)CCOC1 ZINC001031147892 641736906 /nfs/dbraw/zinc/73/69/06/641736906.db2.gz DGGCWYVBHLKWJN-GFCCVEGCSA-N 1 2 244.310 0.573 20 0 BCADLO CCN(C(C)=O)C1CN(Cc2c[nH+]cn2C)C1 ZINC000949544241 641842049 /nfs/dbraw/zinc/84/20/49/641842049.db2.gz CQQHQHBBZFAHDF-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(F)CC1 ZINC000915717616 641854713 /nfs/dbraw/zinc/85/47/13/641854713.db2.gz VQDRHYSIMOAZNE-UHFFFAOYSA-N 1 2 247.295 0.342 20 0 BCADLO CCN(C(=O)c1cc(C)n[nH]1)C1C[NH+](CC)C1 ZINC000949737628 641857343 /nfs/dbraw/zinc/85/73/43/641857343.db2.gz RHZWQGBAOFUMOP-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO CCN(C(=O)c1cc(C)[nH]n1)C1C[NH+](CC)C1 ZINC000949737628 641857345 /nfs/dbraw/zinc/85/73/45/641857345.db2.gz RHZWQGBAOFUMOP-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO CCN(C(=O)c1cnsn1)C1C[NH+](CC)C1 ZINC000949727124 641857606 /nfs/dbraw/zinc/85/76/06/641857606.db2.gz UMGGMFAWGPIYBJ-UHFFFAOYSA-N 1 2 240.332 0.704 20 0 BCADLO O=C([C@@H]1CC[C@@H](F)C1)N1CC[NH+](CCO)CC1 ZINC000949887919 641871816 /nfs/dbraw/zinc/87/18/16/641871816.db2.gz CBDOMLRNBUHJHX-GHMZBOCLSA-N 1 2 244.310 0.261 20 0 BCADLO Cc1cc(C)cc(C(=O)NC2C[NH+](CCO)C2)c1 ZINC001031307794 641884477 /nfs/dbraw/zinc/88/44/77/641884477.db2.gz BPQMYSHMLGHHCC-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190977830 641896445 /nfs/dbraw/zinc/89/64/45/641896445.db2.gz YMIYHBIRGVJUCC-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190977830 641896450 /nfs/dbraw/zinc/89/64/50/641896450.db2.gz YMIYHBIRGVJUCC-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO O=C1O[C@H](C[NH+]2CCOCC2)CC12CCC2 ZINC000191870754 641948074 /nfs/dbraw/zinc/94/80/74/641948074.db2.gz ITYSAOZCXUDDST-JTQLQIEISA-N 1 2 225.288 0.804 20 0 BCADLO O=C1O[C@@H](C[NH+]2CCOCC2)CC12CCC2 ZINC000191870738 641949711 /nfs/dbraw/zinc/94/97/11/641949711.db2.gz ITYSAOZCXUDDST-SNVBAGLBSA-N 1 2 225.288 0.804 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CCC1=O ZINC000925430161 641965385 /nfs/dbraw/zinc/96/53/85/641965385.db2.gz OQFBOCUBCLKPDM-NXEZZACHSA-N 1 2 239.319 0.311 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCC1=O ZINC000925430161 641965387 /nfs/dbraw/zinc/96/53/87/641965387.db2.gz OQFBOCUBCLKPDM-NXEZZACHSA-N 1 2 239.319 0.311 20 0 BCADLO Cc1ccccc1CC(=O)NC1C[NH+](CCO)C1 ZINC001031371154 642029472 /nfs/dbraw/zinc/02/94/72/642029472.db2.gz RQOZPTLHJPZKCV-UHFFFAOYSA-N 1 2 248.326 0.330 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000923831838 642063682 /nfs/dbraw/zinc/06/36/82/642063682.db2.gz QDGHIWDEIQPDIE-SCZZXKLOSA-N 1 2 237.303 0.347 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncc3n2CCCC3)C1 ZINC001031411795 642103596 /nfs/dbraw/zinc/10/35/96/642103596.db2.gz LPEFDZIXVMXDKQ-UHFFFAOYSA-N 1 2 248.330 0.653 20 0 BCADLO CC(C)OC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000918283404 642182206 /nfs/dbraw/zinc/18/22/06/642182206.db2.gz HGXWKJZWEJYTMK-UHFFFAOYSA-N 1 2 242.319 0.984 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001031495726 642225687 /nfs/dbraw/zinc/22/56/87/642225687.db2.gz LZDLRGFAFLXANK-JTQLQIEISA-N 1 2 240.347 0.869 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031503078 642236956 /nfs/dbraw/zinc/23/69/56/642236956.db2.gz VJEPNHJHOBYYOB-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO C[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930050726 642289372 /nfs/dbraw/zinc/28/93/72/642289372.db2.gz WIPDLKMENGRGRJ-ZETCQYMHSA-N 1 2 219.244 0.674 20 0 BCADLO Cc1noc(C(C)(C)C[NH+]2CCOCC2)n1 ZINC000923761143 642306700 /nfs/dbraw/zinc/30/67/00/642306700.db2.gz PGZAFVCXRIVQIA-UHFFFAOYSA-N 1 2 225.292 0.988 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031566991 642315619 /nfs/dbraw/zinc/31/56/19/642315619.db2.gz WXRSCIPWXPEECV-WDEREUQCSA-N 1 2 244.310 0.429 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031566985 642315842 /nfs/dbraw/zinc/31/58/42/642315842.db2.gz WXRSCIPWXPEECV-GHMZBOCLSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCOC1 ZINC001031571743 642324973 /nfs/dbraw/zinc/32/49/73/642324973.db2.gz WUTSQBWTVXIOBH-JTQLQIEISA-N 1 2 230.283 0.040 20 0 BCADLO C=CC[N@@H+](C)CN1C[C@@H](C(=O)OC)CC1=O ZINC000154969903 642335383 /nfs/dbraw/zinc/33/53/83/642335383.db2.gz QMHHMJDEASXBAN-VIFPVBQESA-N 1 2 226.276 0.083 20 0 BCADLO C=CC[N@H+](C)CN1C[C@@H](C(=O)OC)CC1=O ZINC000154969903 642335391 /nfs/dbraw/zinc/33/53/91/642335391.db2.gz QMHHMJDEASXBAN-VIFPVBQESA-N 1 2 226.276 0.083 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cscn1 ZINC001031581389 642335612 /nfs/dbraw/zinc/33/56/12/642335612.db2.gz VAVUTTAEJKENNN-UHFFFAOYSA-N 1 2 243.307 0.774 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)C1CC=CC1 ZINC001031590321 642344713 /nfs/dbraw/zinc/34/47/13/642344713.db2.gz CFHLJERDPRKRTN-UHFFFAOYSA-N 1 2 226.295 0.970 20 0 BCADLO Cc1ncoc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031599003 642359694 /nfs/dbraw/zinc/35/96/94/642359694.db2.gz VEKBAHWRGIKFIS-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@H+]1CCN(C#N)CC ZINC000933217845 642399160 /nfs/dbraw/zinc/39/91/60/642399160.db2.gz NQIZUNDIKRMTIJ-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CCN(C#N)CC ZINC000933217845 642399164 /nfs/dbraw/zinc/39/91/64/642399164.db2.gz NQIZUNDIKRMTIJ-LLVKDONJSA-N 1 2 238.335 0.390 20 0 BCADLO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CC(N)=O ZINC000933248354 642415148 /nfs/dbraw/zinc/41/51/48/642415148.db2.gz UFIIJFBZDMUPMP-SNVBAGLBSA-N 1 2 213.325 0.134 20 0 BCADLO CC(C)C[C@@H]1CN(C)CC[N@H+]1CC(N)=O ZINC000933248354 642415154 /nfs/dbraw/zinc/41/51/54/642415154.db2.gz UFIIJFBZDMUPMP-SNVBAGLBSA-N 1 2 213.325 0.134 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H]1CCN(C)C1=O)C2 ZINC000933260094 642428201 /nfs/dbraw/zinc/42/82/01/642428201.db2.gz XSPAGCCBASLFAT-GFCCVEGCSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccoc1 ZINC000092042390 642433154 /nfs/dbraw/zinc/43/31/54/642433154.db2.gz IZNNKZNZXRQTJM-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccoc1 ZINC000092042390 642433160 /nfs/dbraw/zinc/43/31/60/642433160.db2.gz IZNNKZNZXRQTJM-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000921412730 642614409 /nfs/dbraw/zinc/61/44/09/642614409.db2.gz UMJBPCCFDZTNKP-QMMMGPOBSA-N 1 2 230.289 0.262 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000921412730 642614411 /nfs/dbraw/zinc/61/44/11/642614411.db2.gz UMJBPCCFDZTNKP-QMMMGPOBSA-N 1 2 230.289 0.262 20 0 BCADLO CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960341516 642660981 /nfs/dbraw/zinc/66/09/81/642660981.db2.gz DMFNGEXKWKQFMW-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC000960341516 642660987 /nfs/dbraw/zinc/66/09/87/642660987.db2.gz DMFNGEXKWKQFMW-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000965976876 642776790 /nfs/dbraw/zinc/77/67/90/642776790.db2.gz SNAZCEIWASOQMF-MRVPVSSYSA-N 1 2 226.305 0.249 20 0 BCADLO COC1CC(C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031755536 642808327 /nfs/dbraw/zinc/80/83/27/642808327.db2.gz KLYYALPFKQOWJO-UHFFFAOYSA-N 1 2 244.310 0.429 20 0 BCADLO c1n[nH]c2c1[C@H]([NH2+]C[C@H]1COCCO1)CCC2 ZINC000353409237 642824803 /nfs/dbraw/zinc/82/48/03/642824803.db2.gz VWWKHFPURSAPPQ-GXSJLCMTSA-N 1 2 237.303 0.792 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cn[nH]c1 ZINC001006823907 642825896 /nfs/dbraw/zinc/82/58/96/642825896.db2.gz SAPDQXZZPAUYBY-JTQLQIEISA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cn[nH]c1 ZINC001006823907 642825898 /nfs/dbraw/zinc/82/58/98/642825898.db2.gz SAPDQXZZPAUYBY-JTQLQIEISA-N 1 2 240.282 0.573 20 0 BCADLO CCn1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)n1 ZINC001009803836 642836760 /nfs/dbraw/zinc/83/67/60/642836760.db2.gz PXPLSYGRFAKMIA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)n1 ZINC001009803836 642836767 /nfs/dbraw/zinc/83/67/67/642836767.db2.gz PXPLSYGRFAKMIA-NSHDSACASA-N 1 2 236.319 0.613 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](CCF)C2)CO1 ZINC001031787647 642848537 /nfs/dbraw/zinc/84/85/37/642848537.db2.gz FESVAVPXXJTBBI-MWLCHTKSSA-N 1 2 244.310 0.429 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCF)C2)CO1 ZINC001031787645 642849182 /nfs/dbraw/zinc/84/91/82/642849182.db2.gz FESVAVPXXJTBBI-GXSJLCMTSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cnccn1 ZINC001009973301 642850359 /nfs/dbraw/zinc/85/03/59/642850359.db2.gz ZJYWKLDWBJADSV-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cnccn1 ZINC001009973301 642850360 /nfs/dbraw/zinc/85/03/60/642850360.db2.gz ZJYWKLDWBJADSV-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccn[nH]1 ZINC001010280993 642858061 /nfs/dbraw/zinc/85/80/61/642858061.db2.gz TWRHFXRIQSWBSY-QMMMGPOBSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccn[nH]1 ZINC001010280993 642858064 /nfs/dbraw/zinc/85/80/64/642858064.db2.gz TWRHFXRIQSWBSY-QMMMGPOBSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ncc[nH]1 ZINC001014377172 642889624 /nfs/dbraw/zinc/88/96/24/642889624.db2.gz BPZDIDOMYYKVND-MRVPVSSYSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ncc[nH]1 ZINC001014377172 642889628 /nfs/dbraw/zinc/88/96/28/642889628.db2.gz BPZDIDOMYYKVND-MRVPVSSYSA-N 1 2 226.255 0.183 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031860785 642899205 /nfs/dbraw/zinc/89/92/05/642899205.db2.gz WBQCETWCOZPQRT-MWLCHTKSSA-N 1 2 244.310 0.429 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015727353 642926641 /nfs/dbraw/zinc/92/66/41/642926641.db2.gz QVRPXBKIZVGVMF-VWYCJHECSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015727353 642926646 /nfs/dbraw/zinc/92/66/46/642926646.db2.gz QVRPXBKIZVGVMF-VWYCJHECSA-N 1 2 244.310 0.571 20 0 BCADLO COCCOCCOCCn1cc[nH+]c1 ZINC000113976612 642932288 /nfs/dbraw/zinc/93/22/88/642932288.db2.gz SRQQLZSHTBJTRA-UHFFFAOYSA-N 1 2 214.265 0.563 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cnco1 ZINC001031884105 642980222 /nfs/dbraw/zinc/98/02/22/642980222.db2.gz MKDRVHVYQAXAJP-UHFFFAOYSA-N 1 2 227.239 0.306 20 0 BCADLO CC[C@H]1C[N@H+](CC2OCCO2)C[C@H](C)O1 ZINC000182268584 642986093 /nfs/dbraw/zinc/98/60/93/642986093.db2.gz WMHAAWDUHBVHEL-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@H]1C[N@@H+](CC2OCCO2)C[C@H](C)O1 ZINC000182268584 642986099 /nfs/dbraw/zinc/98/60/99/642986099.db2.gz WMHAAWDUHBVHEL-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@H+](CC2OCCO2)C[C@H](C)O1 ZINC000182268566 642987700 /nfs/dbraw/zinc/98/77/00/642987700.db2.gz WMHAAWDUHBVHEL-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@@H+](CC2OCCO2)C[C@H](C)O1 ZINC000182268566 642987706 /nfs/dbraw/zinc/98/77/06/642987706.db2.gz WMHAAWDUHBVHEL-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO CNc1cc(N2CC[C@@](C)(O)C2)nc[nH+]1 ZINC000234584853 643089860 /nfs/dbraw/zinc/08/98/60/643089860.db2.gz FRKXSMOIQXSBQG-SNVBAGLBSA-N 1 2 208.265 0.479 20 0 BCADLO CNc1cc(N2CC[C@@](C)(O)C2)[nH+]cn1 ZINC000234584853 643089865 /nfs/dbraw/zinc/08/98/65/643089865.db2.gz FRKXSMOIQXSBQG-SNVBAGLBSA-N 1 2 208.265 0.479 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031985400 643155168 /nfs/dbraw/zinc/15/51/68/643155168.db2.gz AUUIEQTUCQYEEV-KOLCDFICSA-N 1 2 244.310 0.429 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccncn1 ZINC001015877403 643192449 /nfs/dbraw/zinc/19/24/49/643192449.db2.gz MJWYNQIZZNGUDM-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccncn1 ZINC001015877403 643192452 /nfs/dbraw/zinc/19/24/52/643192452.db2.gz MJWYNQIZZNGUDM-VIFPVBQESA-N 1 2 238.266 0.250 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cnsn2)[C@@H]1CO ZINC000306721855 643221971 /nfs/dbraw/zinc/22/19/71/643221971.db2.gz IHUQXMFEIJUMLO-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cnsn2)[C@@H]1CO ZINC000306721855 643221975 /nfs/dbraw/zinc/22/19/75/643221975.db2.gz IHUQXMFEIJUMLO-IONNQARKSA-N 1 2 213.306 0.741 20 0 BCADLO Cn1ccc(C(=O)NCC2C[NH+](CCF)C2)n1 ZINC001032184935 643280013 /nfs/dbraw/zinc/28/00/13/643280013.db2.gz PWLIJMXMASQUOM-UHFFFAOYSA-N 1 2 240.282 0.051 20 0 BCADLO CO[C@H](C)c1noc(C[NH2+][C@H]2COC[C@H]2C)n1 ZINC000932497206 643323888 /nfs/dbraw/zinc/32/38/88/643323888.db2.gz PODDJRGFXARWPO-HLTSFMKQSA-N 1 2 241.291 0.902 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032235234 643380399 /nfs/dbraw/zinc/38/03/99/643380399.db2.gz DKLHPIWRFYUUMC-STQMWFEESA-N 1 2 231.299 0.887 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032235234 643380403 /nfs/dbraw/zinc/38/04/03/643380403.db2.gz DKLHPIWRFYUUMC-STQMWFEESA-N 1 2 231.299 0.887 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)no1 ZINC001032235304 643381312 /nfs/dbraw/zinc/38/13/12/643381312.db2.gz GMFISLMLSDXREB-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)no1 ZINC001032235304 643381316 /nfs/dbraw/zinc/38/13/16/643381316.db2.gz GMFISLMLSDXREB-QWRGUYRKSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032235222 643381345 /nfs/dbraw/zinc/38/13/45/643381345.db2.gz CSHNMVAXDAMASN-RYUDHWBXSA-N 1 2 234.303 0.225 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032235222 643381348 /nfs/dbraw/zinc/38/13/48/643381348.db2.gz CSHNMVAXDAMASN-RYUDHWBXSA-N 1 2 234.303 0.225 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnoc1C ZINC001032240542 643390747 /nfs/dbraw/zinc/39/07/47/643390747.db2.gz VZCBWBRPDBYWJO-RYUDHWBXSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnoc1C ZINC001032240542 643390750 /nfs/dbraw/zinc/39/07/50/643390750.db2.gz VZCBWBRPDBYWJO-RYUDHWBXSA-N 1 2 235.287 0.788 20 0 BCADLO COC(=O)c1occc1C[NH2+][C@H](C)C(N)=O ZINC000035276272 643452404 /nfs/dbraw/zinc/45/24/04/643452404.db2.gz YAZKOTWPCUQELF-ZCFIWIBFSA-N 1 2 226.232 0.030 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000307446563 643478030 /nfs/dbraw/zinc/47/80/30/643478030.db2.gz HHDCFKDLHJOLLV-LURJTMIESA-N 1 2 201.163 0.955 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000307446563 643478034 /nfs/dbraw/zinc/47/80/34/643478034.db2.gz HHDCFKDLHJOLLV-LURJTMIESA-N 1 2 201.163 0.955 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735050222 643519771 /nfs/dbraw/zinc/51/97/71/643519771.db2.gz OXXSUPYALSYNBE-QLJPJBMISA-N 1 2 246.376 0.356 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735050222 643519777 /nfs/dbraw/zinc/51/97/77/643519777.db2.gz OXXSUPYALSYNBE-QLJPJBMISA-N 1 2 246.376 0.356 20 0 BCADLO CC[S@](=O)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000735116924 643523023 /nfs/dbraw/zinc/52/30/23/643523023.db2.gz UOZVIRLCEWMNIP-QFYYESIMSA-N 1 2 246.376 0.356 20 0 BCADLO CC[S@](=O)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000735116924 643523030 /nfs/dbraw/zinc/52/30/30/643523030.db2.gz UOZVIRLCEWMNIP-QFYYESIMSA-N 1 2 246.376 0.356 20 0 BCADLO C[C@H]1C(=O)CCC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC000932848810 643535242 /nfs/dbraw/zinc/53/52/42/643535242.db2.gz KUNNYJCRVNFAOQ-QWRGUYRKSA-N 1 2 238.331 0.956 20 0 BCADLO C[C@H]1C(=O)CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC000932848810 643535248 /nfs/dbraw/zinc/53/52/48/643535248.db2.gz KUNNYJCRVNFAOQ-QWRGUYRKSA-N 1 2 238.331 0.956 20 0 BCADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000970915649 643611988 /nfs/dbraw/zinc/61/19/88/643611988.db2.gz LSFHSRWQOAUZSB-NSHDSACASA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000970915649 643611991 /nfs/dbraw/zinc/61/19/91/643611991.db2.gz LSFHSRWQOAUZSB-NSHDSACASA-N 1 2 223.276 0.727 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000049773491 643623642 /nfs/dbraw/zinc/62/36/42/643623642.db2.gz WIFWUVIHXOIIFQ-SNVBAGLBSA-N 1 2 215.293 0.786 20 0 BCADLO CCCCOC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000049773491 643623647 /nfs/dbraw/zinc/62/36/47/643623647.db2.gz WIFWUVIHXOIIFQ-SNVBAGLBSA-N 1 2 215.293 0.786 20 0 BCADLO CCCOC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000073456322 643668354 /nfs/dbraw/zinc/66/83/54/643668354.db2.gz IWXKUDCZMJDBSK-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000087822614 643674952 /nfs/dbraw/zinc/67/49/52/643674952.db2.gz MUALPOAWPLRNBX-LURJTMIESA-N 1 2 209.253 0.065 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NC)nc[nH+]1 ZINC000087822614 643674956 /nfs/dbraw/zinc/67/49/56/643674956.db2.gz MUALPOAWPLRNBX-LURJTMIESA-N 1 2 209.253 0.065 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@@H]2C[C@]2(O)C1 ZINC000921906907 643822919 /nfs/dbraw/zinc/82/29/19/643822919.db2.gz YBGDHNINQJVZEP-CABZTGNLSA-N 1 2 233.271 0.087 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)Cn1cc[nH+]c1 ZINC000921997900 643841957 /nfs/dbraw/zinc/84/19/57/643841957.db2.gz SOFLXUNZUGPJCD-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1[C@H](C)CC[C@@H]1CO ZINC000922006228 643842755 /nfs/dbraw/zinc/84/27/55/643842755.db2.gz FKBMXJMFNAESAY-PSASIEDQSA-N 1 2 237.303 0.632 20 0 BCADLO CCn1cc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000085989054 643881920 /nfs/dbraw/zinc/88/19/20/643881920.db2.gz MUIBGJGVPTWLPI-UHFFFAOYSA-N 1 2 234.259 0.994 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C1=COCCO1 ZINC000922169667 643888646 /nfs/dbraw/zinc/88/86/46/643888646.db2.gz OILTWFLZNZNGQG-UHFFFAOYSA-N 1 2 236.227 0.595 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC=C[C@@H]1CO ZINC000922268106 643936861 /nfs/dbraw/zinc/93/68/61/643936861.db2.gz LJVSZKULYVLHCU-GHMZBOCLSA-N 1 2 247.298 0.205 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=C[C@@H]1CO ZINC000922277692 643944002 /nfs/dbraw/zinc/94/40/02/643944002.db2.gz MRDNGOLYHOFJAL-SECBINFHSA-N 1 2 221.260 0.020 20 0 BCADLO Cc1cc(C[NH2+]CC2OCCCO2)no1 ZINC000922277359 643944786 /nfs/dbraw/zinc/94/47/86/643944786.db2.gz AFUVQPMJCWNGNI-UHFFFAOYSA-N 1 2 212.249 0.836 20 0 BCADLO CCn1nc(C)c(C[NH2+]CC2OCCCO2)n1 ZINC000922279673 643947237 /nfs/dbraw/zinc/94/72/37/643947237.db2.gz PXNUSFKCMVEVMW-UHFFFAOYSA-N 1 2 240.307 0.459 20 0 BCADLO Nc1[nH+]cccc1COC(=O)CCn1ccnn1 ZINC000922314282 643967599 /nfs/dbraw/zinc/96/75/99/643967599.db2.gz XEXZXYBFHNXRHF-UHFFFAOYSA-N 1 2 247.258 0.389 20 0 BCADLO COC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000922356500 643980376 /nfs/dbraw/zinc/98/03/76/643980376.db2.gz SJBPTSBFNHVLEM-ZETCQYMHSA-N 1 2 211.265 0.412 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC[C@H]1O ZINC000922490033 644001911 /nfs/dbraw/zinc/00/19/11/644001911.db2.gz KXAGVJSHEBAFTB-VHSXEESVSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCC[C@@H]2O)c[nH+]1 ZINC000922490526 644003367 /nfs/dbraw/zinc/00/33/67/644003367.db2.gz QGPNZLUWNWXKCT-ZJUUUORDSA-N 1 2 236.271 0.868 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCC[C@H]2O)c[nH+]1 ZINC000922490524 644004689 /nfs/dbraw/zinc/00/46/89/644004689.db2.gz QGPNZLUWNWXKCT-VHSXEESVSA-N 1 2 236.271 0.868 20 0 BCADLO CCn1nc(C)c(CNC[C@H]2CC[N@@H+]2C)n1 ZINC000922576619 644030376 /nfs/dbraw/zinc/03/03/76/644030376.db2.gz UXAZQSSGGQCSSL-SNVBAGLBSA-N 1 2 223.324 0.400 20 0 BCADLO CCn1nc(C)c(CNC[C@H]2CC[N@H+]2C)n1 ZINC000922576619 644030382 /nfs/dbraw/zinc/03/03/82/644030382.db2.gz UXAZQSSGGQCSSL-SNVBAGLBSA-N 1 2 223.324 0.400 20 0 BCADLO CCn1ncc(CNC[C@@H]2CC[N@@H+]2C)n1 ZINC000922576023 644030479 /nfs/dbraw/zinc/03/04/79/644030479.db2.gz KATSORQOGPSHIU-JTQLQIEISA-N 1 2 209.297 0.092 20 0 BCADLO CCn1ncc(CNC[C@@H]2CC[N@H+]2C)n1 ZINC000922576023 644030483 /nfs/dbraw/zinc/03/04/83/644030483.db2.gz KATSORQOGPSHIU-JTQLQIEISA-N 1 2 209.297 0.092 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186810773 644146370 /nfs/dbraw/zinc/14/63/70/644146370.db2.gz SDVSCNMBXBWGPB-QWRGUYRKSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186810773 644146375 /nfs/dbraw/zinc/14/63/75/644146375.db2.gz SDVSCNMBXBWGPB-QWRGUYRKSA-N 1 2 229.320 0.888 20 0 BCADLO Cc1nc(N2C[C@H]3COC[C@]3(C)C2)nc(N)[nH+]1 ZINC000631362105 644155161 /nfs/dbraw/zinc/15/51/61/644155161.db2.gz UTBSUHBUQFRTJP-KWQFWETISA-N 1 2 235.291 0.235 20 0 BCADLO CCN(C(=O)c1n[nH]nc1C)C1C[NH+](CC)C1 ZINC000951117190 644194061 /nfs/dbraw/zinc/19/40/61/644194061.db2.gz HBNZRIPBMZUEIX-UHFFFAOYSA-N 1 2 237.307 0.279 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cncc(O)c1 ZINC000922976140 644206701 /nfs/dbraw/zinc/20/67/01/644206701.db2.gz RXCTXHUVLKATTM-UHFFFAOYSA-N 1 2 246.270 0.876 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(=O)cc[nH]2)CC1 ZINC000082304337 644366828 /nfs/dbraw/zinc/36/68/28/644366828.db2.gz XEKMVZPDOSRVRP-UHFFFAOYSA-N 1 2 235.287 0.153 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000087823063 644502960 /nfs/dbraw/zinc/50/29/60/644502960.db2.gz LZRLHSCMNKEAQD-ZETCQYMHSA-N 1 2 223.280 0.455 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(NC)nc[nH+]1 ZINC000087823063 644502963 /nfs/dbraw/zinc/50/29/63/644502963.db2.gz LZRLHSCMNKEAQD-ZETCQYMHSA-N 1 2 223.280 0.455 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923577458 644512103 /nfs/dbraw/zinc/51/21/03/644512103.db2.gz QYBPURGXBCGGCZ-FBIMIBRVSA-N 1 2 234.255 0.651 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C1CC(OC)C1 ZINC000230696523 644530302 /nfs/dbraw/zinc/53/03/02/644530302.db2.gz DZQGMESWGYOYGH-UEJVZZJDSA-N 1 2 201.266 0.705 20 0 BCADLO C[N@H+](CCC(F)(F)F)CCS(N)(=O)=O ZINC000740875634 644562164 /nfs/dbraw/zinc/56/21/64/644562164.db2.gz GRXLGMVLEYELRS-UHFFFAOYSA-N 1 2 234.243 0.159 20 0 BCADLO C[N@@H+](CCC(F)(F)F)CCS(N)(=O)=O ZINC000740875634 644562165 /nfs/dbraw/zinc/56/21/65/644562165.db2.gz GRXLGMVLEYELRS-UHFFFAOYSA-N 1 2 234.243 0.159 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(=O)o1 ZINC000246570986 644595632 /nfs/dbraw/zinc/59/56/32/644595632.db2.gz RVUWHKFAMXVPML-BDAKNGLRSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(=O)o1 ZINC000246570986 644595640 /nfs/dbraw/zinc/59/56/40/644595640.db2.gz RVUWHKFAMXVPML-BDAKNGLRSA-N 1 2 241.291 0.671 20 0 BCADLO OCC[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000092225328 644648983 /nfs/dbraw/zinc/64/89/83/644648983.db2.gz FNEFMYRHTRRQNP-GFCCVEGCSA-N 1 2 222.288 0.665 20 0 BCADLO OCC[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000092225328 644648985 /nfs/dbraw/zinc/64/89/85/644648985.db2.gz FNEFMYRHTRRQNP-GFCCVEGCSA-N 1 2 222.288 0.665 20 0 BCADLO O=C1C[N@H+](Cc2cccc(O)c2)CCCN1 ZINC000769114180 644678664 /nfs/dbraw/zinc/67/86/64/644678664.db2.gz IEWVSZLZAVKSBE-UHFFFAOYSA-N 1 2 220.272 0.714 20 0 BCADLO O=C1C[N@@H+](Cc2cccc(O)c2)CCCN1 ZINC000769114180 644678667 /nfs/dbraw/zinc/67/86/67/644678667.db2.gz IEWVSZLZAVKSBE-UHFFFAOYSA-N 1 2 220.272 0.714 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccn(C)c1 ZINC000093816017 644699413 /nfs/dbraw/zinc/69/94/13/644699413.db2.gz PPRIUWFVUABKOU-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccn(C)c1 ZINC000093816017 644699415 /nfs/dbraw/zinc/69/94/15/644699415.db2.gz PPRIUWFVUABKOU-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@@H](C)O1 ZINC000248907772 644704742 /nfs/dbraw/zinc/70/47/42/644704742.db2.gz MFRVYAAXFJIAQH-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@@H](C)O1 ZINC000248907772 644704747 /nfs/dbraw/zinc/70/47/47/644704747.db2.gz MFRVYAAXFJIAQH-MNOVXSKESA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cnn(C)c1 ZINC000782597638 644743220 /nfs/dbraw/zinc/74/32/20/644743220.db2.gz YQRBGQVRGISKBJ-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cnn(C)c1 ZINC000782597638 644743224 /nfs/dbraw/zinc/74/32/24/644743224.db2.gz YQRBGQVRGISKBJ-JTQLQIEISA-N 1 2 236.319 0.125 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC000957967763 644763467 /nfs/dbraw/zinc/76/34/67/644763467.db2.gz PPTXYKNDAIGMMH-IWIIMEHWSA-N 1 2 246.314 0.433 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC000957967763 644763473 /nfs/dbraw/zinc/76/34/73/644763473.db2.gz PPTXYKNDAIGMMH-IWIIMEHWSA-N 1 2 246.314 0.433 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000957983698 644764571 /nfs/dbraw/zinc/76/45/71/644764571.db2.gz PSNFSMBIULELIG-JZYVYDRUSA-N 1 2 236.275 0.026 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000957983698 644764576 /nfs/dbraw/zinc/76/45/76/644764576.db2.gz PSNFSMBIULELIG-JZYVYDRUSA-N 1 2 236.275 0.026 20 0 BCADLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000958267893 644785818 /nfs/dbraw/zinc/78/58/18/644785818.db2.gz FYGRWYNTBFWEHM-GDNZZTSVSA-N 1 2 249.314 0.877 20 0 BCADLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000958267893 644785823 /nfs/dbraw/zinc/78/58/23/644785823.db2.gz FYGRWYNTBFWEHM-GDNZZTSVSA-N 1 2 249.314 0.877 20 0 BCADLO Cc1cc(NC(=O)NOCCO)c(C)c[nH+]1 ZINC000792346845 644798542 /nfs/dbraw/zinc/79/85/42/644798542.db2.gz AZJXREFAGHHJCV-UHFFFAOYSA-N 1 2 225.248 0.166 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793240026 644802144 /nfs/dbraw/zinc/80/21/44/644802144.db2.gz BMMYONITHFTROJ-QMMMGPOBSA-N 1 2 239.275 0.030 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)CC(=O)N1C ZINC000800479608 644834848 /nfs/dbraw/zinc/83/48/48/644834848.db2.gz HIRXUUBVFATREA-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2=O)CC(=O)N1C ZINC000800479608 644834851 /nfs/dbraw/zinc/83/48/51/644834851.db2.gz HIRXUUBVFATREA-ZJUUUORDSA-N 1 2 240.303 0.102 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000800467959 644834916 /nfs/dbraw/zinc/83/49/16/644834916.db2.gz BQXPXMODIHDSDH-SNVBAGLBSA-N 1 2 245.344 0.475 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000800467959 644834922 /nfs/dbraw/zinc/83/49/22/644834922.db2.gz BQXPXMODIHDSDH-SNVBAGLBSA-N 1 2 245.344 0.475 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084094 644857906 /nfs/dbraw/zinc/85/79/06/644857906.db2.gz PYBSMSAASDOVDD-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084094 644857914 /nfs/dbraw/zinc/85/79/14/644857914.db2.gz PYBSMSAASDOVDD-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](CO)C1CC1 ZINC000807203926 644862283 /nfs/dbraw/zinc/86/22/83/644862283.db2.gz SNBJDZDDZVMGSN-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000097153399 644875088 /nfs/dbraw/zinc/87/50/88/644875088.db2.gz ZFKVLQNPHWEHQX-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000097153399 644875091 /nfs/dbraw/zinc/87/50/91/644875091.db2.gz ZFKVLQNPHWEHQX-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000815178977 644951772 /nfs/dbraw/zinc/95/17/72/644951772.db2.gz OQSRTOQZWSQAEY-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000815178977 644951778 /nfs/dbraw/zinc/95/17/78/644951778.db2.gz OQSRTOQZWSQAEY-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO O=C(/C=C/[C@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000819102702 645005514 /nfs/dbraw/zinc/00/55/14/645005514.db2.gz OMVAMLXSONBCEL-PGLGOXFNSA-N 1 2 235.287 0.735 20 0 BCADLO O=C(CCn1cc[nH+]c1)NN1CCCC1 ZINC000819658821 645013085 /nfs/dbraw/zinc/01/30/85/645013085.db2.gz PPUPTWQWRGQYNN-UHFFFAOYSA-N 1 2 208.265 0.400 20 0 BCADLO CC1(C)C[C@@H](O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000827670448 645083571 /nfs/dbraw/zinc/08/35/71/645083571.db2.gz MWIIVWLZCTVAGL-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000828560835 645105449 /nfs/dbraw/zinc/10/54/49/645105449.db2.gz QTGBWPZZOUZGQY-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000828560835 645105454 /nfs/dbraw/zinc/10/54/54/645105454.db2.gz QTGBWPZZOUZGQY-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO O=C1NC(=O)[C@@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]12 ZINC000831737305 645130452 /nfs/dbraw/zinc/13/04/52/645130452.db2.gz BKCZKLDIQGSTDS-YWEGNWRLSA-N 1 2 249.097 0.510 20 0 BCADLO O=C1NC(=O)[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]12 ZINC000831737305 645130455 /nfs/dbraw/zinc/13/04/55/645130455.db2.gz BKCZKLDIQGSTDS-YWEGNWRLSA-N 1 2 249.097 0.510 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC1(F)F ZINC000835268049 645166551 /nfs/dbraw/zinc/16/65/51/645166551.db2.gz XKWSFLJYQIWNDL-RKDXNWHRSA-N 1 2 249.257 0.906 20 0 BCADLO Cc1cc(NC(=O)[C@H]2NC(=O)O[C@H]2C)cc[nH+]1 ZINC000841393811 645209895 /nfs/dbraw/zinc/20/98/95/645209895.db2.gz SJWGIIJPPORNMA-CBAPKCEASA-N 1 2 235.243 0.247 20 0 BCADLO COCC(COC)[NH2+][C@H](C)c1ncco1 ZINC000926531670 645257428 /nfs/dbraw/zinc/25/74/28/645257428.db2.gz UQWRFEREINZYGR-MRVPVSSYSA-N 1 2 214.265 0.987 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926547668 645269493 /nfs/dbraw/zinc/26/94/93/645269493.db2.gz MSMSRERIKLGTIV-FXBDTBDDSA-N 1 2 241.291 0.833 20 0 BCADLO COC(=O)CC1([NH2+]Cc2c[nH]cn2)CC1 ZINC000844387092 645327545 /nfs/dbraw/zinc/32/75/45/645327545.db2.gz SETXSYMPDIWPFU-UHFFFAOYSA-N 1 2 209.249 0.595 20 0 BCADLO Cc1nn(C[N@H+](C)CC2CCCC2)c(=O)n1C ZINC000844687877 645342981 /nfs/dbraw/zinc/34/29/81/645342981.db2.gz JFMVFGPGTFGURR-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@@H+](C)CC2CCCC2)c(=O)n1C ZINC000844687877 645342986 /nfs/dbraw/zinc/34/29/86/645342986.db2.gz JFMVFGPGTFGURR-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO CC[C@@H]1COC[C@H]1[NH2+]Cc1nc(COC)n[nH]1 ZINC000926693159 645363114 /nfs/dbraw/zinc/36/31/14/645363114.db2.gz JOZDFXPSCYKKEF-RKDXNWHRSA-N 1 2 240.307 0.466 20 0 BCADLO CON1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000846970109 645409547 /nfs/dbraw/zinc/40/95/47/645409547.db2.gz AZEPYLAPYOKALZ-MRVPVSSYSA-N 1 2 242.241 0.479 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000926798233 645436986 /nfs/dbraw/zinc/43/69/86/645436986.db2.gz LTPXPGIZLOQCGZ-FTLITQJKSA-N 1 2 227.264 0.178 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000926798234 645437205 /nfs/dbraw/zinc/43/72/05/645437205.db2.gz LTPXPGIZLOQCGZ-NBEYISGCSA-N 1 2 227.264 0.178 20 0 BCADLO C[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000926826616 645445949 /nfs/dbraw/zinc/44/59/49/645445949.db2.gz ZBOLZFWYMPEWRA-HRDYMLBCSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@@H]1COC[C@@H]1[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000926826616 645445957 /nfs/dbraw/zinc/44/59/57/645445957.db2.gz ZBOLZFWYMPEWRA-HRDYMLBCSA-N 1 2 221.247 0.987 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000930222274 645451976 /nfs/dbraw/zinc/45/19/76/645451976.db2.gz PJTKZMLKVNBMKW-LVEVGFFFSA-N 1 2 247.298 0.423 20 0 BCADLO Nc1[nH+]cccc1CONC(=O)C1CC1 ZINC000853720898 645497484 /nfs/dbraw/zinc/49/74/84/645497484.db2.gz OVQVPHVPUKZGSL-UHFFFAOYSA-N 1 2 207.233 0.622 20 0 BCADLO CCc1ncc(CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000854848900 645513720 /nfs/dbraw/zinc/51/37/20/645513720.db2.gz IBUOQBJVQDTFQQ-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1(CO)CC1 ZINC000855478716 645526761 /nfs/dbraw/zinc/52/67/61/645526761.db2.gz WUWRYGPEQCFKCO-MRVPVSSYSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(F)cn1 ZINC000857470615 645569855 /nfs/dbraw/zinc/56/98/55/645569855.db2.gz NGSMKTRHNDDTKF-UHFFFAOYSA-N 1 2 234.234 0.803 20 0 BCADLO COC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927778727 645656357 /nfs/dbraw/zinc/65/63/57/645656357.db2.gz YWFZWNXOYCRHAO-UHFFFAOYSA-N 1 2 235.287 0.849 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CO ZINC000857729930 645668099 /nfs/dbraw/zinc/66/80/99/645668099.db2.gz ISCQUEFDBJTPIV-VHSXEESVSA-N 1 2 237.303 0.429 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cccnn1 ZINC000860262224 645688307 /nfs/dbraw/zinc/68/83/07/645688307.db2.gz BROXBYORTISSAQ-UHFFFAOYSA-N 1 2 232.243 0.610 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC2(CCC2)C1 ZINC000866550607 645731252 /nfs/dbraw/zinc/73/12/52/645731252.db2.gz UCDPWDXKTBLGIR-SNVBAGLBSA-N 1 2 235.287 0.846 20 0 BCADLO CO[C@@H]1CCCN(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000928422058 645736361 /nfs/dbraw/zinc/73/63/61/645736361.db2.gz LAGPLFNAHHIIRL-SECBINFHSA-N 1 2 238.291 0.094 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000928539529 645799059 /nfs/dbraw/zinc/79/90/59/645799059.db2.gz GCRUGAWNAJAIKM-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1coc(C2CC2)n1 ZINC000878627765 645821612 /nfs/dbraw/zinc/82/16/12/645821612.db2.gz UKFIVUMWAHJULB-SECBINFHSA-N 1 2 240.303 0.727 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1coc(C2CC2)n1 ZINC000878627765 645821614 /nfs/dbraw/zinc/82/16/14/645821614.db2.gz UKFIVUMWAHJULB-SECBINFHSA-N 1 2 240.303 0.727 20 0 BCADLO CC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928571987 645834646 /nfs/dbraw/zinc/83/46/46/645834646.db2.gz TYJSWZXIDPRWJC-LBPRGKRZSA-N 1 2 247.298 0.718 20 0 BCADLO CC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928571987 645834650 /nfs/dbraw/zinc/83/46/50/645834650.db2.gz TYJSWZXIDPRWJC-LBPRGKRZSA-N 1 2 247.298 0.718 20 0 BCADLO COc1nccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000923926779 645961143 /nfs/dbraw/zinc/96/11/43/645961143.db2.gz MWLLQFUCBVUKQA-UHFFFAOYSA-N 1 2 248.242 0.539 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095387 645977239 /nfs/dbraw/zinc/97/72/39/645977239.db2.gz HPNUICTYESFZKS-APPZFPTMSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3cn[nH]c3)no2)O1 ZINC000924095387 645977243 /nfs/dbraw/zinc/97/72/43/645977243.db2.gz HPNUICTYESFZKS-APPZFPTMSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3c[nH]cn3)no2)O1 ZINC000924093477 645978823 /nfs/dbraw/zinc/97/88/23/645978823.db2.gz ZFOQPNKQSCKRJC-IONNQARKSA-N 1 2 249.274 0.851 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3c[nH]cn3)no2)O1 ZINC000924093477 645978828 /nfs/dbraw/zinc/97/88/28/645978828.db2.gz ZFOQPNKQSCKRJC-IONNQARKSA-N 1 2 249.274 0.851 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2noc3c2COCC3)C1 ZINC000929214876 646013108 /nfs/dbraw/zinc/01/31/08/646013108.db2.gz IJENYCQGYDVBBG-VIFPVBQESA-N 1 2 238.287 0.704 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000929214876 646013110 /nfs/dbraw/zinc/01/31/10/646013110.db2.gz IJENYCQGYDVBBG-VIFPVBQESA-N 1 2 238.287 0.704 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+](C)CC(=O)NC1CC1 ZINC000929228682 646024987 /nfs/dbraw/zinc/02/49/87/646024987.db2.gz QQDDTFTUJNHCRW-TWGQIWQCSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+](C)CC(=O)NC1CC1 ZINC000929228682 646024989 /nfs/dbraw/zinc/02/49/89/646024989.db2.gz QQDDTFTUJNHCRW-TWGQIWQCSA-N 1 2 240.303 0.316 20 0 BCADLO Cc1nnc(CC[N@H+]2CCOC[C@@H]2C)o1 ZINC000929252083 646034456 /nfs/dbraw/zinc/03/44/56/646034456.db2.gz RHKTZMQQTUUABA-QMMMGPOBSA-N 1 2 211.265 0.641 20 0 BCADLO Cc1nnc(CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC000929252083 646034458 /nfs/dbraw/zinc/03/44/58/646034458.db2.gz RHKTZMQQTUUABA-QMMMGPOBSA-N 1 2 211.265 0.641 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000929253167 646035153 /nfs/dbraw/zinc/03/51/53/646035153.db2.gz DRSXPXSYOLWXSN-CHWSQXEVSA-N 1 2 237.299 0.413 20 0 BCADLO OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000929253167 646035159 /nfs/dbraw/zinc/03/51/59/646035159.db2.gz DRSXPXSYOLWXSN-CHWSQXEVSA-N 1 2 237.299 0.413 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000924462485 646040017 /nfs/dbraw/zinc/04/00/17/646040017.db2.gz YSHKAXABSRDIBB-RYUDHWBXSA-N 1 2 249.314 0.911 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000929259396 646042435 /nfs/dbraw/zinc/04/24/35/646042435.db2.gz XBDQRBMVEBXWLS-QMMMGPOBSA-N 1 2 225.267 0.960 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000929259396 646042439 /nfs/dbraw/zinc/04/24/39/646042439.db2.gz XBDQRBMVEBXWLS-QMMMGPOBSA-N 1 2 225.267 0.960 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCNC(=O)C1 ZINC000929306518 646074758 /nfs/dbraw/zinc/07/47/58/646074758.db2.gz VKAHRLGRGORVPC-UHFFFAOYSA-N 1 2 244.254 0.135 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nn(C)cc1C ZINC000929332645 646085173 /nfs/dbraw/zinc/08/51/73/646085173.db2.gz ARSCJUFGNBWKDZ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nn(C)cc1C ZINC000929332645 646085176 /nfs/dbraw/zinc/08/51/76/646085176.db2.gz ARSCJUFGNBWKDZ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CON1CC[C@H]([N@@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000929348864 646089611 /nfs/dbraw/zinc/08/96/11/646089611.db2.gz VTZVLYPJGQQAEX-UWVGGRQHSA-N 1 2 242.319 0.648 20 0 BCADLO CON1CC[C@H]([N@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000929348864 646089617 /nfs/dbraw/zinc/08/96/17/646089617.db2.gz VTZVLYPJGQQAEX-UWVGGRQHSA-N 1 2 242.319 0.648 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@H](O)[C@H](C)O ZINC000929361012 646094899 /nfs/dbraw/zinc/09/48/99/646094899.db2.gz UTCQWLKONGLRPU-UWVGGRQHSA-N 1 2 233.308 0.003 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@H](O)[C@H](C)O ZINC000929361012 646094903 /nfs/dbraw/zinc/09/49/03/646094903.db2.gz UTCQWLKONGLRPU-UWVGGRQHSA-N 1 2 233.308 0.003 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000924755249 646102888 /nfs/dbraw/zinc/10/28/88/646102888.db2.gz HYSCNDBKPOVVFE-UJURSFKZSA-N 1 2 239.197 0.952 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000929427604 646117916 /nfs/dbraw/zinc/11/79/16/646117916.db2.gz JYEXGGZBYGJWAX-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000929427604 646117921 /nfs/dbraw/zinc/11/79/21/646117921.db2.gz JYEXGGZBYGJWAX-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000924897710 646127534 /nfs/dbraw/zinc/12/75/34/646127534.db2.gz RHLSGUVSOMGNKN-XPUUQOCRSA-N 1 2 224.264 0.259 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000924897707 646128082 /nfs/dbraw/zinc/12/80/82/646128082.db2.gz RHLSGUVSOMGNKN-HTRCEHHLSA-N 1 2 224.264 0.259 20 0 BCADLO CCc1onc(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000929481671 646136379 /nfs/dbraw/zinc/13/63/79/646136379.db2.gz GXEOOKXYLMQHLH-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CCc1onc(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000929481671 646136384 /nfs/dbraw/zinc/13/63/84/646136384.db2.gz GXEOOKXYLMQHLH-UHFFFAOYSA-N 1 2 237.303 0.867 20 0 BCADLO CC[N@H+](CCO)Cc1nc(COC(C)C)no1 ZINC000929513955 646163176 /nfs/dbraw/zinc/16/31/76/646163176.db2.gz NMYLMMZXGKCYTL-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(COC(C)C)no1 ZINC000929513955 646163184 /nfs/dbraw/zinc/16/31/84/646163184.db2.gz NMYLMMZXGKCYTL-UHFFFAOYSA-N 1 2 243.307 0.809 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2)c(C)nn1 ZINC000929514466 646163802 /nfs/dbraw/zinc/16/38/02/646163802.db2.gz QFTFXZAPZPDBKW-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)CC2)c(C)nn1 ZINC000929514466 646163805 /nfs/dbraw/zinc/16/38/05/646163805.db2.gz QFTFXZAPZPDBKW-UHFFFAOYSA-N 1 2 234.303 0.415 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nncs1 ZINC000929522110 646172511 /nfs/dbraw/zinc/17/25/11/646172511.db2.gz XCXYURPOKHRWIT-JGVFFNPUSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nncs1 ZINC000929522110 646172518 /nfs/dbraw/zinc/17/25/18/646172518.db2.gz XCXYURPOKHRWIT-JGVFFNPUSA-N 1 2 240.332 0.624 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOC1CC1 ZINC000929641498 646216504 /nfs/dbraw/zinc/21/65/04/646216504.db2.gz RSSKNCSICDJTKS-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOC1CC1 ZINC000929641498 646216506 /nfs/dbraw/zinc/21/65/06/646216506.db2.gz RSSKNCSICDJTKS-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CN1CC[N@H+](CCCc2cccnc2)CC1=O ZINC000929697158 646252825 /nfs/dbraw/zinc/25/28/25/646252825.db2.gz UJVGZHOIYUBUMB-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CN1CC[N@@H+](CCCc2cccnc2)CC1=O ZINC000929697158 646252827 /nfs/dbraw/zinc/25/28/27/646252827.db2.gz UJVGZHOIYUBUMB-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CN(Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925430369 646280094 /nfs/dbraw/zinc/28/00/94/646280094.db2.gz PKQSIOAXLLCDQE-SNVBAGLBSA-N 1 2 237.307 0.255 20 0 BCADLO CN(Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925430369 646280097 /nfs/dbraw/zinc/28/00/97/646280097.db2.gz PKQSIOAXLLCDQE-SNVBAGLBSA-N 1 2 237.307 0.255 20 0 BCADLO O=C1C[N@H+](CCOC2CC2)CCN1C1CC1 ZINC000929785776 646315561 /nfs/dbraw/zinc/31/55/61/646315561.db2.gz WBYSLRIFJDSLBI-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO O=C1C[N@@H+](CCOC2CC2)CCN1C1CC1 ZINC000929785776 646315565 /nfs/dbraw/zinc/31/55/65/646315565.db2.gz WBYSLRIFJDSLBI-UHFFFAOYSA-N 1 2 224.304 0.472 20 0 BCADLO Cc1nonc1[C@@H](C)NCC[NH+]1CCC1 ZINC000925604648 646354512 /nfs/dbraw/zinc/35/45/12/646354512.db2.gz MNWUYDKZXFIRSC-MRVPVSSYSA-N 1 2 210.281 0.734 20 0 BCADLO C[C@H](c1ncccn1)[N@H+](C)CC(C)(CO)CO ZINC000929858478 646363868 /nfs/dbraw/zinc/36/38/68/646363868.db2.gz IQNVBJWTVMZJQM-SNVBAGLBSA-N 1 2 239.319 0.460 20 0 BCADLO C[C@H](c1ncccn1)[N@@H+](C)CC(C)(CO)CO ZINC000929858478 646363871 /nfs/dbraw/zinc/36/38/71/646363871.db2.gz IQNVBJWTVMZJQM-SNVBAGLBSA-N 1 2 239.319 0.460 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+](C)C(C)(C)C(=O)OC ZINC000929970099 646382091 /nfs/dbraw/zinc/38/20/91/646382091.db2.gz SPYFYNQRKWVWGU-CLFYSBASSA-N 1 2 243.303 0.989 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+](C)C(C)(C)C(=O)OC ZINC000929970099 646382093 /nfs/dbraw/zinc/38/20/93/646382093.db2.gz SPYFYNQRKWVWGU-CLFYSBASSA-N 1 2 243.303 0.989 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000929993249 646386477 /nfs/dbraw/zinc/38/64/77/646386477.db2.gz IENSRMAKAQDHQK-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000929993249 646386479 /nfs/dbraw/zinc/38/64/79/646386479.db2.gz IENSRMAKAQDHQK-GFCCVEGCSA-N 1 2 249.314 0.984 20 0 BCADLO Cc1c(C[NH2+][C@@H](C)c2cnn(C)n2)cnn1C ZINC000925647776 646390197 /nfs/dbraw/zinc/39/01/97/646390197.db2.gz GXXPUCOFKJKUDO-QMMMGPOBSA-N 1 2 234.307 0.708 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930121565 646445539 /nfs/dbraw/zinc/44/55/39/646445539.db2.gz OXNFQMPKPGVKGF-OUAUKWLOSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930121565 646445543 /nfs/dbraw/zinc/44/55/43/646445543.db2.gz OXNFQMPKPGVKGF-OUAUKWLOSA-N 1 2 237.303 0.645 20 0 BCADLO O[C@H](C[N@@H+]1CCC=C(F)C1)C1(O)CCOCC1 ZINC000930172715 646473823 /nfs/dbraw/zinc/47/38/23/646473823.db2.gz FSBSIBWPJOPEHV-LLVKDONJSA-N 1 2 245.294 0.448 20 0 BCADLO O[C@H](C[N@H+]1CCC=C(F)C1)C1(O)CCOCC1 ZINC000930172715 646473825 /nfs/dbraw/zinc/47/38/25/646473825.db2.gz FSBSIBWPJOPEHV-LLVKDONJSA-N 1 2 245.294 0.448 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNOC2)c2nccn21 ZINC000925858397 646512711 /nfs/dbraw/zinc/51/27/11/646512711.db2.gz BLSMXMCOGKRZCP-IWSPIJDZSA-N 1 2 208.265 0.382 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CNOC1 ZINC000926042738 646564606 /nfs/dbraw/zinc/56/46/06/646564606.db2.gz NFQLHYDSVLLKOC-SECBINFHSA-N 1 2 247.258 0.359 20 0 BCADLO Cc1nc(CC[NH2+][C@H](C)c2nonc2C)n[nH]1 ZINC000926113620 646575901 /nfs/dbraw/zinc/57/59/01/646575901.db2.gz CIBXAXASBUJZTR-ZCFIWIBFSA-N 1 2 236.279 0.698 20 0 BCADLO COC[C@H](CO)[NH2+][C@H](C)c1nonc1C ZINC000926336962 646618372 /nfs/dbraw/zinc/61/83/72/646618372.db2.gz GVVXQQJANDUTRM-SVRRBLITSA-N 1 2 215.253 0.036 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000724726964 711609798 /nfs/dbraw/zinc/60/97/98/711609798.db2.gz JFJGBHNTEHQQIY-RQJHMYQMSA-N 1 2 222.235 0.216 20 0 BCADLO CC(C)OCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724720709 711610095 /nfs/dbraw/zinc/61/00/95/711610095.db2.gz GSAFMUFELFRANQ-MRVPVSSYSA-N 1 2 238.278 0.900 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1[nH]c(C)nc1C ZINC000724791445 711615155 /nfs/dbraw/zinc/61/51/55/711615155.db2.gz HJVVRXIGOYMTQN-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CCNC(=O)CN(CC)c1cc(NC)[nH+]cn1 ZINC000131327362 711629029 /nfs/dbraw/zinc/62/90/29/711629029.db2.gz GWWMYXJKUGJJCO-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CCNC(=O)CN(CC)c1cc(NC)nc[nH+]1 ZINC000131327362 711629034 /nfs/dbraw/zinc/62/90/34/711629034.db2.gz GWWMYXJKUGJJCO-UHFFFAOYSA-N 1 2 237.307 0.481 20 0 BCADLO CCNC(=S)N[C@H](C)C[NH+]1CCOCC1 ZINC000136029512 711681148 /nfs/dbraw/zinc/68/11/48/711681148.db2.gz BJCPCWRXWMDWMX-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141333 711708304 /nfs/dbraw/zinc/70/83/04/711708304.db2.gz WJCAEKQCPYTINU-BDAKNGLRSA-N 1 2 210.281 0.977 20 0 BCADLO CO[C@H](C)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141333 711708305 /nfs/dbraw/zinc/70/83/05/711708305.db2.gz WJCAEKQCPYTINU-BDAKNGLRSA-N 1 2 210.281 0.977 20 0 BCADLO CC[S@](C)(=O)=NC(=O)Cc1[nH]c[nH+]c1C ZINC000925819377 711755722 /nfs/dbraw/zinc/75/57/22/711755722.db2.gz BBMHRLKLUKJPHJ-HNNXBMFYSA-N 1 2 229.305 0.905 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cscn1 ZINC000895317804 711780440 /nfs/dbraw/zinc/78/04/40/711780440.db2.gz PKEYYJVZLXBYGH-MRVPVSSYSA-N 1 2 225.317 0.757 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC001042514531 711780977 /nfs/dbraw/zinc/78/09/77/711780977.db2.gz SOCXDYAIMKMZDC-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)C1CC1 ZINC001076662449 711806872 /nfs/dbraw/zinc/80/68/72/711806872.db2.gz IDHXCTAQBCOZSI-XYQJQTKGSA-N 1 2 244.722 0.310 20 0 BCADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)C1CC1 ZINC001076662449 711806873 /nfs/dbraw/zinc/80/68/73/711806873.db2.gz IDHXCTAQBCOZSI-XYQJQTKGSA-N 1 2 244.722 0.310 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000379999712 711816471 /nfs/dbraw/zinc/81/64/71/711816471.db2.gz MADWLKJERUBCBR-MRVPVSSYSA-N 1 2 231.321 0.495 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](CCCO)C1)C1CCC1 ZINC001030508657 711835717 /nfs/dbraw/zinc/83/57/17/711835717.db2.gz CQCWWWLSBSQOPV-SNVBAGLBSA-N 1 2 240.347 0.605 20 0 BCADLO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032248707 711908365 /nfs/dbraw/zinc/90/83/65/711908365.db2.gz XDJDRKPHGMFKAW-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032248707 711908366 /nfs/dbraw/zinc/90/83/66/711908366.db2.gz XDJDRKPHGMFKAW-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO Cc1ccc(CNC[C@H]2COCC[NH2+]2)cn1 ZINC000530182531 711937834 /nfs/dbraw/zinc/93/78/34/711937834.db2.gz VYFPKUSTCZEDSO-LBPRGKRZSA-N 1 2 221.304 0.468 20 0 BCADLO CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001054300400 711945403 /nfs/dbraw/zinc/94/54/03/711945403.db2.gz DKXLBSQDSUSZNO-OIBJUYFYSA-N 1 2 240.332 0.495 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001032844534 711962398 /nfs/dbraw/zinc/96/23/98/711962398.db2.gz BIFODOQCKNCPNS-LLVKDONJSA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001032844534 711962399 /nfs/dbraw/zinc/96/23/99/711962399.db2.gz BIFODOQCKNCPNS-LLVKDONJSA-N 1 2 223.276 0.727 20 0 BCADLO CNc1cc(NCCOCCF)[nH+]cn1 ZINC000702571071 712055784 /nfs/dbraw/zinc/05/57/84/712055784.db2.gz LMSDHRKUUWMLIF-UHFFFAOYSA-N 1 2 214.244 0.916 20 0 BCADLO C[N@@H+]1CCN(C(=O)OC2CCC2)[C@@H](CO)C1 ZINC000703823989 712090127 /nfs/dbraw/zinc/09/01/27/712090127.db2.gz VTIUVFAHEZQRQV-SECBINFHSA-N 1 2 228.292 0.284 20 0 BCADLO C[N@H+]1CCN(C(=O)OC2CCC2)[C@@H](CO)C1 ZINC000703823989 712090129 /nfs/dbraw/zinc/09/01/29/712090129.db2.gz VTIUVFAHEZQRQV-SECBINFHSA-N 1 2 228.292 0.284 20 0 BCADLO CCn1cc(C[NH2+][C@@H]2CCC2(OC)OC)nn1 ZINC000711007422 712274319 /nfs/dbraw/zinc/27/43/19/712274319.db2.gz YHEWTGHIJZKQLU-SNVBAGLBSA-N 1 2 240.307 0.539 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1cnn(C)c1Cl ZINC000378862806 712364934 /nfs/dbraw/zinc/36/49/34/712364934.db2.gz UJZGHNQQARTGPI-UHFFFAOYSA-N 1 2 244.726 0.688 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cscn2)C1 ZINC000379132231 712370373 /nfs/dbraw/zinc/37/03/73/712370373.db2.gz VMZAGHFOFPHKKE-UHFFFAOYSA-N 1 2 225.317 0.967 20 0 BCADLO c1nc(C[NH2+][C@H]2CCCC23OCCO3)c[nH]1 ZINC000715760938 712531825 /nfs/dbraw/zinc/53/18/25/712531825.db2.gz JSKYSJLQWJQNNU-JTQLQIEISA-N 1 2 223.276 0.795 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnccn1 ZINC000813335092 712587877 /nfs/dbraw/zinc/58/78/77/712587877.db2.gz KIEDCUGCJBQUIW-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnccn1 ZINC000813335092 712587879 /nfs/dbraw/zinc/58/78/79/712587879.db2.gz KIEDCUGCJBQUIW-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000389892243 712691048 /nfs/dbraw/zinc/69/10/48/712691048.db2.gz ALDOASOXYXRUSY-HRDYMLBCSA-N 1 2 213.277 0.705 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720427647 712841817 /nfs/dbraw/zinc/84/18/17/712841817.db2.gz UCRHZAUQMBEBBZ-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720427647 712841820 /nfs/dbraw/zinc/84/18/20/712841820.db2.gz UCRHZAUQMBEBBZ-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720424413 712841848 /nfs/dbraw/zinc/84/18/48/712841848.db2.gz IDPFNOPYHFAHNK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720424413 712841850 /nfs/dbraw/zinc/84/18/50/712841850.db2.gz IDPFNOPYHFAHNK-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nonc1C)C(N)=O ZINC000381349311 710625010 /nfs/dbraw/zinc/62/50/10/710625010.db2.gz BGYYSABGBJDUII-RCOVLWMOSA-N 1 2 226.280 0.368 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)nn1 ZINC000381370766 710628950 /nfs/dbraw/zinc/62/89/50/710628950.db2.gz HLNNQWKCMINRAW-UHFFFAOYSA-N 1 2 242.710 0.827 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)nn1 ZINC000381370766 710628955 /nfs/dbraw/zinc/62/89/55/710628955.db2.gz HLNNQWKCMINRAW-UHFFFAOYSA-N 1 2 242.710 0.827 20 0 BCADLO C[C@@H](O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000381552290 710653739 /nfs/dbraw/zinc/65/37/39/710653739.db2.gz MZWLPLWTBADNCM-MRVPVSSYSA-N 1 2 224.260 0.351 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H](C)CO1 ZINC000724771376 710746687 /nfs/dbraw/zinc/74/66/87/710746687.db2.gz KJMQMKYUEVIDOR-XLPZGREQSA-N 1 2 236.262 0.605 20 0 BCADLO CN(C(=O)[C@@H]1CC=CCC1)C1C[NH+](CCO)C1 ZINC001042467110 710786782 /nfs/dbraw/zinc/78/67/82/710786782.db2.gz YOHMMJRTEKXLFJ-LLVKDONJSA-N 1 2 238.331 0.478 20 0 BCADLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042402294 710781599 /nfs/dbraw/zinc/78/15/99/710781599.db2.gz BAOYFCBYORVTDQ-SECBINFHSA-N 1 2 246.326 0.912 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042402707 710781629 /nfs/dbraw/zinc/78/16/29/710781629.db2.gz PPLZRHWSMIXDLR-MRVPVSSYSA-N 1 2 232.299 0.258 20 0 BCADLO Cc1ccc(C(=O)N(C)C2C[NH+](CCO)C2)cn1 ZINC001042483323 710786584 /nfs/dbraw/zinc/78/65/84/710786584.db2.gz CGZMUAKGXXNCJC-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2CC(C)C2)C1 ZINC001042597646 710794689 /nfs/dbraw/zinc/79/46/89/710794689.db2.gz NZSSUZGSFKIURD-UHFFFAOYSA-N 1 2 240.347 0.822 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC001042706872 710798495 /nfs/dbraw/zinc/79/84/95/710798495.db2.gz BIIQXFCHJLVVKF-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2(C)CC2)C1 ZINC001042761316 710798605 /nfs/dbraw/zinc/79/86/05/710798605.db2.gz DROQNUSOPZRDPH-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001042702254 710798620 /nfs/dbraw/zinc/79/86/20/710798620.db2.gz UEFFOBIRADFNSI-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)C2(F)CCOCC2)C1 ZINC001042871609 710799897 /nfs/dbraw/zinc/79/98/97/710799897.db2.gz GAUGAVYAAHHNCW-UHFFFAOYSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001043542446 710809358 /nfs/dbraw/zinc/80/93/58/710809358.db2.gz TUENKGHVIQFFLY-SNVBAGLBSA-N 1 2 240.347 0.700 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001043641407 710810984 /nfs/dbraw/zinc/81/09/84/710810984.db2.gz ICGDIBBYRFVMMB-LLVKDONJSA-N 1 2 230.283 0.278 20 0 BCADLO CN(C(=O)[C@H]1CC[C@H](F)C1)C1C[NH+](CCO)C1 ZINC001043659886 710811085 /nfs/dbraw/zinc/81/10/85/710811085.db2.gz QHRYJGJSRYQSDK-UWVGGRQHSA-N 1 2 244.310 0.260 20 0 BCADLO CN(C(=O)C1(C)CC=CC1)C1C[NH+](CCO)C1 ZINC001043753505 710812407 /nfs/dbraw/zinc/81/24/07/710812407.db2.gz DRBQZWDOGOKTNU-UHFFFAOYSA-N 1 2 238.331 0.478 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@H]2C)C1 ZINC001043756748 710812495 /nfs/dbraw/zinc/81/24/95/710812495.db2.gz VQYCSOLUCNNBET-GHMZBOCLSA-N 1 2 240.347 0.822 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001043921690 710814854 /nfs/dbraw/zinc/81/48/54/710814854.db2.gz ZEJHVUYRHXCQQD-ZYHUDNBSSA-N 1 2 240.347 0.822 20 0 BCADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC001044068566 710818689 /nfs/dbraw/zinc/81/86/89/710818689.db2.gz ZNOWQIPCLKUUBW-UHFFFAOYSA-N 1 2 249.318 0.527 20 0 BCADLO CC(=O)N1CCOC2(C[NH+](CC[C@H](C)F)C2)C1 ZINC001053114017 710919820 /nfs/dbraw/zinc/91/98/20/710919820.db2.gz VYFKDIDIONXMIT-JTQLQIEISA-N 1 2 244.310 0.668 20 0 BCADLO CC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053706759 710921580 /nfs/dbraw/zinc/92/15/80/710921580.db2.gz QSQDESLACCHCAT-SNVBAGLBSA-N 1 2 230.283 0.325 20 0 BCADLO COC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053711396 710921764 /nfs/dbraw/zinc/92/17/64/710921764.db2.gz KUKCNEQKODYGGX-KOLCDFICSA-N 1 2 242.319 0.001 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054300281 710925996 /nfs/dbraw/zinc/92/59/96/710925996.db2.gz ZQHKZEALYJGJCE-XCBNKYQSSA-N 1 2 238.291 0.334 20 0 BCADLO CC[C@@H](C[N@@H+]1CCOC[C@@H]1CNC(C)=O)OC ZINC001050780573 710955171 /nfs/dbraw/zinc/95/51/71/710955171.db2.gz DPFOWLAFGKAXCE-RYUDHWBXSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C[N@H+]1CCOC[C@@H]1CNC(C)=O)OC ZINC001050780573 710955172 /nfs/dbraw/zinc/95/51/72/710955172.db2.gz DPFOWLAFGKAXCE-RYUDHWBXSA-N 1 2 244.335 0.248 20 0 BCADLO CNc1cc(N(C)CCCCO)nc[nH+]1 ZINC000384828636 710998768 /nfs/dbraw/zinc/99/87/68/710998768.db2.gz UYEGNQZBQNEYFZ-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO CNc1cc(N(C)CCCCO)[nH+]cn1 ZINC000384828636 710998772 /nfs/dbraw/zinc/99/87/72/710998772.db2.gz UYEGNQZBQNEYFZ-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO Cc1nc(N2CC[C@H](NC(=O)C3CC3)C2)cc[nH+]1 ZINC001058277257 710967859 /nfs/dbraw/zinc/96/78/59/710967859.db2.gz DNBFNINUJQKQMD-NSHDSACASA-N 1 2 246.314 0.890 20 0 BCADLO CNc1cc(N2C[C@@H](O)C[C@H]2C)nc[nH+]1 ZINC000384828336 710998806 /nfs/dbraw/zinc/99/88/06/710998806.db2.gz UVFWDMWMTKAFFA-SFYZADRCSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N2C[C@@H](O)C[C@H]2C)[nH+]cn1 ZINC000384828336 710998809 /nfs/dbraw/zinc/99/88/09/710998809.db2.gz UVFWDMWMTKAFFA-SFYZADRCSA-N 1 2 208.265 0.478 20 0 BCADLO COCC(COC)[NH2+]Cc1cc(C)on1 ZINC000385228748 711009058 /nfs/dbraw/zinc/00/90/58/711009058.db2.gz SVHPGASGGOWCBT-UHFFFAOYSA-N 1 2 214.265 0.734 20 0 BCADLO COC[C@H](C)NC(=S)NCc1c[nH+]cn1C ZINC000388546286 711062168 /nfs/dbraw/zinc/06/21/68/711062168.db2.gz HDVHHNPBOVERJD-QMMMGPOBSA-N 1 2 242.348 0.419 20 0 BCADLO COC[C@@H](C)NC(=S)NCc1c[nH+]cn1C ZINC000388546285 711062405 /nfs/dbraw/zinc/06/24/05/711062405.db2.gz HDVHHNPBOVERJD-MRVPVSSYSA-N 1 2 242.348 0.419 20 0 BCADLO CSC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000389338190 711077156 /nfs/dbraw/zinc/07/71/56/711077156.db2.gz PHJOCDFHZWAAGD-UHFFFAOYSA-N 1 2 227.337 0.568 20 0 BCADLO CSC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000389338190 711077160 /nfs/dbraw/zinc/07/71/60/711077160.db2.gz PHJOCDFHZWAAGD-UHFFFAOYSA-N 1 2 227.337 0.568 20 0 BCADLO CCOCC(=O)OCc1cc[nH+]c(N)c1 ZINC000389656817 711084981 /nfs/dbraw/zinc/08/49/81/711084981.db2.gz ZFJAVOIATJBUBE-UHFFFAOYSA-N 1 2 210.233 0.574 20 0 BCADLO CNc1cc(NCc2cc(C)nn2C)nc[nH+]1 ZINC000390297857 711111126 /nfs/dbraw/zinc/11/11/26/711111126.db2.gz JZVDYQMZNVEQSW-UHFFFAOYSA-N 1 2 232.291 0.594 20 0 BCADLO CNc1cc(NCc2cc(C)nn2C)[nH+]cn1 ZINC000390297857 711111127 /nfs/dbraw/zinc/11/11/27/711111127.db2.gz JZVDYQMZNVEQSW-UHFFFAOYSA-N 1 2 232.291 0.594 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2c[nH]cn2)CC1=O ZINC000391610019 711139719 /nfs/dbraw/zinc/13/97/19/711139719.db2.gz NFNGOQKJOAVGGT-MRVPVSSYSA-N 1 2 208.265 0.120 20 0 BCADLO COC(OC)[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000391871907 711142119 /nfs/dbraw/zinc/14/21/19/711142119.db2.gz JWYIZITWQLASPB-ZCFIWIBFSA-N 1 2 231.321 0.944 20 0 BCADLO C/C=C\C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394697574 711196201 /nfs/dbraw/zinc/19/62/01/711196201.db2.gz DCCLVGVGWZBAJM-CJHWANRJSA-N 1 2 223.320 0.069 20 0 BCADLO C/C=C\C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394697574 711196203 /nfs/dbraw/zinc/19/62/03/711196203.db2.gz DCCLVGVGWZBAJM-CJHWANRJSA-N 1 2 223.320 0.069 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394840148 711198745 /nfs/dbraw/zinc/19/87/45/711198745.db2.gz JSQIVLVLQXLWGJ-LLVKDONJSA-N 1 2 240.351 0.084 20 0 BCADLO CC(C)NC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394840148 711198749 /nfs/dbraw/zinc/19/87/49/711198749.db2.gz JSQIVLVLQXLWGJ-LLVKDONJSA-N 1 2 240.351 0.084 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc(C)c(C)s1 ZINC000397518891 711383952 /nfs/dbraw/zinc/38/39/52/711383952.db2.gz DJZYJROHZZAZPD-UHFFFAOYSA-N 1 2 243.332 0.869 20 0 BCADLO CNc1cc(N2C[C@H](CO)C[C@H](C)C2)nc[nH+]1 ZINC000398616899 711413131 /nfs/dbraw/zinc/41/31/31/711413131.db2.gz DBRYCKVFANUKDS-VHSXEESVSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2C[C@H](CO)C[C@H](C)C2)[nH+]cn1 ZINC000398616899 711413135 /nfs/dbraw/zinc/41/31/35/711413135.db2.gz DBRYCKVFANUKDS-VHSXEESVSA-N 1 2 236.319 0.973 20 0 BCADLO Cc1cnn(C)c1CNc1cc[nH+]c(C)n1 ZINC000394152482 710843402 /nfs/dbraw/zinc/84/34/02/710843402.db2.gz WJUVOHCZSDOQQX-UHFFFAOYSA-N 1 2 217.276 0.861 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000384993537 711002575 /nfs/dbraw/zinc/00/25/75/711002575.db2.gz FAPWHBQUIPWAII-UWVGGRQHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000384993537 711002579 /nfs/dbraw/zinc/00/25/79/711002579.db2.gz FAPWHBQUIPWAII-UWVGGRQHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCn1cc(C[NH2+]Cc2cnn(C)n2)cn1 ZINC000389824804 711091355 /nfs/dbraw/zinc/09/13/55/711091355.db2.gz OZMFBZPMHMNAHN-UHFFFAOYSA-N 1 2 234.307 0.711 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000392455718 711148086 /nfs/dbraw/zinc/14/80/86/711148086.db2.gz MHMYKCCEASXNOF-QMMMGPOBSA-N 1 2 234.307 0.951 20 0 BCADLO CC(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071359752 711190208 /nfs/dbraw/zinc/19/02/08/711190208.db2.gz ZSOMQTZOEYDDNH-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071359752 711190206 /nfs/dbraw/zinc/19/02/06/711190206.db2.gz ZSOMQTZOEYDDNH-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CNc1cc(NC[C@@H]2CC[C@@H](C)O2)[nH+]cn1 ZINC000397904203 711395229 /nfs/dbraw/zinc/39/52/29/711395229.db2.gz DDQLJHFCFQSSGS-BDAKNGLRSA-N 1 2 222.292 0.920 20 0 BCADLO Cc1cc(NC(=O)CN2CCOC2=O)cc[nH+]1 ZINC000074687832 711448504 /nfs/dbraw/zinc/44/85/04/711448504.db2.gz SQTAMMVEBADYKC-UHFFFAOYSA-N 1 2 235.243 0.781 20 0 BCADLO CC(=O)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949267447 711453370 /nfs/dbraw/zinc/45/33/70/711453370.db2.gz WBSLKXIBIPRYSR-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO CC(=O)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949267447 711453372 /nfs/dbraw/zinc/45/33/72/711453372.db2.gz WBSLKXIBIPRYSR-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1COC[C@@H]1C)C1CC1 ZINC000711031946 711455082 /nfs/dbraw/zinc/45/50/82/711455082.db2.gz FRDGLVFMDPFOPD-UJNFCWOMSA-N 1 2 213.277 0.563 20 0 BCADLO C[C@@H](c1ccco1)[N@H+](C)CCS(N)(=O)=O ZINC000077272443 711464654 /nfs/dbraw/zinc/46/46/54/711464654.db2.gz VBWHCROPDRSGOO-QMMMGPOBSA-N 1 2 232.305 0.561 20 0 BCADLO C[C@@H](c1ccco1)[N@@H+](C)CCS(N)(=O)=O ZINC000077272443 711464655 /nfs/dbraw/zinc/46/46/55/711464655.db2.gz VBWHCROPDRSGOO-QMMMGPOBSA-N 1 2 232.305 0.561 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nonc1C ZINC000070269530 711479381 /nfs/dbraw/zinc/47/93/81/711479381.db2.gz HILWTILGRUVHFC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nonc1C ZINC000070269530 711479384 /nfs/dbraw/zinc/47/93/84/711479384.db2.gz HILWTILGRUVHFC-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CNOC2)c(C)c[nH+]1 ZINC000926083900 711488172 /nfs/dbraw/zinc/48/81/72/711488172.db2.gz ROYKFMNRBNLXIG-VIFPVBQESA-N 1 2 236.275 0.145 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724220935 711571233 /nfs/dbraw/zinc/57/12/33/711571233.db2.gz FNFYCCWZCSGYHU-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724220935 711571235 /nfs/dbraw/zinc/57/12/35/711571235.db2.gz FNFYCCWZCSGYHU-DTWKUNHWSA-N 1 2 201.266 0.659 20 0 BCADLO CC(C)n1cc(C[NH2+]CC2(C)OCCO2)nn1 ZINC000716830026 711585067 /nfs/dbraw/zinc/58/50/67/711585067.db2.gz USCZHTYUGWCSMP-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO COCCN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724730410 711610217 /nfs/dbraw/zinc/61/02/17/711610217.db2.gz SKTMYNXBAVGONS-ZCFIWIBFSA-N 1 2 210.224 0.074 20 0 BCADLO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000724771558 711611869 /nfs/dbraw/zinc/61/18/69/711611869.db2.gz MCLYQGSBGKSLML-SFYZADRCSA-N 1 2 236.262 0.606 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1[nH]c(C)nc1C ZINC000724791445 711615153 /nfs/dbraw/zinc/61/51/53/711615153.db2.gz HJVVRXIGOYMTQN-UHFFFAOYSA-N 1 2 224.308 0.594 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC000724887765 711625888 /nfs/dbraw/zinc/62/58/88/711625888.db2.gz ULOZOGFEDFGBLN-GHMZBOCLSA-N 1 2 237.303 0.679 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724892079 711626021 /nfs/dbraw/zinc/62/60/21/711626021.db2.gz UDBZDGCZMGUBKW-NXEZZACHSA-N 1 2 240.307 0.192 20 0 BCADLO C(C[NH+]1CCOCC1)O[C@@H]1CCOC1 ZINC000724934009 711630385 /nfs/dbraw/zinc/63/03/85/711630385.db2.gz HIAWJCNTCOPGMJ-SNVBAGLBSA-N 1 2 201.266 0.124 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCO[C@@H]1CCOC1 ZINC000724959806 711634496 /nfs/dbraw/zinc/63/44/96/711634496.db2.gz KVMIUAFJBDTBJE-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCO[C@@H]1CCOC1 ZINC000724959806 711634498 /nfs/dbraw/zinc/63/44/98/711634498.db2.gz KVMIUAFJBDTBJE-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461073 711717828 /nfs/dbraw/zinc/71/78/28/711717828.db2.gz QGYPRKQRYYDKLL-VXNVDRBHSA-N 1 2 248.286 0.134 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461073 711717830 /nfs/dbraw/zinc/71/78/30/711717830.db2.gz QGYPRKQRYYDKLL-VXNVDRBHSA-N 1 2 248.286 0.134 20 0 BCADLO Cc1nnc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]1 ZINC000931462031 711720152 /nfs/dbraw/zinc/72/01/52/711720152.db2.gz JCWUDMOOYKXRKE-SSDOTTSWSA-N 1 2 232.291 0.956 20 0 BCADLO Cc1nnc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]1 ZINC000931462031 711720153 /nfs/dbraw/zinc/72/01/53/711720153.db2.gz JCWUDMOOYKXRKE-SSDOTTSWSA-N 1 2 232.291 0.956 20 0 BCADLO COC(C)(C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000928586893 711780111 /nfs/dbraw/zinc/78/01/11/711780111.db2.gz BISFUENGVVMDEG-MRVPVSSYSA-N 1 2 225.292 0.882 20 0 BCADLO O=C(C=C1CCC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076869070 711809773 /nfs/dbraw/zinc/80/97/73/711809773.db2.gz OPRONUHVOGTUTI-GHMZBOCLSA-N 1 2 242.294 0.228 20 0 BCADLO O=C(C=C1CCC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076869070 711809774 /nfs/dbraw/zinc/80/97/74/711809774.db2.gz OPRONUHVOGTUTI-GHMZBOCLSA-N 1 2 242.294 0.228 20 0 BCADLO Cn1cc([C@@H]2CN(C(=O)C3CC3)CC[NH2+]2)cn1 ZINC000913474506 711822551 /nfs/dbraw/zinc/82/25/51/711822551.db2.gz CEWSTXWVGURNFB-NSHDSACASA-N 1 2 234.303 0.303 20 0 BCADLO CCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913474574 711822593 /nfs/dbraw/zinc/82/25/93/711822593.db2.gz DUXKVEVXCFDLQQ-SNVBAGLBSA-N 1 2 222.292 0.303 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC=CCC1 ZINC001030099880 711826384 /nfs/dbraw/zinc/82/63/84/711826384.db2.gz YKDQCUFZZMLKQF-JTQLQIEISA-N 1 2 224.304 0.135 20 0 BCADLO CC(=O)CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000057517422 711826789 /nfs/dbraw/zinc/82/67/89/711826789.db2.gz BESTYDZRAMECFF-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cnn(CC)n2)C1 ZINC001030275887 711829974 /nfs/dbraw/zinc/82/99/74/711829974.db2.gz TUIRVRFLWXQSAR-UHFFFAOYSA-N 1 2 237.307 0.122 20 0 BCADLO CCCCOC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000228719268 711835803 /nfs/dbraw/zinc/83/58/03/711835803.db2.gz YOUZNZILUFODMP-NXEZZACHSA-N 1 2 217.309 0.936 20 0 BCADLO CCOCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000170617262 711836961 /nfs/dbraw/zinc/83/69/61/711836961.db2.gz YVIZASFOFAKELT-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CCOCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000170617262 711836962 /nfs/dbraw/zinc/83/69/62/711836962.db2.gz YVIZASFOFAKELT-SECBINFHSA-N 1 2 219.256 0.610 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnnc2C)C1 ZINC001030616740 711838200 /nfs/dbraw/zinc/83/82/00/711838200.db2.gz GTRPSJKRLJOFIS-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO Cn1c[nH+]c(CCNc2ncccn2)c1 ZINC000313468157 711855744 /nfs/dbraw/zinc/85/57/44/711855744.db2.gz JLEOUNSYQBKEAT-UHFFFAOYSA-N 1 2 203.249 0.865 20 0 BCADLO Cc1nc(NCC[C@@]2(O)CCOC2)cc[nH+]1 ZINC000404153364 711909295 /nfs/dbraw/zinc/90/92/95/711909295.db2.gz RHEDNQDPZUXAQJ-LLVKDONJSA-N 1 2 223.276 0.160 20 0 BCADLO C[C@H](C(=O)N(C)C1C[NH+](CCO)C1)C1CCC1 ZINC001043052643 711931558 /nfs/dbraw/zinc/93/15/58/711931558.db2.gz SUQIPRJWFFMCSG-JTQLQIEISA-N 1 2 240.347 0.558 20 0 BCADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)nn1C ZINC000085987177 711956871 /nfs/dbraw/zinc/95/68/71/711956871.db2.gz JXRKRYKYISZEEH-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000700166496 711987526 /nfs/dbraw/zinc/98/75/26/711987526.db2.gz HKCZPVKIJXMJHJ-SNVBAGLBSA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)=CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000700166496 711987524 /nfs/dbraw/zinc/98/75/24/711987524.db2.gz HKCZPVKIJXMJHJ-SNVBAGLBSA-N 1 2 212.293 0.399 20 0 BCADLO CN(C(=O)C(C)(C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033604002 712007228 /nfs/dbraw/zinc/00/72/28/712007228.db2.gz QRNCTUCCHZIXOX-SECBINFHSA-N 1 2 241.335 0.051 20 0 BCADLO CN(C(=O)C(C)(C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033604002 712007231 /nfs/dbraw/zinc/00/72/31/712007231.db2.gz QRNCTUCCHZIXOX-SECBINFHSA-N 1 2 241.335 0.051 20 0 BCADLO CNc1cc(NC[C@]2(O)CCSC2)[nH+]cn1 ZINC000702305952 712044062 /nfs/dbraw/zinc/04/40/62/712044062.db2.gz JDXLNUNCFOMZOX-SNVBAGLBSA-N 1 2 240.332 0.798 20 0 BCADLO CNc1cc(NC[C@H](C)S(C)(=O)=O)[nH+]cn1 ZINC000704768818 712115784 /nfs/dbraw/zinc/11/57/84/712115784.db2.gz CLRFTMADKWPIKL-ZETCQYMHSA-N 1 2 244.320 0.363 20 0 BCADLO COC(=O)c1cc(NCc2c[nH+]cn2C)ncn1 ZINC000705834055 712136413 /nfs/dbraw/zinc/13/64/13/712136413.db2.gz VIRZEJCAYGGJNP-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Fc1nccnc1N1CC(n2cc[nH+]c2)C1 ZINC000707112578 712165686 /nfs/dbraw/zinc/16/56/86/712165686.db2.gz FDOGPLWOVMOOGT-UHFFFAOYSA-N 1 2 219.223 0.874 20 0 BCADLO CN(OCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000707497865 712172719 /nfs/dbraw/zinc/17/27/19/712172719.db2.gz ZIKBTLWMJRHRMY-UHFFFAOYSA-N 1 2 237.181 0.835 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)sn1 ZINC000708623661 712195626 /nfs/dbraw/zinc/19/56/26/712195626.db2.gz NQRLSZAFQYCNBQ-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)sn1 ZINC000708623661 712195627 /nfs/dbraw/zinc/19/56/27/712195627.db2.gz NQRLSZAFQYCNBQ-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709968141 712236128 /nfs/dbraw/zinc/23/61/28/712236128.db2.gz HUCYCJKFBHFOMP-VIFPVBQESA-N 1 2 224.308 0.597 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000710965411 712269451 /nfs/dbraw/zinc/26/94/51/712269451.db2.gz HZUVPPPRRAIYDL-VIFPVBQESA-N 1 2 226.280 0.056 20 0 BCADLO CS(=O)(=O)CC[NH2+]Cc1nccn1C1CC1 ZINC000711747229 712322929 /nfs/dbraw/zinc/32/29/29/712322929.db2.gz RFKJAETZPZXYTK-UHFFFAOYSA-N 1 2 243.332 0.352 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C=CCC1 ZINC000711759024 712326472 /nfs/dbraw/zinc/32/64/72/712326472.db2.gz JNVYRTGCPATKRG-SNVBAGLBSA-N 1 2 205.261 0.966 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711803834 712331621 /nfs/dbraw/zinc/33/16/21/712331621.db2.gz WAZRENMMXBSGIZ-UHFFFAOYSA-N 1 2 236.319 0.832 20 0 BCADLO O=C(NCCO)C1CCN(c2cccc[nH+]2)CC1 ZINC000711867976 712336926 /nfs/dbraw/zinc/33/69/26/712336926.db2.gz BHBGMGHBHFVBLQ-UHFFFAOYSA-N 1 2 249.314 0.407 20 0 BCADLO CC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001062862157 712342185 /nfs/dbraw/zinc/34/21/85/712342185.db2.gz NNRKUPFYXIBHCO-NSHDSACASA-N 1 2 234.303 0.842 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001079323642 712346291 /nfs/dbraw/zinc/34/62/91/712346291.db2.gz WQOCQWWBXAWKEL-LDYMZIIASA-N 1 2 223.276 0.631 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001079323642 712346292 /nfs/dbraw/zinc/34/62/92/712346292.db2.gz WQOCQWWBXAWKEL-LDYMZIIASA-N 1 2 223.276 0.631 20 0 BCADLO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1=O ZINC000378660207 712356300 /nfs/dbraw/zinc/35/63/00/712356300.db2.gz ALXNJQLGHWWSMX-AEJSXWLSSA-N 1 2 213.277 0.849 20 0 BCADLO CCCn1cc(C[NH2+]CC(=O)N(C)CC)nn1 ZINC000714458260 712490730 /nfs/dbraw/zinc/49/07/30/712490730.db2.gz JSBLCVZUQALSHE-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cn(C)nn1 ZINC000715875881 712538506 /nfs/dbraw/zinc/53/85/06/712538506.db2.gz ITGXMBOIODJPDK-IUCAKERBSA-N 1 2 237.307 0.134 20 0 BCADLO CCOC[C@@H]([NH2+][C@H]1CCOC1=O)C(C)C ZINC000379928724 712631516 /nfs/dbraw/zinc/63/15/16/712631516.db2.gz NBAWMVKNOPNTPI-VHSXEESVSA-N 1 2 215.293 0.953 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000380013872 712670018 /nfs/dbraw/zinc/67/00/18/712670018.db2.gz SOUUPOGIYNMREA-WPRPVWTQSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1c1[nH+]cnc2c1cnn2C ZINC000385042831 712708027 /nfs/dbraw/zinc/70/80/27/712708027.db2.gz RLWLMBCXFOTTEA-PSASIEDQSA-N 1 2 247.302 0.713 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000718406881 712759393 /nfs/dbraw/zinc/75/93/93/712759393.db2.gz RUXVLOJKYJFYCZ-VHSXEESVSA-N 1 2 212.293 0.185 20 0 BCADLO Cc1nc(NC2CC(CC(N)=O)C2)cc[nH+]1 ZINC000718406043 712759588 /nfs/dbraw/zinc/75/95/88/712759588.db2.gz QALWQHOEKCOTAL-UHFFFAOYSA-N 1 2 220.276 0.851 20 0 BCADLO Cc1coc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000718428602 712761142 /nfs/dbraw/zinc/76/11/42/712761142.db2.gz FLDWVYGXHGFWJK-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cc1coc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000718428602 712761144 /nfs/dbraw/zinc/76/11/44/712761144.db2.gz FLDWVYGXHGFWJK-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO CC(C)[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038679834 712883299 /nfs/dbraw/zinc/88/32/99/712883299.db2.gz OQJLOZBPYBFLNY-QMMMGPOBSA-N 1 2 240.282 0.761 20 0 BCADLO CC(C)[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038679834 712883300 /nfs/dbraw/zinc/88/33/00/712883300.db2.gz OQJLOZBPYBFLNY-QMMMGPOBSA-N 1 2 240.282 0.761 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1nccnc1C ZINC001037980394 712895945 /nfs/dbraw/zinc/89/59/45/712895945.db2.gz KXRPFUVCMBCAKK-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1nccnc1C ZINC001037980394 712895946 /nfs/dbraw/zinc/89/59/46/712895946.db2.gz KXRPFUVCMBCAKK-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001037982486 712896123 /nfs/dbraw/zinc/89/61/23/712896123.db2.gz YWYUYSMKARQSBN-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001037982486 712896125 /nfs/dbraw/zinc/89/61/25/712896125.db2.gz YWYUYSMKARQSBN-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCOC1 ZINC000385136812 398135748 /nfs/dbraw/zinc/13/57/48/398135748.db2.gz GZLALSDDNODKJC-SECBINFHSA-N 1 2 238.291 0.491 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)no1 ZINC000408021332 136209074 /nfs/dbraw/zinc/20/90/74/136209074.db2.gz HOSRIDUEIWTPDY-MRVPVSSYSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)no1 ZINC000408021332 136209075 /nfs/dbraw/zinc/20/90/75/136209075.db2.gz HOSRIDUEIWTPDY-MRVPVSSYSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)no1 ZINC000408021333 136209118 /nfs/dbraw/zinc/20/91/18/136209118.db2.gz HOSRIDUEIWTPDY-QMMMGPOBSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)no1 ZINC000408021333 136209119 /nfs/dbraw/zinc/20/91/19/136209119.db2.gz HOSRIDUEIWTPDY-QMMMGPOBSA-N 1 2 224.264 0.226 20 0 BCADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000407947926 136207324 /nfs/dbraw/zinc/20/73/24/136207324.db2.gz LPLLUWINIBBRGD-SECBINFHSA-N 1 2 210.281 0.632 20 0 BCADLO Cc1nnc([C@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000407947926 136207325 /nfs/dbraw/zinc/20/73/25/136207325.db2.gz LPLLUWINIBBRGD-SECBINFHSA-N 1 2 210.281 0.632 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)n1 ZINC000407948432 136207337 /nfs/dbraw/zinc/20/73/37/136207337.db2.gz HLRMQVMLZQATSI-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)n1 ZINC000407948432 136207338 /nfs/dbraw/zinc/20/73/38/136207338.db2.gz HLRMQVMLZQATSI-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000287344875 398142673 /nfs/dbraw/zinc/14/26/73/398142673.db2.gz GMZAGRDIYSNXNW-MRVPVSSYSA-N 1 2 210.281 0.539 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000378713299 346811789 /nfs/dbraw/zinc/81/17/89/346811789.db2.gz VXZGLVAPILCBFW-APPZFPTMSA-N 1 2 201.266 0.563 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H](C)CCO)o1 ZINC000649864793 398146350 /nfs/dbraw/zinc/14/63/50/398146350.db2.gz JWGMCZZHUPFVGL-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H](C)CCO)o1 ZINC000649864793 398146352 /nfs/dbraw/zinc/14/63/52/398146352.db2.gz JWGMCZZHUPFVGL-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)no1 ZINC000375239733 177995790 /nfs/dbraw/zinc/99/57/90/177995790.db2.gz VMEMBQKONSZIFG-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)no1 ZINC000375239733 177995792 /nfs/dbraw/zinc/99/57/92/177995792.db2.gz VMEMBQKONSZIFG-GFCCVEGCSA-N 1 2 237.303 0.499 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000299678881 398151564 /nfs/dbraw/zinc/15/15/64/398151564.db2.gz RCRFWXYPJACVRL-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@H](C)CCO ZINC000649870985 398153424 /nfs/dbraw/zinc/15/34/24/398153424.db2.gz PBENWEJKJSUMLQ-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@H](C)CCO ZINC000649870985 398153425 /nfs/dbraw/zinc/15/34/25/398153425.db2.gz PBENWEJKJSUMLQ-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@@H](C)CCO ZINC000649870984 398153446 /nfs/dbraw/zinc/15/34/46/398153446.db2.gz PBENWEJKJSUMLQ-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649870984 398153451 /nfs/dbraw/zinc/15/34/51/398153451.db2.gz PBENWEJKJSUMLQ-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)n(C)n1 ZINC000356139927 178011198 /nfs/dbraw/zinc/01/11/98/178011198.db2.gz MPINFMUZZQFXKT-UHFFFAOYSA-N 1 2 247.302 0.701 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cnc(C)s1 ZINC000339356520 398155228 /nfs/dbraw/zinc/15/52/28/398155228.db2.gz GNWHJEYPPLFFMY-SECBINFHSA-N 1 2 243.332 0.384 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cnc(C)s1 ZINC000339356520 398155229 /nfs/dbraw/zinc/15/52/29/398155229.db2.gz GNWHJEYPPLFFMY-SECBINFHSA-N 1 2 243.332 0.384 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cncc(C)c1 ZINC000339357013 398155282 /nfs/dbraw/zinc/15/52/82/398155282.db2.gz DIVBFXZMXHXMNA-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cncc(C)c1 ZINC000339357013 398155284 /nfs/dbraw/zinc/15/52/84/398155284.db2.gz DIVBFXZMXHXMNA-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COCc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649869941 398156971 /nfs/dbraw/zinc/15/69/71/398156971.db2.gz QKWKOENMPTWZIU-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649869941 398156973 /nfs/dbraw/zinc/15/69/73/398156973.db2.gz QKWKOENMPTWZIU-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO COC(=O)C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339764846 398167646 /nfs/dbraw/zinc/16/76/46/398167646.db2.gz VILJBUNKMZCTMG-NWDGAFQWSA-N 1 2 243.303 0.069 20 0 BCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)OC ZINC000067653341 349515817 /nfs/dbraw/zinc/51/58/17/349515817.db2.gz XUJININXOFASCC-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)OC ZINC000067653341 349515819 /nfs/dbraw/zinc/51/58/19/349515819.db2.gz XUJININXOFASCC-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649903194 398173199 /nfs/dbraw/zinc/17/31/99/398173199.db2.gz KSFKEIKVXYJSIY-MRVPVSSYSA-N 1 2 229.234 0.441 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649903194 398173200 /nfs/dbraw/zinc/17/32/00/398173200.db2.gz KSFKEIKVXYJSIY-MRVPVSSYSA-N 1 2 229.234 0.441 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)OC ZINC000105682430 398177507 /nfs/dbraw/zinc/17/75/07/398177507.db2.gz MNYCVNMDAQMXPL-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)OC ZINC000105682430 398177510 /nfs/dbraw/zinc/17/75/10/398177510.db2.gz MNYCVNMDAQMXPL-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOC ZINC000113003686 398180311 /nfs/dbraw/zinc/18/03/11/398180311.db2.gz RIZDAHVRABBSHY-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOC ZINC000113003686 398180314 /nfs/dbraw/zinc/18/03/14/398180314.db2.gz RIZDAHVRABBSHY-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882793 398163760 /nfs/dbraw/zinc/16/37/60/398163760.db2.gz CKYCZZGUUPSGKA-PWSUYJOCSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882793 398163764 /nfs/dbraw/zinc/16/37/64/398163764.db2.gz CKYCZZGUUPSGKA-PWSUYJOCSA-N 1 2 239.319 0.564 20 0 BCADLO Cc1[nH]c(CN(C)CC(=O)N(C)C)[nH+]c1C ZINC000628120594 398166549 /nfs/dbraw/zinc/16/65/49/398166549.db2.gz UUNGMIVVQWDHPZ-UHFFFAOYSA-N 1 2 224.308 0.547 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cn(C)nn1 ZINC000342053685 398187748 /nfs/dbraw/zinc/18/77/48/398187748.db2.gz SNBNXOUNTSXMFG-UHFFFAOYSA-N 1 2 217.232 0.193 20 0 BCADLO Cc1cc(N(C)CC(N)=O)nc(C(C)C)[nH+]1 ZINC000301115781 178097613 /nfs/dbraw/zinc/09/76/13/178097613.db2.gz QHZFFWLHVHGZOI-UHFFFAOYSA-N 1 2 222.292 0.830 20 0 BCADLO Cc1cc(N(C)CCS(C)(=O)=O)nc[nH+]1 ZINC000301247078 178098872 /nfs/dbraw/zinc/09/88/72/178098872.db2.gz LNWGWWIICQXGPJ-UHFFFAOYSA-N 1 2 229.305 0.266 20 0 BCADLO Cc1cc(N(C)Cc2nc[nH]n2)nc(C)[nH+]1 ZINC000267940368 178100771 /nfs/dbraw/zinc/10/07/71/178100771.db2.gz ZKHBODRVJWNFTO-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO Cc1cc(N(C)Cc2nnc[nH]2)nc(C)[nH+]1 ZINC000267940368 178100773 /nfs/dbraw/zinc/10/07/73/178100773.db2.gz ZKHBODRVJWNFTO-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO Cc1cc(N(CCO)[C@H]2CCO[C@H]2C)nc[nH+]1 ZINC000360270356 178102080 /nfs/dbraw/zinc/10/20/80/178102080.db2.gz ZBKIMALWMSYSKX-QWRGUYRKSA-N 1 2 237.303 0.761 20 0 BCADLO Cc1cc(N(CCO)[C@@H]2CCO[C@@H]2C)nc[nH+]1 ZINC000360270354 178102668 /nfs/dbraw/zinc/10/26/68/178102668.db2.gz ZBKIMALWMSYSKX-GHMZBOCLSA-N 1 2 237.303 0.761 20 0 BCADLO CCN(CC(N)=O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649956269 398196882 /nfs/dbraw/zinc/19/68/82/398196882.db2.gz KIDKSEGPQMMJPH-VIFPVBQESA-N 1 2 238.291 0.168 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000649393198 398198402 /nfs/dbraw/zinc/19/84/02/398198402.db2.gz QNZBZISDZIOQPG-JTQLQIEISA-N 1 2 209.293 0.929 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000649393198 398198404 /nfs/dbraw/zinc/19/84/04/398198404.db2.gz QNZBZISDZIOQPG-JTQLQIEISA-N 1 2 209.293 0.929 20 0 BCADLO CO[C@@H]1C[NH+]([C@@H](C)c2nnc(C)[nH]2)C[C@H]1OC ZINC000408464408 398198942 /nfs/dbraw/zinc/19/89/42/398198942.db2.gz GEHIZINDWLFZBI-FXBDTBDDSA-N 1 2 240.307 0.520 20 0 BCADLO Cc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000301251938 178116215 /nfs/dbraw/zinc/11/62/15/178116215.db2.gz JHXPLKFIHNCLCZ-QMMMGPOBSA-N 1 2 206.249 0.239 20 0 BCADLO CC[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398340862 398200880 /nfs/dbraw/zinc/20/08/80/398200880.db2.gz MXPSZYPVKSSYTF-WCBMZHEXSA-N 1 2 210.281 0.852 20 0 BCADLO CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081559608 136219172 /nfs/dbraw/zinc/21/91/72/136219172.db2.gz QOFBXMMAPKSVOB-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO Cc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000228161417 178119478 /nfs/dbraw/zinc/11/94/78/178119478.db2.gz VVDCQJSCCFCMPJ-UWVGGRQHSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2C[C@H](CO)[C@H](C)C2)nc[nH+]1 ZINC000357674465 178120869 /nfs/dbraw/zinc/12/08/69/178120869.db2.gz OEYLKARAZUZHRP-PSASIEDQSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1cc(N2C[C@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000357674467 178121386 /nfs/dbraw/zinc/12/13/86/178121386.db2.gz OEYLKARAZUZHRP-WPRPVWTQSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1cc(N2C[C@@H](O)C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000185992135 178121637 /nfs/dbraw/zinc/12/16/37/178121637.db2.gz IXKVZVCNOGVPFU-QWRGUYRKSA-N 1 2 249.314 0.594 20 0 BCADLO C[C@H](O)[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000162673892 538924216 /nfs/dbraw/zinc/92/42/16/538924216.db2.gz HDCIPZDVKYJXMI-IUCAKERBSA-N 1 2 247.302 0.570 20 0 BCADLO Cc1nnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)[nH]1 ZINC000292660132 398202937 /nfs/dbraw/zinc/20/29/37/398202937.db2.gz BANKYZZTRWCSMX-MRVPVSSYSA-N 1 2 225.296 0.103 20 0 BCADLO Cc1cc(NC(=O)C(=O)NCC2CC2)cc[nH+]1 ZINC000276563151 178123565 /nfs/dbraw/zinc/12/35/65/178123565.db2.gz TVUIIDRCUWJKQS-UHFFFAOYSA-N 1 2 233.271 0.855 20 0 BCADLO Cc1cc(NC(=O)CS(C)(=O)=O)cc[nH+]1 ZINC000299101634 178132209 /nfs/dbraw/zinc/13/22/09/178132209.db2.gz RTUKDRLJMGDZHO-UHFFFAOYSA-N 1 2 228.273 0.373 20 0 BCADLO Cc1cc(NC(=O)COCc2[nH]cc[nH+]2)no1 ZINC000123723818 178132653 /nfs/dbraw/zinc/13/26/53/178132653.db2.gz IOQTXLMFUVUBMC-UHFFFAOYSA-N 1 2 236.231 0.861 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000271171706 178140618 /nfs/dbraw/zinc/14/06/18/178140618.db2.gz YCYGGALWZFPRAH-SNVBAGLBSA-N 1 2 248.286 0.742 20 0 BCADLO Cc1cc(NC(=O)NN2CCCNC2=O)cc[nH+]1 ZINC000276499344 178141402 /nfs/dbraw/zinc/14/14/02/178141402.db2.gz BNQHAKKXYDBXKU-UHFFFAOYSA-N 1 2 249.274 0.842 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)ccn1 ZINC000081386623 178145462 /nfs/dbraw/zinc/14/54/62/178145462.db2.gz HAZPYXLHWLCUQN-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccn1 ZINC000081386623 178145464 /nfs/dbraw/zinc/14/54/64/178145464.db2.gz HAZPYXLHWLCUQN-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCC[C@H]1O ZINC000426214021 398216141 /nfs/dbraw/zinc/21/61/41/398216141.db2.gz DRDKFZNXLINOHR-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCC[C@H]1O ZINC000426214021 398216144 /nfs/dbraw/zinc/21/61/44/398216144.db2.gz DRDKFZNXLINOHR-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)S(C)(=O)=O)cc[nH+]1 ZINC000120344794 178147088 /nfs/dbraw/zinc/14/70/88/178147088.db2.gz QWHRMVJXJLSAKD-QMMMGPOBSA-N 1 2 242.300 0.762 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)ccn1 ZINC000074933196 178149415 /nfs/dbraw/zinc/14/94/15/178149415.db2.gz WAJXWBMLBCUQCF-SECBINFHSA-N 1 2 223.301 0.991 20 0 BCADLO Cc1cc(NC(C)(CO)CO)nc(C2CC2)[nH+]1 ZINC000267731186 178153187 /nfs/dbraw/zinc/15/31/87/178153187.db2.gz UNJISZOZWDKVDT-UHFFFAOYSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1cc(NCC(=O)NCC2CC2)nc[nH+]1 ZINC000302076169 178154131 /nfs/dbraw/zinc/15/41/31/178154131.db2.gz WIKZZHAJMRRZOO-UHFFFAOYSA-N 1 2 220.276 0.723 20 0 BCADLO Cc1cc(NCCCc2nc(=O)[nH][nH]2)nc(C)[nH+]1 ZINC000301568718 178159738 /nfs/dbraw/zinc/15/97/38/178159738.db2.gz XBZVVJZCOOGCIB-UHFFFAOYSA-N 1 2 248.290 0.550 20 0 BCADLO Cc1cc(NCc2nnc3n2CCC3)nc[nH+]1 ZINC000301252806 178176220 /nfs/dbraw/zinc/17/62/20/178176220.db2.gz QFYBGAJLFXLRNP-UHFFFAOYSA-N 1 2 230.275 0.935 20 0 BCADLO Cc1cc(NCc2[nH]cc[nH+]2)n(CCO)n1 ZINC000309872620 178176965 /nfs/dbraw/zinc/17/69/65/178176965.db2.gz RGHDDSOWUZHMCO-UHFFFAOYSA-N 1 2 221.264 0.519 20 0 BCADLO Cc1nc(CN2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000428214423 398222741 /nfs/dbraw/zinc/22/27/41/398222741.db2.gz ZDJCSBULPRIFAP-UHFFFAOYSA-N 1 2 235.335 0.783 20 0 BCADLO COCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428217675 398222962 /nfs/dbraw/zinc/22/29/62/398222962.db2.gz KDDYFZSOYJBCRE-UHFFFAOYSA-N 1 2 224.308 0.972 20 0 BCADLO Cc1cc(N[C@@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000301839959 178180294 /nfs/dbraw/zinc/18/02/94/178180294.db2.gz XTWVVNKQASAITF-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO Cc1cc(N[C@@H](CO)[C@H]2CCCO2)nc[nH+]1 ZINC000309858316 178181145 /nfs/dbraw/zinc/18/11/45/178181145.db2.gz LLJAUJUHCAEABZ-VHSXEESVSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(N[C@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302755570 178190662 /nfs/dbraw/zinc/19/06/62/178190662.db2.gz ILTKKIAZISKOGJ-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO C[C@H](CC(=O)N1CCO[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC000650048983 398226666 /nfs/dbraw/zinc/22/66/66/398226666.db2.gz MNVUGXOPYNIAMF-OUAUKWLOSA-N 1 2 235.287 0.834 20 0 BCADLO CO[C@@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000381143008 398227275 /nfs/dbraw/zinc/22/72/75/398227275.db2.gz JTLXIWQHKHVQLH-QMMMGPOBSA-N 1 2 225.296 0.097 20 0 BCADLO CO[C@@H](CNc1nc(N)nc(C)[nH+]1)C(C)C ZINC000381143008 398227277 /nfs/dbraw/zinc/22/72/77/398227277.db2.gz JTLXIWQHKHVQLH-QMMMGPOBSA-N 1 2 225.296 0.097 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276513208 538932982 /nfs/dbraw/zinc/93/29/82/538932982.db2.gz BNCKYJKZEMDIDR-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276513208 538932983 /nfs/dbraw/zinc/93/29/83/538932983.db2.gz BNCKYJKZEMDIDR-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1nncs1 ZINC000276639965 538933311 /nfs/dbraw/zinc/93/33/11/538933311.db2.gz QPFMYPSVEUUKLJ-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1nncs1 ZINC000276639965 538933312 /nfs/dbraw/zinc/93/33/12/538933312.db2.gz QPFMYPSVEUUKLJ-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO C[C@H]1COCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000432437611 398236942 /nfs/dbraw/zinc/23/69/42/398236942.db2.gz RTUBOOQBLJKELV-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO COc1n[nH]c(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000281057884 538938515 /nfs/dbraw/zinc/93/85/15/538938515.db2.gz CABKOMHNKZWXJB-UHFFFAOYSA-N 1 2 236.235 0.108 20 0 BCADLO COc1n[nH]c(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000281057884 538938517 /nfs/dbraw/zinc/93/85/17/538938517.db2.gz CABKOMHNKZWXJB-UHFFFAOYSA-N 1 2 236.235 0.108 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281440527 538939233 /nfs/dbraw/zinc/93/92/33/538939233.db2.gz CNMOTOXLQXYQFI-VUDBWIFFSA-N 1 2 237.303 0.786 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281440527 538939234 /nfs/dbraw/zinc/93/92/34/538939234.db2.gz CNMOTOXLQXYQFI-VUDBWIFFSA-N 1 2 237.303 0.786 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCC[C@H](C)C1 ZINC000191714503 398244220 /nfs/dbraw/zinc/24/42/20/398244220.db2.gz JUJVWYDBGNSNCS-JTQLQIEISA-N 1 2 241.335 0.052 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@H](C)C1 ZINC000191714503 398244225 /nfs/dbraw/zinc/24/42/25/398244225.db2.gz JUJVWYDBGNSNCS-JTQLQIEISA-N 1 2 241.335 0.052 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000285494513 538941476 /nfs/dbraw/zinc/94/14/76/538941476.db2.gz CHIRCOFQOAQGPT-MRVPVSSYSA-N 1 2 210.281 0.587 20 0 BCADLO COC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097396 398248790 /nfs/dbraw/zinc/24/87/90/398248790.db2.gz IAPFTOYADGMABN-UHFFFAOYSA-N 1 2 201.266 0.444 20 0 BCADLO CC[N@H+](CCO)[C@H](C)c1nnnn1C1CC1 ZINC000191992449 398247027 /nfs/dbraw/zinc/24/70/27/398247027.db2.gz HKMZCZYYAIOCEQ-MRVPVSSYSA-N 1 2 225.296 0.383 20 0 BCADLO CC[N@@H+](CCO)[C@H](C)c1nnnn1C1CC1 ZINC000191992449 398247032 /nfs/dbraw/zinc/24/70/32/398247032.db2.gz HKMZCZYYAIOCEQ-MRVPVSSYSA-N 1 2 225.296 0.383 20 0 BCADLO CC[C@H](C)[C@@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000381272444 398249694 /nfs/dbraw/zinc/24/96/94/398249694.db2.gz IEYOTFFNAGXDRE-DTWKUNHWSA-N 1 2 227.312 0.361 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291247099 538947564 /nfs/dbraw/zinc/94/75/64/538947564.db2.gz OQJPIMNZUNSDRF-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000290192872 538946065 /nfs/dbraw/zinc/94/60/65/538946065.db2.gz MCSGDXQNBPRFDK-SECBINFHSA-N 1 2 222.292 0.972 20 0 BCADLO C[C@@H]([NH2+]Cc1nc2ccccc2o1)C(N)=O ZINC000381458813 398258124 /nfs/dbraw/zinc/25/81/24/398258124.db2.gz JBPARMDOUXVYBC-SSDOTTSWSA-N 1 2 219.244 0.791 20 0 BCADLO COc1cc(OC)nc(NCc2c[nH+]cn2C)n1 ZINC000291072694 538946820 /nfs/dbraw/zinc/94/68/20/538946820.db2.gz HCZGCCPUPGAUOF-UHFFFAOYSA-N 1 2 249.274 0.839 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290648294 538946889 /nfs/dbraw/zinc/94/68/89/538946889.db2.gz INGSYXAZCSXNBS-BDAKNGLRSA-N 1 2 222.292 0.875 20 0 BCADLO CCOCCC(=O)NCc1c[nH+]cn1C ZINC000291124931 538947770 /nfs/dbraw/zinc/94/77/70/538947770.db2.gz DQMAIKPQDYDGMW-UHFFFAOYSA-N 1 2 211.265 0.463 20 0 BCADLO Cc1noc(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291217097 538947350 /nfs/dbraw/zinc/94/73/50/538947350.db2.gz MNNATLSDJRYLMH-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO C[C@@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)N1C1CC1 ZINC000291199630 538947456 /nfs/dbraw/zinc/94/74/56/538947456.db2.gz UHDMZFYZQLRIAL-MRVPVSSYSA-N 1 2 248.286 0.735 20 0 BCADLO Cc1ccc(=O)n(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000356109429 178361463 /nfs/dbraw/zinc/36/14/63/178361463.db2.gz LABURVPVQXTEHX-TXEJJXNPSA-N 1 2 249.314 0.415 20 0 BCADLO Cc1ccc(=O)n(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000356109429 178361466 /nfs/dbraw/zinc/36/14/66/178361466.db2.gz LABURVPVQXTEHX-TXEJJXNPSA-N 1 2 249.314 0.415 20 0 BCADLO C[C@@H](O)C[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CO ZINC000190839126 398264433 /nfs/dbraw/zinc/26/44/33/398264433.db2.gz BFRSOTPTUAWOOE-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@@H](O)C[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CO ZINC000190839126 398264436 /nfs/dbraw/zinc/26/44/36/398264436.db2.gz BFRSOTPTUAWOOE-VHSXEESVSA-N 1 2 247.335 0.392 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000576759584 365678581 /nfs/dbraw/zinc/67/85/81/365678581.db2.gz HSPSCHPNPGRSGX-VHSXEESVSA-N 1 2 223.276 0.427 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000527473927 262845662 /nfs/dbraw/zinc/84/56/62/262845662.db2.gz OSNQGGILEYOCEV-RKDXNWHRSA-N 1 2 207.277 0.972 20 0 BCADLO Cc1nnc(NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000083119610 349570367 /nfs/dbraw/zinc/57/03/67/349570367.db2.gz CWMLVMMGHJHNLO-SECBINFHSA-N 1 2 241.364 0.504 20 0 BCADLO Cc1nnc(NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000083119610 349570372 /nfs/dbraw/zinc/57/03/72/349570372.db2.gz CWMLVMMGHJHNLO-SECBINFHSA-N 1 2 241.364 0.504 20 0 BCADLO CCS(=O)(=O)C1CN(c2cc(C)[nH+]cn2)C1 ZINC000649467560 398267360 /nfs/dbraw/zinc/26/73/60/398267360.db2.gz DQLHSUATTVJPHR-UHFFFAOYSA-N 1 2 241.316 0.408 20 0 BCADLO Cc1ccc(C(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000049834526 178370020 /nfs/dbraw/zinc/37/00/20/178370020.db2.gz PHIYIBPHGZOEKM-UHFFFAOYSA-N 1 2 246.310 0.952 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2cnnn2C)CCO1 ZINC000626176988 346836444 /nfs/dbraw/zinc/83/64/44/346836444.db2.gz BTFPRMXNWCQEHT-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2cnnn2C)CCO1 ZINC000626176988 346836448 /nfs/dbraw/zinc/83/64/48/346836448.db2.gz BTFPRMXNWCQEHT-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO CCC(CC)([NH2+]CCOC)C(=O)OC ZINC000053258179 346849018 /nfs/dbraw/zinc/84/90/18/346849018.db2.gz HVIWTSNKJDNHTF-UHFFFAOYSA-N 1 2 203.282 0.954 20 0 BCADLO CCc1cc(N2CCN(C)C(=O)C2)nc(C)[nH+]1 ZINC000180437903 538958636 /nfs/dbraw/zinc/95/86/36/538958636.db2.gz NLXYMNLGDGHYPE-UHFFFAOYSA-N 1 2 234.303 0.626 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000335330579 136234513 /nfs/dbraw/zinc/23/45/13/136234513.db2.gz DIJFGUWTXIHNJA-SECBINFHSA-N 1 2 208.261 0.940 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000335330579 136234514 /nfs/dbraw/zinc/23/45/14/136234514.db2.gz DIJFGUWTXIHNJA-SECBINFHSA-N 1 2 208.261 0.940 20 0 BCADLO Cc1nc(=NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n(C)[nH]1 ZINC000629981875 361829247 /nfs/dbraw/zinc/82/92/47/361829247.db2.gz PIDFIFKANQBGRN-SSDOTTSWSA-N 1 2 248.290 0.086 20 0 BCADLO Cc1nc(=NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n(C)[nH]1 ZINC000629981875 361829250 /nfs/dbraw/zinc/82/92/50/361829250.db2.gz PIDFIFKANQBGRN-SSDOTTSWSA-N 1 2 248.290 0.086 20 0 BCADLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cnc[nH]1 ZINC000335574386 136235388 /nfs/dbraw/zinc/23/53/88/136235388.db2.gz NYUJIBMRHYMNRN-SNVBAGLBSA-N 1 2 236.319 0.966 20 0 BCADLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cnc[nH]1 ZINC000335574386 136235389 /nfs/dbraw/zinc/23/53/89/136235389.db2.gz NYUJIBMRHYMNRN-SNVBAGLBSA-N 1 2 236.319 0.966 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000616340003 342718043 /nfs/dbraw/zinc/71/80/43/342718043.db2.gz YJMIIPBSHLFOMO-PRFIWBCESA-N 1 2 249.314 0.553 20 0 BCADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)n1cccn1 ZINC000044667077 342691807 /nfs/dbraw/zinc/69/18/07/342691807.db2.gz SUDJSSHQQVOHHH-NSHDSACASA-N 1 2 247.302 0.847 20 0 BCADLO COC(=O)C(C)(C)CC[NH2+]Cc1c[nH]nn1 ZINC000600177372 342696570 /nfs/dbraw/zinc/69/65/70/342696570.db2.gz QAYLUNPWTZDWMX-UHFFFAOYSA-N 1 2 226.280 0.484 20 0 BCADLO COC(=O)C(C)(C)CC[NH2+]Cc1cn[nH]n1 ZINC000600177372 342696571 /nfs/dbraw/zinc/69/65/71/342696571.db2.gz QAYLUNPWTZDWMX-UHFFFAOYSA-N 1 2 226.280 0.484 20 0 BCADLO C[C@H](CSCCF)[NH2+]Cc1c[nH]nn1 ZINC000600176325 342696603 /nfs/dbraw/zinc/69/66/03/342696603.db2.gz HDAMYCZCYFSNES-SSDOTTSWSA-N 1 2 218.301 0.986 20 0 BCADLO C[C@H](CSCCF)[NH2+]Cc1cn[nH]n1 ZINC000600176325 342696604 /nfs/dbraw/zinc/69/66/04/342696604.db2.gz HDAMYCZCYFSNES-SSDOTTSWSA-N 1 2 218.301 0.986 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)[C@H]1SC ZINC000600177859 342696903 /nfs/dbraw/zinc/69/69/03/342696903.db2.gz UMTCZADHRXICFM-OPRDCNLKSA-N 1 2 242.348 0.803 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)[C@H]1SC ZINC000600177859 342696904 /nfs/dbraw/zinc/69/69/04/342696904.db2.gz UMTCZADHRXICFM-OPRDCNLKSA-N 1 2 242.348 0.803 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cocn2)C1 ZINC000600193016 342698282 /nfs/dbraw/zinc/69/82/82/342698282.db2.gz SCPABZFWPLOMPN-NSHDSACASA-N 1 2 240.259 0.439 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cocn2)C1 ZINC000600193016 342698283 /nfs/dbraw/zinc/69/82/83/342698283.db2.gz SCPABZFWPLOMPN-NSHDSACASA-N 1 2 240.259 0.439 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000353872385 398279012 /nfs/dbraw/zinc/27/90/12/398279012.db2.gz VJDZHGCGKRUWFG-MRVPVSSYSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000353872385 398279014 /nfs/dbraw/zinc/27/90/14/398279014.db2.gz VJDZHGCGKRUWFG-MRVPVSSYSA-N 1 2 229.305 0.029 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC(=O)NC1CC1 ZINC000181837395 538961496 /nfs/dbraw/zinc/96/14/96/538961496.db2.gz UDGRDZHYVXLEBV-UHFFFAOYSA-N 1 2 246.274 0.147 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649483402 398281100 /nfs/dbraw/zinc/28/11/00/398281100.db2.gz LGRKKQGZUSGAAT-LBPRGKRZSA-N 1 2 248.330 0.669 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649483402 398281103 /nfs/dbraw/zinc/28/11/03/398281103.db2.gz LGRKKQGZUSGAAT-LBPRGKRZSA-N 1 2 248.330 0.669 20 0 BCADLO CCOC(=O)CCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000200859934 342737908 /nfs/dbraw/zinc/73/79/08/342737908.db2.gz LMVOXFUFMZRGRA-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000200859934 342737910 /nfs/dbraw/zinc/73/79/10/342737910.db2.gz LMVOXFUFMZRGRA-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO C[C@](O)(CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000583953285 342753880 /nfs/dbraw/zinc/75/38/80/342753880.db2.gz KJJOONGFGZYDOK-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000162239470 349616842 /nfs/dbraw/zinc/61/68/42/349616842.db2.gz RSMMSJWFFSRYGW-DTWKUNHWSA-N 1 2 223.276 0.793 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@](O)(CC)C2)no1 ZINC000332724654 342772239 /nfs/dbraw/zinc/77/22/39/342772239.db2.gz SEGZMHKUHXPXPI-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@](O)(CC)C2)no1 ZINC000332724654 342772240 /nfs/dbraw/zinc/77/22/40/342772240.db2.gz SEGZMHKUHXPXPI-LLVKDONJSA-N 1 2 225.292 0.979 20 0 BCADLO CC[C@H](COC)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493331773 529392797 /nfs/dbraw/zinc/39/27/97/529392797.db2.gz ZXOKZSYEGWZDPB-XRVBUDJMSA-N 1 2 223.276 0.964 20 0 BCADLO CCc1cc(N[C@H](C)C(=O)NC)nc[nH+]1 ZINC000042571472 538978321 /nfs/dbraw/zinc/97/83/21/538978321.db2.gz GQFCSFVVGXVUKM-SSDOTTSWSA-N 1 2 208.265 0.585 20 0 BCADLO CCN1CC[N@H+](CCOC(C)(C)C)CC1=O ZINC000348811955 136239102 /nfs/dbraw/zinc/23/91/02/136239102.db2.gz UJBYCAJHFGYNME-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO CCN1CC[N@@H+](CCOC(C)(C)C)CC1=O ZINC000348811955 136239103 /nfs/dbraw/zinc/23/91/03/136239103.db2.gz UJBYCAJHFGYNME-UHFFFAOYSA-N 1 2 228.336 0.966 20 0 BCADLO Cc1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000624685109 342819596 /nfs/dbraw/zinc/81/95/96/342819596.db2.gz YULKLDPFUUKGGU-DTORHVGOSA-N 1 2 220.276 0.485 20 0 BCADLO NC(=O)C[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000624699106 342819758 /nfs/dbraw/zinc/81/97/58/342819758.db2.gz UVYYDDJEOHKQHS-VIFPVBQESA-N 1 2 221.260 0.162 20 0 BCADLO CCCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624737931 342824625 /nfs/dbraw/zinc/82/46/25/342824625.db2.gz XVWTXYFZSVVHAJ-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624737931 342824626 /nfs/dbraw/zinc/82/46/26/342824626.db2.gz XVWTXYFZSVVHAJ-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO FC1C[NH+](C[C@H]2CNc3ccnn3C2)C1 ZINC000380208463 538987437 /nfs/dbraw/zinc/98/74/37/538987437.db2.gz XOJHERKTGJSDFI-MRVPVSSYSA-N 1 2 210.256 0.579 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000634413580 361931268 /nfs/dbraw/zinc/93/12/68/361931268.db2.gz RUIOUIRKASRESH-DLOVCJGASA-N 1 2 249.314 0.475 20 0 BCADLO Cn1cc(C[N@H+](CCCO)C2CC2)nn1 ZINC000379785145 538980519 /nfs/dbraw/zinc/98/05/19/538980519.db2.gz SFMJKQKDHOBYHM-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cc(C[N@@H+](CCCO)C2CC2)nn1 ZINC000379785145 538980521 /nfs/dbraw/zinc/98/05/21/538980521.db2.gz SFMJKQKDHOBYHM-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1=CCCCC1 ZINC000189538598 538983769 /nfs/dbraw/zinc/98/37/69/538983769.db2.gz HMJIEBGSAQMVRB-CYBMUJFWSA-N 1 2 249.358 0.603 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C ZINC000046887016 538997793 /nfs/dbraw/zinc/99/77/93/538997793.db2.gz LMWIAPUWNBGVKM-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO CCN1CC[N@@H+]([C@H](C)COC)CC1=O ZINC000348822785 136240949 /nfs/dbraw/zinc/24/09/49/136240949.db2.gz QMACGVYNRFWQKK-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN1CC[N@H+]([C@H](C)COC)CC1=O ZINC000348822785 136240950 /nfs/dbraw/zinc/24/09/50/136240950.db2.gz QMACGVYNRFWQKK-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388028927 539014272 /nfs/dbraw/zinc/01/42/72/539014272.db2.gz KOBVJUXUCRXWCB-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388028927 539014274 /nfs/dbraw/zinc/01/42/74/539014274.db2.gz KOBVJUXUCRXWCB-NXEZZACHSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000072274773 342840311 /nfs/dbraw/zinc/84/03/11/342840311.db2.gz KFZPESVEUCQLHH-UHFFFAOYSA-N 1 2 234.303 0.638 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000072274773 342840312 /nfs/dbraw/zinc/84/03/12/342840312.db2.gz KFZPESVEUCQLHH-UHFFFAOYSA-N 1 2 234.303 0.638 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000389711169 539017461 /nfs/dbraw/zinc/01/74/61/539017461.db2.gz VCRXCWXXVGDUSM-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000389711169 539017463 /nfs/dbraw/zinc/01/74/63/539017463.db2.gz VCRXCWXXVGDUSM-IONNQARKSA-N 1 2 223.276 0.902 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC(N)=O ZINC000348848514 136242066 /nfs/dbraw/zinc/24/20/66/136242066.db2.gz MLDZNNRUDPWTEF-QMMMGPOBSA-N 1 2 236.275 0.197 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC(N)=O ZINC000348848513 136242080 /nfs/dbraw/zinc/24/20/80/136242080.db2.gz MLDZNNRUDPWTEF-MRVPVSSYSA-N 1 2 236.275 0.197 20 0 BCADLO CCOCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755274 361993487 /nfs/dbraw/zinc/99/34/87/361993487.db2.gz WMHQFFSWSGQKIM-UHFFFAOYSA-N 1 2 207.237 0.586 20 0 BCADLO CC(C)[N@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625057269 342847046 /nfs/dbraw/zinc/84/70/46/342847046.db2.gz ZJMYYBSTMRMAFU-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625057269 342847047 /nfs/dbraw/zinc/84/70/47/342847047.db2.gz ZJMYYBSTMRMAFU-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO C[C@H](CCO)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000650573225 398302013 /nfs/dbraw/zinc/30/20/13/398302013.db2.gz MRDHWKHOCZNBCD-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000191711878 398302710 /nfs/dbraw/zinc/30/27/10/398302710.db2.gz QEEGEOJCCBTCEZ-YIZRAAEISA-N 1 2 203.282 0.951 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148910967 398308466 /nfs/dbraw/zinc/30/84/66/398308466.db2.gz RIZRRRJNJUKIEZ-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148910967 398308467 /nfs/dbraw/zinc/30/84/67/398308467.db2.gz RIZRRRJNJUKIEZ-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000035187952 342885262 /nfs/dbraw/zinc/88/52/62/342885262.db2.gz PAMOYDRYSSOZAT-SNVBAGLBSA-N 1 2 214.309 0.169 20 0 BCADLO O=C([O-])[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000035297407 342887009 /nfs/dbraw/zinc/88/70/09/342887009.db2.gz FZSLRJMOKCXRMA-SNVBAGLBSA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000035297407 342887010 /nfs/dbraw/zinc/88/70/10/342887010.db2.gz FZSLRJMOKCXRMA-SNVBAGLBSA-N 1 2 223.276 0.822 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCCF)C1 ZINC000332381272 398313270 /nfs/dbraw/zinc/31/32/70/398313270.db2.gz GDGQQSPUPKELTN-BDAKNGLRSA-N 1 2 228.271 0.926 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCCF)C1 ZINC000332381272 398313274 /nfs/dbraw/zinc/31/32/74/398313274.db2.gz GDGQQSPUPKELTN-BDAKNGLRSA-N 1 2 228.271 0.926 20 0 BCADLO C[C@H](O)C[NH+]1CCN(Cc2cnns2)CC1 ZINC000625141392 342889450 /nfs/dbraw/zinc/88/94/50/342889450.db2.gz YVTWSIZEIPNABU-VIFPVBQESA-N 1 2 242.348 0.037 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)N1CCSCC1 ZINC000632143473 342893311 /nfs/dbraw/zinc/89/33/11/342893311.db2.gz VUPUJDZLZQVSGL-UHFFFAOYSA-N 1 2 226.305 0.668 20 0 BCADLO CNC(=O)NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000016377496 342910062 /nfs/dbraw/zinc/91/00/62/342910062.db2.gz OXOCUJLIQLLMLH-UHFFFAOYSA-N 1 2 239.275 0.475 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000016377496 342910063 /nfs/dbraw/zinc/91/00/63/342910063.db2.gz OXOCUJLIQLLMLH-UHFFFAOYSA-N 1 2 239.275 0.475 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2nccs2)nn1 ZINC000625204880 342910804 /nfs/dbraw/zinc/91/08/04/342910804.db2.gz QBDDBZZOMVVHNV-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2nccs2)nn1 ZINC000625204880 342910805 /nfs/dbraw/zinc/91/08/05/342910805.db2.gz QBDDBZZOMVVHNV-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000602632606 349649150 /nfs/dbraw/zinc/64/91/50/349649150.db2.gz CUMOILMWEPHALY-KXUCPTDWSA-N 1 2 242.319 0.585 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497070019 529436905 /nfs/dbraw/zinc/43/69/05/529436905.db2.gz FAHMBUKEOGZMDR-DTWKUNHWSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497070019 529436906 /nfs/dbraw/zinc/43/69/06/529436906.db2.gz FAHMBUKEOGZMDR-DTWKUNHWSA-N 1 2 216.256 0.871 20 0 BCADLO C[N@H+](CC[C@H]1CCOC1)Cc1nnc[nH]1 ZINC000562428180 323019684 /nfs/dbraw/zinc/01/96/84/323019684.db2.gz KVAFUXXZGCYSPW-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO C[N@@H+](CC[C@H]1CCOC1)Cc1nnc[nH]1 ZINC000562428180 323019685 /nfs/dbraw/zinc/01/96/85/323019685.db2.gz KVAFUXXZGCYSPW-VIFPVBQESA-N 1 2 210.281 0.663 20 0 BCADLO O=C(C1CSC1)N1CCc2[nH]c[nH+]c2C1 ZINC000633131381 398329915 /nfs/dbraw/zinc/32/99/15/398329915.db2.gz ICEBZRNMZFQGQP-UHFFFAOYSA-N 1 2 223.301 0.657 20 0 BCADLO O=C(C1CSC1)N1CCc2[nH+]c[nH]c2C1 ZINC000633131381 398329917 /nfs/dbraw/zinc/32/99/17/398329917.db2.gz ICEBZRNMZFQGQP-UHFFFAOYSA-N 1 2 223.301 0.657 20 0 BCADLO C[NH+](C)CCn1[nH]c(-c2ccoc2)cc1=O ZINC000634590129 342936941 /nfs/dbraw/zinc/93/69/41/342936941.db2.gz QOUQTDJFUOTILH-UHFFFAOYSA-N 1 2 221.260 0.778 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000602643649 349656085 /nfs/dbraw/zinc/65/60/85/349656085.db2.gz GZWQWVCGTFULIP-RKDXNWHRSA-N 1 2 223.276 0.559 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C)C1 ZINC000174530757 346882747 /nfs/dbraw/zinc/88/27/47/346882747.db2.gz IEEBWIGTTQBETJ-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C)C1 ZINC000174530757 346882752 /nfs/dbraw/zinc/88/27/52/346882752.db2.gz IEEBWIGTTQBETJ-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125802525 398339436 /nfs/dbraw/zinc/33/94/36/398339436.db2.gz TWBFYLQZTWIEEM-UHFFFAOYSA-N 1 2 236.319 0.683 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125802525 398339437 /nfs/dbraw/zinc/33/94/37/398339437.db2.gz TWBFYLQZTWIEEM-UHFFFAOYSA-N 1 2 236.319 0.683 20 0 BCADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(O)CCCCC1 ZINC000627368918 346890397 /nfs/dbraw/zinc/89/03/97/346890397.db2.gz GERCOUIRBQQFFU-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(O)CCCCC1 ZINC000627368918 346890400 /nfs/dbraw/zinc/89/04/00/346890400.db2.gz GERCOUIRBQQFFU-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO Cc1ncc(C[N@@H+]2CCSC[C@@H]2CO)cn1 ZINC000351729538 136250199 /nfs/dbraw/zinc/25/01/99/136250199.db2.gz GQNJXNMPWKDVHR-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ncc(C[N@H+]2CCSC[C@@H]2CO)cn1 ZINC000351729538 136250200 /nfs/dbraw/zinc/25/02/00/136250200.db2.gz GQNJXNMPWKDVHR-NSHDSACASA-N 1 2 239.344 0.695 20 0 BCADLO CCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000045852564 342939070 /nfs/dbraw/zinc/93/90/70/342939070.db2.gz ULQMBLKFTISCIG-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CO[C@]1(C[NH2+][C@@H](C)C(=O)OC(C)C)CCOC1 ZINC000602683416 349675331 /nfs/dbraw/zinc/67/53/31/349675331.db2.gz VPABQOVYHQUJBG-JQWIXIFHSA-N 1 2 245.319 0.722 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCOC2(CCCC2)C1 ZINC000158030257 398340645 /nfs/dbraw/zinc/34/06/45/398340645.db2.gz SCPJSFICXMDEQP-SNVBAGLBSA-N 1 2 225.288 0.947 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCOC2(CCCC2)C1 ZINC000158030257 398340646 /nfs/dbraw/zinc/34/06/46/398340646.db2.gz SCPJSFICXMDEQP-SNVBAGLBSA-N 1 2 225.288 0.947 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(CCO)C2)on1 ZINC000602690237 349687515 /nfs/dbraw/zinc/68/75/15/349687515.db2.gz LBYBQSXIDSWVHP-UHFFFAOYSA-N 1 2 240.259 0.275 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)n1 ZINC000351780782 136254405 /nfs/dbraw/zinc/25/44/05/136254405.db2.gz MRYWJHFJSVIZBN-SKDRFNHKSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)n1 ZINC000351780782 136254406 /nfs/dbraw/zinc/25/44/06/136254406.db2.gz MRYWJHFJSVIZBN-SKDRFNHKSA-N 1 2 237.303 0.367 20 0 BCADLO C[C@H](C1CC1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634597715 342975357 /nfs/dbraw/zinc/97/53/57/342975357.db2.gz RYURLSXTDFONPM-APPZFPTMSA-N 1 2 207.277 0.593 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)CO ZINC000492849371 529558489 /nfs/dbraw/zinc/55/84/89/529558489.db2.gz CDSGMUCISPZFCW-WAYWQWQTSA-N 1 2 237.303 0.803 20 0 BCADLO CCN(C#N)CC[N@H+](C)CC(=O)NC(C)(C)C ZINC000602765037 349721491 /nfs/dbraw/zinc/72/14/91/349721491.db2.gz AFPHUSZHXUGKNY-UHFFFAOYSA-N 1 2 240.351 0.636 20 0 BCADLO CCN(C#N)CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000602765037 349721495 /nfs/dbraw/zinc/72/14/95/349721495.db2.gz AFPHUSZHXUGKNY-UHFFFAOYSA-N 1 2 240.351 0.636 20 0 BCADLO CCN(C#N)CC[N@H+](C)Cc1cn[nH]c1 ZINC000602792916 349735626 /nfs/dbraw/zinc/73/56/26/349735626.db2.gz MRXJHRWITYDUFY-UHFFFAOYSA-N 1 2 207.281 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000602792916 349735628 /nfs/dbraw/zinc/73/56/28/349735628.db2.gz MRXJHRWITYDUFY-UHFFFAOYSA-N 1 2 207.281 0.644 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000602797871 349738660 /nfs/dbraw/zinc/73/86/60/349738660.db2.gz KTDVGKVSORLGTL-LBPRGKRZSA-N 1 2 223.320 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1C1CC1 ZINC000602797871 349738661 /nfs/dbraw/zinc/73/86/61/349738661.db2.gz KTDVGKVSORLGTL-LBPRGKRZSA-N 1 2 223.320 0.900 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccnn1C ZINC000235207816 342997707 /nfs/dbraw/zinc/99/77/07/342997707.db2.gz ZDQQGDXAEHCRSG-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000602800716 349740874 /nfs/dbraw/zinc/74/08/74/349740874.db2.gz RVZNTCCFKCSYLW-NSHDSACASA-N 1 2 236.319 0.096 20 0 BCADLO CCN(C#N)CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000602800716 349740878 /nfs/dbraw/zinc/74/08/78/349740878.db2.gz RVZNTCCFKCSYLW-NSHDSACASA-N 1 2 236.319 0.096 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1CCO[C@@H]1C)C(=O)OC ZINC000602799396 349741016 /nfs/dbraw/zinc/74/10/16/349741016.db2.gz OGNKJDVYNCIOKV-FOGDFJRCSA-N 1 2 245.319 0.579 20 0 BCADLO CCC(CC)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634605242 342999609 /nfs/dbraw/zinc/99/96/09/342999609.db2.gz FFLOWQRUALYDAK-SECBINFHSA-N 1 2 209.293 0.983 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(C)=O ZINC000602803822 349742556 /nfs/dbraw/zinc/74/25/56/349742556.db2.gz AUQJBVWRTXLFEQ-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@H+]1CC(C)=O ZINC000602803822 349742558 /nfs/dbraw/zinc/74/25/58/349742558.db2.gz AUQJBVWRTXLFEQ-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000602778151 349745050 /nfs/dbraw/zinc/74/50/50/349745050.db2.gz CEBARNBAAQVKEL-HTQZYQBOSA-N 1 2 242.275 0.835 20 0 BCADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000602778151 349745054 /nfs/dbraw/zinc/74/50/54/349745054.db2.gz CEBARNBAAQVKEL-HTQZYQBOSA-N 1 2 242.275 0.835 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncnn1C ZINC000518365170 259340081 /nfs/dbraw/zinc/34/00/81/259340081.db2.gz CEPCCTDPLKNOBV-PHDIDXHHSA-N 1 2 238.213 0.389 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC(C)(C)C1 ZINC000602757260 349732319 /nfs/dbraw/zinc/73/23/19/349732319.db2.gz SXCHFZOATXNWMZ-UHFFFAOYSA-N 1 2 211.309 0.900 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC(C)(C)C1 ZINC000602757260 349732322 /nfs/dbraw/zinc/73/23/22/349732322.db2.gz SXCHFZOATXNWMZ-UHFFFAOYSA-N 1 2 211.309 0.900 20 0 BCADLO CCN(C#N)CC[N@H+](C)Cc1cnn(C)c1C ZINC000602823635 349763126 /nfs/dbraw/zinc/76/31/26/349763126.db2.gz XVANZDGLKLXQDX-UHFFFAOYSA-N 1 2 235.335 0.963 20 0 BCADLO CCN(C#N)CC[N@@H+](C)Cc1cnn(C)c1C ZINC000602823635 349763129 /nfs/dbraw/zinc/76/31/29/349763129.db2.gz XVANZDGLKLXQDX-UHFFFAOYSA-N 1 2 235.335 0.963 20 0 BCADLO CCCCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634619094 343017948 /nfs/dbraw/zinc/01/79/48/343017948.db2.gz ONJKMKNWRINLRN-SECBINFHSA-N 1 2 209.293 0.984 20 0 BCADLO CC1(C)CO[C@@H](C[NH+]2CCS(=O)CC2)C1 ZINC000602782729 349748725 /nfs/dbraw/zinc/74/87/25/349748725.db2.gz HTSDVXROBIZVFA-SNVBAGLBSA-N 1 2 231.361 0.866 20 0 BCADLO O=c1c2c([nH]n1C13CC(C1)C3)CC[NH2+]C2 ZINC000634625104 343025294 /nfs/dbraw/zinc/02/52/94/343025294.db2.gz YFHZPSAZUDUFDV-JKDSDDBFSA-N 1 2 205.261 0.347 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000602809635 349753548 /nfs/dbraw/zinc/75/35/48/349753548.db2.gz AYIJGPRBNOVHCO-WDEREUQCSA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000602809635 349753549 /nfs/dbraw/zinc/75/35/49/349753549.db2.gz AYIJGPRBNOVHCO-WDEREUQCSA-N 1 2 238.335 0.375 20 0 BCADLO O=c1c2c([nH]n1CCc1ccccn1)CC[NH2+]C2 ZINC000634614729 343012200 /nfs/dbraw/zinc/01/22/00/343012200.db2.gz LRMNKYFIRHVXQT-NSHDSACASA-N 1 2 244.298 0.432 20 0 BCADLO CCc1cc(=O)n(CCC[NH+]2CCOCC2)[nH]1 ZINC000634616105 343013316 /nfs/dbraw/zinc/01/33/16/343013316.db2.gz AZSSLYWOKHNDBA-UHFFFAOYSA-N 1 2 239.319 0.707 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCN(CC)C(=O)C1 ZINC000602816181 349758902 /nfs/dbraw/zinc/75/89/02/349758902.db2.gz OWPHORSLUAUKOK-UHFFFAOYSA-N 1 2 238.335 0.344 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCN(CC)C(=O)C1 ZINC000602816181 349758906 /nfs/dbraw/zinc/75/89/06/349758906.db2.gz OWPHORSLUAUKOK-UHFFFAOYSA-N 1 2 238.335 0.344 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000602837912 349777543 /nfs/dbraw/zinc/77/75/43/349777543.db2.gz BZURWNVFCNPNIY-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO CN(C)C(=O)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000602837912 349777545 /nfs/dbraw/zinc/77/75/45/349777545.db2.gz BZURWNVFCNPNIY-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO CC(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000169798382 343045398 /nfs/dbraw/zinc/04/53/98/343045398.db2.gz HFFWLFSQRLLAHH-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO C[C@](O)(C[C@H](O)Cn1cc[nH+]c1)C1CC1 ZINC000634636953 343050440 /nfs/dbraw/zinc/05/04/40/343050440.db2.gz MSJSXALDBAHQAP-QWRGUYRKSA-N 1 2 210.277 0.795 20 0 BCADLO CC1(C)OCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634632463 343043962 /nfs/dbraw/zinc/04/39/62/343043962.db2.gz RTUAVJJNTFHCLT-SCZZXKLOSA-N 1 2 237.303 0.362 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(C)COC2)C1 ZINC000576835922 365699486 /nfs/dbraw/zinc/69/94/86/365699486.db2.gz NWRIZUWAFGSEHP-UHFFFAOYSA-N 1 2 226.320 0.481 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccns1 ZINC000602885559 349793109 /nfs/dbraw/zinc/79/31/09/349793109.db2.gz YCRFEYIAGWXEQL-LURJTMIESA-N 1 2 242.304 0.158 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccns1 ZINC000602885559 349793113 /nfs/dbraw/zinc/79/31/13/349793113.db2.gz YCRFEYIAGWXEQL-LURJTMIESA-N 1 2 242.304 0.158 20 0 BCADLO Cn1nccc1/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000310592424 229507858 /nfs/dbraw/zinc/50/78/58/229507858.db2.gz BYPUDTYTORVZCL-IHWYPQMZSA-N 1 2 245.286 0.515 20 0 BCADLO CCc1ncc(C[N@H+](C)CC(N)=O)s1 ZINC000067402931 362020829 /nfs/dbraw/zinc/02/08/29/362020829.db2.gz JKAHJKREDKOTNG-UHFFFAOYSA-N 1 2 213.306 0.623 20 0 BCADLO CCc1ncc(C[N@@H+](C)CC(N)=O)s1 ZINC000067402931 362020834 /nfs/dbraw/zinc/02/08/34/362020834.db2.gz JKAHJKREDKOTNG-UHFFFAOYSA-N 1 2 213.306 0.623 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000175100076 362026124 /nfs/dbraw/zinc/02/61/24/362026124.db2.gz NYDKTBKEAXPAOD-NXEZZACHSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000175100076 362026126 /nfs/dbraw/zinc/02/61/26/362026126.db2.gz NYDKTBKEAXPAOD-NXEZZACHSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000175100046 362026587 /nfs/dbraw/zinc/02/65/87/362026587.db2.gz NYDKTBKEAXPAOD-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO C[C@@H]1CSCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000175100046 362026593 /nfs/dbraw/zinc/02/65/93/362026593.db2.gz NYDKTBKEAXPAOD-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1cncn1C ZINC000177249645 346925243 /nfs/dbraw/zinc/92/52/43/346925243.db2.gz QYZJTPYTEWEUKP-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1cncn1C ZINC000177249645 346925245 /nfs/dbraw/zinc/92/52/45/346925245.db2.gz QYZJTPYTEWEUKP-UHFFFAOYSA-N 1 2 224.308 0.363 20 0 BCADLO CCCc1noc(C[NH+]2CCC(O)CC2)n1 ZINC000042625097 362013204 /nfs/dbraw/zinc/01/32/04/362013204.db2.gz SVJZMVWWGXOUPF-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCCNC(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640791509 362040397 /nfs/dbraw/zinc/04/03/97/362040397.db2.gz ITCOMHLBXFJJIU-UHFFFAOYSA-N 1 2 248.290 0.049 20 0 BCADLO [NH3+]CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565225991 323034529 /nfs/dbraw/zinc/03/45/29/323034529.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 1 2 241.379 0.522 20 0 BCADLO [NH3+]CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565225991 323034530 /nfs/dbraw/zinc/03/45/30/323034530.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 1 2 241.379 0.522 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H](CF)C1 ZINC000622699923 343104298 /nfs/dbraw/zinc/10/42/98/343104298.db2.gz ZSVZNCUOEHVOCG-JTQLQIEISA-N 1 2 241.266 0.470 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H](CF)C1 ZINC000622699924 343104396 /nfs/dbraw/zinc/10/43/96/343104396.db2.gz ZSVZNCUOEHVOCG-SNVBAGLBSA-N 1 2 241.266 0.470 20 0 BCADLO CC(C)OCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640834473 362062133 /nfs/dbraw/zinc/06/21/33/362062133.db2.gz PNQWPHXBZFBKLH-UHFFFAOYSA-N 1 2 235.291 0.948 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H](CF)C1 ZINC000622700509 343117573 /nfs/dbraw/zinc/11/75/73/343117573.db2.gz NUUSXSKDUFMWIF-SNVBAGLBSA-N 1 2 241.266 0.160 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000678127819 488202022 /nfs/dbraw/zinc/20/20/22/488202022.db2.gz VCQKNGXJDSEGBT-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000678127819 488202025 /nfs/dbraw/zinc/20/20/25/488202025.db2.gz VCQKNGXJDSEGBT-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO Cn1cc(-c2cn(Cc3[nH+]ccn3C)nn2)cn1 ZINC000640953413 362096814 /nfs/dbraw/zinc/09/68/14/362096814.db2.gz KKKLUUFTESNQQJ-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO CC(C)[C@H](O)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952581 362097168 /nfs/dbraw/zinc/09/71/68/362097168.db2.gz BREAXYUIKFLFNG-LLVKDONJSA-N 1 2 249.318 0.619 20 0 BCADLO C[C@H](O)CCCc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953870 362098056 /nfs/dbraw/zinc/09/80/56/362098056.db2.gz OPHUTBOGZAHMTL-JTQLQIEISA-N 1 2 249.318 0.763 20 0 BCADLO CC[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939533 362078647 /nfs/dbraw/zinc/07/86/47/362078647.db2.gz STDALPHRBGMKSI-PSASIEDQSA-N 1 2 210.281 0.910 20 0 BCADLO CCC(C)(CC)NC(=O)CN1CC[NH2+]CC1=O ZINC000236862190 343113549 /nfs/dbraw/zinc/11/35/49/343113549.db2.gz SVWFUAKAUSFPKU-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CC[C@H](C)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000640942657 362084807 /nfs/dbraw/zinc/08/48/07/362084807.db2.gz UHSHTFDQJKOUGM-JTQLQIEISA-N 1 2 226.324 0.748 20 0 BCADLO CC[C@H](C)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000640942657 362084810 /nfs/dbraw/zinc/08/48/10/362084810.db2.gz UHSHTFDQJKOUGM-JTQLQIEISA-N 1 2 226.324 0.748 20 0 BCADLO CCOC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000394945079 362089251 /nfs/dbraw/zinc/08/92/51/362089251.db2.gz ICBQGBGROUYLAV-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@H](CF)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631137248 343145891 /nfs/dbraw/zinc/14/58/91/343145891.db2.gz YDVQUZJETJGBGD-NXEZZACHSA-N 1 2 242.298 0.762 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@@H](C)[NH3+] ZINC000050183100 343136422 /nfs/dbraw/zinc/13/64/22/343136422.db2.gz LJVRYRAKAPLGQI-SSDOTTSWSA-N 1 2 210.281 0.114 20 0 BCADLO CC[C@H]([NH3+])C(=O)NCCCc1cn[nH]c1C ZINC000050183138 343136489 /nfs/dbraw/zinc/13/64/89/343136489.db2.gz QLUYCSPJTNEIAD-JTQLQIEISA-N 1 2 224.308 0.504 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C1CCOCC1 ZINC000134831159 343195641 /nfs/dbraw/zinc/19/56/41/343195641.db2.gz DKTGSISFMSSNBB-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C1CCOCC1 ZINC000134831159 343195642 /nfs/dbraw/zinc/19/56/42/343195642.db2.gz DKTGSISFMSSNBB-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364460242 136276083 /nfs/dbraw/zinc/27/60/83/136276083.db2.gz KSAHNAYVXAIFFB-GXFFZTMASA-N 1 2 249.314 0.429 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2ncc[nH]2)nn1 ZINC000625277013 343216099 /nfs/dbraw/zinc/21/60/99/343216099.db2.gz WVCHXOHVQMXAHJ-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2ncc[nH]2)nn1 ZINC000625277013 343216101 /nfs/dbraw/zinc/21/61/01/343216101.db2.gz WVCHXOHVQMXAHJ-UHFFFAOYSA-N 1 2 220.280 0.213 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C(C)C ZINC000133560472 343191070 /nfs/dbraw/zinc/19/10/70/343191070.db2.gz NBAYQTHFHNMDCI-BDAKNGLRSA-N 1 2 203.282 0.545 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)CCO ZINC000134914740 343191895 /nfs/dbraw/zinc/19/18/95/343191895.db2.gz JYSQBIGAVILLIL-SSDOTTSWSA-N 1 2 226.280 0.498 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)CCO ZINC000134914740 343191897 /nfs/dbraw/zinc/19/18/97/343191897.db2.gz JYSQBIGAVILLIL-SSDOTTSWSA-N 1 2 226.280 0.498 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCOC(C)(C)C1 ZINC000134830918 343195392 /nfs/dbraw/zinc/19/53/92/343195392.db2.gz BUNMINGYBBZOGV-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCOC(C)(C)C1 ZINC000134830918 343195394 /nfs/dbraw/zinc/19/53/94/343195394.db2.gz BUNMINGYBBZOGV-UHFFFAOYSA-N 1 2 238.291 0.683 20 0 BCADLO O=S(=O)(CCCF)NCc1c[nH+]c[nH]1 ZINC000625299655 343226505 /nfs/dbraw/zinc/22/65/05/343226505.db2.gz YYFQKNAGAQKQKM-UHFFFAOYSA-N 1 2 221.257 0.189 20 0 BCADLO O=S(=O)(CCCF)NCc1c[nH]c[nH+]1 ZINC000625299655 343226506 /nfs/dbraw/zinc/22/65/06/343226506.db2.gz YYFQKNAGAQKQKM-UHFFFAOYSA-N 1 2 221.257 0.189 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000625300676 343227173 /nfs/dbraw/zinc/22/71/73/343227173.db2.gz ODLQGUZKPMQSTB-QMMMGPOBSA-N 1 2 208.265 0.961 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000625300676 343227176 /nfs/dbraw/zinc/22/71/76/343227176.db2.gz ODLQGUZKPMQSTB-QMMMGPOBSA-N 1 2 208.265 0.961 20 0 BCADLO C[N@H+](Cc1cnns1)[C@]1(CO)CCOC1 ZINC000625322818 343232027 /nfs/dbraw/zinc/23/20/27/343232027.db2.gz YBIJRDUMGBIKHN-VIFPVBQESA-N 1 2 229.305 0.121 20 0 BCADLO C[N@@H+](Cc1cnns1)[C@]1(CO)CCOC1 ZINC000625322818 343232028 /nfs/dbraw/zinc/23/20/28/343232028.db2.gz YBIJRDUMGBIKHN-VIFPVBQESA-N 1 2 229.305 0.121 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000068950966 343255019 /nfs/dbraw/zinc/25/50/19/343255019.db2.gz GQAHHAJETOKXHN-JTQLQIEISA-N 1 2 230.333 0.972 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000068950966 343255020 /nfs/dbraw/zinc/25/50/20/343255020.db2.gz GQAHHAJETOKXHN-JTQLQIEISA-N 1 2 230.333 0.972 20 0 BCADLO O=C(c1ccsc1)N1CC[NH+](CCO)CC1 ZINC000035187741 343288604 /nfs/dbraw/zinc/28/86/04/343288604.db2.gz XOTJUKJCSHGGHP-UHFFFAOYSA-N 1 2 240.328 0.498 20 0 BCADLO C[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035203925 343289296 /nfs/dbraw/zinc/28/92/96/343289296.db2.gz RGZRIDDJNSSCDZ-VIFPVBQESA-N 1 2 233.271 0.374 20 0 BCADLO CCc1cc(C(=O)NCCc2c[nH+]cn2C)[nH]n1 ZINC000121492641 343265941 /nfs/dbraw/zinc/26/59/41/343265941.db2.gz HJAIEPIXLBDNRZ-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCS1 ZINC000121417052 343267076 /nfs/dbraw/zinc/26/70/76/343267076.db2.gz QEPAKQSTVCKCKG-SNVBAGLBSA-N 1 2 239.344 0.974 20 0 BCADLO OCCCCCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035331 362147578 /nfs/dbraw/zinc/14/75/78/362147578.db2.gz JHHITNASLYXGBJ-UHFFFAOYSA-N 1 2 235.291 0.755 20 0 BCADLO Cc1cnn(Cc2cn(Cc3c[nH]c[nH+]3)nn2)c1 ZINC000641035794 362148800 /nfs/dbraw/zinc/14/88/00/362148800.db2.gz ZVNWULJTWKBDAA-UHFFFAOYSA-N 1 2 243.274 0.603 20 0 BCADLO C[C@@H](O)CCCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036498 362148884 /nfs/dbraw/zinc/14/88/84/362148884.db2.gz OYKRMJIEZQFRDY-SECBINFHSA-N 1 2 235.291 0.753 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](CO)C1 ZINC000088619595 136285847 /nfs/dbraw/zinc/28/58/47/136285847.db2.gz RTEPYETXTJFYHE-NSHDSACASA-N 1 2 238.335 0.748 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@H](CO)C1 ZINC000088619595 136285848 /nfs/dbraw/zinc/28/58/48/136285848.db2.gz RTEPYETXTJFYHE-NSHDSACASA-N 1 2 238.335 0.748 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000069862406 343293571 /nfs/dbraw/zinc/29/35/71/343293571.db2.gz XFZKDLPYZFIETR-XHNCKOQMSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@H](O)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493717358 529702569 /nfs/dbraw/zinc/70/25/69/529702569.db2.gz DOUNDZCWBHGWSM-PORFMDCZSA-N 1 2 237.303 0.803 20 0 BCADLO C[C@H](CO)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000134961641 343298076 /nfs/dbraw/zinc/29/80/76/343298076.db2.gz SMEMCODWDMEERJ-SFYZADRCSA-N 1 2 235.291 0.792 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)[C@H](CC)CO ZINC000393521208 259357561 /nfs/dbraw/zinc/35/75/61/259357561.db2.gz PYFLCYBLBYPLFA-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)[C@H](CC)CO ZINC000393521208 259357563 /nfs/dbraw/zinc/35/75/63/259357563.db2.gz PYFLCYBLBYPLFA-SNVBAGLBSA-N 1 2 241.339 0.676 20 0 BCADLO CC(C)(CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035608549 343300469 /nfs/dbraw/zinc/30/04/69/343300469.db2.gz JVIXTHBWVVUYTR-UHFFFAOYSA-N 1 2 247.298 0.764 20 0 BCADLO Cn1c[nH+]c(Cn2cc(-c3ccn(C)n3)nn2)c1 ZINC000641054428 362163345 /nfs/dbraw/zinc/16/33/45/362163345.db2.gz YZDAHSFKUKRYPX-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccn[nH]1 ZINC000037782794 343355261 /nfs/dbraw/zinc/35/52/61/343355261.db2.gz PZZAKLVYIWVMDX-SECBINFHSA-N 1 2 222.292 0.510 20 0 BCADLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599026 343357727 /nfs/dbraw/zinc/35/77/27/343357727.db2.gz KGWKOFCPZYFEHO-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO COCC[N@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000625378064 343363251 /nfs/dbraw/zinc/36/32/51/343363251.db2.gz IZDXLQVRIQKSTO-SECBINFHSA-N 1 2 243.332 0.775 20 0 BCADLO COCC[N@@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000625378064 343363252 /nfs/dbraw/zinc/36/32/52/343363252.db2.gz IZDXLQVRIQKSTO-SECBINFHSA-N 1 2 243.332 0.775 20 0 BCADLO CC1(C(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC000588354727 343374640 /nfs/dbraw/zinc/37/46/40/343374640.db2.gz LXRBYWQBMGMZHD-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000070646489 343337873 /nfs/dbraw/zinc/33/78/73/343337873.db2.gz DTXZGRARQRNSGN-UHFFFAOYSA-N 1 2 204.237 0.558 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H](O)C(F)F)cc[nH+]1 ZINC000348831826 136303308 /nfs/dbraw/zinc/30/33/08/136303308.db2.gz CAGAAHYYHQZCAC-MRVPVSSYSA-N 1 2 245.229 0.559 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1O ZINC000348950919 136309869 /nfs/dbraw/zinc/30/98/69/136309869.db2.gz RLHWKPUDSFTJKN-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1O ZINC000348950919 136309870 /nfs/dbraw/zinc/30/98/70/136309870.db2.gz RLHWKPUDSFTJKN-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CCC2)C1)N1CCC1 ZINC000335664639 136316208 /nfs/dbraw/zinc/31/62/08/136316208.db2.gz VJJBGCBBKKXCHU-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CCC2)C1)N1CCC1 ZINC000335664639 136316209 /nfs/dbraw/zinc/31/62/09/136316209.db2.gz VJJBGCBBKKXCHU-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO CCN(C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335665651 136316331 /nfs/dbraw/zinc/31/63/31/136316331.db2.gz FCKVLGKVECPMOL-WDEREUQCSA-N 1 2 241.335 0.463 20 0 BCADLO CCN(C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335665651 136316332 /nfs/dbraw/zinc/31/63/32/136316332.db2.gz FCKVLGKVECPMOL-WDEREUQCSA-N 1 2 241.335 0.463 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000349006722 136316613 /nfs/dbraw/zinc/31/66/13/136316613.db2.gz MEYUUKNQEGKGKM-SNVBAGLBSA-N 1 2 228.271 0.112 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000349006722 136316614 /nfs/dbraw/zinc/31/66/14/136316614.db2.gz MEYUUKNQEGKGKM-SNVBAGLBSA-N 1 2 228.271 0.112 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621378738 343391170 /nfs/dbraw/zinc/39/11/70/343391170.db2.gz CKLFEYBPFDJRHO-SNVBAGLBSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621378738 343391173 /nfs/dbraw/zinc/39/11/73/343391173.db2.gz CKLFEYBPFDJRHO-SNVBAGLBSA-N 1 2 238.335 0.798 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cnccn1)C(C)C ZINC000402963470 343397353 /nfs/dbraw/zinc/39/73/53/343397353.db2.gz VFWUULYLMXLCMP-NSHDSACASA-N 1 2 237.303 0.806 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cnccn1)C(C)C ZINC000402963469 343397493 /nfs/dbraw/zinc/39/74/93/343397493.db2.gz VFWUULYLMXLCMP-LLVKDONJSA-N 1 2 237.303 0.806 20 0 BCADLO Cc1nscc1C(=O)N1CC[NH+](C)CC1 ZINC000040757192 343409084 /nfs/dbraw/zinc/40/90/84/343409084.db2.gz PJLAHMFQBQFURD-UHFFFAOYSA-N 1 2 225.317 0.839 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)cc[nH+]1 ZINC000349153066 136327188 /nfs/dbraw/zinc/32/71/88/136327188.db2.gz RCDSGSXAHYIOJA-ZJUUUORDSA-N 1 2 247.298 0.665 20 0 BCADLO Cn1cc(CNc2[nH+]cnc3c2cnn3C)cn1 ZINC000041160106 343416850 /nfs/dbraw/zinc/41/68/50/343416850.db2.gz XXJVQEZNQFNQHD-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000335725731 136347088 /nfs/dbraw/zinc/34/70/88/136347088.db2.gz RASYPIWPFXPPQV-LLVKDONJSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000335725731 136347089 /nfs/dbraw/zinc/34/70/89/136347089.db2.gz RASYPIWPFXPPQV-LLVKDONJSA-N 1 2 248.330 0.535 20 0 BCADLO COCC[N@H+](C)Cc1cn(CC[C@@H](C)O)nn1 ZINC000641092920 362220081 /nfs/dbraw/zinc/22/00/81/362220081.db2.gz NRTTUHPQRKQVKO-SNVBAGLBSA-N 1 2 242.323 0.127 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CC[C@@H](C)O)nn1 ZINC000641092920 362220084 /nfs/dbraw/zinc/22/00/84/362220084.db2.gz NRTTUHPQRKQVKO-SNVBAGLBSA-N 1 2 242.323 0.127 20 0 BCADLO Cc1cc(Cn2cc(COCCO)nn2)cc[nH+]1 ZINC000641090518 362216452 /nfs/dbraw/zinc/21/64/52/362216452.db2.gz XXBZTERMCIZNOP-UHFFFAOYSA-N 1 2 248.286 0.539 20 0 BCADLO CC(C)n1cc(C[N@H+](C)[C@H](C)CO)nn1 ZINC000349296779 136338243 /nfs/dbraw/zinc/33/82/43/136338243.db2.gz MEXOWJOKOKIHMQ-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)[C@H](C)CO)nn1 ZINC000349296779 136338244 /nfs/dbraw/zinc/33/82/44/136338244.db2.gz MEXOWJOKOKIHMQ-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2CC=CC2)nn1 ZINC000641080587 362196413 /nfs/dbraw/zinc/19/64/13/362196413.db2.gz WGTHZYZAWFZYHY-UHFFFAOYSA-N 1 2 236.319 0.668 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2CC=CC2)nn1 ZINC000641080587 362196414 /nfs/dbraw/zinc/19/64/14/362196414.db2.gz WGTHZYZAWFZYHY-UHFFFAOYSA-N 1 2 236.319 0.668 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000042338258 343435047 /nfs/dbraw/zinc/43/50/47/343435047.db2.gz LAIDQNLFTNVLBL-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000335854751 136355739 /nfs/dbraw/zinc/35/57/39/136355739.db2.gz DHYSAXFBVHIGMY-GHMZBOCLSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000335854751 136355740 /nfs/dbraw/zinc/35/57/40/136355740.db2.gz DHYSAXFBVHIGMY-GHMZBOCLSA-N 1 2 235.287 0.170 20 0 BCADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c[nH]cn1 ZINC000350273104 136357292 /nfs/dbraw/zinc/35/72/92/136357292.db2.gz ZGDWQLHKBFZZGX-LLVKDONJSA-N 1 2 241.291 0.468 20 0 BCADLO Cc1nccc(C[N@@H+](CC(N)=O)C(C)C)n1 ZINC000350281526 136357660 /nfs/dbraw/zinc/35/76/60/136357660.db2.gz YIKRJSSMEGXEBS-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1nccc(C[N@H+](CC(N)=O)C(C)C)n1 ZINC000350281526 136357661 /nfs/dbraw/zinc/35/76/61/136357661.db2.gz YIKRJSSMEGXEBS-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO CCN1CCN(C(C)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000335885533 136358112 /nfs/dbraw/zinc/35/81/12/136358112.db2.gz YMCXXNATMWGNHP-SNVBAGLBSA-N 1 2 222.292 0.635 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000350480764 136361159 /nfs/dbraw/zinc/36/11/59/136361159.db2.gz PYTUQHQWTRFDBE-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000350480764 136361160 /nfs/dbraw/zinc/36/11/60/136361160.db2.gz PYTUQHQWTRFDBE-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cocn1 ZINC000351183109 136368463 /nfs/dbraw/zinc/36/84/63/136368463.db2.gz LSOZLXXHRLBEQL-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cocn1 ZINC000351183109 136368464 /nfs/dbraw/zinc/36/84/64/136368464.db2.gz LSOZLXXHRLBEQL-RTHLEPHNSA-N 1 2 216.306 0.873 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000351785188 136370479 /nfs/dbraw/zinc/37/04/79/136370479.db2.gz VDXFQMWKWRSSPO-XVKPBYJWSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000351785188 136370480 /nfs/dbraw/zinc/37/04/80/136370480.db2.gz VDXFQMWKWRSSPO-XVKPBYJWSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1C1CC1 ZINC000351786536 136370627 /nfs/dbraw/zinc/37/06/27/136370627.db2.gz XUAZIRRFNFDHQD-KWQFWETISA-N 1 2 236.319 0.734 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1C1CC1 ZINC000351786536 136370628 /nfs/dbraw/zinc/37/06/28/136370628.db2.gz XUAZIRRFNFDHQD-KWQFWETISA-N 1 2 236.319 0.734 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCC[C@H]1CO ZINC000083975288 343512150 /nfs/dbraw/zinc/51/21/50/343512150.db2.gz ZVRHOIJOTFKBKY-VIFPVBQESA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCC[C@H]1CO ZINC000083975288 343512152 /nfs/dbraw/zinc/51/21/52/343512152.db2.gz ZVRHOIJOTFKBKY-VIFPVBQESA-N 1 2 210.281 0.162 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C[C@H](C)O ZINC000083995510 343512979 /nfs/dbraw/zinc/51/29/79/343512979.db2.gz CDPORBQWAXJLRN-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C[C@H](C)O ZINC000083995510 343512983 /nfs/dbraw/zinc/51/29/83/343512983.db2.gz CDPORBQWAXJLRN-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO Cc1n[nH]c(C(=O)N(C)CC2C[NH+](C)C2)c1[O-] ZINC000618192729 343586789 /nfs/dbraw/zinc/58/67/89/343586789.db2.gz YKPFIBMJDLQTSJ-UHFFFAOYSA-N 1 2 238.291 0.057 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnns1 ZINC000048963338 343590740 /nfs/dbraw/zinc/59/07/40/343590740.db2.gz SXJGIFGBWVYDHF-ZETCQYMHSA-N 1 2 237.288 0.553 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cnsn1 ZINC000049086815 343592733 /nfs/dbraw/zinc/59/27/33/343592733.db2.gz PAVUVUZBKUZSTM-UHFFFAOYSA-N 1 2 237.288 0.544 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331143 343618240 /nfs/dbraw/zinc/61/82/40/343618240.db2.gz XGQCSYJOLHKICC-DTORHVGOSA-N 1 2 228.317 0.243 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000086331143 343618243 /nfs/dbraw/zinc/61/82/43/343618243.db2.gz XGQCSYJOLHKICC-DTORHVGOSA-N 1 2 228.317 0.243 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)on1 ZINC000052724402 343638202 /nfs/dbraw/zinc/63/82/02/343638202.db2.gz QLHWATBINOELPX-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)on1 ZINC000052724402 343638204 /nfs/dbraw/zinc/63/82/04/343638204.db2.gz QLHWATBINOELPX-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000570277633 323054838 /nfs/dbraw/zinc/05/48/38/323054838.db2.gz OGAKTRZBSVKRDZ-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000570277633 323054839 /nfs/dbraw/zinc/05/48/39/323054839.db2.gz OGAKTRZBSVKRDZ-SNVBAGLBSA-N 1 2 243.351 0.215 20 0 BCADLO C[C@@](O)(C[NH2+]CC(F)(F)CO)C(F)(F)F ZINC000379789641 343626087 /nfs/dbraw/zinc/62/60/87/343626087.db2.gz IWRZCLFPKQVNAM-RXMQYKEDSA-N 1 2 237.168 0.517 20 0 BCADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCO ZINC000602940531 349825363 /nfs/dbraw/zinc/82/53/63/349825363.db2.gz VTZJLDVDHUILMK-GFCCVEGCSA-N 1 2 237.299 0.743 20 0 BCADLO CCn1ccnc1C[NH2+]CC(=O)NC1CC1 ZINC000051921521 343629706 /nfs/dbraw/zinc/62/97/06/343629706.db2.gz ZYJJHXWLFKMICE-UHFFFAOYSA-N 1 2 222.292 0.271 20 0 BCADLO CC[C@H](COC)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000577054699 365795011 /nfs/dbraw/zinc/79/50/11/365795011.db2.gz ILIBEKJKMDHLET-VXNVDRBHSA-N 1 2 243.332 0.684 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2ccncn2)C1 ZINC000623027334 346955355 /nfs/dbraw/zinc/95/53/55/346955355.db2.gz GWCCNUBOWWSMHU-UHFFFAOYSA-N 1 2 234.303 0.435 20 0 BCADLO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000634699914 343685615 /nfs/dbraw/zinc/68/56/15/343685615.db2.gz QJVBHRBKULTXKW-VXGBXAGGSA-N 1 2 239.319 0.411 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(Cc1csnn1)C2 ZINC000625435834 343733256 /nfs/dbraw/zinc/73/32/56/343733256.db2.gz XOFQCTAICGXWKZ-UHFFFAOYSA-N 1 2 221.289 0.820 20 0 BCADLO c1cc(CN2CCc3[nH+]c[nH]c3C2)on1 ZINC000625436391 343733916 /nfs/dbraw/zinc/73/39/16/343733916.db2.gz OLYAGMJDXWVQIM-UHFFFAOYSA-N 1 2 204.233 0.956 20 0 BCADLO CCN1CC[C@@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000625434261 343735234 /nfs/dbraw/zinc/73/52/34/343735234.db2.gz LHIDOIJNYRDEJX-LLVKDONJSA-N 1 2 234.303 0.389 20 0 BCADLO CC[C@H](NC(=O)Cc1cc[nH]n1)c1[nH]cc[nH+]1 ZINC000140728152 537806480 /nfs/dbraw/zinc/80/64/80/537806480.db2.gz NZCMZZPOOVHVME-VIFPVBQESA-N 1 2 233.275 0.943 20 0 BCADLO CCC(O)(CC)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557630765 343714653 /nfs/dbraw/zinc/71/46/53/343714653.db2.gz HXIQNVIYNPRFEH-UHFFFAOYSA-N 1 2 242.363 0.996 20 0 BCADLO Cc1noc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000631396930 343715765 /nfs/dbraw/zinc/71/57/65/343715765.db2.gz DIVKRXRHTDZFRE-MRVPVSSYSA-N 1 2 247.258 0.319 20 0 BCADLO CN1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1=O ZINC000493562003 529827498 /nfs/dbraw/zinc/82/74/98/529827498.db2.gz UFWNNGOODXFTST-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO CCOC(=O)[C@]1(C)C[N@H+](CCOC)CCO1 ZINC000603001700 349852248 /nfs/dbraw/zinc/85/22/48/349852248.db2.gz OZFQRIADHPNHRS-NSHDSACASA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)[C@]1(C)C[N@@H+](CCOC)CCO1 ZINC000603001700 349852250 /nfs/dbraw/zinc/85/22/50/349852250.db2.gz OZFQRIADHPNHRS-NSHDSACASA-N 1 2 231.292 0.287 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ncc[nH]1 ZINC000286059132 537809090 /nfs/dbraw/zinc/80/90/90/537809090.db2.gz KPPSVIVWJKULMO-MRVPVSSYSA-N 1 2 222.292 0.587 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336441782 537810227 /nfs/dbraw/zinc/81/02/27/537810227.db2.gz BZOJHXGBQWBBMR-SFYZADRCSA-N 1 2 213.281 0.463 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336441782 537810233 /nfs/dbraw/zinc/81/02/33/537810233.db2.gz BZOJHXGBQWBBMR-SFYZADRCSA-N 1 2 213.281 0.463 20 0 BCADLO O=C(COCC(F)F)NCCc1[nH]cc[nH+]1 ZINC000625450488 343777939 /nfs/dbraw/zinc/77/79/39/343777939.db2.gz OQVURZRGVRTTPX-UHFFFAOYSA-N 1 2 233.218 0.350 20 0 BCADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000584146742 343765305 /nfs/dbraw/zinc/76/53/05/343765305.db2.gz YZSQSLGKDOJJBN-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO CNC(=O)CCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493464240 529854632 /nfs/dbraw/zinc/85/46/32/529854632.db2.gz WKMOFFGOLFLOOW-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO CN(CC1(O)CCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493121272 529854874 /nfs/dbraw/zinc/85/48/74/529854874.db2.gz KIHSZAWZBKLCCH-ONEGZZNKSA-N 1 2 235.287 0.796 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C)nc1 ZINC000507075415 529899345 /nfs/dbraw/zinc/89/93/45/529899345.db2.gz ALVOQUWOJINSGU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C)nc1 ZINC000507075415 529899347 /nfs/dbraw/zinc/89/93/47/529899347.db2.gz ALVOQUWOJINSGU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000625479352 343879671 /nfs/dbraw/zinc/87/96/71/343879671.db2.gz OUAQHGVIKJTGRI-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000625479352 343879673 /nfs/dbraw/zinc/87/96/73/343879673.db2.gz OUAQHGVIKJTGRI-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@](O)(CO)C2)o1 ZINC000625464186 343870870 /nfs/dbraw/zinc/87/08/70/343870870.db2.gz DRHJQJMHHHCALF-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@](O)(CO)C2)o1 ZINC000625464186 343870872 /nfs/dbraw/zinc/87/08/72/343870872.db2.gz DRHJQJMHHHCALF-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO c1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)n[nH]1 ZINC000625474747 343873803 /nfs/dbraw/zinc/87/38/03/343873803.db2.gz SSFOVQAWCSNGRG-UHFFFAOYSA-N 1 2 246.318 0.451 20 0 BCADLO CCO[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000625489582 343886082 /nfs/dbraw/zinc/88/60/82/343886082.db2.gz QZEHBPFAJMARKJ-JTQLQIEISA-N 1 2 223.276 0.841 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(CC2CCC2)nn1 ZINC000603204896 349887059 /nfs/dbraw/zinc/88/70/59/349887059.db2.gz XOQPQGUVRZAGCU-SNVBAGLBSA-N 1 2 238.291 0.121 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCc2ncnc(OC)c2C1 ZINC000106384911 347010627 /nfs/dbraw/zinc/01/06/27/347010627.db2.gz XFJOVQCBDRPPCK-SECBINFHSA-N 1 2 237.303 0.614 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCc2ncnc(OC)c2C1 ZINC000106384911 347010630 /nfs/dbraw/zinc/01/06/30/347010630.db2.gz XFJOVQCBDRPPCK-SECBINFHSA-N 1 2 237.303 0.614 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccco1 ZINC000090698654 343938077 /nfs/dbraw/zinc/93/80/77/343938077.db2.gz HUBKRNMZZDSAEQ-JTQLQIEISA-N 1 2 235.287 0.009 20 0 BCADLO CS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000407981972 343944037 /nfs/dbraw/zinc/94/40/37/343944037.db2.gz FNXHFKZTDGFHJL-UHFFFAOYSA-N 1 2 229.305 0.480 20 0 BCADLO CSCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000603214125 349894642 /nfs/dbraw/zinc/89/46/42/349894642.db2.gz BZTSRFOCCDWFBB-UHFFFAOYSA-N 1 2 242.348 0.473 20 0 BCADLO CSCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000603215301 349894789 /nfs/dbraw/zinc/89/47/89/349894789.db2.gz KLLWHJQLRQMMBK-UHFFFAOYSA-N 1 2 223.305 0.886 20 0 BCADLO CCO[C@H](C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000625518616 343915866 /nfs/dbraw/zinc/91/58/66/343915866.db2.gz XNVKCXBKEUYGFQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCO[C@H](C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000625518616 343915868 /nfs/dbraw/zinc/91/58/68/343915868.db2.gz XNVKCXBKEUYGFQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCCSCC(=O)NCC[NH+]1CCOCC1 ZINC000048384419 343924009 /nfs/dbraw/zinc/92/40/09/343924009.db2.gz UPDUZUKSYWAXNI-UHFFFAOYSA-N 1 2 246.376 0.578 20 0 BCADLO C[C@@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641190772 362266426 /nfs/dbraw/zinc/26/64/26/362266426.db2.gz PKBPRYXSLWLCGA-SECBINFHSA-N 1 2 242.348 0.208 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000393788942 343929267 /nfs/dbraw/zinc/92/92/67/343929267.db2.gz XMKKOORSKZQXJD-QMMMGPOBSA-N 1 2 228.292 0.196 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](O)C2)[nH]c1C ZINC000628119363 343970802 /nfs/dbraw/zinc/97/08/02/343970802.db2.gz ONUWQYKTKXBDKK-SNVBAGLBSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](O)C2)[nH]c1C ZINC000628119363 343970803 /nfs/dbraw/zinc/97/08/03/343970803.db2.gz ONUWQYKTKXBDKK-SNVBAGLBSA-N 1 2 209.293 0.983 20 0 BCADLO Cc1[nH]c(CN2CCC[C@@H](O)C2)[nH+]c1C ZINC000628119363 343970804 /nfs/dbraw/zinc/97/08/04/343970804.db2.gz ONUWQYKTKXBDKK-SNVBAGLBSA-N 1 2 209.293 0.983 20 0 BCADLO CSCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600417812 343950165 /nfs/dbraw/zinc/95/01/65/343950165.db2.gz BKPOFZZJQDPFRV-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CSCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600417812 343950166 /nfs/dbraw/zinc/95/01/66/343950166.db2.gz BKPOFZZJQDPFRV-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(N)=O)n1 ZINC000092695986 343961031 /nfs/dbraw/zinc/96/10/31/343961031.db2.gz AMNQNHPZSWZAEU-SECBINFHSA-N 1 2 207.277 0.696 20 0 BCADLO Cc1cccc(C[N@H+](C)[C@H](C)C(N)=O)n1 ZINC000092695986 343961034 /nfs/dbraw/zinc/96/10/34/343961034.db2.gz AMNQNHPZSWZAEU-SECBINFHSA-N 1 2 207.277 0.696 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727558 344058719 /nfs/dbraw/zinc/05/87/19/344058719.db2.gz YLQTYWCZULNMAR-NSHDSACASA-N 1 2 218.256 0.596 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727558 344058721 /nfs/dbraw/zinc/05/87/21/344058721.db2.gz YLQTYWCZULNMAR-NSHDSACASA-N 1 2 218.256 0.596 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC1(C)COC1 ZINC000625791198 344075411 /nfs/dbraw/zinc/07/54/11/344075411.db2.gz KYCZMMNHHNNTBA-QMMMGPOBSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC1(C)COC1 ZINC000625791198 344075414 /nfs/dbraw/zinc/07/54/14/344075414.db2.gz KYCZMMNHHNNTBA-QMMMGPOBSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(N)=O)ncn1 ZINC000641287582 362344821 /nfs/dbraw/zinc/34/48/21/362344821.db2.gz NQBWQTVYYCLPNL-MRVPVSSYSA-N 1 2 246.274 0.273 20 0 BCADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1nncn1C ZINC000641293866 362348230 /nfs/dbraw/zinc/34/82/30/362348230.db2.gz CGZISFYDVUSRLU-MRVPVSSYSA-N 1 2 233.275 0.876 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC2(C)COC2)n1 ZINC000625790561 344078076 /nfs/dbraw/zinc/07/80/76/344078076.db2.gz DMMYBBGFXLYRRD-UHFFFAOYSA-N 1 2 240.307 0.604 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000625790561 344078078 /nfs/dbraw/zinc/07/80/78/344078078.db2.gz DMMYBBGFXLYRRD-UHFFFAOYSA-N 1 2 240.307 0.604 20 0 BCADLO C[C@H]1CC[C@H](C(N)=O)CN1c1cc(CO)cc[nH+]1 ZINC000641298418 362352140 /nfs/dbraw/zinc/35/21/40/362352140.db2.gz CKFBOOGKJPYDIZ-ONGXEEELSA-N 1 2 249.314 0.664 20 0 BCADLO CNC(=O)CCNc1cc(CO)cc[nH+]1 ZINC000641300730 362352344 /nfs/dbraw/zinc/35/23/44/362352344.db2.gz HIWWMMUYLHQIHY-UHFFFAOYSA-N 1 2 209.249 0.122 20 0 BCADLO OCCOCCNc1cc[nH+]cc1F ZINC000641255649 362334390 /nfs/dbraw/zinc/33/43/90/362334390.db2.gz HMINQBAAQNKUOJ-UHFFFAOYSA-N 1 2 200.213 0.063 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1O ZINC000221464327 259373291 /nfs/dbraw/zinc/37/32/91/259373291.db2.gz KTCQNVMAZJWFBN-IUCAKERBSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1O ZINC000221464327 259373294 /nfs/dbraw/zinc/37/32/94/259373294.db2.gz KTCQNVMAZJWFBN-IUCAKERBSA-N 1 2 210.281 0.018 20 0 BCADLO CCN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641311248 362358441 /nfs/dbraw/zinc/35/84/41/362358441.db2.gz MYIZEPDRHCAVBH-UHFFFAOYSA-N 1 2 217.294 0.165 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000234580864 344154058 /nfs/dbraw/zinc/15/40/58/344154058.db2.gz WFDACVXQUGGPFD-NXEZZACHSA-N 1 2 213.277 0.707 20 0 BCADLO O=C1C[C@@]2(CC[N@@H+](CC(F)F)C2)CN1 ZINC000684004918 488254782 /nfs/dbraw/zinc/25/47/82/488254782.db2.gz GSKOWMPQTOSYDF-VIFPVBQESA-N 1 2 204.220 0.464 20 0 BCADLO O=C1C[C@@]2(CC[N@H+](CC(F)F)C2)CN1 ZINC000684004918 488254783 /nfs/dbraw/zinc/25/47/83/488254783.db2.gz GSKOWMPQTOSYDF-VIFPVBQESA-N 1 2 204.220 0.464 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCCCN(C)C1=O ZINC000634739869 344162384 /nfs/dbraw/zinc/16/23/84/344162384.db2.gz HXHOZTWEDXJPGB-SNVBAGLBSA-N 1 2 236.319 0.852 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634759509 344233246 /nfs/dbraw/zinc/23/32/46/344233246.db2.gz KWMMZENYEMJCLX-MRVPVSSYSA-N 1 2 207.220 0.931 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634759509 344233249 /nfs/dbraw/zinc/23/32/49/344233249.db2.gz KWMMZENYEMJCLX-MRVPVSSYSA-N 1 2 207.220 0.931 20 0 BCADLO CN(C)c1ccc(CSCC(N)=O)c[nH+]1 ZINC000600559127 344272729 /nfs/dbraw/zinc/27/27/29/344272729.db2.gz YGYQSGLADCYWDY-UHFFFAOYSA-N 1 2 225.317 0.866 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869686 344242948 /nfs/dbraw/zinc/24/29/48/344242948.db2.gz BREYASDGBVIVNQ-ZETCQYMHSA-N 1 2 226.305 0.296 20 0 BCADLO Cc1nnsc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869686 344242949 /nfs/dbraw/zinc/24/29/49/344242949.db2.gz BREYASDGBVIVNQ-ZETCQYMHSA-N 1 2 226.305 0.296 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000093760010 344322134 /nfs/dbraw/zinc/32/21/34/344322134.db2.gz RXLHRWJUWIBAPZ-UHFFFAOYSA-N 1 2 210.281 0.496 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc[nH]n1 ZINC000093760010 344322137 /nfs/dbraw/zinc/32/21/37/344322137.db2.gz RXLHRWJUWIBAPZ-UHFFFAOYSA-N 1 2 210.281 0.496 20 0 BCADLO CCn1cnnc1CCNc1cc[nH+]cc1F ZINC000641380183 362384458 /nfs/dbraw/zinc/38/44/58/362384458.db2.gz FHTIFXPFRLCQKD-UHFFFAOYSA-N 1 2 235.266 0.909 20 0 BCADLO CC[C@@H]([NH2+][C@@H](CCOC)COC)C(=O)OC ZINC000309395144 347046357 /nfs/dbraw/zinc/04/63/57/347046357.db2.gz UKDKDOMOEYXTNM-VHSXEESVSA-N 1 2 233.308 0.579 20 0 BCADLO C[C@H](c1ccncc1)[NH+]1CCN(CCO)CC1 ZINC000600618369 344340319 /nfs/dbraw/zinc/34/03/19/344340319.db2.gz LENABUBYLPEMMV-GFCCVEGCSA-N 1 2 235.331 0.753 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000600634338 344347416 /nfs/dbraw/zinc/34/74/16/344347416.db2.gz LBBIMALNTRWGRJ-MWLCHTKSSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000600634338 344347419 /nfs/dbraw/zinc/34/74/19/344347419.db2.gz LBBIMALNTRWGRJ-MWLCHTKSSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)c1[nH+]ccn1C ZINC000620603041 344352780 /nfs/dbraw/zinc/35/27/80/344352780.db2.gz DTHUQLBNXAQNLU-SSDOTTSWSA-N 1 2 220.232 0.899 20 0 BCADLO C[N@@H+]1CCN(c2ncncc2Cl)[C@@H](CO)C1 ZINC000634801661 344384757 /nfs/dbraw/zinc/38/47/57/344384757.db2.gz HQSFNNYNSWJFMJ-MRVPVSSYSA-N 1 2 242.710 0.243 20 0 BCADLO C[N@H+]1CCN(c2ncncc2Cl)[C@@H](CO)C1 ZINC000634801661 344384758 /nfs/dbraw/zinc/38/47/58/344384758.db2.gz HQSFNNYNSWJFMJ-MRVPVSSYSA-N 1 2 242.710 0.243 20 0 BCADLO CCc1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000380716641 344434109 /nfs/dbraw/zinc/43/41/09/344434109.db2.gz NXMBPJMIRXDCFD-SECBINFHSA-N 1 2 220.276 0.682 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(C)C1 ZINC000684082025 488261632 /nfs/dbraw/zinc/26/16/32/488261632.db2.gz TZWWMIQQKBQLJW-UHFFFAOYSA-N 1 2 207.277 0.831 20 0 BCADLO CC[C@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000573740034 344509424 /nfs/dbraw/zinc/50/94/24/344509424.db2.gz WWKMDIBEDYXDNX-GFCCVEGCSA-N 1 2 228.336 0.605 20 0 BCADLO Cn1cc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000041979599 344442020 /nfs/dbraw/zinc/44/20/20/344442020.db2.gz WIMVXECKJDJXGD-UHFFFAOYSA-N 1 2 219.248 0.047 20 0 BCADLO NC(=O)CCn1cc[nH+]c1-c1cccnc1 ZINC000151946917 344471142 /nfs/dbraw/zinc/47/11/42/344471142.db2.gz UCDTUDPRFSOQSL-UHFFFAOYSA-N 1 2 216.244 0.821 20 0 BCADLO Cc1nc(N2CCOCC2)nc(N(C)C)[nH+]1 ZINC000408328748 344507504 /nfs/dbraw/zinc/50/75/04/344507504.db2.gz KQKQNJGIUSLQNO-UHFFFAOYSA-N 1 2 223.280 0.083 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCOCC2)[nH+]1 ZINC000408328748 344507506 /nfs/dbraw/zinc/50/75/06/344507506.db2.gz KQKQNJGIUSLQNO-UHFFFAOYSA-N 1 2 223.280 0.083 20 0 BCADLO C[NH+]1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC000622272297 344479754 /nfs/dbraw/zinc/47/97/54/344479754.db2.gz RSLFCPGGJYSTRA-UHFFFAOYSA-N 1 2 246.314 0.742 20 0 BCADLO COCCn1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000381240314 344488229 /nfs/dbraw/zinc/48/82/29/344488229.db2.gz AEKYUSQWZNUZLT-UHFFFAOYSA-N 1 2 221.264 0.865 20 0 BCADLO O=C(C1=CCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000622936219 344494470 /nfs/dbraw/zinc/49/44/70/344494470.db2.gz GJPFMBVCFJBPFC-GFCCVEGCSA-N 1 2 236.315 0.640 20 0 BCADLO C[C@H]1CSC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000306928131 344518396 /nfs/dbraw/zinc/51/83/96/344518396.db2.gz WWHZOPXGTKWKIY-NKWVEPMBSA-N 1 2 213.310 0.051 20 0 BCADLO Cc1cnc(C[NH2+]CCNC(=O)C2CC2)o1 ZINC000381575794 344522125 /nfs/dbraw/zinc/52/21/25/344522125.db2.gz ZUTSCGYNVKIJIJ-UHFFFAOYSA-N 1 2 223.276 0.599 20 0 BCADLO Cn1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC000381592858 344524344 /nfs/dbraw/zinc/52/43/44/344524344.db2.gz KFGGYIGIYMAYRX-UHFFFAOYSA-N 1 2 218.260 0.811 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000043627701 344528918 /nfs/dbraw/zinc/52/89/18/344528918.db2.gz RVLNHOTYUMASBS-IUCAKERBSA-N 1 2 211.265 0.423 20 0 BCADLO COC(=O)[C@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000603316039 349912369 /nfs/dbraw/zinc/91/23/69/349912369.db2.gz CGKNHLRQJJZYHN-SECBINFHSA-N 1 2 238.287 0.819 20 0 BCADLO Cn1c[nH+]cc1CCn1nc2ccccn2c1=O ZINC000641440713 362420203 /nfs/dbraw/zinc/42/02/03/362420203.db2.gz OYAUBMLIRJVGOF-UHFFFAOYSA-N 1 2 243.270 0.472 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC1 ZINC000049153022 344598977 /nfs/dbraw/zinc/59/89/77/344598977.db2.gz WFKAXQCHDNJKTJ-QMMMGPOBSA-N 1 2 208.265 0.733 20 0 BCADLO CNC(=O)C(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641451893 362425369 /nfs/dbraw/zinc/42/53/69/362425369.db2.gz WILQQCWYWMAMKR-UHFFFAOYSA-N 1 2 237.303 0.758 20 0 BCADLO O[C@@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641460798 362433373 /nfs/dbraw/zinc/43/33/73/362433373.db2.gz COUTXSVJXCPUJZ-SNVBAGLBSA-N 1 2 212.224 0.206 20 0 BCADLO CN(c1cc[nH+]cc1F)[C@@H]1CCNC1=O ZINC000641462803 362434218 /nfs/dbraw/zinc/43/42/18/362434218.db2.gz CKGMTEMDVSOPFJ-SECBINFHSA-N 1 2 209.224 0.545 20 0 BCADLO CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047676254 344581940 /nfs/dbraw/zinc/58/19/40/344581940.db2.gz HIWFEPCLSQYMQA-SECBINFHSA-N 1 2 210.281 0.981 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC1 ZINC000049153026 344599032 /nfs/dbraw/zinc/59/90/32/344599032.db2.gz WFKAXQCHDNJKTJ-MRVPVSSYSA-N 1 2 208.265 0.733 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048780925 344589477 /nfs/dbraw/zinc/58/94/77/344589477.db2.gz WCOBTTHNTYPIGS-BDAKNGLRSA-N 1 2 211.265 0.423 20 0 BCADLO Fc1c[nH+]ccc1N1CCn2ncnc2C1 ZINC000641497971 362461961 /nfs/dbraw/zinc/46/19/61/362461961.db2.gz UIZVJZXTNWBCHT-UHFFFAOYSA-N 1 2 219.223 0.832 20 0 BCADLO CCN(C)C(=O)CNc1cc[nH+]cc1F ZINC000641499874 362463463 /nfs/dbraw/zinc/46/34/63/362463463.db2.gz LOCMNILURWHMCY-UHFFFAOYSA-N 1 2 211.240 0.533 20 0 BCADLO CC[C@]1(O)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641506249 362465205 /nfs/dbraw/zinc/46/52/05/362465205.db2.gz YEIADXVGEZGYQX-LBPRGKRZSA-N 1 2 222.288 0.925 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)NCCCCF ZINC000641505674 362468970 /nfs/dbraw/zinc/46/89/70/362468970.db2.gz TVXBUGSOOYZIQH-UHFFFAOYSA-N 1 2 249.311 0.552 20 0 BCADLO C[C@@H](F)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641514350 362470733 /nfs/dbraw/zinc/47/07/33/362470733.db2.gz LDWQKVFAZRGGLU-SECBINFHSA-N 1 2 249.311 0.551 20 0 BCADLO CN(CC1(CO)CC1)c1cc(CO)cc[nH+]1 ZINC000641521394 362479044 /nfs/dbraw/zinc/47/90/44/362479044.db2.gz PGKINWRGSCRUGS-UHFFFAOYSA-N 1 2 222.288 0.783 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625999327 344661078 /nfs/dbraw/zinc/66/10/78/344661078.db2.gz PMMPKEWQWMLHDD-UWVGGRQHSA-N 1 2 232.299 0.524 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000625999327 344661080 /nfs/dbraw/zinc/66/10/80/344661080.db2.gz PMMPKEWQWMLHDD-UWVGGRQHSA-N 1 2 232.299 0.524 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002557 344663379 /nfs/dbraw/zinc/66/33/79/344663379.db2.gz PXOOCFKTSVNWAJ-IUCAKERBSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626002557 344663381 /nfs/dbraw/zinc/66/33/81/344663381.db2.gz PXOOCFKTSVNWAJ-IUCAKERBSA-N 1 2 218.272 0.311 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626003079 344663712 /nfs/dbraw/zinc/66/37/12/344663712.db2.gz ZNABQJOIVXISRQ-VHSXEESVSA-N 1 2 230.283 0.278 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626003079 344663715 /nfs/dbraw/zinc/66/37/15/344663715.db2.gz ZNABQJOIVXISRQ-VHSXEESVSA-N 1 2 230.283 0.278 20 0 BCADLO FCC[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000626005378 344667716 /nfs/dbraw/zinc/66/77/16/344667716.db2.gz BNNIDPRQEXNXIW-JTQLQIEISA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000626005378 344667719 /nfs/dbraw/zinc/66/77/19/344667719.db2.gz BNNIDPRQEXNXIW-JTQLQIEISA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000626005378 344667722 /nfs/dbraw/zinc/66/77/22/344667722.db2.gz BNNIDPRQEXNXIW-JTQLQIEISA-N 1 2 228.271 0.408 20 0 BCADLO FCC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000626005378 344667725 /nfs/dbraw/zinc/66/77/25/344667725.db2.gz BNNIDPRQEXNXIW-JTQLQIEISA-N 1 2 228.271 0.408 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005648 344668512 /nfs/dbraw/zinc/66/85/12/344668512.db2.gz HCRWSMDWCORLIN-MNOVXSKESA-N 1 2 233.283 0.387 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005648 344668514 /nfs/dbraw/zinc/66/85/14/344668514.db2.gz HCRWSMDWCORLIN-MNOVXSKESA-N 1 2 233.283 0.387 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)nc1 ZINC000626077738 344722632 /nfs/dbraw/zinc/72/26/32/344722632.db2.gz PWSKGFBTQFVUBG-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)nc1 ZINC000626077738 344722633 /nfs/dbraw/zinc/72/26/33/344722633.db2.gz PWSKGFBTQFVUBG-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOC(C)C ZINC000050066496 344718409 /nfs/dbraw/zinc/71/84/09/344718409.db2.gz LBVXRHBIASSQTK-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOC(C)C ZINC000050066496 344718411 /nfs/dbraw/zinc/71/84/11/344718411.db2.gz LBVXRHBIASSQTK-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO O=C1C[N@H+](CCc2ccc3c(c2)CCO3)CCN1 ZINC000075592868 344780557 /nfs/dbraw/zinc/78/05/57/344780557.db2.gz VYACPPHAKYXMKK-UHFFFAOYSA-N 1 2 246.310 0.596 20 0 BCADLO O=C1C[N@@H+](CCc2ccc3c(c2)CCO3)CCN1 ZINC000075592868 344780559 /nfs/dbraw/zinc/78/05/59/344780559.db2.gz VYACPPHAKYXMKK-UHFFFAOYSA-N 1 2 246.310 0.596 20 0 BCADLO CCc1nncn1CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000075222133 344769128 /nfs/dbraw/zinc/76/91/28/344769128.db2.gz APGQMVHEUXNUMA-UHFFFAOYSA-N 1 2 248.290 0.302 20 0 BCADLO C[N@H+](CCO)Cc1nc(CC(F)(F)F)no1 ZINC000075622337 344781058 /nfs/dbraw/zinc/78/10/58/344781058.db2.gz XHRREWMJMSAOKL-UHFFFAOYSA-N 1 2 239.197 0.599 20 0 BCADLO C[N@@H+](CCO)Cc1nc(CC(F)(F)F)no1 ZINC000075622337 344781060 /nfs/dbraw/zinc/78/10/60/344781060.db2.gz XHRREWMJMSAOKL-UHFFFAOYSA-N 1 2 239.197 0.599 20 0 BCADLO Cc1cnc(C[N@H+](CCO)CCCO)o1 ZINC000075720365 344777902 /nfs/dbraw/zinc/77/79/02/344777902.db2.gz WLFZKLZZTZQERO-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)CCCO)o1 ZINC000075720365 344777904 /nfs/dbraw/zinc/77/79/04/344777904.db2.gz WLFZKLZZTZQERO-UHFFFAOYSA-N 1 2 214.265 0.160 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1ccnn1 ZINC000075848809 344785559 /nfs/dbraw/zinc/78/55/59/344785559.db2.gz YTCXDPSOKOOWNM-SNVBAGLBSA-N 1 2 248.290 0.070 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1cccn1 ZINC000076812477 344806793 /nfs/dbraw/zinc/80/67/93/344806793.db2.gz INXTYGYFURRQQQ-OHUAYANFSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1cccn1 ZINC000076812477 344806795 /nfs/dbraw/zinc/80/67/95/344806795.db2.gz INXTYGYFURRQQQ-OHUAYANFSA-N 1 2 241.360 0.724 20 0 BCADLO Cc1ncncc1C(=O)NCc1c[nH+]cn1C ZINC000291331666 537860897 /nfs/dbraw/zinc/86/08/97/537860897.db2.gz VOGVKEDJCWNAHK-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CN(C[C@H]1CCCO1)C(=O)CCn1cc[nH+]c1 ZINC000076968025 344811576 /nfs/dbraw/zinc/81/15/76/344811576.db2.gz RORUZXBEBVJXPQ-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387776100 347081385 /nfs/dbraw/zinc/08/13/85/347081385.db2.gz GWHFUYIYWTYWSY-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387776100 347081386 /nfs/dbraw/zinc/08/13/86/347081386.db2.gz GWHFUYIYWTYWSY-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CCn2cncn2)n1 ZINC000560538770 344816899 /nfs/dbraw/zinc/81/68/99/344816899.db2.gz PKPUJOMHDZQTMZ-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC000560538770 344816900 /nfs/dbraw/zinc/81/69/00/344816900.db2.gz PKPUJOMHDZQTMZ-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)nn1C ZINC000077568615 344822721 /nfs/dbraw/zinc/82/27/21/344822721.db2.gz QJERYMUNVZPTJN-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000588936114 344823149 /nfs/dbraw/zinc/82/31/49/344823149.db2.gz JAIHKYVNEJUVLY-GRYCIOLGSA-N 1 2 239.363 0.395 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000628159454 344854643 /nfs/dbraw/zinc/85/46/43/344854643.db2.gz QYJBIDWYFISXKN-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000628159454 344854644 /nfs/dbraw/zinc/85/46/44/344854644.db2.gz QYJBIDWYFISXKN-JTQLQIEISA-N 1 2 235.287 0.790 20 0 BCADLO Cc1c[nH]c(CN2CC(=O)N[C@H]3CCCC[C@H]32)[nH+]1 ZINC000628159771 344855610 /nfs/dbraw/zinc/85/56/10/344855610.db2.gz XBXNYROZOGADNE-WDEREUQCSA-N 1 2 248.330 0.961 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000678721997 488279009 /nfs/dbraw/zinc/27/90/09/488279009.db2.gz PROQHBZYNZOWKV-RXMQYKEDSA-N 1 2 218.207 0.597 20 0 BCADLO Cc1[nH]c(CN2C[C@H](CO)OC[C@@H]2C)[nH+]c1C ZINC000628190265 344943625 /nfs/dbraw/zinc/94/36/25/344943625.db2.gz ACCFQOXDDSEMJI-GZMMTYOYSA-N 1 2 239.319 0.608 20 0 BCADLO COC[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000583432621 344949024 /nfs/dbraw/zinc/94/90/24/344949024.db2.gz DVNZYTMHIRRCGG-VIFPVBQESA-N 1 2 225.292 0.361 20 0 BCADLO OC[C@@H](CNc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641549122 362497517 /nfs/dbraw/zinc/49/75/17/362497517.db2.gz SYEDCXNOEFOGLP-NXEZZACHSA-N 1 2 240.278 0.700 20 0 BCADLO C[C@H]1CN(c2cc[nH+]cc2F)CC(=O)N1C ZINC000641556183 362500474 /nfs/dbraw/zinc/50/04/74/362500474.db2.gz WKCDTPARHPLULO-QMMMGPOBSA-N 1 2 223.251 0.888 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2C[C@@]2(O)C1 ZINC000641576717 362512087 /nfs/dbraw/zinc/51/20/87/362512087.db2.gz VLQGXFKICCCGOG-GIPNMCIBSA-N 1 2 247.298 0.039 20 0 BCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCCC1 ZINC000154229301 345021902 /nfs/dbraw/zinc/02/19/02/345021902.db2.gz VUPFNWJQYWGVRI-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCCC1 ZINC000154229301 345021903 /nfs/dbraw/zinc/02/19/03/345021903.db2.gz VUPFNWJQYWGVRI-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000408278634 345025036 /nfs/dbraw/zinc/02/50/36/345025036.db2.gz XJCHHPNQNLOTLN-WEDXCCLWSA-N 1 2 212.293 0.360 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000408278634 345025037 /nfs/dbraw/zinc/02/50/37/345025037.db2.gz XJCHHPNQNLOTLN-WEDXCCLWSA-N 1 2 212.293 0.360 20 0 BCADLO CCOC[C@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000079767317 345033373 /nfs/dbraw/zinc/03/33/73/345033373.db2.gz HMSKNZLKIIZXSM-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC[C@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000079767317 345033377 /nfs/dbraw/zinc/03/33/77/345033377.db2.gz HMSKNZLKIIZXSM-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@](F)(CO)C2)c1 ZINC000641560008 362505741 /nfs/dbraw/zinc/50/57/41/362505741.db2.gz WTVHVQIZMQBNQJ-NSHDSACASA-N 1 2 226.251 0.485 20 0 BCADLO CCN1C[C@H](Nc2cc(CO)cc[nH+]2)CC1=O ZINC000641619346 362550474 /nfs/dbraw/zinc/55/04/74/362550474.db2.gz FGUSKNZYNIKCEW-SNVBAGLBSA-N 1 2 235.287 0.607 20 0 BCADLO CCN1C[C@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641620159 362551624 /nfs/dbraw/zinc/55/16/24/362551624.db2.gz OEPDRBCQSOFAPS-MRVPVSSYSA-N 1 2 223.251 0.675 20 0 BCADLO c1nnc2n1CCN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000408300267 345081733 /nfs/dbraw/zinc/08/17/33/345081733.db2.gz HMFNIYUBOMKMAY-UHFFFAOYSA-N 1 2 242.286 0.966 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1cc[nH+]cc1F ZINC000641647682 362574084 /nfs/dbraw/zinc/57/40/84/362574084.db2.gz BNJPGCKVGFXLPP-SSDOTTSWSA-N 1 2 209.224 0.845 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)CC ZINC000395424329 362575210 /nfs/dbraw/zinc/57/52/10/362575210.db2.gz DELZCWDLASGIHC-UHFFFAOYSA-N 1 2 217.294 0.342 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)NCC2CC2)[C@H]1C ZINC000156073029 345122502 /nfs/dbraw/zinc/12/25/02/345122502.db2.gz DIINVANSVOBXQB-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)NCC2CC2)[C@H]1C ZINC000156073029 345122505 /nfs/dbraw/zinc/12/25/05/345122505.db2.gz DIINVANSVOBXQB-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO CN(Cc1cn(C)nn1)c1cc(CO)cc[nH+]1 ZINC000641658069 362582514 /nfs/dbraw/zinc/58/25/14/362582514.db2.gz ALUPMQQLBPNVNQ-UHFFFAOYSA-N 1 2 233.275 0.339 20 0 BCADLO Cn1nccc1[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641629566 362560271 /nfs/dbraw/zinc/56/02/71/362560271.db2.gz JAJRQOZGHRCKAM-JTQLQIEISA-N 1 2 248.286 0.453 20 0 BCADLO CCOC(=O)CN(CC)Cc1c[nH+]c[nH]1 ZINC000092399542 345113933 /nfs/dbraw/zinc/11/39/33/345113933.db2.gz RALPSSZSHIPCFU-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCOC(=O)CN(CC)Cc1c[nH]c[nH+]1 ZINC000092399542 345113937 /nfs/dbraw/zinc/11/39/37/345113937.db2.gz RALPSSZSHIPCFU-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO C[C@H]([NH2+]Cc1ccon1)C1(S(C)(=O)=O)CC1 ZINC000634981044 345164317 /nfs/dbraw/zinc/16/43/17/345164317.db2.gz VQDYRTPECADPDH-QMMMGPOBSA-N 1 2 244.316 0.730 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2ccon2)CS1(=O)=O ZINC000634985832 345164870 /nfs/dbraw/zinc/16/48/70/345164870.db2.gz DPWMBWPQAMVXPN-WCBMZHEXSA-N 1 2 244.316 0.730 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156249469 345138360 /nfs/dbraw/zinc/13/83/60/345138360.db2.gz DGNMDVWLJGYVTQ-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158306961 345319137 /nfs/dbraw/zinc/31/91/37/345319137.db2.gz HFZGSKPJFVAEDX-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCCC2)C1 ZINC000158306961 345319139 /nfs/dbraw/zinc/31/91/39/345319139.db2.gz HFZGSKPJFVAEDX-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO COc1ccncc1CNC(=O)Cn1cc[nH+]c1 ZINC000562051802 345276701 /nfs/dbraw/zinc/27/67/01/345276701.db2.gz OWOYQPLLANDRFU-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2c[nH]nc2C)[nH+]1 ZINC000635224025 345277968 /nfs/dbraw/zinc/27/79/68/345277968.db2.gz APZXBFYJYJODNI-UHFFFAOYSA-N 1 2 247.302 0.863 20 0 BCADLO CC(C)C[C@@H](C(=O)N[C@@H](C)CO)n1cc[nH+]c1 ZINC000635250061 345287364 /nfs/dbraw/zinc/28/73/64/345287364.db2.gz KTROAOXKMGQERG-QWRGUYRKSA-N 1 2 239.319 0.967 20 0 BCADLO CC(C)C[C@H](C(=O)N[C@@H](C)CO)n1cc[nH+]c1 ZINC000635250062 345287585 /nfs/dbraw/zinc/28/75/85/345287585.db2.gz KTROAOXKMGQERG-WDEREUQCSA-N 1 2 239.319 0.967 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635327431 345308527 /nfs/dbraw/zinc/30/85/27/345308527.db2.gz WAOQDHAPLCVYEL-LPEHRKFASA-N 1 2 223.276 0.159 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2CCOC2)[nH]1 ZINC000158464349 345335861 /nfs/dbraw/zinc/33/58/61/345335861.db2.gz ISYYMFCDDZXNLQ-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2CCOC2)[nH]1 ZINC000158464349 345335863 /nfs/dbraw/zinc/33/58/63/345335863.db2.gz ISYYMFCDDZXNLQ-QMMMGPOBSA-N 1 2 210.281 0.588 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)COC(C)(C)C)C1 ZINC000158566473 345349999 /nfs/dbraw/zinc/34/99/99/345349999.db2.gz MQPBAOUBZVUTKE-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)COC(C)(C)C)C1 ZINC000158566473 345350001 /nfs/dbraw/zinc/35/00/01/345350001.db2.gz MQPBAOUBZVUTKE-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO Cc1nc(N2CC(O)(C(F)F)C2)cc[nH+]1 ZINC000425272583 192087396 /nfs/dbraw/zinc/08/73/96/192087396.db2.gz GVSDRYSJALOZRL-UHFFFAOYSA-N 1 2 215.203 0.601 20 0 BCADLO Cn1cc[nH+]c1CSCCc1nn[nH]n1 ZINC000603337606 349928323 /nfs/dbraw/zinc/92/83/23/349928323.db2.gz AVJLHLOUPQELKA-UHFFFAOYSA-N 1 2 224.293 0.409 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 ZINC000425279424 192088260 /nfs/dbraw/zinc/08/82/60/192088260.db2.gz FUBOZQCJZKWQNU-IWSPIJDZSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@@H]2CC[C@H]2O)[nH+]cn1 ZINC000425279424 192088261 /nfs/dbraw/zinc/08/82/61/192088261.db2.gz FUBOZQCJZKWQNU-IWSPIJDZSA-N 1 2 238.291 0.205 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135582125 345446036 /nfs/dbraw/zinc/44/60/36/345446036.db2.gz WKUJRDRUBZNCAN-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135582125 345446038 /nfs/dbraw/zinc/44/60/38/345446038.db2.gz WKUJRDRUBZNCAN-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCOC1 ZINC000158967315 345392452 /nfs/dbraw/zinc/39/24/52/345392452.db2.gz YYYUTJCDKLVECJ-VHSXEESVSA-N 1 2 238.291 0.360 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000635497239 345399757 /nfs/dbraw/zinc/39/97/57/345399757.db2.gz XRQKOJPNXVMFQZ-SNVBAGLBSA-N 1 2 239.319 0.833 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000641674798 362593895 /nfs/dbraw/zinc/59/38/95/362593895.db2.gz JWIYSEWCAVCAGY-IUCAKERBSA-N 1 2 225.292 0.739 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000641674798 362593899 /nfs/dbraw/zinc/59/38/99/362593899.db2.gz JWIYSEWCAVCAGY-IUCAKERBSA-N 1 2 225.292 0.739 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000378713302 345492750 /nfs/dbraw/zinc/49/27/50/345492750.db2.gz VXZGLVAPILCBFW-VXNVDRBHSA-N 1 2 201.266 0.563 20 0 BCADLO COC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000641675306 362596071 /nfs/dbraw/zinc/59/60/71/362596071.db2.gz NAHZTFWWNZSCCN-VHSXEESVSA-N 1 2 225.292 0.985 20 0 BCADLO C[C@@H](O)C1CN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000641659185 362584120 /nfs/dbraw/zinc/58/41/20/362584120.db2.gz LRGJRSBTBZJECX-SECBINFHSA-N 1 2 248.330 0.282 20 0 BCADLO C[C@@H](O)C1CN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000641659185 362584128 /nfs/dbraw/zinc/58/41/28/362584128.db2.gz LRGJRSBTBZJECX-SECBINFHSA-N 1 2 248.330 0.282 20 0 BCADLO Cc1nnc(CN(C)c2cc(CO)cc[nH+]2)o1 ZINC000641659764 362585056 /nfs/dbraw/zinc/58/50/56/362585056.db2.gz URUKLTBTAZEXOQ-UHFFFAOYSA-N 1 2 234.259 0.902 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000641659669 362585143 /nfs/dbraw/zinc/58/51/43/362585143.db2.gz QPAKWGZMWCVTRA-CMPLNLGQSA-N 1 2 220.272 0.535 20 0 BCADLO Cc1nc[nH]c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000635538339 345507301 /nfs/dbraw/zinc/50/73/01/345507301.db2.gz PEJNIQWVUYZXKG-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081419272 345473896 /nfs/dbraw/zinc/47/38/96/345473896.db2.gz BLOXKMXSHPLSRZ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCC(C)(C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081419272 345473898 /nfs/dbraw/zinc/47/38/98/345473898.db2.gz BLOXKMXSHPLSRZ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000081436096 345474637 /nfs/dbraw/zinc/47/46/37/345474637.db2.gz WGNWDLGZWHITDZ-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000081436096 345474639 /nfs/dbraw/zinc/47/46/39/345474639.db2.gz WGNWDLGZWHITDZ-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCN(C)C1=O ZINC000635535364 345487622 /nfs/dbraw/zinc/48/76/22/345487622.db2.gz MRSWTVVGCFWNQV-ZDUSSCGKSA-N 1 2 247.298 0.619 20 0 BCADLO CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000068951139 349931794 /nfs/dbraw/zinc/93/17/94/349931794.db2.gz YWOBLZFXCGXWEW-VHSXEESVSA-N 1 2 233.308 0.171 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000635544788 345562026 /nfs/dbraw/zinc/56/20/26/345562026.db2.gz MMEMMRSIEGPVAN-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CNC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000170645834 345567020 /nfs/dbraw/zinc/56/70/20/345567020.db2.gz VMSBBIPDCSRRKB-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CNC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000170645834 345567024 /nfs/dbraw/zinc/56/70/24/345567024.db2.gz VMSBBIPDCSRRKB-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CC[NH+]1CCC(N(C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091589209 345600384 /nfs/dbraw/zinc/60/03/84/345600384.db2.gz KCMGMHUPBONFEF-UHFFFAOYSA-N 1 2 239.323 0.014 20 0 BCADLO O=c1[nH]nc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)[nH]1 ZINC000091589822 345600591 /nfs/dbraw/zinc/60/05/91/345600591.db2.gz JDVUCBFDUJHFKZ-IUCAKERBSA-N 1 2 222.292 0.720 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092198956 345606650 /nfs/dbraw/zinc/60/66/50/345606650.db2.gz DNZOBYIAHYYULL-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000092281151 345627143 /nfs/dbraw/zinc/62/71/43/345627143.db2.gz HSNVAKAPJRUZPD-VHSXEESVSA-N 1 2 223.276 0.424 20 0 BCADLO COC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000641674084 362597562 /nfs/dbraw/zinc/59/75/62/362597562.db2.gz GHTDSCKNCVALRX-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO C[S@](=O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000603372116 349935098 /nfs/dbraw/zinc/93/50/98/349935098.db2.gz QJPFEWAKGNAJHT-HNNXBMFYSA-N 1 2 228.292 0.966 20 0 BCADLO CC[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000092896615 345647439 /nfs/dbraw/zinc/64/74/39/345647439.db2.gz FIKPDYZGNDXTCY-MRVPVSSYSA-N 1 2 222.248 0.214 20 0 BCADLO Cc1cc(N2CCNC(=O)[C@@H]2C(C)C)nc[nH+]1 ZINC000092939880 345648558 /nfs/dbraw/zinc/64/85/58/345648558.db2.gz UVOJFDBQYWPDCE-NSHDSACASA-N 1 2 234.303 0.746 20 0 BCADLO COC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641674085 362597994 /nfs/dbraw/zinc/59/79/94/362597994.db2.gz GHTDSCKNCVALRX-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000093333099 345652405 /nfs/dbraw/zinc/65/24/05/345652405.db2.gz OZYZHJCZAMJENY-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000093333099 345652410 /nfs/dbraw/zinc/65/24/10/345652410.db2.gz OZYZHJCZAMJENY-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093333647 345652901 /nfs/dbraw/zinc/65/29/01/345652901.db2.gz WVDIXAYFBOEBMC-DTWKUNHWSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093333647 345652903 /nfs/dbraw/zinc/65/29/03/345652903.db2.gz WVDIXAYFBOEBMC-DTWKUNHWSA-N 1 2 201.266 0.252 20 0 BCADLO CC[C@H](CO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000622628416 345668648 /nfs/dbraw/zinc/66/86/48/345668648.db2.gz WGKXQXGYGWRAMI-SNVBAGLBSA-N 1 2 239.319 0.582 20 0 BCADLO CC(=O)N1CC(Nc2cc(C)[nH+]cn2)C1 ZINC000220599121 345746454 /nfs/dbraw/zinc/74/64/54/345746454.db2.gz VHLDBZSPZRFZST-UHFFFAOYSA-N 1 2 206.249 0.428 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000563138984 323095116 /nfs/dbraw/zinc/09/51/16/323095116.db2.gz XAGAGOLZNVXFQQ-IUCAKERBSA-N 1 2 241.278 0.380 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COCC1(C)C ZINC000622657451 345774191 /nfs/dbraw/zinc/77/41/91/345774191.db2.gz AUUUTMWYSIJABT-JTQLQIEISA-N 1 2 237.303 0.504 20 0 BCADLO CCOC(=O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000051579858 345861866 /nfs/dbraw/zinc/86/18/66/345861866.db2.gz ANCYRBYIHUXEHJ-UHFFFAOYSA-N 1 2 228.292 0.150 20 0 BCADLO Cc1nnc(CC(=O)Nc2cc[nH+]cc2C)[nH]1 ZINC000668420248 537912659 /nfs/dbraw/zinc/91/26/59/537912659.db2.gz YQJHTDPMYCFQCN-UHFFFAOYSA-N 1 2 231.259 0.420 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@](C)(O)CC)[nH+]1 ZINC000635630094 345904995 /nfs/dbraw/zinc/90/49/95/345904995.db2.gz KYYXEPPLNXLQHB-GFCCVEGCSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635637328 345912513 /nfs/dbraw/zinc/91/25/13/345912513.db2.gz JUARWLULWZIDQC-OCAPTIKFSA-N 1 2 209.249 0.105 20 0 BCADLO CC(C)c1[nH+]ccn1CC(=O)NCc1cn[nH]n1 ZINC000635641514 345914723 /nfs/dbraw/zinc/91/47/23/345914723.db2.gz DXMIZFYVRZYUPH-UHFFFAOYSA-N 1 2 248.290 0.441 20 0 BCADLO CC(C)c1[nH+]ccn1CC(=O)NCc1c[nH]nn1 ZINC000635641514 345914728 /nfs/dbraw/zinc/91/47/28/345914728.db2.gz DXMIZFYVRZYUPH-UHFFFAOYSA-N 1 2 248.290 0.441 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620878121 345921962 /nfs/dbraw/zinc/92/19/62/345921962.db2.gz NDBKKSBWUXPGDM-CIUDSAMLSA-N 1 2 235.287 0.154 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620878121 345921964 /nfs/dbraw/zinc/92/19/64/345921964.db2.gz NDBKKSBWUXPGDM-CIUDSAMLSA-N 1 2 235.287 0.154 20 0 BCADLO Cc1nsc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000381454749 345934132 /nfs/dbraw/zinc/93/41/32/345934132.db2.gz HXUCZJUNAOXBHC-MRVPVSSYSA-N 1 2 242.348 0.401 20 0 BCADLO Cc1nsc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000381454749 345934134 /nfs/dbraw/zinc/93/41/34/345934134.db2.gz HXUCZJUNAOXBHC-MRVPVSSYSA-N 1 2 242.348 0.401 20 0 BCADLO CCC[C@H](O)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635695869 345982983 /nfs/dbraw/zinc/98/29/83/345982983.db2.gz SQUCZXKDWSPBLA-JTQLQIEISA-N 1 2 239.319 0.792 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000585754192 345985510 /nfs/dbraw/zinc/98/55/10/345985510.db2.gz MBPLBPPZXQILGI-QMMMGPOBSA-N 1 2 247.302 0.911 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000585754192 345985512 /nfs/dbraw/zinc/98/55/12/345985512.db2.gz MBPLBPPZXQILGI-QMMMGPOBSA-N 1 2 247.302 0.911 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000585754191 345985528 /nfs/dbraw/zinc/98/55/28/345985528.db2.gz MBPLBPPZXQILGI-MRVPVSSYSA-N 1 2 247.302 0.911 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000585754191 345985530 /nfs/dbraw/zinc/98/55/30/345985530.db2.gz MBPLBPPZXQILGI-MRVPVSSYSA-N 1 2 247.302 0.911 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635700110 345988619 /nfs/dbraw/zinc/98/86/19/345988619.db2.gz XGRJZHIUKRAHIH-UTINFBMNSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635700110 345988621 /nfs/dbraw/zinc/98/86/21/345988621.db2.gz XGRJZHIUKRAHIH-UTINFBMNSA-N 1 2 237.303 0.646 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000183051846 535018917 /nfs/dbraw/zinc/01/89/17/535018917.db2.gz BOWKTPIKECJNGI-UHFFFAOYSA-N 1 2 241.335 0.243 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000183051846 535018921 /nfs/dbraw/zinc/01/89/21/535018921.db2.gz BOWKTPIKECJNGI-UHFFFAOYSA-N 1 2 241.335 0.243 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635754469 346050266 /nfs/dbraw/zinc/05/02/66/346050266.db2.gz VJLVYNWTIRPCJP-FXPVBKGRSA-N 1 2 237.303 0.646 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635754469 346050267 /nfs/dbraw/zinc/05/02/67/346050267.db2.gz VJLVYNWTIRPCJP-FXPVBKGRSA-N 1 2 237.303 0.646 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000635756771 346051237 /nfs/dbraw/zinc/05/12/37/346051237.db2.gz JGHPYJVJHUJETM-SCZZXKLOSA-N 1 2 237.303 0.354 20 0 BCADLO O=C(N[C@H](CO)CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635760533 346053086 /nfs/dbraw/zinc/05/30/86/346053086.db2.gz TUDOIJWDYLQPIO-HBNTYKKESA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@H](CO)CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635760533 346053088 /nfs/dbraw/zinc/05/30/88/346053088.db2.gz TUDOIJWDYLQPIO-HBNTYKKESA-N 1 2 249.314 0.790 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635714492 346025913 /nfs/dbraw/zinc/02/59/13/346025913.db2.gz CARDWRARMAHYJO-HTQZYQBOSA-N 1 2 221.260 0.106 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635714492 346025915 /nfs/dbraw/zinc/02/59/15/346025915.db2.gz CARDWRARMAHYJO-HTQZYQBOSA-N 1 2 221.260 0.106 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000635714614 346026350 /nfs/dbraw/zinc/02/63/50/346026350.db2.gz DOODAYQAEBBMIB-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000635714614 346026351 /nfs/dbraw/zinc/02/63/51/346026351.db2.gz DOODAYQAEBBMIB-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635726185 346037543 /nfs/dbraw/zinc/03/75/43/346037543.db2.gz QUXLZKRAXLGNMZ-SZEHBUNVSA-N 1 2 235.287 0.997 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635726185 346037545 /nfs/dbraw/zinc/03/75/45/346037545.db2.gz QUXLZKRAXLGNMZ-SZEHBUNVSA-N 1 2 235.287 0.997 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@H](C)CO)[nH+]1 ZINC000635731238 346043151 /nfs/dbraw/zinc/04/31/51/346043151.db2.gz RTBMQVKHOGAEIU-MRVPVSSYSA-N 1 2 225.292 0.354 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635734313 346043520 /nfs/dbraw/zinc/04/35/20/346043520.db2.gz GEDQFLZULWJKBS-GARJFASQSA-N 1 2 249.314 0.507 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000617866079 346044751 /nfs/dbraw/zinc/04/47/51/346044751.db2.gz HFYGCGSAJBEJFZ-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000617866079 346044753 /nfs/dbraw/zinc/04/47/53/346044753.db2.gz HFYGCGSAJBEJFZ-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO CCC(=O)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635749408 346047983 /nfs/dbraw/zinc/04/79/83/346047983.db2.gz KTNOEXNPRFHGMQ-UHFFFAOYSA-N 1 2 223.276 0.610 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635819486 346080409 /nfs/dbraw/zinc/08/04/09/346080409.db2.gz DHGININQNSRMNI-BBBLOLIVSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H](O)C1 ZINC000635819487 346080454 /nfs/dbraw/zinc/08/04/54/346080454.db2.gz DHGININQNSRMNI-LPEHRKFASA-N 1 2 235.287 0.085 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635860558 346088052 /nfs/dbraw/zinc/08/80/52/346088052.db2.gz KFPWWZAZSZGTHU-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635860558 346088054 /nfs/dbraw/zinc/08/80/54/346088054.db2.gz KFPWWZAZSZGTHU-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)OC)[nH+]1 ZINC000635847787 346089618 /nfs/dbraw/zinc/08/96/18/346089618.db2.gz CJDHYPJKHHMJMH-MRVPVSSYSA-N 1 2 225.292 0.666 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635791833 346063564 /nfs/dbraw/zinc/06/35/64/346063564.db2.gz YMZSVUUBJNTSTQ-AXTSPUMRSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635791833 346063569 /nfs/dbraw/zinc/06/35/69/346063569.db2.gz YMZSVUUBJNTSTQ-AXTSPUMRSA-N 1 2 237.303 0.789 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@H](CC)CO)[nH+]1 ZINC000635990242 346141188 /nfs/dbraw/zinc/14/11/88/346141188.db2.gz PPOPQTYQKRIFSA-SNVBAGLBSA-N 1 2 239.319 0.744 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635935279 346114235 /nfs/dbraw/zinc/11/42/35/346114235.db2.gz WBVBFEZEOFSEDU-XLPZGREQSA-N 1 2 211.240 0.987 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635935279 346114237 /nfs/dbraw/zinc/11/42/37/346114237.db2.gz WBVBFEZEOFSEDU-XLPZGREQSA-N 1 2 211.240 0.987 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCc2[nH]c[nH+]c2C1 ZINC000635944138 346118418 /nfs/dbraw/zinc/11/84/18/346118418.db2.gz SSFXLFVWLPPMTB-OCAPTIKFSA-N 1 2 221.260 0.065 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000635944138 346118419 /nfs/dbraw/zinc/11/84/19/346118419.db2.gz SSFXLFVWLPPMTB-OCAPTIKFSA-N 1 2 221.260 0.065 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2nc(C)n(C)n2)[nH+]1 ZINC000635954013 346122928 /nfs/dbraw/zinc/12/29/28/346122928.db2.gz BJDXAVAJKXZVDF-UHFFFAOYSA-N 1 2 248.290 0.590 20 0 BCADLO CCc1c[nH]c(CC(=O)N(CC)[C@@H](C)CO)[nH+]1 ZINC000635967346 346126318 /nfs/dbraw/zinc/12/63/18/346126318.db2.gz AICOCBRLJIMWFK-VIFPVBQESA-N 1 2 239.319 0.744 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635982763 346136685 /nfs/dbraw/zinc/13/66/85/346136685.db2.gz GXGKFWKFBZTPBK-DNRKLUKYSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635982763 346136687 /nfs/dbraw/zinc/13/66/87/346136687.db2.gz GXGKFWKFBZTPBK-DNRKLUKYSA-N 1 2 249.314 0.885 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1[nH]cnc1C ZINC000635984283 346138095 /nfs/dbraw/zinc/13/80/95/346138095.db2.gz ROFPVPZHKWHXQJ-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](O)CC)[nH+]1 ZINC000636021877 346160046 /nfs/dbraw/zinc/16/00/46/346160046.db2.gz MPMNGROEVNKWGL-SECBINFHSA-N 1 2 225.292 0.402 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636022778 346160469 /nfs/dbraw/zinc/16/04/69/346160469.db2.gz YNLSDHMWBSMCAT-IWSPIJDZSA-N 1 2 223.276 0.400 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636022778 346160474 /nfs/dbraw/zinc/16/04/74/346160474.db2.gz YNLSDHMWBSMCAT-IWSPIJDZSA-N 1 2 223.276 0.400 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636027089 346161113 /nfs/dbraw/zinc/16/11/13/346161113.db2.gz VXJHZRSLABEVTE-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636027089 346161117 /nfs/dbraw/zinc/16/11/17/346161117.db2.gz VXJHZRSLABEVTE-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](C)C[C@H]2C(N)=O)[nH+]1 ZINC000628241595 346201005 /nfs/dbraw/zinc/20/10/05/346201005.db2.gz BDEMYYYWPCPBMZ-WPRPVWTQSA-N 1 2 236.319 0.804 20 0 BCADLO Cc1c[nH]c(CN2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000628242250 346202499 /nfs/dbraw/zinc/20/24/99/346202499.db2.gz YEJHMBGINRNWLT-SECBINFHSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](C)O[C@H](CO)C2)[nH+]c1C ZINC000628247223 346214695 /nfs/dbraw/zinc/21/46/95/346214695.db2.gz SLXVMJSVOXMNSY-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000299422980 179018495 /nfs/dbraw/zinc/01/84/95/179018495.db2.gz FLZQAVOTFQLKCH-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000299422980 179018497 /nfs/dbraw/zinc/01/84/97/179018497.db2.gz FLZQAVOTFQLKCH-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000531853361 323116545 /nfs/dbraw/zinc/11/65/45/323116545.db2.gz LUQRWQBVLUDJRR-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000531853361 323116546 /nfs/dbraw/zinc/11/65/46/323116546.db2.gz LUQRWQBVLUDJRR-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2cnccn2)c[nH+]1 ZINC000636125631 346326566 /nfs/dbraw/zinc/32/65/66/346326566.db2.gz RKPVHLYVCYUEGY-SSDOTTSWSA-N 1 2 231.259 0.999 20 0 BCADLO CCn1ccnc1C[N@H+](CCO)C1CC1 ZINC000052345179 346317819 /nfs/dbraw/zinc/31/78/19/346317819.db2.gz RIUGWFGSUWBTDB-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO CCn1ccnc1C[N@@H+](CCO)C1CC1 ZINC000052345179 346317820 /nfs/dbraw/zinc/31/78/20/346317820.db2.gz RIUGWFGSUWBTDB-UHFFFAOYSA-N 1 2 209.293 0.860 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC1(F)F ZINC000636102144 346319902 /nfs/dbraw/zinc/31/99/02/346319902.db2.gz MYDHTPIDRBADCB-APPZFPTMSA-N 1 2 241.241 0.969 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000636102948 346320478 /nfs/dbraw/zinc/32/04/78/346320478.db2.gz ZSFBKDGIGHKNQX-MWLCHTKSSA-N 1 2 237.303 0.475 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000401168475 346368151 /nfs/dbraw/zinc/36/81/51/346368151.db2.gz MQIYTOYCZBQPEW-LLVKDONJSA-N 1 2 225.288 0.971 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000401168475 346368153 /nfs/dbraw/zinc/36/81/53/346368153.db2.gz MQIYTOYCZBQPEW-LLVKDONJSA-N 1 2 225.288 0.971 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cscn1 ZINC000401773335 323120651 /nfs/dbraw/zinc/12/06/51/323120651.db2.gz KXUSRHALFIZJOZ-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO COc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]n1 ZINC000636255956 346370858 /nfs/dbraw/zinc/37/08/58/346370858.db2.gz QFGYKWBNDFMDIX-RNFRBKRXSA-N 1 2 247.258 0.884 20 0 BCADLO COc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]n1 ZINC000636255956 346370861 /nfs/dbraw/zinc/37/08/61/346370861.db2.gz QFGYKWBNDFMDIX-RNFRBKRXSA-N 1 2 247.258 0.884 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332975910 537970989 /nfs/dbraw/zinc/97/09/89/537970989.db2.gz GQSSNKQJSZZGEV-KXUCPTDWSA-N 1 2 234.303 0.906 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000381631235 346486991 /nfs/dbraw/zinc/48/69/91/346486991.db2.gz XFZKDLPYZFIETR-HLTSFMKQSA-N 1 2 201.266 0.705 20 0 BCADLO Cc1nnc(CC[NH2+]Cc2ncc[nH]2)[nH]1 ZINC000380022880 365812499 /nfs/dbraw/zinc/81/24/99/365812499.db2.gz XEZFOWKVAZKXCW-UHFFFAOYSA-N 1 2 206.253 0.169 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866674 346466692 /nfs/dbraw/zinc/46/66/92/346466692.db2.gz KFQIFBDFIVCZSX-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866674 346466695 /nfs/dbraw/zinc/46/66/95/346466695.db2.gz KFQIFBDFIVCZSX-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)C1CC1 ZINC000170865901 346467158 /nfs/dbraw/zinc/46/71/58/346467158.db2.gz SOFNZKPQUKFFNJ-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)C1CC1 ZINC000170865901 346467162 /nfs/dbraw/zinc/46/71/62/346467162.db2.gz SOFNZKPQUKFFNJ-UHFFFAOYSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000332914821 346485943 /nfs/dbraw/zinc/48/59/43/346485943.db2.gz UUMBAXWXTJFGPA-NQBHXWOUSA-N 1 2 249.314 0.814 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000332905279 346483752 /nfs/dbraw/zinc/48/37/52/346483752.db2.gz BGDKWZKFLADZKC-PWSUYJOCSA-N 1 2 248.330 0.477 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000332905279 346483755 /nfs/dbraw/zinc/48/37/55/346483755.db2.gz BGDKWZKFLADZKC-PWSUYJOCSA-N 1 2 248.330 0.477 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccnn1C ZINC000380166445 346490351 /nfs/dbraw/zinc/49/03/51/346490351.db2.gz GKRHLFYELLWJSI-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO O=C(NCc1ccco1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636444871 346566165 /nfs/dbraw/zinc/56/61/65/346566165.db2.gz SDDCJJMXKRMBPE-VIFPVBQESA-N 1 2 246.270 0.900 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679227829 488322511 /nfs/dbraw/zinc/32/25/11/488322511.db2.gz TZJUVSDRXHYSNN-DTWKUNHWSA-N 1 2 202.273 0.802 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679227829 488322512 /nfs/dbraw/zinc/32/25/12/488322512.db2.gz TZJUVSDRXHYSNN-DTWKUNHWSA-N 1 2 202.273 0.802 20 0 BCADLO CC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000577114037 365821513 /nfs/dbraw/zinc/82/15/13/365821513.db2.gz BTJRBEFMEPNOLX-DTWKUNHWSA-N 1 2 238.291 0.214 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679227831 488322278 /nfs/dbraw/zinc/32/22/78/488322278.db2.gz TZJUVSDRXHYSNN-RKDXNWHRSA-N 1 2 202.273 0.802 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679227831 488322280 /nfs/dbraw/zinc/32/22/80/488322280.db2.gz TZJUVSDRXHYSNN-RKDXNWHRSA-N 1 2 202.273 0.802 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000618138459 346548893 /nfs/dbraw/zinc/54/88/93/346548893.db2.gz KYAWPFHDEMWIJL-IUCAKERBSA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000618138459 346548897 /nfs/dbraw/zinc/54/88/97/346548897.db2.gz KYAWPFHDEMWIJL-IUCAKERBSA-N 1 2 225.292 0.739 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cncn2C)[C@H](C(N)=O)C1 ZINC000187402716 346573150 /nfs/dbraw/zinc/57/31/50/346573150.db2.gz WXWWDAQEJOLPGV-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cncn2C)[C@H](C(N)=O)C1 ZINC000187402716 346573154 /nfs/dbraw/zinc/57/31/54/346573154.db2.gz WXWWDAQEJOLPGV-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3cccnc3C2)C1 ZINC000577127546 365830021 /nfs/dbraw/zinc/83/00/21/365830021.db2.gz KEJJPHYFPOIBBW-GFCCVEGCSA-N 1 2 247.298 0.254 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2Cc3cccnc3C2)C1 ZINC000577127546 365830026 /nfs/dbraw/zinc/83/00/26/365830026.db2.gz KEJJPHYFPOIBBW-GFCCVEGCSA-N 1 2 247.298 0.254 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H](O)CSC ZINC000187765806 346608346 /nfs/dbraw/zinc/60/83/46/346608346.db2.gz GNBXIZCDYDVEHW-VIFPVBQESA-N 1 2 235.349 0.595 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)CSC ZINC000187765806 346608347 /nfs/dbraw/zinc/60/83/47/346608347.db2.gz GNBXIZCDYDVEHW-VIFPVBQESA-N 1 2 235.349 0.595 20 0 BCADLO C[C@H](CC(=O)N1CCCO1)n1cc[nH+]c1 ZINC000563539748 323130110 /nfs/dbraw/zinc/13/01/10/323130110.db2.gz VVMIGBRIQNBOCX-SECBINFHSA-N 1 2 209.249 0.998 20 0 BCADLO Cc1nc2n(c1C)CC[N@H+](CCn1cncn1)C2 ZINC000589150934 346667960 /nfs/dbraw/zinc/66/79/60/346667960.db2.gz HMUKPNMXQCKOMG-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1nc2n(c1C)CC[N@@H+](CCn1cncn1)C2 ZINC000589150934 346667963 /nfs/dbraw/zinc/66/79/63/346667963.db2.gz HMUKPNMXQCKOMG-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1[nH+]c2n(c1C)CCN(CCn1cncn1)C2 ZINC000589150934 346667965 /nfs/dbraw/zinc/66/79/65/346667965.db2.gz HMUKPNMXQCKOMG-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC000083872181 179139064 /nfs/dbraw/zinc/13/90/64/179139064.db2.gz WZTAKHSLBQRRQC-VIFPVBQESA-N 1 2 221.260 0.317 20 0 BCADLO Cc1c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cnn1C ZINC000334151964 187371014 /nfs/dbraw/zinc/37/10/14/187371014.db2.gz TYPHHKFHOZMNPM-GFCCVEGCSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cnn1C ZINC000334151964 187371016 /nfs/dbraw/zinc/37/10/16/187371016.db2.gz TYPHHKFHOZMNPM-GFCCVEGCSA-N 1 2 248.330 0.535 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)C(C)C ZINC000590114052 346773802 /nfs/dbraw/zinc/77/38/02/346773802.db2.gz DOYURSQBJNOQGA-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)C(C)C ZINC000590114052 346773803 /nfs/dbraw/zinc/77/38/03/346773803.db2.gz DOYURSQBJNOQGA-QWRGUYRKSA-N 1 2 247.335 0.513 20 0 BCADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccon1 ZINC000580657218 365852802 /nfs/dbraw/zinc/85/28/02/365852802.db2.gz LMQXHJLWFCDZOD-NSHDSACASA-N 1 2 221.260 0.529 20 0 BCADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccon1 ZINC000580657218 365852807 /nfs/dbraw/zinc/85/28/07/365852807.db2.gz LMQXHJLWFCDZOD-NSHDSACASA-N 1 2 221.260 0.529 20 0 BCADLO NC(=O)[C@@H](NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000589832482 346741746 /nfs/dbraw/zinc/74/17/46/346741746.db2.gz HBCUJCCSQXYYGY-NSHDSACASA-N 1 2 230.271 0.726 20 0 BCADLO OCCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589843674 346743759 /nfs/dbraw/zinc/74/37/59/346743759.db2.gz WXCWEYSWZSGMFJ-UHFFFAOYSA-N 1 2 235.287 0.661 20 0 BCADLO COC[C@@]1(C)CN(Cc2c[nH+]cn2C)CCO1 ZINC000626174287 346753682 /nfs/dbraw/zinc/75/36/82/346753682.db2.gz OHQMBBRNDACGJE-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@]1(C)CN(Cc2c[nH+]cn2C)CCO1 ZINC000626174288 346753898 /nfs/dbraw/zinc/75/38/98/346753898.db2.gz OHQMBBRNDACGJE-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO Cn1ncnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842838 347110619 /nfs/dbraw/zinc/11/06/19/347110619.db2.gz GRDHYSDKTUGCFW-MRVPVSSYSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842838 347110621 /nfs/dbraw/zinc/11/06/21/347110621.db2.gz GRDHYSDKTUGCFW-MRVPVSSYSA-N 1 2 210.281 0.018 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387864130 347113343 /nfs/dbraw/zinc/11/33/43/347113343.db2.gz MDSISLRELUGNFH-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387864130 347113348 /nfs/dbraw/zinc/11/33/48/347113348.db2.gz MDSISLRELUGNFH-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000618399933 347156057 /nfs/dbraw/zinc/15/60/57/347156057.db2.gz UFWQJGNBKKZEPP-MWLCHTKSSA-N 1 2 237.303 0.333 20 0 BCADLO CCc1nnc(C[NH+](CCOC)CCOC)[nH]1 ZINC000185155017 347192588 /nfs/dbraw/zinc/19/25/88/347192588.db2.gz YCLUFPZMDFAALJ-UHFFFAOYSA-N 1 2 242.323 0.462 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000388122066 347197119 /nfs/dbraw/zinc/19/71/19/347197119.db2.gz ZPIFNNLYFHFZPJ-SECBINFHSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000388122066 347197121 /nfs/dbraw/zinc/19/71/21/347197121.db2.gz ZPIFNNLYFHFZPJ-SECBINFHSA-N 1 2 224.308 0.326 20 0 BCADLO O=C1N=NC(SCCn2cc[nH+]c2)N1 ZINC000187629780 347261412 /nfs/dbraw/zinc/26/14/12/347261412.db2.gz YSXDWZRHEVAVOD-UHFFFAOYSA-N 1 2 211.250 0.499 20 0 BCADLO COC[C@](C)(O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000419212351 192105409 /nfs/dbraw/zinc/10/54/09/192105409.db2.gz ZTOZTXXOVLHPFU-CMPLNLGQSA-N 1 2 245.319 0.315 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2nccn2C)C1 ZINC000571346098 323142235 /nfs/dbraw/zinc/14/22/35/323142235.db2.gz ZSPPJIGNIPPXSQ-QMMMGPOBSA-N 1 2 222.292 0.301 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@@H](CF)C1 ZINC000581248792 347347136 /nfs/dbraw/zinc/34/71/36/347347136.db2.gz OUXZZIJENNRMIY-JTQLQIEISA-N 1 2 247.314 0.364 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@@H](CF)C1 ZINC000581248792 347347140 /nfs/dbraw/zinc/34/71/40/347347140.db2.gz OUXZZIJENNRMIY-JTQLQIEISA-N 1 2 247.314 0.364 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 ZINC000152294321 362818111 /nfs/dbraw/zinc/81/81/11/362818111.db2.gz GETJYJLPJZTSSW-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 ZINC000152294321 362818116 /nfs/dbraw/zinc/81/81/16/362818116.db2.gz GETJYJLPJZTSSW-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CN1CCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000190102965 347320924 /nfs/dbraw/zinc/32/09/24/347320924.db2.gz HKWKXORBMKVBIR-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CC(C)CN1CCN(Cc2c[nH]c[nH+]2)CC1=O ZINC000190102965 347320927 /nfs/dbraw/zinc/32/09/27/347320927.db2.gz HKWKXORBMKVBIR-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCC(=O)C1 ZINC000580332044 347373486 /nfs/dbraw/zinc/37/34/86/347373486.db2.gz BJZPVHRYCOADBF-SNVBAGLBSA-N 1 2 247.298 0.979 20 0 BCADLO Cc1cccc2[nH+]c(C[S@@](=O)CCO)cn21 ZINC000182100411 179230245 /nfs/dbraw/zinc/23/02/45/179230245.db2.gz GDUQCCJPLGNVEF-INIZCTEOSA-N 1 2 238.312 0.884 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)CC(N)=O)cn21 ZINC000265810648 179230355 /nfs/dbraw/zinc/23/03/55/179230355.db2.gz MCFPJJVPNYAFSY-UHFFFAOYSA-N 1 2 246.270 0.134 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC(C)(O)C1 ZINC000616922298 347452226 /nfs/dbraw/zinc/45/22/26/347452226.db2.gz XAZJXNHPGNNLAW-UHFFFAOYSA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC(C)(O)C1 ZINC000616922298 347452230 /nfs/dbraw/zinc/45/22/30/347452230.db2.gz XAZJXNHPGNNLAW-UHFFFAOYSA-N 1 2 223.276 0.529 20 0 BCADLO CC[C@](C)(CO)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922307 347452440 /nfs/dbraw/zinc/45/24/40/347452440.db2.gz XFVWCKFHHIKHNU-LLVKDONJSA-N 1 2 225.292 0.777 20 0 BCADLO CC[C@](C)(CO)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922307 347452441 /nfs/dbraw/zinc/45/24/41/347452441.db2.gz XFVWCKFHHIKHNU-LLVKDONJSA-N 1 2 225.292 0.777 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](O)C1CCC1 ZINC000616922161 347452681 /nfs/dbraw/zinc/45/26/81/347452681.db2.gz RDUYQEDZNKEFRO-JTQLQIEISA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](O)C1CCC1 ZINC000616922161 347452682 /nfs/dbraw/zinc/45/26/82/347452682.db2.gz RDUYQEDZNKEFRO-JTQLQIEISA-N 1 2 223.276 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1n[nH]c2c1CCC2 ZINC000616923893 347454537 /nfs/dbraw/zinc/45/45/37/347454537.db2.gz ZEQVBWLZOCPFCM-UHFFFAOYSA-N 1 2 245.286 0.894 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1n[nH]c2c1CCC2 ZINC000616923893 347454543 /nfs/dbraw/zinc/45/45/43/347454543.db2.gz ZEQVBWLZOCPFCM-UHFFFAOYSA-N 1 2 245.286 0.894 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)COCC1CC1 ZINC000616923617 347454947 /nfs/dbraw/zinc/45/49/47/347454947.db2.gz NYZMDKPRNDXEIP-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)COCC1CC1 ZINC000616923617 347454949 /nfs/dbraw/zinc/45/49/49/347454949.db2.gz NYZMDKPRNDXEIP-UHFFFAOYSA-N 1 2 223.276 0.795 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923865 347455052 /nfs/dbraw/zinc/45/50/52/347455052.db2.gz YTGPJNFPAZHSTD-MRVPVSSYSA-N 1 2 238.291 0.283 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923865 347455054 /nfs/dbraw/zinc/45/50/54/347455054.db2.gz YTGPJNFPAZHSTD-MRVPVSSYSA-N 1 2 238.291 0.283 20 0 BCADLO CCOCCOCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924300 347455206 /nfs/dbraw/zinc/45/52/06/347455206.db2.gz DGTLBSBCBANDNO-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOCCOCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924300 347455208 /nfs/dbraw/zinc/45/52/08/347455208.db2.gz DGTLBSBCBANDNO-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COc1cncc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616927656 347457247 /nfs/dbraw/zinc/45/72/47/347457247.db2.gz NJWHWNKUSUAAQO-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO COc1cncc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616927656 347457250 /nfs/dbraw/zinc/45/72/50/347457250.db2.gz NJWHWNKUSUAAQO-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)C[C@@H]1COCCO1 ZINC000590723017 347493361 /nfs/dbraw/zinc/49/33/61/347493361.db2.gz LPLUGBOQSRBZHT-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1COCCO1 ZINC000590723017 347493364 /nfs/dbraw/zinc/49/33/64/347493364.db2.gz LPLUGBOQSRBZHT-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)C[C@H]1COCCO1 ZINC000590723021 347493593 /nfs/dbraw/zinc/49/35/93/347493593.db2.gz LPLUGBOQSRBZHT-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)C[C@H]1COCCO1 ZINC000590723021 347493598 /nfs/dbraw/zinc/49/35/98/347493598.db2.gz LPLUGBOQSRBZHT-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC[C@@H](C)O ZINC000590707803 347498056 /nfs/dbraw/zinc/49/80/56/347498056.db2.gz UYXIFDGIIYVBPX-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC[C@@H](C)O ZINC000590707803 347498057 /nfs/dbraw/zinc/49/80/57/347498057.db2.gz UYXIFDGIIYVBPX-MNOVXSKESA-N 1 2 247.335 0.657 20 0 BCADLO COC(=O)C1([NH2+]CCc2cn[nH]n2)CCCC1 ZINC000590606118 347477211 /nfs/dbraw/zinc/47/72/11/347477211.db2.gz YHBXVEWZCLVOSA-UHFFFAOYSA-N 1 2 238.291 0.423 20 0 BCADLO CCOC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000590598872 347479888 /nfs/dbraw/zinc/47/98/88/347479888.db2.gz COLXYSHWWQPQFM-MRVPVSSYSA-N 1 2 223.276 0.719 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1ncc[nH]1 ZINC000590601102 347480397 /nfs/dbraw/zinc/48/03/97/347480397.db2.gz PPPMQZLTDNUTBT-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000590601102 347480401 /nfs/dbraw/zinc/48/04/01/347480401.db2.gz PPPMQZLTDNUTBT-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ncc[nH]1 ZINC000590601114 347480486 /nfs/dbraw/zinc/48/04/86/347480486.db2.gz PPPMQZLTDNUTBT-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000590601114 347480487 /nfs/dbraw/zinc/48/04/87/347480487.db2.gz PPPMQZLTDNUTBT-NSHDSACASA-N 1 2 241.291 0.156 20 0 BCADLO Cn1ccnc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616291823 347526968 /nfs/dbraw/zinc/52/69/68/347526968.db2.gz HYNUTOSYUVLJES-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO CCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735128 347501615 /nfs/dbraw/zinc/50/16/15/347501615.db2.gz YZEZJRKFORMEOV-GUBZILKMSA-N 1 2 233.283 0.733 20 0 BCADLO CCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735128 347501616 /nfs/dbraw/zinc/50/16/16/347501616.db2.gz YZEZJRKFORMEOV-GUBZILKMSA-N 1 2 233.283 0.733 20 0 BCADLO COCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](C)O ZINC000590952897 347593949 /nfs/dbraw/zinc/59/39/49/347593949.db2.gz VIBVMVQWSBCUDN-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO COCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)O ZINC000590952897 347593951 /nfs/dbraw/zinc/59/39/51/347593951.db2.gz VIBVMVQWSBCUDN-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO COCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)O ZINC000590952896 347594235 /nfs/dbraw/zinc/59/42/35/347594235.db2.gz VIBVMVQWSBCUDN-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO COCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)O ZINC000590952896 347594238 /nfs/dbraw/zinc/59/42/38/347594238.db2.gz VIBVMVQWSBCUDN-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)NC(C)(C)C)cn1 ZINC000198399834 347635982 /nfs/dbraw/zinc/63/59/82/347635982.db2.gz GIRHTVAXRBQKHN-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cn1 ZINC000198399834 347635986 /nfs/dbraw/zinc/63/59/86/347635986.db2.gz GIRHTVAXRBQKHN-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@@H](C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC)OC ZINC000591375436 347650170 /nfs/dbraw/zinc/65/01/70/347650170.db2.gz VHZIHKDJISTDBU-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@@H](C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC)OC ZINC000591375436 347650174 /nfs/dbraw/zinc/65/01/74/347650174.db2.gz VHZIHKDJISTDBU-GUBZILKMSA-N 1 2 233.283 0.997 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](CC)OC ZINC000591376523 347650735 /nfs/dbraw/zinc/65/07/35/347650735.db2.gz GVMWOENXKRDINJ-MNOVXSKESA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](CC)OC ZINC000591376523 347650737 /nfs/dbraw/zinc/65/07/37/347650737.db2.gz GVMWOENXKRDINJ-MNOVXSKESA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC[C@@H](C)O ZINC000591019841 347610519 /nfs/dbraw/zinc/61/05/19/347610519.db2.gz HSGMHKQXZTXHSZ-ZJUUUORDSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC[C@@H](C)O ZINC000591019841 347610522 /nfs/dbraw/zinc/61/05/22/347610522.db2.gz HSGMHKQXZTXHSZ-ZJUUUORDSA-N 1 2 233.308 0.267 20 0 BCADLO O=S1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000592070529 347727279 /nfs/dbraw/zinc/72/72/79/347727279.db2.gz LMSAITWNMVZDLR-LLVKDONJSA-N 1 2 231.361 0.867 20 0 BCADLO CCO/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000493357366 347746011 /nfs/dbraw/zinc/74/60/11/347746011.db2.gz UOIDVUWLKUGMIL-FPYGCLRLSA-N 1 2 209.249 0.550 20 0 BCADLO CC[N@H+](CCSC)[C@H](C)c1nnnn1C ZINC000592204640 347756870 /nfs/dbraw/zinc/75/68/70/347756870.db2.gz UXVDAOGHRHEJPR-MRVPVSSYSA-N 1 2 229.353 0.956 20 0 BCADLO CC[N@@H+](CCSC)[C@H](C)c1nnnn1C ZINC000592204640 347756873 /nfs/dbraw/zinc/75/68/73/347756873.db2.gz UXVDAOGHRHEJPR-MRVPVSSYSA-N 1 2 229.353 0.956 20 0 BCADLO COc1ccc[nH+]c1N1CCN(C(C)=O)CC1 ZINC000592662476 347805556 /nfs/dbraw/zinc/80/55/56/347805556.db2.gz DBPGDJGQFSTMNX-UHFFFAOYSA-N 1 2 235.287 0.759 20 0 BCADLO COC(=O)C12CC(C(=O)NCc3[nH]cc[nH+]3)(C1)C2 ZINC000592762170 347815522 /nfs/dbraw/zinc/81/55/22/347815522.db2.gz HLQYCBFDCYXUEP-UHFFFAOYSA-N 1 2 249.270 0.369 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593015582 347844753 /nfs/dbraw/zinc/84/47/53/347844753.db2.gz VJQGJIQUDBBGII-UWVGGRQHSA-N 1 2 242.319 0.537 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000593015582 347844754 /nfs/dbraw/zinc/84/47/54/347844754.db2.gz VJQGJIQUDBBGII-UWVGGRQHSA-N 1 2 242.319 0.537 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000593086750 347847820 /nfs/dbraw/zinc/84/78/20/347847820.db2.gz CETYKGUZNOKDAA-IUCAKERBSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000593086421 347851922 /nfs/dbraw/zinc/85/19/22/347851922.db2.gz MPNRFYYQBKFBPF-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000593086421 347851925 /nfs/dbraw/zinc/85/19/25/347851925.db2.gz MPNRFYYQBKFBPF-WPRPVWTQSA-N 1 2 239.275 0.172 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC000593096308 347854247 /nfs/dbraw/zinc/85/42/47/347854247.db2.gz FSFPROHTLSARDG-PGUXBMHVSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC000593096308 347854248 /nfs/dbraw/zinc/85/42/48/347854248.db2.gz FSFPROHTLSARDG-PGUXBMHVSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC000593096206 347854285 /nfs/dbraw/zinc/85/42/85/347854285.db2.gz DQJOAGKJYPKXPW-PGUXBMHVSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC000593096206 347854286 /nfs/dbraw/zinc/85/42/86/347854286.db2.gz DQJOAGKJYPKXPW-PGUXBMHVSA-N 1 2 222.313 0.787 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C(F)(F)F ZINC000593100880 347857482 /nfs/dbraw/zinc/85/74/82/347857482.db2.gz PTGMWVBMGINCAL-ADTUGLLHSA-N 1 2 243.250 0.115 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C(F)(F)F ZINC000593100880 347857484 /nfs/dbraw/zinc/85/74/84/347857484.db2.gz PTGMWVBMGINCAL-ADTUGLLHSA-N 1 2 243.250 0.115 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593102358 347858607 /nfs/dbraw/zinc/85/86/07/347858607.db2.gz WISOVKSLCVBONL-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593102358 347858610 /nfs/dbraw/zinc/85/86/10/347858610.db2.gz WISOVKSLCVBONL-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccno1 ZINC000593103487 347858628 /nfs/dbraw/zinc/85/86/28/347858628.db2.gz ZIBREZDJZKTBRO-DKYNEUFISA-N 1 2 212.274 0.380 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccno1 ZINC000593103487 347858630 /nfs/dbraw/zinc/85/86/30/347858630.db2.gz ZIBREZDJZKTBRO-DKYNEUFISA-N 1 2 212.274 0.380 20 0 BCADLO CCC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OCC ZINC000593183194 347869146 /nfs/dbraw/zinc/86/91/46/347869146.db2.gz QDCHDMUNIXKKPP-AEJSXWLSSA-N 1 2 242.319 0.572 20 0 BCADLO Cc1nc(N2C[C@@H]3C[C@H]2C[S@@]3=O)cc[nH+]1 ZINC000593511192 347902273 /nfs/dbraw/zinc/90/22/73/347902273.db2.gz VKCTZOUMUYPMCK-UTEYVOQOSA-N 1 2 223.301 0.495 20 0 BCADLO CC[C@@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000308626265 347928230 /nfs/dbraw/zinc/92/82/30/347928230.db2.gz WNTCOTNJWNECFY-PSASIEDQSA-N 1 2 203.282 0.689 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593692787 347929242 /nfs/dbraw/zinc/92/92/42/347929242.db2.gz DZNZVFWMJGHDOV-AMJWSMQMSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593692787 347929243 /nfs/dbraw/zinc/92/92/43/347929243.db2.gz DZNZVFWMJGHDOV-AMJWSMQMSA-N 1 2 226.301 0.688 20 0 BCADLO CSC1(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000593680241 347932274 /nfs/dbraw/zinc/93/22/74/347932274.db2.gz VSMNPYGOTRUPBO-LLVKDONJSA-N 1 2 242.388 0.633 20 0 BCADLO CSC1(CN2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000593680241 347932276 /nfs/dbraw/zinc/93/22/76/347932276.db2.gz VSMNPYGOTRUPBO-LLVKDONJSA-N 1 2 242.388 0.633 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)C)C[C@H]21 ZINC000152290032 323171788 /nfs/dbraw/zinc/17/17/88/323171788.db2.gz WVYKBXFYABAWKB-ZJUUUORDSA-N 1 2 226.320 0.574 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)C)C[C@H]21 ZINC000152290032 323171789 /nfs/dbraw/zinc/17/17/89/323171789.db2.gz WVYKBXFYABAWKB-ZJUUUORDSA-N 1 2 226.320 0.574 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202089 187384275 /nfs/dbraw/zinc/38/42/75/187384275.db2.gz MJLPKGLSDWEGOK-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO Cc1nc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC000531293551 348010506 /nfs/dbraw/zinc/01/05/06/348010506.db2.gz GAXQBQPPIBCYSD-YUMQZZPRSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[nH]1 ZINC000531293551 348010510 /nfs/dbraw/zinc/01/05/10/348010510.db2.gz GAXQBQPPIBCYSD-YUMQZZPRSA-N 1 2 237.307 0.924 20 0 BCADLO CC(C)n1ccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000202394670 348017569 /nfs/dbraw/zinc/01/75/69/348017569.db2.gz LFAPJFOKGOYZCO-UHFFFAOYSA-N 1 2 236.319 0.852 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](C)C[S@](C)=O ZINC000594570773 348074596 /nfs/dbraw/zinc/07/45/96/348074596.db2.gz WXCBJFJOJFLMDL-GYKQLYQFSA-N 1 2 243.332 0.973 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(=O)OC)C1CCOCC1 ZINC000594713017 348104949 /nfs/dbraw/zinc/10/49/49/348104949.db2.gz XVEHSJAMZQNUCC-MWLCHTKSSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(C(C)(C)C)nn1 ZINC000594654307 348091905 /nfs/dbraw/zinc/09/19/05/348091905.db2.gz VRRAYMPAKMZMLJ-QMMMGPOBSA-N 1 2 226.280 0.076 20 0 BCADLO CCc1nocc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616208115 348140230 /nfs/dbraw/zinc/14/02/30/348140230.db2.gz UETBBWLWANYVPC-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO COC(=O)C(C)(C)NCc1[nH]cc(C)[nH+]1 ZINC000594922797 348156429 /nfs/dbraw/zinc/15/64/29/348156429.db2.gz HDUHNZMUWPAHIN-UHFFFAOYSA-N 1 2 211.265 0.759 20 0 BCADLO C[C@H](CSCCF)[NH2+]Cc1ncn(C)n1 ZINC000595027742 348173476 /nfs/dbraw/zinc/17/34/76/348173476.db2.gz SDRMHNQSHCKSGD-MRVPVSSYSA-N 1 2 232.328 0.996 20 0 BCADLO Cc1nc(N2CC(n3ccnn3)C2)cc[nH+]1 ZINC000378544066 187390289 /nfs/dbraw/zinc/39/02/89/187390289.db2.gz YFKATGYINNVRFN-UHFFFAOYSA-N 1 2 216.248 0.438 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595299436 348218193 /nfs/dbraw/zinc/21/81/93/348218193.db2.gz ZJEXSSFWBBMJDE-GHMZBOCLSA-N 1 2 245.319 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595299436 348218195 /nfs/dbraw/zinc/21/81/95/348218195.db2.gz ZJEXSSFWBBMJDE-GHMZBOCLSA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000595305680 348222194 /nfs/dbraw/zinc/22/21/94/348222194.db2.gz IWSGDTHSZCBWIU-UWVGGRQHSA-N 1 2 245.319 0.579 20 0 BCADLO O=c1[nH]nc(CN2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000377753596 187388753 /nfs/dbraw/zinc/38/87/53/187388753.db2.gz IMCDPSVQHOAEEQ-MRVPVSSYSA-N 1 2 240.332 0.524 20 0 BCADLO O=c1[nH]nc(CN2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000377753596 187388755 /nfs/dbraw/zinc/38/87/55/187388755.db2.gz IMCDPSVQHOAEEQ-MRVPVSSYSA-N 1 2 240.332 0.524 20 0 BCADLO COC[C@H](C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C)OC ZINC000595323558 348226547 /nfs/dbraw/zinc/22/65/47/348226547.db2.gz ZHJZOJWKOSIBPO-INLINHOESA-N 1 2 249.376 0.489 20 0 BCADLO COC[C@H](C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C)OC ZINC000595323558 348226548 /nfs/dbraw/zinc/22/65/48/348226548.db2.gz ZHJZOJWKOSIBPO-INLINHOESA-N 1 2 249.376 0.489 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000577453673 365956655 /nfs/dbraw/zinc/95/66/55/365956655.db2.gz VDYOJLRGMOBXCV-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000577453673 365956660 /nfs/dbraw/zinc/95/66/60/365956660.db2.gz VDYOJLRGMOBXCV-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000577453673 365956662 /nfs/dbraw/zinc/95/66/62/365956662.db2.gz VDYOJLRGMOBXCV-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000577453673 365956666 /nfs/dbraw/zinc/95/66/66/365956666.db2.gz VDYOJLRGMOBXCV-LLVKDONJSA-N 1 2 249.318 0.399 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCn3cncc3C2)CC1 ZINC000595490940 348262205 /nfs/dbraw/zinc/26/22/05/348262205.db2.gz OFCQNJSTOIBZLF-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)C1(C[N@H+]2CCn3cncc3C2)CC1 ZINC000595490940 348262209 /nfs/dbraw/zinc/26/22/09/348262209.db2.gz OFCQNJSTOIBZLF-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)C1(CN2CCn3c[nH+]cc3C2)CC1 ZINC000595490940 348262214 /nfs/dbraw/zinc/26/22/14/348262214.db2.gz OFCQNJSTOIBZLF-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CCc1c[nH]nn1 ZINC000595445948 348251352 /nfs/dbraw/zinc/25/13/52/348251352.db2.gz JFLXHEYVXADUNL-NSHDSACASA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CCc1c[nH]nn1 ZINC000595445948 348251354 /nfs/dbraw/zinc/25/13/54/348251354.db2.gz JFLXHEYVXADUNL-NSHDSACASA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CCc1cn[nH]n1 ZINC000595445948 348251357 /nfs/dbraw/zinc/25/13/57/348251357.db2.gz JFLXHEYVXADUNL-NSHDSACASA-N 1 2 238.291 0.375 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CCc1cn[nH]n1 ZINC000595445948 348251361 /nfs/dbraw/zinc/25/13/61/348251361.db2.gz JFLXHEYVXADUNL-NSHDSACASA-N 1 2 238.291 0.375 20 0 BCADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000093169129 179375037 /nfs/dbraw/zinc/37/50/37/179375037.db2.gz QZDFFURKONZIDC-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cccnc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000093169129 179375038 /nfs/dbraw/zinc/37/50/38/179375038.db2.gz QZDFFURKONZIDC-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1[C@H](C)C[C@@H]1C ZINC000595468044 348258445 /nfs/dbraw/zinc/25/84/45/348258445.db2.gz IJPFVAOUYIYZFD-KXUCPTDWSA-N 1 2 243.303 0.964 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000595468044 348258447 /nfs/dbraw/zinc/25/84/47/348258447.db2.gz IJPFVAOUYIYZFD-KXUCPTDWSA-N 1 2 243.303 0.964 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000093189731 179377079 /nfs/dbraw/zinc/37/70/79/179377079.db2.gz WBXGMLMNYCMKKI-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000093189731 179377082 /nfs/dbraw/zinc/37/70/82/179377082.db2.gz WBXGMLMNYCMKKI-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO CS[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000595511150 348265758 /nfs/dbraw/zinc/26/57/58/348265758.db2.gz QHJRIVUDTWTUAA-SECBINFHSA-N 1 2 212.322 0.785 20 0 BCADLO CS[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000595511150 348265760 /nfs/dbraw/zinc/26/57/60/348265760.db2.gz QHJRIVUDTWTUAA-SECBINFHSA-N 1 2 212.322 0.785 20 0 BCADLO CCOC(=O)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546883 348267884 /nfs/dbraw/zinc/26/78/84/348267884.db2.gz KILKUOCGHKDMNP-UHFFFAOYSA-N 1 2 243.263 0.550 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546883 348267887 /nfs/dbraw/zinc/26/78/87/348267887.db2.gz KILKUOCGHKDMNP-UHFFFAOYSA-N 1 2 243.263 0.550 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCOC(C)C ZINC000595528138 348272131 /nfs/dbraw/zinc/27/21/31/348272131.db2.gz VKJNDSMGRXBTQQ-LLVKDONJSA-N 1 2 233.308 0.315 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCCOC(C)(C)C ZINC000595528088 348272238 /nfs/dbraw/zinc/27/22/38/348272238.db2.gz USJKJMMRXHODAV-LBPRGKRZSA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@@](COC)([NH2+]CC1(C)COC1)C(=O)OC ZINC000595530888 348273307 /nfs/dbraw/zinc/27/33/07/348273307.db2.gz VORPOYQSKWHZOH-LBPRGKRZSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H]1CCCO1 ZINC000595531134 348273414 /nfs/dbraw/zinc/27/34/14/348273414.db2.gz CRWNGBGFMKDIDO-GXSJLCMTSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCc1cccnc1 ZINC000595531393 348273719 /nfs/dbraw/zinc/27/37/19/348273719.db2.gz FOSKHFUKOGOJBZ-LBPRGKRZSA-N 1 2 238.287 0.138 20 0 BCADLO CC/C=C/CC[NH2+][C@](C)(CO)C(=O)OC ZINC000595532495 348274530 /nfs/dbraw/zinc/27/45/30/348274530.db2.gz SDYGJLRPQKDGBC-MVIFTORASA-N 1 2 215.293 0.856 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595532813 348274879 /nfs/dbraw/zinc/27/48/79/348274879.db2.gz COWJCDZVDPSYII-XZUYRWCXSA-N 1 2 241.331 0.936 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CC=CC1 ZINC000595534904 348276315 /nfs/dbraw/zinc/27/63/15/348276315.db2.gz XYFNRYWPDBGPPE-NSHDSACASA-N 1 2 213.277 0.466 20 0 BCADLO CCOC(=O)COCC[N@H+](C)Cc1cnc[nH]1 ZINC000595591833 348277630 /nfs/dbraw/zinc/27/76/30/348277630.db2.gz LOBLDUFUWZMFJB-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)Cc1cnc[nH]1 ZINC000595591833 348277631 /nfs/dbraw/zinc/27/76/31/348277631.db2.gz LOBLDUFUWZMFJB-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)COCC[N@H+](C)Cc1c[nH]cn1 ZINC000595591833 348277632 /nfs/dbraw/zinc/27/76/32/348277632.db2.gz LOBLDUFUWZMFJB-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)Cc1c[nH]cn1 ZINC000595591833 348277633 /nfs/dbraw/zinc/27/76/33/348277633.db2.gz LOBLDUFUWZMFJB-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000595562960 348281815 /nfs/dbraw/zinc/28/18/15/348281815.db2.gz KMIKIYCDZDALKM-XQJJYNOISA-N 1 2 240.328 0.942 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000595562960 348281817 /nfs/dbraw/zinc/28/18/17/348281817.db2.gz KMIKIYCDZDALKM-XQJJYNOISA-N 1 2 240.328 0.942 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)OC)C1CCOCC1 ZINC000595615534 348289202 /nfs/dbraw/zinc/28/92/02/348289202.db2.gz ISFOZIQLZXZUSQ-SNVBAGLBSA-N 1 2 231.292 0.191 20 0 BCADLO COC(=O)C12CC(C1)CN2Cc1cn(C)c[nH+]1 ZINC000595680692 348312245 /nfs/dbraw/zinc/31/22/45/348312245.db2.gz QRPWVDOJMPLWKR-UHFFFAOYSA-N 1 2 235.287 0.558 20 0 BCADLO CC(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082680055 348325806 /nfs/dbraw/zinc/32/58/06/348325806.db2.gz YPCBZFVIAZGWMK-MRVPVSSYSA-N 1 2 240.225 0.074 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CCCCO ZINC000595769096 348335520 /nfs/dbraw/zinc/33/55/20/348335520.db2.gz IVJNKMJRBVANPG-JTQLQIEISA-N 1 2 221.272 0.640 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](C)CO ZINC000595773854 348337451 /nfs/dbraw/zinc/33/74/51/348337451.db2.gz FFNSYWRANYNQNV-SCZZXKLOSA-N 1 2 221.272 0.496 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](C)OC ZINC000595774815 348337955 /nfs/dbraw/zinc/33/79/55/348337955.db2.gz JQNBDYZZNFMMSO-PSASIEDQSA-N 1 2 221.272 0.902 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595782615 348344841 /nfs/dbraw/zinc/34/48/41/348344841.db2.gz PJCMQSXPTCCVBB-YIZRAAEISA-N 1 2 213.277 0.441 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595781582 348344980 /nfs/dbraw/zinc/34/49/80/348344980.db2.gz MQDKAUZHTDJVAV-IUCAKERBSA-N 1 2 213.277 0.443 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595781584 348345213 /nfs/dbraw/zinc/34/52/13/348345213.db2.gz MQDKAUZHTDJVAV-RKDXNWHRSA-N 1 2 213.277 0.443 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000595785698 348345904 /nfs/dbraw/zinc/34/59/04/348345904.db2.gz YFOGHECMPVRTPZ-HBNTYKKESA-N 1 2 239.315 0.831 20 0 BCADLO CCOC[C@@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000309095875 349984909 /nfs/dbraw/zinc/98/49/09/349984909.db2.gz GRJBLWWTXMVGIR-JTQLQIEISA-N 1 2 213.281 0.205 20 0 BCADLO COC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000595862113 348382959 /nfs/dbraw/zinc/38/29/59/348382959.db2.gz CXXUKOIVTJAVGB-UHFFFAOYSA-N 1 2 221.260 0.398 20 0 BCADLO COC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000595862113 348382962 /nfs/dbraw/zinc/38/29/62/348382962.db2.gz CXXUKOIVTJAVGB-UHFFFAOYSA-N 1 2 221.260 0.398 20 0 BCADLO CCCN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419332018 192123681 /nfs/dbraw/zinc/12/36/81/192123681.db2.gz SIAYXKFRBHCIOB-GHMZBOCLSA-N 1 2 200.326 0.783 20 0 BCADLO CCCN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419332021 192123842 /nfs/dbraw/zinc/12/38/42/192123842.db2.gz SIAYXKFRBHCIOB-WDEREUQCSA-N 1 2 200.326 0.783 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595902357 348394628 /nfs/dbraw/zinc/39/46/28/348394628.db2.gz TVVCIOAXOXSQPX-HRDYMLBCSA-N 1 2 229.276 0.479 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CC[C@H](O)C2)c1 ZINC000596106477 348441184 /nfs/dbraw/zinc/44/11/84/348441184.db2.gz DZAOHRVQWHBSHY-JTQLQIEISA-N 1 2 236.271 0.368 20 0 BCADLO COC(=O)c1nccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000596131896 348446784 /nfs/dbraw/zinc/44/67/84/348446784.db2.gz FXKYWDWXBYDVQI-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N(C)[C@@H](C)CO)c1 ZINC000596173312 348461418 /nfs/dbraw/zinc/46/14/18/348461418.db2.gz SLCRCLSZRSEKQZ-VIFPVBQESA-N 1 2 238.287 0.614 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C[C@H](O)C2)c1 ZINC000596555203 348578024 /nfs/dbraw/zinc/57/80/24/348578024.db2.gz IYVGORBVPNNTTD-MGCOHNPYSA-N 1 2 236.271 0.732 20 0 BCADLO CCOC(=O)c1cc(-c2c[nH+]cn2C)[nH]n1 ZINC000596646105 348604388 /nfs/dbraw/zinc/60/43/88/348604388.db2.gz NEJRPWYGCYSVKD-UHFFFAOYSA-N 1 2 220.232 0.987 20 0 BCADLO Cc1c[nH+]c([C@@H]2NC(=O)[C@H]3C[C@H](C)CCN32)n1C ZINC000341382006 179649896 /nfs/dbraw/zinc/64/98/96/179649896.db2.gz CXWWDIGSBFLJHO-HLUHBDAQSA-N 1 2 248.330 0.957 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000528732130 323196703 /nfs/dbraw/zinc/19/67/03/323196703.db2.gz NZOMBKOOMFVMNX-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000528732130 323196704 /nfs/dbraw/zinc/19/67/04/323196704.db2.gz NZOMBKOOMFVMNX-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822694 348760108 /nfs/dbraw/zinc/76/01/08/348760108.db2.gz CNUONGOAIZQRGK-UWVGGRQHSA-N 1 2 212.293 0.630 20 0 BCADLO C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822694 348760110 /nfs/dbraw/zinc/76/01/10/348760110.db2.gz CNUONGOAIZQRGK-UWVGGRQHSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000308822694 348760111 /nfs/dbraw/zinc/76/01/11/348760111.db2.gz CNUONGOAIZQRGK-UWVGGRQHSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000308822694 348760113 /nfs/dbraw/zinc/76/01/13/348760113.db2.gz CNUONGOAIZQRGK-UWVGGRQHSA-N 1 2 212.293 0.630 20 0 BCADLO C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822695 348760361 /nfs/dbraw/zinc/76/03/61/348760361.db2.gz CNUONGOAIZQRGK-VHSXEESVSA-N 1 2 212.293 0.630 20 0 BCADLO C[N@H+]1CCC[C@H]1[C@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822695 348760364 /nfs/dbraw/zinc/76/03/64/348760364.db2.gz CNUONGOAIZQRGK-VHSXEESVSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000308822695 348760369 /nfs/dbraw/zinc/76/03/69/348760369.db2.gz CNUONGOAIZQRGK-VHSXEESVSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000308822695 348760371 /nfs/dbraw/zinc/76/03/71/348760371.db2.gz CNUONGOAIZQRGK-VHSXEESVSA-N 1 2 212.293 0.630 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597861954 348830295 /nfs/dbraw/zinc/83/02/95/348830295.db2.gz FCHISLWPTRBTGK-DTWKUNHWSA-N 1 2 237.259 0.177 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597861954 348830300 /nfs/dbraw/zinc/83/03/00/348830300.db2.gz FCHISLWPTRBTGK-DTWKUNHWSA-N 1 2 237.259 0.177 20 0 BCADLO CSCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996263 348853165 /nfs/dbraw/zinc/85/31/65/348853165.db2.gz IEIMNZLXVDFQKN-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996263 348853167 /nfs/dbraw/zinc/85/31/67/348853167.db2.gz IEIMNZLXVDFQKN-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCCC(N)=O ZINC000179853297 179706588 /nfs/dbraw/zinc/70/65/88/179706588.db2.gz LFTSVKLECCKGKW-UHFFFAOYSA-N 1 2 222.248 0.387 20 0 BCADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)CC1(F)F ZINC000421739046 192377887 /nfs/dbraw/zinc/37/78/87/192377887.db2.gz YLIQABGDMGJRIL-SNVBAGLBSA-N 1 2 248.273 0.480 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCC3)C1 ZINC000421756337 192380019 /nfs/dbraw/zinc/38/00/19/192380019.db2.gz JRPWYUZZKOXCRQ-LOWVWBTDSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCC3)C1 ZINC000421756337 192380022 /nfs/dbraw/zinc/38/00/22/192380022.db2.gz JRPWYUZZKOXCRQ-LOWVWBTDSA-N 1 2 238.331 0.623 20 0 BCADLO CC[S@](=O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000598738450 349035932 /nfs/dbraw/zinc/03/59/32/349035932.db2.gz KUEYYKCYZFQOLZ-INIZCTEOSA-N 1 2 243.332 0.530 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248446996 349131913 /nfs/dbraw/zinc/13/19/13/349131913.db2.gz CXYOEKWEYBEVOK-BJOHPYRUSA-N 1 2 234.365 0.211 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248446996 349131914 /nfs/dbraw/zinc/13/19/14/349131914.db2.gz CXYOEKWEYBEVOK-BJOHPYRUSA-N 1 2 234.365 0.211 20 0 BCADLO COC(=O)CCCC[N@H+](CCO)CC(F)F ZINC000599391285 349169496 /nfs/dbraw/zinc/16/94/96/349169496.db2.gz VUVKMXAUSCFAAA-UHFFFAOYSA-N 1 2 239.262 0.889 20 0 BCADLO COC(=O)CCCC[N@@H+](CCO)CC(F)F ZINC000599391285 349169498 /nfs/dbraw/zinc/16/94/98/349169498.db2.gz VUVKMXAUSCFAAA-UHFFFAOYSA-N 1 2 239.262 0.889 20 0 BCADLO CCN(CC)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820055 490238842 /nfs/dbraw/zinc/23/88/42/490238842.db2.gz IVNKSTKAAJAAKP-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO C[NH2+]C[C@@H](C)CNc1nc(COC)ns1 ZINC000420185424 192171947 /nfs/dbraw/zinc/17/19/47/192171947.db2.gz BQYQOCYRTPEXGG-SSDOTTSWSA-N 1 2 230.337 0.374 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631930 349237092 /nfs/dbraw/zinc/23/70/92/349237092.db2.gz HYVPFHYXSHWKSA-VTVITOLOSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631930 349237094 /nfs/dbraw/zinc/23/70/94/349237094.db2.gz HYVPFHYXSHWKSA-VTVITOLOSA-N 1 2 245.344 0.533 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CC(N)=O)Cc2ccccc21 ZINC000599671104 349240234 /nfs/dbraw/zinc/24/02/34/349240234.db2.gz XOZRTPBSLMHFBC-NSHDSACASA-N 1 2 248.282 0.244 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CC(N)=O)Cc2ccccc21 ZINC000599671104 349240235 /nfs/dbraw/zinc/24/02/35/349240235.db2.gz XOZRTPBSLMHFBC-NSHDSACASA-N 1 2 248.282 0.244 20 0 BCADLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CC(N)=O ZINC000599497797 349200278 /nfs/dbraw/zinc/20/02/78/349200278.db2.gz RXNMLOCNKHKFEM-GFCCVEGCSA-N 1 2 242.319 0.668 20 0 BCADLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CC(N)=O ZINC000599497797 349200282 /nfs/dbraw/zinc/20/02/82/349200282.db2.gz RXNMLOCNKHKFEM-GFCCVEGCSA-N 1 2 242.319 0.668 20 0 BCADLO COCC1(C[NH2+][C@@H](C)C(=O)OC)CCC1 ZINC000308986513 349267246 /nfs/dbraw/zinc/26/72/46/349267246.db2.gz MAXIKTSEOWGVDW-VIFPVBQESA-N 1 2 215.293 0.954 20 0 BCADLO COCC1(C[NH2+][C@H](C)C(=O)OC)CCC1 ZINC000308986512 349267315 /nfs/dbraw/zinc/26/73/15/349267315.db2.gz MAXIKTSEOWGVDW-SECBINFHSA-N 1 2 215.293 0.954 20 0 BCADLO CCSCC[N@@H+]1CCN(C)C(=O)C1 ZINC000121885214 350013976 /nfs/dbraw/zinc/01/39/76/350013976.db2.gz GRPSDKROGXCIBK-UHFFFAOYSA-N 1 2 202.323 0.514 20 0 BCADLO CCSCC[N@H+]1CCN(C)C(=O)C1 ZINC000121885214 350013981 /nfs/dbraw/zinc/01/39/81/350013981.db2.gz GRPSDKROGXCIBK-UHFFFAOYSA-N 1 2 202.323 0.514 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)Cn1cncn1 ZINC000603813480 350037308 /nfs/dbraw/zinc/03/73/08/350037308.db2.gz YBSUBTCEJYSYDC-UHFFFAOYSA-N 1 2 231.259 0.296 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000603869823 350046896 /nfs/dbraw/zinc/04/68/96/350046896.db2.gz WXKYOKDGRBOZRF-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881255 350047639 /nfs/dbraw/zinc/04/76/39/350047639.db2.gz ADRAIGJUSSWPLV-QMMMGPOBSA-N 1 2 246.270 0.797 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1COCCO1 ZINC000603881780 350048142 /nfs/dbraw/zinc/04/81/42/350048142.db2.gz IZNZEBXRJNDPOO-SNVBAGLBSA-N 1 2 247.254 0.688 20 0 BCADLO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000604327211 350102729 /nfs/dbraw/zinc/10/27/29/350102729.db2.gz VEWHOUVJSSIWRL-SNVBAGLBSA-N 1 2 236.319 0.851 20 0 BCADLO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1C ZINC000604327211 350102733 /nfs/dbraw/zinc/10/27/33/350102733.db2.gz VEWHOUVJSSIWRL-SNVBAGLBSA-N 1 2 236.319 0.851 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C[C@@H]2CO)[nH+]1 ZINC000354883937 180005609 /nfs/dbraw/zinc/00/56/09/180005609.db2.gz KOSFOUBSIISUEZ-RKDXNWHRSA-N 1 2 248.286 0.198 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000303794861 350127684 /nfs/dbraw/zinc/12/76/84/350127684.db2.gz QUCHZPAJRVVCRA-NSHDSACASA-N 1 2 239.319 0.979 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](CO)C2)no1 ZINC000340276068 180035609 /nfs/dbraw/zinc/03/56/09/180035609.db2.gz CCGZRHBQWLBXOA-APPZFPTMSA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](CO)C2)no1 ZINC000340276068 180035610 /nfs/dbraw/zinc/03/56/10/180035610.db2.gz CCGZRHBQWLBXOA-APPZFPTMSA-N 1 2 211.265 0.753 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000219361496 350123716 /nfs/dbraw/zinc/12/37/16/350123716.db2.gz KAHSAFXHELZZTQ-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000219361496 350123719 /nfs/dbraw/zinc/12/37/19/350123719.db2.gz KAHSAFXHELZZTQ-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO Cc1nc(N[C@@H](C)C(N)=O)c2c([nH+]1)CCCC2 ZINC000272915506 180071010 /nfs/dbraw/zinc/07/10/10/180071010.db2.gz SEYFTWMNEWYRDK-ZETCQYMHSA-N 1 2 234.303 0.950 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000132518507 191032785 /nfs/dbraw/zinc/03/27/85/191032785.db2.gz BPNWBGGFWVBSIW-RKDXNWHRSA-N 1 2 228.292 0.183 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000132506342 191033505 /nfs/dbraw/zinc/03/35/05/191033505.db2.gz IXYCGDPWWNUKAG-XHNCKOQMSA-N 1 2 228.292 0.182 20 0 BCADLO Cc1nc2ccccc2nc1C[N@H+](C)CC(N)=O ZINC000051826540 350140713 /nfs/dbraw/zinc/14/07/13/350140713.db2.gz JEPCQBJOEAVASM-UHFFFAOYSA-N 1 2 244.298 0.855 20 0 BCADLO Cc1nc2ccccc2nc1C[N@@H+](C)CC(N)=O ZINC000051826540 350140718 /nfs/dbraw/zinc/14/07/18/350140718.db2.gz JEPCQBJOEAVASM-UHFFFAOYSA-N 1 2 244.298 0.855 20 0 BCADLO Cc1nc(N2C[C@@H](O)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000277434493 180068843 /nfs/dbraw/zinc/06/88/43/180068843.db2.gz MPQODSIJXZFURJ-TXEJJXNPSA-N 1 2 249.314 0.206 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000132392360 191031247 /nfs/dbraw/zinc/03/12/47/191031247.db2.gz CWXDRNHGUOCSJE-SECBINFHSA-N 1 2 203.282 0.546 20 0 BCADLO CC[C@](C)([NH2+]Cc1cc(C)on1)C(N)=O ZINC000133191371 191038516 /nfs/dbraw/zinc/03/85/16/191038516.db2.gz YLTWIICIRHCVDA-JTQLQIEISA-N 1 2 211.265 0.727 20 0 BCADLO Cc1nc2n(n1)CCN(Cc1[nH]cc[nH+]1)C2 ZINC000353680408 180113281 /nfs/dbraw/zinc/11/32/81/180113281.db2.gz JGTSEIKGXZOPHV-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO CSC[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000304527741 350162361 /nfs/dbraw/zinc/16/23/61/350162361.db2.gz SZTUBMQUJIRPIY-SECBINFHSA-N 1 2 243.336 0.288 20 0 BCADLO CSC[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000304527741 350162366 /nfs/dbraw/zinc/16/23/66/350162366.db2.gz SZTUBMQUJIRPIY-SECBINFHSA-N 1 2 243.336 0.288 20 0 BCADLO OC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000127945762 490353217 /nfs/dbraw/zinc/35/32/17/490353217.db2.gz KJJHLFVYCZECLL-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000127945762 490353227 /nfs/dbraw/zinc/35/32/27/490353227.db2.gz KJJHLFVYCZECLL-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccncn2)c[nH+]1 ZINC000353544642 180132392 /nfs/dbraw/zinc/13/23/92/180132392.db2.gz PFRYKYHDAFWGSQ-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000338973150 180143581 /nfs/dbraw/zinc/14/35/81/180143581.db2.gz LAVKBFATCJVKCQ-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1ncc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000338973150 180143583 /nfs/dbraw/zinc/14/35/83/180143583.db2.gz LAVKBFATCJVKCQ-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)s1 ZINC000178292516 180140218 /nfs/dbraw/zinc/14/02/18/180140218.db2.gz DYYAKOCHLZXDRI-SECBINFHSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCNC2=O)s1 ZINC000178292516 180140220 /nfs/dbraw/zinc/14/02/20/180140220.db2.gz DYYAKOCHLZXDRI-SECBINFHSA-N 1 2 225.317 0.772 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)nn1C ZINC000335911440 180119516 /nfs/dbraw/zinc/11/95/16/180119516.db2.gz JCZYNGPQMPTTGA-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@H](O)C1 ZINC000339224569 180120653 /nfs/dbraw/zinc/12/06/53/180120653.db2.gz JCSHDFUUZLPRFA-IUCAKERBSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncnc1 ZINC000355066453 180121194 /nfs/dbraw/zinc/12/11/94/180121194.db2.gz XPFJNCJDQQJTCR-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncccc1O ZINC000359500966 180121329 /nfs/dbraw/zinc/12/13/29/180121329.db2.gz LCFUBGVVRNBUGU-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO COCCNc1nc(C)[nH+]c(NCCOC)n1 ZINC000002034761 350184950 /nfs/dbraw/zinc/18/49/50/350184950.db2.gz MYSMGFPWJHSRAE-UHFFFAOYSA-N 1 2 241.295 0.297 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc[nH+]1 ZINC000364430974 180193967 /nfs/dbraw/zinc/19/39/67/180193967.db2.gz RRVJUWWKFLKDGN-JBLDHEPKSA-N 1 2 246.314 0.875 20 0 BCADLO Cc1nc(N2CC[C@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000279139839 180193973 /nfs/dbraw/zinc/19/39/73/180193973.db2.gz RURMROSIXWOCGX-LBPRGKRZSA-N 1 2 232.287 0.501 20 0 BCADLO Cc1nc(N2CC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000266156449 180195017 /nfs/dbraw/zinc/19/50/17/180195017.db2.gz VGLAYCKOYXESFS-MRVPVSSYSA-N 1 2 206.249 0.097 20 0 BCADLO Cc1nc(N2C[C@H](CO)[C@H](C)C2)cc[nH+]1 ZINC000357666295 180195502 /nfs/dbraw/zinc/19/55/02/180195502.db2.gz YWZQOOKPVYFTHU-PSASIEDQSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1nc(NCCS(=O)(=O)N(C)C)cc[nH+]1 ZINC000231011200 180197496 /nfs/dbraw/zinc/19/74/96/180197496.db2.gz VEYVEIQILBVJGO-UHFFFAOYSA-N 1 2 244.320 0.088 20 0 BCADLO Cc1nc(NCCCNS(C)(=O)=O)cc[nH+]1 ZINC000230897625 180197719 /nfs/dbraw/zinc/19/77/19/180197719.db2.gz CYLVIRLYMPTIEP-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO Cc1nc(NCC(=O)NCC(F)(F)F)cc[nH+]1 ZINC000266327767 180199303 /nfs/dbraw/zinc/19/93/03/180199303.db2.gz GKADYSLUNZGHJL-UHFFFAOYSA-N 1 2 248.208 0.875 20 0 BCADLO Cc1nccc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000085485887 180201072 /nfs/dbraw/zinc/20/10/72/180201072.db2.gz XUQRXRPMTJMBTK-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nccc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000085485887 180201074 /nfs/dbraw/zinc/20/10/74/180201074.db2.gz XUQRXRPMTJMBTK-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1nc(NC[C@@H](CO)[C@H]2CCOC2)cc[nH+]1 ZINC000281053194 180201379 /nfs/dbraw/zinc/20/13/79/180201379.db2.gz SGKFFNZPOSOXSO-QWRGUYRKSA-N 1 2 237.303 0.842 20 0 BCADLO Cc1nccc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000054936243 180204772 /nfs/dbraw/zinc/20/47/72/180204772.db2.gz JTCXYDIAWUCQCA-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(N[C@@H]2CCc3nnnn3CC2)cc[nH+]1 ZINC000333871429 180206405 /nfs/dbraw/zinc/20/64/05/180206405.db2.gz SAAOYZUXSUZBOI-SECBINFHSA-N 1 2 245.290 0.589 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)n1 ZINC000366490266 180186640 /nfs/dbraw/zinc/18/66/40/180186640.db2.gz QQBAUWLXTLJTET-JQWIXIFHSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)n1 ZINC000366490266 180186642 /nfs/dbraw/zinc/18/66/42/180186642.db2.gz QQBAUWLXTLJTET-JQWIXIFHSA-N 1 2 247.298 0.922 20 0 BCADLO Cc1ncccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264452591 180212299 /nfs/dbraw/zinc/21/22/99/180212299.db2.gz IKSWJUGSAKTTIU-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264452591 180212304 /nfs/dbraw/zinc/21/23/04/180212304.db2.gz IKSWJUGSAKTTIU-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000085727796 180227063 /nfs/dbraw/zinc/22/70/63/180227063.db2.gz AWYCIQHYRNUWPV-SNVBAGLBSA-N 1 2 221.260 0.317 20 0 BCADLO CCC[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000305051037 490414872 /nfs/dbraw/zinc/41/48/72/490414872.db2.gz HEJUHODBBZGVRJ-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000309293286 350269243 /nfs/dbraw/zinc/26/92/43/350269243.db2.gz KAWDLGHKEZJZMK-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000309293286 350269246 /nfs/dbraw/zinc/26/92/46/350269246.db2.gz KAWDLGHKEZJZMK-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000049973846 350272697 /nfs/dbraw/zinc/27/26/97/350272697.db2.gz BTPMBZVLNHUAKV-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000049973846 350272700 /nfs/dbraw/zinc/27/27/00/350272700.db2.gz BTPMBZVLNHUAKV-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO c1cc(NCc2nn[nH]n2)nc(C2CC2)[nH+]1 ZINC000309305709 350274491 /nfs/dbraw/zinc/27/44/91/350274491.db2.gz AQHOIILHYUHYHI-UHFFFAOYSA-N 1 2 217.236 0.479 20 0 BCADLO Cc1ncncc1C(=O)NCc1[nH]cc[nH+]1 ZINC000358124146 180295064 /nfs/dbraw/zinc/29/50/64/180295064.db2.gz ITTMHHVJZZCEEM-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1ncsc1C[N@@H+](C)CC(=O)N(C)C ZINC000066565836 180312700 /nfs/dbraw/zinc/31/27/00/180312700.db2.gz MEKJOLVUOKQAMY-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO Cc1ncsc1C[N@H+](C)CC(=O)N(C)C ZINC000066565836 180312702 /nfs/dbraw/zinc/31/27/02/180312702.db2.gz MEKJOLVUOKQAMY-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465673 350343538 /nfs/dbraw/zinc/34/35/38/350343538.db2.gz KKQJCJSNMGFBOM-ZJUUUORDSA-N 1 2 222.292 0.114 20 0 BCADLO Cc1ncsc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000265897479 180309888 /nfs/dbraw/zinc/30/98/88/180309888.db2.gz TWNYKYKYRWMQMI-UHFFFAOYSA-N 1 2 239.344 0.768 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000265897479 180309890 /nfs/dbraw/zinc/30/98/90/180309890.db2.gz TWNYKYKYRWMQMI-UHFFFAOYSA-N 1 2 239.344 0.768 20 0 BCADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)C(N)=O ZINC000606580748 350374206 /nfs/dbraw/zinc/37/42/06/350374206.db2.gz CQKOHWCVFVFAOI-SSDOTTSWSA-N 1 2 247.258 0.330 20 0 BCADLO COc1ccc[nH+]c1N[C@@H]1CC(=O)N(C)C1 ZINC000309252451 323332603 /nfs/dbraw/zinc/33/26/03/323332603.db2.gz AKSLBZJFDANZNT-MRVPVSSYSA-N 1 2 221.260 0.733 20 0 BCADLO Cc1nn(C)c(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991255 180334059 /nfs/dbraw/zinc/33/40/59/180334059.db2.gz LJZXNZIXDMCWAO-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CCc1cc(N[C@H]2CCS(=O)(=O)C2)nc[nH+]1 ZINC000040765039 350394373 /nfs/dbraw/zinc/39/43/73/350394373.db2.gz YSFNEXKZZWBYKA-VIFPVBQESA-N 1 2 241.316 0.638 20 0 BCADLO CCc1cc(NCCCS(C)(=O)=O)nc[nH+]1 ZINC000040765205 350395327 /nfs/dbraw/zinc/39/53/27/350395327.db2.gz QCJADZCFCUHZPP-UHFFFAOYSA-N 1 2 243.332 0.886 20 0 BCADLO CC[N@@H+](Cc1nnn(C)n1)CC1CCC1 ZINC000336689407 350445333 /nfs/dbraw/zinc/44/53/33/350445333.db2.gz CRCCEJVCNIHLMH-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO CC[N@H+](Cc1nnn(C)n1)CC1CCC1 ZINC000336689407 350445336 /nfs/dbraw/zinc/44/53/36/350445336.db2.gz CRCCEJVCNIHLMH-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cc1nn(C)c2ncc(C[N@H+](C)CC(N)=O)cc12 ZINC000299059582 180363441 /nfs/dbraw/zinc/36/34/41/180363441.db2.gz TXZNTSFPTKYBOC-UHFFFAOYSA-N 1 2 247.302 0.194 20 0 BCADLO Cc1nn(C)c2ncc(C[N@@H+](C)CC(N)=O)cc12 ZINC000299059582 180363443 /nfs/dbraw/zinc/36/34/43/180363443.db2.gz TXZNTSFPTKYBOC-UHFFFAOYSA-N 1 2 247.302 0.194 20 0 BCADLO Cc1nn(C)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000113157806 180366571 /nfs/dbraw/zinc/36/65/71/180366571.db2.gz CXKONBASDPWORF-UHFFFAOYSA-N 1 2 248.330 0.649 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)CC(=O)N(C)C ZINC000162464631 180373328 /nfs/dbraw/zinc/37/33/28/180373328.db2.gz KKNIYRKTEXYZCA-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)CC(=O)N(C)C ZINC000162464631 180373330 /nfs/dbraw/zinc/37/33/30/180373330.db2.gz KKNIYRKTEXYZCA-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000271219469 180371931 /nfs/dbraw/zinc/37/19/31/180371931.db2.gz YHGPPDNQESOYBW-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000271219469 180371935 /nfs/dbraw/zinc/37/19/35/180371935.db2.gz YHGPPDNQESOYBW-LLVKDONJSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282253979 180372139 /nfs/dbraw/zinc/37/21/39/180372139.db2.gz BLSYHYOFCWRTJN-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282253979 180372141 /nfs/dbraw/zinc/37/21/41/180372141.db2.gz BLSYHYOFCWRTJN-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO CC[N@H+](Cc1nc(C)no1)[C@@H]1CCOC1 ZINC000336686449 350443394 /nfs/dbraw/zinc/44/33/94/350443394.db2.gz LCCNWMKIKSYVJF-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+](Cc1nc(C)no1)[C@@H]1CCOC1 ZINC000336686449 350443398 /nfs/dbraw/zinc/44/33/98/350443398.db2.gz LCCNWMKIKSYVJF-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO Cn1cncc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134103452 191106807 /nfs/dbraw/zinc/10/68/07/191106807.db2.gz VMSHSCVJTRXFJG-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1cncc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000134103452 191106810 /nfs/dbraw/zinc/10/68/10/191106810.db2.gz VMSHSCVJTRXFJG-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1c[nH+]cc1CN1CCCC2(C1)OCCO2 ZINC000134103452 191106813 /nfs/dbraw/zinc/10/68/13/191106813.db2.gz VMSHSCVJTRXFJG-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](CO)C1 ZINC000051886592 350543960 /nfs/dbraw/zinc/54/39/60/350543960.db2.gz ZEPVQMMAIQJJOT-MRVPVSSYSA-N 1 2 233.275 0.182 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc[nH]1 ZINC000335329471 538095503 /nfs/dbraw/zinc/09/55/03/538095503.db2.gz MQSLVQZGFWALOU-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO Cc1[nH]c(CN2CC(C)(CO)C2)[nH+]c1C ZINC000628307448 350603288 /nfs/dbraw/zinc/60/32/88/350603288.db2.gz KMDBZDFABOWLAB-UHFFFAOYSA-N 1 2 209.293 0.841 20 0 BCADLO CCCN(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445331 350586841 /nfs/dbraw/zinc/58/68/41/350586841.db2.gz JLTLUDMPWSWWSF-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445331 350586843 /nfs/dbraw/zinc/58/68/43/350586843.db2.gz JLTLUDMPWSWWSF-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cnc(C)o2)C1 ZINC000628307406 350599972 /nfs/dbraw/zinc/59/99/72/350599972.db2.gz IDRNIYBZJNSSFD-UHFFFAOYSA-N 1 2 209.249 0.161 20 0 BCADLO CC[C@@H](O)[C@@H](CC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577529607 365980105 /nfs/dbraw/zinc/98/01/05/365980105.db2.gz VMPKPKUOHSAHHH-GHMZBOCLSA-N 1 2 242.363 0.994 20 0 BCADLO C[C@@H](C(=O)NCC(F)(F)CO)[NH+]1CC(C)C1 ZINC000577529390 365981184 /nfs/dbraw/zinc/98/11/84/365981184.db2.gz RMJVZESEDGKWLG-QMMMGPOBSA-N 1 2 236.262 0.070 20 0 BCADLO c1ccc(-c2nn[nH]n2)c(C[NH+]2CCOCC2)c1 ZINC000095237479 350658358 /nfs/dbraw/zinc/65/83/58/350658358.db2.gz LGZXAQVBCPPRLX-UHFFFAOYSA-N 1 2 245.286 0.699 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)C2CCC2)c[nH+]1 ZINC000617305512 350714456 /nfs/dbraw/zinc/71/44/56/350714456.db2.gz PDRPOJFRGAKFAL-JTQLQIEISA-N 1 2 223.276 0.609 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC=C(F)C1 ZINC000575918562 350684644 /nfs/dbraw/zinc/68/46/44/350684644.db2.gz YCQSKGSVBFVXRU-UHFFFAOYSA-N 1 2 209.224 0.969 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC[C@](O)(CO)C2)n1 ZINC000628307883 350689009 /nfs/dbraw/zinc/68/90/09/350689009.db2.gz IIRCTBRBCGAUPX-LLVKDONJSA-N 1 2 225.292 0.037 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC[C@](O)(CO)C2)n1 ZINC000628307883 350689014 /nfs/dbraw/zinc/68/90/14/350689014.db2.gz IIRCTBRBCGAUPX-LLVKDONJSA-N 1 2 225.292 0.037 20 0 BCADLO COCC1(O)C[NH+](Cc2oc(C)nc2C)C1 ZINC000628308081 350726435 /nfs/dbraw/zinc/72/64/35/350726435.db2.gz UZXDTYRTGHEEQC-UHFFFAOYSA-N 1 2 226.276 0.485 20 0 BCADLO CC[C@@H](O)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000339011883 350727503 /nfs/dbraw/zinc/72/75/03/350727503.db2.gz VTPPTGFTBQRYBG-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000339011883 350727506 /nfs/dbraw/zinc/72/75/06/350727506.db2.gz VTPPTGFTBQRYBG-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO COCC1(O)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628308198 350740076 /nfs/dbraw/zinc/74/00/76/350740076.db2.gz ZXGVDCYUHUFGEG-UHFFFAOYSA-N 1 2 225.292 0.220 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000051736711 350814962 /nfs/dbraw/zinc/81/49/62/350814962.db2.gz RSHPSZXAPRTHFC-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000051736711 350814963 /nfs/dbraw/zinc/81/49/63/350814963.db2.gz RSHPSZXAPRTHFC-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000339588491 350766565 /nfs/dbraw/zinc/76/65/65/350766565.db2.gz ZKNAYWVFVKALDR-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000339588491 350766567 /nfs/dbraw/zinc/76/65/67/350766567.db2.gz ZKNAYWVFVKALDR-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@H](CF)C2)[nH+]1 ZINC000628310192 350788201 /nfs/dbraw/zinc/78/82/01/350788201.db2.gz REJKSTQOIPJOTO-SECBINFHSA-N 1 2 213.256 0.888 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cnns1 ZINC000306689914 350844180 /nfs/dbraw/zinc/84/41/80/350844180.db2.gz ACYZBIFHIMWALZ-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cnns1 ZINC000306689914 350844185 /nfs/dbraw/zinc/84/41/85/350844185.db2.gz ACYZBIFHIMWALZ-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(N)=O ZINC000051826810 350850301 /nfs/dbraw/zinc/85/03/01/350850301.db2.gz IUQMHAWFRWSOHG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(N)=O ZINC000051826810 350850303 /nfs/dbraw/zinc/85/03/03/350850303.db2.gz IUQMHAWFRWSOHG-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(N)=O ZINC000051826812 350850510 /nfs/dbraw/zinc/85/05/10/350850510.db2.gz IUQMHAWFRWSOHG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(N)=O ZINC000051826812 350850512 /nfs/dbraw/zinc/85/05/12/350850512.db2.gz IUQMHAWFRWSOHG-JTQLQIEISA-N 1 2 241.335 0.195 20 0 BCADLO c1nc(C[NH2+]C2COCCOC2)cs1 ZINC000306707142 350855315 /nfs/dbraw/zinc/85/53/15/350855315.db2.gz MNWJWOMOVVIOJA-UHFFFAOYSA-N 1 2 214.290 0.648 20 0 BCADLO Cc1c(C[N@@H+](C)[C@@H](C)C(N)=O)cnn1C ZINC000577596188 366011281 /nfs/dbraw/zinc/01/12/81/366011281.db2.gz SBGDEXKNBSMNEH-QMMMGPOBSA-N 1 2 210.281 0.034 20 0 BCADLO Cc1c(C[N@H+](C)[C@@H](C)C(N)=O)cnn1C ZINC000577596188 366011285 /nfs/dbraw/zinc/01/12/85/366011285.db2.gz SBGDEXKNBSMNEH-QMMMGPOBSA-N 1 2 210.281 0.034 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086759574 350928906 /nfs/dbraw/zinc/92/89/06/350928906.db2.gz XOYWUIOHEHNDEH-DTWKUNHWSA-N 1 2 223.276 0.793 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)N(C)C)s1 ZINC000052100977 350937583 /nfs/dbraw/zinc/93/75/83/350937583.db2.gz CQSZIPAZVWWRAR-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)N(C)C)s1 ZINC000052100977 350937586 /nfs/dbraw/zinc/93/75/86/350937586.db2.gz CQSZIPAZVWWRAR-UHFFFAOYSA-N 1 2 227.333 0.972 20 0 BCADLO C[C@H]([NH2+]CCC(N)=O)c1nc(C(C)(C)C)no1 ZINC000577602885 366013517 /nfs/dbraw/zinc/01/35/17/366013517.db2.gz RFMCFKHZKMAVNX-ZETCQYMHSA-N 1 2 240.307 0.893 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000052188539 350961171 /nfs/dbraw/zinc/96/11/71/350961171.db2.gz CRRPSCLPZPQLON-UHFFFAOYSA-N 1 2 249.314 0.353 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000052188539 350961175 /nfs/dbraw/zinc/96/11/75/350961175.db2.gz CRRPSCLPZPQLON-UHFFFAOYSA-N 1 2 249.314 0.353 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000344163601 351015971 /nfs/dbraw/zinc/01/59/71/351015971.db2.gz VVIYCVLWRFDOEW-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1O ZINC000398288088 351018970 /nfs/dbraw/zinc/01/89/70/351018970.db2.gz JZYGINYJVJCIRT-UHFFFAOYSA-N 1 2 234.259 0.809 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H](C2CCC2)C1 ZINC000572849637 351025762 /nfs/dbraw/zinc/02/57/62/351025762.db2.gz SRVVQZMDOYBNDU-LBPRGKRZSA-N 1 2 249.314 0.911 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000070753478 351066189 /nfs/dbraw/zinc/06/61/89/351066189.db2.gz LNUPJZUEOQIOTI-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000070753478 351066193 /nfs/dbraw/zinc/06/61/93/351066193.db2.gz LNUPJZUEOQIOTI-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CCOC1C[NH+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000383120706 351150293 /nfs/dbraw/zinc/15/02/93/351150293.db2.gz BNDXKFPUXQCFGR-QWRGUYRKSA-N 1 2 247.335 0.120 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)OC(C)(C)C ZINC000616641747 351151514 /nfs/dbraw/zinc/15/15/14/351151514.db2.gz OJYSKLRTNDEVKZ-SECBINFHSA-N 1 2 230.308 0.842 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)OC(C)(C)C ZINC000616641747 351151516 /nfs/dbraw/zinc/15/15/16/351151516.db2.gz OJYSKLRTNDEVKZ-SECBINFHSA-N 1 2 230.308 0.842 20 0 BCADLO Cc1[nH]c(CN2CC(C)(C(N)=O)C2)[nH+]c1C ZINC000628321451 351183771 /nfs/dbraw/zinc/18/37/71/351183771.db2.gz IMNDEXCBNFAKJG-UHFFFAOYSA-N 1 2 222.292 0.334 20 0 BCADLO CCCn1cc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398392481 351130727 /nfs/dbraw/zinc/13/07/27/351130727.db2.gz XKHFTUJYIOGOCI-UHFFFAOYSA-N 1 2 220.280 0.701 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H]1COCCO1 ZINC000265090247 351262745 /nfs/dbraw/zinc/26/27/45/351262745.db2.gz BDKBVFUZRIDFPF-LLVKDONJSA-N 1 2 236.271 0.998 20 0 BCADLO CC(C)CN1CC(=O)N[C@H]1c1c[nH+]cn1C ZINC000270124792 351374980 /nfs/dbraw/zinc/37/49/80/351374980.db2.gz NDZFREQHRVQIIJ-LLVKDONJSA-N 1 2 222.292 0.507 20 0 BCADLO CC(C)CN1CC(=O)N[C@@H]1c1c[nH+]cn1C ZINC000270124802 351375122 /nfs/dbraw/zinc/37/51/22/351375122.db2.gz NDZFREQHRVQIIJ-NSHDSACASA-N 1 2 222.292 0.507 20 0 BCADLO C[C@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270959386 351392912 /nfs/dbraw/zinc/39/29/12/351392912.db2.gz QOKFKNCDRLBAHC-QMMMGPOBSA-N 1 2 223.276 0.497 20 0 BCADLO CC[C@@H](O)CCNC(=O)NCc1[nH+]ccn1C ZINC000268775811 351340307 /nfs/dbraw/zinc/34/03/07/351340307.db2.gz COPBOFQEHINLLW-SECBINFHSA-N 1 2 240.307 0.380 20 0 BCADLO Cc1cc(NC[C@H]2CCCS2(=O)=O)nc[nH+]1 ZINC000087971991 351441949 /nfs/dbraw/zinc/44/19/49/351441949.db2.gz PLUYUHQXHHHXMX-SECBINFHSA-N 1 2 241.316 0.774 20 0 BCADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCOC[C@@H]2C)C1 ZINC000058755437 351473277 /nfs/dbraw/zinc/47/32/77/351473277.db2.gz RDKCHIKCHIXIAA-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCOC[C@@H]2C)C1 ZINC000058755437 351473278 /nfs/dbraw/zinc/47/32/78/351473278.db2.gz RDKCHIKCHIXIAA-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000061679059 191135711 /nfs/dbraw/zinc/13/57/11/191135711.db2.gz GXPHGCMEXLNZFQ-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000061679059 191135714 /nfs/dbraw/zinc/13/57/14/191135714.db2.gz GXPHGCMEXLNZFQ-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO Cc1nc(N2C[C@H](CO)OC[C@@H]2C)cc[nH+]1 ZINC000088093922 351566928 /nfs/dbraw/zinc/56/69/28/351566928.db2.gz SBVHKMPJQCDVAU-WCBMZHEXSA-N 1 2 223.276 0.371 20 0 BCADLO Cc1cc(N2C[C@@H](CO)OC[C@@H]2C)nc[nH+]1 ZINC000088093981 351568228 /nfs/dbraw/zinc/56/82/28/351568228.db2.gz JRJPELULDCZOBR-UWVGGRQHSA-N 1 2 223.276 0.371 20 0 BCADLO CCC(=O)N1CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000577623716 366022912 /nfs/dbraw/zinc/02/29/12/366022912.db2.gz YPBDWSSNJUPZSW-SNVBAGLBSA-N 1 2 239.319 0.024 20 0 BCADLO CCC(=O)N1CC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000577623716 366022917 /nfs/dbraw/zinc/02/29/17/366022917.db2.gz YPBDWSSNJUPZSW-SNVBAGLBSA-N 1 2 239.319 0.024 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCOCC1 ZINC000577672009 366033344 /nfs/dbraw/zinc/03/33/44/366033344.db2.gz NKUMBUKJQMQQJC-UHFFFAOYSA-N 1 2 209.249 0.132 20 0 BCADLO Cn1c2ccccc2nc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278729965 180618241 /nfs/dbraw/zinc/61/82/41/180618241.db2.gz LCFMENOQLKMDEH-RYUDHWBXSA-N 1 2 247.298 0.111 20 0 BCADLO OCC[NH+]1CCN(Cc2ccns2)CC1 ZINC000637812076 351647226 /nfs/dbraw/zinc/64/72/26/351647226.db2.gz VXSGHEABWNQNDE-UHFFFAOYSA-N 1 2 227.333 0.253 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1occc1C ZINC000276545855 351630838 /nfs/dbraw/zinc/63/08/38/351630838.db2.gz FQNUOACJQRRFAZ-NXEZZACHSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1occc1C ZINC000276545855 351630842 /nfs/dbraw/zinc/63/08/42/351630842.db2.gz FQNUOACJQRRFAZ-NXEZZACHSA-N 1 2 239.271 0.696 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)Nc1nncs1 ZINC000276546428 351631019 /nfs/dbraw/zinc/63/10/19/351631019.db2.gz JUJFCININFBRBY-UHFFFAOYSA-N 1 2 237.288 0.843 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC1(CO)CC1 ZINC000577746907 366051687 /nfs/dbraw/zinc/05/16/87/366051687.db2.gz LJXGJCTWPYPXFR-UHFFFAOYSA-N 1 2 238.291 0.276 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC1(CO)CC1 ZINC000577746907 366051694 /nfs/dbraw/zinc/05/16/94/366051694.db2.gz LJXGJCTWPYPXFR-UHFFFAOYSA-N 1 2 238.291 0.276 20 0 BCADLO C[N@H+](Cc1ccco1)Cc1cnc(N)nc1N ZINC000637862437 351723566 /nfs/dbraw/zinc/72/35/66/351723566.db2.gz WZJVDIAFQWNVCL-UHFFFAOYSA-N 1 2 233.275 0.527 20 0 BCADLO C[N@@H+](Cc1ccco1)Cc1cnc(N)nc1N ZINC000637862437 351723568 /nfs/dbraw/zinc/72/35/68/351723568.db2.gz WZJVDIAFQWNVCL-UHFFFAOYSA-N 1 2 233.275 0.527 20 0 BCADLO CCC(CC)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637875927 351740423 /nfs/dbraw/zinc/74/04/23/351740423.db2.gz YCZSZEDNGNVBAR-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637874960 351743343 /nfs/dbraw/zinc/74/33/43/351743343.db2.gz BTSPUBLIQNMNAO-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1csnn1 ZINC000307253633 351780819 /nfs/dbraw/zinc/78/08/19/351780819.db2.gz VTPUKMJVNBHMLH-CBAPKCEASA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1csnn1 ZINC000307253633 351780822 /nfs/dbraw/zinc/78/08/22/351780822.db2.gz VTPUKMJVNBHMLH-CBAPKCEASA-N 1 2 213.306 0.883 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000637953614 351830199 /nfs/dbraw/zinc/83/01/99/351830199.db2.gz OUYKNTUCWWRGDP-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccns1 ZINC000637953614 351830203 /nfs/dbraw/zinc/83/02/03/351830203.db2.gz OUYKNTUCWWRGDP-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)o1 ZINC000124006057 191142056 /nfs/dbraw/zinc/14/20/56/191142056.db2.gz IIOKAPGYTRNZTJ-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@](C)(O)C2)o1 ZINC000124006057 191142059 /nfs/dbraw/zinc/14/20/59/191142059.db2.gz IIOKAPGYTRNZTJ-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)no1 ZINC000280734452 351858244 /nfs/dbraw/zinc/85/82/44/351858244.db2.gz LRUOVKQSEIIWEU-LLVKDONJSA-N 1 2 238.291 0.329 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)no1 ZINC000280734452 351858249 /nfs/dbraw/zinc/85/82/49/351858249.db2.gz LRUOVKQSEIIWEU-LLVKDONJSA-N 1 2 238.291 0.329 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)n1C ZINC000124710017 191143390 /nfs/dbraw/zinc/14/33/90/191143390.db2.gz MRANRUFBXXOSCM-NSHDSACASA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@](C)(O)C2)n1C ZINC000124710017 191143392 /nfs/dbraw/zinc/14/33/92/191143392.db2.gz MRANRUFBXXOSCM-NSHDSACASA-N 1 2 224.308 0.470 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000637988423 351863484 /nfs/dbraw/zinc/86/34/84/351863484.db2.gz ARVVEBNPOMXHJI-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000637988423 351863486 /nfs/dbraw/zinc/86/34/86/351863486.db2.gz ARVVEBNPOMXHJI-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO CC[N@H+](Cc1ccc(F)cn1)[C@@H]1CCNC1=O ZINC000282244886 351928097 /nfs/dbraw/zinc/92/80/97/351928097.db2.gz GFPVBEIRKUNCIO-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCNC1=O ZINC000282244886 351928100 /nfs/dbraw/zinc/92/81/00/351928100.db2.gz GFPVBEIRKUNCIO-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CCN(Cc1[nH+]ccn1C)[C@H]1CCNC1=O ZINC000282304817 351929331 /nfs/dbraw/zinc/92/93/31/351929331.db2.gz JYTABIHFADNFME-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@H+](Cc1cncc(F)c1)[C@@H]1CCNC1=O ZINC000282459192 351933334 /nfs/dbraw/zinc/93/33/34/351933334.db2.gz TUBOAWNFAOAIBX-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1cncc(F)c1)[C@@H]1CCNC1=O ZINC000282459192 351933336 /nfs/dbraw/zinc/93/33/36/351933336.db2.gz TUBOAWNFAOAIBX-LLVKDONJSA-N 1 2 237.278 0.931 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638175939 352042324 /nfs/dbraw/zinc/04/23/24/352042324.db2.gz ACPVIAUBGWANQX-LDYMZIIASA-N 1 2 236.319 0.375 20 0 BCADLO COc1ncc(C[N@H+](C)[C@@H]2CCNC2=O)s1 ZINC000638182326 352049018 /nfs/dbraw/zinc/04/90/18/352049018.db2.gz KFQRGJHJVVCFTK-MRVPVSSYSA-N 1 2 241.316 0.472 20 0 BCADLO COc1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)s1 ZINC000638182326 352049019 /nfs/dbraw/zinc/04/90/19/352049019.db2.gz KFQRGJHJVVCFTK-MRVPVSSYSA-N 1 2 241.316 0.472 20 0 BCADLO CCCCOCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163779728 352131722 /nfs/dbraw/zinc/13/17/22/352131722.db2.gz AYIGDXKAVXEJOT-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163779728 352131727 /nfs/dbraw/zinc/13/17/27/352131727.db2.gz AYIGDXKAVXEJOT-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)[C@H](C)C1 ZINC000288540774 352155122 /nfs/dbraw/zinc/15/51/22/352155122.db2.gz SHZHFLKZNHTHPI-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ccc(C=O)[nH]2)[C@H](C)C1 ZINC000288540774 352155125 /nfs/dbraw/zinc/15/51/25/352155125.db2.gz SHZHFLKZNHTHPI-SNVBAGLBSA-N 1 2 249.314 0.993 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC[C@H]1CO ZINC000083995490 352207499 /nfs/dbraw/zinc/20/74/99/352207499.db2.gz ZZSUCJQLBDKUJT-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC[C@H]1CO ZINC000083995490 352207501 /nfs/dbraw/zinc/20/75/01/352207501.db2.gz ZZSUCJQLBDKUJT-JTQLQIEISA-N 1 2 224.308 0.645 20 0 BCADLO COC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613390751 363163123 /nfs/dbraw/zinc/16/31/23/363163123.db2.gz YUYPQBHTUHUBEL-PWSUYJOCSA-N 1 2 237.299 0.914 20 0 BCADLO C[C@@]1(C2CC2)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000617390419 352243759 /nfs/dbraw/zinc/24/37/59/352243759.db2.gz JXPGVMYVVOKQSX-ZDUSSCGKSA-N 1 2 249.314 0.911 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1ncc[nH]1)CC2 ZINC000613401796 363171062 /nfs/dbraw/zinc/17/10/62/363171062.db2.gz XDRHNKORHFUCSI-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](O)C1CC1)CC2 ZINC000613401689 363171567 /nfs/dbraw/zinc/17/15/67/363171567.db2.gz WGQWBZAHTRGMCM-NSHDSACASA-N 1 2 235.287 0.305 20 0 BCADLO CC[NH2+][C@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000638443323 352252912 /nfs/dbraw/zinc/25/29/12/352252912.db2.gz KJMQGDBLQLLAOL-SNVBAGLBSA-N 1 2 238.335 0.765 20 0 BCADLO COc1ccnc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000638443206 352253359 /nfs/dbraw/zinc/25/33/59/352253359.db2.gz JSRJBKBFEYLACW-QMMMGPOBSA-N 1 2 239.300 0.691 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cncs1 ZINC000411292083 191175862 /nfs/dbraw/zinc/17/58/62/191175862.db2.gz LWWMNWOYFYGESU-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cncs1 ZINC000411292083 191175864 /nfs/dbraw/zinc/17/58/64/191175864.db2.gz LWWMNWOYFYGESU-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc[nH]c1 ZINC000336018979 538102787 /nfs/dbraw/zinc/10/27/87/538102787.db2.gz JDLVNXYOGHCSHE-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO CC[C@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411437172 191185988 /nfs/dbraw/zinc/18/59/88/191185988.db2.gz HCMHYGDZTVGPAS-SCZZXKLOSA-N 1 2 203.282 0.689 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cscn1 ZINC000295023227 352393781 /nfs/dbraw/zinc/39/37/81/352393781.db2.gz MIUWQCMZRPAYJX-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cscn1 ZINC000295023227 352393786 /nfs/dbraw/zinc/39/37/86/352393786.db2.gz MIUWQCMZRPAYJX-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO Cn1cc[nH+]c1CN1CCC[C@]12CCOC2=O ZINC000186735049 180741440 /nfs/dbraw/zinc/74/14/40/180741440.db2.gz ISAHVIQUBXDCLX-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(COCC1CC1)NCc1c[nH+]c[nH]1 ZINC000607948775 352454644 /nfs/dbraw/zinc/45/46/44/352454644.db2.gz SINIPSZTZXBKEA-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO O=C(COCC1CC1)NCc1c[nH]c[nH+]1 ZINC000607948775 352454648 /nfs/dbraw/zinc/45/46/48/352454648.db2.gz SINIPSZTZXBKEA-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO CC[C@@](COC)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411813996 191213253 /nfs/dbraw/zinc/21/32/53/191213253.db2.gz GDCWBAWYQWRRFM-KOLCDFICSA-N 1 2 233.308 0.315 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCS1 ZINC000266421175 180745662 /nfs/dbraw/zinc/74/56/62/180745662.db2.gz FWQKFKIOZWUTLM-MRVPVSSYSA-N 1 2 225.317 0.932 20 0 BCADLO CSCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151229054 352474005 /nfs/dbraw/zinc/47/40/05/352474005.db2.gz DUBMEZSLBXVXNJ-VIFPVBQESA-N 1 2 248.417 0.903 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000608009633 352597272 /nfs/dbraw/zinc/59/72/72/352597272.db2.gz LDPVZLFRQHGOLY-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CCC2)C1)NC1CC1 ZINC000411858670 191222605 /nfs/dbraw/zinc/22/26/05/191222605.db2.gz JJSXKYDJWLDVJC-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CCC2)C1)NC1CC1 ZINC000411858670 191222608 /nfs/dbraw/zinc/22/26/08/191222608.db2.gz JJSXKYDJWLDVJC-LBPRGKRZSA-N 1 2 238.331 0.766 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)C[C@H]1CCOC1)C2 ZINC000377775334 180776580 /nfs/dbraw/zinc/77/65/80/180776580.db2.gz FLJZARJNIJHYDL-SNVBAGLBSA-N 1 2 249.314 0.731 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c[nH+]1 ZINC000617438547 352684965 /nfs/dbraw/zinc/68/49/65/352684965.db2.gz YKUZSZGMIYWXGX-SVRRBLITSA-N 1 2 246.274 0.745 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2ncccc2O)[C@H](C)C1 ZINC000341796166 352725144 /nfs/dbraw/zinc/72/51/44/352725144.db2.gz ICNFQHRHEYFVOG-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2ncccc2O)[C@H](C)C1 ZINC000341796166 352725145 /nfs/dbraw/zinc/72/51/45/352725145.db2.gz ICNFQHRHEYFVOG-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CC3)C[C@@H]21 ZINC000334183937 352772509 /nfs/dbraw/zinc/77/25/09/352772509.db2.gz BRKGBGXFEKWXSA-QWRGUYRKSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CC3)C[C@@H]21 ZINC000334183937 352772513 /nfs/dbraw/zinc/77/25/13/352772513.db2.gz BRKGBGXFEKWXSA-QWRGUYRKSA-N 1 2 239.319 0.263 20 0 BCADLO O=C(CO)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000334191260 352781727 /nfs/dbraw/zinc/78/17/27/352781727.db2.gz IHVGKLMFEJPGJP-NSHDSACASA-N 1 2 238.262 0.291 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000334204907 352799197 /nfs/dbraw/zinc/79/91/97/352799197.db2.gz SXJIPXZHZFQXBJ-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000334204907 352799202 /nfs/dbraw/zinc/79/92/02/352799202.db2.gz SXJIPXZHZFQXBJ-SECBINFHSA-N 1 2 224.304 0.518 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000342807526 352860245 /nfs/dbraw/zinc/86/02/45/352860245.db2.gz NEUSAMLNIBFTNG-VIFPVBQESA-N 1 2 238.335 0.542 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H]3COC[C@H](C2)O3)n1C ZINC000342856698 352877856 /nfs/dbraw/zinc/87/78/56/352877856.db2.gz JQTYQKBSLLUFRV-PHIMTYICSA-N 1 2 237.303 0.328 20 0 BCADLO Cc1c[nH+]c(CN2CC(=O)NCC2(C)C)n1C ZINC000342846417 352873256 /nfs/dbraw/zinc/87/32/56/352873256.db2.gz MVMCQSTUUKZXJB-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334227572 352844576 /nfs/dbraw/zinc/84/45/76/352844576.db2.gz GBKAVWBSVKPZGV-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334227572 352844577 /nfs/dbraw/zinc/84/45/77/352844577.db2.gz GBKAVWBSVKPZGV-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334227566 352844776 /nfs/dbraw/zinc/84/47/76/352844776.db2.gz GBKAVWBSVKPZGV-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334227566 352844781 /nfs/dbraw/zinc/84/47/81/352844781.db2.gz GBKAVWBSVKPZGV-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO Cn1cc(C[N@H+](C)[C@@H]2CCCNC2=O)cn1 ZINC000334271459 352908409 /nfs/dbraw/zinc/90/84/09/352908409.db2.gz VCUPZMFQBLUIOP-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@@H]2CCCNC2=O)cn1 ZINC000334271459 352908411 /nfs/dbraw/zinc/90/84/11/352908411.db2.gz VCUPZMFQBLUIOP-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412092654 191258693 /nfs/dbraw/zinc/25/86/93/191258693.db2.gz QPIOLZJEQHAWNN-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412092654 191258694 /nfs/dbraw/zinc/25/86/94/191258694.db2.gz QPIOLZJEQHAWNN-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO COc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)ccn1 ZINC000342865411 352882727 /nfs/dbraw/zinc/88/27/27/352882727.db2.gz UZJUHBJGPZQCJH-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)ccn1 ZINC000342865411 352882729 /nfs/dbraw/zinc/88/27/29/352882729.db2.gz UZJUHBJGPZQCJH-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338868 352973453 /nfs/dbraw/zinc/97/34/53/352973453.db2.gz ZOPIUSQAYLAGPG-DTWKUNHWSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000334338868 352973456 /nfs/dbraw/zinc/97/34/56/352973456.db2.gz ZOPIUSQAYLAGPG-DTWKUNHWSA-N 1 2 232.349 0.503 20 0 BCADLO CC(C)[NH+]1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000334354571 352990341 /nfs/dbraw/zinc/99/03/41/352990341.db2.gz ZTHCSHWCJAUHBW-UHFFFAOYSA-N 1 2 246.376 0.752 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]1CF ZINC000334319457 352950425 /nfs/dbraw/zinc/95/04/25/352950425.db2.gz UFLNIKVWZFJRHZ-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]1CF ZINC000334319457 352950426 /nfs/dbraw/zinc/95/04/26/352950426.db2.gz UFLNIKVWZFJRHZ-MNOVXSKESA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000334362994 353015096 /nfs/dbraw/zinc/01/50/96/353015096.db2.gz LDIBHHNLQXHXFP-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000334362994 353015099 /nfs/dbraw/zinc/01/50/99/353015099.db2.gz LDIBHHNLQXHXFP-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCC2)C1 ZINC000334396546 353069394 /nfs/dbraw/zinc/06/93/94/353069394.db2.gz CCTSUGIQHLPFKU-SNVBAGLBSA-N 1 2 200.257 0.653 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000334396546 353069395 /nfs/dbraw/zinc/06/93/95/353069395.db2.gz CCTSUGIQHLPFKU-SNVBAGLBSA-N 1 2 200.257 0.653 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334381911 353047926 /nfs/dbraw/zinc/04/79/26/353047926.db2.gz FXPSSBQHTMXOHM-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334414126 353096636 /nfs/dbraw/zinc/09/66/36/353096636.db2.gz MFRQOANEWXFGHR-KWQFWETISA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000334414126 353096639 /nfs/dbraw/zinc/09/66/39/353096639.db2.gz MFRQOANEWXFGHR-KWQFWETISA-N 1 2 245.298 0.655 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)c1ccn(C)n1 ZINC000358437029 188067157 /nfs/dbraw/zinc/06/71/57/188067157.db2.gz AGBHUAOZULYRFH-UHFFFAOYSA-N 1 2 233.275 0.670 20 0 BCADLO C[C@](O)(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000359020480 188068345 /nfs/dbraw/zinc/06/83/45/188068345.db2.gz QIPXHHQTELBQGJ-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1nc(N(CCO)[C@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000360270044 188069742 /nfs/dbraw/zinc/06/97/42/188069742.db2.gz YZMLWMYQJCBNAU-KOLCDFICSA-N 1 2 237.303 0.761 20 0 BCADLO CC(C)[N@H+](Cc1nnnn1C)[C@H]1CCOC1 ZINC000361426470 188070941 /nfs/dbraw/zinc/07/09/41/188070941.db2.gz OALNEPSENOHJBB-VIFPVBQESA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)[N@@H+](Cc1nnnn1C)[C@H]1CCOC1 ZINC000361426470 188070943 /nfs/dbraw/zinc/07/09/43/188070943.db2.gz OALNEPSENOHJBB-VIFPVBQESA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368394302 188073175 /nfs/dbraw/zinc/07/31/75/188073175.db2.gz UMDFUGKLZWEUNV-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368394302 188073176 /nfs/dbraw/zinc/07/31/76/188073176.db2.gz UMDFUGKLZWEUNV-RKDXNWHRSA-N 1 2 223.263 0.705 20 0 BCADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@@H]1CO ZINC000372507015 188075578 /nfs/dbraw/zinc/07/55/78/188075578.db2.gz QJOWXBANDGTQQY-MRVPVSSYSA-N 1 2 231.246 0.622 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000375802632 188077232 /nfs/dbraw/zinc/07/72/32/188077232.db2.gz VKFZIONAECVBEZ-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000375802632 188077235 /nfs/dbraw/zinc/07/72/35/188077235.db2.gz VKFZIONAECVBEZ-NEPJUHHUSA-N 1 2 227.304 0.845 20 0 BCADLO O=C(NCCF)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000376507884 188077653 /nfs/dbraw/zinc/07/76/53/188077653.db2.gz YFRCZCQLYFZOHP-NSHDSACASA-N 1 2 244.310 0.716 20 0 BCADLO O=C(NCCF)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000376507884 188077655 /nfs/dbraw/zinc/07/76/55/188077655.db2.gz YFRCZCQLYFZOHP-NSHDSACASA-N 1 2 244.310 0.716 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000305819659 188078751 /nfs/dbraw/zinc/07/87/51/188078751.db2.gz PZAMRZYWFBZIOD-SECBINFHSA-N 1 2 237.303 0.648 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CCCOC2 ZINC000329346960 538108936 /nfs/dbraw/zinc/10/89/36/538108936.db2.gz VJNDAYPCDHKNQP-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CCCOC2 ZINC000329346960 538108937 /nfs/dbraw/zinc/10/89/37/538108937.db2.gz VJNDAYPCDHKNQP-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO CO[C@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336759153 353169032 /nfs/dbraw/zinc/16/90/32/353169032.db2.gz ISZHZEUSNYGRRY-SFYZADRCSA-N 1 2 226.280 0.558 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)C[C@@H]1CCCO1 ZINC000330416030 353171561 /nfs/dbraw/zinc/17/15/61/353171561.db2.gz BXZFVIOVTZAHEW-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@H+](Cc1nnnn1C)C[C@@H]1CCCO1 ZINC000330416030 353171564 /nfs/dbraw/zinc/17/15/64/353171564.db2.gz BXZFVIOVTZAHEW-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC[C@@H](OC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330544810 353174643 /nfs/dbraw/zinc/17/46/43/353174643.db2.gz JUMNQIZNSAVPKB-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO c1snnc1C[NH2+]CCN1CC=CCC1 ZINC000279617185 188095773 /nfs/dbraw/zinc/09/57/73/188095773.db2.gz ALMBIUUIHGTQSZ-UHFFFAOYSA-N 1 2 224.333 0.890 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330621044 353177001 /nfs/dbraw/zinc/17/70/01/353177001.db2.gz LKPBTAHRULBWCL-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330621044 353177003 /nfs/dbraw/zinc/17/70/03/353177003.db2.gz LKPBTAHRULBWCL-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1nnnc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341227748 180873636 /nfs/dbraw/zinc/87/36/36/180873636.db2.gz KQMZGBQXODOUMF-LLVKDONJSA-N 1 2 247.302 0.423 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000188515370 353196128 /nfs/dbraw/zinc/19/61/28/353196128.db2.gz CRAGCCAZZJVQLO-GUBZILKMSA-N 1 2 249.376 0.888 20 0 BCADLO CCN1CCN(CC(N)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331009514 353212133 /nfs/dbraw/zinc/21/21/33/353212133.db2.gz VAZCKYZGMXBMKO-SECBINFHSA-N 1 2 237.307 0.624 20 0 BCADLO CC(C)[C@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000152700955 188157871 /nfs/dbraw/zinc/15/78/71/188157871.db2.gz OLZFWADOCQEYPC-SNVBAGLBSA-N 1 2 240.307 0.199 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC000330667668 188158795 /nfs/dbraw/zinc/15/87/95/188158795.db2.gz BVGUMDZCPOTJEM-JTQLQIEISA-N 1 2 225.292 0.264 20 0 BCADLO Cn1cncc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000176986986 188165025 /nfs/dbraw/zinc/16/50/25/188165025.db2.gz RXOFRZHEOABEGE-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cncc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000176986986 188165027 /nfs/dbraw/zinc/16/50/27/188165027.db2.gz RXOFRZHEOABEGE-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCCO ZINC000134545659 538112824 /nfs/dbraw/zinc/11/28/24/538112824.db2.gz BPMFFJMPBPIFGD-MRVPVSSYSA-N 1 2 213.281 0.378 20 0 BCADLO O=C1N=NC(C[N@@H+]2CC[C@]3(CCOC3)C2)S1 ZINC000365286383 188179923 /nfs/dbraw/zinc/17/99/23/188179923.db2.gz DHMHECQDCJSKFO-JTQLQIEISA-N 1 2 241.316 0.856 20 0 BCADLO O=C1N=NC(C[N@H+]2CC[C@]3(CCOC3)C2)S1 ZINC000365286383 188179924 /nfs/dbraw/zinc/17/99/24/188179924.db2.gz DHMHECQDCJSKFO-JTQLQIEISA-N 1 2 241.316 0.856 20 0 BCADLO CC(C)COCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000336668731 188181271 /nfs/dbraw/zinc/18/12/71/188181271.db2.gz RMNZGFXXSZNXDP-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)COCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000336668731 188181273 /nfs/dbraw/zinc/18/12/73/188181273.db2.gz RMNZGFXXSZNXDP-LLVKDONJSA-N 1 2 249.376 0.778 20 0 BCADLO C([C@@H]1COCCO1)[NH+]1CCN(C2CCC2)CC1 ZINC000336682217 188182240 /nfs/dbraw/zinc/18/22/40/188182240.db2.gz DAFYUHNACMGWOO-CYBMUJFWSA-N 1 2 240.347 0.572 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593226 188190022 /nfs/dbraw/zinc/19/00/22/188190022.db2.gz PSGXMHCQQHZKHZ-JQWIXIFHSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593226 188190023 /nfs/dbraw/zinc/19/00/23/188190023.db2.gz PSGXMHCQQHZKHZ-JQWIXIFHSA-N 1 2 246.326 0.553 20 0 BCADLO COC[C@H](CCO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134569139 538113401 /nfs/dbraw/zinc/11/34/01/538113401.db2.gz HAMBWKILDUFFAK-SCZZXKLOSA-N 1 2 227.308 0.766 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+](CCO)CCCO ZINC000275798723 188201663 /nfs/dbraw/zinc/20/16/63/188201663.db2.gz ZTXGGZOHNURCCJ-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+](CCO)CCCO ZINC000275798723 188201665 /nfs/dbraw/zinc/20/16/65/188201665.db2.gz ZTXGGZOHNURCCJ-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO CC(C)[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000276513083 188201893 /nfs/dbraw/zinc/20/18/93/188201893.db2.gz BJXJHKLGHDKYIL-HMDXOVGESA-N 1 2 236.275 0.049 20 0 BCADLO CC1(O)C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000084356169 538113792 /nfs/dbraw/zinc/11/37/92/538113792.db2.gz VVNIGGBIAFGTNK-UHFFFAOYSA-N 1 2 220.272 0.352 20 0 BCADLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)nn1 ZINC000283698331 188207668 /nfs/dbraw/zinc/20/76/68/188207668.db2.gz XZVLOGDZRHXNAU-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)nn1 ZINC000283698331 188207670 /nfs/dbraw/zinc/20/76/70/188207670.db2.gz XZVLOGDZRHXNAU-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000251708624 353287285 /nfs/dbraw/zinc/28/72/85/353287285.db2.gz KIIPBBDJQBSFCY-MNOVXSKESA-N 1 2 244.335 0.247 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000251708624 353287286 /nfs/dbraw/zinc/28/72/86/353287286.db2.gz KIIPBBDJQBSFCY-MNOVXSKESA-N 1 2 244.335 0.247 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336363952 188228773 /nfs/dbraw/zinc/22/87/73/188228773.db2.gz FEAUTQPPRZONJH-QMMMGPOBSA-N 1 2 237.303 0.717 20 0 BCADLO CC(C)(CO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336363952 188228775 /nfs/dbraw/zinc/22/87/75/188228775.db2.gz FEAUTQPPRZONJH-QMMMGPOBSA-N 1 2 237.303 0.717 20 0 BCADLO CCC[C@@H](C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046879 353337772 /nfs/dbraw/zinc/33/77/72/353337772.db2.gz DWVPTJJEMAGPPB-VIFPVBQESA-N 1 2 240.307 0.614 20 0 BCADLO CCC[C@@H](C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046879 353337774 /nfs/dbraw/zinc/33/77/74/353337774.db2.gz DWVPTJJEMAGPPB-VIFPVBQESA-N 1 2 240.307 0.614 20 0 BCADLO CS[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000343284116 353351841 /nfs/dbraw/zinc/35/18/41/353351841.db2.gz FKCPGVGFFALZJN-SSDOTTSWSA-N 1 2 213.306 0.788 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]1C ZINC000334509495 353419911 /nfs/dbraw/zinc/41/99/11/353419911.db2.gz CDWNYGWHVDOHGV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]1C ZINC000334509495 353419912 /nfs/dbraw/zinc/41/99/12/353419912.db2.gz CDWNYGWHVDOHGV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]1C ZINC000334509494 353419995 /nfs/dbraw/zinc/41/99/95/353419995.db2.gz CDWNYGWHVDOHGV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]1C ZINC000334509494 353419998 /nfs/dbraw/zinc/41/99/98/353419998.db2.gz CDWNYGWHVDOHGV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000092281150 353423372 /nfs/dbraw/zinc/42/33/72/353423372.db2.gz HSNVAKAPJRUZPD-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO CCc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000085511608 538117056 /nfs/dbraw/zinc/11/70/56/538117056.db2.gz BYDUAYQTAOJIBL-SECBINFHSA-N 1 2 238.291 0.241 20 0 BCADLO CCc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000085511608 538117057 /nfs/dbraw/zinc/11/70/57/538117057.db2.gz BYDUAYQTAOJIBL-SECBINFHSA-N 1 2 238.291 0.241 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCN1 ZINC000655481534 538117189 /nfs/dbraw/zinc/11/71/89/538117189.db2.gz DETOQOZNHBDFFF-JTQLQIEISA-N 1 2 234.303 0.573 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000639090897 353451475 /nfs/dbraw/zinc/45/14/75/353451475.db2.gz OKMZXNBNKSNTGL-QMMMGPOBSA-N 1 2 247.345 0.006 20 0 BCADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000639090897 353451478 /nfs/dbraw/zinc/45/14/78/353451478.db2.gz OKMZXNBNKSNTGL-QMMMGPOBSA-N 1 2 247.345 0.006 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)n1C ZINC000093332759 353481119 /nfs/dbraw/zinc/48/11/19/353481119.db2.gz VDSHDHDFBINLBU-VHSXEESVSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)n1C ZINC000093332759 353481121 /nfs/dbraw/zinc/48/11/21/353481121.db2.gz VDSHDHDFBINLBU-VHSXEESVSA-N 1 2 238.335 0.580 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000639096243 353489649 /nfs/dbraw/zinc/48/96/49/353489649.db2.gz CAZAOBRVIAMTNE-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000639096243 353489651 /nfs/dbraw/zinc/48/96/51/353489651.db2.gz CAZAOBRVIAMTNE-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CC[C@H](NCc1c[nH+]c(N)nc1N)C(F)(F)F ZINC000639094072 353477809 /nfs/dbraw/zinc/47/78/09/353477809.db2.gz CCTAHNDKDXSDJS-LURJTMIESA-N 1 2 249.240 0.732 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000584344566 353480046 /nfs/dbraw/zinc/48/00/46/353480046.db2.gz CPNVYJLSZYTDOZ-IONNQARKSA-N 1 2 209.249 0.625 20 0 BCADLO CCCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000343305040 353516047 /nfs/dbraw/zinc/51/60/47/353516047.db2.gz MDEPPTLPOBUTPG-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000343305040 353516050 /nfs/dbraw/zinc/51/60/50/353516050.db2.gz MDEPPTLPOBUTPG-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511799 353519863 /nfs/dbraw/zinc/51/98/63/353519863.db2.gz ZWMTZRYARKZOAZ-VHSXEESVSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511799 353519866 /nfs/dbraw/zinc/51/98/66/353519866.db2.gz ZWMTZRYARKZOAZ-VHSXEESVSA-N 1 2 249.314 0.748 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000193103324 353574896 /nfs/dbraw/zinc/57/48/96/353574896.db2.gz BMUFCJIHMRGSLL-MFAVDMRSSA-N 1 2 242.319 0.585 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)C(=O)OC)C1 ZINC000192858630 353571108 /nfs/dbraw/zinc/57/11/08/353571108.db2.gz VRFRXMCAUVHKQA-UWVGGRQHSA-N 1 2 242.319 0.539 20 0 BCADLO CCONC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000366816724 353625819 /nfs/dbraw/zinc/62/58/19/353625819.db2.gz UZSZSDPVCPKSLX-SECBINFHSA-N 1 2 238.291 0.871 20 0 BCADLO O=S1CCN(CCCn2cc[nH+]c2)CC1 ZINC000343315461 353641700 /nfs/dbraw/zinc/64/17/00/353641700.db2.gz QLQIZPWDBXVYMS-UHFFFAOYSA-N 1 2 227.333 0.338 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000193972429 353607359 /nfs/dbraw/zinc/60/73/59/353607359.db2.gz GLKNEZKXANUQJN-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000193972429 353607361 /nfs/dbraw/zinc/60/73/61/353607361.db2.gz GLKNEZKXANUQJN-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOCCOC ZINC000152552685 324181096 /nfs/dbraw/zinc/18/10/96/324181096.db2.gz TVZMTUMRZWANEG-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCCOC ZINC000152552685 324181101 /nfs/dbraw/zinc/18/11/01/324181101.db2.gz TVZMTUMRZWANEG-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000577911715 366100887 /nfs/dbraw/zinc/10/08/87/366100887.db2.gz CHDGKVLHMRKWIA-UWVGGRQHSA-N 1 2 237.303 0.813 20 0 BCADLO O=C(c1cn[nH]n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000194703036 353687323 /nfs/dbraw/zinc/68/73/23/353687323.db2.gz FBBRHFXOLGZKQA-VIFPVBQESA-N 1 2 246.274 0.895 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC[C@H](O)C1 ZINC000232327862 353711331 /nfs/dbraw/zinc/71/13/31/353711331.db2.gz RHLUFZGYKNMVMT-BDAKNGLRSA-N 1 2 247.302 0.936 20 0 BCADLO COCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343328283 353727132 /nfs/dbraw/zinc/72/71/32/353727132.db2.gz CXKMXQKGCOHZHW-UHFFFAOYSA-N 1 2 246.270 0.911 20 0 BCADLO CN(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000195462390 353762032 /nfs/dbraw/zinc/76/20/32/353762032.db2.gz NJGWLFIDUYSDFD-UHFFFAOYSA-N 1 2 208.265 0.687 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000227146103 491055401 /nfs/dbraw/zinc/05/54/01/491055401.db2.gz YROCWKMQWCSDME-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000227146103 491055402 /nfs/dbraw/zinc/05/54/02/491055402.db2.gz YROCWKMQWCSDME-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CC(=O)C1(C(=O)NCC[NH+]2CCC2)CC1 ZINC000343436381 353886199 /nfs/dbraw/zinc/88/61/99/353886199.db2.gz AKVXWMUEEQEYDE-UHFFFAOYSA-N 1 2 210.277 0.178 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000343542016 353917220 /nfs/dbraw/zinc/91/72/20/353917220.db2.gz TYBWEIZWNPFKGA-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CC[C@@H](OC)C2)n1 ZINC000343542016 353917222 /nfs/dbraw/zinc/91/72/22/353917222.db2.gz TYBWEIZWNPFKGA-RKDXNWHRSA-N 1 2 241.291 0.998 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000343592053 353941874 /nfs/dbraw/zinc/94/18/74/353941874.db2.gz RZGMJQJDNODAPO-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000343592053 353941877 /nfs/dbraw/zinc/94/18/77/353941877.db2.gz RZGMJQJDNODAPO-ZJUUUORDSA-N 1 2 243.351 0.358 20 0 BCADLO COc1cncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000343740351 353969339 /nfs/dbraw/zinc/96/93/39/353969339.db2.gz FPEBTYMHPZPGSP-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1cncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000343740351 353969341 /nfs/dbraw/zinc/96/93/41/353969341.db2.gz FPEBTYMHPZPGSP-QWRGUYRKSA-N 1 2 240.278 0.995 20 0 BCADLO COc1cncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000343740326 353969543 /nfs/dbraw/zinc/96/95/43/353969543.db2.gz FPEBTYMHPZPGSP-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO COc1cncc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000343740326 353969546 /nfs/dbraw/zinc/96/95/46/353969546.db2.gz FPEBTYMHPZPGSP-MNOVXSKESA-N 1 2 240.278 0.995 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCS(C)(=O)=O ZINC000343719507 353957987 /nfs/dbraw/zinc/95/79/87/353957987.db2.gz IKCDAFYFTPBSEO-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCS(C)(=O)=O ZINC000343719507 353957989 /nfs/dbraw/zinc/95/79/89/353957989.db2.gz IKCDAFYFTPBSEO-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCCC1=O ZINC000343720604 353959065 /nfs/dbraw/zinc/95/90/65/353959065.db2.gz SVTRJSBXNHNHFR-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCCC1=O ZINC000343720604 353959066 /nfs/dbraw/zinc/95/90/66/353959066.db2.gz SVTRJSBXNHNHFR-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H](C)OC ZINC000343858669 354024432 /nfs/dbraw/zinc/02/44/32/354024432.db2.gz BKWPRBGJWYUARM-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H](C)OC ZINC000343858669 354024434 /nfs/dbraw/zinc/02/44/34/354024434.db2.gz BKWPRBGJWYUARM-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CC(C)(C)[C@H](O)C[N@@H+]1CCn2ncnc2C1 ZINC000343876362 354029965 /nfs/dbraw/zinc/02/99/65/354029965.db2.gz YWCOINQLMKHZRC-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO CC(C)(C)[C@H](O)C[N@H+]1CCn2ncnc2C1 ZINC000343876362 354029968 /nfs/dbraw/zinc/02/99/68/354029968.db2.gz YWCOINQLMKHZRC-SECBINFHSA-N 1 2 224.308 0.501 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000343947716 354068766 /nfs/dbraw/zinc/06/87/66/354068766.db2.gz VGAQWQOTQNIEPV-OIBJUYFYSA-N 1 2 237.246 0.640 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@H]1C(F)F ZINC000343947716 354068769 /nfs/dbraw/zinc/06/87/69/354068769.db2.gz VGAQWQOTQNIEPV-OIBJUYFYSA-N 1 2 237.246 0.640 20 0 BCADLO COc1cncc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000343954350 354071777 /nfs/dbraw/zinc/07/17/77/354071777.db2.gz GWSCUAGMIOROGQ-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cncc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000343954350 354071780 /nfs/dbraw/zinc/07/17/80/354071780.db2.gz GWSCUAGMIOROGQ-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO C/C=C(\C)C(=O)NCC[NH+]1CCOCC1 ZINC000267536251 188552060 /nfs/dbraw/zinc/55/20/60/188552060.db2.gz VSOOKMSNWLGSGA-XCVCLJGOSA-N 1 2 212.293 0.401 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000074190121 354051939 /nfs/dbraw/zinc/05/19/39/354051939.db2.gz XNVGOZQXFVPOKH-AOOOYVTPSA-N 1 2 207.277 0.998 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000074190123 354051942 /nfs/dbraw/zinc/05/19/42/354051942.db2.gz XNVGOZQXFVPOKH-UWVGGRQHSA-N 1 2 207.277 0.998 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059470 354128826 /nfs/dbraw/zinc/12/88/26/354128826.db2.gz LFKPPSYFBHGRDW-BDAKNGLRSA-N 1 2 240.307 0.725 20 0 BCADLO COC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344059470 354128831 /nfs/dbraw/zinc/12/88/31/354128831.db2.gz LFKPPSYFBHGRDW-BDAKNGLRSA-N 1 2 240.307 0.725 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccsc2Cl)C[C@@H]1O ZINC000334571275 354098897 /nfs/dbraw/zinc/09/88/97/354098897.db2.gz JPFXMSJGPSWOGK-OCAPTIKFSA-N 1 2 233.720 0.939 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccsc2Cl)C[C@@H]1O ZINC000334571275 354098900 /nfs/dbraw/zinc/09/89/00/354098900.db2.gz JPFXMSJGPSWOGK-OCAPTIKFSA-N 1 2 233.720 0.939 20 0 BCADLO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000230651324 363315777 /nfs/dbraw/zinc/31/57/77/363315777.db2.gz MKXQLNPGHKJIET-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO CCC(=O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000344052488 354124077 /nfs/dbraw/zinc/12/40/77/354124077.db2.gz GVDNGQTWTIIVCQ-VIFPVBQESA-N 1 2 235.287 0.541 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000344052487 354124300 /nfs/dbraw/zinc/12/43/00/354124300.db2.gz GVDNGQTWTIIVCQ-SECBINFHSA-N 1 2 235.287 0.541 20 0 BCADLO CC(C)n1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000344117268 354142382 /nfs/dbraw/zinc/14/23/82/354142382.db2.gz BFYAENXTTMYTNY-UHFFFAOYSA-N 1 2 247.258 0.634 20 0 BCADLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127257 354146334 /nfs/dbraw/zinc/14/63/34/354146334.db2.gz JIJNENVVQXERSX-SFYZADRCSA-N 1 2 226.280 0.103 20 0 BCADLO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000344127257 354146337 /nfs/dbraw/zinc/14/63/37/354146337.db2.gz JIJNENVVQXERSX-SFYZADRCSA-N 1 2 226.280 0.103 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344129999 354147613 /nfs/dbraw/zinc/14/76/13/354147613.db2.gz MIHBJJIVXXLGCP-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344129999 354147616 /nfs/dbraw/zinc/14/76/16/354147616.db2.gz MIHBJJIVXXLGCP-MNOVXSKESA-N 1 2 238.335 0.891 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000344191063 354179155 /nfs/dbraw/zinc/17/91/55/354179155.db2.gz HJSMRVGOFDEYDK-ZETCQYMHSA-N 1 2 225.248 0.020 20 0 BCADLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ncnn1C ZINC000344189570 354179249 /nfs/dbraw/zinc/17/92/49/354179249.db2.gz XFRZHODDIYLZCH-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ncnn1C ZINC000344189570 354179251 /nfs/dbraw/zinc/17/92/51/354179251.db2.gz XFRZHODDIYLZCH-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344262353 354193313 /nfs/dbraw/zinc/19/33/13/354193313.db2.gz RAVYVHBSLLFPKD-KCJUWKMLSA-N 1 2 237.303 0.808 20 0 BCADLO CC[C@H](OC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344262353 354193317 /nfs/dbraw/zinc/19/33/17/354193317.db2.gz RAVYVHBSLLFPKD-KCJUWKMLSA-N 1 2 237.303 0.808 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2CCCCO2)CC1=O ZINC000334589663 354217547 /nfs/dbraw/zinc/21/75/47/354217547.db2.gz JTGOFVQENYAZLS-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2CCCCO2)CC1=O ZINC000334589663 354217551 /nfs/dbraw/zinc/21/75/51/354217551.db2.gz JTGOFVQENYAZLS-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCOCC(F)F)C1CC1 ZINC000231674152 363347348 /nfs/dbraw/zinc/34/73/48/363347348.db2.gz OZLRLAUAZGKNHM-VIFPVBQESA-N 1 2 237.246 0.809 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)NCC2CC2)cn1 ZINC000027215481 363352641 /nfs/dbraw/zinc/35/26/41/363352641.db2.gz QLZKPMLRGKZEFT-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)NCC2CC2)cn1 ZINC000027215481 363352646 /nfs/dbraw/zinc/35/26/46/363352646.db2.gz QLZKPMLRGKZEFT-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO CC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000344362457 354242591 /nfs/dbraw/zinc/24/25/91/354242591.db2.gz CPVDAZOWSXGTGG-QMMMGPOBSA-N 1 2 211.265 0.148 20 0 BCADLO CC[C@H](O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000344362457 354242593 /nfs/dbraw/zinc/24/25/93/354242593.db2.gz CPVDAZOWSXGTGG-QMMMGPOBSA-N 1 2 211.265 0.148 20 0 BCADLO CNC(=O)NC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000529642575 324369431 /nfs/dbraw/zinc/36/94/31/324369431.db2.gz GUMGANIJAQBGKD-VIFPVBQESA-N 1 2 245.298 0.118 20 0 BCADLO C[C@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCO[C@@H]1C1CC1 ZINC000344336619 354232198 /nfs/dbraw/zinc/23/21/98/354232198.db2.gz MUKMMLSXMSTPEC-KOLCDFICSA-N 1 2 238.291 0.558 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334610338 354292779 /nfs/dbraw/zinc/29/27/79/354292779.db2.gz OVLBRUZLXJJSGO-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334610338 354292783 /nfs/dbraw/zinc/29/27/83/354292783.db2.gz OVLBRUZLXJJSGO-QMMMGPOBSA-N 1 2 245.286 0.729 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000334615349 354301639 /nfs/dbraw/zinc/30/16/39/354301639.db2.gz VJDXWMUGLZSRGL-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1COCCN1C ZINC000344746485 354349318 /nfs/dbraw/zinc/34/93/18/354349318.db2.gz KITLCFCYMGFZOU-LLVKDONJSA-N 1 2 235.287 0.081 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000334624903 354364305 /nfs/dbraw/zinc/36/43/05/354364305.db2.gz PMEUBYCLLZXMEG-NSHDSACASA-N 1 2 245.298 0.656 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000334624903 354364306 /nfs/dbraw/zinc/36/43/06/354364306.db2.gz PMEUBYCLLZXMEG-NSHDSACASA-N 1 2 245.298 0.656 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000334644383 354402060 /nfs/dbraw/zinc/40/20/60/354402060.db2.gz IIPJDKXIBAJREE-SECBINFHSA-N 1 2 237.303 0.730 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000334644383 354402061 /nfs/dbraw/zinc/40/20/61/354402061.db2.gz IIPJDKXIBAJREE-SECBINFHSA-N 1 2 237.303 0.730 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C1CC1 ZINC000334668640 354408566 /nfs/dbraw/zinc/40/85/66/354408566.db2.gz BXKYMJFIZLAVNE-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1C1CC1 ZINC000334668640 354408569 /nfs/dbraw/zinc/40/85/69/354408569.db2.gz BXKYMJFIZLAVNE-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000334683735 354429733 /nfs/dbraw/zinc/42/97/33/354429733.db2.gz QMYOCHYLCQQTBV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000334683735 354429736 /nfs/dbraw/zinc/42/97/36/354429736.db2.gz QMYOCHYLCQQTBV-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334803696 354559703 /nfs/dbraw/zinc/55/97/03/354559703.db2.gz LWUUKRCQAOLJFL-SSDOTTSWSA-N 1 2 226.198 0.911 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334803696 354559704 /nfs/dbraw/zinc/55/97/04/354559704.db2.gz LWUUKRCQAOLJFL-SSDOTTSWSA-N 1 2 226.198 0.911 20 0 BCADLO O=C(C[N@H+]1CC[C@H](F)C1)NC(=O)NC1CC1 ZINC000334813533 354570410 /nfs/dbraw/zinc/57/04/10/354570410.db2.gz UICQSCBECLZGJI-ZETCQYMHSA-N 1 2 229.255 0.018 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC(=O)NC1CC1 ZINC000334813533 354570412 /nfs/dbraw/zinc/57/04/12/354570412.db2.gz UICQSCBECLZGJI-ZETCQYMHSA-N 1 2 229.255 0.018 20 0 BCADLO CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000335081650 354645172 /nfs/dbraw/zinc/64/51/72/354645172.db2.gz RELJLCHREINVAN-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000335081650 354645176 /nfs/dbraw/zinc/64/51/76/354645176.db2.gz RELJLCHREINVAN-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO COC[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345381651 354646240 /nfs/dbraw/zinc/64/62/40/354646240.db2.gz OEJUJLOLKMCERO-HTQZYQBOSA-N 1 2 236.262 0.382 20 0 BCADLO CC(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345394741 354648579 /nfs/dbraw/zinc/64/85/79/354648579.db2.gz VDZCEBVDQGCVNZ-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345403219 354650704 /nfs/dbraw/zinc/65/07/04/354650704.db2.gz DQOHMTFHGDALMC-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345416895 354652810 /nfs/dbraw/zinc/65/28/10/354652810.db2.gz QIBRQCZUKAGZJH-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO Cc1nn(C)cc1C(=O)Nc1cc[nH+]cc1O ZINC000345374687 354656510 /nfs/dbraw/zinc/65/65/10/354656510.db2.gz KZAKFHSVKIDZLX-UHFFFAOYSA-N 1 2 232.243 0.503 20 0 BCADLO C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CCC[N@@H+]1C ZINC000345321749 354610028 /nfs/dbraw/zinc/61/00/28/354610028.db2.gz ORFQFBYKAWFXNO-JGVFFNPUSA-N 1 2 223.280 0.017 20 0 BCADLO C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CCC[N@H+]1C ZINC000345321749 354610030 /nfs/dbraw/zinc/61/00/30/354610030.db2.gz ORFQFBYKAWFXNO-JGVFFNPUSA-N 1 2 223.280 0.017 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1ccc[nH]1 ZINC000345579500 354702996 /nfs/dbraw/zinc/70/29/96/354702996.db2.gz ASJSOWUIIZIVLD-UHFFFAOYSA-N 1 2 218.260 0.918 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1cccnc1 ZINC000345609207 354729584 /nfs/dbraw/zinc/72/95/84/354729584.db2.gz IAQPLWPCCQMAIW-UHFFFAOYSA-N 1 2 241.316 0.066 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345770147 354757589 /nfs/dbraw/zinc/75/75/89/354757589.db2.gz WCFZAHLTIMCOBM-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000345770147 354757591 /nfs/dbraw/zinc/75/75/91/354757591.db2.gz WCFZAHLTIMCOBM-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000335122474 354761669 /nfs/dbraw/zinc/76/16/69/354761669.db2.gz FMDSOAKMLSYELW-IUCAKERBSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000335122474 354761673 /nfs/dbraw/zinc/76/16/73/354761673.db2.gz FMDSOAKMLSYELW-IUCAKERBSA-N 1 2 236.319 0.883 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nccs1 ZINC000335134032 354781782 /nfs/dbraw/zinc/78/17/82/354781782.db2.gz CBKOHFVTGMYLJM-BDAKNGLRSA-N 1 2 237.328 0.996 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nccs1 ZINC000335134032 354781785 /nfs/dbraw/zinc/78/17/85/354781785.db2.gz CBKOHFVTGMYLJM-BDAKNGLRSA-N 1 2 237.328 0.996 20 0 BCADLO Cc1cc(CC(=O)NCCCn2cc[nH+]c2)no1 ZINC000345663523 354740078 /nfs/dbraw/zinc/74/00/78/354740078.db2.gz LGNDIRXDWGYFOU-UHFFFAOYSA-N 1 2 248.286 0.929 20 0 BCADLO C[C@@]1(CCCO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000345956705 354820079 /nfs/dbraw/zinc/82/00/79/354820079.db2.gz LWJFGJLVVAIXNA-NSHDSACASA-N 1 2 240.307 0.637 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nc(CCOC)no1 ZINC000345882127 354796062 /nfs/dbraw/zinc/79/60/62/354796062.db2.gz IGCUKZVHPMZODF-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nc(CCOC)no1 ZINC000345882127 354796066 /nfs/dbraw/zinc/79/60/66/354796066.db2.gz IGCUKZVHPMZODF-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000345885785 354797623 /nfs/dbraw/zinc/79/76/23/354797623.db2.gz RGIPLXARRQZUHS-GUBZILKMSA-N 1 2 242.319 0.442 20 0 BCADLO CCc1cnc(C[N@H+](CCO)CCCO)s1 ZINC000346145220 354870665 /nfs/dbraw/zinc/87/06/65/354870665.db2.gz CVMMZGVJDNPPSV-UHFFFAOYSA-N 1 2 244.360 0.882 20 0 BCADLO CCc1cnc(C[N@@H+](CCO)CCCO)s1 ZINC000346145220 354870666 /nfs/dbraw/zinc/87/06/66/354870666.db2.gz CVMMZGVJDNPPSV-UHFFFAOYSA-N 1 2 244.360 0.882 20 0 BCADLO CCOC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000233658584 363405146 /nfs/dbraw/zinc/40/51/46/363405146.db2.gz BYAFIBGIEDFQFP-PSASIEDQSA-N 1 2 201.266 0.707 20 0 BCADLO CC(C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335163177 354917283 /nfs/dbraw/zinc/91/72/83/354917283.db2.gz BYHIVRKWBJSAEJ-MRVPVSSYSA-N 1 2 222.292 0.975 20 0 BCADLO CC(C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335163177 354917289 /nfs/dbraw/zinc/91/72/89/354917289.db2.gz BYHIVRKWBJSAEJ-MRVPVSSYSA-N 1 2 222.292 0.975 20 0 BCADLO O=C(NC[C@@H]1CCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346332863 354899036 /nfs/dbraw/zinc/89/90/36/354899036.db2.gz NGWMLBNMEIYQHQ-UWVGGRQHSA-N 1 2 249.314 0.982 20 0 BCADLO O=C(NC[C@@H]1CCOC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000346332863 354899038 /nfs/dbraw/zinc/89/90/38/354899038.db2.gz NGWMLBNMEIYQHQ-UWVGGRQHSA-N 1 2 249.314 0.982 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC(F)C1 ZINC000335173657 354940096 /nfs/dbraw/zinc/94/00/96/354940096.db2.gz YNMMMFQLLFLPFO-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CC(F)C1 ZINC000335173657 354940100 /nfs/dbraw/zinc/94/01/00/354940100.db2.gz YNMMMFQLLFLPFO-VIFPVBQESA-N 1 2 245.298 0.070 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000346443998 354940516 /nfs/dbraw/zinc/94/05/16/354940516.db2.gz AXIVRNNIHJSOIL-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000346443998 354940520 /nfs/dbraw/zinc/94/05/20/354940520.db2.gz AXIVRNNIHJSOIL-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO O=C(NCC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335163451 354949180 /nfs/dbraw/zinc/94/91/80/354949180.db2.gz WFFUEYPCJNLFPB-SECBINFHSA-N 1 2 234.303 0.976 20 0 BCADLO O=C(NCC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335163451 354949184 /nfs/dbraw/zinc/94/91/84/354949184.db2.gz WFFUEYPCJNLFPB-SECBINFHSA-N 1 2 234.303 0.976 20 0 BCADLO CC(C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000346463322 354953462 /nfs/dbraw/zinc/95/34/62/354953462.db2.gz PYWBJWUXIPPRQD-NSHDSACASA-N 1 2 227.352 0.395 20 0 BCADLO CC(C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000346463322 354953465 /nfs/dbraw/zinc/95/34/65/354953465.db2.gz PYWBJWUXIPPRQD-NSHDSACASA-N 1 2 227.352 0.395 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)sn1 ZINC000639223827 354954326 /nfs/dbraw/zinc/95/43/26/354954326.db2.gz ULIKMJCCHZAJCK-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H](O)C2)sn1 ZINC000639223827 354954327 /nfs/dbraw/zinc/95/43/27/354954327.db2.gz ULIKMJCCHZAJCK-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO COC(C)(C)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000346548563 354983733 /nfs/dbraw/zinc/98/37/33/354983733.db2.gz BMOCQBPSHONPEF-UHFFFAOYSA-N 1 2 240.307 0.614 20 0 BCADLO COC(C)(C)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000346548563 354983738 /nfs/dbraw/zinc/98/37/38/354983738.db2.gz BMOCQBPSHONPEF-UHFFFAOYSA-N 1 2 240.307 0.614 20 0 BCADLO COC(C)(C)CC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000346548563 354983741 /nfs/dbraw/zinc/98/37/41/354983741.db2.gz BMOCQBPSHONPEF-UHFFFAOYSA-N 1 2 240.307 0.614 20 0 BCADLO COC(C)(C)CC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000346548563 354983747 /nfs/dbraw/zinc/98/37/47/354983747.db2.gz BMOCQBPSHONPEF-UHFFFAOYSA-N 1 2 240.307 0.614 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000346605530 354991010 /nfs/dbraw/zinc/99/10/10/354991010.db2.gz BAJYFACHCKMOFM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000346605530 354991012 /nfs/dbraw/zinc/99/10/12/354991012.db2.gz BAJYFACHCKMOFM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000346655914 355004084 /nfs/dbraw/zinc/00/40/84/355004084.db2.gz KCWHUGGLWRZMSA-HTQZYQBOSA-N 1 2 209.249 0.454 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346678847 355010070 /nfs/dbraw/zinc/01/00/70/355010070.db2.gz VBXKDQNWRLAROT-POYBYMJQSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346678847 355010072 /nfs/dbraw/zinc/01/00/72/355010072.db2.gz VBXKDQNWRLAROT-POYBYMJQSA-N 1 2 241.209 0.547 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213534 355050852 /nfs/dbraw/zinc/05/08/52/355050852.db2.gz CRXJOUNGRKLQSD-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213534 355050853 /nfs/dbraw/zinc/05/08/53/355050853.db2.gz CRXJOUNGRKLQSD-UWVGGRQHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2(C)CC2)CC[N@H+]1C ZINC000335213538 355050861 /nfs/dbraw/zinc/05/08/61/355050861.db2.gz CRXJOUNGRKLQSD-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2(C)CC2)CC[N@@H+]1C ZINC000335213538 355050863 /nfs/dbraw/zinc/05/08/63/355050863.db2.gz CRXJOUNGRKLQSD-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H]1CC(C)(C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000335222023 355062728 /nfs/dbraw/zinc/06/27/28/355062728.db2.gz GUGIWKNUVBVUJC-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CC(C)(C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000335222023 355062729 /nfs/dbraw/zinc/06/27/29/355062729.db2.gz GUGIWKNUVBVUJC-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CO ZINC000335232409 355093213 /nfs/dbraw/zinc/09/32/13/355093213.db2.gz LKXFHVSKOXTJSO-UHFFFAOYSA-N 1 2 223.276 0.170 20 0 BCADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000335247008 355162448 /nfs/dbraw/zinc/16/24/48/355162448.db2.gz UVVVZBPUVFUNIB-JQWIXIFHSA-N 1 2 226.320 0.969 20 0 BCADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000335247008 355162452 /nfs/dbraw/zinc/16/24/52/355162452.db2.gz UVVVZBPUVFUNIB-JQWIXIFHSA-N 1 2 226.320 0.969 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CO ZINC000346838324 355132536 /nfs/dbraw/zinc/13/25/36/355132536.db2.gz WYBWGVUABDBENP-SSDOTTSWSA-N 1 2 211.265 0.005 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)CO ZINC000346838324 355132541 /nfs/dbraw/zinc/13/25/41/355132541.db2.gz WYBWGVUABDBENP-SSDOTTSWSA-N 1 2 211.265 0.005 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@H]1CCNC1=O ZINC000346973390 355208225 /nfs/dbraw/zinc/20/82/25/355208225.db2.gz DMSZCMZSVDTUNV-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000346973390 355208228 /nfs/dbraw/zinc/20/82/28/355208228.db2.gz DMSZCMZSVDTUNV-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO C[C@H]1C[N@H+](Cc2c[nH]c3ncncc23)CC(=O)N1 ZINC000639232024 355213922 /nfs/dbraw/zinc/21/39/22/355213922.db2.gz YSXYKVGHCFNIFT-QMMMGPOBSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CC(=O)N1 ZINC000639232024 355213925 /nfs/dbraw/zinc/21/39/25/355213925.db2.gz YSXYKVGHCFNIFT-QMMMGPOBSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1cccn1 ZINC000346961645 355170675 /nfs/dbraw/zinc/17/06/75/355170675.db2.gz INXTYGYFURRQQQ-UVWXRNBGSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1cccn1 ZINC000346961645 355170678 /nfs/dbraw/zinc/17/06/78/355170678.db2.gz INXTYGYFURRQQQ-UVWXRNBGSA-N 1 2 241.360 0.724 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CCC[C@H]2CCO2)C1 ZINC000639233754 355216423 /nfs/dbraw/zinc/21/64/23/355216423.db2.gz RKGIVAJHKDVPPV-JTQLQIEISA-N 1 2 247.360 0.674 20 0 BCADLO COc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000639233047 355214860 /nfs/dbraw/zinc/21/48/60/355214860.db2.gz UMLLSWJEBCDRBP-MRVPVSSYSA-N 1 2 241.316 0.601 20 0 BCADLO COc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000639233047 355214865 /nfs/dbraw/zinc/21/48/65/355214865.db2.gz UMLLSWJEBCDRBP-MRVPVSSYSA-N 1 2 241.316 0.601 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000346995281 355193631 /nfs/dbraw/zinc/19/36/31/355193631.db2.gz XCSRCOXAOYBKLZ-UWVGGRQHSA-N 1 2 224.308 0.844 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCOC[C@@H](C)C1 ZINC000346995281 355193634 /nfs/dbraw/zinc/19/36/34/355193634.db2.gz XCSRCOXAOYBKLZ-UWVGGRQHSA-N 1 2 224.308 0.844 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347632982 355242183 /nfs/dbraw/zinc/24/21/83/355242183.db2.gz SJYJVQDFXKOEIQ-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347632982 355242184 /nfs/dbraw/zinc/24/21/84/355242184.db2.gz SJYJVQDFXKOEIQ-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO COCC[N@H+](CC[C@@H](C)F)CC(=O)OC ZINC000352015423 134035680 /nfs/dbraw/zinc/03/56/80/134035680.db2.gz QLCRVUWBSRXNHF-SECBINFHSA-N 1 2 221.272 0.856 20 0 BCADLO COCC[N@@H+](CC[C@@H](C)F)CC(=O)OC ZINC000352015423 134035681 /nfs/dbraw/zinc/03/56/81/134035681.db2.gz QLCRVUWBSRXNHF-SECBINFHSA-N 1 2 221.272 0.856 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000639234689 355219282 /nfs/dbraw/zinc/21/92/82/355219282.db2.gz LCXBGKNDWXPETK-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000639234689 355219285 /nfs/dbraw/zinc/21/92/85/355219285.db2.gz LCXBGKNDWXPETK-NXEZZACHSA-N 1 2 224.308 0.814 20 0 BCADLO CNC(=O)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413039759 191354850 /nfs/dbraw/zinc/35/48/50/191354850.db2.gz SRMDXYKEBBCCGM-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO CNC(=O)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413039759 191354853 /nfs/dbraw/zinc/35/48/53/191354853.db2.gz SRMDXYKEBBCCGM-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO C[C@H](C(=O)N(C)[C@@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000335289331 355261222 /nfs/dbraw/zinc/26/12/22/355261222.db2.gz ARLULHNGTSOWKH-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1cc(N2CCO[C@@H](CF)C2)nc[nH+]1 ZINC000413479225 191386995 /nfs/dbraw/zinc/38/69/95/191386995.db2.gz SJTZBXWDAATYPQ-VIFPVBQESA-N 1 2 211.240 0.960 20 0 BCADLO COC[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413266343 191367561 /nfs/dbraw/zinc/36/75/61/191367561.db2.gz LWYBWOPCGCWEHU-VIFPVBQESA-N 1 2 238.291 0.470 20 0 BCADLO COC[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413266343 191367562 /nfs/dbraw/zinc/36/75/62/191367562.db2.gz LWYBWOPCGCWEHU-VIFPVBQESA-N 1 2 238.291 0.470 20 0 BCADLO CC1(O)C[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000639253401 355290094 /nfs/dbraw/zinc/29/00/94/355290094.db2.gz FJOGIQDRQRSGQO-UHFFFAOYSA-N 1 2 244.241 0.810 20 0 BCADLO Cc1cc(C)n2c(C[NH+]3CC(C)(O)C3)cnc2n1 ZINC000639253218 355290206 /nfs/dbraw/zinc/29/02/06/355290206.db2.gz AXBLMCLHYBLRHV-UHFFFAOYSA-N 1 2 246.314 0.913 20 0 BCADLO CC1(O)C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC000639253897 355292656 /nfs/dbraw/zinc/29/26/56/355292656.db2.gz UHOYIPGOMOXIIB-UHFFFAOYSA-N 1 2 218.260 0.476 20 0 BCADLO CNC(=O)C1C[NH+]([C@H](c2nccn2C)C2CC2)C1 ZINC000639265702 355326188 /nfs/dbraw/zinc/32/61/88/355326188.db2.gz IZZKLTSVVHUKPK-NSHDSACASA-N 1 2 248.330 0.549 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cnc(OC)s2)C1 ZINC000639269020 355330545 /nfs/dbraw/zinc/33/05/45/355330545.db2.gz ZANFCCNBTZGVAO-UHFFFAOYSA-N 1 2 241.316 0.330 20 0 BCADLO CCC1C[NH+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000639248556 355279316 /nfs/dbraw/zinc/27/93/16/355279316.db2.gz JQSRRSNRUKFMDS-UHFFFAOYSA-N 1 2 244.316 0.769 20 0 BCADLO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349242305 355374909 /nfs/dbraw/zinc/37/49/09/355374909.db2.gz OTKIHPPCUGELMP-ZETCQYMHSA-N 1 2 240.263 0.171 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[S@@]1=O ZINC000335753523 355392793 /nfs/dbraw/zinc/39/27/93/355392793.db2.gz KOCUGEANGAYJBB-WRBXQSRGSA-N 1 2 241.360 0.761 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757683 355393881 /nfs/dbraw/zinc/39/38/81/355393881.db2.gz JKIFYDJOSGJCFB-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000335757683 355393886 /nfs/dbraw/zinc/39/38/86/355393886.db2.gz JKIFYDJOSGJCFB-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275628 355352267 /nfs/dbraw/zinc/35/22/67/355352267.db2.gz UXKNSKRNCASRPT-MWLCHTKSSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275628 355352271 /nfs/dbraw/zinc/35/22/71/355352271.db2.gz UXKNSKRNCASRPT-MWLCHTKSSA-N 1 2 238.287 0.369 20 0 BCADLO COc1ccc[nH+]c1NC[C@@H]1CCC(=O)N1 ZINC000160239770 355358437 /nfs/dbraw/zinc/35/84/37/355358437.db2.gz HUFFDZHCTTYWEC-QMMMGPOBSA-N 1 2 221.260 0.781 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639289001 355407443 /nfs/dbraw/zinc/40/74/43/355407443.db2.gz VJTHWYZWGSRWBM-KOLCDFICSA-N 1 2 248.330 0.991 20 0 BCADLO Nc1nc(N)c(CN2CCCC(F)(F)C2)c[nH+]1 ZINC000639290150 355448373 /nfs/dbraw/zinc/44/83/73/355448373.db2.gz RLFHWXORURDYAQ-UHFFFAOYSA-N 1 2 243.261 0.533 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)NCc1[nH+]ccn1C ZINC000349734412 355425659 /nfs/dbraw/zinc/42/56/59/355425659.db2.gz LYYKPJVGHIQAKM-RKDXNWHRSA-N 1 2 238.291 0.085 20 0 BCADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)O)CCC2 ZINC000335784591 355433017 /nfs/dbraw/zinc/43/30/17/355433017.db2.gz JXGFSMWCBIKCHO-ZJUUUORDSA-N 1 2 237.303 0.566 20 0 BCADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)O)CCC2 ZINC000335784590 355433282 /nfs/dbraw/zinc/43/32/82/355433282.db2.gz JXGFSMWCBIKCHO-VHSXEESVSA-N 1 2 237.303 0.566 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000335786582 355436471 /nfs/dbraw/zinc/43/64/71/355436471.db2.gz DOINCMJRARKFPA-GFCCVEGCSA-N 1 2 246.314 0.790 20 0 BCADLO C=Cn1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000335786582 355436475 /nfs/dbraw/zinc/43/64/75/355436475.db2.gz DOINCMJRARKFPA-GFCCVEGCSA-N 1 2 246.314 0.790 20 0 BCADLO CC[C@@H]1C[NH+](CC(N)=O)C[C@@H](CC)O1 ZINC000398609663 355395036 /nfs/dbraw/zinc/39/50/36/355395036.db2.gz YFTZHUPXVLEKNJ-RKDXNWHRSA-N 1 2 200.282 0.361 20 0 BCADLO Cc1cn2c([nH+]1)[C@H](CNS(C)(=O)=O)CCC2 ZINC000335795772 355451720 /nfs/dbraw/zinc/45/17/20/355451720.db2.gz YXNUKMGUTFXHNV-VIFPVBQESA-N 1 2 243.332 0.618 20 0 BCADLO CC[NH+]1CCN(C(=O)c2c[nH]cc(C)c2=O)CC1 ZINC000349803993 355465891 /nfs/dbraw/zinc/46/58/91/355465891.db2.gz TTYKCLIKOJUSTN-UHFFFAOYSA-N 1 2 249.314 0.461 20 0 BCADLO CN(CC(N)=O)Cc1c[nH+]c2ccccn12 ZINC000349820921 355470270 /nfs/dbraw/zinc/47/02/70/355470270.db2.gz ZHZAMGBNXYAGKH-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000349820921 355470273 /nfs/dbraw/zinc/47/02/73/355470273.db2.gz ZHZAMGBNXYAGKH-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000349820921 355470276 /nfs/dbraw/zinc/47/02/76/355470276.db2.gz ZHZAMGBNXYAGKH-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC000335815884 355505051 /nfs/dbraw/zinc/50/50/51/355505051.db2.gz BTPKSXCBDLBWDN-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC000335815884 355505054 /nfs/dbraw/zinc/50/50/54/355505054.db2.gz BTPKSXCBDLBWDN-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CCN1CCN(Cc2c[nH+]cn2C)[C@H](C)C1=O ZINC000335809529 355483212 /nfs/dbraw/zinc/48/32/12/355483212.db2.gz HWAKZEASSYZVAU-SNVBAGLBSA-N 1 2 236.319 0.473 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCC2)[C@H]1C ZINC000335815885 355505311 /nfs/dbraw/zinc/50/53/11/355505311.db2.gz BTPKSXCBDLBWDN-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCC2)[C@H]1C ZINC000335815885 355505316 /nfs/dbraw/zinc/50/53/16/355505316.db2.gz BTPKSXCBDLBWDN-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000335827610 355553571 /nfs/dbraw/zinc/55/35/71/355553571.db2.gz RIWCZUMPMCBIEO-SECBINFHSA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccoc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000335827610 355553573 /nfs/dbraw/zinc/55/35/73/355553573.db2.gz RIWCZUMPMCBIEO-SECBINFHSA-N 1 2 249.270 0.324 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccnc1 ZINC000335816515 355506986 /nfs/dbraw/zinc/50/69/86/355506986.db2.gz OBGWOWJEBCVVGX-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccnc1 ZINC000335816515 355506987 /nfs/dbraw/zinc/50/69/87/355506987.db2.gz OBGWOWJEBCVVGX-MNOVXSKESA-N 1 2 210.252 0.986 20 0 BCADLO CC(C)OCC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000349877511 355515634 /nfs/dbraw/zinc/51/56/34/355515634.db2.gz HZMTYPFEMTXAKN-LLVKDONJSA-N 1 2 249.376 0.227 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COC(F)F ZINC000349888356 355519479 /nfs/dbraw/zinc/51/94/79/355519479.db2.gz GVQSHRXSYXIKDM-SSDOTTSWSA-N 1 2 233.218 0.627 20 0 BCADLO CO[C@@](C)(C[N@@H+]1CCn2nncc2C1)C1CC1 ZINC000639295564 355583291 /nfs/dbraw/zinc/58/32/91/355583291.db2.gz KKRDYIZBGRLXCJ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@](C)(C[N@H+]1CCn2nncc2C1)C1CC1 ZINC000639295564 355583294 /nfs/dbraw/zinc/58/32/94/355583294.db2.gz KKRDYIZBGRLXCJ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC2(C1)CCCOC2 ZINC000335844072 355588261 /nfs/dbraw/zinc/58/82/61/355588261.db2.gz NKMIOSCSCZRNQO-UHFFFAOYSA-N 1 2 249.314 0.912 20 0 BCADLO CC[C@@](C)(C[N@@H+]1CCn2nncc2C1)OC ZINC000639297238 355602536 /nfs/dbraw/zinc/60/25/36/355602536.db2.gz QCGAUAGGULJIGO-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@@](C)(C[N@H+]1CCn2nncc2C1)OC ZINC000639297238 355602538 /nfs/dbraw/zinc/60/25/38/355602538.db2.gz QCGAUAGGULJIGO-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CC[NH+](CC)Cc1nc([C@H](C)NC(N)=O)no1 ZINC000350516003 355716080 /nfs/dbraw/zinc/71/60/80/355716080.db2.gz IKGJGPOVITYEOI-ZETCQYMHSA-N 1 2 241.295 0.641 20 0 BCADLO COc1cc(C[NH2+]Cc2ccn(C)n2)on1 ZINC000639324017 355718187 /nfs/dbraw/zinc/71/81/87/355718187.db2.gz IWBLMXLHDNBFJC-UHFFFAOYSA-N 1 2 222.248 0.707 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000330612055 181205700 /nfs/dbraw/zinc/20/57/00/181205700.db2.gz QRFZNHWHXSDXFY-SNVBAGLBSA-N 1 2 221.260 0.818 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000330612055 181205704 /nfs/dbraw/zinc/20/57/04/181205704.db2.gz QRFZNHWHXSDXFY-SNVBAGLBSA-N 1 2 221.260 0.818 20 0 BCADLO CC[C@](C)(O)CNC(=O)CCCn1cc[nH+]c1 ZINC000608478391 355773088 /nfs/dbraw/zinc/77/30/88/355773088.db2.gz ZXRCJKAAIHCVBW-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)C1(F)F ZINC000336019371 134054049 /nfs/dbraw/zinc/05/40/49/134054049.db2.gz PHRWAJLALQRBTQ-RKDXNWHRSA-N 1 2 248.273 0.024 20 0 BCADLO CNC(=O)CN(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639333166 355761557 /nfs/dbraw/zinc/76/15/57/355761557.db2.gz UDIJYRKJKNKGRH-LLVKDONJSA-N 1 2 236.319 0.549 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639333953 355764400 /nfs/dbraw/zinc/76/44/00/355764400.db2.gz MSUOXZHZPWJTBM-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639333953 355764403 /nfs/dbraw/zinc/76/44/03/355764403.db2.gz MSUOXZHZPWJTBM-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO CCc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639338422 355779201 /nfs/dbraw/zinc/77/92/01/355779201.db2.gz ZWKDMNPRVIQINA-LLVKDONJSA-N 1 2 238.331 0.950 20 0 BCADLO CCc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639338422 355779202 /nfs/dbraw/zinc/77/92/02/355779202.db2.gz ZWKDMNPRVIQINA-LLVKDONJSA-N 1 2 238.331 0.950 20 0 BCADLO Cn1cc(CCC[NH2+]Cc2cn[nH]n2)cn1 ZINC000639340901 355783049 /nfs/dbraw/zinc/78/30/49/355783049.db2.gz IQYABNZRNQWXOM-UHFFFAOYSA-N 1 2 220.280 0.261 20 0 BCADLO CO[C@](C)(C[NH2+]Cc1c[nH]nn1)C1CC1 ZINC000639342547 355784671 /nfs/dbraw/zinc/78/46/71/355784671.db2.gz XWFHJSGRYUTQBG-SNVBAGLBSA-N 1 2 210.281 0.709 20 0 BCADLO CO[C@](C)(C[NH2+]Cc1cn[nH]n1)C1CC1 ZINC000639342547 355784675 /nfs/dbraw/zinc/78/46/75/355784675.db2.gz XWFHJSGRYUTQBG-SNVBAGLBSA-N 1 2 210.281 0.709 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1cc(C)on1 ZINC000639362556 355817761 /nfs/dbraw/zinc/81/77/61/355817761.db2.gz MNMVBUBSNQOIFA-JTQLQIEISA-N 1 2 214.265 0.470 20 0 BCADLO Cc1cc(NCC2(CO)CC2)c(C#N)c[nH+]1 ZINC000399195580 355837448 /nfs/dbraw/zinc/83/74/48/355837448.db2.gz RXSOMSAMDQPWCK-UHFFFAOYSA-N 1 2 217.272 0.868 20 0 BCADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336039839 134061066 /nfs/dbraw/zinc/06/10/66/134061066.db2.gz QNBQVEAVOJAEHY-PWSUYJOCSA-N 1 2 238.331 0.766 20 0 BCADLO COC[C@H](CC(C)C)[NH2+]Cc1c[nH]nn1 ZINC000628363465 355848291 /nfs/dbraw/zinc/84/82/91/355848291.db2.gz LNZDATPDVKSZMI-VIFPVBQESA-N 1 2 212.297 0.955 20 0 BCADLO COC[C@H](CC(C)C)[NH2+]Cc1cn[nH]n1 ZINC000628363465 355848294 /nfs/dbraw/zinc/84/82/94/355848294.db2.gz LNZDATPDVKSZMI-VIFPVBQESA-N 1 2 212.297 0.955 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccnn1 ZINC000623254320 355852895 /nfs/dbraw/zinc/85/28/95/355852895.db2.gz XZWIQPZEOBFOFB-QMMMGPOBSA-N 1 2 229.243 0.028 20 0 BCADLO CCn1cnc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623254530 355855213 /nfs/dbraw/zinc/85/52/13/355855213.db2.gz HAPRXKZFJHOSSM-SECBINFHSA-N 1 2 245.286 0.454 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ncccc1F ZINC000623254816 355855956 /nfs/dbraw/zinc/85/59/56/355855956.db2.gz ZNXNKDNSWRCFKE-MRVPVSSYSA-N 1 2 246.245 0.772 20 0 BCADLO Cc1nccnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254649 355856067 /nfs/dbraw/zinc/85/60/67/355856067.db2.gz OOZIWRZWWABONE-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623255182 355856561 /nfs/dbraw/zinc/85/65/61/355856561.db2.gz SCXOHUWNNVKORT-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1(F)F ZINC000623255763 355862071 /nfs/dbraw/zinc/86/20/71/355862071.db2.gz UAKHVSROJJXGBI-GMSGAONNSA-N 1 2 241.241 0.969 20 0 BCADLO Cc1[nH]c(CN(C)[C@@]2(CO)CCOC2)[nH+]c1C ZINC000628368038 355862739 /nfs/dbraw/zinc/86/27/39/355862739.db2.gz INLHYDYDUKNEOH-GFCCVEGCSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CCOC2)[nH]c1C ZINC000628368038 355862741 /nfs/dbraw/zinc/86/27/41/355862741.db2.gz INLHYDYDUKNEOH-GFCCVEGCSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CCOC2)[nH]c1C ZINC000628368038 355862743 /nfs/dbraw/zinc/86/27/43/355862743.db2.gz INLHYDYDUKNEOH-GFCCVEGCSA-N 1 2 239.319 0.610 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368896 355865173 /nfs/dbraw/zinc/86/51/73/355865173.db2.gz FIGFZUAGTYHQCA-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368896 355865175 /nfs/dbraw/zinc/86/51/75/355865175.db2.gz FIGFZUAGTYHQCA-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO CC1([NH2+]Cc2cn(C3CCC3)nn2)COC1 ZINC000639380376 355917303 /nfs/dbraw/zinc/91/73/03/355917303.db2.gz DWCHYEKONKIIPO-UHFFFAOYSA-N 1 2 222.292 0.882 20 0 BCADLO OCC[NH+](CCO)Cc1ccc(F)c(F)c1F ZINC000628370613 355883540 /nfs/dbraw/zinc/88/35/40/355883540.db2.gz ONFXSUBBFIGDJJ-UHFFFAOYSA-N 1 2 249.232 0.891 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CCC3)C[C@H]21 ZINC000336051163 134064512 /nfs/dbraw/zinc/06/45/12/134064512.db2.gz MHYZDPZSOREEHC-MNOVXSKESA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NC3CCC3)C[C@H]21 ZINC000336051163 134064513 /nfs/dbraw/zinc/06/45/13/134064513.db2.gz MHYZDPZSOREEHC-MNOVXSKESA-N 1 2 239.319 0.263 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351403123 355985170 /nfs/dbraw/zinc/98/51/70/355985170.db2.gz XDCNFUVGYHAAQG-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000351403123 355985171 /nfs/dbraw/zinc/98/51/71/355985171.db2.gz XDCNFUVGYHAAQG-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO CCn1cc(CC[NH+]2CCS(=O)CC2)cn1 ZINC000351490211 356000180 /nfs/dbraw/zinc/00/01/80/356000180.db2.gz FELQONWSHSSZDW-UHFFFAOYSA-N 1 2 241.360 0.510 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000351149909 355955140 /nfs/dbraw/zinc/95/51/40/355955140.db2.gz UWQHNJJWXUGLJJ-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000351149909 355955141 /nfs/dbraw/zinc/95/51/41/355955141.db2.gz UWQHNJJWXUGLJJ-NSHDSACASA-N 1 2 226.320 0.622 20 0 BCADLO CC[C@@](C)(CO)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256497 355959908 /nfs/dbraw/zinc/95/99/08/355959908.db2.gz MYIMOEPKNAEDOK-SKDRFNHKSA-N 1 2 237.303 0.333 20 0 BCADLO CCC[C@H](OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257274 356035810 /nfs/dbraw/zinc/03/58/10/356035810.db2.gz IVNICGLJTPWYTN-KOLCDFICSA-N 1 2 237.303 0.739 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(C)o1 ZINC000184651994 491086669 /nfs/dbraw/zinc/08/66/69/491086669.db2.gz OLZMFNWUBFDMCS-DTWKUNHWSA-N 1 2 226.276 0.739 20 0 BCADLO CC[N@H+](CCCO)Cc1noc(CCOC)n1 ZINC000351527347 356009399 /nfs/dbraw/zinc/00/93/99/356009399.db2.gz ZTDMXWQEPDRKDD-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CC[N@@H+](CCCO)Cc1noc(CCOC)n1 ZINC000351527347 356009402 /nfs/dbraw/zinc/00/94/02/356009402.db2.gz ZTDMXWQEPDRKDD-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO NC(=O)C[NH+](CCCC1CCCC1)CC(N)=O ZINC000031463117 181229463 /nfs/dbraw/zinc/22/94/63/181229463.db2.gz BEVSFDQGOLEOQY-UHFFFAOYSA-N 1 2 241.335 0.229 20 0 BCADLO Cc1nnc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000623257595 356027491 /nfs/dbraw/zinc/02/74/91/356027491.db2.gz PCIAFONSTBRDKK-ZETCQYMHSA-N 1 2 249.299 0.398 20 0 BCADLO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260414 356119299 /nfs/dbraw/zinc/11/92/99/356119299.db2.gz CRLVVIALNHUCHM-CKYFFXLPSA-N 1 2 249.314 0.597 20 0 BCADLO COCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623259299 356082946 /nfs/dbraw/zinc/08/29/46/356082946.db2.gz XWUAFNKZPDLORX-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO COCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623259300 356083013 /nfs/dbraw/zinc/08/30/13/356083013.db2.gz XWUAFNKZPDLORX-SNVBAGLBSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCOCC1 ZINC000623259544 356089774 /nfs/dbraw/zinc/08/97/74/356089774.db2.gz DIDUDRCKZFTFMZ-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCOCC1 ZINC000623259546 356089829 /nfs/dbraw/zinc/08/98/29/356089829.db2.gz DIDUDRCKZFTFMZ-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CC[C@@](C)(OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259690 356091137 /nfs/dbraw/zinc/09/11/37/356091137.db2.gz IJLLQONGYVIYIJ-BXKDBHETSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccn1C ZINC000623260162 356097404 /nfs/dbraw/zinc/09/74/04/356097404.db2.gz WXDNOUCAXPBFOV-JTQLQIEISA-N 1 2 244.298 0.885 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000335917562 356159764 /nfs/dbraw/zinc/15/97/64/356159764.db2.gz ZPYUWGOVPJBYAV-JTQLQIEISA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000335917562 356159766 /nfs/dbraw/zinc/15/97/66/356159766.db2.gz ZPYUWGOVPJBYAV-JTQLQIEISA-N 1 2 202.273 0.945 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1(CO)CC1 ZINC000617896119 356161098 /nfs/dbraw/zinc/16/10/98/356161098.db2.gz KHORAXSBURLKLY-SNVBAGLBSA-N 1 2 240.347 0.605 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@]12CCOC2 ZINC000623262035 356161725 /nfs/dbraw/zinc/16/17/25/356161725.db2.gz LPFUHXWEIJCRJJ-CDMKHQONSA-N 1 2 247.298 0.351 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000623262442 356170384 /nfs/dbraw/zinc/17/03/84/356170384.db2.gz BRBJKAFVYGNTRI-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1CC1 ZINC000336095997 134080212 /nfs/dbraw/zinc/08/02/12/134080212.db2.gz KVDNOMVGSRTUNV-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1CC1 ZINC000336095997 134080213 /nfs/dbraw/zinc/08/02/13/134080213.db2.gz KVDNOMVGSRTUNV-VIFPVBQESA-N 1 2 226.320 0.764 20 0 BCADLO CCN1CCC[N@@H+]([C@H]2CCCNC2=O)CC1=O ZINC000329898711 356141342 /nfs/dbraw/zinc/14/13/42/356141342.db2.gz FACNWHPPMAXRLY-JTQLQIEISA-N 1 2 239.319 0.660 20 0 BCADLO CCN1CCC[N@H+]([C@H]2CCCNC2=O)CC1=O ZINC000329898711 356141343 /nfs/dbraw/zinc/14/13/43/356141343.db2.gz FACNWHPPMAXRLY-JTQLQIEISA-N 1 2 239.319 0.660 20 0 BCADLO CCN1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1=O ZINC000329898713 356141684 /nfs/dbraw/zinc/14/16/84/356141684.db2.gz FACNWHPPMAXRLY-SNVBAGLBSA-N 1 2 239.319 0.660 20 0 BCADLO CCN1CCC[N@H+]([C@@H]2CCCNC2=O)CC1=O ZINC000329898713 356141688 /nfs/dbraw/zinc/14/16/88/356141688.db2.gz FACNWHPPMAXRLY-SNVBAGLBSA-N 1 2 239.319 0.660 20 0 BCADLO Cc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261330 356145747 /nfs/dbraw/zinc/14/57/47/356145747.db2.gz LDPIMVOLKCGSJJ-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccncn1 ZINC000623261560 356148974 /nfs/dbraw/zinc/14/89/74/356148974.db2.gz XCMVEOBOBMEQHZ-MRVPVSSYSA-N 1 2 229.243 0.028 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cnn1 ZINC000623261357 356150785 /nfs/dbraw/zinc/15/07/85/356150785.db2.gz MZDGMJCSXZKZBF-SNVBAGLBSA-N 1 2 243.270 0.336 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000335914917 356152089 /nfs/dbraw/zinc/15/20/89/356152089.db2.gz NXKBIBOJNMULII-AOOOYVTPSA-N 1 2 207.277 0.783 20 0 BCADLO CC1(C)CO[C@H](C[N@@H+]2CCNC(=O)C2)C1 ZINC000639433917 356211113 /nfs/dbraw/zinc/21/11/13/356211113.db2.gz DYRVCPIECSUSGU-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO CC1(C)CO[C@H](C[N@H+]2CCNC(=O)C2)C1 ZINC000639433917 356211116 /nfs/dbraw/zinc/21/11/16/356211116.db2.gz DYRVCPIECSUSGU-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000339377377 181259235 /nfs/dbraw/zinc/25/92/35/181259235.db2.gz LBSLWPMSPVZPHT-UHFFFAOYSA-N 1 2 208.265 0.430 20 0 BCADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623264042 356228486 /nfs/dbraw/zinc/22/84/86/356228486.db2.gz DARMRTGWDCKMOR-SCZZXKLOSA-N 1 2 219.288 0.970 20 0 BCADLO Cc1[nH]ccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264059 356228747 /nfs/dbraw/zinc/22/87/47/356228747.db2.gz DOHAWZRKWGLUME-SECBINFHSA-N 1 2 230.271 0.874 20 0 BCADLO O=C(CCn1cccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264777 356230232 /nfs/dbraw/zinc/23/02/32/356230232.db2.gz UFYOHKVIOBONCF-NSHDSACASA-N 1 2 244.298 0.816 20 0 BCADLO NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152462219 181260347 /nfs/dbraw/zinc/26/03/47/181260347.db2.gz WVNSKMPAPYNMDZ-MRVPVSSYSA-N 1 2 206.249 0.329 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623264661 356236510 /nfs/dbraw/zinc/23/65/10/356236510.db2.gz QAZLESMSSIQZRD-DTWKUNHWSA-N 1 2 237.328 0.677 20 0 BCADLO C[C@](O)(CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263112 356198026 /nfs/dbraw/zinc/19/80/26/356198026.db2.gz CCEKKQOSTYPUPV-GWCFXTLKSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCCO1 ZINC000623263670 356201276 /nfs/dbraw/zinc/20/12/76/356201276.db2.gz TXGJSTGLSNVSNM-MWLCHTKSSA-N 1 2 235.287 0.493 20 0 BCADLO CCCN1CC(=O)N[C@H]1c1c[nH+]cn1CC ZINC000639422764 356206090 /nfs/dbraw/zinc/20/60/90/356206090.db2.gz BCHROOASOVWDSO-LLVKDONJSA-N 1 2 222.292 0.743 20 0 BCADLO CCN1CCC[N@H+](Cc2ccno2)CC1=O ZINC000336053364 356249460 /nfs/dbraw/zinc/24/94/60/356249460.db2.gz MDIUUBCQNLEWGC-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccno2)CC1=O ZINC000336053364 356249464 /nfs/dbraw/zinc/24/94/64/356249464.db2.gz MDIUUBCQNLEWGC-UHFFFAOYSA-N 1 2 223.276 0.729 20 0 BCADLO Cc1ccncc1CCNC(=O)Cn1cc[nH+]c1 ZINC000617651493 356259212 /nfs/dbraw/zinc/25/92/12/356259212.db2.gz WLWNDJWFHWAHBN-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639472991 356264830 /nfs/dbraw/zinc/26/48/30/356264830.db2.gz VLGCILHDOZGZMY-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639472991 356264834 /nfs/dbraw/zinc/26/48/34/356264834.db2.gz VLGCILHDOZGZMY-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1ccncc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264766 356237045 /nfs/dbraw/zinc/23/70/45/356237045.db2.gz SZPDNTJNCIMBPA-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000336119187 134089304 /nfs/dbraw/zinc/08/93/04/134089304.db2.gz JKXRIYQJDNWXAK-NSHDSACASA-N 1 2 247.298 0.801 20 0 BCADLO CN1CC[N@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639495569 356321462 /nfs/dbraw/zinc/32/14/62/356321462.db2.gz RNMJJIUIAROYSJ-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO CN1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639495569 356321464 /nfs/dbraw/zinc/32/14/64/356321464.db2.gz RNMJJIUIAROYSJ-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000623266951 356321609 /nfs/dbraw/zinc/32/16/09/356321609.db2.gz GZDZAOQCRNZJHH-QMMMGPOBSA-N 1 2 231.259 0.269 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC000623266950 356321657 /nfs/dbraw/zinc/32/16/57/356321657.db2.gz GZDZAOQCRNZJHH-MRVPVSSYSA-N 1 2 231.259 0.269 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639499363 356325273 /nfs/dbraw/zinc/32/52/73/356325273.db2.gz IJILSNUIGBACRU-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639499363 356325278 /nfs/dbraw/zinc/32/52/78/356325278.db2.gz IJILSNUIGBACRU-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO CCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623265275 356293096 /nfs/dbraw/zinc/29/30/96/356293096.db2.gz ARIFYAPPTINCBV-JTQLQIEISA-N 1 2 245.286 0.454 20 0 BCADLO CC(=O)C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000639481658 356296459 /nfs/dbraw/zinc/29/64/59/356296459.db2.gz YHOJILJCAUDUNK-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000639487178 356303112 /nfs/dbraw/zinc/30/31/12/356303112.db2.gz XPCKQOMSCYSSDL-LLVKDONJSA-N 1 2 224.304 0.662 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000639487178 356303117 /nfs/dbraw/zinc/30/31/17/356303117.db2.gz XPCKQOMSCYSSDL-LLVKDONJSA-N 1 2 224.304 0.662 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617736991 356303724 /nfs/dbraw/zinc/30/37/24/356303724.db2.gz BMCGSWAFEHFIHB-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617736991 356303725 /nfs/dbraw/zinc/30/37/25/356303725.db2.gz BMCGSWAFEHFIHB-GHMZBOCLSA-N 1 2 228.336 0.868 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000639488750 356305192 /nfs/dbraw/zinc/30/51/92/356305192.db2.gz LPDAUZITIAUQQY-SNVBAGLBSA-N 1 2 210.277 0.318 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000639488750 356305196 /nfs/dbraw/zinc/30/51/96/356305196.db2.gz LPDAUZITIAUQQY-SNVBAGLBSA-N 1 2 210.277 0.318 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc[nH]c1 ZINC000623267286 356318919 /nfs/dbraw/zinc/31/89/19/356318919.db2.gz ONMRSYOTCBRSED-VIFPVBQESA-N 1 2 216.244 0.566 20 0 BCADLO CC[N@H+](Cc1cnc(C)nc1)[C@H]1CCNC1=O ZINC000352408753 356341137 /nfs/dbraw/zinc/34/11/37/356341137.db2.gz WYEUZOHKVZUTNJ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cnc(C)nc1)[C@H]1CCNC1=O ZINC000352408753 356341143 /nfs/dbraw/zinc/34/11/43/356341143.db2.gz WYEUZOHKVZUTNJ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCOCC1 ZINC000623268614 356342387 /nfs/dbraw/zinc/34/23/87/356342387.db2.gz RPXNIJNGBLEFCV-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO Cc1ncc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000639522451 356369029 /nfs/dbraw/zinc/36/90/29/356369029.db2.gz IIUOGNMJVKTNAE-SECBINFHSA-N 1 2 248.286 0.927 20 0 BCADLO CC1(C)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000336489143 356378786 /nfs/dbraw/zinc/37/87/86/356378786.db2.gz TYBUBVPNCGORFM-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000336489143 356378789 /nfs/dbraw/zinc/37/87/89/356378789.db2.gz TYBUBVPNCGORFM-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCO[C@@H](CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271058 356385846 /nfs/dbraw/zinc/38/58/46/356385846.db2.gz RNTYRPMMPQTYLV-ONGXEEELSA-N 1 2 237.303 0.739 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCC(F)(F)F ZINC000358831952 181272516 /nfs/dbraw/zinc/27/25/16/181272516.db2.gz RINGTVDUNPEJKG-LURJTMIESA-N 1 2 242.266 0.842 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1CCC(F)(F)F ZINC000358831952 181272518 /nfs/dbraw/zinc/27/25/18/181272518.db2.gz RINGTVDUNPEJKG-LURJTMIESA-N 1 2 242.266 0.842 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1C ZINC000623272076 356390116 /nfs/dbraw/zinc/39/01/16/356390116.db2.gz OKCJSWADTNUSGM-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000352625917 356391777 /nfs/dbraw/zinc/39/17/77/356391777.db2.gz KOBCIEDTQISUHI-SNVBAGLBSA-N 1 2 249.380 0.255 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000352625917 356391788 /nfs/dbraw/zinc/39/17/88/356391788.db2.gz KOBCIEDTQISUHI-SNVBAGLBSA-N 1 2 249.380 0.255 20 0 BCADLO COCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623272978 356397143 /nfs/dbraw/zinc/39/71/43/356397143.db2.gz GJYDZTLSJJASOU-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623272944 356398014 /nfs/dbraw/zinc/39/80/14/356398014.db2.gz GACUYOFEULSPFX-ONGXEEELSA-N 1 2 235.287 0.493 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623275205 356410230 /nfs/dbraw/zinc/41/02/30/356410230.db2.gz CKLTUVONOWKSSZ-DTWKUNHWSA-N 1 2 207.277 0.970 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639547254 356411050 /nfs/dbraw/zinc/41/10/50/356411050.db2.gz QNLWXCKPALWNRQ-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639547254 356411051 /nfs/dbraw/zinc/41/10/51/356411051.db2.gz QNLWXCKPALWNRQ-QMMMGPOBSA-N 1 2 225.292 0.835 20 0 BCADLO O=C(CCn1cccn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623276072 356413337 /nfs/dbraw/zinc/41/33/37/356413337.db2.gz TYIDQIYBUVVGAO-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc[nH]c1=O ZINC000623276175 356413815 /nfs/dbraw/zinc/41/38/15/356413815.db2.gz WGZKVWDHQKJEMO-MRVPVSSYSA-N 1 2 244.254 0.338 20 0 BCADLO C[C@@H](C(=O)N1CCC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000336145407 134102328 /nfs/dbraw/zinc/10/23/28/134102328.db2.gz SSZIJVRDOGBCML-NEPJUHHUSA-N 1 2 239.363 0.633 20 0 BCADLO O=C(Cc1ccncc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623277225 356418896 /nfs/dbraw/zinc/41/88/96/356418896.db2.gz VUURBPJXAHDTAT-LLVKDONJSA-N 1 2 242.282 0.562 20 0 BCADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1C ZINC000623278413 356427183 /nfs/dbraw/zinc/42/71/83/356427183.db2.gz VRDRVZOZBOMLRW-SNVBAGLBSA-N 1 2 244.298 0.885 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccn[nH]1 ZINC000128723975 324877137 /nfs/dbraw/zinc/87/71/37/324877137.db2.gz SUQMJWQICPQESO-UHFFFAOYSA-N 1 2 205.221 0.105 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352670103 356402126 /nfs/dbraw/zinc/40/21/26/356402126.db2.gz CWPULMGRCBIBEO-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352670103 356402127 /nfs/dbraw/zinc/40/21/27/356402127.db2.gz CWPULMGRCBIBEO-RKDXNWHRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@H]2CCC[C@H]2O)[nH]1 ZINC000352688605 356403987 /nfs/dbraw/zinc/40/39/87/356403987.db2.gz BQRONEPDENZOGK-DTWKUNHWSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@H]2CCC[C@H]2O)[nH]1 ZINC000352688605 356403992 /nfs/dbraw/zinc/40/39/92/356403992.db2.gz BQRONEPDENZOGK-DTWKUNHWSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)[nH]1 ZINC000352688604 356404043 /nfs/dbraw/zinc/40/40/43/356404043.db2.gz BQRONEPDENZOGK-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)[nH]1 ZINC000352688604 356404046 /nfs/dbraw/zinc/40/40/46/356404046.db2.gz BQRONEPDENZOGK-BDAKNGLRSA-N 1 2 224.308 0.712 20 0 BCADLO O=C(CC[C@@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274593 356408606 /nfs/dbraw/zinc/40/86/06/356408606.db2.gz QBTFJNQGAFBWEW-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274127 356409334 /nfs/dbraw/zinc/40/93/34/356409334.db2.gz DWYLOOVYCRYTFF-MRVPVSSYSA-N 1 2 231.259 0.269 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccnc1 ZINC000623281946 356465145 /nfs/dbraw/zinc/46/51/45/356465145.db2.gz HZFVBVWHILGQTK-JTQLQIEISA-N 1 2 228.255 0.633 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(CC3CC3)no2)C[C@H]1O ZINC000639557725 356462032 /nfs/dbraw/zinc/46/20/32/356462032.db2.gz OABZCCYYAQCLCR-PSASIEDQSA-N 1 2 237.303 0.835 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(CC3CC3)no2)C[C@H]1O ZINC000639557725 356462036 /nfs/dbraw/zinc/46/20/36/356462036.db2.gz OABZCCYYAQCLCR-PSASIEDQSA-N 1 2 237.303 0.835 20 0 BCADLO CC[N@@H+](Cc1nc(CCOC)no1)C[C@@H](C)O ZINC000352219035 134108864 /nfs/dbraw/zinc/10/88/64/134108864.db2.gz BGTKEIQOPBXYOQ-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1nc(CCOC)no1)C[C@@H](C)O ZINC000352219035 134108865 /nfs/dbraw/zinc/10/88/65/134108865.db2.gz BGTKEIQOPBXYOQ-SECBINFHSA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)C[C@H](C)O ZINC000352224011 134109989 /nfs/dbraw/zinc/10/99/89/134109989.db2.gz YXTVQCIGQHYVDO-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)C[C@H](C)O ZINC000352224011 134109990 /nfs/dbraw/zinc/10/99/90/134109990.db2.gz YXTVQCIGQHYVDO-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO NC(=O)[C@]1(O)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000285110164 181285243 /nfs/dbraw/zinc/28/52/43/181285243.db2.gz RFEXALCSDHQXJW-LBLVLHIFSA-N 1 2 239.102 0.228 20 0 BCADLO NC(=O)[C@]1(O)CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000285110164 181285245 /nfs/dbraw/zinc/28/52/45/181285245.db2.gz RFEXALCSDHQXJW-LBLVLHIFSA-N 1 2 239.102 0.228 20 0 BCADLO NC(=O)[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000092735782 181283108 /nfs/dbraw/zinc/28/31/08/181283108.db2.gz ABWYHEDBUWIUND-SECBINFHSA-N 1 2 226.301 0.434 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000092735782 181283110 /nfs/dbraw/zinc/28/31/10/181283110.db2.gz ABWYHEDBUWIUND-SECBINFHSA-N 1 2 226.301 0.434 20 0 BCADLO CC[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000193007115 356493246 /nfs/dbraw/zinc/49/32/46/356493246.db2.gz UWAFZOKFFRHNMC-DTWKUNHWSA-N 1 2 225.296 0.257 20 0 BCADLO COC(=O)C1([NH2+]C[C@H](C)O)CCCC1 ZINC000193000418 356493302 /nfs/dbraw/zinc/49/33/02/356493302.db2.gz RJSDEIHLEHMENJ-QMMMGPOBSA-N 1 2 201.266 0.443 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC000179337904 366244960 /nfs/dbraw/zinc/24/49/60/366244960.db2.gz UWZKAGGDPBSMEP-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnn1C ZINC000179337904 366244964 /nfs/dbraw/zinc/24/49/64/366244964.db2.gz UWZKAGGDPBSMEP-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)=O)[C@H]2C1 ZINC000639572767 356496419 /nfs/dbraw/zinc/49/64/19/356496419.db2.gz YEQVZBOGBCGEKG-GRYCIOLGSA-N 1 2 227.304 0.844 20 0 BCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(C)=O)[C@H]2C1 ZINC000639572767 356496422 /nfs/dbraw/zinc/49/64/22/356496422.db2.gz YEQVZBOGBCGEKG-GRYCIOLGSA-N 1 2 227.304 0.844 20 0 BCADLO COCCO[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000179351356 366246550 /nfs/dbraw/zinc/24/65/50/366246550.db2.gz WWVXCVKOHMHOPI-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO COCCO[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000179351356 366246557 /nfs/dbraw/zinc/24/65/57/366246557.db2.gz WWVXCVKOHMHOPI-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@@H+](CC(C)=O)C[C@H](O)C(F)(F)F ZINC000639595427 356514542 /nfs/dbraw/zinc/51/45/42/356514542.db2.gz IGJKTSOHYKHKSP-ZETCQYMHSA-N 1 2 213.199 0.821 20 0 BCADLO CC[N@H+](CC(C)=O)C[C@H](O)C(F)(F)F ZINC000639595427 356514546 /nfs/dbraw/zinc/51/45/46/356514546.db2.gz IGJKTSOHYKHKSP-ZETCQYMHSA-N 1 2 213.199 0.821 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639583172 356506257 /nfs/dbraw/zinc/50/62/57/356506257.db2.gz IVUJIGIKSPLWTR-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639583172 356506261 /nfs/dbraw/zinc/50/62/61/356506261.db2.gz IVUJIGIKSPLWTR-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO C[N@H+](Cc1nc(CC2CC2)no1)C1CC(O)C1 ZINC000639584265 356506998 /nfs/dbraw/zinc/50/69/98/356506998.db2.gz VGFPKZXCURGUIM-UHFFFAOYSA-N 1 2 237.303 0.977 20 0 BCADLO C[N@@H+](Cc1nc(CC2CC2)no1)C1CC(O)C1 ZINC000639584265 356507002 /nfs/dbraw/zinc/50/70/02/356507002.db2.gz VGFPKZXCURGUIM-UHFFFAOYSA-N 1 2 237.303 0.977 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](CO)[C@H](O)C2)[nH+]c1C ZINC000639609841 356528173 /nfs/dbraw/zinc/52/81/73/356528173.db2.gz MJAGCMMIGBJOLY-WDEREUQCSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)[nH]c1C ZINC000639609841 356528177 /nfs/dbraw/zinc/52/81/77/356528177.db2.gz MJAGCMMIGBJOLY-WDEREUQCSA-N 1 2 239.319 0.202 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)[nH]c1C ZINC000639609841 356528183 /nfs/dbraw/zinc/52/81/83/356528183.db2.gz MJAGCMMIGBJOLY-WDEREUQCSA-N 1 2 239.319 0.202 20 0 BCADLO COCCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000336179661 134118045 /nfs/dbraw/zinc/11/80/45/134118045.db2.gz CAGOLLNSHHKTNF-UHFFFAOYSA-N 1 2 224.264 0.055 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639598848 356518369 /nfs/dbraw/zinc/51/83/69/356518369.db2.gz NASFMNVIOCUFAZ-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639598848 356518372 /nfs/dbraw/zinc/51/83/72/356518372.db2.gz NASFMNVIOCUFAZ-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420946171 192275640 /nfs/dbraw/zinc/27/56/40/192275640.db2.gz UDEDUYRYKUTAHG-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420946171 192275643 /nfs/dbraw/zinc/27/56/43/192275643.db2.gz UDEDUYRYKUTAHG-NXEZZACHSA-N 1 2 245.319 0.410 20 0 BCADLO c1cnc(CC[N@@H+]2CCOCC23CC3)cn1 ZINC000639631305 356545681 /nfs/dbraw/zinc/54/56/81/356545681.db2.gz NZUHRMWLQXGKLF-UHFFFAOYSA-N 1 2 219.288 0.884 20 0 BCADLO c1cnc(CC[N@H+]2CCOCC23CC3)cn1 ZINC000639631305 356545684 /nfs/dbraw/zinc/54/56/84/356545684.db2.gz NZUHRMWLQXGKLF-UHFFFAOYSA-N 1 2 219.288 0.884 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000639621359 356541058 /nfs/dbraw/zinc/54/10/58/356541058.db2.gz JTDONNIWGZBIPE-WDEREUQCSA-N 1 2 213.277 0.455 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000639621359 356541065 /nfs/dbraw/zinc/54/10/65/356541065.db2.gz JTDONNIWGZBIPE-WDEREUQCSA-N 1 2 213.277 0.455 20 0 BCADLO Cn1c[nH+]cc1Cc1nc(-c2cnccn2)no1 ZINC000350397862 366275911 /nfs/dbraw/zinc/27/59/11/366275911.db2.gz LITBBBRCKUTUKN-UHFFFAOYSA-N 1 2 242.242 0.851 20 0 BCADLO CCC(F)(F)C[N@H+](CCO)C[C@@H](C)O ZINC000639646979 356553360 /nfs/dbraw/zinc/55/33/60/356553360.db2.gz WONOHQFHZYIASS-MRVPVSSYSA-N 1 2 211.252 0.707 20 0 BCADLO CCC(F)(F)C[N@@H+](CCO)C[C@@H](C)O ZINC000639646979 356553363 /nfs/dbraw/zinc/55/33/63/356553363.db2.gz WONOHQFHZYIASS-MRVPVSSYSA-N 1 2 211.252 0.707 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000449787110 202038898 /nfs/dbraw/zinc/03/88/98/202038898.db2.gz SPOMGNVYIYFJPQ-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000449787110 202038900 /nfs/dbraw/zinc/03/89/00/202038900.db2.gz SPOMGNVYIYFJPQ-CYBMUJFWSA-N 1 2 249.358 0.888 20 0 BCADLO C[C@H](C[N@@H+]1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000336199193 134128004 /nfs/dbraw/zinc/12/80/04/134128004.db2.gz QZQLCLURYBZSJV-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](C[N@H+]1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000336199193 134128005 /nfs/dbraw/zinc/12/80/05/134128005.db2.gz QZQLCLURYBZSJV-BDAKNGLRSA-N 1 2 223.313 0.853 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC1(F)F ZINC000623299245 356556432 /nfs/dbraw/zinc/55/64/32/356556432.db2.gz UNIVVIXUBRBIMX-APPZFPTMSA-N 1 2 241.241 0.969 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nc(C2CCC2)no1 ZINC000639643779 356556604 /nfs/dbraw/zinc/55/66/04/356556604.db2.gz IGOLVOBVXZGGDL-UHFFFAOYSA-N 1 2 238.291 0.644 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nc(C2CCC2)no1 ZINC000639643779 356556606 /nfs/dbraw/zinc/55/66/06/356556606.db2.gz IGOLVOBVXZGGDL-UHFFFAOYSA-N 1 2 238.291 0.644 20 0 BCADLO CC[C@@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000421083857 192312227 /nfs/dbraw/zinc/31/22/27/192312227.db2.gz KGYNZACYKLAJFV-SECBINFHSA-N 1 2 223.276 0.704 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nnc2ccccn21 ZINC000079442424 370663385 /nfs/dbraw/zinc/66/33/85/370663385.db2.gz WYCLYITYEFGQDU-UHFFFAOYSA-N 1 2 248.286 0.724 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000079442424 370663386 /nfs/dbraw/zinc/66/33/86/370663386.db2.gz WYCLYITYEFGQDU-UHFFFAOYSA-N 1 2 248.286 0.724 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)co1 ZINC000623304046 356594734 /nfs/dbraw/zinc/59/47/34/356594734.db2.gz PPJILBSIPYZHCU-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000639673920 356590307 /nfs/dbraw/zinc/59/03/07/356590307.db2.gz IPYYMKFHRKRKHU-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301944 356577864 /nfs/dbraw/zinc/57/78/64/356577864.db2.gz WPGXNIFIOGKTDZ-LLVKDONJSA-N 1 2 249.314 0.741 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639664492 356578744 /nfs/dbraw/zinc/57/87/44/356578744.db2.gz RBHIJRDXTNKNBN-UWVGGRQHSA-N 1 2 247.360 0.530 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000631995774 363502317 /nfs/dbraw/zinc/50/23/17/363502317.db2.gz NIVGNPCXKOYIHC-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1conc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000631995774 363502321 /nfs/dbraw/zinc/50/23/21/363502321.db2.gz NIVGNPCXKOYIHC-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000639666395 356580978 /nfs/dbraw/zinc/58/09/78/356580978.db2.gz QUPWSPAQYCVZAB-HTQZYQBOSA-N 1 2 225.210 0.821 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000639666395 356580983 /nfs/dbraw/zinc/58/09/83/356580983.db2.gz QUPWSPAQYCVZAB-HTQZYQBOSA-N 1 2 225.210 0.821 20 0 BCADLO Cn1cncc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302409 356582432 /nfs/dbraw/zinc/58/24/32/356582432.db2.gz GCNQFHGBAHQNHP-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO COCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302694 356583349 /nfs/dbraw/zinc/58/33/49/356583349.db2.gz MOLWIXADZNATRL-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302813 356583530 /nfs/dbraw/zinc/58/35/30/356583530.db2.gz POJSGLAXCHGXAI-BDAKNGLRSA-N 1 2 223.276 0.349 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303090 356584665 /nfs/dbraw/zinc/58/46/65/356584665.db2.gz VQJXYVCZKSNAOX-ZMLRMANQSA-N 1 2 249.314 0.739 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000639670613 356586715 /nfs/dbraw/zinc/58/67/15/356586715.db2.gz MGMMOHXRVAAAAB-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000639670613 356586719 /nfs/dbraw/zinc/58/67/19/356586719.db2.gz MGMMOHXRVAAAAB-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000450132533 202083788 /nfs/dbraw/zinc/08/37/88/202083788.db2.gz QAMQQJFJBSJWBD-WYUUTHIRSA-N 1 2 238.331 0.574 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000450132533 202083790 /nfs/dbraw/zinc/08/37/90/202083790.db2.gz QAMQQJFJBSJWBD-WYUUTHIRSA-N 1 2 238.331 0.574 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000450132531 202084171 /nfs/dbraw/zinc/08/41/71/202084171.db2.gz QAMQQJFJBSJWBD-WISYIIOYSA-N 1 2 238.331 0.574 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000450132531 202084172 /nfs/dbraw/zinc/08/41/72/202084172.db2.gz QAMQQJFJBSJWBD-WISYIIOYSA-N 1 2 238.331 0.574 20 0 BCADLO COc1ccc[nH+]c1N[C@@H](C)CC(N)=O ZINC000162967818 538457585 /nfs/dbraw/zinc/45/75/85/538457585.db2.gz WYACIYSZWWKBJG-ZETCQYMHSA-N 1 2 209.249 0.766 20 0 BCADLO CC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639694778 356603435 /nfs/dbraw/zinc/60/34/35/356603435.db2.gz LYKZAFVPLICUNO-OPRDCNLKSA-N 1 2 212.293 0.515 20 0 BCADLO CC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639694778 356603438 /nfs/dbraw/zinc/60/34/38/356603438.db2.gz LYKZAFVPLICUNO-OPRDCNLKSA-N 1 2 212.293 0.515 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000450188944 202092832 /nfs/dbraw/zinc/09/28/32/202092832.db2.gz VGUQGVQJVJFSEQ-IJLUTSLNSA-N 1 2 237.347 0.149 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000582233748 356634143 /nfs/dbraw/zinc/63/41/43/356634143.db2.gz AKDYXEHAJBFMTG-JQWIXIFHSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC000582233748 356634145 /nfs/dbraw/zinc/63/41/45/356634145.db2.gz AKDYXEHAJBFMTG-JQWIXIFHSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000582233747 356634160 /nfs/dbraw/zinc/63/41/60/356634160.db2.gz AKDYXEHAJBFMTG-CMPLNLGQSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cncnc1 ZINC000582233747 356634162 /nfs/dbraw/zinc/63/41/62/356634162.db2.gz AKDYXEHAJBFMTG-CMPLNLGQSA-N 1 2 237.303 0.448 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1nncs1 ZINC000450303497 202123876 /nfs/dbraw/zinc/12/38/76/202123876.db2.gz JLGYPVOXNANBCG-UHFFFAOYSA-N 1 2 228.321 0.307 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000336413323 134146604 /nfs/dbraw/zinc/14/66/04/134146604.db2.gz OLICIJPKNJAIIH-BONVTDFDSA-N 1 2 226.345 0.978 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000336413323 134146605 /nfs/dbraw/zinc/14/66/05/134146605.db2.gz OLICIJPKNJAIIH-BONVTDFDSA-N 1 2 226.345 0.978 20 0 BCADLO CNc1nc(NCC[C@H](C)O)[nH+]c2ccccc21 ZINC000450330580 202129083 /nfs/dbraw/zinc/12/90/83/202129083.db2.gz JMQJVLSQZLUTHE-VIFPVBQESA-N 1 2 246.314 0.698 20 0 BCADLO CCOCC[NH+]1CCN(c2nncs2)CC1 ZINC000450312926 202124842 /nfs/dbraw/zinc/12/48/42/202124842.db2.gz OKGGBCXGGCUXKQ-UHFFFAOYSA-N 1 2 242.348 0.697 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000450345259 202138103 /nfs/dbraw/zinc/13/81/03/202138103.db2.gz ANZWSYYBNSGUJQ-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO CC[S@](=O)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000450345259 202138105 /nfs/dbraw/zinc/13/81/05/202138105.db2.gz ANZWSYYBNSGUJQ-IEVXNVSRSA-N 1 2 246.376 0.306 20 0 BCADLO CC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399406326 356668030 /nfs/dbraw/zinc/66/80/30/356668030.db2.gz CEROCIPIEKNQKJ-UHFFFAOYSA-N 1 2 244.298 0.930 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](O)C1 ZINC000303981341 356668091 /nfs/dbraw/zinc/66/80/91/356668091.db2.gz OZMYXTZEQDCKIR-LLVKDONJSA-N 1 2 237.303 0.647 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000353077062 134160349 /nfs/dbraw/zinc/16/03/49/134160349.db2.gz MSQANIUBDMUNCL-UHFFFAOYSA-N 1 2 246.270 0.258 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H](C)S(C)(=O)=O)C[C@H](C)O1 ZINC000450384800 202148568 /nfs/dbraw/zinc/14/85/68/202148568.db2.gz BVSAUIBFCHLWRL-HBNTYKKESA-N 1 2 249.376 0.919 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H](C)S(C)(=O)=O)C[C@H](C)O1 ZINC000450384800 202148570 /nfs/dbraw/zinc/14/85/70/202148570.db2.gz BVSAUIBFCHLWRL-HBNTYKKESA-N 1 2 249.376 0.919 20 0 BCADLO CCC[C@@](C)([NH2+]C[C@@H]1COCCO1)C(=O)OC ZINC000450417416 202161094 /nfs/dbraw/zinc/16/10/94/202161094.db2.gz JJDFMLFNNDFJHN-ZYHUDNBSSA-N 1 2 245.319 0.723 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000450429921 202155569 /nfs/dbraw/zinc/15/55/69/202155569.db2.gz OBBFNDOLMYMBGV-PKFCDNJMSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000450429921 202155572 /nfs/dbraw/zinc/15/55/72/202155572.db2.gz OBBFNDOLMYMBGV-PKFCDNJMSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000450429919 202155920 /nfs/dbraw/zinc/15/59/20/202155920.db2.gz OBBFNDOLMYMBGV-BHDSKKPTSA-N 1 2 219.350 0.600 20 0 BCADLO CCC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000450429919 202155924 /nfs/dbraw/zinc/15/59/24/202155924.db2.gz OBBFNDOLMYMBGV-BHDSKKPTSA-N 1 2 219.350 0.600 20 0 BCADLO CN(CC(=O)Nc1ccccn1)Cc1c[nH+]c[nH]1 ZINC000639784179 356734337 /nfs/dbraw/zinc/73/43/37/356734337.db2.gz ZKNIXRWLMGAMBK-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO CN(CC(=O)Nc1ccccn1)Cc1c[nH]c[nH+]1 ZINC000639784179 356734339 /nfs/dbraw/zinc/73/43/39/356734339.db2.gz ZKNIXRWLMGAMBK-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1cccc2c1OCO2 ZINC000088572092 356743632 /nfs/dbraw/zinc/74/36/32/356743632.db2.gz JWJYNDSECPCUGB-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000347525383 538618497 /nfs/dbraw/zinc/61/84/97/538618497.db2.gz SQXYCDPCGLDQKS-LBPRGKRZSA-N 1 2 235.287 0.468 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000347525383 538618510 /nfs/dbraw/zinc/61/85/10/538618510.db2.gz SQXYCDPCGLDQKS-LBPRGKRZSA-N 1 2 235.287 0.468 20 0 BCADLO CCN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152081757 356754755 /nfs/dbraw/zinc/75/47/55/356754755.db2.gz FCONJJDONMKFPC-ZDUSSCGKSA-N 1 2 242.363 0.820 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000450492332 202183830 /nfs/dbraw/zinc/18/38/30/202183830.db2.gz SHZWRXPUWKUUSL-MNOVXSKESA-N 1 2 245.319 0.674 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000450492332 202183832 /nfs/dbraw/zinc/18/38/32/202183832.db2.gz SHZWRXPUWKUUSL-MNOVXSKESA-N 1 2 245.319 0.674 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOCC1)CC2 ZINC000623359984 356802598 /nfs/dbraw/zinc/80/25/98/356802598.db2.gz MTEMEUNZTPGKCM-LLVKDONJSA-N 1 2 249.314 0.613 20 0 BCADLO CCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623362664 356812589 /nfs/dbraw/zinc/81/25/89/356812589.db2.gz DVEXOQQHDXGINH-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623362664 356812590 /nfs/dbraw/zinc/81/25/90/356812590.db2.gz DVEXOQQHDXGINH-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CO[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000639832824 356816517 /nfs/dbraw/zinc/81/65/17/356816517.db2.gz DGDKTAGYWWCNQK-SNVBAGLBSA-N 1 2 203.282 0.716 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000639832824 356816522 /nfs/dbraw/zinc/81/65/22/356816522.db2.gz DGDKTAGYWWCNQK-SNVBAGLBSA-N 1 2 203.282 0.716 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000639834242 356818128 /nfs/dbraw/zinc/81/81/28/356818128.db2.gz MDTFFYWYTXIUNR-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000639834242 356818132 /nfs/dbraw/zinc/81/81/32/356818132.db2.gz MDTFFYWYTXIUNR-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000639833718 356820231 /nfs/dbraw/zinc/82/02/31/356820231.db2.gz QZFQCGMMMSHXRO-LBPRGKRZSA-N 1 2 238.287 0.153 20 0 BCADLO CO[C@@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000639833718 356820233 /nfs/dbraw/zinc/82/02/33/356820233.db2.gz QZFQCGMMMSHXRO-LBPRGKRZSA-N 1 2 238.287 0.153 20 0 BCADLO CO[C@H]1C[N@H+](CCCc2nc(C)no2)CCO1 ZINC000639834189 356821429 /nfs/dbraw/zinc/82/14/29/356821429.db2.gz PACHZMFJFWFMJM-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO CO[C@H]1C[N@@H+](CCCc2nc(C)no2)CCO1 ZINC000639834189 356821430 /nfs/dbraw/zinc/82/14/30/356821430.db2.gz PACHZMFJFWFMJM-LLVKDONJSA-N 1 2 241.291 0.615 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)[C@H](C(=O)OC)C1CC1 ZINC000088796026 356824628 /nfs/dbraw/zinc/82/46/28/356824628.db2.gz OTNBEJHEKFNBIK-NSHDSACASA-N 1 2 242.319 0.348 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)[C@H](C(=O)OC)C1CC1 ZINC000088796026 356824630 /nfs/dbraw/zinc/82/46/30/356824630.db2.gz OTNBEJHEKFNBIK-NSHDSACASA-N 1 2 242.319 0.348 20 0 BCADLO CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000639834806 356824804 /nfs/dbraw/zinc/82/48/04/356824804.db2.gz CWTXPEYMFATUTE-IUCAKERBSA-N 1 2 237.246 0.715 20 0 BCADLO CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000639834806 356824806 /nfs/dbraw/zinc/82/48/06/356824806.db2.gz CWTXPEYMFATUTE-IUCAKERBSA-N 1 2 237.246 0.715 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000639835525 356825748 /nfs/dbraw/zinc/82/57/48/356825748.db2.gz CGELGVPDYAXWPP-QWRGUYRKSA-N 1 2 233.308 0.079 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000639835525 356825752 /nfs/dbraw/zinc/82/57/52/356825752.db2.gz CGELGVPDYAXWPP-QWRGUYRKSA-N 1 2 233.308 0.079 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000639835994 356826525 /nfs/dbraw/zinc/82/65/25/356826525.db2.gz YSUVCDRMLQYLNU-ZJUUUORDSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000639835994 356826527 /nfs/dbraw/zinc/82/65/27/356826527.db2.gz YSUVCDRMLQYLNU-ZJUUUORDSA-N 1 2 201.266 0.470 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1c1ncccn1)NC1CC1 ZINC000639837698 356827434 /nfs/dbraw/zinc/82/74/34/356827434.db2.gz BNKRLAFXUDXZAP-NSHDSACASA-N 1 2 246.314 0.892 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1c1ncccn1)NC1CC1 ZINC000639837698 356827437 /nfs/dbraw/zinc/82/74/37/356827437.db2.gz BNKRLAFXUDXZAP-NSHDSACASA-N 1 2 246.314 0.892 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000639838681 356828280 /nfs/dbraw/zinc/82/82/80/356828280.db2.gz OUQNYEBJIOJJDB-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000639838681 356828285 /nfs/dbraw/zinc/82/82/85/356828285.db2.gz OUQNYEBJIOJJDB-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000639838682 356828810 /nfs/dbraw/zinc/82/88/10/356828810.db2.gz OUQNYEBJIOJJDB-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000639838682 356828815 /nfs/dbraw/zinc/82/88/15/356828815.db2.gz OUQNYEBJIOJJDB-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO CO[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000639838432 356829277 /nfs/dbraw/zinc/82/92/77/356829277.db2.gz PVRPIWPTBQRUHW-JGVFFNPUSA-N 1 2 243.225 0.604 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000639838432 356829279 /nfs/dbraw/zinc/82/92/79/356829279.db2.gz PVRPIWPTBQRUHW-JGVFFNPUSA-N 1 2 243.225 0.604 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639846517 356841820 /nfs/dbraw/zinc/84/18/20/356841820.db2.gz APUUWMCCTHUWIP-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639846517 356841824 /nfs/dbraw/zinc/84/18/24/356841824.db2.gz APUUWMCCTHUWIP-BDAKNGLRSA-N 1 2 223.263 0.849 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)nc1 ZINC000639850424 356853361 /nfs/dbraw/zinc/85/33/61/356853361.db2.gz VMPPGVANYIABLL-CMPLNLGQSA-N 1 2 237.303 0.103 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)nc1 ZINC000639850424 356853363 /nfs/dbraw/zinc/85/33/63/356853363.db2.gz VMPPGVANYIABLL-CMPLNLGQSA-N 1 2 237.303 0.103 20 0 BCADLO CCN(Cc1cn(C)nn1)Cc1c[nH+]cn1C ZINC000359303796 356888305 /nfs/dbraw/zinc/88/83/05/356888305.db2.gz PSOQFEMGKNPCMJ-UHFFFAOYSA-N 1 2 234.307 0.571 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054347011 363569554 /nfs/dbraw/zinc/56/95/54/363569554.db2.gz BLKOXMYLBXPWJA-QWRGUYRKSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054347011 363569555 /nfs/dbraw/zinc/56/95/55/363569555.db2.gz BLKOXMYLBXPWJA-QWRGUYRKSA-N 1 2 226.320 0.764 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000450557575 202197106 /nfs/dbraw/zinc/19/71/06/202197106.db2.gz BNUQZPZYZUDECR-STQMWFEESA-N 1 2 240.347 0.497 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000450557575 202197109 /nfs/dbraw/zinc/19/71/09/202197109.db2.gz BNUQZPZYZUDECR-STQMWFEESA-N 1 2 240.347 0.497 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)C[C@@H](C)OC ZINC000361573685 356933601 /nfs/dbraw/zinc/93/36/01/356933601.db2.gz NCWMKZRQOOZHMH-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1ncnn1C)C[C@@H](C)OC ZINC000361573685 356933605 /nfs/dbraw/zinc/93/36/05/356933605.db2.gz NCWMKZRQOOZHMH-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1nc(COC)no1)[C@@H]1CCOC1 ZINC000361596148 356934675 /nfs/dbraw/zinc/93/46/75/356934675.db2.gz QYILQNIYXRYCPN-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO CC[N@@H+](Cc1nc(COC)no1)[C@@H]1CCOC1 ZINC000361596148 356934678 /nfs/dbraw/zinc/93/46/78/356934678.db2.gz QYILQNIYXRYCPN-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(N)=O ZINC000359967714 356899103 /nfs/dbraw/zinc/89/91/03/356899103.db2.gz YVZQWYAYRKRNBF-MRVPVSSYSA-N 1 2 233.275 0.942 20 0 BCADLO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368333693 356970408 /nfs/dbraw/zinc/97/04/08/356970408.db2.gz UQVPPOOMYUANCR-GRYCIOLGSA-N 1 2 229.320 0.637 20 0 BCADLO CCCCOC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368333693 356970410 /nfs/dbraw/zinc/97/04/10/356970410.db2.gz UQVPPOOMYUANCR-GRYCIOLGSA-N 1 2 229.320 0.637 20 0 BCADLO CC[C@@H](CO)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000450582536 202202670 /nfs/dbraw/zinc/20/26/70/202202670.db2.gz SGNZKJOMFCIIDS-VIFPVBQESA-N 1 2 239.323 0.453 20 0 BCADLO CC[C@@H](CO)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000450582536 202202674 /nfs/dbraw/zinc/20/26/74/202202674.db2.gz SGNZKJOMFCIIDS-VIFPVBQESA-N 1 2 239.323 0.453 20 0 BCADLO CCC(=O)CCC[NH+]1CCN(C(=O)NC)CC1 ZINC000450578019 202203844 /nfs/dbraw/zinc/20/38/44/202203844.db2.gz VCNAAAROXNISRG-UHFFFAOYSA-N 1 2 241.335 0.703 20 0 BCADLO C[N@@H+]1CCN(CC[C@@H]2CCCCO2)[C@H](CO)C1 ZINC000639866520 356982372 /nfs/dbraw/zinc/98/23/72/356982372.db2.gz FXGVSWCBEAYPNU-STQMWFEESA-N 1 2 242.363 0.554 20 0 BCADLO C[N@H+]1CCN(CC[C@@H]2CCCCO2)[C@H](CO)C1 ZINC000639866520 356982376 /nfs/dbraw/zinc/98/23/76/356982376.db2.gz FXGVSWCBEAYPNU-STQMWFEESA-N 1 2 242.363 0.554 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000354088765 538772991 /nfs/dbraw/zinc/77/29/91/538772991.db2.gz AIUFBXIZVHHWOY-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000354088765 538772996 /nfs/dbraw/zinc/77/29/96/538772996.db2.gz AIUFBXIZVHHWOY-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639872632 357044436 /nfs/dbraw/zinc/04/44/36/357044436.db2.gz RTRWYAQDCAECHQ-LLVKDONJSA-N 1 2 239.319 0.400 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639872632 357044440 /nfs/dbraw/zinc/04/44/40/357044440.db2.gz RTRWYAQDCAECHQ-LLVKDONJSA-N 1 2 239.319 0.400 20 0 BCADLO CC/C=C\CCN1CC[N@H+](C)C[C@H]1CO ZINC000639869335 357015148 /nfs/dbraw/zinc/01/51/48/357015148.db2.gz BCZHDLIGBBCXTJ-RXNFCKPNSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C\CCN1CC[N@@H+](C)C[C@H]1CO ZINC000639869335 357015151 /nfs/dbraw/zinc/01/51/51/357015151.db2.gz BCZHDLIGBBCXTJ-RXNFCKPNSA-N 1 2 212.337 0.951 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cn[nH]c1 ZINC000355246570 538791585 /nfs/dbraw/zinc/79/15/85/538791585.db2.gz IABKAXJWXBGAMQ-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000355246570 538791589 /nfs/dbraw/zinc/79/15/89/538791589.db2.gz IABKAXJWXBGAMQ-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079346 357064010 /nfs/dbraw/zinc/06/40/10/357064010.db2.gz QSEWXAGJMRADJJ-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079346 357064012 /nfs/dbraw/zinc/06/40/12/357064012.db2.gz QSEWXAGJMRADJJ-SSDOTTSWSA-N 1 2 241.209 0.813 20 0 BCADLO C[C@H](C[NH2+][C@H](C)c1ncc[nH]1)S(C)(=O)=O ZINC000389996870 357081245 /nfs/dbraw/zinc/08/12/45/357081245.db2.gz QUDBIOBNEZFCLW-HTQZYQBOSA-N 1 2 231.321 0.493 20 0 BCADLO COCC[C@@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354925462 538786562 /nfs/dbraw/zinc/78/65/62/538786562.db2.gz FXABWIRJCQVKPF-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354925462 538786565 /nfs/dbraw/zinc/78/65/65/538786565.db2.gz FXABWIRJCQVKPF-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354925462 538786568 /nfs/dbraw/zinc/78/65/68/538786568.db2.gz FXABWIRJCQVKPF-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO COCC[C@@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354925462 538786569 /nfs/dbraw/zinc/78/65/69/538786569.db2.gz FXABWIRJCQVKPF-MRVPVSSYSA-N 1 2 226.280 0.224 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H](CO)C2CCCCC2)[nH]1 ZINC000543835965 325116445 /nfs/dbraw/zinc/11/64/45/325116445.db2.gz DRWKXUUJNOVMBS-SECBINFHSA-N 1 2 240.307 0.541 20 0 BCADLO CNC(=O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582423597 357145192 /nfs/dbraw/zinc/14/51/92/357145192.db2.gz DWWPBRUEFLKSHS-VIFPVBQESA-N 1 2 238.291 0.039 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000356591334 538813135 /nfs/dbraw/zinc/81/31/35/538813135.db2.gz JAJCCWVQJCORAU-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000356591334 538813142 /nfs/dbraw/zinc/81/31/42/538813142.db2.gz JAJCCWVQJCORAU-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000376511251 357207828 /nfs/dbraw/zinc/20/78/28/357207828.db2.gz KZKWAKIFOUBHOQ-LBPRGKRZSA-N 1 2 246.326 0.555 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000376511251 357207834 /nfs/dbraw/zinc/20/78/34/357207834.db2.gz KZKWAKIFOUBHOQ-LBPRGKRZSA-N 1 2 246.326 0.555 20 0 BCADLO COC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000356755709 538814730 /nfs/dbraw/zinc/81/47/30/538814730.db2.gz SAKZHHNSXGJEBX-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CCCC[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000306016078 357218870 /nfs/dbraw/zinc/21/88/70/357218870.db2.gz NDPSAFSJXTXXIC-GFCCVEGCSA-N 1 2 242.363 0.949 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000639892435 357220059 /nfs/dbraw/zinc/22/00/59/357220059.db2.gz ISVXGSYFGFAPSK-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO Cc1nccnc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000639892435 357220061 /nfs/dbraw/zinc/22/00/61/357220061.db2.gz ISVXGSYFGFAPSK-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ncccc1O ZINC000356756642 538816634 /nfs/dbraw/zinc/81/66/34/538816634.db2.gz WZYMZTTWYUUUCF-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccon1 ZINC000356798029 538818049 /nfs/dbraw/zinc/81/80/49/538818049.db2.gz FVFOWWUUQVVGKX-UHFFFAOYSA-N 1 2 206.205 0.338 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[NH+](CCO)CC1 ZINC000305217112 357188675 /nfs/dbraw/zinc/18/86/75/357188675.db2.gz RQZTWUVBZIVFKQ-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO Cc1cc(NC(=O)N2CC([C@H](C)O)C2)c(C)c[nH+]1 ZINC000639900440 357285704 /nfs/dbraw/zinc/28/57/04/357285704.db2.gz STFGBJKPTVUANR-JTQLQIEISA-N 1 2 249.314 0.965 20 0 BCADLO Cn1c[nH+]cc1CN=c1ncnc2[nH][nH]cc1-2 ZINC000356958274 538820861 /nfs/dbraw/zinc/82/08/61/538820861.db2.gz CEVYBTIBAXKAKL-UHFFFAOYSA-N 1 2 229.247 0.072 20 0 BCADLO CC[N@H+](CCOC[C@@H]1CCCO1)CC(=O)OC ZINC000610161317 357263019 /nfs/dbraw/zinc/26/30/19/357263019.db2.gz IHMWWVXSQLWRJO-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@@H+](CCOC[C@@H]1CCCO1)CC(=O)OC ZINC000610161317 357263021 /nfs/dbraw/zinc/26/30/21/357263021.db2.gz IHMWWVXSQLWRJO-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCn1cc[nH+]c1CNc1ncncc1C#N ZINC000385326787 357272205 /nfs/dbraw/zinc/27/22/05/357272205.db2.gz JRFPZKIBAHNSQX-UHFFFAOYSA-N 1 2 228.259 0.599 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCC12COC2 ZINC000639899589 357277693 /nfs/dbraw/zinc/27/76/93/357277693.db2.gz IPAXOUZBIGQNLX-UHFFFAOYSA-N 1 2 233.271 0.819 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](O)CC1 ZINC000393246389 357279494 /nfs/dbraw/zinc/27/94/94/357279494.db2.gz SFDWOEQPQCPACW-MRVPVSSYSA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](O)CC1 ZINC000393246389 357279495 /nfs/dbraw/zinc/27/94/95/357279495.db2.gz SFDWOEQPQCPACW-MRVPVSSYSA-N 1 2 238.291 0.419 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050113661 357378288 /nfs/dbraw/zinc/37/82/88/357378288.db2.gz HGGLYGJUGOWROU-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050113661 357378290 /nfs/dbraw/zinc/37/82/90/357378290.db2.gz HGGLYGJUGOWROU-QMMMGPOBSA-N 1 2 211.265 0.589 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CO1 ZINC000582548502 357332964 /nfs/dbraw/zinc/33/29/64/357332964.db2.gz OOTGUQWKNJNNTP-DTWKUNHWSA-N 1 2 223.276 0.256 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CO1 ZINC000582548504 357333132 /nfs/dbraw/zinc/33/31/32/357333132.db2.gz OOTGUQWKNJNNTP-RKDXNWHRSA-N 1 2 223.276 0.256 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N(CCO)CC(F)F ZINC000357553990 538829973 /nfs/dbraw/zinc/82/99/73/538829973.db2.gz WFTVRZRPSUCVTI-UHFFFAOYSA-N 1 2 247.245 0.428 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N(CCO)CC(F)F ZINC000357553990 538829981 /nfs/dbraw/zinc/82/99/81/538829981.db2.gz WFTVRZRPSUCVTI-UHFFFAOYSA-N 1 2 247.245 0.428 20 0 BCADLO Cc1nc(NC(=O)C[NH+]2CC(C)(C)C2)nn1C ZINC000582555387 357343491 /nfs/dbraw/zinc/34/34/91/357343491.db2.gz DIRYIEYNEXXHPO-UHFFFAOYSA-N 1 2 237.307 0.404 20 0 BCADLO C[C@@H](CC(=O)NC[C@@H](O)C(F)F)n1cc[nH+]c1 ZINC000582669248 357359364 /nfs/dbraw/zinc/35/93/64/357359364.db2.gz HHNVHZOXBDTDFE-JGVFFNPUSA-N 1 2 247.245 0.576 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)nn1C ZINC000582675616 357361120 /nfs/dbraw/zinc/36/11/20/357361120.db2.gz OAHFAARTYIWDLN-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000582683802 357367863 /nfs/dbraw/zinc/36/78/63/357367863.db2.gz LADDHAHZOVNYIQ-SECBINFHSA-N 1 2 207.277 0.974 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1O ZINC000395496792 357443327 /nfs/dbraw/zinc/44/33/27/357443327.db2.gz PROAQTKLQBPVMR-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1O ZINC000395496792 357443333 /nfs/dbraw/zinc/44/33/33/357443333.db2.gz PROAQTKLQBPVMR-HTQZYQBOSA-N 1 2 229.305 0.038 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000583153841 357496809 /nfs/dbraw/zinc/49/68/09/357496809.db2.gz QMKCBFXQFXAQPW-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000583153841 357496814 /nfs/dbraw/zinc/49/68/14/357496814.db2.gz QMKCBFXQFXAQPW-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO COCC[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639910485 357482704 /nfs/dbraw/zinc/48/27/04/357482704.db2.gz GKJUZFVSKHMRLF-UHFFFAOYSA-N 1 2 237.303 0.628 20 0 BCADLO COCC[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639910485 357482707 /nfs/dbraw/zinc/48/27/07/357482707.db2.gz GKJUZFVSKHMRLF-UHFFFAOYSA-N 1 2 237.303 0.628 20 0 BCADLO O=C(NC1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188408004 357551856 /nfs/dbraw/zinc/55/18/56/357551856.db2.gz AJYPQVAAUBXQNU-GFCCVEGCSA-N 1 2 238.331 0.908 20 0 BCADLO O=C(NC1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188408004 357551860 /nfs/dbraw/zinc/55/18/60/357551860.db2.gz AJYPQVAAUBXQNU-GFCCVEGCSA-N 1 2 238.331 0.908 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@]1(OC)CCOC1)C1CC1 ZINC000231204192 357599911 /nfs/dbraw/zinc/59/99/11/357599911.db2.gz WBTVWDJKVJLNPA-PWSUYJOCSA-N 1 2 243.303 0.333 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCO[C@H](C)C1 ZINC000189073503 357602774 /nfs/dbraw/zinc/60/27/74/357602774.db2.gz MMKVFCHYBTZOQM-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCCO[C@H](C)C1 ZINC000189073503 357602780 /nfs/dbraw/zinc/60/27/80/357602780.db2.gz MMKVFCHYBTZOQM-BDAKNGLRSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccnn1C ZINC000189104442 357615157 /nfs/dbraw/zinc/61/51/57/357615157.db2.gz XOPLBMGSVDTBOH-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccnn1C ZINC000189104442 357615160 /nfs/dbraw/zinc/61/51/60/357615160.db2.gz XOPLBMGSVDTBOH-VIFPVBQESA-N 1 2 222.292 0.131 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCSC ZINC000189539795 357643460 /nfs/dbraw/zinc/64/34/60/357643460.db2.gz RDQPJSISTLDGBQ-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCSC ZINC000189539795 357643463 /nfs/dbraw/zinc/64/34/63/357643463.db2.gz RDQPJSISTLDGBQ-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCSC ZINC000189539771 357643572 /nfs/dbraw/zinc/64/35/72/357643572.db2.gz RDQPJSISTLDGBQ-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCSC ZINC000189539771 357643573 /nfs/dbraw/zinc/64/35/73/357643573.db2.gz RDQPJSISTLDGBQ-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H]1CC[C@H](C)O1 ZINC000190554519 357714985 /nfs/dbraw/zinc/71/49/85/357714985.db2.gz BQOXKMKHPLPCBT-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H]1CC[C@H](C)O1 ZINC000190554519 357714988 /nfs/dbraw/zinc/71/49/88/357714988.db2.gz BQOXKMKHPLPCBT-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H](C)O1 ZINC000190554560 357715415 /nfs/dbraw/zinc/71/54/15/357715415.db2.gz BQOXKMKHPLPCBT-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@@H]1CC[C@H](C)O1 ZINC000190554560 357715417 /nfs/dbraw/zinc/71/54/17/357715417.db2.gz BQOXKMKHPLPCBT-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCN1CCCN(Cc2[nH+]ccn2C)CC1=O ZINC000190165809 357690684 /nfs/dbraw/zinc/69/06/84/357690684.db2.gz HFNRBRDHOLNQIB-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CO ZINC000190899460 357736833 /nfs/dbraw/zinc/73/68/33/357736833.db2.gz HDIQHZAWIHMMQX-SCZZXKLOSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CO ZINC000190899460 357736836 /nfs/dbraw/zinc/73/68/36/357736836.db2.gz HDIQHZAWIHMMQX-SCZZXKLOSA-N 1 2 236.319 0.742 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)[nH]1 ZINC000583264367 357756302 /nfs/dbraw/zinc/75/63/02/357756302.db2.gz JXZXMIBIGCLSST-MRVPVSSYSA-N 1 2 244.245 0.397 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N(C(C)C)C(C)C ZINC000191734237 357791395 /nfs/dbraw/zinc/79/13/95/357791395.db2.gz QODUVSLCLYXMMB-UHFFFAOYSA-N 1 2 243.351 0.439 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N(C(C)C)C(C)C ZINC000191734237 357791400 /nfs/dbraw/zinc/79/14/00/357791400.db2.gz QODUVSLCLYXMMB-UHFFFAOYSA-N 1 2 243.351 0.439 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOCC(C)C ZINC000234572228 357812886 /nfs/dbraw/zinc/81/28/86/357812886.db2.gz JWYUKRYCZYNFGN-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOCC(C)C ZINC000234572228 357812891 /nfs/dbraw/zinc/81/28/91/357812891.db2.gz JWYUKRYCZYNFGN-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192040538 357815089 /nfs/dbraw/zinc/81/50/89/357815089.db2.gz GRISYRYEZAIEAE-SFYZADRCSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192040538 357815094 /nfs/dbraw/zinc/81/50/94/357815094.db2.gz GRISYRYEZAIEAE-SFYZADRCSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](O)C1 ZINC000191995409 357819566 /nfs/dbraw/zinc/81/95/66/357819566.db2.gz KXZGZDQZBDEIQV-VXNVDRBHSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](O)C1 ZINC000191995409 357819572 /nfs/dbraw/zinc/81/95/72/357819572.db2.gz KXZGZDQZBDEIQV-VXNVDRBHSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000192775458 357851392 /nfs/dbraw/zinc/85/13/92/357851392.db2.gz HMQWAGOVWROVEX-RKDXNWHRSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000192775458 357851396 /nfs/dbraw/zinc/85/13/96/357851396.db2.gz HMQWAGOVWROVEX-RKDXNWHRSA-N 1 2 210.281 0.713 20 0 BCADLO C[N@H+](CCC(F)(F)F)CC(=O)NC(N)=O ZINC000064635362 357849937 /nfs/dbraw/zinc/84/99/37/357849937.db2.gz CYWWKWFLNIVXRE-UHFFFAOYSA-N 1 2 227.186 0.066 20 0 BCADLO C[N@@H+](CCC(F)(F)F)CC(=O)NC(N)=O ZINC000064635362 357849939 /nfs/dbraw/zinc/84/99/39/357849939.db2.gz CYWWKWFLNIVXRE-UHFFFAOYSA-N 1 2 227.186 0.066 20 0 BCADLO CC(C)CC[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000583317342 357900443 /nfs/dbraw/zinc/90/04/43/357900443.db2.gz DZZIMXWKVXYYFC-SECBINFHSA-N 1 2 227.312 0.097 20 0 BCADLO CCOC(=O)[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000583787180 357942350 /nfs/dbraw/zinc/94/23/50/357942350.db2.gz IUFWYFVMASUKJS-VIFPVBQESA-N 1 2 239.275 0.293 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[S@](=O)C1 ZINC000610486658 357952109 /nfs/dbraw/zinc/95/21/09/357952109.db2.gz SCHHHBKLPBRSTJ-IEVXNVSRSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[S@](=O)C1 ZINC000610486658 357952111 /nfs/dbraw/zinc/95/21/11/357952111.db2.gz SCHHHBKLPBRSTJ-IEVXNVSRSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@H]1N(C(=O)Cn2cc[nH+]c2)CCOC1(C)C ZINC000583845983 357976203 /nfs/dbraw/zinc/97/62/03/357976203.db2.gz HVEHHIOHRVZCGF-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO Cn1nccc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639966967 358021135 /nfs/dbraw/zinc/02/11/35/358021135.db2.gz FQGRLLFBTJSXCC-MRVPVSSYSA-N 1 2 246.274 0.363 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639970450 358022955 /nfs/dbraw/zinc/02/29/55/358022955.db2.gz NHFWSSMIIOEYBV-NSHDSACASA-N 1 2 227.308 0.547 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639970450 358022958 /nfs/dbraw/zinc/02/29/58/358022958.db2.gz NHFWSSMIIOEYBV-NSHDSACASA-N 1 2 227.308 0.547 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)[C@](C)(CO)C1 ZINC000640004882 358051553 /nfs/dbraw/zinc/05/15/53/358051553.db2.gz OPVQQJUSBUYSBF-ONGXEEELSA-N 1 2 240.307 0.085 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)[C@](C)(CO)C1 ZINC000640004882 358051555 /nfs/dbraw/zinc/05/15/55/358051555.db2.gz OPVQQJUSBUYSBF-ONGXEEELSA-N 1 2 240.307 0.085 20 0 BCADLO CCOC(=O)COCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000169136813 134249369 /nfs/dbraw/zinc/24/93/69/134249369.db2.gz RHYLLKZWMRIRRX-SNVBAGLBSA-N 1 2 243.303 0.477 20 0 BCADLO CCOC(=O)COCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000169136813 134249370 /nfs/dbraw/zinc/24/93/70/134249370.db2.gz RHYLLKZWMRIRRX-SNVBAGLBSA-N 1 2 243.303 0.477 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC000640006140 358061185 /nfs/dbraw/zinc/06/11/85/358061185.db2.gz ULZIUJYMKHKKQW-VHSXEESVSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC000640006140 358061187 /nfs/dbraw/zinc/06/11/87/358061187.db2.gz ULZIUJYMKHKKQW-VHSXEESVSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2noc(C)n2)[C@@](C)(CO)C1 ZINC000640009834 358075523 /nfs/dbraw/zinc/07/55/23/358075523.db2.gz PZHBIJBFWITSKV-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2noc(C)n2)[C@@](C)(CO)C1 ZINC000640009834 358075526 /nfs/dbraw/zinc/07/55/26/358075526.db2.gz PZHBIJBFWITSKV-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO CCOCc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000547208220 325332505 /nfs/dbraw/zinc/33/25/05/325332505.db2.gz QQGRBNJUQQOLFP-SECBINFHSA-N 1 2 240.307 0.524 20 0 BCADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861515 134254106 /nfs/dbraw/zinc/25/41/06/134254106.db2.gz QIENQNPUHBVRSB-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861515 134254107 /nfs/dbraw/zinc/25/41/07/134254107.db2.gz QIENQNPUHBVRSB-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1nccn1CC ZINC000051921534 358101898 /nfs/dbraw/zinc/10/18/98/358101898.db2.gz RYXBBJZBFFRRFL-VIFPVBQESA-N 1 2 224.308 0.517 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171223248 134256438 /nfs/dbraw/zinc/25/64/38/134256438.db2.gz YRHMDLXXOAQBSS-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171223248 134256439 /nfs/dbraw/zinc/25/64/39/134256439.db2.gz YRHMDLXXOAQBSS-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC2)C1 ZINC000170920699 134255302 /nfs/dbraw/zinc/25/53/02/134255302.db2.gz FZOCRHDMIWRQNT-SNVBAGLBSA-N 1 2 227.308 0.026 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)NCC2CC2)C1 ZINC000170920699 134255303 /nfs/dbraw/zinc/25/53/03/134255303.db2.gz FZOCRHDMIWRQNT-SNVBAGLBSA-N 1 2 227.308 0.026 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000640034815 358127347 /nfs/dbraw/zinc/12/73/47/358127347.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000640034815 358127349 /nfs/dbraw/zinc/12/73/49/358127349.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000640034815 358127353 /nfs/dbraw/zinc/12/73/53/358127353.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000640034815 358127355 /nfs/dbraw/zinc/12/73/55/358127355.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000640034815 358127358 /nfs/dbraw/zinc/12/73/58/358127358.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000640034815 358127360 /nfs/dbraw/zinc/12/73/60/358127360.db2.gz CXQZKFAPZDUFJC-SNVBAGLBSA-N 1 2 210.281 0.542 20 0 BCADLO CN(CC(F)F)C(=O)NCCn1cc[nH+]c1 ZINC000171408358 134257917 /nfs/dbraw/zinc/25/79/17/134257917.db2.gz VJNZJVXFCLIIHN-UHFFFAOYSA-N 1 2 232.234 0.790 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(CCO)CCC1 ZINC000584754420 358168618 /nfs/dbraw/zinc/16/86/18/358168618.db2.gz VXXRCTFHZIMQEQ-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC12CC2 ZINC000584842895 358200421 /nfs/dbraw/zinc/20/04/21/358200421.db2.gz DBHNXQVFYWSKAT-VIFPVBQESA-N 1 2 205.261 0.799 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659199 358218806 /nfs/dbraw/zinc/21/88/06/358218806.db2.gz ZSHSUSSUEOKARV-VIFPVBQESA-N 1 2 229.324 0.097 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659199 358218812 /nfs/dbraw/zinc/21/88/12/358218812.db2.gz ZSHSUSSUEOKARV-VIFPVBQESA-N 1 2 229.324 0.097 20 0 BCADLO CCN(c1ncnc2c1C[N@H+](C)CC2)C1COC1 ZINC000450646124 202221581 /nfs/dbraw/zinc/22/15/81/202221581.db2.gz FERNRBDPWJSACC-UHFFFAOYSA-N 1 2 248.330 0.690 20 0 BCADLO CCN(c1ncnc2c1C[N@@H+](C)CC2)C1COC1 ZINC000450646124 202221584 /nfs/dbraw/zinc/22/15/84/202221584.db2.gz FERNRBDPWJSACC-UHFFFAOYSA-N 1 2 248.330 0.690 20 0 BCADLO CCN(c1[nH+]cnc2c1cnn2C)C1COC1 ZINC000450644637 202221668 /nfs/dbraw/zinc/22/16/68/202221668.db2.gz BHZDOSQUXKBLFF-UHFFFAOYSA-N 1 2 233.275 0.588 20 0 BCADLO COCC1(O)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000450680528 202231720 /nfs/dbraw/zinc/23/17/20/202231720.db2.gz MGABNRHENNKUNB-UHFFFAOYSA-N 1 2 237.303 0.599 20 0 BCADLO CSCC(=O)NCCc1c[nH+]cn1C ZINC000547482228 325361354 /nfs/dbraw/zinc/36/13/54/325361354.db2.gz DJZUAVCPDDGVRL-UHFFFAOYSA-N 1 2 213.306 0.442 20 0 BCADLO C/C=C\CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000623425023 358221252 /nfs/dbraw/zinc/22/12/52/358221252.db2.gz NZSDJZHEEVMFNR-DLRQAJBASA-N 1 2 241.335 0.582 20 0 BCADLO Cn1cc(C(=O)NCCCCn2cc[nH+]c2)nn1 ZINC000041511863 358313637 /nfs/dbraw/zinc/31/36/37/358313637.db2.gz ZWWANZNQBHKSQM-UHFFFAOYSA-N 1 2 248.290 0.222 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000547539888 325371719 /nfs/dbraw/zinc/37/17/19/325371719.db2.gz IACLKRBPZVSXPA-DTWKUNHWSA-N 1 2 225.292 0.096 20 0 BCADLO Cc1cccn2cc(CC(=O)NCCCO)[nH+]c12 ZINC000041287535 358282169 /nfs/dbraw/zinc/28/21/69/358282169.db2.gz KHNPBDXZBOBGOL-UHFFFAOYSA-N 1 2 247.298 0.684 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000041567938 358333247 /nfs/dbraw/zinc/33/32/47/358333247.db2.gz ACUYVOYFXLUTEO-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000226213608 358335929 /nfs/dbraw/zinc/33/59/29/358335929.db2.gz MESGIFUTJLHTPK-NSHDSACASA-N 1 2 239.323 0.430 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000226213608 358335932 /nfs/dbraw/zinc/33/59/32/358335932.db2.gz MESGIFUTJLHTPK-NSHDSACASA-N 1 2 239.323 0.430 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173453061 134274228 /nfs/dbraw/zinc/27/42/28/134274228.db2.gz XCLZDGOTFFANOP-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173453061 134274229 /nfs/dbraw/zinc/27/42/29/134274229.db2.gz XCLZDGOTFFANOP-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO CC(C)COC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000228759480 358385680 /nfs/dbraw/zinc/38/56/80/358385680.db2.gz LZXCMCFWAAABGP-SECBINFHSA-N 1 2 241.278 0.237 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@H](OC)C1 ZINC000230381073 358397879 /nfs/dbraw/zinc/39/78/79/358397879.db2.gz CCUQTVQDAKEGCL-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@H](OC)C1 ZINC000230381073 358397881 /nfs/dbraw/zinc/39/78/81/358397881.db2.gz CCUQTVQDAKEGCL-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1nccn1CC ZINC000229522159 358403670 /nfs/dbraw/zinc/40/36/70/358403670.db2.gz FDDBHNSKRFFPKB-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CC(C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173835408 134278130 /nfs/dbraw/zinc/27/81/30/134278130.db2.gz CMZYOQRXTKPLTN-VXGBXAGGSA-N 1 2 240.347 0.822 20 0 BCADLO COCc1csc([C@H]2COCC[NH2+]2)n1 ZINC000231692859 358418916 /nfs/dbraw/zinc/41/89/16/358418916.db2.gz NYEXJNFERWAAHD-MRVPVSSYSA-N 1 2 214.290 0.950 20 0 BCADLO CO[C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000074230610 358425186 /nfs/dbraw/zinc/42/51/86/358425186.db2.gz TWYWZDNBMHNXQH-SNVBAGLBSA-N 1 2 225.292 0.670 20 0 BCADLO COC(=O)c1nccc(NCc2[nH+]ccn2C)n1 ZINC000090738166 363610931 /nfs/dbraw/zinc/61/09/31/363610931.db2.gz ZDKQTAQQSNFQGT-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C1CC1 ZINC000547730330 325389621 /nfs/dbraw/zinc/38/96/21/325389621.db2.gz UUPBVKJJHNXBBX-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO COCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044534979 358550167 /nfs/dbraw/zinc/55/01/67/358550167.db2.gz LWIPXGVPEXESLS-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774203 358580093 /nfs/dbraw/zinc/58/00/93/358580093.db2.gz ACYZBLZQGYGNHL-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774203 358580096 /nfs/dbraw/zinc/58/00/96/358580096.db2.gz ACYZBLZQGYGNHL-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCC1(O)CCC1 ZINC000081431471 491134808 /nfs/dbraw/zinc/13/48/08/491134808.db2.gz BAKLEQLQRDIUDZ-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000048048368 358613471 /nfs/dbraw/zinc/61/34/71/358613471.db2.gz XRZLEVJFDHBPGL-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000048048368 358613473 /nfs/dbraw/zinc/61/34/73/358613473.db2.gz XRZLEVJFDHBPGL-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)NCC(F)F)CC2 ZINC000640194903 358621641 /nfs/dbraw/zinc/62/16/41/358621641.db2.gz CXUBRSOIHLSZRI-UHFFFAOYSA-N 1 2 244.245 0.982 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000129857553 358599688 /nfs/dbraw/zinc/59/96/88/358599688.db2.gz OCALQJXFOGJQOO-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOCCO ZINC000129857553 358599690 /nfs/dbraw/zinc/59/96/90/358599690.db2.gz OCALQJXFOGJQOO-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CCc1nc(C[N@@H+]2CCCC[C@@H]2CO)no1 ZINC000048743318 358652350 /nfs/dbraw/zinc/65/23/50/358652350.db2.gz TWXFAUDCUXVOFX-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCCC[C@@H]2CO)no1 ZINC000048743318 358652352 /nfs/dbraw/zinc/65/23/52/358652352.db2.gz TWXFAUDCUXVOFX-SECBINFHSA-N 1 2 225.292 0.979 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)N1CCOCC1 ZINC000131144793 358662778 /nfs/dbraw/zinc/66/27/78/358662778.db2.gz KIMTVIDAKVZEGW-UHFFFAOYSA-N 1 2 238.291 0.304 20 0 BCADLO CCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000049348844 358684641 /nfs/dbraw/zinc/68/46/41/358684641.db2.gz KQAZNURJVBPWFX-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000049348844 358684644 /nfs/dbraw/zinc/68/46/44/358684644.db2.gz KQAZNURJVBPWFX-UHFFFAOYSA-N 1 2 241.335 0.196 20 0 BCADLO CC(C)(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000049348759 358684774 /nfs/dbraw/zinc/68/47/74/358684774.db2.gz JFFZUSKNJYMUNI-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC(C)(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000049348759 358684777 /nfs/dbraw/zinc/68/47/77/358684777.db2.gz JFFZUSKNJYMUNI-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1nccn1C ZINC000132120137 358708920 /nfs/dbraw/zinc/70/89/20/358708920.db2.gz VOVRKVQMMNRMIN-RQJHMYQMSA-N 1 2 237.225 0.994 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000050048501 358710285 /nfs/dbraw/zinc/71/02/85/358710285.db2.gz JOFMTULFMBAKOB-SNVBAGLBSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000050048501 358710287 /nfs/dbraw/zinc/71/02/87/358710287.db2.gz JOFMTULFMBAKOB-SNVBAGLBSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)C[N@H+](CCN1CCOCC1)C(C)C ZINC000050063503 358711791 /nfs/dbraw/zinc/71/17/91/358711791.db2.gz HKCYVSSCOPMDAL-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C[N@@H+](CCN1CCOCC1)C(C)C ZINC000050063503 358711793 /nfs/dbraw/zinc/71/17/93/358711793.db2.gz HKCYVSSCOPMDAL-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)CN(CC[NH+]1CCOCC1)C(C)C ZINC000050063503 358711795 /nfs/dbraw/zinc/71/17/95/358711795.db2.gz HKCYVSSCOPMDAL-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO COCCn1cc(NCc2[nH+]ccn2C)cn1 ZINC000051922795 358768176 /nfs/dbraw/zinc/76/81/76/358768176.db2.gz DYPQQMLFNVYZFT-UHFFFAOYSA-N 1 2 235.291 0.875 20 0 BCADLO CCCCc1noc(C[NH+](CCO)CCO)n1 ZINC000050103313 358714974 /nfs/dbraw/zinc/71/49/74/358714974.db2.gz QGCZTWUPUUGBDM-UHFFFAOYSA-N 1 2 243.307 0.199 20 0 BCADLO C[N@H+](CCO)Cc1nc(N)c2ccccc2n1 ZINC000050104593 358715677 /nfs/dbraw/zinc/71/56/77/358715677.db2.gz LHIUWIAUGGSLKZ-UHFFFAOYSA-N 1 2 232.287 0.636 20 0 BCADLO C[N@@H+](CCO)Cc1nc(N)c2ccccc2n1 ZINC000050104593 358715679 /nfs/dbraw/zinc/71/56/79/358715679.db2.gz LHIUWIAUGGSLKZ-UHFFFAOYSA-N 1 2 232.287 0.636 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000050116855 358717600 /nfs/dbraw/zinc/71/76/00/358717600.db2.gz KTZJJPGQXZSUNZ-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000050116855 358717603 /nfs/dbraw/zinc/71/76/03/358717603.db2.gz KTZJJPGQXZSUNZ-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000050419568 358730003 /nfs/dbraw/zinc/73/00/03/358730003.db2.gz ROPFFQPOCJMTEE-DTWKUNHWSA-N 1 2 239.323 0.380 20 0 BCADLO Fc1cnccc1C[N@@H+]1CCn2nncc2C1 ZINC000578245199 366469376 /nfs/dbraw/zinc/46/93/76/366469376.db2.gz GCNMPBSOMXWDCJ-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cnccc1C[N@H+]1CCn2nncc2C1 ZINC000578245199 366469381 /nfs/dbraw/zinc/46/93/81/366469381.db2.gz GCNMPBSOMXWDCJ-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO C[N@H+](CCn1cccn1)Cc1nccc(N)n1 ZINC000135069129 358818918 /nfs/dbraw/zinc/81/89/18/358818918.db2.gz RVMRTPCWJBJVKT-UHFFFAOYSA-N 1 2 232.291 0.387 20 0 BCADLO C[N@@H+](CCn1cccn1)Cc1nccc(N)n1 ZINC000135069129 358818921 /nfs/dbraw/zinc/81/89/21/358818921.db2.gz RVMRTPCWJBJVKT-UHFFFAOYSA-N 1 2 232.291 0.387 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000628474245 358785936 /nfs/dbraw/zinc/78/59/36/358785936.db2.gz PIWZAZHNVPAKAT-JTQLQIEISA-N 1 2 224.260 0.356 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000628474245 358785939 /nfs/dbraw/zinc/78/59/39/358785939.db2.gz PIWZAZHNVPAKAT-JTQLQIEISA-N 1 2 224.260 0.356 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1ccnc(N)c1 ZINC000052729366 358791691 /nfs/dbraw/zinc/79/16/91/358791691.db2.gz QUSCHSKVNZGASG-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccnc(N)c1 ZINC000052729366 358791692 /nfs/dbraw/zinc/79/16/92/358791692.db2.gz QUSCHSKVNZGASG-UHFFFAOYSA-N 1 2 236.319 0.620 20 0 BCADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(=O)[nH]1 ZINC000134631627 358799325 /nfs/dbraw/zinc/79/93/25/358799325.db2.gz QRDSILAYRNGMSI-UHFFFAOYSA-N 1 2 232.243 0.336 20 0 BCADLO OCCC[N@H+](Cc1csnn1)C1CC1 ZINC000308562461 491137067 /nfs/dbraw/zinc/13/70/67/491137067.db2.gz YHFJKPDVORROTR-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO OCCC[N@@H+](Cc1csnn1)C1CC1 ZINC000308562461 491137068 /nfs/dbraw/zinc/13/70/68/491137068.db2.gz YHFJKPDVORROTR-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(N)=O ZINC000135600760 358845388 /nfs/dbraw/zinc/84/53/88/358845388.db2.gz QWTVHRMLISFHLE-SECBINFHSA-N 1 2 222.292 0.215 20 0 BCADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(N)=O ZINC000135600760 358845391 /nfs/dbraw/zinc/84/53/91/358845391.db2.gz QWTVHRMLISFHLE-SECBINFHSA-N 1 2 222.292 0.215 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474830 358893577 /nfs/dbraw/zinc/89/35/77/358893577.db2.gz RVXIQGSYKIIQGK-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccoc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474830 358893580 /nfs/dbraw/zinc/89/35/80/358893580.db2.gz RVXIQGSYKIIQGK-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000618715736 358942481 /nfs/dbraw/zinc/94/24/81/358942481.db2.gz YFZPZTWRXSLCIC-ZWNOBZJWSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@]12COC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000618715736 358942482 /nfs/dbraw/zinc/94/24/82/358942482.db2.gz YFZPZTWRXSLCIC-ZWNOBZJWSA-N 1 2 249.314 0.837 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000628475067 358947957 /nfs/dbraw/zinc/94/79/57/358947957.db2.gz DTBKHHDUESYFIK-MRVPVSSYSA-N 1 2 216.256 0.065 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000628475067 358947962 /nfs/dbraw/zinc/94/79/62/358947962.db2.gz DTBKHHDUESYFIK-MRVPVSSYSA-N 1 2 216.256 0.065 20 0 BCADLO COCCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000177781515 134300034 /nfs/dbraw/zinc/30/00/34/134300034.db2.gz KTGVTPCDPAMIRH-SECBINFHSA-N 1 2 223.276 0.523 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000069637819 359030401 /nfs/dbraw/zinc/03/04/01/359030401.db2.gz GXDWUHUIYJCGGN-UHFFFAOYSA-N 1 2 204.233 0.641 20 0 BCADLO CCOCC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000070017280 359039235 /nfs/dbraw/zinc/03/92/35/359039235.db2.gz QZHURZNNXQUVAA-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000070017280 359039238 /nfs/dbraw/zinc/03/92/38/359039238.db2.gz QZHURZNNXQUVAA-VIFPVBQESA-N 1 2 223.338 0.388 20 0 BCADLO CC(C)(O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000070939965 359066070 /nfs/dbraw/zinc/06/60/70/359066070.db2.gz WWRCPXRNUPUFNX-LBPRGKRZSA-N 1 2 242.363 0.554 20 0 BCADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)n1cccn1 ZINC000070651595 359062098 /nfs/dbraw/zinc/06/20/98/359062098.db2.gz WLCKLUJNZYMRBZ-MRVPVSSYSA-N 1 2 219.248 0.484 20 0 BCADLO O=C(Cc1ccncc1)NCc1[nH]cc[nH+]1 ZINC000070819612 359064339 /nfs/dbraw/zinc/06/43/39/359064339.db2.gz UOQITXAHXRAPBN-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCNC(=O)C2)cc[nH+]1 ZINC000074666241 359123241 /nfs/dbraw/zinc/12/32/41/359123241.db2.gz GBAHXLNIIGMNNY-SECBINFHSA-N 1 2 233.271 0.855 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@@H](C)CO ZINC000611235905 359188267 /nfs/dbraw/zinc/18/82/67/359188267.db2.gz UQHOMZDXMNFKOL-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@@H](C)CO ZINC000611235905 359188272 /nfs/dbraw/zinc/18/82/72/359188272.db2.gz UQHOMZDXMNFKOL-MNOVXSKESA-N 1 2 247.335 0.513 20 0 BCADLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000246618671 359152479 /nfs/dbraw/zinc/15/24/79/359152479.db2.gz NOFCAOVQSBHMKS-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000246618671 359152481 /nfs/dbraw/zinc/15/24/81/359152481.db2.gz NOFCAOVQSBHMKS-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO CCOC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246730364 359159715 /nfs/dbraw/zinc/15/97/15/359159715.db2.gz GEKALKJURVOJGI-NXEZZACHSA-N 1 2 245.344 0.756 20 0 BCADLO CCOC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246730364 359159720 /nfs/dbraw/zinc/15/97/20/359159720.db2.gz GEKALKJURVOJGI-NXEZZACHSA-N 1 2 245.344 0.756 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOC(C)C ZINC000247538162 359231153 /nfs/dbraw/zinc/23/11/53/359231153.db2.gz QLEPEPLYJCBSLR-MNOVXSKESA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOC(C)C ZINC000247538162 359231157 /nfs/dbraw/zinc/23/11/57/359231157.db2.gz QLEPEPLYJCBSLR-MNOVXSKESA-N 1 2 245.319 0.674 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC1(C)C ZINC000623447063 359338968 /nfs/dbraw/zinc/33/89/68/359338968.db2.gz BMNNXAGLJRCEES-UWVGGRQHSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC1(C)C ZINC000623447063 359338974 /nfs/dbraw/zinc/33/89/74/359338974.db2.gz BMNNXAGLJRCEES-UWVGGRQHSA-N 1 2 241.335 0.415 20 0 BCADLO COC(=O)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000611524939 359390246 /nfs/dbraw/zinc/39/02/46/359390246.db2.gz SJMQWCXTVMFBQW-UHFFFAOYSA-N 1 2 247.258 0.272 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@H](C)OC ZINC000611790181 359452092 /nfs/dbraw/zinc/45/20/92/359452092.db2.gz KOBBCBGAKZFHEH-WDEREUQCSA-N 1 2 247.335 0.920 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@H](C)OC ZINC000611790181 359452095 /nfs/dbraw/zinc/45/20/95/359452095.db2.gz KOBBCBGAKZFHEH-WDEREUQCSA-N 1 2 247.335 0.920 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611961500 359514336 /nfs/dbraw/zinc/51/43/36/359514336.db2.gz KMWWNLCDKLPEIQ-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000580436385 359554845 /nfs/dbraw/zinc/55/48/45/359554845.db2.gz VBCFILHMYSDWAJ-DTWKUNHWSA-N 1 2 238.291 0.085 20 0 BCADLO COCc1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000580461972 359568967 /nfs/dbraw/zinc/56/89/67/359568967.db2.gz LVRHROWSWHKSOX-SFYZADRCSA-N 1 2 241.291 0.465 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1O ZINC000306320932 359606007 /nfs/dbraw/zinc/60/60/07/359606007.db2.gz WWFUSSXWKUEALY-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1O ZINC000306320932 359606013 /nfs/dbraw/zinc/60/60/13/359606013.db2.gz WWFUSSXWKUEALY-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612064867 359629568 /nfs/dbraw/zinc/62/95/68/359629568.db2.gz YRRHHHQZGAOSQC-LBPRGKRZSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612064867 359629573 /nfs/dbraw/zinc/62/95/73/359629573.db2.gz YRRHHHQZGAOSQC-LBPRGKRZSA-N 1 2 249.314 0.887 20 0 BCADLO CC(C)c1nc(N2CC(=O)N[C@@H](C)C2)cc[nH+]1 ZINC000450783641 202266301 /nfs/dbraw/zinc/26/63/01/202266301.db2.gz DLNJPCAXRMCCIO-VIFPVBQESA-N 1 2 234.303 0.925 20 0 BCADLO CO[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H]1O ZINC000450823502 202275094 /nfs/dbraw/zinc/27/50/94/202275094.db2.gz VEVKBHMCLZRLIN-NXEZZACHSA-N 1 2 237.303 0.796 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CC(=O)N2)c(C)[nH+]1 ZINC000612226934 359740827 /nfs/dbraw/zinc/74/08/27/359740827.db2.gz OWVNPTXEKIDJGW-SECBINFHSA-N 1 2 219.244 0.525 20 0 BCADLO Cc1ccc(NC(=O)C[C@@H]2CC(=O)N2)c(C)[nH+]1 ZINC000612227923 359740959 /nfs/dbraw/zinc/74/09/59/359740959.db2.gz ZCVLISKCSGJFLX-VIFPVBQESA-N 1 2 233.271 0.916 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000633558220 359773588 /nfs/dbraw/zinc/77/35/88/359773588.db2.gz STBGJJNQDWLPSD-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO COC(=O)C1(C[N@H+](CCO)CC(F)F)CC1 ZINC000450892657 202299714 /nfs/dbraw/zinc/29/97/14/202299714.db2.gz PICSWOKATODMBW-UHFFFAOYSA-N 1 2 237.246 0.499 20 0 BCADLO COC(=O)C1(C[N@@H+](CCO)CC(F)F)CC1 ZINC000450892657 202299715 /nfs/dbraw/zinc/29/97/15/202299715.db2.gz PICSWOKATODMBW-UHFFFAOYSA-N 1 2 237.246 0.499 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000450890161 202300970 /nfs/dbraw/zinc/30/09/70/202300970.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450890161 202300973 /nfs/dbraw/zinc/30/09/73/202300973.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000450890161 202300977 /nfs/dbraw/zinc/30/09/77/202300977.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450890161 202300980 /nfs/dbraw/zinc/30/09/80/202300980.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450890161 202300981 /nfs/dbraw/zinc/30/09/81/202300981.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450890161 202300984 /nfs/dbraw/zinc/30/09/84/202300984.db2.gz UJNVUKJFPRHTIP-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO Cc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000450926266 202311536 /nfs/dbraw/zinc/31/15/36/202311536.db2.gz WTLDOJHNKXFXEK-DTWKUNHWSA-N 1 2 220.276 0.851 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351953006 366547428 /nfs/dbraw/zinc/54/74/28/366547428.db2.gz ZYBFGTODQZVNDU-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351953006 366547431 /nfs/dbraw/zinc/54/74/31/366547431.db2.gz ZYBFGTODQZVNDU-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO C[C@H](C(=O)N1C[C@@H]2C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000628509541 359802926 /nfs/dbraw/zinc/80/29/26/359802926.db2.gz NFZATDCKHHKWAN-UTUOFQBUSA-N 1 2 237.347 0.101 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(OCC(F)F)C1 ZINC000578409996 366559404 /nfs/dbraw/zinc/55/94/04/366559404.db2.gz YVIPKHVQMGLLFX-UHFFFAOYSA-N 1 2 245.229 0.376 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cnn[nH]1 ZINC000450979375 202324576 /nfs/dbraw/zinc/32/45/76/202324576.db2.gz ACMKRLBTTFXJHY-CMPLNLGQSA-N 1 2 235.335 0.863 20 0 BCADLO CCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000578451410 366572164 /nfs/dbraw/zinc/57/21/64/366572164.db2.gz DSMILTWKLSSQIU-JTQLQIEISA-N 1 2 239.319 0.819 20 0 BCADLO CCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000578451410 366572172 /nfs/dbraw/zinc/57/21/72/366572172.db2.gz DSMILTWKLSSQIU-JTQLQIEISA-N 1 2 239.319 0.819 20 0 BCADLO CC(C)(NC(=O)[C@@H]1CC[C@@H](O)C1)c1[nH]cc[nH+]1 ZINC000578515240 366586244 /nfs/dbraw/zinc/58/62/44/366586244.db2.gz PWHSOTFPYAYNKJ-RKDXNWHRSA-N 1 2 237.303 0.922 20 0 BCADLO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060949 202343187 /nfs/dbraw/zinc/34/31/87/202343187.db2.gz KMBHUKZNHGQMFU-NTZNESFSSA-N 1 2 249.362 0.967 20 0 BCADLO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cnn[nH]2)C[C@@H](C)C1 ZINC000451060949 202343190 /nfs/dbraw/zinc/34/31/90/202343190.db2.gz KMBHUKZNHGQMFU-NTZNESFSSA-N 1 2 249.362 0.967 20 0 BCADLO CC(C)N(CC[N@@H+]1CCO[C@H](C)C1)C1COC1 ZINC000451121251 202357465 /nfs/dbraw/zinc/35/74/65/202357465.db2.gz QFIQLCCEIXYZMQ-GFCCVEGCSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)N(CC[N@H+]1CCO[C@H](C)C1)C1COC1 ZINC000451121251 202357470 /nfs/dbraw/zinc/35/74/70/202357470.db2.gz QFIQLCCEIXYZMQ-GFCCVEGCSA-N 1 2 242.363 0.816 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451191480 202370350 /nfs/dbraw/zinc/37/03/50/202370350.db2.gz RNFUQXDTYKCXIV-SECBINFHSA-N 1 2 202.273 0.947 20 0 BCADLO CCCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451191480 202370355 /nfs/dbraw/zinc/37/03/55/202370355.db2.gz RNFUQXDTYKCXIV-SECBINFHSA-N 1 2 202.273 0.947 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000578611621 366608002 /nfs/dbraw/zinc/60/80/02/366608002.db2.gz USBJBRXFEWYRMS-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000578611621 366608011 /nfs/dbraw/zinc/60/80/11/366608011.db2.gz USBJBRXFEWYRMS-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cnc(N)s1 ZINC000088094668 359937452 /nfs/dbraw/zinc/93/74/52/359937452.db2.gz FCRAALFBACGKFN-JGVFFNPUSA-N 1 2 243.332 0.307 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cnc(N)s1 ZINC000088094668 359937456 /nfs/dbraw/zinc/93/74/56/359937456.db2.gz FCRAALFBACGKFN-JGVFFNPUSA-N 1 2 243.332 0.307 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000088619480 359970367 /nfs/dbraw/zinc/97/03/67/359970367.db2.gz ZQRORVQAOALOBZ-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](O)C1 ZINC000088619480 359970369 /nfs/dbraw/zinc/97/03/69/359970369.db2.gz ZQRORVQAOALOBZ-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@@H](O)C1 ZINC000612639872 359972145 /nfs/dbraw/zinc/97/21/45/359972145.db2.gz RMPSGMSQYUZLQW-JGZJWPJOSA-N 1 2 249.314 0.401 20 0 BCADLO CCn1c(C)nnc1N1CCn2cc[nH+]c2C1 ZINC000578928679 366675304 /nfs/dbraw/zinc/67/53/04/366675304.db2.gz HNLQTYMFYTZYMA-UHFFFAOYSA-N 1 2 232.291 0.823 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000578947515 366677376 /nfs/dbraw/zinc/67/73/76/366677376.db2.gz KOJAFSSEXBIIOJ-LLVKDONJSA-N 1 2 249.314 0.683 20 0 BCADLO Cc1cccc(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000578947515 366677383 /nfs/dbraw/zinc/67/73/83/366677383.db2.gz KOJAFSSEXBIIOJ-LLVKDONJSA-N 1 2 249.314 0.683 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678960 360033440 /nfs/dbraw/zinc/03/34/40/360033440.db2.gz ZKBJBLBBRRZXKK-VHSXEESVSA-N 1 2 240.347 0.746 20 0 BCADLO Cc1cc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(C)c[nH+]1 ZINC000612747580 360040342 /nfs/dbraw/zinc/04/03/42/360040342.db2.gz QIQMLGUDBAWYBG-IAZYJMLFSA-N 1 2 232.283 0.951 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nn1C ZINC000089205159 360001282 /nfs/dbraw/zinc/00/12/82/360001282.db2.gz RUHAUMPBJLWJSG-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)nn1C ZINC000089205159 360001287 /nfs/dbraw/zinc/00/12/87/360001287.db2.gz RUHAUMPBJLWJSG-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007230 360053007 /nfs/dbraw/zinc/05/30/07/360053007.db2.gz LVJPUGXVRIOBMR-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007230 360053009 /nfs/dbraw/zinc/05/30/09/360053009.db2.gz LVJPUGXVRIOBMR-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008146 360053394 /nfs/dbraw/zinc/05/33/94/360053394.db2.gz MQSXXDJPUODMGH-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008146 360053398 /nfs/dbraw/zinc/05/33/98/360053398.db2.gz MQSXXDJPUODMGH-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009116 360054035 /nfs/dbraw/zinc/05/40/35/360054035.db2.gz NIIHIMVEOBSBLK-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009116 360054036 /nfs/dbraw/zinc/05/40/36/360054036.db2.gz NIIHIMVEOBSBLK-LLVKDONJSA-N 1 2 226.320 0.622 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612793017 360060131 /nfs/dbraw/zinc/06/01/31/360060131.db2.gz CBCSJYOBSICHOV-SCZZXKLOSA-N 1 2 249.314 0.998 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612793017 360060134 /nfs/dbraw/zinc/06/01/34/360060134.db2.gz CBCSJYOBSICHOV-SCZZXKLOSA-N 1 2 249.314 0.998 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612793421 360060263 /nfs/dbraw/zinc/06/02/63/360060263.db2.gz JKVABAMUUCHAIY-MWLCHTKSSA-N 1 2 249.314 0.929 20 0 BCADLO CCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698414 360084215 /nfs/dbraw/zinc/08/42/15/360084215.db2.gz QTHIRPVOCNORTE-NSHDSACASA-N 1 2 225.336 0.293 20 0 BCADLO CC(C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698418 360084482 /nfs/dbraw/zinc/08/44/82/360084482.db2.gz MEGDTPLSZMDVHT-NSHDSACASA-N 1 2 225.336 0.149 20 0 BCADLO COCCCOCC[N@H+](C)[C@H](C)C(=O)OC ZINC000091102002 360105001 /nfs/dbraw/zinc/10/50/01/360105001.db2.gz ABQCVOBNEHOMCX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO COCCCOCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000091102002 360105005 /nfs/dbraw/zinc/10/50/05/360105005.db2.gz ABQCVOBNEHOMCX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccnn1C ZINC000092042280 360147251 /nfs/dbraw/zinc/14/72/51/360147251.db2.gz SOBDXFASZMHVFA-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccnn1C ZINC000092042280 360147254 /nfs/dbraw/zinc/14/72/54/360147254.db2.gz SOBDXFASZMHVFA-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N1CCO[C@H](C)C1 ZINC000091506408 360118699 /nfs/dbraw/zinc/11/86/99/360118699.db2.gz OIIDEUMAGHDKTL-NWDGAFQWSA-N 1 2 228.336 0.428 20 0 BCADLO c1[nH]c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000091927203 360136192 /nfs/dbraw/zinc/13/61/92/360136192.db2.gz YVNUDSFIKSYXBU-RYUDHWBXSA-N 1 2 237.303 0.790 20 0 BCADLO CCC[N@H+](CC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000612912954 360183802 /nfs/dbraw/zinc/18/38/02/360183802.db2.gz CFSYJYONMOQPDC-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO CCC[N@@H+](CC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000612912954 360183805 /nfs/dbraw/zinc/18/38/05/360183805.db2.gz CFSYJYONMOQPDC-JTQLQIEISA-N 1 2 233.333 0.475 20 0 BCADLO C[C@H]1C[C@H](C)C[NH+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617141 360184640 /nfs/dbraw/zinc/18/46/40/360184640.db2.gz NNGSNPBJDFZLJX-YUMQZZPRSA-N 1 2 210.281 0.576 20 0 BCADLO CSCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092643072 360186733 /nfs/dbraw/zinc/18/67/33/360186733.db2.gz GZQBUKFHEBIKBT-SSDOTTSWSA-N 1 2 230.337 0.671 20 0 BCADLO CSCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092643072 360186735 /nfs/dbraw/zinc/18/67/35/360186735.db2.gz GZQBUKFHEBIKBT-SSDOTTSWSA-N 1 2 230.337 0.671 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@H]2N1 ZINC000092703198 360191290 /nfs/dbraw/zinc/19/12/90/360191290.db2.gz JPAFGDZNAWRGDR-MNOVXSKESA-N 1 2 234.303 0.653 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)[C@H]2CCCC[C@H]2N1 ZINC000092703198 360191291 /nfs/dbraw/zinc/19/12/91/360191291.db2.gz JPAFGDZNAWRGDR-MNOVXSKESA-N 1 2 234.303 0.653 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735728 360192739 /nfs/dbraw/zinc/19/27/39/360192739.db2.gz DEVJJOYTNBVEGY-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735728 360192744 /nfs/dbraw/zinc/19/27/44/360192744.db2.gz DEVJJOYTNBVEGY-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000093083030 360215362 /nfs/dbraw/zinc/21/53/62/360215362.db2.gz VEBPGFBSBBBLPO-NSHDSACASA-N 1 2 241.287 0.207 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000093083030 360215364 /nfs/dbraw/zinc/21/53/64/360215364.db2.gz VEBPGFBSBBBLPO-NSHDSACASA-N 1 2 241.287 0.207 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CC1=CCCOC1 ZINC000093384980 360237053 /nfs/dbraw/zinc/23/70/53/360237053.db2.gz HUHYPULKDSVTON-JTQLQIEISA-N 1 2 247.360 0.698 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CC1=CCCOC1 ZINC000093384980 360237056 /nfs/dbraw/zinc/23/70/56/360237056.db2.gz HUHYPULKDSVTON-JTQLQIEISA-N 1 2 247.360 0.698 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnnn1C ZINC000093417740 360241062 /nfs/dbraw/zinc/24/10/62/360241062.db2.gz GDKVSLXNIGGIEA-BDAKNGLRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnnn1C ZINC000093417740 360241066 /nfs/dbraw/zinc/24/10/66/360241066.db2.gz GDKVSLXNIGGIEA-BDAKNGLRSA-N 1 2 210.281 0.424 20 0 BCADLO NC(=O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000105998530 181300367 /nfs/dbraw/zinc/30/03/67/181300367.db2.gz DQHYKVQDDACQKH-UHFFFAOYSA-N 1 2 245.286 0.879 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H](O)C2CC2)C1 ZINC000613008872 360270917 /nfs/dbraw/zinc/27/09/17/360270917.db2.gz ODVAANOYKWKVFU-GHMZBOCLSA-N 1 2 249.314 0.507 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCOCCO ZINC000096731003 360353519 /nfs/dbraw/zinc/35/35/19/360353519.db2.gz PJLWFVFBDJEMKK-NSHDSACASA-N 1 2 245.319 0.413 20 0 BCADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCOCCO ZINC000096731003 360353521 /nfs/dbraw/zinc/35/35/21/360353521.db2.gz PJLWFVFBDJEMKK-NSHDSACASA-N 1 2 245.319 0.413 20 0 BCADLO CO[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000613087140 360348789 /nfs/dbraw/zinc/34/87/89/360348789.db2.gz UOKRHBWXCLMJKQ-IUCAKERBSA-N 1 2 236.271 0.963 20 0 BCADLO CC(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096641814 360351389 /nfs/dbraw/zinc/35/13/89/360351389.db2.gz TZAQFIINKODIGP-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO COC1(C)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000613158698 360456950 /nfs/dbraw/zinc/45/69/50/360456950.db2.gz GWVPYSFGZKBMDQ-VIFPVBQESA-N 1 2 249.314 0.762 20 0 BCADLO COC1(C)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000613158698 360456951 /nfs/dbraw/zinc/45/69/51/360456951.db2.gz GWVPYSFGZKBMDQ-VIFPVBQESA-N 1 2 249.314 0.762 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCCC1 ZINC000054343981 360501947 /nfs/dbraw/zinc/50/19/47/360501947.db2.gz KFWCEXHWNKJPMS-NWDGAFQWSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCCC1 ZINC000054343981 360501952 /nfs/dbraw/zinc/50/19/52/360501952.db2.gz KFWCEXHWNKJPMS-NWDGAFQWSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)nc[nH+]1 ZINC000381042424 360557624 /nfs/dbraw/zinc/55/76/24/360557624.db2.gz CNVFVTTWBKUUMK-RKDXNWHRSA-N 1 2 241.316 0.773 20 0 BCADLO C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000628911944 360744722 /nfs/dbraw/zinc/74/47/22/360744722.db2.gz DMRNVDBNYXCCPW-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000628911944 360744725 /nfs/dbraw/zinc/74/47/25/360744725.db2.gz DMRNVDBNYXCCPW-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[C@@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912130 360744752 /nfs/dbraw/zinc/74/47/52/360744752.db2.gz BJSJQDPQOQTXPK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912130 360744759 /nfs/dbraw/zinc/74/47/59/360744759.db2.gz BJSJQDPQOQTXPK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912755 360745806 /nfs/dbraw/zinc/74/58/06/360745806.db2.gz GZBNVMCVROBFRK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912755 360745811 /nfs/dbraw/zinc/74/58/11/360745811.db2.gz GZBNVMCVROBFRK-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914594 360748325 /nfs/dbraw/zinc/74/83/25/360748325.db2.gz KBWGFEJSZBGJMM-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914594 360748329 /nfs/dbraw/zinc/74/83/29/360748329.db2.gz KBWGFEJSZBGJMM-WDEREUQCSA-N 1 2 228.336 0.869 20 0 BCADLO COCC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917051 360748612 /nfs/dbraw/zinc/74/86/12/360748612.db2.gz IYBJYVXIBFLNIM-JTQLQIEISA-N 1 2 244.335 0.106 20 0 BCADLO COCC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917051 360748617 /nfs/dbraw/zinc/74/86/17/360748617.db2.gz IYBJYVXIBFLNIM-JTQLQIEISA-N 1 2 244.335 0.106 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC000628915548 360750316 /nfs/dbraw/zinc/75/03/16/360750316.db2.gz XYVDINDEGFZVAE-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC000628915548 360750320 /nfs/dbraw/zinc/75/03/20/360750320.db2.gz XYVDINDEGFZVAE-NSHDSACASA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC000628915547 360750454 /nfs/dbraw/zinc/75/04/54/360750454.db2.gz XYVDINDEGFZVAE-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC000628915547 360750457 /nfs/dbraw/zinc/75/04/57/360750457.db2.gz XYVDINDEGFZVAE-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1ncccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916043 360751040 /nfs/dbraw/zinc/75/10/40/360751040.db2.gz GAXMJVXBRJILDP-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916043 360751043 /nfs/dbraw/zinc/75/10/43/360751043.db2.gz GAXMJVXBRJILDP-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918572 360751061 /nfs/dbraw/zinc/75/10/61/360751061.db2.gz REHGFHOOKNWRBP-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918572 360751065 /nfs/dbraw/zinc/75/10/65/360751065.db2.gz REHGFHOOKNWRBP-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CCC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917774 360753161 /nfs/dbraw/zinc/75/31/61/360753161.db2.gz BNUXDIPCWZXJHC-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO CCC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917774 360753163 /nfs/dbraw/zinc/75/31/63/360753163.db2.gz BNUXDIPCWZXJHC-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC1 ZINC000628923433 360755238 /nfs/dbraw/zinc/75/52/38/360755238.db2.gz SZXZARAYRXHMBE-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1CC1 ZINC000628923433 360755240 /nfs/dbraw/zinc/75/52/40/360755240.db2.gz SZXZARAYRXHMBE-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925435 360758252 /nfs/dbraw/zinc/75/82/52/360758252.db2.gz HZQQDXDIMCNLPE-BBBLOLIVSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925435 360758255 /nfs/dbraw/zinc/75/82/55/360758255.db2.gz HZQQDXDIMCNLPE-BBBLOLIVSA-N 1 2 212.293 0.089 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC000628926006 360758330 /nfs/dbraw/zinc/75/83/30/360758330.db2.gz MZGSMGPAWLBOFZ-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC000628926006 360758332 /nfs/dbraw/zinc/75/83/32/360758332.db2.gz MZGSMGPAWLBOFZ-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925137 360758405 /nfs/dbraw/zinc/75/84/05/360758405.db2.gz GWEVAMYYJDGNES-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925137 360758407 /nfs/dbraw/zinc/75/84/07/360758407.db2.gz GWEVAMYYJDGNES-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000628925165 360758529 /nfs/dbraw/zinc/75/85/29/360758529.db2.gz HUIFYHFIKUNXKQ-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000628925165 360758533 /nfs/dbraw/zinc/75/85/33/360758533.db2.gz HUIFYHFIKUNXKQ-NWDGAFQWSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC000628926901 360759456 /nfs/dbraw/zinc/75/94/56/360759456.db2.gz YLPBIDOFSYKUAS-NSHDSACASA-N 1 2 235.287 0.142 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC000628926901 360759459 /nfs/dbraw/zinc/75/94/59/360759459.db2.gz YLPBIDOFSYKUAS-NSHDSACASA-N 1 2 235.287 0.142 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC(=O)C1CCCC1 ZINC000628989996 360783704 /nfs/dbraw/zinc/78/37/04/360783704.db2.gz IYLJAIJBLVKRAD-UHFFFAOYSA-N 1 2 235.287 0.759 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H](CCF)C1 ZINC000629012138 360794365 /nfs/dbraw/zinc/79/43/65/360794365.db2.gz FDGAWRHEKDKSKZ-SNVBAGLBSA-N 1 2 241.266 0.470 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000153888793 360780601 /nfs/dbraw/zinc/78/06/01/360780601.db2.gz NEUUXWJLGIBJHY-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000153888793 360780602 /nfs/dbraw/zinc/78/06/02/360780602.db2.gz NEUUXWJLGIBJHY-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO C/C=C/CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000629034824 360822197 /nfs/dbraw/zinc/82/21/97/360822197.db2.gz YNYSSBDKRHHCED-MVIFTORASA-N 1 2 236.319 0.715 20 0 BCADLO CC[C@H](C)[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000451831850 202484434 /nfs/dbraw/zinc/48/44/34/202484434.db2.gz BHQWPHMEWFCSFB-VIFPVBQESA-N 1 2 239.323 0.426 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629130334 360894667 /nfs/dbraw/zinc/89/46/67/360894667.db2.gz IKFQQLLDDDJGLY-RYUDHWBXSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@H]1CCN(C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000632578098 361033289 /nfs/dbraw/zinc/03/32/89/361033289.db2.gz NEYXOLCYBKAUKT-QWRGUYRKSA-N 1 2 241.335 0.057 20 0 BCADLO C[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000632578098 361033293 /nfs/dbraw/zinc/03/32/93/361033293.db2.gz NEYXOLCYBKAUKT-QWRGUYRKSA-N 1 2 241.335 0.057 20 0 BCADLO COCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180141 200877407 /nfs/dbraw/zinc/87/74/07/200877407.db2.gz UTPPWOLIQUBQEO-QMMMGPOBSA-N 1 2 236.262 0.384 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640476310 361249919 /nfs/dbraw/zinc/24/99/19/361249919.db2.gz LTOSOMSZKPRQCP-VAOFZXAKSA-N 1 2 223.276 0.760 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640476310 361249923 /nfs/dbraw/zinc/24/99/23/361249923.db2.gz LTOSOMSZKPRQCP-VAOFZXAKSA-N 1 2 223.276 0.760 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640476308 361250257 /nfs/dbraw/zinc/25/02/57/361250257.db2.gz LTOSOMSZKPRQCP-LAEOZQHASA-N 1 2 223.276 0.760 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640476308 361250261 /nfs/dbraw/zinc/25/02/61/361250261.db2.gz LTOSOMSZKPRQCP-LAEOZQHASA-N 1 2 223.276 0.760 20 0 BCADLO [NH3+]C1(C(=O)Nc2nc3ccccc3[nH]2)CC1 ZINC000083836110 181326216 /nfs/dbraw/zinc/32/62/16/181326216.db2.gz AHHPPHLMPKODOR-UHFFFAOYSA-N 1 2 216.244 0.415 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640485564 361279269 /nfs/dbraw/zinc/27/92/69/361279269.db2.gz ICHUBBVWGYGAGV-KWQFWETISA-N 1 2 222.292 0.495 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640485564 361279274 /nfs/dbraw/zinc/27/92/74/361279274.db2.gz ICHUBBVWGYGAGV-KWQFWETISA-N 1 2 222.292 0.495 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488708 361281764 /nfs/dbraw/zinc/28/17/64/361281764.db2.gz VOEVAJXTBYMGRX-BXKDBHETSA-N 1 2 236.319 0.600 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488708 361281767 /nfs/dbraw/zinc/28/17/67/361281767.db2.gz VOEVAJXTBYMGRX-BXKDBHETSA-N 1 2 236.319 0.600 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000640479177 361259788 /nfs/dbraw/zinc/25/97/88/361259788.db2.gz XTWRDKLOUCFEHZ-CABZTGNLSA-N 1 2 247.254 0.896 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000640479177 361259790 /nfs/dbraw/zinc/25/97/90/361259790.db2.gz XTWRDKLOUCFEHZ-CABZTGNLSA-N 1 2 247.254 0.896 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640481704 361266639 /nfs/dbraw/zinc/26/66/39/361266639.db2.gz NPNBJLYOTRZGNP-LAEOZQHASA-N 1 2 239.275 0.344 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640481704 361266642 /nfs/dbraw/zinc/26/66/42/361266642.db2.gz NPNBJLYOTRZGNP-LAEOZQHASA-N 1 2 239.275 0.344 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H](O)COC(C)C)C(=O)OC ZINC000428298173 201006867 /nfs/dbraw/zinc/00/68/67/201006867.db2.gz DOYRQUULULCKDH-PWSUYJOCSA-N 1 2 247.335 0.704 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](O)COC(C)C)C(=O)OC ZINC000428298172 201007666 /nfs/dbraw/zinc/00/76/66/201007666.db2.gz DOYRQUULULCKDH-JQWIXIFHSA-N 1 2 247.335 0.704 20 0 BCADLO CCOC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000579127735 366718870 /nfs/dbraw/zinc/71/88/70/366718870.db2.gz FRGYMERZNGEILA-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO CCOC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000579127735 366718874 /nfs/dbraw/zinc/71/88/74/366718874.db2.gz FRGYMERZNGEILA-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)s1 ZINC000381291943 361318085 /nfs/dbraw/zinc/31/80/85/361318085.db2.gz DLFWIDLUFJAIJY-MUWHJKNJSA-N 1 2 240.332 0.461 20 0 BCADLO CCc1nc(C)c(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000428294064 201005032 /nfs/dbraw/zinc/00/50/32/201005032.db2.gz KONLOHJSUFIGJW-SECBINFHSA-N 1 2 237.303 0.866 20 0 BCADLO CCc1nc(C)c(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000428294064 201005035 /nfs/dbraw/zinc/00/50/35/201005035.db2.gz KONLOHJSUFIGJW-SECBINFHSA-N 1 2 237.303 0.866 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)ncn1 ZINC000428293088 201005411 /nfs/dbraw/zinc/00/54/11/201005411.db2.gz FOSIFTVGQNRHRM-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ncn1 ZINC000428293088 201005414 /nfs/dbraw/zinc/00/54/14/201005414.db2.gz FOSIFTVGQNRHRM-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)ncn1 ZINC000428293087 201005533 /nfs/dbraw/zinc/00/55/33/201005533.db2.gz FOSIFTVGQNRHRM-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)ncn1 ZINC000428293087 201005535 /nfs/dbraw/zinc/00/55/35/201005535.db2.gz FOSIFTVGQNRHRM-JTQLQIEISA-N 1 2 220.276 0.105 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428478122 201024237 /nfs/dbraw/zinc/02/42/37/201024237.db2.gz CDXSRMPGTDIQHB-JTQLQIEISA-N 1 2 240.307 0.350 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428478122 201024240 /nfs/dbraw/zinc/02/42/40/201024240.db2.gz CDXSRMPGTDIQHB-JTQLQIEISA-N 1 2 240.307 0.350 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000428485469 201025012 /nfs/dbraw/zinc/02/50/12/201025012.db2.gz BAIQMURVQGBKEN-UHFFFAOYSA-N 1 2 211.290 0.247 20 0 BCADLO CNC(=O)C[N@H+]1CCc2ncsc2C1 ZINC000428485469 201025015 /nfs/dbraw/zinc/02/50/15/201025015.db2.gz BAIQMURVQGBKEN-UHFFFAOYSA-N 1 2 211.290 0.247 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000332994184 361322492 /nfs/dbraw/zinc/32/24/92/361322492.db2.gz CNRIHPWCVDDKAB-MFKMUULPSA-N 1 2 249.314 0.883 20 0 BCADLO CCc1nnc(C[NH2+]Cc2snnc2C)[nH]1 ZINC000394752523 361335029 /nfs/dbraw/zinc/33/50/29/361335029.db2.gz VTUPMHOTRGJETM-UHFFFAOYSA-N 1 2 238.320 0.817 20 0 BCADLO CCOC1(C)CC[NH+](Cc2nnnn2C)CC1 ZINC000428746531 201040603 /nfs/dbraw/zinc/04/06/03/201040603.db2.gz HXEUCOXHJBVAOO-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO NC(=O)C1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000614277003 363769093 /nfs/dbraw/zinc/76/90/93/363769093.db2.gz ZJZRGAWKQUNLDP-UHFFFAOYSA-N 1 2 244.254 0.538 20 0 BCADLO COC(=O)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000428949276 201052227 /nfs/dbraw/zinc/05/22/27/201052227.db2.gz XDSQXVNOCICKQP-UHFFFAOYSA-N 1 2 242.319 0.398 20 0 BCADLO COC(=O)C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000428949276 201052230 /nfs/dbraw/zinc/05/22/30/201052230.db2.gz XDSQXVNOCICKQP-UHFFFAOYSA-N 1 2 242.319 0.398 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ncn1 ZINC000428968054 201054517 /nfs/dbraw/zinc/05/45/17/201054517.db2.gz YMKKLNWOJZXOCB-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ncn1 ZINC000428968054 201054521 /nfs/dbraw/zinc/05/45/21/201054521.db2.gz YMKKLNWOJZXOCB-NSHDSACASA-N 1 2 225.267 0.691 20 0 BCADLO C[N@@H+]1CC[C@]2(CCN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000429006604 201058283 /nfs/dbraw/zinc/05/82/83/201058283.db2.gz ILOSTTZWDLQKTH-NSHDSACASA-N 1 2 237.307 0.038 20 0 BCADLO C[N@H+]1CC[C@]2(CCN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000429006604 201058286 /nfs/dbraw/zinc/05/82/86/201058286.db2.gz ILOSTTZWDLQKTH-NSHDSACASA-N 1 2 237.307 0.038 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000579247446 366746942 /nfs/dbraw/zinc/74/69/42/366746942.db2.gz TUYYTSKNTOSTSB-KKZNHRDASA-N 1 2 237.303 0.882 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000579247446 366746951 /nfs/dbraw/zinc/74/69/51/366746951.db2.gz TUYYTSKNTOSTSB-KKZNHRDASA-N 1 2 237.303 0.882 20 0 BCADLO C([C@H]1CCCCO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429287575 201091128 /nfs/dbraw/zinc/09/11/28/201091128.db2.gz MZCVDEGWFCKHMY-SECBINFHSA-N 1 2 222.292 0.732 20 0 BCADLO C([C@H]1CCCCO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429287575 201091132 /nfs/dbraw/zinc/09/11/32/201091132.db2.gz MZCVDEGWFCKHMY-SECBINFHSA-N 1 2 222.292 0.732 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429289704 201094747 /nfs/dbraw/zinc/09/47/47/201094747.db2.gz YQTPFIZIEKXDBJ-UHFFFAOYSA-N 1 2 238.291 0.506 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000429289704 201094750 /nfs/dbraw/zinc/09/47/50/201094750.db2.gz YQTPFIZIEKXDBJ-UHFFFAOYSA-N 1 2 238.291 0.506 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000429317030 201098222 /nfs/dbraw/zinc/09/82/22/201098222.db2.gz KBBJQJLIEKNTBR-RNLVFQAGSA-N 1 2 226.280 0.244 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000429317030 201098225 /nfs/dbraw/zinc/09/82/25/201098225.db2.gz KBBJQJLIEKNTBR-RNLVFQAGSA-N 1 2 226.280 0.244 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557118 201115490 /nfs/dbraw/zinc/11/54/90/201115490.db2.gz GJMXPTALPNLPNT-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557118 201115494 /nfs/dbraw/zinc/11/54/94/201115494.db2.gz GJMXPTALPNLPNT-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO [NH3+][C@@H]1CCCCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629543425 361411007 /nfs/dbraw/zinc/41/10/07/361411007.db2.gz BECVGFBLDWRCDW-JHJVBQTASA-N 1 2 241.379 0.303 20 0 BCADLO COCCOCC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429560099 201115643 /nfs/dbraw/zinc/11/56/43/201115643.db2.gz MXCLRRIVVRGOAZ-MEDUHNTESA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429560099 201115646 /nfs/dbraw/zinc/11/56/46/201115646.db2.gz MXCLRRIVVRGOAZ-MEDUHNTESA-N 1 2 249.376 0.492 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000429721857 201130551 /nfs/dbraw/zinc/13/05/51/201130551.db2.gz HUXOOZZYJRAPQI-JTQLQIEISA-N 1 2 238.335 0.812 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000429721857 201130553 /nfs/dbraw/zinc/13/05/53/201130553.db2.gz HUXOOZZYJRAPQI-JTQLQIEISA-N 1 2 238.335 0.812 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000430130275 201146641 /nfs/dbraw/zinc/14/66/41/201146641.db2.gz JZGIXMSVXOKKFW-UHFFFAOYSA-N 1 2 247.302 0.427 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000430130275 201146644 /nfs/dbraw/zinc/14/66/44/201146644.db2.gz JZGIXMSVXOKKFW-UHFFFAOYSA-N 1 2 247.302 0.427 20 0 BCADLO CCC[C@@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000433193666 201165206 /nfs/dbraw/zinc/16/52/06/201165206.db2.gz SBMKIUIUJGAJCR-LLVKDONJSA-N 1 2 225.292 0.919 20 0 BCADLO O=C(CCOCC1CC1)NCc1[nH]cc[nH+]1 ZINC000434066726 201204085 /nfs/dbraw/zinc/20/40/85/201204085.db2.gz RBZNJYVGWALEPR-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1O ZINC000433767965 201193330 /nfs/dbraw/zinc/19/33/30/201193330.db2.gz ZTNNKQAOXMYYKV-MNOVXSKESA-N 1 2 248.330 0.894 20 0 BCADLO C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@@H]1O ZINC000433767965 201193331 /nfs/dbraw/zinc/19/33/31/201193331.db2.gz ZTNNKQAOXMYYKV-MNOVXSKESA-N 1 2 248.330 0.894 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551627 201227326 /nfs/dbraw/zinc/22/73/26/201227326.db2.gz CQSWMZDUEJFBLX-UTLUCORTSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CC(=O)N[C@H](C)C2)O1 ZINC000448551627 201227330 /nfs/dbraw/zinc/22/73/30/201227330.db2.gz CQSWMZDUEJFBLX-UTLUCORTSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[C@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000629673685 361596841 /nfs/dbraw/zinc/59/68/41/361596841.db2.gz CEWCBBRGDBYTGB-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO COCC1(O)C[NH+](Cc2sc(C)nc2C)C1 ZINC000448548995 201215374 /nfs/dbraw/zinc/21/53/74/201215374.db2.gz YTHCRQZGXVQPPO-UHFFFAOYSA-N 1 2 242.344 0.953 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434482083 201221337 /nfs/dbraw/zinc/22/13/37/201221337.db2.gz RFBQGFCLXRIPCL-VWYCJHECSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000434482083 201221339 /nfs/dbraw/zinc/22/13/39/201221339.db2.gz RFBQGFCLXRIPCL-VWYCJHECSA-N 1 2 247.360 0.530 20 0 BCADLO CCC[C@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000448553614 201253550 /nfs/dbraw/zinc/25/35/50/201253550.db2.gz CPWVLJWKTDSESO-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC1(O)CCCC1 ZINC000154197814 201267334 /nfs/dbraw/zinc/26/73/34/201267334.db2.gz BUWZTSFZQCUBRF-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC1(O)CCCC1 ZINC000154197814 201267336 /nfs/dbraw/zinc/26/73/36/201267336.db2.gz BUWZTSFZQCUBRF-UHFFFAOYSA-N 1 2 224.308 0.552 20 0 BCADLO CNc1ncnc2c1cnn2Cc1c[nH+]cn1C ZINC000435792304 201288848 /nfs/dbraw/zinc/28/88/48/201288848.db2.gz USAMZTSUICZQBL-UHFFFAOYSA-N 1 2 243.274 0.650 20 0 BCADLO OC1(C[NH+]2CC(OC(F)F)C2)CCC1 ZINC000435868314 201290978 /nfs/dbraw/zinc/29/09/78/201290978.db2.gz DFOFLKVKCSAIAM-UHFFFAOYSA-N 1 2 207.220 0.825 20 0 BCADLO CCC[C@H](OC)C(=O)NCC[NH+]1CCOCC1 ZINC000448561094 201274816 /nfs/dbraw/zinc/27/48/16/201274816.db2.gz LSKOPNUSDQJMKB-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO C(c1nnc2n1CCOC2)[NH+]1CCCCC1 ZINC000436101841 201311145 /nfs/dbraw/zinc/31/11/45/201311145.db2.gz MIJGGGUMEKVNGQ-UHFFFAOYSA-N 1 2 222.292 0.794 20 0 BCADLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000155081614 201301216 /nfs/dbraw/zinc/30/12/16/201301216.db2.gz YTJSCSVBRSFFCI-SNVBAGLBSA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000155081614 201301218 /nfs/dbraw/zinc/30/12/18/201301218.db2.gz YTJSCSVBRSFFCI-SNVBAGLBSA-N 1 2 241.335 0.051 20 0 BCADLO Cn1cc[nH+]c1CNc1cncc(OCCO)n1 ZINC000436296742 201320109 /nfs/dbraw/zinc/32/01/09/201320109.db2.gz KVEKHHVREHQGRU-UHFFFAOYSA-N 1 2 249.274 0.193 20 0 BCADLO COc1nccnc1C[NH2+]Cc1ccnn1C ZINC000436480324 201329153 /nfs/dbraw/zinc/32/91/53/201329153.db2.gz APIFEUQRSQDHDF-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CO[C@H]1C[C@@H](CNC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000629821113 361718105 /nfs/dbraw/zinc/71/81/05/361718105.db2.gz HNNXBQHKTLCPTD-DTORHVGOSA-N 1 2 223.276 0.873 20 0 BCADLO O=C(NCCF)c1cc(-n2cc[nH+]c2)ccn1 ZINC000437680445 201365490 /nfs/dbraw/zinc/36/54/90/201365490.db2.gz LUWRFNHUVCUVGW-UHFFFAOYSA-N 1 2 234.234 0.967 20 0 BCADLO C[C@@H]([NH2+]Cc1ncc[nH]1)[C@H](O)C(F)(F)F ZINC000631231829 361728710 /nfs/dbraw/zinc/72/87/10/361728710.db2.gz LHGSLZJHIALQBO-VDTYLAMSSA-N 1 2 223.198 0.811 20 0 BCADLO O=C(CCCF)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614510830 363834109 /nfs/dbraw/zinc/83/41/09/363834109.db2.gz CSLOYTBPTOCDGA-LLVKDONJSA-N 1 2 243.326 0.242 20 0 BCADLO O=C(CCCF)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614510830 363834112 /nfs/dbraw/zinc/83/41/12/363834112.db2.gz CSLOYTBPTOCDGA-LLVKDONJSA-N 1 2 243.326 0.242 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614544795 363841815 /nfs/dbraw/zinc/84/18/15/363841815.db2.gz BYKWFVFHLBXCCL-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614544795 363841820 /nfs/dbraw/zinc/84/18/20/363841820.db2.gz BYKWFVFHLBXCCL-SECBINFHSA-N 1 2 249.314 0.498 20 0 BCADLO COc1cc(NCc2[nH+]ccn2C)[nH]n1 ZINC000623627549 363845405 /nfs/dbraw/zinc/84/54/05/363845405.db2.gz CHRSPYCUJRUSKZ-UHFFFAOYSA-N 1 2 207.237 0.764 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCN1 ZINC000614735512 363945404 /nfs/dbraw/zinc/94/54/04/363945404.db2.gz XOWUKBFIEFYYDH-SECBINFHSA-N 1 2 234.303 0.642 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCN1 ZINC000614735512 363945408 /nfs/dbraw/zinc/94/54/08/363945408.db2.gz XOWUKBFIEFYYDH-SECBINFHSA-N 1 2 234.303 0.642 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCOC1 ZINC000614658586 363917320 /nfs/dbraw/zinc/91/73/20/363917320.db2.gz WUNUSDXEJKTCIV-SNVBAGLBSA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cn[nH]c1 ZINC000614662234 363918675 /nfs/dbraw/zinc/91/86/75/363918675.db2.gz SXVMBXIENOIRFU-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cn[nH]c1 ZINC000614662234 363918678 /nfs/dbraw/zinc/91/86/78/363918678.db2.gz SXVMBXIENOIRFU-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](O)C12CCC2 ZINC000619080617 363952633 /nfs/dbraw/zinc/95/26/33/363952633.db2.gz FVIXHJPKUAMZBQ-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614886260 364033294 /nfs/dbraw/zinc/03/32/94/364033294.db2.gz PDBKUWYFTWUOTP-YUMQZZPRSA-N 1 2 225.267 0.989 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614886260 364033297 /nfs/dbraw/zinc/03/32/97/364033297.db2.gz PDBKUWYFTWUOTP-YUMQZZPRSA-N 1 2 225.267 0.989 20 0 BCADLO C[NH+]1CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC000630388796 364105268 /nfs/dbraw/zinc/10/52/68/364105268.db2.gz MXCVQWXOQVPYTK-UHFFFAOYSA-N 1 2 245.326 0.887 20 0 BCADLO CCN(CC)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630399685 364127598 /nfs/dbraw/zinc/12/75/98/364127598.db2.gz VZKXWMKALZOMCR-UHFFFAOYSA-N 1 2 226.320 0.720 20 0 BCADLO Cc1nocc1C(=O)NCCCn1cc[nH+]c1 ZINC000630406105 364137637 /nfs/dbraw/zinc/13/76/37/364137637.db2.gz IQGMMOWQXJANLZ-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614933577 364195004 /nfs/dbraw/zinc/19/50/04/364195004.db2.gz DGPBXURVTKJJSR-NXEZZACHSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614933577 364195010 /nfs/dbraw/zinc/19/50/10/364195010.db2.gz DGPBXURVTKJJSR-NXEZZACHSA-N 1 2 249.314 0.810 20 0 BCADLO Cc1conc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000630552134 364246927 /nfs/dbraw/zinc/24/69/27/364246927.db2.gz XJNXADYODDTWOJ-UHFFFAOYSA-N 1 2 234.259 0.989 20 0 BCADLO COC1(CO)CC[NH+](Cc2cc(C)on2)CC1 ZINC000401751070 541351105 /nfs/dbraw/zinc/35/11/05/541351105.db2.gz NWJIZBZCRLDLEO-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1-c1ccccn1 ZINC000630598776 364316026 /nfs/dbraw/zinc/31/60/26/364316026.db2.gz GIAMOXFLLKEWOY-SNVBAGLBSA-N 1 2 231.259 0.323 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCOC[C@H]1C ZINC000250702564 364379692 /nfs/dbraw/zinc/37/96/92/364379692.db2.gz UHPZRTDEADSACQ-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCOC[C@H]1C ZINC000250702564 364379696 /nfs/dbraw/zinc/37/96/96/364379696.db2.gz UHPZRTDEADSACQ-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COCC[N@H+](C)Cc1cn([C@@H]2CC[C@H]2O)nn1 ZINC000630616360 364349478 /nfs/dbraw/zinc/34/94/78/364349478.db2.gz IZNXOTDFWUABGG-GHMZBOCLSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[N@@H+](C)Cc1cn([C@@H]2CC[C@H]2O)nn1 ZINC000630616360 364349485 /nfs/dbraw/zinc/34/94/85/364349485.db2.gz IZNXOTDFWUABGG-GHMZBOCLSA-N 1 2 240.307 0.052 20 0 BCADLO C[C@@H](CO)[N@H+](C)CC(=O)OC(C)(C)C ZINC000135884514 364451537 /nfs/dbraw/zinc/45/15/37/364451537.db2.gz XBDCLQPYQBCYKT-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@@H](CO)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000135884514 364451545 /nfs/dbraw/zinc/45/15/45/364451545.db2.gz XBDCLQPYQBCYKT-QMMMGPOBSA-N 1 2 203.282 0.641 20 0 BCADLO O=C(CC1CSC1)NCCn1cc[nH+]c1 ZINC000630734537 364524608 /nfs/dbraw/zinc/52/46/08/364524608.db2.gz FIAZJZDQJRUIIM-UHFFFAOYSA-N 1 2 225.317 0.752 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158208 364551198 /nfs/dbraw/zinc/55/11/98/364551198.db2.gz KOPAJABGWMJHKZ-KCJUWKMLSA-N 1 2 225.292 0.994 20 0 BCADLO CC[C@@](C)(CO)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158744 364552394 /nfs/dbraw/zinc/55/23/94/364552394.db2.gz UJRKXOAGLYIGKP-KCJUWKMLSA-N 1 2 225.292 0.996 20 0 BCADLO CCOCc1nc([C@@H](C)[NH2+]C[C@@H](C)O)no1 ZINC000644650995 541367297 /nfs/dbraw/zinc/36/72/97/541367297.db2.gz KLPVBKCDORBSMP-HTQZYQBOSA-N 1 2 229.280 0.638 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)ncn1 ZINC000644657785 541367325 /nfs/dbraw/zinc/36/73/25/541367325.db2.gz ILADMDYGBOFOPA-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)ncn1 ZINC000644657785 541367328 /nfs/dbraw/zinc/36/73/28/541367328.db2.gz ILADMDYGBOFOPA-UHFFFAOYSA-N 1 2 236.319 0.695 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000615222108 364641597 /nfs/dbraw/zinc/64/15/97/364641597.db2.gz PKNJNEXFSSZUJH-MRVPVSSYSA-N 1 2 238.291 0.847 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000615222108 364641608 /nfs/dbraw/zinc/64/16/08/364641608.db2.gz PKNJNEXFSSZUJH-MRVPVSSYSA-N 1 2 238.291 0.847 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000615234278 364649848 /nfs/dbraw/zinc/64/98/48/364649848.db2.gz WZROTXCJHIPUAF-IAZYJMLFSA-N 1 2 248.282 0.599 20 0 BCADLO C/C=C\CNC(=O)NCc1[nH+]ccn1C ZINC000623632947 364680152 /nfs/dbraw/zinc/68/01/52/364680152.db2.gz WYKRJFMODMCWAP-ARJAWSKDSA-N 1 2 208.265 0.795 20 0 BCADLO C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000630882703 364747171 /nfs/dbraw/zinc/74/71/71/364747171.db2.gz UOCCVGVVEGEDJK-NSHDSACASA-N 1 2 238.331 0.720 20 0 BCADLO C[C@@H](CC(=O)N1CC[C@](C)(O)C1)n1cc[nH+]c1 ZINC000566074131 364713139 /nfs/dbraw/zinc/71/31/39/364713139.db2.gz SNIQEPDBJFTQDI-JQWIXIFHSA-N 1 2 237.303 0.818 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333011208 364766653 /nfs/dbraw/zinc/76/66/53/364766653.db2.gz OJDNOTHUUPMJFG-GARJFASQSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000573086461 364783794 /nfs/dbraw/zinc/78/37/94/364783794.db2.gz IAEBFSGQIPHGIW-SCZZXKLOSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000573086461 364783800 /nfs/dbraw/zinc/78/38/00/364783800.db2.gz IAEBFSGQIPHGIW-SCZZXKLOSA-N 1 2 236.319 0.648 20 0 BCADLO CO[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000573541636 364856595 /nfs/dbraw/zinc/85/65/95/364856595.db2.gz DKJWVNSVRDHIER-MNOVXSKESA-N 1 2 249.314 0.957 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H](C)O[C@H](CO)C1 ZINC000299959112 364824919 /nfs/dbraw/zinc/82/49/19/364824919.db2.gz HRZSPKOHYSHLJH-UWVGGRQHSA-N 1 2 238.287 0.676 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000252012515 325684389 /nfs/dbraw/zinc/68/43/89/325684389.db2.gz XUKCIKDVKOFUHV-ZJUUUORDSA-N 1 2 225.292 0.645 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCc2c[nH+]cn2C)C1(F)F ZINC000336014674 541424714 /nfs/dbraw/zinc/42/47/14/541424714.db2.gz KPFDMZGKVPBBND-HTRCEHHLSA-N 1 2 229.230 0.938 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1CCC1(O)CC1 ZINC000574104330 364988389 /nfs/dbraw/zinc/98/83/89/364988389.db2.gz JANDOZFJSDQLFV-VIFPVBQESA-N 1 2 222.292 0.570 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1CCC1(O)CC1 ZINC000574104330 364988395 /nfs/dbraw/zinc/98/83/95/364988395.db2.gz JANDOZFJSDQLFV-VIFPVBQESA-N 1 2 222.292 0.570 20 0 BCADLO CCC[C@H](C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000574186262 365006756 /nfs/dbraw/zinc/00/67/56/365006756.db2.gz NTQGLHCDJOUKBJ-JTQLQIEISA-N 1 2 234.365 0.752 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCCc1[nH]cc[nH+]1 ZINC000574463615 365069171 /nfs/dbraw/zinc/06/91/71/365069171.db2.gz SSMYBZZCEZPVPB-NSHDSACASA-N 1 2 225.292 0.477 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CO ZINC000574530384 365084999 /nfs/dbraw/zinc/08/49/99/365084999.db2.gz AKGIPPDFUDXEII-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CO ZINC000574530384 365085004 /nfs/dbraw/zinc/08/50/04/365085004.db2.gz AKGIPPDFUDXEII-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO CN(C)C(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000574690217 365118667 /nfs/dbraw/zinc/11/86/67/365118667.db2.gz YASMNWGUXXFNFL-UHFFFAOYSA-N 1 2 229.299 0.788 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)CO1 ZINC000574704145 365127072 /nfs/dbraw/zinc/12/70/72/365127072.db2.gz UWSPGFRMFLGZMK-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO COC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574759849 365138095 /nfs/dbraw/zinc/13/80/95/365138095.db2.gz NAHZTFWWNZSCCN-ZJUUUORDSA-N 1 2 225.292 0.985 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)NC1(CO)CC1 ZINC000574848165 365159067 /nfs/dbraw/zinc/15/90/67/365159067.db2.gz SQHUMTHQDNSTQK-UHFFFAOYSA-N 1 2 246.270 0.981 20 0 BCADLO Cc1nc(N(CCO)C2CCOCC2)cc[nH+]1 ZINC000443998062 193033420 /nfs/dbraw/zinc/03/34/20/193033420.db2.gz ZJWCCTFLQVGQCH-UHFFFAOYSA-N 1 2 237.303 0.763 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc[nH+]c2ccncc12 ZINC000444091887 193034061 /nfs/dbraw/zinc/03/40/61/193034061.db2.gz YPVAFAMTRODFPP-QMMMGPOBSA-N 1 2 230.271 0.728 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158043953 193049135 /nfs/dbraw/zinc/04/91/35/193049135.db2.gz IXUVOJBWASTMOQ-OUAUKWLOSA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158043953 193049136 /nfs/dbraw/zinc/04/91/36/193049136.db2.gz IXUVOJBWASTMOQ-OUAUKWLOSA-N 1 2 242.319 0.001 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](C)CC(=O)OCC ZINC000444596554 193052400 /nfs/dbraw/zinc/05/24/00/193052400.db2.gz LIWCOZSOFYOTIC-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](C)CC(=O)OCC ZINC000444596554 193052401 /nfs/dbraw/zinc/05/24/01/193052401.db2.gz LIWCOZSOFYOTIC-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCOC1 ZINC000575194403 365237026 /nfs/dbraw/zinc/23/70/26/365237026.db2.gz GLCQLAYHFUBPFB-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCOC1 ZINC000575194403 365237029 /nfs/dbraw/zinc/23/70/29/365237029.db2.gz GLCQLAYHFUBPFB-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO FC1(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000575433343 365320365 /nfs/dbraw/zinc/32/03/65/365320365.db2.gz OJUHERCOVNNWQJ-DTORHVGOSA-N 1 2 201.241 0.588 20 0 BCADLO FC1(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000575433343 365320372 /nfs/dbraw/zinc/32/03/72/365320372.db2.gz OJUHERCOVNNWQJ-DTORHVGOSA-N 1 2 201.241 0.588 20 0 BCADLO CC1(C)CN(Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000336699687 365359014 /nfs/dbraw/zinc/35/90/14/365359014.db2.gz ZWEYQYWSFFVKNT-SECBINFHSA-N 1 2 225.292 0.381 20 0 BCADLO CCNC(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000182166059 366871052 /nfs/dbraw/zinc/87/10/52/366871052.db2.gz LRHXBNIMDOMRTM-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000182166059 366871059 /nfs/dbraw/zinc/87/10/59/366871059.db2.gz LRHXBNIMDOMRTM-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO O=C1C[N@H+](C[C@H](O)CCc2ccccc2)CCN1 ZINC000182178005 366873142 /nfs/dbraw/zinc/87/31/42/366873142.db2.gz SLGQEXWHIOMRFB-CYBMUJFWSA-N 1 2 248.326 0.412 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)CCc2ccccc2)CCN1 ZINC000182178005 366873147 /nfs/dbraw/zinc/87/31/47/366873147.db2.gz SLGQEXWHIOMRFB-CYBMUJFWSA-N 1 2 248.326 0.412 20 0 BCADLO CC[N@H+](CCO)Cc1nc(COC)no1 ZINC000182220409 366875868 /nfs/dbraw/zinc/87/58/68/366875868.db2.gz JPNVJSBVNPPXKG-UHFFFAOYSA-N 1 2 215.253 0.030 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(COC)no1 ZINC000182220409 366875874 /nfs/dbraw/zinc/87/58/74/366875874.db2.gz JPNVJSBVNPPXKG-UHFFFAOYSA-N 1 2 215.253 0.030 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC2(C)C)C1 ZINC000174590070 365499109 /nfs/dbraw/zinc/49/91/09/365499109.db2.gz IRXSOOLYLIMFAB-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC2(C)C)C1 ZINC000174590070 365499115 /nfs/dbraw/zinc/49/91/15/365499115.db2.gz IRXSOOLYLIMFAB-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CC(=O)N1CC([NH2+]Cc2nc(C)c(C)[nH]2)C1 ZINC000576173299 365510179 /nfs/dbraw/zinc/51/01/79/365510179.db2.gz LJFNABRYQPGZRR-UHFFFAOYSA-N 1 2 222.292 0.347 20 0 BCADLO CC(=O)N1CC(NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000576173299 365510188 /nfs/dbraw/zinc/51/01/88/365510188.db2.gz LJFNABRYQPGZRR-UHFFFAOYSA-N 1 2 222.292 0.347 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cnccn2)C1 ZINC000564879542 325822188 /nfs/dbraw/zinc/82/21/88/325822188.db2.gz NNGHOINURKPQPF-UHFFFAOYSA-N 1 2 221.260 0.472 20 0 BCADLO OCC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000182942367 366960440 /nfs/dbraw/zinc/96/04/40/366960440.db2.gz YKCIRINZUXOCOC-UHFFFAOYSA-N 1 2 205.261 0.783 20 0 BCADLO C[NH+](C)CCNC(=O)c1cccc2[nH]nnc21 ZINC000183297314 367011598 /nfs/dbraw/zinc/01/15/98/367011598.db2.gz CGLBMPKPNWFELZ-UHFFFAOYSA-N 1 2 233.275 0.249 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579851489 367050657 /nfs/dbraw/zinc/05/06/57/367050657.db2.gz PETCZNAFVUGPSS-KOLCDFICSA-N 1 2 239.319 0.721 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579851489 367050666 /nfs/dbraw/zinc/05/06/66/367050666.db2.gz PETCZNAFVUGPSS-KOLCDFICSA-N 1 2 239.319 0.721 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000579974826 367113198 /nfs/dbraw/zinc/11/31/98/367113198.db2.gz AFKNCEIURJNBFQ-NSHDSACASA-N 1 2 236.275 0.233 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@]23CCNC3=O)n1 ZINC000579974826 367113205 /nfs/dbraw/zinc/11/32/05/367113205.db2.gz AFKNCEIURJNBFQ-NSHDSACASA-N 1 2 236.275 0.233 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000185105643 367119353 /nfs/dbraw/zinc/11/93/53/367119353.db2.gz SNUFVSBRCPJEGU-JDNHERCYSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000185105643 367119357 /nfs/dbraw/zinc/11/93/57/367119357.db2.gz SNUFVSBRCPJEGU-JDNHERCYSA-N 1 2 248.392 0.600 20 0 BCADLO CC[C@]1(CO)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000580026309 367137653 /nfs/dbraw/zinc/13/76/53/367137653.db2.gz REXFUSKVDBNZHK-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C1CC1 ZINC000579970451 367108269 /nfs/dbraw/zinc/10/82/69/367108269.db2.gz FDJHEJBLKWALCE-GZMMTYOYSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C1CC1 ZINC000579970451 367108275 /nfs/dbraw/zinc/10/82/75/367108275.db2.gz FDJHEJBLKWALCE-GZMMTYOYSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C1CC1 ZINC000579970452 367108574 /nfs/dbraw/zinc/10/85/74/367108574.db2.gz FDJHEJBLKWALCE-KCJUWKMLSA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C1CC1 ZINC000579970452 367108581 /nfs/dbraw/zinc/10/85/81/367108581.db2.gz FDJHEJBLKWALCE-KCJUWKMLSA-N 1 2 237.303 0.475 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1COCCO1)C(C)C ZINC000580814845 367175475 /nfs/dbraw/zinc/17/54/75/367175475.db2.gz GKDCKYXSZKRILX-VHSXEESVSA-N 1 2 231.292 0.189 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC000580831991 367180661 /nfs/dbraw/zinc/18/06/61/367180661.db2.gz NPWQBJPZEBSKIX-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)NC1CCCC1 ZINC000580831991 367180669 /nfs/dbraw/zinc/18/06/69/367180669.db2.gz NPWQBJPZEBSKIX-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)CC[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000580707977 367147820 /nfs/dbraw/zinc/14/78/20/367147820.db2.gz GKVBVOBPLXFFID-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO CCNC(=O)CC[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000580707977 367147824 /nfs/dbraw/zinc/14/78/24/367147824.db2.gz GKVBVOBPLXFFID-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO Cc1cnc(C(=O)NCCc2c[nH+]cn2C)o1 ZINC000581303550 367331678 /nfs/dbraw/zinc/33/16/78/367331678.db2.gz IWABZNPYPJTIHX-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194436571 367291621 /nfs/dbraw/zinc/29/16/21/367291621.db2.gz XBFVFKASDMRZDE-NXEZZACHSA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194436571 367291626 /nfs/dbraw/zinc/29/16/26/367291626.db2.gz XBFVFKASDMRZDE-NXEZZACHSA-N 1 2 239.323 0.336 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000194568022 367304623 /nfs/dbraw/zinc/30/46/23/367304623.db2.gz DSZVFYAUHPUDPV-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCCN(C(C)=O)CC1 ZINC000194568022 367304626 /nfs/dbraw/zinc/30/46/26/367304626.db2.gz DSZVFYAUHPUDPV-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000581426663 367467027 /nfs/dbraw/zinc/46/70/27/367467027.db2.gz BOJSJVZIJGOHMW-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000581426663 367467031 /nfs/dbraw/zinc/46/70/31/367467031.db2.gz BOJSJVZIJGOHMW-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000581463758 367488356 /nfs/dbraw/zinc/48/83/56/367488356.db2.gz RXJHQEUCYAMTRG-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000581463758 367488357 /nfs/dbraw/zinc/48/83/57/367488357.db2.gz RXJHQEUCYAMTRG-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO Cn1cc[nH+]c1CSc1n[nH]c(CO)n1 ZINC000581407678 367444154 /nfs/dbraw/zinc/44/41/54/367444154.db2.gz FHZXESNLCFKOIC-UHFFFAOYSA-N 1 2 225.277 0.323 20 0 BCADLO C[C@H]1CCC[C@@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000383024698 367587025 /nfs/dbraw/zinc/58/70/25/367587025.db2.gz UYUBLWDOOCXZLD-CMPLNLGQSA-N 1 2 237.303 0.550 20 0 BCADLO COCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581551853 367585252 /nfs/dbraw/zinc/58/52/52/367585252.db2.gz BMSQOIDWIPYSQV-SNVBAGLBSA-N 1 2 225.292 0.987 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000581660654 367661008 /nfs/dbraw/zinc/66/10/08/367661008.db2.gz NEIZPLOTKINNTL-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO CCOCC[C@@H](O)C[NH2+]Cc1noc(C)n1 ZINC000581662508 367662490 /nfs/dbraw/zinc/66/24/90/367662490.db2.gz MFZUKIHPFZNZCQ-SECBINFHSA-N 1 2 229.280 0.255 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC12CC2 ZINC000622353376 370863395 /nfs/dbraw/zinc/86/33/95/370863395.db2.gz LJYOGHKJVONGJB-MRVPVSSYSA-N 1 2 205.261 0.836 20 0 BCADLO Cc1nc(N[C@H]2CCCS(=O)(=O)C2)cc[nH+]1 ZINC000068941865 370863743 /nfs/dbraw/zinc/86/37/43/370863743.db2.gz YGGRDXKBYZUSGL-VIFPVBQESA-N 1 2 241.316 0.774 20 0 BCADLO Cc1cc(N[C@H]2CCCS(=O)(=O)C2)nc[nH+]1 ZINC000068941905 370862890 /nfs/dbraw/zinc/86/28/90/370862890.db2.gz SSJSSULTGTYNDK-VIFPVBQESA-N 1 2 241.316 0.774 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H](O)C1CCC1 ZINC000622353636 370863029 /nfs/dbraw/zinc/86/30/29/370863029.db2.gz WVEBJNSZMAEZSI-SNVBAGLBSA-N 1 2 223.276 0.197 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](O)C1CCC1 ZINC000622361415 370868462 /nfs/dbraw/zinc/86/84/62/370868462.db2.gz FYLCRQFOGJJUPU-SNVBAGLBSA-N 1 2 223.276 0.529 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384643101 367712372 /nfs/dbraw/zinc/71/23/72/367712372.db2.gz SUJNIAOORCRZDR-RBXMUDONSA-N 1 2 201.266 0.703 20 0 BCADLO C[C@H](C[S@](C)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC000581759811 367810360 /nfs/dbraw/zinc/81/03/60/367810360.db2.gz PBKHYYCBAVHFFC-ABKXIKBNSA-N 1 2 243.332 0.109 20 0 BCADLO CC1(O)CC(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000622384871 370882126 /nfs/dbraw/zinc/88/21/26/370882126.db2.gz VPPMSPOKGVRZGI-UHFFFAOYSA-N 1 2 209.249 0.187 20 0 BCADLO CC1(O)CC(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000622384871 370882136 /nfs/dbraw/zinc/88/21/36/370882136.db2.gz VPPMSPOKGVRZGI-UHFFFAOYSA-N 1 2 209.249 0.187 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc2n(n1)CCCC2 ZINC000622366463 370871330 /nfs/dbraw/zinc/87/13/30/370871330.db2.gz DTQPFXRZZXQYQP-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO CC[C@@H](O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000622372171 370875110 /nfs/dbraw/zinc/87/51/10/370875110.db2.gz DVMFOMXMOGFDOW-SNVBAGLBSA-N 1 2 223.276 0.427 20 0 BCADLO CC[C@@H]1[C@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000385728018 367858734 /nfs/dbraw/zinc/85/87/34/367858734.db2.gz TULKCKLPLGYDAS-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO CC[C@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000386141529 367920398 /nfs/dbraw/zinc/92/03/98/367920398.db2.gz QNUQQSHDSCNEPZ-MRVPVSSYSA-N 1 2 203.282 0.953 20 0 BCADLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000011680583 367925178 /nfs/dbraw/zinc/92/51/78/367925178.db2.gz LFWIJRMDDYCCED-RXMQYKEDSA-N 1 2 237.288 0.329 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000581923190 367927336 /nfs/dbraw/zinc/92/73/36/367927336.db2.gz YRERUPUZJAJRHD-SECBINFHSA-N 1 2 216.281 0.006 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000581923190 367927345 /nfs/dbraw/zinc/92/73/45/367927345.db2.gz YRERUPUZJAJRHD-SECBINFHSA-N 1 2 216.281 0.006 20 0 BCADLO Cc1ccc(C[N@H+](C)CC(=O)NC(N)=O)o1 ZINC000016377474 367949826 /nfs/dbraw/zinc/94/98/26/367949826.db2.gz DBAKCQMFKRSLPR-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(N)=O)o1 ZINC000016377474 367949831 /nfs/dbraw/zinc/94/98/31/367949831.db2.gz DBAKCQMFKRSLPR-UHFFFAOYSA-N 1 2 225.248 0.215 20 0 BCADLO CNC(=O)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000016381019 367950129 /nfs/dbraw/zinc/95/01/29/367950129.db2.gz CQISLPCPAYJSPT-UHFFFAOYSA-N 1 2 225.248 0.167 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000016381019 367950132 /nfs/dbraw/zinc/95/01/32/367950132.db2.gz CQISLPCPAYJSPT-UHFFFAOYSA-N 1 2 225.248 0.167 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615478140 368056253 /nfs/dbraw/zinc/05/62/53/368056253.db2.gz IQDUMWBALAAYOQ-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615478140 368056258 /nfs/dbraw/zinc/05/62/58/368056258.db2.gz IQDUMWBALAAYOQ-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1(CO)CC1 ZINC000157519338 201577657 /nfs/dbraw/zinc/57/76/57/201577657.db2.gz NQUIMTBBGXQXIE-UHFFFAOYSA-N 1 2 219.248 0.300 20 0 BCADLO Nc1nc(N)nc(C[NH+]2CCCCC2)n1 ZINC000015375991 368177086 /nfs/dbraw/zinc/17/70/86/368177086.db2.gz IFKNOWRNEXIWFU-UHFFFAOYSA-N 1 2 208.269 0.022 20 0 BCADLO CC(C)(C)OCC[N@@H+]1CCn2nncc2C1 ZINC000566430110 326045655 /nfs/dbraw/zinc/04/56/55/326045655.db2.gz JNQWOGBIFYQGJQ-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CC(C)(C)OCC[N@H+]1CCn2nncc2C1 ZINC000566430110 326045658 /nfs/dbraw/zinc/04/56/58/326045658.db2.gz JNQWOGBIFYQGJQ-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO O=C(CC[C@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000046150025 368437752 /nfs/dbraw/zinc/43/77/52/368437752.db2.gz CCDBCBZBYCQAGX-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000060624732 368549547 /nfs/dbraw/zinc/54/95/47/368549547.db2.gz WAMUGSRYZVNHHY-JTQLQIEISA-N 1 2 213.325 0.147 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C(C)C ZINC000061799598 368571895 /nfs/dbraw/zinc/57/18/95/368571895.db2.gz BBIHYAFLFXWSNO-UHFFFAOYSA-N 1 2 243.351 0.310 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C(C)C ZINC000061799598 368571899 /nfs/dbraw/zinc/57/18/99/368571899.db2.gz BBIHYAFLFXWSNO-UHFFFAOYSA-N 1 2 243.351 0.310 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1ccn[nH]1 ZINC000063705038 368592788 /nfs/dbraw/zinc/59/27/88/368592788.db2.gz UHWKTZZOTCBPKR-UHFFFAOYSA-N 1 2 231.259 0.647 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000066864361 368664409 /nfs/dbraw/zinc/66/44/09/368664409.db2.gz YBWOVIUNQTUJHL-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000066864361 368664414 /nfs/dbraw/zinc/66/44/14/368664414.db2.gz YBWOVIUNQTUJHL-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO CC1(C)COCC[N@@H+]1CC(=O)N1CCC1 ZINC000064247459 368601659 /nfs/dbraw/zinc/60/16/59/368601659.db2.gz RIJCISSJPKMZID-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CC1(C)COCC[N@H+]1CC(=O)N1CCC1 ZINC000064247459 368601662 /nfs/dbraw/zinc/60/16/62/368601662.db2.gz RIJCISSJPKMZID-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC[C@H]1O ZINC000253195322 368613014 /nfs/dbraw/zinc/61/30/14/368613014.db2.gz QCEYNNKALLHXHO-GXSJLCMTSA-N 1 2 222.288 0.781 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)on1 ZINC000399846017 368615320 /nfs/dbraw/zinc/61/53/20/368615320.db2.gz IMADDJBIMDONIG-VIFPVBQESA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H](O)C2)on1 ZINC000399846017 368615325 /nfs/dbraw/zinc/61/53/25/368615325.db2.gz IMADDJBIMDONIG-VIFPVBQESA-N 1 2 212.249 0.176 20 0 BCADLO CCS(=O)(=O)NCCCNc1cccc[nH+]1 ZINC000065230433 368619854 /nfs/dbraw/zinc/61/98/54/368619854.db2.gz WBKLELYXJQHBCJ-UHFFFAOYSA-N 1 2 243.332 0.823 20 0 BCADLO C[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000615907930 368639473 /nfs/dbraw/zinc/63/94/73/368639473.db2.gz SLJGLNQZPOFTGA-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066404189 368647292 /nfs/dbraw/zinc/64/72/92/368647292.db2.gz QMRYSEDKBDPKBS-BBBLOLIVSA-N 1 2 226.320 0.763 20 0 BCADLO CC[C@@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000068467753 368726968 /nfs/dbraw/zinc/72/69/68/368726968.db2.gz IJYPRHZZEBDGKZ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CC(C)(C(=O)N1CCC12COC2)c1c[nH+]c[nH]1 ZINC000615923563 368675254 /nfs/dbraw/zinc/67/52/54/368675254.db2.gz PZZNTXHATBKJEL-UHFFFAOYSA-N 1 2 235.287 0.689 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC12COC2 ZINC000615929022 368686841 /nfs/dbraw/zinc/68/68/41/368686841.db2.gz XTJKAXBAQOHYAM-UHFFFAOYSA-N 1 2 221.260 0.275 20 0 BCADLO Cc1cccc2[nH+]c(CNS(C)(=O)=O)cn21 ZINC000068944392 368742536 /nfs/dbraw/zinc/74/25/36/368742536.db2.gz SYMMNELFOQNFEF-UHFFFAOYSA-N 1 2 239.300 0.692 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000457379638 203051399 /nfs/dbraw/zinc/05/13/99/203051399.db2.gz UDZJGHUQYMKSKR-HBNTYKKESA-N 1 2 236.315 0.376 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622467239 370940182 /nfs/dbraw/zinc/94/01/82/370940182.db2.gz NHQSEHMVEKWGAC-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)CCO ZINC000622469257 370941371 /nfs/dbraw/zinc/94/13/71/370941371.db2.gz FYTURCMZXFQGMT-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO CC(C)(NC(=O)c1ncc[nH]1)c1[nH]cc[nH+]1 ZINC000615951815 368757497 /nfs/dbraw/zinc/75/74/97/368757497.db2.gz BFSZTBFFUVRADF-UHFFFAOYSA-N 1 2 219.248 0.798 20 0 BCADLO CON(C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000073412424 368804093 /nfs/dbraw/zinc/80/40/93/368804093.db2.gz FSVGAZQDIFTABX-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ncccc2O)CC1(C)C ZINC000110761774 368806671 /nfs/dbraw/zinc/80/66/71/368806671.db2.gz MBNXNPUZYSBXHE-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ncccc2O)CC1(C)C ZINC000110761774 368806676 /nfs/dbraw/zinc/80/66/76/368806676.db2.gz MBNXNPUZYSBXHE-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC(F)F ZINC000073161873 368796551 /nfs/dbraw/zinc/79/65/51/368796551.db2.gz LGFFTWCVCXAPHH-UHFFFAOYSA-N 1 2 203.192 0.655 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615994365 368861018 /nfs/dbraw/zinc/86/10/18/368861018.db2.gz TYFILYFFXXJSMM-OUAUKWLOSA-N 1 2 249.314 0.427 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C)n1)C(=O)N1CCCC1 ZINC000112838104 368875841 /nfs/dbraw/zinc/87/58/41/368875841.db2.gz SURPDJLJZIGHFQ-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO Cc1cc(C)c(CNC(=O)C[C@H]2CC(=O)N2)c[nH+]1 ZINC000616114665 368960015 /nfs/dbraw/zinc/96/00/15/368960015.db2.gz BPVWEBUAYRNNHY-NSHDSACASA-N 1 2 247.298 0.593 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616198312 369031510 /nfs/dbraw/zinc/03/15/10/369031510.db2.gz BFEYWSYKSKCQPJ-HLUHBDAQSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616198312 369031512 /nfs/dbraw/zinc/03/15/12/369031512.db2.gz BFEYWSYKSKCQPJ-HLUHBDAQSA-N 1 2 249.314 0.544 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1ccon1 ZINC000054355963 369068752 /nfs/dbraw/zinc/06/87/52/369068752.db2.gz UWADWNUHZVDBAK-UHFFFAOYSA-N 1 2 213.237 0.191 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000054355963 369068754 /nfs/dbraw/zinc/06/87/54/369068754.db2.gz UWADWNUHZVDBAK-UHFFFAOYSA-N 1 2 213.237 0.191 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000618398468 369134820 /nfs/dbraw/zinc/13/48/20/369134820.db2.gz FQBJDKUURSSXQA-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@](O)(C2CC2)C1 ZINC000618291180 369112320 /nfs/dbraw/zinc/11/23/20/369112320.db2.gz AFJBPJHPYRFWDI-CYBMUJFWSA-N 1 2 249.314 0.647 20 0 BCADLO Cc1cnc(C(=O)NC2C[NH+](C(C)C)C2)c(O)c1 ZINC000457724086 203096209 /nfs/dbraw/zinc/09/62/09/203096209.db2.gz PDQXTOJSXNBEFI-UHFFFAOYSA-N 1 2 249.314 0.918 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457862356 203113534 /nfs/dbraw/zinc/11/35/34/203113534.db2.gz QMBIPOLJMJGWPR-QWRGUYRKSA-N 1 2 237.303 0.504 20 0 BCADLO CC[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000618401489 369136099 /nfs/dbraw/zinc/13/60/99/369136099.db2.gz FPWJMPYZWDYGIW-NXEZZACHSA-N 1 2 225.292 0.721 20 0 BCADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000458128435 203136846 /nfs/dbraw/zinc/13/68/46/203136846.db2.gz HYZYWRIIGCSPSR-GRYCIOLGSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cn(C)cn1 ZINC000618905539 369237006 /nfs/dbraw/zinc/23/70/06/369237006.db2.gz QNZBEHWUUKXUPO-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cn(C)cn1 ZINC000618905539 369237011 /nfs/dbraw/zinc/23/70/11/369237011.db2.gz QNZBEHWUUKXUPO-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@H](C[S@](C)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000618905539 369237015 /nfs/dbraw/zinc/23/70/15/369237015.db2.gz QNZBEHWUUKXUPO-PSLIRLAXSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1cccn2c(NC(=O)[C@H](C)O)c[nH+]c12 ZINC000619014340 369257181 /nfs/dbraw/zinc/25/71/81/369257181.db2.gz KRHYDCVUPBXVDD-QMMMGPOBSA-N 1 2 219.244 0.962 20 0 BCADLO Cc1cccn2c(NC(=O)[C@H]3CC(=O)N3)c[nH+]c12 ZINC000619016084 369258058 /nfs/dbraw/zinc/25/80/58/369258058.db2.gz VMZPMWNQZKWNJP-MRVPVSSYSA-N 1 2 244.254 0.470 20 0 BCADLO CCN1CC[N@H+](CCc2cn[nH]c2)[C@H](C)C1=O ZINC000459432203 203280239 /nfs/dbraw/zinc/28/02/39/203280239.db2.gz RUSPXNLGPHYLDT-SNVBAGLBSA-N 1 2 236.319 0.505 20 0 BCADLO CCN1CC[N@@H+](CCc2cn[nH]c2)[C@H](C)C1=O ZINC000459432203 203280243 /nfs/dbraw/zinc/28/02/43/203280243.db2.gz RUSPXNLGPHYLDT-SNVBAGLBSA-N 1 2 236.319 0.505 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402618914 369387673 /nfs/dbraw/zinc/38/76/73/369387673.db2.gz UCLPHQYWTWNICO-LLVKDONJSA-N 1 2 235.287 0.657 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1CCc1cnccn1 ZINC000402618914 369387675 /nfs/dbraw/zinc/38/76/75/369387675.db2.gz UCLPHQYWTWNICO-LLVKDONJSA-N 1 2 235.287 0.657 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C(=O)OC ZINC000619430794 369349514 /nfs/dbraw/zinc/34/95/14/369349514.db2.gz YNDYXRABYLJNNC-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CC1 ZINC000619433615 369352307 /nfs/dbraw/zinc/35/23/07/369352307.db2.gz BZUCPRJOIVOSJQ-IUCAKERBSA-N 1 2 201.241 0.982 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CC1 ZINC000619433615 369352308 /nfs/dbraw/zinc/35/23/08/369352308.db2.gz BZUCPRJOIVOSJQ-IUCAKERBSA-N 1 2 201.241 0.982 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)n1 ZINC000107819700 369361172 /nfs/dbraw/zinc/36/11/72/369361172.db2.gz LDYDIOJQMHRWAF-MRVPVSSYSA-N 1 2 239.275 0.627 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](C(=O)OC)C2)n1 ZINC000107819700 369361173 /nfs/dbraw/zinc/36/11/73/369361173.db2.gz LDYDIOJQMHRWAF-MRVPVSSYSA-N 1 2 239.275 0.627 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000401793677 369372202 /nfs/dbraw/zinc/37/22/02/369372202.db2.gz IGWGFZIWJPBNFI-JTQLQIEISA-N 1 2 245.319 0.411 20 0 BCADLO COCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000567806621 326259988 /nfs/dbraw/zinc/25/99/88/326259988.db2.gz KNHYKZYLHBXVPR-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO COCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619514125 369456355 /nfs/dbraw/zinc/45/63/55/369456355.db2.gz BVAGIVRTZPKJOV-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO COCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619514125 369456356 /nfs/dbraw/zinc/45/63/56/369456356.db2.gz BVAGIVRTZPKJOV-UWVGGRQHSA-N 1 2 233.283 0.998 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@]1(C)CCCOC1 ZINC000622482779 370950790 /nfs/dbraw/zinc/95/07/90/370950790.db2.gz JEJSUGCZLZBAHA-GFCCVEGCSA-N 1 2 237.303 0.648 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862015 369474434 /nfs/dbraw/zinc/47/44/34/369474434.db2.gz KGSUWZQXJCPKAQ-VHSXEESVSA-N 1 2 213.325 0.276 20 0 BCADLO Cc1[nH+]ccn1CC(=O)Nc1ncccc1O ZINC000622504805 370969070 /nfs/dbraw/zinc/96/90/70/370969070.db2.gz AXWXEQJEQGEEJO-UHFFFAOYSA-N 1 2 232.243 0.931 20 0 BCADLO C[C@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000619698456 369533892 /nfs/dbraw/zinc/53/38/92/369533892.db2.gz MRTHBYXSXIILNW-ZETCQYMHSA-N 1 2 203.249 0.962 20 0 BCADLO CCCCn1nnnc1C[N@H+](CC)CCOC ZINC000619888253 369625282 /nfs/dbraw/zinc/62/52/82/369625282.db2.gz QJPVMBJWPVLUQO-UHFFFAOYSA-N 1 2 241.339 0.942 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CC)CCOC ZINC000619888253 369625283 /nfs/dbraw/zinc/62/52/83/369625283.db2.gz QJPVMBJWPVLUQO-UHFFFAOYSA-N 1 2 241.339 0.942 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000620060719 369692438 /nfs/dbraw/zinc/69/24/38/369692438.db2.gz JPKKYHDVUFGLRX-DTWKUNHWSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@H](O)C1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000620060719 369692442 /nfs/dbraw/zinc/69/24/42/369692442.db2.gz JPKKYHDVUFGLRX-DTWKUNHWSA-N 1 2 249.314 0.544 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2COC[C@@H]2C1 ZINC000620132622 369742849 /nfs/dbraw/zinc/74/28/49/369742849.db2.gz IMPYKUYSXMSTTI-QWRGUYRKSA-N 1 2 235.287 0.378 20 0 BCADLO CCc1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000157883500 326299323 /nfs/dbraw/zinc/29/93/23/326299323.db2.gz WDKJAWQJGKSGIW-UHFFFAOYSA-N 1 2 220.232 0.890 20 0 BCADLO Cc1ncc(C(=O)N[C@@H](C)c2[nH+]ccn2C)[nH]1 ZINC000620601357 369950306 /nfs/dbraw/zinc/95/03/06/369950306.db2.gz WOVKQWZNLXNENI-ZETCQYMHSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@@H](NC(=O)CC(C)(C)O)c1[nH+]ccn1C ZINC000620605338 369953497 /nfs/dbraw/zinc/95/34/97/369953497.db2.gz AVYLYJMVQBNFNH-MRVPVSSYSA-N 1 2 225.292 0.758 20 0 BCADLO C[C@H](NC(=O)C1CC(C)(O)C1)c1[nH+]ccn1C ZINC000620607293 369955348 /nfs/dbraw/zinc/95/53/48/369955348.db2.gz GPBHHBIBKATLFD-QTZUAFFRSA-N 1 2 237.303 0.758 20 0 BCADLO C[C@H](NC(=O)c1ncn(C)n1)c1[nH+]ccn1C ZINC000620608451 369956880 /nfs/dbraw/zinc/95/68/80/369956880.db2.gz OHEDWRNCQQKVQJ-ZETCQYMHSA-N 1 2 234.263 0.040 20 0 BCADLO C[C@H](NC(=O)[C@@H](O)C1CCC1)c1[nH+]ccn1C ZINC000620612501 369958182 /nfs/dbraw/zinc/95/81/82/369958182.db2.gz WVRITCICQZGOBE-WPRPVWTQSA-N 1 2 237.303 0.758 20 0 BCADLO C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH+]ccn1C ZINC000620611162 369958411 /nfs/dbraw/zinc/95/84/11/369958411.db2.gz ZPAYXCHLWRXSBD-AXTSPUMRSA-N 1 2 235.287 0.490 20 0 BCADLO CCOCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620592057 369944399 /nfs/dbraw/zinc/94/43/99/369944399.db2.gz JCESWINFISHIRR-QMMMGPOBSA-N 1 2 211.265 0.634 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCCOCCF)C1 ZINC000621093287 370102423 /nfs/dbraw/zinc/10/24/23/370102423.db2.gz YPQKLUPGPNYYOO-UHFFFAOYSA-N 1 2 232.299 0.431 20 0 BCADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295374 370217273 /nfs/dbraw/zinc/21/72/73/370217273.db2.gz HEWDTNKAOOILDC-YUMQZZPRSA-N 1 2 240.332 0.796 20 0 BCADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295374 370217279 /nfs/dbraw/zinc/21/72/79/370217279.db2.gz HEWDTNKAOOILDC-YUMQZZPRSA-N 1 2 240.332 0.796 20 0 BCADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295372 370217440 /nfs/dbraw/zinc/21/74/40/370217440.db2.gz HEWDTNKAOOILDC-JGVFFNPUSA-N 1 2 240.332 0.796 20 0 BCADLO C[C@@H](c1csnn1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295372 370217444 /nfs/dbraw/zinc/21/74/44/370217444.db2.gz HEWDTNKAOOILDC-JGVFFNPUSA-N 1 2 240.332 0.796 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000076419012 370286382 /nfs/dbraw/zinc/28/63/82/370286382.db2.gz YIWDDAKCMQXRMN-LLVKDONJSA-N 1 2 249.314 0.096 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000076419012 370286388 /nfs/dbraw/zinc/28/63/88/370286388.db2.gz YIWDDAKCMQXRMN-LLVKDONJSA-N 1 2 249.314 0.096 20 0 BCADLO COC(=O)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000310127721 370304700 /nfs/dbraw/zinc/30/47/00/370304700.db2.gz GOVRFMUEKOOYHR-VIFPVBQESA-N 1 2 237.259 0.047 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@](C)(O)C1CC1 ZINC000310123565 370305162 /nfs/dbraw/zinc/30/51/62/370305162.db2.gz IPWLMJKVWPFYGT-NSHDSACASA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@](C)(O)C1CC1 ZINC000310123565 370305167 /nfs/dbraw/zinc/30/51/67/370305167.db2.gz IPWLMJKVWPFYGT-NSHDSACASA-N 1 2 238.291 0.640 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)[nH]1 ZINC000621373763 370314173 /nfs/dbraw/zinc/31/41/73/370314173.db2.gz OHIPIPUWQTWARW-WCBMZHEXSA-N 1 2 224.308 0.563 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)[nH]1 ZINC000621373763 370314174 /nfs/dbraw/zinc/31/41/74/370314174.db2.gz OHIPIPUWQTWARW-WCBMZHEXSA-N 1 2 224.308 0.563 20 0 BCADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H](C)O ZINC000568293491 326342403 /nfs/dbraw/zinc/34/24/03/326342403.db2.gz RBSHBBIWGUEOGF-NXEZZACHSA-N 1 2 228.336 0.604 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1nccnc1C ZINC000621712956 370459236 /nfs/dbraw/zinc/45/92/36/370459236.db2.gz VVHXESWNSQCMMR-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1nccnc1C ZINC000621712956 370459241 /nfs/dbraw/zinc/45/92/41/370459241.db2.gz VVHXESWNSQCMMR-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000621714440 370460708 /nfs/dbraw/zinc/46/07/08/370460708.db2.gz OFIZMWMUJUVZER-NSHDSACASA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000621714440 370460711 /nfs/dbraw/zinc/46/07/11/370460711.db2.gz OFIZMWMUJUVZER-NSHDSACASA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nccnc1CN1CCn2cc[nH+]c2C1 ZINC000621714657 370462295 /nfs/dbraw/zinc/46/22/95/370462295.db2.gz UZIOBWWZOXOKOT-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000621717590 370468171 /nfs/dbraw/zinc/46/81/71/370468171.db2.gz IUOWJDHGQZSXFG-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000621717590 370468173 /nfs/dbraw/zinc/46/81/73/370468173.db2.gz IUOWJDHGQZSXFG-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H](C)O ZINC000568293492 326342542 /nfs/dbraw/zinc/34/25/42/326342542.db2.gz RBSHBBIWGUEOGF-UWVGGRQHSA-N 1 2 228.336 0.604 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000621724476 370474922 /nfs/dbraw/zinc/47/49/22/370474922.db2.gz KBHFQONHJWDNLN-GXSJLCMTSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000621724476 370474925 /nfs/dbraw/zinc/47/49/25/370474925.db2.gz KBHFQONHJWDNLN-GXSJLCMTSA-N 1 2 237.303 0.367 20 0 BCADLO C[C@H](O)CCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000078416630 370557711 /nfs/dbraw/zinc/55/77/11/370557711.db2.gz RGWXTLPSFIHIFW-JTQLQIEISA-N 1 2 247.302 0.869 20 0 BCADLO CC(C)(C(=O)NCCn1ccnn1)c1c[nH]c[nH+]1 ZINC000621949805 370615634 /nfs/dbraw/zinc/61/56/34/370615634.db2.gz VYBRZWRXDKGLMD-UHFFFAOYSA-N 1 2 248.290 0.095 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccccc2)C[NH2+]1 ZINC000114990445 370615694 /nfs/dbraw/zinc/61/56/94/370615694.db2.gz NZYMFGJXARXLAA-WDEREUQCSA-N 1 2 248.282 0.320 20 0 BCADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC(O)C1 ZINC000621953173 370617578 /nfs/dbraw/zinc/61/75/78/370617578.db2.gz FYYMTVQGKFFHHK-UHFFFAOYSA-N 1 2 237.303 0.669 20 0 BCADLO CC1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000622557277 370995329 /nfs/dbraw/zinc/99/53/29/370995329.db2.gz AFABAWISWQWYRE-NSHDSACASA-N 1 2 236.319 0.501 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)C1CCC1 ZINC000622668461 371048356 /nfs/dbraw/zinc/04/83/56/371048356.db2.gz QEGWIJHEHUFGTO-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C1CCC1 ZINC000622668460 371048618 /nfs/dbraw/zinc/04/86/18/371048618.db2.gz QEGWIJHEHUFGTO-LLVKDONJSA-N 1 2 237.303 0.240 20 0 BCADLO CC(C)NC(=O)C[NH2+]Cc1nccs1 ZINC000070159373 371008609 /nfs/dbraw/zinc/00/86/09/371008609.db2.gz HKJBHSFHTAYSPY-UHFFFAOYSA-N 1 2 213.306 0.757 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000622656599 371043378 /nfs/dbraw/zinc/04/33/78/371043378.db2.gz HALZUWKMVLQPSW-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cncc(F)c2)c1 ZINC000622685661 371062088 /nfs/dbraw/zinc/06/20/88/371062088.db2.gz DMNZLZOVLIMENO-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685723 371062532 /nfs/dbraw/zinc/06/25/32/371062532.db2.gz HJVVOKUAVXJOLI-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CC2CC2)c1 ZINC000622685906 371063573 /nfs/dbraw/zinc/06/35/73/371063573.db2.gz PPIWAOMICCXFPS-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO Cc1noc(C)c1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686022 371063833 /nfs/dbraw/zinc/06/38/33/371063833.db2.gz WKBJIXIWBWCLSE-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)[nH]1 ZINC000093085780 371133792 /nfs/dbraw/zinc/13/37/92/371133792.db2.gz OSOSKQUUNXAUOJ-UHFFFAOYSA-N 1 2 234.259 0.814 20 0 BCADLO COC(=O)C(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276613939 371151851 /nfs/dbraw/zinc/15/18/51/371151851.db2.gz PYHNMZRHZKLQFB-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)C(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276613939 371151855 /nfs/dbraw/zinc/15/18/55/371151855.db2.gz PYHNMZRHZKLQFB-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)c1ccn(C)n1 ZINC000569056329 326388035 /nfs/dbraw/zinc/38/80/35/326388035.db2.gz BNYUVFSJDLIZQN-UHFFFAOYSA-N 1 2 219.248 0.280 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCF ZINC000624094368 371302984 /nfs/dbraw/zinc/30/29/84/371302984.db2.gz CSMKZDHUFCQZPE-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCF ZINC000624094368 371302987 /nfs/dbraw/zinc/30/29/87/371302987.db2.gz CSMKZDHUFCQZPE-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO [NH3+][C@@H](C(=O)N[C@H]1CCSC1)c1cscn1 ZINC000572833346 326413701 /nfs/dbraw/zinc/41/37/01/326413701.db2.gz SKFDVNOFJRSTEN-POYBYMJQSA-N 1 2 243.357 0.765 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000624174409 371365139 /nfs/dbraw/zinc/36/51/39/371365139.db2.gz WUHXTJIOSJSIGR-MWLCHTKSSA-N 1 2 238.335 0.699 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252124 371436567 /nfs/dbraw/zinc/43/65/67/371436567.db2.gz AGDMAELOSCAIAF-JQWIXIFHSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624252124 371436572 /nfs/dbraw/zinc/43/65/72/371436572.db2.gz AGDMAELOSCAIAF-JQWIXIFHSA-N 1 2 249.314 0.719 20 0 BCADLO COc1ccc[nH+]c1N(C)C[C@H]1COCCO1 ZINC000624396322 371499065 /nfs/dbraw/zinc/49/90/65/371499065.db2.gz LRTINELOUMZLAP-JTQLQIEISA-N 1 2 238.287 0.942 20 0 BCADLO CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)COC1 ZINC000627370087 371588637 /nfs/dbraw/zinc/58/86/37/371588637.db2.gz NMWUUDJUPLLWAL-UHFFFAOYSA-N 1 2 221.260 0.331 20 0 BCADLO CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)COC1 ZINC000627370087 371588644 /nfs/dbraw/zinc/58/86/44/371588644.db2.gz NMWUUDJUPLLWAL-UHFFFAOYSA-N 1 2 221.260 0.331 20 0 BCADLO CC1(O)CC(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627373166 371592497 /nfs/dbraw/zinc/59/24/97/371592497.db2.gz JMGCIHCPKXPEIR-UHFFFAOYSA-N 1 2 235.287 0.455 20 0 BCADLO CC1(O)CC(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627373166 371592503 /nfs/dbraw/zinc/59/25/03/371592503.db2.gz JMGCIHCPKXPEIR-UHFFFAOYSA-N 1 2 235.287 0.455 20 0 BCADLO O=C(C1CC1)N1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000121460153 181861814 /nfs/dbraw/zinc/86/18/14/181861814.db2.gz NSMZUOSBVDIGGN-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO Cn1cc(C[NH2+][C@@](C)(CO)c2ccccc2)nn1 ZINC000229305843 372141287 /nfs/dbraw/zinc/14/12/87/372141287.db2.gz YBFGPJDOEJRDDD-ZDUSSCGKSA-N 1 2 246.314 0.812 20 0 BCADLO C[C@H]1C[C@@H]1c1noc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000631382698 372326466 /nfs/dbraw/zinc/32/64/66/372326466.db2.gz BSCCBZJIRRKHDD-BQBZGAKWSA-N 1 2 247.258 0.846 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)COCC(C)C ZINC000171147298 372373061 /nfs/dbraw/zinc/37/30/61/372373061.db2.gz MXZOLURSOARJQS-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000171147298 372373071 /nfs/dbraw/zinc/37/30/71/372373071.db2.gz MXZOLURSOARJQS-LLVKDONJSA-N 1 2 247.335 0.515 20 0 BCADLO CCc1cc(N[C@@H]2COCC[C@H]2O)nc[nH+]1 ZINC000631529832 372410933 /nfs/dbraw/zinc/41/09/33/372410933.db2.gz NSZRHIHFCSEVNP-NXEZZACHSA-N 1 2 223.276 0.601 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCO1 ZINC000288917325 181942537 /nfs/dbraw/zinc/94/25/37/181942537.db2.gz HULADTIQSPHPGR-UHFFFAOYSA-N 1 2 209.249 0.896 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@]2(CCOC2)C1 ZINC000371950999 181949149 /nfs/dbraw/zinc/94/91/49/181949149.db2.gz PQVLBXUMXUBEQY-ZDUSSCGKSA-N 1 2 249.314 0.912 20 0 BCADLO CC(C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000632021040 372727644 /nfs/dbraw/zinc/72/76/44/372727644.db2.gz XNIGYRIZRILUKA-LLVKDONJSA-N 1 2 242.367 0.330 20 0 BCADLO CC(C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000632021041 372727816 /nfs/dbraw/zinc/72/78/16/372727816.db2.gz XNIGYRIZRILUKA-NSHDSACASA-N 1 2 242.367 0.330 20 0 BCADLO CCCN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143357 372780414 /nfs/dbraw/zinc/78/04/14/372780414.db2.gz ULJLOLFLLFTKCJ-UHFFFAOYSA-N 1 2 232.309 0.086 20 0 BCADLO O=C(CO)NCCCCNc1cccc[nH+]1 ZINC000270816562 181985802 /nfs/dbraw/zinc/98/58/02/181985802.db2.gz QIWQBQNCWDSOLX-UHFFFAOYSA-N 1 2 223.276 0.382 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(F)F ZINC000171992100 372849030 /nfs/dbraw/zinc/84/90/30/372849030.db2.gz BYHKRJOEMLXJCS-RQJHMYQMSA-N 1 2 206.236 0.837 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(F)F ZINC000171992100 372849038 /nfs/dbraw/zinc/84/90/38/372849038.db2.gz BYHKRJOEMLXJCS-RQJHMYQMSA-N 1 2 206.236 0.837 20 0 BCADLO O=C(Cc1cccnc1)NCC[NH+]1CCOCC1 ZINC000074724274 182047657 /nfs/dbraw/zinc/04/76/57/182047657.db2.gz WMONTXYUYQPWMT-UHFFFAOYSA-N 1 2 249.314 0.073 20 0 BCADLO O=C(Cc1ccncc1)NCCn1cc[nH+]c1 ZINC000354913412 182055255 /nfs/dbraw/zinc/05/52/55/182055255.db2.gz CDDBJNQXFHCIGY-UHFFFAOYSA-N 1 2 230.271 0.637 20 0 BCADLO O=C(Cc1ccoc1)NCCn1cc[nH+]c1 ZINC000119430454 182056123 /nfs/dbraw/zinc/05/61/23/182056123.db2.gz QSXZQYYACQJBGZ-UHFFFAOYSA-N 1 2 219.244 0.835 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1(C(F)F)CC1 ZINC000337708269 182071585 /nfs/dbraw/zinc/07/15/85/182071585.db2.gz YZYDOHKBSCLQEA-UHFFFAOYSA-N 1 2 215.203 0.797 20 0 BCADLO CCS(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632729927 373118842 /nfs/dbraw/zinc/11/88/42/373118842.db2.gz KVPTUNNHWAXWRY-UHFFFAOYSA-N 1 2 231.321 0.558 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](n2cccn2)C1 ZINC000361197623 182071716 /nfs/dbraw/zinc/07/17/16/182071716.db2.gz INZSLHSTJSUMTM-NSHDSACASA-N 1 2 245.286 0.553 20 0 BCADLO Cc1cc(NC(=O)[C@]2(N)CC2(F)F)cc[nH+]1 ZINC000632825375 373171252 /nfs/dbraw/zinc/17/12/52/373171252.db2.gz RWDOJIYBRQAPEX-SECBINFHSA-N 1 2 227.214 0.487 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@]12CCOC2 ZINC000329755753 182085612 /nfs/dbraw/zinc/08/56/12/182085612.db2.gz YFSGKNIJVMJLCA-UFBFGSQYSA-N 1 2 234.255 0.574 20 0 BCADLO O=C(Nc1ccncc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000377463903 182085887 /nfs/dbraw/zinc/08/58/87/182085887.db2.gz HRWLLVPBXIZHQJ-JTQLQIEISA-N 1 2 242.282 0.901 20 0 BCADLO CC(C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047575011 205484480 /nfs/dbraw/zinc/48/44/80/205484480.db2.gz QGSPUTTWIHLQDV-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO Cc1csc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000173212480 373262458 /nfs/dbraw/zinc/26/24/58/373262458.db2.gz ZLGUSNAINIYKNM-QMMMGPOBSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1csc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000173212480 373262464 /nfs/dbraw/zinc/26/24/64/373262464.db2.gz ZLGUSNAINIYKNM-QMMMGPOBSA-N 1 2 225.317 0.901 20 0 BCADLO C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CC2)[C@@H]1C ZINC000633207180 373346295 /nfs/dbraw/zinc/34/62/95/373346295.db2.gz GKZRCCIJCNKUCG-GHMZBOCLSA-N 1 2 238.331 0.718 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(O)CCC1 ZINC000633289519 373452011 /nfs/dbraw/zinc/45/20/11/373452011.db2.gz RQBZISBYQLEMCI-SECBINFHSA-N 1 2 237.303 0.995 20 0 BCADLO O=C(CCC1(O)CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304370 373461987 /nfs/dbraw/zinc/46/19/87/373461987.db2.gz IWFPEACGXGGLSC-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCOCCF ZINC000633361574 373497203 /nfs/dbraw/zinc/49/72/03/373497203.db2.gz WAINQIZUBPOPDC-UHFFFAOYSA-N 1 2 244.270 0.537 20 0 BCADLO CN(C)c1noc(C[NH+]2CCC(O)CC2)n1 ZINC000185243838 205711233 /nfs/dbraw/zinc/71/12/33/205711233.db2.gz YFLMBIRSFQHFTJ-UHFFFAOYSA-N 1 2 226.280 0.092 20 0 BCADLO O=C(NCCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082262869 182170348 /nfs/dbraw/zinc/17/03/48/182170348.db2.gz SMDOHRSFQYLPSS-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000299245684 182178009 /nfs/dbraw/zinc/17/80/09/182178009.db2.gz XKJBFJHCDQAFCW-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000066895306 182179308 /nfs/dbraw/zinc/17/93/08/182179308.db2.gz VVYMXMRMMFWFHH-SNVBAGLBSA-N 1 2 223.276 0.426 20 0 BCADLO O=C(NCCF)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000366682385 182179369 /nfs/dbraw/zinc/17/93/69/182179369.db2.gz XRXLGVRUXJWWTC-SNVBAGLBSA-N 1 2 245.298 0.072 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]1C(F)F ZINC000338093465 182186703 /nfs/dbraw/zinc/18/67/03/182186703.db2.gz VEDRSJAFSYXTPG-IUCAKERBSA-N 1 2 248.273 0.336 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1C(F)F ZINC000338093464 182187424 /nfs/dbraw/zinc/18/74/24/182187424.db2.gz VEDRSJAFSYXTPG-DTWKUNHWSA-N 1 2 248.273 0.336 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)O1 ZINC000634020341 373901363 /nfs/dbraw/zinc/90/13/63/373901363.db2.gz MPZVYIGEPVAQHF-OUAUKWLOSA-N 1 2 237.303 0.955 20 0 BCADLO O=C(NCCc1cn[nH]c1)NCCn1cc[nH+]c1 ZINC000357996056 182210942 /nfs/dbraw/zinc/21/09/42/182210942.db2.gz WJNNCBHTSHCAGW-UHFFFAOYSA-N 1 2 248.290 0.148 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000128721428 182212019 /nfs/dbraw/zinc/21/20/19/182212019.db2.gz MBUCKOUVXNIUCR-SECBINFHSA-N 1 2 223.276 0.495 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000123085725 182212279 /nfs/dbraw/zinc/21/22/79/182212279.db2.gz OTJDIFBBSXLGQU-MRVPVSSYSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@]12CCOC2 ZINC000373405206 182217308 /nfs/dbraw/zinc/21/73/08/182217308.db2.gz DYRJBZBDSLQLQQ-ZYHUDNBSSA-N 1 2 235.287 0.426 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1COC1 ZINC000634255627 374059387 /nfs/dbraw/zinc/05/93/87/374059387.db2.gz SURNXXRAQVKXMD-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365778282 182220043 /nfs/dbraw/zinc/22/00/43/182220043.db2.gz PJAQGVGNZHEBJR-MWLCHTKSSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000365778282 182220045 /nfs/dbraw/zinc/22/00/45/182220045.db2.gz PJAQGVGNZHEBJR-MWLCHTKSSA-N 1 2 249.314 0.717 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1cnns1 ZINC000381357191 374114042 /nfs/dbraw/zinc/11/40/42/374114042.db2.gz DBPYMMKQLVBECA-UHFFFAOYSA-N 1 2 245.348 0.757 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1cnns1 ZINC000381357191 374114053 /nfs/dbraw/zinc/11/40/53/374114053.db2.gz DBPYMMKQLVBECA-UHFFFAOYSA-N 1 2 245.348 0.757 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365778281 182232876 /nfs/dbraw/zinc/23/28/76/182232876.db2.gz PJAQGVGNZHEBJR-KOLCDFICSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000365778281 182232877 /nfs/dbraw/zinc/23/28/77/182232877.db2.gz PJAQGVGNZHEBJR-KOLCDFICSA-N 1 2 249.314 0.717 20 0 BCADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@H]1CCOC1 ZINC000331503199 182242517 /nfs/dbraw/zinc/24/25/17/182242517.db2.gz IBJISVAEJFPTCT-MNOVXSKESA-N 1 2 249.314 0.913 20 0 BCADLO CCCNC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000042366771 374265740 /nfs/dbraw/zinc/26/57/40/374265740.db2.gz KDFJULGAMFUULG-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000042366771 374265746 /nfs/dbraw/zinc/26/57/46/374265746.db2.gz KDFJULGAMFUULG-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)n1 ZINC000042651742 374280161 /nfs/dbraw/zinc/28/01/61/374280161.db2.gz XHGSRTOPWRAUOV-APPZFPTMSA-N 1 2 211.265 0.896 20 0 BCADLO Cc1noc([C@@H](C)[N@H+]2CCC[C@H](O)C2)n1 ZINC000042651742 374280168 /nfs/dbraw/zinc/28/01/68/374280168.db2.gz XHGSRTOPWRAUOV-APPZFPTMSA-N 1 2 211.265 0.896 20 0 BCADLO O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000634412882 374242604 /nfs/dbraw/zinc/24/26/04/374242604.db2.gz XKDBIWCGRLQCKG-DCAQKATOSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCCO1 ZINC000070819752 182273261 /nfs/dbraw/zinc/27/32/61/182273261.db2.gz DBLJJARCHBIKQK-QMMMGPOBSA-N 1 2 209.249 0.595 20 0 BCADLO O=C(NN1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375408142 182276884 /nfs/dbraw/zinc/27/68/84/182276884.db2.gz BJHPYJPMKPIKLS-MRVPVSSYSA-N 1 2 233.262 0.501 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1c[nH]nc1C1CC1 ZINC000356478647 182271039 /nfs/dbraw/zinc/27/10/39/182271039.db2.gz LTTWBJFMHZQGGT-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1c[nH]nc1C1CC1 ZINC000356478647 182271043 /nfs/dbraw/zinc/27/10/43/182271043.db2.gz LTTWBJFMHZQGGT-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO OCc1nnc2n1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000426426560 206046476 /nfs/dbraw/zinc/04/64/76/206046476.db2.gz IIVRTYANTYTQEV-JTQLQIEISA-N 1 2 234.303 0.695 20 0 BCADLO OCc1nnc2n1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000426426560 206046480 /nfs/dbraw/zinc/04/64/80/206046480.db2.gz IIVRTYANTYTQEV-JTQLQIEISA-N 1 2 234.303 0.695 20 0 BCADLO CC(C)c1nnc(C[N@H+](CCO)CCCO)[nH]1 ZINC000428235706 206055374 /nfs/dbraw/zinc/05/53/74/206055374.db2.gz DMBPEAAKWDRVPD-UHFFFAOYSA-N 1 2 242.323 0.105 20 0 BCADLO CC(C)c1nnc(C[N@@H+](CCO)CCCO)[nH]1 ZINC000428235706 206055377 /nfs/dbraw/zinc/05/53/77/206055377.db2.gz DMBPEAAKWDRVPD-UHFFFAOYSA-N 1 2 242.323 0.105 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ncn1 ZINC000428234933 206056054 /nfs/dbraw/zinc/05/60/54/206056054.db2.gz FFRGCEUQPAMVTR-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)ncn1 ZINC000428234933 206056058 /nfs/dbraw/zinc/05/60/58/206056058.db2.gz FFRGCEUQPAMVTR-SNVBAGLBSA-N 1 2 220.276 0.235 20 0 BCADLO O=C(N[C@@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000359138818 182304628 /nfs/dbraw/zinc/30/46/28/182304628.db2.gz COTNEZOTOXMURT-SECBINFHSA-N 1 2 236.275 0.197 20 0 BCADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1nnn(C)n1 ZINC000440485146 206076677 /nfs/dbraw/zinc/07/66/77/206076677.db2.gz HYGNNGWHZGRTRW-VIFPVBQESA-N 1 2 221.308 0.975 20 0 BCADLO C[C@H]1CC2(CCC2)C[N@H+]1Cc1nnn(C)n1 ZINC000440485146 206076680 /nfs/dbraw/zinc/07/66/80/206076680.db2.gz HYGNNGWHZGRTRW-VIFPVBQESA-N 1 2 221.308 0.975 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccn[nH]1 ZINC000330265333 182314545 /nfs/dbraw/zinc/31/45/45/182314545.db2.gz ZCOLVEWLCVXCEX-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCOC1 ZINC000332899631 182341749 /nfs/dbraw/zinc/34/17/49/182341749.db2.gz UATIBESLTUJHRP-IUCAKERBSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCOC1 ZINC000332899631 182341752 /nfs/dbraw/zinc/34/17/52/182341752.db2.gz UATIBESLTUJHRP-IUCAKERBSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(Nc1cc(F)cc(F)c1)[C@H]1COCC[NH2+]1 ZINC000088357772 182349344 /nfs/dbraw/zinc/34/93/44/182349344.db2.gz CLSWLXPDUCIUMC-SNVBAGLBSA-N 1 2 242.225 0.892 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1COCC[NH2+]1 ZINC000083872117 182385963 /nfs/dbraw/zinc/38/59/63/182385963.db2.gz XOUFIGAWHZPCSQ-VIFPVBQESA-N 1 2 207.233 0.009 20 0 BCADLO O=C1OCC[C@H]1[NH+]1CCC(c2cnccn2)CC1 ZINC000370451782 182832823 /nfs/dbraw/zinc/83/28/23/182832823.db2.gz CMTITNUWLHXEIV-GFCCVEGCSA-N 1 2 247.298 0.972 20 0 BCADLO O=c1nc(C[N@H+](Cc2ccncc2)C2CC2)[nH][nH]1 ZINC000271597379 183010362 /nfs/dbraw/zinc/01/03/62/183010362.db2.gz AEDHDZCMVMDXQY-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO O=c1nc(C[N@@H+](Cc2ccncc2)C2CC2)[nH][nH]1 ZINC000271597379 183010365 /nfs/dbraw/zinc/01/03/65/183010365.db2.gz AEDHDZCMVMDXQY-UHFFFAOYSA-N 1 2 245.286 0.658 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2cncnc2C1 ZINC000330157473 183024623 /nfs/dbraw/zinc/02/46/23/183024623.db2.gz PKRDRAVTVKPSKU-NSHDSACASA-N 1 2 232.287 0.954 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCc2cncnc2C1 ZINC000330157473 183024625 /nfs/dbraw/zinc/02/46/25/183024625.db2.gz PKRDRAVTVKPSKU-NSHDSACASA-N 1 2 232.287 0.954 20 0 BCADLO OCC1(CNc2cc[nH+]c(C3CC3)n2)COC1 ZINC000120485425 183036802 /nfs/dbraw/zinc/03/68/02/183036802.db2.gz CNJIQDVWIXTBPR-UHFFFAOYSA-N 1 2 235.287 0.775 20 0 BCADLO OCCCSCC[NH2+]Cc1ccn[nH]1 ZINC000163921396 183061189 /nfs/dbraw/zinc/06/11/89/183061189.db2.gz DYHNLGZMJRZKLD-UHFFFAOYSA-N 1 2 215.322 0.615 20 0 BCADLO OCC[N@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000355529486 183068544 /nfs/dbraw/zinc/06/85/44/183068544.db2.gz JYAAWEPKBOQPSF-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000355529486 183068547 /nfs/dbraw/zinc/06/85/47/183068547.db2.gz JYAAWEPKBOQPSF-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362965666 183072954 /nfs/dbraw/zinc/07/29/54/183072954.db2.gz CXBOEMRDNJROBA-UHFFFAOYSA-N 1 2 246.261 0.500 20 0 BCADLO OCC[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362965666 183072956 /nfs/dbraw/zinc/07/29/56/183072956.db2.gz CXBOEMRDNJROBA-UHFFFAOYSA-N 1 2 246.261 0.500 20 0 BCADLO OCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340181247 183078821 /nfs/dbraw/zinc/07/88/21/183078821.db2.gz NTXAKPNDQUOCSL-JTQLQIEISA-N 1 2 236.250 0.615 20 0 BCADLO OCCNc1[nH+]c2ccccc2n1CCO ZINC000044787226 183080516 /nfs/dbraw/zinc/08/05/16/183080516.db2.gz IISHBAUPOSSKIO-UHFFFAOYSA-N 1 2 221.260 0.433 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000278209414 183086225 /nfs/dbraw/zinc/08/62/25/183086225.db2.gz REVJBTMSBQDBHL-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000278209414 183086228 /nfs/dbraw/zinc/08/62/28/183086228.db2.gz REVJBTMSBQDBHL-LLVKDONJSA-N 1 2 226.276 0.648 20 0 BCADLO OC[C@@H](CC(F)F)[NH2+]Cc1ccn[nH]1 ZINC000308501839 183105225 /nfs/dbraw/zinc/10/52/25/183105225.db2.gz AFRNXYGKYHENHR-SSDOTTSWSA-N 1 2 205.208 0.515 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCOC1 ZINC000309487751 183106773 /nfs/dbraw/zinc/10/67/73/183106773.db2.gz HCZUJPLAKMRJAJ-VHSXEESVSA-N 1 2 225.292 0.144 20 0 BCADLO OC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000161942016 183110523 /nfs/dbraw/zinc/11/05/23/183110523.db2.gz YDWHWZRZOXTPOH-QMMMGPOBSA-N 1 2 209.249 0.119 20 0 BCADLO OC[C@@H]1C[C@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000302289077 183131561 /nfs/dbraw/zinc/13/15/61/183131561.db2.gz KTSRMGABFGOMBP-IUCAKERBSA-N 1 2 233.271 0.495 20 0 BCADLO OC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000161942149 183143790 /nfs/dbraw/zinc/14/37/90/183143790.db2.gz YDWHWZRZOXTPOH-MRVPVSSYSA-N 1 2 209.249 0.119 20 0 BCADLO OC[C@@]1(F)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000287104899 183134223 /nfs/dbraw/zinc/13/42/23/183134223.db2.gz WMCLTWWEPIZCRW-SNVBAGLBSA-N 1 2 213.256 0.706 20 0 BCADLO OC[C@H](CC(F)F)[NH2+]Cc1ccn[nH]1 ZINC000308501840 183135678 /nfs/dbraw/zinc/13/56/78/183135678.db2.gz AFRNXYGKYHENHR-ZETCQYMHSA-N 1 2 205.208 0.515 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)[C@H]1CCOC1 ZINC000309487750 183137899 /nfs/dbraw/zinc/13/78/99/183137899.db2.gz HCZUJPLAKMRJAJ-UWVGGRQHSA-N 1 2 225.292 0.144 20 0 BCADLO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000292611132 183124138 /nfs/dbraw/zinc/12/41/38/183124138.db2.gz IAQZZPMFPVKWNE-ZJUUUORDSA-N 1 2 211.265 0.039 20 0 BCADLO OC[C@@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000363739027 183129958 /nfs/dbraw/zinc/12/99/58/183129958.db2.gz KTSRMGABFGOMBP-DTWKUNHWSA-N 1 2 233.271 0.495 20 0 BCADLO OC[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000332056400 183154831 /nfs/dbraw/zinc/15/48/31/183154831.db2.gz ZLIWGQSULWVKHL-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000271194427 183155003 /nfs/dbraw/zinc/15/50/03/183155003.db2.gz RCRCARRASSKVAQ-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000271194427 183155005 /nfs/dbraw/zinc/15/50/05/183155005.db2.gz RCRCARRASSKVAQ-GFCCVEGCSA-N 1 2 247.298 0.527 20 0 BCADLO OC[C@H]1C[C@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000355541360 183156256 /nfs/dbraw/zinc/15/62/56/183156256.db2.gz IPDXHUMZHNIXAS-ZJUUUORDSA-N 1 2 235.287 0.286 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000051887845 169041404 /nfs/dbraw/zinc/04/14/04/169041404.db2.gz WUKOEEQUBDAFPY-SNVBAGLBSA-N 1 2 239.323 0.287 20 0 BCADLO CCCCn1nnnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000051887845 169041406 /nfs/dbraw/zinc/04/14/06/169041406.db2.gz WUKOEEQUBDAFPY-SNVBAGLBSA-N 1 2 239.323 0.287 20 0 BCADLO O[C@@H](C[NH2+][C@@H]1CCn2ccnc21)C(F)(F)F ZINC000294055677 183180849 /nfs/dbraw/zinc/18/08/49/183180849.db2.gz JRFBLZSTEVTXRW-RQJHMYQMSA-N 1 2 235.209 0.841 20 0 BCADLO OCc1cccc(NCc2cncnc2)[nH+]1 ZINC000336666095 183168266 /nfs/dbraw/zinc/16/82/66/183168266.db2.gz FBJNOIDHIUPPLY-UHFFFAOYSA-N 1 2 216.244 0.976 20 0 BCADLO CCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339706880 169057428 /nfs/dbraw/zinc/05/74/28/169057428.db2.gz ZZBLEHADSPFWCS-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO O[C@@H](C[NH+]1CC(O)(C2CC2)C1)CC(F)(F)F ZINC000307931232 183176687 /nfs/dbraw/zinc/17/66/87/183176687.db2.gz BHPFPWPRFFZSIP-MRVPVSSYSA-N 1 2 239.237 0.756 20 0 BCADLO O[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000265451078 183201090 /nfs/dbraw/zinc/20/10/90/183201090.db2.gz UEFKKLYIFKQVAR-SNVBAGLBSA-N 1 2 234.303 0.870 20 0 BCADLO O[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000265451078 183201091 /nfs/dbraw/zinc/20/10/91/183201091.db2.gz UEFKKLYIFKQVAR-SNVBAGLBSA-N 1 2 234.303 0.870 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cn[nH]n3)C[C@@H]2C1 ZINC000331489932 183203539 /nfs/dbraw/zinc/20/35/39/183203539.db2.gz MWKFKMOXZUNMEG-WCABBAIRSA-N 1 2 222.292 0.398 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn[nH]n3)C[C@@H]2C1 ZINC000331489932 183203543 /nfs/dbraw/zinc/20/35/43/183203543.db2.gz MWKFKMOXZUNMEG-WCABBAIRSA-N 1 2 222.292 0.398 20 0 BCADLO CCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000371344483 169059465 /nfs/dbraw/zinc/05/94/65/169059465.db2.gz MWRGRPWAYOSKDC-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000371344483 169059468 /nfs/dbraw/zinc/05/94/68/169059468.db2.gz MWRGRPWAYOSKDC-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO O[C@H](CC[NH2+]Cc1ccn[nH]1)C(F)(F)F ZINC000308923943 183218912 /nfs/dbraw/zinc/21/89/12/183218912.db2.gz JWZNJTWTRHXOPL-SSDOTTSWSA-N 1 2 223.198 0.813 20 0 BCADLO CCC[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000123581109 169080247 /nfs/dbraw/zinc/08/02/47/169080247.db2.gz UYZPRSAFVZCEIE-UHFFFAOYSA-N 1 2 224.312 0.362 20 0 BCADLO CCC[N@@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000123581109 169080249 /nfs/dbraw/zinc/08/02/49/169080249.db2.gz UYZPRSAFVZCEIE-UHFFFAOYSA-N 1 2 224.312 0.362 20 0 BCADLO O[C@H](C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)C(F)(F)F ZINC000338386575 183223257 /nfs/dbraw/zinc/22/32/57/183223257.db2.gz ZZABBKQGTFQUCZ-GJMOJQLCSA-N 1 2 241.209 0.009 20 0 BCADLO O[C@H](C[N@H+]1C[C@@H]2COC[C@H](C1)O2)C(F)(F)F ZINC000338386575 183223258 /nfs/dbraw/zinc/22/32/58/183223258.db2.gz ZZABBKQGTFQUCZ-GJMOJQLCSA-N 1 2 241.209 0.009 20 0 BCADLO O[C@H](C[NH2+]Cc1cc[nH]n1)C(F)(F)F ZINC000163801717 183223530 /nfs/dbraw/zinc/22/35/30/183223530.db2.gz LKUFMAUYVYYRKT-ZCFIWIBFSA-N 1 2 209.171 0.423 20 0 BCADLO O[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1O ZINC000236533252 183208676 /nfs/dbraw/zinc/20/86/76/183208676.db2.gz BTMBCNDMLGYYFA-HTQZYQBOSA-N 1 2 248.204 0.642 20 0 BCADLO CCCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278419441 169090628 /nfs/dbraw/zinc/09/06/28/169090628.db2.gz ONFXOYHHUFYNDR-UHFFFAOYSA-N 1 2 220.280 0.792 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000340290376 183210253 /nfs/dbraw/zinc/21/02/53/183210253.db2.gz SNVDQKHNDORCPO-MJBXVCDLSA-N 1 2 249.310 0.820 20 0 BCADLO O[C@@H]1COC[C@@H]1[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000340290376 183210255 /nfs/dbraw/zinc/21/02/55/183210255.db2.gz SNVDQKHNDORCPO-MJBXVCDLSA-N 1 2 249.310 0.820 20 0 BCADLO CCCN(CC(=O)NC)c1cc[nH+]c(C)n1 ZINC000176733681 169095884 /nfs/dbraw/zinc/09/58/84/169095884.db2.gz FVIJXJKFXSDLHY-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO CCC[N@H+](CC(F)F)C[C@@](C)(O)C(=O)OC ZINC000353498131 169109063 /nfs/dbraw/zinc/10/90/63/169109063.db2.gz GBYYVGDAOPIGPP-SNVBAGLBSA-N 1 2 239.262 0.888 20 0 BCADLO CCC[N@@H+](CC(F)F)C[C@@](C)(O)C(=O)OC ZINC000353498131 169109066 /nfs/dbraw/zinc/10/90/66/169109066.db2.gz GBYYVGDAOPIGPP-SNVBAGLBSA-N 1 2 239.262 0.888 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000113503466 183240001 /nfs/dbraw/zinc/24/00/01/183240001.db2.gz NJRRTIKPVUWNRR-ZDUSSCGKSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000113503466 183240003 /nfs/dbraw/zinc/24/00/03/183240003.db2.gz NJRRTIKPVUWNRR-ZDUSSCGKSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1O ZINC000278908979 183243178 /nfs/dbraw/zinc/24/31/78/183243178.db2.gz VUUMUJFCHVYZKG-AOOOYVTPSA-N 1 2 240.328 0.558 20 0 BCADLO O[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1O ZINC000278908979 183243180 /nfs/dbraw/zinc/24/31/80/183243180.db2.gz VUUMUJFCHVYZKG-AOOOYVTPSA-N 1 2 240.328 0.558 20 0 BCADLO O[C@H]1C[NH+](Cc2cccnc2Cl)C[C@@H]1O ZINC000236594676 183244224 /nfs/dbraw/zinc/24/42/24/183244224.db2.gz QUNMVCJIVZEQKO-IUCAKERBSA-N 1 2 228.679 0.272 20 0 BCADLO CCC[N@H+](CCO)Cc1nnc(C)n1C ZINC000048347093 169166420 /nfs/dbraw/zinc/16/64/20/169166420.db2.gz TWAOZWRXKPSWJB-UHFFFAOYSA-N 1 2 212.297 0.328 20 0 BCADLO CCC[N@@H+](CCO)Cc1nnc(C)n1C ZINC000048347093 169166422 /nfs/dbraw/zinc/16/64/22/169166422.db2.gz TWAOZWRXKPSWJB-UHFFFAOYSA-N 1 2 212.297 0.328 20 0 BCADLO CCC[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000038021744 169171646 /nfs/dbraw/zinc/17/16/46/169171646.db2.gz CSBJZMAWEFFOPB-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000038021744 169171648 /nfs/dbraw/zinc/17/16/48/169171648.db2.gz CSBJZMAWEFFOPB-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO c1cn(CCc2nc(-c3ccncn3)no2)c[nH+]1 ZINC000338267236 183333394 /nfs/dbraw/zinc/33/33/94/183333394.db2.gz JAMDKYUGVYGLJW-UHFFFAOYSA-N 1 2 242.242 0.966 20 0 BCADLO c1c[nH+]c(CN2CCO[C@]3(CCCOC3)C2)[nH]1 ZINC000285418786 183325221 /nfs/dbraw/zinc/32/52/21/183325221.db2.gz VLQOPJCOQPRSOX-GFCCVEGCSA-N 1 2 237.303 0.791 20 0 BCADLO c1cc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)no1 ZINC000333161048 183331510 /nfs/dbraw/zinc/33/15/10/183331510.db2.gz IIUQFSQMAWKPMB-SECBINFHSA-N 1 2 247.258 0.397 20 0 BCADLO CCC[NH+]1CCN(C(=O)c2cncc(O)c2)CC1 ZINC000111738141 169201891 /nfs/dbraw/zinc/20/18/91/169201891.db2.gz RUWULKNBFMONRH-UHFFFAOYSA-N 1 2 249.314 0.955 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000336781835 169228477 /nfs/dbraw/zinc/22/84/77/169228477.db2.gz VWBXLSZRBYFTIW-SSDOTTSWSA-N 1 2 226.280 0.555 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)on1 ZINC000274386330 183345584 /nfs/dbraw/zinc/34/55/84/183345584.db2.gz GHAHIACBQNDGIF-NSHDSACASA-N 1 2 224.260 0.666 20 0 BCADLO c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)on1 ZINC000274386330 183345588 /nfs/dbraw/zinc/34/55/88/183345588.db2.gz GHAHIACBQNDGIF-NSHDSACASA-N 1 2 224.260 0.666 20 0 BCADLO CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105066443 169238151 /nfs/dbraw/zinc/23/81/51/169238151.db2.gz QHLFNLMUWDIVQS-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000247071574 169240873 /nfs/dbraw/zinc/24/08/73/169240873.db2.gz WPBICYISNUFQHU-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000247071574 169240874 /nfs/dbraw/zinc/24/08/74/169240874.db2.gz WPBICYISNUFQHU-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627003 169240932 /nfs/dbraw/zinc/24/09/32/169240932.db2.gz PQKMJHSLXUVKCX-MWLCHTKSSA-N 1 2 232.299 0.307 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627003 169240933 /nfs/dbraw/zinc/24/09/33/169240933.db2.gz PQKMJHSLXUVKCX-MWLCHTKSSA-N 1 2 232.299 0.307 20 0 BCADLO CCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339622172 169246905 /nfs/dbraw/zinc/24/69/05/169246905.db2.gz LGLFVGXXWZXNAE-UTUOFQBUSA-N 1 2 241.379 0.926 20 0 BCADLO CCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280740253 169248939 /nfs/dbraw/zinc/24/89/39/169248939.db2.gz JRAHJYQGADCVDQ-JTQLQIEISA-N 1 2 224.308 0.549 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435236 169299896 /nfs/dbraw/zinc/29/98/96/169299896.db2.gz RBHWFBIKZHRHOA-UWVGGRQHSA-N 1 2 227.304 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435236 169299899 /nfs/dbraw/zinc/29/98/99/169299899.db2.gz RBHWFBIKZHRHOA-UWVGGRQHSA-N 1 2 227.304 0.785 20 0 BCADLO COC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000224030095 134344535 /nfs/dbraw/zinc/34/45/35/134344535.db2.gz BCGUMPLEQBPLNY-UHFFFAOYSA-N 1 2 200.282 0.185 20 0 BCADLO CN(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000292298566 383823063 /nfs/dbraw/zinc/82/30/63/383823063.db2.gz LCMVXYXQHJGVIQ-UHFFFAOYSA-N 1 2 208.265 0.724 20 0 BCADLO CC[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000047878762 383838516 /nfs/dbraw/zinc/83/85/16/383838516.db2.gz ZMZKPGBDCHHWOE-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000047878762 383838527 /nfs/dbraw/zinc/83/85/27/383838527.db2.gz ZMZKPGBDCHHWOE-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccon2)CCO1 ZINC000523051970 259641410 /nfs/dbraw/zinc/64/14/10/259641410.db2.gz ZTVWAYZJVFYJLH-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccon2)CCO1 ZINC000523051970 259641411 /nfs/dbraw/zinc/64/14/11/259641411.db2.gz ZTVWAYZJVFYJLH-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO CNC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000585380943 383854065 /nfs/dbraw/zinc/85/40/65/383854065.db2.gz DCCDRHSYFGCEEW-UHFFFAOYSA-N 1 2 220.272 0.627 20 0 BCADLO CNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000585380943 383854068 /nfs/dbraw/zinc/85/40/68/383854068.db2.gz DCCDRHSYFGCEEW-UHFFFAOYSA-N 1 2 220.272 0.627 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000310074294 383881027 /nfs/dbraw/zinc/88/10/27/383881027.db2.gz CIFQTOBNIPNTQE-NAKRPEOUSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000310074294 383881038 /nfs/dbraw/zinc/88/10/38/383881038.db2.gz CIFQTOBNIPNTQE-NAKRPEOUSA-N 1 2 243.303 0.162 20 0 BCADLO O=S1(=O)CC[C@@H](COc2cc[nH+]cc2)C1 ZINC000559348783 383873247 /nfs/dbraw/zinc/87/32/47/383873247.db2.gz CMRPZQBFTXRLQS-VIFPVBQESA-N 1 2 227.285 0.895 20 0 BCADLO Cc1csc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000088595392 383915824 /nfs/dbraw/zinc/91/58/24/383915824.db2.gz MQCCKFDFFRCWCP-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1csc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000088595392 383915834 /nfs/dbraw/zinc/91/58/34/383915834.db2.gz MQCCKFDFFRCWCP-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000112344437 383919120 /nfs/dbraw/zinc/91/91/20/383919120.db2.gz OEARFRIKRUFRKN-ZJUUUORDSA-N 1 2 238.335 0.813 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(O)cc1O ZINC000088753332 383921576 /nfs/dbraw/zinc/92/15/76/383921576.db2.gz FEYFNBQMSBFGCE-UHFFFAOYSA-N 1 2 233.227 0.751 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(O)cc1O ZINC000088753332 383921581 /nfs/dbraw/zinc/92/15/81/383921581.db2.gz FEYFNBQMSBFGCE-UHFFFAOYSA-N 1 2 233.227 0.751 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000050116723 383924131 /nfs/dbraw/zinc/92/41/31/383924131.db2.gz WMEDUJIKEPLVLX-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000050116723 383924138 /nfs/dbraw/zinc/92/41/38/383924138.db2.gz WMEDUJIKEPLVLX-SECBINFHSA-N 1 2 223.276 0.904 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000348170338 383930333 /nfs/dbraw/zinc/93/03/33/383930333.db2.gz UCOYPRKZIDQWNH-IUCAKERBSA-N 1 2 223.276 0.841 20 0 BCADLO O=C([C@H]1COCC[NH2+]1)N1CCc2ccccc21 ZINC000088357752 383895160 /nfs/dbraw/zinc/89/51/60/383895160.db2.gz BXXBFMLKROWENY-LLVKDONJSA-N 1 2 232.283 0.564 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H](O)C1 ZINC000068264574 383980639 /nfs/dbraw/zinc/98/06/39/383980639.db2.gz POZPWYNSEGBCOC-LLVKDONJSA-N 1 2 245.282 0.931 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000292420857 383981621 /nfs/dbraw/zinc/98/16/21/383981621.db2.gz UCSIUVNSIKUZDI-JTQLQIEISA-N 1 2 240.307 0.236 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000647214181 383984282 /nfs/dbraw/zinc/98/42/82/383984282.db2.gz REPYZTFZSHXNJD-KKZNHRDASA-N 1 2 235.287 0.375 20 0 BCADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000293875815 383990868 /nfs/dbraw/zinc/99/08/68/383990868.db2.gz BIMSHKSBJYIRDK-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000332462391 383995726 /nfs/dbraw/zinc/99/57/26/383995726.db2.gz JEKOJKVCLUVSBK-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000332462391 383995731 /nfs/dbraw/zinc/99/57/31/383995731.db2.gz JEKOJKVCLUVSBK-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c(C)[nH+]1 ZINC000268000582 383951932 /nfs/dbraw/zinc/95/19/32/383951932.db2.gz MNQVDFSXYJFNKR-SNVBAGLBSA-N 1 2 233.271 0.916 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cscn1 ZINC000070714591 383959799 /nfs/dbraw/zinc/95/97/99/383959799.db2.gz XBPLXZMUPWACOH-JTQLQIEISA-N 1 2 244.316 0.499 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cscn1 ZINC000070714591 383959803 /nfs/dbraw/zinc/95/98/03/383959803.db2.gz XBPLXZMUPWACOH-JTQLQIEISA-N 1 2 244.316 0.499 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCCOC ZINC000569378176 383971448 /nfs/dbraw/zinc/97/14/48/383971448.db2.gz JIEDAOVZSSKWLT-UHFFFAOYSA-N 1 2 225.292 0.946 20 0 BCADLO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ncc[nH]1 ZINC000113345216 383977077 /nfs/dbraw/zinc/97/70/77/383977077.db2.gz JKLQPICTKOTWJY-UHFFFAOYSA-N 1 2 245.348 0.713 20 0 BCADLO CCOC(=O)[C@H]1CCCN1Cc1c[nH+]c[nH]1 ZINC000185619991 134386691 /nfs/dbraw/zinc/38/66/91/134386691.db2.gz MJYVBDVCICWPCW-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO CCOC(=O)[C@H]1CCCN1Cc1c[nH]c[nH+]1 ZINC000185619991 134386693 /nfs/dbraw/zinc/38/66/93/134386693.db2.gz MJYVBDVCICWPCW-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000278578069 384019781 /nfs/dbraw/zinc/01/97/81/384019781.db2.gz FLRRPJUNNMYRKR-WDEREUQCSA-N 1 2 225.292 0.693 20 0 BCADLO Cc1nc(N[C@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000090031906 384021956 /nfs/dbraw/zinc/02/19/56/384021956.db2.gz CDULRQUCRNDADF-QMMMGPOBSA-N 1 2 234.259 0.344 20 0 BCADLO Cc1nc(C[N@H+](CCO)C2CCC2)no1 ZINC000221165490 384013406 /nfs/dbraw/zinc/01/34/06/384013406.db2.gz OOXDMEHBYFBFEC-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C2CCC2)no1 ZINC000221165490 384013416 /nfs/dbraw/zinc/01/34/16/384013416.db2.gz OOXDMEHBYFBFEC-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCO1 ZINC000408078083 134388198 /nfs/dbraw/zinc/38/81/98/134388198.db2.gz AOKCTRYRIJXZGT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCO1 ZINC000408078083 134388199 /nfs/dbraw/zinc/38/81/99/134388199.db2.gz AOKCTRYRIJXZGT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)s1 ZINC000309590392 384033474 /nfs/dbraw/zinc/03/34/74/384033474.db2.gz UOTMKCMGUGBWAY-SVRRBLITSA-N 1 2 240.332 0.728 20 0 BCADLO Cc1n[nH]cc1CNC(=O)CCn1cc[nH+]c1 ZINC000038011440 384052966 /nfs/dbraw/zinc/05/29/66/384052966.db2.gz GVXDCHUUUYWOMJ-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000408082437 134389403 /nfs/dbraw/zinc/38/94/03/134389403.db2.gz GRHQJSRJLVGDQM-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO CO[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000234838517 384072613 /nfs/dbraw/zinc/07/26/13/384072613.db2.gz QGTVTRXNBOPDLT-JGVFFNPUSA-N 1 2 225.296 0.113 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000050049067 384100510 /nfs/dbraw/zinc/10/05/10/384100510.db2.gz OSWPYIHJCGZTMU-VIFPVBQESA-N 1 2 223.276 0.558 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)OC ZINC000050047757 384101473 /nfs/dbraw/zinc/10/14/73/384101473.db2.gz IXRSCLIFXVMTCQ-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)OC ZINC000050047757 384101476 /nfs/dbraw/zinc/10/14/76/384101476.db2.gz IXRSCLIFXVMTCQ-MRVPVSSYSA-N 1 2 217.265 0.433 20 0 BCADLO COc1ncccc1C(=O)N1CC[NH+](C)CC1 ZINC000070250424 384092322 /nfs/dbraw/zinc/09/23/22/384092322.db2.gz MAJOOBYHNPTELW-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO Cn1ccsc1=NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188684706 384125270 /nfs/dbraw/zinc/12/52/70/384125270.db2.gz CLLUGOPZNRUQCK-UCNOFYGBSA-N 1 2 229.280 0.214 20 0 BCADLO Cn1ncnc1C[N@H+](CCO)C1CCC1 ZINC000221204855 384126717 /nfs/dbraw/zinc/12/67/17/384126717.db2.gz NOLUAMMXWHYRCP-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@@H+](CCO)C1CCC1 ZINC000221204855 384126725 /nfs/dbraw/zinc/12/67/25/384126725.db2.gz NOLUAMMXWHYRCP-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO COC(=O)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260049 384128601 /nfs/dbraw/zinc/12/86/01/384128601.db2.gz FKIYJDVLQQXMLC-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[C@@H](NC(=O)[C@H](C)NC(C)=O)c1[nH]cc[nH+]1 ZINC000140597768 384151520 /nfs/dbraw/zinc/15/15/20/384151520.db2.gz CKLNWOSDHBIFTA-IONNQARKSA-N 1 2 238.291 0.502 20 0 BCADLO C[C@H]([NH2+]Cc1nccn1C)C(=O)NC(C)(C)C ZINC000071138929 384151787 /nfs/dbraw/zinc/15/17/87/384151787.db2.gz RFKQUXVLRITSJR-VIFPVBQESA-N 1 2 238.335 0.813 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CO)on1 ZINC000517755203 384154372 /nfs/dbraw/zinc/15/43/72/384154372.db2.gz QRHJKCJPTNBDBJ-SECBINFHSA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CCC[C@@H]2CO)on1 ZINC000517755203 384154378 /nfs/dbraw/zinc/15/43/78/384154378.db2.gz QRHJKCJPTNBDBJ-SECBINFHSA-N 1 2 224.260 0.834 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000157139316 384157140 /nfs/dbraw/zinc/15/71/40/384157140.db2.gz JYJLAWCBVDCOQG-LLVKDONJSA-N 1 2 238.335 0.811 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000157139316 384157147 /nfs/dbraw/zinc/15/71/47/384157147.db2.gz JYJLAWCBVDCOQG-LLVKDONJSA-N 1 2 238.335 0.811 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC000227983207 134396725 /nfs/dbraw/zinc/39/67/25/134396725.db2.gz XHVFMVKPVOZKGI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO Cc1cnc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000408441119 384201204 /nfs/dbraw/zinc/20/12/04/384201204.db2.gz GXSZUZPKWQHWIP-CIUDSAMLSA-N 1 2 212.249 0.081 20 0 BCADLO COC[C@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000647159769 384186830 /nfs/dbraw/zinc/18/68/30/384186830.db2.gz ZXHNCQXUIZYFPT-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccsc1 ZINC000071928320 384188347 /nfs/dbraw/zinc/18/83/47/384188347.db2.gz PYTKEDVWDHMHGL-ZJUUUORDSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccsc1 ZINC000071928320 384188352 /nfs/dbraw/zinc/18/83/52/384188352.db2.gz PYTKEDVWDHMHGL-ZJUUUORDSA-N 1 2 241.312 0.856 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)o1 ZINC000092735062 384190945 /nfs/dbraw/zinc/19/09/45/384190945.db2.gz ULPCMQWIVNIWOT-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)o1 ZINC000092735062 384190950 /nfs/dbraw/zinc/19/09/50/384190950.db2.gz ULPCMQWIVNIWOT-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000408424475 384195087 /nfs/dbraw/zinc/19/50/87/384195087.db2.gz CSUBMSLKWDPQNK-SSDOTTSWSA-N 1 2 226.305 0.235 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000408424475 384195092 /nfs/dbraw/zinc/19/50/92/384195092.db2.gz CSUBMSLKWDPQNK-SSDOTTSWSA-N 1 2 226.305 0.235 20 0 BCADLO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000041953872 384200511 /nfs/dbraw/zinc/20/05/11/384200511.db2.gz NXECYPXVEDYKAJ-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO Cc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)no1 ZINC000081900971 384212043 /nfs/dbraw/zinc/21/20/43/384212043.db2.gz BHZSDEQUVDJNBU-SSDOTTSWSA-N 1 2 232.305 0.506 20 0 BCADLO CS[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000132209151 384223193 /nfs/dbraw/zinc/22/31/93/384223193.db2.gz ALQKNIARYAHVIY-VIFPVBQESA-N 1 2 242.348 0.934 20 0 BCADLO Cn1ccnc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000082394987 384228857 /nfs/dbraw/zinc/22/88/57/384228857.db2.gz WUFYPFZSAMLDEF-LURJTMIESA-N 1 2 223.198 0.433 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccnn1C ZINC000158567982 384247812 /nfs/dbraw/zinc/24/78/12/384247812.db2.gz ACBIBAANYTUDNH-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccnn1C ZINC000158567982 384247819 /nfs/dbraw/zinc/24/78/19/384247819.db2.gz ACBIBAANYTUDNH-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1nc(NCCC[C@H](C)CO)nc(N)[nH+]1 ZINC000304435199 384305764 /nfs/dbraw/zinc/30/57/64/384305764.db2.gz GYBRCHXENOKVKY-ZETCQYMHSA-N 1 2 225.296 0.583 20 0 BCADLO Cc1nc(N)nc(NCCC[C@H](C)CO)[nH+]1 ZINC000304435199 384305766 /nfs/dbraw/zinc/30/57/66/384305766.db2.gz GYBRCHXENOKVKY-ZETCQYMHSA-N 1 2 225.296 0.583 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000359618686 384306275 /nfs/dbraw/zinc/30/62/75/384306275.db2.gz HUXTXIPYMZNUDD-WOPDTQHZSA-N 1 2 240.347 0.964 20 0 BCADLO OC1(C[N@@H+]2CCn3cnnc3C2)CCCC1 ZINC000083588144 384313931 /nfs/dbraw/zinc/31/39/31/384313931.db2.gz IEJLFQQTQAHKSK-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO OC1(C[N@H+]2CCn3cnnc3C2)CCCC1 ZINC000083588144 384313937 /nfs/dbraw/zinc/31/39/37/384313937.db2.gz IEJLFQQTQAHKSK-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO C[C@H](CCCO)Nc1[nH+]cnc2c1cnn2C ZINC000094944806 384319483 /nfs/dbraw/zinc/31/94/83/384319483.db2.gz WBUOWVXJJOZEMF-MRVPVSSYSA-N 1 2 235.291 0.936 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000304414374 384286070 /nfs/dbraw/zinc/28/60/70/384286070.db2.gz CPJUOMFUMLRINM-IUCAKERBSA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000304414374 384286077 /nfs/dbraw/zinc/28/60/77/384286077.db2.gz CPJUOMFUMLRINM-IUCAKERBSA-N 1 2 219.292 0.999 20 0 BCADLO CC[C@H](CCO)CNc1nc(C)[nH+]c(N)n1 ZINC000304428868 384298391 /nfs/dbraw/zinc/29/83/91/384298391.db2.gz FVTNKCXNFDTKGL-MRVPVSSYSA-N 1 2 225.296 0.583 20 0 BCADLO CC[C@H](CCO)CNc1nc(N)nc(C)[nH+]1 ZINC000304428868 384298401 /nfs/dbraw/zinc/29/84/01/384298401.db2.gz FVTNKCXNFDTKGL-MRVPVSSYSA-N 1 2 225.296 0.583 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)O ZINC000394004362 384302629 /nfs/dbraw/zinc/30/26/29/384302629.db2.gz MVFVQEUKVHXYKX-SSDOTTSWSA-N 1 2 235.291 0.935 20 0 BCADLO Cc1nc(N[C@H](C)[C@H]2CCOC2)nc(N)[nH+]1 ZINC000304503443 384335696 /nfs/dbraw/zinc/33/56/96/384335696.db2.gz QNIUQQYNOLFTKN-SVRRBLITSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)[C@H]2CCOC2)[nH+]1 ZINC000304503443 384335702 /nfs/dbraw/zinc/33/57/02/384335702.db2.gz QNIUQQYNOLFTKN-SVRRBLITSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1cnc(NC(=O)[C@@H]2COCC[NH2+]2)s1 ZINC000083872049 384338420 /nfs/dbraw/zinc/33/84/20/384338420.db2.gz OGMKQYKJDVQALG-ZETCQYMHSA-N 1 2 227.289 0.378 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1c1ncnc(N)c1Cl ZINC000235326874 384343397 /nfs/dbraw/zinc/34/33/97/384343397.db2.gz XORWITQHLDFZKJ-SSDOTTSWSA-N 1 2 241.726 0.853 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1c1ncnc(N)c1Cl ZINC000235326874 384343402 /nfs/dbraw/zinc/34/34/02/384343402.db2.gz XORWITQHLDFZKJ-SSDOTTSWSA-N 1 2 241.726 0.853 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC(C)C ZINC000120289372 384344852 /nfs/dbraw/zinc/34/48/52/384344852.db2.gz JBCOIGFHCCANOZ-UHFFFAOYSA-N 1 2 224.308 0.675 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NC(C)C ZINC000120289372 384344858 /nfs/dbraw/zinc/34/48/58/384344858.db2.gz JBCOIGFHCCANOZ-UHFFFAOYSA-N 1 2 224.308 0.675 20 0 BCADLO COc1nccnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000095076450 384353154 /nfs/dbraw/zinc/35/31/54/384353154.db2.gz MUKBXFSYZRXTFN-VIFPVBQESA-N 1 2 223.276 0.442 20 0 BCADLO COc1nccnc1C[N@H+]1CCC[C@H](O)C1 ZINC000095076450 384353158 /nfs/dbraw/zinc/35/31/58/384353158.db2.gz MUKBXFSYZRXTFN-VIFPVBQESA-N 1 2 223.276 0.442 20 0 BCADLO COC[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304523966 384353246 /nfs/dbraw/zinc/35/32/46/384353246.db2.gz SMMKOLLGJSHXER-QMMMGPOBSA-N 1 2 223.280 0.235 20 0 BCADLO COC[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304523966 384353252 /nfs/dbraw/zinc/35/32/52/384353252.db2.gz SMMKOLLGJSHXER-QMMMGPOBSA-N 1 2 223.280 0.235 20 0 BCADLO Cc1nc(CC[N@@H+]2CCNC(=O)[C@@H]2C)cs1 ZINC000120517250 384358831 /nfs/dbraw/zinc/35/88/31/384358831.db2.gz AGKNZKXEHJTUOD-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1nc(CC[N@H+]2CCNC(=O)[C@@H]2C)cs1 ZINC000120517250 384358837 /nfs/dbraw/zinc/35/88/37/384358837.db2.gz AGKNZKXEHJTUOD-QMMMGPOBSA-N 1 2 239.344 0.814 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081722 384362376 /nfs/dbraw/zinc/36/23/76/384362376.db2.gz AXQKOECBFHXUGD-VIFPVBQESA-N 1 2 209.249 0.595 20 0 BCADLO O=C(C[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081722 384362384 /nfs/dbraw/zinc/36/23/84/384362384.db2.gz AXQKOECBFHXUGD-VIFPVBQESA-N 1 2 209.249 0.595 20 0 BCADLO CCC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000134547411 384363854 /nfs/dbraw/zinc/36/38/54/384363854.db2.gz PESKJNGDZKICTF-MRVPVSSYSA-N 1 2 235.291 0.936 20 0 BCADLO Cc1nnsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081744 384365834 /nfs/dbraw/zinc/36/58/34/384365834.db2.gz IHNGIGMLGOWKRT-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1nnsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081744 384365837 /nfs/dbraw/zinc/36/58/37/384365837.db2.gz IHNGIGMLGOWKRT-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1nc(NCc2cnn(C)c2)nc(N)[nH+]1 ZINC000304530801 384368527 /nfs/dbraw/zinc/36/85/27/384368527.db2.gz UFCJLOCSNLCTFQ-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO Cc1nc(N)nc(NCc2cnn(C)c2)[nH+]1 ZINC000304530801 384368532 /nfs/dbraw/zinc/36/85/32/384368532.db2.gz UFCJLOCSNLCTFQ-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332644719 384325018 /nfs/dbraw/zinc/32/50/18/384325018.db2.gz LDYLFSFNOOLZGH-WDEREUQCSA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332644719 384325022 /nfs/dbraw/zinc/32/50/22/384325022.db2.gz LDYLFSFNOOLZGH-WDEREUQCSA-N 1 2 238.335 0.889 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332669057 384327667 /nfs/dbraw/zinc/32/76/67/384327667.db2.gz QHIRMMXRCVJAHC-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332669057 384327672 /nfs/dbraw/zinc/32/76/72/384327672.db2.gz QHIRMMXRCVJAHC-VHSXEESVSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000358629398 384329523 /nfs/dbraw/zinc/32/95/23/384329523.db2.gz MLHKKQPKTRUPHC-MRVPVSSYSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000358629398 384329527 /nfs/dbraw/zinc/32/95/27/384329527.db2.gz MLHKKQPKTRUPHC-MRVPVSSYSA-N 1 2 213.306 0.803 20 0 BCADLO COC[C@@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000120141243 384331782 /nfs/dbraw/zinc/33/17/82/384331782.db2.gz WEQORKFTVKAUPE-JTQLQIEISA-N 1 2 239.275 0.519 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1cnccn1 ZINC000134123836 384334333 /nfs/dbraw/zinc/33/43/33/384334333.db2.gz UJABCZYDPSXZNO-UHFFFAOYSA-N 1 2 222.292 0.245 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000160250761 384397346 /nfs/dbraw/zinc/39/73/46/384397346.db2.gz CHAFOTVCTLEVOH-ZJUUUORDSA-N 1 2 225.292 0.406 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC(=O)N(C)C ZINC000121166149 384400138 /nfs/dbraw/zinc/40/01/38/384400138.db2.gz RGLPDYSRZOQOOT-UHFFFAOYSA-N 1 2 236.275 0.600 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000443481936 384426348 /nfs/dbraw/zinc/42/63/48/384426348.db2.gz GSCMDONWYSVZLE-UWVGGRQHSA-N 1 2 240.307 0.606 20 0 BCADLO C[C@@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000135012795 384406864 /nfs/dbraw/zinc/40/68/64/384406864.db2.gz QILFBWSNSIUQBJ-SSDOTTSWSA-N 1 2 209.249 0.467 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](O)CC2)no1 ZINC000331649744 384411562 /nfs/dbraw/zinc/41/15/62/384411562.db2.gz OIMCUAKUBMBOFB-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](O)CC2)no1 ZINC000331649744 384411563 /nfs/dbraw/zinc/41/15/63/384411563.db2.gz OIMCUAKUBMBOFB-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(N[C@@H](CO)c2ccccc2)nc(N)[nH+]1 ZINC000302596389 384376093 /nfs/dbraw/zinc/37/60/93/384376093.db2.gz HVGNCGUEYZOORB-JTQLQIEISA-N 1 2 245.286 0.908 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)c2ccccc2)[nH+]1 ZINC000302596389 384376095 /nfs/dbraw/zinc/37/60/95/384376095.db2.gz HVGNCGUEYZOORB-JTQLQIEISA-N 1 2 245.286 0.908 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H](C)O1 ZINC000247581839 384377327 /nfs/dbraw/zinc/37/73/27/384377327.db2.gz LPMPYYQJEWSEDH-DJLDLDEBSA-N 1 2 200.282 0.360 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H](C)O1 ZINC000247581839 384377330 /nfs/dbraw/zinc/37/73/30/384377330.db2.gz LPMPYYQJEWSEDH-DJLDLDEBSA-N 1 2 200.282 0.360 20 0 BCADLO Cc1c[nH]c(CN(C)CCNC(=O)C(C)C)[nH+]1 ZINC000628191123 384449568 /nfs/dbraw/zinc/44/95/68/384449568.db2.gz AHBIULIWXILDSY-UHFFFAOYSA-N 1 2 238.335 0.922 20 0 BCADLO Cc1[nH]c(CN2CC[C@@H](NC(N)=O)C2)[nH+]c1C ZINC000628191201 384451220 /nfs/dbraw/zinc/45/12/20/384451220.db2.gz CWKFLRBNAFOXNN-SECBINFHSA-N 1 2 237.307 0.269 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCN1CCCC1=O ZINC000556686293 384453814 /nfs/dbraw/zinc/45/38/14/384453814.db2.gz WUJHZYJGXOPYLO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCN1CCCC1=O ZINC000556686293 384453821 /nfs/dbraw/zinc/45/38/21/384453821.db2.gz WUJHZYJGXOPYLO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560985618 384436229 /nfs/dbraw/zinc/43/62/29/384436229.db2.gz CVUAQDNVGUWKDJ-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCOCC1CC1 ZINC000121791720 384438535 /nfs/dbraw/zinc/43/85/35/384438535.db2.gz IABTXKQINZQGEH-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1CC1 ZINC000121791720 384438539 /nfs/dbraw/zinc/43/85/39/384438539.db2.gz IABTXKQINZQGEH-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2CCOC2)c1Cl ZINC000236393640 384439189 /nfs/dbraw/zinc/43/91/89/384439189.db2.gz HYHXGBOLAZHBES-RXMQYKEDSA-N 1 2 214.656 0.913 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2CCOC2)c1Cl ZINC000236393640 384439199 /nfs/dbraw/zinc/43/91/99/384439199.db2.gz HYHXGBOLAZHBES-RXMQYKEDSA-N 1 2 214.656 0.913 20 0 BCADLO Cc1n[nH]cc1C(=O)N1CC[NH+](C)CC1 ZINC000067952501 384460275 /nfs/dbraw/zinc/46/02/75/384460275.db2.gz RIKKLDGZXSAXAX-UHFFFAOYSA-N 1 2 208.265 0.106 20 0 BCADLO C[C@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000078771665 384462274 /nfs/dbraw/zinc/46/22/74/384462274.db2.gz PPBSLQLLRADWFO-ZETCQYMHSA-N 1 2 221.264 0.546 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249069520 384477111 /nfs/dbraw/zinc/47/71/11/384477111.db2.gz KSQGMNYMUPCIDO-KXUCPTDWSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249069520 384477116 /nfs/dbraw/zinc/47/71/16/384477116.db2.gz KSQGMNYMUPCIDO-KXUCPTDWSA-N 1 2 243.303 0.679 20 0 BCADLO C[C@@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000096810397 384480872 /nfs/dbraw/zinc/48/08/72/384480872.db2.gz UEMDQFAYWHUBHS-ZETCQYMHSA-N 1 2 221.264 0.546 20 0 BCADLO CC[C@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000047601339 384458884 /nfs/dbraw/zinc/45/88/84/384458884.db2.gz OLABLHSNSYKONK-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2nn[nH]n2)[C@@H]1C ZINC000556810663 384498389 /nfs/dbraw/zinc/49/83/89/384498389.db2.gz NVYPHLCGVPKXEJ-HTQZYQBOSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nn[nH]n2)[C@@H]1C ZINC000556810663 384498390 /nfs/dbraw/zinc/49/83/90/384498390.db2.gz NVYPHLCGVPKXEJ-HTQZYQBOSA-N 1 2 238.295 0.259 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249832 384504458 /nfs/dbraw/zinc/50/44/58/384504458.db2.gz WQINAIUFJNPLGL-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO COC[C@H]1C[N@H+](Cc2c[nH]nc2C)C[C@H](C)O1 ZINC000249228873 384493624 /nfs/dbraw/zinc/49/36/24/384493624.db2.gz VHRRSEFLCHKOMA-JOYOIKCWSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2c[nH]nc2C)C[C@H](C)O1 ZINC000249228873 384493627 /nfs/dbraw/zinc/49/36/27/384493627.db2.gz VHRRSEFLCHKOMA-JOYOIKCWSA-N 1 2 239.319 0.954 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CCCO ZINC000300764082 384534177 /nfs/dbraw/zinc/53/41/77/384534177.db2.gz BGRDJYHCXJCMKC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CCCO ZINC000300764082 384534182 /nfs/dbraw/zinc/53/41/82/384534182.db2.gz BGRDJYHCXJCMKC-UHFFFAOYSA-N 1 2 212.297 0.502 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000170817784 384521886 /nfs/dbraw/zinc/52/18/86/384521886.db2.gz OEYHUZISNDUKJZ-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000170817784 384521891 /nfs/dbraw/zinc/52/18/91/384521891.db2.gz OEYHUZISNDUKJZ-SNVBAGLBSA-N 1 2 239.323 0.865 20 0 BCADLO CCOCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049153538 384522299 /nfs/dbraw/zinc/52/22/99/384522299.db2.gz RQNSBPLDSWZDER-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnc(C)n2C)C1 ZINC000170817800 384522201 /nfs/dbraw/zinc/52/22/01/384522201.db2.gz DEQANBVIWQIRCX-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000170817800 384522208 /nfs/dbraw/zinc/52/22/08/384522208.db2.gz DEQANBVIWQIRCX-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(N)=O ZINC000072979073 384529661 /nfs/dbraw/zinc/52/96/61/384529661.db2.gz CLSFPLGFTWEODR-SECBINFHSA-N 1 2 200.282 0.219 20 0 BCADLO CC(C)C[C@@H]1COCC[N@H+]1CC(N)=O ZINC000072979073 384529663 /nfs/dbraw/zinc/52/96/63/384529663.db2.gz CLSFPLGFTWEODR-SECBINFHSA-N 1 2 200.282 0.219 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000172182779 384544132 /nfs/dbraw/zinc/54/41/32/384544132.db2.gz PYASVUZZFLOBPC-CYBMUJFWSA-N 1 2 249.314 0.419 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000172182779 384544137 /nfs/dbraw/zinc/54/41/37/384544137.db2.gz PYASVUZZFLOBPC-CYBMUJFWSA-N 1 2 249.314 0.419 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)[C@H](C)CC ZINC000183587491 384546711 /nfs/dbraw/zinc/54/67/11/384546711.db2.gz ZJUGYBDSIKJCNT-ZJUUUORDSA-N 1 2 217.309 0.936 20 0 BCADLO Nc1[nH+]cnc(N2CC(O)(C3CC3)C2)c1Cl ZINC000373013560 384539700 /nfs/dbraw/zinc/53/97/00/384539700.db2.gz JBOGVABHASJVAM-UHFFFAOYSA-N 1 2 240.694 0.673 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000162074082 384570108 /nfs/dbraw/zinc/57/01/08/384570108.db2.gz NYWPMWKRPRPHIP-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1nccc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000162074082 384570113 /nfs/dbraw/zinc/57/01/13/384570113.db2.gz NYWPMWKRPRPHIP-SNVBAGLBSA-N 1 2 222.292 0.260 20 0 BCADLO Cn1ncnc1C[N@H+](C)CCc1ccccn1 ZINC000080657947 384572282 /nfs/dbraw/zinc/57/22/82/384572282.db2.gz YJDUGEQLDRAWBO-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CCc1ccccn1 ZINC000080657947 384572286 /nfs/dbraw/zinc/57/22/86/384572286.db2.gz YJDUGEQLDRAWBO-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO CCCCNC(=O)COCc1[nH]cc[nH+]1 ZINC000123722887 384577390 /nfs/dbraw/zinc/57/73/90/384577390.db2.gz JIRCEMBHTRLHFS-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO C[C@@](O)(C[NH+]1CC(O)(C2CC2)C1)C(F)(F)F ZINC000309754550 384583828 /nfs/dbraw/zinc/58/38/28/384583828.db2.gz LGLRXTPQNFADRR-MRVPVSSYSA-N 1 2 239.237 0.756 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](CCO)C(C)C)n1 ZINC000176366434 384612348 /nfs/dbraw/zinc/61/23/48/384612348.db2.gz QRGJWMZOSRUATH-SECBINFHSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000176366434 384612356 /nfs/dbraw/zinc/61/23/56/384612356.db2.gz QRGJWMZOSRUATH-SECBINFHSA-N 1 2 243.307 0.980 20 0 BCADLO CNC(=O)C1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000408062394 384615677 /nfs/dbraw/zinc/61/56/77/384615677.db2.gz ONMGBUNSGIFMLJ-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO Cc1nc(N2CCO[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000338776507 384620834 /nfs/dbraw/zinc/62/08/34/384620834.db2.gz LDZKMKSHUDKLHL-QMMMGPOBSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCO[C@@H](C)C2)[nH+]1 ZINC000338776507 384620838 /nfs/dbraw/zinc/62/08/38/384620838.db2.gz LDZKMKSHUDKLHL-QMMMGPOBSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000047628856 384624562 /nfs/dbraw/zinc/62/45/62/384624562.db2.gz IOHNXKIMHVKCTJ-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000047628856 384624565 /nfs/dbraw/zinc/62/45/65/384624565.db2.gz IOHNXKIMHVKCTJ-JTQLQIEISA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000556900528 384627524 /nfs/dbraw/zinc/62/75/24/384627524.db2.gz RLUVWYXSIOUUIA-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000556900528 384627532 /nfs/dbraw/zinc/62/75/32/384627532.db2.gz RLUVWYXSIOUUIA-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cnc2cnccn12 ZINC000162474864 384628184 /nfs/dbraw/zinc/62/81/84/384628184.db2.gz CPUVSYYNDWCNFL-UHFFFAOYSA-N 1 2 247.302 0.249 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000162474864 384628191 /nfs/dbraw/zinc/62/81/91/384628191.db2.gz CPUVSYYNDWCNFL-UHFFFAOYSA-N 1 2 247.302 0.249 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cncs1 ZINC000162471633 384629979 /nfs/dbraw/zinc/62/99/79/384629979.db2.gz TZSDYSUEMSXGAW-UHFFFAOYSA-N 1 2 213.306 0.663 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cncs1 ZINC000162471633 384629987 /nfs/dbraw/zinc/62/99/87/384629987.db2.gz TZSDYSUEMSXGAW-UHFFFAOYSA-N 1 2 213.306 0.663 20 0 BCADLO C[C@@H]([NH2+]C1COC1)c1nnc2n1CCCC2 ZINC000309811954 384631102 /nfs/dbraw/zinc/63/11/02/384631102.db2.gz UKXDLGHXEUDMNE-MRVPVSSYSA-N 1 2 222.292 0.664 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000309844505 384664321 /nfs/dbraw/zinc/66/43/21/384664321.db2.gz FWRWXEQQLVUILE-MNOVXSKESA-N 1 2 225.292 0.348 20 0 BCADLO Cn1cc(-c2cc(C[NH+]3CCOCC3)on2)cn1 ZINC000184971489 384668208 /nfs/dbraw/zinc/66/82/08/384668208.db2.gz LGULHNRTNUYPDY-UHFFFAOYSA-N 1 2 248.286 0.907 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000061710875 384670332 /nfs/dbraw/zinc/67/03/32/384670332.db2.gz BQFNUNASKGRBIG-VIFPVBQESA-N 1 2 208.261 0.274 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061710875 384670334 /nfs/dbraw/zinc/67/03/34/384670334.db2.gz BQFNUNASKGRBIG-VIFPVBQESA-N 1 2 208.261 0.274 20 0 BCADLO NC(=O)C1=NO[C@@H](CNc2cccc[nH+]2)C1 ZINC000289538248 384674625 /nfs/dbraw/zinc/67/46/25/384674625.db2.gz FHIOVTOPXZIBTQ-SSDOTTSWSA-N 1 2 220.232 0.124 20 0 BCADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1nc[nH]n1 ZINC000561309398 384637169 /nfs/dbraw/zinc/63/71/69/384637169.db2.gz HXLLQOIDFZDCEI-BDAKNGLRSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1nnc[nH]1 ZINC000561309398 384637174 /nfs/dbraw/zinc/63/71/74/384637174.db2.gz HXLLQOIDFZDCEI-BDAKNGLRSA-N 1 2 237.307 0.322 20 0 BCADLO C[C@H]1OCC[N@H+](C[C@@H]2CCSC2)[C@@H]1C(N)=O ZINC000408039219 384648190 /nfs/dbraw/zinc/64/81/90/384648190.db2.gz TWDORNKDSLNGSU-UTLUCORTSA-N 1 2 244.360 0.314 20 0 BCADLO C[C@H]1OCC[N@@H+](C[C@@H]2CCSC2)[C@@H]1C(N)=O ZINC000408039219 384648196 /nfs/dbraw/zinc/64/81/96/384648196.db2.gz TWDORNKDSLNGSU-UTLUCORTSA-N 1 2 244.360 0.314 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCc1cnccn1 ZINC000309617352 384654465 /nfs/dbraw/zinc/65/44/65/384654465.db2.gz CECXTCDDLSZUBK-UHFFFAOYSA-N 1 2 217.276 0.840 20 0 BCADLO COC[C@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360112189 384658437 /nfs/dbraw/zinc/65/84/37/384658437.db2.gz WQVXYFSWRRPNPZ-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)NCc1c[nH+]cn1C ZINC000360111849 384660420 /nfs/dbraw/zinc/66/04/20/384660420.db2.gz VIORZNFXTYXFHW-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO C[C@H](O)CCN(C)C(=O)NCc1c[nH+]cn1C ZINC000360111850 384661337 /nfs/dbraw/zinc/66/13/37/384661337.db2.gz VIORZNFXTYXFHW-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368330578 384678180 /nfs/dbraw/zinc/67/81/80/384678180.db2.gz MHBCHVSZPPCOLX-MNOVXSKESA-N 1 2 207.277 0.436 20 0 BCADLO Cn1nccc1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368330578 384678188 /nfs/dbraw/zinc/67/81/88/384678188.db2.gz MHBCHVSZPPCOLX-MNOVXSKESA-N 1 2 207.277 0.436 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000124806024 384678387 /nfs/dbraw/zinc/67/83/87/384678387.db2.gz WQCJHKAXLRULCE-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1C ZINC000124806024 384678392 /nfs/dbraw/zinc/67/83/92/384678392.db2.gz WQCJHKAXLRULCE-SNVBAGLBSA-N 1 2 223.276 0.558 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368330580 384678542 /nfs/dbraw/zinc/67/85/42/384678542.db2.gz MHBCHVSZPPCOLX-WDEREUQCSA-N 1 2 207.277 0.436 20 0 BCADLO Cn1nccc1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368330580 384678557 /nfs/dbraw/zinc/67/85/57/384678557.db2.gz MHBCHVSZPPCOLX-WDEREUQCSA-N 1 2 207.277 0.436 20 0 BCADLO CN1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000151672325 384693149 /nfs/dbraw/zinc/69/31/49/384693149.db2.gz HHBGZZGUFKKPJP-QMMMGPOBSA-N 1 2 248.286 0.471 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000051838057 384694142 /nfs/dbraw/zinc/69/41/42/384694142.db2.gz KFLNMEPCTNEIIJ-SSDOTTSWSA-N 1 2 243.332 0.914 20 0 BCADLO CC(=O)Nc1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000051838057 384694154 /nfs/dbraw/zinc/69/41/54/384694154.db2.gz KFLNMEPCTNEIIJ-SSDOTTSWSA-N 1 2 243.332 0.914 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104595320 384699176 /nfs/dbraw/zinc/69/91/76/384699176.db2.gz PNRPDEIMSNNYKB-QWRGUYRKSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104595316 384701087 /nfs/dbraw/zinc/70/10/87/384701087.db2.gz PNRPDEIMSNNYKB-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CCn1ccnc1C[NH2+]CC(=O)NC(C)C ZINC000051921520 384704618 /nfs/dbraw/zinc/70/46/18/384704618.db2.gz WCBLARZQUSKSKK-UHFFFAOYSA-N 1 2 224.308 0.517 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCF ZINC000358147474 384711741 /nfs/dbraw/zinc/71/17/41/384711741.db2.gz WYVOIIGWKPJDMD-UHFFFAOYSA-N 1 2 200.217 0.189 20 0 BCADLO C[N@H+](Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000102673795 384722826 /nfs/dbraw/zinc/72/28/26/384722826.db2.gz KHVZPSCIXZXYAW-SECBINFHSA-N 1 2 229.301 0.899 20 0 BCADLO C[N@@H+](Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000102673795 384722829 /nfs/dbraw/zinc/72/28/29/384722829.db2.gz KHVZPSCIXZXYAW-SECBINFHSA-N 1 2 229.301 0.899 20 0 BCADLO CC[C@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000308493029 384753544 /nfs/dbraw/zinc/75/35/44/384753544.db2.gz RRUASFDNMZQNCA-QMMMGPOBSA-N 1 2 203.282 0.689 20 0 BCADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000108854784 384754334 /nfs/dbraw/zinc/75/43/34/384754334.db2.gz PIAAKLJJNASEDF-UHFFFAOYSA-N 1 2 232.287 0.864 20 0 BCADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000108854784 384754338 /nfs/dbraw/zinc/75/43/38/384754338.db2.gz PIAAKLJJNASEDF-UHFFFAOYSA-N 1 2 232.287 0.864 20 0 BCADLO C[C@](O)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000309977146 384755845 /nfs/dbraw/zinc/75/58/45/384755845.db2.gz UEHQNOXWITWWNA-LLVKDONJSA-N 1 2 223.276 0.509 20 0 BCADLO CC(C)N(C(=O)[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000644340275 384831306 /nfs/dbraw/zinc/83/13/06/384831306.db2.gz IGXDGLQIUPALIK-NSHDSACASA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C(=O)[C@@H]1COCC[N@H+]1C)C(C)C ZINC000644340275 384831309 /nfs/dbraw/zinc/83/13/09/384831309.db2.gz IGXDGLQIUPALIK-NSHDSACASA-N 1 2 228.336 0.962 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000292325795 384782182 /nfs/dbraw/zinc/78/21/82/384782182.db2.gz JADVXSZNYWLTNQ-DTWKUNHWSA-N 1 2 240.307 0.643 20 0 BCADLO C[C@@H](CC(=O)NCCCO)n1cc[nH+]c1 ZINC000518196249 384791121 /nfs/dbraw/zinc/79/11/21/384791121.db2.gz XFTIBCHFCZPIHM-VIFPVBQESA-N 1 2 211.265 0.333 20 0 BCADLO COC[C@H](C)[NH+]1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000363505986 384806331 /nfs/dbraw/zinc/80/63/31/384806331.db2.gz DIRBXNCVFVFWHV-RWMBFGLXSA-N 1 2 242.363 0.552 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000103149602 384812170 /nfs/dbraw/zinc/81/21/70/384812170.db2.gz WQBIDGOUFQHHOI-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000103149602 384812174 /nfs/dbraw/zinc/81/21/74/384812174.db2.gz WQBIDGOUFQHHOI-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO CCCc1noc(C[NH2+][C@@](C)(CC)C(N)=O)n1 ZINC000177126334 384873207 /nfs/dbraw/zinc/87/32/07/384873207.db2.gz OIEXAPKMYSQJPF-NSHDSACASA-N 1 2 240.307 0.766 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000528430803 384875634 /nfs/dbraw/zinc/87/56/34/384875634.db2.gz UXTPNSJJXWGKSY-RUIVOMMDSA-N 1 2 243.694 0.365 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000528430803 384875641 /nfs/dbraw/zinc/87/56/41/384875641.db2.gz UXTPNSJJXWGKSY-RUIVOMMDSA-N 1 2 243.694 0.365 20 0 BCADLO CC[C@](C)([NH2+]Cc1nnc(C(C)C)o1)C(N)=O ZINC000177138489 384879173 /nfs/dbraw/zinc/87/91/73/384879173.db2.gz WNOZKHVSIQRPGO-NSHDSACASA-N 1 2 240.307 0.937 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCN(C)C(=O)C2)n1 ZINC000127328112 384883550 /nfs/dbraw/zinc/88/35/50/384883550.db2.gz MHYYAMMBUVWMJV-UHFFFAOYSA-N 1 2 235.287 0.370 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCN(C)C(=O)C2)n1 ZINC000127328112 384883557 /nfs/dbraw/zinc/88/35/57/384883557.db2.gz MHYYAMMBUVWMJV-UHFFFAOYSA-N 1 2 235.287 0.370 20 0 BCADLO C[C@H]1[C@@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000336097936 384886656 /nfs/dbraw/zinc/88/66/56/384886656.db2.gz OSNVHUURTYOGKQ-VHSXEESVSA-N 1 2 223.276 0.112 20 0 BCADLO COC(=O)[C@@]1(C)CCCN1Cc1[nH+]ccn1C ZINC000186395104 384838889 /nfs/dbraw/zinc/83/88/89/384838889.db2.gz YRAMKDMNGRVQBV-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO CCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000308600497 384858690 /nfs/dbraw/zinc/85/86/90/384858690.db2.gz OECCUFYIZBXQCN-SNVBAGLBSA-N 1 2 201.266 0.708 20 0 BCADLO C[C@@](O)(C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000362775318 384863867 /nfs/dbraw/zinc/86/38/67/384863867.db2.gz RSSOHYQCFWYDLF-NSHDSACASA-N 1 2 223.276 0.577 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1csnn1 ZINC000398253257 384866029 /nfs/dbraw/zinc/86/60/29/384866029.db2.gz XTWNCYCPXXMLIF-SFYZADRCSA-N 1 2 240.332 0.857 20 0 BCADLO CC(C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152101026 384949875 /nfs/dbraw/zinc/94/98/75/384949875.db2.gz BKCJCQZWPLMXLR-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152101026 384949882 /nfs/dbraw/zinc/94/98/82/384949882.db2.gz BKCJCQZWPLMXLR-MNOVXSKESA-N 1 2 226.320 0.574 20 0 BCADLO OCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000259034394 384951143 /nfs/dbraw/zinc/95/11/43/384951143.db2.gz UDXVDJXRPJRFGZ-UHFFFAOYSA-N 1 2 208.265 0.845 20 0 BCADLO OCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000259034394 384951150 /nfs/dbraw/zinc/95/11/50/384951150.db2.gz UDXVDJXRPJRFGZ-UHFFFAOYSA-N 1 2 208.265 0.845 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)NCC(C)C)o1 ZINC000557463682 384957544 /nfs/dbraw/zinc/95/75/44/384957544.db2.gz DLTFRZWQWGPRRW-MRVPVSSYSA-N 1 2 240.307 0.801 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1cnccn1 ZINC000175779942 384957661 /nfs/dbraw/zinc/95/76/61/384957661.db2.gz ARGZSUIARHSTBH-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cnccn1 ZINC000175779942 384957666 /nfs/dbraw/zinc/95/76/66/384957666.db2.gz ARGZSUIARHSTBH-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000186968144 384900369 /nfs/dbraw/zinc/90/03/69/384900369.db2.gz YXIUHMYOLKWAAG-UHFFFAOYSA-N 1 2 234.307 0.412 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000186968144 384900377 /nfs/dbraw/zinc/90/03/77/384900377.db2.gz YXIUHMYOLKWAAG-UHFFFAOYSA-N 1 2 234.307 0.412 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000360185333 384901753 /nfs/dbraw/zinc/90/17/53/384901753.db2.gz YFVAFQWHIDLFBZ-RKDXNWHRSA-N 1 2 225.292 0.945 20 0 BCADLO CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000370805382 384906895 /nfs/dbraw/zinc/90/68/95/384906895.db2.gz BWOCSKSFICBAQH-LLVKDONJSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1csnn1 ZINC000127686518 384909948 /nfs/dbraw/zinc/90/99/48/384909948.db2.gz DRFOBVNVTXBDFW-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1csnn1 ZINC000127686518 384909954 /nfs/dbraw/zinc/90/99/54/384909954.db2.gz DRFOBVNVTXBDFW-ZETCQYMHSA-N 1 2 201.295 0.741 20 0 BCADLO Cc1cc[nH+]c(NCc2n[nH]c(=O)[nH]2)c1 ZINC000301797481 384921107 /nfs/dbraw/zinc/92/11/07/384921107.db2.gz UUXNYRQDCUPLLL-UHFFFAOYSA-N 1 2 205.221 0.414 20 0 BCADLO OC[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000258731739 384941457 /nfs/dbraw/zinc/94/14/57/384941457.db2.gz MXDXFVZGBNDCIL-VIFPVBQESA-N 1 2 234.303 0.870 20 0 BCADLO OC[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000258731739 384941465 /nfs/dbraw/zinc/94/14/65/384941465.db2.gz MXDXFVZGBNDCIL-VIFPVBQESA-N 1 2 234.303 0.870 20 0 BCADLO Cn1cncc1C[N@H+](C)CCN1CCCC1=O ZINC000530725026 385021580 /nfs/dbraw/zinc/02/15/80/385021580.db2.gz CXSZQNPKBSPHQC-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1cncc1C[N@@H+](C)CCN1CCCC1=O ZINC000530725026 385021584 /nfs/dbraw/zinc/02/15/84/385021584.db2.gz CXSZQNPKBSPHQC-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CN(CCN1CCCC1=O)Cc1c[nH+]cn1C ZINC000530725026 385021593 /nfs/dbraw/zinc/02/15/93/385021593.db2.gz CXSZQNPKBSPHQC-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO COC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364094550 384975706 /nfs/dbraw/zinc/97/57/06/384975706.db2.gz MIBFZSPDKWXGEY-UHFFFAOYSA-N 1 2 223.276 0.762 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCCS(C)(=O)=O ZINC000115575150 384992200 /nfs/dbraw/zinc/99/22/00/384992200.db2.gz PISBKWYCQOSQNU-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCCS(C)(=O)=O ZINC000115575150 384992208 /nfs/dbraw/zinc/99/22/08/384992208.db2.gz PISBKWYCQOSQNU-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361588295 384996191 /nfs/dbraw/zinc/99/61/91/384996191.db2.gz LZUGFPAJBBHKEC-SNVBAGLBSA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361588295 384996196 /nfs/dbraw/zinc/99/61/96/384996196.db2.gz LZUGFPAJBBHKEC-SNVBAGLBSA-N 1 2 232.291 0.459 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000130149027 385022484 /nfs/dbraw/zinc/02/24/84/385022484.db2.gz INFWNXJSYHMBNY-AYVTZFPOSA-N 1 2 229.349 0.965 20 0 BCADLO Cn1cc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000557515456 384997238 /nfs/dbraw/zinc/99/72/38/384997238.db2.gz ZBURCWFOYVAJRK-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000310344857 384998450 /nfs/dbraw/zinc/99/84/50/384998450.db2.gz FTMXCYXDDJFQTM-GFCCVEGCSA-N 1 2 237.303 0.647 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cn(C)nc1C ZINC000188062557 385010562 /nfs/dbraw/zinc/01/05/62/385010562.db2.gz WPWODWRRJNXREO-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cn(C)nc1C ZINC000188062557 385010565 /nfs/dbraw/zinc/01/05/65/385010565.db2.gz WPWODWRRJNXREO-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CC(C)(O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000188143808 385017305 /nfs/dbraw/zinc/01/73/05/385017305.db2.gz ZFBPPALTTJJWHN-UHFFFAOYSA-N 1 2 246.270 0.977 20 0 BCADLO Nc1[nH+]cnc(N2C[C@@H]3COC[C@@H]3C2)c1Cl ZINC000368676068 384963035 /nfs/dbraw/zinc/96/30/35/384963035.db2.gz RCWRJMCKWKRXIX-KNVOCYPGSA-N 1 2 240.694 0.795 20 0 BCADLO Nc1nc[nH+]c(N2C[C@@H]3COC[C@@H]3C2)c1Cl ZINC000368676068 384963043 /nfs/dbraw/zinc/96/30/43/384963043.db2.gz RCWRJMCKWKRXIX-KNVOCYPGSA-N 1 2 240.694 0.795 20 0 BCADLO COC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000309891114 385048145 /nfs/dbraw/zinc/04/81/45/385048145.db2.gz CMXCMTCXZMZYIP-MRVPVSSYSA-N 1 2 229.280 0.210 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000188395846 385049171 /nfs/dbraw/zinc/04/91/71/385049171.db2.gz RVPNPFPOUGQDIE-GXSJLCMTSA-N 1 2 225.292 0.645 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@H](C)O)c1 ZINC000518396506 385058352 /nfs/dbraw/zinc/05/83/52/385058352.db2.gz HBUYEXLOZHQJEU-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@H](C)O)c1 ZINC000518396506 385058357 /nfs/dbraw/zinc/05/83/57/385058357.db2.gz HBUYEXLOZHQJEU-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO CC(C)(O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000087030433 385066605 /nfs/dbraw/zinc/06/66/05/385066605.db2.gz CZDDEYKRHRVAFZ-UHFFFAOYSA-N 1 2 247.298 0.764 20 0 BCADLO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccn[nH]1 ZINC000131308738 385081473 /nfs/dbraw/zinc/08/14/73/385081473.db2.gz HWUGWKQSHWVBGU-XLKFXECMSA-N 1 2 215.322 0.656 20 0 BCADLO Cc1cc(NCC(=O)N2CCCC2)nc[nH+]1 ZINC000157139201 385082085 /nfs/dbraw/zinc/08/20/85/385082085.db2.gz KYDWTOCWEDEUPY-UHFFFAOYSA-N 1 2 220.276 0.819 20 0 BCADLO c1c[nH+]c(CN2CCO[C@H]([C@@H]3CCCO3)C2)[nH]1 ZINC000152236820 385023994 /nfs/dbraw/zinc/02/39/94/385023994.db2.gz UJLOUXYVFLVMFC-QWRGUYRKSA-N 1 2 237.303 0.790 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](C)CC(=O)N(C)C ZINC000130136239 385024150 /nfs/dbraw/zinc/02/41/50/385024150.db2.gz SWMZMZQIJYMTTD-MRVPVSSYSA-N 1 2 224.308 0.675 20 0 BCADLO CCCc1noc(C[N@H+](CCO)C[C@H](C)O)n1 ZINC000310396430 385032835 /nfs/dbraw/zinc/03/28/35/385032835.db2.gz FQGZBAMTKRWXNK-VIFPVBQESA-N 1 2 243.307 0.197 20 0 BCADLO CCCc1noc(C[N@@H+](CCO)C[C@H](C)O)n1 ZINC000310396430 385032843 /nfs/dbraw/zinc/03/28/43/385032843.db2.gz FQGZBAMTKRWXNK-VIFPVBQESA-N 1 2 243.307 0.197 20 0 BCADLO CC[C@@H](C)C[NH2+][C@H](COC)C(=O)OC ZINC000308727249 385039438 /nfs/dbraw/zinc/03/94/38/385039438.db2.gz HEZQUKACSRDKKH-RKDXNWHRSA-N 1 2 203.282 0.810 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)CC1(CO)CC1 ZINC000188961460 385108229 /nfs/dbraw/zinc/10/82/29/385108229.db2.gz ARBIJGFWFOYQGG-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)CC1(CO)CC1 ZINC000188961460 385108236 /nfs/dbraw/zinc/10/82/36/385108236.db2.gz ARBIJGFWFOYQGG-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1noc(CCC(=O)Nc2ccc(N)[nH+]c2)n1 ZINC000151627717 385119557 /nfs/dbraw/zinc/11/95/57/385119557.db2.gz OXZPDGGCLILPIX-UHFFFAOYSA-N 1 2 247.258 0.927 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000233382248 259662011 /nfs/dbraw/zinc/66/20/11/259662011.db2.gz DGDMVDMFVNNFJE-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000233382248 259662013 /nfs/dbraw/zinc/66/20/13/259662013.db2.gz DGDMVDMFVNNFJE-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061709158 385133856 /nfs/dbraw/zinc/13/38/56/385133856.db2.gz WSUOKEUBBGSDLL-MRVPVSSYSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1CC[C@@H](O)C1 ZINC000061709158 385133867 /nfs/dbraw/zinc/13/38/67/385133867.db2.gz WSUOKEUBBGSDLL-MRVPVSSYSA-N 1 2 225.244 0.633 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000131405528 385085350 /nfs/dbraw/zinc/08/53/50/385085350.db2.gz PSMVVAJXDQIIDA-MRVPVSSYSA-N 1 2 225.317 0.822 20 0 BCADLO COC(=O)c1ccc([C@@H](C)[N@H+](C)CC(N)=O)o1 ZINC000108806152 385086607 /nfs/dbraw/zinc/08/66/07/385086607.db2.gz CJAZJTHHLIBZFS-SSDOTTSWSA-N 1 2 240.259 0.544 20 0 BCADLO COC(=O)c1ccc([C@@H](C)[N@@H+](C)CC(N)=O)o1 ZINC000108806152 385086612 /nfs/dbraw/zinc/08/66/12/385086612.db2.gz CJAZJTHHLIBZFS-SSDOTTSWSA-N 1 2 240.259 0.544 20 0 BCADLO COCC1([N@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC000644680053 385092301 /nfs/dbraw/zinc/09/23/01/385092301.db2.gz SDQIRLRRKBLFRH-UHFFFAOYSA-N 1 2 210.281 0.724 20 0 BCADLO COCC1([N@@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC000644680053 385092306 /nfs/dbraw/zinc/09/23/06/385092306.db2.gz SDQIRLRRKBLFRH-UHFFFAOYSA-N 1 2 210.281 0.724 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@](C)(O)C2)nnc1C1CC1 ZINC000407948954 385096921 /nfs/dbraw/zinc/09/69/21/385096921.db2.gz BOJUPSRPBVALGS-LBPRGKRZSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CC[C@](C)(O)C2)nnc1C1CC1 ZINC000407948954 385096924 /nfs/dbraw/zinc/09/69/24/385096924.db2.gz BOJUPSRPBVALGS-LBPRGKRZSA-N 1 2 236.319 0.649 20 0 BCADLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)co1 ZINC000188837000 385097055 /nfs/dbraw/zinc/09/70/55/385097055.db2.gz FZDLFOQFCUEYIS-GFCCVEGCSA-N 1 2 249.314 0.318 20 0 BCADLO CC[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000308785831 385101089 /nfs/dbraw/zinc/10/10/89/385101089.db2.gz BCGSEERXQDKWJW-SECBINFHSA-N 1 2 211.269 0.335 20 0 BCADLO CC[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000308785831 385101095 /nfs/dbraw/zinc/10/10/95/385101095.db2.gz BCGSEERXQDKWJW-SECBINFHSA-N 1 2 211.269 0.335 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000341021595 385101185 /nfs/dbraw/zinc/10/11/85/385101185.db2.gz XRRJBGFWKDYHJA-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000341021595 385101195 /nfs/dbraw/zinc/10/11/95/385101195.db2.gz XRRJBGFWKDYHJA-WCBMZHEXSA-N 1 2 237.307 0.211 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)no1 ZINC000407950039 385103782 /nfs/dbraw/zinc/10/37/82/385103782.db2.gz ZXXKRZNYWKUNOB-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)no1 ZINC000407950039 385103785 /nfs/dbraw/zinc/10/37/85/385103785.db2.gz ZXXKRZNYWKUNOB-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)no1 ZINC000407950047 385104390 /nfs/dbraw/zinc/10/43/90/385104390.db2.gz ZXXKRZNYWKUNOB-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)no1 ZINC000407950047 385104394 /nfs/dbraw/zinc/10/43/94/385104394.db2.gz ZXXKRZNYWKUNOB-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCSC[C@H]1CCO ZINC000407950064 385105386 /nfs/dbraw/zinc/10/53/86/385105386.db2.gz ZKIOROLWGGMJHN-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO Cn1ncnc1C[N@H+]1CCSC[C@H]1CCO ZINC000407950064 385105392 /nfs/dbraw/zinc/10/53/92/385105392.db2.gz ZKIOROLWGGMJHN-SECBINFHSA-N 1 2 242.348 0.115 20 0 BCADLO Cc1ccc(NC(=O)C(=O)NC2CC2)c(C)[nH+]1 ZINC000176512768 385105462 /nfs/dbraw/zinc/10/54/62/385105462.db2.gz KFAYMYITKWGDIG-UHFFFAOYSA-N 1 2 233.271 0.916 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048483 385185500 /nfs/dbraw/zinc/18/55/00/385185500.db2.gz YGSRTAQIHHFARL-ZNSHCXBVSA-N 1 2 242.319 0.129 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048483 385185504 /nfs/dbraw/zinc/18/55/04/385185504.db2.gz YGSRTAQIHHFARL-ZNSHCXBVSA-N 1 2 242.319 0.129 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000109826985 385193236 /nfs/dbraw/zinc/19/32/36/385193236.db2.gz YXJQRFBYNWFZNS-UHFFFAOYSA-N 1 2 224.308 0.710 20 0 BCADLO Cc1cncc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000189918337 385195244 /nfs/dbraw/zinc/19/52/44/385195244.db2.gz TXGXDVKEBRKXLJ-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cncc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000189918337 385195251 /nfs/dbraw/zinc/19/52/51/385195251.db2.gz TXGXDVKEBRKXLJ-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000305082922 385195564 /nfs/dbraw/zinc/19/55/64/385195564.db2.gz MZKMNIJSSUKJCS-MRVPVSSYSA-N 1 2 208.265 0.016 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000305082922 385195567 /nfs/dbraw/zinc/19/55/67/385195567.db2.gz MZKMNIJSSUKJCS-MRVPVSSYSA-N 1 2 208.265 0.016 20 0 BCADLO C[C@@H](O)CN1CC[NH+](CCOCC2CC2)CC1 ZINC000189340907 385147593 /nfs/dbraw/zinc/14/75/93/385147593.db2.gz WVATUZRYNQNGTH-GFCCVEGCSA-N 1 2 242.363 0.411 20 0 BCADLO CO[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000189382801 385150196 /nfs/dbraw/zinc/15/01/96/385150196.db2.gz YTFIWSVBODLYLU-VIFPVBQESA-N 1 2 226.280 0.217 20 0 BCADLO C[C@@H](O)CN1CC[NH+](CCc2ccncc2)CC1 ZINC000189387448 385151168 /nfs/dbraw/zinc/15/11/68/385151168.db2.gz CTAJROBMQGOWCH-CYBMUJFWSA-N 1 2 249.358 0.623 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000189427777 385154493 /nfs/dbraw/zinc/15/44/93/385154493.db2.gz QIFBESDHADSITA-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000189427777 385154500 /nfs/dbraw/zinc/15/45/00/385154500.db2.gz QIFBESDHADSITA-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000524065288 259662653 /nfs/dbraw/zinc/66/26/53/259662653.db2.gz OZWYLAGFJWPHNN-UHFFFAOYSA-N 1 2 242.323 0.992 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000524065288 259662655 /nfs/dbraw/zinc/66/26/55/259662655.db2.gz OZWYLAGFJWPHNN-UHFFFAOYSA-N 1 2 242.323 0.992 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000178009703 385172159 /nfs/dbraw/zinc/17/21/59/385172159.db2.gz HKJFTDQSIKZWQP-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000178009703 385172163 /nfs/dbraw/zinc/17/21/63/385172163.db2.gz HKJFTDQSIKZWQP-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000152347707 385176995 /nfs/dbraw/zinc/17/69/95/385176995.db2.gz KHOAPZHNUISNOW-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000152347707 385177001 /nfs/dbraw/zinc/17/70/01/385177001.db2.gz KHOAPZHNUISNOW-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000189711340 385179227 /nfs/dbraw/zinc/17/92/27/385179227.db2.gz GISCVMDEHOXBMJ-JTQLQIEISA-N 1 2 238.287 0.418 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOc2ccccc2C1 ZINC000058003149 385222893 /nfs/dbraw/zinc/22/28/93/385222893.db2.gz ZYNKPUVBYUFDPO-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOc2ccccc2C1 ZINC000058003149 385222898 /nfs/dbraw/zinc/22/28/98/385222898.db2.gz ZYNKPUVBYUFDPO-SECBINFHSA-N 1 2 220.272 0.755 20 0 BCADLO CC(C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000152912024 385224301 /nfs/dbraw/zinc/22/43/01/385224301.db2.gz FWUNSJLGJIYZOM-UHFFFAOYSA-N 1 2 210.281 0.933 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000308851618 385225757 /nfs/dbraw/zinc/22/57/57/385225757.db2.gz RJSJQUYSEYTGMY-MRVPVSSYSA-N 1 2 208.265 0.280 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000308851618 385225759 /nfs/dbraw/zinc/22/57/59/385225759.db2.gz RJSJQUYSEYTGMY-MRVPVSSYSA-N 1 2 208.265 0.280 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@H]2CCOC2)no1 ZINC000178365494 385235105 /nfs/dbraw/zinc/23/51/05/385235105.db2.gz YVCZCKGOMUODJV-SECBINFHSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000178365494 385235114 /nfs/dbraw/zinc/23/51/14/385235114.db2.gz YVCZCKGOMUODJV-SECBINFHSA-N 1 2 211.265 0.846 20 0 BCADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCO ZINC000153131463 385237295 /nfs/dbraw/zinc/23/72/95/385237295.db2.gz GBEFPDBSHUKBDD-NSHDSACASA-N 1 2 241.262 0.964 20 0 BCADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCO ZINC000153131463 385237301 /nfs/dbraw/zinc/23/73/01/385237301.db2.gz GBEFPDBSHUKBDD-NSHDSACASA-N 1 2 241.262 0.964 20 0 BCADLO CCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177421978 385238511 /nfs/dbraw/zinc/23/85/11/385238511.db2.gz DSFBOAOMXXRYTJ-UHFFFAOYSA-N 1 2 236.319 0.869 20 0 BCADLO CCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177421978 385238519 /nfs/dbraw/zinc/23/85/19/385238519.db2.gz DSFBOAOMXXRYTJ-UHFFFAOYSA-N 1 2 236.319 0.869 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)no1 ZINC000331465375 385248253 /nfs/dbraw/zinc/24/82/53/385248253.db2.gz JVFRNBUETINYHE-GARJFASQSA-N 1 2 237.303 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)no1 ZINC000331465375 385248262 /nfs/dbraw/zinc/24/82/62/385248262.db2.gz JVFRNBUETINYHE-GARJFASQSA-N 1 2 237.303 0.971 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]CC(F)(F)CO ZINC000308885303 385251166 /nfs/dbraw/zinc/25/11/66/385251166.db2.gz VOPPVIQQIFBNPK-QMMMGPOBSA-N 1 2 219.235 0.489 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336396790 385252193 /nfs/dbraw/zinc/25/21/93/385252193.db2.gz OQPSOUVOMPDPFU-SFYZADRCSA-N 1 2 242.348 0.434 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336396790 385252203 /nfs/dbraw/zinc/25/22/03/385252203.db2.gz OQPSOUVOMPDPFU-SFYZADRCSA-N 1 2 242.348 0.434 20 0 BCADLO Cn1cccc1CNC(=O)NCc1c[nH+]cn1C ZINC000290791903 385252124 /nfs/dbraw/zinc/25/21/24/385252124.db2.gz TUFZUZPWYDRHCJ-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000152701062 385203664 /nfs/dbraw/zinc/20/36/64/385203664.db2.gz OLZFWADOCQEYPC-JTQLQIEISA-N 1 2 240.307 0.199 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1cccnc1 ZINC000129963114 385203629 /nfs/dbraw/zinc/20/36/29/385203629.db2.gz IZIDCFLGWGNQKC-MRVPVSSYSA-N 1 2 236.275 0.097 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cccnc1 ZINC000129963114 385203637 /nfs/dbraw/zinc/20/36/37/385203637.db2.gz IZIDCFLGWGNQKC-MRVPVSSYSA-N 1 2 236.275 0.097 20 0 BCADLO COC(CN1CCn2cc(C)[nH+]c2C1)OC ZINC000364275475 385312519 /nfs/dbraw/zinc/31/25/19/385312519.db2.gz YTNSSIVIXGLFPK-UHFFFAOYSA-N 1 2 225.292 0.626 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccon1 ZINC000408056751 385321699 /nfs/dbraw/zinc/32/16/99/385321699.db2.gz LAICCKLUBMORSS-WPRPVWTQSA-N 1 2 239.275 0.182 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccon1 ZINC000408056751 385321704 /nfs/dbraw/zinc/32/17/04/385321704.db2.gz LAICCKLUBMORSS-WPRPVWTQSA-N 1 2 239.275 0.182 20 0 BCADLO COC1(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000648337859 385265402 /nfs/dbraw/zinc/26/54/02/385265402.db2.gz SGIJQUGWQNPONC-JTQLQIEISA-N 1 2 249.314 0.915 20 0 BCADLO CCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177728837 385277207 /nfs/dbraw/zinc/27/72/07/385277207.db2.gz IMEITJFQLBLQPJ-UHFFFAOYSA-N 1 2 239.300 0.774 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000364232355 385279127 /nfs/dbraw/zinc/27/91/27/385279127.db2.gz YPHLWQHVOLDXTH-GHMZBOCLSA-N 1 2 236.319 0.959 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000364232355 385279130 /nfs/dbraw/zinc/27/91/30/385279130.db2.gz YPHLWQHVOLDXTH-GHMZBOCLSA-N 1 2 236.319 0.959 20 0 BCADLO COC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000280358562 385295675 /nfs/dbraw/zinc/29/56/75/385295675.db2.gz XHWRHJOJKICFCV-SECBINFHSA-N 1 2 223.276 0.773 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccsc1 ZINC000180270320 385388713 /nfs/dbraw/zinc/38/87/13/385388713.db2.gz PYTKEDVWDHMHGL-NXEZZACHSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccsc1 ZINC000180270320 385388716 /nfs/dbraw/zinc/38/87/16/385388716.db2.gz PYTKEDVWDHMHGL-NXEZZACHSA-N 1 2 241.312 0.856 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000308987622 385334260 /nfs/dbraw/zinc/33/42/60/385334260.db2.gz MNLXXBJLZMQQPG-APPZFPTMSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000308987622 385334265 /nfs/dbraw/zinc/33/42/65/385334265.db2.gz MNLXXBJLZMQQPG-APPZFPTMSA-N 1 2 210.281 0.316 20 0 BCADLO C[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)[C@H](C)[NH3+] ZINC000191998500 385339050 /nfs/dbraw/zinc/33/90/50/385339050.db2.gz FAQQBKHUPALDGZ-RQJHMYQMSA-N 1 2 233.275 0.880 20 0 BCADLO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000191998495 385339230 /nfs/dbraw/zinc/33/92/30/385339230.db2.gz FAQQBKHUPALDGZ-BQBZGAKWSA-N 1 2 233.275 0.880 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368667440 385389144 /nfs/dbraw/zinc/38/91/44/385389144.db2.gz RPMYIPZXRJOXIX-UMNHJUIQSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368667440 385389146 /nfs/dbraw/zinc/38/91/46/385389146.db2.gz RPMYIPZXRJOXIX-UMNHJUIQSA-N 1 2 248.330 0.804 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408457271 385346274 /nfs/dbraw/zinc/34/62/74/385346274.db2.gz OEXNCEVZXVNKNL-DTWKUNHWSA-N 1 2 241.291 0.990 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408457271 385346277 /nfs/dbraw/zinc/34/62/77/385346277.db2.gz OEXNCEVZXVNKNL-DTWKUNHWSA-N 1 2 241.291 0.990 20 0 BCADLO Nc1[nH+]cnc(NC[C@@]2(O)CCOC2)c1Cl ZINC000192346983 385353757 /nfs/dbraw/zinc/35/37/57/385353757.db2.gz HDNIPYDGRPDCDI-VIFPVBQESA-N 1 2 244.682 0.276 20 0 BCADLO Nc1nc[nH+]c(NC[C@@]2(O)CCOC2)c1Cl ZINC000192346983 385353761 /nfs/dbraw/zinc/35/37/61/385353761.db2.gz HDNIPYDGRPDCDI-VIFPVBQESA-N 1 2 244.682 0.276 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](O)C1 ZINC000408059419 385389920 /nfs/dbraw/zinc/38/99/20/385389920.db2.gz GTYWOINNOJKAGU-VIFPVBQESA-N 1 2 238.291 0.086 20 0 BCADLO CC[C@H](COC)NC(=O)NCCn1cc[nH+]c1 ZINC000154882793 385362046 /nfs/dbraw/zinc/36/20/46/385362046.db2.gz BSBTXNHSGKKNIQ-SNVBAGLBSA-N 1 2 240.307 0.607 20 0 BCADLO Cc1cnoc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000364335747 385364686 /nfs/dbraw/zinc/36/46/86/385364686.db2.gz ARVBIVLCFHGSSC-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(/C=C\c1cncc(O)c1)NCc1[nH]cc[nH+]1 ZINC000492365775 385364931 /nfs/dbraw/zinc/36/49/31/385364931.db2.gz RGFZHKDXSGCCSP-UPHRSURJSA-N 1 2 244.254 0.840 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000335961983 385365794 /nfs/dbraw/zinc/36/57/94/385365794.db2.gz SKPLEIBFWIPFET-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000335961983 385365797 /nfs/dbraw/zinc/36/57/97/385365797.db2.gz SKPLEIBFWIPFET-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO O=C(N[C@@H](CO)C1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636158779 385375745 /nfs/dbraw/zinc/37/57/45/385375745.db2.gz VATBWLWOLATIKA-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@@H](CO)C1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636158779 385375746 /nfs/dbraw/zinc/37/57/46/385375746.db2.gz VATBWLWOLATIKA-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO Cn1nnc(C[N@H+](C)CC2CCOCC2)n1 ZINC000193002117 385380878 /nfs/dbraw/zinc/38/08/78/385380878.db2.gz KHOIGQYSXFUURS-UHFFFAOYSA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnc(C[N@@H+](C)CC2CCOCC2)n1 ZINC000193002117 385380881 /nfs/dbraw/zinc/38/08/81/385380881.db2.gz KHOIGQYSXFUURS-UHFFFAOYSA-N 1 2 225.296 0.069 20 0 BCADLO C[C@@H](O)CSc1[nH+]cnc2c1cnn2C ZINC000193081581 385383479 /nfs/dbraw/zinc/38/34/79/385383479.db2.gz ASNHPUFNUPHNPA-ZCFIWIBFSA-N 1 2 224.289 0.836 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000180222013 385387716 /nfs/dbraw/zinc/38/77/16/385387716.db2.gz FZVZKJLYEKQHPV-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000180222013 385387719 /nfs/dbraw/zinc/38/77/19/385387719.db2.gz FZVZKJLYEKQHPV-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO C[C@@H](N1CC[NH+](CCO)CC1)C(F)(F)F ZINC000178742470 385324999 /nfs/dbraw/zinc/32/49/99/385324999.db2.gz YMTZZIWBEBKKEC-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)NC1CC1 ZINC000157966792 385325434 /nfs/dbraw/zinc/32/54/34/385325434.db2.gz HCPUCGCBZZUKPN-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[N@H+]1CCOC2(CCCC2)C1)NC1CC1 ZINC000157966792 385325436 /nfs/dbraw/zinc/32/54/36/385325436.db2.gz HCPUCGCBZZUKPN-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[NH+]1Cc2ccccc2C1)N1CCNC1=O ZINC000155489938 385392494 /nfs/dbraw/zinc/39/24/94/385392494.db2.gz WAHBCDMEKNQTOC-UHFFFAOYSA-N 1 2 245.282 0.554 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000309069670 385394040 /nfs/dbraw/zinc/39/40/40/385394040.db2.gz AXYWESODKJHYFB-KCJUWKMLSA-N 1 2 215.293 0.953 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCO)[C@H](C)CC ZINC000181633192 385411731 /nfs/dbraw/zinc/41/17/31/385411731.db2.gz QXNBRXHPMJAPOO-RKDXNWHRSA-N 1 2 203.282 0.546 20 0 BCADLO C[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178922201 385426085 /nfs/dbraw/zinc/42/60/85/385426085.db2.gz GLBLVVJHLBQMCV-QMMMGPOBSA-N 1 2 219.244 0.445 20 0 BCADLO C[NH+](C)CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000364398530 385414827 /nfs/dbraw/zinc/41/48/27/385414827.db2.gz DMYUJBZXJRRLTE-VIFPVBQESA-N 1 2 237.307 0.420 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@H]1CO ZINC000492662650 385415586 /nfs/dbraw/zinc/41/55/86/385415586.db2.gz LUKZMYPOPSOXKR-QRGHLMKCSA-N 1 2 249.314 0.900 20 0 BCADLO CC(C)n1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)nn1 ZINC000289777052 385421653 /nfs/dbraw/zinc/42/16/53/385421653.db2.gz PTAHDEFJNNKPJC-SECBINFHSA-N 1 2 237.307 0.179 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029247 385439258 /nfs/dbraw/zinc/43/92/58/385439258.db2.gz HHWNTZBPKVDNPA-UWVGGRQHSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC(C)(C)O1 ZINC000408029247 385439264 /nfs/dbraw/zinc/43/92/64/385439264.db2.gz HHWNTZBPKVDNPA-UWVGGRQHSA-N 1 2 242.319 0.001 20 0 BCADLO C[N@@H+]1CC[C@@H](CSc2n[nH]c(=O)[nH]2)C1 ZINC000194629057 385443201 /nfs/dbraw/zinc/44/32/01/385443201.db2.gz KHJZNDFAYBFHHB-ZCFIWIBFSA-N 1 2 214.294 0.554 20 0 BCADLO C[N@H+]1CC[C@@H](CSc2n[nH]c(=O)[nH]2)C1 ZINC000194629057 385443204 /nfs/dbraw/zinc/44/32/04/385443204.db2.gz KHJZNDFAYBFHHB-ZCFIWIBFSA-N 1 2 214.294 0.554 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000182400411 385444168 /nfs/dbraw/zinc/44/41/68/385444168.db2.gz VKYBFPPORJFZAL-JTQLQIEISA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000182400411 385444172 /nfs/dbraw/zinc/44/41/72/385444172.db2.gz VKYBFPPORJFZAL-JTQLQIEISA-N 1 2 227.264 0.173 20 0 BCADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336767811 385457977 /nfs/dbraw/zinc/45/79/77/385457977.db2.gz SRZSFXJTSISISG-XHNCKOQMSA-N 1 2 212.297 0.889 20 0 BCADLO Cc1nnc(NCC[NH+]2CCOCC2)o1 ZINC000309170119 385448203 /nfs/dbraw/zinc/44/82/03/385448203.db2.gz KZMUBSUBOBMKQT-UHFFFAOYSA-N 1 2 212.253 0.122 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC1=O ZINC000492860036 385450918 /nfs/dbraw/zinc/45/09/18/385450918.db2.gz HOSSIKXWDFJPSZ-XNPJLODASA-N 1 2 233.271 0.908 20 0 BCADLO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360821689 385427230 /nfs/dbraw/zinc/42/72/30/385427230.db2.gz ZQFHQXGAAHKGJB-XHNCKOQMSA-N 1 2 248.273 0.261 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](C)OC ZINC000182123971 385431356 /nfs/dbraw/zinc/43/13/56/385431356.db2.gz WVAHEBDJCKQOAY-QMMMGPOBSA-N 1 2 203.282 0.953 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364424551 385433316 /nfs/dbraw/zinc/43/33/16/385433316.db2.gz WNPNDHCVNKLGMS-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO CC(C)[N@H+](Cc1nnn(C)n1)C1CCOCC1 ZINC000194438054 385434991 /nfs/dbraw/zinc/43/49/91/385434991.db2.gz UVPWYTBUZIOVKC-UHFFFAOYSA-N 1 2 239.323 0.600 20 0 BCADLO CC(C)[N@@H+](Cc1nnn(C)n1)C1CCOCC1 ZINC000194438054 385434994 /nfs/dbraw/zinc/43/49/94/385434994.db2.gz UVPWYTBUZIOVKC-UHFFFAOYSA-N 1 2 239.323 0.600 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000408061696 385435182 /nfs/dbraw/zinc/43/51/82/385435182.db2.gz LUQKFGDMDHSUSI-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000408061696 385435185 /nfs/dbraw/zinc/43/51/85/385435185.db2.gz LUQKFGDMDHSUSI-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)N1CCCC1 ZINC000157115626 385488334 /nfs/dbraw/zinc/48/83/34/385488334.db2.gz LVJWJUKGBMAOMN-VIFPVBQESA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000179707948 385485590 /nfs/dbraw/zinc/48/55/90/385485590.db2.gz ZOSXOMOUFJPRBU-LBPRGKRZSA-N 1 2 238.287 0.617 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000179707948 385485596 /nfs/dbraw/zinc/48/55/96/385485596.db2.gz ZOSXOMOUFJPRBU-LBPRGKRZSA-N 1 2 238.287 0.617 20 0 BCADLO COCC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000171001930 385461931 /nfs/dbraw/zinc/46/19/31/385461931.db2.gz KTJDMKZSFXYEMG-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO CC(C)[C@@H]([NH2+]CC(N)=O)c1nc(C2CC2)no1 ZINC000179803538 385491779 /nfs/dbraw/zinc/49/17/79/385491779.db2.gz SKXDAXDGWKZOFW-SECBINFHSA-N 1 2 238.291 0.719 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401649620 385492473 /nfs/dbraw/zinc/49/24/73/385492473.db2.gz OJLKSXTUTMKRSK-LLVKDONJSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401649620 385492475 /nfs/dbraw/zinc/49/24/75/385492475.db2.gz OJLKSXTUTMKRSK-LLVKDONJSA-N 1 2 231.292 0.023 20 0 BCADLO CC(C)[C@H]([NH2+]CC(N)=O)c1nc(C2CC2)no1 ZINC000179803525 385492867 /nfs/dbraw/zinc/49/28/67/385492867.db2.gz SKXDAXDGWKZOFW-VIFPVBQESA-N 1 2 238.291 0.719 20 0 BCADLO CN(CCCO)C(=O)CCn1cc[nH+]c1 ZINC000282086364 385500411 /nfs/dbraw/zinc/50/04/11/385500411.db2.gz ZTUNJULPHDIGEG-UHFFFAOYSA-N 1 2 211.265 0.114 20 0 BCADLO CC[C@@H](C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000180022492 385503489 /nfs/dbraw/zinc/50/34/89/385503489.db2.gz RMMZODUBRVPVCP-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H](O)CN1CC[NH+](CCOC)CC1 ZINC000106382491 385506516 /nfs/dbraw/zinc/50/65/16/385506516.db2.gz MJWALIBQFGZPDG-NSHDSACASA-N 1 2 216.325 0.021 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)C[C@@H]1C ZINC000336594176 385508544 /nfs/dbraw/zinc/50/85/44/385508544.db2.gz MDLZDKFQSKZVDW-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)C[C@@H]1C ZINC000336594176 385508547 /nfs/dbraw/zinc/50/85/47/385508547.db2.gz MDLZDKFQSKZVDW-JTQLQIEISA-N 1 2 213.325 0.101 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCn1cncn1 ZINC000408063168 385515833 /nfs/dbraw/zinc/51/58/33/385515833.db2.gz PWGAHBRUAGMFDA-INIZCTEOSA-N 1 2 242.348 0.121 20 0 BCADLO CC1(C)C[S@@](=O)CC[N@H+]1CCn1cncn1 ZINC000408063168 385515838 /nfs/dbraw/zinc/51/58/38/385515838.db2.gz PWGAHBRUAGMFDA-INIZCTEOSA-N 1 2 242.348 0.121 20 0 BCADLO Cc1nc(N2CCO[C@@H]3C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000644135439 385516769 /nfs/dbraw/zinc/51/67/69/385516769.db2.gz GBQZZWBHDHBFMU-DTWKUNHWSA-N 1 2 235.291 0.224 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000644135439 385516771 /nfs/dbraw/zinc/51/67/71/385516771.db2.gz GBQZZWBHDHBFMU-DTWKUNHWSA-N 1 2 235.291 0.224 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)c1nc(C)no1)C(N)=O ZINC000309235277 385490091 /nfs/dbraw/zinc/49/00/91/385490091.db2.gz XJYKTZARRMBQHO-FSPLSTOPSA-N 1 2 212.253 0.293 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000309325966 385530949 /nfs/dbraw/zinc/53/09/49/385530949.db2.gz IBKCHZRFWWHAET-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO COC(=O)CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000309325966 385530954 /nfs/dbraw/zinc/53/09/54/385530954.db2.gz IBKCHZRFWWHAET-SECBINFHSA-N 1 2 249.332 0.059 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493143855 385534541 /nfs/dbraw/zinc/53/45/41/385534541.db2.gz AEIIDXGMIHILSW-ZJELKQJVSA-N 1 2 223.276 0.699 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000334346125 385539205 /nfs/dbraw/zinc/53/92/05/385539205.db2.gz PUJSLWBCCMXQSK-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@H+]1C)C(C)C ZINC000334346125 385539210 /nfs/dbraw/zinc/53/92/10/385539210.db2.gz PUJSLWBCCMXQSK-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1ncnn1CC ZINC000309343993 385541787 /nfs/dbraw/zinc/54/17/87/385541787.db2.gz VZVVKRZVUFPFLD-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1ncnn1CC ZINC000309343993 385541789 /nfs/dbraw/zinc/54/17/89/385541789.db2.gz VZVVKRZVUFPFLD-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)C1(O)CCSCC1 ZINC000408033845 385544355 /nfs/dbraw/zinc/54/43/55/385544355.db2.gz ADQXYBXSIGNAMX-UHFFFAOYSA-N 1 2 241.316 0.284 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000364957237 385547143 /nfs/dbraw/zinc/54/71/43/385547143.db2.gz VSGGQCADDXGBMK-ZMLRMANQSA-N 1 2 248.330 0.506 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000364957237 385547150 /nfs/dbraw/zinc/54/71/50/385547150.db2.gz VSGGQCADDXGBMK-ZMLRMANQSA-N 1 2 248.330 0.506 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2ccn[nH]2)[C@@H]2CCCCN12 ZINC000302443610 385525129 /nfs/dbraw/zinc/52/51/29/385525129.db2.gz NSPCNJLXXYZCRA-QWRGUYRKSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]2CCCCN12 ZINC000302443609 385525434 /nfs/dbraw/zinc/52/54/34/385525434.db2.gz NSPCNJLXXYZCRA-MNOVXSKESA-N 1 2 234.303 0.653 20 0 BCADLO Cc1cc(N2C[C@@H](C)[C@H](C(N)=O)C2)nc[nH+]1 ZINC000408034923 385552379 /nfs/dbraw/zinc/55/23/79/385552379.db2.gz IGLGGWPHSHTLNI-VXNVDRBHSA-N 1 2 220.276 0.343 20 0 BCADLO C[C@H]([NH2+]CCn1cccn1)c1ncn(C)n1 ZINC000309376499 385555603 /nfs/dbraw/zinc/55/56/03/385555603.db2.gz CRGLBTGGTDPLFC-VIFPVBQESA-N 1 2 220.280 0.362 20 0 BCADLO CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000334477620 385557162 /nfs/dbraw/zinc/55/71/62/385557162.db2.gz PLWZOBYNGLEDLS-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN(CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000334477620 385557164 /nfs/dbraw/zinc/55/71/64/385557164.db2.gz PLWZOBYNGLEDLS-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CSC1(C[N@@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000334492158 385560560 /nfs/dbraw/zinc/56/05/60/385560560.db2.gz XANZZQUBLYTNOW-UHFFFAOYSA-N 1 2 240.332 0.695 20 0 BCADLO CSC1(C[N@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000334492158 385560565 /nfs/dbraw/zinc/56/05/65/385560565.db2.gz XANZZQUBLYTNOW-UHFFFAOYSA-N 1 2 240.332 0.695 20 0 BCADLO CSC1(C[N@@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000334492158 385560566 /nfs/dbraw/zinc/56/05/66/385560566.db2.gz XANZZQUBLYTNOW-UHFFFAOYSA-N 1 2 240.332 0.695 20 0 BCADLO CSC1(C[N@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000334492158 385560570 /nfs/dbraw/zinc/56/05/70/385560570.db2.gz XANZZQUBLYTNOW-UHFFFAOYSA-N 1 2 240.332 0.695 20 0 BCADLO C[N@H+](CCNS(C)(=O)=O)CCC(F)(F)F ZINC000107299597 385562663 /nfs/dbraw/zinc/56/26/63/385562663.db2.gz OOVQLEMZVWZDRE-UHFFFAOYSA-N 1 2 248.270 0.420 20 0 BCADLO C[N@@H+](CCNS(C)(=O)=O)CCC(F)(F)F ZINC000107299597 385562665 /nfs/dbraw/zinc/56/26/65/385562665.db2.gz OOVQLEMZVWZDRE-UHFFFAOYSA-N 1 2 248.270 0.420 20 0 BCADLO C[C@]1(O)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000408155263 385573316 /nfs/dbraw/zinc/57/33/16/385573316.db2.gz QCJRBYCSQVCUCA-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000408153816 385573363 /nfs/dbraw/zinc/57/33/63/385573363.db2.gz FYUZSXOAEMDHMB-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000408153816 385573365 /nfs/dbraw/zinc/57/33/65/385573365.db2.gz FYUZSXOAEMDHMB-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000408153818 385573501 /nfs/dbraw/zinc/57/35/01/385573501.db2.gz FYUZSXOAEMDHMB-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000408153818 385573504 /nfs/dbraw/zinc/57/35/04/385573504.db2.gz FYUZSXOAEMDHMB-ONGXEEELSA-N 1 2 237.303 0.572 20 0 BCADLO COC(=O)C(C)(C)CC[NH2+]CC(F)(F)CO ZINC000309480159 385606328 /nfs/dbraw/zinc/60/63/28/385606328.db2.gz SVFRQYKOADFAHQ-UHFFFAOYSA-N 1 2 239.262 0.793 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCN1CCO[C@H](C)C1 ZINC000337322041 385596002 /nfs/dbraw/zinc/59/60/02/385596002.db2.gz CSUGCBLTARGMPE-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)N1CCOCC1 ZINC000337321422 385597341 /nfs/dbraw/zinc/59/73/41/385597341.db2.gz JLRGKNOJXRPARO-NSHDSACASA-N 1 2 249.314 0.471 20 0 BCADLO COC[C@@H](CC(C)C)[NH2+]Cc1nnn(C)n1 ZINC000309440442 385583362 /nfs/dbraw/zinc/58/33/62/385583362.db2.gz IINQPGYNEQRMFO-SECBINFHSA-N 1 2 227.312 0.361 20 0 BCADLO CCO/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000493595048 385585589 /nfs/dbraw/zinc/58/55/89/385585589.db2.gz SGJFKGPITXQXLR-ZPMKCOPCSA-N 1 2 242.319 0.374 20 0 BCADLO C[C@@H](CCCO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493644682 385588025 /nfs/dbraw/zinc/58/80/25/385588025.db2.gz NXQVNVWLQFPSRP-YEZKRMTDSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1ccnc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000309490542 385618932 /nfs/dbraw/zinc/61/89/32/385618932.db2.gz IJOFATVCEWARCX-SSDOTTSWSA-N 1 2 237.225 0.823 20 0 BCADLO CC(C)[C@@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493851088 385632185 /nfs/dbraw/zinc/63/21/85/385632185.db2.gz JEMXUTMOIJDPPH-ITKZLYELSA-N 1 2 237.303 0.946 20 0 BCADLO COC(=O)[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000281185478 385641866 /nfs/dbraw/zinc/64/18/66/385641866.db2.gz LRNFDTOUMOHJBU-VIFPVBQESA-N 1 2 239.275 0.293 20 0 BCADLO Cc1nnccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269907548 385647570 /nfs/dbraw/zinc/64/75/70/385647570.db2.gz JJXDWBRFLVCHLU-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO CC(F)(F)C(=O)NCc1ccc(N)[nH+]c1 ZINC000283421603 385657510 /nfs/dbraw/zinc/65/75/10/385657510.db2.gz AJONXISICOFYKM-UHFFFAOYSA-N 1 2 215.203 0.935 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000408207642 385662528 /nfs/dbraw/zinc/66/25/28/385662528.db2.gz IOYBNBIZONSIDW-KOLCDFICSA-N 1 2 240.307 0.051 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000408207642 385662530 /nfs/dbraw/zinc/66/25/30/385662530.db2.gz IOYBNBIZONSIDW-KOLCDFICSA-N 1 2 240.307 0.051 20 0 BCADLO CC1(C)C[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000337477715 385680424 /nfs/dbraw/zinc/68/04/24/385680424.db2.gz TWCUGFVRQXRRGX-MNOVXSKESA-N 1 2 237.347 0.149 20 0 BCADLO Cc1nnc(C[NH+](C)C[C@@H]2CCCO2)o1 ZINC000052102084 385681408 /nfs/dbraw/zinc/68/14/08/385681408.db2.gz HSSMBYRFZZUGJE-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000270210893 385685541 /nfs/dbraw/zinc/68/55/41/385685541.db2.gz DRIAWSQEDWQNSD-SCZZXKLOSA-N 1 2 223.276 0.751 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(C)cn1 ZINC000270223779 385686606 /nfs/dbraw/zinc/68/66/06/385686606.db2.gz HVEUKTRCVFSQMC-VIFPVBQESA-N 1 2 233.275 0.435 20 0 BCADLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC000309563551 385694815 /nfs/dbraw/zinc/69/48/15/385694815.db2.gz LSLMRVZJGNSELM-JGVFFNPUSA-N 1 2 244.364 0.711 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)NC(C)C)n1 ZINC000336653615 385697568 /nfs/dbraw/zinc/69/75/68/385697568.db2.gz GEPSKINXBMSNSP-SSDOTTSWSA-N 1 2 226.280 0.553 20 0 BCADLO Cc1ccc(NC(=O)C(=O)NCCF)c(C)[nH+]1 ZINC000281733852 385697915 /nfs/dbraw/zinc/69/79/15/385697915.db2.gz KBDKDYVQCRKZMJ-UHFFFAOYSA-N 1 2 239.250 0.723 20 0 BCADLO CC(C)c1nc(NC[C@](C)(O)CO)cc[nH+]1 ZINC000309574044 385707296 /nfs/dbraw/zinc/70/72/96/385707296.db2.gz OKHYZZWZDOIXHR-NSHDSACASA-N 1 2 225.292 0.755 20 0 BCADLO C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000270093319 385666753 /nfs/dbraw/zinc/66/67/53/385666753.db2.gz HVTZDKVWOXBQPY-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCNC(=O)CC1 ZINC000184511639 385669289 /nfs/dbraw/zinc/66/92/89/385669289.db2.gz AYWMKWLHUYZWBP-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCNC(=O)CC1 ZINC000184511639 385669291 /nfs/dbraw/zinc/66/92/91/385669291.db2.gz AYWMKWLHUYZWBP-SECBINFHSA-N 1 2 220.276 0.360 20 0 BCADLO Cc1ncc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000270099915 385670694 /nfs/dbraw/zinc/67/06/94/385670694.db2.gz NTWZPBAPAITLEP-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO COCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493423794 533145549 /nfs/dbraw/zinc/14/55/49/533145549.db2.gz RXFTYWQVDUFYSE-NSCUHMNNSA-N 1 2 221.260 0.718 20 0 BCADLO CC(C)OC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000647939762 385734989 /nfs/dbraw/zinc/73/49/89/385734989.db2.gz ZXSBPUPLABURBQ-GFCCVEGCSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000647939762 385734992 /nfs/dbraw/zinc/73/49/92/385734992.db2.gz ZXSBPUPLABURBQ-GFCCVEGCSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000647939762 385734995 /nfs/dbraw/zinc/73/49/95/385734995.db2.gz ZXSBPUPLABURBQ-GFCCVEGCSA-N 1 2 239.319 0.485 20 0 BCADLO O=C(CO)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000270724967 385735983 /nfs/dbraw/zinc/73/59/83/385735983.db2.gz AWYLUUYWHDACIQ-UHFFFAOYSA-N 1 2 235.287 0.290 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CO)C2)[nH]1 ZINC000408374483 385738702 /nfs/dbraw/zinc/73/87/02/385738702.db2.gz KXOJLKJZOPZYOV-VIFPVBQESA-N 1 2 224.308 0.742 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CO)C2)[nH]1 ZINC000408374483 385738705 /nfs/dbraw/zinc/73/87/05/385738705.db2.gz KXOJLKJZOPZYOV-VIFPVBQESA-N 1 2 224.308 0.742 20 0 BCADLO CCC[C@H](C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365760066 385744928 /nfs/dbraw/zinc/74/49/28/385744928.db2.gz XEJJXEFAFZYBFK-LPEHRKFASA-N 1 2 242.319 0.442 20 0 BCADLO C[NH+](C)CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000183297204 385751911 /nfs/dbraw/zinc/75/19/11/385751911.db2.gz WSTOHBRPSPDSDO-UHFFFAOYSA-N 1 2 244.241 0.962 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1OCC[C@H]1C)CC2 ZINC000366618306 385759472 /nfs/dbraw/zinc/75/94/72/385759472.db2.gz GHAYZJKZQRJOGC-SKDRFNHKSA-N 1 2 249.314 0.959 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000363867692 385774179 /nfs/dbraw/zinc/77/41/79/385774179.db2.gz WVUKPNWIWVSNFE-LLVKDONJSA-N 1 2 233.271 0.718 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000363867692 385774183 /nfs/dbraw/zinc/77/41/83/385774183.db2.gz WVUKPNWIWVSNFE-LLVKDONJSA-N 1 2 233.271 0.718 20 0 BCADLO CC/C=C(\C)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365786937 385778004 /nfs/dbraw/zinc/77/80/04/385778004.db2.gz OUQPKTGIOCUDFN-AIYFBYTFSA-N 1 2 240.303 0.362 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282705741 385780026 /nfs/dbraw/zinc/78/00/26/385780026.db2.gz KFKDTXFIJFDTNU-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282705741 385780030 /nfs/dbraw/zinc/78/00/30/385780030.db2.gz KFKDTXFIJFDTNU-NSHDSACASA-N 1 2 242.344 0.644 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000282707482 385780040 /nfs/dbraw/zinc/78/00/40/385780040.db2.gz KIIBUASEXFFBRF-SNVBAGLBSA-N 1 2 229.301 0.899 20 0 BCADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000282707482 385780045 /nfs/dbraw/zinc/78/00/45/385780045.db2.gz KIIBUASEXFFBRF-SNVBAGLBSA-N 1 2 229.301 0.899 20 0 BCADLO Cn1cccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282705738 385781102 /nfs/dbraw/zinc/78/11/02/385781102.db2.gz KFKDTXFIJFDTNU-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO Cn1cccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282705738 385781114 /nfs/dbraw/zinc/78/11/14/385781114.db2.gz KFKDTXFIJFDTNU-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO COC(=O)C[N@H+](C)CCn1cc(C)cn1 ZINC000336689835 385719220 /nfs/dbraw/zinc/71/92/20/385719220.db2.gz MENWPBPXRSRYDO-UHFFFAOYSA-N 1 2 211.265 0.296 20 0 BCADLO COC(=O)C[N@@H+](C)CCn1cc(C)cn1 ZINC000336689835 385719224 /nfs/dbraw/zinc/71/92/24/385719224.db2.gz MENWPBPXRSRYDO-UHFFFAOYSA-N 1 2 211.265 0.296 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000271215336 385805317 /nfs/dbraw/zinc/80/53/17/385805317.db2.gz WHKGEMINNONOME-SNVBAGLBSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000271215336 385805322 /nfs/dbraw/zinc/80/53/22/385805322.db2.gz WHKGEMINNONOME-SNVBAGLBSA-N 1 2 222.292 0.381 20 0 BCADLO COC[C@@H](O)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000336716472 385811492 /nfs/dbraw/zinc/81/14/92/385811492.db2.gz WEXYBSGIQKPUFL-WPRPVWTQSA-N 1 2 225.292 0.384 20 0 BCADLO COC[C@@H](O)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000336716468 385812082 /nfs/dbraw/zinc/81/20/82/385812082.db2.gz WEXYBSGIQKPUFL-WCBMZHEXSA-N 1 2 225.292 0.384 20 0 BCADLO Cn1cc([C@H](CO)[NH2+]Cc2ccco2)cn1 ZINC000336715077 385812685 /nfs/dbraw/zinc/81/26/85/385812685.db2.gz VFMBYOUPEGFNHG-NSHDSACASA-N 1 2 221.260 0.836 20 0 BCADLO CN(Cc1ccon1)C(=O)NCCn1cc[nH+]c1 ZINC000353198957 385814495 /nfs/dbraw/zinc/81/44/95/385814495.db2.gz VCPKCOKLKUCQBK-UHFFFAOYSA-N 1 2 249.274 0.713 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cnccn1 ZINC000271294327 385815820 /nfs/dbraw/zinc/81/58/20/385815820.db2.gz CWXGZKRASJHNGD-SECBINFHSA-N 1 2 223.276 0.512 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cnccn1 ZINC000271294327 385815822 /nfs/dbraw/zinc/81/58/22/385815822.db2.gz CWXGZKRASJHNGD-SECBINFHSA-N 1 2 223.276 0.512 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccccn1 ZINC000186945413 385816220 /nfs/dbraw/zinc/81/62/20/385816220.db2.gz RUOKRTAJIFEDIK-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccn1 ZINC000186945413 385816225 /nfs/dbraw/zinc/81/62/25/385816225.db2.gz RUOKRTAJIFEDIK-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC000602772864 385820798 /nfs/dbraw/zinc/82/07/98/385820798.db2.gz MEFTUNWJJXLCOW-QMMMGPOBSA-N 1 2 238.291 0.307 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(C)C(=O)[C@H]1C ZINC000186987510 385823520 /nfs/dbraw/zinc/82/35/20/385823520.db2.gz PJJIVEBFJRATSG-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nccn1C ZINC000231842263 385823859 /nfs/dbraw/zinc/82/38/59/385823859.db2.gz CCCPZMKRSCWOPW-SECBINFHSA-N 1 2 224.308 0.377 20 0 BCADLO CCc1nocc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414568698 385826238 /nfs/dbraw/zinc/82/62/38/385826238.db2.gz HUVNLAHKJUWNJP-JOYOIKCWSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414568698 385826243 /nfs/dbraw/zinc/82/62/43/385826243.db2.gz HUVNLAHKJUWNJP-JOYOIKCWSA-N 1 2 240.303 0.819 20 0 BCADLO CO[C@H](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283640270 385827143 /nfs/dbraw/zinc/82/71/43/385827143.db2.gz CBPNLIDHKVGITA-CDAZIORVSA-N 1 2 223.276 0.964 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000284245701 385857824 /nfs/dbraw/zinc/85/78/24/385857824.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000284245701 385857828 /nfs/dbraw/zinc/85/78/28/385857828.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000284245701 385857830 /nfs/dbraw/zinc/85/78/30/385857830.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000284245701 385857832 /nfs/dbraw/zinc/85/78/32/385857832.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000284245701 385857833 /nfs/dbraw/zinc/85/78/33/385857833.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000284245701 385857836 /nfs/dbraw/zinc/85/78/36/385857836.db2.gz LDTWJSDSRMGKJQ-VIFPVBQESA-N 1 2 248.290 0.876 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cnn[nH]2)C1 ZINC000283843098 385836781 /nfs/dbraw/zinc/83/67/81/385836781.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000283843098 385836786 /nfs/dbraw/zinc/83/67/86/385836786.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2c[nH]nn2)C1 ZINC000283843098 385836789 /nfs/dbraw/zinc/83/67/89/385836789.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000283843098 385836792 /nfs/dbraw/zinc/83/67/92/385836792.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cn[nH]n2)C1 ZINC000283843098 385836795 /nfs/dbraw/zinc/83/67/95/385836795.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000283843098 385836800 /nfs/dbraw/zinc/83/68/00/385836800.db2.gz HIAJFQFUZIYCJM-SNVBAGLBSA-N 1 2 224.264 0.190 20 0 BCADLO C[N@H+](Cc1nc(=O)[nH][nH]1)[C@H](CO)c1ccccc1 ZINC000271607424 385842059 /nfs/dbraw/zinc/84/20/59/385842059.db2.gz JPODYDVEXAHQEH-SNVBAGLBSA-N 1 2 248.286 0.263 20 0 BCADLO C[N@@H+](Cc1nc(=O)[nH][nH]1)[C@H](CO)c1ccccc1 ZINC000271607424 385842062 /nfs/dbraw/zinc/84/20/62/385842062.db2.gz JPODYDVEXAHQEH-SNVBAGLBSA-N 1 2 248.286 0.263 20 0 BCADLO Nc1cc(CN2CCS(=O)CC2)cc[nH+]1 ZINC000052725933 385842345 /nfs/dbraw/zinc/84/23/45/385842345.db2.gz WHRHCRPSDNJFSK-UHFFFAOYSA-N 1 2 225.317 0.228 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)NCC1CC1 ZINC000271664786 385842941 /nfs/dbraw/zinc/84/29/41/385842941.db2.gz FBJXSSQIVAAALA-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO CCC[C@@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000112429958 385843007 /nfs/dbraw/zinc/84/30/07/385843007.db2.gz VFUTZCXZTITBIX-SNVBAGLBSA-N 1 2 240.307 0.343 20 0 BCADLO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000283971520 385844104 /nfs/dbraw/zinc/84/41/04/385844104.db2.gz LFCGZDLCBRKRJJ-MNOVXSKESA-N 1 2 241.335 0.657 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000294386321 385844435 /nfs/dbraw/zinc/84/44/35/385844435.db2.gz VDXFQMWKWRSSPO-GMSGAONNSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000294386321 385844437 /nfs/dbraw/zinc/84/44/37/385844437.db2.gz VDXFQMWKWRSSPO-GMSGAONNSA-N 1 2 239.275 0.058 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cn1 ZINC000414577516 385845328 /nfs/dbraw/zinc/84/53/28/385845328.db2.gz HHHZDIOGJPMBBF-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cn1 ZINC000414577516 385845333 /nfs/dbraw/zinc/84/53/33/385845333.db2.gz HHHZDIOGJPMBBF-PWSUYJOCSA-N 1 2 239.319 0.485 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644837180 385847373 /nfs/dbraw/zinc/84/73/73/385847373.db2.gz INVXAMUKCBIMIW-BRPSZJMVSA-N 1 2 241.722 0.744 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644837180 385847376 /nfs/dbraw/zinc/84/73/76/385847376.db2.gz INVXAMUKCBIMIW-BRPSZJMVSA-N 1 2 241.722 0.744 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000284762832 385884220 /nfs/dbraw/zinc/88/42/20/385884220.db2.gz SCZNNHGRZFGIOX-RYUDHWBXSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC000284762832 385884223 /nfs/dbraw/zinc/88/42/23/385884223.db2.gz SCZNNHGRZFGIOX-RYUDHWBXSA-N 1 2 249.314 0.560 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000123562039 385889305 /nfs/dbraw/zinc/88/93/05/385889305.db2.gz ZJOMLMZXCJTJQJ-QMMMGPOBSA-N 1 2 231.321 0.323 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000123561810 385889642 /nfs/dbraw/zinc/88/96/42/385889642.db2.gz ZJOMLMZXCJTJQJ-MRVPVSSYSA-N 1 2 231.321 0.323 20 0 BCADLO OC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647847623 385898201 /nfs/dbraw/zinc/89/82/01/385898201.db2.gz KWEONSVPFMMEDL-UHFFFAOYSA-N 1 2 236.275 0.242 20 0 BCADLO OC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000647847623 385898205 /nfs/dbraw/zinc/89/82/05/385898205.db2.gz KWEONSVPFMMEDL-UHFFFAOYSA-N 1 2 236.275 0.242 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000338121070 385900519 /nfs/dbraw/zinc/90/05/19/385900519.db2.gz OYILVOKMUOQJAL-BQBZGAKWSA-N 1 2 229.230 0.938 20 0 BCADLO COC[C@@H](C)[N@H+](C)Cc1nccnc1OC ZINC000294892602 385910811 /nfs/dbraw/zinc/91/08/11/385910811.db2.gz RNXGFINPROSEGD-SECBINFHSA-N 1 2 225.292 0.952 20 0 BCADLO COC[C@@H](C)[N@@H+](C)Cc1nccnc1OC ZINC000294892602 385910814 /nfs/dbraw/zinc/91/08/14/385910814.db2.gz RNXGFINPROSEGD-SECBINFHSA-N 1 2 225.292 0.952 20 0 BCADLO COC[C@@H]([NH2+]C[C@H]1CCSC1)C(=O)OC ZINC000336745967 385911119 /nfs/dbraw/zinc/91/11/19/385911119.db2.gz AUVSENVWQJRQHZ-RKDXNWHRSA-N 1 2 233.333 0.517 20 0 BCADLO CCOCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000365984922 385912901 /nfs/dbraw/zinc/91/29/01/385912901.db2.gz BUGKLOFXIAYGGB-VIFPVBQESA-N 1 2 237.303 0.982 20 0 BCADLO CCOCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000365984922 385912905 /nfs/dbraw/zinc/91/29/05/385912905.db2.gz BUGKLOFXIAYGGB-VIFPVBQESA-N 1 2 237.303 0.982 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365984921 385913257 /nfs/dbraw/zinc/91/32/57/385913257.db2.gz BUGKLOFXIAYGGB-SECBINFHSA-N 1 2 237.303 0.982 20 0 BCADLO CCOCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000365984921 385913262 /nfs/dbraw/zinc/91/32/62/385913262.db2.gz BUGKLOFXIAYGGB-SECBINFHSA-N 1 2 237.303 0.982 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)CCCO ZINC000285299326 385913933 /nfs/dbraw/zinc/91/39/33/385913933.db2.gz LWWYRFSRHANAET-UHFFFAOYSA-N 1 2 228.248 0.275 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)CCCO ZINC000285299326 385913937 /nfs/dbraw/zinc/91/39/37/385913937.db2.gz LWWYRFSRHANAET-UHFFFAOYSA-N 1 2 228.248 0.275 20 0 BCADLO CN(C)c1ncc(C[N@H+](C)CCF)cn1 ZINC000272598146 385914547 /nfs/dbraw/zinc/91/45/47/385914547.db2.gz OIBLMRXNFDAHKT-UHFFFAOYSA-N 1 2 212.272 0.944 20 0 BCADLO CN(C)c1ncc(C[N@@H+](C)CCF)cn1 ZINC000272598146 385914552 /nfs/dbraw/zinc/91/45/52/385914552.db2.gz OIBLMRXNFDAHKT-UHFFFAOYSA-N 1 2 212.272 0.944 20 0 BCADLO C[C@@H]1OCC[C@H]1[S@@](=O)Cc1[nH+]ccn1C ZINC000338218738 385918786 /nfs/dbraw/zinc/91/87/86/385918786.db2.gz ALVSHNUACHMYPQ-QQXLSSBLSA-N 1 2 228.317 0.846 20 0 BCADLO C[C@@H]1OCC[C@H]1[S@](=O)Cc1[nH+]ccn1C ZINC000338218736 385919457 /nfs/dbraw/zinc/91/94/57/385919457.db2.gz ALVSHNUACHMYPQ-IQMYEBEASA-N 1 2 228.317 0.846 20 0 BCADLO Cn1ncn(Cc2[nH+]c3ccccc3n2C)c1=O ZINC000272650775 385921714 /nfs/dbraw/zinc/92/17/14/385921714.db2.gz PTKWKGUIVOJBEF-UHFFFAOYSA-N 1 2 243.270 0.517 20 0 BCADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC1 ZINC000342076273 385922063 /nfs/dbraw/zinc/92/20/63/385922063.db2.gz MSEYNGQLGMYTDY-PHIMTYICSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC1 ZINC000342076273 385922070 /nfs/dbraw/zinc/92/20/70/385922070.db2.gz MSEYNGQLGMYTDY-PHIMTYICSA-N 1 2 224.304 0.376 20 0 BCADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCOC1 ZINC000272695624 385924665 /nfs/dbraw/zinc/92/46/65/385924665.db2.gz HLJVELODJMMVIX-LLVKDONJSA-N 1 2 223.276 0.843 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000294512484 385860788 /nfs/dbraw/zinc/86/07/88/385860788.db2.gz CDXBRMOTWCSAEL-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000294512484 385860792 /nfs/dbraw/zinc/86/07/92/385860792.db2.gz CDXBRMOTWCSAEL-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO C[C@H](CNC(=O)c1cnn(C)n1)Cn1cc[nH+]c1 ZINC000284312632 385862595 /nfs/dbraw/zinc/86/25/95/385862595.db2.gz KFKAXYWDDFDTJK-SECBINFHSA-N 1 2 248.290 0.078 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccs1 ZINC000163742723 385863576 /nfs/dbraw/zinc/86/35/76/385863576.db2.gz ORYWWUSGILEQET-WCBMZHEXSA-N 1 2 241.312 0.856 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccs1 ZINC000163742723 385863579 /nfs/dbraw/zinc/86/35/79/385863579.db2.gz ORYWWUSGILEQET-WCBMZHEXSA-N 1 2 241.312 0.856 20 0 BCADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000284440196 385867807 /nfs/dbraw/zinc/86/78/07/385867807.db2.gz QBUXWTKQDAXXFL-KXMPLOMGSA-N 1 2 221.260 0.718 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735076 385872363 /nfs/dbraw/zinc/87/23/63/385872363.db2.gz QLZOJXCCCUFGSN-KCJUWKMLSA-N 1 2 235.287 0.719 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735076 385872372 /nfs/dbraw/zinc/87/23/72/385872372.db2.gz QLZOJXCCCUFGSN-KCJUWKMLSA-N 1 2 235.287 0.719 20 0 BCADLO CC1(C)C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000284494724 385872731 /nfs/dbraw/zinc/87/27/31/385872731.db2.gz UOTBXEDZSKJMFP-NWALNABHSA-N 1 2 249.270 0.633 20 0 BCADLO CC(C)(C)c1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000232521911 385873468 /nfs/dbraw/zinc/87/34/68/385873468.db2.gz ARVUJQASUHWQBA-IUCAKERBSA-N 1 2 240.303 0.510 20 0 BCADLO CC[C@@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284526869 385873926 /nfs/dbraw/zinc/87/39/26/385873926.db2.gz WMJJYDACZJAUOK-FSIBCCDJSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C2)cs1 ZINC000294622475 385875347 /nfs/dbraw/zinc/87/53/47/385875347.db2.gz YOQHDSSFASHLMG-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C2)cs1 ZINC000294622475 385875352 /nfs/dbraw/zinc/87/53/52/385875352.db2.gz YOQHDSSFASHLMG-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO C[C@@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284552018 385876058 /nfs/dbraw/zinc/87/60/58/385876058.db2.gz XUCVZMZCBVAKGL-HPOULIHZSA-N 1 2 223.276 0.558 20 0 BCADLO C[C@@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000123391158 385881070 /nfs/dbraw/zinc/88/10/70/385881070.db2.gz BLTIIMOCXRLMBC-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO C[C@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000123391357 385881228 /nfs/dbraw/zinc/88/12/28/385881228.db2.gz BLTIIMOCXRLMBC-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C)c1ccncc1F ZINC000338357248 385977116 /nfs/dbraw/zinc/97/71/16/385977116.db2.gz OFIKPPPJXHKHOW-ZETCQYMHSA-N 1 2 236.254 0.595 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338369670 385981261 /nfs/dbraw/zinc/98/12/61/385981261.db2.gz IXYCYTKLPWGIGA-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338369670 385981270 /nfs/dbraw/zinc/98/12/70/385981270.db2.gz IXYCYTKLPWGIGA-PHIMTYICSA-N 1 2 224.260 0.583 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@](C)(O)C1CC1 ZINC000285981392 385984672 /nfs/dbraw/zinc/98/46/72/385984672.db2.gz CADQMALGKKRZJL-NSHDSACASA-N 1 2 223.276 0.197 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377950 385985249 /nfs/dbraw/zinc/98/52/49/385985249.db2.gz APYJLHLSNLAOQU-PHIMTYICSA-N 1 2 238.287 0.891 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377950 385985253 /nfs/dbraw/zinc/98/52/53/385985253.db2.gz APYJLHLSNLAOQU-PHIMTYICSA-N 1 2 238.287 0.891 20 0 BCADLO CCCCNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338386323 385987255 /nfs/dbraw/zinc/98/72/55/385987255.db2.gz XCOCNYLEDKATMR-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO CCCCNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338386323 385987264 /nfs/dbraw/zinc/98/72/64/385987264.db2.gz XCOCNYLEDKATMR-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000251669254 385990576 /nfs/dbraw/zinc/99/05/76/385990576.db2.gz ILCCDJFQJDMORX-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000251669254 385990580 /nfs/dbraw/zinc/99/05/80/385990580.db2.gz ILCCDJFQJDMORX-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCn1cc(C)cn1 ZINC000342121495 385933528 /nfs/dbraw/zinc/93/35/28/385933528.db2.gz FOGHQVRNRUMWBX-JTQLQIEISA-N 1 2 225.292 0.685 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCn1cc(C)cn1 ZINC000342121495 385933535 /nfs/dbraw/zinc/93/35/35/385933535.db2.gz FOGHQVRNRUMWBX-JTQLQIEISA-N 1 2 225.292 0.685 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2COCC2(C)C)c[nH+]1 ZINC000335041402 385933851 /nfs/dbraw/zinc/93/38/51/385933851.db2.gz JXEDLSBKESZXJE-VIFPVBQESA-N 1 2 223.276 0.873 20 0 BCADLO Cn1[nH]cnc1=NCCCCNc1cccc[nH+]1 ZINC000647864992 385944500 /nfs/dbraw/zinc/94/45/00/385944500.db2.gz SPPZJGPBJYREFB-UHFFFAOYSA-N 1 2 246.318 0.936 20 0 BCADLO CC[C@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272883567 385945075 /nfs/dbraw/zinc/94/50/75/385945075.db2.gz VVVYQRCMJNFRRY-SNVBAGLBSA-N 1 2 211.265 0.609 20 0 BCADLO Cn1cc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000342155102 385947589 /nfs/dbraw/zinc/94/75/89/385947589.db2.gz YTMFLCLMNOWLJZ-UHFFFAOYSA-N 1 2 220.236 0.465 20 0 BCADLO O=C1NCCC[C@H]1SCC[NH+]1CCOCC1 ZINC000342169554 385949040 /nfs/dbraw/zinc/94/90/40/385949040.db2.gz GYWDAOLQYCEKTL-SNVBAGLBSA-N 1 2 244.360 0.330 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338293504 385956589 /nfs/dbraw/zinc/95/65/89/385956589.db2.gz HZKHYJYSRMHWRZ-GFCCVEGCSA-N 1 2 249.314 0.600 20 0 BCADLO CN(Cc1nnnn1C)c1cccc[nH+]1 ZINC000342215525 385959583 /nfs/dbraw/zinc/95/95/83/385959583.db2.gz DLVYFUULHJESSM-UHFFFAOYSA-N 1 2 204.237 0.242 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CCCC1 ZINC000285802874 385965498 /nfs/dbraw/zinc/96/54/98/385965498.db2.gz DWXNERYROFDCBB-JTQLQIEISA-N 1 2 248.286 0.815 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C1CCCC1 ZINC000285802874 385965505 /nfs/dbraw/zinc/96/55/05/385965505.db2.gz DWXNERYROFDCBB-JTQLQIEISA-N 1 2 248.286 0.815 20 0 BCADLO COCC[N@@H+](CC(=O)OC)C[C@H](OC)C1CC1 ZINC000425406168 385971284 /nfs/dbraw/zinc/97/12/84/385971284.db2.gz OVRZODOCRBYQCE-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO COCC[N@H+](CC(=O)OC)C[C@H](OC)C1CC1 ZINC000425406168 385971290 /nfs/dbraw/zinc/97/12/90/385971290.db2.gz OVRZODOCRBYQCE-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO Cc1ncc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)[nH]1 ZINC000335016536 385974174 /nfs/dbraw/zinc/97/41/74/385974174.db2.gz BIUPQGWAEVTHAC-DTWKUNHWSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)[nH]1 ZINC000335016536 385974180 /nfs/dbraw/zinc/97/41/80/385974180.db2.gz BIUPQGWAEVTHAC-DTWKUNHWSA-N 1 2 236.319 0.883 20 0 BCADLO Nc1[nH+]cnc(N[C@H]2C[C@@H](O)C2)c1Cl ZINC000295132027 385974863 /nfs/dbraw/zinc/97/48/63/385974863.db2.gz CNDUDKZYMXKHMP-SYDPRGILSA-N 1 2 214.656 0.647 20 0 BCADLO Nc1nc[nH+]c(N[C@H]2C[C@@H](O)C2)c1Cl ZINC000295132027 385974868 /nfs/dbraw/zinc/97/48/68/385974868.db2.gz CNDUDKZYMXKHMP-SYDPRGILSA-N 1 2 214.656 0.647 20 0 BCADLO C[S@@](=O)CCC[NH2+]Cc1ccn[nH]1 ZINC000124227055 386002267 /nfs/dbraw/zinc/00/22/67/386002267.db2.gz YQHZYPJRSQHDIF-ZDUSSCGKSA-N 1 2 201.295 0.268 20 0 BCADLO COC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000336752290 386015027 /nfs/dbraw/zinc/01/50/27/386015027.db2.gz GANKUFQOJYOCAI-UHFFFAOYSA-N 1 2 215.293 0.834 20 0 BCADLO CCC(CC)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000113272071 386019181 /nfs/dbraw/zinc/01/91/81/386019181.db2.gz ONGISJSOFNTGMX-UHFFFAOYSA-N 1 2 248.392 1.000 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](O)C(C)C ZINC000286306684 386021537 /nfs/dbraw/zinc/02/15/37/386021537.db2.gz XINJKVAIZWZLHJ-SECBINFHSA-N 1 2 211.265 0.351 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cnc(C)[nH]c2=O)c[nH+]1 ZINC000345119004 386024437 /nfs/dbraw/zinc/02/44/37/386024437.db2.gz YTSFGUOJEGHWJB-UHFFFAOYSA-N 1 2 247.258 0.452 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)on1 ZINC000340227182 386031800 /nfs/dbraw/zinc/03/18/00/386031800.db2.gz ZRBUTXOEXNHKKH-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)on1 ZINC000340227182 386031812 /nfs/dbraw/zinc/03/18/12/386031812.db2.gz ZRBUTXOEXNHKKH-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226967 386032210 /nfs/dbraw/zinc/03/22/10/386032210.db2.gz VRUCZNQQOCJYPQ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226967 386032212 /nfs/dbraw/zinc/03/22/12/386032212.db2.gz VRUCZNQQOCJYPQ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@H]1CCNC1=O ZINC000340227111 386032276 /nfs/dbraw/zinc/03/22/76/386032276.db2.gz YCXWDVYTNFCCPF-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227111 386032282 /nfs/dbraw/zinc/03/22/82/386032282.db2.gz YCXWDVYTNFCCPF-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000334428512 386037735 /nfs/dbraw/zinc/03/77/35/386037735.db2.gz SNNIXNRTPBKWJF-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO Cn1cnc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000340504403 386038222 /nfs/dbraw/zinc/03/82/22/386038222.db2.gz GMLGDUFXHUXBQV-UHFFFAOYSA-N 1 2 218.216 0.195 20 0 BCADLO C[C@@H](C[NH+](C)C)Nc1nc2n[nH]cc2c(=O)[nH]1 ZINC000286463195 386040584 /nfs/dbraw/zinc/04/05/84/386040584.db2.gz PQTHMORLJXXKCR-LURJTMIESA-N 1 2 236.279 0.421 20 0 BCADLO C[C@@H](C[NH+](C)C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000286463195 386040591 /nfs/dbraw/zinc/04/05/91/386040591.db2.gz PQTHMORLJXXKCR-LURJTMIESA-N 1 2 236.279 0.421 20 0 BCADLO COCCN1C(=O)C2(CC2)[NH2+][C@@H]1C1CC1 ZINC000414202605 386040936 /nfs/dbraw/zinc/04/09/36/386040936.db2.gz NCESPACYDHOBMG-VIFPVBQESA-N 1 2 210.277 0.333 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCCOCC1)C(=O)OC ZINC000336771541 386045664 /nfs/dbraw/zinc/04/56/64/386045664.db2.gz UPKJFGBRRAMHKX-VHSXEESVSA-N 1 2 231.292 0.333 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1nnnn1C)C1CC1 ZINC000425425329 386046338 /nfs/dbraw/zinc/04/63/38/386046338.db2.gz QRLQNLLUZPVCJO-VIFPVBQESA-N 1 2 225.296 0.067 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1nnnn1C)C1CC1 ZINC000425425329 386046341 /nfs/dbraw/zinc/04/63/41/386046341.db2.gz QRLQNLLUZPVCJO-VIFPVBQESA-N 1 2 225.296 0.067 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCCOCC1)C(=O)OC ZINC000336771539 386047361 /nfs/dbraw/zinc/04/73/61/386047361.db2.gz UPKJFGBRRAMHKX-NXEZZACHSA-N 1 2 231.292 0.333 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000334439093 386047964 /nfs/dbraw/zinc/04/79/64/386047964.db2.gz UMTAJQHJSQPMJJ-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000334439093 386047969 /nfs/dbraw/zinc/04/79/69/386047969.db2.gz UMTAJQHJSQPMJJ-MNOVXSKESA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccoc1 ZINC000345102370 385996775 /nfs/dbraw/zinc/99/67/75/385996775.db2.gz ZVMGTSFKGUURPI-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccoc1 ZINC000345102370 385996782 /nfs/dbraw/zinc/99/67/82/385996782.db2.gz ZVMGTSFKGUURPI-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccn(C)n1 ZINC000274489401 386111354 /nfs/dbraw/zinc/11/13/54/386111354.db2.gz SHVUDXPZHKEZGW-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccn(C)n1 ZINC000274489401 386111356 /nfs/dbraw/zinc/11/13/56/386111356.db2.gz SHVUDXPZHKEZGW-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO COC[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000234858686 386112088 /nfs/dbraw/zinc/11/20/88/386112088.db2.gz RPFJKYLUYCCUJY-VIFPVBQESA-N 1 2 235.287 0.993 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@H]2F)c1 ZINC000424891341 386118048 /nfs/dbraw/zinc/11/80/48/386118048.db2.gz JPMXCJYKSIWAMC-MWLCHTKSSA-N 1 2 225.267 0.827 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@@H]2F)c1 ZINC000424891339 386118404 /nfs/dbraw/zinc/11/84/04/386118404.db2.gz JPMXCJYKSIWAMC-GXSJLCMTSA-N 1 2 225.267 0.827 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000336729489 386120298 /nfs/dbraw/zinc/12/02/98/386120298.db2.gz DDKCQYZEIPSBEF-RNFRBKRXSA-N 1 2 242.348 0.974 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000334442505 386060164 /nfs/dbraw/zinc/06/01/64/386060164.db2.gz CJIXVIJJLVHGFU-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000334442505 386060166 /nfs/dbraw/zinc/06/01/66/386060166.db2.gz CJIXVIJJLVHGFU-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000334442506 386061179 /nfs/dbraw/zinc/06/11/79/386061179.db2.gz CJIXVIJJLVHGFU-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000334442506 386061184 /nfs/dbraw/zinc/06/11/84/386061184.db2.gz CJIXVIJJLVHGFU-MNOVXSKESA-N 1 2 227.352 0.489 20 0 BCADLO CC(C)[C@@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000286638512 386061388 /nfs/dbraw/zinc/06/13/88/386061388.db2.gz YSPOOZXGKSALEU-WDEREUQCSA-N 1 2 239.319 0.652 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000335072903 386065365 /nfs/dbraw/zinc/06/53/65/386065365.db2.gz LALUPGPDCFIPQF-GHMZBOCLSA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000335072903 386065374 /nfs/dbraw/zinc/06/53/74/386065374.db2.gz LALUPGPDCFIPQF-GHMZBOCLSA-N 1 2 224.304 0.328 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000335073601 386066052 /nfs/dbraw/zinc/06/60/52/386066052.db2.gz RMJXPTNTTBTJPA-UHFFFAOYSA-N 1 2 239.706 0.913 20 0 BCADLO Cc1cc(N2CCN3C(=O)CC[C@H]3C2)nc[nH+]1 ZINC000345166992 386066753 /nfs/dbraw/zinc/06/67/53/386066753.db2.gz WMFYEPWCOIHZEG-JTQLQIEISA-N 1 2 232.287 0.596 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338592979 386067174 /nfs/dbraw/zinc/06/71/74/386067174.db2.gz IEXHNIHPOHCVSK-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338592979 386067179 /nfs/dbraw/zinc/06/71/79/386067179.db2.gz IEXHNIHPOHCVSK-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1CO ZINC000345270197 386068308 /nfs/dbraw/zinc/06/83/08/386068308.db2.gz WLCLHGJPXGCAPA-VIFPVBQESA-N 1 2 238.291 0.086 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1ncnn1CCF ZINC000338598495 386068685 /nfs/dbraw/zinc/06/86/85/386068685.db2.gz OCNYFFMTVXVIMZ-MRVPVSSYSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1ncnn1CCF ZINC000338598495 386068689 /nfs/dbraw/zinc/06/86/89/386068689.db2.gz OCNYFFMTVXVIMZ-MRVPVSSYSA-N 1 2 216.260 0.060 20 0 BCADLO COC(=O)CCC[N@@H+]1CCOCC12CC2 ZINC000338598100 386070393 /nfs/dbraw/zinc/07/03/93/386070393.db2.gz OCOZLBMXHWUEHL-UHFFFAOYSA-N 1 2 213.277 0.804 20 0 BCADLO COC(=O)CCC[N@H+]1CCOCC12CC2 ZINC000338598100 386070398 /nfs/dbraw/zinc/07/03/98/386070398.db2.gz OCOZLBMXHWUEHL-UHFFFAOYSA-N 1 2 213.277 0.804 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000286797780 386074573 /nfs/dbraw/zinc/07/45/73/386074573.db2.gz IOXNGKQHMJGEKI-GHMZBOCLSA-N 1 2 238.287 0.282 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000286797780 386074578 /nfs/dbraw/zinc/07/45/78/386074578.db2.gz IOXNGKQHMJGEKI-GHMZBOCLSA-N 1 2 238.287 0.282 20 0 BCADLO CC(=O)C1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000338603865 386075132 /nfs/dbraw/zinc/07/51/32/386075132.db2.gz YJWOROHARIDHNJ-UHFFFAOYSA-N 1 2 235.287 0.748 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622363 386075881 /nfs/dbraw/zinc/07/58/81/386075881.db2.gz BNNVPUVQYBONDR-CMPLNLGQSA-N 1 2 246.326 0.648 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338622363 386075888 /nfs/dbraw/zinc/07/58/88/386075888.db2.gz BNNVPUVQYBONDR-CMPLNLGQSA-N 1 2 246.326 0.648 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cnn(C)c1)C1CC1 ZINC000234552456 386079868 /nfs/dbraw/zinc/07/98/68/386079868.db2.gz XSKMESNSZJZBIE-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000286988570 386089642 /nfs/dbraw/zinc/08/96/42/386089642.db2.gz QFBLAYVZKDJFAX-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000286988570 386089648 /nfs/dbraw/zinc/08/96/48/386089648.db2.gz QFBLAYVZKDJFAX-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO CCO[C@@H]1C[C@@]([NH2+]CCO)(C(=O)OC)C1(C)C ZINC000189820565 386090200 /nfs/dbraw/zinc/09/02/00/386090200.db2.gz DXZWLXXELBCLMT-BXKDBHETSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075777372 386090224 /nfs/dbraw/zinc/09/02/24/386090224.db2.gz VWQCEILMMOJOAO-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000075777372 386090231 /nfs/dbraw/zinc/09/02/31/386090231.db2.gz VWQCEILMMOJOAO-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO COC[C@@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000234715554 386091294 /nfs/dbraw/zinc/09/12/94/386091294.db2.gz ODUIVFJRPAEBCM-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000234715554 386091301 /nfs/dbraw/zinc/09/13/01/386091301.db2.gz ODUIVFJRPAEBCM-LURJTMIESA-N 1 2 246.698 0.522 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cncc(O)c1 ZINC000111740185 386097415 /nfs/dbraw/zinc/09/74/15/386097415.db2.gz MBPKLIFJQUHWRU-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO Cn1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000274415513 386098416 /nfs/dbraw/zinc/09/84/16/386098416.db2.gz MUCZOPLFFGPSFI-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000274415513 386098421 /nfs/dbraw/zinc/09/84/21/386098421.db2.gz MUCZOPLFFGPSFI-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338963014 386189683 /nfs/dbraw/zinc/18/96/83/386189683.db2.gz OEPZFQSIMRSVGO-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO CSc1nc(NC(=O)C[NH+](C)C)n[nH]1 ZINC000340261213 386145973 /nfs/dbraw/zinc/14/59/73/386145973.db2.gz HAPPAMZYBYFHBM-UHFFFAOYSA-N 1 2 215.282 0.027 20 0 BCADLO CSc1n[nH]c(NC(=O)C[NH+](C)C)n1 ZINC000340261213 386145978 /nfs/dbraw/zinc/14/59/78/386145978.db2.gz HAPPAMZYBYFHBM-UHFFFAOYSA-N 1 2 215.282 0.027 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338963014 386189685 /nfs/dbraw/zinc/18/96/85/386189685.db2.gz OEPZFQSIMRSVGO-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO CC[C@@H](C(=O)OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000338815865 386152328 /nfs/dbraw/zinc/15/23/28/386152328.db2.gz NRKHOYLSCYKHOX-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO Cc1cncc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296261791 386156891 /nfs/dbraw/zinc/15/68/91/386156891.db2.gz PXBIQIYHWIHNJS-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296261791 386156896 /nfs/dbraw/zinc/15/68/96/386156896.db2.gz PXBIQIYHWIHNJS-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO O=C(c1cnc[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000263640718 386161092 /nfs/dbraw/zinc/16/10/92/386161092.db2.gz APRXMTDPLMHYDN-UHFFFAOYSA-N 1 2 234.303 0.578 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1CCOCC1 ZINC000263667089 386163831 /nfs/dbraw/zinc/16/38/31/386163831.db2.gz DTWYCUYZXXUOQS-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO C[N@H+](CCO)Cc1cn(Cc2cccnc2)nn1 ZINC000346141051 386165728 /nfs/dbraw/zinc/16/57/28/386165728.db2.gz NQINPNVLKFOZMU-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO C[N@@H+](CCO)Cc1cn(Cc2cccnc2)nn1 ZINC000346141051 386165736 /nfs/dbraw/zinc/16/57/36/386165736.db2.gz NQINPNVLKFOZMU-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO CC[C@H](CNS(C)(=O)=O)Nc1cccc[nH+]1 ZINC000296371752 386168345 /nfs/dbraw/zinc/16/83/45/386168345.db2.gz SRJMCNMUXWIHIK-SECBINFHSA-N 1 2 243.332 0.821 20 0 BCADLO CN(CC(C)(C)CO)c1[nH+]cnc2c1cnn2C ZINC000296403480 386170925 /nfs/dbraw/zinc/17/09/25/386170925.db2.gz VZWVGHDEJBZVTK-UHFFFAOYSA-N 1 2 249.318 0.818 20 0 BCADLO COC(=O)C1([NH2+]CC[C@@H](C)O)CCOCC1 ZINC000425493568 386177470 /nfs/dbraw/zinc/17/74/70/386177470.db2.gz PDPBDDCSJFGEMZ-SECBINFHSA-N 1 2 231.292 0.069 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288298593 386182254 /nfs/dbraw/zinc/18/22/54/386182254.db2.gz YNDFDWRFISLVKY-IUCAKERBSA-N 1 2 225.292 0.882 20 0 BCADLO CN(CCC1CC1)C(=O)[C@H]1COCC[N@@H+]1C ZINC000345843140 386124598 /nfs/dbraw/zinc/12/45/98/386124598.db2.gz PMSUIKDUBRHNHU-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CN(CCC1CC1)C(=O)[C@H]1COCC[N@H+]1C ZINC000345843140 386124603 /nfs/dbraw/zinc/12/46/03/386124603.db2.gz PMSUIKDUBRHNHU-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000643330731 386125159 /nfs/dbraw/zinc/12/51/59/386125159.db2.gz YDEBMOLCTDXFOM-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000334463037 386128439 /nfs/dbraw/zinc/12/84/39/386128439.db2.gz RBDGZBRONPYZLC-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@](C)(F)C1 ZINC000334463037 386128441 /nfs/dbraw/zinc/12/84/41/386128441.db2.gz RBDGZBRONPYZLC-VIFPVBQESA-N 1 2 238.328 0.312 20 0 BCADLO FC1(F)COCC[N@H+](C[C@H]2CCOC2)C1 ZINC000335131542 386132314 /nfs/dbraw/zinc/13/23/14/386132314.db2.gz VQVCCTPGAUPORO-SECBINFHSA-N 1 2 221.247 0.990 20 0 BCADLO FC1(F)COCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000335131542 386132316 /nfs/dbraw/zinc/13/23/16/386132316.db2.gz VQVCCTPGAUPORO-SECBINFHSA-N 1 2 221.247 0.990 20 0 BCADLO CO[C@H](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338766930 386133864 /nfs/dbraw/zinc/13/38/64/386133864.db2.gz LEFGMMSSUCFGCQ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338766927 386134911 /nfs/dbraw/zinc/13/49/11/386134911.db2.gz LEFGMMSSUCFGCQ-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000345865254 386135063 /nfs/dbraw/zinc/13/50/63/386135063.db2.gz ZLHQSPOQOHZUBK-WDEREUQCSA-N 1 2 236.319 0.722 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NCCO ZINC000287579667 386135344 /nfs/dbraw/zinc/13/53/44/386135344.db2.gz QTTLWELPTAZAFW-UHFFFAOYSA-N 1 2 209.249 0.812 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000334464653 386135824 /nfs/dbraw/zinc/13/58/24/386135824.db2.gz BTOVWXCCXHKWIH-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000334464653 386135829 /nfs/dbraw/zinc/13/58/29/386135829.db2.gz BTOVWXCCXHKWIH-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO Cc1[nH]c(C(=O)N[C@](C)(C(N)=O)C(C)C)c[nH+]1 ZINC000287710623 386142558 /nfs/dbraw/zinc/14/25/58/386142558.db2.gz FLESOJQKPKAPOT-NSHDSACASA-N 1 2 238.291 0.348 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCC(=O)N(C)C)n1 ZINC000336742511 386205457 /nfs/dbraw/zinc/20/54/57/386205457.db2.gz OGTDFBPSNIWCPD-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000336648575 386259668 /nfs/dbraw/zinc/25/96/68/386259668.db2.gz PCTCWSSTARWGCD-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000336648575 386259672 /nfs/dbraw/zinc/25/96/72/386259672.db2.gz PCTCWSSTARWGCD-SECBINFHSA-N 1 2 210.281 0.724 20 0 BCADLO CC(C)n1ncnc1C[NH2+]C1COCCOC1 ZINC000310584531 386209514 /nfs/dbraw/zinc/20/95/14/386209514.db2.gz UDIPIJGBEAYWIX-UHFFFAOYSA-N 1 2 240.307 0.364 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCO ZINC000264165842 386211861 /nfs/dbraw/zinc/21/18/61/386211861.db2.gz ZHGUQLUFHLLHBC-CYBMUJFWSA-N 1 2 249.310 0.969 20 0 BCADLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCO ZINC000264165842 386211862 /nfs/dbraw/zinc/21/18/62/386211862.db2.gz ZHGUQLUFHLLHBC-CYBMUJFWSA-N 1 2 249.310 0.969 20 0 BCADLO CC(C)CNC(=O)NCc1[nH+]ccn1C ZINC000264188624 386215250 /nfs/dbraw/zinc/21/52/50/386215250.db2.gz NQLIUEPEFXVACT-UHFFFAOYSA-N 1 2 210.281 0.875 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCO1 ZINC000264241481 386220447 /nfs/dbraw/zinc/22/04/47/386220447.db2.gz ZEWSPPYAUPKTMB-VIFPVBQESA-N 1 2 238.291 0.398 20 0 BCADLO c1[nH]nnc1CN1CC[NH+](C2CC2)CC1 ZINC000340291227 386222822 /nfs/dbraw/zinc/22/28/22/386222822.db2.gz XIUJRHSDFDGLOH-UHFFFAOYSA-N 1 2 207.281 0.085 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000347033087 386223259 /nfs/dbraw/zinc/22/32/59/386223259.db2.gz FHLIDSMTJUKOCL-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCCN(CC)C(=O)C1 ZINC000347033087 386223261 /nfs/dbraw/zinc/22/32/61/386223261.db2.gz FHLIDSMTJUKOCL-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000347033092 386223754 /nfs/dbraw/zinc/22/37/54/386223754.db2.gz FHLIDSMTJUKOCL-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCCN(CC)C(=O)C1 ZINC000347033092 386223757 /nfs/dbraw/zinc/22/37/57/386223757.db2.gz FHLIDSMTJUKOCL-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000264317216 386226102 /nfs/dbraw/zinc/22/61/02/386226102.db2.gz PHWIBXHJHXNXMO-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)CC(C)(C)O)c[nH+]1 ZINC000297129826 386226779 /nfs/dbraw/zinc/22/67/79/386226779.db2.gz HOCXPECBQUHVOE-SSDOTTSWSA-N 1 2 225.292 0.997 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000414381333 386227256 /nfs/dbraw/zinc/22/72/56/386227256.db2.gz LJSWDZUKEGHSIN-NSHDSACASA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000414381333 386227258 /nfs/dbraw/zinc/22/72/58/386227258.db2.gz LJSWDZUKEGHSIN-NSHDSACASA-N 1 2 239.271 0.962 20 0 BCADLO CC(C)(O)C(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000225918037 386228499 /nfs/dbraw/zinc/22/84/99/386228499.db2.gz WCCSFEGHQVIJKL-UHFFFAOYSA-N 1 2 239.319 0.939 20 0 BCADLO CCc1ccc(C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC000339058982 386230218 /nfs/dbraw/zinc/23/02/18/386230218.db2.gz LRKRTHGOZPXCBI-LBPRGKRZSA-N 1 2 233.315 0.964 20 0 BCADLO CCc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)nc1 ZINC000339058982 386230223 /nfs/dbraw/zinc/23/02/23/386230223.db2.gz LRKRTHGOZPXCBI-LBPRGKRZSA-N 1 2 233.315 0.964 20 0 BCADLO COC(=O)C[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000367805091 386232248 /nfs/dbraw/zinc/23/22/48/386232248.db2.gz MGOXELZPBNDMCW-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000367805091 386232256 /nfs/dbraw/zinc/23/22/56/386232256.db2.gz MGOXELZPBNDMCW-JTQLQIEISA-N 1 2 239.275 0.174 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCC[C@@H](OC)C2)C1=O ZINC000647969843 386242372 /nfs/dbraw/zinc/24/23/72/386242372.db2.gz UXNZRDMSBUUZOV-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCC[C@@H](OC)C2)C1=O ZINC000647969843 386242374 /nfs/dbraw/zinc/24/23/74/386242374.db2.gz UXNZRDMSBUUZOV-NXEZZACHSA-N 1 2 228.292 0.260 20 0 BCADLO COC[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000339094391 386242836 /nfs/dbraw/zinc/24/28/36/386242836.db2.gz RROMZVIJOVHWGE-JTQLQIEISA-N 1 2 239.319 0.751 20 0 BCADLO C[C@@H](C(=O)NC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000647932633 386246413 /nfs/dbraw/zinc/24/64/13/386246413.db2.gz KFPHTJFKKJNTEU-QMMMGPOBSA-N 1 2 234.303 0.435 20 0 BCADLO CCS(=O)(=O)CC(=O)Nc1cc[nH+]cc1C ZINC000264551969 386246771 /nfs/dbraw/zinc/24/67/71/386246771.db2.gz SALGCROVBCFJOH-UHFFFAOYSA-N 1 2 242.300 0.763 20 0 BCADLO CSCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000336642869 386249086 /nfs/dbraw/zinc/24/90/86/386249086.db2.gz COAVHVFRGFEEPG-UHFFFAOYSA-N 1 2 200.311 0.908 20 0 BCADLO CSCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000336642869 386249087 /nfs/dbraw/zinc/24/90/87/386249087.db2.gz COAVHVFRGFEEPG-UHFFFAOYSA-N 1 2 200.311 0.908 20 0 BCADLO CSCC[N@H+](C)Cc1nnnn1C ZINC000336642970 386249170 /nfs/dbraw/zinc/24/91/70/386249170.db2.gz DMCSTGMRDVMHOC-UHFFFAOYSA-N 1 2 201.299 0.005 20 0 BCADLO CSCC[N@@H+](C)Cc1nnnn1C ZINC000336642970 386249175 /nfs/dbraw/zinc/24/91/75/386249175.db2.gz DMCSTGMRDVMHOC-UHFFFAOYSA-N 1 2 201.299 0.005 20 0 BCADLO C[C@H]1C[N@H+](CCOC2CCC2)CC(=O)N1C ZINC000347189116 386255699 /nfs/dbraw/zinc/25/56/99/386255699.db2.gz QVMQAYDANMWXEY-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[N@@H+](CCOC2CCC2)CC(=O)N1C ZINC000347189116 386255703 /nfs/dbraw/zinc/25/57/03/386255703.db2.gz QVMQAYDANMWXEY-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@](C)(O)C1CC1 ZINC000288381712 386192584 /nfs/dbraw/zinc/19/25/84/386192584.db2.gz PHJNGDZSDWXWBW-LBPRGKRZSA-N 1 2 237.303 0.540 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)c1cn(C)nn1 ZINC000288428145 386198055 /nfs/dbraw/zinc/19/80/55/386198055.db2.gz DCAQXAYAWSRYHQ-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCCC1)[C@H](C)O ZINC000191017387 386198387 /nfs/dbraw/zinc/19/83/87/386198387.db2.gz RZYFILYODBHBQE-IONNQARKSA-N 1 2 201.266 0.441 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCSCC1)[C@H](C)O ZINC000191024054 386199836 /nfs/dbraw/zinc/19/98/36/386199836.db2.gz UUMWTEQIVXUKKI-CBAPKCEASA-N 1 2 233.333 0.394 20 0 BCADLO CCC[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)CCO1 ZINC000131250727 386199934 /nfs/dbraw/zinc/19/99/34/386199934.db2.gz LBSXOGVXGIAZNV-ZJUUUORDSA-N 1 2 214.309 0.751 20 0 BCADLO CCC[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)CCO1 ZINC000131250727 386199937 /nfs/dbraw/zinc/19/99/37/386199937.db2.gz LBSXOGVXGIAZNV-ZJUUUORDSA-N 1 2 214.309 0.751 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)cnn1C ZINC000289298320 386281211 /nfs/dbraw/zinc/28/12/11/386281211.db2.gz HZEQJALDPOVHPM-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)cnn1C ZINC000289298320 386281215 /nfs/dbraw/zinc/28/12/15/386281215.db2.gz HZEQJALDPOVHPM-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO COC[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264880972 386281481 /nfs/dbraw/zinc/28/14/81/386281481.db2.gz SVPXVBTWJMBCRE-SSDOTTSWSA-N 1 2 211.265 0.730 20 0 BCADLO C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000339187544 386282055 /nfs/dbraw/zinc/28/20/55/386282055.db2.gz DRMYIZVTYUGESD-AAEUAGOBSA-N 1 2 248.326 0.758 20 0 BCADLO C[C@H](O)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000339187544 386282063 /nfs/dbraw/zinc/28/20/63/386282063.db2.gz DRMYIZVTYUGESD-AAEUAGOBSA-N 1 2 248.326 0.758 20 0 BCADLO CC[C@](C)(C(=O)OC)[N@@H+](CC(N)=O)CC1CC1 ZINC000425506453 386285135 /nfs/dbraw/zinc/28/51/35/386285135.db2.gz COUORADJAYQWBR-GFCCVEGCSA-N 1 2 242.319 0.525 20 0 BCADLO CC[C@](C)(C(=O)OC)[N@H+](CC(N)=O)CC1CC1 ZINC000425506453 386285140 /nfs/dbraw/zinc/28/51/40/386285140.db2.gz COUORADJAYQWBR-GFCCVEGCSA-N 1 2 242.319 0.525 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425514613 386290004 /nfs/dbraw/zinc/29/00/04/386290004.db2.gz QRAHSNVKMZHFIK-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425514613 386290012 /nfs/dbraw/zinc/29/00/12/386290012.db2.gz QRAHSNVKMZHFIK-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](O)COC(C)C)C1 ZINC000425523728 386324539 /nfs/dbraw/zinc/32/45/39/386324539.db2.gz ZSSMYQCPOKDVEO-LLVKDONJSA-N 1 2 244.335 0.284 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000425523728 386324544 /nfs/dbraw/zinc/32/45/44/386324544.db2.gz ZSSMYQCPOKDVEO-LLVKDONJSA-N 1 2 244.335 0.284 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000289362023 386291034 /nfs/dbraw/zinc/29/10/34/386291034.db2.gz AISKGGQJUVKNPB-VIFPVBQESA-N 1 2 240.303 0.727 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000289362023 386291036 /nfs/dbraw/zinc/29/10/36/386291036.db2.gz AISKGGQJUVKNPB-VIFPVBQESA-N 1 2 240.303 0.727 20 0 BCADLO Cn1ncc(C[N@H+](C)CCc2nccs2)n1 ZINC000289384590 386293068 /nfs/dbraw/zinc/29/30/68/386293068.db2.gz QCKQJGNINVGXDL-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCc2nccs2)n1 ZINC000289384590 386293073 /nfs/dbraw/zinc/29/30/73/386293073.db2.gz QCKQJGNINVGXDL-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000276293431 386297192 /nfs/dbraw/zinc/29/71/92/386297192.db2.gz PDQNAVCMOOZYTP-NKWVEPMBSA-N 1 2 211.265 0.871 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000336661334 386298943 /nfs/dbraw/zinc/29/89/43/386298943.db2.gz HBASMKFWZYPHNZ-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000336661334 386298949 /nfs/dbraw/zinc/29/89/49/386298949.db2.gz HBASMKFWZYPHNZ-KOLCDFICSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](Nc1cccc[nH+]1)C(=O)N1CCOCC1 ZINC000091477243 386308393 /nfs/dbraw/zinc/30/83/93/386308393.db2.gz CZKTZPYEZARBDT-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO CC[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000336674353 386309010 /nfs/dbraw/zinc/30/90/10/386309010.db2.gz LRTRQSFJFYSKKJ-NEPJUHHUSA-N 1 2 228.336 0.164 20 0 BCADLO Cc1ccn2cc(CNC(=O)[C@H](C)O)[nH+]c2c1 ZINC000276361680 386309987 /nfs/dbraw/zinc/30/99/87/386309987.db2.gz VYTDCCIBRBHNTA-VIFPVBQESA-N 1 2 233.271 0.640 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnccc1C ZINC000276369322 386311425 /nfs/dbraw/zinc/31/14/25/386311425.db2.gz CKRISUUVXTWRHY-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnccc1C ZINC000276369322 386311431 /nfs/dbraw/zinc/31/14/31/386311431.db2.gz CKRISUUVXTWRHY-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CSCCC[N@H+](C)Cc1nnnn1C ZINC000336670613 386315203 /nfs/dbraw/zinc/31/52/03/386315203.db2.gz IAKSSRHFQJRUIL-UHFFFAOYSA-N 1 2 215.326 0.395 20 0 BCADLO CSCCC[N@@H+](C)Cc1nnnn1C ZINC000336670613 386315206 /nfs/dbraw/zinc/31/52/06/386315206.db2.gz IAKSSRHFQJRUIL-UHFFFAOYSA-N 1 2 215.326 0.395 20 0 BCADLO CC(C)COCC[N@@H+]1CCNC(=O)C1 ZINC000336680075 386321228 /nfs/dbraw/zinc/32/12/28/386321228.db2.gz GCJYDZHUJLPYOM-UHFFFAOYSA-N 1 2 200.282 0.091 20 0 BCADLO CC(C)COCC[N@H+]1CCNC(=O)C1 ZINC000336680075 386321233 /nfs/dbraw/zinc/32/12/33/386321233.db2.gz GCJYDZHUJLPYOM-UHFFFAOYSA-N 1 2 200.282 0.091 20 0 BCADLO CCc1nc(N2CN(C)C(=O)[C@H]2C)cc(C)[nH+]1 ZINC000645394360 386262635 /nfs/dbraw/zinc/26/26/35/386262635.db2.gz DFZASNOYYARSDV-SECBINFHSA-N 1 2 234.303 0.972 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnc(C)n2C)C1 ZINC000336649936 386262901 /nfs/dbraw/zinc/26/29/01/386262901.db2.gz RYGYQOSULLNMDO-VIFPVBQESA-N 1 2 210.281 0.344 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000336649936 386262903 /nfs/dbraw/zinc/26/29/03/386262903.db2.gz RYGYQOSULLNMDO-VIFPVBQESA-N 1 2 210.281 0.344 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000347160953 386263936 /nfs/dbraw/zinc/26/39/36/386263936.db2.gz IOXNGKQHMJGEKI-WDEREUQCSA-N 1 2 238.287 0.282 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000347160953 386263940 /nfs/dbraw/zinc/26/39/40/386263940.db2.gz IOXNGKQHMJGEKI-WDEREUQCSA-N 1 2 238.287 0.282 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000347160952 386264374 /nfs/dbraw/zinc/26/43/74/386264374.db2.gz IOXNGKQHMJGEKI-QWRGUYRKSA-N 1 2 238.287 0.282 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000347160952 386264381 /nfs/dbraw/zinc/26/43/81/386264381.db2.gz IOXNGKQHMJGEKI-QWRGUYRKSA-N 1 2 238.287 0.282 20 0 BCADLO COC(=O)C1([NH2+]C[C@H](O)CSC)CCCC1 ZINC000188149706 386264720 /nfs/dbraw/zinc/26/47/20/386264720.db2.gz YNBVSWUDXWMRJM-VIFPVBQESA-N 1 2 247.360 0.786 20 0 BCADLO CC(=O)NC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000276050006 386265513 /nfs/dbraw/zinc/26/55/13/386265513.db2.gz HGKVIZQKHKGJTF-UHFFFAOYSA-N 1 2 232.287 0.679 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000289136523 386265721 /nfs/dbraw/zinc/26/57/21/386265721.db2.gz PALGDZADASYESN-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000289136523 386265725 /nfs/dbraw/zinc/26/57/25/386265725.db2.gz PALGDZADASYESN-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)nc1 ZINC000353591658 386267774 /nfs/dbraw/zinc/26/77/74/386267774.db2.gz LQLLLBOWAWBSFJ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)nc1 ZINC000353591658 386267779 /nfs/dbraw/zinc/26/77/79/386267779.db2.gz LQLLLBOWAWBSFJ-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO CCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347287155 386323854 /nfs/dbraw/zinc/32/38/54/386323854.db2.gz KJPPBZPSSSLONJ-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO Cc1ncc(C(=O)N2CC[NH+](C(C)C)CC2)[nH]1 ZINC000264753486 386267864 /nfs/dbraw/zinc/26/78/64/386267864.db2.gz STDNYISULLSCGR-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO Cc1ccnc(C[NH+]2CCC(O)CC2)n1 ZINC000336653908 386272841 /nfs/dbraw/zinc/27/28/41/386272841.db2.gz ZGOORKHSHGNHIM-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000289210876 386273090 /nfs/dbraw/zinc/27/30/90/386273090.db2.gz WMSGINRTOZORCA-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO Cc1cnn(C)c1C[N@H+](C)CC(=O)NC(C)C ZINC000289210876 386273094 /nfs/dbraw/zinc/27/30/94/386273094.db2.gz WMSGINRTOZORCA-UHFFFAOYSA-N 1 2 238.335 0.685 20 0 BCADLO C(C[N@@H+]1CCc2nn[nH]c2C1)OC1CCC1 ZINC000347233113 386273474 /nfs/dbraw/zinc/27/34/74/386273474.db2.gz QDWRYHTVWNLDHN-UHFFFAOYSA-N 1 2 222.292 0.732 20 0 BCADLO C(C[N@H+]1CCc2nn[nH]c2C1)OC1CCC1 ZINC000347233113 386273479 /nfs/dbraw/zinc/27/34/79/386273479.db2.gz QDWRYHTVWNLDHN-UHFFFAOYSA-N 1 2 222.292 0.732 20 0 BCADLO CO[C@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000276096993 386273903 /nfs/dbraw/zinc/27/39/03/386273903.db2.gz XCISTBFLCJQSOG-MRVPVSSYSA-N 1 2 248.290 0.691 20 0 BCADLO Cc1n[nH]cc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264846879 386274338 /nfs/dbraw/zinc/27/43/38/386274338.db2.gz MGKOOFVHBDFVND-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO COC(OC)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000289221595 386274618 /nfs/dbraw/zinc/27/46/18/386274618.db2.gz ZGRAXAPJLSDTFI-LURJTMIESA-N 1 2 227.264 0.455 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cnn1 ZINC000276123173 386275714 /nfs/dbraw/zinc/27/57/14/386275714.db2.gz XHSWVMVGENMOOJ-SNVBAGLBSA-N 1 2 245.286 0.800 20 0 BCADLO COc1nc(C)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000347250397 386277716 /nfs/dbraw/zinc/27/77/16/386277716.db2.gz DYEMEWONPUBGSM-UHFFFAOYSA-N 1 2 249.314 0.786 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCOCC(C)C ZINC000336661836 386279323 /nfs/dbraw/zinc/27/93/23/386279323.db2.gz AISXRQKHGGMBLW-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOCC(C)C ZINC000336661836 386279328 /nfs/dbraw/zinc/27/93/28/386279328.db2.gz AISXRQKHGGMBLW-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289676431 386340027 /nfs/dbraw/zinc/34/00/27/386340027.db2.gz ASCFIIRFAFNPAC-GHMZBOCLSA-N 1 2 237.303 1.000 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289676431 386340032 /nfs/dbraw/zinc/34/00/32/386340032.db2.gz ASCFIIRFAFNPAC-GHMZBOCLSA-N 1 2 237.303 1.000 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)C1 ZINC000276531153 386340525 /nfs/dbraw/zinc/34/05/25/386340525.db2.gz DULIBFKHOIYMTB-FSIBCCDJSA-N 1 2 221.260 0.406 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276534869 386341019 /nfs/dbraw/zinc/34/10/19/386341019.db2.gz FKRSLLGTXOYXSP-FSIBCCDJSA-N 1 2 223.276 0.556 20 0 BCADLO CC[N@H+](CCOC)[C@H](C)c1nnnn1C ZINC000347347968 386343471 /nfs/dbraw/zinc/34/34/71/386343471.db2.gz SVRRLLSCQIWXPG-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO CC[N@@H+](CCOC)[C@H](C)c1nnnn1C ZINC000347347968 386343474 /nfs/dbraw/zinc/34/34/74/386343474.db2.gz SVRRLLSCQIWXPG-MRVPVSSYSA-N 1 2 213.285 0.239 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000289697791 386344197 /nfs/dbraw/zinc/34/41/97/386344197.db2.gz BQHPDDGUTQFHHZ-GHMZBOCLSA-N 1 2 235.287 0.754 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000289697791 386344203 /nfs/dbraw/zinc/34/42/03/386344203.db2.gz BQHPDDGUTQFHHZ-GHMZBOCLSA-N 1 2 235.287 0.754 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CO ZINC000276565225 386344837 /nfs/dbraw/zinc/34/48/37/386344837.db2.gz JORRRAMSDJBKIO-HMDXOVGESA-N 1 2 221.260 0.406 20 0 BCADLO CCc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000298453148 386346766 /nfs/dbraw/zinc/34/67/66/386346766.db2.gz KNTHWEMQWPLBCZ-SECBINFHSA-N 1 2 247.302 0.987 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCC(C)(C)C2)nc1=O ZINC000334491945 386351699 /nfs/dbraw/zinc/35/16/99/386351699.db2.gz UMCLHGAFBULYSF-UHFFFAOYSA-N 1 2 224.308 0.730 20 0 BCADLO CCONC(=O)NCCCn1cc[nH+]c1 ZINC000298507625 386354441 /nfs/dbraw/zinc/35/44/41/386354441.db2.gz BHSIHTFXUNJCCD-UHFFFAOYSA-N 1 2 212.253 0.524 20 0 BCADLO CC(=O)N(C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000237108137 386356258 /nfs/dbraw/zinc/35/62/58/386356258.db2.gz GXGGMEUPVWINEJ-UHFFFAOYSA-N 1 2 222.248 0.081 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCCCCO)CCOC1 ZINC000336774613 386357117 /nfs/dbraw/zinc/35/71/17/386357117.db2.gz WZMRBPBKLZDFOF-LLVKDONJSA-N 1 2 231.292 0.071 20 0 BCADLO O=[S@]1CC[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000334447525 386359992 /nfs/dbraw/zinc/35/99/92/386359992.db2.gz QHFROWQNHUTYLX-BCTVWOGZSA-N 1 2 235.312 0.918 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCn1cccn1 ZINC000276670506 386362092 /nfs/dbraw/zinc/36/20/92/386362092.db2.gz ZFVWJMZXYMUFEG-ONEGZZNKSA-N 1 2 245.286 0.826 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000298655473 386365044 /nfs/dbraw/zinc/36/50/44/386365044.db2.gz APDVELCOPOVORW-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](CNC(=O)c1ccon1)Cn1cc[nH+]c1 ZINC000265750748 386365628 /nfs/dbraw/zinc/36/56/28/386365628.db2.gz JHVBWOPEFIQEJF-SECBINFHSA-N 1 2 234.259 0.937 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1CCN1CCCC1=O ZINC000336700005 386387203 /nfs/dbraw/zinc/38/72/03/386387203.db2.gz KBEHHIRMMAYESW-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCOCC(F)F ZINC000276729753 386370087 /nfs/dbraw/zinc/37/00/87/386370087.db2.gz XPDDVXKIYHQRQM-UHFFFAOYSA-N 1 2 247.245 0.671 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347383158 386377592 /nfs/dbraw/zinc/37/75/92/386377592.db2.gz OCJFYXQBJZRDSA-LLVKDONJSA-N 1 2 232.299 0.573 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347383158 386377597 /nfs/dbraw/zinc/37/75/97/386377597.db2.gz OCJFYXQBJZRDSA-LLVKDONJSA-N 1 2 232.299 0.573 20 0 BCADLO COC(=O)CCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347394495 386382103 /nfs/dbraw/zinc/38/21/03/386382103.db2.gz VXEMDEFEKPAKAG-NSHDSACASA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347394495 386382106 /nfs/dbraw/zinc/38/21/06/386382106.db2.gz VXEMDEFEKPAKAG-NSHDSACASA-N 1 2 246.282 0.100 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCn3cnnc3C2)n1 ZINC000336699308 386384560 /nfs/dbraw/zinc/38/45/60/386384560.db2.gz GTHZPZJGZAQEHU-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCn3cnnc3C2)n1 ZINC000336699308 386384566 /nfs/dbraw/zinc/38/45/66/386384566.db2.gz GTHZPZJGZAQEHU-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000339363592 386385524 /nfs/dbraw/zinc/38/55/24/386385524.db2.gz TZZKTRLGSHIWDB-SNVBAGLBSA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000339363592 386385527 /nfs/dbraw/zinc/38/55/27/386385527.db2.gz TZZKTRLGSHIWDB-SNVBAGLBSA-N 1 2 241.266 0.153 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000289556475 386325772 /nfs/dbraw/zinc/32/57/72/386325772.db2.gz RLXQUUDZQDFRKI-ZDUSSCGKSA-N 1 2 249.314 0.858 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000289556475 386325775 /nfs/dbraw/zinc/32/57/75/386325775.db2.gz RLXQUUDZQDFRKI-ZDUSSCGKSA-N 1 2 249.314 0.858 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000092175677 386327149 /nfs/dbraw/zinc/32/71/49/386327149.db2.gz KHGVXVSIBQCRDG-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc(OC)n1 ZINC000276459489 386327875 /nfs/dbraw/zinc/32/78/75/386327875.db2.gz WDSQVVMTANUCIH-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc(OC)n1 ZINC000276459489 386327880 /nfs/dbraw/zinc/32/78/80/386327880.db2.gz WDSQVVMTANUCIH-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1nc[nH+]c(N)c1Cl ZINC000645396259 386328533 /nfs/dbraw/zinc/32/85/33/386328533.db2.gz XGFOMTIXHIKOSV-YFKPBYRVSA-N 1 2 241.682 0.337 20 0 BCADLO C[C@]1(F)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000347333068 386330868 /nfs/dbraw/zinc/33/08/68/386330868.db2.gz AMCLGYYYGPUVDL-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO C[C@]1(F)CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000347333068 386330870 /nfs/dbraw/zinc/33/08/70/386330870.db2.gz AMCLGYYYGPUVDL-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO C[N@H+](Cc1ccns1)[C@H]1CCCNC1=O ZINC000639088409 386386057 /nfs/dbraw/zinc/38/60/57/386386057.db2.gz GHQVSZSSOIYFTK-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CCO[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000298380354 386333107 /nfs/dbraw/zinc/33/31/07/386333107.db2.gz BXRLFZJYSMHGEB-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347337298 386333651 /nfs/dbraw/zinc/33/36/51/386333651.db2.gz AUAFHPMKJNHCRG-JQWIXIFHSA-N 1 2 245.294 0.734 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347337298 386333657 /nfs/dbraw/zinc/33/36/57/386333657.db2.gz AUAFHPMKJNHCRG-JQWIXIFHSA-N 1 2 245.294 0.734 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@H]1CCCNC1=O ZINC000639088409 386386064 /nfs/dbraw/zinc/38/60/64/386386064.db2.gz GHQVSZSSOIYFTK-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO CC[N@H+](CCOCCO)Cc1nccc(C)n1 ZINC000336681307 386336917 /nfs/dbraw/zinc/33/69/17/386336917.db2.gz BOYSILCSZXGFQN-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1nccc(C)n1 ZINC000336681307 386336923 /nfs/dbraw/zinc/33/69/23/386336923.db2.gz BOYSILCSZXGFQN-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO Cn1cccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000266480913 386439126 /nfs/dbraw/zinc/43/91/26/386439126.db2.gz TUGXHRDKIQLENB-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO CO[C@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339467417 386441780 /nfs/dbraw/zinc/44/17/80/386441780.db2.gz JGCBUPDDUXHWQT-NXEZZACHSA-N 1 2 237.303 0.771 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000290492402 386441864 /nfs/dbraw/zinc/44/18/64/386441864.db2.gz RUXRZUUEWPKICA-NSHDSACASA-N 1 2 239.319 0.691 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000290492402 386441869 /nfs/dbraw/zinc/44/18/69/386441869.db2.gz RUXRZUUEWPKICA-NSHDSACASA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccon1 ZINC000299396433 386450172 /nfs/dbraw/zinc/45/01/72/386450172.db2.gz BXKDJVURGUFPSL-SECBINFHSA-N 1 2 239.275 0.125 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)on1 ZINC000191773966 386450684 /nfs/dbraw/zinc/45/06/84/386450684.db2.gz QZACPEKCORZTIC-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)on1 ZINC000191773966 386450693 /nfs/dbraw/zinc/45/06/93/386450693.db2.gz QZACPEKCORZTIC-KOLCDFICSA-N 1 2 226.276 0.565 20 0 BCADLO CC(C)c1nc(N2CCO[C@@H](CO)C2)cc[nH+]1 ZINC000408366455 386397354 /nfs/dbraw/zinc/39/73/54/386397354.db2.gz OKPRNZDHOJOWLF-SNVBAGLBSA-N 1 2 237.303 0.798 20 0 BCADLO CC(C)OCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000347432280 386401306 /nfs/dbraw/zinc/40/13/06/386401306.db2.gz FRBSKKGFVVSFLK-IINYFYTJSA-N 1 2 219.350 0.864 20 0 BCADLO CC(C)OCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000347432280 386401311 /nfs/dbraw/zinc/40/13/11/386401311.db2.gz FRBSKKGFVVSFLK-IINYFYTJSA-N 1 2 219.350 0.864 20 0 BCADLO Cc1n[nH]c(C)c1C[NH+]1CCN(CCO)CC1 ZINC000299082855 386409513 /nfs/dbraw/zinc/40/95/13/386409513.db2.gz WKVWTCVEIMWUKN-UHFFFAOYSA-N 1 2 238.335 0.136 20 0 BCADLO C[C@@H](CO)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299130371 386418529 /nfs/dbraw/zinc/41/85/29/386418529.db2.gz ZVTUXMIWSROWBH-NXEZZACHSA-N 1 2 240.307 0.199 20 0 BCADLO CC(C)N1CC[C@@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000647933909 386419984 /nfs/dbraw/zinc/41/99/84/386419984.db2.gz NGTUSVVAGUWMLP-GFCCVEGCSA-N 1 2 248.330 0.777 20 0 BCADLO C[C@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290347844 386421663 /nfs/dbraw/zinc/42/16/63/386421663.db2.gz PVFDUYFXODGHLX-ONGXEEELSA-N 1 2 232.287 0.865 20 0 BCADLO Cc1cnc(C[NH+]2CCC(CO)CC2)nc1 ZINC000336709928 386423412 /nfs/dbraw/zinc/42/34/12/386423412.db2.gz YBQSWROQIGIKTG-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO O=C1N[C@@H](C2CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000277292888 386424623 /nfs/dbraw/zinc/42/46/23/386424623.db2.gz JJFOHAMMTOVTGK-VIFPVBQESA-N 1 2 234.259 0.214 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347514710 386428175 /nfs/dbraw/zinc/42/81/75/386428175.db2.gz OAORTYQQADUCRU-DTWKUNHWSA-N 1 2 223.276 0.793 20 0 BCADLO CC(=O)N(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000299246465 386428717 /nfs/dbraw/zinc/42/87/17/386428717.db2.gz RNRXGUSUNKUFMQ-UHFFFAOYSA-N 1 2 221.260 0.807 20 0 BCADLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1CC(N)=O ZINC000332025803 386433612 /nfs/dbraw/zinc/43/36/12/386433612.db2.gz RIAHBZLJVWRQBK-VIFPVBQESA-N 1 2 227.308 0.758 20 0 BCADLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1CC(N)=O ZINC000332025803 386433617 /nfs/dbraw/zinc/43/36/17/386433617.db2.gz RIAHBZLJVWRQBK-VIFPVBQESA-N 1 2 227.308 0.758 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(N)c1 ZINC000299271882 386434465 /nfs/dbraw/zinc/43/44/65/386434465.db2.gz MECKEWWRLSCRQM-LBPRGKRZSA-N 1 2 248.330 0.620 20 0 BCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(N)c1 ZINC000299271882 386434467 /nfs/dbraw/zinc/43/44/67/386434467.db2.gz MECKEWWRLSCRQM-LBPRGKRZSA-N 1 2 248.330 0.620 20 0 BCADLO C[C@@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290771140 386473878 /nfs/dbraw/zinc/47/38/78/386473878.db2.gz SHMPLHLRXGBQFL-MRVPVSSYSA-N 1 2 234.259 0.837 20 0 BCADLO Cn1ncc(CSCCn2cc[nH+]c2)n1 ZINC000290807726 386478783 /nfs/dbraw/zinc/47/87/83/386478783.db2.gz QTMGPTMRSWUEIJ-UHFFFAOYSA-N 1 2 223.305 0.945 20 0 BCADLO Cn1cc(N2CC[NH+](Cc3ccno3)CC2)cn1 ZINC000266914490 386480354 /nfs/dbraw/zinc/48/03/54/386480354.db2.gz FIRXDTDZIDSULK-UHFFFAOYSA-N 1 2 247.302 0.730 20 0 BCADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000068940133 386486252 /nfs/dbraw/zinc/48/62/52/386486252.db2.gz RUWIYZZSWOIWHP-MRVPVSSYSA-N 1 2 246.357 0.810 20 0 BCADLO CCc1noc([C@@H](C)[N@H+](C)CCNC(C)=O)n1 ZINC000519551632 386486898 /nfs/dbraw/zinc/48/68/98/386486898.db2.gz YCGLHZLIMUYRLT-MRVPVSSYSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+](C)CCNC(C)=O)n1 ZINC000519551632 386486903 /nfs/dbraw/zinc/48/69/03/386486903.db2.gz YCGLHZLIMUYRLT-MRVPVSSYSA-N 1 2 240.307 0.761 20 0 BCADLO O=C(c1cscn1)N1CCn2c[nH+]cc2C1 ZINC000290905081 386486911 /nfs/dbraw/zinc/48/69/11/386486911.db2.gz IBPBSZHYFHWFMI-UHFFFAOYSA-N 1 2 234.284 0.996 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)[C@H]1C ZINC000339584155 386487922 /nfs/dbraw/zinc/48/79/22/386487922.db2.gz XXKIPAKRZHDXKB-SFYZADRCSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)[C@H]1C ZINC000339584155 386487929 /nfs/dbraw/zinc/48/79/29/386487929.db2.gz XXKIPAKRZHDXKB-SFYZADRCSA-N 1 2 207.281 0.848 20 0 BCADLO CO[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290938142 386488346 /nfs/dbraw/zinc/48/83/46/386488346.db2.gz OALWFPFERMPOFR-LLVKDONJSA-N 1 2 235.287 0.650 20 0 BCADLO CC(C)N1CC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000191099212 386491247 /nfs/dbraw/zinc/49/12/47/386491247.db2.gz CKVWZQATZMBQQI-SNVBAGLBSA-N 1 2 223.276 0.774 20 0 BCADLO Cc1n[nH]cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290952721 386491465 /nfs/dbraw/zinc/49/14/65/386491465.db2.gz QEKCRUSDRALYJG-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2csnn2)C1 ZINC000278164497 386493977 /nfs/dbraw/zinc/49/39/77/386493977.db2.gz ORWIADGUEQLYJC-UHFFFAOYSA-N 1 2 226.305 0.361 20 0 BCADLO O=C(COCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000290977779 386494452 /nfs/dbraw/zinc/49/44/52/386494452.db2.gz UZWWYMPASVLPEV-UHFFFAOYSA-N 1 2 235.287 0.652 20 0 BCADLO COCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000519573592 386495622 /nfs/dbraw/zinc/49/56/22/386495622.db2.gz SQSVVCJCFRAUJJ-UHFFFAOYSA-N 1 2 237.307 0.837 20 0 BCADLO COCC1(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000519573592 386495626 /nfs/dbraw/zinc/49/56/26/386495626.db2.gz SQSVVCJCFRAUJJ-UHFFFAOYSA-N 1 2 237.307 0.837 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267167266 386504871 /nfs/dbraw/zinc/50/48/71/386504871.db2.gz HFCQYSZEXMXTLN-SCZZXKLOSA-N 1 2 223.276 0.759 20 0 BCADLO COCC[C@H]1COCCN1Cc1[nH+]ccn1C ZINC000291044093 386505432 /nfs/dbraw/zinc/50/54/32/386505432.db2.gz HATSDMNAIHCERD-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO Nc1cc(C[N@@H+]2CCn3ccnc3C2)ccn1 ZINC000062321158 386505977 /nfs/dbraw/zinc/50/59/77/386505977.db2.gz CHCRKCJDUJRLJJ-UHFFFAOYSA-N 1 2 229.287 0.876 20 0 BCADLO Nc1cc(C[N@H+]2CCn3ccnc3C2)ccn1 ZINC000062321158 386505987 /nfs/dbraw/zinc/50/59/87/386505987.db2.gz CHCRKCJDUJRLJJ-UHFFFAOYSA-N 1 2 229.287 0.876 20 0 BCADLO O=S(=O)(CCCF)N1CCn2cc[nH+]c2C1 ZINC000408371373 386506504 /nfs/dbraw/zinc/50/65/04/386506504.db2.gz WXYWDEOEDXCBRM-UHFFFAOYSA-N 1 2 247.295 0.388 20 0 BCADLO COC[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267207855 386508844 /nfs/dbraw/zinc/50/88/44/386508844.db2.gz MHLQBDXPRBQJHJ-ZETCQYMHSA-N 1 2 211.265 0.617 20 0 BCADLO CC[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267207235 386509517 /nfs/dbraw/zinc/50/95/17/386509517.db2.gz RJOYHUDAJGATNB-JTQLQIEISA-N 1 2 211.265 0.609 20 0 BCADLO CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000278325582 386511882 /nfs/dbraw/zinc/51/18/82/386511882.db2.gz CUSUUSARVIHYMX-UHFFFAOYSA-N 1 2 204.224 0.995 20 0 BCADLO CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278325582 386511888 /nfs/dbraw/zinc/51/18/88/386511888.db2.gz CUSUUSARVIHYMX-UHFFFAOYSA-N 1 2 204.224 0.995 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343229186 386513891 /nfs/dbraw/zinc/51/38/91/386513891.db2.gz XDGYEHKDOYMDIF-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513902 /nfs/dbraw/zinc/51/39/02/386513902.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 1 2 208.309 0.887 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CCC1)N1CCC1 ZINC000335447181 386514822 /nfs/dbraw/zinc/51/48/22/386514822.db2.gz NEHHINDVCOIYBN-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CCC1)N1CCC1 ZINC000335447181 386514827 /nfs/dbraw/zinc/51/48/27/386514827.db2.gz NEHHINDVCOIYBN-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514869 /nfs/dbraw/zinc/51/48/69/386514869.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 1 2 208.309 0.887 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)n1 ZINC000336733286 386515007 /nfs/dbraw/zinc/51/50/07/386515007.db2.gz GNUJAEXOXFDQHG-BQBZGAKWSA-N 1 2 226.280 0.505 20 0 BCADLO C[C@H](CCO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278381473 386516253 /nfs/dbraw/zinc/51/62/53/386516253.db2.gz LPFLUZAIQHXRIL-ZCFIWIBFSA-N 1 2 236.279 0.128 20 0 BCADLO CCOCC(=O)N(C)Cc1[nH+]ccn1C ZINC000061512784 386516447 /nfs/dbraw/zinc/51/64/47/386516447.db2.gz NREZJBYKAYJMHX-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)N(C)C ZINC000187304514 386517786 /nfs/dbraw/zinc/51/77/86/386517786.db2.gz ZIFFDDMHDHDEBI-GFCCVEGCSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)N(C)C ZINC000187304514 386517789 /nfs/dbraw/zinc/51/77/89/386517789.db2.gz ZIFFDDMHDHDEBI-GFCCVEGCSA-N 1 2 241.335 0.065 20 0 BCADLO O=C(c1cn[nH]c1)N1CCn2c[nH+]cc2C1 ZINC000291181055 386521174 /nfs/dbraw/zinc/52/11/74/386521174.db2.gz SNHBSZMSIAPKEW-UHFFFAOYSA-N 1 2 217.232 0.262 20 0 BCADLO Cc1nc(F)ccc1C[N@H+](C)CC(N)=O ZINC000278421696 386524031 /nfs/dbraw/zinc/52/40/31/386524031.db2.gz IPWLNTOJEIVKEI-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO Cc1nc(F)ccc1C[N@@H+](C)CC(N)=O ZINC000278421696 386524034 /nfs/dbraw/zinc/52/40/34/386524034.db2.gz IPWLNTOJEIVKEI-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO CCCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339706117 386526952 /nfs/dbraw/zinc/52/69/52/386526952.db2.gz LFLLJKQPGHAOPB-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO C[N@H+](Cc1cnccn1)[C@H]1CCN(C2CC2)C1=O ZINC000336724509 386458416 /nfs/dbraw/zinc/45/84/16/386458416.db2.gz JURIZMAAIHNTBY-LBPRGKRZSA-N 1 2 246.314 0.672 20 0 BCADLO C[N@@H+](Cc1cnccn1)[C@H]1CCN(C2CC2)C1=O ZINC000336724509 386458424 /nfs/dbraw/zinc/45/84/24/386458424.db2.gz JURIZMAAIHNTBY-LBPRGKRZSA-N 1 2 246.314 0.672 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000227982078 386528156 /nfs/dbraw/zinc/52/81/56/386528156.db2.gz MWWMNCXGOITWEJ-GXSJLCMTSA-N 1 2 225.292 0.348 20 0 BCADLO COC[C@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000277705045 386461504 /nfs/dbraw/zinc/46/15/04/386461504.db2.gz GUHDFTHUDOKXDC-LURJTMIESA-N 1 2 246.698 0.786 20 0 BCADLO COC[C@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000277705045 386461509 /nfs/dbraw/zinc/46/15/09/386461509.db2.gz GUHDFTHUDOKXDC-LURJTMIESA-N 1 2 246.698 0.786 20 0 BCADLO O=C(CCn1cccn1)N1CCn2c[nH+]cc2C1 ZINC000290645862 386465439 /nfs/dbraw/zinc/46/54/39/386465439.db2.gz AHVAKDAUNYRDIC-UHFFFAOYSA-N 1 2 245.286 0.512 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000278744238 386576001 /nfs/dbraw/zinc/57/60/01/386576001.db2.gz VFRCLQVIIBWLTC-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(F)F ZINC000267728212 386579190 /nfs/dbraw/zinc/57/91/90/386579190.db2.gz VLJBEJNEIIABGL-ZETCQYMHSA-N 1 2 232.234 0.836 20 0 BCADLO COC(=O)CCNc1[nH+]cnc2c1cnn2C ZINC000014214930 386584041 /nfs/dbraw/zinc/58/40/41/386584041.db2.gz WJCMKMDQJMIBTF-UHFFFAOYSA-N 1 2 235.247 0.338 20 0 BCADLO Cc1nnc(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000291831336 386588208 /nfs/dbraw/zinc/58/82/08/386588208.db2.gz GIGBIXYWCUALIW-QMMMGPOBSA-N 1 2 240.332 0.904 20 0 BCADLO Cc1nnc(N(C)C(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000291831336 386588212 /nfs/dbraw/zinc/58/82/12/386588212.db2.gz GIGBIXYWCUALIW-QMMMGPOBSA-N 1 2 240.332 0.904 20 0 BCADLO Cc1cnc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000291833564 386588453 /nfs/dbraw/zinc/58/84/53/386588453.db2.gz SXNSYPZGBNJZAF-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(C)(C)O1 ZINC000278819948 386590202 /nfs/dbraw/zinc/59/02/02/386590202.db2.gz XVSFKZVGFZSBGU-SECBINFHSA-N 1 2 237.303 0.994 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000267333202 386530822 /nfs/dbraw/zinc/53/08/22/386530822.db2.gz QWPUAUOJCQIXMV-LURJTMIESA-N 1 2 225.248 0.400 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000061680274 386532933 /nfs/dbraw/zinc/53/29/33/386532933.db2.gz ZTBWQSWZNGXQTQ-ZETCQYMHSA-N 1 2 207.233 0.639 20 0 BCADLO CCC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000519701784 386537436 /nfs/dbraw/zinc/53/74/36/386537436.db2.gz GTOJOFJUPCOSBV-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000061707822 386539980 /nfs/dbraw/zinc/53/99/80/386539980.db2.gz NFWMKAYOJCYFCI-ZETCQYMHSA-N 1 2 217.219 0.845 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000061707822 386539987 /nfs/dbraw/zinc/53/99/87/386539987.db2.gz NFWMKAYOJCYFCI-ZETCQYMHSA-N 1 2 217.219 0.845 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000061707823 386542276 /nfs/dbraw/zinc/54/22/76/386542276.db2.gz NFWMKAYOJCYFCI-SSDOTTSWSA-N 1 2 217.219 0.845 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000061707823 386542281 /nfs/dbraw/zinc/54/22/81/386542281.db2.gz NFWMKAYOJCYFCI-SSDOTTSWSA-N 1 2 217.219 0.845 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(C)[nH]1 ZINC000061711128 386543902 /nfs/dbraw/zinc/54/39/02/386543902.db2.gz YIUFNIQQKALWAG-SNVBAGLBSA-N 1 2 222.288 0.881 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)C2)c(C)[nH]1 ZINC000061711128 386543909 /nfs/dbraw/zinc/54/39/09/386543909.db2.gz YIUFNIQQKALWAG-SNVBAGLBSA-N 1 2 222.288 0.881 20 0 BCADLO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)on1 ZINC000336733443 386543838 /nfs/dbraw/zinc/54/38/38/386543838.db2.gz MJYDFVXYKGOYQU-DTWKUNHWSA-N 1 2 214.265 0.641 20 0 BCADLO CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339731492 386548786 /nfs/dbraw/zinc/54/87/86/386548786.db2.gz TXDYSGYGCJGKLD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(F)nc1C ZINC000278561271 386549205 /nfs/dbraw/zinc/54/92/05/386549205.db2.gz FNMNOILDUNQFQM-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(F)nc1C ZINC000278561271 386549211 /nfs/dbraw/zinc/54/92/11/386549211.db2.gz FNMNOILDUNQFQM-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335465128 386550524 /nfs/dbraw/zinc/55/05/24/386550524.db2.gz SJVPUYXYWSNXSO-GXSJLCMTSA-N 1 2 237.303 0.331 20 0 BCADLO CCN1C[C@@H](Nc2cc[nH+]c(C)n2)CC1=O ZINC000391650476 386558353 /nfs/dbraw/zinc/55/83/53/386558353.db2.gz WQWADZUWMHHGPY-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO CC(C)n1c[nH+]cc1CN(C)CC(=O)N(C)C ZINC000425322508 386559239 /nfs/dbraw/zinc/55/92/39/386559239.db2.gz JBOLEIFVWOOGRQ-UHFFFAOYSA-N 1 2 238.335 0.984 20 0 BCADLO CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC000645352310 386561149 /nfs/dbraw/zinc/56/11/49/386561149.db2.gz WEDRILDZDALAKY-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cc1c[nH+]cn1C ZINC000519857349 386568496 /nfs/dbraw/zinc/56/84/96/386568496.db2.gz OXAGWPYKAWRKIP-SNVBAGLBSA-N 1 2 239.319 0.487 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000278711060 386570505 /nfs/dbraw/zinc/57/05/05/386570505.db2.gz KDWMVLBPOGMZOP-GFCCVEGCSA-N 1 2 249.314 0.898 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000519863515 386572537 /nfs/dbraw/zinc/57/25/37/386572537.db2.gz VQJHTDLBKZCQDJ-MRVPVSSYSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000519863515 386572541 /nfs/dbraw/zinc/57/25/41/386572541.db2.gz VQJHTDLBKZCQDJ-MRVPVSSYSA-N 1 2 224.308 0.570 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCN1CCOC[C@H]1C ZINC000337137619 386623451 /nfs/dbraw/zinc/62/34/51/386623451.db2.gz OHMIQQKMUBZGIE-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO O=C1NCCN1CC[N@@H+]1Cc2cccnc2C1 ZINC000644932817 386628478 /nfs/dbraw/zinc/62/84/78/386628478.db2.gz MCXANMRAVOBFSL-UHFFFAOYSA-N 1 2 232.287 0.422 20 0 BCADLO O=C1NCCN1CC[N@H+]1Cc2cccnc2C1 ZINC000644932817 386628482 /nfs/dbraw/zinc/62/84/82/386628482.db2.gz MCXANMRAVOBFSL-UHFFFAOYSA-N 1 2 232.287 0.422 20 0 BCADLO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)o1 ZINC000268179035 386628668 /nfs/dbraw/zinc/62/86/68/386628668.db2.gz SNHQALRNOPCKJH-UHFFFAOYSA-N 1 2 235.243 0.965 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000337167709 386630748 /nfs/dbraw/zinc/63/07/48/386630748.db2.gz CQEXQZASHVORFI-MRVPVSSYSA-N 1 2 226.280 0.356 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000337167709 386630749 /nfs/dbraw/zinc/63/07/49/386630749.db2.gz CQEXQZASHVORFI-MRVPVSSYSA-N 1 2 226.280 0.356 20 0 BCADLO Nc1cc(CN2CC(=O)N(CC3CC3)C2)cc[nH+]1 ZINC000279099555 386630800 /nfs/dbraw/zinc/63/08/00/386630800.db2.gz QNUZKVVIWVDDTM-UHFFFAOYSA-N 1 2 246.314 0.676 20 0 BCADLO CCC(=O)N1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000644950316 386634034 /nfs/dbraw/zinc/63/40/34/386634034.db2.gz XYGMBOAGXJWFGB-UHFFFAOYSA-N 1 2 249.314 0.397 20 0 BCADLO CCC(=O)N1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000644950316 386634043 /nfs/dbraw/zinc/63/40/43/386634043.db2.gz XYGMBOAGXJWFGB-UHFFFAOYSA-N 1 2 249.314 0.397 20 0 BCADLO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)C2)CC1 ZINC000335504938 386636978 /nfs/dbraw/zinc/63/69/78/386636978.db2.gz XIGLDCXBYHNLMM-NSHDSACASA-N 1 2 238.331 0.908 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C)C1 ZINC000279146837 386638657 /nfs/dbraw/zinc/63/86/57/386638657.db2.gz GWBFJZXCZGSTPK-MRVPVSSYSA-N 1 2 223.276 0.508 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000329226162 386638877 /nfs/dbraw/zinc/63/88/77/386638877.db2.gz HEWLUVQZSIQARJ-LLVKDONJSA-N 1 2 244.302 0.942 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000329226162 386638882 /nfs/dbraw/zinc/63/88/82/386638882.db2.gz HEWLUVQZSIQARJ-LLVKDONJSA-N 1 2 244.302 0.942 20 0 BCADLO C[C@H](CO)[N@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000329249595 386640953 /nfs/dbraw/zinc/64/09/53/386640953.db2.gz XDVJUIODHRWVKB-SECBINFHSA-N 1 2 239.323 0.336 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000329249595 386640959 /nfs/dbraw/zinc/64/09/59/386640959.db2.gz XDVJUIODHRWVKB-SECBINFHSA-N 1 2 239.323 0.336 20 0 BCADLO C[N@H+]([C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC000328880645 386641601 /nfs/dbraw/zinc/64/16/01/386641601.db2.gz KTWRKMRNTVQUCM-YUMQZZPRSA-N 1 2 211.265 0.766 20 0 BCADLO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC000328880645 386641605 /nfs/dbraw/zinc/64/16/05/386641605.db2.gz KTWRKMRNTVQUCM-YUMQZZPRSA-N 1 2 211.265 0.766 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCn3ncnc3C2)c1 ZINC000328923853 386656048 /nfs/dbraw/zinc/65/60/48/386656048.db2.gz VDMCFJOEHNFOEF-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO Cc1cnn(CC[N@H+]2CCn3ncnc3C2)c1 ZINC000328923853 386656053 /nfs/dbraw/zinc/65/60/53/386656053.db2.gz VDMCFJOEHNFOEF-UHFFFAOYSA-N 1 2 232.291 0.299 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nnc[nH]1 ZINC000279189220 386646953 /nfs/dbraw/zinc/64/69/53/386646953.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 1 2 249.318 0.609 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nnc[nH]1 ZINC000279189220 386646961 /nfs/dbraw/zinc/64/69/61/386646961.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 1 2 249.318 0.609 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)N(C2CC2)C1 ZINC000279217241 386649254 /nfs/dbraw/zinc/64/92/54/386649254.db2.gz WWLQDCFLMLQJPM-UHFFFAOYSA-N 1 2 220.276 0.184 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NO[C@@H]1CCCCO1 ZINC000279204247 386650052 /nfs/dbraw/zinc/65/00/52/386650052.db2.gz NELDYOJPFWPEOA-LLVKDONJSA-N 1 2 239.275 0.917 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cn[nH]c1 ZINC000337204306 386650655 /nfs/dbraw/zinc/65/06/55/386650655.db2.gz ITUCLHMOISGGCA-SSDOTTSWSA-N 1 2 236.279 0.710 20 0 BCADLO Cn1nnnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000329322362 386651060 /nfs/dbraw/zinc/65/10/60/386651060.db2.gz FKYYETCRKXEALX-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1nnnc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000329322362 386651063 /nfs/dbraw/zinc/65/10/63/386651063.db2.gz FKYYETCRKXEALX-SECBINFHSA-N 1 2 237.307 0.211 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCCCO)CCO1 ZINC000148882472 386651633 /nfs/dbraw/zinc/65/16/33/386651633.db2.gz PMCWUZLOLVLROM-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCCCO)CCO1 ZINC000148882472 386651636 /nfs/dbraw/zinc/65/16/36/386651636.db2.gz PMCWUZLOLVLROM-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000328904811 386652368 /nfs/dbraw/zinc/65/23/68/386652368.db2.gz JNXFBYLTFCPJTD-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000328904811 386652373 /nfs/dbraw/zinc/65/23/73/386652373.db2.gz JNXFBYLTFCPJTD-UWVGGRQHSA-N 1 2 237.307 0.354 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCN1CCNC1=O ZINC000328632818 386604182 /nfs/dbraw/zinc/60/41/82/386604182.db2.gz AOCLVYAKNBSOOW-UHFFFAOYSA-N 1 2 240.307 0.267 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCN1CCNC1=O ZINC000328632818 386604186 /nfs/dbraw/zinc/60/41/86/386604186.db2.gz AOCLVYAKNBSOOW-UHFFFAOYSA-N 1 2 240.307 0.267 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425549792 386604493 /nfs/dbraw/zinc/60/44/93/386604493.db2.gz ODYZLKNDBNIDPU-BDAKNGLRSA-N 1 2 238.291 0.546 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425549792 386604501 /nfs/dbraw/zinc/60/45/01/386604501.db2.gz ODYZLKNDBNIDPU-BDAKNGLRSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CSC ZINC000336645270 386605685 /nfs/dbraw/zinc/60/56/85/386605685.db2.gz BJJHKIUQJQWZRY-ZETCQYMHSA-N 1 2 221.322 0.252 20 0 BCADLO C[C@H](CNC(=O)c1cncn1C)Cn1cc[nH+]c1 ZINC000292039277 386610830 /nfs/dbraw/zinc/61/08/30/386610830.db2.gz XNXOXEBZABZETD-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493873 386613580 /nfs/dbraw/zinc/61/35/80/386613580.db2.gz ZBLSTEOHYKIXFR-BDAKNGLRSA-N 1 2 225.267 0.920 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493874 386613866 /nfs/dbraw/zinc/61/38/66/386613866.db2.gz ZBLSTEOHYKIXFR-DTWKUNHWSA-N 1 2 225.267 0.920 20 0 BCADLO C[C@@H](CF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493875 386614088 /nfs/dbraw/zinc/61/40/88/386614088.db2.gz ZBLSTEOHYKIXFR-IUCAKERBSA-N 1 2 225.267 0.920 20 0 BCADLO CCONC(=O)NCc1c[nH+]ccc1OC ZINC000292379338 386659096 /nfs/dbraw/zinc/65/90/96/386659096.db2.gz GTKHFJXTOQOPDV-UHFFFAOYSA-N 1 2 225.248 0.841 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC000292390177 386660831 /nfs/dbraw/zinc/66/08/31/386660831.db2.gz IJLNLBBSLMWADK-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC000292390177 386660838 /nfs/dbraw/zinc/66/08/38/386660838.db2.gz IJLNLBBSLMWADK-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO CC[C@@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000292385901 386662238 /nfs/dbraw/zinc/66/22/38/386662238.db2.gz YUKGWGOANMVIGA-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO Cc1ccoc1C[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000292408062 386664405 /nfs/dbraw/zinc/66/44/05/386664405.db2.gz UKOFULKIJUZSMJ-UHFFFAOYSA-N 1 2 222.248 0.631 20 0 BCADLO Cc1ccoc1C[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000292408062 386664413 /nfs/dbraw/zinc/66/44/13/386664413.db2.gz UKOFULKIJUZSMJ-UHFFFAOYSA-N 1 2 222.248 0.631 20 0 BCADLO Cc1cc(N[C@@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000336759441 386665527 /nfs/dbraw/zinc/66/55/27/386665527.db2.gz IYORCCCKOCVKCH-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO CCOC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000452273526 386666674 /nfs/dbraw/zinc/66/66/74/386666674.db2.gz CTVGLWKAQMSJQO-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CCC(=O)CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000520426568 386671950 /nfs/dbraw/zinc/67/19/50/386671950.db2.gz LWWMWTINOMSNRX-VIFPVBQESA-N 1 2 212.293 0.422 20 0 BCADLO Cn1ccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000268648725 386675023 /nfs/dbraw/zinc/67/50/23/386675023.db2.gz VHQWYZFXBVPBNT-UHFFFAOYSA-N 1 2 218.260 0.652 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000330364710 386678436 /nfs/dbraw/zinc/67/84/36/386678436.db2.gz VEHPQOWHSGEDEE-SNVBAGLBSA-N 1 2 241.291 0.351 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000330364710 386678444 /nfs/dbraw/zinc/67/84/44/386678444.db2.gz VEHPQOWHSGEDEE-SNVBAGLBSA-N 1 2 241.291 0.351 20 0 BCADLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@@H](C)O ZINC000425581106 386657836 /nfs/dbraw/zinc/65/78/36/386657836.db2.gz DLQTYVTVMWJPBJ-SSDOTTSWSA-N 1 2 242.275 0.667 20 0 BCADLO CCc1nnc2n1CC[N@@H+](C[C@@H](O)C(C)C)C2 ZINC000644992855 386658916 /nfs/dbraw/zinc/65/89/16/386658916.db2.gz PAFHDTOMTBEJNO-SNVBAGLBSA-N 1 2 238.335 0.673 20 0 BCADLO CCc1nnc2n1CC[N@H+](C[C@@H](O)C(C)C)C2 ZINC000644992855 386658922 /nfs/dbraw/zinc/65/89/22/386658922.db2.gz PAFHDTOMTBEJNO-SNVBAGLBSA-N 1 2 238.335 0.673 20 0 BCADLO C[C@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335532067 386684495 /nfs/dbraw/zinc/68/44/95/386684495.db2.gz VSJOGUAJAJVKHI-VHSXEESVSA-N 1 2 235.287 0.793 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCc1cnccn1 ZINC000357006982 386685860 /nfs/dbraw/zinc/68/58/60/386685860.db2.gz CTZWSLPCVZZEMG-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCc1cnccn1 ZINC000357006982 386685868 /nfs/dbraw/zinc/68/58/68/386685868.db2.gz CTZWSLPCVZZEMG-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO C[C@H]1C[N@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000647956164 386690244 /nfs/dbraw/zinc/69/02/44/386690244.db2.gz FPIVCHVUQHZDBB-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1C[N@@H+](CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000647956164 386690247 /nfs/dbraw/zinc/69/02/47/386690247.db2.gz FPIVCHVUQHZDBB-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)[C@@H](C)CO1 ZINC000647956164 386690251 /nfs/dbraw/zinc/69/02/51/386690251.db2.gz FPIVCHVUQHZDBB-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)[C@@H](C)CO1 ZINC000647956164 386690255 /nfs/dbraw/zinc/69/02/55/386690255.db2.gz FPIVCHVUQHZDBB-IUCAKERBSA-N 1 2 210.281 0.456 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cnc[nH]1 ZINC000337259993 386692237 /nfs/dbraw/zinc/69/22/37/386692237.db2.gz WRVPRHSJTRPOPE-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cnc[nH]1 ZINC000337259993 386692244 /nfs/dbraw/zinc/69/22/44/386692244.db2.gz WRVPRHSJTRPOPE-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1c[nH]cn1 ZINC000337259993 386692252 /nfs/dbraw/zinc/69/22/52/386692252.db2.gz WRVPRHSJTRPOPE-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1c[nH]cn1 ZINC000337259993 386692259 /nfs/dbraw/zinc/69/22/59/386692259.db2.gz WRVPRHSJTRPOPE-NXEZZACHSA-N 1 2 220.276 0.120 20 0 BCADLO Cc1c(C[N@@H+](CC(N)=O)C(C)C)cnn1C ZINC000268869775 386711750 /nfs/dbraw/zinc/71/17/50/386711750.db2.gz GBWBBLNZLYIQMC-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1c(C[N@H+](CC(N)=O)C(C)C)cnn1C ZINC000268869775 386711756 /nfs/dbraw/zinc/71/17/56/386711756.db2.gz GBWBBLNZLYIQMC-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247014748 386692989 /nfs/dbraw/zinc/69/29/89/386692989.db2.gz CHXYWCIOGOWUJA-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000248435724 386693003 /nfs/dbraw/zinc/69/30/03/386693003.db2.gz AGIOGCVGOVKBIJ-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)n1 ZINC000248435724 386693013 /nfs/dbraw/zinc/69/30/13/386693013.db2.gz AGIOGCVGOVKBIJ-RKDXNWHRSA-N 1 2 241.291 0.734 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247014748 386692993 /nfs/dbraw/zinc/69/29/93/386692993.db2.gz CHXYWCIOGOWUJA-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO COCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279545931 386698953 /nfs/dbraw/zinc/69/89/53/386698953.db2.gz XFCODHPKEQSWFX-QMMMGPOBSA-N 1 2 225.292 0.802 20 0 BCADLO COCC[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279545931 386698954 /nfs/dbraw/zinc/69/89/54/386698954.db2.gz XFCODHPKEQSWFX-QMMMGPOBSA-N 1 2 225.292 0.802 20 0 BCADLO Cn1ccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000335476415 386701057 /nfs/dbraw/zinc/70/10/57/386701057.db2.gz ULEFCLATJGLHIN-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO Cc1[nH+]c2cc(OCC(N)=O)ccc2n1C ZINC000645077332 386704545 /nfs/dbraw/zinc/70/45/45/386704545.db2.gz YHMOTWCRSAGMJC-UHFFFAOYSA-N 1 2 219.244 0.746 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC(F)(F)CO ZINC000279734153 386730823 /nfs/dbraw/zinc/73/08/23/386730823.db2.gz ACBDPSCUDHSTJR-UHFFFAOYSA-N 1 2 247.245 0.097 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)CC1CC1)[C@@H](C)O ZINC000191966456 386731129 /nfs/dbraw/zinc/73/11/29/386731129.db2.gz KTFQCQQDVWSMMZ-QXFUBDJGSA-N 1 2 215.293 0.687 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC000647960804 386731367 /nfs/dbraw/zinc/73/13/67/386731367.db2.gz KTYDNMJAUNTGPB-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC000647960804 386731376 /nfs/dbraw/zinc/73/13/76/386731376.db2.gz KTYDNMJAUNTGPB-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[C@H](C)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960438 386732158 /nfs/dbraw/zinc/73/21/58/386732158.db2.gz SUIMZZMMOKKCQT-YIZRAAEISA-N 1 2 203.282 0.545 20 0 BCADLO CO[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)C ZINC000353318525 386732952 /nfs/dbraw/zinc/73/29/52/386732952.db2.gz FQKMVBBBKXHNCD-SNVBAGLBSA-N 1 2 225.292 0.739 20 0 BCADLO Cc1nc(CN(C)CC[NH+]2CCOCC2)co1 ZINC000647962022 386735204 /nfs/dbraw/zinc/73/52/04/386735204.db2.gz JTULMZVHWZXEED-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1nc(C[N@H+](C)CCN2CCOCC2)co1 ZINC000647962022 386735210 /nfs/dbraw/zinc/73/52/10/386735210.db2.gz JTULMZVHWZXEED-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1nc(C[N@@H+](C)CCN2CCOCC2)co1 ZINC000647962022 386735213 /nfs/dbraw/zinc/73/52/13/386735213.db2.gz JTULMZVHWZXEED-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO O=C1C[N@H+](CCCO[C@@H]2CCCCO2)CCN1 ZINC000330423745 386714456 /nfs/dbraw/zinc/71/44/56/386714456.db2.gz HANWRYUCEHMQHF-GFCCVEGCSA-N 1 2 242.319 0.352 20 0 BCADLO O=C1C[N@@H+](CCCO[C@@H]2CCCCO2)CCN1 ZINC000330423745 386714459 /nfs/dbraw/zinc/71/44/59/386714459.db2.gz HANWRYUCEHMQHF-GFCCVEGCSA-N 1 2 242.319 0.352 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000526970973 386714840 /nfs/dbraw/zinc/71/48/40/386714840.db2.gz DHNINIAEVRNOFQ-MRVPVSSYSA-N 1 2 213.256 0.198 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000526970973 386714845 /nfs/dbraw/zinc/71/48/45/386714845.db2.gz DHNINIAEVRNOFQ-MRVPVSSYSA-N 1 2 213.256 0.198 20 0 BCADLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC(O)C1 ZINC000268912322 386715895 /nfs/dbraw/zinc/71/58/95/386715895.db2.gz NCGPRUAMAMBRCG-UHFFFAOYSA-N 1 2 244.254 0.084 20 0 BCADLO Cc1c(C[N@@H+]2CCO[C@H](C)C2)cnn1C ZINC000268895704 386718607 /nfs/dbraw/zinc/71/86/07/386718607.db2.gz PCSYNGCYXRTIAO-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c(C[N@H+]2CCO[C@H](C)C2)cnn1C ZINC000268895704 386718616 /nfs/dbraw/zinc/71/86/16/386718616.db2.gz PCSYNGCYXRTIAO-SECBINFHSA-N 1 2 209.293 0.949 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000248007700 386740209 /nfs/dbraw/zinc/74/02/09/386740209.db2.gz OWMOXCSNJDKMAU-VIFPVBQESA-N 1 2 224.308 0.329 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000248007700 386740216 /nfs/dbraw/zinc/74/02/16/386740216.db2.gz OWMOXCSNJDKMAU-VIFPVBQESA-N 1 2 224.308 0.329 20 0 BCADLO COCCN(C)CC[NH2+]Cc1cocn1 ZINC000192304597 386756071 /nfs/dbraw/zinc/75/60/71/386756071.db2.gz AJKBWQNVTBIPQH-UHFFFAOYSA-N 1 2 213.281 0.342 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c[nH+]1 ZINC000269171193 386758122 /nfs/dbraw/zinc/75/81/22/386758122.db2.gz ROSGSJLUADHSJA-MRVPVSSYSA-N 1 2 238.291 0.348 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cnn1 ZINC000527041277 386758107 /nfs/dbraw/zinc/75/81/07/386758107.db2.gz SKKMSRQTDJFUTN-UHFFFAOYSA-N 1 2 231.259 0.481 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2cocn2)CN1C1CC1 ZINC000192322454 386764673 /nfs/dbraw/zinc/76/46/73/386764673.db2.gz QBDXBZUYWYKWAU-QMMMGPOBSA-N 1 2 221.260 0.528 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2cocn2)C1 ZINC000192327255 386764864 /nfs/dbraw/zinc/76/48/64/386764864.db2.gz QHZZIOIINNQESL-UHFFFAOYSA-N 1 2 211.221 0.215 20 0 BCADLO CC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000330557382 386769163 /nfs/dbraw/zinc/76/91/63/386769163.db2.gz ZTEJPDGLNYOMQI-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000330557382 386769168 /nfs/dbraw/zinc/76/91/68/386769168.db2.gz ZTEJPDGLNYOMQI-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[N@H+](CCCO)Cc1ncnn1C(C)(C)C ZINC000330447544 386743168 /nfs/dbraw/zinc/74/31/68/386743168.db2.gz WDBROVVJSBISGG-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO C[N@@H+](CCCO)Cc1ncnn1C(C)(C)C ZINC000330447544 386743178 /nfs/dbraw/zinc/74/31/78/386743178.db2.gz WDBROVVJSBISGG-UHFFFAOYSA-N 1 2 226.324 0.847 20 0 BCADLO CC[C@@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000330447954 386743364 /nfs/dbraw/zinc/74/33/64/386743364.db2.gz IFKYSSKBELJNHR-VIFPVBQESA-N 1 2 225.292 0.240 20 0 BCADLO CC(=O)c1ccc(C(=O)NCc2[nH+]ccn2C)[nH]1 ZINC000339912887 386790285 /nfs/dbraw/zinc/79/02/85/386790285.db2.gz YJAJFGJASOKMFE-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO CCC[C@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000269311189 386775503 /nfs/dbraw/zinc/77/55/03/386775503.db2.gz NXZKBUVMALGAOW-LBPRGKRZSA-N 1 2 239.319 0.930 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1[nH]cc[nH+]1 ZINC000269327848 386778600 /nfs/dbraw/zinc/77/86/00/386778600.db2.gz WHWSUABUGMEPOG-SNVBAGLBSA-N 1 2 211.265 0.577 20 0 BCADLO CC[C@](C)([NH2+]CCc1ccnn1C)C(=O)OC ZINC000293110097 386780271 /nfs/dbraw/zinc/78/02/71/386780271.db2.gz JTTDWACCRJOFDP-LBPRGKRZSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000357425012 386780560 /nfs/dbraw/zinc/78/05/60/386780560.db2.gz NWEVMKJQUNFBFB-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000357425012 386780565 /nfs/dbraw/zinc/78/05/65/386780565.db2.gz NWEVMKJQUNFBFB-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO COC(=O)C1(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000357429670 386781800 /nfs/dbraw/zinc/78/18/00/386781800.db2.gz VPPTYDGQJIOBBI-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO COC(=O)C1(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000357429670 386781809 /nfs/dbraw/zinc/78/18/09/386781809.db2.gz VPPTYDGQJIOBBI-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CCC(N)=O ZINC000330606811 386784089 /nfs/dbraw/zinc/78/40/89/386784089.db2.gz JDORWGCEODEENJ-UHFFFAOYSA-N 1 2 226.284 0.611 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CCC(N)=O ZINC000330606811 386784098 /nfs/dbraw/zinc/78/40/98/386784098.db2.gz JDORWGCEODEENJ-UHFFFAOYSA-N 1 2 226.284 0.611 20 0 BCADLO CC[C@](C)(O)C[N@@H+]1CCn2ncnc2C1 ZINC000408444745 386786918 /nfs/dbraw/zinc/78/69/18/386786918.db2.gz VWJUYKFNELITMK-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CC[C@](C)(O)C[N@H+]1CCn2ncnc2C1 ZINC000408444745 386786923 /nfs/dbraw/zinc/78/69/23/386786923.db2.gz VWJUYKFNELITMK-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCCn1cc(C[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000330609605 386787127 /nfs/dbraw/zinc/78/71/27/386787127.db2.gz MHGMHIQGTUCJEJ-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCCn1cc(C[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000330609605 386787137 /nfs/dbraw/zinc/78/71/37/386787137.db2.gz MHGMHIQGTUCJEJ-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330609283 386788201 /nfs/dbraw/zinc/78/82/01/386788201.db2.gz NRQAGROZPYGMJR-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000645499299 386817755 /nfs/dbraw/zinc/81/77/55/386817755.db2.gz RQYKNUVYBRUEPG-BHNWBGBOSA-N 1 2 225.317 0.915 20 0 BCADLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(N)=O)s1 ZINC000314656576 386818551 /nfs/dbraw/zinc/81/85/51/386818551.db2.gz NFXMWRTZNWZWLC-RXMQYKEDSA-N 1 2 243.288 0.066 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340972300 386820172 /nfs/dbraw/zinc/82/01/72/386820172.db2.gz LLZLEKAJEFVRJG-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340972300 386820177 /nfs/dbraw/zinc/82/01/77/386820177.db2.gz LLZLEKAJEFVRJG-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1O ZINC000395356733 386822039 /nfs/dbraw/zinc/82/20/39/386822039.db2.gz OQHRLZVUFMPTFV-VXGBXAGGSA-N 1 2 239.319 0.656 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1O ZINC000395356733 386822049 /nfs/dbraw/zinc/82/20/49/386822049.db2.gz OQHRLZVUFMPTFV-VXGBXAGGSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)n1cc(C[NH2+]CC(=O)N(C)C)nn1 ZINC000336672443 386823024 /nfs/dbraw/zinc/82/30/24/386823024.db2.gz SQWOWTKQPXHVBK-UHFFFAOYSA-N 1 2 225.296 0.037 20 0 BCADLO COC(=O)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000330580654 386797652 /nfs/dbraw/zinc/79/76/52/386797652.db2.gz PWULBIFXMIDBGM-UHFFFAOYSA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)C1([NH2+]CCn2cncn2)CCCC1 ZINC000330583037 386799088 /nfs/dbraw/zinc/79/90/88/386799088.db2.gz LRHHGBBSCYAWMM-UHFFFAOYSA-N 1 2 238.291 0.354 20 0 BCADLO CC[C@](C)([NH2+]CCc1cnn(C)c1)C(=O)OC ZINC000293307805 386800078 /nfs/dbraw/zinc/80/00/78/386800078.db2.gz VJDHKDUJCCAIDX-LBPRGKRZSA-N 1 2 239.319 0.894 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](F)C[C@H]1CO ZINC000330583344 386800257 /nfs/dbraw/zinc/80/02/57/386800257.db2.gz VPBRDQFWTOCIRO-UWVGGRQHSA-N 1 2 241.266 0.205 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330589835 386802339 /nfs/dbraw/zinc/80/23/39/386802339.db2.gz ZUANAYZEZZAIPD-GXSJLCMTSA-N 1 2 249.314 0.929 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589195 386802715 /nfs/dbraw/zinc/80/27/15/386802715.db2.gz UNKZSPUKRHZXEX-HLTSFMKQSA-N 1 2 234.271 0.331 20 0 BCADLO CCOC[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589195 386802717 /nfs/dbraw/zinc/80/27/17/386802717.db2.gz UNKZSPUKRHZXEX-HLTSFMKQSA-N 1 2 234.271 0.331 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330587141 386803487 /nfs/dbraw/zinc/80/34/87/386803487.db2.gz YAZAFVQZVZALDL-KOLCDFICSA-N 1 2 249.314 0.929 20 0 BCADLO CC(=O)C1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000293342894 386803978 /nfs/dbraw/zinc/80/39/78/386803978.db2.gz DFAMJUAVNIZJFR-VIFPVBQESA-N 1 2 235.287 0.757 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H](C)O)C(=O)OC ZINC000192983293 386807474 /nfs/dbraw/zinc/80/74/74/386807474.db2.gz RKQTYXPCPKKYKR-SCZZXKLOSA-N 1 2 203.282 0.689 20 0 BCADLO Cn1nncc1CNc1cc[nH+]c2ccncc12 ZINC000340986431 386810740 /nfs/dbraw/zinc/81/07/40/386810740.db2.gz UIEMPPLLVBHIPX-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)CC(C)(CO)CO)o1 ZINC000330632895 386825516 /nfs/dbraw/zinc/82/55/16/386825516.db2.gz RNRNNSNVQZVCDY-JTQLQIEISA-N 1 2 242.319 0.967 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)CC(C)(CO)CO)o1 ZINC000330632895 386825528 /nfs/dbraw/zinc/82/55/28/386825528.db2.gz RNRNNSNVQZVCDY-JTQLQIEISA-N 1 2 242.319 0.967 20 0 BCADLO CCCNC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939317 386829789 /nfs/dbraw/zinc/82/97/89/386829789.db2.gz JTQUUPYXKIQBPI-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000051666455 386837577 /nfs/dbraw/zinc/83/75/77/386837577.db2.gz DAAAADJKMFOJIW-UHFFFAOYSA-N 1 2 247.298 0.365 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2CCCCNC2=O)n1C ZINC000341110871 386839121 /nfs/dbraw/zinc/83/91/21/386839121.db2.gz CQAABSGZTRWPPN-JTQLQIEISA-N 1 2 236.319 0.487 20 0 BCADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330230898 386840154 /nfs/dbraw/zinc/84/01/54/386840154.db2.gz WRRYSTGEMFHCGF-MRVPVSSYSA-N 1 2 241.316 0.280 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000518852968 386840162 /nfs/dbraw/zinc/84/01/62/386840162.db2.gz QWTIYRKBEFMRIS-RKDXNWHRSA-N 1 2 225.292 0.502 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2CCCCNC2=O)n1C ZINC000341110872 386840522 /nfs/dbraw/zinc/84/05/22/386840522.db2.gz CQAABSGZTRWPPN-SNVBAGLBSA-N 1 2 236.319 0.487 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCc1cn[nH]c1 ZINC000357778440 386843121 /nfs/dbraw/zinc/84/31/21/386843121.db2.gz HUGCLEWEFNFKMT-UHFFFAOYSA-N 1 2 248.290 0.185 20 0 BCADLO C[C@@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334784912 386844259 /nfs/dbraw/zinc/84/42/59/386844259.db2.gz LPDVQXZHPGPQQA-MRVPVSSYSA-N 1 2 223.276 0.497 20 0 BCADLO C[C@@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334784912 386844262 /nfs/dbraw/zinc/84/42/62/386844262.db2.gz LPDVQXZHPGPQQA-MRVPVSSYSA-N 1 2 223.276 0.497 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCNC(=O)[C@H]2C)CC1 ZINC000331399433 386847347 /nfs/dbraw/zinc/84/73/47/386847347.db2.gz NHMPBGBFHRGELZ-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCNC(=O)[C@H]2C)CC1 ZINC000331399433 386847354 /nfs/dbraw/zinc/84/73/54/386847354.db2.gz NHMPBGBFHRGELZ-SECBINFHSA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331393665 386849435 /nfs/dbraw/zinc/84/94/35/386849435.db2.gz MHSWQPWMMJBZMO-SNVBAGLBSA-N 1 2 241.287 0.229 20 0 BCADLO COC(=O)CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331393665 386849440 /nfs/dbraw/zinc/84/94/40/386849440.db2.gz MHSWQPWMMJBZMO-SNVBAGLBSA-N 1 2 241.287 0.229 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293636935 386850804 /nfs/dbraw/zinc/85/08/04/386850804.db2.gz DCLBTXGFDVCAKC-SECBINFHSA-N 1 2 238.335 0.575 20 0 BCADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000334790635 386855597 /nfs/dbraw/zinc/85/55/97/386855597.db2.gz RCYGHQJOAIZTNO-LLVKDONJSA-N 1 2 236.319 0.822 20 0 BCADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000334790635 386855601 /nfs/dbraw/zinc/85/56/01/386855601.db2.gz RCYGHQJOAIZTNO-LLVKDONJSA-N 1 2 236.319 0.822 20 0 BCADLO CCn1c[nH+]cc1CN1CC(O)(C(F)F)C1 ZINC000425345994 386857843 /nfs/dbraw/zinc/85/78/43/386857843.db2.gz IISWTOLHEXSZKD-UHFFFAOYSA-N 1 2 231.246 0.715 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000293690967 386859990 /nfs/dbraw/zinc/85/99/90/386859990.db2.gz WHMFUPULGSMSRF-STQMWFEESA-N 1 2 244.298 0.563 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366725033 386860646 /nfs/dbraw/zinc/86/06/46/386860646.db2.gz VJSGDEWPGSHFSK-MNOVXSKESA-N 1 2 244.335 0.376 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366725033 386860653 /nfs/dbraw/zinc/86/06/53/386860653.db2.gz VJSGDEWPGSHFSK-MNOVXSKESA-N 1 2 244.335 0.376 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000293690963 386861609 /nfs/dbraw/zinc/86/16/09/386861609.db2.gz WHMFUPULGSMSRF-QWHCGFSZSA-N 1 2 244.298 0.563 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)n1 ZINC000293690959 386861629 /nfs/dbraw/zinc/86/16/29/386861629.db2.gz WHMFUPULGSMSRF-OLZOCXBDSA-N 1 2 244.298 0.563 20 0 BCADLO Cn1[nH]c(C[N@H+](C)Cc2ccco2)nc1=O ZINC000330723355 386868156 /nfs/dbraw/zinc/86/81/56/386868156.db2.gz DBYDDUIRCVVGOC-UHFFFAOYSA-N 1 2 222.248 0.333 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)Cc2ccco2)nc1=O ZINC000330723355 386868158 /nfs/dbraw/zinc/86/81/58/386868158.db2.gz DBYDDUIRCVVGOC-UHFFFAOYSA-N 1 2 222.248 0.333 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCc1ccc[nH]1 ZINC000357948696 386870692 /nfs/dbraw/zinc/87/06/92/386870692.db2.gz SOMWWGZBOOWXNJ-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2CC(=O)N(C3CC3)C2)n1C ZINC000341267052 386871991 /nfs/dbraw/zinc/87/19/91/386871991.db2.gz XGKPZBYMJBWIOB-SNVBAGLBSA-N 1 2 248.330 0.581 20 0 BCADLO O=C([C@H]1CCC[C@H](O)C1)N1CCn2cc[nH+]c2C1 ZINC000335749418 386874628 /nfs/dbraw/zinc/87/46/28/386874628.db2.gz RZNWYGPPYLOJQU-QWRGUYRKSA-N 1 2 249.314 0.776 20 0 BCADLO O=C([C@H]1CCC[C@@H](O)C1)N1CCn2cc[nH+]c2C1 ZINC000335749419 386874844 /nfs/dbraw/zinc/87/48/44/386874844.db2.gz RZNWYGPPYLOJQU-WDEREUQCSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000335749421 386874867 /nfs/dbraw/zinc/87/48/67/386874867.db2.gz RZPUCBFYFQGJIH-SNVBAGLBSA-N 1 2 208.261 0.940 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)no1 ZINC000335749421 386874872 /nfs/dbraw/zinc/87/48/72/386874872.db2.gz RZPUCBFYFQGJIH-SNVBAGLBSA-N 1 2 208.261 0.940 20 0 BCADLO Nc1c(N[C@@H]2CCOC2)[nH+]cnc1-n1cccn1 ZINC000301777193 386877284 /nfs/dbraw/zinc/87/72/84/386877284.db2.gz PFQQFPOLNIKJST-MRVPVSSYSA-N 1 2 246.274 0.445 20 0 BCADLO Cc1occc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000334837029 386878144 /nfs/dbraw/zinc/87/81/44/386878144.db2.gz QUOACQNCZIPCEA-LLVKDONJSA-N 1 2 235.287 0.797 20 0 BCADLO Cc1occc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000334837029 386878147 /nfs/dbraw/zinc/87/81/47/386878147.db2.gz QUOACQNCZIPCEA-LLVKDONJSA-N 1 2 235.287 0.797 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330304491 386884226 /nfs/dbraw/zinc/88/42/26/386884226.db2.gz KKDFSLPJSIQZDG-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)C1CC(O)C1 ZINC000331761196 386894987 /nfs/dbraw/zinc/89/49/87/386894987.db2.gz JCJZYDGYPZROCU-UHFFFAOYSA-N 1 2 238.335 0.952 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)C1CC(O)C1 ZINC000331761196 386894993 /nfs/dbraw/zinc/89/49/93/386894993.db2.gz JCJZYDGYPZROCU-UHFFFAOYSA-N 1 2 238.335 0.952 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCc2ncccc2C1 ZINC000367852098 386913741 /nfs/dbraw/zinc/91/37/41/386913741.db2.gz YXLJERUHTPHBGV-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1ncnc1C[N@H+]1CCc2ncccc2C1 ZINC000367852098 386913748 /nfs/dbraw/zinc/91/37/48/386913748.db2.gz YXLJERUHTPHBGV-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2ncccc2C1 ZINC000367848554 386914287 /nfs/dbraw/zinc/91/42/87/386914287.db2.gz UTBOVWBUADYKAV-NSHDSACASA-N 1 2 219.288 0.704 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2ncccc2C1 ZINC000367848554 386914292 /nfs/dbraw/zinc/91/42/92/386914292.db2.gz UTBOVWBUADYKAV-NSHDSACASA-N 1 2 219.288 0.704 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)no1 ZINC000425359502 386914909 /nfs/dbraw/zinc/91/49/09/386914909.db2.gz SWJUVZQFPHDGFT-SECBINFHSA-N 1 2 237.259 0.220 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)no1 ZINC000425359503 386915364 /nfs/dbraw/zinc/91/53/64/386915364.db2.gz SWJUVZQFPHDGFT-VIFPVBQESA-N 1 2 237.259 0.220 20 0 BCADLO CCCc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331823152 386915614 /nfs/dbraw/zinc/91/56/14/386915614.db2.gz WTWAPMFKUQZYOY-UHFFFAOYSA-N 1 2 225.292 0.977 20 0 BCADLO CCCc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331823152 386915618 /nfs/dbraw/zinc/91/56/18/386915618.db2.gz WTWAPMFKUQZYOY-UHFFFAOYSA-N 1 2 225.292 0.977 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773339 533201345 /nfs/dbraw/zinc/20/13/45/533201345.db2.gz VDCCKYOZEHDCRT-AVALRIAPSA-N 1 2 223.232 0.101 20 0 BCADLO COC[C@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OC ZINC000336762079 386918699 /nfs/dbraw/zinc/91/86/99/386918699.db2.gz KZMLUSSQSCVOKY-ZJUUUORDSA-N 1 2 231.292 0.191 20 0 BCADLO Cn1cccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000349646725 386896568 /nfs/dbraw/zinc/89/65/68/386896568.db2.gz QXMPFYYBCBAYDS-UHFFFAOYSA-N 1 2 246.318 0.711 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccon1 ZINC000330827275 386899754 /nfs/dbraw/zinc/89/97/54/386899754.db2.gz SAWXYJXYUWKURY-GXSJLCMTSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccon1 ZINC000330827275 386899757 /nfs/dbraw/zinc/89/97/57/386899757.db2.gz SAWXYJXYUWKURY-GXSJLCMTSA-N 1 2 226.276 0.646 20 0 BCADLO Cn1cccc(NC(=O)CCn2cc[nH+]c2)c1=O ZINC000358152498 386901569 /nfs/dbraw/zinc/90/15/69/386901569.db2.gz GYQMSFFNTAYMRT-UHFFFAOYSA-N 1 2 246.270 0.611 20 0 BCADLO Cc1c[nH+]c(CN[C@@H]2C(=O)NCC[C@@H]2C)n1C ZINC000341398929 386903626 /nfs/dbraw/zinc/90/36/26/386903626.db2.gz FAXNHQNDSGZOGB-KWQFWETISA-N 1 2 236.319 0.343 20 0 BCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC1 ZINC000335767578 386909965 /nfs/dbraw/zinc/90/99/65/386909965.db2.gz WJNFTAOPIGBEMR-NSHDSACASA-N 1 2 239.319 0.265 20 0 BCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC1 ZINC000335767578 386909969 /nfs/dbraw/zinc/90/99/69/386909969.db2.gz WJNFTAOPIGBEMR-NSHDSACASA-N 1 2 239.319 0.265 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000367976383 386922883 /nfs/dbraw/zinc/92/28/83/386922883.db2.gz KKESOCICPVRFIW-JBLDHEPKSA-N 1 2 249.314 0.851 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)[nH]1 ZINC000331907188 386924201 /nfs/dbraw/zinc/92/42/01/386924201.db2.gz YBBBQBXISFEIIM-JTQLQIEISA-N 1 2 247.306 0.542 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](n3ccnn3)C2)[nH]1 ZINC000331907188 386924206 /nfs/dbraw/zinc/92/42/06/386924206.db2.gz YBBBQBXISFEIIM-JTQLQIEISA-N 1 2 247.306 0.542 20 0 BCADLO Cc1noc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000329306037 386929996 /nfs/dbraw/zinc/92/99/96/386929996.db2.gz PBJVGDKDLUMNJQ-AOOOYVTPSA-N 1 2 239.275 0.620 20 0 BCADLO Cc1noc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000329306037 386930002 /nfs/dbraw/zinc/93/00/02/386930002.db2.gz PBJVGDKDLUMNJQ-AOOOYVTPSA-N 1 2 239.275 0.620 20 0 BCADLO CC[C@H](O)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330956775 386930572 /nfs/dbraw/zinc/93/05/72/386930572.db2.gz HWTGNLUWYYDAAG-VIFPVBQESA-N 1 2 239.319 0.965 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330970004 386932188 /nfs/dbraw/zinc/93/21/88/386932188.db2.gz FEQVAFWCBPPICS-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO Cc1cnn(CC(=O)Nc2cc[nH+]cc2O)c1 ZINC000358353200 386938526 /nfs/dbraw/zinc/93/85/26/386938526.db2.gz MHKGSNQZPPSWRS-UHFFFAOYSA-N 1 2 232.243 0.353 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)[C@H](C)CO ZINC000330980495 386941241 /nfs/dbraw/zinc/94/12/41/386941241.db2.gz PKKOTTTZZDMCIG-RKDXNWHRSA-N 1 2 239.319 0.820 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC1(O)CCC1 ZINC000332016887 386942198 /nfs/dbraw/zinc/94/21/98/386942198.db2.gz SGDFANVHHWOMNN-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC1(O)CCC1 ZINC000332016887 386942200 /nfs/dbraw/zinc/94/22/00/386942200.db2.gz SGDFANVHHWOMNN-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000336763453 386947959 /nfs/dbraw/zinc/94/79/59/386947959.db2.gz MFPCJHOXNGCSSH-LURJTMIESA-N 1 2 243.225 0.841 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000331011139 386944896 /nfs/dbraw/zinc/94/48/96/386944896.db2.gz JFFGPMBIHNZQKX-JQWIXIFHSA-N 1 2 239.319 0.795 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000336762944 386945014 /nfs/dbraw/zinc/94/50/14/386945014.db2.gz OKIZEZVMMZTPNY-WPRPVWTQSA-N 1 2 235.349 0.642 20 0 BCADLO COC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000332037139 386946116 /nfs/dbraw/zinc/94/61/16/386946116.db2.gz PPBXKKHNGYKWFB-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO COCC[C@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000358429227 386954506 /nfs/dbraw/zinc/95/45/06/386954506.db2.gz XSURTAFFMRHLGR-SECBINFHSA-N 1 2 241.291 0.499 20 0 BCADLO O=C(CC1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000331087219 386959315 /nfs/dbraw/zinc/95/93/15/386959315.db2.gz QJYUCEDAQHNBIH-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO O=C(CC1CCOCC1)NCc1c[nH]c[nH+]1 ZINC000331087219 386959320 /nfs/dbraw/zinc/95/93/20/386959320.db2.gz QJYUCEDAQHNBIH-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CC(C)CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331099666 386961212 /nfs/dbraw/zinc/96/12/12/386961212.db2.gz ATZBSSMRUQMAEX-WDEREUQCSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331099666 386961214 /nfs/dbraw/zinc/96/12/14/386961214.db2.gz ATZBSSMRUQMAEX-WDEREUQCSA-N 1 2 228.336 0.604 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368409451 386969347 /nfs/dbraw/zinc/96/93/47/386969347.db2.gz DTKRCJMBGLQWBS-IUCAKERBSA-N 1 2 224.264 0.086 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368409451 386969351 /nfs/dbraw/zinc/96/93/51/386969351.db2.gz DTKRCJMBGLQWBS-IUCAKERBSA-N 1 2 224.264 0.086 20 0 BCADLO C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000332267794 386969772 /nfs/dbraw/zinc/96/97/72/386969772.db2.gz BRCZBEHZABLVPC-LBPRGKRZSA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332360347 386973525 /nfs/dbraw/zinc/97/35/25/386973525.db2.gz JITAQWYLUFODAO-VXNVDRBHSA-N 1 2 239.275 0.729 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000332360347 386973530 /nfs/dbraw/zinc/97/35/30/386973530.db2.gz JITAQWYLUFODAO-VXNVDRBHSA-N 1 2 239.275 0.729 20 0 BCADLO O=C(CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368466415 386977346 /nfs/dbraw/zinc/97/73/46/386977346.db2.gz QGKLZIHHTBQXMV-SNVBAGLBSA-N 1 2 247.298 0.541 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1ncccn1)[C@H](C)CO ZINC000331159815 386977478 /nfs/dbraw/zinc/97/74/78/386977478.db2.gz KEIKULMEBIUBDZ-NXEZZACHSA-N 1 2 225.292 0.040 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1ncccn1)[C@H](C)CO ZINC000331159815 386977482 /nfs/dbraw/zinc/97/74/82/386977482.db2.gz KEIKULMEBIUBDZ-NXEZZACHSA-N 1 2 225.292 0.040 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ncccn1 ZINC000331156512 386977655 /nfs/dbraw/zinc/97/76/55/386977655.db2.gz JHVIEBLSVDRNRV-QWRGUYRKSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ncccn1 ZINC000331156512 386977657 /nfs/dbraw/zinc/97/76/57/386977657.db2.gz JHVIEBLSVDRNRV-QWRGUYRKSA-N 1 2 237.303 0.448 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334904008 386977687 /nfs/dbraw/zinc/97/76/87/386977687.db2.gz ZZTXCMQXTYVUPI-MWLCHTKSSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334904008 386977691 /nfs/dbraw/zinc/97/76/91/386977691.db2.gz ZZTXCMQXTYVUPI-MWLCHTKSSA-N 1 2 226.320 0.574 20 0 BCADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)O ZINC000358572713 386983310 /nfs/dbraw/zinc/98/33/10/386983310.db2.gz XMZFWWIBHFIDES-VIFPVBQESA-N 1 2 225.292 0.997 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000395203285 386986128 /nfs/dbraw/zinc/98/61/28/386986128.db2.gz SKJNKRHMZSGHLU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000395203285 386986129 /nfs/dbraw/zinc/98/61/29/386986129.db2.gz SKJNKRHMZSGHLU-APPZFPTMSA-N 1 2 211.265 0.581 20 0 BCADLO COc1ccc(CN2CCn3cc[nH+]c3C2)nn1 ZINC000332612030 386993451 /nfs/dbraw/zinc/99/34/51/386993451.db2.gz URMNTJYQWQNWCS-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO Cc1ccnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)n1 ZINC000331278617 386994087 /nfs/dbraw/zinc/99/40/87/386994087.db2.gz SJJRCRVESDJPOK-GZMMTYOYSA-N 1 2 234.303 0.399 20 0 BCADLO COC(=O)C[N@H+](CCn1cc(C)cn1)C1CC1 ZINC000341892533 386994499 /nfs/dbraw/zinc/99/44/99/386994499.db2.gz FMRZNALLZYXQOJ-UHFFFAOYSA-N 1 2 237.303 0.829 20 0 BCADLO COC(=O)C[N@@H+](CCn1cc(C)cn1)C1CC1 ZINC000341892533 386994504 /nfs/dbraw/zinc/99/45/04/386994504.db2.gz FMRZNALLZYXQOJ-UHFFFAOYSA-N 1 2 237.303 0.829 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000332633134 386994660 /nfs/dbraw/zinc/99/46/60/386994660.db2.gz ISUKSPYKIJEXKQ-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)C2)nn1 ZINC000332633134 386994663 /nfs/dbraw/zinc/99/46/63/386994663.db2.gz ISUKSPYKIJEXKQ-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)nn1 ZINC000332619258 386995398 /nfs/dbraw/zinc/99/53/98/386995398.db2.gz DRCDNPBOYIOZTO-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)nn1 ZINC000332619258 386995400 /nfs/dbraw/zinc/99/54/00/386995400.db2.gz DRCDNPBOYIOZTO-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)CO[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332628540 386995651 /nfs/dbraw/zinc/99/56/51/386995651.db2.gz HRNWRTGJHXPADD-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)CO[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332628540 386995654 /nfs/dbraw/zinc/99/56/54/386995654.db2.gz HRNWRTGJHXPADD-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663178 386999504 /nfs/dbraw/zinc/99/95/04/386999504.db2.gz BYKQRIUZRNFXDL-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663178 386999507 /nfs/dbraw/zinc/99/95/07/386999507.db2.gz BYKQRIUZRNFXDL-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@](O)(C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000341942218 387000092 /nfs/dbraw/zinc/00/00/92/387000092.db2.gz ZBCHMCXWFUVSNF-JTQLQIEISA-N 1 2 209.249 0.187 20 0 BCADLO C[C@@](O)(C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000341942218 387000098 /nfs/dbraw/zinc/00/00/98/387000098.db2.gz ZBCHMCXWFUVSNF-JTQLQIEISA-N 1 2 209.249 0.187 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000331265801 387001066 /nfs/dbraw/zinc/00/10/66/387001066.db2.gz HSVSNFWOSBDPNT-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)[nH]1 ZINC000332708744 387003001 /nfs/dbraw/zinc/00/30/01/387003001.db2.gz YQKBCWNDQUGBOR-RKDXNWHRSA-N 1 2 224.308 0.883 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)[nH]1 ZINC000332708744 387003004 /nfs/dbraw/zinc/00/30/04/387003004.db2.gz YQKBCWNDQUGBOR-RKDXNWHRSA-N 1 2 224.308 0.883 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331318568 387003233 /nfs/dbraw/zinc/00/32/33/387003233.db2.gz ZLXNWDSMKAYJNN-DTWKUNHWSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331318568 387003236 /nfs/dbraw/zinc/00/32/36/387003236.db2.gz ZLXNWDSMKAYJNN-DTWKUNHWSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)CC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000514586625 387003291 /nfs/dbraw/zinc/00/32/91/387003291.db2.gz GFKOYNWDRGXOID-LLVKDONJSA-N 1 2 229.276 0.481 20 0 BCADLO COC[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000332698879 387003513 /nfs/dbraw/zinc/00/35/13/387003513.db2.gz WUZZFJMXKGHMCT-VIFPVBQESA-N 1 2 211.265 0.846 20 0 BCADLO COC[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332698879 387003518 /nfs/dbraw/zinc/00/35/18/387003518.db2.gz WUZZFJMXKGHMCT-VIFPVBQESA-N 1 2 211.265 0.846 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000368214186 386950045 /nfs/dbraw/zinc/95/00/45/386950045.db2.gz DRKLGWOXFSYPDH-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000368214186 386950050 /nfs/dbraw/zinc/95/00/50/386950050.db2.gz DRKLGWOXFSYPDH-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000368214186 386950053 /nfs/dbraw/zinc/95/00/53/386950053.db2.gz DRKLGWOXFSYPDH-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000368214186 386950059 /nfs/dbraw/zinc/95/00/59/386950059.db2.gz DRKLGWOXFSYPDH-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO CC[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC000191433649 386950516 /nfs/dbraw/zinc/95/05/16/386950516.db2.gz KYUDLIUBFSYDTH-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC000191433649 386950519 /nfs/dbraw/zinc/95/05/19/386950519.db2.gz KYUDLIUBFSYDTH-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CCC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000519207569 387032823 /nfs/dbraw/zinc/03/28/23/387032823.db2.gz OHQONZOZUNDYSM-JTQLQIEISA-N 1 2 225.292 0.240 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369293237 387036659 /nfs/dbraw/zinc/03/66/59/387036659.db2.gz JUBWLKOQFDJQIW-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369293237 387036663 /nfs/dbraw/zinc/03/66/63/387036663.db2.gz JUBWLKOQFDJQIW-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000358974160 387040049 /nfs/dbraw/zinc/04/00/49/387040049.db2.gz GDSGFHRQXRCGIL-QMMMGPOBSA-N 1 2 239.275 0.790 20 0 BCADLO O=S(=O)(NCCn1cc[nH+]c1)c1ccco1 ZINC000188567423 387041109 /nfs/dbraw/zinc/04/11/09/387041109.db2.gz YIYZEPXALBABRG-UHFFFAOYSA-N 1 2 241.272 0.455 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369410555 387042812 /nfs/dbraw/zinc/04/28/12/387042812.db2.gz SXKURXDVFNQIGC-HOSYDEDBSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369410555 387042817 /nfs/dbraw/zinc/04/28/17/387042817.db2.gz SXKURXDVFNQIGC-HOSYDEDBSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccnc1 ZINC000070016522 387042997 /nfs/dbraw/zinc/04/29/97/387042997.db2.gz VWPNYJOFJSFGSQ-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccnc1 ZINC000070016522 387042999 /nfs/dbraw/zinc/04/29/99/387042999.db2.gz VWPNYJOFJSFGSQ-JTQLQIEISA-N 1 2 242.344 0.947 20 0 BCADLO O=C(CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000334963750 387044566 /nfs/dbraw/zinc/04/45/66/387044566.db2.gz UFIJZSIMIYXJFT-UHFFFAOYSA-N 1 2 240.328 0.385 20 0 BCADLO O=C(NC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096643035 387045801 /nfs/dbraw/zinc/04/58/01/387045801.db2.gz JAHBWKROLATSAX-MRVPVSSYSA-N 1 2 205.261 0.724 20 0 BCADLO O=C(NC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096643036 387045833 /nfs/dbraw/zinc/04/58/33/387045833.db2.gz JAHBWKROLATSAX-QMMMGPOBSA-N 1 2 205.261 0.724 20 0 BCADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000359126707 387058467 /nfs/dbraw/zinc/05/84/67/387058467.db2.gz NLNXCNABICNBJZ-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000359126707 387058473 /nfs/dbraw/zinc/05/84/73/387058473.db2.gz NLNXCNABICNBJZ-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CCC[C@@H](O)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459561120 387058670 /nfs/dbraw/zinc/05/86/70/387058670.db2.gz QXYAJOIROGFGFC-ZYHUDNBSSA-N 1 2 247.335 0.705 20 0 BCADLO CCC[C@H](O)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459561110 387058903 /nfs/dbraw/zinc/05/89/03/387058903.db2.gz QXYAJOIROGFGFC-JQWIXIFHSA-N 1 2 247.335 0.705 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](C)O ZINC000334106845 387065221 /nfs/dbraw/zinc/06/52/21/387065221.db2.gz YMFSVMFPKGIKRI-HTRCEHHLSA-N 1 2 211.265 0.607 20 0 BCADLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000331297294 387009771 /nfs/dbraw/zinc/00/97/71/387009771.db2.gz NIOLXVDITFCSGU-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000331297294 387009775 /nfs/dbraw/zinc/00/97/75/387009775.db2.gz NIOLXVDITFCSGU-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)s1 ZINC000331297704 387010193 /nfs/dbraw/zinc/01/01/93/387010193.db2.gz UONXHBJNPPVURS-YUMQZZPRSA-N 1 2 245.348 0.410 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)s1 ZINC000331297704 387010196 /nfs/dbraw/zinc/01/01/96/387010196.db2.gz UONXHBJNPPVURS-YUMQZZPRSA-N 1 2 245.348 0.410 20 0 BCADLO O=[S@@]1CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000333008309 387012075 /nfs/dbraw/zinc/01/20/75/387012075.db2.gz FHHOJFWIOUPDCF-HUTHGQBESA-N 1 2 247.323 0.985 20 0 BCADLO C=Cn1cc(C[NH+]2CC(C)(C(=O)OC)C2)cn1 ZINC000425375005 387013593 /nfs/dbraw/zinc/01/35/93/387013593.db2.gz RLFIPNCBEPXFHP-UHFFFAOYSA-N 1 2 235.287 0.979 20 0 BCADLO COC(=O)C1(C)C[NH+](Cc2cc[nH]n2)C1 ZINC000425373803 387014514 /nfs/dbraw/zinc/01/45/14/387014514.db2.gz NZFYQURHMQOAAO-UHFFFAOYSA-N 1 2 209.249 0.405 20 0 BCADLO CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H](C)CO ZINC000358790812 387014451 /nfs/dbraw/zinc/01/44/51/387014451.db2.gz RABOZWHMALWFOK-VIFPVBQESA-N 1 2 239.319 0.917 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3CCOC[C@H]3C2)o1 ZINC000368822812 387014555 /nfs/dbraw/zinc/01/45/55/387014555.db2.gz GPZPRXSFYQOOPY-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3CCOC[C@H]3C2)o1 ZINC000368822812 387014559 /nfs/dbraw/zinc/01/45/59/387014559.db2.gz GPZPRXSFYQOOPY-LLVKDONJSA-N 1 2 237.303 0.499 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)C1CC1 ZINC000358804274 387016004 /nfs/dbraw/zinc/01/60/04/387016004.db2.gz DPLKYHDEEWBEKQ-GHMZBOCLSA-N 1 2 240.303 0.148 20 0 BCADLO COC[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000333244385 387022217 /nfs/dbraw/zinc/02/22/17/387022217.db2.gz WWQDJNHKACOYKT-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO COC[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000333244385 387022221 /nfs/dbraw/zinc/02/22/21/387022221.db2.gz WWQDJNHKACOYKT-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO Cc1ccncc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000359243235 387072638 /nfs/dbraw/zinc/07/26/38/387072638.db2.gz ORUPPEMSPFZXSR-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccncc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000359243235 387072640 /nfs/dbraw/zinc/07/26/40/387072640.db2.gz ORUPPEMSPFZXSR-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000186158376 387073989 /nfs/dbraw/zinc/07/39/89/387073989.db2.gz QXDCOCNGTBZENP-LLVKDONJSA-N 1 2 238.262 0.981 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000186158376 387073993 /nfs/dbraw/zinc/07/39/93/387073993.db2.gz QXDCOCNGTBZENP-LLVKDONJSA-N 1 2 238.262 0.981 20 0 BCADLO CO[C@@H](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000369920649 387076793 /nfs/dbraw/zinc/07/67/93/387076793.db2.gz QNWYEZZMWYVETH-JTQLQIEISA-N 1 2 237.303 0.959 20 0 BCADLO CCC1CC([NH2+][C@@H](COC)C(=O)OC)C1 ZINC000336765658 387078493 /nfs/dbraw/zinc/07/84/93/387078493.db2.gz RBAJQLFQDRFYRA-RTBKNWGFSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]2COC[C@H]21 ZINC000370005744 387081468 /nfs/dbraw/zinc/08/14/68/387081468.db2.gz GWRCWMXJHXRKML-NWDGAFQWSA-N 1 2 249.314 0.911 20 0 BCADLO C[C@@H](C(=O)N(C)C1CC1)[NH+]1CCN(C)CC1 ZINC000336247493 387082308 /nfs/dbraw/zinc/08/23/08/387082308.db2.gz MPLQKXKFKIUBFZ-JTQLQIEISA-N 1 2 225.336 0.243 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CCCOC2)C1 ZINC000418073012 387084507 /nfs/dbraw/zinc/08/45/07/387084507.db2.gz LWABMBMVHOOPOQ-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000066563168 387087842 /nfs/dbraw/zinc/08/78/42/387087842.db2.gz OAYQVELYHGWLMN-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000066563168 387087846 /nfs/dbraw/zinc/08/78/46/387087846.db2.gz OAYQVELYHGWLMN-SECBINFHSA-N 1 2 241.335 0.241 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1(F)F ZINC000359345966 387088945 /nfs/dbraw/zinc/08/89/45/387088945.db2.gz WXYJPDMYTCRCLA-VGMNWLOBSA-N 1 2 248.273 0.334 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1(F)F ZINC000359345966 387088950 /nfs/dbraw/zinc/08/89/50/387088950.db2.gz WXYJPDMYTCRCLA-VGMNWLOBSA-N 1 2 248.273 0.334 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2C[C@H]2C)C1 ZINC000418080618 387089831 /nfs/dbraw/zinc/08/98/31/387089831.db2.gz ZZNNXGGVLOFEGS-RKDXNWHRSA-N 1 2 217.334 0.761 20 0 BCADLO c1[nH]nc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000070786565 387090360 /nfs/dbraw/zinc/09/03/60/387090360.db2.gz WWJFPTGUZRFYDP-UHFFFAOYSA-N 1 2 248.290 0.097 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186476410 387096848 /nfs/dbraw/zinc/09/68/48/387096848.db2.gz RSGHQFUEZDNSJW-CIUDSAMLSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186476410 387096853 /nfs/dbraw/zinc/09/68/53/387096853.db2.gz RSGHQFUEZDNSJW-CIUDSAMLSA-N 1 2 241.291 0.121 20 0 BCADLO Cc1ncccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267657 387099716 /nfs/dbraw/zinc/09/97/16/387099716.db2.gz XKJFAINCHQAITQ-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)N=c1ncnc2[nH][nH]cc1-2 ZINC000359449852 387104483 /nfs/dbraw/zinc/10/44/83/387104483.db2.gz LDECVYJPPBCQSU-QMMMGPOBSA-N 1 2 243.274 0.424 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334196 387105644 /nfs/dbraw/zinc/10/56/44/387105644.db2.gz ZAECVBUWMDRKMT-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334196 387105647 /nfs/dbraw/zinc/10/56/47/387105647.db2.gz ZAECVBUWMDRKMT-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000193382100 387106299 /nfs/dbraw/zinc/10/62/99/387106299.db2.gz CPYHSPWARMWBCE-OCAPTIKFSA-N 1 2 207.281 0.298 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000193382100 387106304 /nfs/dbraw/zinc/10/63/04/387106304.db2.gz CPYHSPWARMWBCE-OCAPTIKFSA-N 1 2 207.281 0.298 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370344114 387108675 /nfs/dbraw/zinc/10/86/75/387108675.db2.gz UVTPFBKPHYEBHB-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1nccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370344114 387108681 /nfs/dbraw/zinc/10/86/81/387108681.db2.gz UVTPFBKPHYEBHB-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO C[N@H+](Cc1csnn1)CC1(CO)CC1 ZINC000188953370 387122673 /nfs/dbraw/zinc/12/26/73/387122673.db2.gz JQWPRFDFQMLJKK-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO C[N@@H+](Cc1csnn1)CC1(CO)CC1 ZINC000188953370 387122676 /nfs/dbraw/zinc/12/26/76/387122676.db2.gz JQWPRFDFQMLJKK-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000336293759 387123969 /nfs/dbraw/zinc/12/39/69/387123969.db2.gz GMUSNQVICGVDMD-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000336293759 387123976 /nfs/dbraw/zinc/12/39/76/387123976.db2.gz GMUSNQVICGVDMD-VIFPVBQESA-N 1 2 249.314 0.993 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000353177476 387149547 /nfs/dbraw/zinc/14/95/47/387149547.db2.gz YKEBKQNCGOYJII-LLVKDONJSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000353177476 387149551 /nfs/dbraw/zinc/14/95/51/387149551.db2.gz YKEBKQNCGOYJII-LLVKDONJSA-N 1 2 224.308 0.672 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371150471 387155325 /nfs/dbraw/zinc/15/53/25/387155325.db2.gz FMZNIZNFEQZVQO-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000353253945 387166870 /nfs/dbraw/zinc/16/68/70/387166870.db2.gz MWQOPUBXYMOYMA-MRVPVSSYSA-N 1 2 228.296 0.602 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000353253945 387166873 /nfs/dbraw/zinc/16/68/73/387166873.db2.gz MWQOPUBXYMOYMA-MRVPVSSYSA-N 1 2 228.296 0.602 20 0 BCADLO COCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571775270 387168468 /nfs/dbraw/zinc/16/84/68/387168468.db2.gz ZNZSPODBQIRSSJ-MRVPVSSYSA-N 1 2 211.265 0.351 20 0 BCADLO COCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571775270 387168471 /nfs/dbraw/zinc/16/84/71/387168471.db2.gz ZNZSPODBQIRSSJ-MRVPVSSYSA-N 1 2 211.265 0.351 20 0 BCADLO CCC[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000359830519 387172187 /nfs/dbraw/zinc/17/21/87/387172187.db2.gz ISHLIIVFCHFLBA-RYUDHWBXSA-N 1 2 240.347 0.871 20 0 BCADLO COC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000058396048 387185117 /nfs/dbraw/zinc/18/51/17/387185117.db2.gz FCJYMRDYOHIGTP-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO COC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000058396048 387185122 /nfs/dbraw/zinc/18/51/22/387185122.db2.gz FCJYMRDYOHIGTP-UHFFFAOYSA-N 1 2 203.282 0.906 20 0 BCADLO CC(C)c1noc(NCC[NH+]2CCOCC2)n1 ZINC000057354002 387132995 /nfs/dbraw/zinc/13/29/95/387132995.db2.gz XLXRAHGBVNAQCV-UHFFFAOYSA-N 1 2 240.307 0.937 20 0 BCADLO Cc1cnn(CCC(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000353108252 387139811 /nfs/dbraw/zinc/13/98/11/387139811.db2.gz QBBXXNHRWRJDNC-UHFFFAOYSA-N 1 2 247.302 0.930 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@@H]1F ZINC000424592948 387202957 /nfs/dbraw/zinc/20/29/57/387202957.db2.gz PDQVKCGGGLZNFO-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO CCn1ncnc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000193274580 387204557 /nfs/dbraw/zinc/20/45/57/387204557.db2.gz YAWWYVPDYOPBAF-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CSC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000352447183 387212119 /nfs/dbraw/zinc/21/21/19/387212119.db2.gz ZNRNXNMDWPDGBE-UHFFFAOYSA-N 1 2 225.317 0.932 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000371518774 387226248 /nfs/dbraw/zinc/22/62/48/387226248.db2.gz SLXKLWCASCRMOZ-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000371518774 387226253 /nfs/dbraw/zinc/22/62/53/387226253.db2.gz SLXKLWCASCRMOZ-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H](CO)O1 ZINC000230012008 387226359 /nfs/dbraw/zinc/22/63/59/387226359.db2.gz CLJSDUXZONPGEP-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H](CO)O1 ZINC000230012008 387226366 /nfs/dbraw/zinc/22/63/66/387226366.db2.gz CLJSDUXZONPGEP-GWCFXTLKSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000230016065 387227228 /nfs/dbraw/zinc/22/72/28/387227228.db2.gz NTPKIYWTUGENML-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000230016065 387227233 /nfs/dbraw/zinc/22/72/33/387227233.db2.gz NTPKIYWTUGENML-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CCO[C@H](CO)C1 ZINC000168534167 387227856 /nfs/dbraw/zinc/22/78/56/387227856.db2.gz KFZLHWMEYNTPBI-JTQLQIEISA-N 1 2 247.298 0.771 20 0 BCADLO Cc1noc([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000353552573 387228489 /nfs/dbraw/zinc/22/84/89/387228489.db2.gz ZBYAOFNSCZWHLK-SECBINFHSA-N 1 2 211.265 0.897 20 0 BCADLO Cc1noc([C@H]2CCCC[N@H+]2CCO)n1 ZINC000353552573 387228494 /nfs/dbraw/zinc/22/84/94/387228494.db2.gz ZBYAOFNSCZWHLK-SECBINFHSA-N 1 2 211.265 0.897 20 0 BCADLO Cc1ccc(C(C)(C)[NH2+]Cc2nnnn2C)cn1 ZINC000353567075 387230573 /nfs/dbraw/zinc/23/05/73/387230573.db2.gz FXEYJOWJKFNCGU-UHFFFAOYSA-N 1 2 246.318 0.938 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2nnc[nH]2)cc[nH+]1 ZINC000371651280 387236543 /nfs/dbraw/zinc/23/65/43/387236543.db2.gz ONNUAANNXLHOMT-ZJUUUORDSA-N 1 2 243.270 0.672 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[C@H]1F ZINC000424655269 387237400 /nfs/dbraw/zinc/23/74/00/387237400.db2.gz ZYQDJOPYTISGRQ-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[C@H]1F ZINC000424655269 387237402 /nfs/dbraw/zinc/23/74/02/387237402.db2.gz ZYQDJOPYTISGRQ-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO Cn1cc[nH+]c1CN1CCN(C2CC2)C(=O)C1 ZINC000336409932 387239048 /nfs/dbraw/zinc/23/90/48/387239048.db2.gz VKXKRNGYUJHMOV-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc[nH]c(=O)c1 ZINC000230177041 387241007 /nfs/dbraw/zinc/24/10/07/387241007.db2.gz VJHRGSIWFGHNQN-VIFPVBQESA-N 1 2 246.270 0.390 20 0 BCADLO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cccn1 ZINC000424667354 387241663 /nfs/dbraw/zinc/24/16/63/387241663.db2.gz QUQKAKSYONTKSL-SNVBAGLBSA-N 1 2 247.302 0.916 20 0 BCADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)n1cccn1 ZINC000424677699 387246027 /nfs/dbraw/zinc/24/60/27/387246027.db2.gz HULQHQQHJMDUEO-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)n1cccn1 ZINC000424677699 387246033 /nfs/dbraw/zinc/24/60/33/387246033.db2.gz HULQHQQHJMDUEO-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO COCc1noc(C[N@H+](CCO)CC2CC2)n1 ZINC000352484628 387249009 /nfs/dbraw/zinc/24/90/09/387249009.db2.gz RPEAXIYBLDYHCW-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO COCc1noc(C[N@@H+](CCO)CC2CC2)n1 ZINC000352484628 387249014 /nfs/dbraw/zinc/24/90/14/387249014.db2.gz RPEAXIYBLDYHCW-UHFFFAOYSA-N 1 2 241.291 0.420 20 0 BCADLO Cn1[nH]c(C[N@H+](C)[C@@H]2CC2(C)C)nc1=O ZINC000336420872 387249685 /nfs/dbraw/zinc/24/96/85/387249685.db2.gz QLRXMQCQBADSRW-SSDOTTSWSA-N 1 2 210.281 0.339 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CC2(C)C)nc1=O ZINC000336420872 387249687 /nfs/dbraw/zinc/24/96/87/387249687.db2.gz QLRXMQCQBADSRW-SSDOTTSWSA-N 1 2 210.281 0.339 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000336485378 387313620 /nfs/dbraw/zinc/31/36/20/387313620.db2.gz XONIIRQSZKJAQP-VXGBXAGGSA-N 1 2 238.331 0.932 20 0 BCADLO CCONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372608010 387315274 /nfs/dbraw/zinc/31/52/74/387315274.db2.gz QJFBQAIBALMPML-QMMMGPOBSA-N 1 2 209.249 0.513 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(N)=O ZINC000285666076 387267095 /nfs/dbraw/zinc/26/70/95/387267095.db2.gz MJJNBFQAOCFNSC-NTSWFWBYSA-N 1 2 229.230 0.884 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000372058343 387269671 /nfs/dbraw/zinc/26/96/71/387269671.db2.gz PTHDBNXOYHPRHI-CABZTGNLSA-N 1 2 235.287 0.463 20 0 BCADLO C[C@H](CF)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336442438 387270774 /nfs/dbraw/zinc/27/07/74/387270774.db2.gz IBWBQQZWAGVHHL-RKDXNWHRSA-N 1 2 240.282 0.855 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000336441966 387270923 /nfs/dbraw/zinc/27/09/23/387270923.db2.gz PAUFDCRBFUSFAR-MNOVXSKESA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000353770208 387272682 /nfs/dbraw/zinc/27/26/82/387272682.db2.gz GJCMZUIMYBOPFC-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000353770208 387272686 /nfs/dbraw/zinc/27/26/86/387272686.db2.gz GJCMZUIMYBOPFC-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]([NH2+]CC(N)=O)c1c(F)cncc1F ZINC000285735775 387283636 /nfs/dbraw/zinc/28/36/36/387283636.db2.gz QBNRFPCGXXSLNM-RXMQYKEDSA-N 1 2 215.203 0.496 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856782 387285169 /nfs/dbraw/zinc/28/51/69/387285169.db2.gz UXTWQWGZKCSUAI-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114856782 387285170 /nfs/dbraw/zinc/28/51/70/387285170.db2.gz UXTWQWGZKCSUAI-ONGXEEELSA-N 1 2 242.319 0.001 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)CC(C)(C)O ZINC000330978978 387290443 /nfs/dbraw/zinc/29/04/43/387290443.db2.gz NAGQCAVAMOMXJV-UHFFFAOYSA-N 1 2 225.292 0.540 20 0 BCADLO C[C@H](C[NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423460941 387308056 /nfs/dbraw/zinc/30/80/56/387308056.db2.gz SEGXYVVYCQLQKB-ZCFIWIBFSA-N 1 2 244.241 0.995 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000515282991 387355732 /nfs/dbraw/zinc/35/57/32/387355732.db2.gz NRIJOOQFFDKVJC-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000515282991 387355737 /nfs/dbraw/zinc/35/57/37/387355737.db2.gz NRIJOOQFFDKVJC-NSHDSACASA-N 1 2 239.363 0.633 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CO1 ZINC000526131678 387358664 /nfs/dbraw/zinc/35/86/64/387358664.db2.gz BAKQNHPUPUGERN-NXEZZACHSA-N 1 2 235.287 0.691 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336541365 387362930 /nfs/dbraw/zinc/36/29/30/387362930.db2.gz HHVHODBZEQSYOL-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336541365 387362935 /nfs/dbraw/zinc/36/29/35/387362935.db2.gz HHVHODBZEQSYOL-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO Cn1cccc1C[NH2+]Cc1cnn(C)n1 ZINC000290097338 387369429 /nfs/dbraw/zinc/36/94/29/387369429.db2.gz JYXKHUFQBFWNHT-UHFFFAOYSA-N 1 2 205.265 0.443 20 0 BCADLO Cc1cccc(CC[N@@H+]2CCO[C@H](C(N)=O)C2)n1 ZINC000515377966 387370159 /nfs/dbraw/zinc/37/01/59/387370159.db2.gz IPMQBFFYKMIRPN-LBPRGKRZSA-N 1 2 249.314 0.119 20 0 BCADLO Cc1cccc(CC[N@H+]2CCO[C@H](C(N)=O)C2)n1 ZINC000515377966 387370164 /nfs/dbraw/zinc/37/01/64/387370164.db2.gz IPMQBFFYKMIRPN-LBPRGKRZSA-N 1 2 249.314 0.119 20 0 BCADLO CO[C@H](C)C[N@H+](Cc1nnnn1C)C(C)C ZINC000354472836 387380263 /nfs/dbraw/zinc/38/02/63/387380263.db2.gz YTXGTICJIDKYOR-SECBINFHSA-N 1 2 227.312 0.455 20 0 BCADLO CO[C@H](C)C[N@@H+](Cc1nnnn1C)C(C)C ZINC000354472836 387380266 /nfs/dbraw/zinc/38/02/66/387380266.db2.gz YTXGTICJIDKYOR-SECBINFHSA-N 1 2 227.312 0.455 20 0 BCADLO C[C@H](CF)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000360608622 387322302 /nfs/dbraw/zinc/32/23/02/387322302.db2.gz VWWQTNNZBNTUKT-BDAKNGLRSA-N 1 2 225.267 0.920 20 0 BCADLO COC(=O)N1CC([NH2+][C@@H](C)c2ncc[nH]2)C1 ZINC000286311751 387324010 /nfs/dbraw/zinc/32/40/10/387324010.db2.gz XNFKYFSYTRMVEW-ZETCQYMHSA-N 1 2 224.264 0.511 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@@H](C)c1nnnn1C)CC2 ZINC000372751780 387324687 /nfs/dbraw/zinc/32/46/87/387324687.db2.gz QHXUSMJBWWITGH-VIFPVBQESA-N 1 2 247.306 0.292 20 0 BCADLO Cc1cn2c([nH+]1)CN([C@H](C)c1nnnn1C)CC2 ZINC000372751777 387325161 /nfs/dbraw/zinc/32/51/61/387325161.db2.gz QHXUSMJBWWITGH-SECBINFHSA-N 1 2 247.306 0.292 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cc[nH]c(=O)c1 ZINC000515083028 387335339 /nfs/dbraw/zinc/33/53/39/387335339.db2.gz XRYYZTCLXZDVAB-SECBINFHSA-N 1 2 246.270 0.861 20 0 BCADLO C[C@@H]([NH2+]Cc1cnn(C)n1)C(=O)NC(C)(C)C ZINC000287353849 387423377 /nfs/dbraw/zinc/42/33/77/387423377.db2.gz XRPLQUZVPPMODR-MRVPVSSYSA-N 1 2 239.323 0.208 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000269714881 387423768 /nfs/dbraw/zinc/42/37/68/387423768.db2.gz RJSJQUYSEYTGMY-QMMMGPOBSA-N 1 2 208.265 0.280 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000269714881 387423770 /nfs/dbraw/zinc/42/37/70/387423770.db2.gz RJSJQUYSEYTGMY-QMMMGPOBSA-N 1 2 208.265 0.280 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCO ZINC000374286633 387436914 /nfs/dbraw/zinc/43/69/14/387436914.db2.gz GTTIBQYPFXLMML-LLVKDONJSA-N 1 2 239.319 0.782 20 0 BCADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCO ZINC000374286633 387436920 /nfs/dbraw/zinc/43/69/20/387436920.db2.gz GTTIBQYPFXLMML-LLVKDONJSA-N 1 2 239.319 0.782 20 0 BCADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000304113776 387438029 /nfs/dbraw/zinc/43/80/29/387438029.db2.gz NNSJLCMXSPADOQ-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000304113776 387438034 /nfs/dbraw/zinc/43/80/34/387438034.db2.gz NNSJLCMXSPADOQ-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701996 387442317 /nfs/dbraw/zinc/44/23/17/387442317.db2.gz XCJWWNHPOTVCEU-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701996 387442323 /nfs/dbraw/zinc/44/23/23/387442323.db2.gz XCJWWNHPOTVCEU-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000515921646 387442456 /nfs/dbraw/zinc/44/24/56/387442456.db2.gz HNWICVFXYBUDPK-MRVPVSSYSA-N 1 2 209.249 0.335 20 0 BCADLO Cc1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000515921646 387442463 /nfs/dbraw/zinc/44/24/63/387442463.db2.gz HNWICVFXYBUDPK-MRVPVSSYSA-N 1 2 209.249 0.335 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000374366711 387445778 /nfs/dbraw/zinc/44/57/78/387445778.db2.gz OQRFMQGEIIREKV-SNVBAGLBSA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000374366711 387445780 /nfs/dbraw/zinc/44/57/80/387445780.db2.gz OQRFMQGEIIREKV-SNVBAGLBSA-N 1 2 239.323 0.722 20 0 BCADLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000162606769 387447727 /nfs/dbraw/zinc/44/77/27/387447727.db2.gz QGCKTDQESVRDRB-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000162606769 387447730 /nfs/dbraw/zinc/44/77/30/387447730.db2.gz QGCKTDQESVRDRB-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2ccncc2)n1 ZINC000354920041 387448770 /nfs/dbraw/zinc/44/87/70/387448770.db2.gz JWYFUVZFXMYYNU-UHFFFAOYSA-N 1 2 233.275 0.820 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000361372682 387449171 /nfs/dbraw/zinc/44/91/71/387449171.db2.gz PUNCXVWWHAGVKT-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000361372682 387449175 /nfs/dbraw/zinc/44/91/75/387449175.db2.gz PUNCXVWWHAGVKT-SNVBAGLBSA-N 1 2 236.319 0.835 20 0 BCADLO CN(C)c1noc(C[NH2+]Cc2cccnc2)n1 ZINC000354927530 387449984 /nfs/dbraw/zinc/44/99/84/387449984.db2.gz RTVQJRMWMCHRPM-UHFFFAOYSA-N 1 2 233.275 0.820 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423922957 387450993 /nfs/dbraw/zinc/45/09/93/387450993.db2.gz KGFBIMZZAJEKCR-BIIVOSGPSA-N 1 2 236.262 0.523 20 0 BCADLO CC(C)(NC(=O)c1ccncn1)c1[nH]cc[nH+]1 ZINC000516075891 387455102 /nfs/dbraw/zinc/45/51/02/387455102.db2.gz IWAWIJAXNROYBJ-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO Cc1oncc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000373638911 387385608 /nfs/dbraw/zinc/38/56/08/387385608.db2.gz NGCUWSDVSNQELX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000373638911 387385613 /nfs/dbraw/zinc/38/56/13/387385613.db2.gz NGCUWSDVSNQELX-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO O=C1[C@@H]([NH+]2CCN(C3CC3)CC2)CCN1C1CC1 ZINC000336568889 387393518 /nfs/dbraw/zinc/39/35/18/387393518.db2.gz LGHWYLXRAZEUPA-ZDUSSCGKSA-N 1 2 249.358 0.530 20 0 BCADLO CN(C)c1noc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000373827199 387398892 /nfs/dbraw/zinc/39/88/92/387398892.db2.gz SDYZIHFYDZTKKE-QMMMGPOBSA-N 1 2 226.280 0.265 20 0 BCADLO CN(C)c1noc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000373827199 387398896 /nfs/dbraw/zinc/39/88/96/387398896.db2.gz SDYZIHFYDZTKKE-QMMMGPOBSA-N 1 2 226.280 0.265 20 0 BCADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000354628275 387407442 /nfs/dbraw/zinc/40/74/42/387407442.db2.gz KXQBIVYJCKPRIG-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000354655594 387411554 /nfs/dbraw/zinc/41/15/54/387411554.db2.gz GSODCDINRWOQEN-SSDOTTSWSA-N 1 2 239.275 0.534 20 0 BCADLO O=C(C[N@@H+]1CCCOCC1)NCC(F)(F)F ZINC000374026211 387412521 /nfs/dbraw/zinc/41/25/21/387412521.db2.gz DIFWOEBKJRNVOR-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO O=C(C[N@H+]1CCCOCC1)NCC(F)(F)F ZINC000374026211 387412523 /nfs/dbraw/zinc/41/25/23/387412523.db2.gz DIFWOEBKJRNVOR-UHFFFAOYSA-N 1 2 240.225 0.387 20 0 BCADLO CCCCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374065260 387416755 /nfs/dbraw/zinc/41/67/55/387416755.db2.gz GHFSEGBGYLIYME-PHIMTYICSA-N 1 2 226.320 0.766 20 0 BCADLO CCCCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374065260 387416762 /nfs/dbraw/zinc/41/67/62/387416762.db2.gz GHFSEGBGYLIYME-PHIMTYICSA-N 1 2 226.320 0.766 20 0 BCADLO Cn1nnc(C[N@H+](C)C2CCCCC2)n1 ZINC000194430910 387417454 /nfs/dbraw/zinc/41/74/54/387417454.db2.gz WSSDKJLAQKYALT-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO Cn1nnc(C[N@@H+](C)C2CCCCC2)n1 ZINC000194430910 387417458 /nfs/dbraw/zinc/41/74/58/387417458.db2.gz WSSDKJLAQKYALT-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO COCc1noc(C[N@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000352657814 387421357 /nfs/dbraw/zinc/42/13/57/387421357.db2.gz HDHNUHAQGBEXEV-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000352657814 387421360 /nfs/dbraw/zinc/42/13/60/387421360.db2.gz HDHNUHAQGBEXEV-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COC(=O)C[N@H+](C)CCC1(O)CCC1 ZINC000396827708 387496784 /nfs/dbraw/zinc/49/67/84/387496784.db2.gz NWRNKFNMOGPNRB-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO COC(=O)C[N@@H+](C)CCC1(O)CCC1 ZINC000396827708 387496787 /nfs/dbraw/zinc/49/67/87/387496787.db2.gz NWRNKFNMOGPNRB-UHFFFAOYSA-N 1 2 201.266 0.396 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396843466 387501786 /nfs/dbraw/zinc/50/17/86/387501786.db2.gz IWYIVGMIIAXEKX-SFYZADRCSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396843465 387501879 /nfs/dbraw/zinc/50/18/79/387501879.db2.gz IWYIVGMIIAXEKX-JGVFFNPUSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000374989048 387502520 /nfs/dbraw/zinc/50/25/20/387502520.db2.gz PIGQBFPXHFRSNW-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000374989048 387502525 /nfs/dbraw/zinc/50/25/25/387502525.db2.gz PIGQBFPXHFRSNW-SNVBAGLBSA-N 1 2 238.291 0.306 20 0 BCADLO CN(CC[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000085771161 387506892 /nfs/dbraw/zinc/50/68/92/387506892.db2.gz BQHOJOBYIMPQIX-UHFFFAOYSA-N 1 2 233.315 0.555 20 0 BCADLO CN(CC[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000085771161 387506894 /nfs/dbraw/zinc/50/68/94/387506894.db2.gz BQHOJOBYIMPQIX-UHFFFAOYSA-N 1 2 233.315 0.555 20 0 BCADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000361614856 387511134 /nfs/dbraw/zinc/51/11/34/387511134.db2.gz HVOHPOSODJNYTH-NSHDSACASA-N 1 2 246.318 0.886 20 0 BCADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nnnn1C ZINC000361614856 387511139 /nfs/dbraw/zinc/51/11/39/387511139.db2.gz HVOHPOSODJNYTH-NSHDSACASA-N 1 2 246.318 0.886 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)OC(C)C ZINC000361640170 387514149 /nfs/dbraw/zinc/51/41/49/387514149.db2.gz SGJDZYZPSQCQPH-SECBINFHSA-N 1 2 231.292 0.821 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OC(C)C ZINC000361640170 387514154 /nfs/dbraw/zinc/51/41/54/387514154.db2.gz SGJDZYZPSQCQPH-SECBINFHSA-N 1 2 231.292 0.821 20 0 BCADLO O=C([C@@H]1C[C@H]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000304848531 387516459 /nfs/dbraw/zinc/51/64/59/387516459.db2.gz PZDFAQZTRNUJDP-NWDGAFQWSA-N 1 2 238.331 0.169 20 0 BCADLO C[N@H+](Cc1ccncc1Cl)[C@@H]1COC[C@H]1O ZINC000352820537 387517182 /nfs/dbraw/zinc/51/71/82/387517182.db2.gz YZKHFUKHPDLRFA-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO C[N@@H+](Cc1ccncc1Cl)[C@@H]1COC[C@H]1O ZINC000352820537 387517187 /nfs/dbraw/zinc/51/71/87/387517187.db2.gz YZKHFUKHPDLRFA-GHMZBOCLSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000192709149 387526535 /nfs/dbraw/zinc/52/65/35/387526535.db2.gz MZBXJZGSYCHCBG-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000192709149 387526537 /nfs/dbraw/zinc/52/65/37/387526537.db2.gz MZBXJZGSYCHCBG-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000192696882 387526820 /nfs/dbraw/zinc/52/68/20/387526820.db2.gz JSTLXSJBLVOJOI-SECBINFHSA-N 1 2 240.307 0.482 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000192696882 387526822 /nfs/dbraw/zinc/52/68/22/387526822.db2.gz JSTLXSJBLVOJOI-SECBINFHSA-N 1 2 240.307 0.482 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000304943246 387528440 /nfs/dbraw/zinc/52/84/40/387528440.db2.gz OKYAXKQMRVVDKZ-UWVGGRQHSA-N 1 2 237.303 0.600 20 0 BCADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1C ZINC000310031215 387531563 /nfs/dbraw/zinc/53/15/63/387531563.db2.gz CHODBUPUBWDCIN-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO C[C@@]1(O)CCC[N@H+](CC2N=NC(=O)S2)CC1 ZINC000375359302 387532007 /nfs/dbraw/zinc/53/20/07/387532007.db2.gz CPPKRBXSCAXSRE-SNVBAGLBSA-N 1 2 243.332 0.981 20 0 BCADLO C[C@@]1(O)CCC[N@@H+](CC2N=NC(=O)S2)CC1 ZINC000375359302 387532012 /nfs/dbraw/zinc/53/20/12/387532012.db2.gz CPPKRBXSCAXSRE-SNVBAGLBSA-N 1 2 243.332 0.981 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355075057 387473964 /nfs/dbraw/zinc/47/39/64/387473964.db2.gz TXXPBXZHVRUOQV-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355075057 387473972 /nfs/dbraw/zinc/47/39/72/387473972.db2.gz TXXPBXZHVRUOQV-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)C[C@H](CO)[N@H+](C)Cc1nnn(C)n1 ZINC000193486281 387542375 /nfs/dbraw/zinc/54/23/75/387542375.db2.gz JXBMHKACXOGUMG-SECBINFHSA-N 1 2 227.312 0.049 20 0 BCADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1nnn(C)n1 ZINC000193486281 387542378 /nfs/dbraw/zinc/54/23/78/387542378.db2.gz JXBMHKACXOGUMG-SECBINFHSA-N 1 2 227.312 0.049 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)s1 ZINC000352789635 387484044 /nfs/dbraw/zinc/48/40/44/387484044.db2.gz CMFMIAUOPLETRC-BDAKNGLRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2COC[C@@H]2O)s1 ZINC000352789635 387484047 /nfs/dbraw/zinc/48/40/47/387484047.db2.gz CMFMIAUOPLETRC-BDAKNGLRSA-N 1 2 228.317 0.643 20 0 BCADLO COC(=O)[C@@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374708761 387484723 /nfs/dbraw/zinc/48/47/23/387484723.db2.gz CIGPEOKDLDHXMK-SECBINFHSA-N 1 2 223.276 0.569 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000355163279 387488846 /nfs/dbraw/zinc/48/88/46/387488846.db2.gz IOLWWGZLZAPBJO-RKDXNWHRSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000355163279 387488850 /nfs/dbraw/zinc/48/88/50/387488850.db2.gz IOLWWGZLZAPBJO-RKDXNWHRSA-N 1 2 207.281 0.585 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@@H]2O)c(C)s1 ZINC000352797948 387488889 /nfs/dbraw/zinc/48/88/89/387488889.db2.gz WQMGQPFCIJVSAX-QWRGUYRKSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@@H]2O)c(C)s1 ZINC000352797948 387488893 /nfs/dbraw/zinc/48/88/93/387488893.db2.gz WQMGQPFCIJVSAX-QWRGUYRKSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000355172498 387491929 /nfs/dbraw/zinc/49/19/29/387491929.db2.gz OLTSXRRGDOUPEY-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000355172498 387491934 /nfs/dbraw/zinc/49/19/34/387491934.db2.gz OLTSXRRGDOUPEY-BXKDBHETSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnc[nH]1 ZINC000361561720 387492260 /nfs/dbraw/zinc/49/22/60/387492260.db2.gz GFFRXKXXZCSJBX-ONGXEEELSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnc[nH]1 ZINC000361561720 387492265 /nfs/dbraw/zinc/49/22/65/387492265.db2.gz GFFRXKXXZCSJBX-ONGXEEELSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnc[nH]1 ZINC000361561717 387492508 /nfs/dbraw/zinc/49/25/08/387492508.db2.gz GFFRXKXXZCSJBX-KOLCDFICSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnc[nH]1 ZINC000361561717 387492512 /nfs/dbraw/zinc/49/25/12/387492512.db2.gz GFFRXKXXZCSJBX-KOLCDFICSA-N 1 2 225.292 0.381 20 0 BCADLO COCC[N@H+](CC(=O)N(C)C)CC1(F)CC1 ZINC000527510118 387586301 /nfs/dbraw/zinc/58/63/01/387586301.db2.gz PDMDTAJZSAJUQO-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@@H+](CC(=O)N(C)C)CC1(F)CC1 ZINC000527510118 387586303 /nfs/dbraw/zinc/58/63/03/387586303.db2.gz PDMDTAJZSAJUQO-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375949770 387596087 /nfs/dbraw/zinc/59/60/87/387596087.db2.gz YQUADZQHXCBTLR-KCWFYHRYSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375949770 387596091 /nfs/dbraw/zinc/59/60/91/387596091.db2.gz YQUADZQHXCBTLR-KCWFYHRYSA-N 1 2 246.376 0.164 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000527524671 387596086 /nfs/dbraw/zinc/59/60/86/387596086.db2.gz GTXYBZLOHSWACB-MRVPVSSYSA-N 1 2 236.312 0.241 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000527524671 387596090 /nfs/dbraw/zinc/59/60/90/387596090.db2.gz GTXYBZLOHSWACB-MRVPVSSYSA-N 1 2 236.312 0.241 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1CC1 ZINC000355946888 387596764 /nfs/dbraw/zinc/59/67/64/387596764.db2.gz RCQSSLSVPFKPMX-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1CC1 ZINC000355946888 387596765 /nfs/dbraw/zinc/59/67/65/387596765.db2.gz RCQSSLSVPFKPMX-ONGXEEELSA-N 1 2 226.320 0.764 20 0 BCADLO O=C1C[N@H+](C[C@H]2CCOc3ccccc32)CCN1 ZINC000362380680 387604837 /nfs/dbraw/zinc/60/48/37/387604837.db2.gz QSFMUXXKPDCXID-LLVKDONJSA-N 1 2 246.310 0.985 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CCOc3ccccc32)CCN1 ZINC000362380680 387604841 /nfs/dbraw/zinc/60/48/41/387604841.db2.gz QSFMUXXKPDCXID-LLVKDONJSA-N 1 2 246.310 0.985 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000124212503 387608026 /nfs/dbraw/zinc/60/80/26/387608026.db2.gz IIVWSHAGQSBINH-NWDGAFQWSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000124212503 387608028 /nfs/dbraw/zinc/60/80/28/387608028.db2.gz IIVWSHAGQSBINH-NWDGAFQWSA-N 1 2 249.314 0.478 20 0 BCADLO CON(C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000376317693 387621386 /nfs/dbraw/zinc/62/13/86/387621386.db2.gz BDHFJZJAURLTBC-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000376317693 387621389 /nfs/dbraw/zinc/62/13/89/387621389.db2.gz BDHFJZJAURLTBC-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1nncs1 ZINC000527532886 387622453 /nfs/dbraw/zinc/62/24/53/387622453.db2.gz PRPGSMDGAVXVBB-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nncs1 ZINC000527532886 387622455 /nfs/dbraw/zinc/62/24/55/387622455.db2.gz PRPGSMDGAVXVBB-SSDOTTSWSA-N 1 2 226.305 0.314 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](CO)C2)ccn1 ZINC000527533654 387625751 /nfs/dbraw/zinc/62/57/51/387625751.db2.gz IYPMMSFESLHRRK-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](CO)C2)ccn1 ZINC000527533654 387625756 /nfs/dbraw/zinc/62/57/56/387625756.db2.gz IYPMMSFESLHRRK-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000426238470 387551175 /nfs/dbraw/zinc/55/11/75/387551175.db2.gz LLQBXHLDCCNAQQ-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000426238470 387551178 /nfs/dbraw/zinc/55/11/78/387551178.db2.gz LLQBXHLDCCNAQQ-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573607 387553952 /nfs/dbraw/zinc/55/39/52/387553952.db2.gz WVSOKOSPTZPYSG-LDYMZIIASA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573607 387553955 /nfs/dbraw/zinc/55/39/55/387553955.db2.gz WVSOKOSPTZPYSG-LDYMZIIASA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573603 387554601 /nfs/dbraw/zinc/55/46/01/387554601.db2.gz WVSOKOSPTZPYSG-GZMMTYOYSA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573603 387554605 /nfs/dbraw/zinc/55/46/05/387554605.db2.gz WVSOKOSPTZPYSG-GZMMTYOYSA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573604 387554639 /nfs/dbraw/zinc/55/46/39/387554639.db2.gz WVSOKOSPTZPYSG-KCJUWKMLSA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573604 387554645 /nfs/dbraw/zinc/55/46/45/387554645.db2.gz WVSOKOSPTZPYSG-KCJUWKMLSA-N 1 2 242.275 0.122 20 0 BCADLO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193488690 387555986 /nfs/dbraw/zinc/55/59/86/387555986.db2.gz HSRJUUUYPQRYCI-GXSJLCMTSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193488690 387555988 /nfs/dbraw/zinc/55/59/88/387555988.db2.gz HSRJUUUYPQRYCI-GXSJLCMTSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1c2nncn2CC[N@H+]1CCn1cccn1 ZINC000361986361 387559345 /nfs/dbraw/zinc/55/93/45/387559345.db2.gz QDEUOEAHYSDWFI-JTQLQIEISA-N 1 2 232.291 0.551 20 0 BCADLO C[C@H]1c2nncn2CC[N@@H+]1CCn1cccn1 ZINC000361986361 387559349 /nfs/dbraw/zinc/55/93/49/387559349.db2.gz QDEUOEAHYSDWFI-JTQLQIEISA-N 1 2 232.291 0.551 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000362071650 387566668 /nfs/dbraw/zinc/56/66/68/387566668.db2.gz JFARHWDOJBSFKH-UWVGGRQHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](O)CCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000362071650 387566669 /nfs/dbraw/zinc/56/66/69/387566669.db2.gz JFARHWDOJBSFKH-UWVGGRQHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cncnc1 ZINC000362071639 387567530 /nfs/dbraw/zinc/56/75/30/387567530.db2.gz ZJOXJETUEJWDMR-PSLIRLAXSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cncnc1 ZINC000362071639 387567537 /nfs/dbraw/zinc/56/75/37/387567537.db2.gz ZJOXJETUEJWDMR-PSLIRLAXSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000362071652 387568049 /nfs/dbraw/zinc/56/80/49/387568049.db2.gz JFARHWDOJBSFKH-ZJUUUORDSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000362071652 387568053 /nfs/dbraw/zinc/56/80/53/387568053.db2.gz JFARHWDOJBSFKH-ZJUUUORDSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000527473925 387570597 /nfs/dbraw/zinc/57/05/97/387570597.db2.gz OSNQGGILEYOCEV-DTORHVGOSA-N 1 2 207.277 0.972 20 0 BCADLO COC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362087920 387571735 /nfs/dbraw/zinc/57/17/35/387571735.db2.gz OHXLEZCCSNEKHR-RKDXNWHRSA-N 1 2 233.333 0.391 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000362085497 387572006 /nfs/dbraw/zinc/57/20/06/387572006.db2.gz HHFNNDCKTUSDJA-QWRGUYRKSA-N 1 2 222.292 0.568 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000362085497 387572014 /nfs/dbraw/zinc/57/20/14/387572014.db2.gz HHFNNDCKTUSDJA-QWRGUYRKSA-N 1 2 222.292 0.568 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccncc2Cl)C1 ZINC000399838703 387572480 /nfs/dbraw/zinc/57/24/80/387572480.db2.gz FCHHSSJUWQBBDX-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000399838703 387572483 /nfs/dbraw/zinc/57/24/83/387572483.db2.gz FCHHSSJUWQBBDX-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399887631 387574748 /nfs/dbraw/zinc/57/47/48/387574748.db2.gz 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CCNC(=O)C[N@@H+](CC)[C@@H](CC)C(=O)OCC ZINC000084120704 388072325 /nfs/dbraw/zinc/07/23/25/388072325.db2.gz BHLZWFOMRLLHOG-JTQLQIEISA-N 1 2 244.335 0.786 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)NC2CC2)CCO1 ZINC000195118490 388098357 /nfs/dbraw/zinc/09/83/57/388098357.db2.gz DKORSZFAMIKXDV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)NC2CC2)CCO1 ZINC000195118490 388098361 /nfs/dbraw/zinc/09/83/61/388098361.db2.gz DKORSZFAMIKXDV-UHFFFAOYSA-N 1 2 241.335 0.559 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447872573 388099576 /nfs/dbraw/zinc/09/95/76/388099576.db2.gz PFIFPNQZECPUJT-QMMMGPOBSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447872573 388099578 /nfs/dbraw/zinc/09/95/78/388099578.db2.gz PFIFPNQZECPUJT-QMMMGPOBSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000440499445 388045601 /nfs/dbraw/zinc/04/56/01/388045601.db2.gz NMISWUDTHSBONI-XHNCKOQMSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000440499445 388045607 /nfs/dbraw/zinc/04/56/07/388045607.db2.gz NMISWUDTHSBONI-XHNCKOQMSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@@H]1COCCN1c1[nH+]cnc2c1cnn2C ZINC000172281860 388156033 /nfs/dbraw/zinc/15/60/33/388156033.db2.gz JIKGTKRGYLHLEN-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO O=C(CC1(O)CCC1)NCCNc1cccc[nH+]1 ZINC000449249945 388162772 /nfs/dbraw/zinc/16/27/72/388162772.db2.gz NQOKCJWYJPRADV-UHFFFAOYSA-N 1 2 249.314 0.915 20 0 BCADLO Cc1nocc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000646201911 388163337 /nfs/dbraw/zinc/16/33/37/388163337.db2.gz AHZQBKYGPWFZCL-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nocc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000646201911 388163339 /nfs/dbraw/zinc/16/33/39/388163339.db2.gz AHZQBKYGPWFZCL-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO COC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000449274096 388165668 /nfs/dbraw/zinc/16/56/68/388165668.db2.gz ASMKAJVAAILMOZ-VGMNWLOBSA-N 1 2 233.333 0.516 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccoc1)[C@H](C)O ZINC000449271803 388165873 /nfs/dbraw/zinc/16/58/73/388165873.db2.gz UQBYJOVTOGSGNN-WCABBAIRSA-N 1 2 241.287 0.723 20 0 BCADLO Cn1nccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258048 388171983 /nfs/dbraw/zinc/17/19/83/388171983.db2.gz ZYMGTFHNZBCAST-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO Cn1nccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258048 388171984 /nfs/dbraw/zinc/17/19/84/388171984.db2.gz ZYMGTFHNZBCAST-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260848 388172175 /nfs/dbraw/zinc/17/21/75/388172175.db2.gz MTDSSAKDOCGRIP-JGVFFNPUSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260848 388172176 /nfs/dbraw/zinc/17/21/76/388172176.db2.gz MTDSSAKDOCGRIP-JGVFFNPUSA-N 1 2 205.261 0.950 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260983 388173328 /nfs/dbraw/zinc/17/33/28/388173328.db2.gz VVJQYMFNUBIHKC-IUCAKERBSA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260983 388173329 /nfs/dbraw/zinc/17/33/29/388173329.db2.gz VVJQYMFNUBIHKC-IUCAKERBSA-N 1 2 235.287 0.719 20 0 BCADLO CC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456196118 388185121 /nfs/dbraw/zinc/18/51/21/388185121.db2.gz BULGPCBPTTZGLH-PHIMTYICSA-N 1 2 238.331 0.766 20 0 BCADLO CC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456196118 388185124 /nfs/dbraw/zinc/18/51/24/388185124.db2.gz BULGPCBPTTZGLH-PHIMTYICSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456216989 388185362 /nfs/dbraw/zinc/18/53/62/388185362.db2.gz PDIWMMDZZQANSC-PHIMTYICSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456216989 388185365 /nfs/dbraw/zinc/18/53/65/388185365.db2.gz PDIWMMDZZQANSC-PHIMTYICSA-N 1 2 224.304 0.376 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC1(F)F ZINC000448906017 388119111 /nfs/dbraw/zinc/11/91/11/388119111.db2.gz DQUPCXCDLYRDJM-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC1(F)F ZINC000448906017 388119113 /nfs/dbraw/zinc/11/91/13/388119113.db2.gz DQUPCXCDLYRDJM-BDAKNGLRSA-N 1 2 248.273 0.479 20 0 BCADLO CCC[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036422 388129792 /nfs/dbraw/zinc/12/97/92/388129792.db2.gz CQTPJJOIKOUBOK-JTQLQIEISA-N 1 2 233.333 0.286 20 0 BCADLO CCC[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036422 388129795 /nfs/dbraw/zinc/12/97/95/388129795.db2.gz CQTPJJOIKOUBOK-JTQLQIEISA-N 1 2 233.333 0.286 20 0 BCADLO CC(C)C[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036542 388130422 /nfs/dbraw/zinc/13/04/22/388130422.db2.gz JZTFSHGKBBLYIN-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CC(C)C[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036542 388130424 /nfs/dbraw/zinc/13/04/24/388130424.db2.gz JZTFSHGKBBLYIN-LLVKDONJSA-N 1 2 247.360 0.532 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC000646044315 388130634 /nfs/dbraw/zinc/13/06/34/388130634.db2.gz DLSKNCMQPZPMIS-HTQZYQBOSA-N 1 2 229.305 0.350 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000646045719 388131892 /nfs/dbraw/zinc/13/18/92/388131892.db2.gz FBXVOMZNIWZTMZ-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cc(C)n(C)n1 ZINC000646045719 388131893 /nfs/dbraw/zinc/13/18/93/388131893.db2.gz FBXVOMZNIWZTMZ-UHFFFAOYSA-N 1 2 224.308 0.296 20 0 BCADLO Cc1cc(NCC2(CO)CCOCC2)nc[nH+]1 ZINC000164059215 388140920 /nfs/dbraw/zinc/14/09/20/388140920.db2.gz AVQKMWTUWHSXKZ-UHFFFAOYSA-N 1 2 237.303 0.986 20 0 BCADLO OCc1cc[nH+]c(N2C[C@@H](O)CC(F)(F)C2)c1 ZINC000641526874 388151158 /nfs/dbraw/zinc/15/11/58/388151158.db2.gz WDLVNWJNOJMDLP-VIFPVBQESA-N 1 2 244.241 0.780 20 0 BCADLO CCCN(CC(N)=O)c1[nH+]c(C)nc2[nH]ccc21 ZINC000488750149 388193512 /nfs/dbraw/zinc/19/35/12/388193512.db2.gz NJEGTPQSWDEIQV-UHFFFAOYSA-N 1 2 247.302 0.968 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1C)C1COC1 ZINC000449423073 388202042 /nfs/dbraw/zinc/20/20/42/388202042.db2.gz GFEXPYSBJPASIC-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1C)C1COC1 ZINC000449423073 388202045 /nfs/dbraw/zinc/20/20/45/388202045.db2.gz GFEXPYSBJPASIC-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@H+](Cc1cnc(N(C)C)nc1)C1COC1 ZINC000449427332 388202476 /nfs/dbraw/zinc/20/24/76/388202476.db2.gz RXFPPKCNCNIZSP-UHFFFAOYSA-N 1 2 236.319 0.763 20 0 BCADLO CC[N@@H+](Cc1cnc(N(C)C)nc1)C1COC1 ZINC000449427332 388202479 /nfs/dbraw/zinc/20/24/79/388202479.db2.gz RXFPPKCNCNIZSP-UHFFFAOYSA-N 1 2 236.319 0.763 20 0 BCADLO Cc1nc(N(C)C)nc(-n2cc[nH+]c2)n1 ZINC000489547103 388220957 /nfs/dbraw/zinc/22/09/57/388220957.db2.gz GVNSNEYLJKYDEC-UHFFFAOYSA-N 1 2 204.237 0.432 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)C2CCC2)c[nH+]1 ZINC000456868766 388229048 /nfs/dbraw/zinc/22/90/48/388229048.db2.gz MVCSCHNMCJXYAC-JTQLQIEISA-N 1 2 223.276 0.609 20 0 BCADLO CC(C)CCOCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639073 388286749 /nfs/dbraw/zinc/28/67/49/388286749.db2.gz JUUSMVSBLYOPNA-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCOCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639073 388286751 /nfs/dbraw/zinc/28/67/51/388286751.db2.gz JUUSMVSBLYOPNA-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CCCCOCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639350 388287007 /nfs/dbraw/zinc/28/70/07/388287007.db2.gz LGNDOFDVDLTQSU-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCOCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639350 388287008 /nfs/dbraw/zinc/28/70/08/388287008.db2.gz LGNDOFDVDLTQSU-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO COC(=O)N(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000491341996 388287109 /nfs/dbraw/zinc/28/71/09/388287109.db2.gz MDIKNVWZYQDEOS-UHFFFAOYSA-N 1 2 240.263 0.066 20 0 BCADLO COC(=O)c1n[nH]c2c1C[N@H+](CCCF)CC2 ZINC000451739306 388292620 /nfs/dbraw/zinc/29/26/20/388292620.db2.gz TYFNIGHLJIGHGX-UHFFFAOYSA-N 1 2 241.266 0.914 20 0 BCADLO COC(=O)c1n[nH]c2c1C[N@@H+](CCCF)CC2 ZINC000451739306 388292621 /nfs/dbraw/zinc/29/26/21/388292621.db2.gz TYFNIGHLJIGHGX-UHFFFAOYSA-N 1 2 241.266 0.914 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451779988 388295431 /nfs/dbraw/zinc/29/54/31/388295431.db2.gz MKLYTLKQYMDMRU-SECBINFHSA-N 1 2 241.339 0.439 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451779988 388295432 /nfs/dbraw/zinc/29/54/32/388295432.db2.gz MKLYTLKQYMDMRU-SECBINFHSA-N 1 2 241.339 0.439 20 0 BCADLO CSC[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451825009 388298901 /nfs/dbraw/zinc/29/89/01/388298901.db2.gz CTYHOKHPBMMUBY-JGVFFNPUSA-N 1 2 243.319 0.658 20 0 BCADLO CSC[C@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451825009 388298902 /nfs/dbraw/zinc/29/89/02/388298902.db2.gz CTYHOKHPBMMUBY-JGVFFNPUSA-N 1 2 243.319 0.658 20 0 BCADLO CCOC(=O)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451830057 388298947 /nfs/dbraw/zinc/29/89/47/388298947.db2.gz HBIFSLNPIDUGRR-MRVPVSSYSA-N 1 2 239.262 0.888 20 0 BCADLO CCOC(=O)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451830057 388298948 /nfs/dbraw/zinc/29/89/48/388298948.db2.gz HBIFSLNPIDUGRR-MRVPVSSYSA-N 1 2 239.262 0.888 20 0 BCADLO COC(=O)CCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451848299 388300830 /nfs/dbraw/zinc/30/08/30/388300830.db2.gz ILFRAOCSMRQTOQ-MRVPVSSYSA-N 1 2 239.262 0.888 20 0 BCADLO COC(=O)CCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451848299 388300832 /nfs/dbraw/zinc/30/08/32/388300832.db2.gz ILFRAOCSMRQTOQ-MRVPVSSYSA-N 1 2 239.262 0.888 20 0 BCADLO COC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000491719494 388314580 /nfs/dbraw/zinc/31/45/80/388314580.db2.gz VGXQNSMKAQZGQB-UHFFFAOYSA-N 1 2 236.275 0.673 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1cc[nH]n1 ZINC000514458999 256605189 /nfs/dbraw/zinc/60/51/89/256605189.db2.gz NJXCRGLKFZBGQT-UHFFFAOYSA-N 1 2 234.263 0.106 20 0 BCADLO O=C(/C=C\C1CCOCC1)NCCn1cc[nH+]c1 ZINC000491790781 388321289 /nfs/dbraw/zinc/32/12/89/388321289.db2.gz BDAQETHSOBIELA-UPHRSURJSA-N 1 2 249.314 0.982 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/C1CC1 ZINC000491951614 388329286 /nfs/dbraw/zinc/32/92/86/388329286.db2.gz XIBPJBQRNAIWBO-ZWNMCFTASA-N 1 2 238.331 0.790 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/C1CC1 ZINC000491951614 388329287 /nfs/dbraw/zinc/32/92/87/388329287.db2.gz XIBPJBQRNAIWBO-ZWNMCFTASA-N 1 2 238.331 0.790 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451442273 388273811 /nfs/dbraw/zinc/27/38/11/388273811.db2.gz VDHMGUVWJCOMGE-HZGVNTEJSA-N 1 2 223.219 0.250 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451442273 388273812 /nfs/dbraw/zinc/27/38/12/388273812.db2.gz VDHMGUVWJCOMGE-HZGVNTEJSA-N 1 2 223.219 0.250 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCCOC ZINC000492297037 388340617 /nfs/dbraw/zinc/34/06/17/388340617.db2.gz QILPHNWPADRSCO-PLNGDYQASA-N 1 2 223.276 0.679 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](O)C1 ZINC000492316358 388341168 /nfs/dbraw/zinc/34/11/68/388341168.db2.gz GTPHFEPIGINTPM-FSIBCCDJSA-N 1 2 235.287 0.509 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(CCO)C1 ZINC000492346363 388342265 /nfs/dbraw/zinc/34/22/65/388342265.db2.gz TXZNINWWGJGLMD-ONEGZZNKSA-N 1 2 249.314 0.757 20 0 BCADLO Cn1cnc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000646426188 388356217 /nfs/dbraw/zinc/35/62/17/388356217.db2.gz CDCHWROWAHRRJV-UHFFFAOYSA-N 1 2 234.263 0.431 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC1(CCO)CC1 ZINC000646424512 388356283 /nfs/dbraw/zinc/35/62/83/388356283.db2.gz HDFHGBOVCGHXJA-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cn(C2CCC2)nn1 ZINC000648791492 388359702 /nfs/dbraw/zinc/35/97/02/388359702.db2.gz AIIMLJRZNLQRHI-UHFFFAOYSA-N 1 2 246.274 0.656 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cn(C2CCC2)nn1 ZINC000648791492 388359704 /nfs/dbraw/zinc/35/97/04/388359704.db2.gz AIIMLJRZNLQRHI-UHFFFAOYSA-N 1 2 246.274 0.656 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000235141835 388364847 /nfs/dbraw/zinc/36/48/47/388364847.db2.gz NLXAUYQDTYRAMK-LURJTMIESA-N 1 2 203.192 0.653 20 0 BCADLO Nc1[nH+]cnc(N2CCC(O)CC2)c1Cl ZINC000227842533 388372296 /nfs/dbraw/zinc/37/22/96/388372296.db2.gz PPEJJIMFJGMVDU-UHFFFAOYSA-N 1 2 228.683 0.673 20 0 BCADLO Nc1nc[nH+]c(N2CCC(O)CC2)c1Cl ZINC000227842533 388372299 /nfs/dbraw/zinc/37/22/99/388372299.db2.gz PPEJJIMFJGMVDU-UHFFFAOYSA-N 1 2 228.683 0.673 20 0 BCADLO Cc1ccc(C[NH2+]Cc2nnn(C)n2)s1 ZINC000235896602 388375736 /nfs/dbraw/zinc/37/57/36/388375736.db2.gz UQXLMBSSRTUVDZ-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO Nc1[nH+]cnc(NCCOCCO)c1Cl ZINC000236361157 388379146 /nfs/dbraw/zinc/37/91/46/388379146.db2.gz UREZUXSYSLOEEU-UHFFFAOYSA-N 1 2 232.671 0.133 20 0 BCADLO Nc1nc[nH+]c(NCCOCCO)c1Cl ZINC000236361157 388379149 /nfs/dbraw/zinc/37/91/49/388379149.db2.gz UREZUXSYSLOEEU-UHFFFAOYSA-N 1 2 232.671 0.133 20 0 BCADLO CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC)CCO1 ZINC000236931217 388386998 /nfs/dbraw/zinc/38/69/98/388386998.db2.gz BFUGSWJMENAWFU-ZJUUUORDSA-N 1 2 214.309 0.751 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229573867 388393614 /nfs/dbraw/zinc/39/36/14/388393614.db2.gz CTAOIRGTXPPPFU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229573867 388393615 /nfs/dbraw/zinc/39/36/15/388393615.db2.gz CTAOIRGTXPPPFU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO C[C@@H]1OCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000134267470 388396947 /nfs/dbraw/zinc/39/69/47/388396947.db2.gz AWEBJBSMVQIVFV-IONNQARKSA-N 1 2 233.275 0.953 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NCCO ZINC000492258963 388339653 /nfs/dbraw/zinc/33/96/53/388339653.db2.gz ISHMVOZMNLEKPA-ONEGZZNKSA-N 1 2 209.249 0.025 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000308497262 388440296 /nfs/dbraw/zinc/44/02/96/388440296.db2.gz DTPGWDMIWYVNFE-HLTSFMKQSA-N 1 2 203.282 0.951 20 0 BCADLO O=C1CC[C@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000525978607 388441658 /nfs/dbraw/zinc/44/16/58/388441658.db2.gz GLJNAMIQGSHHOO-VIFPVBQESA-N 1 2 212.268 0.795 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000525978607 388441661 /nfs/dbraw/zinc/44/16/61/388441661.db2.gz GLJNAMIQGSHHOO-VIFPVBQESA-N 1 2 212.268 0.795 20 0 BCADLO CCCC[C@@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OC ZINC000322631703 388441766 /nfs/dbraw/zinc/44/17/66/388441766.db2.gz RGJFUJNXLYDFOI-NXEZZACHSA-N 1 2 244.335 0.832 20 0 BCADLO CCCC[C@@H]([NH2+][C@@H](C)CC(=O)NC)C(=O)OC ZINC000322631705 388441933 /nfs/dbraw/zinc/44/19/33/388441933.db2.gz RGJFUJNXLYDFOI-VHSXEESVSA-N 1 2 244.335 0.832 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC000330667669 388443901 /nfs/dbraw/zinc/44/39/01/388443901.db2.gz BVGUMDZCPOTJEM-SNVBAGLBSA-N 1 2 225.292 0.264 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](C(N)=O)O1 ZINC000525980011 388444795 /nfs/dbraw/zinc/44/47/95/388444795.db2.gz DZQFVOYSVUKPQJ-SFYZADRCSA-N 1 2 216.256 0.063 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C(N)=O)O1 ZINC000525980011 388444797 /nfs/dbraw/zinc/44/47/97/388444797.db2.gz DZQFVOYSVUKPQJ-SFYZADRCSA-N 1 2 216.256 0.063 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000528368974 388451392 /nfs/dbraw/zinc/45/13/92/388451392.db2.gz XGXHBKBLAKXPLR-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000528368974 388451394 /nfs/dbraw/zinc/45/13/94/388451394.db2.gz XGXHBKBLAKXPLR-NSHDSACASA-N 1 2 235.287 0.076 20 0 BCADLO COC(=O)[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000526001776 388454082 /nfs/dbraw/zinc/45/40/82/388454082.db2.gz BMUFCJIHMRGSLL-PUSIOWJLSA-N 1 2 242.319 0.585 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)nn1 ZINC000515867599 256758616 /nfs/dbraw/zinc/75/86/16/256758616.db2.gz NSRAVDDKPAJHRI-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO Cc1cnc(NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000174688414 388410413 /nfs/dbraw/zinc/41/04/13/388410413.db2.gz SNCCLGWNYIQZRN-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1cnc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000174688414 388410415 /nfs/dbraw/zinc/41/04/15/388410415.db2.gz SNCCLGWNYIQZRN-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@H](CO)C2)nc1 ZINC000339014444 388478884 /nfs/dbraw/zinc/47/88/84/388478884.db2.gz SSQXFGHVQMOYRD-ZDUSSCGKSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@H](CO)C2)nc1 ZINC000339014444 388478886 /nfs/dbraw/zinc/47/88/86/388478886.db2.gz SSQXFGHVQMOYRD-ZDUSSCGKSA-N 1 2 236.315 0.837 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)oc1C ZINC000573060804 388414608 /nfs/dbraw/zinc/41/46/08/388414608.db2.gz RQXHVYRGXSDFDC-MNOVXSKESA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)oc1C ZINC000573060804 388414610 /nfs/dbraw/zinc/41/46/10/388414610.db2.gz RQXHVYRGXSDFDC-MNOVXSKESA-N 1 2 240.303 0.467 20 0 BCADLO C[C@H](CC(=O)NCc1nccn1C)n1cc[nH+]c1 ZINC000573095655 388420156 /nfs/dbraw/zinc/42/01/56/388420156.db2.gz FRQNMZWGHBSLHU-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245550997 388423532 /nfs/dbraw/zinc/42/35/32/388423532.db2.gz PFCKVPYPOBIBFL-GHMZBOCLSA-N 1 2 238.335 0.798 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245550997 388423535 /nfs/dbraw/zinc/42/35/35/388423535.db2.gz PFCKVPYPOBIBFL-GHMZBOCLSA-N 1 2 238.335 0.798 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000308205422 388433920 /nfs/dbraw/zinc/43/39/20/388433920.db2.gz YKYDYFQXJUYTDA-PRJMDXOYSA-N 1 2 203.307 0.889 20 0 BCADLO CO[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)C ZINC000548431961 388538734 /nfs/dbraw/zinc/53/87/34/388538734.db2.gz OWATZDVUHPBZOJ-LLVKDONJSA-N 1 2 237.303 0.937 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528519649 388540535 /nfs/dbraw/zinc/54/05/35/388540535.db2.gz VHBZBXKKKQYABI-SECBINFHSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528519649 388540537 /nfs/dbraw/zinc/54/05/37/388540537.db2.gz VHBZBXKKKQYABI-SECBINFHSA-N 1 2 242.706 0.928 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000548460995 388540926 /nfs/dbraw/zinc/54/09/26/388540926.db2.gz NKXBOVPWQRMJLN-AAEUAGOBSA-N 1 2 249.314 0.505 20 0 BCADLO CC(C)C[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353724431 388542577 /nfs/dbraw/zinc/54/25/77/388542577.db2.gz MBWFIQVGBSQTLQ-QMMMGPOBSA-N 1 2 237.307 0.063 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC000517231928 388543343 /nfs/dbraw/zinc/54/33/43/388543343.db2.gz NQZLEUCJTPAKMF-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC000517231928 388543345 /nfs/dbraw/zinc/54/33/45/388543345.db2.gz NQZLEUCJTPAKMF-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO COCCCNC(=O)Cc1c[nH+]cn1C ZINC000548520158 388545744 /nfs/dbraw/zinc/54/57/44/388545744.db2.gz XDQPQZOGYYFDCO-UHFFFAOYSA-N 1 2 211.265 0.115 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000548586417 388547376 /nfs/dbraw/zinc/54/73/76/388547376.db2.gz KIWNOTLVQPWQMN-MWLCHTKSSA-N 1 2 239.319 0.486 20 0 BCADLO CC[N@H+](CCO)Cc1coc(S(C)(=O)=O)c1 ZINC000528373139 388499452 /nfs/dbraw/zinc/49/94/52/388499452.db2.gz RLRYPLVQURZFOI-UHFFFAOYSA-N 1 2 247.316 0.497 20 0 BCADLO CC[N@@H+](CCO)Cc1coc(S(C)(=O)=O)c1 ZINC000528373139 388499454 /nfs/dbraw/zinc/49/94/54/388499454.db2.gz RLRYPLVQURZFOI-UHFFFAOYSA-N 1 2 247.316 0.497 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135658399 388504304 /nfs/dbraw/zinc/50/43/04/388504304.db2.gz IEDMDBPBNMXFJI-LLVKDONJSA-N 1 2 214.309 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135658399 388504306 /nfs/dbraw/zinc/50/43/06/388504306.db2.gz IEDMDBPBNMXFJI-LLVKDONJSA-N 1 2 214.309 0.623 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)[nH]1 ZINC000548115008 388514714 /nfs/dbraw/zinc/51/47/14/388514714.db2.gz CZFGTKCVXQCIBK-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)[nH]1 ZINC000548115008 388514716 /nfs/dbraw/zinc/51/47/16/388514716.db2.gz CZFGTKCVXQCIBK-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000345799221 388515331 /nfs/dbraw/zinc/51/53/31/388515331.db2.gz JSVZODMOSUCZGU-NSHDSACASA-N 1 2 239.319 0.654 20 0 BCADLO Cc1nnccc1C(=O)NCCc1c[nH+]cn1C ZINC000548186627 388520769 /nfs/dbraw/zinc/52/07/69/388520769.db2.gz JIYXHHLKNMMFAB-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000528426600 388523265 /nfs/dbraw/zinc/52/32/65/388523265.db2.gz LUSATAQSXIAZPN-VKWJFSHESA-N 1 2 238.740 0.492 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000528426600 388523267 /nfs/dbraw/zinc/52/32/67/388523267.db2.gz LUSATAQSXIAZPN-VKWJFSHESA-N 1 2 238.740 0.492 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000517152950 256816804 /nfs/dbraw/zinc/81/68/04/256816804.db2.gz XHFMYEUMPOONHK-DTWKUNHWSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)CC1 ZINC000516979114 388529572 /nfs/dbraw/zinc/52/95/72/388529572.db2.gz LIUFEVVQWJEYFA-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)CC1 ZINC000516979114 388529575 /nfs/dbraw/zinc/52/95/75/388529575.db2.gz LIUFEVVQWJEYFA-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ccn[nH]1 ZINC000516267511 256771814 /nfs/dbraw/zinc/77/18/14/256771814.db2.gz CHBBOBXVXLXAOX-UHFFFAOYSA-N 1 2 233.275 0.816 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528497507 388534824 /nfs/dbraw/zinc/53/48/24/388534824.db2.gz QIDXPCRZDOVZFT-MRVPVSSYSA-N 1 2 247.316 0.496 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528497507 388534826 /nfs/dbraw/zinc/53/48/26/388534826.db2.gz QIDXPCRZDOVZFT-MRVPVSSYSA-N 1 2 247.316 0.496 20 0 BCADLO CC(=O)N1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184421389 256845258 /nfs/dbraw/zinc/84/52/58/256845258.db2.gz ZZLGWXVCSSQUJU-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO Cc1nc(N[C@@H](C)[C@@H]2CCCCO2)nc(N)[nH+]1 ZINC000379267947 388604816 /nfs/dbraw/zinc/60/48/16/388604816.db2.gz SRGJPOARUFOJKL-CBAPKCEASA-N 1 2 237.307 0.384 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@@H]2CCCCO2)[nH+]1 ZINC000379267947 388604819 /nfs/dbraw/zinc/60/48/19/388604819.db2.gz SRGJPOARUFOJKL-CBAPKCEASA-N 1 2 237.307 0.384 20 0 BCADLO CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000517587709 388554355 /nfs/dbraw/zinc/55/43/55/388554355.db2.gz FWUHOFKLGXRDIN-MRVPVSSYSA-N 1 2 240.307 0.409 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H](O)C1 ZINC000548747515 388555781 /nfs/dbraw/zinc/55/57/81/388555781.db2.gz GKYBSAVHUDHFTL-DTWKUNHWSA-N 1 2 235.287 0.423 20 0 BCADLO COC1(C)C[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000358975381 388556119 /nfs/dbraw/zinc/55/61/19/388556119.db2.gz GDRJJMFNDIJYIN-LURJTMIESA-N 1 2 213.199 0.630 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000360973274 388559711 /nfs/dbraw/zinc/55/97/11/388559711.db2.gz BECZITDYIPCIPX-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cn1 ZINC000360973274 388559714 /nfs/dbraw/zinc/55/97/14/388559714.db2.gz BECZITDYIPCIPX-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO COC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361413155 388560181 /nfs/dbraw/zinc/56/01/81/388560181.db2.gz BIFGJWJUTLVBDD-ZETCQYMHSA-N 1 2 223.219 0.109 20 0 BCADLO COC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361413155 388560183 /nfs/dbraw/zinc/56/01/83/388560183.db2.gz BIFGJWJUTLVBDD-ZETCQYMHSA-N 1 2 223.219 0.109 20 0 BCADLO COC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361413154 388560270 /nfs/dbraw/zinc/56/02/70/388560270.db2.gz BIFGJWJUTLVBDD-SSDOTTSWSA-N 1 2 223.219 0.109 20 0 BCADLO COC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361413154 388560272 /nfs/dbraw/zinc/56/02/72/388560272.db2.gz BIFGJWJUTLVBDD-SSDOTTSWSA-N 1 2 223.219 0.109 20 0 BCADLO CCOC[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000528717787 388560483 /nfs/dbraw/zinc/56/04/83/388560483.db2.gz GQFIYYADWIRHNO-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO Cn1nnc(C[NH2+]Cc2cccc3[nH]ccc32)n1 ZINC000362967412 388561467 /nfs/dbraw/zinc/56/14/67/388561467.db2.gz QVSJWHOHFMHVKC-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO CCOC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000528723989 388562001 /nfs/dbraw/zinc/56/20/01/388562001.db2.gz VGJCZZSWQJOCLN-JTQLQIEISA-N 1 2 225.292 0.647 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COc1cnn(C)c1 ZINC000548797287 388563261 /nfs/dbraw/zinc/56/32/61/388563261.db2.gz BSVUHJBBAZZVIP-UHFFFAOYSA-N 1 2 249.274 0.147 20 0 BCADLO CCOC[C@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528731920 388563517 /nfs/dbraw/zinc/56/35/17/388563517.db2.gz LVLYUQMDDTUCDA-VXGBXAGGSA-N 1 2 245.319 0.064 20 0 BCADLO CCOC[C@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528731920 388563518 /nfs/dbraw/zinc/56/35/18/388563518.db2.gz LVLYUQMDDTUCDA-VXGBXAGGSA-N 1 2 245.319 0.064 20 0 BCADLO O=S(=O)(C1CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367488319 388565379 /nfs/dbraw/zinc/56/53/79/388565379.db2.gz HBPSQXWJMIGAQN-ZETCQYMHSA-N 1 2 240.275 0.018 20 0 BCADLO C[C@H]1CN(Cc2ccc[nH+]c2N)S(=O)(=O)C1 ZINC000378974791 388569464 /nfs/dbraw/zinc/56/94/64/388569464.db2.gz HAVFYJWQJQMQSK-QMMMGPOBSA-N 1 2 241.316 0.445 20 0 BCADLO COC(=O)N1CC([NH2+][C@H](C)c2nccn2C)C1 ZINC000183356876 388570290 /nfs/dbraw/zinc/57/02/90/388570290.db2.gz NRBOKXATLMIXGU-MRVPVSSYSA-N 1 2 238.291 0.521 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548983102 388570693 /nfs/dbraw/zinc/57/06/93/388570693.db2.gz YWQSAEHFIXCDLI-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000548983102 388570695 /nfs/dbraw/zinc/57/06/95/388570695.db2.gz YWQSAEHFIXCDLI-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO Cc1csc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000379029766 388576834 /nfs/dbraw/zinc/57/68/34/388576834.db2.gz CPXWDXUHSZUPRA-UHFFFAOYSA-N 1 2 235.316 0.997 20 0 BCADLO Cc1csc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000379029766 388576836 /nfs/dbraw/zinc/57/68/36/388576836.db2.gz CPXWDXUHSZUPRA-UHFFFAOYSA-N 1 2 235.316 0.997 20 0 BCADLO CCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000081572338 388584208 /nfs/dbraw/zinc/58/42/08/388584208.db2.gz GYTQXTJXGJNZTC-UHFFFAOYSA-N 1 2 245.348 0.993 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248044064 388673523 /nfs/dbraw/zinc/67/35/23/388673523.db2.gz MPKFVAJIDWSIPW-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000248044064 388673525 /nfs/dbraw/zinc/67/35/25/388673525.db2.gz MPKFVAJIDWSIPW-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000009531958 388678106 /nfs/dbraw/zinc/67/81/06/388678106.db2.gz ZCGWTNGHYVYWDW-SSDOTTSWSA-N 1 2 221.264 0.546 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248508299 388682489 /nfs/dbraw/zinc/68/24/89/388682489.db2.gz YAHJAWLTDIGEIX-MGPLVRAMSA-N 1 2 248.392 0.457 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248508299 388682495 /nfs/dbraw/zinc/68/24/95/388682495.db2.gz YAHJAWLTDIGEIX-MGPLVRAMSA-N 1 2 248.392 0.457 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2ccc(=O)[nH]c2)c[nH+]1 ZINC000552229684 388683746 /nfs/dbraw/zinc/68/37/46/388683746.db2.gz QXESFFNLXVYRMJ-UHFFFAOYSA-N 1 2 246.270 0.791 20 0 BCADLO CCOCC[N@H+](CC)[C@H](C)c1nnnn1C ZINC000189246981 388628069 /nfs/dbraw/zinc/62/80/69/388628069.db2.gz RVZUGGMPULDESY-SECBINFHSA-N 1 2 227.312 0.630 20 0 BCADLO CCOCC[N@@H+](CC)[C@H](C)c1nnnn1C ZINC000189246981 388628073 /nfs/dbraw/zinc/62/80/73/388628073.db2.gz RVZUGGMPULDESY-SECBINFHSA-N 1 2 227.312 0.630 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCOCC1CC1 ZINC000189539840 388636489 /nfs/dbraw/zinc/63/64/89/388636489.db2.gz ZEFWHIILRVKAHQ-SECBINFHSA-N 1 2 239.323 0.630 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCOCC1CC1 ZINC000189539840 388636492 /nfs/dbraw/zinc/63/64/92/388636492.db2.gz ZEFWHIILRVKAHQ-SECBINFHSA-N 1 2 239.323 0.630 20 0 BCADLO CCn1ncc(C[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000530236677 388638269 /nfs/dbraw/zinc/63/82/69/388638269.db2.gz WGIFKUDVOTURHZ-ZETCQYMHSA-N 1 2 238.213 0.311 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCO ZINC000521903678 388640966 /nfs/dbraw/zinc/64/09/66/388640966.db2.gz AZNVFQIUTCXALR-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCO ZINC000521903678 388640968 /nfs/dbraw/zinc/64/09/68/388640968.db2.gz AZNVFQIUTCXALR-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO C[C@H](C[N@@H+]1C[C@H](C)OC[C@@H]1C)CS(C)(=O)=O ZINC000246697888 388648861 /nfs/dbraw/zinc/64/88/61/388648861.db2.gz ZBQFUIPOUYUKSL-VWYCJHECSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@H+]1C[C@H](C)OC[C@@H]1C)CS(C)(=O)=O ZINC000246697888 388648864 /nfs/dbraw/zinc/64/88/64/388648864.db2.gz ZBQFUIPOUYUKSL-VWYCJHECSA-N 1 2 249.376 0.776 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000530340307 388650146 /nfs/dbraw/zinc/65/01/46/388650146.db2.gz QWTIYRKBEFMRIS-IUCAKERBSA-N 1 2 225.292 0.502 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnn(C)c1 ZINC000194563797 388735071 /nfs/dbraw/zinc/73/50/71/388735071.db2.gz ZYEAFCJCASCPLE-JTQLQIEISA-N 1 2 225.292 0.804 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnn(C)c1 ZINC000194563797 388735076 /nfs/dbraw/zinc/73/50/76/388735076.db2.gz ZYEAFCJCASCPLE-JTQLQIEISA-N 1 2 225.292 0.804 20 0 BCADLO O=C(c1ccccn1)N1CC(n2cc[nH+]c2)C1 ZINC000522258615 388738949 /nfs/dbraw/zinc/73/89/49/388738949.db2.gz XGOIYFUTYKVWON-UHFFFAOYSA-N 1 2 228.255 0.975 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267339 388741873 /nfs/dbraw/zinc/74/18/73/388741873.db2.gz XICAXMGVSODTSF-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267339 388741875 /nfs/dbraw/zinc/74/18/75/388741875.db2.gz XICAXMGVSODTSF-ZJUUUORDSA-N 1 2 246.376 0.575 20 0 BCADLO CCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522268050 388742125 /nfs/dbraw/zinc/74/21/25/388742125.db2.gz VPRGSZQQQPUXHY-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522268050 388742127 /nfs/dbraw/zinc/74/21/27/388742127.db2.gz VPRGSZQQQPUXHY-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H](C)n1cncn1 ZINC000194737958 388742146 /nfs/dbraw/zinc/74/21/46/388742146.db2.gz AULOOUWIPDCQFW-QMMMGPOBSA-N 1 2 247.258 0.881 20 0 BCADLO CC[C@H](C)C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000649055639 388757516 /nfs/dbraw/zinc/75/75/16/388757516.db2.gz PFRWGVSZYJQBIL-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO CCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553006710 388744879 /nfs/dbraw/zinc/74/48/79/388744879.db2.gz OIDHFZHJVBMFFR-UHFFFAOYSA-N 1 2 214.309 0.481 20 0 BCADLO C[C@@H]1OCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277331898 388746911 /nfs/dbraw/zinc/74/69/11/388746911.db2.gz VQCNFNLNJBYQDM-IUCAKERBSA-N 1 2 223.276 0.841 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC(CCO)CC2)[nH]1 ZINC000539237872 388750896 /nfs/dbraw/zinc/75/08/96/388750896.db2.gz FMDLDKJOVUJOIO-UHFFFAOYSA-N 1 2 226.280 0.105 20 0 BCADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000553207221 388752348 /nfs/dbraw/zinc/75/23/48/388752348.db2.gz YVVLVCSCYJRCQP-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC000126267815 388692918 /nfs/dbraw/zinc/69/29/18/388692918.db2.gz IITLUNFXLWXHTH-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC000126267815 388692921 /nfs/dbraw/zinc/69/29/21/388692921.db2.gz IITLUNFXLWXHTH-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO Cn1cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000126446842 388696229 /nfs/dbraw/zinc/69/62/29/388696229.db2.gz ZQLJTKUJUVRLDH-UHFFFAOYSA-N 1 2 218.260 0.721 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000248939106 388699954 /nfs/dbraw/zinc/69/99/54/388699954.db2.gz NQDXTVHDXZFHCX-ONGXEEELSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000248939106 388699956 /nfs/dbraw/zinc/69/99/56/388699956.db2.gz NQDXTVHDXZFHCX-ONGXEEELSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H](CO)O1 ZINC000248964965 388701918 /nfs/dbraw/zinc/70/19/18/388701918.db2.gz GZVUYFVMBOUALE-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H](CO)O1 ZINC000248964965 388701920 /nfs/dbraw/zinc/70/19/20/388701920.db2.gz GZVUYFVMBOUALE-PWSUYJOCSA-N 1 2 224.304 0.607 20 0 BCADLO COC(=O)[C@H]([NH2+]CCn1cccn1)C1CC1 ZINC000227770033 388758018 /nfs/dbraw/zinc/75/80/18/388758018.db2.gz JJTFWORZUAUHAM-SNVBAGLBSA-N 1 2 223.276 0.424 20 0 BCADLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000248973626 388702538 /nfs/dbraw/zinc/70/25/38/388702538.db2.gz TZSJAVTWXAWVJK-SCZZXKLOSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@]1(C)C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000248973626 388702540 /nfs/dbraw/zinc/70/25/40/388702540.db2.gz TZSJAVTWXAWVJK-SCZZXKLOSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249044973 388705714 /nfs/dbraw/zinc/70/57/14/388705714.db2.gz VSFXRYCUARFAOT-PWSUYJOCSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249044973 388705716 /nfs/dbraw/zinc/70/57/16/388705716.db2.gz VSFXRYCUARFAOT-PWSUYJOCSA-N 1 2 243.303 0.429 20 0 BCADLO COCCC[N@H+](C)Cc1nnc(C)n1C ZINC000127260774 388718893 /nfs/dbraw/zinc/71/88/93/388718893.db2.gz MONRYOZNIHVZJT-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO COCCC[N@@H+](C)Cc1nnc(C)n1C ZINC000127260774 388718894 /nfs/dbraw/zinc/71/88/94/388718894.db2.gz MONRYOZNIHVZJT-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](C)[C@@H]1C ZINC000249408071 388720944 /nfs/dbraw/zinc/72/09/44/388720944.db2.gz CPTFVYCFEQGWFH-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](C)[C@@H]1C ZINC000249408071 388720945 /nfs/dbraw/zinc/72/09/45/388720945.db2.gz CPTFVYCFEQGWFH-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249438263 388721318 /nfs/dbraw/zinc/72/13/18/388721318.db2.gz SOXIWMBROLQQOG-GXFFZTMASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249438263 388721320 /nfs/dbraw/zinc/72/13/20/388721320.db2.gz SOXIWMBROLQQOG-GXFFZTMASA-N 1 2 236.315 0.972 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)N2CCC2)cn1 ZINC000522245661 388732661 /nfs/dbraw/zinc/73/26/61/388732661.db2.gz JJWWHNCFMKITDR-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)N2CCC2)cn1 ZINC000522245661 388732662 /nfs/dbraw/zinc/73/26/62/388732662.db2.gz JJWWHNCFMKITDR-UHFFFAOYSA-N 1 2 236.319 0.567 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523093793 388797806 /nfs/dbraw/zinc/79/78/06/388797806.db2.gz UNIVCVPFHBAXJQ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523093793 388797809 /nfs/dbraw/zinc/79/78/09/388797809.db2.gz UNIVCVPFHBAXJQ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523093794 388798608 /nfs/dbraw/zinc/79/86/08/388798608.db2.gz UNIVCVPFHBAXJQ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](OC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523093794 388798615 /nfs/dbraw/zinc/79/86/15/388798615.db2.gz UNIVCVPFHBAXJQ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cc(N2CCOC[C@@H]2CCO)nc[nH+]1 ZINC000095986690 388800124 /nfs/dbraw/zinc/80/01/24/388800124.db2.gz HTMVJBQVEZYYBP-JTQLQIEISA-N 1 2 223.276 0.373 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000230012112 388809850 /nfs/dbraw/zinc/80/98/50/388809850.db2.gz WSSRYHWGVOWSLP-WPRPVWTQSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000230012112 388809853 /nfs/dbraw/zinc/80/98/53/388809853.db2.gz WSSRYHWGVOWSLP-WPRPVWTQSA-N 1 2 212.249 0.256 20 0 BCADLO COC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000648736487 388760315 /nfs/dbraw/zinc/76/03/15/388760315.db2.gz XHPKTSMGJKSDBD-VIFPVBQESA-N 1 2 223.276 0.567 20 0 BCADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(C2CC2)CC1 ZINC000128485316 388764794 /nfs/dbraw/zinc/76/47/94/388764794.db2.gz KJHWFBBDJSUESO-SNVBAGLBSA-N 1 2 225.336 0.243 20 0 BCADLO Cc1nc(C[NH2+]C2(CO)CCCC2)no1 ZINC000228058705 388767946 /nfs/dbraw/zinc/76/79/46/388767946.db2.gz TXBQWOYQOHDMQH-UHFFFAOYSA-N 1 2 211.265 0.773 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000539720498 388771859 /nfs/dbraw/zinc/77/18/59/388771859.db2.gz WHIMYCPVIUVATI-DTWKUNHWSA-N 1 2 227.264 0.214 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000539720498 388771860 /nfs/dbraw/zinc/77/18/60/388771860.db2.gz WHIMYCPVIUVATI-DTWKUNHWSA-N 1 2 227.264 0.214 20 0 BCADLO CC[C@H]([NH2+]C[C@H](COC)OC)C(=O)OC ZINC000228728287 388772269 /nfs/dbraw/zinc/77/22/69/388772269.db2.gz KRTHCIVHFVZKHK-BDAKNGLRSA-N 1 2 219.281 0.189 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2C[C@@H](O)C2(C)C)C1 ZINC000564224753 388785244 /nfs/dbraw/zinc/78/52/44/388785244.db2.gz ONHPUYOKESEUQS-VHSXEESVSA-N 1 2 240.347 0.604 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000074773165 135390618 /nfs/dbraw/zinc/39/06/18/135390618.db2.gz WKITVSMDJUTYKE-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000074773165 135390619 /nfs/dbraw/zinc/39/06/19/135390619.db2.gz WKITVSMDJUTYKE-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO Cn1cnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000230170454 388818740 /nfs/dbraw/zinc/81/87/40/388818740.db2.gz YFZBGJZMOLKLMY-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@H](C)O)CC2)n1C ZINC000225777953 388844653 /nfs/dbraw/zinc/84/46/53/388844653.db2.gz VSANOPZDRGGXML-VIFPVBQESA-N 1 2 238.335 0.716 20 0 BCADLO CSCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523441892 388839426 /nfs/dbraw/zinc/83/94/26/388839426.db2.gz YQZKMHAGZVCTJM-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO CSCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523441892 388839429 /nfs/dbraw/zinc/83/94/29/388839429.db2.gz YQZKMHAGZVCTJM-SNVBAGLBSA-N 1 2 246.376 0.576 20 0 BCADLO COc1ccc[nH+]c1N[C@@H]1CNC(=O)C1 ZINC000229238215 388840241 /nfs/dbraw/zinc/84/02/41/388840241.db2.gz ZIDUGCQIHUVZJM-ZETCQYMHSA-N 1 2 207.233 0.391 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689920 388853059 /nfs/dbraw/zinc/85/30/59/388853059.db2.gz BGUNWPOYWFLQPI-GHMZBOCLSA-N 1 2 235.287 0.691 20 0 BCADLO CCn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000523689997 388853455 /nfs/dbraw/zinc/85/34/55/388853455.db2.gz NXXACJGBAACTCT-UHFFFAOYSA-N 1 2 245.286 0.797 20 0 BCADLO OCc1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000555621763 388857105 /nfs/dbraw/zinc/85/71/05/388857105.db2.gz UIRLVDCABCOZKP-UHFFFAOYSA-N 1 2 225.277 0.286 20 0 BCADLO COCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129742196 388869996 /nfs/dbraw/zinc/86/99/96/388869996.db2.gz DBWIEPKMFWGDLK-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO COCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129742196 388869999 /nfs/dbraw/zinc/86/99/99/388869999.db2.gz DBWIEPKMFWGDLK-SECBINFHSA-N 1 2 203.282 0.905 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2nncc2C1 ZINC000564584249 388880031 /nfs/dbraw/zinc/88/00/31/388880031.db2.gz JGSOMMVPQLRQRT-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCn2nncc2C1 ZINC000564584249 388880033 /nfs/dbraw/zinc/88/00/33/388880033.db2.gz JGSOMMVPQLRQRT-CMPLNLGQSA-N 1 2 236.319 0.645 20 0 BCADLO Cc1ocnc1C(=O)NCCn1cc[nH+]c1 ZINC000194774934 388885373 /nfs/dbraw/zinc/88/53/73/388885373.db2.gz CCJAZMVQELXSSU-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO C[C@@H]1SCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000649172188 388889303 /nfs/dbraw/zinc/88/93/03/388889303.db2.gz CFACBWYRHAHGIG-WPRPVWTQSA-N 1 2 239.344 0.973 20 0 BCADLO C[C@@H]1SCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000649174361 388891616 /nfs/dbraw/zinc/89/16/16/388891616.db2.gz GPLMYPYMRPMPKW-IUCAKERBSA-N 1 2 225.317 0.893 20 0 BCADLO CCc1noc([C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000564929042 388899161 /nfs/dbraw/zinc/89/91/61/388899161.db2.gz QKFPKPTVTYNYKI-IWSPIJDZSA-N 1 2 241.291 0.696 20 0 BCADLO Cn1cncc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000564453521 388876468 /nfs/dbraw/zinc/87/64/68/388876468.db2.gz IDAIEJYQCJIEBW-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2nncc2C1 ZINC000565173939 388921128 /nfs/dbraw/zinc/92/11/28/388921128.db2.gz SFRCOLFPGIRPDU-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2nncc2C1 ZINC000565173939 388921130 /nfs/dbraw/zinc/92/11/30/388921130.db2.gz SFRCOLFPGIRPDU-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1c(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000565212336 388925736 /nfs/dbraw/zinc/92/57/36/388925736.db2.gz GUIMAJSBYJZCAT-MRVPVSSYSA-N 1 2 247.302 0.872 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H]([C@H](C)O)C1 ZINC000163129294 388933807 /nfs/dbraw/zinc/93/38/07/388933807.db2.gz DHQINMVTLXXUAA-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H]([C@H](C)O)C1 ZINC000163129294 388933809 /nfs/dbraw/zinc/93/38/09/388933809.db2.gz DHQINMVTLXXUAA-YUMQZZPRSA-N 1 2 238.291 0.275 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CO)[C@H](O)C1 ZINC000565609695 388958717 /nfs/dbraw/zinc/95/87/17/388958717.db2.gz QUTXLMRZOWEXRV-GHMZBOCLSA-N 1 2 237.303 0.273 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H](CF)C1 ZINC000565658160 388960254 /nfs/dbraw/zinc/96/02/54/388960254.db2.gz ZBIYERNIXDROFG-VIFPVBQESA-N 1 2 227.239 0.080 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC1 ZINC000565718635 388962844 /nfs/dbraw/zinc/96/28/44/388962844.db2.gz PGJXMTSGEHOVLA-SECBINFHSA-N 1 2 205.261 0.678 20 0 BCADLO CC[C@](C)(CO)C(=O)NCCc1cn(C)c[nH+]1 ZINC000565726025 388965601 /nfs/dbraw/zinc/96/56/01/388965601.db2.gz JSYSRNNNBYGYFC-GFCCVEGCSA-N 1 2 239.319 0.487 20 0 BCADLO Cc1nnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)s1 ZINC000271393806 389018813 /nfs/dbraw/zinc/01/88/13/389018813.db2.gz GOYLTAXHFWDHKD-MRVPVSSYSA-N 1 2 242.348 0.836 20 0 BCADLO COC(=O)CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493144286 533308770 /nfs/dbraw/zinc/30/87/70/533308770.db2.gz DEXGLJYXWHGKBK-NSCUHMNNSA-N 1 2 249.270 0.635 20 0 BCADLO C/C(=C\C(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000178735505 533399161 /nfs/dbraw/zinc/39/91/61/533399161.db2.gz ZLYSWMHJDFUHQJ-RUNBWSAHSA-N 1 2 249.358 0.459 20 0 BCADLO CO[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1OC ZINC000488004484 533480803 /nfs/dbraw/zinc/48/08/03/533480803.db2.gz WSJNEPUVMDOYQG-NXEZZACHSA-N 1 2 223.276 0.322 20 0 BCADLO COC(=O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495664232 533502990 /nfs/dbraw/zinc/50/29/90/533502990.db2.gz JWPMKKLSYYCBDJ-UHFFFAOYSA-N 1 2 244.291 0.322 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861258 533601918 /nfs/dbraw/zinc/60/19/18/533601918.db2.gz PRMOXHXHOUMFKY-TUUFMJSCSA-N 1 2 237.259 0.491 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308344488 533536281 /nfs/dbraw/zinc/53/62/81/533536281.db2.gz MEVHUYZKYFIIRV-DTWKUNHWSA-N 1 2 213.277 0.707 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308344490 533536547 /nfs/dbraw/zinc/53/65/47/533536547.db2.gz MEVHUYZKYFIIRV-IUCAKERBSA-N 1 2 213.277 0.707 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493182897 533599335 /nfs/dbraw/zinc/59/93/35/533599335.db2.gz BWUYBWOXMQEKEZ-MPJRPATESA-N 1 2 237.259 0.491 20 0 BCADLO C[C@H]1OCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000268801633 132193145 /nfs/dbraw/zinc/19/31/45/132193145.db2.gz JLXKBSDUPQOPBE-DTWKUNHWSA-N 1 2 247.302 0.977 20 0 BCADLO C[C@@H](O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000270746839 132197170 /nfs/dbraw/zinc/19/71/70/132197170.db2.gz HLYFFYSVWAJEGN-SNVBAGLBSA-N 1 2 235.287 0.111 20 0 BCADLO Cc1nc(N2CCN(C(C)C)C(=O)C2)cc[nH+]1 ZINC000272468427 132200837 /nfs/dbraw/zinc/20/08/37/132200837.db2.gz MREXDOXNZGGHSX-UHFFFAOYSA-N 1 2 234.303 0.842 20 0 BCADLO Cc1nc(N2CC(=O)N(C)[C@H](C)C2)cc[nH+]1 ZINC000283415033 132212643 /nfs/dbraw/zinc/21/26/43/132212643.db2.gz GIEQTIVKWJWZPJ-MRVPVSSYSA-N 1 2 220.276 0.452 20 0 BCADLO CCc1nc(N2CCN(C)C(=O)C2)cc(C)[nH+]1 ZINC000286032144 132213988 /nfs/dbraw/zinc/21/39/88/132213988.db2.gz BCSXCNZQGZYVEJ-UHFFFAOYSA-N 1 2 234.303 0.626 20 0 BCADLO c1[nH+]cn2c1CN(c1ncccn1)CC2 ZINC000290638755 132217133 /nfs/dbraw/zinc/21/71/33/132217133.db2.gz HTEXQHUQDRZYLD-UHFFFAOYSA-N 1 2 201.233 0.693 20 0 BCADLO Cc1cc(N2CCOC[C@H]2C[C@@H](C)O)nc[nH+]1 ZINC000130027107 132234067 /nfs/dbraw/zinc/23/40/67/132234067.db2.gz SNZVPJNGGHDXHJ-GHMZBOCLSA-N 1 2 237.303 0.761 20 0 BCADLO Cc1nc(N2CCO[C@H](C(=O)C3CC3)C2)cc[nH+]1 ZINC000333311788 132245095 /nfs/dbraw/zinc/24/50/95/132245095.db2.gz OCGXMYFBUOOGDH-NSHDSACASA-N 1 2 247.298 0.969 20 0 BCADLO C[C@H]1C(=O)NCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000333980642 132246372 /nfs/dbraw/zinc/24/63/72/132246372.db2.gz BKZGSFUDOWENTR-QMMMGPOBSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@H]1C(=O)NCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000333980642 132246375 /nfs/dbraw/zinc/24/63/75/132246375.db2.gz BKZGSFUDOWENTR-QMMMGPOBSA-N 1 2 247.302 0.376 20 0 BCADLO Cc1cc(N2CCC[C@H](OCCO)C2)nc[nH+]1 ZINC000301261603 132252318 /nfs/dbraw/zinc/25/23/18/132252318.db2.gz FPSVGSGWNYWRHV-NSHDSACASA-N 1 2 237.303 0.763 20 0 BCADLO Cc1cc(N2CCS(=O)(=O)C[C@@H]2C)nc[nH+]1 ZINC000301367732 132253286 /nfs/dbraw/zinc/25/32/86/132253286.db2.gz OOTHVNOEUDVYRQ-VIFPVBQESA-N 1 2 241.316 0.408 20 0 BCADLO O=C1CN(c2cccc(-n3cc[nH+]c3)n2)CCN1 ZINC000376527263 132289229 /nfs/dbraw/zinc/28/92/29/132289229.db2.gz ODLNCSASUPLGFW-UHFFFAOYSA-N 1 2 243.270 0.204 20 0 BCADLO FCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000280870398 132306922 /nfs/dbraw/zinc/30/69/22/132306922.db2.gz ZYMZVTAHKGZUJK-UHFFFAOYSA-N 1 2 226.255 0.695 20 0 BCADLO FCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000280870398 132306923 /nfs/dbraw/zinc/30/69/23/132306923.db2.gz ZYMZVTAHKGZUJK-UHFFFAOYSA-N 1 2 226.255 0.695 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000014302108 132322624 /nfs/dbraw/zinc/32/26/24/132322624.db2.gz UXUCDJZWINLUTG-QMMMGPOBSA-N 1 2 233.275 0.588 20 0 BCADLO Cc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)nc[nH+]1 ZINC000301247575 132359527 /nfs/dbraw/zinc/35/95/27/132359527.db2.gz QQCNSLMMIHGHBR-ZJUUUORDSA-N 1 2 234.303 0.875 20 0 BCADLO CC[C@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347515157 133837402 /nfs/dbraw/zinc/83/74/02/133837402.db2.gz JVMLKSDMRWUFMV-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)CN1C ZINC000351921499 134006674 /nfs/dbraw/zinc/00/66/74/134006674.db2.gz QHTWOHHFAPSJSX-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)CN1C ZINC000351921499 134006675 /nfs/dbraw/zinc/00/66/75/134006675.db2.gz QHTWOHHFAPSJSX-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)on1 ZINC000335926490 134009157 /nfs/dbraw/zinc/00/91/57/134009157.db2.gz DJFQCQGMJNZSGH-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)on1 ZINC000335926490 134009158 /nfs/dbraw/zinc/00/91/58/134009158.db2.gz DJFQCQGMJNZSGH-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1cccnc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000335946142 134019788 /nfs/dbraw/zinc/01/97/88/134019788.db2.gz HVHDCWZSQBWRQZ-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000335946142 134019789 /nfs/dbraw/zinc/01/97/89/134019789.db2.gz HVHDCWZSQBWRQZ-LLVKDONJSA-N 1 2 219.288 0.710 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946725 134020488 /nfs/dbraw/zinc/02/04/88/134020488.db2.gz HRGGKEGDECHCDG-RKDXNWHRSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946725 134020489 /nfs/dbraw/zinc/02/04/89/134020489.db2.gz HRGGKEGDECHCDG-RKDXNWHRSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@@]1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335952488 134022121 /nfs/dbraw/zinc/02/21/21/134022121.db2.gz YYPAJQWFWGLFCT-ZWNOBZJWSA-N 1 2 249.314 0.429 20 0 BCADLO CC1(C(=O)NCc2cn3ccccc3[nH+]2)COC1 ZINC000335977330 134031849 /nfs/dbraw/zinc/03/18/49/134031849.db2.gz AFHDAOVDTYESEE-UHFFFAOYSA-N 1 2 245.282 0.987 20 0 BCADLO C[C@H](C(=O)N[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC000335996509 134042278 /nfs/dbraw/zinc/04/22/78/134042278.db2.gz YAQWRXXACZULCJ-NEPJUHHUSA-N 1 2 238.331 0.932 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000336001774 134047744 /nfs/dbraw/zinc/04/77/44/134047744.db2.gz DSMCFDVZJMSLGM-ZETCQYMHSA-N 1 2 228.321 0.046 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCS1 ZINC000336001774 134047745 /nfs/dbraw/zinc/04/77/45/134047745.db2.gz DSMCFDVZJMSLGM-ZETCQYMHSA-N 1 2 228.321 0.046 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336016911 134053228 /nfs/dbraw/zinc/05/32/28/134053228.db2.gz XRTGTFIHIGYLJZ-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336016911 134053229 /nfs/dbraw/zinc/05/32/29/134053229.db2.gz XRTGTFIHIGYLJZ-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO O=C(NCC(F)F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336024398 134056799 /nfs/dbraw/zinc/05/67/99/134056799.db2.gz JBJBMIPMEQGEDM-ZCFIWIBFSA-N 1 2 244.245 0.831 20 0 BCADLO O=C(NCC(F)F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336024398 134056800 /nfs/dbraw/zinc/05/68/00/134056800.db2.gz JBJBMIPMEQGEDM-ZCFIWIBFSA-N 1 2 244.245 0.831 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C)C1 ZINC000336036187 134059840 /nfs/dbraw/zinc/05/98/40/134059840.db2.gz MLHBMWWINACPLK-UHFFFAOYSA-N 1 2 208.265 0.135 20 0 BCADLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336039837 134061189 /nfs/dbraw/zinc/06/11/89/134061189.db2.gz QNBQVEAVOJAEHY-CMPLNLGQSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000336048928 134064224 /nfs/dbraw/zinc/06/42/24/134064224.db2.gz JJNXNENSZGKXJQ-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000336048930 134064375 /nfs/dbraw/zinc/06/43/75/134064375.db2.gz JJNXNENSZGKXJQ-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1[C@H](C(=O)NCc2c[nH+]c[nH]2)C1(F)F ZINC000336023968 134065568 /nfs/dbraw/zinc/06/55/68/134065568.db2.gz BHZVAEHCRJQRMY-CAHLUQPWSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@H]1[C@H](C(=O)NCc2c[nH]c[nH+]2)C1(F)F ZINC000336023968 134065569 /nfs/dbraw/zinc/06/55/69/134065569.db2.gz BHZVAEHCRJQRMY-CAHLUQPWSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1(F)F ZINC000336023971 134065575 /nfs/dbraw/zinc/06/55/75/134065575.db2.gz BHZVAEHCRJQRMY-VDTYLAMSSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@@H]1[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1(F)F ZINC000336023971 134065576 /nfs/dbraw/zinc/06/55/76/134065576.db2.gz BHZVAEHCRJQRMY-VDTYLAMSSA-N 1 2 215.203 0.927 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094490 134079715 /nfs/dbraw/zinc/07/97/15/134079715.db2.gz HERXXGSBULAKMW-SFYZADRCSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336094490 134079716 /nfs/dbraw/zinc/07/97/16/134079716.db2.gz HERXXGSBULAKMW-SFYZADRCSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336094490 134079717 /nfs/dbraw/zinc/07/97/17/134079717.db2.gz HERXXGSBULAKMW-SFYZADRCSA-N 1 2 208.265 0.455 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336094490 134079718 /nfs/dbraw/zinc/07/97/18/134079718.db2.gz HERXXGSBULAKMW-SFYZADRCSA-N 1 2 208.265 0.455 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@H](O)C2(CC2)C1 ZINC000336109957 134086093 /nfs/dbraw/zinc/08/60/93/134086093.db2.gz RPGQYVTVSAKMAT-JTQLQIEISA-N 1 2 235.287 0.257 20 0 BCADLO CCOC(=O)C[N@H+](C)C1CC(OC)C1 ZINC000352200388 134100203 /nfs/dbraw/zinc/10/02/03/134100203.db2.gz AIFJRRHEACLURE-UHFFFAOYSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)C[N@@H+](C)C1CC(OC)C1 ZINC000352200388 134100204 /nfs/dbraw/zinc/10/02/04/134100204.db2.gz AIFJRRHEACLURE-UHFFFAOYSA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@@H+](Cc1nc(COC)no1)C[C@H](C)O ZINC000352212922 134108178 /nfs/dbraw/zinc/10/81/78/134108178.db2.gz SDVBGHKRHGZMLD-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1nc(COC)no1)C[C@H](C)O ZINC000352212922 134108179 /nfs/dbraw/zinc/10/81/79/134108179.db2.gz SDVBGHKRHGZMLD-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO Cc1cc(N2CC[S@@](=O)[C@H](C)C2)nc[nH+]1 ZINC000352265290 134128840 /nfs/dbraw/zinc/12/88/40/134128840.db2.gz KPDNINIKJAPTPP-RFAUZJTJSA-N 1 2 225.317 0.742 20 0 BCADLO CO[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000168553772 134226290 /nfs/dbraw/zinc/22/62/90/134226290.db2.gz WAOYSQHNPCEETR-MRVPVSSYSA-N 1 2 211.265 0.413 20 0 BCADLO Cn1c[nH+]cc1CSc1ncc(CO)n1C ZINC000085217498 134247105 /nfs/dbraw/zinc/24/71/05/134247105.db2.gz PLVVWUVKAFAUKP-UHFFFAOYSA-N 1 2 238.316 0.938 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250532 134252308 /nfs/dbraw/zinc/25/23/08/134252308.db2.gz YLBAGANEBUPCCS-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO COCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250324 134252349 /nfs/dbraw/zinc/25/23/49/134252349.db2.gz FJTRZOWUDYUJNN-VIFPVBQESA-N 1 2 223.276 0.208 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000172014066 134264187 /nfs/dbraw/zinc/26/41/87/134264187.db2.gz HDEHXOTWUQJBCQ-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000172014066 134264188 /nfs/dbraw/zinc/26/41/88/134264188.db2.gz HDEHXOTWUQJBCQ-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172882358 134270221 /nfs/dbraw/zinc/27/02/21/134270221.db2.gz WPBICYISNUFQHU-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172882358 134270222 /nfs/dbraw/zinc/27/02/22/134270222.db2.gz WPBICYISNUFQHU-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC(F)F ZINC000173433475 134274159 /nfs/dbraw/zinc/27/41/59/134274159.db2.gz WXGQJFQOPVVRPE-UHFFFAOYSA-N 1 2 218.207 0.447 20 0 BCADLO c1c[nH]c(CN2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173987796 134277714 /nfs/dbraw/zinc/27/77/14/134277714.db2.gz HIRMIAGVGUFUDB-LLVKDONJSA-N 1 2 236.319 0.316 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000174098728 134278850 /nfs/dbraw/zinc/27/88/50/134278850.db2.gz IIALWEAIFMNUES-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000174098728 134278851 /nfs/dbraw/zinc/27/88/51/134278851.db2.gz IIALWEAIFMNUES-WCBMZHEXSA-N 1 2 240.307 0.521 20 0 BCADLO CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174477078 134281861 /nfs/dbraw/zinc/28/18/61/134281861.db2.gz GOKOSNXWTDWJIU-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000175062501 134284172 /nfs/dbraw/zinc/28/41/72/134284172.db2.gz AIFYCMJWPHXICM-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000175062501 134284173 /nfs/dbraw/zinc/28/41/73/134284173.db2.gz AIFYCMJWPHXICM-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176432409 134291708 /nfs/dbraw/zinc/29/17/08/134291708.db2.gz AZLDZEUPURVAEU-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176432409 134291709 /nfs/dbraw/zinc/29/17/09/134291709.db2.gz AZLDZEUPURVAEU-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO COC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000220006607 134298605 /nfs/dbraw/zinc/29/86/05/134298605.db2.gz DTEOGRSZCWICSF-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO CC1(C)C[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178856377 134315808 /nfs/dbraw/zinc/31/58/08/134315808.db2.gz TWCUGFVRQXRRGX-WDEREUQCSA-N 1 2 237.347 0.149 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000179302564 134319402 /nfs/dbraw/zinc/31/94/02/134319402.db2.gz XQPGRMAGLPODEQ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000179302564 134319403 /nfs/dbraw/zinc/31/94/03/134319403.db2.gz XQPGRMAGLPODEQ-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507695 134321048 /nfs/dbraw/zinc/32/10/48/134321048.db2.gz GWLJQLNPWPHMCL-VIFPVBQESA-N 1 2 249.318 0.347 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507695 134321049 /nfs/dbraw/zinc/32/10/49/134321049.db2.gz GWLJQLNPWPHMCL-VIFPVBQESA-N 1 2 249.318 0.347 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180423165 134327144 /nfs/dbraw/zinc/32/71/44/134327144.db2.gz GIFOTBQWQBAUGV-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180423165 134327145 /nfs/dbraw/zinc/32/71/45/134327145.db2.gz GIFOTBQWQBAUGV-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO Cn1cnnc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000223116797 134336986 /nfs/dbraw/zinc/33/69/86/134336986.db2.gz DWXBIYHRDIOQHT-UHFFFAOYSA-N 1 2 236.250 0.950 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000181911494 134340349 /nfs/dbraw/zinc/34/03/49/134340349.db2.gz NNGBFAWLDPAUHZ-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000181911494 134340350 /nfs/dbraw/zinc/34/03/50/134340350.db2.gz NNGBFAWLDPAUHZ-SFYZADRCSA-N 1 2 229.280 0.590 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2ccccc12 ZINC000224927453 134352401 /nfs/dbraw/zinc/35/24/01/134352401.db2.gz VCNXECWDIPCEGY-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2ccccc12 ZINC000224927453 134352402 /nfs/dbraw/zinc/35/24/02/134352402.db2.gz VCNXECWDIPCEGY-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000226492471 134363921 /nfs/dbraw/zinc/36/39/21/134363921.db2.gz NTCUMDRZNWHYOW-WCBMZHEXSA-N 1 2 213.277 0.659 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000226492471 134363922 /nfs/dbraw/zinc/36/39/22/134363922.db2.gz NTCUMDRZNWHYOW-WCBMZHEXSA-N 1 2 213.277 0.659 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211835 134375165 /nfs/dbraw/zinc/37/51/65/134375165.db2.gz ILXYZVCIWUVJQR-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211835 134375166 /nfs/dbraw/zinc/37/51/66/134375166.db2.gz ILXYZVCIWUVJQR-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO Cc1ccc(CS(=O)(=O)CCCO)c(C)[nH+]1 ZINC000185235474 134375563 /nfs/dbraw/zinc/37/55/63/134375563.db2.gz DPZQFRURJSHNFD-UHFFFAOYSA-N 1 2 243.328 0.996 20 0 BCADLO CCC[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000185247438 134375654 /nfs/dbraw/zinc/37/56/54/134375654.db2.gz GQIJRAVQOPKBIS-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO CCC[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000185247438 134375655 /nfs/dbraw/zinc/37/56/55/134375655.db2.gz GQIJRAVQOPKBIS-UHFFFAOYSA-N 1 2 228.296 0.340 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)on1 ZINC000227396713 134379402 /nfs/dbraw/zinc/37/94/02/134379402.db2.gz IKASFEDNRHITQV-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)on1 ZINC000227396713 134379403 /nfs/dbraw/zinc/37/94/03/134379403.db2.gz IKASFEDNRHITQV-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)n1 ZINC000227399649 134379462 /nfs/dbraw/zinc/37/94/62/134379462.db2.gz PJZZIXJFQVUBHF-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)n1 ZINC000227399649 134379463 /nfs/dbraw/zinc/37/94/63/134379463.db2.gz PJZZIXJFQVUBHF-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCn2cnnc2C1 ZINC000408070366 134385347 /nfs/dbraw/zinc/38/53/47/134385347.db2.gz FZKRRAXGBFTMKX-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCn2cnnc2C1 ZINC000408070366 134385348 /nfs/dbraw/zinc/38/53/48/134385348.db2.gz FZKRRAXGBFTMKX-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC000227983207 134396723 /nfs/dbraw/zinc/39/67/23/134396723.db2.gz XHVFMVKPVOZKGI-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCO1 ZINC000155677604 134695452 /nfs/dbraw/zinc/69/54/52/134695452.db2.gz ZAWRAAXLRBGCAH-VIFPVBQESA-N 1 2 221.260 0.609 20 0 BCADLO CONC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000075688340 134974815 /nfs/dbraw/zinc/97/48/15/134974815.db2.gz BGTBSTVYBUIIRB-UHFFFAOYSA-N 1 2 247.258 0.628 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000248394684 135001474 /nfs/dbraw/zinc/00/14/74/135001474.db2.gz IFQVHBMOYUBNFB-IVZWLZJFSA-N 1 2 242.319 0.572 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248390451 135001781 /nfs/dbraw/zinc/00/17/81/135001781.db2.gz IDRKYPVRCALZKL-GARJFASQSA-N 1 2 245.319 0.146 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248390451 135001784 /nfs/dbraw/zinc/00/17/84/135001784.db2.gz IDRKYPVRCALZKL-GARJFASQSA-N 1 2 245.319 0.146 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000248413285 135006134 /nfs/dbraw/zinc/00/61/34/135006134.db2.gz FYUFGHPQQRARQH-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000248413285 135006135 /nfs/dbraw/zinc/00/61/35/135006135.db2.gz FYUFGHPQQRARQH-WPRPVWTQSA-N 1 2 240.307 0.521 20 0 BCADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC000070733768 135011620 /nfs/dbraw/zinc/01/16/20/135011620.db2.gz SCIIWCRQWDOWPQ-ZCFIWIBFSA-N 1 2 242.304 0.297 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000248842216 135023991 /nfs/dbraw/zinc/02/39/91/135023991.db2.gz RDWMJJHTIISOAS-RKDXNWHRSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000248842216 135023992 /nfs/dbraw/zinc/02/39/92/135023992.db2.gz RDWMJJHTIISOAS-RKDXNWHRSA-N 1 2 209.297 0.688 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249008458 135029494 /nfs/dbraw/zinc/02/94/94/135029494.db2.gz JEZNQQHZNNELRU-MNOVXSKESA-N 1 2 243.303 0.354 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249008458 135029497 /nfs/dbraw/zinc/02/94/97/135029497.db2.gz JEZNQQHZNNELRU-MNOVXSKESA-N 1 2 243.303 0.354 20 0 BCADLO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4csnn4)[C@H]1[C@H]3C2 ZINC000249559160 135041456 /nfs/dbraw/zinc/04/14/56/135041456.db2.gz MMNAGRMCSVBESJ-AGHCMANISA-N 1 2 237.328 0.739 20 0 BCADLO O[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4csnn4)[C@H]1[C@H]3C2 ZINC000249559160 135041457 /nfs/dbraw/zinc/04/14/57/135041457.db2.gz MMNAGRMCSVBESJ-AGHCMANISA-N 1 2 237.328 0.739 20 0 BCADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1csnn1 ZINC000249559166 135041533 /nfs/dbraw/zinc/04/15/33/135041533.db2.gz MMNAGRMCSVBESJ-FZHDAFOHSA-N 1 2 237.328 0.739 20 0 BCADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1csnn1 ZINC000249559166 135041534 /nfs/dbraw/zinc/04/15/34/135041534.db2.gz MMNAGRMCSVBESJ-FZHDAFOHSA-N 1 2 237.328 0.739 20 0 BCADLO CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249761473 135044228 /nfs/dbraw/zinc/04/42/28/135044228.db2.gz XTYUGARCFZZKST-JTQLQIEISA-N 1 2 232.349 0.506 20 0 BCADLO CCS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249761473 135044229 /nfs/dbraw/zinc/04/42/29/135044229.db2.gz XTYUGARCFZZKST-JTQLQIEISA-N 1 2 232.349 0.506 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000251533947 135070876 /nfs/dbraw/zinc/07/08/76/135070876.db2.gz GMSAELKVBMAZOF-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000251533947 135070877 /nfs/dbraw/zinc/07/08/77/135070877.db2.gz GMSAELKVBMAZOF-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccncc1F ZINC000078072135 135090415 /nfs/dbraw/zinc/09/04/15/135090415.db2.gz LHEIWJNJEWYWFG-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H](CO)OC[C@H]1C ZINC000252476566 135091233 /nfs/dbraw/zinc/09/12/33/135091233.db2.gz KQOFGESDFJUZGR-MNOVXSKESA-N 1 2 239.319 0.485 20 0 BCADLO OC[C@H](O)CSCCCn1cc[nH+]c1 ZINC000086660936 135093490 /nfs/dbraw/zinc/09/34/90/135093490.db2.gz IWBFYIDLKKSPCJ-VIFPVBQESA-N 1 2 216.306 0.360 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000252748528 135107823 /nfs/dbraw/zinc/10/78/23/135107823.db2.gz TYOLXFURXQKTDR-ZJUUUORDSA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCOC[C@H]1C(=O)OC ZINC000252748528 135107824 /nfs/dbraw/zinc/10/78/24/135107824.db2.gz TYOLXFURXQKTDR-ZJUUUORDSA-N 1 2 215.293 0.906 20 0 BCADLO CCOC(=O)COCC[N@@H+]1CCOC[C@@H]1C ZINC000087256381 135115648 /nfs/dbraw/zinc/11/56/48/135115648.db2.gz GXCVRXAQYLYXHT-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)COCC[N@H+]1CCOC[C@@H]1C ZINC000087256381 135115649 /nfs/dbraw/zinc/11/56/49/135115649.db2.gz GXCVRXAQYLYXHT-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253284835 135126006 /nfs/dbraw/zinc/12/60/06/135126006.db2.gz NFCVIYOCRPLHLH-RKDXNWHRSA-N 1 2 224.304 0.564 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253284835 135126008 /nfs/dbraw/zinc/12/60/08/135126008.db2.gz NFCVIYOCRPLHLH-RKDXNWHRSA-N 1 2 224.304 0.564 20 0 BCADLO CC(=O)Nc1cccc(C[N@H+](C)CC(N)=O)c1 ZINC000263709001 135128088 /nfs/dbraw/zinc/12/80/88/135128088.db2.gz MSRPUKVLXFOWSB-UHFFFAOYSA-N 1 2 235.287 0.562 20 0 BCADLO CC(=O)Nc1cccc(C[N@@H+](C)CC(N)=O)c1 ZINC000263709001 135128089 /nfs/dbraw/zinc/12/80/89/135128089.db2.gz MSRPUKVLXFOWSB-UHFFFAOYSA-N 1 2 235.287 0.562 20 0 BCADLO CN1CCC[N@H+](Cc2ccncc2)CC1=O ZINC000259195660 135140214 /nfs/dbraw/zinc/14/02/14/135140214.db2.gz FHDODLOCZKOQLO-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO CN1CCC[N@@H+](Cc2ccncc2)CC1=O ZINC000259195660 135140215 /nfs/dbraw/zinc/14/02/15/135140215.db2.gz FHDODLOCZKOQLO-UHFFFAOYSA-N 1 2 219.288 0.746 20 0 BCADLO COC(=O)C[N@H+](C)CCc1c(C)noc1C ZINC000261157221 135150457 /nfs/dbraw/zinc/15/04/57/135150457.db2.gz VSYCUPBVPFLSHV-UHFFFAOYSA-N 1 2 226.276 0.939 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1c(C)noc1C ZINC000261157221 135150458 /nfs/dbraw/zinc/15/04/58/135150458.db2.gz VSYCUPBVPFLSHV-UHFFFAOYSA-N 1 2 226.276 0.939 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528979 135155328 /nfs/dbraw/zinc/15/53/28/135155328.db2.gz YNYJZFMASQCHCO-DSYKOEDSSA-N 1 2 204.220 0.508 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169289 135166968 /nfs/dbraw/zinc/16/69/68/135166968.db2.gz IWIGSRXJSVBOKB-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO COC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353169289 135166970 /nfs/dbraw/zinc/16/69/70/135166970.db2.gz IWIGSRXJSVBOKB-HTQZYQBOSA-N 1 2 209.236 0.723 20 0 BCADLO Nc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)s1 ZINC000261534740 135167631 /nfs/dbraw/zinc/16/76/31/135167631.db2.gz MYLARKLTWUDVTR-SECBINFHSA-N 1 2 231.296 0.632 20 0 BCADLO Nc1ncc(C[N@H+]2CC[C@](F)(CO)C2)s1 ZINC000261534740 135167632 /nfs/dbraw/zinc/16/76/32/135167632.db2.gz MYLARKLTWUDVTR-SECBINFHSA-N 1 2 231.296 0.632 20 0 BCADLO Nc1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000261583510 135224022 /nfs/dbraw/zinc/22/40/22/135224022.db2.gz PAPUFQVWNAEIGI-OCAPTIKFSA-N 1 2 241.316 0.325 20 0 BCADLO Nc1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000261583510 135224023 /nfs/dbraw/zinc/22/40/23/135224023.db2.gz PAPUFQVWNAEIGI-OCAPTIKFSA-N 1 2 241.316 0.325 20 0 BCADLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccco1 ZINC000261591105 135231897 /nfs/dbraw/zinc/23/18/97/135231897.db2.gz VAKHOAMVCUBKET-UHFFFAOYSA-N 1 2 240.231 0.152 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342580455 135291804 /nfs/dbraw/zinc/29/18/04/135291804.db2.gz DUNUDIRDHUEOMH-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342580455 135291805 /nfs/dbraw/zinc/29/18/05/135291805.db2.gz DUNUDIRDHUEOMH-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cncn1C ZINC000342629028 135297447 /nfs/dbraw/zinc/29/74/47/135297447.db2.gz DDVZYYRWSRNXRU-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cncn1C ZINC000342629028 135297448 /nfs/dbraw/zinc/29/74/48/135297448.db2.gz DDVZYYRWSRNXRU-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)N(C)Cc1c[nH+]cn1C ZINC000342629028 135297450 /nfs/dbraw/zinc/29/74/50/135297450.db2.gz DDVZYYRWSRNXRU-BJOHPYRUSA-N 1 2 229.349 0.619 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)nc1 ZINC000342633010 135298359 /nfs/dbraw/zinc/29/83/59/135298359.db2.gz HTBUYUFGGRKCCK-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)nc1 ZINC000342633010 135298360 /nfs/dbraw/zinc/29/83/60/135298360.db2.gz HTBUYUFGGRKCCK-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(N)=O)C[C@H](C)O2 ZINC000366785563 135311732 /nfs/dbraw/zinc/31/17/32/135311732.db2.gz HHIDLQSCVGBFSV-JFGNBEQYSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(N)=O)C[C@H](C)O2 ZINC000366785563 135311734 /nfs/dbraw/zinc/31/17/34/135311734.db2.gz HHIDLQSCVGBFSV-JFGNBEQYSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366785561 135312385 /nfs/dbraw/zinc/31/23/85/135312385.db2.gz HHIDLQSCVGBFSV-FOGDFJRCSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366785561 135312386 /nfs/dbraw/zinc/31/23/86/135312386.db2.gz HHIDLQSCVGBFSV-FOGDFJRCSA-N 1 2 242.319 0.130 20 0 BCADLO CCCC[N@H+](Cc1nnnn1C)C1CC1 ZINC000342710187 135312730 /nfs/dbraw/zinc/31/27/30/135312730.db2.gz OVGIDPYNWQKWFN-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO CCCC[N@@H+](Cc1nnnn1C)C1CC1 ZINC000342710187 135312731 /nfs/dbraw/zinc/31/27/31/135312731.db2.gz OVGIDPYNWQKWFN-UHFFFAOYSA-N 1 2 209.297 0.975 20 0 BCADLO CN(C(=O)[C@@H]1CSC[NH2+]1)c1cnn(C)c1 ZINC000262677731 135312868 /nfs/dbraw/zinc/31/28/68/135312868.db2.gz RQZDGFQRCPMGCJ-QMMMGPOBSA-N 1 2 226.305 0.045 20 0 BCADLO CCc1nc(N(C)[C@H]2CCNC2=O)cc(C)[nH+]1 ZINC000342725386 135315323 /nfs/dbraw/zinc/31/53/23/135315323.db2.gz DWOIQYNTIITNOM-VIFPVBQESA-N 1 2 234.303 0.672 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@H](C)C[S@](C)=O)n1C ZINC000342780366 135317896 /nfs/dbraw/zinc/31/78/96/135317896.db2.gz PIZWEVCYCCOUAU-HWPZZCPQSA-N 1 2 243.376 0.927 20 0 BCADLO COC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342782247 135317948 /nfs/dbraw/zinc/31/79/48/135317948.db2.gz OMTFIBSEVOBYFG-NSHDSACASA-N 1 2 239.319 0.576 20 0 BCADLO Cc1c[nH+]c(CN2CCC[C@@H]2C(N)=O)n1C ZINC000342789919 135318075 /nfs/dbraw/zinc/31/80/75/135318075.db2.gz YYWCLSKOOHSBCI-SECBINFHSA-N 1 2 222.292 0.178 20 0 BCADLO Cc1c[nH+]c(CN2CC(n3ccnn3)C2)n1C ZINC000342796663 135321002 /nfs/dbraw/zinc/32/10/02/135321002.db2.gz LDFPNOZRTDOMCE-UHFFFAOYSA-N 1 2 232.291 0.377 20 0 BCADLO Cc1c[nH+]c(CN2CCNC(=O)[C@H]2C)n1C ZINC000342797035 135321378 /nfs/dbraw/zinc/32/13/78/135321378.db2.gz NEVAEPIFOULWKM-SECBINFHSA-N 1 2 222.292 0.049 20 0 BCADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000342762102 135325561 /nfs/dbraw/zinc/32/55/61/135325561.db2.gz VVXJWODCBNBDAL-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](F)C[C@@H]2CO)n1C ZINC000342770673 135326134 /nfs/dbraw/zinc/32/61/34/135326134.db2.gz YJRCXWVXLKAKJI-VHSXEESVSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c[nH+]c(CN(CCO)C2CC2)n1C ZINC000342777315 135327146 /nfs/dbraw/zinc/32/71/46/135327146.db2.gz HGBWKOIVRQEXFX-UHFFFAOYSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C2CC2)n1C ZINC000342777315 135327148 /nfs/dbraw/zinc/32/71/48/135327148.db2.gz HGBWKOIVRQEXFX-UHFFFAOYSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C2CC2)n1C ZINC000342777315 135327149 /nfs/dbraw/zinc/32/71/49/135327149.db2.gz HGBWKOIVRQEXFX-UHFFFAOYSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC[C@H](C)O)n1C ZINC000342775237 135327555 /nfs/dbraw/zinc/32/75/55/135327555.db2.gz FAEGYOFTSHACOT-JTQLQIEISA-N 1 2 211.309 0.931 20 0 BCADLO Cc1cnc(C[N@H+](C)CC[C@H](C)O)n1C ZINC000342775237 135327557 /nfs/dbraw/zinc/32/75/57/135327557.db2.gz FAEGYOFTSHACOT-JTQLQIEISA-N 1 2 211.309 0.931 20 0 BCADLO Cc1c[nH+]c(CN(C)CC[C@H](C)O)n1C ZINC000342775237 135327559 /nfs/dbraw/zinc/32/75/59/135327559.db2.gz FAEGYOFTSHACOT-JTQLQIEISA-N 1 2 211.309 0.931 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)s1 ZINC000263038546 135328025 /nfs/dbraw/zinc/32/80/25/135328025.db2.gz SNDMPRAMYFIGKO-YFKPBYRVSA-N 1 2 248.258 0.782 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@H]1C[C@@H]1C(F)F ZINC000342911024 135333992 /nfs/dbraw/zinc/33/39/92/135333992.db2.gz JSUSYAFRSSWLPC-YUMQZZPRSA-N 1 2 244.245 0.836 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000334297352 135335258 /nfs/dbraw/zinc/33/52/58/135335258.db2.gz CVMWHFBDCDOZIE-NXEZZACHSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000334297352 135335259 /nfs/dbraw/zinc/33/52/59/135335259.db2.gz CVMWHFBDCDOZIE-NXEZZACHSA-N 1 2 238.331 0.907 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1CC1 ZINC000334307199 135348935 /nfs/dbraw/zinc/34/89/35/135348935.db2.gz DEBOFOPWPOHZTA-CMPLNLGQSA-N 1 2 238.331 0.718 20 0 BCADLO CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000334307589 135350217 /nfs/dbraw/zinc/35/02/17/135350217.db2.gz HUXQQHJIAYUPIF-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000334307589 135350218 /nfs/dbraw/zinc/35/02/18/135350218.db2.gz HUXQQHJIAYUPIF-UHFFFAOYSA-N 1 2 215.297 0.026 20 0 BCADLO CC(C)CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334310431 135351053 /nfs/dbraw/zinc/35/10/53/135351053.db2.gz KSEOCNWUTPOCBJ-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334310431 135351055 /nfs/dbraw/zinc/35/10/55/135351055.db2.gz KSEOCNWUTPOCBJ-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CCOC(=O)CC[N@H+](CC)CC(=O)OC ZINC000343121032 135358497 /nfs/dbraw/zinc/35/84/97/135358497.db2.gz PYOUEJVCFNXEJM-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCOC(=O)CC[N@@H+](CC)CC(=O)OC ZINC000343121032 135358498 /nfs/dbraw/zinc/35/84/98/135358498.db2.gz PYOUEJVCFNXEJM-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCOCC2)C1 ZINC000334357760 135370098 /nfs/dbraw/zinc/37/00/98/135370098.db2.gz QTQSFMJWBTWDDA-WDEREUQCSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCOCC2)C1 ZINC000334357760 135370100 /nfs/dbraw/zinc/37/01/00/135370100.db2.gz QTQSFMJWBTWDDA-WDEREUQCSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)n1 ZINC000299974731 135384208 /nfs/dbraw/zinc/38/42/08/135384208.db2.gz ZABOMIOWXCHSAD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)n1 ZINC000299974731 135384210 /nfs/dbraw/zinc/38/42/10/135384210.db2.gz ZABOMIOWXCHSAD-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CC(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081561634 135387458 /nfs/dbraw/zinc/38/74/58/135387458.db2.gz ATVJJLMABOKWJM-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CCC1(C)CN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334400605 135389909 /nfs/dbraw/zinc/38/99/09/135389909.db2.gz FEKTZGWGGFLGBQ-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)[C@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334411051 135392629 /nfs/dbraw/zinc/39/26/29/135392629.db2.gz JZGMPVWUMHMPRJ-VXGBXAGGSA-N 1 2 240.347 0.964 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347644544 136000185 /nfs/dbraw/zinc/00/01/85/136000185.db2.gz LTBWXCCPOPQLLC-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347644544 136000186 /nfs/dbraw/zinc/00/01/86/136000186.db2.gz LTBWXCCPOPQLLC-JTQLQIEISA-N 1 2 214.309 0.623 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347644551 136000351 /nfs/dbraw/zinc/00/03/51/136000351.db2.gz LTBWXCCPOPQLLC-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347644551 136000352 /nfs/dbraw/zinc/00/03/52/136000352.db2.gz LTBWXCCPOPQLLC-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1cc(NC(=O)[C@]2(C)CCCNC2=O)cc[nH+]1 ZINC000335283199 136001014 /nfs/dbraw/zinc/00/10/14/136001014.db2.gz XJXJUSUWEBCYLM-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO COCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000347656091 136001999 /nfs/dbraw/zinc/00/19/99/136001999.db2.gz HUVOTSMYVADYIY-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO COCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000347656091 136002000 /nfs/dbraw/zinc/00/20/00/136002000.db2.gz HUVOTSMYVADYIY-UHFFFAOYSA-N 1 2 212.297 0.937 20 0 BCADLO CC(=O)[C@](C)(O)C[NH+]1CCN(CC(C)C)CC1 ZINC000347719169 136003727 /nfs/dbraw/zinc/00/37/27/136003727.db2.gz LROJEOBXPVDDFH-CYBMUJFWSA-N 1 2 242.363 0.600 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCOC ZINC000347731204 136004311 /nfs/dbraw/zinc/00/43/11/136004311.db2.gz XTWICWCQDNTDGW-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCOC ZINC000347731204 136004312 /nfs/dbraw/zinc/00/43/12/136004312.db2.gz XTWICWCQDNTDGW-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cnnn1C ZINC000347689464 136005617 /nfs/dbraw/zinc/00/56/17/136005617.db2.gz VHWXOIPJHLGYJK-SECBINFHSA-N 1 2 234.307 0.742 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cnnn1C ZINC000347689464 136005618 /nfs/dbraw/zinc/00/56/18/136005618.db2.gz VHWXOIPJHLGYJK-SECBINFHSA-N 1 2 234.307 0.742 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ncon1 ZINC000347697635 136006563 /nfs/dbraw/zinc/00/65/63/136006563.db2.gz VXNHZLJNWIVDDJ-RITPCOANSA-N 1 2 246.217 0.244 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CCCC2)NC1CC1 ZINC000335318089 136025772 /nfs/dbraw/zinc/02/57/72/136025772.db2.gz BFHOAFPMIADKBR-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[N@H+]1CCOCC12CCCC2)NC1CC1 ZINC000335318089 136025773 /nfs/dbraw/zinc/02/57/73/136025773.db2.gz BFHOAFPMIADKBR-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCC1 ZINC000335317933 136026051 /nfs/dbraw/zinc/02/60/51/136026051.db2.gz VRQLZCIORXSEQV-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCC1 ZINC000335317933 136026052 /nfs/dbraw/zinc/02/60/52/136026052.db2.gz VRQLZCIORXSEQV-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO O=C(Nc1ccncc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000335313533 136031581 /nfs/dbraw/zinc/03/15/81/136031581.db2.gz NLTXMURHIDQHBA-JTQLQIEISA-N 1 2 242.282 0.901 20 0 BCADLO Cn1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000335314836 136032452 /nfs/dbraw/zinc/03/24/52/136032452.db2.gz IVCGINNLFQDFPJ-NEPJUHHUSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000335314836 136032453 /nfs/dbraw/zinc/03/24/53/136032453.db2.gz IVCGINNLFQDFPJ-NEPJUHHUSA-N 1 2 249.314 0.180 20 0 BCADLO C[C@@H]1CCSCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348154896 136040805 /nfs/dbraw/zinc/04/08/05/136040805.db2.gz HBRWWVOLEFQMOX-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@@H]1CCSCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348154896 136040806 /nfs/dbraw/zinc/04/08/06/136040806.db2.gz HBRWWVOLEFQMOX-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H](C)O1 ZINC000348218207 136046771 /nfs/dbraw/zinc/04/67/71/136046771.db2.gz QZZWWUKDPXFKHS-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H](C)O1 ZINC000348218207 136046772 /nfs/dbraw/zinc/04/67/72/136046772.db2.gz QZZWWUKDPXFKHS-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CCOCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348188078 136048741 /nfs/dbraw/zinc/04/87/41/136048741.db2.gz KDKMCGUAIQAEJO-CQSZACIVSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348188078 136048742 /nfs/dbraw/zinc/04/87/42/136048742.db2.gz KDKMCGUAIQAEJO-CQSZACIVSA-N 1 2 219.350 0.866 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ccncn1 ZINC000348243308 136056271 /nfs/dbraw/zinc/05/62/71/136056271.db2.gz ULWKZMFLTCGOGS-UHFFFAOYSA-N 1 2 244.254 0.810 20 0 BCADLO CCn1cc[nH+]c1CN1CC(C(=O)NC)C1 ZINC000348307669 136066174 /nfs/dbraw/zinc/06/61/74/136066174.db2.gz CEMFHXZSZOFNMT-UHFFFAOYSA-N 1 2 222.292 0.081 20 0 BCADLO CCn1ccnc1C[NH+]1CC(C(=O)NC)C1 ZINC000348307669 136066175 /nfs/dbraw/zinc/06/61/75/136066175.db2.gz CEMFHXZSZOFNMT-UHFFFAOYSA-N 1 2 222.292 0.081 20 0 BCADLO CN(C)C(=O)CC[N@H+](C)Cc1nccn1C ZINC000348309279 136066654 /nfs/dbraw/zinc/06/66/54/136066654.db2.gz FPVQKTASHPJISA-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO CN(C)C(=O)CC[N@@H+](C)Cc1nccn1C ZINC000348309279 136066655 /nfs/dbraw/zinc/06/66/55/136066655.db2.gz FPVQKTASHPJISA-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@H](C)O1 ZINC000348348509 136071825 /nfs/dbraw/zinc/07/18/25/136071825.db2.gz LWUCVKJQBYVMGM-AEJSXWLSSA-N 1 2 229.276 0.038 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@H](C)O1 ZINC000348348509 136071826 /nfs/dbraw/zinc/07/18/26/136071826.db2.gz LWUCVKJQBYVMGM-AEJSXWLSSA-N 1 2 229.276 0.038 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCCSCC1 ZINC000348477056 136080320 /nfs/dbraw/zinc/08/03/20/136080320.db2.gz ICWIQTBZRWXINJ-MRVPVSSYSA-N 1 2 227.337 0.710 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCCSCC1 ZINC000348477056 136080321 /nfs/dbraw/zinc/08/03/21/136080321.db2.gz ICWIQTBZRWXINJ-MRVPVSSYSA-N 1 2 227.337 0.710 20 0 BCADLO C[C@H](C(F)(F)F)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000335372698 136083876 /nfs/dbraw/zinc/08/38/76/136083876.db2.gz NTGCFRVRMFLKKF-RITPCOANSA-N 1 2 246.254 0.219 20 0 BCADLO CN(C(=O)[C@@H]1CSC[NH2+]1)c1ccn(C)n1 ZINC000335373924 136084608 /nfs/dbraw/zinc/08/46/08/136084608.db2.gz DGXHJQVIEONBOA-ZETCQYMHSA-N 1 2 226.305 0.045 20 0 BCADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccn(C)n1 ZINC000335376466 136085776 /nfs/dbraw/zinc/08/57/76/136085776.db2.gz QTSQKTHFCNONFP-SSDOTTSWSA-N 1 2 244.245 0.380 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](O)C1 ZINC000335558075 136100429 /nfs/dbraw/zinc/10/04/29/136100429.db2.gz KYEZOXWPYMIBJC-ZYHUDNBSSA-N 1 2 249.314 0.429 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1O ZINC000367047440 136112315 /nfs/dbraw/zinc/11/23/15/136112315.db2.gz JEASTKWRMDJNJD-IWSPIJDZSA-N 1 2 248.273 0.213 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1O ZINC000367047441 136112333 /nfs/dbraw/zinc/11/23/33/136112333.db2.gz JEASTKWRMDJNJD-VGMNWLOBSA-N 1 2 248.273 0.213 20 0 BCADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@H]1COC[C@@H]1O ZINC000348646815 136115172 /nfs/dbraw/zinc/11/51/72/136115172.db2.gz QAHVHNJSAVEPFW-IUCAKERBSA-N 1 2 247.245 0.470 20 0 BCADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@H]1COC[C@@H]1O ZINC000348646815 136115173 /nfs/dbraw/zinc/11/51/73/136115173.db2.gz QAHVHNJSAVEPFW-IUCAKERBSA-N 1 2 247.245 0.470 20 0 BCADLO COC(=O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000181472877 397808013 /nfs/dbraw/zinc/80/80/13/397808013.db2.gz IUADMUUEVAVKHR-QMMMGPOBSA-N 1 2 203.282 0.546 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1CO ZINC000360104558 397778970 /nfs/dbraw/zinc/77/89/70/397778970.db2.gz MCSLMBQOVFKBLE-VIFPVBQESA-N 1 2 238.291 0.086 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@@H](O)C1)CC2 ZINC000626194813 397852585 /nfs/dbraw/zinc/85/25/85/397852585.db2.gz BGRGPGTUGVXTNZ-MXWKQRLJSA-N 1 2 249.314 0.393 20 0 BCADLO Cc1cc(NC(=O)C2(O)CCOCC2)cc[nH+]1 ZINC000356105922 397927376 /nfs/dbraw/zinc/92/73/76/397927376.db2.gz ZKNHSGVUJKGIDW-UHFFFAOYSA-N 1 2 236.271 0.292 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157514730 397929930 /nfs/dbraw/zinc/92/99/30/397929930.db2.gz RDBGAXLXBYLGOS-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000157514730 397929933 /nfs/dbraw/zinc/92/99/33/397929933.db2.gz RDBGAXLXBYLGOS-LLVKDONJSA-N 1 2 224.308 0.645 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000440527646 397931770 /nfs/dbraw/zinc/93/17/70/397931770.db2.gz ZOXBWCOWMPDMBA-RKDXNWHRSA-N 1 2 218.272 0.181 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000440527646 397931775 /nfs/dbraw/zinc/93/17/75/397931775.db2.gz ZOXBWCOWMPDMBA-RKDXNWHRSA-N 1 2 218.272 0.181 20 0 BCADLO CCC(O)(CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000266563585 397937713 /nfs/dbraw/zinc/93/77/13/397937713.db2.gz PYFCOPIKQVPRHQ-UHFFFAOYSA-N 1 2 225.292 0.999 20 0 BCADLO C[C@H](C(N)=O)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000357572017 397938670 /nfs/dbraw/zinc/93/86/70/397938670.db2.gz RAXMTZAPPDNKBJ-SNVBAGLBSA-N 1 2 249.314 0.108 20 0 BCADLO C[C@H](C(N)=O)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000357572017 397938675 /nfs/dbraw/zinc/93/86/75/397938675.db2.gz RAXMTZAPPDNKBJ-SNVBAGLBSA-N 1 2 249.314 0.108 20 0 BCADLO CC[C@@H]1C[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000388050619 397943019 /nfs/dbraw/zinc/94/30/19/397943019.db2.gz XHSUWWQOKYJSGI-SFYZADRCSA-N 1 2 207.281 0.472 20 0 BCADLO CC[C@@H]1C[C@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000388050619 397943024 /nfs/dbraw/zinc/94/30/24/397943024.db2.gz XHSUWWQOKYJSGI-SFYZADRCSA-N 1 2 207.281 0.472 20 0 BCADLO CN(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382528723 397956007 /nfs/dbraw/zinc/95/60/07/397956007.db2.gz RZZNNJSJUMABGM-NSHDSACASA-N 1 2 241.335 0.465 20 0 BCADLO CC(=O)N1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408163405 397957481 /nfs/dbraw/zinc/95/74/81/397957481.db2.gz DLNAARLOZIJIEM-SECBINFHSA-N 1 2 249.270 0.016 20 0 BCADLO Cn1nccc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000408164249 397959771 /nfs/dbraw/zinc/95/97/71/397959771.db2.gz HJHWCAXITXNWRA-UHFFFAOYSA-N 1 2 231.259 0.273 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570854 397960923 /nfs/dbraw/zinc/96/09/23/397960923.db2.gz QQJDBTLUNISWIW-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570854 397960924 /nfs/dbraw/zinc/96/09/24/397960924.db2.gz QQJDBTLUNISWIW-JTQLQIEISA-N 1 2 248.330 0.540 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000649603005 397991379 /nfs/dbraw/zinc/99/13/79/397991379.db2.gz VVLZMSNANYYFDG-VIFPVBQESA-N 1 2 231.296 0.753 20 0 BCADLO Cc1nnsc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000649603005 397991380 /nfs/dbraw/zinc/99/13/80/397991380.db2.gz VVLZMSNANYYFDG-VIFPVBQESA-N 1 2 231.296 0.753 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000372288819 398000058 /nfs/dbraw/zinc/00/00/58/398000058.db2.gz MNDHVUXCPULQIL-QMMMGPOBSA-N 1 2 222.292 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000372288819 398000061 /nfs/dbraw/zinc/00/00/61/398000061.db2.gz MNDHVUXCPULQIL-QMMMGPOBSA-N 1 2 222.292 0.324 20 0 BCADLO COC(=O)C(C)(C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000555312095 398002763 /nfs/dbraw/zinc/00/27/63/398002763.db2.gz IDWTYHCXMONHLY-UHFFFAOYSA-N 1 2 239.275 0.293 20 0 BCADLO COCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279451634 398046910 /nfs/dbraw/zinc/04/69/10/398046910.db2.gz OEAJMTSZRUQNIL-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO Nc1ccnc(C[NH+]2CCC(C3(O)CC3)CC2)n1 ZINC000649670735 398031849 /nfs/dbraw/zinc/03/18/49/398031849.db2.gz XUWTZUVZDCQFOL-UHFFFAOYSA-N 1 2 248.330 0.626 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000598670812 398035633 /nfs/dbraw/zinc/03/56/33/398035633.db2.gz QXRWEHRTKPGIKJ-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC000598670812 398035637 /nfs/dbraw/zinc/03/56/37/398035637.db2.gz QXRWEHRTKPGIKJ-NSHDSACASA-N 1 2 235.287 0.922 20 0 BCADLO C[C@@H](CNc1ccc(C(=O)[O-])c[nH+]1)C[NH+](C)C ZINC000383765987 398036302 /nfs/dbraw/zinc/03/63/02/398036302.db2.gz FSTNKGPJUZTMKF-VIFPVBQESA-N 1 2 237.303 0.811 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CCOC1 ZINC000583702267 398037574 /nfs/dbraw/zinc/03/75/74/398037574.db2.gz OIIKRLACQITMMG-BXKDBHETSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CCOC1 ZINC000583702267 398037583 /nfs/dbraw/zinc/03/75/83/398037583.db2.gz OIIKRLACQITMMG-BXKDBHETSA-N 1 2 237.303 0.884 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000278584574 398039613 /nfs/dbraw/zinc/03/96/13/398039613.db2.gz JYHGYVMOKFZGAT-IUCAKERBSA-N 1 2 237.303 0.896 20 0 BCADLO CC(C)CNC(=O)CN(C)Cc1[nH+]ccn1C ZINC000272626799 397981581 /nfs/dbraw/zinc/98/15/81/397981581.db2.gz VRCQJOFAJWHKAS-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncccc1Cl ZINC000528425404 397982544 /nfs/dbraw/zinc/98/25/44/397982544.db2.gz BIDIGFBDZGQIJB-IUCAKERBSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ncccc1Cl ZINC000528425404 397982547 /nfs/dbraw/zinc/98/25/47/397982547.db2.gz BIDIGFBDZGQIJB-IUCAKERBSA-N 1 2 242.706 0.663 20 0 BCADLO CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000650208895 397987311 /nfs/dbraw/zinc/98/73/11/397987311.db2.gz LHDNOGWLTFXRAO-AOOOYVTPSA-N 1 2 227.308 0.169 20 0 BCADLO CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000650208895 397987314 /nfs/dbraw/zinc/98/73/14/397987314.db2.gz LHDNOGWLTFXRAO-AOOOYVTPSA-N 1 2 227.308 0.169 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC(=O)C1CC1 ZINC000272981771 397989707 /nfs/dbraw/zinc/98/97/07/397989707.db2.gz VAQSZAYDYLIUMX-UHFFFAOYSA-N 1 2 221.260 0.369 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC)[C@@H](C)CO1 ZINC000649731268 398071133 /nfs/dbraw/zinc/07/11/33/398071133.db2.gz FJFHJBKOIQKFDR-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC)[C@@H](C)CO1 ZINC000649731268 398071137 /nfs/dbraw/zinc/07/11/37/398071137.db2.gz FJFHJBKOIQKFDR-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)CO1 ZINC000649735026 398075792 /nfs/dbraw/zinc/07/57/92/398075792.db2.gz DVFLPWOZYJKHRY-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)CO1 ZINC000649735026 398075795 /nfs/dbraw/zinc/07/57/95/398075795.db2.gz DVFLPWOZYJKHRY-DTWKUNHWSA-N 1 2 240.307 0.108 20 0 BCADLO CC(C)[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000291548554 398094035 /nfs/dbraw/zinc/09/40/35/398094035.db2.gz PWVDHRBDKSJGBM-VIFPVBQESA-N 1 2 211.265 0.053 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186957786 398080674 /nfs/dbraw/zinc/08/06/74/398080674.db2.gz NPNJJCCKURFZCO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186957786 398080678 /nfs/dbraw/zinc/08/06/78/398080678.db2.gz NPNJJCCKURFZCO-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186975835 398080834 /nfs/dbraw/zinc/08/08/34/398080834.db2.gz YDDNRIAWHWXNPD-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)CCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186975835 398080839 /nfs/dbraw/zinc/08/08/39/398080839.db2.gz YDDNRIAWHWXNPD-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000289318124 398086645 /nfs/dbraw/zinc/08/66/45/398086645.db2.gz BXJBGJXDYDFBJC-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000289318124 398086648 /nfs/dbraw/zinc/08/66/48/398086648.db2.gz BXJBGJXDYDFBJC-NSHDSACASA-N 1 2 232.291 0.875 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(N)n1 ZINC000051072165 398055420 /nfs/dbraw/zinc/05/54/20/398055420.db2.gz CQUIICKUHOVTKQ-VIFPVBQESA-N 1 2 245.286 0.679 20 0 BCADLO COC[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000281165367 398057963 /nfs/dbraw/zinc/05/79/63/398057963.db2.gz XBKRPGIGMSKQTL-SECBINFHSA-N 1 2 239.275 0.519 20 0 BCADLO Cc1oncc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000189586241 398058182 /nfs/dbraw/zinc/05/81/82/398058182.db2.gz DQQIFAZXTDXIQU-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1oncc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000189586241 398058189 /nfs/dbraw/zinc/05/81/89/398058189.db2.gz DQQIFAZXTDXIQU-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO CCOCCOCC[N@H+](C)CC(=O)OC ZINC000190284177 398099490 /nfs/dbraw/zinc/09/94/90/398099490.db2.gz IARGKJAVTQHIFA-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOCCOCC[N@@H+](C)CC(=O)OC ZINC000190284177 398099493 /nfs/dbraw/zinc/09/94/93/398099493.db2.gz IARGKJAVTQHIFA-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1ncnn1C ZINC000190277426 398099561 /nfs/dbraw/zinc/09/95/61/398099561.db2.gz SSJMPNZOGFQQHR-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1ncnn1C ZINC000190277426 398099562 /nfs/dbraw/zinc/09/95/62/398099562.db2.gz SSJMPNZOGFQQHR-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO C[C@](O)(C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000292093623 398101136 /nfs/dbraw/zinc/10/11/36/398101136.db2.gz OBLOKLQLYAIZSV-GFCCVEGCSA-N 1 2 235.287 0.386 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000384759563 398105049 /nfs/dbraw/zinc/10/50/49/398105049.db2.gz AGNNITSUMAIYKO-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000384759563 398105052 /nfs/dbraw/zinc/10/50/52/398105052.db2.gz AGNNITSUMAIYKO-NXEZZACHSA-N 1 2 224.308 0.643 20 0 BCADLO C[C@H](CO)C1CC[NH+](Cc2nncn2C)CC1 ZINC000649799793 398108555 /nfs/dbraw/zinc/10/85/55/398108555.db2.gz DHSLXJTZWAFIEH-SNVBAGLBSA-N 1 2 238.335 0.656 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)C2(CCC2)CO1 ZINC000649824614 398127247 /nfs/dbraw/zinc/12/72/47/398127247.db2.gz HAERLVVRYUNRFE-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)C2(CCC2)CO1 ZINC000649824614 398127248 /nfs/dbraw/zinc/12/72/48/398127248.db2.gz HAERLVVRYUNRFE-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649211093 398130550 /nfs/dbraw/zinc/13/05/50/398130550.db2.gz ITRZYWWBTJQNKJ-WCABBAIRSA-N 1 2 219.288 0.970 20 0 BCADLO CC(C)[N@@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000369384938 167026748 /nfs/dbraw/zinc/02/67/48/167026748.db2.gz UUZJXOGUWWISCL-UHFFFAOYSA-N 1 2 246.261 0.534 20 0 BCADLO CC(C)[N@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000369384938 167026750 /nfs/dbraw/zinc/02/67/50/167026750.db2.gz UUZJXOGUWWISCL-UHFFFAOYSA-N 1 2 246.261 0.534 20 0 BCADLO CNC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007048378 173280086 /nfs/dbraw/zinc/28/00/86/173280086.db2.gz JTASRQWLZGIJSR-UHFFFAOYSA-N 1 2 212.278 0.205 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309085454 167061351 /nfs/dbraw/zinc/06/13/51/167061351.db2.gz WWMLQSNGIPZLLS-MRVPVSSYSA-N 1 2 211.265 0.850 20 0 BCADLO C[N@@H+](Cc1csnn1)C[C@H](O)C1CC1 ZINC000685461181 487529312 /nfs/dbraw/zinc/52/93/12/487529312.db2.gz RMCBBAGLLRZBIY-VIFPVBQESA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1csnn1)C[C@H](O)C1CC1 ZINC000685461181 487529315 /nfs/dbraw/zinc/52/93/15/487529315.db2.gz RMCBBAGLLRZBIY-VIFPVBQESA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCO[C@H]1C1CC1 ZINC000680312947 487560898 /nfs/dbraw/zinc/56/08/98/487560898.db2.gz UJBUQSVMIJTKFO-QWHCGFSZSA-N 1 2 249.314 0.957 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CCn1cccn1 ZINC000680343842 487570059 /nfs/dbraw/zinc/57/00/59/487570059.db2.gz RJVPFODTFHYWJQ-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO C[C@H](O)CNc1cc(NCCCCF)[nH+]cn1 ZINC000413315254 487575767 /nfs/dbraw/zinc/57/57/67/487575767.db2.gz VIBMVKOKFSAUHS-VIFPVBQESA-N 1 2 242.298 1.431 20 0 BCADLO C[C@H](O)CNc1cc(NCCCCF)nc[nH+]1 ZINC000413315254 487575773 /nfs/dbraw/zinc/57/57/73/487575773.db2.gz VIBMVKOKFSAUHS-VIFPVBQESA-N 1 2 242.298 1.431 20 0 BCADLO Cc1cn[nH]c1C[N@H+](CC(N)=O)C1CCCC1 ZINC000685833536 487580004 /nfs/dbraw/zinc/58/00/04/487580004.db2.gz HWMGGGDOIAUBKA-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000685833536 487580008 /nfs/dbraw/zinc/58/00/08/487580008.db2.gz HWMGGGDOIAUBKA-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]nc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000685833536 487580010 /nfs/dbraw/zinc/58/00/10/487580010.db2.gz HWMGGGDOIAUBKA-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000685833536 487580012 /nfs/dbraw/zinc/58/00/12/487580012.db2.gz HWMGGGDOIAUBKA-UHFFFAOYSA-N 1 2 236.319 0.948 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000674465438 487581213 /nfs/dbraw/zinc/58/12/13/487581213.db2.gz BHNSTTTXSAJKHM-QMMMGPOBSA-N 1 2 225.248 0.334 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000674465438 487581215 /nfs/dbraw/zinc/58/12/15/487581215.db2.gz BHNSTTTXSAJKHM-QMMMGPOBSA-N 1 2 225.248 0.334 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000674465991 487582734 /nfs/dbraw/zinc/58/27/34/487582734.db2.gz VIZWPMXJOOJNCQ-TXEJJXNPSA-N 1 2 247.298 0.262 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cn3ccccc3n2)C1 ZINC000674465991 487582740 /nfs/dbraw/zinc/58/27/40/487582740.db2.gz VIZWPMXJOOJNCQ-TXEJJXNPSA-N 1 2 247.298 0.262 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000265805535 167267022 /nfs/dbraw/zinc/26/70/22/167267022.db2.gz IPUZRIMEMLMGAN-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265805535 167267024 /nfs/dbraw/zinc/26/70/24/167267024.db2.gz IPUZRIMEMLMGAN-LLVKDONJSA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368332103 167268847 /nfs/dbraw/zinc/26/88/47/167268847.db2.gz PMGJBMAEBZXKJE-OUAUKWLOSA-N 1 2 215.293 0.245 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368332103 167268850 /nfs/dbraw/zinc/26/88/50/167268850.db2.gz PMGJBMAEBZXKJE-OUAUKWLOSA-N 1 2 215.293 0.245 20 0 BCADLO Cc1conc1C(=O)N1CC[NH+](C)CC1 ZINC000082303765 487590557 /nfs/dbraw/zinc/59/05/57/487590557.db2.gz QKVUYFUISJSGIZ-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC000082304219 487590599 /nfs/dbraw/zinc/59/05/99/487590599.db2.gz WXZCBPHFQSGGNX-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO COC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000674587525 487596829 /nfs/dbraw/zinc/59/68/29/487596829.db2.gz JCXZIBAFGVYBOI-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cnn(C)c1N ZINC000680488558 487604748 /nfs/dbraw/zinc/60/47/48/487604748.db2.gz JMLGCDVUZNZNLF-UHFFFAOYSA-N 1 2 231.259 0.380 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653890958 487610167 /nfs/dbraw/zinc/61/01/67/487610167.db2.gz TXUOZBCNZUCSSQ-SECBINFHSA-N 1 2 229.280 0.207 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653890958 487610169 /nfs/dbraw/zinc/61/01/69/487610169.db2.gz TXUOZBCNZUCSSQ-SECBINFHSA-N 1 2 229.280 0.207 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC1(C)C ZINC000662345659 409661401 /nfs/dbraw/zinc/66/14/01/409661401.db2.gz KKACYTVIMQCLDS-ZETCQYMHSA-N 1 2 210.281 0.988 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC1(C)C ZINC000662345659 409661412 /nfs/dbraw/zinc/66/14/12/409661412.db2.gz KKACYTVIMQCLDS-ZETCQYMHSA-N 1 2 210.281 0.988 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@@](C)(C(F)F)C2)C1=O ZINC000662370690 409677964 /nfs/dbraw/zinc/67/79/64/409677964.db2.gz GXJZPYZFKICMSR-LDYMZIIASA-N 1 2 248.273 0.573 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@@](C)(C(F)F)C2)C1=O ZINC000662370690 409677968 /nfs/dbraw/zinc/67/79/68/409677968.db2.gz GXJZPYZFKICMSR-LDYMZIIASA-N 1 2 248.273 0.573 20 0 BCADLO CON1CCC([N@H+](C)Cc2csnn2)CC1 ZINC000660768057 409727722 /nfs/dbraw/zinc/72/77/22/409727722.db2.gz ZSCLSVBDFJKOSG-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO CON1CCC([N@@H+](C)Cc2csnn2)CC1 ZINC000660768057 409727731 /nfs/dbraw/zinc/72/77/31/409727731.db2.gz ZSCLSVBDFJKOSG-UHFFFAOYSA-N 1 2 242.348 0.996 20 0 BCADLO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)OC ZINC000151656038 409825658 /nfs/dbraw/zinc/82/56/58/409825658.db2.gz YQRHPZXAAPOPBM-SNVBAGLBSA-N 1 2 217.265 0.481 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1COC(C)(C)C1 ZINC000660843190 409829066 /nfs/dbraw/zinc/82/90/66/409829066.db2.gz FMNAXXTVFNQCCE-SSDOTTSWSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1COC(C)(C)C1 ZINC000660843190 409829074 /nfs/dbraw/zinc/82/90/74/409829074.db2.gz FMNAXXTVFNQCCE-SSDOTTSWSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1n[nH]c(=O)o1 ZINC000660844550 409844468 /nfs/dbraw/zinc/84/44/68/409844468.db2.gz OYWQNQUOEGFNFT-LURJTMIESA-N 1 2 249.217 0.631 20 0 BCADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1n[nH]c(=O)o1 ZINC000660844550 409844476 /nfs/dbraw/zinc/84/44/76/409844476.db2.gz OYWQNQUOEGFNFT-LURJTMIESA-N 1 2 249.217 0.631 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)cn2)C1 ZINC000660834448 409817491 /nfs/dbraw/zinc/81/74/91/409817491.db2.gz XRZKYYILWZROKQ-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)cn2)C1 ZINC000660834448 409817497 /nfs/dbraw/zinc/81/74/97/409817497.db2.gz XRZKYYILWZROKQ-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752350 487611309 /nfs/dbraw/zinc/61/13/09/487611309.db2.gz JRGXTPKTTLSWPL-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752350 487611312 /nfs/dbraw/zinc/61/13/12/487611312.db2.gz JRGXTPKTTLSWPL-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccon1 ZINC000046091002 409881763 /nfs/dbraw/zinc/88/17/63/409881763.db2.gz VPBBYXRZRZNOOU-UHFFFAOYSA-N 1 2 239.275 0.317 20 0 BCADLO O=C1C[C@H](C[N@H+]2CCCC(F)(F)C2)CN1 ZINC000660911901 409959855 /nfs/dbraw/zinc/95/98/55/409959855.db2.gz KTFZKPTWTMJVAN-QMMMGPOBSA-N 1 2 218.247 0.854 20 0 BCADLO O=C1C[C@H](C[N@@H+]2CCCC(F)(F)C2)CN1 ZINC000660911901 409959864 /nfs/dbraw/zinc/95/98/64/409959864.db2.gz KTFZKPTWTMJVAN-QMMMGPOBSA-N 1 2 218.247 0.854 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCOC1 ZINC000660948076 409986624 /nfs/dbraw/zinc/98/66/24/409986624.db2.gz XBVZQHRRGZSIRC-MRVPVSSYSA-N 1 2 224.264 0.340 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCOC1 ZINC000660948076 409986631 /nfs/dbraw/zinc/98/66/31/409986631.db2.gz XBVZQHRRGZSIRC-MRVPVSSYSA-N 1 2 224.264 0.340 20 0 BCADLO Cc1ncc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000628120470 410022155 /nfs/dbraw/zinc/02/21/55/410022155.db2.gz OUEQXURHJFNEOF-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cc1ncc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000628120470 410022159 /nfs/dbraw/zinc/02/21/59/410022159.db2.gz OUEQXURHJFNEOF-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO O=c1[nH]nc(CSCC2CC[NH2+]CC2)[nH]1 ZINC000564450273 410006344 /nfs/dbraw/zinc/00/63/44/410006344.db2.gz NAUIRKQUXSLNCX-UHFFFAOYSA-N 1 2 228.321 0.743 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCOCCF ZINC000663234412 410084599 /nfs/dbraw/zinc/08/45/99/410084599.db2.gz SJAONSXASIYPGY-UHFFFAOYSA-N 1 2 239.254 0.761 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCCN1 ZINC000653172327 410143138 /nfs/dbraw/zinc/14/31/38/410143138.db2.gz GYTDLNQUTIYEMF-UHFFFAOYSA-N 1 2 248.330 0.889 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)[C@H]2CCCN2C1=O ZINC000663938893 410392678 /nfs/dbraw/zinc/39/26/78/410392678.db2.gz JAHJDJTUFRYTLZ-SNVBAGLBSA-N 1 2 248.286 0.389 20 0 BCADLO Cn1c[nH+]cc1CCn1cc(F)ccc1=O ZINC000664016649 410430961 /nfs/dbraw/zinc/43/09/61/410430961.db2.gz OCWLBQYYIGFSDP-UHFFFAOYSA-N 1 2 221.235 0.964 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443158 410663077 /nfs/dbraw/zinc/66/30/77/410663077.db2.gz LYZWJDMRDFZBQR-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661443158 410663079 /nfs/dbraw/zinc/66/30/79/410663079.db2.gz LYZWJDMRDFZBQR-RKDXNWHRSA-N 1 2 240.307 0.493 20 0 BCADLO Nc1ncc(C[N@@H+]2CCO[C@@H](CF)C2)s1 ZINC000647551707 410640319 /nfs/dbraw/zinc/64/03/19/410640319.db2.gz DSOIZQPWKZGABC-ZETCQYMHSA-N 1 2 231.296 0.896 20 0 BCADLO Nc1ncc(C[N@H+]2CCO[C@@H](CF)C2)s1 ZINC000647551707 410640330 /nfs/dbraw/zinc/64/03/30/410640330.db2.gz DSOIZQPWKZGABC-ZETCQYMHSA-N 1 2 231.296 0.896 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1CCO ZINC000661499640 410711890 /nfs/dbraw/zinc/71/18/90/410711890.db2.gz QPDNHWNYTIOTHK-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1CCO ZINC000661499640 410711901 /nfs/dbraw/zinc/71/19/01/410711901.db2.gz QPDNHWNYTIOTHK-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650988403 410678560 /nfs/dbraw/zinc/67/85/60/410678560.db2.gz DVEJHMYYPPEYDB-UHFFFAOYSA-N 1 2 207.277 0.898 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CO)c(C)n1 ZINC000661560802 410826624 /nfs/dbraw/zinc/82/66/24/410826624.db2.gz DXHHAJKODOVHGU-CYBMUJFWSA-N 1 2 236.315 0.892 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CO)c(C)n1 ZINC000661560802 410826631 /nfs/dbraw/zinc/82/66/31/410826631.db2.gz DXHHAJKODOVHGU-CYBMUJFWSA-N 1 2 236.315 0.892 20 0 BCADLO C[C@@H](CC(=O)NCc1cnn(C)c1)n1cc[nH+]c1 ZINC000651168087 410844540 /nfs/dbraw/zinc/84/45/40/410844540.db2.gz IBQXINGYMMHHCP-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000061799622 167046116 /nfs/dbraw/zinc/04/61/16/167046116.db2.gz MRLPVPCEFBASKX-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000061799622 167046118 /nfs/dbraw/zinc/04/61/18/167046118.db2.gz MRLPVPCEFBASKX-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180406061 167049870 /nfs/dbraw/zinc/04/98/70/167049870.db2.gz LWMKTFYVHGDCFL-SNVBAGLBSA-N 1 2 238.335 0.938 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180406061 167049872 /nfs/dbraw/zinc/04/98/72/167049872.db2.gz LWMKTFYVHGDCFL-SNVBAGLBSA-N 1 2 238.335 0.938 20 0 BCADLO CC(C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105066393 167078024 /nfs/dbraw/zinc/07/80/24/167078024.db2.gz SJKMYPVJPBUBMP-GHMZBOCLSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)OCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336660601 167230671 /nfs/dbraw/zinc/23/06/71/167230671.db2.gz AUARFPDITITHBL-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)OCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336660601 167230674 /nfs/dbraw/zinc/23/06/74/167230674.db2.gz AUARFPDITITHBL-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000070100265 167268496 /nfs/dbraw/zinc/26/84/96/167268496.db2.gz NAGWAMFZWPCUCC-LLVKDONJSA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000070100265 167268497 /nfs/dbraw/zinc/26/84/97/167268497.db2.gz NAGWAMFZWPCUCC-LLVKDONJSA-N 1 2 241.335 0.638 20 0 BCADLO CC(C)[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000047617937 167375800 /nfs/dbraw/zinc/37/58/00/167375800.db2.gz LVGDPOPKFJSOLB-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CCF ZINC000652017313 410982945 /nfs/dbraw/zinc/98/29/45/410982945.db2.gz SRKMAAYJSOPPDB-SECBINFHSA-N 1 2 201.245 0.528 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000651418042 410998873 /nfs/dbraw/zinc/99/88/73/410998873.db2.gz QRXFZETZZYOIBB-GHMZBOCLSA-N 1 2 249.314 0.940 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1COCCO1 ZINC000661602145 411014825 /nfs/dbraw/zinc/01/48/25/411014825.db2.gz AGWJNYCSAWMWGN-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1COCCO1 ZINC000661602145 411014831 /nfs/dbraw/zinc/01/48/31/411014831.db2.gz AGWJNYCSAWMWGN-SNVBAGLBSA-N 1 2 212.249 0.522 20 0 BCADLO CCCN(CCO)c1cc(CO)cc[nH+]1 ZINC000042453168 411010433 /nfs/dbraw/zinc/01/04/33/411010433.db2.gz MFMKPELAJYJFEX-UHFFFAOYSA-N 1 2 210.277 0.783 20 0 BCADLO OC[C@H](CCF)Nc1nc[nH+]c2c1OCCN2 ZINC000651462804 411047038 /nfs/dbraw/zinc/04/70/38/411047038.db2.gz BRGOBQUMINUBIB-ZETCQYMHSA-N 1 2 242.254 0.413 20 0 BCADLO OC[C@H](CCF)Nc1[nH+]cnc2c1OCCN2 ZINC000651462804 411047039 /nfs/dbraw/zinc/04/70/39/411047039.db2.gz BRGOBQUMINUBIB-ZETCQYMHSA-N 1 2 242.254 0.413 20 0 BCADLO C[C@H](CCO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000651471678 411052462 /nfs/dbraw/zinc/05/24/62/411052462.db2.gz ALDIURZFHBFHSV-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO C[C@H](CCO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000651471678 411052470 /nfs/dbraw/zinc/05/24/70/411052470.db2.gz ALDIURZFHBFHSV-MRVPVSSYSA-N 1 2 238.291 0.488 20 0 BCADLO Cn1cnc(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000661611964 411054717 /nfs/dbraw/zinc/05/47/17/411054717.db2.gz NBJQICKXJNZLFL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO Cn1cnc(C[N@@H+](C)C[C@H]2COCCO2)c1 ZINC000661611964 411054720 /nfs/dbraw/zinc/05/47/20/411054720.db2.gz NBJQICKXJNZLFL-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO C[C@H](CC(=O)NCC1(CO)CC1)n1cc[nH+]c1 ZINC000651499095 411074050 /nfs/dbraw/zinc/07/40/50/411074050.db2.gz DVFSVZQFTCWRSQ-SNVBAGLBSA-N 1 2 237.303 0.723 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)CCO)n1cc[nH+]c1 ZINC000651521292 411078942 /nfs/dbraw/zinc/07/89/42/411078942.db2.gz IWSBZJUKZRNMER-VHSXEESVSA-N 1 2 225.292 0.721 20 0 BCADLO CCn1ccnc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000661602961 411017447 /nfs/dbraw/zinc/01/74/47/411017447.db2.gz FMXMDNNTWXOSNY-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1ccnc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661602961 411017453 /nfs/dbraw/zinc/01/74/53/411017453.db2.gz FMXMDNNTWXOSNY-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO C[C@H](CC(=O)N(C)C[C@H](C)O)n1cc[nH+]c1 ZINC000651430157 411019630 /nfs/dbraw/zinc/01/96/30/411019630.db2.gz GPOAHPYXLTUGPR-ZJUUUORDSA-N 1 2 225.292 0.673 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000399214347 411025054 /nfs/dbraw/zinc/02/50/54/411025054.db2.gz SUUZFPVFBRRIRR-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000399214347 411025063 /nfs/dbraw/zinc/02/50/63/411025063.db2.gz SUUZFPVFBRRIRR-PSASIEDQSA-N 1 2 237.307 0.353 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](CC(F)F)CC[C@H]2N1 ZINC000661603806 411025795 /nfs/dbraw/zinc/02/57/95/411025795.db2.gz WHEMGRCOOZSCLB-HTQZYQBOSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](CC(F)F)CC[C@H]2N1 ZINC000661603806 411025799 /nfs/dbraw/zinc/02/57/99/411025799.db2.gz WHEMGRCOOZSCLB-HTQZYQBOSA-N 1 2 218.247 0.852 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CCOCC2CC2)C1=O ZINC000659998849 411163517 /nfs/dbraw/zinc/16/35/17/411163517.db2.gz UIJJEFZETONFGB-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CCOCC2CC2)C1=O ZINC000659998849 411163522 /nfs/dbraw/zinc/16/35/22/411163522.db2.gz UIJJEFZETONFGB-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CO[C@@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661686546 411150521 /nfs/dbraw/zinc/15/05/21/411150521.db2.gz JSLHCIPKSYKORM-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO CO[C@@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661686546 411150522 /nfs/dbraw/zinc/15/05/22/411150522.db2.gz JSLHCIPKSYKORM-QMMMGPOBSA-N 1 2 226.280 0.586 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn[nH]c1C ZINC000651937304 411152265 /nfs/dbraw/zinc/15/22/65/411152265.db2.gz CPCBGZWGUKLKNE-WDEREUQCSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn[nH]c1C ZINC000651937304 411152267 /nfs/dbraw/zinc/15/22/67/411152267.db2.gz CPCBGZWGUKLKNE-WDEREUQCSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653663290 411160952 /nfs/dbraw/zinc/16/09/52/411160952.db2.gz SKCXTDJNZXOTFN-MRVPVSSYSA-N 1 2 227.312 0.553 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)C[C@@H]1C ZINC000652041400 411093670 /nfs/dbraw/zinc/09/36/70/411093670.db2.gz MXMFGOCXDBGXEG-JTQLQIEISA-N 1 2 249.314 0.750 20 0 BCADLO CC[N@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)C[C@@H]1C ZINC000652041400 411093673 /nfs/dbraw/zinc/09/36/73/411093673.db2.gz MXMFGOCXDBGXEG-JTQLQIEISA-N 1 2 249.314 0.750 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)C[C@H]1C ZINC000652041401 411093972 /nfs/dbraw/zinc/09/39/72/411093972.db2.gz MXMFGOCXDBGXEG-SNVBAGLBSA-N 1 2 249.314 0.750 20 0 BCADLO CC[N@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)C[C@H]1C ZINC000652041401 411093978 /nfs/dbraw/zinc/09/39/78/411093978.db2.gz MXMFGOCXDBGXEG-SNVBAGLBSA-N 1 2 249.314 0.750 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659877996 411169170 /nfs/dbraw/zinc/16/91/70/411169170.db2.gz JOVCMRLTDPEQOJ-SNVBAGLBSA-N 1 2 237.307 0.077 20 0 BCADLO NC(=O)C[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659877996 411169173 /nfs/dbraw/zinc/16/91/73/411169173.db2.gz JOVCMRLTDPEQOJ-SNVBAGLBSA-N 1 2 237.307 0.077 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](CC)CCO)[nH]1 ZINC000659878087 411169388 /nfs/dbraw/zinc/16/93/88/411169388.db2.gz KJXJGHJBHGKSQH-QMMMGPOBSA-N 1 2 212.297 0.742 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](CC)CCO)[nH]1 ZINC000659878087 411169392 /nfs/dbraw/zinc/16/93/92/411169392.db2.gz KJXJGHJBHGKSQH-QMMMGPOBSA-N 1 2 212.297 0.742 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659877995 411169848 /nfs/dbraw/zinc/16/98/48/411169848.db2.gz JOVCMRLTDPEQOJ-JTQLQIEISA-N 1 2 237.307 0.077 20 0 BCADLO NC(=O)C[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659877995 411169850 /nfs/dbraw/zinc/16/98/50/411169850.db2.gz JOVCMRLTDPEQOJ-JTQLQIEISA-N 1 2 237.307 0.077 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](O)C2)[nH]1 ZINC000659878564 411172342 /nfs/dbraw/zinc/17/23/42/411172342.db2.gz MTTRYNRVAHOTCL-YUMQZZPRSA-N 1 2 210.281 0.495 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](O)C2)[nH]1 ZINC000659878564 411172345 /nfs/dbraw/zinc/17/23/45/411172345.db2.gz MTTRYNRVAHOTCL-YUMQZZPRSA-N 1 2 210.281 0.495 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2COC3(CCC3)C2)n1 ZINC000657938582 411174276 /nfs/dbraw/zinc/17/42/76/411174276.db2.gz MSFPMHCIRBWJSL-VIFPVBQESA-N 1 2 222.292 0.616 20 0 BCADLO C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC(=O)N1C ZINC000660483375 411242923 /nfs/dbraw/zinc/24/29/23/411242923.db2.gz OTIMTUORABSGBW-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC(=O)N1C ZINC000660483375 411242926 /nfs/dbraw/zinc/24/29/26/411242926.db2.gz OTIMTUORABSGBW-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1CC1 ZINC000656106956 411179421 /nfs/dbraw/zinc/17/94/21/411179421.db2.gz CWSMKARYATURIO-UHFFFAOYSA-N 1 2 218.264 0.767 20 0 BCADLO c1nnn2c1C[N@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000653793285 411179835 /nfs/dbraw/zinc/17/98/35/411179835.db2.gz NFDWMMMKVRNXAH-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO c1nnn2c1C[N@@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000653793285 411179839 /nfs/dbraw/zinc/17/98/39/411179839.db2.gz NFDWMMMKVRNXAH-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO COCCOCCNc1nc[nH+]c(C)c1OC ZINC000656111697 411181559 /nfs/dbraw/zinc/18/15/59/411181559.db2.gz ZXBXTNSDFGFFNR-UHFFFAOYSA-N 1 2 241.291 0.869 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@H](O)C1CC1 ZINC000656118279 411182152 /nfs/dbraw/zinc/18/21/52/411182152.db2.gz KYPOFHUHSCBIPU-VIFPVBQESA-N 1 2 223.276 0.976 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1(CO)CC1 ZINC000656134950 411184881 /nfs/dbraw/zinc/18/48/81/411184881.db2.gz NWDWEGOAMYWEPI-UHFFFAOYSA-N 1 2 248.290 0.130 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCOCCO ZINC000656155506 411186341 /nfs/dbraw/zinc/18/63/41/411186341.db2.gz XPZYNKDIBXCNHW-UHFFFAOYSA-N 1 2 225.292 0.904 20 0 BCADLO COC[C@@H](CNc1nc[nH+]c(C)c1OC)OC ZINC000656156163 411186396 /nfs/dbraw/zinc/18/63/96/411186396.db2.gz YEABJBOMRQXTFX-SECBINFHSA-N 1 2 241.291 0.867 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)C2CC2)n1 ZINC000656155665 411186432 /nfs/dbraw/zinc/18/64/32/411186432.db2.gz ZWVWWPFEHXIHGZ-SECBINFHSA-N 1 2 239.323 0.289 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CC2(O)CCC2)n1 ZINC000656154962 411188168 /nfs/dbraw/zinc/18/81/68/411188168.db2.gz DHDMIJARAXJVQR-UHFFFAOYSA-N 1 2 239.323 0.433 20 0 BCADLO C[C@H](C[NH+]1CC2(CC2(F)F)C1)S(C)(=O)=O ZINC000656154809 411188368 /nfs/dbraw/zinc/18/83/68/411188368.db2.gz VYFDXPUJMZCFJB-SSDOTTSWSA-N 1 2 239.287 0.761 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)CCC(N)=O ZINC000656188201 411196686 /nfs/dbraw/zinc/19/66/86/411196686.db2.gz YZKXJJHJPLZFQE-UHFFFAOYSA-N 1 2 224.264 0.105 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H](F)C1 ZINC000656194201 411199179 /nfs/dbraw/zinc/19/91/79/411199179.db2.gz DPBUOIZJIRCTJD-ZCFIWIBFSA-N 1 2 236.254 0.494 20 0 BCADLO Cc1noc(C[N@H+](C)CCc2cn[nH]c2)n1 ZINC000653888817 411209667 /nfs/dbraw/zinc/20/96/67/411209667.db2.gz HVQGHQCNVKSSJL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1noc(C[N@@H+](C)CCc2cn[nH]c2)n1 ZINC000653888817 411209668 /nfs/dbraw/zinc/20/96/68/411209668.db2.gz HVQGHQCNVKSSJL-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO O[C@@H]1CCC[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000656434144 411246137 /nfs/dbraw/zinc/24/61/37/411246137.db2.gz POUITLVIJZJGEL-GHMZBOCLSA-N 1 2 233.275 0.609 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000653896465 411213009 /nfs/dbraw/zinc/21/30/09/411213009.db2.gz AFRHDFCGNFWVCV-MRVPVSSYSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000653896465 411213011 /nfs/dbraw/zinc/21/30/11/411213011.db2.gz AFRHDFCGNFWVCV-MRVPVSSYSA-N 1 2 237.307 0.353 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NC1CC1 ZINC000048727537 411213738 /nfs/dbraw/zinc/21/37/38/411213738.db2.gz BYRJNWXWYGERQQ-UHFFFAOYSA-N 1 2 208.265 0.735 20 0 BCADLO CCc1nnc(C[N@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653901950 411216068 /nfs/dbraw/zinc/21/60/68/411216068.db2.gz HBXMIOQFEBAHHR-QMMMGPOBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653901950 411216069 /nfs/dbraw/zinc/21/60/69/411216069.db2.gz HBXMIOQFEBAHHR-QMMMGPOBSA-N 1 2 224.308 0.712 20 0 BCADLO CCn1ncnc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653901922 411216324 /nfs/dbraw/zinc/21/63/24/411216324.db2.gz GQKJOHBXRFRFNW-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653901922 411216327 /nfs/dbraw/zinc/21/63/27/411216327.db2.gz GQKJOHBXRFRFNW-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1nccc(N)n1)C1CC1 ZINC000653902141 411217299 /nfs/dbraw/zinc/21/72/99/411217299.db2.gz LKTCINCQOHGSCW-MRVPVSSYSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1nccc(N)n1)C1CC1 ZINC000653902141 411217300 /nfs/dbraw/zinc/21/73/00/411217300.db2.gz LKTCINCQOHGSCW-MRVPVSSYSA-N 1 2 222.292 0.404 20 0 BCADLO COCc1noc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000653902213 411217847 /nfs/dbraw/zinc/21/78/47/411217847.db2.gz NLCNIFAZDICTSL-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000653902213 411217849 /nfs/dbraw/zinc/21/78/49/411217849.db2.gz NLCNIFAZDICTSL-QMMMGPOBSA-N 1 2 241.291 0.561 20 0 BCADLO Cn1ncc2c1nc(NC[C@@H]1CC13CC3)[nH+]c2N ZINC000572381807 411225655 /nfs/dbraw/zinc/22/56/55/411225655.db2.gz COOMQKCQMVOACL-ZETCQYMHSA-N 1 2 244.302 1.158 20 0 BCADLO CC(C)n1nnnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000330824515 167805337 /nfs/dbraw/zinc/80/53/37/167805337.db2.gz FJXHYVKNPHQNSI-VIFPVBQESA-N 1 2 249.322 0.838 20 0 BCADLO Cn1ncc2c1nc(C[N@H+](C)C1CC1)[nH]c2=O ZINC000049237691 411229556 /nfs/dbraw/zinc/22/95/56/411229556.db2.gz GGIPMKRQPQXQJK-UHFFFAOYSA-N 1 2 233.275 0.663 20 0 BCADLO Cn1ncc2c1nc(C[N@@H+](C)C1CC1)[nH]c2=O ZINC000049237691 411229559 /nfs/dbraw/zinc/22/95/59/411229559.db2.gz GGIPMKRQPQXQJK-UHFFFAOYSA-N 1 2 233.275 0.663 20 0 BCADLO C[C@@H](NS(=O)(=O)NC1CC1)c1[nH+]ccn1C ZINC000660098843 411230781 /nfs/dbraw/zinc/23/07/81/411230781.db2.gz CKSFCKJVHCEXQY-SSDOTTSWSA-N 1 2 244.320 0.068 20 0 BCADLO Cn1cc[nH+]c1-c1cncc(C(=O)NCCO)c1 ZINC000656371686 411237778 /nfs/dbraw/zinc/23/77/78/411237778.db2.gz OSEKNMOOEKRBKK-UHFFFAOYSA-N 1 2 246.270 0.204 20 0 BCADLO Cn1cc[nH+]c1-c1cncc(OCCO)c1 ZINC000656371251 411239136 /nfs/dbraw/zinc/23/91/36/411239136.db2.gz BDINASZDGBYZIJ-UHFFFAOYSA-N 1 2 219.244 0.853 20 0 BCADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000652772506 411167367 /nfs/dbraw/zinc/16/73/67/411167367.db2.gz OFKWFDZCAUBGHI-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872647 411167438 /nfs/dbraw/zinc/16/74/38/411167438.db2.gz XLJUICZQLXTRAR-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)(C)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656454119 411262082 /nfs/dbraw/zinc/26/20/82/411262082.db2.gz HBNTVJFZDWFGSJ-SNVBAGLBSA-N 1 2 224.308 0.985 20 0 BCADLO Cn1c[nH+]c(CN2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000660153674 411267278 /nfs/dbraw/zinc/26/72/78/411267278.db2.gz DWUWAUGDBSCFSF-LLVKDONJSA-N 1 2 234.303 0.227 20 0 BCADLO CN(C)[C@H](C(=O)NC1CC=CC1)c1c[nH+]cn1C ZINC000652898228 411271584 /nfs/dbraw/zinc/27/15/84/411271584.db2.gz RLLKOTVHIOCLOI-LBPRGKRZSA-N 1 2 248.330 0.858 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@H](C)OC)n1 ZINC000658159523 411272168 /nfs/dbraw/zinc/27/21/68/411272168.db2.gz RGRQKXDVRDTXSD-SFYZADRCSA-N 1 2 228.296 0.464 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)[C@H](C)OC)[nH]1 ZINC000658159523 411272170 /nfs/dbraw/zinc/27/21/70/411272170.db2.gz RGRQKXDVRDTXSD-SFYZADRCSA-N 1 2 228.296 0.464 20 0 BCADLO Nc1ncc2c(n1)CN(Cc1c[nH+]c[nH]1)CC2 ZINC000623293428 411273249 /nfs/dbraw/zinc/27/32/49/411273249.db2.gz UZROCVDWGBLSHI-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO Nc1ncc2c(n1)CN(Cc1c[nH]c[nH+]1)CC2 ZINC000623293428 411273253 /nfs/dbraw/zinc/27/32/53/411273253.db2.gz UZROCVDWGBLSHI-UHFFFAOYSA-N 1 2 230.275 0.340 20 0 BCADLO Cc1nc(NCC[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000631383828 411276382 /nfs/dbraw/zinc/27/63/82/411276382.db2.gz LOMYIYHLZLHISY-SECBINFHSA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N)nc(NCC[C@H]2CCCOC2)[nH+]1 ZINC000631383828 411276386 /nfs/dbraw/zinc/27/63/86/411276386.db2.gz LOMYIYHLZLHISY-SECBINFHSA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N[C@H](C)c2cscn2)nc(N)[nH+]1 ZINC000631365020 411276490 /nfs/dbraw/zinc/27/64/90/411276490.db2.gz LFHHVZDQAIMCBY-RXMQYKEDSA-N 1 2 236.304 0.814 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)c2cscn2)[nH+]1 ZINC000631365020 411276491 /nfs/dbraw/zinc/27/64/91/411276491.db2.gz LFHHVZDQAIMCBY-RXMQYKEDSA-N 1 2 236.304 0.814 20 0 BCADLO Cn1cnnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000653461920 411279680 /nfs/dbraw/zinc/27/96/80/411279680.db2.gz MCCDEEBZEJCYHS-UHFFFAOYSA-N 1 2 244.302 0.537 20 0 BCADLO Cc1nc(N[C@H]2CCC[C@H]2CCO)nc(N)[nH+]1 ZINC000631219417 411284889 /nfs/dbraw/zinc/28/48/89/411284889.db2.gz KRSRGAGGJQZAFK-IUCAKERBSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCC[C@H]2CCO)[nH+]1 ZINC000631219417 411284891 /nfs/dbraw/zinc/28/48/91/411284891.db2.gz KRSRGAGGJQZAFK-IUCAKERBSA-N 1 2 237.307 0.725 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2cn(C)nn2)O1 ZINC000661744337 411302310 /nfs/dbraw/zinc/30/23/10/411302310.db2.gz GLEYWLBTCUQUSR-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cn(C)nn2)O1 ZINC000661744337 411302313 /nfs/dbraw/zinc/30/23/13/411302313.db2.gz GLEYWLBTCUQUSR-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO COc1cc(C[N@H+](CC(N)=O)C(C)C)sn1 ZINC000659823853 411307355 /nfs/dbraw/zinc/30/73/55/411307355.db2.gz YQWMKUSRTBZBHV-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO COc1cc(C[N@@H+](CC(N)=O)C(C)C)sn1 ZINC000659823853 411307358 /nfs/dbraw/zinc/30/73/58/411307358.db2.gz YQWMKUSRTBZBHV-UHFFFAOYSA-N 1 2 243.332 0.847 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000659828854 411311128 /nfs/dbraw/zinc/31/11/28/411311128.db2.gz IVKDBOUCBOJOCI-RKDXNWHRSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000659828854 411311131 /nfs/dbraw/zinc/31/11/31/411311131.db2.gz IVKDBOUCBOJOCI-RKDXNWHRSA-N 1 2 224.308 0.885 20 0 BCADLO CCN1CC[C@H]([NH2+][C@H](C)c2csnn2)C1=O ZINC000656676594 411321839 /nfs/dbraw/zinc/32/18/39/411321839.db2.gz OVLLIDNXUDSJNW-SFYZADRCSA-N 1 2 240.332 0.810 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1-c1cccnc1 ZINC000656437019 411248631 /nfs/dbraw/zinc/24/86/31/411248631.db2.gz VDGIATVDHPLNEB-LLVKDONJSA-N 1 2 231.259 0.323 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1Cc1ccccc1 ZINC000656432121 411249981 /nfs/dbraw/zinc/24/99/81/411249981.db2.gz ZGQGHYRUODLZKI-ZDUSSCGKSA-N 1 2 244.298 0.987 20 0 BCADLO CSCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886277 411255706 /nfs/dbraw/zinc/25/57/06/411255706.db2.gz PQRNBVKYCKRIBS-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO C[C@H](CN(C)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC000660142690 411258424 /nfs/dbraw/zinc/25/84/24/411258424.db2.gz BUKFHUKWSBPPAL-SECBINFHSA-N 1 2 245.348 0.522 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2nccnc2C1 ZINC000662125957 411363900 /nfs/dbraw/zinc/36/39/00/411363900.db2.gz UTNRCVRAAZEOKE-VIFPVBQESA-N 1 2 246.314 0.502 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2nccnc2C1 ZINC000662125957 411363902 /nfs/dbraw/zinc/36/39/02/411363902.db2.gz UTNRCVRAAZEOKE-VIFPVBQESA-N 1 2 246.314 0.502 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000652958906 411364378 /nfs/dbraw/zinc/36/43/78/411364378.db2.gz UIJSNKJPFGFIQA-JTQLQIEISA-N 1 2 239.319 0.582 20 0 BCADLO C[C@@H](NC(=O)Cn1cccn1)c1[nH]cc[nH+]1 ZINC000125376787 411368523 /nfs/dbraw/zinc/36/85/23/411368523.db2.gz DGXFGIYRTUSJSE-MRVPVSSYSA-N 1 2 219.248 0.484 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H](CO)CCF ZINC000652916997 411337148 /nfs/dbraw/zinc/33/71/48/411337148.db2.gz OESGUAAVSFEDSJ-VIFPVBQESA-N 1 2 229.255 0.110 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288606539 168000405 /nfs/dbraw/zinc/00/04/05/168000405.db2.gz QOXDHUPDXNUGDK-IUCAKERBSA-N 1 2 237.303 0.618 20 0 BCADLO Cn1c[nH+]cc1C[N@@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656761244 411345151 /nfs/dbraw/zinc/34/51/51/411345151.db2.gz QBKGXANFUGLSQM-UHFFFAOYSA-N 1 2 221.260 0.469 20 0 BCADLO Cn1c[nH+]cc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656761244 411345152 /nfs/dbraw/zinc/34/51/52/411345152.db2.gz QBKGXANFUGLSQM-UHFFFAOYSA-N 1 2 221.260 0.469 20 0 BCADLO CC1(CO)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000358042719 168051214 /nfs/dbraw/zinc/05/12/14/168051214.db2.gz VSMZJQIOKSUCDV-UHFFFAOYSA-N 1 2 226.280 0.105 20 0 BCADLO CC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328718751 168068438 /nfs/dbraw/zinc/06/84/38/168068438.db2.gz VERAFYMGZBEVQN-VIFPVBQESA-N 1 2 235.287 0.039 20 0 BCADLO CC1(O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000276127983 168069676 /nfs/dbraw/zinc/06/96/76/168069676.db2.gz AUWLXJSBWDXKIS-UHFFFAOYSA-N 1 2 205.261 0.925 20 0 BCADLO CC1=C(C)C[N@H+](Cc2nnn(C)n2)CC1 ZINC000281596267 168084068 /nfs/dbraw/zinc/08/40/68/168084068.db2.gz HMNLCXQBPJRVRM-UHFFFAOYSA-N 1 2 207.281 0.752 20 0 BCADLO CC1=C(C)C[N@@H+](Cc2nnn(C)n2)CC1 ZINC000281596267 168084071 /nfs/dbraw/zinc/08/40/71/168084071.db2.gz HMNLCXQBPJRVRM-UHFFFAOYSA-N 1 2 207.281 0.752 20 0 BCADLO C[C@H](C(=O)N1CC(C)C1)[NH+]1CCOCC1 ZINC000336513895 168188869 /nfs/dbraw/zinc/18/88/69/168188869.db2.gz ZCJCLAXLOQXXES-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000338192209 168188888 /nfs/dbraw/zinc/18/88/88/168188888.db2.gz PYEPUFMEQCQRFS-SNVBAGLBSA-N 1 2 219.288 0.924 20 0 BCADLO CC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000338192208 168190572 /nfs/dbraw/zinc/19/05/72/168190572.db2.gz PYEPUFMEQCQRFS-JTQLQIEISA-N 1 2 219.288 0.924 20 0 BCADLO CC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337879534 168191919 /nfs/dbraw/zinc/19/19/19/168191919.db2.gz SWABAFWQYPOXOO-UHFFFAOYSA-N 1 2 203.249 0.819 20 0 BCADLO CCC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331239132 168221136 /nfs/dbraw/zinc/22/11/36/168221136.db2.gz MBVGMNBDESVJPW-SECBINFHSA-N 1 2 243.307 0.091 20 0 BCADLO CCC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331239132 168221138 /nfs/dbraw/zinc/22/11/38/168221138.db2.gz MBVGMNBDESVJPW-SECBINFHSA-N 1 2 243.307 0.091 20 0 BCADLO CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000102403523 168221210 /nfs/dbraw/zinc/22/12/10/168221210.db2.gz OQYKDIINFPAZLT-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404193697 411382142 /nfs/dbraw/zinc/38/21/42/411382142.db2.gz LXSZZVWKJRVOHD-NSHDSACASA-N 1 2 225.292 0.349 20 0 BCADLO CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000330610445 168232385 /nfs/dbraw/zinc/23/23/85/168232385.db2.gz UMDOIYSUNYMJDS-JTQLQIEISA-N 1 2 242.319 0.398 20 0 BCADLO CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000330610445 168232386 /nfs/dbraw/zinc/23/23/86/168232386.db2.gz UMDOIYSUNYMJDS-JTQLQIEISA-N 1 2 242.319 0.398 20 0 BCADLO O[C@]1(CC[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000404207880 411382897 /nfs/dbraw/zinc/38/28/97/411382897.db2.gz OCEDJMJTLLKAMD-SNVBAGLBSA-N 1 2 211.265 0.041 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000331151148 168240370 /nfs/dbraw/zinc/24/03/70/168240370.db2.gz HYZTULDCILHTPO-NSHDSACASA-N 1 2 248.330 0.967 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000331151148 168240373 /nfs/dbraw/zinc/24/03/73/168240373.db2.gz HYZTULDCILHTPO-NSHDSACASA-N 1 2 248.330 0.967 20 0 BCADLO CCC(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000035270398 168264520 /nfs/dbraw/zinc/26/45/20/168264520.db2.gz KMOTYIAAVTVTNY-UHFFFAOYSA-N 1 2 228.336 0.871 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340223179 168289728 /nfs/dbraw/zinc/28/97/28/168289728.db2.gz SPECLRKPXMCSOL-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340223179 168289730 /nfs/dbraw/zinc/28/97/30/168289730.db2.gz SPECLRKPXMCSOL-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622348 168290747 /nfs/dbraw/zinc/29/07/47/168290747.db2.gz BIICKQHEEIOGOK-GFCCVEGCSA-N 1 2 246.326 0.698 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338622348 168290748 /nfs/dbraw/zinc/29/07/48/168290748.db2.gz BIICKQHEEIOGOK-GFCCVEGCSA-N 1 2 246.326 0.698 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C(C)(C)O ZINC000654850317 411455530 /nfs/dbraw/zinc/45/55/30/411455530.db2.gz MWCGBCPCGLNDKD-RKDXNWHRSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C(C)(C)O ZINC000654850317 411455532 /nfs/dbraw/zinc/45/55/32/411455532.db2.gz MWCGBCPCGLNDKD-RKDXNWHRSA-N 1 2 239.319 0.864 20 0 BCADLO CCN(CCOC)C(=O)Cc1[nH]c[nH+]c1C ZINC000286556349 411459280 /nfs/dbraw/zinc/45/92/80/411459280.db2.gz AYGNCAWUBSCQRD-UHFFFAOYSA-N 1 2 225.292 0.756 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000659812137 411460760 /nfs/dbraw/zinc/46/07/60/411460760.db2.gz PGCIYVLODLNURQ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000659812137 411460762 /nfs/dbraw/zinc/46/07/62/411460762.db2.gz PGCIYVLODLNURQ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(CO)CC1 ZINC000654897526 411461010 /nfs/dbraw/zinc/46/10/10/411461010.db2.gz VODAGIGXTBSVAJ-VIFPVBQESA-N 1 2 237.303 0.477 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(CO)CC1 ZINC000654897526 411461012 /nfs/dbraw/zinc/46/10/12/411461012.db2.gz VODAGIGXTBSVAJ-VIFPVBQESA-N 1 2 237.303 0.477 20 0 BCADLO CC[N@H+](Cc1ccc(OC)nn1)C1COC1 ZINC000451283030 411403265 /nfs/dbraw/zinc/40/32/65/411403265.db2.gz FANQCZJXOIHDAX-UHFFFAOYSA-N 1 2 223.276 0.706 20 0 BCADLO CC[N@@H+](Cc1ccc(OC)nn1)C1COC1 ZINC000451283030 411403269 /nfs/dbraw/zinc/40/32/69/411403269.db2.gz FANQCZJXOIHDAX-UHFFFAOYSA-N 1 2 223.276 0.706 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@H](O)C1(C)C ZINC000131084283 411405691 /nfs/dbraw/zinc/40/56/91/411405691.db2.gz LJCXOSYKZQTSBE-NKWVEPMBSA-N 1 2 238.291 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@H](O)C1(C)C ZINC000131084283 411405693 /nfs/dbraw/zinc/40/56/93/411405693.db2.gz LJCXOSYKZQTSBE-NKWVEPMBSA-N 1 2 238.291 0.639 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc[nH]n1 ZINC000654540991 411410340 /nfs/dbraw/zinc/41/03/40/411410340.db2.gz UJKYLDKPIVFIBR-ZCFIWIBFSA-N 1 2 220.236 0.345 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc[nH]n1 ZINC000654540991 411410342 /nfs/dbraw/zinc/41/03/42/411410342.db2.gz UJKYLDKPIVFIBR-ZCFIWIBFSA-N 1 2 220.236 0.345 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)CO ZINC000654908990 411462265 /nfs/dbraw/zinc/46/22/65/411462265.db2.gz QSAYDRQVXSSFSC-DTWKUNHWSA-N 1 2 225.292 0.333 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)CO ZINC000654908990 411462267 /nfs/dbraw/zinc/46/22/67/411462267.db2.gz QSAYDRQVXSSFSC-DTWKUNHWSA-N 1 2 225.292 0.333 20 0 BCADLO CC(=O)c1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)on1 ZINC000653595459 411431892 /nfs/dbraw/zinc/43/18/92/411431892.db2.gz JEZOSTSDHFWACT-WRWORJQWSA-N 1 2 224.260 0.690 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)on1 ZINC000653595459 411431895 /nfs/dbraw/zinc/43/18/95/411431895.db2.gz JEZOSTSDHFWACT-WRWORJQWSA-N 1 2 224.260 0.690 20 0 BCADLO CC(C)(C)n1nnc(CNCCn2cc[nH+]c2)n1 ZINC000657288737 411450901 /nfs/dbraw/zinc/45/09/01/411450901.db2.gz JJKMSAITKIFBAD-UHFFFAOYSA-N 1 2 249.322 0.414 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657292481 411453149 /nfs/dbraw/zinc/45/31/49/411453149.db2.gz LDZXIOLIVJNEPU-MRVPVSSYSA-N 1 2 210.281 0.332 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657292477 411453328 /nfs/dbraw/zinc/45/33/28/411453328.db2.gz KYXJCJZQEWCOIB-SECBINFHSA-N 1 2 236.319 0.444 20 0 BCADLO CCc1nnc([C@H](C)[NH+]2CCC(O)CC2)[nH]1 ZINC000659832941 411468323 /nfs/dbraw/zinc/46/83/23/411468323.db2.gz FEQHQZPSIOJCOS-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000654977554 411469324 /nfs/dbraw/zinc/46/93/24/411469324.db2.gz BUQFMKSJBRAWKK-WCABBAIRSA-N 1 2 237.303 0.428 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000654977554 411469326 /nfs/dbraw/zinc/46/93/26/411469326.db2.gz BUQFMKSJBRAWKK-WCABBAIRSA-N 1 2 237.303 0.428 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H](CO)CC2CC2)C1 ZINC000654979596 411470176 /nfs/dbraw/zinc/47/01/76/411470176.db2.gz PHLHRZSWBQBSHK-LLVKDONJSA-N 1 2 240.347 0.605 20 0 BCADLO CC[C@](C)(CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657345836 411470670 /nfs/dbraw/zinc/47/06/70/411470670.db2.gz RIJNJVZKOKUBPE-LLVKDONJSA-N 1 2 241.339 0.679 20 0 BCADLO CC[C@@](C)(CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657345837 411471100 /nfs/dbraw/zinc/47/11/00/411471100.db2.gz RIJNJVZKOKUBPE-NSHDSACASA-N 1 2 241.339 0.679 20 0 BCADLO COc1ccc(C(=O)NCCc2c[nH+]cn2C)o1 ZINC000654994457 411472568 /nfs/dbraw/zinc/47/25/68/411472568.db2.gz MASPHILZMBODID-UHFFFAOYSA-N 1 2 249.270 0.994 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)CO)CC2 ZINC000654993427 411472684 /nfs/dbraw/zinc/47/26/84/411472684.db2.gz PTQBIDMNFOHLKS-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC[C@@H]1O ZINC000127157883 411472694 /nfs/dbraw/zinc/47/26/94/411472694.db2.gz QCEYNNKALLHXHO-ONGXEEELSA-N 1 2 222.288 0.781 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000655009076 411475921 /nfs/dbraw/zinc/47/59/21/411475921.db2.gz AGIMREQNDSNKDL-MWLCHTKSSA-N 1 2 249.314 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000655009076 411475924 /nfs/dbraw/zinc/47/59/24/411475924.db2.gz AGIMREQNDSNKDL-MWLCHTKSSA-N 1 2 249.314 0.572 20 0 BCADLO CC(C)[N@H+](Cc1cc(=O)c(O)co1)C1COC1 ZINC000295438939 411477909 /nfs/dbraw/zinc/47/79/09/411477909.db2.gz OOYFQGGYWSOFMU-UHFFFAOYSA-N 1 2 239.271 0.955 20 0 BCADLO CC(C)[N@@H+](Cc1cc(=O)c(O)co1)C1COC1 ZINC000295438939 411477913 /nfs/dbraw/zinc/47/79/13/411477913.db2.gz OOYFQGGYWSOFMU-UHFFFAOYSA-N 1 2 239.271 0.955 20 0 BCADLO CC(C)[C@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657367680 411480711 /nfs/dbraw/zinc/48/07/11/411480711.db2.gz SLCRHIWJRQSZBA-SECBINFHSA-N 1 2 241.339 0.535 20 0 BCADLO OCC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659881232 411489643 /nfs/dbraw/zinc/48/96/43/411489643.db2.gz GLWYBINYRHJSIU-JTQLQIEISA-N 1 2 224.308 0.442 20 0 BCADLO OCC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659881232 411489644 /nfs/dbraw/zinc/48/96/44/411489644.db2.gz GLWYBINYRHJSIU-JTQLQIEISA-N 1 2 224.308 0.442 20 0 BCADLO Cc1[nH]c(CN[C@H]2CCCN(C)C2=O)[nH+]c1C ZINC000657387350 411490326 /nfs/dbraw/zinc/49/03/26/411490326.db2.gz OOVIRRLVONELPM-JTQLQIEISA-N 1 2 236.319 0.737 20 0 BCADLO C[C@H](CF)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655080005 411490631 /nfs/dbraw/zinc/49/06/31/411490631.db2.gz YHXGOVBXXBKCCW-MRVPVSSYSA-N 1 2 202.273 0.802 20 0 BCADLO C[N@H+](CC(=O)Nc1cnccn1)[C@@H]1CCOC1 ZINC000659907499 411494266 /nfs/dbraw/zinc/49/42/66/411494266.db2.gz GYNVOHZFANAJJM-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO C[N@@H+](CC(=O)Nc1cnccn1)[C@@H]1CCOC1 ZINC000659907499 411494269 /nfs/dbraw/zinc/49/42/69/411494269.db2.gz GYNVOHZFANAJJM-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000655104891 411495706 /nfs/dbraw/zinc/49/57/06/411495706.db2.gz QSRCCZZYSRFCNI-DVVUODLYSA-N 1 2 235.287 0.588 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000655104891 411495709 /nfs/dbraw/zinc/49/57/09/411495709.db2.gz QSRCCZZYSRFCNI-DVVUODLYSA-N 1 2 235.287 0.588 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660423291 411497485 /nfs/dbraw/zinc/49/74/85/411497485.db2.gz OVOVSDRKLZCXFD-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660423291 411497487 /nfs/dbraw/zinc/49/74/87/411497487.db2.gz OVOVSDRKLZCXFD-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C2(CO)CC2)n1 ZINC000657415935 411499766 /nfs/dbraw/zinc/49/97/66/411499766.db2.gz PKRZRWSBKIEUQZ-UHFFFAOYSA-N 1 2 225.296 0.043 20 0 BCADLO C[C@@H](O)C[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657431672 411505063 /nfs/dbraw/zinc/50/50/63/411505063.db2.gz IDYHBDUBXGFDSX-DTWKUNHWSA-N 1 2 241.339 0.677 20 0 BCADLO Cc1c[nH]c(C[NH2+]CCc2n[nH]c(C)n2)n1 ZINC000657424529 411505203 /nfs/dbraw/zinc/50/52/03/411505203.db2.gz XLWMXVRWIIOZDN-UHFFFAOYSA-N 1 2 220.280 0.477 20 0 BCADLO Cc1c[nH]c(C[NH2+]CCc2nnc(C)[nH]2)n1 ZINC000657424529 411505204 /nfs/dbraw/zinc/50/52/04/411505204.db2.gz XLWMXVRWIIOZDN-UHFFFAOYSA-N 1 2 220.280 0.477 20 0 BCADLO Cn1cc(C[NH2+]Cc2ccnn2CC2CC2)nn1 ZINC000657432392 411506238 /nfs/dbraw/zinc/50/62/38/411506238.db2.gz MZVDSMKGABHTLR-UHFFFAOYSA-N 1 2 246.318 0.711 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H](C)O)[nH]1 ZINC000659953763 411509303 /nfs/dbraw/zinc/50/93/03/411509303.db2.gz UNYQHLGMIQXECH-SFYZADRCSA-N 1 2 212.297 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)O)[nH]1 ZINC000659953763 411509306 /nfs/dbraw/zinc/50/93/06/411509306.db2.gz UNYQHLGMIQXECH-SFYZADRCSA-N 1 2 212.297 0.741 20 0 BCADLO Cn1c[nH+]c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000659968851 411513669 /nfs/dbraw/zinc/51/36/69/411513669.db2.gz BYRVAPMKBGYBIK-PHIMTYICSA-N 1 2 207.277 0.783 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660442968 411515397 /nfs/dbraw/zinc/51/53/97/411515397.db2.gz ZTJVXYIBFOFFJS-JQWIXIFHSA-N 1 2 238.335 0.973 20 0 BCADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660442968 411515399 /nfs/dbraw/zinc/51/53/99/411515399.db2.gz ZTJVXYIBFOFFJS-JQWIXIFHSA-N 1 2 238.335 0.973 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H](C)C(=O)N2CCCC2)n1 ZINC000657456539 411515819 /nfs/dbraw/zinc/51/58/19/411515819.db2.gz RTPGPELUPRXMBO-JTQLQIEISA-N 1 2 236.319 0.819 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H](C)C(=O)NCCF)n1 ZINC000657459457 411517355 /nfs/dbraw/zinc/51/73/55/411517355.db2.gz UXCNACYZOBNDDB-QMMMGPOBSA-N 1 2 228.271 0.282 20 0 BCADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814625 411523419 /nfs/dbraw/zinc/52/34/19/411523419.db2.gz NTLDICCXNDZXKC-BDAKNGLRSA-N 1 2 241.339 0.941 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCOC1 ZINC000654947999 411466611 /nfs/dbraw/zinc/46/66/11/411466611.db2.gz XHFOSJVLHAFWJZ-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCOC1 ZINC000654947999 411466614 /nfs/dbraw/zinc/46/66/14/411466614.db2.gz XHFOSJVLHAFWJZ-IUCAKERBSA-N 1 2 223.276 0.493 20 0 BCADLO Cn1cnc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000660118193 411539622 /nfs/dbraw/zinc/53/96/22/411539622.db2.gz BEORKXSFYCXHQN-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cnc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000660118193 411539623 /nfs/dbraw/zinc/53/96/23/411539623.db2.gz BEORKXSFYCXHQN-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CC[N@@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341126726 170028118 /nfs/dbraw/zinc/02/81/18/170028118.db2.gz LQQBIIMUVSSHFA-RKDXNWHRSA-N 1 2 239.323 0.425 20 0 BCADLO CC[N@H+]1C[C@@H](C)N(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC000341126726 170028119 /nfs/dbraw/zinc/02/81/19/170028119.db2.gz LQQBIIMUVSSHFA-RKDXNWHRSA-N 1 2 239.323 0.425 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000660119682 411539727 /nfs/dbraw/zinc/53/97/27/411539727.db2.gz UFUZQGJPTLLEPM-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000660119682 411539728 /nfs/dbraw/zinc/53/97/28/411539728.db2.gz UFUZQGJPTLLEPM-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@@H](C)C1 ZINC000309980761 170035215 /nfs/dbraw/zinc/03/52/15/170035215.db2.gz WBIIGFDAYHZGTG-DRZSPHRISA-N 1 2 226.364 0.935 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCC(=O)NC(C)C)[C@@H](C)C1 ZINC000358003526 170035300 /nfs/dbraw/zinc/03/53/00/170035300.db2.gz IRORQXPMWNZAOT-RYUDHWBXSA-N 1 2 241.379 0.831 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000336662176 170035520 /nfs/dbraw/zinc/03/55/20/170035520.db2.gz SXEVONCYGYLIAU-DCAQKATOSA-N 1 2 200.326 0.687 20 0 BCADLO CCNC(=O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366683569 170049916 /nfs/dbraw/zinc/04/99/16/170049916.db2.gz VLISVSBFFMYMCJ-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CCNC(=O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366683569 170049918 /nfs/dbraw/zinc/04/99/18/170049918.db2.gz VLISVSBFFMYMCJ-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CCNC(=O)CC[N@H+](C)Cc1ccon1 ZINC000265831729 170050600 /nfs/dbraw/zinc/05/06/00/170050600.db2.gz UMYQQYFAFTXXNC-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CCNC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000265831729 170050602 /nfs/dbraw/zinc/05/06/02/170050602.db2.gz UMYQQYFAFTXXNC-UHFFFAOYSA-N 1 2 211.265 0.633 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)NC1CC1 ZINC000102688971 170057573 /nfs/dbraw/zinc/05/75/73/170057573.db2.gz LMEOMOSWOGKYMP-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)NC1CC1 ZINC000102688971 170057574 /nfs/dbraw/zinc/05/75/74/170057574.db2.gz LMEOMOSWOGKYMP-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363936405 170059471 /nfs/dbraw/zinc/05/94/71/170059471.db2.gz DBIZDJXOWUYOPM-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363936405 170059473 /nfs/dbraw/zinc/05/94/73/170059473.db2.gz DBIZDJXOWUYOPM-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000368448172 170060723 /nfs/dbraw/zinc/06/07/23/170060723.db2.gz YHHKJLZHIWOCIJ-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000368448172 170060725 /nfs/dbraw/zinc/06/07/25/170060725.db2.gz YHHKJLZHIWOCIJ-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370031836 170061596 /nfs/dbraw/zinc/06/15/96/170061596.db2.gz HZSPJCKTXTZZTJ-ONGXEEELSA-N 1 2 226.320 0.622 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370031836 170061597 /nfs/dbraw/zinc/06/15/97/170061597.db2.gz HZSPJCKTXTZZTJ-ONGXEEELSA-N 1 2 226.320 0.622 20 0 BCADLO CN(C)C(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000660141027 411544087 /nfs/dbraw/zinc/54/40/87/411544087.db2.gz DLKPTVVTKNRRPH-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CN(C)C(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000660141027 411544089 /nfs/dbraw/zinc/54/40/89/411544089.db2.gz DLKPTVVTKNRRPH-UHFFFAOYSA-N 1 2 210.281 0.320 20 0 BCADLO CCNC(=O)NCCNc1cccc[nH+]1 ZINC000047500498 170079277 /nfs/dbraw/zinc/07/92/77/170079277.db2.gz VIUBUWZICLHYGB-UHFFFAOYSA-N 1 2 208.265 0.813 20 0 BCADLO CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178689688 170082766 /nfs/dbraw/zinc/08/27/66/170082766.db2.gz ICBJZBFDFGPNIY-SNVBAGLBSA-N 1 2 234.303 0.979 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233480474 170090044 /nfs/dbraw/zinc/09/00/44/170090044.db2.gz FCPBQWCZJMWASA-RXMQYKEDSA-N 1 2 243.698 0.649 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233480474 170090047 /nfs/dbraw/zinc/09/00/47/170090047.db2.gz FCPBQWCZJMWASA-RXMQYKEDSA-N 1 2 243.698 0.649 20 0 BCADLO CCNC(=O)[C@@H]([NH2+]Cc1csnn1)C(C)C ZINC000293570668 170092047 /nfs/dbraw/zinc/09/20/47/170092047.db2.gz GYQCROCGJAWSSJ-VIFPVBQESA-N 1 2 242.348 0.788 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1cocn1)C(C)C ZINC000339428311 170098228 /nfs/dbraw/zinc/09/82/28/170098228.db2.gz IENISMNQPCMSSL-SNVBAGLBSA-N 1 2 225.292 0.925 20 0 BCADLO CCNC(=O)[C@H]([NH2+]Cc1nnc(C)[nH]1)C(C)C ZINC000339322497 170098396 /nfs/dbraw/zinc/09/83/96/170098396.db2.gz XXIOYDIYGNHFIG-SNVBAGLBSA-N 1 2 239.323 0.363 20 0 BCADLO CCNS(=O)(=O)NCCc1cc[nH+]cc1C ZINC000269918460 170135264 /nfs/dbraw/zinc/13/52/64/170135264.db2.gz AJTQWIPHSTYVDW-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO COC[C@H](C[N@@H+]1CCC(F)(F)C1)OC ZINC000660216697 411554334 /nfs/dbraw/zinc/55/43/34/411554334.db2.gz ZMMDDPAZQKVBBS-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO COC[C@H](C[N@H+]1CCC(F)(F)C1)OC ZINC000660216697 411554335 /nfs/dbraw/zinc/55/43/35/411554335.db2.gz ZMMDDPAZQKVBBS-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO COC[C@@H](C[N@@H+]1CCC(F)(F)C1)OC ZINC000660216696 411554660 /nfs/dbraw/zinc/55/46/60/411554660.db2.gz ZMMDDPAZQKVBBS-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO COC[C@@H](C[N@H+]1CCC(F)(F)C1)OC ZINC000660216696 411554661 /nfs/dbraw/zinc/55/46/61/411554661.db2.gz ZMMDDPAZQKVBBS-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@H](c1nccc(N)n1)N(C)Cc1[nH]cc[nH+]1 ZINC000660141871 411545129 /nfs/dbraw/zinc/54/51/29/411545129.db2.gz KDPUKZNPVGRCJB-MRVPVSSYSA-N 1 2 232.291 0.975 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1nccc(N)n1 ZINC000660143023 411545201 /nfs/dbraw/zinc/54/52/01/411545201.db2.gz PFVILEPXIQJGGC-UHFFFAOYSA-N 1 2 218.264 0.414 20 0 BCADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@H]2C)co1 ZINC000660145646 411545457 /nfs/dbraw/zinc/54/54/57/411545457.db2.gz VCHCJKKPSNZZQD-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@H]2C)co1 ZINC000660145646 411545458 /nfs/dbraw/zinc/54/54/58/411545458.db2.gz VCHCJKKPSNZZQD-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000660150278 411547487 /nfs/dbraw/zinc/54/74/87/411547487.db2.gz HTEUCDZZHHQRMJ-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCOC[C@H]1C1CC1 ZINC000660150278 411547489 /nfs/dbraw/zinc/54/74/89/411547489.db2.gz HTEUCDZZHHQRMJ-NSHDSACASA-N 1 2 222.292 0.458 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCN1CCCC1=O ZINC000121540877 170186889 /nfs/dbraw/zinc/18/68/89/170186889.db2.gz TVEOMMSIGKMBRD-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC1(C)COC1 ZINC000309032314 170187668 /nfs/dbraw/zinc/18/76/68/170187668.db2.gz FPTKMGVNTMBSKR-UHFFFAOYSA-N 1 2 215.293 0.954 20 0 BCADLO CCOC(=O)C1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000266835879 170189529 /nfs/dbraw/zinc/18/95/29/170189529.db2.gz MBOOCLFVMVTFBX-UHFFFAOYSA-N 1 2 237.259 0.369 20 0 BCADLO CCOC(=O)C1(F)CN(c2cc[nH+]c(C)n2)C1 ZINC000374623862 170190386 /nfs/dbraw/zinc/19/03/86/170190386.db2.gz XOYKOAAGSVFIBF-UHFFFAOYSA-N 1 2 239.250 0.876 20 0 BCADLO CCOC(=O)CCCC[N@H+](C)Cc1nnc[nH]1 ZINC000174821405 170199545 /nfs/dbraw/zinc/19/95/45/170199545.db2.gz CUVSUSUUYQAPNT-UHFFFAOYSA-N 1 2 240.307 0.970 20 0 BCADLO CCOC(=O)CCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000174821405 170199546 /nfs/dbraw/zinc/19/95/46/170199546.db2.gz CUVSUSUUYQAPNT-UHFFFAOYSA-N 1 2 240.307 0.970 20 0 BCADLO CCOC(=O)CCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275622850 170202710 /nfs/dbraw/zinc/20/27/10/170202710.db2.gz UPDMXCVTBJZPBV-VIFPVBQESA-N 1 2 240.307 0.809 20 0 BCADLO CCOC(=O)CC[N@H+](CC(=O)OC)C1CC1 ZINC000357087502 170204632 /nfs/dbraw/zinc/20/46/32/170204632.db2.gz MMNAHDLKFMWBOJ-UHFFFAOYSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)CC[N@@H+](CC(=O)OC)C1CC1 ZINC000357087502 170204633 /nfs/dbraw/zinc/20/46/33/170204633.db2.gz MMNAHDLKFMWBOJ-UHFFFAOYSA-N 1 2 229.276 0.577 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352760810 170207228 /nfs/dbraw/zinc/20/72/28/170207228.db2.gz RBNOUOFHDLNIKZ-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352760810 170207229 /nfs/dbraw/zinc/20/72/29/170207229.db2.gz RBNOUOFHDLNIKZ-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352760811 170207303 /nfs/dbraw/zinc/20/73/03/170207303.db2.gz RBNOUOFHDLNIKZ-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352760811 170207305 /nfs/dbraw/zinc/20/73/05/170207305.db2.gz RBNOUOFHDLNIKZ-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000336782230 170209865 /nfs/dbraw/zinc/20/98/65/170209865.db2.gz XAKNEIOTKUQNFY-SSDOTTSWSA-N 1 2 227.264 0.982 20 0 BCADLO CCOC(=O)CC[NH2+][C@@](C)(CC)C(=O)OC ZINC000336778350 170210179 /nfs/dbraw/zinc/21/01/79/170210179.db2.gz LDKVLOIPHAZIFH-NSHDSACASA-N 1 2 231.292 0.871 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)C[C@@H](C)OC ZINC000360009208 170217626 /nfs/dbraw/zinc/21/76/26/170217626.db2.gz AXUKEXAITUXRHX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)C[C@@H](C)OC ZINC000360009208 170217627 /nfs/dbraw/zinc/21/76/27/170217627.db2.gz AXUKEXAITUXRHX-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)CN(Cc1[nH+]ccn1C)C1CC1 ZINC000050063923 170218248 /nfs/dbraw/zinc/21/82/48/170218248.db2.gz JFOGBXITKSTRIC-UHFFFAOYSA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000341877510 170219103 /nfs/dbraw/zinc/21/91/03/170219103.db2.gz RNAVJTGWOJXUQN-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000376132211 170219192 /nfs/dbraw/zinc/21/91/92/170219192.db2.gz LPKVFEOYYRGAJA-VIFPVBQESA-N 1 2 213.277 0.518 20 0 BCADLO CCOC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000341909331 170220603 /nfs/dbraw/zinc/22/06/03/170220603.db2.gz HEJMZTNCJCKAOH-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO CCOC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000341909331 170220604 /nfs/dbraw/zinc/22/06/04/170220604.db2.gz HEJMZTNCJCKAOH-UHFFFAOYSA-N 1 2 213.277 0.662 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)CS1(=O)=O ZINC000657636530 411567621 /nfs/dbraw/zinc/56/76/21/411567621.db2.gz GZXIJBQBQKFLAX-BDAKNGLRSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000309489734 170226665 /nfs/dbraw/zinc/22/66/65/170226665.db2.gz WSRMYXBIQLMBJF-NXEZZACHSA-N 1 2 231.292 0.333 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000309489739 170226693 /nfs/dbraw/zinc/22/66/93/170226693.db2.gz WSRMYXBIQLMBJF-ZJUUUORDSA-N 1 2 231.292 0.333 20 0 BCADLO C[C@H](O)[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660232843 411556786 /nfs/dbraw/zinc/55/67/86/411556786.db2.gz NMQSURDHMHGDEK-IUCAKERBSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H](O)[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660232843 411556787 /nfs/dbraw/zinc/55/67/87/411556787.db2.gz NMQSURDHMHGDEK-IUCAKERBSA-N 1 2 210.281 0.050 20 0 BCADLO COC[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000660237998 411557347 /nfs/dbraw/zinc/55/73/47/411557347.db2.gz DTSFDIYLQULLEK-LLVKDONJSA-N 1 2 239.319 0.669 20 0 BCADLO COC[C@@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000660237998 411557349 /nfs/dbraw/zinc/55/73/49/411557349.db2.gz DTSFDIYLQULLEK-LLVKDONJSA-N 1 2 239.319 0.669 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043638877 170247080 /nfs/dbraw/zinc/24/70/80/170247080.db2.gz IFOPJXZZTUXVNJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043638877 170247082 /nfs/dbraw/zinc/24/70/82/170247082.db2.gz IFOPJXZZTUXVNJ-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111687288 170247646 /nfs/dbraw/zinc/24/76/46/170247646.db2.gz VMYKVJIEHXDCGR-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000111687288 170247647 /nfs/dbraw/zinc/24/76/47/170247647.db2.gz VMYKVJIEHXDCGR-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)OC ZINC000336745613 170248132 /nfs/dbraw/zinc/24/81/32/170248132.db2.gz APYAVDKOELSRFQ-JGVFFNPUSA-N 1 2 217.265 0.337 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]C/C=C\CO)n1 ZINC000657593661 411559460 /nfs/dbraw/zinc/55/94/60/411559460.db2.gz JNEAFRZFVUNDIK-PLNGDYQASA-N 1 2 225.296 0.066 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000330438021 170261750 /nfs/dbraw/zinc/26/17/50/170261750.db2.gz NLRLZPJSIWLSBE-SKDRFNHKSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000330438021 170261751 /nfs/dbraw/zinc/26/17/51/170261751.db2.gz NLRLZPJSIWLSBE-SKDRFNHKSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@H](C)N(C)CCn1cc[nH+]c1 ZINC000346276627 170265821 /nfs/dbraw/zinc/26/58/21/170265821.db2.gz LPOGDUWCFKCILG-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)C2CC2)[nH]1 ZINC000657607156 411561275 /nfs/dbraw/zinc/56/12/75/411561275.db2.gz DISLGTXFACLQSD-SSDOTTSWSA-N 1 2 210.281 0.839 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666197 170271428 /nfs/dbraw/zinc/27/14/28/170271428.db2.gz GYRYPOZLOHDEBB-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666197 170271429 /nfs/dbraw/zinc/27/14/29/170271429.db2.gz GYRYPOZLOHDEBB-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)O)C1CCOCC1 ZINC000337208345 170277199 /nfs/dbraw/zinc/27/71/99/170277199.db2.gz QJMODPUEVBQUKZ-GXSJLCMTSA-N 1 2 245.319 0.315 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]Cc2nc(COC)n[nH]2)CO1 ZINC000657608951 411562781 /nfs/dbraw/zinc/56/27/81/411562781.db2.gz GLDVWVDBFCASRQ-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+]Cc2nnc(COC)[nH]2)CO1 ZINC000657608951 411562782 /nfs/dbraw/zinc/56/27/82/411562782.db2.gz GLDVWVDBFCASRQ-BDAKNGLRSA-N 1 2 240.307 0.608 20 0 BCADLO CCOC(=O)[C@H]1CCCN1Cc1c[nH+]cn1C ZINC000090233459 170281182 /nfs/dbraw/zinc/28/11/82/170281182.db2.gz NSCZMPAEPCSDHO-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)C2CC(O)C2)[nH]1 ZINC000660278072 411565028 /nfs/dbraw/zinc/56/50/28/411565028.db2.gz KIOVAKIIKWNDND-UEJVZZJDSA-N 1 2 224.308 0.883 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)C2CC(O)C2)[nH]1 ZINC000660278072 411565030 /nfs/dbraw/zinc/56/50/30/411565030.db2.gz KIOVAKIIKWNDND-UEJVZZJDSA-N 1 2 224.308 0.883 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)co1 ZINC000660396124 411572639 /nfs/dbraw/zinc/57/26/39/411572639.db2.gz NNPGXLROWCITEX-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)co1 ZINC000660396124 411572640 /nfs/dbraw/zinc/57/26/40/411572640.db2.gz NNPGXLROWCITEX-MWLCHTKSSA-N 1 2 226.276 0.158 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660370651 411572893 /nfs/dbraw/zinc/57/28/93/411572893.db2.gz CFPJEVAJEWSZMP-SNVBAGLBSA-N 1 2 224.308 0.440 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660370651 411572894 /nfs/dbraw/zinc/57/28/94/411572894.db2.gz CFPJEVAJEWSZMP-SNVBAGLBSA-N 1 2 224.308 0.440 20 0 BCADLO CCOCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371041213 170341313 /nfs/dbraw/zinc/34/13/13/170341313.db2.gz DOIFQATWIOZPAH-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO CCOCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000298321783 170345906 /nfs/dbraw/zinc/34/59/06/170345906.db2.gz WHPCMRRQVSFJSA-UHFFFAOYSA-N 1 2 237.303 0.800 20 0 BCADLO CCOCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152638495 170346505 /nfs/dbraw/zinc/34/65/05/170346505.db2.gz DYSCJDXJFLEKCF-LLVKDONJSA-N 1 2 249.314 0.813 20 0 BCADLO CCOCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330622128 170347085 /nfs/dbraw/zinc/34/70/85/170347085.db2.gz NKEXMWIIEXIILT-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330622127 170347321 /nfs/dbraw/zinc/34/73/21/170347321.db2.gz NKEXMWIIEXIILT-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000355133453 170353336 /nfs/dbraw/zinc/35/33/36/170353336.db2.gz OVWXDLHQARONPB-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCOCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000355133453 170353337 /nfs/dbraw/zinc/35/33/37/170353337.db2.gz OVWXDLHQARONPB-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000660377966 411575691 /nfs/dbraw/zinc/57/56/91/411575691.db2.gz HJJDMZFZPYJWRR-ONGXEEELSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000660377966 411575693 /nfs/dbraw/zinc/57/56/93/411575693.db2.gz HJJDMZFZPYJWRR-ONGXEEELSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H](C)O1 ZINC000660377966 411575696 /nfs/dbraw/zinc/57/56/96/411575696.db2.gz HJJDMZFZPYJWRR-ONGXEEELSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H](C)O1 ZINC000660377966 411575697 /nfs/dbraw/zinc/57/56/97/411575697.db2.gz HJJDMZFZPYJWRR-ONGXEEELSA-N 1 2 240.307 0.083 20 0 BCADLO CCOCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000082707674 170366031 /nfs/dbraw/zinc/36/60/31/170366031.db2.gz XMQGJVPTHTYGPX-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)CCC1=O ZINC000660322985 411568739 /nfs/dbraw/zinc/56/87/39/411568739.db2.gz OVSNVVDFOKGHSR-MRVPVSSYSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCC1=O ZINC000660322985 411568741 /nfs/dbraw/zinc/56/87/41/411568741.db2.gz OVSNVVDFOKGHSR-MRVPVSSYSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)CCC1=O ZINC000660322985 411568743 /nfs/dbraw/zinc/56/87/43/411568743.db2.gz OVSNVVDFOKGHSR-MRVPVSSYSA-N 1 2 208.265 0.258 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCC1=O ZINC000660322985 411568745 /nfs/dbraw/zinc/56/87/45/411568745.db2.gz OVSNVVDFOKGHSR-MRVPVSSYSA-N 1 2 208.265 0.258 20 0 BCADLO CCOCCC[N@H+](C)Cc1nncn1C ZINC000336700499 170370262 /nfs/dbraw/zinc/37/02/62/170370262.db2.gz PKWFCUYAUCMJMU-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCCC[N@@H+](C)Cc1nncn1C ZINC000336700499 170370264 /nfs/dbraw/zinc/37/02/64/170370264.db2.gz PKWFCUYAUCMJMU-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCCC[N@H+](C)Cc1nnnn1C ZINC000336649522 170370453 /nfs/dbraw/zinc/37/04/53/170370453.db2.gz RHKFTDVQCNWCRJ-UHFFFAOYSA-N 1 2 213.285 0.069 20 0 BCADLO CCOCCC[N@@H+](C)Cc1nnnn1C ZINC000336649522 170370455 /nfs/dbraw/zinc/37/04/55/170370455.db2.gz RHKFTDVQCNWCRJ-UHFFFAOYSA-N 1 2 213.285 0.069 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000660321021 411568818 /nfs/dbraw/zinc/56/88/18/411568818.db2.gz AXLRCKMFSXCPBM-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCC(=O)[C@@H](C)C2)C1=O ZINC000660321021 411568820 /nfs/dbraw/zinc/56/88/20/411568820.db2.gz AXLRCKMFSXCPBM-UWVGGRQHSA-N 1 2 224.304 0.518 20 0 BCADLO CCOCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000367262097 170378632 /nfs/dbraw/zinc/37/86/32/170378632.db2.gz IYJXYMUXCOPFAC-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000367262097 170378634 /nfs/dbraw/zinc/37/86/34/170378634.db2.gz IYJXYMUXCOPFAC-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO OCC[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660330893 411570033 /nfs/dbraw/zinc/57/00/33/411570033.db2.gz NZPNYZZEONXVRJ-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO OCC[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000660330893 411570034 /nfs/dbraw/zinc/57/00/34/411570034.db2.gz NZPNYZZEONXVRJ-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO CC1(C)C[N@H+](CCc2cnn[nH]2)[C@@H]2COC[C@@H]21 ZINC000660764041 411623053 /nfs/dbraw/zinc/62/30/53/411623053.db2.gz ZXCRMOMPIMWNHG-WDEREUQCSA-N 1 2 236.319 0.704 20 0 BCADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)[C@@H]2COC[C@@H]21 ZINC000660764041 411623056 /nfs/dbraw/zinc/62/30/56/411623056.db2.gz ZXCRMOMPIMWNHG-WDEREUQCSA-N 1 2 236.319 0.704 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)NC2(CCC2)C1=O ZINC000663328414 411626978 /nfs/dbraw/zinc/62/69/78/411626978.db2.gz QVYTXEMZTCRXKD-MRVPVSSYSA-N 1 2 248.286 0.956 20 0 BCADLO Cc1cc(NCCCc2ncn(C)n2)nc[nH+]1 ZINC000645324305 411646913 /nfs/dbraw/zinc/64/69/13/411646913.db2.gz MXXDPHDBFPCWBR-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO CC[N@@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000660789498 411632179 /nfs/dbraw/zinc/63/21/79/411632179.db2.gz ZEXWMFRICKTFTG-VIFPVBQESA-N 1 2 239.323 0.426 20 0 BCADLO CC[N@H+]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000660789498 411632182 /nfs/dbraw/zinc/63/21/82/411632182.db2.gz ZEXWMFRICKTFTG-VIFPVBQESA-N 1 2 239.323 0.426 20 0 BCADLO Cc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)no1 ZINC000660800723 411637088 /nfs/dbraw/zinc/63/70/88/411637088.db2.gz LVRWQCKSKREQCN-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000660813597 411643721 /nfs/dbraw/zinc/64/37/21/411643721.db2.gz WZELHIFRNXLCRD-PSASIEDQSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000660813597 411643723 /nfs/dbraw/zinc/64/37/23/411643723.db2.gz WZELHIFRNXLCRD-PSASIEDQSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](CO)O1 ZINC000660387284 411577528 /nfs/dbraw/zinc/57/75/28/411577528.db2.gz ALSBZHJJELFHAF-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(C)o1 ZINC000660395352 411578966 /nfs/dbraw/zinc/57/89/66/411578966.db2.gz JFDGNERONOELSH-JQWIXIFHSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(C)o1 ZINC000660395352 411578967 /nfs/dbraw/zinc/57/89/67/411578967.db2.gz JFDGNERONOELSH-JQWIXIFHSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(C)o1 ZINC000660395354 411579351 /nfs/dbraw/zinc/57/93/51/411579351.db2.gz JFDGNERONOELSH-PWSUYJOCSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(C)o1 ZINC000660395354 411579353 /nfs/dbraw/zinc/57/93/53/411579353.db2.gz JFDGNERONOELSH-PWSUYJOCSA-N 1 2 240.303 0.467 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC12CCOCC2 ZINC000660418484 411582361 /nfs/dbraw/zinc/58/23/61/411582361.db2.gz AXPLBTLNBKABAQ-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC12CCOCC2 ZINC000660418484 411582362 /nfs/dbraw/zinc/58/23/62/411582362.db2.gz AXPLBTLNBKABAQ-UHFFFAOYSA-N 1 2 222.292 0.602 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N(CC3CC3)C2)c1 ZINC000660441555 411585208 /nfs/dbraw/zinc/58/52/08/411585208.db2.gz WILIVFLKYQCCCH-UHFFFAOYSA-N 1 2 234.303 0.432 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660449790 411586691 /nfs/dbraw/zinc/58/66/91/411586691.db2.gz ZVRXFBSLJWIGSG-OCAPTIKFSA-N 1 2 244.316 0.910 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660449790 411586693 /nfs/dbraw/zinc/58/66/93/411586693.db2.gz ZVRXFBSLJWIGSG-OCAPTIKFSA-N 1 2 244.316 0.910 20 0 BCADLO Cn1[nH]c([C@H]2CCC[N@@H+]2Cc2cn[nH]c2)nc1=N ZINC000660470958 411590292 /nfs/dbraw/zinc/59/02/92/411590292.db2.gz PSALFMNNPKYSJQ-SECBINFHSA-N 1 2 247.306 0.288 20 0 BCADLO Cn1[nH]c([C@H]2CCC[N@H+]2Cc2cn[nH]c2)nc1=N ZINC000660470958 411590295 /nfs/dbraw/zinc/59/02/95/411590295.db2.gz PSALFMNNPKYSJQ-SECBINFHSA-N 1 2 247.306 0.288 20 0 BCADLO CC[N@H+](Cc1cc(C)nc(C)n1)[C@H]1CCNC1=O ZINC000660477122 411591125 /nfs/dbraw/zinc/59/11/25/411591125.db2.gz LQYZOLLVAIIUHL-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO CC[N@@H+](Cc1cc(C)nc(C)n1)[C@H]1CCNC1=O ZINC000660477122 411591126 /nfs/dbraw/zinc/59/11/26/411591126.db2.gz LQYZOLLVAIIUHL-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)co1 ZINC000660480095 411591323 /nfs/dbraw/zinc/59/13/23/411591323.db2.gz SUUBRWZLDGGECE-GMSGAONNSA-N 1 2 223.276 0.597 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCOCCO)[nH]1 ZINC000660488013 411593150 /nfs/dbraw/zinc/59/31/50/411593150.db2.gz YBLAZCZYSFRVEP-SECBINFHSA-N 1 2 242.323 0.369 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCOCCO)[nH]1 ZINC000660488013 411593151 /nfs/dbraw/zinc/59/31/51/411593151.db2.gz YBLAZCZYSFRVEP-SECBINFHSA-N 1 2 242.323 0.369 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660490003 411593699 /nfs/dbraw/zinc/59/36/99/411593699.db2.gz UNHWVGLRBLMULO-RKDXNWHRSA-N 1 2 239.237 0.817 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660490003 411593701 /nfs/dbraw/zinc/59/37/01/411593701.db2.gz UNHWVGLRBLMULO-RKDXNWHRSA-N 1 2 239.237 0.817 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@@](F)(CO)C2)c1 ZINC000660491927 411593955 /nfs/dbraw/zinc/59/39/55/411593955.db2.gz LTQKPJQWKYFIBF-JTQLQIEISA-N 1 2 213.256 0.326 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@H](C)O)c(C)o1 ZINC000660564893 411600696 /nfs/dbraw/zinc/60/06/96/411600696.db2.gz ZAWNFMUFVZOBJD-QMMMGPOBSA-N 1 2 228.292 0.467 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@H](C)O)c(C)o1 ZINC000660564893 411600698 /nfs/dbraw/zinc/60/06/98/411600698.db2.gz ZAWNFMUFVZOBJD-QMMMGPOBSA-N 1 2 228.292 0.467 20 0 BCADLO CCCNC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000660580732 411603046 /nfs/dbraw/zinc/60/30/46/411603046.db2.gz SUNZPUNAQLAFGQ-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1ncnc1CN1CCn2c[nH+]cc2C1 ZINC000660582417 411603062 /nfs/dbraw/zinc/60/30/62/411603062.db2.gz UBXJUJDMZQYSMD-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO Cc1cc(CN2CCn3c[nH+]cc3C2)nn1C ZINC000660581068 411603211 /nfs/dbraw/zinc/60/32/11/411603211.db2.gz SGXHHLKCAORSMJ-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H](C)[C@@H]1C ZINC000660639729 411611397 /nfs/dbraw/zinc/61/13/97/411611397.db2.gz JZEGTFFAJNPUFH-AATLWQCWSA-N 1 2 233.333 0.139 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H](C)[C@@H]1C ZINC000660639729 411611399 /nfs/dbraw/zinc/61/13/99/411611399.db2.gz JZEGTFFAJNPUFH-AATLWQCWSA-N 1 2 233.333 0.139 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000660658901 411614903 /nfs/dbraw/zinc/61/49/03/411614903.db2.gz WCNXFOPSJQQGRR-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000660658901 411614905 /nfs/dbraw/zinc/61/49/05/411614905.db2.gz WCNXFOPSJQQGRR-AVGNSLFASA-N 1 2 242.363 0.816 20 0 BCADLO Cc1nc(C[N@@H+]2CCOC[C@H](O)C2)c(C)o1 ZINC000660669700 411616599 /nfs/dbraw/zinc/61/65/99/411616599.db2.gz QBLBRLHSXCSCIC-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO Cc1nc(C[N@H+]2CCOC[C@H](O)C2)c(C)o1 ZINC000660669700 411616600 /nfs/dbraw/zinc/61/66/00/411616600.db2.gz QBLBRLHSXCSCIC-SNVBAGLBSA-N 1 2 226.276 0.485 20 0 BCADLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCc1cnn[nH]1 ZINC000660673123 411616719 /nfs/dbraw/zinc/61/67/19/411616719.db2.gz ZZXKIOAJBYYDPK-MWLCHTKSSA-N 1 2 224.308 0.440 20 0 BCADLO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCc1cnn[nH]1 ZINC000660673123 411616720 /nfs/dbraw/zinc/61/67/20/411616720.db2.gz ZZXKIOAJBYYDPK-MWLCHTKSSA-N 1 2 224.308 0.440 20 0 BCADLO O=c1[nH]nc(C[NH2+]C2(CCO)CCCC2)[nH]1 ZINC000660682748 411617067 /nfs/dbraw/zinc/61/70/67/411617067.db2.gz SOKJSDREFRCEBX-UHFFFAOYSA-N 1 2 226.280 0.295 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2c[nH+]cn2C)C1 ZINC000660730631 411619432 /nfs/dbraw/zinc/61/94/32/411619432.db2.gz RNYRFZZJTDWGSQ-UHFFFAOYSA-N 1 2 243.332 0.039 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H](O)C(C)C)C1 ZINC000660730790 411619685 /nfs/dbraw/zinc/61/96/85/411619685.db2.gz SUUDBXLQVSLJHJ-JTQLQIEISA-N 1 2 235.349 0.122 20 0 BCADLO CC1(C)C[C@@H](O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660738487 411620266 /nfs/dbraw/zinc/62/02/66/411620266.db2.gz QWHQAIFNRJWBDP-NSHDSACASA-N 1 2 238.335 0.830 20 0 BCADLO CC1(C)C[C@@H](O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660738487 411620267 /nfs/dbraw/zinc/62/02/67/411620267.db2.gz QWHQAIFNRJWBDP-NSHDSACASA-N 1 2 238.335 0.830 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)OC ZINC000336778578 170481883 /nfs/dbraw/zinc/48/18/83/170481883.db2.gz LSQFNYQIADJCTF-IVZWLZJFSA-N 1 2 231.292 0.332 20 0 BCADLO c1nc2c(c(NCC3CC3)[nH+]1)OCCN2 ZINC000647853272 411704630 /nfs/dbraw/zinc/70/46/30/411704630.db2.gz NGFUFODRCHVENC-UHFFFAOYSA-N 1 2 206.249 1.103 20 0 BCADLO c1nc(NCC2CC2)c2c([nH+]1)NCCO2 ZINC000647853272 411704633 /nfs/dbraw/zinc/70/46/33/411704633.db2.gz NGFUFODRCHVENC-UHFFFAOYSA-N 1 2 206.249 1.103 20 0 BCADLO c1cnnc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000561341876 411706203 /nfs/dbraw/zinc/70/62/03/411706203.db2.gz UGBJMZODISQKKI-UHFFFAOYSA-N 1 2 234.303 0.753 20 0 BCADLO c1coc(CNc2nc[nH+]c3c2OCCN3)c1 ZINC000647843781 411706697 /nfs/dbraw/zinc/70/66/97/411706697.db2.gz FQMPLUNKOBHOLO-UHFFFAOYSA-N 1 2 232.243 1.486 20 0 BCADLO c1coc(CNc2[nH+]cnc3c2OCCN3)c1 ZINC000647843781 411706704 /nfs/dbraw/zinc/70/67/04/411706704.db2.gz FQMPLUNKOBHOLO-UHFFFAOYSA-N 1 2 232.243 1.486 20 0 BCADLO Cc1ccc2[nH+]cc(CNc3ncn(C)n3)n2c1 ZINC000431017667 411707953 /nfs/dbraw/zinc/70/79/53/411707953.db2.gz BNOKBQAIWXQMAA-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BCADLO CCOC[C@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000355719173 411712322 /nfs/dbraw/zinc/71/23/22/411712322.db2.gz JFQYUNSPHXLBPE-SNVBAGLBSA-N 1 2 239.319 1.409 20 0 BCADLO Cc1cc(NCCn2ccccc2=O)nc[nH+]1 ZINC000354085036 411649635 /nfs/dbraw/zinc/64/96/35/411649635.db2.gz GMDJNWZXDXVMMM-UHFFFAOYSA-N 1 2 230.271 1.059 20 0 BCADLO Cc1cc(NC[C@@H](C)c2nncn2C)nc[nH+]1 ZINC000354473437 411650520 /nfs/dbraw/zinc/65/05/20/411650520.db2.gz WNUSCPOIYBWJSW-MRVPVSSYSA-N 1 2 232.291 1.129 20 0 BCADLO Cc1cc(NCc2nn[nH]n2)nc(C2CC2)[nH+]1 ZINC000604756447 411651948 /nfs/dbraw/zinc/65/19/48/411651948.db2.gz HEABZFJMGCKNME-UHFFFAOYSA-N 1 2 231.263 0.788 20 0 BCADLO Cc1cc(NCc2ccc(C)n(C)c2=O)nc[nH+]1 ZINC000362661706 411653788 /nfs/dbraw/zinc/65/37/88/411653788.db2.gz GPHOLWDAXGREGJ-UHFFFAOYSA-N 1 2 244.298 1.404 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000331989097 170511556 /nfs/dbraw/zinc/51/15/56/170511556.db2.gz YPASLFGDRXATQQ-SFYZADRCSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1cc(NCc2nnn(C)n2)nc(C2CC2)[nH+]1 ZINC000570379774 411654915 /nfs/dbraw/zinc/65/49/15/411654915.db2.gz CLXSCQXAOGCIPK-UHFFFAOYSA-N 1 2 245.290 0.798 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1(O)CCCC1 ZINC000660848622 411656027 /nfs/dbraw/zinc/65/60/27/411656027.db2.gz JIYLYPSWHKVXRR-UHFFFAOYSA-N 1 2 227.264 0.512 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1(O)CCCC1 ZINC000660848622 411656031 /nfs/dbraw/zinc/65/60/31/411656031.db2.gz JIYLYPSWHKVXRR-UHFFFAOYSA-N 1 2 227.264 0.512 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846310 411656426 /nfs/dbraw/zinc/65/64/26/411656426.db2.gz YOFPWRITAGHRDR-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)O1 ZINC000660846310 411656430 /nfs/dbraw/zinc/65/64/30/411656430.db2.gz YOFPWRITAGHRDR-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO C[N@H+](CCOCC(F)F)Cc1n[nH]c(=O)o1 ZINC000660845140 411656518 /nfs/dbraw/zinc/65/65/18/411656518.db2.gz KKMJOVDKGGCHSV-UHFFFAOYSA-N 1 2 237.206 0.489 20 0 BCADLO C[N@@H+](CCOCC(F)F)Cc1n[nH]c(=O)o1 ZINC000660845140 411656522 /nfs/dbraw/zinc/65/65/22/411656522.db2.gz KKMJOVDKGGCHSV-UHFFFAOYSA-N 1 2 237.206 0.489 20 0 BCADLO Cc1cc(N[C@@H](C)CC(N)=O)nc(C2CC2)[nH+]1 ZINC000361042716 411658573 /nfs/dbraw/zinc/65/85/73/411658573.db2.gz CEUZUPOSFORSOY-ZETCQYMHSA-N 1 2 234.303 1.338 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nc(C)oc1C ZINC000660904138 411666678 /nfs/dbraw/zinc/66/66/78/411666678.db2.gz QQKRKEKSOTUDNJ-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nc(C)oc1C ZINC000660904138 411666686 /nfs/dbraw/zinc/66/66/86/411666686.db2.gz QQKRKEKSOTUDNJ-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCNC(C)=O)[nH]1 ZINC000660904889 411667858 /nfs/dbraw/zinc/66/78/58/411667858.db2.gz UUPSXZPGUMCJHO-MRVPVSSYSA-N 1 2 239.323 0.496 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCNC(C)=O)[nH]1 ZINC000660904889 411667860 /nfs/dbraw/zinc/66/78/60/411667860.db2.gz UUPSXZPGUMCJHO-MRVPVSSYSA-N 1 2 239.323 0.496 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000624730614 411679611 /nfs/dbraw/zinc/67/96/11/411679611.db2.gz JNLCJIQYQGVWJW-DTORHVGOSA-N 1 2 237.307 0.835 20 0 BCADLO CO[C@H]1C[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000624730614 411679615 /nfs/dbraw/zinc/67/96/15/411679615.db2.gz JNLCJIQYQGVWJW-DTORHVGOSA-N 1 2 237.307 0.835 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1NCCCO ZINC000574490096 411680199 /nfs/dbraw/zinc/68/01/99/411680199.db2.gz JSXKMYLTFLFSPR-UHFFFAOYSA-N 1 2 237.303 1.465 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(C)(F)F ZINC000580660306 411680273 /nfs/dbraw/zinc/68/02/73/411680273.db2.gz ZOVUMSITLLOGSA-UHFFFAOYSA-N 1 2 218.207 1.135 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(C)(F)F ZINC000580660306 411680277 /nfs/dbraw/zinc/68/02/77/411680277.db2.gz ZOVUMSITLLOGSA-UHFFFAOYSA-N 1 2 218.207 1.135 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC(C)(C)O ZINC000390612271 411680777 /nfs/dbraw/zinc/68/07/77/411680777.db2.gz BMLYBPFIWOFVKN-UHFFFAOYSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC(C)(C)O ZINC000390612271 411680783 /nfs/dbraw/zinc/68/07/83/411680783.db2.gz BMLYBPFIWOFVKN-UHFFFAOYSA-N 1 2 226.280 0.640 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H]1C[C@@H](OC)C1 ZINC000624758168 411682056 /nfs/dbraw/zinc/68/20/56/411682056.db2.gz WDUTZBMCIMQPDJ-ZKCHVHJHSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H]1C[C@@H](OC)C1 ZINC000624758168 411682061 /nfs/dbraw/zinc/68/20/61/411682061.db2.gz WDUTZBMCIMQPDJ-ZKCHVHJHSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](C)CCO ZINC000397881584 411682271 /nfs/dbraw/zinc/68/22/71/411682271.db2.gz NXILCHNWKFOJPS-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](C)CCO ZINC000397881584 411682277 /nfs/dbraw/zinc/68/22/77/411682277.db2.gz NXILCHNWKFOJPS-QMMMGPOBSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@@H](C)O1 ZINC000397934766 411682767 /nfs/dbraw/zinc/68/27/67/411682767.db2.gz WPEZUNIKJYLDGT-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@@H](C)O1 ZINC000397934766 411682769 /nfs/dbraw/zinc/68/27/69/411682769.db2.gz WPEZUNIKJYLDGT-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CNC(=O)C1 ZINC000660955328 411687542 /nfs/dbraw/zinc/68/75/42/411687542.db2.gz OKZFEZYYOCGGDD-MRVPVSSYSA-N 1 2 244.254 0.409 20 0 BCADLO OCC1(CO)CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000624698899 411688179 /nfs/dbraw/zinc/68/81/79/411688179.db2.gz YUHIHHKCBDWOLM-UHFFFAOYSA-N 1 2 249.314 0.899 20 0 BCADLO CN(Cc1ccn(C)n1)Cc1c[nH+]c[nH]1 ZINC000661087846 411700698 /nfs/dbraw/zinc/70/06/98/411700698.db2.gz BSAVLKZMCQITNQ-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CN(Cc1ccn(C)n1)Cc1c[nH]c[nH+]1 ZINC000661087846 411700701 /nfs/dbraw/zinc/70/07/01/411700701.db2.gz BSAVLKZMCQITNQ-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO C[C@@]1(C2CC2)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000661170753 411728880 /nfs/dbraw/zinc/72/88/80/411728880.db2.gz RCPWJEDOWXMEKK-ZDUSSCGKSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000661170753 411728885 /nfs/dbraw/zinc/72/88/85/411728885.db2.gz RCPWJEDOWXMEKK-ZDUSSCGKSA-N 1 2 238.331 0.720 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661207865 411733053 /nfs/dbraw/zinc/73/30/53/411733053.db2.gz PMTNSEAEXWXCGB-RKDXNWHRSA-N 1 2 240.307 0.975 20 0 BCADLO CO[C@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661207865 411733056 /nfs/dbraw/zinc/73/30/56/411733056.db2.gz PMTNSEAEXWXCGB-RKDXNWHRSA-N 1 2 240.307 0.975 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCN1C(=O)CCC1=O ZINC000563841683 411734976 /nfs/dbraw/zinc/73/49/76/411734976.db2.gz MNQLPLOTMUQZJE-UHFFFAOYSA-N 1 2 248.286 0.654 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)N1CCCC1 ZINC000578549553 411735331 /nfs/dbraw/zinc/73/53/31/411735331.db2.gz RJMBHWATGISENG-UHFFFAOYSA-N 1 2 234.303 1.128 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC[C@@H](CO)O1 ZINC000566865355 411735363 /nfs/dbraw/zinc/73/53/63/411735363.db2.gz AGKSOVQMLFXISZ-MNOVXSKESA-N 1 2 237.303 1.045 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1ncn(C)n1 ZINC000573386684 411735598 /nfs/dbraw/zinc/73/55/98/411735598.db2.gz LASUIUUYDFLKMC-UHFFFAOYSA-N 1 2 232.291 0.877 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CC(N)=O ZINC000565222299 411737724 /nfs/dbraw/zinc/73/77/24/411737724.db2.gz QTZNUMRLHHMCBC-ZETCQYMHSA-N 1 2 208.265 0.769 20 0 BCADLO Cc1cnc(NCC[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000533884410 411737821 /nfs/dbraw/zinc/73/78/21/411737821.db2.gz FIOVZVSQPAGXDC-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnc(NCC[N@H+]2CCO[C@H](C)C2)nc1 ZINC000533884410 411737825 /nfs/dbraw/zinc/73/78/25/411737825.db2.gz FIOVZVSQPAGXDC-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@H](C)Cn1cncn1 ZINC000562126859 411737958 /nfs/dbraw/zinc/73/79/58/411737958.db2.gz UYXKUQSVAUPZNL-SECBINFHSA-N 1 2 232.291 1.186 20 0 BCADLO Cc1cnc(CNc2cc(C)[nH+]cn2)nc1 ZINC000565904664 411738836 /nfs/dbraw/zinc/73/88/36/411738836.db2.gz RKMHOQWVBHTGNP-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BCADLO Cc1cnc(CCNc2cc(C)[nH+]cn2)nc1 ZINC000340078294 411738905 /nfs/dbraw/zinc/73/89/05/411738905.db2.gz PLOKYOHUZUIFLQ-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO CC[C@@H]1C[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000387831216 411739953 /nfs/dbraw/zinc/73/99/53/411739953.db2.gz OINSAVCAIQVRDT-SFYZADRCSA-N 1 2 222.292 1.525 20 0 BCADLO CC[C@@H]1C[C@H]1CNc1[nH+]cnc(N)c1OC ZINC000387831216 411739955 /nfs/dbraw/zinc/73/99/55/411739955.db2.gz OINSAVCAIQVRDT-SFYZADRCSA-N 1 2 222.292 1.525 20 0 BCADLO Cc1cncnc1NCc1[nH+]ccn1C ZINC000641345561 411742395 /nfs/dbraw/zinc/74/23/95/411742395.db2.gz ZLOXVDPDGXGELI-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BCADLO Cc1cncnc1NCC[N@H+]1CCOC[C@@H]1C ZINC000641344464 411743123 /nfs/dbraw/zinc/74/31/23/411743123.db2.gz MAUKKDRZEFFSQU-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncnc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000641344464 411743127 /nfs/dbraw/zinc/74/31/27/411743127.db2.gz MAUKKDRZEFFSQU-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CC[C@H](Nc1nccn2nnnc12)c1[nH]cc[nH+]1 ZINC000580610520 411753554 /nfs/dbraw/zinc/75/35/54/411753554.db2.gz UKJZZRTYOHXURO-ZETCQYMHSA-N 1 2 244.262 0.806 20 0 BCADLO CCS(=O)(=O)CCNc1cc(C)[nH+]cn1 ZINC000226388757 170609985 /nfs/dbraw/zinc/60/99/85/170609985.db2.gz QDXDYHYQUPHYQQ-UHFFFAOYSA-N 1 2 229.305 0.632 20 0 BCADLO Cc1[nH]c(CNc2ccn(C)n2)[nH+]c1C ZINC000583333507 411764877 /nfs/dbraw/zinc/76/48/77/411764877.db2.gz SADVNNWASMRJPP-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BCADLO Cc1nc(N(C)C)nc(NCCc2ccco2)[nH+]1 ZINC000359252304 411766776 /nfs/dbraw/zinc/76/67/76/411766776.db2.gz KWYBCGPDABOMBH-UHFFFAOYSA-N 1 2 247.302 1.494 20 0 BCADLO Cc1nc(NCCc2ccco2)nc(N(C)C)[nH+]1 ZINC000359252304 411766779 /nfs/dbraw/zinc/76/67/79/411766779.db2.gz KWYBCGPDABOMBH-UHFFFAOYSA-N 1 2 247.302 1.494 20 0 BCADLO Cc1nc(N(C)C)nc(NCC23CC(C2)CO3)[nH+]1 ZINC000528184826 411767026 /nfs/dbraw/zinc/76/70/26/411767026.db2.gz SEMMAOBEGFSFHD-UHFFFAOYSA-N 1 2 249.318 0.837 20 0 BCADLO Cc1nc(NCC23CC(C2)CO3)nc(N(C)C)[nH+]1 ZINC000528184826 411767029 /nfs/dbraw/zinc/76/70/29/411767029.db2.gz SEMMAOBEGFSFHD-UHFFFAOYSA-N 1 2 249.318 0.837 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000336753796 411767148 /nfs/dbraw/zinc/76/71/48/411767148.db2.gz WRWDOJJHTRJYAL-CBAPKCEASA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000336753796 411767152 /nfs/dbraw/zinc/76/71/52/411767152.db2.gz WRWDOJJHTRJYAL-CBAPKCEASA-N 1 2 221.308 1.314 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000570341026 411768650 /nfs/dbraw/zinc/76/86/50/411768650.db2.gz QVMKBVIVTBQEBQ-MYJAWHEDSA-N 1 2 233.319 1.456 20 0 BCADLO Cc1nc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000570341026 411768655 /nfs/dbraw/zinc/76/86/55/411768655.db2.gz QVMKBVIVTBQEBQ-MYJAWHEDSA-N 1 2 233.319 1.456 20 0 BCADLO C[C@H](CO)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401993 411769135 /nfs/dbraw/zinc/76/91/35/411769135.db2.gz AUHIFYIGUAASPD-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@H](CO)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401993 411769140 /nfs/dbraw/zinc/76/91/40/411769140.db2.gz AUHIFYIGUAASPD-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO O[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(F)F ZINC000661401339 411769301 /nfs/dbraw/zinc/76/93/01/411769301.db2.gz XMPRRXBSDZHRSO-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(F)F ZINC000661401339 411769305 /nfs/dbraw/zinc/76/93/05/411769305.db2.gz XMPRRXBSDZHRSO-DTWKUNHWSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1nc(N(C)C)nc(NC[C@H](O)C(F)F)[nH+]1 ZINC000490082502 411769561 /nfs/dbraw/zinc/76/95/61/411769561.db2.gz VNWJSWRPSJIZSD-LURJTMIESA-N 1 2 247.249 0.284 20 0 BCADLO Cc1nc(NC[C@H](O)C(F)F)nc(N(C)C)[nH+]1 ZINC000490082502 411769563 /nfs/dbraw/zinc/76/95/63/411769563.db2.gz VNWJSWRPSJIZSD-LURJTMIESA-N 1 2 247.249 0.284 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401994 411769721 /nfs/dbraw/zinc/76/97/21/411769721.db2.gz AUHIFYIGUAASPD-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CCO[C@H]2C)[nH+]1 ZINC000408028411 411769748 /nfs/dbraw/zinc/76/97/48/411769748.db2.gz DGDPTJSBNYOVSE-CBAPKCEASA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@H]2CCO[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408028411 411769751 /nfs/dbraw/zinc/76/97/51/411769751.db2.gz DGDPTJSBNYOVSE-CBAPKCEASA-N 1 2 237.307 0.835 20 0 BCADLO C[C@@H](CO)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401994 411769725 /nfs/dbraw/zinc/76/97/25/411769725.db2.gz AUHIFYIGUAASPD-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO Cc1cc(NCc2nnc(N)o2)nc[nH+]1 ZINC000663899886 411769899 /nfs/dbraw/zinc/76/98/99/411769899.db2.gz MDMVWLDMHSIKEW-UHFFFAOYSA-N 1 2 206.209 0.362 20 0 BCADLO COc1nc(C)cc(NCCn2cc[nH+]c2)n1 ZINC000354500441 411773406 /nfs/dbraw/zinc/77/34/06/411773406.db2.gz CBIHDFZIGJDQSJ-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C(C)C)n[nH]1 ZINC000562993035 411775454 /nfs/dbraw/zinc/77/54/54/411775454.db2.gz AAMVHGVGGBWYAL-UHFFFAOYSA-N 1 2 220.280 1.503 20 0 BCADLO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000590749877 411793747 /nfs/dbraw/zinc/79/37/47/411793747.db2.gz DATIYIJFBDHTAD-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BCADLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000590749877 411793751 /nfs/dbraw/zinc/79/37/51/411793751.db2.gz DATIYIJFBDHTAD-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCc2nnc[nH]2)[nH+]1 ZINC000357138843 411778028 /nfs/dbraw/zinc/77/80/28/411778028.db2.gz CXTCNZMPGJLWRV-UHFFFAOYSA-N 1 2 243.274 1.039 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccn(C)n1 ZINC000345626576 411782637 /nfs/dbraw/zinc/78/26/37/411782637.db2.gz HDZXWMVHYUHMPA-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1cc(C(N)=O)no1 ZINC000521646153 411783431 /nfs/dbraw/zinc/78/34/31/411783431.db2.gz PRYIKLSSGJJSDO-UHFFFAOYSA-N 1 2 247.258 0.792 20 0 BCADLO Cc1nc(NCc2cc[nH]c(=O)c2)cc[nH+]1 ZINC000336734649 411786514 /nfs/dbraw/zinc/78/65/14/411786514.db2.gz KYJBVGHUXFHCIC-UHFFFAOYSA-N 1 2 216.244 1.498 20 0 BCADLO CCc1ncc(CNc2nc[nH+]c(N)c2OC)o1 ZINC000580329456 411788132 /nfs/dbraw/zinc/78/81/32/411788132.db2.gz ZBSRFXBOITXFPY-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BCADLO CCc1ncc(CNc2[nH+]cnc(N)c2OC)o1 ZINC000580329456 411788135 /nfs/dbraw/zinc/78/81/35/411788135.db2.gz ZBSRFXBOITXFPY-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BCADLO Cc1nccnc1NCC[N@H+]1CCOC[C@H]1C ZINC000357263184 411788876 /nfs/dbraw/zinc/78/88/76/411788876.db2.gz OBCCPLKGCGNQPS-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccnc1NCC[N@@H+]1CCOC[C@H]1C ZINC000357263184 411788882 /nfs/dbraw/zinc/78/88/82/411788882.db2.gz OBCCPLKGCGNQPS-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO C[C@@H]1CCC[N@H+](CCc2cnn[nH]2)[C@@H]1CCO ZINC000661497766 411789069 /nfs/dbraw/zinc/78/90/69/411789069.db2.gz KEHOIEKGFPMSII-ZYHUDNBSSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)[C@@H]1CCO ZINC000661497766 411789077 /nfs/dbraw/zinc/78/90/77/411789077.db2.gz KEHOIEKGFPMSII-ZYHUDNBSSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H]1CCC[N@H+](CCc2cnn[nH]2)[C@@H]1CCO ZINC000661497762 411790361 /nfs/dbraw/zinc/79/03/61/411790361.db2.gz KEHOIEKGFPMSII-CMPLNLGQSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H]1CCC[N@@H+](CCc2cnn[nH]2)[C@@H]1CCO ZINC000661497762 411790365 /nfs/dbraw/zinc/79/03/65/411790365.db2.gz KEHOIEKGFPMSII-CMPLNLGQSA-N 1 2 238.335 0.830 20 0 BCADLO CC[C@@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000420651279 411722341 /nfs/dbraw/zinc/72/23/41/411722341.db2.gz JIAGRMNSNPIJAL-SSDOTTSWSA-N 1 2 234.307 1.404 20 0 BCADLO COC[C@H]([NH2+]Cc1c[nH]nn1)C1CCOCC1 ZINC000661160269 411724575 /nfs/dbraw/zinc/72/45/75/411724575.db2.gz WQMZFYRHRKOWLC-NSHDSACASA-N 1 2 240.307 0.336 20 0 BCADLO COC[C@H]([NH2+]Cc1cn[nH]n1)C1CCOCC1 ZINC000661160269 411724576 /nfs/dbraw/zinc/72/45/76/411724576.db2.gz WQMZFYRHRKOWLC-NSHDSACASA-N 1 2 240.307 0.336 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165889 411726477 /nfs/dbraw/zinc/72/64/77/411726477.db2.gz DSQUUXGRUCGGBY-KWQFWETISA-N 1 2 212.293 0.361 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165889 411726478 /nfs/dbraw/zinc/72/64/78/411726478.db2.gz DSQUUXGRUCGGBY-KWQFWETISA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363829836 411728314 /nfs/dbraw/zinc/72/83/14/411728314.db2.gz OOLBTLTWEZMRRH-JTQLQIEISA-N 1 2 232.287 1.450 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)c1ncnc2c1nnn2C ZINC000664128569 411864567 /nfs/dbraw/zinc/86/45/67/411864567.db2.gz ZCSRFOBOPZSKEL-UHFFFAOYSA-N 1 2 244.262 0.118 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)c1ncnc2c1nnn2C ZINC000664128569 411864571 /nfs/dbraw/zinc/86/45/71/411864571.db2.gz ZCSRFOBOPZSKEL-UHFFFAOYSA-N 1 2 244.262 0.118 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCNC1=O ZINC000664133259 411864825 /nfs/dbraw/zinc/86/48/25/411864825.db2.gz GKVRZBKARQVGKW-VIFPVBQESA-N 1 2 230.271 0.874 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853577 170675339 /nfs/dbraw/zinc/67/53/39/170675339.db2.gz CRWJZRPGGNDENU-VIFPVBQESA-N 1 2 208.265 0.032 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2n[nH]cc2C1 ZINC000118853577 170675340 /nfs/dbraw/zinc/67/53/40/170675340.db2.gz CRWJZRPGGNDENU-VIFPVBQESA-N 1 2 208.265 0.032 20 0 BCADLO O=C1NCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000664132175 411864917 /nfs/dbraw/zinc/86/49/17/411864917.db2.gz ANRPIZFSTNMNMX-QMMMGPOBSA-N 1 2 218.260 0.654 20 0 BCADLO Cc1cc(N2CC(=O)N[C@H](C)C2)nc[nH+]1 ZINC000663975402 411797866 /nfs/dbraw/zinc/79/78/66/411797866.db2.gz WLUWVUNDXFOMMQ-MRVPVSSYSA-N 1 2 206.249 0.110 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@H+]2C)nc1C ZINC000624621317 411801373 /nfs/dbraw/zinc/80/13/73/411801373.db2.gz YLTZHCMMGLOCSD-JTQLQIEISA-N 1 2 237.307 0.231 20 0 BCADLO Cc1nnc(NC[C@H]2COCC[N@@H+]2C)nc1C ZINC000624621317 411801377 /nfs/dbraw/zinc/80/13/77/411801377.db2.gz YLTZHCMMGLOCSD-JTQLQIEISA-N 1 2 237.307 0.231 20 0 BCADLO CCNC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661552732 411801529 /nfs/dbraw/zinc/80/15/29/411801529.db2.gz ANCDORNOJAUYOG-RKDXNWHRSA-N 1 2 212.293 0.279 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000663986117 411802019 /nfs/dbraw/zinc/80/20/19/411802019.db2.gz SFBLGCVLAZXTNU-QMMMGPOBSA-N 1 2 234.259 0.494 20 0 BCADLO COc1cc[nH+]c(CN2CCOC[C@H]2CO)c1 ZINC000661563082 411802451 /nfs/dbraw/zinc/80/24/51/411802451.db2.gz HFHJMBQPGOOAQP-LLVKDONJSA-N 1 2 238.287 0.283 20 0 BCADLO CCC[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661577764 411806854 /nfs/dbraw/zinc/80/68/54/411806854.db2.gz FLADTSRQPIRFJC-QWHCGFSZSA-N 1 2 242.363 0.554 20 0 BCADLO Cc1nnc2ccc(NCc3[nH+]ccn3C)nn12 ZINC000356772146 411809607 /nfs/dbraw/zinc/80/96/07/411809607.db2.gz ZIOXFKNECWLXOO-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661747657 411865286 /nfs/dbraw/zinc/86/52/86/411865286.db2.gz SWEJXHWFKMGDDY-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661747657 411865292 /nfs/dbraw/zinc/86/52/92/411865292.db2.gz SWEJXHWFKMGDDY-NSHDSACASA-N 1 2 242.323 0.033 20 0 BCADLO CCn1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000618041211 411809828 /nfs/dbraw/zinc/80/98/28/411809828.db2.gz HKEPRQNJBYSGIO-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000618041211 411809830 /nfs/dbraw/zinc/80/98/30/411809830.db2.gz HKEPRQNJBYSGIO-SECBINFHSA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccnc1CNc1nc[nH+]c(N)c1OC ZINC000385230678 411811918 /nfs/dbraw/zinc/81/19/18/411811918.db2.gz SNIUGRGFHYXYFA-UHFFFAOYSA-N 1 2 248.290 0.896 20 0 BCADLO CCn1cc[nH+]c1CNc1nccn(CC)c1=O ZINC000385142481 411813589 /nfs/dbraw/zinc/81/35/89/411813589.db2.gz BTAXALLAPPFBOS-UHFFFAOYSA-N 1 2 247.302 1.092 20 0 BCADLO CCOC[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631147082 411868348 /nfs/dbraw/zinc/86/83/48/411868348.db2.gz YZORMRURTYLUPB-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO CCn1c[nH+]cc1CNc1nc(N(C)C)n[nH]1 ZINC000578978757 411815567 /nfs/dbraw/zinc/81/55/67/411815567.db2.gz MCWYWKMKALHUAB-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO CCn1c[nH+]cc1CNc1n[nH]c(N(C)C)n1 ZINC000578978757 411815570 /nfs/dbraw/zinc/81/55/70/411815570.db2.gz MCWYWKMKALHUAB-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO CCOC[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631147082 411868352 /nfs/dbraw/zinc/86/83/52/411868352.db2.gz YZORMRURTYLUPB-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO CCn1c[nH+]cc1CNc1nnc2ccccn21 ZINC000416424059 411816255 /nfs/dbraw/zinc/81/62/55/411816255.db2.gz ACTDCXDTYFZBTL-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BCADLO CCn1nncc1C[N@H+](C)C[C@H]1COCCO1 ZINC000661614402 411818628 /nfs/dbraw/zinc/81/86/28/411818628.db2.gz PPRHEGWEQQMMEY-NSHDSACASA-N 1 2 240.307 0.145 20 0 BCADLO CCn1nncc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000661614402 411818629 /nfs/dbraw/zinc/81/86/29/411818629.db2.gz PPRHEGWEQQMMEY-NSHDSACASA-N 1 2 240.307 0.145 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661621727 411819695 /nfs/dbraw/zinc/81/96/95/411819695.db2.gz DIQGUUXMHDGJGU-VROVMSAKSA-N 1 2 225.292 0.827 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661621727 411819699 /nfs/dbraw/zinc/81/96/99/411819699.db2.gz DIQGUUXMHDGJGU-VROVMSAKSA-N 1 2 225.292 0.827 20 0 BCADLO COC[C@@H](COCc1[nH]cc[nH+]1)OC ZINC000664032160 411820186 /nfs/dbraw/zinc/82/01/86/411820186.db2.gz FLVALCOCGHQSQY-QMMMGPOBSA-N 1 2 200.238 0.588 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661633596 411825774 /nfs/dbraw/zinc/82/57/74/411825774.db2.gz VZZRQCMIAPWIFQ-LBPRGKRZSA-N 1 2 236.319 0.584 20 0 BCADLO O[C@@]1(C2CC2)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661633596 411825777 /nfs/dbraw/zinc/82/57/77/411825777.db2.gz VZZRQCMIAPWIFQ-LBPRGKRZSA-N 1 2 236.319 0.584 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC000661704158 411835945 /nfs/dbraw/zinc/83/59/45/411835945.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC000661704158 411835947 /nfs/dbraw/zinc/83/59/47/411835947.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC000661704158 411835952 /nfs/dbraw/zinc/83/59/52/411835952.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC000661704158 411835955 /nfs/dbraw/zinc/83/59/55/411835955.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 1 2 208.265 0.273 20 0 BCADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC000661704158 411835961 /nfs/dbraw/zinc/83/59/61/411835961.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 1 2 208.265 0.273 20 0 BCADLO Cn1ccc(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000517245256 411840808 /nfs/dbraw/zinc/84/08/08/411840808.db2.gz UQXZWQHEUQGBIN-UHFFFAOYSA-N 1 2 222.292 0.700 20 0 BCADLO Cc1cccc2[nH+]c(Cn3cc(CO)nn3)cn21 ZINC000664086097 411848400 /nfs/dbraw/zinc/84/84/00/411848400.db2.gz IAYAIIIOKVLHPD-UHFFFAOYSA-N 1 2 243.270 0.775 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000639615850 411854283 /nfs/dbraw/zinc/85/42/83/411854283.db2.gz QQMHJHAXXVRUMA-SNVBAGLBSA-N 1 2 234.303 0.827 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000639615850 411854286 /nfs/dbraw/zinc/85/42/86/411854286.db2.gz QQMHJHAXXVRUMA-SNVBAGLBSA-N 1 2 234.303 0.827 20 0 BCADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC23CCC3)n1 ZINC000328677431 411857945 /nfs/dbraw/zinc/85/79/45/411857945.db2.gz SCOXSWDHLWSTTQ-UHFFFAOYSA-N 1 2 248.334 0.648 20 0 BCADLO CN(C)c1nc(N)nc(C[N@H+]2CCC23CCC3)n1 ZINC000328677431 411857947 /nfs/dbraw/zinc/85/79/47/411857947.db2.gz SCOXSWDHLWSTTQ-UHFFFAOYSA-N 1 2 248.334 0.648 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000565171963 411858212 /nfs/dbraw/zinc/85/82/12/411858212.db2.gz JRPLUSIQFIWKAD-SCZZXKLOSA-N 1 2 249.318 0.330 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000565171963 411858217 /nfs/dbraw/zinc/85/82/17/411858217.db2.gz JRPLUSIQFIWKAD-SCZZXKLOSA-N 1 2 249.318 0.330 20 0 BCADLO CC[N@H+](Cc1nccc(N)n1)[C@@H]1CCOC1 ZINC000336668379 411858378 /nfs/dbraw/zinc/85/83/78/411858378.db2.gz MJPSLEQSIKFHEK-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO CC[N@@H+](Cc1nccc(N)n1)[C@@H]1CCOC1 ZINC000336668379 411858380 /nfs/dbraw/zinc/85/83/80/411858380.db2.gz MJPSLEQSIKFHEK-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO COC(C)(C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000562853430 411861478 /nfs/dbraw/zinc/86/14/78/411861478.db2.gz FGADJZVLRZLGMQ-UHFFFAOYSA-N 1 2 238.291 0.408 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nccc(N)n1 ZINC000351480506 411863366 /nfs/dbraw/zinc/86/33/66/411863366.db2.gz VKBZWADZKSPYGL-UHFFFAOYSA-N 1 2 238.291 0.444 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nccc(N)n1 ZINC000351480506 411863374 /nfs/dbraw/zinc/86/33/74/411863374.db2.gz VKBZWADZKSPYGL-UHFFFAOYSA-N 1 2 238.291 0.444 20 0 BCADLO CC[C@H](OC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000552018638 411885443 /nfs/dbraw/zinc/88/54/43/411885443.db2.gz NMPRHRRPGDMFAM-VIFPVBQESA-N 1 2 238.291 0.408 20 0 BCADLO C[C@@H](c1csnn1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661804631 411887248 /nfs/dbraw/zinc/88/72/48/411887248.db2.gz IAFUAYKERURONP-QMMMGPOBSA-N 1 2 240.332 0.763 20 0 BCADLO C[C@@H](c1csnn1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661804631 411887251 /nfs/dbraw/zinc/88/72/51/411887251.db2.gz IAFUAYKERURONP-QMMMGPOBSA-N 1 2 240.332 0.763 20 0 BCADLO CC1(C)C[N@H+](Cc2nccc(N)n2)[C@@H]2COC[C@@H]21 ZINC000574129977 411888005 /nfs/dbraw/zinc/88/80/05/411888005.db2.gz OVRNLWURTJXTPC-VHSXEESVSA-N 1 2 248.330 0.916 20 0 BCADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)[C@@H]2COC[C@@H]21 ZINC000574129977 411888009 /nfs/dbraw/zinc/88/80/09/411888009.db2.gz OVRNLWURTJXTPC-VHSXEESVSA-N 1 2 248.330 0.916 20 0 BCADLO CN1CC[N@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC000661807508 411889360 /nfs/dbraw/zinc/88/93/60/411889360.db2.gz VDDURWSNDKUTMU-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO CN1CC[N@@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC000661807508 411889364 /nfs/dbraw/zinc/88/93/64/411889364.db2.gz VDDURWSNDKUTMU-SSDOTTSWSA-N 1 2 240.225 0.074 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552388 411890770 /nfs/dbraw/zinc/89/07/70/411890770.db2.gz YLDXIUGRGPKZHP-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552388 411890773 /nfs/dbraw/zinc/89/07/73/411890773.db2.gz YLDXIUGRGPKZHP-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO CO[C@@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000383427383 411899438 /nfs/dbraw/zinc/89/94/38/411899438.db2.gz BDSGGFDZHULMNO-NSHDSACASA-N 1 2 237.307 0.768 20 0 BCADLO CO[C@@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000383427383 411899442 /nfs/dbraw/zinc/89/94/42/411899442.db2.gz BDSGGFDZHULMNO-NSHDSACASA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(NC[C@]2(C)CC2(F)F)nc(N)[nH+]1 ZINC000631370514 411942532 /nfs/dbraw/zinc/94/25/32/411942532.db2.gz NNEDJWFFFZZOIH-QMMMGPOBSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NC[C@]2(C)CC2(F)F)[nH+]1 ZINC000631370514 411942535 /nfs/dbraw/zinc/94/25/35/411942535.db2.gz NNEDJWFFFZZOIH-QMMMGPOBSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N(C)[C@H]2CC[C@H](O)CC2)nc(N)[nH+]1 ZINC000631241989 411942620 /nfs/dbraw/zinc/94/26/20/411942620.db2.gz YRQOXIQCFBEFGT-DTORHVGOSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N(C)[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000631241989 411942625 /nfs/dbraw/zinc/94/26/25/411942625.db2.gz YRQOXIQCFBEFGT-DTORHVGOSA-N 1 2 237.307 0.502 20 0 BCADLO CCC[C@@H](CCO)Nc1nc(C)[nH+]c(N)n1 ZINC000631425691 411906560 /nfs/dbraw/zinc/90/65/60/411906560.db2.gz GNLMNKLVSYAVNX-QMMMGPOBSA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@@H](CCO)Nc1nc(N)nc(C)[nH+]1 ZINC000631425691 411906564 /nfs/dbraw/zinc/90/65/64/411906564.db2.gz GNLMNKLVSYAVNX-QMMMGPOBSA-N 1 2 225.296 0.725 20 0 BCADLO COC(=O)NCC(=O)OCc1cc[nH+]c(N)c1 ZINC000496428617 411908531 /nfs/dbraw/zinc/90/85/31/411908531.db2.gz GAWGXRFUPPEBSH-UHFFFAOYSA-N 1 2 239.231 0.063 20 0 BCADLO COCc1n[nH]c(CNc2cc(C)[nH+]c(C)n2)n1 ZINC000664278293 411910022 /nfs/dbraw/zinc/91/00/22/411910022.db2.gz QCIDBBCNTXWUEN-UHFFFAOYSA-N 1 2 248.290 0.970 20 0 BCADLO COCc1nc(CNc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000664278293 411910030 /nfs/dbraw/zinc/91/00/30/411910030.db2.gz QCIDBBCNTXWUEN-UHFFFAOYSA-N 1 2 248.290 0.970 20 0 BCADLO CCCOCC(=O)NCc1c[nH+]c(C)nc1N ZINC000552020348 411911475 /nfs/dbraw/zinc/91/14/75/411911475.db2.gz NWHDFKVMUJWWFV-UHFFFAOYSA-N 1 2 238.291 0.410 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(N)nc(N(C)C)n1 ZINC000548424376 411912244 /nfs/dbraw/zinc/91/22/44/411912244.db2.gz YNIBPPREMDVACC-HTQZYQBOSA-N 1 2 236.323 0.503 20 0 BCADLO Cc1nc(NCCC(C)(C)F)nc(N)[nH+]1 ZINC000631362241 411942764 /nfs/dbraw/zinc/94/27/64/411942764.db2.gz RJRQCNUCFQXQIA-UHFFFAOYSA-N 1 2 213.260 0.734 20 0 BCADLO Cc1nc(N)nc(NCCC(C)(C)F)[nH+]1 ZINC000631362241 411942766 /nfs/dbraw/zinc/94/27/66/411942766.db2.gz RJRQCNUCFQXQIA-UHFFFAOYSA-N 1 2 213.260 0.734 20 0 BCADLO Cc1nc(N[C@@H](C)c2nccc(N)n2)cc[nH+]1 ZINC000631348174 411915445 /nfs/dbraw/zinc/91/54/45/411915445.db2.gz PJZQEJMSODWEDZ-ZETCQYMHSA-N 1 2 230.275 0.752 20 0 BCADLO CCC[C@H](C)[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631332156 411915822 /nfs/dbraw/zinc/91/58/22/411915822.db2.gz ZEJXEJMPRPXHEN-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO CCC[C@H](C)[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631332156 411915826 /nfs/dbraw/zinc/91/58/26/411915826.db2.gz ZEJXEJMPRPXHEN-CBAPKCEASA-N 1 2 239.323 0.971 20 0 BCADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)c1ccnn1C ZINC000564562347 411917792 /nfs/dbraw/zinc/91/77/92/411917792.db2.gz JDBOEYDNFDKECU-QMMMGPOBSA-N 1 2 245.286 1.140 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552390 411925287 /nfs/dbraw/zinc/92/52/87/411925287.db2.gz YLDXIUGRGPKZHP-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647552390 411925289 /nfs/dbraw/zinc/92/52/89/411925289.db2.gz YLDXIUGRGPKZHP-ONGXEEELSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCCOCC1 ZINC000578244731 411926715 /nfs/dbraw/zinc/92/67/15/411926715.db2.gz HAQPUORVYNTUIE-SECBINFHSA-N 1 2 222.292 0.842 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+]1CCCOCC1 ZINC000578244731 411926718 /nfs/dbraw/zinc/92/67/18/411926718.db2.gz HAQPUORVYNTUIE-SECBINFHSA-N 1 2 222.292 0.842 20 0 BCADLO C[C@H](c1nccc(N)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000625434619 411927502 /nfs/dbraw/zinc/92/75/02/411927502.db2.gz CWCFKFXKYSSJOP-MRVPVSSYSA-N 1 2 244.302 0.901 20 0 BCADLO C[C@H]1CN(Cc2cc[nH+]c(N)c2)CC[S@@]1=O ZINC000393749460 411928752 /nfs/dbraw/zinc/92/87/52/411928752.db2.gz QAXHJVTYPRFFHX-XXFAHNHDSA-N 1 2 239.344 0.617 20 0 BCADLO Nc1cc(CSc2n[nH]c(CO)n2)cc[nH+]1 ZINC000381498359 411943414 /nfs/dbraw/zinc/94/34/14/411943414.db2.gz CEUKYIJZDMKUHW-UHFFFAOYSA-N 1 2 237.288 0.567 20 0 BCADLO c1cc(CCNc2[nH+]cnc3c2OCCN3)co1 ZINC000664381671 411935887 /nfs/dbraw/zinc/93/58/87/411935887.db2.gz WAIFCFHADLBCLB-UHFFFAOYSA-N 1 2 246.270 0.641 20 0 BCADLO c1cc(CCNc2nc[nH+]c3c2OCCN3)co1 ZINC000664381671 411935891 /nfs/dbraw/zinc/93/58/91/411935891.db2.gz WAIFCFHADLBCLB-UHFFFAOYSA-N 1 2 246.270 0.641 20 0 BCADLO COc1ncccc1CNc1nc(C)[nH+]c(N)n1 ZINC000380752361 411871121 /nfs/dbraw/zinc/87/11/21/411871121.db2.gz NIKQVGCAMAIHSC-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO COc1ncccc1CNc1nc(N)nc(C)[nH+]1 ZINC000380752361 411871128 /nfs/dbraw/zinc/87/11/28/411871128.db2.gz NIKQVGCAMAIHSC-UHFFFAOYSA-N 1 2 246.274 0.200 20 0 BCADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)c1ccnn1C ZINC000564562342 411877354 /nfs/dbraw/zinc/87/73/54/411877354.db2.gz JDBOEYDNFDKECU-MRVPVSSYSA-N 1 2 245.286 1.140 20 0 BCADLO Cc1nc(N2CC[C@H](Cn3ccnn3)C2)cc[nH+]1 ZINC000664169106 411877590 /nfs/dbraw/zinc/87/75/90/411877590.db2.gz QMUOOGRRIFRDMJ-NSHDSACASA-N 1 2 244.302 0.903 20 0 BCADLO CC(C)c1nc(NCc2cncnc2N)cc[nH+]1 ZINC000339056613 411884468 /nfs/dbraw/zinc/88/44/68/411884468.db2.gz NSDJSGMACDVISN-UHFFFAOYSA-N 1 2 244.302 1.006 20 0 BCADLO Cc1nc(N2CC[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000400143671 411963731 /nfs/dbraw/zinc/96/37/31/411963731.db2.gz ZZKRGEFYKXFBHE-VIFPVBQESA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C3CC3)C2)[nH+]1 ZINC000400143671 411963735 /nfs/dbraw/zinc/96/37/35/411963735.db2.gz ZZKRGEFYKXFBHE-VIFPVBQESA-N 1 2 219.292 0.999 20 0 BCADLO Cc1nc(N2CCC[C@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631175318 411964358 /nfs/dbraw/zinc/96/43/58/411964358.db2.gz MPJSAJGQGWQOLV-APPZFPTMSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]([C@@H](C)O)C2)[nH+]1 ZINC000631175318 411964360 /nfs/dbraw/zinc/96/43/60/411964360.db2.gz MPJSAJGQGWQOLV-APPZFPTMSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N2CCC[C@@](O)(C3CC3)C2)nc(N)[nH+]1 ZINC000631361805 411964552 /nfs/dbraw/zinc/96/45/52/411964552.db2.gz WWOMICLEZSETFR-LBPRGKRZSA-N 1 2 249.318 0.504 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@](O)(C3CC3)C2)[nH+]1 ZINC000631361805 411964555 /nfs/dbraw/zinc/96/45/55/411964555.db2.gz WWOMICLEZSETFR-LBPRGKRZSA-N 1 2 249.318 0.504 20 0 BCADLO Cc1nc(N2C[C@@H](C)C(O)[C@H](C)C2)nc(N)[nH+]1 ZINC000631359653 411966178 /nfs/dbraw/zinc/96/61/78/411966178.db2.gz DKDLVPQOIYGYLM-RNFRBKRXSA-N 1 2 237.307 0.215 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)C(O)[C@H](C)C2)[nH+]1 ZINC000631359653 411966182 /nfs/dbraw/zinc/96/61/82/411966182.db2.gz DKDLVPQOIYGYLM-RNFRBKRXSA-N 1 2 237.307 0.215 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662072746 411967080 /nfs/dbraw/zinc/96/70/80/411967080.db2.gz OUQCRKAKEDAAQJ-UHFFFAOYSA-N 1 2 238.291 0.358 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662072746 411967086 /nfs/dbraw/zinc/96/70/86/411967086.db2.gz OUQCRKAKEDAAQJ-UHFFFAOYSA-N 1 2 238.291 0.358 20 0 BCADLO FCCn1ncnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662073952 411968225 /nfs/dbraw/zinc/96/82/25/411968225.db2.gz XGDLTMVQBDNWML-UHFFFAOYSA-N 1 2 240.282 0.470 20 0 BCADLO FCCn1ncnc1C[N@H+]1CCC2(COC2)C1 ZINC000662073952 411968229 /nfs/dbraw/zinc/96/82/29/411968229.db2.gz XGDLTMVQBDNWML-UHFFFAOYSA-N 1 2 240.282 0.470 20 0 BCADLO Cc1nc(N[C@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000631181027 411968550 /nfs/dbraw/zinc/96/85/50/411968550.db2.gz LRKDQKGXAFGWGC-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CC2CC2)[nH+]1 ZINC000631181027 411968552 /nfs/dbraw/zinc/96/85/52/411968552.db2.gz LRKDQKGXAFGWGC-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N[C@H]2CO[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631390999 411968595 /nfs/dbraw/zinc/96/85/95/411968595.db2.gz BORVBKRRWMYGJL-RKDXNWHRSA-N 1 2 235.291 0.742 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CO[C@@H](C3CC3)C2)[nH+]1 ZINC000631390999 411968596 /nfs/dbraw/zinc/96/85/96/411968596.db2.gz BORVBKRRWMYGJL-RKDXNWHRSA-N 1 2 235.291 0.742 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000367080235 411968724 /nfs/dbraw/zinc/96/87/24/411968724.db2.gz YWICRPDXODKFQP-VHSXEESVSA-N 1 2 234.303 0.670 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000367080235 411968727 /nfs/dbraw/zinc/96/87/27/411968727.db2.gz YWICRPDXODKFQP-VHSXEESVSA-N 1 2 234.303 0.670 20 0 BCADLO O=C1CC[C@@H](CNc2cc[nH+]c3ccncc23)N1 ZINC000664474493 411969463 /nfs/dbraw/zinc/96/94/63/411969463.db2.gz GLFNPSBLWMDLLX-VIFPVBQESA-N 1 2 242.282 0.742 20 0 BCADLO C(c1nnc2n1CCCC2)[N@@H+]1CCC2(COC2)C1 ZINC000662072674 411974003 /nfs/dbraw/zinc/97/40/03/411974003.db2.gz NAFFZVLJMYQJPJ-UHFFFAOYSA-N 1 2 248.330 0.837 20 0 BCADLO C(c1nnc2n1CCCC2)[N@H+]1CCC2(COC2)C1 ZINC000662072674 411974009 /nfs/dbraw/zinc/97/40/09/411974009.db2.gz NAFFZVLJMYQJPJ-UHFFFAOYSA-N 1 2 248.330 0.837 20 0 BCADLO Cc1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662073080 411974590 /nfs/dbraw/zinc/97/45/90/411974590.db2.gz RPABHMYURCOQBO-UHFFFAOYSA-N 1 2 209.249 0.600 20 0 BCADLO Cc1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662073080 411974593 /nfs/dbraw/zinc/97/45/93/411974593.db2.gz RPABHMYURCOQBO-UHFFFAOYSA-N 1 2 209.249 0.600 20 0 BCADLO CCc1nc(C[N@@H+]2CCC3(COC3)C2)no1 ZINC000662075724 411975566 /nfs/dbraw/zinc/97/55/66/411975566.db2.gz JIHNGONJQIPZJH-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO CCc1nc(C[N@H+]2CCC3(COC3)C2)no1 ZINC000662075724 411975568 /nfs/dbraw/zinc/97/55/68/411975568.db2.gz JIHNGONJQIPZJH-UHFFFAOYSA-N 1 2 223.276 0.854 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H]2C[C@@H]2C1 ZINC000664525837 411977489 /nfs/dbraw/zinc/97/74/89/411977489.db2.gz SDYKJAJAQRBFLK-HTQZYQBOSA-N 1 2 244.302 0.792 20 0 BCADLO c1snnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662074963 411977593 /nfs/dbraw/zinc/97/75/93/411977593.db2.gz UUJAVMGIRRDVQC-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO c1snnc1C[N@H+]1CCC2(COC2)C1 ZINC000662074963 411977597 /nfs/dbraw/zinc/97/75/97/411977597.db2.gz UUJAVMGIRRDVQC-UHFFFAOYSA-N 1 2 211.290 0.760 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662084003 411981321 /nfs/dbraw/zinc/98/13/21/411981321.db2.gz MACNWEVDTPFXQB-KOLCDFICSA-N 1 2 238.291 0.729 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662084003 411981325 /nfs/dbraw/zinc/98/13/25/411981325.db2.gz MACNWEVDTPFXQB-KOLCDFICSA-N 1 2 238.291 0.729 20 0 BCADLO Cc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(N)n1 ZINC000571345864 411983228 /nfs/dbraw/zinc/98/32/28/411983228.db2.gz WCFHVMWHSMQZNT-ZCFIWIBFSA-N 1 2 246.274 0.581 20 0 BCADLO Cc1nc(N)c(CNC(=O)Cc2ccoc2)c[nH+]1 ZINC000552018845 411985979 /nfs/dbraw/zinc/98/59/79/411985979.db2.gz ICALUOFHHRIJJY-UHFFFAOYSA-N 1 2 246.270 0.819 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@]2(C)C[C@H]2F)c[nH+]1 ZINC000570282757 411986269 /nfs/dbraw/zinc/98/62/69/411986269.db2.gz ODDIEJJXYLCULV-KCJUWKMLSA-N 1 2 238.266 0.732 20 0 BCADLO Cc1nc(N)c(CNC(=O)CC2CC2)c[nH+]1 ZINC000560499800 411986484 /nfs/dbraw/zinc/98/64/84/411986484.db2.gz QFDJDOWVVNESKH-UHFFFAOYSA-N 1 2 220.276 0.784 20 0 BCADLO CC[C@@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000308493028 170892433 /nfs/dbraw/zinc/89/24/33/170892433.db2.gz RRUASFDNMZQNCA-MRVPVSSYSA-N 1 2 203.282 0.689 20 0 BCADLO O=C(C[N@@H+]1CCc2nccnc2C1)N1CCCC1 ZINC000662121688 411992219 /nfs/dbraw/zinc/99/22/19/411992219.db2.gz FGWQRKBBEWKQHM-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO O=C(C[N@H+]1CCc2nccnc2C1)N1CCCC1 ZINC000662121688 411992221 /nfs/dbraw/zinc/99/22/21/411992221.db2.gz FGWQRKBBEWKQHM-UHFFFAOYSA-N 1 2 246.314 0.457 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662120325 411992241 /nfs/dbraw/zinc/99/22/41/411992241.db2.gz CCWVHEGZNPIGBR-LBPRGKRZSA-N 1 2 246.314 0.456 20 0 BCADLO CN1CCC[C@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662120325 411992242 /nfs/dbraw/zinc/99/22/42/411992242.db2.gz CCWVHEGZNPIGBR-LBPRGKRZSA-N 1 2 246.314 0.456 20 0 BCADLO Cn1c[nH+]cc1CN1CCc2nccnc2C1 ZINC000662123638 411994004 /nfs/dbraw/zinc/99/40/04/411994004.db2.gz BGLVKOUMBLZINX-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@@]1(C)CO ZINC000662142970 412002755 /nfs/dbraw/zinc/00/27/55/412002755.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@@]1(C)CO ZINC000662142970 412002757 /nfs/dbraw/zinc/00/27/57/412002757.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@@]1(C)CO ZINC000662142970 412002758 /nfs/dbraw/zinc/00/27/58/412002758.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@@]1(C)CO ZINC000662142970 412002760 /nfs/dbraw/zinc/00/27/60/412002760.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]n2)C[C@@]1(C)CO ZINC000662142970 412002762 /nfs/dbraw/zinc/00/27/62/412002762.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)C[C@@]1(C)CO ZINC000662142970 412002763 /nfs/dbraw/zinc/00/27/63/412002763.db2.gz LZYIULFHEILQLO-SCZZXKLOSA-N 1 2 210.281 0.255 20 0 BCADLO O[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000664643293 412002973 /nfs/dbraw/zinc/00/29/73/412002973.db2.gz WNPFMVGXEGRGAX-KYZUINATSA-N 1 2 215.256 0.987 20 0 BCADLO Cc1nc(NCCCC(C)(F)F)nc(N)[nH+]1 ZINC000390244920 411943988 /nfs/dbraw/zinc/94/39/88/411943988.db2.gz FAIREUIQRKLJQU-UHFFFAOYSA-N 1 2 231.250 1.031 20 0 BCADLO Cc1nc(N)nc(NCCCC(C)(F)F)[nH+]1 ZINC000390244920 411943992 /nfs/dbraw/zinc/94/39/92/411943992.db2.gz FAIREUIQRKLJQU-UHFFFAOYSA-N 1 2 231.250 1.031 20 0 BCADLO Cc1nc(NCc2cccc(CO)c2)nc(N)[nH+]1 ZINC000631100934 411944384 /nfs/dbraw/zinc/94/43/84/411944384.db2.gz GVKODEVARQPVRE-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO Cc1nc(N)nc(NCc2cccc(CO)c2)[nH+]1 ZINC000631100934 411944388 /nfs/dbraw/zinc/94/43/88/411944388.db2.gz GVKODEVARQPVRE-UHFFFAOYSA-N 1 2 245.286 0.289 20 0 BCADLO Cc1nc(NC[C@@H]2CC23CCOCC3)nc(N)[nH+]1 ZINC000631223234 411944626 /nfs/dbraw/zinc/94/46/26/411944626.db2.gz ZGSGOIOWKIVBDT-VIFPVBQESA-N 1 2 249.318 0.413 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC23CCOCC3)[nH+]1 ZINC000631223234 411944633 /nfs/dbraw/zinc/94/46/33/411944633.db2.gz ZGSGOIOWKIVBDT-VIFPVBQESA-N 1 2 249.318 0.413 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc(N)[nH+]1 ZINC000631301076 411945112 /nfs/dbraw/zinc/94/51/12/411945112.db2.gz BPINIVPWBXIXNW-BHNWBGBOSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)[nH+]1 ZINC000631301076 411945119 /nfs/dbraw/zinc/94/51/19/411945119.db2.gz BPINIVPWBXIXNW-BHNWBGBOSA-N 1 2 237.307 0.410 20 0 BCADLO Cc1nc(NC[C@@H]2CCOC2(C)C)nc(N)[nH+]1 ZINC000631379956 411945274 /nfs/dbraw/zinc/94/52/74/411945274.db2.gz IRGRCFSJBIEXGC-QMMMGPOBSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCOC2(C)C)[nH+]1 ZINC000631379956 411945276 /nfs/dbraw/zinc/94/52/76/411945276.db2.gz IRGRCFSJBIEXGC-QMMMGPOBSA-N 1 2 237.307 0.411 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000631183134 411945338 /nfs/dbraw/zinc/94/53/38/411945338.db2.gz ADFZWRUFEMMKTO-RKDXNWHRSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@H]2CCC[C@H]2O)[nH+]1 ZINC000631183134 411945341 /nfs/dbraw/zinc/94/53/41/411945341.db2.gz ADFZWRUFEMMKTO-RKDXNWHRSA-N 1 2 237.307 0.359 20 0 BCADLO Nc1nnc(C2CC[NH+](Cc3cc[nH]n3)CC2)o1 ZINC000639725549 411948763 /nfs/dbraw/zinc/94/87/63/411948763.db2.gz YRXBTAWWGFMHAM-UHFFFAOYSA-N 1 2 248.290 0.755 20 0 BCADLO Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc[nH+]1 ZINC000664421240 411949604 /nfs/dbraw/zinc/94/96/04/411949604.db2.gz NWDMUPHZNOMCOI-GXSJLCMTSA-N 1 2 205.261 0.746 20 0 BCADLO Nc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000647551970 411955224 /nfs/dbraw/zinc/95/52/24/411955224.db2.gz ZYIJYIYNTGWKDM-JTQLQIEISA-N 1 2 225.267 0.834 20 0 BCADLO Nc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000647551970 411955227 /nfs/dbraw/zinc/95/52/27/411955227.db2.gz ZYIJYIYNTGWKDM-JTQLQIEISA-N 1 2 225.267 0.834 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC=C(F)C1 ZINC000570226892 411955307 /nfs/dbraw/zinc/95/53/07/411955307.db2.gz TYHQXGJLTPEGFD-UHFFFAOYSA-N 1 2 248.265 1.009 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000364021576 411959266 /nfs/dbraw/zinc/95/92/66/411959266.db2.gz FVWMCZXLIKQEST-SSDOTTSWSA-N 1 2 242.229 0.600 20 0 BCADLO Cc1nc(N2CCO[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631195912 411960651 /nfs/dbraw/zinc/96/06/51/411960651.db2.gz DPEPAXIQWYIVPP-SECBINFHSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC000631195912 411960654 /nfs/dbraw/zinc/96/06/54/411960654.db2.gz DPEPAXIQWYIVPP-SECBINFHSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nc(N2CCC3(CCO3)CC2)nc(N)[nH+]1 ZINC000631263779 411960692 /nfs/dbraw/zinc/96/06/92/411960692.db2.gz KBPIHNIGFJLLSE-UHFFFAOYSA-N 1 2 235.291 0.522 20 0 BCADLO Cc1nc(N)nc(N2CCC3(CCO3)CC2)[nH+]1 ZINC000631263779 411960696 /nfs/dbraw/zinc/96/06/96/411960696.db2.gz KBPIHNIGFJLLSE-UHFFFAOYSA-N 1 2 235.291 0.522 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000637830558 411960956 /nfs/dbraw/zinc/96/09/56/411960956.db2.gz YUBGINAUWYFZAC-FKQCQYRASA-N 1 2 207.233 0.373 20 0 BCADLO Cc1nc(N2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000382352901 411961043 /nfs/dbraw/zinc/96/10/43/411961043.db2.gz CJZNXJFEIFILLQ-ZETCQYMHSA-N 1 2 207.281 1.141 20 0 BCADLO Cc1nc(N)nc(N2CCCC[C@@H]2C)[nH+]1 ZINC000382352901 411961049 /nfs/dbraw/zinc/96/10/49/411961049.db2.gz CJZNXJFEIFILLQ-ZETCQYMHSA-N 1 2 207.281 1.141 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC1(C)C ZINC000578522880 411961229 /nfs/dbraw/zinc/96/12/29/411961229.db2.gz ZFZWOOYRTVBDOZ-ZETCQYMHSA-N 1 2 232.291 1.156 20 0 BCADLO Cc1nc(N2CCC([C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000379900446 411961382 /nfs/dbraw/zinc/96/13/82/411961382.db2.gz HJTSXZFCXDAQKE-SSDOTTSWSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N)nc(N2CCC([C@@H](C)O)CC2)[nH+]1 ZINC000379900446 411961385 /nfs/dbraw/zinc/96/13/85/411961385.db2.gz HJTSXZFCXDAQKE-SSDOTTSWSA-N 1 2 237.307 0.359 20 0 BCADLO Cc1nc(N2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000382352900 411961680 /nfs/dbraw/zinc/96/16/80/411961680.db2.gz CJZNXJFEIFILLQ-SSDOTTSWSA-N 1 2 207.281 1.141 20 0 BCADLO Cc1nc(N)nc(N2CCCC[C@H]2C)[nH+]1 ZINC000382352900 411961682 /nfs/dbraw/zinc/96/16/82/411961682.db2.gz CJZNXJFEIFILLQ-SSDOTTSWSA-N 1 2 207.281 1.141 20 0 BCADLO Nc1ccc(NC(=O)[C@H]2CCCCC(=O)N2)c[nH+]1 ZINC000564837029 411961732 /nfs/dbraw/zinc/96/17/32/411961732.db2.gz AWVIGLWMQUTBOC-SECBINFHSA-N 1 2 248.286 0.661 20 0 BCADLO Nc1ccc(NC(=O)c2cnn3c2CCC3)c[nH+]1 ZINC000567882277 411961874 /nfs/dbraw/zinc/96/18/74/411961874.db2.gz PAPZMXRDMLSMJO-UHFFFAOYSA-N 1 2 243.270 1.059 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662046862 411962829 /nfs/dbraw/zinc/96/28/29/411962829.db2.gz SDSRZMLTGMLVCN-UHFFFAOYSA-N 1 2 248.290 0.578 20 0 BCADLO CCc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000664455006 411963359 /nfs/dbraw/zinc/96/33/59/411963359.db2.gz RSRRMSFPZBFTRX-SSDOTTSWSA-N 1 2 249.274 0.857 20 0 BCADLO OCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231805 412032844 /nfs/dbraw/zinc/03/28/44/412032844.db2.gz SROSADYZGBCESS-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO OCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231805 412032847 /nfs/dbraw/zinc/03/28/47/412032847.db2.gz SROSADYZGBCESS-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000664862562 412034680 /nfs/dbraw/zinc/03/46/80/412034680.db2.gz KTLDDOKPLXTYTK-UHFFFAOYSA-N 1 2 232.291 0.487 20 0 BCADLO Cn1ncnc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000664862562 412034687 /nfs/dbraw/zinc/03/46/87/412034687.db2.gz KTLDDOKPLXTYTK-UHFFFAOYSA-N 1 2 232.291 0.487 20 0 BCADLO C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245115 412042035 /nfs/dbraw/zinc/04/20/35/412042035.db2.gz KOEIUCSQBFPCBY-NWDGAFQWSA-N 1 2 239.363 0.191 20 0 BCADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](COC)C(=O)OC ZINC000309167518 171045772 /nfs/dbraw/zinc/04/57/72/171045772.db2.gz JTKDNSXCVMFAME-KXUCPTDWSA-N 1 2 215.293 0.953 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000664794166 412022848 /nfs/dbraw/zinc/02/28/48/412022848.db2.gz JVTKLXWGFHYQQV-MYJAWHEDSA-N 1 2 236.275 0.196 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000664794166 412022851 /nfs/dbraw/zinc/02/28/51/412022851.db2.gz JVTKLXWGFHYQQV-MYJAWHEDSA-N 1 2 236.275 0.196 20 0 BCADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000284436385 171059887 /nfs/dbraw/zinc/05/98/87/171059887.db2.gz PRNNEIVGJYHUTH-IDFWJGBYSA-N 1 2 235.287 0.652 20 0 BCADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000284436403 171060925 /nfs/dbraw/zinc/06/09/25/171060925.db2.gz PRNNEIVGJYHUTH-ZVECUQNESA-N 1 2 235.287 0.652 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000278744242 171065750 /nfs/dbraw/zinc/06/57/50/171065750.db2.gz VFRCLQVIIBWLTC-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000111272856 171075316 /nfs/dbraw/zinc/07/53/16/171075316.db2.gz FVIKJDCFZDVFPR-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000111272856 171075317 /nfs/dbraw/zinc/07/53/17/171075317.db2.gz FVIKJDCFZDVFPR-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000340821020 171075695 /nfs/dbraw/zinc/07/56/95/171075695.db2.gz RDMALLXXNJBGSU-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000340821020 171075698 /nfs/dbraw/zinc/07/56/98/171075698.db2.gz RDMALLXXNJBGSU-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@H]1C[N@H+](CCOC)C[C@@H](C)[S@@]1=O ZINC000352894507 171082077 /nfs/dbraw/zinc/08/20/77/171082077.db2.gz SYIUNYBDCRYPNU-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@@H+](CCOC)C[C@@H](C)[S@@]1=O ZINC000352894507 171082078 /nfs/dbraw/zinc/08/20/78/171082078.db2.gz SYIUNYBDCRYPNU-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337171278 171091556 /nfs/dbraw/zinc/09/15/56/171091556.db2.gz DNWUFAVHLCRXCG-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337171278 171091560 /nfs/dbraw/zinc/09/15/60/171091560.db2.gz DNWUFAVHLCRXCG-BDAKNGLRSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000116272235 171096257 /nfs/dbraw/zinc/09/62/57/171096257.db2.gz FQERIRDGJRORJX-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000116272235 171096259 /nfs/dbraw/zinc/09/62/59/171096259.db2.gz FQERIRDGJRORJX-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCCS(C)(=O)=O ZINC000115575149 171106339 /nfs/dbraw/zinc/10/63/39/171106339.db2.gz PISBKWYCQOSQNU-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCCS(C)(=O)=O ZINC000115575149 171106340 /nfs/dbraw/zinc/10/63/40/171106340.db2.gz PISBKWYCQOSQNU-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(C)n1 ZINC000665047113 412068433 /nfs/dbraw/zinc/06/84/33/412068433.db2.gz HUQXEOSJRLIFIN-NEPJUHHUSA-N 1 2 249.314 0.119 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(C)n1 ZINC000665047113 412068436 /nfs/dbraw/zinc/06/84/36/412068436.db2.gz HUQXEOSJRLIFIN-NEPJUHHUSA-N 1 2 249.314 0.119 20 0 BCADLO CC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330356636 171143181 /nfs/dbraw/zinc/14/31/81/171143181.db2.gz RVKVNUOWSXFCEX-BDAKNGLRSA-N 1 2 248.286 0.733 20 0 BCADLO CC[C@@](C)(O)CNC(=O)NCc1c[nH+]cn1C ZINC000360102840 171181674 /nfs/dbraw/zinc/18/16/74/171181674.db2.gz FGLJYFUMKWQQCT-LLVKDONJSA-N 1 2 240.307 0.380 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000330604221 171221429 /nfs/dbraw/zinc/22/14/29/171221429.db2.gz KZWONIPQOJQUDI-MRVPVSSYSA-N 1 2 244.291 0.300 20 0 BCADLO CC[C@H](C(=O)NCc1[nH+]ccn1C)C(=O)OC ZINC000338836623 171230231 /nfs/dbraw/zinc/23/02/31/171230231.db2.gz BADYVMOMAWINPP-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305769722 171243190 /nfs/dbraw/zinc/24/31/90/171243190.db2.gz JHSBRBSHVKUGBQ-RITPCOANSA-N 1 2 228.214 0.105 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305769722 171243192 /nfs/dbraw/zinc/24/31/92/171243192.db2.gz JHSBRBSHVKUGBQ-RITPCOANSA-N 1 2 228.214 0.105 20 0 BCADLO CC[C@H](C)C[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000336725949 171288023 /nfs/dbraw/zinc/28/80/23/171288023.db2.gz GOJLLTSTNKGTER-GXSJLCMTSA-N 1 2 215.293 0.954 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330809582 171325561 /nfs/dbraw/zinc/32/55/61/171325561.db2.gz BFIHUVBXYONEED-UWVGGRQHSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330809582 171325563 /nfs/dbraw/zinc/32/55/63/171325563.db2.gz BFIHUVBXYONEED-UWVGGRQHSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000363489703 171325636 /nfs/dbraw/zinc/32/56/36/171325636.db2.gz MLXUDKOUXHCYDQ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363489703 171325637 /nfs/dbraw/zinc/32/56/37/171325637.db2.gz MLXUDKOUXHCYDQ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340223810 171330853 /nfs/dbraw/zinc/33/08/53/171330853.db2.gz ZJTLBAVEGACHBI-AEJSXWLSSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340223810 171330855 /nfs/dbraw/zinc/33/08/55/171330855.db2.gz ZJTLBAVEGACHBI-AEJSXWLSSA-N 1 2 241.335 0.110 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCC(=O)NC)C(=O)OC ZINC000309411705 171399163 /nfs/dbraw/zinc/39/91/63/171399163.db2.gz BXYBITBFYURQMU-WPRPVWTQSA-N 1 2 230.308 0.300 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1cccnn1 ZINC000381363180 412140452 /nfs/dbraw/zinc/14/04/52/412140452.db2.gz DMNGDJRJFCXKEL-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1cccnn1 ZINC000381363180 412140455 /nfs/dbraw/zinc/14/04/55/412140455.db2.gz DMNGDJRJFCXKEL-SNVBAGLBSA-N 1 2 222.292 0.609 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662343599 412112079 /nfs/dbraw/zinc/11/20/79/412112079.db2.gz AIYBIKQXTAQESL-QMMMGPOBSA-N 1 2 209.297 0.688 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662343599 412112082 /nfs/dbraw/zinc/11/20/82/412112082.db2.gz AIYBIKQXTAQESL-QMMMGPOBSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+](CCOCCO)CCO1 ZINC000662367865 412125731 /nfs/dbraw/zinc/12/57/31/412125731.db2.gz QYYTTYUNMKFTAQ-JTQLQIEISA-N 1 2 239.262 0.351 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+](CCOCCO)CCO1 ZINC000662367865 412125735 /nfs/dbraw/zinc/12/57/35/412125735.db2.gz QYYTTYUNMKFTAQ-JTQLQIEISA-N 1 2 239.262 0.351 20 0 BCADLO Cn1ncc2c1nc(NC[C@@H]1CC1(C)C)[nH+]c2N ZINC000333109150 412192096 /nfs/dbraw/zinc/19/20/96/412192096.db2.gz XDBLSWGPVIYYNB-ZETCQYMHSA-N 1 2 246.318 1.404 20 0 BCADLO C[C@H](CC(=O)Nc1ccn(C)n1)n1cc[nH+]c1 ZINC000578326741 412194323 /nfs/dbraw/zinc/19/43/23/412194323.db2.gz DEXNQWYVKCGQMV-SECBINFHSA-N 1 2 233.275 1.206 20 0 BCADLO CN(C)c1ccc(NCc2ccn(C)n2)[nH+]c1 ZINC000557856837 412198966 /nfs/dbraw/zinc/19/89/66/412198966.db2.gz GNYGMXOIIWDFRU-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BCADLO CN(C)c1[nH+]cccc1CNc1cccnn1 ZINC000548746787 412201934 /nfs/dbraw/zinc/20/19/34/412201934.db2.gz XHAWUJFRMJNDPJ-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BCADLO Cn1cnc(CCCNc2cc(CO)cc[nH+]2)n1 ZINC000641646754 412152264 /nfs/dbraw/zinc/15/22/64/412152264.db2.gz VZSKMOWDMGEHKX-UHFFFAOYSA-N 1 2 247.302 0.747 20 0 BCADLO Cn1cnc(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000436372548 412152882 /nfs/dbraw/zinc/15/28/82/412152882.db2.gz RQCVEEDCVPDDLB-UHFFFAOYSA-N 1 2 244.302 1.137 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1cc2c(nn1)CCC2 ZINC000624619500 412255670 /nfs/dbraw/zinc/25/56/70/412255670.db2.gz DUGXXXOKXUQZQW-LLVKDONJSA-N 1 2 248.330 0.708 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1cc2c(nn1)CCC2 ZINC000624619500 412255672 /nfs/dbraw/zinc/25/56/72/412255672.db2.gz DUGXXXOKXUQZQW-LLVKDONJSA-N 1 2 248.330 0.708 20 0 BCADLO C[C@H]1CC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000553705287 412263077 /nfs/dbraw/zinc/26/30/77/412263077.db2.gz XQRUDRLAESYOJV-POYBYMJQSA-N 1 2 232.291 1.156 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000450845811 412265457 /nfs/dbraw/zinc/26/54/57/412265457.db2.gz NWGXBTMILPVFGV-SECBINFHSA-N 1 2 236.319 1.537 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000665276209 412219299 /nfs/dbraw/zinc/21/92/99/412219299.db2.gz CLIINESAEGAABZ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000665276209 412219302 /nfs/dbraw/zinc/21/93/02/412219302.db2.gz CLIINESAEGAABZ-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](C3CCC3)C2)n1 ZINC000665290065 412235457 /nfs/dbraw/zinc/23/54/57/412235457.db2.gz ICCFDXAXPUBSHL-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](C3CCC3)C2)n1 ZINC000665290065 412235460 /nfs/dbraw/zinc/23/54/60/412235460.db2.gz ICCFDXAXPUBSHL-SNVBAGLBSA-N 1 2 221.308 0.832 20 0 BCADLO CN1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000359018541 412251047 /nfs/dbraw/zinc/25/10/47/412251047.db2.gz YAEMASZUTHHURG-SNVBAGLBSA-N 1 2 246.314 1.387 20 0 BCADLO CNc1cc2c(nn1)CC[N@H+](CC(F)F)C2 ZINC000381759940 412306234 /nfs/dbraw/zinc/30/62/34/412306234.db2.gz TUWCMVVRHIWBAP-UHFFFAOYSA-N 1 2 228.246 1.142 20 0 BCADLO CNc1cc2c(nn1)CC[N@@H+](CC(F)F)C2 ZINC000381759940 412306237 /nfs/dbraw/zinc/30/62/37/412306237.db2.gz TUWCMVVRHIWBAP-UHFFFAOYSA-N 1 2 228.246 1.142 20 0 BCADLO CC(C)c1nc(NCCCOCCO)cc[nH+]1 ZINC000355565279 412323101 /nfs/dbraw/zinc/32/31/01/412323101.db2.gz BFTRNDFYVRTRRT-UHFFFAOYSA-N 1 2 239.319 1.411 20 0 BCADLO CC1(CNc2[nH+]cnc3c2OCCN3)COC1 ZINC000647868289 412332209 /nfs/dbraw/zinc/33/22/09/412332209.db2.gz ONMOAZXZWJQHND-UHFFFAOYSA-N 1 2 236.275 0.729 20 0 BCADLO CC1(CNc2nc[nH+]c3c2OCCN3)COC1 ZINC000647868289 412332214 /nfs/dbraw/zinc/33/22/14/412332214.db2.gz ONMOAZXZWJQHND-UHFFFAOYSA-N 1 2 236.275 0.729 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1cc(C)[nH+]cn1 ZINC000523695498 412333891 /nfs/dbraw/zinc/33/38/91/412333891.db2.gz OPYRJLNXMALHML-SECBINFHSA-N 1 2 233.275 0.709 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H](O)C1CC1 ZINC000665475262 412333936 /nfs/dbraw/zinc/33/39/36/412333936.db2.gz RSDPTRZFFRQUBH-SNVBAGLBSA-N 1 2 223.276 0.149 20 0 BCADLO CCC1(CNc2nc[nH+]c(N)c2OC)COC1 ZINC000567062129 412339008 /nfs/dbraw/zinc/33/90/08/412339008.db2.gz SURKRRAMGVLWGV-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO CCC1(CNc2[nH+]cnc(N)c2OC)COC1 ZINC000567062129 412339010 /nfs/dbraw/zinc/33/90/10/412339010.db2.gz SURKRRAMGVLWGV-UHFFFAOYSA-N 1 2 238.291 0.906 20 0 BCADLO CCC1(CNc2nc[nH+]c(N)c2Cl)COC1 ZINC000450850430 412339290 /nfs/dbraw/zinc/33/92/90/412339290.db2.gz ZGLNYTSXKKDRJL-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BCADLO CCC1(CNc2[nH+]cnc(N)c2Cl)COC1 ZINC000450850430 412339292 /nfs/dbraw/zinc/33/92/92/412339292.db2.gz ZGLNYTSXKKDRJL-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BCADLO CCCCc1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC000631171704 412347457 /nfs/dbraw/zinc/34/74/57/412347457.db2.gz ZOWVYZHMPPCHQR-SNVBAGLBSA-N 1 2 225.292 0.584 20 0 BCADLO COC(=O)c1cncnc1NCc1c[nH+]cn1C ZINC000388510994 412347966 /nfs/dbraw/zinc/34/79/66/412347966.db2.gz QYYIVGNZNHZKEM-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)nn1C ZINC000584369524 412360563 /nfs/dbraw/zinc/36/05/63/412360563.db2.gz GINBFKWYZSHCGT-UHFFFAOYSA-N 1 2 233.275 0.643 20 0 BCADLO Cc1cn(C)nc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000662970631 412360532 /nfs/dbraw/zinc/36/05/32/412360532.db2.gz NPVVVZROIRBWAJ-ZETCQYMHSA-N 1 2 226.305 0.330 20 0 BCADLO Cc1cn(C)nc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000662970630 412360695 /nfs/dbraw/zinc/36/06/95/412360695.db2.gz NPVVVZROIRBWAJ-SSDOTTSWSA-N 1 2 226.305 0.330 20 0 BCADLO Cc1c[nH]nc1NC(=O)Nc1cc[nH+]cc1C ZINC000334294193 412299823 /nfs/dbraw/zinc/29/98/23/412299823.db2.gz SGSQBFSDDQKAIS-UHFFFAOYSA-N 1 2 231.259 1.487 20 0 BCADLO Cc1c[nH]nc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364912655 412300750 /nfs/dbraw/zinc/30/07/50/412300750.db2.gz CKJKLJCUNKVVSL-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BCADLO Nc1[nH+]cnc(NC[C@H](CO)C2CC2)c1Cl ZINC000336658316 412302957 /nfs/dbraw/zinc/30/29/57/412302957.db2.gz ISVFYQMNQUKNOT-SSDOTTSWSA-N 1 2 242.710 1.143 20 0 BCADLO Nc1nc[nH+]c(NC[C@H](CO)C2CC2)c1Cl ZINC000336658316 412302959 /nfs/dbraw/zinc/30/29/59/412302959.db2.gz ISVFYQMNQUKNOT-SSDOTTSWSA-N 1 2 242.710 1.143 20 0 BCADLO Nc1[nH+]cnc(NCC2=CCOCC2)c1Cl ZINC000397608969 412303659 /nfs/dbraw/zinc/30/36/59/412303659.db2.gz BJTIVBGTDBTSDZ-UHFFFAOYSA-N 1 2 240.694 1.471 20 0 BCADLO Nc1nc[nH+]c(NCC2=CCOCC2)c1Cl ZINC000397608969 412303660 /nfs/dbraw/zinc/30/36/60/412303660.db2.gz BJTIVBGTDBTSDZ-UHFFFAOYSA-N 1 2 240.694 1.471 20 0 BCADLO CCN(C)C(=O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000359704718 412373556 /nfs/dbraw/zinc/37/35/56/412373556.db2.gz GVAKKFZQZZMGCR-UHFFFAOYSA-N 1 2 247.302 1.157 20 0 BCADLO COCC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000341414910 412375102 /nfs/dbraw/zinc/37/51/02/412375102.db2.gz XKZFWBYERNKOET-JTQLQIEISA-N 1 2 239.319 1.409 20 0 BCADLO CCN1CC(=O)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663231824 412395414 /nfs/dbraw/zinc/39/54/14/412395414.db2.gz PCPXLCHMYOSRRP-LLVKDONJSA-N 1 2 220.276 0.280 20 0 BCADLO CCc1nc([C@@H](C)[NH2+]CC(N)=O)cs1 ZINC000184703200 172002710 /nfs/dbraw/zinc/00/27/10/172002710.db2.gz LZJFEHFMDCTESR-ZCFIWIBFSA-N 1 2 213.306 0.841 20 0 BCADLO CCc1nc([C@@H]2CCC[N@H+](CC(N)=O)C2)no1 ZINC000360155781 172004008 /nfs/dbraw/zinc/00/40/08/172004008.db2.gz ANULPJHVAWWUPG-MRVPVSSYSA-N 1 2 238.291 0.297 20 0 BCADLO CCc1nc([C@@H]2CCC[N@@H+](CC(N)=O)C2)no1 ZINC000360155781 172004010 /nfs/dbraw/zinc/00/40/10/172004010.db2.gz ANULPJHVAWWUPG-MRVPVSSYSA-N 1 2 238.291 0.297 20 0 BCADLO CCc1nn(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000092445940 172040143 /nfs/dbraw/zinc/04/01/43/172040143.db2.gz STDMGNUEWBVKPW-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCOCCO)o1 ZINC000310292467 172047786 /nfs/dbraw/zinc/04/77/86/172047786.db2.gz JXNQYWCLICAYGB-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCOCCO)o1 ZINC000310292467 172047788 /nfs/dbraw/zinc/04/77/88/172047788.db2.gz JXNQYWCLICAYGB-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(CO)CC2)n1C ZINC000331428046 172048169 /nfs/dbraw/zinc/04/81/69/172048169.db2.gz CFSILYIUHUDTEN-UHFFFAOYSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(CO)CC2)n1C ZINC000331428046 172048171 /nfs/dbraw/zinc/04/81/71/172048171.db2.gz CFSILYIUHUDTEN-UHFFFAOYSA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CCC2)o1 ZINC000221170350 172048723 /nfs/dbraw/zinc/04/87/23/172048723.db2.gz RHGBFUKAFLUNEK-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CCC2)o1 ZINC000221170350 172048726 /nfs/dbraw/zinc/04/87/26/172048726.db2.gz RHGBFUKAFLUNEK-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H](CC)CO)o1 ZINC000345821864 172049189 /nfs/dbraw/zinc/04/91/89/172049189.db2.gz ABZCHOADCYCANF-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H](CC)CO)o1 ZINC000345821864 172049192 /nfs/dbraw/zinc/04/91/92/172049192.db2.gz ABZCHOADCYCANF-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nnc(CN2CCn3cc[nH+]c3C2)n1C ZINC000331904626 172049433 /nfs/dbraw/zinc/04/94/33/172049433.db2.gz QTUGHYZBGIKICZ-UHFFFAOYSA-N 1 2 246.318 0.590 20 0 BCADLO CCc1nnc([C@H](C)[N@H+](C)CCOCCO)o1 ZINC000337491565 172065498 /nfs/dbraw/zinc/06/54/98/172065498.db2.gz OCSUWFYSXZOHRE-VIFPVBQESA-N 1 2 243.307 0.634 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+](C)CCOCCO)o1 ZINC000337491565 172065501 /nfs/dbraw/zinc/06/55/01/172065501.db2.gz OCSUWFYSXZOHRE-VIFPVBQESA-N 1 2 243.307 0.634 20 0 BCADLO CCc1noc(C)c1C[NH2+]C1(C(N)=O)CC1 ZINC000336758676 172080042 /nfs/dbraw/zinc/08/00/42/172080042.db2.gz IMIHLIBULWYVTQ-UHFFFAOYSA-N 1 2 223.276 0.653 20 0 BCADLO CCc1noc([C@@H](C)[N@H+](C)CCOCCO)n1 ZINC000337422305 172089645 /nfs/dbraw/zinc/08/96/45/172089645.db2.gz BSKXAZUCZPWSAY-SECBINFHSA-N 1 2 243.307 0.634 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+](C)CCOCCO)n1 ZINC000337422305 172089646 /nfs/dbraw/zinc/08/96/46/172089646.db2.gz BSKXAZUCZPWSAY-SECBINFHSA-N 1 2 243.307 0.634 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@H](C)C(N)=O ZINC000293310128 172094788 /nfs/dbraw/zinc/09/47/88/172094788.db2.gz FKDZBQLGWCNNAA-SSDOTTSWSA-N 1 2 211.265 0.543 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000293310128 172094790 /nfs/dbraw/zinc/09/47/90/172094790.db2.gz FKDZBQLGWCNNAA-SSDOTTSWSA-N 1 2 211.265 0.543 20 0 BCADLO CCc1ocnc1C(=O)N1CC[NH+](C)CC1 ZINC000265742920 172121275 /nfs/dbraw/zinc/12/12/75/172121275.db2.gz WPGOQXJZMMTEMX-UHFFFAOYSA-N 1 2 223.276 0.625 20 0 BCADLO CCn1c(C)nnc1C[N@H+](CCO)C1CC1 ZINC000303260140 172138457 /nfs/dbraw/zinc/13/84/57/172138457.db2.gz MTFLOCNPELMUGK-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](CCO)C1CC1 ZINC000303260140 172138460 /nfs/dbraw/zinc/13/84/60/172138460.db2.gz MTFLOCNPELMUGK-UHFFFAOYSA-N 1 2 224.308 0.563 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)CC(C)(C)O ZINC000304138590 172139103 /nfs/dbraw/zinc/13/91/03/172139103.db2.gz UBZIGVXQZFWPKZ-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)CC(C)(C)O ZINC000304138590 172139104 /nfs/dbraw/zinc/13/91/04/172139104.db2.gz UBZIGVXQZFWPKZ-UHFFFAOYSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(=O)[nH]nc1SCCn1cc[nH+]c1 ZINC000179477222 172147598 /nfs/dbraw/zinc/14/75/98/172147598.db2.gz LNBKJDXDMALAJE-UHFFFAOYSA-N 1 2 239.304 0.580 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000265396166 172162914 /nfs/dbraw/zinc/16/29/14/172162914.db2.gz WFHQZLUCMWSIMG-NSHDSACASA-N 1 2 236.319 0.566 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000265396166 172162916 /nfs/dbraw/zinc/16/29/16/172162916.db2.gz WFHQZLUCMWSIMG-NSHDSACASA-N 1 2 236.319 0.566 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@H](COC)C2)cn1 ZINC000093528389 172165738 /nfs/dbraw/zinc/16/57/38/172165738.db2.gz GSSUOZIHYOERLG-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@H](COC)C2)cn1 ZINC000093528389 172165739 /nfs/dbraw/zinc/16/57/39/172165739.db2.gz GSSUOZIHYOERLG-LBPRGKRZSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000174619144 172182654 /nfs/dbraw/zinc/18/26/54/172182654.db2.gz FSPLCBIGEQDGOA-JTQLQIEISA-N 1 2 238.291 0.172 20 0 BCADLO CCn1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000174619144 172182657 /nfs/dbraw/zinc/18/26/57/172182657.db2.gz FSPLCBIGEQDGOA-JTQLQIEISA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ccnc(N[C@H](C)Cn2cc[nH+]c2)c1=O ZINC000061765074 172212231 /nfs/dbraw/zinc/21/22/31/172212231.db2.gz ZOXZJKPFTFTGAC-SNVBAGLBSA-N 1 2 247.302 0.960 20 0 BCADLO CCn1ccnc(N[C@@H](C)Cn2cc[nH+]c2)c1=O ZINC000061765073 172212444 /nfs/dbraw/zinc/21/24/44/172212444.db2.gz ZOXZJKPFTFTGAC-JTQLQIEISA-N 1 2 247.302 0.960 20 0 BCADLO CCn1ccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362763900 172213508 /nfs/dbraw/zinc/21/35/08/172213508.db2.gz XENCDOIGMPJDFZ-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1ccnc1C(=O)NCc1[nH+]ccn1C ZINC000291577110 172216633 /nfs/dbraw/zinc/21/66/33/172216633.db2.gz UIZXNGKAIFZTKG-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCn1ccnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000291561465 172217213 /nfs/dbraw/zinc/21/72/13/172217213.db2.gz XZZYBKUEOZCLNA-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO CCn1ccnc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330904524 172218871 /nfs/dbraw/zinc/21/88/71/172218871.db2.gz RCOVNXYIJCQAGB-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCn1ccnc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000330904524 172218875 /nfs/dbraw/zinc/21/88/75/172218875.db2.gz RCOVNXYIJCQAGB-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO CCn1cc[nH+]c1CN1CC[C@](F)(CO)C1 ZINC000338584512 172222558 /nfs/dbraw/zinc/22/25/58/172222558.db2.gz CXGWHHCOOZYYSK-LLVKDONJSA-N 1 2 227.283 0.809 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)CC(N)=O)c1C ZINC000271027597 172245220 /nfs/dbraw/zinc/24/52/20/172245220.db2.gz AZZMNUDVZKNEBF-UHFFFAOYSA-N 1 2 224.308 0.437 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)CC(N)=O)c1C ZINC000271027597 172245222 /nfs/dbraw/zinc/24/52/22/172245222.db2.gz AZZMNUDVZKNEBF-UHFFFAOYSA-N 1 2 224.308 0.437 20 0 BCADLO CCn1nccc1CC[N@H+](C)CC(=O)OC ZINC000284068862 172259319 /nfs/dbraw/zinc/25/93/19/172259319.db2.gz RIHZEHSFRXLEQU-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CCn1nccc1CC[N@@H+](C)CC(=O)OC ZINC000284068862 172259322 /nfs/dbraw/zinc/25/93/22/172259322.db2.gz RIHZEHSFRXLEQU-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000352342166 172262830 /nfs/dbraw/zinc/26/28/30/172262830.db2.gz OTFPFCSPOSTWSJ-QMMMGPOBSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000352342166 172262833 /nfs/dbraw/zinc/26/28/33/172262833.db2.gz OTFPFCSPOSTWSJ-QMMMGPOBSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1nccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329874971 172275529 /nfs/dbraw/zinc/27/55/29/172275529.db2.gz GFFOCAYTESZNSP-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO CCn1nccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329874971 172275533 /nfs/dbraw/zinc/27/55/33/172275533.db2.gz GFFOCAYTESZNSP-VIFPVBQESA-N 1 2 238.291 0.172 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCOCC[C@@H]1C ZINC000365343778 172278904 /nfs/dbraw/zinc/27/89/04/172278904.db2.gz MAAQQUFPNYXCQY-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@H+]1CCOCC[C@@H]1C ZINC000365343778 172278905 /nfs/dbraw/zinc/27/89/05/172278905.db2.gz MAAQQUFPNYXCQY-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC000674814843 487624541 /nfs/dbraw/zinc/62/45/41/487624541.db2.gz YICWIYGBMQWRFL-SNVBAGLBSA-N 1 2 223.276 0.112 20 0 BCADLO CCn1ncnc1C[N@H+](C)C1(CO)CC1 ZINC000331519061 172279394 /nfs/dbraw/zinc/27/93/94/172279394.db2.gz QSHNIPIEPCTOTD-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C1(CO)CC1 ZINC000331519061 172279397 /nfs/dbraw/zinc/27/93/97/172279397.db2.gz QSHNIPIEPCTOTD-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000332629640 172280174 /nfs/dbraw/zinc/28/01/74/172280174.db2.gz HYBJWKYHKILHCT-UWVGGRQHSA-N 1 2 240.307 0.144 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000369682561 172280408 /nfs/dbraw/zinc/28/04/08/172280408.db2.gz FOPOGFIYOFQHPW-VIFPVBQESA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000369682561 172280410 /nfs/dbraw/zinc/28/04/10/172280410.db2.gz FOPOGFIYOFQHPW-VIFPVBQESA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332741839 172280569 /nfs/dbraw/zinc/28/05/69/172280569.db2.gz ZRJCNPLSEXXXHY-RKDXNWHRSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332741839 172280572 /nfs/dbraw/zinc/28/05/72/172280572.db2.gz ZRJCNPLSEXXXHY-RKDXNWHRSA-N 1 2 210.281 0.253 20 0 BCADLO CCn1ncnc1C[NH2+]Cc1nc(C)ccc1O ZINC000355575500 172282391 /nfs/dbraw/zinc/28/23/91/172282391.db2.gz ABAOTCWWQCVJLR-UHFFFAOYSA-N 1 2 247.302 0.997 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCOC1 ZINC000364948202 172329136 /nfs/dbraw/zinc/32/91/36/172329136.db2.gz JWNUBHGLIDJNLU-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC(O)C1 ZINC000336338711 172341538 /nfs/dbraw/zinc/34/15/38/172341538.db2.gz NHJBROFNIZGDBP-UHFFFAOYSA-N 1 2 245.282 0.930 20 0 BCADLO CN(C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000109830037 172377248 /nfs/dbraw/zinc/37/72/48/172377248.db2.gz JRZARBWPQMSVLB-UHFFFAOYSA-N 1 2 237.307 0.209 20 0 BCADLO C[N@H+](CC(=O)Nc1nccs1)[C@H]1CCOC1 ZINC000106883601 172613700 /nfs/dbraw/zinc/61/37/00/172613700.db2.gz AEBTUKAGZZALKE-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO C[N@@H+](CC(=O)Nc1nccs1)[C@H]1CCOC1 ZINC000106883601 172613702 /nfs/dbraw/zinc/61/37/02/172613702.db2.gz AEBTUKAGZZALKE-QMMMGPOBSA-N 1 2 241.316 0.802 20 0 BCADLO CN1CCC[C@@H]([NH2+]Cc2cscn2)C1=O ZINC000308954738 173020735 /nfs/dbraw/zinc/02/07/35/173020735.db2.gz QDKMTXKSAUQUNO-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC000299596084 173051598 /nfs/dbraw/zinc/05/15/98/173051598.db2.gz WYQBQYBSXNPWIG-LURJTMIESA-N 1 2 212.278 0.571 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC000299596084 173051601 /nfs/dbraw/zinc/05/16/01/173051601.db2.gz WYQBQYBSXNPWIG-LURJTMIESA-N 1 2 212.278 0.571 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccncc2F)CC1 ZINC000077490198 173073234 /nfs/dbraw/zinc/07/32/34/173073234.db2.gz RGGJLMRRZFAJHS-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000329299068 173073538 /nfs/dbraw/zinc/07/35/38/173073538.db2.gz UYAOYWGWQAJCNT-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2ncc(F)cn2)C1 ZINC000135395349 173075272 /nfs/dbraw/zinc/07/52/72/173075272.db2.gz VVTTVXYDGFSPRC-SNVBAGLBSA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2ncc(F)cn2)C1 ZINC000135395349 173075275 /nfs/dbraw/zinc/07/52/75/173075275.db2.gz VVTTVXYDGFSPRC-SNVBAGLBSA-N 1 2 239.298 0.273 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2cccc(F)n2)C1 ZINC000068809614 173075405 /nfs/dbraw/zinc/07/54/05/173075405.db2.gz ZJMQYHUQHVDIGW-SNVBAGLBSA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2cccc(F)n2)C1 ZINC000068809614 173075406 /nfs/dbraw/zinc/07/54/06/173075406.db2.gz ZJMQYHUQHVDIGW-SNVBAGLBSA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2cnccn2)C1 ZINC000082669149 173077743 /nfs/dbraw/zinc/07/77/43/173077743.db2.gz RYLYACGVQOBUPX-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2cnccn2)C1 ZINC000082669149 173077747 /nfs/dbraw/zinc/07/77/47/173077747.db2.gz RYLYACGVQOBUPX-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@H+](C[C@@H](O)c2ccccc2)CC1=O ZINC000119374048 173084998 /nfs/dbraw/zinc/08/49/98/173084998.db2.gz HXMJAHHDMNKKGP-GFCCVEGCSA-N 1 2 234.299 0.494 20 0 BCADLO CN1CC[N@@H+](C[C@@H](O)c2ccccc2)CC1=O ZINC000119374048 173084999 /nfs/dbraw/zinc/08/49/99/173084999.db2.gz HXMJAHHDMNKKGP-GFCCVEGCSA-N 1 2 234.299 0.494 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCC=CO2)CC1=O ZINC000193972991 173085279 /nfs/dbraw/zinc/08/52/79/173085279.db2.gz SSJNXGAYIKCBOH-SNVBAGLBSA-N 1 2 210.277 0.453 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCC=CO2)CC1=O ZINC000193972991 173085282 /nfs/dbraw/zinc/08/52/82/173085282.db2.gz SSJNXGAYIKCBOH-SNVBAGLBSA-N 1 2 210.277 0.453 20 0 BCADLO CN1CCN(Cc2c[nH+]c[nH]2)C(C)(C)C1=O ZINC000093642622 173089644 /nfs/dbraw/zinc/08/96/44/173089644.db2.gz YJVRQQTVZVNORD-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO CN1CCN(Cc2c[nH]c[nH+]2)C(C)(C)C1=O ZINC000093642622 173089646 /nfs/dbraw/zinc/08/96/46/173089646.db2.gz YJVRQQTVZVNORD-UHFFFAOYSA-N 1 2 222.292 0.462 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CC2CCC2)CC1 ZINC000120292280 173092363 /nfs/dbraw/zinc/09/23/63/173092363.db2.gz PUGPEHORFWMSER-UHFFFAOYSA-N 1 2 232.349 0.364 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)C2(C)CC2)CC1 ZINC000336451958 173093561 /nfs/dbraw/zinc/09/35/61/173093561.db2.gz RENRHEQRQOKMDY-UHFFFAOYSA-N 1 2 218.322 0.116 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CCN(C)C(=O)C1 ZINC000270616346 173096198 /nfs/dbraw/zinc/09/61/98/173096198.db2.gz ZOIGPOJADGMSLA-UHFFFAOYSA-N 1 2 244.298 0.852 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ccccn2)C1 ZINC000082643957 173101426 /nfs/dbraw/zinc/10/14/26/173101426.db2.gz SHHNQPDEDWZLPQ-JTQLQIEISA-N 1 2 207.277 0.824 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ccccn2)C1 ZINC000082643957 173101430 /nfs/dbraw/zinc/10/14/30/173101430.db2.gz SHHNQPDEDWZLPQ-JTQLQIEISA-N 1 2 207.277 0.824 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000121394871 173102490 /nfs/dbraw/zinc/10/24/90/173102490.db2.gz KIIBGJGMUZTXLF-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000121394871 173102493 /nfs/dbraw/zinc/10/24/93/173102493.db2.gz KIIBGJGMUZTXLF-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC000250418289 173106758 /nfs/dbraw/zinc/10/67/58/173106758.db2.gz BLFTXLAKAVAZGT-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC000250418289 173106759 /nfs/dbraw/zinc/10/67/59/173106759.db2.gz BLFTXLAKAVAZGT-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CN1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328639186 173120837 /nfs/dbraw/zinc/12/08/37/173120837.db2.gz DPTWBWDDXQWWCL-DTWKUNHWSA-N 1 2 225.292 0.268 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328639186 173120838 /nfs/dbraw/zinc/12/08/38/173120838.db2.gz DPTWBWDDXQWWCL-DTWKUNHWSA-N 1 2 225.292 0.268 20 0 BCADLO C[N@@H+]1CCc2ncnc(NC[C@@H]3CCOC3)c2C1 ZINC000299642159 173174611 /nfs/dbraw/zinc/17/46/11/173174611.db2.gz VXYVZOOXJUGHAC-JTQLQIEISA-N 1 2 248.330 0.913 20 0 BCADLO C[N@H+]1CCc2ncnc(NC[C@@H]3CCOC3)c2C1 ZINC000299642159 173174614 /nfs/dbraw/zinc/17/46/14/173174614.db2.gz VXYVZOOXJUGHAC-JTQLQIEISA-N 1 2 248.330 0.913 20 0 BCADLO CN1C[C@@H]([NH2+]Cc2cscn2)CC1=O ZINC000263697354 173186670 /nfs/dbraw/zinc/18/66/70/173186670.db2.gz FFDBEXNDZHMAME-ZETCQYMHSA-N 1 2 211.290 0.463 20 0 BCADLO CNc1ccc(Nc2nccn3cnnc23)c[nH+]1 ZINC000356503654 173210335 /nfs/dbraw/zinc/21/03/35/173210335.db2.gz JNTJVUJPVRWJRS-UHFFFAOYSA-N 1 2 241.258 0.148 20 0 BCADLO CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000375081214 173217833 /nfs/dbraw/zinc/21/78/33/173217833.db2.gz PASUDWFZKSWPEL-LLVKDONJSA-N 1 2 247.298 0.035 20 0 BCADLO CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375081214 173217834 /nfs/dbraw/zinc/21/78/34/173217834.db2.gz PASUDWFZKSWPEL-LLVKDONJSA-N 1 2 247.298 0.035 20 0 BCADLO CNC(=O)C1(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000106020996 173222312 /nfs/dbraw/zinc/22/23/12/173222312.db2.gz ZIWUVTAVKXOXNT-UHFFFAOYSA-N 1 2 249.270 0.555 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccc(OC)nc2)C1 ZINC000275203282 173227716 /nfs/dbraw/zinc/22/77/16/173227716.db2.gz IFQPPZXHKADYLM-UHFFFAOYSA-N 1 2 235.287 0.268 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1cn[nH]c1C ZINC000093734155 173237500 /nfs/dbraw/zinc/23/75/00/173237500.db2.gz KAMSUVGDWNOXKR-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1cn[nH]c1C ZINC000093734155 173237502 /nfs/dbraw/zinc/23/75/02/173237502.db2.gz KAMSUVGDWNOXKR-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nccc(C)n1 ZINC000330455289 173248999 /nfs/dbraw/zinc/24/89/99/173248999.db2.gz DJDVNJCELCVVGZ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nccc(C)n1 ZINC000330455289 173249001 /nfs/dbraw/zinc/24/90/01/173249001.db2.gz DJDVNJCELCVVGZ-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CNC(=O)CC[NH2+]C(C)(C)c1noc(C)n1 ZINC000336772762 173259294 /nfs/dbraw/zinc/25/92/94/173259294.db2.gz VRMDXBUHWTWPQA-UHFFFAOYSA-N 1 2 226.280 0.339 20 0 BCADLO CNC(=O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000301975039 173261571 /nfs/dbraw/zinc/26/15/71/173261571.db2.gz CMCXWYIHVGYOGA-UHFFFAOYSA-N 1 2 245.286 0.760 20 0 BCADLO CNC(=O)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000269686654 173272242 /nfs/dbraw/zinc/27/22/42/173272242.db2.gz VHSKUEURPZCAKN-SNVBAGLBSA-N 1 2 249.314 0.281 20 0 BCADLO CNC(=O)C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000269686654 173272244 /nfs/dbraw/zinc/27/22/44/173272244.db2.gz VHSKUEURPZCAKN-SNVBAGLBSA-N 1 2 249.314 0.281 20 0 BCADLO CNC(=O)C[N@H+](CCOC)Cc1ccccn1 ZINC000298245648 173273067 /nfs/dbraw/zinc/27/30/67/173273067.db2.gz JQCJEZGAPSYUEG-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CNC(=O)C[N@@H+](CCOC)Cc1ccccn1 ZINC000298245648 173273068 /nfs/dbraw/zinc/27/30/68/173273068.db2.gz JQCJEZGAPSYUEG-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CNC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289123846 173273220 /nfs/dbraw/zinc/27/32/20/173273220.db2.gz XGCFYZYXISQSBS-UHFFFAOYSA-N 1 2 248.282 0.606 20 0 BCADLO CNC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289123846 173273221 /nfs/dbraw/zinc/27/32/21/173273221.db2.gz XGCFYZYXISQSBS-UHFFFAOYSA-N 1 2 248.282 0.606 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091890781 173274426 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BCADLO COCC[N@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000337121264 174301390 /nfs/dbraw/zinc/30/13/90/174301390.db2.gz AAMAEJZBDJKMOV-UHFFFAOYSA-N 1 2 240.307 0.746 20 0 BCADLO COCC[N@@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000337121264 174301391 /nfs/dbraw/zinc/30/13/91/174301391.db2.gz AAMAEJZBDJKMOV-UHFFFAOYSA-N 1 2 240.307 0.746 20 0 BCADLO COCC[N@H+](Cc1nnc(C)o1)[C@@H]1CCOC1 ZINC000330797977 174301854 /nfs/dbraw/zinc/30/18/54/174301854.db2.gz BFEHSENSENODGG-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCC[N@@H+](Cc1nnc(C)o1)[C@@H]1CCOC1 ZINC000330797977 174301855 /nfs/dbraw/zinc/30/18/55/174301855.db2.gz BFEHSENSENODGG-SNVBAGLBSA-N 1 2 241.291 0.615 20 0 BCADLO COCC[N@H+](Cc1ncnn1C)C1CC1 ZINC000336651182 174302390 /nfs/dbraw/zinc/30/23/90/174302390.db2.gz UQJNHFDPSOHRMA-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC[N@@H+](Cc1ncnn1C)C1CC1 ZINC000336651182 174302392 /nfs/dbraw/zinc/30/23/92/174302392.db2.gz UQJNHFDPSOHRMA-UHFFFAOYSA-N 1 2 210.281 0.426 20 0 BCADLO COCC[NH+]1CCN(c2nnc(C)s2)CC1 ZINC000301332858 174309342 /nfs/dbraw/zinc/30/93/42/174309342.db2.gz BRVFMSKSYGYMTA-UHFFFAOYSA-N 1 2 242.348 0.615 20 0 BCADLO COCCN1CC[N@H+](Cc2ccccc2)CC1=O ZINC000091813423 174309849 /nfs/dbraw/zinc/30/98/49/174309849.db2.gz NIOKWTRVTXDZRZ-UHFFFAOYSA-N 1 2 248.326 0.977 20 0 BCADLO COCCN1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000091813423 174309850 /nfs/dbraw/zinc/30/98/50/174309850.db2.gz NIOKWTRVTXDZRZ-UHFFFAOYSA-N 1 2 248.326 0.977 20 0 BCADLO COCC[N@@H+]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000336674739 174311848 /nfs/dbraw/zinc/31/18/48/174311848.db2.gz AYOCVTICPPXPOZ-SECBINFHSA-N 1 2 242.348 0.401 20 0 BCADLO COCC[N@H+]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000336674739 174311850 /nfs/dbraw/zinc/31/18/50/174311850.db2.gz AYOCVTICPPXPOZ-SECBINFHSA-N 1 2 242.348 0.401 20 0 BCADLO COCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000370343639 174315741 /nfs/dbraw/zinc/31/57/41/174315741.db2.gz PVFBPNWOESCRMR-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000370343639 174315743 /nfs/dbraw/zinc/31/57/43/174315743.db2.gz PVFBPNWOESCRMR-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000372971547 174319547 /nfs/dbraw/zinc/31/95/47/174319547.db2.gz CJQGURXMUIKQOI-UHFFFAOYSA-N 1 2 242.319 0.004 20 0 BCADLO COCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134743268 174322240 /nfs/dbraw/zinc/32/22/40/174322240.db2.gz PXPGLZSRMRKCSE-UHFFFAOYSA-N 1 2 240.307 0.561 20 0 BCADLO COCCOCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000221858844 174346976 /nfs/dbraw/zinc/34/69/76/174346976.db2.gz NNEPVNOYZJSYDA-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO COCCOCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000352448591 174355507 /nfs/dbraw/zinc/35/55/07/174355507.db2.gz IHRNRLGWVISGTK-USBNGQNGSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000352448591 174355508 /nfs/dbraw/zinc/35/55/08/174355508.db2.gz IHRNRLGWVISGTK-USBNGQNGSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000358812681 174363039 /nfs/dbraw/zinc/36/30/39/174363039.db2.gz LGBWSPQATNNEHS-GXSJLCMTSA-N 1 2 245.319 0.579 20 0 BCADLO COCCOC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000358812684 174363375 /nfs/dbraw/zinc/36/33/75/174363375.db2.gz LGBWSPQATNNEHS-ONGXEEELSA-N 1 2 245.319 0.579 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000332626053 174365373 /nfs/dbraw/zinc/36/53/73/174365373.db2.gz HFNAGTWGGQNJOU-SNVBAGLBSA-N 1 2 240.307 0.052 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000332626053 174365376 /nfs/dbraw/zinc/36/53/76/174365376.db2.gz HFNAGTWGGQNJOU-SNVBAGLBSA-N 1 2 240.307 0.052 20 0 BCADLO COCC[C@@H](COC)[NH2+]Cc1cn[nH]c1C ZINC000309423383 174390966 /nfs/dbraw/zinc/39/09/66/174390966.db2.gz YGWIVOJTPJFVCC-NSHDSACASA-N 1 2 227.308 0.859 20 0 BCADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000365838353 174398845 /nfs/dbraw/zinc/39/88/45/174398845.db2.gz POHACUCRAOLAQS-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO COCC[C@@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000365838353 174398847 /nfs/dbraw/zinc/39/88/47/174398847.db2.gz POHACUCRAOLAQS-LLVKDONJSA-N 1 2 242.319 0.002 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000290702117 174710692 /nfs/dbraw/zinc/71/06/92/174710692.db2.gz SJMUNFAENNNBCR-ZJUUUORDSA-N 1 2 240.307 0.606 20 0 BCADLO CO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000330386027 174804319 /nfs/dbraw/zinc/80/43/19/174804319.db2.gz ALFDOPSSWGTLQG-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)nc1 ZINC000371474214 175099597 /nfs/dbraw/zinc/09/95/97/175099597.db2.gz XLRITISRCOVWCR-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)nc1 ZINC000371474214 175099598 /nfs/dbraw/zinc/09/95/98/175099598.db2.gz XLRITISRCOVWCR-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc([NH2+]CCC(N)=O)c(OC)c1 ZINC000036924338 175150512 /nfs/dbraw/zinc/15/05/12/175150512.db2.gz HSBFEIVYFLYMIT-UHFFFAOYSA-N 1 2 224.260 0.991 20 0 BCADLO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000265637119 175255598 /nfs/dbraw/zinc/25/55/98/175255598.db2.gz IIUNYXXACDXFQQ-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000265637119 175255599 /nfs/dbraw/zinc/25/55/99/175255599.db2.gz IIUNYXXACDXFQQ-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cccc(C[N@@H+]2CCOC[C@@H](O)C2)n1 ZINC000294909188 175257976 /nfs/dbraw/zinc/25/79/76/175257976.db2.gz XXEUMKOIYHZLSU-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO COc1cccc(C[N@H+]2CCOC[C@@H](O)C2)n1 ZINC000294909188 175257978 /nfs/dbraw/zinc/25/79/78/175257978.db2.gz XXEUMKOIYHZLSU-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC000074448404 175301060 /nfs/dbraw/zinc/30/10/60/175301060.db2.gz FNCLFTMWULQLHW-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC000074448404 175301061 /nfs/dbraw/zinc/30/10/61/175301061.db2.gz FNCLFTMWULQLHW-VIFPVBQESA-N 1 2 234.299 0.927 20 0 BCADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nc(=O)[nH][nH]1 ZINC000271732768 175344557 /nfs/dbraw/zinc/34/45/57/175344557.db2.gz UMKDGQILQIHYTB-MRVPVSSYSA-N 1 2 248.286 0.957 20 0 BCADLO COc1ccnc(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000309862945 175359750 /nfs/dbraw/zinc/35/97/50/175359750.db2.gz NLODGIYXDRVAKL-UHFFFAOYSA-N 1 2 221.260 0.198 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)OC ZINC000294628262 175371764 /nfs/dbraw/zinc/37/17/64/175371764.db2.gz PEWLJLQTKGHIDR-QMMMGPOBSA-N 1 2 224.260 0.741 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCCO1 ZINC000293452742 175372446 /nfs/dbraw/zinc/37/24/46/175372446.db2.gz UYLDCBMYBRVVCP-NSHDSACASA-N 1 2 236.271 0.885 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H](C)NC(N)=O ZINC000185778885 175375242 /nfs/dbraw/zinc/37/52/42/175375242.db2.gz MIWYFZRHEQCEAO-LURJTMIESA-N 1 2 238.247 0.086 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1cnnn1C ZINC000361042591 175376312 /nfs/dbraw/zinc/37/63/12/175376312.db2.gz AMZFNZRURZBAMM-UHFFFAOYSA-N 1 2 233.231 0.471 20 0 BCADLO CS(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000098113856 175430428 /nfs/dbraw/zinc/43/04/28/175430428.db2.gz KRERRUIDSPKFAN-UHFFFAOYSA-N 1 2 229.305 0.269 20 0 BCADLO CSCC[N@H+](C)Cc1nnnn1C1CC1 ZINC000336643759 175493044 /nfs/dbraw/zinc/49/30/44/175493044.db2.gz DOGDLQRQEYAJSO-UHFFFAOYSA-N 1 2 227.337 0.803 20 0 BCADLO CSCC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000336643759 175493045 /nfs/dbraw/zinc/49/30/45/175493045.db2.gz DOGDLQRQEYAJSO-UHFFFAOYSA-N 1 2 227.337 0.803 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122773155 176028345 /nfs/dbraw/zinc/02/83/45/176028345.db2.gz PZRYRDXTDYCRKN-SCVCMEIPSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122773155 176028346 /nfs/dbraw/zinc/02/83/46/176028346.db2.gz PZRYRDXTDYCRKN-SCVCMEIPSA-N 1 2 249.314 0.717 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341294266 176037276 /nfs/dbraw/zinc/03/72/76/176037276.db2.gz KAWJYLPMVVMIIZ-QWRGUYRKSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341294266 176037277 /nfs/dbraw/zinc/03/72/77/176037277.db2.gz KAWJYLPMVVMIIZ-QWRGUYRKSA-N 1 2 246.314 0.844 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000123508106 176046001 /nfs/dbraw/zinc/04/60/01/176046001.db2.gz KEUAUEOHNHHSGI-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000123508106 176046004 /nfs/dbraw/zinc/04/60/04/176046004.db2.gz KEUAUEOHNHHSGI-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000290284295 176046491 /nfs/dbraw/zinc/04/64/91/176046491.db2.gz MJPYLQXMWPZDTE-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000290284295 176046493 /nfs/dbraw/zinc/04/64/93/176046493.db2.gz MJPYLQXMWPZDTE-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1C(=O)NCCN1Cc1cccc2[nH+]ccn21 ZINC000179920719 176046910 /nfs/dbraw/zinc/04/69/10/176046910.db2.gz RECJLWDJRLFOFY-SNVBAGLBSA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1C ZINC000188669798 176162190 /nfs/dbraw/zinc/16/21/90/176162190.db2.gz DMCCPVKSUUHYJX-RKDXNWHRSA-N 1 2 248.330 0.926 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331854791 176174283 /nfs/dbraw/zinc/17/42/83/176174283.db2.gz PGEYWUKAURIXLC-SECBINFHSA-N 1 2 232.287 0.864 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331854791 176174285 /nfs/dbraw/zinc/17/42/85/176174285.db2.gz PGEYWUKAURIXLC-SECBINFHSA-N 1 2 232.287 0.864 20 0 BCADLO C[C@@H]1CCN(Cc2[nH]cc[nH+]2)CCS1(=O)=O ZINC000331599845 176178991 /nfs/dbraw/zinc/17/89/91/176178991.db2.gz BFMXYINGIDIEPD-SECBINFHSA-N 1 2 243.332 0.419 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)C[C@@H]1C ZINC000194450279 176179216 /nfs/dbraw/zinc/17/92/16/176179216.db2.gz RDWMJJHTIISOAS-BDAKNGLRSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@@H]1C ZINC000194450279 176179217 /nfs/dbraw/zinc/17/92/17/176179217.db2.gz RDWMJJHTIISOAS-BDAKNGLRSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1Cc1ncnn1C ZINC000362232793 176189912 /nfs/dbraw/zinc/18/99/12/176189912.db2.gz CXLGFJILYYBWDJ-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1ncnn1C ZINC000362232793 176189914 /nfs/dbraw/zinc/18/99/14/176189914.db2.gz CXLGFJILYYBWDJ-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370708839 176191632 /nfs/dbraw/zinc/19/16/32/176191632.db2.gz PQJFUJNAJCLHCP-SKDRFNHKSA-N 1 2 249.314 0.730 20 0 BCADLO C[C@@H]1CCO[C@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370708836 176193508 /nfs/dbraw/zinc/19/35/08/176193508.db2.gz PQJFUJNAJCLHCP-BXKDBHETSA-N 1 2 249.314 0.730 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299629694 176245935 /nfs/dbraw/zinc/24/59/35/176245935.db2.gz KDRHYZYZJDBOQT-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000351857820 176246037 /nfs/dbraw/zinc/24/60/37/176246037.db2.gz UYAKURNWCGICIY-ZJUUUORDSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[S@]1=O ZINC000339004033 176298047 /nfs/dbraw/zinc/29/80/47/176298047.db2.gz PRMYRQNSEILFER-ISTVAULSSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[S@]1=O ZINC000339004033 176298049 /nfs/dbraw/zinc/29/80/49/176298049.db2.gz PRMYRQNSEILFER-ISTVAULSSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319897 176298604 /nfs/dbraw/zinc/29/86/04/176298604.db2.gz TYUZAMAWFIRMMX-BXUZGUMPSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CC(=O)N1 ZINC000296319897 176298606 /nfs/dbraw/zinc/29/86/06/176298606.db2.gz TYUZAMAWFIRMMX-BXUZGUMPSA-N 1 2 248.326 0.714 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000052716744 176308437 /nfs/dbraw/zinc/30/84/37/176308437.db2.gz FIWSACPTONVASZ-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000052716744 176308439 /nfs/dbraw/zinc/30/84/39/176308439.db2.gz FIWSACPTONVASZ-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CCCO1 ZINC000336698821 176308516 /nfs/dbraw/zinc/30/85/16/176308516.db2.gz UGYIQLAUPWFQCI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CCCO1 ZINC000336698821 176308517 /nfs/dbraw/zinc/30/85/17/176308517.db2.gz UGYIQLAUPWFQCI-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCS(=O)(=O)C1 ZINC000361323334 176310404 /nfs/dbraw/zinc/31/04/04/176310404.db2.gz CLKGHOLNORPVQU-SECBINFHSA-N 1 2 243.332 0.276 20 0 BCADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)CCS(=O)(=O)C1 ZINC000361323334 176310405 /nfs/dbraw/zinc/31/04/05/176310405.db2.gz CLKGHOLNORPVQU-SECBINFHSA-N 1 2 243.332 0.276 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@@]2(CCOC2)O1 ZINC000280284594 176310752 /nfs/dbraw/zinc/31/07/52/176310752.db2.gz NSAQMESZNIXFHK-DGCLKSJQSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@@]2(CCOC2)O1 ZINC000280284594 176310754 /nfs/dbraw/zinc/31/07/54/176310754.db2.gz NSAQMESZNIXFHK-DGCLKSJQSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@H](C(N)=O)O1 ZINC000092005969 176311108 /nfs/dbraw/zinc/31/11/08/176311108.db2.gz RMOBNKFXWCTYQG-VXNVDRBHSA-N 1 2 241.316 0.218 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H](C(N)=O)O1 ZINC000092005969 176311110 /nfs/dbraw/zinc/31/11/10/176311110.db2.gz RMOBNKFXWCTYQG-VXNVDRBHSA-N 1 2 241.316 0.218 20 0 BCADLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000351822363 176312895 /nfs/dbraw/zinc/31/28/95/176312895.db2.gz WNYYGXOJHWIBNP-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000351822363 176312896 /nfs/dbraw/zinc/31/28/96/176312896.db2.gz WNYYGXOJHWIBNP-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000351822366 176313594 /nfs/dbraw/zinc/31/35/94/176313594.db2.gz WNYYGXOJHWIBNP-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000351822366 176313596 /nfs/dbraw/zinc/31/35/96/176313596.db2.gz WNYYGXOJHWIBNP-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000011166947 176314830 /nfs/dbraw/zinc/31/48/30/176314830.db2.gz QGKVADAYTYQMRT-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CCO1 ZINC000011166947 176314831 /nfs/dbraw/zinc/31/48/31/176314831.db2.gz QGKVADAYTYQMRT-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366587117 176316645 /nfs/dbraw/zinc/31/66/45/176316645.db2.gz IHZWKUVUJMXCPT-CKYFFXLPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366587117 176316646 /nfs/dbraw/zinc/31/66/46/176316646.db2.gz IHZWKUVUJMXCPT-CKYFFXLPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000361869032 176318168 /nfs/dbraw/zinc/31/81/68/176318168.db2.gz QPBBLGPTSRUEHA-NQMVMOMDSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000361869032 176318169 /nfs/dbraw/zinc/31/81/69/176318169.db2.gz QPBBLGPTSRUEHA-NQMVMOMDSA-N 1 2 237.307 0.382 20 0 BCADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(=O)N1 ZINC000295633030 176321136 /nfs/dbraw/zinc/32/11/36/176321136.db2.gz BKPFMYCBQQOEQN-MRVPVSSYSA-N 1 2 230.271 0.888 20 0 BCADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000308867432 176321601 /nfs/dbraw/zinc/32/16/01/176321601.db2.gz XLFGOLPUVIAWII-RITPCOANSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000308867432 176321603 /nfs/dbraw/zinc/32/16/03/176321603.db2.gz XLFGOLPUVIAWII-RITPCOANSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCCO1 ZINC000171047352 176321984 /nfs/dbraw/zinc/32/19/84/176321984.db2.gz JUYXZUNTEFKSRV-SECBINFHSA-N 1 2 247.302 0.979 20 0 BCADLO C[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000277841240 176333978 /nfs/dbraw/zinc/33/39/78/176333978.db2.gz ZNPXALLYCOAQEZ-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341833013 176337333 /nfs/dbraw/zinc/33/73/33/176337333.db2.gz CWBYHRKOFSYVMM-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341833013 176337334 /nfs/dbraw/zinc/33/73/34/176337334.db2.gz CWBYHRKOFSYVMM-GHMZBOCLSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000091810501 176337363 /nfs/dbraw/zinc/33/73/63/176337363.db2.gz KGUFEMARJFVGHJ-SECBINFHSA-N 1 2 211.261 0.993 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC000091810501 176337364 /nfs/dbraw/zinc/33/73/64/176337364.db2.gz KGUFEMARJFVGHJ-SECBINFHSA-N 1 2 211.261 0.993 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282743484 176339430 /nfs/dbraw/zinc/33/94/30/176339430.db2.gz JLSZNQAUHSXLQU-GZWSGWKISA-N 1 2 235.287 0.964 20 0 BCADLO C[C@@H]1COCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000328639155 176344891 /nfs/dbraw/zinc/34/48/91/176344891.db2.gz DORMAJVVPXWOJO-RNFRBKRXSA-N 1 2 212.253 0.025 20 0 BCADLO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cscn1 ZINC000348187248 176349323 /nfs/dbraw/zinc/34/93/23/176349323.db2.gz POSXSQPCDDHAHP-VXNVDRBHSA-N 1 2 246.357 0.666 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nccs1 ZINC000340920779 176381602 /nfs/dbraw/zinc/38/16/02/176381602.db2.gz DVZBIWYRWBBVRH-HTQZYQBOSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nccs1 ZINC000340920779 176381604 /nfs/dbraw/zinc/38/16/04/176381604.db2.gz DVZBIWYRWBBVRH-HTQZYQBOSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944398 176431479 /nfs/dbraw/zinc/43/14/79/176431479.db2.gz ZUGPJKCIEMRPLU-GRYCIOLGSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000178004984 176543314 /nfs/dbraw/zinc/54/33/14/176543314.db2.gz JTMZSQOCMKJMJF-SNVBAGLBSA-N 1 2 241.316 0.538 20 0 BCADLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000178004984 176543315 /nfs/dbraw/zinc/54/33/15/176543315.db2.gz JTMZSQOCMKJMJF-SNVBAGLBSA-N 1 2 241.316 0.538 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000049474830 176602374 /nfs/dbraw/zinc/60/23/74/176602374.db2.gz CZQWUJMLWTVFBZ-SECBINFHSA-N 1 2 211.265 0.726 20 0 BCADLO C[C@H](CO)Nc1cc(N[C@H](C)CO)[nH+]cn1 ZINC000157741662 176707666 /nfs/dbraw/zinc/70/76/66/176707666.db2.gz JQHGGBDLRNPZDL-HTQZYQBOSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@H](O)CCN(C)c1[nH+]cnc2c1cnn2C ZINC000135260043 176960377 /nfs/dbraw/zinc/96/03/77/176960377.db2.gz XCSVLGRQCOPWQW-QMMMGPOBSA-N 1 2 235.291 0.570 20 0 BCADLO C[C@H](c1cccnc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000107676676 177046401 /nfs/dbraw/zinc/04/64/01/177046401.db2.gz XSDSMZQQGLUWKN-LLVKDONJSA-N 1 2 248.330 0.246 20 0 BCADLO C[C@H](c1cnccn1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668301 177051825 /nfs/dbraw/zinc/05/18/25/177051825.db2.gz QYRLFVXNSUBZAS-KOLCDFICSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668301 177051826 /nfs/dbraw/zinc/05/18/26/177051826.db2.gz QYRLFVXNSUBZAS-KOLCDFICSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)C1CC(O)C1 ZINC000330156098 177055894 /nfs/dbraw/zinc/05/58/94/177055894.db2.gz ONDFFNFSCKKLEB-CUUXFQNZSA-N 1 2 237.307 0.524 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)C1CC(O)C1 ZINC000330156098 177055895 /nfs/dbraw/zinc/05/58/95/177055895.db2.gz ONDFFNFSCKKLEB-CUUXFQNZSA-N 1 2 237.307 0.524 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1CCOCC(F)F ZINC000365089165 177058735 /nfs/dbraw/zinc/05/87/35/177058735.db2.gz PANKEXQFMFZTEK-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1CCOCC(F)F ZINC000365089165 177058737 /nfs/dbraw/zinc/05/87/37/177058737.db2.gz PANKEXQFMFZTEK-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000366181188 177059755 /nfs/dbraw/zinc/05/97/55/177059755.db2.gz XBSYBMULSIJHHL-JQWIXIFHSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000366181188 177059756 /nfs/dbraw/zinc/05/97/56/177059756.db2.gz XBSYBMULSIJHHL-JQWIXIFHSA-N 1 2 246.310 0.810 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)nc1 ZINC000377890157 177063076 /nfs/dbraw/zinc/06/30/76/177063076.db2.gz SHFVYYMHDSPQJS-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)nc1 ZINC000377890157 177063077 /nfs/dbraw/zinc/06/30/77/177063077.db2.gz SHFVYYMHDSPQJS-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1nccs1 ZINC000363150335 177063231 /nfs/dbraw/zinc/06/32/31/177063231.db2.gz OWZCXANXVRFNPN-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1nccs1 ZINC000363150335 177063232 /nfs/dbraw/zinc/06/32/32/177063232.db2.gz OWZCXANXVRFNPN-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1CCCCC[N@@H+]1Cc1nnn(C)n1 ZINC000336692852 177070536 /nfs/dbraw/zinc/07/05/36/177070536.db2.gz AKDVYIDXTLCWFJ-VIFPVBQESA-N 1 2 209.297 0.975 20 0 BCADLO C[C@H]1CCCCC[N@H+]1Cc1nnn(C)n1 ZINC000336692852 177070538 /nfs/dbraw/zinc/07/05/38/177070538.db2.gz AKDVYIDXTLCWFJ-VIFPVBQESA-N 1 2 209.297 0.975 20 0 BCADLO C[C@H](C(=O)N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000336486155 177093956 /nfs/dbraw/zinc/09/39/56/177093956.db2.gz LTDVHEBZHMIJTI-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194438335 177104343 /nfs/dbraw/zinc/10/43/43/177104343.db2.gz VJBLLGPCHLBMMG-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nnn(C)n1 ZINC000194438335 177104344 /nfs/dbraw/zinc/10/43/44/177104344.db2.gz VJBLLGPCHLBMMG-DTWKUNHWSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1CO ZINC000189716888 177172790 /nfs/dbraw/zinc/17/27/90/177172790.db2.gz WNGKLLKZHXRLBP-WCBMZHEXSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@@H]1CO ZINC000235635753 177172908 /nfs/dbraw/zinc/17/29/08/177172908.db2.gz HIAKLHORQVXEFQ-NKWVEPMBSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CCO[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378109424 177179463 /nfs/dbraw/zinc/17/94/63/177179463.db2.gz IYDZGWJHADPRFQ-GXSJLCMTSA-N 1 2 235.287 0.650 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000121870915 177197316 /nfs/dbraw/zinc/19/73/16/177197316.db2.gz BNDUSNAWRFZSJT-WDEREUQCSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1CC[C@H]([N@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811173 177203524 /nfs/dbraw/zinc/20/35/24/177203524.db2.gz CPVRCRQREFKYCS-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811173 177203525 /nfs/dbraw/zinc/20/35/25/177203525.db2.gz CPVRCRQREFKYCS-UWVGGRQHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000299656364 177215830 /nfs/dbraw/zinc/21/58/30/177215830.db2.gz OGYPGKVYANCSIB-PHIMTYICSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@H]1C ZINC000297953665 177220536 /nfs/dbraw/zinc/22/05/36/177220536.db2.gz WFMNRSDKCYZQHL-UWVGGRQHSA-N 1 2 222.292 0.933 20 0 BCADLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000264083356 177220790 /nfs/dbraw/zinc/22/07/90/177220790.db2.gz DAKNOUXWNDZHDI-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1CC1 ZINC000045784280 177244099 /nfs/dbraw/zinc/24/40/99/177244099.db2.gz PLLHPAKUUAKEFX-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1CC1 ZINC000045784280 177244100 /nfs/dbraw/zinc/24/41/00/177244100.db2.gz PLLHPAKUUAKEFX-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1C[N@H+](CCCCO)CC[S@]1=O ZINC000336649657 177248274 /nfs/dbraw/zinc/24/82/74/177248274.db2.gz HISOTOIQUMUTCA-TVQRCGJNSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@H]1C[N@@H+](CCCCO)CC[S@]1=O ZINC000336649657 177248275 /nfs/dbraw/zinc/24/82/75/177248275.db2.gz HISOTOIQUMUTCA-TVQRCGJNSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H](C)N1C ZINC000336893493 177249523 /nfs/dbraw/zinc/24/95/23/177249523.db2.gz UTKCOSCMCDTXPN-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H](C)N1C ZINC000336893493 177249524 /nfs/dbraw/zinc/24/95/24/177249524.db2.gz UTKCOSCMCDTXPN-PHIMTYICSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000103138492 177249763 /nfs/dbraw/zinc/24/97/63/177249763.db2.gz ZRKWQFMBRRDTGX-AOOOYVTPSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000103138492 177249764 /nfs/dbraw/zinc/24/97/64/177249764.db2.gz ZRKWQFMBRRDTGX-AOOOYVTPSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)C2)CCC1=O ZINC000338573281 177250689 /nfs/dbraw/zinc/25/06/89/177250689.db2.gz UJTURXWJYVJJNH-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)C2)CCC1=O ZINC000338573281 177250691 /nfs/dbraw/zinc/25/06/91/177250691.db2.gz UJTURXWJYVJJNH-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CCC1=O ZINC000338573281 177250692 /nfs/dbraw/zinc/25/06/92/177250692.db2.gz UJTURXWJYVJJNH-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CCC1=O ZINC000338573281 177250695 /nfs/dbraw/zinc/25/06/95/177250695.db2.gz UJTURXWJYVJJNH-NEPJUHHUSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CCC(=O)[C@@H](C)C1 ZINC000338572732 177250818 /nfs/dbraw/zinc/25/08/18/177250818.db2.gz QDIZMONHTGLOFN-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1COCCN1CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000338572732 177250810 /nfs/dbraw/zinc/25/08/10/177250810.db2.gz QDIZMONHTGLOFN-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1COCCN1CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000338572732 177250812 /nfs/dbraw/zinc/25/08/12/177250812.db2.gz QDIZMONHTGLOFN-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CCC(=O)[C@@H](C)C1 ZINC000338572732 177250814 /nfs/dbraw/zinc/25/08/14/177250814.db2.gz QDIZMONHTGLOFN-NWDGAFQWSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCOC[C@@H]2C)CCC1=O ZINC000338572733 177251230 /nfs/dbraw/zinc/25/12/30/177251230.db2.gz QDIZMONHTGLOFN-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CCC1=O ZINC000338572733 177251232 /nfs/dbraw/zinc/25/12/32/177251232.db2.gz QDIZMONHTGLOFN-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CCC1=O ZINC000338572733 177251234 /nfs/dbraw/zinc/25/12/34/177251234.db2.gz QDIZMONHTGLOFN-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CCC1=O ZINC000338572733 177251236 /nfs/dbraw/zinc/25/12/36/177251236.db2.gz QDIZMONHTGLOFN-RYUDHWBXSA-N 1 2 240.347 0.618 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000191776437 177268307 /nfs/dbraw/zinc/26/83/07/177268307.db2.gz GAGGDAICHVAMEL-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000191776437 177268309 /nfs/dbraw/zinc/26/83/09/177268309.db2.gz GAGGDAICHVAMEL-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000367659083 177269362 /nfs/dbraw/zinc/26/93/62/177269362.db2.gz SFYNTWQPJKATMO-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000367659083 177269364 /nfs/dbraw/zinc/26/93/64/177269364.db2.gz SFYNTWQPJKATMO-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000339580808 177270818 /nfs/dbraw/zinc/27/08/18/177270818.db2.gz HGNNGMCQHFFMGH-JGVFFNPUSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000339580808 177270819 /nfs/dbraw/zinc/27/08/19/177270819.db2.gz HGNNGMCQHFFMGH-JGVFFNPUSA-N 1 2 210.281 0.976 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC[S@@]1=O ZINC000353803301 177271677 /nfs/dbraw/zinc/27/16/77/177271677.db2.gz JWASYOJCVBFFIG-VFZGTOFNSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CCS1(=O)=O ZINC000328682008 177272102 /nfs/dbraw/zinc/27/21/02/177272102.db2.gz VKFHDQRUUWUFEE-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC(=O)N1C ZINC000282365125 177272345 /nfs/dbraw/zinc/27/23/45/177272345.db2.gz WIJARIHCKBSMRI-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)s2)CCCO1 ZINC000367446390 177272530 /nfs/dbraw/zinc/27/25/30/177272530.db2.gz DRGUHIMTHRGKMA-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)s2)CCCO1 ZINC000367446390 177272532 /nfs/dbraw/zinc/27/25/32/177272532.db2.gz DRGUHIMTHRGKMA-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1C[N@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367446390 177272533 /nfs/dbraw/zinc/27/25/33/177272533.db2.gz DRGUHIMTHRGKMA-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1C[N@@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367446390 177272534 /nfs/dbraw/zinc/27/25/34/177272534.db2.gz DRGUHIMTHRGKMA-ZETCQYMHSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)CC(=O)N1 ZINC000295802733 177278434 /nfs/dbraw/zinc/27/84/34/177278434.db2.gz SNRUDQSSBJQNIU-VIFPVBQESA-N 1 2 244.298 0.898 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000308867433 177279386 /nfs/dbraw/zinc/27/93/86/177279386.db2.gz XLFGOLPUVIAWII-WDSKDSINSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000308867433 177279388 /nfs/dbraw/zinc/27/93/88/177279388.db2.gz XLFGOLPUVIAWII-WDSKDSINSA-N 1 2 228.683 0.529 20 0 BCADLO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1n[nH]c(=O)[nH]1 ZINC000329207662 177279650 /nfs/dbraw/zinc/27/96/50/177279650.db2.gz BKKJYXQVXMSZSK-IUCAKERBSA-N 1 2 237.307 0.179 20 0 BCADLO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1n[nH]c(=O)[nH]1 ZINC000329207662 177279652 /nfs/dbraw/zinc/27/96/52/177279652.db2.gz BKKJYXQVXMSZSK-IUCAKERBSA-N 1 2 237.307 0.179 20 0 BCADLO C[C@H]1COCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000378259625 177289547 /nfs/dbraw/zinc/28/95/47/177289547.db2.gz NAWCFISYKJUZIR-SECBINFHSA-N 1 2 247.302 0.836 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN(C)Cc1ccon1 ZINC000337174847 177291544 /nfs/dbraw/zinc/29/15/44/177291544.db2.gz ICDKHIFROZMHAP-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN(C)Cc1ccon1 ZINC000337174847 177291543 /nfs/dbraw/zinc/29/15/43/177291543.db2.gz ICDKHIFROZMHAP-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1COCCN1CC[N@H+](C)Cc1ccon1 ZINC000337174847 177291546 /nfs/dbraw/zinc/29/15/46/177291546.db2.gz ICDKHIFROZMHAP-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1COCCN1CC[N@@H+](C)Cc1ccon1 ZINC000337174847 177291548 /nfs/dbraw/zinc/29/15/48/177291548.db2.gz ICDKHIFROZMHAP-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1CC1 ZINC000355075905 177291629 /nfs/dbraw/zinc/29/16/29/177291629.db2.gz BWNQHRZKLHSXFJ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1CC1 ZINC000355075905 177291632 /nfs/dbraw/zinc/29/16/32/177291632.db2.gz BWNQHRZKLHSXFJ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000091810503 177292474 /nfs/dbraw/zinc/29/24/74/177292474.db2.gz KGUFEMARJFVGHJ-VIFPVBQESA-N 1 2 211.261 0.993 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC000091810503 177292476 /nfs/dbraw/zinc/29/24/76/177292476.db2.gz KGUFEMARJFVGHJ-VIFPVBQESA-N 1 2 211.261 0.993 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC1(C)C ZINC000337354650 177292703 /nfs/dbraw/zinc/29/27/03/177292703.db2.gz BOLOSLVYIPIFLG-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC1(C)C ZINC000337354650 177292705 /nfs/dbraw/zinc/29/27/05/177292705.db2.gz BOLOSLVYIPIFLG-WDEREUQCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC1(C)C ZINC000337354649 177292869 /nfs/dbraw/zinc/29/28/69/177292869.db2.gz BOLOSLVYIPIFLG-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC1(C)C ZINC000337354649 177292871 /nfs/dbraw/zinc/29/28/71/177292871.db2.gz BOLOSLVYIPIFLG-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccon1 ZINC000330628318 177292924 /nfs/dbraw/zinc/29/29/24/177292924.db2.gz YWJWEBSSZUADAG-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccon1 ZINC000330628318 177292925 /nfs/dbraw/zinc/29/29/25/177292925.db2.gz YWJWEBSSZUADAG-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nc(=O)[nH][nH]1 ZINC000271648247 177305190 /nfs/dbraw/zinc/30/51/90/177305190.db2.gz UILXWCDFKVFEBR-LURJTMIESA-N 1 2 214.294 0.035 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nc(=O)[nH][nH]1 ZINC000271648247 177305191 /nfs/dbraw/zinc/30/51/91/177305191.db2.gz UILXWCDFKVFEBR-LURJTMIESA-N 1 2 214.294 0.035 20 0 BCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccn1 ZINC000286195994 177328654 /nfs/dbraw/zinc/32/86/54/177328654.db2.gz BJWIPYCZQFGDJM-NWDGAFQWSA-N 1 2 248.330 0.776 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C[C@@H]1C ZINC000352773329 177342472 /nfs/dbraw/zinc/34/24/72/177342472.db2.gz AZVGZCHKWMQTBP-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000076048570 177346934 /nfs/dbraw/zinc/34/69/34/177346934.db2.gz UPYLEFHPUJBCJS-UWVGGRQHSA-N 1 2 222.292 0.981 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)CO1 ZINC000332329281 177354056 /nfs/dbraw/zinc/35/40/56/177354056.db2.gz PKFIGJOLHJDDCF-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000367900216 177376389 /nfs/dbraw/zinc/37/63/89/177376389.db2.gz VMKNQPMJINBULT-WCBMZHEXSA-N 1 2 205.261 0.881 20 0 BCADLO C[C@H]1NC(=O)N(C[C@@H]2CCCn3cc[nH+]c32)C1=O ZINC000329487964 177392138 /nfs/dbraw/zinc/39/21/38/177392138.db2.gz UGUIFUMFCBFWKY-BDAKNGLRSA-N 1 2 248.286 0.905 20 0 BCADLO C[C@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000272126334 177393776 /nfs/dbraw/zinc/39/37/76/177393776.db2.gz KBSMWRSXYIDSGZ-MRVPVSSYSA-N 1 2 244.254 0.775 20 0 BCADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCC=C(F)C2)C1=O ZINC000333654810 177394210 /nfs/dbraw/zinc/39/42/10/177394210.db2.gz VKRSCYORIHIBRH-MRVPVSSYSA-N 1 2 241.266 0.486 20 0 BCADLO C[C@H]1NC(=O)N(CC[N@H+]2CCC=C(F)C2)C1=O ZINC000333654810 177394211 /nfs/dbraw/zinc/39/42/11/177394211.db2.gz VKRSCYORIHIBRH-MRVPVSSYSA-N 1 2 241.266 0.486 20 0 BCADLO C[C@H]1OCCN(CCn2cc[nH+]c2)[C@@H]1C(N)=O ZINC000330576759 177398519 /nfs/dbraw/zinc/39/85/19/177398519.db2.gz RGEWHCCYWQXFEE-ZJUUUORDSA-N 1 2 238.291 0.508 20 0 BCADLO C[C@H]1OCCN2[C@@H](c3c[nH]c[nH+]3)NC(=O)[C@H]12 ZINC000329018701 177399762 /nfs/dbraw/zinc/39/97/62/177399762.db2.gz RRDUDIXWXYUGPJ-YEPSODPASA-N 1 2 222.248 0.468 20 0 BCADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccccc1O ZINC000262372737 177399880 /nfs/dbraw/zinc/39/98/80/177399880.db2.gz WIXJXLBPYIOXMD-KCJUWKMLSA-N 1 2 236.271 0.708 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCOC1 ZINC000087313601 487638055 /nfs/dbraw/zinc/63/80/55/487638055.db2.gz NFOIROBBPXOIOY-MRVPVSSYSA-N 1 2 224.264 0.340 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000278584579 177527104 /nfs/dbraw/zinc/52/71/04/177527104.db2.gz JYHGYVMOKFZGAT-RKDXNWHRSA-N 1 2 237.303 0.896 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)Cc1c[nH+]cn1C ZINC000673039193 487644370 /nfs/dbraw/zinc/64/43/70/487644370.db2.gz AHKNSTQVLIJVPX-NSHDSACASA-N 1 2 237.303 0.192 20 0 BCADLO Cc1cc(N2CCC(O)(CO)CC2)nc[nH+]1 ZINC000313637301 487644400 /nfs/dbraw/zinc/64/44/00/487644400.db2.gz MNYLTDZIZKQDLG-UHFFFAOYSA-N 1 2 223.276 0.109 20 0 BCADLO CO[C@H]1C[NH+](Cc2nnc(C)s2)C[C@@H]1OC ZINC000488110791 225347610 /nfs/dbraw/zinc/34/76/10/225347610.db2.gz QRVVWDIEVNVEDK-IUCAKERBSA-N 1 2 243.332 0.692 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)no1 ZINC000313631714 487644528 /nfs/dbraw/zinc/64/45/28/487644528.db2.gz HLMAEKWDVUUGIC-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@](O)(CO)C2)no1 ZINC000313631714 487644533 /nfs/dbraw/zinc/64/45/33/487644533.db2.gz HLMAEKWDVUUGIC-LLVKDONJSA-N 1 2 226.276 0.302 20 0 BCADLO Cc1nc(N2CCC(O)(CO)CC2)cc[nH+]1 ZINC000313649232 487646266 /nfs/dbraw/zinc/64/62/66/487646266.db2.gz ZWAQPSLQTAXUKT-UHFFFAOYSA-N 1 2 223.276 0.109 20 0 BCADLO COC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492758852 226046611 /nfs/dbraw/zinc/04/66/11/226046611.db2.gz BCHNUBPYVQEJRD-WYGGZMRJSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759773 226047190 /nfs/dbraw/zinc/04/71/90/226047190.db2.gz CRDHGFQUVFOFHY-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2n[nH]cc2C1 ZINC000492768693 226049173 /nfs/dbraw/zinc/04/91/73/226049173.db2.gz PDRWWQDLYGNWOB-UPHRSURJSA-N 1 2 243.270 0.731 20 0 BCADLO COC[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492801817 226054888 /nfs/dbraw/zinc/05/48/88/226054888.db2.gz CJOOULBTBHTNDZ-MXQLGCADSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)N1CCCC1 ZINC000492810145 226057329 /nfs/dbraw/zinc/05/73/29/226057329.db2.gz HNEJMPDDCBQXRX-ONEGZZNKSA-N 1 2 248.286 0.162 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)CC(F)F ZINC000492820244 226060251 /nfs/dbraw/zinc/06/02/51/226060251.db2.gz ATHACEQNKYANJU-CMLYIYFCSA-N 1 2 245.229 0.555 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCCC1 ZINC000492857438 226069053 /nfs/dbraw/zinc/06/90/53/226069053.db2.gz KKZUIZXZNQCEHL-ARJAWSKDSA-N 1 2 235.287 0.844 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@@H]1CCOC1 ZINC000492869661 226071877 /nfs/dbraw/zinc/07/18/77/226071877.db2.gz VBVOKKGKRYUXIW-GPYPMJJRSA-N 1 2 223.232 0.260 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867527 226072187 /nfs/dbraw/zinc/07/21/87/226072187.db2.gz RQWAFLIBIKYXOE-VSQXVHSFSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@H]1CCOC1 ZINC000492869676 226072399 /nfs/dbraw/zinc/07/23/99/226072399.db2.gz VBVOKKGKRYUXIW-VWCDRPFISA-N 1 2 223.232 0.260 20 0 BCADLO C[C@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492902874 226079399 /nfs/dbraw/zinc/07/93/99/226079399.db2.gz RYSHKAQPZZUYAN-ITKZLYELSA-N 1 2 235.287 0.700 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(=O)CC1 ZINC000493009428 226102155 /nfs/dbraw/zinc/10/21/55/226102155.db2.gz VXMUWKIIBJUMQJ-OWOJBTEDSA-N 1 2 219.244 0.614 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](CCO)C1 ZINC000493055531 226113694 /nfs/dbraw/zinc/11/36/94/226113694.db2.gz SQIGCBAZSLKLGU-SYBPUXJVSA-N 1 2 235.287 0.654 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(F)(F)CO ZINC000493069631 226116977 /nfs/dbraw/zinc/11/69/77/226116977.db2.gz IJCVJZBPHIPIPA-OWOJBTEDSA-N 1 2 231.202 0.167 20 0 BCADLO C[C@@H]1COCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493093224 226125205 /nfs/dbraw/zinc/12/52/05/226125205.db2.gz JLSZNQAUHSXLQU-NWRGJWMSSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493120512 226131731 /nfs/dbraw/zinc/13/17/31/226131731.db2.gz QQDDXVFQGPRKTL-BKIAHZASSA-N 1 2 223.276 0.699 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N(C1CC1)C1COC1 ZINC000493246156 226165408 /nfs/dbraw/zinc/16/54/08/226165408.db2.gz AAYOGCJWJNLOLF-ARJAWSKDSA-N 1 2 233.271 0.813 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493286055 226175825 /nfs/dbraw/zinc/17/58/25/226175825.db2.gz DAPOYNGVDJZFFO-AEYKPDCFSA-N 1 2 248.286 0.064 20 0 BCADLO CO[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493400459 226207035 /nfs/dbraw/zinc/20/70/35/226207035.db2.gz ZEEZORIJVYTEBA-WYGGZMRJSA-N 1 2 235.287 0.964 20 0 BCADLO COCC(COC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493413567 226208803 /nfs/dbraw/zinc/20/88/03/226208803.db2.gz DRDNVIHGTLNZPY-ONEGZZNKSA-N 1 2 239.275 0.201 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCOC1 ZINC000493418160 226210280 /nfs/dbraw/zinc/21/02/80/226210280.db2.gz KNQZFKZRWKZHQN-NSCUHMNNSA-N 1 2 207.233 0.629 20 0 BCADLO C[C@H]1C(=O)NCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493421162 226211916 /nfs/dbraw/zinc/21/19/16/226211916.db2.gz OWJZLQYZFONYPJ-TYRPZCRBSA-N 1 2 248.286 0.160 20 0 BCADLO O=C(C=Cc1c[nH]cn1)N1CCn2c[nH+]cc2C1 ZINC000493433173 226215236 /nfs/dbraw/zinc/21/52/36/226215236.db2.gz NQXFGROZCLVWRB-UPHRSURJSA-N 1 2 243.270 0.662 20 0 BCADLO C[C@]1(C(N)=O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493447461 226217729 /nfs/dbraw/zinc/21/77/29/226217729.db2.gz DTKBDSRZIGBYMF-JDGPPOGSSA-N 1 2 248.286 0.147 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000493496025 226232979 /nfs/dbraw/zinc/23/29/79/226232979.db2.gz PAHGUZZCBIPNHU-JOJSBEDBSA-N 1 2 247.298 0.652 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493617054 226246358 /nfs/dbraw/zinc/24/63/58/226246358.db2.gz HJHYSEDUXXVSRD-VJIGKBMESA-N 1 2 223.276 0.963 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC000493639225 226247257 /nfs/dbraw/zinc/24/72/57/226247257.db2.gz CJVCLZJOKOJPNW-ZJELKQJVSA-N 1 2 236.275 0.016 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493642972 226247497 /nfs/dbraw/zinc/24/74/97/226247497.db2.gz DKCJVIOLNRZIFW-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO Cn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493697720 226249859 /nfs/dbraw/zinc/24/98/59/226249859.db2.gz SLFQSDNXRZUWGE-IHWYPQMZSA-N 1 2 217.232 0.795 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ncc[nH]1 ZINC000493706360 226250397 /nfs/dbraw/zinc/25/03/97/226250397.db2.gz LXMQNCWDGXUKDW-VMZHVLLKSA-N 1 2 245.286 0.824 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CCO)CC1 ZINC000493719201 226251050 /nfs/dbraw/zinc/25/10/50/226251050.db2.gz GTFXZLYMOCDNDQ-UPHRSURJSA-N 1 2 235.287 0.702 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCn1cccn1 ZINC000493742846 226251931 /nfs/dbraw/zinc/25/19/31/226251931.db2.gz UKRDEGVBQTWTNT-ONEGZZNKSA-N 1 2 245.286 0.826 20 0 BCADLO O=C(/C=C/c1ncc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000493743623 226252010 /nfs/dbraw/zinc/25/20/10/226252010.db2.gz DJONJCXXJJCQLK-OWOJBTEDSA-N 1 2 243.270 0.703 20 0 BCADLO C[C@@H](CO)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493773841 226253556 /nfs/dbraw/zinc/25/35/56/226253556.db2.gz XWEYEVBJCHVGHP-UMCURTJPSA-N 1 2 237.303 0.948 20 0 BCADLO Cc1cc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc[nH+]1 ZINC000495106388 226276687 /nfs/dbraw/zinc/27/66/87/226276687.db2.gz QFSGAMPLUWNFFG-ZJUUUORDSA-N 1 2 248.286 0.720 20 0 BCADLO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H]1CN(C)C(=O)O1 ZINC000496459750 226305313 /nfs/dbraw/zinc/30/53/13/226305313.db2.gz XVTWRMOEXBBBFP-OPRDCNLKSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)[C@@H](C)CO1 ZINC000496580114 226308755 /nfs/dbraw/zinc/30/87/55/226308755.db2.gz GBMCIGYCXKGSJI-IVZWLZJFSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)[C@@H](C)CO1 ZINC000496580114 226308756 /nfs/dbraw/zinc/30/87/56/226308756.db2.gz GBMCIGYCXKGSJI-IVZWLZJFSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)OCCCF ZINC000496808380 226314612 /nfs/dbraw/zinc/31/46/12/226314612.db2.gz IMBSOUAYBRYXMN-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)OCCCF ZINC000496808380 226314613 /nfs/dbraw/zinc/31/46/13/226314613.db2.gz IMBSOUAYBRYXMN-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC2(C1)CNC(=O)O2 ZINC000497069523 226321755 /nfs/dbraw/zinc/32/17/55/226321755.db2.gz DSNZYMHGMFYYIB-UHFFFAOYSA-N 1 2 234.259 0.392 20 0 BCADLO Cc1cnc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000505581335 226357350 /nfs/dbraw/zinc/35/73/50/226357350.db2.gz HTJGVSZJRPFDDP-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO Cc1cnc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000505581335 226357351 /nfs/dbraw/zinc/35/73/51/226357351.db2.gz HTJGVSZJRPFDDP-NSHDSACASA-N 1 2 234.303 0.625 20 0 BCADLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccccc1 ZINC000495776144 226288227 /nfs/dbraw/zinc/28/82/27/226288227.db2.gz FKHFRXGJXSNSNR-SECBINFHSA-N 1 2 235.243 0.642 20 0 BCADLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccccc1 ZINC000495776147 226288370 /nfs/dbraw/zinc/28/83/70/226288370.db2.gz FKHFRXGJXSNSNR-VIFPVBQESA-N 1 2 235.243 0.642 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495794365 226288589 /nfs/dbraw/zinc/28/85/89/226288589.db2.gz MEBYAVYGNVGURA-BDAKNGLRSA-N 1 2 214.265 0.158 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495794365 226288590 /nfs/dbraw/zinc/28/85/90/226288590.db2.gz MEBYAVYGNVGURA-BDAKNGLRSA-N 1 2 214.265 0.158 20 0 BCADLO CC(C)(CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000169931494 487657128 /nfs/dbraw/zinc/65/71/28/487657128.db2.gz YKYRKJWSJZXQNB-UHFFFAOYSA-N 1 2 233.271 0.835 20 0 BCADLO C[C@H]([NH2+]Cc1c[nH]cn1)[C@H](O)C(F)(F)F ZINC000895444554 583674850 /nfs/dbraw/zinc/67/48/50/583674850.db2.gz NJKQAINRLNSLPU-FSPLSTOPSA-N 1 2 223.198 0.811 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000683527430 487669618 /nfs/dbraw/zinc/66/96/18/487669618.db2.gz CFRBARORNUQGFV-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000683527430 487669625 /nfs/dbraw/zinc/66/96/25/487669625.db2.gz CFRBARORNUQGFV-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)C(F)F ZINC000228513970 487669557 /nfs/dbraw/zinc/66/95/57/487669557.db2.gz BAHHBIRTSMLZDV-BQBZGAKWSA-N 1 2 227.276 0.807 20 0 BCADLO O=C(NCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000305125794 229365782 /nfs/dbraw/zinc/36/57/82/229365782.db2.gz IGIWPDCEBGUYGE-UHFFFAOYSA-N 1 2 231.255 0.594 20 0 BCADLO COC[C@@H](C)Cc1noc(C[NH+](C)C)n1 ZINC000351477367 487674366 /nfs/dbraw/zinc/67/43/66/487674366.db2.gz OCFMGVJPOKTCDR-QMMMGPOBSA-N 1 2 213.281 0.956 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1ncc[nH]1)[C@H]1CCOC1 ZINC000660142141 487685423 /nfs/dbraw/zinc/68/54/23/487685423.db2.gz OTFCNUVQKUJDQM-QWRGUYRKSA-N 1 2 239.319 0.893 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1ncc[nH]1)[C@H]1CCOC1 ZINC000660142141 487685426 /nfs/dbraw/zinc/68/54/26/487685426.db2.gz OTFCNUVQKUJDQM-QWRGUYRKSA-N 1 2 239.319 0.893 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1ncccn1 ZINC000660142145 487685433 /nfs/dbraw/zinc/68/54/33/487685433.db2.gz OXLQWBXSYQQPMT-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CCN1CC[C@@H](N(C)Cc2[nH]cc[nH+]2)C1=O ZINC000660142284 487685197 /nfs/dbraw/zinc/68/51/97/487685197.db2.gz UBHNNGJCVDLPEC-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO C[C@@H]1CN(c2cccc[nH+]2)CCS1(=O)=O ZINC000097142352 487689844 /nfs/dbraw/zinc/68/98/44/487689844.db2.gz WQDVENJUBYMBNM-SECBINFHSA-N 1 2 226.301 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844184 487691652 /nfs/dbraw/zinc/69/16/52/487691652.db2.gz KXXHMZZEICMPBY-ZETCQYMHSA-N 1 2 215.253 0.224 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844184 487691654 /nfs/dbraw/zinc/69/16/54/487691654.db2.gz KXXHMZZEICMPBY-ZETCQYMHSA-N 1 2 215.253 0.224 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCOC1 ZINC000668401087 487694747 /nfs/dbraw/zinc/69/47/47/487694747.db2.gz OAQDHPYKBCPUBP-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCOC1 ZINC000668401087 487694753 /nfs/dbraw/zinc/69/47/53/487694753.db2.gz OAQDHPYKBCPUBP-ZJUUUORDSA-N 1 2 249.314 0.762 20 0 BCADLO COC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649207932 487697323 /nfs/dbraw/zinc/69/73/23/487697323.db2.gz DTMLYLUWNJOLSI-UWVGGRQHSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@H](C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC000675360657 487719672 /nfs/dbraw/zinc/71/96/72/487719672.db2.gz VDYLFXCUOLCWJA-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO Nc1ccnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000371433747 487720005 /nfs/dbraw/zinc/72/00/05/487720005.db2.gz YFZCOABPWKVNMS-SECBINFHSA-N 1 2 244.302 1.119 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000681105182 487724806 /nfs/dbraw/zinc/72/48/06/487724806.db2.gz QHHWONYPMZPZNT-BJDJZHNGSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@@H+](CCOC)CCS(=O)(=O)CC ZINC000735671234 584980740 /nfs/dbraw/zinc/98/07/40/584980740.db2.gz DULVKHSDDGVCMC-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO COC[C@@H](C)CNc1[nH+]cnc2c1OCCN2 ZINC000665695046 487732730 /nfs/dbraw/zinc/73/27/30/487732730.db2.gz UWDXWPSPXCCTKL-QMMMGPOBSA-N 1 2 238.291 0.975 20 0 BCADLO COC[C@@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000665695046 487732736 /nfs/dbraw/zinc/73/27/36/487732736.db2.gz UWDXWPSPXCCTKL-QMMMGPOBSA-N 1 2 238.291 0.975 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)COC(C)C ZINC000118002754 487732769 /nfs/dbraw/zinc/73/27/69/487732769.db2.gz DMQJJLHICSORFX-VIFPVBQESA-N 1 2 233.308 0.314 20 0 BCADLO CC(C)(O)CNc1nc[nH+]c2c1OCCN2 ZINC000665697997 487733398 /nfs/dbraw/zinc/73/33/98/487733398.db2.gz MIWMVXRRFPQGCT-UHFFFAOYSA-N 1 2 224.264 0.464 20 0 BCADLO CC(C)(O)CNc1[nH+]cnc2c1OCCN2 ZINC000665697997 487733400 /nfs/dbraw/zinc/73/34/00/487733400.db2.gz MIWMVXRRFPQGCT-UHFFFAOYSA-N 1 2 224.264 0.464 20 0 BCADLO CN(c1nc[nH+]c2c1OCCN2)[C@@H]1CCOC1 ZINC000665700147 487734186 /nfs/dbraw/zinc/73/41/86/487734186.db2.gz NJBLZQZKUZBLIF-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO CN(c1[nH+]cnc2c1OCCN2)[C@@H]1CCOC1 ZINC000665700147 487734189 /nfs/dbraw/zinc/73/41/89/487734189.db2.gz NJBLZQZKUZBLIF-MRVPVSSYSA-N 1 2 236.275 0.506 20 0 BCADLO OC[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665702078 487734550 /nfs/dbraw/zinc/73/45/50/487734550.db2.gz LMNSGSCMZJEXCY-QMMMGPOBSA-N 1 2 236.275 0.100 20 0 BCADLO OC[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665702078 487734555 /nfs/dbraw/zinc/73/45/55/487734555.db2.gz LMNSGSCMZJEXCY-QMMMGPOBSA-N 1 2 236.275 0.100 20 0 BCADLO CC[C@@H](CCO)Nc1nc[nH+]c2c1OCCN2 ZINC000665702386 487734569 /nfs/dbraw/zinc/73/45/69/487734569.db2.gz CARUJWUDHMKOLQ-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO CC[C@@H](CCO)Nc1[nH+]cnc2c1OCCN2 ZINC000665702386 487734591 /nfs/dbraw/zinc/73/45/91/487734591.db2.gz CARUJWUDHMKOLQ-QMMMGPOBSA-N 1 2 238.291 0.854 20 0 BCADLO OC[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665702077 487735105 /nfs/dbraw/zinc/73/51/05/487735105.db2.gz LMNSGSCMZJEXCY-MRVPVSSYSA-N 1 2 236.275 0.100 20 0 BCADLO OC[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665702077 487735107 /nfs/dbraw/zinc/73/51/07/487735107.db2.gz LMNSGSCMZJEXCY-MRVPVSSYSA-N 1 2 236.275 0.100 20 0 BCADLO Cn1ccc(CNc2nc[nH+]c3c2OCCN3)n1 ZINC000665709485 487736173 /nfs/dbraw/zinc/73/61/73/487736173.db2.gz MWOJYCVXIQUAJE-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO Cn1ccc(CNc2[nH+]cnc3c2OCCN3)n1 ZINC000665709485 487736179 /nfs/dbraw/zinc/73/61/79/487736179.db2.gz MWOJYCVXIQUAJE-UHFFFAOYSA-N 1 2 246.274 0.627 20 0 BCADLO CO[C@@H](C)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665719247 487738594 /nfs/dbraw/zinc/73/85/94/487738594.db2.gz LQWDBJCTTFMXGY-QMMMGPOBSA-N 1 2 238.291 0.752 20 0 BCADLO CO[C@@H](C)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665719247 487738600 /nfs/dbraw/zinc/73/86/00/487738600.db2.gz LQWDBJCTTFMXGY-QMMMGPOBSA-N 1 2 238.291 0.752 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1COCCO1 ZINC000661609629 487747643 /nfs/dbraw/zinc/74/76/43/487747643.db2.gz BWJVSFWGVGACEZ-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1COCCO1 ZINC000661609629 487747646 /nfs/dbraw/zinc/74/76/46/487747646.db2.gz BWJVSFWGVGACEZ-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCOC[C@H]2C)[nH]1 ZINC000681210480 487748995 /nfs/dbraw/zinc/74/89/95/487748995.db2.gz HYTAZXANFCBTJY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCCOC[C@H]2C)[nH]1 ZINC000681210480 487748999 /nfs/dbraw/zinc/74/89/99/487748999.db2.gz HYTAZXANFCBTJY-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(O)CCC1 ZINC000681259380 487762004 /nfs/dbraw/zinc/76/20/04/487762004.db2.gz RVVVTAAZEZYARR-LLVKDONJSA-N 1 2 249.314 0.962 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751013337 585223560 /nfs/dbraw/zinc/22/35/60/585223560.db2.gz BUQOLCKVCJTZNV-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC2CC2)C[C@H]1C ZINC000681264368 487762832 /nfs/dbraw/zinc/76/28/32/487762832.db2.gz YEJWBTJIOUESDE-SECBINFHSA-N 1 2 247.364 0.009 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC2CC2)C[C@H]1C ZINC000681264368 487762838 /nfs/dbraw/zinc/76/28/38/487762838.db2.gz YEJWBTJIOUESDE-SECBINFHSA-N 1 2 247.364 0.009 20 0 BCADLO C[C@H](CCO)NC(=O)CCCn1cc[nH+]c1 ZINC000675720038 487769115 /nfs/dbraw/zinc/76/91/15/487769115.db2.gz DGNDWDIXEMLYKB-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CC(C)(O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000681321247 487775549 /nfs/dbraw/zinc/77/55/49/487775549.db2.gz KUKUDTCNSVLRFG-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@@H](CC(=O)NCC(C)(C)CO)n1cc[nH+]c1 ZINC000651546071 487776431 /nfs/dbraw/zinc/77/64/31/487776431.db2.gz HDLPTWHVADQHSF-JTQLQIEISA-N 1 2 239.319 0.969 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CCn1cccc1 ZINC000681343054 487781245 /nfs/dbraw/zinc/78/12/45/487781245.db2.gz HTILKVGRCZKSLW-UHFFFAOYSA-N 1 2 246.314 0.971 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)Cc1cc[nH]n1 ZINC000681358266 487783545 /nfs/dbraw/zinc/78/35/45/487783545.db2.gz WNYXRNVHYQNPHO-UHFFFAOYSA-N 1 2 245.286 0.474 20 0 BCADLO C[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681361292 487784621 /nfs/dbraw/zinc/78/46/21/487784621.db2.gz CIHPFFITZGWBQV-NXEZZACHSA-N 1 2 249.314 0.933 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCS(C)(=O)=O ZINC000768768937 585542605 /nfs/dbraw/zinc/54/26/05/585542605.db2.gz DONNKNVTCJWNBP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCS(C)(=O)=O ZINC000768768937 585542606 /nfs/dbraw/zinc/54/26/06/585542606.db2.gz DONNKNVTCJWNBP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCS(C)(=O)=O ZINC000768768937 585542607 /nfs/dbraw/zinc/54/26/07/585542607.db2.gz DONNKNVTCJWNBP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H](NC(=O)N[C@@H](C)CO)c1[nH+]ccn1C ZINC000666350476 487791210 /nfs/dbraw/zinc/79/12/10/487791210.db2.gz SKFHQHXYJUFZQX-JGVFFNPUSA-N 1 2 226.280 0.161 20 0 BCADLO CN1C[C@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000364972843 487791287 /nfs/dbraw/zinc/79/12/87/487791287.db2.gz OPOAATLMCHQEID-JTQLQIEISA-N 1 2 232.287 0.638 20 0 BCADLO COCCC1C[NH+](Cc2ccn(C)n2)C1 ZINC000668472344 487797173 /nfs/dbraw/zinc/79/71/73/487797173.db2.gz ISJWDFSWLPSDLU-UHFFFAOYSA-N 1 2 209.293 0.888 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669611400 487803575 /nfs/dbraw/zinc/80/35/75/487803575.db2.gz NXJVETFISPGOLQ-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669611400 487803577 /nfs/dbraw/zinc/80/35/77/487803577.db2.gz NXJVETFISPGOLQ-MRVPVSSYSA-N 1 2 245.286 0.729 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H](C)[C@@H](O)C1)n1cc[nH+]c1 ZINC000651632182 487804541 /nfs/dbraw/zinc/80/45/41/487804541.db2.gz GVABJUIKUFFHLC-MXWKQRLJSA-N 1 2 237.303 0.673 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000628120291 487804140 /nfs/dbraw/zinc/80/41/40/487804140.db2.gz GHGBWJCGFFPCKK-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1ncc(C[N@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000628120291 487804147 /nfs/dbraw/zinc/80/41/47/487804147.db2.gz GHGBWJCGFFPCKK-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1nc(N(C)CC(C)(C)O)nc(N(C)C)[nH+]1 ZINC000676080859 487806591 /nfs/dbraw/zinc/80/65/91/487806591.db2.gz YVEKJGAPKOJMFE-UHFFFAOYSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)CC(C)(C)O)[nH+]1 ZINC000676080859 487806596 /nfs/dbraw/zinc/80/65/96/487806596.db2.gz YVEKJGAPKOJMFE-UHFFFAOYSA-N 1 2 239.323 0.453 20 0 BCADLO CCC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676080854 487811147 /nfs/dbraw/zinc/81/11/47/487811147.db2.gz YSZBHXKEHJONSI-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO CCC[C@H](O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000676080854 487811153 /nfs/dbraw/zinc/81/11/53/487811153.db2.gz YSZBHXKEHJONSI-VIFPVBQESA-N 1 2 239.323 0.819 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](O)C1 ZINC000681554223 487812098 /nfs/dbraw/zinc/81/20/98/487812098.db2.gz NQZGAAWXBVRHCW-ZJUUUORDSA-N 1 2 235.287 0.039 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884493 487812668 /nfs/dbraw/zinc/81/26/68/487812668.db2.gz TULRHOXYQTWWBD-JQWIXIFHSA-N 1 2 239.319 0.422 20 0 BCADLO C[C@H](CO)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884493 487812673 /nfs/dbraw/zinc/81/26/73/487812673.db2.gz TULRHOXYQTWWBD-JQWIXIFHSA-N 1 2 239.319 0.422 20 0 BCADLO Cc1nccnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666451395 487813137 /nfs/dbraw/zinc/81/31/37/487813137.db2.gz XNBKZTGVQBAMPM-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681550840 487813152 /nfs/dbraw/zinc/81/31/52/487813152.db2.gz COUSZQIMKBSRHZ-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884494 487812954 /nfs/dbraw/zinc/81/29/54/487812954.db2.gz TULRHOXYQTWWBD-PWSUYJOCSA-N 1 2 239.319 0.422 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884494 487812963 /nfs/dbraw/zinc/81/29/63/487812963.db2.gz TULRHOXYQTWWBD-PWSUYJOCSA-N 1 2 239.319 0.422 20 0 BCADLO CC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(N)=O ZINC000643172419 487814481 /nfs/dbraw/zinc/81/44/81/487814481.db2.gz PJUWIZORHKYXHJ-MRVPVSSYSA-N 1 2 236.319 1.450 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(=O)CC1 ZINC000681578691 487817648 /nfs/dbraw/zinc/81/76/48/487817648.db2.gz GRQJZSXSRWARGJ-SNVBAGLBSA-N 1 2 247.298 0.637 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000647956959 487820656 /nfs/dbraw/zinc/82/06/56/487820656.db2.gz VPBDDQFFDYYGCZ-SECBINFHSA-N 1 2 224.260 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000647956959 487820658 /nfs/dbraw/zinc/82/06/58/487820658.db2.gz VPBDDQFFDYYGCZ-SECBINFHSA-N 1 2 224.260 0.834 20 0 BCADLO CS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828382 487822678 /nfs/dbraw/zinc/82/26/78/487822678.db2.gz FZGALTSDBATTIK-UHFFFAOYSA-N 1 2 229.305 0.549 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](F)C1 ZINC000649938086 487824200 /nfs/dbraw/zinc/82/42/00/487824200.db2.gz UUFHDMMZBXZRRT-GARJFASQSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](F)C1 ZINC000649938086 487824204 /nfs/dbraw/zinc/82/42/04/487824204.db2.gz UUFHDMMZBXZRRT-GARJFASQSA-N 1 2 244.310 0.714 20 0 BCADLO c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)n[nH]1 ZINC000681630163 487826611 /nfs/dbraw/zinc/82/66/11/487826611.db2.gz NZNDEUPOPFWIOO-JTQLQIEISA-N 1 2 218.264 0.448 20 0 BCADLO c1cc(C[N@H+]2CC[C@H](n3cncn3)C2)n[nH]1 ZINC000681630163 487826617 /nfs/dbraw/zinc/82/66/17/487826617.db2.gz NZNDEUPOPFWIOO-JTQLQIEISA-N 1 2 218.264 0.448 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1cnn(C)c1Cl ZINC000816611778 586743442 /nfs/dbraw/zinc/74/34/42/586743442.db2.gz XCKHYUPDTVIVRP-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816611778 586743443 /nfs/dbraw/zinc/74/34/43/586743443.db2.gz XCKHYUPDTVIVRP-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO CC(C)OC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000496459426 527817409 /nfs/dbraw/zinc/81/74/09/527817409.db2.gz XDDKGDXVXQYSEQ-UWVGGRQHSA-N 1 2 228.292 0.546 20 0 BCADLO CC(C)OC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000496459426 527817417 /nfs/dbraw/zinc/81/74/17/527817417.db2.gz XDDKGDXVXQYSEQ-UWVGGRQHSA-N 1 2 228.292 0.546 20 0 BCADLO CC(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000496457459 527818094 /nfs/dbraw/zinc/81/80/94/527818094.db2.gz XDDKGDXVXQYSEQ-ZJUUUORDSA-N 1 2 228.292 0.546 20 0 BCADLO CC(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000496457459 527818101 /nfs/dbraw/zinc/81/81/01/527818101.db2.gz XDDKGDXVXQYSEQ-ZJUUUORDSA-N 1 2 228.292 0.546 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC1OCCO1 ZINC000823195300 587207703 /nfs/dbraw/zinc/20/77/03/587207703.db2.gz UIBBCZAMTWPEEB-JTQLQIEISA-N 1 2 214.309 0.385 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC1OCCO1 ZINC000823195300 587207704 /nfs/dbraw/zinc/20/77/04/587207704.db2.gz UIBBCZAMTWPEEB-JTQLQIEISA-N 1 2 214.309 0.385 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050469 587349999 /nfs/dbraw/zinc/34/99/99/587349999.db2.gz XMUJVPOIBCSBRL-BDAKNGLRSA-N 1 2 215.297 0.136 20 0 BCADLO CC(C)[N@H+](CC1OCCO1)C1COC1 ZINC000830220854 587541858 /nfs/dbraw/zinc/54/18/58/587541858.db2.gz ILTVMNRLMVPJER-UHFFFAOYSA-N 1 2 201.266 0.469 20 0 BCADLO CC(C)[N@@H+](CC1OCCO1)C1COC1 ZINC000830220854 587541860 /nfs/dbraw/zinc/54/18/60/587541860.db2.gz ILTVMNRLMVPJER-UHFFFAOYSA-N 1 2 201.266 0.469 20 0 BCADLO CCN(Cc1c[nH+]c2n1CCC2)[C@H]1CCNC1=O ZINC000668103102 487839004 /nfs/dbraw/zinc/83/90/04/487839004.db2.gz FFZSIVQJOZCATJ-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn3c2CCC3)CC(=O)N1C ZINC000668108021 487841070 /nfs/dbraw/zinc/84/10/70/487841070.db2.gz PUEXBZYVOLJNKM-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn3c2CCC3)CC(=O)N1C ZINC000668108021 487841073 /nfs/dbraw/zinc/84/10/73/487841073.db2.gz PUEXBZYVOLJNKM-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO Cn1cnc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000558352189 322948985 /nfs/dbraw/zinc/94/89/85/322948985.db2.gz KXWQETMWLJFZFF-SSDOTTSWSA-N 1 2 246.274 0.597 20 0 BCADLO C[C@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000676363157 487841605 /nfs/dbraw/zinc/84/16/05/487841605.db2.gz CNIXFVPCXSDMLK-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851717245 588616041 /nfs/dbraw/zinc/61/60/41/588616041.db2.gz UZHJUGHZRKJZPJ-MRVPVSSYSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851717245 588616042 /nfs/dbraw/zinc/61/60/42/588616042.db2.gz UZHJUGHZRKJZPJ-MRVPVSSYSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC(F)F ZINC000852007306 588654632 /nfs/dbraw/zinc/65/46/32/588654632.db2.gz ZLIHLQGNMFHPGZ-LURJTMIESA-N 1 2 211.208 0.719 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H]1CN(C)C(=O)O1 ZINC000496494931 528796726 /nfs/dbraw/zinc/79/67/26/528796726.db2.gz XBHOALWQCRXDPX-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CN(C)C(=O)O1 ZINC000496494931 528796736 /nfs/dbraw/zinc/79/67/36/528796736.db2.gz XBHOALWQCRXDPX-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO COCC[N@H+](CCF)C[C@@](C)(O)C(C)=O ZINC000852480259 588682752 /nfs/dbraw/zinc/68/27/52/588682752.db2.gz SJNHFGBSHKLPCJ-SNVBAGLBSA-N 1 2 221.272 0.244 20 0 BCADLO COCC[N@@H+](CCF)C[C@@](C)(O)C(C)=O ZINC000852480259 588682753 /nfs/dbraw/zinc/68/27/53/588682753.db2.gz SJNHFGBSHKLPCJ-SNVBAGLBSA-N 1 2 221.272 0.244 20 0 BCADLO COCC[N@H+](CCF)CCc1c[nH]nn1 ZINC000852480188 588683557 /nfs/dbraw/zinc/68/35/57/588683557.db2.gz PCFWXVKOGGGBEL-UHFFFAOYSA-N 1 2 216.260 0.265 20 0 BCADLO COCC[N@@H+](CCF)CCc1c[nH]nn1 ZINC000852480188 588683558 /nfs/dbraw/zinc/68/35/58/588683558.db2.gz PCFWXVKOGGGBEL-UHFFFAOYSA-N 1 2 216.260 0.265 20 0 BCADLO COCC[N@H+](CCF)CCc1cn[nH]n1 ZINC000852480188 588683559 /nfs/dbraw/zinc/68/35/59/588683559.db2.gz PCFWXVKOGGGBEL-UHFFFAOYSA-N 1 2 216.260 0.265 20 0 BCADLO COCC[N@@H+](CCF)CCc1cn[nH]n1 ZINC000852480188 588683560 /nfs/dbraw/zinc/68/35/60/588683560.db2.gz PCFWXVKOGGGBEL-UHFFFAOYSA-N 1 2 216.260 0.265 20 0 BCADLO COCC[N@H+](CCF)CC[S@@](C)=O ZINC000852480512 588683816 /nfs/dbraw/zinc/68/38/16/588683816.db2.gz YMVQFAAYAQRQLS-CYBMUJFWSA-N 1 2 211.302 0.283 20 0 BCADLO COCC[N@@H+](CCF)CC[S@@](C)=O ZINC000852480512 588683817 /nfs/dbraw/zinc/68/38/17/588683817.db2.gz YMVQFAAYAQRQLS-CYBMUJFWSA-N 1 2 211.302 0.283 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)CC1=CCSC1 ZINC000852747294 588699689 /nfs/dbraw/zinc/69/96/89/588699689.db2.gz CQLCMHBGLNKXQK-UHFFFAOYSA-N 1 2 235.374 0.636 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)CC1=CCSC1 ZINC000852747294 588699690 /nfs/dbraw/zinc/69/96/90/588699690.db2.gz CQLCMHBGLNKXQK-UHFFFAOYSA-N 1 2 235.374 0.636 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668995311 487844226 /nfs/dbraw/zinc/84/42/26/487844226.db2.gz KGDVEICTVVOEFC-WCBMZHEXSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668995311 487844231 /nfs/dbraw/zinc/84/42/31/487844231.db2.gz KGDVEICTVVOEFC-WCBMZHEXSA-N 1 2 223.276 0.841 20 0 BCADLO CCC[C@H](C[N@@H+](C)CCS(C)(=O)=O)OC ZINC000876585160 590218553 /nfs/dbraw/zinc/21/85/53/590218553.db2.gz BDUWDIVUQYKHSK-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3CCC[C@H]32)[nH]1 ZINC000681709938 487846710 /nfs/dbraw/zinc/84/67/10/487846710.db2.gz MXGDNLJVYGXECH-HTQZYQBOSA-N 1 2 208.265 0.885 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3CCC[C@H]32)[nH]1 ZINC000681709938 487846714 /nfs/dbraw/zinc/84/67/14/487846714.db2.gz MXGDNLJVYGXECH-HTQZYQBOSA-N 1 2 208.265 0.885 20 0 BCADLO C[C@@H](NC(=O)c1ccc(C(N)=O)o1)c1[nH]cc[nH+]1 ZINC000558454305 322950364 /nfs/dbraw/zinc/95/03/64/322950364.db2.gz FSJGXBPFGWRZLP-ZCFIWIBFSA-N 1 2 248.242 0.593 20 0 BCADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cn1 ZINC000558643694 322952865 /nfs/dbraw/zinc/95/28/65/322952865.db2.gz NMBKVDAGQRVDEM-UHFFFAOYSA-N 1 2 230.271 0.903 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2[nH]ncc2C)C1 ZINC000668498469 487856267 /nfs/dbraw/zinc/85/62/67/487856267.db2.gz KPOJBQGNLHPKTC-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000668498469 487856274 /nfs/dbraw/zinc/85/62/74/487856274.db2.gz KPOJBQGNLHPKTC-LBPRGKRZSA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H](C[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC000564642483 322956753 /nfs/dbraw/zinc/95/67/53/322956753.db2.gz OKPMQHVFNPXONI-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000373246505 487864490 /nfs/dbraw/zinc/86/44/90/487864490.db2.gz VQZVZNVBGBODDK-BYDTYLDUSA-N 1 2 238.740 0.492 20 0 BCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000373246505 487864496 /nfs/dbraw/zinc/86/44/96/487864496.db2.gz VQZVZNVBGBODDK-BYDTYLDUSA-N 1 2 238.740 0.492 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccncc1 ZINC000303379333 487864329 /nfs/dbraw/zinc/86/43/29/487864329.db2.gz QIVQVSOKGZHMKI-NSHDSACASA-N 1 2 235.287 0.477 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccncc1 ZINC000303379333 487864333 /nfs/dbraw/zinc/86/43/33/487864333.db2.gz QIVQVSOKGZHMKI-NSHDSACASA-N 1 2 235.287 0.477 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000676560667 487873270 /nfs/dbraw/zinc/87/32/70/487873270.db2.gz JNKKASJVJYAMBE-SFGNSQDASA-N 1 2 241.291 0.114 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000676560667 487873276 /nfs/dbraw/zinc/87/32/76/487873276.db2.gz JNKKASJVJYAMBE-SFGNSQDASA-N 1 2 241.291 0.114 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(F)cn1 ZINC000676563520 487874237 /nfs/dbraw/zinc/87/42/37/487874237.db2.gz XICBNDISGYJPMD-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1ncc(F)cn1 ZINC000676563520 487874241 /nfs/dbraw/zinc/87/42/41/487874241.db2.gz XICBNDISGYJPMD-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO Cc1cc(N2CC(F)(F)C[C@@H]2CO)nc[nH+]1 ZINC000681997573 487877102 /nfs/dbraw/zinc/87/71/02/487877102.db2.gz XAASPEJVDKINBM-MRVPVSSYSA-N 1 2 229.230 0.991 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCn1cc[nH+]c1 ZINC000086273627 487877323 /nfs/dbraw/zinc/87/73/23/487877323.db2.gz RROWVLCAZUVVRY-UHFFFAOYSA-N 1 2 225.292 0.503 20 0 BCADLO COC[C@@H](CNc1nc[nH+]c(N)c1OC)OC ZINC000234799054 487878724 /nfs/dbraw/zinc/87/87/24/487878724.db2.gz WFGBLQJZTWZLJJ-SSDOTTSWSA-N 1 2 242.279 0.141 20 0 BCADLO COC[C@@H](CNc1[nH+]cnc(N)c1OC)OC ZINC000234799054 487878730 /nfs/dbraw/zinc/87/87/30/487878730.db2.gz WFGBLQJZTWZLJJ-SSDOTTSWSA-N 1 2 242.279 0.141 20 0 BCADLO CCOCC[N@H+](C)Cc1cn(CC)nn1 ZINC000887547675 645897722 /nfs/dbraw/zinc/89/77/22/645897722.db2.gz TYWLKELQZNBABP-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCOCC[N@@H+](C)Cc1cn(CC)nn1 ZINC000887547675 645897728 /nfs/dbraw/zinc/89/77/28/645897728.db2.gz TYWLKELQZNBABP-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CO[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000234966525 487898029 /nfs/dbraw/zinc/89/80/29/487898029.db2.gz QNZFXZPPOVOFHW-JTQLQIEISA-N 1 2 208.261 0.799 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1ncnn1C ZINC000676710973 487898493 /nfs/dbraw/zinc/89/84/93/487898493.db2.gz DGKKZTJGNILCMW-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1ncnn1C ZINC000676710973 487898496 /nfs/dbraw/zinc/89/84/96/487898496.db2.gz DGKKZTJGNILCMW-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cc1c[nH]nc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000669617275 487899303 /nfs/dbraw/zinc/89/93/03/487899303.db2.gz UHFGJEHVIHGMIU-UHFFFAOYSA-N 1 2 245.286 0.853 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cnc2n1CCC2 ZINC000668536019 487899762 /nfs/dbraw/zinc/89/97/62/487899762.db2.gz MIEUGERMXGXNAP-UHFFFAOYSA-N 1 2 245.286 0.525 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC=CCC1 ZINC000679321520 487900019 /nfs/dbraw/zinc/90/00/19/487900019.db2.gz GQOIAAPKFWPTMD-SECBINFHSA-N 1 2 248.334 0.843 20 0 BCADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC=CCC1 ZINC000679321520 487900024 /nfs/dbraw/zinc/90/00/24/487900024.db2.gz GQOIAAPKFWPTMD-SECBINFHSA-N 1 2 248.334 0.843 20 0 BCADLO CCn1nccc1C[NH2+]Cc1ncc[nH]1 ZINC000164846983 487902370 /nfs/dbraw/zinc/90/23/70/487902370.db2.gz XSTBFVOUXHCFAD-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000669618079 487904219 /nfs/dbraw/zinc/90/42/19/487904219.db2.gz OMBMLLOKSKLGNO-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558229 487930457 /nfs/dbraw/zinc/93/04/57/487930457.db2.gz ZTWFIEWJFZTSPR-VXGBXAGGSA-N 1 2 241.379 0.594 20 0 BCADLO C[C@@H]1C[C@@H]1C[N@@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558229 487930463 /nfs/dbraw/zinc/93/04/63/487930463.db2.gz ZTWFIEWJFZTSPR-VXGBXAGGSA-N 1 2 241.379 0.594 20 0 BCADLO CC1(C[N@@H+]2CCc3cn[nH]c3C2)COC1 ZINC000676793397 487930670 /nfs/dbraw/zinc/93/06/70/487930670.db2.gz ZSTKKKRPQLNTEP-UHFFFAOYSA-N 1 2 207.277 0.804 20 0 BCADLO CC1(C[N@H+]2CCc3cn[nH]c3C2)COC1 ZINC000676793397 487930676 /nfs/dbraw/zinc/93/06/76/487930676.db2.gz ZSTKKKRPQLNTEP-UHFFFAOYSA-N 1 2 207.277 0.804 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558228 487930733 /nfs/dbraw/zinc/93/07/33/487930733.db2.gz ZTWFIEWJFZTSPR-RYUDHWBXSA-N 1 2 241.379 0.594 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558228 487930739 /nfs/dbraw/zinc/93/07/39/487930739.db2.gz ZTWFIEWJFZTSPR-RYUDHWBXSA-N 1 2 241.379 0.594 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1cccnc1N ZINC000052725020 487932514 /nfs/dbraw/zinc/93/25/14/487932514.db2.gz CQURXYYOWDFMHT-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccnc1N ZINC000052725020 487932518 /nfs/dbraw/zinc/93/25/18/487932518.db2.gz CQURXYYOWDFMHT-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CC1(C)NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000052732960 487934307 /nfs/dbraw/zinc/93/43/07/487934307.db2.gz TUVJWSFIPVPMJO-UHFFFAOYSA-N 1 2 234.259 0.494 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000669621283 487940327 /nfs/dbraw/zinc/94/03/27/487940327.db2.gz DBSGQSNRQZEQNV-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000669621283 487940332 /nfs/dbraw/zinc/94/03/32/487940332.db2.gz DBSGQSNRQZEQNV-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO C[C@H]1CCS(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000684620186 487948187 /nfs/dbraw/zinc/94/81/87/487948187.db2.gz ACDSHKOPUNBUDQ-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO C[C@H]1CCS(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000684620186 487948192 /nfs/dbraw/zinc/94/81/92/487948192.db2.gz ACDSHKOPUNBUDQ-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2COC[C@@H]21 ZINC000652435080 487950374 /nfs/dbraw/zinc/95/03/74/487950374.db2.gz MTOFPXRZDCEYQX-MNOVXSKESA-N 1 2 235.287 0.521 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000682422306 487956011 /nfs/dbraw/zinc/95/60/11/487956011.db2.gz QHHWONYPMZPZNT-WISYIIOYSA-N 1 2 240.347 0.868 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2Cc3cncnc3C2)C1 ZINC000566468305 322998803 /nfs/dbraw/zinc/99/88/03/322998803.db2.gz IZBNQAPCSPNVPL-UHFFFAOYSA-N 1 2 246.314 0.661 20 0 BCADLO CN1CC[N@H+](Cc2ncccc2O)C(C)(C)C1=O ZINC000561948858 323009108 /nfs/dbraw/zinc/00/91/08/323009108.db2.gz VEGVACXHBXXVIT-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CN1CC[N@@H+](Cc2ncccc2O)C(C)(C)C1=O ZINC000561948858 323009109 /nfs/dbraw/zinc/00/91/09/323009109.db2.gz VEGVACXHBXXVIT-UHFFFAOYSA-N 1 2 249.314 0.840 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CC(=O)N1CCC1 ZINC000562444845 323020236 /nfs/dbraw/zinc/02/02/36/323020236.db2.gz UDSGFHFNBBGZDK-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CC(=O)N1CCC1 ZINC000562444845 323020237 /nfs/dbraw/zinc/02/02/37/323020237.db2.gz UDSGFHFNBBGZDK-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO COC(=O)NCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000151634694 323021394 /nfs/dbraw/zinc/02/13/94/323021394.db2.gz HVTHRHBMZHRLHT-UHFFFAOYSA-N 1 2 238.247 0.348 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCNC(C)=O ZINC000562543117 323023549 /nfs/dbraw/zinc/02/35/49/323023549.db2.gz JVAHFBNPLXVZKD-LLVKDONJSA-N 1 2 244.335 0.642 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCNC(C)=O ZINC000562543117 323023550 /nfs/dbraw/zinc/02/35/50/323023550.db2.gz JVAHFBNPLXVZKD-LLVKDONJSA-N 1 2 244.335 0.642 20 0 BCADLO CC(=O)C1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000562850104 323032124 /nfs/dbraw/zinc/03/21/24/323032124.db2.gz ZIKWUQXQKNADNI-VIFPVBQESA-N 1 2 247.298 0.752 20 0 BCADLO CC(=O)C1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000562850104 323032125 /nfs/dbraw/zinc/03/21/25/323032125.db2.gz ZIKWUQXQKNADNI-VIFPVBQESA-N 1 2 247.298 0.752 20 0 BCADLO CC(C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564562167 323033993 /nfs/dbraw/zinc/03/39/93/323033993.db2.gz DPVOAZUDGIHDTG-MRVPVSSYSA-N 1 2 213.306 0.915 20 0 BCADLO CCn1nccc1C[N@@H+]1CCn2nncc2C1 ZINC000565229955 323034705 /nfs/dbraw/zinc/03/47/05/323034705.db2.gz PAEXCAGBLPCRFV-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1nccc1C[N@H+]1CCn2nncc2C1 ZINC000565229955 323034706 /nfs/dbraw/zinc/03/47/06/323034706.db2.gz PAEXCAGBLPCRFV-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CN(Cc1cccn1C)C(=O)Cn1cc[nH+]c1 ZINC000569657692 323035797 /nfs/dbraw/zinc/03/57/97/323035797.db2.gz MMHRSGLMAHASLI-UHFFFAOYSA-N 1 2 232.287 0.880 20 0 BCADLO COc1ccc(CNC(=O)Cn2cc[nH+]c2)cn1 ZINC000569657982 323035807 /nfs/dbraw/zinc/03/58/07/323035807.db2.gz VPHXRFCSHANICU-UHFFFAOYSA-N 1 2 246.270 0.603 20 0 BCADLO CC1(C(N)=O)C[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000569841564 323042197 /nfs/dbraw/zinc/04/21/97/323042197.db2.gz WPQQREGMGAFUKF-SNVBAGLBSA-N 1 2 247.298 0.020 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)CC(C)(CO)CO ZINC000569861967 323043350 /nfs/dbraw/zinc/04/33/50/323043350.db2.gz GUFPXSGOLBWMRQ-UHFFFAOYSA-N 1 2 239.319 0.521 20 0 BCADLO CN(CCC(N)=O)c1[nH]c2ccccc2[nH+]1 ZINC000151914008 323044021 /nfs/dbraw/zinc/04/40/21/323044021.db2.gz XOOMAONEFQHLHW-UHFFFAOYSA-N 1 2 218.260 0.875 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)C(=O)N1 ZINC000569986107 323046499 /nfs/dbraw/zinc/04/64/99/323046499.db2.gz XQZRCFAJPSXCIO-SNVBAGLBSA-N 1 2 246.266 0.784 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCC=C(c3ccco3)C2)C(=O)N1 ZINC000569986107 323046500 /nfs/dbraw/zinc/04/65/00/323046500.db2.gz XQZRCFAJPSXCIO-SNVBAGLBSA-N 1 2 246.266 0.784 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572605113 323047298 /nfs/dbraw/zinc/04/72/98/323047298.db2.gz DXIGVNYGLWQOIC-KKZNHRDASA-N 1 2 235.287 0.085 20 0 BCADLO C[C@@H](C(=O)NC[C@H]1CCCC1=O)[NH+]1CC(C)C1 ZINC000570105073 323050161 /nfs/dbraw/zinc/05/01/61/323050161.db2.gz UORIWDZIXPEDJF-WDEREUQCSA-N 1 2 238.331 0.812 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2cc(C)n(C)n2)C1 ZINC000570411461 323058931 /nfs/dbraw/zinc/05/89/31/323058931.db2.gz ORLUCSCODSFLIS-VIFPVBQESA-N 1 2 236.319 0.610 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCCF ZINC000570643765 323065827 /nfs/dbraw/zinc/06/58/27/323065827.db2.gz AHWJKHQZAZNADX-UHFFFAOYSA-N 1 2 235.284 0.531 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCCF ZINC000570643765 323065828 /nfs/dbraw/zinc/06/58/28/323065828.db2.gz AHWJKHQZAZNADX-UHFFFAOYSA-N 1 2 235.284 0.531 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000570684557 323067017 /nfs/dbraw/zinc/06/70/17/323067017.db2.gz GOAOOTCRFYXYRB-BREBYQMCSA-N 1 2 249.314 0.475 20 0 BCADLO O=C1C[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)CN1 ZINC000570790247 323070376 /nfs/dbraw/zinc/07/03/76/323070376.db2.gz MEZUZCZIUWAKQV-SECBINFHSA-N 1 2 247.302 0.599 20 0 BCADLO O=C1C[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)CN1 ZINC000570790247 323070377 /nfs/dbraw/zinc/07/03/77/323070377.db2.gz MEZUZCZIUWAKQV-SECBINFHSA-N 1 2 247.302 0.599 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@H](O)C1 ZINC000570940877 323076007 /nfs/dbraw/zinc/07/60/07/323076007.db2.gz AEDNNWYCLVQATN-OLQVQODUSA-N 1 2 210.237 0.003 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@H](O)C1 ZINC000570940877 323076008 /nfs/dbraw/zinc/07/60/08/323076008.db2.gz AEDNNWYCLVQATN-OLQVQODUSA-N 1 2 210.237 0.003 20 0 BCADLO CN(C)[C@H](C(=O)N[C@@H]1CC12CC2)c1c[nH+]cn1C ZINC000563006840 323079476 /nfs/dbraw/zinc/07/94/76/323079476.db2.gz HLZZHOVBIQBOIX-MNOVXSKESA-N 1 2 248.330 0.692 20 0 BCADLO COCC1([NH2+]Cc2ccn[nH]2)CCOCC1 ZINC000309821726 323082741 /nfs/dbraw/zinc/08/27/41/323082741.db2.gz GADNIAIUPKXGBR-UHFFFAOYSA-N 1 2 225.292 0.695 20 0 BCADLO NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493234370 323085622 /nfs/dbraw/zinc/08/56/22/323085622.db2.gz DLXNMYDJTUQKRX-XRVBUDJMSA-N 1 2 248.286 0.289 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](CCO)C1 ZINC000493459302 323085952 /nfs/dbraw/zinc/08/59/52/323085952.db2.gz VQIGJGUXWZQKSZ-YOLVWIGZSA-N 1 2 235.287 0.654 20 0 BCADLO CC(C)N(CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000531288276 323087062 /nfs/dbraw/zinc/08/70/62/323087062.db2.gz MTQQSLSWHMGQMA-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)N(CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000531288276 323087063 /nfs/dbraw/zinc/08/70/63/323087063.db2.gz MTQQSLSWHMGQMA-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000563158686 323096861 /nfs/dbraw/zinc/09/68/61/323096861.db2.gz SWWSTKUXOYTMDR-UHFFFAOYSA-N 1 2 246.314 0.661 20 0 BCADLO CCn1ccc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000563181826 323100566 /nfs/dbraw/zinc/10/05/66/323100566.db2.gz FLCOUYGDOUZRJZ-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO OCc1nc(SCCCn2cc[nH+]c2)n[nH]1 ZINC000571035776 323104456 /nfs/dbraw/zinc/10/44/56/323104456.db2.gz OJPPOPIHTMCVRI-UHFFFAOYSA-N 1 2 239.304 0.676 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)on1 ZINC000563237761 323105924 /nfs/dbraw/zinc/10/59/24/323105924.db2.gz ONVFKMXAXPECSC-SNVBAGLBSA-N 1 2 248.286 0.927 20 0 BCADLO C[C@H](CC(=O)NCc1ncc[nH]1)n1cc[nH+]c1 ZINC000563244351 323106573 /nfs/dbraw/zinc/10/65/73/323106573.db2.gz XIKWNSHRTFYMEO-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000563317332 323118905 /nfs/dbraw/zinc/11/89/05/323118905.db2.gz XZXGQAKSRUKCBJ-QWHCGFSZSA-N 1 2 245.282 0.877 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)CSC)C1CC1 ZINC000309972079 323122690 /nfs/dbraw/zinc/12/26/90/323122690.db2.gz PZRMUCGXZDBESY-KOLCDFICSA-N 1 2 247.360 0.642 20 0 BCADLO COC(=O)CC1([NH2+]Cc2cocn2)CC1 ZINC000563540617 323130123 /nfs/dbraw/zinc/13/01/23/323130123.db2.gz CYWSBOAYTHKMNX-UHFFFAOYSA-N 1 2 210.233 0.860 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000308125826 323130854 /nfs/dbraw/zinc/13/08/54/323130854.db2.gz AHOROUKWGSUEIJ-LLVKDONJSA-N 1 2 244.335 0.786 20 0 BCADLO CCCC[C@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000308125826 323130855 /nfs/dbraw/zinc/13/08/55/323130855.db2.gz AHOROUKWGSUEIJ-LLVKDONJSA-N 1 2 244.335 0.786 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)CCNC(C)=O ZINC000308165057 323132545 /nfs/dbraw/zinc/13/25/45/323132545.db2.gz QHDGVAZJQQJYMB-LLVKDONJSA-N 1 2 244.335 0.786 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)CCNC(C)=O ZINC000308165057 323132546 /nfs/dbraw/zinc/13/25/46/323132546.db2.gz QHDGVAZJQQJYMB-LLVKDONJSA-N 1 2 244.335 0.786 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN2C(=O)NC[C@@H]2C1 ZINC000563637089 323133372 /nfs/dbraw/zinc/13/33/72/323133372.db2.gz QPNRXLZSXNMMQJ-SNVBAGLBSA-N 1 2 247.302 0.307 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000248356983 323134588 /nfs/dbraw/zinc/13/45/88/323134588.db2.gz OZDYZXBGKFIGCJ-KCJUWKMLSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000248356983 323134589 /nfs/dbraw/zinc/13/45/89/323134589.db2.gz OZDYZXBGKFIGCJ-KCJUWKMLSA-N 1 2 241.291 0.734 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000571078197 323134908 /nfs/dbraw/zinc/13/49/08/323134908.db2.gz IUALTMKAIJMHEG-APPZFPTMSA-N 1 2 243.332 0.542 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC(OC(F)F)C1 ZINC000571391141 323143464 /nfs/dbraw/zinc/14/34/64/323143464.db2.gz SSBCCTWSAMSNKP-UHFFFAOYSA-N 1 2 245.229 0.792 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC(OC(F)F)C1 ZINC000571391141 323143465 /nfs/dbraw/zinc/14/34/65/323143465.db2.gz SSBCCTWSAMSNKP-UHFFFAOYSA-N 1 2 245.229 0.792 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN(C2CC2)C(=O)C1 ZINC000571461547 323145466 /nfs/dbraw/zinc/14/54/66/323145466.db2.gz LDUJOIFQTZLTJF-UHFFFAOYSA-N 1 2 246.314 0.904 20 0 BCADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CC(N)=O ZINC000049237281 323159356 /nfs/dbraw/zinc/15/93/56/323159356.db2.gz GIZRPPXIIKMULA-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC000049237281 323159357 /nfs/dbraw/zinc/15/93/57/323159357.db2.gz GIZRPPXIIKMULA-JTQLQIEISA-N 1 2 241.335 0.051 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000535025974 323163308 /nfs/dbraw/zinc/16/33/08/323163308.db2.gz NRYVXQFPEBDQTD-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](C)CO)c(C)c[nH+]1 ZINC000535060642 323164890 /nfs/dbraw/zinc/16/48/90/323164890.db2.gz FDTABSFHXCQOCO-VIFPVBQESA-N 1 2 223.276 0.623 20 0 BCADLO Cn1ccc(C[NH2+]CC(=O)NC(C)(C)C)n1 ZINC000112340284 323169214 /nfs/dbraw/zinc/16/92/14/323169214.db2.gz GAEFIEMEGWAVGJ-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO C[C@H](CNc1cccc[nH+]1)S(C)(=O)=O ZINC000306325595 323172829 /nfs/dbraw/zinc/17/28/29/323172829.db2.gz LRAVUFGDYQSXTC-MRVPVSSYSA-N 1 2 214.290 0.927 20 0 BCADLO Cn1cnc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000535513412 323173534 /nfs/dbraw/zinc/17/35/34/323173534.db2.gz IZXILVFADRWYOP-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2cc(C)on2)C1 ZINC000563820105 323179262 /nfs/dbraw/zinc/17/92/62/323179262.db2.gz CPVCZWNRGCPRQD-QMMMGPOBSA-N 1 2 223.276 0.864 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc(C2CC2)s1 ZINC000535788193 323191593 /nfs/dbraw/zinc/19/15/93/323191593.db2.gz QLWORTTZQFBVCD-UHFFFAOYSA-N 1 2 225.317 0.938 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc(C2CC2)s1 ZINC000535788193 323191594 /nfs/dbraw/zinc/19/15/94/323191594.db2.gz QLWORTTZQFBVCD-UHFFFAOYSA-N 1 2 225.317 0.938 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H](CO)C1 ZINC000528391599 323196654 /nfs/dbraw/zinc/19/66/54/323196654.db2.gz AFJCRNHPROLTJN-WWQRDVDESA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCO[C@H](CO)C1 ZINC000528391599 323196655 /nfs/dbraw/zinc/19/66/55/323196655.db2.gz AFJCRNHPROLTJN-WWQRDVDESA-N 1 2 205.685 0.822 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000528732130 323196701 /nfs/dbraw/zinc/19/67/01/323196701.db2.gz NZOMBKOOMFVMNX-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000528732130 323196702 /nfs/dbraw/zinc/19/67/02/323196702.db2.gz NZOMBKOOMFVMNX-NSHDSACASA-N 1 2 240.307 0.085 20 0 BCADLO C[C@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CO1 ZINC000527383532 323203951 /nfs/dbraw/zinc/20/39/51/323203951.db2.gz VMYQCRWFEHANLR-VHSXEESVSA-N 1 2 237.303 0.504 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245299 323245361 /nfs/dbraw/zinc/24/53/61/323245361.db2.gz NODVTLNSBMQCLD-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000043310743 323275023 /nfs/dbraw/zinc/27/50/23/323275023.db2.gz KVDBIYINSWXPSM-VIFPVBQESA-N 1 2 222.292 0.981 20 0 BCADLO O=C([C@@H]1CCCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000532937631 323398071 /nfs/dbraw/zinc/39/80/71/323398071.db2.gz SJFBKAXFXUMTJT-NSHDSACASA-N 1 2 235.287 0.836 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)CC(C)(CO)CO)n1 ZINC000677046337 487958028 /nfs/dbraw/zinc/95/80/28/487958028.db2.gz JHXOUZFWNNHWFS-QMMMGPOBSA-N 1 2 243.307 0.362 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)CC(C)(CO)CO)n1 ZINC000677046337 487958032 /nfs/dbraw/zinc/95/80/32/487958032.db2.gz JHXOUZFWNNHWFS-QMMMGPOBSA-N 1 2 243.307 0.362 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H](O)C1CCC1 ZINC000571775740 323479254 /nfs/dbraw/zinc/47/92/54/323479254.db2.gz GPSKLSFIDMAXPK-NSHDSACASA-N 1 2 237.303 0.680 20 0 BCADLO COC[C@@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000571845615 323484635 /nfs/dbraw/zinc/48/46/35/323484635.db2.gz IAOLNFFCJSTZPS-NSHDSACASA-N 1 2 237.303 0.945 20 0 BCADLO Cc1nnccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571821076 323486768 /nfs/dbraw/zinc/48/67/68/323486768.db2.gz ZOOJQJDOULXOET-MRVPVSSYSA-N 1 2 231.259 0.999 20 0 BCADLO CSC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000572300358 323590128 /nfs/dbraw/zinc/59/01/28/323590128.db2.gz SYPYXSXDMKREND-QMMMGPOBSA-N 1 2 213.306 0.751 20 0 BCADLO C[C@H](C[NH2+][C@H](C)c1nccn1C)S(C)(=O)=O ZINC000309805281 323607649 /nfs/dbraw/zinc/60/76/49/323607649.db2.gz XJALSYGDWXEMJI-RKDXNWHRSA-N 1 2 245.348 0.504 20 0 BCADLO Cc1nnccc1C(=O)NCCn1cc[nH+]c1 ZINC000677050184 487959895 /nfs/dbraw/zinc/95/98/95/487959895.db2.gz NDKLBBMXWSQANR-UHFFFAOYSA-N 1 2 231.259 0.412 20 0 BCADLO C[C@]1(CO)CN(c2cccc[nH+]2)C[C@@]1(C)CO ZINC000528200375 323778227 /nfs/dbraw/zinc/77/82/27/323778227.db2.gz JBFKDQVRYJVTGD-BETUJISGSA-N 1 2 236.315 0.899 20 0 BCADLO C[C@@H](O)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667249922 487961516 /nfs/dbraw/zinc/96/15/16/487961516.db2.gz CQVDAIHFYFWZAN-BDAKNGLRSA-N 1 2 240.307 0.551 20 0 BCADLO C[C@H](NC(=O)N(C)[C@@H](C)CO)c1[nH+]ccn1C ZINC000667250835 487962162 /nfs/dbraw/zinc/96/21/62/487962162.db2.gz XQNBKQHFXRBCSJ-IUCAKERBSA-N 1 2 240.307 0.503 20 0 BCADLO Cc1cc(NC(=O)NCCn2cc[nH+]c2)nn1C ZINC000122191962 324033039 /nfs/dbraw/zinc/03/30/39/324033039.db2.gz SUGDPGLKWLNKEB-UHFFFAOYSA-N 1 2 248.290 0.747 20 0 BCADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)on1 ZINC000123087499 324080896 /nfs/dbraw/zinc/08/08/96/324080896.db2.gz QMSIVGLPHLGYFW-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO COCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000537606071 324086053 /nfs/dbraw/zinc/08/60/53/324086053.db2.gz QYWHPYHUSNLDCI-UHFFFAOYSA-N 1 2 235.287 0.693 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000572479352 324120850 /nfs/dbraw/zinc/12/08/50/324120850.db2.gz UIBHIHQMQLBCDU-JTQLQIEISA-N 1 2 248.330 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000572479352 324120852 /nfs/dbraw/zinc/12/08/52/324120852.db2.gz UIBHIHQMQLBCDU-JTQLQIEISA-N 1 2 248.330 0.649 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@](C)(O)C1CC1 ZINC000572505580 324136005 /nfs/dbraw/zinc/13/60/05/324136005.db2.gz VYQGKEILZVWHRR-LBPRGKRZSA-N 1 2 237.303 0.240 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccncn1 ZINC000672146767 487962465 /nfs/dbraw/zinc/96/24/65/487962465.db2.gz BQYVODRKMPTSLW-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO COCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000517731368 324176646 /nfs/dbraw/zinc/17/66/46/324176646.db2.gz QLJALOPUVOQHBB-APPZFPTMSA-N 1 2 243.332 0.684 20 0 BCADLO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1nnn(C)n1 ZINC000398085366 324216792 /nfs/dbraw/zinc/21/67/92/324216792.db2.gz PPRXRBFMQCBUNH-JTQLQIEISA-N 1 2 249.322 0.221 20 0 BCADLO CNC(=O)NC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000529600717 324359812 /nfs/dbraw/zinc/35/98/12/324359812.db2.gz AHOJPKHLXOZDRL-UHFFFAOYSA-N 1 2 234.303 0.503 20 0 BCADLO CNC(=O)NC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000529642575 324369426 /nfs/dbraw/zinc/36/94/26/324369426.db2.gz GUMGANIJAQBGKD-VIFPVBQESA-N 1 2 245.298 0.118 20 0 BCADLO CNC(=O)NC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000529642573 324369527 /nfs/dbraw/zinc/36/95/27/324369527.db2.gz GUMGANIJAQBGKD-SECBINFHSA-N 1 2 245.298 0.118 20 0 BCADLO CNC(=O)NC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000529642573 324369531 /nfs/dbraw/zinc/36/95/31/324369531.db2.gz GUMGANIJAQBGKD-SECBINFHSA-N 1 2 245.298 0.118 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cn[nH]c1 ZINC000654791192 487964960 /nfs/dbraw/zinc/96/49/60/487964960.db2.gz BZIHHELPHJTMHD-VIFPVBQESA-N 1 2 247.302 0.970 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cn[nH]c1 ZINC000654791192 487964966 /nfs/dbraw/zinc/96/49/66/487964966.db2.gz BZIHHELPHJTMHD-VIFPVBQESA-N 1 2 247.302 0.970 20 0 BCADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000660377023 487964743 /nfs/dbraw/zinc/96/47/43/487964743.db2.gz AOOYRRJTMCIRNB-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H]1CO ZINC000660377023 487964747 /nfs/dbraw/zinc/96/47/47/487964747.db2.gz AOOYRRJTMCIRNB-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538932174 324814962 /nfs/dbraw/zinc/81/49/62/324814962.db2.gz OXHFZAAFZHVSLS-KOLCDFICSA-N 1 2 235.287 0.691 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC1 ZINC000682443960 487965949 /nfs/dbraw/zinc/96/59/49/487965949.db2.gz LQFGHQUXHCOHDW-VIFPVBQESA-N 1 2 205.261 0.678 20 0 BCADLO CCCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542053416 325006508 /nfs/dbraw/zinc/00/65/08/325006508.db2.gz ZBTOPYZHWPIJBE-UHFFFAOYSA-N 1 2 243.332 0.870 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ccon1 ZINC000130056835 325008325 /nfs/dbraw/zinc/00/83/25/325008325.db2.gz OGIAQYWZHWAVER-UHFFFAOYSA-N 1 2 220.232 0.691 20 0 BCADLO CCCCOCC(=O)NCCc1c[nH+]cn1C ZINC000543412343 325086681 /nfs/dbraw/zinc/08/66/81/325086681.db2.gz VUVVUGFEOYUYPF-UHFFFAOYSA-N 1 2 239.319 0.896 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1nc[nH]n1 ZINC000543705994 325102574 /nfs/dbraw/zinc/10/25/74/325102574.db2.gz PIVYVDNTPMHLEG-QMMMGPOBSA-N 1 2 249.278 0.062 20 0 BCADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1nnc[nH]1 ZINC000543705994 325102578 /nfs/dbraw/zinc/10/25/78/325102578.db2.gz PIVYVDNTPMHLEG-QMMMGPOBSA-N 1 2 249.278 0.062 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1CCC1 ZINC000544356576 325139409 /nfs/dbraw/zinc/13/94/09/325139409.db2.gz DJNXSKIFHCUAIH-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO CNC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674399 325164340 /nfs/dbraw/zinc/16/43/40/325164340.db2.gz FFNSWQUAGDMVJJ-UHFFFAOYSA-N 1 2 231.255 0.997 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000072861818 325178499 /nfs/dbraw/zinc/17/84/99/325178499.db2.gz UJWIQYYUKNAGLF-SNVBAGLBSA-N 1 2 213.325 0.149 20 0 BCADLO Cc1nccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000545179508 325183858 /nfs/dbraw/zinc/18/38/58/325183858.db2.gz YWPAZGZHXXPEBB-UHFFFAOYSA-N 1 2 246.274 0.803 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131817666 325185152 /nfs/dbraw/zinc/18/51/52/325185152.db2.gz RVAUQAFQDLRDMP-YPMHNXCESA-N 1 2 240.347 0.871 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000073515553 325202970 /nfs/dbraw/zinc/20/29/70/325202970.db2.gz VPHBLQYMHOIKJL-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)NC)CCO1 ZINC000132434116 325216772 /nfs/dbraw/zinc/21/67/72/325216772.db2.gz PKYXIMQVFZEDTK-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)NC)CCO1 ZINC000132434116 325216776 /nfs/dbraw/zinc/21/67/76/325216776.db2.gz PKYXIMQVFZEDTK-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000545980910 325253457 /nfs/dbraw/zinc/25/34/57/325253457.db2.gz PWDIBMROJDWOFW-VHSXEESVSA-N 1 2 249.270 0.076 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccno1 ZINC000546640097 325297367 /nfs/dbraw/zinc/29/73/67/325297367.db2.gz QUAZGLAGZLXLPK-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccno1 ZINC000546640097 325297370 /nfs/dbraw/zinc/29/73/70/325297370.db2.gz QUAZGLAGZLXLPK-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO CC[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000075624285 325304004 /nfs/dbraw/zinc/30/40/04/325304004.db2.gz WFLNVNMYIOATIU-CYBMUJFWSA-N 1 2 242.363 0.820 20 0 BCADLO CCOCc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000547208220 325332503 /nfs/dbraw/zinc/33/25/03/325332503.db2.gz QQGRBNJUQQOLFP-SECBINFHSA-N 1 2 240.307 0.524 20 0 BCADLO Cn1cnc(-c2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000547257514 325334096 /nfs/dbraw/zinc/33/40/96/325334096.db2.gz KCISUPJKCRAIJB-UHFFFAOYSA-N 1 2 244.258 0.794 20 0 BCADLO CC(C)[C@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000547483835 325361842 /nfs/dbraw/zinc/36/18/42/325361842.db2.gz BITGEKXCOYRMJJ-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000547539889 325369724 /nfs/dbraw/zinc/36/97/24/325369724.db2.gz IACLKRBPZVSXPA-IUCAKERBSA-N 1 2 225.292 0.096 20 0 BCADLO 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/nfs/dbraw/zinc/01/78/38/488017838.db2.gz MFQRKQZBYJICAR-SNVBAGLBSA-N 1 2 242.344 0.687 20 0 BCADLO Cc1ncsc1CC[N@H+]1CCOC[C@H]1CO ZINC000159273280 488017844 /nfs/dbraw/zinc/01/78/44/488017844.db2.gz MFQRKQZBYJICAR-SNVBAGLBSA-N 1 2 242.344 0.687 20 0 BCADLO CCCn1nccc1C[N@H+](C)CC(=O)N(C)C ZINC000667481269 488023241 /nfs/dbraw/zinc/02/32/41/488023241.db2.gz NGUOILRFNQTNSB-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCCn1nccc1C[N@@H+](C)CC(=O)N(C)C ZINC000667481269 488023245 /nfs/dbraw/zinc/02/32/45/488023245.db2.gz NGUOILRFNQTNSB-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO Cn1ncc(C2CCC2)c1C[N@H+](C)CC(N)=O ZINC000667495968 488028227 /nfs/dbraw/zinc/02/82/27/488028227.db2.gz CZYQEWZKPDOVDU-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO Cn1ncc(C2CCC2)c1C[N@@H+](C)CC(N)=O ZINC000667495968 488028231 /nfs/dbraw/zinc/02/82/31/488028231.db2.gz CZYQEWZKPDOVDU-UHFFFAOYSA-N 1 2 236.319 0.605 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)c1ccnnc1 ZINC000677402684 488029272 /nfs/dbraw/zinc/02/92/72/488029272.db2.gz CLWBFVYAZWSHRW-UHFFFAOYSA-N 1 2 245.286 0.883 20 0 BCADLO C[C@H](O)CCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682776455 488037906 /nfs/dbraw/zinc/03/79/06/488037906.db2.gz NYGKHRKFNTZBCH-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H](O)CCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682776455 488037911 /nfs/dbraw/zinc/03/79/11/488037911.db2.gz NYGKHRKFNTZBCH-DTWKUNHWSA-N 1 2 223.263 0.849 20 0 BCADLO CCc1nc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000355086703 488039353 /nfs/dbraw/zinc/03/93/53/488039353.db2.gz KKLVUQDLPNUJMQ-ZJUUUORDSA-N 1 2 237.351 0.892 20 0 BCADLO CCc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000355086703 488039356 /nfs/dbraw/zinc/03/93/56/488039356.db2.gz KKLVUQDLPNUJMQ-ZJUUUORDSA-N 1 2 237.351 0.892 20 0 BCADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000682783651 488040634 /nfs/dbraw/zinc/04/06/34/488040634.db2.gz IERQGFWYRVRFLG-RYUDHWBXSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000682783651 488040638 /nfs/dbraw/zinc/04/06/38/488040638.db2.gz IERQGFWYRVRFLG-RYUDHWBXSA-N 1 2 249.314 0.980 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(N(C)C)nc1 ZINC000682791063 488042117 /nfs/dbraw/zinc/04/21/17/488042117.db2.gz OHYCYDOMQCINQN-UHFFFAOYSA-N 1 2 236.319 0.455 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)nc1 ZINC000682791063 488042122 /nfs/dbraw/zinc/04/21/22/488042122.db2.gz OHYCYDOMQCINQN-UHFFFAOYSA-N 1 2 236.319 0.455 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@H](O)C1 ZINC000656119030 488050630 /nfs/dbraw/zinc/05/06/30/488050630.db2.gz PCSSSLNPGNSJAF-MRVPVSSYSA-N 1 2 209.249 0.365 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@H](O)C1 ZINC000656119031 488050385 /nfs/dbraw/zinc/05/03/85/488050385.db2.gz PCSSSLNPGNSJAF-QMMMGPOBSA-N 1 2 209.249 0.365 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651815 488074638 /nfs/dbraw/zinc/07/46/38/488074638.db2.gz JRYQOOABZGWPBU-NSHDSACASA-N 1 2 249.314 0.887 20 0 BCADLO CC[C@@]1(NC(=O)CCn2cc[nH+]c2)CCOC1 ZINC000682978241 488077836 /nfs/dbraw/zinc/07/78/36/488077836.db2.gz VENVYOFRLGZKIJ-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@H](CO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000671285660 488078335 /nfs/dbraw/zinc/07/83/35/488078335.db2.gz FDKHHYHHIQJMNR-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO CC[C@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOC1 ZINC000682980749 488078607 /nfs/dbraw/zinc/07/86/07/488078607.db2.gz YCZXZBRYAKYLKE-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000682980749 488078612 /nfs/dbraw/zinc/07/86/12/488078612.db2.gz YCZXZBRYAKYLKE-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOC1 ZINC000682980752 488078735 /nfs/dbraw/zinc/07/87/35/488078735.db2.gz YCZXZBRYAKYLKE-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000682980752 488078737 /nfs/dbraw/zinc/07/87/37/488078737.db2.gz YCZXZBRYAKYLKE-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)[C@@H]1C[N@H+](C)CCO1 ZINC000677583006 488079443 /nfs/dbraw/zinc/07/94/43/488079443.db2.gz SOSVEYOLKKLMTE-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1cnco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677583006 488079448 /nfs/dbraw/zinc/07/94/48/488079448.db2.gz SOSVEYOLKKLMTE-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCNC1=O ZINC000667679650 488085185 /nfs/dbraw/zinc/08/51/85/488085185.db2.gz KZJUMCYDCIRLCK-SSDOTTSWSA-N 1 2 235.243 0.165 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cc(C)ccn1 ZINC000683005626 488086667 /nfs/dbraw/zinc/08/66/67/488086667.db2.gz YEBTVZQYKGKGAV-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)ccn1 ZINC000683005626 488086671 /nfs/dbraw/zinc/08/66/71/488086671.db2.gz YEBTVZQYKGKGAV-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000092256931 488088448 /nfs/dbraw/zinc/08/84/48/488088448.db2.gz YIEMDVUMZSIMDG-JTQLQIEISA-N 1 2 213.281 0.157 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000092256931 488088452 /nfs/dbraw/zinc/08/84/52/488088452.db2.gz YIEMDVUMZSIMDG-JTQLQIEISA-N 1 2 213.281 0.157 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCOC[C@H]1CO ZINC000670090606 488089210 /nfs/dbraw/zinc/08/92/10/488089210.db2.gz MAPXPUPETKRLPP-GFCCVEGCSA-N 1 2 239.319 0.139 20 0 BCADLO CCn1nccc1CC[N@H+]1CCOC[C@H]1CO ZINC000670090606 488089213 /nfs/dbraw/zinc/08/92/13/488089213.db2.gz MAPXPUPETKRLPP-GFCCVEGCSA-N 1 2 239.319 0.139 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683016710 488093619 /nfs/dbraw/zinc/09/36/19/488093619.db2.gz DSAIBNUSDNAVQQ-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677691515 488093942 /nfs/dbraw/zinc/09/39/42/488093942.db2.gz UWUHNFJVLISNDF-AOOOYVTPSA-N 1 2 238.287 0.480 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677691515 488093943 /nfs/dbraw/zinc/09/39/43/488093943.db2.gz UWUHNFJVLISNDF-AOOOYVTPSA-N 1 2 238.287 0.480 20 0 BCADLO C[N@H+](Cc1ccnn1CC1CC1)[C@H]1CCNC1=O ZINC000667710489 488097256 /nfs/dbraw/zinc/09/72/56/488097256.db2.gz GMFLJFJCRBDFJE-LBPRGKRZSA-N 1 2 248.330 0.613 20 0 BCADLO C[N@@H+](Cc1ccnn1CC1CC1)[C@H]1CCNC1=O ZINC000667710489 488097259 /nfs/dbraw/zinc/09/72/59/488097259.db2.gz GMFLJFJCRBDFJE-LBPRGKRZSA-N 1 2 248.330 0.613 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C ZINC000671920526 488097079 /nfs/dbraw/zinc/09/70/79/488097079.db2.gz NLCGICSJJZWJIE-BBBLOLIVSA-N 1 2 212.293 0.232 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]1C ZINC000671920526 488097085 /nfs/dbraw/zinc/09/70/85/488097085.db2.gz NLCGICSJJZWJIE-BBBLOLIVSA-N 1 2 212.293 0.232 20 0 BCADLO C[N@H+](Cc1cnn2c1CCC2)[C@@H]1CCNC1=O ZINC000667710848 488097946 /nfs/dbraw/zinc/09/79/46/488097946.db2.gz QCNZZWSEZJGKOB-LLVKDONJSA-N 1 2 234.303 0.150 20 0 BCADLO C[N@@H+](Cc1cnn2c1CCC2)[C@@H]1CCNC1=O ZINC000667710848 488097950 /nfs/dbraw/zinc/09/79/50/488097950.db2.gz QCNZZWSEZJGKOB-LLVKDONJSA-N 1 2 234.303 0.150 20 0 BCADLO C[N@H+](Cc1cnn2c1CCC2)[C@H]1CCNC1=O ZINC000667710849 488097744 /nfs/dbraw/zinc/09/77/44/488097744.db2.gz QCNZZWSEZJGKOB-NSHDSACASA-N 1 2 234.303 0.150 20 0 BCADLO C[N@@H+](Cc1cnn2c1CCC2)[C@H]1CCNC1=O ZINC000667710849 488097753 /nfs/dbraw/zinc/09/77/53/488097753.db2.gz QCNZZWSEZJGKOB-NSHDSACASA-N 1 2 234.303 0.150 20 0 BCADLO Cc1ccnc(C[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000683023855 488099553 /nfs/dbraw/zinc/09/95/53/488099553.db2.gz YQLNCPZIZMKKPL-CYBMUJFWSA-N 1 2 246.314 0.947 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000229009927 488099777 /nfs/dbraw/zinc/09/97/77/488099777.db2.gz QHGPEHHDMDKRNW-VIFPVBQESA-N 1 2 239.323 0.301 20 0 BCADLO CCCn1nccc1C[NH2+]Cc1cn(C)nn1 ZINC000389825229 488114880 /nfs/dbraw/zinc/11/48/80/488114880.db2.gz PTXSCLABGOYXHO-UHFFFAOYSA-N 1 2 234.307 0.711 20 0 BCADLO COc1cccc(C[NH2+]Cc2cn(C)nn2)n1 ZINC000389838378 488117266 /nfs/dbraw/zinc/11/72/66/488117266.db2.gz RXYJRUPPPMCXSW-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO CC(C)OCC[N@H+](C)Cc1cn(C)nn1 ZINC000677762204 488119052 /nfs/dbraw/zinc/11/90/52/488119052.db2.gz FXPFHWOMLKFOMD-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)OCC[N@@H+](C)Cc1cn(C)nn1 ZINC000677762204 488119058 /nfs/dbraw/zinc/11/90/58/488119058.db2.gz FXPFHWOMLKFOMD-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC000677764998 488119897 /nfs/dbraw/zinc/11/98/97/488119897.db2.gz BDMDQIDBBYGUOR-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC000677764998 488119901 /nfs/dbraw/zinc/11/99/01/488119901.db2.gz BDMDQIDBBYGUOR-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO CN(C)c1ccc(C[N@H+](C)CC(N)=O)cn1 ZINC000677802078 488124355 /nfs/dbraw/zinc/12/43/55/488124355.db2.gz MDUCTZHWWJHNER-UHFFFAOYSA-N 1 2 222.292 0.065 20 0 BCADLO CN(C)c1ccc(C[N@@H+](C)CC(N)=O)cn1 ZINC000677802078 488124363 /nfs/dbraw/zinc/12/43/63/488124363.db2.gz MDUCTZHWWJHNER-UHFFFAOYSA-N 1 2 222.292 0.065 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000674694295 488125480 /nfs/dbraw/zinc/12/54/80/488125480.db2.gz LSLQGJIRRWHEFG-PHIMTYICSA-N 1 2 243.253 0.892 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000674694295 488125490 /nfs/dbraw/zinc/12/54/90/488125490.db2.gz LSLQGJIRRWHEFG-PHIMTYICSA-N 1 2 243.253 0.892 20 0 BCADLO CCCCNC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000677803123 488126071 /nfs/dbraw/zinc/12/60/71/488126071.db2.gz ZTLDWZIMQTWXHK-UHFFFAOYSA-N 1 2 224.308 0.758 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667425747 487540176 /nfs/dbraw/zinc/54/01/76/487540176.db2.gz MSNOLHMKKKIQOI-ZETCQYMHSA-N 1 2 231.259 0.876 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667425747 487540181 /nfs/dbraw/zinc/54/01/81/487540181.db2.gz MSNOLHMKKKIQOI-ZETCQYMHSA-N 1 2 231.259 0.876 20 0 BCADLO CN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188685609 487542064 /nfs/dbraw/zinc/54/20/64/487542064.db2.gz DCXRSHDEMFVTSX-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC=CC2)C1 ZINC000655222480 487543958 /nfs/dbraw/zinc/54/39/58/487543958.db2.gz CGVKQWZKRQXUDG-SNVBAGLBSA-N 1 2 224.304 0.542 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC=CC2)C1 ZINC000655222480 487543963 /nfs/dbraw/zinc/54/39/63/487543963.db2.gz CGVKQWZKRQXUDG-SNVBAGLBSA-N 1 2 224.304 0.542 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000668791698 487545110 /nfs/dbraw/zinc/54/51/10/487545110.db2.gz WMHJIEGAZAUHEF-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000668791698 487545117 /nfs/dbraw/zinc/54/51/17/487545117.db2.gz WMHJIEGAZAUHEF-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CCCn1cc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791507 487545478 /nfs/dbraw/zinc/54/54/78/487545478.db2.gz NKYYGERZURCESJ-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CCCn1cc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791507 487545483 /nfs/dbraw/zinc/54/54/83/487545483.db2.gz NKYYGERZURCESJ-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1CCC1 ZINC000570290984 487530060 /nfs/dbraw/zinc/53/00/60/487530060.db2.gz BOYWINYLQIJWIF-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000685569294 487549950 /nfs/dbraw/zinc/54/99/50/487549950.db2.gz GNCCCOPCGNGECW-VIFPVBQESA-N 1 2 223.276 0.612 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000685569294 487549956 /nfs/dbraw/zinc/54/99/56/487549956.db2.gz GNCCCOPCGNGECW-VIFPVBQESA-N 1 2 223.276 0.612 20 0 BCADLO C[C@@H](NC(=O)NC[C@H](C)CO)c1[nH+]ccn1C ZINC000665839739 487551288 /nfs/dbraw/zinc/55/12/88/487551288.db2.gz QZULWSJLOHEYJM-DTWKUNHWSA-N 1 2 240.307 0.409 20 0 BCADLO CCn1nccc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000685468877 487532177 /nfs/dbraw/zinc/53/21/77/487532177.db2.gz DRWSBQKUUOWBNH-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1nccc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000685468877 487532181 /nfs/dbraw/zinc/53/21/81/487532181.db2.gz DRWSBQKUUOWBNH-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO COc1nccnc1C[N@H+](C)C1(CO)CC1 ZINC000668798252 487556594 /nfs/dbraw/zinc/55/65/94/487556594.db2.gz MRLDGFYPDKLLKY-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO COc1nccnc1C[N@@H+](C)C1(CO)CC1 ZINC000668798252 487556597 /nfs/dbraw/zinc/55/65/97/487556597.db2.gz MRLDGFYPDKLLKY-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC000668787750 487532581 /nfs/dbraw/zinc/53/25/81/487532581.db2.gz HEJNHXMIEUUTHA-UHFFFAOYSA-N 1 2 234.303 0.532 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000668787750 487532585 /nfs/dbraw/zinc/53/25/85/487532585.db2.gz HEJNHXMIEUUTHA-UHFFFAOYSA-N 1 2 234.303 0.532 20 0 BCADLO CO[C@@H](C)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000679855130 487474022 /nfs/dbraw/zinc/47/40/22/487474022.db2.gz RCIPNJKVFSSOFC-NWDGAFQWSA-N 1 2 228.336 0.428 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cocn1)CC2 ZINC000679894233 487482971 /nfs/dbraw/zinc/48/29/71/487482971.db2.gz MRWQIILRTNGEHI-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668224988 487483682 /nfs/dbraw/zinc/48/36/82/487483682.db2.gz BLGUUSJRLIVFBC-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668224988 487483690 /nfs/dbraw/zinc/48/36/90/487483690.db2.gz BLGUUSJRLIVFBC-BXKDBHETSA-N 1 2 236.319 0.958 20 0 BCADLO Cc1cn2c(n1)CN(Cc1[nH+]ccn1C)CC2 ZINC000679867470 487477591 /nfs/dbraw/zinc/47/75/91/487477591.db2.gz CSPFQYJASKDARJ-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nc[nH]n1 ZINC000673917475 487477686 /nfs/dbraw/zinc/47/76/86/487477686.db2.gz KMNXHAGKEXUAOX-DTWKUNHWSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1nc[nH]n1 ZINC000673917475 487477688 /nfs/dbraw/zinc/47/76/88/487477688.db2.gz KMNXHAGKEXUAOX-DTWKUNHWSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nnc[nH]1 ZINC000673917475 487477692 /nfs/dbraw/zinc/47/76/92/487477692.db2.gz KMNXHAGKEXUAOX-DTWKUNHWSA-N 1 2 237.307 0.466 20 0 BCADLO Cc1cn2c(n1)C[N@H+](C[C@@H](C)CO)CC2 ZINC000679867477 487477846 /nfs/dbraw/zinc/47/78/46/487477846.db2.gz DBEAOXUYGUTXEJ-SECBINFHSA-N 1 2 209.293 0.636 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](C[C@@H](C)CO)CC2 ZINC000679867477 487477848 /nfs/dbraw/zinc/47/78/48/487477848.db2.gz DBEAOXUYGUTXEJ-SECBINFHSA-N 1 2 209.293 0.636 20 0 BCADLO C[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)[NH+](C)C ZINC000680596790 487480101 /nfs/dbraw/zinc/48/01/01/487480101.db2.gz ADYOXMYYZGTJKA-ZETCQYMHSA-N 1 2 237.307 0.961 20 0 BCADLO C[C@@H](C(=O)Nc1nnc(C2CCC2)[nH]1)[NH+](C)C ZINC000680596790 487480112 /nfs/dbraw/zinc/48/01/12/487480112.db2.gz ADYOXMYYZGTJKA-ZETCQYMHSA-N 1 2 237.307 0.961 20 0 BCADLO C[N@H+](CC(=O)N1CCCCC1)Cc1cn[nH]c1 ZINC000673928152 487485194 /nfs/dbraw/zinc/48/51/94/487485194.db2.gz ZSCFDPYNXNYXNN-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1cn[nH]c1 ZINC000673928152 487485196 /nfs/dbraw/zinc/48/51/96/487485196.db2.gz ZSCFDPYNXNYXNN-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000673943896 487488683 /nfs/dbraw/zinc/48/86/83/487488683.db2.gz APWIYPDDVZMZOV-QMMMGPOBSA-N 1 2 238.291 0.249 20 0 BCADLO O=C([C@H](O)C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000668758711 487492365 /nfs/dbraw/zinc/49/23/65/487492365.db2.gz FYFCDHXUHOAVSF-SNVBAGLBSA-N 1 2 221.260 0.037 20 0 BCADLO CCc1nnc(C[N@H+](C)CCCO)s1 ZINC000685046417 487496728 /nfs/dbraw/zinc/49/67/28/487496728.db2.gz YXDCFRJLWGAVGO-UHFFFAOYSA-N 1 2 215.322 0.915 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCCO)s1 ZINC000685046417 487496733 /nfs/dbraw/zinc/49/67/33/487496733.db2.gz YXDCFRJLWGAVGO-UHFFFAOYSA-N 1 2 215.322 0.915 20 0 BCADLO CCNC(=O)C1CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668231494 487497627 /nfs/dbraw/zinc/49/76/27/487497627.db2.gz AATCFIGMINSMRS-UHFFFAOYSA-N 1 2 248.330 0.397 20 0 BCADLO C[C@H](c1nnnn1C1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000685412175 487516276 /nfs/dbraw/zinc/51/62/76/487516276.db2.gz UDZOPGFVNOZZFR-MRVPVSSYSA-N 1 2 247.306 0.924 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cc(C)no2)C1 ZINC000685414453 487517108 /nfs/dbraw/zinc/51/71/08/487517108.db2.gz OPYRDDILIUGPSB-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000685441559 487523194 /nfs/dbraw/zinc/52/31/94/487523194.db2.gz MQCJPYXEWMGHSW-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000685441559 487523197 /nfs/dbraw/zinc/52/31/97/487523197.db2.gz MQCJPYXEWMGHSW-VXGBXAGGSA-N 1 2 237.303 0.790 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NC1CCCC1 ZINC000685615719 487566145 /nfs/dbraw/zinc/56/61/45/487566145.db2.gz YCFDTTAPVVGKQX-UHFFFAOYSA-N 1 2 236.319 0.867 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NC1CCCC1 ZINC000685615719 487566141 /nfs/dbraw/zinc/56/61/41/487566141.db2.gz YCFDTTAPVVGKQX-UHFFFAOYSA-N 1 2 236.319 0.867 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000685618630 487566038 /nfs/dbraw/zinc/56/60/38/487566038.db2.gz LZAAJLJDEYRCEZ-PWSUYJOCSA-N 1 2 238.335 0.527 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)[C@H]1CCCOC1 ZINC000681358306 487783717 /nfs/dbraw/zinc/78/37/17/487783717.db2.gz XEJOTXBOEWNVOH-JTQLQIEISA-N 1 2 249.314 0.935 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CO[C@@H](C)C1)CC2 ZINC000682233150 487932483 /nfs/dbraw/zinc/93/24/83/487932483.db2.gz YTCMABFAMHUFAJ-QWRGUYRKSA-N 1 2 249.314 0.959 20 0 BCADLO Cc1cc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nc[nH+]1 ZINC000682474200 487968884 /nfs/dbraw/zinc/96/88/84/487968884.db2.gz WANOBKYQJHKOOS-NHCYSSNCSA-N 1 2 246.314 0.875 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(F)(F)C1 ZINC000682527826 487977267 /nfs/dbraw/zinc/97/72/67/487977267.db2.gz KHRIHEDHBKBFHZ-MRVPVSSYSA-N 1 2 241.241 0.923 20 0 BCADLO COC[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134902881 488004729 /nfs/dbraw/zinc/00/47/29/488004729.db2.gz ZGZLMUHTCSJBRI-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO COC[C@@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000134902881 488004731 /nfs/dbraw/zinc/00/47/31/488004731.db2.gz ZGZLMUHTCSJBRI-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000309206959 488036824 /nfs/dbraw/zinc/03/68/24/488036824.db2.gz MTXLPNWXMYLHNT-SSDOTTSWSA-N 1 2 219.248 0.932 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCNC(=O)CC1 ZINC000667599241 488055781 /nfs/dbraw/zinc/05/57/81/488055781.db2.gz PNONCFLTNWMYGH-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO CCCn1nccc1C[N@H+]1CCNC(=O)CC1 ZINC000667599241 488055785 /nfs/dbraw/zinc/05/57/85/488055785.db2.gz PNONCFLTNWMYGH-UHFFFAOYSA-N 1 2 236.319 0.615 20 0 BCADLO O=C1CCN(Cc2c[nH+]c3n2CCC3)CCN1 ZINC000667597859 488055870 /nfs/dbraw/zinc/05/58/70/488055870.db2.gz BEFCWSCVVMJHCQ-UHFFFAOYSA-N 1 2 234.303 0.151 20 0 BCADLO O=C(c1cnco1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000677535656 488067179 /nfs/dbraw/zinc/06/71/79/488067179.db2.gz OHPAUTPUDGEJTB-UHFFFAOYSA-N 1 2 245.238 0.973 20 0 BCADLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N3)ccc2[nH+]1 ZINC000667861616 488141115 /nfs/dbraw/zinc/14/11/15/488141115.db2.gz WSHHVQPOVOXFJZ-VIFPVBQESA-N 1 2 244.254 0.470 20 0 BCADLO Cc1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000672240155 488145423 /nfs/dbraw/zinc/14/54/23/488145423.db2.gz AFAYEEORTIZZFG-JTQLQIEISA-N 1 2 238.291 0.289 20 0 BCADLO CC1CC(=O)N(Cc2ccc[nH+]c2N)C(=O)C1 ZINC000093356825 488151745 /nfs/dbraw/zinc/15/17/45/488151745.db2.gz DMNGNDPUQLHWMX-UHFFFAOYSA-N 1 2 233.271 0.949 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1 ZINC000339355161 488152799 /nfs/dbraw/zinc/15/27/99/488152799.db2.gz AMTNHJWJYICVGY-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1 ZINC000339355161 488152804 /nfs/dbraw/zinc/15/28/04/488152804.db2.gz AMTNHJWJYICVGY-NSHDSACASA-N 1 2 240.278 0.758 20 0 BCADLO C[N@H+](Cc1csnn1)CC(C)(C)CO ZINC000660669751 488156216 /nfs/dbraw/zinc/15/62/16/488156216.db2.gz BJHCSJNZKICVDX-UHFFFAOYSA-N 1 2 215.322 0.988 20 0 BCADLO C[N@@H+](Cc1csnn1)CC(C)(C)CO ZINC000660669751 488156220 /nfs/dbraw/zinc/15/62/20/488156220.db2.gz BJHCSJNZKICVDX-UHFFFAOYSA-N 1 2 215.322 0.988 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cnco1 ZINC000677921553 488157466 /nfs/dbraw/zinc/15/74/66/488157466.db2.gz GYXXBKDDQDAKMJ-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cnco1 ZINC000677921553 488157471 /nfs/dbraw/zinc/15/74/71/488157471.db2.gz GYXXBKDDQDAKMJ-SSDOTTSWSA-N 1 2 232.243 0.685 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667978146 488173812 /nfs/dbraw/zinc/17/38/12/488173812.db2.gz WFMZWNZPGWCFMU-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667978146 488173815 /nfs/dbraw/zinc/17/38/15/488173815.db2.gz WFMZWNZPGWCFMU-VIFPVBQESA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000683485363 488174427 /nfs/dbraw/zinc/17/44/27/488174427.db2.gz QRQAJQFFZLYAGE-BDAKNGLRSA-N 1 2 238.291 0.397 20 0 BCADLO Cc1[nH+]cc(CN(C)C2CC(O)C2)n1C ZINC000667986762 488176956 /nfs/dbraw/zinc/17/69/56/488176956.db2.gz LSUQODBBHVOOPR-UHFFFAOYSA-N 1 2 209.293 0.684 20 0 BCADLO CCCn1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000678041033 488177631 /nfs/dbraw/zinc/17/76/31/488177631.db2.gz CROCQKNMZWRLKD-UHFFFAOYSA-N 1 2 248.290 0.683 20 0 BCADLO OCC(F)(F)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667995992 488179241 /nfs/dbraw/zinc/17/92/41/488179241.db2.gz AKQIEOMYXLBTJB-DTWKUNHWSA-N 1 2 221.247 0.771 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCn1ccccc1=O ZINC000678084438 488194049 /nfs/dbraw/zinc/19/40/49/488194049.db2.gz PTDICGKBIQYXIC-UHFFFAOYSA-N 1 2 246.314 0.714 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCn1ccccc1=O ZINC000678084438 488194054 /nfs/dbraw/zinc/19/40/54/488194054.db2.gz PTDICGKBIQYXIC-UHFFFAOYSA-N 1 2 246.314 0.714 20 0 BCADLO CN(CCn1ccccc1=O)Cc1[nH+]ccn1C ZINC000678084438 488194058 /nfs/dbraw/zinc/19/40/58/488194058.db2.gz PTDICGKBIQYXIC-UHFFFAOYSA-N 1 2 246.314 0.714 20 0 BCADLO Cc1[nH]c(C(=O)NC2(CO)CCC2)c[nH+]1 ZINC000678092200 488195544 /nfs/dbraw/zinc/19/55/44/488195544.db2.gz CPQZHUSYRBKWEJ-UHFFFAOYSA-N 1 2 209.249 0.363 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000678171799 488211291 /nfs/dbraw/zinc/21/12/91/488211291.db2.gz LKIOZFKJJLJFFQ-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000678171799 488211293 /nfs/dbraw/zinc/21/12/93/488211293.db2.gz LKIOZFKJJLJFFQ-VXNVDRBHSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000678171791 488211741 /nfs/dbraw/zinc/21/17/41/488211741.db2.gz LKIOZFKJJLJFFQ-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000678171791 488211746 /nfs/dbraw/zinc/21/17/46/488211746.db2.gz LKIOZFKJJLJFFQ-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO CCc1nocc1C(=O)NCc1[nH+]ccn1C ZINC000668193447 488219907 /nfs/dbraw/zinc/21/99/07/488219907.db2.gz FCBCQBSQCPGUPT-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO COCn1ccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000668193691 488220150 /nfs/dbraw/zinc/22/01/50/488220150.db2.gz MMGAOAHFXWQGNJ-UHFFFAOYSA-N 1 2 249.274 0.151 20 0 BCADLO Cn1nnc(CNCc2c[nH+]c3ccccn23)n1 ZINC000683779167 488220465 /nfs/dbraw/zinc/22/04/65/488220465.db2.gz ZGTKUTOMOSUVTH-UHFFFAOYSA-N 1 2 243.274 0.148 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000678223433 488220577 /nfs/dbraw/zinc/22/05/77/488220577.db2.gz GRGJXDXWUZNWBM-JTQLQIEISA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000678223433 488220580 /nfs/dbraw/zinc/22/05/80/488220580.db2.gz GRGJXDXWUZNWBM-JTQLQIEISA-N 1 2 220.276 0.216 20 0 BCADLO c1n[nH]cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000678226618 488222009 /nfs/dbraw/zinc/22/20/09/488222009.db2.gz IMOLNAJDRBHDLU-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n[nH]1 ZINC000668211061 488226696 /nfs/dbraw/zinc/22/66/96/488226696.db2.gz VIKFCJTYFXYRCE-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[nH]1 ZINC000668211061 488226699 /nfs/dbraw/zinc/22/66/99/488226699.db2.gz VIKFCJTYFXYRCE-HTQZYQBOSA-N 1 2 246.274 0.589 20 0 BCADLO C[C@H]([C@H](C)[N@H+](C)Cc1cn[nH]c1)S(C)(=O)=O ZINC000678266796 488230195 /nfs/dbraw/zinc/23/01/95/488230195.db2.gz KYBKWVSHPUWDHL-DTWKUNHWSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@H](C)[N@@H+](C)Cc1cn[nH]c1)S(C)(=O)=O ZINC000678266796 488230197 /nfs/dbraw/zinc/23/01/97/488230197.db2.gz KYBKWVSHPUWDHL-DTWKUNHWSA-N 1 2 245.348 0.663 20 0 BCADLO CC(C)(O)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000683849792 488231666 /nfs/dbraw/zinc/23/16/66/488231666.db2.gz BNZBFUVAXDKZGW-UHFFFAOYSA-N 1 2 211.265 0.577 20 0 BCADLO CC(C)(O)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000683854880 488232142 /nfs/dbraw/zinc/23/21/42/488232142.db2.gz ZBDYNLSFMWEGCY-UHFFFAOYSA-N 1 2 211.265 0.577 20 0 BCADLO CC(C)(O)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000683854880 488232144 /nfs/dbraw/zinc/23/21/44/488232144.db2.gz ZBDYNLSFMWEGCY-UHFFFAOYSA-N 1 2 211.265 0.577 20 0 BCADLO NC(=O)CCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683851045 488232160 /nfs/dbraw/zinc/23/21/60/488232160.db2.gz MWPMHWAQXIBLDX-UHFFFAOYSA-N 1 2 246.270 0.928 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000683898544 488240133 /nfs/dbraw/zinc/24/01/33/488240133.db2.gz MJLPPKFWDIEFBD-UHFFFAOYSA-N 1 2 225.292 0.811 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000683898544 488240134 /nfs/dbraw/zinc/24/01/34/488240134.db2.gz MJLPPKFWDIEFBD-UHFFFAOYSA-N 1 2 225.292 0.811 20 0 BCADLO C[C@H](CS(C)(=O)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000683897953 488240472 /nfs/dbraw/zinc/24/04/72/488240472.db2.gz JWZMCOVJMDCVQY-SECBINFHSA-N 1 2 245.348 0.285 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000672146229 488240790 /nfs/dbraw/zinc/24/07/90/488240790.db2.gz GCFWNQSETRCVLD-GXSJLCMTSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)no1 ZINC000672147023 488240869 /nfs/dbraw/zinc/24/08/69/488240869.db2.gz XBTITAXJAVPGEJ-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cc1ocnc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148406 488240903 /nfs/dbraw/zinc/24/09/03/488240903.db2.gz NJFNMVVQIBZYES-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148563 488240952 /nfs/dbraw/zinc/24/09/52/488240952.db2.gz RJVRCJJABRCHTN-GXSJLCMTSA-N 1 2 237.303 0.739 20 0 BCADLO COCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145725 488241017 /nfs/dbraw/zinc/24/10/17/488241017.db2.gz PVBSKUQSTINKEF-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCCO1 ZINC000672149184 488241532 /nfs/dbraw/zinc/24/15/32/488241532.db2.gz IKAUCISUCNPIDZ-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCOC1 ZINC000672152424 488241591 /nfs/dbraw/zinc/24/15/91/488241591.db2.gz KBQFRKQJLGHGOB-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000678337096 488241869 /nfs/dbraw/zinc/24/18/69/488241869.db2.gz BACAMYXVHSMDDG-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000678337096 488241872 /nfs/dbraw/zinc/24/18/72/488241872.db2.gz BACAMYXVHSMDDG-NWDGAFQWSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)CO1 ZINC000672149895 488242156 /nfs/dbraw/zinc/24/21/56/488242156.db2.gz ZWFNNGFJZCWPQG-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1nccc(C(=O)NC2C[NH+](C(C)C)C2)n1 ZINC000683903626 488242542 /nfs/dbraw/zinc/24/25/42/488242542.db2.gz FZDHSTCANLTCTJ-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[nH]n1 ZINC000672156398 488242633 /nfs/dbraw/zinc/24/26/33/488242633.db2.gz LCGNMQZUKKJVGZ-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO CCc1cc(N(C)CCC(N)=O)nc[nH+]1 ZINC000672337093 488252492 /nfs/dbraw/zinc/25/24/92/488252492.db2.gz OIGUNSZTSSAERN-UHFFFAOYSA-N 1 2 208.265 0.351 20 0 BCADLO C[C@H](O)CCCNC(=O)CCCn1cc[nH+]c1 ZINC000684064790 488259170 /nfs/dbraw/zinc/25/91/70/488259170.db2.gz MQECFYCTMISFPL-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ncn1 ZINC000678480157 488259885 /nfs/dbraw/zinc/25/98/85/488259885.db2.gz CEEJQQSYHDOSBI-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ncn1 ZINC000678480157 488259886 /nfs/dbraw/zinc/25/98/86/488259886.db2.gz CEEJQQSYHDOSBI-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC=CCC1 ZINC000673057910 488272505 /nfs/dbraw/zinc/27/25/05/488272505.db2.gz VZZHWBSNGDKNRF-UHFFFAOYSA-N 1 2 205.261 0.751 20 0 BCADLO C[C@@H](CO)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678627420 488274326 /nfs/dbraw/zinc/27/43/26/488274326.db2.gz SKBONXYEXKNRDH-NEPJUHHUSA-N 1 2 228.336 0.021 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000678721997 488279007 /nfs/dbraw/zinc/27/90/07/488279007.db2.gz PROQHBZYNZOWKV-RXMQYKEDSA-N 1 2 218.207 0.597 20 0 BCADLO O=C(CNc1cc[nH+]cc1F)NCc1ccco1 ZINC000678789246 488283340 /nfs/dbraw/zinc/28/33/40/488283340.db2.gz VSTMPFUOSHHYJV-UHFFFAOYSA-N 1 2 249.245 0.964 20 0 BCADLO OCCC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000678827159 488288395 /nfs/dbraw/zinc/28/83/95/488288395.db2.gz LUORFJOWUNDVBF-UHFFFAOYSA-N 1 2 245.286 0.481 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)cn1 ZINC000678881148 488292684 /nfs/dbraw/zinc/29/26/84/488292684.db2.gz GEMZFOPPYFAMIM-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)cn1 ZINC000678881148 488292687 /nfs/dbraw/zinc/29/26/87/488292687.db2.gz GEMZFOPPYFAMIM-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccn(C)n1 ZINC000678891500 488294170 /nfs/dbraw/zinc/29/41/70/488294170.db2.gz HZSQUVADIAONBQ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccn(C)n1 ZINC000678891500 488294171 /nfs/dbraw/zinc/29/41/71/488294171.db2.gz HZSQUVADIAONBQ-SECBINFHSA-N 1 2 222.292 0.131 20 0 BCADLO Cc1cc(NCc2cn(C)c[nH+]2)n(CCO)n1 ZINC000673601261 488295918 /nfs/dbraw/zinc/29/59/18/488295918.db2.gz OMTBEQKASUPEON-UHFFFAOYSA-N 1 2 235.291 0.529 20 0 BCADLO Cc1cc(N(C)CCNC(=O)N(C)C)nc[nH+]1 ZINC000678943441 488297287 /nfs/dbraw/zinc/29/72/87/488297287.db2.gz WQFHPRJQLNBBJN-UHFFFAOYSA-N 1 2 237.307 0.492 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nccn(C2CC2)c1=O ZINC000679002784 488302258 /nfs/dbraw/zinc/30/22/58/488302258.db2.gz QRRRNHQJFFVIFJ-UHFFFAOYSA-N 1 2 245.286 0.938 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)[nH]n1 ZINC000673670346 488302437 /nfs/dbraw/zinc/30/24/37/488302437.db2.gz FQJWADTXDAYQGG-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000673670346 488302438 /nfs/dbraw/zinc/30/24/38/488302438.db2.gz FQJWADTXDAYQGG-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO C[C@@H](Nc1cnn(CCO)c1)c1[nH+]ccn1C ZINC000679084493 488307061 /nfs/dbraw/zinc/30/70/61/488307061.db2.gz WHEFAFVGJWMXJT-SECBINFHSA-N 1 2 235.291 0.782 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@H]2COC)n1 ZINC000679133330 488311628 /nfs/dbraw/zinc/31/16/28/488311628.db2.gz HTGHZROXVJSWBU-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@H]2COC)n1 ZINC000679133330 488311632 /nfs/dbraw/zinc/31/16/32/488311632.db2.gz HTGHZROXVJSWBU-SECBINFHSA-N 1 2 241.291 0.827 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC000673893687 488311850 /nfs/dbraw/zinc/31/18/50/488311850.db2.gz IPRLPHAXPSABIV-SNVBAGLBSA-N 1 2 243.351 0.310 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC000673893687 488311852 /nfs/dbraw/zinc/31/18/52/488311852.db2.gz IPRLPHAXPSABIV-SNVBAGLBSA-N 1 2 243.351 0.310 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1F ZINC000679222565 488319801 /nfs/dbraw/zinc/31/98/01/488319801.db2.gz OCQZRKFHKVLXTD-HRDYMLBCSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C[C@@H]1F ZINC000679222565 488319802 /nfs/dbraw/zinc/31/98/02/488319802.db2.gz OCQZRKFHKVLXTD-HRDYMLBCSA-N 1 2 200.257 0.555 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1F ZINC000679226848 488322473 /nfs/dbraw/zinc/32/24/73/488322473.db2.gz VVBILNSGKSXVMR-NXEZZACHSA-N 1 2 214.284 0.899 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1F ZINC000679226848 488322474 /nfs/dbraw/zinc/32/24/74/488322474.db2.gz VVBILNSGKSXVMR-NXEZZACHSA-N 1 2 214.284 0.899 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCCCNC1=O ZINC000684607654 488331706 /nfs/dbraw/zinc/33/17/06/488331706.db2.gz WMZYAWYSZGOAAH-VIFPVBQESA-N 1 2 237.307 0.056 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000684607634 488331819 /nfs/dbraw/zinc/33/18/19/488331819.db2.gz VQKXUNZRPCDIQC-VIFPVBQESA-N 1 2 237.307 0.008 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1c[nH+]c[nH]1 ZINC000684616665 488331973 /nfs/dbraw/zinc/33/19/73/488331973.db2.gz VQVMXCMDTUNBPY-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1c[nH]c[nH+]1 ZINC000684616665 488331974 /nfs/dbraw/zinc/33/19/74/488331974.db2.gz VQVMXCMDTUNBPY-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1F ZINC000679359908 488345578 /nfs/dbraw/zinc/34/55/78/488345578.db2.gz RYEYHSLSOWZFCN-PSASIEDQSA-N 1 2 212.272 0.995 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1F ZINC000679359908 488345580 /nfs/dbraw/zinc/34/55/80/488345580.db2.gz RYEYHSLSOWZFCN-PSASIEDQSA-N 1 2 212.272 0.995 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1COCCN1C ZINC000679636670 488361194 /nfs/dbraw/zinc/36/11/94/488361194.db2.gz ROUSSLZQJFWNJF-LBPRGKRZSA-N 1 2 249.314 0.335 20 0 BCADLO Cc1[nH]ncc1CCCNC(=O)C[NH2+]C(C)C ZINC000050183140 488365399 /nfs/dbraw/zinc/36/53/99/488365399.db2.gz HIKYALJWUJRTAA-UHFFFAOYSA-N 1 2 238.335 0.765 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1cncnc1 ZINC000119686629 490051604 /nfs/dbraw/zinc/05/16/04/490051604.db2.gz WFGIXTKJRHVPRO-UHFFFAOYSA-N 1 2 222.292 0.564 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1cncnc1 ZINC000119686629 490051605 /nfs/dbraw/zinc/05/16/05/490051605.db2.gz WFGIXTKJRHVPRO-UHFFFAOYSA-N 1 2 222.292 0.564 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000121441014 490090023 /nfs/dbraw/zinc/09/00/23/490090023.db2.gz KJTDITOBSCLJQJ-GFCCVEGCSA-N 1 2 246.314 0.720 20 0 BCADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000121441014 490090027 /nfs/dbraw/zinc/09/00/27/490090027.db2.gz KJTDITOBSCLJQJ-GFCCVEGCSA-N 1 2 246.314 0.720 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1cccnn1 ZINC000381363178 490097682 /nfs/dbraw/zinc/09/76/82/490097682.db2.gz DMNGDJRJFCXKEL-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1cccnn1 ZINC000381363178 490097688 /nfs/dbraw/zinc/09/76/88/490097688.db2.gz DMNGDJRJFCXKEL-JTQLQIEISA-N 1 2 222.292 0.609 20 0 BCADLO Cc1nc(NC[C@@H](O)[C@@H]2CCCO2)cc[nH+]1 ZINC000528140633 490102235 /nfs/dbraw/zinc/10/22/35/490102235.db2.gz UCHRHYXPDPXCOI-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)CC2(CCCCC2)O1 ZINC000653908256 490157360 /nfs/dbraw/zinc/15/73/60/490157360.db2.gz IWZGMJDAQDLGQJ-JTQLQIEISA-N 1 2 226.320 0.895 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)CC2(CCCCC2)O1 ZINC000653908256 490157365 /nfs/dbraw/zinc/15/73/65/490157365.db2.gz IWZGMJDAQDLGQJ-JTQLQIEISA-N 1 2 226.320 0.895 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CCCOCC2)n1 ZINC000408183721 490164294 /nfs/dbraw/zinc/16/42/94/490164294.db2.gz SYLJJQCGJRWLCV-VIFPVBQESA-N 1 2 241.291 0.999 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CCCOCC2)n1 ZINC000408183721 490164300 /nfs/dbraw/zinc/16/43/00/490164300.db2.gz SYLJJQCGJRWLCV-VIFPVBQESA-N 1 2 241.291 0.999 20 0 BCADLO COC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000578334271 490222518 /nfs/dbraw/zinc/22/25/18/490222518.db2.gz GVDUOWJFNYPCJW-IONNQARKSA-N 1 2 229.280 0.378 20 0 BCADLO COC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000578334271 490222526 /nfs/dbraw/zinc/22/25/26/490222526.db2.gz GVDUOWJFNYPCJW-IONNQARKSA-N 1 2 229.280 0.378 20 0 BCADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1cccs1 ZINC000070820025 490238948 /nfs/dbraw/zinc/23/89/48/490238948.db2.gz KWRSUAONXAGBGY-UHFFFAOYSA-N 1 2 243.313 0.950 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@@H+]2C)nc1 ZINC000068806853 490263036 /nfs/dbraw/zinc/26/30/36/490263036.db2.gz ZCCDVUQPGRJQDT-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@H+]2C)nc1 ZINC000068806853 490263042 /nfs/dbraw/zinc/26/30/42/490263042.db2.gz ZCCDVUQPGRJQDT-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413218166 490274232 /nfs/dbraw/zinc/27/42/32/490274232.db2.gz HJUFLIUOFYZWCE-SCZZXKLOSA-N 1 2 234.303 0.868 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413218166 490274239 /nfs/dbraw/zinc/27/42/39/490274239.db2.gz HJUFLIUOFYZWCE-SCZZXKLOSA-N 1 2 234.303 0.868 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(CCCO)C1CC1 ZINC000404259958 490295353 /nfs/dbraw/zinc/29/53/53/490295353.db2.gz VLVBAJOGXAMFAQ-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO C[N@H+](CCc1nccs1)Cc1cnn[nH]1 ZINC000284124433 490303001 /nfs/dbraw/zinc/30/30/01/490303001.db2.gz UJMISWHMBTYADC-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1nccs1)Cc1cnn[nH]1 ZINC000284124433 490303006 /nfs/dbraw/zinc/30/30/06/490303006.db2.gz UJMISWHMBTYADC-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@H+](CCc1nccs1)Cc1c[nH]nn1 ZINC000284124433 490303010 /nfs/dbraw/zinc/30/30/10/490303010.db2.gz UJMISWHMBTYADC-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1nccs1)Cc1c[nH]nn1 ZINC000284124433 490303014 /nfs/dbraw/zinc/30/30/14/490303014.db2.gz UJMISWHMBTYADC-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C[C@H](O)C1CC1 ZINC000079771031 490460979 /nfs/dbraw/zinc/46/09/79/490460979.db2.gz HLSDEPGOTHFFDG-JTQLQIEISA-N 1 2 237.307 0.211 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C[C@H](O)C1CC1 ZINC000079771031 490460987 /nfs/dbraw/zinc/46/09/87/490460987.db2.gz HLSDEPGOTHFFDG-JTQLQIEISA-N 1 2 237.307 0.211 20 0 BCADLO O=C(CC[C@@H]1CCOC1)NCc1c[nH]c[nH+]1 ZINC000401301236 490579235 /nfs/dbraw/zinc/57/92/35/490579235.db2.gz DUXZDCDCUMFVAF-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO O=C(CC[C@@H]1CCOC1)NCc1c[nH+]c[nH]1 ZINC000401301236 490579232 /nfs/dbraw/zinc/57/92/32/490579232.db2.gz DUXZDCDCUMFVAF-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)CC[C@H]2C)o1 ZINC000399328690 491061494 /nfs/dbraw/zinc/06/14/94/491061494.db2.gz XPZKLWQQOCRMSX-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC[C@H]2C)o1 ZINC000399328690 491061495 /nfs/dbraw/zinc/06/14/95/491061495.db2.gz XPZKLWQQOCRMSX-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(N)=O)c1ccc(C)o1 ZINC000184652030 491086532 /nfs/dbraw/zinc/08/65/32/491086532.db2.gz OLZMFNWUBFDMCS-RKDXNWHRSA-N 1 2 226.276 0.739 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccno1 ZINC000088094234 491094315 /nfs/dbraw/zinc/09/43/15/491094315.db2.gz SLTALQUVLBPVJY-WCBMZHEXSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccno1 ZINC000088094234 491094316 /nfs/dbraw/zinc/09/43/16/491094316.db2.gz SLTALQUVLBPVJY-WCBMZHEXSA-N 1 2 212.249 0.256 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc2c(n1)CCC2=O ZINC000516520170 491100875 /nfs/dbraw/zinc/10/08/75/491100875.db2.gz LQYWXPPSTHUTBH-UHFFFAOYSA-N 1 2 242.282 0.978 20 0 BCADLO Cc1nc(NCCCc2ncn(C)n2)cc[nH+]1 ZINC000645323221 491108577 /nfs/dbraw/zinc/10/85/77/491108577.db2.gz GLVSNPUIGDLWAY-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO Cc1nccc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000608082337 491108584 /nfs/dbraw/zinc/10/85/84/491108584.db2.gz LTSVGJTXSITWQX-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000608082337 491108585 /nfs/dbraw/zinc/10/85/85/491108585.db2.gz LTSVGJTXSITWQX-SNVBAGLBSA-N 1 2 236.319 0.918 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000122578753 491114019 /nfs/dbraw/zinc/11/40/19/491114019.db2.gz NWDOZJLSJFVBFE-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC000122578753 491114020 /nfs/dbraw/zinc/11/40/20/491114020.db2.gz NWDOZJLSJFVBFE-NSHDSACASA-N 1 2 234.303 0.529 20 0 BCADLO c1cc(C[NH+]2CCN(c3nccnn3)CC2)on1 ZINC000625636949 491125203 /nfs/dbraw/zinc/12/52/03/491125203.db2.gz FFENFIGYGWECJX-UHFFFAOYSA-N 1 2 246.274 0.182 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCn1cccn1 ZINC000069867437 491125825 /nfs/dbraw/zinc/12/58/25/491125825.db2.gz UHHMWYMUZGQSTB-SNVBAGLBSA-N 1 2 245.348 0.248 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCn1cccn1 ZINC000069867437 491125826 /nfs/dbraw/zinc/12/58/26/491125826.db2.gz UHHMWYMUZGQSTB-SNVBAGLBSA-N 1 2 245.348 0.248 20 0 BCADLO Cc1cc(N[C@@H](CO)[C@H]2CCCOC2)nc[nH+]1 ZINC000664017144 491132296 /nfs/dbraw/zinc/13/22/96/491132296.db2.gz VDSUUCLCARPSDB-QWRGUYRKSA-N 1 2 237.303 0.984 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ncc[nH]1 ZINC000308980557 491141804 /nfs/dbraw/zinc/14/18/04/491141804.db2.gz HYDXFINZWIJIRL-SFYZADRCSA-N 1 2 210.281 0.537 20 0 BCADLO CCn1cc[nH+]c1CNc1ncnn1C ZINC000309028814 491142611 /nfs/dbraw/zinc/14/26/11/491142611.db2.gz CJEDOGIFVGZJSZ-UHFFFAOYSA-N 1 2 206.253 0.644 20 0 BCADLO COC[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309080439 491144038 /nfs/dbraw/zinc/14/40/38/491144038.db2.gz OWAUOQVBVYPYGQ-CBAPKCEASA-N 1 2 213.281 0.376 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000493211683 533793133 /nfs/dbraw/zinc/79/31/33/533793133.db2.gz RADTXQOGIWQWEK-ATEUNZGCSA-N 1 2 237.390 0.163 20 0 BCADLO CSC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000493211683 533793139 /nfs/dbraw/zinc/79/31/39/533793139.db2.gz RADTXQOGIWQWEK-ATEUNZGCSA-N 1 2 237.390 0.163 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC/C=C\Cl ZINC000891204366 582629911 /nfs/dbraw/zinc/62/99/11/582629911.db2.gz DYIFRNGQMUFFPQ-ZBJFTSOASA-N 1 2 232.711 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC/C=C\Cl ZINC000891204366 582629913 /nfs/dbraw/zinc/62/99/13/582629913.db2.gz DYIFRNGQMUFFPQ-ZBJFTSOASA-N 1 2 232.711 0.576 20 0 BCADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1CO ZINC000492867575 533913382 /nfs/dbraw/zinc/91/33/82/533913382.db2.gz RTOBUPMNZJXTNF-NWRGJWMSSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1CO ZINC000493293015 533911067 /nfs/dbraw/zinc/91/10/67/533911067.db2.gz TUCJOVHPQJFMOW-NBYFHADBSA-N 1 2 235.287 0.652 20 0 BCADLO CC[C@@H](C)N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000079809859 535543002 /nfs/dbraw/zinc/54/30/02/535543002.db2.gz SPZLXQRZMWEFQO-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO COC(=O)NCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000497112596 534033266 /nfs/dbraw/zinc/03/32/66/534033266.db2.gz LJYMVECVELOTJG-UHFFFAOYSA-N 1 2 240.263 0.117 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000335714652 535719480 /nfs/dbraw/zinc/71/94/80/535719480.db2.gz DSBAIFZOCATBOI-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000335714652 535719489 /nfs/dbraw/zinc/71/94/89/535719489.db2.gz DSBAIFZOCATBOI-SNVBAGLBSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493150434 534091274 /nfs/dbraw/zinc/09/12/74/534091274.db2.gz LFAVPLOXQSEMBR-KRALRXKRSA-N 1 2 248.286 0.206 20 0 BCADLO C[C@@H]1NC(=O)CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815564 534098756 /nfs/dbraw/zinc/09/87/56/534098756.db2.gz XODTVUSTIFKOFB-ZWCINGSQSA-N 1 2 248.286 0.206 20 0 BCADLO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200864 534264142 /nfs/dbraw/zinc/26/41/42/534264142.db2.gz ILUCKFILRPNKOS-KCJUWKMLSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200864 534264145 /nfs/dbraw/zinc/26/41/45/534264145.db2.gz ILUCKFILRPNKOS-KCJUWKMLSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC000493518844 534275059 /nfs/dbraw/zinc/27/50/59/534275059.db2.gz GVBOZTWXPPGTOO-QTIBKXMGSA-N 1 2 248.286 0.003 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)C(C)C ZINC000496201646 534279845 /nfs/dbraw/zinc/27/98/45/534279845.db2.gz XCVRJCKQQFRPOG-IUCAKERBSA-N 1 2 244.291 0.224 20 0 BCADLO C[C@H](O)CN(C)c1nccn2c[nH+]cc12 ZINC000892003467 582758653 /nfs/dbraw/zinc/75/86/53/582758653.db2.gz BEDFCWYJUWZWHT-QMMMGPOBSA-N 1 2 206.249 0.546 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)OCCCF ZINC000495898251 534339863 /nfs/dbraw/zinc/33/98/63/534339863.db2.gz VASJIXRQKZRLLI-UHFFFAOYSA-N 1 2 234.271 0.404 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000348127434 534394905 /nfs/dbraw/zinc/39/49/05/534394905.db2.gz RXOVRZBOKLMDIP-PUTJDCORSA-N 1 2 246.376 0.354 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000348127434 534394909 /nfs/dbraw/zinc/39/49/09/534394909.db2.gz RXOVRZBOKLMDIP-PUTJDCORSA-N 1 2 246.376 0.354 20 0 BCADLO Cc1noc([C@@H](C)NC(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000493319660 534439025 /nfs/dbraw/zinc/43/90/25/534439025.db2.gz LHMBZMCROFIHRA-KGGZQZJCSA-N 1 2 247.258 0.992 20 0 BCADLO Cc1nc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000492920844 534452823 /nfs/dbraw/zinc/45/28/23/534452823.db2.gz KFRHOVHPATYUEA-ARJAWSKDSA-N 1 2 232.247 0.499 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1O ZINC000488132542 534475778 /nfs/dbraw/zinc/47/57/78/534475778.db2.gz WSHIMRPKRAKKFY-HTQZYQBOSA-N 1 2 246.261 0.356 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1O ZINC000488132542 534475783 /nfs/dbraw/zinc/47/57/83/534475783.db2.gz WSHIMRPKRAKKFY-HTQZYQBOSA-N 1 2 246.261 0.356 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H]1CO ZINC000889137138 582838005 /nfs/dbraw/zinc/83/80/05/582838005.db2.gz WPVDLXDYLCOBKZ-SNVBAGLBSA-N 1 2 223.276 0.257 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1ncc(C)o1)C(C)C ZINC000183664844 536382360 /nfs/dbraw/zinc/38/23/60/536382360.db2.gz MFESJTDAQQIJTM-SNVBAGLBSA-N 1 2 225.292 0.843 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCSCC1 ZINC000493817604 534787136 /nfs/dbraw/zinc/78/71/36/534787136.db2.gz HOKWOOSWTHUQMI-OWOJBTEDSA-N 1 2 223.301 0.998 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC(CF)CF ZINC000493293976 534787540 /nfs/dbraw/zinc/78/75/40/534787540.db2.gz VNEWUENFMUIBDA-OWOJBTEDSA-N 1 2 215.203 0.847 20 0 BCADLO O=C1N[C@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2CO1 ZINC000493473561 534800625 /nfs/dbraw/zinc/80/06/25/534800625.db2.gz OHQKVCWELZLINS-ZJUUUORDSA-N 1 2 248.286 0.407 20 0 BCADLO O=C1N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2CO1 ZINC000493473561 534800628 /nfs/dbraw/zinc/80/06/28/534800628.db2.gz OHQKVCWELZLINS-ZJUUUORDSA-N 1 2 248.286 0.407 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(C1CC1)C1COC1 ZINC000493398576 534801507 /nfs/dbraw/zinc/80/15/07/534801507.db2.gz XWOIFKHDZYBWAA-RJRFIUFISA-N 1 2 233.271 0.813 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(OC(F)F)C1 ZINC000492820229 534801832 /nfs/dbraw/zinc/80/18/32/534801832.db2.gz AQMXXXGBYOOOEO-UPHRSURJSA-N 1 2 243.213 0.873 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCOCC1 ZINC000492891991 534803301 /nfs/dbraw/zinc/80/33/01/534803301.db2.gz DNVPEMHNVYANBL-UPHRSURJSA-N 1 2 237.259 0.650 20 0 BCADLO Cc1n[nH]cc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773320 534855412 /nfs/dbraw/zinc/85/54/12/534855412.db2.gz UZWUASAWRWCRMM-NSCUHMNNSA-N 1 2 231.259 0.771 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CF)CCC2)C1 ZINC000335552119 536439842 /nfs/dbraw/zinc/43/98/42/536439842.db2.gz BAOCJDVSLGBJEI-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(CF)CCC2)C1 ZINC000335552119 536439843 /nfs/dbraw/zinc/43/98/43/536439843.db2.gz BAOCJDVSLGBJEI-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000087399930 536442201 /nfs/dbraw/zinc/44/22/01/536442201.db2.gz UYYZREHRAPWMGL-SECBINFHSA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000087399930 536442202 /nfs/dbraw/zinc/44/22/02/536442202.db2.gz UYYZREHRAPWMGL-SECBINFHSA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)(C)OC(=O)NCCC[NH+]1CC(O)C1 ZINC000496887681 526456437 /nfs/dbraw/zinc/45/64/37/526456437.db2.gz YDCMKCFKGXYSIS-UHFFFAOYSA-N 1 2 230.308 0.578 20 0 BCADLO CC(=O)NCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493333546 526750470 /nfs/dbraw/zinc/75/04/70/526750470.db2.gz KIYKSSWKOQHDCU-ARJAWSKDSA-N 1 2 236.275 0.017 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493221157 527865151 /nfs/dbraw/zinc/86/51/51/527865151.db2.gz INYRJJRPGDAROT-FCVPOFOPSA-N 1 2 221.260 0.717 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@H]1CN(C)C(=O)O1 ZINC000495796220 527906094 /nfs/dbraw/zinc/90/60/94/527906094.db2.gz UHPXKCKYIBBBNW-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@H]1CN(C)C(=O)O1 ZINC000495796220 527906098 /nfs/dbraw/zinc/90/60/98/527906098.db2.gz UHPXKCKYIBBBNW-SECBINFHSA-N 1 2 244.291 0.322 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000175264450 536522825 /nfs/dbraw/zinc/52/28/25/536522825.db2.gz CRIOAQJWGDKENU-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000175264450 536522832 /nfs/dbraw/zinc/52/28/32/536522832.db2.gz CRIOAQJWGDKENU-HTQZYQBOSA-N 1 2 229.280 0.590 20 0 BCADLO CCN(CC(=O)OC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493364024 527934692 /nfs/dbraw/zinc/93/46/92/527934692.db2.gz FUFQLTDXIFDFTO-SNAWJCMRSA-N 1 2 237.259 0.444 20 0 BCADLO CCNC(=O)C1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493186544 528045874 /nfs/dbraw/zinc/04/58/74/528045874.db2.gz JHGRQVYTLMPNEB-ONEGZZNKSA-N 1 2 248.286 0.017 20 0 BCADLO CCCNC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493401752 528392541 /nfs/dbraw/zinc/39/25/41/528392541.db2.gz MCXHSDPTDRIBMN-ARJAWSKDSA-N 1 2 236.275 0.065 20 0 BCADLO CCO/C=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000493595046 528535394 /nfs/dbraw/zinc/53/53/94/528535394.db2.gz SGJFKGPITXQXLR-MEQVVJDKSA-N 1 2 242.319 0.374 20 0 BCADLO CC(C)[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(N)=O ZINC000493078116 528537776 /nfs/dbraw/zinc/53/77/76/528537776.db2.gz BJXJHKLGHDKYIL-UMBAGQNISA-N 1 2 236.275 0.049 20 0 BCADLO C[C@@H](O)c1cccc(NCC[S@](C)=O)[nH+]1 ZINC000892571925 582917288 /nfs/dbraw/zinc/91/72/88/582917288.db2.gz RVOVRDGGVVWRLM-GLEZIHRCSA-N 1 2 228.317 0.925 20 0 BCADLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)CC(N)=O)C(C)C ZINC000505486497 528781700 /nfs/dbraw/zinc/78/17/00/528781700.db2.gz JUFFZYAHTVUTAH-SNVBAGLBSA-N 1 2 243.351 0.437 20 0 BCADLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CC(N)=O)C(C)C ZINC000505486497 528781706 /nfs/dbraw/zinc/78/17/06/528781706.db2.gz JUFFZYAHTVUTAH-SNVBAGLBSA-N 1 2 243.351 0.437 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401491103 528900802 /nfs/dbraw/zinc/90/08/02/528900802.db2.gz GVMKWPOTCJWSAI-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401491103 528900806 /nfs/dbraw/zinc/90/08/06/528900806.db2.gz GVMKWPOTCJWSAI-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791389 529021421 /nfs/dbraw/zinc/02/14/21/529021421.db2.gz AQMRQGXYGGNSQJ-XOULXFPDSA-N 1 2 237.303 0.804 20 0 BCADLO CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000492894613 529110366 /nfs/dbraw/zinc/11/03/66/529110366.db2.gz HKLBYVAGSXBZFU-ARJAWSKDSA-N 1 2 248.286 0.114 20 0 BCADLO CCN(C)C(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900628 529122216 /nfs/dbraw/zinc/12/22/16/529122216.db2.gz OAUODIJAWGOBOB-PLNGDYQASA-N 1 2 236.275 0.017 20 0 BCADLO CC(C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000487522160 529136573 /nfs/dbraw/zinc/13/65/73/529136573.db2.gz DOEOGLUPOWLGNZ-NSHDSACASA-N 1 2 241.335 0.557 20 0 BCADLO CC(C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000487522160 529136574 /nfs/dbraw/zinc/13/65/74/529136574.db2.gz DOEOGLUPOWLGNZ-NSHDSACASA-N 1 2 241.335 0.557 20 0 BCADLO CC(C)NC(=O)OC1C[NH+](CC(C)(C)O)C1 ZINC000497059445 529139987 /nfs/dbraw/zinc/13/99/87/529139987.db2.gz VSMTXHIZAMTMHN-UHFFFAOYSA-N 1 2 230.308 0.576 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493502560 529221865 /nfs/dbraw/zinc/22/18/65/529221865.db2.gz WINGCTBIYZGNEF-AWAZDUCLSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171971478 534923117 /nfs/dbraw/zinc/92/31/17/534923117.db2.gz RAKNBLTYSPQKTD-QWRGUYRKSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171971478 534923126 /nfs/dbraw/zinc/92/31/26/534923126.db2.gz RAKNBLTYSPQKTD-QWRGUYRKSA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)c1nnc(C[NH+]2CCC(O)CC2)n1C ZINC000303257421 534970141 /nfs/dbraw/zinc/97/01/41/534970141.db2.gz JFZKNUYFLBJGFL-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1C ZINC000303254920 534972992 /nfs/dbraw/zinc/97/29/92/534972992.db2.gz FMBJNMUWWAUYAR-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1C ZINC000303254920 534972995 /nfs/dbraw/zinc/97/29/95/534972995.db2.gz FMBJNMUWWAUYAR-JTQLQIEISA-N 1 2 238.335 0.895 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)C[C@@H](C)O ZINC000352210656 535390617 /nfs/dbraw/zinc/39/06/17/535390617.db2.gz HEJRROPWVHWWTL-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)C[C@@H](C)O ZINC000352210656 535390620 /nfs/dbraw/zinc/39/06/20/535390620.db2.gz HEJRROPWVHWWTL-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000348734130 535546133 /nfs/dbraw/zinc/54/61/33/535546133.db2.gz HFOSTSQBDNISPR-NEPJUHHUSA-N 1 2 241.379 0.879 20 0 BCADLO CCN1CCN(C(=O)NC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000335736646 535623035 /nfs/dbraw/zinc/62/30/35/535623035.db2.gz OLTBOXFMUDEPEX-SECBINFHSA-N 1 2 237.307 0.428 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348192474 535649655 /nfs/dbraw/zinc/64/96/55/535649655.db2.gz ZUNNYSJMCDFBMB-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348192474 535649658 /nfs/dbraw/zinc/64/96/58/535649658.db2.gz ZUNNYSJMCDFBMB-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233735826 535690642 /nfs/dbraw/zinc/69/06/42/535690642.db2.gz PBBJBQGJDLCFQC-WCBMZHEXSA-N 1 2 215.293 0.953 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000347775320 535696698 /nfs/dbraw/zinc/69/66/98/535696698.db2.gz FZHFYCMXPHZYHK-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000347775320 535696702 /nfs/dbraw/zinc/69/67/02/535696702.db2.gz FZHFYCMXPHZYHK-WDEREUQCSA-N 1 2 247.335 0.656 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)CC(=O)N(CC)CC ZINC000349121403 535713624 /nfs/dbraw/zinc/71/36/24/535713624.db2.gz WTUJRIQOZHZXEW-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)N(CC)CC ZINC000349121403 535713626 /nfs/dbraw/zinc/71/36/26/535713626.db2.gz WTUJRIQOZHZXEW-UHFFFAOYSA-N 1 2 243.351 0.265 20 0 BCADLO CCN1CCN(Cc2[nH+]cc(C)n2C)CC1=O ZINC000342779072 535722327 /nfs/dbraw/zinc/72/23/27/535722327.db2.gz NULMRFIMUHDFQL-UHFFFAOYSA-N 1 2 236.319 0.393 20 0 BCADLO CCN(CC(=O)OC)Cc1[nH+]cc(C)n1C ZINC000342790787 535783206 /nfs/dbraw/zinc/78/32/06/535783206.db2.gz MWEHUJPRSRHCTJ-UHFFFAOYSA-N 1 2 225.292 0.723 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000334406433 535832039 /nfs/dbraw/zinc/83/20/39/535832039.db2.gz HWGOTYVFVUCYPZ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000334406433 535832042 /nfs/dbraw/zinc/83/20/42/535832042.db2.gz HWGOTYVFVUCYPZ-SNVBAGLBSA-N 1 2 212.293 0.330 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000348635799 535862573 /nfs/dbraw/zinc/86/25/73/535862573.db2.gz OPOFHZXNHKBLOY-WDEREUQCSA-N 1 2 225.292 0.095 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000348635799 535862576 /nfs/dbraw/zinc/86/25/76/535862576.db2.gz OPOFHZXNHKBLOY-WDEREUQCSA-N 1 2 225.292 0.095 20 0 BCADLO CC[C@H](NC(=O)c1cc[nH]c(=O)c1)c1[nH]cc[nH+]1 ZINC000218079708 535870616 /nfs/dbraw/zinc/87/06/16/535870616.db2.gz OZLGKYPFRRUUSQ-VIFPVBQESA-N 1 2 246.270 0.979 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@H](C)F ZINC000352096262 536347902 /nfs/dbraw/zinc/34/79/02/536347902.db2.gz DMPGXRBNFHDOPA-IUCAKERBSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@H](C)F ZINC000352096262 536347904 /nfs/dbraw/zinc/34/79/04/536347904.db2.gz DMPGXRBNFHDOPA-IUCAKERBSA-N 1 2 246.282 0.098 20 0 BCADLO COCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250329 536581495 /nfs/dbraw/zinc/58/14/95/536581495.db2.gz QYZLTCKNGSEFIL-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@H]1CCNC1=O ZINC000351759265 536650018 /nfs/dbraw/zinc/65/00/18/536650018.db2.gz RPRAEFKGKNBDOX-UWVGGRQHSA-N 1 2 242.319 0.394 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC000351759265 536650024 /nfs/dbraw/zinc/65/00/24/536650024.db2.gz RPRAEFKGKNBDOX-UWVGGRQHSA-N 1 2 242.319 0.394 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnnn2C)CC[C@@H]1C ZINC000342728587 536734866 /nfs/dbraw/zinc/73/48/66/536734866.db2.gz WZHUEHZFSXGWCD-DTWKUNHWSA-N 1 2 225.296 0.067 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnnn2C)CC[C@@H]1C ZINC000342728587 536734873 /nfs/dbraw/zinc/73/48/73/536734873.db2.gz WZHUEHZFSXGWCD-DTWKUNHWSA-N 1 2 225.296 0.067 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1nccs1 ZINC000077408915 536775081 /nfs/dbraw/zinc/77/50/81/536775081.db2.gz FZRKIBUDIBPYQB-UHFFFAOYSA-N 1 2 229.305 0.660 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000077408915 536775086 /nfs/dbraw/zinc/77/50/86/536775086.db2.gz FZRKIBUDIBPYQB-UHFFFAOYSA-N 1 2 229.305 0.660 20 0 BCADLO COC[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000077827720 536837828 /nfs/dbraw/zinc/83/78/28/536837828.db2.gz FGYYKCQGRJZQSR-JTQLQIEISA-N 1 2 240.307 0.607 20 0 BCADLO C[C@@H](O)c1cccc(N(CCO)CCCO)[nH+]1 ZINC000892690654 582956624 /nfs/dbraw/zinc/95/66/24/582956624.db2.gz WWZMMEHEQWPTEO-SNVBAGLBSA-N 1 2 240.303 0.316 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cncnc1 ZINC000188920491 566299136 /nfs/dbraw/zinc/29/91/36/566299136.db2.gz HZFPUAIWEHBVMB-GFCCVEGCSA-N 1 2 248.330 0.823 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000188920491 566299139 /nfs/dbraw/zinc/29/91/39/566299139.db2.gz HZFPUAIWEHBVMB-GFCCVEGCSA-N 1 2 248.330 0.823 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC/C=C\Cl ZINC000892764931 582977764 /nfs/dbraw/zinc/97/77/64/582977764.db2.gz OXXWCJPVJWFQPF-IHWYPQMZSA-N 1 2 228.683 0.972 20 0 BCADLO CSC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893099605 583049192 /nfs/dbraw/zinc/04/91/92/583049192.db2.gz PADHUEIGXDZNKC-QMMMGPOBSA-N 1 2 242.348 0.971 20 0 BCADLO CCn1nccc1C[NH2+]Cc1cn(C)cn1 ZINC000853093431 588719458 /nfs/dbraw/zinc/71/94/58/588719458.db2.gz DRFURFAQHHKANR-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO COC[C@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853496679 588746300 /nfs/dbraw/zinc/74/63/00/588746300.db2.gz VVBDNTFRRNAKJG-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853496679 588746301 /nfs/dbraw/zinc/74/63/01/588746301.db2.gz VVBDNTFRRNAKJG-JTQLQIEISA-N 1 2 241.291 0.461 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(=O)o1 ZINC000853503825 588746492 /nfs/dbraw/zinc/74/64/92/588746492.db2.gz KYBQPAFFZXZUQG-WCBMZHEXSA-N 1 2 241.291 0.338 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(=O)o1 ZINC000853503825 588746493 /nfs/dbraw/zinc/74/64/93/588746493.db2.gz KYBQPAFFZXZUQG-WCBMZHEXSA-N 1 2 241.291 0.338 20 0 BCADLO C[N@H+](C[C@H]1COCCO1)Cn1cc(Cl)cn1 ZINC000853557876 588748751 /nfs/dbraw/zinc/74/87/51/588748751.db2.gz PIXQJRHKXYLEHW-JTQLQIEISA-N 1 2 245.710 0.841 20 0 BCADLO C[N@@H+](C[C@H]1COCCO1)Cn1cc(Cl)cn1 ZINC000853557876 588748752 /nfs/dbraw/zinc/74/87/52/588748752.db2.gz PIXQJRHKXYLEHW-JTQLQIEISA-N 1 2 245.710 0.841 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+](C)C[C@H]2COCCO2)C1 ZINC000853556963 588748761 /nfs/dbraw/zinc/74/87/61/588748761.db2.gz GHQWXIDKZAJSSH-MNOVXSKESA-N 1 2 242.319 0.160 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+](C)C[C@H]2COCCO2)C1 ZINC000853556963 588748762 /nfs/dbraw/zinc/74/87/62/588748762.db2.gz GHQWXIDKZAJSSH-MNOVXSKESA-N 1 2 242.319 0.160 20 0 BCADLO C[C@H]1CC(=O)N(C[N@H+](C)C[C@H]2COCCO2)C1 ZINC000853556964 588748823 /nfs/dbraw/zinc/74/88/23/588748823.db2.gz GHQWXIDKZAJSSH-QWRGUYRKSA-N 1 2 242.319 0.160 20 0 BCADLO C[C@H]1CC(=O)N(C[N@@H+](C)C[C@H]2COCCO2)C1 ZINC000853556964 588748824 /nfs/dbraw/zinc/74/88/24/588748824.db2.gz GHQWXIDKZAJSSH-QWRGUYRKSA-N 1 2 242.319 0.160 20 0 BCADLO O=c1n2ccccc2nn1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853577267 588749260 /nfs/dbraw/zinc/74/92/60/588749260.db2.gz HQZYYZBWGRZPOS-QWRGUYRKSA-N 1 2 244.298 0.795 20 0 BCADLO O=c1n2ccccc2nn1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853577267 588749261 /nfs/dbraw/zinc/74/92/61/588749261.db2.gz HQZYYZBWGRZPOS-QWRGUYRKSA-N 1 2 244.298 0.795 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCO[C@H]1CC1(F)F ZINC000853673937 588754903 /nfs/dbraw/zinc/75/49/03/588754903.db2.gz MVYLGJPTXYSCPO-RQJHMYQMSA-N 1 2 238.234 0.944 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1cccnc1N ZINC000853674172 588754928 /nfs/dbraw/zinc/75/49/28/588754928.db2.gz TZFMQANMMCMGGF-SSDOTTSWSA-N 1 2 224.264 0.697 20 0 BCADLO Cc1nc(C)c(CO[NH+]=C(N)CCO)o1 ZINC000853686613 588755996 /nfs/dbraw/zinc/75/59/96/588755996.db2.gz BYUBTUGSVNJXIP-UHFFFAOYSA-N 1 2 213.237 0.672 20 0 BCADLO CC1(C)C[C@H](O[NH+]=C(N)CCO)CO1 ZINC000853687788 588756577 /nfs/dbraw/zinc/75/65/77/588756577.db2.gz UXPQPCACDCYKPR-ZETCQYMHSA-N 1 2 202.254 0.435 20 0 BCADLO CC1(C)C[C@@H](O[NH+]=C(N)CCO)CO1 ZINC000853687787 588756593 /nfs/dbraw/zinc/75/65/93/588756593.db2.gz UXPQPCACDCYKPR-SSDOTTSWSA-N 1 2 202.254 0.435 20 0 BCADLO COC1(C(N)=[NH+]OCCCO)CCOCC1 ZINC000853742423 588760754 /nfs/dbraw/zinc/76/07/54/588760754.db2.gz NZWLYGPBAIGBOF-UHFFFAOYSA-N 1 2 232.280 0.063 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(C1)CCCOC2 ZINC000854396887 588785949 /nfs/dbraw/zinc/78/59/49/588785949.db2.gz KYEHOFUVURJWOJ-CYBMUJFWSA-N 1 2 249.314 0.981 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000854419944 588786239 /nfs/dbraw/zinc/78/62/39/588786239.db2.gz ZMDAPZBODZJYPR-ONGXEEELSA-N 1 2 248.286 0.479 20 0 BCADLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854532014 588790873 /nfs/dbraw/zinc/79/08/73/588790873.db2.gz RQTIMIOQYMOXJV-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](n2cccn2)C1 ZINC000854573242 588794968 /nfs/dbraw/zinc/79/49/68/588794968.db2.gz KAEVZWRYECTREM-JTQLQIEISA-N 1 2 245.286 0.622 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854579548 588795097 /nfs/dbraw/zinc/79/50/97/588795097.db2.gz FJUWHLRFASJFDK-SECBINFHSA-N 1 2 217.272 0.972 20 0 BCADLO C=C=CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854579548 588795098 /nfs/dbraw/zinc/79/50/98/588795098.db2.gz FJUWHLRFASJFDK-SECBINFHSA-N 1 2 217.272 0.972 20 0 BCADLO C[C@@H](NC(=O)CC1OCCO1)c1[nH]cc[nH+]1 ZINC000854594373 588796385 /nfs/dbraw/zinc/79/63/85/588796385.db2.gz JNOGBLIVSYGXOH-SSDOTTSWSA-N 1 2 225.248 0.350 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000854595258 588796444 /nfs/dbraw/zinc/79/64/44/588796444.db2.gz XTGAPJBGPDUYTL-SFYZADRCSA-N 1 2 222.248 0.752 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](O)C12CCCC2 ZINC000854644977 588799037 /nfs/dbraw/zinc/79/90/37/588799037.db2.gz JXXPMTYYFSNZJA-SNVBAGLBSA-N 1 2 249.314 0.858 20 0 BCADLO C[C@H]1CCC[C@]1(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854666683 588800064 /nfs/dbraw/zinc/80/00/64/588800064.db2.gz CWWGAMGOMDCJEY-CABZTGNLSA-N 1 2 237.303 0.620 20 0 BCADLO CCC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854687148 588801483 /nfs/dbraw/zinc/80/14/83/588801483.db2.gz DXRIBOLDMSGCMQ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO C[C@H](CC(C)(C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854762077 588805124 /nfs/dbraw/zinc/80/51/24/588805124.db2.gz VEMBJXJWHVIOGW-MRVPVSSYSA-N 1 2 225.292 0.618 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](O)C(F)F ZINC000854747665 588805249 /nfs/dbraw/zinc/80/52/49/588805249.db2.gz HIOBPCXWUPINAF-HZGVNTEJSA-N 1 2 247.245 0.473 20 0 BCADLO CC(C)ONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854754259 588805617 /nfs/dbraw/zinc/80/56/17/588805617.db2.gz MJNCLHHCUQHPGB-QMMMGPOBSA-N 1 2 223.276 0.971 20 0 BCADLO CC(C)ONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854754259 588805618 /nfs/dbraw/zinc/80/56/18/588805618.db2.gz MJNCLHHCUQHPGB-QMMMGPOBSA-N 1 2 223.276 0.971 20 0 BCADLO CC1=NO[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000854843226 588813129 /nfs/dbraw/zinc/81/31/29/588813129.db2.gz ZLJQMLNDKRDQBE-QMMMGPOBSA-N 1 2 236.275 0.926 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1CCOC1 ZINC000854884876 588815431 /nfs/dbraw/zinc/81/54/31/588815431.db2.gz RSWBQCJUOCGEBL-SNVBAGLBSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CCCO)C1 ZINC000854896255 588815894 /nfs/dbraw/zinc/81/58/94/588815894.db2.gz IBDWUHLRYMLBHA-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO CC1=NO[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000854906849 588816379 /nfs/dbraw/zinc/81/63/79/588816379.db2.gz YUEKJAQYZVRQDR-JTQLQIEISA-N 1 2 236.275 0.244 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000855031651 588821326 /nfs/dbraw/zinc/82/13/26/588821326.db2.gz NBXKAZMGBRBBKD-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C2CCC2)C1 ZINC000854931276 588817087 /nfs/dbraw/zinc/81/70/87/588817087.db2.gz GNONWDZCUPSBQD-LLVKDONJSA-N 1 2 249.314 0.980 20 0 BCADLO C[C@@H](C(=O)NOCC[NH+](C)C)c1ccccn1 ZINC000854945039 588817686 /nfs/dbraw/zinc/81/76/86/588817686.db2.gz HKFFLGAEXVNXTG-SNVBAGLBSA-N 1 2 237.303 0.795 20 0 BCADLO CCn1nc(C)c(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000854981703 588819539 /nfs/dbraw/zinc/81/95/39/588819539.db2.gz ZDLYVIFSDQRYQV-UHFFFAOYSA-N 1 2 248.290 0.188 20 0 BCADLO CO[C@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134614 588822663 /nfs/dbraw/zinc/82/26/63/588822663.db2.gz ULRVMLUCRJEAEP-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CO[C@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134614 588822664 /nfs/dbraw/zinc/82/26/64/588822664.db2.gz ULRVMLUCRJEAEP-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@H](CO)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134800 588822821 /nfs/dbraw/zinc/82/28/21/588822821.db2.gz AGEWUDRMFRTXMY-MRVPVSSYSA-N 1 2 211.265 0.387 20 0 BCADLO CC[C@H](CO)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134800 588822822 /nfs/dbraw/zinc/82/28/22/588822822.db2.gz AGEWUDRMFRTXMY-MRVPVSSYSA-N 1 2 211.265 0.387 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(C=O)cn1C ZINC000855135903 588823089 /nfs/dbraw/zinc/82/30/89/588823089.db2.gz YJIYYBPJSSRGEQ-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(C=O)cn1C ZINC000855135903 588823090 /nfs/dbraw/zinc/82/30/90/588823090.db2.gz YJIYYBPJSSRGEQ-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cn2c(n1)CCC2 ZINC000855135458 588823427 /nfs/dbraw/zinc/82/34/27/588823427.db2.gz MCGWYUDPNZPXKH-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cn2c(n1)CCC2 ZINC000855135458 588823428 /nfs/dbraw/zinc/82/34/28/588823428.db2.gz MCGWYUDPNZPXKH-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000855136872 588823493 /nfs/dbraw/zinc/82/34/93/588823493.db2.gz VTDXAIHBCBKILE-UHFFFAOYSA-N 1 2 234.263 0.293 20 0 BCADLO CCn1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000855136872 588823494 /nfs/dbraw/zinc/82/34/94/588823494.db2.gz VTDXAIHBCBKILE-UHFFFAOYSA-N 1 2 234.263 0.293 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000113239915 588827464 /nfs/dbraw/zinc/82/74/64/588827464.db2.gz JGKXTWHGDYQVSD-VWYCJHECSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000113239915 588827465 /nfs/dbraw/zinc/82/74/65/588827465.db2.gz JGKXTWHGDYQVSD-VWYCJHECSA-N 1 2 226.320 0.922 20 0 BCADLO COCC1(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000855339790 588828403 /nfs/dbraw/zinc/82/84/03/588828403.db2.gz VZNLGCFTRPXJCM-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO CCCOC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000859178827 582485862 /nfs/dbraw/zinc/48/58/62/582485862.db2.gz MGZIDIXCJOXYTC-PHIMTYICSA-N 1 2 242.319 0.986 20 0 BCADLO CCCOC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000859178827 582485863 /nfs/dbraw/zinc/48/58/63/582485863.db2.gz MGZIDIXCJOXYTC-PHIMTYICSA-N 1 2 242.319 0.986 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1nncs1 ZINC000014193475 582498929 /nfs/dbraw/zinc/49/89/29/582498929.db2.gz HLGXKCVOWFFILW-UHFFFAOYSA-N 1 2 212.278 0.572 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)F)[C@H](C)CO1 ZINC000855413052 588831763 /nfs/dbraw/zinc/83/17/63/588831763.db2.gz ZKWZFSXTDMSGQD-NXEZZACHSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)F)[C@H](C)CO1 ZINC000855413052 588831764 /nfs/dbraw/zinc/83/17/64/588831764.db2.gz ZKWZFSXTDMSGQD-NXEZZACHSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C(F)F)[C@H](C)CO1 ZINC000855413532 588831825 /nfs/dbraw/zinc/83/18/25/588831825.db2.gz MUKKGYZWGOWOHA-HTQZYQBOSA-N 1 2 236.262 0.477 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C(F)F)[C@H](C)CO1 ZINC000855413532 588831826 /nfs/dbraw/zinc/83/18/26/588831826.db2.gz MUKKGYZWGOWOHA-HTQZYQBOSA-N 1 2 236.262 0.477 20 0 BCADLO O=C(NCC[C@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000890713507 582511955 /nfs/dbraw/zinc/51/19/55/582511955.db2.gz IHSGJUVMBVMTQV-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(NCC[C@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000890713507 582511957 /nfs/dbraw/zinc/51/19/57/582511957.db2.gz IHSGJUVMBVMTQV-FOGDFJRCSA-N 1 2 249.314 0.790 20 0 BCADLO Cc1ncccc1CCNC(=O)Cn1cc[nH+]c1 ZINC000890832125 582578608 /nfs/dbraw/zinc/57/86/08/582578608.db2.gz IMDFSAHMEGSHNL-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000891255909 582642253 /nfs/dbraw/zinc/64/22/53/582642253.db2.gz COYXWNDNDRTTLW-DJLDLDEBSA-N 1 2 249.270 0.253 20 0 BCADLO COCCN(CCF)C(=O)Cn1cc[nH+]c1 ZINC000855592195 588840780 /nfs/dbraw/zinc/84/07/80/588840780.db2.gz VWNWVRMQPFWMFB-UHFFFAOYSA-N 1 2 229.255 0.328 20 0 BCADLO F[C@H]1CC2(CC[C@H]1[NH+]1CCOCC1)OCCO2 ZINC000891389549 582676280 /nfs/dbraw/zinc/67/62/80/582676280.db2.gz HCERMPUTNUWYHJ-WDEREUQCSA-N 1 2 245.294 0.952 20 0 BCADLO F[C@H]1CC2(CC[C@@H]1[NH+]1CCOCC1)OCCO2 ZINC000891389547 582676285 /nfs/dbraw/zinc/67/62/85/582676285.db2.gz HCERMPUTNUWYHJ-QWRGUYRKSA-N 1 2 245.294 0.952 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000891493747 582693516 /nfs/dbraw/zinc/69/35/16/582693516.db2.gz VSXAKFRKLVYUSP-SECBINFHSA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CCC[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000891493747 582693517 /nfs/dbraw/zinc/69/35/17/582693517.db2.gz VSXAKFRKLVYUSP-SECBINFHSA-N 1 2 249.318 0.244 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnn(C2CCC2)c1 ZINC000891583454 582699538 /nfs/dbraw/zinc/69/95/38/582699538.db2.gz ZTVPCTLEEADVEE-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnn(C2CCC2)c1 ZINC000891583454 582699540 /nfs/dbraw/zinc/69/95/40/582699540.db2.gz ZTVPCTLEEADVEE-UHFFFAOYSA-N 1 2 222.292 0.525 20 0 BCADLO C[C@]12COC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000855833051 588849648 /nfs/dbraw/zinc/84/96/48/588849648.db2.gz GESBLCAGXVZUKX-SKDRFNHKSA-N 1 2 235.287 0.447 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cnc1F ZINC000892240563 582811393 /nfs/dbraw/zinc/81/13/93/582811393.db2.gz HGCKMPDXKKYUHT-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)cnc1F ZINC000892240563 582811396 /nfs/dbraw/zinc/81/13/96/582811396.db2.gz HGCKMPDXKKYUHT-SNVBAGLBSA-N 1 2 237.278 0.849 20 0 BCADLO C[N@H+](Cc1cnn(C2CCC2)c1)[C@@H]1CCNC1=O ZINC000892240130 582811417 /nfs/dbraw/zinc/81/14/17/582811417.db2.gz DPSQNAMQOOGMFN-GFCCVEGCSA-N 1 2 248.330 0.928 20 0 BCADLO C[N@@H+](Cc1cnn(C2CCC2)c1)[C@@H]1CCNC1=O ZINC000892240130 582811419 /nfs/dbraw/zinc/81/14/19/582811419.db2.gz DPSQNAMQOOGMFN-GFCCVEGCSA-N 1 2 248.330 0.928 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000892241940 582812613 /nfs/dbraw/zinc/81/26/13/582812613.db2.gz MUKLXIDDLUXWMA-VIFPVBQESA-N 1 2 224.260 0.609 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000892241940 582812615 /nfs/dbraw/zinc/81/26/15/582812615.db2.gz MUKLXIDDLUXWMA-VIFPVBQESA-N 1 2 224.260 0.609 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(O)(C1CC1)C1CC1 ZINC000855912343 588853378 /nfs/dbraw/zinc/85/33/78/588853378.db2.gz SKZGQKZEZVOCBH-UHFFFAOYSA-N 1 2 249.314 0.620 20 0 BCADLO C[C@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000892540160 582908504 /nfs/dbraw/zinc/90/85/04/582908504.db2.gz DZJTWELBZBITFE-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000892540160 582908506 /nfs/dbraw/zinc/90/85/06/582908506.db2.gz DZJTWELBZBITFE-QMMMGPOBSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@@H](O)C1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000856127448 588861775 /nfs/dbraw/zinc/86/17/75/588861775.db2.gz BFGOYSZMHBZALL-SECBINFHSA-N 1 2 245.282 0.978 20 0 BCADLO CCc1cc(NCCNC(N)=O)nc(CC)[nH+]1 ZINC000892559515 582914320 /nfs/dbraw/zinc/91/43/20/582914320.db2.gz NQWDNPJYWFYLPM-UHFFFAOYSA-N 1 2 237.307 0.682 20 0 BCADLO C[C@H](O)CCN(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000892684441 582954283 /nfs/dbraw/zinc/95/42/83/582954283.db2.gz SAYXQHRKVXLDQZ-ZETCQYMHSA-N 1 2 237.307 0.538 20 0 BCADLO C[C@H](O)CCN(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000892684441 582954287 /nfs/dbraw/zinc/95/42/87/582954287.db2.gz SAYXQHRKVXLDQZ-ZETCQYMHSA-N 1 2 237.307 0.538 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281273 588866675 /nfs/dbraw/zinc/86/66/75/588866675.db2.gz NKCCTHADBGYZIP-DTWKUNHWSA-N 1 2 225.292 0.616 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000851874000 582974987 /nfs/dbraw/zinc/97/49/87/582974987.db2.gz WYODAIBDJMTAKF-SECBINFHSA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000851874000 582974988 /nfs/dbraw/zinc/97/49/88/582974988.db2.gz WYODAIBDJMTAKF-SECBINFHSA-N 1 2 235.287 0.937 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000851874000 582974989 /nfs/dbraw/zinc/97/49/89/582974989.db2.gz WYODAIBDJMTAKF-SECBINFHSA-N 1 2 235.287 0.937 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH+]ccn1C ZINC000856280754 588866760 /nfs/dbraw/zinc/86/67/60/588866760.db2.gz WBZFKCYYYQXTMA-BDAKNGLRSA-N 1 2 235.287 0.967 20 0 BCADLO CCONC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851919610 582979503 /nfs/dbraw/zinc/97/95/03/582979503.db2.gz UEWUBUSEOMXCPM-SNVBAGLBSA-N 1 2 243.307 0.054 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@H]1C ZINC000851975353 582987808 /nfs/dbraw/zinc/98/78/08/582987808.db2.gz QGCWVOWAWHAIRS-WCBMZHEXSA-N 1 2 238.291 0.231 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H]1C ZINC000851975353 582987809 /nfs/dbraw/zinc/98/78/09/582987809.db2.gz QGCWVOWAWHAIRS-WCBMZHEXSA-N 1 2 238.291 0.231 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCCOC2)c1 ZINC000892856707 582997401 /nfs/dbraw/zinc/99/74/01/582997401.db2.gz MSHUGZRFYXDTKU-VIFPVBQESA-N 1 2 238.291 0.398 20 0 BCADLO C[C@@H](O)c1cccc(NCCc2nnc[nH]2)[nH+]1 ZINC000892905467 583007743 /nfs/dbraw/zinc/00/77/43/583007743.db2.gz LFABUSTUZZTDBT-MRVPVSSYSA-N 1 2 233.275 0.908 20 0 BCADLO CCCCNC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000394748676 583012686 /nfs/dbraw/zinc/01/26/86/583012686.db2.gz MHWPGXKGWNXHRC-NSHDSACASA-N 1 2 240.351 0.086 20 0 BCADLO C[C@@H](O)c1cccc(N(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000893018833 583030148 /nfs/dbraw/zinc/03/01/48/583030148.db2.gz MUICOYMJMPJAHU-PSASIEDQSA-N 1 2 235.287 0.460 20 0 BCADLO CCc1cc(N(C)C[C@H](O)CO)nc(CC)[nH+]1 ZINC000893082632 583045507 /nfs/dbraw/zinc/04/55/07/583045507.db2.gz BVWMHOCRBHEHSW-JTQLQIEISA-N 1 2 239.319 0.391 20 0 BCADLO CC[C@@H](COC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893113530 583051546 /nfs/dbraw/zinc/05/15/46/583051546.db2.gz MJGYDEAYEPWQPC-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO C[C@@H](O)c1cccc(N2CC(CO)C2)[nH+]1 ZINC000893142944 583056278 /nfs/dbraw/zinc/05/62/78/583056278.db2.gz WOVRRSBKQBTHDX-MRVPVSSYSA-N 1 2 208.261 0.563 20 0 BCADLO COCC[N@H+](CC(C)C)Cn1nc(C)oc1=O ZINC000853488878 583057795 /nfs/dbraw/zinc/05/77/95/583057795.db2.gz AIWGMJNDHCBNIU-UHFFFAOYSA-N 1 2 243.307 0.707 20 0 BCADLO COCC[N@@H+](CC(C)C)Cn1nc(C)oc1=O ZINC000853488878 583057797 /nfs/dbraw/zinc/05/77/97/583057797.db2.gz AIWGMJNDHCBNIU-UHFFFAOYSA-N 1 2 243.307 0.707 20 0 BCADLO CN(C)c1cc(N(C)C2CC(O)C2)nc[nH+]1 ZINC000893167037 583062134 /nfs/dbraw/zinc/06/21/34/583062134.db2.gz FQAMPYSPUPVGHM-UHFFFAOYSA-N 1 2 222.292 0.502 20 0 BCADLO CN(C)c1cc(N(C)C2CC(O)C2)[nH+]cn1 ZINC000893167037 583062135 /nfs/dbraw/zinc/06/21/35/583062135.db2.gz FQAMPYSPUPVGHM-UHFFFAOYSA-N 1 2 222.292 0.502 20 0 BCADLO Nc1nc(N2CCC[C@@H]2CCO)nc(C2CC2)[nH+]1 ZINC000893275901 583082360 /nfs/dbraw/zinc/08/23/60/583082360.db2.gz WKMKXYRSYQXRLA-SECBINFHSA-N 1 2 249.318 0.682 20 0 BCADLO Nc1nc(C2CC2)[nH+]c(N2CCC[C@@H]2CCO)n1 ZINC000893275901 583082363 /nfs/dbraw/zinc/08/23/63/583082363.db2.gz WKMKXYRSYQXRLA-SECBINFHSA-N 1 2 249.318 0.682 20 0 BCADLO CC[C@@]1(O)CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000893279849 583083709 /nfs/dbraw/zinc/08/37/09/583083709.db2.gz SNZGOUNGOBMJCF-GFCCVEGCSA-N 1 2 236.319 0.894 20 0 BCADLO CC[C@@]1(O)CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000893279849 583083711 /nfs/dbraw/zinc/08/37/11/583083711.db2.gz SNZGOUNGOBMJCF-GFCCVEGCSA-N 1 2 236.319 0.894 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000310048254 583085849 /nfs/dbraw/zinc/08/58/49/583085849.db2.gz CVRWPUROAPTBKR-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000310048254 583085851 /nfs/dbraw/zinc/08/58/51/583085851.db2.gz CVRWPUROAPTBKR-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000310048257 583086303 /nfs/dbraw/zinc/08/63/03/583086303.db2.gz CVRWPUROAPTBKR-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000310048257 583086305 /nfs/dbraw/zinc/08/63/05/583086305.db2.gz CVRWPUROAPTBKR-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=CCC1 ZINC000855429891 583103886 /nfs/dbraw/zinc/10/38/86/583103886.db2.gz RCXNRQFKMDXDPL-GHMZBOCLSA-N 1 2 224.304 0.542 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=CCC1 ZINC000855429891 583103888 /nfs/dbraw/zinc/10/38/88/583103888.db2.gz RCXNRQFKMDXDPL-GHMZBOCLSA-N 1 2 224.304 0.542 20 0 BCADLO CCO/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000840593146 583109693 /nfs/dbraw/zinc/10/96/93/583109693.db2.gz ZEDQTIUPOVQQHB-ZPMKCOPCSA-N 1 2 243.303 0.801 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCc2cccn2C)c1 ZINC000893351088 583118794 /nfs/dbraw/zinc/11/87/94/583118794.db2.gz OYLIBTNZVKLPLE-UHFFFAOYSA-N 1 2 247.302 0.758 20 0 BCADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)C(=O)N(C)C ZINC000893459863 583147672 /nfs/dbraw/zinc/14/76/72/583147672.db2.gz CQKHNQVGBRCEIY-QMMMGPOBSA-N 1 2 237.307 0.431 20 0 BCADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)C(=O)N(C)C ZINC000893459863 583147673 /nfs/dbraw/zinc/14/76/73/583147673.db2.gz CQKHNQVGBRCEIY-QMMMGPOBSA-N 1 2 237.307 0.431 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000893479398 583151503 /nfs/dbraw/zinc/15/15/03/583151503.db2.gz VNDMFCUVBHHRTO-ZCFIWIBFSA-N 1 2 229.305 0.888 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CO ZINC000857729931 583161183 /nfs/dbraw/zinc/16/11/83/583161183.db2.gz ISCQUEFDBJTPIV-ZJUUUORDSA-N 1 2 237.303 0.429 20 0 BCADLO COCC[N@H+](CCO)Cc1cn(C)nc1Cl ZINC000857015545 588882212 /nfs/dbraw/zinc/88/22/12/588882212.db2.gz AQYKSTAVGSTEST-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COCC[N@@H+](CCO)Cc1cn(C)nc1Cl ZINC000857015545 588882213 /nfs/dbraw/zinc/88/22/13/588882213.db2.gz AQYKSTAVGSTEST-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO C[C@@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000893727534 583215777 /nfs/dbraw/zinc/21/57/77/583215777.db2.gz UXELMLPJKDPGGS-QMMMGPOBSA-N 1 2 206.249 0.546 20 0 BCADLO OC[C@H]1[C@@H]2CN(c3nccn4c[nH+]cc34)C[C@H]12 ZINC000893949460 583259070 /nfs/dbraw/zinc/25/90/70/583259070.db2.gz OTSJIIMFUYLIHB-MYJAWHEDSA-N 1 2 230.271 0.404 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnn1C1CCC1 ZINC000893964873 583262500 /nfs/dbraw/zinc/26/25/00/583262500.db2.gz GNLCAPLEUKQJHI-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnn1C1CCC1 ZINC000893964873 583262501 /nfs/dbraw/zinc/26/25/01/583262501.db2.gz GNLCAPLEUKQJHI-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(F)c(C)c1 ZINC000893965944 583263417 /nfs/dbraw/zinc/26/34/17/583263417.db2.gz XZJGEEDOLLUUFW-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(F)c(C)c1 ZINC000893965944 583263418 /nfs/dbraw/zinc/26/34/18/583263418.db2.gz XZJGEEDOLLUUFW-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(C2CCC2)c1 ZINC000893964500 583266358 /nfs/dbraw/zinc/26/63/58/583266358.db2.gz BDBKBQDDBMMNLT-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(C2CCC2)c1 ZINC000893964500 583266359 /nfs/dbraw/zinc/26/63/59/583266359.db2.gz BDBKBQDDBMMNLT-UHFFFAOYSA-N 1 2 236.319 0.915 20 0 BCADLO Cc1coc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000894086514 583295918 /nfs/dbraw/zinc/29/59/18/583295918.db2.gz WYKSHUXUXLNWST-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO Cc1coc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000894086514 583295921 /nfs/dbraw/zinc/29/59/21/583295921.db2.gz WYKSHUXUXLNWST-JTQLQIEISA-N 1 2 235.287 0.797 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC23CC(O)C3)c1 ZINC000888944664 583299473 /nfs/dbraw/zinc/29/94/73/583299473.db2.gz IUCYSBGSWGJFPL-VTPVEFSSSA-N 1 2 247.298 0.463 20 0 BCADLO Cc1n[nH]c(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1C ZINC000894094215 583299983 /nfs/dbraw/zinc/29/99/83/583299983.db2.gz JWYKVQUAKHNRNF-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1C ZINC000894094215 583299985 /nfs/dbraw/zinc/29/99/85/583299985.db2.gz JWYKVQUAKHNRNF-LDYMZIIASA-N 1 2 239.319 0.608 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000894096526 583300617 /nfs/dbraw/zinc/30/06/17/583300617.db2.gz VJTSJIPIPKLAQO-WPRPVWTQSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000894096526 583300619 /nfs/dbraw/zinc/30/06/19/583300619.db2.gz VJTSJIPIPKLAQO-WPRPVWTQSA-N 1 2 226.276 0.565 20 0 BCADLO CC(C)(C(=O)Nn1ccccc1=O)c1c[nH]c[nH+]1 ZINC000857172782 588891412 /nfs/dbraw/zinc/89/14/12/588891412.db2.gz AQSYSSJMZUINHD-UHFFFAOYSA-N 1 2 246.270 0.619 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000332859956 583302564 /nfs/dbraw/zinc/30/25/64/583302564.db2.gz MHBLBWQIBMQIGR-NOZJJQNGSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000332859956 583302566 /nfs/dbraw/zinc/30/25/66/583302566.db2.gz MHBLBWQIBMQIGR-NOZJJQNGSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000332859961 583302629 /nfs/dbraw/zinc/30/26/29/583302629.db2.gz MHBLBWQIBMQIGR-TVQRCGJNSA-N 1 2 249.314 0.810 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000332859961 583302630 /nfs/dbraw/zinc/30/26/30/583302630.db2.gz MHBLBWQIBMQIGR-TVQRCGJNSA-N 1 2 249.314 0.810 20 0 BCADLO CC[C@@H](Nc1cc(N(C)C)nc[nH+]1)C(=O)NC ZINC000894126819 583312408 /nfs/dbraw/zinc/31/24/08/583312408.db2.gz GTGKOMWVTHXOLT-MRVPVSSYSA-N 1 2 237.307 0.479 20 0 BCADLO CC[C@@H](Nc1cc(N(C)C)[nH+]cn1)C(=O)NC ZINC000894126819 583312411 /nfs/dbraw/zinc/31/24/11/583312411.db2.gz GTGKOMWVTHXOLT-MRVPVSSYSA-N 1 2 237.307 0.479 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894126860 583312558 /nfs/dbraw/zinc/31/25/58/583312558.db2.gz GYCFQLAZYHNSQU-APPZFPTMSA-N 1 2 249.318 0.538 20 0 BCADLO C[C@@H]1C[C@H](O)CN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894126860 583312559 /nfs/dbraw/zinc/31/25/59/583312559.db2.gz GYCFQLAZYHNSQU-APPZFPTMSA-N 1 2 249.318 0.538 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000877462565 583315447 /nfs/dbraw/zinc/31/54/47/583315447.db2.gz SQRXYFQUYVTWGD-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000877462565 583315448 /nfs/dbraw/zinc/31/54/48/583315448.db2.gz SQRXYFQUYVTWGD-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO CNc1cc(N2CC[C@@H](C(=O)N(C)C)C2)nc[nH+]1 ZINC000894195981 583335068 /nfs/dbraw/zinc/33/50/68/583335068.db2.gz VNRIMLUTPBHIAF-SECBINFHSA-N 1 2 249.318 0.433 20 0 BCADLO CNc1cc(N2CC[C@@H](C(=O)N(C)C)C2)[nH+]cn1 ZINC000894195981 583335069 /nfs/dbraw/zinc/33/50/69/583335069.db2.gz VNRIMLUTPBHIAF-SECBINFHSA-N 1 2 249.318 0.433 20 0 BCADLO CCONC(=O)C[NH2+]CC1(COC)CCC1 ZINC000877613667 583338511 /nfs/dbraw/zinc/33/85/11/583338511.db2.gz OWQAAHWDVXDMNK-UHFFFAOYSA-N 1 2 230.308 0.460 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253371 583343693 /nfs/dbraw/zinc/34/36/93/583343693.db2.gz BFDRFYRYWLTVKV-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253371 583343694 /nfs/dbraw/zinc/34/36/94/583343694.db2.gz BFDRFYRYWLTVKV-MNOVXSKESA-N 1 2 243.351 0.805 20 0 BCADLO CC(C)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726262021 583343727 /nfs/dbraw/zinc/34/37/27/583343727.db2.gz WAFYMDKXUCOEPL-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO CC(C)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726262021 583343728 /nfs/dbraw/zinc/34/37/28/583343728.db2.gz WAFYMDKXUCOEPL-NSHDSACASA-N 1 2 243.351 0.662 20 0 BCADLO C[N@H+](Cc1nnc2c(=O)[nH]ccn12)C1CCC1 ZINC000878135874 583362787 /nfs/dbraw/zinc/36/27/87/583362787.db2.gz OOWDWSALSXKSFB-UHFFFAOYSA-N 1 2 233.275 0.402 20 0 BCADLO C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C1CCC1 ZINC000878135874 583362788 /nfs/dbraw/zinc/36/27/88/583362788.db2.gz OOWDWSALSXKSFB-UHFFFAOYSA-N 1 2 233.275 0.402 20 0 BCADLO CCC(C)(C)NC(=O)C[N@@H+]1CCCNC(=O)C1 ZINC000726791174 583374726 /nfs/dbraw/zinc/37/47/26/583374726.db2.gz PWSGCVJETONSOA-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CCC(C)(C)NC(=O)C[N@H+]1CCCNC(=O)C1 ZINC000726791174 583374727 /nfs/dbraw/zinc/37/47/27/583374727.db2.gz PWSGCVJETONSOA-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2c[nH+]cn2C)[nH]1 ZINC000857260658 588901988 /nfs/dbraw/zinc/90/19/88/588901988.db2.gz HAHQJDHXWHYXDS-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO C[C@]1([NH2+]C[C@@H]2CCc3ncnn32)CCOC1=O ZINC000878633242 583387489 /nfs/dbraw/zinc/38/74/89/583387489.db2.gz WKIGOIZJNSGNDZ-KWQFWETISA-N 1 2 236.275 0.061 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894244522 583388724 /nfs/dbraw/zinc/38/87/24/583388724.db2.gz SENQGJQEODAOHN-SNVBAGLBSA-N 1 2 249.318 0.257 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894244522 583388726 /nfs/dbraw/zinc/38/87/26/583388726.db2.gz SENQGJQEODAOHN-SNVBAGLBSA-N 1 2 249.318 0.257 20 0 BCADLO Nc1cc(COC(=O)Cn2cccn2)cc[nH+]1 ZINC000791548851 583425378 /nfs/dbraw/zinc/42/53/78/583425378.db2.gz LXCMTLDQDGWCBW-UHFFFAOYSA-N 1 2 232.243 0.604 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CN1CCC1=O ZINC000857233124 588898206 /nfs/dbraw/zinc/89/82/06/588898206.db2.gz WZPKUXACGIOQOA-QMMMGPOBSA-N 1 2 200.307 0.614 20 0 BCADLO C[C@H]1CSCC[N@H+]1CN1CCC1=O ZINC000857233124 588898208 /nfs/dbraw/zinc/89/82/08/588898208.db2.gz WZPKUXACGIOQOA-QMMMGPOBSA-N 1 2 200.307 0.614 20 0 BCADLO Cc1ncoc1CN[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000894345212 583430165 /nfs/dbraw/zinc/43/01/65/583430165.db2.gz FLZLMHBJAICYJD-CMPLNLGQSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1ncoc1CN[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000894345212 583430166 /nfs/dbraw/zinc/43/01/66/583430166.db2.gz FLZLMHBJAICYJD-CMPLNLGQSA-N 1 2 239.319 0.792 20 0 BCADLO O=C1CCN1C[N@@H+]1CCOC2(CCC2)C1 ZINC000857233290 588898320 /nfs/dbraw/zinc/89/83/20/588898320.db2.gz CXKRKLWFJXBOID-UHFFFAOYSA-N 1 2 210.277 0.431 20 0 BCADLO O=C1CCN1C[N@H+]1CCOC2(CCC2)C1 ZINC000857233290 588898321 /nfs/dbraw/zinc/89/83/21/588898321.db2.gz CXKRKLWFJXBOID-UHFFFAOYSA-N 1 2 210.277 0.431 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2ocnc2C)C1 ZINC000894346994 583431282 /nfs/dbraw/zinc/43/12/82/583431282.db2.gz YCAPQBKNQMTNHH-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO O=C1CCN1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000857233326 588898430 /nfs/dbraw/zinc/89/84/30/588898430.db2.gz APEIONJDUGCUQT-SNVBAGLBSA-N 1 2 210.277 0.287 20 0 BCADLO O=C1CCN1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000857233326 588898432 /nfs/dbraw/zinc/89/84/32/588898432.db2.gz APEIONJDUGCUQT-SNVBAGLBSA-N 1 2 210.277 0.287 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894353717 583434398 /nfs/dbraw/zinc/43/43/98/583434398.db2.gz DVCOFOIAXOGYNE-JMJZKYOTSA-N 1 2 238.287 0.961 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCC2=O)[C@@H](C)[C@H](C)O1 ZINC000857235139 588899159 /nfs/dbraw/zinc/89/91/59/588899159.db2.gz OULAEYRNCBAJFJ-UTLUCORTSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCC2=O)[C@@H](C)[C@H](C)O1 ZINC000857235139 588899161 /nfs/dbraw/zinc/89/91/61/588899161.db2.gz OULAEYRNCBAJFJ-UTLUCORTSA-N 1 2 212.293 0.674 20 0 BCADLO C[C@H]1C[N@H+](CN2CCC2=O)C[C@H](C2CC2)O1 ZINC000857234796 588899219 /nfs/dbraw/zinc/89/92/19/588899219.db2.gz MOUNBANAMSBREF-GXSJLCMTSA-N 1 2 224.304 0.676 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCC2=O)C[C@H](C2CC2)O1 ZINC000857234796 588899220 /nfs/dbraw/zinc/89/92/20/588899220.db2.gz MOUNBANAMSBREF-GXSJLCMTSA-N 1 2 224.304 0.676 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC12CC2 ZINC000519356223 583448713 /nfs/dbraw/zinc/44/87/13/583448713.db2.gz PSTQVDZKICJUBZ-JTQLQIEISA-N 1 2 234.303 0.982 20 0 BCADLO CO[C@](C)(CO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894421934 583457410 /nfs/dbraw/zinc/45/74/10/583457410.db2.gz GEWGDXJYINXJHW-SKDRFNHKSA-N 1 2 240.303 0.944 20 0 BCADLO Cn1cc(C[NH2+]Cc2cnn(C)n2)c(C2CC2)n1 ZINC000894438110 583460065 /nfs/dbraw/zinc/46/00/65/583460065.db2.gz BKQUGKBJQLYIPP-UHFFFAOYSA-N 1 2 246.318 0.716 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000894492811 583472698 /nfs/dbraw/zinc/47/26/98/583472698.db2.gz QQKDSTLJCTVUHP-VIFPVBQESA-N 1 2 238.287 0.999 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000894492811 583472701 /nfs/dbraw/zinc/47/27/01/583472701.db2.gz QQKDSTLJCTVUHP-VIFPVBQESA-N 1 2 238.287 0.999 20 0 BCADLO Cn1cnnc1C[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000894514015 583476246 /nfs/dbraw/zinc/47/62/46/583476246.db2.gz CQJRMSMYWIFGFH-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cn1cnnc1C[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000894514015 583476248 /nfs/dbraw/zinc/47/62/48/583476248.db2.gz CQJRMSMYWIFGFH-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000894538458 583480075 /nfs/dbraw/zinc/48/00/75/583480075.db2.gz QOVFRGDVXUBSHG-SCZZXKLOSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000894538458 583480076 /nfs/dbraw/zinc/48/00/76/583480076.db2.gz QOVFRGDVXUBSHG-SCZZXKLOSA-N 1 2 226.276 0.565 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2cc(C)no2)C1 ZINC000894541776 583480918 /nfs/dbraw/zinc/48/09/18/583480918.db2.gz DATUEYZFHZWBML-UHFFFAOYSA-N 1 2 239.275 0.913 20 0 BCADLO CSCCONC(=O)NCc1cn(C)c[nH+]1 ZINC000894540893 583481136 /nfs/dbraw/zinc/48/11/36/583481136.db2.gz OFEFHTAZAUFHFN-UHFFFAOYSA-N 1 2 244.320 0.514 20 0 BCADLO COC(=O)N1CC(C)([NH2+]Cc2ccon2)C1 ZINC000894541770 583481262 /nfs/dbraw/zinc/48/12/62/583481262.db2.gz CVIXLYFFTKBAIZ-UHFFFAOYSA-N 1 2 225.248 0.605 20 0 BCADLO CNc1cc(N2C[C@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000894564161 583484273 /nfs/dbraw/zinc/48/42/73/583484273.db2.gz PHQLSLAABHOAME-JOYOIKCWSA-N 1 2 234.303 0.991 20 0 BCADLO CNc1cc(N2C[C@H]3COC[C@@]3(C)C2)[nH+]cn1 ZINC000894564161 583484274 /nfs/dbraw/zinc/48/42/74/583484274.db2.gz PHQLSLAABHOAME-JOYOIKCWSA-N 1 2 234.303 0.991 20 0 BCADLO c1ncc(C[NH+]2CC([C@H]3CCOC3)C2)[nH]1 ZINC000894604065 583491099 /nfs/dbraw/zinc/49/10/99/583491099.db2.gz HWYAPEKHYCMRMU-VIFPVBQESA-N 1 2 207.277 0.878 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1C ZINC000894592971 583492138 /nfs/dbraw/zinc/49/21/38/583492138.db2.gz NITCEZLRURPWHQ-ZDUSSCGKSA-N 1 2 248.330 0.739 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1C ZINC000894592971 583492139 /nfs/dbraw/zinc/49/21/39/583492139.db2.gz NITCEZLRURPWHQ-ZDUSSCGKSA-N 1 2 248.330 0.739 20 0 BCADLO CC(C)(C)c1nc(N[C@H]2C[C@H](O)C2)nc(N)[nH+]1 ZINC000894641452 583499631 /nfs/dbraw/zinc/49/96/31/583499631.db2.gz RPIXTVWBFMOPNC-LJGSYFOKSA-N 1 2 237.307 0.687 20 0 BCADLO CC(C)(C)c1nc(N)nc(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000894641452 583499635 /nfs/dbraw/zinc/49/96/35/583499635.db2.gz RPIXTVWBFMOPNC-LJGSYFOKSA-N 1 2 237.307 0.687 20 0 BCADLO F[C@@H]1CC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000894670639 583503012 /nfs/dbraw/zinc/50/30/12/583503012.db2.gz JMARAOMMBUPITM-SECBINFHSA-N 1 2 225.267 0.957 20 0 BCADLO F[C@@H]1CC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC000894670639 583503014 /nfs/dbraw/zinc/50/30/14/583503014.db2.gz JMARAOMMBUPITM-SECBINFHSA-N 1 2 225.267 0.957 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@H]1C[C@@H](C(N)=O)C1 ZINC000894781339 583520262 /nfs/dbraw/zinc/52/02/62/583520262.db2.gz AZPZTSPMBRXFDS-DTORHVGOSA-N 1 2 245.286 0.429 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@H]1CCC13CCC3)CC2 ZINC000894810601 583523450 /nfs/dbraw/zinc/52/34/50/583523450.db2.gz RPZUEOHHMLUWLT-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@H]1CCC13CCC3)CC2 ZINC000894810601 583523452 /nfs/dbraw/zinc/52/34/52/583523452.db2.gz RPZUEOHHMLUWLT-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO Cn1ncc(C[NH+]2CC(C)(O)C2)c1C1CC1 ZINC000894830624 583527500 /nfs/dbraw/zinc/52/75/00/583527500.db2.gz NKJXEESFGQKWIQ-UHFFFAOYSA-N 1 2 221.304 0.864 20 0 BCADLO CC1(O)C[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894830605 583527737 /nfs/dbraw/zinc/52/77/37/583527737.db2.gz NDOJLOVJUPPASD-ZJUUUORDSA-N 1 2 245.294 0.687 20 0 BCADLO CCn1cc(C[NH+]2CC3(C2)CCOCC3)nn1 ZINC000894830488 583527853 /nfs/dbraw/zinc/52/78/53/583527853.db2.gz PCAFXEABSKEDFI-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO COc1ccc(C[NH+]2CC(C)(CO)C2)nc1 ZINC000894840574 583529739 /nfs/dbraw/zinc/52/97/39/583529739.db2.gz MNYCZDLTVDSMIZ-UHFFFAOYSA-N 1 2 222.288 0.904 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000894849836 583531938 /nfs/dbraw/zinc/53/19/38/583531938.db2.gz HRGKWCVIGOPILE-UHFFFAOYSA-N 1 2 224.308 0.724 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000894849836 583531940 /nfs/dbraw/zinc/53/19/40/583531940.db2.gz HRGKWCVIGOPILE-UHFFFAOYSA-N 1 2 224.308 0.724 20 0 BCADLO c1snnc1C[NH2+]C[C@H]1COCO1 ZINC000894875683 583541368 /nfs/dbraw/zinc/54/13/68/583541368.db2.gz GGVBAAZUIQWABT-ZETCQYMHSA-N 1 2 201.251 0.001 20 0 BCADLO c1snnc1C[NH2+]C[C@@H]1COCO1 ZINC000894875672 583541385 /nfs/dbraw/zinc/54/13/85/583541385.db2.gz GGVBAAZUIQWABT-SSDOTTSWSA-N 1 2 201.251 0.001 20 0 BCADLO C[N@@H+]1CCN(c2ncc(Cl)s2)C[C@H]1CO ZINC000894880149 583543856 /nfs/dbraw/zinc/54/38/56/583543856.db2.gz AOCGNHOIOFNWOI-ZETCQYMHSA-N 1 2 247.751 0.909 20 0 BCADLO C[N@H+]1CCN(c2ncc(Cl)s2)C[C@H]1CO ZINC000894880149 583543858 /nfs/dbraw/zinc/54/38/58/583543858.db2.gz AOCGNHOIOFNWOI-ZETCQYMHSA-N 1 2 247.751 0.909 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1COCO1)C(=O)OC(C)(C)C ZINC000894889457 583547111 /nfs/dbraw/zinc/54/71/11/583547111.db2.gz PBBKQHJFLPRQBH-BDAKNGLRSA-N 1 2 231.292 0.679 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCc2ncncc2C1 ZINC000880597128 583547623 /nfs/dbraw/zinc/54/76/23/583547623.db2.gz OJQGSWRIKGPZCL-LLVKDONJSA-N 1 2 232.287 0.113 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCc2ncncc2C1 ZINC000880597128 583547625 /nfs/dbraw/zinc/54/76/25/583547625.db2.gz OJQGSWRIKGPZCL-LLVKDONJSA-N 1 2 232.287 0.113 20 0 BCADLO O=C(NC1CSC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000880728991 583548769 /nfs/dbraw/zinc/54/87/69/583548769.db2.gz CWRDOYJGRYIFHI-QMMMGPOBSA-N 1 2 237.328 0.677 20 0 BCADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)COC(C)=O ZINC000894897156 583550874 /nfs/dbraw/zinc/55/08/74/583550874.db2.gz JQYWVHCUYPKSRN-GZMMTYOYSA-N 1 2 243.303 0.869 20 0 BCADLO CC(C)c1c[nH]c(CN2CC(=O)N[C@H](C)C2)[nH+]1 ZINC000894904132 583552883 /nfs/dbraw/zinc/55/28/83/583552883.db2.gz ZJZJBTBCHNTKCQ-SECBINFHSA-N 1 2 236.319 0.853 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000895014399 583568940 /nfs/dbraw/zinc/56/89/40/583568940.db2.gz IWRQLYLLHHVHKZ-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000895014399 583568941 /nfs/dbraw/zinc/56/89/41/583568941.db2.gz IWRQLYLLHHVHKZ-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO c1nc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c[nH]1 ZINC000895072269 583579406 /nfs/dbraw/zinc/57/94/06/583579406.db2.gz ATDHHPKAHJUTGE-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1nc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c[nH]1 ZINC000895072269 583579408 /nfs/dbraw/zinc/57/94/08/583579408.db2.gz ATDHHPKAHJUTGE-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1ncc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)[nH]1 ZINC000895072269 583579410 /nfs/dbraw/zinc/57/94/10/583579410.db2.gz ATDHHPKAHJUTGE-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO c1ncc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)[nH]1 ZINC000895072269 583579412 /nfs/dbraw/zinc/57/94/12/583579412.db2.gz ATDHHPKAHJUTGE-SNVBAGLBSA-N 1 2 244.302 0.886 20 0 BCADLO Cc1nonc1CNc1cc(N(C)C)nc[nH+]1 ZINC000895091211 583586628 /nfs/dbraw/zinc/58/66/28/583586628.db2.gz BUTACAUFTWOOFE-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO Cc1nonc1CNc1cc(N(C)C)[nH+]cn1 ZINC000895091211 583586629 /nfs/dbraw/zinc/58/66/29/583586629.db2.gz BUTACAUFTWOOFE-UHFFFAOYSA-N 1 2 234.263 0.846 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1c[nH+]c[nH]1 ZINC000895121406 583595778 /nfs/dbraw/zinc/59/57/78/583595778.db2.gz QDOKXZNJYQYKCG-DJLDLDEBSA-N 1 2 222.292 0.507 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1c[nH]c[nH+]1 ZINC000895121406 583595779 /nfs/dbraw/zinc/59/57/79/583595779.db2.gz QDOKXZNJYQYKCG-DJLDLDEBSA-N 1 2 222.292 0.507 20 0 BCADLO Cc1c[nH]c(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)[nH+]1 ZINC000895122454 583596392 /nfs/dbraw/zinc/59/63/92/583596392.db2.gz VFUSRVIQFNWXMJ-IVZWLZJFSA-N 1 2 236.319 0.815 20 0 BCADLO CC(C)(C)c1nc(N2C[C@H]3C[C@@]3(O)C2)nc(N)[nH+]1 ZINC000895158280 583608353 /nfs/dbraw/zinc/60/83/53/583608353.db2.gz WJJOWGMPRPHZCB-JMCQJSRRSA-N 1 2 249.318 0.322 20 0 BCADLO CNc1cc(N2CCc3ncncc3C2)nc[nH+]1 ZINC000895176342 583616046 /nfs/dbraw/zinc/61/60/46/583616046.db2.gz QNQFTWSQXHJRGM-UHFFFAOYSA-N 1 2 242.286 0.871 20 0 BCADLO CNc1cc(N2CCc3ncncc3C2)[nH+]cn1 ZINC000895176342 583616047 /nfs/dbraw/zinc/61/60/47/583616047.db2.gz QNQFTWSQXHJRGM-UHFFFAOYSA-N 1 2 242.286 0.871 20 0 BCADLO CCOC1CC([NH2+][C@@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895177360 583616195 /nfs/dbraw/zinc/61/61/95/583616195.db2.gz RDJMXPDUJSIPJL-UEJVZZJDSA-N 1 2 240.307 0.739 20 0 BCADLO CON(C)C(=O)CC[N@H+](C)Cc1cscn1 ZINC000788013492 583616871 /nfs/dbraw/zinc/61/68/71/583616871.db2.gz SCYAIGNTBUKOOV-UHFFFAOYSA-N 1 2 243.332 0.985 20 0 BCADLO CON(C)C(=O)CC[N@@H+](C)Cc1cscn1 ZINC000788013492 583616873 /nfs/dbraw/zinc/61/68/73/583616873.db2.gz SCYAIGNTBUKOOV-UHFFFAOYSA-N 1 2 243.332 0.985 20 0 BCADLO C/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727178246 583620081 /nfs/dbraw/zinc/62/00/81/583620081.db2.gz QWSAWWYZKGPCMG-ARJAWSKDSA-N 1 2 212.293 0.353 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1n[nH]c(=O)n1C ZINC000895194636 583622243 /nfs/dbraw/zinc/62/22/43/583622243.db2.gz GQEHZKYCXKJXJL-ZETCQYMHSA-N 1 2 249.274 0.472 20 0 BCADLO COC(=O)c1cnc(C[NH2+]C/C=C\CO)s1 ZINC000895247581 583632509 /nfs/dbraw/zinc/63/25/09/583632509.db2.gz FRGHXTSEWISZKB-IHWYPQMZSA-N 1 2 242.300 0.568 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857873790 588918176 /nfs/dbraw/zinc/91/81/76/588918176.db2.gz AFCNPXGESBCRBO-UHFFFAOYSA-N 1 2 248.286 0.243 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857873790 588918177 /nfs/dbraw/zinc/91/81/77/588918177.db2.gz AFCNPXGESBCRBO-UHFFFAOYSA-N 1 2 248.286 0.243 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCCF ZINC000895303071 583644884 /nfs/dbraw/zinc/64/48/84/583644884.db2.gz CWBCZIUXALCVGJ-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCCF ZINC000895303071 583644886 /nfs/dbraw/zinc/64/48/86/583644886.db2.gz CWBCZIUXALCVGJ-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000857877495 588918682 /nfs/dbraw/zinc/91/86/82/588918682.db2.gz OMGWIKMGTLAUPD-LBPRGKRZSA-N 1 2 222.288 0.795 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000857877495 588918684 /nfs/dbraw/zinc/91/86/84/588918684.db2.gz OMGWIKMGTLAUPD-LBPRGKRZSA-N 1 2 222.288 0.795 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1Cc2ccncc2C1 ZINC000857879716 588919234 /nfs/dbraw/zinc/91/92/34/588919234.db2.gz OKVPMAHOXLJJMA-LBPRGKRZSA-N 1 2 220.272 0.737 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1Cc2ccncc2C1 ZINC000857879716 588919235 /nfs/dbraw/zinc/91/92/35/588919235.db2.gz OKVPMAHOXLJJMA-LBPRGKRZSA-N 1 2 220.272 0.737 20 0 BCADLO C[N@H+](CC1(C)CCC1)C1CS(=O)(=O)C1 ZINC000895398536 583665436 /nfs/dbraw/zinc/66/54/36/583665436.db2.gz UKZRQMRXUFPEIM-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO C[N@@H+](CC1(C)CCC1)C1CS(=O)(=O)C1 ZINC000895398536 583665437 /nfs/dbraw/zinc/66/54/37/583665437.db2.gz UKZRQMRXUFPEIM-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO Cc1[nH]nc(CN2CC[N@@H+](C)C[C@H]2CO)c1C ZINC000895359443 583659371 /nfs/dbraw/zinc/65/93/71/583659371.db2.gz VMORGKPGBPEJHG-NSHDSACASA-N 1 2 238.335 0.135 20 0 BCADLO NC(=[NH+]OCCN1CCOC1=O)c1ccccc1 ZINC000882941393 583660724 /nfs/dbraw/zinc/66/07/24/583660724.db2.gz PXEQZVCGSKYFHX-UHFFFAOYSA-N 1 2 249.270 0.985 20 0 BCADLO Cc1coc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000895371241 583661449 /nfs/dbraw/zinc/66/14/49/583661449.db2.gz NHJYMLOXMCHFNS-SCZZXKLOSA-N 1 2 224.260 0.009 20 0 BCADLO Cc1coc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000895371241 583661451 /nfs/dbraw/zinc/66/14/51/583661451.db2.gz NHJYMLOXMCHFNS-SCZZXKLOSA-N 1 2 224.260 0.009 20 0 BCADLO COCC(C)(C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895398388 583665380 /nfs/dbraw/zinc/66/53/80/583665380.db2.gz RAUCHWRNYJKULU-UHFFFAOYSA-N 1 2 235.349 0.388 20 0 BCADLO COCC(C)(C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895398388 583665381 /nfs/dbraw/zinc/66/53/81/583665381.db2.gz RAUCHWRNYJKULU-UHFFFAOYSA-N 1 2 235.349 0.388 20 0 BCADLO Cc1cc(CNC(=O)N2CC[C@H]2CO)cc(C)[nH+]1 ZINC000895411591 583666373 /nfs/dbraw/zinc/66/63/73/583666373.db2.gz OUAFIXJZYWNYSR-LBPRGKRZSA-N 1 2 249.314 0.975 20 0 BCADLO Cc1cc(CNC(=O)N2CC[C@@H]2CO)cc(C)[nH+]1 ZINC000895411588 583666723 /nfs/dbraw/zinc/66/67/23/583666723.db2.gz OUAFIXJZYWNYSR-GFCCVEGCSA-N 1 2 249.314 0.975 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1C ZINC000895415753 583667349 /nfs/dbraw/zinc/66/73/49/583667349.db2.gz YCCIJUDZINUKON-NXEZZACHSA-N 1 2 235.287 0.631 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1C ZINC000895415753 583667351 /nfs/dbraw/zinc/66/73/51/583667351.db2.gz YCCIJUDZINUKON-NXEZZACHSA-N 1 2 235.287 0.631 20 0 BCADLO COCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895431209 583669988 /nfs/dbraw/zinc/66/99/88/583669988.db2.gz LQJOFUFWLJZCKC-UHFFFAOYSA-N 1 2 225.292 0.689 20 0 BCADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCCO1 ZINC000857885658 588920383 /nfs/dbraw/zinc/92/03/83/588920383.db2.gz YJWGXUVYAXPFET-GXFFZTMASA-N 1 2 249.314 0.883 20 0 BCADLO CC(F)(F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884783 588920402 /nfs/dbraw/zinc/92/04/02/588920402.db2.gz FBLAAGMZDFEJKW-LURJTMIESA-N 1 2 215.203 0.579 20 0 BCADLO COC/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885779 588920535 /nfs/dbraw/zinc/92/05/35/588920535.db2.gz OUNYGYNKOGRDHI-PKRMOACSSA-N 1 2 221.260 0.127 20 0 BCADLO C[C@H]([NH2+]Cc1c[nH]cn1)[C@@H](O)C(F)(F)F ZINC000895444522 583674731 /nfs/dbraw/zinc/67/47/31/583674731.db2.gz NJKQAINRLNSLPU-CAHLUQPWSA-N 1 2 223.198 0.811 20 0 BCADLO CCO/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885288 588920697 /nfs/dbraw/zinc/92/06/97/588920697.db2.gz NJYLQFJLJZHTGS-TYRPZCRBSA-N 1 2 221.260 0.474 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884819 588920711 /nfs/dbraw/zinc/92/07/11/588920711.db2.gz GCJFDPPWFBHBPO-WPRPVWTQSA-N 1 2 234.259 0.089 20 0 BCADLO CCO/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885286 588920910 /nfs/dbraw/zinc/92/09/10/588920910.db2.gz NJYLQFJLJZHTGS-NWALNABHSA-N 1 2 221.260 0.474 20 0 BCADLO CCn1cc(C[N@@H+]2CCc3n[nH]nc3C2)c(C)n1 ZINC000895474749 583679522 /nfs/dbraw/zinc/67/95/22/583679522.db2.gz YWJYJNUWBOVUPV-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1cc(C[N@H+]2CCc3n[nH]nc3C2)c(C)n1 ZINC000895474749 583679523 /nfs/dbraw/zinc/67/95/23/583679523.db2.gz YWJYJNUWBOVUPV-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1cc(C[N@H+](C)CC(=O)NC)c(C)n1 ZINC000895473325 583679774 /nfs/dbraw/zinc/67/97/74/583679774.db2.gz MVCCDOKZCMBYDW-UHFFFAOYSA-N 1 2 224.308 0.389 20 0 BCADLO CCn1cc(C[N@@H+](C)CC(=O)NC)c(C)n1 ZINC000895473325 583679776 /nfs/dbraw/zinc/67/97/76/583679776.db2.gz MVCCDOKZCMBYDW-UHFFFAOYSA-N 1 2 224.308 0.389 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(F)cc1C ZINC000895472423 583680172 /nfs/dbraw/zinc/68/01/72/583680172.db2.gz DEOYILFZEUJQNF-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(F)cc1C ZINC000895472423 583680173 /nfs/dbraw/zinc/68/01/73/583680173.db2.gz DEOYILFZEUJQNF-UHFFFAOYSA-N 1 2 225.267 0.707 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c2c(nn1C)CCC2 ZINC000895472388 583680472 /nfs/dbraw/zinc/68/04/72/583680472.db2.gz BSYMMDWAVPUKJG-UHFFFAOYSA-N 1 2 236.319 0.087 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c2c(nn1C)CCC2 ZINC000895472388 583680473 /nfs/dbraw/zinc/68/04/73/583680473.db2.gz BSYMMDWAVPUKJG-UHFFFAOYSA-N 1 2 236.319 0.087 20 0 BCADLO Cc1cc[nH]c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886011 588921258 /nfs/dbraw/zinc/92/12/58/588921258.db2.gz RQKWNHZMMDIAEN-VIFPVBQESA-N 1 2 230.271 0.874 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886745 588921305 /nfs/dbraw/zinc/92/13/05/588921305.db2.gz COTFMAQCBFJNDI-DTWKUNHWSA-N 1 2 223.276 0.349 20 0 BCADLO CCONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895527100 583684563 /nfs/dbraw/zinc/68/45/63/583684563.db2.gz UKOMOMIEOGVVME-JTQLQIEISA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895527100 583684564 /nfs/dbraw/zinc/68/45/64/583684564.db2.gz UKOMOMIEOGVVME-JTQLQIEISA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895527100 583684565 /nfs/dbraw/zinc/68/45/65/583684565.db2.gz UKOMOMIEOGVVME-JTQLQIEISA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000895527100 583684566 /nfs/dbraw/zinc/68/45/66/583684566.db2.gz UKOMOMIEOGVVME-JTQLQIEISA-N 1 2 238.291 0.858 20 0 BCADLO c1[nH]nnc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000895532215 583685538 /nfs/dbraw/zinc/68/55/38/583685538.db2.gz NSAPWSBTFVTKAI-QMMMGPOBSA-N 1 2 208.265 0.606 20 0 BCADLO c1n[nH]nc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000895532215 583685539 /nfs/dbraw/zinc/68/55/39/583685539.db2.gz NSAPWSBTFVTKAI-QMMMGPOBSA-N 1 2 208.265 0.606 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=COCCC1 ZINC000857887464 588921410 /nfs/dbraw/zinc/92/14/10/588921410.db2.gz LFBCCTSGLYEGDW-JTQLQIEISA-N 1 2 233.271 0.618 20 0 BCADLO COC(OC)C(=O)NCCNc1cccc[nH+]1 ZINC000895607968 583695295 /nfs/dbraw/zinc/69/52/95/583695295.db2.gz FFOQRHNMFQYEEN-UHFFFAOYSA-N 1 2 239.275 0.229 20 0 BCADLO CCSCC[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619439 583697028 /nfs/dbraw/zinc/69/70/28/583697028.db2.gz WZLOGXJRMYZXIF-UHFFFAOYSA-N 1 2 242.348 0.071 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000895665179 583703232 /nfs/dbraw/zinc/70/32/32/583703232.db2.gz GEYSPSVHPNZPEI-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000895665179 583703233 /nfs/dbraw/zinc/70/32/33/583703233.db2.gz GEYSPSVHPNZPEI-SSDOTTSWSA-N 1 2 223.280 0.616 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000895703225 583709450 /nfs/dbraw/zinc/70/94/50/583709450.db2.gz ATOSRODNGVECAU-AXFHLTTASA-N 1 2 237.303 0.813 20 0 BCADLO CC[C@@H]1CC[C@H]1[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000895743412 583716217 /nfs/dbraw/zinc/71/62/17/583716217.db2.gz HUCSAEFZBZYSRS-KYXWUPHJSA-N 1 2 215.293 0.687 20 0 BCADLO CC[C@H](C)[C@H](C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895743718 583716269 /nfs/dbraw/zinc/71/62/69/583716269.db2.gz LUNSVQAEVSPPMC-VLEAKVRGSA-N 1 2 247.335 0.560 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895756012 583720353 /nfs/dbraw/zinc/72/03/53/583720353.db2.gz DGYLPTYWQUWOHZ-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Cc1ncc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895756012 583720355 /nfs/dbraw/zinc/72/03/55/583720355.db2.gz DGYLPTYWQUWOHZ-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000895809209 583729870 /nfs/dbraw/zinc/72/98/70/583729870.db2.gz QVJPMAKDMDDRRM-GJMOJQLCSA-N 1 2 201.291 0.786 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000895798573 583731052 /nfs/dbraw/zinc/73/10/52/583731052.db2.gz HJBVWFJPADAAAW-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO CO[C@H]1CCC[C@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895806531 583732320 /nfs/dbraw/zinc/73/23/20/583732320.db2.gz AIWMJYDBMJHMKT-GUBZILKMSA-N 1 2 213.277 0.849 20 0 BCADLO CCN(CCC(N)=O)c1[nH+]c(C)nc2[nH]ccc21 ZINC000895889717 583739813 /nfs/dbraw/zinc/73/98/13/583739813.db2.gz RVHYAHGHLNETHO-UHFFFAOYSA-N 1 2 247.302 0.968 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=COCC1 ZINC000857962924 588925920 /nfs/dbraw/zinc/92/59/20/588925920.db2.gz OJVKCOHKWJNLLU-JTQLQIEISA-N 1 2 233.271 0.618 20 0 BCADLO C[C@H]1COC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000895911892 583745763 /nfs/dbraw/zinc/74/57/63/583745763.db2.gz ZMTHTPLPYPXFEN-XPUUQOCRSA-N 1 2 248.290 0.392 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](Cc2cncnc2)[C@@H](C)C(=O)N1C ZINC000895920721 583746673 /nfs/dbraw/zinc/74/66/73/583746673.db2.gz LSVILNCVYVZUJV-VWYCJHECSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cncnc2)[C@@H](C)C(=O)N1C ZINC000895920721 583746675 /nfs/dbraw/zinc/74/66/75/583746675.db2.gz LSVILNCVYVZUJV-VWYCJHECSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cnccn1 ZINC000895922300 583746809 /nfs/dbraw/zinc/74/68/09/583746809.db2.gz RCURUFHFSCTOCO-GMTAPVOTSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cnccn1 ZINC000895922300 583746811 /nfs/dbraw/zinc/74/68/11/583746811.db2.gz RCURUFHFSCTOCO-GMTAPVOTSA-N 1 2 248.330 0.916 20 0 BCADLO Cc1ccnn1CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976079 588926195 /nfs/dbraw/zinc/92/61/95/588926195.db2.gz WVTBACMFMZGGDP-SNVBAGLBSA-N 1 2 245.286 0.649 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cnsn1 ZINC000857985716 588926208 /nfs/dbraw/zinc/92/62/08/588926208.db2.gz MBOOHVUOVREXFF-LURJTMIESA-N 1 2 235.272 0.609 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000335813127 583749257 /nfs/dbraw/zinc/74/92/57/583749257.db2.gz DTRUSIIZEFTCAS-PSASIEDQSA-N 1 2 223.276 0.604 20 0 BCADLO Cc1ccnn1CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976078 588926363 /nfs/dbraw/zinc/92/63/63/588926363.db2.gz WVTBACMFMZGGDP-JTQLQIEISA-N 1 2 245.286 0.649 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H](O)C1CC1 ZINC000857978022 588926646 /nfs/dbraw/zinc/92/66/46/588926646.db2.gz AUTAGMWARZZONE-PSASIEDQSA-N 1 2 221.260 0.215 20 0 BCADLO COCC1C[NH+](Cc2snnc2C)C1 ZINC000895969497 583755129 /nfs/dbraw/zinc/75/51/29/583755129.db2.gz DNTICMMXJUUYMK-UHFFFAOYSA-N 1 2 213.306 0.925 20 0 BCADLO COCc1cc(C[NH+]2CC(COC)C2)no1 ZINC000895969672 583755140 /nfs/dbraw/zinc/75/51/40/583755140.db2.gz JJMBANWYDBHCDL-UHFFFAOYSA-N 1 2 226.276 0.899 20 0 BCADLO COCC1C[NH+](Cc2ncnn2C(C)C)C1 ZINC000895975308 583757153 /nfs/dbraw/zinc/75/71/53/583757153.db2.gz VLWAGRGLMQQMBX-UHFFFAOYSA-N 1 2 224.308 0.937 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2cncs2)CS1(=O)=O ZINC000895979203 583757694 /nfs/dbraw/zinc/75/76/94/583757694.db2.gz ZQSDMACOEXCKMZ-QMMMGPOBSA-N 1 2 246.357 0.808 20 0 BCADLO CC1(C)[C@@H]([NH2+]Cc2nccs2)CS1(=O)=O ZINC000895978329 583757715 /nfs/dbraw/zinc/75/77/15/583757715.db2.gz OBRLEUNZTLRZJZ-ZETCQYMHSA-N 1 2 246.357 0.808 20 0 BCADLO C[C@@](O)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857979178 588927165 /nfs/dbraw/zinc/92/71/65/588927165.db2.gz NVZVDDAMCZQFCB-CABZTGNLSA-N 1 2 235.287 0.605 20 0 BCADLO CC(C)(O)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980033 588927455 /nfs/dbraw/zinc/92/74/55/588927455.db2.gz IHPOJNQLBASGFK-VIFPVBQESA-N 1 2 237.303 0.995 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(F)F ZINC000857981804 588927834 /nfs/dbraw/zinc/92/78/34/588927834.db2.gz JGCOZTUOIXZRHN-RXMQYKEDSA-N 1 2 201.176 0.709 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NCC(C)(C)F)c1 ZINC000896079048 583769475 /nfs/dbraw/zinc/76/94/75/583769475.db2.gz VKIFSXNHISDFDZ-UHFFFAOYSA-N 1 2 228.271 0.967 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985271 588928439 /nfs/dbraw/zinc/92/84/39/588928439.db2.gz OGNNIBGVCYZMMR-JGVFFNPUSA-N 1 2 209.249 0.479 20 0 BCADLO COCCS(=O)(=O)CCCn1cc[nH+]c1 ZINC000727828708 583781714 /nfs/dbraw/zinc/78/17/14/583781714.db2.gz IBMJDJLGEZQIKV-UHFFFAOYSA-N 1 2 232.305 0.334 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cnc[nH]1 ZINC000857985594 588929079 /nfs/dbraw/zinc/92/90/79/588929079.db2.gz POBFXALAQPWOSA-SSDOTTSWSA-N 1 2 217.232 0.481 20 0 BCADLO COC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987316 588929348 /nfs/dbraw/zinc/92/93/48/588929348.db2.gz UBAHBQUQBJXMIC-QMMMGPOBSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(O)CCCC1 ZINC000857987325 588929545 /nfs/dbraw/zinc/92/95/45/588929545.db2.gz UCFMYHNXCRPGMC-SECBINFHSA-N 1 2 235.287 0.749 20 0 BCADLO O=C(CCn1cccn1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991037 588929859 /nfs/dbraw/zinc/92/98/59/588929859.db2.gz YYQRCFRZGFSHEJ-SNVBAGLBSA-N 1 2 245.286 0.731 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000335916766 583793969 /nfs/dbraw/zinc/79/39/69/583793969.db2.gz YUTNDIMCAOAKGE-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000335916766 583793970 /nfs/dbraw/zinc/79/39/70/583793970.db2.gz YUTNDIMCAOAKGE-NWDGAFQWSA-N 1 2 238.331 0.932 20 0 BCADLO CC(=O)NCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995056 588929882 /nfs/dbraw/zinc/92/98/82/588929882.db2.gz XTQAERZAPXIRIX-UHFFFAOYSA-N 1 2 248.286 0.285 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)CC(N)=O)CCN2 ZINC000857998803 588930265 /nfs/dbraw/zinc/93/02/65/588930265.db2.gz YUGUBAHTNOVWCZ-UHFFFAOYSA-N 1 2 234.259 0.024 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](O)C1CC1)CCN2 ZINC000858000530 588930312 /nfs/dbraw/zinc/93/03/12/588930312.db2.gz IHWPEEFDYGVISK-NSHDSACASA-N 1 2 247.298 0.919 20 0 BCADLO OCc1cc[nH+]c(NCCO[C@H]2CCOC2)c1 ZINC000896475012 583805142 /nfs/dbraw/zinc/80/51/42/583805142.db2.gz ZBMZHOFRRZBRTK-NSHDSACASA-N 1 2 238.287 0.791 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2n[nH]c(C)n2)c[nH+]1 ZINC000896531066 583808227 /nfs/dbraw/zinc/80/82/27/583808227.db2.gz XBAYEBVQCHXBEZ-UHFFFAOYSA-N 1 2 248.290 0.992 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2nnc(C)[nH]2)c[nH+]1 ZINC000896531066 583808228 /nfs/dbraw/zinc/80/82/28/583808228.db2.gz XBAYEBVQCHXBEZ-UHFFFAOYSA-N 1 2 248.290 0.992 20 0 BCADLO C[C@@H]1CCN(C(=O)CO)C[C@H]1n1cc[nH+]c1 ZINC000896515345 583808265 /nfs/dbraw/zinc/80/82/65/583808265.db2.gz ARWUTXFGSKTUCA-NXEZZACHSA-N 1 2 223.276 0.285 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546771 583809531 /nfs/dbraw/zinc/80/95/31/583809531.db2.gz WYKMYBFBFBODJE-KXNHARMFSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896546771 583809532 /nfs/dbraw/zinc/80/95/32/583809532.db2.gz WYKMYBFBFBODJE-KXNHARMFSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)C1CCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582656 583814367 /nfs/dbraw/zinc/81/43/67/583814367.db2.gz XJKJSRHPHCFTIF-ZYHUDNBSSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@@H](NC(=O)C1CCC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896582656 583814369 /nfs/dbraw/zinc/81/43/69/583814369.db2.gz XJKJSRHPHCFTIF-ZYHUDNBSSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1CCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896582653 583814886 /nfs/dbraw/zinc/81/48/86/583814886.db2.gz XJKJSRHPHCFTIF-CMPLNLGQSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1CCC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896582653 583814887 /nfs/dbraw/zinc/81/48/87/583814887.db2.gz XJKJSRHPHCFTIF-CMPLNLGQSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896581546 583814914 /nfs/dbraw/zinc/81/49/14/583814914.db2.gz QENCJBMPZWUPIW-ONGXEEELSA-N 1 2 225.336 0.147 20 0 BCADLO C[C@H](NC(=O)C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896581546 583814916 /nfs/dbraw/zinc/81/49/16/583814916.db2.gz QENCJBMPZWUPIW-ONGXEEELSA-N 1 2 225.336 0.147 20 0 BCADLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccon1 ZINC000896726172 583826842 /nfs/dbraw/zinc/82/68/42/583826842.db2.gz KBERERBYTITEGZ-UHFFFAOYSA-N 1 2 247.320 0.092 20 0 BCADLO Cc1c(CC(=O)OCCn2cc[nH+]c2)cnn1C ZINC000795872559 583838610 /nfs/dbraw/zinc/83/86/10/583838610.db2.gz UKZNPNRTNVISPV-UHFFFAOYSA-N 1 2 248.286 0.711 20 0 BCADLO C[C@H]1[C@@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000868897293 583853881 /nfs/dbraw/zinc/85/38/81/583853881.db2.gz OSNIDEAFRCDMGG-TURQNECASA-N 1 2 237.303 0.946 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)[C@H]1C ZINC000868897294 583853975 /nfs/dbraw/zinc/85/39/75/583853975.db2.gz OSNIDEAFRCDMGG-UYAYMFIHSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCNC(=O)C2)n1 ZINC000796456492 583854941 /nfs/dbraw/zinc/85/49/41/583854941.db2.gz OMJLOPYKGOOXAP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nccc(C[N@H+]2CCCNC(=O)C2)n1 ZINC000796456492 583854943 /nfs/dbraw/zinc/85/49/43/583854943.db2.gz OMJLOPYKGOOXAP-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO CONC(=O)C[NH2+]C1CC2(C1)CCCC2 ZINC000896924574 583857490 /nfs/dbraw/zinc/85/74/90/583857490.db2.gz NJGCVKXAWONANY-UHFFFAOYSA-N 1 2 212.293 0.976 20 0 BCADLO CONC(=O)C[NH2+]C1CCC(OC)CC1 ZINC000896925847 583857976 /nfs/dbraw/zinc/85/79/76/583857976.db2.gz BSMLTFKAIQRQKQ-UHFFFAOYSA-N 1 2 216.281 0.211 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000896925794 583858015 /nfs/dbraw/zinc/85/80/15/583858015.db2.gz ADCDLCQWHQJDMW-BQBZGAKWSA-N 1 2 204.295 0.148 20 0 BCADLO COCCCC1(C[NH2+]CC(=O)NOC)CCC1 ZINC000896923497 583858544 /nfs/dbraw/zinc/85/85/44/583858544.db2.gz FCEGQDBBKFXSMC-UHFFFAOYSA-N 1 2 244.335 0.851 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000896928252 583859618 /nfs/dbraw/zinc/85/96/18/583859618.db2.gz YJWNLNNWAHUGHB-RKDXNWHRSA-N 1 2 232.349 0.784 20 0 BCADLO CONC(=O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000896926386 583860065 /nfs/dbraw/zinc/86/00/65/583860065.db2.gz JDIWVKHGSCQLBU-SECBINFHSA-N 1 2 218.322 0.539 20 0 BCADLO CCN(CCC(=O)NC)c1cc(CO)cc[nH+]1 ZINC000896976567 583865356 /nfs/dbraw/zinc/86/53/56/583865356.db2.gz BZVBIXQKCHNDEA-UHFFFAOYSA-N 1 2 237.303 0.536 20 0 BCADLO CCc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000896970178 583866318 /nfs/dbraw/zinc/86/63/18/583866318.db2.gz QJGUTZLAFSHLIZ-BBBLOLIVSA-N 1 2 237.303 0.725 20 0 BCADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000896992817 583867286 /nfs/dbraw/zinc/86/72/86/583867286.db2.gz KAIWJYOIWFIFMG-JTQLQIEISA-N 1 2 249.318 0.192 20 0 BCADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000896992817 583867289 /nfs/dbraw/zinc/86/72/89/583867289.db2.gz KAIWJYOIWFIFMG-JTQLQIEISA-N 1 2 249.318 0.192 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@@H]2C[C@@H]2C1 ZINC000869393974 583869148 /nfs/dbraw/zinc/86/91/48/583869148.db2.gz QAYIGXDWHNCTCW-ZRGSSGQVSA-N 1 2 236.315 0.353 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC(O)C2)c[nH+]1 ZINC000897081752 583877829 /nfs/dbraw/zinc/87/78/29/583877829.db2.gz HGBYSPRCZWBXGK-UHFFFAOYSA-N 1 2 223.276 0.130 20 0 BCADLO CNC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000728476673 583882147 /nfs/dbraw/zinc/88/21/47/583882147.db2.gz UXOJZTWWUNJHHY-UHFFFAOYSA-N 1 2 233.227 0.237 20 0 BCADLO CCc1nc(N2CC[C@H]2CO)cc(C)[nH+]1 ZINC000897119421 583882527 /nfs/dbraw/zinc/88/25/27/583882527.db2.gz ZBTNSDAZEDKJMG-VIFPVBQESA-N 1 2 207.277 0.918 20 0 BCADLO CO[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000728544292 583896604 /nfs/dbraw/zinc/89/66/04/583896604.db2.gz BLXSGTDTPPKNGG-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO Cn1cc(/C=C/C(=O)NCc2[nH+]ccn2C)cn1 ZINC000728544281 583896802 /nfs/dbraw/zinc/89/68/02/583896802.db2.gz BHFBMBMXZPHWBU-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO CON(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000858260192 588940986 /nfs/dbraw/zinc/94/09/86/588940986.db2.gz DGTKFHLGISSMBU-VIFPVBQESA-N 1 2 223.276 0.774 20 0 BCADLO CC1(C)C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000751799548 583933626 /nfs/dbraw/zinc/93/36/26/583933626.db2.gz ZESXNJSEKGDFSM-JTQLQIEISA-N 1 2 227.304 0.908 20 0 BCADLO CC(C)NC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729162911 583961789 /nfs/dbraw/zinc/96/17/89/583961789.db2.gz YJEUCBKMIRAJIW-JTQLQIEISA-N 1 2 245.392 0.580 20 0 BCADLO CC(C)NC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC000729162911 583961790 /nfs/dbraw/zinc/96/17/90/583961790.db2.gz YJEUCBKMIRAJIW-JTQLQIEISA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC000729162953 583961853 /nfs/dbraw/zinc/96/18/53/583961853.db2.gz ZOJXOZFNSFTPSQ-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC000729162953 583961854 /nfs/dbraw/zinc/96/18/54/583961854.db2.gz ZOJXOZFNSFTPSQ-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO COC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729445050 584014270 /nfs/dbraw/zinc/01/42/70/584014270.db2.gz MWKABKILMAZLKT-DTWKUNHWSA-N 1 2 216.281 0.452 20 0 BCADLO C/C=C(\C)C(=O)OCC[NH+]1CCOCC1 ZINC000205390612 584016846 /nfs/dbraw/zinc/01/68/46/584016846.db2.gz REYRSRKCPRIQQL-XCVCLJGOSA-N 1 2 213.277 0.828 20 0 BCADLO COc1ccc[nH+]c1N1CCCNC(=O)C1 ZINC000858386561 588950105 /nfs/dbraw/zinc/95/01/05/588950105.db2.gz QUEOKKKPVVKHJK-UHFFFAOYSA-N 1 2 221.260 0.417 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cn1 ZINC000729850095 584026723 /nfs/dbraw/zinc/02/67/23/584026723.db2.gz UVDUQACNHFZFKS-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCCNC2=O)cn1 ZINC000729850095 584026725 /nfs/dbraw/zinc/02/67/25/584026725.db2.gz UVDUQACNHFZFKS-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920207 584029811 /nfs/dbraw/zinc/02/98/11/584029811.db2.gz LDCGOSBDGAQRIZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920207 584029812 /nfs/dbraw/zinc/02/98/12/584029812.db2.gz LDCGOSBDGAQRIZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729920207 584029813 /nfs/dbraw/zinc/02/98/13/584029813.db2.gz LDCGOSBDGAQRIZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729920207 584029814 /nfs/dbraw/zinc/02/98/14/584029814.db2.gz LDCGOSBDGAQRIZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNc1nccnc1F ZINC000858395944 588951479 /nfs/dbraw/zinc/95/14/79/588951479.db2.gz UCSQQZWCBSORHL-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNc1nccnc1F ZINC000858395944 588951481 /nfs/dbraw/zinc/95/14/81/588951481.db2.gz UCSQQZWCBSORHL-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CCC3)nn2)C[C@H]1O ZINC000897681269 584039398 /nfs/dbraw/zinc/03/93/98/584039398.db2.gz ZUYHJQFKLWUITM-JOYOIKCWSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@H]1O ZINC000897681269 584039400 /nfs/dbraw/zinc/03/94/00/584039400.db2.gz ZUYHJQFKLWUITM-JOYOIKCWSA-N 1 2 236.319 0.816 20 0 BCADLO CCSCC[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897751560 584043598 /nfs/dbraw/zinc/04/35/98/584043598.db2.gz QGOCMSZPKLIIHW-UHFFFAOYSA-N 1 2 230.333 0.924 20 0 BCADLO Cn1ccc(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897783407 584047494 /nfs/dbraw/zinc/04/74/94/584047494.db2.gz ATHDZABYSIUYID-UHFFFAOYSA-N 1 2 233.315 0.832 20 0 BCADLO O=C1CCCN1C1C[NH+](Cc2cccnc2)C1 ZINC000897790608 584048579 /nfs/dbraw/zinc/04/85/79/584048579.db2.gz SRPDANYLQMCOSV-UHFFFAOYSA-N 1 2 231.299 0.888 20 0 BCADLO c1cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]n1 ZINC000897823031 584051759 /nfs/dbraw/zinc/05/17/59/584051759.db2.gz QVTNNCVDTJAVFE-XXFSISAASA-N 1 2 205.261 0.675 20 0 BCADLO C[C@@]1([NH2+]Cc2cc3n(n2)CCC3)CCNC1=O ZINC000897867798 584055579 /nfs/dbraw/zinc/05/55/79/584055579.db2.gz BGRZUMXSPZJYNP-GFCCVEGCSA-N 1 2 234.303 0.198 20 0 BCADLO O=C1NC(=O)C2(C[NH+](Cc3ccsc3)C2)N1 ZINC000897908150 584059857 /nfs/dbraw/zinc/05/98/57/584059857.db2.gz RDCWNCHEUFNRGY-UHFFFAOYSA-N 1 2 237.284 0.142 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1[nH]ncc1C ZINC000898025687 584076983 /nfs/dbraw/zinc/07/69/83/584076983.db2.gz MAFLXIKVFRSIFO-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1n[nH]cc1C ZINC000898025687 584076984 /nfs/dbraw/zinc/07/69/84/584076984.db2.gz MAFLXIKVFRSIFO-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO Cn1cnc(C[NH2+]Cc2c3c(nn2C)CCC3)c1 ZINC000898042781 584080892 /nfs/dbraw/zinc/08/08/92/584080892.db2.gz WYACSWFBMBCTSB-UHFFFAOYSA-N 1 2 245.330 0.932 20 0 BCADLO COc1ccc[nH+]c1N1CCN2C(=O)OC[C@H]2C1 ZINC000858446877 588956019 /nfs/dbraw/zinc/95/60/19/588956019.db2.gz NLVYTEXOUNPNIS-SECBINFHSA-N 1 2 249.270 0.731 20 0 BCADLO CCn1c[nH+]cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898186445 584092936 /nfs/dbraw/zinc/09/29/36/584092936.db2.gz ALGCRHBGIUNEOP-WDEREUQCSA-N 1 2 227.283 0.808 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1C ZINC000898182435 584093082 /nfs/dbraw/zinc/09/30/82/584093082.db2.gz CTUSHAVKWHLGIF-KOLCDFICSA-N 1 2 227.283 0.931 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1C ZINC000898182435 584093084 /nfs/dbraw/zinc/09/30/84/584093084.db2.gz CTUSHAVKWHLGIF-KOLCDFICSA-N 1 2 227.283 0.931 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186116 584093100 /nfs/dbraw/zinc/09/31/00/584093100.db2.gz BDWWKPZUJFUNQF-QWRGUYRKSA-N 1 2 227.283 0.808 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186116 584093102 /nfs/dbraw/zinc/09/31/02/584093102.db2.gz BDWWKPZUJFUNQF-QWRGUYRKSA-N 1 2 227.283 0.808 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898194446 584096300 /nfs/dbraw/zinc/09/63/00/584096300.db2.gz ZGMKJUUQUGIKNV-GHMZBOCLSA-N 1 2 229.251 0.677 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898194446 584096301 /nfs/dbraw/zinc/09/63/01/584096301.db2.gz ZGMKJUUQUGIKNV-GHMZBOCLSA-N 1 2 229.251 0.677 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898194484 584096350 /nfs/dbraw/zinc/09/63/50/584096350.db2.gz ZWDUVUBJOKUZOZ-VHSXEESVSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898194484 584096351 /nfs/dbraw/zinc/09/63/51/584096351.db2.gz ZWDUVUBJOKUZOZ-VHSXEESVSA-N 1 2 213.256 0.623 20 0 BCADLO Cc1cc(NC[C@H](O)[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000866109585 584115418 /nfs/dbraw/zinc/11/54/18/584115418.db2.gz IJVUCRXFPKRZOJ-WPRPVWTQSA-N 1 2 237.303 0.816 20 0 BCADLO CCN(CC(=O)NC)Cc1[nH+]ccn1CC ZINC000730081329 584122595 /nfs/dbraw/zinc/12/25/95/584122595.db2.gz PGDDFQZRCSDZDW-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO O=C1OCC[C@H]1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562743 584127860 /nfs/dbraw/zinc/12/78/60/584127860.db2.gz DHXPTWWFOBKHBA-BDAKNGLRSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@H]1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562743 584127861 /nfs/dbraw/zinc/12/78/61/584127861.db2.gz DHXPTWWFOBKHBA-BDAKNGLRSA-N 1 2 249.257 0.906 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCOC1 ZINC000898491339 584139973 /nfs/dbraw/zinc/13/99/73/584139973.db2.gz LYAMBPQWLSBMEW-GHMZBOCLSA-N 1 2 244.310 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CCOC1 ZINC000898491339 584139974 /nfs/dbraw/zinc/13/99/74/584139974.db2.gz LYAMBPQWLSBMEW-GHMZBOCLSA-N 1 2 244.310 0.573 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000898579381 584142438 /nfs/dbraw/zinc/14/24/38/584142438.db2.gz QQPHPNWLAWLLDP-WCBMZHEXSA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000898579381 584142439 /nfs/dbraw/zinc/14/24/39/584142439.db2.gz QQPHPNWLAWLLDP-WCBMZHEXSA-N 1 2 223.276 0.793 20 0 BCADLO CC[C@@H](O)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629225 584146887 /nfs/dbraw/zinc/14/68/87/584146887.db2.gz ZKYOVJYVEVRRLV-SNVBAGLBSA-N 1 2 240.307 0.380 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619990 584147873 /nfs/dbraw/zinc/14/78/73/584147873.db2.gz FCUISMKPQGKLRB-WPRPVWTQSA-N 1 2 238.291 0.085 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC(C)(C)C2)c1 ZINC000898622968 584147927 /nfs/dbraw/zinc/14/79/27/584147927.db2.gz XXMHIHFSDFQPHW-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCCO2)c1 ZINC000898619178 584147934 /nfs/dbraw/zinc/14/79/34/584147934.db2.gz CYRJPLLNCVZCII-UHFFFAOYSA-N 1 2 210.237 0.267 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000898744918 584155782 /nfs/dbraw/zinc/15/57/82/584155782.db2.gz IUCKWACGMHTLQB-SSDOTTSWSA-N 1 2 246.274 0.580 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000898744918 584155783 /nfs/dbraw/zinc/15/57/83/584155783.db2.gz IUCKWACGMHTLQB-SSDOTTSWSA-N 1 2 246.274 0.580 20 0 BCADLO CC[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000898724714 584156180 /nfs/dbraw/zinc/15/61/80/584156180.db2.gz IWKDBRFKPWDJLT-SNVBAGLBSA-N 1 2 239.319 0.814 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000898790347 584160242 /nfs/dbraw/zinc/16/02/42/584160242.db2.gz DJAWIYNCXNFLLY-KOLCDFICSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000898790347 584160243 /nfs/dbraw/zinc/16/02/43/584160243.db2.gz DJAWIYNCXNFLLY-KOLCDFICSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)o1 ZINC000898877633 584161494 /nfs/dbraw/zinc/16/14/94/584161494.db2.gz BWJLPJMTGBIIRF-VIFPVBQESA-N 1 2 249.270 0.785 20 0 BCADLO CC(C)[C@@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884943 584163877 /nfs/dbraw/zinc/16/38/77/584163877.db2.gz VROXRAIVIUJXQC-NXEZZACHSA-N 1 2 239.319 0.862 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CC=CC1 ZINC000898884984 584163904 /nfs/dbraw/zinc/16/39/04/584163904.db2.gz WDEHYRZRYJWJIM-SNVBAGLBSA-N 1 2 235.287 0.536 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882970 584164061 /nfs/dbraw/zinc/16/40/61/584164061.db2.gz FELFTBFQSJNIPR-DTWKUNHWSA-N 1 2 225.292 0.616 20 0 BCADLO CS[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884736 584164271 /nfs/dbraw/zinc/16/42/71/584164271.db2.gz STSGKXUYURHJQL-HTQZYQBOSA-N 1 2 243.332 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CC[C@@H](O)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900719841 584344362 /nfs/dbraw/zinc/34/43/62/584344362.db2.gz YHIPGZBOZJIAJU-GXSJLCMTSA-N 1 2 237.303 0.673 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000900754527 584345473 /nfs/dbraw/zinc/34/54/73/584345473.db2.gz KMMIJLSDQONUCT-GSQGTZRGSA-N 1 2 249.314 0.937 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NCC[C@@H](C)O ZINC000900759057 584345986 /nfs/dbraw/zinc/34/59/86/584345986.db2.gz XUNYYUVKOXOLPN-SECBINFHSA-N 1 2 237.303 0.932 20 0 BCADLO CN(Cc1nc[nH]n1)C(=O)CNc1cccc[nH+]1 ZINC000900781105 584350457 /nfs/dbraw/zinc/35/04/57/584350457.db2.gz GUROZIPGWQQTTJ-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO CN(Cc1nnc[nH]1)C(=O)CNc1cccc[nH+]1 ZINC000900781105 584350460 /nfs/dbraw/zinc/35/04/60/584350460.db2.gz GUROZIPGWQQTTJ-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO CCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900855318 584357856 /nfs/dbraw/zinc/35/78/56/584357856.db2.gz GAHSSCXSCFHCRF-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900857886 584357922 /nfs/dbraw/zinc/35/79/22/584357922.db2.gz ZIEPAGRHRXZVEL-BXKDBHETSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900857886 584357924 /nfs/dbraw/zinc/35/79/24/584357924.db2.gz ZIEPAGRHRXZVEL-BXKDBHETSA-N 1 2 239.319 0.866 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000900867005 584362859 /nfs/dbraw/zinc/36/28/59/584362859.db2.gz JYORSLJPJFYIRW-MNOVXSKESA-N 1 2 249.314 0.771 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900973817 584369566 /nfs/dbraw/zinc/36/95/66/584369566.db2.gz UELNIASICUVGNC-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900973817 584369568 /nfs/dbraw/zinc/36/95/68/584369568.db2.gz UELNIASICUVGNC-QMMMGPOBSA-N 1 2 239.275 0.268 20 0 BCADLO CN(C[C@H](O)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901004961 584373733 /nfs/dbraw/zinc/37/37/33/584373733.db2.gz SEXYGFBFSQXYJG-JTQLQIEISA-N 1 2 223.276 0.182 20 0 BCADLO C[C@H](CCCO)NC(=O)CNc1cccc[nH+]1 ZINC000901016066 584374215 /nfs/dbraw/zinc/37/42/15/584374215.db2.gz HEOAUGOGPACTTQ-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO Cc1[nH]c(CNC(=O)C2(O)CCC2)[nH+]c1C ZINC000900997939 584375214 /nfs/dbraw/zinc/37/52/14/584375214.db2.gz PRKLGTINFFPTJR-UHFFFAOYSA-N 1 2 223.276 0.558 20 0 BCADLO CCC(CC)[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901071518 584377875 /nfs/dbraw/zinc/37/78/75/584377875.db2.gz HFYVJLJIAAVDRL-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO CCC(CC)[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901071518 584377876 /nfs/dbraw/zinc/37/78/76/584377876.db2.gz HFYVJLJIAAVDRL-NSHDSACASA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901047838 584378790 /nfs/dbraw/zinc/37/87/90/584378790.db2.gz HWXKKMIYVADJOP-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901047838 584378792 /nfs/dbraw/zinc/37/87/92/584378792.db2.gz HWXKKMIYVADJOP-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901079650 584381895 /nfs/dbraw/zinc/38/18/95/584381895.db2.gz YVBYLSDEMATAMW-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901079650 584381896 /nfs/dbraw/zinc/38/18/96/584381896.db2.gz YVBYLSDEMATAMW-JTQLQIEISA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000901079509 584382141 /nfs/dbraw/zinc/38/21/41/584382141.db2.gz XJKICMZHPPDSJR-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000901079509 584382143 /nfs/dbraw/zinc/38/21/43/584382143.db2.gz XJKICMZHPPDSJR-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C=C[C@H](CO)C1 ZINC000901093570 584384360 /nfs/dbraw/zinc/38/43/60/584384360.db2.gz JOZBKCLNSXFVOY-WDEREUQCSA-N 1 2 247.298 0.547 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1C[C@@H](O)C1 ZINC000901129800 584387898 /nfs/dbraw/zinc/38/78/98/584387898.db2.gz GDUYCOPGKRAWHX-DTORHVGOSA-N 1 2 221.260 0.133 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCc2c[nH]nc21 ZINC000901105015 584388638 /nfs/dbraw/zinc/38/86/38/584388638.db2.gz AVIJJAZJDPXGJN-JTQLQIEISA-N 1 2 245.286 0.869 20 0 BCADLO C[C@@H]1COCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901200756 584398973 /nfs/dbraw/zinc/39/89/73/584398973.db2.gz JCTKRVIEVBRIJJ-VIFPVBQESA-N 1 2 223.276 0.447 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC(C)(C)CO ZINC000901218198 584402403 /nfs/dbraw/zinc/40/24/03/584402403.db2.gz OPSZORMLOCOKHD-UHFFFAOYSA-N 1 2 237.303 0.932 20 0 BCADLO C[C@H](CO)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901230751 584403717 /nfs/dbraw/zinc/40/37/17/584403717.db2.gz QZLIEIDJEHFJBS-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO C[C@H](CO)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901230751 584403718 /nfs/dbraw/zinc/40/37/18/584403718.db2.gz QZLIEIDJEHFJBS-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901277057 584413366 /nfs/dbraw/zinc/41/33/66/584413366.db2.gz UVXOGGMREGTZTH-LLVKDONJSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901338583 584426878 /nfs/dbraw/zinc/42/68/78/584426878.db2.gz XAGLRSXSMIEZGS-ONGXEEELSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OCCF ZINC000858902864 588983539 /nfs/dbraw/zinc/98/35/39/588983539.db2.gz GLCZRSTYODNGFC-QMMMGPOBSA-N 1 2 215.228 0.967 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OCCF ZINC000858902862 588983827 /nfs/dbraw/zinc/98/38/27/588983827.db2.gz GLCZRSTYODNGFC-MRVPVSSYSA-N 1 2 215.228 0.967 20 0 BCADLO CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)C(=O)OC ZINC000901594535 584465647 /nfs/dbraw/zinc/46/56/47/584465647.db2.gz CJKVTDFQGLCRQM-IUCAKERBSA-N 1 2 228.292 0.054 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@](C)(CCF)C(=O)[O-] ZINC000901915783 584503720 /nfs/dbraw/zinc/50/37/20/584503720.db2.gz PMUHGXPUHJEFII-SNVBAGLBSA-N 1 2 229.255 0.713 20 0 BCADLO CCn1cnc(C[NH2+]CC(=O)N(C)C)c1 ZINC000902036476 584515048 /nfs/dbraw/zinc/51/50/48/584515048.db2.gz USKIUJAYRAOKSK-UHFFFAOYSA-N 1 2 210.281 0.081 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(CC)cn1 ZINC000902038218 584515181 /nfs/dbraw/zinc/51/51/81/584515181.db2.gz OXYGJGQOVCPLJH-VIFPVBQESA-N 1 2 224.308 0.517 20 0 BCADLO O=C1[C@@H]2C[C@@H]2CN1C[NH+]1CCSCC1 ZINC000902054663 584518245 /nfs/dbraw/zinc/51/82/45/584518245.db2.gz AFPNEFGJEJGYEO-RKDXNWHRSA-N 1 2 212.318 0.471 20 0 BCADLO CC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H](C)O1 ZINC000902126627 584529005 /nfs/dbraw/zinc/52/90/05/584529005.db2.gz IKOURAWSPIQLJI-RHYQMDGZSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H](C)O1 ZINC000902126627 584529006 /nfs/dbraw/zinc/52/90/06/584529006.db2.gz IKOURAWSPIQLJI-RHYQMDGZSA-N 1 2 238.331 0.922 20 0 BCADLO CC(C)[C@@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902180349 584532742 /nfs/dbraw/zinc/53/27/42/584532742.db2.gz QOSYQJLCZHZBLH-JTQLQIEISA-N 1 2 248.286 0.740 20 0 BCADLO C[C@@H]1[N@H+](CN2CCOC2=O)CCOC1(C)C ZINC000902186489 584533666 /nfs/dbraw/zinc/53/36/66/584533666.db2.gz UXJMOXJMUBZNRM-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[C@@H]1[N@@H+](CN2CCOC2=O)CCOC1(C)C ZINC000902186489 584533667 /nfs/dbraw/zinc/53/36/67/584533667.db2.gz UXJMOXJMUBZNRM-VIFPVBQESA-N 1 2 228.292 0.895 20 0 BCADLO C[C@H]1OCC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H]1C ZINC000902186602 584533938 /nfs/dbraw/zinc/53/39/38/584533938.db2.gz UMAPJBGEAVBPOC-ZNSHCXBVSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@H]1OCC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H]1C ZINC000902186602 584533940 /nfs/dbraw/zinc/53/39/40/584533940.db2.gz UMAPJBGEAVBPOC-ZNSHCXBVSA-N 1 2 224.304 0.531 20 0 BCADLO Cn1c[nH+]cc1CNc1cccn(C)c1=O ZINC000902210643 584538740 /nfs/dbraw/zinc/53/87/40/584538740.db2.gz OLBMFNNWDCKTAW-UHFFFAOYSA-N 1 2 218.260 0.731 20 0 BCADLO CCn1c[nH+]c(CNCc2cc[nH]n2)c1 ZINC000902217458 584539759 /nfs/dbraw/zinc/53/97/59/584539759.db2.gz HEIMHJXNVDMOBY-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO CCOCCOCC[N@H+](C)CN1CCOC1=O ZINC000902234351 584542554 /nfs/dbraw/zinc/54/25/54/584542554.db2.gz WDTYZVVJXVPQTO-UHFFFAOYSA-N 1 2 246.307 0.381 20 0 BCADLO CCOCCOCC[N@@H+](C)CN1CCOC1=O ZINC000902234351 584542555 /nfs/dbraw/zinc/54/25/55/584542555.db2.gz WDTYZVVJXVPQTO-UHFFFAOYSA-N 1 2 246.307 0.381 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902238308 584542875 /nfs/dbraw/zinc/54/28/75/584542875.db2.gz MFEOYZHNXHUJMA-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902238308 584542878 /nfs/dbraw/zinc/54/28/78/584542878.db2.gz MFEOYZHNXHUJMA-DCAQKATOSA-N 1 2 238.331 0.922 20 0 BCADLO CC[C@@]1(C)C[N@H+](CN2CCOC2=O)CCO1 ZINC000902235839 584543045 /nfs/dbraw/zinc/54/30/45/584543045.db2.gz SJCNBUUXJMMZAO-NSHDSACASA-N 1 2 228.292 0.897 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902235839 584543046 /nfs/dbraw/zinc/54/30/46/584543046.db2.gz SJCNBUUXJMMZAO-NSHDSACASA-N 1 2 228.292 0.897 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902279085 584546931 /nfs/dbraw/zinc/54/69/31/584546931.db2.gz KLPRSISKFSTNTF-AEJSXWLSSA-N 1 2 210.277 0.143 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902279085 584546932 /nfs/dbraw/zinc/54/69/32/584546932.db2.gz KLPRSISKFSTNTF-AEJSXWLSSA-N 1 2 210.277 0.143 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902280325 584547321 /nfs/dbraw/zinc/54/73/21/584547321.db2.gz CXTYOBHYQQJFEP-QMMMGPOBSA-N 1 2 234.259 0.494 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1C[C@@]12CCOC2 ZINC000902280979 584547407 /nfs/dbraw/zinc/54/74/07/584547407.db2.gz IMQOPGNYZDGBCP-WCABBAIRSA-N 1 2 228.292 0.946 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1C[C@]12CCOC2 ZINC000902280976 584547431 /nfs/dbraw/zinc/54/74/31/584547431.db2.gz IMQOPGNYZDGBCP-KKZNHRDASA-N 1 2 228.292 0.946 20 0 BCADLO COCC[C@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000902277239 584550716 /nfs/dbraw/zinc/55/07/16/584550716.db2.gz JGWPUGXNNCYICY-GHMZBOCLSA-N 1 2 244.310 0.873 20 0 BCADLO COCC[C@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000902277239 584550719 /nfs/dbraw/zinc/55/07/19/584550719.db2.gz JGWPUGXNNCYICY-GHMZBOCLSA-N 1 2 244.310 0.873 20 0 BCADLO Nc1ccc(Cn2ncc3c2C[C@@H](O)CC3)c[nH+]1 ZINC000902328837 584561971 /nfs/dbraw/zinc/56/19/71/584561971.db2.gz GQYYDYXLFNLCMS-NSHDSACASA-N 1 2 244.298 0.758 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000902336245 584565085 /nfs/dbraw/zinc/56/50/85/584565085.db2.gz WYFFKEWBIRSDPY-VHSXEESVSA-N 1 2 226.276 0.649 20 0 BCADLO O=C1OCCN1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000902336245 584565086 /nfs/dbraw/zinc/56/50/86/584565086.db2.gz WYFFKEWBIRSDPY-VHSXEESVSA-N 1 2 226.276 0.649 20 0 BCADLO COc1ccc(=O)n(CCCc2c[nH+]cn2C)n1 ZINC000902350313 584569243 /nfs/dbraw/zinc/56/92/43/584569243.db2.gz JAFIVFXEOQVYGJ-UHFFFAOYSA-N 1 2 248.286 0.618 20 0 BCADLO CCCOC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859079445 588998524 /nfs/dbraw/zinc/99/85/24/588998524.db2.gz NTKBOWLMALASLO-NSHDSACASA-N 1 2 242.319 0.940 20 0 BCADLO COc1cccc(CO[NH+]=C(N)CO)c1C ZINC000902538156 584628178 /nfs/dbraw/zinc/62/81/78/584628178.db2.gz VISRRVDXYLGXGK-UHFFFAOYSA-N 1 2 224.260 0.994 20 0 BCADLO Cc1nsc(C)c1CO[NH+]=C(N)CO ZINC000902534609 584633693 /nfs/dbraw/zinc/63/36/93/584633693.db2.gz DDEYSHDIKIFTEJ-UHFFFAOYSA-N 1 2 215.278 0.751 20 0 BCADLO CN(C)C(=O)NOCc1ccc[nH+]c1N ZINC000902602185 584641504 /nfs/dbraw/zinc/64/15/04/584641504.db2.gz LSEAYTUCDYNTIY-UHFFFAOYSA-N 1 2 210.237 0.367 20 0 BCADLO C[C@H]1OC(=O)N(CCCc2c[nH+]cn2C)C1=O ZINC000902612102 584643404 /nfs/dbraw/zinc/64/34/04/584643404.db2.gz JITNNDURNJSPCH-MRVPVSSYSA-N 1 2 237.259 0.720 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CC[C@H]1CO ZINC000902630382 584646374 /nfs/dbraw/zinc/64/63/74/584646374.db2.gz ALBGUMIXVWUCGA-MNOVXSKESA-N 1 2 224.304 0.269 20 0 BCADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CC[C@H]1CO ZINC000902630382 584646375 /nfs/dbraw/zinc/64/63/75/584646375.db2.gz ALBGUMIXVWUCGA-MNOVXSKESA-N 1 2 224.304 0.269 20 0 BCADLO CCc1noc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000902627341 584646627 /nfs/dbraw/zinc/64/66/27/584646627.db2.gz DLESCGWLMGVVFU-UHFFFAOYSA-N 1 2 235.247 0.296 20 0 BCADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CC[C@@H]1CO ZINC000902630923 584646857 /nfs/dbraw/zinc/64/68/57/584646857.db2.gz SMHOAKJESMAAQS-CHWSQXEVSA-N 1 2 246.310 0.984 20 0 BCADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CC[C@@H]1CO ZINC000902630923 584646858 /nfs/dbraw/zinc/64/68/58/584646858.db2.gz SMHOAKJESMAAQS-CHWSQXEVSA-N 1 2 246.310 0.984 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1cccnc1=S ZINC000902631166 584646919 /nfs/dbraw/zinc/64/69/19/584646919.db2.gz UKRXNZVVWBTRBK-QMMMGPOBSA-N 1 2 211.290 0.637 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1cccnc1=S ZINC000902631166 584646920 /nfs/dbraw/zinc/64/69/20/584646920.db2.gz UKRXNZVVWBTRBK-QMMMGPOBSA-N 1 2 211.290 0.637 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CC[C@@H]1CO ZINC000902630781 584646929 /nfs/dbraw/zinc/64/69/29/584646929.db2.gz DAYYFHOLVSNTBD-SECBINFHSA-N 1 2 233.271 0.062 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CC[C@@H]1CO ZINC000902630781 584646930 /nfs/dbraw/zinc/64/69/30/584646930.db2.gz DAYYFHOLVSNTBD-SECBINFHSA-N 1 2 233.271 0.062 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CC[C@H]1CO ZINC000902630784 584646982 /nfs/dbraw/zinc/64/69/82/584646982.db2.gz DAYYFHOLVSNTBD-VIFPVBQESA-N 1 2 233.271 0.062 20 0 BCADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CC[C@H]1CO ZINC000902630784 584646983 /nfs/dbraw/zinc/64/69/83/584646983.db2.gz DAYYFHOLVSNTBD-VIFPVBQESA-N 1 2 233.271 0.062 20 0 BCADLO O=C1OC2(CCCC2)CN1C[N@H+]1CC[C@@H]1CO ZINC000902631826 584647272 /nfs/dbraw/zinc/64/72/72/584647272.db2.gz JLBBXHVPQCKVQZ-SNVBAGLBSA-N 1 2 240.303 0.776 20 0 BCADLO O=C1OC2(CCCC2)CN1C[N@@H+]1CC[C@@H]1CO ZINC000902631826 584647274 /nfs/dbraw/zinc/64/72/74/584647274.db2.gz JLBBXHVPQCKVQZ-SNVBAGLBSA-N 1 2 240.303 0.776 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902633376 584647937 /nfs/dbraw/zinc/64/79/37/584647937.db2.gz ULFFCEAISYWRLR-JOYOIKCWSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902633376 584647938 /nfs/dbraw/zinc/64/79/38/584647938.db2.gz ULFFCEAISYWRLR-JOYOIKCWSA-N 1 2 240.303 0.186 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1[nH]cc[nH+]1 ZINC000902666261 584653684 /nfs/dbraw/zinc/65/36/84/584653684.db2.gz NXPQBGULDURCMK-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO CCc1noc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000902697936 584654953 /nfs/dbraw/zinc/65/49/53/584654953.db2.gz DLPWJNMWUHGTLD-ZETCQYMHSA-N 1 2 249.274 0.857 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1CO[NH+]=C(N)[C@H](C)OC ZINC000902718014 584657738 /nfs/dbraw/zinc/65/77/38/584657738.db2.gz XPELVARVRKIVKD-XHNCKOQMSA-N 1 2 244.291 0.719 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCO[C@@H]1CCOC1 ZINC000902701024 584658307 /nfs/dbraw/zinc/65/83/07/584658307.db2.gz DLZYPHWNWSLHKZ-SNVBAGLBSA-N 1 2 246.307 0.715 20 0 BCADLO NC(=[NH+]OCCO[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000902738057 584662699 /nfs/dbraw/zinc/66/26/99/584662699.db2.gz GXPHAWQKKYLWLM-NXEZZACHSA-N 1 2 244.291 0.469 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCO ZINC000902785603 584666348 /nfs/dbraw/zinc/66/63/48/584666348.db2.gz UMYPZYMTNZVPII-UHFFFAOYSA-N 1 2 247.298 0.843 20 0 BCADLO COCC(COC)O[NH+]=C(N)COC1CCC1 ZINC000902775607 584669305 /nfs/dbraw/zinc/66/93/05/584669305.db2.gz ZNLNZWLIYHNLIH-UHFFFAOYSA-N 1 2 246.307 0.715 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)OC1COC1 ZINC000902778402 584669559 /nfs/dbraw/zinc/66/95/59/584669559.db2.gz RDJDLYYCOFUMDY-UHFFFAOYSA-N 1 2 225.248 0.398 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OC1COC1 ZINC000902806253 584671798 /nfs/dbraw/zinc/67/17/98/584671798.db2.gz PLVUNKFNEXYRPJ-QMMMGPOBSA-N 1 2 225.248 0.397 20 0 BCADLO CC(C)[C@]12C[C@H]1C(=O)N(Cc1c[nH+]cn1C)C2=O ZINC000902822795 584676491 /nfs/dbraw/zinc/67/64/91/584676491.db2.gz JVUIXLVQTPCEAV-GXFFZTMASA-N 1 2 247.298 0.951 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cn(C)nn1 ZINC000902840836 584680385 /nfs/dbraw/zinc/68/03/85/584680385.db2.gz IGOIWPHFXXRTHO-PSASIEDQSA-N 1 2 246.318 0.746 20 0 BCADLO C[C@H]1CCS(=O)(=O)N1Cc1c[nH+]cn1C ZINC000902846752 584681475 /nfs/dbraw/zinc/68/14/75/584681475.db2.gz OLKMTBAADLSOHS-QMMMGPOBSA-N 1 2 229.305 0.344 20 0 BCADLO Nc1ccc(CNC(=O)OC2COC2)c[nH+]1 ZINC000902928328 584698067 /nfs/dbraw/zinc/69/80/67/584698067.db2.gz ZRAWVQSORBBRDH-UHFFFAOYSA-N 1 2 223.232 0.289 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000902933870 584699819 /nfs/dbraw/zinc/69/98/19/584699819.db2.gz MYFRYXMMNPYISN-SNVBAGLBSA-N 1 2 235.287 0.651 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000902933870 584699821 /nfs/dbraw/zinc/69/98/21/584699821.db2.gz MYFRYXMMNPYISN-SNVBAGLBSA-N 1 2 235.287 0.651 20 0 BCADLO CC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C)n(C)c1 ZINC000902934485 584699864 /nfs/dbraw/zinc/69/98/64/584699864.db2.gz PBEKNUBPDBSILP-LLVKDONJSA-N 1 2 249.314 0.662 20 0 BCADLO CC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2C)n(C)c1 ZINC000902934485 584699865 /nfs/dbraw/zinc/69/98/65/584699865.db2.gz PBEKNUBPDBSILP-LLVKDONJSA-N 1 2 249.314 0.662 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)OC1COC1 ZINC000902941166 584701822 /nfs/dbraw/zinc/70/18/22/584701822.db2.gz NJDVFMVTQDUWFD-MRVPVSSYSA-N 1 2 223.232 0.453 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902991661 584709728 /nfs/dbraw/zinc/70/97/28/584709728.db2.gz YCMVDUOVJZXXEF-BDAKNGLRSA-N 1 2 216.256 0.583 20 0 BCADLO CON1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902991661 584709729 /nfs/dbraw/zinc/70/97/29/584709729.db2.gz YCMVDUOVJZXXEF-BDAKNGLRSA-N 1 2 216.256 0.583 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902991663 584710140 /nfs/dbraw/zinc/71/01/40/584710140.db2.gz YCMVDUOVJZXXEF-IUCAKERBSA-N 1 2 216.256 0.583 20 0 BCADLO CON1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902991663 584710141 /nfs/dbraw/zinc/71/01/41/584710141.db2.gz YCMVDUOVJZXXEF-IUCAKERBSA-N 1 2 216.256 0.583 20 0 BCADLO C[C@@H](C[N@@H+]1CCC[C@@H](F)C1)S(C)(=O)=O ZINC000902992308 584710886 /nfs/dbraw/zinc/71/08/86/584710886.db2.gz JOMHUWTVFHKLOJ-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](C[N@H+]1CCC[C@@H](F)C1)S(C)(=O)=O ZINC000902992308 584710887 /nfs/dbraw/zinc/71/08/87/584710887.db2.gz JOMHUWTVFHKLOJ-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO O=S1(=O)CCC[C@@H]1C[N@H+]1CCC[C@H](F)C1 ZINC000902992400 584711214 /nfs/dbraw/zinc/71/12/14/584711214.db2.gz KSZJSRIAOVFNFQ-VHSXEESVSA-N 1 2 235.324 0.998 20 0 BCADLO O=S1(=O)CCC[C@@H]1C[N@@H+]1CCC[C@H](F)C1 ZINC000902992400 584711215 /nfs/dbraw/zinc/71/12/15/584711215.db2.gz KSZJSRIAOVFNFQ-VHSXEESVSA-N 1 2 235.324 0.998 20 0 BCADLO CC(=O)NCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000902974538 584712845 /nfs/dbraw/zinc/71/28/45/584712845.db2.gz LYBBLDFKRYGTDJ-QMMMGPOBSA-N 1 2 238.278 0.461 20 0 BCADLO CC(=O)NCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000902974538 584712846 /nfs/dbraw/zinc/71/28/46/584712846.db2.gz LYBBLDFKRYGTDJ-QMMMGPOBSA-N 1 2 238.278 0.461 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903018490 584713996 /nfs/dbraw/zinc/71/39/96/584713996.db2.gz BJOUTIAEEKHDKU-JTQLQIEISA-N 1 2 220.276 0.552 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903018490 584713998 /nfs/dbraw/zinc/71/39/98/584713998.db2.gz BJOUTIAEEKHDKU-JTQLQIEISA-N 1 2 220.276 0.552 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902998247 584714698 /nfs/dbraw/zinc/71/46/98/584714698.db2.gz JCSUSAAGQPVFFL-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902998247 584714700 /nfs/dbraw/zinc/71/47/00/584714700.db2.gz JCSUSAAGQPVFFL-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902999751 584714939 /nfs/dbraw/zinc/71/49/39/584714939.db2.gz YFPHYDQBEXLFNQ-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC000902999751 584714940 /nfs/dbraw/zinc/71/49/40/584714940.db2.gz YFPHYDQBEXLFNQ-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001593 584715315 /nfs/dbraw/zinc/71/53/15/584715315.db2.gz POZXJPJDZWAELZ-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001593 584715316 /nfs/dbraw/zinc/71/53/16/584715316.db2.gz POZXJPJDZWAELZ-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](F)C1 ZINC000903001960 584715875 /nfs/dbraw/zinc/71/58/75/584715875.db2.gz SKOCIYXKNATAJZ-RQJHMYQMSA-N 1 2 217.244 0.004 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](F)C1 ZINC000903001960 584715876 /nfs/dbraw/zinc/71/58/76/584715876.db2.gz SKOCIYXKNATAJZ-RQJHMYQMSA-N 1 2 217.244 0.004 20 0 BCADLO NC(=O)c1ccc(CCN2CC=CC[NH2+]2)cc1 ZINC000903490843 584780777 /nfs/dbraw/zinc/78/07/77/584780777.db2.gz JWNPTFIUKMRTEU-UHFFFAOYSA-N 1 2 231.299 0.704 20 0 BCADLO c1nc2n(n1)[C@H](CN1CC=CC[NH2+]1)CC2 ZINC000903490707 584780812 /nfs/dbraw/zinc/78/08/12/584780812.db2.gz FDISNMGIXDLBJS-VIFPVBQESA-N 1 2 205.265 0.142 20 0 BCADLO CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903920003 584823196 /nfs/dbraw/zinc/82/31/96/584823196.db2.gz RCQUTLCCZRFZCQ-SFYZADRCSA-N 1 2 223.311 0.932 20 0 BCADLO C[C@H]([NH2+]CCCNc1cccc[nH+]1)C(=O)[O-] ZINC000904229998 584854078 /nfs/dbraw/zinc/85/40/78/584854078.db2.gz WBGGFJDSJGQOFH-VIFPVBQESA-N 1 2 223.276 0.946 20 0 BCADLO Nc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)nn1 ZINC000904347764 584868306 /nfs/dbraw/zinc/86/83/06/584868306.db2.gz JTWNRUFKPMCGOS-LBPRGKRZSA-N 1 2 248.286 0.340 20 0 BCADLO Nc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)nn1 ZINC000904347764 584868307 /nfs/dbraw/zinc/86/83/07/584868307.db2.gz JTWNRUFKPMCGOS-LBPRGKRZSA-N 1 2 248.286 0.340 20 0 BCADLO Cc1cc(NC(=O)NCCCON)c(C)c[nH+]1 ZINC000904398879 584878364 /nfs/dbraw/zinc/87/83/64/584878364.db2.gz UZFINASLDGXUPK-UHFFFAOYSA-N 1 2 238.291 0.522 20 0 BCADLO c1cn(C2CC2)c(C[NH2+][C@@H]2CNOC2)n1 ZINC000904423534 584880576 /nfs/dbraw/zinc/88/05/76/584880576.db2.gz BEXUZFRXMDQRGM-MRVPVSSYSA-N 1 2 208.265 0.211 20 0 BCADLO C[N@H+](CN1CCSC1=O)[C@@H]1CCOC1 ZINC000730260285 584897093 /nfs/dbraw/zinc/89/70/93/584897093.db2.gz NVTPJIZOIIWCRO-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO C[N@@H+](CN1CCSC1=O)[C@@H]1CCOC1 ZINC000730260285 584897094 /nfs/dbraw/zinc/89/70/94/584897094.db2.gz NVTPJIZOIIWCRO-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO CCOc1ccc(C[N@H+](CC)CC(N)=O)nc1 ZINC000682778304 584907405 /nfs/dbraw/zinc/90/74/05/584907405.db2.gz BGIRYYWCUIRHRQ-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCOc1ccc(C[N@@H+](CC)CC(N)=O)nc1 ZINC000682778304 584907406 /nfs/dbraw/zinc/90/74/06/584907406.db2.gz BGIRYYWCUIRHRQ-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831732715 584910877 /nfs/dbraw/zinc/91/08/77/584910877.db2.gz NNMPRZUUXRMSKS-UWVGGRQHSA-N 1 2 237.303 0.714 20 0 BCADLO C[C@H](O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831732716 584910908 /nfs/dbraw/zinc/91/09/08/584910908.db2.gz NNMPRZUUXRMSKS-VHSXEESVSA-N 1 2 237.303 0.714 20 0 BCADLO CCC[C@@H](O)CCNC(=O)CCn1cc[nH+]c1 ZINC000832643064 584911812 /nfs/dbraw/zinc/91/18/12/584911812.db2.gz NGHSVPRNLGJLDZ-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO CN(C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741145684 584912055 /nfs/dbraw/zinc/91/20/55/584912055.db2.gz ZOYVHBKQIPDPAG-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CN(C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741145684 584912056 /nfs/dbraw/zinc/91/20/56/584912056.db2.gz ZOYVHBKQIPDPAG-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)NC2CCC2)CCO1 ZINC000730672051 584913795 /nfs/dbraw/zinc/91/37/95/584913795.db2.gz ROXVIKBQNXNDGF-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)NC2CCC2)CCO1 ZINC000730672051 584913796 /nfs/dbraw/zinc/91/37/96/584913796.db2.gz ROXVIKBQNXNDGF-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1nccn1C ZINC000741262203 584914484 /nfs/dbraw/zinc/91/44/84/584914484.db2.gz UJBUQYUZHJWWOE-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C)C1 ZINC000214706494 584925254 /nfs/dbraw/zinc/92/52/54/584925254.db2.gz ZQGGRJZSWQHFGZ-ZUYFITGHSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C)C1 ZINC000214706494 584925255 /nfs/dbraw/zinc/92/52/55/584925255.db2.gz ZQGGRJZSWQHFGZ-ZUYFITGHSA-N 1 2 213.277 0.826 20 0 BCADLO Cc1cccn2cc(CC(=O)OCCO)[nH+]c12 ZINC000731913826 584931321 /nfs/dbraw/zinc/93/13/21/584931321.db2.gz ISUCXUPEIGEINX-UHFFFAOYSA-N 1 2 234.255 0.721 20 0 BCADLO COC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000732128186 584934001 /nfs/dbraw/zinc/93/40/01/584934001.db2.gz UHLGJBBOUHYBCS-NSHDSACASA-N 1 2 242.319 0.940 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)[C@@H]1CCN(C2CC2)C1 ZINC000732213784 584934630 /nfs/dbraw/zinc/93/46/30/584934630.db2.gz HPTIESLNDQDAEY-LLVKDONJSA-N 1 2 246.376 0.200 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)[C@@H]1CCN(C2CC2)C1 ZINC000732213784 584934631 /nfs/dbraw/zinc/93/46/31/584934631.db2.gz HPTIESLNDQDAEY-LLVKDONJSA-N 1 2 246.376 0.200 20 0 BCADLO [O-]C1=C[NH+]=C(N[NH2+]CCOCC(F)(F)F)C1 ZINC000765599979 584938164 /nfs/dbraw/zinc/93/81/64/584938164.db2.gz AFYVGEUISQILJB-UHFFFAOYSA-N 1 2 239.197 0.514 20 0 BCADLO Cc1c(C(=O)OCCc2c[nH+]cn2C)cnn1C ZINC000788045807 584938386 /nfs/dbraw/zinc/93/83/86/584938386.db2.gz FAHKXSQHVSFSMJ-UHFFFAOYSA-N 1 2 248.286 0.862 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C2(C)COC2)CCO1 ZINC000800198426 584944061 /nfs/dbraw/zinc/94/40/61/584944061.db2.gz SQDBDVGGEGMQQK-JTQLQIEISA-N 1 2 243.303 0.287 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C2(C)COC2)CCO1 ZINC000800198426 584944062 /nfs/dbraw/zinc/94/40/62/584944062.db2.gz SQDBDVGGEGMQQK-JTQLQIEISA-N 1 2 243.303 0.287 20 0 BCADLO Cc1nonc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000734146790 584957382 /nfs/dbraw/zinc/95/73/82/584957382.db2.gz OJVJGXUZNXSDPB-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO Cc1nonc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000734146790 584957383 /nfs/dbraw/zinc/95/73/83/584957383.db2.gz OJVJGXUZNXSDPB-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@@H]1CCN(C)C1=O ZINC000734834594 584969032 /nfs/dbraw/zinc/96/90/32/584969032.db2.gz YGDSJGGMPKMNLO-MRVPVSSYSA-N 1 2 229.280 0.141 20 0 BCADLO O=C(CC[NH+]1CCCCC1)NCc1cnn[nH]1 ZINC000735087934 584972743 /nfs/dbraw/zinc/97/27/43/584972743.db2.gz YAHAVAGODSLPQX-UHFFFAOYSA-N 1 2 237.307 0.297 20 0 BCADLO CC[N@H+](CCOC)CCS(=O)(=O)CC ZINC000735671234 584980739 /nfs/dbraw/zinc/98/07/39/584980739.db2.gz DULVKHSDDGVCMC-UHFFFAOYSA-N 1 2 223.338 0.389 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000736220184 584992397 /nfs/dbraw/zinc/99/23/97/584992397.db2.gz ZFLIWHVWHCILCT-GHMZBOCLSA-N 1 2 242.319 0.114 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000736220184 584992398 /nfs/dbraw/zinc/99/23/98/584992398.db2.gz ZFLIWHVWHCILCT-GHMZBOCLSA-N 1 2 242.319 0.114 20 0 BCADLO C/C=C(/C)C(=O)OCC[NH+]1CCOCC1 ZINC000205390625 585016121 /nfs/dbraw/zinc/01/61/21/585016121.db2.gz REYRSRKCPRIQQL-KMKOMSMNSA-N 1 2 213.277 0.828 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H](O)C(C)(C)C)c1 ZINC000890109063 585023771 /nfs/dbraw/zinc/02/37/71/585023771.db2.gz AFFDTYHHTADVDH-SECBINFHSA-N 1 2 225.292 0.443 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CCOC2)c1 ZINC000890110392 585023942 /nfs/dbraw/zinc/02/39/42/585023942.db2.gz ZRYRPJRXKZCDOG-LLVKDONJSA-N 1 2 223.276 0.463 20 0 BCADLO Cc1ncc(C(=O)NCc2cn(C)c[nH+]2)[nH]1 ZINC000890113488 585024031 /nfs/dbraw/zinc/02/40/31/585024031.db2.gz FZMQIBDNIWWTIH-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO COc1ccc(C(=O)NCc2cn(C)c[nH+]2)nn1 ZINC000890114145 585024062 /nfs/dbraw/zinc/02/40/62/585024062.db2.gz VPYICQIWVMSOMU-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@@H](C)CC1=O ZINC000738082492 585040881 /nfs/dbraw/zinc/04/08/81/585040881.db2.gz ALKZHQSDFOMDRB-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CN1C[C@@H](C)CC1=O ZINC000738082492 585040882 /nfs/dbraw/zinc/04/08/82/585040882.db2.gz ALKZHQSDFOMDRB-WDEREUQCSA-N 1 2 226.320 0.923 20 0 BCADLO Cn1c(C=O)ccc1C(=O)OCCn1cc[nH+]c1 ZINC000838090230 585045695 /nfs/dbraw/zinc/04/56/95/585045695.db2.gz BMOZMWKKGHCBLS-UHFFFAOYSA-N 1 2 247.254 0.891 20 0 BCADLO CC[C@@](C)(CO)C(=O)OCC[NH+]1CCOCC1 ZINC000838207507 585048153 /nfs/dbraw/zinc/04/81/53/585048153.db2.gz OQVZWHXLZAWVGM-LBPRGKRZSA-N 1 2 245.319 0.270 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000838795708 585068799 /nfs/dbraw/zinc/06/87/99/585068799.db2.gz DKZUNJGPJIVVRH-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000838795708 585068800 /nfs/dbraw/zinc/06/88/00/585068800.db2.gz DKZUNJGPJIVVRH-LLVKDONJSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[NH+]2CCC(CCO)CC2)n1 ZINC000838791385 585070242 /nfs/dbraw/zinc/07/02/42/585070242.db2.gz UCYQTWLWWWSNSS-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000838842813 585074169 /nfs/dbraw/zinc/07/41/69/585074169.db2.gz WUXSDAHIZAZIKC-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000838842813 585074170 /nfs/dbraw/zinc/07/41/70/585074170.db2.gz WUXSDAHIZAZIKC-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CC(C)[C@@H](C(=O)OCc1c[nH]nn1)[NH+](C)C ZINC000838897532 585079166 /nfs/dbraw/zinc/07/91/66/585079166.db2.gz IKHPGUKBRUSDRD-VIFPVBQESA-N 1 2 226.280 0.434 20 0 BCADLO CCn1ncc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000839100925 585090858 /nfs/dbraw/zinc/09/08/58/585090858.db2.gz UEOJTGDSXSSWOC-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000839100925 585090859 /nfs/dbraw/zinc/09/08/59/585090859.db2.gz UEOJTGDSXSSWOC-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000839189630 585096896 /nfs/dbraw/zinc/09/68/96/585096896.db2.gz AXCCNOXTVMJBAI-RKDXNWHRSA-N 1 2 228.292 0.211 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC1 ZINC000741147859 585110623 /nfs/dbraw/zinc/11/06/23/585110623.db2.gz WXWWYPRLIQBCLD-SNVBAGLBSA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC1 ZINC000741147859 585110624 /nfs/dbraw/zinc/11/06/24/585110624.db2.gz WXWWYPRLIQBCLD-SNVBAGLBSA-N 1 2 240.303 0.293 20 0 BCADLO CCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147843 585110721 /nfs/dbraw/zinc/11/07/21/585110721.db2.gz WMDUKVYLPYPCDD-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147843 585110722 /nfs/dbraw/zinc/11/07/22/585110722.db2.gz WMDUKVYLPYPCDD-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000741251254 585111768 /nfs/dbraw/zinc/11/17/68/585111768.db2.gz ZYGITCLAAYGVSN-SECBINFHSA-N 1 2 239.275 0.174 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCCCO)CCO1 ZINC000741248079 585111804 /nfs/dbraw/zinc/11/18/04/585111804.db2.gz OELLFNXRRDJBPK-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCCCO)CCO1 ZINC000741248079 585111805 /nfs/dbraw/zinc/11/18/05/585111805.db2.gz OELLFNXRRDJBPK-SNVBAGLBSA-N 1 2 231.292 0.023 20 0 BCADLO C[C@@H](CNC(=O)c1nccn1C)Cn1cc[nH+]c1 ZINC000741259976 585111927 /nfs/dbraw/zinc/11/19/27/585111927.db2.gz AMOFRVXXSXLZLM-JTQLQIEISA-N 1 2 247.302 0.683 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000741777122 585117946 /nfs/dbraw/zinc/11/79/46/585117946.db2.gz JSXYLTYHKSPUTG-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000741777122 585117947 /nfs/dbraw/zinc/11/79/47/585117947.db2.gz JSXYLTYHKSPUTG-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cnc(C)nc1 ZINC000741787802 585119044 /nfs/dbraw/zinc/11/90/44/585119044.db2.gz UKZUXJQFGIXERG-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cnc(C)nc1 ZINC000741787802 585119045 /nfs/dbraw/zinc/11/90/45/585119045.db2.gz UKZUXJQFGIXERG-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc[n+]2[O-])CC[N@@H+]1C ZINC000742195069 585123131 /nfs/dbraw/zinc/12/31/31/585123131.db2.gz FJWYOFHNVWSFME-JTQLQIEISA-N 1 2 235.287 0.096 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc[n+]2[O-])CC[N@H+]1C ZINC000742195069 585123132 /nfs/dbraw/zinc/12/31/32/585123132.db2.gz FJWYOFHNVWSFME-JTQLQIEISA-N 1 2 235.287 0.096 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1ccn(C)c(=O)c1 ZINC000742594577 585128478 /nfs/dbraw/zinc/12/84/78/585128478.db2.gz UFMNEARZNIKAJK-UHFFFAOYSA-N 1 2 238.287 0.380 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1ccn(C)c(=O)c1 ZINC000742594577 585128479 /nfs/dbraw/zinc/12/84/79/585128479.db2.gz UFMNEARZNIKAJK-UHFFFAOYSA-N 1 2 238.287 0.380 20 0 BCADLO COC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000742762535 585131169 /nfs/dbraw/zinc/13/11/69/585131169.db2.gz PKYIWRCQZKCJHX-SNVBAGLBSA-N 1 2 228.292 0.549 20 0 BCADLO O=C1CC2(CCC2)N1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435884 585150337 /nfs/dbraw/zinc/15/03/37/585150337.db2.gz GLPMOSBCMKGKAI-PHIMTYICSA-N 1 2 236.315 0.962 20 0 BCADLO O=C1CC2(CCC2)N1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435884 585150338 /nfs/dbraw/zinc/15/03/38/585150338.db2.gz GLPMOSBCMKGKAI-PHIMTYICSA-N 1 2 236.315 0.962 20 0 BCADLO CCOC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082355 585156199 /nfs/dbraw/zinc/15/61/99/585156199.db2.gz NXSDRTPAJORWGS-ZJUUUORDSA-N 1 2 243.303 0.966 20 0 BCADLO CCOC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082355 585156200 /nfs/dbraw/zinc/15/62/00/585156200.db2.gz NXSDRTPAJORWGS-ZJUUUORDSA-N 1 2 243.303 0.966 20 0 BCADLO CN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000745082907 585156549 /nfs/dbraw/zinc/15/65/49/585156549.db2.gz RTZMPSASZWDYNR-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC000745082907 585156550 /nfs/dbraw/zinc/15/65/50/585156550.db2.gz RTZMPSASZWDYNR-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745085925 585156682 /nfs/dbraw/zinc/15/66/82/585156682.db2.gz PFOOFEFNYYRYCA-RKDXNWHRSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745085925 585156683 /nfs/dbraw/zinc/15/66/83/585156683.db2.gz PFOOFEFNYYRYCA-RKDXNWHRSA-N 1 2 227.260 0.329 20 0 BCADLO CC[C@H](OC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC000745084606 585156696 /nfs/dbraw/zinc/15/66/96/585156696.db2.gz WNIYWOORWJXNGT-ZJUUUORDSA-N 1 2 242.319 0.668 20 0 BCADLO CC[C@H](OC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC000745084606 585156697 /nfs/dbraw/zinc/15/66/97/585156697.db2.gz WNIYWOORWJXNGT-ZJUUUORDSA-N 1 2 242.319 0.668 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCOC1=O ZINC000745983578 585162261 /nfs/dbraw/zinc/16/22/61/585162261.db2.gz YHYPFLKJSROBSM-UWVGGRQHSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCOC1=O ZINC000745983578 585162262 /nfs/dbraw/zinc/16/22/62/585162262.db2.gz YHYPFLKJSROBSM-UWVGGRQHSA-N 1 2 213.277 0.803 20 0 BCADLO Cc1nonc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000746266317 585166703 /nfs/dbraw/zinc/16/67/03/585166703.db2.gz GSLWUEXCGGGDJJ-UHFFFAOYSA-N 1 2 233.231 0.272 20 0 BCADLO CCCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746475888 585168435 /nfs/dbraw/zinc/16/84/35/585168435.db2.gz RPRDMPDAVXWBDX-OAHLLOKOSA-N 1 2 232.393 0.783 20 0 BCADLO NC(=O)C[N@H+](CCF)Cc1ccccc1 ZINC000746505390 585169049 /nfs/dbraw/zinc/16/90/49/585169049.db2.gz JRYWPKFESDXFDK-UHFFFAOYSA-N 1 2 210.252 0.943 20 0 BCADLO NC(=O)C[N@@H+](CCF)Cc1ccccc1 ZINC000746505390 585169050 /nfs/dbraw/zinc/16/90/50/585169050.db2.gz JRYWPKFESDXFDK-UHFFFAOYSA-N 1 2 210.252 0.943 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000746502074 585169130 /nfs/dbraw/zinc/16/91/30/585169130.db2.gz CLHYSJKDXRQLRF-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000746502074 585169131 /nfs/dbraw/zinc/16/91/31/585169131.db2.gz CLHYSJKDXRQLRF-VIFPVBQESA-N 1 2 230.308 0.506 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cn1ccsc1=O ZINC000746627434 585171373 /nfs/dbraw/zinc/17/13/73/585171373.db2.gz YXPLUDXTJADJLO-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cn1ccsc1=O ZINC000746627434 585171374 /nfs/dbraw/zinc/17/13/74/585171374.db2.gz YXPLUDXTJADJLO-VIFPVBQESA-N 1 2 228.317 0.978 20 0 BCADLO CCOCCC(=O)OCC[NH+]1CCOCC1 ZINC000747699968 585182538 /nfs/dbraw/zinc/18/25/38/585182538.db2.gz RAMXHXNZPGHECY-UHFFFAOYSA-N 1 2 231.292 0.288 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1(O)CCCC1 ZINC000747689727 585182545 /nfs/dbraw/zinc/18/25/45/585182545.db2.gz VRHBJWOQWLTIKZ-UHFFFAOYSA-N 1 2 243.303 0.167 20 0 BCADLO O=C(/C=C\C1CC1)OCC[NH+]1CCOCC1 ZINC000747710630 585182791 /nfs/dbraw/zinc/18/27/91/585182791.db2.gz NSZASYDFJSXUMW-ARJAWSKDSA-N 1 2 225.288 0.828 20 0 BCADLO Cn1cc(/C=C\C(=O)OCc2c[nH+]cn2C)cn1 ZINC000747784317 585184296 /nfs/dbraw/zinc/18/42/96/585184296.db2.gz YTFLBAHDKAJNLO-ARJAWSKDSA-N 1 2 246.270 0.910 20 0 BCADLO CCO[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747780039 585184383 /nfs/dbraw/zinc/18/43/83/585184383.db2.gz AVTVYZXBUWFFDI-QMMMGPOBSA-N 1 2 212.249 0.888 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@@H]1CCOC1 ZINC000747835549 585184965 /nfs/dbraw/zinc/18/49/65/585184965.db2.gz JCGFUEVHKUSFQT-SECBINFHSA-N 1 2 243.307 0.436 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC000886848782 585185118 /nfs/dbraw/zinc/18/51/18/585185118.db2.gz OKOWBVIDRZTTBC-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC000886848782 585185119 /nfs/dbraw/zinc/18/51/19/585185119.db2.gz OKOWBVIDRZTTBC-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO CCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748456607 585192901 /nfs/dbraw/zinc/19/29/01/585192901.db2.gz JGFZNPYYPHVLHZ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748456607 585192902 /nfs/dbraw/zinc/19/29/02/585192902.db2.gz JGFZNPYYPHVLHZ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCOC)C1 ZINC000748462955 585193277 /nfs/dbraw/zinc/19/32/77/585193277.db2.gz YVGYBAZFSIVCIO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCOC)C1 ZINC000748462955 585193278 /nfs/dbraw/zinc/19/32/78/585193278.db2.gz YVGYBAZFSIVCIO-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(C)=O)C1 ZINC000748461730 585193306 /nfs/dbraw/zinc/19/33/06/585193306.db2.gz VRZBONROBYMFMK-NXEZZACHSA-N 1 2 229.276 0.228 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(C)=O)C1 ZINC000748461730 585193307 /nfs/dbraw/zinc/19/33/07/585193307.db2.gz VRZBONROBYMFMK-NXEZZACHSA-N 1 2 229.276 0.228 20 0 BCADLO CC[C@@H](C)NC(=S)NN1CC[NH+](C)CC1 ZINC000749758979 585205395 /nfs/dbraw/zinc/20/53/95/585205395.db2.gz VMDJOYHWJBYVJD-SECBINFHSA-N 1 2 230.381 0.411 20 0 BCADLO O=Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)[nH]1 ZINC000749998616 585209304 /nfs/dbraw/zinc/20/93/04/585209304.db2.gz VIYDKCKZRXALJZ-UHFFFAOYSA-N 1 2 244.254 0.721 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)CN(C2CC2)C1=O ZINC000750535295 585217078 /nfs/dbraw/zinc/21/70/78/585217078.db2.gz ZTXPKSQODFBIOD-UHFFFAOYSA-N 1 2 248.286 0.830 20 0 BCADLO CCONC(=O)CC[NH+]1CCN(CC)CC1 ZINC000750664419 585217996 /nfs/dbraw/zinc/21/79/96/585217996.db2.gz AOMXMUINDRUCFZ-UHFFFAOYSA-N 1 2 229.324 0.082 20 0 BCADLO C/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747287 585219424 /nfs/dbraw/zinc/21/94/24/585219424.db2.gz QWNILJGXLBIXOJ-XOULXFPDSA-N 1 2 212.293 0.399 20 0 BCADLO C/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747287 585219425 /nfs/dbraw/zinc/21/94/25/585219425.db2.gz QWNILJGXLBIXOJ-XOULXFPDSA-N 1 2 212.293 0.399 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751013337 585223559 /nfs/dbraw/zinc/22/35/59/585223559.db2.gz BUQOLCKVCJTZNV-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)N1C ZINC000751428583 585230189 /nfs/dbraw/zinc/23/01/89/585230189.db2.gz YJJWRBAWCPAUPJ-VIFPVBQESA-N 1 2 249.270 0.650 20 0 BCADLO CS/C=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000751460822 585230418 /nfs/dbraw/zinc/23/04/18/585230418.db2.gz BPKAOJPIDOKAKR-GJQXAKHRSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCc1[nH+]ccn1C ZINC000751464960 585231095 /nfs/dbraw/zinc/23/10/95/585231095.db2.gz WNKVRJZMXSXKLJ-ZZXKWVIFSA-N 1 2 211.290 0.913 20 0 BCADLO CS/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751572725 585233159 /nfs/dbraw/zinc/23/31/59/585233159.db2.gz UCIMSOOXXUDFBG-ANRVEHPFSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751572725 585233160 /nfs/dbraw/zinc/23/31/60/585233160.db2.gz UCIMSOOXXUDFBG-ANRVEHPFSA-N 1 2 244.360 0.700 20 0 BCADLO CS/C=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000751581939 585233533 /nfs/dbraw/zinc/23/35/33/585233533.db2.gz NDCIVRSTGKETKV-LJJSCBMDSA-N 1 2 243.376 0.225 20 0 BCADLO CS/C=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000751581939 585233534 /nfs/dbraw/zinc/23/35/34/585233534.db2.gz NDCIVRSTGKETKV-LJJSCBMDSA-N 1 2 243.376 0.225 20 0 BCADLO CS/C=C\C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000751581938 585233640 /nfs/dbraw/zinc/23/36/40/585233640.db2.gz NDCIVRSTGKETKV-ISGFRBBESA-N 1 2 243.376 0.225 20 0 BCADLO CS/C=C\C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000751581938 585233641 /nfs/dbraw/zinc/23/36/41/585233641.db2.gz NDCIVRSTGKETKV-ISGFRBBESA-N 1 2 243.376 0.225 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000751824696 585237197 /nfs/dbraw/zinc/23/71/97/585237197.db2.gz OUOMDPSSKSKQQJ-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000751824696 585237198 /nfs/dbraw/zinc/23/71/98/585237198.db2.gz OUOMDPSSKSKQQJ-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H](O)c1ccccc1 ZINC000752955571 585251875 /nfs/dbraw/zinc/25/18/75/585251875.db2.gz RJCZRWGDPBAGIP-GFCCVEGCSA-N 1 2 245.282 0.770 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H](O)c1ccccc1 ZINC000752955574 585251905 /nfs/dbraw/zinc/25/19/05/585251905.db2.gz RJCZRWGDPBAGIP-LBPRGKRZSA-N 1 2 245.282 0.770 20 0 BCADLO CON(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000753401253 585258137 /nfs/dbraw/zinc/25/81/37/585258137.db2.gz TVDFVWFMTSQREL-UHFFFAOYSA-N 1 2 226.280 0.866 20 0 BCADLO C[C@@H]1COCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000754234975 585280687 /nfs/dbraw/zinc/28/06/87/585280687.db2.gz PMYJIKICIUNZFZ-JTQLQIEISA-N 1 2 223.276 0.378 20 0 BCADLO C/C=C\C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754300618 585282200 /nfs/dbraw/zinc/28/22/00/585282200.db2.gz WDKOEZCYLXHLSB-MJSXRHKHSA-N 1 2 244.360 0.085 20 0 BCADLO CCOC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754298853 585282206 /nfs/dbraw/zinc/28/22/06/585282206.db2.gz NWXBCZYDJJCQSS-INIZCTEOSA-N 1 2 248.348 0.139 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000754381821 585283929 /nfs/dbraw/zinc/28/39/29/585283929.db2.gz VIRKBPRVUPDZOA-SECBINFHSA-N 1 2 237.303 0.959 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000754381821 585283930 /nfs/dbraw/zinc/28/39/30/585283930.db2.gz VIRKBPRVUPDZOA-SECBINFHSA-N 1 2 237.303 0.959 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000754542156 585285835 /nfs/dbraw/zinc/28/58/35/585285835.db2.gz TZNCOXLYLBRCJF-WCBMZHEXSA-N 1 2 243.303 0.869 20 0 BCADLO CC[C@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000754683576 585289458 /nfs/dbraw/zinc/28/94/58/585289458.db2.gz IJLIOJLZPQHABP-VIFPVBQESA-N 1 2 212.249 0.888 20 0 BCADLO Cn1ccc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000754827336 585290891 /nfs/dbraw/zinc/29/08/91/585290891.db2.gz XXWNKMUVZQFYQN-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO Cn1ccc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000754827336 585290892 /nfs/dbraw/zinc/29/08/92/585290892.db2.gz XXWNKMUVZQFYQN-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO O=C(/C=C/c1ccncn1)OCCn1cc[nH+]c1 ZINC000754924744 585292196 /nfs/dbraw/zinc/29/21/96/585292196.db2.gz TVVRNLHUANMURF-OWOJBTEDSA-N 1 2 244.254 0.930 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H](CCO)C1CC1 ZINC000757074889 585327722 /nfs/dbraw/zinc/32/77/22/585327722.db2.gz ZOXQOUUALVHCLY-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1nc([C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000839533333 585329219 /nfs/dbraw/zinc/32/92/19/585329219.db2.gz HOLLBSOPBPLDMK-DTWKUNHWSA-N 1 2 223.324 0.810 20 0 BCADLO Cc1nc([C@@H](C)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000839533333 585329220 /nfs/dbraw/zinc/32/92/20/585329220.db2.gz HOLLBSOPBPLDMK-DTWKUNHWSA-N 1 2 223.324 0.810 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839622527 585332794 /nfs/dbraw/zinc/33/27/94/585332794.db2.gz DEOSDXDUKFQBAP-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839622527 585332795 /nfs/dbraw/zinc/33/27/95/585332795.db2.gz DEOSDXDUKFQBAP-LLVKDONJSA-N 1 2 242.319 0.507 20 0 BCADLO CCC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839670563 585336109 /nfs/dbraw/zinc/33/61/09/585336109.db2.gz HSXSCPSRYDOZHI-GXSJLCMTSA-N 1 2 215.293 0.437 20 0 BCADLO CCC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839670563 585336110 /nfs/dbraw/zinc/33/61/10/585336110.db2.gz HSXSCPSRYDOZHI-GXSJLCMTSA-N 1 2 215.293 0.437 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839671560 585336250 /nfs/dbraw/zinc/33/62/50/585336250.db2.gz MIDWCDGJEHVJJM-CMPLNLGQSA-N 1 2 229.320 0.683 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839671560 585336251 /nfs/dbraw/zinc/33/62/51/585336251.db2.gz MIDWCDGJEHVJJM-CMPLNLGQSA-N 1 2 229.320 0.683 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000839675685 585336739 /nfs/dbraw/zinc/33/67/39/585336739.db2.gz QYWOZIUSFFHQAQ-KAAOYLEMSA-N 1 2 205.685 0.821 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000839675685 585336740 /nfs/dbraw/zinc/33/67/40/585336740.db2.gz QYWOZIUSFFHQAQ-KAAOYLEMSA-N 1 2 205.685 0.821 20 0 BCADLO CON(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000757655532 585343580 /nfs/dbraw/zinc/34/35/80/585343580.db2.gz OTVWNBFQPHRZSF-NSHDSACASA-N 1 2 242.319 0.650 20 0 BCADLO CON(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000757655532 585343581 /nfs/dbraw/zinc/34/35/81/585343581.db2.gz OTVWNBFQPHRZSF-NSHDSACASA-N 1 2 242.319 0.650 20 0 BCADLO C[C@@H]([N@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000758292340 585353290 /nfs/dbraw/zinc/35/32/90/585353290.db2.gz PLXOVYOYBPRXGD-SECBINFHSA-N 1 2 226.324 0.906 20 0 BCADLO C[C@@H]([N@@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000758292340 585353291 /nfs/dbraw/zinc/35/32/91/585353291.db2.gz PLXOVYOYBPRXGD-SECBINFHSA-N 1 2 226.324 0.906 20 0 BCADLO Cn1cnn(C[NH+]2CCC(C)(C)CC2)c1=O ZINC000758315156 585353791 /nfs/dbraw/zinc/35/37/91/585353791.db2.gz ACQMJVCFXOHVBT-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO C[C@H]1C[N@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000758341713 585353972 /nfs/dbraw/zinc/35/39/72/585353972.db2.gz SXQDHEWVCNWNKZ-DTORHVGOSA-N 1 2 210.281 0.127 20 0 BCADLO C[C@H]1C[N@@H+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000758341713 585353973 /nfs/dbraw/zinc/35/39/73/585353973.db2.gz SXQDHEWVCNWNKZ-DTORHVGOSA-N 1 2 210.281 0.127 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758331839 585354200 /nfs/dbraw/zinc/35/42/00/585354200.db2.gz IIBIXDYHOIXZAS-RKDXNWHRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758331839 585354201 /nfs/dbraw/zinc/35/42/01/585354201.db2.gz IIBIXDYHOIXZAS-RKDXNWHRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1C[NH+](Cn2ncn(C)c2=O)C[C@H]1C ZINC000758341722 585354440 /nfs/dbraw/zinc/35/44/40/585354440.db2.gz SXQDHEWVCNWNKZ-RKDXNWHRSA-N 1 2 210.281 0.127 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000758533338 585356979 /nfs/dbraw/zinc/35/69/79/585356979.db2.gz OEVVQHVEVSGEAZ-MRVPVSSYSA-N 1 2 240.259 0.663 20 0 BCADLO COC(=O)C[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000758533344 585357104 /nfs/dbraw/zinc/35/71/04/585357104.db2.gz OEVVQHVEVSGEAZ-QMMMGPOBSA-N 1 2 240.259 0.663 20 0 BCADLO CCN(C)C(=O)CO[NH+]=C(N)COC(C)C ZINC000758763347 585359658 /nfs/dbraw/zinc/35/96/58/585359658.db2.gz SXGKRDASENPXMI-UHFFFAOYSA-N 1 2 231.296 0.388 20 0 BCADLO O=C(CCn1cc[nH+]c1)NOCC(F)F ZINC000759329017 585367639 /nfs/dbraw/zinc/36/76/39/585367639.db2.gz VAFQJRNAVDPXBK-UHFFFAOYSA-N 1 2 219.191 0.586 20 0 BCADLO CCN(CC)C(=O)C[NH+]1CCN(CCF)CC1 ZINC000759332696 585368292 /nfs/dbraw/zinc/36/82/92/585368292.db2.gz QEZOBXKRLMFIKA-UHFFFAOYSA-N 1 2 245.342 0.442 20 0 BCADLO C[C@](CO)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000759532581 585374844 /nfs/dbraw/zinc/37/48/44/585374844.db2.gz DMSQANDSRRXWJB-GFCCVEGCSA-N 1 2 237.303 0.550 20 0 BCADLO CCC1(CC)[C@@H]([NH2+]CC(=O)NOC)C[C@@H]1OC ZINC000759612055 585377040 /nfs/dbraw/zinc/37/70/40/585377040.db2.gz CQJOSXPBVOZCTC-UWVGGRQHSA-N 1 2 244.335 0.847 20 0 BCADLO CC[N@H+](Cn1nc(COC)oc1=O)C1CCC1 ZINC000759734379 585379497 /nfs/dbraw/zinc/37/94/97/585379497.db2.gz ZWECUXOUTQEDAC-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO CC[N@@H+](Cn1nc(COC)oc1=O)C1CCC1 ZINC000759734379 585379498 /nfs/dbraw/zinc/37/94/98/585379498.db2.gz ZWECUXOUTQEDAC-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO COCc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=O)o1 ZINC000759733609 585379538 /nfs/dbraw/zinc/37/95/38/585379538.db2.gz NRNYCQLRZDSGPG-DTWKUNHWSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=O)o1 ZINC000759733609 585379539 /nfs/dbraw/zinc/37/95/39/585379539.db2.gz NRNYCQLRZDSGPG-DTWKUNHWSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@@H](C)C2)c(=O)o1 ZINC000759731875 585379634 /nfs/dbraw/zinc/37/96/34/585379634.db2.gz PBKLYGSPMHNNKO-MRVPVSSYSA-N 1 2 227.264 0.282 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@@H](C)C2)c(=O)o1 ZINC000759731875 585379635 /nfs/dbraw/zinc/37/96/35/585379635.db2.gz PBKLYGSPMHNNKO-MRVPVSSYSA-N 1 2 227.264 0.282 20 0 BCADLO NC(=O)c1cc(C(=O)OCCn2cc[nH+]c2)co1 ZINC000759776958 585379981 /nfs/dbraw/zinc/37/99/81/585379981.db2.gz SGZPEXVTUJTJMZ-UHFFFAOYSA-N 1 2 249.226 0.432 20 0 BCADLO COC(C[N@@H+]1CC[C@H](C)[S@@](=O)CC1)OC ZINC000759876141 585381879 /nfs/dbraw/zinc/38/18/79/585381879.db2.gz RIZSYXJTOKTMCP-VFZGTOFNSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[C@H](C)[S@@](=O)CC1)OC ZINC000759876141 585381880 /nfs/dbraw/zinc/38/18/80/585381880.db2.gz RIZSYXJTOKTMCP-VFZGTOFNSA-N 1 2 235.349 0.448 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C1CC(O)C1 ZINC000759874016 585382148 /nfs/dbraw/zinc/38/21/48/585382148.db2.gz UGUAKNKUDLQEBB-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000759874016 585382149 /nfs/dbraw/zinc/38/21/49/585382149.db2.gz UGUAKNKUDLQEBB-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO COC(C[N@@H+]1CC[C@@H](C)[S@](=O)CC1)OC ZINC000759876140 585382251 /nfs/dbraw/zinc/38/22/51/585382251.db2.gz RIZSYXJTOKTMCP-RFAUZJTJSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[C@@H](C)[S@](=O)CC1)OC ZINC000759876140 585382252 /nfs/dbraw/zinc/38/22/52/585382252.db2.gz RIZSYXJTOKTMCP-RFAUZJTJSA-N 1 2 235.349 0.448 20 0 BCADLO CN(C(=O)c1cccc2[nH+]ccn21)C1CC(O)C1 ZINC000760059727 585384985 /nfs/dbraw/zinc/38/49/85/585384985.db2.gz ZFAPYTFUENBYTB-UHFFFAOYSA-N 1 2 245.282 0.930 20 0 BCADLO CC(C)=CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000760913428 585401620 /nfs/dbraw/zinc/40/16/20/585401620.db2.gz AAOJKZFINHPDIG-MNOVXSKESA-N 1 2 224.304 0.494 20 0 BCADLO CC(C)=CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000760913428 585401621 /nfs/dbraw/zinc/40/16/21/585401621.db2.gz AAOJKZFINHPDIG-MNOVXSKESA-N 1 2 224.304 0.494 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761078737 585406631 /nfs/dbraw/zinc/40/66/31/585406631.db2.gz XTVRNPKBIWBTCL-NEPJUHHUSA-N 1 2 241.379 0.927 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761078737 585406632 /nfs/dbraw/zinc/40/66/32/585406632.db2.gz XTVRNPKBIWBTCL-NEPJUHHUSA-N 1 2 241.379 0.927 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1SCCS1 ZINC000761155963 585411455 /nfs/dbraw/zinc/41/14/55/585411455.db2.gz AKUWPFBUVIWZBN-UHFFFAOYSA-N 1 2 243.357 0.875 20 0 BCADLO CCCN1CC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000761230281 585412662 /nfs/dbraw/zinc/41/26/62/585412662.db2.gz GHNLZQIDZGPWGC-UHFFFAOYSA-N 1 2 236.275 0.594 20 0 BCADLO CNC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761839939 585419714 /nfs/dbraw/zinc/41/97/14/585419714.db2.gz XTXYZNWZRZIWMQ-UHFFFAOYSA-N 1 2 220.301 0.928 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000762021517 585424482 /nfs/dbraw/zinc/42/44/82/585424482.db2.gz BZCLBKLZLLAAAV-SNVBAGLBSA-N 1 2 245.344 0.615 20 0 BCADLO CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)C(=O)O1 ZINC000762040146 585424862 /nfs/dbraw/zinc/42/48/62/585424862.db2.gz DOCJFOHCIGDYTP-QMMMGPOBSA-N 1 2 237.259 0.093 20 0 BCADLO Cn1nccc1CCNC(=O)CCn1cc[nH+]c1 ZINC000762501594 585433358 /nfs/dbraw/zinc/43/33/58/585433358.db2.gz JIYKDHWBCMXBCS-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO Cc1ccc([C@@H](O)CNC(=O)Cn2cc[nH+]c2)o1 ZINC000762516667 585433585 /nfs/dbraw/zinc/43/35/85/585433585.db2.gz CAWAKOVLTOFBLO-JTQLQIEISA-N 1 2 249.270 0.634 20 0 BCADLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)COC(C)C ZINC000762712911 585435816 /nfs/dbraw/zinc/43/58/16/585435816.db2.gz RPAHULXWEOFGBR-SECBINFHSA-N 1 2 245.323 0.825 20 0 BCADLO Cn1ccsc1=NC(=O)C1([NH+](C)C)CCC1 ZINC000762970753 585440317 /nfs/dbraw/zinc/44/03/17/585440317.db2.gz DRXWMCQBFWCSDQ-UHFFFAOYSA-N 1 2 239.344 0.998 20 0 BCADLO Cc1nc(NC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC000763040149 585442248 /nfs/dbraw/zinc/44/22/48/585442248.db2.gz VBWJXUPZVPKQOX-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1nnc(NC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC000763040149 585442249 /nfs/dbraw/zinc/44/22/49/585442249.db2.gz VBWJXUPZVPKQOX-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cc1n[nH]c(NC(=O)C2([NH+](C)C)CCC2)n1 ZINC000763040149 585442250 /nfs/dbraw/zinc/44/22/50/585442250.db2.gz VBWJXUPZVPKQOX-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cn1cc(C(=O)OCCCn2cc[nH+]c2)cn1 ZINC000763286345 585446033 /nfs/dbraw/zinc/44/60/33/585446033.db2.gz FLPCLFQTFKZOJT-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO O=C1O[C@H](C[NH+]2CCOCC2)CC12CC2 ZINC000763649653 585451650 /nfs/dbraw/zinc/45/16/50/585451650.db2.gz KUFZTULKQDNTDZ-VIFPVBQESA-N 1 2 211.261 0.414 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676079 585451730 /nfs/dbraw/zinc/45/17/30/585451730.db2.gz QWNHRTHTISVVIY-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676079 585451731 /nfs/dbraw/zinc/45/17/31/585451731.db2.gz QWNHRTHTISVVIY-VIFPVBQESA-N 1 2 241.287 0.577 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763692231 585452700 /nfs/dbraw/zinc/45/27/00/585452700.db2.gz SXBNFQREBDMJHI-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763692231 585452701 /nfs/dbraw/zinc/45/27/01/585452701.db2.gz SXBNFQREBDMJHI-SNVBAGLBSA-N 1 2 235.287 0.937 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763743068 585453745 /nfs/dbraw/zinc/45/37/45/585453745.db2.gz XUWKWRSJUFVLOO-JTQLQIEISA-N 1 2 249.314 0.948 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763743068 585453746 /nfs/dbraw/zinc/45/37/46/585453746.db2.gz XUWKWRSJUFVLOO-JTQLQIEISA-N 1 2 249.314 0.948 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)CC[S@](=O)C1 ZINC000763878158 585455971 /nfs/dbraw/zinc/45/59/71/585455971.db2.gz RQMIZNKMDFSFHC-PSLIRLAXSA-N 1 2 233.333 0.060 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)CC[S@](=O)C1 ZINC000763878158 585455972 /nfs/dbraw/zinc/45/59/72/585455972.db2.gz RQMIZNKMDFSFHC-PSLIRLAXSA-N 1 2 233.333 0.060 20 0 BCADLO CCCCOC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763892437 585456150 /nfs/dbraw/zinc/45/61/50/585456150.db2.gz FQEDVBZBFRJOEW-GFCCVEGCSA-N 1 2 245.319 0.413 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763892437 585456151 /nfs/dbraw/zinc/45/61/51/585456151.db2.gz FQEDVBZBFRJOEW-GFCCVEGCSA-N 1 2 245.319 0.413 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NC(C)(C)C ZINC000764202597 585461662 /nfs/dbraw/zinc/46/16/62/585461662.db2.gz HRJVTNMQLJZKGN-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NC(C)(C)C ZINC000764202597 585461663 /nfs/dbraw/zinc/46/16/63/585461663.db2.gz HRJVTNMQLJZKGN-SECBINFHSA-N 1 2 243.351 0.358 20 0 BCADLO Cc1cccn2cc(COC(=O)CO)[nH+]c12 ZINC000765399457 585485418 /nfs/dbraw/zinc/48/54/18/585485418.db2.gz DMBOZSGNAHHWHQ-UHFFFAOYSA-N 1 2 220.228 0.678 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000765518552 585488990 /nfs/dbraw/zinc/48/89/90/585488990.db2.gz XDPDFQOSYKFUOQ-VIFPVBQESA-N 1 2 234.255 0.704 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1COC(=O)C1 ZINC000765545568 585489324 /nfs/dbraw/zinc/48/93/24/585489324.db2.gz KILBEBJVXNLSQR-SECBINFHSA-N 1 2 248.282 0.958 20 0 BCADLO Cc1nc(C(=O)NCCCCn2cc[nH+]c2)no1 ZINC000766500020 585503299 /nfs/dbraw/zinc/50/32/99/585503299.db2.gz DSAKCQBQKDRSMO-UHFFFAOYSA-N 1 2 249.274 0.785 20 0 BCADLO COC(=O)C1(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000766867935 585508861 /nfs/dbraw/zinc/50/88/61/585508861.db2.gz DLPPKUDESXYPFM-UHFFFAOYSA-N 1 2 238.243 0.417 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C1CC1 ZINC000767396491 585519152 /nfs/dbraw/zinc/51/91/52/585519152.db2.gz RMTYSIKBSFEZAO-SNVBAGLBSA-N 1 2 224.304 0.566 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C1CC1 ZINC000767396491 585519153 /nfs/dbraw/zinc/51/91/53/585519153.db2.gz RMTYSIKBSFEZAO-SNVBAGLBSA-N 1 2 224.304 0.566 20 0 BCADLO COC(=O)C[N@H+](CCC(=O)C1CC1)C1CC1 ZINC000767413732 585519242 /nfs/dbraw/zinc/51/92/42/585519242.db2.gz FHFUOZOJKLGGID-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)C[N@@H+](CCC(=O)C1CC1)C1CC1 ZINC000767413732 585519243 /nfs/dbraw/zinc/51/92/43/585519243.db2.gz FHFUOZOJKLGGID-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO CN1CC[N@H+](CCC(=O)C2CC2)C(C)(C)C1=O ZINC000767413317 585519326 /nfs/dbraw/zinc/51/93/26/585519326.db2.gz AIIMVKVAMXLCBH-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CN1CC[N@@H+](CCC(=O)C2CC2)C(C)(C)C1=O ZINC000767413317 585519327 /nfs/dbraw/zinc/51/93/27/585519327.db2.gz AIIMVKVAMXLCBH-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO O=C(CC[N@@H+]1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000767414998 585519557 /nfs/dbraw/zinc/51/95/57/585519557.db2.gz NBRUANKHTVQDCH-UHFFFAOYSA-N 1 2 236.315 0.662 20 0 BCADLO O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000767414998 585519558 /nfs/dbraw/zinc/51/95/58/585519558.db2.gz NBRUANKHTVQDCH-UHFFFAOYSA-N 1 2 236.315 0.662 20 0 BCADLO CC[N@H+](CCC(=O)C1CC1)CCS(C)(=O)=O ZINC000767461957 585520592 /nfs/dbraw/zinc/52/05/92/585520592.db2.gz GQXZBHFTOKZVJT-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO CC[N@@H+](CCC(=O)C1CC1)CCS(C)(=O)=O ZINC000767461957 585520593 /nfs/dbraw/zinc/52/05/93/585520593.db2.gz GQXZBHFTOKZVJT-UHFFFAOYSA-N 1 2 247.360 0.722 20 0 BCADLO CC(C)(O)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767526273 585522222 /nfs/dbraw/zinc/52/22/22/585522222.db2.gz XLZJVHRNRCHDNL-AOOOYVTPSA-N 1 2 243.303 0.164 20 0 BCADLO CC(C)(O)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767526273 585522223 /nfs/dbraw/zinc/52/22/23/585522223.db2.gz XLZJVHRNRCHDNL-AOOOYVTPSA-N 1 2 243.303 0.164 20 0 BCADLO O=C(NC1(CO)CCC1)c1cccc2[nH+]ccn21 ZINC000767890916 585527442 /nfs/dbraw/zinc/52/74/42/585527442.db2.gz YQOYLLJZELGNNS-UHFFFAOYSA-N 1 2 245.282 0.979 20 0 BCADLO Cc1nonc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000767895117 585527870 /nfs/dbraw/zinc/52/78/70/585527870.db2.gz HEUMHZYLGKXDPR-UHFFFAOYSA-N 1 2 247.258 0.825 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(COC)o1 ZINC000768302746 585535412 /nfs/dbraw/zinc/53/54/12/585535412.db2.gz PVSIRNVSPJSMFG-UHFFFAOYSA-N 1 2 240.303 0.994 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(COC)o1 ZINC000768302746 585535413 /nfs/dbraw/zinc/53/54/13/585535413.db2.gz PVSIRNVSPJSMFG-UHFFFAOYSA-N 1 2 240.303 0.994 20 0 BCADLO CC(=O)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000768345366 585536372 /nfs/dbraw/zinc/53/63/72/585536372.db2.gz ANOUEULCZPAUKT-UHFFFAOYSA-N 1 2 209.249 0.321 20 0 BCADLO CC(C)(F)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000768393099 585537916 /nfs/dbraw/zinc/53/79/16/585537916.db2.gz NSIRYEMECRMYAT-UHFFFAOYSA-N 1 2 246.326 0.962 20 0 BCADLO CC(C)(F)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000768393099 585537917 /nfs/dbraw/zinc/53/79/17/585537917.db2.gz NSIRYEMECRMYAT-UHFFFAOYSA-N 1 2 246.326 0.962 20 0 BCADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCS(C)(=O)=O ZINC000768768937 585542604 /nfs/dbraw/zinc/54/26/04/585542604.db2.gz DONNKNVTCJWNBP-VHSXEESVSA-N 1 2 234.365 0.055 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H](CCO)C1CC1 ZINC000768851467 585544765 /nfs/dbraw/zinc/54/47/65/585544765.db2.gz IKNNZSDXBQYABL-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO C[C@@](CO)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000768874671 585545179 /nfs/dbraw/zinc/54/51/79/585545179.db2.gz KHCLFLUZBPFKEM-NSHDSACASA-N 1 2 223.276 0.160 20 0 BCADLO CON(C)C(=O)C[NH2+][C@H](CCO)c1ccco1 ZINC000769223879 585551146 /nfs/dbraw/zinc/55/11/46/585551146.db2.gz XZSRZFXOLWGDNN-SECBINFHSA-N 1 2 242.275 0.313 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2COC(C)(C)O2)c[nH+]1 ZINC000769216949 585551218 /nfs/dbraw/zinc/55/12/18/585551218.db2.gz PSXBFMSSGXVDOI-QMMMGPOBSA-N 1 2 239.275 0.599 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769394705 585555219 /nfs/dbraw/zinc/55/52/19/585555219.db2.gz BYTSQAVNMOIIJJ-AWEZNQCLSA-N 1 2 249.310 0.910 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769394705 585555220 /nfs/dbraw/zinc/55/52/20/585555220.db2.gz BYTSQAVNMOIIJJ-AWEZNQCLSA-N 1 2 249.310 0.910 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000769515018 585558418 /nfs/dbraw/zinc/55/84/18/585558418.db2.gz CSMQYZHDDZXCPP-KWQFWETISA-N 1 2 237.303 0.959 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000769515018 585558419 /nfs/dbraw/zinc/55/84/19/585558419.db2.gz CSMQYZHDDZXCPP-KWQFWETISA-N 1 2 237.303 0.959 20 0 BCADLO Cn1c(CO)nn(C[NH+]2CCCC2)c1=S ZINC000769833978 585565021 /nfs/dbraw/zinc/56/50/21/585565021.db2.gz KJXKWHZIYJYOBV-UHFFFAOYSA-N 1 2 228.321 0.497 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCCOC1 ZINC000769878022 585565774 /nfs/dbraw/zinc/56/57/74/585565774.db2.gz OCMYCUFLOFLDHV-RKDXNWHRSA-N 1 2 216.281 0.946 20 0 BCADLO O=C(O[C@@H]1CCNC1=O)c1ccc2[nH+]ccn2c1 ZINC000770011813 585569230 /nfs/dbraw/zinc/56/92/30/585569230.db2.gz ACASXLWNGYYVDN-SECBINFHSA-N 1 2 245.238 0.380 20 0 BCADLO CC(C)OC[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000770704235 585580374 /nfs/dbraw/zinc/58/03/74/585580374.db2.gz DIVOEBMICWMBGG-LLVKDONJSA-N 1 2 245.319 0.485 20 0 BCADLO CC(C)OC[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000770704235 585580375 /nfs/dbraw/zinc/58/03/75/585580375.db2.gz DIVOEBMICWMBGG-LLVKDONJSA-N 1 2 245.319 0.485 20 0 BCADLO C[C@@H](NC(=O)C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000771093862 585590173 /nfs/dbraw/zinc/59/01/73/585590173.db2.gz RNWYXJCAHZXGPH-RNFRBKRXSA-N 1 2 240.225 0.384 20 0 BCADLO C[C@@H](NC(=O)C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000771093862 585590174 /nfs/dbraw/zinc/59/01/74/585590174.db2.gz RNWYXJCAHZXGPH-RNFRBKRXSA-N 1 2 240.225 0.384 20 0 BCADLO CN(C)c1cc[nH+]c(NCCc2nc[nH]n2)n1 ZINC000771172005 585591469 /nfs/dbraw/zinc/59/14/69/585591469.db2.gz LFBUZNCBHFXKOG-UHFFFAOYSA-N 1 2 233.279 0.315 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](CCS(C)(=O)=O)CCN1C ZINC000771459905 585594929 /nfs/dbraw/zinc/59/49/29/585594929.db2.gz MWHZQBWAZPQJEP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](CCS(C)(=O)=O)CCN1C ZINC000771459905 585594930 /nfs/dbraw/zinc/59/49/30/585594930.db2.gz MWHZQBWAZPQJEP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCS(C)(=O)=O ZINC000771459905 585594931 /nfs/dbraw/zinc/59/49/31/585594931.db2.gz MWHZQBWAZPQJEP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000771459905 585594932 /nfs/dbraw/zinc/59/49/32/585594932.db2.gz MWHZQBWAZPQJEP-NXEZZACHSA-N 1 2 234.365 0.055 20 0 BCADLO COc1cc[nH+]cc1COC(=O)[C@@H](O)C1CC1 ZINC000805448468 585599204 /nfs/dbraw/zinc/59/92/04/585599204.db2.gz NWUOTTCFXRPCNY-NSHDSACASA-N 1 2 237.255 0.904 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cc[n+]([O-])cc1 ZINC000771860232 585602751 /nfs/dbraw/zinc/60/27/51/585602751.db2.gz NUTJPIVRXYYMGT-UHFFFAOYSA-N 1 2 233.227 0.374 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771929792 585604796 /nfs/dbraw/zinc/60/47/96/585604796.db2.gz YQKPKDDNPFWRJG-UWVGGRQHSA-N 1 2 224.260 0.851 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000771936232 585604892 /nfs/dbraw/zinc/60/48/92/585604892.db2.gz AKSBBTHQHAOXJP-VIFPVBQESA-N 1 2 210.233 0.463 20 0 BCADLO Cn1cnnc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000771978794 585605970 /nfs/dbraw/zinc/60/59/70/585605970.db2.gz OWONBRGTLUWSHA-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO Cn1cnnc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000771978794 585605971 /nfs/dbraw/zinc/60/59/71/585605971.db2.gz OWONBRGTLUWSHA-VIFPVBQESA-N 1 2 238.291 0.343 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000772013780 585606990 /nfs/dbraw/zinc/60/69/90/585606990.db2.gz OEWIFCUPMWBKDC-JTQLQIEISA-N 1 2 224.260 0.995 20 0 BCADLO COC[C@H](O)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772231155 585610030 /nfs/dbraw/zinc/61/00/30/585610030.db2.gz KJMSHDRDJNDRTK-NSHDSACASA-N 1 2 239.271 0.749 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC(C)(C)O)C1 ZINC000805468460 585620534 /nfs/dbraw/zinc/62/05/34/585620534.db2.gz HFFATJKONZFOSS-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC(C)(C)O)C1 ZINC000805468460 585620535 /nfs/dbraw/zinc/62/05/35/585620535.db2.gz HFFATJKONZFOSS-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CCC(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805468825 585620624 /nfs/dbraw/zinc/62/06/24/585620624.db2.gz AAJXUJGBYIEWJH-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO CCC(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805468825 585620625 /nfs/dbraw/zinc/62/06/25/585620625.db2.gz AAJXUJGBYIEWJH-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO Cn1ccnc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772695976 585620868 /nfs/dbraw/zinc/62/08/68/585620868.db2.gz FDFIEMWAQJMWKY-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1ccnc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772695976 585620869 /nfs/dbraw/zinc/62/08/69/585620869.db2.gz FDFIEMWAQJMWKY-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2CC2)C1 ZINC000805476171 585629541 /nfs/dbraw/zinc/62/95/41/585629541.db2.gz KPRWHOZMFWJBRX-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2CC2)C1 ZINC000805476171 585629542 /nfs/dbraw/zinc/62/95/42/585629542.db2.gz KPRWHOZMFWJBRX-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805479461 585634578 /nfs/dbraw/zinc/63/45/78/585634578.db2.gz PYLDRDOWQIJPEO-MWLCHTKSSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805479461 585634579 /nfs/dbraw/zinc/63/45/79/585634579.db2.gz PYLDRDOWQIJPEO-MWLCHTKSSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805479457 585634648 /nfs/dbraw/zinc/63/46/48/585634648.db2.gz PYLDRDOWQIJPEO-GXSJLCMTSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805479457 585634649 /nfs/dbraw/zinc/63/46/49/585634649.db2.gz PYLDRDOWQIJPEO-GXSJLCMTSA-N 1 2 243.303 0.618 20 0 BCADLO C[C@H](C(=O)NN1CCCC1)[NH+]1CCSCC1 ZINC000773406872 585636100 /nfs/dbraw/zinc/63/61/00/585636100.db2.gz BDBHSEVPBBYWGT-SNVBAGLBSA-N 1 2 243.376 0.551 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000773407801 585636366 /nfs/dbraw/zinc/63/63/66/585636366.db2.gz FGGOQAXVTNVPLS-QMMMGPOBSA-N 1 2 240.332 0.544 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000773407801 585636367 /nfs/dbraw/zinc/63/63/67/585636367.db2.gz FGGOQAXVTNVPLS-QMMMGPOBSA-N 1 2 240.332 0.544 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000773407794 585636370 /nfs/dbraw/zinc/63/63/70/585636370.db2.gz FGGOQAXVTNVPLS-MRVPVSSYSA-N 1 2 240.332 0.544 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000773407794 585636371 /nfs/dbraw/zinc/63/63/71/585636371.db2.gz FGGOQAXVTNVPLS-MRVPVSSYSA-N 1 2 240.332 0.544 20 0 BCADLO NC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)C1CC1 ZINC000773574806 585640864 /nfs/dbraw/zinc/64/08/64/585640864.db2.gz GVUMLPKONQQZKM-SECBINFHSA-N 1 2 242.344 0.258 20 0 BCADLO NC(=O)[C@H]1CSCC[N@H+]1CCC(=O)C1CC1 ZINC000773574806 585640865 /nfs/dbraw/zinc/64/08/65/585640865.db2.gz GVUMLPKONQQZKM-SECBINFHSA-N 1 2 242.344 0.258 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H]1COCCO1 ZINC000774059253 585649191 /nfs/dbraw/zinc/64/91/91/585649191.db2.gz YZYRCPRDRDMNSN-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@@H]1COCCO1 ZINC000774059253 585649192 /nfs/dbraw/zinc/64/91/92/585649192.db2.gz YZYRCPRDRDMNSN-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COC[C@H](O)C(=O)OCc1c[nH+]ccc1OC ZINC000805521248 585664172 /nfs/dbraw/zinc/66/41/72/585664172.db2.gz XXDUVOSHJKYWCE-VIFPVBQESA-N 1 2 241.243 0.141 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774958251 585669698 /nfs/dbraw/zinc/66/96/98/585669698.db2.gz CTAVVLXOBPWMSG-SSDOTTSWSA-N 1 2 240.263 0.038 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774958251 585669699 /nfs/dbraw/zinc/66/96/99/585669699.db2.gz CTAVVLXOBPWMSG-SSDOTTSWSA-N 1 2 240.263 0.038 20 0 BCADLO C[C@H](C(=O)OCCCCO)[NH+]1CCSCC1 ZINC000774981547 585670085 /nfs/dbraw/zinc/67/00/85/585670085.db2.gz QIEDLXPHDFAQAC-SNVBAGLBSA-N 1 2 247.360 0.739 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000775570317 585680420 /nfs/dbraw/zinc/68/04/20/585680420.db2.gz WDCRRPIBEPYWKR-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1ccon1 ZINC000775570317 585680421 /nfs/dbraw/zinc/68/04/21/585680421.db2.gz WDCRRPIBEPYWKR-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCCNC(=O)C1 ZINC000775697234 585683452 /nfs/dbraw/zinc/68/34/52/585683452.db2.gz LWZLFMZWFIWIML-UHFFFAOYSA-N 1 2 248.286 0.166 20 0 BCADLO COC1CC(C[N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000859253586 589024727 /nfs/dbraw/zinc/02/47/27/589024727.db2.gz ZITAFRAJADNVQU-UHFFFAOYSA-N 1 2 238.291 0.224 20 0 BCADLO COC1CC(C[N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000859253586 589024729 /nfs/dbraw/zinc/02/47/29/589024729.db2.gz ZITAFRAJADNVQU-UHFFFAOYSA-N 1 2 238.291 0.224 20 0 BCADLO COC1CC(C[N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000859253586 589024732 /nfs/dbraw/zinc/02/47/32/589024732.db2.gz ZITAFRAJADNVQU-UHFFFAOYSA-N 1 2 238.291 0.224 20 0 BCADLO COC1CC(C[N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000859253586 589024733 /nfs/dbraw/zinc/02/47/33/589024733.db2.gz ZITAFRAJADNVQU-UHFFFAOYSA-N 1 2 238.291 0.224 20 0 BCADLO CCCC[N@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776757340 585704204 /nfs/dbraw/zinc/70/42/04/585704204.db2.gz MAXPJVRUJQZSDO-UHFFFAOYSA-N 1 2 249.318 0.819 20 0 BCADLO CCCC[N@@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776757340 585704205 /nfs/dbraw/zinc/70/42/05/585704205.db2.gz MAXPJVRUJQZSDO-UHFFFAOYSA-N 1 2 249.318 0.819 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000776773698 585705184 /nfs/dbraw/zinc/70/51/84/585705184.db2.gz UYOCPKCVWLIZHU-ZYHUDNBSSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000776773698 585705185 /nfs/dbraw/zinc/70/51/85/585705185.db2.gz UYOCPKCVWLIZHU-ZYHUDNBSSA-N 1 2 238.331 0.923 20 0 BCADLO Cc1ccnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000776876627 585706573 /nfs/dbraw/zinc/70/65/73/585706573.db2.gz CFFAGFTYMFYOBD-LLVKDONJSA-N 1 2 244.302 0.824 20 0 BCADLO Cc1ccnc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000776876627 585706574 /nfs/dbraw/zinc/70/65/74/585706574.db2.gz CFFAGFTYMFYOBD-LLVKDONJSA-N 1 2 244.302 0.824 20 0 BCADLO C[C@](O)(C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000805583884 585710612 /nfs/dbraw/zinc/71/06/12/585710612.db2.gz VQJNKNNGTNRQGB-GFCCVEGCSA-N 1 2 243.303 0.023 20 0 BCADLO C[C@@](O)(C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000805583885 585710752 /nfs/dbraw/zinc/71/07/52/585710752.db2.gz VQJNKNNGTNRQGB-LBPRGKRZSA-N 1 2 243.303 0.023 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC1OCCO1 ZINC000777715543 585719101 /nfs/dbraw/zinc/71/91/01/585719101.db2.gz BTBYSTXNQHADSZ-VIFPVBQESA-N 1 2 238.291 0.325 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC1OCCO1 ZINC000777715543 585719102 /nfs/dbraw/zinc/71/91/02/585719102.db2.gz BTBYSTXNQHADSZ-VIFPVBQESA-N 1 2 238.291 0.325 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)Nn1cnnc1 ZINC000777819049 585720473 /nfs/dbraw/zinc/72/04/73/585720473.db2.gz OHPSUEZXJAOIEP-UHFFFAOYSA-N 1 2 242.242 0.239 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2CCC=CO2)CC1 ZINC000777836224 585720784 /nfs/dbraw/zinc/72/07/84/585720784.db2.gz JORCUAURFMBTDD-JTQLQIEISA-N 1 2 210.277 0.453 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000778241303 585729535 /nfs/dbraw/zinc/72/95/35/585729535.db2.gz IHZUXGXKKSRWGH-SNVBAGLBSA-N 1 2 215.293 0.716 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000778241303 585729536 /nfs/dbraw/zinc/72/95/36/585729536.db2.gz IHZUXGXKKSRWGH-SNVBAGLBSA-N 1 2 215.293 0.716 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCF ZINC000778418720 585734431 /nfs/dbraw/zinc/73/44/31/585734431.db2.gz VBVANPWDDYIKKB-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCF ZINC000778418720 585734432 /nfs/dbraw/zinc/73/44/32/585734432.db2.gz VBVANPWDDYIKKB-VIFPVBQESA-N 1 2 202.273 0.899 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC=CCC1 ZINC000778577845 585737803 /nfs/dbraw/zinc/73/78/03/585737803.db2.gz ZPZKOVSZEQUOIN-CYBMUJFWSA-N 1 2 236.315 0.845 20 0 BCADLO O=C1C[C@]2(CCOC2)CN1C[N@@H+]1CC=CCC1 ZINC000778577845 585737804 /nfs/dbraw/zinc/73/78/04/585737804.db2.gz ZPZKOVSZEQUOIN-CYBMUJFWSA-N 1 2 236.315 0.845 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1ccn(C)n1 ZINC000778599419 585737935 /nfs/dbraw/zinc/73/79/35/585737935.db2.gz YANUNQDYZGAMCE-SSDOTTSWSA-N 1 2 212.253 0.453 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@@H]1CCCN(C)C1=O ZINC000778592383 585738011 /nfs/dbraw/zinc/73/80/11/585738011.db2.gz LUQFEERBZCICJX-SECBINFHSA-N 1 2 243.307 0.531 20 0 BCADLO C/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779097121 585745223 /nfs/dbraw/zinc/74/52/23/585745223.db2.gz UDMQCJCMPOMMOJ-XADBCAIWSA-N 1 2 205.261 0.890 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)nc1 ZINC000779153497 585746014 /nfs/dbraw/zinc/74/60/14/585746014.db2.gz IXZZADZEGYECJP-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)nc1 ZINC000779153497 585746015 /nfs/dbraw/zinc/74/60/15/585746015.db2.gz IXZZADZEGYECJP-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@]12CCOC2=O ZINC000779257928 585748573 /nfs/dbraw/zinc/74/85/73/585748573.db2.gz PLZKWRBCSHVVQO-LBPRGKRZSA-N 1 2 249.270 0.191 20 0 BCADLO CC[C@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC000779574545 585756398 /nfs/dbraw/zinc/75/63/98/585756398.db2.gz SRSCTPNIESUARN-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccoc3)C2)nn1 ZINC000779613190 585757258 /nfs/dbraw/zinc/75/72/58/585757258.db2.gz JBOUQOHDUIQVFO-SECBINFHSA-N 1 2 248.286 0.981 20 0 BCADLO CC(=O)OC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000779766877 585761625 /nfs/dbraw/zinc/76/16/25/585761625.db2.gz CBWXQNFWPUWMDW-UHFFFAOYSA-N 1 2 239.275 0.710 20 0 BCADLO NC(CCO)=[NH+]OCc1nc(C2CC2)no1 ZINC000780126345 585772745 /nfs/dbraw/zinc/77/27/45/585772745.db2.gz ZCTCRMBLBNAKRS-UHFFFAOYSA-N 1 2 226.236 0.328 20 0 BCADLO Cc1cnc([C@@H](C)O[NH+]=C(N)CCO)o1 ZINC000780127935 585772857 /nfs/dbraw/zinc/77/28/57/585772857.db2.gz QJYLHAPKTVMMNU-SSDOTTSWSA-N 1 2 213.237 0.925 20 0 BCADLO CSCCON=C(N)C[NH+]1CCSCC1 ZINC000780128300 585773026 /nfs/dbraw/zinc/77/30/26/585773026.db2.gz IREWMZGNWOLHFE-UHFFFAOYSA-N 1 2 249.405 0.897 20 0 BCADLO COc1ccc(NNC2=CC(=O)CN2)[nH+]c1 ZINC000780268087 585776114 /nfs/dbraw/zinc/77/61/14/585776114.db2.gz QVMVVWYNZFXPTQ-UHFFFAOYSA-N 1 2 220.232 0.861 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC1OCCO1 ZINC000781347711 585794841 /nfs/dbraw/zinc/79/48/41/585794841.db2.gz TZDUKMUCDWRXBQ-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@H+]1CC1OCCO1 ZINC000781347711 585794842 /nfs/dbraw/zinc/79/48/42/585794842.db2.gz TZDUKMUCDWRXBQ-SNVBAGLBSA-N 1 2 243.303 0.777 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC=CO1 ZINC000781487830 585797417 /nfs/dbraw/zinc/79/74/17/585797417.db2.gz NLUSMSZVSVHGLX-LLVKDONJSA-N 1 2 235.287 0.772 20 0 BCADLO COC(C[NH+]1CCN(C(=O)C(C)C)CC1)OC ZINC000781884370 585804591 /nfs/dbraw/zinc/80/45/91/585804591.db2.gz GWPDTZAAPQRHCJ-UHFFFAOYSA-N 1 2 244.335 0.406 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C)OC ZINC000781892854 585804918 /nfs/dbraw/zinc/80/49/18/585804918.db2.gz AKSUVVPMWHPNNO-QQXLSSBLSA-N 1 2 235.349 0.447 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C)OC ZINC000781892854 585804919 /nfs/dbraw/zinc/80/49/19/585804919.db2.gz AKSUVVPMWHPNNO-QQXLSSBLSA-N 1 2 235.349 0.447 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC(OC)OC ZINC000781919107 585805395 /nfs/dbraw/zinc/80/53/95/585805395.db2.gz FMXXBGQWIWCKPD-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC(OC)OC ZINC000781919107 585805396 /nfs/dbraw/zinc/80/53/96/585805396.db2.gz FMXXBGQWIWCKPD-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782001532 585806170 /nfs/dbraw/zinc/80/61/70/585806170.db2.gz ZRGAKJPATHDIKX-UHFFFAOYSA-N 1 2 242.275 0.124 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCCO1 ZINC000782238366 585812786 /nfs/dbraw/zinc/81/27/86/585812786.db2.gz ICDPJQMGHXNQLR-MNOVXSKESA-N 1 2 243.303 0.429 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)COC(C)C ZINC000782322502 585814825 /nfs/dbraw/zinc/81/48/25/585814825.db2.gz XZHKDXJWQWLWEG-MRVPVSSYSA-N 1 2 204.270 0.945 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCCOC[C@H]1CCCO1 ZINC000782336825 585815438 /nfs/dbraw/zinc/81/54/38/585815438.db2.gz GDVOFIXXAIHRGR-VHSXEESVSA-N 1 2 246.307 0.715 20 0 BCADLO CC1(C(=O)OCCn2cc[nH+]c2)COC1 ZINC000782392691 585816958 /nfs/dbraw/zinc/81/69/58/585816958.db2.gz GAQCTWGVZHWMOU-UHFFFAOYSA-N 1 2 210.233 0.463 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1c1cccc[nH+]1 ZINC000782399827 585817322 /nfs/dbraw/zinc/81/73/22/585817322.db2.gz RQRBUGGRWLQKBY-VIFPVBQESA-N 1 2 205.261 0.749 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2C[C@@]2(CO)C1 ZINC000782405662 585817680 /nfs/dbraw/zinc/81/76/80/585817680.db2.gz IAWFSHHLVNXIGR-PELKAZGASA-N 1 2 245.286 0.182 20 0 BCADLO CO[C@H](C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000782432652 585818081 /nfs/dbraw/zinc/81/80/81/585818081.db2.gz QMYMKZIBDNFYGX-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC1OCCO1 ZINC000782572688 585820208 /nfs/dbraw/zinc/82/02/08/585820208.db2.gz ATIJHIRYUFQTGM-JTQLQIEISA-N 1 2 242.319 0.206 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC1OCCO1 ZINC000782572688 585820209 /nfs/dbraw/zinc/82/02/09/585820209.db2.gz ATIJHIRYUFQTGM-JTQLQIEISA-N 1 2 242.319 0.206 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782590283 585821065 /nfs/dbraw/zinc/82/10/65/585821065.db2.gz COJWRBWCMJVJBP-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782590283 585821066 /nfs/dbraw/zinc/82/10/66/585821066.db2.gz COJWRBWCMJVJBP-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1Cc1c[nH+]cn1C ZINC000782594286 585821394 /nfs/dbraw/zinc/82/13/94/585821394.db2.gz RNHXMULGIPHKLQ-VIFPVBQESA-N 1 2 222.292 0.083 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782607250 585821653 /nfs/dbraw/zinc/82/16/53/585821653.db2.gz ULJNFIOWKFOZDB-MNOVXSKESA-N 1 2 247.360 0.124 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782607250 585821654 /nfs/dbraw/zinc/82/16/54/585821654.db2.gz ULJNFIOWKFOZDB-MNOVXSKESA-N 1 2 247.360 0.124 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606584 585821749 /nfs/dbraw/zinc/82/17/49/585821749.db2.gz SKTLIWQHYBHWLH-SKDRFNHKSA-N 1 2 227.304 0.642 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606584 585821750 /nfs/dbraw/zinc/82/17/50/585821750.db2.gz SKTLIWQHYBHWLH-SKDRFNHKSA-N 1 2 227.304 0.642 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782617408 585822385 /nfs/dbraw/zinc/82/23/85/585822385.db2.gz OUEIVDMHEKCIDC-OVYXKVPISA-N 1 2 223.276 0.753 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782617408 585822386 /nfs/dbraw/zinc/82/23/86/585822386.db2.gz OUEIVDMHEKCIDC-OVYXKVPISA-N 1 2 223.276 0.753 20 0 BCADLO c1nc2c(s1)C[N@H+](CC1OCCO1)CC2 ZINC000782634778 585823692 /nfs/dbraw/zinc/82/36/92/585823692.db2.gz JPPQHZXAVLTSRF-UHFFFAOYSA-N 1 2 226.301 0.874 20 0 BCADLO c1nc2c(s1)C[N@@H+](CC1OCCO1)CC2 ZINC000782634778 585823693 /nfs/dbraw/zinc/82/36/93/585823693.db2.gz JPPQHZXAVLTSRF-UHFFFAOYSA-N 1 2 226.301 0.874 20 0 BCADLO COCC[N@H+](CN1CCCC1=O)[C@@H]1CCOC1 ZINC000782962904 585826576 /nfs/dbraw/zinc/82/65/76/585826576.db2.gz PUQSCMDANZIENE-LLVKDONJSA-N 1 2 242.319 0.304 20 0 BCADLO COCC[N@@H+](CN1CCCC1=O)[C@@H]1CCOC1 ZINC000782962904 585826577 /nfs/dbraw/zinc/82/65/77/585826577.db2.gz PUQSCMDANZIENE-LLVKDONJSA-N 1 2 242.319 0.304 20 0 BCADLO Nc1nonc1C(=O)OCCCn1cc[nH+]c1 ZINC000783197696 585830170 /nfs/dbraw/zinc/83/01/70/585830170.db2.gz CLKSNLGFHDUQOE-UHFFFAOYSA-N 1 2 237.219 0.095 20 0 BCADLO COCCC(=O)OCCCn1cc[nH+]c1 ZINC000783407760 585834755 /nfs/dbraw/zinc/83/47/55/585834755.db2.gz DOOSACBPZFEECQ-UHFFFAOYSA-N 1 2 212.249 0.853 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccco1 ZINC000783727462 585840841 /nfs/dbraw/zinc/84/08/41/585840841.db2.gz CNSYJLASEOOKBJ-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccco1 ZINC000783727462 585840842 /nfs/dbraw/zinc/84/08/42/585840842.db2.gz CNSYJLASEOOKBJ-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732496 585841095 /nfs/dbraw/zinc/84/10/95/585841095.db2.gz FXRXAPPTZQKOEP-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732496 585841096 /nfs/dbraw/zinc/84/10/96/585841096.db2.gz FXRXAPPTZQKOEP-SECBINFHSA-N 1 2 236.319 0.391 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC1=CCCOC1 ZINC000783733487 585841275 /nfs/dbraw/zinc/84/12/75/585841275.db2.gz LXXHEYPAQRQFLU-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC1=CCCOC1 ZINC000783733487 585841276 /nfs/dbraw/zinc/84/12/76/585841276.db2.gz LXXHEYPAQRQFLU-SNVBAGLBSA-N 1 2 224.304 0.496 20 0 BCADLO COC[C@@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000783875535 585845260 /nfs/dbraw/zinc/84/52/60/585845260.db2.gz DGNPSNLSVRKNAL-LLVKDONJSA-N 1 2 242.275 0.214 20 0 BCADLO Cn1ncc(C(=O)OCCCn2cc[nH+]c2)c1N ZINC000783986747 585846392 /nfs/dbraw/zinc/84/63/92/585846392.db2.gz AXQIEXCPOWEPLW-UHFFFAOYSA-N 1 2 249.274 0.446 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000784410148 585858813 /nfs/dbraw/zinc/85/88/13/585858813.db2.gz CVGOEUIEAYUHMI-NSHDSACASA-N 1 2 246.326 0.771 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccnc(F)c1 ZINC000859273246 589026298 /nfs/dbraw/zinc/02/62/98/589026298.db2.gz IUGPVJZRGAPTPJ-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859273246 589026299 /nfs/dbraw/zinc/02/62/99/589026299.db2.gz IUGPVJZRGAPTPJ-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO Cn1ccc(CC(=O)OCCCn2cc[nH+]c2)n1 ZINC000784644682 585865282 /nfs/dbraw/zinc/86/52/82/585865282.db2.gz YIMWQCUPMQKEGE-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO COC(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784913803 585868243 /nfs/dbraw/zinc/86/82/43/585868243.db2.gz IMPYTFNXZPJMEP-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)(C(N)=O)C(=O)OCCCn1cc[nH+]c1 ZINC000785017557 585869555 /nfs/dbraw/zinc/86/95/55/585869555.db2.gz DYVSEVPFQSZIIN-UHFFFAOYSA-N 1 2 239.275 0.328 20 0 BCADLO C[C@@H](NC(=O)OCC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000785129836 585870922 /nfs/dbraw/zinc/87/09/22/585870922.db2.gz IDEDMPMGPCUJEV-MWLCHTKSSA-N 1 2 242.319 0.842 20 0 BCADLO C[C@@H](NC(=O)OCC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000785129836 585870923 /nfs/dbraw/zinc/87/09/23/585870923.db2.gz IDEDMPMGPCUJEV-MWLCHTKSSA-N 1 2 242.319 0.842 20 0 BCADLO C[C@@H](NC(=O)OCC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000785129834 585870930 /nfs/dbraw/zinc/87/09/30/585870930.db2.gz IDEDMPMGPCUJEV-KOLCDFICSA-N 1 2 242.319 0.842 20 0 BCADLO C[C@@H](NC(=O)OCC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000785129834 585870931 /nfs/dbraw/zinc/87/09/31/585870931.db2.gz IDEDMPMGPCUJEV-KOLCDFICSA-N 1 2 242.319 0.842 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785420806 585873496 /nfs/dbraw/zinc/87/34/96/585873496.db2.gz DRHTYMYBYGNSCA-IUCAKERBSA-N 1 2 225.292 0.996 20 0 BCADLO Cc1nc(Cc2noc([C@H](C)[NH+](C)C)n2)no1 ZINC000785557806 585875563 /nfs/dbraw/zinc/87/55/63/585875563.db2.gz CLKVRFQITJWSFM-LURJTMIESA-N 1 2 237.263 0.974 20 0 BCADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)cnn1 ZINC000786406417 585890426 /nfs/dbraw/zinc/89/04/26/585890426.db2.gz KZKKXCQXDRQIIP-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO O=C(NC1=NCCS1)[C@H]1CCC[N@H+]1C1CC1 ZINC000786733988 585896813 /nfs/dbraw/zinc/89/68/13/585896813.db2.gz DILUXVYGCFVJFD-SECBINFHSA-N 1 2 239.344 0.832 20 0 BCADLO C[C@H](O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786822116 585897879 /nfs/dbraw/zinc/89/78/79/585897879.db2.gz ZXWRJHSEHITOOX-VHSXEESVSA-N 1 2 239.319 0.795 20 0 BCADLO COCCN1CCC[N@H+](CCF)CC1=O ZINC000787363439 585907794 /nfs/dbraw/zinc/90/77/94/585907794.db2.gz MAGCPIUIGFWHAU-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO COCCN1CCC[N@@H+](CCF)CC1=O ZINC000787363439 585907795 /nfs/dbraw/zinc/90/77/95/585907795.db2.gz MAGCPIUIGFWHAU-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000787761578 585915456 /nfs/dbraw/zinc/91/54/56/585915456.db2.gz KTSRGUZXPSTSBO-VWYCJHECSA-N 1 2 238.335 0.779 20 0 BCADLO C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000787761578 585915457 /nfs/dbraw/zinc/91/54/57/585915457.db2.gz KTSRGUZXPSTSBO-VWYCJHECSA-N 1 2 238.335 0.779 20 0 BCADLO CC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000787959693 585917897 /nfs/dbraw/zinc/91/78/97/585917897.db2.gz GNNJFVJDFSOCQY-VIFPVBQESA-N 1 2 201.266 0.705 20 0 BCADLO COC(C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)OC ZINC000787993112 585918335 /nfs/dbraw/zinc/91/83/35/585918335.db2.gz XHBXGYBRVOPBGF-JTQLQIEISA-N 1 2 243.303 0.285 20 0 BCADLO COC(C[N@H+]1CCO[C@H](C(=O)C2CC2)C1)OC ZINC000787993112 585918336 /nfs/dbraw/zinc/91/83/36/585918336.db2.gz XHBXGYBRVOPBGF-JTQLQIEISA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000788276235 585919992 /nfs/dbraw/zinc/91/99/92/585919992.db2.gz UKDINCOZVJMTCH-CYNRKNSPSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000788276235 585919993 /nfs/dbraw/zinc/91/99/93/585919993.db2.gz UKDINCOZVJMTCH-CYNRKNSPSA-N 1 2 240.303 0.316 20 0 BCADLO NC(=[NH+]OCc1ccno1)[C@@H]1CCCO1 ZINC000789605061 585945833 /nfs/dbraw/zinc/94/58/33/585945833.db2.gz DOYKFQXTLNXCBI-QMMMGPOBSA-N 1 2 211.221 0.852 20 0 BCADLO CC(C)OC[C@H](O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789607835 585946311 /nfs/dbraw/zinc/94/63/11/585946311.db2.gz IGVOFSJZKOLOJK-VHSXEESVSA-N 1 2 246.307 0.450 20 0 BCADLO CO[C@H](C)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789608890 585946467 /nfs/dbraw/zinc/94/64/67/585946467.db2.gz FZAODZKYJZUQRR-SFYZADRCSA-N 1 2 202.254 0.699 20 0 BCADLO Cn1nccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612907 585946482 /nfs/dbraw/zinc/94/64/82/585946482.db2.gz RJZISTZVWXYQOH-VIFPVBQESA-N 1 2 224.264 0.598 20 0 BCADLO Cn1ccc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789609819 585946597 /nfs/dbraw/zinc/94/65/97/585946597.db2.gz HKTOSYRROVLSET-SECBINFHSA-N 1 2 224.264 0.598 20 0 BCADLO CCN(CC)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613354 585946815 /nfs/dbraw/zinc/94/68/15/585946815.db2.gz WMCFQDNBVRQMKN-VIFPVBQESA-N 1 2 243.307 0.532 20 0 BCADLO CN1CCC[C@@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000789625999 585947330 /nfs/dbraw/zinc/94/73/30/585947330.db2.gz BODDERPXEZDGPB-RKDXNWHRSA-N 1 2 241.291 0.285 20 0 BCADLO Cn1cc(C(=O)OCCCc2[nH+]ccn2C)cn1 ZINC000789790791 585949960 /nfs/dbraw/zinc/94/99/60/585949960.db2.gz BIJWAQLBNPFEII-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NN1CCCNC1=O ZINC000789843339 585951339 /nfs/dbraw/zinc/95/13/39/585951339.db2.gz IHLQMAXCOYYDFU-UHFFFAOYSA-N 1 2 249.274 0.264 20 0 BCADLO CCC[NH+]1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC000789929188 585954186 /nfs/dbraw/zinc/95/41/86/585954186.db2.gz ZHVQSBBSNCUZAC-UHFFFAOYSA-N 1 2 237.307 0.281 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1n[nH]nc1C ZINC000789965882 585954619 /nfs/dbraw/zinc/95/46/19/585954619.db2.gz KHXDWVNPBZVKBA-UHFFFAOYSA-N 1 2 233.231 0.769 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC000790002953 585956003 /nfs/dbraw/zinc/95/60/03/585956003.db2.gz QFUPXEZJICMWBD-MRVPVSSYSA-N 1 2 237.307 0.279 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC000790002953 585956004 /nfs/dbraw/zinc/95/60/04/585956004.db2.gz QFUPXEZJICMWBD-MRVPVSSYSA-N 1 2 237.307 0.279 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000790009773 585956051 /nfs/dbraw/zinc/95/60/51/585956051.db2.gz NBMWSVIWQSCGQY-HTQZYQBOSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000790009773 585956052 /nfs/dbraw/zinc/95/60/52/585956052.db2.gz NBMWSVIWQSCGQY-HTQZYQBOSA-N 1 2 237.307 0.278 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(F)F ZINC000790136301 585958559 /nfs/dbraw/zinc/95/85/59/585958559.db2.gz PXNJVNKXQHXYJE-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO CC(=O)N(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791693792 585986377 /nfs/dbraw/zinc/98/63/77/585986377.db2.gz ITLZEVDHOXVKKI-UHFFFAOYSA-N 1 2 237.259 0.185 20 0 BCADLO CC(C)[C@H](NC=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000859278024 589027092 /nfs/dbraw/zinc/02/70/92/589027092.db2.gz IGUNHCNZEVHITL-JTQLQIEISA-N 1 2 238.291 0.139 20 0 BCADLO C[C@H](O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000791883431 585990133 /nfs/dbraw/zinc/99/01/33/585990133.db2.gz JBYMWSYKQRPSBU-QMMMGPOBSA-N 1 2 220.228 0.872 20 0 BCADLO Nc1cc(COC(=O)Cc2cc[nH]n2)cc[nH+]1 ZINC000792120237 585995982 /nfs/dbraw/zinc/99/59/82/585995982.db2.gz NQHZFNAZBZCCKU-UHFFFAOYSA-N 1 2 232.243 0.673 20 0 BCADLO CN1CC[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1=O ZINC000792151299 585996654 /nfs/dbraw/zinc/99/66/54/585996654.db2.gz OSHYWUWRRKOMNP-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO CC(=O)N1CC(C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792168212 585996953 /nfs/dbraw/zinc/99/69/53/585996953.db2.gz BXDIWCZIWCDYSK-UHFFFAOYSA-N 1 2 249.270 0.185 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)CC1(F)CC1 ZINC000792837607 586005779 /nfs/dbraw/zinc/00/57/79/586005779.db2.gz DUCOEICBSBZXHH-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)CC1(F)CC1 ZINC000792837607 586005780 /nfs/dbraw/zinc/00/57/80/586005780.db2.gz DUCOEICBSBZXHH-UHFFFAOYSA-N 1 2 223.313 0.855 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C[C@H]1CCOC1 ZINC000793250441 586014978 /nfs/dbraw/zinc/01/49/78/586014978.db2.gz NPMSSTGXUVWUBW-SNVBAGLBSA-N 1 2 238.287 0.932 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)C1=CCOCC1 ZINC000793249471 586015047 /nfs/dbraw/zinc/01/50/47/586015047.db2.gz HXRQFYLRJIBFAE-UHFFFAOYSA-N 1 2 236.271 0.853 20 0 BCADLO Cc1nccc(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000793252142 586015081 /nfs/dbraw/zinc/01/50/81/586015081.db2.gz WFXUTIGLPVTVPA-UHFFFAOYSA-N 1 2 246.270 0.918 20 0 BCADLO CC[C@@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000793251805 586015142 /nfs/dbraw/zinc/01/51/42/586015142.db2.gz AEZWCWPZQRPBSP-SNVBAGLBSA-N 1 2 226.276 0.931 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cncnc1 ZINC000793248711 586015183 /nfs/dbraw/zinc/01/51/83/586015183.db2.gz BQACGNPWYJZORW-UHFFFAOYSA-N 1 2 232.243 0.610 20 0 BCADLO COC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000793252811 586015192 /nfs/dbraw/zinc/01/51/92/586015192.db2.gz RMMUKIUSBQJUJJ-UHFFFAOYSA-N 1 2 226.276 0.931 20 0 BCADLO O=C(C[C@H]1CCCOC1)NCc1c[nH+]c[nH]1 ZINC000793537799 586022187 /nfs/dbraw/zinc/02/21/87/586022187.db2.gz NTINWCIGXNGZFD-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO O=C(C[C@H]1CCCOC1)NCc1c[nH]c[nH+]1 ZINC000793537799 586022188 /nfs/dbraw/zinc/02/21/88/586022188.db2.gz NTINWCIGXNGZFD-SECBINFHSA-N 1 2 223.276 0.843 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000793659546 586024768 /nfs/dbraw/zinc/02/47/68/586024768.db2.gz BUBQHXPQKCEQEP-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000793659546 586024769 /nfs/dbraw/zinc/02/47/69/586024769.db2.gz BUBQHXPQKCEQEP-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NOCC(F)F ZINC000793816868 586027135 /nfs/dbraw/zinc/02/71/35/586027135.db2.gz ZQYHGIIMMYUUHC-UHFFFAOYSA-N 1 2 219.191 0.655 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NOCC(F)F ZINC000793816868 586027136 /nfs/dbraw/zinc/02/71/36/586027136.db2.gz ZQYHGIIMMYUUHC-UHFFFAOYSA-N 1 2 219.191 0.655 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000794449810 586039902 /nfs/dbraw/zinc/03/99/02/586039902.db2.gz NRANDKWABBMJOO-MRVPVSSYSA-N 1 2 209.297 0.249 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000794449810 586039903 /nfs/dbraw/zinc/03/99/03/586039903.db2.gz NRANDKWABBMJOO-MRVPVSSYSA-N 1 2 209.297 0.249 20 0 BCADLO CC[C@@](C)([NH2+]CC[C@H]1CCOC1=O)C(=O)OC ZINC000794454347 586040165 /nfs/dbraw/zinc/04/01/65/586040165.db2.gz XJUUSPFQQGBYSR-JOYOIKCWSA-N 1 2 243.303 0.871 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000794513254 586041030 /nfs/dbraw/zinc/04/10/30/586041030.db2.gz LDIVLMJUWQZYTO-SKDRFNHKSA-N 1 2 236.319 0.742 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000794513254 586041031 /nfs/dbraw/zinc/04/10/31/586041031.db2.gz LDIVLMJUWQZYTO-SKDRFNHKSA-N 1 2 236.319 0.742 20 0 BCADLO CC(C)OCC(N)=[NH+]O[C@H]1CCOC1 ZINC000794518697 586041329 /nfs/dbraw/zinc/04/13/29/586041329.db2.gz BJAFDXCPHHKMGH-QMMMGPOBSA-N 1 2 202.254 0.699 20 0 BCADLO NC(C[NH+]1CCSCC1)=NO[C@@H]1CCOC1 ZINC000794521421 586041674 /nfs/dbraw/zinc/04/16/74/586041674.db2.gz LNPHTEBFEATFIY-SECBINFHSA-N 1 2 245.348 0.323 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794965136 586058762 /nfs/dbraw/zinc/05/87/62/586058762.db2.gz ZTKLUWCCKIWZCS-QCLAVDOMSA-N 1 2 241.287 0.289 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794965136 586058764 /nfs/dbraw/zinc/05/87/64/586058764.db2.gz ZTKLUWCCKIWZCS-QCLAVDOMSA-N 1 2 241.287 0.289 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccon3)C[C@@H]21 ZINC000794967300 586059110 /nfs/dbraw/zinc/05/91/10/586059110.db2.gz KDMPTMGCGNTFBJ-MYJAWHEDSA-N 1 2 222.244 0.525 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccon3)C[C@@H]21 ZINC000794967300 586059112 /nfs/dbraw/zinc/05/91/12/586059112.db2.gz KDMPTMGCGNTFBJ-MYJAWHEDSA-N 1 2 222.244 0.525 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@H](C(F)F)C2)nn1 ZINC000859296141 589028950 /nfs/dbraw/zinc/02/89/50/589028950.db2.gz CDTAQMSWUHKEBB-VIFPVBQESA-N 1 2 246.261 0.324 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@H](C(F)F)C2)nn1 ZINC000859296141 589028951 /nfs/dbraw/zinc/02/89/51/589028951.db2.gz CDTAQMSWUHKEBB-VIFPVBQESA-N 1 2 246.261 0.324 20 0 BCADLO Cc1nnc(COC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC000795417978 586078091 /nfs/dbraw/zinc/07/80/91/586078091.db2.gz PPZWZINGEOLWKG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nnc(COC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC000795417978 586078092 /nfs/dbraw/zinc/07/80/92/586078092.db2.gz PPZWZINGEOLWKG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nc(COC(=O)[C@H]2CCCC[N@H+]2C)n[nH]1 ZINC000795417978 586078093 /nfs/dbraw/zinc/07/80/93/586078093.db2.gz PPZWZINGEOLWKG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nc(COC(=O)[C@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000795417978 586078094 /nfs/dbraw/zinc/07/80/94/586078094.db2.gz PPZWZINGEOLWKG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO CO[C@H]1CC[N@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795441113 586079120 /nfs/dbraw/zinc/07/91/20/586079120.db2.gz VRNLRECUKIXCJN-IUCAKERBSA-N 1 2 248.273 0.778 20 0 BCADLO CO[C@H]1CC[N@@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795441113 586079122 /nfs/dbraw/zinc/07/91/22/586079122.db2.gz VRNLRECUKIXCJN-IUCAKERBSA-N 1 2 248.273 0.778 20 0 BCADLO C[C@@]1([NH2+]CCOC2CCOCC2)CCOC1=O ZINC000859309284 589029826 /nfs/dbraw/zinc/02/98/26/589029826.db2.gz KEQRYLQXZWXDCR-GFCCVEGCSA-N 1 2 243.303 0.477 20 0 BCADLO Cn1cnn(C[NH+]2CCC3(CCC3)CC2)c1=O ZINC000795714800 586091456 /nfs/dbraw/zinc/09/14/56/586091456.db2.gz UDKTWJXJTGCDMF-UHFFFAOYSA-N 1 2 236.319 0.805 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796339898 586101224 /nfs/dbraw/zinc/10/12/24/586101224.db2.gz AOVKFPGPUGSRDA-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796339898 586101225 /nfs/dbraw/zinc/10/12/25/586101225.db2.gz AOVKFPGPUGSRDA-WDEREUQCSA-N 1 2 243.303 0.239 20 0 BCADLO CCn1nccc1C[N@H+](CCO)CCF ZINC000796468171 586104359 /nfs/dbraw/zinc/10/43/59/586104359.db2.gz LNYGYVJTJLAZLR-UHFFFAOYSA-N 1 2 215.272 0.667 20 0 BCADLO CCn1nccc1C[N@@H+](CCO)CCF ZINC000796468171 586104360 /nfs/dbraw/zinc/10/43/60/586104360.db2.gz LNYGYVJTJLAZLR-UHFFFAOYSA-N 1 2 215.272 0.667 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)[C@H](C)C(=O)OC ZINC000796492912 586105015 /nfs/dbraw/zinc/10/50/15/586105015.db2.gz QRVWNZTUIVZKSP-JGAIRUGNSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)[C@H](C)C(=O)OC ZINC000796492912 586105016 /nfs/dbraw/zinc/10/50/16/586105016.db2.gz QRVWNZTUIVZKSP-JGAIRUGNSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)[C@H](C)C(=O)OC ZINC000796492412 586105109 /nfs/dbraw/zinc/10/51/09/586105109.db2.gz QRVWNZTUIVZKSP-BNICOGTQSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)[C@H](C)C(=O)OC ZINC000796492412 586105110 /nfs/dbraw/zinc/10/51/10/586105110.db2.gz QRVWNZTUIVZKSP-BNICOGTQSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC1OCCO1 ZINC000796509178 586105355 /nfs/dbraw/zinc/10/53/55/586105355.db2.gz BPOBZUICIMXFOB-IUCAKERBSA-N 1 2 247.266 0.335 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC1OCCO1 ZINC000796509178 586105356 /nfs/dbraw/zinc/10/53/56/586105356.db2.gz BPOBZUICIMXFOB-IUCAKERBSA-N 1 2 247.266 0.335 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)C1(CO)CC1 ZINC000796501784 586105584 /nfs/dbraw/zinc/10/55/84/586105584.db2.gz QAKLECSIFDWKHS-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000796501784 586105585 /nfs/dbraw/zinc/10/55/85/586105585.db2.gz QAKLECSIFDWKHS-UHFFFAOYSA-N 1 2 235.349 0.266 20 0 BCADLO Cc1nonc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000796580761 586107451 /nfs/dbraw/zinc/10/74/51/586107451.db2.gz SIKWPXFIBXHLGL-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO Cc1nonc1C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000796580761 586107452 /nfs/dbraw/zinc/10/74/52/586107452.db2.gz SIKWPXFIBXHLGL-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000796609335 586108180 /nfs/dbraw/zinc/10/81/80/586108180.db2.gz QCCQZDQJKAVTTE-IUCAKERBSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000796609335 586108181 /nfs/dbraw/zinc/10/81/81/586108181.db2.gz QCCQZDQJKAVTTE-IUCAKERBSA-N 1 2 241.287 0.575 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+]2CC2OCCO2)n1 ZINC000796695947 586110354 /nfs/dbraw/zinc/11/03/54/586110354.db2.gz QTSHTPJXMDOHSY-VIFPVBQESA-N 1 2 239.275 0.888 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+]2CC2OCCO2)n1 ZINC000796695947 586110355 /nfs/dbraw/zinc/11/03/55/586110355.db2.gz QTSHTPJXMDOHSY-VIFPVBQESA-N 1 2 239.275 0.888 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCc1cncnc1 ZINC000796943815 586117643 /nfs/dbraw/zinc/11/76/43/586117643.db2.gz VMKPUBZHMAZWRH-UHFFFAOYSA-N 1 2 246.270 0.886 20 0 BCADLO COC(=O)c1cn(C[N@@H+]2CCC=C(C)C2)nn1 ZINC000797822918 586132317 /nfs/dbraw/zinc/13/23/17/586132317.db2.gz VAIUPEPOWDNUHD-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO COC(=O)c1cn(C[N@H+]2CCC=C(C)C2)nn1 ZINC000797822918 586132318 /nfs/dbraw/zinc/13/23/18/586132318.db2.gz VAIUPEPOWDNUHD-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000798193112 586138853 /nfs/dbraw/zinc/13/88/53/586138853.db2.gz HXZLMNQDJCLMFR-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000798193112 586138854 /nfs/dbraw/zinc/13/88/54/586138854.db2.gz HXZLMNQDJCLMFR-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@](C)=O)[C@@H](C)CO1 ZINC000798192324 586139177 /nfs/dbraw/zinc/13/91/77/586139177.db2.gz BZWAQHBKJMYDMT-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)[C@@H](C)CO1 ZINC000798192324 586139178 /nfs/dbraw/zinc/13/91/78/586139178.db2.gz BZWAQHBKJMYDMT-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000798193423 586139707 /nfs/dbraw/zinc/13/97/07/586139707.db2.gz LOZQUSUVFKNZAO-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOC(C)(C)C1 ZINC000798193423 586139708 /nfs/dbraw/zinc/13/97/08/586139708.db2.gz LOZQUSUVFKNZAO-CYBMUJFWSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOCC12CCC2 ZINC000798198085 586140534 /nfs/dbraw/zinc/14/05/34/586140534.db2.gz YQZXSYDLNLWGNA-AWEZNQCLSA-N 1 2 217.334 0.620 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOCC12CCC2 ZINC000798198085 586140535 /nfs/dbraw/zinc/14/05/35/586140535.db2.gz YQZXSYDLNLWGNA-AWEZNQCLSA-N 1 2 217.334 0.620 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859314258 589030816 /nfs/dbraw/zinc/03/08/16/589030816.db2.gz HYVMVKIJICDZQH-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859314258 589030818 /nfs/dbraw/zinc/03/08/18/589030818.db2.gz HYVMVKIJICDZQH-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H](C)O1 ZINC000799121592 586159096 /nfs/dbraw/zinc/15/90/96/586159096.db2.gz APBRGWBYBIUNJN-BBBLOLIVSA-N 1 2 240.303 0.291 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H](C)O1 ZINC000799121592 586159097 /nfs/dbraw/zinc/15/90/97/586159097.db2.gz APBRGWBYBIUNJN-BBBLOLIVSA-N 1 2 240.303 0.291 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799146027 586162060 /nfs/dbraw/zinc/16/20/60/586162060.db2.gz VUJDZMLIFLGKHZ-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000799146027 586162062 /nfs/dbraw/zinc/16/20/62/586162062.db2.gz VUJDZMLIFLGKHZ-UWVGGRQHSA-N 1 2 240.303 0.293 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1F ZINC000799159845 586162643 /nfs/dbraw/zinc/16/26/43/586162643.db2.gz BVUXKFXNSXQPSG-HLTSFMKQSA-N 1 2 228.267 0.472 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1F ZINC000799159845 586162644 /nfs/dbraw/zinc/16/26/44/586162644.db2.gz BVUXKFXNSXQPSG-HLTSFMKQSA-N 1 2 228.267 0.472 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1F ZINC000799159847 586162674 /nfs/dbraw/zinc/16/26/74/586162674.db2.gz BVUXKFXNSXQPSG-HRDYMLBCSA-N 1 2 228.267 0.472 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1F ZINC000799159847 586162675 /nfs/dbraw/zinc/16/26/75/586162675.db2.gz BVUXKFXNSXQPSG-HRDYMLBCSA-N 1 2 228.267 0.472 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799166969 586163577 /nfs/dbraw/zinc/16/35/77/586163577.db2.gz LQXGFLROJBJWJN-BXKDBHETSA-N 1 2 240.303 0.293 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000799166969 586163580 /nfs/dbraw/zinc/16/35/80/586163580.db2.gz LQXGFLROJBJWJN-BXKDBHETSA-N 1 2 240.303 0.293 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000799324798 586171601 /nfs/dbraw/zinc/17/16/01/586171601.db2.gz MAFKEGCQJGIWIO-JTQLQIEISA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000799324798 586171602 /nfs/dbraw/zinc/17/16/02/586171602.db2.gz MAFKEGCQJGIWIO-JTQLQIEISA-N 1 2 244.302 0.595 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(F)cn1 ZINC000799324524 586171755 /nfs/dbraw/zinc/17/17/55/586171755.db2.gz SYIXIUMYIHRLEH-BXKDBHETSA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(F)cn1 ZINC000799324524 586171758 /nfs/dbraw/zinc/17/17/58/586171758.db2.gz SYIXIUMYIHRLEH-BXKDBHETSA-N 1 2 240.278 0.975 20 0 BCADLO CC[N@@H+](CC(N)=O)C[C@@H](O)c1ccc(F)cn1 ZINC000799323735 586171817 /nfs/dbraw/zinc/17/18/17/586171817.db2.gz ZPQGGWGIOZALTB-SNVBAGLBSA-N 1 2 241.266 0.061 20 0 BCADLO CC[N@H+](CC(N)=O)C[C@@H](O)c1ccc(F)cn1 ZINC000799323735 586171818 /nfs/dbraw/zinc/17/18/18/586171818.db2.gz ZPQGGWGIOZALTB-SNVBAGLBSA-N 1 2 241.266 0.061 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)OCC1CC1 ZINC000859335895 589032647 /nfs/dbraw/zinc/03/26/47/589032647.db2.gz IJUIVEAHPUKDQY-SNVBAGLBSA-N 1 2 228.292 0.453 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)OCC1CC1 ZINC000859335895 589032650 /nfs/dbraw/zinc/03/26/50/589032650.db2.gz IJUIVEAHPUKDQY-SNVBAGLBSA-N 1 2 228.292 0.453 20 0 BCADLO COC1(C)C[NH+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000799616418 586186123 /nfs/dbraw/zinc/18/61/23/586186123.db2.gz DFLLGIGTXZQMIU-NSHDSACASA-N 1 2 240.278 0.975 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)CC(=O)N1C ZINC000800479604 586222310 /nfs/dbraw/zinc/22/23/10/586222310.db2.gz HIRXUUBVFATREA-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)CC(=O)N1C ZINC000800479604 586222312 /nfs/dbraw/zinc/22/23/12/586222312.db2.gz HIRXUUBVFATREA-NXEZZACHSA-N 1 2 240.303 0.102 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561669 586261488 /nfs/dbraw/zinc/26/14/88/586261488.db2.gz SJQSLJZLCFPXET-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561669 586261489 /nfs/dbraw/zinc/26/14/89/586261489.db2.gz SJQSLJZLCFPXET-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559582 586262479 /nfs/dbraw/zinc/26/24/79/586262479.db2.gz CJXCQKUMHCGXOF-HTQZYQBOSA-N 1 2 209.236 0.987 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559582 586262482 /nfs/dbraw/zinc/26/24/82/586262482.db2.gz CJXCQKUMHCGXOF-HTQZYQBOSA-N 1 2 209.236 0.987 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@H](C(F)F)C1 ZINC000801562870 586263189 /nfs/dbraw/zinc/26/31/89/586263189.db2.gz GZKIRMKYSQWHNR-VIFPVBQESA-N 1 2 231.246 0.886 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562854 586263258 /nfs/dbraw/zinc/26/32/58/586263258.db2.gz GWUNABNHCJNHKT-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562854 586263259 /nfs/dbraw/zinc/26/32/59/586263259.db2.gz GWUNABNHCJNHKT-BDAKNGLRSA-N 1 2 239.262 0.350 20 0 BCADLO CCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564403 586263355 /nfs/dbraw/zinc/26/33/55/586263355.db2.gz MRRLQIQBXHXISV-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO CCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564403 586263357 /nfs/dbraw/zinc/26/33/57/586263357.db2.gz MRRLQIQBXHXISV-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO FC(F)[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000801564063 586263476 /nfs/dbraw/zinc/26/34/76/586263476.db2.gz WTVCRSTYTHJFOS-QMMMGPOBSA-N 1 2 232.234 0.244 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000801564063 586263479 /nfs/dbraw/zinc/26/34/79/586263479.db2.gz WTVCRSTYTHJFOS-QMMMGPOBSA-N 1 2 232.234 0.244 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@@H](C(F)F)C2)cn1 ZINC000801564946 586263850 /nfs/dbraw/zinc/26/38/50/586263850.db2.gz VCZZQBYFDJGAOR-SNVBAGLBSA-N 1 2 245.273 0.929 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@@H](C(F)F)C2)cn1 ZINC000801564946 586263852 /nfs/dbraw/zinc/26/38/52/586263852.db2.gz VCZZQBYFDJGAOR-SNVBAGLBSA-N 1 2 245.273 0.929 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000839951351 586286047 /nfs/dbraw/zinc/28/60/47/586286047.db2.gz VZBSOGWISWJGBK-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000839951351 586286049 /nfs/dbraw/zinc/28/60/49/586286049.db2.gz VZBSOGWISWJGBK-MXWKQRLJSA-N 1 2 226.320 0.922 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802012752 586286354 /nfs/dbraw/zinc/28/63/54/586286354.db2.gz WPYGELHUHMEDIT-QSADENFPSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@@](F)(CO)C1 ZINC000802012752 586286356 /nfs/dbraw/zinc/28/63/56/586286356.db2.gz WPYGELHUHMEDIT-QSADENFPSA-N 1 2 231.267 0.512 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCn1ccnn1 ZINC000802098396 586289144 /nfs/dbraw/zinc/28/91/44/586289144.db2.gz ORUCJYZXIZZZRP-UHFFFAOYSA-N 1 2 235.247 0.145 20 0 BCADLO C[N@H+](CN1C(=O)CC2(CCC2)C1=O)C1CC1 ZINC000839960479 586300516 /nfs/dbraw/zinc/30/05/16/586300516.db2.gz QAFNYQZNLQIJLU-UHFFFAOYSA-N 1 2 222.288 0.967 20 0 BCADLO C[N@@H+](CN1C(=O)CC2(CCC2)C1=O)C1CC1 ZINC000839960479 586300519 /nfs/dbraw/zinc/30/05/19/586300519.db2.gz QAFNYQZNLQIJLU-UHFFFAOYSA-N 1 2 222.288 0.967 20 0 BCADLO O=C(CC1OCCO1)OCCn1cc[nH+]c1 ZINC000802815290 586316108 /nfs/dbraw/zinc/31/61/08/586316108.db2.gz SFLHBRDKIRNAGG-UHFFFAOYSA-N 1 2 226.232 0.189 20 0 BCADLO Cn1ncc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000802972851 586327520 /nfs/dbraw/zinc/32/75/20/586327520.db2.gz BDGOUXXRWBKVAP-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO Cn1ncc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000802972851 586327523 /nfs/dbraw/zinc/32/75/23/586327523.db2.gz BDGOUXXRWBKVAP-JTQLQIEISA-N 1 2 238.291 0.343 20 0 BCADLO C[C@@H]1CC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000839986873 586331227 /nfs/dbraw/zinc/33/12/27/586331227.db2.gz XQPNNDPGZIPUGV-MRVPVSSYSA-N 1 2 246.270 0.372 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000839986873 586331229 /nfs/dbraw/zinc/33/12/29/586331229.db2.gz XQPNNDPGZIPUGV-MRVPVSSYSA-N 1 2 246.270 0.372 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)C1=O ZINC000840028621 586384254 /nfs/dbraw/zinc/38/42/54/586384254.db2.gz PFDQMBQTEALQMY-VWYCJHECSA-N 1 2 226.320 0.922 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@@H](C)[C@@H]2C)C1=O ZINC000840028621 586384256 /nfs/dbraw/zinc/38/42/56/586384256.db2.gz PFDQMBQTEALQMY-VWYCJHECSA-N 1 2 226.320 0.922 20 0 BCADLO COc1nc(C(=O)N2CC[N@H+](C)[C@H](C)C2)co1 ZINC000859622630 589049819 /nfs/dbraw/zinc/04/98/19/589049819.db2.gz ARRYHEYQUWNQOT-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO COc1nc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)co1 ZINC000859622630 589049821 /nfs/dbraw/zinc/04/98/21/589049821.db2.gz ARRYHEYQUWNQOT-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000804584948 586401608 /nfs/dbraw/zinc/40/16/08/586401608.db2.gz SNHALTHIINSDLH-SNVBAGLBSA-N 1 2 244.335 0.753 20 0 BCADLO CON(CC(C)(C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000804584948 586401611 /nfs/dbraw/zinc/40/16/11/586401611.db2.gz SNHALTHIINSDLH-SNVBAGLBSA-N 1 2 244.335 0.753 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](O)c1ccco1 ZINC000806445977 586412469 /nfs/dbraw/zinc/41/24/69/586412469.db2.gz JJJIKEOXILRIMC-VIFPVBQESA-N 1 2 249.270 0.785 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](O)c1ccco1 ZINC000806445976 586412502 /nfs/dbraw/zinc/41/25/02/586412502.db2.gz JJJIKEOXILRIMC-SECBINFHSA-N 1 2 249.270 0.785 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NOCC(N)=O ZINC000806537699 586414164 /nfs/dbraw/zinc/41/41/64/586414164.db2.gz TWCMJXGKPGBFJA-UHFFFAOYSA-N 1 2 238.247 0.237 20 0 BCADLO C[C@H]1C(=O)N(CN2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000840076104 586418178 /nfs/dbraw/zinc/41/81/78/586418178.db2.gz OJQKZKJHAAHSMQ-GHMZBOCLSA-N 1 2 248.330 0.771 20 0 BCADLO CO[C@H](C)C[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840081288 586421735 /nfs/dbraw/zinc/42/17/35/586421735.db2.gz RZKAQPJLNAMPHB-SNVBAGLBSA-N 1 2 249.314 0.962 20 0 BCADLO CO[C@H](C)C[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840081288 586421737 /nfs/dbraw/zinc/42/17/37/586421737.db2.gz RZKAQPJLNAMPHB-SNVBAGLBSA-N 1 2 249.314 0.962 20 0 BCADLO COCCONC(=O)CCc1[nH]cc[nH+]1 ZINC000807008057 586422181 /nfs/dbraw/zinc/42/21/81/586422181.db2.gz WCQKHXCVALTYFV-UHFFFAOYSA-N 1 2 213.237 0.037 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000807108345 586423694 /nfs/dbraw/zinc/42/36/94/586423694.db2.gz VFBBHIYZZNEQQS-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CCOCCONC(=O)Cc1c[nH+]cn1C ZINC000807268631 586431324 /nfs/dbraw/zinc/43/13/24/586431324.db2.gz RJYKPBMMOGHETK-UHFFFAOYSA-N 1 2 227.264 0.047 20 0 BCADLO F[C@H]1CC[N@H+](CN2CCOC2=S)C1 ZINC000840105536 586447421 /nfs/dbraw/zinc/44/74/21/586447421.db2.gz ZATMBFAUYRYVMU-ZETCQYMHSA-N 1 2 204.270 0.605 20 0 BCADLO F[C@H]1CC[N@@H+](CN2CCOC2=S)C1 ZINC000840105536 586447423 /nfs/dbraw/zinc/44/74/23/586447423.db2.gz ZATMBFAUYRYVMU-ZETCQYMHSA-N 1 2 204.270 0.605 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808153534 586464955 /nfs/dbraw/zinc/46/49/55/586464955.db2.gz JZHHUWXCPCYALO-SECBINFHSA-N 1 2 237.307 0.607 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808153534 586464956 /nfs/dbraw/zinc/46/49/56/586464956.db2.gz JZHHUWXCPCYALO-SECBINFHSA-N 1 2 237.307 0.607 20 0 BCADLO C[C@H]1CCC[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808164170 586465821 /nfs/dbraw/zinc/46/58/21/586465821.db2.gz CWDQEUJREJASFV-QMMMGPOBSA-N 1 2 223.280 0.217 20 0 BCADLO C[C@H]1CCC[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808164170 586465822 /nfs/dbraw/zinc/46/58/22/586465822.db2.gz CWDQEUJREJASFV-QMMMGPOBSA-N 1 2 223.280 0.217 20 0 BCADLO COC(=O)c1cc(C[NH2+]Cc2cnn(C)n2)c[nH]1 ZINC000808415396 586471458 /nfs/dbraw/zinc/47/14/58/586471458.db2.gz APPYVUPZLBLELZ-UHFFFAOYSA-N 1 2 249.274 0.220 20 0 BCADLO CN(C)c1ncccc1C[NH2+]Cc1cnn(C)n1 ZINC000808417493 586471608 /nfs/dbraw/zinc/47/16/08/586471608.db2.gz LMTZFDJFKZUKNU-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CC(F)(F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000808466862 586475070 /nfs/dbraw/zinc/47/50/70/586475070.db2.gz OXYNDGQOPBCTJW-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000808718588 586484627 /nfs/dbraw/zinc/48/46/27/586484627.db2.gz WOGIKOKECHLEFN-UHFFFAOYSA-N 1 2 235.349 0.578 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000808718588 586484628 /nfs/dbraw/zinc/48/46/28/586484628.db2.gz WOGIKOKECHLEFN-UHFFFAOYSA-N 1 2 235.349 0.578 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000808732061 586484896 /nfs/dbraw/zinc/48/48/96/586484896.db2.gz AHIIHVUZCNNMJK-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000808732061 586484897 /nfs/dbraw/zinc/48/48/97/586484897.db2.gz AHIIHVUZCNNMJK-UHFFFAOYSA-N 1 2 238.331 0.908 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](CCC(=O)C(C)C)CCO1 ZINC000808744820 586486910 /nfs/dbraw/zinc/48/69/10/586486910.db2.gz APZYRHYYAAWJDQ-NSHDSACASA-N 1 2 242.319 0.048 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)C(C)C)CCO1 ZINC000808744820 586486911 /nfs/dbraw/zinc/48/69/11/586486911.db2.gz APZYRHYYAAWJDQ-NSHDSACASA-N 1 2 242.319 0.048 20 0 BCADLO CON(C)C(=O)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000808746990 586487401 /nfs/dbraw/zinc/48/74/01/586487401.db2.gz WXANHEGVVQIFSI-SSDOTTSWSA-N 1 2 242.279 0.439 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1O ZINC000808750046 586488402 /nfs/dbraw/zinc/48/84/02/586488402.db2.gz FTGILLDMLALHKE-WPRPVWTQSA-N 1 2 228.317 0.318 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000808750046 586488404 /nfs/dbraw/zinc/48/84/04/586488404.db2.gz FTGILLDMLALHKE-WPRPVWTQSA-N 1 2 228.317 0.318 20 0 BCADLO Cn1cnn(C[N@H+](C)C2CC(C)(C)C2)c1=O ZINC000840164001 586502042 /nfs/dbraw/zinc/50/20/42/586502042.db2.gz MFFAHZHONKQXFJ-UHFFFAOYSA-N 1 2 224.308 0.660 20 0 BCADLO Cn1cnn(C[N@@H+](C)C2CC(C)(C)C2)c1=O ZINC000840164001 586502043 /nfs/dbraw/zinc/50/20/43/586502043.db2.gz MFFAHZHONKQXFJ-UHFFFAOYSA-N 1 2 224.308 0.660 20 0 BCADLO Cc1nonc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000809744547 586516493 /nfs/dbraw/zinc/51/64/93/586516493.db2.gz QBDGMHVIZPMXHC-UHFFFAOYSA-N 1 2 246.270 0.767 20 0 BCADLO Cn1ncc(C[NH+]2CCC(c3nnc[nH]3)CC2)n1 ZINC000809954208 586526367 /nfs/dbraw/zinc/52/63/67/586526367.db2.gz WOUZJGZGDHSUHK-UHFFFAOYSA-N 1 2 247.306 0.313 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1cnn(C)n1 ZINC000809954328 586526391 /nfs/dbraw/zinc/52/63/91/586526391.db2.gz SLOKMWMDCLHVRQ-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1cnn(C)n1 ZINC000809954328 586526393 /nfs/dbraw/zinc/52/63/93/586526393.db2.gz SLOKMWMDCLHVRQ-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000809968480 586527253 /nfs/dbraw/zinc/52/72/53/586527253.db2.gz DJFMBBKIPIALSQ-NSHDSACASA-N 1 2 249.318 0.012 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000809968480 586527255 /nfs/dbraw/zinc/52/72/55/586527255.db2.gz DJFMBBKIPIALSQ-NSHDSACASA-N 1 2 249.318 0.012 20 0 BCADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC000809973807 586528053 /nfs/dbraw/zinc/52/80/53/586528053.db2.gz AWCSARWBTJXCAZ-CYBMUJFWSA-N 1 2 246.314 0.947 20 0 BCADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N(C)C ZINC000809996911 586529760 /nfs/dbraw/zinc/52/97/60/586529760.db2.gz MVFDAFVWRQTEBR-VIFPVBQESA-N 1 2 245.323 0.634 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@H](C3CCC3)C2)c1=O ZINC000840190270 586530828 /nfs/dbraw/zinc/53/08/28/586530828.db2.gz VCFLABSFUHSUQL-NSHDSACASA-N 1 2 236.319 0.661 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@H](C3CCC3)C2)c1=O ZINC000840190270 586530829 /nfs/dbraw/zinc/53/08/29/586530829.db2.gz VCFLABSFUHSUQL-NSHDSACASA-N 1 2 236.319 0.661 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1=O ZINC000840190269 586530964 /nfs/dbraw/zinc/53/09/64/586530964.db2.gz VCFLABSFUHSUQL-LLVKDONJSA-N 1 2 236.319 0.661 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@@H](C3CCC3)C2)c1=O ZINC000840190269 586530965 /nfs/dbraw/zinc/53/09/65/586530965.db2.gz VCFLABSFUHSUQL-LLVKDONJSA-N 1 2 236.319 0.661 20 0 BCADLO C[C@H]1CN(CC[NH2+][C@]2(C)CCOC2=O)CCO1 ZINC000810096642 586533922 /nfs/dbraw/zinc/53/39/22/586533922.db2.gz SAZFUKCSTSDTTB-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1c[nH]c(=S)[nH]1 ZINC000811589101 586561716 /nfs/dbraw/zinc/56/17/16/586561716.db2.gz JOLDGWNZODLZAN-UHFFFAOYSA-N 1 2 237.288 0.362 20 0 BCADLO CC(C)NC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712331 586566071 /nfs/dbraw/zinc/56/60/71/586566071.db2.gz PXYCSZWPSUZRDI-UHFFFAOYSA-N 1 2 224.333 0.982 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOCC(F)F ZINC000811913176 586568671 /nfs/dbraw/zinc/56/86/71/586568671.db2.gz MUNBBBIYFQDKPZ-UHFFFAOYSA-N 1 2 234.206 0.416 20 0 BCADLO CONC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811951769 586568713 /nfs/dbraw/zinc/56/87/13/586568713.db2.gz NJZIUNJRVQHNBJ-LURJTMIESA-N 1 2 210.237 0.128 20 0 BCADLO CONC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811951769 586568714 /nfs/dbraw/zinc/56/87/14/586568714.db2.gz NJZIUNJRVQHNBJ-LURJTMIESA-N 1 2 210.237 0.128 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)CO ZINC000812487172 586578042 /nfs/dbraw/zinc/57/80/42/586578042.db2.gz UYDNZGCJPLJQDB-UHFFFAOYSA-N 1 2 240.307 0.238 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1ccnc(CO)c1 ZINC000812541030 586578785 /nfs/dbraw/zinc/57/87/85/586578785.db2.gz ZOGWGPTXMLUKAD-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO CC(C)OCCONC(=O)CCc1[nH]cc[nH+]1 ZINC000812807280 586587110 /nfs/dbraw/zinc/58/71/10/586587110.db2.gz IEGHIFLHEZFEOR-UHFFFAOYSA-N 1 2 241.291 0.815 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812876669 586588212 /nfs/dbraw/zinc/58/82/12/586588212.db2.gz OFXCAOHIQYKICK-SNVBAGLBSA-N 1 2 243.332 0.175 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812876669 586588213 /nfs/dbraw/zinc/58/82/13/586588213.db2.gz OFXCAOHIQYKICK-SNVBAGLBSA-N 1 2 243.332 0.175 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)C[C@@H](C)OC ZINC000812908107 586588772 /nfs/dbraw/zinc/58/87/72/586588772.db2.gz BAKLHXMBVTXGHG-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)C[C@@H](C)OC ZINC000812908107 586588773 /nfs/dbraw/zinc/58/87/73/586588773.db2.gz BAKLHXMBVTXGHG-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]21 ZINC000813621386 586604696 /nfs/dbraw/zinc/60/46/96/586604696.db2.gz ZQNAJOVVWLEIFI-JZYVYDRUSA-N 1 2 233.271 0.640 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3n[nH]cc3C)C[C@@H]21 ZINC000814173304 586615304 /nfs/dbraw/zinc/61/53/04/586615304.db2.gz NDVNFQVTHGEBOW-JZYVYDRUSA-N 1 2 235.287 0.569 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3n[nH]cc3C)C[C@@H]21 ZINC000814173304 586615305 /nfs/dbraw/zinc/61/53/05/586615305.db2.gz NDVNFQVTHGEBOW-JZYVYDRUSA-N 1 2 235.287 0.569 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3[nH]ncc3C)C[C@@H]21 ZINC000814173304 586615306 /nfs/dbraw/zinc/61/53/06/586615306.db2.gz NDVNFQVTHGEBOW-JZYVYDRUSA-N 1 2 235.287 0.569 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3[nH]ncc3C)C[C@@H]21 ZINC000814173304 586615307 /nfs/dbraw/zinc/61/53/07/586615307.db2.gz NDVNFQVTHGEBOW-JZYVYDRUSA-N 1 2 235.287 0.569 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cccc(=O)[nH]1 ZINC000814475718 586622655 /nfs/dbraw/zinc/62/26/55/586622655.db2.gz SIYOQDLXBRLFKY-UHFFFAOYSA-N 1 2 233.227 0.841 20 0 BCADLO CCc1noc(C)c1C[NH2+]Cc1cnn(C)n1 ZINC000815147114 586670492 /nfs/dbraw/zinc/67/04/92/586670492.db2.gz WMTIXBRIPZYTQN-UHFFFAOYSA-N 1 2 235.291 0.964 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(C=O)c[nH]2)CC[N@@H+]1C ZINC000815700357 586692171 /nfs/dbraw/zinc/69/21/71/586692171.db2.gz GEQHMRVSDGUNLH-VIFPVBQESA-N 1 2 235.287 0.603 20 0 BCADLO C[C@H]1CN(C(=O)c2cc(C=O)c[nH]2)CC[N@H+]1C ZINC000815700357 586692173 /nfs/dbraw/zinc/69/21/73/586692173.db2.gz GEQHMRVSDGUNLH-VIFPVBQESA-N 1 2 235.287 0.603 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C[C@@H]1C ZINC000815871089 586695254 /nfs/dbraw/zinc/69/52/54/586695254.db2.gz AMVNJHVKDKJHLB-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cc(C=O)c[nH]2)C[C@@H]1C ZINC000815871089 586695255 /nfs/dbraw/zinc/69/52/55/586695255.db2.gz AMVNJHVKDKJHLB-JTQLQIEISA-N 1 2 249.314 0.993 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924188 586698066 /nfs/dbraw/zinc/69/80/66/586698066.db2.gz QORMLWYRFGJPNB-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000815924188 586698067 /nfs/dbraw/zinc/69/80/67/586698067.db2.gz QORMLWYRFGJPNB-UWVGGRQHSA-N 1 2 249.314 0.992 20 0 BCADLO COC(=O)NCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000816480429 586736302 /nfs/dbraw/zinc/73/63/02/586736302.db2.gz MWHXDKRNRCLDIV-UHFFFAOYSA-N 1 2 248.242 0.629 20 0 BCADLO O=C(C1=COCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000816652022 586752843 /nfs/dbraw/zinc/75/28/43/586752843.db2.gz XEVYLSYTDNTCML-UHFFFAOYSA-N 1 2 235.243 0.183 20 0 BCADLO O=C(C1=COCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000816652022 586752844 /nfs/dbraw/zinc/75/28/44/586752844.db2.gz XEVYLSYTDNTCML-UHFFFAOYSA-N 1 2 235.243 0.183 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1COC(=O)C1 ZINC000816678731 586754990 /nfs/dbraw/zinc/75/49/90/586754990.db2.gz RWGKMEAEFSEVQX-VIFPVBQESA-N 1 2 237.259 0.095 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cc(C=O)c[nH]1 ZINC000816746542 586762399 /nfs/dbraw/zinc/76/23/99/586762399.db2.gz DPFNYHVZTHGTLG-UHFFFAOYSA-N 1 2 232.243 0.491 20 0 BCADLO COC(=O)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816806753 586764712 /nfs/dbraw/zinc/76/47/12/586764712.db2.gz LRXAETQEVGKAIQ-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1nncs1 ZINC000816840355 586767885 /nfs/dbraw/zinc/76/78/85/586767885.db2.gz LJERVPWIIABTEH-UHFFFAOYSA-N 1 2 209.234 0.442 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCCn1cccn1 ZINC000816859308 586769064 /nfs/dbraw/zinc/76/90/64/586769064.db2.gz UBOCRJODFRBPLG-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO C[C@H](O)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816946850 586772395 /nfs/dbraw/zinc/77/23/95/586772395.db2.gz YMBBFUPHYCELCO-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO CCC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816956758 586774417 /nfs/dbraw/zinc/77/44/17/586774417.db2.gz VYFKLFXGXSHDSC-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000816956632 586774616 /nfs/dbraw/zinc/77/46/16/586774616.db2.gz RMAODABQJUPJJW-JTQLQIEISA-N 1 2 235.287 0.590 20 0 BCADLO C[C@]1(C(=O)OCC[NH+]2CCOCC2)CC1(F)F ZINC000817248770 586789867 /nfs/dbraw/zinc/78/98/67/586789867.db2.gz MZCQLXJEHVYNDC-SNVBAGLBSA-N 1 2 249.257 0.907 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000817289340 586793361 /nfs/dbraw/zinc/79/33/61/586793361.db2.gz XHZJWRYHDOKJIB-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000817289340 586793362 /nfs/dbraw/zinc/79/33/62/586793362.db2.gz XHZJWRYHDOKJIB-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO CC1(C[NH+]2CC3(C2)CNC(=O)O3)CCC1 ZINC000817416915 586802546 /nfs/dbraw/zinc/80/25/46/586802546.db2.gz DACMRHLPSCEGBH-UHFFFAOYSA-N 1 2 210.277 0.971 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000817414971 586802601 /nfs/dbraw/zinc/80/26/01/586802601.db2.gz PRLMKAOPCYYFSH-ONGXEEELSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000817414971 586802602 /nfs/dbraw/zinc/80/26/02/586802602.db2.gz PRLMKAOPCYYFSH-ONGXEEELSA-N 1 2 224.308 0.643 20 0 BCADLO CC1(C(=O)NO[C@@H]2CCCCO2)C[NH2+]C1 ZINC000817963499 586854068 /nfs/dbraw/zinc/85/40/68/586854068.db2.gz SMXFGJDURCZFHW-MRVPVSSYSA-N 1 2 214.265 0.170 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818626319 586908107 /nfs/dbraw/zinc/90/81/07/586908107.db2.gz VAMXCPWQDYOLLP-OCAPTIKFSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000818626319 586908108 /nfs/dbraw/zinc/90/81/08/586908108.db2.gz VAMXCPWQDYOLLP-OCAPTIKFSA-N 1 2 237.307 0.278 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000819303549 586949141 /nfs/dbraw/zinc/94/91/41/586949141.db2.gz ZABKYRRKZXTNEU-XOULXFPDSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000819303549 586949143 /nfs/dbraw/zinc/94/91/43/586949143.db2.gz ZABKYRRKZXTNEU-XOULXFPDSA-N 1 2 221.260 0.761 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@H](C)c2ccns2)C1=O ZINC000860058975 589076898 /nfs/dbraw/zinc/07/68/98/589076898.db2.gz QNXNGUFSTZLRBE-HTQZYQBOSA-N 1 2 241.316 0.956 20 0 BCADLO O=C(/C=C\C1CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000819688124 586986184 /nfs/dbraw/zinc/98/61/84/586986184.db2.gz GGSVFWFHDVZIGG-ZFDPJTLLSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(/C=C\C1CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000819688124 586986185 /nfs/dbraw/zinc/98/61/85/586986185.db2.gz GGSVFWFHDVZIGG-ZFDPJTLLSA-N 1 2 249.358 0.459 20 0 BCADLO Cn1nccc1C([NH2+]CCF)c1ccnn1C ZINC000860080964 589080025 /nfs/dbraw/zinc/08/00/25/589080025.db2.gz QQUWYCQBUIGFRW-UHFFFAOYSA-N 1 2 237.282 0.802 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000860181756 589087863 /nfs/dbraw/zinc/08/78/63/589087863.db2.gz UIQRBXKHQOTQLK-LLVKDONJSA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnon1 ZINC000860181756 589087864 /nfs/dbraw/zinc/08/78/64/589087864.db2.gz UIQRBXKHQOTQLK-LLVKDONJSA-N 1 2 238.291 0.560 20 0 BCADLO O=S(=O)(C1CCC1)N1CC[NH+](C2CC2)CC1 ZINC000820787600 587072527 /nfs/dbraw/zinc/07/25/27/587072527.db2.gz CCMXJIHIQISDIG-UHFFFAOYSA-N 1 2 244.360 0.649 20 0 BCADLO CC1(CC(=O)N[C@H]2CCn3cc[nH+]c32)COC1 ZINC000820947528 587083625 /nfs/dbraw/zinc/08/36/25/587083625.db2.gz DROARNVEUICFBY-VIFPVBQESA-N 1 2 235.287 0.871 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820948029 587084161 /nfs/dbraw/zinc/08/41/61/587084161.db2.gz MXBWQKPCDDYKTN-IUCAKERBSA-N 1 2 223.276 0.605 20 0 BCADLO O=C(N[C@H](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820997368 587087207 /nfs/dbraw/zinc/08/72/07/587087207.db2.gz PAOJGRSTQKHMGP-GMTAPVOTSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@H](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820997368 587087209 /nfs/dbraw/zinc/08/72/09/587087209.db2.gz PAOJGRSTQKHMGP-GMTAPVOTSA-N 1 2 249.314 0.790 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)no1 ZINC000860166176 589084981 /nfs/dbraw/zinc/08/49/81/589084981.db2.gz GJYNGSVTIZJRIU-FTLITQJKSA-N 1 2 237.259 0.544 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)no1 ZINC000860166176 589084982 /nfs/dbraw/zinc/08/49/82/589084982.db2.gz GJYNGSVTIZJRIU-FTLITQJKSA-N 1 2 237.259 0.544 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860164762 589085084 /nfs/dbraw/zinc/08/50/84/589085084.db2.gz KIUSWBGSQVCCIR-NXEZZACHSA-N 1 2 233.271 0.390 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860164762 589085085 /nfs/dbraw/zinc/08/50/85/589085085.db2.gz KIUSWBGSQVCCIR-NXEZZACHSA-N 1 2 233.271 0.390 20 0 BCADLO CC(C)ONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821213300 587102155 /nfs/dbraw/zinc/10/21/55/587102155.db2.gz KXLSIKMGLRTPCA-SNAWJCMRSA-N 1 2 209.249 0.890 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000821304865 587105915 /nfs/dbraw/zinc/10/59/15/587105915.db2.gz IOBJTAOMSLMJPL-QMMMGPOBSA-N 1 2 209.249 0.294 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000821304865 587105916 /nfs/dbraw/zinc/10/59/16/587105916.db2.gz IOBJTAOMSLMJPL-QMMMGPOBSA-N 1 2 209.249 0.294 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H](F)[C@@H](F)C2)c1 ZINC000821344853 587109831 /nfs/dbraw/zinc/10/98/31/587109831.db2.gz UNAGVEVUFLYMSP-YHJVAAGRSA-N 1 2 241.241 0.952 20 0 BCADLO CC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)COC1 ZINC000821385215 587115031 /nfs/dbraw/zinc/11/50/31/587115031.db2.gz IUDJHTNKACFAFE-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1cnsn1 ZINC000821423651 587119063 /nfs/dbraw/zinc/11/90/63/587119063.db2.gz KGQLCMPITUNAQA-UHFFFAOYSA-N 1 2 238.276 0.593 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000821515877 587124487 /nfs/dbraw/zinc/12/44/87/587124487.db2.gz JPQPHUPSRGOMDM-AEJSXWLSSA-N 1 2 235.287 0.844 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(C)(CO)C2)c1 ZINC000821719771 587135249 /nfs/dbraw/zinc/13/52/49/587135249.db2.gz CSQULLICEKRIBU-ONEGZZNKSA-N 1 2 235.287 0.274 20 0 BCADLO CON(C)CCNC(=O)Nc1cc[nH+]cc1C ZINC000822278733 587161102 /nfs/dbraw/zinc/16/11/02/587161102.db2.gz ZMUHXUJGNXVGLP-UHFFFAOYSA-N 1 2 238.291 0.427 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(CC2CC2)no1 ZINC000822716847 587182514 /nfs/dbraw/zinc/18/25/14/587182514.db2.gz BUQJYGMMGBOSPY-ZETCQYMHSA-N 1 2 225.248 0.585 20 0 BCADLO CC(=O)NCCC[N@@H+]1Cc2cccnc2C1 ZINC000823000418 587197633 /nfs/dbraw/zinc/19/76/33/587197633.db2.gz AFBUIVVUSCLGDP-UHFFFAOYSA-N 1 2 219.288 0.923 20 0 BCADLO CC(=O)NCCC[N@H+]1Cc2cccnc2C1 ZINC000823000418 587197634 /nfs/dbraw/zinc/19/76/34/587197634.db2.gz AFBUIVVUSCLGDP-UHFFFAOYSA-N 1 2 219.288 0.923 20 0 BCADLO CC1(C(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)CC1 ZINC000823029522 587198678 /nfs/dbraw/zinc/19/86/78/587198678.db2.gz HOXAWQQPMQEBNH-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO CCN(C[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823306036 587215323 /nfs/dbraw/zinc/21/53/23/587215323.db2.gz PKUVUZJHIXWJSA-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CC1(C)COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000823454925 587223584 /nfs/dbraw/zinc/22/35/84/587223584.db2.gz OLYVCTALIQEONG-UHFFFAOYSA-N 1 2 223.276 0.590 20 0 BCADLO O=C(N[C@@H]1CCOC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000823654962 587234561 /nfs/dbraw/zinc/23/45/61/587234561.db2.gz HVAJXOMQVZMUCT-RKDXNWHRSA-N 1 2 236.275 0.416 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CO1 ZINC000823696328 587236856 /nfs/dbraw/zinc/23/68/56/587236856.db2.gz CCKHHUGDXDCARB-QKXNICGJSA-N 1 2 235.287 0.727 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOCC1CCC1 ZINC000824105759 587256064 /nfs/dbraw/zinc/25/60/64/587256064.db2.gz CZQZEDNDNTVLEK-UHFFFAOYSA-N 1 2 238.291 0.951 20 0 BCADLO CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824122185 587256839 /nfs/dbraw/zinc/25/68/39/587256839.db2.gz CUABOZCVSADWDC-GARJFASQSA-N 1 2 243.351 0.818 20 0 BCADLO CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[O-] ZINC000824122185 587256841 /nfs/dbraw/zinc/25/68/41/587256841.db2.gz CUABOZCVSADWDC-GARJFASQSA-N 1 2 243.351 0.818 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[C@H]1O ZINC000824199475 587260232 /nfs/dbraw/zinc/26/02/32/587260232.db2.gz QDRWICKKWHNZTJ-NXEZZACHSA-N 1 2 246.270 0.979 20 0 BCADLO C[C@H](O)CN(C(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000824384374 587268408 /nfs/dbraw/zinc/26/84/08/587268408.db2.gz RUGPBXYDFPVFSM-NWPZZWLHSA-N 1 2 249.314 0.805 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000824389738 587269103 /nfs/dbraw/zinc/26/91/03/587269103.db2.gz RWGQYMHEIYWUBV-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000824389738 587269105 /nfs/dbraw/zinc/26/91/05/587269105.db2.gz RWGQYMHEIYWUBV-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO CON(C)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824451761 587270816 /nfs/dbraw/zinc/27/08/16/587270816.db2.gz VVLNBTDUEGTHLT-SNAWJCMRSA-N 1 2 238.291 0.043 20 0 BCADLO c1[nH+]c2n(c1CN1CCC3(C1)OCCO3)CCC2 ZINC000824702830 587283709 /nfs/dbraw/zinc/28/37/09/587283709.db2.gz SLSHLFGPMATBTR-UHFFFAOYSA-N 1 2 249.314 0.778 20 0 BCADLO C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824802418 587287634 /nfs/dbraw/zinc/28/76/34/587287634.db2.gz KYTWCKNYADGLQX-BBBLOLIVSA-N 1 2 229.324 0.572 20 0 BCADLO C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)NC(=O)[O-] ZINC000824802418 587287635 /nfs/dbraw/zinc/28/76/35/587287635.db2.gz KYTWCKNYADGLQX-BBBLOLIVSA-N 1 2 229.324 0.572 20 0 BCADLO COc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000824848872 587290340 /nfs/dbraw/zinc/29/03/40/587290340.db2.gz BMTMNQQAMDAARQ-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO Cn1c[nH+]c(/C=C\C(=O)NC/C=C\CO)c1 ZINC000824942016 587294206 /nfs/dbraw/zinc/29/42/06/587294206.db2.gz UAONGIDXOLFXKY-LDIADDGTSA-N 1 2 221.260 0.098 20 0 BCADLO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)[O-])C1)[NH+](C)C ZINC000824973753 587295750 /nfs/dbraw/zinc/29/57/50/587295750.db2.gz NMKIUCXZTKVWBX-DTWKUNHWSA-N 1 2 215.297 0.278 20 0 BCADLO C[C@H](C[NH2+]CC1CCN(C(=O)[O-])CC1)[NH+](C)C ZINC000824974198 587296049 /nfs/dbraw/zinc/29/60/49/587296049.db2.gz UXZBGEREVDZRMS-SNVBAGLBSA-N 1 2 243.351 0.916 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)CCO1 ZINC000824985318 587297044 /nfs/dbraw/zinc/29/70/44/587297044.db2.gz VGKLMOPYKGJJGR-MRVPVSSYSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CCO1 ZINC000824985318 587297046 /nfs/dbraw/zinc/29/70/46/587297046.db2.gz VGKLMOPYKGJJGR-MRVPVSSYSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)[NH2+]CCCNC(=O)[O-] ZINC000825056146 587300750 /nfs/dbraw/zinc/30/07/50/587300750.db2.gz OUXLXZNGOORGKF-SECBINFHSA-N 1 2 226.280 0.519 20 0 BCADLO CC[C@H](CO)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825119472 587305723 /nfs/dbraw/zinc/30/57/23/587305723.db2.gz CRJKFGJSCKMWAD-MRVPVSSYSA-N 1 2 248.290 0.753 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000825362150 587316818 /nfs/dbraw/zinc/31/68/18/587316818.db2.gz JLRBOKDZYXPIQL-YWEXBCJCSA-N 1 2 247.298 0.417 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825544916 587324482 /nfs/dbraw/zinc/32/44/82/587324482.db2.gz POEUCHTZAOIVGK-KCJUWKMLSA-N 1 2 225.292 0.758 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000825666904 587330245 /nfs/dbraw/zinc/33/02/45/587330245.db2.gz RJJDJINRDAAYCL-XFWSIPNHSA-N 1 2 243.303 0.725 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000825691782 587332386 /nfs/dbraw/zinc/33/23/86/587332386.db2.gz BJFWPAPCYCLFJN-RYPBNFRJSA-N 1 2 229.276 0.335 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000825691781 587332508 /nfs/dbraw/zinc/33/25/08/587332508.db2.gz BJFWPAPCYCLFJN-RBXMUDONSA-N 1 2 229.276 0.335 20 0 BCADLO CCn1cc[nH+]c1Cn1ccnc1-c1nn[nH]n1 ZINC000825804433 587339587 /nfs/dbraw/zinc/33/95/87/587339587.db2.gz AQJJLPNGOZRTRO-UHFFFAOYSA-N 1 2 244.262 0.328 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852840 587341380 /nfs/dbraw/zinc/34/13/80/587341380.db2.gz RDJRVMAMUXUKLP-VHSXEESVSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852840 587341382 /nfs/dbraw/zinc/34/13/82/587341382.db2.gz RDJRVMAMUXUKLP-VHSXEESVSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852839 587341944 /nfs/dbraw/zinc/34/19/44/587341944.db2.gz RDJRVMAMUXUKLP-UWVGGRQHSA-N 1 2 241.335 0.859 20 0 BCADLO C[C@H]1C[C@H]([NH2+]CCCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852839 587341945 /nfs/dbraw/zinc/34/19/45/587341945.db2.gz RDJRVMAMUXUKLP-UWVGGRQHSA-N 1 2 241.335 0.859 20 0 BCADLO CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000826041266 587348938 /nfs/dbraw/zinc/34/89/38/587348938.db2.gz GQOKACCDNISFQF-MNOVXSKESA-N 1 2 243.351 0.962 20 0 BCADLO CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000826041266 587348939 /nfs/dbraw/zinc/34/89/39/587348939.db2.gz GQOKACCDNISFQF-MNOVXSKESA-N 1 2 243.351 0.962 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046973 587349141 /nfs/dbraw/zinc/34/91/41/587349141.db2.gz AQYZXTPRIOZIFR-ZJUUUORDSA-N 1 2 229.324 0.526 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN(C)C(=O)[O-] ZINC000826046973 587349142 /nfs/dbraw/zinc/34/91/42/587349142.db2.gz AQYZXTPRIOZIFR-ZJUUUORDSA-N 1 2 229.324 0.526 20 0 BCADLO Cc1nc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000826048672 587349387 /nfs/dbraw/zinc/34/93/87/587349387.db2.gz JXPXWRZJKQVGHF-UHFFFAOYSA-N 1 2 206.209 0.017 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049918 587349571 /nfs/dbraw/zinc/34/95/71/587349571.db2.gz PGRRYBHEVZBSQA-KOLCDFICSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000826049918 587349572 /nfs/dbraw/zinc/34/95/72/587349572.db2.gz PGRRYBHEVZBSQA-KOLCDFICSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1C(=O)[O-] ZINC000826050341 587349696 /nfs/dbraw/zinc/34/96/96/587349696.db2.gz WBUQZNJAVPBQHW-GMTAPVOTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1C(=O)[O-] ZINC000826050341 587349697 /nfs/dbraw/zinc/34/96/97/587349697.db2.gz WBUQZNJAVPBQHW-GMTAPVOTSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050469 587349998 /nfs/dbraw/zinc/34/99/98/587349998.db2.gz XMUJVPOIBCSBRL-BDAKNGLRSA-N 1 2 215.297 0.136 20 0 BCADLO CCONC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000826088485 587350661 /nfs/dbraw/zinc/35/06/61/587350661.db2.gz TUPRVLHAUZWNMO-JTQLQIEISA-N 1 2 226.251 0.936 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000826113612 587350964 /nfs/dbraw/zinc/35/09/64/587350964.db2.gz WNNLFOWZAPJEEB-SNVBAGLBSA-N 1 2 225.292 0.967 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000826113612 587350965 /nfs/dbraw/zinc/35/09/65/587350965.db2.gz WNNLFOWZAPJEEB-SNVBAGLBSA-N 1 2 225.292 0.967 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000826113611 587351051 /nfs/dbraw/zinc/35/10/51/587351051.db2.gz WNNLFOWZAPJEEB-JTQLQIEISA-N 1 2 225.292 0.967 20 0 BCADLO CCCCC[C@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000826113611 587351052 /nfs/dbraw/zinc/35/10/52/587351052.db2.gz WNNLFOWZAPJEEB-JTQLQIEISA-N 1 2 225.292 0.967 20 0 BCADLO COCCN(C)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000826157623 587351662 /nfs/dbraw/zinc/35/16/62/587351662.db2.gz DQAQUVICFRFWTE-UHFFFAOYSA-N 1 2 248.290 0.653 20 0 BCADLO Cc1cc[nH+]c(NCC(C)(C)O)c1-c1nn[nH]n1 ZINC000826312787 587352147 /nfs/dbraw/zinc/35/21/47/587352147.db2.gz OPBYFXGZAVXUJE-UHFFFAOYSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(N[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC000826312672 587352479 /nfs/dbraw/zinc/35/24/79/587352479.db2.gz LGYHOKFGAVRNKU-MRVPVSSYSA-N 1 2 246.274 0.771 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)n2C)CC[N@@H+]1C ZINC000826543509 587354563 /nfs/dbraw/zinc/35/45/63/587354563.db2.gz RPQLSNAFGGVCQL-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C=O)n2C)CC[N@H+]1C ZINC000826543509 587354564 /nfs/dbraw/zinc/35/45/64/587354564.db2.gz RPQLSNAFGGVCQL-SNVBAGLBSA-N 1 2 249.314 0.614 20 0 BCADLO CC1=NO[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000826766122 587361721 /nfs/dbraw/zinc/36/17/21/587361721.db2.gz KJXDFDPBQBOJAK-SNVBAGLBSA-N 1 2 219.244 0.915 20 0 BCADLO COCC[N@H+](CCF)Cc1cnccn1 ZINC000827047944 587368869 /nfs/dbraw/zinc/36/88/69/587368869.db2.gz KOVBJHMKPUGDMO-UHFFFAOYSA-N 1 2 213.256 0.895 20 0 BCADLO COCC[N@@H+](CCF)Cc1cnccn1 ZINC000827047944 587368870 /nfs/dbraw/zinc/36/88/70/587368870.db2.gz KOVBJHMKPUGDMO-UHFFFAOYSA-N 1 2 213.256 0.895 20 0 BCADLO CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214797 587373235 /nfs/dbraw/zinc/37/32/35/587373235.db2.gz JAKWYFHJMHMIGA-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827214797 587373236 /nfs/dbraw/zinc/37/32/36/587373236.db2.gz JAKWYFHJMHMIGA-MNOVXSKESA-N 1 2 241.335 0.813 20 0 BCADLO CN1CC[N@H+](Cc2cncnc2)CCC1=O ZINC000827359846 587378216 /nfs/dbraw/zinc/37/82/16/587378216.db2.gz SYSOWAHEFAUAAW-UHFFFAOYSA-N 1 2 220.276 0.141 20 0 BCADLO CN1CC[N@@H+](Cc2cncnc2)CCC1=O ZINC000827359846 587378217 /nfs/dbraw/zinc/37/82/17/587378217.db2.gz SYSOWAHEFAUAAW-UHFFFAOYSA-N 1 2 220.276 0.141 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC000827422255 587380829 /nfs/dbraw/zinc/38/08/29/587380829.db2.gz BYLBMCKBWGTJHI-YPMHNXCESA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC000827422255 587380830 /nfs/dbraw/zinc/38/08/30/587380830.db2.gz BYLBMCKBWGTJHI-YPMHNXCESA-N 1 2 238.331 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC000827422254 587380896 /nfs/dbraw/zinc/38/08/96/587380896.db2.gz BYLBMCKBWGTJHI-WCQYABFASA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC000827422254 587380897 /nfs/dbraw/zinc/38/08/97/587380897.db2.gz BYLBMCKBWGTJHI-WCQYABFASA-N 1 2 238.331 0.790 20 0 BCADLO CCC[C@H](O)C(=O)NCc1[nH]cc(C)[nH+]1 ZINC000827582241 587389747 /nfs/dbraw/zinc/38/97/47/587389747.db2.gz CRJROFDRUHPZCZ-QMMMGPOBSA-N 1 2 211.265 0.495 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CCCC1 ZINC000827626920 587393518 /nfs/dbraw/zinc/39/35/18/587393518.db2.gz ICYWNAPNUGZHPV-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO CC(C)CC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000827870151 587406056 /nfs/dbraw/zinc/40/60/56/587406056.db2.gz ATKOARRLCLXPCG-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO CC(C)CC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000827870151 587406058 /nfs/dbraw/zinc/40/60/58/587406058.db2.gz ATKOARRLCLXPCG-UHFFFAOYSA-N 1 2 249.376 0.968 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000827925346 587407695 /nfs/dbraw/zinc/40/76/95/587407695.db2.gz UJDQKIMCVFSIRQ-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000827925346 587407696 /nfs/dbraw/zinc/40/76/96/587407696.db2.gz UJDQKIMCVFSIRQ-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)cc[nH]1 ZINC000827977350 587414325 /nfs/dbraw/zinc/41/43/25/587414325.db2.gz HCBLAXZWOPRZMH-AOOOYVTPSA-N 1 2 247.298 0.294 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)cc[nH]1 ZINC000827977350 587414327 /nfs/dbraw/zinc/41/43/27/587414327.db2.gz HCBLAXZWOPRZMH-AOOOYVTPSA-N 1 2 247.298 0.294 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1CO ZINC000827983762 587414914 /nfs/dbraw/zinc/41/49/14/587414914.db2.gz TZJCSKFZWWFIJK-NTZNESFSSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1CO ZINC000827983762 587414915 /nfs/dbraw/zinc/41/49/15/587414915.db2.gz TZJCSKFZWWFIJK-NTZNESFSSA-N 1 2 238.331 0.312 20 0 BCADLO CC[C@](C)([NH2+]CC[S@](C)=O)C(=O)OC ZINC000828122409 587419960 /nfs/dbraw/zinc/41/99/60/587419960.db2.gz LMJNUPSIVNKJFF-XPTSAGLGSA-N 1 2 221.322 0.296 20 0 BCADLO CCCN1CCC[N@@H+](CC[S@@](C)=O)CC1=O ZINC000828415810 587441211 /nfs/dbraw/zinc/44/12/11/587441211.db2.gz XTJWBZDGWUXPGJ-MRXNPFEDSA-N 1 2 246.376 0.309 20 0 BCADLO CCCN1CCC[N@H+](CC[S@@](C)=O)CC1=O ZINC000828415810 587441210 /nfs/dbraw/zinc/44/12/10/587441210.db2.gz XTJWBZDGWUXPGJ-MRXNPFEDSA-N 1 2 246.376 0.309 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)C[C@H](C)[S@@]1=O ZINC000828419455 587441492 /nfs/dbraw/zinc/44/14/92/587441492.db2.gz COBLGBSFGNECAN-HZZFPTLFSA-N 1 2 237.390 0.206 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)C[C@H](C)[S@@]1=O ZINC000828419455 587441494 /nfs/dbraw/zinc/44/14/94/587441494.db2.gz COBLGBSFGNECAN-HZZFPTLFSA-N 1 2 237.390 0.206 20 0 BCADLO C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000828482343 587445231 /nfs/dbraw/zinc/44/52/31/587445231.db2.gz XDZHTABUPWWLTC-NSHDSACASA-N 1 2 241.335 0.766 20 0 BCADLO C[N@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000828482343 587445232 /nfs/dbraw/zinc/44/52/32/587445232.db2.gz XDZHTABUPWWLTC-NSHDSACASA-N 1 2 241.335 0.766 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000828519303 587445890 /nfs/dbraw/zinc/44/58/90/587445890.db2.gz CXTPNGIRASLBFH-ZBEGNZNMSA-N 1 2 247.360 0.246 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000828519303 587445892 /nfs/dbraw/zinc/44/58/92/587445892.db2.gz CXTPNGIRASLBFH-ZBEGNZNMSA-N 1 2 247.360 0.246 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000828525109 587447313 /nfs/dbraw/zinc/44/73/13/587447313.db2.gz KIDRLUNNUMIVAS-GDLVEWKHSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000828525109 587447314 /nfs/dbraw/zinc/44/73/14/587447314.db2.gz KIDRLUNNUMIVAS-GDLVEWKHSA-N 1 2 247.360 0.245 20 0 BCADLO Cc1noc([C@H]2CCC[N@@H+]2CC[S@@](C)=O)n1 ZINC000828537227 587449406 /nfs/dbraw/zinc/44/94/06/587449406.db2.gz WOWJKAOETZJOQQ-JDNHERCYSA-N 1 2 243.332 0.893 20 0 BCADLO Cc1noc([C@H]2CCC[N@H+]2CC[S@@](C)=O)n1 ZINC000828537227 587449407 /nfs/dbraw/zinc/44/94/07/587449407.db2.gz WOWJKAOETZJOQQ-JDNHERCYSA-N 1 2 243.332 0.893 20 0 BCADLO CC[C@@H]1C[N@H+](CC)CCN1CC[S@@](C)=O ZINC000828602797 587453075 /nfs/dbraw/zinc/45/30/75/587453075.db2.gz GJLWONOXFHVOIM-IAQYHMDHSA-N 1 2 232.393 0.781 20 0 BCADLO CC[C@@H]1C[N@@H+](CC)CCN1CC[S@@](C)=O ZINC000828602797 587453076 /nfs/dbraw/zinc/45/30/76/587453076.db2.gz GJLWONOXFHVOIM-IAQYHMDHSA-N 1 2 232.393 0.781 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC[S@](C)=O ZINC000828754606 587460120 /nfs/dbraw/zinc/46/01/20/587460120.db2.gz AXYRATNHNHGHHZ-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)[C@H]1CCCCC[N@H+]1CC[S@](C)=O ZINC000828754606 587460121 /nfs/dbraw/zinc/46/01/21/587460121.db2.gz AXYRATNHNHGHHZ-HWPZZCPQSA-N 1 2 247.360 0.783 20 0 BCADLO CCCCC[N@H+](CC[S@@](C)=O)CC(N)=O ZINC000828748070 587460362 /nfs/dbraw/zinc/46/03/62/587460362.db2.gz BYJWMJRHAXKROX-OAHLLOKOSA-N 1 2 234.365 0.342 20 0 BCADLO CCCCC[N@@H+](CC[S@@](C)=O)CC(N)=O ZINC000828748070 587460364 /nfs/dbraw/zinc/46/03/64/587460364.db2.gz BYJWMJRHAXKROX-OAHLLOKOSA-N 1 2 234.365 0.342 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CC[S@@](C)=O)C(=O)OC ZINC000828816220 587463719 /nfs/dbraw/zinc/46/37/19/587463719.db2.gz NIJFKGNOAJHUPN-KOSWAMCASA-N 1 2 235.349 0.542 20 0 BCADLO CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828869353 587467720 /nfs/dbraw/zinc/46/77/20/587467720.db2.gz BVTPKLDHGDQBHA-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccnn1C ZINC000828922112 587472480 /nfs/dbraw/zinc/47/24/80/587472480.db2.gz PBUPCRNBQKIOBT-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccnn1C ZINC000828922112 587472482 /nfs/dbraw/zinc/47/24/82/587472482.db2.gz PBUPCRNBQKIOBT-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000829108706 587483660 /nfs/dbraw/zinc/48/36/60/587483660.db2.gz YTRGIWWZCWIDJO-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000829108706 587483661 /nfs/dbraw/zinc/48/36/61/587483661.db2.gz YTRGIWWZCWIDJO-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(C(F)(F)F)C1 ZINC000829144682 587484821 /nfs/dbraw/zinc/48/48/21/587484821.db2.gz QMRQPLOPJUAJJM-UHFFFAOYSA-N 1 2 233.193 0.973 20 0 BCADLO COC(=O)C1(C[N@@H+]2CCO[C@H](C(F)F)C2)CC1 ZINC000829505205 587500832 /nfs/dbraw/zinc/50/08/32/587500832.db2.gz HBZXDNUKJOSDKC-QMMMGPOBSA-N 1 2 249.257 0.906 20 0 BCADLO COC(=O)C1(C[N@H+]2CCO[C@H](C(F)F)C2)CC1 ZINC000829505205 587500833 /nfs/dbraw/zinc/50/08/33/587500833.db2.gz HBZXDNUKJOSDKC-QMMMGPOBSA-N 1 2 249.257 0.906 20 0 BCADLO COCCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829513669 587501257 /nfs/dbraw/zinc/50/12/57/587501257.db2.gz QKHPFJDEZFAHNT-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(OCC(F)F)C1 ZINC000829574817 587504342 /nfs/dbraw/zinc/50/43/42/587504342.db2.gz CJCYEVBALADCPX-UHFFFAOYSA-N 1 2 245.229 0.445 20 0 BCADLO COCC[NH+]1CCN(C(=O)OC2CCC2)CC1 ZINC000829837286 587522156 /nfs/dbraw/zinc/52/21/56/587522156.db2.gz BGGWYGINMSTOJJ-UHFFFAOYSA-N 1 2 242.319 0.940 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000829878474 587527005 /nfs/dbraw/zinc/52/70/05/587527005.db2.gz LXWRNCUELPRHQW-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCS1 ZINC000829970362 587530694 /nfs/dbraw/zinc/53/06/94/587530694.db2.gz UORQANWQNNRCOP-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CCO)C1CC1 ZINC000830373193 587548231 /nfs/dbraw/zinc/54/82/31/587548231.db2.gz RYKUFZQJMWAVHU-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO CC[C@@H](C[C@H](C)CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830393824 587548827 /nfs/dbraw/zinc/54/88/27/587548827.db2.gz SGVCGHJBDKXJHQ-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC000830461593 587551969 /nfs/dbraw/zinc/55/19/69/587551969.db2.gz AZRQBNBIQNCZEM-VHSXEESVSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](F)C2)CCO1 ZINC000830461593 587551971 /nfs/dbraw/zinc/55/19/71/587551971.db2.gz AZRQBNBIQNCZEM-VHSXEESVSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709036 587564805 /nfs/dbraw/zinc/56/48/05/587564805.db2.gz VQBKGIMGFVGZGA-UWVGGRQHSA-N 1 2 225.288 0.945 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709036 587564806 /nfs/dbraw/zinc/56/48/06/587564806.db2.gz VQBKGIMGFVGZGA-UWVGGRQHSA-N 1 2 225.288 0.945 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830735152 587565737 /nfs/dbraw/zinc/56/57/37/587565737.db2.gz SFNKOKYXOGSVNZ-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830735152 587565739 /nfs/dbraw/zinc/56/57/39/587565739.db2.gz SFNKOKYXOGSVNZ-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)nn1C ZINC000830851440 587573818 /nfs/dbraw/zinc/57/38/18/587573818.db2.gz GIVUUPQVCOLNTD-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO COC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000830889368 587575170 /nfs/dbraw/zinc/57/51/70/587575170.db2.gz HPQCMFGDXJYIPP-VIFPVBQESA-N 1 2 223.276 0.493 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000831269459 587594975 /nfs/dbraw/zinc/59/49/75/587594975.db2.gz PZYGORSBPOMPCR-IONNQARKSA-N 1 2 225.292 0.997 20 0 BCADLO CCO[C@H]1C[C@H]([NH2+]CC(=O)NOC)C12CCC2 ZINC000831308857 587597245 /nfs/dbraw/zinc/59/72/45/587597245.db2.gz QSCQWPMMFPGZDV-UWVGGRQHSA-N 1 2 242.319 0.601 20 0 BCADLO CC[C@H](C[C@@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC000831305808 587597391 /nfs/dbraw/zinc/59/73/91/587597391.db2.gz ZSQYAHKXUFUFHT-NXEZZACHSA-N 1 2 239.319 0.628 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831606614 587622379 /nfs/dbraw/zinc/62/23/79/587622379.db2.gz FNCXPDUTTJWCLY-UWVGGRQHSA-N 1 2 235.287 0.844 20 0 BCADLO CCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000831667625 587627007 /nfs/dbraw/zinc/62/70/07/587627007.db2.gz AHARDWMFPKVQEI-MRVPVSSYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1=O ZINC000831670493 587627170 /nfs/dbraw/zinc/62/71/70/587627170.db2.gz NWMVPGYDTPJKOG-KXUCPTDWSA-N 1 2 241.287 0.623 20 0 BCADLO C[C@@H]1C[N@H+](CC[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000831769253 587630624 /nfs/dbraw/zinc/63/06/24/587630624.db2.gz ITABEZRZPNZBMF-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H]1C[N@@H+](CC[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000831769253 587630625 /nfs/dbraw/zinc/63/06/25/587630625.db2.gz ITABEZRZPNZBMF-DGCLKSJQSA-N 1 2 248.326 0.930 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000831769863 587630962 /nfs/dbraw/zinc/63/09/62/587630962.db2.gz VYKDAYPAVTYENL-SECBINFHSA-N 1 2 212.293 0.422 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000831769863 587630963 /nfs/dbraw/zinc/63/09/63/587630963.db2.gz VYKDAYPAVTYENL-SECBINFHSA-N 1 2 212.293 0.422 20 0 BCADLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCF ZINC000831782186 587631567 /nfs/dbraw/zinc/63/15/67/587631567.db2.gz FTWDSRCIKKYKPE-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCF ZINC000831782186 587631568 /nfs/dbraw/zinc/63/15/68/587631568.db2.gz FTWDSRCIKKYKPE-VIFPVBQESA-N 1 2 223.313 0.855 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000831958669 587638780 /nfs/dbraw/zinc/63/87/80/587638780.db2.gz NPYQPMRKRSHKCO-JTQLQIEISA-N 1 2 227.308 0.424 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832003588 587642312 /nfs/dbraw/zinc/64/23/12/587642312.db2.gz SZAYAHNKPQSJJR-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO CC1(C)OCC(NC(=O)Cc2[nH]cc[nH+]2)CO1 ZINC000832154274 587647096 /nfs/dbraw/zinc/64/70/96/587647096.db2.gz SIRKFRUMWDHHBJ-UHFFFAOYSA-N 1 2 239.275 0.220 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000832220296 587650974 /nfs/dbraw/zinc/65/09/74/587650974.db2.gz SBXWRCIIUFRJMN-NXEZZACHSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000832220296 587650976 /nfs/dbraw/zinc/65/09/76/587650976.db2.gz SBXWRCIIUFRJMN-NXEZZACHSA-N 1 2 215.293 0.641 20 0 BCADLO COc1cc(NC(=O)Cc2[nH]cc[nH+]2)nn1C ZINC000832380385 587656661 /nfs/dbraw/zinc/65/66/61/587656661.db2.gz KSYRKMDMKYWHMJ-UHFFFAOYSA-N 1 2 235.247 0.333 20 0 BCADLO CC(C)(O)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000832517608 587664430 /nfs/dbraw/zinc/66/44/30/587664430.db2.gz NWAVOAWDQYBLDC-UHFFFAOYSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1CCO ZINC000832571068 587667045 /nfs/dbraw/zinc/66/70/45/587667045.db2.gz SOBXZWAJSVTXSZ-ZJUUUORDSA-N 1 2 237.303 0.620 20 0 BCADLO CN(CC1(CO)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832703673 587676919 /nfs/dbraw/zinc/67/69/19/587676919.db2.gz YGMDFXLPPPFOHX-UHFFFAOYSA-N 1 2 223.276 0.183 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CO ZINC000832759096 587685499 /nfs/dbraw/zinc/68/54/99/587685499.db2.gz HFBCPXUURUMRHN-DTWKUNHWSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CO ZINC000832759097 587685815 /nfs/dbraw/zinc/68/58/15/587685815.db2.gz HFBCPXUURUMRHN-IUCAKERBSA-N 1 2 223.276 0.182 20 0 BCADLO CC1(C)CO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832797161 587690619 /nfs/dbraw/zinc/69/06/19/587690619.db2.gz JHTMCLAOPXAOAY-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@@](C)(C(=O)[O-])C1CC1 ZINC000833058905 587698674 /nfs/dbraw/zinc/69/86/74/587698674.db2.gz OZFITUQAZAMUMH-LLVKDONJSA-N 1 2 223.276 0.763 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1ccc[nH]c1=O ZINC000833305878 587705081 /nfs/dbraw/zinc/70/50/81/587705081.db2.gz YJUKEGZXKNOMPY-VIFPVBQESA-N 1 2 244.254 0.859 20 0 BCADLO C[NH+](C)CCONC(=O)[C@H]1CC1(Cl)Cl ZINC000833859144 587736854 /nfs/dbraw/zinc/73/68/54/587736854.db2.gz ATEIGXGWJGYHLV-ZCFIWIBFSA-N 1 2 241.118 0.790 20 0 BCADLO O=C([O-])N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000834190834 587748620 /nfs/dbraw/zinc/74/86/20/587748620.db2.gz UZKJMJTXJUPQLS-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])N[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000834190834 587748621 /nfs/dbraw/zinc/74/86/21/587748621.db2.gz UZKJMJTXJUPQLS-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO O=C([O-])NCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000834239551 587749681 /nfs/dbraw/zinc/74/96/81/587749681.db2.gz NGUYBKNEHBZLJU-UHFFFAOYSA-N 1 2 238.291 0.857 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000834374119 587753546 /nfs/dbraw/zinc/75/35/46/587753546.db2.gz YHFWROSRZZHKCB-WOPDTQHZSA-N 1 2 249.314 0.957 20 0 BCADLO C[C@@H](C[NH3+])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000834622945 587761677 /nfs/dbraw/zinc/76/16/77/587761677.db2.gz NGVJXZYMKYWRLQ-YFKPBYRVSA-N 1 2 230.214 0.747 20 0 BCADLO Cn1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)n1 ZINC000835372639 587798590 /nfs/dbraw/zinc/79/85/90/587798590.db2.gz WBAMABCNCOGMPU-VIFPVBQESA-N 1 2 241.266 0.621 20 0 BCADLO Cn1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)n1 ZINC000835372639 587798591 /nfs/dbraw/zinc/79/85/91/587798591.db2.gz WBAMABCNCOGMPU-VIFPVBQESA-N 1 2 241.266 0.621 20 0 BCADLO CC(C)ONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000836352694 587831382 /nfs/dbraw/zinc/83/13/82/587831382.db2.gz ZRADZASCYYHOGH-JTQLQIEISA-N 1 2 245.323 0.346 20 0 BCADLO CC(C)ONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000836352694 587831383 /nfs/dbraw/zinc/83/13/83/587831383.db2.gz ZRADZASCYYHOGH-JTQLQIEISA-N 1 2 245.323 0.346 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc[nH]n1 ZINC000837536619 587880382 /nfs/dbraw/zinc/88/03/82/587880382.db2.gz ADBHDYHDIJKUOY-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc[nH]n1 ZINC000837536619 587880383 /nfs/dbraw/zinc/88/03/83/587880383.db2.gz ADBHDYHDIJKUOY-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CC[C@H](O)CC(=O)OCCCn1cc[nH+]c1 ZINC000837811178 587896222 /nfs/dbraw/zinc/89/62/22/587896222.db2.gz PPZVWORNQYQCOR-JTQLQIEISA-N 1 2 226.276 0.977 20 0 BCADLO CCC[C@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000837806578 587896498 /nfs/dbraw/zinc/89/64/98/587896498.db2.gz UMNDBZJJBDJFFS-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[C@@H](O)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000837812287 587897533 /nfs/dbraw/zinc/89/75/33/587897533.db2.gz ZYDRQLCIWVNQKD-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@@H](O)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000837812284 587897785 /nfs/dbraw/zinc/89/77/85/587897785.db2.gz ZYDRQLCIWVNQKD-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000104082382 587933790 /nfs/dbraw/zinc/93/37/90/587933790.db2.gz YRYYECWSJXHOJF-UHFFFAOYSA-N 1 2 242.319 0.352 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000104082382 587933791 /nfs/dbraw/zinc/93/37/91/587933791.db2.gz YRYYECWSJXHOJF-UHFFFAOYSA-N 1 2 242.319 0.352 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000104082392 587933959 /nfs/dbraw/zinc/93/39/59/587933959.db2.gz ZQPQYZYJCVBCOO-UHFFFAOYSA-N 1 2 242.319 0.207 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000104082392 587933960 /nfs/dbraw/zinc/93/39/60/587933960.db2.gz ZQPQYZYJCVBCOO-UHFFFAOYSA-N 1 2 242.319 0.207 20 0 BCADLO C[C@H]1COCCC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841680436 587971670 /nfs/dbraw/zinc/97/16/70/587971670.db2.gz ITMDODFFVMMHDP-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@H]1COCCC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841680436 587971672 /nfs/dbraw/zinc/97/16/72/587971672.db2.gz ITMDODFFVMMHDP-VIFPVBQESA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1C[N@H+](CN2CC(F)(F)CC2=O)CCCO1 ZINC000841679150 587972339 /nfs/dbraw/zinc/97/23/39/587972339.db2.gz KYOIKKMVASTPMQ-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CC(F)(F)CC2=O)CCCO1 ZINC000841679150 587972340 /nfs/dbraw/zinc/97/23/40/587972340.db2.gz KYOIKKMVASTPMQ-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N(C)C(C)C ZINC000842036991 587991859 /nfs/dbraw/zinc/99/18/59/587991859.db2.gz SLBQAQMYHITSIS-BDAKNGLRSA-N 1 2 245.323 0.775 20 0 BCADLO Cn1cnn(C[N@H+](C)CCC(C)(C)C)c1=O ZINC000842632132 588046552 /nfs/dbraw/zinc/04/65/52/588046552.db2.gz SQCWTLGBKKPKPU-UHFFFAOYSA-N 1 2 226.324 0.907 20 0 BCADLO Cn1cnn(C[N@@H+](C)CCC(C)(C)C)c1=O ZINC000842632132 588046554 /nfs/dbraw/zinc/04/65/54/588046554.db2.gz SQCWTLGBKKPKPU-UHFFFAOYSA-N 1 2 226.324 0.907 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)CC2(CCC2)O1 ZINC000842641397 588048126 /nfs/dbraw/zinc/04/81/26/588048126.db2.gz UOPHYKKVUDQHLE-JTQLQIEISA-N 1 2 222.292 0.879 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)CC2(CCC2)O1 ZINC000842641397 588048128 /nfs/dbraw/zinc/04/81/28/588048128.db2.gz UOPHYKKVUDQHLE-JTQLQIEISA-N 1 2 222.292 0.879 20 0 BCADLO COCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842659251 588050138 /nfs/dbraw/zinc/05/01/38/588050138.db2.gz BHAIHUJPIUBPRX-VIFPVBQESA-N 1 2 232.280 0.184 20 0 BCADLO C[C@H](O)CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658033 588050218 /nfs/dbraw/zinc/05/02/18/588050218.db2.gz WCZPCEYWXPRBIL-UWVGGRQHSA-N 1 2 246.307 0.451 20 0 BCADLO CCOCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655779 588050352 /nfs/dbraw/zinc/05/03/52/588050352.db2.gz ILWSYZLRQDSZQA-SNVBAGLBSA-N 1 2 246.307 0.717 20 0 BCADLO NC(COC[C@@H]1CCOC1)=[NH+]O[C@@H]1CCOC1 ZINC000842662414 588050794 /nfs/dbraw/zinc/05/07/94/588050794.db2.gz SIFIHTJSFIJXSY-NXEZZACHSA-N 1 2 244.291 0.327 20 0 BCADLO CC(C)Cn1nccc1C[NH2+]Cc1cnn(C)n1 ZINC000842705900 588054310 /nfs/dbraw/zinc/05/43/10/588054310.db2.gz YVBHGDVEXZIZTA-UHFFFAOYSA-N 1 2 248.334 0.957 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC(=O)C1 ZINC000842726340 588056354 /nfs/dbraw/zinc/05/63/54/588056354.db2.gz XEFXUBFIDKJGDD-QMMMGPOBSA-N 1 2 222.244 0.833 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1nccs1 ZINC000842769426 588061397 /nfs/dbraw/zinc/06/13/97/588061397.db2.gz NTUCVUOXKFUGRC-UHFFFAOYSA-N 1 2 229.305 0.643 20 0 BCADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(C)=O ZINC000842965320 588073432 /nfs/dbraw/zinc/07/34/32/588073432.db2.gz NUNSJDIJZUMAFQ-GXSJLCMTSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(C)=O ZINC000842965320 588073434 /nfs/dbraw/zinc/07/34/34/588073434.db2.gz NUNSJDIJZUMAFQ-GXSJLCMTSA-N 1 2 231.292 0.285 20 0 BCADLO CC[NH2+]Cc1noc([C@@H]2CN(CC)CCO2)n1 ZINC000843142721 588086235 /nfs/dbraw/zinc/08/62/35/588086235.db2.gz HHBAMFAVNIWOEF-VIFPVBQESA-N 1 2 240.307 0.572 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(F)CC1 ZINC000843767287 588138933 /nfs/dbraw/zinc/13/89/33/588138933.db2.gz DGRIIAQHQTVTPN-QMMMGPOBSA-N 1 2 211.240 0.890 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782688 588139793 /nfs/dbraw/zinc/13/97/93/588139793.db2.gz QVZYWTNJWHMAAW-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782688 588139794 /nfs/dbraw/zinc/13/97/94/588139794.db2.gz QVZYWTNJWHMAAW-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(F)CC1 ZINC000843788523 588140070 /nfs/dbraw/zinc/14/00/70/588140070.db2.gz KQORYFVZQMZSHA-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(F)CC1 ZINC000843788523 588140068 /nfs/dbraw/zinc/14/00/68/588140068.db2.gz KQORYFVZQMZSHA-SECBINFHSA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCC(=O)C2)CC[N@@H+]1C ZINC000843806039 588141602 /nfs/dbraw/zinc/14/16/02/588141602.db2.gz LMGDQEXWZQSZMP-VHSXEESVSA-N 1 2 224.304 0.518 20 0 BCADLO 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CCCONC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000844086408 588164300 /nfs/dbraw/zinc/16/43/00/588164300.db2.gz ZQRQOFVWDSJAJI-SNVBAGLBSA-N 1 2 230.308 0.413 20 0 BCADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000844134877 588169517 /nfs/dbraw/zinc/16/95/17/588169517.db2.gz KQENKKAPTZPDIU-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO CC(C)ONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844143279 588170197 /nfs/dbraw/zinc/17/01/97/588170197.db2.gz AVTSXRCDXPWIGA-SECBINFHSA-N 1 2 223.276 0.902 20 0 BCADLO CCCONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844149987 588170503 /nfs/dbraw/zinc/17/05/03/588170503.db2.gz FKQSCYAYAYWJFA-VIFPVBQESA-N 1 2 223.276 0.903 20 0 BCADLO O=C(NOCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844144335 588170670 /nfs/dbraw/zinc/17/06/70/588170670.db2.gz RZVRPAXWLUVYJR-JTQLQIEISA-N 1 2 235.287 0.903 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccc(C)n1 ZINC000844393929 588189545 /nfs/dbraw/zinc/18/95/45/588189545.db2.gz XLJLVGOTTPWVMC-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccc(C)n1 ZINC000844393929 588189546 /nfs/dbraw/zinc/18/95/46/588189546.db2.gz XLJLVGOTTPWVMC-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCC(C)=O)C[C@H](C)O1 ZINC000844423947 588191987 /nfs/dbraw/zinc/19/19/87/588191987.db2.gz VPTIQNHQNDNRIL-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCC(C)=O)C[C@H](C)O1 ZINC000844423947 588191988 /nfs/dbraw/zinc/19/19/88/588191988.db2.gz VPTIQNHQNDNRIL-UWVGGRQHSA-N 1 2 229.276 0.228 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC(F)C1 ZINC000867357198 588192183 /nfs/dbraw/zinc/19/21/83/588192183.db2.gz ZRNDEYPIZXNICP-UPHRSURJSA-N 1 2 228.267 0.055 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cn1 ZINC000844435347 588192952 /nfs/dbraw/zinc/19/29/52/588192952.db2.gz XHNVXTYKVREJDA-MMPTUQATSA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cn1 ZINC000844435347 588192953 /nfs/dbraw/zinc/19/29/53/588192953.db2.gz XHNVXTYKVREJDA-MMPTUQATSA-N 1 2 240.303 0.926 20 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224.308 0.580 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844698961 588214217 /nfs/dbraw/zinc/21/42/17/588214217.db2.gz XXIWJNMDYHWNQE-JTQLQIEISA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c(=O)n1C ZINC000844694322 588214433 /nfs/dbraw/zinc/21/44/33/588214433.db2.gz MRGOUMZMBYTQMR-IUCAKERBSA-N 1 2 224.308 0.436 20 0 BCADLO CC[N@H+](CC1CCC1)Cn1nc(C)n(C)c1=O ZINC000844705163 588214447 /nfs/dbraw/zinc/21/44/47/588214447.db2.gz REVUEISWTPOYSN-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO CC[N@@H+](CC1CCC1)Cn1nc(C)n(C)c1=O ZINC000844705163 588214449 /nfs/dbraw/zinc/21/44/49/588214449.db2.gz REVUEISWTPOYSN-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@H+](C)C2CC(C)(C)C2)c(=O)n1C ZINC000844709213 588214967 /nfs/dbraw/zinc/21/49/67/588214967.db2.gz XIMLLPAZDWRKNM-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@@H+](C)C2CC(C)(C)C2)c(=O)n1C ZINC000844709213 588214969 /nfs/dbraw/zinc/21/49/69/588214969.db2.gz XIMLLPAZDWRKNM-UHFFFAOYSA-N 1 2 238.335 0.968 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC000844748654 588215877 /nfs/dbraw/zinc/21/58/77/588215877.db2.gz MAVSHSJXFOHHHK-TWTBIMQBSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC000844748654 588215878 /nfs/dbraw/zinc/21/58/78/588215878.db2.gz MAVSHSJXFOHHHK-TWTBIMQBSA-N 1 2 242.344 0.018 20 0 BCADLO FC1(F)[C@H]2C[N@H+](CN3CCOC3=S)C[C@H]21 ZINC000844754386 588216223 /nfs/dbraw/zinc/21/62/23/588216223.db2.gz WWURPBMLWXCBPH-KNVOCYPGSA-N 1 2 234.271 0.758 20 0 BCADLO FC1(F)[C@H]2C[N@@H+](CN3CCOC3=S)C[C@H]21 ZINC000844754386 588216224 /nfs/dbraw/zinc/21/62/24/588216224.db2.gz WWURPBMLWXCBPH-KNVOCYPGSA-N 1 2 234.271 0.758 20 0 BCADLO NC(CCO)=[NH+]OCc1cc2n(n1)CCC2 ZINC000844766470 588216485 /nfs/dbraw/zinc/21/64/85/588216485.db2.gz JMDQSDODVUOPMC-UHFFFAOYSA-N 1 2 224.264 0.210 20 0 BCADLO CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000845281255 588225478 /nfs/dbraw/zinc/22/54/78/588225478.db2.gz JLTVOSNBZBNMHR-IUCAKERBSA-N 1 2 239.275 0.641 20 0 BCADLO CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000845281256 588225560 /nfs/dbraw/zinc/22/55/60/588225560.db2.gz JLTVOSNBZBNMHR-RKDXNWHRSA-N 1 2 239.275 0.641 20 0 BCADLO C[C@H](CC(=O)OCc1cnn(C)n1)n1cc[nH+]c1 ZINC000845287561 588225806 /nfs/dbraw/zinc/22/58/06/588225806.db2.gz XIOVWIVVTOOPAL-SECBINFHSA-N 1 2 249.274 0.706 20 0 BCADLO C[C@H](CC(=O)OCCCC(N)=O)n1cc[nH+]c1 ZINC000845479002 588229851 /nfs/dbraw/zinc/22/98/51/588229851.db2.gz HDPJMNSLJVCTFK-SECBINFHSA-N 1 2 239.275 0.643 20 0 BCADLO C[C@H](CC(=O)O[C@@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000845498372 588231030 /nfs/dbraw/zinc/23/10/30/588231030.db2.gz YIFZSSKESMCUDL-BDAKNGLRSA-N 1 2 237.259 0.266 20 0 BCADLO Cc1nonc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845547906 588233211 /nfs/dbraw/zinc/23/32/11/588233211.db2.gz CTQIEWYGCIKCOU-QMMMGPOBSA-N 1 2 249.274 0.842 20 0 BCADLO CC(C)(C)c1nc(NCCn2cnnn2)cc[nH+]1 ZINC000845573550 588233697 /nfs/dbraw/zinc/23/36/97/588233697.db2.gz BCDQANXAOVJIHX-UHFFFAOYSA-N 1 2 247.306 0.873 20 0 BCADLO CCONC(=O)CNc1[nH+]cnc2[nH]ccc21 ZINC000845716481 588242555 /nfs/dbraw/zinc/24/25/55/588242555.db2.gz VCORQTSKDWAKSO-UHFFFAOYSA-N 1 2 235.247 0.438 20 0 BCADLO COCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845717966 588242596 /nfs/dbraw/zinc/24/25/96/588242596.db2.gz IWALTVSOYCJYCX-SECBINFHSA-N 1 2 227.264 0.528 20 0 BCADLO CCONC(=O)CNc1cc(C)[nH+]c(CC)n1 ZINC000845717711 588242601 /nfs/dbraw/zinc/24/26/01/588242601.db2.gz LTHUWQZLHMWCEC-UHFFFAOYSA-N 1 2 238.291 0.827 20 0 BCADLO O[C@H](C[N@@H+]1CCC2(C1)OCCO2)C(F)(F)F ZINC000121586062 588244140 /nfs/dbraw/zinc/24/41/40/588244140.db2.gz HSMMXKGDERXBJR-SSDOTTSWSA-N 1 2 241.209 0.358 20 0 BCADLO O[C@H](C[N@H+]1CCC2(C1)OCCO2)C(F)(F)F ZINC000121586062 588244141 /nfs/dbraw/zinc/24/41/41/588244141.db2.gz HSMMXKGDERXBJR-SSDOTTSWSA-N 1 2 241.209 0.358 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nccn1CC ZINC000846063060 588254919 /nfs/dbraw/zinc/25/49/19/588254919.db2.gz QBYGHURZXILQNW-UHFFFAOYSA-N 1 2 240.307 0.403 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n(C)n1 ZINC000846102392 588256795 /nfs/dbraw/zinc/25/67/95/588256795.db2.gz FFCHHXIVBQJXCV-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n(C)n1 ZINC000846102392 588256796 /nfs/dbraw/zinc/25/67/96/588256796.db2.gz FFCHHXIVBQJXCV-MMPTUQATSA-N 1 2 239.344 0.434 20 0 BCADLO O=C1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)C(=O)N1 ZINC000846703482 588283673 /nfs/dbraw/zinc/28/36/73/588283673.db2.gz OFRXISLAHSWOPJ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)C(=O)N1 ZINC000846703482 588283674 /nfs/dbraw/zinc/28/36/74/588283674.db2.gz OFRXISLAHSWOPJ-LLVKDONJSA-N 1 2 248.257 0.599 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769798 588286904 /nfs/dbraw/zinc/28/69/04/588286904.db2.gz POPYOQQCQGWLMU-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769798 588286905 /nfs/dbraw/zinc/28/69/05/588286905.db2.gz POPYOQQCQGWLMU-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1C[N@H+](C[C@@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769803 588287165 /nfs/dbraw/zinc/28/71/65/588287165.db2.gz POPYOQQCQGWLMU-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769803 588287166 /nfs/dbraw/zinc/28/71/66/588287166.db2.gz POPYOQQCQGWLMU-WDEREUQCSA-N 1 2 242.319 0.938 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnsn1 ZINC000846798604 588288756 /nfs/dbraw/zinc/28/87/56/588288756.db2.gz KQGHHWSRXWTJLM-HTQZYQBOSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnsn1 ZINC000846798604 588288757 /nfs/dbraw/zinc/28/87/57/588288757.db2.gz KQGHHWSRXWTJLM-HTQZYQBOSA-N 1 2 240.332 0.624 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@@H]1CN(CC)C(=O)O1 ZINC000846808295 588290159 /nfs/dbraw/zinc/29/01/59/588290159.db2.gz KKFFMXYTSXBMLO-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@@H]1CN(CC)C(=O)O1 ZINC000846808295 588290160 /nfs/dbraw/zinc/29/01/60/588290160.db2.gz KKFFMXYTSXBMLO-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO C[N@H+](CC1(Br)CC1)[C@@H]1CCNC1=O ZINC000846834739 588292013 /nfs/dbraw/zinc/29/20/13/588292013.db2.gz FOQIFYAXQPDWFL-SSDOTTSWSA-N 1 2 247.136 0.734 20 0 BCADLO C[N@@H+](CC1(Br)CC1)[C@@H]1CCNC1=O ZINC000846834739 588292014 /nfs/dbraw/zinc/29/20/14/588292014.db2.gz FOQIFYAXQPDWFL-SSDOTTSWSA-N 1 2 247.136 0.734 20 0 BCADLO COCC[C@@]1([NH2+]Cc2cnsn2)CCOC1 ZINC000846880904 588295142 /nfs/dbraw/zinc/29/51/42/588295142.db2.gz ZTPICRRHPHKSKY-SNVBAGLBSA-N 1 2 243.332 0.823 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000846921330 588296910 /nfs/dbraw/zinc/29/69/10/588296910.db2.gz SWDFLCAYVLLHGK-VIFPVBQESA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000846921330 588296911 /nfs/dbraw/zinc/29/69/11/588296911.db2.gz SWDFLCAYVLLHGK-VIFPVBQESA-N 1 2 238.291 0.431 20 0 BCADLO CC(=O)C1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000846937492 588297497 /nfs/dbraw/zinc/29/74/97/588297497.db2.gz GMDZCVNBVIETKW-VIFPVBQESA-N 1 2 247.360 0.721 20 0 BCADLO CC(=O)C1CC[NH+](C[C@@H](C)S(C)(=O)=O)CC1 ZINC000846937488 588297619 /nfs/dbraw/zinc/29/76/19/588297619.db2.gz GMDZCVNBVIETKW-SECBINFHSA-N 1 2 247.360 0.721 20 0 BCADLO C[N@H+](Cc1cnsn1)CC(C)(C)CO ZINC000846946450 588298091 /nfs/dbraw/zinc/29/80/91/588298091.db2.gz XHCKVIYHIKRTMF-UHFFFAOYSA-N 1 2 215.322 0.988 20 0 BCADLO C[N@@H+](Cc1cnsn1)CC(C)(C)CO ZINC000846946450 588298092 /nfs/dbraw/zinc/29/80/92/588298092.db2.gz XHCKVIYHIKRTMF-UHFFFAOYSA-N 1 2 215.322 0.988 20 0 BCADLO CON1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000846975594 588299497 /nfs/dbraw/zinc/29/94/97/588299497.db2.gz JDIJLFMWEZOIMR-NSHDSACASA-N 1 2 243.351 0.421 20 0 BCADLO CON1CCN(CCn2cc[nH+]c2C)CC1 ZINC000846974505 588299535 /nfs/dbraw/zinc/29/95/35/588299535.db2.gz BMQJPBAORDSWGC-UHFFFAOYSA-N 1 2 224.308 0.371 20 0 BCADLO CCCC[C@H](C(=O)OC)[NH+]1CCN(OC)CC1 ZINC000846976870 588299797 /nfs/dbraw/zinc/29/97/97/588299797.db2.gz KFUVIPATPWZCOZ-LLVKDONJSA-N 1 2 244.335 0.897 20 0 BCADLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(OC)CC1 ZINC000846976874 588299936 /nfs/dbraw/zinc/29/99/36/588299936.db2.gz KFUVIPATPWZCOZ-NSHDSACASA-N 1 2 244.335 0.897 20 0 BCADLO NC(=O)[C@@]1([NH2+]C/C(Cl)=C/Cl)CCOC1 ZINC000847051818 588305024 /nfs/dbraw/zinc/30/50/24/588305024.db2.gz ACBHDRKXWSZJME-WAXIIBMWSA-N 1 2 239.102 0.539 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CO)CCC1 ZINC000847636836 588321435 /nfs/dbraw/zinc/32/14/35/588321435.db2.gz UEGPVILRAVBMMB-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CO)CCC1 ZINC000847636836 588321436 /nfs/dbraw/zinc/32/14/36/588321436.db2.gz UEGPVILRAVBMMB-SECBINFHSA-N 1 2 237.303 0.620 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@]2(C)CCOC2=O)C1 ZINC000848104644 588356061 /nfs/dbraw/zinc/35/60/61/588356061.db2.gz UKYRQFPIHRXGOL-GFCCVEGCSA-N 1 2 240.303 0.150 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cnc(Cl)n2C)n1 ZINC000848551983 588396743 /nfs/dbraw/zinc/39/67/43/588396743.db2.gz FWBLEGGCZAMESE-UHFFFAOYSA-N 1 2 240.698 0.492 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848558786 588397015 /nfs/dbraw/zinc/39/70/15/588397015.db2.gz SLVJFJKXLDEPOL-BDAKNGLRSA-N 1 2 232.349 0.928 20 0 BCADLO COc1c(C)[nH+]cnc1NCCC[S@@](C)=O ZINC000848663190 588404180 /nfs/dbraw/zinc/40/41/80/588404180.db2.gz FJFLAQDIZMSUEN-MRXNPFEDSA-N 1 2 243.332 0.974 20 0 BCADLO COc1c(C)[nH+]cnc1NCc1cnn(C)n1 ZINC000848702589 588406694 /nfs/dbraw/zinc/40/66/94/588406694.db2.gz FPBSXYRTXJPPII-UHFFFAOYSA-N 1 2 234.263 0.534 20 0 BCADLO Cn1c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cnc1Cl ZINC000848903581 588418676 /nfs/dbraw/zinc/41/86/76/588418676.db2.gz AMJMPJWTFXDDTK-CBAPKCEASA-N 1 2 245.710 0.001 20 0 BCADLO Cn1c(C[N@H+]2C[C@@H](O)C[C@H]2CO)cnc1Cl ZINC000848903581 588418677 /nfs/dbraw/zinc/41/86/77/588418677.db2.gz AMJMPJWTFXDDTK-CBAPKCEASA-N 1 2 245.710 0.001 20 0 BCADLO CCONC(=O)CNC(=[NH2+])Nc1ccccc1 ZINC000849050030 588451936 /nfs/dbraw/zinc/45/19/36/588451936.db2.gz XDEGONQSHRRMQH-UHFFFAOYSA-N 1 2 236.275 0.691 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000849212151 588461345 /nfs/dbraw/zinc/46/13/45/588461345.db2.gz BQVUWKNGNIAYQC-UHFFFAOYSA-N 1 2 221.260 0.621 20 0 BCADLO S=C(NCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000849263175 588466945 /nfs/dbraw/zinc/46/69/45/588466945.db2.gz JHDVHRJOPWRBLX-UHFFFAOYSA-N 1 2 236.344 0.983 20 0 BCADLO CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280504 588469550 /nfs/dbraw/zinc/46/95/50/588469550.db2.gz DPNOHZQNZOAWHP-DTWKUNHWSA-N 1 2 231.365 0.190 20 0 BCADLO CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280504 588469548 /nfs/dbraw/zinc/46/95/48/588469548.db2.gz DPNOHZQNZOAWHP-DTWKUNHWSA-N 1 2 231.365 0.190 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)c2ncnn21 ZINC000849321478 588471982 /nfs/dbraw/zinc/47/19/82/588471982.db2.gz GBKUWNORTFHQSP-OPRDCNLKSA-N 1 2 249.318 0.542 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)c2ncnn21 ZINC000849322372 588472506 /nfs/dbraw/zinc/47/25/06/588472506.db2.gz RHXWDAANGDMNBJ-KXUCPTDWSA-N 1 2 249.318 0.494 20 0 BCADLO O=C(/C=C\Cn1cncn1)OCCn1cc[nH+]c1 ZINC000850165343 588522917 /nfs/dbraw/zinc/52/29/17/588522917.db2.gz YRJKYBIQBIQKRP-UPHRSURJSA-N 1 2 247.258 0.274 20 0 BCADLO Cc1c[nH]c(CN[C@H](C)c2nnnn2C2CC2)[nH+]1 ZINC000850276343 588534097 /nfs/dbraw/zinc/53/40/97/588534097.db2.gz GQYWJWVWUQNYDP-MRVPVSSYSA-N 1 2 247.306 0.890 20 0 BCADLO COC[C@@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000850869230 588572184 /nfs/dbraw/zinc/57/21/84/588572184.db2.gz PDOCNRLIQQPWFU-SECBINFHSA-N 1 2 228.248 0.125 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850998999 588582994 /nfs/dbraw/zinc/58/29/94/588582994.db2.gz XEGGGOFYFWKFKU-ZNSHCXBVSA-N 1 2 243.278 0.466 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850998999 588582996 /nfs/dbraw/zinc/58/29/96/588582996.db2.gz XEGGGOFYFWKFKU-ZNSHCXBVSA-N 1 2 243.278 0.466 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851728788 588619076 /nfs/dbraw/zinc/61/90/76/588619076.db2.gz SLDKLPUQUUFHSP-VIFPVBQESA-N 1 2 224.264 0.170 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851728788 588619077 /nfs/dbraw/zinc/61/90/77/588619077.db2.gz SLDKLPUQUUFHSP-VIFPVBQESA-N 1 2 224.264 0.170 20 0 BCADLO O[C@H](C[NH+]1CCN(C2CC2)CC1)c1ccccn1 ZINC000851737515 588621080 /nfs/dbraw/zinc/62/10/80/588621080.db2.gz GLJIBXUVRXJPMZ-CQSZACIVSA-N 1 2 247.342 0.895 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC(=O)O1 ZINC000851745554 588621855 /nfs/dbraw/zinc/62/18/55/588621855.db2.gz IBNMVDWJLFECNC-VIFPVBQESA-N 1 2 243.303 0.966 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC(=O)O1 ZINC000851745554 588621856 /nfs/dbraw/zinc/62/18/56/588621856.db2.gz IBNMVDWJLFECNC-VIFPVBQESA-N 1 2 243.303 0.966 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000851752673 588623821 /nfs/dbraw/zinc/62/38/21/588623821.db2.gz KPQOIEMVYXOOCU-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000851752673 588623822 /nfs/dbraw/zinc/62/38/22/588623822.db2.gz KPQOIEMVYXOOCU-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CC1(C)OC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000851766859 588625111 /nfs/dbraw/zinc/62/51/11/588625111.db2.gz OYSOFLLFDKHJJO-SECBINFHSA-N 1 2 233.333 0.202 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)c1ccccn1 ZINC000851767417 588625113 /nfs/dbraw/zinc/62/51/13/588625113.db2.gz BUZFGLTYGKUUGO-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H](O)c1ccccn1 ZINC000851767417 588625114 /nfs/dbraw/zinc/62/51/14/588625114.db2.gz BUZFGLTYGKUUGO-LBPRGKRZSA-N 1 2 232.287 0.970 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851780452 588627286 /nfs/dbraw/zinc/62/72/86/588627286.db2.gz XJQZMHJSYYKJOA-NEPJUHHUSA-N 1 2 249.314 0.325 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851780452 588627287 /nfs/dbraw/zinc/62/72/87/588627287.db2.gz XJQZMHJSYYKJOA-NEPJUHHUSA-N 1 2 249.314 0.325 20 0 BCADLO O=C1C[N@@H+](CCOC(F)F)[C@H]2CCCC[C@@H]2N1 ZINC000851808801 588631953 /nfs/dbraw/zinc/63/19/53/588631953.db2.gz QBEPGYWUNJUSMY-IUCAKERBSA-N 1 2 248.273 0.969 20 0 BCADLO O=C1C[N@H+](CCOC(F)F)[C@H]2CCCC[C@@H]2N1 ZINC000851808801 588631954 /nfs/dbraw/zinc/63/19/54/588631954.db2.gz QBEPGYWUNJUSMY-IUCAKERBSA-N 1 2 248.273 0.969 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOC(F)F ZINC000851812554 588632588 /nfs/dbraw/zinc/63/25/88/588632588.db2.gz KJKUFNRSSSGJTR-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOC(F)F ZINC000851812554 588632589 /nfs/dbraw/zinc/63/25/89/588632589.db2.gz KJKUFNRSSSGJTR-JGVFFNPUSA-N 1 2 225.235 0.307 20 0 BCADLO C[N@H+](Cc1cnon1)C1(C(N)=O)CCCC1 ZINC000851868669 588637354 /nfs/dbraw/zinc/63/73/54/588637354.db2.gz UQXHZWYBVFKUBR-UHFFFAOYSA-N 1 2 224.264 0.300 20 0 BCADLO C[N@@H+](Cc1cnon1)C1(C(N)=O)CCCC1 ZINC000851868669 588637355 /nfs/dbraw/zinc/63/73/55/588637355.db2.gz UQXHZWYBVFKUBR-UHFFFAOYSA-N 1 2 224.264 0.300 20 0 BCADLO O=C1CC[C@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851883262 588639328 /nfs/dbraw/zinc/63/93/28/588639328.db2.gz CNHVTTLHCQSZCW-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851883262 588639329 /nfs/dbraw/zinc/63/93/29/588639329.db2.gz CNHVTTLHCQSZCW-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOC(F)F ZINC000851883282 588639639 /nfs/dbraw/zinc/63/96/39/588639639.db2.gz DAKJELPQCDFQKA-MRVPVSSYSA-N 1 2 236.262 0.826 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(F)F ZINC000851883282 588639640 /nfs/dbraw/zinc/63/96/40/588639640.db2.gz DAKJELPQCDFQKA-MRVPVSSYSA-N 1 2 236.262 0.826 20 0 BCADLO NC(=O)C1([NH2+]Cc2cccc(F)n2)CC1 ZINC000851909988 588642906 /nfs/dbraw/zinc/64/29/06/588642906.db2.gz KZVBTBXDANGOCY-UHFFFAOYSA-N 1 2 209.224 0.328 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1cnon1)CC2 ZINC000851919698 588643688 /nfs/dbraw/zinc/64/36/88/588643688.db2.gz NDMPPQFYSKFUPW-UHFFFAOYSA-N 1 2 219.248 0.590 20 0 BCADLO OC[C@H]([NH2+]Cc1cnon1)c1ccsc1 ZINC000851944940 588646683 /nfs/dbraw/zinc/64/66/83/588646683.db2.gz XYKOGQZIMOKYOA-VIFPVBQESA-N 1 2 225.273 0.954 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2CCc1c[nH]nn1 ZINC000851956063 588648025 /nfs/dbraw/zinc/64/80/25/588648025.db2.gz BJFKGLFNTGEPJH-LLVKDONJSA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2CCc1c[nH]nn1 ZINC000851956063 588648026 /nfs/dbraw/zinc/64/80/26/588648026.db2.gz BJFKGLFNTGEPJH-LLVKDONJSA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2CCc1cn[nH]n1 ZINC000851956063 588648027 /nfs/dbraw/zinc/64/80/27/588648027.db2.gz BJFKGLFNTGEPJH-LLVKDONJSA-N 1 2 236.275 0.129 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2CCc1cn[nH]n1 ZINC000851956063 588648028 /nfs/dbraw/zinc/64/80/28/588648028.db2.gz BJFKGLFNTGEPJH-LLVKDONJSA-N 1 2 236.275 0.129 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851957238 588648072 /nfs/dbraw/zinc/64/80/72/588648072.db2.gz MZRZAUHTSCNSCK-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851957238 588648073 /nfs/dbraw/zinc/64/80/73/588648073.db2.gz MZRZAUHTSCNSCK-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851966115 588648509 /nfs/dbraw/zinc/64/85/09/588648509.db2.gz YFTSENGGXNNSLE-SNVBAGLBSA-N 1 2 227.264 0.307 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851966115 588648510 /nfs/dbraw/zinc/64/85/10/588648510.db2.gz YFTSENGGXNNSLE-SNVBAGLBSA-N 1 2 227.264 0.307 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCO[C@H]1CC1(F)F ZINC000851968912 588649268 /nfs/dbraw/zinc/64/92/68/588649268.db2.gz VAZXWHUZPPFZJV-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCO[C@H]1CC1(F)F ZINC000851968912 588649269 /nfs/dbraw/zinc/64/92/69/588649269.db2.gz VAZXWHUZPPFZJV-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOC(F)F ZINC000851968858 588649320 /nfs/dbraw/zinc/64/93/20/588649320.db2.gz UFCCJIDFAHYZRD-SSDOTTSWSA-N 1 2 222.235 0.388 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOC(F)F ZINC000851968858 588649321 /nfs/dbraw/zinc/64/93/21/588649321.db2.gz UFCCJIDFAHYZRD-SSDOTTSWSA-N 1 2 222.235 0.388 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000851975351 588649918 /nfs/dbraw/zinc/64/99/18/588649918.db2.gz QGCWVOWAWHAIRS-PSASIEDQSA-N 1 2 238.291 0.231 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000851975351 588649919 /nfs/dbraw/zinc/64/99/19/588649919.db2.gz QGCWVOWAWHAIRS-PSASIEDQSA-N 1 2 238.291 0.231 20 0 BCADLO CCN1CCC[N@H+](CCOC(F)F)CC1=O ZINC000851974811 588650264 /nfs/dbraw/zinc/65/02/64/588650264.db2.gz JFWWCFHYLXMRII-UHFFFAOYSA-N 1 2 236.262 0.780 20 0 BCADLO CCN1CCC[N@@H+](CCOC(F)F)CC1=O ZINC000851974811 588650265 /nfs/dbraw/zinc/65/02/65/588650265.db2.gz JFWWCFHYLXMRII-UHFFFAOYSA-N 1 2 236.262 0.780 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000851997398 588653289 /nfs/dbraw/zinc/65/32/89/588653289.db2.gz JCVWNONYPFECNM-LBPRGKRZSA-N 1 2 249.318 0.010 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000851997398 588653290 /nfs/dbraw/zinc/65/32/90/588653290.db2.gz JCVWNONYPFECNM-LBPRGKRZSA-N 1 2 249.318 0.010 20 0 BCADLO CC(C)([NH2+]Cc1cnon1)C(=O)N1CCCC1 ZINC000852003303 588654435 /nfs/dbraw/zinc/65/44/35/588654435.db2.gz IIIQJRXUYHSPTO-UHFFFAOYSA-N 1 2 238.291 0.560 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000852004275 588654440 /nfs/dbraw/zinc/65/44/40/588654440.db2.gz FXEHDDZNJYGSHH-MWLCHTKSSA-N 1 2 238.287 0.608 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000852004275 588654441 /nfs/dbraw/zinc/65/44/41/588654441.db2.gz FXEHDDZNJYGSHH-MWLCHTKSSA-N 1 2 238.287 0.608 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC(F)F ZINC000852007306 588654631 /nfs/dbraw/zinc/65/46/31/588654631.db2.gz ZLIHLQGNMFHPGZ-LURJTMIESA-N 1 2 211.208 0.719 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCOC(F)F ZINC000852014200 588655342 /nfs/dbraw/zinc/65/53/42/588655342.db2.gz MMEALXGAPPOUGN-UHFFFAOYSA-N 1 2 222.235 0.436 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCOC(F)F ZINC000852014200 588655343 /nfs/dbraw/zinc/65/53/43/588655343.db2.gz MMEALXGAPPOUGN-UHFFFAOYSA-N 1 2 222.235 0.436 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852051572 588658062 /nfs/dbraw/zinc/65/80/62/588658062.db2.gz XZGAJXNQNDGGEM-VIFPVBQESA-N 1 2 240.307 0.398 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852051572 588658063 /nfs/dbraw/zinc/65/80/63/588658063.db2.gz XZGAJXNQNDGGEM-VIFPVBQESA-N 1 2 240.307 0.398 20 0 BCADLO CC1(C)OC[C@H](CC[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000852062938 588658545 /nfs/dbraw/zinc/65/85/45/588658545.db2.gz MNRHMFCCEHDPGN-CABZTGNLSA-N 1 2 243.303 0.823 20 0 BCADLO O[C@@H](CN1CCn2c[nH+]cc2C1)c1ccccn1 ZINC000852063257 588658564 /nfs/dbraw/zinc/65/85/64/588658564.db2.gz OWHUHPSFIUBSRR-ZDUSSCGKSA-N 1 2 244.298 0.827 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2cnon2)CCC1=O ZINC000852085292 588661027 /nfs/dbraw/zinc/66/10/27/588661027.db2.gz HJCNCHASKAXDHH-SECBINFHSA-N 1 2 224.264 0.122 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2cnon2)CCC1=O ZINC000852085292 588661028 /nfs/dbraw/zinc/66/10/28/588661028.db2.gz HJCNCHASKAXDHH-SECBINFHSA-N 1 2 224.264 0.122 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000852123321 588665439 /nfs/dbraw/zinc/66/54/39/588665439.db2.gz OGNCWQYKSHDCAL-JTQLQIEISA-N 1 2 231.246 0.622 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000852123321 588665440 /nfs/dbraw/zinc/66/54/40/588665440.db2.gz OGNCWQYKSHDCAL-JTQLQIEISA-N 1 2 231.246 0.622 20 0 BCADLO CON1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000852144852 588667299 /nfs/dbraw/zinc/66/72/99/588667299.db2.gz WJAAOQIGJPXXCM-UHFFFAOYSA-N 1 2 236.319 0.772 20 0 BCADLO c1nonc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000852161430 588668459 /nfs/dbraw/zinc/66/84/59/588668459.db2.gz HUNYOVRJQNEIIH-SCZZXKLOSA-N 1 2 209.249 0.680 20 0 BCADLO c1nonc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000852161430 588668460 /nfs/dbraw/zinc/66/84/60/588668460.db2.gz HUNYOVRJQNEIIH-SCZZXKLOSA-N 1 2 209.249 0.680 20 0 BCADLO CC1(C)C[N@@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000852184471 588670704 /nfs/dbraw/zinc/67/07/04/588670704.db2.gz CSVUTUNWMYQWEU-QMMMGPOBSA-N 1 2 239.262 0.697 20 0 BCADLO CC1(C)C[N@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000852184471 588670703 /nfs/dbraw/zinc/67/07/03/588670703.db2.gz CSVUTUNWMYQWEU-QMMMGPOBSA-N 1 2 239.262 0.697 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189056 588671109 /nfs/dbraw/zinc/67/11/09/588671109.db2.gz URVQHPQJTZJGBK-DAXSKMNVSA-N 1 2 241.247 0.326 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189056 588671110 /nfs/dbraw/zinc/67/11/10/588671110.db2.gz URVQHPQJTZJGBK-DAXSKMNVSA-N 1 2 241.247 0.326 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H]2COC(C)(C)O2)n1 ZINC000852219432 588673685 /nfs/dbraw/zinc/67/36/85/588673685.db2.gz UEYIVTAJDLTMIX-SECBINFHSA-N 1 2 241.291 0.961 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)n1 ZINC000852219432 588673686 /nfs/dbraw/zinc/67/36/86/588673686.db2.gz UEYIVTAJDLTMIX-SECBINFHSA-N 1 2 241.291 0.961 20 0 BCADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287497 588674731 /nfs/dbraw/zinc/67/47/31/588674731.db2.gz ZBFYEAGWLFVPIT-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287497 588674732 /nfs/dbraw/zinc/67/47/32/588674732.db2.gz ZBFYEAGWLFVPIT-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CCn1ncc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000852287183 588675738 /nfs/dbraw/zinc/67/57/38/588675738.db2.gz CBGHRAZSHVXYGZ-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCn1ncc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000852287183 588675739 /nfs/dbraw/zinc/67/57/39/588675739.db2.gz CBGHRAZSHVXYGZ-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO Cc1nonc1CN(C)Cc1c[nH+]c[nH]1 ZINC000852287868 588675796 /nfs/dbraw/zinc/67/57/96/588675796.db2.gz IHAKMFDBCXKNKG-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO Cc1nonc1CN(C)Cc1c[nH]c[nH+]1 ZINC000852287868 588675797 /nfs/dbraw/zinc/67/57/97/588675797.db2.gz IHAKMFDBCXKNKG-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](CC2OCCO2)CCO1 ZINC000852322934 588678225 /nfs/dbraw/zinc/67/82/25/588678225.db2.gz SRKYOFKNGRHHQE-GFCCVEGCSA-N 1 2 227.304 0.860 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](CC2OCCO2)CCO1 ZINC000852322934 588678226 /nfs/dbraw/zinc/67/82/26/588678226.db2.gz SRKYOFKNGRHHQE-GFCCVEGCSA-N 1 2 227.304 0.860 20 0 BCADLO COCCN(CCF)Cc1cn(C)c[nH+]1 ZINC000852481233 588684249 /nfs/dbraw/zinc/68/42/49/588684249.db2.gz JMGOGXZHDRWSBJ-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@H+](CCF)[C@H](C)C(=O)N(C)C ZINC000852484543 588685008 /nfs/dbraw/zinc/68/50/08/588685008.db2.gz HCDHCGSGRNGRGV-SECBINFHSA-N 1 2 220.288 0.381 20 0 BCADLO COCC[N@@H+](CCF)[C@H](C)C(=O)N(C)C ZINC000852484543 588685009 /nfs/dbraw/zinc/68/50/09/588685009.db2.gz HCDHCGSGRNGRGV-SECBINFHSA-N 1 2 220.288 0.381 20 0 BCADLO C[N@H+](CC1=CCCOC1)[C@H]1CCOC1=O ZINC000852518842 588687977 /nfs/dbraw/zinc/68/79/77/588687977.db2.gz PZLHVDNPGANQHV-JTQLQIEISA-N 1 2 211.261 0.580 20 0 BCADLO C[N@@H+](CC1=CCCOC1)[C@H]1CCOC1=O ZINC000852518842 588687978 /nfs/dbraw/zinc/68/79/78/588687978.db2.gz PZLHVDNPGANQHV-JTQLQIEISA-N 1 2 211.261 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236.227 0.734 20 0 BCADLO C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865096394 589408468 /nfs/dbraw/zinc/40/84/68/589408468.db2.gz VPKRFNPOILNXNB-IONNQARKSA-N 1 2 209.249 0.312 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCCO1 ZINC000865131515 589410361 /nfs/dbraw/zinc/41/03/61/589410361.db2.gz QBOYJYHCPZGNHP-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO COC/C=C\C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000865140522 589410842 /nfs/dbraw/zinc/41/08/42/589410842.db2.gz ZUJPXRKAKUVJAL-IHWYPQMZSA-N 1 2 248.282 0.874 20 0 BCADLO Cc1nc(N2CCC(CO)(CO)CC2)cc[nH+]1 ZINC000865203541 589414171 /nfs/dbraw/zinc/41/41/71/589414171.db2.gz BGHBOMQRINHDEW-UHFFFAOYSA-N 1 2 237.303 0.356 20 0 BCADLO CN(C)c1c[nH+]cc(NCc2cnn(C)n2)c1 ZINC000865294775 589420165 /nfs/dbraw/zinc/42/01/65/589420165.db2.gz RPWZAJXDRQPUMK-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(C)=O ZINC000120537880 589433671 /nfs/dbraw/zinc/43/36/71/589433671.db2.gz IVDSGJZRUQHCQR-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CCC(C)=O ZINC000120537880 589433673 /nfs/dbraw/zinc/43/36/73/589433673.db2.gz IVDSGJZRUQHCQR-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865403878 589433836 /nfs/dbraw/zinc/43/38/36/589433836.db2.gz SVMQIQJNBNXUDT-SECBINFHSA-N 1 2 236.319 0.832 20 0 BCADLO C[C@H](CO)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865430453 589435653 /nfs/dbraw/zinc/43/56/53/589435653.db2.gz WBQBTDKZDBEPLX-RXMQYKEDSA-N 1 2 226.667 0.826 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(F)nn1 ZINC000865444093 589436538 /nfs/dbraw/zinc/43/65/38/589436538.db2.gz SAUBLOLREVCTFM-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865532685 589443716 /nfs/dbraw/zinc/44/37/16/589443716.db2.gz KRZAQZDBOXHAOQ-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCNC1=O ZINC000865574819 589447898 /nfs/dbraw/zinc/44/78/98/589447898.db2.gz DWIWEOFSTFXERD-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO CCCn1cc(C[NH2+][C@@H]2COC[C@@H]2OC)nn1 ZINC000865600661 589450674 /nfs/dbraw/zinc/45/06/74/589450674.db2.gz BTFPQAKPFKBQIX-MNOVXSKESA-N 1 2 240.307 0.192 20 0 BCADLO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H](O)C(F)(F)F ZINC000865710791 589458027 /nfs/dbraw/zinc/45/80/27/589458027.db2.gz FFCLZJXLOOAYJQ-FSPLSTOPSA-N 1 2 238.213 0.216 20 0 BCADLO COCC=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000865742028 589460127 /nfs/dbraw/zinc/46/01/27/589460127.db2.gz VCPROYUVMZXZTL-ONEGZZNKSA-N 1 2 206.245 0.953 20 0 BCADLO C[C@@H](O)c1ccc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]c1 ZINC000865968347 589470908 /nfs/dbraw/zinc/47/09/08/589470908.db2.gz CMNRPQGQDQCEBI-SZEHBUNVSA-N 1 2 235.287 0.811 20 0 BCADLO Cc1nc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nc(N)[nH+]1 ZINC000866042716 589473606 /nfs/dbraw/zinc/47/36/06/589473606.db2.gz DLHZOKFANPOOFY-WLRJLXCNSA-N 1 2 247.302 0.598 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)[nH+]1 ZINC000866042716 589473607 /nfs/dbraw/zinc/47/36/07/589473607.db2.gz DLHZOKFANPOOFY-WLRJLXCNSA-N 1 2 247.302 0.598 20 0 BCADLO CC(C)c1nc(NC[C@@H](O)[C@H](C)O)cc[nH+]1 ZINC000866108496 589476546 /nfs/dbraw/zinc/47/65/46/589476546.db2.gz HEDJICPEBRYCMJ-DTWKUNHWSA-N 1 2 225.292 0.754 20 0 BCADLO CC(C)c1nc(NC[C@H](O)[C@@H](C)O)cc[nH+]1 ZINC000866108495 589476556 /nfs/dbraw/zinc/47/65/56/589476556.db2.gz HEDJICPEBRYCMJ-BDAKNGLRSA-N 1 2 225.292 0.754 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000866110948 589476960 /nfs/dbraw/zinc/47/69/60/589476960.db2.gz SUQTXAYNVXQZCO-BDAKNGLRSA-N 1 2 239.319 0.928 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@H](O)[C@@H](C)O)[nH+]1 ZINC000866111113 589476999 /nfs/dbraw/zinc/47/69/99/589476999.db2.gz XPUHPJPDGHXIAY-MUWHJKNJSA-N 1 2 236.275 0.420 20 0 BCADLO C[C@@H](O)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000866111171 589477076 /nfs/dbraw/zinc/47/70/76/589477076.db2.gz YHSCDOPDAGBTRS-VXNVDRBHSA-N 1 2 223.276 0.508 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866202125 589479763 /nfs/dbraw/zinc/47/97/63/589479763.db2.gz ZBXRNUCZEADNQX-MRTMQBJTSA-N 1 2 223.276 0.558 20 0 BCADLO Cn1ncnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000866293046 589484511 /nfs/dbraw/zinc/48/45/11/589484511.db2.gz BDAXOQBAYBLTAF-UHFFFAOYSA-N 1 2 244.302 0.667 20 0 BCADLO C[C@@H]1CCCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000206154910 589494634 /nfs/dbraw/zinc/49/46/34/589494634.db2.gz VKHGXKJKWSDZTF-OGOUPESXSA-N 1 2 238.331 0.886 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866703295 589513692 /nfs/dbraw/zinc/51/36/92/589513692.db2.gz KQANHBXDQANOBZ-WEDXCCLWSA-N 1 2 239.275 0.079 20 0 BCADLO C[N@@H+]1CCN(C(=O)OCCCF)[C@H](CO)C1 ZINC000867537948 589524680 /nfs/dbraw/zinc/52/46/80/589524680.db2.gz DEDXPKCUHPTODG-VIFPVBQESA-N 1 2 234.271 0.091 20 0 BCADLO C[N@H+]1CCN(C(=O)OCCCF)[C@H](CO)C1 ZINC000867537948 589524681 /nfs/dbraw/zinc/52/46/81/589524681.db2.gz DEDXPKCUHPTODG-VIFPVBQESA-N 1 2 234.271 0.091 20 0 BCADLO CO[C@@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867675636 589530102 /nfs/dbraw/zinc/53/01/02/589530102.db2.gz AIQDVFPPXSGKOD-UFFNRZRYSA-N 1 2 242.319 0.026 20 0 BCADLO CC(C)=CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867733691 589532971 /nfs/dbraw/zinc/53/29/71/589532971.db2.gz OWCKARIBQFAODH-ARJAWSKDSA-N 1 2 238.331 0.957 20 0 BCADLO CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867907088 589539403 /nfs/dbraw/zinc/53/94/03/589539403.db2.gz MWGBKJQXCLWWOX-QMMMGPOBSA-N 1 2 209.249 0.312 20 0 BCADLO CC1(C)CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867907125 589539418 /nfs/dbraw/zinc/53/94/18/589539418.db2.gz NPBWAXALPNEFAN-ONEGZZNKSA-N 1 2 238.331 0.743 20 0 BCADLO CC1=CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868003709 589543540 /nfs/dbraw/zinc/54/35/40/589543540.db2.gz DXALLFWQCRCBMH-SNVBAGLBSA-N 1 2 221.260 0.622 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCCCN1 ZINC000868287984 589553576 /nfs/dbraw/zinc/55/35/76/589553576.db2.gz SJUFEBAUACECRC-ARJAWSKDSA-N 1 2 239.319 0.002 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H]1C(F)(F)F ZINC000868439881 589558314 /nfs/dbraw/zinc/55/83/14/589558314.db2.gz YXAHMWOPDMCZAH-NKWVEPMBSA-N 1 2 249.192 0.606 20 0 BCADLO CCC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868483798 589560235 /nfs/dbraw/zinc/56/02/35/589560235.db2.gz ITNYDWDYKDKKHK-VIFPVBQESA-N 1 2 223.276 0.702 20 0 BCADLO CCC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868483797 589560245 /nfs/dbraw/zinc/56/02/45/589560245.db2.gz ITNYDWDYKDKKHK-SECBINFHSA-N 1 2 223.276 0.702 20 0 BCADLO CCOCCONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868511707 589561455 /nfs/dbraw/zinc/56/14/55/589561455.db2.gz OWLUBLCZAUKLPM-UHFFFAOYSA-N 1 2 242.279 0.519 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868539021 589563215 /nfs/dbraw/zinc/56/32/15/589563215.db2.gz MSESKPHANGQRSL-APPZFPTMSA-N 1 2 209.249 0.454 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868539028 589563223 /nfs/dbraw/zinc/56/32/23/589563223.db2.gz MSESKPHANGQRSL-CBAPKCEASA-N 1 2 209.249 0.454 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000868577026 589564998 /nfs/dbraw/zinc/56/49/98/589564998.db2.gz LYXQVASXIDJDFT-BKPPORCPSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H]1C ZINC000868577818 589565122 /nfs/dbraw/zinc/56/51/22/589565122.db2.gz SAAJNHCNKLTHAP-LXYZTQFVSA-N 1 2 238.331 0.742 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]1C(F)F ZINC000868606444 589567513 /nfs/dbraw/zinc/56/75/13/589567513.db2.gz USJFVIMSLYEBSV-LURJTMIESA-N 1 2 215.203 0.818 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)F ZINC000868621668 589568723 /nfs/dbraw/zinc/56/87/23/589568723.db2.gz LVCZBIMMJVIFMZ-UHFFFAOYSA-N 1 2 228.271 0.967 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC2(CC2)C1 ZINC000868621844 589568748 /nfs/dbraw/zinc/56/87/48/589568748.db2.gz ORGZWRBZTLNVJS-OWOJBTEDSA-N 1 2 236.315 0.497 20 0 BCADLO C[C@@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)O ZINC000868663007 589571408 /nfs/dbraw/zinc/57/14/08/589571408.db2.gz FGBYLKZVFJPMQX-VXNVDRBHSA-N 1 2 241.291 0.061 20 0 BCADLO CC/C=C\CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868678614 589572774 /nfs/dbraw/zinc/57/27/74/589572774.db2.gz AYKCFMUCDIQRSF-OUPQRBNQSA-N 1 2 238.331 0.957 20 0 BCADLO CCC1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868833687 589578641 /nfs/dbraw/zinc/57/86/41/589578641.db2.gz UGPBJFQHHGIRPM-ARJAWSKDSA-N 1 2 238.331 0.743 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868867119 589580496 /nfs/dbraw/zinc/58/04/96/589580496.db2.gz HLQJOCVAHBLIOQ-BYCRGOAPSA-N 1 2 238.331 0.790 20 0 BCADLO CCCONC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869085266 589586393 /nfs/dbraw/zinc/58/63/93/589586393.db2.gz ZOTODDXYTGQAHG-ONEGZZNKSA-N 1 2 228.292 0.333 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCC(F)(F)C1 ZINC000869132728 589590131 /nfs/dbraw/zinc/59/01/31/589590131.db2.gz OIKUGPHUJGQTGL-MRVPVSSYSA-N 1 2 245.229 0.701 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000869283011 589596241 /nfs/dbraw/zinc/59/62/41/589596241.db2.gz HTUVLYYKFRZRAN-NQMVMOMDSA-N 1 2 221.260 0.312 20 0 BCADLO CC[C@@H](NC(C)=O)C(=O)OCCn1cc[nH+]c1 ZINC000869677078 589621367 /nfs/dbraw/zinc/62/13/67/589621367.db2.gz JLXJPYMRQZFYRS-SNVBAGLBSA-N 1 2 239.275 0.341 20 0 BCADLO COC/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000870028956 589643108 /nfs/dbraw/zinc/64/31/08/589643108.db2.gz BKVFQXQFRPGFTQ-ONEGZZNKSA-N 1 2 224.260 0.708 20 0 BCADLO CCCNC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123130449 589665619 /nfs/dbraw/zinc/66/56/19/589665619.db2.gz ULUBVVALYUJQAI-JTQLQIEISA-N 1 2 244.408 0.106 20 0 BCADLO CCCNC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123130449 589665621 /nfs/dbraw/zinc/66/56/21/589665621.db2.gz ULUBVVALYUJQAI-JTQLQIEISA-N 1 2 244.408 0.106 20 0 BCADLO CC1(F)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000871075692 589721135 /nfs/dbraw/zinc/72/11/35/589721135.db2.gz IEDFJJDFTCQOKN-VIFPVBQESA-N 1 2 241.266 0.794 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)C ZINC000871598012 589772862 /nfs/dbraw/zinc/77/28/62/589772862.db2.gz ZLMFTALLQHVJNG-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)C ZINC000871598012 589772865 /nfs/dbraw/zinc/77/28/65/589772865.db2.gz ZLMFTALLQHVJNG-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCc1ccnn1C ZINC000871734265 589800941 /nfs/dbraw/zinc/80/09/41/589800941.db2.gz CGGOQAADCHNDCQ-MRVPVSSYSA-N 1 2 226.280 0.496 20 0 BCADLO CN(C)C(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871778308 589813816 /nfs/dbraw/zinc/81/38/16/589813816.db2.gz BSUZKRHKQLFXGH-UHFFFAOYSA-N 1 2 229.280 0.142 20 0 BCADLO Cn1c[nH+]cc1CON=C(N)COC1CCC1 ZINC000871775302 589814156 /nfs/dbraw/zinc/81/41/56/589814156.db2.gz LDBXJJWZQFHXKG-UHFFFAOYSA-N 1 2 238.291 0.988 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@H]1COCCO1 ZINC000871778635 589814327 /nfs/dbraw/zinc/81/43/27/589814327.db2.gz QTUYWWMUNYMHAU-SNVBAGLBSA-N 1 2 244.291 0.469 20 0 BCADLO O[C@@H](C[NH+]1CC2(C1)CCCO2)c1ccccn1 ZINC000871984764 589853221 /nfs/dbraw/zinc/85/32/21/589853221.db2.gz GFTNCZFIYHQVMS-LBPRGKRZSA-N 1 2 234.299 0.980 20 0 BCADLO Cc1nonc1CN[C@@H](C)c1[nH+]ccn1C ZINC000872135054 589878248 /nfs/dbraw/zinc/87/82/48/589878248.db2.gz CICJGJRDSMUDEN-QMMMGPOBSA-N 1 2 221.264 0.962 20 0 BCADLO Cc1nonc1CN[C@@H](C)c1[nH]cc[nH+]1 ZINC000872135704 589879015 /nfs/dbraw/zinc/87/90/15/589879015.db2.gz HWHXUGXZAONYDH-ZETCQYMHSA-N 1 2 207.237 0.952 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)O)n1 ZINC000872200189 589889948 /nfs/dbraw/zinc/88/99/48/589889948.db2.gz XCRYTMPVPIPGRX-APPZFPTMSA-N 1 2 243.307 0.551 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)[C@@H]2CCOC2=O)C1=O ZINC000872263023 589902393 /nfs/dbraw/zinc/90/23/93/589902393.db2.gz HKKSLQFBCSBKGN-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)[C@@H]2CCOC2=O)C1=O ZINC000872263023 589902395 /nfs/dbraw/zinc/90/23/95/589902395.db2.gz HKKSLQFBCSBKGN-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO CCOCC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872295224 589906944 /nfs/dbraw/zinc/90/69/44/589906944.db2.gz BSGGOOWXQCJDOP-UHFFFAOYSA-N 1 2 249.314 0.897 20 0 BCADLO C[C@H](O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872307512 589908550 /nfs/dbraw/zinc/90/85/50/589908550.db2.gz YTARICCVNMNMBE-VIFPVBQESA-N 1 2 235.287 0.241 20 0 BCADLO C[C@@H](O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872307511 589908554 /nfs/dbraw/zinc/90/85/54/589908554.db2.gz YTARICCVNMNMBE-SECBINFHSA-N 1 2 235.287 0.241 20 0 BCADLO CN1CCN(C(=O)C(C)(C)O)Cc2ccc[nH+]c21 ZINC000872307657 589908680 /nfs/dbraw/zinc/90/86/80/589908680.db2.gz FBUGURDLRVCKKS-UHFFFAOYSA-N 1 2 249.314 0.631 20 0 BCADLO O=C(Nc1nccs1)[C@H]1CSC[NH2+]1 ZINC000019485948 589939397 /nfs/dbraw/zinc/93/93/97/589939397.db2.gz UZVGEGVQRBWJOX-RXMQYKEDSA-N 1 2 215.303 0.744 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)OCCF ZINC000872646002 589958018 /nfs/dbraw/zinc/95/80/18/589958018.db2.gz WKJDFDJVJLTMEL-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)OCCF ZINC000872646002 589958020 /nfs/dbraw/zinc/95/80/20/589958020.db2.gz WKJDFDJVJLTMEL-JTQLQIEISA-N 1 2 248.298 0.793 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)OC ZINC000872645261 589958317 /nfs/dbraw/zinc/95/83/17/589958317.db2.gz UKCGRONCNLXQJX-VIFPVBQESA-N 1 2 216.281 0.453 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)OC ZINC000872645261 589958318 /nfs/dbraw/zinc/95/83/18/589958318.db2.gz UKCGRONCNLXQJX-VIFPVBQESA-N 1 2 216.281 0.453 20 0 BCADLO CC(=O)C1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000872667934 589960104 /nfs/dbraw/zinc/96/01/04/589960104.db2.gz SNTMSKDZQWAPJV-UHFFFAOYSA-N 1 2 235.291 0.568 20 0 BCADLO CC(=O)C1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000872667934 589960106 /nfs/dbraw/zinc/96/01/06/589960106.db2.gz SNTMSKDZQWAPJV-UHFFFAOYSA-N 1 2 235.291 0.568 20 0 BCADLO CC(=O)C1CC[NH+](CN2CCC2=O)CC1 ZINC000872799935 589971101 /nfs/dbraw/zinc/97/11/01/589971101.db2.gz HZISISYRBIUVKB-UHFFFAOYSA-N 1 2 210.277 0.477 20 0 BCADLO C[C@H](O)c1ccc(N(C)[C@@H](C)CO)[nH+]c1 ZINC000124381424 589983732 /nfs/dbraw/zinc/98/37/32/589983732.db2.gz CGQLPCQWAPPYSI-IUCAKERBSA-N 1 2 210.277 0.952 20 0 BCADLO Cc1nonc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000873195826 589991060 /nfs/dbraw/zinc/99/10/60/589991060.db2.gz DHZBBTYWVNNJCS-UHFFFAOYSA-N 1 2 220.232 0.768 20 0 BCADLO C[N@H+](Cc1cnc(N)cn1)[C@@H]1CCCCNC1=O ZINC000873206224 589993704 /nfs/dbraw/zinc/99/37/04/589993704.db2.gz XTXULZSWDKLIAT-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO C[N@@H+](Cc1cnc(N)cn1)[C@@H]1CCCCNC1=O ZINC000873206224 589993707 /nfs/dbraw/zinc/99/37/07/589993707.db2.gz XTXULZSWDKLIAT-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(N)cn2)[C@@H](C)C1 ZINC000873205875 589993942 /nfs/dbraw/zinc/99/39/42/589993942.db2.gz UEZULZCCGPBMCD-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(N)cn2)[C@@H](C)C1 ZINC000873205875 589993943 /nfs/dbraw/zinc/99/39/43/589993943.db2.gz UEZULZCCGPBMCD-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO O=C(c1cccc[n+]1[O-])N1CC[NH+](C2CC2)CC1 ZINC000124716208 590076873 /nfs/dbraw/zinc/07/68/73/590076873.db2.gz SWCMCBJYTLETPX-UHFFFAOYSA-N 1 2 247.298 0.240 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC(OC)C2)[nH+]1 ZINC000874461680 590112698 /nfs/dbraw/zinc/11/26/98/590112698.db2.gz PGYVIMBSJIVAFY-UHFFFAOYSA-N 1 2 223.276 0.372 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1OCCO1)C(C)(C)C ZINC000125067669 590116912 /nfs/dbraw/zinc/11/69/12/590116912.db2.gz BJHCVKYHOVYODE-SNVBAGLBSA-N 1 2 245.319 0.927 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)F ZINC000874708803 590124951 /nfs/dbraw/zinc/12/49/51/590124951.db2.gz YLOASBSASSRENK-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)F ZINC000874708803 590124953 /nfs/dbraw/zinc/12/49/53/590124953.db2.gz YLOASBSASSRENK-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CCC2 ZINC000874778058 590130008 /nfs/dbraw/zinc/13/00/08/590130008.db2.gz JKBQCAHPFNCCTB-SECBINFHSA-N 1 2 205.261 0.942 20 0 BCADLO CC1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)COC1 ZINC000875628465 590167142 /nfs/dbraw/zinc/16/71/42/590167142.db2.gz OUGHZXDMQAFGER-MRVPVSSYSA-N 1 2 236.275 0.416 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1C=CCC1 ZINC000875728896 590169747 /nfs/dbraw/zinc/16/97/47/590169747.db2.gz GIPRUFZNYNANEJ-NXEZZACHSA-N 1 2 232.287 0.826 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC1(CCO)CC1 ZINC000876305896 590194436 /nfs/dbraw/zinc/19/44/36/590194436.db2.gz XCRXZDFEFOFTGQ-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC1OCCO1 ZINC000125890662 590194896 /nfs/dbraw/zinc/19/48/96/590194896.db2.gz LVFIDDJYCLJONN-XLKFXECMSA-N 1 2 221.322 0.058 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)CC1OCCO1 ZINC000125890662 590194895 /nfs/dbraw/zinc/19/48/95/590194895.db2.gz LVFIDDJYCLJONN-XLKFXECMSA-N 1 2 221.322 0.058 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC1OCCO1 ZINC000125890421 590196341 /nfs/dbraw/zinc/19/63/41/590196341.db2.gz LVFIDDJYCLJONN-RMLUDKJBSA-N 1 2 221.322 0.058 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC1OCCO1 ZINC000125890421 590196342 /nfs/dbraw/zinc/19/63/42/590196342.db2.gz LVFIDDJYCLJONN-RMLUDKJBSA-N 1 2 221.322 0.058 20 0 BCADLO Cn1ncc2cc(C[NH+]3CCOCC3)cnc21 ZINC000876509837 590205476 /nfs/dbraw/zinc/20/54/76/590205476.db2.gz MDDKBIMZWFUXQT-UHFFFAOYSA-N 1 2 232.287 0.801 20 0 BCADLO CN(C)c1ccc(F)cc1C[N@H+](C)CC(N)=O ZINC000876566801 590216918 /nfs/dbraw/zinc/21/69/18/590216918.db2.gz UBTNZOLIENVFOU-UHFFFAOYSA-N 1 2 239.294 0.809 20 0 BCADLO CN(C)c1ccc(F)cc1C[N@@H+](C)CC(N)=O ZINC000876566801 590216919 /nfs/dbraw/zinc/21/69/19/590216919.db2.gz UBTNZOLIENVFOU-UHFFFAOYSA-N 1 2 239.294 0.809 20 0 BCADLO CCC[C@H](C[N@H+](C)CCS(C)(=O)=O)OC ZINC000876585160 590218551 /nfs/dbraw/zinc/21/85/51/590218551.db2.gz BDUWDIVUQYKHSK-SNVBAGLBSA-N 1 2 237.365 0.778 20 0 BCADLO CO[C@@H](C[NH2+]Cc1ncnn1C)C(F)(F)F ZINC000877026495 590271112 /nfs/dbraw/zinc/27/11/12/590271112.db2.gz DETWQFZGCMGHBB-LURJTMIESA-N 1 2 238.213 0.482 20 0 BCADLO COC(=O)N1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000877098466 590282659 /nfs/dbraw/zinc/28/26/59/590282659.db2.gz QRVBKWOBULOETF-UHFFFAOYSA-N 1 2 225.248 0.523 20 0 BCADLO CCn1ncnc1C[NH2+]C1COC(C)(C)OC1 ZINC000877338767 590318247 /nfs/dbraw/zinc/31/82/47/590318247.db2.gz MMEJPGDFAOULEW-UHFFFAOYSA-N 1 2 240.307 0.539 20 0 BCADLO CC1C[NH+](Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000877487428 590338987 /nfs/dbraw/zinc/33/89/87/590338987.db2.gz FQUGCZNLRSIKRZ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000877487178 590339229 /nfs/dbraw/zinc/33/92/29/590339229.db2.gz VXPLJFUNCJRTSD-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000877487178 590339234 /nfs/dbraw/zinc/33/92/34/590339234.db2.gz VXPLJFUNCJRTSD-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CC1C[NH+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877489120 590339259 /nfs/dbraw/zinc/33/92/59/590339259.db2.gz QSPFOLDHYUMWCF-UHFFFAOYSA-N 1 2 240.328 0.786 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@@H](C)CO)nn1 ZINC000877526876 590347715 /nfs/dbraw/zinc/34/77/15/590347715.db2.gz MJMWOOUXXQCQKM-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@H+](C)[C@H](C)CO)nn1 ZINC000877526874 590347569 /nfs/dbraw/zinc/34/75/69/590347569.db2.gz MJMWOOUXXQCQKM-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@H](C)CO)nn1 ZINC000877526874 590347571 /nfs/dbraw/zinc/34/75/71/590347571.db2.gz MJMWOOUXXQCQKM-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1cc(C[N@@H+](C)[C@@H](C)CO)nn1 ZINC000877526876 590347717 /nfs/dbraw/zinc/34/77/17/590347717.db2.gz MJMWOOUXXQCQKM-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CC1(O)C[NH+](Cc2cnn3ccccc23)C1 ZINC000877580923 590365675 /nfs/dbraw/zinc/36/56/75/590365675.db2.gz JNWZHCGFUKXQCM-UHFFFAOYSA-N 1 2 217.272 0.901 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877596756 590369588 /nfs/dbraw/zinc/36/95/88/590369588.db2.gz SLUIMEXSTWCWIS-NXEZZACHSA-N 1 2 242.319 0.842 20 0 BCADLO O=C1NCC2(C[NH+](CCC[C@@H]3CCO3)C2)O1 ZINC000877596180 590370227 /nfs/dbraw/zinc/37/02/27/590370227.db2.gz ISPOPVDCHFDZEN-SECBINFHSA-N 1 2 226.276 0.350 20 0 BCADLO CCONC(=O)C[NH2+]CCC1CCOCC1 ZINC000877614053 590373240 /nfs/dbraw/zinc/37/32/40/590373240.db2.gz UOGSATWPYXXDSN-UHFFFAOYSA-N 1 2 230.308 0.460 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000877613875 590373919 /nfs/dbraw/zinc/37/39/19/590373919.db2.gz RTPWYTKOPCFFPH-VIFPVBQESA-N 1 2 238.291 0.065 20 0 BCADLO Cc1cc(C[NH2+]C2CN(c3ccncn3)C2)no1 ZINC000877701897 590395197 /nfs/dbraw/zinc/39/51/97/590395197.db2.gz CKDYCWIITJDVGX-UHFFFAOYSA-N 1 2 245.286 0.751 20 0 BCADLO CCOC(=O)C[NH2+][C@](C)(CC(=O)OC)C1CC1 ZINC000877706208 590397975 /nfs/dbraw/zinc/39/79/75/590397975.db2.gz BZUTXAQNPSYTID-GFCCVEGCSA-N 1 2 243.303 0.871 20 0 BCADLO CC[C@H](C)[C@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877770168 590421643 /nfs/dbraw/zinc/42/16/43/590421643.db2.gz BETQAORGXRVHLH-UWVGGRQHSA-N 1 2 245.319 0.267 20 0 BCADLO CC[C@@H](C)[C@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877770172 590421655 /nfs/dbraw/zinc/42/16/55/590421655.db2.gz BETQAORGXRVHLH-ZJUUUORDSA-N 1 2 245.319 0.267 20 0 BCADLO CCC[C@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877771048 590422355 /nfs/dbraw/zinc/42/23/55/590422355.db2.gz OTTYIVBJGWVEFW-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CONC(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000877785952 590423789 /nfs/dbraw/zinc/42/37/89/590423789.db2.gz NRICBCXSYCUKBI-UHFFFAOYSA-N 1 2 239.275 0.564 20 0 BCADLO Cc1[nH]ncc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877783243 590424004 /nfs/dbraw/zinc/42/40/04/590424004.db2.gz LCHLADAIYLZRKM-UHFFFAOYSA-N 1 2 248.330 0.820 20 0 BCADLO CO[C@@H](C)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000877790883 590424087 /nfs/dbraw/zinc/42/40/87/590424087.db2.gz XNXSRZTYVWHWPI-VFZGTOFNSA-N 1 2 235.353 0.230 20 0 BCADLO Cn1nnnc1C1CC[NH+](Cc2cocn2)CC1 ZINC000877780943 590424298 /nfs/dbraw/zinc/42/42/98/590424298.db2.gz KXKDHFUIOOIAON-UHFFFAOYSA-N 1 2 248.290 0.578 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)CCS(N)(=O)=O)o1 ZINC000877825995 590428505 /nfs/dbraw/zinc/42/85/05/590428505.db2.gz LTKZHUYKMIROLC-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)CCS(N)(=O)=O)o1 ZINC000877825995 590428506 /nfs/dbraw/zinc/42/85/06/590428506.db2.gz LTKZHUYKMIROLC-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)sn1 ZINC000877826471 590429339 /nfs/dbraw/zinc/42/93/39/590429339.db2.gz CFJRRPFKTIFEIL-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)sn1 ZINC000877826471 590429340 /nfs/dbraw/zinc/42/93/40/590429340.db2.gz CFJRRPFKTIFEIL-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO C[C@H]1CCC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000877935339 590452343 /nfs/dbraw/zinc/45/23/43/590452343.db2.gz RHQAFWVOWCEFBJ-VIFPVBQESA-N 1 2 247.302 0.650 20 0 BCADLO C[C@H]1CCC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000877935339 590452345 /nfs/dbraw/zinc/45/23/45/590452345.db2.gz RHQAFWVOWCEFBJ-VIFPVBQESA-N 1 2 247.302 0.650 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H](O)CC(C)(C)O)no1 ZINC000877956919 590457318 /nfs/dbraw/zinc/45/73/18/590457318.db2.gz DBNPOVDZODNQLD-LLVKDONJSA-N 1 2 242.319 0.937 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H](O)CC(C)(C)O)no1 ZINC000877956919 590457321 /nfs/dbraw/zinc/45/73/21/590457321.db2.gz DBNPOVDZODNQLD-LLVKDONJSA-N 1 2 242.319 0.937 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC000877992232 590468006 /nfs/dbraw/zinc/46/80/06/590468006.db2.gz RRTABVLMHKMWLG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nocc1C ZINC000877992232 590468008 /nfs/dbraw/zinc/46/80/08/590468008.db2.gz RRTABVLMHKMWLG-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]2CCNC2=O)cc[nH+]1 ZINC000878009370 590471872 /nfs/dbraw/zinc/47/18/72/590471872.db2.gz YDLBPQFQJVEJRJ-VIFPVBQESA-N 1 2 233.271 0.277 20 0 BCADLO CCOC(=O)N1CCC[N@H+](CC(C)=O)CC1 ZINC000878017837 590472713 /nfs/dbraw/zinc/47/27/13/590472713.db2.gz OTGMQBYBRYAWFK-UHFFFAOYSA-N 1 2 228.292 0.740 20 0 BCADLO CCOC(=O)N1CCC[N@@H+](CC(C)=O)CC1 ZINC000878017837 590472715 /nfs/dbraw/zinc/47/27/15/590472715.db2.gz OTGMQBYBRYAWFK-UHFFFAOYSA-N 1 2 228.292 0.740 20 0 BCADLO CCC[N@H+](CCn1cnnn1)CC(F)F ZINC000878032818 590476435 /nfs/dbraw/zinc/47/64/35/590476435.db2.gz OVHRBQGFZVAKFV-UHFFFAOYSA-N 1 2 219.239 0.650 20 0 BCADLO CCC[N@@H+](CCn1cnnn1)CC(F)F ZINC000878032818 590476437 /nfs/dbraw/zinc/47/64/37/590476437.db2.gz OVHRBQGFZVAKFV-UHFFFAOYSA-N 1 2 219.239 0.650 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCCOC(F)(F)F ZINC000878041112 590477854 /nfs/dbraw/zinc/47/78/54/590477854.db2.gz SBSHPIAUDVQMLJ-SSDOTTSWSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOC(F)(F)F ZINC000878041112 590477856 /nfs/dbraw/zinc/47/78/56/590477856.db2.gz SBSHPIAUDVQMLJ-SSDOTTSWSA-N 1 2 240.225 0.733 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nccn1CC(F)F ZINC000878129297 590503170 /nfs/dbraw/zinc/50/31/70/590503170.db2.gz MXCBXNRONMXXOI-QMMMGPOBSA-N 1 2 233.262 0.961 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878129297 590503172 /nfs/dbraw/zinc/50/31/72/590503172.db2.gz MXCBXNRONMXXOI-QMMMGPOBSA-N 1 2 233.262 0.961 20 0 BCADLO Cc1conc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000878260570 590530653 /nfs/dbraw/zinc/53/06/53/590530653.db2.gz BPUQNJWVKBWXKV-SECBINFHSA-N 1 2 225.292 0.973 20 0 BCADLO C[C@@H]1COCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000878298801 590537939 /nfs/dbraw/zinc/53/79/39/590537939.db2.gz LTWQHCACOCDRIJ-NSHDSACASA-N 1 2 249.314 0.988 20 0 BCADLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000878298801 590537942 /nfs/dbraw/zinc/53/79/42/590537942.db2.gz LTWQHCACOCDRIJ-NSHDSACASA-N 1 2 249.314 0.988 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)CCN1C ZINC000878316668 590543060 /nfs/dbraw/zinc/54/30/60/590543060.db2.gz LDHNPTHLNOMWQC-LLVKDONJSA-N 1 2 220.320 0.655 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)CCN1C ZINC000878316668 590543061 /nfs/dbraw/zinc/54/30/61/590543061.db2.gz LDHNPTHLNOMWQC-LLVKDONJSA-N 1 2 220.320 0.655 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC000878476264 590573163 /nfs/dbraw/zinc/57/31/63/590573163.db2.gz YEAVGRJGBVFFBL-MNOVXSKESA-N 1 2 229.320 0.935 20 0 BCADLO Cc1conc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000878554543 590591706 /nfs/dbraw/zinc/59/17/06/590591706.db2.gz DTZHVIAJIQBMOD-GMSGAONNSA-N 1 2 223.276 0.597 20 0 BCADLO FC(F)[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000878560607 590592191 /nfs/dbraw/zinc/59/21/91/590592191.db2.gz FGKZIJQMWDWOJB-JTQLQIEISA-N 1 2 243.257 0.985 20 0 BCADLO FC(F)[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000878560607 590592192 /nfs/dbraw/zinc/59/21/92/590592192.db2.gz FGKZIJQMWDWOJB-JTQLQIEISA-N 1 2 243.257 0.985 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nccn1CC(F)F ZINC000878611640 590593412 /nfs/dbraw/zinc/59/34/12/590593412.db2.gz ANIGEDAYBQRMRO-UHFFFAOYSA-N 1 2 246.261 0.455 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nccn1CC(F)F ZINC000878611640 590593413 /nfs/dbraw/zinc/59/34/13/590593413.db2.gz ANIGEDAYBQRMRO-UHFFFAOYSA-N 1 2 246.261 0.455 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663964 590605593 /nfs/dbraw/zinc/60/55/93/590605593.db2.gz UXGLGXANACCJCW-VIFPVBQESA-N 1 2 214.265 0.348 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663964 590605595 /nfs/dbraw/zinc/60/55/95/590605595.db2.gz UXGLGXANACCJCW-VIFPVBQESA-N 1 2 214.265 0.348 20 0 BCADLO CC1(C)COC[C@@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878683734 590609639 /nfs/dbraw/zinc/60/96/39/590609639.db2.gz GZAWULDOVZNJQR-QMMMGPOBSA-N 1 2 248.348 0.255 20 0 BCADLO C=C/C=C/CC[NH2+][C@](C)(CO)C(=O)OC ZINC000878700000 590611750 /nfs/dbraw/zinc/61/17/50/590611750.db2.gz ZRLKYDNFNIFJPM-MVIFTORASA-N 1 2 213.277 0.632 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC[S@](C)=O ZINC000878751611 590618496 /nfs/dbraw/zinc/61/84/96/590618496.db2.gz BIXVUGWXVCNISE-LLZONULXSA-N 1 2 246.376 0.304 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC[S@](C)=O ZINC000878751611 590618498 /nfs/dbraw/zinc/61/84/98/590618498.db2.gz BIXVUGWXVCNISE-LLZONULXSA-N 1 2 246.376 0.304 20 0 BCADLO O=C1CNC(=O)N1CC[N@H+]1CCC=C(Cl)C1 ZINC000878793521 590624234 /nfs/dbraw/zinc/62/42/34/590624234.db2.gz FSJGMSMEKPLPOM-UHFFFAOYSA-N 1 2 243.694 0.367 20 0 BCADLO O=C1CNC(=O)N1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878793521 590624235 /nfs/dbraw/zinc/62/42/35/590624235.db2.gz FSJGMSMEKPLPOM-UHFFFAOYSA-N 1 2 243.694 0.367 20 0 BCADLO Cl/C=C/C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000878807876 590626567 /nfs/dbraw/zinc/62/65/67/590626567.db2.gz JTPRVKGMYDTEJM-OWOJBTEDSA-N 1 2 241.726 0.675 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)CC(C)(C)O ZINC000878885080 590639680 /nfs/dbraw/zinc/63/96/80/590639680.db2.gz UWXCJSDEFZAOHI-JTQLQIEISA-N 1 2 227.308 0.363 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)CC(C)(C)O ZINC000878885080 590639681 /nfs/dbraw/zinc/63/96/81/590639681.db2.gz UWXCJSDEFZAOHI-JTQLQIEISA-N 1 2 227.308 0.363 20 0 BCADLO Cn1cc(C2=CCC[N@@H+]([C@H]3CCOC3=O)C2)cn1 ZINC000878906285 590645720 /nfs/dbraw/zinc/64/57/20/590645720.db2.gz UEXMJTPAGUKKJM-LBPRGKRZSA-N 1 2 247.298 0.825 20 0 BCADLO Cn1cc(C2=CCC[N@H+]([C@H]3CCOC3=O)C2)cn1 ZINC000878906285 590645721 /nfs/dbraw/zinc/64/57/21/590645721.db2.gz UEXMJTPAGUKKJM-LBPRGKRZSA-N 1 2 247.298 0.825 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCO[C@H](OC)C1 ZINC000878970572 590664416 /nfs/dbraw/zinc/66/44/16/590664416.db2.gz UJFQIIWSRQNSSK-JTQLQIEISA-N 1 2 245.319 0.880 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCO[C@H](OC)C1 ZINC000878970572 590664420 /nfs/dbraw/zinc/66/44/20/590664420.db2.gz UJFQIIWSRQNSSK-JTQLQIEISA-N 1 2 245.319 0.880 20 0 BCADLO COC(=O)NC1CC[NH+](CC(C)=O)CC1 ZINC000879006647 590675291 /nfs/dbraw/zinc/67/52/91/590675291.db2.gz YIQWLBUMURQXMS-UHFFFAOYSA-N 1 2 214.265 0.396 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2cnon2)CC1 ZINC000879045178 590685701 /nfs/dbraw/zinc/68/57/01/590685701.db2.gz WMSDUTJZBYNGEA-SECBINFHSA-N 1 2 242.254 0.105 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1COCO1 ZINC000879073035 590692512 /nfs/dbraw/zinc/69/25/12/590692512.db2.gz LBATZLSTFYVROE-VIFPVBQESA-N 1 2 237.259 0.306 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CC(OC)OC ZINC000127541384 590703230 /nfs/dbraw/zinc/70/32/30/590703230.db2.gz FTYRNHJQJMHITH-QMMMGPOBSA-N 1 2 217.265 0.243 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CC(OC)OC ZINC000127541384 590703233 /nfs/dbraw/zinc/70/32/33/590703233.db2.gz FTYRNHJQJMHITH-QMMMGPOBSA-N 1 2 217.265 0.243 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000879188114 590710251 /nfs/dbraw/zinc/71/02/51/590710251.db2.gz HLMJMBZNVNXZOH-UHFFFAOYSA-N 1 2 226.280 0.170 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnon2)[C@](C)(CO)C1 ZINC000879261574 590725014 /nfs/dbraw/zinc/72/50/14/590725014.db2.gz MTLLSPJPIMXFHE-UWVGGRQHSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnon2)[C@](C)(CO)C1 ZINC000879261574 590725015 /nfs/dbraw/zinc/72/50/15/590725015.db2.gz MTLLSPJPIMXFHE-UWVGGRQHSA-N 1 2 227.264 0.041 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nnnn2C)C1 ZINC000879322812 590738135 /nfs/dbraw/zinc/73/81/35/590738135.db2.gz YBFAHGAELASAQA-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnnn2C)C1 ZINC000879322812 590738137 /nfs/dbraw/zinc/73/81/37/590738137.db2.gz YBFAHGAELASAQA-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO CC(C)([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCCO1 ZINC000879406070 590761974 /nfs/dbraw/zinc/76/19/74/590761974.db2.gz LDBWWWVGMDQTMS-QMMMGPOBSA-N 1 2 240.307 0.948 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536736 590797086 /nfs/dbraw/zinc/79/70/86/590797086.db2.gz PGKZQIKDYMLFMJ-OCAPTIKFSA-N 1 2 246.257 0.578 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536736 590797088 /nfs/dbraw/zinc/79/70/88/590797088.db2.gz PGKZQIKDYMLFMJ-OCAPTIKFSA-N 1 2 246.257 0.578 20 0 BCADLO CC(C)[C@H]1CN(CCS(C)(=O)=O)CC[N@@H+]1C ZINC000879599464 590826317 /nfs/dbraw/zinc/82/63/17/590826317.db2.gz ULUDYSSVZBCCJZ-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1CN(CCS(C)(=O)=O)CC[N@H+]1C ZINC000879599464 590826321 /nfs/dbraw/zinc/82/63/21/590826321.db2.gz ULUDYSSVZBCCJZ-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1C[N@H+](CCS(C)(=O)=O)CCN1C ZINC000879599464 590826328 /nfs/dbraw/zinc/82/63/28/590826328.db2.gz ULUDYSSVZBCCJZ-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CCS(C)(=O)=O)CCN1C ZINC000879599464 590826331 /nfs/dbraw/zinc/82/63/31/590826331.db2.gz ULUDYSSVZBCCJZ-LLVKDONJSA-N 1 2 248.392 0.303 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)o1 ZINC000879616561 590832524 /nfs/dbraw/zinc/83/25/24/590832524.db2.gz WRQCAFCEJXDATJ-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)o1 ZINC000879616561 590832528 /nfs/dbraw/zinc/83/25/28/590832528.db2.gz WRQCAFCEJXDATJ-VIFPVBQESA-N 1 2 225.292 0.971 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621206 590834374 /nfs/dbraw/zinc/83/43/74/590834374.db2.gz BDSQBRZGTYSWEA-BDAKNGLRSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621206 590834380 /nfs/dbraw/zinc/83/43/80/590834380.db2.gz BDSQBRZGTYSWEA-BDAKNGLRSA-N 1 2 239.323 0.364 20 0 BCADLO CCN1OC[C@H]([N@@H+]2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879622118 590835975 /nfs/dbraw/zinc/83/59/75/590835975.db2.gz HKQJWNXTQSBWPW-ZJUUUORDSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@H]([N@H+]2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879622118 590835978 /nfs/dbraw/zinc/83/59/78/590835978.db2.gz HKQJWNXTQSBWPW-ZJUUUORDSA-N 1 2 242.319 0.242 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624351 590838165 /nfs/dbraw/zinc/83/81/65/590838165.db2.gz RKPMFILIIBTELL-VIFPVBQESA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624351 590838168 /nfs/dbraw/zinc/83/81/68/590838168.db2.gz RKPMFILIIBTELL-VIFPVBQESA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nc(NC(=O)NCc2c[nH+]cn2C)nn1C ZINC000879646987 590841780 /nfs/dbraw/zinc/84/17/80/590841780.db2.gz MOISLOQPKSNDTF-UHFFFAOYSA-N 1 2 249.278 0.179 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@H]12 ZINC000879721846 590854888 /nfs/dbraw/zinc/85/48/88/590854888.db2.gz JFQPHOWFHVGRMK-IMDSDMBUSA-N 1 2 244.722 0.718 20 0 BCADLO O=C1NCCO[C@@H]2CCC[N@H+](C/C=C\Cl)[C@H]12 ZINC000879721846 590854890 /nfs/dbraw/zinc/85/48/90/590854890.db2.gz JFQPHOWFHVGRMK-IMDSDMBUSA-N 1 2 244.722 0.718 20 0 BCADLO CCCNc1cc(N2CCNC(=O)C2)nc[nH+]1 ZINC000128074198 590886634 /nfs/dbraw/zinc/88/66/34/590886634.db2.gz SNNVCPHMQGKSHB-UHFFFAOYSA-N 1 2 235.291 0.235 20 0 BCADLO CCCNc1cc(N2CCNC(=O)C2)[nH+]cn1 ZINC000128074198 590886636 /nfs/dbraw/zinc/88/66/36/590886636.db2.gz SNNVCPHMQGKSHB-UHFFFAOYSA-N 1 2 235.291 0.235 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](C)O ZINC000879981434 590901051 /nfs/dbraw/zinc/90/10/51/590901051.db2.gz PRYVRYNIRIIHNM-WPRPVWTQSA-N 1 2 215.293 0.689 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](C)CO ZINC000879982918 590902406 /nfs/dbraw/zinc/90/24/06/590902406.db2.gz PIOGTNMBLCTUFS-KOLCDFICSA-N 1 2 229.320 0.936 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCOC ZINC000879983105 590902463 /nfs/dbraw/zinc/90/24/63/590902463.db2.gz TXASBEBWUWHTEB-JTQLQIEISA-N 1 2 215.293 0.954 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999431 590906511 /nfs/dbraw/zinc/90/65/11/590906511.db2.gz DKZIQLDAFKUZJO-QMMMGPOBSA-N 1 2 249.240 0.984 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999431 590906514 /nfs/dbraw/zinc/90/65/14/590906514.db2.gz DKZIQLDAFKUZJO-QMMMGPOBSA-N 1 2 249.240 0.984 20 0 BCADLO CNC(=O)C[NH+](CCC=C(C)C)CC(=O)NC ZINC000880153711 590946599 /nfs/dbraw/zinc/94/65/99/590946599.db2.gz SWOLVXLTETUXMC-UHFFFAOYSA-N 1 2 241.335 0.137 20 0 BCADLO CC[C@H](C)C[N@@H+]1CC(=O)NCC12COC2 ZINC000880163350 590948027 /nfs/dbraw/zinc/94/80/27/590948027.db2.gz JDIKSURGVAFOHF-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO CC[C@H](C)C[N@H+]1CC(=O)NCC12COC2 ZINC000880163350 590948028 /nfs/dbraw/zinc/94/80/28/590948028.db2.gz JDIKSURGVAFOHF-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO O=C1CC2(CCC2)[N@H+](Cc2ncccn2)CCN1 ZINC000880167178 590949451 /nfs/dbraw/zinc/94/94/51/590949451.db2.gz IRHVHFGFCPYZCV-UHFFFAOYSA-N 1 2 246.314 0.721 20 0 BCADLO O=C1CC2(CCC2)[N@@H+](Cc2ncccn2)CCN1 ZINC000880167178 590949453 /nfs/dbraw/zinc/94/94/53/590949453.db2.gz IRHVHFGFCPYZCV-UHFFFAOYSA-N 1 2 246.314 0.721 20 0 BCADLO COCC1([N@H+](C)Cc2n[nH]c(=O)[nH]2)CCC1 ZINC000880185996 590953530 /nfs/dbraw/zinc/95/35/30/590953530.db2.gz LWXRQSRIZPBGGG-UHFFFAOYSA-N 1 2 226.280 0.511 20 0 BCADLO COCC1([N@@H+](C)Cc2n[nH]c(=O)[nH]2)CCC1 ZINC000880185996 590953531 /nfs/dbraw/zinc/95/35/31/590953531.db2.gz LWXRQSRIZPBGGG-UHFFFAOYSA-N 1 2 226.280 0.511 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)COC1CC1 ZINC000880190800 590955151 /nfs/dbraw/zinc/95/51/51/590955151.db2.gz YNTQULQENFJTNB-UHFFFAOYSA-N 1 2 223.276 0.698 20 0 BCADLO O=C(C[NH+]1CCC(F)CC1)Nc1cnccn1 ZINC000880238269 590970119 /nfs/dbraw/zinc/97/01/19/590970119.db2.gz DCOAGLWGXMIMPK-UHFFFAOYSA-N 1 2 238.266 0.849 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000880305871 590999032 /nfs/dbraw/zinc/99/90/32/590999032.db2.gz ZTCDIXRLSOQOIX-XPUUQOCRSA-N 1 2 240.225 0.513 20 0 BCADLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000880305871 590999034 /nfs/dbraw/zinc/99/90/34/590999034.db2.gz ZTCDIXRLSOQOIX-XPUUQOCRSA-N 1 2 240.225 0.513 20 0 BCADLO CCOCC[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880333367 591007435 /nfs/dbraw/zinc/00/74/35/591007435.db2.gz CQFYHYXQNVGHNN-NSHDSACASA-N 1 2 245.319 0.581 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880426812 591031996 /nfs/dbraw/zinc/03/19/96/591031996.db2.gz XLEQSPJCUWGYPZ-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880426812 591032001 /nfs/dbraw/zinc/03/20/01/591032001.db2.gz XLEQSPJCUWGYPZ-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880426811 591032144 /nfs/dbraw/zinc/03/21/44/591032144.db2.gz XLEQSPJCUWGYPZ-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880426811 591032149 /nfs/dbraw/zinc/03/21/49/591032149.db2.gz XLEQSPJCUWGYPZ-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cnon1 ZINC000880435035 591037455 /nfs/dbraw/zinc/03/74/55/591037455.db2.gz IGZGCJSJSHESLX-NXEZZACHSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1cnon1 ZINC000880435035 591037460 /nfs/dbraw/zinc/03/74/60/591037460.db2.gz IGZGCJSJSHESLX-NXEZZACHSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000880437323 591039641 /nfs/dbraw/zinc/03/96/41/591039641.db2.gz JFUYGLQMPBRQOM-QWRGUYRKSA-N 1 2 240.307 0.051 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000880437323 591039645 /nfs/dbraw/zinc/03/96/45/591039645.db2.gz JFUYGLQMPBRQOM-QWRGUYRKSA-N 1 2 240.307 0.051 20 0 BCADLO CCc1nc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880440351 591041879 /nfs/dbraw/zinc/04/18/79/591041879.db2.gz AWDLJVFTBCUCRL-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880440351 591041883 /nfs/dbraw/zinc/04/18/83/591041883.db2.gz AWDLJVFTBCUCRL-IUCAKERBSA-N 1 2 225.292 0.977 20 0 BCADLO Cc1nocc1NC(=O)CC[NH+]1CCOCC1 ZINC000880449180 591047859 /nfs/dbraw/zinc/04/78/59/591047859.db2.gz SAYFTXRJYGENLF-UHFFFAOYSA-N 1 2 239.275 0.644 20 0 BCADLO O=c1cc(C[N@H+]2CC=C[C@@H]2CO)occ1O ZINC000880486032 591060989 /nfs/dbraw/zinc/06/09/89/591060989.db2.gz JSHQRTARKAYITK-MRVPVSSYSA-N 1 2 223.228 0.078 20 0 BCADLO O=c1cc(C[N@@H+]2CC=C[C@@H]2CO)occ1O ZINC000880486032 591060993 /nfs/dbraw/zinc/06/09/93/591060993.db2.gz JSHQRTARKAYITK-MRVPVSSYSA-N 1 2 223.228 0.078 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880488455 591064316 /nfs/dbraw/zinc/06/43/16/591064316.db2.gz FVZIJFKBFYPAMF-JTQLQIEISA-N 1 2 213.277 0.418 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880488455 591064320 /nfs/dbraw/zinc/06/43/20/591064320.db2.gz FVZIJFKBFYPAMF-JTQLQIEISA-N 1 2 213.277 0.418 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880488367 591064811 /nfs/dbraw/zinc/06/48/11/591064811.db2.gz CZUQRRCOWFNWDE-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880488367 591064814 /nfs/dbraw/zinc/06/48/14/591064814.db2.gz CZUQRRCOWFNWDE-SNVBAGLBSA-N 1 2 235.287 0.477 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cncc(F)c1 ZINC000880488627 591065906 /nfs/dbraw/zinc/06/59/06/591065906.db2.gz IMMDCPKDSVPZJK-LLVKDONJSA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cncc(F)c1 ZINC000880488627 591065911 /nfs/dbraw/zinc/06/59/11/591065911.db2.gz IMMDCPKDSVPZJK-LLVKDONJSA-N 1 2 208.236 0.953 20 0 BCADLO COc1cc(C[N@@H+]2CC=C[C@@H]2CO)sn1 ZINC000880490489 591066284 /nfs/dbraw/zinc/06/62/84/591066284.db2.gz AIFLJVFIRBEZKN-MRVPVSSYSA-N 1 2 226.301 0.884 20 0 BCADLO COc1cc(C[N@H+]2CC=C[C@@H]2CO)sn1 ZINC000880490489 591066288 /nfs/dbraw/zinc/06/62/88/591066288.db2.gz AIFLJVFIRBEZKN-MRVPVSSYSA-N 1 2 226.301 0.884 20 0 BCADLO COc1cc(C[N@@H+]2CC=C[C@H]2CO)sn1 ZINC000880490490 591066921 /nfs/dbraw/zinc/06/69/21/591066921.db2.gz AIFLJVFIRBEZKN-QMMMGPOBSA-N 1 2 226.301 0.884 20 0 BCADLO COc1cc(C[N@H+]2CC=C[C@H]2CO)sn1 ZINC000880490490 591066923 /nfs/dbraw/zinc/06/69/23/591066923.db2.gz AIFLJVFIRBEZKN-QMMMGPOBSA-N 1 2 226.301 0.884 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC=C[C@H]1CO ZINC000880492296 591069696 /nfs/dbraw/zinc/06/96/96/591069696.db2.gz PSMPEFSCBJTYTL-QMMMGPOBSA-N 1 2 211.290 0.579 20 0 BCADLO Cc1nnsc1C[N@H+]1CC=C[C@H]1CO ZINC000880492296 591069700 /nfs/dbraw/zinc/06/97/00/591069700.db2.gz PSMPEFSCBJTYTL-QMMMGPOBSA-N 1 2 211.290 0.579 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880492671 591070916 /nfs/dbraw/zinc/07/09/16/591070916.db2.gz UUEYXKLQHAHJKE-SNVBAGLBSA-N 1 2 236.319 0.766 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1CC=C[C@@H]1CO ZINC000880492671 591070919 /nfs/dbraw/zinc/07/09/19/591070919.db2.gz UUEYXKLQHAHJKE-SNVBAGLBSA-N 1 2 236.319 0.766 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC=C[C@H]2CO)nn1 ZINC000880493341 591070967 /nfs/dbraw/zinc/07/09/67/591070967.db2.gz ATLUHIQGMYEAHF-NSHDSACASA-N 1 2 236.319 0.766 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC=C[C@H]2CO)nn1 ZINC000880493341 591070972 /nfs/dbraw/zinc/07/09/72/591070972.db2.gz ATLUHIQGMYEAHF-NSHDSACASA-N 1 2 236.319 0.766 20 0 BCADLO O=C1NCC[C@@H]2CCC[N@H+](Cc3ccno3)[C@H]12 ZINC000880529777 591085769 /nfs/dbraw/zinc/08/57/69/591085769.db2.gz NBQPUVMUIVQWTI-ONGXEEELSA-N 1 2 235.287 0.775 20 0 BCADLO O=C1NCC[C@@H]2CCC[N@@H+](Cc3ccno3)[C@H]12 ZINC000880529777 591085772 /nfs/dbraw/zinc/08/57/72/591085772.db2.gz NBQPUVMUIVQWTI-ONGXEEELSA-N 1 2 235.287 0.775 20 0 BCADLO c1nn[nH]c1C[NH+]1CCC2(CC1)COCCO2 ZINC000880546253 591087788 /nfs/dbraw/zinc/08/77/88/591087788.db2.gz KLVUZQNGXBCGKR-UHFFFAOYSA-N 1 2 238.291 0.186 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC000880565101 591093532 /nfs/dbraw/zinc/09/35/32/591093532.db2.gz WMFRPCSYYGRMNV-SNVBAGLBSA-N 1 2 242.300 0.253 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC000880565101 591093535 /nfs/dbraw/zinc/09/35/35/591093535.db2.gz WMFRPCSYYGRMNV-SNVBAGLBSA-N 1 2 242.300 0.253 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1cncn1C ZINC000880590953 591103848 /nfs/dbraw/zinc/10/38/48/591103848.db2.gz RNMDHMUBAKFBPZ-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1cncn1C ZINC000880590953 591103849 /nfs/dbraw/zinc/10/38/49/591103849.db2.gz RNMDHMUBAKFBPZ-NSHDSACASA-N 1 2 238.335 0.752 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880593758 591104972 /nfs/dbraw/zinc/10/49/72/591104972.db2.gz CWCHWEKBFNFRAO-SNVBAGLBSA-N 1 2 248.330 0.749 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880593758 591104973 /nfs/dbraw/zinc/10/49/73/591104973.db2.gz CWCHWEKBFNFRAO-SNVBAGLBSA-N 1 2 248.330 0.749 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCc2ncncc2C1 ZINC000880596043 591105439 /nfs/dbraw/zinc/10/54/39/591105439.db2.gz YIXYJAYKSQLDBL-UHFFFAOYSA-N 1 2 234.303 0.313 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCc2ncncc2C1 ZINC000880596043 591105445 /nfs/dbraw/zinc/10/54/45/591105445.db2.gz YIXYJAYKSQLDBL-UHFFFAOYSA-N 1 2 234.303 0.313 20 0 BCADLO c1n[nH]nc1C[N@@H+]1CCc2ncncc2C1 ZINC000880597620 591106381 /nfs/dbraw/zinc/10/63/81/591106381.db2.gz AHOUNRLQWXZWPM-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO c1n[nH]nc1C[N@H+]1CCc2ncncc2C1 ZINC000880597620 591106383 /nfs/dbraw/zinc/10/63/83/591106383.db2.gz AHOUNRLQWXZWPM-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO c1[nH]nnc1C[N@@H+]1CCc2ncncc2C1 ZINC000880597620 591106385 /nfs/dbraw/zinc/10/63/85/591106385.db2.gz AHOUNRLQWXZWPM-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO c1[nH]nnc1C[N@H+]1CCc2ncncc2C1 ZINC000880597620 591106387 /nfs/dbraw/zinc/10/63/87/591106387.db2.gz AHOUNRLQWXZWPM-UHFFFAOYSA-N 1 2 216.248 0.153 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CSC1 ZINC000880728177 591129813 /nfs/dbraw/zinc/12/98/13/591129813.db2.gz XNCUGWBMPHCCTF-SSDOTTSWSA-N 1 2 225.317 0.820 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CSC1 ZINC000880728177 591129816 /nfs/dbraw/zinc/12/98/16/591129816.db2.gz XNCUGWBMPHCCTF-SSDOTTSWSA-N 1 2 225.317 0.820 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1CSC1 ZINC000880737121 591134779 /nfs/dbraw/zinc/13/47/79/591134779.db2.gz OSFZGTHCVWOGDE-UHFFFAOYSA-N 1 2 211.290 0.505 20 0 BCADLO COC(=O)Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881312532 591187028 /nfs/dbraw/zinc/18/70/28/591187028.db2.gz MJCDWSCDACOEFE-UHFFFAOYSA-N 1 2 246.270 0.745 20 0 BCADLO COc1cc(C)[nH+]c(Cn2cc(CON)nn2)c1 ZINC000881365197 591196010 /nfs/dbraw/zinc/19/60/10/591196010.db2.gz OKVDSTXIUJQMDW-UHFFFAOYSA-N 1 2 249.274 0.429 20 0 BCADLO CC[C@@H](C(=O)NCc1c[nH+]cn1C)[C@H](C)O ZINC000881450073 591207314 /nfs/dbraw/zinc/20/73/14/591207314.db2.gz QQRXSBHLDNFCGJ-WCBMZHEXSA-N 1 2 225.292 0.443 20 0 BCADLO C=C/C=C/CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000881569027 591243774 /nfs/dbraw/zinc/24/37/74/591243774.db2.gz ZYCCYXZRABHDKC-BTDICHCPSA-N 1 2 238.331 0.956 20 0 BCADLO C=C/C=C/CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000881569027 591243776 /nfs/dbraw/zinc/24/37/76/591243776.db2.gz ZYCCYXZRABHDKC-BTDICHCPSA-N 1 2 238.331 0.956 20 0 BCADLO Cc1ncnc(NCC[NH+]2CCOCC2)c1C ZINC000881737603 591267979 /nfs/dbraw/zinc/26/79/79/591267979.db2.gz DALBHKINLMZSCB-UHFFFAOYSA-N 1 2 236.319 0.838 20 0 BCADLO C[S@](=O)CCNc1cc(CO)cc[nH+]1 ZINC000881989911 591286145 /nfs/dbraw/zinc/28/61/45/591286145.db2.gz URNFCLTYLNMZDK-AWEZNQCLSA-N 1 2 214.290 0.364 20 0 BCADLO Cc1[nH+]cnc(NCC[S@](C)=O)c1C ZINC000881989540 591286249 /nfs/dbraw/zinc/28/62/49/591286249.db2.gz JLTXAVQQWXSCRN-AWEZNQCLSA-N 1 2 213.306 0.884 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033585 591289342 /nfs/dbraw/zinc/28/93/42/591289342.db2.gz ATWHYZUZVXPNNJ-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)C1CCC1 ZINC000882033585 591289344 /nfs/dbraw/zinc/28/93/44/591289344.db2.gz ATWHYZUZVXPNNJ-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CCC2)[C@@H](C)C[N@@H+]1C ZINC000882033589 591289811 /nfs/dbraw/zinc/28/98/11/591289811.db2.gz ATWHYZUZVXPNNJ-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CCC2)[C@@H](C)C[N@H+]1C ZINC000882033589 591289817 /nfs/dbraw/zinc/28/98/17/591289817.db2.gz ATWHYZUZVXPNNJ-ZJUUUORDSA-N 1 2 246.376 0.893 20 0 BCADLO COC[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000882100571 591298171 /nfs/dbraw/zinc/29/81/71/591298171.db2.gz KNJIYTPBDAXDJP-DTORHVGOSA-N 1 2 223.276 0.873 20 0 BCADLO Cc1ncnc(NC[C@@H]2C[NH+]3CCN2CC3)c1C ZINC000882122655 591301462 /nfs/dbraw/zinc/30/14/62/591301462.db2.gz LFGKFIUNISKFTH-GFCCVEGCSA-N 1 2 247.346 0.505 20 0 BCADLO Cc1[nH+]cnc(NC[C@]2(O)CCOC2)c1C ZINC000882133360 591303231 /nfs/dbraw/zinc/30/32/31/591303231.db2.gz NZWUCUZYLYQTRO-LLVKDONJSA-N 1 2 223.276 0.657 20 0 BCADLO COCCOC(=O)CSCc1cn(C)c[nH+]1 ZINC000882160686 591309025 /nfs/dbraw/zinc/30/90/25/591309025.db2.gz UJOBYSQABFLXRW-UHFFFAOYSA-N 1 2 244.316 0.843 20 0 BCADLO Cn1nccc1CCNc1cc(CO)cc[nH+]1 ZINC000882188613 591313735 /nfs/dbraw/zinc/31/37/35/591313735.db2.gz JIDQUDZNGJQLMT-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO COC(=O)[C@@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000882195339 591314661 /nfs/dbraw/zinc/31/46/61/591314661.db2.gz YAVSGMGFFJRNFC-NSHDSACASA-N 1 2 239.275 0.429 20 0 BCADLO Cc1[nH+]cnc(N2CC(CC(N)=O)C2)c1C ZINC000882290547 591326774 /nfs/dbraw/zinc/32/67/74/591326774.db2.gz NWTNADQBEKVNIR-UHFFFAOYSA-N 1 2 220.276 0.405 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2C[C@@]2(O)C1 ZINC000882346688 591335543 /nfs/dbraw/zinc/33/55/43/591335543.db2.gz WRRYHEUKDIWIIV-GIPNMCIBSA-N 1 2 247.298 0.039 20 0 BCADLO CCCOc1cc[nH+]c(N2CCOCCN2)n1 ZINC000882347463 591336160 /nfs/dbraw/zinc/33/61/60/591336160.db2.gz JLEMUURDECKKPE-UHFFFAOYSA-N 1 2 238.291 0.607 20 0 BCADLO O=Cc1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC000882383970 591340141 /nfs/dbraw/zinc/34/01/41/591340141.db2.gz WUMCHKMCGKJXJP-UHFFFAOYSA-N 1 2 229.243 0.506 20 0 BCADLO C[C@@H](NS(=O)(=O)C1CCC1)c1[nH+]ccn1C ZINC000882418937 591345451 /nfs/dbraw/zinc/34/54/51/591345451.db2.gz SQIMOOLPPMJZQZ-MRVPVSSYSA-N 1 2 243.332 0.953 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](O)Cn2ccnn2)c1C ZINC000882442039 591349531 /nfs/dbraw/zinc/34/95/31/591349531.db2.gz BEMBPNZJPNFAJJ-SNVBAGLBSA-N 1 2 248.290 0.158 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H]2COCO2)c1C ZINC000882448892 591350627 /nfs/dbraw/zinc/35/06/27/591350627.db2.gz SMMVGVLLWOPEBJ-SECBINFHSA-N 1 2 209.249 0.878 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC000882483558 591358745 /nfs/dbraw/zinc/35/87/45/591358745.db2.gz FDCAICVVPKMLRT-SSDOTTSWSA-N 1 2 226.305 0.362 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC000882483558 591358748 /nfs/dbraw/zinc/35/87/48/591358748.db2.gz FDCAICVVPKMLRT-SSDOTTSWSA-N 1 2 226.305 0.362 20 0 BCADLO CCON(C)C(=O)CNc1cc(CO)cc[nH+]1 ZINC000882528762 591382245 /nfs/dbraw/zinc/38/22/45/591382245.db2.gz DZWFZWMHCAAMSG-UHFFFAOYSA-N 1 2 239.275 0.396 20 0 BCADLO Cc1[nH+]cnc(N2CCC(CO)(CO)C2)c1C ZINC000882624875 591401695 /nfs/dbraw/zinc/40/16/95/591401695.db2.gz RZFDQYIDTNDEPO-UHFFFAOYSA-N 1 2 237.303 0.275 20 0 BCADLO CON(C)C(=O)[C@H](C)Nc1cc[nH+]cc1F ZINC000882668567 591409172 /nfs/dbraw/zinc/40/91/72/591409172.db2.gz GBHZVUXZQBPSLA-ZETCQYMHSA-N 1 2 227.239 0.463 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](CC)CC(=O)NC ZINC000129842128 591413482 /nfs/dbraw/zinc/41/34/82/591413482.db2.gz NYYGEZZGCKZFAV-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](CC)CC(=O)NC ZINC000129842128 591413483 /nfs/dbraw/zinc/41/34/83/591413483.db2.gz NYYGEZZGCKZFAV-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO O[C@@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000882702582 591413885 /nfs/dbraw/zinc/41/38/85/591413885.db2.gz DMHABLYSXUIJIZ-ZJUUUORDSA-N 1 2 212.224 0.153 20 0 BCADLO CCc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC000882719749 591420411 /nfs/dbraw/zinc/42/04/11/591420411.db2.gz YHJLPSQHDAIXPX-LLVKDONJSA-N 1 2 249.314 0.913 20 0 BCADLO CCc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000882719749 591420416 /nfs/dbraw/zinc/42/04/16/591420416.db2.gz YHJLPSQHDAIXPX-LLVKDONJSA-N 1 2 249.314 0.913 20 0 BCADLO CCCNc1cc(N2C[C@H]3C[C@@]3(O)C2)nc[nH+]1 ZINC000882933482 591477164 /nfs/dbraw/zinc/47/71/64/591477164.db2.gz HLOOIVKXHVUHBX-BXKDBHETSA-N 1 2 234.303 0.870 20 0 BCADLO CCCNc1cc(N2C[C@H]3C[C@@]3(O)C2)[nH+]cn1 ZINC000882933482 591477166 /nfs/dbraw/zinc/47/71/66/591477166.db2.gz HLOOIVKXHVUHBX-BXKDBHETSA-N 1 2 234.303 0.870 20 0 BCADLO NC(CO)=[NH+]OCCc1cscn1 ZINC000883012956 591505746 /nfs/dbraw/zinc/50/57/46/591505746.db2.gz ZTMGPTQFDJVIAI-UHFFFAOYSA-N 1 2 201.251 0.176 20 0 BCADLO CCCCCNC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011387 591510701 /nfs/dbraw/zinc/51/07/01/591510701.db2.gz TUFJCZJRUFAJHD-MRVPVSSYSA-N 1 2 231.296 0.172 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCC[C@H](O)C(C)C ZINC000882981411 591491344 /nfs/dbraw/zinc/49/13/44/591491344.db2.gz KSBDKCBFYWAFJY-IUCAKERBSA-N 1 2 218.297 0.927 20 0 BCADLO CCCc1nc(C)c(CO[NH+]=C(N)CO)o1 ZINC000883013208 591506440 /nfs/dbraw/zinc/50/64/40/591506440.db2.gz ILAAOWDPGRWCAI-UHFFFAOYSA-N 1 2 227.264 0.926 20 0 BCADLO Cn1c[nH+]cc1Cn1cc2c(n1)CC[C@H](O)C2 ZINC000883007122 591508817 /nfs/dbraw/zinc/50/88/17/591508817.db2.gz MKZPGDXMRTVPDU-NSHDSACASA-N 1 2 232.287 0.515 20 0 BCADLO C[C@@H](O[NH+]=C(N)CO)C(=O)Nc1ccccc1 ZINC000883010470 591510341 /nfs/dbraw/zinc/51/03/41/591510341.db2.gz QNTJEGPYVCZONQ-MRVPVSSYSA-N 1 2 237.259 0.504 20 0 BCADLO COc1ccc(CO[NH+]=C(N)CO)cn1 ZINC000883010854 591510390 /nfs/dbraw/zinc/51/03/90/591510390.db2.gz CLRHCJWRKARDID-UHFFFAOYSA-N 1 2 211.221 0.081 20 0 BCADLO NC(CO)=[NH+]OCc1cccnc1Cl ZINC000883011231 591510527 /nfs/dbraw/zinc/51/05/27/591510527.db2.gz OJPMYFARHFYXFI-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)CO ZINC000883011053 591510590 /nfs/dbraw/zinc/51/05/90/591510590.db2.gz IWTAGBCGCLMJNX-VIFPVBQESA-N 1 2 245.323 0.370 20 0 BCADLO COc1ccc(CO[NH+]=C(N)CO)cc1F ZINC000883010535 591511158 /nfs/dbraw/zinc/51/11/58/591511158.db2.gz SSRVDSLFMPYENX-UHFFFAOYSA-N 1 2 228.223 0.825 20 0 BCADLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)CO ZINC000883009935 591511312 /nfs/dbraw/zinc/51/13/12/591511312.db2.gz ZAGLVGDPBITNKP-DTWKUNHWSA-N 1 2 243.307 0.172 20 0 BCADLO COc1ccccc1CO[NH+]=C(N)CO ZINC000883010256 591511752 /nfs/dbraw/zinc/51/17/52/591511752.db2.gz JAJOPDXSVHVATP-UHFFFAOYSA-N 1 2 210.233 0.686 20 0 BCADLO C[C@H]1C[C@H](CO[NH+]=C(N)CO)CCO1 ZINC000883012906 591512127 /nfs/dbraw/zinc/51/21/27/591512127.db2.gz XMLVWXHDMHPLSH-JGVFFNPUSA-N 1 2 202.254 0.292 20 0 BCADLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)CO ZINC000883011912 591512333 /nfs/dbraw/zinc/51/23/33/591512333.db2.gz MZHYPHVMICBKGT-UHFFFAOYSA-N 1 2 231.296 0.030 20 0 BCADLO CC(C)(C)c1cc(CO[NH+]=C(N)CO)no1 ZINC000883012894 591513204 /nfs/dbraw/zinc/51/32/04/591513204.db2.gz XDUSMEXHJWZTLN-UHFFFAOYSA-N 1 2 227.264 0.963 20 0 BCADLO NC(CO)=[NH+]OCCOCC1CCCC1 ZINC000883012814 591513390 /nfs/dbraw/zinc/51/33/90/591513390.db2.gz UKWVUHFAGWFATJ-UHFFFAOYSA-N 1 2 216.281 0.684 20 0 BCADLO Cn1nc(CO[NH+]=C(N)CO)cc1Cl ZINC000883013139 591513993 /nfs/dbraw/zinc/51/39/93/591513993.db2.gz GHXIHFPWUGRGFW-UHFFFAOYSA-N 1 2 218.644 0.064 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC000883064413 591532806 /nfs/dbraw/zinc/53/28/06/591532806.db2.gz BFSQGJCPTWCSIE-DTORHVGOSA-N 1 2 219.244 0.315 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccncc2N)n1 ZINC000883185339 591565233 /nfs/dbraw/zinc/56/52/33/591565233.db2.gz USSXFBXKMUSROC-UHFFFAOYSA-N 1 2 232.291 0.565 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCOC1 ZINC000883187815 591566620 /nfs/dbraw/zinc/56/66/20/591566620.db2.gz WZMNWTDGPBGMJM-ZYHUDNBSSA-N 1 2 239.319 0.941 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cccc(F)n1 ZINC000131210477 591572185 /nfs/dbraw/zinc/57/21/85/591572185.db2.gz GMIGJHCHWKKDKO-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO CC[N@H+](CC(C)C)Cn1nc2cnccn2c1=O ZINC000131230000 591574721 /nfs/dbraw/zinc/57/47/21/591574721.db2.gz YQUCMVQSYNFMBK-UHFFFAOYSA-N 1 2 249.318 0.826 20 0 BCADLO CC[N@@H+](CC(C)C)Cn1nc2cnccn2c1=O ZINC000131230000 591574724 /nfs/dbraw/zinc/57/47/24/591574724.db2.gz YQUCMVQSYNFMBK-UHFFFAOYSA-N 1 2 249.318 0.826 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccoc1 ZINC000883269835 591602826 /nfs/dbraw/zinc/60/28/26/591602826.db2.gz XYEAHEOGGWXLSJ-NSHDSACASA-N 1 2 235.287 0.944 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@@](C)(CCO)COC ZINC000132544173 591718123 /nfs/dbraw/zinc/71/81/23/591718123.db2.gz MPTLTTSTXJTSSB-PWSUYJOCSA-N 1 2 247.335 0.705 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)[C@@H]1C ZINC000133421275 591791510 /nfs/dbraw/zinc/79/15/10/591791510.db2.gz IVBDSYPXXZMTHV-RKDXNWHRSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)[C@@H]1C ZINC000133421275 591791514 /nfs/dbraw/zinc/79/15/14/591791514.db2.gz IVBDSYPXXZMTHV-RKDXNWHRSA-N 1 2 210.281 0.270 20 0 BCADLO CC(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800086916 591819878 /nfs/dbraw/zinc/81/98/78/591819878.db2.gz PNLHDATUBPVKOJ-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800086916 591819880 /nfs/dbraw/zinc/81/98/80/591819880.db2.gz PNLHDATUBPVKOJ-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C2CC2)CCO1 ZINC000800097940 591822165 /nfs/dbraw/zinc/82/21/65/591822165.db2.gz UYVWCDXGIMOUCV-VIFPVBQESA-N 1 2 213.277 0.660 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C2CC2)CCO1 ZINC000800097940 591822168 /nfs/dbraw/zinc/82/21/68/591822168.db2.gz UYVWCDXGIMOUCV-VIFPVBQESA-N 1 2 213.277 0.660 20 0 BCADLO CCCOCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800150934 591827850 /nfs/dbraw/zinc/82/78/50/591827850.db2.gz GUYPIBOPLKMWGC-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCCOCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800150934 591827852 /nfs/dbraw/zinc/82/78/52/591827852.db2.gz GUYPIBOPLKMWGC-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CCOC2)CCO1 ZINC000800152103 591828154 /nfs/dbraw/zinc/82/81/54/591828154.db2.gz SVPPKMZQZPSWSW-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CCOC2)CCO1 ZINC000800152103 591828158 /nfs/dbraw/zinc/82/81/58/591828158.db2.gz SVPPKMZQZPSWSW-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO CC[C@H](OC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800154448 591829349 /nfs/dbraw/zinc/82/93/49/591829349.db2.gz QTUUUZRUIFXRPU-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H](OC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800154448 591829353 /nfs/dbraw/zinc/82/93/53/591829353.db2.gz QTUUUZRUIFXRPU-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800160594 591829736 /nfs/dbraw/zinc/82/97/36/591829736.db2.gz KREGSWWKNQUMFC-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800160594 591829739 /nfs/dbraw/zinc/82/97/39/591829739.db2.gz KREGSWWKNQUMFC-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC[C@@H](OC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800154447 591829801 /nfs/dbraw/zinc/82/98/01/591829801.db2.gz QTUUUZRUIFXRPU-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](OC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800154447 591829803 /nfs/dbraw/zinc/82/98/03/591829803.db2.gz QTUUUZRUIFXRPU-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCN(CC)C(=O)C[NH2+]Cc1nccn1CC ZINC000134535467 591935163 /nfs/dbraw/zinc/93/51/63/591935163.db2.gz DMWZLVKYEJJTIJ-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCc1nc(NC[C@]2(O)CCO[C@@H]2C)cc[nH+]1 ZINC000884491428 591954840 /nfs/dbraw/zinc/95/48/40/591954840.db2.gz VKHKEPTUAGBURP-BXKDBHETSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(N2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000884491427 591954931 /nfs/dbraw/zinc/95/49/31/591954931.db2.gz VIWRKAXZWPUBPJ-UHFFFAOYSA-N 1 2 232.287 0.808 20 0 BCADLO CCc1nc(N2CC[C@@](C)(C(N)=O)C2)cc[nH+]1 ZINC000884493940 591955864 /nfs/dbraw/zinc/95/58/64/591955864.db2.gz GYQIFDFWUYIDFE-GFCCVEGCSA-N 1 2 234.303 0.741 20 0 BCADLO CCc1nc(N(CC)CCOCCO)cc[nH+]1 ZINC000884497520 591957746 /nfs/dbraw/zinc/95/77/46/591957746.db2.gz ALDXGHJUWPZLGM-UHFFFAOYSA-N 1 2 239.319 0.874 20 0 BCADLO CCc1nc(N2CC(=O)N[C@H](C)C2)cc[nH+]1 ZINC000884522127 591964638 /nfs/dbraw/zinc/96/46/38/591964638.db2.gz QAIKJGPYOSCFCK-MRVPVSSYSA-N 1 2 220.276 0.364 20 0 BCADLO CCc1nc(N2CC(C)(CO)C2)cc[nH+]1 ZINC000884522266 591964984 /nfs/dbraw/zinc/96/49/84/591964984.db2.gz UGCHLKPRIMXERF-UHFFFAOYSA-N 1 2 207.277 0.858 20 0 BCADLO CCc1nc(NC[C@@H](O)Cn2ccnn2)cc[nH+]1 ZINC000884528735 591967444 /nfs/dbraw/zinc/96/74/44/591967444.db2.gz XPLVKPXNLABRLO-SECBINFHSA-N 1 2 248.290 0.104 20 0 BCADLO CCc1nc(NCC(=O)N2CCCO2)cc[nH+]1 ZINC000884541615 591972798 /nfs/dbraw/zinc/97/27/98/591972798.db2.gz JLQSGBHXIRYUEM-UHFFFAOYSA-N 1 2 236.275 0.615 20 0 BCADLO CCc1nc(N2C[C@H](O)C[C@@H]2COC)cc[nH+]1 ZINC000884544856 591974165 /nfs/dbraw/zinc/97/41/65/591974165.db2.gz RNGLYJVNMKTHQR-NXEZZACHSA-N 1 2 237.303 0.625 20 0 BCADLO CCc1nc(NC[C@@](C)(CO)OC)cc[nH+]1 ZINC000884547092 591975187 /nfs/dbraw/zinc/97/51/87/591975187.db2.gz BKTUZTOVRSYJIR-NSHDSACASA-N 1 2 225.292 0.848 20 0 BCADLO CCc1nc(N(C)C[C@H]2COCCO2)cc[nH+]1 ZINC000884556515 591978033 /nfs/dbraw/zinc/97/80/33/591978033.db2.gz SJEFAFGIJPCQPQ-JTQLQIEISA-N 1 2 237.303 0.891 20 0 BCADLO CCc1nc(N[C@@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000884559219 591979537 /nfs/dbraw/zinc/97/95/37/591979537.db2.gz PCUQFIDQOJHCTI-SNVBAGLBSA-N 1 2 234.303 0.976 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)o1 ZINC000884565342 591982185 /nfs/dbraw/zinc/98/21/85/591982185.db2.gz HHYDLHQPKCJQTN-VIFPVBQESA-N 1 2 211.265 0.726 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)o1 ZINC000884565342 591982187 /nfs/dbraw/zinc/98/21/87/591982187.db2.gz HHYDLHQPKCJQTN-VIFPVBQESA-N 1 2 211.265 0.726 20 0 BCADLO CCc1nc(N2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000884565039 591982260 /nfs/dbraw/zinc/98/22/60/591982260.db2.gz YWJJMCJFXDSIJJ-QMMMGPOBSA-N 1 2 220.276 0.493 20 0 BCADLO C[C@H](O)CNc1cc(N2C[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000884589245 591989010 /nfs/dbraw/zinc/98/90/10/591989010.db2.gz WIZYNLVDJNXGCI-LPEHRKFASA-N 1 2 234.303 0.725 20 0 BCADLO C[C@H](O)CNc1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000884589245 591989012 /nfs/dbraw/zinc/98/90/12/591989012.db2.gz WIZYNLVDJNXGCI-LPEHRKFASA-N 1 2 234.303 0.725 20 0 BCADLO OC[C@@H](C[C@@H]1CCCO1)Nc1cc[nH+]cc1F ZINC000884615659 591994545 /nfs/dbraw/zinc/99/45/45/591994545.db2.gz LGMKDHKHGBNNNE-ZJUUUORDSA-N 1 2 240.278 0.985 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884620742 591995241 /nfs/dbraw/zinc/99/52/41/591995241.db2.gz KLZSSLNIQSDJBK-PSVAKVPMSA-N 1 2 209.249 0.081 20 0 BCADLO CCc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000884620918 591995371 /nfs/dbraw/zinc/99/53/71/591995371.db2.gz QIEFQVOCCRXEFY-OWUUHHOZSA-N 1 2 223.276 0.335 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000884621044 591995667 /nfs/dbraw/zinc/99/56/67/591995667.db2.gz VNDSZRSBSLRFBP-SLGCYQGISA-N 1 2 248.286 0.562 20 0 BCADLO Cc1cc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)nc[nH+]1 ZINC000884624831 591996287 /nfs/dbraw/zinc/99/62/87/591996287.db2.gz SAFJBVCCULJPAM-JGPRNRPPSA-N 1 2 237.303 0.861 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884623494 591996298 /nfs/dbraw/zinc/99/62/98/591996298.db2.gz FLUBNCSSISXFHF-AYMMMOKOSA-N 1 2 239.275 0.090 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885051645 592039897 /nfs/dbraw/zinc/03/98/97/592039897.db2.gz BSZFMHVYQMQEFU-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885051645 592039900 /nfs/dbraw/zinc/03/99/00/592039900.db2.gz BSZFMHVYQMQEFU-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000885062706 592043268 /nfs/dbraw/zinc/04/32/68/592043268.db2.gz ORPRSKXRLIBSPX-QMMMGPOBSA-N 1 2 221.260 0.532 20 0 BCADLO COCCOC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000885212066 592057731 /nfs/dbraw/zinc/05/77/31/592057731.db2.gz GUBUXFMAFUMSAC-QMMMGPOBSA-N 1 2 225.248 0.701 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000885574484 592084540 /nfs/dbraw/zinc/08/45/40/592084540.db2.gz JZLRUACNTYTRTQ-GHMZBOCLSA-N 1 2 243.303 0.287 20 0 BCADLO O=C1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)CCN1 ZINC000885933258 592109812 /nfs/dbraw/zinc/10/98/12/592109812.db2.gz OXJVRIKPZUAJHB-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)CCN1 ZINC000885933258 592109814 /nfs/dbraw/zinc/10/98/14/592109814.db2.gz OXJVRIKPZUAJHB-MNOVXSKESA-N 1 2 224.304 0.376 20 0 BCADLO CC(C)CONC(=O)NCCn1cc[nH+]c1 ZINC000136711342 592149301 /nfs/dbraw/zinc/14/93/01/592149301.db2.gz PCDBUQXUEFGLKB-UHFFFAOYSA-N 1 2 226.280 0.770 20 0 BCADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CCC1=O ZINC000886144990 592162622 /nfs/dbraw/zinc/16/26/22/592162622.db2.gz MHTJYHCXJGJLAI-XCBNKYQSSA-N 1 2 221.247 0.913 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CCC1=O ZINC000886144990 592162624 /nfs/dbraw/zinc/16/26/24/592162624.db2.gz MHTJYHCXJGJLAI-XCBNKYQSSA-N 1 2 221.247 0.913 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886153987 592165000 /nfs/dbraw/zinc/16/50/00/592165000.db2.gz WRNVDBFYJYDALZ-MNOVXSKESA-N 1 2 244.335 0.991 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)CC(=O)[O-])[N@H+](C)C1CC1 ZINC000218829284 592182003 /nfs/dbraw/zinc/18/20/03/592182003.db2.gz OESSYMFENCMVAB-DTWKUNHWSA-N 1 2 214.309 0.922 20 0 BCADLO C[C@H](C[NH2+][C@@H](C)CC(=O)[O-])[N@@H+](C)C1CC1 ZINC000218829284 592182006 /nfs/dbraw/zinc/18/20/06/592182006.db2.gz OESSYMFENCMVAB-DTWKUNHWSA-N 1 2 214.309 0.922 20 0 BCADLO Cc1c[nH]nc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000886269594 592191734 /nfs/dbraw/zinc/19/17/34/592191734.db2.gz ZRXKFOVPRYVTFN-UHFFFAOYSA-N 1 2 247.306 0.158 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2nccnc2C1)C(F)F ZINC000886285180 592200186 /nfs/dbraw/zinc/20/01/86/592200186.db2.gz AIWDIFFKWHGNGO-LLVKDONJSA-N 1 2 243.257 0.851 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2nccnc2C1)C(F)F ZINC000886285180 592200189 /nfs/dbraw/zinc/20/01/89/592200189.db2.gz AIWDIFFKWHGNGO-LLVKDONJSA-N 1 2 243.257 0.851 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000886308295 592204588 /nfs/dbraw/zinc/20/45/88/592204588.db2.gz XHXPDEJEZVOILL-SFYZADRCSA-N 1 2 237.259 0.020 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCCn2nncc2C1 ZINC000886447708 592226096 /nfs/dbraw/zinc/22/60/96/592226096.db2.gz WJWIWFVFIHPPGP-UHFFFAOYSA-N 1 2 237.307 0.008 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCCn2nncc2C1 ZINC000886447708 592226097 /nfs/dbraw/zinc/22/60/97/592226097.db2.gz WJWIWFVFIHPPGP-UHFFFAOYSA-N 1 2 237.307 0.008 20 0 BCADLO O=C(C[N@@H+]1CCCn2nncc2C1)N1CCCC1 ZINC000886452961 592227110 /nfs/dbraw/zinc/22/71/10/592227110.db2.gz WRDKTJQGVRRWGR-UHFFFAOYSA-N 1 2 249.318 0.106 20 0 BCADLO O=C(C[N@H+]1CCCn2nncc2C1)N1CCCC1 ZINC000886452961 592227112 /nfs/dbraw/zinc/22/71/12/592227112.db2.gz WRDKTJQGVRRWGR-UHFFFAOYSA-N 1 2 249.318 0.106 20 0 BCADLO Cc1nocc1C[N@@H+]1CCCn2nncc2C1 ZINC000886465275 592228623 /nfs/dbraw/zinc/22/86/23/592228623.db2.gz ZJEVZAXAODNKEV-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO Cc1nocc1C[N@H+]1CCCn2nncc2C1 ZINC000886465275 592228624 /nfs/dbraw/zinc/22/86/24/592228624.db2.gz ZJEVZAXAODNKEV-UHFFFAOYSA-N 1 2 233.275 0.980 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC[C@H]1CC1CC1 ZINC000886471090 592229643 /nfs/dbraw/zinc/22/96/43/592229643.db2.gz HPFAANFVRXHYNL-LLVKDONJSA-N 1 2 249.314 0.980 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1ncco1 ZINC000886526753 592246463 /nfs/dbraw/zinc/24/64/63/592246463.db2.gz RVNDPIATBQLLOA-QMMMGPOBSA-N 1 2 211.265 0.850 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H](C)c1ncco1 ZINC000886530157 592247307 /nfs/dbraw/zinc/24/73/07/592247307.db2.gz FPEWXJLAKHDIDY-MRVPVSSYSA-N 1 2 211.265 0.804 20 0 BCADLO C/C=C\[C@@H](O)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608338 592274711 /nfs/dbraw/zinc/27/47/11/592274711.db2.gz TVHLBOKPRVDRRB-KTLBGCOUSA-N 1 2 249.314 0.725 20 0 BCADLO C/C=C/[C@@H](O)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608339 592274778 /nfs/dbraw/zinc/27/47/78/592274778.db2.gz TVHLBOKPRVDRRB-OGOUPESXSA-N 1 2 249.314 0.725 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)C1(C)COC1)C2 ZINC000886616745 592276340 /nfs/dbraw/zinc/27/63/40/592276340.db2.gz QVMDASQIKFIHFJ-UHFFFAOYSA-N 1 2 249.314 0.824 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677268 592299082 /nfs/dbraw/zinc/29/90/82/592299082.db2.gz USWRMIKEFKSCOT-SNVBAGLBSA-N 1 2 235.287 0.829 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677268 592299083 /nfs/dbraw/zinc/29/90/83/592299083.db2.gz USWRMIKEFKSCOT-SNVBAGLBSA-N 1 2 235.287 0.829 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000886848752 592364749 /nfs/dbraw/zinc/36/47/49/592364749.db2.gz MWWWYALJCHAMSX-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000886848752 592364753 /nfs/dbraw/zinc/36/47/53/592364753.db2.gz MWWWYALJCHAMSX-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC[C@H]([NH2+]CC(=O)OC)[C@H]1CCCOC1 ZINC000886906550 592393833 /nfs/dbraw/zinc/39/38/33/592393833.db2.gz YQWCZQBROLZDNQ-UWVGGRQHSA-N 1 2 231.292 0.191 20 0 BCADLO COC[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCOC1 ZINC000886915652 592394532 /nfs/dbraw/zinc/39/45/32/592394532.db2.gz HNTSFVKSLPCGLZ-MWLCHTKSSA-N 1 2 240.307 0.336 20 0 BCADLO COC[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCOC1 ZINC000886915650 592395127 /nfs/dbraw/zinc/39/51/27/592395127.db2.gz HNTSFVKSLPCGLZ-GXSJLCMTSA-N 1 2 240.307 0.336 20 0 BCADLO COCCC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886946323 592401395 /nfs/dbraw/zinc/40/13/95/592401395.db2.gz JNQGQWOHWKUGMN-GHMZBOCLSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCO ZINC000886962612 592402447 /nfs/dbraw/zinc/40/24/47/592402447.db2.gz AWYVCNQQVHLNFL-VHSXEESVSA-N 1 2 231.292 0.069 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000887032724 592425934 /nfs/dbraw/zinc/42/59/34/592425934.db2.gz MTACVGIOACFBDT-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000887032724 592425938 /nfs/dbraw/zinc/42/59/38/592425938.db2.gz MTACVGIOACFBDT-RKDXNWHRSA-N 1 2 241.291 0.561 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCCCO ZINC000887071824 592433497 /nfs/dbraw/zinc/43/34/97/592433497.db2.gz CBFHEUZVMSRPMG-JTQLQIEISA-N 1 2 247.360 0.739 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCCCO ZINC000887071824 592433500 /nfs/dbraw/zinc/43/35/00/592433500.db2.gz CBFHEUZVMSRPMG-JTQLQIEISA-N 1 2 247.360 0.739 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCC(C)(C)O ZINC000887074195 592435129 /nfs/dbraw/zinc/43/51/29/592435129.db2.gz PXXYJQXZWICCNL-SECBINFHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCC(C)(C)O ZINC000887074195 592435133 /nfs/dbraw/zinc/43/51/33/592435133.db2.gz PXXYJQXZWICCNL-SECBINFHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@H](O)C(C)C ZINC000887077839 592435145 /nfs/dbraw/zinc/43/51/45/592435145.db2.gz WCLUQBOBWGVNEM-ZJUUUORDSA-N 1 2 247.360 0.594 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@H](O)C(C)C ZINC000887077839 592435148 /nfs/dbraw/zinc/43/51/48/592435148.db2.gz WCLUQBOBWGVNEM-ZJUUUORDSA-N 1 2 247.360 0.594 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074538 592435401 /nfs/dbraw/zinc/43/54/01/592435401.db2.gz YNBFLFYDFHJUOG-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074538 592435404 /nfs/dbraw/zinc/43/54/04/592435404.db2.gz YNBFLFYDFHJUOG-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)OC ZINC000887075928 592435595 /nfs/dbraw/zinc/43/55/95/592435595.db2.gz RTOMQWAYWVNGOQ-IUCAKERBSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)OC ZINC000887075928 592435599 /nfs/dbraw/zinc/43/55/99/592435599.db2.gz RTOMQWAYWVNGOQ-IUCAKERBSA-N 1 2 233.333 0.612 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nn1nnc2c1CCCC2 ZINC000887219034 592467556 /nfs/dbraw/zinc/46/75/56/592467556.db2.gz OUVBXKQTQWFOIN-UHFFFAOYSA-N 1 2 246.274 0.124 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887477683 592512747 /nfs/dbraw/zinc/51/27/47/592512747.db2.gz XZWODJWIBBLGGI-NWDGAFQWSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1(C2(O)CCC2)CC1 ZINC000887539065 592519630 /nfs/dbraw/zinc/51/96/30/592519630.db2.gz AZYLPNRCFORNCC-UHFFFAOYSA-N 1 2 249.314 0.764 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC1(C2(O)CCC2)CC1 ZINC000887539065 592519632 /nfs/dbraw/zinc/51/96/32/592519632.db2.gz AZYLPNRCFORNCC-UHFFFAOYSA-N 1 2 249.314 0.764 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000888066050 592572361 /nfs/dbraw/zinc/57/23/61/592572361.db2.gz GDKRJHWDWKGJII-SECBINFHSA-N 1 2 237.259 0.116 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000888066050 592572363 /nfs/dbraw/zinc/57/23/63/592572363.db2.gz GDKRJHWDWKGJII-SECBINFHSA-N 1 2 237.259 0.116 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000888066051 592572552 /nfs/dbraw/zinc/57/25/52/592572552.db2.gz GDKRJHWDWKGJII-VIFPVBQESA-N 1 2 237.259 0.116 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000888066051 592572553 /nfs/dbraw/zinc/57/25/53/592572553.db2.gz GDKRJHWDWKGJII-VIFPVBQESA-N 1 2 237.259 0.116 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000888065844 592572570 /nfs/dbraw/zinc/57/25/70/592572570.db2.gz DAXIXPLHZVBDTF-QMMMGPOBSA-N 1 2 237.259 0.116 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000888074042 592575607 /nfs/dbraw/zinc/57/56/07/592575607.db2.gz ICDNWBZEADVNOC-NQMVMOMDSA-N 1 2 249.270 0.287 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000888074042 592575608 /nfs/dbraw/zinc/57/56/08/592575608.db2.gz ICDNWBZEADVNOC-NQMVMOMDSA-N 1 2 249.270 0.287 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H]1CO ZINC000889132555 592584357 /nfs/dbraw/zinc/58/43/57/592584357.db2.gz LFRQUOVQTZIZAT-LLVKDONJSA-N 1 2 245.282 0.470 20 0 BCADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)[C@H]1CCCO1 ZINC000890100354 592679130 /nfs/dbraw/zinc/67/91/30/592679130.db2.gz SYCPMTONKREVRT-GXSJLCMTSA-N 1 2 237.303 0.851 20 0 BCADLO CC(C)C1(C(=O)NCc2cn(C)c[nH+]2)COC1 ZINC000890099705 592679246 /nfs/dbraw/zinc/67/92/46/592679246.db2.gz GVYKTPZPGPEXJV-UHFFFAOYSA-N 1 2 237.303 0.709 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c1 ZINC000890099727 592679309 /nfs/dbraw/zinc/67/93/09/592679309.db2.gz HYZCWYCRTADXSB-INTQDDNPSA-N 1 2 233.271 0.261 20 0 BCADLO COC/C=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890100192 592679402 /nfs/dbraw/zinc/67/94/02/592679402.db2.gz QSRIZRNZLVLJBU-ONEGZZNKSA-N 1 2 209.249 0.239 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103458 592679920 /nfs/dbraw/zinc/67/99/20/592679920.db2.gz LRISYFCRQZHQLI-SCZZXKLOSA-N 1 2 225.292 0.443 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890104239 592680189 /nfs/dbraw/zinc/68/01/89/592680189.db2.gz WKZHUTBTNXAAMT-MWLCHTKSSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@H](CC(=O)NCc1cn(C)c[nH+]1)n1cccn1 ZINC000890105229 592681024 /nfs/dbraw/zinc/68/10/24/592681024.db2.gz ZTMDNUGUCSMWEP-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CCCOC2)c1 ZINC000890107006 592681615 /nfs/dbraw/zinc/68/16/15/592681615.db2.gz FZTKHIZYRJBDIX-JTQLQIEISA-N 1 2 237.303 0.853 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890108144 592682559 /nfs/dbraw/zinc/68/25/59/592682559.db2.gz VIQCRLGXFJTACP-KKZNHRDASA-N 1 2 237.303 0.850 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)cnn1 ZINC000890107890 592683118 /nfs/dbraw/zinc/68/31/18/592683118.db2.gz PZUCKLWDQKBBLV-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2SCCS2)c1 ZINC000890109336 592683226 /nfs/dbraw/zinc/68/32/26/592683226.db2.gz KXZBRCSOKJMHDC-UHFFFAOYSA-N 1 2 243.357 0.842 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890110778 592683968 /nfs/dbraw/zinc/68/39/68/592683968.db2.gz UTYZEQPSUQENOU-MNOVXSKESA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCS2)c1 ZINC000890110632 592684242 /nfs/dbraw/zinc/68/42/42/592684242.db2.gz SCOPJFMLGSLRRI-SECBINFHSA-N 1 2 225.317 0.932 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890110080 592684516 /nfs/dbraw/zinc/68/45/16/592684516.db2.gz WQENUYAHENPAAZ-JTQLQIEISA-N 1 2 225.292 0.587 20 0 BCADLO CCC1(C(=O)NCc2cn(C)c[nH+]2)COC1 ZINC000890110087 592684728 /nfs/dbraw/zinc/68/47/28/592684728.db2.gz JWCMFAJYGFAJBW-UHFFFAOYSA-N 1 2 223.276 0.463 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2cn(C)c[nH+]2)c1C ZINC000890113554 592684788 /nfs/dbraw/zinc/68/47/88/592684788.db2.gz IIJUAOFKMQAROX-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2(C)COC2)c1 ZINC000890110268 592684867 /nfs/dbraw/zinc/68/48/67/592684867.db2.gz XMBUBBVWIJOJLY-UHFFFAOYSA-N 1 2 209.249 0.073 20 0 BCADLO CSCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890119607 592685267 /nfs/dbraw/zinc/68/52/67/592685267.db2.gz KOWQWOGODOWWBS-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO Cn1c[nH+]c(CNC(=O)/C=C/c2cnn(C)c2)c1 ZINC000890117929 592685328 /nfs/dbraw/zinc/68/53/28/592685328.db2.gz ZUXGNMLMECPWLU-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO Cc1nccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890117666 592685412 /nfs/dbraw/zinc/68/54/12/592685412.db2.gz WYDJMBRDKYZXRY-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO CCc1cc(C(=O)NCc2cn(C)c[nH+]2)[nH]n1 ZINC000890117415 592685596 /nfs/dbraw/zinc/68/55/96/592685596.db2.gz QSZGYOWSUGYDOW-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117013 592685618 /nfs/dbraw/zinc/68/56/18/592685618.db2.gz KGKUVVUIJXENFD-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2cnns2)c1 ZINC000890117576 592685649 /nfs/dbraw/zinc/68/56/49/592685649.db2.gz SOZDWDDLSPQRHL-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO COCCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114596 592685876 /nfs/dbraw/zinc/68/58/76/592685876.db2.gz QSQMSYOHTRUVRU-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CC(C)OCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114475 592686086 /nfs/dbraw/zinc/68/60/86/592686086.db2.gz MCZDFKBRQGUPET-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CCO[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890117382 592686032 /nfs/dbraw/zinc/68/60/32/592686032.db2.gz PTSUAZIOPCIEFM-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C(C)(C)O ZINC000890458618 592700116 /nfs/dbraw/zinc/70/01/16/592700116.db2.gz FRVVKGXNCYRBIG-UDIARPCQSA-N 1 2 237.303 0.709 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000225835673 598214015 /nfs/dbraw/zinc/21/40/15/598214015.db2.gz WTKSBGONZHYFEG-IUCAKERBSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000225835673 598214016 /nfs/dbraw/zinc/21/40/16/598214016.db2.gz WTKSBGONZHYFEG-IUCAKERBSA-N 1 2 200.282 0.533 20 0 BCADLO O=C([O-])C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000308840872 599920367 /nfs/dbraw/zinc/92/03/67/599920367.db2.gz JZMUZZOQHJODGS-VIFPVBQESA-N 1 2 209.249 0.605 20 0 BCADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000309523795 599920259 /nfs/dbraw/zinc/92/02/59/599920259.db2.gz AVSUWAQZCAZKHF-NXEZZACHSA-N 1 2 223.276 0.993 20 0 BCADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000309523795 599920260 /nfs/dbraw/zinc/92/02/60/599920260.db2.gz AVSUWAQZCAZKHF-NXEZZACHSA-N 1 2 223.276 0.993 20 0 BCADLO O=C([O-])C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000308840872 599920369 /nfs/dbraw/zinc/92/03/69/599920369.db2.gz JZMUZZOQHJODGS-VIFPVBQESA-N 1 2 209.249 0.605 20 0 BCADLO O=C([O-])[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000035300668 604994558 /nfs/dbraw/zinc/99/45/58/604994558.db2.gz CBPAXXZGFZNZPV-SECBINFHSA-N 1 2 209.249 0.432 20 0 BCADLO O=C([O-])[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000035300668 604994562 /nfs/dbraw/zinc/99/45/62/604994562.db2.gz CBPAXXZGFZNZPV-SECBINFHSA-N 1 2 209.249 0.432 20 0 BCADLO O=C([O-])[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000049328761 605275926 /nfs/dbraw/zinc/27/59/26/605275926.db2.gz ISBHIELGQCMDSD-SNVBAGLBSA-N 1 2 223.276 0.822 20 0 BCADLO O=C([O-])[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000049328761 605275930 /nfs/dbraw/zinc/27/59/30/605275930.db2.gz ISBHIELGQCMDSD-SNVBAGLBSA-N 1 2 223.276 0.822 20 0 BCADLO C[C@@H]([NH2+]Cc1c[nH]cn1)[C@H]1CN(C)CCO1 ZINC000124857738 634435713 /nfs/dbraw/zinc/43/57/13/634435713.db2.gz XZYFCWRRQSYRKE-MWLCHTKSSA-N 1 2 224.308 0.218 20 0 BCADLO CCOc1ccc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000893553620 635153447 /nfs/dbraw/zinc/15/34/47/635153447.db2.gz PJFBDRQGKLQIOE-UHFFFAOYSA-N 1 2 224.260 0.786 20 0 BCADLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001009861906 634607298 /nfs/dbraw/zinc/60/72/98/634607298.db2.gz FHIVBUMURYMEEU-MRVPVSSYSA-N 1 2 220.263 0.895 20 0 BCADLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001009861906 634607304 /nfs/dbraw/zinc/60/73/04/634607304.db2.gz FHIVBUMURYMEEU-MRVPVSSYSA-N 1 2 220.263 0.895 20 0 BCADLO O=C([C@@H]1CCCO1)N1CCC[N@H+](CCF)CC1 ZINC000980671066 635253396 /nfs/dbraw/zinc/25/33/96/635253396.db2.gz MTNIFMGSZOBAKA-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO CC(C)(C)C(=O)CCN1CC[NH+](CCO)CC1 ZINC000054026269 635327330 /nfs/dbraw/zinc/32/73/30/635327330.db2.gz XWJKQWAXZJKFGG-UHFFFAOYSA-N 1 2 242.363 0.602 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000925822089 635399438 /nfs/dbraw/zinc/39/94/38/635399438.db2.gz SLDBEYWBMVNVFL-CQSZACIVSA-N 1 2 215.278 0.527 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cscn1 ZINC001010375093 635459508 /nfs/dbraw/zinc/45/95/08/635459508.db2.gz FUOKNSFTAVTDOE-QMMMGPOBSA-N 1 2 243.307 0.917 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cscn1 ZINC001010375093 635459515 /nfs/dbraw/zinc/45/95/15/635459515.db2.gz FUOKNSFTAVTDOE-QMMMGPOBSA-N 1 2 243.307 0.917 20 0 BCADLO CCNS(=O)(=O)CCNc1cc[nH+]c(C)n1 ZINC000230904560 635494240 /nfs/dbraw/zinc/49/42/40/635494240.db2.gz MWHKHHUGJMKVKL-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000107823250 635485623 /nfs/dbraw/zinc/48/56/23/635485623.db2.gz DXRJWYLJUFLQRR-SNVBAGLBSA-N 1 2 243.303 0.825 20 0 BCADLO CCCCOC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000107823250 635485632 /nfs/dbraw/zinc/48/56/32/635485632.db2.gz DXRJWYLJUFLQRR-SNVBAGLBSA-N 1 2 243.303 0.825 20 0 BCADLO Cc1cnnc(NCC[NH+]2CCOCC2)c1 ZINC000235975699 635593021 /nfs/dbraw/zinc/59/30/21/635593021.db2.gz CRKXHMPWJZXFTA-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BCADLO O[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891430235 631227454 /nfs/dbraw/zinc/22/74/54/631227454.db2.gz BZXZQRFJMNBATF-SECBINFHSA-N 1 2 218.260 0.690 20 0 BCADLO COC(C)(C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308385326 631307759 /nfs/dbraw/zinc/30/77/59/631307759.db2.gz HHQDEZDNMRHPFB-UHFFFAOYSA-N 1 2 223.276 0.705 20 0 BCADLO COCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308390889 631310487 /nfs/dbraw/zinc/31/04/87/631310487.db2.gz KOPIDKUOPHHDES-UHFFFAOYSA-N 1 2 223.276 0.707 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)C1CC1 ZINC000178211660 631420478 /nfs/dbraw/zinc/42/04/78/631420478.db2.gz FOOIGKLDHCBCHO-UHFFFAOYSA-N 1 2 205.323 0.904 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)C1CC1 ZINC000178211660 631420483 /nfs/dbraw/zinc/42/04/83/631420483.db2.gz FOOIGKLDHCBCHO-UHFFFAOYSA-N 1 2 205.323 0.904 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000308598734 631435621 /nfs/dbraw/zinc/43/56/21/631435621.db2.gz NOUFTBFINDWODM-APPZFPTMSA-N 1 2 201.266 0.299 20 0 BCADLO CCCNc1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC000087837925 631482498 /nfs/dbraw/zinc/48/24/98/631482498.db2.gz RSPNJCSYUAHEPH-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO CCCNc1cc(NC[C@@H](O)CO)[nH+]cn1 ZINC000087837925 631482501 /nfs/dbraw/zinc/48/25/01/631482501.db2.gz RSPNJCSYUAHEPH-MRVPVSSYSA-N 1 2 226.280 0.064 20 0 BCADLO Cn1cnn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000176100055 631513926 /nfs/dbraw/zinc/51/39/26/631513926.db2.gz ZEZNZSBDIVRVGS-SECBINFHSA-N 1 2 242.348 0.877 20 0 BCADLO Cn1cnn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000176100055 631513927 /nfs/dbraw/zinc/51/39/27/631513927.db2.gz ZEZNZSBDIVRVGS-SECBINFHSA-N 1 2 242.348 0.877 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926263320 631527747 /nfs/dbraw/zinc/52/77/47/631527747.db2.gz PNHYOAPDZHAINZ-RKDXNWHRSA-N 1 2 239.323 0.333 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934012565 631590011 /nfs/dbraw/zinc/59/00/11/631590011.db2.gz ABPIEDMBPRGEFS-HTQZYQBOSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@H+]1CC[C@@H]1CO ZINC000934012565 631590019 /nfs/dbraw/zinc/59/00/19/631590019.db2.gz ABPIEDMBPRGEFS-HTQZYQBOSA-N 1 2 213.306 0.974 20 0 BCADLO CNC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005627 631584637 /nfs/dbraw/zinc/58/46/37/631584637.db2.gz RSBPNXJPYPJMDO-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO CNC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005627 631584642 /nfs/dbraw/zinc/58/46/42/631584642.db2.gz RSBPNXJPYPJMDO-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO COC(=O)c1cc(C[N@@H+]2CC[C@H]2CO)on1 ZINC000934013295 631592045 /nfs/dbraw/zinc/59/20/45/631592045.db2.gz GAHFFSLXQLEXFL-ZETCQYMHSA-N 1 2 226.232 0.028 20 0 BCADLO COC(=O)c1cc(C[N@H+]2CC[C@H]2CO)on1 ZINC000934013295 631592046 /nfs/dbraw/zinc/59/20/46/631592046.db2.gz GAHFFSLXQLEXFL-ZETCQYMHSA-N 1 2 226.232 0.028 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000934013872 631596022 /nfs/dbraw/zinc/59/60/22/631596022.db2.gz XBKUDAUGYPFSMK-LBPRGKRZSA-N 1 2 221.304 0.786 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000934013872 631596031 /nfs/dbraw/zinc/59/60/31/631596031.db2.gz XBKUDAUGYPFSMK-LBPRGKRZSA-N 1 2 221.304 0.786 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NC1CCCCC1 ZINC000934024971 631601958 /nfs/dbraw/zinc/60/19/58/631601958.db2.gz BYBFYWPMYGNIOS-LLVKDONJSA-N 1 2 226.320 0.502 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NC1CCCCC1 ZINC000934024971 631601961 /nfs/dbraw/zinc/60/19/61/631601961.db2.gz BYBFYWPMYGNIOS-LLVKDONJSA-N 1 2 226.320 0.502 20 0 BCADLO COc1coc(C[N@@H+]2CC[C@H]2CO)cc1=O ZINC000934027909 631614730 /nfs/dbraw/zinc/61/47/30/631614730.db2.gz SSFCSZPWYDKLAI-QMMMGPOBSA-N 1 2 225.244 0.215 20 0 BCADLO COc1coc(C[N@H+]2CC[C@H]2CO)cc1=O ZINC000934027909 631614736 /nfs/dbraw/zinc/61/47/36/631614736.db2.gz SSFCSZPWYDKLAI-QMMMGPOBSA-N 1 2 225.244 0.215 20 0 BCADLO COc1cc(C)nc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934018387 631617165 /nfs/dbraw/zinc/61/71/65/631617165.db2.gz VZSWDBJFBPTWJZ-LLVKDONJSA-N 1 2 222.288 0.965 20 0 BCADLO COc1cc(C)nc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934018387 631617169 /nfs/dbraw/zinc/61/71/69/631617169.db2.gz VZSWDBJFBPTWJZ-LLVKDONJSA-N 1 2 222.288 0.965 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934023706 631623967 /nfs/dbraw/zinc/62/39/67/631623967.db2.gz UXAFXXBLZHRTFE-QWRGUYRKSA-N 1 2 220.272 0.280 20 0 BCADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934023706 631623956 /nfs/dbraw/zinc/62/39/56/631623956.db2.gz UXAFXXBLZHRTFE-QWRGUYRKSA-N 1 2 220.272 0.280 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cscn1)[C@H](C)CO ZINC000248976288 635685442 /nfs/dbraw/zinc/68/54/42/635685442.db2.gz UOHHSIIWLZNRSF-RKDXNWHRSA-N 1 2 230.333 0.707 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cscn1)[C@H](C)CO ZINC000248976288 635685447 /nfs/dbraw/zinc/68/54/47/635685447.db2.gz UOHHSIIWLZNRSF-RKDXNWHRSA-N 1 2 230.333 0.707 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1nnnn1C ZINC000934113857 631688988 /nfs/dbraw/zinc/68/89/88/631688988.db2.gz PLILLNUVBUXVMD-IWSPIJDZSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1nnnn1C ZINC000934113857 631688991 /nfs/dbraw/zinc/68/89/91/631688991.db2.gz PLILLNUVBUXVMD-IWSPIJDZSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)CCS(C)(=O)=O ZINC000934125327 631703549 /nfs/dbraw/zinc/70/35/49/631703549.db2.gz KFUKZEUAWOPPRT-BDAKNGLRSA-N 1 2 221.322 0.140 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)CCS(C)(=O)=O ZINC000934125327 631703556 /nfs/dbraw/zinc/70/35/56/631703556.db2.gz KFUKZEUAWOPPRT-BDAKNGLRSA-N 1 2 221.322 0.140 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934132666 631707740 /nfs/dbraw/zinc/70/77/40/631707740.db2.gz VFYQMRRJJXOGNK-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934132666 631707744 /nfs/dbraw/zinc/70/77/44/631707744.db2.gz VFYQMRRJJXOGNK-VHSXEESVSA-N 1 2 235.349 0.530 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2cncs2)C1=O ZINC000934195726 631726763 /nfs/dbraw/zinc/72/67/63/631726763.db2.gz QOYLXWCABJUFNB-SFYZADRCSA-N 1 2 241.316 0.956 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CO)C1CC1 ZINC000309040970 631822582 /nfs/dbraw/zinc/82/25/82/631822582.db2.gz LFNDICYNLWXMFD-VHSXEESVSA-N 1 2 215.293 0.689 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)C(C)(C)C ZINC000309064534 631830869 /nfs/dbraw/zinc/83/08/69/631830869.db2.gz YOHFPCULTNYLOW-SECBINFHSA-N 1 2 217.309 0.936 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000934569434 631933237 /nfs/dbraw/zinc/93/32/37/631933237.db2.gz GSJQYKALZBSCNP-GRYCIOLGSA-N 1 2 246.326 0.112 20 0 BCADLO Cc1noc(CCC[N@@H+]2CC[C@H](O)[C@H](F)C2)n1 ZINC000934568419 631937723 /nfs/dbraw/zinc/93/77/23/631937723.db2.gz WALAOZYJEAHIQD-ZJUUUORDSA-N 1 2 243.282 0.715 20 0 BCADLO Cc1noc(CCC[N@H+]2CC[C@H](O)[C@H](F)C2)n1 ZINC000934568419 631937724 /nfs/dbraw/zinc/93/77/24/631937724.db2.gz WALAOZYJEAHIQD-ZJUUUORDSA-N 1 2 243.282 0.715 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@H](O)[C@H](F)C2)CCO1 ZINC000934570269 631939238 /nfs/dbraw/zinc/93/92/38/631939238.db2.gz CUWYVEJLQYXMTM-UTUOFQBUSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@H](O)[C@H](F)C2)CCO1 ZINC000934570269 631939245 /nfs/dbraw/zinc/93/92/45/631939245.db2.gz CUWYVEJLQYXMTM-UTUOFQBUSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CC[C@H](O)[C@H](F)C2)CCO1 ZINC000934570269 631939252 /nfs/dbraw/zinc/93/92/52/631939252.db2.gz CUWYVEJLQYXMTM-UTUOFQBUSA-N 1 2 246.326 0.112 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CC[C@H](O)[C@H](F)C2)CCO1 ZINC000934570269 631939257 /nfs/dbraw/zinc/93/92/57/631939257.db2.gz CUWYVEJLQYXMTM-UTUOFQBUSA-N 1 2 246.326 0.112 20 0 BCADLO O=c1ccccn1CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934570616 631944025 /nfs/dbraw/zinc/94/40/25/631944025.db2.gz MASARLVOWZZSTO-WDEREUQCSA-N 1 2 240.278 0.253 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934570616 631944030 /nfs/dbraw/zinc/94/40/30/631944030.db2.gz MASARLVOWZZSTO-WDEREUQCSA-N 1 2 240.278 0.253 20 0 BCADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@@H]2CCO[C@H]21 ZINC000309358926 632011203 /nfs/dbraw/zinc/01/12/03/632011203.db2.gz ADOPATFEJKRVHJ-SGIHWFKDSA-N 1 2 225.288 0.705 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000924466460 632114528 /nfs/dbraw/zinc/11/45/28/632114528.db2.gz UHHHDGXOFKKSPF-JQWIXIFHSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000308911791 632411909 /nfs/dbraw/zinc/41/19/09/632411909.db2.gz XGBOKCIHFSVJAO-GUBZILKMSA-N 1 2 213.277 0.443 20 0 BCADLO CC[C@@H]([NH2+][C@@H](C)c1nonc1C)C(=O)NC ZINC000926553061 632493577 /nfs/dbraw/zinc/49/35/77/632493577.db2.gz SVBQDQJVURAUDF-POYBYMJQSA-N 1 2 226.280 0.553 20 0 BCADLO COC(C[N@@H+]1CCC[C@H]1c1nncn1C)OC ZINC000162193524 632547835 /nfs/dbraw/zinc/54/78/35/632547835.db2.gz IZIPAKUGLLXNOZ-VIFPVBQESA-N 1 2 240.307 0.571 20 0 BCADLO COC(C[N@H+]1CCC[C@H]1c1nncn1C)OC ZINC000162193524 632547839 /nfs/dbraw/zinc/54/78/39/632547839.db2.gz IZIPAKUGLLXNOZ-VIFPVBQESA-N 1 2 240.307 0.571 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1c[nH+]cn1C ZINC000291444881 632652563 /nfs/dbraw/zinc/65/25/63/632652563.db2.gz BFECEQXMEAYQIU-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOC/C=C/Cl ZINC000291998263 632653160 /nfs/dbraw/zinc/65/31/60/632653160.db2.gz NSVCIWKGBZZRRQ-NSCUHMNNSA-N 1 2 244.682 0.903 20 0 BCADLO CC[C@](C)([NH2+]CCC1OCCO1)C(=O)OC ZINC000309938933 632684395 /nfs/dbraw/zinc/68/43/95/632684395.db2.gz ATMMIHVWXODCFB-NSHDSACASA-N 1 2 231.292 0.681 20 0 BCADLO CN(C)c1cc(N(C)CCn2cccn2)nc[nH+]1 ZINC000892462943 632732256 /nfs/dbraw/zinc/73/22/56/632732256.db2.gz XJNPMHCTHZGPQC-UHFFFAOYSA-N 1 2 246.318 0.876 20 0 BCADLO CN(C)c1cc(N(C)CCn2cccn2)[nH+]cn1 ZINC000892462943 632732259 /nfs/dbraw/zinc/73/22/59/632732259.db2.gz XJNPMHCTHZGPQC-UHFFFAOYSA-N 1 2 246.318 0.876 20 0 BCADLO CCOCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179516240 632741023 /nfs/dbraw/zinc/74/10/23/632741023.db2.gz FLARWIAZOFAPRJ-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCNC2=O)n1 ZINC000926671701 632802506 /nfs/dbraw/zinc/80/25/06/632802506.db2.gz JZKRHCWIRMREGZ-CBAPKCEASA-N 1 2 237.307 0.146 20 0 BCADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCNC2=O)n1 ZINC000926671702 632802788 /nfs/dbraw/zinc/80/27/88/632802788.db2.gz JZKRHCWIRMREGZ-IONNQARKSA-N 1 2 237.307 0.146 20 0 BCADLO CCOC(=O)C[N@H+](CC)CC[C@H]1CCOC1=O ZINC000177659801 632856437 /nfs/dbraw/zinc/85/64/37/632856437.db2.gz FHIMMXGCWYLHRS-JTQLQIEISA-N 1 2 243.303 0.825 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CC[C@H]1CCOC1=O ZINC000177659801 632856442 /nfs/dbraw/zinc/85/64/42/632856442.db2.gz FHIMMXGCWYLHRS-JTQLQIEISA-N 1 2 243.303 0.825 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1cc(OC)no1 ZINC000924562011 632861736 /nfs/dbraw/zinc/86/17/36/632861736.db2.gz QSZUEVKOEFVQCE-MRVPVSSYSA-N 1 2 241.291 0.860 20 0 BCADLO CC(C)CC(=O)NNC(=O)[C@H](C)n1cc[nH+]c1 ZINC000048502376 635859731 /nfs/dbraw/zinc/85/97/31/635859731.db2.gz FDUOQNBBYNLVST-VIFPVBQESA-N 1 2 238.291 0.638 20 0 BCADLO CN1C(=O)CC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792202299 635918881 /nfs/dbraw/zinc/91/88/81/635918881.db2.gz OUWLLVRJAFAMBG-SECBINFHSA-N 1 2 249.270 0.328 20 0 BCADLO C[C@H](CCO)CNc1cc(N(C)C)nc[nH+]1 ZINC000892729430 633202812 /nfs/dbraw/zinc/20/28/12/633202812.db2.gz BGCFHJXBSNUIJV-SECBINFHSA-N 1 2 224.308 0.973 20 0 BCADLO C[C@H](CCO)CNc1cc(N(C)C)[nH+]cn1 ZINC000892729430 633202816 /nfs/dbraw/zinc/20/28/16/633202816.db2.gz BGCFHJXBSNUIJV-SECBINFHSA-N 1 2 224.308 0.973 20 0 BCADLO COCC[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000053258507 633220339 /nfs/dbraw/zinc/22/03/39/633220339.db2.gz AVMBRRAXBVGKHW-JTQLQIEISA-N 1 2 231.292 0.191 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cnnn3C)C2)[nH]1 ZINC000895006943 636016025 /nfs/dbraw/zinc/01/60/25/636016025.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cnnn3C)C2)[nH]1 ZINC000895006943 636016028 /nfs/dbraw/zinc/01/60/28/636016028.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC000895006943 636016033 /nfs/dbraw/zinc/01/60/33/636016033.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cnnn3C)C2)n1 ZINC000895006943 636016038 /nfs/dbraw/zinc/01/60/38/636016038.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000307063794 635981047 /nfs/dbraw/zinc/98/10/47/635981047.db2.gz OPGGQMXWOJBJNN-VXNVDRBHSA-N 1 2 227.695 0.943 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000307063794 635981055 /nfs/dbraw/zinc/98/10/55/635981055.db2.gz OPGGQMXWOJBJNN-VXNVDRBHSA-N 1 2 227.695 0.943 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000307063476 635981531 /nfs/dbraw/zinc/98/15/31/635981531.db2.gz OPGGQMXWOJBJNN-CBAPKCEASA-N 1 2 227.695 0.943 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000307063476 635981535 /nfs/dbraw/zinc/98/15/35/635981535.db2.gz OPGGQMXWOJBJNN-CBAPKCEASA-N 1 2 227.695 0.943 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nc1nc2n(n1)CCCC2 ZINC000909437844 636042450 /nfs/dbraw/zinc/04/24/50/636042450.db2.gz LBKXKYBWRHIXKM-UHFFFAOYSA-N 1 2 246.274 0.519 20 0 BCADLO CC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928553535 636088519 /nfs/dbraw/zinc/08/85/19/636088519.db2.gz FZNRTQSNQYFOBG-VIFPVBQESA-N 1 2 210.277 0.176 20 0 BCADLO CC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928553535 636088523 /nfs/dbraw/zinc/08/85/23/636088523.db2.gz FZNRTQSNQYFOBG-VIFPVBQESA-N 1 2 210.277 0.176 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000893093254 633828730 /nfs/dbraw/zinc/82/87/30/633828730.db2.gz QUTNPJCUXKQPKA-SSDOTTSWSA-N 1 2 239.279 0.049 20 0 BCADLO C[N@H+](Cc1ccc(Cl)nn1)C(C)(C)C(N)=O ZINC000930596402 633922590 /nfs/dbraw/zinc/92/25/90/633922590.db2.gz LRLCDLVJDCECFW-UHFFFAOYSA-N 1 2 242.710 0.826 20 0 BCADLO C[N@@H+](Cc1ccc(Cl)nn1)C(C)(C)C(N)=O ZINC000930596402 633922598 /nfs/dbraw/zinc/92/25/98/633922598.db2.gz LRLCDLVJDCECFW-UHFFFAOYSA-N 1 2 242.710 0.826 20 0 BCADLO Nc1cc(COC(=O)C2CC(=O)C2)cc[nH+]1 ZINC000309591788 633961244 /nfs/dbraw/zinc/96/12/44/633961244.db2.gz ZVIZXPZFMLYFSH-UHFFFAOYSA-N 1 2 220.228 0.686 20 0 BCADLO OC[C@@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000309631961 633978414 /nfs/dbraw/zinc/97/84/14/633978414.db2.gz KUJLUCDIUIUVMW-SECBINFHSA-N 1 2 223.276 0.808 20 0 BCADLO Cc1cnc(C[NH2+]C2(C(N)=O)CCCC2)o1 ZINC000309689478 633988701 /nfs/dbraw/zinc/98/87/01/633988701.db2.gz IRTBTVRINAZXHG-UHFFFAOYSA-N 1 2 223.276 0.871 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930737335 634075224 /nfs/dbraw/zinc/07/52/24/634075224.db2.gz HGQSYGVXGPGILY-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000930737335 634075234 /nfs/dbraw/zinc/07/52/34/634075234.db2.gz HGQSYGVXGPGILY-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC000930747657 634083318 /nfs/dbraw/zinc/08/33/18/634083318.db2.gz MFRWCHSIBPSNAF-MWLCHTKSSA-N 1 2 234.303 0.748 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC000930747657 634083329 /nfs/dbraw/zinc/08/33/29/634083329.db2.gz MFRWCHSIBPSNAF-MWLCHTKSSA-N 1 2 234.303 0.748 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000924126513 634104597 /nfs/dbraw/zinc/10/45/97/634104597.db2.gz SPTWIDHLXSPRQR-RKDXNWHRSA-N 1 2 222.244 0.742 20 0 BCADLO Cn1c[nH+]cc1CN[C@@]1(C)CC(C)(C)OC1=O ZINC000930872881 634145841 /nfs/dbraw/zinc/14/58/41/634145841.db2.gz AWLDLBDGMFVZPD-LBPRGKRZSA-N 1 2 237.303 0.994 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2C)C1 ZINC000189149575 634165796 /nfs/dbraw/zinc/16/57/96/634165796.db2.gz XKBNDNUKRSJJRD-NXEZZACHSA-N 1 2 244.360 0.629 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2C)C1 ZINC000189149575 634165806 /nfs/dbraw/zinc/16/58/06/634165806.db2.gz XKBNDNUKRSJJRD-NXEZZACHSA-N 1 2 244.360 0.629 20 0 BCADLO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000931041040 634192944 /nfs/dbraw/zinc/19/29/44/634192944.db2.gz GEQKWBAFELYEGW-HTQZYQBOSA-N 1 2 225.296 0.035 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]1CO ZINC000931222128 634275934 /nfs/dbraw/zinc/27/59/34/634275934.db2.gz JLABQICQSNBQQT-JTQLQIEISA-N 1 2 246.270 0.933 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]1CO ZINC000931222129 634276660 /nfs/dbraw/zinc/27/66/60/634276660.db2.gz JLABQICQSNBQQT-SNVBAGLBSA-N 1 2 246.270 0.933 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC1OCCO1 ZINC000194667083 634328963 /nfs/dbraw/zinc/32/89/63/634328963.db2.gz KGADVOYCDVOZSZ-UHFFFAOYSA-N 1 2 235.247 0.241 20 0 BCADLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](CCF)CC1 ZINC000980671066 635253390 /nfs/dbraw/zinc/25/33/90/635253390.db2.gz MTNIFMGSZOBAKA-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO CO[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980784756 635274149 /nfs/dbraw/zinc/27/41/49/635274149.db2.gz AWLYXEGVYQGDRR-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CO[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980784756 635274151 /nfs/dbraw/zinc/27/41/51/635274151.db2.gz AWLYXEGVYQGDRR-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO Nc1cc(COC(=O)c2cnccn2)cc[nH+]1 ZINC000791497895 635846009 /nfs/dbraw/zinc/84/60/09/635846009.db2.gz SNKORXUVXPFSLI-UHFFFAOYSA-N 1 2 230.227 0.811 20 0 BCADLO C[C@H](CCO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000894409176 635891872 /nfs/dbraw/zinc/89/18/72/635891872.db2.gz LBBOVUZOHBRUKZ-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO C[C@H](CCO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000894409176 635891876 /nfs/dbraw/zinc/89/18/76/635891876.db2.gz LBBOVUZOHBRUKZ-SECBINFHSA-N 1 2 224.308 0.750 20 0 BCADLO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000894787488 635924883 /nfs/dbraw/zinc/92/48/83/635924883.db2.gz POJLCIVDQJQMRS-DGCLKSJQSA-N 1 2 245.282 0.994 20 0 BCADLO C[C@@H]1COC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000895907363 636182689 /nfs/dbraw/zinc/18/26/89/636182689.db2.gz CKSHJUMLVSDGRK-RKDXNWHRSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@@H]1COC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000895907363 636182694 /nfs/dbraw/zinc/18/26/94/636182694.db2.gz CKSHJUMLVSDGRK-RKDXNWHRSA-N 1 2 222.292 0.989 20 0 BCADLO Cn1nccc1[C@H](O)CNc1cc[nH+]cc1F ZINC000896628550 636206944 /nfs/dbraw/zinc/20/69/44/636206944.db2.gz PIGMTJBMIULHET-LLVKDONJSA-N 1 2 236.250 0.522 20 0 BCADLO Cc1nc(NC[C@@H](O)c2ccnn2C)cc[nH+]1 ZINC000896630819 636209162 /nfs/dbraw/zinc/20/91/62/636209162.db2.gz UUVZQEVOMOOJOB-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCF ZINC000928647590 636258689 /nfs/dbraw/zinc/25/86/89/636258689.db2.gz IBOUIDMXXZOACJ-NSHDSACASA-N 1 2 246.326 0.963 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+](C)CCO ZINC000304329407 636322640 /nfs/dbraw/zinc/32/26/40/636322640.db2.gz RAUIJTFUAHMEKW-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)CCO ZINC000304329407 636322644 /nfs/dbraw/zinc/32/26/44/636322644.db2.gz RAUIJTFUAHMEKW-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)[C@H]1C ZINC000985852105 636425069 /nfs/dbraw/zinc/42/50/69/636425069.db2.gz BIXLLJYKJLLMPD-GMSGAONNSA-N 1 2 240.332 0.637 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC000985835436 636427784 /nfs/dbraw/zinc/42/77/84/636427784.db2.gz YRBSZLDCRRFORH-XVKPBYJWSA-N 1 2 238.291 0.477 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COC[C@H]1C ZINC000928917059 636512027 /nfs/dbraw/zinc/51/20/27/636512027.db2.gz HRTMCLSEQCBDFE-KKZNHRDASA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COC[C@H]1C ZINC000928917059 636512033 /nfs/dbraw/zinc/51/20/33/636512033.db2.gz HRTMCLSEQCBDFE-KKZNHRDASA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1OC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000871779324 636532159 /nfs/dbraw/zinc/53/21/59/636532159.db2.gz ARPKGTCZJAKHDZ-LURJTMIESA-N 1 2 209.205 0.287 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)c1csnn1 ZINC000872210393 636576202 /nfs/dbraw/zinc/57/62/02/636576202.db2.gz YEVBKBCDVCYXEW-JGVFFNPUSA-N 1 2 245.348 0.711 20 0 BCADLO CNc1cc(N2CC[C@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000127637416 636654178 /nfs/dbraw/zinc/65/41/78/636654178.db2.gz WZHJLUWKGNTTLV-IUCAKERBSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2CC[C@H](O)[C@@H](C)C2)[nH+]cn1 ZINC000127637416 636654186 /nfs/dbraw/zinc/65/41/86/636654186.db2.gz WZHJLUWKGNTTLV-IUCAKERBSA-N 1 2 222.292 0.725 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C[C@@H]1C ZINC000987633367 636656582 /nfs/dbraw/zinc/65/65/82/636656582.db2.gz QFIVYIHUXTVQCE-IONNQARKSA-N 1 2 240.332 0.637 20 0 BCADLO O=C(OC1CCCC1)N1CC[NH+](CCO)CC1 ZINC000244058927 636723439 /nfs/dbraw/zinc/72/34/39/636723439.db2.gz TXOGKCUFOBMTEM-UHFFFAOYSA-N 1 2 242.319 0.676 20 0 BCADLO Cc1cc(NC[C@@H](O)CO)nc(C2CCC2)[nH+]1 ZINC000897551849 636817437 /nfs/dbraw/zinc/81/74/37/636817437.db2.gz BRDZCXWHZUORDO-SNVBAGLBSA-N 1 2 237.303 0.818 20 0 BCADLO CCc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897865792 636839090 /nfs/dbraw/zinc/83/90/90/636839090.db2.gz MBODQZWFESEFCL-QMMMGPOBSA-N 1 2 237.307 0.078 20 0 BCADLO CCc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897865792 636839093 /nfs/dbraw/zinc/83/90/93/636839093.db2.gz MBODQZWFESEFCL-QMMMGPOBSA-N 1 2 237.307 0.078 20 0 BCADLO COC(OC)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898503005 637046070 /nfs/dbraw/zinc/04/60/70/637046070.db2.gz GDWDZVGOMKVNLM-SECBINFHSA-N 1 2 248.298 0.155 20 0 BCADLO COC(OC)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898503005 637046074 /nfs/dbraw/zinc/04/60/74/637046074.db2.gz GDWDZVGOMKVNLM-SECBINFHSA-N 1 2 248.298 0.155 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC12CCC2 ZINC000898888928 637063904 /nfs/dbraw/zinc/06/39/04/637063904.db2.gz SEONOUMDLYGHNC-UWVGGRQHSA-N 1 2 249.314 0.760 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cnn(C)n1 ZINC000924752842 637079335 /nfs/dbraw/zinc/07/93/35/637079335.db2.gz HWOIBSSMBAYTJY-IYSWYEEDSA-N 1 2 238.213 0.389 20 0 BCADLO C/C(=C/C(=O)NC(C)C)C[NH+]1CCOCC1 ZINC000899902462 637150976 /nfs/dbraw/zinc/15/09/76/637150976.db2.gz REGHUGXLRKCPRP-FLIBITNWSA-N 1 2 226.320 0.790 20 0 BCADLO COC(=O)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900907500 637202121 /nfs/dbraw/zinc/20/21/21/637202121.db2.gz IWDLHZIMCWPZBZ-JTQLQIEISA-N 1 2 237.259 0.020 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000900908241 637202253 /nfs/dbraw/zinc/20/22/53/637202253.db2.gz OKWAEGUQUASZCA-PHIMTYICSA-N 1 2 247.298 0.883 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H](O)C2CC2)[nH+]c1C ZINC000901000683 637224762 /nfs/dbraw/zinc/22/47/62/637224762.db2.gz PQIOXDXDSJXGRP-JTQLQIEISA-N 1 2 223.276 0.414 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CC1CC1 ZINC000901297323 637241470 /nfs/dbraw/zinc/24/14/70/637241470.db2.gz VJTHRLLEBLQFNU-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H]1CC(=O)N(CCCc2c[nH+]cn2C)C1=O ZINC000902284228 637286982 /nfs/dbraw/zinc/28/69/82/637286982.db2.gz UKQQEDHIALEELN-SECBINFHSA-N 1 2 235.287 0.748 20 0 BCADLO CCn1cnc(C[NH2+]CC(=O)N(C)OC)c1 ZINC000902649872 637320146 /nfs/dbraw/zinc/32/01/46/637320146.db2.gz GWGNZQUVIMKSQM-UHFFFAOYSA-N 1 2 226.280 0.012 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1=O ZINC000902651607 637321636 /nfs/dbraw/zinc/32/16/36/637321636.db2.gz GVGGQTLQIOSJQC-UWVGGRQHSA-N 1 2 222.292 0.414 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1=O ZINC000902651607 637321640 /nfs/dbraw/zinc/32/16/40/637321640.db2.gz GVGGQTLQIOSJQC-UWVGGRQHSA-N 1 2 222.292 0.414 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC000902652029 637321911 /nfs/dbraw/zinc/32/19/11/637321911.db2.gz OXAPYRDSQOYITG-QWRGUYRKSA-N 1 2 236.319 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC000902652029 637321912 /nfs/dbraw/zinc/32/19/12/637321912.db2.gz OXAPYRDSQOYITG-QWRGUYRKSA-N 1 2 236.319 0.722 20 0 BCADLO CCN(CC(N)=O)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000904831369 637497135 /nfs/dbraw/zinc/49/71/35/637497135.db2.gz LHGHPQDXYLWEOZ-UHFFFAOYSA-N 1 2 249.314 0.954 20 0 BCADLO CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905146385 637657235 /nfs/dbraw/zinc/65/72/35/637657235.db2.gz VJGCGRJZXXAXAZ-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CC(F)(F)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905266250 637718799 /nfs/dbraw/zinc/71/87/99/637718799.db2.gz CIBKGXRDBWDPGK-MRVPVSSYSA-N 1 2 239.262 0.134 20 0 BCADLO N[C@@H](CC1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905328520 637741928 /nfs/dbraw/zinc/74/19/28/637741928.db2.gz BHHYEKMXQFRFCQ-ZETCQYMHSA-N 1 2 208.265 0.817 20 0 BCADLO CNC(=O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000905306448 637764533 /nfs/dbraw/zinc/76/45/33/637764533.db2.gz GKPDYWDKPQLUDN-UHFFFAOYSA-N 1 2 249.314 0.825 20 0 BCADLO CON1CC[C@H]([NH2+][C@@H](C)c2ccn(C)n2)C1=O ZINC000905772946 637928941 /nfs/dbraw/zinc/92/89/41/637928941.db2.gz QSIMRINTLJYVSW-WPRPVWTQSA-N 1 2 238.291 0.233 20 0 BCADLO Nc1ccc(Cn2cc([C@H](O)C3CC3)nn2)c[nH+]1 ZINC000905814528 637941747 /nfs/dbraw/zinc/94/17/47/637941747.db2.gz BGQHDJCGJAGWMU-GFCCVEGCSA-N 1 2 245.286 0.747 20 0 BCADLO Nc1ccc(Cn2cc([C@@H](O)C3CC3)nn2)c[nH+]1 ZINC000905814530 637942238 /nfs/dbraw/zinc/94/22/38/637942238.db2.gz BGQHDJCGJAGWMU-LBPRGKRZSA-N 1 2 245.286 0.747 20 0 BCADLO Nc1ccc(Cn2cc(C3(O)CCC3)nn2)c[nH+]1 ZINC000905814659 637942731 /nfs/dbraw/zinc/94/27/31/637942731.db2.gz CPIQVVSBQRWSTA-UHFFFAOYSA-N 1 2 245.286 0.675 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817983 637944936 /nfs/dbraw/zinc/94/49/36/637944936.db2.gz YHQIBNBLZQIJAM-LBPRGKRZSA-N 1 2 247.302 0.921 20 0 BCADLO C[NH+]1CCN(CC[S@@](=O)C(F)(F)F)CC1 ZINC000905867970 637952853 /nfs/dbraw/zinc/95/28/53/637952853.db2.gz JCTDAMLBOXRGMT-OAHLLOKOSA-N 1 2 244.282 0.502 20 0 BCADLO O[C@@H](CCC1(O)CCC1)Cn1cc[nH+]c1 ZINC000905874571 637958468 /nfs/dbraw/zinc/95/84/68/637958468.db2.gz MGFJODHESNRUSC-JTQLQIEISA-N 1 2 210.277 0.939 20 0 BCADLO COC1C[NH+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905947613 637996341 /nfs/dbraw/zinc/99/63/41/637996341.db2.gz AFSFMAUMSVINJL-NSHDSACASA-N 1 2 243.347 0.763 20 0 BCADLO COC1C[NH+](C[C@H](O)CC2(O)CCCC2)C1 ZINC000905951074 637998055 /nfs/dbraw/zinc/99/80/55/637998055.db2.gz ULWAKVHBZPQYSQ-SNVBAGLBSA-N 1 2 229.320 0.373 20 0 BCADLO CCOC1C[NH+](C[C@@](C)(O)C(F)F)C1 ZINC000905955539 638003477 /nfs/dbraw/zinc/00/34/77/638003477.db2.gz HBWJWHTVNFFGQL-SECBINFHSA-N 1 2 209.236 0.723 20 0 BCADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000906131288 638067900 /nfs/dbraw/zinc/06/79/00/638067900.db2.gz WFYNKZWOMPPIAX-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000906131287 638069541 /nfs/dbraw/zinc/06/95/41/638069541.db2.gz WFYNKZWOMPPIAX-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CCc1nc[nH]c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000906198183 638115895 /nfs/dbraw/zinc/11/58/95/638115895.db2.gz DNIOVBLTCAHPCN-SECBINFHSA-N 1 2 247.302 0.987 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906266184 638131140 /nfs/dbraw/zinc/13/11/40/638131140.db2.gz FDNIJYQOFHOKDG-JTQLQIEISA-N 1 2 208.265 0.180 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906266184 638131145 /nfs/dbraw/zinc/13/11/45/638131145.db2.gz FDNIJYQOFHOKDG-JTQLQIEISA-N 1 2 208.265 0.180 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906291152 638132424 /nfs/dbraw/zinc/13/24/24/638132424.db2.gz TWLBKFBSEWOVBL-GZMMTYOYSA-N 1 2 222.292 0.568 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906291152 638132429 /nfs/dbraw/zinc/13/24/29/638132429.db2.gz TWLBKFBSEWOVBL-GZMMTYOYSA-N 1 2 222.292 0.568 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cn(C2CC2)nn1 ZINC000906301755 638136069 /nfs/dbraw/zinc/13/60/69/638136069.db2.gz ZHZCZMNHEQCTIQ-GZMMTYOYSA-N 1 2 249.318 0.227 20 0 BCADLO c1nc2c([nH]1)C[N@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906307415 638139115 /nfs/dbraw/zinc/13/91/15/638139115.db2.gz LLMVMTLYQGNMOF-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO c1nc2c([nH]1)C[N@@H+](Cc1cn(C3CC3)nn1)CC2 ZINC000906307415 638139121 /nfs/dbraw/zinc/13/91/21/638139121.db2.gz LLMVMTLYQGNMOF-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO CNC(=O)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906419467 638164885 /nfs/dbraw/zinc/16/48/85/638164885.db2.gz KYMWQCLMANOSOL-UHFFFAOYSA-N 1 2 249.314 0.873 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CCCC(=O)N2C)cc[nH+]1 ZINC000906662553 638230244 /nfs/dbraw/zinc/23/02/44/638230244.db2.gz XUKXZRCEOWPJAF-NSHDSACASA-N 1 2 247.298 0.761 20 0 BCADLO COC(=O)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000906946047 638275156 /nfs/dbraw/zinc/27/51/56/638275156.db2.gz OHRWZOWSXQZDRU-UHFFFAOYSA-N 1 2 225.248 0.206 20 0 BCADLO C/C(=C\C(=O)N1CC(F)C1)C[NH+]1CCOCC1 ZINC000907324998 638355399 /nfs/dbraw/zinc/35/53/99/638355399.db2.gz BHRWZONCRAWJPY-UXBLZVDNSA-N 1 2 242.294 0.445 20 0 BCADLO C[C@@H]1OCC[C@@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907327193 638357299 /nfs/dbraw/zinc/35/72/99/638357299.db2.gz PWOJBAGZBIGZHL-GZMMTYOYSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC2(CCC2)C1 ZINC000907373454 638365299 /nfs/dbraw/zinc/36/52/99/638365299.db2.gz NQHZUZICTIVNIS-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907374754 638365423 /nfs/dbraw/zinc/36/54/23/638365423.db2.gz QFTQGXZTWUNESP-NSHDSACASA-N 1 2 223.276 0.326 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907526812 638397223 /nfs/dbraw/zinc/39/72/23/638397223.db2.gz TYYIQYFNOBORGS-LTFJCZIQSA-N 1 2 235.287 0.251 20 0 BCADLO CO[C@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000907637500 638429411 /nfs/dbraw/zinc/42/94/11/638429411.db2.gz ZVVBPHLMPZAHAZ-SECBINFHSA-N 1 2 223.276 0.645 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)CNc1cccc[nH+]1 ZINC000907665007 638438295 /nfs/dbraw/zinc/43/82/95/638438295.db2.gz VYKQNNPGRFWWND-ZJUUUORDSA-N 1 2 235.287 0.475 20 0 BCADLO C[C@@H](O)CCCNC(=O)CNc1cccc[nH+]1 ZINC000907833319 638482333 /nfs/dbraw/zinc/48/23/33/638482333.db2.gz FXMXJDODISAHNK-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000907857184 638488976 /nfs/dbraw/zinc/48/89/76/638488976.db2.gz IFEUOYOCYYMHFU-VIFPVBQESA-N 1 2 223.276 0.182 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000907891006 638500862 /nfs/dbraw/zinc/50/08/62/638500862.db2.gz PODKHHWYWNMFJN-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCOCC12CC2 ZINC000908060082 638557072 /nfs/dbraw/zinc/55/70/72/638557072.db2.gz SVQCMKGFGKJXLT-UHFFFAOYSA-N 1 2 247.298 0.885 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(C1)CCCOC2 ZINC000908083659 638562633 /nfs/dbraw/zinc/56/26/33/638562633.db2.gz LLSQDNQTPAZBEO-CYBMUJFWSA-N 1 2 249.314 0.981 20 0 BCADLO C[C@H]1CSC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908150409 638573196 /nfs/dbraw/zinc/57/31/96/638573196.db2.gz HOGYEVOTRRVBCL-CBAPKCEASA-N 1 2 225.317 0.820 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908135160 638579934 /nfs/dbraw/zinc/57/99/34/638579934.db2.gz YQKCANFXGKMQFP-WUIHGDLDSA-N 1 2 235.287 0.251 20 0 BCADLO CO[C@H](C)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000908177944 638586668 /nfs/dbraw/zinc/58/66/68/638586668.db2.gz OGKYDGQMQXKUGF-SNVBAGLBSA-N 1 2 237.303 0.987 20 0 BCADLO CC1(C)[C@H](O)CCN1C(=O)CNc1cccc[nH+]1 ZINC000908321193 638642893 /nfs/dbraw/zinc/64/28/93/638642893.db2.gz WIAWGJGJICXWHJ-SNVBAGLBSA-N 1 2 249.314 0.865 20 0 BCADLO C[C@@]1(NC(=O)CNc2cccc[nH+]2)CCOC1=O ZINC000908291909 638645069 /nfs/dbraw/zinc/64/50/69/638645069.db2.gz CUCVSFYUOQIUOF-GFCCVEGCSA-N 1 2 249.270 0.315 20 0 BCADLO C=C=CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908333520 638653783 /nfs/dbraw/zinc/65/37/83/638653783.db2.gz FLVJCTBZGJOIML-BENRWUELSA-N 1 2 236.315 0.722 20 0 BCADLO CCN(CC(C)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000908387317 638667778 /nfs/dbraw/zinc/66/77/78/638667778.db2.gz KVNVUGYHCCSQRB-LLVKDONJSA-N 1 2 249.314 0.883 20 0 BCADLO COC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908406635 638697439 /nfs/dbraw/zinc/69/74/39/638697439.db2.gz HEFVJMYDHXXULK-SECBINFHSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CO)CC1 ZINC000908453268 638741216 /nfs/dbraw/zinc/74/12/16/638741216.db2.gz UXTPOAMWLVSBCM-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO C[C@H](CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908515690 638753236 /nfs/dbraw/zinc/75/32/36/638753236.db2.gz AFKLPOTUNVLDST-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000908518534 638754960 /nfs/dbraw/zinc/75/49/60/638754960.db2.gz FGXJRZBVTNHHMI-JTQLQIEISA-N 1 2 237.303 0.723 20 0 BCADLO CC(=O)CN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000908504753 639001019 /nfs/dbraw/zinc/00/10/19/639001019.db2.gz OJQQBMLWBFLJGY-UHFFFAOYSA-N 1 2 223.276 0.778 20 0 BCADLO C[C@H](CCCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908545562 639009952 /nfs/dbraw/zinc/00/99/52/639009952.db2.gz ORRCUTPUQHKZIY-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](O)C(F)F ZINC000908556326 639012395 /nfs/dbraw/zinc/01/23/95/639012395.db2.gz YSJZHRIQGCCNPG-APPZFPTMSA-N 1 2 247.245 0.473 20 0 BCADLO C/C(=C/C(=O)NOC(C)C)C[NH+]1CCOCC1 ZINC000908570138 639021920 /nfs/dbraw/zinc/02/19/20/639021920.db2.gz MHQTWNSXFNEPPH-FLIBITNWSA-N 1 2 242.319 0.721 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@](O)(C(F)F)C1 ZINC000908689335 639044960 /nfs/dbraw/zinc/04/49/60/639044960.db2.gz VMGISXYDIKFCEH-JTQLQIEISA-N 1 2 245.229 0.181 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908697393 639049154 /nfs/dbraw/zinc/04/91/54/639049154.db2.gz PRSTYHHWXWPSMZ-PSASIEDQSA-N 1 2 223.276 0.324 20 0 BCADLO O=C(C[NH+]1CCCC1)Nc1cccc2[nH]nnc21 ZINC000908700940 639052468 /nfs/dbraw/zinc/05/24/68/639052468.db2.gz RIPWPVIHMCCUKI-UHFFFAOYSA-N 1 2 245.286 0.992 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1C ZINC000908759352 639063907 /nfs/dbraw/zinc/06/39/07/639063907.db2.gz FODYKGGOKBFSTI-SECBINFHSA-N 1 2 245.286 0.280 20 0 BCADLO CC[C@H](NC(=O)CNc1cccc[nH+]1)[C@@H](C)O ZINC000909024964 639128134 /nfs/dbraw/zinc/12/81/34/639128134.db2.gz JBDDGJPXIKMJMV-ZJUUUORDSA-N 1 2 237.303 0.769 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[C@@H]1O ZINC000909225030 639180147 /nfs/dbraw/zinc/18/01/47/639180147.db2.gz YWGKSTFPGZICDP-KOLCDFICSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H](O)CN(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000909266184 639188962 /nfs/dbraw/zinc/18/89/62/639188962.db2.gz LEXGVEYCQDZVKA-ZETCQYMHSA-N 1 2 247.245 0.427 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC1CSC1 ZINC000909310151 639202980 /nfs/dbraw/zinc/20/29/80/639202980.db2.gz XECMBBRBVGZOFD-UHFFFAOYSA-N 1 2 237.328 0.973 20 0 BCADLO CC[C@H](CO)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856525 639233209 /nfs/dbraw/zinc/23/32/09/639233209.db2.gz NHNWRHHLGOBDQJ-SECBINFHSA-N 1 2 225.292 0.097 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CS1 ZINC000910424421 639444833 /nfs/dbraw/zinc/44/48/33/639444833.db2.gz LAQUNQWGMSGUMX-CBAPKCEASA-N 1 2 225.317 0.962 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CS1 ZINC000910424420 639445547 /nfs/dbraw/zinc/44/55/47/639445547.db2.gz LAQUNQWGMSGUMX-APPZFPTMSA-N 1 2 225.317 0.962 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000910559097 639481782 /nfs/dbraw/zinc/48/17/82/639481782.db2.gz HYLCDEUUIOQPOO-NXEZZACHSA-N 1 2 237.303 0.620 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH]c[nH+]2)nn1C ZINC000911202959 639596800 /nfs/dbraw/zinc/59/68/00/639596800.db2.gz KKDNBKFDTKRCMD-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2cnccc2C)C1=O ZINC000930290680 639681407 /nfs/dbraw/zinc/68/14/07/639681407.db2.gz FKQOPQVFXYLMJT-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2cnccc2C)C1=O ZINC000930290680 639681410 /nfs/dbraw/zinc/68/14/10/639681410.db2.gz FKQOPQVFXYLMJT-LBPRGKRZSA-N 1 2 249.314 0.984 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000930360295 639727533 /nfs/dbraw/zinc/72/75/33/639727533.db2.gz JVZFRNMNOJZATC-NHCYSSNCSA-N 1 2 247.310 0.980 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000930360295 639727538 /nfs/dbraw/zinc/72/75/38/639727538.db2.gz JVZFRNMNOJZATC-NHCYSSNCSA-N 1 2 247.310 0.980 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000930360292 639727640 /nfs/dbraw/zinc/72/76/40/639727640.db2.gz JVZFRNMNOJZATC-JBLDHEPKSA-N 1 2 247.310 0.980 20 0 BCADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000930360292 639727680 /nfs/dbraw/zinc/72/76/80/639727680.db2.gz JVZFRNMNOJZATC-JBLDHEPKSA-N 1 2 247.310 0.980 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000930360564 639727932 /nfs/dbraw/zinc/72/79/32/639727932.db2.gz MOKDAASLKMLYHH-NKLKJHRZSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000930360564 639727938 /nfs/dbraw/zinc/72/79/38/639727938.db2.gz MOKDAASLKMLYHH-NKLKJHRZSA-N 1 2 231.267 0.512 20 0 BCADLO CC(C)[C@@](C)([NH2+]Cc1nncs1)C(N)=O ZINC000930460155 639762212 /nfs/dbraw/zinc/76/22/12/639762212.db2.gz GIHIKKLGUGZBOF-SECBINFHSA-N 1 2 228.321 0.528 20 0 BCADLO Cc1[nH]c(CN2CCCN(C=O)CC2)c(C)[nH+]1 ZINC000930537102 639803509 /nfs/dbraw/zinc/80/35/09/639803509.db2.gz YSMGIBQQJHXSGA-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(Cc3[nH]c(C)[nH+]c3C)C[C@@H]21 ZINC000930543746 639807694 /nfs/dbraw/zinc/80/76/94/639807694.db2.gz FCMYXTRQVKZLBX-IAZYJMLFSA-N 1 2 249.314 0.877 20 0 BCADLO CCc1ncc(C[N@H+](C)C(C)(C)C(N)=O)o1 ZINC000930596004 639815504 /nfs/dbraw/zinc/81/55/04/639815504.db2.gz GWWYPTPQUXEEIN-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO CCc1ncc(C[N@@H+](C)C(C)(C)C(N)=O)o1 ZINC000930596004 639815505 /nfs/dbraw/zinc/81/55/05/639815505.db2.gz GWWYPTPQUXEEIN-UHFFFAOYSA-N 1 2 225.292 0.933 20 0 BCADLO C[C@H]1CN(C(=O)c2cccc3[nH]cnc32)CC[NH2+]1 ZINC000911802986 639824607 /nfs/dbraw/zinc/82/46/07/639824607.db2.gz NZKHOPNACWBPCE-VIFPVBQESA-N 1 2 244.298 0.997 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncccn1 ZINC000930661205 639850847 /nfs/dbraw/zinc/85/08/47/639850847.db2.gz VSBHQXNCFVCJEA-HBNTYKKESA-N 1 2 237.303 0.931 20 0 BCADLO COC[C@@H](C[NH2+][C@](C)(CO)C(=O)OC)C(C)C ZINC000930691691 639862275 /nfs/dbraw/zinc/86/22/75/639862275.db2.gz FENATXKFYXOYTL-ZYHUDNBSSA-N 1 2 247.335 0.419 20 0 BCADLO COC[C@H](C[NH2+][C@](C)(CO)C(=O)OC)C(C)C ZINC000930691688 639862338 /nfs/dbraw/zinc/86/23/38/639862338.db2.gz FENATXKFYXOYTL-CMPLNLGQSA-N 1 2 247.335 0.419 20 0 BCADLO CC[C@@H]1C[C@H]1C[NH2+][C@](C)(CO)C(=O)OC ZINC000930692580 639862984 /nfs/dbraw/zinc/86/29/84/639862984.db2.gz MHYHZAMRLSJWAH-WCABBAIRSA-N 1 2 215.293 0.546 20 0 BCADLO CC(C)=CCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930735495 639885531 /nfs/dbraw/zinc/88/55/31/639885531.db2.gz PRPKNYPKYZCYQK-UHFFFAOYSA-N 1 2 218.322 0.315 20 0 BCADLO NS(=O)(=O)C1C[NH+](CCCCCF)C1 ZINC000930735176 639886378 /nfs/dbraw/zinc/88/63/78/639886378.db2.gz VCRMIPGSEQIRNP-UHFFFAOYSA-N 1 2 224.301 0.099 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2nncs2)C1 ZINC000930748815 639894719 /nfs/dbraw/zinc/89/47/19/639894719.db2.gz LWKUVTZMZPKSJU-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2nncs2)C1 ZINC000930748815 639894724 /nfs/dbraw/zinc/89/47/24/639894724.db2.gz LWKUVTZMZPKSJU-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000930820313 639923005 /nfs/dbraw/zinc/92/30/05/639923005.db2.gz RGUHODVTQAHEIS-MWLCHTKSSA-N 1 2 244.335 0.642 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000930820313 639923007 /nfs/dbraw/zinc/92/30/07/639923007.db2.gz RGUHODVTQAHEIS-MWLCHTKSSA-N 1 2 244.335 0.642 20 0 BCADLO COC(C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C)OC ZINC000930835536 639934627 /nfs/dbraw/zinc/93/46/27/639934627.db2.gz BKRAFVMBUPVIGE-XHNCKOQMSA-N 1 2 230.308 0.203 20 0 BCADLO COC(C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C)OC ZINC000930835536 639934637 /nfs/dbraw/zinc/93/46/37/639934637.db2.gz BKRAFVMBUPVIGE-XHNCKOQMSA-N 1 2 230.308 0.203 20 0 BCADLO COCC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000912049173 639936407 /nfs/dbraw/zinc/93/64/07/639936407.db2.gz TZXDJQLXRKNGQF-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccc(N)nc1 ZINC000930839209 639936794 /nfs/dbraw/zinc/93/67/94/639936794.db2.gz KRXNAASVRJCISZ-LPEHRKFASA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000930839209 639936799 /nfs/dbraw/zinc/93/67/99/639936799.db2.gz KRXNAASVRJCISZ-LPEHRKFASA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCOC(F)F)[C@H]1C ZINC000930843439 639942935 /nfs/dbraw/zinc/94/29/35/639942935.db2.gz RPEZVHKGIJZAKW-FXQIFTODSA-N 1 2 236.262 0.823 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCOC(F)F)[C@H]1C ZINC000930843439 639942940 /nfs/dbraw/zinc/94/29/40/639942940.db2.gz RPEZVHKGIJZAKW-FXQIFTODSA-N 1 2 236.262 0.823 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nncs2)CC1 ZINC000930853191 639949980 /nfs/dbraw/zinc/94/99/80/639949980.db2.gz SYTPOVAEFBUMGB-UHFFFAOYSA-N 1 2 227.289 0.723 20 0 BCADLO Nc1nc(Cl)c(N)c(N2CCCCN2)[nH+]1 ZINC000912156740 639956497 /nfs/dbraw/zinc/95/64/97/639956497.db2.gz UJLWBAZNISLZEB-UHFFFAOYSA-N 1 2 228.687 0.399 20 0 BCADLO CC1(C)C[C@](C)([NH2+]C[C@H](O)C2CC2)C(=O)O1 ZINC000930871284 639962928 /nfs/dbraw/zinc/96/29/28/639962928.db2.gz AHBCETSMMCHTJV-CABZTGNLSA-N 1 2 227.304 0.831 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930873653 639964926 /nfs/dbraw/zinc/96/49/26/639964926.db2.gz MEUQGZVIDKRVNB-KCJUWKMLSA-N 1 2 215.293 0.831 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)[C@@H](C)O)n1 ZINC000930889106 639972866 /nfs/dbraw/zinc/97/28/66/639972866.db2.gz HJEOWMWPEGPFMI-LKEWCRSYSA-N 1 2 229.280 0.113 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)[C@@H](C)O)n1 ZINC000930889106 639972872 /nfs/dbraw/zinc/97/28/72/639972872.db2.gz HJEOWMWPEGPFMI-LKEWCRSYSA-N 1 2 229.280 0.113 20 0 BCADLO CC[C@@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000930928109 639992308 /nfs/dbraw/zinc/99/23/08/639992308.db2.gz NIBIIZFPJGIJJA-GFCCVEGCSA-N 1 2 226.320 0.454 20 0 BCADLO C[C@H]1C[NH+](Cc2nncs2)C[C@H](C)C1O ZINC000930995225 640014745 /nfs/dbraw/zinc/01/47/45/640014745.db2.gz HKAYTZSVMAXFFU-YUMQZZPRSA-N 1 2 227.333 0.987 20 0 BCADLO Cc1cn(C)nc1C[N@H+](C)C[C@H]1COCCO1 ZINC000930995983 640014783 /nfs/dbraw/zinc/01/47/83/640014783.db2.gz JLLJZNNWNZBKKL-NSHDSACASA-N 1 2 239.319 0.576 20 0 BCADLO Cc1cn(C)nc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000930995983 640014789 /nfs/dbraw/zinc/01/47/89/640014789.db2.gz JLLJZNNWNZBKKL-NSHDSACASA-N 1 2 239.319 0.576 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC3(COC3)O2)CCO1 ZINC000931035305 640027855 /nfs/dbraw/zinc/02/78/55/640027855.db2.gz JLFGFNCOIZYIBZ-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC3(COC3)O2)CCO1 ZINC000931035305 640027862 /nfs/dbraw/zinc/02/78/62/640027862.db2.gz JLFGFNCOIZYIBZ-QWRGUYRKSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@]1(NC(=O)c2nc[nH]n2)C[NH+]2CCC1CC2 ZINC000912375645 640045686 /nfs/dbraw/zinc/04/56/86/640045686.db2.gz IVJWMLAJEFAWMG-LLVKDONJSA-N 1 2 235.291 0.019 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nncs2)C[C@@H]1CO ZINC000931099219 640065643 /nfs/dbraw/zinc/06/56/43/640065643.db2.gz AMKKELWEWIDPHC-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nncs2)C[C@@H]1CO ZINC000931099219 640065648 /nfs/dbraw/zinc/06/56/48/640065648.db2.gz AMKKELWEWIDPHC-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140361 640075999 /nfs/dbraw/zinc/07/59/99/640075999.db2.gz ISSUBXPISAZUHA-IUCAKERBSA-N 1 2 210.281 0.570 20 0 BCADLO C[C@H](CO)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140361 640076005 /nfs/dbraw/zinc/07/60/05/640076005.db2.gz ISSUBXPISAZUHA-IUCAKERBSA-N 1 2 210.281 0.570 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140301 640076289 /nfs/dbraw/zinc/07/62/89/640076289.db2.gz KNLQITKKYWBIPJ-BDAKNGLRSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140301 640076298 /nfs/dbraw/zinc/07/62/98/640076298.db2.gz KNLQITKKYWBIPJ-BDAKNGLRSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000912517251 640106400 /nfs/dbraw/zinc/10/64/00/640106400.db2.gz VPTNEEBHKSKBGR-GHMZBOCLSA-N 1 2 249.314 0.865 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1n[nH]cc1F ZINC000912585726 640122356 /nfs/dbraw/zinc/12/23/56/640122356.db2.gz ZXNPQNIYRORCTP-SSDOTTSWSA-N 1 2 235.222 0.620 20 0 BCADLO CC[C@H](CO)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614617 640135194 /nfs/dbraw/zinc/13/51/94/640135194.db2.gz QIYQGMOKMQQVDX-SNVBAGLBSA-N 1 2 239.319 0.753 20 0 BCADLO CCC/C=C/C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912612365 640136177 /nfs/dbraw/zinc/13/61/77/640136177.db2.gz LTNUGEYUAXDKAN-BRAIEQGRSA-N 1 2 237.303 0.926 20 0 BCADLO CC/C(C)=C\C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912612812 640136816 /nfs/dbraw/zinc/13/68/16/640136816.db2.gz RRAALWPWSJMEMR-HYHWUIIZSA-N 1 2 237.303 0.926 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)/C=C/C1CC1 ZINC000912613399 640138956 /nfs/dbraw/zinc/13/89/56/640138956.db2.gz BDCKXLHYUSDQSD-YEZKRMTDSA-N 1 2 235.287 0.536 20 0 BCADLO CC(C)=C(C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912616294 640140260 /nfs/dbraw/zinc/14/02/60/640140260.db2.gz ZXCOYRDXVKUPSK-SNVBAGLBSA-N 1 2 237.303 0.926 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCn1ccnc1)C2 ZINC000931314989 640153576 /nfs/dbraw/zinc/15/35/76/640153576.db2.gz KYBMPEKWLNQQQE-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCn1ccnc1)C2 ZINC000931314989 640153584 /nfs/dbraw/zinc/15/35/84/640153584.db2.gz KYBMPEKWLNQQQE-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO C[C@H](O)C1(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000912694627 640169629 /nfs/dbraw/zinc/16/96/29/640169629.db2.gz YKZFQSNVVHRUPG-VIFPVBQESA-N 1 2 235.287 0.523 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931402393 640182987 /nfs/dbraw/zinc/18/29/87/640182987.db2.gz VNULYWWJHSYSFQ-RYUDHWBXSA-N 1 2 235.331 0.751 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931402393 640182992 /nfs/dbraw/zinc/18/29/92/640182992.db2.gz VNULYWWJHSYSFQ-RYUDHWBXSA-N 1 2 235.331 0.751 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(CCF)CC2)[C@@H](CO)C1 ZINC000912737140 640185367 /nfs/dbraw/zinc/18/53/67/640185367.db2.gz GTPPJWRRHPMYKO-SNVBAGLBSA-N 1 2 244.310 0.261 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(CCF)CC2)[C@@H](CO)C1 ZINC000912737140 640185373 /nfs/dbraw/zinc/18/53/73/640185373.db2.gz GTPPJWRRHPMYKO-SNVBAGLBSA-N 1 2 244.310 0.261 20 0 BCADLO C[C@H](c1ccncc1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931409045 640186044 /nfs/dbraw/zinc/18/60/44/640186044.db2.gz ICZWVZWYSNGWAS-YPMHNXCESA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](c1ccncc1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931409045 640186045 /nfs/dbraw/zinc/18/60/45/640186045.db2.gz ICZWVZWYSNGWAS-YPMHNXCESA-N 1 2 235.331 0.751 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456705 640214435 /nfs/dbraw/zinc/21/44/35/640214435.db2.gz WXSDOIJLLBRECA-DTWKUNHWSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456705 640214440 /nfs/dbraw/zinc/21/44/40/640214440.db2.gz WXSDOIJLLBRECA-DTWKUNHWSA-N 1 2 236.319 0.806 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C)Cc2c[nH]nc21 ZINC000931458690 640215415 /nfs/dbraw/zinc/21/54/15/640215415.db2.gz JWJQZSLWNOOVTG-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C)Cc2c[nH]nc21 ZINC000931458690 640215418 /nfs/dbraw/zinc/21/54/18/640215418.db2.gz JWJQZSLWNOOVTG-ZETCQYMHSA-N 1 2 233.279 0.053 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458289 640218154 /nfs/dbraw/zinc/21/81/54/640218154.db2.gz HKDZONVKCLLVAY-CBAPKCEASA-N 1 2 222.292 0.593 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458289 640218159 /nfs/dbraw/zinc/21/81/59/640218159.db2.gz HKDZONVKCLLVAY-CBAPKCEASA-N 1 2 222.292 0.593 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550888 640271049 /nfs/dbraw/zinc/27/10/49/640271049.db2.gz FMXGYYFKEWHHKO-HLTSFMKQSA-N 1 2 243.332 0.335 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550888 640271054 /nfs/dbraw/zinc/27/10/54/640271054.db2.gz FMXGYYFKEWHHKO-HLTSFMKQSA-N 1 2 243.332 0.335 20 0 BCADLO COC(=O)C1=CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912994459 640274787 /nfs/dbraw/zinc/27/47/87/640274787.db2.gz PKOLFROUPKZKTO-SECBINFHSA-N 1 2 249.270 0.330 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](CCF)C1 ZINC000913165020 640321774 /nfs/dbraw/zinc/32/17/74/640321774.db2.gz BGYXBCACYJMZNP-SNVBAGLBSA-N 1 2 241.266 0.539 20 0 BCADLO O=[S@](CC[N@H+]1CC=C[C@@H]1CO)C(F)(F)F ZINC000931702072 640324271 /nfs/dbraw/zinc/32/42/71/640324271.db2.gz AWIOXTUDYPGTIN-KWKYVRJSSA-N 1 2 243.250 0.488 20 0 BCADLO O=[S@](CC[N@@H+]1CC=C[C@@H]1CO)C(F)(F)F ZINC000931702072 640324275 /nfs/dbraw/zinc/32/42/75/640324275.db2.gz AWIOXTUDYPGTIN-KWKYVRJSSA-N 1 2 243.250 0.488 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CC=C[C@H]1CO ZINC000931701174 640325267 /nfs/dbraw/zinc/32/52/67/640325267.db2.gz XIMVCOVBHCVZPZ-JTQLQIEISA-N 1 2 207.277 0.461 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CC=C[C@H]1CO ZINC000931701174 640325273 /nfs/dbraw/zinc/32/52/73/640325273.db2.gz XIMVCOVBHCVZPZ-JTQLQIEISA-N 1 2 207.277 0.461 20 0 BCADLO C[N@H+](Cc1cnc(C2CC2)o1)[C@@H]1COC[C@H]1O ZINC000931747006 640347039 /nfs/dbraw/zinc/34/70/39/640347039.db2.gz NNVDAGVBHBRXJO-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO C[N@@H+](Cc1cnc(C2CC2)o1)[C@@H]1COC[C@H]1O ZINC000931747006 640347047 /nfs/dbraw/zinc/34/70/47/640347047.db2.gz NNVDAGVBHBRXJO-GHMZBOCLSA-N 1 2 238.287 0.744 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747307 640347465 /nfs/dbraw/zinc/34/74/65/640347465.db2.gz SIDPEQKSLMTNOE-IWSPIJDZSA-N 1 2 243.332 0.599 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931747307 640347470 /nfs/dbraw/zinc/34/74/70/640347470.db2.gz SIDPEQKSLMTNOE-IWSPIJDZSA-N 1 2 243.332 0.599 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1nncs1)C(N)=O ZINC000931761386 640354803 /nfs/dbraw/zinc/35/48/03/640354803.db2.gz NCLRRFQKEWWTAD-XPUUQOCRSA-N 1 2 228.321 0.528 20 0 BCADLO CCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441973 640371408 /nfs/dbraw/zinc/37/14/08/640371408.db2.gz WAJRVIANNUTOCO-JTQLQIEISA-N 1 2 222.292 0.683 20 0 BCADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@H]1O ZINC000913434254 640371643 /nfs/dbraw/zinc/37/16/43/640371643.db2.gz ZWFPYRDTRXJJKE-GHMZBOCLSA-N 1 2 237.303 0.714 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)n[nH]1 ZINC000931905012 640385815 /nfs/dbraw/zinc/38/58/15/640385815.db2.gz GBTKWMUOYVEMSU-VIFPVBQESA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC000931905012 640385824 /nfs/dbraw/zinc/38/58/24/640385824.db2.gz GBTKWMUOYVEMSU-VIFPVBQESA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC000931905012 640385831 /nfs/dbraw/zinc/38/58/31/640385831.db2.gz GBTKWMUOYVEMSU-VIFPVBQESA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC000931905012 640385835 /nfs/dbraw/zinc/38/58/35/640385835.db2.gz GBTKWMUOYVEMSU-VIFPVBQESA-N 1 2 237.307 0.924 20 0 BCADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)C1 ZINC000913533160 640387705 /nfs/dbraw/zinc/38/77/05/640387705.db2.gz LAABAXWNCXWZDQ-MXWKQRLJSA-N 1 2 236.315 0.661 20 0 BCADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)C1 ZINC000913533160 640387712 /nfs/dbraw/zinc/38/77/12/640387712.db2.gz LAABAXWNCXWZDQ-MXWKQRLJSA-N 1 2 236.315 0.661 20 0 BCADLO CSC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913544315 640393973 /nfs/dbraw/zinc/39/39/73/640393973.db2.gz BMJOGLCVGXMDMG-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO CSC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913544315 640393982 /nfs/dbraw/zinc/39/39/82/640393982.db2.gz BMJOGLCVGXMDMG-VIFPVBQESA-N 1 2 244.360 0.017 20 0 BCADLO CCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1 ZINC000913550685 640395584 /nfs/dbraw/zinc/39/55/84/640395584.db2.gz YRYCCMKEMOYXDM-NSHDSACASA-N 1 2 240.347 0.702 20 0 BCADLO CCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1 ZINC000913550685 640395586 /nfs/dbraw/zinc/39/55/86/640395586.db2.gz YRYCCMKEMOYXDM-NSHDSACASA-N 1 2 240.347 0.702 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000931940780 640400347 /nfs/dbraw/zinc/40/03/47/640400347.db2.gz ZQZXNJIIXSSOCN-POYBYMJQSA-N 1 2 224.264 0.041 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC000931940780 640400351 /nfs/dbraw/zinc/40/03/51/640400351.db2.gz ZQZXNJIIXSSOCN-POYBYMJQSA-N 1 2 224.264 0.041 20 0 BCADLO CCCNc1cc(N2CCCNC(=O)C2)nc[nH+]1 ZINC000156468344 640461282 /nfs/dbraw/zinc/46/12/82/640461282.db2.gz LVBGYWLRYLISMK-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CCCNc1cc(N2CCCNC(=O)C2)[nH+]cn1 ZINC000156468344 640461284 /nfs/dbraw/zinc/46/12/84/640461284.db2.gz LVBGYWLRYLISMK-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC000044834740 640466745 /nfs/dbraw/zinc/46/67/45/640466745.db2.gz VLJCBBSTLWTXKK-UHFFFAOYSA-N 1 2 235.287 0.098 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000932273568 640470507 /nfs/dbraw/zinc/47/05/07/640470507.db2.gz QTBDQCMYFJQHEM-GFCCVEGCSA-N 1 2 248.330 0.836 20 0 BCADLO Cn1nccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000932273568 640470509 /nfs/dbraw/zinc/47/05/09/640470509.db2.gz QTBDQCMYFJQHEM-GFCCVEGCSA-N 1 2 248.330 0.836 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@H](C)CC2)nn1 ZINC000932337490 640481979 /nfs/dbraw/zinc/48/19/79/640481979.db2.gz QWBAGEJXOQUBRJ-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@H](C)CC2)nn1 ZINC000932337490 640481986 /nfs/dbraw/zinc/48/19/86/640481986.db2.gz QWBAGEJXOQUBRJ-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932435676 640526219 /nfs/dbraw/zinc/52/62/19/640526219.db2.gz IZSWHBYTOGDUND-SNVBAGLBSA-N 1 2 226.320 0.955 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932435676 640526223 /nfs/dbraw/zinc/52/62/23/640526223.db2.gz IZSWHBYTOGDUND-SNVBAGLBSA-N 1 2 226.320 0.955 20 0 BCADLO CC(=O)NC1C[NH+](CCCc2nc(C)no2)C1 ZINC001030039056 640530695 /nfs/dbraw/zinc/53/06/95/640530695.db2.gz XTMYEBBLZSOLRG-UHFFFAOYSA-N 1 2 238.291 0.131 20 0 BCADLO O=C(NC1C[NH+](C[C@H]2CCCCO2)C1)C1CC1 ZINC001030040183 640533315 /nfs/dbraw/zinc/53/33/15/640533315.db2.gz PJXBIDPRLOEBGN-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO CC[NH+]1CC(NC(=O)C2CCOCC2)C1 ZINC001030046602 640540313 /nfs/dbraw/zinc/54/03/13/640540313.db2.gz CMEOUEVYQAGSQS-UHFFFAOYSA-N 1 2 212.293 0.233 20 0 BCADLO CCC1(CC(=O)NCCc2[nH]cc[nH+]2)COC1 ZINC000932476281 640543307 /nfs/dbraw/zinc/54/33/07/640543307.db2.gz YEMRMELOFTVUJW-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COCCc1noc(C[NH2+][C@@H]2COC[C@H]2C)n1 ZINC000932502772 640559382 /nfs/dbraw/zinc/55/93/82/640559382.db2.gz WYJCGIHSIGBFDA-RKDXNWHRSA-N 1 2 241.291 0.383 20 0 BCADLO Cn1ncc(C[N@@H+]2CCn3cccc3C2)n1 ZINC000932524695 640562816 /nfs/dbraw/zinc/56/28/16/640562816.db2.gz OGFHNAUUOCDNMT-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1ncc(C[N@H+]2CCn3cccc3C2)n1 ZINC000932524695 640562819 /nfs/dbraw/zinc/56/28/19/640562819.db2.gz OGFHNAUUOCDNMT-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001030064821 640566419 /nfs/dbraw/zinc/56/64/19/640566419.db2.gz MOCLDGUYAMHHDC-SNVBAGLBSA-N 1 2 240.347 0.748 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCn2cccc2C1 ZINC000932529621 640569330 /nfs/dbraw/zinc/56/93/30/640569330.db2.gz UIONIUPIAVVPLQ-UHFFFAOYSA-N 1 2 233.315 0.926 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCn2cccc2C1 ZINC000932529621 640569333 /nfs/dbraw/zinc/56/93/33/640569333.db2.gz UIONIUPIAVVPLQ-UHFFFAOYSA-N 1 2 233.315 0.926 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cnc(C)cn2)C1 ZINC001030070969 640575159 /nfs/dbraw/zinc/57/51/59/640575159.db2.gz GZQVJXDHIZLKTD-UHFFFAOYSA-N 1 2 234.303 0.609 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C)C1 ZINC001030073704 640577798 /nfs/dbraw/zinc/57/77/98/640577798.db2.gz LAIPPONQDKNPLW-SCZZXKLOSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030089130 640583973 /nfs/dbraw/zinc/58/39/73/640583973.db2.gz KNLGQMBOLSTDLD-QWRGUYRKSA-N 1 2 238.331 0.524 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC=CCC1 ZINC001030090041 640584233 /nfs/dbraw/zinc/58/42/33/640584233.db2.gz PTWIJPCAVFILLA-NSHDSACASA-N 1 2 238.331 0.526 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030089131 640585266 /nfs/dbraw/zinc/58/52/66/640585266.db2.gz KNLGQMBOLSTDLD-WDEREUQCSA-N 1 2 238.331 0.524 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000932640171 640593109 /nfs/dbraw/zinc/59/31/09/640593109.db2.gz VQYHGBZXHIUUTJ-MRVPVSSYSA-N 1 2 225.248 0.455 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000932640171 640593117 /nfs/dbraw/zinc/59/31/17/640593117.db2.gz VQYHGBZXHIUUTJ-MRVPVSSYSA-N 1 2 225.248 0.455 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000932639098 640593609 /nfs/dbraw/zinc/59/36/09/640593609.db2.gz LNECZQLCZKKNEW-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000932639098 640593614 /nfs/dbraw/zinc/59/36/14/640593614.db2.gz LNECZQLCZKKNEW-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000932643417 640595841 /nfs/dbraw/zinc/59/58/41/640595841.db2.gz XNNDIHIHXWEIPR-SNVBAGLBSA-N 1 2 235.287 0.862 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000932643417 640595848 /nfs/dbraw/zinc/59/58/48/640595848.db2.gz XNNDIHIHXWEIPR-SNVBAGLBSA-N 1 2 235.287 0.862 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932645801 640595869 /nfs/dbraw/zinc/59/58/69/640595869.db2.gz DSRMZOPNVVZZOD-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932645801 640595873 /nfs/dbraw/zinc/59/58/73/640595873.db2.gz DSRMZOPNVVZZOD-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)Cn2cccn2)C1 ZINC001030107654 640597836 /nfs/dbraw/zinc/59/78/36/640597836.db2.gz ROXODKROYXIQNF-UHFFFAOYSA-N 1 2 248.330 0.650 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(C)nc2)C1 ZINC001030110947 640599785 /nfs/dbraw/zinc/59/97/85/640599785.db2.gz FOXMIIHVBIVLSI-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000932647183 640600933 /nfs/dbraw/zinc/60/09/33/640600933.db2.gz WFDHCNIVTUPGCL-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000932647183 640600940 /nfs/dbraw/zinc/60/09/40/640600940.db2.gz WFDHCNIVTUPGCL-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)n1 ZINC001030114376 640603403 /nfs/dbraw/zinc/60/34/03/640603403.db2.gz CJDXBIIPOLMAKD-JTQLQIEISA-N 1 2 249.314 0.185 20 0 BCADLO CC(C)(C)OC(=O)N1CC[N@H+](CCO)[C@@H]2C[C@@H]21 ZINC000932736065 640604821 /nfs/dbraw/zinc/60/48/21/640604821.db2.gz XGAQJWCMVWOCCR-ZJUUUORDSA-N 1 2 242.319 0.672 20 0 BCADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCO)[C@@H]2C[C@@H]21 ZINC000932736065 640604826 /nfs/dbraw/zinc/60/48/26/640604826.db2.gz XGAQJWCMVWOCCR-ZJUUUORDSA-N 1 2 242.319 0.672 20 0 BCADLO CC(C)C1(C(=O)N2CC(n3cc[nH+]c3)C2)COC1 ZINC000932825517 640613878 /nfs/dbraw/zinc/61/38/78/640613878.db2.gz DGUUTIYEKIYVSQ-UHFFFAOYSA-N 1 2 249.314 0.939 20 0 BCADLO CCC[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932825954 640614015 /nfs/dbraw/zinc/61/40/15/640614015.db2.gz GXLLMRLBKHVPPQ-JTQLQIEISA-N 1 2 223.276 0.427 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)nn2C)C1 ZINC001030138454 640625229 /nfs/dbraw/zinc/62/52/29/640625229.db2.gz MRCZXZFNBQPHTP-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CCCOC1 ZINC001030148038 640634581 /nfs/dbraw/zinc/63/45/81/640634581.db2.gz NEZOGDOJIKXBGK-SNVBAGLBSA-N 1 2 244.310 0.573 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030154839 640639502 /nfs/dbraw/zinc/63/95/02/640639502.db2.gz LZTQLYJAZLAWCW-UHFFFAOYSA-N 1 2 209.249 0.499 20 0 BCADLO Cc1cc(C[N@@H+]2C3CCC2(C(N)=O)CC3)on1 ZINC000932931691 640644369 /nfs/dbraw/zinc/64/43/69/640644369.db2.gz ODHKUTDJMKHBOC-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO Cc1cc(C[N@H+]2C3CCC2(C(N)=O)CC3)on1 ZINC000932931691 640644374 /nfs/dbraw/zinc/64/43/74/640644374.db2.gz ODHKUTDJMKHBOC-UHFFFAOYSA-N 1 2 235.287 0.965 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCOC2)C1 ZINC001030158528 640645027 /nfs/dbraw/zinc/64/50/27/640645027.db2.gz HOJYWVZESQQNLS-VIFPVBQESA-N 1 2 212.293 0.233 20 0 BCADLO CC[NH+]1CC(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001030166731 640650363 /nfs/dbraw/zinc/65/03/63/640650363.db2.gz IUUMTICXMALCIE-UHFFFAOYSA-N 1 2 222.292 0.460 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030172815 640656397 /nfs/dbraw/zinc/65/63/97/640656397.db2.gz NXLJXXMSKLTLRV-UHFFFAOYSA-N 1 2 224.304 0.399 20 0 BCADLO Cc1ccncc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030179427 640663379 /nfs/dbraw/zinc/66/33/79/640663379.db2.gz RRPHQINTUJAOFS-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030189983 640669273 /nfs/dbraw/zinc/66/92/73/640669273.db2.gz FQZBQIGQESKUME-NXEZZACHSA-N 1 2 240.347 0.868 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933162625 640673296 /nfs/dbraw/zinc/67/32/96/640673296.db2.gz XGOWPQMKBJTZGK-SKDRFNHKSA-N 1 2 241.287 0.577 20 0 BCADLO COC(=O)CC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933162625 640673300 /nfs/dbraw/zinc/67/33/00/640673300.db2.gz XGOWPQMKBJTZGK-SKDRFNHKSA-N 1 2 241.287 0.577 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030196039 640673608 /nfs/dbraw/zinc/67/36/08/640673608.db2.gz ZKDMVRKIJQMVKD-UWVGGRQHSA-N 1 2 240.347 0.868 20 0 BCADLO CC[N@H+](CC(OC)OC)C(C)(C)C(=O)OC ZINC000933193610 640676172 /nfs/dbraw/zinc/67/61/72/640676172.db2.gz PPAUWTMURBOIPN-UHFFFAOYSA-N 1 2 233.308 0.879 20 0 BCADLO CC[N@@H+](CC(OC)OC)C(C)(C)C(=O)OC ZINC000933193610 640676176 /nfs/dbraw/zinc/67/61/76/640676176.db2.gz PPAUWTMURBOIPN-UHFFFAOYSA-N 1 2 233.308 0.879 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933217162 640682594 /nfs/dbraw/zinc/68/25/94/640682594.db2.gz UULQPQKXCHVHHM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933217162 640682599 /nfs/dbraw/zinc/68/25/99/640682599.db2.gz UULQPQKXCHVHHM-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CCCCO1 ZINC001030217657 640688624 /nfs/dbraw/zinc/68/86/24/640688624.db2.gz GVKRBBXZEJPPJS-NSHDSACASA-N 1 2 244.310 0.716 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H]1CCOC1=O)C2 ZINC000933262960 640691192 /nfs/dbraw/zinc/69/11/92/640691192.db2.gz VXNJUQMHVFBQPX-LLVKDONJSA-N 1 2 235.287 0.577 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnnc(C)c2)C1 ZINC001030250135 640707764 /nfs/dbraw/zinc/70/77/64/640707764.db2.gz VULQJMDEASDQBP-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2nccc(C)n2)C1 ZINC001030255607 640711122 /nfs/dbraw/zinc/71/11/22/640711122.db2.gz HZWDQRJJAFLAEB-UHFFFAOYSA-N 1 2 234.303 0.609 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395427 640713382 /nfs/dbraw/zinc/71/33/82/640713382.db2.gz KGNJGQDODGOPKC-UHFFFAOYSA-N 1 2 237.303 0.697 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395427 640713387 /nfs/dbraw/zinc/71/33/87/640713387.db2.gz KGNJGQDODGOPKC-UHFFFAOYSA-N 1 2 237.303 0.697 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401846 640715753 /nfs/dbraw/zinc/71/57/53/640715753.db2.gz QJABMMSZZWPHJV-LLVKDONJSA-N 1 2 249.314 0.840 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401846 640715756 /nfs/dbraw/zinc/71/57/56/640715756.db2.gz QJABMMSZZWPHJV-LLVKDONJSA-N 1 2 249.314 0.840 20 0 BCADLO CC1(C)CC(C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030273260 640722453 /nfs/dbraw/zinc/72/24/53/640722453.db2.gz UFXHEMIVGDTOFM-UHFFFAOYSA-N 1 2 226.320 0.215 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933669266 640741283 /nfs/dbraw/zinc/74/12/83/640741283.db2.gz DDRYNOQNOKVUIW-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933669266 640741288 /nfs/dbraw/zinc/74/12/88/640741288.db2.gz DDRYNOQNOKVUIW-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001030314834 640749115 /nfs/dbraw/zinc/74/91/15/640749115.db2.gz ZVBHJKCHYRIFPF-JTQLQIEISA-N 1 2 248.330 0.650 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@H]2C2OCCO2)n1 ZINC000933893437 640782772 /nfs/dbraw/zinc/78/27/72/640782772.db2.gz BHNVEZVEZQVXCP-NSHDSACASA-N 1 2 237.303 0.757 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@H]2C2OCCO2)n1 ZINC000933893437 640782778 /nfs/dbraw/zinc/78/27/78/640782778.db2.gz BHNVEZVEZQVXCP-NSHDSACASA-N 1 2 237.303 0.757 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968244 640797574 /nfs/dbraw/zinc/79/75/74/640797574.db2.gz JEBXWDDOAXJUSZ-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968244 640797580 /nfs/dbraw/zinc/79/75/80/640797580.db2.gz JEBXWDDOAXJUSZ-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933971762 640800026 /nfs/dbraw/zinc/80/00/26/640800026.db2.gz VYYYGRLUSWGJRU-NWDGAFQWSA-N 1 2 237.303 0.410 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933971762 640800042 /nfs/dbraw/zinc/80/00/42/640800042.db2.gz VYYYGRLUSWGJRU-NWDGAFQWSA-N 1 2 237.303 0.410 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000933993934 640802414 /nfs/dbraw/zinc/80/24/14/640802414.db2.gz SELLLUIVNNRTGW-TWXYISROSA-N 1 2 247.298 0.758 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H](CCO)C1CCCC1 ZINC000934011494 640809472 /nfs/dbraw/zinc/80/94/72/640809472.db2.gz MONLTZPRRVPUTQ-QWRGUYRKSA-N 1 2 227.304 0.833 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC(F)(F)C1 ZINC001030412209 640837541 /nfs/dbraw/zinc/83/75/41/640837541.db2.gz VWGUSZYOXPPTPW-MRVPVSSYSA-N 1 2 248.273 0.215 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001030506204 640889046 /nfs/dbraw/zinc/88/90/46/640889046.db2.gz FCXOLGURONXJLT-ZJUUUORDSA-N 1 2 240.347 0.604 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC001030534135 640900980 /nfs/dbraw/zinc/90/09/80/640900980.db2.gz OPEBWKKQAQFWFS-UHFFFAOYSA-N 1 2 241.241 0.794 20 0 BCADLO COCC[NH+]1CC(NC(=O)Cc2ccccc2)C1 ZINC001030537817 640903603 /nfs/dbraw/zinc/90/36/03/640903603.db2.gz MFARRCQBRYOYIF-UHFFFAOYSA-N 1 2 248.326 0.676 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1cscn1 ZINC000229130170 640925931 /nfs/dbraw/zinc/92/59/31/640925931.db2.gz QXDAKUJWNDJUIO-RNFRBKRXSA-N 1 2 239.300 0.599 20 0 BCADLO CCc1n[nH]cc1C(=O)NC1C[NH+](CC)C1 ZINC001030596275 640942917 /nfs/dbraw/zinc/94/29/17/640942917.db2.gz QMBHJHSSWCHRQU-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO CC[NH+]1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001030598517 640944987 /nfs/dbraw/zinc/94/49/87/640944987.db2.gz VODSMMRDXROXJB-UHFFFAOYSA-N 1 2 234.303 0.332 20 0 BCADLO CCCNc1cc(N[C@@H](CO)COC)nc[nH+]1 ZINC000229389234 640952406 /nfs/dbraw/zinc/95/24/06/640952406.db2.gz NGYNWXGFBLQFOO-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CCCNc1cc(N[C@@H](CO)COC)[nH+]cn1 ZINC000229389234 640952410 /nfs/dbraw/zinc/95/24/10/640952410.db2.gz NGYNWXGFBLQFOO-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001030614799 640963988 /nfs/dbraw/zinc/96/39/88/640963988.db2.gz RJGMGQXKGOCIJY-UHFFFAOYSA-N 1 2 245.286 0.343 20 0 BCADLO CNc1cc(N2C[C@@H](C)O[C@@H](CO)C2)nc[nH+]1 ZINC000230073543 641012722 /nfs/dbraw/zinc/01/27/22/641012722.db2.gz QFUBPOYYFRUFSV-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@@H](C)O[C@@H](CO)C2)[nH+]cn1 ZINC000230073543 641012725 /nfs/dbraw/zinc/01/27/25/641012725.db2.gz QFUBPOYYFRUFSV-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@H](C)C2)nc[nH+]1 ZINC000087806064 641050184 /nfs/dbraw/zinc/05/01/84/641050184.db2.gz LDZDGJLJFFOVKU-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CCO[C@H](C)C2)[nH+]cn1 ZINC000087806064 641050188 /nfs/dbraw/zinc/05/01/88/641050188.db2.gz LDZDGJLJFFOVKU-MRVPVSSYSA-N 1 2 208.265 0.743 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934108481 641070473 /nfs/dbraw/zinc/07/04/73/641070473.db2.gz QFEGKFQKSRGQMP-GHMZBOCLSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934108481 641070474 /nfs/dbraw/zinc/07/04/74/641070474.db2.gz QFEGKFQKSRGQMP-GHMZBOCLSA-N 1 2 224.308 0.907 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cnn(C)n1 ZINC000934111763 641074364 /nfs/dbraw/zinc/07/43/64/641074364.db2.gz OPLBOQABPPQAGB-ZJUUUORDSA-N 1 2 210.281 0.424 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cnn(C)n1 ZINC000934111763 641074368 /nfs/dbraw/zinc/07/43/68/641074368.db2.gz OPLBOQABPPQAGB-ZJUUUORDSA-N 1 2 210.281 0.424 20 0 BCADLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)on1 ZINC000172782781 641109881 /nfs/dbraw/zinc/10/98/81/641109881.db2.gz VCHVBLVLVPJGME-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)on1 ZINC000172782781 641109884 /nfs/dbraw/zinc/10/98/84/641109884.db2.gz VCHVBLVLVPJGME-UHFFFAOYSA-N 1 2 224.260 0.932 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC12CCOCC2 ZINC000934405096 641141018 /nfs/dbraw/zinc/14/10/18/641141018.db2.gz GYUPUOVLBFTFGS-ZJUUUORDSA-N 1 2 243.303 0.476 20 0 BCADLO CNC(=O)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000063419067 641174236 /nfs/dbraw/zinc/17/42/36/641174236.db2.gz RMSUZZBHDAJSAT-UHFFFAOYSA-N 1 2 247.302 0.967 20 0 BCADLO CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001021747797 641187241 /nfs/dbraw/zinc/18/72/41/641187241.db2.gz CFNXMDKSJKSKBQ-JMOVZRAMSA-N 1 2 238.291 0.696 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000231697711 641190953 /nfs/dbraw/zinc/19/09/53/641190953.db2.gz SKEYEMKHVUDHSL-SNVBAGLBSA-N 1 2 237.365 0.514 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000231697711 641190959 /nfs/dbraw/zinc/19/09/59/641190959.db2.gz SKEYEMKHVUDHSL-SNVBAGLBSA-N 1 2 237.365 0.514 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934571251 641199289 /nfs/dbraw/zinc/19/92/89/641199289.db2.gz QMVNUWXFHXBIRD-BDAKNGLRSA-N 1 2 219.256 0.344 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934571251 641199295 /nfs/dbraw/zinc/19/92/95/641199295.db2.gz QMVNUWXFHXBIRD-BDAKNGLRSA-N 1 2 219.256 0.344 20 0 BCADLO O[C@@H]1CC[N@H+](CCc2cnccn2)C[C@H]1F ZINC000934568478 641202123 /nfs/dbraw/zinc/20/21/23/641202123.db2.gz UZSIPHFXOFBAEF-GHMZBOCLSA-N 1 2 225.267 0.424 20 0 BCADLO O[C@@H]1CC[N@@H+](CCc2cnccn2)C[C@H]1F ZINC000934568478 641202131 /nfs/dbraw/zinc/20/21/31/641202131.db2.gz UZSIPHFXOFBAEF-GHMZBOCLSA-N 1 2 225.267 0.424 20 0 BCADLO C/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000088046547 641266206 /nfs/dbraw/zinc/26/62/06/641266206.db2.gz JJKUDJABBGHJFB-FSIBCCDJSA-N 1 2 212.293 0.399 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001030701542 641287563 /nfs/dbraw/zinc/28/75/63/641287563.db2.gz VASWUXYROKLAEE-SCZZXKLOSA-N 1 2 212.293 0.232 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000934912317 641301364 /nfs/dbraw/zinc/30/13/64/641301364.db2.gz KRMGEEFCIUFUHJ-GHMZBOCLSA-N 1 2 237.303 0.767 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000934946818 641308244 /nfs/dbraw/zinc/30/82/44/641308244.db2.gz XQGCHCJZUMONEP-DTORHVGOSA-N 1 2 231.255 0.816 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030708935 641314015 /nfs/dbraw/zinc/31/40/15/641314015.db2.gz UMYQAXWBJKXHLR-BXKDBHETSA-N 1 2 208.305 0.997 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](O)[C@H](C)O)C(C)C ZINC000929464256 641326999 /nfs/dbraw/zinc/32/69/99/641326999.db2.gz MFXQZLMEONIOCC-VHSXEESVSA-N 1 2 233.308 0.002 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](O)[C@H](C)O)C(C)C ZINC000929464256 641327004 /nfs/dbraw/zinc/32/70/04/641327004.db2.gz MFXQZLMEONIOCC-VHSXEESVSA-N 1 2 233.308 0.002 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2cnco2)C1 ZINC001030759670 641336601 /nfs/dbraw/zinc/33/66/01/641336601.db2.gz VNNNWOJMKAKDCK-UHFFFAOYSA-N 1 2 223.276 0.889 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030803801 641361153 /nfs/dbraw/zinc/36/11/53/641361153.db2.gz XNYPMQRAICDWMS-GXFFZTMASA-N 1 2 238.331 0.524 20 0 BCADLO CC[NH+]1CC(NC(=O)C2(c3cccnc3)CC2)C1 ZINC001030828164 641372800 /nfs/dbraw/zinc/37/28/00/641372800.db2.gz YJPNXBNXPOPEOV-UHFFFAOYSA-N 1 2 245.326 0.934 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)Cc2c[nH]nc21 ZINC000913598313 641376889 /nfs/dbraw/zinc/37/68/89/641376889.db2.gz BRAUXPVUSUIWKP-QMMMGPOBSA-N 1 2 245.286 0.821 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001030850901 641382515 /nfs/dbraw/zinc/38/25/15/641382515.db2.gz LBQRPIHRZAGVFT-UWVGGRQHSA-N 1 2 244.310 0.571 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C(/C)COC ZINC000929683251 641395645 /nfs/dbraw/zinc/39/56/45/641395645.db2.gz NXGMOVJBLIOQOR-VQNWOSHQSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C(/C)COC ZINC000929683251 641395650 /nfs/dbraw/zinc/39/56/50/641395650.db2.gz NXGMOVJBLIOQOR-VQNWOSHQSA-N 1 2 226.320 0.790 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2(C)CC=CC2)C1 ZINC001030895507 641406350 /nfs/dbraw/zinc/40/63/50/641406350.db2.gz IKQNRPJRRVNPDA-UHFFFAOYSA-N 1 2 238.331 0.790 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001030898626 641409330 /nfs/dbraw/zinc/40/93/30/641409330.db2.gz VXLOZOOMPAKIIP-NXEZZACHSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(C)CC=CC2)C1 ZINC001030900587 641410247 /nfs/dbraw/zinc/41/02/47/641410247.db2.gz DNVFXNVQDPFVBT-JTQLQIEISA-N 1 2 238.331 0.524 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001030898628 641410952 /nfs/dbraw/zinc/41/09/52/641410952.db2.gz VXLOZOOMPAKIIP-VHSXEESVSA-N 1 2 226.320 0.479 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1CCC(F)CC1 ZINC001030905992 641414666 /nfs/dbraw/zinc/41/46/66/641414666.db2.gz YCGAIPRZEKCJPB-UHFFFAOYSA-N 1 2 244.310 0.307 20 0 BCADLO CC[C@@H]1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030912391 641417442 /nfs/dbraw/zinc/41/74/42/641417442.db2.gz ZVCYTKZMWGKMRT-ZYHUDNBSSA-N 1 2 240.347 0.605 20 0 BCADLO CC1(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)COC1 ZINC000935488248 641418256 /nfs/dbraw/zinc/41/82/56/641418256.db2.gz MJMMDQRHRQZMAQ-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030921127 641423985 /nfs/dbraw/zinc/42/39/85/641423985.db2.gz AWFIQROSGACKJC-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935924291 641499808 /nfs/dbraw/zinc/49/98/08/641499808.db2.gz LCDVLVUTHCSJIG-SKDRFNHKSA-N 1 2 237.303 0.475 20 0 BCADLO CC[C@](C)(O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935924289 641503266 /nfs/dbraw/zinc/50/32/66/641503266.db2.gz LCDVLVUTHCSJIG-CABZTGNLSA-N 1 2 237.303 0.475 20 0 BCADLO O=S(=O)(CC1(F)CC1)NCCn1cc[nH+]c1 ZINC000913855004 641505423 /nfs/dbraw/zinc/50/54/23/641505423.db2.gz YWJZECBCJZGUSF-UHFFFAOYSA-N 1 2 247.295 0.305 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC(F)(F)F ZINC000936025030 641519395 /nfs/dbraw/zinc/51/93/95/641519395.db2.gz WREAFXVBDVBXML-UHFFFAOYSA-N 1 2 237.181 0.573 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)O[C@H]1CCOC1 ZINC000913926931 641524058 /nfs/dbraw/zinc/52/40/58/641524058.db2.gz QDVPXNQDTAUVDH-ZJUUUORDSA-N 1 2 239.275 0.787 20 0 BCADLO Cn1cnc(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000313053942 641528998 /nfs/dbraw/zinc/52/89/98/641528998.db2.gz SKBKXBJGIZWKSB-MRVPVSSYSA-N 1 2 210.281 0.330 20 0 BCADLO O=C1NCCCC[C@H]1[NH2+]Cc1cscn1 ZINC000040504362 641532594 /nfs/dbraw/zinc/53/25/94/641532594.db2.gz TXLQQOHHJXQWSU-SECBINFHSA-N 1 2 225.317 0.901 20 0 BCADLO Cc1nnn(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000914025836 641549224 /nfs/dbraw/zinc/54/92/24/641549224.db2.gz GQEPGSPFJPETMT-MRVPVSSYSA-N 1 2 248.290 0.813 20 0 BCADLO Cc1nnn(NC(=O)CNc2cccc[nH+]2)c1C ZINC000914026067 641549694 /nfs/dbraw/zinc/54/96/94/641549694.db2.gz OJGCMXHRDMSAQM-UHFFFAOYSA-N 1 2 246.274 0.472 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC12CC2 ZINC001031005972 641582674 /nfs/dbraw/zinc/58/26/74/641582674.db2.gz JFRIMMIQOSIFAL-SNVBAGLBSA-N 1 2 226.295 0.947 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031007024 641583467 /nfs/dbraw/zinc/58/34/67/641583467.db2.gz AXQRCHBVWQITPY-KOLCDFICSA-N 1 2 238.331 0.622 20 0 BCADLO CCCNc1cc(NC[C@](C)(O)CO)nc[nH+]1 ZINC000156734159 641610342 /nfs/dbraw/zinc/61/03/42/641610342.db2.gz ONOOGSXQTOKCIE-NSHDSACASA-N 1 2 240.307 0.454 20 0 BCADLO CCCNc1cc(NC[C@](C)(O)CO)[nH+]cn1 ZINC000156734159 641610357 /nfs/dbraw/zinc/61/03/57/641610357.db2.gz ONOOGSXQTOKCIE-NSHDSACASA-N 1 2 240.307 0.454 20 0 BCADLO C[N@H+](CCc1ccccn1)[C@H]1CCOC1=O ZINC000157025189 641612407 /nfs/dbraw/zinc/61/24/07/641612407.db2.gz CEHIOLDNRHBQSO-NSHDSACASA-N 1 2 220.272 0.871 20 0 BCADLO C[N@@H+](CCc1ccccn1)[C@H]1CCOC1=O ZINC000157025189 641612410 /nfs/dbraw/zinc/61/24/10/641612410.db2.gz CEHIOLDNRHBQSO-NSHDSACASA-N 1 2 220.272 0.871 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1=COCCC1 ZINC000174762217 641677959 /nfs/dbraw/zinc/67/79/59/641677959.db2.gz GZYJHSFAMNBTJL-UHFFFAOYSA-N 1 2 221.260 0.763 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001031080882 641685772 /nfs/dbraw/zinc/68/57/72/641685772.db2.gz TVCAFLMDVQVETB-JFUSQASVSA-N 1 2 238.331 0.214 20 0 BCADLO CCCC[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC001031122854 641719549 /nfs/dbraw/zinc/71/95/49/641719549.db2.gz WBLLZVLZFQYSHS-UHFFFAOYSA-N 1 2 223.280 0.019 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1cccnn1 ZINC001031134976 641729189 /nfs/dbraw/zinc/72/91/89/641729189.db2.gz WGHANPMEKXJFNO-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(C(F)F)c2)C1 ZINC001031149709 641739060 /nfs/dbraw/zinc/73/90/60/641739060.db2.gz PWUZPEIAVQMBKR-UHFFFAOYSA-N 1 2 244.245 0.712 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001031150280 641739316 /nfs/dbraw/zinc/73/93/16/641739316.db2.gz JPSKWOSUFSTPCT-PSASIEDQSA-N 1 2 212.293 0.232 20 0 BCADLO CC(=O)OC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000153241891 641739431 /nfs/dbraw/zinc/73/94/31/641739431.db2.gz DYTUHKDHQBJQKD-SNVBAGLBSA-N 1 2 227.260 0.329 20 0 BCADLO CCCn1cc(C(=O)NC2C[NH+](CC)C2)nn1 ZINC001031161120 641752827 /nfs/dbraw/zinc/75/28/27/641752827.db2.gz GPJHRTCMHBBGPC-UHFFFAOYSA-N 1 2 237.307 0.122 20 0 BCADLO C[C@@H](c1nc(-c2cc(=O)[nH]cn2)no1)[NH+](C)C ZINC000351363548 641772060 /nfs/dbraw/zinc/77/20/60/641772060.db2.gz CDSHAEJXSZFHFZ-LURJTMIESA-N 1 2 235.247 0.855 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031174959 641772711 /nfs/dbraw/zinc/77/27/11/641772711.db2.gz JNDVIRPXYRBRAD-CMPLNLGQSA-N 1 2 226.320 0.215 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031177066 641774876 /nfs/dbraw/zinc/77/48/76/641774876.db2.gz ZHGBWTWYQVSXOY-DGCLKSJQSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031177068 641774934 /nfs/dbraw/zinc/77/49/34/641774934.db2.gz ZHGBWTWYQVSXOY-YPMHNXCESA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031177065 641775252 /nfs/dbraw/zinc/77/52/52/641775252.db2.gz ZHGBWTWYQVSXOY-AAEUAGOBSA-N 1 2 240.347 0.869 20 0 BCADLO COC(C[N@H+](C)Cc1cnccn1)OC ZINC000189071032 641783480 /nfs/dbraw/zinc/78/34/80/641783480.db2.gz IVKKCUWFHIEEDQ-UHFFFAOYSA-N 1 2 211.265 0.527 20 0 BCADLO COC(C[N@@H+](C)Cc1cnccn1)OC ZINC000189071032 641783484 /nfs/dbraw/zinc/78/34/84/641783484.db2.gz IVKKCUWFHIEEDQ-UHFFFAOYSA-N 1 2 211.265 0.527 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@@H]2C)C1 ZINC000189149602 641792567 /nfs/dbraw/zinc/79/25/67/641792567.db2.gz XKBNDNUKRSJJRD-VHSXEESVSA-N 1 2 244.360 0.629 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@@H]2C)C1 ZINC000189149602 641792570 /nfs/dbraw/zinc/79/25/70/641792570.db2.gz XKBNDNUKRSJJRD-VHSXEESVSA-N 1 2 244.360 0.629 20 0 BCADLO CCN(C(=O)c1ccoc1)C1C[NH+](CCO)C1 ZINC000949675533 641852185 /nfs/dbraw/zinc/85/21/85/641852185.db2.gz AXJIFBFIMCMGIX-UHFFFAOYSA-N 1 2 238.287 0.418 20 0 BCADLO CCN(C(=O)c1cocn1)C1C[NH+](CC)C1 ZINC000949789331 641861621 /nfs/dbraw/zinc/86/16/21/641861621.db2.gz FPRFILHDWNTYJR-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(N)=O ZINC000077629392 641868772 /nfs/dbraw/zinc/86/87/72/641868772.db2.gz YJLJEVHAUYXPRP-QMMMGPOBSA-N 1 2 210.281 0.966 20 0 BCADLO CCc1cc(C(=O)NC2C[NH+](CC)C2)no1 ZINC001031276932 641871075 /nfs/dbraw/zinc/87/10/75/641871075.db2.gz VYZSBXJSKYHCSA-UHFFFAOYSA-N 1 2 223.276 0.671 20 0 BCADLO CCN(C(=O)c1cn(C)cn1)C1C[NH+](CC)C1 ZINC000949893917 641871990 /nfs/dbraw/zinc/87/19/90/641871990.db2.gz CCPMOXGKEORZOO-UHFFFAOYSA-N 1 2 236.319 0.586 20 0 BCADLO CCN(C(=O)c1nccc(C)n1)C1C[NH+](CC)C1 ZINC000949990936 641880560 /nfs/dbraw/zinc/88/05/60/641880560.db2.gz FQIIPXBIRNBBJV-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190977848 641896806 /nfs/dbraw/zinc/89/68/06/641896806.db2.gz YMIYHBIRGVJUCC-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190977848 641896812 /nfs/dbraw/zinc/89/68/12/641896812.db2.gz YMIYHBIRGVJUCC-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO COC(C[NH2+][C@H](C)c1nnnn1C1CC1)OC ZINC000191469728 641922766 /nfs/dbraw/zinc/92/27/66/641922766.db2.gz WAQJSJOKIUFRAE-SSDOTTSWSA-N 1 2 241.295 0.278 20 0 BCADLO CCc1nc[nH]c1C(=O)NC1C[NH+](CC)C1 ZINC001031326862 641966886 /nfs/dbraw/zinc/96/68/86/641966886.db2.gz FRERNWZOCGZVSJ-UHFFFAOYSA-N 1 2 222.292 0.406 20 0 BCADLO CCc1noc(C)c1C(=O)NC1C[NH+](CC)C1 ZINC001031381503 642038019 /nfs/dbraw/zinc/03/80/19/642038019.db2.gz MPMUCUJGRHYLIO-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925437378 642042598 /nfs/dbraw/zinc/04/25/98/642042598.db2.gz CBLVSPSIFJIOFF-VHSXEESVSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925437378 642042600 /nfs/dbraw/zinc/04/26/00/642042600.db2.gz CBLVSPSIFJIOFF-VHSXEESVSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925437372 642042636 /nfs/dbraw/zinc/04/26/36/642042636.db2.gz CBLVSPSIFJIOFF-NXEZZACHSA-N 1 2 239.319 0.454 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925437372 642042640 /nfs/dbraw/zinc/04/26/40/642042640.db2.gz CBLVSPSIFJIOFF-NXEZZACHSA-N 1 2 239.319 0.454 20 0 BCADLO COCC[NH+]1CC(NC(=O)c2c[nH]cc2C)C1 ZINC001031382712 642043676 /nfs/dbraw/zinc/04/36/76/642043676.db2.gz FQMNRKXNCQVRCF-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccn[nH]1 ZINC000335447049 711516672 /nfs/dbraw/zinc/51/66/72/711516672.db2.gz DTFNZIHYMWQMOV-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccn[nH]1 ZINC000335447049 711516673 /nfs/dbraw/zinc/51/66/73/711516673.db2.gz DTFNZIHYMWQMOV-SECBINFHSA-N 1 2 222.292 0.115 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001031495363 642227064 /nfs/dbraw/zinc/22/70/64/642227064.db2.gz LUWWHFMXRQYYEH-NSHDSACASA-N 1 2 238.331 0.623 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031505614 642240441 /nfs/dbraw/zinc/24/04/41/642240441.db2.gz XFHGMHQRRNPOFZ-UHFFFAOYSA-N 1 2 225.317 0.711 20 0 BCADLO Cc1ncc(C[NH+]2CC(CNC(=O)C3CC3)C2)o1 ZINC001031507814 642242885 /nfs/dbraw/zinc/24/28/85/642242885.db2.gz GTTFVBZGLATSNW-UHFFFAOYSA-N 1 2 249.314 0.941 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCCO1 ZINC000154841182 642280480 /nfs/dbraw/zinc/28/04/80/642280480.db2.gz NQFUIFZELKTMQZ-UHFFFAOYSA-N 1 2 209.249 0.827 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1cn[nH]c1 ZINC001031559669 642302668 /nfs/dbraw/zinc/30/26/68/642302668.db2.gz STZGFIPYTWDGHJ-UHFFFAOYSA-N 1 2 226.255 0.041 20 0 BCADLO C=CC[N@@H+](C)CN1C[C@H](C(=O)OC)CC1=O ZINC000154969795 642335639 /nfs/dbraw/zinc/33/56/39/642335639.db2.gz QMHHMJDEASXBAN-SECBINFHSA-N 1 2 226.276 0.083 20 0 BCADLO C=CC[N@H+](C)CN1C[C@H](C(=O)OC)CC1=O ZINC000154969795 642335645 /nfs/dbraw/zinc/33/56/45/642335645.db2.gz QMHHMJDEASXBAN-SECBINFHSA-N 1 2 226.276 0.083 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919981497 642417029 /nfs/dbraw/zinc/41/70/29/642417029.db2.gz MVIHOKNMHDBOHF-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919981497 642417036 /nfs/dbraw/zinc/41/70/36/642417036.db2.gz MVIHOKNMHDBOHF-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@H](C)O)C2 ZINC000933256244 642425903 /nfs/dbraw/zinc/42/59/03/642425903.db2.gz YAYSCBDSIQMHHZ-VIFPVBQESA-N 1 2 209.293 0.642 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@H](C)O)C2 ZINC000933256244 642425905 /nfs/dbraw/zinc/42/59/05/642425905.db2.gz YAYSCBDSIQMHHZ-VIFPVBQESA-N 1 2 209.293 0.642 20 0 BCADLO c1cn(CCCSc2nnc3[nH]cnn32)c[nH+]1 ZINC000920153384 642441401 /nfs/dbraw/zinc/44/14/01/642441401.db2.gz PHZGIYRLJDBIRS-UHFFFAOYSA-N 1 2 249.303 0.831 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCOC)[nH+]cn1 ZINC000891391215 642459299 /nfs/dbraw/zinc/45/92/99/642459299.db2.gz UBKKEOZOIFWQSB-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CC[C@H](CO)Nc1cc(NCCOC)nc[nH+]1 ZINC000891391215 642459302 /nfs/dbraw/zinc/45/93/02/642459302.db2.gz UBKKEOZOIFWQSB-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO CC(C)C1(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000921412700 642611717 /nfs/dbraw/zinc/61/17/17/642611717.db2.gz TUZITNRHFLZWPF-SNVBAGLBSA-N 1 2 246.376 0.799 20 0 BCADLO CC(C)C1(S(=O)(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000921412700 642611729 /nfs/dbraw/zinc/61/17/29/642611729.db2.gz TUZITNRHFLZWPF-SNVBAGLBSA-N 1 2 246.376 0.799 20 0 BCADLO Cn1cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921412805 642612013 /nfs/dbraw/zinc/61/20/13/642612013.db2.gz WAIIKPNLYQGESK-SECBINFHSA-N 1 2 243.332 0.008 20 0 BCADLO Cn1cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921412805 642612017 /nfs/dbraw/zinc/61/20/17/642612017.db2.gz WAIIKPNLYQGESK-SECBINFHSA-N 1 2 243.332 0.008 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccn1 ZINC000921412032 642613720 /nfs/dbraw/zinc/61/37/20/642613720.db2.gz DOPQQWKTRMXPIV-VIFPVBQESA-N 1 2 241.316 0.064 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccn1 ZINC000921412032 642613726 /nfs/dbraw/zinc/61/37/26/642613726.db2.gz DOPQQWKTRMXPIV-VIFPVBQESA-N 1 2 241.316 0.064 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000965957714 642775480 /nfs/dbraw/zinc/77/54/80/642775480.db2.gz HQYYNGJAWBGTAZ-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2CCN(C(C)=O)C2)o1 ZINC000965981827 642777219 /nfs/dbraw/zinc/77/72/19/642777219.db2.gz IUAIVSPMSNFYBN-SECBINFHSA-N 1 2 238.291 0.342 20 0 BCADLO c1n[nH]c2c1[C@H]([NH2+]C[C@@H]1COCCO1)CCC2 ZINC000353409239 642824953 /nfs/dbraw/zinc/82/49/53/642824953.db2.gz VWWKHFPURSAPPQ-MWLCHTKSSA-N 1 2 237.303 0.792 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccncc1 ZINC001009900469 642845633 /nfs/dbraw/zinc/84/56/33/642845633.db2.gz SNTZPTTZVWMBGA-LLVKDONJSA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccncc1 ZINC001009900469 642845636 /nfs/dbraw/zinc/84/56/36/642845636.db2.gz SNTZPTTZVWMBGA-LLVKDONJSA-N 1 2 237.278 0.855 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010351482 642860585 /nfs/dbraw/zinc/86/05/85/642860585.db2.gz ZOJQCLWIPBWNJT-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010351482 642860588 /nfs/dbraw/zinc/86/05/88/642860588.db2.gz ZOJQCLWIPBWNJT-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO CO[C@@H](C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181657621 642890662 /nfs/dbraw/zinc/89/06/62/642890662.db2.gz NYVYVVYXFKOEDJ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CO[C@H](C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181657638 642890780 /nfs/dbraw/zinc/89/07/80/642890780.db2.gz NYVYVVYXFKOEDJ-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cc(F)c[nH]1 ZINC001015313232 642897187 /nfs/dbraw/zinc/89/71/87/642897187.db2.gz KXXVUJZLHYVOEH-SECBINFHSA-N 1 2 243.257 0.927 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cc(F)c[nH]1 ZINC001015313232 642897189 /nfs/dbraw/zinc/89/71/89/642897189.db2.gz KXXVUJZLHYVOEH-SECBINFHSA-N 1 2 243.257 0.927 20 0 BCADLO CO[C@@H](C)C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000182361920 643001542 /nfs/dbraw/zinc/00/15/42/643001542.db2.gz QHQPIRZGPIFTJE-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO CO[C@@H](C)C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000182361920 643001549 /nfs/dbraw/zinc/00/15/49/643001549.db2.gz QHQPIRZGPIFTJE-VIFPVBQESA-N 1 2 235.349 0.530 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001018382184 642986491 /nfs/dbraw/zinc/98/64/91/642986491.db2.gz IRPORVYYUUNKTJ-XVKPBYJWSA-N 1 2 238.291 0.649 20 0 BCADLO CCc1noc(C[NH2+][C@H]2CCN(C(C)=O)C2)n1 ZINC001018384290 642987101 /nfs/dbraw/zinc/98/71/01/642987101.db2.gz NEAOVPARJXQDRZ-VIFPVBQESA-N 1 2 238.291 0.342 20 0 BCADLO CC(C)C[C@@H]1COCC[N@@H+]1Cn1cnnc1 ZINC000182586886 643039390 /nfs/dbraw/zinc/03/93/90/643039390.db2.gz CKTJCVLEEJTSIH-LLVKDONJSA-N 1 2 224.308 0.983 20 0 BCADLO CC(C)C[C@@H]1COCC[N@H+]1Cn1cnnc1 ZINC000182586886 643039398 /nfs/dbraw/zinc/03/93/98/643039398.db2.gz CKTJCVLEEJTSIH-LLVKDONJSA-N 1 2 224.308 0.983 20 0 BCADLO C[C@@H]([NH2+]CCS(C)(=O)=O)c1nccs1 ZINC000070733061 643066657 /nfs/dbraw/zinc/06/66/57/643066657.db2.gz SHEWTVZHHITDCD-SSDOTTSWSA-N 1 2 234.346 0.838 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000070966858 643088018 /nfs/dbraw/zinc/08/80/18/643088018.db2.gz VMONTJKZOKNYCV-OPRDCNLKSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000070966856 643089065 /nfs/dbraw/zinc/08/90/65/643089065.db2.gz VMONTJKZOKNYCV-AEJSXWLSSA-N 1 2 215.293 0.953 20 0 BCADLO CC(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC000969170326 643093933 /nfs/dbraw/zinc/09/39/33/643093933.db2.gz KYDCZYQWGDXKFT-VIFPVBQESA-N 1 2 236.319 0.377 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1n[nH]cc1F ZINC001031954925 643098346 /nfs/dbraw/zinc/09/83/46/643098346.db2.gz KMPKBVJIJKZXEY-UHFFFAOYSA-N 1 2 244.245 0.180 20 0 BCADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000286215003 643116185 /nfs/dbraw/zinc/11/61/85/643116185.db2.gz SEAOZOFFCXMIOI-WDSKDSINSA-N 1 2 223.198 0.984 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000286214999 643116199 /nfs/dbraw/zinc/11/61/99/643116199.db2.gz SEAOZOFFCXMIOI-RITPCOANSA-N 1 2 223.198 0.984 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)O1 ZINC001031988118 643157192 /nfs/dbraw/zinc/15/71/92/643157192.db2.gz LXXYPRFRICDMNP-MWLCHTKSSA-N 1 2 244.310 0.571 20 0 BCADLO CC1(CC(=O)NCCc2[nH]cc[nH+]2)COC1 ZINC000932475711 643296437 /nfs/dbraw/zinc/29/64/37/643296437.db2.gz SBGFEDRYVSAHHS-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000091577742 643330829 /nfs/dbraw/zinc/33/08/29/643330829.db2.gz DGGQRRDAMSOFAD-NSHDSACASA-N 1 2 244.335 0.753 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000091577742 643330833 /nfs/dbraw/zinc/33/08/33/643330833.db2.gz DGGQRRDAMSOFAD-NSHDSACASA-N 1 2 244.335 0.753 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000082647219 643362878 /nfs/dbraw/zinc/36/28/78/643362878.db2.gz CSURVVKBTMWHPV-MRVPVSSYSA-N 1 2 213.277 0.849 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082669179 643364826 /nfs/dbraw/zinc/36/48/26/643364826.db2.gz FGXJTKXXOUTQCI-SNVBAGLBSA-N 1 2 222.292 0.476 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000932645303 643389247 /nfs/dbraw/zinc/38/92/47/643389247.db2.gz AARUWPNMKLRZLT-IUCAKERBSA-N 1 2 227.260 0.187 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000932645303 643389254 /nfs/dbraw/zinc/38/92/54/643389254.db2.gz AARUWPNMKLRZLT-IUCAKERBSA-N 1 2 227.260 0.187 20 0 BCADLO C[C@H]1C(=O)CCC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC000932848811 643534434 /nfs/dbraw/zinc/53/44/34/643534434.db2.gz KUNNYJCRVNFAOQ-WDEREUQCSA-N 1 2 238.331 0.956 20 0 BCADLO C[C@H]1C(=O)CCC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC000932848811 643534440 /nfs/dbraw/zinc/53/44/40/643534440.db2.gz KUNNYJCRVNFAOQ-WDEREUQCSA-N 1 2 238.331 0.956 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000083604656 643596695 /nfs/dbraw/zinc/59/66/95/643596695.db2.gz CWNFNGCFUMCVDU-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000083604656 643596699 /nfs/dbraw/zinc/59/66/99/643596699.db2.gz CWNFNGCFUMCVDU-MRVPVSSYSA-N 1 2 225.248 0.373 20 0 BCADLO CCONC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000083643667 643602364 /nfs/dbraw/zinc/60/23/64/643602364.db2.gz NDMGERNCPFBCOD-LLVKDONJSA-N 1 2 220.272 0.941 20 0 BCADLO CONC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000083643665 643603856 /nfs/dbraw/zinc/60/38/56/643603856.db2.gz UPMXBSGDVMVBDW-JTQLQIEISA-N 1 2 206.245 0.551 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)CC(=O)N(C)C ZINC000084002369 643639408 /nfs/dbraw/zinc/63/94/08/643639408.db2.gz YUBAOWHTXQJGOL-RMKNXTFCSA-N 1 2 228.292 0.126 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)CC(=O)N(C)C ZINC000084002369 643639412 /nfs/dbraw/zinc/63/94/12/643639412.db2.gz YUBAOWHTXQJGOL-RMKNXTFCSA-N 1 2 228.292 0.126 20 0 BCADLO COC(C[N@H+](C)CC(=O)N1CCCC1)OC ZINC000085351308 643746538 /nfs/dbraw/zinc/74/65/38/643746538.db2.gz GDQVBZUMKKYICG-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO COC(C[N@@H+](C)CC(=O)N1CCCC1)OC ZINC000085351308 643746541 /nfs/dbraw/zinc/74/65/41/643746541.db2.gz GDQVBZUMKKYICG-UHFFFAOYSA-N 1 2 230.308 0.160 20 0 BCADLO COC(C[N@H+](C)CC(=O)NC(C)C)OC ZINC000085351355 643747920 /nfs/dbraw/zinc/74/79/20/643747920.db2.gz JAAGGBRUXJMPIK-UHFFFAOYSA-N 1 2 218.297 0.062 20 0 BCADLO COC(C[N@@H+](C)CC(=O)NC(C)C)OC ZINC000085351355 643747923 /nfs/dbraw/zinc/74/79/23/643747923.db2.gz JAAGGBRUXJMPIK-UHFFFAOYSA-N 1 2 218.297 0.062 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002187724 643810638 /nfs/dbraw/zinc/81/06/38/643810638.db2.gz YUGBJTKYGZUNCN-UHFFFAOYSA-N 1 2 234.303 0.577 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000921971107 643835095 /nfs/dbraw/zinc/83/50/95/643835095.db2.gz HQXLMCAVCUXBJE-PSASIEDQSA-N 1 2 223.276 0.324 20 0 BCADLO CCONC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922039096 643851867 /nfs/dbraw/zinc/85/18/67/643851867.db2.gz PBPOYVQBDCZRJH-SNVBAGLBSA-N 1 2 245.323 0.348 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922128725 643867251 /nfs/dbraw/zinc/86/72/51/643867251.db2.gz FZDPCLRTNLMSLW-ZETCQYMHSA-N 1 2 237.259 0.232 20 0 BCADLO Cc1[nH]c(CNc2nncn2C)[nH+]c1C ZINC000922178078 643892430 /nfs/dbraw/zinc/89/24/30/643892430.db2.gz RSZXEZPNOKFDAD-UHFFFAOYSA-N 1 2 206.253 0.767 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCCO1 ZINC000922242455 643918225 /nfs/dbraw/zinc/91/82/25/643918225.db2.gz AJXTUWBGPOFNAN-VIFPVBQESA-N 1 2 222.244 0.886 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=C[C@H]1CO ZINC000922277693 643944723 /nfs/dbraw/zinc/94/47/23/643944723.db2.gz MRDNGOLYHOFJAL-VIFPVBQESA-N 1 2 221.260 0.020 20 0 BCADLO C[C@@H](CC(=O)N1CC=C[C@H]1CO)n1cc[nH+]c1 ZINC000922283383 643953417 /nfs/dbraw/zinc/95/34/17/643953417.db2.gz YVXRZOWRAATNQR-QWRGUYRKSA-N 1 2 235.287 0.594 20 0 BCADLO CN1C[C@@H](C(=O)OCc2ccc(N)[nH+]c2)CC1=O ZINC000922324313 643970228 /nfs/dbraw/zinc/97/02/28/643970228.db2.gz MKZZWRLHDDUYQY-VIFPVBQESA-N 1 2 249.270 0.185 20 0 BCADLO Nc1ccc(COC(=O)CNC(=O)C2CC2)c[nH+]1 ZINC000922331639 643971686 /nfs/dbraw/zinc/97/16/86/643971686.db2.gz DMABNPKNUIPAIP-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1cnn(CC(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922372696 643982324 /nfs/dbraw/zinc/98/23/24/643982324.db2.gz IJNQYMIAJJAZCN-UHFFFAOYSA-N 1 2 246.270 0.912 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H](O)C1CC1 ZINC000922426538 643991553 /nfs/dbraw/zinc/99/15/53/643991553.db2.gz BRMAQBOMCVXYLV-VIFPVBQESA-N 1 2 222.244 0.478 20 0 BCADLO CCN1CC[N@H+](CCC(C)=O)C(C)(C)C1=O ZINC000186541579 644015340 /nfs/dbraw/zinc/01/53/40/644015340.db2.gz DJCAENAUWUTAMU-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO CCN1CC[N@@H+](CCC(C)=O)C(C)(C)C1=O ZINC000186541579 644015346 /nfs/dbraw/zinc/01/53/46/644015346.db2.gz DJCAENAUWUTAMU-UHFFFAOYSA-N 1 2 226.320 0.908 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCNC(=O)C2)c[nH+]1 ZINC000922528421 644017152 /nfs/dbraw/zinc/01/71/52/644017152.db2.gz YJLQININHJAKQQ-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO Nc1ccc(COC(=O)C2CC(=O)C2)c[nH+]1 ZINC000922570888 644029419 /nfs/dbraw/zinc/02/94/19/644029419.db2.gz LLFNDNAIPSKVOR-UHFFFAOYSA-N 1 2 220.228 0.686 20 0 BCADLO CN1C(=O)CC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922602799 644040445 /nfs/dbraw/zinc/04/04/45/644040445.db2.gz NOLFUMBYVIDAHQ-VIFPVBQESA-N 1 2 249.270 0.328 20 0 BCADLO Nc1ccc(COC(=O)COCC(F)F)c[nH+]1 ZINC000922889046 644131034 /nfs/dbraw/zinc/13/10/34/644131034.db2.gz AUZZBQFLJOLMEN-UHFFFAOYSA-N 1 2 246.213 0.989 20 0 BCADLO CCOC(C[N@@H+]1CCN(C)C(=O)[C@@H]1C)OCC ZINC000187039136 644190041 /nfs/dbraw/zinc/19/00/41/644190041.db2.gz YDVHHIPJWMQBEB-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@H+]1CCN(C)C(=O)[C@@H]1C)OCC ZINC000187039136 644190042 /nfs/dbraw/zinc/19/00/42/644190042.db2.gz YDVHHIPJWMQBEB-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO Nc1ccc(COC(=O)C[C@H]2CCNC2=O)c[nH+]1 ZINC000922935528 644193546 /nfs/dbraw/zinc/19/35/46/644193546.db2.gz SGNJOGFLEYCKFN-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C[C@H]1CCNC1=O ZINC000922935041 644194259 /nfs/dbraw/zinc/19/42/59/644194259.db2.gz QHUXYWBQWSSLAN-MRVPVSSYSA-N 1 2 249.270 0.233 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939652 644194294 /nfs/dbraw/zinc/19/42/94/644194294.db2.gz RQCFULHKGLJIDP-LLVKDONJSA-N 1 2 225.292 0.613 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC=CO1 ZINC000193707834 644274757 /nfs/dbraw/zinc/27/47/57/644274757.db2.gz PJVNYVHRINERBR-JTQLQIEISA-N 1 2 233.333 0.656 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC=CO1 ZINC000193707834 644274760 /nfs/dbraw/zinc/27/47/60/644274760.db2.gz PJVNYVHRINERBR-JTQLQIEISA-N 1 2 233.333 0.656 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000951788671 644284049 /nfs/dbraw/zinc/28/40/49/644284049.db2.gz WWVBVVRYHJLYAZ-ZYHUDNBSSA-N 1 2 240.347 0.558 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@H]1CCC=CO1 ZINC000194708138 644340067 /nfs/dbraw/zinc/34/00/67/644340067.db2.gz GPMRTIMIRRLZNX-MRVPVSSYSA-N 1 2 207.220 0.896 20 0 BCADLO COC(=O)c1ccc2c(c1)CC[N@@H+](CC(N)=O)C2 ZINC000082792051 644396180 /nfs/dbraw/zinc/39/61/80/644396180.db2.gz LYTGXHCVTIXQBM-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO COC(=O)c1ccc2c(c1)CC[N@H+](CC(N)=O)C2 ZINC000082792051 644396186 /nfs/dbraw/zinc/39/61/86/644396186.db2.gz LYTGXHCVTIXQBM-UHFFFAOYSA-N 1 2 248.282 0.317 20 0 BCADLO COC(=O)c1cnc(N2CC[NH+](C)CC2)s1 ZINC000087663772 644501735 /nfs/dbraw/zinc/50/17/35/644501735.db2.gz UPQVULHVHJNQLT-UHFFFAOYSA-N 1 2 241.316 0.682 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c[nH+]1 ZINC000923570529 644506992 /nfs/dbraw/zinc/50/69/92/644506992.db2.gz KCNGXTRULHQJCW-GGZOMVNGSA-N 1 2 246.266 0.932 20 0 BCADLO CC(C)C1(O)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000089666860 644560227 /nfs/dbraw/zinc/56/02/27/644560227.db2.gz XENWMWQDDZAKMH-UHFFFAOYSA-N 1 2 247.302 0.570 20 0 BCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)=O ZINC000639461158 644601253 /nfs/dbraw/zinc/60/12/53/644601253.db2.gz OXKNNTQNHCIJQZ-LLVKDONJSA-N 1 2 226.320 0.908 20 0 BCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)=O ZINC000639461158 644601255 /nfs/dbraw/zinc/60/12/55/644601255.db2.gz OXKNNTQNHCIJQZ-LLVKDONJSA-N 1 2 226.320 0.908 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCOC1=O)[C@H]1CCCO1 ZINC000248584026 644689535 /nfs/dbraw/zinc/68/95/35/644689535.db2.gz JFYRPWPTFMSFFP-LPEHRKFASA-N 1 2 213.277 0.849 20 0 BCADLO O=C(Cn1cccn1)OCCn1cc[nH+]c1 ZINC000771877198 644690511 /nfs/dbraw/zinc/69/05/11/644690511.db2.gz OMVRQKDEBZDBJB-UHFFFAOYSA-N 1 2 220.232 0.323 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000249015452 644707986 /nfs/dbraw/zinc/70/79/86/644707986.db2.gz JFEMXBPTNJLBMR-MNOVXSKESA-N 1 2 241.287 0.553 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000249015452 644707990 /nfs/dbraw/zinc/70/79/90/644707990.db2.gz JFEMXBPTNJLBMR-MNOVXSKESA-N 1 2 241.287 0.553 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H](C)CC1=O ZINC000840083862 644858741 /nfs/dbraw/zinc/85/87/41/644858741.db2.gz PLKHXBRJNGIOQB-UWVGGRQHSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H](C)CC1=O ZINC000840083862 644858743 /nfs/dbraw/zinc/85/87/43/644858743.db2.gz PLKHXBRJNGIOQB-UWVGGRQHSA-N 1 2 212.293 0.533 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cn1cc[nH]c1=S ZINC000840084673 644858877 /nfs/dbraw/zinc/85/88/77/644858877.db2.gz VRAOLDKCKBXPDY-QMMMGPOBSA-N 1 2 213.306 0.850 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cn1cc[nH]c1=S ZINC000840084673 644858878 /nfs/dbraw/zinc/85/88/78/644858878.db2.gz VRAOLDKCKBXPDY-QMMMGPOBSA-N 1 2 213.306 0.850 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccnc(CO)c1 ZINC000807170196 644859759 /nfs/dbraw/zinc/85/97/59/644859759.db2.gz YQCJSMYVBGLRLI-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccnc(CO)c1 ZINC000807170196 644859765 /nfs/dbraw/zinc/85/97/65/644859765.db2.gz YQCJSMYVBGLRLI-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO CC[NH2+]Cc1noc([C@@H](C)CC(=O)OC)n1 ZINC000843145265 644865832 /nfs/dbraw/zinc/86/58/32/644865832.db2.gz HMAGYGPAWBMHAE-ZETCQYMHSA-N 1 2 227.264 0.846 20 0 BCADLO CC[C@@H]1C[NH+](CC(=O)N(C)OC)C[C@@H](CC)O1 ZINC000817281044 644969125 /nfs/dbraw/zinc/96/91/25/644969125.db2.gz QJCMYCOUZDMKAC-GHMZBOCLSA-N 1 2 244.335 0.896 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOCC1CC1 ZINC000817339732 644973725 /nfs/dbraw/zinc/97/37/25/644973725.db2.gz VCLBDKFHLCQSPM-UHFFFAOYSA-N 1 2 228.292 0.167 20 0 BCADLO C[C@H]1CN=C(NC(=O)Cn2cc[nH+]c2)S1 ZINC000819772857 645016520 /nfs/dbraw/zinc/01/65/20/645016520.db2.gz JKNOTQOORRJYQV-ZETCQYMHSA-N 1 2 224.289 0.491 20 0 BCADLO O=C(N[C@H]1CCOC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823621123 645049431 /nfs/dbraw/zinc/04/94/31/645049431.db2.gz OYUSVXOQVJYYIV-VIFPVBQESA-N 1 2 245.238 0.608 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCN(C=O)CC2)cn1 ZINC000827867662 645087528 /nfs/dbraw/zinc/08/75/28/645087528.db2.gz MELPJFPWWQKLGV-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CCc1ncc(C[N@H+]2CCCN(C=O)CC2)cn1 ZINC000827867662 645087533 /nfs/dbraw/zinc/08/75/33/645087533.db2.gz MELPJFPWWQKLGV-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CCCONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000828240988 645100240 /nfs/dbraw/zinc/10/02/40/645100240.db2.gz KEVHAWSIPQXSRV-JTQLQIEISA-N 1 2 245.323 0.348 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(C)=NO1 ZINC000829493723 645109054 /nfs/dbraw/zinc/10/90/54/645109054.db2.gz QWKMXWUIUVDBJQ-VIFPVBQESA-N 1 2 222.248 0.499 20 0 BCADLO C[C@H](NC(=O)OCCCF)[C@H]1C[N@H+](C)CCO1 ZINC000841506660 645217726 /nfs/dbraw/zinc/21/77/26/645217726.db2.gz TZIOYMHJKNFERV-VHSXEESVSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@H](NC(=O)OCCCF)[C@H]1C[N@@H+](C)CCO1 ZINC000841506660 645217730 /nfs/dbraw/zinc/21/77/30/645217730.db2.gz TZIOYMHJKNFERV-VHSXEESVSA-N 1 2 248.298 0.791 20 0 BCADLO COCC(COC)[NH2+][C@@H](C)c1nonc1C ZINC000926532056 645259017 /nfs/dbraw/zinc/25/90/17/645259017.db2.gz WDXCHMJOKJSUSX-ZETCQYMHSA-N 1 2 229.280 0.690 20 0 BCADLO COc1cccnc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926552100 645273982 /nfs/dbraw/zinc/27/39/82/645273982.db2.gz UDXPTSVZOOIGKG-NSHDSACASA-N 1 2 249.314 0.704 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926574642 645292811 /nfs/dbraw/zinc/29/28/11/645292811.db2.gz FRHYJJLLLQBTOA-XFWSIPNHSA-N 1 2 238.291 0.287 20 0 BCADLO CC[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@H]1C ZINC000843838885 645310971 /nfs/dbraw/zinc/31/09/71/645310971.db2.gz SXMXTSBYCJONKJ-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@H]1C ZINC000843838885 645310976 /nfs/dbraw/zinc/31/09/76/645310976.db2.gz SXMXTSBYCJONKJ-GHMZBOCLSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268074 645319496 /nfs/dbraw/zinc/31/94/96/645319496.db2.gz BLIUYJSWIPMGAG-GXSJLCMTSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268074 645319500 /nfs/dbraw/zinc/31/95/00/645319500.db2.gz BLIUYJSWIPMGAG-GXSJLCMTSA-N 1 2 240.303 0.690 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926636521 645325335 /nfs/dbraw/zinc/32/53/35/645325335.db2.gz FRHYJJLLLQBTOA-UTINFBMNSA-N 1 2 238.291 0.287 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000926637216 645326062 /nfs/dbraw/zinc/32/60/62/645326062.db2.gz KDHZBLLJVNAOEQ-IWSPIJDZSA-N 1 2 212.249 0.739 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(C)c1=O ZINC000844692414 645344216 /nfs/dbraw/zinc/34/42/16/645344216.db2.gz YQRXMCVUMLLREY-SNVBAGLBSA-N 1 2 224.308 0.722 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C)n(C)c1=O ZINC000844692414 645344222 /nfs/dbraw/zinc/34/42/22/645344222.db2.gz YQRXMCVUMLLREY-SNVBAGLBSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H](C)CC2)c(=O)n1C ZINC000844691594 645344321 /nfs/dbraw/zinc/34/43/21/645344321.db2.gz XEQRHIAWOWSZLQ-SNVBAGLBSA-N 1 2 238.335 0.970 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)CC2)c(=O)n1C ZINC000844691594 645344327 /nfs/dbraw/zinc/34/43/27/645344327.db2.gz XEQRHIAWOWSZLQ-SNVBAGLBSA-N 1 2 238.335 0.970 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cnn(C)n1 ZINC000926810788 645441930 /nfs/dbraw/zinc/44/19/30/645441930.db2.gz CXUBBEWGZFQJPW-IUCAKERBSA-N 1 2 234.307 0.960 20 0 BCADLO C[C@@H]1COC[C@H]1[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000926826157 645447584 /nfs/dbraw/zinc/44/75/84/645447584.db2.gz XAOCXUSJBDATSW-LYGAQUJYSA-N 1 2 247.364 0.230 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2COC[C@H]2C)n1 ZINC000926878230 645470958 /nfs/dbraw/zinc/47/09/58/645470958.db2.gz PTGCJFNBJYRPFC-HTQZYQBOSA-N 1 2 242.348 0.792 20 0 BCADLO CO[C@H]([C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854850867 645512592 /nfs/dbraw/zinc/51/25/92/645512592.db2.gz NMKJWWGAZXCWBE-PRHODGIISA-N 1 2 237.303 0.882 20 0 BCADLO O=C(CC1(O)CCC1)NCCn1cc[nH+]c1 ZINC000857436773 645557672 /nfs/dbraw/zinc/55/76/72/645557672.db2.gz INCUNVXVCHYBLN-UHFFFAOYSA-N 1 2 223.276 0.304 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc[nH]c1=O ZINC000857442920 645558955 /nfs/dbraw/zinc/55/89/55/645558955.db2.gz AKNBHJHBPMYPTO-UHFFFAOYSA-N 1 2 218.216 0.692 20 0 BCADLO O=C(CC1(O)CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000857452109 645564020 /nfs/dbraw/zinc/56/40/20/645564020.db2.gz OQRAPFCTLOYTEX-UHFFFAOYSA-N 1 2 235.287 0.572 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC2 ZINC000857507851 645581537 /nfs/dbraw/zinc/58/15/37/645581537.db2.gz UTQFZEZVXSAILZ-VIFPVBQESA-N 1 2 205.261 0.836 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC1(F)F ZINC000857506360 645581990 /nfs/dbraw/zinc/58/19/90/645581990.db2.gz DDAOIBSEMUYPER-ZETCQYMHSA-N 1 2 215.203 0.692 20 0 BCADLO CCO[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927779212 645657913 /nfs/dbraw/zinc/65/79/13/645657913.db2.gz VPVHJFGOPJVGNI-MRVPVSSYSA-N 1 2 223.276 0.705 20 0 BCADLO C[C@]1(C2CC2)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000864069742 645711902 /nfs/dbraw/zinc/71/19/02/645711902.db2.gz HHLJURCAKFBGDK-CYBMUJFWSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000864069555 645711956 /nfs/dbraw/zinc/71/19/56/645711956.db2.gz DVCIDKFQNFLESH-ZJUUUORDSA-N 1 2 235.287 0.372 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000864070801 645712610 /nfs/dbraw/zinc/71/26/10/645712610.db2.gz CBVYJSZVPCYBQD-SCZZXKLOSA-N 1 2 209.249 0.246 20 0 BCADLO COC[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869439563 645743527 /nfs/dbraw/zinc/74/35/27/645743527.db2.gz PTICLFXCFFMMAK-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO CC(=O)CC1(C(=O)NC[C@H]2CC[N@H+]2C)CCC1 ZINC000928556999 645812319 /nfs/dbraw/zinc/81/23/19/645812319.db2.gz RIEJLTALSHCODH-LLVKDONJSA-N 1 2 238.331 0.956 20 0 BCADLO CC(=O)CC1(C(=O)NC[C@H]2CC[N@@H+]2C)CCC1 ZINC000928556999 645812329 /nfs/dbraw/zinc/81/23/29/645812329.db2.gz RIEJLTALSHCODH-LLVKDONJSA-N 1 2 238.331 0.956 20 0 BCADLO CC(=O)CC1(C(=O)NC[C@@H]2CC[N@H+]2C)CCC1 ZINC000928557000 645812904 /nfs/dbraw/zinc/81/29/04/645812904.db2.gz RIEJLTALSHCODH-NSHDSACASA-N 1 2 238.331 0.956 20 0 BCADLO CC(=O)CC1(C(=O)NC[C@@H]2CC[N@@H+]2C)CCC1 ZINC000928557000 645812911 /nfs/dbraw/zinc/81/29/11/645812911.db2.gz RIEJLTALSHCODH-NSHDSACASA-N 1 2 238.331 0.956 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC000928565090 645828025 /nfs/dbraw/zinc/82/80/25/645828025.db2.gz ZDRHQGYBBIYZRV-MRVPVSSYSA-N 1 2 212.293 0.422 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC000928565090 645828029 /nfs/dbraw/zinc/82/80/29/645828029.db2.gz ZDRHQGYBBIYZRV-MRVPVSSYSA-N 1 2 212.293 0.422 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]1C ZINC000928635123 645851931 /nfs/dbraw/zinc/85/19/31/645851931.db2.gz IWRRMZWYVQUKSK-UTUOFQBUSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1C ZINC000928635122 645853093 /nfs/dbraw/zinc/85/30/93/645853093.db2.gz IWRRMZWYVQUKSK-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000928902686 645886117 /nfs/dbraw/zinc/88/61/17/645886117.db2.gz FZZVDAOLQFDNEF-GMTAPVOTSA-N 1 2 249.314 0.597 20 0 BCADLO COC(=O)Cn1cc(C[N@H+]2CC=CCC2)nn1 ZINC000887547838 645897850 /nfs/dbraw/zinc/89/78/50/645897850.db2.gz ZTMFKUVPEOMBDP-UHFFFAOYSA-N 1 2 236.275 0.213 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+]2CC=CCC2)nn1 ZINC000887547838 645897855 /nfs/dbraw/zinc/89/78/55/645897855.db2.gz ZTMFKUVPEOMBDP-UHFFFAOYSA-N 1 2 236.275 0.213 20 0 BCADLO CC[N@H+](Cc1cc(C)nnc1C)[C@H]1CCNC1=O ZINC000930322205 645951654 /nfs/dbraw/zinc/95/16/54/645951654.db2.gz AAGWUUNUMSWZBD-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO CC[N@@H+](Cc1cc(C)nnc1C)[C@H]1CCNC1=O ZINC000930322205 645951657 /nfs/dbraw/zinc/95/16/57/645951657.db2.gz AAGWUUNUMSWZBD-LBPRGKRZSA-N 1 2 248.330 0.804 20 0 BCADLO COCCOCc1noc([C@@H](C)[NH+](C)C)n1 ZINC000923925052 645961868 /nfs/dbraw/zinc/96/18/68/645961868.db2.gz BORGBGXOFFBOCO-MRVPVSSYSA-N 1 2 229.280 0.855 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000929176887 645987623 /nfs/dbraw/zinc/98/76/23/645987623.db2.gz LMLJKBKCUCVZAW-VIFPVBQESA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000929176887 645987627 /nfs/dbraw/zinc/98/76/27/645987627.db2.gz LMLJKBKCUCVZAW-VIFPVBQESA-N 1 2 229.276 0.039 20 0 BCADLO C[N@H+](CCOC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929203272 646002996 /nfs/dbraw/zinc/00/29/96/646002996.db2.gz HPPPYEWLGFJEKN-VIFPVBQESA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](CCOC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929203272 646003002 /nfs/dbraw/zinc/00/30/02/646003002.db2.gz HPPPYEWLGFJEKN-VIFPVBQESA-N 1 2 233.333 0.284 20 0 BCADLO CC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC000929214103 646011819 /nfs/dbraw/zinc/01/18/19/646011819.db2.gz GVUJLOFFZSATBV-UHFFFAOYSA-N 1 2 239.344 0.850 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+](C)CC(=O)NC1CC1 ZINC000929228681 646025479 /nfs/dbraw/zinc/02/54/79/646025479.db2.gz QQDDTFTUJNHCRW-RMKNXTFCSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+](C)CC(=O)NC1CC1 ZINC000929228681 646025484 /nfs/dbraw/zinc/02/54/84/646025484.db2.gz QQDDTFTUJNHCRW-RMKNXTFCSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929297950 646071502 /nfs/dbraw/zinc/07/15/02/646071502.db2.gz MJQWRHJSSWPAMP-UHFFFAOYSA-N 1 2 228.292 0.549 20 0 BCADLO CCNC(=O)C[N@H+](C)CCc1ccns1 ZINC000929298406 646071536 /nfs/dbraw/zinc/07/15/36/646071536.db2.gz ZCJBJRLMWWWKJQ-UHFFFAOYSA-N 1 2 227.333 0.754 20 0 BCADLO CCNC(=O)C[N@@H+](C)CCc1ccns1 ZINC000929298406 646071541 /nfs/dbraw/zinc/07/15/41/646071541.db2.gz ZCJBJRLMWWWKJQ-UHFFFAOYSA-N 1 2 227.333 0.754 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@@H](O)[C@H](C)O)cs1 ZINC000929342685 646073564 /nfs/dbraw/zinc/07/35/64/646073564.db2.gz GZQJDOYIWLNSEA-WCBMZHEXSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@@H](O)[C@H](C)O)cs1 ZINC000929342685 646073568 /nfs/dbraw/zinc/07/35/68/646073568.db2.gz GZQJDOYIWLNSEA-WCBMZHEXSA-N 1 2 244.360 0.879 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)[C@H](C)O ZINC000929361013 646096901 /nfs/dbraw/zinc/09/69/01/646096901.db2.gz UTCQWLKONGLRPU-VHSXEESVSA-N 1 2 233.308 0.003 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@@H](O)[C@H](C)O ZINC000929361013 646096908 /nfs/dbraw/zinc/09/69/08/646096908.db2.gz UTCQWLKONGLRPU-VHSXEESVSA-N 1 2 233.308 0.003 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000924755241 646102474 /nfs/dbraw/zinc/10/24/74/646102474.db2.gz HYSCNDBKPOVVFE-INEUFUBQSA-N 1 2 239.197 0.952 20 0 BCADLO CN(C)C(=O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929440741 646119492 /nfs/dbraw/zinc/11/94/92/646119492.db2.gz BKXJKGOBRCGGLA-UHFFFAOYSA-N 1 2 246.270 0.381 20 0 BCADLO Cc1cccc([C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000929486207 646143075 /nfs/dbraw/zinc/14/30/75/646143075.db2.gz BNZBIOOWOGGZMQ-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000929486207 646143079 /nfs/dbraw/zinc/14/30/79/646143079.db2.gz BNZBIOOWOGGZMQ-AAEUAGOBSA-N 1 2 248.326 0.849 20 0 BCADLO C[N@H+](CCOC1CC1)CCS(C)(=O)=O ZINC000929494823 646148195 /nfs/dbraw/zinc/14/81/95/646148195.db2.gz SFJZYUVFLKWDHQ-UHFFFAOYSA-N 1 2 221.322 0.142 20 0 BCADLO C[N@@H+](CCOC1CC1)CCS(C)(=O)=O ZINC000929494823 646148197 /nfs/dbraw/zinc/14/81/97/646148197.db2.gz SFJZYUVFLKWDHQ-UHFFFAOYSA-N 1 2 221.322 0.142 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nncs1 ZINC000929522108 646170667 /nfs/dbraw/zinc/17/06/67/646170667.db2.gz XCXYURPOKHRWIT-HTQZYQBOSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nncs1 ZINC000929522108 646170672 /nfs/dbraw/zinc/17/06/72/646170672.db2.gz XCXYURPOKHRWIT-HTQZYQBOSA-N 1 2 240.332 0.624 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(OC)C2=O)C[C@H](C)O1 ZINC000929620695 646207914 /nfs/dbraw/zinc/20/79/14/646207914.db2.gz UZJFIMGQDRYDIQ-HBNTYKKESA-N 1 2 242.319 0.648 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(OC)C2=O)C[C@H](C)O1 ZINC000929620695 646207909 /nfs/dbraw/zinc/20/79/09/646207909.db2.gz UZJFIMGQDRYDIQ-HBNTYKKESA-N 1 2 242.319 0.648 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)C1(O)CCCC1 ZINC000929625762 646209291 /nfs/dbraw/zinc/20/92/91/646209291.db2.gz VSHVICSYZSNIDY-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)C1(O)CCCC1 ZINC000929625762 646209298 /nfs/dbraw/zinc/20/92/98/646209298.db2.gz VSHVICSYZSNIDY-LLVKDONJSA-N 1 2 239.319 0.508 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000929682593 646240077 /nfs/dbraw/zinc/24/00/77/646240077.db2.gz HNQBTWFITWNTIT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000929682593 646240081 /nfs/dbraw/zinc/24/00/81/646240081.db2.gz HNQBTWFITWNTIT-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1F ZINC000929771896 646301280 /nfs/dbraw/zinc/30/12/80/646301280.db2.gz AJSOSKIYUKTKMJ-PHIMTYICSA-N 1 2 243.253 0.811 20 0 BCADLO Cc1ccc(F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1F ZINC000929771896 646301272 /nfs/dbraw/zinc/30/12/72/646301272.db2.gz AJSOSKIYUKTKMJ-PHIMTYICSA-N 1 2 243.253 0.811 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817702 646336893 /nfs/dbraw/zinc/33/68/93/646336893.db2.gz MABMHUHNRVDVQW-GXSJLCMTSA-N 1 2 227.260 0.006 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929817702 646336900 /nfs/dbraw/zinc/33/69/00/646336900.db2.gz MABMHUHNRVDVQW-GXSJLCMTSA-N 1 2 227.260 0.006 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC1 ZINC000925572074 646339365 /nfs/dbraw/zinc/33/93/65/646339365.db2.gz GPFJKFURKCVPRV-LLVKDONJSA-N 1 2 241.335 0.513 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1(O)CCC1 ZINC000929973930 646383320 /nfs/dbraw/zinc/38/33/20/646383320.db2.gz ORYZREYBTWNVKT-UWVGGRQHSA-N 1 2 245.319 0.146 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1(O)CCC1 ZINC000929973930 646383323 /nfs/dbraw/zinc/38/33/23/646383323.db2.gz ORYZREYBTWNVKT-UWVGGRQHSA-N 1 2 245.319 0.146 20 0 BCADLO COCC(COC)[N@@H+]1CCc2c[nH]nc2C1 ZINC000930068468 646418821 /nfs/dbraw/zinc/41/88/21/646418821.db2.gz IXRBGWSFUCHMQV-UHFFFAOYSA-N 1 2 225.292 0.429 20 0 BCADLO COCC(COC)[N@H+]1CCc2c[nH]nc2C1 ZINC000930068468 646418825 /nfs/dbraw/zinc/41/88/25/646418825.db2.gz IXRBGWSFUCHMQV-UHFFFAOYSA-N 1 2 225.292 0.429 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930068553 646419674 /nfs/dbraw/zinc/41/96/74/646419674.db2.gz JNTBLGKJDFKIHQ-NTZNESFSSA-N 1 2 249.314 0.572 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930068553 646419680 /nfs/dbraw/zinc/41/96/80/646419680.db2.gz JNTBLGKJDFKIHQ-NTZNESFSSA-N 1 2 249.314 0.572 20 0 BCADLO CS(=O)(=O)CC[N@H+](CCOC1CC1)C1CC1 ZINC000930087362 646428393 /nfs/dbraw/zinc/42/83/93/646428393.db2.gz QSNPOJZDKCULEG-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CC[N@@H+](CCOC1CC1)C1CC1 ZINC000930087362 646428397 /nfs/dbraw/zinc/42/83/97/646428397.db2.gz QSNPOJZDKCULEG-UHFFFAOYSA-N 1 2 247.360 0.674 20 0 BCADLO CCc1onc(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000930106095 646435539 /nfs/dbraw/zinc/43/55/39/646435539.db2.gz VCLYQTMXKCMTSH-JTQLQIEISA-N 1 2 237.303 0.866 20 0 BCADLO CCc1onc(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000930106095 646435543 /nfs/dbraw/zinc/43/55/43/646435543.db2.gz VCLYQTMXKCMTSH-JTQLQIEISA-N 1 2 237.303 0.866 20 0 BCADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C(F)F ZINC000925769907 646470086 /nfs/dbraw/zinc/47/00/86/646470086.db2.gz HCRDMMHCXJYHBN-GJMOJQLCSA-N 1 2 236.262 0.523 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)CCc1c[nH]c[nH+]1 ZINC000925826595 646498676 /nfs/dbraw/zinc/49/86/76/646498676.db2.gz NYIXEWVAPTYDOZ-OAHLLOKOSA-N 1 2 229.305 0.987 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)CCc1c[nH+]c[nH]1 ZINC000925826595 646498681 /nfs/dbraw/zinc/49/86/81/646498681.db2.gz NYIXEWVAPTYDOZ-OAHLLOKOSA-N 1 2 229.305 0.987 20 0 BCADLO C[C@H]1C[C@@H]([NH2+][C@H]2CNOC2)c2nccn21 ZINC000925864801 646517034 /nfs/dbraw/zinc/51/70/34/646517034.db2.gz BLSMXMCOGKRZCP-XHNCKOQMSA-N 1 2 208.265 0.382 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CNOC2)c(C)c[nH+]1 ZINC000926081780 646572252 /nfs/dbraw/zinc/57/22/52/646572252.db2.gz ROYKFMNRBNLXIG-SECBINFHSA-N 1 2 236.275 0.145 20 0 BCADLO COC[C@@H](CO)[NH2+][C@H](C)c1nonc1C ZINC000926336959 646618905 /nfs/dbraw/zinc/61/89/05/646618905.db2.gz GVVXQQJANDUTRM-HTRCEHHLSA-N 1 2 215.253 0.036 20 0 BCADLO CCOCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933530347 711536379 /nfs/dbraw/zinc/53/63/79/711536379.db2.gz WZSUPNNSNOPOGA-GFCCVEGCSA-N 1 2 239.319 0.830 20 0 BCADLO CCOCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933530347 711536381 /nfs/dbraw/zinc/53/63/81/711536381.db2.gz WZSUPNNSNOPOGA-GFCCVEGCSA-N 1 2 239.319 0.830 20 0 BCADLO CC(C)(C)c1coc(C[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000724434875 711579688 /nfs/dbraw/zinc/57/96/88/711579688.db2.gz VPDSXVTYXYENCB-BDAKNGLRSA-N 1 2 240.303 0.821 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1F ZINC000934565202 711594189 /nfs/dbraw/zinc/59/41/89/711594189.db2.gz IWMYNOGHQIKKCP-IWSPIJDZSA-N 1 2 239.237 0.815 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1F ZINC000934565202 711594190 /nfs/dbraw/zinc/59/41/90/711594190.db2.gz IWMYNOGHQIKKCP-IWSPIJDZSA-N 1 2 239.237 0.815 20 0 BCADLO CCOCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724735920 711610114 /nfs/dbraw/zinc/61/01/14/711610114.db2.gz VHBGBYIGCRPBEB-SSDOTTSWSA-N 1 2 224.251 0.512 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=S)NC1CC1 ZINC000136029622 711681302 /nfs/dbraw/zinc/68/13/02/711681302.db2.gz BOLFIURLGHXLME-SECBINFHSA-N 1 2 243.376 0.334 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1C/C=C\Cl ZINC000388619726 711734473 /nfs/dbraw/zinc/73/44/73/711734473.db2.gz GSAZJNWUYNIXIT-LTMVXPGCSA-N 1 2 202.685 0.949 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1C/C=C\Cl ZINC000388619726 711734474 /nfs/dbraw/zinc/73/44/74/711734474.db2.gz GSAZJNWUYNIXIT-LTMVXPGCSA-N 1 2 202.685 0.949 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)CC2CCC2)C1 ZINC001042574422 711785657 /nfs/dbraw/zinc/78/56/57/711785657.db2.gz PIGHAMOSJWFOTJ-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034833052 712094748 /nfs/dbraw/zinc/09/47/48/712094748.db2.gz CFKSQANYAJYOKJ-SNVBAGLBSA-N 1 2 240.332 0.639 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000711023941 712274809 /nfs/dbraw/zinc/27/48/09/712274809.db2.gz FMZMMYIMXLOJCD-JTQLQIEISA-N 1 2 225.292 0.661 20 0 BCADLO Cc1nc(N2C[C@@H]3CSC[C@@H]3C2)nc(N)[nH+]1 ZINC000711544832 712310260 /nfs/dbraw/zinc/31/02/60/712310260.db2.gz MCXQAWAGEYUYGB-OCAPTIKFSA-N 1 2 237.332 0.561 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)no1 ZINC000711783955 712330008 /nfs/dbraw/zinc/33/00/08/712330008.db2.gz JPJVGCQMIYLRLC-XCBNKYQSSA-N 1 2 244.316 0.506 20 0 BCADLO COCC[N@H+](C)Cn1cc[nH]c1=S ZINC000379398352 712381999 /nfs/dbraw/zinc/38/19/99/712381999.db2.gz FOQQKDSRIBVJCW-UHFFFAOYSA-N 1 2 201.295 0.708 20 0 BCADLO COCC[N@@H+](C)Cn1cc[nH]c1=S ZINC000379398352 712382001 /nfs/dbraw/zinc/38/20/01/712382001.db2.gz FOQQKDSRIBVJCW-UHFFFAOYSA-N 1 2 201.295 0.708 20 0 BCADLO CO[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000379504944 712386744 /nfs/dbraw/zinc/38/67/44/712386744.db2.gz NIRRXTDUACHPJM-JGVFFNPUSA-N 1 2 209.236 0.771 20 0 BCADLO CCCn1cc(C[NH2+][C@@H](C)C(OC)OC)nn1 ZINC000714474558 712491298 /nfs/dbraw/zinc/49/12/98/712491298.db2.gz BEZLIZZFECPFKQ-VIFPVBQESA-N 1 2 242.323 0.785 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cn(C)nn1 ZINC000715856183 712537406 /nfs/dbraw/zinc/53/74/06/712537406.db2.gz ZHZGVHGKWBXGCN-RKDXNWHRSA-N 1 2 237.307 0.087 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715901106 712541102 /nfs/dbraw/zinc/54/11/02/712541102.db2.gz IRSSFBQQLGPVBK-BDAKNGLRSA-N 1 2 239.323 0.333 20 0 BCADLO CC1(CCNC(=O)Cn2cc[nH+]c2)OCCO1 ZINC000716016170 712546843 /nfs/dbraw/zinc/54/68/43/712546843.db2.gz AZKRSSYVEMLJEZ-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO c1snnc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719086268 712795951 /nfs/dbraw/zinc/79/59/51/712795951.db2.gz VZYBNQPIGXWOBX-MRVPVSSYSA-N 1 2 241.316 0.733 20 0 BCADLO c1snnc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719086268 712795953 /nfs/dbraw/zinc/79/59/53/712795953.db2.gz VZYBNQPIGXWOBX-MRVPVSSYSA-N 1 2 241.316 0.733 20 0 BCADLO CC(C)[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038679832 712883574 /nfs/dbraw/zinc/88/35/74/712883574.db2.gz OQJLOZBPYBFLNY-MRVPVSSYSA-N 1 2 240.282 0.761 20 0 BCADLO CC(C)[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038679832 712883577 /nfs/dbraw/zinc/88/35/77/712883577.db2.gz OQJLOZBPYBFLNY-MRVPVSSYSA-N 1 2 240.282 0.761 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001037996834 712897668 /nfs/dbraw/zinc/89/76/68/712897668.db2.gz MOUAWEPSOIKIGU-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001037996834 712897669 /nfs/dbraw/zinc/89/76/69/712897669.db2.gz MOUAWEPSOIKIGU-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001038001045 712897730 /nfs/dbraw/zinc/89/77/30/712897730.db2.gz FNSDLLFUAHXEGS-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001038001045 712897731 /nfs/dbraw/zinc/89/77/31/712897731.db2.gz FNSDLLFUAHXEGS-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038445136 710686803 /nfs/dbraw/zinc/68/68/03/710686803.db2.gz GDVFZSCSVYEWIB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038445136 710686805 /nfs/dbraw/zinc/68/68/05/710686805.db2.gz GDVFZSCSVYEWIB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038445136 710686807 /nfs/dbraw/zinc/68/68/07/710686807.db2.gz GDVFZSCSVYEWIB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038445136 710686810 /nfs/dbraw/zinc/68/68/10/710686810.db2.gz GDVFZSCSVYEWIB-SNVBAGLBSA-N 1 2 249.318 0.575 20 0 BCADLO CC(C)[N@@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038843149 710709486 /nfs/dbraw/zinc/70/94/86/710709486.db2.gz YSCOVRMEEYKHDA-MRVPVSSYSA-N 1 2 223.280 0.017 20 0 BCADLO CC(C)[N@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038843149 710709488 /nfs/dbraw/zinc/70/94/88/710709488.db2.gz YSCOVRMEEYKHDA-MRVPVSSYSA-N 1 2 223.280 0.017 20 0 BCADLO CN(C(=O)C(F)F)C1C[NH+](CCCF)C1 ZINC001042392102 710777693 /nfs/dbraw/zinc/77/76/93/710777693.db2.gz VLZOAOGFWYXYER-UHFFFAOYSA-N 1 2 224.226 0.754 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cncnc2C)C1 ZINC001042498818 710788496 /nfs/dbraw/zinc/78/84/96/710788496.db2.gz OCMBDEWNWBVUCP-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394790 710779277 /nfs/dbraw/zinc/77/92/77/710779277.db2.gz BVHDNFUBCIHIAR-SSDOTTSWSA-N 1 2 236.262 0.429 20 0 BCADLO COC[C@H](C)[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394791 710779388 /nfs/dbraw/zinc/77/93/88/710779388.db2.gz BVHDNFUBCIHIAR-ZETCQYMHSA-N 1 2 236.262 0.429 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C2CC2)C1 ZINC001042395386 710779674 /nfs/dbraw/zinc/77/96/74/710779674.db2.gz BQOOYQPBLWRHPJ-UHFFFAOYSA-N 1 2 212.293 0.185 20 0 BCADLO Cc1cccc(C(=O)N(C)C2C[NH+](CCO)C2)c1 ZINC001042439663 710782487 /nfs/dbraw/zinc/78/24/87/710782487.db2.gz BNKJMKBPOJPORZ-UHFFFAOYSA-N 1 2 248.326 0.744 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001042444009 710784824 /nfs/dbraw/zinc/78/48/24/710784824.db2.gz UZCUEQASDZNMNF-UHFFFAOYSA-N 1 2 235.287 0.096 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC001042451527 710785004 /nfs/dbraw/zinc/78/50/04/710785004.db2.gz COGUUYNIBACCNM-UHFFFAOYSA-N 1 2 223.276 0.759 20 0 BCADLO CN(C(=O)C1CC=CC1)C1C[NH+](CCO)C1 ZINC001042562943 710792747 /nfs/dbraw/zinc/79/27/47/710792747.db2.gz VYCOYXWHMGDKPY-UHFFFAOYSA-N 1 2 224.304 0.088 20 0 BCADLO C[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)C1CC1 ZINC001042582103 710793262 /nfs/dbraw/zinc/79/32/62/710793262.db2.gz YJCSRPYZUCWUNE-SECBINFHSA-N 1 2 226.320 0.167 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001042580953 710793461 /nfs/dbraw/zinc/79/34/61/710793461.db2.gz KPNRZQBYZIMTJZ-JTQLQIEISA-N 1 2 240.347 0.822 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC001042625620 710795638 /nfs/dbraw/zinc/79/56/38/710795638.db2.gz KNHCBNVBRANGPZ-LLVKDONJSA-N 1 2 240.347 0.822 20 0 BCADLO Cc1cc[nH]c1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042673376 710796577 /nfs/dbraw/zinc/79/65/77/710796577.db2.gz KEFCSKZLFBTROB-UHFFFAOYSA-N 1 2 237.303 0.072 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2n[nH]c3c2CCC3)C1 ZINC001043203751 710804455 /nfs/dbraw/zinc/80/44/55/710804455.db2.gz SHOPAUGCSULVMG-UHFFFAOYSA-N 1 2 248.330 0.675 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043998343 710816483 /nfs/dbraw/zinc/81/64/83/710816483.db2.gz DTKOLIAJELKNQU-GHMZBOCLSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043998344 710816684 /nfs/dbraw/zinc/81/66/84/710816684.db2.gz DTKOLIAJELKNQU-MNOVXSKESA-N 1 2 240.347 0.558 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2cnns2)C1 ZINC001046091361 710846604 /nfs/dbraw/zinc/84/66/04/710846604.db2.gz OBCVUJGKMXJNJV-SNVBAGLBSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2cnns2)C1 ZINC001046091361 710846608 /nfs/dbraw/zinc/84/66/08/710846608.db2.gz OBCVUJGKMXJNJV-SNVBAGLBSA-N 1 2 240.332 0.639 20 0 BCADLO C[C@]1(NC(=O)c2cnco2)CC[N@H+](CCF)C1 ZINC001046522762 710860957 /nfs/dbraw/zinc/86/09/57/710860957.db2.gz MXXVSOSHHIZXKY-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO C[C@]1(NC(=O)c2cnco2)CC[N@@H+](CCF)C1 ZINC001046522762 710860963 /nfs/dbraw/zinc/86/09/63/710860963.db2.gz MXXVSOSHHIZXKY-NSHDSACASA-N 1 2 241.266 0.838 20 0 BCADLO C[C@@]1(NC(=O)c2cnco2)CC[N@H+](CCF)C1 ZINC001046522761 710860999 /nfs/dbraw/zinc/86/09/99/710860999.db2.gz MXXVSOSHHIZXKY-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO C[C@@]1(NC(=O)c2cnco2)CC[N@@H+](CCF)C1 ZINC001046522761 710861003 /nfs/dbraw/zinc/86/10/03/710861003.db2.gz MXXVSOSHHIZXKY-LLVKDONJSA-N 1 2 241.266 0.838 20 0 BCADLO C[C@H]1CNC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902155129 710879951 /nfs/dbraw/zinc/87/99/51/710879951.db2.gz WYKZVMUPXKRPTO-ZETCQYMHSA-N 1 2 234.259 0.352 20 0 BCADLO COC1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000383761466 710903872 /nfs/dbraw/zinc/90/38/72/710903872.db2.gz LOYKELMTFWWEAB-ZDUSSCGKSA-N 1 2 232.283 0.922 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)CC(C)C)CCO2 ZINC001053129650 710920058 /nfs/dbraw/zinc/92/00/58/710920058.db2.gz HFOOPCRYUOQZOH-UHFFFAOYSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)=CC[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053708464 710921258 /nfs/dbraw/zinc/92/12/58/710921258.db2.gz DBBCGZFCLJEGPJ-GFCCVEGCSA-N 1 2 238.331 0.932 20 0 BCADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC1 ZINC001050781301 710954763 /nfs/dbraw/zinc/95/47/63/710954763.db2.gz QWHDYGNUFBXVQY-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC1 ZINC001050781301 710954766 /nfs/dbraw/zinc/95/47/66/710954766.db2.gz QWHDYGNUFBXVQY-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H](C)F ZINC001050782542 710954834 /nfs/dbraw/zinc/95/48/34/710954834.db2.gz PMYGWFQPXXKOCZ-MWLCHTKSSA-N 1 2 232.299 0.571 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H](C)F ZINC001050782542 710954839 /nfs/dbraw/zinc/95/48/39/710954839.db2.gz PMYGWFQPXXKOCZ-MWLCHTKSSA-N 1 2 232.299 0.571 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051067663 710955526 /nfs/dbraw/zinc/95/55/26/710955526.db2.gz TXEQHIWRXFSPPU-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051067663 710955527 /nfs/dbraw/zinc/95/55/27/710955527.db2.gz TXEQHIWRXFSPPU-DCAQKATOSA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050874668 710955911 /nfs/dbraw/zinc/95/59/11/710955911.db2.gz RKHVLZRUMDFCCG-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050874668 710955917 /nfs/dbraw/zinc/95/59/17/710955917.db2.gz RKHVLZRUMDFCCG-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051070569 710956059 /nfs/dbraw/zinc/95/60/59/710956059.db2.gz TXEQHIWRXFSPPU-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051070569 710956063 /nfs/dbraw/zinc/95/60/63/710956063.db2.gz TXEQHIWRXFSPPU-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000384902710 710999668 /nfs/dbraw/zinc/99/96/68/710999668.db2.gz XAUPHSGUFRTDLP-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000384902710 710999670 /nfs/dbraw/zinc/99/96/70/710999670.db2.gz XAUPHSGUFRTDLP-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO CC[NH+]1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC000386102477 711022530 /nfs/dbraw/zinc/02/25/30/711022530.db2.gz RMAYOWJETRSWIB-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387910102 711048694 /nfs/dbraw/zinc/04/86/94/711048694.db2.gz WODWBDIATNOWAH-SECBINFHSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387910102 711048700 /nfs/dbraw/zinc/04/87/00/711048700.db2.gz WODWBDIATNOWAH-SECBINFHSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1c[nH+]cc1CNc1nc(N)nc2nc[nH]c21 ZINC000388457852 711060895 /nfs/dbraw/zinc/06/08/95/711060895.db2.gz ZVVPGQBACNGXHJ-UHFFFAOYSA-N 1 2 244.262 0.063 20 0 BCADLO COC[C@@H](O)CNc1cc[nH+]cc1F ZINC000389210131 711073214 /nfs/dbraw/zinc/07/32/14/711073214.db2.gz AAJFVABNJIGVLL-ZETCQYMHSA-N 1 2 200.213 0.062 20 0 BCADLO CCCNc1cc(NCc2cn(C)nn2)nc[nH+]1 ZINC000389882980 711095011 /nfs/dbraw/zinc/09/50/11/711095011.db2.gz PKUCTDDQWWWTAZ-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO CCCNc1cc(NCc2cn(C)nn2)[nH+]cn1 ZINC000389882980 711095016 /nfs/dbraw/zinc/09/50/16/711095016.db2.gz PKUCTDDQWWWTAZ-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO COCCN1CC[C@H]([NH2+][C@@H](C)C(F)F)C1 ZINC000389914777 711097359 /nfs/dbraw/zinc/09/73/59/711097359.db2.gz MHWSRKBZSJLPHU-IUCAKERBSA-N 1 2 222.279 0.950 20 0 BCADLO CCOC(=O)/C=C\C[N@H+](C)CC(=O)N(C)C ZINC000390070639 711104614 /nfs/dbraw/zinc/10/46/14/711104614.db2.gz JXEPEAJLQBMNCN-SREVYHEPSA-N 1 2 228.292 0.126 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+](C)CC(=O)N(C)C ZINC000390070639 711104616 /nfs/dbraw/zinc/10/46/16/711104616.db2.gz JXEPEAJLQBMNCN-SREVYHEPSA-N 1 2 228.292 0.126 20 0 BCADLO CON(C)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000390235269 711110351 /nfs/dbraw/zinc/11/03/51/711110351.db2.gz FTMZNRVEINRTDD-UHFFFAOYSA-N 1 2 242.304 0.309 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1ncccn1)C(N)=O ZINC000390759712 711133840 /nfs/dbraw/zinc/13/38/40/711133840.db2.gz LIXCKCZLJFFSIU-WPRPVWTQSA-N 1 2 222.292 0.466 20 0 BCADLO CO[C@H](C[NH2+]Cc1cnn(C)n1)C(F)(F)F ZINC000393148166 711155089 /nfs/dbraw/zinc/15/50/89/711155089.db2.gz JIWCXURJTADYOU-SSDOTTSWSA-N 1 2 238.213 0.482 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cnn(C)c1Cl ZINC000393482942 711160036 /nfs/dbraw/zinc/16/00/36/711160036.db2.gz PAXRXYIMJJDXSS-UHFFFAOYSA-N 1 2 230.699 0.299 20 0 BCADLO Cn1c(Cl)cnc1C[NH2+]C[C@@H]1COCCN1 ZINC000393616387 711166608 /nfs/dbraw/zinc/16/66/08/711166608.db2.gz GVLITMCMPOOTEU-MRVPVSSYSA-N 1 2 244.726 0.152 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC(F)F ZINC000393707826 711170961 /nfs/dbraw/zinc/17/09/61/711170961.db2.gz HKCDJXQLAOBRSX-UHFFFAOYSA-N 1 2 215.203 0.875 20 0 BCADLO C/C=C/C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394697575 711196946 /nfs/dbraw/zinc/19/69/46/711196946.db2.gz DCCLVGVGWZBAJM-FWEMWIAWSA-N 1 2 223.320 0.069 20 0 BCADLO C/C=C/C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394697575 711196948 /nfs/dbraw/zinc/19/69/48/711196948.db2.gz DCCLVGVGWZBAJM-FWEMWIAWSA-N 1 2 223.320 0.069 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H](O)c1ccco1 ZINC000725884278 711200987 /nfs/dbraw/zinc/20/09/87/711200987.db2.gz PJJWOFCSBIFWAQ-SNVBAGLBSA-N 1 2 249.270 0.716 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1CCC2(C1)OCCO2 ZINC000396591723 711359275 /nfs/dbraw/zinc/35/92/75/711359275.db2.gz METBJOKORLGDSC-ONEGZZNKSA-N 1 2 241.287 0.555 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1CCC2(C1)OCCO2 ZINC000396591723 711359277 /nfs/dbraw/zinc/35/92/77/711359277.db2.gz METBJOKORLGDSC-ONEGZZNKSA-N 1 2 241.287 0.555 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCCc3c2cnn3C)n1 ZINC000380905717 710594682 /nfs/dbraw/zinc/59/46/82/710594682.db2.gz QHLALNFCYKXFDJ-NSHDSACASA-N 1 2 246.318 0.716 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)[C@H](C)CO1 ZINC000724771373 710745633 /nfs/dbraw/zinc/74/56/33/710745633.db2.gz KJMQMKYUEVIDOR-PRJMDXOYSA-N 1 2 236.262 0.605 20 0 BCADLO CN(C(=O)C(C)(C)F)C1C[NH+](CCCO)C1 ZINC001042404685 710780466 /nfs/dbraw/zinc/78/04/66/710780466.db2.gz AILOKXKKEREVOA-UHFFFAOYSA-N 1 2 232.299 0.260 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnc(OC)c2)C1 ZINC001043195164 710803731 /nfs/dbraw/zinc/80/37/31/710803731.db2.gz ZBGAHNFHSHFSNN-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnco2)C1 ZINC001043496525 710806548 /nfs/dbraw/zinc/80/65/48/710806548.db2.gz OTCWXGSUNYLEMJ-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1CNC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902155128 710879241 /nfs/dbraw/zinc/87/92/41/710879241.db2.gz WYKZVMUPXKRPTO-SSDOTTSWSA-N 1 2 234.259 0.352 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001050777242 710954159 /nfs/dbraw/zinc/95/41/59/710954159.db2.gz YFANDKQLZCDCDH-SNVBAGLBSA-N 1 2 218.272 0.183 20 0 BCADLO CC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001050777242 710954154 /nfs/dbraw/zinc/95/41/54/710954154.db2.gz YFANDKQLZCDCDH-SNVBAGLBSA-N 1 2 218.272 0.183 20 0 BCADLO CC(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001071359751 711190126 /nfs/dbraw/zinc/19/01/26/711190126.db2.gz ZSOMQTZOEYDDNH-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001071359751 711190127 /nfs/dbraw/zinc/19/01/27/711190127.db2.gz ZSOMQTZOEYDDNH-VHSXEESVSA-N 1 2 241.335 0.097 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cc(C)no1 ZINC000397538155 711385771 /nfs/dbraw/zinc/38/57/71/711385771.db2.gz SIYKTYZVHXWCAG-UHFFFAOYSA-N 1 2 213.237 0.092 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000397551421 711386513 /nfs/dbraw/zinc/38/65/13/711386513.db2.gz ZZTJMLYFDAHHDL-UHFFFAOYSA-N 1 2 246.698 0.183 20 0 BCADLO CC(C)(C)c1coc(C[NH2+]C(CO)CO)n1 ZINC000724381455 711577803 /nfs/dbraw/zinc/57/78/03/711577803.db2.gz NAZKGNLIVOWQNU-UHFFFAOYSA-N 1 2 228.292 0.415 20 0 BCADLO [NH3+][C@@H](CC(=O)N1CCSCC1)C(F)F ZINC000724730765 711610275 /nfs/dbraw/zinc/61/02/75/711610275.db2.gz VQBHESKZICIKEM-LURJTMIESA-N 1 2 224.276 0.544 20 0 BCADLO CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000724771553 711611197 /nfs/dbraw/zinc/61/11/97/711611197.db2.gz MCLYQGSBGKSLML-HTQZYQBOSA-N 1 2 236.262 0.606 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cocn1 ZINC000724863142 711621831 /nfs/dbraw/zinc/62/18/31/711621831.db2.gz LQFJUJCYQBGVGZ-NXEZZACHSA-N 1 2 212.249 0.568 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CC12CC(O)C2 ZINC000724930483 711629804 /nfs/dbraw/zinc/62/98/04/711629804.db2.gz JVNUWRNWRADRNU-KKOGVWMFSA-N 1 2 236.275 0.393 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CC12CC(O)C2 ZINC000724930483 711629806 /nfs/dbraw/zinc/62/98/06/711629806.db2.gz JVNUWRNWRADRNU-KKOGVWMFSA-N 1 2 236.275 0.393 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCO[C@H]1CCOC1)C(C)C ZINC000724929640 711629865 /nfs/dbraw/zinc/62/98/65/711629865.db2.gz CIITXWNQBQRAPS-QWRGUYRKSA-N 1 2 245.319 0.579 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCO[C@H]1CCOC1 ZINC000724959808 711634555 /nfs/dbraw/zinc/63/45/55/711634555.db2.gz KVMIUAFJBDTBJE-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCO[C@H]1CCOC1 ZINC000724959808 711634558 /nfs/dbraw/zinc/63/45/58/711634558.db2.gz KVMIUAFJBDTBJE-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc[nH]c1 ZINC000782280216 711653738 /nfs/dbraw/zinc/65/37/38/711653738.db2.gz JLWZTZUNDLHZQI-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO Cn1nnc(C[NH2+]C[C@H](O)c2ccccc2)n1 ZINC000236097541 711671108 /nfs/dbraw/zinc/67/11/08/711671108.db2.gz UEDQYXWBNGRJGL-JTQLQIEISA-N 1 2 233.275 0.033 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000719637627 711672934 /nfs/dbraw/zinc/67/29/34/711672934.db2.gz SIARHZBKWTUAKJ-ZJUUUORDSA-N 1 2 223.324 0.480 20 0 BCADLO C[C@@H](Nc1cc[nH+]cc1F)c1nncn1C ZINC000393776038 711678065 /nfs/dbraw/zinc/67/80/65/711678065.db2.gz XRKMPHHBMSXINB-SSDOTTSWSA-N 1 2 221.239 0.944 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461072 711717731 /nfs/dbraw/zinc/71/77/31/711717731.db2.gz QGYPRKQRYYDKLL-IONNQARKSA-N 1 2 248.286 0.134 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461072 711717734 /nfs/dbraw/zinc/71/77/34/711717734.db2.gz QGYPRKQRYYDKLL-IONNQARKSA-N 1 2 248.286 0.134 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N2CCCC2)c1 ZINC000313447251 711726529 /nfs/dbraw/zinc/72/65/29/711726529.db2.gz SGDWFWLCDFKWHI-UHFFFAOYSA-N 1 2 222.292 0.768 20 0 BCADLO CC1(C)CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893582489 711740135 /nfs/dbraw/zinc/74/01/35/711740135.db2.gz UBRXWJAKBLNDNC-JTQLQIEISA-N 1 2 232.287 0.936 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ocnc1C ZINC000894853742 711772679 /nfs/dbraw/zinc/77/26/79/711772679.db2.gz XOCYBHXKVGYOQH-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ocnc1C ZINC000894853742 711772680 /nfs/dbraw/zinc/77/26/80/711772680.db2.gz XOCYBHXKVGYOQH-UHFFFAOYSA-N 1 2 211.265 0.680 20 0 BCADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000928536015 711776948 /nfs/dbraw/zinc/77/69/48/711776948.db2.gz QCVQALKHYBRPGD-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000895318483 711780720 /nfs/dbraw/zinc/78/07/20/711780720.db2.gz SUIYAHKCCPFPJO-MRVPVSSYSA-N 1 2 208.265 0.024 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001042518321 711781439 /nfs/dbraw/zinc/78/14/39/711781439.db2.gz VGXVZOGQRJBJLE-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C2(C)CC2)C1 ZINC001042762572 711801088 /nfs/dbraw/zinc/80/10/88/711801088.db2.gz KCDDVZZMNSXKIC-VIFPVBQESA-N 1 2 226.320 0.310 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898507219 711801865 /nfs/dbraw/zinc/80/18/65/711801865.db2.gz MNXKZOJCPWRVDC-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(COC1CC1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898507219 711801866 /nfs/dbraw/zinc/80/18/66/711801866.db2.gz MNXKZOJCPWRVDC-SNVBAGLBSA-N 1 2 244.310 0.716 20 0 BCADLO CC(C)=CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913476414 711822532 /nfs/dbraw/zinc/82/25/32/711822532.db2.gz XJLITMXSCALEBU-LBPRGKRZSA-N 1 2 248.330 0.859 20 0 BCADLO CCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913476369 711822676 /nfs/dbraw/zinc/82/26/76/711822676.db2.gz XGMLMDOBQLLPCV-NSHDSACASA-N 1 2 236.319 0.693 20 0 BCADLO CC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001030037838 711825789 /nfs/dbraw/zinc/82/57/89/711825789.db2.gz BRJGQKTVCCFAKF-LDYMZIIASA-N 1 2 212.293 0.374 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030104865 711826504 /nfs/dbraw/zinc/82/65/04/711826504.db2.gz SZZHCMFBMDKUJD-VIFPVBQESA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030798731 711843280 /nfs/dbraw/zinc/84/32/80/711843280.db2.gz WAQXRUIWWWGOJB-SECBINFHSA-N 1 2 226.320 0.358 20 0 BCADLO Cc1c[nH][nH]c1=NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000487643790 711854922 /nfs/dbraw/zinc/85/49/22/711854922.db2.gz RGNILRFXXMVJGP-VIFPVBQESA-N 1 2 245.286 0.538 20 0 BCADLO Cc1nc(C(=O)NCC2C[NH+](CCF)C2)co1 ZINC001031628783 711880020 /nfs/dbraw/zinc/88/00/20/711880020.db2.gz YDXGZOPRYIJAKG-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1nncn1C ZINC000382472278 711897862 /nfs/dbraw/zinc/89/78/62/711897862.db2.gz FMLFKTIIMRQNMG-RDOCRHDPSA-N 1 2 238.291 0.585 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2cnn(C)c2)C1 ZINC000084376794 711924866 /nfs/dbraw/zinc/92/48/66/711924866.db2.gz CXHJCNMXPAUCIU-UHFFFAOYSA-N 1 2 209.293 0.623 20 0 BCADLO CC(=O)N1C[C@H]([NH2+]Cc2csnn2)[C@@H](C)C1 ZINC001054300402 711945592 /nfs/dbraw/zinc/94/55/92/711945592.db2.gz DKXLBSQDSUSZNO-XVKPBYJWSA-N 1 2 240.332 0.495 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCOC1 ZINC000357898322 711952043 /nfs/dbraw/zinc/95/20/43/711952043.db2.gz YBRSLEZVLYOMDO-QMMMGPOBSA-N 1 2 224.264 0.008 20 0 BCADLO CN(C(=O)c1ccon1)[C@@H]1CC[N@H+](CCF)C1 ZINC001032934044 711968549 /nfs/dbraw/zinc/96/85/49/711968549.db2.gz KKZUNBHSRVXVIQ-SECBINFHSA-N 1 2 241.266 0.790 20 0 BCADLO CN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032934044 711968552 /nfs/dbraw/zinc/96/85/52/711968552.db2.gz KKZUNBHSRVXVIQ-SECBINFHSA-N 1 2 241.266 0.790 20 0 BCADLO CN(C(=O)C(C)(C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033604003 712007455 /nfs/dbraw/zinc/00/74/55/712007455.db2.gz QRNCTUCCHZIXOX-VIFPVBQESA-N 1 2 241.335 0.051 20 0 BCADLO CN(C(=O)C(C)(C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033604003 712007456 /nfs/dbraw/zinc/00/74/56/712007456.db2.gz QRNCTUCCHZIXOX-VIFPVBQESA-N 1 2 241.335 0.051 20 0 BCADLO CNc1cc(NC2CCN(C(C)=O)CC2)[nH+]cn1 ZINC000701593351 712026122 /nfs/dbraw/zinc/02/61/22/712026122.db2.gz VWHGAPJZNGMDSC-UHFFFAOYSA-N 1 2 249.318 0.941 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365605261 712033361 /nfs/dbraw/zinc/03/33/61/712033361.db2.gz XGNBJWRHXYDHEQ-VHSXEESVSA-N 1 2 237.303 0.507 20 0 BCADLO CCc1cnc(C[NH2+][C@H]2CNOC2)s1 ZINC000703361847 712073048 /nfs/dbraw/zinc/07/30/48/712073048.db2.gz DYXIXZKEXDKUFE-ZETCQYMHSA-N 1 2 213.306 0.699 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)o1 ZINC000703916598 712094223 /nfs/dbraw/zinc/09/42/23/712094223.db2.gz IXTWPWBOQHDQPA-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)o1 ZINC000703916598 712094225 /nfs/dbraw/zinc/09/42/25/712094225.db2.gz IXTWPWBOQHDQPA-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)o1 ZINC000703916597 712094412 /nfs/dbraw/zinc/09/44/12/712094412.db2.gz IXTWPWBOQHDQPA-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)o1 ZINC000703916597 712094415 /nfs/dbraw/zinc/09/44/15/712094415.db2.gz IXTWPWBOQHDQPA-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1nc(NC[C@@H]2COCC[N@H+]2C)cc(=O)[nH]1 ZINC000704051007 712098949 /nfs/dbraw/zinc/09/89/49/712098949.db2.gz ZAKRBZURLAWYFD-SECBINFHSA-N 1 2 238.291 0.233 20 0 BCADLO Cc1nc(NC[C@@H]2COCC[N@@H+]2C)cc(=O)[nH]1 ZINC000704051007 712098950 /nfs/dbraw/zinc/09/89/50/712098950.db2.gz ZAKRBZURLAWYFD-SECBINFHSA-N 1 2 238.291 0.233 20 0 BCADLO COC[C@@H](C)OC(=O)NCCn1cc[nH+]c1 ZINC000704548268 712110322 /nfs/dbraw/zinc/11/03/22/712110322.db2.gz BBYBKUACNTYSAX-SECBINFHSA-N 1 2 227.264 0.644 20 0 BCADLO Cc1cocc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000705159789 712123270 /nfs/dbraw/zinc/12/32/70/712123270.db2.gz LFRMEXSGOZZGLL-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cc1cocc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000705159789 712123272 /nfs/dbraw/zinc/12/32/72/712123272.db2.gz LFRMEXSGOZZGLL-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000709066707 712207051 /nfs/dbraw/zinc/20/70/51/712207051.db2.gz NKSOAAUMTMOUHU-UHFFFAOYSA-N 1 2 245.348 0.551 20 0 BCADLO CCS(=O)(=O)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000709066707 712207054 /nfs/dbraw/zinc/20/70/54/712207054.db2.gz NKSOAAUMTMOUHU-UHFFFAOYSA-N 1 2 245.348 0.551 20 0 BCADLO CNc1cc(N(C)[C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000708506489 712211778 /nfs/dbraw/zinc/21/17/78/712211778.db2.gz MMLUSOZPJYXTBH-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N(C)[C@H]2CCN(C)C2=O)[nH+]cn1 ZINC000708506489 712211779 /nfs/dbraw/zinc/21/17/79/712211779.db2.gz MMLUSOZPJYXTBH-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CCCNC(=O)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000709968138 712235686 /nfs/dbraw/zinc/23/56/86/712235686.db2.gz HUCYCJKFBHFOMP-SECBINFHSA-N 1 2 224.308 0.597 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710006536 712239229 /nfs/dbraw/zinc/23/92/29/712239229.db2.gz MPNMPGRBAONSEQ-VIFPVBQESA-N 1 2 245.348 0.505 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710006533 712239330 /nfs/dbraw/zinc/23/93/30/712239330.db2.gz MPNMPGRBAONSEQ-SECBINFHSA-N 1 2 245.348 0.505 20 0 BCADLO CNc1cc(N[C@H]2COC[C@H]2C)nc[nH+]1 ZINC000710901061 712261971 /nfs/dbraw/zinc/26/19/71/712261971.db2.gz KOHZXCCJBBJVMU-SFYZADRCSA-N 1 2 208.265 0.965 20 0 BCADLO CNc1cc(N[C@H]2COC[C@H]2C)[nH+]cn1 ZINC000710901061 712261972 /nfs/dbraw/zinc/26/19/72/712261972.db2.gz KOHZXCCJBBJVMU-SFYZADRCSA-N 1 2 208.265 0.965 20 0 BCADLO O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000710916871 712263121 /nfs/dbraw/zinc/26/31/21/712263121.db2.gz TUFJGJAFEWMQGI-YUSALJHKSA-N 1 2 237.303 0.527 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1cocn1 ZINC000711007913 712274481 /nfs/dbraw/zinc/27/44/81/712274481.db2.gz ZWWBSHRUCLUDRF-SECBINFHSA-N 1 2 212.249 0.916 20 0 BCADLO COC1(OC)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000711032645 712275323 /nfs/dbraw/zinc/27/53/23/712275323.db2.gz ZZCQCTHDCNBQDL-VIFPVBQESA-N 1 2 225.292 0.661 20 0 BCADLO C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cccc[nH+]1 ZINC000711720724 712319833 /nfs/dbraw/zinc/31/98/33/712319833.db2.gz KCKKSISTRRFJSR-BDAKNGLRSA-N 1 2 226.301 0.927 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)C(=O)N(C)C ZINC000711799801 712331538 /nfs/dbraw/zinc/33/15/38/712331538.db2.gz LXAHSFFTVRWKJI-SECBINFHSA-N 1 2 236.319 0.784 20 0 BCADLO CN(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC000144018446 712356080 /nfs/dbraw/zinc/35/60/80/712356080.db2.gz NEGZCXYOKOGSGC-UHFFFAOYSA-N 1 2 208.265 0.379 20 0 BCADLO CN(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000144018446 712356082 /nfs/dbraw/zinc/35/60/82/712356082.db2.gz NEGZCXYOKOGSGC-UHFFFAOYSA-N 1 2 208.265 0.379 20 0 BCADLO C[NH+](C)CCONC(=O)c1ccc2[nH]nnc2c1 ZINC000379005954 712367940 /nfs/dbraw/zinc/36/79/40/712367940.db2.gz GAMCBAODGAFUME-UHFFFAOYSA-N 1 2 249.274 0.181 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC000712284317 712393660 /nfs/dbraw/zinc/39/36/60/712393660.db2.gz MPVBVFCMFZAUII-MRVPVSSYSA-N 1 2 221.260 0.221 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC000712284317 712393661 /nfs/dbraw/zinc/39/36/61/712393661.db2.gz MPVBVFCMFZAUII-MRVPVSSYSA-N 1 2 221.260 0.221 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cncc(O)c1 ZINC000712305023 712396214 /nfs/dbraw/zinc/39/62/14/712396214.db2.gz XZRRIYUZZYTRFW-VIFPVBQESA-N 1 2 221.260 0.221 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1cncc(O)c1 ZINC000712305023 712396215 /nfs/dbraw/zinc/39/62/15/712396215.db2.gz XZRRIYUZZYTRFW-VIFPVBQESA-N 1 2 221.260 0.221 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH]cn2)C1 ZINC000714246707 712480231 /nfs/dbraw/zinc/48/02/31/712480231.db2.gz VTRGVHUGJOQSHH-XWEPSHTISA-N 1 2 229.305 0.075 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C(C)C ZINC000715125026 712511134 /nfs/dbraw/zinc/51/11/34/712511134.db2.gz HIWVTJSGBILLGX-UWVGGRQHSA-N 1 2 245.319 0.925 20 0 BCADLO CCCn1cc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)nn1 ZINC000715897716 712541362 /nfs/dbraw/zinc/54/13/62/712541362.db2.gz RXAJQOLSIHUGPC-JMJZKYOTSA-N 1 2 240.307 0.098 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOC1CCC1 ZINC000812788598 712586703 /nfs/dbraw/zinc/58/67/03/712586703.db2.gz QMCZEBHCIHLSGN-UHFFFAOYSA-N 1 2 228.292 0.309 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](CO)CC1 ZINC000830377278 712595135 /nfs/dbraw/zinc/59/51/35/712595135.db2.gz LWVZGHZYPJYYED-MGCOHNPYSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H](O)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855057369 712614835 /nfs/dbraw/zinc/61/48/35/712614835.db2.gz USTGRPBFLXLUEE-MRVPVSSYSA-N 1 2 223.276 0.324 20 0 BCADLO O=C1CCN1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000857236980 712616336 /nfs/dbraw/zinc/61/63/36/712616336.db2.gz MVJWKTUDDZKYPD-JTQLQIEISA-N 1 2 235.291 0.105 20 0 BCADLO O=C1CCN1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000857236980 712616337 /nfs/dbraw/zinc/61/63/37/712616337.db2.gz MVJWKTUDDZKYPD-JTQLQIEISA-N 1 2 235.291 0.105 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)OCCF ZINC000858953652 712617378 /nfs/dbraw/zinc/61/73/78/712617378.db2.gz YNFAWRMWNMCUQS-SNVBAGLBSA-N 1 2 247.314 0.318 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](O)[C@@H](C)O ZINC000717387772 712653312 /nfs/dbraw/zinc/65/33/12/712653312.db2.gz UGTCLKFKBFJOFD-SFYZADRCSA-N 1 2 212.249 0.244 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CSC(=O)N1 ZINC000380162995 712703203 /nfs/dbraw/zinc/70/32/03/712703203.db2.gz CLXDBHAEZWNTQH-SSDOTTSWSA-N 1 2 240.288 0.159 20 0 BCADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142098 712713762 /nfs/dbraw/zinc/71/37/62/712713762.db2.gz KZCLBSHXUASKSP-UWVGGRQHSA-N 1 2 222.292 0.713 20 0 BCADLO O[C@@H](C[N@H+]1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142098 712713763 /nfs/dbraw/zinc/71/37/63/712713763.db2.gz KZCLBSHXUASKSP-UWVGGRQHSA-N 1 2 222.292 0.713 20 0 BCADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000037688748 712738847 /nfs/dbraw/zinc/73/88/47/712738847.db2.gz HWUHJOSEFWGKRY-IUCAKERBSA-N 1 2 203.282 0.545 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@]12C[C@H]1COC2 ZINC000718104980 712743711 /nfs/dbraw/zinc/74/37/11/712743711.db2.gz AXFXNOKQHZNJST-CPCISQLKSA-N 1 2 231.259 0.564 20 0 BCADLO Cc1coc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000718403837 712758895 /nfs/dbraw/zinc/75/88/95/712758895.db2.gz KSEVKAANMJJFAO-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cc1coc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000718403837 712758897 /nfs/dbraw/zinc/75/88/97/712758897.db2.gz KSEVKAANMJJFAO-SNVBAGLBSA-N 1 2 238.287 0.337 20 0 BCADLO Cn1cnc2c1ncnc2NCc1c[nH+]cn1C ZINC000720104551 712828437 /nfs/dbraw/zinc/82/84/37/712828437.db2.gz VIJSOXRBEPQPHH-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO Cc1conc1C[N@@H+](CCO)C[C@H](C)O ZINC000720363061 712835721 /nfs/dbraw/zinc/83/57/21/712835721.db2.gz KPIRTOIJEFFPOL-VIFPVBQESA-N 1 2 214.265 0.158 20 0 BCADLO Cc1conc1C[N@H+](CCO)C[C@H](C)O ZINC000720363061 712835724 /nfs/dbraw/zinc/83/57/24/712835724.db2.gz KPIRTOIJEFFPOL-VIFPVBQESA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)no1 ZINC000720401451 712839638 /nfs/dbraw/zinc/83/96/38/712839638.db2.gz ZIXUGWIYJWCOIQ-VIFPVBQESA-N 1 2 209.249 0.303 20 0 BCADLO CCS(=O)(=O)NCC[NH2+]Cc1cc(C)on1 ZINC000720419521 712841259 /nfs/dbraw/zinc/84/12/59/712841259.db2.gz IVJMQJKOAPMPES-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO CCOC(=O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720424411 712841711 /nfs/dbraw/zinc/84/17/11/712841711.db2.gz IDPFNOPYHFAHNK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCO[C@H](C)CC1 ZINC000720424411 712841712 /nfs/dbraw/zinc/84/17/12/712841712.db2.gz IDPFNOPYHFAHNK-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO Cc1nc(N2CCO[C@H](C)CC2)nc(N)[nH+]1 ZINC000720515851 712848382 /nfs/dbraw/zinc/84/83/82/712848382.db2.gz UXZYSVKMEFVQCH-SSDOTTSWSA-N 1 2 223.280 0.377 20 0 BCADLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cn(C)nn1 ZINC000720591986 712856115 /nfs/dbraw/zinc/85/61/15/712856115.db2.gz SSYBSBHAANNAOO-MRVPVSSYSA-N 1 2 240.307 0.617 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC2)cn1 ZINC001037981038 712896050 /nfs/dbraw/zinc/89/60/50/712896050.db2.gz PQXVXSPTHFGJON-GFCCVEGCSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC2)cn1 ZINC001037981038 712896051 /nfs/dbraw/zinc/89/60/51/712896051.db2.gz PQXVXSPTHFGJON-GFCCVEGCSA-N 1 2 248.330 0.521 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602064901 349437130 /nfs/dbraw/zinc/43/71/30/349437130.db2.gz ZONIKYFNJOOTMU-XLPZGREQSA-N 1 2 237.259 0.191 20 0 BCADLO COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602064901 349437132 /nfs/dbraw/zinc/43/71/32/349437132.db2.gz ZONIKYFNJOOTMU-XLPZGREQSA-N 1 2 237.259 0.191 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000084680518 136211605 /nfs/dbraw/zinc/21/16/05/136211605.db2.gz AIVSIVGSHUCIHH-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000084680518 136211606 /nfs/dbraw/zinc/21/16/06/136211606.db2.gz AIVSIVGSHUCIHH-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCOC1CN(Cc2[nH+]ccn2C)C1 ZINC000297363224 398144508 /nfs/dbraw/zinc/14/45/08/398144508.db2.gz FYLOBXBYTNYZGV-UHFFFAOYSA-N 1 2 239.319 0.657 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccc(=O)[nH]c1 ZINC000580268334 346812739 /nfs/dbraw/zinc/81/27/39/346812739.db2.gz FCMZTKUVNJUCRE-UHFFFAOYSA-N 1 2 232.243 0.300 20 0 BCADLO CC(C)n1cc(C(=O)NCc2c[nH+]c[nH]2)nn1 ZINC000340582706 398147564 /nfs/dbraw/zinc/14/75/64/398147564.db2.gz AMOUHGZTMUIGJC-UHFFFAOYSA-N 1 2 234.263 0.512 20 0 BCADLO CC(C)n1cc(C(=O)NCc2c[nH]c[nH+]2)nn1 ZINC000340582706 398147565 /nfs/dbraw/zinc/14/75/65/398147565.db2.gz AMOUHGZTMUIGJC-UHFFFAOYSA-N 1 2 234.263 0.512 20 0 BCADLO CCC(CC)([NH2+]CCCO)C(=O)OC ZINC000336654424 168330592 /nfs/dbraw/zinc/33/05/92/168330592.db2.gz MTRAZLQUYPBLFW-UHFFFAOYSA-N 1 2 203.282 0.690 20 0 BCADLO COC[C@@]1(C)C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000626176137 346816826 /nfs/dbraw/zinc/81/68/26/346816826.db2.gz GOZSRJJBTINKOA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@]1(C)C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000626176137 346816828 /nfs/dbraw/zinc/81/68/28/346816828.db2.gz GOZSRJJBTINKOA-CMPLNLGQSA-N 1 2 242.319 0.002 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC(F)(F)F ZINC000299678447 398151220 /nfs/dbraw/zinc/15/12/20/398151220.db2.gz SEHCZRFDIZKCCC-UHFFFAOYSA-N 1 2 221.182 0.952 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000299678884 398151690 /nfs/dbraw/zinc/15/16/90/398151690.db2.gz RCRFWXYPJACVRL-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H](CCO)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000649870837 398152502 /nfs/dbraw/zinc/15/25/02/398152502.db2.gz KWRMECSSPSYACM-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000649870837 398152504 /nfs/dbraw/zinc/15/25/04/398152504.db2.gz KWRMECSSPSYACM-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)on1 ZINC000299640103 178010405 /nfs/dbraw/zinc/01/04/05/178010405.db2.gz IIHFGADEQNHHEU-UHFFFAOYSA-N 1 2 234.259 0.886 20 0 BCADLO CC[C@H](F)C[N@H+](C)[C@@H](COC)C(N)=O ZINC000339356722 398155323 /nfs/dbraw/zinc/15/53/23/398155323.db2.gz BGQGULMWXFPGMA-YUMQZZPRSA-N 1 2 206.261 0.167 20 0 BCADLO CC[C@H](F)C[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339356722 398155324 /nfs/dbraw/zinc/15/53/24/398155324.db2.gz BGQGULMWXFPGMA-YUMQZZPRSA-N 1 2 206.261 0.167 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H](C)CCO)[nH]1 ZINC000649869503 398155927 /nfs/dbraw/zinc/15/59/27/398155927.db2.gz FQSAOVSAJQRFHI-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H](C)CCO)[nH]1 ZINC000649869503 398155930 /nfs/dbraw/zinc/15/59/30/398155930.db2.gz FQSAOVSAJQRFHI-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NC2CC2)no1 ZINC000044296686 178018703 /nfs/dbraw/zinc/01/87/03/178018703.db2.gz RCZXUTHCMRTUHR-UHFFFAOYSA-N 1 2 209.249 0.351 20 0 BCADLO Cc1cc(C[NH2+]CN2CCC(=O)CC2)n(C)n1 ZINC000284450000 178022193 /nfs/dbraw/zinc/02/21/93/178022193.db2.gz UGKRBUDBAFKPAZ-UHFFFAOYSA-N 1 2 236.319 0.441 20 0 BCADLO CC(=O)NC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000527510411 398170078 /nfs/dbraw/zinc/17/00/78/398170078.db2.gz MXPZEINCNFDDIU-SNVBAGLBSA-N 1 2 230.283 0.325 20 0 BCADLO CC(=O)NC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000527510411 398170082 /nfs/dbraw/zinc/17/00/82/398170082.db2.gz MXPZEINCNFDDIU-SNVBAGLBSA-N 1 2 230.283 0.325 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)no1 ZINC000193603772 178030457 /nfs/dbraw/zinc/03/04/57/178030457.db2.gz WRFDUIFUMJQJFU-XCBNKYQSSA-N 1 2 223.276 0.597 20 0 BCADLO CC1(C)NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000045736530 398182264 /nfs/dbraw/zinc/18/22/64/398182264.db2.gz USNUJZRMQSHBOW-UHFFFAOYSA-N 1 2 222.248 0.214 20 0 BCADLO CC(=O)NCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000649883356 398162483 /nfs/dbraw/zinc/16/24/83/398162483.db2.gz QUJAHDFOMSIZQQ-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885119 398162982 /nfs/dbraw/zinc/16/29/82/398162982.db2.gz IQCHDFLWXOTTPB-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885119 398162984 /nfs/dbraw/zinc/16/29/84/398162984.db2.gz IQCHDFLWXOTTPB-MWLCHTKSSA-N 1 2 225.292 0.174 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000175068890 365527038 /nfs/dbraw/zinc/52/70/38/365527038.db2.gz ZFDCERWYIWOQLL-LLVKDONJSA-N 1 2 227.352 0.489 20 0 BCADLO Cc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000301251937 178114689 /nfs/dbraw/zinc/11/46/89/178114689.db2.gz JHXPLKFIHNCLCZ-MRVPVSSYSA-N 1 2 206.249 0.239 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290019 192027333 /nfs/dbraw/zinc/02/73/33/192027333.db2.gz DDOKRFUDCPAHLY-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290019 192027335 /nfs/dbraw/zinc/02/73/35/192027335.db2.gz DDOKRFUDCPAHLY-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC1(CO)CCC1 ZINC000184376584 192027351 /nfs/dbraw/zinc/02/73/51/192027351.db2.gz IRLQTJROLABZQI-UHFFFAOYSA-N 1 2 209.293 0.970 20 0 BCADLO Cc1cc(N(C)[C@@H]2COC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000286375562 178100548 /nfs/dbraw/zinc/10/05/48/178100548.db2.gz OBNBHSFBRNUVBD-GHMZBOCLSA-N 1 2 249.314 0.858 20 0 BCADLO Cc1cc(N(C)[C@@H](C)C[S@](C)=O)nc[nH+]1 ZINC000129633373 178100650 /nfs/dbraw/zinc/10/06/50/178100650.db2.gz HZVQJPGSMCQLGV-BJOHPYRUSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1cc(N(CCO)[C@H]2CCO[C@@H]2C)nc[nH+]1 ZINC000360270355 178101942 /nfs/dbraw/zinc/10/19/42/178101942.db2.gz ZBKIMALWMSYSKX-MNOVXSKESA-N 1 2 237.303 0.761 20 0 BCADLO COCCOCCOCc1[nH]cc[nH+]1 ZINC000090556244 398201597 /nfs/dbraw/zinc/20/15/97/398201597.db2.gz YNJMGHVGKARWDO-UHFFFAOYSA-N 1 2 200.238 0.589 20 0 BCADLO Cc1cc(N2C[C@H](C)[C@@H](CO)C2)nc[nH+]1 ZINC000357674466 178120962 /nfs/dbraw/zinc/12/09/62/178120962.db2.gz OEYLKARAZUZHRP-WCBMZHEXSA-N 1 2 207.277 0.850 20 0 BCADLO C[C@@H](O)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000162673816 538924256 /nfs/dbraw/zinc/92/42/56/538924256.db2.gz HDCIPZDVKYJXMI-RKDXNWHRSA-N 1 2 247.302 0.570 20 0 BCADLO Cc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000277311541 178122611 /nfs/dbraw/zinc/12/26/11/178122611.db2.gz CMOKZPNOPHJCNH-AOOOYVTPSA-N 1 2 235.287 0.204 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)NC2CC2)n1 ZINC000336750841 398203288 /nfs/dbraw/zinc/20/32/88/398203288.db2.gz UZFVWBKJGPBNBD-ZCFIWIBFSA-N 1 2 224.264 0.307 20 0 BCADLO COC1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000576314691 365562961 /nfs/dbraw/zinc/56/29/61/365562961.db2.gz ZBAQGUHONDABNQ-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO Cc1cc(NC(=O)CCCC(N)=O)cc[nH+]1 ZINC000279099934 178128734 /nfs/dbraw/zinc/12/87/34/178128734.db2.gz UTIFYGSIUYIJPM-UHFFFAOYSA-N 1 2 221.260 0.984 20 0 BCADLO Cc1cc(NC(=O)CN2CCOCC2=O)cc[nH+]1 ZINC000280206588 178130495 /nfs/dbraw/zinc/13/04/95/178130495.db2.gz VYFXPUPKVRGTNC-UHFFFAOYSA-N 1 2 249.270 0.187 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC1 ZINC000576287085 365552241 /nfs/dbraw/zinc/55/22/41/365552241.db2.gz DXNTVLYDAORVFX-WDEREUQCSA-N 1 2 234.303 0.981 20 0 BCADLO Cc1cc(NC(=O)N2CCNC(=O)C2)cc[nH+]1 ZINC000119145033 178137314 /nfs/dbraw/zinc/13/73/14/178137314.db2.gz ANIBBIJPNFUCTJ-UHFFFAOYSA-N 1 2 234.259 0.354 20 0 BCADLO Cc1cc(NC(=O)NC[C@H](C)O)cc[nH+]1 ZINC000179835001 178140276 /nfs/dbraw/zinc/14/02/76/178140276.db2.gz LPHKXPWEGJISPA-QMMMGPOBSA-N 1 2 209.249 0.892 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)cc[nH+]1 ZINC000120344631 178143033 /nfs/dbraw/zinc/14/30/33/178143033.db2.gz QWHRMVJXJLSAKD-MRVPVSSYSA-N 1 2 242.300 0.762 20 0 BCADLO Cc1cc(NC[C@@H](O)CO)nc(C2CC2)[nH+]1 ZINC000269122712 178164948 /nfs/dbraw/zinc/16/49/48/178164948.db2.gz FLCSJFDOLXQKTO-SECBINFHSA-N 1 2 223.276 0.428 20 0 BCADLO COC[C@](C)([NH2+]CC1(C)COC1)C(=O)OC ZINC000309423873 398209880 /nfs/dbraw/zinc/20/98/80/398209880.db2.gz AKQWYINPWNUSPU-NSHDSACASA-N 1 2 231.292 0.191 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCOC1)c1ncn(C)n1 ZINC000336758022 398211726 /nfs/dbraw/zinc/21/17/26/398211726.db2.gz KHAHHUDOGNCTNB-BDAKNGLRSA-N 1 2 210.281 0.645 20 0 BCADLO Cc1cc(NC[C@H](C)[NH+]2CCOCC2)ncn1 ZINC000301281561 178168258 /nfs/dbraw/zinc/16/82/58/178168258.db2.gz XWGOGODRVOKVII-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(NC[C@H](O)c2cnn(C)c2)nc[nH+]1 ZINC000301405532 178169097 /nfs/dbraw/zinc/16/90/97/178169097.db2.gz GJIYZDIFHLQTTA-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO Cc1cc(NC[C@H](O)CO)nc(C2CC2)[nH+]1 ZINC000269122714 178169188 /nfs/dbraw/zinc/16/91/88/178169188.db2.gz FLCSJFDOLXQKTO-VIFPVBQESA-N 1 2 223.276 0.428 20 0 BCADLO Cc1nc(N[C@@H]2CC23CCOCC3)nc(N)[nH+]1 ZINC000386863441 398221036 /nfs/dbraw/zinc/22/10/36/398221036.db2.gz FVTPSSLJHVMXSQ-MRVPVSSYSA-N 1 2 235.291 0.574 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CC23CCOCC3)[nH+]1 ZINC000386863441 398221038 /nfs/dbraw/zinc/22/10/38/398221038.db2.gz FVTPSSLJHVMXSQ-MRVPVSSYSA-N 1 2 235.291 0.574 20 0 BCADLO Cc1cc(NCc2cncnc2N)nc[nH+]1 ZINC000309280370 178174526 /nfs/dbraw/zinc/17/45/26/178174526.db2.gz NEKVCJDXJVRFTK-UHFFFAOYSA-N 1 2 216.248 0.769 20 0 BCADLO Cc1cc(NCc2nn[nH]n2)nc(C)[nH+]1 ZINC000044931637 178176211 /nfs/dbraw/zinc/17/62/11/178176211.db2.gz HLCKQHFGOQJWJT-UHFFFAOYSA-N 1 2 205.225 0.219 20 0 BCADLO Cc1cc(N[C@H]2CCCCNC2=O)nc[nH+]1 ZINC000301231655 178188724 /nfs/dbraw/zinc/18/87/24/178188724.db2.gz HZEQBRDAWKELRX-VIFPVBQESA-N 1 2 220.276 0.866 20 0 BCADLO Cc1cc(N[C@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000301482688 178187889 /nfs/dbraw/zinc/18/78/89/178187889.db2.gz FQWBRQNWNWUQGZ-VIFPVBQESA-N 1 2 232.287 0.960 20 0 BCADLO CO[C@@H](C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000425428601 398224431 /nfs/dbraw/zinc/22/44/31/398224431.db2.gz XGBWHUXWNGXNBZ-VIFPVBQESA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000425428601 398224433 /nfs/dbraw/zinc/22/44/33/398224433.db2.gz XGBWHUXWNGXNBZ-VIFPVBQESA-N 1 2 210.281 0.662 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC000516783642 259302063 /nfs/dbraw/zinc/30/20/63/259302063.db2.gz DLGLUEYFEXRBQO-KKZNHRDASA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)O ZINC000516783642 259302065 /nfs/dbraw/zinc/30/20/65/259302065.db2.gz DLGLUEYFEXRBQO-KKZNHRDASA-N 1 2 239.319 0.864 20 0 BCADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@H](C)O ZINC000387316036 398229668 /nfs/dbraw/zinc/22/96/68/398229668.db2.gz BWUWJYAQEAFVNW-CAHLUQPWSA-N 1 2 211.269 0.164 20 0 BCADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)[C@H](C)O ZINC000387316036 398229671 /nfs/dbraw/zinc/22/96/71/398229671.db2.gz BWUWJYAQEAFVNW-CAHLUQPWSA-N 1 2 211.269 0.164 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276384389 538932625 /nfs/dbraw/zinc/93/26/25/538932625.db2.gz DZIAXUHOFJEYQP-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276384389 538932626 /nfs/dbraw/zinc/93/26/26/538932626.db2.gz DZIAXUHOFJEYQP-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000073394586 343987005 /nfs/dbraw/zinc/98/70/05/343987005.db2.gz NWBAKIXDFRYQMO-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000073394586 343987006 /nfs/dbraw/zinc/98/70/06/343987006.db2.gz NWBAKIXDFRYQMO-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184146 136223863 /nfs/dbraw/zinc/22/38/63/136223863.db2.gz GNINWXMWVSVRFW-IUCAKERBSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184146 136223864 /nfs/dbraw/zinc/22/38/64/136223864.db2.gz GNINWXMWVSVRFW-IUCAKERBSA-N 1 2 232.349 0.503 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276513211 538933235 /nfs/dbraw/zinc/93/32/35/538933235.db2.gz BNCKYJKZEMDIDR-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276513211 538933236 /nfs/dbraw/zinc/93/32/36/538933236.db2.gz BNCKYJKZEMDIDR-ONGXEEELSA-N 1 2 239.319 0.866 20 0 BCADLO CCCCNC(=O)C[N@H+](CC)CC(=O)NCC ZINC000061783696 398235718 /nfs/dbraw/zinc/23/57/18/398235718.db2.gz OJXVUJRCNQJTNY-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC)CC(=O)NCC ZINC000061783696 398235720 /nfs/dbraw/zinc/23/57/20/398235720.db2.gz OJXVUJRCNQJTNY-UHFFFAOYSA-N 1 2 243.351 0.361 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC(F)(F)CO ZINC000281714409 538939279 /nfs/dbraw/zinc/93/92/79/538939279.db2.gz WSUAFRKSUJWXKS-UHFFFAOYSA-N 1 2 233.218 0.086 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC(F)(F)CO ZINC000281714409 538939281 /nfs/dbraw/zinc/93/92/81/538939281.db2.gz WSUAFRKSUJWXKS-UHFFFAOYSA-N 1 2 233.218 0.086 20 0 BCADLO COC1(C)CC[NH+](Cc2nncn2C)CC1 ZINC000576489006 365609136 /nfs/dbraw/zinc/60/91/36/365609136.db2.gz VPHHASRAJVVURG-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO O=C([O-])[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000126711139 323004212 /nfs/dbraw/zinc/00/42/12/323004212.db2.gz JJXAFCBPUXTNBV-SECBINFHSA-N 1 2 241.316 0.385 20 0 BCADLO O=C([O-])[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000126711139 323004213 /nfs/dbraw/zinc/00/42/13/323004213.db2.gz JJXAFCBPUXTNBV-SECBINFHSA-N 1 2 241.316 0.385 20 0 BCADLO CC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000356343174 398247424 /nfs/dbraw/zinc/24/74/24/398247424.db2.gz MJWBIMCWSMHQCO-UWVGGRQHSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1ncc(C(=O)NCc2c[nH+]cn2C)c(C)n1 ZINC000291277248 538947547 /nfs/dbraw/zinc/94/75/47/538947547.db2.gz QQSLPVMOZPRHGC-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1nn[nH]n1 ZINC000576680844 365655298 /nfs/dbraw/zinc/65/52/98/365655298.db2.gz DMGVQXKWWFPPLH-MRVPVSSYSA-N 1 2 249.278 0.054 20 0 BCADLO CCn1c(C)nnc1C[N@H+](CC)CCO ZINC000195070689 398256366 /nfs/dbraw/zinc/25/63/66/398256366.db2.gz HQHLELNZCOFYBA-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](CC)CCO ZINC000195070689 398256370 /nfs/dbraw/zinc/25/63/70/398256370.db2.gz HQHLELNZCOFYBA-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@@](C)(O)C1CC1 ZINC000291178602 538947604 /nfs/dbraw/zinc/94/76/04/538947604.db2.gz JOELOSMTRGECOV-GFCCVEGCSA-N 1 2 237.303 0.587 20 0 BCADLO CCCN1CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000291087462 538946675 /nfs/dbraw/zinc/94/66/75/538946675.db2.gz IWDWCZGKQKXGGI-UHFFFAOYSA-N 1 2 236.275 0.594 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000290946547 538946773 /nfs/dbraw/zinc/94/67/73/538946773.db2.gz ARGKHMKPLWHPMJ-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1n[nH]c2c1CCC2 ZINC000290945369 538947061 /nfs/dbraw/zinc/94/70/61/538947061.db2.gz APKYKVGATXGBCQ-UHFFFAOYSA-N 1 2 245.286 0.562 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CC(=O)N[C@H](C)C2)[nH+]1 ZINC000649459032 398261722 /nfs/dbraw/zinc/26/17/22/398261722.db2.gz DRZZAFPEDDHABY-SSDOTTSWSA-N 1 2 245.286 0.591 20 0 BCADLO CCc1cc(N2CC(=O)N[C@@H](C)C2)nc(C)[nH+]1 ZINC000649459018 398261731 /nfs/dbraw/zinc/26/17/31/398261731.db2.gz BJXYXVSKOBJCOR-QMMMGPOBSA-N 1 2 234.303 0.672 20 0 BCADLO Cn1cccc1C(=O)NCc1c[nH+]cn1C ZINC000291418774 538948106 /nfs/dbraw/zinc/94/81/06/538948106.db2.gz KGPLPQWTQBHZPO-UHFFFAOYSA-N 1 2 218.260 0.689 20 0 BCADLO CC[C@@H](C)OCC(=O)NCc1c[nH+]cn1C ZINC000291459257 538948119 /nfs/dbraw/zinc/94/81/19/538948119.db2.gz OAMBOKJMKDYHJG-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO CCOC1CC(C(=O)NCc2c[nH+]cn2C)C1 ZINC000291500933 538948160 /nfs/dbraw/zinc/94/81/60/538948160.db2.gz SBJVTSGNQBAOBZ-UHFFFAOYSA-N 1 2 237.303 0.851 20 0 BCADLO CN(C)c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000185247187 398262192 /nfs/dbraw/zinc/26/21/92/398262192.db2.gz CTWWPPSWINCORL-UHFFFAOYSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000185247187 398262194 /nfs/dbraw/zinc/26/21/94/398262194.db2.gz CTWWPPSWINCORL-UHFFFAOYSA-N 1 2 226.280 0.092 20 0 BCADLO COc1ccnc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000174753190 538948692 /nfs/dbraw/zinc/94/86/92/538948692.db2.gz DHJGXSCWNMXDGD-UHFFFAOYSA-N 1 2 246.270 0.786 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291380084 538947855 /nfs/dbraw/zinc/94/78/55/538947855.db2.gz ZTJBZXXSGGLJQP-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)cc(=O)[nH]1 ZINC000291241989 538947859 /nfs/dbraw/zinc/94/78/59/538947859.db2.gz OIAUNRDSYAHOCU-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO O=C(COCC1CC1)NCCc1[nH]cc[nH+]1 ZINC000171754756 346837375 /nfs/dbraw/zinc/83/73/75/346837375.db2.gz ZYSFHKGCGLMARN-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000180585531 538958665 /nfs/dbraw/zinc/95/86/65/538958665.db2.gz YYBFXWXGLKWRAT-PSASIEDQSA-N 1 2 236.319 0.990 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCOC)C(=O)OC ZINC000053258558 346850327 /nfs/dbraw/zinc/85/03/27/346850327.db2.gz FDIYAMUYADBOAP-IUCAKERBSA-N 1 2 203.282 0.810 20 0 BCADLO COC(=O)[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000600116815 342673655 /nfs/dbraw/zinc/67/36/55/342673655.db2.gz DNMPCNZPMNNGJL-SECBINFHSA-N 1 2 239.275 0.092 20 0 BCADLO CC[N@H+](CCO)Cc1nnc(C2CCC2)n1C ZINC000181255483 538960515 /nfs/dbraw/zinc/96/05/15/538960515.db2.gz PFSHUHWHQKFOBY-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CC[N@@H+](CCO)Cc1nnc(C2CCC2)n1C ZINC000181255483 538960516 /nfs/dbraw/zinc/96/05/16/538960516.db2.gz PFSHUHWHQKFOBY-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO COC(=O)CN(Cc1[nH]cc(C)[nH+]1)C1CC1 ZINC000600133243 342687245 /nfs/dbraw/zinc/68/72/45/342687245.db2.gz OXLRVTCQWMAGPQ-UHFFFAOYSA-N 1 2 223.276 0.856 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616342211 342718316 /nfs/dbraw/zinc/71/83/16/342718316.db2.gz XOPBNQZCVOYIKO-MWODSPESSA-N 1 2 249.314 0.544 20 0 BCADLO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616342211 342718317 /nfs/dbraw/zinc/71/83/17/342718317.db2.gz XOPBNQZCVOYIKO-MWODSPESSA-N 1 2 249.314 0.544 20 0 BCADLO COC(=O)[C@H](C)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000600153407 342692075 /nfs/dbraw/zinc/69/20/75/342692075.db2.gz LASHUAHKEOIKDO-QMMMGPOBSA-N 1 2 211.265 0.711 20 0 BCADLO COC(=O)[C@@H](NCc1[nH]cc(C)[nH+]1)C1CC1 ZINC000600156292 342692606 /nfs/dbraw/zinc/69/26/06/342692606.db2.gz MNDBZCRTJRQOEZ-JTQLQIEISA-N 1 2 223.276 0.759 20 0 BCADLO COC(=O)[C@H](NCc1[nH]cc(C)[nH+]1)C1CC1 ZINC000600156295 342692703 /nfs/dbraw/zinc/69/27/03/342692703.db2.gz MNDBZCRTJRQOEZ-SNVBAGLBSA-N 1 2 223.276 0.759 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cc2n(n1)CCC2 ZINC000649479170 398276904 /nfs/dbraw/zinc/27/69/04/398276904.db2.gz ITOGUNSTLXLFKU-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cc2n(n1)CCC2 ZINC000649479170 398276907 /nfs/dbraw/zinc/27/69/07/398276907.db2.gz ITOGUNSTLXLFKU-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cncnc2)C(C)(C)C1 ZINC000182084218 538961945 /nfs/dbraw/zinc/96/19/45/538961945.db2.gz YIDPSPQMSYLXAV-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cncnc2)C(C)(C)C1 ZINC000182084218 538961946 /nfs/dbraw/zinc/96/19/46/538961946.db2.gz YIDPSPQMSYLXAV-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO COC(=O)C[N@H+](C)Cc1cccc(N)c1 ZINC000035359922 342743144 /nfs/dbraw/zinc/74/31/44/342743144.db2.gz BDFXLYHCHHLVMJ-UHFFFAOYSA-N 1 2 208.261 0.874 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1cccc(N)c1 ZINC000035359922 342743145 /nfs/dbraw/zinc/74/31/45/342743145.db2.gz BDFXLYHCHHLVMJ-UHFFFAOYSA-N 1 2 208.261 0.874 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)[C@H](CC)CN1C(C)=O ZINC000472332387 529384570 /nfs/dbraw/zinc/38/45/70/529384570.db2.gz WKMQQAGJOCFRLE-GHMZBOCLSA-N 1 2 241.335 0.193 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)[C@H](CC)CN1C(C)=O ZINC000472332387 529384574 /nfs/dbraw/zinc/38/45/74/529384574.db2.gz WKMQQAGJOCFRLE-GHMZBOCLSA-N 1 2 241.335 0.193 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000583331506 342735326 /nfs/dbraw/zinc/73/53/26/342735326.db2.gz FUVCFVNABVCYGB-UHFFFAOYSA-N 1 2 247.258 0.276 20 0 BCADLO Cn1nnnc1NCCNc1cccc[nH+]1 ZINC000309634347 342771362 /nfs/dbraw/zinc/77/13/62/342771362.db2.gz LVTLHQFHBJFSIA-UHFFFAOYSA-N 1 2 219.252 0.129 20 0 BCADLO CC(C)Oc1cc[nH+]c(CN(C)CC(N)=O)c1 ZINC000649486292 398283015 /nfs/dbraw/zinc/28/30/15/398283015.db2.gz FPGOYCWAIKZHNN-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000309663383 342779302 /nfs/dbraw/zinc/77/93/02/342779302.db2.gz GSOBONNGBUMFPW-IUCAKERBSA-N 1 2 241.364 0.830 20 0 BCADLO CC1(O)C[NH+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000639254065 398285171 /nfs/dbraw/zinc/28/51/71/398285171.db2.gz YKZPSVSUDWVGSE-UHFFFAOYSA-N 1 2 248.282 0.584 20 0 BCADLO CCC(CC)[NH2+]N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377068429 168390338 /nfs/dbraw/zinc/39/03/38/168390338.db2.gz RRHVFIMBNXEOHM-GXSJLCMTSA-N 1 2 246.376 0.799 20 0 BCADLO CC1(O)C[NH+](Cc2cccc(F)c2N)C1 ZINC000639254048 398285365 /nfs/dbraw/zinc/28/53/65/398285365.db2.gz XRTJCEFUAYMALE-UHFFFAOYSA-N 1 2 210.252 0.975 20 0 BCADLO c1c[nH+]c(CN2CCO[C@]3(CCOC3)C2)[nH]1 ZINC000185214878 538970309 /nfs/dbraw/zinc/97/03/09/538970309.db2.gz AKZLOXCAPOBOKI-LLVKDONJSA-N 1 2 223.276 0.401 20 0 BCADLO COCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624655677 342809915 /nfs/dbraw/zinc/80/99/15/342809915.db2.gz MANYJFSODUKWEH-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624655677 342809916 /nfs/dbraw/zinc/80/99/16/342809916.db2.gz MANYJFSODUKWEH-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCc1cc(N[C@@H](C)C(=O)N(C)C)nc[nH+]1 ZINC000042571929 538978254 /nfs/dbraw/zinc/97/82/54/538978254.db2.gz RIHMPHAWSQSSGG-QMMMGPOBSA-N 1 2 222.292 0.928 20 0 BCADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)OC ZINC000172771504 346863685 /nfs/dbraw/zinc/86/36/85/346863685.db2.gz LXRRMYOLLOLCEA-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)OC ZINC000172771504 346863689 /nfs/dbraw/zinc/86/36/89/346863689.db2.gz LXRRMYOLLOLCEA-SECBINFHSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1nc(N(C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000624688466 342816588 /nfs/dbraw/zinc/81/65/88/342816588.db2.gz SHFIFWOBNFOYHG-AOOOYVTPSA-N 1 2 207.277 0.992 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000630049024 361918320 /nfs/dbraw/zinc/91/83/20/361918320.db2.gz RBGJKGQQXNGJRB-WCQYABFASA-N 1 2 243.347 0.619 20 0 BCADLO CCOC1C[NH+](C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000630049025 361918742 /nfs/dbraw/zinc/91/87/42/361918742.db2.gz RBGJKGQQXNGJRB-YPMHNXCESA-N 1 2 243.347 0.619 20 0 BCADLO O[C@@H]1COCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000624688582 342820192 /nfs/dbraw/zinc/82/01/92/342820192.db2.gz UWFVUFJUEPGCFK-CHWSQXEVSA-N 1 2 245.282 0.613 20 0 BCADLO CCc1cc(N[C@@H]2CCOC[C@H]2O)nc[nH+]1 ZINC000624688925 342820376 /nfs/dbraw/zinc/82/03/76/342820376.db2.gz XLZMVJOQOISTQY-NXEZZACHSA-N 1 2 223.276 0.601 20 0 BCADLO NC(=O)c1c[nH]c2nc[nH+]c(NCC3COC3)c12 ZINC000624689186 342820399 /nfs/dbraw/zinc/82/03/99/342820399.db2.gz YOSBJKOKCUAQFJ-UHFFFAOYSA-N 1 2 247.258 0.067 20 0 BCADLO CC[C@H]1CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624732318 342823653 /nfs/dbraw/zinc/82/36/53/342823653.db2.gz OSNFXOMDSXTTFV-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO CC[C@H]1CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732318 342823655 /nfs/dbraw/zinc/82/36/55/342823655.db2.gz OSNFXOMDSXTTFV-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C/C=C/CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624732225 342823666 /nfs/dbraw/zinc/82/36/66/342823666.db2.gz PVLZWTUORPBMQU-HMDXOVGESA-N 1 2 227.308 0.192 20 0 BCADLO C/C=C/CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732225 342823668 /nfs/dbraw/zinc/82/36/68/342823668.db2.gz PVLZWTUORPBMQU-HMDXOVGESA-N 1 2 227.308 0.192 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000496293725 529395261 /nfs/dbraw/zinc/39/52/61/529395261.db2.gz MWSOQCZMNAZSQH-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000496293725 529395263 /nfs/dbraw/zinc/39/52/63/529395263.db2.gz MWSOQCZMNAZSQH-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO FC1C[NH+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000380208476 538987365 /nfs/dbraw/zinc/98/73/65/538987365.db2.gz XOJHERKTGJSDFI-QMMMGPOBSA-N 1 2 210.256 0.579 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)CC ZINC000349130541 398292834 /nfs/dbraw/zinc/29/28/34/398292834.db2.gz WYZBUIVIYKLAJU-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)CC ZINC000349130541 398292837 /nfs/dbraw/zinc/29/28/37/398292837.db2.gz WYZBUIVIYKLAJU-MNOVXSKESA-N 1 2 228.336 0.964 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649495034 398292976 /nfs/dbraw/zinc/29/29/76/398292976.db2.gz DQXTWLGKJOGZNN-GFCCVEGCSA-N 1 2 248.330 0.540 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649495034 398292977 /nfs/dbraw/zinc/29/29/77/398292977.db2.gz DQXTWLGKJOGZNN-GFCCVEGCSA-N 1 2 248.330 0.540 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1O ZINC000634413747 361932495 /nfs/dbraw/zinc/93/24/95/361932495.db2.gz IENAQFPEBLPMHU-QWRGUYRKSA-N 1 2 237.303 0.382 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1CCC(CO)CC1 ZINC000379881057 538981248 /nfs/dbraw/zinc/98/12/48/538981248.db2.gz BFFPDFRHFBDQHH-UHFFFAOYSA-N 1 2 237.303 0.550 20 0 BCADLO c1ncn([C@H]2CCC[N@@H+](Cc3ncccn3)C2)n1 ZINC000192009768 538993809 /nfs/dbraw/zinc/99/38/09/538993809.db2.gz LQRKBRLASGGLND-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO c1ncn([C@H]2CCC[N@H+](Cc3ncccn3)C2)n1 ZINC000192009768 538993810 /nfs/dbraw/zinc/99/38/10/538993810.db2.gz LQRKBRLASGGLND-NSHDSACASA-N 1 2 244.302 0.905 20 0 BCADLO COc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)on1 ZINC000640716523 361961740 /nfs/dbraw/zinc/96/17/40/361961740.db2.gz OOYZWJYJXLPDNZ-UHFFFAOYSA-N 1 2 236.231 0.645 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2ccncc2F)C1 ZINC000381295576 538997782 /nfs/dbraw/zinc/99/77/82/538997782.db2.gz GFSDCOVNGXHMCA-VIFPVBQESA-N 1 2 225.267 0.385 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2ccncc2F)C1 ZINC000381295576 538997783 /nfs/dbraw/zinc/99/77/83/538997783.db2.gz GFSDCOVNGXHMCA-VIFPVBQESA-N 1 2 225.267 0.385 20 0 BCADLO COC[C@H](C[NH2+][C@H](C)c1nc(C)no1)OC ZINC000381329385 538997991 /nfs/dbraw/zinc/99/79/91/538997991.db2.gz SLBAIALSFFQQGS-APPZFPTMSA-N 1 2 229.280 0.690 20 0 BCADLO COC[C@@H](C[NH2+][C@H](C)c1nc(C)no1)OC ZINC000381329394 538998133 /nfs/dbraw/zinc/99/81/33/538998133.db2.gz SLBAIALSFFQQGS-VXNVDRBHSA-N 1 2 229.280 0.690 20 0 BCADLO Cc1nc(NC[C@@H]2CCCC(=O)N2)cc[nH+]1 ZINC000381353779 538998760 /nfs/dbraw/zinc/99/87/60/538998760.db2.gz CKQUINVFMGSVHX-VIFPVBQESA-N 1 2 220.276 0.288 20 0 BCADLO CCc1nnc([C@@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000390656077 539026905 /nfs/dbraw/zinc/02/69/05/539026905.db2.gz QSBNFAUBUDXUQH-SSDOTTSWSA-N 1 2 220.280 0.941 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000389711166 539017192 /nfs/dbraw/zinc/01/71/92/539017192.db2.gz VCRXCWXXVGDUSM-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000389711166 539017194 /nfs/dbraw/zinc/01/71/94/539017194.db2.gz VCRXCWXXVGDUSM-APPZFPTMSA-N 1 2 223.276 0.902 20 0 BCADLO COc1cc(C)[nH+]c(CNCc2cn(C)nn2)c1 ZINC000389843529 539017270 /nfs/dbraw/zinc/01/72/70/539017270.db2.gz LKDGPXJMIVJQOY-UHFFFAOYSA-N 1 2 247.302 0.817 20 0 BCADLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127390422 342853990 /nfs/dbraw/zinc/85/39/90/342853990.db2.gz LPWBOXNQXDJRCT-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127390422 342853991 /nfs/dbraw/zinc/85/39/91/342853991.db2.gz LPWBOXNQXDJRCT-UHFFFAOYSA-N 1 2 234.299 0.969 20 0 BCADLO COC(=O)[C@](C)(NCCn1cc[nH+]c1)C1CC1 ZINC000536605923 398304039 /nfs/dbraw/zinc/30/40/39/398304039.db2.gz PPZYKZWUUJPJBQ-GFCCVEGCSA-N 1 2 237.303 0.814 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000232571249 342860496 /nfs/dbraw/zinc/86/04/96/342860496.db2.gz YOSMCOFFMJWHJS-UHFFFAOYSA-N 1 2 203.249 0.997 20 0 BCADLO C[C@]1(F)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000336267441 398317432 /nfs/dbraw/zinc/31/74/32/398317432.db2.gz QODDJGWIIDECGX-VIFPVBQESA-N 1 2 217.244 0.005 20 0 BCADLO C[C@]1(F)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000336267441 398317436 /nfs/dbraw/zinc/31/74/36/398317436.db2.gz QODDJGWIIDECGX-VIFPVBQESA-N 1 2 217.244 0.005 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625166509 342898961 /nfs/dbraw/zinc/89/89/61/342898961.db2.gz GQSOUFIMCUOLDE-SECBINFHSA-N 1 2 243.332 0.511 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625166509 342898962 /nfs/dbraw/zinc/89/89/62/342898962.db2.gz GQSOUFIMCUOLDE-SECBINFHSA-N 1 2 243.332 0.511 20 0 BCADLO C[C@@H]([NH2+]Cc1ncnn1C)C(=O)NC(C)(C)C ZINC000134804180 342892591 /nfs/dbraw/zinc/89/25/91/342892591.db2.gz ATZDUZKCEVEDPT-MRVPVSSYSA-N 1 2 239.323 0.208 20 0 BCADLO CCO[C@@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000625238997 342927228 /nfs/dbraw/zinc/92/72/28/342927228.db2.gz LPYLWPXRGQNOKG-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)COCC(F)F ZINC000625240110 342927756 /nfs/dbraw/zinc/92/77/56/342927756.db2.gz WAYZRQLIWRMHLT-UHFFFAOYSA-N 1 2 233.218 0.318 20 0 BCADLO C[N@@H+](Cc1cnns1)C[C@H](O)C1CC1 ZINC000625221333 342918582 /nfs/dbraw/zinc/91/85/82/342918582.db2.gz LGKZEWLXRLUKEA-VIFPVBQESA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1cnns1)C[C@H](O)C1CC1 ZINC000625221333 342918583 /nfs/dbraw/zinc/91/85/83/342918583.db2.gz LGKZEWLXRLUKEA-VIFPVBQESA-N 1 2 213.306 0.741 20 0 BCADLO COc1c(N)[nH+]cnc1NCCSC ZINC000134895962 342920640 /nfs/dbraw/zinc/92/06/40/342920640.db2.gz QLJBEIPQAWOZFW-UHFFFAOYSA-N 1 2 214.294 0.842 20 0 BCADLO COc1c(N)nc[nH+]c1NCCSC ZINC000134895962 342920641 /nfs/dbraw/zinc/92/06/41/342920641.db2.gz QLJBEIPQAWOZFW-UHFFFAOYSA-N 1 2 214.294 0.842 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000234548408 536637580 /nfs/dbraw/zinc/63/75/80/536637580.db2.gz GHEMZGYJWWJPEK-UJNFCWOMSA-N 1 2 213.277 0.705 20 0 BCADLO COC[C@H]([NH2+]CCC[C@@H]1CCO1)C(=O)OC ZINC000602637741 349651530 /nfs/dbraw/zinc/65/15/30/349651530.db2.gz ZKHMWJIKMGUBPS-ZJUUUORDSA-N 1 2 231.292 0.333 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1[nH]ncc1C ZINC000289511183 398337798 /nfs/dbraw/zinc/33/77/98/398337798.db2.gz NASPJLNXRHVUJT-SECBINFHSA-N 1 2 245.348 0.631 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289511183 398337799 /nfs/dbraw/zinc/33/77/99/398337799.db2.gz NASPJLNXRHVUJT-SECBINFHSA-N 1 2 245.348 0.631 20 0 BCADLO CN(C)c1cnc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000355194976 398331703 /nfs/dbraw/zinc/33/17/03/398331703.db2.gz OPPVSDAYXZXOOT-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO CN(C)c1cnc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000355194976 398331704 /nfs/dbraw/zinc/33/17/04/398331704.db2.gz OPPVSDAYXZXOOT-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCC1OCCO1 ZINC000125238265 398339278 /nfs/dbraw/zinc/33/92/78/398339278.db2.gz OMFLWYQTMARRLZ-UHFFFAOYSA-N 1 2 225.292 0.615 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCC1OCCO1 ZINC000125238265 398339279 /nfs/dbraw/zinc/33/92/79/398339279.db2.gz OMFLWYQTMARRLZ-UHFFFAOYSA-N 1 2 225.292 0.615 20 0 BCADLO CC[C@@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871322 529468059 /nfs/dbraw/zinc/46/80/59/529468059.db2.gz XIZHMMCVTZJDGE-TYRPZCRBSA-N 1 2 223.276 0.700 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCCO ZINC000234786933 342942482 /nfs/dbraw/zinc/94/24/82/342942482.db2.gz AYVFLGDSQQWBCK-UHFFFAOYSA-N 1 2 212.253 0.252 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCCO ZINC000234786933 342942484 /nfs/dbraw/zinc/94/24/84/342942484.db2.gz AYVFLGDSQQWBCK-UHFFFAOYSA-N 1 2 212.253 0.252 20 0 BCADLO O=C(Nc1cncnc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170017065 398343885 /nfs/dbraw/zinc/34/38/85/398343885.db2.gz LEACIBMRNHJFII-VIFPVBQESA-N 1 2 243.270 0.874 20 0 BCADLO CN(CC1CC1)C(=O)NCc1c[nH+]cn1C ZINC000291838188 398344292 /nfs/dbraw/zinc/34/42/92/398344292.db2.gz JAXWBZXMPFHYFM-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000351782325 136254018 /nfs/dbraw/zinc/25/40/18/136254018.db2.gz PYDXMTBIWYEISX-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000351782325 136254019 /nfs/dbraw/zinc/25/40/19/136254019.db2.gz PYDXMTBIWYEISX-KCJUWKMLSA-N 1 2 226.276 0.565 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@H](C)OC ZINC000304677363 259336022 /nfs/dbraw/zinc/33/60/22/259336022.db2.gz YDKDZNCYLNYICP-ZETCQYMHSA-N 1 2 226.280 0.539 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@H](C)OC ZINC000304677363 259336024 /nfs/dbraw/zinc/33/60/24/259336024.db2.gz YDKDZNCYLNYICP-ZETCQYMHSA-N 1 2 226.280 0.539 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(C)(O)C1 ZINC000492905226 529557196 /nfs/dbraw/zinc/55/71/96/529557196.db2.gz ZEQYBANCSNYHIH-PLNGDYQASA-N 1 2 235.287 0.509 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](OC)C1 ZINC000235002777 342975626 /nfs/dbraw/zinc/97/56/26/342975626.db2.gz FCQATNZCFIEMQI-ZETCQYMHSA-N 1 2 224.264 0.293 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](OC)C1 ZINC000235002777 342975628 /nfs/dbraw/zinc/97/56/28/342975628.db2.gz FCQATNZCFIEMQI-ZETCQYMHSA-N 1 2 224.264 0.293 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602766067 349721963 /nfs/dbraw/zinc/72/19/63/349721963.db2.gz LEYYMQWWMOVIGI-VIFPVBQESA-N 1 2 215.293 0.906 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602766067 349721965 /nfs/dbraw/zinc/72/19/65/349721965.db2.gz LEYYMQWWMOVIGI-VIFPVBQESA-N 1 2 215.293 0.906 20 0 BCADLO CCO[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000335900181 136258846 /nfs/dbraw/zinc/25/88/46/136258846.db2.gz JTMPTEUMDFAEEP-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCC[N@H+](CCN(C#N)CC)CC(=O)NC ZINC000602767010 349722483 /nfs/dbraw/zinc/72/24/83/349722483.db2.gz HPECMCJEQOEWGY-UHFFFAOYSA-N 1 2 226.324 0.247 20 0 BCADLO CCC[N@@H+](CCN(C#N)CC)CC(=O)NC ZINC000602767010 349722485 /nfs/dbraw/zinc/72/24/85/349722485.db2.gz HPECMCJEQOEWGY-UHFFFAOYSA-N 1 2 226.324 0.247 20 0 BCADLO CSC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000602724832 349714250 /nfs/dbraw/zinc/71/42/50/349714250.db2.gz FHRHLUBGYPZMJO-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO COC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)n1C ZINC000602732247 349718139 /nfs/dbraw/zinc/71/81/39/349718139.db2.gz RKBZJXNFOAWHSX-UHFFFAOYSA-N 1 2 248.286 0.825 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000602799181 349739719 /nfs/dbraw/zinc/73/97/19/349739719.db2.gz SPOBDOQNWPJISD-LLVKDONJSA-N 1 2 248.334 0.755 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000602799181 349739724 /nfs/dbraw/zinc/73/97/24/349739724.db2.gz SPOBDOQNWPJISD-LLVKDONJSA-N 1 2 248.334 0.755 20 0 BCADLO CCN(C#N)CCN(C)Cc1[nH]cc[nH+]1 ZINC000602799422 349741189 /nfs/dbraw/zinc/74/11/89/349741189.db2.gz OUYSJARELSLMGA-UHFFFAOYSA-N 1 2 207.281 0.644 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000602778156 349745075 /nfs/dbraw/zinc/74/50/75/349745075.db2.gz CEBARNBAAQVKEL-YUMQZZPRSA-N 1 2 242.275 0.835 20 0 BCADLO COC(=O)c1coc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000602778156 349745080 /nfs/dbraw/zinc/74/50/80/349745080.db2.gz CEBARNBAAQVKEL-YUMQZZPRSA-N 1 2 242.275 0.835 20 0 BCADLO CC[N@H+](CCO)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602773131 349727117 /nfs/dbraw/zinc/72/71/17/349727117.db2.gz QVHDOTZJZGTTPC-QMMMGPOBSA-N 1 2 242.275 0.836 20 0 BCADLO CC[N@@H+](CCO)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602773131 349727121 /nfs/dbraw/zinc/72/71/21/349727121.db2.gz QVHDOTZJZGTTPC-QMMMGPOBSA-N 1 2 242.275 0.836 20 0 BCADLO CCOC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000383974010 343007795 /nfs/dbraw/zinc/00/77/95/343007795.db2.gz GCXAHSLDTUVLKM-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CCOC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000383974010 343007796 /nfs/dbraw/zinc/00/77/96/343007796.db2.gz GCXAHSLDTUVLKM-UHFFFAOYSA-N 1 2 211.265 0.841 20 0 BCADLO CC[C@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602764837 349734842 /nfs/dbraw/zinc/73/48/42/349734842.db2.gz ZLXRDNWVGMPREA-NSHDSACASA-N 1 2 211.309 0.900 20 0 BCADLO CC[C@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602764837 349734845 /nfs/dbraw/zinc/73/48/45/349734845.db2.gz ZLXRDNWVGMPREA-NSHDSACASA-N 1 2 211.309 0.900 20 0 BCADLO CC1=NN(CCC[NH+]2CCOCC2)C(=O)[C@H]1C ZINC000634616369 343014537 /nfs/dbraw/zinc/01/45/37/343014537.db2.gz KLGCZYSUULUSQW-JTQLQIEISA-N 1 2 239.319 0.563 20 0 BCADLO Cc1[nH]n(CCC[NH+]2CCOCC2)c(=O)c1C ZINC000634616369 343014538 /nfs/dbraw/zinc/01/45/38/343014538.db2.gz KLGCZYSUULUSQW-JTQLQIEISA-N 1 2 239.319 0.563 20 0 BCADLO CC1=NN(CCC[NH+]2CCOCC2)C(=O)[C@@H]1C ZINC000634616370 343014647 /nfs/dbraw/zinc/01/46/47/343014647.db2.gz KLGCZYSUULUSQW-SNVBAGLBSA-N 1 2 239.319 0.563 20 0 BCADLO Cc1[nH]n(CCC[NH+]2CCOCC2)c(=O)c1C ZINC000634616370 343014649 /nfs/dbraw/zinc/01/46/49/343014649.db2.gz KLGCZYSUULUSQW-SNVBAGLBSA-N 1 2 239.319 0.563 20 0 BCADLO COC(=O)C[N@H+](C)CCOCC(F)(F)F ZINC000048743290 343016650 /nfs/dbraw/zinc/01/66/50/343016650.db2.gz LROOXSXGBMMXRP-UHFFFAOYSA-N 1 2 229.198 0.670 20 0 BCADLO COC(=O)C[N@@H+](C)CCOCC(F)(F)F ZINC000048743290 343016652 /nfs/dbraw/zinc/01/66/52/343016652.db2.gz LROOXSXGBMMXRP-UHFFFAOYSA-N 1 2 229.198 0.670 20 0 BCADLO Cc1cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)ccn1 ZINC000634619269 343018391 /nfs/dbraw/zinc/01/83/91/343018391.db2.gz UKBIBGANTQNMHU-JTQLQIEISA-N 1 2 230.271 0.702 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000602828830 349766764 /nfs/dbraw/zinc/76/67/64/349766764.db2.gz VDWDCUFTJPTFPY-SNVBAGLBSA-N 1 2 215.272 0.196 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@](F)(CO)C1 ZINC000602828830 349766766 /nfs/dbraw/zinc/76/67/66/349766766.db2.gz VDWDCUFTJPTFPY-SNVBAGLBSA-N 1 2 215.272 0.196 20 0 BCADLO COC(=O)C[N@H+](CC(C)=O)C1CCCC1 ZINC000602789160 349752369 /nfs/dbraw/zinc/75/23/69/349752369.db2.gz VHCFPFNRFAQZFX-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)C[N@@H+](CC(C)=O)C1CCCC1 ZINC000602789160 349752371 /nfs/dbraw/zinc/75/23/71/349752371.db2.gz VHCFPFNRFAQZFX-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO O=c1c2c([nH]n1C13CC(C1)C3)CC[NH2+]C2 ZINC000634625105 343025216 /nfs/dbraw/zinc/02/52/16/343025216.db2.gz YFHZPSAZUDUFDV-KAIZJQOQSA-N 1 2 205.261 0.347 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1nncn1C ZINC000602808114 349753310 /nfs/dbraw/zinc/75/33/10/349753310.db2.gz CBCLGBUCOVQHFD-SECBINFHSA-N 1 2 222.296 0.269 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000602809633 349753530 /nfs/dbraw/zinc/75/35/30/349753530.db2.gz AYIJGPRBNOVHCO-MNOVXSKESA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000602809633 349753533 /nfs/dbraw/zinc/75/35/33/349753533.db2.gz AYIJGPRBNOVHCO-MNOVXSKESA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1CCOC ZINC000602840342 349778417 /nfs/dbraw/zinc/77/84/17/349778417.db2.gz ZSZKKNKZRDLGSS-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1CCOC ZINC000602840342 349778420 /nfs/dbraw/zinc/77/84/20/349778420.db2.gz ZSZKKNKZRDLGSS-LBPRGKRZSA-N 1 2 241.335 0.527 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H]1COCCO1 ZINC000038060873 343056884 /nfs/dbraw/zinc/05/68/84/343056884.db2.gz IIRDAJITNPMJHD-JTQLQIEISA-N 1 2 211.265 0.223 20 0 BCADLO CC1(C)OCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634632464 343043967 /nfs/dbraw/zinc/04/39/67/343043967.db2.gz RTUAVJJNTFHCLT-WCBMZHEXSA-N 1 2 237.303 0.362 20 0 BCADLO Cc1csc(C[NH2+]CC(=O)NC2CC2)n1 ZINC000038091623 343062409 /nfs/dbraw/zinc/06/24/09/343062409.db2.gz ZPDWTKBWLCSCCN-UHFFFAOYSA-N 1 2 225.317 0.820 20 0 BCADLO O=C(C1CC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000336627215 136264529 /nfs/dbraw/zinc/26/45/29/136264529.db2.gz IYHLJLGEPZPRDI-GFCCVEGCSA-N 1 2 231.299 0.965 20 0 BCADLO COC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602887541 349794357 /nfs/dbraw/zinc/79/43/57/349794357.db2.gz NGQFVKNDHILCPM-UHFFFAOYSA-N 1 2 235.287 0.682 20 0 BCADLO COC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602887541 349794359 /nfs/dbraw/zinc/79/43/59/349794359.db2.gz NGQFVKNDHILCPM-UHFFFAOYSA-N 1 2 235.287 0.682 20 0 BCADLO CN(CC[NH+]1CCOCC1)c1ncccn1 ZINC000067448141 362031427 /nfs/dbraw/zinc/03/14/27/362031427.db2.gz UIMVLKIFRRKDHI-UHFFFAOYSA-N 1 2 222.292 0.245 20 0 BCADLO C[C@@H](CNC(=O)c1ccco1)[NH+]1CCOCC1 ZINC000029957997 343154944 /nfs/dbraw/zinc/15/49/44/343154944.db2.gz IEAIEGKHHUTKHR-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1(CCO)CC1 ZINC000097908996 343155407 /nfs/dbraw/zinc/15/54/07/343155407.db2.gz VKVSVXLLEYRTLR-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1(CCO)CC1 ZINC000097908996 343155408 /nfs/dbraw/zinc/15/54/08/343155408.db2.gz VKVSVXLLEYRTLR-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000097992785 343157668 /nfs/dbraw/zinc/15/76/68/343157668.db2.gz XMXBOFOCXIVXTA-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000097992785 343157671 /nfs/dbraw/zinc/15/76/71/343157671.db2.gz XMXBOFOCXIVXTA-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO Cn1ccc(C[NH2+]CC(=O)NCC2CC2)n1 ZINC000124738859 343164996 /nfs/dbraw/zinc/16/49/96/343164996.db2.gz BGHOJYCHBCHPNS-UHFFFAOYSA-N 1 2 222.292 0.036 20 0 BCADLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000078605163 136272632 /nfs/dbraw/zinc/27/26/32/136272632.db2.gz KDCMSOQKPINWPZ-RYUDHWBXSA-N 1 2 241.379 0.927 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)Cc1cnn(C)c1 ZINC000134841319 343191217 /nfs/dbraw/zinc/19/12/17/343191217.db2.gz ZRFIEVVJGJUUEF-UHFFFAOYSA-N 1 2 248.290 0.437 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)Cc1cnn(C)c1 ZINC000134841319 343191219 /nfs/dbraw/zinc/19/12/19/343191219.db2.gz ZRFIEVVJGJUUEF-UHFFFAOYSA-N 1 2 248.290 0.437 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cnn(C)c1 ZINC000134870173 343191594 /nfs/dbraw/zinc/19/15/94/343191594.db2.gz DBTOSBIQFLZDCR-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cnn(C)c1 ZINC000134870173 343191595 /nfs/dbraw/zinc/19/15/95/343191595.db2.gz DBTOSBIQFLZDCR-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCCOCC1 ZINC000134882912 343191793 /nfs/dbraw/zinc/19/17/93/343191793.db2.gz AAMFHOUZZGFAQR-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCCOCC1 ZINC000134882912 343191795 /nfs/dbraw/zinc/19/17/95/343191795.db2.gz AAMFHOUZZGFAQR-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO CC[C@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000134907230 343191939 /nfs/dbraw/zinc/19/19/39/343191939.db2.gz AUQSMBMYLJJJJT-JTQLQIEISA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000134907230 343191941 /nfs/dbraw/zinc/19/19/41/343191941.db2.gz AUQSMBMYLJJJJT-JTQLQIEISA-N 1 2 226.280 0.640 20 0 BCADLO CC[C@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000134966414 343192410 /nfs/dbraw/zinc/19/24/10/343192410.db2.gz NGDSCLJFZOBBPC-MRVPVSSYSA-N 1 2 235.291 0.936 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299639 343226511 /nfs/dbraw/zinc/22/65/11/343226511.db2.gz YGPVXOQFSCFMDQ-QMMMGPOBSA-N 1 2 231.321 0.875 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299639 343226512 /nfs/dbraw/zinc/22/65/12/343226512.db2.gz YGPVXOQFSCFMDQ-QMMMGPOBSA-N 1 2 231.321 0.875 20 0 BCADLO C[C@H]1OCC[C@H]1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301865 343227817 /nfs/dbraw/zinc/22/78/17/343227817.db2.gz YXZOGPZKTWPUEA-VXNVDRBHSA-N 1 2 245.304 0.007 20 0 BCADLO C[C@H]1OCC[C@H]1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301865 343227819 /nfs/dbraw/zinc/22/78/19/343227819.db2.gz YXZOGPZKTWPUEA-VXNVDRBHSA-N 1 2 245.304 0.007 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000068950964 343254900 /nfs/dbraw/zinc/25/49/00/343254900.db2.gz GQAHHAJETOKXHN-SNVBAGLBSA-N 1 2 230.333 0.972 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000068950964 343254901 /nfs/dbraw/zinc/25/49/01/343254901.db2.gz GQAHHAJETOKXHN-SNVBAGLBSA-N 1 2 230.333 0.972 20 0 BCADLO C[C@H]1CN(Cc2cnns2)CC[N@@H+]1CCO ZINC000625344172 343239832 /nfs/dbraw/zinc/23/98/32/343239832.db2.gz SIAWZONUEDYOEW-VIFPVBQESA-N 1 2 242.348 0.037 20 0 BCADLO C[C@H]1CN(Cc2cnns2)CC[N@H+]1CCO ZINC000625344172 343239834 /nfs/dbraw/zinc/23/98/34/343239834.db2.gz SIAWZONUEDYOEW-VIFPVBQESA-N 1 2 242.348 0.037 20 0 BCADLO C[C@@H]1CN(Cc2cnns2)CC[N@@H+]1CCO ZINC000625344171 343239874 /nfs/dbraw/zinc/23/98/74/343239874.db2.gz SIAWZONUEDYOEW-SECBINFHSA-N 1 2 242.348 0.037 20 0 BCADLO C[C@@H]1CN(Cc2cnns2)CC[N@H+]1CCO ZINC000625344171 343239875 /nfs/dbraw/zinc/23/98/75/343239875.db2.gz SIAWZONUEDYOEW-SECBINFHSA-N 1 2 242.348 0.037 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)O1 ZINC000122118117 136278090 /nfs/dbraw/zinc/27/80/90/136278090.db2.gz AUYDTNPOMTWKTA-MNOVXSKESA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]CCCO)C(=O)OC ZINC000232692296 136279379 /nfs/dbraw/zinc/27/93/79/136279379.db2.gz YMCOUEWMWPCSAA-BDAKNGLRSA-N 1 2 203.282 0.546 20 0 BCADLO CCOC(=O)C[N@H+](CC)[C@@H]1CCOC1 ZINC000069624632 343286100 /nfs/dbraw/zinc/28/61/00/343286100.db2.gz CLGPMHMEEROIOQ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000069624632 343286101 /nfs/dbraw/zinc/28/61/01/343286101.db2.gz CLGPMHMEEROIOQ-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO COC(=O)C[N@H+](CCO)Cc1ccccc1 ZINC000034263214 343267517 /nfs/dbraw/zinc/26/75/17/343267517.db2.gz JFXKBBSQMAYCSS-UHFFFAOYSA-N 1 2 223.272 0.654 20 0 BCADLO COC(=O)C[N@@H+](CCO)Cc1ccccc1 ZINC000034263214 343267519 /nfs/dbraw/zinc/26/75/19/343267519.db2.gz JFXKBBSQMAYCSS-UHFFFAOYSA-N 1 2 223.272 0.654 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccncc1 ZINC000088094623 136285490 /nfs/dbraw/zinc/28/54/90/136285490.db2.gz YQEVDSZCKPTPPC-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccncc1 ZINC000088094623 136285491 /nfs/dbraw/zinc/28/54/91/136285491.db2.gz YQEVDSZCKPTPPC-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000088619507 136285794 /nfs/dbraw/zinc/28/57/94/136285794.db2.gz MDSZIUNJPANCHK-LLVKDONJSA-N 1 2 238.335 0.892 20 0 BCADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000088619507 136285795 /nfs/dbraw/zinc/28/57/95/136285795.db2.gz MDSZIUNJPANCHK-LLVKDONJSA-N 1 2 238.335 0.892 20 0 BCADLO CCn1ccnc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000051921527 343278795 /nfs/dbraw/zinc/27/87/95/343278795.db2.gz XJHYILQTSPIISZ-VIFPVBQESA-N 1 2 224.308 0.469 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOCCOC ZINC000070482966 343328601 /nfs/dbraw/zinc/32/86/01/343328601.db2.gz IONRXVOIOLKMLT-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOCCOC ZINC000070482966 343328603 /nfs/dbraw/zinc/32/86/03/343328603.db2.gz IONRXVOIOLKMLT-UHFFFAOYSA-N 1 2 219.281 0.144 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCCO)C1CCOCC1 ZINC000348769050 136298291 /nfs/dbraw/zinc/29/82/91/136298291.db2.gz CSCALBPWMBDKNX-LLVKDONJSA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@H](O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493072910 529702562 /nfs/dbraw/zinc/70/25/62/529702562.db2.gz RJJDKPHCNBDXOE-RTMURIBGSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H](CO)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000134961585 343297736 /nfs/dbraw/zinc/29/77/36/343297736.db2.gz SMEMCODWDMEERJ-JGVFFNPUSA-N 1 2 235.291 0.792 20 0 BCADLO Cn1c[nH+]c(Cn2cc(CCCCCO)nn2)c1 ZINC000641053565 362162445 /nfs/dbraw/zinc/16/24/45/362162445.db2.gz JRBZDVAHSJBSRW-UHFFFAOYSA-N 1 2 249.318 0.765 20 0 BCADLO C[NH+](C)[C@@H](CNS(C)(=O)=O)c1ccco1 ZINC000036078800 343308712 /nfs/dbraw/zinc/30/87/12/343308712.db2.gz INGCRWLAZUFZSA-QMMMGPOBSA-N 1 2 232.305 0.432 20 0 BCADLO CC(C)SCC(=O)N1CC[NH+](C)CC1 ZINC000070225844 343314826 /nfs/dbraw/zinc/31/48/26/343314826.db2.gz NXLUWDMAZSOYMD-UHFFFAOYSA-N 1 2 216.350 0.902 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCc1cn(C)nn1 ZINC000625375735 343361598 /nfs/dbraw/zinc/36/15/98/343361598.db2.gz ZZIKDQVQRDMYFF-SECBINFHSA-N 1 2 210.281 0.078 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCc1cn(C)nn1 ZINC000625375735 343361600 /nfs/dbraw/zinc/36/16/00/343361600.db2.gz ZZIKDQVQRDMYFF-SECBINFHSA-N 1 2 210.281 0.078 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1=CCCC1 ZINC000348806396 136301656 /nfs/dbraw/zinc/30/16/56/136301656.db2.gz DYVIHQRIJXOURO-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1=CCCC1 ZINC000348806396 136301657 /nfs/dbraw/zinc/30/16/57/136301657.db2.gz DYVIHQRIJXOURO-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cn[nH]c1 ZINC000070798321 343340830 /nfs/dbraw/zinc/34/08/30/343340830.db2.gz ZFXYAWSUVKHCFY-UHFFFAOYSA-N 1 2 205.221 0.073 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000348833064 136303439 /nfs/dbraw/zinc/30/34/39/136303439.db2.gz IWBRTEHZTFRGGF-SNVBAGLBSA-N 1 2 248.286 0.212 20 0 BCADLO CCOCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641063259 362170088 /nfs/dbraw/zinc/17/00/88/362170088.db2.gz YACLIJNJVOZLGA-NSHDSACASA-N 1 2 240.307 0.366 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1O ZINC000348950922 136310221 /nfs/dbraw/zinc/31/02/21/136310221.db2.gz RLHWKPUDSFTJKN-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1O ZINC000348950922 136310222 /nfs/dbraw/zinc/31/02/22/136310222.db2.gz RLHWKPUDSFTJKN-RKDXNWHRSA-N 1 2 241.291 0.419 20 0 BCADLO CCN(C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335665648 136316321 /nfs/dbraw/zinc/31/63/21/136316321.db2.gz FCKVLGKVECPMOL-GHMZBOCLSA-N 1 2 241.335 0.463 20 0 BCADLO CCN(C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335665648 136316322 /nfs/dbraw/zinc/31/63/22/136316322.db2.gz FCKVLGKVECPMOL-GHMZBOCLSA-N 1 2 241.335 0.463 20 0 BCADLO CO[C@@H](C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641080333 362195001 /nfs/dbraw/zinc/19/50/01/362195001.db2.gz IPQLBCOIHLNVJQ-VIFPVBQESA-N 1 2 221.264 0.558 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)nc(C)n1 ZINC000349107226 136323485 /nfs/dbraw/zinc/32/34/85/136323485.db2.gz JLKKMQBBTKNRFW-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)nc(C)n1 ZINC000349107226 136323486 /nfs/dbraw/zinc/32/34/86/136323486.db2.gz JLKKMQBBTKNRFW-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000621381298 343395384 /nfs/dbraw/zinc/39/53/84/343395384.db2.gz QBNONIAOKDTCHE-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000621381298 343395385 /nfs/dbraw/zinc/39/53/85/343395385.db2.gz QBNONIAOKDTCHE-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO CC[C@@H](Cn1cc([C@@H]2COCC[NH2+]2)nn1)OC ZINC000641079570 362193150 /nfs/dbraw/zinc/19/31/50/362193150.db2.gz FCYKMKGQIHYOJW-ONGXEEELSA-N 1 2 240.307 0.364 20 0 BCADLO C[N@@H+](Cc1cncnc1)C[C@H](O)C(F)(F)F ZINC000349371460 136343495 /nfs/dbraw/zinc/34/34/95/136343495.db2.gz TUWWPQZTMZNIII-QMMMGPOBSA-N 1 2 235.209 0.832 20 0 BCADLO C[N@H+](Cc1cncnc1)C[C@H](O)C(F)(F)F ZINC000349371460 136343496 /nfs/dbraw/zinc/34/34/96/136343496.db2.gz TUWWPQZTMZNIII-QMMMGPOBSA-N 1 2 235.209 0.832 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000349385336 136343969 /nfs/dbraw/zinc/34/39/69/136343969.db2.gz PZAZLENAIYBVRQ-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO COCC[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641086168 362202609 /nfs/dbraw/zinc/20/26/09/362202609.db2.gz KAZQRMKIGYLYCR-MWLCHTKSSA-N 1 2 240.307 0.537 20 0 BCADLO Cc1ccc([C@H]2COCC[N@@H+]2CCO)o1 ZINC000177734496 346937874 /nfs/dbraw/zinc/93/78/74/346937874.db2.gz WVXULFKDHVJZHQ-SNVBAGLBSA-N 1 2 211.261 0.954 20 0 BCADLO Cc1ccc([C@H]2COCC[N@H+]2CCO)o1 ZINC000177734496 346937877 /nfs/dbraw/zinc/93/78/77/346937877.db2.gz WVXULFKDHVJZHQ-SNVBAGLBSA-N 1 2 211.261 0.954 20 0 BCADLO CC(=O)NCc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641089490 362214124 /nfs/dbraw/zinc/21/41/24/362214124.db2.gz PDHJRVBUIHAYST-UHFFFAOYSA-N 1 2 245.286 0.666 20 0 BCADLO CC[C@@H](Cn1cc(Cn2cc[nH+]c2)nn1)OC ZINC000641082066 362200085 /nfs/dbraw/zinc/20/00/85/362200085.db2.gz UWUIGDXVIKHYBC-NSHDSACASA-N 1 2 235.291 0.948 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1ccnn1CC ZINC000350068996 136353967 /nfs/dbraw/zinc/35/39/67/136353967.db2.gz CLHRYBZYFKFKNE-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000350068996 136353968 /nfs/dbraw/zinc/35/39/68/136353968.db2.gz CLHRYBZYFKFKNE-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCc1nocc1C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000350484148 136361513 /nfs/dbraw/zinc/36/15/13/136361513.db2.gz WRWIIZDHAMHHEH-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000350484148 136361514 /nfs/dbraw/zinc/36/15/14/136361514.db2.gz WRWIIZDHAMHHEH-LLVKDONJSA-N 1 2 237.303 0.947 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351097251 136367543 /nfs/dbraw/zinc/36/75/43/136367543.db2.gz IKSDZOZEYQNJKE-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351097251 136367544 /nfs/dbraw/zinc/36/75/44/136367544.db2.gz IKSDZOZEYQNJKE-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO COC[C@H]([NH2+]CCn1cncn1)C(C)C ZINC000167012480 136367818 /nfs/dbraw/zinc/36/78/18/136367818.db2.gz RKQXLLARHGSWNG-JTQLQIEISA-N 1 2 212.297 0.539 20 0 BCADLO Cc1cnn(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351117902 136367977 /nfs/dbraw/zinc/36/79/77/136367977.db2.gz RDYFFFSNVUWXEV-SRVKXCTJSA-N 1 2 248.330 0.387 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cocn1 ZINC000351183107 136368460 /nfs/dbraw/zinc/36/84/60/136368460.db2.gz LSOZLXXHRLBEQL-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cocn1 ZINC000351183107 136368461 /nfs/dbraw/zinc/36/84/61/136368461.db2.gz LSOZLXXHRLBEQL-CLAHSXSESA-N 1 2 216.306 0.873 20 0 BCADLO c1cc(C[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000351606358 136369705 /nfs/dbraw/zinc/36/97/05/136369705.db2.gz CCLUKRJKQGLYHI-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO c1cc(C[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000351606358 136369706 /nfs/dbraw/zinc/36/97/06/136369706.db2.gz CCLUKRJKQGLYHI-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO OCCCCCc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123144 362230834 /nfs/dbraw/zinc/23/08/34/362230834.db2.gz GIXMDJMMJBSJBY-UHFFFAOYSA-N 1 2 249.318 0.880 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335907601 136371120 /nfs/dbraw/zinc/37/11/20/136371120.db2.gz GYPBKGGBBWYABB-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335907601 136371121 /nfs/dbraw/zinc/37/11/21/136371121.db2.gz GYPBKGGBBWYABB-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)on1 ZINC000274356497 136375270 /nfs/dbraw/zinc/37/52/70/136375270.db2.gz YIWFQBKCUOCPBW-WDEREUQCSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)on1 ZINC000274356497 136375271 /nfs/dbraw/zinc/37/52/71/136375271.db2.gz YIWFQBKCUOCPBW-WDEREUQCSA-N 1 2 240.303 0.955 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000616496264 343480402 /nfs/dbraw/zinc/48/04/02/343480402.db2.gz FJTOHWASGACRLA-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000616496264 343480405 /nfs/dbraw/zinc/48/04/05/343480405.db2.gz FJTOHWASGACRLA-OPRDCNLKSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000616496262 343480572 /nfs/dbraw/zinc/48/05/72/343480572.db2.gz FJTOHWASGACRLA-BBBLOLIVSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000616496262 343480573 /nfs/dbraw/zinc/48/05/73/343480573.db2.gz FJTOHWASGACRLA-BBBLOLIVSA-N 1 2 249.314 0.808 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCO[C@@H](OC)C2)CC1 ZINC000602895028 349812737 /nfs/dbraw/zinc/81/27/37/349812737.db2.gz BABNNOWVFUTXBT-LLVKDONJSA-N 1 2 243.303 0.634 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCO[C@@H](OC)C2)CC1 ZINC000602895028 349812742 /nfs/dbraw/zinc/81/27/42/349812742.db2.gz BABNNOWVFUTXBT-LLVKDONJSA-N 1 2 243.303 0.634 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCO[C@H](OC)C2)CC1 ZINC000602895029 349812760 /nfs/dbraw/zinc/81/27/60/349812760.db2.gz BABNNOWVFUTXBT-NSHDSACASA-N 1 2 243.303 0.634 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCO[C@H](OC)C2)CC1 ZINC000602895029 349812765 /nfs/dbraw/zinc/81/27/65/349812765.db2.gz BABNNOWVFUTXBT-NSHDSACASA-N 1 2 243.303 0.634 20 0 BCADLO CCC[C@@H](CCO)CNC(=O)Cn1cc[nH+]c1 ZINC000310385309 343468994 /nfs/dbraw/zinc/46/89/94/343468994.db2.gz JYCNXHLMRLZCAG-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943830 343472218 /nfs/dbraw/zinc/47/22/18/343472218.db2.gz HRBQBAKULITRJP-SFGNSQDASA-N 1 2 213.277 0.563 20 0 BCADLO C[C@H](C(=O)NC[C@H]1CCCC1=O)[NH+]1CC(C)C1 ZINC000570105070 323050164 /nfs/dbraw/zinc/05/01/64/323050164.db2.gz UORIWDZIXPEDJF-GHMZBOCLSA-N 1 2 238.331 0.812 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1CO ZINC000312694810 343530970 /nfs/dbraw/zinc/53/09/70/343530970.db2.gz XBGAHPCLQDOKDT-UWVGGRQHSA-N 1 2 223.276 0.160 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2csnn2)C1 ZINC000398677415 488222192 /nfs/dbraw/zinc/22/21/92/488222192.db2.gz VXRQEZIQNVERIP-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2csnn2)C1 ZINC000398677415 488222195 /nfs/dbraw/zinc/22/21/95/488222195.db2.gz VXRQEZIQNVERIP-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO Cc1nc(C[NH2+]C[C@H]2COCCN2)cs1 ZINC000083874645 343505078 /nfs/dbraw/zinc/50/50/78/343505078.db2.gz UJSJYZYHTHSNRE-VIFPVBQESA-N 1 2 227.333 0.530 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C ZINC000379570377 343576813 /nfs/dbraw/zinc/57/68/13/343576813.db2.gz GSEICAWBNGKNSO-HTQZYQBOSA-N 1 2 203.282 0.545 20 0 BCADLO COCC[C@@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628290151 346947250 /nfs/dbraw/zinc/94/72/50/346947250.db2.gz WCGLIAGGCVUPTO-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814299 343619175 /nfs/dbraw/zinc/61/91/75/343619175.db2.gz YHMMSVQZXQDNRM-JTQLQIEISA-N 1 2 235.287 0.801 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814299 343619176 /nfs/dbraw/zinc/61/91/76/343619176.db2.gz YHMMSVQZXQDNRM-JTQLQIEISA-N 1 2 235.287 0.801 20 0 BCADLO CN(CC(C)(C)O)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077224660 343672207 /nfs/dbraw/zinc/67/22/07/343672207.db2.gz GZRVQAHIDNSYOJ-UHFFFAOYSA-N 1 2 247.302 0.869 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC(C)C ZINC000087782685 343661370 /nfs/dbraw/zinc/66/13/70/343661370.db2.gz JANVGCNEHLCCJN-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC(C)C ZINC000087782685 343661372 /nfs/dbraw/zinc/66/13/72/343661372.db2.gz JANVGCNEHLCCJN-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000332662800 537799139 /nfs/dbraw/zinc/79/91/39/537799139.db2.gz OZBKKXULVPRRCS-DTORHVGOSA-N 1 2 228.317 0.243 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000332662800 537799150 /nfs/dbraw/zinc/79/91/50/537799150.db2.gz OZBKKXULVPRRCS-DTORHVGOSA-N 1 2 228.317 0.243 20 0 BCADLO O=C(C1CSC1)N1CC(n2cc[nH+]c2)C1 ZINC000631301196 343663539 /nfs/dbraw/zinc/66/35/39/343663539.db2.gz HOHYMBHVCNWPOU-UHFFFAOYSA-N 1 2 223.301 0.629 20 0 BCADLO CC[C@H](COC)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577054690 365795598 /nfs/dbraw/zinc/79/55/98/365795598.db2.gz ILIBEKJKMDHLET-APPZFPTMSA-N 1 2 243.332 0.684 20 0 BCADLO COC[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000582131821 346958000 /nfs/dbraw/zinc/95/80/00/346958000.db2.gz SSLRMQYPSMGOHQ-JTQLQIEISA-N 1 2 244.335 0.106 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2COC[C@H]2C1 ZINC000620144098 343683731 /nfs/dbraw/zinc/68/37/31/343683731.db2.gz IGUGSXVUEMRASQ-NWDGAFQWSA-N 1 2 249.314 0.768 20 0 BCADLO CN1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000492899785 529819529 /nfs/dbraw/zinc/81/95/29/529819529.db2.gz MUHYRVNTCWLLEQ-GQPNGRKGSA-N 1 2 248.286 0.160 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(Cc1ncccn1)C2 ZINC000625434595 343735939 /nfs/dbraw/zinc/73/59/39/343735939.db2.gz BZQBYECFXQLDDO-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO Cn1cnc(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000625435162 343736724 /nfs/dbraw/zinc/73/67/24/343736724.db2.gz NSBDCMRZVCGNEQ-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO Cn1cnc(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000625435162 343736725 /nfs/dbraw/zinc/73/67/25/343736725.db2.gz NSBDCMRZVCGNEQ-UHFFFAOYSA-N 1 2 217.276 0.702 20 0 BCADLO CC[C@@H](NC(=O)Cc1cc[nH]n1)c1[nH]cc[nH+]1 ZINC000140728322 537806197 /nfs/dbraw/zinc/80/61/97/537806197.db2.gz NZCMZZPOOVHVME-SECBINFHSA-N 1 2 233.275 0.943 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000625442008 343741892 /nfs/dbraw/zinc/74/18/92/343741892.db2.gz JOFIFKSUXWDQIS-DTWKUNHWSA-N 1 2 222.292 0.242 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+]1CCn2nnc(CO)c2C1 ZINC000625442008 343741894 /nfs/dbraw/zinc/74/18/94/343741894.db2.gz JOFIFKSUXWDQIS-DTWKUNHWSA-N 1 2 222.292 0.242 20 0 BCADLO CN1CC[N@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000193057657 365797666 /nfs/dbraw/zinc/79/76/66/365797666.db2.gz QQNNMKVRDNPFHE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO CN1CC[N@@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000193057657 365797674 /nfs/dbraw/zinc/79/76/74/365797674.db2.gz QQNNMKVRDNPFHE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO Cn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000048159222 343716360 /nfs/dbraw/zinc/71/63/60/343716360.db2.gz XRFORWIZBUOWJN-UHFFFAOYSA-N 1 2 205.221 0.255 20 0 BCADLO CN1CC[N@H+](CCOc2ccccc2)CC1=O ZINC000119335488 343716977 /nfs/dbraw/zinc/71/69/77/343716977.db2.gz AAIWCCVASWMOPD-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO CN1CC[N@@H+](CCOc2ccccc2)CC1=O ZINC000119335488 343716979 /nfs/dbraw/zinc/71/69/79/343716979.db2.gz AAIWCCVASWMOPD-UHFFFAOYSA-N 1 2 234.299 0.839 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000678270834 488232903 /nfs/dbraw/zinc/23/29/03/488232903.db2.gz AYVPOVRXYHWPNR-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000678270834 488232905 /nfs/dbraw/zinc/23/29/05/488232905.db2.gz AYVPOVRXYHWPNR-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO Cc1cc(NC(=O)NC2(C(N)=O)CC2)cc[nH+]1 ZINC000127482655 343725360 /nfs/dbraw/zinc/72/53/60/343725360.db2.gz NKZXZNYKUPYTGN-UHFFFAOYSA-N 1 2 234.259 0.529 20 0 BCADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](C(N)=O)C1 ZINC000624351356 343729906 /nfs/dbraw/zinc/72/99/06/343729906.db2.gz XSSPGRHWFASGKF-OCAPTIKFSA-N 1 2 221.260 0.766 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](O)C(C)C ZINC000584219212 343773328 /nfs/dbraw/zinc/77/33/28/343773328.db2.gz OMFRSFTXQKKQPC-PWSUYJOCSA-N 1 2 239.319 0.795 20 0 BCADLO CC(C)[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000584207738 343773650 /nfs/dbraw/zinc/77/36/50/343773650.db2.gz NPKMTPWBXUKEOL-JTQLQIEISA-N 1 2 223.276 0.283 20 0 BCADLO CCOCC[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603002234 349854440 /nfs/dbraw/zinc/85/44/40/349854440.db2.gz CBAZBFBYJGFWOY-GFCCVEGCSA-N 1 2 245.319 0.677 20 0 BCADLO CCOCC[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603002234 349854442 /nfs/dbraw/zinc/85/44/42/349854442.db2.gz CBAZBFBYJGFWOY-GFCCVEGCSA-N 1 2 245.319 0.677 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000603033767 349860998 /nfs/dbraw/zinc/86/09/98/349860998.db2.gz SASZDXGDNJCIQC-UHFFFAOYSA-N 1 2 241.291 0.391 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000603033767 349861003 /nfs/dbraw/zinc/86/10/03/349861003.db2.gz SASZDXGDNJCIQC-UHFFFAOYSA-N 1 2 241.291 0.391 20 0 BCADLO COc1ccc[nH+]c1NC[C@H]1CC(=O)N(C)C1 ZINC000624400549 343754171 /nfs/dbraw/zinc/75/41/71/343754171.db2.gz RNKRKZXXXVSSGQ-SECBINFHSA-N 1 2 235.287 0.980 20 0 BCADLO CCS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000064944286 343765785 /nfs/dbraw/zinc/76/57/85/343765785.db2.gz MNUZRPUDVBSDNS-UHFFFAOYSA-N 1 2 243.332 0.587 20 0 BCADLO CN(CC(C)(C)O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493186851 529848252 /nfs/dbraw/zinc/84/82/52/529848252.db2.gz JQKGMBGXGSNQGM-SNAWJCMRSA-N 1 2 223.276 0.652 20 0 BCADLO COC(=O)c1ccoc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094430 349867657 /nfs/dbraw/zinc/86/76/57/349867657.db2.gz WMDJGDQLSSGDID-UFBFGSQYSA-N 1 2 237.255 0.633 20 0 BCADLO COC(=O)c1ccoc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094430 349867662 /nfs/dbraw/zinc/86/76/62/349867662.db2.gz WMDJGDQLSSGDID-UFBFGSQYSA-N 1 2 237.255 0.633 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094182 349867749 /nfs/dbraw/zinc/86/77/49/349867749.db2.gz VRMFRXPOAYTLKD-KWQFWETISA-N 1 2 213.277 0.395 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094182 349867753 /nfs/dbraw/zinc/86/77/53/349867753.db2.gz VRMFRXPOAYTLKD-KWQFWETISA-N 1 2 213.277 0.395 20 0 BCADLO C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000627370375 346985698 /nfs/dbraw/zinc/98/56/98/346985698.db2.gz XJHBVETUFIFBHY-LBPRGKRZSA-N 1 2 235.287 0.721 20 0 BCADLO C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000627370375 346985700 /nfs/dbraw/zinc/98/57/00/346985700.db2.gz XJHBVETUFIFBHY-LBPRGKRZSA-N 1 2 235.287 0.721 20 0 BCADLO Cc1[nH]c(CN2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]c1C ZINC000628291293 346987264 /nfs/dbraw/zinc/98/72/64/346987264.db2.gz WQCBGRWJRVGOAL-URLYPYJESA-N 1 2 221.304 0.697 20 0 BCADLO CCCCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603163237 349880005 /nfs/dbraw/zinc/88/00/05/349880005.db2.gz QGASPEMFHKTXCX-JTQLQIEISA-N 1 2 240.307 0.511 20 0 BCADLO CCCCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603163243 349880121 /nfs/dbraw/zinc/88/01/21/349880121.db2.gz QGASPEMFHKTXCX-SNVBAGLBSA-N 1 2 240.307 0.511 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000570497951 323061189 /nfs/dbraw/zinc/06/11/89/323061189.db2.gz KJZDPIMOLQWVOI-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000570497951 323061190 /nfs/dbraw/zinc/06/11/90/323061190.db2.gz KJZDPIMOLQWVOI-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc[nH]c1 ZINC000179644299 346991586 /nfs/dbraw/zinc/99/15/86/346991586.db2.gz AWPUMULGGYJRSM-QWRGUYRKSA-N 1 2 238.287 0.777 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc[nH]c1 ZINC000179644299 346991591 /nfs/dbraw/zinc/99/15/91/346991591.db2.gz AWPUMULGGYJRSM-QWRGUYRKSA-N 1 2 238.287 0.777 20 0 BCADLO CC[C@H](C)Cn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603194812 349882983 /nfs/dbraw/zinc/88/29/83/349882983.db2.gz GMFKQOGIBXIXNU-WPRPVWTQSA-N 1 2 240.307 0.367 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000179799985 346998031 /nfs/dbraw/zinc/99/80/31/346998031.db2.gz ZGPZPTYDBQIFAT-NSHDSACASA-N 1 2 223.276 0.324 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000179799985 346998032 /nfs/dbraw/zinc/99/80/32/346998032.db2.gz ZGPZPTYDBQIFAT-NSHDSACASA-N 1 2 223.276 0.324 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000595308455 537828400 /nfs/dbraw/zinc/82/84/00/537828400.db2.gz OFQWPPQLXDCHOW-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000595308455 537828405 /nfs/dbraw/zinc/82/84/05/537828405.db2.gz OFQWPPQLXDCHOW-UWVGGRQHSA-N 1 2 243.303 0.428 20 0 BCADLO CCOC(=O)C[N@H+](C[C@@H](COC)OC)C1CC1 ZINC000595308536 537828581 /nfs/dbraw/zinc/82/85/81/537828581.db2.gz JVBPEBVVLIZAMJ-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@@H](COC)OC)C1CC1 ZINC000595308536 537828586 /nfs/dbraw/zinc/82/85/86/537828586.db2.gz JVBPEBVVLIZAMJ-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)c1cncnc1NCc1[nH+]ccn1C ZINC000305908253 343885592 /nfs/dbraw/zinc/88/55/92/343885592.db2.gz CNJOIJBGDMQKQX-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\C1CC1 ZINC000493216844 529910234 /nfs/dbraw/zinc/91/02/34/529910234.db2.gz FBVYVVNRLKECLW-PLNGDYQASA-N 1 2 238.331 0.743 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487400202 529924430 /nfs/dbraw/zinc/92/44/30/529924430.db2.gz SSCXUKGRYAIYTJ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000487400202 529924431 /nfs/dbraw/zinc/92/44/31/529924431.db2.gz SSCXUKGRYAIYTJ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](O)C2(C)C)no1 ZINC000309257445 347006011 /nfs/dbraw/zinc/00/60/11/347006011.db2.gz ARBOQNVFIAXBPM-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](O)C2(C)C)no1 ZINC000309257445 347006015 /nfs/dbraw/zinc/00/60/15/347006015.db2.gz ARBOQNVFIAXBPM-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO COC(=O)[C@@H]([NH3+])Cc1cn(CCC2CC2)nn1 ZINC000603223832 349887969 /nfs/dbraw/zinc/88/79/69/349887969.db2.gz JTGJJDHMKCVFCW-JTQLQIEISA-N 1 2 238.291 0.121 20 0 BCADLO C[N@H+](CN1CC(C)(C)OC1=O)[C@@H]1CCOC1 ZINC000494002717 529940838 /nfs/dbraw/zinc/94/08/38/529940838.db2.gz TVKYQCQJAYCLTB-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO C[N@@H+](CN1CC(C)(C)OC1=O)[C@@H]1CCOC1 ZINC000494002717 529940839 /nfs/dbraw/zinc/94/08/39/529940839.db2.gz TVKYQCQJAYCLTB-SECBINFHSA-N 1 2 228.292 0.895 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000626213278 347017102 /nfs/dbraw/zinc/01/71/02/347017102.db2.gz PVSDNCCPWGLHCP-HWOCKDDLSA-N 1 2 249.314 0.808 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000626213278 347017104 /nfs/dbraw/zinc/01/71/04/347017104.db2.gz PVSDNCCPWGLHCP-HWOCKDDLSA-N 1 2 249.314 0.808 20 0 BCADLO O=C(NC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000135089565 343932614 /nfs/dbraw/zinc/93/26/14/343932614.db2.gz FSCBDQKRKWVIQW-LLVKDONJSA-N 1 2 239.319 0.265 20 0 BCADLO CC(C)[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641188532 362262852 /nfs/dbraw/zinc/26/28/52/362262852.db2.gz RLOVNBXYNRNETN-JTQLQIEISA-N 1 2 226.324 0.919 20 0 BCADLO CC(C)[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641188532 362262854 /nfs/dbraw/zinc/26/28/54/362262854.db2.gz RLOVNBXYNRNETN-JTQLQIEISA-N 1 2 226.324 0.919 20 0 BCADLO C[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000641240356 362297033 /nfs/dbraw/zinc/29/70/33/362297033.db2.gz IFQHQAAWYDSYKT-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO COCC[N@H+](C)Cc1cn(CC(C)(C)O)nn1 ZINC000641210999 362274256 /nfs/dbraw/zinc/27/42/56/362274256.db2.gz SHQYHWVDBLRMOG-UHFFFAOYSA-N 1 2 242.323 0.127 20 0 BCADLO COCC[N@@H+](C)Cc1cn(CC(C)(C)O)nn1 ZINC000641210999 362274259 /nfs/dbraw/zinc/27/42/59/362274259.db2.gz SHQYHWVDBLRMOG-UHFFFAOYSA-N 1 2 242.323 0.127 20 0 BCADLO CC(=O)N1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000408000188 343957909 /nfs/dbraw/zinc/95/79/09/343957909.db2.gz ZXDDGBCXQBPMQU-VIFPVBQESA-N 1 2 236.275 0.069 20 0 BCADLO CC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628118837 343969131 /nfs/dbraw/zinc/96/91/31/343969131.db2.gz MPOPGHGOVKJVQH-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO CCC[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641249197 362323935 /nfs/dbraw/zinc/32/39/35/362323935.db2.gz DUMLWKZTAQBSOY-SNVBAGLBSA-N 1 2 245.348 0.991 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1 ZINC000625743436 344062489 /nfs/dbraw/zinc/06/24/89/344062489.db2.gz XIHOVJBYQFZVHA-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1 ZINC000625743436 344062492 /nfs/dbraw/zinc/06/24/92/344062492.db2.gz XIHOVJBYQFZVHA-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CC(=O)N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641251180 362332978 /nfs/dbraw/zinc/33/29/78/362332978.db2.gz YSHVLMVAXQVSNI-UHFFFAOYSA-N 1 2 235.287 0.242 20 0 BCADLO CC(=O)NCCNc1cc(CO)cc[nH+]1 ZINC000641257048 362333116 /nfs/dbraw/zinc/33/31/16/362333116.db2.gz GYCOWEZTNDEELB-UHFFFAOYSA-N 1 2 209.249 0.122 20 0 BCADLO C[C@@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000641241554 362301725 /nfs/dbraw/zinc/30/17/25/362301725.db2.gz MFBZGYQLFROPRJ-SECBINFHSA-N 1 2 207.277 0.974 20 0 BCADLO CC(=O)N1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641269044 362337093 /nfs/dbraw/zinc/33/70/93/362337093.db2.gz LESMJJREZDOQQJ-UHFFFAOYSA-N 1 2 249.314 0.633 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ncccn1 ZINC000624619102 344105661 /nfs/dbraw/zinc/10/56/61/344105661.db2.gz VIABXHCFCBVNRJ-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ncccn1 ZINC000624619102 344105664 /nfs/dbraw/zinc/10/56/64/344105664.db2.gz VIABXHCFCBVNRJ-SECBINFHSA-N 1 2 208.265 0.219 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)nc1C ZINC000624621100 344106148 /nfs/dbraw/zinc/10/61/48/344106148.db2.gz UCYWYEMRWAHRGQ-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)nc1C ZINC000624621100 344106151 /nfs/dbraw/zinc/10/61/51/344106151.db2.gz UCYWYEMRWAHRGQ-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO CC(C)NC(=O)CNc1cc(CO)cc[nH+]1 ZINC000641265545 362339022 /nfs/dbraw/zinc/33/90/22/362339022.db2.gz NGCBBQJKJXYUOI-UHFFFAOYSA-N 1 2 223.276 0.510 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(F)cn1 ZINC000624620438 344107815 /nfs/dbraw/zinc/10/78/15/344107815.db2.gz DAXFPRQSJIGHLZ-VIFPVBQESA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1ncc(F)cn1 ZINC000624620438 344107818 /nfs/dbraw/zinc/10/78/18/344107818.db2.gz DAXFPRQSJIGHLZ-VIFPVBQESA-N 1 2 226.255 0.358 20 0 BCADLO O=C(CNc1cc[nH+]cc1F)NC1CC1 ZINC000641267569 362340161 /nfs/dbraw/zinc/34/01/61/362340161.db2.gz WMNFSRGGKOABMZ-UHFFFAOYSA-N 1 2 209.224 0.333 20 0 BCADLO Cn1nccc1CNc1cc(CO)cc[nH+]1 ZINC000641282900 362343763 /nfs/dbraw/zinc/34/37/63/362343763.db2.gz IXXBFXLNSMEFSA-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO C[C@H]1C[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641299104 362351187 /nfs/dbraw/zinc/35/11/87/362351187.db2.gz GHZNTSAYAGMCEB-VHSXEESVSA-N 1 2 243.332 0.459 20 0 BCADLO OC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000180406421 347026949 /nfs/dbraw/zinc/02/69/49/347026949.db2.gz WNHSSIZIJHDHRK-UHFFFAOYSA-N 1 2 222.292 0.639 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634737610 344135939 /nfs/dbraw/zinc/13/59/39/344135939.db2.gz VPKPVZLKCQKPSZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634737610 344135940 /nfs/dbraw/zinc/13/59/40/344135940.db2.gz VPKPVZLKCQKPSZ-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000631413105 344151756 /nfs/dbraw/zinc/15/17/56/344151756.db2.gz AECBXOWXNGBMLP-MRTMQBJTSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000631413105 344151759 /nfs/dbraw/zinc/15/17/59/344151759.db2.gz AECBXOWXNGBMLP-MRTMQBJTSA-N 1 2 223.276 0.839 20 0 BCADLO CN(C)C(=O)CCCNc1cc[nH+]cc1F ZINC000641304963 362355303 /nfs/dbraw/zinc/35/53/03/362355303.db2.gz BGUBVMDANQTIFA-UHFFFAOYSA-N 1 2 225.267 0.923 20 0 BCADLO CN(CCN1CCOCC1)c1cc[nH+]cc1F ZINC000641335135 362366384 /nfs/dbraw/zinc/36/63/84/362366384.db2.gz FYQFLRRXQRLYRZ-UHFFFAOYSA-N 1 2 239.294 0.989 20 0 BCADLO CNC(=O)CCN(C)c1cc(CO)cc[nH+]1 ZINC000641338239 362368418 /nfs/dbraw/zinc/36/84/18/362368418.db2.gz QIKBKKSJLRCXGC-UHFFFAOYSA-N 1 2 223.276 0.146 20 0 BCADLO CSCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603271672 349904709 /nfs/dbraw/zinc/90/47/09/349904709.db2.gz BLZPSKBZIZTPDK-UHFFFAOYSA-N 1 2 249.361 0.166 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ncc(C)cc2O)CC1 ZINC000408227604 344264174 /nfs/dbraw/zinc/26/41/74/344264174.db2.gz CONGAYYLRVRNMU-UHFFFAOYSA-N 1 2 249.314 0.873 20 0 BCADLO OCc1cc[nH+]c(NCC2(O)CCC2)c1 ZINC000641363159 362377161 /nfs/dbraw/zinc/37/71/61/362377161.db2.gz PAWLGZOXRPMZLH-UHFFFAOYSA-N 1 2 208.261 0.901 20 0 BCADLO CN(CC(C)(C)CO)C(=O)CCc1[nH]cc[nH+]1 ZINC000622077007 344285377 /nfs/dbraw/zinc/28/53/77/344285377.db2.gz DOMUSIBFLGEEJJ-UHFFFAOYSA-N 1 2 239.319 0.819 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620547653 344242540 /nfs/dbraw/zinc/24/25/40/344242540.db2.gz DPFHXRQWVBHVOZ-XWIASGKRSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000385078788 344317511 /nfs/dbraw/zinc/31/75/11/344317511.db2.gz FVHCECYHQZQRNH-UWVGGRQHSA-N 1 2 223.276 0.255 20 0 BCADLO CC[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577067595 365801311 /nfs/dbraw/zinc/80/13/11/365801311.db2.gz FPWJMPYZWDYGIW-ZJUUUORDSA-N 1 2 225.292 0.721 20 0 BCADLO CCOC(=O)C[C@H](O)COc1cc[nH+]cc1 ZINC000600672353 344352689 /nfs/dbraw/zinc/35/26/89/344352689.db2.gz HHCLOAPMHXIJHJ-VIFPVBQESA-N 1 2 225.244 0.775 20 0 BCADLO C[C@@H](NC(=O)C1CC(=O)C1)c1[nH+]ccn1C ZINC000620602912 344353158 /nfs/dbraw/zinc/35/31/58/344353158.db2.gz COJNZJFFVLGJRN-SSDOTTSWSA-N 1 2 221.260 0.576 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2nc3ccccn3n2)C1 ZINC000094602072 537843729 /nfs/dbraw/zinc/84/37/29/537843729.db2.gz VGHBBACLXRHYGY-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2nc3ccccn3n2)C1 ZINC000094602072 537843740 /nfs/dbraw/zinc/84/37/40/537843740.db2.gz VGHBBACLXRHYGY-JTQLQIEISA-N 1 2 247.302 0.472 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000093050009 344308007 /nfs/dbraw/zinc/30/80/07/344308007.db2.gz USQIRSPIKNTRSQ-LLVKDONJSA-N 1 2 221.304 0.736 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000093050009 344308009 /nfs/dbraw/zinc/30/80/09/344308009.db2.gz USQIRSPIKNTRSQ-LLVKDONJSA-N 1 2 221.304 0.736 20 0 BCADLO CN(c1cc[nH+]cc1F)[C@H]1CCN(C)C1=O ZINC000641385062 362386000 /nfs/dbraw/zinc/38/60/00/362386000.db2.gz LAKSPOWNLHVPMQ-JTQLQIEISA-N 1 2 223.251 0.888 20 0 BCADLO O=S1(=O)CCCN(c2cc[nH+]cc2F)CC1 ZINC000641386387 362386866 /nfs/dbraw/zinc/38/68/66/362386866.db2.gz YKOYLFYGZYTIRG-UHFFFAOYSA-N 1 2 244.291 0.846 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccns1 ZINC000600859779 344383366 /nfs/dbraw/zinc/38/33/66/344383366.db2.gz LVJANOQWKVOKCY-CVXYPUPMSA-N 1 2 228.342 0.848 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccns1 ZINC000600859779 344383367 /nfs/dbraw/zinc/38/33/67/344383367.db2.gz LVJANOQWKVOKCY-CVXYPUPMSA-N 1 2 228.342 0.848 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cn1cc[nH+]c1 ZINC000380706902 344434099 /nfs/dbraw/zinc/43/40/99/344434099.db2.gz MHJZCXKNAJREER-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO COC[C@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641388056 362387947 /nfs/dbraw/zinc/38/79/47/362387947.db2.gz KXMBPZVENCTNII-JTQLQIEISA-N 1 2 226.276 0.383 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccco1 ZINC000041564557 344434604 /nfs/dbraw/zinc/43/46/04/344434604.db2.gz JTJMFYWYOOKIAM-UHFFFAOYSA-N 1 2 205.217 0.943 20 0 BCADLO CN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000048616551 344402832 /nfs/dbraw/zinc/40/28/32/344402832.db2.gz NSNQOWJIQWJREY-UHFFFAOYSA-N 1 2 248.330 0.292 20 0 BCADLO C[C@H](O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000605541302 344406585 /nfs/dbraw/zinc/40/65/85/344406585.db2.gz QQXYJJPXBWNZKB-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(O)cc1 ZINC000168600746 537846302 /nfs/dbraw/zinc/84/63/02/537846302.db2.gz WVXBXGYECNYQKX-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(O)cc1 ZINC000168600746 537846309 /nfs/dbraw/zinc/84/63/09/537846309.db2.gz WVXBXGYECNYQKX-ZWNOBZJWSA-N 1 2 237.299 0.974 20 0 BCADLO CC[C@@H](C(=O)NCc1c[nH+]cn1C)C(=O)OC ZINC000291226865 349911341 /nfs/dbraw/zinc/91/13/41/349911341.db2.gz NGIKBAKCFPJAGT-VIFPVBQESA-N 1 2 239.275 0.236 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H](O)C1CCC1 ZINC000622308089 344490160 /nfs/dbraw/zinc/49/01/60/344490160.db2.gz VCDYVPUHCZAIHL-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000043627008 344528994 /nfs/dbraw/zinc/52/89/94/344528994.db2.gz UFOSCOAEGNVTLL-CIUDSAMLSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000043627703 344529112 /nfs/dbraw/zinc/52/91/12/344529112.db2.gz RVLNHOTYUMASBS-BDAKNGLRSA-N 1 2 211.265 0.423 20 0 BCADLO O=C1CN(c2cc(CO)cc[nH+]2)CCN1C1CC1 ZINC000641417978 362405599 /nfs/dbraw/zinc/40/55/99/362405599.db2.gz ZBDFNUWRZDLPAU-UHFFFAOYSA-N 1 2 247.298 0.385 20 0 BCADLO CNC(=O)C(C)(C)CNc1cc[nH+]cc1F ZINC000641451920 362425496 /nfs/dbraw/zinc/42/54/96/362425496.db2.gz WQAUZCHZBGEGDP-UHFFFAOYSA-N 1 2 225.267 0.827 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000684093424 488266167 /nfs/dbraw/zinc/26/61/67/488266167.db2.gz RZKBOLCXOLGWRZ-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000684093424 488266171 /nfs/dbraw/zinc/26/61/71/488266171.db2.gz RZKBOLCXOLGWRZ-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO Cn1cc([C@@H](CO)Nc2cc[nH+]cc2F)cn1 ZINC000641462258 362436904 /nfs/dbraw/zinc/43/69/04/362436904.db2.gz ILCFQXDJZVAURK-LLVKDONJSA-N 1 2 236.250 0.522 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641469042 362437453 /nfs/dbraw/zinc/43/74/53/362437453.db2.gz GPRVNIAICYKYNB-GHMZBOCLSA-N 1 2 249.314 0.901 20 0 BCADLO COCc1nc(SCc2cn(C)c[nH+]2)n[nH]1 ZINC000641465649 362439100 /nfs/dbraw/zinc/43/91/00/362439100.db2.gz HVECNUNFLQXOOQ-UHFFFAOYSA-N 1 2 239.304 0.977 20 0 BCADLO OCCOCCCNc1cc[nH+]cc1F ZINC000641486129 362456286 /nfs/dbraw/zinc/45/62/86/362456286.db2.gz XALPYTFTZWMVRW-UHFFFAOYSA-N 1 2 214.240 0.454 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]cc2F)CCS1(=O)=O ZINC000641492708 362461066 /nfs/dbraw/zinc/46/10/66/362461066.db2.gz ZTGXDQNGQJBLCG-MRVPVSSYSA-N 1 2 244.291 0.844 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000641512572 362470164 /nfs/dbraw/zinc/47/01/64/362470164.db2.gz IUTOUVWLTCKCTC-ZJUUUORDSA-N 1 2 243.332 0.553 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)CSC)C(C)(C)C ZINC000309426328 347059607 /nfs/dbraw/zinc/05/96/07/347059607.db2.gz FIMTTWGPBMCDOW-DTWKUNHWSA-N 1 2 249.376 0.888 20 0 BCADLO COC[C@H](CO)Nc1cc[nH+]cc1F ZINC000641546491 362493476 /nfs/dbraw/zinc/49/34/76/362493476.db2.gz SASPCUWUOQXWEM-ZETCQYMHSA-N 1 2 200.213 0.062 20 0 BCADLO CC/C=C/CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641520473 362477771 /nfs/dbraw/zinc/47/77/71/362477771.db2.gz GQXQCCBRRWPWCV-ONEGZZNKSA-N 1 2 243.332 0.769 20 0 BCADLO CCN1CCCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641540675 362489248 /nfs/dbraw/zinc/48/92/48/362489248.db2.gz LESFVQZVSVDKDL-UHFFFAOYSA-N 1 2 249.314 0.633 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000625999328 344660955 /nfs/dbraw/zinc/66/09/55/344660955.db2.gz PMMPKEWQWMLHDD-VHSXEESVSA-N 1 2 232.299 0.524 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CCF)C1 ZINC000625999328 344660956 /nfs/dbraw/zinc/66/09/56/344660956.db2.gz PMMPKEWQWMLHDD-VHSXEESVSA-N 1 2 232.299 0.524 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000625998912 344661166 /nfs/dbraw/zinc/66/11/66/344661166.db2.gz CAPHOERZCNWGPL-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000625998912 344661168 /nfs/dbraw/zinc/66/11/68/344661168.db2.gz CAPHOERZCNWGPL-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000171 344661772 /nfs/dbraw/zinc/66/17/72/344661772.db2.gz KPJNDSMBTJDXJY-GXSJLCMTSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000171 344661773 /nfs/dbraw/zinc/66/17/73/344661773.db2.gz KPJNDSMBTJDXJY-GXSJLCMTSA-N 1 2 244.310 0.714 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002558 344662807 /nfs/dbraw/zinc/66/28/07/344662807.db2.gz PXOOCFKTSVNWAJ-RKDXNWHRSA-N 1 2 218.272 0.311 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](CCF)C1 ZINC000626002558 344662808 /nfs/dbraw/zinc/66/28/08/344662808.db2.gz PXOOCFKTSVNWAJ-RKDXNWHRSA-N 1 2 218.272 0.311 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@H](CCF)C1)C1CC1 ZINC000626002135 344662848 /nfs/dbraw/zinc/66/28/48/344662848.db2.gz HKKTWQAFZPXNCD-LLVKDONJSA-N 1 2 244.310 0.668 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@H](CCF)C1)C1CC1 ZINC000626002135 344662849 /nfs/dbraw/zinc/66/28/49/344662849.db2.gz HKKTWQAFZPXNCD-LLVKDONJSA-N 1 2 244.310 0.668 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626003077 344663837 /nfs/dbraw/zinc/66/38/37/344663837.db2.gz ZNABQJOIVXISRQ-NXEZZACHSA-N 1 2 230.283 0.278 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626003077 344663839 /nfs/dbraw/zinc/66/38/39/344663839.db2.gz ZNABQJOIVXISRQ-NXEZZACHSA-N 1 2 230.283 0.278 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@@H](CCF)C1 ZINC000626004216 344666070 /nfs/dbraw/zinc/66/60/70/344666070.db2.gz BQFLXZCBDHIXNX-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626004216 344666073 /nfs/dbraw/zinc/66/60/73/344666073.db2.gz BQFLXZCBDHIXNX-UWVGGRQHSA-N 1 2 230.283 0.325 20 0 BCADLO O[C@H](C[N@@H+]1CCO[C@H](CCF)C1)C(F)(F)F ZINC000626004804 344666830 /nfs/dbraw/zinc/66/68/30/344666830.db2.gz OVFVYBSMJUHXPA-HTQZYQBOSA-N 1 2 245.216 0.970 20 0 BCADLO O[C@H](C[N@H+]1CCO[C@H](CCF)C1)C(F)(F)F ZINC000626004804 344666831 /nfs/dbraw/zinc/66/68/31/344666831.db2.gz OVFVYBSMJUHXPA-HTQZYQBOSA-N 1 2 245.216 0.970 20 0 BCADLO O[C@@H](C[N@@H+]1CCO[C@@H](CCF)C1)C(F)(F)F ZINC000626004807 344666853 /nfs/dbraw/zinc/66/68/53/344666853.db2.gz OVFVYBSMJUHXPA-YUMQZZPRSA-N 1 2 245.216 0.970 20 0 BCADLO O[C@@H](C[N@H+]1CCO[C@@H](CCF)C1)C(F)(F)F ZINC000626004807 344666854 /nfs/dbraw/zinc/66/68/54/344666854.db2.gz OVFVYBSMJUHXPA-YUMQZZPRSA-N 1 2 245.216 0.970 20 0 BCADLO C[C@H](O)CN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000518782921 259378602 /nfs/dbraw/zinc/37/86/02/259378602.db2.gz QTQWFUTUWLXLEB-QMMMGPOBSA-N 1 2 247.245 0.358 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026130 344679252 /nfs/dbraw/zinc/67/92/52/344679252.db2.gz XJZGHWZBNWCNMM-UHFFFAOYSA-N 1 2 220.272 0.496 20 0 BCADLO CNC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026130 344679254 /nfs/dbraw/zinc/67/92/54/344679254.db2.gz XJZGHWZBNWCNMM-UHFFFAOYSA-N 1 2 220.272 0.496 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000050067844 344719280 /nfs/dbraw/zinc/71/92/80/344719280.db2.gz DHRVEGJAJHMPQZ-UHFFFAOYSA-N 1 2 213.237 0.373 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000050067844 344719282 /nfs/dbraw/zinc/71/92/82/344719282.db2.gz DHRVEGJAJHMPQZ-UHFFFAOYSA-N 1 2 213.237 0.373 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)C1O ZINC000618268406 344719755 /nfs/dbraw/zinc/71/97/55/344719755.db2.gz CWLDGXJWESNSIL-NXEZZACHSA-N 1 2 237.303 0.358 20 0 BCADLO CCc1nc(C[N@H+](CCO)C(C)C)no1 ZINC000050103883 344719925 /nfs/dbraw/zinc/71/99/25/344719925.db2.gz QGJZIXMVACGELW-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000050103883 344719927 /nfs/dbraw/zinc/71/99/27/344719927.db2.gz QGJZIXMVACGELW-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626075888 344719953 /nfs/dbraw/zinc/71/99/53/344719953.db2.gz YBRADWSAXFTXQK-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626075888 344719955 /nfs/dbraw/zinc/71/99/55/344719955.db2.gz YBRADWSAXFTXQK-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)n1 ZINC000626076071 344723018 /nfs/dbraw/zinc/72/30/18/344723018.db2.gz DIKPDCUZUYCTMF-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)n1 ZINC000626076071 344723019 /nfs/dbraw/zinc/72/30/19/344723019.db2.gz DIKPDCUZUYCTMF-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)on1 ZINC000626076491 344723288 /nfs/dbraw/zinc/72/32/88/344723288.db2.gz NYHDABFPLTUQBI-VIFPVBQESA-N 1 2 239.275 0.059 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)on1 ZINC000626076491 344723290 /nfs/dbraw/zinc/72/32/90/344723290.db2.gz NYHDABFPLTUQBI-VIFPVBQESA-N 1 2 239.275 0.059 20 0 BCADLO NC(=O)C[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000626080372 344726456 /nfs/dbraw/zinc/72/64/56/344726456.db2.gz FYFCXHHIBBJTAE-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO NC(=O)C[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000626080372 344726464 /nfs/dbraw/zinc/72/64/64/344726464.db2.gz FYFCXHHIBBJTAE-NSHDSACASA-N 1 2 235.287 0.158 20 0 BCADLO CCc1noc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000626036146 344687615 /nfs/dbraw/zinc/68/76/15/344687615.db2.gz QQUNCEZYYBYNKA-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000626036146 344687616 /nfs/dbraw/zinc/68/76/16/344687616.db2.gz QQUNCEZYYBYNKA-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO CC[NH+]1CCN(C(=O)CCC(C)=O)CC1 ZINC000049815171 344692120 /nfs/dbraw/zinc/69/21/20/344692120.db2.gz QDPSFNJTNRTRGZ-UHFFFAOYSA-N 1 2 212.293 0.520 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672965350 488270613 /nfs/dbraw/zinc/27/06/13/488270613.db2.gz JXGVGVCRGQWMEX-JTQLQIEISA-N 1 2 223.276 0.210 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000259867641 344696597 /nfs/dbraw/zinc/69/65/97/344696597.db2.gz CGVMEFNAJXEVEV-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000259867641 344696598 /nfs/dbraw/zinc/69/65/98/344696598.db2.gz CGVMEFNAJXEVEV-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO C[C@H](NC(=O)c1cnccn1)c1[nH+]ccn1C ZINC000082279144 344713620 /nfs/dbraw/zinc/71/36/20/344713620.db2.gz DAXMTSFRIWKNCQ-QMMMGPOBSA-N 1 2 231.259 0.701 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCCC(=O)OC ZINC000050065057 344718698 /nfs/dbraw/zinc/71/86/98/344718698.db2.gz HQSJSKURXMXEDZ-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCCC(=O)OC ZINC000050065057 344718702 /nfs/dbraw/zinc/71/87/02/344718702.db2.gz HQSJSKURXMXEDZ-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000387768493 347072921 /nfs/dbraw/zinc/07/29/21/347072921.db2.gz FIFYBNWEQDIJBB-QMMMGPOBSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000387768493 347072923 /nfs/dbraw/zinc/07/29/23/347072923.db2.gz FIFYBNWEQDIJBB-QMMMGPOBSA-N 1 2 210.281 0.316 20 0 BCADLO CN(Cc1nccn1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493665110 530027124 /nfs/dbraw/zinc/02/71/24/530027124.db2.gz SNUHLAMIKWTQMT-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(F)C1 ZINC000673044454 488271957 /nfs/dbraw/zinc/27/19/57/488271957.db2.gz STCDHRJEFMTEQR-NSHDSACASA-N 1 2 225.267 0.923 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2c[nH+]cn2C)c1C ZINC000291281821 537860100 /nfs/dbraw/zinc/86/01/00/537860100.db2.gz QYSZEOZVDMEJML-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CO ZINC000623037461 347074966 /nfs/dbraw/zinc/07/49/66/347074966.db2.gz NPCYVKDUKNJWDP-WDEREUQCSA-N 1 2 237.303 0.360 20 0 BCADLO CNC(=O)C[NH+](CCC(C)(C)C)CC(=O)NC ZINC000075828080 344792378 /nfs/dbraw/zinc/79/23/78/344792378.db2.gz YXDAUWANIIWCRZ-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO COc1ccc(OC)c(C[N@H+](C)CC(N)=O)c1 ZINC000076651306 344805299 /nfs/dbraw/zinc/80/52/99/344805299.db2.gz KSMRUVMYQNKCKB-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO COc1ccc(OC)c(C[N@@H+](C)CC(N)=O)c1 ZINC000076651306 344805301 /nfs/dbraw/zinc/80/53/01/344805301.db2.gz KSMRUVMYQNKCKB-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1cccn1 ZINC000076812486 344806820 /nfs/dbraw/zinc/80/68/20/344806820.db2.gz INXTYGYFURRQQQ-GLKRBJQHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1cccn1 ZINC000076812486 344806821 /nfs/dbraw/zinc/80/68/21/344806821.db2.gz INXTYGYFURRQQQ-GLKRBJQHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@H](Nc1cc[nH+]cc1F)c1ncnn1C ZINC000641547450 362495399 /nfs/dbraw/zinc/49/53/99/362495399.db2.gz PFUMVNTZVVKXSB-ZETCQYMHSA-N 1 2 221.239 0.944 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387776102 347081492 /nfs/dbraw/zinc/08/14/92/347081492.db2.gz GWHFUYIYWTYWSY-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387776102 347081497 /nfs/dbraw/zinc/08/14/97/347081497.db2.gz GWHFUYIYWTYWSY-VIFPVBQESA-N 1 2 224.308 0.501 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@@H](C)CO)s1 ZINC000678624738 488273447 /nfs/dbraw/zinc/27/34/47/488273447.db2.gz ORUGVAPQOWMTMP-SSDOTTSWSA-N 1 2 215.322 0.907 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@@H](C)CO)s1 ZINC000678624738 488273448 /nfs/dbraw/zinc/27/34/48/488273448.db2.gz ORUGVAPQOWMTMP-SSDOTTSWSA-N 1 2 215.322 0.907 20 0 BCADLO C[C@H](NC(=O)COCC(F)F)c1[nH+]ccn1C ZINC000628149003 344835524 /nfs/dbraw/zinc/83/55/24/344835524.db2.gz IYVKYRJZWXTCJH-ZETCQYMHSA-N 1 2 247.245 0.879 20 0 BCADLO Cc1nc(NCCN2C(=O)CCC2=O)cc[nH+]1 ZINC000078259495 344839577 /nfs/dbraw/zinc/83/95/77/344839577.db2.gz QWKSDXYJDYGHNM-UHFFFAOYSA-N 1 2 234.259 0.346 20 0 BCADLO Cn1cc([C@@H](O)CNc2cccc[nH+]2)cn1 ZINC000078375222 344856221 /nfs/dbraw/zinc/85/62/21/344856221.db2.gz ZSYZDQJPXLUHSR-JTQLQIEISA-N 1 2 218.260 0.961 20 0 BCADLO C[C@H](CC(=O)Nc1ccncc1O)n1cc[nH+]c1 ZINC000582126443 344843258 /nfs/dbraw/zinc/84/32/58/344843258.db2.gz DHOZSTLCRSZHBU-SECBINFHSA-N 1 2 246.270 0.995 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)[C@@H]2C(C)C)[nH+]1 ZINC000628162810 344861686 /nfs/dbraw/zinc/86/16/86/344861686.db2.gz FHYYRZDDHXZSSX-NSHDSACASA-N 1 2 236.319 0.675 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628163073 344861793 /nfs/dbraw/zinc/86/17/93/344861793.db2.gz ORMVKYSKJMZZCG-JTQLQIEISA-N 1 2 236.319 0.737 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628162812 344861860 /nfs/dbraw/zinc/86/18/60/344861860.db2.gz FNCQIBNDHCWDMY-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H](C)CS(C)(=O)=O)[nH+]1 ZINC000628174748 344896350 /nfs/dbraw/zinc/89/63/50/344896350.db2.gz VPSUFSFBQOMYNB-VIFPVBQESA-N 1 2 245.348 0.583 20 0 BCADLO CC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)[C@H](C)C1 ZINC000628179116 344914318 /nfs/dbraw/zinc/91/43/18/344914318.db2.gz OIHGLFXZQPFPIX-SNVBAGLBSA-N 1 2 236.319 0.771 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628179562 344915606 /nfs/dbraw/zinc/91/56/06/344915606.db2.gz FBJDALJWDQFCGD-SNVBAGLBSA-N 1 2 225.292 0.565 20 0 BCADLO COC[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000628179503 344915815 /nfs/dbraw/zinc/91/58/15/344915815.db2.gz CGJKIPNCIXBWFE-NSHDSACASA-N 1 2 239.319 0.874 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000628190568 344944451 /nfs/dbraw/zinc/94/44/51/344944451.db2.gz JYCWDAYJJWBUMG-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000628190568 344944452 /nfs/dbraw/zinc/94/44/52/344944452.db2.gz JYCWDAYJJWBUMG-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1c[nH]c(CN2C[C@@H](CO)OC[C@@H]2C)[nH+]1 ZINC000628191033 344944454 /nfs/dbraw/zinc/94/44/54/344944454.db2.gz XRNSWFQDRNZNQA-UWVGGRQHSA-N 1 2 225.292 0.300 20 0 BCADLO COC(=O)C[N@H+](CCC(=O)OC(C)C)C1CC1 ZINC000079500373 344981333 /nfs/dbraw/zinc/98/13/33/344981333.db2.gz GVIFGSNFKSYWFP-UHFFFAOYSA-N 1 2 243.303 0.966 20 0 BCADLO COC(=O)C[N@@H+](CCC(=O)OC(C)C)C1CC1 ZINC000079500373 344981335 /nfs/dbraw/zinc/98/13/35/344981335.db2.gz GVIFGSNFKSYWFP-UHFFFAOYSA-N 1 2 243.303 0.966 20 0 BCADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC(=O)N1C ZINC000641556182 362500623 /nfs/dbraw/zinc/50/06/23/362500623.db2.gz WKCDTPARHPLULO-MRVPVSSYSA-N 1 2 223.251 0.888 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)CC1(C)C ZINC000641593669 362535557 /nfs/dbraw/zinc/53/55/57/362535557.db2.gz VKINVYVSHJYPAI-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)C2(C)CC2)CC1(C)C ZINC000641593669 362535561 /nfs/dbraw/zinc/53/55/61/362535561.db2.gz VKINVYVSHJYPAI-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO NC(=O)C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641599705 362540402 /nfs/dbraw/zinc/54/04/02/362540402.db2.gz YTWWNKUUOQSHCK-VIFPVBQESA-N 1 2 235.287 0.276 20 0 BCADLO Cc1cncc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000079954554 345063812 /nfs/dbraw/zinc/06/38/12/345063812.db2.gz WFJSYYQXWRJGGE-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cncc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000079954554 345063813 /nfs/dbraw/zinc/06/38/13/345063813.db2.gz WFJSYYQXWRJGGE-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc[nH+]cc1F ZINC000641647683 362574104 /nfs/dbraw/zinc/57/41/04/362574104.db2.gz BNJPGCKVGFXLPP-ZETCQYMHSA-N 1 2 209.224 0.845 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCSC[C@@H]2C(N)=O)O1 ZINC000408305363 345097314 /nfs/dbraw/zinc/09/73/14/345097314.db2.gz JIOSGTZQFVNNGY-KXUCPTDWSA-N 1 2 244.360 0.457 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCSC[C@@H]2C(N)=O)O1 ZINC000408305363 345097317 /nfs/dbraw/zinc/09/73/17/345097317.db2.gz JIOSGTZQFVNNGY-KXUCPTDWSA-N 1 2 244.360 0.457 20 0 BCADLO CO[C@@](C)(CO)CNc1cc[nH+]cc1F ZINC000641655359 362578567 /nfs/dbraw/zinc/57/85/67/362578567.db2.gz IZRPUJADMQWBKU-SNVBAGLBSA-N 1 2 214.240 0.452 20 0 BCADLO OCc1cc[nH+]c(N2CCO[C@H](CF)C2)c1 ZINC000641630792 362561845 /nfs/dbraw/zinc/56/18/45/362561845.db2.gz BSDWXGMMDDCMJR-SNVBAGLBSA-N 1 2 226.251 0.749 20 0 BCADLO C/C=C\CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641631736 362563387 /nfs/dbraw/zinc/56/33/87/362563387.db2.gz JXQJOGDBAGKBPJ-IHWYPQMZSA-N 1 2 229.305 0.379 20 0 BCADLO C[C@@H](O)[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641638371 362566375 /nfs/dbraw/zinc/56/63/75/362566375.db2.gz OXMMXLYYUGBCCJ-KCJUWKMLSA-N 1 2 226.251 0.807 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N(C)CC2CC2)[C@H]1C ZINC000156223812 345139979 /nfs/dbraw/zinc/13/99/79/345139979.db2.gz PFZOOCVEBAZCEF-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N(C)CC2CC2)[C@H]1C ZINC000156223812 345139982 /nfs/dbraw/zinc/13/99/82/345139982.db2.gz PFZOOCVEBAZCEF-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156261140 345142871 /nfs/dbraw/zinc/14/28/71/345142871.db2.gz OVCACNITJYOCQH-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156261140 345142872 /nfs/dbraw/zinc/14/28/72/345142872.db2.gz OVCACNITJYOCQH-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccon1 ZINC000634983340 345160535 /nfs/dbraw/zinc/16/05/35/345160535.db2.gz LEGCRWXHTCKQKX-NXEZZACHSA-N 1 2 212.249 0.568 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000635056811 345230966 /nfs/dbraw/zinc/23/09/66/345230966.db2.gz KYEUFTZXEMZVJN-SNVBAGLBSA-N 1 2 228.336 0.558 20 0 BCADLO Cc1cn2ccc(C(=O)N[C@H](C)C(N)=O)cc2[nH+]1 ZINC000635158096 345261263 /nfs/dbraw/zinc/26/12/63/345261263.db2.gz PEHOBDJHVVEIGJ-MRVPVSSYSA-N 1 2 246.270 0.246 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2cc[nH]n2)[nH+]1 ZINC000635290265 345295347 /nfs/dbraw/zinc/29/53/47/345295347.db2.gz KZAZHZZWWMTDNP-UHFFFAOYSA-N 1 2 233.275 0.554 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635327430 345308353 /nfs/dbraw/zinc/30/83/53/345308353.db2.gz WAOQDHAPLCVYEL-BBBLOLIVSA-N 1 2 223.276 0.159 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1C ZINC000132784299 345344952 /nfs/dbraw/zinc/34/49/52/345344952.db2.gz VJJYOVRQHVCAOQ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1C ZINC000132784299 345344955 /nfs/dbraw/zinc/34/49/55/345344955.db2.gz VJJYOVRQHVCAOQ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635407266 345350974 /nfs/dbraw/zinc/35/09/74/345350974.db2.gz SDHCBHDOVDYJFP-DTORHVGOSA-N 1 2 235.287 0.857 20 0 BCADLO CN(C)C(=O)CSCc1cn(C)c[nH+]1 ZINC000603336187 349926980 /nfs/dbraw/zinc/92/69/80/349926980.db2.gz QEGYNLSMLIRRCL-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000635456745 345378500 /nfs/dbraw/zinc/37/85/00/345378500.db2.gz RTJVQILSLWQHFZ-KLPPZKSPSA-N 1 2 249.314 0.818 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)[nH]1 ZINC000159126038 345410684 /nfs/dbraw/zinc/41/06/84/345410684.db2.gz JLYWJXNZZDEBMN-SECBINFHSA-N 1 2 239.323 0.357 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000635497015 345399210 /nfs/dbraw/zinc/39/92/10/345399210.db2.gz VKQAQFSMNRXVGS-SDDRHHMPSA-N 1 2 249.314 0.818 20 0 BCADLO CCc1c[nH]c(CC(=O)NCc2cocn2)[nH+]1 ZINC000635539384 345510509 /nfs/dbraw/zinc/51/05/09/345510509.db2.gz PGXUWEGJBOCUNQ-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCCc1nn[nH]n1 ZINC000635536415 345492135 /nfs/dbraw/zinc/49/21/35/345492135.db2.gz UUZDWSXPAOJYES-UHFFFAOYSA-N 1 2 246.274 0.286 20 0 BCADLO CN(Cc1cn(C)nn1)c1cc[nH+]cc1F ZINC000641659408 362584454 /nfs/dbraw/zinc/58/44/54/362584454.db2.gz ONDFAUMNTLLBLR-UHFFFAOYSA-N 1 2 221.239 0.986 20 0 BCADLO COCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000082276414 345500723 /nfs/dbraw/zinc/50/07/23/345500723.db2.gz DQGINFXZTCLUDI-JTQLQIEISA-N 1 2 223.276 0.634 20 0 BCADLO Fc1c[nH+]ccc1N1CCn2nncc2C1 ZINC000641655623 362586790 /nfs/dbraw/zinc/58/67/90/362586790.db2.gz SMGHQVDLOALNET-UHFFFAOYSA-N 1 2 219.223 0.832 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083444252 345506522 /nfs/dbraw/zinc/50/65/22/345506522.db2.gz SALXDKDQFNUVHA-MRVPVSSYSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000085898932 345536009 /nfs/dbraw/zinc/53/60/09/345536009.db2.gz DRHSAWLXDSLIRD-UHFFFAOYSA-N 1 2 238.291 0.219 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085898932 345536010 /nfs/dbraw/zinc/53/60/10/345536010.db2.gz DRHSAWLXDSLIRD-UHFFFAOYSA-N 1 2 238.291 0.219 20 0 BCADLO CCOC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091577662 345598444 /nfs/dbraw/zinc/59/84/44/345598444.db2.gz GHXYBBRRGKHVDK-VIFPVBQESA-N 1 2 240.307 0.347 20 0 BCADLO CCOC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091577662 345598446 /nfs/dbraw/zinc/59/84/46/345598446.db2.gz GHXYBBRRGKHVDK-VIFPVBQESA-N 1 2 240.307 0.347 20 0 BCADLO COC1CCC([N@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091578187 345598914 /nfs/dbraw/zinc/59/89/14/345598914.db2.gz CWKKNYAZOHNAFL-UHFFFAOYSA-N 1 2 240.307 0.487 20 0 BCADLO COC1CCC([N@@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091578187 345598917 /nfs/dbraw/zinc/59/89/17/345598917.db2.gz CWKKNYAZOHNAFL-UHFFFAOYSA-N 1 2 240.307 0.487 20 0 BCADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000091590473 345600302 /nfs/dbraw/zinc/60/03/02/345600302.db2.gz FOLGZUGCOFSBLS-UHFFFAOYSA-N 1 2 228.321 0.838 20 0 BCADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000091590473 345600304 /nfs/dbraw/zinc/60/03/04/345600304.db2.gz FOLGZUGCOFSBLS-UHFFFAOYSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092198958 345606587 /nfs/dbraw/zinc/60/65/87/345606587.db2.gz DNZOBYIAHYYULL-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092216929 345608153 /nfs/dbraw/zinc/60/81/53/345608153.db2.gz HIIOMRGVDBOQSW-VHSXEESVSA-N 1 2 237.303 0.804 20 0 BCADLO Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092007700 345614815 /nfs/dbraw/zinc/61/48/15/345614815.db2.gz PSXZEUWCLNAAKI-KOLCDFICSA-N 1 2 238.287 0.663 20 0 BCADLO Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092007700 345614816 /nfs/dbraw/zinc/61/48/16/345614816.db2.gz PSXZEUWCLNAAKI-KOLCDFICSA-N 1 2 238.287 0.663 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042623 345614851 /nfs/dbraw/zinc/61/48/51/345614851.db2.gz GYBXBUTVANGFNP-KWQFWETISA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042623 345614853 /nfs/dbraw/zinc/61/48/53/345614853.db2.gz GYBXBUTVANGFNP-KWQFWETISA-N 1 2 225.292 0.300 20 0 BCADLO COC(=O)[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000600978199 345615521 /nfs/dbraw/zinc/61/55/21/345615521.db2.gz DMUPYJFWAKVYGO-MRVPVSSYSA-N 1 2 235.247 0.257 20 0 BCADLO Cc1cccnc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000093216831 345659115 /nfs/dbraw/zinc/65/91/15/345659115.db2.gz FQDSTEKOVUGABF-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@H]2C[C@@]2(O)C1 ZINC000641714157 362621573 /nfs/dbraw/zinc/62/15/73/362621573.db2.gz VLWAQSHOFOPYPE-LDYMZIIASA-N 1 2 221.260 0.365 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@H]3C[C@@]3(O)C2)[nH+]1 ZINC000641711472 362621970 /nfs/dbraw/zinc/62/19/70/362621970.db2.gz CZHDSWZTZQFPMJ-PRHODGIISA-N 1 2 230.271 0.837 20 0 BCADLO NC(=O)C[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641679005 362601227 /nfs/dbraw/zinc/60/12/27/362601227.db2.gz ADIBCBJBMSGIJW-MRVPVSSYSA-N 1 2 239.250 0.301 20 0 BCADLO Cc1ccc(Cn2ccc(=O)n(C)c2=O)c(C)[nH+]1 ZINC000641729997 362645569 /nfs/dbraw/zinc/64/55/69/362645569.db2.gz DGQCYUBIABHCKC-UHFFFAOYSA-N 1 2 245.282 0.607 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1occc1C ZINC000093441496 345670487 /nfs/dbraw/zinc/67/04/87/345670487.db2.gz FQNUOACJQRRFAZ-UWVGGRQHSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1occc1C ZINC000093441496 345670489 /nfs/dbraw/zinc/67/04/89/345670489.db2.gz FQNUOACJQRRFAZ-UWVGGRQHSA-N 1 2 239.271 0.696 20 0 BCADLO CO[C@@H](C)Cn1cc[nH+]c1CN1CCOCC1 ZINC000641726813 362647076 /nfs/dbraw/zinc/64/70/76/362647076.db2.gz STSOJAJTWPRIKH-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC000093483438 345674105 /nfs/dbraw/zinc/67/41/05/345674105.db2.gz WZRFHYNAHMXAQB-OCAPTIKFSA-N 1 2 217.652 0.470 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC000093483438 345674108 /nfs/dbraw/zinc/67/41/08/345674108.db2.gz WZRFHYNAHMXAQB-OCAPTIKFSA-N 1 2 217.652 0.470 20 0 BCADLO c1cn(Cc2ccon2)c(CN2CCOCC2)[nH+]1 ZINC000641721682 362637794 /nfs/dbraw/zinc/63/77/94/362637794.db2.gz CYXXHXFKHHUEQQ-UHFFFAOYSA-N 1 2 248.286 0.752 20 0 BCADLO Cc1ccc([C@H](O)C[N@@H+]2CCNC(=O)C2)cc1 ZINC000266378440 178913344 /nfs/dbraw/zinc/91/33/44/178913344.db2.gz AMJIOHONNQUVPC-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)C2)cc1 ZINC000266378440 178913345 /nfs/dbraw/zinc/91/33/45/178913345.db2.gz AMJIOHONNQUVPC-GFCCVEGCSA-N 1 2 234.299 0.460 20 0 BCADLO C[C@@H](CC(C)(C)O)NC(=O)Cc1c[nH+]cn1C ZINC000622642168 345713823 /nfs/dbraw/zinc/71/38/23/345713823.db2.gz UEAFREJMNHTLMB-VIFPVBQESA-N 1 2 239.319 0.628 20 0 BCADLO CO[C@@H]1CN(c2cccc[nH+]2)C[C@H]1OC ZINC000148769307 345719977 /nfs/dbraw/zinc/71/99/77/345719977.db2.gz BELJBTMJCWCPBR-NXEZZACHSA-N 1 2 208.261 0.932 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCSCC1 ZINC000201184789 345730048 /nfs/dbraw/zinc/73/00/48/345730048.db2.gz GCKMORRXWLVKGB-UHFFFAOYSA-N 1 2 211.290 0.459 20 0 BCADLO O=C(NCC1(O)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635561136 345764103 /nfs/dbraw/zinc/76/41/03/345764103.db2.gz ROJUINBNTUFGRR-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO O=C(NCC1(O)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635561136 345764106 /nfs/dbraw/zinc/76/41/06/345764106.db2.gz ROJUINBNTUFGRR-NXEZZACHSA-N 1 2 249.314 0.935 20 0 BCADLO COC(=O)c1cc(N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000603404644 349938753 /nfs/dbraw/zinc/93/87/53/349938753.db2.gz LXKKZPLJOIOPHU-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1cc(N(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000603404644 349938757 /nfs/dbraw/zinc/93/87/57/349938757.db2.gz LXKKZPLJOIOPHU-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC1 ZINC000170837072 345872005 /nfs/dbraw/zinc/87/20/05/345872005.db2.gz VWCSAMBMKFTDQS-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC1 ZINC000170837072 345872009 /nfs/dbraw/zinc/87/20/09/345872009.db2.gz VWCSAMBMKFTDQS-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO O=C(Cc1ccco1)NCCc1[nH]cc[nH+]1 ZINC000340530816 537920906 /nfs/dbraw/zinc/92/09/06/537920906.db2.gz CFBULRKPZZPKQG-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635629978 345904312 /nfs/dbraw/zinc/90/43/12/345904312.db2.gz MNADYUADZGLBCQ-BREBYQMCSA-N 1 2 249.314 0.790 20 0 BCADLO C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635629978 345904314 /nfs/dbraw/zinc/90/43/14/345904314.db2.gz MNADYUADZGLBCQ-BREBYQMCSA-N 1 2 249.314 0.790 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000635633730 345908083 /nfs/dbraw/zinc/90/80/83/345908083.db2.gz IKSHKMVPFUVWSG-LMLFDSFASA-N 1 2 247.298 0.903 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000635633730 345908086 /nfs/dbraw/zinc/90/80/86/345908086.db2.gz IKSHKMVPFUVWSG-LMLFDSFASA-N 1 2 247.298 0.903 20 0 BCADLO CN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635635027 345909471 /nfs/dbraw/zinc/90/94/71/345909471.db2.gz GPOQQCRSPHYYTQ-RKDXNWHRSA-N 1 2 237.303 0.743 20 0 BCADLO CN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635635027 345909472 /nfs/dbraw/zinc/90/94/72/345909472.db2.gz GPOQQCRSPHYYTQ-RKDXNWHRSA-N 1 2 237.303 0.743 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CC(C)(C)O)[nH+]1 ZINC000635635936 345911065 /nfs/dbraw/zinc/91/10/65/345911065.db2.gz QXFIKHFLOBFZAJ-UHFFFAOYSA-N 1 2 239.319 0.744 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](O)C2)[nH+]1 ZINC000635637921 345912358 /nfs/dbraw/zinc/91/23/58/345912358.db2.gz OPXZBWLHUCGKPG-SECBINFHSA-N 1 2 223.276 0.108 20 0 BCADLO CC1(C)CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000279064287 345931989 /nfs/dbraw/zinc/93/19/89/345931989.db2.gz JCHLCMPIIDVRHO-LURJTMIESA-N 1 2 242.710 0.919 20 0 BCADLO CC1(C)CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000279064287 345931994 /nfs/dbraw/zinc/93/19/94/345931994.db2.gz JCHLCMPIIDVRHO-LURJTMIESA-N 1 2 242.710 0.919 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](O)C2CC2)[nH+]1 ZINC000635682088 345976101 /nfs/dbraw/zinc/97/61/01/345976101.db2.gz QBYFSURXMKDVEH-SNVBAGLBSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635693394 345978198 /nfs/dbraw/zinc/97/81/98/345978198.db2.gz ZQZNMNQPQWFZDJ-IWSPIJDZSA-N 1 2 223.276 0.258 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635693394 345978203 /nfs/dbraw/zinc/97/82/03/345978203.db2.gz ZQZNMNQPQWFZDJ-IWSPIJDZSA-N 1 2 223.276 0.258 20 0 BCADLO CC(C)C[C@@H](C(=O)N1CC(O)C1)n1cc[nH+]c1 ZINC000635700940 345989306 /nfs/dbraw/zinc/98/93/06/345989306.db2.gz VJJUHJKQGFZVKU-NSHDSACASA-N 1 2 237.303 0.673 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635705204 345991728 /nfs/dbraw/zinc/99/17/28/345991728.db2.gz VANXUDZMVNXKIS-PHIMTYICSA-N 1 2 237.303 0.503 20 0 BCADLO CC[C@H](C[N@@H+]1CCn2nnc(CO)c2C1)OC ZINC000563215158 323102881 /nfs/dbraw/zinc/10/28/81/323102881.db2.gz DUHITSWIUMZYGA-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO CC[C@H](C[N@H+]1CCn2nnc(CO)c2C1)OC ZINC000563215158 323102882 /nfs/dbraw/zinc/10/28/82/323102882.db2.gz DUHITSWIUMZYGA-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635755037 346050679 /nfs/dbraw/zinc/05/06/79/346050679.db2.gz SIDCZMKJVLZZCE-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635755037 346050682 /nfs/dbraw/zinc/05/06/82/346050682.db2.gz SIDCZMKJVLZZCE-BREBYQMCSA-N 1 2 249.314 0.887 20 0 BCADLO C[C@@H](CC(N)=O)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563217072 323103672 /nfs/dbraw/zinc/10/36/72/323103672.db2.gz KWJJFFAJDYQHCW-IUCAKERBSA-N 1 2 238.291 0.214 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CC(C)=O)[nH+]1 ZINC000635724129 346033863 /nfs/dbraw/zinc/03/38/63/346033863.db2.gz FGPSSFAJFKQBHO-QMMMGPOBSA-N 1 2 237.303 0.998 20 0 BCADLO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccn[nH]1 ZINC000390421663 259387741 /nfs/dbraw/zinc/38/77/41/259387741.db2.gz KALKLQOJTJRDST-VIFPVBQESA-N 1 2 220.280 0.570 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000635790113 346070019 /nfs/dbraw/zinc/07/00/19/346070019.db2.gz BYTXKJSZJBEVFK-RKDXNWHRSA-N 1 2 239.319 0.790 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)CC(N)=O)cn2c1 ZINC000358764917 178975345 /nfs/dbraw/zinc/97/53/45/178975345.db2.gz LFTGVJKRNKEWES-UHFFFAOYSA-N 1 2 246.270 0.134 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1(CCO)CC1 ZINC000431479533 192096203 /nfs/dbraw/zinc/09/62/03/192096203.db2.gz YQFGFSSGEDASDJ-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635791835 346063497 /nfs/dbraw/zinc/06/34/97/346063497.db2.gz YMZSVUUBJNTSTQ-UTINFBMNSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635791835 346063500 /nfs/dbraw/zinc/06/35/00/346063500.db2.gz YMZSVUUBJNTSTQ-UTINFBMNSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)O ZINC000635991579 346142270 /nfs/dbraw/zinc/14/22/70/346142270.db2.gz PGRRIOLANIPBLP-SGIHWFKDSA-N 1 2 237.303 0.789 20 0 BCADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)O ZINC000635991579 346142273 /nfs/dbraw/zinc/14/22/73/346142273.db2.gz PGRRIOLANIPBLP-SGIHWFKDSA-N 1 2 237.303 0.789 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)C2(CO)CC2)[nH+]1 ZINC000635920925 346114870 /nfs/dbraw/zinc/11/48/70/346114870.db2.gz FCFDLDVHINRBCA-UHFFFAOYSA-N 1 2 237.303 0.498 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000635951513 346121731 /nfs/dbraw/zinc/12/17/31/346121731.db2.gz HKTDTICISSYNHC-SSDOTTSWSA-N 1 2 219.248 0.932 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CC)[C@H](C)O)[nH+]1 ZINC000635992923 346143515 /nfs/dbraw/zinc/14/35/15/346143515.db2.gz ZUBZBAVXAKQNPV-WCBMZHEXSA-N 1 2 239.319 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2(CCO)CC2)[nH+]1 ZINC000635962979 346135049 /nfs/dbraw/zinc/13/50/49/346135049.db2.gz YZMXIKBTWZHIAP-UHFFFAOYSA-N 1 2 237.303 0.546 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCOC2)[nH+]1 ZINC000635984117 346138088 /nfs/dbraw/zinc/13/80/88/346138088.db2.gz SSFRHWJKOUUGEO-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO CC[C@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000586829661 346154286 /nfs/dbraw/zinc/15/42/86/346154286.db2.gz UELANXLVIWTLQX-LBPRGKRZSA-N 1 2 236.315 0.959 20 0 BCADLO CC[C@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000586829661 346154289 /nfs/dbraw/zinc/15/42/89/346154289.db2.gz UELANXLVIWTLQX-LBPRGKRZSA-N 1 2 236.315 0.959 20 0 BCADLO Cc1c[nH]c(CN2CCn3c(n[nH]c3=O)C2)[nH+]1 ZINC000628238708 346198532 /nfs/dbraw/zinc/19/85/32/346198532.db2.gz JZUJTMUTYVDIPK-UHFFFAOYSA-N 1 2 234.263 0.031 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@@]3(CCOC3)C2)[nH+]1 ZINC000628239936 346201176 /nfs/dbraw/zinc/20/11/76/346201176.db2.gz KPCANFGABDRGPU-LBPRGKRZSA-N 1 2 237.303 0.709 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628244251 346205999 /nfs/dbraw/zinc/20/59/99/346205999.db2.gz YYINGTYIOVXZGH-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628244251 346206001 /nfs/dbraw/zinc/20/60/01/346206001.db2.gz YYINGTYIOVXZGH-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000628243987 346208342 /nfs/dbraw/zinc/20/83/42/346208342.db2.gz OQPGIXSQFKKAGR-IUCAKERBSA-N 1 2 214.240 0.888 20 0 BCADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000628243987 346208344 /nfs/dbraw/zinc/20/83/44/346208344.db2.gz OQPGIXSQFKKAGR-IUCAKERBSA-N 1 2 214.240 0.888 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000628247433 346215720 /nfs/dbraw/zinc/21/57/20/346215720.db2.gz ANMCOUZVADMFTE-JBLDHEPKSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000628247433 346215723 /nfs/dbraw/zinc/21/57/23/346215723.db2.gz ANMCOUZVADMFTE-JBLDHEPKSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1ccnc([C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC000636038128 346211561 /nfs/dbraw/zinc/21/15/61/346211561.db2.gz OEYDVEPJLSAHFB-JTQLQIEISA-N 1 2 245.286 0.859 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628232760 346185827 /nfs/dbraw/zinc/18/58/27/346185827.db2.gz MXGNKIWZUYEAAC-UHFFFAOYSA-N 1 2 223.276 0.778 20 0 BCADLO Cc1ncc(C[N@@H+](C)CCNC(=O)N(C)C)o1 ZINC000628232926 346186023 /nfs/dbraw/zinc/18/60/23/346186023.db2.gz VFLDRBGBHJSXKR-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1ncc(C[N@H+](C)CCNC(=O)N(C)C)o1 ZINC000628232926 346186027 /nfs/dbraw/zinc/18/60/27/346186027.db2.gz VFLDRBGBHJSXKR-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO CCN1CN(Cc2[nH]c(C)c(C)[nH+]2)CC1=O ZINC000628251555 346222062 /nfs/dbraw/zinc/22/20/62/346222062.db2.gz MOKFDVDSJSHTCX-UHFFFAOYSA-N 1 2 222.292 0.648 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000628251542 346222091 /nfs/dbraw/zinc/22/20/91/346222091.db2.gz LORYAVQMMNGVIK-LLVKDONJSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000628251542 346222095 /nfs/dbraw/zinc/22/20/95/346222095.db2.gz LORYAVQMMNGVIK-LLVKDONJSA-N 1 2 248.330 0.915 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N(C3CC3)C2)[nH+]c1C ZINC000628254839 346238173 /nfs/dbraw/zinc/23/81/73/346238173.db2.gz RGCZGWNYXYFYQQ-UHFFFAOYSA-N 1 2 234.303 0.791 20 0 BCADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCNC1=O ZINC000628261914 346261106 /nfs/dbraw/zinc/26/11/06/346261106.db2.gz PCVIPLKPOXDDAE-SNVBAGLBSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)CCOCCO)n1 ZINC000628264534 346264540 /nfs/dbraw/zinc/26/45/40/346264540.db2.gz RBZZKLJRRFAJMF-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)CCOCCO)n1 ZINC000628264534 346264544 /nfs/dbraw/zinc/26/45/44/346264544.db2.gz RBZZKLJRRFAJMF-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)CO)n1 ZINC000673855854 488309945 /nfs/dbraw/zinc/30/99/45/488309945.db2.gz GIQLHJDQVAOFQU-RKDXNWHRSA-N 1 2 243.307 0.837 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)CO)n1 ZINC000673855854 488309948 /nfs/dbraw/zinc/30/99/48/488309948.db2.gz GIQLHJDQVAOFQU-RKDXNWHRSA-N 1 2 243.307 0.837 20 0 BCADLO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000332773462 537964986 /nfs/dbraw/zinc/96/49/86/537964986.db2.gz XOVLXKNOHZYQOW-GARJFASQSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)C[C@H]2C)[nH+]c1C ZINC000628280716 346291415 /nfs/dbraw/zinc/29/14/15/346291415.db2.gz DEIDUXFKFQKSHJ-MRVPVSSYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cnccn2)c[nH+]1 ZINC000636150859 346334658 /nfs/dbraw/zinc/33/46/58/346334658.db2.gz RKPVHLYVCYUEGY-ZETCQYMHSA-N 1 2 231.259 0.999 20 0 BCADLO CC[C@@H]([NH2+]Cc1cc(COC)on1)C(=O)NC ZINC000641760269 362693043 /nfs/dbraw/zinc/69/30/43/362693043.db2.gz NXNXQMJKIAOLOR-SNVBAGLBSA-N 1 2 241.291 0.435 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cn[nH]c1 ZINC000401738988 323119055 /nfs/dbraw/zinc/11/90/55/323119055.db2.gz QLZHCUNWCIIWOE-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2CO[C@H](C)C2)[nH+]1 ZINC000636109908 346322218 /nfs/dbraw/zinc/32/22/18/346322218.db2.gz JFXSOZPOINXQNI-PSASIEDQSA-N 1 2 237.303 0.808 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCCO1 ZINC000574926628 346415150 /nfs/dbraw/zinc/41/51/50/346415150.db2.gz IUDNJSGYQXFRKW-SECBINFHSA-N 1 2 223.276 0.698 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cnns2)C1 ZINC000574925901 346415282 /nfs/dbraw/zinc/41/52/82/346415282.db2.gz OVGDDGCUDYJDPH-SSDOTTSWSA-N 1 2 226.305 0.818 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cnns2)C1 ZINC000574925901 346415284 /nfs/dbraw/zinc/41/52/84/346415284.db2.gz OVGDDGCUDYJDPH-SSDOTTSWSA-N 1 2 226.305 0.818 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563402759 323123084 /nfs/dbraw/zinc/12/30/84/323123084.db2.gz DEZVTSIEAFCYBJ-WPRPVWTQSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563402759 323123085 /nfs/dbraw/zinc/12/30/85/323123085.db2.gz DEZVTSIEAFCYBJ-WPRPVWTQSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000170764572 346445944 /nfs/dbraw/zinc/44/59/44/346445944.db2.gz AFYZFZOHLARLNO-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000170764572 346445949 /nfs/dbraw/zinc/44/59/49/346445949.db2.gz AFYZFZOHLARLNO-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000332775169 346437311 /nfs/dbraw/zinc/43/73/11/346437311.db2.gz MDSVJFCNGFLVBP-LNLATYFQSA-N 1 2 249.314 0.951 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000332775169 346437316 /nfs/dbraw/zinc/43/73/16/346437316.db2.gz MDSVJFCNGFLVBP-LNLATYFQSA-N 1 2 249.314 0.951 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332775127 346437548 /nfs/dbraw/zinc/43/75/48/346437548.db2.gz LZKOGDVQZKLJCA-ZYHUDNBSSA-N 1 2 249.314 0.333 20 0 BCADLO CC(C)C[C@@H](CO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000580609267 365811100 /nfs/dbraw/zinc/81/11/00/365811100.db2.gz PMCNSWBAJFVFNF-NSHDSACASA-N 1 2 239.319 0.749 20 0 BCADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nnnn1C ZINC000419208943 192104221 /nfs/dbraw/zinc/10/42/21/192104221.db2.gz ATKOFNNCHUNIQU-JTQLQIEISA-N 1 2 241.339 0.703 20 0 BCADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nnnn1C ZINC000419208943 192104223 /nfs/dbraw/zinc/10/42/23/192104223.db2.gz ATKOFNNCHUNIQU-JTQLQIEISA-N 1 2 241.339 0.703 20 0 BCADLO O=S1CC[NH+](CCOCC2CCC2)CC1 ZINC000419208244 192103505 /nfs/dbraw/zinc/10/35/05/192103505.db2.gz RATHBUUREOISKW-UHFFFAOYSA-N 1 2 231.361 0.867 20 0 BCADLO CN(C)c1[nH+]cc(CNCc2cc[nH]n2)n1C ZINC000070143829 349966299 /nfs/dbraw/zinc/96/62/99/349966299.db2.gz IEMJHWPKKCFGDK-UHFFFAOYSA-N 1 2 234.307 0.499 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000103230906 346518522 /nfs/dbraw/zinc/51/85/22/346518522.db2.gz ONCCJGQOQCGART-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000103230906 346518526 /nfs/dbraw/zinc/51/85/26/346518526.db2.gz ONCCJGQOQCGART-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1F ZINC000679227149 488322502 /nfs/dbraw/zinc/32/25/02/488322502.db2.gz WWELWCCZPFWOPU-RKDXNWHRSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1F ZINC000679227149 488322503 /nfs/dbraw/zinc/32/25/03/488322503.db2.gz WWELWCCZPFWOPU-RKDXNWHRSA-N 1 2 238.328 0.216 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1F ZINC000679226849 488322259 /nfs/dbraw/zinc/32/22/59/488322259.db2.gz VVBILNSGKSXVMR-UWVGGRQHSA-N 1 2 214.284 0.899 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1F ZINC000679226849 488322261 /nfs/dbraw/zinc/32/22/61/488322261.db2.gz VVBILNSGKSXVMR-UWVGGRQHSA-N 1 2 214.284 0.899 20 0 BCADLO COC[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000580182333 346619649 /nfs/dbraw/zinc/61/96/49/346619649.db2.gz JRGWRIWWTKSOGG-HTRCEHHLSA-N 1 2 229.305 0.294 20 0 BCADLO COC[C@@](C)([NH2+]CC1CC1)C(=O)OC ZINC000053199345 346596529 /nfs/dbraw/zinc/59/65/29/346596529.db2.gz NARVHJCTZFWJDS-SNVBAGLBSA-N 1 2 201.266 0.564 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000580182334 346619482 /nfs/dbraw/zinc/61/94/82/346619482.db2.gz JRGWRIWWTKSOGG-SVRRBLITSA-N 1 2 229.305 0.294 20 0 BCADLO COC[C@@]1(C)C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000626170301 346668913 /nfs/dbraw/zinc/66/89/13/346668913.db2.gz DKTMOLMHJGPFJO-GFCCVEGCSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000626170301 346668914 /nfs/dbraw/zinc/66/89/14/346668914.db2.gz DKTMOLMHJGPFJO-GFCCVEGCSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@]1(C)C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000626170302 346668933 /nfs/dbraw/zinc/66/89/33/346668933.db2.gz DKTMOLMHJGPFJO-LBPRGKRZSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000626170302 346668934 /nfs/dbraw/zinc/66/89/34/346668934.db2.gz DKTMOLMHJGPFJO-LBPRGKRZSA-N 1 2 244.335 0.248 20 0 BCADLO CCc1noc(C[N@H+](C)CCCCO)n1 ZINC000303385949 346624041 /nfs/dbraw/zinc/62/40/41/346624041.db2.gz VZLFOIYDUGWZBU-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1noc(C[N@@H+](C)CCCCO)n1 ZINC000303385949 346624047 /nfs/dbraw/zinc/62/40/47/346624047.db2.gz VZLFOIYDUGWZBU-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CC(=O)CCC(=O)NCCn1cc[nH+]c1 ZINC000203577161 346638928 /nfs/dbraw/zinc/63/89/28/346638928.db2.gz GKYPFIDBOGLUCL-UHFFFAOYSA-N 1 2 209.249 0.369 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000589647110 346723107 /nfs/dbraw/zinc/72/31/07/346723107.db2.gz JEIDEANLUHTIAP-NSHDSACASA-N 1 2 244.298 0.931 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@H]1C ZINC000580210136 346676881 /nfs/dbraw/zinc/67/68/81/346676881.db2.gz LTHPOKOYGBHKEM-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@H]1C ZINC000580210136 346676882 /nfs/dbraw/zinc/67/68/82/346676882.db2.gz LTHPOKOYGBHKEM-NXEZZACHSA-N 1 2 237.303 0.836 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626171230 346687806 /nfs/dbraw/zinc/68/78/06/346687806.db2.gz XAJFDMUGXKFCKO-GFCCVEGCSA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626171230 346687810 /nfs/dbraw/zinc/68/78/10/346687810.db2.gz XAJFDMUGXKFCKO-GFCCVEGCSA-N 1 2 244.335 0.250 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCOCCF ZINC000621092459 346691550 /nfs/dbraw/zinc/69/15/50/346691550.db2.gz RBBVEFWBVNLSPQ-UHFFFAOYSA-N 1 2 229.255 0.445 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCOCCF ZINC000621092459 346691554 /nfs/dbraw/zinc/69/15/54/346691554.db2.gz RBBVEFWBVNLSPQ-UHFFFAOYSA-N 1 2 229.255 0.445 20 0 BCADLO CC1(C)C[N@H+](Cc2ncccn2)C[C@@H]1O ZINC000387856971 347111441 /nfs/dbraw/zinc/11/14/41/347111441.db2.gz KOQNXVVMKKOPON-VIFPVBQESA-N 1 2 207.277 0.679 20 0 BCADLO CC1(C)C[N@@H+](Cc2ncccn2)C[C@@H]1O ZINC000387856971 347111446 /nfs/dbraw/zinc/11/14/46/347111446.db2.gz KOQNXVVMKKOPON-VIFPVBQESA-N 1 2 207.277 0.679 20 0 BCADLO CC1(C)C[N@H+](Cc2ncccn2)C[C@H]1O ZINC000387856970 347111724 /nfs/dbraw/zinc/11/17/24/347111724.db2.gz KOQNXVVMKKOPON-SECBINFHSA-N 1 2 207.277 0.679 20 0 BCADLO CC1(C)C[N@@H+](Cc2ncccn2)C[C@H]1O ZINC000387856970 347111726 /nfs/dbraw/zinc/11/17/26/347111726.db2.gz KOQNXVVMKKOPON-SECBINFHSA-N 1 2 207.277 0.679 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nncn1C ZINC000182647756 346804893 /nfs/dbraw/zinc/80/48/93/346804893.db2.gz AJLXDACMDQUJBC-SECBINFHSA-N 1 2 240.307 0.589 20 0 BCADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nncn1C ZINC000182647756 346804894 /nfs/dbraw/zinc/80/48/94/346804894.db2.gz AJLXDACMDQUJBC-SECBINFHSA-N 1 2 240.307 0.589 20 0 BCADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccn(C)n1 ZINC000571158837 323136872 /nfs/dbraw/zinc/13/68/72/323136872.db2.gz XVDZZZMJWVOWTI-SVRRBLITSA-N 1 2 237.225 0.994 20 0 BCADLO CCc1nc(C)c(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000309645079 347129356 /nfs/dbraw/zinc/12/93/56/347129356.db2.gz LZCRXADWPYUYNN-UHFFFAOYSA-N 1 2 223.276 0.653 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000388122073 347196772 /nfs/dbraw/zinc/19/67/72/347196772.db2.gz ZPIFNNLYFHFZPJ-VIFPVBQESA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000388122073 347196774 /nfs/dbraw/zinc/19/67/74/347196774.db2.gz ZPIFNNLYFHFZPJ-VIFPVBQESA-N 1 2 224.308 0.326 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(C)cn2)[C@@H](C)C1 ZINC000353871870 187372926 /nfs/dbraw/zinc/37/29/26/187372926.db2.gz ULSFBGWLGOLFHN-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)cn2)[C@@H](C)C1 ZINC000353871870 187372928 /nfs/dbraw/zinc/37/29/28/187372928.db2.gz ULSFBGWLGOLFHN-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO C[C@@H](C(=O)N1CC=CCC1)[NH+]1CCN(C)CC1 ZINC000679325208 488338384 /nfs/dbraw/zinc/33/83/84/488338384.db2.gz HJMGWYAKSXTWTI-LBPRGKRZSA-N 1 2 237.347 0.411 20 0 BCADLO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451190386 323142528 /nfs/dbraw/zinc/14/25/28/323142528.db2.gz QFKNKMFPWCNTMM-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451190386 323142529 /nfs/dbraw/zinc/14/25/29/323142529.db2.gz QFKNKMFPWCNTMM-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC000152294601 362818150 /nfs/dbraw/zinc/81/81/50/362818150.db2.gz GETJYJLPJZTSSW-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC000152294601 362818158 /nfs/dbraw/zinc/81/81/58/362818158.db2.gz GETJYJLPJZTSSW-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccon1 ZINC000390433157 347352338 /nfs/dbraw/zinc/35/23/38/347352338.db2.gz AXHMCCVTNONLHZ-IUCAKERBSA-N 1 2 244.316 0.902 20 0 BCADLO COc1nccc(C[N@H+](C)CCNC(C)=O)n1 ZINC000582120136 347389664 /nfs/dbraw/zinc/38/96/64/347389664.db2.gz GVJYJJNDRJWWSH-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO COc1nccc(C[N@@H+](C)CCNC(C)=O)n1 ZINC000582120136 347389666 /nfs/dbraw/zinc/38/96/66/347389666.db2.gz GVJYJJNDRJWWSH-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCO1 ZINC000616921769 347450973 /nfs/dbraw/zinc/45/09/73/347450973.db2.gz BQVFWDSJWLJCFW-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCO1 ZINC000616921769 347450975 /nfs/dbraw/zinc/45/09/75/347450975.db2.gz BQVFWDSJWLJCFW-SECBINFHSA-N 1 2 209.249 0.547 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000616922323 347452197 /nfs/dbraw/zinc/45/21/97/347452197.db2.gz YCCQAHSXTANDDX-JMJZKYOTSA-N 1 2 247.298 0.983 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000616922323 347452201 /nfs/dbraw/zinc/45/22/01/347452201.db2.gz YCCQAHSXTANDDX-JMJZKYOTSA-N 1 2 247.298 0.983 20 0 BCADLO Cc1c[nH]nc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922083 347452518 /nfs/dbraw/zinc/45/25/18/347452518.db2.gz OSRSPBZCYNEVKL-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO Cc1c[nH]nc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922083 347452520 /nfs/dbraw/zinc/45/25/20/347452520.db2.gz OSRSPBZCYNEVKL-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO Cc1cc(C)n(CC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616923197 347453429 /nfs/dbraw/zinc/45/34/29/347453429.db2.gz YLEUYBWJJRCZSH-UHFFFAOYSA-N 1 2 247.302 0.882 20 0 BCADLO Cc1cc(C)n(CC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616923197 347453430 /nfs/dbraw/zinc/45/34/30/347453430.db2.gz YLEUYBWJJRCZSH-UHFFFAOYSA-N 1 2 247.302 0.882 20 0 BCADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)n1cccn1 ZINC000616923746 347455219 /nfs/dbraw/zinc/45/52/19/347455219.db2.gz SHPFELIMHNBGNR-SECBINFHSA-N 1 2 233.275 0.826 20 0 BCADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)n1cccn1 ZINC000616923746 347455221 /nfs/dbraw/zinc/45/52/21/347455221.db2.gz SHPFELIMHNBGNR-SECBINFHSA-N 1 2 233.275 0.826 20 0 BCADLO O=C(c1ccc(=O)[nH]c1)N1CCc2[nH]c[nH+]c2C1 ZINC000396908060 362839459 /nfs/dbraw/zinc/83/94/59/362839459.db2.gz BDENXOFAQQIRME-UHFFFAOYSA-N 1 2 244.254 0.709 20 0 BCADLO O=C(c1ccc(=O)[nH]c1)N1CCc2[nH+]c[nH]c2C1 ZINC000396908060 362839466 /nfs/dbraw/zinc/83/94/66/362839466.db2.gz BDENXOFAQQIRME-UHFFFAOYSA-N 1 2 244.254 0.709 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)O)cn21 ZINC000270756686 179229676 /nfs/dbraw/zinc/22/96/76/179229676.db2.gz DMYZVGDAJJRWHO-SECBINFHSA-N 1 2 233.271 0.640 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cnn[nH]1 ZINC000590690646 347491311 /nfs/dbraw/zinc/49/13/11/347491311.db2.gz OMKBDCXQRZSXDI-UHFFFAOYSA-N 1 2 212.253 0.190 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cnn[nH]1 ZINC000590690646 347491314 /nfs/dbraw/zinc/49/13/14/347491314.db2.gz OMKBDCXQRZSXDI-UHFFFAOYSA-N 1 2 212.253 0.190 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1c[nH]nn1 ZINC000590690646 347491315 /nfs/dbraw/zinc/49/13/15/347491315.db2.gz OMKBDCXQRZSXDI-UHFFFAOYSA-N 1 2 212.253 0.190 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1c[nH]nn1 ZINC000590690646 347491319 /nfs/dbraw/zinc/49/13/19/347491319.db2.gz OMKBDCXQRZSXDI-UHFFFAOYSA-N 1 2 212.253 0.190 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1cncc(O)c1 ZINC000616929345 347497554 /nfs/dbraw/zinc/49/75/54/347497554.db2.gz YPSRHMZQJZATEZ-UHFFFAOYSA-N 1 2 246.270 0.711 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1cncc(O)c1 ZINC000616929345 347497555 /nfs/dbraw/zinc/49/75/55/347497555.db2.gz YPSRHMZQJZATEZ-UHFFFAOYSA-N 1 2 246.270 0.711 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000616927120 347459445 /nfs/dbraw/zinc/45/94/45/347459445.db2.gz AIIATVGXSLRFSV-CMPLNLGQSA-N 1 2 235.287 0.795 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000616927120 347459446 /nfs/dbraw/zinc/45/94/46/347459446.db2.gz AIIATVGXSLRFSV-CMPLNLGQSA-N 1 2 235.287 0.795 20 0 BCADLO CCC[C@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926936 347459961 /nfs/dbraw/zinc/45/99/61/347459961.db2.gz VXDCKKDDACGPPG-NSHDSACASA-N 1 2 225.292 0.919 20 0 BCADLO CCC[C@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926936 347459963 /nfs/dbraw/zinc/45/99/63/347459963.db2.gz VXDCKKDDACGPPG-NSHDSACASA-N 1 2 225.292 0.919 20 0 BCADLO Cc1nnccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926784 347459971 /nfs/dbraw/zinc/45/99/71/347459971.db2.gz PVEGTUIYQJZOIN-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1nnccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926784 347459972 /nfs/dbraw/zinc/45/99/72/347459972.db2.gz PVEGTUIYQJZOIN-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)on1 ZINC000616927471 347460807 /nfs/dbraw/zinc/46/08/07/347460807.db2.gz JDPVUZWWVWZWEW-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO COc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)on1 ZINC000616927471 347460811 /nfs/dbraw/zinc/46/08/11/347460811.db2.gz JDPVUZWWVWZWEW-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(O)CCC1 ZINC000616928006 347467141 /nfs/dbraw/zinc/46/71/41/347467141.db2.gz VTZUUHLMWIXJJV-UHFFFAOYSA-N 1 2 209.249 0.283 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(O)CCC1 ZINC000616928006 347467143 /nfs/dbraw/zinc/46/71/43/347467143.db2.gz VTZUUHLMWIXJJV-UHFFFAOYSA-N 1 2 209.249 0.283 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC[C@H](C)O ZINC000590707804 347498132 /nfs/dbraw/zinc/49/81/32/347498132.db2.gz UYXIFDGIIYVBPX-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC[C@H](C)O ZINC000590707804 347498133 /nfs/dbraw/zinc/49/81/33/347498133.db2.gz UYXIFDGIIYVBPX-QWRGUYRKSA-N 1 2 247.335 0.657 20 0 BCADLO COC(=O)CCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590598854 347479241 /nfs/dbraw/zinc/47/92/41/347479241.db2.gz CIARUWSOOARBDV-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COC(=O)CCC[N@H+]1CCc2nc[nH]c2C1 ZINC000590598854 347479244 /nfs/dbraw/zinc/47/92/44/347479244.db2.gz CIARUWSOOARBDV-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000590598873 347479572 /nfs/dbraw/zinc/47/95/72/347479572.db2.gz COLXYSHWWQPQFM-QMMMGPOBSA-N 1 2 223.276 0.719 20 0 BCADLO CC(C)N(C)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000357623963 187378435 /nfs/dbraw/zinc/37/84/35/187378435.db2.gz JACKPSQZZJHYNV-UHFFFAOYSA-N 1 2 238.335 0.719 20 0 BCADLO Cn1ccnc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616291822 347527359 /nfs/dbraw/zinc/52/73/59/347527359.db2.gz HYNUTOSYUVLJES-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)CC1 ZINC000493094639 347529469 /nfs/dbraw/zinc/52/94/69/347529469.db2.gz RMAHBCOSGVZQHQ-UFFNRZRYSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000590871576 347577320 /nfs/dbraw/zinc/57/73/20/347577320.db2.gz PWWFYVYHHXLYHW-QMMMGPOBSA-N 1 2 208.265 0.724 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C(C)(C)C ZINC000591019321 347605788 /nfs/dbraw/zinc/60/57/88/347605788.db2.gz VNJNLJTUFQSCAJ-RKDXNWHRSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@@](COC)([NH2+]C[C@H](C)CO)C(=O)OC ZINC000590966947 347595939 /nfs/dbraw/zinc/59/59/39/347595939.db2.gz JVGPORZDTFVIJN-ONGXEEELSA-N 1 2 233.308 0.173 20 0 BCADLO COC1CC(CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000617029855 347596804 /nfs/dbraw/zinc/59/68/04/347596804.db2.gz YPLLESAUYPMAIR-UHFFFAOYSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591227092 347634842 /nfs/dbraw/zinc/63/48/42/347634842.db2.gz GEJZCHSNJPKXJA-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591227092 347634844 /nfs/dbraw/zinc/63/48/44/347634844.db2.gz GEJZCHSNJPKXJA-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591227091 347635040 /nfs/dbraw/zinc/63/50/40/347635040.db2.gz GEJZCHSNJPKXJA-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591227091 347635043 /nfs/dbraw/zinc/63/50/43/347635043.db2.gz GEJZCHSNJPKXJA-GMTAPVOTSA-N 1 2 226.320 0.479 20 0 BCADLO CC(C)[N@H+](C)CC(=O)N1CCc2[nH]nnc2C1 ZINC000359573352 187380063 /nfs/dbraw/zinc/38/00/63/187380063.db2.gz FSNRBSCMOOKJPO-UHFFFAOYSA-N 1 2 237.307 0.030 20 0 BCADLO CC(C)[N@@H+](C)CC(=O)N1CCc2[nH]nnc2C1 ZINC000359573352 187380065 /nfs/dbraw/zinc/38/00/65/187380065.db2.gz FSNRBSCMOOKJPO-UHFFFAOYSA-N 1 2 237.307 0.030 20 0 BCADLO COCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047060 347615243 /nfs/dbraw/zinc/61/52/43/347615243.db2.gz JFKKGIITBZWXEC-UHFFFAOYSA-N 1 2 222.244 0.318 20 0 BCADLO CC1(C)C[C@@H](NC(=O)CCn2cc[nH+]c2)CO1 ZINC000617054395 347671110 /nfs/dbraw/zinc/67/11/10/347671110.db2.gz DOPIBXSGSPWWPO-SNVBAGLBSA-N 1 2 237.303 0.957 20 0 BCADLO CC[N@H+](CCSC)Cc1n[nH]c(=O)[nH]1 ZINC000592204539 347756788 /nfs/dbraw/zinc/75/67/88/347756788.db2.gz UGQRIGOPRKKPNF-UHFFFAOYSA-N 1 2 216.310 0.695 20 0 BCADLO CC[N@@H+](CCSC)Cc1n[nH]c(=O)[nH]1 ZINC000592204539 347756790 /nfs/dbraw/zinc/75/67/90/347756790.db2.gz UGQRIGOPRKKPNF-UHFFFAOYSA-N 1 2 216.310 0.695 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cocn2)C1 ZINC000592527677 347795417 /nfs/dbraw/zinc/79/54/17/347795417.db2.gz GWWWLVFVWSKQDQ-PSASIEDQSA-N 1 2 240.259 0.030 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cocn2)C1 ZINC000592527677 347795419 /nfs/dbraw/zinc/79/54/19/347795419.db2.gz GWWWLVFVWSKQDQ-PSASIEDQSA-N 1 2 240.259 0.030 20 0 BCADLO CC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000592868779 347830599 /nfs/dbraw/zinc/83/05/99/347830599.db2.gz ZVBPODKZALSGST-QMMMGPOBSA-N 1 2 239.275 0.647 20 0 BCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C ZINC000592791654 347815892 /nfs/dbraw/zinc/81/58/92/347815892.db2.gz RCOJQPTVBGJFOT-QJPTWQEYSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014244 347844297 /nfs/dbraw/zinc/84/42/97/347844297.db2.gz XPEPVONLUVMHLY-ILMIYZIASA-N 1 2 244.360 0.106 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000593014244 347844299 /nfs/dbraw/zinc/84/42/99/347844299.db2.gz XPEPVONLUVMHLY-ILMIYZIASA-N 1 2 244.360 0.106 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679679586 488363840 /nfs/dbraw/zinc/36/38/40/488363840.db2.gz UREUVGCWANDUIU-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679679586 488363841 /nfs/dbraw/zinc/36/38/41/488363841.db2.gz UREUVGCWANDUIU-QMMMGPOBSA-N 1 2 236.262 0.826 20 0 BCADLO C[C@@H]1CC[N@H+](C[C@H]2CCCN2C)CC[S@@]1=O ZINC000593027840 347847362 /nfs/dbraw/zinc/84/73/62/347847362.db2.gz XJFHRXROLWKRCR-HSMVNMDESA-N 1 2 244.404 0.924 20 0 BCADLO C[C@@H]1CC[N@@H+](C[C@H]2CCCN2C)CC[S@@]1=O ZINC000593027840 347847364 /nfs/dbraw/zinc/84/73/64/347847364.db2.gz XJFHRXROLWKRCR-HSMVNMDESA-N 1 2 244.404 0.924 20 0 BCADLO CCCCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593095131 347853802 /nfs/dbraw/zinc/85/38/02/347853802.db2.gz ODBZTJBMPWXRES-PUTJDCORSA-N 1 2 244.360 0.108 20 0 BCADLO CCCCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593095131 347853803 /nfs/dbraw/zinc/85/38/03/347853803.db2.gz ODBZTJBMPWXRES-PUTJDCORSA-N 1 2 244.360 0.108 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593098094 347855183 /nfs/dbraw/zinc/85/51/83/347855183.db2.gz VIHHATHRXFHUGG-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593098094 347855184 /nfs/dbraw/zinc/85/51/84/347855184.db2.gz VIHHATHRXFHUGG-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098420 347855320 /nfs/dbraw/zinc/85/53/20/347855320.db2.gz AGOKLXXPIXXDGC-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098420 347855323 /nfs/dbraw/zinc/85/53/23/347855323.db2.gz AGOKLXXPIXXDGC-YHAQOWFVSA-N 1 2 225.317 0.125 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc[nH]n1 ZINC000593099238 347855760 /nfs/dbraw/zinc/85/57/60/347855760.db2.gz IWVZWBDZSGNKMQ-FZNYLWTLSA-N 1 2 211.290 0.115 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc[nH]n1 ZINC000593099238 347855763 /nfs/dbraw/zinc/85/57/63/347855763.db2.gz IWVZWBDZSGNKMQ-FZNYLWTLSA-N 1 2 211.290 0.115 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593099587 347856535 /nfs/dbraw/zinc/85/65/35/347856535.db2.gz JTPSDVNCPFMTMJ-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593099587 347856538 /nfs/dbraw/zinc/85/65/38/347856538.db2.gz JTPSDVNCPFMTMJ-XMZIXOGTSA-N 1 2 237.328 0.490 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C(F)(F)F ZINC000593100881 347857893 /nfs/dbraw/zinc/85/78/93/347857893.db2.gz PTGMWVBMGINCAL-XJEQTTPYSA-N 1 2 243.250 0.115 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C(F)(F)F ZINC000593100881 347857895 /nfs/dbraw/zinc/85/78/95/347857895.db2.gz PTGMWVBMGINCAL-XJEQTTPYSA-N 1 2 243.250 0.115 20 0 BCADLO C/C=C\C[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577315133 365923531 /nfs/dbraw/zinc/92/35/31/365923531.db2.gz JLNWAOXIDWHKGR-XOULXFPDSA-N 1 2 237.303 0.406 20 0 BCADLO CC(=O)NC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000593277375 347877589 /nfs/dbraw/zinc/87/75/89/347877589.db2.gz FHHPWIGVPJGPLA-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Cn1cncn1 ZINC000593277385 347877601 /nfs/dbraw/zinc/87/76/01/347877601.db2.gz HTXQEUBOKLVWCL-UHFFFAOYSA-N 1 2 217.232 0.042 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115340 347862024 /nfs/dbraw/zinc/86/20/24/347862024.db2.gz ILTDLLSGYWQWEG-QMMMGPOBSA-N 1 2 205.204 0.891 20 0 BCADLO COC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115340 347862029 /nfs/dbraw/zinc/86/20/29/347862029.db2.gz ILTDLLSGYWQWEG-QMMMGPOBSA-N 1 2 205.204 0.891 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)o1 ZINC000593688984 347927788 /nfs/dbraw/zinc/92/77/88/347927788.db2.gz RRPYGAYRLWMTRN-LFZOIZTFSA-N 1 2 241.312 0.477 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)o1 ZINC000593688984 347927790 /nfs/dbraw/zinc/92/77/90/347927790.db2.gz RRPYGAYRLWMTRN-LFZOIZTFSA-N 1 2 241.312 0.477 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccco1 ZINC000593689904 347928572 /nfs/dbraw/zinc/92/85/72/347928572.db2.gz YTWZYEYFQBOBFK-QEVYDEPDSA-N 1 2 211.286 0.985 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccco1 ZINC000593689904 347928574 /nfs/dbraw/zinc/92/85/74/347928574.db2.gz YTWZYEYFQBOBFK-QEVYDEPDSA-N 1 2 211.286 0.985 20 0 BCADLO CC1(C)C[C@@H]([NH2+][C@H](C(N)=O)c2ccccn2)CO1 ZINC000577388845 365943113 /nfs/dbraw/zinc/94/31/13/365943113.db2.gz OHKMJRCRTKKGHX-KOLCDFICSA-N 1 2 249.314 0.765 20 0 BCADLO CS[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000593734469 347938745 /nfs/dbraw/zinc/93/87/45/347938745.db2.gz JFXKIWOJDKZVCE-SECBINFHSA-N 1 2 225.317 0.847 20 0 BCADLO Cc1nc(C[NH+]2CCC3(CCO3)CC2)n[nH]1 ZINC000577378781 365938927 /nfs/dbraw/zinc/93/89/27/365938927.db2.gz KMIYQFMERKOLIQ-UHFFFAOYSA-N 1 2 222.292 0.868 20 0 BCADLO COC(=O)[C@H](CCF)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000593804359 347949046 /nfs/dbraw/zinc/94/90/46/347949046.db2.gz RKXQCDURYWWVLR-ZETCQYMHSA-N 1 2 243.238 0.349 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cncnc1 ZINC000577431564 365953017 /nfs/dbraw/zinc/95/30/17/365953017.db2.gz GSUUXIKEOZXWTC-UHFFFAOYSA-N 1 2 217.232 0.391 20 0 BCADLO O=C(c1cn[nH]n1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594180803 348021164 /nfs/dbraw/zinc/02/11/64/348021164.db2.gz SXSMGKWGJSAFQX-UHFFFAOYSA-N 1 2 245.242 0.103 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](C)C[S@@](C)=O ZINC000594570776 348074305 /nfs/dbraw/zinc/07/43/05/348074305.db2.gz WXCBJFJOJFLMDL-VGDKGRGNSA-N 1 2 243.332 0.973 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](C)C[S@@](C)=O ZINC000594570774 348074417 /nfs/dbraw/zinc/07/44/17/348074417.db2.gz WXCBJFJOJFLMDL-HYORBCNSSA-N 1 2 243.332 0.973 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC(N)=O ZINC000594710944 348104137 /nfs/dbraw/zinc/10/41/37/348104137.db2.gz JZOQZTZQFXCDAS-NTSWFWBYSA-N 1 2 242.304 0.377 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC(N)=O ZINC000594710949 348104298 /nfs/dbraw/zinc/10/42/98/348104298.db2.gz JZOQZTZQFXCDAS-WDSKDSINSA-N 1 2 242.304 0.377 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC)C1CCOCC1 ZINC000594713018 348104727 /nfs/dbraw/zinc/10/47/27/348104727.db2.gz XVEHSJAMZQNUCC-ONGXEEELSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(=O)OC)C1CCOCC1 ZINC000594713016 348104960 /nfs/dbraw/zinc/10/49/60/348104960.db2.gz XVEHSJAMZQNUCC-KOLCDFICSA-N 1 2 245.319 0.579 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2cscn2)CC1=O ZINC000391537227 323176188 /nfs/dbraw/zinc/17/61/88/323176188.db2.gz LPPWXLJPGVHKIC-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO Cc1nccnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616208289 348143123 /nfs/dbraw/zinc/14/31/23/348143123.db2.gz WXQSFCAFWMFQDU-UHFFFAOYSA-N 1 2 245.286 0.491 20 0 BCADLO CCn1cnc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000616208359 348143350 /nfs/dbraw/zinc/14/33/50/348143350.db2.gz ZGLFTZRESMKNLH-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H](COC)OC ZINC000595294935 348215343 /nfs/dbraw/zinc/21/53/43/348215343.db2.gz UURQPTHKVBXNPL-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H](COC)OC ZINC000595294935 348215346 /nfs/dbraw/zinc/21/53/46/348215346.db2.gz UURQPTHKVBXNPL-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)C[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000595298679 348216782 /nfs/dbraw/zinc/21/67/82/348216782.db2.gz RFWSLUVJGQKKPJ-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000595298679 348216783 /nfs/dbraw/zinc/21/67/83/348216783.db2.gz RFWSLUVJGQKKPJ-MRVPVSSYSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](COC)OC ZINC000595299415 348217957 /nfs/dbraw/zinc/21/79/57/348217957.db2.gz YZNZGAGKLXJLRD-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](COC)OC ZINC000595299415 348217959 /nfs/dbraw/zinc/21/79/59/348217959.db2.gz YZNZGAGKLXJLRD-SECBINFHSA-N 1 2 219.281 0.143 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595299439 348218125 /nfs/dbraw/zinc/21/81/25/348218125.db2.gz ZJEXSSFWBBMJDE-WDEREUQCSA-N 1 2 245.319 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595299439 348218127 /nfs/dbraw/zinc/21/81/27/348218127.db2.gz ZJEXSSFWBBMJDE-WDEREUQCSA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000595305682 348222227 /nfs/dbraw/zinc/22/22/27/348222227.db2.gz IWSGDTHSZCBWIU-ZJUUUORDSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cccnc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000267360252 179365503 /nfs/dbraw/zinc/36/55/03/179365503.db2.gz NSGOJXQHXRTUOQ-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccnc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000267360252 179365506 /nfs/dbraw/zinc/36/55/06/179365506.db2.gz NSGOJXQHXRTUOQ-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595319838 348225550 /nfs/dbraw/zinc/22/55/50/348225550.db2.gz DEMSPTCCAHRIPD-GLSBUQGYSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCc1cn[nH]n1 ZINC000595319838 348225551 /nfs/dbraw/zinc/22/55/51/348225551.db2.gz DEMSPTCCAHRIPD-GLSBUQGYSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595319837 348225787 /nfs/dbraw/zinc/22/57/87/348225787.db2.gz DEMSPTCCAHRIPD-LGZSNQIQSA-N 1 2 242.348 0.189 20 0 BCADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCc1cn[nH]n1 ZINC000595319837 348225790 /nfs/dbraw/zinc/22/57/90/348225790.db2.gz DEMSPTCCAHRIPD-LGZSNQIQSA-N 1 2 242.348 0.189 20 0 BCADLO CCOC(=O)COCC[N@H+](C)Cc1ncc[nH]1 ZINC000595401298 348238400 /nfs/dbraw/zinc/23/84/00/348238400.db2.gz DYLQPMVRAVZZGD-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)Cc1ncc[nH]1 ZINC000595401298 348238401 /nfs/dbraw/zinc/23/84/01/348238401.db2.gz DYLQPMVRAVZZGD-UHFFFAOYSA-N 1 2 241.291 0.421 20 0 BCADLO COC[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)C)OC ZINC000595429086 348248511 /nfs/dbraw/zinc/24/85/11/348248511.db2.gz BOFHQPXSBIRBLA-NXEZZACHSA-N 1 2 233.308 0.435 20 0 BCADLO COC[C@H](C[NH2+][C@@H](C(=O)OC)C(C)C)OC ZINC000595429088 348248527 /nfs/dbraw/zinc/24/85/27/348248527.db2.gz BOFHQPXSBIRBLA-VHSXEESVSA-N 1 2 233.308 0.435 20 0 BCADLO Cn1c[nH+]c(CN2CC[S@](=O)CC2(C)C)c1 ZINC000595450806 348253326 /nfs/dbraw/zinc/25/33/26/348253326.db2.gz DGJFMJFNICUHIW-INIZCTEOSA-N 1 2 241.360 0.763 20 0 BCADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC(O)C1 ZINC000563831774 323180010 /nfs/dbraw/zinc/18/00/10/323180010.db2.gz LSJUDOLFVCORLC-MRVPVSSYSA-N 1 2 221.260 0.033 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@H]1CC1(F)F ZINC000595466212 348258020 /nfs/dbraw/zinc/25/80/20/348258020.db2.gz TYNAASKMVBXQQY-SFYZADRCSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000595466212 348258022 /nfs/dbraw/zinc/25/80/22/348258022.db2.gz TYNAASKMVBXQQY-SFYZADRCSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[NH+]1[C@H](C)C[C@H]1C ZINC000595468047 348258688 /nfs/dbraw/zinc/25/86/88/348258688.db2.gz IJPFVAOUYIYZFD-OPRDCNLKSA-N 1 2 243.303 0.964 20 0 BCADLO COC(=O)[C@H]([NH2+]CCc1cn[nH]n1)C(C)(C)C ZINC000595392110 348236968 /nfs/dbraw/zinc/23/69/68/348236968.db2.gz KDFUFOUEPXWAQI-VIFPVBQESA-N 1 2 240.307 0.525 20 0 BCADLO CSCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546837 348267668 /nfs/dbraw/zinc/26/76/68/348267668.db2.gz IWKZOLMXFABTTQ-UHFFFAOYSA-N 1 2 217.294 0.960 20 0 BCADLO CSCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546837 348267669 /nfs/dbraw/zinc/26/76/69/348267669.db2.gz IWKZOLMXFABTTQ-UHFFFAOYSA-N 1 2 217.294 0.960 20 0 BCADLO CCSCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547165 348267828 /nfs/dbraw/zinc/26/78/28/348267828.db2.gz MWTXMPMUEDUING-UHFFFAOYSA-N 1 2 217.294 0.960 20 0 BCADLO CCSCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547165 348267833 /nfs/dbraw/zinc/26/78/33/348267833.db2.gz MWTXMPMUEDUING-UHFFFAOYSA-N 1 2 217.294 0.960 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548689 348268710 /nfs/dbraw/zinc/26/87/10/348268710.db2.gz XYTKYDVWVBLRFG-UHFFFAOYSA-N 1 2 229.236 0.160 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548689 348268711 /nfs/dbraw/zinc/26/87/11/348268711.db2.gz XYTKYDVWVBLRFG-UHFFFAOYSA-N 1 2 229.236 0.160 20 0 BCADLO COC(=O)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547900 348268757 /nfs/dbraw/zinc/26/87/57/348268757.db2.gz UDEUKNCDXTUUJA-UHFFFAOYSA-N 1 2 229.236 0.160 20 0 BCADLO COC(=O)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547900 348268759 /nfs/dbraw/zinc/26/87/59/348268759.db2.gz UDEUKNCDXTUUJA-UHFFFAOYSA-N 1 2 229.236 0.160 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCCC1 ZINC000595527860 348271996 /nfs/dbraw/zinc/27/19/96/348271996.db2.gz SIVUBDWKKKFRPM-LLVKDONJSA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000595531124 348273184 /nfs/dbraw/zinc/27/31/84/348273184.db2.gz CNTIVCLGYQOXMA-FOGDFJRCSA-N 1 2 245.319 0.315 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCc1cccnc1 ZINC000595531392 348273749 /nfs/dbraw/zinc/27/37/49/348273749.db2.gz FOSKHFUKOGOJBZ-GFCCVEGCSA-N 1 2 238.287 0.138 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCCCF ZINC000595532870 348274369 /nfs/dbraw/zinc/27/43/69/348274369.db2.gz VHDCJZIDNYEXBA-SNVBAGLBSA-N 1 2 221.272 0.640 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595532811 348274386 /nfs/dbraw/zinc/27/43/86/348274386.db2.gz COWJCDZVDPSYII-DCQANWLSSA-N 1 2 241.331 0.936 20 0 BCADLO CC/C=C/CC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595532496 348274740 /nfs/dbraw/zinc/27/47/40/348274740.db2.gz SDYGJLRPQKDGBC-QRGHLMKCSA-N 1 2 215.293 0.856 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@@H]1CCOC1 ZINC000595532773 348274801 /nfs/dbraw/zinc/27/48/01/348274801.db2.gz BKQHPEJZONDTNY-PWSUYJOCSA-N 1 2 245.319 0.317 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1c[nH]cn1 ZINC000595592169 348277707 /nfs/dbraw/zinc/27/77/07/348277707.db2.gz MMEUWUXBRNXCIN-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000595592169 348277709 /nfs/dbraw/zinc/27/77/09/348277709.db2.gz MMEUWUXBRNXCIN-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595592169 348277710 /nfs/dbraw/zinc/27/77/10/348277710.db2.gz MMEUWUXBRNXCIN-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595592169 348277711 /nfs/dbraw/zinc/27/77/11/348277711.db2.gz MMEUWUXBRNXCIN-LLVKDONJSA-N 1 2 241.291 0.156 20 0 BCADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)on1 ZINC000595563639 348282359 /nfs/dbraw/zinc/28/23/59/348282359.db2.gz NWONLWJZUZWCTO-NOOHHBMASA-N 1 2 242.300 0.388 20 0 BCADLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)on1 ZINC000595563639 348282362 /nfs/dbraw/zinc/28/23/62/348282362.db2.gz NWONLWJZUZWCTO-NOOHHBMASA-N 1 2 242.300 0.388 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595632415 348293620 /nfs/dbraw/zinc/29/36/20/348293620.db2.gz OAMJTJXQFXZAOL-GARJFASQSA-N 1 2 245.319 0.315 20 0 BCADLO CC(C)OC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595760870 348332527 /nfs/dbraw/zinc/33/25/27/348332527.db2.gz WEEMRCONBYTGQB-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO CC(C)OC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595760870 348332528 /nfs/dbraw/zinc/33/25/28/348332528.db2.gz WEEMRCONBYTGQB-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](C)OC ZINC000595774817 348338186 /nfs/dbraw/zinc/33/81/86/348338186.db2.gz JQNBDYZZNFMMSO-WCBMZHEXSA-N 1 2 221.272 0.902 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@H](C)O ZINC000595776041 348338670 /nfs/dbraw/zinc/33/86/70/348338670.db2.gz PZUHNXVDNLIORV-WPRPVWTQSA-N 1 2 221.272 0.638 20 0 BCADLO COC(=O)[C@@](C)(CCF)NCc1cn(C)c[nH+]1 ZINC000595777263 348338687 /nfs/dbraw/zinc/33/86/87/348338687.db2.gz XPPDZLOTPWNCND-LLVKDONJSA-N 1 2 243.282 0.801 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CCCO1 ZINC000082681556 348340214 /nfs/dbraw/zinc/34/02/14/348340214.db2.gz RVTJPQFPRSSOMK-VIFPVBQESA-N 1 2 223.276 0.937 20 0 BCADLO Cc1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000308743037 348368848 /nfs/dbraw/zinc/36/88/48/348368848.db2.gz DKYHFMZRWJSMCT-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000308743037 348368852 /nfs/dbraw/zinc/36/88/52/348368852.db2.gz DKYHFMZRWJSMCT-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO CCOC(=O)C12CC(C1)CN2Cc1cn(C)c[nH+]1 ZINC000595870627 348385207 /nfs/dbraw/zinc/38/52/07/348385207.db2.gz MOFMXDQXMARPGW-UHFFFAOYSA-N 1 2 249.314 0.948 20 0 BCADLO CC(C)SCC(=O)NCC[NH+]1CCOCC1 ZINC000603514532 349985910 /nfs/dbraw/zinc/98/59/10/349985910.db2.gz FYCFIHNNYXMQQD-UHFFFAOYSA-N 1 2 246.376 0.576 20 0 BCADLO CC(C)(C)OC(=O)C1([NH2+]CCO)CCOCC1 ZINC000595896360 348391873 /nfs/dbraw/zinc/39/18/73/348391873.db2.gz LNBZKVHRXNUSIS-UHFFFAOYSA-N 1 2 245.319 0.459 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215362 348441211 /nfs/dbraw/zinc/44/12/11/348441211.db2.gz AVSQRMWGAVFIBP-AKJDGMEZSA-N 1 2 238.331 0.718 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NCCO)c1 ZINC000596051274 348432573 /nfs/dbraw/zinc/43/25/73/348432573.db2.gz NDGHMBCPYJCUAF-UHFFFAOYSA-N 1 2 210.233 0.201 20 0 BCADLO CC[C@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596052041 348433304 /nfs/dbraw/zinc/43/33/04/348433304.db2.gz ZMRJELRGNNLQKG-SNVBAGLBSA-N 1 2 238.287 0.980 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215362 348441207 /nfs/dbraw/zinc/44/12/07/348441207.db2.gz AVSQRMWGAVFIBP-AKJDGMEZSA-N 1 2 238.331 0.718 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000596305468 348491921 /nfs/dbraw/zinc/49/19/21/348491921.db2.gz JSQUQQATPBZEOG-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1cnc(N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000596305468 348491924 /nfs/dbraw/zinc/49/19/24/348491924.db2.gz JSQUQQATPBZEOG-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnsn1)CC2 ZINC000374695249 179563072 /nfs/dbraw/zinc/56/30/72/179563072.db2.gz RXDTUTDNRYBTMV-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC ZINC000401901885 348651112 /nfs/dbraw/zinc/65/11/12/348651112.db2.gz FRBIKKJWXPSJQF-HLTSFMKQSA-N 1 2 201.266 0.705 20 0 BCADLO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC ZINC000401901890 348651201 /nfs/dbraw/zinc/65/12/01/348651201.db2.gz FRBIKKJWXPSJQF-YIZRAAEISA-N 1 2 201.266 0.705 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2CC[C@H]2SC)n1 ZINC000597190744 348670942 /nfs/dbraw/zinc/67/09/42/348670942.db2.gz GOWRDCPXPVJZTO-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CC[C@H]2SC)[nH]1 ZINC000597190744 348670946 /nfs/dbraw/zinc/67/09/46/348670946.db2.gz GOWRDCPXPVJZTO-JGVFFNPUSA-N 1 2 242.348 0.935 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000596983235 348643698 /nfs/dbraw/zinc/64/36/98/348643698.db2.gz RGZNRNMJMKNPFZ-LBPRGKRZSA-N 1 2 249.314 0.967 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnn2c1CCC2 ZINC000596983235 348643699 /nfs/dbraw/zinc/64/36/99/348643699.db2.gz RGZNRNMJMKNPFZ-LBPRGKRZSA-N 1 2 249.314 0.967 20 0 BCADLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC000597241891 348686707 /nfs/dbraw/zinc/68/67/07/348686707.db2.gz JMUXMQHEOOXRIM-LJGSYFOKSA-N 1 2 227.289 0.579 20 0 BCADLO CC(=O)N1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000308844915 348852695 /nfs/dbraw/zinc/85/26/95/348852695.db2.gz LUIOEIOTDMFIDO-UHFFFAOYSA-N 1 2 208.265 0.833 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000598984555 349071551 /nfs/dbraw/zinc/07/15/51/349071551.db2.gz OUXGEQFFONTAOQ-NBEYISGCSA-N 1 2 224.264 0.092 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000598984555 349071552 /nfs/dbraw/zinc/07/15/52/349071552.db2.gz OUXGEQFFONTAOQ-NBEYISGCSA-N 1 2 224.264 0.092 20 0 BCADLO CS[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944775 349062958 /nfs/dbraw/zinc/06/29/58/349062958.db2.gz VIDNRHBTPARSBK-YUMQZZPRSA-N 1 2 225.317 0.676 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1cc[nH]n1 ZINC000599293556 349148877 /nfs/dbraw/zinc/14/88/77/349148877.db2.gz ZHOOTZFCSWJQTD-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000599293556 349148881 /nfs/dbraw/zinc/14/88/81/349148881.db2.gz ZHOOTZFCSWJQTD-SNVBAGLBSA-N 1 2 241.291 0.156 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2C[C@@H]2C)CCOC1 ZINC000599340880 349151824 /nfs/dbraw/zinc/15/18/24/349151824.db2.gz AOHQXBPABGXZJF-NGZCFLSTSA-N 1 2 213.277 0.564 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000599301085 349141178 /nfs/dbraw/zinc/14/11/78/349141178.db2.gz DBCQYCBWUOWCAU-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000599301085 349141182 /nfs/dbraw/zinc/14/11/82/349141182.db2.gz DBCQYCBWUOWCAU-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000599301086 349141492 /nfs/dbraw/zinc/14/14/92/349141492.db2.gz DBCQYCBWUOWCAU-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000599301086 349141493 /nfs/dbraw/zinc/14/14/93/349141493.db2.gz DBCQYCBWUOWCAU-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO COc1ccnc(-n2c[nH+]c(CCCO)c2)n1 ZINC000599426407 349185449 /nfs/dbraw/zinc/18/54/49/349185449.db2.gz QONCUEDFFSVSQC-UHFFFAOYSA-N 1 2 234.259 0.596 20 0 BCADLO COC1CC(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000623518024 362940851 /nfs/dbraw/zinc/94/08/51/362940851.db2.gz AIRPPAAIBRRIMD-UHFFFAOYSA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCOC1CCOCC1 ZINC000599393210 349170178 /nfs/dbraw/zinc/17/01/78/349170178.db2.gz FNBZHYOBISAGCA-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCOC1CCOCC1 ZINC000599393210 349170182 /nfs/dbraw/zinc/17/01/82/349170182.db2.gz FNBZHYOBISAGCA-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CCOC[C@@H]1C[N@H+](CCCC(=O)OC)CCO1 ZINC000599618139 349228810 /nfs/dbraw/zinc/22/88/10/349228810.db2.gz KJYRKRCWPZEDKG-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC[C@@H]1C[N@@H+](CCCC(=O)OC)CCO1 ZINC000599618139 349228815 /nfs/dbraw/zinc/22/88/15/349228815.db2.gz KJYRKRCWPZEDKG-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625220 349230431 /nfs/dbraw/zinc/23/04/31/349230431.db2.gz LIWWOUKHLIJNHD-WYCDGMCDSA-N 1 2 215.293 0.949 20 0 BCADLO CNC(=O)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000599448213 349196204 /nfs/dbraw/zinc/19/62/04/349196204.db2.gz AGRRDXJZTHTPHE-UHFFFAOYSA-N 1 2 222.292 0.782 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cncnc2)C1 ZINC000130142562 490236672 /nfs/dbraw/zinc/23/66/72/490236672.db2.gz STUPDRWRNHXMSP-VIFPVBQESA-N 1 2 247.220 0.976 20 0 BCADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cncnc2)C1 ZINC000130142562 490236674 /nfs/dbraw/zinc/23/66/74/490236674.db2.gz STUPDRWRNHXMSP-VIFPVBQESA-N 1 2 247.220 0.976 20 0 BCADLO Cc1[nH]c(CN2CCO[C@H]([C@@H](C)O)C2)[nH+]c1C ZINC000628313667 349260234 /nfs/dbraw/zinc/26/02/34/349260234.db2.gz XIYAARFBRSAENX-MNOVXSKESA-N 1 2 239.319 0.608 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969105 349405872 /nfs/dbraw/zinc/40/58/72/349405872.db2.gz ISFHLMCZXZKOKX-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969105 349405874 /nfs/dbraw/zinc/40/58/74/349405874.db2.gz ISFHLMCZXZKOKX-UWVGGRQHSA-N 1 2 242.319 0.491 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCO)CC1 ZINC000603759303 350024719 /nfs/dbraw/zinc/02/47/19/350024719.db2.gz VWGHGJAUSITUKH-SNVBAGLBSA-N 1 2 246.376 0.265 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977629 349413441 /nfs/dbraw/zinc/41/34/41/349413441.db2.gz VTUXOBBTUVZHQW-SFYZADRCSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977629 349413443 /nfs/dbraw/zinc/41/34/43/349413443.db2.gz VTUXOBBTUVZHQW-SFYZADRCSA-N 1 2 237.246 0.904 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000051736040 350080512 /nfs/dbraw/zinc/08/05/12/350080512.db2.gz AJRIDZBFNIYOHQ-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000051736040 350080517 /nfs/dbraw/zinc/08/05/17/350080517.db2.gz AJRIDZBFNIYOHQ-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCc1ncc[nH]1 ZINC000603870527 350047173 /nfs/dbraw/zinc/04/71/73/350047173.db2.gz RCGWHSCMMQEIBO-UHFFFAOYSA-N 1 2 233.275 0.703 20 0 BCADLO CS[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291541094 350066241 /nfs/dbraw/zinc/06/62/41/350066241.db2.gz XMIWORCYVSWRAP-SSDOTTSWSA-N 1 2 213.306 0.788 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000131630260 191015905 /nfs/dbraw/zinc/01/59/05/191015905.db2.gz MPKFVAJIDWSIPW-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000131630260 191015908 /nfs/dbraw/zinc/01/59/08/191015908.db2.gz MPKFVAJIDWSIPW-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO Cc1cc(CN[C@H](C)[C@@H]2C[N@H+](C)CCO2)on1 ZINC000631093311 350115745 /nfs/dbraw/zinc/11/57/45/350115745.db2.gz JWZVOEQNCZPJMO-PWSUYJOCSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1cc(CN[C@H](C)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC000631093311 350115746 /nfs/dbraw/zinc/11/57/46/350115746.db2.gz JWZVOEQNCZPJMO-PWSUYJOCSA-N 1 2 239.319 0.792 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000340276081 180047279 /nfs/dbraw/zinc/04/72/79/180047279.db2.gz CCGZRHBQWLBXOA-IONNQARKSA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](CO)C2)no1 ZINC000340276081 180047282 /nfs/dbraw/zinc/04/72/82/180047282.db2.gz CCGZRHBQWLBXOA-IONNQARKSA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCO2)no1 ZINC000352358431 180051451 /nfs/dbraw/zinc/05/14/51/180051451.db2.gz UXONJADWESMIJN-HGNGGELXSA-N 1 2 241.291 0.569 20 0 BCADLO Cc1nc(N2C[C@H](O)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000277434487 180068547 /nfs/dbraw/zinc/06/85/47/180068547.db2.gz MPQODSIJXZFURJ-RYUDHWBXSA-N 1 2 249.314 0.206 20 0 BCADLO Cc1nc(N[C@@H]2COC[C@H]2O)c2c([nH+]1)CCCC2 ZINC000295996338 180070828 /nfs/dbraw/zinc/07/08/28/180070828.db2.gz MJYUZVXVTBZNHN-VXGBXAGGSA-N 1 2 249.314 0.835 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000290358639 180112439 /nfs/dbraw/zinc/11/24/39/180112439.db2.gz GMQIJOXLXGEQAI-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000290358639 180112441 /nfs/dbraw/zinc/11/24/41/180112441.db2.gz GMQIJOXLXGEQAI-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)O ZINC000041288042 180102971 /nfs/dbraw/zinc/10/29/71/180102971.db2.gz BIJPVGABAZSDMG-VIFPVBQESA-N 1 2 247.298 0.842 20 0 BCADLO Cc1[nH]c(C(=O)NCCn2cccn2)c[nH+]1 ZINC000339242884 180130097 /nfs/dbraw/zinc/13/00/97/180130097.db2.gz YWENCHATMHRPHN-UHFFFAOYSA-N 1 2 219.248 0.345 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](C)C[C@H](C)O)c[nH+]1 ZINC000333982449 180130930 /nfs/dbraw/zinc/13/09/30/180130930.db2.gz BKHDRLZUVLLWLI-YUMQZZPRSA-N 1 2 225.292 0.855 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccc(C(N)=O)o2)c[nH+]1 ZINC000339269653 180131224 /nfs/dbraw/zinc/13/12/24/180131224.db2.gz VYGUAJNKEORBEU-UHFFFAOYSA-N 1 2 248.242 0.340 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCc3n[nH]cc3C2)c[nH+]1 ZINC000332251329 180133680 /nfs/dbraw/zinc/13/36/80/180133680.db2.gz SOIJAKATMCPTEJ-VIFPVBQESA-N 1 2 245.286 0.729 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCF ZINC000532618127 323278631 /nfs/dbraw/zinc/27/86/31/323278631.db2.gz HKZZIIKNMNFVNV-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCF ZINC000532618127 323278632 /nfs/dbraw/zinc/27/86/32/323278632.db2.gz HKZZIIKNMNFVNV-SNVBAGLBSA-N 1 2 247.314 0.366 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000338973149 180142660 /nfs/dbraw/zinc/14/26/60/180142660.db2.gz LAVKBFATCJVKCQ-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1ncc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000338973149 180142662 /nfs/dbraw/zinc/14/26/62/180142662.db2.gz LAVKBFATCJVKCQ-LLVKDONJSA-N 1 2 234.303 0.625 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@](C)(O)C1CCC1 ZINC000362855383 180118761 /nfs/dbraw/zinc/11/87/61/180118761.db2.gz MOSWPQULCDVLGP-LBPRGKRZSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000336452544 180119332 /nfs/dbraw/zinc/11/93/32/180119332.db2.gz BJIAQHYNOUICAQ-NXEZZACHSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@@H](O)C1 ZINC000339224568 180119707 /nfs/dbraw/zinc/11/97/07/180119707.db2.gz JCSHDFUUZLPRFA-DTWKUNHWSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCO[C@H]1C ZINC000335946597 180120433 /nfs/dbraw/zinc/12/04/33/180120433.db2.gz HGUAQWAOWNMVSS-DTWKUNHWSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)s1 ZINC000299463257 180144320 /nfs/dbraw/zinc/14/43/20/180144320.db2.gz GHWUAIZLUGNOHY-SECBINFHSA-N 1 2 241.316 0.138 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@H](C(N)=O)C2)s1 ZINC000299463257 180144322 /nfs/dbraw/zinc/14/43/22/180144322.db2.gz GHWUAIZLUGNOHY-SECBINFHSA-N 1 2 241.316 0.138 20 0 BCADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637100895 350200448 /nfs/dbraw/zinc/20/04/48/350200448.db2.gz VMOLFCIRIPWWFF-OHBODLIOSA-N 1 2 246.314 0.906 20 0 BCADLO Cc1ncc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000356285316 180146845 /nfs/dbraw/zinc/14/68/45/180146845.db2.gz QHZQGAYHGDAISU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000356285316 180146849 /nfs/dbraw/zinc/14/68/49/180146849.db2.gz QHZQGAYHGDAISU-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cn1ncc2c1nc(N1CCCCC1)[nH+]c2N ZINC000005932637 350201798 /nfs/dbraw/zinc/20/17/98/350201798.db2.gz XOQXMHMLTPLJEX-UHFFFAOYSA-N 1 2 232.291 0.936 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@H]2CO)cc[nH+]1 ZINC000276042438 180194268 /nfs/dbraw/zinc/19/42/68/180194268.db2.gz NPYZVSUQQRJINY-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@@]3(CNC(=O)C3)C2)cc[nH+]1 ZINC000279139837 180194575 /nfs/dbraw/zinc/19/45/75/180194575.db2.gz RURMROSIXWOCGX-GFCCVEGCSA-N 1 2 232.287 0.501 20 0 BCADLO Cc1nc(N2CC[C@H]([C@H](C)O)C2)cc[nH+]1 ZINC000228161776 180195038 /nfs/dbraw/zinc/19/50/38/180195038.db2.gz UBWSFHAKBHJCBA-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[C@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000166036586 180195283 /nfs/dbraw/zinc/19/52/83/180195283.db2.gz UBWSFHAKBHJCBA-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(NCCNC(=O)C(C)C)cc[nH+]1 ZINC000266159511 180198472 /nfs/dbraw/zinc/19/84/72/180198472.db2.gz NAZIRVDGEOQNAM-UHFFFAOYSA-N 1 2 222.292 0.969 20 0 BCADLO Cc1nc(NCc2cnnn2C)cc[nH+]1 ZINC000288122562 180202826 /nfs/dbraw/zinc/20/28/26/180202826.db2.gz CXCORLLROXJZOW-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BCADLO Cc1nc(N[C@@H]2CC(=O)N(C(C)C)C2=O)cc[nH+]1 ZINC000127605165 180203065 /nfs/dbraw/zinc/20/30/65/180203065.db2.gz IMVVDIUCRYNBBG-SECBINFHSA-N 1 2 248.286 0.733 20 0 BCADLO Cc1nc(N[C@@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000336753568 180203540 /nfs/dbraw/zinc/20/35/40/180203540.db2.gz FAWQRJFDOVZGGB-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO Cc1nc(N[C@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000336753569 180205615 /nfs/dbraw/zinc/20/56/15/180205615.db2.gz FAWQRJFDOVZGGB-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO Cc1nccc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072351179 180208871 /nfs/dbraw/zinc/20/88/71/180208871.db2.gz KGRJNGBFLRDFHP-JTQLQIEISA-N 1 2 234.303 0.450 20 0 BCADLO Cc1nccc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072351179 180208874 /nfs/dbraw/zinc/20/88/74/180208874.db2.gz KGRJNGBFLRDFHP-JTQLQIEISA-N 1 2 234.303 0.450 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1 ZINC000427457870 191075762 /nfs/dbraw/zinc/07/57/62/191075762.db2.gz GLVVXUVYWDHNMK-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@](F)(CO)C2)n1 ZINC000338586750 180185247 /nfs/dbraw/zinc/18/52/47/180185247.db2.gz GAHDPRYATXXUGY-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@](F)(CO)C2)n1 ZINC000338586750 180185249 /nfs/dbraw/zinc/18/52/49/180185249.db2.gz GAHDPRYATXXUGY-LLVKDONJSA-N 1 2 225.267 0.691 20 0 BCADLO Cc1nccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000353553220 180185811 /nfs/dbraw/zinc/18/58/11/180185811.db2.gz CBTVYNBIQNJHHY-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)n1 ZINC000352973830 180186044 /nfs/dbraw/zinc/18/60/44/180186044.db2.gz CDUORVZFVNHSBF-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)n1 ZINC000352973830 180186046 /nfs/dbraw/zinc/18/60/46/180186046.db2.gz CDUORVZFVNHSBF-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC=CC1 ZINC000637157654 350225106 /nfs/dbraw/zinc/22/51/06/350225106.db2.gz ZEQLFUOXKCRZOU-VIFPVBQESA-N 1 2 232.287 0.848 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC=CC1 ZINC000637157654 350225111 /nfs/dbraw/zinc/22/51/11/350225111.db2.gz ZEQLFUOXKCRZOU-VIFPVBQESA-N 1 2 232.287 0.848 20 0 BCADLO Cc1ncccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000264452593 180213223 /nfs/dbraw/zinc/21/32/23/180213223.db2.gz IKSWJUGSAKTTIU-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264452593 180213226 /nfs/dbraw/zinc/21/32/26/180213226.db2.gz IKSWJUGSAKTTIU-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000123521772 180221547 /nfs/dbraw/zinc/22/15/47/180221547.db2.gz KQOCBUGJLDLSBV-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ncccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000123521772 180221549 /nfs/dbraw/zinc/22/15/49/180221549.db2.gz KQOCBUGJLDLSBV-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ncccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266858221 180226106 /nfs/dbraw/zinc/22/61/06/180226106.db2.gz AFGWMWJBXYXIHC-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ncccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266858221 180226109 /nfs/dbraw/zinc/22/61/09/180226109.db2.gz AFGWMWJBXYXIHC-LLVKDONJSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ncccc1O[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000372828226 180227450 /nfs/dbraw/zinc/22/74/50/180227450.db2.gz BAZVCXJOMCBZMM-JTQLQIEISA-N 1 2 235.287 0.328 20 0 BCADLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000372828226 180227452 /nfs/dbraw/zinc/22/74/52/180227452.db2.gz BAZVCXJOMCBZMM-JTQLQIEISA-N 1 2 235.287 0.328 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000428308300 191081091 /nfs/dbraw/zinc/08/10/91/191081091.db2.gz ZOKAVILQCFGCDM-DTWKUNHWSA-N 1 2 224.308 0.741 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000428308300 191081093 /nfs/dbraw/zinc/08/10/93/191081093.db2.gz ZOKAVILQCFGCDM-DTWKUNHWSA-N 1 2 224.308 0.741 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000107043470 538080648 /nfs/dbraw/zinc/08/06/48/538080648.db2.gz OHOKOHGWFUYUQM-JTQLQIEISA-N 1 2 241.339 0.845 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C[C@H](C)O)C(C)C ZINC000107043470 538080652 /nfs/dbraw/zinc/08/06/52/538080652.db2.gz OHOKOHGWFUYUQM-JTQLQIEISA-N 1 2 241.339 0.845 20 0 BCADLO Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062133237 180256660 /nfs/dbraw/zinc/25/66/60/180256660.db2.gz VYFXWLLWSBDSNC-JTQLQIEISA-N 1 2 223.276 0.598 20 0 BCADLO Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062133237 180256662 /nfs/dbraw/zinc/25/66/62/180256662.db2.gz VYFXWLLWSBDSNC-JTQLQIEISA-N 1 2 223.276 0.598 20 0 BCADLO Cc1nccnc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000214482236 180277694 /nfs/dbraw/zinc/27/76/94/180277694.db2.gz LXFQIDYJRFTQAT-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1nccnc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000214482236 180277695 /nfs/dbraw/zinc/27/76/95/180277695.db2.gz LXFQIDYJRFTQAT-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1nccnc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000290636407 180278742 /nfs/dbraw/zinc/27/87/42/180278742.db2.gz NFDVDDWJNTXJGD-LLVKDONJSA-N 1 2 249.362 0.833 20 0 BCADLO CN(CC[NH2+]Cc1ccn[nH]1)CC(F)F ZINC000623831128 350321298 /nfs/dbraw/zinc/32/12/98/350321298.db2.gz VCXDTZUTPROFAL-UHFFFAOYSA-N 1 2 218.251 0.696 20 0 BCADLO CC[C@@H](CCO)NC(=O)CCCn1cc[nH+]c1 ZINC000305186033 490447795 /nfs/dbraw/zinc/44/77/95/490447795.db2.gz XQAOJVZBSCNYSH-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000336210563 180298301 /nfs/dbraw/zinc/29/83/01/180298301.db2.gz KPCYFJCXIDFWIS-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000336210563 180298303 /nfs/dbraw/zinc/29/83/03/180298303.db2.gz KPCYFJCXIDFWIS-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncoc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000353956105 180301023 /nfs/dbraw/zinc/30/10/23/180301023.db2.gz QHUJJIVBQSWWGZ-MRVPVSSYSA-N 1 2 234.259 0.998 20 0 BCADLO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccn[nH]1 ZINC000309379807 350361207 /nfs/dbraw/zinc/36/12/07/350361207.db2.gz ADTWSSQPZDRINE-VIFPVBQESA-N 1 2 217.276 0.921 20 0 BCADLO O=C(C[NH2+]Cc1cscn1)NC1CC1 ZINC000040421186 350362972 /nfs/dbraw/zinc/36/29/72/350362972.db2.gz MXPYRFVIMCTCMR-UHFFFAOYSA-N 1 2 211.290 0.511 20 0 BCADLO Cc1ncsc1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000172533302 180309720 /nfs/dbraw/zinc/30/97/20/180309720.db2.gz CVRYKKWOUJHOPO-VIFPVBQESA-N 1 2 239.344 0.814 20 0 BCADLO Cc1ncsc1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000172533302 180309721 /nfs/dbraw/zinc/30/97/21/180309721.db2.gz CVRYKKWOUJHOPO-VIFPVBQESA-N 1 2 239.344 0.814 20 0 BCADLO CCO[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000606439148 350333503 /nfs/dbraw/zinc/33/35/03/350333503.db2.gz HKLKYWKFWNAJFP-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CCO[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000606439148 350333506 /nfs/dbraw/zinc/33/35/06/350333506.db2.gz HKLKYWKFWNAJFP-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@@H](C)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637271226 350370196 /nfs/dbraw/zinc/37/01/96/350370196.db2.gz RPFBQWQGYMPOKI-IUCAKERBSA-N 1 2 238.291 0.142 20 0 BCADLO O=C(NCCO)Nc1ccc2[nH+]ccn2c1 ZINC000606583784 350373022 /nfs/dbraw/zinc/37/30/22/350373022.db2.gz NVXACNVJAKNVED-UHFFFAOYSA-N 1 2 220.232 0.448 20 0 BCADLO Cc1nn(C(C)(C)C)c(=O)n1Cc1c[nH+]cn1C ZINC000273404046 180332270 /nfs/dbraw/zinc/33/22/70/180332270.db2.gz AFRPQBWHCLJIPE-UHFFFAOYSA-N 1 2 249.318 0.890 20 0 BCADLO Cc1cc(NCCCS(C)(=O)=O)nc[nH+]1 ZINC000040727372 350396050 /nfs/dbraw/zinc/39/60/50/350396050.db2.gz ZSWZFZOKULOVGI-UHFFFAOYSA-N 1 2 229.305 0.632 20 0 BCADLO COC(=O)c1occc1C[NH2+]CC(=O)N(C)C ZINC000035275894 358456456 /nfs/dbraw/zinc/45/64/56/358456456.db2.gz OZPJAUXADGXSCV-UHFFFAOYSA-N 1 2 240.259 0.244 20 0 BCADLO Cc1c[nH]c(C[NH+]2CC(C(C)(C)O)C2)n1 ZINC000628306858 350433420 /nfs/dbraw/zinc/43/34/20/350433420.db2.gz ADFACJZJMNKNCE-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO CC[N@H+](Cc1nnc(C)n1C)[C@H]1CCOC1 ZINC000336650864 350419614 /nfs/dbraw/zinc/41/96/14/350419614.db2.gz HSHQJIHBJPDYMN-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO CC[N@@H+](Cc1nnc(C)n1C)[C@H]1CCOC1 ZINC000336650864 350419618 /nfs/dbraw/zinc/41/96/18/350419618.db2.gz HSHQJIHBJPDYMN-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000336379385 180337623 /nfs/dbraw/zinc/33/76/23/180337623.db2.gz YMOPCBLRCQQWHX-LLVKDONJSA-N 1 2 236.319 0.357 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000336379385 180337624 /nfs/dbraw/zinc/33/76/24/180337624.db2.gz YMOPCBLRCQQWHX-LLVKDONJSA-N 1 2 236.319 0.357 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CSC)C(C)(C)C ZINC000309426331 350452840 /nfs/dbraw/zinc/45/28/40/350452840.db2.gz FIMTTWGPBMCDOW-RKDXNWHRSA-N 1 2 249.376 0.888 20 0 BCADLO Cc1nn(C)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290873852 180367471 /nfs/dbraw/zinc/36/74/71/180367471.db2.gz CWDMPHHYSKCXAL-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@H]1O ZINC000309439315 350459243 /nfs/dbraw/zinc/45/92/43/350459243.db2.gz ZCZYIGCWZOZGPB-VHSXEESVSA-N 1 2 223.276 0.160 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000309380075 323349687 /nfs/dbraw/zinc/34/96/87/323349687.db2.gz QSWATLHGTMOUIY-JTQLQIEISA-N 1 2 225.292 0.406 20 0 BCADLO Nc1nc(NCCO)[nH+]c2ccccc12 ZINC000041146480 350472972 /nfs/dbraw/zinc/47/29/72/350472972.db2.gz NLAFPSMUSGONLN-UHFFFAOYSA-N 1 2 204.233 0.616 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1CCO ZINC000581700347 350484101 /nfs/dbraw/zinc/48/41/01/350484101.db2.gz WKYPCIWVMWOHAX-WDEREUQCSA-N 1 2 237.303 0.550 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070007720 350489386 /nfs/dbraw/zinc/48/93/86/350489386.db2.gz HBBJACZWUCLEPO-IUCAKERBSA-N 1 2 224.308 0.595 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCCOCC1 ZINC000059951126 350496681 /nfs/dbraw/zinc/49/66/81/350496681.db2.gz NYHNGBSRXWQMOY-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCCOCC1 ZINC000059951126 350496684 /nfs/dbraw/zinc/49/66/84/350496684.db2.gz NYHNGBSRXWQMOY-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061919394 350533763 /nfs/dbraw/zinc/53/37/63/350533763.db2.gz XRBCUSFPYPUGLR-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000061919394 350533766 /nfs/dbraw/zinc/53/37/66/350533766.db2.gz XRBCUSFPYPUGLR-SECBINFHSA-N 1 2 201.266 0.660 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCOC1 ZINC000577499627 365970441 /nfs/dbraw/zinc/97/04/41/365970441.db2.gz DVVDCERJNFYFIA-NSHDSACASA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](C[N@@H+]1CCOC[C@H]1C)CS(C)(=O)=O ZINC000336647389 350565164 /nfs/dbraw/zinc/56/51/64/350565164.db2.gz MJXDLRVKQSPYCM-VHSXEESVSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@@H](C[N@H+]1CCOC[C@H]1C)CS(C)(=O)=O ZINC000336647389 350565165 /nfs/dbraw/zinc/56/51/65/350565165.db2.gz MJXDLRVKQSPYCM-VHSXEESVSA-N 1 2 235.349 0.388 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@@H]1C ZINC000637443186 350584486 /nfs/dbraw/zinc/58/44/86/350584486.db2.gz VRPASJZVZDYXBG-MXWKQRLJSA-N 1 2 241.335 0.367 20 0 BCADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@@H]1C ZINC000637443186 350584488 /nfs/dbraw/zinc/58/44/88/350584488.db2.gz VRPASJZVZDYXBG-MXWKQRLJSA-N 1 2 241.335 0.367 20 0 BCADLO CN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000637447041 350587628 /nfs/dbraw/zinc/58/76/28/350587628.db2.gz NROVFVWHNMFMSD-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000637447041 350587630 /nfs/dbraw/zinc/58/76/30/350587630.db2.gz NROVFVWHNMFMSD-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000637446906 350587814 /nfs/dbraw/zinc/58/78/14/350587814.db2.gz URKFAUYRPDEQKD-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000637446906 350587818 /nfs/dbraw/zinc/58/78/18/350587818.db2.gz URKFAUYRPDEQKD-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CN(C)C(=O)CCC[N@H+](CCO)CC(F)F ZINC000231344343 350617959 /nfs/dbraw/zinc/61/79/59/350617959.db2.gz KKXBMIRISGBXBH-UHFFFAOYSA-N 1 2 238.278 0.414 20 0 BCADLO CN(C)C(=O)CCC[N@@H+](CCO)CC(F)F ZINC000231344343 350617963 /nfs/dbraw/zinc/61/79/63/350617963.db2.gz KKXBMIRISGBXBH-UHFFFAOYSA-N 1 2 238.278 0.414 20 0 BCADLO Cc1ncc(C[NH2+]CC(=O)NC2CC2)o1 ZINC000397942431 362972204 /nfs/dbraw/zinc/97/22/04/362972204.db2.gz ZGWXPJQHWJJOOZ-UHFFFAOYSA-N 1 2 209.249 0.351 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000577542310 365982498 /nfs/dbraw/zinc/98/24/98/365982498.db2.gz PXAFNMJUZKXLRO-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000577542310 365982502 /nfs/dbraw/zinc/98/25/02/365982502.db2.gz PXAFNMJUZKXLRO-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000365855159 350648790 /nfs/dbraw/zinc/64/87/90/350648790.db2.gz GZNSLLOWQAFOPZ-GFCCVEGCSA-N 1 2 237.303 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000365855159 350648793 /nfs/dbraw/zinc/64/87/93/350648793.db2.gz GZNSLLOWQAFOPZ-GFCCVEGCSA-N 1 2 237.303 0.979 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000365855160 350649025 /nfs/dbraw/zinc/64/90/25/350649025.db2.gz GZNSLLOWQAFOPZ-LBPRGKRZSA-N 1 2 237.303 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000365855160 350649028 /nfs/dbraw/zinc/64/90/28/350649028.db2.gz GZNSLLOWQAFOPZ-LBPRGKRZSA-N 1 2 237.303 0.979 20 0 BCADLO OCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902139 350627090 /nfs/dbraw/zinc/62/70/90/350627090.db2.gz CXAACUZTHSYTDL-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO OCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902139 350627094 /nfs/dbraw/zinc/62/70/94/350627094.db2.gz CXAACUZTHSYTDL-SSDOTTSWSA-N 1 2 213.199 0.632 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@](O)(CO)C2)[nH]c1C ZINC000628307992 350707168 /nfs/dbraw/zinc/70/71/68/350707168.db2.gz PCKLWZRECNZNMJ-GFCCVEGCSA-N 1 2 239.319 0.346 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@](O)(CO)C2)[nH]c1C ZINC000628307992 350707170 /nfs/dbraw/zinc/70/71/70/350707170.db2.gz PCKLWZRECNZNMJ-GFCCVEGCSA-N 1 2 239.319 0.346 20 0 BCADLO Cc1[nH]c(CN2CCC[C@](O)(CO)C2)[nH+]c1C ZINC000628307992 350707172 /nfs/dbraw/zinc/70/71/72/350707172.db2.gz PCKLWZRECNZNMJ-GFCCVEGCSA-N 1 2 239.319 0.346 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593227 350697945 /nfs/dbraw/zinc/69/79/45/350697945.db2.gz PSGXMHCQQHZKHZ-PWSUYJOCSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593227 350697947 /nfs/dbraw/zinc/69/79/47/350697947.db2.gz PSGXMHCQQHZKHZ-PWSUYJOCSA-N 1 2 246.326 0.553 20 0 BCADLO COC(=O)c1cnc(NCc2[nH+]ccn2C)cn1 ZINC000234585861 350699910 /nfs/dbraw/zinc/69/99/10/350699910.db2.gz OQEMQRLANZOULL-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](CO)C1CCC1 ZINC000617311609 350721272 /nfs/dbraw/zinc/72/12/72/350721272.db2.gz IBPFTOACTZFJAJ-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO CC[C@@H](O)CCNC(=O)CCc1c[nH+]cn1C ZINC000339173885 350738284 /nfs/dbraw/zinc/73/82/84/350738284.db2.gz KPUALUGVDGRWDO-LLVKDONJSA-N 1 2 239.319 0.630 20 0 BCADLO CCc1nnc(C[N@@H+](CC)[C@H](C)CO)[nH]1 ZINC000339628072 350769401 /nfs/dbraw/zinc/76/94/01/350769401.db2.gz QWBSJWKWOVGBJF-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@H+](CC)[C@H](C)CO)[nH]1 ZINC000339628072 350769403 /nfs/dbraw/zinc/76/94/03/350769403.db2.gz QWBSJWKWOVGBJF-MRVPVSSYSA-N 1 2 212.297 0.570 20 0 BCADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)CO ZINC000339627615 350769797 /nfs/dbraw/zinc/76/97/97/350769797.db2.gz LZMRXFMXMIWWRO-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)CO ZINC000339627615 350769799 /nfs/dbraw/zinc/76/97/99/350769799.db2.gz LZMRXFMXMIWWRO-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@@H](C)CO ZINC000339631306 350770486 /nfs/dbraw/zinc/77/04/86/350770486.db2.gz VBDXFVDATQHOPJ-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@@H](C)CO ZINC000339631306 350770491 /nfs/dbraw/zinc/77/04/91/350770491.db2.gz VBDXFVDATQHOPJ-QMMMGPOBSA-N 1 2 224.308 0.885 20 0 BCADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009880 350907976 /nfs/dbraw/zinc/90/79/76/350907976.db2.gz GKRVIMALWYOLIA-VIFPVBQESA-N 1 2 223.276 0.866 20 0 BCADLO CNC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009880 350907979 /nfs/dbraw/zinc/90/79/79/350907979.db2.gz GKRVIMALWYOLIA-VIFPVBQESA-N 1 2 223.276 0.866 20 0 BCADLO OCCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000607141424 350940074 /nfs/dbraw/zinc/94/00/74/350940074.db2.gz XELWAQIYFYEGKN-UHFFFAOYSA-N 1 2 222.273 0.747 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000637623287 350921275 /nfs/dbraw/zinc/92/12/75/350921275.db2.gz WQRMKUNLMOQQMA-VHSXEESVSA-N 1 2 238.291 0.397 20 0 BCADLO CCc1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000052396031 350995434 /nfs/dbraw/zinc/99/54/34/350995434.db2.gz WMDPDTDQHVXZHC-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCc1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000052396031 350995438 /nfs/dbraw/zinc/99/54/38/350995438.db2.gz WMDPDTDQHVXZHC-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000070753481 351066207 /nfs/dbraw/zinc/06/62/07/351066207.db2.gz LNUPJZUEOQIOTI-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000070753481 351066211 /nfs/dbraw/zinc/06/62/11/351066211.db2.gz LNUPJZUEOQIOTI-JTQLQIEISA-N 1 2 238.335 0.767 20 0 BCADLO Cc1[nH]c(CN(C[C@H](O)CO)C(C)C)[nH+]c1C ZINC000628316117 351046235 /nfs/dbraw/zinc/04/62/35/351046235.db2.gz JOKNQJXMBAKFPT-NSHDSACASA-N 1 2 241.335 0.590 20 0 BCADLO O=C(Cc1cc[nH]n1)NCCNc1cccc[nH+]1 ZINC000265887624 351056114 /nfs/dbraw/zinc/05/61/14/351056114.db2.gz DWPKNAKNTXJVMP-UHFFFAOYSA-N 1 2 245.286 0.576 20 0 BCADLO Cc1ncsc1C[NH2+]Cc1cnn[nH]1 ZINC000398361029 351122971 /nfs/dbraw/zinc/12/29/71/351122971.db2.gz JLEJORHHYKAPBS-UHFFFAOYSA-N 1 2 209.278 0.859 20 0 BCADLO CC(C)Cn1nccc1C[NH2+]Cc1cnn[nH]1 ZINC000623578576 363011314 /nfs/dbraw/zinc/01/13/14/363011314.db2.gz NYWGQNBXRUNQMX-UHFFFAOYSA-N 1 2 234.307 0.947 20 0 BCADLO Cc1c[nH]c(CN2CC(C)(C(N)=O)C2)[nH+]1 ZINC000628321437 351183413 /nfs/dbraw/zinc/18/34/13/351183413.db2.gz HLRVYAWLMVYQMW-UHFFFAOYSA-N 1 2 208.265 0.025 20 0 BCADLO Cc1c[nH]c(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000628321437 351183417 /nfs/dbraw/zinc/18/34/17/351183417.db2.gz HLRVYAWLMVYQMW-UHFFFAOYSA-N 1 2 208.265 0.025 20 0 BCADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1nccs1 ZINC000172802280 351187269 /nfs/dbraw/zinc/18/72/69/351187269.db2.gz DISTWRZADXHEFV-QMMMGPOBSA-N 1 2 241.316 0.437 20 0 BCADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccs1 ZINC000172802280 351187276 /nfs/dbraw/zinc/18/72/76/351187276.db2.gz DISTWRZADXHEFV-QMMMGPOBSA-N 1 2 241.316 0.437 20 0 BCADLO c1nn[nH]c1C[NH2+]Cc1cccc2c1OCO2 ZINC000398380823 351128268 /nfs/dbraw/zinc/12/82/68/351128268.db2.gz VLSHPRRQLKWVTR-UHFFFAOYSA-N 1 2 232.243 0.823 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C)c[nH]1 ZINC000628324502 351236635 /nfs/dbraw/zinc/23/66/35/351236635.db2.gz WOHSIUGQUPELEY-VHSXEESVSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C)c[nH]1 ZINC000628324502 351236637 /nfs/dbraw/zinc/23/66/37/351236637.db2.gz WOHSIUGQUPELEY-VHSXEESVSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628324345 351236781 /nfs/dbraw/zinc/23/67/81/351236781.db2.gz OWUFZLIEYRHGNZ-WDEREUQCSA-N 1 2 239.319 0.608 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628324345 351236783 /nfs/dbraw/zinc/23/67/83/351236783.db2.gz OWUFZLIEYRHGNZ-WDEREUQCSA-N 1 2 239.319 0.608 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628324345 351236785 /nfs/dbraw/zinc/23/67/85/351236785.db2.gz OWUFZLIEYRHGNZ-WDEREUQCSA-N 1 2 239.319 0.608 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCO)s1 ZINC000680050619 487527465 /nfs/dbraw/zinc/52/74/65/487527465.db2.gz AOEWVGFXEPVXGW-UHFFFAOYSA-N 1 2 215.322 0.915 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCO)s1 ZINC000680050619 487527466 /nfs/dbraw/zinc/52/74/66/487527466.db2.gz AOEWVGFXEPVXGW-UHFFFAOYSA-N 1 2 215.322 0.915 20 0 BCADLO Cc1c[nH]c(CN(C)Cc2cn(C)nn2)[nH+]1 ZINC000628340989 351284844 /nfs/dbraw/zinc/28/48/44/351284844.db2.gz ZQKPANLNVPDCHG-UHFFFAOYSA-N 1 2 220.280 0.479 20 0 BCADLO CC(C)CN1CC(=O)N[C@@H]1c1c[nH]c[nH+]1 ZINC000266240509 351287091 /nfs/dbraw/zinc/28/70/91/351287091.db2.gz WZWFYLALEHPXMH-JTQLQIEISA-N 1 2 208.265 0.496 20 0 BCADLO COC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000313249366 351297050 /nfs/dbraw/zinc/29/70/50/351297050.db2.gz IDVMJLGVQZHXFX-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO CCn1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000072563703 351275794 /nfs/dbraw/zinc/27/57/94/351275794.db2.gz JOXNVFZETJHNSM-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO C[C@@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270959384 351392453 /nfs/dbraw/zinc/39/24/53/351392453.db2.gz QOKFKNCDRLBAHC-MRVPVSSYSA-N 1 2 223.276 0.497 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000366791255 351347227 /nfs/dbraw/zinc/34/72/27/351347227.db2.gz CIFQTOBNIPNTQE-ZNSHCXBVSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000366791255 351347229 /nfs/dbraw/zinc/34/72/29/351347229.db2.gz CIFQTOBNIPNTQE-ZNSHCXBVSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000366791251 351347413 /nfs/dbraw/zinc/34/74/13/351347413.db2.gz CIFQTOBNIPNTQE-VLEAKVRGSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000366791251 351347415 /nfs/dbraw/zinc/34/74/15/351347415.db2.gz CIFQTOBNIPNTQE-VLEAKVRGSA-N 1 2 243.303 0.162 20 0 BCADLO CCN1CCN(Cc2[nH+]ccn2C)CC1=O ZINC000273368267 351523801 /nfs/dbraw/zinc/52/38/01/351523801.db2.gz BLHBCDWBLJLYIW-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CCN1CC[N@H+](Cc2c(C)n[nH]c2C)CC1=O ZINC000273368085 351523938 /nfs/dbraw/zinc/52/39/38/351523938.db2.gz DSGHNUVULJZPGQ-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCN1CC[N@@H+](Cc2c(C)n[nH]c2C)CC1=O ZINC000273368085 351523939 /nfs/dbraw/zinc/52/39/39/351523939.db2.gz DSGHNUVULJZPGQ-UHFFFAOYSA-N 1 2 236.319 0.691 20 0 BCADLO CCN1CC[N@H+](CCc2cnn(C)c2)CC1=O ZINC000273387232 351526041 /nfs/dbraw/zinc/52/60/41/351526041.db2.gz DMMTTWMVJVUCRT-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO CCN1CC[N@@H+](CCc2cnn(C)c2)CC1=O ZINC000273387232 351526044 /nfs/dbraw/zinc/52/60/44/351526044.db2.gz DMMTTWMVJVUCRT-UHFFFAOYSA-N 1 2 236.319 0.127 20 0 BCADLO Cc1cc(CC(=O)NCc2[nH]c[nH+]c2C)n(C)n1 ZINC000577636368 366028523 /nfs/dbraw/zinc/02/85/23/366028523.db2.gz QXCBCOLFWHKNMJ-UHFFFAOYSA-N 1 2 247.302 0.619 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccnc1 ZINC000088094455 351597110 /nfs/dbraw/zinc/59/71/10/351597110.db2.gz BBMONUSWJPUEJS-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccnc1 ZINC000088094455 351597114 /nfs/dbraw/zinc/59/71/14/351597114.db2.gz BBMONUSWJPUEJS-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccnc1 ZINC000088094456 351597711 /nfs/dbraw/zinc/59/77/11/351597711.db2.gz BBMONUSWJPUEJS-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccnc1 ZINC000088094456 351597713 /nfs/dbraw/zinc/59/77/13/351597713.db2.gz BBMONUSWJPUEJS-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1Cc1[nH+]ccn1C ZINC000088094589 351598238 /nfs/dbraw/zinc/59/82/38/351598238.db2.gz ZHIDDIYARAJRTJ-NXEZZACHSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1Cc1[nH+]ccn1C ZINC000088094590 351598365 /nfs/dbraw/zinc/59/83/65/351598365.db2.gz ZHIDDIYARAJRTJ-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO c1nn[nH]c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577658511 366033613 /nfs/dbraw/zinc/03/36/13/366033613.db2.gz NGVPNKGRISUEQP-LLVKDONJSA-N 1 2 221.308 0.475 20 0 BCADLO C[C@H](CC(=O)N(C)CCCO)n1cc[nH+]c1 ZINC000577737449 366048099 /nfs/dbraw/zinc/04/80/99/366048099.db2.gz SHBGDBDGLHYKQB-SNVBAGLBSA-N 1 2 225.292 0.675 20 0 BCADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCNC(=O)C1 ZINC000637847830 351703881 /nfs/dbraw/zinc/70/38/81/351703881.db2.gz KVNKKCDYPPVCAB-LLVKDONJSA-N 1 2 234.303 0.303 20 0 BCADLO CC[C@@](C)(CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577767178 366056729 /nfs/dbraw/zinc/05/67/29/366056729.db2.gz UXAFOGOHTIOTHQ-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@](C)(CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577767178 366056734 /nfs/dbraw/zinc/05/67/34/366056734.db2.gz UXAFOGOHTIOTHQ-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH2+]CC1=O ZINC000637869054 351729281 /nfs/dbraw/zinc/72/92/81/351729281.db2.gz LOJDZFMRMNIZLE-JTQLQIEISA-N 1 2 247.298 0.445 20 0 BCADLO CCCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868307 351732439 /nfs/dbraw/zinc/73/24/39/351732439.db2.gz AUUXBQHEHVCSQL-SNVBAGLBSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@](C)(CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577767176 366054254 /nfs/dbraw/zinc/05/42/54/366054254.db2.gz UXAFOGOHTIOTHQ-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@](C)(CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577767176 366054257 /nfs/dbraw/zinc/05/42/57/366054257.db2.gz UXAFOGOHTIOTHQ-CABZTGNLSA-N 1 2 239.319 0.866 20 0 BCADLO CC[NH2+][C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000637906265 351776514 /nfs/dbraw/zinc/77/65/14/351776514.db2.gz SYUYBOSOTKWQAD-SSDOTTSWSA-N 1 2 233.275 0.894 20 0 BCADLO CCN1CC[N@H+](C[C@@H](O)c2ccccc2)CC1=O ZINC000279707254 351821832 /nfs/dbraw/zinc/82/18/32/351821832.db2.gz KLWJBWAQMPZKTH-CYBMUJFWSA-N 1 2 248.326 0.884 20 0 BCADLO CCN1CC[N@@H+](C[C@@H](O)c2ccccc2)CC1=O ZINC000279707254 351821837 /nfs/dbraw/zinc/82/18/37/351821837.db2.gz KLWJBWAQMPZKTH-CYBMUJFWSA-N 1 2 248.326 0.884 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637937607 351815333 /nfs/dbraw/zinc/81/53/33/351815333.db2.gz VVHVXZWWUJIPSR-UWVGGRQHSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2ncncc12 ZINC000637989330 351864584 /nfs/dbraw/zinc/86/45/84/351864584.db2.gz JSVJYBDPLFNBJX-QMMMGPOBSA-N 1 2 245.286 0.230 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2ncncc12 ZINC000637989330 351864589 /nfs/dbraw/zinc/86/45/89/351864589.db2.gz JSVJYBDPLFNBJX-QMMMGPOBSA-N 1 2 245.286 0.230 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3ccns3)CCN12 ZINC000637989393 351864649 /nfs/dbraw/zinc/86/46/49/351864649.db2.gz XFXDHWGGWKAERV-SECBINFHSA-N 1 2 237.328 0.950 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccns3)CCN12 ZINC000637989393 351864651 /nfs/dbraw/zinc/86/46/51/351864651.db2.gz XFXDHWGGWKAERV-SECBINFHSA-N 1 2 237.328 0.950 20 0 BCADLO CC[N@H+](Cc1ccno1)[C@@H]1CCNC1=O ZINC000282048734 351921781 /nfs/dbraw/zinc/92/17/81/351921781.db2.gz AYIBWBVVRLQKIQ-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CC[N@@H+](Cc1ccno1)[C@@H]1CCNC1=O ZINC000282048734 351921785 /nfs/dbraw/zinc/92/17/85/351921785.db2.gz AYIBWBVVRLQKIQ-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CC[N@H+](Cc1cccc(OC)n1)[C@H]1CCNC1=O ZINC000282508206 351934299 /nfs/dbraw/zinc/93/42/99/351934299.db2.gz XFEUQLKOPABTPV-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CC[N@@H+](Cc1cccc(OC)n1)[C@H]1CCNC1=O ZINC000282508206 351934301 /nfs/dbraw/zinc/93/43/01/351934301.db2.gz XFEUQLKOPABTPV-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO Cc1c(C(=O)NCCn2cc[nH+]c2)cnn1C ZINC000041979710 351908027 /nfs/dbraw/zinc/90/80/27/351908027.db2.gz XUYFQLWKEPVBME-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO CO[C@@]1(C[N@H+](C)Cc2nnc[nH]2)CCOC1 ZINC000638096534 351976971 /nfs/dbraw/zinc/97/69/71/351976971.db2.gz JAEDNVCXSBEINC-SNVBAGLBSA-N 1 2 226.280 0.042 20 0 BCADLO CO[C@@]1(C[N@@H+](C)Cc2nnc[nH]2)CCOC1 ZINC000638096534 351976973 /nfs/dbraw/zinc/97/69/73/351976973.db2.gz JAEDNVCXSBEINC-SNVBAGLBSA-N 1 2 226.280 0.042 20 0 BCADLO C[N@H+](CCC[C@H]1CCO1)Cc1nnc[nH]1 ZINC000638096601 351977137 /nfs/dbraw/zinc/97/71/37/351977137.db2.gz KGDVJFPICSTOKT-VIFPVBQESA-N 1 2 210.281 0.806 20 0 BCADLO C[N@@H+](CCC[C@H]1CCO1)Cc1nnc[nH]1 ZINC000638096601 351977140 /nfs/dbraw/zinc/97/71/40/351977140.db2.gz KGDVJFPICSTOKT-VIFPVBQESA-N 1 2 210.281 0.806 20 0 BCADLO CCc1nc(N(C)CC(N)=O)cc(C)[nH+]1 ZINC000283667930 351980614 /nfs/dbraw/zinc/98/06/14/351980614.db2.gz WMYXBVCFXZFAPX-UHFFFAOYSA-N 1 2 208.265 0.269 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccns2)C1=O ZINC000638103426 351982274 /nfs/dbraw/zinc/98/22/74/351982274.db2.gz NOMNLEZQAGMFOL-VIFPVBQESA-N 1 2 225.317 0.806 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000638103426 351982276 /nfs/dbraw/zinc/98/22/76/351982276.db2.gz NOMNLEZQAGMFOL-VIFPVBQESA-N 1 2 225.317 0.806 20 0 BCADLO C[N@H+](Cc1ccns1)[C@H]1CCNC1=O ZINC000638180374 352044056 /nfs/dbraw/zinc/04/40/56/352044056.db2.gz CIOJFCFYQRGYEZ-QMMMGPOBSA-N 1 2 211.290 0.463 20 0 BCADLO C[N@@H+](Cc1ccns1)[C@H]1CCNC1=O ZINC000638180374 352044059 /nfs/dbraw/zinc/04/40/59/352044059.db2.gz CIOJFCFYQRGYEZ-QMMMGPOBSA-N 1 2 211.290 0.463 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)sn1 ZINC000638184316 352051973 /nfs/dbraw/zinc/05/19/73/352051973.db2.gz SLDBHZYTHYESTF-VIFPVBQESA-N 1 2 225.317 0.772 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)sn1 ZINC000638184316 352051977 /nfs/dbraw/zinc/05/19/77/352051977.db2.gz SLDBHZYTHYESTF-VIFPVBQESA-N 1 2 225.317 0.772 20 0 BCADLO CC[C@H]([NH3+])CNC(=O)Cc1[nH]c[nH+]c1C ZINC000638260254 352104534 /nfs/dbraw/zinc/10/45/34/352104534.db2.gz XKELTUVPUYPVRX-QMMMGPOBSA-N 1 2 210.281 0.114 20 0 BCADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288606528 352157843 /nfs/dbraw/zinc/15/78/43/352157843.db2.gz QOXDHUPDXNUGDK-DTWKUNHWSA-N 1 2 237.303 0.618 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000271207640 180695239 /nfs/dbraw/zinc/69/52/39/180695239.db2.gz SKATWQNIYUZDRY-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000271207640 180695241 /nfs/dbraw/zinc/69/52/41/180695241.db2.gz SKATWQNIYUZDRY-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO CC[NH+]1CCN([C@H](C)c2n[nH]c(C)n2)CC1 ZINC000411148971 191164515 /nfs/dbraw/zinc/16/45/15/191164515.db2.gz OPAZAPFGUOEMRI-SECBINFHSA-N 1 2 223.324 0.812 20 0 BCADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1cnc(N)s1 ZINC000219784917 363142051 /nfs/dbraw/zinc/14/20/51/363142051.db2.gz QMRFLMGZYRLNRL-MRVPVSSYSA-N 1 2 226.349 0.861 20 0 BCADLO C[C@@H]1CN(C)CC[N@H+]1Cc1cnc(N)s1 ZINC000219784917 363142055 /nfs/dbraw/zinc/14/20/55/363142055.db2.gz QMRFLMGZYRLNRL-MRVPVSSYSA-N 1 2 226.349 0.861 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccoc1 ZINC000336004915 538102389 /nfs/dbraw/zinc/10/23/89/538102389.db2.gz GNJVMRMHALIOCA-UHFFFAOYSA-N 1 2 241.272 0.492 20 0 BCADLO CCc1nc(C)c(C(=O)N2CC[NH+](C)CC2)o1 ZINC000292265162 352310762 /nfs/dbraw/zinc/31/07/62/352310762.db2.gz GIGWYUKBEYUDGQ-UHFFFAOYSA-N 1 2 237.303 0.933 20 0 BCADLO CC[C@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411437174 191185553 /nfs/dbraw/zinc/18/55/53/191185553.db2.gz HCMHYGDZTVGPAS-WPRPVWTQSA-N 1 2 203.282 0.689 20 0 BCADLO C[C@]1(F)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000434480051 191190385 /nfs/dbraw/zinc/19/03/85/191190385.db2.gz LXPXZVJOEGBXKE-ZJUUUORDSA-N 1 2 235.324 0.855 20 0 BCADLO C[C@]1(F)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000434480051 191190388 /nfs/dbraw/zinc/19/03/88/191190388.db2.gz LXPXZVJOEGBXKE-ZJUUUORDSA-N 1 2 235.324 0.855 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246381381 180741021 /nfs/dbraw/zinc/74/10/21/180741021.db2.gz ACRPCQWYWPAOAS-WDEREUQCSA-N 1 2 248.330 0.663 20 0 BCADLO CCN1CCC[N@H+](Cc2cccnc2N)CC1=O ZINC000296151834 352437051 /nfs/dbraw/zinc/43/70/51/352437051.db2.gz YABSVNMPANVJRR-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO CCN1CCC[N@@H+](Cc2cccnc2N)CC1=O ZINC000296151834 352437055 /nfs/dbraw/zinc/43/70/55/352437055.db2.gz YABSVNMPANVJRR-UHFFFAOYSA-N 1 2 248.330 0.718 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000372058342 180744721 /nfs/dbraw/zinc/74/47/21/180744721.db2.gz PTHDBNXOYHPRHI-BXKDBHETSA-N 1 2 235.287 0.463 20 0 BCADLO COC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411961461 191234392 /nfs/dbraw/zinc/23/43/92/191234392.db2.gz ZWJFLOJUQVYTGY-NEPJUHHUSA-N 1 2 235.283 0.967 20 0 BCADLO COC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411961461 191234394 /nfs/dbraw/zinc/23/43/94/191234394.db2.gz ZWJFLOJUQVYTGY-NEPJUHHUSA-N 1 2 235.283 0.967 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000638761382 352696509 /nfs/dbraw/zinc/69/65/09/352696509.db2.gz ZWKOQFYXCFQFKI-YPMHNXCESA-N 1 2 244.298 0.563 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000638761380 352696766 /nfs/dbraw/zinc/69/67/66/352696766.db2.gz ZWKOQFYXCFQFKI-AAEUAGOBSA-N 1 2 244.298 0.563 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)c1cnns1)C2 ZINC000370755524 180775987 /nfs/dbraw/zinc/77/59/87/180775987.db2.gz KNYYBDQMMUHFIY-UHFFFAOYSA-N 1 2 249.299 0.470 20 0 BCADLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccn1 ZINC000342858560 352877398 /nfs/dbraw/zinc/87/73/98/352877398.db2.gz AUBOJAVPVYUBPI-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ccn1 ZINC000342858560 352877401 /nfs/dbraw/zinc/87/74/01/352877401.db2.gz AUBOJAVPVYUBPI-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000334256143 352866091 /nfs/dbraw/zinc/86/60/91/352866091.db2.gz OSGITKXMCKSIML-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000334256143 352866095 /nfs/dbraw/zinc/86/60/95/352866095.db2.gz OSGITKXMCKSIML-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000334256138 352866606 /nfs/dbraw/zinc/86/66/06/352866606.db2.gz OSGITKXMCKSIML-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000334256138 352866608 /nfs/dbraw/zinc/86/66/08/352866608.db2.gz OSGITKXMCKSIML-NXEZZACHSA-N 1 2 214.309 0.574 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC000334257335 352867789 /nfs/dbraw/zinc/86/77/89/352867789.db2.gz QEWZEYALBBFDJL-VIFPVBQESA-N 1 2 225.292 0.608 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC000334257335 352867792 /nfs/dbraw/zinc/86/77/92/352867792.db2.gz QEWZEYALBBFDJL-VIFPVBQESA-N 1 2 225.292 0.608 20 0 BCADLO Cc1c[nH+]c(CN(CCO)CC(F)F)n1C ZINC000342849654 352874367 /nfs/dbraw/zinc/87/43/67/352874367.db2.gz HKYJEJVIDIBUKJ-UHFFFAOYSA-N 1 2 233.262 0.788 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCC(F)(F)C1 ZINC000334299213 352919646 /nfs/dbraw/zinc/91/96/46/352919646.db2.gz QCIXKRUTTHXWRE-UHFFFAOYSA-N 1 2 244.245 0.934 20 0 BCADLO CC(C)CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000334282763 352923390 /nfs/dbraw/zinc/92/33/90/352923390.db2.gz IIVHSVUULADSGV-NSHDSACASA-N 1 2 248.392 0.998 20 0 BCADLO CC(C)CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000334282763 352923393 /nfs/dbraw/zinc/92/33/93/352923393.db2.gz IIVHSVUULADSGV-NSHDSACASA-N 1 2 248.392 0.998 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)nc1 ZINC000412097179 191259850 /nfs/dbraw/zinc/25/98/50/191259850.db2.gz SXCMRFJCVPEHQK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)nc1 ZINC000412097179 191259852 /nfs/dbraw/zinc/25/98/52/191259852.db2.gz SXCMRFJCVPEHQK-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)NC)CC1 ZINC000334311831 352943601 /nfs/dbraw/zinc/94/36/01/352943601.db2.gz SCUBMKZXOJUENG-MRVPVSSYSA-N 1 2 228.296 0.257 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)NC)CC1 ZINC000334311832 352943726 /nfs/dbraw/zinc/94/37/26/352943726.db2.gz SCUBMKZXOJUENG-QMMMGPOBSA-N 1 2 228.296 0.257 20 0 BCADLO Cn1ncc2c1nc(NCC(C)(C)O)[nH+]c2N ZINC000275954798 180821815 /nfs/dbraw/zinc/82/18/15/180821815.db2.gz CRPRYOKXDVQKHD-UHFFFAOYSA-N 1 2 236.279 0.128 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412102962 191262272 /nfs/dbraw/zinc/26/22/72/191262272.db2.gz YJSRKZKTXKDAPV-CMPLNLGQSA-N 1 2 229.320 0.827 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412102962 191262274 /nfs/dbraw/zinc/26/22/74/191262274.db2.gz YJSRKZKTXKDAPV-CMPLNLGQSA-N 1 2 229.320 0.827 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOCC12CC2 ZINC000334361776 353011918 /nfs/dbraw/zinc/01/19/18/353011918.db2.gz JLTQTAIECBUJNM-UHFFFAOYSA-N 1 2 221.260 0.275 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000638897709 353060603 /nfs/dbraw/zinc/06/06/03/353060603.db2.gz JZYXRPQGLNPAHW-VIFPVBQESA-N 1 2 249.318 0.151 20 0 BCADLO CC1(C)C[N@H+](CCNC(=O)N2CCC2)CCO1 ZINC000334396205 353069383 /nfs/dbraw/zinc/06/93/83/353069383.db2.gz KISSHTCMDNNEQW-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO CC1(C)C[N@@H+](CCNC(=O)N2CCC2)CCO1 ZINC000334396205 353069384 /nfs/dbraw/zinc/06/93/84/353069384.db2.gz KISSHTCMDNNEQW-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO CC(=O)NC1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302735848 188059628 /nfs/dbraw/zinc/05/96/28/188059628.db2.gz ZIYSTVDIDSKAJE-UHFFFAOYSA-N 1 2 234.303 0.925 20 0 BCADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000360496464 188068832 /nfs/dbraw/zinc/06/88/32/188068832.db2.gz SYEXPDQHNGHOKN-QMMMGPOBSA-N 1 2 228.296 0.349 20 0 BCADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000360496464 188068834 /nfs/dbraw/zinc/06/88/34/188068834.db2.gz SYEXPDQHNGHOKN-QMMMGPOBSA-N 1 2 228.296 0.349 20 0 BCADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CF ZINC000360592982 188069321 /nfs/dbraw/zinc/06/93/21/188069321.db2.gz DQMBIXAVJRJJNZ-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CF ZINC000360592982 188069323 /nfs/dbraw/zinc/06/93/23/188069323.db2.gz DQMBIXAVJRJJNZ-QWRGUYRKSA-N 1 2 246.326 0.962 20 0 BCADLO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361628347 188071153 /nfs/dbraw/zinc/07/11/53/188071153.db2.gz HZOYLFVNOGPJEV-WDEREUQCSA-N 1 2 247.335 0.657 20 0 BCADLO CCCCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361628347 188071155 /nfs/dbraw/zinc/07/11/55/188071155.db2.gz HZOYLFVNOGPJEV-WDEREUQCSA-N 1 2 247.335 0.657 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2nnnn2C)CCS1 ZINC000362384447 188071416 /nfs/dbraw/zinc/07/14/16/188071416.db2.gz FSDDKJZSBQPXRX-VIFPVBQESA-N 1 2 241.364 0.784 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2nnnn2C)CCS1 ZINC000362384447 188071418 /nfs/dbraw/zinc/07/14/18/188071418.db2.gz FSDDKJZSBQPXRX-VIFPVBQESA-N 1 2 241.364 0.784 20 0 BCADLO CC(=O)CC[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000369267387 188073490 /nfs/dbraw/zinc/07/34/90/188073490.db2.gz CWDPLIZVIYIRIH-UHFFFAOYSA-N 1 2 248.330 0.880 20 0 BCADLO CC(=O)CC[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000369267387 188073492 /nfs/dbraw/zinc/07/34/92/188073492.db2.gz CWDPLIZVIYIRIH-UHFFFAOYSA-N 1 2 248.330 0.880 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000305913981 188079114 /nfs/dbraw/zinc/07/91/14/188079114.db2.gz ANMXPRBRQYSXHQ-NEPJUHHUSA-N 1 2 248.330 0.961 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cncc(O)c2)C1 ZINC000341344425 188084114 /nfs/dbraw/zinc/08/41/14/188084114.db2.gz NLYFYPQSGVKGMF-UHFFFAOYSA-N 1 2 235.287 0.610 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000352770728 188085040 /nfs/dbraw/zinc/08/50/40/188085040.db2.gz UAAVJKFEUBRLEN-GHMZBOCLSA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000352770728 188085042 /nfs/dbraw/zinc/08/50/42/188085042.db2.gz UAAVJKFEUBRLEN-GHMZBOCLSA-N 1 2 238.335 0.747 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567867 353175072 /nfs/dbraw/zinc/17/50/72/353175072.db2.gz MTFNVWFZMCVXNY-UWVGGRQHSA-N 1 2 232.299 0.163 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567867 353175073 /nfs/dbraw/zinc/17/50/73/353175073.db2.gz MTFNVWFZMCVXNY-UWVGGRQHSA-N 1 2 232.299 0.163 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C1CC1 ZINC000329799380 538109548 /nfs/dbraw/zinc/10/95/48/538109548.db2.gz XUOGXHYGNCYIPU-AOOOYVTPSA-N 1 2 247.302 0.704 20 0 BCADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C1CC1 ZINC000329799380 538109549 /nfs/dbraw/zinc/10/95/49/538109549.db2.gz XUOGXHYGNCYIPU-AOOOYVTPSA-N 1 2 247.302 0.704 20 0 BCADLO O=C1CCCN1CCC[NH+]1CCS(=O)CC1 ZINC000609539570 353167329 /nfs/dbraw/zinc/16/73/29/353167329.db2.gz BYYLDZLLNMVWKW-UHFFFAOYSA-N 1 2 244.360 0.063 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000048659181 188124377 /nfs/dbraw/zinc/12/43/77/188124377.db2.gz ISAYETKTEDJEIN-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000048659181 188124378 /nfs/dbraw/zinc/12/43/78/188124378.db2.gz ISAYETKTEDJEIN-UHFFFAOYSA-N 1 2 210.281 0.116 20 0 BCADLO Cc1nc(N2CC[C@H](NC(N)=O)C2)cc[nH+]1 ZINC000677810565 538110824 /nfs/dbraw/zinc/11/08/24/538110824.db2.gz VOSOOCYNQQQSEM-QMMMGPOBSA-N 1 2 221.264 0.032 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000336736573 188167945 /nfs/dbraw/zinc/16/79/45/188167945.db2.gz PHZZNYGATCEPOL-OAHLLOKOSA-N 1 2 227.333 0.719 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000267939395 188196550 /nfs/dbraw/zinc/19/65/50/188196550.db2.gz NPEDYYXFVWDMGS-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000267939395 188196551 /nfs/dbraw/zinc/19/65/51/188196551.db2.gz NPEDYYXFVWDMGS-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000194710481 188175200 /nfs/dbraw/zinc/17/52/00/188175200.db2.gz HZZVHAVADFGCFC-ZDUSSCGKSA-N 1 2 249.314 0.975 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000194710481 188175201 /nfs/dbraw/zinc/17/52/01/188175201.db2.gz HZZVHAVADFGCFC-ZDUSSCGKSA-N 1 2 249.314 0.975 20 0 BCADLO CC1(C)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000299085669 188215232 /nfs/dbraw/zinc/21/52/32/188215232.db2.gz RVOYVCUATXIFPJ-SECBINFHSA-N 1 2 222.292 0.981 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340658879 188215902 /nfs/dbraw/zinc/21/59/02/188215902.db2.gz DFBVOGBAKSTNQU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340658879 188215903 /nfs/dbraw/zinc/21/59/03/188215903.db2.gz DFBVOGBAKSTNQU-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO O=C(NCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC000366725874 188217943 /nfs/dbraw/zinc/21/79/43/188217943.db2.gz IIKWVEAFIVIDJD-MRVPVSSYSA-N 1 2 211.240 0.531 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000331020158 188220620 /nfs/dbraw/zinc/22/06/20/188220620.db2.gz OLTRKJKWMKXENA-LLVKDONJSA-N 1 2 225.292 0.406 20 0 BCADLO CC1(C)OCC(CO)([NH2+]Cc2ccon2)CO1 ZINC000279258639 188204864 /nfs/dbraw/zinc/20/48/64/188204864.db2.gz LXZDMXIQEVWICH-UHFFFAOYSA-N 1 2 242.275 0.278 20 0 BCADLO CC(C)(C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284442003 188207203 /nfs/dbraw/zinc/20/72/03/188207203.db2.gz QDSFETWCVDUVKA-YEZKRMTDSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)(C)[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282700495 188207314 /nfs/dbraw/zinc/20/73/14/188207314.db2.gz FVQCFAYKZBDCAX-YEZKRMTDSA-N 1 2 237.303 0.946 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)NC(CO)CO ZINC000287381350 188209061 /nfs/dbraw/zinc/20/90/61/188209061.db2.gz CDISMBOLRXUPFV-UHFFFAOYSA-N 1 2 239.275 0.173 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)CN(C2CC2)C1=O ZINC000328613825 188225264 /nfs/dbraw/zinc/22/52/64/188225264.db2.gz QQVWHNXJYGFXSH-UHFFFAOYSA-N 1 2 234.259 0.347 20 0 BCADLO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000333065198 188227058 /nfs/dbraw/zinc/22/70/58/188227058.db2.gz JBDAGIMFTRDJGT-SECBINFHSA-N 1 2 239.323 0.425 20 0 BCADLO CC(C)[N@H+]1CC[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000333065198 188227059 /nfs/dbraw/zinc/22/70/59/188227059.db2.gz JBDAGIMFTRDJGT-SECBINFHSA-N 1 2 239.323 0.425 20 0 BCADLO Cc1oncc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000334501117 353330827 /nfs/dbraw/zinc/33/08/27/353330827.db2.gz GQPZKHFCIFBLGQ-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO Cc1oncc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000334501117 353330829 /nfs/dbraw/zinc/33/08/29/353330829.db2.gz GQPZKHFCIFBLGQ-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO Cn1ccnc1[C@@H]([NH2+]C1(C(N)=O)CC1)C1CC1 ZINC000639042722 353325948 /nfs/dbraw/zinc/32/59/48/353325948.db2.gz IZUHWAMVUZJCID-VIFPVBQESA-N 1 2 234.303 0.479 20 0 BCADLO CO[C@@H](C[NH2+]CC(F)(F)CO)[C@H]1CCOC1 ZINC000639055607 353358645 /nfs/dbraw/zinc/35/86/45/353358645.db2.gz VCIAILQMWVUIMK-IUCAKERBSA-N 1 2 239.262 0.255 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)nn1 ZINC000135626061 538115936 /nfs/dbraw/zinc/11/59/36/538115936.db2.gz XEHDWCMRSFAECZ-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)nn1 ZINC000135626061 538115937 /nfs/dbraw/zinc/11/59/37/538115937.db2.gz XEHDWCMRSFAECZ-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO CN(CC1(CO)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000330097853 538116826 /nfs/dbraw/zinc/11/68/26/538116826.db2.gz YQNHRWDFSIGBPY-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO CN(CC1(CO)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000330097853 538116827 /nfs/dbraw/zinc/11/68/27/538116827.db2.gz YQNHRWDFSIGBPY-UHFFFAOYSA-N 1 2 237.303 0.573 20 0 BCADLO CC(=O)N1CC(Nc2nc(C)[nH+]cc2C)C1 ZINC000563728098 353421889 /nfs/dbraw/zinc/42/18/89/353421889.db2.gz BLHCDQIRYPGYSZ-UHFFFAOYSA-N 1 2 220.276 0.736 20 0 BCADLO CCC(=O)N1CC[N@H+](CCSC)C1 ZINC000425505213 353402077 /nfs/dbraw/zinc/40/20/77/353402077.db2.gz AWXIMBYAKGDUFA-UHFFFAOYSA-N 1 2 202.323 0.861 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCSC)C1 ZINC000425505213 353402080 /nfs/dbraw/zinc/40/20/80/353402080.db2.gz AWXIMBYAKGDUFA-UHFFFAOYSA-N 1 2 202.323 0.861 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC000091589821 353410389 /nfs/dbraw/zinc/41/03/89/353410389.db2.gz JDVUCBFDUJHFKZ-DTORHVGOSA-N 1 2 222.292 0.720 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC000091589821 353410390 /nfs/dbraw/zinc/41/03/90/353410390.db2.gz JDVUCBFDUJHFKZ-DTORHVGOSA-N 1 2 222.292 0.720 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1csnn1 ZINC000398323548 363221050 /nfs/dbraw/zinc/22/10/50/363221050.db2.gz JUDXBTNCPXHSHV-ZCFIWIBFSA-N 1 2 214.294 0.277 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000085511604 538117069 /nfs/dbraw/zinc/11/70/69/538117069.db2.gz BYDUAYQTAOJIBL-VIFPVBQESA-N 1 2 238.291 0.241 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)C(=O)N1 ZINC000577861607 366088439 /nfs/dbraw/zinc/08/84/39/366088439.db2.gz GMRCTRSNSVQBLQ-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)C(=O)N1 ZINC000577861607 366088444 /nfs/dbraw/zinc/08/84/44/366088444.db2.gz GMRCTRSNSVQBLQ-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)CCOCCO ZINC000516663711 538117476 /nfs/dbraw/zinc/11/74/76/538117476.db2.gz YOBKSXMPQABXGR-UHFFFAOYSA-N 1 2 225.292 0.539 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000085511604 538117070 /nfs/dbraw/zinc/11/70/70/538117070.db2.gz BYDUAYQTAOJIBL-VIFPVBQESA-N 1 2 238.291 0.241 20 0 BCADLO COC[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000309080438 491052235 /nfs/dbraw/zinc/05/22/35/491052235.db2.gz OWAUOQVBVYPYGQ-APPZFPTMSA-N 1 2 213.281 0.376 20 0 BCADLO C[C@@H](CO)CCCNC(=O)CCn1cc[nH+]c1 ZINC000230271786 353483279 /nfs/dbraw/zinc/48/32/79/353483279.db2.gz SLGKGKALEQNALG-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511798 353520096 /nfs/dbraw/zinc/52/00/96/353520096.db2.gz ZWMTZRYARKZOAZ-UWVGGRQHSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000334511798 353520100 /nfs/dbraw/zinc/52/01/00/353520100.db2.gz ZWMTZRYARKZOAZ-UWVGGRQHSA-N 1 2 249.314 0.748 20 0 BCADLO CCN1CN([C@H](c2[nH+]ccn2C)C2CC2)CC1=O ZINC000639103581 353581802 /nfs/dbraw/zinc/58/18/02/353581802.db2.gz PTLXKEPQRMDWLO-LBPRGKRZSA-N 1 2 248.330 0.993 20 0 BCADLO COC(C)(C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000230942532 353555148 /nfs/dbraw/zinc/55/51/48/353555148.db2.gz OVBHOFGTSUUYEZ-UHFFFAOYSA-N 1 2 225.292 0.884 20 0 BCADLO COC[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194436680 353660604 /nfs/dbraw/zinc/66/06/04/353660604.db2.gz XUKDLFLHZBEHSP-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194436680 353660605 /nfs/dbraw/zinc/66/06/05/353660605.db2.gz XUKDLFLHZBEHSP-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1CCCC1(C)C ZINC000334519831 353675838 /nfs/dbraw/zinc/67/58/38/353675838.db2.gz QVRGZAHSVXNZGP-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1CCCC1(C)C ZINC000334519831 353675841 /nfs/dbraw/zinc/67/58/41/353675841.db2.gz QVRGZAHSVXNZGP-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC000194611697 353677760 /nfs/dbraw/zinc/67/77/60/353677760.db2.gz BLFTXLAKAVAZGT-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC000194611697 353677762 /nfs/dbraw/zinc/67/77/62/353677762.db2.gz BLFTXLAKAVAZGT-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412427112 191285164 /nfs/dbraw/zinc/28/51/64/191285164.db2.gz LPNAZKKIDTXXAU-KXNHARMFSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412427112 191285167 /nfs/dbraw/zinc/28/51/67/191285167.db2.gz LPNAZKKIDTXXAU-KXNHARMFSA-N 1 2 238.331 0.574 20 0 BCADLO CO[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000577911716 366100936 /nfs/dbraw/zinc/10/09/36/366100936.db2.gz CHDGKVLHMRKWIA-VHSXEESVSA-N 1 2 237.303 0.813 20 0 BCADLO COc1cc[nH+]cc1NC(=O)CN1CCCC1=O ZINC000194736908 353692378 /nfs/dbraw/zinc/69/23/78/353692378.db2.gz CAJOENHBCILBRC-UHFFFAOYSA-N 1 2 249.270 0.651 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1COCCO1 ZINC000194738616 353692514 /nfs/dbraw/zinc/69/25/14/353692514.db2.gz AIDVFCCYHRXOAW-SNVBAGLBSA-N 1 2 238.243 0.444 20 0 BCADLO CCCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000097079554 353707721 /nfs/dbraw/zinc/70/77/21/353707721.db2.gz XXNGJDRYBSJCFA-UHFFFAOYSA-N 1 2 231.321 0.603 20 0 BCADLO Fc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000179075487 181018796 /nfs/dbraw/zinc/01/87/96/181018796.db2.gz WZIQGBCOHGQMOK-SNVBAGLBSA-N 1 2 237.282 0.027 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000343405584 353878400 /nfs/dbraw/zinc/87/84/00/353878400.db2.gz RLIBVFMCAOTFTF-SECBINFHSA-N 1 2 240.307 0.805 20 0 BCADLO CC[N@H+](Cc1ccns1)[C@@H]1CCNC1=O ZINC000639135905 353845790 /nfs/dbraw/zinc/84/57/90/353845790.db2.gz IMSPXIRRHGJJEI-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO CC[N@@H+](Cc1ccns1)[C@@H]1CCNC1=O ZINC000639135905 353845794 /nfs/dbraw/zinc/84/57/94/353845794.db2.gz IMSPXIRRHGJJEI-SECBINFHSA-N 1 2 225.317 0.854 20 0 BCADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000639142336 353849488 /nfs/dbraw/zinc/84/94/88/353849488.db2.gz LCWYFCYVIQTUCB-DTORHVGOSA-N 1 2 226.301 0.743 20 0 BCADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000639142336 353849489 /nfs/dbraw/zinc/84/94/89/353849489.db2.gz LCWYFCYVIQTUCB-DTORHVGOSA-N 1 2 226.301 0.743 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000334539065 353927084 /nfs/dbraw/zinc/92/70/84/353927084.db2.gz QMMCQHKNXGEOAT-SNVBAGLBSA-N 1 2 249.318 0.236 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000334539065 353927086 /nfs/dbraw/zinc/92/70/86/353927086.db2.gz QMMCQHKNXGEOAT-SNVBAGLBSA-N 1 2 249.318 0.236 20 0 BCADLO Cc1nc(N2CCC[C@H]3C(=O)NC[C@H]32)cc[nH+]1 ZINC000366835430 353936630 /nfs/dbraw/zinc/93/66/30/353936630.db2.gz OJICSTQHFFXAAI-NXEZZACHSA-N 1 2 232.287 0.500 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000343592049 353942077 /nfs/dbraw/zinc/94/20/77/353942077.db2.gz RZGMJQJDNODAPO-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000343592049 353942080 /nfs/dbraw/zinc/94/20/80/353942080.db2.gz RZGMJQJDNODAPO-NXEZZACHSA-N 1 2 243.351 0.358 20 0 BCADLO CCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000343753160 353972404 /nfs/dbraw/zinc/97/24/04/353972404.db2.gz JKJVBUVJCVWLSB-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000343753160 353972407 /nfs/dbraw/zinc/97/24/07/353972407.db2.gz JKJVBUVJCVWLSB-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2CO)cn1 ZINC000343767766 353981906 /nfs/dbraw/zinc/98/19/06/353981906.db2.gz OSCAZRLHMNMJGE-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@H]2CO)cn1 ZINC000343767766 353981909 /nfs/dbraw/zinc/98/19/09/353981909.db2.gz OSCAZRLHMNMJGE-LLVKDONJSA-N 1 2 239.344 0.695 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334551946 353992420 /nfs/dbraw/zinc/99/24/20/353992420.db2.gz CBIWMHHURMSSBB-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334551946 353992422 /nfs/dbraw/zinc/99/24/22/353992422.db2.gz CBIWMHHURMSSBB-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCSC[C@H]2CO)n1 ZINC000343727236 353960239 /nfs/dbraw/zinc/96/02/39/353960239.db2.gz ILYIBKARDDJMHA-SNVBAGLBSA-N 1 2 239.344 0.695 20 0 BCADLO Cc1ccnc(C[N@H+]2CCSC[C@H]2CO)n1 ZINC000343727236 353960240 /nfs/dbraw/zinc/96/02/40/353960240.db2.gz ILYIBKARDDJMHA-SNVBAGLBSA-N 1 2 239.344 0.695 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000343808088 354010427 /nfs/dbraw/zinc/01/04/27/354010427.db2.gz MFNILXCWQUUDLG-JTQLQIEISA-N 1 2 239.319 0.785 20 0 BCADLO CC[C@@H](CCO)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000343808088 354010429 /nfs/dbraw/zinc/01/04/29/354010429.db2.gz MFNILXCWQUUDLG-JTQLQIEISA-N 1 2 239.319 0.785 20 0 BCADLO COc1cncc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000343954351 354071808 /nfs/dbraw/zinc/07/18/08/354071808.db2.gz GWSCUAGMIOROGQ-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cncc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000343954351 354071809 /nfs/dbraw/zinc/07/18/09/354071809.db2.gz GWSCUAGMIOROGQ-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284358079 188564083 /nfs/dbraw/zinc/56/40/83/188564083.db2.gz KMLJXWMMJIYALO-RTMURIBGSA-N 1 2 221.260 0.907 20 0 BCADLO C/C=C\CS(=O)(=O)Cc1c[nH+]cn1C ZINC000344010558 354115841 /nfs/dbraw/zinc/11/58/41/354115841.db2.gz KAMQKUMYWZKSQP-ARJAWSKDSA-N 1 2 214.290 0.911 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)no1 ZINC000344174464 354172078 /nfs/dbraw/zinc/17/20/78/354172078.db2.gz QDICJULKZXOJOZ-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)no1 ZINC000344174464 354172082 /nfs/dbraw/zinc/17/20/82/354172082.db2.gz QDICJULKZXOJOZ-WPRPVWTQSA-N 1 2 225.292 0.971 20 0 BCADLO Cn1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000344152786 354156863 /nfs/dbraw/zinc/15/68/63/354156863.db2.gz DISUOHKLVPAZRU-UHFFFAOYSA-N 1 2 219.248 0.715 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)[nH]1 ZINC000344155638 354157456 /nfs/dbraw/zinc/15/74/56/354157456.db2.gz VMQXOSCTRMEKNM-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)[nH]1 ZINC000344155638 354157458 /nfs/dbraw/zinc/15/74/58/354157458.db2.gz VMQXOSCTRMEKNM-UWVGGRQHSA-N 1 2 238.335 0.960 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1ccccc1O ZINC000344196577 354181205 /nfs/dbraw/zinc/18/12/05/354181205.db2.gz KSOOXOQBGOOUBD-UHFFFAOYSA-N 1 2 247.302 0.590 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1ccccc1O ZINC000344196577 354181207 /nfs/dbraw/zinc/18/12/07/354181207.db2.gz KSOOXOQBGOOUBD-UHFFFAOYSA-N 1 2 247.302 0.590 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1O ZINC000344217899 354181260 /nfs/dbraw/zinc/18/12/60/354181260.db2.gz NPUWJSBUFOYLOR-VHSXEESVSA-N 1 2 237.303 0.762 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344248082 354190109 /nfs/dbraw/zinc/19/01/09/354190109.db2.gz QSOLHLYYYOBWOW-YUMQZZPRSA-N 1 2 223.276 0.418 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344248082 354190114 /nfs/dbraw/zinc/19/01/14/354190114.db2.gz QSOLHLYYYOBWOW-YUMQZZPRSA-N 1 2 223.276 0.418 20 0 BCADLO Cn1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000334593995 354225811 /nfs/dbraw/zinc/22/58/11/354225811.db2.gz CPBZKCLUZDLXJD-NSHDSACASA-N 1 2 244.298 0.966 20 0 BCADLO CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334612703 354296749 /nfs/dbraw/zinc/29/67/49/354296749.db2.gz GETSPMUUXGIORH-ZJUUUORDSA-N 1 2 227.308 0.121 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H](O)C1 ZINC000334613983 354298881 /nfs/dbraw/zinc/29/88/81/354298881.db2.gz SGGLRNSOJJWKRF-BDAKNGLRSA-N 1 2 223.276 0.577 20 0 BCADLO CC(=O)NC1CN([C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639181099 354275758 /nfs/dbraw/zinc/27/57/58/354275758.db2.gz RMHDYSQSOQVBFH-LBPRGKRZSA-N 1 2 248.330 0.692 20 0 BCADLO CCO[C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344769577 354358624 /nfs/dbraw/zinc/35/86/24/354358624.db2.gz DRZYIRMRRBQPCX-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000577985847 366160496 /nfs/dbraw/zinc/16/04/96/366160496.db2.gz NVLPRLKTQFSYMP-NSHDSACASA-N 1 2 249.314 0.888 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000577985847 366160497 /nfs/dbraw/zinc/16/04/97/366160497.db2.gz NVLPRLKTQFSYMP-NSHDSACASA-N 1 2 249.314 0.888 20 0 BCADLO CCN(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000344770869 354359199 /nfs/dbraw/zinc/35/91/99/354359199.db2.gz XNHLUZDGKUUHTI-NSHDSACASA-N 1 2 243.351 0.711 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000383612669 354380817 /nfs/dbraw/zinc/38/08/17/354380817.db2.gz NZJXHJSFHMDOKM-JTQLQIEISA-N 1 2 231.267 0.860 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000383612669 354380819 /nfs/dbraw/zinc/38/08/19/354380819.db2.gz NZJXHJSFHMDOKM-JTQLQIEISA-N 1 2 231.267 0.860 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)CNC1=O ZINC000349406459 366187423 /nfs/dbraw/zinc/18/74/23/366187423.db2.gz OGAAZRIQAWXCHS-UHFFFAOYSA-N 1 2 221.216 0.142 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000334663859 354464444 /nfs/dbraw/zinc/46/44/44/354464444.db2.gz RRJFOWNJTDSMAI-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000334663859 354464448 /nfs/dbraw/zinc/46/44/48/354464448.db2.gz RRJFOWNJTDSMAI-VHSXEESVSA-N 1 2 214.309 0.574 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000345033214 354440839 /nfs/dbraw/zinc/44/08/39/354440839.db2.gz FNVDPBUSWQSEFK-MRVPVSSYSA-N 1 2 223.276 0.145 20 0 BCADLO CCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000334736996 354538359 /nfs/dbraw/zinc/53/83/59/354538359.db2.gz OQPWJTSQRXJVNJ-SECBINFHSA-N 1 2 236.319 0.748 20 0 BCADLO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000334736996 354538361 /nfs/dbraw/zinc/53/83/61/354538361.db2.gz OQPWJTSQRXJVNJ-SECBINFHSA-N 1 2 236.319 0.748 20 0 BCADLO O=C(NC1CC1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334737789 354540031 /nfs/dbraw/zinc/54/00/31/354540031.db2.gz DDBRZJRONUFRIU-SECBINFHSA-N 1 2 248.286 0.352 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H](C(N)=O)C1 ZINC000334707907 354502307 /nfs/dbraw/zinc/50/23/07/354502307.db2.gz JYFZTXLKHXJTIA-NXEZZACHSA-N 1 2 239.319 0.854 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H](C(N)=O)C1 ZINC000334707907 354502308 /nfs/dbraw/zinc/50/23/08/354502308.db2.gz JYFZTXLKHXJTIA-NXEZZACHSA-N 1 2 239.319 0.854 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000334707852 354502327 /nfs/dbraw/zinc/50/23/27/354502327.db2.gz ONPLGBUPAUUYKX-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000334707852 354502330 /nfs/dbraw/zinc/50/23/30/354502330.db2.gz ONPLGBUPAUUYKX-VXGBXAGGSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334708360 354503524 /nfs/dbraw/zinc/50/35/24/354503524.db2.gz OKYMVTPBMVLHCC-LLVKDONJSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334708360 354503529 /nfs/dbraw/zinc/50/35/29/354503529.db2.gz OKYMVTPBMVLHCC-LLVKDONJSA-N 1 2 235.287 0.790 20 0 BCADLO C[C@@H](c1nncn1C)[NH+]1CCSCC1 ZINC000334814930 354572673 /nfs/dbraw/zinc/57/26/73/354572673.db2.gz AICGHMRJAUMEMQ-QMMMGPOBSA-N 1 2 212.322 0.925 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000334769514 354590995 /nfs/dbraw/zinc/59/09/95/354590995.db2.gz PEMYHKUHKXSWBY-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO Cc1occc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000334847314 354594991 /nfs/dbraw/zinc/59/49/91/354594991.db2.gz HUFQHIYRNAWWED-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1occc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000334847314 354594992 /nfs/dbraw/zinc/59/49/92/354594992.db2.gz HUFQHIYRNAWWED-QMMMGPOBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)no1 ZINC000345361282 354632156 /nfs/dbraw/zinc/63/21/56/354632156.db2.gz RJMJDPYUQGLPFE-UHFFFAOYSA-N 1 2 219.200 0.758 20 0 BCADLO Cc1cc(F)c(C[NH+]2C[C@@H](O)[C@H](O)C2)c(F)c1 ZINC000335109963 354696437 /nfs/dbraw/zinc/69/64/37/354696437.db2.gz LBMXIXLESVYEFJ-VXGBXAGGSA-N 1 2 243.253 0.811 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnn1C ZINC000345618144 354715393 /nfs/dbraw/zinc/71/53/93/354715393.db2.gz KABMZOHWPUSWLX-SECBINFHSA-N 1 2 233.275 0.435 20 0 BCADLO CC[S@@](=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000345641607 354722444 /nfs/dbraw/zinc/72/24/44/354722444.db2.gz LXAUSDRRTUAEMZ-MRXNPFEDSA-N 1 2 243.332 0.158 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCC1 ZINC000345643038 354722620 /nfs/dbraw/zinc/72/26/20/354722620.db2.gz RKINEBZGOMFGIO-UHFFFAOYSA-N 1 2 209.249 0.119 20 0 BCADLO CC[C@@H](COC)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345746069 354750406 /nfs/dbraw/zinc/75/04/06/354750406.db2.gz VEUNOOGJFCOTOJ-JGVFFNPUSA-N 1 2 236.262 0.525 20 0 BCADLO COCC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345750593 354751294 /nfs/dbraw/zinc/75/12/94/354751294.db2.gz AESPXYISWRLWLK-SFYZADRCSA-N 1 2 236.262 0.525 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000345770152 354757321 /nfs/dbraw/zinc/75/73/21/354757321.db2.gz WCFZAHLTIMCOBM-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000345770152 354757324 /nfs/dbraw/zinc/75/73/24/354757324.db2.gz WCFZAHLTIMCOBM-OUAUKWLOSA-N 1 2 226.320 0.716 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000345772651 354758259 /nfs/dbraw/zinc/75/82/59/354758259.db2.gz AKNGKEHGFXLUAG-XHNCKOQMSA-N 1 2 248.273 0.477 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000345772651 354758260 /nfs/dbraw/zinc/75/82/60/354758260.db2.gz AKNGKEHGFXLUAG-XHNCKOQMSA-N 1 2 248.273 0.477 20 0 BCADLO O=C(NCc1ccc[nH]1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000366924850 354834704 /nfs/dbraw/zinc/83/47/04/354834704.db2.gz JOYCWAJQXNUGRB-MRVPVSSYSA-N 1 2 229.230 0.628 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ncnn2CCF)CC12CC2 ZINC000366924970 354835530 /nfs/dbraw/zinc/83/55/30/354835530.db2.gz ZILMBRMYJLNLJD-SECBINFHSA-N 1 2 240.282 0.204 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ncnn2CCF)CC12CC2 ZINC000366924970 354835533 /nfs/dbraw/zinc/83/55/33/354835533.db2.gz ZILMBRMYJLNLJD-SECBINFHSA-N 1 2 240.282 0.204 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)C)C1CC1 ZINC000234545966 363424088 /nfs/dbraw/zinc/42/40/88/363424088.db2.gz ZSMUCCOYCAJDFZ-JTQLQIEISA-N 1 2 228.292 0.006 20 0 BCADLO CC(C)n1cncc1C[N@@H+]1CCNC(=O)CC1 ZINC000335146527 354857098 /nfs/dbraw/zinc/85/70/98/354857098.db2.gz KFIRXSVPTFJPQT-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(C)n1cncc1C[N@H+]1CCNC(=O)CC1 ZINC000335146527 354857100 /nfs/dbraw/zinc/85/71/00/354857100.db2.gz KFIRXSVPTFJPQT-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CCNC(=O)CC1 ZINC000335146527 354857102 /nfs/dbraw/zinc/85/71/02/354857102.db2.gz KFIRXSVPTFJPQT-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccns2)C1 ZINC000639221550 354891832 /nfs/dbraw/zinc/89/18/32/354891832.db2.gz FNWLEYIXXGLNAW-MRVPVSSYSA-N 1 2 214.290 0.336 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccns2)C1 ZINC000639221550 354891834 /nfs/dbraw/zinc/89/18/34/354891834.db2.gz FNWLEYIXXGLNAW-MRVPVSSYSA-N 1 2 214.290 0.336 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[C@H](C)O ZINC000346382352 354906196 /nfs/dbraw/zinc/90/61/96/354906196.db2.gz USSSVXMGLLNCEE-BDAKNGLRSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)C[C@H](C)O ZINC000346382352 354906202 /nfs/dbraw/zinc/90/62/02/354906202.db2.gz USSSVXMGLLNCEE-BDAKNGLRSA-N 1 2 239.319 0.784 20 0 BCADLO CCC[C@](C)([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000346387724 354906839 /nfs/dbraw/zinc/90/68/39/354906839.db2.gz SDALCFMEBLADQE-LBPRGKRZSA-N 1 2 244.335 0.786 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H](C)O ZINC000346398432 354909759 /nfs/dbraw/zinc/90/97/59/354909759.db2.gz YNZCDMKPLOBCMT-MRVPVSSYSA-N 1 2 225.292 0.490 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000346367660 354919707 /nfs/dbraw/zinc/91/97/07/354919707.db2.gz OSPQUTKOSGFQJU-ONGXEEELSA-N 1 2 225.267 0.690 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000346367660 354919710 /nfs/dbraw/zinc/91/97/10/354919710.db2.gz OSPQUTKOSGFQJU-ONGXEEELSA-N 1 2 225.267 0.690 20 0 BCADLO O=C(NCC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335163452 354949579 /nfs/dbraw/zinc/94/95/79/354949579.db2.gz WFFUEYPCJNLFPB-VIFPVBQESA-N 1 2 234.303 0.976 20 0 BCADLO O=C(NCC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335163452 354949582 /nfs/dbraw/zinc/94/95/82/354949582.db2.gz WFFUEYPCJNLFPB-VIFPVBQESA-N 1 2 234.303 0.976 20 0 BCADLO CC[N@H+](CCOCC(F)F)Cc1cn(C)nn1 ZINC000346510662 354962866 /nfs/dbraw/zinc/96/28/66/354962866.db2.gz XKLGEUBMDQIONW-UHFFFAOYSA-N 1 2 248.277 0.919 20 0 BCADLO CC[N@@H+](CCOCC(F)F)Cc1cn(C)nn1 ZINC000346510662 354962869 /nfs/dbraw/zinc/96/28/69/354962869.db2.gz XKLGEUBMDQIONW-UHFFFAOYSA-N 1 2 248.277 0.919 20 0 BCADLO CC(C)CCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000346459664 354964675 /nfs/dbraw/zinc/96/46/75/354964675.db2.gz JGNKFRYMZBQNGC-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO CC(C)CCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000346459664 354964678 /nfs/dbraw/zinc/96/46/78/354964678.db2.gz JGNKFRYMZBQNGC-GFCCVEGCSA-N 1 2 241.379 0.785 20 0 BCADLO CN(C)c1ccc(CNC(=O)c2cnc[nH]2)c[nH+]1 ZINC000346555796 354966776 /nfs/dbraw/zinc/96/67/76/354966776.db2.gz WKHGXKUIKDQWFW-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO COC(=O)[C@]1([NH2+]CC[C@@H]2CCCO2)CCOC1 ZINC000346576619 354998983 /nfs/dbraw/zinc/99/89/83/354998983.db2.gz SNSZTSNGJGWLQP-JQWIXIFHSA-N 1 2 243.303 0.477 20 0 BCADLO O=C(C[NH2+]Cc1ccn(C(F)F)n1)NC1CC1 ZINC000346648905 355018206 /nfs/dbraw/zinc/01/82/06/355018206.db2.gz HKAGPKLBLAHRCD-UHFFFAOYSA-N 1 2 244.245 0.646 20 0 BCADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000335222017 355062655 /nfs/dbraw/zinc/06/26/55/355062655.db2.gz GUGIWKNUVBVUJC-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000335222017 355062656 /nfs/dbraw/zinc/06/26/56/355062656.db2.gz GUGIWKNUVBVUJC-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000335222021 355062708 /nfs/dbraw/zinc/06/27/08/355062708.db2.gz GUGIWKNUVBVUJC-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000335222021 355062709 /nfs/dbraw/zinc/06/27/09/355062709.db2.gz GUGIWKNUVBVUJC-QWRGUYRKSA-N 1 2 240.347 0.964 20 0 BCADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000346860671 355118811 /nfs/dbraw/zinc/11/88/11/355118811.db2.gz XYXQVTYIGFFLQX-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO CO[C@H]1CCC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000346860671 355118812 /nfs/dbraw/zinc/11/88/12/355118812.db2.gz XYXQVTYIGFFLQX-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO Cc1nnc(CC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000346817850 355123721 /nfs/dbraw/zinc/12/37/21/355123721.db2.gz OWACJNVGIOEEPF-UHFFFAOYSA-N 1 2 232.243 0.685 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335187760 355087310 /nfs/dbraw/zinc/08/73/10/355087310.db2.gz ZBUSYNUDSXHWHG-XXFAHNHDSA-N 1 2 241.360 0.919 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335187760 355087312 /nfs/dbraw/zinc/08/73/12/355087312.db2.gz ZBUSYNUDSXHWHG-XXFAHNHDSA-N 1 2 241.360 0.919 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(C)nc1 ZINC000351849516 535279272 /nfs/dbraw/zinc/27/92/72/535279272.db2.gz DUHCXVWIWUWHAU-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2n[nH]nc2n1 ZINC000346957663 355168264 /nfs/dbraw/zinc/16/82/64/355168264.db2.gz DFFCBXZTCJSODH-UHFFFAOYSA-N 1 2 243.230 0.006 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)C[C@@H]1CCCO1 ZINC000346838985 355132675 /nfs/dbraw/zinc/13/26/75/355132675.db2.gz FYSHGJLAISXEHB-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000346838985 355132676 /nfs/dbraw/zinc/13/26/76/355132676.db2.gz FYSHGJLAISXEHB-ZJUUUORDSA-N 1 2 224.308 0.987 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CO ZINC000346838326 355132714 /nfs/dbraw/zinc/13/27/14/355132714.db2.gz WYBWGVUABDBENP-ZETCQYMHSA-N 1 2 211.265 0.005 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)CO ZINC000346838326 355132715 /nfs/dbraw/zinc/13/27/15/355132715.db2.gz WYBWGVUABDBENP-ZETCQYMHSA-N 1 2 211.265 0.005 20 0 BCADLO CC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346840543 355133755 /nfs/dbraw/zinc/13/37/55/355133755.db2.gz GGZHHCSEXUBWCN-QMMMGPOBSA-N 1 2 211.265 0.148 20 0 BCADLO CC[C@@H](CO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346840543 355133759 /nfs/dbraw/zinc/13/37/59/355133759.db2.gz GGZHHCSEXUBWCN-QMMMGPOBSA-N 1 2 211.265 0.148 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@H](O)C1 ZINC000346842038 355134111 /nfs/dbraw/zinc/13/41/11/355134111.db2.gz VEZLBKBCVOHMAZ-IUCAKERBSA-N 1 2 210.281 0.333 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@H](O)C1 ZINC000346842038 355134112 /nfs/dbraw/zinc/13/41/12/355134112.db2.gz VEZLBKBCVOHMAZ-IUCAKERBSA-N 1 2 210.281 0.333 20 0 BCADLO O=C(NCC(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335240186 355155000 /nfs/dbraw/zinc/15/50/00/355155000.db2.gz KFHKSFGEIXBPIJ-ZETCQYMHSA-N 1 2 244.245 0.762 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2ncnn21 ZINC000346971638 355207423 /nfs/dbraw/zinc/20/74/23/355207423.db2.gz QEQAEKFLBSJIDC-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H](CO)O1 ZINC000346991012 355190691 /nfs/dbraw/zinc/19/06/91/355190691.db2.gz SMVWCUDEVGIFCF-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H](CO)O1 ZINC000346991012 355190696 /nfs/dbraw/zinc/19/06/96/355190696.db2.gz SMVWCUDEVGIFCF-RKDXNWHRSA-N 1 2 239.262 0.350 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000346995282 355193827 /nfs/dbraw/zinc/19/38/27/355193827.db2.gz XCSRCOXAOYBKLZ-VHSXEESVSA-N 1 2 224.308 0.844 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCOC[C@@H](C)C1 ZINC000346995282 355193828 /nfs/dbraw/zinc/19/38/28/355193828.db2.gz XCSRCOXAOYBKLZ-VHSXEESVSA-N 1 2 224.308 0.844 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@@H]1C(N)=O ZINC000639232454 355215663 /nfs/dbraw/zinc/21/56/63/355215663.db2.gz ISSFNYVYJBVZKI-GHMZBOCLSA-N 1 2 248.330 0.821 20 0 BCADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@@H]1C(N)=O ZINC000639232454 355215666 /nfs/dbraw/zinc/21/56/66/355215666.db2.gz ISSFNYVYJBVZKI-GHMZBOCLSA-N 1 2 248.330 0.821 20 0 BCADLO NC(=O)[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413125043 191357734 /nfs/dbraw/zinc/35/77/34/191357734.db2.gz PVGMCTNIGZFLDJ-MRVPVSSYSA-N 1 2 247.302 0.363 20 0 BCADLO NC(=O)[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413125043 191357736 /nfs/dbraw/zinc/35/77/36/191357736.db2.gz PVGMCTNIGZFLDJ-MRVPVSSYSA-N 1 2 247.302 0.363 20 0 BCADLO CC[C@H]([NH2+]Cc1ncc(C)o1)C(=O)NC ZINC000639241842 355228470 /nfs/dbraw/zinc/22/84/70/355228470.db2.gz MPDFZYHJZGAIDY-QMMMGPOBSA-N 1 2 211.265 0.597 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000113501644 355241198 /nfs/dbraw/zinc/24/11/98/355241198.db2.gz RVGUPEJTSSUWKV-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000113501644 355241201 /nfs/dbraw/zinc/24/12/01/355241201.db2.gz RVGUPEJTSSUWKV-SNVBAGLBSA-N 1 2 247.335 0.657 20 0 BCADLO C[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413041844 191350373 /nfs/dbraw/zinc/35/03/73/191350373.db2.gz LJVBMXRXMJDMHR-SSDOTTSWSA-N 1 2 208.265 0.844 20 0 BCADLO C[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413041844 191350375 /nfs/dbraw/zinc/35/03/75/191350375.db2.gz LJVBMXRXMJDMHR-SSDOTTSWSA-N 1 2 208.265 0.844 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)C ZINC000347670154 355259319 /nfs/dbraw/zinc/25/93/19/355259319.db2.gz PSKCHUYPJUWBIS-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)C ZINC000347670154 355259321 /nfs/dbraw/zinc/25/93/21/355259321.db2.gz PSKCHUYPJUWBIS-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000639247397 355275462 /nfs/dbraw/zinc/27/54/62/355275462.db2.gz UOXKWNZBOLDTNW-UWVGGRQHSA-N 1 2 249.318 0.058 20 0 BCADLO CS(=O)(=O)C1C[NH+](CCC2CCOCC2)C1 ZINC000639244884 355253865 /nfs/dbraw/zinc/25/38/65/355253865.db2.gz SUWUYHJLSCSGOW-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO Cn1nnc(CNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000413269242 191368093 /nfs/dbraw/zinc/36/80/93/191368093.db2.gz PKLZIJIOXUFGDC-UHFFFAOYSA-N 1 2 246.278 0.187 20 0 BCADLO Cn1nnc(CNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000413269242 191368095 /nfs/dbraw/zinc/36/80/95/191368095.db2.gz PKLZIJIOXUFGDC-UHFFFAOYSA-N 1 2 246.278 0.187 20 0 BCADLO COCC1(O)C[NH+](Cc2cccc(F)c2N)C1 ZINC000639254922 355294709 /nfs/dbraw/zinc/29/47/09/355294709.db2.gz HBXAWMLRBQHJPG-UHFFFAOYSA-N 1 2 240.278 0.601 20 0 BCADLO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349242304 355375165 /nfs/dbraw/zinc/37/51/65/355375165.db2.gz OTKIHPPCUGELMP-SSDOTTSWSA-N 1 2 240.263 0.171 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCC1CC1 ZINC000583510709 355347514 /nfs/dbraw/zinc/34/75/14/355347514.db2.gz AEYUKCLCLUMNDG-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCC1CC1 ZINC000583510709 355347517 /nfs/dbraw/zinc/34/75/17/355347517.db2.gz AEYUKCLCLUMNDG-UHFFFAOYSA-N 1 2 243.332 0.971 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275626 355352502 /nfs/dbraw/zinc/35/25/02/355352502.db2.gz UXKNSKRNCASRPT-GXSJLCMTSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000639275626 355352505 /nfs/dbraw/zinc/35/25/05/355352505.db2.gz UXKNSKRNCASRPT-GXSJLCMTSA-N 1 2 238.287 0.369 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000609549470 355355031 /nfs/dbraw/zinc/35/50/31/355355031.db2.gz OBSQCZAVHFNKHP-SNVBAGLBSA-N 1 2 244.360 0.062 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000609549470 355355034 /nfs/dbraw/zinc/35/50/34/355355034.db2.gz OBSQCZAVHFNKHP-SNVBAGLBSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782930 355430692 /nfs/dbraw/zinc/43/06/92/355430692.db2.gz CEXFUODVJAWQQX-QWRGUYRKSA-N 1 2 248.330 0.725 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000335782930 355430694 /nfs/dbraw/zinc/43/06/94/355430694.db2.gz CEXFUODVJAWQQX-QWRGUYRKSA-N 1 2 248.330 0.725 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000335786222 355436361 /nfs/dbraw/zinc/43/63/61/355436361.db2.gz LUIOUROVQCXFNX-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000335786222 355436364 /nfs/dbraw/zinc/43/63/64/355436364.db2.gz LUIOUROVQCXFNX-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnn2ccccc12 ZINC000349836744 355490762 /nfs/dbraw/zinc/49/07/62/355490762.db2.gz BUBSMWJHIFINNK-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnn2ccccc12 ZINC000349836744 355490765 /nfs/dbraw/zinc/49/07/65/355490765.db2.gz BUBSMWJHIFINNK-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO CN1CN(Cc2cn3ccccc3[nH+]2)CC1=O ZINC000335811383 355496164 /nfs/dbraw/zinc/49/61/64/355496164.db2.gz WXWURVWZZCVWPB-UHFFFAOYSA-N 1 2 230.271 0.566 20 0 BCADLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)CO)cc2n1C ZINC000335813807 355502084 /nfs/dbraw/zinc/50/20/84/355502084.db2.gz PZYUAHLIWPHCNU-QMMMGPOBSA-N 1 2 247.298 0.992 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(C)C(=O)C1 ZINC000335805936 355476492 /nfs/dbraw/zinc/47/64/92/355476492.db2.gz CCQWKAJDYAPSEC-UHFFFAOYSA-N 1 2 222.292 0.177 20 0 BCADLO CCOC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000335808763 355481701 /nfs/dbraw/zinc/48/17/01/355481701.db2.gz XUBVQWZQZXDNGC-JTQLQIEISA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N2CCC2)[C@H]1C ZINC000335815886 355505330 /nfs/dbraw/zinc/50/53/30/355505330.db2.gz BTPKSXCBDLBWDN-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCC2)[C@H]1C ZINC000335815886 355505334 /nfs/dbraw/zinc/50/53/34/355505334.db2.gz BTPKSXCBDLBWDN-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000335827611 355553629 /nfs/dbraw/zinc/55/36/29/355553629.db2.gz RIWCZUMPMCBIEO-VIFPVBQESA-N 1 2 249.270 0.324 20 0 BCADLO Cc1ccoc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000335827611 355553631 /nfs/dbraw/zinc/55/36/31/355553631.db2.gz RIWCZUMPMCBIEO-VIFPVBQESA-N 1 2 249.270 0.324 20 0 BCADLO CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335830799 355557958 /nfs/dbraw/zinc/55/79/58/355557958.db2.gz XBKWMKKZMYCCSM-VIFPVBQESA-N 1 2 222.292 0.907 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335831459 355558587 /nfs/dbraw/zinc/55/85/87/355558587.db2.gz SJVPUYXYWSNXSO-ONGXEEELSA-N 1 2 237.303 0.331 20 0 BCADLO COCc1noc(CCn2cc[nH+]c2)n1 ZINC000349867266 355512888 /nfs/dbraw/zinc/51/28/88/355512888.db2.gz YZJAIFLQLGFJBQ-UHFFFAOYSA-N 1 2 208.221 0.655 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)NC1CCC1 ZINC000350009148 355575401 /nfs/dbraw/zinc/57/54/01/355575401.db2.gz PWVKITBPEQQDFP-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000350227937 355653039 /nfs/dbraw/zinc/65/30/39/355653039.db2.gz SJUAKUMTIBRVHV-IUCAKERBSA-N 1 2 247.245 0.206 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000350227937 355653041 /nfs/dbraw/zinc/65/30/41/355653041.db2.gz SJUAKUMTIBRVHV-IUCAKERBSA-N 1 2 247.245 0.206 20 0 BCADLO C[C@H]1C[C@H](O)CN1C(=O)NCCn1cc[nH+]c1 ZINC000335871059 355637002 /nfs/dbraw/zinc/63/70/02/355637002.db2.gz MESSAENIGIPCOQ-UWVGGRQHSA-N 1 2 238.291 0.048 20 0 BCADLO NC(=O)[C@H]1CSCCN1CCn1cc[nH+]c1 ZINC000330646710 181204796 /nfs/dbraw/zinc/20/47/96/181204796.db2.gz IVPOAURCSMMKJX-SECBINFHSA-N 1 2 240.332 0.836 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cccn2)CC[S@@]1=O ZINC000336008873 134050071 /nfs/dbraw/zinc/05/00/71/134050071.db2.gz WMFCYGKSBGHLNV-BMIGLBTASA-N 1 2 227.333 0.336 20 0 BCADLO CC[C@@](C)(O)CNC(=O)CCCn1cc[nH+]c1 ZINC000608478390 355773155 /nfs/dbraw/zinc/77/31/55/355773155.db2.gz ZXRCJKAAIHCVBW-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO C[C@H]1C[N@H+](CCn2cccn2)CC[S@]1=O ZINC000336008872 134050384 /nfs/dbraw/zinc/05/03/84/134050384.db2.gz WMFCYGKSBGHLNV-ZUZCIYMTSA-N 1 2 227.333 0.336 20 0 BCADLO C[C@H]1C[N@@H+](CCn2cccn2)CC[S@]1=O ZINC000336008872 134050385 /nfs/dbraw/zinc/05/03/85/134050385.db2.gz WMFCYGKSBGHLNV-ZUZCIYMTSA-N 1 2 227.333 0.336 20 0 BCADLO Cc1occc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000639333265 355762165 /nfs/dbraw/zinc/76/21/65/355762165.db2.gz GWJGNTJTUHKKPV-LBPRGKRZSA-N 1 2 224.304 0.696 20 0 BCADLO Cc1occc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639333265 355762167 /nfs/dbraw/zinc/76/21/67/355762167.db2.gz GWJGNTJTUHKKPV-LBPRGKRZSA-N 1 2 224.304 0.696 20 0 BCADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CO)sn1 ZINC000639333296 355762432 /nfs/dbraw/zinc/76/24/32/355762432.db2.gz HHVDJUWAQGWHCS-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)sn1 ZINC000639333296 355762436 /nfs/dbraw/zinc/76/24/36/355762436.db2.gz HHVDJUWAQGWHCS-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1cnccc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639333746 355764110 /nfs/dbraw/zinc/76/41/10/355764110.db2.gz KYULTCINFLYZTB-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639333746 355764112 /nfs/dbraw/zinc/76/41/12/355764112.db2.gz KYULTCINFLYZTB-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ncc(C[N@H+]2CCN(C)C[C@@H]2CO)s1 ZINC000639336348 355770935 /nfs/dbraw/zinc/77/09/35/355770935.db2.gz HPSYFGAOCYLWOH-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN(C)C[C@@H]2CO)s1 ZINC000639336348 355770937 /nfs/dbraw/zinc/77/09/37/355770937.db2.gz HPSYFGAOCYLWOH-SNVBAGLBSA-N 1 2 241.360 0.560 20 0 BCADLO CN1CC[N@H+](Cc2ccns2)CCC1=O ZINC000639322387 355723892 /nfs/dbraw/zinc/72/38/92/355723892.db2.gz UZJWTDLPAACJGJ-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CN1CC[N@@H+](Cc2ccns2)CCC1=O ZINC000639322387 355723894 /nfs/dbraw/zinc/72/38/94/355723894.db2.gz UZJWTDLPAACJGJ-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO COc1cc(C[NH2+]Cc2cnn(C)c2)on1 ZINC000639325981 355725297 /nfs/dbraw/zinc/72/52/97/355725297.db2.gz UKTYFYZPZFFELT-UHFFFAOYSA-N 1 2 222.248 0.707 20 0 BCADLO NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000353153497 181212811 /nfs/dbraw/zinc/21/28/11/181212811.db2.gz YJEAAHMOHODAMY-UHFFFAOYSA-N 1 2 230.227 0.296 20 0 BCADLO COCC1(C[NH2+]Cc2cn[nH]n2)CCC1 ZINC000639339891 355782111 /nfs/dbraw/zinc/78/21/11/355782111.db2.gz BXTCAZCXTSOONW-UHFFFAOYSA-N 1 2 210.281 0.711 20 0 BCADLO c1cnn(C2CC([NH2+]Cc3c[nH]nn3)C2)c1 ZINC000639341297 355782946 /nfs/dbraw/zinc/78/29/46/355782946.db2.gz LLPUMEGCFOKCNN-UHFFFAOYSA-N 1 2 218.264 0.495 20 0 BCADLO c1cnn(C2CC([NH2+]Cc3cn[nH]n3)C2)c1 ZINC000639341297 355782949 /nfs/dbraw/zinc/78/29/49/355782949.db2.gz LLPUMEGCFOKCNN-UHFFFAOYSA-N 1 2 218.264 0.495 20 0 BCADLO CCn1cnc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623254531 355854902 /nfs/dbraw/zinc/85/49/02/355854902.db2.gz HAPRXKZFJHOSSM-VIFPVBQESA-N 1 2 245.286 0.454 20 0 BCADLO CO[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623255181 355856749 /nfs/dbraw/zinc/85/67/49/355856749.db2.gz SCXOHUWNNVKORT-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1(F)F ZINC000623255766 355860136 /nfs/dbraw/zinc/86/01/36/355860136.db2.gz UAKHVSROJJXGBI-XVKPBYJWSA-N 1 2 241.241 0.969 20 0 BCADLO C[C@H](CO)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000608564666 355860786 /nfs/dbraw/zinc/86/07/86/355860786.db2.gz CUZQPNPOJBRTBX-VIFPVBQESA-N 1 2 224.308 0.285 20 0 BCADLO C[C@H](CO)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000608564666 355860788 /nfs/dbraw/zinc/86/07/88/355860788.db2.gz CUZQPNPOJBRTBX-VIFPVBQESA-N 1 2 224.308 0.285 20 0 BCADLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000191902030 355863707 /nfs/dbraw/zinc/86/37/07/355863707.db2.gz OIJWOYQENMTDLM-YUMQZZPRSA-N 1 2 226.280 0.403 20 0 BCADLO NC(=O)C1([NH2+]Cc2ccc(F)cn2)CC1 ZINC000308923900 181215473 /nfs/dbraw/zinc/21/54/73/181215473.db2.gz JVHIMCQXOWAYLF-UHFFFAOYSA-N 1 2 209.224 0.328 20 0 BCADLO COC1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000563897016 355867821 /nfs/dbraw/zinc/86/78/21/355867821.db2.gz RGKWYEQEYPPELC-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO COC1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000563897016 355867827 /nfs/dbraw/zinc/86/78/27/355867827.db2.gz RGKWYEQEYPPELC-SECBINFHSA-N 1 2 237.303 0.836 20 0 BCADLO NC(=O)C1([NH2+]Cc2nccc(N)n2)CCCCC1 ZINC000135206550 181215838 /nfs/dbraw/zinc/21/58/38/181215838.db2.gz FEMTYRJHAXPZEE-UHFFFAOYSA-N 1 2 249.318 0.337 20 0 BCADLO C[C@@H]1C[NH+](Cc2nnnn2C)C[C@@H](C)S1 ZINC000608502849 355830096 /nfs/dbraw/zinc/83/00/96/355830096.db2.gz FKQHEORHLIHLIY-HTQZYQBOSA-N 1 2 227.337 0.536 20 0 BCADLO NC(=O)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000353817450 181218758 /nfs/dbraw/zinc/21/87/58/181218758.db2.gz BUJZPDIBLAPIEX-UHFFFAOYSA-N 1 2 244.254 0.686 20 0 BCADLO COc1nccc(C[NH2+]C2(C)COC2)n1 ZINC000639381056 355917959 /nfs/dbraw/zinc/91/79/59/355917959.db2.gz OIHWFODERTUQNC-UHFFFAOYSA-N 1 2 209.249 0.364 20 0 BCADLO COCc1cc(C[NH2+]C2(C)COC2)no1 ZINC000639380979 355920518 /nfs/dbraw/zinc/92/05/18/355920518.db2.gz MKXRKEHJHCKCDH-UHFFFAOYSA-N 1 2 212.249 0.700 20 0 BCADLO CC[C@]1(O)CCC[N@H+](Cc2ncnn2C)C1 ZINC000639381344 355921691 /nfs/dbraw/zinc/92/16/91/355921691.db2.gz BCVDRDHSVFMIIJ-NSHDSACASA-N 1 2 224.308 0.552 20 0 BCADLO CC[C@]1(O)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000639381344 355921694 /nfs/dbraw/zinc/92/16/94/355921694.db2.gz BCVDRDHSVFMIIJ-NSHDSACASA-N 1 2 224.308 0.552 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000628370886 355884044 /nfs/dbraw/zinc/88/40/44/355884044.db2.gz IVYLYUGWJANZGV-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000628370886 355884048 /nfs/dbraw/zinc/88/40/48/355884048.db2.gz IVYLYUGWJANZGV-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000371019159 355885085 /nfs/dbraw/zinc/88/50/85/355885085.db2.gz QFCVFSRUNSTUFB-UHFFFAOYSA-N 1 2 248.330 0.607 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ncc[nH]1 ZINC000351484959 355998106 /nfs/dbraw/zinc/99/81/06/355998106.db2.gz HDQXWSKATJVJJA-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ncc[nH]1 ZINC000351484960 355998616 /nfs/dbraw/zinc/99/86/16/355998616.db2.gz HDQXWSKATJVJJA-SNVBAGLBSA-N 1 2 247.302 0.744 20 0 BCADLO C[C@@H]([NH2+]Cc1csnn1)[C@@H](O)C(F)(F)F ZINC000639387686 356003624 /nfs/dbraw/zinc/00/36/24/356003624.db2.gz RLRPKWUNIALONX-INEUFUBQSA-N 1 2 241.238 0.939 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccnc(C)n2)[C@H](C)C1 ZINC000351623366 356032700 /nfs/dbraw/zinc/03/27/00/356032700.db2.gz HVNKHNUXUPBGFY-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)n2)[C@H](C)C1 ZINC000351623366 356032706 /nfs/dbraw/zinc/03/27/06/356032706.db2.gz HVNKHNUXUPBGFY-SNVBAGLBSA-N 1 2 248.330 0.838 20 0 BCADLO CO[C@@](C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258237 356065314 /nfs/dbraw/zinc/06/53/14/356065314.db2.gz LEOIFZGUXVZNRC-ZWNOBZJWSA-N 1 2 249.314 0.739 20 0 BCADLO NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000065426534 181239560 /nfs/dbraw/zinc/23/95/60/181239560.db2.gz ATOXIAZJBBJLAP-UHFFFAOYSA-N 1 2 217.228 0.736 20 0 BCADLO NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181303311 181229946 /nfs/dbraw/zinc/22/99/46/181229946.db2.gz GZZHEAJSKGEZJI-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181303311 181229947 /nfs/dbraw/zinc/22/99/47/181229947.db2.gz GZZHEAJSKGEZJI-UHFFFAOYSA-N 1 2 205.261 0.531 20 0 BCADLO NC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000121513564 181233327 /nfs/dbraw/zinc/23/33/27/181233327.db2.gz FEZQFCPHDKPZFT-UHFFFAOYSA-N 1 2 225.317 0.355 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnnn1C ZINC000351714084 356068562 /nfs/dbraw/zinc/06/85/62/356068562.db2.gz YVEVJVQSUKPMGE-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1Cc1cnnn1C ZINC000351714084 356068565 /nfs/dbraw/zinc/06/85/65/356068565.db2.gz YVEVJVQSUKPMGE-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cn1 ZINC000351718399 356069542 /nfs/dbraw/zinc/06/95/42/356069542.db2.gz JJAPITNASYMIQD-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@](C)=O)cn1 ZINC000351718399 356069545 /nfs/dbraw/zinc/06/95/45/356069545.db2.gz JJAPITNASYMIQD-ABKXIKBNSA-N 1 2 241.360 0.984 20 0 BCADLO CCOc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000351806639 356088757 /nfs/dbraw/zinc/08/87/57/356088757.db2.gz GKWORCMWCRXBEK-JGVFFNPUSA-N 1 2 243.332 0.749 20 0 BCADLO CCOc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000351806639 356088760 /nfs/dbraw/zinc/08/87/60/356088760.db2.gz GKWORCMWCRXBEK-JGVFFNPUSA-N 1 2 243.332 0.749 20 0 BCADLO C[C@H]1C[C@H](C)N1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632803566 356092924 /nfs/dbraw/zinc/09/29/24/356092924.db2.gz HBLRPDUFJPLTBZ-QWRGUYRKSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@@H]1C[C@@H](C)N1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632803564 356093074 /nfs/dbraw/zinc/09/30/74/356093074.db2.gz HBLRPDUFJPLTBZ-GHMZBOCLSA-N 1 2 238.331 0.861 20 0 BCADLO C[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000351842111 356096334 /nfs/dbraw/zinc/09/63/34/356096334.db2.gz JBYQDGZZDLUBTH-SECBINFHSA-N 1 2 246.270 0.378 20 0 BCADLO Cc1[nH]c(CN2CCSC[C@H]2CO)[nH+]c1C ZINC000639396624 356103213 /nfs/dbraw/zinc/10/32/13/356103213.db2.gz JVEROHSBJLGQBU-SNVBAGLBSA-N 1 2 241.360 0.936 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@@]12CCOC2 ZINC000623262037 356161786 /nfs/dbraw/zinc/16/17/86/356161786.db2.gz LPFUHXWEIJCRJJ-SUZMYJTESA-N 1 2 247.298 0.351 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@]12CCOC2 ZINC000623262036 356161857 /nfs/dbraw/zinc/16/18/57/356161857.db2.gz LPFUHXWEIJCRJJ-IRUJWGPZSA-N 1 2 247.298 0.351 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288977274 181254823 /nfs/dbraw/zinc/25/48/23/181254823.db2.gz ZDMAUDNOPZGMOC-UHFFFAOYSA-N 1 2 237.259 0.223 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288977274 181254824 /nfs/dbraw/zinc/25/48/24/181254824.db2.gz ZDMAUDNOPZGMOC-UHFFFAOYSA-N 1 2 237.259 0.223 20 0 BCADLO NC(=O)NC(=O)OCCC[N@@H+]1CCC=C(F)C1 ZINC000272395627 181255452 /nfs/dbraw/zinc/25/54/52/181255452.db2.gz DHEQTBGIAAKYDK-UHFFFAOYSA-N 1 2 245.254 0.741 20 0 BCADLO NC(=O)NC(=O)OCCC[N@H+]1CCC=C(F)C1 ZINC000272395627 181255454 /nfs/dbraw/zinc/25/54/54/181255454.db2.gz DHEQTBGIAAKYDK-UHFFFAOYSA-N 1 2 245.254 0.741 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000623262441 356169891 /nfs/dbraw/zinc/16/98/91/356169891.db2.gz BRBJKAFVYGNTRI-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351904225 356175749 /nfs/dbraw/zinc/17/57/49/356175749.db2.gz OBITZSWYPPXFNH-RTHLEPHNSA-N 1 2 219.306 0.002 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351904225 356175752 /nfs/dbraw/zinc/17/57/52/356175752.db2.gz OBITZSWYPPXFNH-RTHLEPHNSA-N 1 2 219.306 0.002 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000335912633 356135931 /nfs/dbraw/zinc/13/59/31/356135931.db2.gz IFIPYZAEGOKWIW-AOOOYVTPSA-N 1 2 214.309 0.574 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000335912633 356135933 /nfs/dbraw/zinc/13/59/33/356135933.db2.gz IFIPYZAEGOKWIW-AOOOYVTPSA-N 1 2 214.309 0.574 20 0 BCADLO CC(C)(O)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261259 356143975 /nfs/dbraw/zinc/14/39/75/356143975.db2.gz IKGCLXJRRBOGQE-VIFPVBQESA-N 1 2 237.303 0.475 20 0 BCADLO NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281210194 181251588 /nfs/dbraw/zinc/25/15/88/181251588.db2.gz QNNJCGSTWCTOKR-UHFFFAOYSA-N 1 2 209.249 0.476 20 0 BCADLO NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000337711813 181252039 /nfs/dbraw/zinc/25/20/39/181252039.db2.gz OAISZJZFTQZOCV-UHFFFAOYSA-N 1 2 220.276 0.278 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000623264663 356236478 /nfs/dbraw/zinc/23/64/78/356236478.db2.gz QAZLESMSSIQZRD-RKDXNWHRSA-N 1 2 237.328 0.677 20 0 BCADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264111 356229503 /nfs/dbraw/zinc/22/95/03/356229503.db2.gz GGWGPYXFQZTYBI-QMMMGPOBSA-N 1 2 205.261 0.724 20 0 BCADLO O=C(CC[C@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264426 356236325 /nfs/dbraw/zinc/23/63/25/356236325.db2.gz LHFZMYSDQFRIPQ-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(CC[C@@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264425 356236408 /nfs/dbraw/zinc/23/64/08/356236408.db2.gz LHFZMYSDQFRIPQ-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO Cc1ccncc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264765 356236513 /nfs/dbraw/zinc/23/65/13/356236513.db2.gz SZPDNTJNCIMBPA-JTQLQIEISA-N 1 2 242.282 0.941 20 0 BCADLO C[C@](O)(CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263114 356198570 /nfs/dbraw/zinc/19/85/70/356198570.db2.gz CCEKKQOSTYPUPV-MFKMUULPSA-N 1 2 249.314 0.475 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331658231 356201486 /nfs/dbraw/zinc/20/14/86/356201486.db2.gz PURVFUKPEABEAR-VIFPVBQESA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331658231 356201489 /nfs/dbraw/zinc/20/14/89/356201489.db2.gz PURVFUKPEABEAR-VIFPVBQESA-N 1 2 224.308 0.714 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623264459 356236589 /nfs/dbraw/zinc/23/65/89/356236589.db2.gz MAHUNVHPRNKRBO-SNVBAGLBSA-N 1 2 230.271 0.576 20 0 BCADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccccn1 ZINC000639477246 356272584 /nfs/dbraw/zinc/27/25/84/356272584.db2.gz ZDJTWHWBASWUNR-VIFPVBQESA-N 1 2 221.260 0.087 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccccn1 ZINC000639477246 356272585 /nfs/dbraw/zinc/27/25/85/356272585.db2.gz ZDJTWHWBASWUNR-VIFPVBQESA-N 1 2 221.260 0.087 20 0 BCADLO NC(=O)N[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270711534 181261563 /nfs/dbraw/zinc/26/15/63/181261563.db2.gz LJHASSXZAMNJNZ-QMMMGPOBSA-N 1 2 245.286 0.810 20 0 BCADLO O=C(CC1CCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265616 356299093 /nfs/dbraw/zinc/29/90/93/356299093.db2.gz JZIFKQMKUAXWQL-LLVKDONJSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724983 356301295 /nfs/dbraw/zinc/30/12/95/356301295.db2.gz FPTNBGZBJILIJA-NOOOWODRSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724983 356301299 /nfs/dbraw/zinc/30/12/99/356301299.db2.gz FPTNBGZBJILIJA-NOOOWODRSA-N 1 2 240.347 0.868 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617735751 356303881 /nfs/dbraw/zinc/30/38/81/356303881.db2.gz UACVMFZXJRZASH-GARJFASQSA-N 1 2 244.335 0.247 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617735751 356303883 /nfs/dbraw/zinc/30/38/83/356303883.db2.gz UACVMFZXJRZASH-GARJFASQSA-N 1 2 244.335 0.247 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617736994 356304020 /nfs/dbraw/zinc/30/40/20/356304020.db2.gz BMCGSWAFEHFIHB-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617736994 356304024 /nfs/dbraw/zinc/30/40/24/356304024.db2.gz BMCGSWAFEHFIHB-WDEREUQCSA-N 1 2 228.336 0.868 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1CC1 ZINC000617745016 356306405 /nfs/dbraw/zinc/30/64/05/356306405.db2.gz DVTJBFJDVYESSM-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1CC1 ZINC000617745016 356306407 /nfs/dbraw/zinc/30/64/07/356306407.db2.gz DVTJBFJDVYESSM-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1Cc2cncn2C1 ZINC000623267188 356319125 /nfs/dbraw/zinc/31/91/25/356319125.db2.gz MGYHEHPIACZARN-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639494693 356320275 /nfs/dbraw/zinc/32/02/75/356320275.db2.gz CNLOQBNYHMMRSE-NSHDSACASA-N 1 2 234.303 0.230 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639494693 356320276 /nfs/dbraw/zinc/32/02/76/356320276.db2.gz CNLOQBNYHMMRSE-NSHDSACASA-N 1 2 234.303 0.230 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@H](C)O)[nH]1 ZINC000352185503 134097482 /nfs/dbraw/zinc/09/74/82/134097482.db2.gz CZSSXFLVGMDTFV-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)O)[nH]1 ZINC000352185503 134097483 /nfs/dbraw/zinc/09/74/83/134097483.db2.gz CZSSXFLVGMDTFV-QMMMGPOBSA-N 1 2 212.297 0.570 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121039959 181267661 /nfs/dbraw/zinc/26/76/61/181267661.db2.gz QCYZLSXXOYSWDI-BQBZGAKWSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121039959 181267663 /nfs/dbraw/zinc/26/76/63/181267663.db2.gz QCYZLSXXOYSWDI-BQBZGAKWSA-N 1 2 240.225 0.249 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@H](O)C2(C)C)C1 ZINC000564224754 324872553 /nfs/dbraw/zinc/87/25/53/324872553.db2.gz ONHPUYOKESEUQS-ZJUUUORDSA-N 1 2 240.347 0.604 20 0 BCADLO O=C(COCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623273218 356398362 /nfs/dbraw/zinc/39/83/62/356398362.db2.gz LAEZAZAGYSMNLH-JTQLQIEISA-N 1 2 235.287 0.351 20 0 BCADLO CC[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623275206 356410099 /nfs/dbraw/zinc/41/00/99/356410099.db2.gz CKLTUVONOWKSSZ-IUCAKERBSA-N 1 2 207.277 0.970 20 0 BCADLO CC(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336144862 134101707 /nfs/dbraw/zinc/10/17/07/134101707.db2.gz QYGCWRBHQVHZGD-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CCOC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000190024487 356429077 /nfs/dbraw/zinc/42/90/77/356429077.db2.gz KGQNZERCNVETBQ-UHFFFAOYSA-N 1 2 201.266 0.254 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000190024487 356429082 /nfs/dbraw/zinc/42/90/82/356429082.db2.gz KGQNZERCNVETBQ-UHFFFAOYSA-N 1 2 201.266 0.254 20 0 BCADLO C[C@H]([NH2+]CC(N)=O)c1nc(C(C)(C)C)no1 ZINC000192682003 356429500 /nfs/dbraw/zinc/42/95/00/356429500.db2.gz WYWXVPUMHCSVFG-LURJTMIESA-N 1 2 226.280 0.503 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623273743 356403166 /nfs/dbraw/zinc/40/31/66/356403166.db2.gz XSXCSOLBFMEYBU-DTWKUNHWSA-N 1 2 223.276 0.349 20 0 BCADLO CCc1n[nH]cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274539 356408190 /nfs/dbraw/zinc/40/81/90/356408190.db2.gz ONWZWGCPBIHJQR-QMMMGPOBSA-N 1 2 245.286 0.523 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000639556709 356461132 /nfs/dbraw/zinc/46/11/32/356461132.db2.gz YCZVECSMJOEECO-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000639556709 356461134 /nfs/dbraw/zinc/46/11/34/356461134.db2.gz YCZVECSMJOEECO-YUMQZZPRSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cc[nH]n2)[C@H](C(N)=O)C1 ZINC000190156316 356436011 /nfs/dbraw/zinc/43/60/11/356436011.db2.gz NKXQXFGSBIUFCC-SCZZXKLOSA-N 1 2 222.292 0.496 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)[C@H](C(N)=O)C1 ZINC000190156316 356436015 /nfs/dbraw/zinc/43/60/15/356436015.db2.gz NKXQXFGSBIUFCC-SCZZXKLOSA-N 1 2 222.292 0.496 20 0 BCADLO O=S1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190537319 356447745 /nfs/dbraw/zinc/44/77/45/356447745.db2.gz HZNJLTWFYRWZCE-LBPRGKRZSA-N 1 2 245.388 0.992 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000162107942 181279830 /nfs/dbraw/zinc/27/98/30/181279830.db2.gz ZAPVKIHKRSYDJB-SECBINFHSA-N 1 2 208.265 0.250 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000162107942 181279831 /nfs/dbraw/zinc/27/98/31/181279831.db2.gz ZAPVKIHKRSYDJB-SECBINFHSA-N 1 2 208.265 0.250 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000179333993 366243177 /nfs/dbraw/zinc/24/31/77/366243177.db2.gz VCTFSMPGMMVERP-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](OCCOC)C1 ZINC000179333993 366243181 /nfs/dbraw/zinc/24/31/81/366243181.db2.gz VCTFSMPGMMVERP-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO NC(=O)[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227849216 181283114 /nfs/dbraw/zinc/28/31/14/181283114.db2.gz IHBZKXJMJBFCMT-YFKPBYRVSA-N 1 2 241.682 0.024 20 0 BCADLO NC(=O)[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227849216 181283116 /nfs/dbraw/zinc/28/31/16/181283116.db2.gz IHBZKXJMJBFCMT-YFKPBYRVSA-N 1 2 241.682 0.024 20 0 BCADLO CC(C)N1CC[N@H+](CCc2cnccn2)CC1=O ZINC000639574607 356497223 /nfs/dbraw/zinc/49/72/23/356497223.db2.gz OGWSWDGUKMEEIO-UHFFFAOYSA-N 1 2 248.330 0.572 20 0 BCADLO CC(C)N1CC[N@@H+](CCc2cnccn2)CC1=O ZINC000639574607 356497224 /nfs/dbraw/zinc/49/72/24/356497224.db2.gz OGWSWDGUKMEEIO-UHFFFAOYSA-N 1 2 248.330 0.572 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(C(=O)NC)CC1 ZINC000336168723 134114349 /nfs/dbraw/zinc/11/43/49/134114349.db2.gz KHFAOKRDSUYNOM-VIFPVBQESA-N 1 2 217.288 0.692 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585455 356508280 /nfs/dbraw/zinc/50/82/80/356508280.db2.gz HAYMDONSEFLDFW-BDAKNGLRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585455 356508285 /nfs/dbraw/zinc/50/82/85/356508285.db2.gz HAYMDONSEFLDFW-BDAKNGLRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000639585455 356508288 /nfs/dbraw/zinc/50/82/88/356508288.db2.gz HAYMDONSEFLDFW-BDAKNGLRSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@H]1OCC[C@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000639585455 356508290 /nfs/dbraw/zinc/50/82/90/356508290.db2.gz HAYMDONSEFLDFW-BDAKNGLRSA-N 1 2 238.291 0.224 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420946172 192276589 /nfs/dbraw/zinc/27/65/89/192276589.db2.gz UDEDUYRYKUTAHG-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420946172 192276592 /nfs/dbraw/zinc/27/65/92/192276592.db2.gz UDEDUYRYKUTAHG-UWVGGRQHSA-N 1 2 245.319 0.410 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420948616 192276703 /nfs/dbraw/zinc/27/67/03/192276703.db2.gz VWFHIQHRWNGJCL-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420948616 192276706 /nfs/dbraw/zinc/27/67/06/192276706.db2.gz VWFHIQHRWNGJCL-NSHDSACASA-N 1 2 240.303 0.955 20 0 BCADLO COC[C@@H]1C[N@H+](CC(C)=O)C[C@@H](C)O1 ZINC000639604339 356524953 /nfs/dbraw/zinc/52/49/53/356524953.db2.gz NVUHDBGACTXCPG-ZJUUUORDSA-N 1 2 201.266 0.311 20 0 BCADLO COC[C@@H]1C[N@@H+](CC(C)=O)C[C@@H](C)O1 ZINC000639604339 356524956 /nfs/dbraw/zinc/52/49/56/356524956.db2.gz NVUHDBGACTXCPG-ZJUUUORDSA-N 1 2 201.266 0.311 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccco1 ZINC000336181213 134119907 /nfs/dbraw/zinc/11/99/07/134119907.db2.gz RFYRMWVSRZJDJJ-UHFFFAOYSA-N 1 2 241.272 0.492 20 0 BCADLO CC[C@@H]1C[NH+](CC(=O)NC)C[C@@H](CC)O1 ZINC000420960044 192281401 /nfs/dbraw/zinc/28/14/01/192281401.db2.gz QWBBZAPVPWDSPP-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO Cn1cccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623295663 356531756 /nfs/dbraw/zinc/53/17/56/356531756.db2.gz PAFOKUVWJZXKCR-SNVBAGLBSA-N 1 2 244.298 0.966 20 0 BCADLO CCC[N@H+](CC(C)=O)[C@H]1CC(=O)N(C)C1=O ZINC000639629724 356544795 /nfs/dbraw/zinc/54/47/95/356544795.db2.gz QWUCWFDYERCESD-VIFPVBQESA-N 1 2 226.276 0.045 20 0 BCADLO CCC[N@@H+](CC(C)=O)[C@H]1CC(=O)N(C)C1=O ZINC000639629724 356544798 /nfs/dbraw/zinc/54/47/98/356544798.db2.gz QWUCWFDYERCESD-VIFPVBQESA-N 1 2 226.276 0.045 20 0 BCADLO c1cnc(CC[N@@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000639625501 356539025 /nfs/dbraw/zinc/53/90/25/356539025.db2.gz XOSILRGZEPYXJJ-ZDUSSCGKSA-N 1 2 249.314 0.510 20 0 BCADLO c1cnc(CC[N@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000639625501 356539030 /nfs/dbraw/zinc/53/90/30/356539030.db2.gz XOSILRGZEPYXJJ-ZDUSSCGKSA-N 1 2 249.314 0.510 20 0 BCADLO C[N@H+](CCCO)Cc1nc(CC2CC2)no1 ZINC000639625402 356539183 /nfs/dbraw/zinc/53/91/83/356539183.db2.gz VAWVIOUIHFSABD-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO C[N@@H+](CCCO)Cc1nc(CC2CC2)no1 ZINC000639625402 356539186 /nfs/dbraw/zinc/53/91/86/356539186.db2.gz VAWVIOUIHFSABD-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000449770052 202030492 /nfs/dbraw/zinc/03/04/92/202030492.db2.gz IITVDZPQNFONRQ-JTQLQIEISA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000449770052 202030494 /nfs/dbraw/zinc/03/04/94/202030494.db2.gz IITVDZPQNFONRQ-JTQLQIEISA-N 1 2 240.328 0.824 20 0 BCADLO CC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000639624275 356543303 /nfs/dbraw/zinc/54/33/03/356543303.db2.gz DNQYCNVEFBXIPI-CYBMUJFWSA-N 1 2 235.283 0.835 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297553 356549629 /nfs/dbraw/zinc/54/96/29/356549629.db2.gz HNYHAGRBHSTARE-FXPVBKGRSA-N 1 2 219.288 0.970 20 0 BCADLO COC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623297313 356549669 /nfs/dbraw/zinc/54/96/69/356549669.db2.gz BCCHDTQYMVNAPA-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO Cn1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000623298951 356555575 /nfs/dbraw/zinc/55/55/75/356555575.db2.gz MSXATRIMMHARIU-JTQLQIEISA-N 1 2 245.286 0.361 20 0 BCADLO O=C(Cn1cccn1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299321 356556613 /nfs/dbraw/zinc/55/66/13/356556613.db2.gz WEDUYTZFGLOQAN-JTQLQIEISA-N 1 2 245.286 0.211 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H](O)C1CCC1 ZINC000623299275 356556676 /nfs/dbraw/zinc/55/66/76/356556676.db2.gz VCIGGBRTQOKGRE-PWSUYJOCSA-N 1 2 249.314 0.475 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CC[C@]12CCOC2 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ZINC000623303539 356593441 /nfs/dbraw/zinc/59/34/41/356593441.db2.gz FEBDABYYKJXBLK-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303348 356593727 /nfs/dbraw/zinc/59/37/27/356593727.db2.gz ALHBEIBBXHAYBO-SNVBAGLBSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(O)CCCC1 ZINC000623300964 356575604 /nfs/dbraw/zinc/57/56/04/356575604.db2.gz AUZKDLVGMMEWBY-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(O)CCCC1 ZINC000623300963 356575783 /nfs/dbraw/zinc/57/57/83/356575783.db2.gz AUZKDLVGMMEWBY-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccncn1 ZINC000623303876 356594194 /nfs/dbraw/zinc/59/41/94/356594194.db2.gz MTONCUFXGHGXDZ-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301965 356577478 /nfs/dbraw/zinc/57/74/78/356577478.db2.gz WZZAWASEBKWWDA-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO CO[C@H]1C[N@H+](CCc2cnn[nH]2)CC[C@@H]1C 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ZINC000639837596 356830495 /nfs/dbraw/zinc/83/04/95/356830495.db2.gz NIXHAWNQIDPCIQ-NEPJUHHUSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CCO1 ZINC000639837596 356830499 /nfs/dbraw/zinc/83/04/99/356830499.db2.gz NIXHAWNQIDPCIQ-NEPJUHHUSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H](C)CN2CCOCC2)CCO1 ZINC000639837596 356830503 /nfs/dbraw/zinc/83/05/03/356830503.db2.gz NIXHAWNQIDPCIQ-NEPJUHHUSA-N 1 2 244.335 0.012 20 0 BCADLO COC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000390508145 356883063 /nfs/dbraw/zinc/88/30/63/356883063.db2.gz YBTQQWYJZHBEQM-IUCAKERBSA-N 1 2 233.308 0.171 20 0 BCADLO COC1CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000623365842 356841017 /nfs/dbraw/zinc/84/10/17/356841017.db2.gz DWECNOCDPHLBEU-UHFFFAOYSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000352051784 538711786 /nfs/dbraw/zinc/71/17/86/538711786.db2.gz FLLWOFCKMDFBFL-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](CO)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000352051784 538711791 /nfs/dbraw/zinc/71/17/91/538711791.db2.gz FLLWOFCKMDFBFL-IUCAKERBSA-N 1 2 225.292 0.475 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639846520 356841837 /nfs/dbraw/zinc/84/18/37/356841837.db2.gz APUUWMCCTHUWIP-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639846520 356841841 /nfs/dbraw/zinc/84/18/41/356841841.db2.gz APUUWMCCTHUWIP-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO CCC[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623367758 356852100 /nfs/dbraw/zinc/85/21/00/356852100.db2.gz RQNZINBMCKXFHX-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CCC[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623367758 356852105 /nfs/dbraw/zinc/85/21/05/356852105.db2.gz RQNZINBMCKXFHX-QWRGUYRKSA-N 1 2 243.351 0.805 20 0 BCADLO CCc1nc(C(=O)NCCCn2cc[nH+]c2)no1 ZINC000359374946 356888921 /nfs/dbraw/zinc/88/89/21/356888921.db2.gz GHYZGFABQQYACO-UHFFFAOYSA-N 1 2 249.274 0.649 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C12CC(C1)C2 ZINC000623381359 356905138 /nfs/dbraw/zinc/90/51/38/356905138.db2.gz PJNNFFIQZIJLFA-UHFFFAOYSA-N 1 2 224.304 0.235 20 0 BCADLO CCOC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356521014 538741339 /nfs/dbraw/zinc/74/13/39/538741339.db2.gz SWAXOECXCPZNGI-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CCOC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356521014 538741346 /nfs/dbraw/zinc/74/13/46/538741346.db2.gz SWAXOECXCPZNGI-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CCN1CCC[N@H+](Cc2ccnc(C)n2)CC1=O ZINC000369175482 356982944 /nfs/dbraw/zinc/98/29/44/356982944.db2.gz WEMBLEWGBJZZQJ-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CCN1CCC[N@@H+](Cc2ccnc(C)n2)CC1=O ZINC000369175482 356982948 /nfs/dbraw/zinc/98/29/48/356982948.db2.gz WEMBLEWGBJZZQJ-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO C[N@@H+]1CCN([C@@H]2C=CCCC2)[C@H](CO)C1 ZINC000639872262 357042577 /nfs/dbraw/zinc/04/25/77/357042577.db2.gz VCOXDQYWYWHKCS-NEPJUHHUSA-N 1 2 210.321 0.703 20 0 BCADLO C[N@H+]1CCN([C@@H]2C=CCCC2)[C@H](CO)C1 ZINC000639872262 357042580 /nfs/dbraw/zinc/04/25/80/357042580.db2.gz VCOXDQYWYWHKCS-NEPJUHHUSA-N 1 2 210.321 0.703 20 0 BCADLO Cn1ncnc1C[NH+]1CCC(CCO)CC1 ZINC000389723701 357020050 /nfs/dbraw/zinc/02/00/50/357020050.db2.gz IUKOCALMZUHIOM-UHFFFAOYSA-N 1 2 224.308 0.410 20 0 BCADLO CCC(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000204272590 538789416 /nfs/dbraw/zinc/78/94/16/538789416.db2.gz OOEGUGLAPPCFCA-UHFFFAOYSA-N 1 2 209.249 0.438 20 0 BCADLO CCC(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000204272590 538789418 /nfs/dbraw/zinc/78/94/18/538789418.db2.gz OOEGUGLAPPCFCA-UHFFFAOYSA-N 1 2 209.249 0.438 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnccn1 ZINC000355257703 538792289 /nfs/dbraw/zinc/79/22/89/538792289.db2.gz RHDJLWGPSYQAMI-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO CCn1ccnc1C[NH2+]C1CN(C(C)=O)C1 ZINC000582431087 357147765 /nfs/dbraw/zinc/14/77/65/357147765.db2.gz RPWUXDUXTISLQP-UHFFFAOYSA-N 1 2 222.292 0.223 20 0 BCADLO CCc1nc(N2C[C@H](O)C[C@@H]2CO)cc(C)[nH+]1 ZINC000376404269 357202092 /nfs/dbraw/zinc/20/20/92/357202092.db2.gz 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FOZKSXXWHLIXNV-PSASIEDQSA-N 1 2 220.276 0.091 20 0 BCADLO CO[C@@H](C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000356800132 538818282 /nfs/dbraw/zinc/81/82/82/538818282.db2.gz JAUXDEDCSSYZFM-SNVBAGLBSA-N 1 2 225.292 0.707 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](CO)C2)cc[nH+]1 ZINC000639899520 357277531 /nfs/dbraw/zinc/27/75/31/357277531.db2.gz AYJNOSXCVBGEGA-JGZJWPJOSA-N 1 2 235.287 0.704 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H]3C[C@@]3(O)C2)cc[nH+]1 ZINC000639899598 357278456 /nfs/dbraw/zinc/27/84/56/357278456.db2.gz DENBGQOTMMVASX-BXKDBHETSA-N 1 2 233.271 0.410 20 0 BCADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)on1 ZINC000582478955 357316356 /nfs/dbraw/zinc/31/63/56/357316356.db2.gz FFLJDXUWTNPQGB-UHFFFAOYSA-N 1 2 220.232 0.496 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CO1 ZINC000582548499 357332600 /nfs/dbraw/zinc/33/26/00/357332600.db2.gz OOTGUQWKNJNNTP-BDAKNGLRSA-N 1 2 223.276 0.256 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@@H](C)O1 ZINC000582671964 357360358 /nfs/dbraw/zinc/36/03/58/357360358.db2.gz ZHUAESDJDNMZPU-MXWKQRLJSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)O1 ZINC000582671966 357360619 /nfs/dbraw/zinc/36/06/19/357360619.db2.gz ZHUAESDJDNMZPU-VWYCJHECSA-N 1 2 237.303 0.813 20 0 BCADLO O=C(Cn1cc[nH+]c1)N(C[C@H]1CCOC1)C1CC1 ZINC000582937943 357440745 /nfs/dbraw/zinc/44/07/45/357440745.db2.gz PJBFYSFBCZIZRO-LLVKDONJSA-N 1 2 249.314 0.911 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC000582864363 357415797 /nfs/dbraw/zinc/41/57/97/357415797.db2.gz BRNQAJLLVCHPMT-GXSJLCMTSA-N 1 2 237.303 0.192 20 0 BCADLO CCOCC(=O)NCc1[nH+]ccn1CC ZINC000395520429 357442923 /nfs/dbraw/zinc/44/29/23/357442923.db2.gz VYSXGCXXCFCRHE-UHFFFAOYSA-N 1 2 211.265 0.556 20 0 BCADLO COCC[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000582880582 357429511 /nfs/dbraw/zinc/42/95/11/357429511.db2.gz QLCBIYWGFNNAJK-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO COCC[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000582880582 357429514 /nfs/dbraw/zinc/42/95/14/357429514.db2.gz QLCBIYWGFNNAJK-SECBINFHSA-N 1 2 240.307 0.011 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000582923973 357436979 /nfs/dbraw/zinc/43/69/79/357436979.db2.gz LXFPATZLFOYJBV-PSASIEDQSA-N 1 2 207.277 0.877 20 0 BCADLO C[C@H](NC(=O)c1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000158075138 538848574 /nfs/dbraw/zinc/84/85/74/538848574.db2.gz LBUDDJSTMZAASM-ONGXEEELSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@H](NC(=O)c1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158075138 538848582 /nfs/dbraw/zinc/84/85/82/538848582.db2.gz LBUDDJSTMZAASM-ONGXEEELSA-N 1 2 238.287 0.729 20 0 BCADLO CC(=O)C1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000582981648 357445531 /nfs/dbraw/zinc/44/55/31/357445531.db2.gz JWXXMSBWLCGVFO-UHFFFAOYSA-N 1 2 233.271 0.595 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC1 ZINC000583015716 357461491 /nfs/dbraw/zinc/46/14/91/357461491.db2.gz DCINDGYCOSCNIT-UHFFFAOYSA-N 1 2 244.254 0.551 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)CSC ZINC000187812181 357517439 /nfs/dbraw/zinc/51/74/39/357517439.db2.gz KIGIJJMLICPFKL-QMMMGPOBSA-N 1 2 235.349 0.642 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000188591852 357540795 /nfs/dbraw/zinc/54/07/95/357540795.db2.gz NHYOBMHENULEFY-AXFHLTTASA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000188591852 357540798 /nfs/dbraw/zinc/54/07/98/357540798.db2.gz NHYOBMHENULEFY-AXFHLTTASA-N 1 2 249.376 0.919 20 0 BCADLO O=C(NC1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188408024 357552097 /nfs/dbraw/zinc/55/20/97/357552097.db2.gz AJYPQVAAUBXQNU-LBPRGKRZSA-N 1 2 238.331 0.908 20 0 BCADLO O=C(NC1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188408024 357552101 /nfs/dbraw/zinc/55/21/01/357552101.db2.gz AJYPQVAAUBXQNU-LBPRGKRZSA-N 1 2 238.331 0.908 20 0 BCADLO CCc1cc(NCCc2nc(N)no2)nc(C)[nH+]1 ZINC000359738262 538858996 /nfs/dbraw/zinc/85/89/96/538858996.db2.gz WGPLWFVXOUWSKY-UHFFFAOYSA-N 1 2 248.290 0.219 20 0 BCADLO Cc1oncc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189314137 357630749 /nfs/dbraw/zinc/63/07/49/357630749.db2.gz WTGFTNNUFVJPOY-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1oncc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189314137 357630752 /nfs/dbraw/zinc/63/07/52/357630752.db2.gz WTGFTNNUFVJPOY-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(NCCS(=O)(=O)N(C)C)nc[nH+]1 ZINC000231011530 357596007 /nfs/dbraw/zinc/59/60/07/357596007.db2.gz APJWSAIHSYBPPD-UHFFFAOYSA-N 1 2 244.320 0.088 20 0 BCADLO C[C@H]1OCC[C@@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000583228717 357646411 /nfs/dbraw/zinc/64/64/11/357646411.db2.gz OZVFYOPYUQCSLF-MWLCHTKSSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000189932326 357676423 /nfs/dbraw/zinc/67/64/23/357676423.db2.gz WCNXFOPSJQQGRR-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000189932326 357676425 /nfs/dbraw/zinc/67/64/25/357676425.db2.gz WCNXFOPSJQQGRR-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO Cc1nnc(C[N@H+](CC(C)(C)O)C2CC2)n1C ZINC000189927270 357676601 /nfs/dbraw/zinc/67/66/01/357676601.db2.gz FKSQJKKVTIUABU-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO Cc1nnc(C[N@@H+](CC(C)(C)O)C2CC2)n1C ZINC000189927270 357676605 /nfs/dbraw/zinc/67/66/05/357676605.db2.gz FKSQJKKVTIUABU-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CN1C(=O)C[C@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000583243770 357692416 /nfs/dbraw/zinc/69/24/16/357692416.db2.gz KFWUVMSUZIKHFY-KWQFWETISA-N 1 2 228.267 0.568 20 0 BCADLO CN1C(=O)C[C@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000583243770 357692422 /nfs/dbraw/zinc/69/24/22/357692422.db2.gz KFWUVMSUZIKHFY-KWQFWETISA-N 1 2 228.267 0.568 20 0 BCADLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC1=O ZINC000190210249 357693164 /nfs/dbraw/zinc/69/31/64/357693164.db2.gz PBIMKPHSICUUFX-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CCC[N@H+]([C@H](C)C(=O)N(C)C)CC1=O ZINC000190210249 357693166 /nfs/dbraw/zinc/69/31/66/357693166.db2.gz PBIMKPHSICUUFX-SNVBAGLBSA-N 1 2 241.335 0.017 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCCN(C)C(=O)C1 ZINC000191095910 357749661 /nfs/dbraw/zinc/74/96/61/357749661.db2.gz ZLPRLAWNVCAODC-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191095910 357749667 /nfs/dbraw/zinc/74/96/67/357749667.db2.gz ZLPRLAWNVCAODC-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cn1c[nH+]cc1CN1CCCN(C)C(=O)C1 ZINC000191152396 357755176 /nfs/dbraw/zinc/75/51/76/357755176.db2.gz QRZACRMAHVBKRB-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@@H]1C[N@H+](CCN2C[C@H](C)OC[C@@H]2C)CCO1 ZINC000191400110 357768276 /nfs/dbraw/zinc/76/82/76/357768276.db2.gz CHFMMCUOTACPQX-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2C[C@H](C)OC[C@@H]2C)CCO1 ZINC000191400110 357768278 /nfs/dbraw/zinc/76/82/78/357768278.db2.gz CHFMMCUOTACPQX-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO O=C1NCCCC[C@H]1[NH2+]Cc1ccon1 ZINC000086453752 491115141 /nfs/dbraw/zinc/11/51/41/491115141.db2.gz UXVLJXZDZXZCFB-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](O)C1 ZINC000191995402 357819621 /nfs/dbraw/zinc/81/96/21/357819621.db2.gz KXZGZDQZBDEIQV-IONNQARKSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](O)C1 ZINC000191995402 357819625 /nfs/dbraw/zinc/81/96/25/357819625.db2.gz KXZGZDQZBDEIQV-IONNQARKSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](O)C1 ZINC000191995260 357820000 /nfs/dbraw/zinc/82/00/00/357820000.db2.gz KXZGZDQZBDEIQV-CBAPKCEASA-N 1 2 223.280 0.136 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](O)C1 ZINC000191995260 357820003 /nfs/dbraw/zinc/82/00/03/357820003.db2.gz KXZGZDQZBDEIQV-CBAPKCEASA-N 1 2 223.280 0.136 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)OCC1CC1 ZINC000192902738 357852424 /nfs/dbraw/zinc/85/24/24/357852424.db2.gz FTIZYMQZRGZMIC-LLVKDONJSA-N 1 2 239.319 0.122 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000234799267 357829075 /nfs/dbraw/zinc/82/90/75/357829075.db2.gz DRMAZIDGKFQBOF-LURJTMIESA-N 1 2 236.724 0.893 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000583281855 357829561 /nfs/dbraw/zinc/82/95/61/357829561.db2.gz BDRHYZXPMNIOKI-GFCCVEGCSA-N 1 2 237.303 0.336 20 0 BCADLO COc1ncccc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000193303081 357873428 /nfs/dbraw/zinc/87/34/28/357873428.db2.gz KMBKDVWUZDMBCD-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1ncccc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000193303081 357873429 /nfs/dbraw/zinc/87/34/29/357873429.db2.gz KMBKDVWUZDMBCD-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000193312328 357875417 /nfs/dbraw/zinc/87/54/17/357875417.db2.gz JLGNRPQOVPDIHM-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000193312328 357875421 /nfs/dbraw/zinc/87/54/21/357875421.db2.gz JLGNRPQOVPDIHM-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)C[C@H]1CCOC1 ZINC000398988506 357892452 /nfs/dbraw/zinc/89/24/52/357892452.db2.gz MXAOVKIZBUALCV-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)C[C@H]1CCOC1 ZINC000398988506 357892453 /nfs/dbraw/zinc/89/24/53/357892453.db2.gz MXAOVKIZBUALCV-MRVPVSSYSA-N 1 2 238.291 0.540 20 0 BCADLO CC(C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173835398 535374166 /nfs/dbraw/zinc/37/41/66/535374166.db2.gz CMZYOQRXTKPLTN-RYUDHWBXSA-N 1 2 240.347 0.822 20 0 BCADLO CC1(C)[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]2CCO[C@H]21 ZINC000583786275 357941774 /nfs/dbraw/zinc/94/17/74/357941774.db2.gz BEMVHGTUBLSMKK-YUSALJHKSA-N 1 2 249.314 0.813 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000610486660 357951799 /nfs/dbraw/zinc/95/17/99/357951799.db2.gz SCHHHBKLPBRSTJ-YNHOBRIKSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000610486660 357951802 /nfs/dbraw/zinc/95/18/02/357951802.db2.gz SCHHHBKLPBRSTJ-YNHOBRIKSA-N 1 2 244.360 0.108 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nc(C(C)C)no1 ZINC000639950301 357972735 /nfs/dbraw/zinc/97/27/35/357972735.db2.gz WGZUITWZIWYCED-LLVKDONJSA-N 1 2 243.307 0.680 20 0 BCADLO COC[C@](C)(CO)[NH2+]Cc1ncc(C)cn1 ZINC000639956326 357978713 /nfs/dbraw/zinc/97/87/13/357978713.db2.gz CLURVQBUEJUJKH-NSHDSACASA-N 1 2 225.292 0.272 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nn(C)cc1Cl ZINC000639958933 357983801 /nfs/dbraw/zinc/98/38/01/357983801.db2.gz XVQZINOETBBHAF-SNVBAGLBSA-N 1 2 247.726 0.561 20 0 BCADLO Cn1cccc1CNC(=O)Cc1c[nH+]cn1C ZINC000584488340 357998912 /nfs/dbraw/zinc/99/89/12/357998912.db2.gz LDOUACMRYXVYBS-UHFFFAOYSA-N 1 2 232.287 0.618 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000584478384 357996198 /nfs/dbraw/zinc/99/61/98/357996198.db2.gz QWNRNWSYHPPGKZ-NXEZZACHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000584478384 357996201 /nfs/dbraw/zinc/99/62/01/357996201.db2.gz QWNRNWSYHPPGKZ-NXEZZACHSA-N 1 2 239.319 0.818 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)COC(C)C ZINC000639966848 358021065 /nfs/dbraw/zinc/02/10/65/358021065.db2.gz GWVVKLZODMKPFI-LBPRGKRZSA-N 1 2 241.335 0.936 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)COC(C)C ZINC000639966848 358021066 /nfs/dbraw/zinc/02/10/66/358021066.db2.gz GWVVKLZODMKPFI-LBPRGKRZSA-N 1 2 241.335 0.936 20 0 BCADLO CCn1nncc1C[N@H+](C)Cc1c[nH]nc1C ZINC000639970160 358022753 /nfs/dbraw/zinc/02/27/53/358022753.db2.gz CZPIEXKDQVAHHZ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO CCn1nncc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000639970160 358022756 /nfs/dbraw/zinc/02/27/56/358022756.db2.gz CZPIEXKDQVAHHZ-UHFFFAOYSA-N 1 2 234.307 0.962 20 0 BCADLO CO[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000055542333 363594982 /nfs/dbraw/zinc/59/49/82/363594982.db2.gz QUSBHCJWYLUKOU-SECBINFHSA-N 1 2 233.271 0.985 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1ncc(C)o1 ZINC000584527934 358041338 /nfs/dbraw/zinc/04/13/38/358041338.db2.gz PUSNSTLPHFWEHH-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1ncc(C)o1 ZINC000584527934 358041341 /nfs/dbraw/zinc/04/13/41/358041341.db2.gz PUSNSTLPHFWEHH-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCN1CN(c2nc(C)[nH+]cc2C)CC1=O ZINC000584540343 358049132 /nfs/dbraw/zinc/04/91/32/358049132.db2.gz VSQROPLORHQOQO-UHFFFAOYSA-N 1 2 220.276 0.719 20 0 BCADLO CCN1C[C@H](NCc2[nH]c(C)c(C)[nH+]2)CC1=O ZINC000584540896 358049200 /nfs/dbraw/zinc/04/92/00/358049200.db2.gz OTUWCQANILHPFE-SNVBAGLBSA-N 1 2 236.319 0.737 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)[nH]2)[C@](C)(CO)C1 ZINC000640004880 358051583 /nfs/dbraw/zinc/05/15/83/358051583.db2.gz OPVQQJUSBUYSBF-KOLCDFICSA-N 1 2 240.307 0.085 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)[C@](C)(CO)C1 ZINC000640004880 358051585 /nfs/dbraw/zinc/05/15/85/358051585.db2.gz OPVQQJUSBUYSBF-KOLCDFICSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCN1CCOCC1 ZINC000036901522 358055446 /nfs/dbraw/zinc/05/54/46/358055446.db2.gz CZGDDCOHZHXUSN-UHFFFAOYSA-N 1 2 224.308 0.140 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617805184 358066848 /nfs/dbraw/zinc/06/68/48/358066848.db2.gz QTKJSYKIPYYTOK-MRVPVSSYSA-N 1 2 245.229 0.112 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000037688751 358091721 /nfs/dbraw/zinc/09/17/21/358091721.db2.gz HWUHJOSEFWGKRY-RKDXNWHRSA-N 1 2 203.282 0.545 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051887781 358089868 /nfs/dbraw/zinc/08/98/68/358089868.db2.gz PGUJDLSFIWJSRV-MRVPVSSYSA-N 1 2 211.265 0.446 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051887781 358089874 /nfs/dbraw/zinc/08/98/74/358089874.db2.gz PGUJDLSFIWJSRV-MRVPVSSYSA-N 1 2 211.265 0.446 20 0 BCADLO COCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861125 134254267 /nfs/dbraw/zinc/25/42/67/134254267.db2.gz CLJDSFWMORLMDT-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO COCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861125 134254268 /nfs/dbraw/zinc/25/42/68/134254268.db2.gz CLJDSFWMORLMDT-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO C[NH2+]Cc1noc(C(C)(C)n2cccn2)n1 ZINC000583883125 358119344 /nfs/dbraw/zinc/11/93/44/358119344.db2.gz GLXPJOKIQCXRAU-UHFFFAOYSA-N 1 2 221.264 0.769 20 0 BCADLO CC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[C@H](C)O ZINC000584664386 358123105 /nfs/dbraw/zinc/12/31/05/358123105.db2.gz DPMPNXRJSQLAGZ-VGMNWLOBSA-N 1 2 225.292 0.994 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC2)C1 ZINC000170920700 134255516 /nfs/dbraw/zinc/25/55/16/134255516.db2.gz FZOCRHDMIWRQNT-JTQLQIEISA-N 1 2 227.308 0.026 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC2)C1 ZINC000170920700 134255517 /nfs/dbraw/zinc/25/55/17/134255517.db2.gz FZOCRHDMIWRQNT-JTQLQIEISA-N 1 2 227.308 0.026 20 0 BCADLO CCOC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000610769518 358148980 /nfs/dbraw/zinc/14/89/80/358148980.db2.gz IZFDVYMCZHWEEI-MRVPVSSYSA-N 1 2 211.265 0.793 20 0 BCADLO CC1(F)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000640071427 358162192 /nfs/dbraw/zinc/16/21/92/358162192.db2.gz MNGLCVMSYMJCPS-UHFFFAOYSA-N 1 2 214.244 0.834 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)NC(=O)Cn1cc[nH+]c1 ZINC000584813741 358184372 /nfs/dbraw/zinc/18/43/72/358184372.db2.gz GWHCHKHPLIXHAK-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO C[C@@H](CC(=O)N(C)c1nnnn1C)n1cc[nH+]c1 ZINC000584842681 358200479 /nfs/dbraw/zinc/20/04/79/358200479.db2.gz CXNJFAHBPIOANT-QMMMGPOBSA-N 1 2 249.278 0.021 20 0 BCADLO C(C[NH+]1CCOCC1)N1CCCCCO1 ZINC000640123645 358203317 /nfs/dbraw/zinc/20/33/17/358203317.db2.gz XYGFDMPCPGPURV-UHFFFAOYSA-N 1 2 214.309 0.736 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659203 358218627 /nfs/dbraw/zinc/21/86/27/358218627.db2.gz CBDXYCCDCOBFNQ-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659203 358218628 /nfs/dbraw/zinc/21/86/28/358218628.db2.gz CBDXYCCDCOBFNQ-UHFFFAOYSA-N 1 2 229.324 0.051 20 0 BCADLO COc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000171859257 134261175 /nfs/dbraw/zinc/26/11/75/134261175.db2.gz GPERMHLSPHXUFO-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO COc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000171859257 134261176 /nfs/dbraw/zinc/26/11/76/134261176.db2.gz GPERMHLSPHXUFO-SNVBAGLBSA-N 1 2 235.287 0.540 20 0 BCADLO CCn1cc[nH+]c1CN=c1ncnc2[nH][nH]cc1-2 ZINC000450676905 202232245 /nfs/dbraw/zinc/23/22/45/202232245.db2.gz GAAOZZXMBLNIDJ-UHFFFAOYSA-N 1 2 243.274 0.555 20 0 BCADLO COC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000172238299 134264591 /nfs/dbraw/zinc/26/45/91/134264591.db2.gz WBVSGKQIWNIXGT-JTQLQIEISA-N 1 2 245.319 0.459 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000172574128 134268121 /nfs/dbraw/zinc/26/81/21/134268121.db2.gz RJRGCSLREZGQGQ-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000172574128 134268122 /nfs/dbraw/zinc/26/81/22/134268122.db2.gz RJRGCSLREZGQGQ-JTQLQIEISA-N 1 2 241.335 0.017 20 0 BCADLO CCN1CC[N@H+](CC2(C(=O)OC)CC2)CC1=O ZINC000450743673 202253043 /nfs/dbraw/zinc/25/30/43/202253043.db2.gz IPXIXKIZTFIFOX-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO CCN1CC[N@@H+](CC2(C(=O)OC)CC2)CC1=O ZINC000450743673 202253047 /nfs/dbraw/zinc/25/30/47/202253047.db2.gz IPXIXKIZTFIFOX-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cnn(C)c1C ZINC000226344897 358337710 /nfs/dbraw/zinc/33/77/10/358337710.db2.gz DXOPFUOLTVPJTH-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cnn(C)c1C ZINC000226344897 358337714 /nfs/dbraw/zinc/33/77/14/358337714.db2.gz DXOPFUOLTVPJTH-UHFFFAOYSA-N 1 2 248.290 0.721 20 0 BCADLO COc1c(N)[nH+]cnc1NCCc1ccn(C)n1 ZINC000227257252 358353334 /nfs/dbraw/zinc/35/33/34/358353334.db2.gz OKLGLYXBVKFQBL-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO COc1c(N)nc[nH+]c1NCCc1ccn(C)n1 ZINC000227257252 358353340 /nfs/dbraw/zinc/35/33/40/358353340.db2.gz OKLGLYXBVKFQBL-UHFFFAOYSA-N 1 2 248.290 0.456 20 0 BCADLO C[C@@H]1CN(C(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173962009 134277032 /nfs/dbraw/zinc/27/70/32/134277032.db2.gz BWJNJQIRXDXLKO-MNOVXSKESA-N 1 2 241.335 0.321 20 0 BCADLO c1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)no1 ZINC000173942344 134277050 /nfs/dbraw/zinc/27/70/50/134277050.db2.gz JALURBROQNWMOH-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173975431 134277077 /nfs/dbraw/zinc/27/70/77/134277077.db2.gz LMSKDJPTOMINEB-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO COC(=O)C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000219364137 134281236 /nfs/dbraw/zinc/28/12/36/134281236.db2.gz IWSXZAVGKYEGFB-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO OC1C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000074207893 358425158 /nfs/dbraw/zinc/42/51/58/358425158.db2.gz MGTYGLQYUSKPBH-UHFFFAOYSA-N 1 2 203.245 0.739 20 0 BCADLO OC1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000074207893 358425160 /nfs/dbraw/zinc/42/51/60/358425160.db2.gz MGTYGLQYUSKPBH-UHFFFAOYSA-N 1 2 203.245 0.739 20 0 BCADLO COC(=O)C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000219364137 134281235 /nfs/dbraw/zinc/28/12/35/134281235.db2.gz IWSXZAVGKYEGFB-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO C[N@H+](CCc1ccncc1)Cc1nnc[nH]1 ZINC000174812227 134283760 /nfs/dbraw/zinc/28/37/60/134283760.db2.gz JNSXOXRUWUENHP-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1nnc[nH]1 ZINC000174812227 134283761 /nfs/dbraw/zinc/28/37/61/134283761.db2.gz JNSXOXRUWUENHP-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO CC(C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174497200 134281902 /nfs/dbraw/zinc/28/19/02/134281902.db2.gz YASXPCKFLQRBMD-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000174562463 134282596 /nfs/dbraw/zinc/28/25/96/134282596.db2.gz RREDAGQFACFDKR-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000174562463 134282597 /nfs/dbraw/zinc/28/25/97/134282597.db2.gz RREDAGQFACFDKR-GFCCVEGCSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000129857751 358599752 /nfs/dbraw/zinc/59/97/52/358599752.db2.gz OCALQJXFOGJQOO-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOCCO ZINC000129857751 358599753 /nfs/dbraw/zinc/59/97/53/358599753.db2.gz OCALQJXFOGJQOO-JTQLQIEISA-N 1 2 233.308 0.267 20 0 BCADLO O=C(NCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130720884 358642682 /nfs/dbraw/zinc/64/26/82/358642682.db2.gz CSRIFUJYINPLNI-JTQLQIEISA-N 1 2 219.288 0.972 20 0 BCADLO O=C(NCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130721091 358642692 /nfs/dbraw/zinc/64/26/92/358642692.db2.gz CSRIFUJYINPLNI-SNVBAGLBSA-N 1 2 219.288 0.972 20 0 BCADLO CCCCNC(=O)C[N@H+](CCCC)CC(N)=O ZINC000048047909 358613320 /nfs/dbraw/zinc/61/33/20/358613320.db2.gz RIVSCRCSMONTHU-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO CCCCNC(=O)C[N@@H+](CCCC)CC(N)=O ZINC000048047909 358613323 /nfs/dbraw/zinc/61/33/23/358613323.db2.gz RIVSCRCSMONTHU-UHFFFAOYSA-N 1 2 243.351 0.490 20 0 BCADLO O=C(NCC(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000640193268 358613412 /nfs/dbraw/zinc/61/34/12/358613412.db2.gz LBJHCKRMDQKEQM-ZCFIWIBFSA-N 1 2 230.218 0.372 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000131877959 358698643 /nfs/dbraw/zinc/69/86/43/358698643.db2.gz NZDYKUISKBNRAW-CQSZACIVSA-N 1 2 248.326 0.980 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000131877959 358698648 /nfs/dbraw/zinc/69/86/48/358698648.db2.gz NZDYKUISKBNRAW-CQSZACIVSA-N 1 2 248.326 0.980 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000050048236 358710578 /nfs/dbraw/zinc/71/05/78/358710578.db2.gz VDWWLLVTGZZXQE-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)C(C)C ZINC000050048236 358710582 /nfs/dbraw/zinc/71/05/82/358710582.db2.gz VDWWLLVTGZZXQE-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000050048503 358710610 /nfs/dbraw/zinc/71/06/10/358710610.db2.gz JOFMTULFMBAKOB-JTQLQIEISA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000050048503 358710614 /nfs/dbraw/zinc/71/06/14/358710614.db2.gz JOFMTULFMBAKOB-JTQLQIEISA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000050419565 358730161 /nfs/dbraw/zinc/73/01/61/358730161.db2.gz ROPFFQPOCJMTEE-IUCAKERBSA-N 1 2 239.323 0.380 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000628474246 358785522 /nfs/dbraw/zinc/78/55/22/358785522.db2.gz PIWZAZHNVPAKAT-SNVBAGLBSA-N 1 2 224.260 0.356 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000628474246 358785525 /nfs/dbraw/zinc/78/55/25/358785525.db2.gz PIWZAZHNVPAKAT-SNVBAGLBSA-N 1 2 224.260 0.356 20 0 BCADLO Nc1cc(Cn2nc3ccccn3c2=O)cc[nH+]1 ZINC000052732645 358791603 /nfs/dbraw/zinc/79/16/03/358791603.db2.gz QBKUFYDGNTUCPJ-UHFFFAOYSA-N 1 2 241.254 0.522 20 0 BCADLO CCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000134523723 358794101 /nfs/dbraw/zinc/79/41/01/358794101.db2.gz UQKSWNPRNYUTNB-NSHDSACASA-N 1 2 242.367 0.332 20 0 BCADLO CCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000134523723 358794104 /nfs/dbraw/zinc/79/41/04/358794104.db2.gz UQKSWNPRNYUTNB-NSHDSACASA-N 1 2 242.367 0.332 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H](O)C1CC1 ZINC000613670499 363618354 /nfs/dbraw/zinc/61/83/54/363618354.db2.gz SNKOGEHPZHVJJU-KOLCDFICSA-N 1 2 235.287 0.085 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341358 358859543 /nfs/dbraw/zinc/85/95/43/358859543.db2.gz ZCHRBELWSPMWCT-SECBINFHSA-N 1 2 239.275 0.730 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341358 358859545 /nfs/dbraw/zinc/85/95/45/358859545.db2.gz ZCHRBELWSPMWCT-SECBINFHSA-N 1 2 239.275 0.730 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000177108418 134295855 /nfs/dbraw/zinc/29/58/55/134295855.db2.gz YGOSDQRKDMVXPC-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000177108418 134295856 /nfs/dbraw/zinc/29/58/56/134295856.db2.gz YGOSDQRKDMVXPC-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO Cn1cccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474437 358875750 /nfs/dbraw/zinc/87/57/50/358875750.db2.gz AOJHQZKJXMBEIZ-LLVKDONJSA-N 1 2 237.303 0.101 20 0 BCADLO Cn1cccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474437 358875753 /nfs/dbraw/zinc/87/57/53/358875753.db2.gz AOJHQZKJXMBEIZ-LLVKDONJSA-N 1 2 237.303 0.101 20 0 BCADLO Cn1c[nH+]cc1C[NH2+]C1(C(=O)[O-])CCCC1 ZINC000309596845 358883488 /nfs/dbraw/zinc/88/34/88/358883488.db2.gz IPNBIIXJYJPCLO-UHFFFAOYSA-N 1 2 223.276 0.907 20 0 BCADLO CC[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC000180540455 366500212 /nfs/dbraw/zinc/50/02/12/366500212.db2.gz DCVBTNBUHWECBA-STQMWFEESA-N 1 2 242.363 0.818 20 0 BCADLO CSC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578316274 366500419 /nfs/dbraw/zinc/50/04/19/366500419.db2.gz USRIFDCRVHBVPA-MRVPVSSYSA-N 1 2 201.295 0.223 20 0 BCADLO CC[C@@H](NC(=O)CCn1ccnn1)c1[nH]cc[nH+]1 ZINC000140684833 358924752 /nfs/dbraw/zinc/92/47/52/358924752.db2.gz ZFDFDUWSDJBJQG-SECBINFHSA-N 1 2 248.290 0.659 20 0 BCADLO CC[C@H](NC(=O)CCn1ccnn1)c1[nH]cc[nH+]1 ZINC000140684646 358925286 /nfs/dbraw/zinc/92/52/86/358925286.db2.gz ZFDFDUWSDJBJQG-VIFPVBQESA-N 1 2 248.290 0.659 20 0 BCADLO Cc1occc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475255 358947751 /nfs/dbraw/zinc/94/77/51/358947751.db2.gz LOBSGPOSXMIRRO-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO Cc1occc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475255 358947756 /nfs/dbraw/zinc/94/77/56/358947756.db2.gz LOBSGPOSXMIRRO-NSHDSACASA-N 1 2 238.287 0.664 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCn1cccn1 ZINC000070980407 359068960 /nfs/dbraw/zinc/06/89/60/359068960.db2.gz YUSHPCLZZVEYBX-UHFFFAOYSA-N 1 2 233.275 0.655 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(C)(C)O ZINC000611207836 359114637 /nfs/dbraw/zinc/11/46/37/359114637.db2.gz BEKKHFFMUSJASI-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(C)(C)O ZINC000611207836 359114643 /nfs/dbraw/zinc/11/46/43/359114643.db2.gz BEKKHFFMUSJASI-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO C[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000075587764 359178694 /nfs/dbraw/zinc/17/86/94/359178694.db2.gz QPXJSSKIBMMPCE-GFCCVEGCSA-N 1 2 228.336 0.429 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000247020971 359185299 /nfs/dbraw/zinc/18/52/99/359185299.db2.gz UOBQZZYRBJDCDL-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000247020971 359185302 /nfs/dbraw/zinc/18/53/02/359185302.db2.gz UOBQZZYRBJDCDL-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCSC ZINC000611210218 359142553 /nfs/dbraw/zinc/14/25/53/359142553.db2.gz VHSJMGKYVOJEGK-SECBINFHSA-N 1 2 235.349 0.859 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCSC ZINC000611210218 359142556 /nfs/dbraw/zinc/14/25/56/359142556.db2.gz VHSJMGKYVOJEGK-SECBINFHSA-N 1 2 235.349 0.859 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCCO1 ZINC000246692609 359157933 /nfs/dbraw/zinc/15/79/33/359157933.db2.gz XAJMDMZHHTWRBV-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCCO1 ZINC000246692609 359157936 /nfs/dbraw/zinc/15/79/36/359157936.db2.gz XAJMDMZHHTWRBV-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCCCO1 ZINC000246692590 359157943 /nfs/dbraw/zinc/15/79/43/359157943.db2.gz XAJMDMZHHTWRBV-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCCCO1 ZINC000246692590 359157946 /nfs/dbraw/zinc/15/79/46/359157946.db2.gz XAJMDMZHHTWRBV-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000247988969 359251057 /nfs/dbraw/zinc/25/10/57/359251057.db2.gz LBJUGWINCJFCFQ-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@@H](C)CO1 ZINC000247988969 359251059 /nfs/dbraw/zinc/25/10/59/359251059.db2.gz LBJUGWINCJFCFQ-DTWKUNHWSA-N 1 2 200.282 0.184 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000247482951 359224226 /nfs/dbraw/zinc/22/42/26/359224226.db2.gz FVIKJDCFZDVFPR-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000247482951 359224229 /nfs/dbraw/zinc/22/42/29/359224229.db2.gz FVIKJDCFZDVFPR-ZJUUUORDSA-N 1 2 214.309 0.574 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613837422 363660717 /nfs/dbraw/zinc/66/07/17/363660717.db2.gz GYRBFSXLKSEUSL-IVZWLZJFSA-N 1 2 237.303 0.675 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501965 359384785 /nfs/dbraw/zinc/38/47/85/359384785.db2.gz LEPHFHKVYHEUBE-XHNCKOQMSA-N 1 2 245.298 0.510 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501965 359384790 /nfs/dbraw/zinc/38/47/90/359384790.db2.gz LEPHFHKVYHEUBE-XHNCKOQMSA-N 1 2 245.298 0.510 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501893 359385404 /nfs/dbraw/zinc/38/54/04/359385404.db2.gz KBULSTWYFVADPR-YUMQZZPRSA-N 1 2 231.271 0.122 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501893 359385407 /nfs/dbraw/zinc/38/54/07/359385407.db2.gz KBULSTWYFVADPR-YUMQZZPRSA-N 1 2 231.271 0.122 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1nccnc1C ZINC000611794180 359452449 /nfs/dbraw/zinc/45/24/49/359452449.db2.gz HDADKGPPHGLVAA-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO O=C1CCC[C@H](C[NH2+]Cc2ccn[nH]2)N1 ZINC000308946611 491140872 /nfs/dbraw/zinc/14/08/72/491140872.db2.gz SKHIPJAPCROQQZ-MRVPVSSYSA-N 1 2 208.265 0.168 20 0 BCADLO CN(CC(F)F)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000580421927 359537187 /nfs/dbraw/zinc/53/71/87/359537187.db2.gz JQODBGSKIJGQSV-ZETCQYMHSA-N 1 2 235.259 0.866 20 0 BCADLO COC(=O)c1cc(C)nc(-n2cc[nH+]c2)n1 ZINC000580462794 359569017 /nfs/dbraw/zinc/56/90/17/359569017.db2.gz RQHYGTNFUZZJOO-UHFFFAOYSA-N 1 2 218.216 0.757 20 0 BCADLO C[NH+]1CCN(c2ccc3c(n2)CCC3=O)CC1 ZINC000580474340 359572866 /nfs/dbraw/zinc/57/28/66/359572866.db2.gz VVIJNUROBFXAGF-UHFFFAOYSA-N 1 2 231.299 0.962 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063973 359629085 /nfs/dbraw/zinc/62/90/85/359629085.db2.gz OOLLYVKJSABNHD-SECBINFHSA-N 1 2 248.286 0.004 20 0 BCADLO O=C([C@H]1CC(=O)N1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063973 359629092 /nfs/dbraw/zinc/62/90/92/359629092.db2.gz OOLLYVKJSABNHD-SECBINFHSA-N 1 2 248.286 0.004 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000450791182 202267659 /nfs/dbraw/zinc/26/76/59/202267659.db2.gz MBLCJZNXQGAVJF-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000450791182 202267661 /nfs/dbraw/zinc/26/76/61/202267661.db2.gz MBLCJZNXQGAVJF-JTQLQIEISA-N 1 2 226.320 0.908 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@@H]2C1 ZINC000628507542 359795989 /nfs/dbraw/zinc/79/59/89/359795989.db2.gz DIPBTMFUYNBPAR-MXWKQRLJSA-N 1 2 231.299 0.924 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612352014 359806145 /nfs/dbraw/zinc/80/61/45/359806145.db2.gz YAFVFJSSOHANCG-CABZTGNLSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612352014 359806150 /nfs/dbraw/zinc/80/61/50/359806150.db2.gz YAFVFJSSOHANCG-CABZTGNLSA-N 1 2 249.314 0.402 20 0 BCADLO CC[C@@H](O)CCCNC(=O)CCn1cc[nH+]c1 ZINC000352384044 366556354 /nfs/dbraw/zinc/55/63/54/366556354.db2.gz WINQXVFUXGRXKV-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO Cc1nnsc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000578512119 366584056 /nfs/dbraw/zinc/58/40/56/366584056.db2.gz PDWDROOGKCNMSK-QMMMGPOBSA-N 1 2 240.332 0.686 20 0 BCADLO Cc1nnsc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000578512119 366584059 /nfs/dbraw/zinc/58/40/59/366584059.db2.gz PDWDROOGKCNMSK-QMMMGPOBSA-N 1 2 240.332 0.686 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1(CO)CC1 ZINC000617899034 359827782 /nfs/dbraw/zinc/82/77/82/359827782.db2.gz OBEQTEJHQIBLCX-VIFPVBQESA-N 1 2 237.303 0.538 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C1(CO)CC1 ZINC000617899034 359827786 /nfs/dbraw/zinc/82/77/86/359827786.db2.gz OBEQTEJHQIBLCX-VIFPVBQESA-N 1 2 237.303 0.538 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC[C@@H]1CCCO1 ZINC000451180382 202370911 /nfs/dbraw/zinc/37/09/11/202370911.db2.gz CUMKGARCBSQGIU-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC[C@@H]1CCCO1 ZINC000451180382 202370913 /nfs/dbraw/zinc/37/09/13/202370913.db2.gz CUMKGARCBSQGIU-ZJUUUORDSA-N 1 2 230.283 0.325 20 0 BCADLO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451182038 202369395 /nfs/dbraw/zinc/36/93/95/202369395.db2.gz GLEVHIZSZDNYNG-SECBINFHSA-N 1 2 245.298 0.656 20 0 BCADLO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451182038 202369397 /nfs/dbraw/zinc/36/93/97/202369397.db2.gz GLEVHIZSZDNYNG-SECBINFHSA-N 1 2 245.298 0.656 20 0 BCADLO CC(C)[N@H+](CC(=O)N(C)C1CC1)C1COC1 ZINC000451122547 202359677 /nfs/dbraw/zinc/35/96/77/202359677.db2.gz ZDBIXTVDKKHTCL-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)[N@@H+](CC(=O)N(C)C1CC1)C1COC1 ZINC000451122547 202359679 /nfs/dbraw/zinc/35/96/79/202359679.db2.gz ZDBIXTVDKKHTCL-UHFFFAOYSA-N 1 2 226.320 0.716 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451125014 202360496 /nfs/dbraw/zinc/36/04/96/202360496.db2.gz IBEVDPJERKXSNX-UHFFFAOYSA-N 1 2 238.331 0.718 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451125014 202360498 /nfs/dbraw/zinc/36/04/98/202360498.db2.gz IBEVDPJERKXSNX-UHFFFAOYSA-N 1 2 238.331 0.718 20 0 BCADLO COc1ncccc1C[N@H+](C)C(C)(C)C(N)=O ZINC000451135228 202363419 /nfs/dbraw/zinc/36/34/19/202363419.db2.gz LRATVZGIZBNEAL-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ncccc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000451135228 202363421 /nfs/dbraw/zinc/36/34/21/202363421.db2.gz LRATVZGIZBNEAL-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451191474 202376449 /nfs/dbraw/zinc/37/64/49/202376449.db2.gz RNAWHQKEZZYFHT-SECBINFHSA-N 1 2 202.273 0.802 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451191474 202376450 /nfs/dbraw/zinc/37/64/50/202376450.db2.gz RNAWHQKEZZYFHT-SECBINFHSA-N 1 2 202.273 0.802 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451196835 202377347 /nfs/dbraw/zinc/37/73/47/202377347.db2.gz ZVDFFPSUCUNJHA-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451196835 202377350 /nfs/dbraw/zinc/37/73/50/202377350.db2.gz ZVDFFPSUCUNJHA-UWVGGRQHSA-N 1 2 232.299 0.571 20 0 BCADLO O=C(NCCCF)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612576813 359889400 /nfs/dbraw/zinc/88/94/00/359889400.db2.gz SSXQDMNKGQBUND-MRVPVSSYSA-N 1 2 225.267 0.990 20 0 BCADLO O=C(NCCCF)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612576813 359889403 /nfs/dbraw/zinc/88/94/03/359889403.db2.gz SSXQDMNKGQBUND-MRVPVSSYSA-N 1 2 225.267 0.990 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCOC[C@H](O)C1 ZINC000451237860 202382880 /nfs/dbraw/zinc/38/28/80/202382880.db2.gz XAXAVXQTYHVSAJ-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCOC[C@H](O)C1 ZINC000451237860 202382884 /nfs/dbraw/zinc/38/28/84/202382884.db2.gz XAXAVXQTYHVSAJ-GHMZBOCLSA-N 1 2 245.319 0.267 20 0 BCADLO CSC[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000087084075 359895782 /nfs/dbraw/zinc/89/57/82/359895782.db2.gz IXTPRWKZSNHOFR-JTQLQIEISA-N 1 2 246.376 0.122 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](O)C1CC1 ZINC000612583184 359896093 /nfs/dbraw/zinc/89/60/93/359896093.db2.gz XFJWAUDTIPUQAT-LLVKDONJSA-N 1 2 237.303 0.503 20 0 BCADLO CCN(CC[N@@H+]1CCO[C@H](C)C1)C1COC1 ZINC000451283342 202394585 /nfs/dbraw/zinc/39/45/85/202394585.db2.gz GBAKLGREPZJHSE-LLVKDONJSA-N 1 2 228.336 0.428 20 0 BCADLO CCCNC(=O)C[N@H+](CC)C1COC1 ZINC000451288892 202397006 /nfs/dbraw/zinc/39/70/06/202397006.db2.gz UOKOFHABJSPDLD-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)C[N@@H+](CC)C1COC1 ZINC000451288892 202397010 /nfs/dbraw/zinc/39/70/10/202397010.db2.gz UOKOFHABJSPDLD-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)o1 ZINC000578594062 366602841 /nfs/dbraw/zinc/60/28/41/366602841.db2.gz SZUKJCKVRXKKRD-UWVGGRQHSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)o1 ZINC000578594062 366602845 /nfs/dbraw/zinc/60/28/45/366602845.db2.gz SZUKJCKVRXKKRD-UWVGGRQHSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C)n(C)n1 ZINC000309173685 491145821 /nfs/dbraw/zinc/14/58/21/491145821.db2.gz LZSXREZYFCAJNY-UHFFFAOYSA-N 1 2 206.253 0.469 20 0 BCADLO COc1ncccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753674 359975668 /nfs/dbraw/zinc/97/56/68/359975668.db2.gz XMERVZNCGGACQJ-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COc1ncccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753674 359975671 /nfs/dbraw/zinc/97/56/71/359975671.db2.gz XMERVZNCGGACQJ-UHFFFAOYSA-N 1 2 232.243 0.743 20 0 BCADLO COC(=O)[C@@H](C1CC1)N(C)Cc1[nH+]ccn1C ZINC000088796508 359979612 /nfs/dbraw/zinc/97/96/12/359979612.db2.gz BYJGJVLYPOYROT-LLVKDONJSA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000088795950 359979706 /nfs/dbraw/zinc/97/97/06/359979706.db2.gz PAOMIMNDCKKAPO-NSHDSACASA-N 1 2 237.303 0.804 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000088795950 359979707 /nfs/dbraw/zinc/97/97/07/359979707.db2.gz PAOMIMNDCKKAPO-NSHDSACASA-N 1 2 237.303 0.804 20 0 BCADLO O=S(=O)(CCC1CC1)Nc1c[nH+]c[nH]1 ZINC000578944795 366678002 /nfs/dbraw/zinc/67/80/02/366678002.db2.gz WUMNEOPLYGNAMW-UHFFFAOYSA-N 1 2 215.278 0.952 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC(O)(C2CC2)C1 ZINC000089663917 360032803 /nfs/dbraw/zinc/03/28/03/360032803.db2.gz JCRFQTVORLUPQB-UHFFFAOYSA-N 1 2 235.287 0.257 20 0 BCADLO CCS(=O)(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000090168237 360060193 /nfs/dbraw/zinc/06/01/93/360060193.db2.gz CQMPQHAVRSWBSU-SECBINFHSA-N 1 2 243.332 0.446 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1(CO)CC1 ZINC000617899073 360075299 /nfs/dbraw/zinc/07/52/99/360075299.db2.gz PHMVBSIFBQREGI-SECBINFHSA-N 1 2 237.303 0.240 20 0 BCADLO COC(=O)c1cncc(NCc2[nH+]ccn2C)n1 ZINC000091417831 360114877 /nfs/dbraw/zinc/11/48/77/360114877.db2.gz WUIWRRWILDNMHD-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865420 360133082 /nfs/dbraw/zinc/13/30/82/360133082.db2.gz XGRQSUUUAYRQDP-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865420 360133083 /nfs/dbraw/zinc/13/30/83/360133083.db2.gz XGRQSUUUAYRQDP-GFCCVEGCSA-N 1 2 246.314 0.599 20 0 BCADLO CCC(=O)N1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000092187246 360156040 /nfs/dbraw/zinc/15/60/40/360156040.db2.gz DWIJVSPMQMNORY-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CCC(=O)N1CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000092187246 360156046 /nfs/dbraw/zinc/15/60/46/360156046.db2.gz DWIJVSPMQMNORY-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612920752 360181672 /nfs/dbraw/zinc/18/16/72/360181672.db2.gz KYAZNDXNRKJPGC-IUCAKERBSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612920752 360181676 /nfs/dbraw/zinc/18/16/76/360181676.db2.gz KYAZNDXNRKJPGC-IUCAKERBSA-N 1 2 237.303 0.354 20 0 BCADLO CSCC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092643071 360186102 /nfs/dbraw/zinc/18/61/02/360186102.db2.gz GZQBUKFHEBIKBT-ZETCQYMHSA-N 1 2 230.337 0.671 20 0 BCADLO CSCC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092643071 360186107 /nfs/dbraw/zinc/18/61/07/360186107.db2.gz GZQBUKFHEBIKBT-ZETCQYMHSA-N 1 2 230.337 0.671 20 0 BCADLO CCC[C@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000093508493 360253043 /nfs/dbraw/zinc/25/30/43/360253043.db2.gz NUGRORVMRPLPHD-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CCC[C@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000093508493 360253045 /nfs/dbraw/zinc/25/30/45/360253045.db2.gz NUGRORVMRPLPHD-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@]1(F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000551969483 325577273 /nfs/dbraw/zinc/57/72/73/325577273.db2.gz HBKSCXBVLHTDFE-SNVBAGLBSA-N 1 2 211.240 0.844 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000093083302 360215071 /nfs/dbraw/zinc/21/50/71/360215071.db2.gz IODSAUFPUWESCZ-NSHDSACASA-N 1 2 238.287 0.399 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000093083302 360215074 /nfs/dbraw/zinc/21/50/74/360215074.db2.gz IODSAUFPUWESCZ-NSHDSACASA-N 1 2 238.287 0.399 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1ccncc1 ZINC000093312290 360227973 /nfs/dbraw/zinc/22/79/73/360227973.db2.gz UGOAAWLEKNLJAT-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000093312290 360227977 /nfs/dbraw/zinc/22/79/77/360227977.db2.gz UGOAAWLEKNLJAT-UHFFFAOYSA-N 1 2 237.303 0.988 20 0 BCADLO c1cc(CN2CCN(Cc3c[nH+]c[nH]3)CC2)no1 ZINC000093560966 360257151 /nfs/dbraw/zinc/25/71/51/360257151.db2.gz ONHCNZNWMNEZPI-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccn1C ZINC000093385083 360236824 /nfs/dbraw/zinc/23/68/24/360236824.db2.gz SGRUTAHBEUBZGI-JTQLQIEISA-N 1 2 244.360 0.890 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccn1C ZINC000093385083 360236827 /nfs/dbraw/zinc/23/68/27/360236827.db2.gz SGRUTAHBEUBZGI-JTQLQIEISA-N 1 2 244.360 0.890 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccn1C ZINC000093385084 360236849 /nfs/dbraw/zinc/23/68/49/360236849.db2.gz SGRUTAHBEUBZGI-SNVBAGLBSA-N 1 2 244.360 0.890 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccn1C ZINC000093385084 360236854 /nfs/dbraw/zinc/23/68/54/360236854.db2.gz SGRUTAHBEUBZGI-SNVBAGLBSA-N 1 2 244.360 0.890 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H](O)C2CC2)C1 ZINC000613008875 360270983 /nfs/dbraw/zinc/27/09/83/360270983.db2.gz ODVAANOYKWKVFU-WDEREUQCSA-N 1 2 249.314 0.507 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H](O)C2CC2)C1 ZINC000613008874 360271179 /nfs/dbraw/zinc/27/11/79/360271179.db2.gz ODVAANOYKWKVFU-QWRGUYRKSA-N 1 2 249.314 0.507 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CO ZINC000613030270 360277624 /nfs/dbraw/zinc/27/76/24/360277624.db2.gz DNFBWLDNBLGEBG-ZJUUUORDSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CO ZINC000613030270 360277626 /nfs/dbraw/zinc/27/76/26/360277626.db2.gz DNFBWLDNBLGEBG-ZJUUUORDSA-N 1 2 249.314 0.498 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)CO ZINC000613021479 360288935 /nfs/dbraw/zinc/28/89/35/360288935.db2.gz PWLNPXCZHLKGGA-RKDXNWHRSA-N 1 2 237.303 0.411 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000613086286 360347919 /nfs/dbraw/zinc/34/79/19/360347919.db2.gz KLSTVQQNRWOIIL-MTBHXBHISA-N 1 2 220.228 0.040 20 0 BCADLO CC(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096641813 360351398 /nfs/dbraw/zinc/35/13/98/360351398.db2.gz TZAQFIINKODIGP-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785664 360354276 /nfs/dbraw/zinc/35/42/76/360354276.db2.gz VIHQXAJXEPFZNP-VIFPVBQESA-N 1 2 207.277 0.972 20 0 BCADLO NC(=O)c1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114124466 181302189 /nfs/dbraw/zinc/30/21/89/181302189.db2.gz UMYKKFLJHCMBOV-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CC1(F)F ZINC000628912269 360744818 /nfs/dbraw/zinc/74/48/18/360744818.db2.gz HEMSWIPTIJSEKI-PSASIEDQSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CC1(F)F ZINC000628912269 360744819 /nfs/dbraw/zinc/74/48/19/360744819.db2.gz HEMSWIPTIJSEKI-PSASIEDQSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C12CC(C1)C2 ZINC000628912831 360746661 /nfs/dbraw/zinc/74/66/61/360746661.db2.gz ZVQQGMPWWFNYLH-SQLBVSGCSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C12CC(C1)C2 ZINC000628912831 360746665 /nfs/dbraw/zinc/74/66/65/360746665.db2.gz ZVQQGMPWWFNYLH-SQLBVSGCSA-N 1 2 224.304 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCCO1 ZINC000628913307 360746732 /nfs/dbraw/zinc/74/67/32/360746732.db2.gz PGMITGNLSVWTOH-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCCO1 ZINC000628913307 360746735 /nfs/dbraw/zinc/74/67/35/360746735.db2.gz PGMITGNLSVWTOH-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000628914757 360748428 /nfs/dbraw/zinc/74/84/28/360748428.db2.gz PVQFOYSBRMYUML-UTUOFQBUSA-N 1 2 238.331 0.479 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000628914757 360748431 /nfs/dbraw/zinc/74/84/31/360748431.db2.gz PVQFOYSBRMYUML-UTUOFQBUSA-N 1 2 238.331 0.479 20 0 BCADLO COCC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917052 360748496 /nfs/dbraw/zinc/74/84/96/360748496.db2.gz IYBJYVXIBFLNIM-SNVBAGLBSA-N 1 2 244.335 0.106 20 0 BCADLO COCC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917052 360748502 /nfs/dbraw/zinc/74/85/02/360748502.db2.gz IYBJYVXIBFLNIM-SNVBAGLBSA-N 1 2 244.335 0.106 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC000628916868 360748538 /nfs/dbraw/zinc/74/85/38/360748538.db2.gz FYZYUVMONCNCOP-VIFPVBQESA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC000628916868 360748542 /nfs/dbraw/zinc/74/85/42/360748542.db2.gz FYZYUVMONCNCOP-VIFPVBQESA-N 1 2 248.273 0.479 20 0 BCADLO Cn1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628916728 360749147 /nfs/dbraw/zinc/74/91/47/360749147.db2.gz FQKBRXCXCOGBIU-NSHDSACASA-N 1 2 237.303 0.086 20 0 BCADLO Cn1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000628916728 360749149 /nfs/dbraw/zinc/74/91/49/360749149.db2.gz FQKBRXCXCOGBIU-NSHDSACASA-N 1 2 237.303 0.086 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914591 360749199 /nfs/dbraw/zinc/74/91/99/360749199.db2.gz KBWGFEJSZBGJMM-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914591 360749201 /nfs/dbraw/zinc/74/92/01/360749201.db2.gz KBWGFEJSZBGJMM-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915405 360749512 /nfs/dbraw/zinc/74/95/12/360749512.db2.gz RVBVCWDIJKRDPP-WOPDTQHZSA-N 1 2 240.347 0.725 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915405 360749516 /nfs/dbraw/zinc/74/95/16/360749516.db2.gz RVBVCWDIJKRDPP-WOPDTQHZSA-N 1 2 240.347 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000628915498 360749864 /nfs/dbraw/zinc/74/98/64/360749864.db2.gz WYVHECGEZUWKHR-YUMQZZPRSA-N 1 2 234.246 0.088 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000628915498 360749869 /nfs/dbraw/zinc/74/98/69/360749869.db2.gz WYVHECGEZUWKHR-YUMQZZPRSA-N 1 2 234.246 0.088 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917329 360752809 /nfs/dbraw/zinc/75/28/09/360752809.db2.gz MTOUWIJJIWQVDB-MNOVXSKESA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917329 360752815 /nfs/dbraw/zinc/75/28/15/360752815.db2.gz MTOUWIJJIWQVDB-MNOVXSKESA-N 1 2 228.336 0.725 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(F)F ZINC000628923160 360755786 /nfs/dbraw/zinc/75/57/86/360755786.db2.gz PHVLZLBBOIIKMD-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(F)F ZINC000628923160 360755789 /nfs/dbraw/zinc/75/57/89/360755789.db2.gz PHVLZLBBOIIKMD-QMMMGPOBSA-N 1 2 236.262 0.479 20 0 BCADLO CC[C@](C)(OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923647 360757211 /nfs/dbraw/zinc/75/72/11/360757211.db2.gz RNQLPQOIFPXMMU-JQWIXIFHSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@](C)(OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923647 360757215 /nfs/dbraw/zinc/75/72/15/360757215.db2.gz RNQLPQOIFPXMMU-JQWIXIFHSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)C ZINC000628926922 360759819 /nfs/dbraw/zinc/75/98/19/360759819.db2.gz VJACGKOKMJVPHM-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)C ZINC000628926922 360759824 /nfs/dbraw/zinc/75/98/24/360759824.db2.gz VJACGKOKMJVPHM-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C/C=C\CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000629033657 360817578 /nfs/dbraw/zinc/81/75/78/360817578.db2.gz CULLCODRRJRVSR-IHWYPQMZSA-N 1 2 238.331 0.934 20 0 BCADLO CNc1[nH+]cnc2c1cnn2[C@@H](C)[C@@H](C)O ZINC000309631820 491153290 /nfs/dbraw/zinc/15/32/90/491153290.db2.gz IAKXENRRWGTJJZ-NKWVEPMBSA-N 1 2 221.264 0.810 20 0 BCADLO C[C@H]1C(=O)N(CCc2cn(C)c[nH+]2)C(=O)N1C ZINC000629472583 361085618 /nfs/dbraw/zinc/08/56/18/361085618.db2.gz GACIVMVPFUXEDM-QMMMGPOBSA-N 1 2 236.275 0.245 20 0 BCADLO CCOCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424162380 200871648 /nfs/dbraw/zinc/87/16/48/200871648.db2.gz CQOHQFCKTGWMGU-QMMMGPOBSA-N 1 2 236.262 0.384 20 0 BCADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(C)n1C ZINC000640475092 361246199 /nfs/dbraw/zinc/24/61/99/361246199.db2.gz CVMJDUMJTQCAPI-FZMZJTMJSA-N 1 2 248.326 0.891 20 0 BCADLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(C)n1C ZINC000640475092 361246205 /nfs/dbraw/zinc/24/62/05/361246205.db2.gz CVMJDUMJTQCAPI-FZMZJTMJSA-N 1 2 248.326 0.891 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640475443 361247821 /nfs/dbraw/zinc/24/78/21/361247821.db2.gz GEDOOIQLFZBUHD-LDYMZIIASA-N 1 2 223.276 0.760 20 0 BCADLO CC(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640475443 361247826 /nfs/dbraw/zinc/24/78/26/361247826.db2.gz GEDOOIQLFZBUHD-LDYMZIIASA-N 1 2 223.276 0.760 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640472448 361241313 /nfs/dbraw/zinc/24/13/13/361241313.db2.gz BGSJSSDDTSVMOF-ONGXEEELSA-N 1 2 237.307 0.040 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640472448 361241318 /nfs/dbraw/zinc/24/13/18/361241318.db2.gz BGSJSSDDTSVMOF-ONGXEEELSA-N 1 2 237.307 0.040 20 0 BCADLO CC(C)(C)c1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640472766 361241385 /nfs/dbraw/zinc/24/13/85/361241385.db2.gz CYFGOIXXVRRZQB-UFBFGSQYSA-N 1 2 237.303 0.934 20 0 BCADLO CC(C)(C)c1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640472766 361241390 /nfs/dbraw/zinc/24/13/90/361241390.db2.gz CYFGOIXXVRRZQB-UFBFGSQYSA-N 1 2 237.303 0.934 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000640474021 361244325 /nfs/dbraw/zinc/24/43/25/361244325.db2.gz NPBKHIVVKMMHSH-PRHODGIISA-N 1 2 247.254 0.896 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000640474021 361244329 /nfs/dbraw/zinc/24/43/29/361244329.db2.gz NPBKHIVVKMMHSH-PRHODGIISA-N 1 2 247.254 0.896 20 0 BCADLO Cc1nocc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000640485513 361278664 /nfs/dbraw/zinc/27/86/64/361278664.db2.gz INWQLASQTINNAI-SECBINFHSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1nocc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000640485513 361278670 /nfs/dbraw/zinc/27/86/70/361278670.db2.gz INWQLASQTINNAI-SECBINFHSA-N 1 2 225.248 0.252 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640487746 361280095 /nfs/dbraw/zinc/28/00/95/361280095.db2.gz RWQHAIOVHXGVGQ-HKPALBBZSA-N 1 2 208.265 0.241 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640487746 361280100 /nfs/dbraw/zinc/28/01/00/361280100.db2.gz RWQHAIOVHXGVGQ-HKPALBBZSA-N 1 2 208.265 0.241 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]c1C ZINC000640489457 361283711 /nfs/dbraw/zinc/28/37/11/361283711.db2.gz YCDCAGWRSIJWPF-MWLCHTKSSA-N 1 2 207.277 0.593 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]c1C ZINC000640489457 361283713 /nfs/dbraw/zinc/28/37/13/361283713.db2.gz YCDCAGWRSIJWPF-MWLCHTKSSA-N 1 2 207.277 0.593 20 0 BCADLO Cc1[nH]c(CN2C[C@H]3C[C@@]3(O)C2)[nH+]c1C ZINC000640489457 361283716 /nfs/dbraw/zinc/28/37/16/361283716.db2.gz YCDCAGWRSIJWPF-MWLCHTKSSA-N 1 2 207.277 0.593 20 0 BCADLO Cn1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nnc1C1CCC1 ZINC000640481296 361265673 /nfs/dbraw/zinc/26/56/73/361265673.db2.gz LKPIMVQJKRRNEP-GWCFXTLKSA-N 1 2 248.330 0.649 20 0 BCADLO Cn1c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nnc1C1CCC1 ZINC000640481296 361265675 /nfs/dbraw/zinc/26/56/75/361265675.db2.gz LKPIMVQJKRRNEP-GWCFXTLKSA-N 1 2 248.330 0.649 20 0 BCADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1nccs1 ZINC000640482804 361268693 /nfs/dbraw/zinc/26/86/93/361268693.db2.gz KVBSJGODBQZRGB-GMSGAONNSA-N 1 2 239.300 0.148 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1nccs1 ZINC000640482804 361268699 /nfs/dbraw/zinc/26/86/99/361268699.db2.gz KVBSJGODBQZRGB-GMSGAONNSA-N 1 2 239.300 0.148 20 0 BCADLO COCc1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640482461 361269090 /nfs/dbraw/zinc/26/90/90/361269090.db2.gz JLENKOPRPUUYDP-KWQFWETISA-N 1 2 240.328 0.856 20 0 BCADLO COCc1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640482461 361269095 /nfs/dbraw/zinc/26/90/95/361269095.db2.gz JLENKOPRPUUYDP-KWQFWETISA-N 1 2 240.328 0.856 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640485741 361270131 /nfs/dbraw/zinc/27/01/31/361270131.db2.gz WFTDIRPIPBHYFT-FYBVGQRMSA-N 1 2 239.275 0.344 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640485741 361270137 /nfs/dbraw/zinc/27/01/37/361270137.db2.gz WFTDIRPIPBHYFT-FYBVGQRMSA-N 1 2 239.275 0.344 20 0 BCADLO Cc1nc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000428302853 201008265 /nfs/dbraw/zinc/00/82/65/201008265.db2.gz NYHSSTWXZKIZNV-IUCAKERBSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000428302853 201008268 /nfs/dbraw/zinc/00/82/68/201008268.db2.gz NYHSSTWXZKIZNV-IUCAKERBSA-N 1 2 223.324 0.638 20 0 BCADLO CCCCNC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000066564763 361305632 /nfs/dbraw/zinc/30/56/32/361305632.db2.gz SPXVKSYHRUTVNX-UHFFFAOYSA-N 1 2 238.335 0.768 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000066564763 361305637 /nfs/dbraw/zinc/30/56/37/361305637.db2.gz SPXVKSYHRUTVNX-UHFFFAOYSA-N 1 2 238.335 0.768 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000066528560 361298177 /nfs/dbraw/zinc/29/81/77/361298177.db2.gz VBCKKRROVOIKOD-GFCCVEGCSA-N 1 2 248.326 0.930 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000066528560 361298180 /nfs/dbraw/zinc/29/81/80/361298180.db2.gz VBCKKRROVOIKOD-GFCCVEGCSA-N 1 2 248.326 0.930 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2ncccn2)CCC1=O ZINC000579241710 366744090 /nfs/dbraw/zinc/74/40/90/366744090.db2.gz IBCVMESFPNRGIG-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2ncccn2)CCC1=O ZINC000579241710 366744095 /nfs/dbraw/zinc/74/40/95/366744095.db2.gz IBCVMESFPNRGIG-JTQLQIEISA-N 1 2 234.303 0.529 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1nncn1C ZINC000579187480 366728400 /nfs/dbraw/zinc/72/84/00/366728400.db2.gz FRRIIQRQIYGFSA-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1nncn1C ZINC000579187480 366728402 /nfs/dbraw/zinc/72/84/02/366728402.db2.gz FRRIIQRQIYGFSA-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nnc(C(C)C)[nH]1)C(N)=O ZINC000428382562 201013054 /nfs/dbraw/zinc/01/30/54/201013054.db2.gz JNHOUFYFPKXPCF-LLVKDONJSA-N 1 2 239.323 0.672 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000579196243 366731240 /nfs/dbraw/zinc/73/12/40/366731240.db2.gz WGXMYHMEDAZHSS-AOOOYVTPSA-N 1 2 232.274 0.991 20 0 BCADLO O=C1CCCN1CCC[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000579196243 366731243 /nfs/dbraw/zinc/73/12/43/366731243.db2.gz WGXMYHMEDAZHSS-AOOOYVTPSA-N 1 2 232.274 0.991 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](CCO)c2ccco2)[nH]1 ZINC000428417960 201013953 /nfs/dbraw/zinc/01/39/53/201013953.db2.gz ALFZZRFDCIHFCP-VIFPVBQESA-N 1 2 236.275 0.919 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)CC(N)=O)cn1 ZINC000428469764 201021246 /nfs/dbraw/zinc/02/12/46/201021246.db2.gz XAGBIEWHWVCGSM-QMMMGPOBSA-N 1 2 208.265 0.263 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)CC(N)=O)cn1 ZINC000428469764 201021249 /nfs/dbraw/zinc/02/12/49/201021249.db2.gz XAGBIEWHWVCGSM-QMMMGPOBSA-N 1 2 208.265 0.263 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ncn1 ZINC000428494729 201026460 /nfs/dbraw/zinc/02/64/60/201026460.db2.gz ONADXBBGVUKFBE-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ncn1 ZINC000428494729 201026463 /nfs/dbraw/zinc/02/64/63/201026463.db2.gz ONADXBBGVUKFBE-PWSUYJOCSA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)CC[C@H]1C ZINC000428500275 201026851 /nfs/dbraw/zinc/02/68/51/201026851.db2.gz YPYNADHJZMWCFD-PSASIEDQSA-N 1 2 224.308 0.970 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)CC[C@H]1C ZINC000428500275 201026854 /nfs/dbraw/zinc/02/68/54/201026854.db2.gz YPYNADHJZMWCFD-PSASIEDQSA-N 1 2 224.308 0.970 20 0 BCADLO Cc1nnc(C[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000428312873 201008514 /nfs/dbraw/zinc/00/85/14/201008514.db2.gz XPRYSFDDSXNICK-QMMMGPOBSA-N 1 2 210.281 0.581 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000428312873 201008517 /nfs/dbraw/zinc/00/85/17/201008517.db2.gz XPRYSFDDSXNICK-QMMMGPOBSA-N 1 2 210.281 0.581 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)n1cc[nH+]c1 ZINC000579239385 366742017 /nfs/dbraw/zinc/74/20/17/366742017.db2.gz TUTRFHKVOZZHKY-GHMZBOCLSA-N 1 2 249.314 0.818 20 0 BCADLO CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000079774680 370692056 /nfs/dbraw/zinc/69/20/56/370692056.db2.gz AKKUBVJAJSOTMD-UHFFFAOYSA-N 1 2 210.281 0.982 20 0 BCADLO CCC[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000429124228 201071063 /nfs/dbraw/zinc/07/10/63/201071063.db2.gz ZFBCSGVPFJNKJD-ZCFIWIBFSA-N 1 2 228.214 0.107 20 0 BCADLO CCC[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000429124228 201071066 /nfs/dbraw/zinc/07/10/66/201071066.db2.gz ZFBCSGVPFJNKJD-ZCFIWIBFSA-N 1 2 228.214 0.107 20 0 BCADLO C[C@H](CC(N)=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276725 363768691 /nfs/dbraw/zinc/76/86/91/363768691.db2.gz VTUOLCOVXLKRIP-MRVPVSSYSA-N 1 2 246.270 0.784 20 0 BCADLO CC[N@@H+](Cc1nnc(C)[nH]1)C[C@@H](C)OC ZINC000428982406 201054955 /nfs/dbraw/zinc/05/49/55/201054955.db2.gz MZVZXNWYJHOVCM-MRVPVSSYSA-N 1 2 212.297 0.970 20 0 BCADLO CC[N@H+](Cc1nnc(C)[nH]1)C[C@@H](C)OC ZINC000428982406 201054958 /nfs/dbraw/zinc/05/49/58/201054958.db2.gz MZVZXNWYJHOVCM-MRVPVSSYSA-N 1 2 212.297 0.970 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000429279879 201089607 /nfs/dbraw/zinc/08/96/07/201089607.db2.gz NGXVOIKUEZGVQT-SNVBAGLBSA-N 1 2 242.323 0.298 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429279879 201089609 /nfs/dbraw/zinc/08/96/09/201089609.db2.gz NGXVOIKUEZGVQT-SNVBAGLBSA-N 1 2 242.323 0.298 20 0 BCADLO CCCN(CC(N)=O)Cc1c[nH+]cn1C ZINC000429165611 201076267 /nfs/dbraw/zinc/07/62/67/201076267.db2.gz SKIIBDIVRAPNHN-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000429362880 201104291 /nfs/dbraw/zinc/10/42/91/201104291.db2.gz NNURYERMTIBCTG-QMMMGPOBSA-N 1 2 239.275 0.603 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)Cc1ccon1 ZINC000579256822 366750621 /nfs/dbraw/zinc/75/06/21/366750621.db2.gz HEWABHCBCPKGOG-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO Cn1nccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429295007 201094024 /nfs/dbraw/zinc/09/40/24/201094024.db2.gz OOZMFZLUWMUFTR-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1nccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000429295007 201094027 /nfs/dbraw/zinc/09/40/27/201094027.db2.gz OOZMFZLUWMUFTR-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO CC[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000579365230 366771433 /nfs/dbraw/zinc/77/14/33/366771433.db2.gz SHGCLYHRQAJBRS-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1n[nH]c(=O)[nH]1 ZINC000429317027 201099382 /nfs/dbraw/zinc/09/93/82/201099382.db2.gz KBBJQJLIEKNTBR-BQBZGAKWSA-N 1 2 226.280 0.244 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000579391842 366776899 /nfs/dbraw/zinc/77/68/99/366776899.db2.gz DSUQGTIRMFENJQ-DLOVCJGASA-N 1 2 249.314 0.192 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)[nH]1 ZINC000429321730 201101511 /nfs/dbraw/zinc/10/15/11/201101511.db2.gz ZTIWMZWRTYXRHY-MRVPVSSYSA-N 1 2 246.270 0.473 20 0 BCADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000429362880 201104290 /nfs/dbraw/zinc/10/42/90/201104290.db2.gz NNURYERMTIBCTG-QMMMGPOBSA-N 1 2 239.275 0.603 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429571876 201118270 /nfs/dbraw/zinc/11/82/70/201118270.db2.gz SNFMYCQJSGNYBH-LYGAQUJYSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429571876 201118272 /nfs/dbraw/zinc/11/82/72/201118272.db2.gz SNFMYCQJSGNYBH-LYGAQUJYSA-N 1 2 246.376 0.306 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)CC[S@@]1=O ZINC000429570051 201119791 /nfs/dbraw/zinc/11/97/91/201119791.db2.gz AFUBZBLXWYNGBR-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)CC[S@@]1=O ZINC000429570051 201119795 /nfs/dbraw/zinc/11/97/95/201119795.db2.gz AFUBZBLXWYNGBR-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429636583 201123164 /nfs/dbraw/zinc/12/31/64/201123164.db2.gz UKGVECIBBUSVDH-GXSJLCMTSA-N 1 2 227.304 0.701 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429636583 201123168 /nfs/dbraw/zinc/12/31/68/201123168.db2.gz UKGVECIBBUSVDH-GXSJLCMTSA-N 1 2 227.304 0.701 20 0 BCADLO Cc1nc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000429684629 201125780 /nfs/dbraw/zinc/12/57/80/201125780.db2.gz KKZZWNIVYVKISB-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO Cc1nc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000429684629 201125783 /nfs/dbraw/zinc/12/57/83/201125783.db2.gz KKZZWNIVYVKISB-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO C=Cn1cc(C[N@H+](CCC)CC(N)=O)cn1 ZINC000430117349 201145805 /nfs/dbraw/zinc/14/58/05/201145805.db2.gz CHNALURDXBSADP-UHFFFAOYSA-N 1 2 222.292 0.681 20 0 BCADLO C=Cn1cc(C[N@@H+](CCC)CC(N)=O)cn1 ZINC000430117349 201145806 /nfs/dbraw/zinc/14/58/06/201145806.db2.gz CHNALURDXBSADP-UHFFFAOYSA-N 1 2 222.292 0.681 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC(=O)C1 ZINC000579478373 366825810 /nfs/dbraw/zinc/82/58/10/366825810.db2.gz YUZJFPBIEZRHOD-SSDOTTSWSA-N 1 2 220.228 0.517 20 0 BCADLO C[NH2+]CCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000579472206 366819817 /nfs/dbraw/zinc/81/98/17/366819817.db2.gz GZXFXDXUIRLBGF-YFKPBYRVSA-N 1 2 234.243 0.076 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cnn(CC)c1 ZINC000430172432 201148421 /nfs/dbraw/zinc/14/84/21/201148421.db2.gz WZFSAKWQAVIEDT-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cnn(CC)c1 ZINC000430172432 201148425 /nfs/dbraw/zinc/14/84/25/201148425.db2.gz WZFSAKWQAVIEDT-UHFFFAOYSA-N 1 2 224.308 0.600 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000432509146 201162285 /nfs/dbraw/zinc/16/22/85/201162285.db2.gz JGKUEFPPWZJWHS-GXSJLCMTSA-N 1 2 240.303 0.196 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433191645 201166509 /nfs/dbraw/zinc/16/65/09/201166509.db2.gz WBQRWXWYOKPJFM-QMMMGPOBSA-N 1 2 226.324 0.915 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433191645 201166511 /nfs/dbraw/zinc/16/65/11/201166511.db2.gz WBQRWXWYOKPJFM-QMMMGPOBSA-N 1 2 226.324 0.915 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551683 201227461 /nfs/dbraw/zinc/22/74/61/201227461.db2.gz YZJVTUQQBQACDR-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551683 201227465 /nfs/dbraw/zinc/22/74/65/201227465.db2.gz YZJVTUQQBQACDR-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000434479987 201222107 /nfs/dbraw/zinc/22/21/07/201222107.db2.gz LMKZAYRGIIRIIV-OUAUKWLOSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000434479987 201222111 /nfs/dbraw/zinc/22/21/11/201222111.db2.gz LMKZAYRGIIRIIV-OUAUKWLOSA-N 1 2 247.360 0.530 20 0 BCADLO CC(C)OCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000448551682 201225869 /nfs/dbraw/zinc/22/58/69/201225869.db2.gz YZJVTUQQBQACDR-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000448551682 201225872 /nfs/dbraw/zinc/22/58/72/201225872.db2.gz YZJVTUQQBQACDR-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO CCC[C@H](CC)NC(=O)CN1CC[NH2+]CC1=O ZINC000153806445 201249904 /nfs/dbraw/zinc/24/99/04/201249904.db2.gz JYTMSWHDZJLLCC-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO COCc1nc(C[N@H+](C)CCCCCO)no1 ZINC000434660278 201232499 /nfs/dbraw/zinc/23/24/99/201232499.db2.gz BVAAKJGVDWGVRO-UHFFFAOYSA-N 1 2 243.307 0.810 20 0 BCADLO COCc1nc(C[N@@H+](C)CCCCCO)no1 ZINC000434660278 201232500 /nfs/dbraw/zinc/23/25/00/201232500.db2.gz BVAAKJGVDWGVRO-UHFFFAOYSA-N 1 2 243.307 0.810 20 0 BCADLO Cn1nnc(C[N@H+](C)C2CC(C)(C)C2)n1 ZINC000448554860 201255533 /nfs/dbraw/zinc/25/55/33/201255533.db2.gz ITZAJKKYZBUKMV-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO Cn1nnc(C[N@@H+](C)C2CC(C)(C)C2)n1 ZINC000448554860 201255536 /nfs/dbraw/zinc/25/55/36/201255536.db2.gz ITZAJKKYZBUKMV-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000448559125 201268960 /nfs/dbraw/zinc/26/89/60/201268960.db2.gz XPWXLBJKFRKVAI-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C(C)(C)CO ZINC000133755298 491160361 /nfs/dbraw/zinc/16/03/61/491160361.db2.gz RGLAKMUDXKOIHY-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO C[C@H](C(=O)N1C[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000436191408 201312776 /nfs/dbraw/zinc/31/27/76/201312776.db2.gz XUSMJXPDPZVYLR-IJLUTSLNSA-N 1 2 240.347 0.822 20 0 BCADLO C[C@H](C(=O)N(C)CCC1CC1)[NH+]1CCOCC1 ZINC000437511613 201355453 /nfs/dbraw/zinc/35/54/53/201355453.db2.gz GKOQPBYANAXYHP-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CN(CCCO)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614460299 363824082 /nfs/dbraw/zinc/82/40/82/363824082.db2.gz FCRMTRPFPWYNGO-VIFPVBQESA-N 1 2 237.303 0.355 20 0 BCADLO CN(CCCO)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614460299 363824086 /nfs/dbraw/zinc/82/40/86/363824086.db2.gz FCRMTRPFPWYNGO-VIFPVBQESA-N 1 2 237.303 0.355 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cs1 ZINC000328354928 363885182 /nfs/dbraw/zinc/88/51/82/363885182.db2.gz NYHGZCZGUPJKRV-ZJUUUORDSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cs1 ZINC000328354928 363885183 /nfs/dbraw/zinc/88/51/83/363885183.db2.gz NYHGZCZGUPJKRV-ZJUUUORDSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2CCO[C@@H]2C)no1 ZINC000329197598 363899597 /nfs/dbraw/zinc/89/95/97/363899597.db2.gz UHYQVFFLYISBFF-HTQZYQBOSA-N 1 2 211.265 0.899 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCN1 ZINC000614735350 363945241 /nfs/dbraw/zinc/94/52/41/363945241.db2.gz WITIYNISSDYSPV-NXEZZACHSA-N 1 2 234.303 0.651 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCOC1 ZINC000614656892 363916692 /nfs/dbraw/zinc/91/66/92/363916692.db2.gz GUOIMCZDCZQDHT-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCOC1 ZINC000614656892 363916696 /nfs/dbraw/zinc/91/66/96/363916696.db2.gz GUOIMCZDCZQDHT-SECBINFHSA-N 1 2 235.287 0.721 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCOC1 ZINC000614658584 363917619 /nfs/dbraw/zinc/91/76/19/363917619.db2.gz WUNUSDXEJKTCIV-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)COC ZINC000622082812 370698553 /nfs/dbraw/zinc/69/85/53/370698553.db2.gz SCIHKICQLKTCIE-QMMMGPOBSA-N 1 2 211.265 0.727 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(CO)CC1 ZINC000614772993 363963572 /nfs/dbraw/zinc/96/35/72/363963572.db2.gz FMPCANKYRZKVKZ-NXEZZACHSA-N 1 2 249.314 0.507 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614886258 364033363 /nfs/dbraw/zinc/03/33/63/364033363.db2.gz PDBKUWYFTWUOTP-JGVFFNPUSA-N 1 2 225.267 0.989 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614886258 364033366 /nfs/dbraw/zinc/03/33/66/364033366.db2.gz PDBKUWYFTWUOTP-JGVFFNPUSA-N 1 2 225.267 0.989 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC000630388367 364104211 /nfs/dbraw/zinc/10/42/11/364104211.db2.gz GTQDBLZRJOJNAO-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncn(C)n1 ZINC000622083387 370700054 /nfs/dbraw/zinc/70/00/54/370700054.db2.gz CNEMDBLGPPOIHX-MRVPVSSYSA-N 1 2 248.290 0.523 20 0 BCADLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)[C@@H](C)O ZINC000622090645 370703817 /nfs/dbraw/zinc/70/38/17/370703817.db2.gz RSBPWQYDCVVECL-BDAKNGLRSA-N 1 2 239.319 0.963 20 0 BCADLO CC(C)(F)CNC(=O)NCC[NH+]1CCOCC1 ZINC000630400287 364128882 /nfs/dbraw/zinc/12/88/82/364128882.db2.gz LNOFYWPRQTYHMN-UHFFFAOYSA-N 1 2 247.314 0.366 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C)COC1 ZINC000630406121 364137686 /nfs/dbraw/zinc/13/76/86/364137686.db2.gz OPPOSPWFJUKPGP-SECBINFHSA-N 1 2 238.291 0.360 20 0 BCADLO O=C(CC1CSC1)NCC[NH+]1CCOCC1 ZINC000630413377 364149156 /nfs/dbraw/zinc/14/91/56/364149156.db2.gz FCMLOAXFGRLYKV-UHFFFAOYSA-N 1 2 244.360 0.188 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000622111786 370716916 /nfs/dbraw/zinc/71/69/16/370716916.db2.gz FQBJDKUURSSXQA-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614933578 364194483 /nfs/dbraw/zinc/19/44/83/364194483.db2.gz DGPBXURVTKJJSR-VHSXEESVSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614933578 364194487 /nfs/dbraw/zinc/19/44/87/364194487.db2.gz DGPBXURVTKJJSR-VHSXEESVSA-N 1 2 249.314 0.810 20 0 BCADLO CC[C@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000630619002 364357211 /nfs/dbraw/zinc/35/72/11/364357211.db2.gz IVKKSLGWDLKPBB-NSHDSACASA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000630619002 364357216 /nfs/dbraw/zinc/35/72/16/364357216.db2.gz IVKKSLGWDLKPBB-NSHDSACASA-N 1 2 242.323 0.127 20 0 BCADLO CC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329917066 541354055 /nfs/dbraw/zinc/35/40/55/541354055.db2.gz FATLNXFXHCDUPO-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329917066 541354059 /nfs/dbraw/zinc/35/40/59/541354059.db2.gz FATLNXFXHCDUPO-LLVKDONJSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000134583408 541358745 /nfs/dbraw/zinc/35/87/45/541358745.db2.gz AUBUZGKVGYNWSX-NKWVEPMBSA-N 1 2 210.281 0.633 20 0 BCADLO CC[N@H+](CCO)[C@H](C)c1nc(COC)no1 ZINC000181754451 366846176 /nfs/dbraw/zinc/84/61/76/366846176.db2.gz XGPQQADULRPILO-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CC[N@@H+](CCO)[C@H](C)c1nc(COC)no1 ZINC000181754451 366846183 /nfs/dbraw/zinc/84/61/83/366846183.db2.gz XGPQQADULRPILO-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO Cc1nocc1C(=O)NCCn1cc[nH+]c1 ZINC000630734912 364525998 /nfs/dbraw/zinc/52/59/98/364525998.db2.gz JTIMAFXFPOAYEC-UHFFFAOYSA-N 1 2 220.232 0.610 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CSC1 ZINC000630743003 364531369 /nfs/dbraw/zinc/53/13/69/364531369.db2.gz LGBFEUSUNMLQCK-VIFPVBQESA-N 1 2 244.360 0.186 20 0 BCADLO Cc1conc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000630748083 364533358 /nfs/dbraw/zinc/53/33/58/364533358.db2.gz ZUPYRAIUFBVGGR-VIFPVBQESA-N 1 2 234.259 0.998 20 0 BCADLO CC[C@@H](O)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158049 364547344 /nfs/dbraw/zinc/54/73/44/364547344.db2.gz IRPYUEIRJZZZNY-HTQZYQBOSA-N 1 2 211.265 0.748 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158089 364550085 /nfs/dbraw/zinc/55/00/85/364550085.db2.gz JGCXLRVOYARGGP-HTQZYQBOSA-N 1 2 211.265 0.604 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000615175862 364593951 /nfs/dbraw/zinc/59/39/51/364593951.db2.gz MDXBKNQVJUEAOQ-MWGHHZFTSA-N 1 2 247.298 0.523 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H](O)C1CC1 ZINC000615233933 364649522 /nfs/dbraw/zinc/64/95/22/364649522.db2.gz RBXBNCCASLQIDQ-NSHDSACASA-N 1 2 236.271 0.477 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(CC(F)F)C1 ZINC000573318241 364797162 /nfs/dbraw/zinc/79/71/62/364797162.db2.gz NXLUPEWXLUCRCA-UHFFFAOYSA-N 1 2 229.230 0.997 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573327765 364801385 /nfs/dbraw/zinc/80/13/85/364801385.db2.gz UQBWLXULSLIFQO-KOLCDFICSA-N 1 2 237.303 0.333 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333006076 364764505 /nfs/dbraw/zinc/76/45/05/364764505.db2.gz KSRXIIATELBHKA-GMTAPVOTSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000573086462 364783470 /nfs/dbraw/zinc/78/34/70/364783470.db2.gz IAEBFSGQIPHGIW-WCBMZHEXSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000573086462 364783477 /nfs/dbraw/zinc/78/34/77/364783477.db2.gz IAEBFSGQIPHGIW-WCBMZHEXSA-N 1 2 236.319 0.648 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]1C1CC1 ZINC000573499660 364848183 /nfs/dbraw/zinc/84/81/83/364848183.db2.gz KVJYJPDWOKXVLE-SNVBAGLBSA-N 1 2 205.261 0.894 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C(C)C)no1 ZINC000573365124 364810305 /nfs/dbraw/zinc/81/03/05/364810305.db2.gz QWTWZFFAYOTQSY-RKDXNWHRSA-N 1 2 241.291 0.696 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CCSC ZINC000167839142 364813708 /nfs/dbraw/zinc/81/37/08/364813708.db2.gz WIMNOYKRUSWEBM-UHFFFAOYSA-N 1 2 228.321 0.867 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CCSC ZINC000167839142 364813712 /nfs/dbraw/zinc/81/37/12/364813712.db2.gz WIMNOYKRUSWEBM-UHFFFAOYSA-N 1 2 228.321 0.867 20 0 BCADLO C[C@H](CC(=O)NCC(=O)N(C)C)n1cc[nH+]c1 ZINC000573376272 364814476 /nfs/dbraw/zinc/81/44/76/364814476.db2.gz MKIOAOOFLGDKHM-SECBINFHSA-N 1 2 238.291 0.039 20 0 BCADLO CCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000573578372 364869078 /nfs/dbraw/zinc/86/90/78/364869078.db2.gz NQKDPQRXGNGXIV-AOOOYVTPSA-N 1 2 212.293 0.376 20 0 BCADLO CCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000573578372 364869081 /nfs/dbraw/zinc/86/90/81/364869081.db2.gz NQKDPQRXGNGXIV-AOOOYVTPSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H](CC(=O)N=c1nc[nH]n1C)n1cc[nH+]c1 ZINC000573567757 364864263 /nfs/dbraw/zinc/86/42/63/364864263.db2.gz NSZVRBXWWNMREF-MRVPVSSYSA-N 1 2 234.263 0.023 20 0 BCADLO CCc1nnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)[nH]1 ZINC000573860713 364933979 /nfs/dbraw/zinc/93/39/79/364933979.db2.gz NAGSIECKAWLQRA-QMMMGPOBSA-N 1 2 237.307 0.646 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573932512 364949631 /nfs/dbraw/zinc/94/96/31/364949631.db2.gz LRVVAUDJJPSFPC-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573932512 364949637 /nfs/dbraw/zinc/94/96/37/364949637.db2.gz LRVVAUDJJPSFPC-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccco1 ZINC000336015540 541424153 /nfs/dbraw/zinc/42/41/53/541424153.db2.gz YFDTXBRKKALHHK-UHFFFAOYSA-N 1 2 205.217 0.943 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CCn2nncc2C1 ZINC000574098409 364987727 /nfs/dbraw/zinc/98/77/27/364987727.db2.gz OQAXHDJHAVVVRW-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCn2nncc2C1 ZINC000574098409 364987730 /nfs/dbraw/zinc/98/77/30/364987730.db2.gz OQAXHDJHAVVVRW-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO O=S(=O)(CCCCF)Nc1c[nH+]c[nH]1 ZINC000574127771 364991846 /nfs/dbraw/zinc/99/18/46/364991846.db2.gz HLNIXKOIOCTGSG-UHFFFAOYSA-N 1 2 221.257 0.901 20 0 BCADLO COc1ccnc(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000574150631 364996846 /nfs/dbraw/zinc/99/68/46/364996846.db2.gz DQKQWCLBYXCPOG-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000168962846 365045644 /nfs/dbraw/zinc/04/56/44/365045644.db2.gz BCYBELYGSZCLAJ-UHFFFAOYSA-N 1 2 222.288 0.960 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000168962846 365045651 /nfs/dbraw/zinc/04/56/51/365045651.db2.gz BCYBELYGSZCLAJ-UHFFFAOYSA-N 1 2 222.288 0.960 20 0 BCADLO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc[nH]n2)C1=O ZINC000574277554 365026374 /nfs/dbraw/zinc/02/63/74/365026374.db2.gz WVBKBFNHISYWQY-JTQLQIEISA-N 1 2 236.319 0.899 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574521728 365082118 /nfs/dbraw/zinc/08/21/18/365082118.db2.gz HOSBILJNQKEJGW-ZMLRMANQSA-N 1 2 249.314 0.739 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574521724 365082217 /nfs/dbraw/zinc/08/22/17/365082217.db2.gz HOSBILJNQKEJGW-ADEWGFFLSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H](CC(=O)NCC(C)(C)O)n1cc[nH+]c1 ZINC000574522969 365082245 /nfs/dbraw/zinc/08/22/45/365082245.db2.gz JOYYVRLICMSOID-SECBINFHSA-N 1 2 225.292 0.721 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](c3ccncc3)C2)[nH]1 ZINC000574650394 365113341 /nfs/dbraw/zinc/11/33/41/365113341.db2.gz YHTUZEGHTMOSBZ-JTQLQIEISA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](c3ccncc3)C2)[nH]1 ZINC000574650394 365113346 /nfs/dbraw/zinc/11/33/46/365113346.db2.gz YHTUZEGHTMOSBZ-JTQLQIEISA-N 1 2 245.286 0.895 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCCn3nccc32)C1 ZINC000574648507 365113738 /nfs/dbraw/zinc/11/37/38/365113738.db2.gz ONTOEJWHFFBOBN-UHFFFAOYSA-N 1 2 248.330 0.962 20 0 BCADLO CCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000171135767 365171577 /nfs/dbraw/zinc/17/15/77/365171577.db2.gz SMSXKOZDHWXFDW-LLVKDONJSA-N 1 2 227.352 0.539 20 0 BCADLO COC(C)(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171603067 365221617 /nfs/dbraw/zinc/22/16/17/365221617.db2.gz FPWSJSXGTXWFLB-UHFFFAOYSA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](CC(N)=O)Nc1cc[nH+]c2ccncc12 ZINC000444091885 193034234 /nfs/dbraw/zinc/03/42/34/193034234.db2.gz YPVAFAMTRODFPP-MRVPVSSYSA-N 1 2 230.271 0.728 20 0 BCADLO O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1CC[NH2+]1 ZINC000444112370 193034562 /nfs/dbraw/zinc/03/45/62/193034562.db2.gz BOPLAURZZPNNHL-SNVBAGLBSA-N 1 2 243.270 0.772 20 0 BCADLO CC[C@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000622274504 370815305 /nfs/dbraw/zinc/81/53/05/370815305.db2.gz NCOAMDUHWTUQKV-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H](O)C1CCC1 ZINC000622274540 370815384 /nfs/dbraw/zinc/81/53/84/370815384.db2.gz OFLLBDANUNUYOK-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](CCCO)C1 ZINC000575875700 365400302 /nfs/dbraw/zinc/40/03/02/365400302.db2.gz QMUNSUVMRAVXSZ-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174393859 365484351 /nfs/dbraw/zinc/48/43/51/365484351.db2.gz QYKSEPRGDZFZJS-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174393859 365484356 /nfs/dbraw/zinc/48/43/56/365484356.db2.gz QYKSEPRGDZFZJS-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccncc1 ZINC000352190687 541480000 /nfs/dbraw/zinc/48/00/00/541480000.db2.gz OZGGJQDYRUHGKW-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccncc1 ZINC000352190687 541480005 /nfs/dbraw/zinc/48/00/05/541480005.db2.gz OZGGJQDYRUHGKW-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO Cn1ccc(CC(=O)NCCCn2cc[nH+]c2)n1 ZINC000182957416 366961103 /nfs/dbraw/zinc/96/11/03/366961103.db2.gz CEYIJPQSWYAYDC-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO Cc1ccc2nc(C[NH2+]C3(C(N)=O)CC3)cn2c1 ZINC000183842488 367053011 /nfs/dbraw/zinc/05/30/11/367053011.db2.gz XSPZYXOGICGZFM-UHFFFAOYSA-N 1 2 244.298 0.750 20 0 BCADLO Cc1nnccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000579855419 367055054 /nfs/dbraw/zinc/05/50/54/367055054.db2.gz LXMDRAGJTMRCBX-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)COC)[C@H](C)CC ZINC000183590030 367028215 /nfs/dbraw/zinc/02/82/15/367028215.db2.gz DTFXALYYASIHNZ-GMTAPVOTSA-N 1 2 247.335 0.561 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185099117 367118899 /nfs/dbraw/zinc/11/88/99/367118899.db2.gz COVNSZWOBUKCAM-HWPZZCPQSA-N 1 2 248.392 0.602 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185099117 367118904 /nfs/dbraw/zinc/11/89/04/367118904.db2.gz COVNSZWOBUKCAM-HWPZZCPQSA-N 1 2 248.392 0.602 20 0 BCADLO CCCC[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000185187310 367125593 /nfs/dbraw/zinc/12/55/93/367125593.db2.gz OTNRTJDEKUOYOO-ZETCQYMHSA-N 1 2 242.241 0.497 20 0 BCADLO CCCC[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000185187310 367125600 /nfs/dbraw/zinc/12/56/00/367125600.db2.gz OTNRTJDEKUOYOO-ZETCQYMHSA-N 1 2 242.241 0.497 20 0 BCADLO CC(C)(NC(=O)CCCC(N)=O)c1[nH]cc[nH+]1 ZINC000579967985 367108099 /nfs/dbraw/zinc/10/80/99/367108099.db2.gz BZSYGVQFEIEBAN-UHFFFAOYSA-N 1 2 238.291 0.417 20 0 BCADLO CCn1nnc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000622307495 370835828 /nfs/dbraw/zinc/83/58/28/370835828.db2.gz BNJJIWUEPXMVJI-UHFFFAOYSA-N 1 2 248.290 0.233 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cc2n(n1)CCC2 ZINC000622307488 370835924 /nfs/dbraw/zinc/83/59/24/370835924.db2.gz BGRRYKYFACWTFR-UHFFFAOYSA-N 1 2 245.286 0.456 20 0 BCADLO CC1(O)CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000622307986 370836036 /nfs/dbraw/zinc/83/60/36/370836036.db2.gz QTYGUFZSSXVXMC-UHFFFAOYSA-N 1 2 223.276 0.160 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H]1CCNC1=O ZINC000580960880 367219251 /nfs/dbraw/zinc/21/92/51/367219251.db2.gz YGYYGSSAHJFAGU-VIFPVBQESA-N 1 2 242.319 0.444 20 0 BCADLO Cc1cc(N[C@H]2CCS(=O)(=O)[C@H]2C)nc[nH+]1 ZINC000381042422 367340426 /nfs/dbraw/zinc/34/04/26/367340426.db2.gz CNVFVTTWBKUUMK-IUCAKERBSA-N 1 2 241.316 0.773 20 0 BCADLO COc1ccc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000581318669 367345273 /nfs/dbraw/zinc/34/52/73/367345273.db2.gz CWDLTDLIEISOAB-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1ccc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000581318669 367345278 /nfs/dbraw/zinc/34/52/78/367345278.db2.gz CWDLTDLIEISOAB-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000581188443 367288113 /nfs/dbraw/zinc/28/81/13/367288113.db2.gz PIZWNWNLXMFNJN-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000581188443 367288120 /nfs/dbraw/zinc/28/81/20/367288120.db2.gz PIZWNWNLXMFNJN-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO CC1(C)[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000380785825 367303493 /nfs/dbraw/zinc/30/34/93/367303493.db2.gz CVPQUEFWVQTNCG-BDAKNGLRSA-N 1 2 223.276 0.159 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000194842864 367323526 /nfs/dbraw/zinc/32/35/26/367323526.db2.gz AKHVGQWXBMRBRV-ZYHUDNBSSA-N 1 2 237.303 0.565 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000194842864 367323529 /nfs/dbraw/zinc/32/35/29/367323529.db2.gz AKHVGQWXBMRBRV-ZYHUDNBSSA-N 1 2 237.303 0.565 20 0 BCADLO Cn1c[nH+]cc1CCCn1nnn(C2CC2)c1=O ZINC000581380895 367411784 /nfs/dbraw/zinc/41/17/84/367411784.db2.gz IFXHSNCDOSALMT-UHFFFAOYSA-N 1 2 248.290 0.141 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC(C)(C)O1 ZINC000581403365 367432493 /nfs/dbraw/zinc/43/24/93/367432493.db2.gz AOQSNBGXJDGWQG-JTQLQIEISA-N 1 2 237.303 0.909 20 0 BCADLO CC[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000382381159 367513415 /nfs/dbraw/zinc/51/34/15/367513415.db2.gz HUKXQPKRSYOVPJ-JTQLQIEISA-N 1 2 211.265 0.160 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)c1ncc[nH]1 ZINC000383820051 367654456 /nfs/dbraw/zinc/65/44/56/367654456.db2.gz WLLCKPHVPCDVMU-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO Cc1cn(C)nc1C(=O)NCc1[nH+]ccn1C ZINC000622353590 370863288 /nfs/dbraw/zinc/86/32/88/370863288.db2.gz UUHPOSLEXIVRHB-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cc2n(n1)CCC2 ZINC000622353254 370862931 /nfs/dbraw/zinc/86/29/31/370862931.db2.gz GGUKNJARMNCGGJ-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000384284404 367681719 /nfs/dbraw/zinc/68/17/19/367681719.db2.gz CKZYYBQPXQYLTQ-KHQFGBGNSA-N 1 2 215.293 0.951 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000384284409 367682240 /nfs/dbraw/zinc/68/22/40/367682240.db2.gz CKZYYBQPXQYLTQ-WEDXCCLWSA-N 1 2 215.293 0.951 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H](O)C1CCC1 ZINC000622353635 370863054 /nfs/dbraw/zinc/86/30/54/370863054.db2.gz WVEBJNSZMAEZSI-JTQLQIEISA-N 1 2 223.276 0.197 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1CCO ZINC000581700344 367718967 /nfs/dbraw/zinc/71/89/67/367718967.db2.gz WKYPCIWVMWOHAX-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO Cc1ccn(CC(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000622363927 370870051 /nfs/dbraw/zinc/87/00/51/370870051.db2.gz DOSCNGNDILMCNY-UHFFFAOYSA-N 1 2 233.275 0.274 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](O)C1CCC1 ZINC000622364389 370870361 /nfs/dbraw/zinc/87/03/61/370870361.db2.gz SQHKDBVTMCCLKX-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC1(F)F ZINC000622366644 370870912 /nfs/dbraw/zinc/87/09/12/370870912.db2.gz JWSBHPMBGBTTTF-RXMQYKEDSA-N 1 2 201.176 0.681 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H](O)C1CCC1 ZINC000622384510 370881408 /nfs/dbraw/zinc/88/14/08/370881408.db2.gz IIEMRYAJYYKJFD-SECBINFHSA-N 1 2 209.249 0.187 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H](O)C1CCC1 ZINC000622384510 370881414 /nfs/dbraw/zinc/88/14/14/370881414.db2.gz IIEMRYAJYYKJFD-SECBINFHSA-N 1 2 209.249 0.187 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1ncccc1F ZINC000622384579 370882092 /nfs/dbraw/zinc/88/20/92/370882092.db2.gz KXZVZSSFJUCNNE-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1ncccc1F ZINC000622384579 370882096 /nfs/dbraw/zinc/88/20/96/370882096.db2.gz KXZVZSSFJUCNNE-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO C[C@H](Cc1cnn(C)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000622366628 370871453 /nfs/dbraw/zinc/87/14/53/370871453.db2.gz JJDSAHFCUHZFIM-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO C[C@@H]1[C@H](CO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000385862974 367870615 /nfs/dbraw/zinc/87/06/15/367870615.db2.gz ZYYGYNRVIIFVBU-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H]1[C@H](CO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000385862976 367871415 /nfs/dbraw/zinc/87/14/15/367871415.db2.gz ZYYGYNRVIIFVBU-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)OC ZINC000385365410 367821591 /nfs/dbraw/zinc/82/15/91/367821591.db2.gz PWYTZAAPFQXUAY-QMMMGPOBSA-N 1 2 211.265 0.554 20 0 BCADLO C[C@@H](O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581828511 367835868 /nfs/dbraw/zinc/83/58/68/367835868.db2.gz DLTHYJOIPSUGOZ-NXEZZACHSA-N 1 2 225.292 0.721 20 0 BCADLO COc1cccc(C[N@H+](C)CC(N)=O)c1OC ZINC000015299976 367936114 /nfs/dbraw/zinc/93/61/14/367936114.db2.gz LWXCJERNGADDHS-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO COc1cccc(C[N@@H+](C)CC(N)=O)c1OC ZINC000015299976 367936120 /nfs/dbraw/zinc/93/61/20/367936120.db2.gz LWXCJERNGADDHS-UHFFFAOYSA-N 1 2 238.287 0.621 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581893959 367884708 /nfs/dbraw/zinc/88/47/08/367884708.db2.gz FCMCLLCQVRGUGP-DTWKUNHWSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581893959 367884716 /nfs/dbraw/zinc/88/47/16/367884716.db2.gz FCMCLLCQVRGUGP-DTWKUNHWSA-N 1 2 225.292 0.428 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@H]1COc2ccccc2O1 ZINC000015296963 367938214 /nfs/dbraw/zinc/93/82/14/367938214.db2.gz MIZDBJMIUIWUKD-VIFPVBQESA-N 1 2 236.271 0.244 20 0 BCADLO C[N@H+](CC(N)=O)C[C@H]1COc2ccccc2O1 ZINC000015296963 367938219 /nfs/dbraw/zinc/93/82/19/367938219.db2.gz MIZDBJMIUIWUKD-VIFPVBQESA-N 1 2 236.271 0.244 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCC1(O)CCC1 ZINC000630923272 367959375 /nfs/dbraw/zinc/95/93/75/367959375.db2.gz UJTAQWWPJJVAFK-UHFFFAOYSA-N 1 2 237.303 0.732 20 0 BCADLO CCCCc1cc(NC(CO)CO)nc[nH+]1 ZINC000631131343 367983498 /nfs/dbraw/zinc/98/34/98/367983498.db2.gz XCVNEUGHTLWKEQ-UHFFFAOYSA-N 1 2 225.292 0.584 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CCOCCN1 ZINC000615490246 368068554 /nfs/dbraw/zinc/06/85/54/368068554.db2.gz RODIINSXKXVWQC-UHFFFAOYSA-N 1 2 246.270 0.311 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615478559 368055898 /nfs/dbraw/zinc/05/58/98/368055898.db2.gz MYFPXHWGSDGFDM-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H](C)O ZINC000386719737 368013210 /nfs/dbraw/zinc/01/32/10/368013210.db2.gz RRALEIHCCGJEMB-APPZFPTMSA-N 1 2 235.291 0.935 20 0 BCADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)[C@H](C)O ZINC000386719738 368013346 /nfs/dbraw/zinc/01/33/46/368013346.db2.gz RRALEIHCCGJEMB-CBAPKCEASA-N 1 2 235.291 0.935 20 0 BCADLO CC(C)(C(=O)N1CCOCCN1)c1c[nH+]c[nH]1 ZINC000615499527 368075810 /nfs/dbraw/zinc/07/58/10/368075810.db2.gz MEVIRRTVUAZSRM-UHFFFAOYSA-N 1 2 238.291 0.051 20 0 BCADLO C[C@H](CC(=O)N1CC(O)C1)n1cc[nH+]c1 ZINC000566331855 326034385 /nfs/dbraw/zinc/03/43/85/326034385.db2.gz VSDRLPSTDXCHOD-MRVPVSSYSA-N 1 2 209.249 0.037 20 0 BCADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)O ZINC000387183035 368098357 /nfs/dbraw/zinc/09/83/57/368098357.db2.gz VLUYPVQUTWVUDL-BDAKNGLRSA-N 1 2 211.265 0.159 20 0 BCADLO Cn1c[nH+]cc1CNc1ncc2c(n1)COC2 ZINC000630955768 368149572 /nfs/dbraw/zinc/14/95/72/368149572.db2.gz FNESCOJOJADFQD-UHFFFAOYSA-N 1 2 231.259 0.852 20 0 BCADLO CCCCNC(=O)Cc1noc(C[NH+](C)C)n1 ZINC000030926392 368248377 /nfs/dbraw/zinc/24/83/77/368248377.db2.gz WJWCKARQCXZADH-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000444716991 201625500 /nfs/dbraw/zinc/62/55/00/201625500.db2.gz QYZXZDBECVQXJZ-VIFPVBQESA-N 1 2 240.307 0.807 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nccnc1C ZINC000615708359 368216139 /nfs/dbraw/zinc/21/61/39/368216139.db2.gz CVHGYXJNYYXYHD-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000615708342 368216611 /nfs/dbraw/zinc/21/66/11/368216611.db2.gz CKJNNMCXEDGWEW-JZYVYDRUSA-N 1 2 235.287 0.412 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CCO)CC1 ZINC000566462871 326051296 /nfs/dbraw/zinc/05/12/96/326051296.db2.gz XNYBAKUXENBNFS-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CCO)CC1 ZINC000566462871 326051300 /nfs/dbraw/zinc/05/13/00/326051300.db2.gz XNYBAKUXENBNFS-VIFPVBQESA-N 1 2 237.303 0.620 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCOC1 ZINC000615759533 368274787 /nfs/dbraw/zinc/27/47/87/368274787.db2.gz VFTTZQYSRCPMLE-VIFPVBQESA-N 1 2 221.260 0.262 20 0 BCADLO O=C(N1CCOC1)C1([NH+]2CCOCC2)CCC1 ZINC000615762103 368279802 /nfs/dbraw/zinc/27/98/02/368279802.db2.gz AHJQWCISQOOGBJ-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774228 368449435 /nfs/dbraw/zinc/44/94/35/368449435.db2.gz ZXEQUOLYYHTADA-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774228 368449436 /nfs/dbraw/zinc/44/94/36/368449436.db2.gz ZXEQUOLYYHTADA-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000046774173 368449510 /nfs/dbraw/zinc/44/95/10/368449510.db2.gz KSDKVVXTVUWCSN-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1C ZINC000046774173 368449515 /nfs/dbraw/zinc/44/95/15/368449515.db2.gz KSDKVVXTVUWCSN-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046884482 368452915 /nfs/dbraw/zinc/45/29/15/368452915.db2.gz MVKBVTLISQJGOY-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000057642137 368497784 /nfs/dbraw/zinc/49/77/84/368497784.db2.gz NOBZKOQKVPMFJC-UHFFFAOYSA-N 1 2 240.259 0.244 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000057642137 368497791 /nfs/dbraw/zinc/49/77/91/368497791.db2.gz NOBZKOQKVPMFJC-UHFFFAOYSA-N 1 2 240.259 0.244 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc2c1OCCO2 ZINC000058908277 368524941 /nfs/dbraw/zinc/52/49/41/368524941.db2.gz FGGNUDGGRHKWOM-UHFFFAOYSA-N 1 2 236.271 0.375 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc2c1OCCO2 ZINC000058908277 368524946 /nfs/dbraw/zinc/52/49/46/368524946.db2.gz FGGNUDGGRHKWOM-UHFFFAOYSA-N 1 2 236.271 0.375 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000058953387 368526006 /nfs/dbraw/zinc/52/60/06/368526006.db2.gz NWMUODUIJSIOAD-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)C1CC1 ZINC000566948060 326095977 /nfs/dbraw/zinc/09/59/77/326095977.db2.gz ZXTQGFWKMSRAKK-JTQLQIEISA-N 1 2 237.303 0.097 20 0 BCADLO CSCC(=O)NCCNc1cccc[nH+]1 ZINC000063705772 368593007 /nfs/dbraw/zinc/59/30/07/368593007.db2.gz IYLJNCKKOUYJDK-UHFFFAOYSA-N 1 2 225.317 0.973 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCn2cnnc2C1 ZINC000081542368 368605780 /nfs/dbraw/zinc/60/57/80/368605780.db2.gz FCBCHMCVBLEXPE-QWRGUYRKSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCn2cnnc2C1 ZINC000081542368 368605784 /nfs/dbraw/zinc/60/57/84/368605784.db2.gz FCBCHMCVBLEXPE-QWRGUYRKSA-N 1 2 236.319 0.645 20 0 BCADLO CC[C@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000066042018 368639596 /nfs/dbraw/zinc/63/95/96/368639596.db2.gz NMAJPWXRIYRACS-JTQLQIEISA-N 1 2 225.292 0.814 20 0 BCADLO c1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc1 ZINC000066745660 368659558 /nfs/dbraw/zinc/65/95/58/368659558.db2.gz LPONUADXBVXWFI-LLVKDONJSA-N 1 2 234.303 0.752 20 0 BCADLO c1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)nc1 ZINC000066745660 368659563 /nfs/dbraw/zinc/65/95/63/368659563.db2.gz LPONUADXBVXWFI-LLVKDONJSA-N 1 2 234.303 0.752 20 0 BCADLO CC[C@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000067823409 368701766 /nfs/dbraw/zinc/70/17/66/368701766.db2.gz FBMBXDWRWMHJBP-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCC12COC2 ZINC000615926273 368681109 /nfs/dbraw/zinc/68/11/09/368681109.db2.gz AVZFZIJIDYIIGG-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000068757622 368734989 /nfs/dbraw/zinc/73/49/89/368734989.db2.gz YBGJXUGJXXDWGJ-JTQLQIEISA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000068757622 368734996 /nfs/dbraw/zinc/73/49/96/368734996.db2.gz YBGJXUGJXXDWGJ-JTQLQIEISA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457397013 203054053 /nfs/dbraw/zinc/05/40/53/203054053.db2.gz HOGZCTIHADGNGI-UHFFFAOYSA-N 1 2 224.308 0.918 20 0 BCADLO CC(C)(NC(=O)[C@H](O)C1CC1)c1[nH]cc[nH+]1 ZINC000615952884 368762542 /nfs/dbraw/zinc/76/25/42/368762542.db2.gz IMLKFBGMYGGBRW-MRVPVSSYSA-N 1 2 223.276 0.532 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)C(C)C ZINC000259828875 370946464 /nfs/dbraw/zinc/94/64/64/370946464.db2.gz NYNYNFAXCOPBPW-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)C(C)C ZINC000259828875 370946470 /nfs/dbraw/zinc/94/64/70/370946470.db2.gz NYNYNFAXCOPBPW-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000069324463 368751034 /nfs/dbraw/zinc/75/10/34/368751034.db2.gz VAUYUCOZYZTFES-SECBINFHSA-N 1 2 209.249 0.036 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000074325170 368837059 /nfs/dbraw/zinc/83/70/59/368837059.db2.gz MLFQHUIMCRSRLO-JGVFFNPUSA-N 1 2 211.265 0.760 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000074325170 368837065 /nfs/dbraw/zinc/83/70/65/368837065.db2.gz MLFQHUIMCRSRLO-JGVFFNPUSA-N 1 2 211.265 0.760 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000074323704 368837566 /nfs/dbraw/zinc/83/75/66/368837566.db2.gz HIYPILIIVGCAEV-MRVPVSSYSA-N 1 2 241.316 0.173 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000074323704 368837569 /nfs/dbraw/zinc/83/75/69/368837569.db2.gz HIYPILIIVGCAEV-MRVPVSSYSA-N 1 2 241.316 0.173 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](O)C1CC1 ZINC000615960475 368793764 /nfs/dbraw/zinc/79/37/64/368793764.db2.gz LPHRXORZAIWANC-WCBMZHEXSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615994352 368861011 /nfs/dbraw/zinc/86/10/11/368861011.db2.gz TYFILYFFXXJSMM-GMTAPVOTSA-N 1 2 249.314 0.427 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1[C@@H](C)O ZINC000618926406 368901572 /nfs/dbraw/zinc/90/15/72/368901572.db2.gz YZTJNUJXDUJPTF-MWLCHTKSSA-N 1 2 237.303 0.632 20 0 BCADLO O=C([O-])[C@H]1COCCN1CCCn1cc[nH+]c1 ZINC000088380884 368912647 /nfs/dbraw/zinc/91/26/47/368912647.db2.gz FTNHBZRJTVUQGM-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO O=C([O-])[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000088380884 368912649 /nfs/dbraw/zinc/91/26/49/368912649.db2.gz FTNHBZRJTVUQGM-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO O=C([O-])[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000088380884 368912650 /nfs/dbraw/zinc/91/26/50/368912650.db2.gz FTNHBZRJTVUQGM-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1cc(C)c(CNC(=O)C[C@@H]2CC(=O)N2)c[nH+]1 ZINC000616114662 368960092 /nfs/dbraw/zinc/96/00/92/368960092.db2.gz BPVWEBUAYRNNHY-LLVKDONJSA-N 1 2 247.298 0.593 20 0 BCADLO CCOC(=O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000091552509 369013653 /nfs/dbraw/zinc/01/36/53/369013653.db2.gz QWXISYQIHDGNRU-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000091552509 369013661 /nfs/dbraw/zinc/01/36/61/369013661.db2.gz QWXISYQIHDGNRU-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000091552509 369013667 /nfs/dbraw/zinc/01/36/67/369013667.db2.gz QWXISYQIHDGNRU-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000457501154 203070158 /nfs/dbraw/zinc/07/01/58/203070158.db2.gz DERHARHAZOQFPD-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000457501154 203070162 /nfs/dbraw/zinc/07/01/62/203070162.db2.gz DERHARHAZOQFPD-CMPLNLGQSA-N 1 2 240.347 0.869 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000618703246 369200957 /nfs/dbraw/zinc/20/09/57/369200957.db2.gz CHSQNGURMCQDCH-GWCFXTLKSA-N 1 2 249.314 0.756 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000618716739 369204081 /nfs/dbraw/zinc/20/40/81/369204081.db2.gz ZEXUZCOCRAGKFS-MFKMUULPSA-N 1 2 249.314 0.458 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cn(C)cn1 ZINC000618905541 369236197 /nfs/dbraw/zinc/23/61/97/369236197.db2.gz QNZBEHWUUKXUPO-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cn(C)cn1 ZINC000618905541 369236201 /nfs/dbraw/zinc/23/62/01/369236201.db2.gz QNZBEHWUUKXUPO-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@](C)=O)N(C)Cc1cn(C)c[nH+]1 ZINC000618905541 369236204 /nfs/dbraw/zinc/23/62/04/369236204.db2.gz QNZBEHWUUKXUPO-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncnn1C(C)C ZINC000567585572 326223736 /nfs/dbraw/zinc/22/37/36/326223736.db2.gz JLUYNUFGSPHGOR-NXEZZACHSA-N 1 2 240.307 0.362 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](CO)CC2CC2)c[nH+]1 ZINC000619045135 369266193 /nfs/dbraw/zinc/26/61/93/369266193.db2.gz YZTSWGDAPFEDHD-JTQLQIEISA-N 1 2 237.303 0.857 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000164629494 203230826 /nfs/dbraw/zinc/23/08/26/203230826.db2.gz CTAOIRGTXPPPFU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000164629494 203230830 /nfs/dbraw/zinc/23/08/30/203230830.db2.gz CTAOIRGTXPPPFU-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1[nH]c(C(=O)NCC(O)(C2CC2)C2CC2)c[nH+]1 ZINC000619028397 369260608 /nfs/dbraw/zinc/26/06/08/369260608.db2.gz SRPJYFXFOPLQEH-UHFFFAOYSA-N 1 2 249.314 0.999 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](O)C23CCC3)c[nH+]1 ZINC000619082584 369278396 /nfs/dbraw/zinc/27/83/96/369278396.db2.gz GZYJAZAXHJEJTM-ZJUUUORDSA-N 1 2 235.287 0.751 20 0 BCADLO CCn1nncc1C[N@@H+]1CCOC(C)(C)C1 ZINC000459294781 203251096 /nfs/dbraw/zinc/25/10/96/203251096.db2.gz LIRXWZWIYSJAMY-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCOC(C)(C)C1 ZINC000459294781 203251100 /nfs/dbraw/zinc/25/11/00/203251100.db2.gz LIRXWZWIYSJAMY-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)C(=O)OC ZINC000619183439 369302592 /nfs/dbraw/zinc/30/25/92/369302592.db2.gz JYLNZWRRIZWLAU-MNOVXSKESA-N 1 2 245.319 0.581 20 0 BCADLO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)C(=O)OC ZINC000619183442 369303190 /nfs/dbraw/zinc/30/31/90/369303190.db2.gz JYLNZWRRIZWLAU-WDEREUQCSA-N 1 2 245.319 0.581 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619369673 369327624 /nfs/dbraw/zinc/32/76/24/369327624.db2.gz VKXLFSXSYTUWJO-UWVGGRQHSA-N 1 2 219.288 0.831 20 0 BCADLO CC[C@](COC)([NH2+]CCSC)C(=O)OC ZINC000459554349 203294852 /nfs/dbraw/zinc/29/48/52/203294852.db2.gz DUIJAQAOXHRVHB-SNVBAGLBSA-N 1 2 235.349 0.907 20 0 BCADLO CC[C@](COC)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000459554314 203296451 /nfs/dbraw/zinc/29/64/51/203296451.db2.gz DMKPLGSQKGPPMW-ZYHUDNBSSA-N 1 2 247.335 0.561 20 0 BCADLO COCCOC1C[NH+](Cc2c[nH]nc2C)C1 ZINC000459454720 203282858 /nfs/dbraw/zinc/28/28/58/203282858.db2.gz FBAPOMGFCNWJFF-UHFFFAOYSA-N 1 2 225.292 0.565 20 0 BCADLO COC(=O)C[N@H+](CCc1cnccn1)C(C)C ZINC000402598208 369388255 /nfs/dbraw/zinc/38/82/55/369388255.db2.gz JCHRBBKBRWVXTA-UHFFFAOYSA-N 1 2 237.303 0.903 20 0 BCADLO COC(=O)C[N@@H+](CCc1cnccn1)C(C)C ZINC000402598208 369388260 /nfs/dbraw/zinc/38/82/60/369388260.db2.gz JCHRBBKBRWVXTA-UHFFFAOYSA-N 1 2 237.303 0.903 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC1CC1 ZINC000623675624 369366063 /nfs/dbraw/zinc/36/60/63/369366063.db2.gz JDOWAYODUJBOLT-NSHDSACASA-N 1 2 241.335 0.416 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC1CC1 ZINC000623675624 369366070 /nfs/dbraw/zinc/36/60/70/369366070.db2.gz JDOWAYODUJBOLT-NSHDSACASA-N 1 2 241.335 0.416 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000401793679 369372172 /nfs/dbraw/zinc/37/21/72/369372172.db2.gz IGWGFZIWJPBNFI-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@](COC)([NH2+]CCCOC)C(=O)OC ZINC000459564394 203304083 /nfs/dbraw/zinc/30/40/83/203304083.db2.gz WGRFDPXPQSANMV-LLVKDONJSA-N 1 2 233.308 0.581 20 0 BCADLO CCSCC[NH+]1CC(NC(=O)C2CC2)C1 ZINC000459618301 203318891 /nfs/dbraw/zinc/31/88/91/203318891.db2.gz MTOGYUUAHGRQNO-UHFFFAOYSA-N 1 2 228.361 0.950 20 0 BCADLO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)C(=O)OC ZINC000404178778 369421456 /nfs/dbraw/zinc/42/14/56/369421456.db2.gz AJLHKOJPKCZZBW-ONGXEEELSA-N 1 2 231.292 0.069 20 0 BCADLO CCc1ccc(C[NH+]2CC(O)(COC)C2)cn1 ZINC000459639567 203326373 /nfs/dbraw/zinc/32/63/73/203326373.db2.gz PARGYSWOKFQOIV-UHFFFAOYSA-N 1 2 236.315 0.837 20 0 BCADLO COCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619512855 369454065 /nfs/dbraw/zinc/45/40/65/369454065.db2.gz ACXGRXSOFWMIBY-IUCAKERBSA-N 1 2 219.256 0.608 20 0 BCADLO COCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619512855 369454067 /nfs/dbraw/zinc/45/40/67/369454067.db2.gz ACXGRXSOFWMIBY-IUCAKERBSA-N 1 2 219.256 0.608 20 0 BCADLO CC[C@@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511308 369454516 /nfs/dbraw/zinc/45/45/16/369454516.db2.gz RYHNRAHIANNQLJ-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511308 369454523 /nfs/dbraw/zinc/45/45/23/369454523.db2.gz RYHNRAHIANNQLJ-VIFPVBQESA-N 1 2 211.265 0.793 20 0 BCADLO CC[C@@H](O)CC(=O)NCCc1c[nH+]cn1C ZINC000622504167 370967252 /nfs/dbraw/zinc/96/72/52/370967252.db2.gz QSRHMOUUSYZXKE-SNVBAGLBSA-N 1 2 225.292 0.240 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC1(F)F ZINC000622504100 370967395 /nfs/dbraw/zinc/96/73/95/370967395.db2.gz NXFPVTNKKRGQLI-MRVPVSSYSA-N 1 2 229.230 0.734 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccsn1 ZINC000622504282 370967469 /nfs/dbraw/zinc/96/74/69/370967469.db2.gz UUJRCOUOCBVHSK-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1CC(C)(O)C1 ZINC000622504302 370967699 /nfs/dbraw/zinc/96/76/99/370967699.db2.gz VEXWTRXNGDFRPJ-UHFFFAOYSA-N 1 2 237.303 0.240 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000166081124 203387150 /nfs/dbraw/zinc/38/71/50/203387150.db2.gz LPFRBEJZHPMVDX-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000166081124 203387153 /nfs/dbraw/zinc/38/71/53/203387153.db2.gz LPFRBEJZHPMVDX-BDAKNGLRSA-N 1 2 225.292 0.835 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCCO)C(C)(C)C ZINC000305045414 369587886 /nfs/dbraw/zinc/58/78/86/369587886.db2.gz ATAZSYXFIGTWNO-MRVPVSSYSA-N 1 2 203.282 0.546 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000567963086 326288656 /nfs/dbraw/zinc/28/86/56/326288656.db2.gz MEDQXSXGOCOXQS-SCZZXKLOSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000567963086 326288657 /nfs/dbraw/zinc/28/86/57/326288657.db2.gz MEDQXSXGOCOXQS-SCZZXKLOSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@@H](O)C1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000620061960 369694749 /nfs/dbraw/zinc/69/47/49/369694749.db2.gz ZZAJPCDKMVVEFP-NXEZZACHSA-N 1 2 249.314 0.475 20 0 BCADLO CC1(C)OCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000620513712 369903405 /nfs/dbraw/zinc/90/34/05/369903405.db2.gz RWGNGHZJFGVCCI-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](NC(=O)C1(O)CCCC1)c1[nH+]ccn1C ZINC000620604489 369952914 /nfs/dbraw/zinc/95/29/14/369952914.db2.gz UNBVROPEGLIXHN-SECBINFHSA-N 1 2 237.303 0.902 20 0 BCADLO Cc1cc(CC(=O)N[C@@H](C)c2[nH+]ccn2C)n[nH]1 ZINC000620604957 369953298 /nfs/dbraw/zinc/95/32/98/369953298.db2.gz YIXJCDAMGRJYFO-VIFPVBQESA-N 1 2 247.302 0.872 20 0 BCADLO Cc1noc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000620606462 369954192 /nfs/dbraw/zinc/95/41/92/369954192.db2.gz TYLVCDSGINAQGZ-ZCFIWIBFSA-N 1 2 235.247 0.603 20 0 BCADLO CC(C)[C@@H](O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620608417 369956678 /nfs/dbraw/zinc/95/66/78/369956678.db2.gz NVTMNBKOWZTCBY-RKDXNWHRSA-N 1 2 225.292 0.614 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620608414 369957372 /nfs/dbraw/zinc/95/73/72/369957372.db2.gz NVTMNBKOWZTCBY-BDAKNGLRSA-N 1 2 225.292 0.614 20 0 BCADLO CC(=O)NCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620647707 369972765 /nfs/dbraw/zinc/97/27/65/369972765.db2.gz IWBYXABTSQSDKM-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000251837630 369974685 /nfs/dbraw/zinc/97/46/85/369974685.db2.gz QMPKSBZHBTTWLP-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](CC)C1 ZINC000251837630 369974688 /nfs/dbraw/zinc/97/46/88/369974688.db2.gz QMPKSBZHBTTWLP-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000620547493 369912282 /nfs/dbraw/zinc/91/22/82/369912282.db2.gz BPWLMIYACKNQMP-MRGUHSIWSA-N 1 2 249.314 0.817 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000620548007 369913052 /nfs/dbraw/zinc/91/30/52/369913052.db2.gz LPZOGBSNENJPCR-SKDRFNHKSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCCO1)c1[nH+]ccn1C ZINC000620592578 369945645 /nfs/dbraw/zinc/94/56/45/369945645.db2.gz OKGXAKAAHQBWFT-DTWKUNHWSA-N 1 2 223.276 0.776 20 0 BCADLO C[C@H](NC(=O)c1cocn1)c1[nH+]ccn1C ZINC000620594104 369946626 /nfs/dbraw/zinc/94/66/26/369946626.db2.gz BMDYNUFBLQIDSQ-ZETCQYMHSA-N 1 2 220.232 0.899 20 0 BCADLO C[C@H](NC(=O)c1ccn(C)n1)c1[nH+]ccn1C ZINC000620595119 369948085 /nfs/dbraw/zinc/94/80/85/369948085.db2.gz IOWARWTZXCWEIG-QMMMGPOBSA-N 1 2 233.275 0.645 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000620871579 370023213 /nfs/dbraw/zinc/02/32/13/370023213.db2.gz XHUIUJVLZQTBRR-MGCOHNPYSA-N 1 2 231.255 0.587 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC(=O)N1 ZINC000074896641 370053987 /nfs/dbraw/zinc/05/39/87/370053987.db2.gz CTJQKGSSUGIFFH-SECBINFHSA-N 1 2 244.254 0.551 20 0 BCADLO CCc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000075782105 370171814 /nfs/dbraw/zinc/17/18/14/370171814.db2.gz OWUSNLNSYWIDOW-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000075782105 370171820 /nfs/dbraw/zinc/17/18/20/370171820.db2.gz OWUSNLNSYWIDOW-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO C[N@@H+]1CCOC[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215835 370161157 /nfs/dbraw/zinc/16/11/57/370161157.db2.gz VGVPYYGUCVDMNI-YZRBJQDESA-N 1 2 224.304 0.328 20 0 BCADLO C[N@H+]1CCOC[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000621215835 370161159 /nfs/dbraw/zinc/16/11/59/370161159.db2.gz VGVPYYGUCVDMNI-YZRBJQDESA-N 1 2 224.304 0.328 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC2CC1(C)C2 ZINC000621216519 370162139 /nfs/dbraw/zinc/16/21/39/370162139.db2.gz QGLIFOJSRQKFQE-UHFFFAOYSA-N 1 2 219.288 0.974 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CO)ccn1 ZINC000621287511 370215730 /nfs/dbraw/zinc/21/57/30/370215730.db2.gz QXCKNZGCCXIZPO-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2CO)ccn1 ZINC000621287511 370215737 /nfs/dbraw/zinc/21/57/37/370215737.db2.gz QXCKNZGCCXIZPO-GFCCVEGCSA-N 1 2 222.288 0.583 20 0 BCADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295373 370217698 /nfs/dbraw/zinc/21/76/98/370217698.db2.gz HEWDTNKAOOILDC-SFYZADRCSA-N 1 2 240.332 0.796 20 0 BCADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295373 370217703 /nfs/dbraw/zinc/21/77/03/370217703.db2.gz HEWDTNKAOOILDC-SFYZADRCSA-N 1 2 240.332 0.796 20 0 BCADLO CO[C@@H](C)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621297530 370224710 /nfs/dbraw/zinc/22/47/10/370224710.db2.gz RNSUXWCENUJRST-LURJTMIESA-N 1 2 249.274 0.455 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1O ZINC000621261671 370194781 /nfs/dbraw/zinc/19/47/81/370194781.db2.gz ZGVCYYSIMAEEPR-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@@H]1O ZINC000621261671 370194786 /nfs/dbraw/zinc/19/47/86/370194786.db2.gz ZGVCYYSIMAEEPR-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO Cc1cc(N2Cc3nn(C)c(N)c3C2)nc[nH+]1 ZINC000621325973 370255656 /nfs/dbraw/zinc/25/56/56/370255656.db2.gz SSLQOKLKLQXOAS-UHFFFAOYSA-N 1 2 230.275 0.621 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000076416748 370283826 /nfs/dbraw/zinc/28/38/26/370283826.db2.gz UOZDVLJOQNNPGA-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCNC(=O)[C@H]1CC ZINC000076416748 370283829 /nfs/dbraw/zinc/28/38/29/370283829.db2.gz UOZDVLJOQNNPGA-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCn1cnnc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568218854 326327964 /nfs/dbraw/zinc/32/79/64/326327964.db2.gz DDNCXAHCLLCLLL-UHFFFAOYSA-N 1 2 237.307 0.578 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)[nH]1 ZINC000621371442 370308239 /nfs/dbraw/zinc/30/82/39/370308239.db2.gz DGABMVOIOZLZDK-ZJUUUORDSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)[nH]1 ZINC000621371442 370308242 /nfs/dbraw/zinc/30/82/42/370308242.db2.gz DGABMVOIOZLZDK-ZJUUUORDSA-N 1 2 238.335 0.817 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1nccnc1C ZINC000621710260 370456304 /nfs/dbraw/zinc/45/63/04/370456304.db2.gz ZHJMPNIDXDOACX-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1nccnc1C ZINC000621710260 370456305 /nfs/dbraw/zinc/45/63/05/370456305.db2.gz ZHJMPNIDXDOACX-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nccnc1C ZINC000621711675 370457776 /nfs/dbraw/zinc/45/77/76/370457776.db2.gz CPDLLHQHKAZAPR-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nccnc1C ZINC000621711675 370457780 /nfs/dbraw/zinc/45/77/80/370457780.db2.gz CPDLLHQHKAZAPR-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1nccnc1C[N@@H+](CC(N)=O)CC(C)C ZINC000621712129 370458751 /nfs/dbraw/zinc/45/87/51/370458751.db2.gz TXRWHWWZBRPWEH-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1nccnc1C[N@H+](CC(N)=O)CC(C)C ZINC000621712129 370458757 /nfs/dbraw/zinc/45/87/57/370458757.db2.gz TXRWHWWZBRPWEH-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO CCOc1cncc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000621715221 370463449 /nfs/dbraw/zinc/46/34/49/370463449.db2.gz OHNWVNUGZKGHIK-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CCOc1cncc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000621715221 370463451 /nfs/dbraw/zinc/46/34/51/370463451.db2.gz OHNWVNUGZKGHIK-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2C)C1 ZINC000621772468 370516284 /nfs/dbraw/zinc/51/62/84/370516284.db2.gz DLJNAIPGJLGTQE-GZMMTYOYSA-N 1 2 236.319 0.990 20 0 BCADLO CCOc1cncc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000621730300 370482831 /nfs/dbraw/zinc/48/28/31/370482831.db2.gz HLWHYNMZKWIOTD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO CCOc1cncc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000621730300 370482834 /nfs/dbraw/zinc/48/28/34/370482834.db2.gz HLWHYNMZKWIOTD-GFCCVEGCSA-N 1 2 249.314 0.930 20 0 BCADLO Cc1cc(N[C@@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000078638142 370583840 /nfs/dbraw/zinc/58/38/40/370583840.db2.gz GFPRCRAYMJNKGI-QMMMGPOBSA-N 1 2 229.305 0.630 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621945268 370613569 /nfs/dbraw/zinc/61/35/69/370613569.db2.gz IZDDOKHQRZWWDH-SECBINFHSA-N 1 2 239.319 0.820 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2cnnn2C)c[nH+]1 ZINC000622667719 371047601 /nfs/dbraw/zinc/04/76/01/371047601.db2.gz PWUWUQSZTQCIMT-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@H](C)O)c[nH+]1 ZINC000622667593 371047704 /nfs/dbraw/zinc/04/77/04/371047704.db2.gz MCYUGXXQBIUVIS-VIFPVBQESA-N 1 2 208.261 0.695 20 0 BCADLO CN(C)[C@H](C(=O)NCCF)c1c[nH+]cn1C ZINC000622578255 371004607 /nfs/dbraw/zinc/00/46/07/371004607.db2.gz SBYHFQKDEUATSC-VIFPVBQESA-N 1 2 228.271 0.109 20 0 BCADLO COc1cc(NC(=O)Cn2cc[nH+]c2)ccn1 ZINC000622605813 371012007 /nfs/dbraw/zinc/01/20/07/371012007.db2.gz AROQJDRJNNELMR-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CC(C)c1nc(CNC(=O)C[NH+](C)C)n[nH]1 ZINC000622634309 371026403 /nfs/dbraw/zinc/02/64/03/371026403.db2.gz HQYHZKUGVPHVPU-UHFFFAOYSA-N 1 2 225.296 0.106 20 0 BCADLO C[C@@H](O)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622684087 371061085 /nfs/dbraw/zinc/06/10/85/371061085.db2.gz SGWMSELCCQEERV-ZCFIWIBFSA-N 1 2 229.305 0.524 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cncn2C)c1 ZINC000622685701 371062159 /nfs/dbraw/zinc/06/21/59/371062159.db2.gz GGEYPSLHHGNSSY-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO CCn1ccnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685766 371062623 /nfs/dbraw/zinc/06/26/23/371062623.db2.gz JTBPZJZOAJASFO-UHFFFAOYSA-N 1 2 247.302 0.609 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685722 371062898 /nfs/dbraw/zinc/06/28/98/371062898.db2.gz HJVVOKUAVXJOLI-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)nn1C ZINC000622686073 371063860 /nfs/dbraw/zinc/06/38/60/371063860.db2.gz YEZRBRBJZDSURI-UHFFFAOYSA-N 1 2 247.302 0.435 20 0 BCADLO Cn1cnc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000622685902 371064037 /nfs/dbraw/zinc/06/40/37/371064037.db2.gz PJZPVQZGOSDRKP-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCCO2)c1 ZINC000622686087 371064240 /nfs/dbraw/zinc/06/42/40/371064240.db2.gz YRUQHQVZAGZDTC-NSHDSACASA-N 1 2 237.303 0.648 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CC(C)(C)O)c1 ZINC000622686036 371064379 /nfs/dbraw/zinc/06/43/79/371064379.db2.gz WSARLBVCKXBOND-UHFFFAOYSA-N 1 2 225.292 0.240 20 0 BCADLO Cn1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)n1 ZINC000623841001 371123006 /nfs/dbraw/zinc/12/30/06/371123006.db2.gz LNKWXGZBVDHEIL-GFCCVEGCSA-N 1 2 248.330 0.663 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623989486 371221070 /nfs/dbraw/zinc/22/10/70/371221070.db2.gz ZIJPTCAFZLJYRZ-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO CC[C@@H]1C[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623989486 371221074 /nfs/dbraw/zinc/22/10/74/371221074.db2.gz ZIJPTCAFZLJYRZ-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C(C)(C)CO ZINC000124807520 371238152 /nfs/dbraw/zinc/23/81/52/371238152.db2.gz RVGGTKJJFICOPI-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C(C)(C)CO ZINC000124807520 371238157 /nfs/dbraw/zinc/23/81/57/371238157.db2.gz RVGGTKJJFICOPI-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO COc1nc(C(=O)NCCn2cc[nH+]c2)co1 ZINC000624075643 371293858 /nfs/dbraw/zinc/29/38/58/371293858.db2.gz QIWKDBDEHNHDON-UHFFFAOYSA-N 1 2 236.231 0.310 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C12CC(C1)C2 ZINC000624075611 371294613 /nfs/dbraw/zinc/29/46/13/371294613.db2.gz ODSFJFHHTYJAHU-UHFFFAOYSA-N 1 2 205.261 0.799 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624124542 371326398 /nfs/dbraw/zinc/32/63/98/371326398.db2.gz FPKHKUOPRTVGAB-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624124542 371326404 /nfs/dbraw/zinc/32/64/04/371326404.db2.gz FPKHKUOPRTVGAB-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)[nH]cn1 ZINC000624156232 371350724 /nfs/dbraw/zinc/35/07/24/371350724.db2.gz VPJZHLBPABEWHS-MRVPVSSYSA-N 1 2 247.258 0.197 20 0 BCADLO C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000624229613 371416922 /nfs/dbraw/zinc/41/69/22/371416922.db2.gz ZWUHMCJWYMCWBA-VHSXEESVSA-N 1 2 241.360 0.860 20 0 BCADLO C[C@H](NCC[N@H+]1CC[C@@H](O)C1)c1nccs1 ZINC000624229613 371416929 /nfs/dbraw/zinc/41/69/29/371416929.db2.gz ZWUHMCJWYMCWBA-VHSXEESVSA-N 1 2 241.360 0.860 20 0 BCADLO CCOC1CC[NH+](Cc2nnnn2C)CC1 ZINC000624191202 371379982 /nfs/dbraw/zinc/37/99/82/371379982.db2.gz XRUAPHXUKROGOQ-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@H](c1cn[nH]c1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624251972 371437910 /nfs/dbraw/zinc/43/79/10/371437910.db2.gz YHLPERUHNYBOLC-SCZZXKLOSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@H](c1cn[nH]c1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624251972 371437913 /nfs/dbraw/zinc/43/79/13/371437913.db2.gz YHLPERUHNYBOLC-SCZZXKLOSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252405 371438463 /nfs/dbraw/zinc/43/84/63/371438463.db2.gz FTMTUNDYWOQHJE-CMPLNLGQSA-N 1 2 249.314 0.719 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624252405 371438466 /nfs/dbraw/zinc/43/84/66/371438466.db2.gz FTMTUNDYWOQHJE-CMPLNLGQSA-N 1 2 249.314 0.719 20 0 BCADLO O=C([C@@H](O)C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373137 371591344 /nfs/dbraw/zinc/59/13/44/371591344.db2.gz IXZPYVGYVPWWGU-NSHDSACASA-N 1 2 235.287 0.455 20 0 BCADLO O=C([C@@H](O)C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373137 371591353 /nfs/dbraw/zinc/59/13/53/371591353.db2.gz IXZPYVGYVPWWGU-NSHDSACASA-N 1 2 235.287 0.455 20 0 BCADLO CC[C@](C)(CO)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373011 371591719 /nfs/dbraw/zinc/59/17/19/371591719.db2.gz CXEKHNHTDPCQEW-GFCCVEGCSA-N 1 2 237.303 0.703 20 0 BCADLO CC[C@](C)(CO)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373011 371591722 /nfs/dbraw/zinc/59/17/22/371591722.db2.gz CXEKHNHTDPCQEW-GFCCVEGCSA-N 1 2 237.303 0.703 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(C1CC1)C1COC1 ZINC000295872609 181834906 /nfs/dbraw/zinc/83/49/06/181834906.db2.gz XWOIFKHDZYBWAA-DAFODLJHSA-N 1 2 233.271 0.813 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000163410989 371989714 /nfs/dbraw/zinc/98/97/14/371989714.db2.gz UNXTYHXUNPHUBQ-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000306712254 372058716 /nfs/dbraw/zinc/05/87/16/372058716.db2.gz OQYFBMTURUZXQC-SSDOTTSWSA-N 1 2 211.183 0.575 20 0 BCADLO CC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000306712254 372058724 /nfs/dbraw/zinc/05/87/24/372058724.db2.gz OQYFBMTURUZXQC-SSDOTTSWSA-N 1 2 211.183 0.575 20 0 BCADLO O=c1ccc(C[NH2+]CC(F)(F)CO)c[nH]1 ZINC000631113901 372203412 /nfs/dbraw/zinc/20/34/12/372203412.db2.gz SJNWNRCSUAWDMM-UHFFFAOYSA-N 1 2 218.203 0.504 20 0 BCADLO COCC1CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000631333475 372300365 /nfs/dbraw/zinc/30/03/65/372300365.db2.gz GDQRYMULBQEBOQ-UHFFFAOYSA-N 1 2 237.307 0.329 20 0 BCADLO COCC1CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000631333475 372300368 /nfs/dbraw/zinc/30/03/68/372300368.db2.gz GDQRYMULBQEBOQ-UHFFFAOYSA-N 1 2 237.307 0.329 20 0 BCADLO Cc1nc(N[C@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000631369208 372319521 /nfs/dbraw/zinc/31/95/21/372319521.db2.gz GAJKYUYVMVRCIF-VIFPVBQESA-N 1 2 220.276 0.722 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@H](CO)C1 ZINC000631430278 372360766 /nfs/dbraw/zinc/36/07/66/372360766.db2.gz RTNKTUWXMHCTNN-KNVOCYPGSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@H](CO)C1 ZINC000631430278 372360773 /nfs/dbraw/zinc/36/07/73/372360773.db2.gz RTNKTUWXMHCTNN-KNVOCYPGSA-N 1 2 224.264 0.250 20 0 BCADLO C[C@H](OCC1CC1)C(=O)N1CC[NH+](C)CC1 ZINC000140081858 372450322 /nfs/dbraw/zinc/45/03/22/372450322.db2.gz REDFHZFTJNVKIO-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1CCC(O)CC1 ZINC000035648472 181952571 /nfs/dbraw/zinc/95/25/71/181952571.db2.gz SRSZWTCKJPZMHH-UHFFFAOYSA-N 1 2 237.303 0.693 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)CCCCO ZINC000631911273 372693504 /nfs/dbraw/zinc/69/35/04/372693504.db2.gz AKFPAUYGFMZUGV-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H]1CCN(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000632142428 372778843 /nfs/dbraw/zinc/77/88/43/372778843.db2.gz CGYQZIHBUVEDPV-QMMMGPOBSA-N 1 2 208.265 0.961 20 0 BCADLO COCC[C@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142678 372778927 /nfs/dbraw/zinc/77/89/27/372778927.db2.gz HBLKQMCZPOCXRN-QMMMGPOBSA-N 1 2 247.320 0.254 20 0 BCADLO c1c[nH+]c(CN2CCN(c3ncccn3)CC2)[nH]1 ZINC000171944322 372837515 /nfs/dbraw/zinc/83/75/15/372837515.db2.gz RCDVABSBJUMOTB-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)NC ZINC000632405110 372923755 /nfs/dbraw/zinc/92/37/55/372923755.db2.gz JGXGWRYLNYKTNC-SSDOTTSWSA-N 1 2 232.309 0.018 20 0 BCADLO O=C(C[C@@H]1CCCC[C@H]1O)NCc1[nH]cc[nH+]1 ZINC000280723452 182017254 /nfs/dbraw/zinc/01/72/54/182017254.db2.gz HONOMPQYOLHYLO-VHSXEESVSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(C[C@H]1CCCCO1)NCc1[nH]cc[nH+]1 ZINC000087263099 182026876 /nfs/dbraw/zinc/02/68/76/182026876.db2.gz KHRATFABDAWDAB-SECBINFHSA-N 1 2 223.276 0.985 20 0 BCADLO CC[C@H](NC(=O)c1c[nH]c(=O)n1C)c1[nH]cc[nH+]1 ZINC000632509716 372978717 /nfs/dbraw/zinc/97/87/17/372978717.db2.gz MPHQKUFGGITGGT-ZETCQYMHSA-N 1 2 249.274 0.730 20 0 BCADLO O=C(Cc1cccc(O)c1)NCCn1cc[nH+]c1 ZINC000042542865 182042324 /nfs/dbraw/zinc/04/23/24/182042324.db2.gz PLGWLWUGVMBBDK-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000632575588 373014198 /nfs/dbraw/zinc/01/41/98/373014198.db2.gz VDCFZCVRACHDAC-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO CCN(CC)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578143 373015259 /nfs/dbraw/zinc/01/52/59/373015259.db2.gz OAXAXCHSTDBFJE-SNVBAGLBSA-N 1 2 229.324 0.057 20 0 BCADLO CCN(CC)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578143 373015264 /nfs/dbraw/zinc/01/52/64/373015264.db2.gz OAXAXCHSTDBFJE-SNVBAGLBSA-N 1 2 229.324 0.057 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)CC1CC1 ZINC000632583571 373018371 /nfs/dbraw/zinc/01/83/71/373018371.db2.gz HNHJKFXIWDBGAA-UHFFFAOYSA-N 1 2 243.332 0.732 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)C1CC1 ZINC000632583645 373019516 /nfs/dbraw/zinc/01/95/16/373019516.db2.gz JZGKEDRTKMFGCT-UHFFFAOYSA-N 1 2 229.305 0.485 20 0 BCADLO Cc1nc(N[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000172762519 373068496 /nfs/dbraw/zinc/06/84/96/373068496.db2.gz GJOFEEWYDQCAJO-QMMMGPOBSA-N 1 2 206.249 0.428 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@](F)(CO)C1 ZINC000408119751 182071284 /nfs/dbraw/zinc/07/12/84/182071284.db2.gz OISLTODCQHPUEV-NSHDSACASA-N 1 2 241.266 0.206 20 0 BCADLO O=C(Cn1ccccc1=O)Nc1cc[nH+]cc1O ZINC000358354013 182067137 /nfs/dbraw/zinc/06/71/37/182067137.db2.gz MUVAOOSKIQHJNK-UHFFFAOYSA-N 1 2 245.238 0.010 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CCCC1 ZINC000286086692 182071143 /nfs/dbraw/zinc/07/11/43/182071143.db2.gz QNUZCCRPBJXHMX-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO O=C(CCc1cnn[nH]1)NCC[N@H+]1CC=CCC1 ZINC000632808925 373156371 /nfs/dbraw/zinc/15/63/71/373156371.db2.gz YHUTXFSUHZYUPQ-UHFFFAOYSA-N 1 2 249.318 0.115 20 0 BCADLO O=C(CCc1cnn[nH]1)NCC[N@@H+]1CC=CCC1 ZINC000632808925 373156377 /nfs/dbraw/zinc/15/63/77/373156377.db2.gz YHUTXFSUHZYUPQ-UHFFFAOYSA-N 1 2 249.318 0.115 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)N(C)C1CC1 ZINC000632750115 373126310 /nfs/dbraw/zinc/12/63/10/373126310.db2.gz QVFPSIDZOLXDDJ-UHFFFAOYSA-N 1 2 244.320 0.181 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@]12CCOC2 ZINC000329755750 182085907 /nfs/dbraw/zinc/08/59/07/182085907.db2.gz YFSGKNIJVMJLCA-PELKAZGASA-N 1 2 234.255 0.574 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000633017412 373252894 /nfs/dbraw/zinc/25/28/94/373252894.db2.gz UYNUROUSBXXDMZ-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO O=C(NC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000291002953 182103861 /nfs/dbraw/zinc/10/38/61/182103861.db2.gz LKRPLISIVNHJGC-UHFFFAOYSA-N 1 2 220.276 0.961 20 0 BCADLO C[C@@H](CNC(=O)c1ccccn1)[NH+]1CCOCC1 ZINC000040509926 373377902 /nfs/dbraw/zinc/37/79/02/373377902.db2.gz OKCJLMVETJXZMV-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633250118 373410122 /nfs/dbraw/zinc/41/01/22/373410122.db2.gz HMLTYDMVKIEYAD-BDAKNGLRSA-N 1 2 240.307 0.975 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC000373742849 182126220 /nfs/dbraw/zinc/12/62/20/182126220.db2.gz SJYNGYQHXSLEIW-ZETCQYMHSA-N 1 2 229.230 0.827 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304874 373462365 /nfs/dbraw/zinc/46/23/65/373462365.db2.gz WVWKUQZYRRLNDC-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCC(=O)N2)c[nH+]1 ZINC000633361401 373495170 /nfs/dbraw/zinc/49/51/70/373495170.db2.gz SGTIJFHWRIDMIW-NSHDSACASA-N 1 2 247.298 0.593 20 0 BCADLO C[C@@H](CC(=O)N(C)C)[NH2+]CC(F)(F)CO ZINC000184699288 205706578 /nfs/dbraw/zinc/70/65/78/205706578.db2.gz WYKGUXATLUOPAT-ZETCQYMHSA-N 1 2 224.251 0.070 20 0 BCADLO O=C(NCCCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330657325 182170503 /nfs/dbraw/zinc/17/05/03/182170503.db2.gz VUSGPWWJIMJUCJ-MRVPVSSYSA-N 1 2 223.276 0.328 20 0 BCADLO O=C(NCCCO)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330657325 182170505 /nfs/dbraw/zinc/17/05/05/182170505.db2.gz VUSGPWWJIMJUCJ-MRVPVSSYSA-N 1 2 223.276 0.328 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCOC2 ZINC000364081162 182178646 /nfs/dbraw/zinc/17/86/46/182178646.db2.gz LMOOPZUMZNFFRP-WCQYABFASA-N 1 2 249.314 0.816 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000113981677 182178887 /nfs/dbraw/zinc/17/88/87/182178887.db2.gz SCDVGZNGFAELSG-UTUOFQBUSA-N 1 2 249.314 0.957 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cnns1 ZINC000049083488 182179006 /nfs/dbraw/zinc/17/90/06/182179006.db2.gz OYRAMKLLAKJHAA-UHFFFAOYSA-N 1 2 237.288 0.555 20 0 BCADLO CN(C)c1cncc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000633864705 373824025 /nfs/dbraw/zinc/82/40/25/373824025.db2.gz OKRBDRGKXUJGHG-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO O=C(NCCF)NCC1([NH+]2CCOCC2)CC1 ZINC000331484233 182180772 /nfs/dbraw/zinc/18/07/72/182180772.db2.gz NTWUQCMFMBMPEO-UHFFFAOYSA-N 1 2 245.298 0.120 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@H](O)C(F)F ZINC000633997479 373881752 /nfs/dbraw/zinc/88/17/52/373881752.db2.gz FHSPZNCDGDLBLV-ZETCQYMHSA-N 1 2 233.218 0.015 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1CC=CC1 ZINC000076939304 182187421 /nfs/dbraw/zinc/18/74/21/182187421.db2.gz ZDFXOYVVUAIJAT-UHFFFAOYSA-N 1 2 224.304 0.401 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnns1 ZINC000357724399 182188640 /nfs/dbraw/zinc/18/86/40/182188640.db2.gz RRRHHPDNCQURKG-UHFFFAOYSA-N 1 2 249.299 0.775 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1ccon1 ZINC000352700263 182188824 /nfs/dbraw/zinc/18/88/24/182188824.db2.gz BHUHYAACIGVJPR-UHFFFAOYSA-N 1 2 232.243 0.912 20 0 BCADLO O=C(NCCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337099100 182192746 /nfs/dbraw/zinc/19/27/46/182192746.db2.gz UJINSJFBTISSSV-UHFFFAOYSA-N 1 2 245.282 0.654 20 0 BCADLO O=C(NCC[NH+]1CCC1)c1ccc2[nH]nnc2c1 ZINC000337592107 182185365 /nfs/dbraw/zinc/18/53/65/182185365.db2.gz NHHCKPCDWIFRGP-UHFFFAOYSA-N 1 2 245.286 0.393 20 0 BCADLO CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)COC1 ZINC000634189126 373997869 /nfs/dbraw/zinc/99/78/69/373997869.db2.gz PLAKJDJAIVTWTE-SECBINFHSA-N 1 2 235.287 0.351 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NC1CC(F)(F)C1 ZINC000277021750 182215529 /nfs/dbraw/zinc/21/55/29/182215529.db2.gz MXSSOJKZBVROSO-UHFFFAOYSA-N 1 2 244.245 0.980 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C(F)(F)C(F)F ZINC000226605963 182215235 /nfs/dbraw/zinc/21/52/35/182215235.db2.gz GXTDECUGIXHTNK-UHFFFAOYSA-N 1 2 239.172 0.900 20 0 BCADLO CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)COC1 ZINC000634191949 374009052 /nfs/dbraw/zinc/00/90/52/374009052.db2.gz AJKGQWVZPMZSGP-UHFFFAOYSA-N 1 2 249.314 0.667 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000128718021 182211584 /nfs/dbraw/zinc/21/15/84/182211584.db2.gz VEDOLJGYLXGLBY-UHFFFAOYSA-N 1 2 204.233 0.710 20 0 BCADLO CCC(=O)N1CC[N@H+](CCCCOC)C1 ZINC000425508454 205900181 /nfs/dbraw/zinc/90/01/81/205900181.db2.gz HVNUEIZJOWLUDF-UHFFFAOYSA-N 1 2 214.309 0.925 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCCCOC)C1 ZINC000425508454 205900185 /nfs/dbraw/zinc/90/01/85/205900185.db2.gz HVNUEIZJOWLUDF-UHFFFAOYSA-N 1 2 214.309 0.925 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cncc(O)c1 ZINC000111739321 182217315 /nfs/dbraw/zinc/21/73/15/182217315.db2.gz SPHDXQCPFHEQOR-UHFFFAOYSA-N 1 2 232.243 0.414 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cncs1 ZINC000340052271 182217395 /nfs/dbraw/zinc/21/73/95/182217395.db2.gz LAUIYWMXGXWKRD-UHFFFAOYSA-N 1 2 222.273 0.770 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cc(F)c[nH]1 ZINC000338891403 182217654 /nfs/dbraw/zinc/21/76/54/182217654.db2.gz HIRWSUUPSYGNOS-UHFFFAOYSA-N 1 2 222.223 0.780 20 0 BCADLO O=C(NC1COC1)c1ccc2[nH+]ccn2c1 ZINC000634256590 374061563 /nfs/dbraw/zinc/06/15/63/374061563.db2.gz RWIIQKAIWSAKBO-UHFFFAOYSA-N 1 2 217.228 0.463 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372742075 182233069 /nfs/dbraw/zinc/23/30/69/182233069.db2.gz PDTREUZWMOBQMW-MNOVXSKESA-N 1 2 249.314 0.333 20 0 BCADLO CN(C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174491048 374231267 /nfs/dbraw/zinc/23/12/67/374231267.db2.gz UYKYXOVXRGPKKW-LLVKDONJSA-N 1 2 241.335 0.465 20 0 BCADLO Cn1nccc1CCOCc1[nH]cc[nH+]1 ZINC000634535965 374294753 /nfs/dbraw/zinc/29/47/53/374294753.db2.gz LZTXWOGUJKRGBE-UHFFFAOYSA-N 1 2 206.249 0.903 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356601954 182270307 /nfs/dbraw/zinc/27/03/07/182270307.db2.gz UNPAFSFSYFNDPG-AEJSXWLSSA-N 1 2 221.260 0.451 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356601954 182270310 /nfs/dbraw/zinc/27/03/10/182270310.db2.gz UNPAFSFSYFNDPG-AEJSXWLSSA-N 1 2 221.260 0.451 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428239358 206055901 /nfs/dbraw/zinc/05/59/01/206055901.db2.gz GKZAARMESBSEDH-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428239358 206055906 /nfs/dbraw/zinc/05/59/06/206055906.db2.gz GKZAARMESBSEDH-VIFPVBQESA-N 1 2 210.281 0.724 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ncn1 ZINC000428234932 206056619 /nfs/dbraw/zinc/05/66/19/206056619.db2.gz FFRGCEUQPAMVTR-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ncn1 ZINC000428234932 206056622 /nfs/dbraw/zinc/05/66/22/206056622.db2.gz FFRGCEUQPAMVTR-JTQLQIEISA-N 1 2 220.276 0.235 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000430135158 206062762 /nfs/dbraw/zinc/06/27/62/206062762.db2.gz FPZIPVNLVIXHGZ-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000430135158 206062767 /nfs/dbraw/zinc/06/27/67/206062767.db2.gz FPZIPVNLVIXHGZ-UHFFFAOYSA-N 1 2 210.281 0.415 20 0 BCADLO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000437034066 206067534 /nfs/dbraw/zinc/06/75/34/206067534.db2.gz DKVKIMSKRXQUKM-BDAKNGLRSA-N 1 2 239.323 0.333 20 0 BCADLO Cc1ccn(CC(=O)NCc2c[nH+]c[nH]2)c(=O)c1 ZINC000446153811 206088050 /nfs/dbraw/zinc/08/80/50/206088050.db2.gz LFVSRIYEAYAZOL-UHFFFAOYSA-N 1 2 246.270 0.196 20 0 BCADLO Cc1ccn(CC(=O)NCc2c[nH]c[nH+]2)c(=O)c1 ZINC000446153811 206088053 /nfs/dbraw/zinc/08/80/53/206088053.db2.gz LFVSRIYEAYAZOL-UHFFFAOYSA-N 1 2 246.270 0.196 20 0 BCADLO Cc1ncccc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000449786590 206100145 /nfs/dbraw/zinc/10/01/45/206100145.db2.gz OWLVSDIYGMBYQP-LBPRGKRZSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000449786590 206100151 /nfs/dbraw/zinc/10/01/51/206100151.db2.gz OWLVSDIYGMBYQP-LBPRGKRZSA-N 1 2 249.358 0.888 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2nc(N(C)C)no2)cn1 ZINC000194720253 206107233 /nfs/dbraw/zinc/10/72/33/206107233.db2.gz GAHSREHKAPRYHY-UHFFFAOYSA-N 1 2 248.290 0.722 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000451588885 206109443 /nfs/dbraw/zinc/10/94/43/206109443.db2.gz SJYMYOQXCZZXLT-KXUCPTDWSA-N 1 2 243.303 0.869 20 0 BCADLO O=C(N[C@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000359138819 182337989 /nfs/dbraw/zinc/33/79/89/182337989.db2.gz COTNEZOTOXMURT-VIFPVBQESA-N 1 2 236.275 0.197 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000194763729 206110323 /nfs/dbraw/zinc/11/03/23/206110323.db2.gz ZCTZQIOLBHPNLJ-VHSXEESVSA-N 1 2 215.293 0.690 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)CC[C@@H]1O ZINC000167262014 206146449 /nfs/dbraw/zinc/14/64/49/206146449.db2.gz KGLGJTCTAMBPBA-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)CC[C@@H]1O ZINC000167262014 206146453 /nfs/dbraw/zinc/14/64/53/206146453.db2.gz KGLGJTCTAMBPBA-WPRPVWTQSA-N 1 2 237.307 0.211 20 0 BCADLO O=C(Nc1ccc2n[nH]nc2c1)[C@H]1CSC[NH2+]1 ZINC000152542765 182362727 /nfs/dbraw/zinc/36/27/27/182362727.db2.gz PJFGYAPIZGRIRM-SECBINFHSA-N 1 2 249.299 0.559 20 0 BCADLO O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CSC[NH2+]1 ZINC000152542765 182362728 /nfs/dbraw/zinc/36/27/28/182362728.db2.gz PJFGYAPIZGRIRM-SECBINFHSA-N 1 2 249.299 0.559 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373402283 170059488 /nfs/dbraw/zinc/05/94/88/170059488.db2.gz IDYWXGBZCVUUMA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO O=C(Nc1cccc(F)c1)[C@H]1COCC[NH2+]1 ZINC000083872043 182369748 /nfs/dbraw/zinc/36/97/48/182369748.db2.gz CRVURLPRBBCAHT-SNVBAGLBSA-N 1 2 224.235 0.753 20 0 BCADLO O=C(Nc1ccsc1)[C@@H]1COCC[NH2+]1 ZINC000085535111 182390208 /nfs/dbraw/zinc/39/02/08/182390208.db2.gz NDCDNCVPKBSOES-QMMMGPOBSA-N 1 2 212.274 0.675 20 0 BCADLO O=C(Nc1cccnc1)[C@@H]1COCC[NH2+]1 ZINC000083871960 182383582 /nfs/dbraw/zinc/38/35/82/182383582.db2.gz RNNDQSZPARZYJW-VIFPVBQESA-N 1 2 207.233 0.009 20 0 BCADLO O=C(Nc1cccnc1)[C@H]1CSC[NH2+]1 ZINC000019484064 182384067 /nfs/dbraw/zinc/38/40/67/182384067.db2.gz RQIFPEXKFVMVRG-MRVPVSSYSA-N 1 2 209.274 0.683 20 0 BCADLO CCOC(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000041366903 170246688 /nfs/dbraw/zinc/24/66/88/170246688.db2.gz TYENBLKIBSTFBQ-MRVPVSSYSA-N 1 2 201.266 0.395 20 0 BCADLO CCC(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178724023 134310471 /nfs/dbraw/zinc/31/04/71/134310471.db2.gz JZIBGVPCZKIGQB-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO OC1CN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302917513 183031152 /nfs/dbraw/zinc/03/11/52/183031152.db2.gz XAKDZLHJHZJJFB-UHFFFAOYSA-N 1 2 220.276 0.258 20 0 BCADLO OC1CN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302917513 183031153 /nfs/dbraw/zinc/03/11/53/183031153.db2.gz XAKDZLHJHZJJFB-UHFFFAOYSA-N 1 2 220.276 0.258 20 0 BCADLO O=C1NCCN1CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000329684887 183025894 /nfs/dbraw/zinc/02/58/94/183025894.db2.gz ZRZVAYFPKPVWEB-SNVBAGLBSA-N 1 2 249.318 0.776 20 0 BCADLO O=C1NCCN1CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000329684887 183025898 /nfs/dbraw/zinc/02/58/98/183025898.db2.gz ZRZVAYFPKPVWEB-SNVBAGLBSA-N 1 2 249.318 0.776 20 0 BCADLO O=c1[nH]nc(C2CC[NH+](CCCO)CC2)[nH]1 ZINC000377582675 183053876 /nfs/dbraw/zinc/05/38/76/183053876.db2.gz JVEDHJBZJSYGML-UHFFFAOYSA-N 1 2 226.280 0.072 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000336690538 183064596 /nfs/dbraw/zinc/06/45/96/183064596.db2.gz FZISLPLKSQKJFW-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000336690538 183064597 /nfs/dbraw/zinc/06/45/97/183064597.db2.gz FZISLPLKSQKJFW-VIFPVBQESA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](Cc1nnc(C2CC2)[nH]1)CC1CC1 ZINC000352485154 183072709 /nfs/dbraw/zinc/07/27/09/183072709.db2.gz YJECISJXHMXWOD-UHFFFAOYSA-N 1 2 236.319 0.886 20 0 BCADLO OCC[N@H+](Cc1nnc(C2CC2)[nH]1)CC1CC1 ZINC000352485154 183072712 /nfs/dbraw/zinc/07/27/12/183072712.db2.gz YJECISJXHMXWOD-UHFFFAOYSA-N 1 2 236.319 0.886 20 0 BCADLO OCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000363741010 183073074 /nfs/dbraw/zinc/07/30/74/183073074.db2.gz YEVHFASVYSMYTL-UHFFFAOYSA-N 1 2 211.236 0.321 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1c[nH]cn1 ZINC000355085217 183098761 /nfs/dbraw/zinc/09/87/61/183098761.db2.gz XMHPICMDLDXAQR-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1c[nH]cn1 ZINC000355085217 183098762 /nfs/dbraw/zinc/09/87/62/183098762.db2.gz XMHPICMDLDXAQR-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@H]1CSCC[N@@H+]1Cc1cnc[nH]1 ZINC000355085217 183098764 /nfs/dbraw/zinc/09/87/64/183098764.db2.gz XMHPICMDLDXAQR-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OCC[C@H]1CSCC[N@H+]1Cc1cnc[nH]1 ZINC000355085217 183098765 /nfs/dbraw/zinc/09/87/65/183098765.db2.gz XMHPICMDLDXAQR-JTQLQIEISA-N 1 2 227.333 0.710 20 0 BCADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ncc[nH]1 ZINC000336733186 183102895 /nfs/dbraw/zinc/10/28/95/183102895.db2.gz MEIRXEOFPAWBJT-ZCFIWIBFSA-N 1 2 223.198 0.813 20 0 BCADLO OC[C@@]1(F)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000338594598 183135192 /nfs/dbraw/zinc/13/51/92/183135192.db2.gz PUBMIEGSYHPEDE-RNFRBKRXSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000338594598 183135193 /nfs/dbraw/zinc/13/51/93/183135193.db2.gz PUBMIEGSYHPEDE-RNFRBKRXSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000332666494 183152150 /nfs/dbraw/zinc/15/21/50/183152150.db2.gz DBXXSXMMKVMJCD-MRVPVSSYSA-N 1 2 246.261 0.500 20 0 BCADLO OC[C@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000332666494 183152153 /nfs/dbraw/zinc/15/21/53/183152153.db2.gz DBXXSXMMKVMJCD-MRVPVSSYSA-N 1 2 246.261 0.500 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000271190306 183155552 /nfs/dbraw/zinc/15/55/52/183155552.db2.gz PEYWGGPFLVKMNE-GFCCVEGCSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000271190306 183155553 /nfs/dbraw/zinc/15/55/53/183155553.db2.gz PEYWGGPFLVKMNE-GFCCVEGCSA-N 1 2 247.298 0.756 20 0 BCADLO OC[C@]1(F)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000338594600 183157277 /nfs/dbraw/zinc/15/72/77/183157277.db2.gz PUBMIEGSYHPEDE-RQJHMYQMSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@]1(F)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000338594600 183157280 /nfs/dbraw/zinc/15/72/80/183157280.db2.gz PUBMIEGSYHPEDE-RQJHMYQMSA-N 1 2 231.189 0.316 20 0 BCADLO OC[C@]1(F)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000287104896 183157789 /nfs/dbraw/zinc/15/77/89/183157789.db2.gz WMCLTWWEPIZCRW-JTQLQIEISA-N 1 2 213.256 0.706 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1n[nH]c(C)n1 ZINC000330904027 169075388 /nfs/dbraw/zinc/07/53/88/169075388.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1n[nH]c(C)n1 ZINC000330904027 169075390 /nfs/dbraw/zinc/07/53/90/169075390.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1nnc(C)[nH]1 ZINC000330904027 169075392 /nfs/dbraw/zinc/07/53/92/169075392.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1nnc(C)[nH]1 ZINC000330904027 169075393 /nfs/dbraw/zinc/07/53/93/169075393.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1nc(C)n[nH]1 ZINC000330904027 169075394 /nfs/dbraw/zinc/07/53/94/169075394.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1nc(C)n[nH]1 ZINC000330904027 169075398 /nfs/dbraw/zinc/07/53/98/169075398.db2.gz MAKVRHZREJEVQM-UHFFFAOYSA-N 1 2 211.269 0.393 20 0 BCADLO O[C@H](C[N@@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000121839823 183221319 /nfs/dbraw/zinc/22/13/19/183221319.db2.gz ZJMRHGULQZJKHD-MRVPVSSYSA-N 1 2 235.209 0.691 20 0 BCADLO O[C@H](C[N@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000121839823 183221321 /nfs/dbraw/zinc/22/13/21/183221321.db2.gz ZJMRHGULQZJKHD-MRVPVSSYSA-N 1 2 235.209 0.691 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)OCC ZINC000043638810 169093156 /nfs/dbraw/zinc/09/31/56/169093156.db2.gz CKRLJQKKMJLYFO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)OCC ZINC000043638810 169093157 /nfs/dbraw/zinc/09/31/57/169093157.db2.gz CKRLJQKKMJLYFO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1ccn(C)n1 ZINC000270769649 169094454 /nfs/dbraw/zinc/09/44/54/169094454.db2.gz HLCIYSZEHLPCBS-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1ccn(C)n1 ZINC000270769649 169094455 /nfs/dbraw/zinc/09/44/55/169094455.db2.gz HLCIYSZEHLPCBS-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO O[C@H]1C[NH+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000278418069 183243182 /nfs/dbraw/zinc/24/31/82/183243182.db2.gz RDEDNNSGKHRXMN-QWRGUYRKSA-N 1 2 247.216 0.641 20 0 BCADLO O[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1O ZINC000236607041 183243362 /nfs/dbraw/zinc/24/33/62/183243362.db2.gz BTMBCNDMLGYYFA-OCAPTIKFSA-N 1 2 248.204 0.642 20 0 BCADLO O[C@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000236591767 183243978 /nfs/dbraw/zinc/24/39/78/183243978.db2.gz PYIVXRCMPIAQJS-QWRGUYRKSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cccnc2Cl)C[C@@H]1O ZINC000086331291 183244138 /nfs/dbraw/zinc/24/41/38/183244138.db2.gz QUNMVCJIVZEQKO-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cccnc2Cl)C[C@@H]1O ZINC000086331291 183244139 /nfs/dbraw/zinc/24/41/39/183244139.db2.gz QUNMVCJIVZEQKO-DTORHVGOSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@H]1C[NH+](Cc2ccc(F)cc2F)C[C@@H]1O ZINC000236593316 183244192 /nfs/dbraw/zinc/24/41/92/183244192.db2.gz UQWFNACBUJJILP-QWRGUYRKSA-N 1 2 229.226 0.502 20 0 BCADLO CCCN(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000378440791 169116809 /nfs/dbraw/zinc/11/68/09/169116809.db2.gz CKAWUJMHYUEOAS-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCN(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000378440791 169116810 /nfs/dbraw/zinc/11/68/10/169116810.db2.gz CKAWUJMHYUEOAS-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000294813033 183245459 /nfs/dbraw/zinc/24/54/59/183245459.db2.gz OCAMVFHOYLQYAO-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000294813033 183245461 /nfs/dbraw/zinc/24/54/61/183245461.db2.gz OCAMVFHOYLQYAO-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000295786849 183245687 /nfs/dbraw/zinc/24/56/87/183245687.db2.gz ZJFJEWQIUBMMEE-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000295786849 183245688 /nfs/dbraw/zinc/24/56/88/183245688.db2.gz ZJFJEWQIUBMMEE-SNVBAGLBSA-N 1 2 242.706 0.928 20 0 BCADLO O[C@H]1CCC[N@H+](Cc2ncnn2CCF)CC1 ZINC000331674438 183234998 /nfs/dbraw/zinc/23/49/98/183234998.db2.gz SJJPTCZZSIQXNN-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO O[C@H]1CCC[N@@H+](Cc2ncnn2CCF)CC1 ZINC000331674438 183235001 /nfs/dbraw/zinc/23/50/01/183235001.db2.gz SJJPTCZZSIQXNN-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO CCC[N@H+](CCO)Cc1noc(COC)n1 ZINC000305847680 169167687 /nfs/dbraw/zinc/16/76/87/169167687.db2.gz IWAFJWZECAGMEA-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO CCC[N@@H+](CCO)Cc1noc(COC)n1 ZINC000305847680 169167688 /nfs/dbraw/zinc/16/76/88/169167688.db2.gz IWAFJWZECAGMEA-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@]3(C2)CCCOC3)[nH]1 ZINC000341969181 183307461 /nfs/dbraw/zinc/30/74/61/183307461.db2.gz BJMBNMGKYDSZHD-NSHDSACASA-N 1 2 238.291 0.513 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@]3(C2)CCCOC3)[nH]1 ZINC000341969181 183307462 /nfs/dbraw/zinc/30/74/62/183307462.db2.gz BJMBNMGKYDSZHD-NSHDSACASA-N 1 2 238.291 0.513 20 0 BCADLO CCC[NH+]1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 ZINC000296294934 169201256 /nfs/dbraw/zinc/20/12/56/169201256.db2.gz VHIJNJDAPYPPEX-UHFFFAOYSA-N 1 2 249.314 0.752 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000329983661 183310563 /nfs/dbraw/zinc/31/05/63/183310563.db2.gz BLEGUEBFXIHUFW-BDAKNGLRSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000329983661 183310565 /nfs/dbraw/zinc/31/05/65/183310565.db2.gz BLEGUEBFXIHUFW-BDAKNGLRSA-N 1 2 238.291 0.103 20 0 BCADLO O=C1N=NC2C[N@H+](CC[C@@H]3CCCO3)CCN12 ZINC000329927547 183310710 /nfs/dbraw/zinc/31/07/10/183310710.db2.gz XBBJJEFOUVNFLH-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO O=C1N=NC2C[N@@H+](CC[C@@H]3CCCO3)CCN12 ZINC000329927547 183310713 /nfs/dbraw/zinc/31/07/13/183310713.db2.gz XBBJJEFOUVNFLH-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000329927547 183310716 /nfs/dbraw/zinc/31/07/16/183310716.db2.gz XBBJJEFOUVNFLH-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC[C@@H]1CCCO1)C2 ZINC000329927547 183310718 /nfs/dbraw/zinc/31/07/18/183310718.db2.gz XBBJJEFOUVNFLH-VIFPVBQESA-N 1 2 238.291 0.368 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000035148401 169227595 /nfs/dbraw/zinc/22/75/95/169227595.db2.gz ULTTWMUEFDYJBD-UHFFFAOYSA-N 1 2 244.726 0.689 20 0 BCADLO c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)on1 ZINC000274386328 183347280 /nfs/dbraw/zinc/34/72/80/183347280.db2.gz GHAHIACBQNDGIF-LLVKDONJSA-N 1 2 224.260 0.666 20 0 BCADLO c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)on1 ZINC000274386328 183347282 /nfs/dbraw/zinc/34/72/82/183347282.db2.gz GHAHIACBQNDGIF-LLVKDONJSA-N 1 2 224.260 0.666 20 0 BCADLO CCCNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305756047 169219905 /nfs/dbraw/zinc/21/99/05/169219905.db2.gz ASBKXMXMHWJMFQ-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO CCCNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756047 169219907 /nfs/dbraw/zinc/21/99/07/169219907.db2.gz ASBKXMXMHWJMFQ-ZETCQYMHSA-N 1 2 242.241 0.368 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)OC ZINC000357847659 169221218 /nfs/dbraw/zinc/22/12/18/169221218.db2.gz JHMJRCVIWWKNMK-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)OC ZINC000357847659 169221220 /nfs/dbraw/zinc/22/12/20/169221220.db2.gz JHMJRCVIWWKNMK-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)NCC ZINC000119240436 169241447 /nfs/dbraw/zinc/24/14/47/169241447.db2.gz VQLYFDXUAJAMKR-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)NCC ZINC000119240436 169241449 /nfs/dbraw/zinc/24/14/49/169241449.db2.gz VQLYFDXUAJAMKR-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338626998 169245685 /nfs/dbraw/zinc/24/56/85/169245685.db2.gz PQKMJHSLXUVKCX-GXSJLCMTSA-N 1 2 232.299 0.307 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338626998 169245686 /nfs/dbraw/zinc/24/56/86/169245686.db2.gz PQKMJHSLXUVKCX-GXSJLCMTSA-N 1 2 232.299 0.307 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435235 169298948 /nfs/dbraw/zinc/29/89/48/169298948.db2.gz RBHWFBIKZHRHOA-NXEZZACHSA-N 1 2 227.304 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435235 169298949 /nfs/dbraw/zinc/29/89/49/169298949.db2.gz RBHWFBIKZHRHOA-NXEZZACHSA-N 1 2 227.304 0.785 20 0 BCADLO c1cn(C2CN(c3cccc[nH+]3)C2)nn1 ZINC000338688561 183414127 /nfs/dbraw/zinc/41/41/27/183414127.db2.gz NDSVFILHQJDAGE-UHFFFAOYSA-N 1 2 201.233 0.734 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375319132 169329424 /nfs/dbraw/zinc/32/94/24/169329424.db2.gz LQIJATAMUMSNGM-JTQLQIEISA-N 1 2 247.360 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375319132 169329426 /nfs/dbraw/zinc/32/94/26/169329426.db2.gz LQIJATAMUMSNGM-JTQLQIEISA-N 1 2 247.360 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000359976431 169329468 /nfs/dbraw/zinc/32/94/68/169329468.db2.gz HIOFQBMLQSWHJR-NSHDSACASA-N 1 2 249.376 0.780 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCOC[C@@H](C)C1 ZINC000359976431 169329470 /nfs/dbraw/zinc/32/94/70/169329470.db2.gz HIOFQBMLQSWHJR-NSHDSACASA-N 1 2 249.376 0.780 20 0 BCADLO CCCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000070265542 169333111 /nfs/dbraw/zinc/33/31/11/169333111.db2.gz ODLNJBHJHRZWBV-SECBINFHSA-N 1 2 231.321 0.601 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)CN1Cc1c[nH+]c[nH]1 ZINC000179643805 134322742 /nfs/dbraw/zinc/32/27/42/134322742.db2.gz BUNZNAKNRGYCOT-UWVGGRQHSA-N 1 2 239.275 0.172 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)CN1Cc1c[nH]c[nH+]1 ZINC000179643805 134322743 /nfs/dbraw/zinc/32/27/43/134322743.db2.gz BUNZNAKNRGYCOT-UWVGGRQHSA-N 1 2 239.275 0.172 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181378357 134336066 /nfs/dbraw/zinc/33/60/66/134336066.db2.gz OZANEEIORNPLEV-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181378357 134336067 /nfs/dbraw/zinc/33/60/67/134336067.db2.gz OZANEEIORNPLEV-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO CCN(CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179059944 535454127 /nfs/dbraw/zinc/45/41/27/535454127.db2.gz YXDUEEHZTOBVBX-LLVKDONJSA-N 1 2 240.351 0.038 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225446746 134353395 /nfs/dbraw/zinc/35/33/95/134353395.db2.gz OZQYEMCTNCDATP-NKWVEPMBSA-N 1 2 241.209 0.547 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225446746 134353396 /nfs/dbraw/zinc/35/33/96/134353396.db2.gz OZQYEMCTNCDATP-NKWVEPMBSA-N 1 2 241.209 0.547 20 0 BCADLO CC[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178726984 535462448 /nfs/dbraw/zinc/46/24/48/535462448.db2.gz MAXYTBUNQLSUED-GHMZBOCLSA-N 1 2 225.336 0.149 20 0 BCADLO CSCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258003 259624385 /nfs/dbraw/zinc/62/43/85/259624385.db2.gz NVZQKDOWVBZGJC-UHFFFAOYSA-N 1 2 211.290 0.629 20 0 BCADLO Cc1nc(NC[C@@H](O)C(F)F)cc[nH+]1 ZINC000226572686 134366548 /nfs/dbraw/zinc/36/65/48/134366548.db2.gz PTYXFWMRBXGKIA-ZCFIWIBFSA-N 1 2 203.192 0.823 20 0 BCADLO COC[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493836070 532980273 /nfs/dbraw/zinc/98/02/73/532980273.db2.gz LGMBYBFYQZCLSQ-WBSSQXGSSA-N 1 2 223.276 0.916 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000227397307 134379078 /nfs/dbraw/zinc/37/90/78/134379078.db2.gz CYVXYHOYSOJNCP-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000227397307 134379079 /nfs/dbraw/zinc/37/90/79/134379079.db2.gz CYVXYHOYSOJNCP-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCn1cccn1 ZINC000111280324 383849599 /nfs/dbraw/zinc/84/95/99/383849599.db2.gz FBIWGCBCFNAIAM-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCn1cccn1 ZINC000111280324 383849607 /nfs/dbraw/zinc/84/96/07/383849607.db2.gz FBIWGCBCFNAIAM-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)NCc1ccco1 ZINC000111399236 383861475 /nfs/dbraw/zinc/86/14/75/383861475.db2.gz PADJFRDGTQXDGY-VIFPVBQESA-N 1 2 248.286 0.797 20 0 BCADLO CC(C)[C@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000066499690 383867411 /nfs/dbraw/zinc/86/74/11/383867411.db2.gz BPXHKUNAEIMRQU-NSHDSACASA-N 1 2 236.319 0.377 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000305151268 383829135 /nfs/dbraw/zinc/82/91/35/383829135.db2.gz AAVHORQLUMTKAV-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000305151268 383829140 /nfs/dbraw/zinc/82/91/40/383829140.db2.gz AAVHORQLUMTKAV-PSASIEDQSA-N 1 2 225.292 0.971 20 0 BCADLO CC[C@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000112284325 383908543 /nfs/dbraw/zinc/90/85/43/383908543.db2.gz WOJOQHSXRZEUKR-NSHDSACASA-N 1 2 235.291 0.936 20 0 BCADLO Cc1cnccc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000560126228 383913441 /nfs/dbraw/zinc/91/34/41/383913441.db2.gz QJUSEABEAIDTNC-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000560126228 383913443 /nfs/dbraw/zinc/91/34/43/383913443.db2.gz QJUSEABEAIDTNC-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1noc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000407947799 383930499 /nfs/dbraw/zinc/93/04/99/383930499.db2.gz AUUAVJOLKQCHHI-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO Cc1noc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000407947799 383930506 /nfs/dbraw/zinc/93/05/06/383930506.db2.gz AUUAVJOLKQCHHI-QMMMGPOBSA-N 1 2 211.265 0.846 20 0 BCADLO COC(=O)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000310159524 383886768 /nfs/dbraw/zinc/88/67/68/383886768.db2.gz POKJSCUNEXMOFM-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000518456256 383898297 /nfs/dbraw/zinc/89/82/97/383898297.db2.gz GKKHWGZLCKGGEA-SECBINFHSA-N 1 2 209.249 0.130 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCCO1 ZINC000112202652 383903064 /nfs/dbraw/zinc/90/30/64/383903064.db2.gz RRKFXLNPVRRAED-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCCO1 ZINC000112202652 383903069 /nfs/dbraw/zinc/90/30/69/383903069.db2.gz RRKFXLNPVRRAED-UWVGGRQHSA-N 1 2 235.349 0.530 20 0 BCADLO CCCCNC(=O)NCCn1cc[nH+]c1 ZINC000049370922 383906538 /nfs/dbraw/zinc/90/65/38/383906538.db2.gz FZUPUGZLGNWOTL-UHFFFAOYSA-N 1 2 210.281 0.982 20 0 BCADLO Cc1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000221143930 383978264 /nfs/dbraw/zinc/97/82/64/383978264.db2.gz MMHBYSNSELDMJS-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000221143930 383978269 /nfs/dbraw/zinc/97/82/69/383978269.db2.gz MMHBYSNSELDMJS-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc[nH]c1 ZINC000068279996 383980938 /nfs/dbraw/zinc/98/09/38/383980938.db2.gz VBCCRHHPMXSJKT-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO Cc1nc(NC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000112703284 383944395 /nfs/dbraw/zinc/94/43/95/383944395.db2.gz JAZMFCKAKCALBU-UHFFFAOYSA-N 1 2 220.236 0.338 20 0 BCADLO Cc1nnc(NC(=O)CCn2cc[nH+]c2)[nH]1 ZINC000112703284 383944397 /nfs/dbraw/zinc/94/43/97/383944397.db2.gz JAZMFCKAKCALBU-UHFFFAOYSA-N 1 2 220.236 0.338 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000363410162 383955542 /nfs/dbraw/zinc/95/55/42/383955542.db2.gz CGWBANIFEHABPY-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000363410162 383955551 /nfs/dbraw/zinc/95/55/51/383955551.db2.gz CGWBANIFEHABPY-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC[C@@H](C)O ZINC000560186409 383957894 /nfs/dbraw/zinc/95/78/94/383957894.db2.gz NZBCIEZLFMQRNO-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC[C@@H](C)O ZINC000560186409 383957898 /nfs/dbraw/zinc/95/78/98/383957898.db2.gz NZBCIEZLFMQRNO-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000278578064 384017898 /nfs/dbraw/zinc/01/78/98/384017898.db2.gz FLRRPJUNNMYRKR-MNOVXSKESA-N 1 2 225.292 0.693 20 0 BCADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000114125194 384023152 /nfs/dbraw/zinc/02/31/52/384023152.db2.gz DGIVESVHNABVNK-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000075618330 384050404 /nfs/dbraw/zinc/05/04/04/384050404.db2.gz PEXWSJZBMVQGHS-MRVPVSSYSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000075618330 384050410 /nfs/dbraw/zinc/05/04/10/384050410.db2.gz PEXWSJZBMVQGHS-MRVPVSSYSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(C)C2=O)s1 ZINC000309590402 384030955 /nfs/dbraw/zinc/03/09/55/384030955.db2.gz UOTMKCMGUGBWAY-XPUUQOCRSA-N 1 2 240.332 0.728 20 0 BCADLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ncn(C)n1 ZINC000401813396 384055068 /nfs/dbraw/zinc/05/50/68/384055068.db2.gz GYAHSHRPQXHQMU-IWSPIJDZSA-N 1 2 210.281 0.643 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156030049 384090432 /nfs/dbraw/zinc/09/04/32/384090432.db2.gz SDKNPIVLZLMUBX-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO Cc1nnc(C[N@H+](C)CC(C)(C)O)n1C ZINC000078778230 384080630 /nfs/dbraw/zinc/08/06/30/384080630.db2.gz IKDJFFUFTNWPAP-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC(C)(C)O)n1C ZINC000078778230 384080632 /nfs/dbraw/zinc/08/06/32/384080632.db2.gz IKDJFFUFTNWPAP-UHFFFAOYSA-N 1 2 212.297 0.326 20 0 BCADLO CO[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000530468382 384101042 /nfs/dbraw/zinc/10/10/42/384101042.db2.gz MTMBQGOBSMKXSU-MWLCHTKSSA-N 1 2 237.303 0.646 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000269342487 384117227 /nfs/dbraw/zinc/11/72/27/384117227.db2.gz CAPOZEVKYXEWNF-CBAPKCEASA-N 1 2 209.249 0.361 20 0 BCADLO CN(CCO)c1nc[nH+]c(N)c1Cl ZINC000234272362 384117347 /nfs/dbraw/zinc/11/73/47/384117347.db2.gz DFMYDOGNRIUMSI-UHFFFAOYSA-N 1 2 202.645 0.141 20 0 BCADLO CN(CCO)c1[nH+]cnc(N)c1Cl ZINC000234272362 384117351 /nfs/dbraw/zinc/11/73/51/384117351.db2.gz DFMYDOGNRIUMSI-UHFFFAOYSA-N 1 2 202.645 0.141 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000091864363 384149380 /nfs/dbraw/zinc/14/93/80/384149380.db2.gz ICBREPLQSWWFAE-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000091864363 384149387 /nfs/dbraw/zinc/14/93/87/384149387.db2.gz ICBREPLQSWWFAE-SNVBAGLBSA-N 1 2 235.287 0.797 20 0 BCADLO Cn1cc[nH+]c1CN1CCCC[C@H]1C(N)=O ZINC000071089333 384151014 /nfs/dbraw/zinc/15/10/14/384151014.db2.gz SGCBMUJRHXCGBW-VIFPVBQESA-N 1 2 222.292 0.260 20 0 BCADLO C[C@@H]([NH2+]Cc1nccn1C)C(=O)NC(C)(C)C ZINC000071138930 384151494 /nfs/dbraw/zinc/15/14/94/384151494.db2.gz RFKQUXVLRITSJR-SECBINFHSA-N 1 2 238.335 0.813 20 0 BCADLO O=C1NC[C@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000091864181 384151665 /nfs/dbraw/zinc/15/16/65/384151665.db2.gz YQGPBXXUQODGCF-QMMMGPOBSA-N 1 2 238.316 0.353 20 0 BCADLO O=C1NC[C@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000091864181 384151667 /nfs/dbraw/zinc/15/16/67/384151667.db2.gz YQGPBXXUQODGCF-QMMMGPOBSA-N 1 2 238.316 0.353 20 0 BCADLO C[C@H]([NH2+]Cc1nccn1C)C(=O)N1CCCC1 ZINC000071273757 384158102 /nfs/dbraw/zinc/15/81/02/384158102.db2.gz VFFMYKLOIOWYFE-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000091673923 384138459 /nfs/dbraw/zinc/13/84/59/384138459.db2.gz BCEVNPMMBDPLJM-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000091673923 384138460 /nfs/dbraw/zinc/13/84/60/384138460.db2.gz BCEVNPMMBDPLJM-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO CC(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)n(C)c1 ZINC000070991553 384145899 /nfs/dbraw/zinc/14/58/99/384145899.db2.gz RQXCPCCWFYOMGD-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000157514867 384173479 /nfs/dbraw/zinc/17/34/79/384173479.db2.gz RDBGAXLXBYLGOS-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000157514867 384173481 /nfs/dbraw/zinc/17/34/81/384173481.db2.gz RDBGAXLXBYLGOS-NSHDSACASA-N 1 2 224.308 0.645 20 0 BCADLO OC[C@@H]1CCN(c2cccc[nH+]2)C[C@H]1O ZINC000569519055 384164128 /nfs/dbraw/zinc/16/41/28/384164128.db2.gz YOPBYVFWQLVCMJ-VHSXEESVSA-N 1 2 208.261 0.261 20 0 BCADLO OC[C@H]1CCN(c2cccc[nH+]2)C[C@H]1O ZINC000569519053 384166284 /nfs/dbraw/zinc/16/62/84/384166284.db2.gz YOPBYVFWQLVCMJ-NXEZZACHSA-N 1 2 208.261 0.261 20 0 BCADLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CC1 ZINC000092616871 384185894 /nfs/dbraw/zinc/18/58/94/384185894.db2.gz NVWJMIZWNMTNNH-UHFFFAOYSA-N 1 2 210.281 0.720 20 0 BCADLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CC1 ZINC000092616871 384185896 /nfs/dbraw/zinc/18/58/96/384185896.db2.gz NVWJMIZWNMTNNH-UHFFFAOYSA-N 1 2 210.281 0.720 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000408062569 384191978 /nfs/dbraw/zinc/19/19/78/384191978.db2.gz NBTWSUXBJSRQLZ-JTQLQIEISA-N 1 2 243.332 0.337 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000408062569 384191984 /nfs/dbraw/zinc/19/19/84/384191984.db2.gz NBTWSUXBJSRQLZ-JTQLQIEISA-N 1 2 243.332 0.337 20 0 BCADLO CNC(=O)C[C@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000643815512 384230558 /nfs/dbraw/zinc/23/05/58/384230558.db2.gz MXIHTEAPFNEEBV-SNVBAGLBSA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)C[C@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000643815512 384230563 /nfs/dbraw/zinc/23/05/63/384230563.db2.gz MXIHTEAPFNEEBV-SNVBAGLBSA-N 1 2 236.262 0.215 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)C/C(Cl)=C/Cl ZINC000289859462 384239238 /nfs/dbraw/zinc/23/92/38/384239238.db2.gz QDYOOMCQULBVCU-UDGZVJEDSA-N 1 2 228.119 0.981 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)C/C(Cl)=C/Cl ZINC000289859462 384239244 /nfs/dbraw/zinc/23/92/44/384239244.db2.gz QDYOOMCQULBVCU-UDGZVJEDSA-N 1 2 228.119 0.981 20 0 BCADLO COC(=O)C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093458452 384239947 /nfs/dbraw/zinc/23/99/47/384239947.db2.gz FQKNRQMOTSUMDR-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)C[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093458452 384239956 /nfs/dbraw/zinc/23/99/56/384239956.db2.gz FQKNRQMOTSUMDR-SNVBAGLBSA-N 1 2 239.275 0.174 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000077278114 384209658 /nfs/dbraw/zinc/20/96/58/384209658.db2.gz CKDPIZANZAYTCT-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000077278114 384209663 /nfs/dbraw/zinc/20/96/63/384209663.db2.gz CKDPIZANZAYTCT-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118852972 384215111 /nfs/dbraw/zinc/21/51/11/384215111.db2.gz LQNQZGDAOKBQLD-QMMMGPOBSA-N 1 2 234.303 0.435 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118852972 384215116 /nfs/dbraw/zinc/21/51/16/384215116.db2.gz LQNQZGDAOKBQLD-QMMMGPOBSA-N 1 2 234.303 0.435 20 0 BCADLO CCCc1nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351815577 384227921 /nfs/dbraw/zinc/22/79/21/384227921.db2.gz WOIYTVYHYPSMDJ-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351815577 384227926 /nfs/dbraw/zinc/22/79/26/384227926.db2.gz WOIYTVYHYPSMDJ-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccnn1C ZINC000158568278 384247451 /nfs/dbraw/zinc/24/74/51/384247451.db2.gz ACBIBAANYTUDNH-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccnn1C ZINC000158568278 384247457 /nfs/dbraw/zinc/24/74/57/384247457.db2.gz ACBIBAANYTUDNH-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO COC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093528650 384248823 /nfs/dbraw/zinc/24/88/23/384248823.db2.gz UIZWZGHMWAIEPK-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093528650 384248828 /nfs/dbraw/zinc/24/88/28/384248828.db2.gz UIZWZGHMWAIEPK-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO CCN(CC)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000119278226 384252985 /nfs/dbraw/zinc/25/29/85/384252985.db2.gz VKNONKHYTJCGKF-UHFFFAOYSA-N 1 2 246.336 0.059 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)Cc1ccn(C)c1 ZINC000093643352 384255171 /nfs/dbraw/zinc/25/51/71/384255171.db2.gz LYIVSZYUEMTHMS-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccn(C)c1 ZINC000093643352 384255172 /nfs/dbraw/zinc/25/51/72/384255172.db2.gz LYIVSZYUEMTHMS-UHFFFAOYSA-N 1 2 244.360 0.892 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]nc1C ZINC000093771884 384270543 /nfs/dbraw/zinc/27/05/43/384270543.db2.gz RXOYBGAEOJVRJX-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]nc1C ZINC000093771884 384270551 /nfs/dbraw/zinc/27/05/51/384270551.db2.gz RXOYBGAEOJVRJX-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO C[C@H](O)CN(C)c1nc[nH+]c(N)c1Cl ZINC000235559121 384272759 /nfs/dbraw/zinc/27/27/59/384272759.db2.gz VSGURSLCDQOXJO-YFKPBYRVSA-N 1 2 216.672 0.529 20 0 BCADLO C[C@H](O)CN(C)c1[nH+]cnc(N)c1Cl ZINC000235559121 384272768 /nfs/dbraw/zinc/27/27/68/384272768.db2.gz VSGURSLCDQOXJO-YFKPBYRVSA-N 1 2 216.672 0.529 20 0 BCADLO C[C@@H](NC(=O)CCc1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000560698718 384306122 /nfs/dbraw/zinc/30/61/22/384306122.db2.gz RHCSPNJDQYWFOR-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1ccc(O)c(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000094574209 384307015 /nfs/dbraw/zinc/30/70/15/384307015.db2.gz CWRCEXAKIYGOKG-JTQLQIEISA-N 1 2 236.271 0.628 20 0 BCADLO Cc1nc(N[C@H]2C[C@H](O)C2(C)C)nc(N)[nH+]1 ZINC000304444143 384311905 /nfs/dbraw/zinc/31/19/05/384311905.db2.gz IMPUHMXPOHKPQE-BQBZGAKWSA-N 1 2 223.280 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@H]2C[C@H](O)C2(C)C)[nH+]1 ZINC000304444143 384311911 /nfs/dbraw/zinc/31/19/11/384311911.db2.gz IMPUHMXPOHKPQE-BQBZGAKWSA-N 1 2 223.280 0.334 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](C)CO)C1CC1 ZINC000300011683 384278509 /nfs/dbraw/zinc/27/85/09/384278509.db2.gz WTYCUTWDRMZGDT-NQMVMOMDSA-N 1 2 215.293 0.545 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCCc1ncno1 ZINC000133457118 384293226 /nfs/dbraw/zinc/29/32/26/384293226.db2.gz RCPSVOMOIVGNFP-UHFFFAOYSA-N 1 2 245.246 0.401 20 0 BCADLO COCC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357737648 384297571 /nfs/dbraw/zinc/29/75/71/384297571.db2.gz FCBLTGKEYGIZQT-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179510932 384298284 /nfs/dbraw/zinc/29/82/84/384298284.db2.gz VTERPUSUFHJNRG-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179510932 384298289 /nfs/dbraw/zinc/29/82/89/384298289.db2.gz VTERPUSUFHJNRG-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO COc1cncc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000572613541 384346565 /nfs/dbraw/zinc/34/65/65/384346565.db2.gz FWRJQGXWLURHHZ-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cncc(C[N@H+]2CCn3nncc3C2)c1 ZINC000572613541 384346574 /nfs/dbraw/zinc/34/65/74/384346574.db2.gz FWRJQGXWLURHHZ-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO Cn1cc(Cl)cc1C[N@H+](C)CC(N)=O ZINC000120298084 384346862 /nfs/dbraw/zinc/34/68/62/384346862.db2.gz YRKZSCUWUKRMFO-UHFFFAOYSA-N 1 2 215.684 0.596 20 0 BCADLO Cn1cc(Cl)cc1C[N@@H+](C)CC(N)=O ZINC000120298084 384346865 /nfs/dbraw/zinc/34/68/65/384346865.db2.gz YRKZSCUWUKRMFO-UHFFFAOYSA-N 1 2 215.684 0.596 20 0 BCADLO CO[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[C@H]1C ZINC000302574942 384347204 /nfs/dbraw/zinc/34/72/04/384347204.db2.gz AVRJVUPNAKJFNH-VXNVDRBHSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CC[C@H]1C ZINC000302574942 384347213 /nfs/dbraw/zinc/34/72/13/384347213.db2.gz AVRJVUPNAKJFNH-VXNVDRBHSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332741416 384348034 /nfs/dbraw/zinc/34/80/34/384348034.db2.gz ZMMUAFQVIMOPSM-MRVPVSSYSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332741416 384348039 /nfs/dbraw/zinc/34/80/39/384348039.db2.gz ZMMUAFQVIMOPSM-MRVPVSSYSA-N 1 2 211.265 0.723 20 0 BCADLO CCCC[N@H+](CCO)Cc1ncnn1C ZINC000083975310 384352326 /nfs/dbraw/zinc/35/23/26/384352326.db2.gz AOHFKNYWKPMICO-UHFFFAOYSA-N 1 2 212.297 0.410 20 0 BCADLO CCCC[N@@H+](CCO)Cc1ncnn1C ZINC000083975310 384352333 /nfs/dbraw/zinc/35/23/33/384352333.db2.gz AOHFKNYWKPMICO-UHFFFAOYSA-N 1 2 212.297 0.410 20 0 BCADLO CCn1ncnc1C[N@H+](CCO)C(C)C ZINC000083995448 384354337 /nfs/dbraw/zinc/35/43/37/384354337.db2.gz OIRJQBKZVUDJHR-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](CCO)C(C)C ZINC000083995448 384354342 /nfs/dbraw/zinc/35/43/42/384354342.db2.gz OIRJQBKZVUDJHR-UHFFFAOYSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000076048574 384354917 /nfs/dbraw/zinc/35/49/17/384354917.db2.gz UPYLEFHPUJBCJS-NXEZZACHSA-N 1 2 222.292 0.981 20 0 BCADLO CC[C@]1(C)COCCN1C(=O)Cn1cc[nH+]c1 ZINC000560792387 384356290 /nfs/dbraw/zinc/35/62/90/384356290.db2.gz PQWMTTPAPYNAST-GFCCVEGCSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(CC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000084081593 384360068 /nfs/dbraw/zinc/36/00/68/384360068.db2.gz HYVHFBJQFBMWRU-UHFFFAOYSA-N 1 2 207.155 0.978 20 0 BCADLO O=C(CC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000084081593 384360073 /nfs/dbraw/zinc/36/00/73/384360073.db2.gz HYVHFBJQFBMWRU-UHFFFAOYSA-N 1 2 207.155 0.978 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCn2nccc21 ZINC000560815982 384363577 /nfs/dbraw/zinc/36/35/77/384363577.db2.gz KIPKITMIYMOTDV-UHFFFAOYSA-N 1 2 231.259 0.586 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCn2nccc21 ZINC000560815982 384363583 /nfs/dbraw/zinc/36/35/83/384363583.db2.gz KIPKITMIYMOTDV-UHFFFAOYSA-N 1 2 231.259 0.586 20 0 BCADLO CC(C)(C(=O)N1CCn2nccc21)c1c[nH+]c[nH]1 ZINC000560817167 384363623 /nfs/dbraw/zinc/36/36/23/384363623.db2.gz DYUFSJZXPFDHDF-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO CC(C)(C(=O)N1CCn2nccc21)c1c[nH]c[nH+]1 ZINC000560817167 384363627 /nfs/dbraw/zinc/36/36/27/384363627.db2.gz DYUFSJZXPFDHDF-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO CCn1cc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000179657323 384325970 /nfs/dbraw/zinc/32/59/70/384325970.db2.gz UIWYZUBLNOPCHI-UHFFFAOYSA-N 1 2 224.308 0.599 20 0 BCADLO CCn1cc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000179657323 384325978 /nfs/dbraw/zinc/32/59/78/384325978.db2.gz UIWYZUBLNOPCHI-UHFFFAOYSA-N 1 2 224.308 0.599 20 0 BCADLO CC(C)c1nc(N(C)C)nc(NC[C@H](C)O)[nH+]1 ZINC000120190393 384333601 /nfs/dbraw/zinc/33/36/01/384333601.db2.gz WARSXLXWCLXSFI-QMMMGPOBSA-N 1 2 239.323 0.854 20 0 BCADLO CC(C)c1nc(NC[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000120190393 384333607 /nfs/dbraw/zinc/33/36/07/384333607.db2.gz WARSXLXWCLXSFI-QMMMGPOBSA-N 1 2 239.323 0.854 20 0 BCADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000304500691 384333898 /nfs/dbraw/zinc/33/38/98/384333898.db2.gz QGNXOQATUTVPDC-KNVOCYPGSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000304500691 384333908 /nfs/dbraw/zinc/33/39/08/384333908.db2.gz QGNXOQATUTVPDC-KNVOCYPGSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H](OCCO)C2)o1 ZINC000075745333 384334331 /nfs/dbraw/zinc/33/43/31/384334331.db2.gz YAJZLVLGHXXSDR-NSHDSACASA-N 1 2 240.303 0.956 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H](OCCO)C2)o1 ZINC000075745333 384334338 /nfs/dbraw/zinc/33/43/38/384334338.db2.gz YAJZLVLGHXXSDR-NSHDSACASA-N 1 2 240.303 0.956 20 0 BCADLO CC(C)c1nnc([C@H](C)[NH2+]C2COC2)[nH]1 ZINC000308889874 384405831 /nfs/dbraw/zinc/40/58/31/384405831.db2.gz XFFNFXWXZKBRRV-ZETCQYMHSA-N 1 2 210.281 0.978 20 0 BCADLO CSCCCNC(=O)NCCn1cc[nH+]c1 ZINC000077535849 384410566 /nfs/dbraw/zinc/41/05/66/384410566.db2.gz CPRCFPLNMGRPMS-UHFFFAOYSA-N 1 2 242.348 0.935 20 0 BCADLO CC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000035607502 384412134 /nfs/dbraw/zinc/41/21/34/384412134.db2.gz VLUYPRZQUDIVKT-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO CC[N@H+](Cc1cn(C)nc1C)C1COC1 ZINC000449428180 384380125 /nfs/dbraw/zinc/38/01/25/384380125.db2.gz UMVYEQJNTGFPOI-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@@H+](Cc1cn(C)nc1C)C1COC1 ZINC000449428180 384380132 /nfs/dbraw/zinc/38/01/32/384380132.db2.gz UMVYEQJNTGFPOI-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO COc1cc(N(C)Cc2[nH+]ccn2C)ncn1 ZINC000120786145 384381371 /nfs/dbraw/zinc/38/13/71/384381371.db2.gz OAJCUNJFISFBOM-UHFFFAOYSA-N 1 2 233.275 0.855 20 0 BCADLO Cn1ccc(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000121844783 384442001 /nfs/dbraw/zinc/44/20/01/384442001.db2.gz POWKBPUYNYOZOQ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1ccc(C[N@H+]2CCn3cnnc3C2)c1 ZINC000121844783 384442003 /nfs/dbraw/zinc/44/20/03/384442003.db2.gz POWKBPUYNYOZOQ-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO C[C@H]([NH2+]Cc1csnn1)C(=O)N(C)C ZINC000036902234 384463377 /nfs/dbraw/zinc/46/33/77/384463377.db2.gz HFIKOWUIEARFNN-LURJTMIESA-N 1 2 214.294 0.104 20 0 BCADLO c1cn(CCCNc2nccn3cnnc23)c[nH+]1 ZINC000079467987 384497455 /nfs/dbraw/zinc/49/74/55/384497455.db2.gz MRPHIMNCZCLMGT-UHFFFAOYSA-N 1 2 243.274 0.823 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCOC(C)C ZINC000249376726 384499767 /nfs/dbraw/zinc/49/97/67/384499767.db2.gz OIXHIZOPFYTRJK-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCOC(C)C ZINC000249376726 384499772 /nfs/dbraw/zinc/49/97/72/384499772.db2.gz OIXHIZOPFYTRJK-MNOVXSKESA-N 1 2 245.319 0.410 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCn1ccnc1 ZINC000161626909 384511323 /nfs/dbraw/zinc/51/13/23/384511323.db2.gz JKPNOVHYAMSTKS-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCn1ccnc1 ZINC000161626909 384511327 /nfs/dbraw/zinc/51/13/27/384511327.db2.gz JKPNOVHYAMSTKS-UHFFFAOYSA-N 1 2 222.292 0.094 20 0 BCADLO COC[C@H]1C[N@H+](Cc2c[nH]nc2C)C[C@@H](C)O1 ZINC000249228866 384493408 /nfs/dbraw/zinc/49/34/08/384493408.db2.gz VHRRSEFLCHKOMA-BXKDBHETSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2c[nH]nc2C)C[C@@H](C)O1 ZINC000249228866 384493411 /nfs/dbraw/zinc/49/34/11/384493411.db2.gz VHRRSEFLCHKOMA-BXKDBHETSA-N 1 2 239.319 0.954 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540612 384534190 /nfs/dbraw/zinc/53/41/90/384534190.db2.gz OSRDPESVNSHNCE-AXFHLTTASA-N 1 2 225.288 0.801 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540612 384534197 /nfs/dbraw/zinc/53/41/97/384534197.db2.gz OSRDPESVNSHNCE-AXFHLTTASA-N 1 2 225.288 0.801 20 0 BCADLO Cn1c[nH+]cc1CN1C(=O)[C@H]2CCCCN2C1=O ZINC000270440422 384535918 /nfs/dbraw/zinc/53/59/18/384535918.db2.gz JKGMFBRBPXLUTL-SNVBAGLBSA-N 1 2 248.286 0.737 20 0 BCADLO Cc1c[nH]c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000097031983 384527757 /nfs/dbraw/zinc/52/77/57/384527757.db2.gz RPKBCAVBYRWNTF-SECBINFHSA-N 1 2 245.286 0.538 20 0 BCADLO Cc1cc(C[N@H+](C)CCOCCO)no1 ZINC000300746209 384529243 /nfs/dbraw/zinc/52/92/43/384529243.db2.gz SUHFRYFJCVRTBT-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO Cc1cc(C[N@@H+](C)CCOCCO)no1 ZINC000300746209 384529245 /nfs/dbraw/zinc/52/92/45/384529245.db2.gz SUHFRYFJCVRTBT-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO Cc1cc(C[N@H+](C)CCCS(N)(=O)=O)no1 ZINC000170909045 384531053 /nfs/dbraw/zinc/53/10/53/384531053.db2.gz DSPFUIVBCXPGIE-UHFFFAOYSA-N 1 2 247.320 0.093 20 0 BCADLO Cc1cc(C[N@@H+](C)CCCS(N)(=O)=O)no1 ZINC000170909045 384531060 /nfs/dbraw/zinc/53/10/60/384531060.db2.gz DSPFUIVBCXPGIE-UHFFFAOYSA-N 1 2 247.320 0.093 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540608 384532780 /nfs/dbraw/zinc/53/27/80/384532780.db2.gz OSRDPESVNSHNCE-OUAUKWLOSA-N 1 2 225.288 0.801 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540608 384532783 /nfs/dbraw/zinc/53/27/83/384532783.db2.gz OSRDPESVNSHNCE-OUAUKWLOSA-N 1 2 225.288 0.801 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000335093523 384543698 /nfs/dbraw/zinc/54/36/98/384543698.db2.gz CPLSYBKNYZGRLP-SCZZXKLOSA-N 1 2 211.240 0.784 20 0 BCADLO CCO[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000517876931 384545575 /nfs/dbraw/zinc/54/55/75/384545575.db2.gz QTHYBRICPXGLCY-AOOOYVTPSA-N 1 2 223.276 0.567 20 0 BCADLO Cc1nc(NC[C@@H]2CCCC[C@H]2O)nc(N)[nH+]1 ZINC000302656207 384546108 /nfs/dbraw/zinc/54/61/08/384546108.db2.gz XALGLGSZWNMXMR-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000302656207 384546112 /nfs/dbraw/zinc/54/61/12/384546112.db2.gz XALGLGSZWNMXMR-DTWKUNHWSA-N 1 2 237.307 0.725 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2C)n1 ZINC000123417446 384557998 /nfs/dbraw/zinc/55/79/98/384557998.db2.gz YRYXFZZMEXZDJZ-SECBINFHSA-N 1 2 235.287 0.416 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2C)n1 ZINC000123417446 384558004 /nfs/dbraw/zinc/55/80/04/384558004.db2.gz YRYXFZZMEXZDJZ-SECBINFHSA-N 1 2 235.287 0.416 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1cccnc1 ZINC000172161018 384541684 /nfs/dbraw/zinc/54/16/84/384541684.db2.gz XCNZWKQEDITFGS-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1cccnc1 ZINC000172161018 384541688 /nfs/dbraw/zinc/54/16/88/384541688.db2.gz XCNZWKQEDITFGS-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO Cc1nc(N[C@@H](C)c2cnn(C)c2)nc(N)[nH+]1 ZINC000306119848 384572019 /nfs/dbraw/zinc/57/20/19/384572019.db2.gz ZHZIKXGMNGWGAT-LURJTMIESA-N 1 2 233.279 0.669 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)c2cnn(C)c2)[nH+]1 ZINC000306119848 384572030 /nfs/dbraw/zinc/57/20/30/384572030.db2.gz ZHZIKXGMNGWGAT-LURJTMIESA-N 1 2 233.279 0.669 20 0 BCADLO CCOC(=O)C[N@H+](CCCC(=O)OC)C1CC1 ZINC000050064032 384590482 /nfs/dbraw/zinc/59/04/82/384590482.db2.gz LRWCMZQFKNPSCP-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)C[N@@H+](CCCC(=O)OC)C1CC1 ZINC000050064032 384590485 /nfs/dbraw/zinc/59/04/85/384590485.db2.gz LRWCMZQFKNPSCP-UHFFFAOYSA-N 1 2 243.303 0.967 20 0 BCADLO Cc1cnc(C[NH2+][C@H](C)C(=O)N(C)C)n1C ZINC000309748247 384575186 /nfs/dbraw/zinc/57/51/86/384575186.db2.gz GBUKWWZTKNRQNF-SECBINFHSA-N 1 2 224.308 0.295 20 0 BCADLO Cc1c[nH+]c(CN[C@H](C)C(=O)N(C)C)n1C ZINC000309748247 384575192 /nfs/dbraw/zinc/57/51/92/384575192.db2.gz GBUKWWZTKNRQNF-SECBINFHSA-N 1 2 224.308 0.295 20 0 BCADLO CC1(C)NC(=O)CC[C@H]1[NH2+]CC(F)(F)CO ZINC000309750386 384580248 /nfs/dbraw/zinc/58/02/48/384580248.db2.gz GOWIGMHFWFTHBQ-SSDOTTSWSA-N 1 2 236.262 0.261 20 0 BCADLO CO[C@H](C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493294247 533077666 /nfs/dbraw/zinc/07/76/66/533077666.db2.gz RHOBJOHZDUGXLX-XNPJLODASA-N 1 2 223.276 0.916 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC=C(C)C ZINC000111232322 384583679 /nfs/dbraw/zinc/58/36/79/384583679.db2.gz WZNNFDPFKRWUGL-ZJUUUORDSA-N 1 2 213.277 0.561 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC=C(C)C ZINC000111232322 384583689 /nfs/dbraw/zinc/58/36/89/384583689.db2.gz WZNNFDPFKRWUGL-ZJUUUORDSA-N 1 2 213.277 0.561 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nnc(C)s2)C1 ZINC000408036580 384589131 /nfs/dbraw/zinc/58/91/31/384589131.db2.gz UXBLJPSHOLCADS-IUCAKERBSA-N 1 2 243.332 0.428 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nnc(C)s2)C1 ZINC000408036580 384589141 /nfs/dbraw/zinc/58/91/41/384589141.db2.gz UXBLJPSHOLCADS-IUCAKERBSA-N 1 2 243.332 0.428 20 0 BCADLO CSC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000309720086 384563992 /nfs/dbraw/zinc/56/39/92/384563992.db2.gz VQVBAZJFOCFXJF-MRVPVSSYSA-N 1 2 245.348 0.927 20 0 BCADLO CC[N@H+](CCO)Cc1nnnn1-c1ccccc1 ZINC000049754981 384564585 /nfs/dbraw/zinc/56/45/85/384564585.db2.gz TUCXXIDZMHILTK-UHFFFAOYSA-N 1 2 247.302 0.477 20 0 BCADLO CC[N@@H+](CCO)Cc1nnnn1-c1ccccc1 ZINC000049754981 384564590 /nfs/dbraw/zinc/56/45/90/384564590.db2.gz TUCXXIDZMHILTK-UHFFFAOYSA-N 1 2 247.302 0.477 20 0 BCADLO CCCCOCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103230326 384602884 /nfs/dbraw/zinc/60/28/84/384602884.db2.gz OZYNWJFUGUQPMD-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCCCOCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103230326 384602887 /nfs/dbraw/zinc/60/28/87/384602887.db2.gz OZYNWJFUGUQPMD-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C[C@H]1CCOC1 ZINC000566467999 384621279 /nfs/dbraw/zinc/62/12/79/384621279.db2.gz AACMZYJBBJHHKH-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@](C)(O)CNC(=O)NCc1c[nH+]cn1C ZINC000360102842 384625000 /nfs/dbraw/zinc/62/50/00/384625000.db2.gz FGLJYFUMKWQQCT-NSHDSACASA-N 1 2 240.307 0.380 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000172876337 384631097 /nfs/dbraw/zinc/63/10/97/384631097.db2.gz MBKLGGNODMFQIV-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](COC)C1 ZINC000172876337 384631103 /nfs/dbraw/zinc/63/11/03/384631103.db2.gz MBKLGGNODMFQIV-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)N(C)C)[nH]c1C ZINC000517042112 384595625 /nfs/dbraw/zinc/59/56/25/384595625.db2.gz LZQLFGATCZXHLZ-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO Cc1[nH]c(CNCC(=O)N(C)C)[nH+]c1C ZINC000517042112 384595629 /nfs/dbraw/zinc/59/56/29/384595629.db2.gz LZQLFGATCZXHLZ-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000517956545 384595830 /nfs/dbraw/zinc/59/58/30/384595830.db2.gz CZKNZNZPJMGYHJ-GXSJLCMTSA-N 1 2 222.292 0.661 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000517956545 384595837 /nfs/dbraw/zinc/59/58/37/384595837.db2.gz CZKNZNZPJMGYHJ-GXSJLCMTSA-N 1 2 222.292 0.661 20 0 BCADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061707829 384669369 /nfs/dbraw/zinc/66/93/69/384669369.db2.gz GFWCMCTXLIELMO-SSDOTTSWSA-N 1 2 215.684 0.640 20 0 BCADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](O)C1 ZINC000061707829 384669374 /nfs/dbraw/zinc/66/93/74/384669374.db2.gz GFWCMCTXLIELMO-SSDOTTSWSA-N 1 2 215.684 0.640 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+]2CCCOCC2)n1 ZINC000363929411 384670241 /nfs/dbraw/zinc/67/02/41/384670241.db2.gz BMPSQNQNIPHBDU-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+]2CCCOCC2)n1 ZINC000363929411 384670245 /nfs/dbraw/zinc/67/02/45/384670245.db2.gz BMPSQNQNIPHBDU-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO O=C(CO)N1CCCN(c2cccc[nH+]2)CC1 ZINC000363911364 384636143 /nfs/dbraw/zinc/63/61/43/384636143.db2.gz SWOKBFJRSGDPOK-UHFFFAOYSA-N 1 2 235.287 0.113 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000184702127 384638840 /nfs/dbraw/zinc/63/88/40/384638840.db2.gz YLDIIQVTUGYPHI-GFCCVEGCSA-N 1 2 249.314 0.281 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@@H]1O ZINC000086331798 384639281 /nfs/dbraw/zinc/63/92/81/384639281.db2.gz JNSLHLUVWWMORS-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO O[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@@H]1O ZINC000086331798 384639287 /nfs/dbraw/zinc/63/92/87/384639287.db2.gz JNSLHLUVWWMORS-AOOOYVTPSA-N 1 2 228.679 0.272 20 0 BCADLO CCCS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309821609 384640670 /nfs/dbraw/zinc/64/06/70/384640670.db2.gz FREBXFLSRJNSJB-ZETCQYMHSA-N 1 2 242.291 0.265 20 0 BCADLO CCC[C@H]1C(=O)NCCN1c1cc[nH+]c(C)n1 ZINC000124628886 384659495 /nfs/dbraw/zinc/65/94/95/384659495.db2.gz CQMYXPWZHLHZDX-JTQLQIEISA-N 1 2 234.303 0.890 20 0 BCADLO CC[C@@H](C(=O)Nc1n[nH]c(C)n1)[NH+](C)C ZINC000163023779 384723457 /nfs/dbraw/zinc/72/34/57/384723457.db2.gz CQNBPNYLHAMBMZ-ZETCQYMHSA-N 1 2 211.269 0.392 20 0 BCADLO CC[C@@H](C(=O)Nc1nnc(C)[nH]1)[NH+](C)C ZINC000163023779 384723464 /nfs/dbraw/zinc/72/34/64/384723464.db2.gz CQNBPNYLHAMBMZ-ZETCQYMHSA-N 1 2 211.269 0.392 20 0 BCADLO CC[C@@H](C(=O)Nc1nc(C)n[nH]1)[NH+](C)C ZINC000163023779 384723467 /nfs/dbraw/zinc/72/34/67/384723467.db2.gz CQNBPNYLHAMBMZ-ZETCQYMHSA-N 1 2 211.269 0.392 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)n(C)n1 ZINC000334801412 384724208 /nfs/dbraw/zinc/72/42/08/384724208.db2.gz BKLIZSBPLCXEMI-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CNc1cc(N2CCC[C@H]2CNC(C)=O)nc[nH+]1 ZINC000173423691 384680463 /nfs/dbraw/zinc/68/04/63/384680463.db2.gz KRLBQPLVXNSPKI-JTQLQIEISA-N 1 2 249.318 0.623 20 0 BCADLO CNc1cc(N2CCC[C@H]2CNC(C)=O)[nH+]cn1 ZINC000173423691 384680471 /nfs/dbraw/zinc/68/04/71/384680471.db2.gz KRLBQPLVXNSPKI-JTQLQIEISA-N 1 2 249.318 0.623 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000564920012 384726400 /nfs/dbraw/zinc/72/64/00/384726400.db2.gz QHNUPAOXLWKJBT-SCZZXKLOSA-N 1 2 208.265 0.416 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086759595 384685731 /nfs/dbraw/zinc/68/57/31/384685731.db2.gz GSJQJXNWPKYZII-YUMQZZPRSA-N 1 2 209.249 0.451 20 0 BCADLO Cn1nccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185191727 384692241 /nfs/dbraw/zinc/69/22/41/384692241.db2.gz NCHZIBCPWKMUCW-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1nccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185191727 384692246 /nfs/dbraw/zinc/69/22/46/384692246.db2.gz NCHZIBCPWKMUCW-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000051822235 384693418 /nfs/dbraw/zinc/69/34/18/384693418.db2.gz CDFZUIXYGMHTOJ-SNVBAGLBSA-N 1 2 247.302 0.475 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000051822235 384693424 /nfs/dbraw/zinc/69/34/24/384693424.db2.gz CDFZUIXYGMHTOJ-SNVBAGLBSA-N 1 2 247.302 0.475 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000125062348 384693779 /nfs/dbraw/zinc/69/37/79/384693779.db2.gz SICLKQJJQVGNCK-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000125062348 384693790 /nfs/dbraw/zinc/69/37/90/384693790.db2.gz SICLKQJJQVGNCK-NSHDSACASA-N 1 2 235.287 0.659 20 0 BCADLO COC[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000408148561 384695499 /nfs/dbraw/zinc/69/54/99/384695499.db2.gz CBCQWNANGVBUIB-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408148561 384695503 /nfs/dbraw/zinc/69/55/03/384695503.db2.gz CBCQWNANGVBUIB-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO Cc1ocnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000102341040 384705435 /nfs/dbraw/zinc/70/54/35/384705435.db2.gz DQAIGJVEZGEUNL-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000309910439 384705833 /nfs/dbraw/zinc/70/58/33/384705833.db2.gz MKPYFWSSDYZRQT-MWLCHTKSSA-N 1 2 233.308 0.315 20 0 BCADLO CC1(C)CC[C@H](C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408042106 384706420 /nfs/dbraw/zinc/70/64/20/384706420.db2.gz GDHRGJSKNNKTSS-BBBLOLIVSA-N 1 2 244.310 0.842 20 0 BCADLO CC1(C)CC[C@H](C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)O1 ZINC000408042106 384706427 /nfs/dbraw/zinc/70/64/27/384706427.db2.gz GDHRGJSKNNKTSS-BBBLOLIVSA-N 1 2 244.310 0.842 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1O ZINC000051990803 384707688 /nfs/dbraw/zinc/70/76/88/384707688.db2.gz PHBWIYRRZURHGI-QWRGUYRKSA-N 1 2 237.303 0.693 20 0 BCADLO CCc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1 ZINC000174317128 384773992 /nfs/dbraw/zinc/77/39/92/384773992.db2.gz YVJAUPJVFBZLOB-UHFFFAOYSA-N 1 2 247.342 0.856 20 0 BCADLO Cn1c[nH+]cc1CNCC(F)(F)CO ZINC000183883029 384777681 /nfs/dbraw/zinc/77/76/81/384777681.db2.gz XLMMLLIVDJQFSU-UHFFFAOYSA-N 1 2 205.208 0.137 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000052722243 384745241 /nfs/dbraw/zinc/74/52/41/384745241.db2.gz ORVZWJMDHIHAOY-JTQLQIEISA-N 1 2 235.287 0.801 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(N)c1 ZINC000052722243 384745252 /nfs/dbraw/zinc/74/52/52/384745252.db2.gz ORVZWJMDHIHAOY-JTQLQIEISA-N 1 2 235.287 0.801 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)on1 ZINC000052723920 384745541 /nfs/dbraw/zinc/74/55/41/384745541.db2.gz YIMLVPMZVLWIDC-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)C)on1 ZINC000052723920 384745550 /nfs/dbraw/zinc/74/55/50/384745550.db2.gz YIMLVPMZVLWIDC-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccnc(N)c1 ZINC000052728044 384747125 /nfs/dbraw/zinc/74/71/25/384747125.db2.gz VWEJDYXRBJFHEY-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccnc(N)c1 ZINC000052728044 384747132 /nfs/dbraw/zinc/74/71/32/384747132.db2.gz VWEJDYXRBJFHEY-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO CCn1ccnc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000554547964 384749440 /nfs/dbraw/zinc/74/94/40/384749440.db2.gz IUZKJERMUFVPJW-VIFPVBQESA-N 1 2 242.298 0.467 20 0 BCADLO CC[C@H](CO)N(C)C(=O)Cn1cc[nH+]c1 ZINC000379079326 384750894 /nfs/dbraw/zinc/75/08/94/384750894.db2.gz FMRZFZHEKOXXBB-SECBINFHSA-N 1 2 211.265 0.112 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000176753955 384762703 /nfs/dbraw/zinc/76/27/03/384762703.db2.gz KHBDQHULVQVJDF-JTQLQIEISA-N 1 2 227.333 0.676 20 0 BCADLO Cc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1C ZINC000125995457 384763851 /nfs/dbraw/zinc/76/38/51/384763851.db2.gz IUILZLQJJLZTFP-UHFFFAOYSA-N 1 2 247.342 0.911 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000557043027 384766164 /nfs/dbraw/zinc/76/61/64/384766164.db2.gz UQRFFNONUVADAI-LLVKDONJSA-N 1 2 245.286 0.970 20 0 BCADLO COC(=O)[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000309987301 384767481 /nfs/dbraw/zinc/76/74/81/384767481.db2.gz YWAJUZFVSPLMPF-SNVBAGLBSA-N 1 2 225.248 0.121 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)on1 ZINC000290839314 384818067 /nfs/dbraw/zinc/81/80/67/384818067.db2.gz YIOXNUDCHYOUFS-MRVPVSSYSA-N 1 2 247.320 0.183 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000104412048 384827828 /nfs/dbraw/zinc/82/78/28/384827828.db2.gz BLEIJQWCRWUYCN-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000104412048 384827835 /nfs/dbraw/zinc/82/78/35/384827835.db2.gz BLEIJQWCRWUYCN-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000104412048 384827842 /nfs/dbraw/zinc/82/78/42/384827842.db2.gz BLEIJQWCRWUYCN-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000104412048 384827847 /nfs/dbraw/zinc/82/78/47/384827847.db2.gz BLEIJQWCRWUYCN-SECBINFHSA-N 1 2 237.307 0.926 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cncc(O)c1 ZINC000104416631 384828912 /nfs/dbraw/zinc/82/89/12/384828912.db2.gz LKLQOQPJELBGSU-VIFPVBQESA-N 1 2 246.270 0.802 20 0 BCADLO COC(=O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186255499 384833043 /nfs/dbraw/zinc/83/30/43/384833043.db2.gz XZWKYXHMLNTGIG-UHFFFAOYSA-N 1 2 238.291 0.163 20 0 BCADLO Cc1nc(C[NH+](CCO)CCO)sc1C ZINC000087396273 384781432 /nfs/dbraw/zinc/78/14/32/384781432.db2.gz QVTGWXSSLOXGJY-UHFFFAOYSA-N 1 2 230.333 0.547 20 0 BCADLO O=C(CC1(O)CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000531062346 384785760 /nfs/dbraw/zinc/78/57/60/384785760.db2.gz OXEIRDYTXLYMMU-UHFFFAOYSA-N 1 2 249.314 0.962 20 0 BCADLO C[C@H](CC(=O)NCCCO)n1cc[nH+]c1 ZINC000518196246 384789832 /nfs/dbraw/zinc/78/98/32/384789832.db2.gz XFTIBCHFCZPIHM-SECBINFHSA-N 1 2 211.265 0.333 20 0 BCADLO CCOCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518196201 384791009 /nfs/dbraw/zinc/79/10/09/384791009.db2.gz WSAGGBYRXHWVIK-SNVBAGLBSA-N 1 2 225.292 0.987 20 0 BCADLO C[C@H](O)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256723 384836639 /nfs/dbraw/zinc/83/66/39/384836639.db2.gz QPPBMUWNCZCMDN-QMMMGPOBSA-N 1 2 222.244 0.052 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361406885 384802051 /nfs/dbraw/zinc/80/20/51/384802051.db2.gz BGAKBFDWJPDSNX-SFYZADRCSA-N 1 2 237.246 0.497 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361406885 384802057 /nfs/dbraw/zinc/80/20/57/384802057.db2.gz BGAKBFDWJPDSNX-SFYZADRCSA-N 1 2 237.246 0.497 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361406883 384803520 /nfs/dbraw/zinc/80/35/20/384803520.db2.gz BGAKBFDWJPDSNX-JGVFFNPUSA-N 1 2 237.246 0.497 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361406883 384803527 /nfs/dbraw/zinc/80/35/27/384803527.db2.gz BGAKBFDWJPDSNX-JGVFFNPUSA-N 1 2 237.246 0.497 20 0 BCADLO Cc1ccnc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000083872205 384806743 /nfs/dbraw/zinc/80/67/43/384806743.db2.gz NSSKMHSOAZWROP-SECBINFHSA-N 1 2 221.260 0.317 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C1CCC1 ZINC000449646496 384810331 /nfs/dbraw/zinc/81/03/31/384810331.db2.gz BNQPMFQMEBSXBZ-ONGXEEELSA-N 1 2 237.303 0.549 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C1CCC1 ZINC000449646493 384813093 /nfs/dbraw/zinc/81/30/93/384813093.db2.gz BNQPMFQMEBSXBZ-KOLCDFICSA-N 1 2 237.303 0.549 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000103148349 384813260 /nfs/dbraw/zinc/81/32/60/384813260.db2.gz VSLHARDFTSKTSF-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000103148349 384813266 /nfs/dbraw/zinc/81/32/66/384813266.db2.gz VSLHARDFTSKTSF-JTQLQIEISA-N 1 2 231.292 0.285 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000398222010 384854596 /nfs/dbraw/zinc/85/45/96/384854596.db2.gz DNQISKXEZOMYLP-ZETCQYMHSA-N 1 2 228.321 0.667 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccncc1 ZINC000163753634 384856596 /nfs/dbraw/zinc/85/65/96/384856596.db2.gz WTYFXJRDSNPZIM-GHMZBOCLSA-N 1 2 236.271 0.190 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccncc1 ZINC000163753634 384856605 /nfs/dbraw/zinc/85/66/05/384856605.db2.gz WTYFXJRDSNPZIM-GHMZBOCLSA-N 1 2 236.271 0.190 20 0 BCADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000112554474 384860078 /nfs/dbraw/zinc/86/00/78/384860078.db2.gz OFZYUBZPFHFMKG-ZCFIWIBFSA-N 1 2 206.249 0.640 20 0 BCADLO CO[C@@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308606421 384863942 /nfs/dbraw/zinc/86/39/42/384863942.db2.gz LSFWTFVZOOXABM-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+](CCN1CCOCC1)Cc1nccs1 ZINC000175099854 384868499 /nfs/dbraw/zinc/86/84/99/384868499.db2.gz GCJHDUWFJSKZLW-UHFFFAOYSA-N 1 2 241.360 0.907 20 0 BCADLO C[N@@H+](CCN1CCOCC1)Cc1nccs1 ZINC000175099854 384868511 /nfs/dbraw/zinc/86/85/11/384868511.db2.gz GCJHDUWFJSKZLW-UHFFFAOYSA-N 1 2 241.360 0.907 20 0 BCADLO CC[C@H](CCO)NC(=O)NCc1c[nH+]cn1C ZINC000358931808 384868995 /nfs/dbraw/zinc/86/89/95/384868995.db2.gz RVXJQHXXHAGLPB-SECBINFHSA-N 1 2 240.307 0.380 20 0 BCADLO CCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289716318 384893388 /nfs/dbraw/zinc/89/33/88/384893388.db2.gz WYNSUOAXDTXREH-UHFFFAOYSA-N 1 2 215.278 0.048 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)C[C@H]1CCCO1 ZINC000177176259 384900453 /nfs/dbraw/zinc/90/04/53/384900453.db2.gz NKTVNQUYYYWGOP-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1ncnn1C)C[C@H]1CCCO1 ZINC000177176259 384900457 /nfs/dbraw/zinc/90/04/57/384900457.db2.gz NKTVNQUYYYWGOP-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364045667 384902695 /nfs/dbraw/zinc/90/26/95/384902695.db2.gz WALJVDZQWNFHBB-NXEZZACHSA-N 1 2 237.303 0.190 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000360185331 384904062 /nfs/dbraw/zinc/90/40/62/384904062.db2.gz YFVAFQWHIDLFBZ-DTWKUNHWSA-N 1 2 225.292 0.945 20 0 BCADLO Cn1c[nH+]cc1CNc1cnccc1CO ZINC000127703673 384910186 /nfs/dbraw/zinc/91/01/86/384910186.db2.gz HOFBLYODXYWKPB-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO C[C@@H](O)CC[N@H+](C)Cc1csnn1 ZINC000127686766 384910981 /nfs/dbraw/zinc/91/09/81/384910981.db2.gz DRFOBVNVTXBDFW-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO C[C@@H](O)CC[N@@H+](C)Cc1csnn1 ZINC000127686766 384910985 /nfs/dbraw/zinc/91/09/85/384910985.db2.gz DRFOBVNVTXBDFW-SSDOTTSWSA-N 1 2 201.295 0.741 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000115741389 384959026 /nfs/dbraw/zinc/95/90/26/384959026.db2.gz VLZHMBWXHHYUKR-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCCC1 ZINC000115741389 384959030 /nfs/dbraw/zinc/95/90/30/384959030.db2.gz VLZHMBWXHHYUKR-NSHDSACASA-N 1 2 226.320 0.720 20 0 BCADLO COc1cnc(C(=O)Nc2cc[nH+]c(C)c2)nc1 ZINC000340230604 384959249 /nfs/dbraw/zinc/95/92/49/384959249.db2.gz IGBVPTQXAUXZLD-UHFFFAOYSA-N 1 2 244.254 0.863 20 0 BCADLO C[C@H](O)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127583060 384921300 /nfs/dbraw/zinc/92/13/00/384921300.db2.gz CQPBJUUAICIWDL-VIFPVBQESA-N 1 2 246.270 0.378 20 0 BCADLO Cc1cnc(NC[C@H]2C[NH+]3CCN2CC3)nc1 ZINC000301839712 384937039 /nfs/dbraw/zinc/93/70/39/384937039.db2.gz OJUMTPXIJVJDLN-NSHDSACASA-N 1 2 233.319 0.197 20 0 BCADLO Cc1cnc(NC[C@H]2CN3CC[NH+]2CC3)nc1 ZINC000301839712 384937046 /nfs/dbraw/zinc/93/70/46/384937046.db2.gz OJUMTPXIJVJDLN-NSHDSACASA-N 1 2 233.319 0.197 20 0 BCADLO O=C(/C=C/C1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000370823434 384941540 /nfs/dbraw/zinc/94/15/40/384941540.db2.gz IXFRTFCFZQOMQR-AAOUONPWSA-N 1 2 235.331 0.069 20 0 BCADLO CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175680283 384942497 /nfs/dbraw/zinc/94/24/97/384942497.db2.gz BANFGPOBPXQAMX-UHFFFAOYSA-N 1 2 214.246 0.240 20 0 BCADLO Cc1nnc(C[N@H+](CCCO)C2CC2)[nH]1 ZINC000404313209 384970912 /nfs/dbraw/zinc/97/09/12/384970912.db2.gz REKNQAIWCQUKDN-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@@H+](CCCO)C2CC2)[nH]1 ZINC000404313209 384970918 /nfs/dbraw/zinc/97/09/18/384970918.db2.gz REKNQAIWCQUKDN-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)sc1C ZINC000235944061 384987665 /nfs/dbraw/zinc/98/76/65/384987665.db2.gz QBSWPSUOZDNTJB-IUCAKERBSA-N 1 2 228.317 0.297 20 0 BCADLO CC(C)n1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000086331450 385010068 /nfs/dbraw/zinc/01/00/68/385010068.db2.gz UOTVLSGSZDYSQO-PHIMTYICSA-N 1 2 225.292 0.001 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000086331450 385010073 /nfs/dbraw/zinc/01/00/73/385010073.db2.gz UOTVLSGSZDYSQO-PHIMTYICSA-N 1 2 225.292 0.001 20 0 BCADLO C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1nnc[nH]1 ZINC000226408278 385010789 /nfs/dbraw/zinc/01/07/89/385010789.db2.gz NTVMFKIFTBJEOK-WPRPVWTQSA-N 1 2 245.286 0.682 20 0 BCADLO Cc1cc(C[NH2+]Cc2cn(C)nn2)sn1 ZINC000404465945 385014786 /nfs/dbraw/zinc/01/47/86/385014786.db2.gz XCSWAMGOWHXXMA-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CSC ZINC000361633804 385057492 /nfs/dbraw/zinc/05/74/92/385057492.db2.gz XHPMFBIUNHOTFU-SFYZADRCSA-N 1 2 221.322 0.204 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CSC ZINC000361633804 385057495 /nfs/dbraw/zinc/05/74/95/385057495.db2.gz XHPMFBIUNHOTFU-SFYZADRCSA-N 1 2 221.322 0.204 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105919184 385059904 /nfs/dbraw/zinc/05/99/04/385059904.db2.gz JGDDBDAJTNUGNQ-SECBINFHSA-N 1 2 211.265 0.343 20 0 BCADLO COC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000105979702 385062984 /nfs/dbraw/zinc/06/29/84/385062984.db2.gz ZIFZSQHLWHQLKS-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO COC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000105979702 385062992 /nfs/dbraw/zinc/06/29/92/385062992.db2.gz ZIFZSQHLWHQLKS-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000644658736 385067664 /nfs/dbraw/zinc/06/76/64/385067664.db2.gz OWTMPMOIGOZRJK-SNVBAGLBSA-N 1 2 236.319 0.914 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000644658736 385067672 /nfs/dbraw/zinc/06/76/72/385067672.db2.gz OWTMPMOIGOZRJK-SNVBAGLBSA-N 1 2 236.319 0.914 20 0 BCADLO CCC(O)(CC)CNC(=O)CCn1cc[nH+]c1 ZINC000087038995 385069599 /nfs/dbraw/zinc/06/95/99/385069599.db2.gz CLBUVYVSIURYEL-UHFFFAOYSA-N 1 2 239.319 0.941 20 0 BCADLO CCOC[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000068951189 385074296 /nfs/dbraw/zinc/07/42/96/385074296.db2.gz MXELEZZUQBCJOD-JTQLQIEISA-N 1 2 225.292 0.096 20 0 BCADLO CN(CCCO)c1[nH+]cnc2c1cnn2C ZINC000300883650 385024902 /nfs/dbraw/zinc/02/49/02/385024902.db2.gz ZUPZKUTWKNBVMS-UHFFFAOYSA-N 1 2 221.264 0.182 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)[C@@H](O)C1 ZINC000236098605 385027828 /nfs/dbraw/zinc/02/78/28/385027828.db2.gz QWKBVCMYFBHNJW-PHIMTYICSA-N 1 2 233.271 0.115 20 0 BCADLO CCC[C@H](O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000644619283 385028741 /nfs/dbraw/zinc/02/87/41/385028741.db2.gz SOCKAPIPLFKFJL-NSHDSACASA-N 1 2 237.303 0.776 20 0 BCADLO Cc1cnc(C(=O)NCc2c[nH+]cn2C)o1 ZINC000291877692 385031458 /nfs/dbraw/zinc/03/14/58/385031458.db2.gz XCCQXJAMCLGOPG-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO COC[C@H](C)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000360617666 385042847 /nfs/dbraw/zinc/04/28/47/385042847.db2.gz IOXBIHHIFAQPJF-VHSXEESVSA-N 1 2 239.319 0.955 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000360617665 385042880 /nfs/dbraw/zinc/04/28/80/385042880.db2.gz IOXBIHHIFAQPJF-UWVGGRQHSA-N 1 2 239.319 0.955 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](O)C1(C)C ZINC000129148002 385113791 /nfs/dbraw/zinc/11/37/91/385113791.db2.gz PGDYZACISUUEQH-DTWKUNHWSA-N 1 2 247.302 0.935 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@H](CCO)C2)c1Cl ZINC000236389995 385118159 /nfs/dbraw/zinc/11/81/59/385118159.db2.gz NEHVYHJWCCSJPZ-SSDOTTSWSA-N 1 2 242.710 0.921 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@H](CCO)C2)c1Cl ZINC000236389995 385118165 /nfs/dbraw/zinc/11/81/65/385118165.db2.gz NEHVYHJWCCSJPZ-SSDOTTSWSA-N 1 2 242.710 0.921 20 0 BCADLO C[NH2+]CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000157241388 385118831 /nfs/dbraw/zinc/11/88/31/385118831.db2.gz UVPKQIVPSFJLBJ-UHFFFAOYSA-N 1 2 231.259 0.630 20 0 BCADLO O=C(C[N@@H+]1CCOCC12CC2)N1CCCCC1 ZINC000336337361 385118910 /nfs/dbraw/zinc/11/89/10/385118910.db2.gz BFQNIICEHZBYAM-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO O=C(C[N@H+]1CCOCC12CC2)N1CCCCC1 ZINC000336337361 385118917 /nfs/dbraw/zinc/11/89/17/385118917.db2.gz BFQNIICEHZBYAM-UHFFFAOYSA-N 1 2 238.331 0.864 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714378 385129324 /nfs/dbraw/zinc/12/93/24/385129324.db2.gz ASSGFNLXGFXMPH-CPOMMVLXSA-N 1 2 249.318 0.239 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714378 385129327 /nfs/dbraw/zinc/12/93/27/385129327.db2.gz ASSGFNLXGFXMPH-CPOMMVLXSA-N 1 2 249.318 0.239 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000407952874 385130634 /nfs/dbraw/zinc/13/06/34/385130634.db2.gz APYWCTUMWWZBER-UHFFFAOYSA-N 1 2 226.280 0.091 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000407952874 385130642 /nfs/dbraw/zinc/13/06/42/385130642.db2.gz APYWCTUMWWZBER-UHFFFAOYSA-N 1 2 226.280 0.091 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1CC[C@H](O)C1 ZINC000061709143 385133559 /nfs/dbraw/zinc/13/35/59/385133559.db2.gz ARCAFVXOEBZMPW-VIFPVBQESA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1occc1C[N@H+]1CC[C@H](O)C1 ZINC000061709143 385133568 /nfs/dbraw/zinc/13/35/68/385133568.db2.gz ARCAFVXOEBZMPW-VIFPVBQESA-N 1 2 225.244 0.633 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000644715372 385133917 /nfs/dbraw/zinc/13/39/17/385133917.db2.gz XYOONCVRAKITNX-BRPSZJMVSA-N 1 2 223.276 0.302 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)no1 ZINC000644715372 385133922 /nfs/dbraw/zinc/13/39/22/385133922.db2.gz XYOONCVRAKITNX-BRPSZJMVSA-N 1 2 223.276 0.302 20 0 BCADLO CCC[C@@](C)([NH2+]CCCO)C(=O)OC ZINC000304004646 385094681 /nfs/dbraw/zinc/09/46/81/385094681.db2.gz JCKGMCJSBTXCSK-SNVBAGLBSA-N 1 2 203.282 0.690 20 0 BCADLO CO[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1OC ZINC000313003429 385101331 /nfs/dbraw/zinc/10/13/31/385101331.db2.gz WMYRJCAWNLTCTP-AOOOYVTPSA-N 1 2 245.319 0.674 20 0 BCADLO CO[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1OC ZINC000313003429 385101336 /nfs/dbraw/zinc/10/13/36/385101336.db2.gz WMYRJCAWNLTCTP-AOOOYVTPSA-N 1 2 245.319 0.674 20 0 BCADLO Cc1ccoc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000449773679 385201524 /nfs/dbraw/zinc/20/15/24/385201524.db2.gz NJAKBLYJDSYURQ-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO Cc1ccoc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000449773679 385201530 /nfs/dbraw/zinc/20/15/30/385201530.db2.gz NJAKBLYJDSYURQ-JTQLQIEISA-N 1 2 238.287 0.664 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000428208704 385184934 /nfs/dbraw/zinc/18/49/34/385184934.db2.gz FEKRYIZSXRZPLV-QMMMGPOBSA-N 1 2 209.297 0.249 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000428208704 385184939 /nfs/dbraw/zinc/18/49/39/385184939.db2.gz FEKRYIZSXRZPLV-QMMMGPOBSA-N 1 2 209.297 0.249 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000177128686 385185069 /nfs/dbraw/zinc/18/50/69/385185069.db2.gz MRPYDZWJQLZUQV-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO COC[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000189461888 385157692 /nfs/dbraw/zinc/15/76/92/385157692.db2.gz XUKCIKDVKOFUHV-NXEZZACHSA-N 1 2 225.292 0.645 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000177985182 385157777 /nfs/dbraw/zinc/15/77/77/385157777.db2.gz OZDYZXBGKFIGCJ-LDYMZIIASA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000177985182 385157784 /nfs/dbraw/zinc/15/77/84/385157784.db2.gz OZDYZXBGKFIGCJ-LDYMZIIASA-N 1 2 241.291 0.734 20 0 BCADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(O)CC1 ZINC000189552862 385164143 /nfs/dbraw/zinc/16/41/43/385164143.db2.gz OIXLVOPNJKUEOZ-QMMMGPOBSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288790266 385172777 /nfs/dbraw/zinc/17/27/77/385172777.db2.gz JZUBQTMWRKABRR-VIFPVBQESA-N 1 2 248.282 0.734 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288790266 385172783 /nfs/dbraw/zinc/17/27/83/385172783.db2.gz JZUBQTMWRKABRR-VIFPVBQESA-N 1 2 248.282 0.734 20 0 BCADLO O[C@H]1C[NH+](Cc2ccncc2Cl)C[C@@H]1O ZINC000236594825 385174428 /nfs/dbraw/zinc/17/44/28/385174428.db2.gz JNSLHLUVWWMORS-UWVGGRQHSA-N 1 2 228.679 0.272 20 0 BCADLO CC[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000308808785 385177062 /nfs/dbraw/zinc/17/70/62/385177062.db2.gz BPQJKPVFLHJSCX-NXEZZACHSA-N 1 2 215.293 0.953 20 0 BCADLO CN(C(=O)CCn1cc[nH+]c1)C1CCOCC1 ZINC000080505951 385180022 /nfs/dbraw/zinc/18/00/22/385180022.db2.gz AKKZZZNQWFYHSE-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cccnc1 ZINC000063224072 385217263 /nfs/dbraw/zinc/21/72/63/385217263.db2.gz MLKZINBEWYAQFS-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cccnc1 ZINC000063224072 385217264 /nfs/dbraw/zinc/21/72/64/385217264.db2.gz MLKZINBEWYAQFS-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCSC1 ZINC000290700290 385256588 /nfs/dbraw/zinc/25/65/88/385256588.db2.gz JXEQHQGAXLZVJU-QMMMGPOBSA-N 1 2 240.332 0.725 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)no1 ZINC000331465371 385247053 /nfs/dbraw/zinc/24/70/53/385247053.db2.gz JVFRNBUETINYHE-AXFHLTTASA-N 1 2 237.303 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)no1 ZINC000331465371 385247061 /nfs/dbraw/zinc/24/70/61/385247061.db2.gz JVFRNBUETINYHE-AXFHLTTASA-N 1 2 237.303 0.971 20 0 BCADLO Cc1cnc(N[C@@H](C)C[NH+]2CCOCC2)nc1 ZINC000063048805 385205854 /nfs/dbraw/zinc/20/58/54/385205854.db2.gz VDLUZEXWIAWXPC-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154104442 385302211 /nfs/dbraw/zinc/30/22/11/385302211.db2.gz ULZIKBVUMQEJGU-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO CCCNC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154104442 385302217 /nfs/dbraw/zinc/30/22/17/385302217.db2.gz ULZIKBVUMQEJGU-UHFFFAOYSA-N 1 2 226.320 0.768 20 0 BCADLO Cc1nc(C[NH2+]CC(=O)NCC(F)F)cs1 ZINC000280406655 385305418 /nfs/dbraw/zinc/30/54/18/385305418.db2.gz YDNZGDFNXWTJJV-UHFFFAOYSA-N 1 2 249.286 0.922 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)OC ZINC000308960713 385314345 /nfs/dbraw/zinc/31/43/45/385314345.db2.gz RXMMSKMLNLTPSD-AEJSXWLSSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)n[nH]c1C ZINC000131230560 385318645 /nfs/dbraw/zinc/31/86/45/385318645.db2.gz KKNPIDOBBKXCAO-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000131230560 385318650 /nfs/dbraw/zinc/31/86/50/385318650.db2.gz KKNPIDOBBKXCAO-NSHDSACASA-N 1 2 236.319 0.737 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000308965639 385319120 /nfs/dbraw/zinc/31/91/20/385319120.db2.gz VKSRUPFREZDKCY-SCZZXKLOSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccon1 ZINC000408056748 385320197 /nfs/dbraw/zinc/32/01/97/385320197.db2.gz LAICCKLUBMORSS-PSASIEDQSA-N 1 2 239.275 0.182 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccon1 ZINC000408056748 385320200 /nfs/dbraw/zinc/32/02/00/385320200.db2.gz LAICCKLUBMORSS-PSASIEDQSA-N 1 2 239.275 0.182 20 0 BCADLO Cc1nnsc1C(=O)NCc1[nH+]ccn1C ZINC000019563670 385269097 /nfs/dbraw/zinc/26/90/97/385269097.db2.gz XPZAXTSINYBMGF-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO Cn1ncc2c1nc(NC1CCOCC1)[nH+]c2N ZINC000191038929 385277052 /nfs/dbraw/zinc/27/70/52/385277052.db2.gz JRDGEEMJWYLORJ-UHFFFAOYSA-N 1 2 248.290 0.536 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCC2CC2)CCOC1 ZINC000308908113 385283866 /nfs/dbraw/zinc/28/38/66/385283866.db2.gz CZPKXAMYNUTVFH-LLVKDONJSA-N 1 2 213.277 0.708 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC12CC2 ZINC000424992042 385285332 /nfs/dbraw/zinc/28/53/32/385285332.db2.gz UXQFVDKTBPHKLQ-VIFPVBQESA-N 1 2 205.261 0.942 20 0 BCADLO COC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000648341213 385289529 /nfs/dbraw/zinc/28/95/29/385289529.db2.gz PEWCPBYCRCAXOT-UHFFFAOYSA-N 1 2 206.245 0.929 20 0 BCADLO C[N@H+](Cc1ncnn1C(C)(C)C)C1CC(O)C1 ZINC000407983707 385294156 /nfs/dbraw/zinc/29/41/56/385294156.db2.gz RYSGSGOANYDMLM-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO C[N@@H+](Cc1ncnn1C(C)(C)C)C1CC(O)C1 ZINC000407983707 385294158 /nfs/dbraw/zinc/29/41/58/385294158.db2.gz RYSGSGOANYDMLM-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCC(C)C)CCOC1 ZINC000308924781 385296799 /nfs/dbraw/zinc/29/67/99/385296799.db2.gz HXJMPFSGFBFRPP-LLVKDONJSA-N 1 2 215.293 0.954 20 0 BCADLO COc1nc(C(=O)NCCc2[nH]cc[nH+]2)co1 ZINC000625449519 385301329 /nfs/dbraw/zinc/30/13/29/385301329.db2.gz DJYSMTUSRNJFKB-UHFFFAOYSA-N 1 2 236.231 0.379 20 0 BCADLO COC(=O)c1cc(C[NH+]2CCOCC2)c[nH]1 ZINC000154497624 385332345 /nfs/dbraw/zinc/33/23/45/385332345.db2.gz QIFKSNWEDHHRQR-UHFFFAOYSA-N 1 2 224.260 0.634 20 0 BCADLO Cc1nc(C(=O)N2CCn3cc[nH+]c3C2)c[nH]1 ZINC000407994476 385334141 /nfs/dbraw/zinc/33/41/41/385334141.db2.gz BZLJOVBQUMBOFC-UHFFFAOYSA-N 1 2 231.259 0.571 20 0 BCADLO C[N@H+](Cc1cocn1)CC(C)(CO)CO ZINC000191944208 385334337 /nfs/dbraw/zinc/33/43/37/385334337.db2.gz MVYIECJNCLLRHC-UHFFFAOYSA-N 1 2 214.265 0.097 20 0 BCADLO C[N@@H+](Cc1cocn1)CC(C)(CO)CO ZINC000191944208 385334340 /nfs/dbraw/zinc/33/43/40/385334340.db2.gz MVYIECJNCLLRHC-UHFFFAOYSA-N 1 2 214.265 0.097 20 0 BCADLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000178188325 385343403 /nfs/dbraw/zinc/34/34/03/385343403.db2.gz HVVGCABZVVULGV-NSHDSACASA-N 1 2 246.314 0.092 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000178282840 385350190 /nfs/dbraw/zinc/35/01/90/385350190.db2.gz UDAPZYGDPKLTCL-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000178282840 385350196 /nfs/dbraw/zinc/35/01/96/385350196.db2.gz UDAPZYGDPKLTCL-SNVBAGLBSA-N 1 2 208.261 0.908 20 0 BCADLO COC(=O)[C@H](C)[N@H+](CC(=O)N(C)C)C1CCC1 ZINC000192384566 385355423 /nfs/dbraw/zinc/35/54/23/385355423.db2.gz UKIMOOVKVWZRGQ-VIFPVBQESA-N 1 2 242.319 0.491 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](CC(=O)N(C)C)C1CCC1 ZINC000192384566 385355427 /nfs/dbraw/zinc/35/54/27/385355427.db2.gz UKIMOOVKVWZRGQ-VIFPVBQESA-N 1 2 242.319 0.491 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000359444825 385357300 /nfs/dbraw/zinc/35/73/00/385357300.db2.gz XDXMMNGCVKMXPM-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000359444825 385357304 /nfs/dbraw/zinc/35/73/04/385357304.db2.gz XDXMMNGCVKMXPM-UHFFFAOYSA-N 1 2 233.275 0.946 20 0 BCADLO CO[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154816296 385357665 /nfs/dbraw/zinc/35/76/65/385357665.db2.gz BZFGGTUCFVALLA-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cnn(C)c1 ZINC000154870405 385361692 /nfs/dbraw/zinc/36/16/92/385361692.db2.gz CHEHYWUFKSOCKP-UHFFFAOYSA-N 1 2 247.302 0.779 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cn1cccn1 ZINC000155025509 385369709 /nfs/dbraw/zinc/36/97/09/385369709.db2.gz FLSKGZDMMPNEOV-UHFFFAOYSA-N 1 2 247.302 0.628 20 0 BCADLO COC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000179529904 385376725 /nfs/dbraw/zinc/37/67/25/385376725.db2.gz CIYSLQRWICSWEX-VIFPVBQESA-N 1 2 231.292 0.069 20 0 BCADLO CCOC[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000309028778 385378925 /nfs/dbraw/zinc/37/89/25/385378925.db2.gz CIJOYWXNTULWBU-BDAKNGLRSA-N 1 2 212.297 0.891 20 0 BCADLO COCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408007701 385383934 /nfs/dbraw/zinc/38/39/34/385383934.db2.gz FAEHUZKTGXJMCO-MRVPVSSYSA-N 1 2 227.264 0.601 20 0 BCADLO COCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408007701 385383937 /nfs/dbraw/zinc/38/39/37/385383937.db2.gz FAEHUZKTGXJMCO-MRVPVSSYSA-N 1 2 227.264 0.601 20 0 BCADLO Cc1nnc(NC(=O)C[NH+]2CC(C)(C)C2)n1C ZINC000517039156 385386155 /nfs/dbraw/zinc/38/61/55/385386155.db2.gz BVXVWTKOYFUZEM-UHFFFAOYSA-N 1 2 237.307 0.404 20 0 BCADLO CC(C)(O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408010074 385387858 /nfs/dbraw/zinc/38/78/58/385387858.db2.gz NCHQWBCLRJHDBB-QMMMGPOBSA-N 1 2 241.291 0.726 20 0 BCADLO CC(C)(O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408010074 385387862 /nfs/dbraw/zinc/38/78/62/385387862.db2.gz NCHQWBCLRJHDBB-QMMMGPOBSA-N 1 2 241.291 0.726 20 0 BCADLO Cc1nnc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)s1 ZINC000308983775 385325433 /nfs/dbraw/zinc/32/54/33/385325433.db2.gz JBIFLHUWZMMIQV-UIISKDMLSA-N 1 2 229.305 0.257 20 0 BCADLO CC(C)(O)C(=O)NCCCNc1cccc[nH+]1 ZINC000191819782 385327494 /nfs/dbraw/zinc/32/74/94/385327494.db2.gz LVANHJTXMDPMGY-UHFFFAOYSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000309069669 385393800 /nfs/dbraw/zinc/39/38/00/385393800.db2.gz AXYWESODKJHYFB-GZMMTYOYSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1noc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000364378588 385396541 /nfs/dbraw/zinc/39/65/41/385396541.db2.gz DWSQYRFRFRSJBK-QMMMGPOBSA-N 1 2 247.258 0.198 20 0 BCADLO C[C@H](CCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178610466 385397771 /nfs/dbraw/zinc/39/77/71/385397771.db2.gz MOJCMKFYCNNGFP-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)ccn1 ZINC000170234172 385425577 /nfs/dbraw/zinc/42/55/77/385425577.db2.gz OGHWHJUEHLWEAZ-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364391837 385404217 /nfs/dbraw/zinc/40/42/17/385404217.db2.gz WLCRVCWGDYXXCP-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO Cn1cc(C[N@@H+]2CCOC[C@]23CCOC3)cn1 ZINC000193702196 385408903 /nfs/dbraw/zinc/40/89/03/385408903.db2.gz LJWPYPOZGXSKHU-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cc(C[N@H+]2CCOC[C@]23CCOC3)cn1 ZINC000193702196 385408907 /nfs/dbraw/zinc/40/89/07/385408907.db2.gz LJWPYPOZGXSKHU-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO C=Cn1cc(C[N@H+](CCC)CC(=O)NC)cn1 ZINC000193790812 385413282 /nfs/dbraw/zinc/41/32/82/385413282.db2.gz GYQGBWNNOMAYIP-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO C=Cn1cc(C[N@@H+](CCC)CC(=O)NC)cn1 ZINC000193790812 385413286 /nfs/dbraw/zinc/41/32/86/385413286.db2.gz GYQGBWNNOMAYIP-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO CC(C)c1nc(N[C@@H](C)C(N)=O)cc[nH+]1 ZINC000110395101 385415609 /nfs/dbraw/zinc/41/56/09/385415609.db2.gz SJYYTMDWRPAWGL-ZETCQYMHSA-N 1 2 208.265 0.886 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cn1 ZINC000193874008 385416846 /nfs/dbraw/zinc/41/68/46/385416846.db2.gz LQRLHMCRAVSFHC-GFCCVEGCSA-N 1 2 248.330 0.940 20 0 BCADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cn1 ZINC000193874008 385416850 /nfs/dbraw/zinc/41/68/50/385416850.db2.gz LQRLHMCRAVSFHC-GFCCVEGCSA-N 1 2 248.330 0.940 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cccnc1 ZINC000156138722 385438118 /nfs/dbraw/zinc/43/81/18/385438118.db2.gz UHXXQAGPBDZWKJ-JTQLQIEISA-N 1 2 221.304 0.990 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cccnc1 ZINC000156138722 385438121 /nfs/dbraw/zinc/43/81/21/385438121.db2.gz UHXXQAGPBDZWKJ-JTQLQIEISA-N 1 2 221.304 0.990 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](CO)C1 ZINC000492810567 385439956 /nfs/dbraw/zinc/43/99/56/385439956.db2.gz IGHMZQJIBPUETN-HMDXOVGESA-N 1 2 235.287 0.654 20 0 BCADLO Cc1ccc(C[N@H+](C)CCNS(C)(=O)=O)o1 ZINC000170957757 385458388 /nfs/dbraw/zinc/45/83/88/385458388.db2.gz RAYASAFXEDAIHI-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO Cc1ccc(C[N@@H+](C)CCNS(C)(=O)=O)o1 ZINC000170957757 385458389 /nfs/dbraw/zinc/45/83/89/385458389.db2.gz RAYASAFXEDAIHI-UHFFFAOYSA-N 1 2 246.332 0.569 20 0 BCADLO CSCC[C@@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000194450087 385435191 /nfs/dbraw/zinc/43/51/91/385435191.db2.gz XOKITTSGFJDMOD-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO CSCC[C@@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000194450087 385435194 /nfs/dbraw/zinc/43/51/94/385435194.db2.gz XOKITTSGFJDMOD-MRVPVSSYSA-N 1 2 229.353 0.784 20 0 BCADLO Cn1c[nH+]cc1CN(CCO)Cc1cccnc1 ZINC000156761326 385466850 /nfs/dbraw/zinc/46/68/50/385466850.db2.gz VBNOZQMHXQJXGE-UHFFFAOYSA-N 1 2 246.314 0.810 20 0 BCADLO C[C@@H](O)CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000179509355 385469861 /nfs/dbraw/zinc/46/98/61/385469861.db2.gz AOZCEBRSWSVDMM-SNVBAGLBSA-N 1 2 240.307 0.295 20 0 BCADLO C[C@H](CO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179311389 385459817 /nfs/dbraw/zinc/45/98/17/385459817.db2.gz MNXVBKMLBCZXKG-SECBINFHSA-N 1 2 233.271 0.787 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccon1 ZINC000492904253 385459953 /nfs/dbraw/zinc/45/99/53/385459953.db2.gz WDYYBXYXDOYGMK-OWOJBTEDSA-N 1 2 232.243 0.770 20 0 BCADLO COC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000309196081 385461722 /nfs/dbraw/zinc/46/17/22/385461722.db2.gz QNQQWOLENVSWAW-MNOVXSKESA-N 1 2 213.277 0.707 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179858993 385495457 /nfs/dbraw/zinc/49/54/57/385495457.db2.gz NRCYAWIDNYRNHZ-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179858993 385495459 /nfs/dbraw/zinc/49/54/59/385495459.db2.gz NRCYAWIDNYRNHZ-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1[nH]cc[nH+]1 ZINC000111195170 385500469 /nfs/dbraw/zinc/50/04/69/385500469.db2.gz BQTAODZZJPPZRF-UHFFFAOYSA-N 1 2 224.308 0.756 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)OC ZINC000171632473 385501442 /nfs/dbraw/zinc/50/14/42/385501442.db2.gz ANJFAFFQVMTMPZ-IUCAKERBSA-N 1 2 238.291 0.134 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364724463 385505916 /nfs/dbraw/zinc/50/59/16/385505916.db2.gz XLJXVSUVDMZWBA-UHFFFAOYSA-N 1 2 247.306 0.313 20 0 BCADLO C[C@@]1(O)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000157492504 385506525 /nfs/dbraw/zinc/50/65/25/385506525.db2.gz NVAXEVXVLFOUBT-GFCCVEGCSA-N 1 2 222.288 0.925 20 0 BCADLO CCOCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000106386513 385507297 /nfs/dbraw/zinc/50/72/97/385507297.db2.gz NXTAKSBTZSWFHK-GFCCVEGCSA-N 1 2 230.352 0.411 20 0 BCADLO CC(C)C(=O)NCCN(C)Cc1[nH+]ccn1C ZINC000157715182 385518398 /nfs/dbraw/zinc/51/83/98/385518398.db2.gz KNBGSYZXCPLSQN-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1nccn1C ZINC000157715182 385518399 /nfs/dbraw/zinc/51/83/99/385518399.db2.gz KNBGSYZXCPLSQN-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1nccn1C ZINC000157715182 385518402 /nfs/dbraw/zinc/51/84/02/385518402.db2.gz KNBGSYZXCPLSQN-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)C1CC(=O)C1 ZINC000364877596 385533145 /nfs/dbraw/zinc/53/31/45/385533145.db2.gz HFSYBTXCDXPFNJ-SECBINFHSA-N 1 2 247.298 0.856 20 0 BCADLO Cc1nnc(C[NH2+][C@](C)(C(N)=O)C(C)C)s1 ZINC000289454296 385542984 /nfs/dbraw/zinc/54/29/84/385542984.db2.gz XPJUMZYUKYBOSL-JTQLQIEISA-N 1 2 242.348 0.836 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@@H]1O ZINC000493110664 385522628 /nfs/dbraw/zinc/52/26/28/385522628.db2.gz BJEUZGWWUNFPDE-NBYFHADBSA-N 1 2 235.287 0.652 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000408064166 385525433 /nfs/dbraw/zinc/52/54/33/385525433.db2.gz UOLKYSNCLQDDPC-QMMMGPOBSA-N 1 2 208.265 0.025 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000408064166 385525435 /nfs/dbraw/zinc/52/54/35/385525435.db2.gz UOLKYSNCLQDDPC-QMMMGPOBSA-N 1 2 208.265 0.025 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cncs2)CC1 ZINC000157836717 385526826 /nfs/dbraw/zinc/52/68/26/385526826.db2.gz FUYJWHWFULCUHH-UHFFFAOYSA-N 1 2 225.317 0.807 20 0 BCADLO CN(CCCO)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000302466742 385528065 /nfs/dbraw/zinc/52/80/65/385528065.db2.gz PTQGYWMGQJTIIX-UHFFFAOYSA-N 1 2 247.298 0.718 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)NC)C(=O)OC ZINC000309411699 385574346 /nfs/dbraw/zinc/57/43/46/385574346.db2.gz BXYBITBFYURQMU-PSASIEDQSA-N 1 2 230.308 0.300 20 0 BCADLO C[C@@H]([NH2+]CCn1cccn1)c1ncn(C)n1 ZINC000309376496 385555182 /nfs/dbraw/zinc/55/51/82/385555182.db2.gz CRGLBTGGTDPLFC-SECBINFHSA-N 1 2 220.280 0.362 20 0 BCADLO C[C@@H]1COCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493465627 385577749 /nfs/dbraw/zinc/57/77/49/385577749.db2.gz ZBTNXUMVSDEDNE-NBYFHADBSA-N 1 2 235.287 0.964 20 0 BCADLO CCC[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000309466957 385595913 /nfs/dbraw/zinc/59/59/13/385595913.db2.gz POZHYLVLVCEPNS-SNVBAGLBSA-N 1 2 225.292 0.851 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cccnc1 ZINC000041979368 385597279 /nfs/dbraw/zinc/59/72/79/385597279.db2.gz IHKZPHRFTPEZED-UHFFFAOYSA-N 1 2 216.244 0.708 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000354022295 385598832 /nfs/dbraw/zinc/59/88/32/385598832.db2.gz MXOKSCXNZDOMJZ-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(=O)[nH]1 ZINC000340055357 385601427 /nfs/dbraw/zinc/60/14/27/385601427.db2.gz UFMAGIVOPADTBU-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000337314230 385602722 /nfs/dbraw/zinc/60/27/22/385602722.db2.gz BIEOGMGKSWMWOW-VIFPVBQESA-N 1 2 219.244 0.029 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309436862 385579892 /nfs/dbraw/zinc/57/98/92/385579892.db2.gz HLDBGEQJVPXZAG-SFYZADRCSA-N 1 2 228.292 0.195 20 0 BCADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC000408166820 385589912 /nfs/dbraw/zinc/58/99/12/385589912.db2.gz UVOVVZXTYZXYSH-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC[C@H](CO)CC2)c[nH+]1 ZINC000269626173 385615053 /nfs/dbraw/zinc/61/50/53/385615053.db2.gz OSJDYJYIBXIETD-MGCOHNPYSA-N 1 2 237.303 0.999 20 0 BCADLO COC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)OC ZINC000309495960 385615407 /nfs/dbraw/zinc/61/54/07/385615407.db2.gz YJLXUMQVHKJHPH-BBBLOLIVSA-N 1 2 231.292 0.189 20 0 BCADLO Cn1cc(CNc2cccc(CO)[nH+]2)nn1 ZINC000309495965 385616444 /nfs/dbraw/zinc/61/64/44/385616444.db2.gz KESCYCJEOXOUDD-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)OC ZINC000309495962 385617220 /nfs/dbraw/zinc/61/72/20/385617220.db2.gz YJLXUMQVHKJHPH-GUBZILKMSA-N 1 2 231.292 0.189 20 0 BCADLO CC1(C)C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000387769965 385624515 /nfs/dbraw/zinc/62/45/15/385624515.db2.gz BXAJOXLUONTFLJ-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO CC1(C)C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000387769965 385624522 /nfs/dbraw/zinc/62/45/22/385624522.db2.gz BXAJOXLUONTFLJ-VIFPVBQESA-N 1 2 237.307 0.211 20 0 BCADLO O=c1[nH]nc([C@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000408199881 385624600 /nfs/dbraw/zinc/62/46/00/385624600.db2.gz XQTWTNCIIFGXFP-SSDOTTSWSA-N 1 2 212.253 0.030 20 0 BCADLO O=c1[nH]nc([C@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000408199881 385624603 /nfs/dbraw/zinc/62/46/03/385624603.db2.gz XQTWTNCIIFGXFP-SSDOTTSWSA-N 1 2 212.253 0.030 20 0 BCADLO CCCC[N@H+](CCO)Cc1nnc(C)[nH]1 ZINC000336679760 385627709 /nfs/dbraw/zinc/62/77/09/385627709.db2.gz IRAGAIWOYRGPJJ-UHFFFAOYSA-N 1 2 212.297 0.708 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nnc(C)[nH]1 ZINC000336679760 385627718 /nfs/dbraw/zinc/62/77/18/385627718.db2.gz IRAGAIWOYRGPJJ-UHFFFAOYSA-N 1 2 212.297 0.708 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCCNC(C)=O)C1CC1 ZINC000309481692 385608543 /nfs/dbraw/zinc/60/85/43/385608543.db2.gz UCEGXLWLACMYSF-JTQLQIEISA-N 1 2 228.292 0.054 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270058397 385664257 /nfs/dbraw/zinc/66/42/57/385664257.db2.gz HBDNDBZOKLNVGT-ZCFIWIBFSA-N 1 2 225.248 0.257 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000365700731 385639905 /nfs/dbraw/zinc/63/99/05/385639905.db2.gz ZPAWYNWMUJWTLD-ZYHUDNBSSA-N 1 2 235.287 0.463 20 0 BCADLO CO[C@@H](C)c1nsc(NCC[NH+](C)C)n1 ZINC000336682238 385642481 /nfs/dbraw/zinc/64/24/81/385642481.db2.gz JIDGSEUBXVIKDY-ZETCQYMHSA-N 1 2 230.337 0.641 20 0 BCADLO CC[N@H+](CCOCCO)Cc1cocn1 ZINC000337413296 385642717 /nfs/dbraw/zinc/64/27/17/385642717.db2.gz YBUXAUHMBBAEBA-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1cocn1 ZINC000337413296 385642723 /nfs/dbraw/zinc/64/27/23/385642723.db2.gz YBUXAUHMBBAEBA-UHFFFAOYSA-N 1 2 214.265 0.505 20 0 BCADLO CC(C)COCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000337404567 385650195 /nfs/dbraw/zinc/65/01/95/385650195.db2.gz ISMHLFPOHNOEAQ-CYBMUJFWSA-N 1 2 244.379 0.657 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000309520750 385657627 /nfs/dbraw/zinc/65/76/27/385657627.db2.gz AMLANKJYDKFYSI-MXWKQRLJSA-N 1 2 227.304 0.953 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293580788 385660220 /nfs/dbraw/zinc/66/02/20/385660220.db2.gz ASADJTWUCHXGEI-ZJUUUORDSA-N 1 2 236.319 0.957 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005083 385661736 /nfs/dbraw/zinc/66/17/36/385661736.db2.gz JAOQNXZHNRHGKC-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cncc(O)c1 ZINC000340005083 385661741 /nfs/dbraw/zinc/66/17/41/385661741.db2.gz JAOQNXZHNRHGKC-VHSXEESVSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cncc(O)c2)CC[N@H+]1C ZINC000340005086 385662267 /nfs/dbraw/zinc/66/22/67/385662267.db2.gz JAOQNXZHNRHGKC-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1[C@H](C)N(C(=O)c2cncc(O)c2)CC[N@@H+]1C ZINC000340005086 385662274 /nfs/dbraw/zinc/66/22/74/385662274.db2.gz JAOQNXZHNRHGKC-ZJUUUORDSA-N 1 2 249.314 0.952 20 0 BCADLO Cc1nnc(C[N@H+](C)CCOCCO)s1 ZINC000337444284 385663071 /nfs/dbraw/zinc/66/30/71/385663071.db2.gz KXVYSIOPSRIVEW-UHFFFAOYSA-N 1 2 231.321 0.287 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCOCCO)s1 ZINC000337444284 385663076 /nfs/dbraw/zinc/66/30/76/385663076.db2.gz KXVYSIOPSRIVEW-UHFFFAOYSA-N 1 2 231.321 0.287 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337445319 385663337 /nfs/dbraw/zinc/66/33/37/385663337.db2.gz BWTCPSCLQDUNTC-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)N(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000337445319 385663339 /nfs/dbraw/zinc/66/33/39/385663339.db2.gz BWTCPSCLQDUNTC-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000337445319 385663342 /nfs/dbraw/zinc/66/33/42/385663342.db2.gz BWTCPSCLQDUNTC-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCO[C@@H](C)C1 ZINC000337445319 385663346 /nfs/dbraw/zinc/66/33/46/385663346.db2.gz BWTCPSCLQDUNTC-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CCCCN1CC(=O)N[C@@H]1c1c[nH+]cn1C ZINC000270139447 385675146 /nfs/dbraw/zinc/67/51/46/385675146.db2.gz RCZGCSNMLCHLEJ-NSHDSACASA-N 1 2 222.292 0.651 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000309536054 385676036 /nfs/dbraw/zinc/67/60/36/385676036.db2.gz FAPTWNRUJHUZGE-UJURSFKZSA-N 1 2 239.197 0.952 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337472987 385677994 /nfs/dbraw/zinc/67/79/94/385677994.db2.gz WQFAUCWXOKDSQW-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337472987 385677998 /nfs/dbraw/zinc/67/79/98/385677998.db2.gz WQFAUCWXOKDSQW-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000270210895 385685402 /nfs/dbraw/zinc/68/54/02/385685402.db2.gz DRIAWSQEDWQNSD-WPRPVWTQSA-N 1 2 223.276 0.751 20 0 BCADLO C[C@H]([NH2+][C@@H](C)c1nccn1C)C(=O)NCCF ZINC000337547677 385704276 /nfs/dbraw/zinc/70/42/76/385704276.db2.gz MOANEOUCCDFADU-IUCAKERBSA-N 1 2 242.298 0.545 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2cn[nH]c2)c[nH+]1 ZINC000270452394 385709938 /nfs/dbraw/zinc/70/99/38/385709938.db2.gz LBIPPIAUTUIGHQ-ZCFIWIBFSA-N 1 2 219.248 0.932 20 0 BCADLO CO[C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000281907419 385715329 /nfs/dbraw/zinc/71/53/29/385715329.db2.gz QGUREPBSWHZYQD-UWVGGRQHSA-N 1 2 239.319 0.892 20 0 BCADLO CN(C)c1noc(C[NH+]2CCC(CO)CC2)n1 ZINC000185246886 385727605 /nfs/dbraw/zinc/72/76/05/385727605.db2.gz KYBGRROUFBZGGD-UHFFFAOYSA-N 1 2 240.307 0.340 20 0 BCADLO C[C@H](O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000270726889 385736118 /nfs/dbraw/zinc/73/61/18/385736118.db2.gz BIMOIPKANJYVHM-VIFPVBQESA-N 1 2 233.271 0.374 20 0 BCADLO Nc1[nH+]cnc(N2C[C@@H](O)C3(CC3)C2)c1Cl ZINC000309607049 385736977 /nfs/dbraw/zinc/73/69/77/385736977.db2.gz LOMLFTQTVPDCEM-ZCFIWIBFSA-N 1 2 240.694 0.673 20 0 BCADLO Nc1nc[nH+]c(N2C[C@@H](O)C3(CC3)C2)c1Cl ZINC000309607049 385736982 /nfs/dbraw/zinc/73/69/82/385736982.db2.gz LOMLFTQTVPDCEM-ZCFIWIBFSA-N 1 2 240.694 0.673 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)C2CC2)C[NH2+]1 ZINC000365756497 385737328 /nfs/dbraw/zinc/73/73/28/385737328.db2.gz FBGRDILAFMDALY-FKTZTGRPSA-N 1 2 240.303 0.052 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000270741822 385738330 /nfs/dbraw/zinc/73/83/30/385738330.db2.gz GIUNTSOVVGKRCS-QMMMGPOBSA-N 1 2 223.276 0.145 20 0 BCADLO O=C1C[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000270763124 385739682 /nfs/dbraw/zinc/73/96/82/385739682.db2.gz GAJUSCAWJPOVEZ-AAEUAGOBSA-N 1 2 232.283 0.077 20 0 BCADLO O=C1C[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000270763124 385739686 /nfs/dbraw/zinc/73/96/86/385739686.db2.gz GAJUSCAWJPOVEZ-AAEUAGOBSA-N 1 2 232.283 0.077 20 0 BCADLO O=C1C[N@H+]([C@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000270763126 385740866 /nfs/dbraw/zinc/74/08/66/385740866.db2.gz GAJUSCAWJPOVEZ-WCQYABFASA-N 1 2 232.283 0.077 20 0 BCADLO O=C1C[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000270763126 385740868 /nfs/dbraw/zinc/74/08/68/385740868.db2.gz GAJUSCAWJPOVEZ-WCQYABFASA-N 1 2 232.283 0.077 20 0 BCADLO Nc1[nH+]cnc(N2C[C@H]3[C@H](CO)[C@H]3C2)c1Cl ZINC000309623512 385749444 /nfs/dbraw/zinc/74/94/44/385749444.db2.gz PPYGWNJDYZRRMJ-ZMONIFLSSA-N 1 2 240.694 0.387 20 0 BCADLO Nc1nc[nH+]c(N2C[C@H]3[C@H](CO)[C@H]3C2)c1Cl ZINC000309623512 385749448 /nfs/dbraw/zinc/74/94/48/385749448.db2.gz PPYGWNJDYZRRMJ-ZMONIFLSSA-N 1 2 240.694 0.387 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CC(C)(C)OC2=O)c[nH+]1 ZINC000270857128 385752995 /nfs/dbraw/zinc/75/29/95/385752995.db2.gz MPOXXNCRLQGCGL-ZETCQYMHSA-N 1 2 237.259 0.542 20 0 BCADLO CCN(C)C(=O)CNc1cc[nH+]c(C)n1 ZINC000186372262 385757419 /nfs/dbraw/zinc/75/74/19/385757419.db2.gz DUPLZRQVWJPGNG-UHFFFAOYSA-N 1 2 208.265 0.675 20 0 BCADLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccon1 ZINC000336737267 385758026 /nfs/dbraw/zinc/75/80/26/385758026.db2.gz JIENHIVEQJIRDT-MRVPVSSYSA-N 1 2 247.320 0.217 20 0 BCADLO C[N@H+](CCCCO)Cc1csnn1 ZINC000336655553 385758325 /nfs/dbraw/zinc/75/83/25/385758325.db2.gz OZFWAQFYZFANQM-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO C[N@@H+](CCCCO)Cc1csnn1 ZINC000336655553 385758331 /nfs/dbraw/zinc/75/83/31/385758331.db2.gz OZFWAQFYZFANQM-UHFFFAOYSA-N 1 2 201.295 0.742 20 0 BCADLO Cc1nonc1CN(C)Cc1[nH+]ccn1C ZINC000270982431 385767944 /nfs/dbraw/zinc/76/79/44/385767944.db2.gz GIOPEBTVOGOVQM-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000259992216 385787275 /nfs/dbraw/zinc/78/72/75/385787275.db2.gz LHTHSIVWZUDACA-SECBINFHSA-N 1 2 223.276 0.713 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000259992216 385787279 /nfs/dbraw/zinc/78/72/79/385787279.db2.gz LHTHSIVWZUDACA-SECBINFHSA-N 1 2 223.276 0.713 20 0 BCADLO COCCn1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000271031163 385771973 /nfs/dbraw/zinc/77/19/73/385771973.db2.gz HAORLEFBGMOBTL-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO COCCn1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000271031163 385771981 /nfs/dbraw/zinc/77/19/81/385771981.db2.gz HAORLEFBGMOBTL-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CC(C)c1nc(N2CC(O)C2)nc(N(C)C)[nH+]1 ZINC000271043381 385775715 /nfs/dbraw/zinc/77/57/15/385775715.db2.gz GBHBKFOUBCSLRB-UHFFFAOYSA-N 1 2 237.307 0.242 20 0 BCADLO Cc1ccoc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000271043139 385776342 /nfs/dbraw/zinc/77/63/42/385776342.db2.gz OAVKGFPLZGJAIH-UHFFFAOYSA-N 1 2 237.303 0.191 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 ZINC000271048057 385777942 /nfs/dbraw/zinc/77/79/42/385777942.db2.gz NKWGFDNZAOJNRK-UHFFFAOYSA-N 1 2 248.330 0.599 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 ZINC000271048057 385777949 /nfs/dbraw/zinc/77/79/49/385777949.db2.gz NKWGFDNZAOJNRK-UHFFFAOYSA-N 1 2 248.330 0.599 20 0 BCADLO Cc1ccc2[nH+]cc(CN(C)CC(N)=O)n2c1 ZINC000271051963 385778639 /nfs/dbraw/zinc/77/86/39/385778639.db2.gz QFZSNNBECHOLOX-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@]1(C)CCCO1 ZINC000309661297 385779912 /nfs/dbraw/zinc/77/99/12/385779912.db2.gz AYHYTAHADTZTHR-PSASIEDQSA-N 1 2 225.296 0.257 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282698912 385780922 /nfs/dbraw/zinc/78/09/22/385780922.db2.gz JQAIAADELHEENC-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282698912 385780928 /nfs/dbraw/zinc/78/09/28/385780928.db2.gz JQAIAADELHEENC-LLVKDONJSA-N 1 2 242.344 0.644 20 0 BCADLO C[N@H+](CCOCCO)Cc1ncc(C2CC2)o1 ZINC000271085488 385784198 /nfs/dbraw/zinc/78/41/98/385784198.db2.gz NMJGAGUYHDZGNO-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO C[N@@H+](CCOCCO)Cc1ncc(C2CC2)o1 ZINC000271085488 385784202 /nfs/dbraw/zinc/78/42/02/385784202.db2.gz NMJGAGUYHDZGNO-UHFFFAOYSA-N 1 2 240.303 0.993 20 0 BCADLO CC(C)c1nc([C@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000270599118 385723313 /nfs/dbraw/zinc/72/33/13/385723313.db2.gz CTTQPKGWVKYNDE-QMMMGPOBSA-N 1 2 239.323 0.667 20 0 BCADLO OCCC[N@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000270652758 385726377 /nfs/dbraw/zinc/72/63/77/385726377.db2.gz UFJPGPLYKSHYNX-UHFFFAOYSA-N 1 2 240.303 0.729 20 0 BCADLO OCCC[N@@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000270652758 385726382 /nfs/dbraw/zinc/72/63/82/385726382.db2.gz UFJPGPLYKSHYNX-UHFFFAOYSA-N 1 2 240.303 0.729 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000185241821 385726718 /nfs/dbraw/zinc/72/67/18/385726718.db2.gz LIDREZIYNJDERG-VIFPVBQESA-N 1 2 240.307 0.340 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000185241821 385726722 /nfs/dbraw/zinc/72/67/22/385726722.db2.gz LIDREZIYNJDERG-VIFPVBQESA-N 1 2 240.307 0.340 20 0 BCADLO Cn1ccc(C[N@H+](C)CCn2cccn2)n1 ZINC000271183827 385801089 /nfs/dbraw/zinc/80/10/89/385801089.db2.gz MUXUWKVLBKSBNO-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO Cn1ccc(C[N@@H+](C)CCn2cccn2)n1 ZINC000271183827 385801092 /nfs/dbraw/zinc/80/10/92/385801092.db2.gz MUXUWKVLBKSBNO-UHFFFAOYSA-N 1 2 219.292 0.749 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccnn1C ZINC000283008863 385803304 /nfs/dbraw/zinc/80/33/04/385803304.db2.gz GZRWMRQVQYXKEY-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccnn1C ZINC000283008863 385803310 /nfs/dbraw/zinc/80/33/10/385803310.db2.gz GZRWMRQVQYXKEY-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336737536 385803349 /nfs/dbraw/zinc/80/33/49/385803349.db2.gz JMOJJGPUBCFSRF-XVKPBYJWSA-N 1 2 226.280 0.151 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2cnn(C)n2)c[nH+]1 ZINC000294104911 385805834 /nfs/dbraw/zinc/80/58/34/385805834.db2.gz UKCDAFUPJBBBPO-UHFFFAOYSA-N 1 2 248.290 0.209 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCOC1 ZINC000294498565 385856923 /nfs/dbraw/zinc/85/69/23/385856923.db2.gz SNXHEMGNMISJJY-UHFFFAOYSA-N 1 2 209.249 0.480 20 0 BCADLO CCOC(=O)C1(C)CC([NH2+][C@@H](C)C(=O)OC)C1 ZINC000602634747 385811807 /nfs/dbraw/zinc/81/18/07/385811807.db2.gz PENRXRXUGFGCDF-QTZUAFFRSA-N 1 2 243.303 0.869 20 0 BCADLO COC(=O)C[N@H+](C)CCOCC(F)F ZINC000188630561 385817205 /nfs/dbraw/zinc/81/72/05/385817205.db2.gz WIKJASQXFXCGMI-UHFFFAOYSA-N 1 2 211.208 0.373 20 0 BCADLO COC(=O)C[N@@H+](C)CCOCC(F)F ZINC000188630561 385817207 /nfs/dbraw/zinc/81/72/07/385817207.db2.gz WIKJASQXFXCGMI-UHFFFAOYSA-N 1 2 211.208 0.373 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cn[nH]c2C)C[C@@H]1O ZINC000271335805 385818594 /nfs/dbraw/zinc/81/85/94/385818594.db2.gz NROUQUOTGQYUJK-ONGXEEELSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@@H]1O ZINC000271335805 385818599 /nfs/dbraw/zinc/81/85/99/385818599.db2.gz NROUQUOTGQYUJK-ONGXEEELSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cn[nH]c2C)C[C@H]1O ZINC000271335798 385819332 /nfs/dbraw/zinc/81/93/32/385819332.db2.gz NROUQUOTGQYUJK-GXSJLCMTSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@H]1O ZINC000271335798 385819333 /nfs/dbraw/zinc/81/93/33/385819333.db2.gz NROUQUOTGQYUJK-GXSJLCMTSA-N 1 2 209.293 0.921 20 0 BCADLO COCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283519505 385821129 /nfs/dbraw/zinc/82/11/29/385821129.db2.gz QNVAIVHJBSCCHV-NWALNABHSA-N 1 2 223.276 0.964 20 0 BCADLO CC1(C)SC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000283514764 385821437 /nfs/dbraw/zinc/82/14/37/385821437.db2.gz ZTMPDXXMKUSAQX-QMMMGPOBSA-N 1 2 225.317 0.893 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccnc1 ZINC000186989835 385822025 /nfs/dbraw/zinc/82/20/25/385822025.db2.gz HALFGEFNYAKBHS-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccnc1 ZINC000186989835 385822028 /nfs/dbraw/zinc/82/20/28/385822028.db2.gz HALFGEFNYAKBHS-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO Cc1csc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1 ZINC000261930958 385825467 /nfs/dbraw/zinc/82/54/67/385825467.db2.gz LSAJJAWCMVONIX-SFYZADRCSA-N 1 2 241.316 0.767 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000187020476 385827002 /nfs/dbraw/zinc/82/70/02/385827002.db2.gz LGHWFZKIYBEIFF-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000187020476 385827004 /nfs/dbraw/zinc/82/70/04/385827004.db2.gz LGHWFZKIYBEIFF-SNVBAGLBSA-N 1 2 242.319 0.491 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2ccon2)c[nH+]1 ZINC000271439830 385828817 /nfs/dbraw/zinc/82/88/17/385828817.db2.gz PQUIJZZFAUPGNM-UHFFFAOYSA-N 1 2 220.232 0.679 20 0 BCADLO CC[N@H+](C[C@@H]1CN(C)C(=O)O1)C1COC1 ZINC000496026562 385829519 /nfs/dbraw/zinc/82/95/19/385829519.db2.gz YUAOFXDCPIKXIU-VIFPVBQESA-N 1 2 214.265 0.158 20 0 BCADLO CC[N@@H+](C[C@@H]1CN(C)C(=O)O1)C1COC1 ZINC000496026562 385829524 /nfs/dbraw/zinc/82/95/24/385829524.db2.gz YUAOFXDCPIKXIU-VIFPVBQESA-N 1 2 214.265 0.158 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)s1 ZINC000271501912 385834363 /nfs/dbraw/zinc/83/43/63/385834363.db2.gz JEZLPHGCUXKIDD-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](NC(N)=O)C2)s1 ZINC000271501912 385834365 /nfs/dbraw/zinc/83/43/65/385834365.db2.gz JEZLPHGCUXKIDD-MRVPVSSYSA-N 1 2 240.332 0.694 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCCO1 ZINC000112202653 385836275 /nfs/dbraw/zinc/83/62/75/385836275.db2.gz RRKFXLNPVRRAED-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCCO1 ZINC000112202653 385836278 /nfs/dbraw/zinc/83/62/78/385836278.db2.gz RRKFXLNPVRRAED-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccon1 ZINC000336740852 385839096 /nfs/dbraw/zinc/83/90/96/385839096.db2.gz MOVWJZGISIOKKA-VIFPVBQESA-N 1 2 223.276 0.948 20 0 BCADLO Cc1n[nH]cc1C[NH2+]Cc1ccn(C)n1 ZINC000112355642 385842078 /nfs/dbraw/zinc/84/20/78/385842078.db2.gz OFAZUZZYADMOLF-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000305861832 385852760 /nfs/dbraw/zinc/85/27/60/385852760.db2.gz XMFBWKZOQIZADH-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000305861832 385852766 /nfs/dbraw/zinc/85/27/66/385852766.db2.gz XMFBWKZOQIZADH-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000294024748 385789685 /nfs/dbraw/zinc/78/96/85/385789685.db2.gz VCOIEIRKGBCLRG-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000294024748 385789687 /nfs/dbraw/zinc/78/96/87/385789687.db2.gz VCOIEIRKGBCLRG-SKDRFNHKSA-N 1 2 240.303 0.955 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)CO ZINC000294028202 385790092 /nfs/dbraw/zinc/79/00/92/385790092.db2.gz RFTDRASIZNODCV-MOVJSRMASA-N 1 2 223.276 0.652 20 0 BCADLO COCCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493641738 533147089 /nfs/dbraw/zinc/14/70/89/533147089.db2.gz KHHPWPKIALPWDO-NSCUHMNNSA-N 1 2 211.221 0.117 20 0 BCADLO Cn1ncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000647845342 385885691 /nfs/dbraw/zinc/88/56/91/385885691.db2.gz BLGBXAKYZUPQFR-UHFFFAOYSA-N 1 2 244.302 0.537 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)CCO)c[nH+]1 ZINC000272229962 385885800 /nfs/dbraw/zinc/88/58/00/385885800.db2.gz VKLXXUYLHRUWKJ-UHFFFAOYSA-N 1 2 211.265 0.609 20 0 BCADLO O=C1[C@H]2CCCN2C(=O)N1CCCn1cc[nH+]c1 ZINC000272222756 385886603 /nfs/dbraw/zinc/88/66/03/385886603.db2.gz KOSSUYSPIHXEDZ-SNVBAGLBSA-N 1 2 248.286 0.700 20 0 BCADLO Cn1cc(C[N@H+](C)CC2OCCO2)cn1 ZINC000272262995 385890226 /nfs/dbraw/zinc/89/02/26/385890226.db2.gz QXFGLVQOKLYLJT-UHFFFAOYSA-N 1 2 211.265 0.225 20 0 BCADLO Cn1cc(C[N@@H+](C)CC2OCCO2)cn1 ZINC000272262995 385890229 /nfs/dbraw/zinc/89/02/29/385890229.db2.gz QXFGLVQOKLYLJT-UHFFFAOYSA-N 1 2 211.265 0.225 20 0 BCADLO CCn1cc(CC[N@H+](CC)CC(=O)OC)cn1 ZINC000285016734 385893409 /nfs/dbraw/zinc/89/34/09/385893409.db2.gz MFRYSZJUHBFDID-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO CCn1cc(CC[N@@H+](CC)CC(=O)OC)cn1 ZINC000285016734 385893413 /nfs/dbraw/zinc/89/34/13/385893413.db2.gz MFRYSZJUHBFDID-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1nc(=O)[nH][nH]1 ZINC000272322817 385894274 /nfs/dbraw/zinc/89/42/74/385894274.db2.gz BEBVPOLTADMHFE-UHFFFAOYSA-N 1 2 233.275 0.168 20 0 BCADLO CCCCCNc1[nH+]cnc2c1OCCN2 ZINC000647844299 385894564 /nfs/dbraw/zinc/89/45/64/385894564.db2.gz YIQBBTPTNNLVTC-UHFFFAOYSA-N 1 2 222.292 0.996 20 0 BCADLO CCCCCNc1nc[nH+]c2c1OCCN2 ZINC000647844299 385894566 /nfs/dbraw/zinc/89/45/66/385894566.db2.gz YIQBBTPTNNLVTC-UHFFFAOYSA-N 1 2 222.292 0.996 20 0 BCADLO FC(F)Cn1cc(C[NH+]2CCOCC2)cn1 ZINC000294786010 385895970 /nfs/dbraw/zinc/89/59/70/385895970.db2.gz CAQRQGZDHZTPNW-UHFFFAOYSA-N 1 2 231.246 0.980 20 0 BCADLO O=C([C@H]1C[C@H]1C(F)F)N1CC[NH+](CCO)CC1 ZINC000338126187 385896816 /nfs/dbraw/zinc/89/68/16/385896816.db2.gz IOSACZJHCJEGDX-BDAKNGLRSA-N 1 2 248.273 0.024 20 0 BCADLO Cc1nocc1C[N@@H+](CC(N)=O)C(C)C ZINC000294823917 385900156 /nfs/dbraw/zinc/90/01/56/385900156.db2.gz GLUJCQNRHBLAIU-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO Cc1nocc1C[N@H+](CC(N)=O)C(C)C ZINC000294823917 385900158 /nfs/dbraw/zinc/90/01/58/385900158.db2.gz GLUJCQNRHBLAIU-UHFFFAOYSA-N 1 2 211.265 0.679 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307940010 385901053 /nfs/dbraw/zinc/90/10/53/385901053.db2.gz VRVUZTUCXCTNHI-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307940010 385901056 /nfs/dbraw/zinc/90/10/56/385901056.db2.gz VRVUZTUCXCTNHI-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](CO)C2)[nH]1 ZINC000408392142 385902049 /nfs/dbraw/zinc/90/20/49/385902049.db2.gz FCJFWQDEKXTZDF-VIFPVBQESA-N 1 2 238.335 0.916 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](CO)C2)[nH]1 ZINC000408392142 385902053 /nfs/dbraw/zinc/90/20/53/385902053.db2.gz FCJFWQDEKXTZDF-VIFPVBQESA-N 1 2 238.335 0.916 20 0 BCADLO Cc1nc(NC[C@@H](O)C(C)C)nc(N)[nH+]1 ZINC000308863524 385902169 /nfs/dbraw/zinc/90/21/69/385902169.db2.gz KKFVGUWUXGQIET-SSDOTTSWSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)C(C)C)[nH+]1 ZINC000308863524 385902173 /nfs/dbraw/zinc/90/21/73/385902173.db2.gz KKFVGUWUXGQIET-SSDOTTSWSA-N 1 2 211.269 0.191 20 0 BCADLO Cc1nc(NC[C@H](C)CCO)nc(N)[nH+]1 ZINC000308880236 385902198 /nfs/dbraw/zinc/90/21/98/385902198.db2.gz OOVWTKGMISCZDK-ZCFIWIBFSA-N 1 2 211.269 0.193 20 0 BCADLO Cc1nc(N)nc(NC[C@H](C)CCO)[nH+]1 ZINC000308880236 385902202 /nfs/dbraw/zinc/90/22/02/385902202.db2.gz OOVWTKGMISCZDK-ZCFIWIBFSA-N 1 2 211.269 0.193 20 0 BCADLO CC[C@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000308868977 385902665 /nfs/dbraw/zinc/90/26/65/385902665.db2.gz MCRWSJLDDOSOMM-SSDOTTSWSA-N 1 2 211.269 0.599 20 0 BCADLO CC[C@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000308868977 385902669 /nfs/dbraw/zinc/90/26/69/385902669.db2.gz MCRWSJLDDOSOMM-SSDOTTSWSA-N 1 2 211.269 0.599 20 0 BCADLO COC(=O)c1cnoc1C[N@H+](C)[C@H](C)CO ZINC000285179543 385904341 /nfs/dbraw/zinc/90/43/41/385904341.db2.gz DBNRWVJPXROJFO-SSDOTTSWSA-N 1 2 228.248 0.274 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+](C)[C@H](C)CO ZINC000285179543 385904343 /nfs/dbraw/zinc/90/43/43/385904343.db2.gz DBNRWVJPXROJFO-SSDOTTSWSA-N 1 2 228.248 0.274 20 0 BCADLO C[C@H](C(=O)N(C)C)N(C)Cc1[nH+]ccn1C ZINC000272574273 385914528 /nfs/dbraw/zinc/91/45/28/385914528.db2.gz NMEBXPBMHJLFJQ-SECBINFHSA-N 1 2 224.308 0.329 20 0 BCADLO CCCCNC(=O)CN(C)Cc1[nH+]ccn1C ZINC000272589832 385916151 /nfs/dbraw/zinc/91/61/51/385916151.db2.gz PHECULUDYHCQAE-UHFFFAOYSA-N 1 2 238.335 0.768 20 0 BCADLO Cc1sccc1C[N@@H+]1CCNC(=O)C1 ZINC000294918141 385917111 /nfs/dbraw/zinc/91/71/11/385917111.db2.gz NWCKAYLWJFWNGL-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO Cc1sccc1C[N@H+]1CCNC(=O)C1 ZINC000294918141 385917114 /nfs/dbraw/zinc/91/71/14/385917114.db2.gz NWCKAYLWJFWNGL-UHFFFAOYSA-N 1 2 210.302 0.988 20 0 BCADLO OCc1ccc(NCc2cnccn2)[nH+]c1 ZINC000390816385 385921962 /nfs/dbraw/zinc/92/19/62/385921962.db2.gz LOKKLPAXZVNPPB-UHFFFAOYSA-N 1 2 216.244 0.976 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)s1 ZINC000285400240 385922111 /nfs/dbraw/zinc/92/21/11/385922111.db2.gz CMFMIAUOPLETRC-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)s1 ZINC000285400240 385922118 /nfs/dbraw/zinc/92/21/18/385922118.db2.gz CMFMIAUOPLETRC-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO CC(C)(C(=O)N[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000338208669 385924773 /nfs/dbraw/zinc/92/47/73/385924773.db2.gz QZNGKRPUPCPNTP-JTQLQIEISA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000338249790 385926984 /nfs/dbraw/zinc/92/69/84/385926984.db2.gz HRMMIOWOPZAXDY-UHFFFAOYSA-N 1 2 212.297 0.457 20 0 BCADLO C[N@@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000338249790 385926990 /nfs/dbraw/zinc/92/69/90/385926990.db2.gz HRMMIOWOPZAXDY-UHFFFAOYSA-N 1 2 212.297 0.457 20 0 BCADLO C[C@@H](O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000271936456 385860301 /nfs/dbraw/zinc/86/03/01/385860301.db2.gz NIEOTUHIIBOMAA-ZJUUUORDSA-N 1 2 235.287 0.157 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CO ZINC000284343847 385864278 /nfs/dbraw/zinc/86/42/78/385864278.db2.gz JORRRAMSDJBKIO-FSIBCCDJSA-N 1 2 221.260 0.406 20 0 BCADLO OCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC000616640608 385864571 /nfs/dbraw/zinc/86/45/71/385864571.db2.gz JILPTWZOKWPJGQ-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO OCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC000616640608 385864574 /nfs/dbraw/zinc/86/45/74/385864574.db2.gz JILPTWZOKWPJGQ-NSHDSACASA-N 1 2 208.261 0.447 20 0 BCADLO C[C@@H](NC(=O)C1(O)CCCC1)c1[nH]cc[nH+]1 ZINC000647809131 385866397 /nfs/dbraw/zinc/86/63/97/385866397.db2.gz UKPDHRMTBIQIBJ-MRVPVSSYSA-N 1 2 223.276 0.892 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000272046965 385871507 /nfs/dbraw/zinc/87/15/07/385871507.db2.gz POWZIESYXKFPKH-LBPRGKRZSA-N 1 2 248.330 0.617 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)n1 ZINC000272046965 385871512 /nfs/dbraw/zinc/87/15/12/385871512.db2.gz POWZIESYXKFPKH-LBPRGKRZSA-N 1 2 248.330 0.617 20 0 BCADLO CC(C)(CNc1nc[nH+]c(N)c1Cl)C(N)=O ZINC000232520863 385873153 /nfs/dbraw/zinc/87/31/53/385873153.db2.gz BNGXWNRSVBOXJR-UHFFFAOYSA-N 1 2 243.698 0.636 20 0 BCADLO CC(C)(CNc1[nH+]cnc(N)c1Cl)C(N)=O ZINC000232520863 385873158 /nfs/dbraw/zinc/87/31/58/385873158.db2.gz BNGXWNRSVBOXJR-UHFFFAOYSA-N 1 2 243.698 0.636 20 0 BCADLO C[C@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284551345 385875009 /nfs/dbraw/zinc/87/50/09/385875009.db2.gz XSLSSEMTBRFJPC-VUDBWIFFSA-N 1 2 221.260 0.406 20 0 BCADLO C[C@H](CO)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284554391 385875023 /nfs/dbraw/zinc/87/50/23/385875023.db2.gz XWEYEVBJCHVGHP-YEZKRMTDSA-N 1 2 237.303 0.948 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647920662 385880890 /nfs/dbraw/zinc/88/08/90/385880890.db2.gz KTIXQCGCJBERQK-VROVMSAKSA-N 1 2 243.270 0.362 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)[C@@H](C)O)c[nH+]1 ZINC000272739838 385928369 /nfs/dbraw/zinc/92/83/69/385928369.db2.gz CBNPWYCZYMXEBQ-ZCFIWIBFSA-N 1 2 211.265 0.607 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc(N(C)C)n[nH]1 ZINC000285883716 385976275 /nfs/dbraw/zinc/97/62/75/385976275.db2.gz CKTDFMPCWXKVQW-UHFFFAOYSA-N 1 2 249.278 0.083 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000338354500 385976502 /nfs/dbraw/zinc/97/65/02/385976502.db2.gz GJOWDFJQOQODFH-UTLUCORTSA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000338354500 385976507 /nfs/dbraw/zinc/97/65/07/385976507.db2.gz GJOWDFJQOQODFH-UTLUCORTSA-N 1 2 233.283 0.997 20 0 BCADLO CC[N@H+](CCO)Cc1oncc1C(=O)OC ZINC000285960037 385981705 /nfs/dbraw/zinc/98/17/05/385981705.db2.gz KNMXTXRVWCYJDX-UHFFFAOYSA-N 1 2 228.248 0.275 20 0 BCADLO CC[N@@H+](CCO)Cc1oncc1C(=O)OC ZINC000285960037 385981712 /nfs/dbraw/zinc/98/17/12/385981712.db2.gz KNMXTXRVWCYJDX-UHFFFAOYSA-N 1 2 228.248 0.275 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nnc(C)n2C)CC[C@H]1C ZINC000189367221 385990227 /nfs/dbraw/zinc/99/02/27/385990227.db2.gz YXZMICKYVTUTGI-MWLCHTKSSA-N 1 2 238.335 0.980 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)n2C)CC[C@H]1C ZINC000189367221 385990230 /nfs/dbraw/zinc/99/02/30/385990230.db2.gz YXZMICKYVTUTGI-MWLCHTKSSA-N 1 2 238.335 0.980 20 0 BCADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000286057022 385990903 /nfs/dbraw/zinc/99/09/03/385990903.db2.gz RIIXIRZLEZYSIR-SFYZADRCSA-N 1 2 237.259 0.225 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1cncs1 ZINC000354190241 385990960 /nfs/dbraw/zinc/99/09/60/385990960.db2.gz QTSJZBMFRVDPDU-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1cncs1 ZINC000354190241 385990964 /nfs/dbraw/zinc/99/09/64/385990964.db2.gz QTSJZBMFRVDPDU-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nnnn1C ZINC000345084893 385992360 /nfs/dbraw/zinc/99/23/60/385992360.db2.gz LBUFBTJOTIPWHR-SFYZADRCSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nnnn1C ZINC000345084893 385992366 /nfs/dbraw/zinc/99/23/66/385992366.db2.gz LBUFBTJOTIPWHR-SFYZADRCSA-N 1 2 227.337 0.536 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)s1 ZINC000338269694 385934522 /nfs/dbraw/zinc/93/45/22/385934522.db2.gz COCQEWITTUMVTN-HTRCEHHLSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](O)C2)s1 ZINC000338269694 385934530 /nfs/dbraw/zinc/93/45/30/385934530.db2.gz COCQEWITTUMVTN-HTRCEHHLSA-N 1 2 213.306 0.974 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](O)C1 ZINC000285547073 385939351 /nfs/dbraw/zinc/93/93/51/385939351.db2.gz ICIBVRBLYHUZPR-SSDOTTSWSA-N 1 2 226.232 0.028 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](O)C1 ZINC000285547073 385939360 /nfs/dbraw/zinc/93/93/60/385939360.db2.gz ICIBVRBLYHUZPR-SSDOTTSWSA-N 1 2 226.232 0.028 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338290800 385944190 /nfs/dbraw/zinc/94/41/90/385944190.db2.gz RLRIQHAOOUXIKW-WDEREUQCSA-N 1 2 227.304 0.437 20 0 BCADLO CC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338290800 385944195 /nfs/dbraw/zinc/94/41/95/385944195.db2.gz RLRIQHAOOUXIKW-WDEREUQCSA-N 1 2 227.304 0.437 20 0 BCADLO CCOCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338292523 385946031 /nfs/dbraw/zinc/94/60/31/385946031.db2.gz BXMIJUQOMPWLMQ-NSHDSACASA-N 1 2 227.304 0.703 20 0 BCADLO CCOCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338292523 385946036 /nfs/dbraw/zinc/94/60/36/385946036.db2.gz BXMIJUQOMPWLMQ-NSHDSACASA-N 1 2 227.304 0.703 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335055206 385953255 /nfs/dbraw/zinc/95/32/55/385953255.db2.gz GRXHLDLQPIVHGF-JTQLQIEISA-N 1 2 236.319 0.865 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000338293505 385955718 /nfs/dbraw/zinc/95/57/18/385955718.db2.gz HZKHYJYSRMHWRZ-LBPRGKRZSA-N 1 2 249.314 0.600 20 0 BCADLO OC[C@@]1(F)CC[N@H+](Cc2ccncc2)C1 ZINC000335057848 385959081 /nfs/dbraw/zinc/95/90/81/385959081.db2.gz NZURGBGMLFLLKQ-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](Cc2ccncc2)C1 ZINC000335057848 385959085 /nfs/dbraw/zinc/95/90/85/385959085.db2.gz NZURGBGMLFLLKQ-LLVKDONJSA-N 1 2 210.252 0.988 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)C[S@](C)=O)c[nH+]1 ZINC000273115570 385969480 /nfs/dbraw/zinc/96/94/80/385969480.db2.gz FFJGPPFBMUKILY-XHLQUELWSA-N 1 2 229.305 0.215 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000189291027 385972935 /nfs/dbraw/zinc/97/29/35/385972935.db2.gz KQHFLGNRRWOTQP-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000189291027 385972940 /nfs/dbraw/zinc/97/29/40/385972940.db2.gz KQHFLGNRRWOTQP-UWVGGRQHSA-N 1 2 239.323 0.457 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000335016535 385973258 /nfs/dbraw/zinc/97/32/58/385973258.db2.gz BIUPQGWAEVTHAC-BDAKNGLRSA-N 1 2 236.319 0.883 20 0 BCADLO Cc1ncc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH]1 ZINC000335016535 385973263 /nfs/dbraw/zinc/97/32/63/385973263.db2.gz BIUPQGWAEVTHAC-BDAKNGLRSA-N 1 2 236.319 0.883 20 0 BCADLO O=C1C[N@H+](CCc2c[nH]nn2)[C@@H]2CCCC[C@@H]2N1 ZINC000647966694 385974309 /nfs/dbraw/zinc/97/43/09/385974309.db2.gz FAPKGSCGNMSOIP-WDEREUQCSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2c[nH]nn2)[C@@H]2CCCC[C@@H]2N1 ZINC000647966694 385974314 /nfs/dbraw/zinc/97/43/14/385974314.db2.gz FAPKGSCGNMSOIP-WDEREUQCSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@H+](CCc2cn[nH]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000647966694 385974319 /nfs/dbraw/zinc/97/43/19/385974319.db2.gz FAPKGSCGNMSOIP-WDEREUQCSA-N 1 2 249.318 0.090 20 0 BCADLO O=C1C[N@@H+](CCc2cn[nH]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000647966694 385974324 /nfs/dbraw/zinc/97/43/24/385974324.db2.gz FAPKGSCGNMSOIP-WDEREUQCSA-N 1 2 249.318 0.090 20 0 BCADLO O=C(C1CC1)N1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000643255490 385999071 /nfs/dbraw/zinc/99/90/71/385999071.db2.gz WWLFTQFQVCDZQM-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO O=C(C1CC1)N1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000643255490 385999077 /nfs/dbraw/zinc/99/90/77/385999077.db2.gz WWLFTQFQVCDZQM-LLVKDONJSA-N 1 2 224.304 0.677 20 0 BCADLO Cc1sccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000295254552 385999792 /nfs/dbraw/zinc/99/97/92/385999792.db2.gz GHHYUQHKZHBYDO-SNVBAGLBSA-N 1 2 240.328 0.743 20 0 BCADLO Cc1sccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000295254552 385999801 /nfs/dbraw/zinc/99/98/01/385999801.db2.gz GHHYUQHKZHBYDO-SNVBAGLBSA-N 1 2 240.328 0.743 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCC[S@](C)=O ZINC000124220588 386001812 /nfs/dbraw/zinc/00/18/12/386001812.db2.gz DGCOSZFXJATNKJ-CQSZACIVSA-N 1 2 215.322 0.576 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000345063741 386001933 /nfs/dbraw/zinc/00/19/33/386001933.db2.gz ZLQXRHHIFZDMDH-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO CC(C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335066078 386004005 /nfs/dbraw/zinc/00/40/05/386004005.db2.gz ALTHKDYXUPVJAN-UHFFFAOYSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncccn1 ZINC000286195990 386005838 /nfs/dbraw/zinc/00/58/38/386005838.db2.gz BJWIPYCZQFGDJM-NEPJUHHUSA-N 1 2 248.330 0.776 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CN1C ZINC000335067225 386008806 /nfs/dbraw/zinc/00/88/06/386008806.db2.gz QXBYPTLTUWVAFB-MNOVXSKESA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CN1C ZINC000335067225 386008809 /nfs/dbraw/zinc/00/88/09/386008809.db2.gz QXBYPTLTUWVAFB-MNOVXSKESA-N 1 2 239.363 0.632 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000286245188 386011015 /nfs/dbraw/zinc/01/10/15/386011015.db2.gz DFIPOKZRNQLRLC-QMMMGPOBSA-N 1 2 225.292 0.754 20 0 BCADLO COC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)C1CC1 ZINC000336752432 386016736 /nfs/dbraw/zinc/01/67/36/386016736.db2.gz DINRBDQWSCUKTM-QWRGUYRKSA-N 1 2 227.304 0.953 20 0 BCADLO Cc1nc(N(C)[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000338485784 386019485 /nfs/dbraw/zinc/01/94/85/386019485.db2.gz WHVUQXVBDAYTSH-ZETCQYMHSA-N 1 2 225.296 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)CO)[nH+]1 ZINC000338485784 386019490 /nfs/dbraw/zinc/01/94/90/386019490.db2.gz WHVUQXVBDAYTSH-ZETCQYMHSA-N 1 2 225.296 0.063 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226321 386021592 /nfs/dbraw/zinc/02/15/92/386021592.db2.gz PKMIYLSGEJDDRZ-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226321 386021597 /nfs/dbraw/zinc/02/15/97/386021597.db2.gz PKMIYLSGEJDDRZ-NXEZZACHSA-N 1 2 241.335 0.064 20 0 BCADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](O)C(F)F ZINC000295409768 386025440 /nfs/dbraw/zinc/02/54/40/386025440.db2.gz HUQUPOKVXCRPOW-POYBYMJQSA-N 1 2 247.245 0.853 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000334428509 386036595 /nfs/dbraw/zinc/03/65/95/386036595.db2.gz SNNIXNRTPBKWJF-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425421637 386041389 /nfs/dbraw/zinc/04/13/89/386041389.db2.gz OAXYOIBCXSBOMV-NTSWFWBYSA-N 1 2 233.218 0.820 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425421637 386041394 /nfs/dbraw/zinc/04/13/94/386041394.db2.gz OAXYOIBCXSBOMV-NTSWFWBYSA-N 1 2 233.218 0.820 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000295232509 385996171 /nfs/dbraw/zinc/99/61/71/385996171.db2.gz DBFAMPWBVVBFLD-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000295232509 385996175 /nfs/dbraw/zinc/99/61/75/385996175.db2.gz DBFAMPWBVVBFLD-SNVBAGLBSA-N 1 2 223.276 0.646 20 0 BCADLO C[C@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)CO1 ZINC000645390994 386102545 /nfs/dbraw/zinc/10/25/45/386102545.db2.gz ZMXJVWBNQWIBHF-YUMQZZPRSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)CO1 ZINC000645390994 386102551 /nfs/dbraw/zinc/10/25/51/386102551.db2.gz ZMXJVWBNQWIBHF-YUMQZZPRSA-N 1 2 236.275 0.870 20 0 BCADLO O=C(Cc1cncs1)NCCn1cc[nH+]c1 ZINC000437612497 386114958 /nfs/dbraw/zinc/11/49/58/386114958.db2.gz JPFYJJWDRMWCSC-UHFFFAOYSA-N 1 2 236.300 0.699 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000274539716 386118678 /nfs/dbraw/zinc/11/86/78/386118678.db2.gz DRKGLDCFWGUIFM-KXMPLOMGSA-N 1 2 237.303 0.717 20 0 BCADLO CCCn1ncnc1C[N@H+](C)[C@H](C)CO ZINC000124665919 386119546 /nfs/dbraw/zinc/11/95/46/386119546.db2.gz VKVSGSOGEYLKOS-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)[C@H](C)CO ZINC000124665919 386119548 /nfs/dbraw/zinc/11/95/48/386119548.db2.gz VKVSGSOGEYLKOS-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CS(=O)(=O)CCCNc1cccc[nH+]1 ZINC000038048449 386121005 /nfs/dbraw/zinc/12/10/05/386121005.db2.gz ZCAFRVAVYJGKOH-UHFFFAOYSA-N 1 2 214.290 0.928 20 0 BCADLO COC(=O)[C@H](CF)NCc1[nH+]ccn1C ZINC000336772176 386065260 /nfs/dbraw/zinc/06/52/60/386065260.db2.gz XQGGRPWMDAGGOA-ZETCQYMHSA-N 1 2 215.228 0.021 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590675 386067069 /nfs/dbraw/zinc/06/70/69/386067069.db2.gz SJKBETWKSXPTST-KOLCDFICSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590675 386067074 /nfs/dbraw/zinc/06/70/74/386067074.db2.gz SJKBETWKSXPTST-KOLCDFICSA-N 1 2 232.299 0.307 20 0 BCADLO C[C@@](O)(C[N@@H+]1CC[C@](F)(CO)C1)C(F)(F)F ZINC000338593310 386067504 /nfs/dbraw/zinc/06/75/04/386067504.db2.gz JCZHGOMWRRYZQV-HTQZYQBOSA-N 1 2 245.216 0.706 20 0 BCADLO C[C@@](O)(C[N@H+]1CC[C@](F)(CO)C1)C(F)(F)F ZINC000338593310 386067509 /nfs/dbraw/zinc/06/75/09/386067509.db2.gz JCZHGOMWRRYZQV-HTQZYQBOSA-N 1 2 245.216 0.706 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccn1 ZINC000338595232 386068730 /nfs/dbraw/zinc/06/87/30/386068730.db2.gz SMRRCYWOVMCAKT-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO COc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccn1 ZINC000338595232 386068736 /nfs/dbraw/zinc/06/87/36/386068736.db2.gz SMRRCYWOVMCAKT-GFCCVEGCSA-N 1 2 240.278 0.997 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593659 386070543 /nfs/dbraw/zinc/07/05/43/386070543.db2.gz TVLGUSHULHEHKF-BXKDBHETSA-N 1 2 246.326 0.696 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593659 386070548 /nfs/dbraw/zinc/07/05/48/386070548.db2.gz TVLGUSHULHEHKF-BXKDBHETSA-N 1 2 246.326 0.696 20 0 BCADLO COC(=O)C(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493491463 533158442 /nfs/dbraw/zinc/15/84/42/533158442.db2.gz RLILCVXPJKYSHR-SNAWJCMRSA-N 1 2 237.259 0.491 20 0 BCADLO CCc1ocnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000345225223 386073564 /nfs/dbraw/zinc/07/35/64/386073564.db2.gz VHEBSDGBAURGFN-UHFFFAOYSA-N 1 2 234.259 0.933 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338637982 386080539 /nfs/dbraw/zinc/08/05/39/386080539.db2.gz QWSFASKHEPJRRZ-BDAKNGLRSA-N 1 2 240.303 0.339 20 0 BCADLO Cc1noc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000162329285 386081349 /nfs/dbraw/zinc/08/13/49/386081349.db2.gz GEORMPWQRFOIKO-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627219 386082545 /nfs/dbraw/zinc/08/25/45/386082545.db2.gz QHBSOYVUAJYIGA-GZMMTYOYSA-N 1 2 230.283 0.060 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627219 386082549 /nfs/dbraw/zinc/08/25/49/386082549.db2.gz QHBSOYVUAJYIGA-GZMMTYOYSA-N 1 2 230.283 0.060 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338625180 386083185 /nfs/dbraw/zinc/08/31/85/386083185.db2.gz HYBOIUNKFFWZLX-GFCCVEGCSA-N 1 2 246.326 0.699 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338625180 386083190 /nfs/dbraw/zinc/08/31/90/386083190.db2.gz HYBOIUNKFFWZLX-GFCCVEGCSA-N 1 2 246.326 0.699 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@](F)(CO)C1 ZINC000338627501 386083277 /nfs/dbraw/zinc/08/32/77/386083277.db2.gz SEHBAOJYQOSAQV-SNVBAGLBSA-N 1 2 213.256 0.326 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000189798678 386089029 /nfs/dbraw/zinc/08/90/29/386089029.db2.gz CHHAEPRFDCPORR-WCBMZHEXSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000189798678 386089035 /nfs/dbraw/zinc/08/90/35/386089035.db2.gz CHHAEPRFDCPORR-WCBMZHEXSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075777370 386092256 /nfs/dbraw/zinc/09/22/56/386092256.db2.gz VWQCEILMMOJOAO-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000075777370 386092261 /nfs/dbraw/zinc/09/22/61/386092261.db2.gz VWQCEILMMOJOAO-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1CC ZINC000295870219 386098959 /nfs/dbraw/zinc/09/89/59/386098959.db2.gz XROHYBJNZAWGGR-VHSXEESVSA-N 1 2 237.303 0.944 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)OC[C@@H]1CCCO1 ZINC000287813204 386147888 /nfs/dbraw/zinc/14/78/88/386147888.db2.gz MKSRZPDMBJJXEI-VIFPVBQESA-N 1 2 239.275 0.825 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)CCCCC(N)=O ZINC000338818003 386151451 /nfs/dbraw/zinc/15/14/51/386151451.db2.gz XCBGEICVKNGGMX-UHFFFAOYSA-N 1 2 235.287 0.796 20 0 BCADLO CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343176956 386154796 /nfs/dbraw/zinc/15/47/96/386154796.db2.gz HBPWHTFISXNQSQ-VIFPVBQESA-N 1 2 207.277 0.924 20 0 BCADLO NS(=O)(=O)CCCCNc1cccc[nH+]1 ZINC000292657305 386163312 /nfs/dbraw/zinc/16/33/12/386163312.db2.gz CEOAERDLVJNACW-UHFFFAOYSA-N 1 2 229.305 0.562 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631237662 386167670 /nfs/dbraw/zinc/16/76/70/386167670.db2.gz AKRKYHWRKOYUKY-IWSPIJDZSA-N 1 2 223.276 0.839 20 0 BCADLO CCOC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC000069280175 386168158 /nfs/dbraw/zinc/16/81/58/386168158.db2.gz JFULYJRDVPEXFV-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC000069280175 386168160 /nfs/dbraw/zinc/16/81/60/386168160.db2.gz JFULYJRDVPEXFV-NSHDSACASA-N 1 2 245.319 0.411 20 0 BCADLO CC[S@](=O)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000346145639 386169218 /nfs/dbraw/zinc/16/92/18/386169218.db2.gz IDBJDNUXHFUWLU-INIZCTEOSA-N 1 2 246.376 0.308 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@](C)(O)C1 ZINC000408349625 386173228 /nfs/dbraw/zinc/17/32/28/386173228.db2.gz LATHJBMVRVLQBT-KWQFWETISA-N 1 2 237.307 0.526 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@](C)(O)C1 ZINC000408349625 386173232 /nfs/dbraw/zinc/17/32/32/386173232.db2.gz LATHJBMVRVLQBT-KWQFWETISA-N 1 2 237.307 0.526 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000263784954 386173955 /nfs/dbraw/zinc/17/39/55/386173955.db2.gz HLPPGZHCGYVRFB-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(\C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000263784954 386173960 /nfs/dbraw/zinc/17/39/60/386173960.db2.gz HLPPGZHCGYVRFB-IGLBNKAOSA-N 1 2 226.320 0.790 20 0 BCADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)C(=O)N(C)C ZINC000235560927 386174058 /nfs/dbraw/zinc/17/40/58/386174058.db2.gz RJPRAHVSAQIPRL-YFKPBYRVSA-N 1 2 243.698 0.601 20 0 BCADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)C(=O)N(C)C ZINC000235560927 386174070 /nfs/dbraw/zinc/17/40/70/386174070.db2.gz RJPRAHVSAQIPRL-YFKPBYRVSA-N 1 2 243.698 0.601 20 0 BCADLO COC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(=O)OC ZINC000336753987 386175144 /nfs/dbraw/zinc/17/51/44/386175144.db2.gz HESDSMRLPCHLCB-RGOKHQFPSA-N 1 2 215.293 0.809 20 0 BCADLO CC[C@@H](C(=O)Nc1nn[nH]n1)[NH+](CC)CC ZINC000346228785 386176131 /nfs/dbraw/zinc/17/61/31/386176131.db2.gz WCRFWWYUDKKCAO-ZETCQYMHSA-N 1 2 226.284 0.259 20 0 BCADLO CC(C)(O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275062283 386176547 /nfs/dbraw/zinc/17/65/47/386176547.db2.gz ZBGYOBDSEFENKZ-UHFFFAOYSA-N 1 2 237.303 0.887 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccno1 ZINC000275096682 386181143 /nfs/dbraw/zinc/18/11/43/386181143.db2.gz JGOYRKXQHCMUAZ-NSHDSACASA-N 1 2 222.244 0.956 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccno1 ZINC000275096682 386181147 /nfs/dbraw/zinc/18/11/47/386181147.db2.gz JGOYRKXQHCMUAZ-NSHDSACASA-N 1 2 222.244 0.956 20 0 BCADLO Cc1nnc(Cn2cc(C[NH2+]C3CC3)nn2)[nH]1 ZINC000310468803 386186856 /nfs/dbraw/zinc/18/68/56/386186856.db2.gz AQRPCCTXBDCRFR-UHFFFAOYSA-N 1 2 233.279 0.005 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H](C)CO ZINC000287499735 386128445 /nfs/dbraw/zinc/12/84/45/386128445.db2.gz JDAPTDHQQPGNMZ-NXEZZACHSA-N 1 2 240.307 0.294 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC(=O)N(C)C)CCN1C ZINC000335131668 386131678 /nfs/dbraw/zinc/13/16/78/386131678.db2.gz KJXBBFWCNZLSCA-ZJUUUORDSA-N 1 2 213.325 0.099 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)N(C)C)CCN1C ZINC000335131668 386131686 /nfs/dbraw/zinc/13/16/86/386131686.db2.gz KJXBBFWCNZLSCA-ZJUUUORDSA-N 1 2 213.325 0.099 20 0 BCADLO CO[C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338766932 386134409 /nfs/dbraw/zinc/13/44/09/386134409.db2.gz LEFGMMSSUCFGCQ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cnns1 ZINC000287664731 386139250 /nfs/dbraw/zinc/13/92/50/386139250.db2.gz BHDWTBQYPSHXCR-UHFFFAOYSA-N 1 2 223.261 0.833 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000287682168 386140066 /nfs/dbraw/zinc/14/00/66/386140066.db2.gz IFQBJFICWHXZQC-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000287682168 386140069 /nfs/dbraw/zinc/14/00/69/386140069.db2.gz IFQBJFICWHXZQC-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCOCC1CC1 ZINC000287708024 386143579 /nfs/dbraw/zinc/14/35/79/386143579.db2.gz UEBDLMGPWPKGLE-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1nccnc1OC ZINC000296140524 386143721 /nfs/dbraw/zinc/14/37/21/386143721.db2.gz VERFBVQGLNVTOF-VIFPVBQESA-N 1 2 223.276 0.706 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1nccnc1OC ZINC000296140524 386143724 /nfs/dbraw/zinc/14/37/24/386143724.db2.gz VERFBVQGLNVTOF-VIFPVBQESA-N 1 2 223.276 0.706 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H]2COC[C@H]2O)no1 ZINC000340281771 386200579 /nfs/dbraw/zinc/20/05/79/386200579.db2.gz IFWFDKPFVJIKOZ-VHSXEESVSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H]2COC[C@H]2O)no1 ZINC000340281771 386200584 /nfs/dbraw/zinc/20/05/84/386200584.db2.gz IFWFDKPFVJIKOZ-VHSXEESVSA-N 1 2 212.249 0.175 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340281703 386202307 /nfs/dbraw/zinc/20/23/07/386202307.db2.gz XAPCQZYQWBNYOH-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340281703 386202312 /nfs/dbraw/zinc/20/23/12/386202312.db2.gz XAPCQZYQWBNYOH-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO C[C@@H](O)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340281703 386202316 /nfs/dbraw/zinc/20/23/16/386202316.db2.gz XAPCQZYQWBNYOH-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000408356303 386202411 /nfs/dbraw/zinc/20/24/11/386202411.db2.gz DTXDZRNVAUTOSG-SNVBAGLBSA-N 1 2 246.261 0.500 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000408356303 386202417 /nfs/dbraw/zinc/20/24/17/386202417.db2.gz DTXDZRNVAUTOSG-SNVBAGLBSA-N 1 2 246.261 0.500 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOC1CCC1 ZINC000347060543 386210337 /nfs/dbraw/zinc/21/03/37/386210337.db2.gz SISBGDUROPGIII-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOC1CCC1 ZINC000347060543 386210342 /nfs/dbraw/zinc/21/03/42/386210342.db2.gz SISBGDUROPGIII-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)c1nc(N2CCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000408357910 386210961 /nfs/dbraw/zinc/21/09/61/386210961.db2.gz CVEWBMDRDGWFTN-VIFPVBQESA-N 1 2 234.303 0.925 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000131310405 386214568 /nfs/dbraw/zinc/21/45/68/386214568.db2.gz SFDTZWDGDWQTRG-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000131310405 386214576 /nfs/dbraw/zinc/21/45/76/386214576.db2.gz SFDTZWDGDWQTRG-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO COCC[N@H+](Cc1ccoc1C)[C@@H](C)C(N)=O ZINC000414381038 386216924 /nfs/dbraw/zinc/21/69/24/386216924.db2.gz HOLUNMQAKPMXPJ-VIFPVBQESA-N 1 2 240.303 0.910 20 0 BCADLO COCC[N@@H+](Cc1ccoc1C)[C@@H](C)C(N)=O ZINC000414381038 386216930 /nfs/dbraw/zinc/21/69/30/386216930.db2.gz HOLUNMQAKPMXPJ-VIFPVBQESA-N 1 2 240.303 0.910 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347024417 386217152 /nfs/dbraw/zinc/21/71/52/386217152.db2.gz RAZYDTRIBLLRAB-DTWKUNHWSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347024417 386217156 /nfs/dbraw/zinc/21/71/56/386217156.db2.gz RAZYDTRIBLLRAB-DTWKUNHWSA-N 1 2 239.323 0.364 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C1(CO)CC1 ZINC000617904582 386219461 /nfs/dbraw/zinc/21/94/61/386219461.db2.gz MCUJXVZQCLXOSW-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1(CO)CC1 ZINC000617904581 386220208 /nfs/dbraw/zinc/22/02/08/386220208.db2.gz MCUJXVZQCLXOSW-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCC1CC1 ZINC000264257937 386221603 /nfs/dbraw/zinc/22/16/03/386221603.db2.gz ZZWGVLKDXJXPST-UHFFFAOYSA-N 1 2 208.265 0.629 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1n[nH]c2c1CCC2 ZINC000264268496 386223373 /nfs/dbraw/zinc/22/33/73/386223373.db2.gz FPFZHQDRBZCDCQ-UHFFFAOYSA-N 1 2 245.286 0.562 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297103431 386225483 /nfs/dbraw/zinc/22/54/83/386225483.db2.gz NOWWMYRUQBMMRE-UHFFFAOYSA-N 1 2 249.314 0.958 20 0 BCADLO CC[C@@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000275659953 386226421 /nfs/dbraw/zinc/22/64/21/386226421.db2.gz YKCJMNMLKVXQHJ-QMMMGPOBSA-N 1 2 248.290 0.427 20 0 BCADLO Cc1ccn(C)c1C(=O)NCc1[nH+]ccn1C ZINC000275767648 386239539 /nfs/dbraw/zinc/23/95/39/386239539.db2.gz AHWJKBMBXQPLRY-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CO[C@@H]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000408361884 386243831 /nfs/dbraw/zinc/24/38/31/386243831.db2.gz KFLSHPBVMRBANA-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO CO[C@@H]1CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000408361884 386243835 /nfs/dbraw/zinc/24/38/35/386243835.db2.gz KFLSHPBVMRBANA-SECBINFHSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000264553436 386246520 /nfs/dbraw/zinc/24/65/20/386246520.db2.gz KDAHHJHKXMVDEX-NSHDSACASA-N 1 2 236.319 0.320 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCNC(=O)[C@@H]2C)n1 ZINC000264553436 386246527 /nfs/dbraw/zinc/24/65/27/386246527.db2.gz KDAHHJHKXMVDEX-NSHDSACASA-N 1 2 236.319 0.320 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)O ZINC000264557701 386248121 /nfs/dbraw/zinc/24/81/21/386248121.db2.gz QTDBUEBDHCCDNO-SECBINFHSA-N 1 2 240.307 0.342 20 0 BCADLO CCc1ccc(C[N@H+](CC)CC(N)=O)nc1 ZINC000339121432 386249953 /nfs/dbraw/zinc/24/99/53/386249953.db2.gz WWZIBMJEHRVWIN-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO CCc1ccc(C[N@@H+](CC)CC(N)=O)nc1 ZINC000339121432 386249957 /nfs/dbraw/zinc/24/99/57/386249957.db2.gz WWZIBMJEHRVWIN-UHFFFAOYSA-N 1 2 221.304 0.951 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCCCC1 ZINC000647932708 386250098 /nfs/dbraw/zinc/25/00/98/386250098.db2.gz NBPJVKFRQPEGSX-UHFFFAOYSA-N 1 2 248.330 0.780 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000347102364 386250367 /nfs/dbraw/zinc/25/03/67/386250367.db2.gz KJTUBFKAAMIGLE-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000347102364 386250370 /nfs/dbraw/zinc/25/03/70/386250370.db2.gz KJTUBFKAAMIGLE-ZYHUDNBSSA-N 1 2 249.314 0.465 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336646861 386253581 /nfs/dbraw/zinc/25/35/81/386253581.db2.gz LFCRFTIWXSCHCP-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336646861 386253582 /nfs/dbraw/zinc/25/35/82/386253582.db2.gz LFCRFTIWXSCHCP-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CO[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000275982957 386257639 /nfs/dbraw/zinc/25/76/39/386257639.db2.gz CYCITLWRERYVAD-VIFPVBQESA-N 1 2 236.319 0.911 20 0 BCADLO CO[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000275982957 386257643 /nfs/dbraw/zinc/25/76/43/386257643.db2.gz CYCITLWRERYVAD-VIFPVBQESA-N 1 2 236.319 0.911 20 0 BCADLO c1nn[nH]c1CN1CC[NH+](C2CCCC2)CC1 ZINC000340278893 386192520 /nfs/dbraw/zinc/19/25/20/386192520.db2.gz MSZVWCXOJJHRJL-UHFFFAOYSA-N 1 2 235.335 0.865 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000346340266 386194099 /nfs/dbraw/zinc/19/40/99/386194099.db2.gz PYJFQFNGSPWLCX-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000346340266 386194103 /nfs/dbraw/zinc/19/41/03/386194103.db2.gz PYJFQFNGSPWLCX-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCCCC1)[C@H](C)O ZINC000191023984 386199426 /nfs/dbraw/zinc/19/94/26/386199426.db2.gz PNNHKXGHZBTMMC-WPRPVWTQSA-N 1 2 215.293 0.831 20 0 BCADLO Fc1cncc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000347202587 386281381 /nfs/dbraw/zinc/28/13/81/386281381.db2.gz FZWXLLPVNCUXOW-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO Fc1cncc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000347202587 386281386 /nfs/dbraw/zinc/28/13/86/386281386.db2.gz FZWXLLPVNCUXOW-UHFFFAOYSA-N 1 2 233.250 0.897 20 0 BCADLO COc1nn(C)cc1NCc1[nH]cc[nH+]1 ZINC000336730639 386281665 /nfs/dbraw/zinc/28/16/65/386281665.db2.gz KHTHVHKHTYZLSU-UHFFFAOYSA-N 1 2 207.237 0.764 20 0 BCADLO COC(C)(C)CNC(=O)CCc1c[nH+]cn1C ZINC000339167874 386282895 /nfs/dbraw/zinc/28/28/95/386282895.db2.gz YOMRNYASMYZFCV-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CO[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000339165053 386283041 /nfs/dbraw/zinc/28/30/41/386283041.db2.gz POKWGHQPGZMJBG-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](C)OC)C1 ZINC000425506072 386284058 /nfs/dbraw/zinc/28/40/58/386284058.db2.gz CQUWZQHWWUEDIY-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000425506072 386284065 /nfs/dbraw/zinc/28/40/65/386284065.db2.gz CQUWZQHWWUEDIY-SECBINFHSA-N 1 2 200.282 0.533 20 0 BCADLO C[C@@H](C[N@@H+]1CCOC(C)(C)C1)CS(C)(=O)=O ZINC000336664140 386285694 /nfs/dbraw/zinc/28/56/94/386285694.db2.gz DUUBLZMRYVXTIU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO C[C@@H](C[N@H+]1CCOC(C)(C)C1)CS(C)(=O)=O ZINC000336664140 386285696 /nfs/dbraw/zinc/28/56/96/386285696.db2.gz DUUBLZMRYVXTIU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCCOC2)c[nH+]1 ZINC000264938373 386286258 /nfs/dbraw/zinc/28/62/58/386286258.db2.gz PXQABTMTICFQSS-QMMMGPOBSA-N 1 2 209.249 0.627 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCOC2)c[nH+]1 ZINC000264938372 386286484 /nfs/dbraw/zinc/28/64/84/386286484.db2.gz PXQABTMTICFQSS-MRVPVSSYSA-N 1 2 209.249 0.627 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000264969441 386288104 /nfs/dbraw/zinc/28/81/04/386288104.db2.gz IBCFZCCUTCBMKA-NSHDSACASA-N 1 2 228.292 0.812 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000264969441 386288106 /nfs/dbraw/zinc/28/81/06/386288106.db2.gz IBCFZCCUTCBMKA-NSHDSACASA-N 1 2 228.292 0.812 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000264969439 386290061 /nfs/dbraw/zinc/29/00/61/386290061.db2.gz IBCFZCCUTCBMKA-LLVKDONJSA-N 1 2 228.292 0.812 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000264969439 386290065 /nfs/dbraw/zinc/29/00/65/386290065.db2.gz IBCFZCCUTCBMKA-LLVKDONJSA-N 1 2 228.292 0.812 20 0 BCADLO C[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198368 386290554 /nfs/dbraw/zinc/29/05/54/386290554.db2.gz ILVPAPHFEVNQMO-JGVFFNPUSA-N 1 2 226.280 0.071 20 0 BCADLO C[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198368 386290560 /nfs/dbraw/zinc/29/05/60/386290560.db2.gz ILVPAPHFEVNQMO-JGVFFNPUSA-N 1 2 226.280 0.071 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)nc1 ZINC000336666929 386293106 /nfs/dbraw/zinc/29/31/06/386293106.db2.gz LURHBCHQPRWICY-GHMZBOCLSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)nc1 ZINC000336666929 386293108 /nfs/dbraw/zinc/29/31/08/386293108.db2.gz LURHBCHQPRWICY-GHMZBOCLSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+](C)CCOCCO)nc1 ZINC000336667772 386296854 /nfs/dbraw/zinc/29/68/54/386296854.db2.gz OMCIALZTXHXJGK-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCOCCO)nc1 ZINC000336667772 386296858 /nfs/dbraw/zinc/29/68/58/386296858.db2.gz OMCIALZTXHXJGK-UHFFFAOYSA-N 1 2 225.292 0.226 20 0 BCADLO C[C@H](C[N@@H+]1CCN(C)C[C@H]1C)CS(C)(=O)=O ZINC000336674053 386305156 /nfs/dbraw/zinc/30/51/56/386305156.db2.gz LBGRFPBNTZHIGS-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](C[N@H+]1CCN(C)C[C@H]1C)CS(C)(=O)=O ZINC000336674053 386305160 /nfs/dbraw/zinc/30/51/60/386305160.db2.gz LBGRFPBNTZHIGS-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@H+](C)C[C@H]1C)CS(C)(=O)=O ZINC000336674053 386305163 /nfs/dbraw/zinc/30/51/63/386305163.db2.gz LBGRFPBNTZHIGS-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@H](CN1CC[N@@H+](C)C[C@H]1C)CS(C)(=O)=O ZINC000336674053 386305168 /nfs/dbraw/zinc/30/51/68/386305168.db2.gz LBGRFPBNTZHIGS-GHMZBOCLSA-N 1 2 248.392 0.303 20 0 BCADLO C[C@@H](O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276380602 386312860 /nfs/dbraw/zinc/31/28/60/386312860.db2.gz PYGUQCKAMQFGCZ-RKDXNWHRSA-N 1 2 223.276 0.497 20 0 BCADLO Cc1[nH]nc(C(=O)NCc2[nH+]ccn2C)c1C ZINC000265172821 386313495 /nfs/dbraw/zinc/31/34/95/386313495.db2.gz DIGDLOYHWUTDLZ-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO CO[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347273671 386313731 /nfs/dbraw/zinc/31/37/31/386313731.db2.gz GZWZMWRKRGIJAE-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2csnn2)[C@H]1C ZINC000347281853 386318663 /nfs/dbraw/zinc/31/86/63/386318663.db2.gz WGWRLOLXPXKEHY-IONNQARKSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csnn2)[C@H]1C ZINC000347281853 386318666 /nfs/dbraw/zinc/31/86/66/386318666.db2.gz WGWRLOLXPXKEHY-IONNQARKSA-N 1 2 241.316 0.922 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ncc(C)cn1 ZINC000336678415 386319661 /nfs/dbraw/zinc/31/96/61/386319661.db2.gz AOXXURSDFFKOGI-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ncc(C)cn1 ZINC000336678415 386319667 /nfs/dbraw/zinc/31/96/67/386319667.db2.gz AOXXURSDFFKOGI-UHFFFAOYSA-N 1 2 239.319 0.616 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000276431428 386320659 /nfs/dbraw/zinc/32/06/59/386320659.db2.gz HRMQBYYFLURFJQ-UHFFFAOYSA-N 1 2 212.249 0.079 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(CO)o1 ZINC000276431428 386320664 /nfs/dbraw/zinc/32/06/64/386320664.db2.gz HRMQBYYFLURFJQ-UHFFFAOYSA-N 1 2 212.249 0.079 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000645394416 386262669 /nfs/dbraw/zinc/26/26/69/386262669.db2.gz FPAWNWQZWXMCPO-QMMMGPOBSA-N 1 2 247.302 0.675 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000645394416 386262670 /nfs/dbraw/zinc/26/26/70/386262670.db2.gz FPAWNWQZWXMCPO-QMMMGPOBSA-N 1 2 247.302 0.675 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(CC(F)F)CC1 ZINC000339136935 386266453 /nfs/dbraw/zinc/26/64/53/386266453.db2.gz REDCFQUOWDTAQQ-QMMMGPOBSA-N 1 2 235.278 0.133 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)cnn1 ZINC000276076187 386270367 /nfs/dbraw/zinc/27/03/67/386270367.db2.gz MXSJMDIJHUEHCT-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO C[C@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000276083639 386271952 /nfs/dbraw/zinc/27/19/52/386271952.db2.gz GRTGUZBWMYFCNX-DTWKUNHWSA-N 1 2 223.276 0.844 20 0 BCADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nncn1C ZINC000347184652 386273601 /nfs/dbraw/zinc/27/36/01/386273601.db2.gz XMYYJIVENZSYDP-DTWKUNHWSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nncn1C ZINC000347184652 386273605 /nfs/dbraw/zinc/27/36/05/386273605.db2.gz XMYYJIVENZSYDP-DTWKUNHWSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@H]1C[NH+](Cc2cc(C)on2)C[C@@H]1OC ZINC000336661890 386278833 /nfs/dbraw/zinc/27/88/33/386278833.db2.gz AWRRVHRYLUYBER-QWRGUYRKSA-N 1 2 226.276 0.829 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289676458 386340376 /nfs/dbraw/zinc/34/03/76/386340376.db2.gz ASCFIIRFAFNPAC-WDEREUQCSA-N 1 2 237.303 1.000 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289676458 386340379 /nfs/dbraw/zinc/34/03/79/386340379.db2.gz ASCFIIRFAFNPAC-WDEREUQCSA-N 1 2 237.303 1.000 20 0 BCADLO C[C@@H](C(=O)N1CCC12CCC2)[NH+]1CCOCC1 ZINC000335277170 386340424 /nfs/dbraw/zinc/34/04/24/386340424.db2.gz CZQLTIWBGNUIIF-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000347346413 386340524 /nfs/dbraw/zinc/34/05/24/386340524.db2.gz HAJNRWDXMFESOZ-JQWIXIFHSA-N 1 2 244.310 0.716 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000347346413 386340532 /nfs/dbraw/zinc/34/05/32/386340532.db2.gz HAJNRWDXMFESOZ-JQWIXIFHSA-N 1 2 244.310 0.716 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289676441 386342407 /nfs/dbraw/zinc/34/24/07/386342407.db2.gz ASCFIIRFAFNPAC-MNOVXSKESA-N 1 2 237.303 1.000 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289676441 386342409 /nfs/dbraw/zinc/34/24/09/386342409.db2.gz ASCFIIRFAFNPAC-MNOVXSKESA-N 1 2 237.303 1.000 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccncn1 ZINC000276557711 386343231 /nfs/dbraw/zinc/34/32/31/386343231.db2.gz PDBRLYHBXIVGCI-SECBINFHSA-N 1 2 246.274 0.883 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccncn1 ZINC000276557720 386343349 /nfs/dbraw/zinc/34/33/49/386343349.db2.gz PDBRLYHBXIVGCI-VIFPVBQESA-N 1 2 246.274 0.883 20 0 BCADLO Cc1cnn([C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000289697805 386343608 /nfs/dbraw/zinc/34/36/08/386343608.db2.gz BQHPDDGUTQFHHZ-WDEREUQCSA-N 1 2 235.287 0.754 20 0 BCADLO Cc1cnn([C@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000289697805 386343615 /nfs/dbraw/zinc/34/36/15/386343615.db2.gz BQHPDDGUTQFHHZ-WDEREUQCSA-N 1 2 235.287 0.754 20 0 BCADLO CC[N@H+](CCOC)[C@@H](C)c1nnnn1C ZINC000347347971 386344355 /nfs/dbraw/zinc/34/43/55/386344355.db2.gz SVRRLLSCQIWXPG-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO CC[N@@H+](CCOC)[C@@H](C)c1nnnn1C ZINC000347347971 386344360 /nfs/dbraw/zinc/34/43/60/386344360.db2.gz SVRRLLSCQIWXPG-QMMMGPOBSA-N 1 2 213.285 0.239 20 0 BCADLO CC[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276583068 386349457 /nfs/dbraw/zinc/34/94/57/386349457.db2.gz LXISYVNHLXJLMQ-FSIBCCDJSA-N 1 2 223.276 0.700 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276604711 386351466 /nfs/dbraw/zinc/35/14/66/386351466.db2.gz OWRBWXLLPCYFHB-BKIAHZASSA-N 1 2 223.276 0.556 20 0 BCADLO O=C1NCC[N@@H+](CCCO)[C@H]1c1ccccc1 ZINC000265620698 386352064 /nfs/dbraw/zinc/35/20/64/386352064.db2.gz BCIKADSAOMZHNP-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO O=C1NCC[N@H+](CCCO)[C@H]1c1ccccc1 ZINC000265620698 386352069 /nfs/dbraw/zinc/35/20/69/386352069.db2.gz BCIKADSAOMZHNP-LBPRGKRZSA-N 1 2 234.299 0.542 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cccn1 ZINC000298482121 386352871 /nfs/dbraw/zinc/35/28/71/386352871.db2.gz UFSCSBNSIXDBNW-JTQLQIEISA-N 1 2 233.275 0.285 20 0 BCADLO O=C1NCC[N@@H+](CCCCO)[C@@H]1c1ccccc1 ZINC000265655970 386357579 /nfs/dbraw/zinc/35/75/79/386357579.db2.gz QBGRXHPEOOZOGD-CYBMUJFWSA-N 1 2 248.326 0.932 20 0 BCADLO O=C1NCC[N@H+](CCCCO)[C@@H]1c1ccccc1 ZINC000265655970 386357582 /nfs/dbraw/zinc/35/75/82/386357582.db2.gz QBGRXHPEOOZOGD-CYBMUJFWSA-N 1 2 248.326 0.932 20 0 BCADLO Cc1cn2cc(NC(=O)NCCO)ccc2[nH+]1 ZINC000265729784 386362879 /nfs/dbraw/zinc/36/28/79/386362879.db2.gz RUMYMLPFTUUPIY-UHFFFAOYSA-N 1 2 234.259 0.757 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCCn1cccc1 ZINC000276661562 386363324 /nfs/dbraw/zinc/36/33/24/386363324.db2.gz YCKFPPQSWIPJCD-UHFFFAOYSA-N 1 2 246.314 0.971 20 0 BCADLO O=C(C[N@H+]1CCC[C@](F)(CO)C1)NCC1CC1 ZINC000347325218 386363645 /nfs/dbraw/zinc/36/36/45/386363645.db2.gz AJLJHOLCGNCNAO-GFCCVEGCSA-N 1 2 244.310 0.309 20 0 BCADLO O=C(C[N@@H+]1CCC[C@](F)(CO)C1)NCC1CC1 ZINC000347325218 386363648 /nfs/dbraw/zinc/36/36/48/386363648.db2.gz AJLJHOLCGNCNAO-GFCCVEGCSA-N 1 2 244.310 0.309 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289863104 386363689 /nfs/dbraw/zinc/36/36/89/386363689.db2.gz LIEPNWIXRSLQSH-JTQLQIEISA-N 1 2 223.276 0.611 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289863104 386363692 /nfs/dbraw/zinc/36/36/92/386363692.db2.gz LIEPNWIXRSLQSH-JTQLQIEISA-N 1 2 223.276 0.611 20 0 BCADLO c1cc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933668 386369120 /nfs/dbraw/zinc/36/91/20/386369120.db2.gz XIZDKVHWMPKQEG-UHFFFAOYSA-N 1 2 204.233 0.956 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000265820807 386376358 /nfs/dbraw/zinc/37/63/58/386376358.db2.gz KTZOFPZUODEBFJ-JTQLQIEISA-N 1 2 214.265 0.504 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265820807 386376362 /nfs/dbraw/zinc/37/63/62/386376362.db2.gz KTZOFPZUODEBFJ-JTQLQIEISA-N 1 2 214.265 0.504 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000339363840 386387456 /nfs/dbraw/zinc/38/74/56/386387456.db2.gz RDQYZHRHHWMMAZ-JTQLQIEISA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000339363840 386387463 /nfs/dbraw/zinc/38/74/63/386387463.db2.gz RDQYZHRHHWMMAZ-JTQLQIEISA-N 1 2 241.266 0.153 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCN(C)C(=O)C2)n1 ZINC000265866063 386379323 /nfs/dbraw/zinc/37/93/23/386379323.db2.gz LARCHJUUDNEBLM-UHFFFAOYSA-N 1 2 236.319 0.274 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCN(C)C(=O)C2)n1 ZINC000265866063 386379329 /nfs/dbraw/zinc/37/93/29/386379329.db2.gz LARCHJUUDNEBLM-UHFFFAOYSA-N 1 2 236.319 0.274 20 0 BCADLO CC(C)[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000336697555 386380544 /nfs/dbraw/zinc/38/05/44/386380544.db2.gz ONTQQPGZMMVMFM-VIFPVBQESA-N 1 2 209.297 0.688 20 0 BCADLO CC(C)[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336697555 386380549 /nfs/dbraw/zinc/38/05/49/386380549.db2.gz ONTQQPGZMMVMFM-VIFPVBQESA-N 1 2 209.297 0.688 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1CCOC1)C(=O)OC ZINC000336775144 386381622 /nfs/dbraw/zinc/38/16/22/386381622.db2.gz YEWTVINUOQRFFL-KOLCDFICSA-N 1 2 231.292 0.191 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000265938081 386384489 /nfs/dbraw/zinc/38/44/89/386384489.db2.gz GQWPOHHGBAYKJM-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265944157 386385025 /nfs/dbraw/zinc/38/50/25/386385025.db2.gz LWKHTESRORPSOE-DTWKUNHWSA-N 1 2 240.307 0.236 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cn1 ZINC000289556471 386327264 /nfs/dbraw/zinc/32/72/64/386327264.db2.gz RLXQUUDZQDFRKI-CYBMUJFWSA-N 1 2 249.314 0.858 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cn1 ZINC000289556471 386327269 /nfs/dbraw/zinc/32/72/69/386327269.db2.gz RLXQUUDZQDFRKI-CYBMUJFWSA-N 1 2 249.314 0.858 20 0 BCADLO Cc1nc(N2CN(C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000645396579 386329963 /nfs/dbraw/zinc/32/99/63/386329963.db2.gz YVSXAMIECFFSPY-ZETCQYMHSA-N 1 2 206.249 0.409 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347337296 386333080 /nfs/dbraw/zinc/33/30/80/386333080.db2.gz AUAFHPMKJNHCRG-CMPLNLGQSA-N 1 2 245.294 0.734 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347337296 386333087 /nfs/dbraw/zinc/33/30/87/386333087.db2.gz AUAFHPMKJNHCRG-CMPLNLGQSA-N 1 2 245.294 0.734 20 0 BCADLO O=C(CN1CCc2[nH+]c[nH]c2C1)NCC1CC1 ZINC000647933203 386333145 /nfs/dbraw/zinc/33/31/45/386333145.db2.gz FSQWGDFVHCKNQO-UHFFFAOYSA-N 1 2 234.303 0.294 20 0 BCADLO C[C@H](CNC(=O)[C@H](C)O)Cn1cc[nH+]c1 ZINC000276503510 386336311 /nfs/dbraw/zinc/33/63/11/386336311.db2.gz JTRUYMJGXIRCKN-BDAKNGLRSA-N 1 2 211.265 0.016 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CF)C1 ZINC000334490508 386337983 /nfs/dbraw/zinc/33/79/83/386337983.db2.gz KOWLDIJTZWCTMV-QMMMGPOBSA-N 1 2 218.272 0.181 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CF)C1 ZINC000334490508 386337990 /nfs/dbraw/zinc/33/79/90/386337990.db2.gz KOWLDIJTZWCTMV-QMMMGPOBSA-N 1 2 218.272 0.181 20 0 BCADLO COC(=O)[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276522856 386338054 /nfs/dbraw/zinc/33/80/54/386338054.db2.gz CXUSWRYQBWEURS-ORAHPGNNSA-N 1 2 249.270 0.587 20 0 BCADLO Cc1cc(C[N@H+](C)CCN2CCNC2=O)no1 ZINC000290438390 386437370 /nfs/dbraw/zinc/43/73/70/386437370.db2.gz VJPNAEBCYFECLX-UHFFFAOYSA-N 1 2 238.291 0.440 20 0 BCADLO Cc1cc(C[N@@H+](C)CCN2CCNC2=O)no1 ZINC000290438390 386437372 /nfs/dbraw/zinc/43/73/72/386437372.db2.gz VJPNAEBCYFECLX-UHFFFAOYSA-N 1 2 238.291 0.440 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339467425 386442370 /nfs/dbraw/zinc/44/23/70/386442370.db2.gz JGCBUPDDUXHWQT-VHSXEESVSA-N 1 2 237.303 0.771 20 0 BCADLO C[NH+](C)C[C@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC000647970927 386442571 /nfs/dbraw/zinc/44/25/71/386442571.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 1 2 223.324 0.231 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347546778 386447669 /nfs/dbraw/zinc/44/76/69/386447669.db2.gz WFSZJWANRIQSRN-CBAPKCEASA-N 1 2 222.292 0.495 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347546778 386447675 /nfs/dbraw/zinc/44/76/75/386447675.db2.gz WFSZJWANRIQSRN-CBAPKCEASA-N 1 2 222.292 0.495 20 0 BCADLO Cc1c[nH]nc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000336778143 386449378 /nfs/dbraw/zinc/44/93/78/386449378.db2.gz KLYJMRPFNLUWJB-QMMMGPOBSA-N 1 2 228.271 0.282 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000266013335 386389228 /nfs/dbraw/zinc/38/92/28/386389228.db2.gz SWRQRFMTOZNDOE-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000266013335 386389233 /nfs/dbraw/zinc/38/92/33/386389233.db2.gz SWRQRFMTOZNDOE-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336703847 386390441 /nfs/dbraw/zinc/39/04/41/386390441.db2.gz OUJSIHKHRXWNBH-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336703847 386390446 /nfs/dbraw/zinc/39/04/46/386390446.db2.gz OUJSIHKHRXWNBH-QWRGUYRKSA-N 1 2 247.360 0.674 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cnn1C ZINC000336694507 386390788 /nfs/dbraw/zinc/39/07/88/386390788.db2.gz LJLLNNQXIWFAHB-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cnn1C ZINC000336694507 386390791 /nfs/dbraw/zinc/39/07/91/386390791.db2.gz LJLLNNQXIWFAHB-SKDRFNHKSA-N 1 2 239.319 0.310 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347352846 386392472 /nfs/dbraw/zinc/39/24/72/386392472.db2.gz OEHOWSXKCLJCGB-GZMMTYOYSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347352846 386392479 /nfs/dbraw/zinc/39/24/79/386392479.db2.gz OEHOWSXKCLJCGB-GZMMTYOYSA-N 1 2 246.282 0.098 20 0 BCADLO Cc1nnc(C[N@H+](C)CC2(O)CCC2)n1C ZINC000331994452 386392993 /nfs/dbraw/zinc/39/29/93/386392993.db2.gz PBEJIOQKIARPBI-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC2(O)CCC2)n1C ZINC000331994452 386392996 /nfs/dbraw/zinc/39/29/96/386392996.db2.gz PBEJIOQKIARPBI-UHFFFAOYSA-N 1 2 224.308 0.470 20 0 BCADLO CON(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276944928 386395238 /nfs/dbraw/zinc/39/52/38/386395238.db2.gz WLMMQGULKBSSRG-MRVPVSSYSA-N 1 2 212.253 0.474 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298993153 386402042 /nfs/dbraw/zinc/40/20/42/386402042.db2.gz IWPXTZNSRUINMS-OUAUKWLOSA-N 1 2 237.303 0.813 20 0 BCADLO Cc1nc(N(C)CC(=O)N(C)C)cc[nH+]1 ZINC000266173553 386408632 /nfs/dbraw/zinc/40/86/32/386408632.db2.gz ZXKICRICACZGNS-UHFFFAOYSA-N 1 2 208.265 0.309 20 0 BCADLO CCC[C@@H]([NH2+][C@H](C)CC(=O)NC)C(=O)OCC ZINC000322515233 386410832 /nfs/dbraw/zinc/41/08/32/386410832.db2.gz BHHFIYJFPVFXTL-NXEZZACHSA-N 1 2 244.335 0.832 20 0 BCADLO Cc1noc(CCC[NH+]2CCN(C)CC2)n1 ZINC000336707649 386413146 /nfs/dbraw/zinc/41/31/46/386413146.db2.gz SUGOVMKAAQEBGZ-UHFFFAOYSA-N 1 2 224.308 0.558 20 0 BCADLO COCCc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000336708196 386414214 /nfs/dbraw/zinc/41/42/14/386414214.db2.gz PGEHXLUPBULOGX-UHFFFAOYSA-N 1 2 241.291 0.215 20 0 BCADLO COCCc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000336708196 386414220 /nfs/dbraw/zinc/41/42/20/386414220.db2.gz PGEHXLUPBULOGX-UHFFFAOYSA-N 1 2 241.291 0.215 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493450485 533172031 /nfs/dbraw/zinc/17/20/31/533172031.db2.gz JPIWOPDUIWEUMT-MPJRPATESA-N 1 2 237.259 0.348 20 0 BCADLO CC[N@H+](CCCO)Cc1nc([C@@H](C)OC)no1 ZINC000336710659 386424562 /nfs/dbraw/zinc/42/45/62/386424562.db2.gz QRIFHTYLKWGJAS-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc([C@@H](C)OC)no1 ZINC000336710659 386424566 /nfs/dbraw/zinc/42/45/66/386424566.db2.gz QRIFHTYLKWGJAS-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccoc1C ZINC000414440301 386466631 /nfs/dbraw/zinc/46/66/31/386466631.db2.gz UPJHOJGOEJKPCU-GHMZBOCLSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccoc1C ZINC000414440301 386466637 /nfs/dbraw/zinc/46/66/37/386466637.db2.gz UPJHOJGOEJKPCU-GHMZBOCLSA-N 1 2 239.271 0.696 20 0 BCADLO CN(Cc1nccn1C)C(=O)CCn1cc[nH+]c1 ZINC000299568470 386466901 /nfs/dbraw/zinc/46/69/01/386466901.db2.gz HLFZNBCPMHBLKH-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO C[C@@H](CO)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000299562635 386468465 /nfs/dbraw/zinc/46/84/65/386468465.db2.gz FQSPSCRCVFQOGO-SECBINFHSA-N 1 2 236.319 0.505 20 0 BCADLO C[C@@H](CO)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000299562635 386468474 /nfs/dbraw/zinc/46/84/74/386468474.db2.gz FQSPSCRCVFQOGO-SECBINFHSA-N 1 2 236.319 0.505 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)C(C)(C)C ZINC000266805552 386470823 /nfs/dbraw/zinc/47/08/23/386470823.db2.gz GEGSHTYVPCOWRM-UHFFFAOYSA-N 1 2 237.303 0.994 20 0 BCADLO CCN(CCOC)C(=O)CCn1cc[nH+]c1 ZINC000299586622 386471410 /nfs/dbraw/zinc/47/14/10/386471410.db2.gz KEJHMRJMTAWROY-UHFFFAOYSA-N 1 2 225.292 0.768 20 0 BCADLO CC(C)(C(=O)N1CC2(C1)CCOC2)c1c[nH+]c[nH]1 ZINC000335425751 386476392 /nfs/dbraw/zinc/47/63/92/386476392.db2.gz ZLUYYXUNSBECEN-UHFFFAOYSA-N 1 2 249.314 0.936 20 0 BCADLO C[NH+]1CCN(C(=O)CSc2ncc[nH]2)CC1 ZINC000335365644 386478032 /nfs/dbraw/zinc/47/80/32/386478032.db2.gz XFIZXYHJKBKQDP-UHFFFAOYSA-N 1 2 240.332 0.276 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000336778883 386479449 /nfs/dbraw/zinc/47/94/49/386479449.db2.gz MOLWZNGROMKVLH-ZETCQYMHSA-N 1 2 226.280 0.507 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NOC/C=C/Cl ZINC000290837662 386481838 /nfs/dbraw/zinc/48/18/38/386481838.db2.gz YORWZAKJWVGQBF-NSCUHMNNSA-N 1 2 244.682 0.903 20 0 BCADLO Cc1n[nH]cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267020528 386485398 /nfs/dbraw/zinc/48/53/98/386485398.db2.gz CQNSFPWWYZKBHJ-VIFPVBQESA-N 1 2 247.302 0.981 20 0 BCADLO C[C@H](O)CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291254755 386529552 /nfs/dbraw/zinc/52/95/52/386529552.db2.gz BEPALIUFYBLGAU-UWVGGRQHSA-N 1 2 240.307 0.294 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000193048460 386529694 /nfs/dbraw/zinc/52/96/94/386529694.db2.gz GCJFMBCRTLUOEM-GHMZBOCLSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193048460 386529698 /nfs/dbraw/zinc/52/96/98/386529698.db2.gz GCJFMBCRTLUOEM-GHMZBOCLSA-N 1 2 242.319 0.350 20 0 BCADLO O=C(c1c[nH]c(=S)[nH]1)N1CCn2c[nH+]cc2C1 ZINC000291033537 386502951 /nfs/dbraw/zinc/50/29/51/386502951.db2.gz FMUYGMMLPUTUPB-UHFFFAOYSA-N 1 2 249.299 0.551 20 0 BCADLO CCc1cc(C(=O)NCc2[nH]c[nH+]c2C)[nH]n1 ZINC000267206378 386509787 /nfs/dbraw/zinc/50/97/87/386509787.db2.gz MDLGDEIHXIQTHX-UHFFFAOYSA-N 1 2 233.275 0.934 20 0 BCADLO CCN(CCOC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339677924 386515407 /nfs/dbraw/zinc/51/54/07/386515407.db2.gz FNRSNLOJSQDJRC-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO Cc1nc(N(CCO)CC2CC2)cc[nH+]1 ZINC000343233059 386516624 /nfs/dbraw/zinc/51/66/24/386516624.db2.gz HLCUCHRRTOAKOY-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO C[C@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000278364602 386517251 /nfs/dbraw/zinc/51/72/51/386517251.db2.gz LWVAVHAAMYRFCI-SGJFDWMWSA-N 1 2 209.249 0.168 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386517993 /nfs/dbraw/zinc/51/79/93/386517993.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 1 2 208.309 0.887 20 0 BCADLO CC[C@]1(C)C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000647972157 386520894 /nfs/dbraw/zinc/52/08/94/386520894.db2.gz NEOWNJFSHLQXSV-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO CC[C@]1(C)C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000647972157 386520898 /nfs/dbraw/zinc/52/08/98/386520898.db2.gz NEOWNJFSHLQXSV-LLVKDONJSA-N 1 2 224.308 0.848 20 0 BCADLO COC[C@@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000228454675 386576911 /nfs/dbraw/zinc/57/69/11/386576911.db2.gz YCKXKPWGLOMRAR-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000228454675 386576916 /nfs/dbraw/zinc/57/69/16/386576916.db2.gz YCKXKPWGLOMRAR-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(F)F ZINC000267728211 386579106 /nfs/dbraw/zinc/57/91/06/386579106.db2.gz VLJBEJNEIIABGL-SSDOTTSWSA-N 1 2 232.234 0.836 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000335414386 386579592 /nfs/dbraw/zinc/57/95/92/386579592.db2.gz JCVWODYPVPEXFU-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO CCN(C(=O)[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000335414386 386579596 /nfs/dbraw/zinc/57/95/96/386579596.db2.gz JCVWODYPVPEXFU-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H](O)CCC[NH+]1CCS(=O)CC1 ZINC000336643909 386580081 /nfs/dbraw/zinc/58/00/81/386580081.db2.gz LGNDXVDSASSVKN-VIFPVBQESA-N 1 2 205.323 0.212 20 0 BCADLO CO[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000267769817 386582732 /nfs/dbraw/zinc/58/27/32/386582732.db2.gz ZUDFBAGDKPPGRA-JTQLQIEISA-N 1 2 248.330 0.690 20 0 BCADLO CO[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000267769817 386582739 /nfs/dbraw/zinc/58/27/39/386582739.db2.gz ZUDFBAGDKPPGRA-JTQLQIEISA-N 1 2 248.330 0.690 20 0 BCADLO Nc1ccnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291814634 386584666 /nfs/dbraw/zinc/58/46/66/386584666.db2.gz NPJZILPWWYFNAF-SNVBAGLBSA-N 1 2 244.302 0.702 20 0 BCADLO Nc1ccnc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291814634 386584676 /nfs/dbraw/zinc/58/46/76/386584676.db2.gz NPJZILPWWYFNAF-SNVBAGLBSA-N 1 2 244.302 0.702 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000291808479 386585943 /nfs/dbraw/zinc/58/59/43/386585943.db2.gz CJHLAMDRVKHMBO-VJIGKBMESA-N 1 2 223.276 0.963 20 0 BCADLO [NH3+][C@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000335419570 386590187 /nfs/dbraw/zinc/59/01/87/386590187.db2.gz VKVLNWFMOVZXQM-ZETCQYMHSA-N 1 2 242.225 0.844 20 0 BCADLO CO[C@H](C[NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000262962772 386598792 /nfs/dbraw/zinc/59/87/92/386598792.db2.gz WTVODBNJVJVEPI-QMMMGPOBSA-N 1 2 249.274 0.260 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccncc1 ZINC000267863065 386592888 /nfs/dbraw/zinc/59/28/88/386592888.db2.gz BAVHLNDATDAUHN-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccncc1 ZINC000267863065 386592897 /nfs/dbraw/zinc/59/28/97/386592897.db2.gz BAVHLNDATDAUHN-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CC(C)(C(=O)N1CC[C@@H](F)C1)[NH+]1CCOCC1 ZINC000335421432 386593301 /nfs/dbraw/zinc/59/33/01/386593301.db2.gz LWDHJXBYVWRMBC-SNVBAGLBSA-N 1 2 244.310 0.668 20 0 BCADLO COC(=O)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000267333210 386530806 /nfs/dbraw/zinc/53/08/06/386530806.db2.gz QWPUAUOJCQIXMV-ZCFIWIBFSA-N 1 2 225.248 0.400 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C=O)[nH]1 ZINC000267371657 386534521 /nfs/dbraw/zinc/53/45/21/386534521.db2.gz QCNRDJOTVOTHFH-VIFPVBQESA-N 1 2 246.270 0.842 20 0 BCADLO CO[C@@](C)(CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000291370185 386535200 /nfs/dbraw/zinc/53/52/00/386535200.db2.gz XZABNGKLMZGVSP-LBPRGKRZSA-N 1 2 237.303 0.814 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000527388985 386536690 /nfs/dbraw/zinc/53/66/90/386536690.db2.gz PHAXLMXQUAVXQD-IJLUTSLNSA-N 1 2 249.314 0.646 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291389106 386539660 /nfs/dbraw/zinc/53/96/60/386539660.db2.gz BFGIHFOINAIONG-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291389106 386539666 /nfs/dbraw/zinc/53/96/66/386539666.db2.gz BFGIHFOINAIONG-NSHDSACASA-N 1 2 232.291 0.459 20 0 BCADLO CC(C)(CO)[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000339727506 386542076 /nfs/dbraw/zinc/54/20/76/386542076.db2.gz FAXLTSXZTWZAFH-SECBINFHSA-N 1 2 240.307 0.397 20 0 BCADLO CS[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339729392 386544461 /nfs/dbraw/zinc/54/44/61/386544461.db2.gz GVCRHXBFRBDJEV-JTQLQIEISA-N 1 2 246.376 0.529 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000291431999 386546527 /nfs/dbraw/zinc/54/65/27/386546527.db2.gz HVMRBVMUEGNXNX-VIFPVBQESA-N 1 2 211.265 0.016 20 0 BCADLO COC(C)(C)CC(=O)NCc1[nH+]ccn1C ZINC000278568821 386549163 /nfs/dbraw/zinc/54/91/63/386549163.db2.gz GDJWPWOWIVRVLP-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CC1(CO)CC1 ZINC000291506154 386550880 /nfs/dbraw/zinc/55/08/80/386550880.db2.gz HUFGIICNYAKHOH-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)CC1(CO)CC1 ZINC000291506154 386550889 /nfs/dbraw/zinc/55/08/89/386550889.db2.gz HUFGIICNYAKHOH-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nnc(C)s1 ZINC000519773806 386553813 /nfs/dbraw/zinc/55/38/13/386553813.db2.gz OLBDIBJWHGYLCX-FTLITQJKSA-N 1 2 243.332 0.911 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000519799321 386557043 /nfs/dbraw/zinc/55/70/43/386557043.db2.gz QNTPEGXDQUOKSY-HBNTYKKESA-N 1 2 235.287 0.567 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2CO)[nH]1 ZINC000408372453 386559191 /nfs/dbraw/zinc/55/91/91/386559191.db2.gz CBMVHSVRNWASHU-VIFPVBQESA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@H]2CO)[nH]1 ZINC000408372453 386559195 /nfs/dbraw/zinc/55/91/95/386559195.db2.gz CBMVHSVRNWASHU-VIFPVBQESA-N 1 2 224.308 0.885 20 0 BCADLO C=Cn1cc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000193607888 386562499 /nfs/dbraw/zinc/56/24/99/386562499.db2.gz VHJPWVJSLWTXTG-JTQLQIEISA-N 1 2 220.276 0.433 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000193607888 386562505 /nfs/dbraw/zinc/56/25/05/386562505.db2.gz VHJPWVJSLWTXTG-JTQLQIEISA-N 1 2 220.276 0.433 20 0 BCADLO C[C@H]1COCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408421470 386565646 /nfs/dbraw/zinc/56/56/46/386565646.db2.gz KRTKQCYSSNQCTA-ZETCQYMHSA-N 1 2 248.290 0.171 20 0 BCADLO Cn1c[nH+]cc1CN1CCN(CC(F)F)CC1 ZINC000267648067 386566817 /nfs/dbraw/zinc/56/68/17/386566817.db2.gz WYSSPYFTHMSILG-UHFFFAOYSA-N 1 2 244.289 0.803 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CCNC(=O)C1 ZINC000335407268 386567023 /nfs/dbraw/zinc/56/70/23/386567023.db2.gz IVGSZRSHRSGELJ-UHFFFAOYSA-N 1 2 219.288 0.364 20 0 BCADLO Cc1cnccc1CC[N@H+]1CCNC(=O)C1 ZINC000335407268 386567028 /nfs/dbraw/zinc/56/70/28/386567028.db2.gz IVGSZRSHRSGELJ-UHFFFAOYSA-N 1 2 219.288 0.364 20 0 BCADLO C[N@H+](Cc1cncs1)[C@@H]1COC[C@H]1O ZINC000289179165 386573389 /nfs/dbraw/zinc/57/33/89/386573389.db2.gz AGKNKQAZJVXGLI-RKDXNWHRSA-N 1 2 214.290 0.335 20 0 BCADLO C[N@@H+](Cc1cncs1)[C@@H]1COC[C@H]1O ZINC000289179165 386573393 /nfs/dbraw/zinc/57/33/93/386573393.db2.gz AGKNKQAZJVXGLI-RKDXNWHRSA-N 1 2 214.290 0.335 20 0 BCADLO Cc1ccc2[nH+]c(CNC(=O)CO)cn2c1 ZINC000292104626 386620672 /nfs/dbraw/zinc/62/06/72/386620672.db2.gz ZQDDPEHEFMRYHJ-UHFFFAOYSA-N 1 2 219.244 0.251 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000268129564 386622625 /nfs/dbraw/zinc/62/26/25/386622625.db2.gz AHRMUFWCKGRWLU-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO C[C@](O)(CC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000328787357 386625529 /nfs/dbraw/zinc/62/55/29/386625529.db2.gz OXXNEPYAEYURML-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000328799499 386625603 /nfs/dbraw/zinc/62/56/03/386625603.db2.gz HGNYXAQHFBFEAF-SECBINFHSA-N 1 2 240.307 0.757 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000328799499 386625608 /nfs/dbraw/zinc/62/56/08/386625608.db2.gz HGNYXAQHFBFEAF-SECBINFHSA-N 1 2 240.307 0.757 20 0 BCADLO Cc1cn2c(n1)C[N@H+](CC[C@@H](C)O)CC2 ZINC000644929337 386625835 /nfs/dbraw/zinc/62/58/35/386625835.db2.gz XWWKIPPVYFNMNF-SNVBAGLBSA-N 1 2 209.293 0.778 20 0 BCADLO Cc1cn2c(n1)C[N@@H+](CC[C@@H](C)O)CC2 ZINC000644929337 386625838 /nfs/dbraw/zinc/62/58/38/386625838.db2.gz XWWKIPPVYFNMNF-SNVBAGLBSA-N 1 2 209.293 0.778 20 0 BCADLO C[C@H](O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000644931371 386628884 /nfs/dbraw/zinc/62/88/84/386628884.db2.gz RIUPUIQFDOHTLD-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@H](O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000644931371 386628888 /nfs/dbraw/zinc/62/88/88/386628888.db2.gz RIUPUIQFDOHTLD-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000268188563 386629518 /nfs/dbraw/zinc/62/95/18/386629518.db2.gz VJBSKEPBGMVNIR-SECBINFHSA-N 1 2 239.275 0.199 20 0 BCADLO Cc1[nH]c(C(=O)NCCC[C@@H](C)O)c[nH+]1 ZINC000279136432 386637207 /nfs/dbraw/zinc/63/72/07/386637207.db2.gz NWECROHXZZOIKQ-SSDOTTSWSA-N 1 2 211.265 0.609 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1CF)N1CCNC1=O ZINC000328871617 386638477 /nfs/dbraw/zinc/63/84/77/386638477.db2.gz QCIPFFAZRFZAOA-QMMMGPOBSA-N 1 2 229.255 0.177 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1CF)N1CCNC1=O ZINC000328871617 386638481 /nfs/dbraw/zinc/63/84/81/386638481.db2.gz QCIPFFAZRFZAOA-QMMMGPOBSA-N 1 2 229.255 0.177 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCCO1 ZINC000279184537 386646644 /nfs/dbraw/zinc/64/66/44/386646644.db2.gz KNXJODSPOJZCTB-UHFFFAOYSA-N 1 2 209.249 0.517 20 0 BCADLO COC(=O)C[NH2+]C1(CC(=O)OC)CCCC1 ZINC000336758662 386647094 /nfs/dbraw/zinc/64/70/94/386647094.db2.gz ILHGHOUOWVJILK-UHFFFAOYSA-N 1 2 229.276 0.625 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC23CC3)c1 ZINC000644962425 386647281 /nfs/dbraw/zinc/64/72/81/386647281.db2.gz STKINYLFMGERDI-SNVBAGLBSA-N 1 2 234.303 0.814 20 0 BCADLO CC1(C)C[S@](=O)CC[N@@H+]1CCCO ZINC000307413705 386647470 /nfs/dbraw/zinc/64/74/70/386647470.db2.gz HQXUWCALFLOYKI-CYBMUJFWSA-N 1 2 205.323 0.212 20 0 BCADLO CC1(C)C[S@](=O)CC[N@H+]1CCCO ZINC000307413705 386647476 /nfs/dbraw/zinc/64/74/76/386647476.db2.gz HQXUWCALFLOYKI-CYBMUJFWSA-N 1 2 205.323 0.212 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NO[C@H]1CCCCO1 ZINC000279204250 386650525 /nfs/dbraw/zinc/65/05/25/386650525.db2.gz NELDYOJPFWPEOA-NSHDSACASA-N 1 2 239.275 0.917 20 0 BCADLO Cn1cc([C@H]2CC[N@H+](Cc3n[nH]c(=O)[nH]3)C2)cn1 ZINC000329326682 386650682 /nfs/dbraw/zinc/65/06/82/386650682.db2.gz UEGDYMYYLNNIEH-QMMMGPOBSA-N 1 2 248.290 0.233 20 0 BCADLO Cn1cc([C@H]2CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)cn1 ZINC000329326682 386650687 /nfs/dbraw/zinc/65/06/87/386650687.db2.gz UEGDYMYYLNNIEH-QMMMGPOBSA-N 1 2 248.290 0.233 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000328904813 386652231 /nfs/dbraw/zinc/65/22/31/386652231.db2.gz JNXFBYLTFCPJTD-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000328904813 386652235 /nfs/dbraw/zinc/65/22/35/386652235.db2.gz JNXFBYLTFCPJTD-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336759151 386653500 /nfs/dbraw/zinc/65/35/00/386653500.db2.gz ISZHZEUSNYGRRY-HTQZYQBOSA-N 1 2 226.280 0.558 20 0 BCADLO Cc1cc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)n[nH]1 ZINC000267969625 386604713 /nfs/dbraw/zinc/60/47/13/386604713.db2.gz UESBFMJVHOMIID-JTQLQIEISA-N 1 2 247.302 0.662 20 0 BCADLO Cc1cc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000267969625 386604715 /nfs/dbraw/zinc/60/47/15/386604715.db2.gz UESBFMJVHOMIID-JTQLQIEISA-N 1 2 247.302 0.662 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(CF)C1 ZINC000335490226 386607029 /nfs/dbraw/zinc/60/70/29/386607029.db2.gz CETREZSSPSPHMH-JTQLQIEISA-N 1 2 237.278 0.873 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](O)C(C)C ZINC000278948320 386608709 /nfs/dbraw/zinc/60/87/09/386608709.db2.gz VJEQWVSCQVVMMC-SNVBAGLBSA-N 1 2 225.292 0.394 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCNC(=O)CC1 ZINC000096593531 386609601 /nfs/dbraw/zinc/60/96/01/386609601.db2.gz WOUFSDKGNVOCPU-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+]1CCNC(=O)CC1 ZINC000096593531 386609610 /nfs/dbraw/zinc/60/96/10/386609610.db2.gz WOUFSDKGNVOCPU-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CCCO1 ZINC000268011328 386611214 /nfs/dbraw/zinc/61/12/14/386611214.db2.gz ZXADTJINEAOZBP-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO C[NH+]1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC000335493261 386611577 /nfs/dbraw/zinc/61/15/77/386611577.db2.gz DUWNRKGYIFIBQN-UHFFFAOYSA-N 1 2 234.303 0.217 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000268072086 386616551 /nfs/dbraw/zinc/61/65/51/386616551.db2.gz ASYIBHOFEMZJAL-UWVGGRQHSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@H]1O ZINC000265594257 386659441 /nfs/dbraw/zinc/65/94/41/386659441.db2.gz QGZXVVMEZUPWFC-RKDXNWHRSA-N 1 2 233.275 0.689 20 0 BCADLO CCOCC[NH2+][C@](C)(CC)C(=O)OC ZINC000336647465 386659960 /nfs/dbraw/zinc/65/99/60/386659960.db2.gz FGYZPHZEZCLABM-SNVBAGLBSA-N 1 2 203.282 0.954 20 0 BCADLO CCOCC[NH2+][C@@](C)(CC)C(=O)OC ZINC000336647464 386660473 /nfs/dbraw/zinc/66/04/73/386660473.db2.gz FGYZPHZEZCLABM-JTQLQIEISA-N 1 2 203.282 0.954 20 0 BCADLO Cc1nnc2c(N(C)Cc3[nH]cc[nH+]3)nccn12 ZINC000428124812 386664125 /nfs/dbraw/zinc/66/41/25/386664125.db2.gz IHUZQGJMNHJJAH-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000525834305 386667505 /nfs/dbraw/zinc/66/75/05/386667505.db2.gz XNHIQWWWQBUYJS-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000525834305 386667509 /nfs/dbraw/zinc/66/75/09/386667509.db2.gz XNHIQWWWQBUYJS-LDYMZIIASA-N 1 2 226.276 0.565 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2nc(COC)no2)C1 ZINC000425930478 386671444 /nfs/dbraw/zinc/67/14/44/386671444.db2.gz NVTAJYPTWFZSHJ-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(COC)no2)C1 ZINC000425930478 386671448 /nfs/dbraw/zinc/67/14/48/386671448.db2.gz NVTAJYPTWFZSHJ-LLVKDONJSA-N 1 2 241.291 0.563 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000520429777 386671780 /nfs/dbraw/zinc/67/17/80/386671780.db2.gz UGXJWBSNOMFCRH-QMMMGPOBSA-N 1 2 210.281 0.251 20 0 BCADLO CNC(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000520429777 386671783 /nfs/dbraw/zinc/67/17/83/386671783.db2.gz UGXJWBSNOMFCRH-QMMMGPOBSA-N 1 2 210.281 0.251 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185267225 386682031 /nfs/dbraw/zinc/68/20/31/386682031.db2.gz DEPKFVKTQCZNBB-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185267225 386682041 /nfs/dbraw/zinc/68/20/41/386682041.db2.gz DEPKFVKTQCZNBB-QMMMGPOBSA-N 1 2 228.296 0.338 20 0 BCADLO CCCc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050115501 386683560 /nfs/dbraw/zinc/68/35/60/386683560.db2.gz QGSQFYXQKAGVLX-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050115501 386683562 /nfs/dbraw/zinc/68/35/62/386683562.db2.gz QGSQFYXQKAGVLX-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000292536422 386684437 /nfs/dbraw/zinc/68/44/37/386684437.db2.gz PMISFMWQCIJNOS-NSHDSACASA-N 1 2 238.291 0.498 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000292536422 386684441 /nfs/dbraw/zinc/68/44/41/386684441.db2.gz PMISFMWQCIJNOS-NSHDSACASA-N 1 2 238.291 0.498 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1nccs1 ZINC000050115154 386684701 /nfs/dbraw/zinc/68/47/01/386684701.db2.gz XDJPDZADHRWTAT-QMMMGPOBSA-N 1 2 241.316 0.538 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1nccs1 ZINC000050115154 386684706 /nfs/dbraw/zinc/68/47/06/386684706.db2.gz XDJPDZADHRWTAT-QMMMGPOBSA-N 1 2 241.316 0.538 20 0 BCADLO O=C1CNC(=O)N1C[C@H]1CCCn2cc[nH+]c21 ZINC000329491945 386688140 /nfs/dbraw/zinc/68/81/40/386688140.db2.gz VUHNGFUZXWONBC-MRVPVSSYSA-N 1 2 234.259 0.517 20 0 BCADLO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)C(=O)OC ZINC000192857151 386688520 /nfs/dbraw/zinc/68/85/20/386688520.db2.gz RROHCFYIMVTZRR-WDEREUQCSA-N 1 2 245.319 0.723 20 0 BCADLO CC[C@@H]([NH2+]CC(C)(C)C(=O)OC)C(=O)OC ZINC000192857318 386688876 /nfs/dbraw/zinc/68/88/76/386688876.db2.gz GHVQBKVPYLYWIK-MRVPVSSYSA-N 1 2 231.292 0.727 20 0 BCADLO CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)C(=O)OC ZINC000192856366 386689471 /nfs/dbraw/zinc/68/94/71/386689471.db2.gz ZMHFQEMMBAKAPF-MXWKQRLJSA-N 1 2 245.319 0.722 20 0 BCADLO CC(C)n1nccc1C[N@@H+]1CCNC(=O)CC1 ZINC000279506920 386690604 /nfs/dbraw/zinc/69/06/04/386690604.db2.gz ADCCBAMKECBOIR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CC(C)n1nccc1C[N@H+]1CCNC(=O)CC1 ZINC000279506920 386690611 /nfs/dbraw/zinc/69/06/11/386690611.db2.gz ADCCBAMKECBOIR-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000335473528 386694392 /nfs/dbraw/zinc/69/43/92/386694392.db2.gz BUZZNCHEUCTXNJ-AAEUAGOBSA-N 1 2 238.331 0.932 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000335473528 386694396 /nfs/dbraw/zinc/69/43/96/386694396.db2.gz BUZZNCHEUCTXNJ-AAEUAGOBSA-N 1 2 238.331 0.932 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ncn1 ZINC000292608854 386697230 /nfs/dbraw/zinc/69/72/30/386697230.db2.gz WTODARLKNHMWCE-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ncn1 ZINC000292608854 386697237 /nfs/dbraw/zinc/69/72/37/386697237.db2.gz WTODARLKNHMWCE-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)N[C@@H](C)C1=O ZINC000292631979 386699334 /nfs/dbraw/zinc/69/93/34/386699334.db2.gz FGQFUBJGZWSWLO-ZETCQYMHSA-N 1 2 235.243 0.531 20 0 BCADLO CCc1nc(NC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000479180498 386700049 /nfs/dbraw/zinc/70/00/49/386700049.db2.gz AAJFPDJEXANMRU-UHFFFAOYSA-N 1 2 234.263 0.592 20 0 BCADLO CCc1nnc(NC(=O)CCn2cc[nH+]c2)[nH]1 ZINC000479180498 386700055 /nfs/dbraw/zinc/70/00/55/386700055.db2.gz AAJFPDJEXANMRU-UHFFFAOYSA-N 1 2 234.263 0.592 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2COCCO2)n1 ZINC000520603789 386704882 /nfs/dbraw/zinc/70/48/82/386704882.db2.gz AUWODJMYYHAOJR-WPRPVWTQSA-N 1 2 241.291 0.786 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000520603789 386704887 /nfs/dbraw/zinc/70/48/87/386704887.db2.gz AUWODJMYYHAOJR-WPRPVWTQSA-N 1 2 241.291 0.786 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)nn1 ZINC000330416809 386707310 /nfs/dbraw/zinc/70/73/10/386707310.db2.gz CGKLGFOCTPCBHG-SECBINFHSA-N 1 2 236.275 0.985 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)nn1 ZINC000330416809 386707317 /nfs/dbraw/zinc/70/73/17/386707317.db2.gz CGKLGFOCTPCBHG-SECBINFHSA-N 1 2 236.275 0.985 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000330442847 386739046 /nfs/dbraw/zinc/73/90/46/386739046.db2.gz PUJMPMOZFHUETF-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330430264 386713986 /nfs/dbraw/zinc/71/39/86/386713986.db2.gz VLTLOABJOVFYPB-UHFFFAOYSA-N 1 2 238.291 0.174 20 0 BCADLO CC(=O)[C@@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000340693536 386713954 /nfs/dbraw/zinc/71/39/54/386713954.db2.gz CDLSRHKERJWYOB-SNVBAGLBSA-N 1 2 244.360 0.471 20 0 BCADLO COC(=O)C(C)(C)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000330454978 386716225 /nfs/dbraw/zinc/71/62/25/386716225.db2.gz WOYXLIXCABFTAA-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)C(C)(C)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000330454978 386716232 /nfs/dbraw/zinc/71/62/32/386716232.db2.gz WOYXLIXCABFTAA-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO Cc1c(C[N@@H+]2CCO[C@@H](C)C2)cnn1C ZINC000268895705 386716276 /nfs/dbraw/zinc/71/62/76/386716276.db2.gz PCSYNGCYXRTIAO-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c(C[N@H+]2CCO[C@@H](C)C2)cnn1C ZINC000268895705 386716284 /nfs/dbraw/zinc/71/62/84/386716284.db2.gz PCSYNGCYXRTIAO-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1nnsc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000329608750 386716753 /nfs/dbraw/zinc/71/67/53/386716753.db2.gz CRILKKLNBLFTAQ-UHFFFAOYSA-N 1 2 249.299 0.699 20 0 BCADLO CO[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000330469865 386726030 /nfs/dbraw/zinc/72/60/30/386726030.db2.gz ZLQUHNHYTHFNRU-SECBINFHSA-N 1 2 225.292 0.504 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](CO)C2)on1 ZINC000647964613 386745617 /nfs/dbraw/zinc/74/56/17/386745617.db2.gz QQNLPMAPVBXQQU-VIFPVBQESA-N 1 2 224.260 0.691 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@H](CO)C2)on1 ZINC000647964613 386745623 /nfs/dbraw/zinc/74/56/23/386745623.db2.gz QQNLPMAPVBXQQU-VIFPVBQESA-N 1 2 224.260 0.691 20 0 BCADLO CS[C@H](CO)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000269156254 386758384 /nfs/dbraw/zinc/75/83/84/386758384.db2.gz NAXHAGALWXDEBJ-IMTBSYHQSA-N 1 2 243.332 0.560 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1nccc(CO)n1 ZINC000357327886 386762274 /nfs/dbraw/zinc/76/22/74/386762274.db2.gz VHBVDYZXPILKCT-SECBINFHSA-N 1 2 233.275 0.666 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330545508 386762259 /nfs/dbraw/zinc/76/22/59/386762259.db2.gz BXYJOXOFDIMTIY-HLTSFMKQSA-N 1 2 248.348 0.335 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330545508 386762265 /nfs/dbraw/zinc/76/22/65/386762265.db2.gz BXYJOXOFDIMTIY-HLTSFMKQSA-N 1 2 248.348 0.335 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nccc(C)n2)C1 ZINC000344852592 386763523 /nfs/dbraw/zinc/76/35/23/386763523.db2.gz YGAFMKLIEZUJMS-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nccc(C)n2)C1 ZINC000344852592 386763527 /nfs/dbraw/zinc/76/35/27/386763527.db2.gz YGAFMKLIEZUJMS-WDEREUQCSA-N 1 2 237.303 0.367 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC1(O)CCCC1 ZINC000280002425 386767433 /nfs/dbraw/zinc/76/74/33/386767433.db2.gz DIEDESZIUUODHU-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CCCC1 ZINC000280002425 386767437 /nfs/dbraw/zinc/76/74/37/386767437.db2.gz DIEDESZIUUODHU-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000293039400 386768042 /nfs/dbraw/zinc/76/80/42/386768042.db2.gz DWJMNYHIJKOHIG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000293039400 386768050 /nfs/dbraw/zinc/76/80/50/386768050.db2.gz DWJMNYHIJKOHIG-SECBINFHSA-N 1 2 238.291 0.641 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000293039402 386768127 /nfs/dbraw/zinc/76/81/27/386768127.db2.gz DWJMNYHIJKOHIG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000293039402 386768129 /nfs/dbraw/zinc/76/81/29/386768129.db2.gz DWJMNYHIJKOHIG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO CC[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000330557383 386768586 /nfs/dbraw/zinc/76/85/86/386768586.db2.gz ZTEJPDGLNYOMQI-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000330557383 386768591 /nfs/dbraw/zinc/76/85/91/386768591.db2.gz ZTEJPDGLNYOMQI-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408445100 386791632 /nfs/dbraw/zinc/79/16/32/386791632.db2.gz XNZINRNIZGIHLV-XHNCKOQMSA-N 1 2 241.291 0.291 20 0 BCADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408445100 386791640 /nfs/dbraw/zinc/79/16/40/386791640.db2.gz XNZINRNIZGIHLV-XHNCKOQMSA-N 1 2 241.291 0.291 20 0 BCADLO COC[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000330577157 386795892 /nfs/dbraw/zinc/79/58/92/386795892.db2.gz NJISGKXIFQIFPX-QMMMGPOBSA-N 1 2 211.265 0.319 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ncccc1F ZINC000426494667 386770709 /nfs/dbraw/zinc/77/07/09/386770709.db2.gz HHLHVPTUQMCSDV-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](O)C2)nn1 ZINC000191164062 386770974 /nfs/dbraw/zinc/77/09/74/386770974.db2.gz SIQANOONJUDCNO-LLVKDONJSA-N 1 2 238.335 0.990 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](O)C2)nn1 ZINC000191164062 386770982 /nfs/dbraw/zinc/77/09/82/386770982.db2.gz SIQANOONJUDCNO-LLVKDONJSA-N 1 2 238.335 0.990 20 0 BCADLO C[S@@](=O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000336665558 386771738 /nfs/dbraw/zinc/77/17/38/386771738.db2.gz VGUYHTOFNAVHOX-CQSZACIVSA-N 1 2 213.306 0.410 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)nn1C ZINC000330528148 386773418 /nfs/dbraw/zinc/77/34/18/386773418.db2.gz LMUNEGARUAPMMI-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000165143997 386774182 /nfs/dbraw/zinc/77/41/82/386774182.db2.gz ZDPVLJUCZNAPET-UWVGGRQHSA-N 1 2 225.292 0.549 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000165143751 386775296 /nfs/dbraw/zinc/77/52/96/386775296.db2.gz ZDPVLJUCZNAPET-VHSXEESVSA-N 1 2 225.292 0.549 20 0 BCADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000114470057 386776016 /nfs/dbraw/zinc/77/60/16/386776016.db2.gz NNSJLCMXSPADOQ-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000114470057 386776025 /nfs/dbraw/zinc/77/60/25/386776025.db2.gz NNSJLCMXSPADOQ-ZETCQYMHSA-N 1 2 240.225 0.074 20 0 BCADLO C[C@H]1C[N@H+](CCc2cncs2)CC(=O)N1 ZINC000334638377 386777569 /nfs/dbraw/zinc/77/75/69/386777569.db2.gz WUGZFUYOIVGFEL-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cncs2)CC(=O)N1 ZINC000334638377 386777575 /nfs/dbraw/zinc/77/75/75/386777575.db2.gz WUGZFUYOIVGFEL-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cncs2)CC(=O)N1 ZINC000334638375 386778190 /nfs/dbraw/zinc/77/81/90/386778190.db2.gz WUGZFUYOIVGFEL-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cncs2)CC(=O)N1 ZINC000334638375 386778194 /nfs/dbraw/zinc/77/81/94/386778194.db2.gz WUGZFUYOIVGFEL-MRVPVSSYSA-N 1 2 225.317 0.506 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H](C)O ZINC000336761306 386781002 /nfs/dbraw/zinc/78/10/02/386781002.db2.gz MRBXRMTVLILBTQ-HRDYMLBCSA-N 1 2 233.333 0.252 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCSC1)[C@H](C)O ZINC000336761308 386782049 /nfs/dbraw/zinc/78/20/49/386782049.db2.gz MRBXRMTVLILBTQ-XHNCKOQMSA-N 1 2 233.333 0.252 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccccc2)[nH]1 ZINC000293178507 386785943 /nfs/dbraw/zinc/78/59/43/386785943.db2.gz NSAMAFNRJWBQHH-NSHDSACASA-N 1 2 232.287 0.936 20 0 BCADLO O=C1NCCCC[C@@H]1[N@@H+]1CCc2cncnc2C1 ZINC000340837674 386786374 /nfs/dbraw/zinc/78/63/74/386786374.db2.gz HHIWOYKFLUFTEY-LBPRGKRZSA-N 1 2 246.314 0.503 20 0 BCADLO O=C1NCCCC[C@@H]1[N@H+]1CCc2cncnc2C1 ZINC000340837674 386786376 /nfs/dbraw/zinc/78/63/76/386786376.db2.gz HHIWOYKFLUFTEY-LBPRGKRZSA-N 1 2 246.314 0.503 20 0 BCADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000340834934 386786869 /nfs/dbraw/zinc/78/68/69/386786869.db2.gz OQTQRNVPHQZKEU-UHFFFAOYSA-N 1 2 240.307 0.900 20 0 BCADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCOCC1 ZINC000340834934 386786875 /nfs/dbraw/zinc/78/68/75/386786875.db2.gz OQTQRNVPHQZKEU-UHFFFAOYSA-N 1 2 240.307 0.900 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330563938 386788103 /nfs/dbraw/zinc/78/81/03/386788103.db2.gz KDANUKUSZLYGPT-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000280467627 386817305 /nfs/dbraw/zinc/81/73/05/386817305.db2.gz MOYIBXFSGPYKGR-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000280467627 386817315 /nfs/dbraw/zinc/81/73/15/386817315.db2.gz MOYIBXFSGPYKGR-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO COCCn1nnc2c1CC[N@H+](CC(F)F)C2 ZINC000645163914 386817991 /nfs/dbraw/zinc/81/79/91/386817991.db2.gz WYGJHRPQTDOJHP-UHFFFAOYSA-N 1 2 246.261 0.548 20 0 BCADLO COCCn1nnc2c1CC[N@@H+](CC(F)F)C2 ZINC000645163914 386817993 /nfs/dbraw/zinc/81/79/93/386817993.db2.gz WYGJHRPQTDOJHP-UHFFFAOYSA-N 1 2 246.261 0.548 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340972301 386818257 /nfs/dbraw/zinc/81/82/57/386818257.db2.gz LLZLEKAJEFVRJG-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340972301 386818263 /nfs/dbraw/zinc/81/82/63/386818263.db2.gz LLZLEKAJEFVRJG-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340972302 386819099 /nfs/dbraw/zinc/81/90/99/386819099.db2.gz LLZLEKAJEFVRJG-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340972302 386819100 /nfs/dbraw/zinc/81/91/00/386819100.db2.gz LLZLEKAJEFVRJG-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO COC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330625065 386822519 /nfs/dbraw/zinc/82/25/19/386822519.db2.gz SKUFFUQLHGYGFJ-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO COC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330625065 386822523 /nfs/dbraw/zinc/82/25/23/386822523.db2.gz SKUFFUQLHGYGFJ-WDEREUQCSA-N 1 2 244.335 0.106 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cnn1C ZINC000334771111 386822830 /nfs/dbraw/zinc/82/28/30/386822830.db2.gz QUEVTPUDVQOUAC-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H](F)C[C@H]2CO)cnn1C ZINC000334771111 386822835 /nfs/dbraw/zinc/82/28/35/386822835.db2.gz QUEVTPUDVQOUAC-QWRGUYRKSA-N 1 2 227.283 0.633 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330599434 386805018 /nfs/dbraw/zinc/80/50/18/386805018.db2.gz GHTDSCKNCVALRX-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@H](CNC(=O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC000280433953 386815292 /nfs/dbraw/zinc/81/52/92/386815292.db2.gz QFRPIQGSRDUGTH-SNVBAGLBSA-N 1 2 239.319 0.796 20 0 BCADLO CC(C)c1nc(N(C)CC(N)=O)cc[nH+]1 ZINC000301235446 386825294 /nfs/dbraw/zinc/82/52/94/386825294.db2.gz KDNCEWTXPKTEMV-UHFFFAOYSA-N 1 2 208.265 0.522 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@H]1C ZINC000330634828 386827318 /nfs/dbraw/zinc/82/73/18/386827318.db2.gz LVUCATPAYPTDCU-OUAUKWLOSA-N 1 2 237.303 0.813 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280660527 386831372 /nfs/dbraw/zinc/83/13/72/386831372.db2.gz AJVOCEGYEOKGNX-KOLCDFICSA-N 1 2 238.335 0.938 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)N1CCCCC1 ZINC000647939293 386832617 /nfs/dbraw/zinc/83/26/17/386832617.db2.gz JAYYAKZFWPKSQP-UHFFFAOYSA-N 1 2 248.330 0.711 20 0 BCADLO Cc1cc(N(C)C[C@H](O)C2CC2)nc[nH+]1 ZINC000301548708 386853986 /nfs/dbraw/zinc/85/39/86/386853986.db2.gz PWYVNOBDDRDOHC-JTQLQIEISA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cnc(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000330204392 386836350 /nfs/dbraw/zinc/83/63/50/386836350.db2.gz BPCZJORJXYJCQD-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)C[C@@H]1C ZINC000334781601 386838346 /nfs/dbraw/zinc/83/83/46/386838346.db2.gz DWDMKDRTYXNSHC-UWVGGRQHSA-N 1 2 235.287 0.799 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000518852967 386839813 /nfs/dbraw/zinc/83/98/13/386839813.db2.gz QWTIYRKBEFMRIS-BDAKNGLRSA-N 1 2 225.292 0.502 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)O ZINC000249592221 386840488 /nfs/dbraw/zinc/84/04/88/386840488.db2.gz PHQHAFRAYPAJLM-MFKMUULPSA-N 1 2 249.310 0.967 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)O ZINC000249592221 386840492 /nfs/dbraw/zinc/84/04/92/386840492.db2.gz PHQHAFRAYPAJLM-MFKMUULPSA-N 1 2 249.310 0.967 20 0 BCADLO COC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000357780806 386842001 /nfs/dbraw/zinc/84/20/01/386842001.db2.gz JWODSZYTEQGVOF-QMMMGPOBSA-N 1 2 236.275 0.686 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cccnc1C ZINC000645175367 386843860 /nfs/dbraw/zinc/84/38/60/386843860.db2.gz XCFMFRRXZPYJOQ-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cccnc1C ZINC000645175367 386843864 /nfs/dbraw/zinc/84/38/64/386843864.db2.gz XCFMFRRXZPYJOQ-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO C[C@@H]1[C@H](C)N(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000341134796 386845643 /nfs/dbraw/zinc/84/56/43/386845643.db2.gz YETQOLBDGGOQJT-SFYZADRCSA-N 1 2 225.296 0.035 20 0 BCADLO C[C@@H]1[C@H](C)N(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000341134796 386845650 /nfs/dbraw/zinc/84/56/50/386845650.db2.gz YETQOLBDGGOQJT-SFYZADRCSA-N 1 2 225.296 0.035 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC1(CO)CCC1 ZINC000331382918 386847186 /nfs/dbraw/zinc/84/71/86/386847186.db2.gz NPUBHIMPPSPQKG-UHFFFAOYSA-N 1 2 237.303 0.621 20 0 BCADLO Cn1nnnc1C[NH+]1CCC(CCCO)CC1 ZINC000330805529 386893711 /nfs/dbraw/zinc/89/37/11/386893711.db2.gz LWCUQMOPKKZIGV-UHFFFAOYSA-N 1 2 239.323 0.195 20 0 BCADLO CNC(=O)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000334790661 386855820 /nfs/dbraw/zinc/85/58/20/386855820.db2.gz DTAPXGZKRGEKEZ-UHFFFAOYSA-N 1 2 246.270 0.152 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)CSC)C1CC1 ZINC000336745088 386894133 /nfs/dbraw/zinc/89/41/33/386894133.db2.gz AEVVLCVQZMPSFG-DTWKUNHWSA-N 1 2 233.333 0.252 20 0 BCADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H](C)CO ZINC000293706872 386863864 /nfs/dbraw/zinc/86/38/64/386863864.db2.gz RFQWJCMLQUTRSA-MRVPVSSYSA-N 1 2 225.292 0.490 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330809581 386894465 /nfs/dbraw/zinc/89/44/65/386894465.db2.gz BFIHUVBXYONEED-NXEZZACHSA-N 1 2 246.376 0.311 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330809581 386894470 /nfs/dbraw/zinc/89/44/70/386894470.db2.gz BFIHUVBXYONEED-NXEZZACHSA-N 1 2 246.376 0.311 20 0 BCADLO CCCCN1CC(=O)N[C@H]1c1[nH+]cc(C)n1C ZINC000341279447 386876722 /nfs/dbraw/zinc/87/67/22/386876722.db2.gz JRBRXVCZAKSUNZ-GFCCVEGCSA-N 1 2 236.319 0.959 20 0 BCADLO COC[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301773801 386878082 /nfs/dbraw/zinc/87/80/82/386878082.db2.gz KJYYXSKWACOKBS-MRVPVSSYSA-N 1 2 248.286 0.631 20 0 BCADLO COC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000330759021 386879551 /nfs/dbraw/zinc/87/95/51/386879551.db2.gz JXTACLFAPDUZCN-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331675685 386881066 /nfs/dbraw/zinc/88/10/66/386881066.db2.gz SROXZUNWIRNDSO-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO C[C@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331675685 386881069 /nfs/dbraw/zinc/88/10/69/386881069.db2.gz SROXZUNWIRNDSO-JTQLQIEISA-N 1 2 226.280 0.247 20 0 BCADLO CC(=O)CCC(=O)NC1C[NH+](C(C)C)C1 ZINC000341336131 386883686 /nfs/dbraw/zinc/88/36/86/386883686.db2.gz AHRRQQPHMGGGKH-UHFFFAOYSA-N 1 2 212.293 0.564 20 0 BCADLO C[C@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1(F)F ZINC000331704193 386883881 /nfs/dbraw/zinc/88/38/81/386883881.db2.gz XPZWETLGJZZLOU-POYBYMJQSA-N 1 2 229.230 0.970 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc(C)on1 ZINC000330733696 386885894 /nfs/dbraw/zinc/88/58/94/386885894.db2.gz KVNOKYVSKOZTKY-NSHDSACASA-N 1 2 242.275 0.339 20 0 BCADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc(C)on1 ZINC000330733696 386885899 /nfs/dbraw/zinc/88/58/99/386885899.db2.gz KVNOKYVSKOZTKY-NSHDSACASA-N 1 2 242.275 0.339 20 0 BCADLO Cc1nnc(N(C)Cc2[nH+]ccn2C)o1 ZINC000341342470 386886011 /nfs/dbraw/zinc/88/60/11/386886011.db2.gz HGZZZDROXXBOHQ-UHFFFAOYSA-N 1 2 207.237 0.748 20 0 BCADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC(O)C1 ZINC000301899193 386889930 /nfs/dbraw/zinc/88/99/30/386889930.db2.gz SYDWKDQEZHBHCB-UHFFFAOYSA-N 1 2 247.302 0.762 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334859973 386913624 /nfs/dbraw/zinc/91/36/24/386913624.db2.gz RNYHWNWDFBCXFS-SNVBAGLBSA-N 1 2 227.283 0.899 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000334859973 386913626 /nfs/dbraw/zinc/91/36/26/386913626.db2.gz RNYHWNWDFBCXFS-SNVBAGLBSA-N 1 2 227.283 0.899 20 0 BCADLO CC(C)(O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000330782594 386901597 /nfs/dbraw/zinc/90/15/97/386901597.db2.gz PSBTXMCSFSFMDR-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO Cc1cncc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000302109215 386903344 /nfs/dbraw/zinc/90/33/44/386903344.db2.gz OTGOPGPOUOKYPJ-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCOC1 ZINC000358173285 386907660 /nfs/dbraw/zinc/90/76/60/386907660.db2.gz VSRFCVGSHNIXMX-GFCCVEGCSA-N 1 2 235.287 0.652 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000335773249 386921534 /nfs/dbraw/zinc/92/15/34/386921534.db2.gz QZHAHSRYAPBYAY-LBPRGKRZSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000335773249 386921540 /nfs/dbraw/zinc/92/15/40/386921540.db2.gz QZHAHSRYAPBYAY-LBPRGKRZSA-N 1 2 226.320 0.720 20 0 BCADLO CN(C)c1noc(C[NH2+][C@H]2COC(C)(C)C2)n1 ZINC000418014085 386922759 /nfs/dbraw/zinc/92/27/59/386922759.db2.gz UDZIYPNCVYCELW-MRVPVSSYSA-N 1 2 240.307 0.793 20 0 BCADLO C[C@@H](CCO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330950876 386927268 /nfs/dbraw/zinc/92/72/68/386927268.db2.gz DKCFECCJWXYYDX-QMMMGPOBSA-N 1 2 225.292 0.574 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330949312 386928369 /nfs/dbraw/zinc/92/83/69/386928369.db2.gz JJQYLLKPMONNHL-SECBINFHSA-N 1 2 239.319 0.820 20 0 BCADLO COC(=O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330953691 386928630 /nfs/dbraw/zinc/92/86/30/386928630.db2.gz LUBZRPCWWQAJJI-ZETCQYMHSA-N 1 2 237.259 0.119 20 0 BCADLO COC(=O)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330953691 386928632 /nfs/dbraw/zinc/92/86/32/386928632.db2.gz LUBZRPCWWQAJJI-ZETCQYMHSA-N 1 2 237.259 0.119 20 0 BCADLO Cc1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000331963988 386933027 /nfs/dbraw/zinc/93/30/27/386933027.db2.gz KSMAXGXCNLDMLA-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000331963988 386933028 /nfs/dbraw/zinc/93/30/28/386933028.db2.gz KSMAXGXCNLDMLA-UHFFFAOYSA-N 1 2 211.265 0.725 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331986708 386936252 /nfs/dbraw/zinc/93/62/52/386936252.db2.gz GMQMCFLQAQMYQU-DTWKUNHWSA-N 1 2 237.259 0.225 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331986708 386936259 /nfs/dbraw/zinc/93/62/59/386936259.db2.gz GMQMCFLQAQMYQU-DTWKUNHWSA-N 1 2 237.259 0.225 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331990947 386936574 /nfs/dbraw/zinc/93/65/74/386936574.db2.gz YWRBBVODFQCZIA-DTWKUNHWSA-N 1 2 209.249 0.451 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331990947 386936579 /nfs/dbraw/zinc/93/65/79/386936579.db2.gz YWRBBVODFQCZIA-DTWKUNHWSA-N 1 2 209.249 0.451 20 0 BCADLO COC1(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000648415970 386937518 /nfs/dbraw/zinc/93/75/18/386937518.db2.gz YUPYOIUTRDPHSE-UHFFFAOYSA-N 1 2 223.276 0.258 20 0 BCADLO C[C@]1(F)CC[N@H+](CC(=O)NC2CC2)C1 ZINC000334816693 386943560 /nfs/dbraw/zinc/94/35/60/386943560.db2.gz WKDWMBMJLZNUBK-JTQLQIEISA-N 1 2 200.257 0.699 20 0 BCADLO C[C@]1(F)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000334816693 386943562 /nfs/dbraw/zinc/94/35/62/386943562.db2.gz WKDWMBMJLZNUBK-JTQLQIEISA-N 1 2 200.257 0.699 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NC2CC2)C1 ZINC000334816694 386943755 /nfs/dbraw/zinc/94/37/55/386943755.db2.gz WKDWMBMJLZNUBK-SNVBAGLBSA-N 1 2 200.257 0.699 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000334816694 386943761 /nfs/dbraw/zinc/94/37/61/386943761.db2.gz WKDWMBMJLZNUBK-SNVBAGLBSA-N 1 2 200.257 0.699 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334817425 386945132 /nfs/dbraw/zinc/94/51/32/386945132.db2.gz FDPNXTKHOIHQFL-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334817425 386945138 /nfs/dbraw/zinc/94/51/38/386945138.db2.gz FDPNXTKHOIHQFL-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352901218 386954816 /nfs/dbraw/zinc/95/48/16/386954816.db2.gz POOMXWVIDIEWQR-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](CF)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352901218 386954819 /nfs/dbraw/zinc/95/48/19/386954819.db2.gz POOMXWVIDIEWQR-UWVGGRQHSA-N 1 2 247.314 0.364 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332067483 386955973 /nfs/dbraw/zinc/95/59/73/386955973.db2.gz SYUFCRCRNFBVDH-UHFFFAOYSA-N 1 2 227.308 0.854 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000332067483 386955976 /nfs/dbraw/zinc/95/59/76/386955976.db2.gz SYUFCRCRNFBVDH-UHFFFAOYSA-N 1 2 227.308 0.854 20 0 BCADLO CC(=O)NCCCNc1[nH+]cnc2c1cnn2C ZINC000029530790 386956169 /nfs/dbraw/zinc/95/61/69/386956169.db2.gz VBFSXRLDKOVCAK-UHFFFAOYSA-N 1 2 248.290 0.301 20 0 BCADLO CC(=O)NC1C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000332077407 386958979 /nfs/dbraw/zinc/95/89/79/386958979.db2.gz XNHPDAYFEJNTHB-MRVPVSSYSA-N 1 2 240.225 0.120 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368327769 386960274 /nfs/dbraw/zinc/96/02/74/386960274.db2.gz HBMAMWLDTKRALA-AEJSXWLSSA-N 1 2 211.261 0.413 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368327769 386960278 /nfs/dbraw/zinc/96/02/78/386960278.db2.gz HBMAMWLDTKRALA-AEJSXWLSSA-N 1 2 211.261 0.413 20 0 BCADLO C(CN1CCO[C@H]2C[C@H]21)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368323175 386960694 /nfs/dbraw/zinc/96/06/94/386960694.db2.gz XZHLTBNAZZVYIS-FNFFVJSTSA-N 1 2 238.331 0.323 20 0 BCADLO C(CN1CCO[C@H]2C[C@H]21)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368323175 386960700 /nfs/dbraw/zinc/96/07/00/386960700.db2.gz XZHLTBNAZZVYIS-FNFFVJSTSA-N 1 2 238.331 0.323 20 0 BCADLO C(CN1CCO[C@@H]2C[C@@H]21)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368323175 386960705 /nfs/dbraw/zinc/96/07/05/386960705.db2.gz XZHLTBNAZZVYIS-FNFFVJSTSA-N 1 2 238.331 0.323 20 0 BCADLO C(CN1CCO[C@@H]2C[C@@H]21)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368323175 386960708 /nfs/dbraw/zinc/96/07/08/386960708.db2.gz XZHLTBNAZZVYIS-FNFFVJSTSA-N 1 2 238.331 0.323 20 0 BCADLO CCCN1CC(=O)N[C@H]1c1c[nH+]cn1C ZINC000639425392 386961618 /nfs/dbraw/zinc/96/16/18/386961618.db2.gz XTENVUJWGCGDPR-SNVBAGLBSA-N 1 2 208.265 0.261 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)cn1 ZINC000368377487 386966747 /nfs/dbraw/zinc/96/67/47/386966747.db2.gz QIGJCMVNOJCDMR-GHMZBOCLSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)cn1 ZINC000368377487 386966749 /nfs/dbraw/zinc/96/67/49/386966749.db2.gz QIGJCMVNOJCDMR-GHMZBOCLSA-N 1 2 235.287 0.558 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000358505099 386968291 /nfs/dbraw/zinc/96/82/91/386968291.db2.gz GWUIHFAAVVZHJC-QMMMGPOBSA-N 1 2 213.306 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000358505099 386968294 /nfs/dbraw/zinc/96/82/94/386968294.db2.gz GWUIHFAAVVZHJC-QMMMGPOBSA-N 1 2 213.306 0.803 20 0 BCADLO COC(C)(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000331140816 386970461 /nfs/dbraw/zinc/97/04/61/386970461.db2.gz FICYMCLYDAALGM-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)no1 ZINC000330334533 386972125 /nfs/dbraw/zinc/97/21/25/386972125.db2.gz YSDCYTXPZXISJX-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(F)(F)CN2)cc[nH+]1 ZINC000334899520 386972201 /nfs/dbraw/zinc/97/22/01/386972201.db2.gz BEDQJQLZTWOEPT-VIFPVBQESA-N 1 2 241.241 0.748 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nccn1C ZINC000331146580 386972553 /nfs/dbraw/zinc/97/25/53/386972553.db2.gz GWVRZXRBBACCRR-WDEREUQCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nccn1C ZINC000331146580 386972555 /nfs/dbraw/zinc/97/25/55/386972555.db2.gz GWVRZXRBBACCRR-WDEREUQCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334904006 386978107 /nfs/dbraw/zinc/97/81/07/386978107.db2.gz ZZTXCMQXTYVUPI-GXSJLCMTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334904006 386978112 /nfs/dbraw/zinc/97/81/12/386978112.db2.gz ZZTXCMQXTYVUPI-GXSJLCMTSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H](O)C[N@H+](Cc1ncccn1)[C@@H](C)CO ZINC000331159816 386978444 /nfs/dbraw/zinc/97/84/44/386978444.db2.gz KEIKULMEBIUBDZ-UWVGGRQHSA-N 1 2 225.292 0.040 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1ncccn1)[C@@H](C)CO ZINC000331159816 386978448 /nfs/dbraw/zinc/97/84/48/386978448.db2.gz KEIKULMEBIUBDZ-UWVGGRQHSA-N 1 2 225.292 0.040 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)o1 ZINC000331172489 386980058 /nfs/dbraw/zinc/98/00/58/386980058.db2.gz OJWZXUHMOOOXJF-MNOVXSKESA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cnc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)o1 ZINC000331172489 386980064 /nfs/dbraw/zinc/98/00/64/386980064.db2.gz OJWZXUHMOOOXJF-MNOVXSKESA-N 1 2 240.303 0.955 20 0 BCADLO CC(=O)NC[C@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528386446 386988099 /nfs/dbraw/zinc/98/80/99/386988099.db2.gz ICMYDRPIZZWVEE-BWLWAFFFSA-N 1 2 246.738 0.966 20 0 BCADLO CC(=O)NC[C@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528386446 386988102 /nfs/dbraw/zinc/98/81/02/386988102.db2.gz ICMYDRPIZZWVEE-BWLWAFFFSA-N 1 2 246.738 0.966 20 0 BCADLO Cc1nnc(CN2CC[NH+](C)CC2)s1 ZINC000358622133 386989607 /nfs/dbraw/zinc/98/96/07/386989607.db2.gz CBNIENHUUKBFML-UHFFFAOYSA-N 1 2 212.322 0.594 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353011450 386990828 /nfs/dbraw/zinc/99/08/28/386990828.db2.gz ZGTOWDRMXOHBRA-SSDOTTSWSA-N 1 2 223.219 0.721 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353011450 386990832 /nfs/dbraw/zinc/99/08/32/386990832.db2.gz ZGTOWDRMXOHBRA-SSDOTTSWSA-N 1 2 223.219 0.721 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C(N)=O ZINC000332642161 386994622 /nfs/dbraw/zinc/99/46/22/386994622.db2.gz AZOAEALTEGYZFD-SFYZADRCSA-N 1 2 226.255 0.868 20 0 BCADLO CCOc1nnc(C[N@@H+]2CC[C@@H](CO)C2)s1 ZINC000332708564 387004221 /nfs/dbraw/zinc/00/42/21/387004221.db2.gz OLJXKFXLRHNMHI-MRVPVSSYSA-N 1 2 243.332 0.751 20 0 BCADLO CCOc1nnc(C[N@H+]2CC[C@@H](CO)C2)s1 ZINC000332708564 387004226 /nfs/dbraw/zinc/00/42/26/387004226.db2.gz OLJXKFXLRHNMHI-MRVPVSSYSA-N 1 2 243.332 0.751 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000332738815 387006554 /nfs/dbraw/zinc/00/65/54/387006554.db2.gz XZAZHAUIOGQIBE-VIFPVBQESA-N 1 2 239.323 0.649 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000332738815 387006556 /nfs/dbraw/zinc/00/65/56/387006556.db2.gz XZAZHAUIOGQIBE-VIFPVBQESA-N 1 2 239.323 0.649 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000331045172 386948431 /nfs/dbraw/zinc/94/84/31/386948431.db2.gz HKLOIXKRGIHZFG-GMTAPVOTSA-N 1 2 237.303 0.955 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)C[C@]2(CCOC2)O1 ZINC000369169033 387031409 /nfs/dbraw/zinc/03/14/09/387031409.db2.gz XOHJAASDTTVCRB-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)C[C@]2(CCOC2)O1 ZINC000369169033 387031413 /nfs/dbraw/zinc/03/14/13/387031413.db2.gz XOHJAASDTTVCRB-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO c1cn([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)nn1 ZINC000333392765 387033129 /nfs/dbraw/zinc/03/31/29/387033129.db2.gz DGMNUPXNJKHORC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)nn1 ZINC000333392765 387033131 /nfs/dbraw/zinc/03/31/31/387033131.db2.gz DGMNUPXNJKHORC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CCCF ZINC000330559054 387038814 /nfs/dbraw/zinc/03/88/14/387038814.db2.gz GWEGOTNHNQKDAR-UHFFFAOYSA-N 1 2 249.311 0.541 20 0 BCADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC=C(F)C2)C1=O ZINC000333654818 387047595 /nfs/dbraw/zinc/04/75/95/387047595.db2.gz VKRSCYORIHIBRH-QMMMGPOBSA-N 1 2 241.266 0.486 20 0 BCADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCC=C(F)C2)C1=O ZINC000333654818 387047600 /nfs/dbraw/zinc/04/76/00/387047600.db2.gz VKRSCYORIHIBRH-QMMMGPOBSA-N 1 2 241.266 0.486 20 0 BCADLO CC[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000359097453 387055188 /nfs/dbraw/zinc/05/51/88/387055188.db2.gz YMCFJCWSQTXZNP-VXGBXAGGSA-N 1 2 241.379 0.785 20 0 BCADLO C[C@H]1[C@H](C(=O)NCCn2cc[nH+]c2)C1(F)F ZINC000359100750 387055983 /nfs/dbraw/zinc/05/59/83/387055983.db2.gz JBIXILFDNZQQPT-JGVFFNPUSA-N 1 2 229.230 0.901 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH+]c[nH]2)[nH]n1 ZINC000359140090 387059062 /nfs/dbraw/zinc/05/90/62/387059062.db2.gz XBBSTNROKWOURV-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO CCc1cc(C(=O)NCc2c[nH]c[nH+]2)[nH]n1 ZINC000359140090 387059066 /nfs/dbraw/zinc/05/90/66/387059066.db2.gz XBBSTNROKWOURV-UHFFFAOYSA-N 1 2 219.248 0.625 20 0 BCADLO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000104778675 387010456 /nfs/dbraw/zinc/01/04/56/387010456.db2.gz ZBYZMUWUYPGKCW-KOLCDFICSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000104778675 387010463 /nfs/dbraw/zinc/01/04/63/387010463.db2.gz ZBYZMUWUYPGKCW-KOLCDFICSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@H]1C[C@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000334934213 387010922 /nfs/dbraw/zinc/01/09/22/387010922.db2.gz HWBOUUIKIVOQOB-YUMQZZPRSA-N 1 2 203.307 0.371 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)n1 ZINC000341994011 387012274 /nfs/dbraw/zinc/01/22/74/387012274.db2.gz RRYZIXSJOFISHT-LLVKDONJSA-N 1 2 237.307 0.213 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@]3(C2)CCCOC3)n1 ZINC000341994011 387012279 /nfs/dbraw/zinc/01/22/79/387012279.db2.gz RRYZIXSJOFISHT-LLVKDONJSA-N 1 2 237.307 0.213 20 0 BCADLO C[N@H+](CCO)Cc1nnc2n1CCCCC2 ZINC000368838712 387015066 /nfs/dbraw/zinc/01/50/66/387015066.db2.gz NIHAJVRKSBYQDB-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO C[N@@H+](CCO)Cc1nnc2n1CCCCC2 ZINC000368838712 387015070 /nfs/dbraw/zinc/01/50/70/387015070.db2.gz NIHAJVRKSBYQDB-UHFFFAOYSA-N 1 2 224.308 0.429 20 0 BCADLO CC[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000333260445 387025677 /nfs/dbraw/zinc/02/56/77/387025677.db2.gz FPQCMKXTOLICKQ-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000333260445 387025681 /nfs/dbraw/zinc/02/56/81/387025681.db2.gz FPQCMKXTOLICKQ-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO COCc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000305868905 387069208 /nfs/dbraw/zinc/06/92/08/387069208.db2.gz ZRRRXJAARLMCDV-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000305868905 387069214 /nfs/dbraw/zinc/06/92/14/387069214.db2.gz ZRRRXJAARLMCDV-MRVPVSSYSA-N 1 2 227.264 0.173 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188702052 387083088 /nfs/dbraw/zinc/08/30/88/387083088.db2.gz VWGHVGUPXJTTMB-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188702052 387083093 /nfs/dbraw/zinc/08/30/93/387083093.db2.gz VWGHVGUPXJTTMB-NXEZZACHSA-N 1 2 246.376 0.263 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000066563163 387086801 /nfs/dbraw/zinc/08/68/01/387086801.db2.gz VSPFATJRSGRSKB-SNVBAGLBSA-N 1 2 241.335 0.243 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000066563163 387086806 /nfs/dbraw/zinc/08/68/06/387086806.db2.gz VSPFATJRSGRSKB-SNVBAGLBSA-N 1 2 241.335 0.243 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC[C@@H]2CCOC2)C1 ZINC000418074612 387087855 /nfs/dbraw/zinc/08/78/55/387087855.db2.gz NVFIDUHXHQAWNU-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259802 387090163 /nfs/dbraw/zinc/09/01/63/387090163.db2.gz UPGHFJRVFMCPOO-SFYZADRCSA-N 1 2 243.282 0.407 20 0 BCADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](F)C1 ZINC000336259802 387090169 /nfs/dbraw/zinc/09/01/69/387090169.db2.gz UPGHFJRVFMCPOO-SFYZADRCSA-N 1 2 243.282 0.407 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066831940 387091499 /nfs/dbraw/zinc/09/14/99/387091499.db2.gz DOUQSLSEYREUFJ-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066831940 387091503 /nfs/dbraw/zinc/09/15/03/387091503.db2.gz DOUQSLSEYREUFJ-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO Cc1cnn(C2CN(Cc3c[nH+]cn3C)C2)c1 ZINC000370235217 387096940 /nfs/dbraw/zinc/09/69/40/387096940.db2.gz DFPJAKLXESTBCZ-UHFFFAOYSA-N 1 2 231.303 0.982 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000188815749 387103935 /nfs/dbraw/zinc/10/39/35/387103935.db2.gz PBEOXXALSMPNML-SNVBAGLBSA-N 1 2 243.332 0.775 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000188815749 387103942 /nfs/dbraw/zinc/10/39/42/387103942.db2.gz PBEOXXALSMPNML-SNVBAGLBSA-N 1 2 243.332 0.775 20 0 BCADLO Cn1cnnc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000188802979 387104682 /nfs/dbraw/zinc/10/46/82/387104682.db2.gz IKVZZWXFYFYASF-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ncn1 ZINC000068806767 387107753 /nfs/dbraw/zinc/10/77/53/387107753.db2.gz XOAPWZLAYSAJCK-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ncn1 ZINC000068806767 387107754 /nfs/dbraw/zinc/10/77/54/387107754.db2.gz XOAPWZLAYSAJCK-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000370281004 387107990 /nfs/dbraw/zinc/10/79/90/387107990.db2.gz KELJSYFHFDFGMW-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000370281004 387107993 /nfs/dbraw/zinc/10/79/93/387107993.db2.gz KELJSYFHFDFGMW-PHIMTYICSA-N 1 2 242.319 0.002 20 0 BCADLO CCOc1cccc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000119218917 387112107 /nfs/dbraw/zinc/11/21/07/387112107.db2.gz XOCIFCFEFRCVHD-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO CCOc1cccc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000119218917 387112109 /nfs/dbraw/zinc/11/21/09/387112109.db2.gz XOCIFCFEFRCVHD-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333972337 387118802 /nfs/dbraw/zinc/11/88/02/387118802.db2.gz XAOUOOKFZPYDQL-DJLDLDEBSA-N 1 2 246.266 0.763 20 0 BCADLO CO[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000336285594 387120299 /nfs/dbraw/zinc/12/02/99/387120299.db2.gz HEDNVRUGHJLKEK-LLVKDONJSA-N 1 2 237.303 0.896 20 0 BCADLO Cn1c[nH+]cc1CN1CCN2C(=O)OC[C@H]2C1 ZINC000370547846 387124847 /nfs/dbraw/zinc/12/48/47/387124847.db2.gz RZYDMGAQARZMDF-SNVBAGLBSA-N 1 2 236.275 0.057 20 0 BCADLO FC(F)COCC[NH2+]Cc1csnn1 ZINC000189006588 387126568 /nfs/dbraw/zinc/12/65/68/387126568.db2.gz IMFXICWLEJDAHC-UHFFFAOYSA-N 1 2 223.248 0.909 20 0 BCADLO CN(C)c1ncccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359685642 387145731 /nfs/dbraw/zinc/14/57/31/387145731.db2.gz UMHPQFYUKXUGBK-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1ncccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359685642 387145738 /nfs/dbraw/zinc/14/57/38/387145738.db2.gz UMHPQFYUKXUGBK-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](C)CCC(N)=O ZINC000353169198 387148306 /nfs/dbraw/zinc/14/83/06/387148306.db2.gz DZMYHDQKPMTJGK-UHFFFAOYSA-N 1 2 239.323 0.304 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](C)CCC(N)=O ZINC000353169198 387148311 /nfs/dbraw/zinc/14/83/11/387148311.db2.gz DZMYHDQKPMTJGK-UHFFFAOYSA-N 1 2 239.323 0.304 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(C)n1 ZINC000186899100 387150977 /nfs/dbraw/zinc/15/09/77/387150977.db2.gz OHYVTRKXTDCZPT-LBPRGKRZSA-N 1 2 249.314 0.385 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(C)n1 ZINC000186899100 387150979 /nfs/dbraw/zinc/15/09/79/387150979.db2.gz OHYVTRKXTDCZPT-LBPRGKRZSA-N 1 2 249.314 0.385 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1ccncc1 ZINC000187008089 387153861 /nfs/dbraw/zinc/15/38/61/387153861.db2.gz ITMXZJHPWPFTKC-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1ccncc1 ZINC000187008089 387153866 /nfs/dbraw/zinc/15/38/66/387153866.db2.gz ITMXZJHPWPFTKC-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C[C@H]1F ZINC000424587382 387192990 /nfs/dbraw/zinc/19/29/90/387192990.db2.gz UGEKNSZAXYZPEZ-SCZZXKLOSA-N 1 2 211.240 0.747 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000353387654 387193112 /nfs/dbraw/zinc/19/31/12/387193112.db2.gz ZGGHAQXFXXHLSN-VIFPVBQESA-N 1 2 211.265 0.697 20 0 BCADLO CO[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000353387654 387193116 /nfs/dbraw/zinc/19/31/16/387193116.db2.gz ZGGHAQXFXXHLSN-VIFPVBQESA-N 1 2 211.265 0.697 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCCC(C)(C)C1 ZINC000353271317 387168825 /nfs/dbraw/zinc/16/88/25/387168825.db2.gz GRRJVFMKOJNCCH-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cn1nnnc1C[N@H+]1CCCC(C)(C)C1 ZINC000353271317 387168827 /nfs/dbraw/zinc/16/88/27/387168827.db2.gz GRRJVFMKOJNCCH-UHFFFAOYSA-N 1 2 209.297 0.832 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)no1 ZINC000371200007 387172392 /nfs/dbraw/zinc/17/23/92/387172392.db2.gz XRNQTZTXPQJSHC-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)no1 ZINC000371200007 387172393 /nfs/dbraw/zinc/17/23/93/387172393.db2.gz XRNQTZTXPQJSHC-MRVPVSSYSA-N 1 2 223.276 0.693 20 0 BCADLO FC(F)C[C@H]1COCC[N@@H+]1CCn1cncn1 ZINC000353292077 387172889 /nfs/dbraw/zinc/17/28/89/387172889.db2.gz YNAJZEBVMFKMMK-VIFPVBQESA-N 1 2 246.261 0.634 20 0 BCADLO FC(F)C[C@H]1COCC[N@H+]1CCn1cncn1 ZINC000353292077 387172894 /nfs/dbraw/zinc/17/28/94/387172894.db2.gz YNAJZEBVMFKMMK-VIFPVBQESA-N 1 2 246.261 0.634 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](CO)C1CC1 ZINC000353295847 387174370 /nfs/dbraw/zinc/17/43/70/387174370.db2.gz WKQZEBPMIFUAPP-LLVKDONJSA-N 1 2 249.314 0.952 20 0 BCADLO COC1(C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000336355332 387185067 /nfs/dbraw/zinc/18/50/67/387185067.db2.gz DVIDBVROXSXABP-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO C[C@@H](CNC(=O)COC(F)F)Cn1cc[nH+]c1 ZINC000353371202 387189726 /nfs/dbraw/zinc/18/97/26/387189726.db2.gz RSNYJLIHSPJDRC-QMMMGPOBSA-N 1 2 247.245 0.875 20 0 BCADLO CO[C@H](C[NH2+]CC(F)(F)CO)C1CC1 ZINC000400240572 387139563 /nfs/dbraw/zinc/13/95/63/387139563.db2.gz GCEFUIFYNMNVOM-MRVPVSSYSA-N 1 2 209.236 0.629 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336311986 387139903 /nfs/dbraw/zinc/13/99/03/387139903.db2.gz OBNXGPZCWIWYGA-AOOOYVTPSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336311986 387139907 /nfs/dbraw/zinc/13/99/07/387139907.db2.gz OBNXGPZCWIWYGA-AOOOYVTPSA-N 1 2 226.320 0.764 20 0 BCADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cn[nH]c1 ZINC000229956185 387208439 /nfs/dbraw/zinc/20/84/39/387208439.db2.gz AOVXYGHVLAHZKV-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO Cc1nnsc1C[N@@H+](C)CC(C)(CO)CO ZINC000571962358 387208971 /nfs/dbraw/zinc/20/89/71/387208971.db2.gz SJWDMMBXVWEKET-UHFFFAOYSA-N 1 2 245.348 0.269 20 0 BCADLO Cc1nnsc1C[N@H+](C)CC(C)(CO)CO ZINC000571962358 387208978 /nfs/dbraw/zinc/20/89/78/387208978.db2.gz SJWDMMBXVWEKET-UHFFFAOYSA-N 1 2 245.348 0.269 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC(=O)C1 ZINC000371442424 387214033 /nfs/dbraw/zinc/21/40/33/387214033.db2.gz IJGZSZBMEJBVDK-MRVPVSSYSA-N 1 2 233.271 0.362 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC(=O)C1 ZINC000371442424 387214036 /nfs/dbraw/zinc/21/40/36/387214036.db2.gz IJGZSZBMEJBVDK-MRVPVSSYSA-N 1 2 233.271 0.362 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000120288861 387220426 /nfs/dbraw/zinc/22/04/26/387220426.db2.gz GVALRUVUXITWTI-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+](C)CC(=O)NC(C)C ZINC000120288861 387220431 /nfs/dbraw/zinc/22/04/31/387220431.db2.gz GVALRUVUXITWTI-UHFFFAOYSA-N 1 2 238.335 0.983 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000230013002 387226495 /nfs/dbraw/zinc/22/64/95/387226495.db2.gz GAGGDAICHVAMEL-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000230013002 387226502 /nfs/dbraw/zinc/22/65/02/387226502.db2.gz GAGGDAICHVAMEL-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000230016070 387227496 /nfs/dbraw/zinc/22/74/96/387227496.db2.gz NTPKIYWTUGENML-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000230016070 387227503 /nfs/dbraw/zinc/22/75/03/387227503.db2.gz NTPKIYWTUGENML-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000284819561 387229521 /nfs/dbraw/zinc/22/95/21/387229521.db2.gz ANMYIMZPBXRDQX-SSDOTTSWSA-N 1 2 226.280 0.354 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000284819561 387229530 /nfs/dbraw/zinc/22/95/30/387229530.db2.gz ANMYIMZPBXRDQX-SSDOTTSWSA-N 1 2 226.280 0.354 20 0 BCADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)n1cccn1 ZINC000424662165 387240091 /nfs/dbraw/zinc/24/00/91/387240091.db2.gz IZTKQRXITUJHJN-VIFPVBQESA-N 1 2 233.275 0.874 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)CC ZINC000360251997 387250704 /nfs/dbraw/zinc/25/07/04/387250704.db2.gz UVPPKLBGBKMKEI-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)CC ZINC000360251997 387250709 /nfs/dbraw/zinc/25/07/09/387250709.db2.gz UVPPKLBGBKMKEI-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000336420474 387251239 /nfs/dbraw/zinc/25/12/39/387251239.db2.gz URYJAMFHUUWGLS-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000336420474 387251245 /nfs/dbraw/zinc/25/12/45/387251245.db2.gz URYJAMFHUUWGLS-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1F)[NH+]1CCOCC1 ZINC000424585255 387194317 /nfs/dbraw/zinc/19/43/17/387194317.db2.gz QVKDLZRFLFMDHY-SCVCMEIPSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1ccc(CS(=O)(=O)[C@@H](C)CO)c(C)[nH+]1 ZINC000187432060 387197940 /nfs/dbraw/zinc/19/79/40/387197940.db2.gz GTNTXXURRDMVGS-VIFPVBQESA-N 1 2 243.328 0.994 20 0 BCADLO COC[C@@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000354020910 387312975 /nfs/dbraw/zinc/31/29/75/387312975.db2.gz AENFTXQZNKKCNY-NSHDSACASA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ncon1 ZINC000514949909 387313032 /nfs/dbraw/zinc/31/30/32/387313032.db2.gz MXHDDZNWHFWGDM-MRVPVSSYSA-N 1 2 238.291 0.589 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000336487575 387316138 /nfs/dbraw/zinc/31/61/38/387316138.db2.gz PYJUEKVBNIROGK-QMMMGPOBSA-N 1 2 218.322 0.115 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000336487575 387316143 /nfs/dbraw/zinc/31/61/43/387316143.db2.gz PYJUEKVBNIROGK-QMMMGPOBSA-N 1 2 218.322 0.115 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CCOC2)C1 ZINC000371950998 387259264 /nfs/dbraw/zinc/25/92/64/387259264.db2.gz PQVLBXUMXUBEQY-CYBMUJFWSA-N 1 2 249.314 0.912 20 0 BCADLO C[C@@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC000353768878 387273158 /nfs/dbraw/zinc/27/31/58/387273158.db2.gz PZJXAUQKWGRPFL-LBPRGKRZSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1ccncc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000353824360 387279917 /nfs/dbraw/zinc/27/99/17/387279917.db2.gz BGCOVUAZNUZHLD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccncc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000353824360 387279920 /nfs/dbraw/zinc/27/99/20/387279920.db2.gz BGCOVUAZNUZHLD-DGCLKSJQSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc(CCO)nc1 ZINC000352526367 387288895 /nfs/dbraw/zinc/28/88/95/387288895.db2.gz MYDRDLZRGQEPJG-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H]1CCNC1=O ZINC000336472603 387302267 /nfs/dbraw/zinc/30/22/67/387302267.db2.gz SNZLMQXFKJUQDX-JTQLQIEISA-N 1 2 248.286 0.164 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000514932126 387308389 /nfs/dbraw/zinc/30/83/89/387308389.db2.gz DNFARQXLPKBMMO-NQMVMOMDSA-N 1 2 235.287 0.469 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000514932126 387308391 /nfs/dbraw/zinc/30/83/91/387308391.db2.gz DNFARQXLPKBMMO-NQMVMOMDSA-N 1 2 235.287 0.469 20 0 BCADLO C[C@@H](C[NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423460938 387309258 /nfs/dbraw/zinc/30/92/58/387309258.db2.gz SEGXYVVYCQLQKB-LURJTMIESA-N 1 2 244.241 0.995 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336541364 387364081 /nfs/dbraw/zinc/36/40/81/387364081.db2.gz HHVHODBZEQSYOL-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336541364 387364087 /nfs/dbraw/zinc/36/40/87/387364087.db2.gz HHVHODBZEQSYOL-MGPLVRAMSA-N 1 2 246.376 0.308 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000373402151 387364795 /nfs/dbraw/zinc/36/47/95/387364795.db2.gz GZGMWAJIJQKUJJ-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000373402151 387364799 /nfs/dbraw/zinc/36/47/99/387364799.db2.gz GZGMWAJIJQKUJJ-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO Cn1c(C[N@@H+]2CC[C@@H](O)C2)nnc1C1CCC1 ZINC000360909868 387365463 /nfs/dbraw/zinc/36/54/63/387365463.db2.gz MNFOJRYFIPAXKD-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1c(C[N@H+]2CC[C@@H](O)C2)nnc1C1CCC1 ZINC000360909868 387365467 /nfs/dbraw/zinc/36/54/67/387365467.db2.gz MNFOJRYFIPAXKD-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000354381731 387367347 /nfs/dbraw/zinc/36/73/47/387367347.db2.gz AUROPSCMEVXHQE-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO COC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000515377421 387370548 /nfs/dbraw/zinc/37/05/48/387370548.db2.gz ZIZVGUHLLGOCIN-JTQLQIEISA-N 1 2 208.261 0.405 20 0 BCADLO COC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000515377421 387370553 /nfs/dbraw/zinc/37/05/53/387370553.db2.gz ZIZVGUHLLGOCIN-JTQLQIEISA-N 1 2 208.261 0.405 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000360960603 387374564 /nfs/dbraw/zinc/37/45/64/387374564.db2.gz ZJSKGFFBQWSWMD-GFCCVEGCSA-N 1 2 249.314 0.563 20 0 BCADLO O=C(C1CC1)[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000360960603 387374568 /nfs/dbraw/zinc/37/45/68/387374568.db2.gz ZJSKGFFBQWSWMD-GFCCVEGCSA-N 1 2 249.314 0.563 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)cn1 ZINC000360972553 387376852 /nfs/dbraw/zinc/37/68/52/387376852.db2.gz BEKPZZJKRFVHHC-JQWIXIFHSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C(N)=O)C2)cn1 ZINC000360972553 387376856 /nfs/dbraw/zinc/37/68/56/387376856.db2.gz BEKPZZJKRFVHHC-JQWIXIFHSA-N 1 2 249.314 0.465 20 0 BCADLO CC[C@H](F)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336557022 387380734 /nfs/dbraw/zinc/38/07/34/387380734.db2.gz XTXBIDXDGOPLHY-BDAKNGLRSA-N 1 2 202.273 0.897 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000336557022 387380739 /nfs/dbraw/zinc/38/07/39/387380739.db2.gz XTXBIDXDGOPLHY-BDAKNGLRSA-N 1 2 202.273 0.897 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360606443 387321255 /nfs/dbraw/zinc/32/12/55/387321255.db2.gz CWAMKEIQAHWVTQ-RKDXNWHRSA-N 1 2 225.267 0.920 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372735780 387323969 /nfs/dbraw/zinc/32/39/69/387323969.db2.gz GSKHOKMBVSXAHS-VHSXEESVSA-N 1 2 237.303 0.285 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cocn1 ZINC000572342863 387335172 /nfs/dbraw/zinc/33/51/72/387335172.db2.gz ROFILXILMJSKPY-MIMYLULJSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cocn1 ZINC000572342863 387335174 /nfs/dbraw/zinc/33/51/74/387335174.db2.gz ROFILXILMJSKPY-MIMYLULJSA-N 1 2 235.287 0.760 20 0 BCADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCOC1=O ZINC000372996977 387338999 /nfs/dbraw/zinc/33/89/99/387338999.db2.gz MPGJUBXVVSFBOP-NSHDSACASA-N 1 2 249.314 0.967 20 0 BCADLO C[C@@H](C(N)=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372999093 387339271 /nfs/dbraw/zinc/33/92/71/387339271.db2.gz RRANEXLUPOPKEP-VIFPVBQESA-N 1 2 236.319 0.525 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC ZINC000336516630 387341297 /nfs/dbraw/zinc/34/12/97/387341297.db2.gz MBMDMHRHPNSUID-SNVBAGLBSA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC ZINC000336516630 387341301 /nfs/dbraw/zinc/34/13/01/387341301.db2.gz MBMDMHRHPNSUID-SNVBAGLBSA-N 1 2 200.282 0.233 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC000331081079 387347866 /nfs/dbraw/zinc/34/78/66/387347866.db2.gz XQPDDEAOLADMFY-SECBINFHSA-N 1 2 239.319 0.628 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374137037 387423881 /nfs/dbraw/zinc/42/38/81/387423881.db2.gz QNSVATPGINSMQD-JTQLQIEISA-N 1 2 209.293 0.778 20 0 BCADLO CC[C@H](O)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374137037 387423885 /nfs/dbraw/zinc/42/38/85/387423885.db2.gz QNSVATPGINSMQD-JTQLQIEISA-N 1 2 209.293 0.778 20 0 BCADLO CCCCNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352661566 387425585 /nfs/dbraw/zinc/42/55/85/387425585.db2.gz UGBJZDVEWACFQH-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352661566 387425587 /nfs/dbraw/zinc/42/55/87/387425587.db2.gz UGBJZDVEWACFQH-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC3(CCC3)C2)n1 ZINC000194440571 387426420 /nfs/dbraw/zinc/42/64/20/387426420.db2.gz SDRQPLYFAGPBFT-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO Cn1nnc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000194440571 387426424 /nfs/dbraw/zinc/42/64/24/387426424.db2.gz SDRQPLYFAGPBFT-UHFFFAOYSA-N 1 2 207.281 0.586 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1cccc2[nH+]ccn21 ZINC000648074657 387429019 /nfs/dbraw/zinc/42/90/19/387429019.db2.gz HRXJZHGSCUGBBT-JTQLQIEISA-N 1 2 244.298 0.954 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000271207642 387442551 /nfs/dbraw/zinc/44/25/51/387442551.db2.gz SKATWQNIYUZDRY-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000271207642 387442559 /nfs/dbraw/zinc/44/25/59/387442559.db2.gz SKATWQNIYUZDRY-VIFPVBQESA-N 1 2 249.236 0.919 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352698486 387443380 /nfs/dbraw/zinc/44/33/80/387443380.db2.gz MZUQPPXQYWQAJM-VHSXEESVSA-N 1 2 240.303 0.101 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352698486 387443382 /nfs/dbraw/zinc/44/33/82/387443382.db2.gz MZUQPPXQYWQAJM-VHSXEESVSA-N 1 2 240.303 0.101 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000162607015 387447863 /nfs/dbraw/zinc/44/78/63/387447863.db2.gz QGCKTDQESVRDRB-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000162607015 387447866 /nfs/dbraw/zinc/44/78/66/387447866.db2.gz QGCKTDQESVRDRB-ZJUUUORDSA-N 1 2 224.308 0.408 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)CCO)n1 ZINC000304221298 387450419 /nfs/dbraw/zinc/45/04/19/387450419.db2.gz DZSAYSRONWTVLW-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCO)n1 ZINC000304221298 387450421 /nfs/dbraw/zinc/45/04/21/387450421.db2.gz DZSAYSRONWTVLW-MRVPVSSYSA-N 1 2 229.280 0.591 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(=O)NC(C)C ZINC000051924416 387451571 /nfs/dbraw/zinc/45/15/71/387451571.db2.gz OVXUWOYUROZOBI-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(=O)NC(C)C ZINC000051924416 387451575 /nfs/dbraw/zinc/45/15/75/387451575.db2.gz OVXUWOYUROZOBI-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000361385242 387452883 /nfs/dbraw/zinc/45/28/83/387452883.db2.gz OTRPEMMYXQYJED-NSHDSACASA-N 1 2 235.287 0.163 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000361385242 387452891 /nfs/dbraw/zinc/45/28/91/387452891.db2.gz OTRPEMMYXQYJED-NSHDSACASA-N 1 2 235.287 0.163 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)COC(F)F ZINC000352728622 387462464 /nfs/dbraw/zinc/46/24/64/387462464.db2.gz ZVOHLJSBOPAZGS-UHFFFAOYSA-N 1 2 219.191 0.607 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1CO ZINC000336616982 387459158 /nfs/dbraw/zinc/45/91/58/387459158.db2.gz JGYAZHWVAYWKMX-ZYHUDNBSSA-N 1 2 249.314 0.429 20 0 BCADLO CC[C@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354983268 387459441 /nfs/dbraw/zinc/45/94/41/387459441.db2.gz XADKKZUZJSHDGI-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CS2 ZINC000515491714 387388844 /nfs/dbraw/zinc/38/88/44/387388844.db2.gz KKXNUBQLAOSSHS-IUCAKERBSA-N 1 2 223.301 0.599 20 0 BCADLO CC[C@@H](O)CC(=O)NCc1[nH+]ccn1CC ZINC000515499659 387391007 /nfs/dbraw/zinc/39/10/07/387391007.db2.gz NGHCBIUUIQQVHN-SECBINFHSA-N 1 2 225.292 0.680 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373741651 387394982 /nfs/dbraw/zinc/39/49/82/387394982.db2.gz MWCCFTYKPGLJDW-ONGXEEELSA-N 1 2 249.314 0.929 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000361199097 387410513 /nfs/dbraw/zinc/41/05/13/387410513.db2.gz OBJUNABSUXLVHN-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO Cn1c[nH+]c2c1CCN(Cc1csnn1)C2 ZINC000361189907 387411688 /nfs/dbraw/zinc/41/16/88/387411688.db2.gz UAOXIPZMKNXWLA-UHFFFAOYSA-N 1 2 235.316 0.830 20 0 BCADLO COC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361443543 387461233 /nfs/dbraw/zinc/46/12/33/387461233.db2.gz CALYZGCDGVRGHB-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CC(C)OCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423777127 387423032 /nfs/dbraw/zinc/42/30/32/387423032.db2.gz RGDRMSDCWZFQIF-MRVPVSSYSA-N 1 2 236.262 0.525 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+](CCO)CC(F)F ZINC000395889733 387501067 /nfs/dbraw/zinc/50/10/67/387501067.db2.gz KJZUPJSVUVIYNK-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+](CCO)CC(F)F ZINC000395889733 387501071 /nfs/dbraw/zinc/50/10/71/387501071.db2.gz KJZUPJSVUVIYNK-QMMMGPOBSA-N 1 2 236.262 0.072 20 0 BCADLO CO[C@@H]([C@@H](C)NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000521449141 387505055 /nfs/dbraw/zinc/50/50/55/387505055.db2.gz ZRQQILPDJVFZFM-SKDRFNHKSA-N 1 2 237.303 0.813 20 0 BCADLO C[C@@H](CO)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000355244331 387505265 /nfs/dbraw/zinc/50/52/65/387505265.db2.gz USUCXEUPWCMKGV-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CO[C@@H]([C@H](C)NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000521449139 387506428 /nfs/dbraw/zinc/50/64/28/387506428.db2.gz ZRQQILPDJVFZFM-CABZTGNLSA-N 1 2 237.303 0.813 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1ncccn1 ZINC000361839911 387543399 /nfs/dbraw/zinc/54/33/99/387543399.db2.gz NHSKUAMYKBBEHR-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1ncccn1 ZINC000361839911 387543405 /nfs/dbraw/zinc/54/34/05/387543405.db2.gz NHSKUAMYKBBEHR-UHFFFAOYSA-N 1 2 239.319 0.962 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COCC(C)C ZINC000361640048 387516689 /nfs/dbraw/zinc/51/66/89/387516689.db2.gz RQPGBORVPAEAEX-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000361640048 387516693 /nfs/dbraw/zinc/51/66/93/387516693.db2.gz RQPGBORVPAEAEX-WDEREUQCSA-N 1 2 247.335 0.513 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000527235571 387543688 /nfs/dbraw/zinc/54/36/88/387543688.db2.gz VCGWLNPEPSQHKA-SECBINFHSA-N 1 2 235.324 0.998 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000527235571 387543691 /nfs/dbraw/zinc/54/36/91/387543691.db2.gz VCGWLNPEPSQHKA-SECBINFHSA-N 1 2 235.324 0.998 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C[C@@H]2CCSC2)CC1 ZINC000426163812 387544810 /nfs/dbraw/zinc/54/48/10/387544810.db2.gz XEGNJFCHQOERCL-RYUDHWBXSA-N 1 2 244.404 0.738 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CO ZINC000527191412 387524947 /nfs/dbraw/zinc/52/49/47/387524947.db2.gz SXLOSOCUMHLZPR-GXSJLCMTSA-N 1 2 237.303 0.192 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CO ZINC000527191414 387525676 /nfs/dbraw/zinc/52/56/76/387525676.db2.gz SXLOSOCUMHLZPR-MWLCHTKSSA-N 1 2 237.303 0.192 20 0 BCADLO CCC1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000304933684 387527776 /nfs/dbraw/zinc/52/77/76/387527776.db2.gz GFVLUFUJQKQRIQ-UHFFFAOYSA-N 1 2 240.347 0.703 20 0 BCADLO C[C@]1(O)CCC[N@H+](CC2N=NC(=O)S2)CC1 ZINC000375359301 387532118 /nfs/dbraw/zinc/53/21/18/387532118.db2.gz CPPKRBXSCAXSRE-JTQLQIEISA-N 1 2 243.332 0.981 20 0 BCADLO C[C@]1(O)CCC[N@@H+](CC2N=NC(=O)S2)CC1 ZINC000375359301 387532124 /nfs/dbraw/zinc/53/21/24/387532124.db2.gz CPPKRBXSCAXSRE-JTQLQIEISA-N 1 2 243.332 0.981 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)NCC1CC1 ZINC000375343934 387533090 /nfs/dbraw/zinc/53/30/90/387533090.db2.gz ZYHUUZCRXJCKNM-GFCCVEGCSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)NCC1CC1 ZINC000375343934 387533095 /nfs/dbraw/zinc/53/30/95/387533095.db2.gz ZYHUUZCRXJCKNM-GFCCVEGCSA-N 1 2 238.331 0.623 20 0 BCADLO CC1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000426031294 387536734 /nfs/dbraw/zinc/53/67/34/387536734.db2.gz XFTVNEJVXKRHNS-UHFFFAOYSA-N 1 2 226.320 0.625 20 0 BCADLO COC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361443545 387462661 /nfs/dbraw/zinc/46/26/61/387462661.db2.gz CALYZGCDGVRGHB-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540946 387466344 /nfs/dbraw/zinc/46/63/44/387466344.db2.gz IKMVTKAHGZIDPZ-MRVPVSSYSA-N 1 2 224.264 0.157 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540946 387466347 /nfs/dbraw/zinc/46/63/47/387466347.db2.gz IKMVTKAHGZIDPZ-MRVPVSSYSA-N 1 2 224.264 0.157 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](O)C1 ZINC000248907710 387468344 /nfs/dbraw/zinc/46/83/44/387468344.db2.gz WYTMWYGNUPWOMV-PSASIEDQSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](O)C1 ZINC000248907710 387468349 /nfs/dbraw/zinc/46/83/49/387468349.db2.gz WYTMWYGNUPWOMV-PSASIEDQSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H]1C[C@@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000426147523 387541912 /nfs/dbraw/zinc/54/19/12/387541912.db2.gz CEWCBBRGDBYTGB-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO CSCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355051384 387471119 /nfs/dbraw/zinc/47/11/19/387471119.db2.gz NJCGKDCMMFGGDD-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO CSCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355051384 387471122 /nfs/dbraw/zinc/47/11/22/387471122.db2.gz NJCGKDCMMFGGDD-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO COc1cc[nH+]c(CN2CCN(C)C(=O)[C@@H]2C)c1 ZINC000426143859 387542065 /nfs/dbraw/zinc/54/20/65/387542065.db2.gz ALINNHRYBSZIHX-JTQLQIEISA-N 1 2 249.314 0.753 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1ncnn1CCF ZINC000361513778 387476212 /nfs/dbraw/zinc/47/62/12/387476212.db2.gz HSKZEJXMMFLLQO-MRVPVSSYSA-N 1 2 216.260 0.060 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1ncnn1CCF ZINC000361513778 387476217 /nfs/dbraw/zinc/47/62/17/387476217.db2.gz HSKZEJXMMFLLQO-MRVPVSSYSA-N 1 2 216.260 0.060 20 0 BCADLO Cc1cn2c(n1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000374650297 387476553 /nfs/dbraw/zinc/47/65/53/387476553.db2.gz XFEXNJKADJAVNU-UHFFFAOYSA-N 1 2 217.276 0.930 20 0 BCADLO CCO[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374659841 387477802 /nfs/dbraw/zinc/47/78/02/387477802.db2.gz DMLBMELMPIDOAZ-JTQLQIEISA-N 1 2 237.303 0.959 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374699421 387482080 /nfs/dbraw/zinc/48/20/80/387482080.db2.gz LLAXEERDTGJVLM-QWRGUYRKSA-N 1 2 249.314 0.959 20 0 BCADLO C[C@H]([C@H](C)NC(=O)C1CC1)[NH+]1CCOCC1 ZINC000355126986 387482817 /nfs/dbraw/zinc/48/28/17/387482817.db2.gz AGTFQXRICCFIGM-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)Cn1cccn1)CC2 ZINC000374697401 387483761 /nfs/dbraw/zinc/48/37/61/387483761.db2.gz FWPQVGLMEXBNFA-UHFFFAOYSA-N 1 2 245.286 0.430 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1=COCCO1)CC2 ZINC000374713771 387486022 /nfs/dbraw/zinc/48/60/22/387486022.db2.gz LCNOCEHODCKUSN-UHFFFAOYSA-N 1 2 249.270 0.422 20 0 BCADLO Cc1cn2c([nH+]1)CN(CCOCCO)CC2 ZINC000374708673 387486048 /nfs/dbraw/zinc/48/60/48/387486048.db2.gz BMFPAPBZJJWQTL-UHFFFAOYSA-N 1 2 225.292 0.016 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000355176240 387488912 /nfs/dbraw/zinc/48/89/12/387488912.db2.gz LZGRQSGMUHXXIR-KXUCPTDWSA-N 1 2 245.319 0.144 20 0 BCADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000355176240 387488917 /nfs/dbraw/zinc/48/89/17/387488917.db2.gz LZGRQSGMUHXXIR-KXUCPTDWSA-N 1 2 245.319 0.144 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@H](O)C(F)F)C1 ZINC000516312235 387491900 /nfs/dbraw/zinc/49/19/00/387491900.db2.gz BVARHIKMUXLPOV-ZETCQYMHSA-N 1 2 236.262 0.070 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352802722 387492729 /nfs/dbraw/zinc/49/27/29/387492729.db2.gz WIQLMKTWXDIGNV-NWDGAFQWSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352802722 387492735 /nfs/dbraw/zinc/49/27/35/387492735.db2.gz WIQLMKTWXDIGNV-NWDGAFQWSA-N 1 2 239.319 0.656 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000375814075 387586327 /nfs/dbraw/zinc/58/63/27/387586327.db2.gz MAXMIKDXINIMHK-ZYHUDNBSSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000375814075 387586328 /nfs/dbraw/zinc/58/63/28/387586328.db2.gz MAXMIKDXINIMHK-ZYHUDNBSSA-N 1 2 249.314 0.915 20 0 BCADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccon1 ZINC000123553857 387587180 /nfs/dbraw/zinc/58/71/80/387587180.db2.gz UIPQJQVOFBRJJE-NSHDSACASA-N 1 2 242.275 0.732 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527510657 387590073 /nfs/dbraw/zinc/59/00/73/387590073.db2.gz ZSNYEKANHJCIRQ-QMMMGPOBSA-N 1 2 236.312 0.112 20 0 BCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527510657 387590076 /nfs/dbraw/zinc/59/00/76/387590076.db2.gz ZSNYEKANHJCIRQ-QMMMGPOBSA-N 1 2 236.312 0.112 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC000428221997 387591648 /nfs/dbraw/zinc/59/16/48/387591648.db2.gz SMXXTMPVPLDGAY-MRVPVSSYSA-N 1 2 210.281 0.495 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC000428221997 387591650 /nfs/dbraw/zinc/59/16/50/387591650.db2.gz SMXXTMPVPLDGAY-MRVPVSSYSA-N 1 2 210.281 0.495 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000362327626 387596937 /nfs/dbraw/zinc/59/69/37/387596937.db2.gz XZAZHAUIOGQIBE-SECBINFHSA-N 1 2 239.323 0.649 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000362327626 387596941 /nfs/dbraw/zinc/59/69/41/387596941.db2.gz XZAZHAUIOGQIBE-SECBINFHSA-N 1 2 239.323 0.649 20 0 BCADLO C[C@H](CC(N)=O)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000362362571 387601705 /nfs/dbraw/zinc/60/17/05/387601705.db2.gz OZGFCCOHBFCEEJ-MRVPVSSYSA-N 1 2 246.270 0.328 20 0 BCADLO O=C(CO)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000305693567 387629067 /nfs/dbraw/zinc/62/90/67/387629067.db2.gz CPEYYNDMUUICHU-UHFFFAOYSA-N 1 2 217.228 0.803 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000124212666 387608449 /nfs/dbraw/zinc/60/84/49/387608449.db2.gz IIVWSHAGQSBINH-NEPJUHHUSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000124212666 387608455 /nfs/dbraw/zinc/60/84/55/387608455.db2.gz IIVWSHAGQSBINH-NEPJUHHUSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000124212366 387608558 /nfs/dbraw/zinc/60/85/58/387608558.db2.gz IIVWSHAGQSBINH-VXGBXAGGSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000124212366 387608561 /nfs/dbraw/zinc/60/85/61/387608561.db2.gz IIVWSHAGQSBINH-VXGBXAGGSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)ccn1 ZINC000527539216 387608969 /nfs/dbraw/zinc/60/89/69/387608969.db2.gz JQHVUMAVQAXBRB-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H]2CC(N)=O)ccn1 ZINC000527539216 387608975 /nfs/dbraw/zinc/60/89/75/387608975.db2.gz JQHVUMAVQAXBRB-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO O=C(Nc1nncs1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376182438 387613453 /nfs/dbraw/zinc/61/34/53/387613453.db2.gz RJQGVGSLYUKPEY-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO CCN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000376265827 387616550 /nfs/dbraw/zinc/61/65/50/387616550.db2.gz NFWFRMIODRUOHS-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000376265827 387616558 /nfs/dbraw/zinc/61/65/58/387616558.db2.gz NFWFRMIODRUOHS-NSHDSACASA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000376265826 387617081 /nfs/dbraw/zinc/61/70/81/387617081.db2.gz NFWFRMIODRUOHS-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000376265826 387617084 /nfs/dbraw/zinc/61/70/84/387617084.db2.gz NFWFRMIODRUOHS-LLVKDONJSA-N 1 2 241.335 0.511 20 0 BCADLO CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356124243 387619530 /nfs/dbraw/zinc/61/95/30/387619530.db2.gz KXWAWIPUXRCUBH-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356124243 387619532 /nfs/dbraw/zinc/61/95/32/387619532.db2.gz KXWAWIPUXRCUBH-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO CCCCOCCNC(=O)Cn1cc[nH+]c1 ZINC000124662940 387625492 /nfs/dbraw/zinc/62/54/92/387625492.db2.gz PUKODYZNMMYLFT-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000361867441 387547203 /nfs/dbraw/zinc/54/72/03/387547203.db2.gz GRBBIYSKNYXLOM-LLVKDONJSA-N 1 2 246.314 0.673 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000361867441 387547209 /nfs/dbraw/zinc/54/72/09/387547209.db2.gz GRBBIYSKNYXLOM-LLVKDONJSA-N 1 2 246.314 0.673 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC1=O ZINC000527257233 387552024 /nfs/dbraw/zinc/55/20/24/387552024.db2.gz DFHOUOBMPGHZGT-SECBINFHSA-N 1 2 235.287 0.448 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362058357 387565949 /nfs/dbraw/zinc/56/59/49/387565949.db2.gz UCGCJMYFKHARCH-IUCAKERBSA-N 1 2 225.292 0.692 20 0 BCADLO CCc1nc(C[N@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362058357 387565953 /nfs/dbraw/zinc/56/59/53/387565953.db2.gz UCGCJMYFKHARCH-IUCAKERBSA-N 1 2 225.292 0.692 20 0 BCADLO Cc1noc(CNc2[nH+]cnc3c2cnn3C)n1 ZINC000038035179 387570151 /nfs/dbraw/zinc/57/01/51/387570151.db2.gz HMONVDPUHKHMQN-UHFFFAOYSA-N 1 2 245.246 0.667 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000332745119 387572315 /nfs/dbraw/zinc/57/23/15/387572315.db2.gz BZVZTCYQHBWCOP-MWLCHTKSSA-N 1 2 237.303 0.646 20 0 BCADLO CNS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367210348 387573861 /nfs/dbraw/zinc/57/38/61/387573861.db2.gz CKQNHHHIRLFRFT-ZETCQYMHSA-N 1 2 230.293 0.011 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399893309 387577813 /nfs/dbraw/zinc/57/78/13/387577813.db2.gz ZAZYBJBAYZYZIA-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CCOC[C@H](O)C1 ZINC000399893309 387577815 /nfs/dbraw/zinc/57/78/15/387577815.db2.gz ZAZYBJBAYZYZIA-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)ccn1 ZINC000527536367 387630347 /nfs/dbraw/zinc/63/03/47/387630347.db2.gz WXEQGEXDDFMCDQ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)ccn1 ZINC000527536367 387630351 /nfs/dbraw/zinc/63/03/51/387630351.db2.gz WXEQGEXDDFMCDQ-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)ccn1 ZINC000527536363 387630603 /nfs/dbraw/zinc/63/06/03/387630603.db2.gz WXEQGEXDDFMCDQ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)ccn1 ZINC000527536363 387630608 /nfs/dbraw/zinc/63/06/08/387630608.db2.gz WXEQGEXDDFMCDQ-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO c1[nH+]cn2c1CN(Cc1csnn1)CC2 ZINC000356282708 387637198 /nfs/dbraw/zinc/63/71/98/387637198.db2.gz NLYREOSZCRBIHB-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000356409220 387655517 /nfs/dbraw/zinc/65/55/17/387655517.db2.gz KEEATCCUOFUTEI-LLVKDONJSA-N 1 2 238.335 0.217 20 0 BCADLO COCc1nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000305882978 387665257 /nfs/dbraw/zinc/66/52/57/387665257.db2.gz WGYZRCRGWNIBCA-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000305882978 387665259 /nfs/dbraw/zinc/66/52/59/387665259.db2.gz WGYZRCRGWNIBCA-DTWKUNHWSA-N 1 2 241.291 0.419 20 0 BCADLO CNC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000362871165 387666486 /nfs/dbraw/zinc/66/64/86/387666486.db2.gz CARRXCKEARGELO-UHFFFAOYSA-N 1 2 246.274 0.196 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cncn1C ZINC000362937802 387674259 /nfs/dbraw/zinc/67/42/59/387674259.db2.gz DLQZFNMDRAMSKX-UHFFFAOYSA-N 1 2 247.302 0.779 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC000440705930 387674341 /nfs/dbraw/zinc/67/43/41/387674341.db2.gz QKVYNCGQVVWVIY-SECBINFHSA-N 1 2 228.271 0.468 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC000440705930 387674343 /nfs/dbraw/zinc/67/43/43/387674343.db2.gz QKVYNCGQVVWVIY-SECBINFHSA-N 1 2 228.271 0.468 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440709211 387678637 /nfs/dbraw/zinc/67/86/37/387678637.db2.gz BAORXYPOGCQJCG-RKDXNWHRSA-N 1 2 238.328 0.358 20 0 BCADLO CC[C@@H](F)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440709211 387678643 /nfs/dbraw/zinc/67/86/43/387678643.db2.gz BAORXYPOGCQJCG-RKDXNWHRSA-N 1 2 238.328 0.358 20 0 BCADLO CC(C)[N@H+](CCO)Cc1ncnn1CC(F)F ZINC000362964702 387678835 /nfs/dbraw/zinc/67/88/35/387678835.db2.gz WOBICSUSHVDDQQ-UHFFFAOYSA-N 1 2 248.277 0.746 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1ncnn1CC(F)F ZINC000362964702 387678842 /nfs/dbraw/zinc/67/88/42/387678842.db2.gz WOBICSUSHVDDQQ-UHFFFAOYSA-N 1 2 248.277 0.746 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376957918 387680231 /nfs/dbraw/zinc/68/02/31/387680231.db2.gz MJXOOQLNKLUAHO-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO Cn1cc[nH+]c1CS(=O)(=O)C[C@H]1CCCO1 ZINC000356609738 387681327 /nfs/dbraw/zinc/68/13/27/387681327.db2.gz KADPHCACSRBDCN-SECBINFHSA-N 1 2 244.316 0.514 20 0 BCADLO C[C@@H](CO)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000367248334 387748832 /nfs/dbraw/zinc/74/88/32/387748832.db2.gz ZXQUXBSMPXEBKY-UWVGGRQHSA-N 1 2 237.303 0.285 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000441353456 387749626 /nfs/dbraw/zinc/74/96/26/387749626.db2.gz ZNQZMOOXLPIHPP-YUMQZZPRSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000441353456 387749632 /nfs/dbraw/zinc/74/96/32/387749632.db2.gz ZNQZMOOXLPIHPP-YUMQZZPRSA-N 1 2 226.280 0.510 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000440779049 387697162 /nfs/dbraw/zinc/69/71/62/387697162.db2.gz FRUQGXLQWZRVDI-WDEREUQCSA-N 1 2 232.299 0.571 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000440779049 387697165 /nfs/dbraw/zinc/69/71/65/387697165.db2.gz FRUQGXLQWZRVDI-WDEREUQCSA-N 1 2 232.299 0.571 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)nc1 ZINC000441385973 387754865 /nfs/dbraw/zinc/75/48/65/387754865.db2.gz OJWBWCZGAHQBGQ-KOLCDFICSA-N 1 2 234.303 0.399 20 0 BCADLO CS[C@H](C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000431392782 387705489 /nfs/dbraw/zinc/70/54/89/387705489.db2.gz PYPSWTWBCICSCP-MRVPVSSYSA-N 1 2 216.350 0.947 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)s1 ZINC000367458924 387711878 /nfs/dbraw/zinc/71/18/78/387711878.db2.gz PMBNFYBNMQTFNY-HTQZYQBOSA-N 1 2 241.316 0.997 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3OCC[C@H]32)s1 ZINC000367458924 387711883 /nfs/dbraw/zinc/71/18/83/387711883.db2.gz PMBNFYBNMQTFNY-HTQZYQBOSA-N 1 2 241.316 0.997 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCC[C@H]3OCC[C@H]32)S1 ZINC000367458924 387711885 /nfs/dbraw/zinc/71/18/85/387711885.db2.gz PMBNFYBNMQTFNY-HTQZYQBOSA-N 1 2 241.316 0.997 20 0 BCADLO O=C1N=NC(C[N@H+]2CCC[C@H]3OCC[C@H]32)S1 ZINC000367458924 387711886 /nfs/dbraw/zinc/71/18/86/387711886.db2.gz PMBNFYBNMQTFNY-HTQZYQBOSA-N 1 2 241.316 0.997 20 0 BCADLO Cn1cnc2c(c1=O)CC[N@H+](CC(F)F)C2 ZINC000377491867 387718459 /nfs/dbraw/zinc/71/84/59/387718459.db2.gz OHHRGBYSRIMCMV-UHFFFAOYSA-N 1 2 229.230 0.404 20 0 BCADLO Cn1cnc2c(c1=O)CC[N@@H+](CC(F)F)C2 ZINC000377491867 387718463 /nfs/dbraw/zinc/71/84/63/387718463.db2.gz OHHRGBYSRIMCMV-UHFFFAOYSA-N 1 2 229.230 0.404 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000115577684 387725013 /nfs/dbraw/zinc/72/50/13/387725013.db2.gz UWFLUNLBGZKSER-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000115577684 387725019 /nfs/dbraw/zinc/72/50/19/387725019.db2.gz UWFLUNLBGZKSER-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000431901964 387738380 /nfs/dbraw/zinc/73/83/80/387738380.db2.gz ZDGPMGJFJADRRG-QMMMGPOBSA-N 1 2 223.276 0.280 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)NCC1CC1)C2 ZINC000377674164 387738589 /nfs/dbraw/zinc/73/85/89/387738589.db2.gz YIJMMUZCAOUDKD-UHFFFAOYSA-N 1 2 234.303 0.898 20 0 BCADLO CC[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378113664 387765952 /nfs/dbraw/zinc/76/59/52/387765952.db2.gz JMEZPVZDGLYWAQ-NEPJUHHUSA-N 1 2 240.347 0.966 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000378344712 387780379 /nfs/dbraw/zinc/78/03/79/387780379.db2.gz BVEHJACJGVDEPQ-QMMMGPOBSA-N 1 2 239.300 0.780 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000378344712 387780384 /nfs/dbraw/zinc/78/03/84/387780384.db2.gz BVEHJACJGVDEPQ-QMMMGPOBSA-N 1 2 239.300 0.780 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cocn1 ZINC000432738583 387812461 /nfs/dbraw/zinc/81/24/61/387812461.db2.gz SFUQTUBKSAXGTF-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cocn1 ZINC000432738583 387812463 /nfs/dbraw/zinc/81/24/63/387812463.db2.gz SFUQTUBKSAXGTF-SECBINFHSA-N 1 2 209.249 0.385 20 0 BCADLO c1cnc(-c2noc([C@@H]3CSC[NH2+]3)n2)cn1 ZINC000442755629 387834329 /nfs/dbraw/zinc/83/43/29/387834329.db2.gz ZKEOTSBAKBRTAF-ZETCQYMHSA-N 1 2 235.272 0.862 20 0 BCADLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)OC ZINC000050052423 387836976 /nfs/dbraw/zinc/83/69/76/387836976.db2.gz QAZQSMQEOVEDHS-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)OC ZINC000050052423 387836982 /nfs/dbraw/zinc/83/69/82/387836982.db2.gz QAZQSMQEOVEDHS-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COc1ccc[nH+]c1N(C)CCNC(C)=O ZINC000528040569 387837124 /nfs/dbraw/zinc/83/71/24/387837124.db2.gz ONTDHFORUZSNJB-UHFFFAOYSA-N 1 2 223.276 0.663 20 0 BCADLO CC[C@H](NC(=O)Cc1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000442797486 387843253 /nfs/dbraw/zinc/84/32/53/387843253.db2.gz IHKZTUOFSPWWCM-JTQLQIEISA-N 1 2 247.302 0.953 20 0 BCADLO CC[C@H](NC(=O)c1nnn(C)c1C)c1[nH]cc[nH+]1 ZINC000442804008 387843540 /nfs/dbraw/zinc/84/35/40/387843540.db2.gz VJNAECPXEQZBHS-QMMMGPOBSA-N 1 2 248.290 0.728 20 0 BCADLO C[NH+]1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000432928704 387844089 /nfs/dbraw/zinc/84/40/89/387844089.db2.gz UFCRXECSMLAOOE-UHFFFAOYSA-N 1 2 237.351 0.850 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000432929803 387844534 /nfs/dbraw/zinc/84/45/34/387844534.db2.gz ZEXSEXKVOGUNJW-LLVKDONJSA-N 1 2 235.287 0.871 20 0 BCADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000432929803 387844539 /nfs/dbraw/zinc/84/45/39/387844539.db2.gz ZEXSEXKVOGUNJW-LLVKDONJSA-N 1 2 235.287 0.871 20 0 BCADLO CC/C=C\CNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000452610842 387874853 /nfs/dbraw/zinc/87/48/53/387874853.db2.gz GYWLUYKXPXUOBF-ISALQUGTSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C\CNC(=O)[C@H]1COCC[N@H+]1CC ZINC000452610842 387874858 /nfs/dbraw/zinc/87/48/58/387874858.db2.gz GYWLUYKXPXUOBF-ISALQUGTSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@H](NC(=O)C(=O)NC1CC1)c1[nH]cc[nH+]1 ZINC000442819531 387846974 /nfs/dbraw/zinc/84/69/74/387846974.db2.gz ILASIXFMKWPMOB-QMMMGPOBSA-N 1 2 236.275 0.256 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000432997015 387847484 /nfs/dbraw/zinc/84/74/84/387847484.db2.gz JLWHVHJFJSTVHA-CYBMUJFWSA-N 1 2 240.347 0.844 20 0 BCADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cnn(C)c1 ZINC000433034592 387853292 /nfs/dbraw/zinc/85/32/92/387853292.db2.gz ZAOCMBJNYLGQJE-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cnn(C)c1 ZINC000433034592 387853298 /nfs/dbraw/zinc/85/32/98/387853298.db2.gz ZAOCMBJNYLGQJE-QFYYESIMSA-N 1 2 241.360 0.763 20 0 BCADLO Cc1ccccc1C[NH2+]Cc1nnn(C)n1 ZINC000235767542 387855405 /nfs/dbraw/zinc/85/54/05/387855405.db2.gz DATWUIXUADRBHT-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO C[NH+]1C[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000193632490 387858891 /nfs/dbraw/zinc/85/88/91/387858891.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 1 2 234.347 0.767 20 0 BCADLO C[NH+]1C[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000193632490 387858893 /nfs/dbraw/zinc/85/88/93/387858893.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 1 2 234.347 0.767 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626186 387863546 /nfs/dbraw/zinc/86/35/46/387863546.db2.gz XGKOVVTWLULKOF-CBAPKCEASA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626186 387863550 /nfs/dbraw/zinc/86/35/50/387863550.db2.gz XGKOVVTWLULKOF-CBAPKCEASA-N 1 2 223.276 0.896 20 0 BCADLO COC[C@@]1(C)C[N@H+](CC(C)=O)CCO1 ZINC000639896773 387815980 /nfs/dbraw/zinc/81/59/80/387815980.db2.gz ATFVNGGMQNIVIC-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CC(C)=O)CCO1 ZINC000639896773 387815986 /nfs/dbraw/zinc/81/59/86/387815986.db2.gz ATFVNGGMQNIVIC-SNVBAGLBSA-N 1 2 201.266 0.313 20 0 BCADLO Nc1nc(N)nc(C[N@@H+]2CCC23CCC3)n1 ZINC000309559025 387819129 /nfs/dbraw/zinc/81/91/29/387819129.db2.gz NRYIBQOQMDNMQZ-UHFFFAOYSA-N 1 2 220.280 0.164 20 0 BCADLO Nc1nc(N)nc(C[N@H+]2CCC23CCC3)n1 ZINC000309559025 387819131 /nfs/dbraw/zinc/81/91/31/387819131.db2.gz NRYIBQOQMDNMQZ-UHFFFAOYSA-N 1 2 220.280 0.164 20 0 BCADLO O[C@@H]1C[NH+](Cc2c(F)cccc2F)C[C@H]1O ZINC000236529220 387894680 /nfs/dbraw/zinc/89/46/80/387894680.db2.gz XHNHQBFAPXQPPV-GHMZBOCLSA-N 1 2 229.226 0.502 20 0 BCADLO CC/C=C/CNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000452610843 387875843 /nfs/dbraw/zinc/87/58/43/387875843.db2.gz GYWLUYKXPXUOBF-MVIFTORASA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C/CNC(=O)[C@H]1COCC[N@H+]1CC ZINC000452610843 387875849 /nfs/dbraw/zinc/87/58/49/387875849.db2.gz GYWLUYKXPXUOBF-MVIFTORASA-N 1 2 226.320 0.790 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1COC1 ZINC000528226501 387882531 /nfs/dbraw/zinc/88/25/31/387882531.db2.gz QAYGLYLGDLBZAW-UHFFFAOYSA-N 1 2 219.248 0.422 20 0 BCADLO COCCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194599900 387885659 /nfs/dbraw/zinc/88/56/59/387885659.db2.gz YEFQNVPFAXSHLG-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COCCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194599900 387885662 /nfs/dbraw/zinc/88/56/62/387885662.db2.gz YEFQNVPFAXSHLG-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO O=C(c1cccnn1)N1CC[NH+](C2CC2)CC1 ZINC000528265678 387886959 /nfs/dbraw/zinc/88/69/59/387886959.db2.gz DQHLLGOTYMTNIW-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO Cn1c[nH+]cc1Cn1cnc2cnccc2c1=O ZINC000438292309 387919804 /nfs/dbraw/zinc/91/98/04/387919804.db2.gz DNINYEWEGLFINB-UHFFFAOYSA-N 1 2 241.254 0.573 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727508 387917769 /nfs/dbraw/zinc/91/77/69/387917769.db2.gz KIYHDNVKJDPISN-SVRRBLITSA-N 1 2 240.225 0.107 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727508 387917776 /nfs/dbraw/zinc/91/77/76/387917776.db2.gz KIYHDNVKJDPISN-SVRRBLITSA-N 1 2 240.225 0.107 20 0 BCADLO C[N@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528350882 387906412 /nfs/dbraw/zinc/90/64/12/387906412.db2.gz VNCAOPIUYNVROW-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO C[N@@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528350882 387906421 /nfs/dbraw/zinc/90/64/21/387906421.db2.gz VNCAOPIUYNVROW-UHFFFAOYSA-N 1 2 213.306 0.840 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CC=C(C)C ZINC000163743097 387935839 /nfs/dbraw/zinc/93/58/39/387935839.db2.gz WZNNFDPFKRWUGL-VHSXEESVSA-N 1 2 213.277 0.561 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CC=C(C)C ZINC000163743097 387935841 /nfs/dbraw/zinc/93/58/41/387935841.db2.gz WZNNFDPFKRWUGL-VHSXEESVSA-N 1 2 213.277 0.561 20 0 BCADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](O)C1 ZINC000245519475 387953293 /nfs/dbraw/zinc/95/32/93/387953293.db2.gz SGRRPWPJPNNRJG-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](O)C1 ZINC000245519475 387953298 /nfs/dbraw/zinc/95/32/98/387953298.db2.gz SGRRPWPJPNNRJG-NKWVEPMBSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000438571227 387943047 /nfs/dbraw/zinc/94/30/47/387943047.db2.gz LFYVIGBZZGMECB-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)CC[C@@H](C)O ZINC000438979152 387968757 /nfs/dbraw/zinc/96/87/57/387968757.db2.gz NWHJLXWLGMACSY-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)CC[C@@H](C)O ZINC000438979152 387968759 /nfs/dbraw/zinc/96/87/59/387968759.db2.gz NWHJLXWLGMACSY-SNVBAGLBSA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)CC[C@H](C)O ZINC000438979151 387970340 /nfs/dbraw/zinc/97/03/40/387970340.db2.gz NWHJLXWLGMACSY-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)CC[C@H](C)O ZINC000438979151 387970344 /nfs/dbraw/zinc/97/03/44/387970344.db2.gz NWHJLXWLGMACSY-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCCOCC(=O)N(C)Cc1[nH+]ccn1C ZINC000065537940 387978715 /nfs/dbraw/zinc/97/87/15/387978715.db2.gz FYTMKHMFEKDOCX-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCn1cc[nH+]c1 ZINC000159034426 387980727 /nfs/dbraw/zinc/98/07/27/387980727.db2.gz BGUATSIIHKTZJA-VIFPVBQESA-N 1 2 211.265 0.112 20 0 BCADLO CCNC(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445846582 387974331 /nfs/dbraw/zinc/97/43/31/387974331.db2.gz KGKCBHBQNOILAM-UHFFFAOYSA-N 1 2 225.317 0.637 20 0 BCADLO CCNC(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445846582 387974335 /nfs/dbraw/zinc/97/43/35/387974335.db2.gz KGKCBHBQNOILAM-UHFFFAOYSA-N 1 2 225.317 0.637 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCc3ncsc3C2)C1=O ZINC000445874488 387976682 /nfs/dbraw/zinc/97/66/82/387976682.db2.gz GYZBTJRVYKWDBN-SECBINFHSA-N 1 2 237.328 0.732 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCc3ncsc3C2)C1=O ZINC000445874488 387976685 /nfs/dbraw/zinc/97/66/85/387976685.db2.gz GYZBTJRVYKWDBN-SECBINFHSA-N 1 2 237.328 0.732 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)CC1([NH+](C)C)CCC1 ZINC000445872737 387977107 /nfs/dbraw/zinc/97/71/07/387977107.db2.gz YIJIFVULMYIHOT-UHFFFAOYSA-N 1 2 239.323 0.426 20 0 BCADLO Cc1ccn(CC(=O)NCc2[nH]cc[nH+]2)c(=O)c1 ZINC000446048566 387988060 /nfs/dbraw/zinc/98/80/60/387988060.db2.gz VFBNIIVOIUYPFY-UHFFFAOYSA-N 1 2 246.270 0.196 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC2(CO)CC2)nc1 ZINC000446064727 387988976 /nfs/dbraw/zinc/98/89/76/387988976.db2.gz WLOIZUXDVACDFG-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO Cc1cnc(C[N@H+](C)CC2(CO)CC2)nc1 ZINC000446064727 387988978 /nfs/dbraw/zinc/98/89/78/387988978.db2.gz WLOIZUXDVACDFG-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC2(C)C)CCO1 ZINC000533117953 387990860 /nfs/dbraw/zinc/99/08/60/387990860.db2.gz OUOMDPSSKSKQQJ-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC2(C)C)CCO1 ZINC000533117953 387990863 /nfs/dbraw/zinc/99/08/63/387990863.db2.gz OUOMDPSSKSKQQJ-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CCC2)[nH]1 ZINC000439290720 387991116 /nfs/dbraw/zinc/99/11/16/387991116.db2.gz AWYZQHMRQIEHAI-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CCC2)[nH]1 ZINC000439290720 387991119 /nfs/dbraw/zinc/99/11/19/387991119.db2.gz AWYZQHMRQIEHAI-UHFFFAOYSA-N 1 2 224.308 0.714 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)[C@@H](C)O1 ZINC000446069712 387993113 /nfs/dbraw/zinc/99/31/13/387993113.db2.gz FYBUOZOSFUEQIU-HRDYMLBCSA-N 1 2 240.307 0.106 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H](C)[C@@H](C)O1 ZINC000446069712 387993116 /nfs/dbraw/zinc/99/31/16/387993116.db2.gz FYBUOZOSFUEQIU-HRDYMLBCSA-N 1 2 240.307 0.106 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439286110 387986691 /nfs/dbraw/zinc/98/66/91/387986691.db2.gz LYAWPTGAOQJIIO-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439286110 387986694 /nfs/dbraw/zinc/98/66/94/387986694.db2.gz LYAWPTGAOQJIIO-WDEREUQCSA-N 1 2 244.335 0.200 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446075636 387998204 /nfs/dbraw/zinc/99/82/04/387998204.db2.gz ABSQFWXWEIUDSL-GUBZILKMSA-N 1 2 214.309 0.620 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446075636 387998206 /nfs/dbraw/zinc/99/82/06/387998206.db2.gz ABSQFWXWEIUDSL-GUBZILKMSA-N 1 2 214.309 0.620 20 0 BCADLO Cn1c[nH+]cc1Cn1nnc2ccccc2c1=O ZINC000439555622 388009949 /nfs/dbraw/zinc/00/99/49/388009949.db2.gz FJNQYIOBWAHVJU-UHFFFAOYSA-N 1 2 241.254 0.573 20 0 BCADLO CCN(CC(C)(C)O)C(=O)CCn1cc[nH+]c1 ZINC000081746809 388010683 /nfs/dbraw/zinc/01/06/83/388010683.db2.gz WNJASVMEGDLJRI-UHFFFAOYSA-N 1 2 239.319 0.893 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000082303289 388026239 /nfs/dbraw/zinc/02/62/39/388026239.db2.gz FILWHFFGVTYYOE-NSHDSACASA-N 1 2 242.319 0.004 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccoc1 ZINC000082266609 388019926 /nfs/dbraw/zinc/01/99/26/388019926.db2.gz QJCWHLSFFSVVFD-UHFFFAOYSA-N 1 2 205.217 0.943 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(N)c1 ZINC000082475241 388034873 /nfs/dbraw/zinc/03/48/73/388034873.db2.gz PPRJXHGWOAJQJC-SECBINFHSA-N 1 2 219.288 0.589 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(N)c1 ZINC000082475241 388034875 /nfs/dbraw/zinc/03/48/75/388034875.db2.gz PPRJXHGWOAJQJC-SECBINFHSA-N 1 2 219.288 0.589 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000440271674 388036744 /nfs/dbraw/zinc/03/67/44/388036744.db2.gz ADJOPTVTHIBVBP-ZETCQYMHSA-N 1 2 229.230 0.827 20 0 BCADLO Cc1cc(NCC2(O)CCOCC2)nc[nH+]1 ZINC000082693874 388040389 /nfs/dbraw/zinc/04/03/89/388040389.db2.gz ASDJSYBXNCOVFZ-UHFFFAOYSA-N 1 2 223.276 0.738 20 0 BCADLO COc1cncc(COCc2[nH]cc[nH+]2)n1 ZINC000629369313 388041437 /nfs/dbraw/zinc/04/14/37/388041437.db2.gz WEBJUZGSABMOKT-UHFFFAOYSA-N 1 2 220.232 0.925 20 0 BCADLO OCC[N@H+](Cc1ncnn1CCF)C1CCC1 ZINC000440495762 388044725 /nfs/dbraw/zinc/04/47/25/388044725.db2.gz QACCBXUHAVVZCL-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO OCC[N@@H+](Cc1ncnn1CCF)C1CCC1 ZINC000440495762 388044728 /nfs/dbraw/zinc/04/47/28/388044728.db2.gz QACCBXUHAVVZCL-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000440530054 388053568 /nfs/dbraw/zinc/05/35/68/388053568.db2.gz ZLGLDERTIOSAQD-WDEREUQCSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000440530054 388053571 /nfs/dbraw/zinc/05/35/71/388053571.db2.gz ZLGLDERTIOSAQD-WDEREUQCSA-N 1 2 218.316 0.733 20 0 BCADLO Cn1c[nH+]cc1Cn1cnc2[nH]ccc2c1=O ZINC000447323912 388064506 /nfs/dbraw/zinc/06/45/06/388064506.db2.gz HZSQAOGFLFAQMK-UHFFFAOYSA-N 1 2 229.243 0.506 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000083995431 388068096 /nfs/dbraw/zinc/06/80/96/388068096.db2.gz JLXYFPJYWHBJSU-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000083995431 388068097 /nfs/dbraw/zinc/06/80/97/388068097.db2.gz JLXYFPJYWHBJSU-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C)[C@H](C)C1 ZINC000424517320 388081710 /nfs/dbraw/zinc/08/17/10/388081710.db2.gz JCLVYILHUKGAEN-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C)[C@H](C)C1 ZINC000424517320 388081713 /nfs/dbraw/zinc/08/17/13/388081713.db2.gz JCLVYILHUKGAEN-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO CN(C)c1nc(NCCc2nc[nH]n2)cc[nH+]1 ZINC000085431922 388088520 /nfs/dbraw/zinc/08/85/20/388088520.db2.gz WIIIFHARJWHJLP-UHFFFAOYSA-N 1 2 233.279 0.315 20 0 BCADLO COC(C)(C)CNC(=O)NCCn1cc[nH+]c1 ZINC000080616117 388091214 /nfs/dbraw/zinc/09/12/14/388091214.db2.gz NGRZUGYVKDAVFZ-UHFFFAOYSA-N 1 2 240.307 0.607 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)C(=O)OC ZINC000447800725 388093446 /nfs/dbraw/zinc/09/34/46/388093446.db2.gz WOENAHUCRYMLKI-IVZWLZJFSA-N 1 2 243.303 0.869 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844495 388095201 /nfs/dbraw/zinc/09/52/01/388095201.db2.gz MQQJNKANKXPURW-RKDXNWHRSA-N 1 2 240.307 0.636 20 0 BCADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000447844495 388095202 /nfs/dbraw/zinc/09/52/02/388095202.db2.gz MQQJNKANKXPURW-RKDXNWHRSA-N 1 2 240.307 0.636 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@H](C)CC ZINC000056509105 388098838 /nfs/dbraw/zinc/09/88/38/388098838.db2.gz OCYNZZLIOCIRIY-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@H](C)CC ZINC000056509105 388098841 /nfs/dbraw/zinc/09/88/41/388098841.db2.gz OCYNZZLIOCIRIY-SNVBAGLBSA-N 1 2 243.351 0.359 20 0 BCADLO CCc1nc(C[NH2+][C@H](CO)[C@@H]2CCCO2)no1 ZINC000447914818 388102471 /nfs/dbraw/zinc/10/24/71/388102471.db2.gz PYZWDSJXMMBNBI-BDAKNGLRSA-N 1 2 241.291 0.262 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C2CC2)C1 ZINC000447906599 388102847 /nfs/dbraw/zinc/10/28/47/388102847.db2.gz OZYGGXXVUVKELJ-UHFFFAOYSA-N 1 2 234.303 0.667 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447916819 388103377 /nfs/dbraw/zinc/10/33/77/388103377.db2.gz PRYNYTCSEYFCTG-DCAQKATOSA-N 1 2 245.319 0.458 20 0 BCADLO CC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261528103 135152632 /nfs/dbraw/zinc/15/26/32/135152632.db2.gz IMZXVNTXCMKARM-NKWVEPMBSA-N 1 2 206.236 0.898 20 0 BCADLO Cn1nnc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000440499654 388045013 /nfs/dbraw/zinc/04/50/13/388045013.db2.gz ACPSZSANKLUFNP-MNOVXSKESA-N 1 2 237.307 0.257 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000440495027 388045917 /nfs/dbraw/zinc/04/59/17/388045917.db2.gz KQLYTSDRDSDLJB-GUBZILKMSA-N 1 2 233.283 0.733 20 0 BCADLO CC[C@H](F)C[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000440495027 388045920 /nfs/dbraw/zinc/04/59/20/388045920.db2.gz KQLYTSDRDSDLJB-GUBZILKMSA-N 1 2 233.283 0.733 20 0 BCADLO OCC[C@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000440509408 388046918 /nfs/dbraw/zinc/04/69/18/388046918.db2.gz JFFVPDTVEGSJID-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO OCC[C@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000440509408 388046921 /nfs/dbraw/zinc/04/69/21/388046921.db2.gz JFFVPDTVEGSJID-SNVBAGLBSA-N 1 2 242.298 0.594 20 0 BCADLO C[N@H+](CCCCCO)Cc1ncnn1CCF ZINC000440508346 388047151 /nfs/dbraw/zinc/04/71/51/388047151.db2.gz BVZTWEUVTWVHLU-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO C[N@@H+](CCCCCO)Cc1ncnn1CCF ZINC000440508346 388047155 /nfs/dbraw/zinc/04/71/55/388047155.db2.gz BVZTWEUVTWVHLU-UHFFFAOYSA-N 1 2 244.314 0.842 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@H]1O ZINC000249150840 388048087 /nfs/dbraw/zinc/04/80/87/388048087.db2.gz WVUXGPBHBCPMSI-WCBMZHEXSA-N 1 2 247.302 0.570 20 0 BCADLO COCc1noc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000646144863 388156621 /nfs/dbraw/zinc/15/66/21/388156621.db2.gz WEEZBNLAEIKSIN-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO COCc1noc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000646144863 388156624 /nfs/dbraw/zinc/15/66/24/388156624.db2.gz WEEZBNLAEIKSIN-IUCAKERBSA-N 1 2 241.291 0.561 20 0 BCADLO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171423 388159585 /nfs/dbraw/zinc/15/95/85/388159585.db2.gz JBMKJZKIKOCGQR-APPZFPTMSA-N 1 2 245.286 0.894 20 0 BCADLO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171426 388159706 /nfs/dbraw/zinc/15/97/06/388159706.db2.gz JBMKJZKIKOCGQR-VXNVDRBHSA-N 1 2 245.286 0.894 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccoc1)[C@@H](C)O ZINC000449271801 388165430 /nfs/dbraw/zinc/16/54/30/388165430.db2.gz UQBYJOVTOGSGNN-IQJOONFLSA-N 1 2 241.287 0.723 20 0 BCADLO COC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000449274094 388165674 /nfs/dbraw/zinc/16/56/74/388165674.db2.gz ASMKAJVAAILMOZ-CIUDSAMLSA-N 1 2 233.333 0.516 20 0 BCADLO CCOCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259701 388172121 /nfs/dbraw/zinc/17/21/21/388172121.db2.gz TVVMUMAFXOGAJP-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO CCOCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259701 388172123 /nfs/dbraw/zinc/17/21/23/388172123.db2.gz TVVMUMAFXOGAJP-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO O=C([C@H]1CCCOC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260769 388172134 /nfs/dbraw/zinc/17/21/34/388172134.db2.gz GKUKPDVIQVHCCA-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO O=C([C@H]1CCCOC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260769 388172136 /nfs/dbraw/zinc/17/21/36/388172136.db2.gz GKUKPDVIQVHCCA-VIFPVBQESA-N 1 2 235.287 0.721 20 0 BCADLO C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000646260909 388172350 /nfs/dbraw/zinc/17/23/50/388172350.db2.gz QOBWDTNKIDMELE-LBPRGKRZSA-N 1 2 235.287 0.864 20 0 BCADLO C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000646260909 388172353 /nfs/dbraw/zinc/17/23/53/388172353.db2.gz QOBWDTNKIDMELE-LBPRGKRZSA-N 1 2 235.287 0.864 20 0 BCADLO C[C@@H](F)CCNC(=O)NCCn1cc[nH+]c1 ZINC000454609221 388125376 /nfs/dbraw/zinc/12/53/76/388125376.db2.gz FOAFQHGQEBXVNJ-SECBINFHSA-N 1 2 228.271 0.930 20 0 BCADLO COc1cc(C)ccc1C[N@H+](C)CC(N)=O ZINC000449011773 388128741 /nfs/dbraw/zinc/12/87/41/388128741.db2.gz UPOASKCCXIADHO-UHFFFAOYSA-N 1 2 222.288 0.921 20 0 BCADLO COc1cc(C)ccc1C[N@@H+](C)CC(N)=O ZINC000449011773 388128744 /nfs/dbraw/zinc/12/87/44/388128744.db2.gz UPOASKCCXIADHO-UHFFFAOYSA-N 1 2 222.288 0.921 20 0 BCADLO CC(C)[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646037529 388129932 /nfs/dbraw/zinc/12/99/32/388129932.db2.gz PQRRDCJLQWPZPC-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO CC(C)[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646037529 388129935 /nfs/dbraw/zinc/12/99/35/388129935.db2.gz PQRRDCJLQWPZPC-SNVBAGLBSA-N 1 2 233.333 0.284 20 0 BCADLO CCc1nnc(C[NH2+][C@@H]2COC[C@H]2OC)s1 ZINC000646044421 388130829 /nfs/dbraw/zinc/13/08/29/388130829.db2.gz BEHICJWGTKMNBA-HTQZYQBOSA-N 1 2 243.332 0.604 20 0 BCADLO C[C@@H](CNc1cc(CO)cc[nH+]1)c1nncn1C ZINC000641526290 388151397 /nfs/dbraw/zinc/15/13/97/388151397.db2.gz ZNVQQRYCILKOGT-VIFPVBQESA-N 1 2 247.302 0.918 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000490731470 388250043 /nfs/dbraw/zinc/25/00/43/388250043.db2.gz ORJKHZXPPGCFGH-PSASIEDQSA-N 1 2 242.298 0.497 20 0 BCADLO CS(=O)(=O)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000488707852 388191887 /nfs/dbraw/zinc/19/18/87/388191887.db2.gz FYCXEDURSWIANN-JTQLQIEISA-N 1 2 240.328 0.953 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449502448 388219417 /nfs/dbraw/zinc/21/94/17/388219417.db2.gz GRCRAJWQGZXRBW-DGCLKSJQSA-N 1 2 241.331 0.936 20 0 BCADLO COCC[N@H+](Cc1ccn(C)n1)[C@@H]1CCOC1 ZINC000490040591 388231113 /nfs/dbraw/zinc/23/11/13/388231113.db2.gz FCADGSMMSKWYGE-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@@H+](Cc1ccn(C)n1)[C@@H]1CCOC1 ZINC000490040591 388231115 /nfs/dbraw/zinc/23/11/15/388231115.db2.gz FCADGSMMSKWYGE-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@H+](Cc1nccn1C)[C@H]1CCOC1 ZINC000490034793 388231243 /nfs/dbraw/zinc/23/12/43/388231243.db2.gz OOKGBBDJHMEGPI-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@@H+](Cc1nccn1C)[C@H]1CCOC1 ZINC000490034793 388231248 /nfs/dbraw/zinc/23/12/48/388231248.db2.gz OOKGBBDJHMEGPI-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO COCCN(Cc1[nH+]ccn1C)[C@H]1CCOC1 ZINC000490034793 388231249 /nfs/dbraw/zinc/23/12/49/388231249.db2.gz OOKGBBDJHMEGPI-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO Cc1nnsc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000490049714 388232356 /nfs/dbraw/zinc/23/23/56/388232356.db2.gz YNECDCHWLRYRAO-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnsc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000490049714 388232357 /nfs/dbraw/zinc/23/23/57/388232357.db2.gz YNECDCHWLRYRAO-SSDOTTSWSA-N 1 2 240.332 0.623 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451643000 388287171 /nfs/dbraw/zinc/28/71/71/388287171.db2.gz ZUAGHRVUAVMMAW-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451643000 388287172 /nfs/dbraw/zinc/28/71/72/388287172.db2.gz ZUAGHRVUAVMMAW-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643008 388287304 /nfs/dbraw/zinc/28/73/04/388287304.db2.gz RPHOPGHZQHVTDR-ZYHUDNBSSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CC(=O)N1 ZINC000451643008 388287306 /nfs/dbraw/zinc/28/73/06/388287306.db2.gz RPHOPGHZQHVTDR-ZYHUDNBSSA-N 1 2 240.347 0.748 20 0 BCADLO CC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)CCO1 ZINC000491584335 388304541 /nfs/dbraw/zinc/30/45/41/388304541.db2.gz RXGVPRKRSHYSHY-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)CCO1 ZINC000491584335 388304542 /nfs/dbraw/zinc/30/45/42/388304542.db2.gz RXGVPRKRSHYSHY-LLVKDONJSA-N 1 2 243.351 0.805 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C\C2CCC2)C1 ZINC000492039550 388332238 /nfs/dbraw/zinc/33/22/38/388332238.db2.gz AHXXNVMRVKOCPS-FOQNGQEVSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)/C=C\C2CCC2)C1 ZINC000492039550 388332239 /nfs/dbraw/zinc/33/22/39/388332239.db2.gz AHXXNVMRVKOCPS-FOQNGQEVSA-N 1 2 238.331 0.790 20 0 BCADLO O=C(/C=C\C1CC1)NCC[NH+]1CCOCC1 ZINC000491911308 388327426 /nfs/dbraw/zinc/32/74/26/388327426.db2.gz RJQIZPDMSSSXMS-ARJAWSKDSA-N 1 2 224.304 0.401 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/C2CC2)C1 ZINC000491948620 388329035 /nfs/dbraw/zinc/32/90/35/388329035.db2.gz KJICWZVYUBEGDG-BTDICHCPSA-N 1 2 237.347 0.315 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/C2CC2)C1 ZINC000491948620 388329036 /nfs/dbraw/zinc/32/90/36/388329036.db2.gz KJICWZVYUBEGDG-BTDICHCPSA-N 1 2 237.347 0.315 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\C1CC1 ZINC000491945515 388329131 /nfs/dbraw/zinc/32/91/31/388329131.db2.gz NXIZCTXQDNTAFI-DOGVGXBMSA-N 1 2 238.331 0.790 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)[nH]1 ZINC000451462414 388275655 /nfs/dbraw/zinc/27/56/55/388275655.db2.gz TYXAPZGBEUNZLA-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)[C@@H]2C)[nH]1 ZINC000451462414 388275657 /nfs/dbraw/zinc/27/56/57/388275657.db2.gz TYXAPZGBEUNZLA-IUCAKERBSA-N 1 2 224.308 0.712 20 0 BCADLO COC(=O)CCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275664292 388345211 /nfs/dbraw/zinc/34/52/11/388345211.db2.gz YJNHSPPUFZKJHX-MRVPVSSYSA-N 1 2 226.280 0.419 20 0 BCADLO Cc1nnsc1C(=O)NCc1[nH]c[nH+]c1C ZINC000276426905 388348224 /nfs/dbraw/zinc/34/82/24/388348224.db2.gz CQDCAWPPCUVCHZ-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO CC[C@](C)(OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000234119651 388353191 /nfs/dbraw/zinc/35/31/91/388353191.db2.gz LINUYTGUZKCVPI-JTQLQIEISA-N 1 2 211.265 0.841 20 0 BCADLO COC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000648785389 388354039 /nfs/dbraw/zinc/35/40/39/388354039.db2.gz IJTRUUYRKCURQI-UHFFFAOYSA-N 1 2 221.260 0.445 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N(C)CCO)ccn12 ZINC000572614652 388361146 /nfs/dbraw/zinc/36/11/46/388361146.db2.gz DJSNQQOVDGJGNN-UHFFFAOYSA-N 1 2 233.271 0.707 20 0 BCADLO C[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000227849495 388371346 /nfs/dbraw/zinc/37/13/46/388371346.db2.gz MWMMUVMSZGGROE-SCSAIBSYSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000227849495 388371349 /nfs/dbraw/zinc/37/13/49/388371349.db2.gz MWMMUVMSZGGROE-SCSAIBSYSA-N 1 2 202.645 0.505 20 0 BCADLO C[C@H](C(=O)N(C)c1nncs1)[NH+]1CC(C)C1 ZINC000519559573 256651779 /nfs/dbraw/zinc/65/17/79/256651779.db2.gz USTQURZPKRFCCQ-MRVPVSSYSA-N 1 2 240.332 0.841 20 0 BCADLO CCc1nnc(C[NH+]2CCC(CCO)CC2)[nH]1 ZINC000572782985 388375713 /nfs/dbraw/zinc/37/57/13/388375713.db2.gz DVKUYBSBQBYYQJ-UHFFFAOYSA-N 1 2 238.335 0.962 20 0 BCADLO Cn1ccc(CNc2ccc(CO)c[nH+]2)n1 ZINC000291485641 388376944 /nfs/dbraw/zinc/37/69/44/388376944.db2.gz GCORRQRKDXDKQQ-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO Nc1[nH+]cnc(NC[C@H]2COCCO2)c1Cl ZINC000236392642 388379610 /nfs/dbraw/zinc/37/96/10/388379610.db2.gz MTZQIZYKQIOERB-LURJTMIESA-N 1 2 244.682 0.540 20 0 BCADLO Nc1nc[nH+]c(NC[C@H]2COCCO2)c1Cl ZINC000236392642 388379611 /nfs/dbraw/zinc/37/96/11/388379611.db2.gz MTZQIZYKQIOERB-LURJTMIESA-N 1 2 244.682 0.540 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(O)CC1 ZINC000492247388 388339326 /nfs/dbraw/zinc/33/93/26/388339326.db2.gz AJNJNOSBOPWEBV-ONEGZZNKSA-N 1 2 249.314 0.900 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)CO ZINC000492280720 388340032 /nfs/dbraw/zinc/34/00/32/388340032.db2.gz YVQKJAWTLADIKZ-WBSSQXGSSA-N 1 2 223.276 0.413 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)CO ZINC000492280719 388340086 /nfs/dbraw/zinc/34/00/86/388340086.db2.gz YVQKJAWTLADIKZ-MOVJSRMASA-N 1 2 223.276 0.413 20 0 BCADLO C[N@H+](CC1(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000525977353 388440126 /nfs/dbraw/zinc/44/01/26/388440126.db2.gz KEYHWGAVNTZLIM-QMMMGPOBSA-N 1 2 221.297 0.607 20 0 BCADLO C[N@@H+](CC1(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000525977353 388440128 /nfs/dbraw/zinc/44/01/28/388440128.db2.gz KEYHWGAVNTZLIM-QMMMGPOBSA-N 1 2 221.297 0.607 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246450807 388442897 /nfs/dbraw/zinc/44/28/97/388442897.db2.gz IXUVOJBWASTMOQ-HBNTYKKESA-N 1 2 242.319 0.001 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246450807 388442899 /nfs/dbraw/zinc/44/28/99/388442899.db2.gz IXUVOJBWASTMOQ-HBNTYKKESA-N 1 2 242.319 0.001 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCO[C@H]2C[C@H]21 ZINC000646735397 388447746 /nfs/dbraw/zinc/44/77/46/388447746.db2.gz YPRDTFIUAHUFSJ-JLLWLGSASA-N 1 2 247.298 0.445 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@@H]2C[C@@H]21 ZINC000646738894 388449484 /nfs/dbraw/zinc/44/94/84/388449484.db2.gz FXIMSTOYKVIPIH-OUAUKWLOSA-N 1 2 247.298 0.445 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000575248087 388449650 /nfs/dbraw/zinc/44/96/50/388449650.db2.gz FKHOYPJCPYXGTP-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000575248087 388449651 /nfs/dbraw/zinc/44/96/51/388449651.db2.gz FKHOYPJCPYXGTP-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000336711760 388466561 /nfs/dbraw/zinc/46/65/61/388466561.db2.gz UQEACCYZIUHKEV-CBAPKCEASA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000336711760 388466563 /nfs/dbraw/zinc/46/65/63/388466563.db2.gz UQEACCYZIUHKEV-CBAPKCEASA-N 1 2 210.281 0.316 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866713 388468402 /nfs/dbraw/zinc/46/84/02/388468402.db2.gz QABVYMTXWAZNST-VIFPVBQESA-N 1 2 223.276 0.762 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866713 388468403 /nfs/dbraw/zinc/46/84/03/388468403.db2.gz QABVYMTXWAZNST-VIFPVBQESA-N 1 2 223.276 0.762 20 0 BCADLO C[C@H]1[C@@H](CO)CCN1c1[nH+]cnc2c1cnn2C ZINC000337935142 388475203 /nfs/dbraw/zinc/47/52/03/388475203.db2.gz VWJBAHICXDVHKC-DTWKUNHWSA-N 1 2 247.302 0.570 20 0 BCADLO C[C@@H](O)[C@@H](C)[NH2+]Cc1nc(-c2ccncc2)n[nH]1 ZINC000516454442 388477566 /nfs/dbraw/zinc/47/75/66/388477566.db2.gz QANNVWYOMAZLPL-RKDXNWHRSA-N 1 2 247.302 0.726 20 0 BCADLO CCN(C)CC[NH2+]Cc1ccnc(OC)n1 ZINC000295245289 388410003 /nfs/dbraw/zinc/41/00/03/388410003.db2.gz TVWGUEABMCVPGJ-UHFFFAOYSA-N 1 2 224.308 0.527 20 0 BCADLO O=C(C[N@H+]1CC[C@H](OC(F)F)C1)NCC1CC1 ZINC000573147844 388425426 /nfs/dbraw/zinc/42/54/26/388425426.db2.gz POEHGTRUNKNRDA-VIFPVBQESA-N 1 2 248.273 0.826 20 0 BCADLO O=C(C[N@@H+]1CC[C@H](OC(F)F)C1)NCC1CC1 ZINC000573147844 388425429 /nfs/dbraw/zinc/42/54/29/388425429.db2.gz POEHGTRUNKNRDA-VIFPVBQESA-N 1 2 248.273 0.826 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000336887707 388429965 /nfs/dbraw/zinc/42/99/65/388429965.db2.gz DKKXSNOOCBVANR-YUMQZZPRSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000573217860 388432888 /nfs/dbraw/zinc/43/28/88/388432888.db2.gz SLLQTTOEXPEBAR-KOLCDFICSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCO1 ZINC000573217860 388432889 /nfs/dbraw/zinc/43/28/89/388432889.db2.gz SLLQTTOEXPEBAR-KOLCDFICSA-N 1 2 237.303 0.884 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308205421 388433727 /nfs/dbraw/zinc/43/37/27/388433727.db2.gz YKYDYFQXJUYTDA-BWZBUEFSSA-N 1 2 203.307 0.889 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308205423 388434155 /nfs/dbraw/zinc/43/41/55/388434155.db2.gz YKYDYFQXJUYTDA-RNJXMRFFSA-N 1 2 203.307 0.889 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](C)OC)C(C)C ZINC000167005158 388436983 /nfs/dbraw/zinc/43/69/83/388436983.db2.gz MGNPKWBKGSZLHE-IUCAKERBSA-N 1 2 203.282 0.809 20 0 BCADLO C[C@@H](CNC(=O)N[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000246083744 388437877 /nfs/dbraw/zinc/43/78/77/388437877.db2.gz GAEGFFIQLWMJHY-OUAUKWLOSA-N 1 2 241.335 0.415 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1CC(=O)C1 ZINC000548460604 388540349 /nfs/dbraw/zinc/54/03/49/388540349.db2.gz OLBOXHSHHAZKKB-UHFFFAOYSA-N 1 2 221.260 0.058 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)n(C)n1 ZINC000548519515 388545606 /nfs/dbraw/zinc/54/56/06/388545606.db2.gz IMIHPFWJFSJRTH-UHFFFAOYSA-N 1 2 233.275 0.643 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccc(=O)[nH]c1 ZINC000548585887 388547118 /nfs/dbraw/zinc/54/71/18/388547118.db2.gz SPIRFZBFQUXFOM-UHFFFAOYSA-N 1 2 246.270 0.380 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC000356281945 388547811 /nfs/dbraw/zinc/54/78/11/388547811.db2.gz OTBOGUPOPNYTGZ-MNOVXSKESA-N 1 2 227.304 0.953 20 0 BCADLO CC(C)[N@H+](CCOCCO)CC(F)F ZINC000135407776 388494373 /nfs/dbraw/zinc/49/43/73/388494373.db2.gz BZNMSMRDBDTYHM-UHFFFAOYSA-N 1 2 211.252 0.971 20 0 BCADLO CC(C)[N@@H+](CCOCCO)CC(F)F ZINC000135407776 388494374 /nfs/dbraw/zinc/49/43/74/388494374.db2.gz BZNMSMRDBDTYHM-UHFFFAOYSA-N 1 2 211.252 0.971 20 0 BCADLO CCN(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548041805 388505194 /nfs/dbraw/zinc/50/51/94/388505194.db2.gz WUUGIHISTMTRFC-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCN(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000548041805 388505198 /nfs/dbraw/zinc/50/51/98/388505198.db2.gz WUUGIHISTMTRFC-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CC(C)(C(=O)NCCCF)[NH+]1CCOCC1 ZINC000548089326 388509162 /nfs/dbraw/zinc/50/91/62/388509162.db2.gz VLIWZCYBADJOJT-UHFFFAOYSA-N 1 2 232.299 0.573 20 0 BCADLO Cc1nc(NC(=O)C23CCC[NH+]2CCC3)n[nH]1 ZINC000548085264 388509987 /nfs/dbraw/zinc/50/99/87/388509987.db2.gz QZLIVXQPULSAFH-UHFFFAOYSA-N 1 2 235.291 0.680 20 0 BCADLO CC[C@H](OC)C(=O)NCCc1c[nH+]cn1C ZINC000548132198 388515470 /nfs/dbraw/zinc/51/54/70/388515470.db2.gz DYXPLMQFZISAAM-JTQLQIEISA-N 1 2 225.292 0.504 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCSC1 ZINC000548132649 388515760 /nfs/dbraw/zinc/51/57/60/388515760.db2.gz FDOFXBVXVGBHHZ-VIFPVBQESA-N 1 2 239.344 0.832 20 0 BCADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)n1cccn1 ZINC000548132012 388515982 /nfs/dbraw/zinc/51/59/82/388515982.db2.gz MDNSNEHPSXPLEK-SNVBAGLBSA-N 1 2 247.302 0.537 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000528399854 388519758 /nfs/dbraw/zinc/51/97/58/388519758.db2.gz YBNLWNFEDMDSRL-GNJCPQTGSA-N 1 2 229.711 0.838 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000528399854 388519759 /nfs/dbraw/zinc/51/97/59/388519759.db2.gz YBNLWNFEDMDSRL-GNJCPQTGSA-N 1 2 229.711 0.838 20 0 BCADLO COC[C@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000548186597 388520613 /nfs/dbraw/zinc/52/06/13/388520613.db2.gz GSSLGAKMFXQAOZ-SNVBAGLBSA-N 1 2 239.319 0.751 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCSCC1 ZINC000548191280 388521393 /nfs/dbraw/zinc/52/13/93/388521393.db2.gz UWCGHXFFEGDPOQ-UHFFFAOYSA-N 1 2 225.317 0.538 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000516865323 388521464 /nfs/dbraw/zinc/52/14/64/388521464.db2.gz BVZZQNOANRNTFL-NXEZZACHSA-N 1 2 228.317 0.955 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)[nH]1 ZINC000516903407 388523343 /nfs/dbraw/zinc/52/33/43/388523343.db2.gz GEUDROJXQVKMCJ-IQJOONFLSA-N 1 2 249.318 0.199 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)[nH]1 ZINC000516903407 388523346 /nfs/dbraw/zinc/52/33/46/388523346.db2.gz GEUDROJXQVKMCJ-IQJOONFLSA-N 1 2 249.318 0.199 20 0 BCADLO CC[C@]1(O)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000548287959 388526121 /nfs/dbraw/zinc/52/61/21/388526121.db2.gz NVUDWGLBWSSRJV-LBPRGKRZSA-N 1 2 247.302 0.715 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)CCC1=O ZINC000528458310 388529123 /nfs/dbraw/zinc/52/91/23/388529123.db2.gz HYVHXLOXWZOIJD-GHMZBOCLSA-N 1 2 241.331 0.563 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCC2)CCC1=O ZINC000528458310 388529125 /nfs/dbraw/zinc/52/91/25/388529125.db2.gz HYVHXLOXWZOIJD-GHMZBOCLSA-N 1 2 241.331 0.563 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)CCC1=O ZINC000528458315 388529140 /nfs/dbraw/zinc/52/91/40/388529140.db2.gz HYVHXLOXWZOIJD-QWRGUYRKSA-N 1 2 241.331 0.563 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CCC1=O ZINC000528458315 388529142 /nfs/dbraw/zinc/52/91/42/388529142.db2.gz HYVHXLOXWZOIJD-QWRGUYRKSA-N 1 2 241.331 0.563 20 0 BCADLO O=C(NC(CF)CF)[C@H]1CCc2c[nH+]cn2C1 ZINC000516972360 388529423 /nfs/dbraw/zinc/52/94/23/388529423.db2.gz AVXKRDYVMKWLEU-QMMMGPOBSA-N 1 2 243.257 0.869 20 0 BCADLO CCCc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351809558 388534073 /nfs/dbraw/zinc/53/40/73/388534073.db2.gz LUTLMKWMEIIWQL-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCCc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351809558 388534075 /nfs/dbraw/zinc/53/40/75/388534075.db2.gz LUTLMKWMEIIWQL-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000219431157 388591856 /nfs/dbraw/zinc/59/18/56/388591856.db2.gz GHLOKEXLRHVIDG-RKDXNWHRSA-N 1 2 215.293 0.953 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC12CC(C1)CO2 ZINC000529872908 388595152 /nfs/dbraw/zinc/59/51/52/388595152.db2.gz RDTSRPZAIATYLL-UHFFFAOYSA-N 1 2 235.287 0.556 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000549936252 388595183 /nfs/dbraw/zinc/59/51/83/388595183.db2.gz RSANFBNFNQFQGQ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000549936252 388595185 /nfs/dbraw/zinc/59/51/85/388595185.db2.gz RSANFBNFNQFQGQ-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO O[C@H]1C[NH+](Cc2ncccc2Cl)C[C@@H]1O ZINC000528612815 388552330 /nfs/dbraw/zinc/55/23/30/388552330.db2.gz WEUHWGOXVVPZKG-UWVGGRQHSA-N 1 2 228.679 0.272 20 0 BCADLO Cc1cc(N(C)Cc2nnc3n2CCC3)nc[nH+]1 ZINC000521060581 388560384 /nfs/dbraw/zinc/56/03/84/388560384.db2.gz AZRHMZKVPXDZHW-UHFFFAOYSA-N 1 2 244.302 0.959 20 0 BCADLO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000528718831 388561212 /nfs/dbraw/zinc/56/12/12/388561212.db2.gz ILNYACSWKHLQTO-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000528718831 388561214 /nfs/dbraw/zinc/56/12/14/388561214.db2.gz ILNYACSWKHLQTO-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528724210 388561892 /nfs/dbraw/zinc/56/18/92/388561892.db2.gz LXNNADHJVVQIFM-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528724210 388561896 /nfs/dbraw/zinc/56/18/96/388561896.db2.gz LXNNADHJVVQIFM-GHMZBOCLSA-N 1 2 242.319 0.002 20 0 BCADLO CCOC[C@H]1C[N@H+](CC(=O)N(C)CC)CCO1 ZINC000528724485 388561984 /nfs/dbraw/zinc/56/19/84/388561984.db2.gz XLBRPUSBHKWMER-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC[C@H]1C[N@@H+](CC(=O)N(C)CC)CCO1 ZINC000528724485 388561986 /nfs/dbraw/zinc/56/19/86/388561986.db2.gz XLBRPUSBHKWMER-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCOC[C@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528731917 388563884 /nfs/dbraw/zinc/56/38/84/388563884.db2.gz LVLYUQMDDTUCDA-NEPJUHHUSA-N 1 2 245.319 0.064 20 0 BCADLO CCOC[C@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528731917 388563886 /nfs/dbraw/zinc/56/38/86/388563886.db2.gz LVLYUQMDDTUCDA-NEPJUHHUSA-N 1 2 245.319 0.064 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cnccn1 ZINC000080980566 388564336 /nfs/dbraw/zinc/56/43/36/388564336.db2.gz IRHVNRMZROLADG-VIFPVBQESA-N 1 2 208.265 0.172 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cnccn1 ZINC000080980566 388564338 /nfs/dbraw/zinc/56/43/38/388564338.db2.gz IRHVNRMZROLADG-VIFPVBQESA-N 1 2 208.265 0.172 20 0 BCADLO CCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175681212 388564967 /nfs/dbraw/zinc/56/49/67/388564967.db2.gz SYAJVKSYQDPYTM-UHFFFAOYSA-N 1 2 228.273 0.630 20 0 BCADLO C[C@]1(CO)C[N@@H+](Cc2ccon2)C[C@@]1(C)CO ZINC000528753478 388566163 /nfs/dbraw/zinc/56/61/63/388566163.db2.gz TUKOVICNOPNUHX-TXEJJXNPSA-N 1 2 240.303 0.487 20 0 BCADLO C[C@]1(CO)C[N@H+](Cc2ccon2)C[C@@]1(C)CO ZINC000528753478 388566166 /nfs/dbraw/zinc/56/61/66/388566166.db2.gz TUKOVICNOPNUHX-TXEJJXNPSA-N 1 2 240.303 0.487 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000528764920 388569040 /nfs/dbraw/zinc/56/90/40/388569040.db2.gz PBIHHOPEBCYOPN-XZMZPDFPSA-N 1 2 226.280 0.412 20 0 BCADLO O=C(C[NH2+][C@H]1CCCc2[nH]ncc21)NCC1CC1 ZINC000368613982 388569791 /nfs/dbraw/zinc/56/97/91/388569791.db2.gz LRKCQTRBXLQQLB-NSHDSACASA-N 1 2 248.330 0.903 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548983103 388570014 /nfs/dbraw/zinc/57/00/14/388570014.db2.gz YWQSAEHFIXCDLI-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548983103 388570017 /nfs/dbraw/zinc/57/00/17/388570017.db2.gz YWQSAEHFIXCDLI-VIFPVBQESA-N 1 2 215.297 0.026 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C)c1ncccc1F ZINC000528826657 388576844 /nfs/dbraw/zinc/57/68/44/388576844.db2.gz WCUJVAFGJYECLH-QMMMGPOBSA-N 1 2 225.267 0.960 20 0 BCADLO Cc1nsc(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000301364511 388579321 /nfs/dbraw/zinc/57/93/21/388579321.db2.gz PQQUYYQARZPFLS-QMMMGPOBSA-N 1 2 242.348 0.979 20 0 BCADLO CCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000081572336 388584427 /nfs/dbraw/zinc/58/44/27/388584427.db2.gz LNIAZCFOEWXJSL-UHFFFAOYSA-N 1 2 231.321 0.603 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191536342 388664989 /nfs/dbraw/zinc/66/49/89/388664989.db2.gz PSSQAMIJUSYYJV-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1nncs1 ZINC000530187737 388624898 /nfs/dbraw/zinc/62/48/98/388624898.db2.gz UMDZPHSRKBZXKO-ZETCQYMHSA-N 1 2 249.299 0.479 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000521821161 388630380 /nfs/dbraw/zinc/63/03/80/388630380.db2.gz ZUPVPENYZKQKBS-UHFFFAOYSA-N 1 2 248.330 0.621 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000521821161 388630385 /nfs/dbraw/zinc/63/03/85/388630385.db2.gz ZUPVPENYZKQKBS-UHFFFAOYSA-N 1 2 248.330 0.621 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCO ZINC000521903677 388640372 /nfs/dbraw/zinc/64/03/72/388640372.db2.gz AZNVFQIUTCXALR-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCO ZINC000521903677 388640374 /nfs/dbraw/zinc/64/03/74/388640374.db2.gz AZNVFQIUTCXALR-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246508330 388641135 /nfs/dbraw/zinc/64/11/35/388641135.db2.gz KJOUEPPRFKMOSR-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246508330 388641137 /nfs/dbraw/zinc/64/11/37/388641137.db2.gz KJOUEPPRFKMOSR-NXEZZACHSA-N 1 2 224.308 0.408 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124147954 388661288 /nfs/dbraw/zinc/66/12/88/388661288.db2.gz SUKQCRGLQFTBPX-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124147954 388661290 /nfs/dbraw/zinc/66/12/90/388661290.db2.gz SUKQCRGLQFTBPX-SNVBAGLBSA-N 1 2 210.281 0.162 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191536342 388664986 /nfs/dbraw/zinc/66/49/86/388664986.db2.gz PSSQAMIJUSYYJV-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO CCC[C@@](C)([NH2+]CC1(CO)COC1)C(=O)OC ZINC000089126654 388736248 /nfs/dbraw/zinc/73/62/48/388736248.db2.gz HKUCJENDXDIDHM-LLVKDONJSA-N 1 2 245.319 0.317 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCn2nccc21 ZINC000552780868 388736751 /nfs/dbraw/zinc/73/67/51/388736751.db2.gz UPRFOPJHTDEMPT-UHFFFAOYSA-N 1 2 245.286 0.596 20 0 BCADLO C[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000552761503 388737062 /nfs/dbraw/zinc/73/70/62/388737062.db2.gz VENZZGAHUURCKS-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538932178 388742177 /nfs/dbraw/zinc/74/21/77/388742177.db2.gz OXHFZAAFZHVSLS-ONGXEEELSA-N 1 2 235.287 0.691 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000522268902 388742557 /nfs/dbraw/zinc/74/25/57/388742557.db2.gz MSNARDOGSDTATH-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000522268902 388742560 /nfs/dbraw/zinc/74/25/60/388742560.db2.gz MSNARDOGSDTATH-JTQLQIEISA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194902353 388746366 /nfs/dbraw/zinc/74/63/66/388746366.db2.gz GOPMZPJIZQAFTP-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194902353 388746368 /nfs/dbraw/zinc/74/63/68/388746368.db2.gz GOPMZPJIZQAFTP-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CCOC(=O)CN(CC)Cc1c[nH+]cn1C ZINC000090233444 388746552 /nfs/dbraw/zinc/74/65/52/388746552.db2.gz KFKRDXRFJFSONV-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nncn2C)CC[C@H]1C ZINC000251505734 388747911 /nfs/dbraw/zinc/74/79/11/388747911.db2.gz BWRMYWPWDZGEEX-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1C ZINC000251505734 388747912 /nfs/dbraw/zinc/74/79/12/388747912.db2.gz BWRMYWPWDZGEEX-NXEZZACHSA-N 1 2 224.308 0.672 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2CNC(=O)C2)c1Cl ZINC000225826840 388690771 /nfs/dbraw/zinc/69/07/71/388690771.db2.gz GRPJUZJPODZMMJ-BYPYZUCNSA-N 1 2 227.655 0.013 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2CNC(=O)C2)c1Cl ZINC000225826840 388690773 /nfs/dbraw/zinc/69/07/73/388690773.db2.gz GRPJUZJPODZMMJ-BYPYZUCNSA-N 1 2 227.655 0.013 20 0 BCADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC000126268023 388692925 /nfs/dbraw/zinc/69/29/25/388692925.db2.gz IITLUNFXLWXHTH-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC000126268023 388692929 /nfs/dbraw/zinc/69/29/29/388692929.db2.gz IITLUNFXLWXHTH-QLJPJBMISA-N 1 2 246.376 0.308 20 0 BCADLO CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)C(=O)OC ZINC000248798130 388694192 /nfs/dbraw/zinc/69/41/92/388694192.db2.gz ZMHFQEMMBAKAPF-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)[C@H](C)O ZINC000249030059 388704427 /nfs/dbraw/zinc/70/44/27/388704427.db2.gz LNGUIGRBUPCTKZ-AXTSPUMRSA-N 1 2 215.293 0.687 20 0 BCADLO CC(C)(C)OCC[N@@H+]1CCNC(=O)C1 ZINC000065949431 388706953 /nfs/dbraw/zinc/70/69/53/388706953.db2.gz OFPBGDFVJJBVRM-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CC(C)(C)OCC[N@H+]1CCNC(=O)C1 ZINC000065949431 388706956 /nfs/dbraw/zinc/70/69/56/388706956.db2.gz OFPBGDFVJJBVRM-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccon1 ZINC000195387367 388707411 /nfs/dbraw/zinc/70/74/11/388707411.db2.gz NUAHLUVYOTUUQZ-UHFFFAOYSA-N 1 2 206.205 0.301 20 0 BCADLO CC[C@@H](C)C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000649055636 388756471 /nfs/dbraw/zinc/75/64/71/388756471.db2.gz PFRWGVSZYJQBIL-GHMZBOCLSA-N 1 2 239.319 0.796 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC000193976354 388720475 /nfs/dbraw/zinc/72/04/75/388720475.db2.gz XAAITTMSASVXAT-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC000193976354 388720476 /nfs/dbraw/zinc/72/04/76/388720476.db2.gz XAAITTMSASVXAT-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NCCC[N@@H+](C)Cc1ncc[nH]1 ZINC000117888225 388725971 /nfs/dbraw/zinc/72/59/71/388725971.db2.gz VMBHTRBKJMFZND-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CC(=O)NCCC[N@H+](C)Cc1ncc[nH]1 ZINC000117888225 388725974 /nfs/dbraw/zinc/72/59/74/388725974.db2.gz VMBHTRBKJMFZND-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000249597945 388729988 /nfs/dbraw/zinc/72/99/88/388729988.db2.gz XIXTVJQPLJLUMN-RKDXNWHRSA-N 1 2 222.292 0.262 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)CC[C@H]1O ZINC000249597945 388729991 /nfs/dbraw/zinc/72/99/91/388729991.db2.gz XIXTVJQPLJLUMN-RKDXNWHRSA-N 1 2 222.292 0.262 20 0 BCADLO CCn1c(=O)[nH]nc1SCc1[nH+]ccn1C ZINC000194345253 388730162 /nfs/dbraw/zinc/73/01/62/388730162.db2.gz QWGDSFQQJDBBFR-UHFFFAOYSA-N 1 2 239.304 0.617 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)CC2CC2)CCO1 ZINC000523052718 388793784 /nfs/dbraw/zinc/79/37/84/388793784.db2.gz PETXIKUYDGLGHQ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)CC2CC2)CCO1 ZINC000523052718 388793790 /nfs/dbraw/zinc/79/37/90/388793790.db2.gz PETXIKUYDGLGHQ-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO O=S(=O)(NCCCCn1cc[nH+]c1)C1CC1 ZINC000540475090 388808696 /nfs/dbraw/zinc/80/86/96/388808696.db2.gz CXBFPRMDHNJAIT-UHFFFAOYSA-N 1 2 243.332 0.745 20 0 BCADLO CCOC(=O)N1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000227872734 388761909 /nfs/dbraw/zinc/76/19/09/388761909.db2.gz YAPATQFDFGAZQV-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2ncc[nH]2)C1 ZINC000553426365 388770128 /nfs/dbraw/zinc/77/01/28/388770128.db2.gz DNJOJRPNHQTENN-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cscn1 ZINC000128728543 388788579 /nfs/dbraw/zinc/78/85/79/388788579.db2.gz WYVICICKNFZLHW-UHFFFAOYSA-N 1 2 222.273 0.839 20 0 BCADLO CCCCn1nnnc1COCc1[nH]cc[nH+]1 ZINC000553847640 388791246 /nfs/dbraw/zinc/79/12/46/388791246.db2.gz XCEWVQVGKFWADD-UHFFFAOYSA-N 1 2 236.279 0.913 20 0 BCADLO CCN1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000540902458 388824078 /nfs/dbraw/zinc/82/40/78/388824078.db2.gz YYRVIRBAVAVULW-NSHDSACASA-N 1 2 225.336 0.245 20 0 BCADLO CC[N@H+](CCc1ccnn1C)CC(=O)OC ZINC000230886032 388831647 /nfs/dbraw/zinc/83/16/47/388831647.db2.gz XEEWSEJTFAJLJR-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO CC[N@@H+](CCc1ccnn1C)CC(=O)OC ZINC000230886032 388831651 /nfs/dbraw/zinc/83/16/51/388831651.db2.gz XEEWSEJTFAJLJR-UHFFFAOYSA-N 1 2 225.292 0.458 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1C2CCC1CC2 ZINC000540960658 388832297 /nfs/dbraw/zinc/83/22/97/388832297.db2.gz OFUJYLFPELOKHL-VQXHTEKXSA-N 1 2 224.304 0.470 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1C2CCC1CC2 ZINC000540960658 388832302 /nfs/dbraw/zinc/83/23/02/388832302.db2.gz OFUJYLFPELOKHL-VQXHTEKXSA-N 1 2 224.304 0.470 20 0 BCADLO CN(C)S(=O)(=O)CC[NH2+]Cc1cscn1 ZINC000230994080 388833347 /nfs/dbraw/zinc/83/33/47/388833347.db2.gz AWVUQWXFRPFWIH-UHFFFAOYSA-N 1 2 249.361 0.124 20 0 BCADLO CNC(=O)CCC[N@H+](CCO)CC(F)F ZINC000231344377 388836847 /nfs/dbraw/zinc/83/68/47/388836847.db2.gz VONWRMNZNDVLMF-UHFFFAOYSA-N 1 2 224.251 0.072 20 0 BCADLO CNC(=O)CCC[N@@H+](CCO)CC(F)F ZINC000231344377 388836848 /nfs/dbraw/zinc/83/68/48/388836848.db2.gz VONWRMNZNDVLMF-UHFFFAOYSA-N 1 2 224.251 0.072 20 0 BCADLO COCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523375219 388836977 /nfs/dbraw/zinc/83/69/77/388836977.db2.gz OTGVZMBMUBUECP-UHFFFAOYSA-N 1 2 247.258 0.039 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523440893 388840051 /nfs/dbraw/zinc/84/00/51/388840051.db2.gz AUPYDQBKBVRNBS-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523440893 388840054 /nfs/dbraw/zinc/84/00/54/388840054.db2.gz AUPYDQBKBVRNBS-MNOVXSKESA-N 1 2 228.336 0.869 20 0 BCADLO CCc1ncncc1C(=O)NCc1c[nH+]cn1C ZINC000555109561 388840518 /nfs/dbraw/zinc/84/05/18/388840518.db2.gz SMCYPHNJRQRTTE-UHFFFAOYSA-N 1 2 245.286 0.703 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000555523131 388851391 /nfs/dbraw/zinc/85/13/91/388851391.db2.gz MENAJTLHBMMJIY-QMMMGPOBSA-N 1 2 209.249 0.367 20 0 BCADLO CCCOCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523748816 388858107 /nfs/dbraw/zinc/85/81/07/388858107.db2.gz IRFRGYHMTYYBJO-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCOCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523748816 388858110 /nfs/dbraw/zinc/85/81/10/388858110.db2.gz IRFRGYHMTYYBJO-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CC1=C[C@H](C)C[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000555694809 388860042 /nfs/dbraw/zinc/86/00/42/388860042.db2.gz XJOQXMQBNXFDLY-ZETCQYMHSA-N 1 2 234.307 0.095 20 0 BCADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000555694809 388860044 /nfs/dbraw/zinc/86/00/44/388860044.db2.gz XJOQXMQBNXFDLY-ZETCQYMHSA-N 1 2 234.307 0.095 20 0 BCADLO CN1CC[C@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000556085053 388866855 /nfs/dbraw/zinc/86/68/55/388866855.db2.gz KLRMZXOQXJFGCS-NSHDSACASA-N 1 2 217.272 0.628 20 0 BCADLO CN1CC[C@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000556085053 388866860 /nfs/dbraw/zinc/86/68/60/388866860.db2.gz KLRMZXOQXJFGCS-NSHDSACASA-N 1 2 217.272 0.628 20 0 BCADLO CCn1nccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000556177365 388869055 /nfs/dbraw/zinc/86/90/55/388869055.db2.gz SJHAMNGXTRQJTC-UHFFFAOYSA-N 1 2 241.276 0.427 20 0 BCADLO COCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129742442 388869389 /nfs/dbraw/zinc/86/93/89/388869389.db2.gz DBWIEPKMFWGDLK-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO COCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129742442 388869391 /nfs/dbraw/zinc/86/93/91/388869391.db2.gz DBWIEPKMFWGDLK-VIFPVBQESA-N 1 2 203.282 0.905 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](C)O[C@@H](CO)C1 ZINC000230005919 388873954 /nfs/dbraw/zinc/87/39/54/388873954.db2.gz HRZSPKOHYSHLJH-NXEZZACHSA-N 1 2 238.287 0.676 20 0 BCADLO CCn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000564640035 388882254 /nfs/dbraw/zinc/88/22/54/388882254.db2.gz CMXDONLLVPZRCU-UHFFFAOYSA-N 1 2 219.248 0.738 20 0 BCADLO Cc1nc(C[N@H+](C)CC[C@H]2CCNC2=O)no1 ZINC000564702004 388884613 /nfs/dbraw/zinc/88/46/13/388884613.db2.gz YMGXHQNGIIOTBX-SECBINFHSA-N 1 2 238.291 0.336 20 0 BCADLO Cc1nc(C[N@@H+](C)CC[C@H]2CCNC2=O)no1 ZINC000564702004 388884616 /nfs/dbraw/zinc/88/46/16/388884616.db2.gz YMGXHQNGIIOTBX-SECBINFHSA-N 1 2 238.291 0.336 20 0 BCADLO C[C@H]1SCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000649174359 388891038 /nfs/dbraw/zinc/89/10/38/388891038.db2.gz GPLMYPYMRPMPKW-BDAKNGLRSA-N 1 2 225.317 0.893 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)COC(C)C ZINC000564843847 388892645 /nfs/dbraw/zinc/89/26/45/388892645.db2.gz GBCVJPCVIVTFJV-LLVKDONJSA-N 1 2 227.308 0.594 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncccc2O)C[C@H](CO)O1 ZINC000572562979 388895403 /nfs/dbraw/zinc/89/54/03/388895403.db2.gz JZNJFCYAUUKCMZ-NXEZZACHSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)C[C@H](CO)O1 ZINC000572562979 388895407 /nfs/dbraw/zinc/89/54/07/388895407.db2.gz JZNJFCYAUUKCMZ-NXEZZACHSA-N 1 2 238.287 0.369 20 0 BCADLO Cn1nc(C2CC2)nc1Cn1cc[nH+]c1 ZINC000564899351 388896726 /nfs/dbraw/zinc/89/67/26/388896726.db2.gz ZPPIJAMEGRQAOM-UHFFFAOYSA-N 1 2 203.249 0.937 20 0 BCADLO Nc1nc(Cl)cc(N2CCOCCN2)[nH+]1 ZINC000288849260 388896947 /nfs/dbraw/zinc/89/69/47/388896947.db2.gz DESDXLWGVCATPX-UHFFFAOYSA-N 1 2 229.671 0.053 20 0 BCADLO Cc1nnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n1C ZINC000565196860 388924149 /nfs/dbraw/zinc/92/41/49/388924149.db2.gz ZUUVWFYTEKXQPU-QMMMGPOBSA-N 1 2 237.307 0.402 20 0 BCADLO Cc1cc(NC(=O)N(C)CCCO)c(C)c[nH+]1 ZINC000565415061 388943459 /nfs/dbraw/zinc/94/34/59/388943459.db2.gz LVQWUKFPOGXFSR-UHFFFAOYSA-N 1 2 237.303 0.966 20 0 BCADLO CCc1nc(C(=O)N2CCn3c[nH+]cc3C2)no1 ZINC000565513912 388949969 /nfs/dbraw/zinc/94/99/69/388949969.db2.gz QONPBILNXYQQRF-UHFFFAOYSA-N 1 2 247.258 0.485 20 0 BCADLO C[C@@H](C(=O)NCC(F)F)[NH+]1CCSCC1 ZINC000153204965 388950164 /nfs/dbraw/zinc/95/01/64/388950164.db2.gz ATWYLBAELFKDMM-ZETCQYMHSA-N 1 2 238.303 0.805 20 0 BCADLO CCOCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000565499449 388950394 /nfs/dbraw/zinc/95/03/94/388950394.db2.gz SQTBOROAELUUIZ-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CCOC(C)C ZINC000566106722 388987978 /nfs/dbraw/zinc/98/79/78/388987978.db2.gz XTOLKRAJAFNFEE-LBPRGKRZSA-N 1 2 241.335 0.984 20 0 BCADLO NS(=O)(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000264838016 388992624 /nfs/dbraw/zinc/99/26/24/388992624.db2.gz GCDBAEUVFZUCSH-UHFFFAOYSA-N 1 2 242.304 0.054 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000348869359 177649732 /nfs/dbraw/zinc/64/97/32/177649732.db2.gz MUUACWFNLDYCHA-UWVGGRQHSA-N 1 2 247.298 0.665 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000264722317 388992637 /nfs/dbraw/zinc/99/26/37/388992637.db2.gz PDVAYPAFANRIFG-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000264722317 388992639 /nfs/dbraw/zinc/99/26/39/388992639.db2.gz PDVAYPAFANRIFG-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)no1 ZINC000266987920 388997896 /nfs/dbraw/zinc/99/78/96/388997896.db2.gz TWDMSFJLVCCXOJ-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cnccn1 ZINC000271383810 389019364 /nfs/dbraw/zinc/01/93/64/389019364.db2.gz UBLHGDQVBJOIPO-UHFFFAOYSA-N 1 2 209.249 0.124 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000271383810 389019371 /nfs/dbraw/zinc/01/93/71/389019371.db2.gz UBLHGDQVBJOIPO-UHFFFAOYSA-N 1 2 209.249 0.124 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccc(O)c1 ZINC000271849485 389025443 /nfs/dbraw/zinc/02/54/43/389025443.db2.gz WBJBDSKQBVKLRU-SSDOTTSWSA-N 1 2 234.259 0.654 20 0 BCADLO CC(C)(O)CCNC(=O)CCn1cc[nH+]c1 ZINC000274994235 389051773 /nfs/dbraw/zinc/05/17/73/389051773.db2.gz VOCLLGLFUBSJBF-UHFFFAOYSA-N 1 2 225.292 0.550 20 0 BCADLO COC(=O)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492759243 533232271 /nfs/dbraw/zinc/23/22/71/533232271.db2.gz BPVAHQNHKIGHOH-ARJAWSKDSA-N 1 2 249.270 0.635 20 0 BCADLO CCN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106583401 169684077 /nfs/dbraw/zinc/68/40/77/169684077.db2.gz ADPOVZJPJHZOKL-LLVKDONJSA-N 1 2 242.367 0.284 20 0 BCADLO CC(C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000035103017 322822931 /nfs/dbraw/zinc/82/29/31/322822931.db2.gz OWZZXIYWYGTRDJ-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493435594 533510774 /nfs/dbraw/zinc/51/07/74/533510774.db2.gz UGTRFEQXDSLWHT-MMCMULPCSA-N 1 2 249.270 0.491 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308344486 533536433 /nfs/dbraw/zinc/53/64/33/533536433.db2.gz MEVHUYZKYFIIRV-BDAKNGLRSA-N 1 2 213.277 0.707 20 0 BCADLO CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886951 168238703 /nfs/dbraw/zinc/23/87/03/168238703.db2.gz FFLCNOQCCIBPJQ-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO C[C@@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904785 533624957 /nfs/dbraw/zinc/62/49/57/533624957.db2.gz XUCVZMZCBVAKGL-XADBCAIWSA-N 1 2 223.276 0.558 20 0 BCADLO CNC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000268295510 132191849 /nfs/dbraw/zinc/19/18/49/132191849.db2.gz FRAGFWBMCZVMEQ-UHFFFAOYSA-N 1 2 248.330 0.258 20 0 BCADLO C[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277354120 132207350 /nfs/dbraw/zinc/20/73/50/132207350.db2.gz GNDNNVUIQDZTAF-VIFPVBQESA-N 1 2 238.291 0.106 20 0 BCADLO C[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277354120 132207351 /nfs/dbraw/zinc/20/73/51/132207351.db2.gz GNDNNVUIQDZTAF-VIFPVBQESA-N 1 2 238.291 0.106 20 0 BCADLO Cc1cc(N2CCC(CC(N)=O)CC2)nc[nH+]1 ZINC000301235315 132223487 /nfs/dbraw/zinc/22/34/87/132223487.db2.gz JYCWEZJYAUUGNZ-UHFFFAOYSA-N 1 2 234.303 0.877 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1c1cc[nH+]c(C2CC2)n1 ZINC000131810264 132236276 /nfs/dbraw/zinc/23/62/76/132236276.db2.gz ZEDHGBIAZQTGCZ-GXSJLCMTSA-N 1 2 249.314 0.940 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CCNC(=O)C3)c2C1 ZINC000329320584 132244169 /nfs/dbraw/zinc/24/41/69/132244169.db2.gz DZUAVJXCVIUGAK-UHFFFAOYSA-N 1 2 247.302 0.241 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CCNC(=O)C3)c2C1 ZINC000329320584 132244171 /nfs/dbraw/zinc/24/41/71/132244171.db2.gz DZUAVJXCVIUGAK-UHFFFAOYSA-N 1 2 247.302 0.241 20 0 BCADLO Cc1nc2n(n1)CCN(c1cc(C)[nH+]cn1)C2 ZINC000329512345 132244582 /nfs/dbraw/zinc/24/45/82/132244582.db2.gz LADBCLFAQYIIIZ-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO Cc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)nc[nH+]1 ZINC000301247574 132252225 /nfs/dbraw/zinc/25/22/25/132252225.db2.gz QQCNSLMMIHGHBR-VHSXEESVSA-N 1 2 234.303 0.875 20 0 BCADLO Cc1cc(N2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301275952 132252792 /nfs/dbraw/zinc/25/27/92/132252792.db2.gz WNVBGBOQOVREOC-SECBINFHSA-N 1 2 220.276 0.487 20 0 BCADLO Cc1nc(N2CCNC(=O)C2)c(C)c(C)[nH+]1 ZINC000301431707 132253698 /nfs/dbraw/zinc/25/36/98/132253698.db2.gz GVXDCTVMBGWMNH-UHFFFAOYSA-N 1 2 220.276 0.338 20 0 BCADLO O=C1NC[C@H]2CN(c3cccc[nH+]3)CC[C@@H]12 ZINC000377330787 132289414 /nfs/dbraw/zinc/28/94/14/132289414.db2.gz OEGHQZNPNRCWHD-VHSXEESVSA-N 1 2 217.272 0.654 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@H](O)C2)c1Cl ZINC000227841016 132291903 /nfs/dbraw/zinc/29/19/03/132291903.db2.gz YTZZAYQHDUIHRK-LURJTMIESA-N 1 2 228.683 0.673 20 0 BCADLO Nc1nc[nH+]c(N2CCC[C@H](O)C2)c1Cl ZINC000227841016 132291904 /nfs/dbraw/zinc/29/19/04/132291904.db2.gz YTZZAYQHDUIHRK-LURJTMIESA-N 1 2 228.683 0.673 20 0 BCADLO Cc1ccc(C)c(N2CC[NH+](CC(N)=O)CC2)c1 ZINC000004926386 132316964 /nfs/dbraw/zinc/31/69/64/132316964.db2.gz HWJLDIJZYITQKK-UHFFFAOYSA-N 1 2 247.342 0.911 20 0 BCADLO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)nc[nH+]1 ZINC000221206780 132346973 /nfs/dbraw/zinc/34/69/73/132346973.db2.gz FHGGQDLJAIAXJQ-SCZZXKLOSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1cc(N2C[C@H](C)O[C@H](CO)C2)nc[nH+]1 ZINC000299914266 132361706 /nfs/dbraw/zinc/36/17/06/132361706.db2.gz QCCRLVFVROKTHH-UWVGGRQHSA-N 1 2 223.276 0.371 20 0 BCADLO Cc1nc(N2CCS(=O)(=O)[C@@H](C)C2)cc[nH+]1 ZINC000172762026 132446280 /nfs/dbraw/zinc/44/62/80/132446280.db2.gz CZLGWNPYJCPTKY-QMMMGPOBSA-N 1 2 241.316 0.408 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000407970546 133454621 /nfs/dbraw/zinc/45/46/21/133454621.db2.gz BQBCKZQUKYWDDX-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC000407970546 133454622 /nfs/dbraw/zinc/45/46/22/133454622.db2.gz BQBCKZQUKYWDDX-NXEZZACHSA-N 1 2 241.335 0.097 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2noc(C)n2)[C@H]1C ZINC000347202097 133812570 /nfs/dbraw/zinc/81/25/70/133812570.db2.gz KAMPNUXXKWDEPH-CBAPKCEASA-N 1 2 239.275 0.761 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2noc(C)n2)[C@H]1C ZINC000347202097 133812571 /nfs/dbraw/zinc/81/25/71/133812571.db2.gz KAMPNUXXKWDEPH-CBAPKCEASA-N 1 2 239.275 0.761 20 0 BCADLO Cn1nccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000349664840 133901489 /nfs/dbraw/zinc/90/14/89/133901489.db2.gz IGNNDTPAUDFBFD-UHFFFAOYSA-N 1 2 247.306 0.106 20 0 BCADLO C[C@@H](C(=O)N1CC[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000335925527 134008692 /nfs/dbraw/zinc/00/86/92/134008692.db2.gz ZJWRUVOOSXCNBJ-NEPJUHHUSA-N 1 2 239.363 0.491 20 0 BCADLO C[C@H](C(=O)N1CC[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000335925528 134008850 /nfs/dbraw/zinc/00/88/50/134008850.db2.gz ZJWRUVOOSXCNBJ-NWDGAFQWSA-N 1 2 239.363 0.491 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335946673 134020302 /nfs/dbraw/zinc/02/03/02/134020302.db2.gz CEIJHHWKPYZDLN-BDAKNGLRSA-N 1 2 237.303 0.669 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CCC1CC1 ZINC000335948273 134020983 /nfs/dbraw/zinc/02/09/83/134020983.db2.gz QHLHDCZQDRPCMJ-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CCC1CC1 ZINC000335948273 134020984 /nfs/dbraw/zinc/02/09/84/134020984.db2.gz QHLHDCZQDRPCMJ-JTQLQIEISA-N 1 2 246.376 0.752 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CCC1CC1 ZINC000335948274 134021138 /nfs/dbraw/zinc/02/11/38/134021138.db2.gz QHLHDCZQDRPCMJ-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CCC1CC1 ZINC000335948274 134021139 /nfs/dbraw/zinc/02/11/39/134021139.db2.gz QHLHDCZQDRPCMJ-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO CN(CC[N@H+](C)C1CC1)Cc1n[nH]c(=O)[nH]1 ZINC000351962439 134021401 /nfs/dbraw/zinc/02/14/01/134021401.db2.gz WGLOBSUTVWXZOH-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO CN(CC[N@@H+](C)C1CC1)Cc1n[nH]c(=O)[nH]1 ZINC000351962439 134021402 /nfs/dbraw/zinc/02/14/02/134021402.db2.gz WGLOBSUTVWXZOH-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO C[C@]1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335952487 134022035 /nfs/dbraw/zinc/02/20/35/134022035.db2.gz YYPAJQWFWGLFCT-MFKMUULPSA-N 1 2 249.314 0.429 20 0 BCADLO O=C(C[N@H+]1CCC[C@](F)(CO)C1)N1CCC1 ZINC000335959372 134024230 /nfs/dbraw/zinc/02/42/30/134024230.db2.gz RBAPGBAHFXKUQI-LLVKDONJSA-N 1 2 230.283 0.015 20 0 BCADLO O=C(C[N@@H+]1CCC[C@](F)(CO)C1)N1CCC1 ZINC000335959372 134024231 /nfs/dbraw/zinc/02/42/31/134024231.db2.gz RBAPGBAHFXKUQI-LLVKDONJSA-N 1 2 230.283 0.015 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000335969529 134029193 /nfs/dbraw/zinc/02/91/93/134029193.db2.gz ACGYAWAWMYHEPD-UWVGGRQHSA-N 1 2 213.256 0.325 20 0 BCADLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000335969529 134029194 /nfs/dbraw/zinc/02/91/94/134029194.db2.gz ACGYAWAWMYHEPD-UWVGGRQHSA-N 1 2 213.256 0.325 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCCN2c1cccc[nH+]1 ZINC000335979561 134032552 /nfs/dbraw/zinc/03/25/52/134032552.db2.gz QTOHJBZUALYEHK-NXEZZACHSA-N 1 2 217.272 0.796 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C)CCC1(F)F ZINC000352019842 134037252 /nfs/dbraw/zinc/03/72/52/134037252.db2.gz WGYQNAXCGYNVCP-SSDOTTSWSA-N 1 2 231.250 0.687 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)CCC1(F)F ZINC000352019842 134037253 /nfs/dbraw/zinc/03/72/53/134037253.db2.gz WGYQNAXCGYNVCP-SSDOTTSWSA-N 1 2 231.250 0.687 20 0 BCADLO Cc1cc(NC(=O)N(C)C2CC(O)C2)cc[nH+]1 ZINC000336003434 134048163 /nfs/dbraw/zinc/04/81/63/134048163.db2.gz IGOHKYSOQWPROW-UHFFFAOYSA-N 1 2 235.287 0.799 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cccn2)CC[S@@]1=O ZINC000336008873 134050070 /nfs/dbraw/zinc/05/00/70/134050070.db2.gz WMFCYGKSBGHLNV-BMIGLBTASA-N 1 2 227.333 0.336 20 0 BCADLO CN(C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21)C1CC1 ZINC000336037140 134060342 /nfs/dbraw/zinc/06/03/42/134060342.db2.gz KKHSSDQMTSRFIP-VXGBXAGGSA-N 1 2 238.331 0.861 20 0 BCADLO CN(C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21)C1CC1 ZINC000336037140 134060343 /nfs/dbraw/zinc/06/03/43/134060343.db2.gz KKHSSDQMTSRFIP-VXGBXAGGSA-N 1 2 238.331 0.861 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CCC3)C[C@@H]21 ZINC000336051164 134064737 /nfs/dbraw/zinc/06/47/37/134064737.db2.gz MHYZDPZSOREEHC-QWRGUYRKSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NC3CCC3)C[C@@H]21 ZINC000336051164 134064738 /nfs/dbraw/zinc/06/47/38/134064738.db2.gz MHYZDPZSOREEHC-QWRGUYRKSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+](Cc1ccc(F)cn1)[C@@H]1CCNC1=O ZINC000336051959 134064940 /nfs/dbraw/zinc/06/49/40/134064940.db2.gz CJRQXTDNBFBHSV-SNVBAGLBSA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCNC1=O ZINC000336051959 134064941 /nfs/dbraw/zinc/06/49/41/134064941.db2.gz CJRQXTDNBFBHSV-SNVBAGLBSA-N 1 2 223.251 0.541 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[S@@]1=O ZINC000336089882 134077985 /nfs/dbraw/zinc/07/79/85/134077985.db2.gz ZTYPLCOWMKRLSL-IEVQFXQGSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CCC1 ZINC000336095810 134079926 /nfs/dbraw/zinc/07/99/26/134079926.db2.gz QQDQTHDXVIUZAA-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N1CCC1 ZINC000336095810 134079927 /nfs/dbraw/zinc/07/99/27/134079927.db2.gz QQDQTHDXVIUZAA-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C([C@@H]1CCC[C@@H](O)C1)N1CCn2c[nH+]cc2C1 ZINC000336104382 134084701 /nfs/dbraw/zinc/08/47/01/134084701.db2.gz BVMUBSBKGLZVGN-ZYHUDNBSSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1ncc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000352203186 134102796 /nfs/dbraw/zinc/10/27/96/134102796.db2.gz PVRSMBIFCRSLPE-UHFFFAOYSA-N 1 2 232.247 0.830 20 0 BCADLO Cc1cc[nH]c1C(=O)NCc1[nH]cc[nH+]1 ZINC000336154751 134105313 /nfs/dbraw/zinc/10/53/13/134105313.db2.gz FWOQIXLPFMVGGX-UHFFFAOYSA-N 1 2 204.233 0.976 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CO ZINC000336162100 134111488 /nfs/dbraw/zinc/11/14/88/134111488.db2.gz VWHREPKLUMYYER-IUCAKERBSA-N 1 2 213.256 0.325 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(=O)NC)CC1 ZINC000336168722 134114457 /nfs/dbraw/zinc/11/44/57/134114457.db2.gz KHFAOKRDSUYNOM-SECBINFHSA-N 1 2 217.288 0.692 20 0 BCADLO Cn1ccc(C[N@@H+]2CCn3ncnc3C2)c1 ZINC000336218184 134138138 /nfs/dbraw/zinc/13/81/38/134138138.db2.gz SSNMGWRAZFHPFO-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1ccc(C[N@H+]2CCn3ncnc3C2)c1 ZINC000336218184 134138139 /nfs/dbraw/zinc/13/81/39/134138139.db2.gz SSNMGWRAZFHPFO-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO C[C@@H](CCO)CNC(=O)CCn1cc[nH+]c1 ZINC000085132487 134223570 /nfs/dbraw/zinc/22/35/70/134223570.db2.gz DJGYITJVZVHKLT-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO CCOC(=O)COCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000169136901 134249727 /nfs/dbraw/zinc/24/97/27/134249727.db2.gz RHYLLKZWMRIRRX-JTQLQIEISA-N 1 2 243.303 0.477 20 0 BCADLO CCOC(=O)COCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000169136901 134249728 /nfs/dbraw/zinc/24/97/28/134249728.db2.gz RHYLLKZWMRIRRX-JTQLQIEISA-N 1 2 243.303 0.477 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250515 134252341 /nfs/dbraw/zinc/25/23/41/134252341.db2.gz IUXXBYKOOKHZSV-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ccc(C(C)=O)[nH]2)CC1 ZINC000170257827 134252392 /nfs/dbraw/zinc/25/23/92/134252392.db2.gz VXLUDESGWLJDQE-UHFFFAOYSA-N 1 2 249.314 0.995 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250622 134252593 /nfs/dbraw/zinc/25/25/93/134252593.db2.gz NTLYADBKFSIIPZ-ZETCQYMHSA-N 1 2 232.247 0.202 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000170917010 134255568 /nfs/dbraw/zinc/25/55/68/134255568.db2.gz MZPYGMLAAQLEMG-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000170917010 134255569 /nfs/dbraw/zinc/25/55/69/134255569.db2.gz MZPYGMLAAQLEMG-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO c1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)no1 ZINC000173942344 134277051 /nfs/dbraw/zinc/27/70/51/134277051.db2.gz JALURBROQNWMOH-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)no1 ZINC000173942344 134277052 /nfs/dbraw/zinc/27/70/52/134277052.db2.gz JALURBROQNWMOH-LBPRGKRZSA-N 1 2 237.303 0.581 20 0 BCADLO C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173803616 134277621 /nfs/dbraw/zinc/27/76/21/134277621.db2.gz RUFYUBXDTWCQGS-PWSUYJOCSA-N 1 2 238.331 0.576 20 0 BCADLO CNC(=O)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000175024461 134284539 /nfs/dbraw/zinc/28/45/39/134284539.db2.gz JCCRHWLWEJVSNX-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C1CC1 ZINC000175247355 134286547 /nfs/dbraw/zinc/28/65/47/134286547.db2.gz YNHCRXZPXMWXES-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO CN(CC(=O)NC(C)(C)C)Cc1c[nH+]cn1C ZINC000176990946 134295281 /nfs/dbraw/zinc/29/52/81/134295281.db2.gz PIZPMAXFONQHQA-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cn[nH]c1 ZINC000178058989 134302722 /nfs/dbraw/zinc/30/27/22/134302722.db2.gz MAHFGOJSMYVELI-UHFFFAOYSA-N 1 2 241.254 0.987 20 0 BCADLO O=C(C[C@@H]1C=CCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178726316 134310672 /nfs/dbraw/zinc/31/06/72/134310672.db2.gz FPCDNJFDGHLJBM-CHWSQXEVSA-N 1 2 249.358 0.459 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CC=CC1 ZINC000178613151 134312048 /nfs/dbraw/zinc/31/20/48/134312048.db2.gz FXEXUTBJWVKHSX-LBPRGKRZSA-N 1 2 235.331 0.069 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000178813434 134315491 /nfs/dbraw/zinc/31/54/91/134315491.db2.gz BEJXCWZVQOPICJ-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000178813434 134315492 /nfs/dbraw/zinc/31/54/92/134315492.db2.gz BEJXCWZVQOPICJ-JTQLQIEISA-N 1 2 229.276 0.229 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000179582049 134321665 /nfs/dbraw/zinc/32/16/65/134321665.db2.gz PNFBMEOSRFMELY-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000179582049 134321666 /nfs/dbraw/zinc/32/16/66/134321666.db2.gz PNFBMEOSRFMELY-LLVKDONJSA-N 1 2 236.319 0.914 20 0 BCADLO C[N@H+](Cc1nnc(C2CC2)[nH]1)CC(C)(C)O ZINC000180421031 134327421 /nfs/dbraw/zinc/32/74/21/134327421.db2.gz WYEGPIZSODBMDG-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO C[N@@H+](Cc1nnc(C2CC2)[nH]1)CC(C)(C)O ZINC000180421031 134327422 /nfs/dbraw/zinc/32/74/22/134327422.db2.gz WYEGPIZSODBMDG-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H](C)O1 ZINC000180291752 134328669 /nfs/dbraw/zinc/32/86/69/134328669.db2.gz DPGINKANOJBZKW-PHIMTYICSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H](C)O1 ZINC000180291752 134328670 /nfs/dbraw/zinc/32/86/70/134328670.db2.gz DPGINKANOJBZKW-PHIMTYICSA-N 1 2 240.347 0.964 20 0 BCADLO c1ncc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cn1 ZINC000180559411 134329801 /nfs/dbraw/zinc/32/98/01/134329801.db2.gz JFUPFQVOJXJRQG-QWHCGFSZSA-N 1 2 249.314 0.856 20 0 BCADLO c1ncc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cn1 ZINC000180559411 134329802 /nfs/dbraw/zinc/32/98/02/134329802.db2.gz JFUPFQVOJXJRQG-QWHCGFSZSA-N 1 2 249.314 0.856 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCCn1cc[nH+]c1 ZINC000180927522 134332433 /nfs/dbraw/zinc/33/24/33/134332433.db2.gz YQWGASVBMHRBIZ-UHFFFAOYSA-N 1 2 246.270 0.722 20 0 BCADLO CNC(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000225299474 134351973 /nfs/dbraw/zinc/35/19/73/134351973.db2.gz GVLVMUOCQNAAOE-UHFFFAOYSA-N 1 2 219.697 0.632 20 0 BCADLO O=C(C1CC(=O)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000183560391 134352429 /nfs/dbraw/zinc/35/24/29/134352429.db2.gz DEPVZJCVSWFIIV-LLVKDONJSA-N 1 2 247.298 0.853 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cncs1 ZINC000224927579 134352524 /nfs/dbraw/zinc/35/25/24/134352524.db2.gz GONBRDVFKZJXMQ-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cncs1 ZINC000224927579 134352525 /nfs/dbraw/zinc/35/25/25/134352525.db2.gz GONBRDVFKZJXMQ-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccncc1F ZINC000226225467 134361545 /nfs/dbraw/zinc/36/15/45/134361545.db2.gz XRTXXRRJWDUZLF-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)C(F)F ZINC000226576833 134366653 /nfs/dbraw/zinc/36/66/53/134366653.db2.gz LTGJZXSGWSMPFL-SSDOTTSWSA-N 1 2 205.208 0.434 20 0 BCADLO CC1(C)CC[C@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000184649212 134367274 /nfs/dbraw/zinc/36/72/74/134367274.db2.gz SMLOUSLPBHATBR-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CC1(C)CC[C@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000184649212 134367275 /nfs/dbraw/zinc/36/72/75/134367275.db2.gz SMLOUSLPBHATBR-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000185257677 134375863 /nfs/dbraw/zinc/37/58/63/134375863.db2.gz TUPKQSGXURRMDW-MRVPVSSYSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000185257677 134375864 /nfs/dbraw/zinc/37/58/64/134375864.db2.gz TUPKQSGXURRMDW-MRVPVSSYSA-N 1 2 226.280 0.092 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000227302129 134377695 /nfs/dbraw/zinc/37/76/95/134377695.db2.gz RYYAGSSQJPLFPC-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000227302129 134377696 /nfs/dbraw/zinc/37/76/96/134377696.db2.gz RYYAGSSQJPLFPC-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO O[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000227358803 134378841 /nfs/dbraw/zinc/37/88/41/134378841.db2.gz IDVUPWMZKYHWLC-GJMOJQLCSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000227358803 134378842 /nfs/dbraw/zinc/37/88/42/134378842.db2.gz IDVUPWMZKYHWLC-GJMOJQLCSA-N 1 2 225.210 0.773 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)n1 ZINC000227399658 134379118 /nfs/dbraw/zinc/37/91/18/134379118.db2.gz PJZZIXJFQVUBHF-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)n1 ZINC000227399658 134379119 /nfs/dbraw/zinc/37/91/19/134379119.db2.gz PJZZIXJFQVUBHF-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc2n1CCCC2 ZINC000227575648 134386260 /nfs/dbraw/zinc/38/62/60/134386260.db2.gz PJBOBEXDJGJOFY-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000227575648 134386263 /nfs/dbraw/zinc/38/62/63/134386263.db2.gz PJBOBEXDJGJOFY-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000408082435 134389457 /nfs/dbraw/zinc/38/94/57/134389457.db2.gz GRHQJSRJLVGDQM-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO CNC(=O)C(C)(C)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227771406 134393653 /nfs/dbraw/zinc/39/36/53/134393653.db2.gz UZTZKRDYWVROOW-VIFPVBQESA-N 1 2 242.319 0.300 20 0 BCADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccon1 ZINC000185912224 134396405 /nfs/dbraw/zinc/39/64/05/134396405.db2.gz ZHMPWNSFRGZGJO-LLVKDONJSA-N 1 2 223.276 0.905 20 0 BCADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccon1 ZINC000185912224 134396407 /nfs/dbraw/zinc/39/64/07/134396407.db2.gz ZHMPWNSFRGZGJO-LLVKDONJSA-N 1 2 223.276 0.905 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cscn1 ZINC000070651496 135005130 /nfs/dbraw/zinc/00/51/30/135005130.db2.gz MCVQYVCCHAUQGJ-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000248912318 135026652 /nfs/dbraw/zinc/02/66/52/135026652.db2.gz NHYOBMHENULEFY-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000248912318 135026655 /nfs/dbraw/zinc/02/66/55/135026655.db2.gz NHYOBMHENULEFY-GMTAPVOTSA-N 1 2 249.376 0.919 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCNC(=O)[C@H]2C)O1 ZINC000248970830 135028881 /nfs/dbraw/zinc/02/88/81/135028881.db2.gz SCHFLEKBGIOQLS-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCNC(=O)[C@H]2C)O1 ZINC000248970830 135028882 /nfs/dbraw/zinc/02/88/82/135028882.db2.gz SCHFLEKBGIOQLS-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)CO1 ZINC000249082074 135031942 /nfs/dbraw/zinc/03/19/42/135031942.db2.gz SPQXAXLYZCLHQV-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)CO1 ZINC000249082074 135031945 /nfs/dbraw/zinc/03/19/45/135031945.db2.gz SPQXAXLYZCLHQV-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249079598 135032251 /nfs/dbraw/zinc/03/22/51/135032251.db2.gz SGOVVVSKFBPWLI-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000249079598 135032252 /nfs/dbraw/zinc/03/22/52/135032252.db2.gz SGOVVVSKFBPWLI-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249373119 135036621 /nfs/dbraw/zinc/03/66/21/135036621.db2.gz FHDZJNNKIWVHCY-RKDXNWHRSA-N 1 2 222.292 0.463 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249373119 135036624 /nfs/dbraw/zinc/03/66/24/135036624.db2.gz FHDZJNNKIWVHCY-RKDXNWHRSA-N 1 2 222.292 0.463 20 0 BCADLO CCSCC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249313647 135043050 /nfs/dbraw/zinc/04/30/50/135043050.db2.gz FCIPJQXQWJQLDE-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CCSCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249313647 135043052 /nfs/dbraw/zinc/04/30/52/135043052.db2.gz FCIPJQXQWJQLDE-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC=CC1 ZINC000076958700 135053611 /nfs/dbraw/zinc/05/36/11/135053611.db2.gz PBHVXCKFWYOQNF-NSHDSACASA-N 1 2 238.331 0.790 20 0 BCADLO C[NH2+]CCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000237245239 135070215 /nfs/dbraw/zinc/07/02/15/135070215.db2.gz XKSARFUFCHUHIC-UHFFFAOYSA-N 1 2 233.275 0.896 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000086765619 135096398 /nfs/dbraw/zinc/09/63/98/135096398.db2.gz WDNSUKKALSFHDD-SSDOTTSWSA-N 1 2 213.306 0.946 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000086765619 135096400 /nfs/dbraw/zinc/09/64/00/135096400.db2.gz WDNSUKKALSFHDD-SSDOTTSWSA-N 1 2 213.306 0.946 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765844 135096666 /nfs/dbraw/zinc/09/66/66/135096666.db2.gz XILWXBCPULQLSY-QMMMGPOBSA-N 1 2 241.316 0.863 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(N)s1 ZINC000086765844 135096668 /nfs/dbraw/zinc/09/66/68/135096668.db2.gz XILWXBCPULQLSY-QMMMGPOBSA-N 1 2 241.316 0.863 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@@H](CO)C1 ZINC000086831659 135097372 /nfs/dbraw/zinc/09/73/72/135097372.db2.gz AYLLWAKESPCVTC-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO OC[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000086831784 135097688 /nfs/dbraw/zinc/09/76/88/135097688.db2.gz JBVGOJIJANUIET-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO OC[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000086831784 135097686 /nfs/dbraw/zinc/09/76/86/135097686.db2.gz JBVGOJIJANUIET-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261548655 135108776 /nfs/dbraw/zinc/10/87/76/135108776.db2.gz NTOFTSIPJYARIV-SFYZADRCSA-N 1 2 218.247 0.995 20 0 BCADLO Cc1nc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc[nH+]1 ZINC000252869016 135113705 /nfs/dbraw/zinc/11/37/05/135113705.db2.gz NONSYIMDTBUQGV-DCAQKATOSA-N 1 2 219.288 0.992 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252859036 135114353 /nfs/dbraw/zinc/11/43/53/135114353.db2.gz JCEVBGJSCHYUGA-SRVKXCTJSA-N 1 2 249.314 0.503 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253312418 135125951 /nfs/dbraw/zinc/12/59/51/135125951.db2.gz VWXUWXLBKNZYIA-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253312418 135125953 /nfs/dbraw/zinc/12/59/53/135125953.db2.gz VWXUWXLBKNZYIA-BDAKNGLRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCC1=O ZINC000253336127 135126088 /nfs/dbraw/zinc/12/60/88/135126088.db2.gz YETOQLGFXPJZAH-ZJUUUORDSA-N 1 2 224.304 0.566 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CCC1=O ZINC000253336127 135126089 /nfs/dbraw/zinc/12/60/89/135126089.db2.gz YETOQLGFXPJZAH-ZJUUUORDSA-N 1 2 224.304 0.566 20 0 BCADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000253601585 135127683 /nfs/dbraw/zinc/12/76/83/135127683.db2.gz UFGNVBIMTPHEAX-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](C)C2)C1 ZINC000253601585 135127684 /nfs/dbraw/zinc/12/76/84/135127684.db2.gz UFGNVBIMTPHEAX-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO Cn1cnc(CCNc2cccc[nH+]2)n1 ZINC000087416254 135129358 /nfs/dbraw/zinc/12/93/58/135129358.db2.gz OGIRUPASVYDXNF-UHFFFAOYSA-N 1 2 203.249 0.865 20 0 BCADLO CCNC(=O)C[NH+](CC(=O)NCC)CC(C)C ZINC000078604896 135130721 /nfs/dbraw/zinc/13/07/21/135130721.db2.gz TZQULMOECGHDMN-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CN1CCC[N@H+](Cc2ccco2)CC1=O ZINC000259476679 135142794 /nfs/dbraw/zinc/14/27/94/135142794.db2.gz YNFNXGPZBJUEHZ-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO CN1CCC[N@@H+](Cc2ccco2)CC1=O ZINC000259476679 135142795 /nfs/dbraw/zinc/14/27/95/135142795.db2.gz YNFNXGPZBJUEHZ-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](COC)C1CC1 ZINC000087479610 135143811 /nfs/dbraw/zinc/14/38/11/135143811.db2.gz RUPJJGWKOKLZOU-PSASIEDQSA-N 1 2 215.293 0.953 20 0 BCADLO C[C@H](CNC(=O)c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000267035638 135151099 /nfs/dbraw/zinc/15/10/99/135151099.db2.gz FCWSJKULFYMQFI-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169334 135167336 /nfs/dbraw/zinc/16/73/36/135167336.db2.gz IZDNDRCRQWCUJR-SSDOTTSWSA-N 1 2 249.261 0.691 20 0 BCADLO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353169334 135167337 /nfs/dbraw/zinc/16/73/37/135167337.db2.gz IZDNDRCRQWCUJR-SSDOTTSWSA-N 1 2 249.261 0.691 20 0 BCADLO Nc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)s1 ZINC000261534742 135167773 /nfs/dbraw/zinc/16/77/73/135167773.db2.gz MYLARKLTWUDVTR-VIFPVBQESA-N 1 2 231.296 0.632 20 0 BCADLO Nc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)s1 ZINC000261534742 135167775 /nfs/dbraw/zinc/16/77/75/135167775.db2.gz MYLARKLTWUDVTR-VIFPVBQESA-N 1 2 231.296 0.632 20 0 BCADLO [NH3+]CC(F)(F)CNS(=O)(=O)CCC1CC1 ZINC000261538751 135176908 /nfs/dbraw/zinc/17/69/08/135176908.db2.gz ZDKHARYBESSAHR-UHFFFAOYSA-N 1 2 242.291 0.300 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1csnn1 ZINC000084081820 135180929 /nfs/dbraw/zinc/18/09/29/135180929.db2.gz DPNGLJMFZAHMRN-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1csnn1 ZINC000084081820 135180931 /nfs/dbraw/zinc/18/09/31/135180931.db2.gz DPNGLJMFZAHMRN-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO Cc1c(NC(=O)[C@H]2CSC[NH2+]2)cnn1C ZINC000261547180 135239968 /nfs/dbraw/zinc/23/99/68/135239968.db2.gz LZJJVYYDYOQKLW-MRVPVSSYSA-N 1 2 226.305 0.330 20 0 BCADLO Cn1cc(C(=O)NCCn2cc[nH+]c2)ccc1=O ZINC000342388158 135270348 /nfs/dbraw/zinc/27/03/48/135270348.db2.gz SXEIDSOTFKCWQF-UHFFFAOYSA-N 1 2 246.270 0.012 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000342571966 135290995 /nfs/dbraw/zinc/29/09/95/135290995.db2.gz FRNARKGXAFLYIK-WDEREUQCSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000342571966 135290996 /nfs/dbraw/zinc/29/09/96/135290996.db2.gz FRNARKGXAFLYIK-WDEREUQCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000342631927 135298269 /nfs/dbraw/zinc/29/82/69/135298269.db2.gz LCHXLNZXAMEYAL-NEPJUHHUSA-N 1 2 248.330 0.554 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000342631927 135298271 /nfs/dbraw/zinc/29/82/71/135298271.db2.gz LCHXLNZXAMEYAL-NEPJUHHUSA-N 1 2 248.330 0.554 20 0 BCADLO CCc1nc(N(C)[C@@H]2CCNC2=O)cc(C)[nH+]1 ZINC000342725262 135315844 /nfs/dbraw/zinc/31/58/44/135315844.db2.gz DWOIQYNTIITNOM-SECBINFHSA-N 1 2 234.303 0.672 20 0 BCADLO Cc1c[nH+]c(CN(C)CC(=O)NC2CC2)n1C ZINC000342779613 135317613 /nfs/dbraw/zinc/31/76/13/135317613.db2.gz LZCBSBIQBIDVLB-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000342784616 135317802 /nfs/dbraw/zinc/31/78/02/135317802.db2.gz URUJRTVOAMRWNJ-GXSJLCMTSA-N 1 2 223.320 0.931 20 0 BCADLO Cc1cnc(C[NH+]2CCC(O)CC2)n1C ZINC000342782051 135317899 /nfs/dbraw/zinc/31/78/99/135317899.db2.gz NQOAMTARKGHXJW-UHFFFAOYSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1c[nH+]c(CN2CCC(O)CC2)n1C ZINC000342782051 135317900 /nfs/dbraw/zinc/31/79/00/135317900.db2.gz NQOAMTARKGHXJW-UHFFFAOYSA-N 1 2 209.293 0.685 20 0 BCADLO Cc1c[nH+]c(CN(C)[C@@H]2CCOC2)n1C ZINC000342789847 135318592 /nfs/dbraw/zinc/31/85/92/135318592.db2.gz YIMLJXMTPHSYRV-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2CCOC2)n1C ZINC000342789847 135318593 /nfs/dbraw/zinc/31/85/93/135318593.db2.gz YIMLJXMTPHSYRV-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCOC2)n1C ZINC000342789847 135318594 /nfs/dbraw/zinc/31/85/94/135318594.db2.gz YIMLJXMTPHSYRV-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](CO)O[C@@H](C)C2)n1C ZINC000342798654 135320699 /nfs/dbraw/zinc/32/06/99/135320699.db2.gz WWAKMKLIKUCVLH-WDEREUQCSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c[nH+]c(CN(C)CC(=O)N(C)C)n1C ZINC000342798425 135320778 /nfs/dbraw/zinc/32/07/78/135320778.db2.gz JGRZGLNMNRZKGE-UHFFFAOYSA-N 1 2 224.308 0.249 20 0 BCADLO COC(=O)[C@@H](NCc1[nH+]cc(C)n1C)C1CC1 ZINC000342797577 135321451 /nfs/dbraw/zinc/32/14/51/135321451.db2.gz QAOYISGOAFMTMH-NSHDSACASA-N 1 2 237.303 0.770 20 0 BCADLO c1cn(CCNc2nccn3cnnc23)c[nH+]1 ZINC000079468860 135322424 /nfs/dbraw/zinc/32/24/24/135322424.db2.gz ABOJJUFXYKCALJ-UHFFFAOYSA-N 1 2 229.247 0.433 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cn[nH]c1 ZINC000262924073 135323895 /nfs/dbraw/zinc/32/38/95/135323895.db2.gz HFDYJZNNPJIALZ-XPUUQOCRSA-N 1 2 244.245 0.584 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cn[nH]c1 ZINC000262924070 135324140 /nfs/dbraw/zinc/32/41/40/135324140.db2.gz HFDYJZNNPJIALZ-HTRCEHHLSA-N 1 2 244.245 0.584 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000334168663 135324526 /nfs/dbraw/zinc/32/45/26/135324526.db2.gz AZXCIVRFMCQBCY-WPRPVWTQSA-N 1 2 213.256 0.325 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000334168663 135324527 /nfs/dbraw/zinc/32/45/27/135324527.db2.gz AZXCIVRFMCQBCY-WPRPVWTQSA-N 1 2 213.256 0.325 20 0 BCADLO COC(=O)[C@H]1CCCN1Cc1[nH+]cc(C)n1C ZINC000342773254 135327832 /nfs/dbraw/zinc/32/78/32/135327832.db2.gz BSJAXAJZKYDBEA-SNVBAGLBSA-N 1 2 237.303 0.866 20 0 BCADLO Cn1nccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263041369 135329372 /nfs/dbraw/zinc/32/93/72/135329372.db2.gz SWESTNOMTFTKEF-MRVPVSSYSA-N 1 2 244.245 0.034 20 0 BCADLO O=C(NCC1CCOCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263279479 135344682 /nfs/dbraw/zinc/34/46/82/135344682.db2.gz UATGEBLSVSIMIG-VIFPVBQESA-N 1 2 248.273 0.526 20 0 BCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1CC1 ZINC000334307205 135348918 /nfs/dbraw/zinc/34/89/18/135348918.db2.gz DEBOFOPWPOHZTA-PWSUYJOCSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1nnc(NCCn2cc[nH+]c2)nc1C ZINC000164476126 135351713 /nfs/dbraw/zinc/35/17/13/135351713.db2.gz QHTQSAUABHGIKZ-UHFFFAOYSA-N 1 2 218.264 0.797 20 0 BCADLO O=C1C[N@H+](Cc2cccc3c[nH]nc32)CCN1 ZINC000334363420 135373120 /nfs/dbraw/zinc/37/31/20/135373120.db2.gz FENXAACTVFNLDU-UHFFFAOYSA-N 1 2 230.271 0.495 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3c[nH]nc32)CCN1 ZINC000334363420 135373122 /nfs/dbraw/zinc/37/31/22/135373122.db2.gz FENXAACTVFNLDU-UHFFFAOYSA-N 1 2 230.271 0.495 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334373475 135376108 /nfs/dbraw/zinc/37/61/08/135376108.db2.gz CHDQZZMWOMGNER-CMPLNLGQSA-N 1 2 249.314 0.741 20 0 BCADLO O=C(C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080920083 135384826 /nfs/dbraw/zinc/38/48/26/135384826.db2.gz KCEQDDAHHHEDCY-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO Cc1ncoc1C(=O)N1CC[NH+](C)CC1 ZINC000074686200 135390499 /nfs/dbraw/zinc/39/04/99/135390499.db2.gz LVZQUMKDZURZHN-UHFFFAOYSA-N 1 2 209.249 0.371 20 0 BCADLO Cc1nnc2c(NCCn3cc[nH+]c3)nccn12 ZINC000079468862 135396325 /nfs/dbraw/zinc/39/63/25/135396325.db2.gz DGLIIIUOCMVAKU-UHFFFAOYSA-N 1 2 243.274 0.741 20 0 BCADLO Cn1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000334427839 135398890 /nfs/dbraw/zinc/39/88/90/135398890.db2.gz HMEMGJWYMKOODQ-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO CC[C@@](C)([NH2+]CCCC(=O)OC)C(=O)OC ZINC000336737970 171173970 /nfs/dbraw/zinc/17/39/70/171173970.db2.gz NWPWMESNXFAXJA-LLVKDONJSA-N 1 2 231.292 0.871 20 0 BCADLO Cn1cc[nH+]c1CN1C(=O)NC2(CCC2)C1=O ZINC000344904582 135806246 /nfs/dbraw/zinc/80/62/46/135806246.db2.gz ORPBBQHVBLTUOP-UHFFFAOYSA-N 1 2 234.259 0.395 20 0 BCADLO CC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000347719027 136003633 /nfs/dbraw/zinc/00/36/33/136003633.db2.gz GMQHREZFPYEPDK-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000347719027 136003634 /nfs/dbraw/zinc/00/36/34/136003634.db2.gz GMQHREZFPYEPDK-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ncon1 ZINC000347697631 136006727 /nfs/dbraw/zinc/00/67/27/136006727.db2.gz VXNHZLJNWIVDDJ-NTSWFWBYSA-N 1 2 246.217 0.244 20 0 BCADLO c1cc(C[NH2+]CCn2cnnc2C2CC2)[nH]n1 ZINC000347772980 136008780 /nfs/dbraw/zinc/00/87/80/136008780.db2.gz IYJRMGBYKKIYNB-UHFFFAOYSA-N 1 2 232.291 0.668 20 0 BCADLO CC(=O)[C@](C)(O)C[NH+]1CCN(CC2CC2)CC1 ZINC000347746760 136011014 /nfs/dbraw/zinc/01/10/14/136011014.db2.gz DDWQLJFBHCSNKK-CYBMUJFWSA-N 1 2 240.347 0.354 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCOC1 ZINC000347951719 136019739 /nfs/dbraw/zinc/01/97/39/136019739.db2.gz XUTQZFWFEZMDAJ-NSHDSACASA-N 1 2 223.276 0.463 20 0 BCADLO C[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N(C)C)C1=O ZINC000348241969 136056328 /nfs/dbraw/zinc/05/63/28/136056328.db2.gz QEIHBEBMXIHBFM-QMMMGPOBSA-N 1 2 248.286 0.588 20 0 BCADLO CCN(C)C(=O)CC[N@H+](CC(=O)OC)C1CC1 ZINC000348237755 136061210 /nfs/dbraw/zinc/06/12/10/136061210.db2.gz XHTLLILLEWAKJQ-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)CC[N@@H+](CC(=O)OC)C1CC1 ZINC000348237755 136061211 /nfs/dbraw/zinc/06/12/11/136061211.db2.gz XHTLLILLEWAKJQ-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CC1 ZINC000348291612 136062366 /nfs/dbraw/zinc/06/23/66/136062366.db2.gz TYDKMOKVMZXYQQ-LLVKDONJSA-N 1 2 239.363 0.633 20 0 BCADLO O=C(Nc1cnn(C(F)F)c1)[C@@H]1CSC[NH2+]1 ZINC000335346704 136066703 /nfs/dbraw/zinc/06/67/03/136066703.db2.gz UXMNGSJJHDQOEU-LURJTMIESA-N 1 2 248.258 0.879 20 0 BCADLO O=C(Nc1cnn(C(F)F)c1)[C@H]1CSC[NH2+]1 ZINC000335346706 136066832 /nfs/dbraw/zinc/06/68/32/136066832.db2.gz UXMNGSJJHDQOEU-ZCFIWIBFSA-N 1 2 248.258 0.879 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccnn1C ZINC000348365308 136073290 /nfs/dbraw/zinc/07/32/90/136073290.db2.gz GUOZHICGIBBQLZ-VIFPVBQESA-N 1 2 236.319 0.519 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccnn1C ZINC000348365308 136073289 /nfs/dbraw/zinc/07/32/89/136073289.db2.gz GUOZHICGIBBQLZ-VIFPVBQESA-N 1 2 236.319 0.519 20 0 BCADLO Cn1nccc1C[N@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348415362 136077490 /nfs/dbraw/zinc/07/74/90/136077490.db2.gz ZKUGTPLDKVOGAG-LBPRGKRZSA-N 1 2 248.330 0.615 20 0 BCADLO Cn1nccc1C[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348415362 136077491 /nfs/dbraw/zinc/07/74/91/136077491.db2.gz ZKUGTPLDKVOGAG-LBPRGKRZSA-N 1 2 248.330 0.615 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000348438491 136078823 /nfs/dbraw/zinc/07/88/23/136078823.db2.gz OPQFSFDXUFOXMF-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000348438491 136078824 /nfs/dbraw/zinc/07/88/24/136078824.db2.gz OPQFSFDXUFOXMF-MNOVXSKESA-N 1 2 239.319 0.310 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)[nH]1 ZINC000348450976 136079023 /nfs/dbraw/zinc/07/90/23/136079023.db2.gz IEQQTTNPAZKDDK-NTSWFWBYSA-N 1 2 248.233 0.760 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)CO1 ZINC000335370122 136082838 /nfs/dbraw/zinc/08/28/38/136082838.db2.gz HDLRUJBNXDLPMW-NXEZZACHSA-N 1 2 237.303 0.804 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2[nH+]ccn2C)CO1 ZINC000335370125 136082979 /nfs/dbraw/zinc/08/29/79/136082979.db2.gz HDLRUJBNXDLPMW-ZJUUUORDSA-N 1 2 237.303 0.804 20 0 BCADLO Cc1ncccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000335400840 136094250 /nfs/dbraw/zinc/09/42/50/136094250.db2.gz QHJMZAUJQUVTKR-SECBINFHSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1ncccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000335400840 136094251 /nfs/dbraw/zinc/09/42/51/136094251.db2.gz QHJMZAUJQUVTKR-SECBINFHSA-N 1 2 219.288 0.710 20 0 BCADLO C[C@@H](C(=O)N(C)C1CC1)[NH+]1CCOCC1 ZINC000335400525 136094381 /nfs/dbraw/zinc/09/43/81/136094381.db2.gz LROKDWZCBDKQFM-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000335560038 136100908 /nfs/dbraw/zinc/10/09/08/136100908.db2.gz SGENKZDGGOPSCF-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@@H]1COCC[N@H+]1CC ZINC000335560038 136100909 /nfs/dbraw/zinc/10/09/09/136100909.db2.gz SGENKZDGGOPSCF-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)COC(F)F ZINC000348629988 136104350 /nfs/dbraw/zinc/10/43/50/136104350.db2.gz LLFCSCZMNZRHFX-UHFFFAOYSA-N 1 2 233.218 0.618 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011790 397806127 /nfs/dbraw/zinc/80/61/27/397806127.db2.gz ZVIOCHJRWMBBNH-RKDXNWHRSA-N 1 2 241.291 0.990 20 0 BCADLO COC[C@@H](C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011790 397806129 /nfs/dbraw/zinc/80/61/29/397806129.db2.gz ZVIOCHJRWMBBNH-RKDXNWHRSA-N 1 2 241.291 0.990 20 0 BCADLO CCOC[C@H](O)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362079907 397814809 /nfs/dbraw/zinc/81/48/09/397814809.db2.gz VWZOTPKPPPFNGK-IDYSPNNHSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362079907 397814815 /nfs/dbraw/zinc/81/48/15/397814815.db2.gz VWZOTPKPPPFNGK-IDYSPNNHSA-N 1 2 249.376 0.225 20 0 BCADLO Cc1cc(NC(=O)N[C@H](CO)CCF)cc[nH+]1 ZINC000650107048 397927117 /nfs/dbraw/zinc/92/71/17/397927117.db2.gz IZAVKIOBIQNPPD-JTQLQIEISA-N 1 2 241.266 0.654 20 0 BCADLO Cn1nccc1C(=O)NCCCn1cc[nH+]c1 ZINC000020441684 397964920 /nfs/dbraw/zinc/96/49/20/397964920.db2.gz YQBILQSHJVBRIO-UHFFFAOYSA-N 1 2 233.275 0.437 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537715 397930241 /nfs/dbraw/zinc/93/02/41/397930241.db2.gz PMTQXDDYSIEPGO-RKDXNWHRSA-N 1 2 241.291 0.583 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537715 397930246 /nfs/dbraw/zinc/93/02/46/397930246.db2.gz PMTQXDDYSIEPGO-RKDXNWHRSA-N 1 2 241.291 0.583 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000440527645 397931745 /nfs/dbraw/zinc/93/17/45/397931745.db2.gz ZOXBWCOWMPDMBA-IUCAKERBSA-N 1 2 218.272 0.181 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000440527645 397931749 /nfs/dbraw/zinc/93/17/49/397931749.db2.gz ZOXBWCOWMPDMBA-IUCAKERBSA-N 1 2 218.272 0.181 20 0 BCADLO O=C(C1CC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382620128 397965218 /nfs/dbraw/zinc/96/52/18/397965218.db2.gz YGECVYADRKPDPJ-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C1CC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382620127 397965571 /nfs/dbraw/zinc/96/55/71/397965571.db2.gz YGECVYADRKPDPJ-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCO[C@H](CO)C1 ZINC000267694601 397948846 /nfs/dbraw/zinc/94/88/46/397948846.db2.gz YVHNDNHSHHONHC-NSHDSACASA-N 1 2 239.319 0.657 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)[C@](C)(O)C1CC1)C2 ZINC000367721330 397951808 /nfs/dbraw/zinc/95/18/08/397951808.db2.gz PPUOOENYBLOYFU-CYBMUJFWSA-N 1 2 249.314 0.466 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H]1CCO ZINC000493547552 397956977 /nfs/dbraw/zinc/95/69/77/397956977.db2.gz FNMYISKKJLXJRX-UMBAGQNISA-N 1 2 235.287 0.796 20 0 BCADLO Cc1c[nH]nc1C[NH2+]Cc1ccnn1C ZINC000336724443 397958087 /nfs/dbraw/zinc/95/80/87/397958087.db2.gz FUPFJQLCTKYPIS-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO C[C@@H](CO)C[N@H+](CC(F)F)C[C@H](C)O ZINC000650182337 397959359 /nfs/dbraw/zinc/95/93/59/397959359.db2.gz XVNCVYKBFRDSBN-SFYZADRCSA-N 1 2 211.252 0.563 20 0 BCADLO C[C@@H](CO)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000650182337 397959362 /nfs/dbraw/zinc/95/93/62/397959362.db2.gz XVNCVYKBFRDSBN-SFYZADRCSA-N 1 2 211.252 0.563 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649571351 397962381 /nfs/dbraw/zinc/96/23/81/397962381.db2.gz HVMOIPSXIBLNJX-SECBINFHSA-N 1 2 249.318 0.072 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649571351 397962385 /nfs/dbraw/zinc/96/23/85/397962385.db2.gz HVMOIPSXIBLNJX-SECBINFHSA-N 1 2 249.318 0.072 20 0 BCADLO COC[C@@](C)(O)CNc1[nH+]cccc1OC ZINC000382580338 397962400 /nfs/dbraw/zinc/96/24/00/397962400.db2.gz VLPYJDAJDWVRAC-NSHDSACASA-N 1 2 226.276 0.900 20 0 BCADLO C[C@H](C(=O)NCc1[nH+]ccn1C)n1cccn1 ZINC000264303880 397919172 /nfs/dbraw/zinc/91/91/72/397919172.db2.gz MJEXEYIJGYGOLP-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO CCN1CC[N@H+](CCC(=O)OC)[C@@H](C)C1=O ZINC000261086729 397991461 /nfs/dbraw/zinc/99/14/61/397991461.db2.gz UESNUIIAEGZZPT-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1=O ZINC000261086729 397991465 /nfs/dbraw/zinc/99/14/65/397991465.db2.gz UESNUIIAEGZZPT-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000261077363 397991932 /nfs/dbraw/zinc/99/19/32/397991932.db2.gz QWIGNVFDZJDJNU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000261077363 397991936 /nfs/dbraw/zinc/99/19/36/397991936.db2.gz QWIGNVFDZJDJNU-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@H]2CC(F)F)N1 ZINC000649611090 397996475 /nfs/dbraw/zinc/99/64/75/397996475.db2.gz LUMNKENSBVZIMQ-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@H]2CC(F)F)N1 ZINC000649611090 397996479 /nfs/dbraw/zinc/99/64/79/397996479.db2.gz LUMNKENSBVZIMQ-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649631440 398013329 /nfs/dbraw/zinc/01/33/29/398013329.db2.gz AHBFKIBVHXGZFK-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649631440 398013333 /nfs/dbraw/zinc/01/33/33/398013333.db2.gz AHBFKIBVHXGZFK-LLVKDONJSA-N 1 2 248.330 0.540 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649631441 398013682 /nfs/dbraw/zinc/01/36/82/398013682.db2.gz AHBFKIBVHXGZFK-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649631441 398013684 /nfs/dbraw/zinc/01/36/84/398013684.db2.gz AHBFKIBVHXGZFK-NSHDSACASA-N 1 2 248.330 0.540 20 0 BCADLO OC[C@@H](Nc1cc[nH+]cc1F)[C@@H]1CCCOC1 ZINC000641634391 398021331 /nfs/dbraw/zinc/02/13/31/398021331.db2.gz MUTDYZRIBAYVBC-BXKDBHETSA-N 1 2 240.278 0.842 20 0 BCADLO Cc1nc(NC[C@@H]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000389095375 398022009 /nfs/dbraw/zinc/02/20/09/398022009.db2.gz DCVQNOZZLZHHAA-IONNQARKSA-N 1 2 237.307 0.241 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCO[C@@H](C)C2)[nH+]1 ZINC000389095375 398022014 /nfs/dbraw/zinc/02/20/14/398022014.db2.gz DCVQNOZZLZHHAA-IONNQARKSA-N 1 2 237.307 0.241 20 0 BCADLO Cn1cnc2c1CC[N@H+](Cc1ccnn1C)C2 ZINC000376204316 398026389 /nfs/dbraw/zinc/02/63/89/398026389.db2.gz ZFXQRGLKPKYULN-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO Cn1cnc2c1CC[N@@H+](Cc1ccnn1C)C2 ZINC000376204316 398026393 /nfs/dbraw/zinc/02/63/93/398026393.db2.gz ZFXQRGLKPKYULN-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO Cn1c[nH+]c2c1CCN(Cc1ccnn1C)C2 ZINC000376204316 398026395 /nfs/dbraw/zinc/02/63/95/398026395.db2.gz ZFXQRGLKPKYULN-UHFFFAOYSA-N 1 2 231.303 0.712 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)O1 ZINC000408195748 398026545 /nfs/dbraw/zinc/02/65/45/398026545.db2.gz UKPJIXAXGUWIDT-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)O1 ZINC000408195748 398026551 /nfs/dbraw/zinc/02/65/51/398026551.db2.gz UKPJIXAXGUWIDT-IUCAKERBSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccnn1C ZINC000277763795 398033159 /nfs/dbraw/zinc/03/31/59/398033159.db2.gz SLYPMTYWUMRTKV-SNVBAGLBSA-N 1 2 247.302 0.364 20 0 BCADLO CC(C)=CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271605422 397969970 /nfs/dbraw/zinc/96/99/70/397969970.db2.gz ULRJRKJBOJQBAS-SECBINFHSA-N 1 2 214.334 0.855 20 0 BCADLO CC(C)=CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271605422 397969973 /nfs/dbraw/zinc/96/99/73/397969973.db2.gz ULRJRKJBOJQBAS-SECBINFHSA-N 1 2 214.334 0.855 20 0 BCADLO Cc1cncc(CC[N@@H+]2CCc3n[nH]nc3C2)n1 ZINC000649591692 397978017 /nfs/dbraw/zinc/97/80/17/397978017.db2.gz GNGUGANWTSJFCI-UHFFFAOYSA-N 1 2 244.302 0.504 20 0 BCADLO Cc1cncc(CC[N@H+]2CCc3n[nH]nc3C2)n1 ZINC000649591692 397978021 /nfs/dbraw/zinc/97/80/21/397978021.db2.gz GNGUGANWTSJFCI-UHFFFAOYSA-N 1 2 244.302 0.504 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000452135411 397985198 /nfs/dbraw/zinc/98/51/98/397985198.db2.gz VYDYDUPPZWTVHY-WDEREUQCSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000452135411 397985200 /nfs/dbraw/zinc/98/52/00/397985200.db2.gz VYDYDUPPZWTVHY-WDEREUQCSA-N 1 2 218.316 0.733 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000649730582 398069302 /nfs/dbraw/zinc/06/93/02/398069302.db2.gz ULSNYQXILVMANL-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000649730582 398069305 /nfs/dbraw/zinc/06/93/05/398069305.db2.gz ULSNYQXILVMANL-GXSJLCMTSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000649731846 398071033 /nfs/dbraw/zinc/07/10/33/398071033.db2.gz NQSYPGSCIWWIIN-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CO1 ZINC000649731846 398071034 /nfs/dbraw/zinc/07/10/34/398071034.db2.gz NQSYPGSCIWWIIN-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000649731804 398071705 /nfs/dbraw/zinc/07/17/05/398071705.db2.gz NEPJTJYEVFEPEX-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000649731804 398071708 /nfs/dbraw/zinc/07/17/08/398071708.db2.gz NEPJTJYEVFEPEX-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000283473439 398074158 /nfs/dbraw/zinc/07/41/58/398074158.db2.gz PLYBPNRNIXZZGH-NXEZZACHSA-N 1 2 237.303 0.896 20 0 BCADLO Cc1nc(NCC2(C)CCC2)nc(N)[nH+]1 ZINC000389320896 398074186 /nfs/dbraw/zinc/07/41/86/398074186.db2.gz BKXDSALCTPHHEA-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO Cc1nc(N)nc(NCC2(C)CCC2)[nH+]1 ZINC000389320896 398074189 /nfs/dbraw/zinc/07/41/89/398074189.db2.gz BKXDSALCTPHHEA-UHFFFAOYSA-N 1 2 207.281 0.617 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cscn1 ZINC000221097952 398094011 /nfs/dbraw/zinc/09/40/11/398094011.db2.gz UUOYGTGAKBCUJF-ZETCQYMHSA-N 1 2 249.361 0.343 20 0 BCADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)OC1CCC1 ZINC000495973933 398077801 /nfs/dbraw/zinc/07/78/01/398077801.db2.gz YUCXBBZSCGMKML-SNVBAGLBSA-N 1 2 239.319 0.265 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285644468 398078667 /nfs/dbraw/zinc/07/86/67/398078667.db2.gz OROWZVNMCLTCJD-SECBINFHSA-N 1 2 234.303 0.383 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285644468 398078670 /nfs/dbraw/zinc/07/86/70/398078670.db2.gz OROWZVNMCLTCJD-SECBINFHSA-N 1 2 234.303 0.383 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C)s1 ZINC000649744619 398082428 /nfs/dbraw/zinc/08/24/28/398082428.db2.gz HGMHVDRPEQEVEJ-DTWKUNHWSA-N 1 2 243.332 0.428 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C)s1 ZINC000649744619 398082429 /nfs/dbraw/zinc/08/24/29/398082429.db2.gz HGMHVDRPEQEVEJ-DTWKUNHWSA-N 1 2 243.332 0.428 20 0 BCADLO CCC1(CO)CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340290746 398084277 /nfs/dbraw/zinc/08/42/77/398084277.db2.gz OCDULELUUNINKX-UHFFFAOYSA-N 1 2 224.308 0.789 20 0 BCADLO CCC1(CO)CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340290746 398084280 /nfs/dbraw/zinc/08/42/80/398084280.db2.gz OCDULELUUNINKX-UHFFFAOYSA-N 1 2 224.308 0.789 20 0 BCADLO CCC1(CO)CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340290746 398084287 /nfs/dbraw/zinc/08/42/87/398084287.db2.gz OCDULELUUNINKX-UHFFFAOYSA-N 1 2 224.308 0.789 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCOC1 ZINC000649755424 398086188 /nfs/dbraw/zinc/08/61/88/398086188.db2.gz NSXCKIOYUNTXFF-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCOC1 ZINC000649755424 398086191 /nfs/dbraw/zinc/08/61/91/398086191.db2.gz NSXCKIOYUNTXFF-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@]2(CCOC2)C1 ZINC000185168706 398089911 /nfs/dbraw/zinc/08/99/11/398089911.db2.gz MFHRHHJVMMMIAL-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCOC(C)C ZINC000116283838 398090269 /nfs/dbraw/zinc/09/02/69/398090269.db2.gz QLEPEPLYJCBSLR-WDEREUQCSA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCOC(C)C ZINC000116283838 398090272 /nfs/dbraw/zinc/09/02/72/398090272.db2.gz QLEPEPLYJCBSLR-WDEREUQCSA-N 1 2 245.319 0.674 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)on1 ZINC000649761158 398091495 /nfs/dbraw/zinc/09/14/95/398091495.db2.gz NKISSNNFYRQJAC-GHMZBOCLSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C)on1 ZINC000649761158 398091498 /nfs/dbraw/zinc/09/14/98/398091498.db2.gz NKISSNNFYRQJAC-GHMZBOCLSA-N 1 2 226.276 0.565 20 0 BCADLO COC[C@H](O)CNc1cc[nH+]cc1F ZINC000389210130 398051113 /nfs/dbraw/zinc/05/11/13/398051113.db2.gz AAJFVABNJIGVLL-SSDOTTSWSA-N 1 2 200.213 0.062 20 0 BCADLO CC(=O)NCC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000649704362 398052551 /nfs/dbraw/zinc/05/25/51/398052551.db2.gz FSGSOLOMHDFDCL-UHFFFAOYSA-N 1 2 249.314 0.913 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)CN1C1CC1 ZINC000280199209 398054405 /nfs/dbraw/zinc/05/44/05/398054405.db2.gz IWCSVNQUZCDJJY-UHFFFAOYSA-N 1 2 206.249 0.174 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)CN1C1CC1 ZINC000280199209 398054408 /nfs/dbraw/zinc/05/44/08/398054408.db2.gz IWCSVNQUZCDJJY-UHFFFAOYSA-N 1 2 206.249 0.174 20 0 BCADLO CCN(CC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000128781580 398103620 /nfs/dbraw/zinc/10/36/20/398103620.db2.gz MQQDVLWTLGRDTO-MNOVXSKESA-N 1 2 241.335 0.463 20 0 BCADLO CCN(CC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000128781580 398103626 /nfs/dbraw/zinc/10/36/26/398103626.db2.gz MQQDVLWTLGRDTO-MNOVXSKESA-N 1 2 241.335 0.463 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCO1 ZINC000292567955 398105251 /nfs/dbraw/zinc/10/52/51/398105251.db2.gz USHVYQFCAFUIBB-SECBINFHSA-N 1 2 224.264 0.619 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@H]1O ZINC000309376003 398119694 /nfs/dbraw/zinc/11/96/94/398119694.db2.gz QFFHKQMGNFXNBI-VHSXEESVSA-N 1 2 223.276 0.303 20 0 BCADLO C[C@@H](CO)C1CC[NH+](Cc2nncn2C)CC1 ZINC000649799792 398109228 /nfs/dbraw/zinc/10/92/28/398109228.db2.gz DHSLXJTZWAFIEH-JTQLQIEISA-N 1 2 238.335 0.656 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ncnn1C ZINC000384983874 398121332 /nfs/dbraw/zinc/12/13/32/398121332.db2.gz ZLDGTCIDYXVKIA-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ncnn1C ZINC000384983874 398121337 /nfs/dbraw/zinc/12/13/37/398121337.db2.gz ZLDGTCIDYXVKIA-RKDXNWHRSA-N 1 2 210.281 0.160 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523438356 398113605 /nfs/dbraw/zinc/11/36/05/398113605.db2.gz BOWDZRCFAHAIPO-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523438356 398113611 /nfs/dbraw/zinc/11/36/11/398113611.db2.gz BOWDZRCFAHAIPO-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ncnn1C ZINC000384983873 398121497 /nfs/dbraw/zinc/12/14/97/398121497.db2.gz ZLDGTCIDYXVKIA-IUCAKERBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ncnn1C ZINC000384983873 398121499 /nfs/dbraw/zinc/12/14/99/398121499.db2.gz ZLDGTCIDYXVKIA-IUCAKERBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H](O)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214275 398130372 /nfs/dbraw/zinc/13/03/72/398130372.db2.gz WHCVCZQERNKRKG-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214634 398131024 /nfs/dbraw/zinc/13/10/24/398131024.db2.gz LOLKQIZBBVMKLG-ZJUUUORDSA-N 1 2 235.287 0.351 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1csnn1 ZINC000398253255 322867796 /nfs/dbraw/zinc/86/77/96/322867796.db2.gz XTWNCYCPXXMLIF-JGVFFNPUSA-N 1 2 240.332 0.857 20 0 BCADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCO[C@@H]1C1CC1 ZINC000680312907 487560524 /nfs/dbraw/zinc/56/05/24/487560524.db2.gz UJBUQSVMIJTKFO-CHWSQXEVSA-N 1 2 249.314 0.957 20 0 BCADLO CN(C[C@H](O)C1CC1)c1[nH+]cnc2c1cnn2C ZINC000674330209 487560894 /nfs/dbraw/zinc/56/08/94/487560894.db2.gz CXMNJSLGIZSZQB-JTQLQIEISA-N 1 2 247.302 0.570 20 0 BCADLO Cn1nccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000685642919 487570000 /nfs/dbraw/zinc/57/00/00/487570000.db2.gz LMFDVZPHWUJPNX-UHFFFAOYSA-N 1 2 246.274 0.664 20 0 BCADLO CCOc1nc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000680355530 487573001 /nfs/dbraw/zinc/57/30/01/487573001.db2.gz RZVIZDBHSAGTLJ-UHFFFAOYSA-N 1 2 239.275 0.461 20 0 BCADLO CCNC(=O)C[NH2+]Cc1ncc(C)s1 ZINC000394721313 487575566 /nfs/dbraw/zinc/57/55/66/487575566.db2.gz FWNFFQZGPLAJBK-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CC[C@@H](c3ccco3)C2)nc1=O ZINC000680373593 487577226 /nfs/dbraw/zinc/57/72/26/487577226.db2.gz HIIPGZGZMZWENJ-SECBINFHSA-N 1 2 248.286 0.691 20 0 BCADLO Cn1[nH]c(C[N@H+]2CC[C@@H](c3ccco3)C2)nc1=O ZINC000680373593 487577230 /nfs/dbraw/zinc/57/72/30/487577230.db2.gz HIIPGZGZMZWENJ-SECBINFHSA-N 1 2 248.286 0.691 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC3(CC3)CC2)nc1=O ZINC000680377398 487579239 /nfs/dbraw/zinc/57/92/39/487579239.db2.gz MOGMCTLMPVZERO-UHFFFAOYSA-N 1 2 222.292 0.484 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)ncn1 ZINC000556384395 322906703 /nfs/dbraw/zinc/90/67/03/322906703.db2.gz FTXKKRRYHXEZDG-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc[nH]c1 ZINC000672156095 487581328 /nfs/dbraw/zinc/58/13/28/487581328.db2.gz HGCLGNPHYJXHPL-JTQLQIEISA-N 1 2 230.271 0.956 20 0 BCADLO C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1F ZINC000680388427 487581844 /nfs/dbraw/zinc/58/18/44/487581844.db2.gz UCWGQSFKHAFBDA-YUMQZZPRSA-N 1 2 228.271 0.288 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1F ZINC000680388427 487581848 /nfs/dbraw/zinc/58/18/48/487581848.db2.gz UCWGQSFKHAFBDA-YUMQZZPRSA-N 1 2 228.271 0.288 20 0 BCADLO CC(C)OCCNC(=O)CCn1cc[nH+]c1 ZINC000273410333 167237169 /nfs/dbraw/zinc/23/71/69/167237169.db2.gz OJGVZOOJFFSFLF-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CO[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000674524374 487593116 /nfs/dbraw/zinc/59/31/16/487593116.db2.gz CMRUBYOHEKMQTC-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530309095 487594968 /nfs/dbraw/zinc/59/49/68/487594968.db2.gz AEMNNJVKDCBLJY-VHSXEESVSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530309095 487594971 /nfs/dbraw/zinc/59/49/71/487594971.db2.gz AEMNNJVKDCBLJY-VHSXEESVSA-N 1 2 223.276 0.636 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749853 487604261 /nfs/dbraw/zinc/60/42/61/487604261.db2.gz RKVZTUMJRNJKQM-GFCCVEGCSA-N 1 2 236.319 0.850 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749853 487604268 /nfs/dbraw/zinc/60/42/68/487604268.db2.gz RKVZTUMJRNJKQM-GFCCVEGCSA-N 1 2 236.319 0.850 20 0 BCADLO CCNC(=O)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000674718200 487605980 /nfs/dbraw/zinc/60/59/80/487605980.db2.gz QZXCFVZXKAAFRR-UHFFFAOYSA-N 1 2 238.291 0.251 20 0 BCADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660720552 409648291 /nfs/dbraw/zinc/64/82/91/409648291.db2.gz KHEBAIUZYJRQNK-ONGXEEELSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660720552 409648294 /nfs/dbraw/zinc/64/82/94/409648294.db2.gz KHEBAIUZYJRQNK-ONGXEEELSA-N 1 2 224.308 0.704 20 0 BCADLO Cc1nc(N2C[C@]3(C)COC[C@]3(C)C2)nc(N)[nH+]1 ZINC000631366881 409650439 /nfs/dbraw/zinc/65/04/39/409650439.db2.gz HTUJZYITLFVLKR-TXEJJXNPSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N)nc(N2C[C@]3(C)COC[C@]3(C)C2)[nH+]1 ZINC000631366881 409650448 /nfs/dbraw/zinc/65/04/48/409650448.db2.gz HTUJZYITLFVLKR-TXEJJXNPSA-N 1 2 249.318 0.625 20 0 BCADLO CC(C)COCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841185 409829718 /nfs/dbraw/zinc/82/97/18/409829718.db2.gz BPLYFEBUTBXHPW-UHFFFAOYSA-N 1 2 229.280 0.880 20 0 BCADLO CC(C)COCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841185 409829724 /nfs/dbraw/zinc/82/97/24/409829724.db2.gz BPLYFEBUTBXHPW-UHFFFAOYSA-N 1 2 229.280 0.880 20 0 BCADLO CO[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000660839439 409830143 /nfs/dbraw/zinc/83/01/43/409830143.db2.gz AIXHVMYNBBGYMT-MRVPVSSYSA-N 1 2 227.264 0.632 20 0 BCADLO CO[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000660839439 409830147 /nfs/dbraw/zinc/83/01/47/409830147.db2.gz AIXHVMYNBBGYMT-MRVPVSSYSA-N 1 2 227.264 0.632 20 0 BCADLO Cc1cncc(CC[N@@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660844526 409841027 /nfs/dbraw/zinc/84/10/27/409841027.db2.gz OJMJUMFAVPDPIJ-UHFFFAOYSA-N 1 2 249.274 0.548 20 0 BCADLO Cc1cncc(CC[N@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660844526 409841035 /nfs/dbraw/zinc/84/10/35/409841035.db2.gz OJMJUMFAVPDPIJ-UHFFFAOYSA-N 1 2 249.274 0.548 20 0 BCADLO CCN(C(=O)Cc1c[nH+]cn1C)c1cnn(C)c1 ZINC000655333531 409908235 /nfs/dbraw/zinc/90/82/35/409908235.db2.gz SIWNGFJTMYVPGS-UHFFFAOYSA-N 1 2 247.302 0.749 20 0 BCADLO Cc1nc(NC2COCCOC2)cc[nH+]1 ZINC000308858798 409925554 /nfs/dbraw/zinc/92/55/54/409925554.db2.gz QUSFDDVVMCPGMK-UHFFFAOYSA-N 1 2 209.249 0.612 20 0 BCADLO CSC[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000075123690 410047418 /nfs/dbraw/zinc/04/74/18/410047418.db2.gz DVDMSNDSHJXTTJ-JTQLQIEISA-N 1 2 243.332 0.562 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nnc2n1CCCC2 ZINC000661090106 410159847 /nfs/dbraw/zinc/15/98/47/410159847.db2.gz MGRSAUZTFRFBJY-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nnc2n1CCCC2 ZINC000661090106 410159855 /nfs/dbraw/zinc/15/98/55/410159855.db2.gz MGRSAUZTFRFBJY-UHFFFAOYSA-N 1 2 246.318 0.970 20 0 BCADLO C[C@@H](CN(C)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC000661094726 410179057 /nfs/dbraw/zinc/17/90/57/410179057.db2.gz YQWXRCRDOHVHLV-QMMMGPOBSA-N 1 2 231.321 0.275 20 0 BCADLO C[C@@H](CN(C)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC000661094726 410179062 /nfs/dbraw/zinc/17/90/62/410179062.db2.gz YQWXRCRDOHVHLV-QMMMGPOBSA-N 1 2 231.321 0.275 20 0 BCADLO O[C@H]1C[N@H+](CCC2(O)CCC2)CC(F)(F)C1 ZINC000664081356 410455589 /nfs/dbraw/zinc/45/55/89/410455589.db2.gz AERMVNHAKBPCGL-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO O[C@H]1C[N@@H+](CCC2(O)CCC2)CC(F)(F)C1 ZINC000664081356 410455595 /nfs/dbraw/zinc/45/55/95/410455595.db2.gz AERMVNHAKBPCGL-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO O[C@@H]1CC[N@H+](CCC2(O)CCC2)CC1(F)F ZINC000661414693 410625072 /nfs/dbraw/zinc/62/50/72/410625072.db2.gz UTMYUEMHOXPHOO-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO O[C@@H]1CC[N@@H+](CCC2(O)CCC2)CC1(F)F ZINC000661414693 410625078 /nfs/dbraw/zinc/62/50/78/410625078.db2.gz UTMYUEMHOXPHOO-SECBINFHSA-N 1 2 235.274 0.993 20 0 BCADLO C/C=C\CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000624656005 410676839 /nfs/dbraw/zinc/67/68/39/410676839.db2.gz CFEWTSVDKBWKTO-ARJAWSKDSA-N 1 2 218.264 0.934 20 0 BCADLO CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651061313 410779382 /nfs/dbraw/zinc/77/93/82/410779382.db2.gz QGTKUJOPOLGGST-UHFFFAOYSA-N 1 2 207.277 0.850 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCO ZINC000651083293 410787225 /nfs/dbraw/zinc/78/72/25/410787225.db2.gz VVSGYWPOYUNTKD-UHFFFAOYSA-N 1 2 237.303 0.261 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000028659922 167048224 /nfs/dbraw/zinc/04/82/24/167048224.db2.gz CLMATXHIWNGAKB-VIFPVBQESA-N 1 2 241.335 0.110 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000028659922 167048228 /nfs/dbraw/zinc/04/82/28/167048228.db2.gz CLMATXHIWNGAKB-VIFPVBQESA-N 1 2 241.335 0.110 20 0 BCADLO CCn1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000651293013 410902756 /nfs/dbraw/zinc/90/27/56/410902756.db2.gz YLOZINWTJJVMCC-UHFFFAOYSA-N 1 2 247.302 0.827 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356137138 167073926 /nfs/dbraw/zinc/07/39/26/167073926.db2.gz ZKJCQHRJEUYKQZ-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356137138 167073929 /nfs/dbraw/zinc/07/39/29/167073929.db2.gz ZKJCQHRJEUYKQZ-SNVBAGLBSA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105066398 167074749 /nfs/dbraw/zinc/07/47/49/167074749.db2.gz SJKMYPVJPBUBMP-QWRGUYRKSA-N 1 2 243.351 0.803 20 0 BCADLO CC(C)[NH2+]C1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340834164 167094766 /nfs/dbraw/zinc/09/47/66/167094766.db2.gz OTIXXZAXINHWGO-UHFFFAOYSA-N 1 2 239.323 0.473 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000075685432 167152875 /nfs/dbraw/zinc/15/28/75/167152875.db2.gz BVSHVMXWVHETNZ-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000075685432 167152879 /nfs/dbraw/zinc/15/28/79/167152879.db2.gz BVSHVMXWVHETNZ-SECBINFHSA-N 1 2 228.292 0.148 20 0 BCADLO CC(C)OC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000335652576 167173554 /nfs/dbraw/zinc/17/35/54/167173554.db2.gz MRIDIOCHWBCEBJ-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)OCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000122317996 167180242 /nfs/dbraw/zinc/18/02/42/167180242.db2.gz CJZQTTXQKBNQJI-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362554 167188343 /nfs/dbraw/zinc/18/83/43/167188343.db2.gz WTXTZYFDYUALQG-SECBINFHSA-N 1 2 237.303 0.808 20 0 BCADLO CC(C)OCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362554 167188347 /nfs/dbraw/zinc/18/83/47/167188347.db2.gz WTXTZYFDYUALQG-SECBINFHSA-N 1 2 237.303 0.808 20 0 BCADLO CC(C)OCC(=O)NCc1[nH+]ccn1C ZINC000122263979 167189925 /nfs/dbraw/zinc/18/99/25/167189925.db2.gz KANXTAGZUGNRPN-UHFFFAOYSA-N 1 2 211.265 0.461 20 0 BCADLO CC(C)OCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000308976158 167245407 /nfs/dbraw/zinc/24/54/07/167245407.db2.gz GRHUTGVVTWDABD-VIFPVBQESA-N 1 2 212.297 0.891 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccncc1 ZINC000041904437 410942894 /nfs/dbraw/zinc/94/28/94/410942894.db2.gz RIEUVLZNVCZLOX-UHFFFAOYSA-N 1 2 216.244 0.708 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@H]1COCCO1 ZINC000661602144 411015324 /nfs/dbraw/zinc/01/53/24/411015324.db2.gz AGWJNYCSAWMWGN-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@H]1COCCO1 ZINC000661602144 411015328 /nfs/dbraw/zinc/01/53/28/411015328.db2.gz AGWJNYCSAWMWGN-JTQLQIEISA-N 1 2 212.249 0.522 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cccc[nH+]1 ZINC000651411048 410992545 /nfs/dbraw/zinc/99/25/45/410992545.db2.gz IZZVPBOOIGBTDN-VHSXEESVSA-N 1 2 208.261 0.668 20 0 BCADLO C[C@H](CC(=O)NCC[C@H](C)O)n1cc[nH+]c1 ZINC000651357011 410946047 /nfs/dbraw/zinc/94/60/47/410946047.db2.gz DLTHYJOIPSUGOZ-ZJUUUORDSA-N 1 2 225.292 0.721 20 0 BCADLO C[C@H](CC(=O)NC[C@H](C)CO)n1cc[nH+]c1 ZINC000651517813 411076448 /nfs/dbraw/zinc/07/64/48/411076448.db2.gz AZLWNARIOYGROM-VHSXEESVSA-N 1 2 225.292 0.579 20 0 BCADLO C[C@H](CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651521290 411079209 /nfs/dbraw/zinc/07/92/09/411079209.db2.gz IWSBZJUKZRNMER-NXEZZACHSA-N 1 2 225.292 0.721 20 0 BCADLO O=C1CC[C@H]2C[N@H+](CC(F)F)CC[C@H]2N1 ZINC000661603807 411026058 /nfs/dbraw/zinc/02/60/58/411026058.db2.gz WHEMGRCOOZSCLB-JGVFFNPUSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](CC(F)F)CC[C@H]2N1 ZINC000661603807 411026063 /nfs/dbraw/zinc/02/60/63/411026063.db2.gz WHEMGRCOOZSCLB-JGVFFNPUSA-N 1 2 218.247 0.852 20 0 BCADLO CCN1C[C@H]([NH2+][C@H](C)c2cn[nH]c2C)CC1=O ZINC000651434881 411026991 /nfs/dbraw/zinc/02/69/91/411026991.db2.gz XTBBINCVEPTTBG-PSASIEDQSA-N 1 2 236.319 0.990 20 0 BCADLO COC(=O)C[N@H+](Cc1ccc(N)nc1)C(C)C ZINC000592431302 411133248 /nfs/dbraw/zinc/13/32/48/411133248.db2.gz RSDPPJQTFIEJPC-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BCADLO COC(=O)C[N@@H+](Cc1ccc(N)nc1)C(C)C ZINC000592431302 411133249 /nfs/dbraw/zinc/13/32/49/411133249.db2.gz RSDPPJQTFIEJPC-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BCADLO CC(C)c1nc(N2C[C@@H](O)[C@H](O)C2)cc[nH+]1 ZINC000408396567 167689502 /nfs/dbraw/zinc/68/95/02/167689502.db2.gz ZNWRLBPLCFFQMB-RKDXNWHRSA-N 1 2 223.276 0.142 20 0 BCADLO COc1cc(C[N@H+](CC(N)=O)C(C)(C)C)on1 ZINC000660017629 411176610 /nfs/dbraw/zinc/17/66/10/411176610.db2.gz HKLYZJHJCSKOLL-UHFFFAOYSA-N 1 2 241.291 0.769 20 0 BCADLO COc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)on1 ZINC000660017629 411176611 /nfs/dbraw/zinc/17/66/11/411176611.db2.gz HKLYZJHJCSKOLL-UHFFFAOYSA-N 1 2 241.291 0.769 20 0 BCADLO O=C(C[NH2+][C@H]1CCCn2ccnc21)NCC1CC1 ZINC000655752028 411178544 /nfs/dbraw/zinc/17/85/44/411178544.db2.gz GZXGFCRZJBTUFM-NSHDSACASA-N 1 2 248.330 0.834 20 0 BCADLO COc1c(C)[nH+]cnc1NCCOCCO ZINC000656104838 411179032 /nfs/dbraw/zinc/17/90/32/411179032.db2.gz HHKRJZNRUJQIPM-UHFFFAOYSA-N 1 2 227.264 0.214 20 0 BCADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](O)C1 ZINC000656103914 411179039 /nfs/dbraw/zinc/17/90/39/411179039.db2.gz TXIXOQKKCZQVEO-SECBINFHSA-N 1 2 223.276 0.755 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(=O)N(C)C ZINC000656105689 411179426 /nfs/dbraw/zinc/17/94/26/411179426.db2.gz NOFAEVAQHWOTQH-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)C[C@H](C)O ZINC000656111549 411180750 /nfs/dbraw/zinc/18/07/50/411180750.db2.gz ODPBKISCRMZAFB-ZETCQYMHSA-N 1 2 211.265 0.611 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H](C)Cn1cncn1 ZINC000656112986 411181337 /nfs/dbraw/zinc/18/13/37/411181337.db2.gz YKFURCRXSKGICV-MRVPVSSYSA-N 1 2 248.290 0.886 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](C)Cn1cncn1 ZINC000656112987 411181914 /nfs/dbraw/zinc/18/19/14/411181914.db2.gz YKFURCRXSKGICV-QMMMGPOBSA-N 1 2 248.290 0.886 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](C)CCO ZINC000656127647 411183429 /nfs/dbraw/zinc/18/34/29/411183429.db2.gz SHNJGRZZUUUTPX-ZETCQYMHSA-N 1 2 211.265 0.976 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCOC1 ZINC000656149615 411187237 /nfs/dbraw/zinc/18/72/37/411187237.db2.gz FDMJPBBRVPDRGV-LURJTMIESA-N 1 2 234.263 0.146 20 0 BCADLO COC1([C@H](C)[NH2+]Cc2nnn(C)n2)CCC1 ZINC000657994092 411192226 /nfs/dbraw/zinc/19/22/26/411192226.db2.gz BLBWXTGCHOSNHF-QMMMGPOBSA-N 1 2 225.296 0.257 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCC(=O)N2)n1 ZINC000653847101 411199014 /nfs/dbraw/zinc/19/90/14/411199014.db2.gz SELWPEZEQWTPBH-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCC(=O)N2)n1 ZINC000653847101 411199017 /nfs/dbraw/zinc/19/90/17/411199017.db2.gz SELWPEZEQWTPBH-CBAPKCEASA-N 1 2 238.291 0.649 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653869495 411202298 /nfs/dbraw/zinc/20/22/98/411202298.db2.gz RROXSZQJOJIXFR-NNYUYHANSA-N 1 2 238.331 0.622 20 0 BCADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653869495 411202300 /nfs/dbraw/zinc/20/23/00/411202300.db2.gz RROXSZQJOJIXFR-NNYUYHANSA-N 1 2 238.331 0.622 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](O)C1 ZINC000656198421 411203094 /nfs/dbraw/zinc/20/30/94/411203094.db2.gz WDFHEHCCQHOMAQ-OCAPTIKFSA-N 1 2 209.249 0.729 20 0 BCADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCO1 ZINC000653875216 411205806 /nfs/dbraw/zinc/20/58/06/411205806.db2.gz RQCDGJXKBDNAKU-NXEZZACHSA-N 1 2 239.323 0.647 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)CCNC(C)=O ZINC000656203241 411207641 /nfs/dbraw/zinc/20/76/41/411207641.db2.gz FWKPJYQYFFKLLG-UHFFFAOYSA-N 1 2 238.291 0.366 20 0 BCADLO CO[C@](C)(CO)CNc1cc[nH+]c2ccncc12 ZINC000656207283 411208545 /nfs/dbraw/zinc/20/85/45/411208545.db2.gz VPIYDCKIQFVNCI-ZDUSSCGKSA-N 1 2 247.298 0.861 20 0 BCADLO CO[C@@](C)(CO)CNc1cc[nH+]c(C)n1 ZINC000656206743 411209063 /nfs/dbraw/zinc/20/90/63/411209063.db2.gz RMQCHJPSOXVLRZ-SNVBAGLBSA-N 1 2 211.265 0.594 20 0 BCADLO Cc1noc(C[N@@H+](C)CCc2cnn(C)c2)n1 ZINC000653889332 411209536 /nfs/dbraw/zinc/20/95/36/411209536.db2.gz ZYFXXIXDGOUCLA-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1noc(C[N@H+](C)CCc2cnn(C)c2)n1 ZINC000653889332 411209538 /nfs/dbraw/zinc/20/95/38/411209538.db2.gz ZYFXXIXDGOUCLA-UHFFFAOYSA-N 1 2 235.291 0.786 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H](O)C(C)C)n1 ZINC000653889325 411209575 /nfs/dbraw/zinc/20/95/75/411209575.db2.gz ZMADXIXSSRSZFA-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H](O)C(C)C)n1 ZINC000653889325 411209579 /nfs/dbraw/zinc/20/95/79/411209579.db2.gz ZMADXIXSSRSZFA-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)n1C ZINC000653895671 411213349 /nfs/dbraw/zinc/21/33/49/411213349.db2.gz CGEIYDCJRKLEJV-QMMMGPOBSA-N 1 2 224.308 0.469 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](C)O)C2CC2)n1C ZINC000653895671 411213352 /nfs/dbraw/zinc/21/33/52/411213352.db2.gz CGEIYDCJRKLEJV-QMMMGPOBSA-N 1 2 224.308 0.469 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1ncnn1C)C1CC1 ZINC000653898488 411214404 /nfs/dbraw/zinc/21/44/04/411214404.db2.gz JENHOKQUWLOTPB-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1ncnn1C)C1CC1 ZINC000653898488 411214406 /nfs/dbraw/zinc/21/44/06/411214406.db2.gz JENHOKQUWLOTPB-MRVPVSSYSA-N 1 2 210.281 0.160 20 0 BCADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H](C)O1 ZINC000631115167 411246669 /nfs/dbraw/zinc/24/66/69/411246669.db2.gz IYPYDNFBNPYSIN-APPZFPTMSA-N 1 2 237.307 0.766 20 0 BCADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@@H](C)O1 ZINC000631115167 411246672 /nfs/dbraw/zinc/24/66/72/411246672.db2.gz IYPYDNFBNPYSIN-APPZFPTMSA-N 1 2 237.307 0.766 20 0 BCADLO Cn1cnnc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000656273167 411223735 /nfs/dbraw/zinc/22/37/35/411223735.db2.gz WAYIFGIPKUINHO-UHFFFAOYSA-N 1 2 239.298 0.439 20 0 BCADLO C[C@H](NS(=O)(=O)NC1CC1)c1[nH+]ccn1C ZINC000660098844 411230647 /nfs/dbraw/zinc/23/06/47/411230647.db2.gz CKSFCKJVHCEXQY-ZETCQYMHSA-N 1 2 244.320 0.068 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCC[C@H]1O ZINC000563898900 411231532 /nfs/dbraw/zinc/23/15/32/411231532.db2.gz SUPQHBNQKYKWKU-HTQZYQBOSA-N 1 2 248.290 0.271 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nccc(N)n1 ZINC000653776077 411166325 /nfs/dbraw/zinc/16/63/25/411166325.db2.gz QQAOKDJYDZJPFR-IWSPIJDZSA-N 1 2 238.291 0.123 20 0 BCADLO CO[C@H](C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661709259 411266311 /nfs/dbraw/zinc/26/63/11/411266311.db2.gz ZZZMPSWGPVVZGN-RKDXNWHRSA-N 1 2 240.307 0.815 20 0 BCADLO CCc1nn(C)cc1C[NH2+]Cc1cc[nH]n1 ZINC000092390899 411268929 /nfs/dbraw/zinc/26/89/29/411268929.db2.gz ZJMWKJJYVNWMOR-UHFFFAOYSA-N 1 2 219.292 0.995 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2COC(C)(C)C2)n1 ZINC000658157905 411271135 /nfs/dbraw/zinc/27/11/35/411271135.db2.gz UZWMYUJLRUGADF-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2COC(C)(C)C2)[nH]1 ZINC000658157905 411271136 /nfs/dbraw/zinc/27/11/36/411271136.db2.gz UZWMYUJLRUGADF-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CCOC2(C)C)n1 ZINC000658158308 411271596 /nfs/dbraw/zinc/27/15/96/411271596.db2.gz XWUJEAMFTOVIFF-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CCOC2(C)C)[nH]1 ZINC000658158308 411271601 /nfs/dbraw/zinc/27/16/01/411271601.db2.gz XWUJEAMFTOVIFF-MRVPVSSYSA-N 1 2 240.307 0.608 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1CC1CC1 ZINC000656464573 411271870 /nfs/dbraw/zinc/27/18/70/411271870.db2.gz PSZZYRPZSQCRHM-SNVBAGLBSA-N 1 2 208.265 0.349 20 0 BCADLO CC[C@H](COC)[NH2+]Cc1nc(COC)n[nH]1 ZINC000658159218 411272243 /nfs/dbraw/zinc/27/22/43/411272243.db2.gz NXGWITKUGHWDPW-MRVPVSSYSA-N 1 2 228.296 0.466 20 0 BCADLO CC[C@H](COC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159218 411272246 /nfs/dbraw/zinc/27/22/46/411272246.db2.gz NXGWITKUGHWDPW-MRVPVSSYSA-N 1 2 228.296 0.466 20 0 BCADLO Cc1nc(NC[C@@H](C)CC(F)F)nc(N)[nH+]1 ZINC000631324065 411273098 /nfs/dbraw/zinc/27/30/98/411273098.db2.gz JQWWPXBFWJIEQB-YFKPBYRVSA-N 1 2 231.250 0.887 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)CC(F)F)[nH+]1 ZINC000631324065 411273099 /nfs/dbraw/zinc/27/30/99/411273099.db2.gz JQWWPXBFWJIEQB-YFKPBYRVSA-N 1 2 231.250 0.887 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@H]2C2CC2)nc(N)[nH+]1 ZINC000631304541 411274222 /nfs/dbraw/zinc/27/42/22/411274222.db2.gz VMPBHODBAQJHPR-IUCAKERBSA-N 1 2 219.292 0.642 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000631304541 411274227 /nfs/dbraw/zinc/27/42/27/411274227.db2.gz VMPBHODBAQJHPR-IUCAKERBSA-N 1 2 219.292 0.642 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1O ZINC000660166388 411274310 /nfs/dbraw/zinc/27/43/10/411274310.db2.gz SCZPWJMEOPPEGV-GXSJLCMTSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1O ZINC000660166388 411274316 /nfs/dbraw/zinc/27/43/16/411274316.db2.gz SCZPWJMEOPPEGV-GXSJLCMTSA-N 1 2 238.335 0.846 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000660165941 411274560 /nfs/dbraw/zinc/27/45/60/411274560.db2.gz NQAMJHXFOSBNRR-VGMNWLOBSA-N 1 2 224.308 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000660165941 411274562 /nfs/dbraw/zinc/27/45/62/411274562.db2.gz NQAMJHXFOSBNRR-VGMNWLOBSA-N 1 2 224.308 0.741 20 0 BCADLO Cc1nc(NC[C@@H]2C[C@H]2C(C)C)nc(N)[nH+]1 ZINC000631302890 411274579 /nfs/dbraw/zinc/27/45/79/411274579.db2.gz VAHZRTWFTNUYDH-IUCAKERBSA-N 1 2 221.308 0.888 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]2C(C)C)[nH+]1 ZINC000631302890 411274581 /nfs/dbraw/zinc/27/45/81/411274581.db2.gz VAHZRTWFTNUYDH-IUCAKERBSA-N 1 2 221.308 0.888 20 0 BCADLO Cc1nc(N2CCC[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000631273508 411283091 /nfs/dbraw/zinc/28/30/91/411283091.db2.gz POMCVGJQTLXKGM-JGVFFNPUSA-N 1 2 205.265 0.751 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000631273508 411283094 /nfs/dbraw/zinc/28/30/94/411283094.db2.gz POMCVGJQTLXKGM-JGVFFNPUSA-N 1 2 205.265 0.751 20 0 BCADLO Cc1nc(N2CCOCC3(CCC3)C2)nc(N)[nH+]1 ZINC000631208472 411283169 /nfs/dbraw/zinc/28/31/69/411283169.db2.gz AOZGWAYFEVPYGZ-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CCOCC3(CCC3)C2)[nH+]1 ZINC000631208472 411283172 /nfs/dbraw/zinc/28/31/72/411283172.db2.gz AOZGWAYFEVPYGZ-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO CN(CCCn1cc[nH+]c1)c1ncnn1C ZINC000653467942 411288573 /nfs/dbraw/zinc/28/85/73/411288573.db2.gz CSTADTXXSWBOHB-UHFFFAOYSA-N 1 2 220.280 0.538 20 0 BCADLO O=C(NC/C=C/CO)NCCCn1cc[nH+]c1 ZINC000656542194 411294737 /nfs/dbraw/zinc/29/47/37/411294737.db2.gz CCXKLRNLDKROCY-OWOJBTEDSA-N 1 2 238.291 0.121 20 0 BCADLO CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000656542398 411294742 /nfs/dbraw/zinc/29/47/42/411294742.db2.gz GFCBJDSWGJQKQT-VHSXEESVSA-N 1 2 229.324 0.415 20 0 BCADLO CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000656542398 411294743 /nfs/dbraw/zinc/29/47/43/411294743.db2.gz GFCBJDSWGJQKQT-VHSXEESVSA-N 1 2 229.324 0.415 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC/C=C\CO ZINC000656543501 411299497 /nfs/dbraw/zinc/29/94/97/411299497.db2.gz RCCKVKTXGMCMSZ-MXQLGCADSA-N 1 2 238.291 0.119 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2cn(C)nn2)O1 ZINC000661744338 411301842 /nfs/dbraw/zinc/30/18/42/411301842.db2.gz GLEYWLBTCUQUSR-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cn(C)nn2)O1 ZINC000661744338 411301843 /nfs/dbraw/zinc/30/18/43/411301843.db2.gz GLEYWLBTCUQUSR-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CCN(C)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000660578523 411330747 /nfs/dbraw/zinc/33/07/47/411330747.db2.gz MOYJATSVHJUGML-UHFFFAOYSA-N 1 2 222.292 0.177 20 0 BCADLO CC(=O)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659828101 411310791 /nfs/dbraw/zinc/31/07/91/411310791.db2.gz FBRBVYYCDKLJJG-JTQLQIEISA-N 1 2 248.273 0.575 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000659828830 411311801 /nfs/dbraw/zinc/31/18/01/411311801.db2.gz IVKDBOUCBOJOCI-DTWKUNHWSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000659828830 411311804 /nfs/dbraw/zinc/31/18/04/411311804.db2.gz IVKDBOUCBOJOCI-DTWKUNHWSA-N 1 2 224.308 0.885 20 0 BCADLO CCN(CC(=O)N(C)C)Cc1cn(C)c[nH+]1 ZINC000659838624 411317752 /nfs/dbraw/zinc/31/77/52/411317752.db2.gz NKULPQFRZIMJFZ-UHFFFAOYSA-N 1 2 224.308 0.330 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cscn1 ZINC000656682500 411321321 /nfs/dbraw/zinc/32/13/21/411321321.db2.gz SQQDMEIXYIDTFY-RQJHMYQMSA-N 1 2 211.290 0.682 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000659839404 411322829 /nfs/dbraw/zinc/32/28/29/411322829.db2.gz WODHGUNRDHXMDS-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000659839404 411322835 /nfs/dbraw/zinc/32/28/35/411322835.db2.gz WODHGUNRDHXMDS-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659839420 411323011 /nfs/dbraw/zinc/32/30/11/411323011.db2.gz WTDPICXTJZNAQK-UHFFFAOYSA-N 1 2 222.292 0.271 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659839420 411323014 /nfs/dbraw/zinc/32/30/14/411323014.db2.gz WTDPICXTJZNAQK-UHFFFAOYSA-N 1 2 222.292 0.271 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cnc2ccccc2n1 ZINC000659839622 411323401 /nfs/dbraw/zinc/32/34/01/411323401.db2.gz RONNCZWVRSXZTI-UHFFFAOYSA-N 1 2 230.271 0.547 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cnc2ccccc2n1 ZINC000659839622 411323404 /nfs/dbraw/zinc/32/34/04/411323404.db2.gz RONNCZWVRSXZTI-UHFFFAOYSA-N 1 2 230.271 0.547 20 0 BCADLO CN(CCn1ccccc1=O)Cc1[nH]cc[nH+]1 ZINC000660142762 411258407 /nfs/dbraw/zinc/25/84/07/411258407.db2.gz JHEPEMWBSMNDRB-UHFFFAOYSA-N 1 2 232.287 0.703 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@@H](CO)O1 ZINC000330364666 411258951 /nfs/dbraw/zinc/25/89/51/411258951.db2.gz UHRQEUDBHZPARI-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@@H](CO)O1 ZINC000330364666 411258954 /nfs/dbraw/zinc/25/89/54/411258954.db2.gz UHRQEUDBHZPARI-KOLCDFICSA-N 1 2 237.303 0.245 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033757 411349691 /nfs/dbraw/zinc/34/96/91/411349691.db2.gz LBKFXVHRKGCACM-ZJUUUORDSA-N 1 2 222.292 0.316 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033757 411349693 /nfs/dbraw/zinc/34/96/93/411349693.db2.gz LBKFXVHRKGCACM-ZJUUUORDSA-N 1 2 222.292 0.316 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038213 411353196 /nfs/dbraw/zinc/35/31/96/411353196.db2.gz VRBHTPHHMABMMC-ZJUUUORDSA-N 1 2 222.292 0.581 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038213 411353200 /nfs/dbraw/zinc/35/32/00/411353200.db2.gz VRBHTPHHMABMMC-ZJUUUORDSA-N 1 2 222.292 0.581 20 0 BCADLO Cc1nc(=NCc2[nH+]ccn2C(C)C)n(C)[nH]1 ZINC000656772071 411354398 /nfs/dbraw/zinc/35/43/98/411354398.db2.gz MTBDIKHXBIEOIG-UHFFFAOYSA-N 1 2 234.307 0.935 20 0 BCADLO CCCN(CC(N)=O)Cc1cn(C)c[nH+]1 ZINC000660616373 411355825 /nfs/dbraw/zinc/35/58/25/411355825.db2.gz CQKUDBJRIYUJCO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000660616373 411355828 /nfs/dbraw/zinc/35/58/28/411355828.db2.gz CQKUDBJRIYUJCO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cn(C)cn1 ZINC000660616373 411355833 /nfs/dbraw/zinc/35/58/33/411355833.db2.gz CQKUDBJRIYUJCO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO c1cnc2c(n1)CC[N@@H+](C[C@H]1COCCO1)C2 ZINC000662118942 411362842 /nfs/dbraw/zinc/36/28/42/411362842.db2.gz IKIYPMODJHMUNZ-JTQLQIEISA-N 1 2 235.287 0.250 20 0 BCADLO c1cnc2c(n1)CC[N@H+](C[C@H]1COCCO1)C2 ZINC000662118942 411362846 /nfs/dbraw/zinc/36/28/46/411362846.db2.gz IKIYPMODJHMUNZ-JTQLQIEISA-N 1 2 235.287 0.250 20 0 BCADLO CCC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582953 411336646 /nfs/dbraw/zinc/33/66/46/411336646.db2.gz CBCWMQHRUKVSMB-LLVKDONJSA-N 1 2 209.293 0.860 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCn2cncc2C1 ZINC000660583293 411338168 /nfs/dbraw/zinc/33/81/68/411338168.db2.gz JBLHYIYAYLUZLL-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CNC(=O)CCC[N@H+]1CCn2cncc2C1 ZINC000660583293 411338171 /nfs/dbraw/zinc/33/81/71/411338171.db2.gz JBLHYIYAYLUZLL-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CNC(=O)CCCN1CCn2c[nH+]cc2C1 ZINC000660583293 411338174 /nfs/dbraw/zinc/33/81/74/411338174.db2.gz JBLHYIYAYLUZLL-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ncnn1CCF ZINC000332700097 168000411 /nfs/dbraw/zinc/00/04/11/168000411.db2.gz MEBVWQWDUJMIBL-VIFPVBQESA-N 1 2 242.298 0.593 20 0 BCADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1ncnn1CCF ZINC000332700097 168000413 /nfs/dbraw/zinc/00/04/13/168000413.db2.gz MEBVWQWDUJMIBL-VIFPVBQESA-N 1 2 242.298 0.593 20 0 BCADLO CC1(O)CC(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000331429348 168065559 /nfs/dbraw/zinc/06/55/59/168065559.db2.gz MXFGXLJAGAQLQD-UHFFFAOYSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1noc(CCNc2nc(C)[nH+]cc2C)n1 ZINC000582496597 411378897 /nfs/dbraw/zinc/37/88/97/411378897.db2.gz HHZXACNCBVKEKD-UHFFFAOYSA-N 1 2 233.275 1.439 20 0 BCADLO C[C@H](C(=O)NC1CC(C)C1)[NH+]1CCOCC1 ZINC000335752967 168143744 /nfs/dbraw/zinc/14/37/44/168143744.db2.gz FOQICSPWSIIGFG-HSOILSAZSA-N 1 2 226.320 0.622 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000330862931 168198884 /nfs/dbraw/zinc/19/88/84/168198884.db2.gz QPHQRSZSXBGZNH-LLVKDONJSA-N 1 2 242.319 0.193 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000330862931 168198885 /nfs/dbraw/zinc/19/88/85/168198885.db2.gz QPHQRSZSXBGZNH-LLVKDONJSA-N 1 2 242.319 0.193 20 0 BCADLO COC[C@@H](C[N@H+](C)Cc1ccon1)OC ZINC000659946880 411389628 /nfs/dbraw/zinc/38/96/28/411389628.db2.gz JJGYEZHYDDTCDI-SNVBAGLBSA-N 1 2 214.265 0.768 20 0 BCADLO COC[C@@H](C[N@@H+](C)Cc1ccon1)OC ZINC000659946880 411389631 /nfs/dbraw/zinc/38/96/31/411389631.db2.gz JJGYEZHYDDTCDI-SNVBAGLBSA-N 1 2 214.265 0.768 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1ccon1)OC ZINC000659946879 411389701 /nfs/dbraw/zinc/38/97/01/411389701.db2.gz JJGYEZHYDDTCDI-JTQLQIEISA-N 1 2 214.265 0.768 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1ccon1)OC ZINC000659946879 411389702 /nfs/dbraw/zinc/38/97/02/411389702.db2.gz JJGYEZHYDDTCDI-JTQLQIEISA-N 1 2 214.265 0.768 20 0 BCADLO COC[C@H](OC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000659294644 411390225 /nfs/dbraw/zinc/39/02/25/411390225.db2.gz MSAKNIWYYOAHQN-QMMMGPOBSA-N 1 2 225.248 0.264 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@]1(O)CCSC1 ZINC000176753940 411384764 /nfs/dbraw/zinc/38/47/64/411384764.db2.gz KHBDQHULVQVJDF-SNVBAGLBSA-N 1 2 227.333 0.676 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654848060 411455029 /nfs/dbraw/zinc/45/50/29/411455029.db2.gz XEHWRROMLQDMRK-CYBMUJFWSA-N 1 2 242.363 0.996 20 0 BCADLO O=C([C@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000065164119 411460054 /nfs/dbraw/zinc/46/00/54/411460054.db2.gz POBYFHPTQSFZOA-SNVBAGLBSA-N 1 2 221.260 0.473 20 0 BCADLO O=C([C@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000065164119 411460058 /nfs/dbraw/zinc/46/00/58/411460058.db2.gz POBYFHPTQSFZOA-SNVBAGLBSA-N 1 2 221.260 0.473 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CO ZINC000654930488 411464492 /nfs/dbraw/zinc/46/44/92/411464492.db2.gz KKOFMCSQJNXGIB-SECBINFHSA-N 1 2 239.319 0.723 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CO ZINC000654930488 411464493 /nfs/dbraw/zinc/46/44/93/411464493.db2.gz KKOFMCSQJNXGIB-SECBINFHSA-N 1 2 239.319 0.723 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)N(C)C1CC1 ZINC000657028510 411394635 /nfs/dbraw/zinc/39/46/35/411394635.db2.gz QVQFEXOBOUUKCW-UHFFFAOYSA-N 1 2 244.320 0.181 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)N(C)C1CC1 ZINC000657028510 411394636 /nfs/dbraw/zinc/39/46/36/411394636.db2.gz QVQFEXOBOUUKCW-UHFFFAOYSA-N 1 2 244.320 0.181 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCC(=O)N(C)C ZINC000580843438 411397655 /nfs/dbraw/zinc/39/76/55/411397655.db2.gz DZTLIJJZKCPQHM-UHFFFAOYSA-N 1 2 222.292 0.984 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccon2)cn1 ZINC000055371795 411397871 /nfs/dbraw/zinc/39/78/71/411397871.db2.gz OWHWMFIKJPPLIP-UHFFFAOYSA-N 1 2 249.274 0.479 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccon2)cn1 ZINC000055371795 411397873 /nfs/dbraw/zinc/39/78/73/411397873.db2.gz OWHWMFIKJPPLIP-UHFFFAOYSA-N 1 2 249.274 0.479 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C)[C@H](C)CO1 ZINC000657088805 411403338 /nfs/dbraw/zinc/40/33/38/411403338.db2.gz GCHCTEGKGJFGFL-NXEZZACHSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C)[C@H](C)CO1 ZINC000657088805 411403342 /nfs/dbraw/zinc/40/33/42/411403342.db2.gz GCHCTEGKGJFGFL-NXEZZACHSA-N 1 2 229.324 0.367 20 0 BCADLO CCNS(=O)(=O)NCCc1c[nH+]ccc1C ZINC000657083974 411404244 /nfs/dbraw/zinc/40/42/44/411404244.db2.gz XRQNQRZWYODGBH-UHFFFAOYSA-N 1 2 243.332 0.376 20 0 BCADLO CN(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382528721 411409640 /nfs/dbraw/zinc/40/96/40/411409640.db2.gz RZZNNJSJUMABGM-LLVKDONJSA-N 1 2 241.335 0.465 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654908991 411462561 /nfs/dbraw/zinc/46/25/61/411462561.db2.gz QSAYDRQVXSSFSC-IUCAKERBSA-N 1 2 225.292 0.333 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654908991 411462565 /nfs/dbraw/zinc/46/25/65/411462565.db2.gz QSAYDRQVXSSFSC-IUCAKERBSA-N 1 2 225.292 0.333 20 0 BCADLO CC(C)n1cnc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000652726554 411427107 /nfs/dbraw/zinc/42/71/07/411427107.db2.gz AZWDQFCDLOPDEQ-UHFFFAOYSA-N 1 2 248.290 0.774 20 0 BCADLO CN(Cc1cnn(C)c1)Cc1cn(C)c[nH+]1 ZINC000659817656 411462997 /nfs/dbraw/zinc/46/29/97/411462997.db2.gz MQKGGQIJXRJJBH-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1csnn1 ZINC000306968059 411463488 /nfs/dbraw/zinc/46/34/88/411463488.db2.gz NSXQFCZPSYTABN-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1csnn1 ZINC000306968059 411463490 /nfs/dbraw/zinc/46/34/90/411463490.db2.gz NSXQFCZPSYTABN-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCn2cccn2)n1 ZINC000336730456 411441066 /nfs/dbraw/zinc/44/10/66/411441066.db2.gz DPRFUQJEUXNKGF-MRVPVSSYSA-N 1 2 221.264 0.925 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000660374203 411443576 /nfs/dbraw/zinc/44/35/76/411443576.db2.gz UWJBSYWPDAGXBA-VHSXEESVSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000660374203 411443580 /nfs/dbraw/zinc/44/35/80/411443580.db2.gz UWJBSYWPDAGXBA-VHSXEESVSA-N 1 2 242.319 0.242 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657292292 411452941 /nfs/dbraw/zinc/45/29/41/411452941.db2.gz LSOVYWHLQYOWRW-UHFFFAOYSA-N 1 2 237.307 0.181 20 0 BCADLO CNC(=O)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000653632870 411453058 /nfs/dbraw/zinc/45/30/58/411453058.db2.gz FCALEZKMMBMZNH-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CNC(=O)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000653632870 411453063 /nfs/dbraw/zinc/45/30/63/411453063.db2.gz FCALEZKMMBMZNH-QMMMGPOBSA-N 1 2 236.262 0.215 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657294724 411454570 /nfs/dbraw/zinc/45/45/70/411454570.db2.gz JHSUITCBJXGETN-ZJUUUORDSA-N 1 2 236.319 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657294724 411454572 /nfs/dbraw/zinc/45/45/72/411454572.db2.gz JHSUITCBJXGETN-ZJUUUORDSA-N 1 2 236.319 0.978 20 0 BCADLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)on1 ZINC000659831748 411468438 /nfs/dbraw/zinc/46/84/38/411468438.db2.gz VBGNGGJLBWQJDL-SECBINFHSA-N 1 2 239.275 0.523 20 0 BCADLO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)on1 ZINC000659831748 411468439 /nfs/dbraw/zinc/46/84/39/411468439.db2.gz VBGNGGJLBWQJDL-SECBINFHSA-N 1 2 239.275 0.523 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1=CC=NCC1=O ZINC000654972821 411468697 /nfs/dbraw/zinc/46/86/97/411468697.db2.gz MZYLHJNXEISHED-QMMMGPOBSA-N 1 2 246.270 0.750 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1=CC=NCC1=O ZINC000654972821 411468700 /nfs/dbraw/zinc/46/87/00/411468700.db2.gz MZYLHJNXEISHED-QMMMGPOBSA-N 1 2 246.270 0.750 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)CO ZINC000655002646 411473885 /nfs/dbraw/zinc/47/38/85/411473885.db2.gz PNDQYNFMGVWGNG-ZETCQYMHSA-N 1 2 247.245 0.332 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)(F)CO ZINC000655002646 411473887 /nfs/dbraw/zinc/47/38/87/411473887.db2.gz PNDQYNFMGVWGNG-ZETCQYMHSA-N 1 2 247.245 0.332 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)[C@@H](C)CO ZINC000339627435 169939708 /nfs/dbraw/zinc/93/97/08/169939708.db2.gz NYJHQVZKXPGMLG-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)[C@@H](C)CO ZINC000339627435 169939709 /nfs/dbraw/zinc/93/97/09/169939709.db2.gz NYJHQVZKXPGMLG-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000659872497 411484198 /nfs/dbraw/zinc/48/41/98/411484198.db2.gz BAHGJQHLDSZLCW-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000659872497 411484200 /nfs/dbraw/zinc/48/42/00/411484200.db2.gz BAHGJQHLDSZLCW-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO COC(C)(C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657376081 411486502 /nfs/dbraw/zinc/48/65/02/411486502.db2.gz BUZRFXLXQZKSAH-UHFFFAOYSA-N 1 2 241.339 0.943 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC000659880341 411489243 /nfs/dbraw/zinc/48/92/43/411489243.db2.gz MTTRYNRVAHOTCL-JGVFFNPUSA-N 1 2 210.281 0.495 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC000659880341 411489244 /nfs/dbraw/zinc/48/92/44/411489244.db2.gz MTTRYNRVAHOTCL-JGVFFNPUSA-N 1 2 210.281 0.495 20 0 BCADLO C[N@H+](CC(=O)Nc1cnccn1)[C@H]1CCOC1 ZINC000659907500 411493518 /nfs/dbraw/zinc/49/35/18/411493518.db2.gz GYNVOHZFANAJJM-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO C[N@@H+](CC(=O)Nc1cnccn1)[C@H]1CCOC1 ZINC000659907500 411493521 /nfs/dbraw/zinc/49/35/21/411493521.db2.gz GYNVOHZFANAJJM-VIFPVBQESA-N 1 2 236.275 0.136 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917624 411498342 /nfs/dbraw/zinc/49/83/42/411498342.db2.gz HPILCHWGEZDLKK-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917624 411498346 /nfs/dbraw/zinc/49/83/46/411498346.db2.gz HPILCHWGEZDLKK-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1nn(C)cc1C ZINC000655126338 411500209 /nfs/dbraw/zinc/50/02/09/411500209.db2.gz FHWBDQHLSIYAIW-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CN1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000659946983 411500345 /nfs/dbraw/zinc/50/03/45/411500345.db2.gz KOGHGPOOYCODJT-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO CN1CC[N@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000659946983 411500347 /nfs/dbraw/zinc/50/03/47/411500347.db2.gz KOGHGPOOYCODJT-VIFPVBQESA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H](O)C(C)(C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657420412 411502082 /nfs/dbraw/zinc/50/20/82/411502082.db2.gz PELNWVFNYYCNGE-QMMMGPOBSA-N 1 2 241.339 0.677 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]Cc2ncn(C)n2)CO1 ZINC000657422552 411502933 /nfs/dbraw/zinc/50/29/33/411502933.db2.gz XONBVTOAHPMFBQ-DTWKUNHWSA-N 1 2 210.281 0.472 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CCc1cnn[nH]1 ZINC000659944981 411505412 /nfs/dbraw/zinc/50/54/12/411505412.db2.gz QRCHYXFRNIUSFO-QMMMGPOBSA-N 1 2 212.322 0.785 20 0 BCADLO C[C@H]1CSCC[N@H+]1CCc1cnn[nH]1 ZINC000659944981 411505414 /nfs/dbraw/zinc/50/54/14/411505414.db2.gz QRCHYXFRNIUSFO-QMMMGPOBSA-N 1 2 212.322 0.785 20 0 BCADLO CC(C)(O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657439690 411508363 /nfs/dbraw/zinc/50/83/63/411508363.db2.gz MCSDXDZWNHVJNP-UHFFFAOYSA-N 1 2 241.339 0.679 20 0 BCADLO CCN1OC[C@H]([NH+]2C[C@H](C)S[C@@H](C)C2)C1=O ZINC000659959686 411512812 /nfs/dbraw/zinc/51/28/12/411512812.db2.gz HZAUVXMLSJSLLI-GUBZILKMSA-N 1 2 244.360 0.975 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC2(S(C)(=O)=O)CC2)n1 ZINC000657457279 411521344 /nfs/dbraw/zinc/52/13/44/411521344.db2.gz TTWGCMQJLYKGPW-UHFFFAOYSA-N 1 2 243.332 0.385 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCOC2)n1 ZINC000655814316 411523761 /nfs/dbraw/zinc/52/37/61/411523761.db2.gz LIDHOHUQAHBVIC-QMMMGPOBSA-N 1 2 225.296 0.307 20 0 BCADLO C[C@@H](CCO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655814138 411523819 /nfs/dbraw/zinc/52/38/19/411523819.db2.gz LAHLKCWLBIWBTO-QMMMGPOBSA-N 1 2 227.312 0.289 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000660008960 411527261 /nfs/dbraw/zinc/52/72/61/411527261.db2.gz IVKQPMWIDBFELT-KOLCDFICSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000660008960 411527263 /nfs/dbraw/zinc/52/72/63/411527263.db2.gz IVKQPMWIDBFELT-KOLCDFICSA-N 1 2 240.303 0.819 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCCOC ZINC000370373607 170001482 /nfs/dbraw/zinc/00/14/82/170001482.db2.gz KBDWDXLRGHJNCP-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C(C)C ZINC000336574134 170001424 /nfs/dbraw/zinc/00/14/24/170001424.db2.gz IGCUASIUDNADCK-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1C(C)C ZINC000336574134 170001426 /nfs/dbraw/zinc/00/14/26/170001426.db2.gz IGCUASIUDNADCK-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC1CC1 ZINC000377176067 170001466 /nfs/dbraw/zinc/00/14/66/170001466.db2.gz QXDHTFRULMKFQS-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC1CC1 ZINC000377176067 170001468 /nfs/dbraw/zinc/00/14/68/170001468.db2.gz QXDHTFRULMKFQS-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCCOC ZINC000370373607 170001481 /nfs/dbraw/zinc/00/14/81/170001481.db2.gz KBDWDXLRGHJNCP-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C(C)C ZINC000336574132 170001640 /nfs/dbraw/zinc/00/16/40/170001640.db2.gz IGCUASIUDNADCK-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C(C)C ZINC000336574132 170001641 /nfs/dbraw/zinc/00/16/41/170001641.db2.gz IGCUASIUDNADCK-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CCC1 ZINC000336253409 170002118 /nfs/dbraw/zinc/00/21/18/170002118.db2.gz IYHROUUCRCHVIX-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CCC1 ZINC000336253409 170002121 /nfs/dbraw/zinc/00/21/21/170002121.db2.gz IYHROUUCRCHVIX-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC(C)=O)C1 ZINC000362788305 170006129 /nfs/dbraw/zinc/00/61/29/170006129.db2.gz OSGYGJSTBYJZTA-KOLCDFICSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC(C)=O)C1 ZINC000362788305 170006131 /nfs/dbraw/zinc/00/61/31/170006131.db2.gz OSGYGJSTBYJZTA-KOLCDFICSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OC(C)C)C1 ZINC000359795495 170006585 /nfs/dbraw/zinc/00/65/85/170006585.db2.gz HYFCBUFAENZBJO-VIFPVBQESA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OC(C)C)C1 ZINC000359795495 170006586 /nfs/dbraw/zinc/00/65/86/170006586.db2.gz HYFCBUFAENZBJO-VIFPVBQESA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC(C)=O)C1 ZINC000362788307 170006920 /nfs/dbraw/zinc/00/69/20/170006920.db2.gz OSGYGJSTBYJZTA-ONGXEEELSA-N 1 2 242.319 0.191 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC(C)=O)C1 ZINC000362788307 170006921 /nfs/dbraw/zinc/00/69/21/170006921.db2.gz OSGYGJSTBYJZTA-ONGXEEELSA-N 1 2 242.319 0.191 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000660119612 411538996 /nfs/dbraw/zinc/53/89/96/411538996.db2.gz RFKCMARAAHKPAV-UHFFFAOYSA-N 1 2 218.264 0.129 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000660119612 411538998 /nfs/dbraw/zinc/53/89/98/411538998.db2.gz RFKCMARAAHKPAV-UHFFFAOYSA-N 1 2 218.264 0.129 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000660119679 411539709 /nfs/dbraw/zinc/53/97/09/411539709.db2.gz UFUZQGJPTLLEPM-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000660119679 411539710 /nfs/dbraw/zinc/53/97/10/411539710.db2.gz UFUZQGJPTLLEPM-GHMZBOCLSA-N 1 2 236.319 0.706 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000308579787 170034651 /nfs/dbraw/zinc/03/46/51/170034651.db2.gz GBICXLRCBORVFN-QWRGUYRKSA-N 1 2 200.326 0.953 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCn2cccn2)[C@@H](C)C1 ZINC000309494844 170035332 /nfs/dbraw/zinc/03/53/32/170035332.db2.gz YDJQAZRMAYMCHU-RYUDHWBXSA-N 1 2 222.336 0.813 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCNC(=O)C(C)C)[C@@H](C)C1 ZINC000358141499 170035630 /nfs/dbraw/zinc/03/56/30/170035630.db2.gz YSHNRMHOUPXFSV-RYUDHWBXSA-N 1 2 241.379 0.688 20 0 BCADLO CC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000332415983 170040743 /nfs/dbraw/zinc/04/07/43/170040743.db2.gz QJLNBJGRRMLZFS-BDAKNGLRSA-N 1 2 210.281 0.895 20 0 BCADLO CC[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000332415983 170040744 /nfs/dbraw/zinc/04/07/44/170040744.db2.gz QJLNBJGRRMLZFS-BDAKNGLRSA-N 1 2 210.281 0.895 20 0 BCADLO CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271535783 170042079 /nfs/dbraw/zinc/04/20/79/170042079.db2.gz GOXQEQWTMBAJHF-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335901686 170043169 /nfs/dbraw/zinc/04/31/69/170043169.db2.gz XCBQGEQCPIIIDF-UHFFFAOYSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000133494177 170054543 /nfs/dbraw/zinc/05/45/43/170054543.db2.gz OAMRSNYLZRABGF-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000133494177 170054544 /nfs/dbraw/zinc/05/45/44/170054544.db2.gz OAMRSNYLZRABGF-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180393828 170055265 /nfs/dbraw/zinc/05/52/65/170055265.db2.gz HNMQJSKXUQARRA-SECBINFHSA-N 1 2 224.308 0.549 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000180393828 170055266 /nfs/dbraw/zinc/05/52/66/170055266.db2.gz HNMQJSKXUQARRA-SECBINFHSA-N 1 2 224.308 0.549 20 0 BCADLO CCNC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000361518272 170058506 /nfs/dbraw/zinc/05/85/06/170058506.db2.gz IWEJHPBRYJYOCG-UHFFFAOYSA-N 1 2 240.303 0.518 20 0 BCADLO CCNC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000361518272 170058507 /nfs/dbraw/zinc/05/85/07/170058507.db2.gz IWEJHPBRYJYOCG-UHFFFAOYSA-N 1 2 240.303 0.518 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373402283 170059490 /nfs/dbraw/zinc/05/94/90/170059490.db2.gz IDYWXGBZCVUUMA-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000072055230 170060079 /nfs/dbraw/zinc/06/00/79/170060079.db2.gz MHKQFAQPHNCRIQ-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000072055230 170060080 /nfs/dbraw/zinc/06/00/80/170060080.db2.gz MHKQFAQPHNCRIQ-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115741532 170060087 /nfs/dbraw/zinc/06/00/87/170060087.db2.gz VRSXUJKVMLKTCV-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115741532 170060088 /nfs/dbraw/zinc/06/00/88/170060088.db2.gz VRSXUJKVMLKTCV-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000368448171 170061485 /nfs/dbraw/zinc/06/14/85/170061485.db2.gz YHHKJLZHIWOCIJ-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000368448171 170061487 /nfs/dbraw/zinc/06/14/87/170061487.db2.gz YHHKJLZHIWOCIJ-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO O=C1NCC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000657525949 411543099 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/nfs/dbraw/zinc/54/40/26/411544026.db2.gz CCJQNZRIPAQJJD-UHFFFAOYSA-N 1 2 220.280 0.722 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259425 170078305 /nfs/dbraw/zinc/07/83/05/170078305.db2.gz ADGVXHIZSMMZPS-JGVFFNPUSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000336259425 170078306 /nfs/dbraw/zinc/07/83/06/170078306.db2.gz ADGVXHIZSMMZPS-JGVFFNPUSA-N 1 2 231.271 0.264 20 0 BCADLO CCNC(=O)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283712240 170086562 /nfs/dbraw/zinc/08/65/62/170086562.db2.gz YXAQKRIWPYBRNK-WTSVBCDHSA-N 1 2 236.275 0.064 20 0 BCADLO CN(Cc1cn[nH]c1)Cc1cn(C)c[nH+]1 ZINC000660092182 411536024 /nfs/dbraw/zinc/53/60/24/411536024.db2.gz OFLFQADLIYPKMN-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000112338964 170088414 /nfs/dbraw/zinc/08/84/14/170088414.db2.gz SEYMUAKHPKOWOI-MRVPVSSYSA-N 1 2 210.281 0.034 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000345356334 170089210 /nfs/dbraw/zinc/08/92/10/170089210.db2.gz USBQNUWDUWUTBX-BDAKNGLRSA-N 1 2 222.292 0.442 20 0 BCADLO CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000330646572 170099377 /nfs/dbraw/zinc/09/93/77/170099377.db2.gz GUVDODCPAPLBOI-VIFPVBQESA-N 1 2 210.281 0.159 20 0 BCADLO CCN(C)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660098867 411537560 /nfs/dbraw/zinc/53/75/60/411537560.db2.gz CUKFIEITXVERAH-QMMMGPOBSA-N 1 2 246.336 0.267 20 0 BCADLO COCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660101242 411537580 /nfs/dbraw/zinc/53/75/80/411537580.db2.gz PWCIUVQPOQJZCM-VIFPVBQESA-N 1 2 240.307 0.769 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000660222621 411555754 /nfs/dbraw/zinc/55/57/54/411555754.db2.gz WSSUSPVHBBVFSX-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000660222621 411555755 /nfs/dbraw/zinc/55/57/55/411555755.db2.gz WSSUSPVHBBVFSX-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000660222620 411555943 /nfs/dbraw/zinc/55/59/43/411555943.db2.gz WSSUSPVHBBVFSX-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000660222620 411555944 /nfs/dbraw/zinc/55/59/44/411555944.db2.gz WSSUSPVHBBVFSX-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO Cn1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1=O ZINC000660143900 411544687 /nfs/dbraw/zinc/54/46/87/411544687.db2.gz ICCFBIIYWJBRJS-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO Cn1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1=O ZINC000660143900 411544693 /nfs/dbraw/zinc/54/46/93/411544693.db2.gz ICCFBIIYWJBRJS-UHFFFAOYSA-N 1 2 232.287 0.740 20 0 BCADLO C[N@H+](CCCN1CCCC1=O)Cc1ncc[nH]1 ZINC000660144637 411544778 /nfs/dbraw/zinc/54/47/78/411544778.db2.gz WXSCBXRKBAXDGH-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[N@@H+](CCCN1CCCC1=O)Cc1ncc[nH]1 ZINC000660144637 411544780 /nfs/dbraw/zinc/54/47/80/411544780.db2.gz WXSCBXRKBAXDGH-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC(=O)N1 ZINC000660141998 411545042 /nfs/dbraw/zinc/54/50/42/411545042.db2.gz LPXPBJUPDBRZIW-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC(=O)N1 ZINC000660141998 411545044 /nfs/dbraw/zinc/54/50/44/411545044.db2.gz LPXPBJUPDBRZIW-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC(=O)N1 ZINC000660141998 411545045 /nfs/dbraw/zinc/54/50/45/411545045.db2.gz LPXPBJUPDBRZIW-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO Cn1cnc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000660149219 411545975 /nfs/dbraw/zinc/54/59/75/411545975.db2.gz VPMDHTKOPSSBLV-LBPRGKRZSA-N 1 2 248.330 0.617 20 0 BCADLO Cn1cnc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000660149219 411545976 /nfs/dbraw/zinc/54/59/76/411545976.db2.gz VPMDHTKOPSSBLV-LBPRGKRZSA-N 1 2 248.330 0.617 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](C(F)F)C2)C1=O ZINC000660147923 411546354 /nfs/dbraw/zinc/54/63/54/411546354.db2.gz QYOPXVSOCZYUCV-HTQZYQBOSA-N 1 2 234.246 0.736 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](C(F)F)C2)C1=O ZINC000660147923 411546356 /nfs/dbraw/zinc/54/63/56/411546356.db2.gz QYOPXVSOCZYUCV-HTQZYQBOSA-N 1 2 234.246 0.736 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCCOC ZINC000121503904 170187076 /nfs/dbraw/zinc/18/70/76/170187076.db2.gz NCAMGYFVURURNC-UHFFFAOYSA-N 1 2 203.282 0.954 20 0 BCADLO CCOC(=O)C(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000270077915 170187148 /nfs/dbraw/zinc/18/71/48/170187148.db2.gz KUXTYCGXMNJJJY-UHFFFAOYSA-N 1 2 239.275 0.790 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352760809 170207355 /nfs/dbraw/zinc/20/73/55/170207355.db2.gz RBNOUOFHDLNIKZ-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352760809 170207357 /nfs/dbraw/zinc/20/73/57/170207357.db2.gz RBNOUOFHDLNIKZ-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO CCOC(=O)CC[NH2+][C@](C)(CC)C(=O)OC ZINC000336778349 170210183 /nfs/dbraw/zinc/21/01/83/170210183.db2.gz LDKVLOIPHAZIFH-LLVKDONJSA-N 1 2 231.292 0.871 20 0 BCADLO CCOC(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000342171523 170217278 /nfs/dbraw/zinc/21/72/78/170217278.db2.gz QVGFTEHSVGFXBV-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000342171523 170217279 /nfs/dbraw/zinc/21/72/79/170217279.db2.gz QVGFTEHSVGFXBV-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000341893719 170219753 /nfs/dbraw/zinc/21/97/53/170219753.db2.gz SJBRLYRBXXWHDC-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000341893719 170219754 /nfs/dbraw/zinc/21/97/54/170219754.db2.gz SJBRLYRBXXWHDC-SECBINFHSA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291257345 170221086 /nfs/dbraw/zinc/22/10/86/170221086.db2.gz MQDYAXFZEVXICC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291257345 170221087 /nfs/dbraw/zinc/22/10/87/170221087.db2.gz MQDYAXFZEVXICC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000377983282 170221334 /nfs/dbraw/zinc/22/13/34/170221334.db2.gz BWOMDNHCYHPOQX-VIFPVBQESA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000377983282 170221336 /nfs/dbraw/zinc/22/13/36/170221336.db2.gz BWOMDNHCYHPOQX-VIFPVBQESA-N 1 2 243.303 0.681 20 0 BCADLO CCOC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000374710592 170221878 /nfs/dbraw/zinc/22/18/78/170221878.db2.gz DQZRZNIPXVZFBE-UHFFFAOYSA-N 1 2 223.276 0.570 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@@H]2CCCO2)C1=O ZINC000660312821 411567665 /nfs/dbraw/zinc/56/76/65/411567665.db2.gz UGIKZSSWVZKFQM-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@@H]2CCCO2)C1=O ZINC000660312821 411567667 /nfs/dbraw/zinc/56/76/67/411567667.db2.gz UGIKZSSWVZKFQM-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCOC[C@H]1OCC ZINC000309489737 170227170 /nfs/dbraw/zinc/22/71/70/170227170.db2.gz WSRMYXBIQLMBJF-VHSXEESVSA-N 1 2 231.292 0.333 20 0 BCADLO CCOC(=O)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360373787 170233277 /nfs/dbraw/zinc/23/32/77/170233277.db2.gz ABZFHQZAXARMFV-VIFPVBQESA-N 1 2 239.275 0.341 20 0 BCADLO COC[C@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000660237999 411557399 /nfs/dbraw/zinc/55/73/99/411557399.db2.gz DTSFDIYLQULLEK-NSHDSACASA-N 1 2 239.319 0.669 20 0 BCADLO COC[C@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000660237999 411557401 /nfs/dbraw/zinc/55/74/01/411557401.db2.gz DTSFDIYLQULLEK-NSHDSACASA-N 1 2 239.319 0.669 20 0 BCADLO COc1cc(C[N@H+](C)[C@]2(CO)CCOC2)on1 ZINC000660239787 411557543 /nfs/dbraw/zinc/55/75/43/411557543.db2.gz TUBOGLNFTMTKEZ-NSHDSACASA-N 1 2 242.275 0.266 20 0 BCADLO COc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)on1 ZINC000660239787 411557545 /nfs/dbraw/zinc/55/75/45/411557545.db2.gz TUBOGLNFTMTKEZ-NSHDSACASA-N 1 2 242.275 0.266 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227173 170250121 /nfs/dbraw/zinc/25/01/21/170250121.db2.gz ZMKJJXQCYZYERY-RKDXNWHRSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227173 170250122 /nfs/dbraw/zinc/25/01/22/170250122.db2.gz ZMKJJXQCYZYERY-RKDXNWHRSA-N 1 2 228.292 0.148 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1=O ZINC000660240772 411558478 /nfs/dbraw/zinc/55/84/78/411558478.db2.gz CXWJYCVXEQOCSQ-GXSJLCMTSA-N 1 2 235.287 0.895 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCNC(=O)CC1 ZINC000082761109 170250376 /nfs/dbraw/zinc/25/03/76/170250376.db2.gz ZNDHXBCLNVDPFO-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CCNC(=O)CC1 ZINC000082761109 170250377 /nfs/dbraw/zinc/25/03/77/170250377.db2.gz ZNDHXBCLNVDPFO-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CO[C@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660246435 411559042 /nfs/dbraw/zinc/55/90/42/411559042.db2.gz XFGAEQKEYDFPMU-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CO[C@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660246435 411559043 /nfs/dbraw/zinc/55/90/43/411559043.db2.gz XFGAEQKEYDFPMU-NSHDSACASA-N 1 2 224.308 0.848 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000052395940 170258526 /nfs/dbraw/zinc/25/85/26/170258526.db2.gz BDTIKYPSSWWSPX-NXEZZACHSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000052395940 170258528 /nfs/dbraw/zinc/25/85/28/170258528.db2.gz BDTIKYPSSWWSPX-NXEZZACHSA-N 1 2 241.287 0.577 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000274687703 170261209 /nfs/dbraw/zinc/26/12/09/170261209.db2.gz ZBQLAVGHJRWHCD-NSHDSACASA-N 1 2 231.267 0.860 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000274687703 170261211 /nfs/dbraw/zinc/26/12/11/170261211.db2.gz ZBQLAVGHJRWHCD-NSHDSACASA-N 1 2 231.267 0.860 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCOCC12CC2 ZINC000338595182 170261483 /nfs/dbraw/zinc/26/14/83/170261483.db2.gz CPLOGGSNHSNWEZ-NSHDSACASA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCOCC12CC2 ZINC000338595182 170261484 /nfs/dbraw/zinc/26/14/84/170261484.db2.gz CPLOGGSNHSNWEZ-NSHDSACASA-N 1 2 243.303 0.165 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cnccn1 ZINC000271286098 170265875 /nfs/dbraw/zinc/26/58/75/170265875.db2.gz BDUCAOJSBSGSSB-JTQLQIEISA-N 1 2 237.303 0.903 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cnccn1 ZINC000271286098 170265876 /nfs/dbraw/zinc/26/58/76/170265876.db2.gz BDUCAOJSBSGSSB-JTQLQIEISA-N 1 2 237.303 0.903 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043638878 170266063 /nfs/dbraw/zinc/26/60/63/170266063.db2.gz IFOPJXZZTUXVNJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043638878 170266065 /nfs/dbraw/zinc/26/60/65/170266065.db2.gz IFOPJXZZTUXVNJ-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374715063 170267331 /nfs/dbraw/zinc/26/73/31/170267331.db2.gz YXRQAWUKTMTLEF-JTQLQIEISA-N 1 2 237.303 0.959 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000362012425 170268281 /nfs/dbraw/zinc/26/82/81/170268281.db2.gz HAVUMMOXLMKSPZ-AXFHLTTASA-N 1 2 245.319 0.722 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000122654490 170268518 /nfs/dbraw/zinc/26/85/18/170268518.db2.gz WBUNGRFVNLBZFS-CIUDSAMLSA-N 1 2 203.282 0.545 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000362012428 170268548 /nfs/dbraw/zinc/26/85/48/170268548.db2.gz HAVUMMOXLMKSPZ-HBNTYKKESA-N 1 2 245.319 0.722 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227171 170272191 /nfs/dbraw/zinc/27/21/91/170272191.db2.gz ZMKJJXQCYZYERY-DTWKUNHWSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227171 170272192 /nfs/dbraw/zinc/27/21/92/170272192.db2.gz ZMKJJXQCYZYERY-DTWKUNHWSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)O)[C@H]1CCCOC1 ZINC000337202289 170277557 /nfs/dbraw/zinc/27/75/57/170277557.db2.gz GRLPCITUXZREER-GARJFASQSA-N 1 2 245.319 0.315 20 0 BCADLO CCN1OC[C@H]([NH2+][C@H](C)c2cn[nH]c2)C1=O ZINC000660273839 411563384 /nfs/dbraw/zinc/56/33/84/411563384.db2.gz MDPDUSFUKBGJEP-APPZFPTMSA-N 1 2 224.264 0.223 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccco1 ZINC000657605089 411563566 /nfs/dbraw/zinc/56/35/66/411563566.db2.gz QYWKQCXJJOKDPZ-NXEZZACHSA-N 1 2 245.300 0.181 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC=C(F)C1 ZINC000274687701 170283394 /nfs/dbraw/zinc/28/33/94/170283394.db2.gz ZBQLAVGHJRWHCD-LLVKDONJSA-N 1 2 231.267 0.860 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCC=C(F)C1 ZINC000274687701 170283396 /nfs/dbraw/zinc/28/33/96/170283396.db2.gz ZBQLAVGHJRWHCD-LLVKDONJSA-N 1 2 231.267 0.860 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)C2CC(O)C2)[nH]1 ZINC000660278071 411564823 /nfs/dbraw/zinc/56/48/23/411564823.db2.gz KIOVAKIIKWNDND-AFPNSQJFSA-N 1 2 224.308 0.883 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)C2CC(O)C2)[nH]1 ZINC000660278071 411564824 /nfs/dbraw/zinc/56/48/24/411564824.db2.gz KIOVAKIIKWNDND-AFPNSQJFSA-N 1 2 224.308 0.883 20 0 BCADLO CCOC1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000291447159 170327271 /nfs/dbraw/zinc/32/72/71/170327271.db2.gz KUMLCBKPWYELED-UHFFFAOYSA-N 1 2 237.303 0.909 20 0 BCADLO CCOCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000070254942 170347313 /nfs/dbraw/zinc/34/73/13/170347313.db2.gz MEKWNXMIUHUWBK-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO CCOCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152638587 170347333 /nfs/dbraw/zinc/34/73/33/170347333.db2.gz DYSCJDXJFLEKCF-NSHDSACASA-N 1 2 249.314 0.813 20 0 BCADLO CCOCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267000237 170361338 /nfs/dbraw/zinc/36/13/38/170361338.db2.gz YGPLVXNCXNQPMU-UHFFFAOYSA-N 1 2 211.265 0.761 20 0 BCADLO CCOCCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000357882442 170374677 /nfs/dbraw/zinc/37/46/77/170374677.db2.gz DUOHIVGRZXATMT-IINYFYTJSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000357882442 170374679 /nfs/dbraw/zinc/37/46/79/170374679.db2.gz DUOHIVGRZXATMT-IINYFYTJSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000357882447 170374993 /nfs/dbraw/zinc/37/49/93/170374993.db2.gz DUOHIVGRZXATMT-QMTHXVAHSA-N 1 2 219.350 0.866 20 0 BCADLO CCOCCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000357882447 170374995 /nfs/dbraw/zinc/37/49/95/170374995.db2.gz DUOHIVGRZXATMT-QMTHXVAHSA-N 1 2 219.350 0.866 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660331825 411570275 /nfs/dbraw/zinc/57/02/75/411570275.db2.gz XYSHRKILUFYJSI-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660331825 411570276 /nfs/dbraw/zinc/57/02/76/411570276.db2.gz XYSHRKILUFYJSI-IUCAKERBSA-N 1 2 248.273 0.573 20 0 BCADLO CCOCC[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000093312041 170391239 /nfs/dbraw/zinc/39/12/39/170391239.db2.gz SGPMVWWJHSCCRC-UHFFFAOYSA-N 1 2 239.319 0.801 20 0 BCADLO CCOCC[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000093312041 170391240 /nfs/dbraw/zinc/39/12/40/170391240.db2.gz SGPMVWWJHSCCRC-UHFFFAOYSA-N 1 2 239.319 0.801 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)CN(C2CC2)C1=O ZINC000663328417 411626468 /nfs/dbraw/zinc/62/64/68/411626468.db2.gz QZKUJQMZNHDEDK-QMMMGPOBSA-N 1 2 248.286 0.908 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247991173 170405935 /nfs/dbraw/zinc/40/59/35/170405935.db2.gz JJUUWMCXZLIDQJ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247991173 170405936 /nfs/dbraw/zinc/40/59/36/170405936.db2.gz JJUUWMCXZLIDQJ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CCn1nccc1C[NH2+]Cc1nccnc1OC ZINC000663349932 411635030 /nfs/dbraw/zinc/63/50/30/411635030.db2.gz VLNHJAXXDMBONL-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO Cc1cc(NCC(=O)N2CCCO2)nc[nH+]1 ZINC000624324538 411643965 /nfs/dbraw/zinc/64/39/65/411643965.db2.gz NTOLQRRWAZSZMB-UHFFFAOYSA-N 1 2 222.248 0.361 20 0 BCADLO Cc1cc(NC2COCCOC2)nc(C2CC2)[nH+]1 ZINC000644137539 411645528 /nfs/dbraw/zinc/64/55/28/411645528.db2.gz RLPPIRVVQPVZLT-UHFFFAOYSA-N 1 2 249.314 1.490 20 0 BCADLO CCN1CCCN(Cc2cn(C)c[nH+]2)CC1=O ZINC000660387585 411577770 /nfs/dbraw/zinc/57/77/70/411577770.db2.gz CBMHYTLNQMUGJW-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO c1cc(C[N@@H+]2CCc3nn[nH]c3C2)n[nH]1 ZINC000660388818 411577920 /nfs/dbraw/zinc/57/79/20/411577920.db2.gz ZFLXCAXGHZWPHO-UHFFFAOYSA-N 1 2 204.237 0.086 20 0 BCADLO c1cc(C[N@H+]2CCc3nn[nH]c3C2)n[nH]1 ZINC000660388818 411577922 /nfs/dbraw/zinc/57/79/22/411577922.db2.gz ZFLXCAXGHZWPHO-UHFFFAOYSA-N 1 2 204.237 0.086 20 0 BCADLO O[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000657704723 411584103 /nfs/dbraw/zinc/58/41/03/411584103.db2.gz HYAPHULOKZZBPI-NXEZZACHSA-N 1 2 207.277 0.803 20 0 BCADLO O=C1CC[C@@H](C[NH2+]Cc2n[nH]c3ccccc32)N1 ZINC000657711752 411585742 /nfs/dbraw/zinc/58/57/42/411585742.db2.gz JVUJBACXLSRIDK-VIFPVBQESA-N 1 2 244.298 0.931 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1coc(S(N)(=O)=O)c1 ZINC000660449789 411586561 /nfs/dbraw/zinc/58/65/61/411586561.db2.gz ZVRXFBSLJWIGSG-HTQZYQBOSA-N 1 2 244.316 0.910 20 0 BCADLO O=c1[nH]nc(C2CC[NH+](Cc3cc[nH]n3)CC2)[nH]1 ZINC000660450324 411586919 /nfs/dbraw/zinc/58/69/19/411586919.db2.gz RIPSVGZKBSDHCC-UHFFFAOYSA-N 1 2 248.290 0.613 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCCO)[nH]1 ZINC000660477266 411591006 /nfs/dbraw/zinc/59/10/06/411591006.db2.gz OKAUMMXNSXMTRN-MRVPVSSYSA-N 1 2 212.297 0.742 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCCO)[nH]1 ZINC000660477266 411591008 /nfs/dbraw/zinc/59/10/08/411591008.db2.gz OKAUMMXNSXMTRN-MRVPVSSYSA-N 1 2 212.297 0.742 20 0 BCADLO FC1(F)C[C@H]1OCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660485218 411592626 /nfs/dbraw/zinc/59/26/26/411592626.db2.gz DHHDHVPJMCOQRF-KXUCPTDWSA-N 1 2 249.257 0.510 20 0 BCADLO FC1(F)C[C@H]1OCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660485218 411592627 /nfs/dbraw/zinc/59/26/27/411592627.db2.gz DHHDHVPJMCOQRF-KXUCPTDWSA-N 1 2 249.257 0.510 20 0 BCADLO FC1(F)C[C@@H]1OCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660485216 411592629 /nfs/dbraw/zinc/59/26/29/411592629.db2.gz DHHDHVPJMCOQRF-AEJSXWLSSA-N 1 2 249.257 0.510 20 0 BCADLO FC1(F)C[C@@H]1OCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660485216 411592630 /nfs/dbraw/zinc/59/26/30/411592630.db2.gz DHHDHVPJMCOQRF-AEJSXWLSSA-N 1 2 249.257 0.510 20 0 BCADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657790768 411597618 /nfs/dbraw/zinc/59/76/18/411597618.db2.gz UUIJWKWQHHGDOH-KCJUWKMLSA-N 1 2 239.323 0.695 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)[C@@H]1C ZINC000660640224 411610960 /nfs/dbraw/zinc/61/09/60/411610960.db2.gz OBNLSWKIPGAUDJ-RKDXNWHRSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)[C@@H]1C ZINC000660640224 411610961 /nfs/dbraw/zinc/61/09/61/411610961.db2.gz OBNLSWKIPGAUDJ-RKDXNWHRSA-N 1 2 220.276 0.755 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nnn(C(C)(C)C)n1 ZINC000661093787 411705246 /nfs/dbraw/zinc/70/52/46/411705246.db2.gz RYXJTSLNNYAYBV-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nnn(C(C)(C)C)n1 ZINC000661093787 411705248 /nfs/dbraw/zinc/70/52/48/411705248.db2.gz RYXJTSLNNYAYBV-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO CCOC1CC(O)(CNc2cc(C)[nH+]cn2)C1 ZINC000443954697 411709878 /nfs/dbraw/zinc/70/98/78/411709878.db2.gz CLNKPVFMFGKXGN-UHFFFAOYSA-N 1 2 237.303 1.127 20 0 BCADLO Cc1cc(NCCn2ncnn2)nc(C2CC2)[nH+]1 ZINC000352047999 411649140 /nfs/dbraw/zinc/64/91/40/411649140.db2.gz ZKQNKDOZKDTQLP-UHFFFAOYSA-N 1 2 245.290 0.761 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660832391 411649353 /nfs/dbraw/zinc/64/93/53/411649353.db2.gz WQPKZANCLRDZFA-NXEZZACHSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1C[C@@H](CO)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660832391 411649359 /nfs/dbraw/zinc/64/93/59/411649359.db2.gz WQPKZANCLRDZFA-NXEZZACHSA-N 1 2 224.308 0.298 20 0 BCADLO Cc1cc(NCc2nnnn2CC2CC2)nc[nH+]1 ZINC000545319127 411652189 /nfs/dbraw/zinc/65/21/89/411652189.db2.gz AFBOEQNSFAFQSA-UHFFFAOYSA-N 1 2 245.290 0.794 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000267167270 170509469 /nfs/dbraw/zinc/50/94/69/170509469.db2.gz HFCQYSZEXMXTLN-WPRPVWTQSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1cc(NC[C@](C)(O)C2CC2)nc[nH+]1 ZINC000380110830 411652624 /nfs/dbraw/zinc/65/26/24/411652624.db2.gz RVOSEZCGZRTRIR-NSHDSACASA-N 1 2 207.277 1.358 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C(C)(C)C ZINC000660843451 411652900 /nfs/dbraw/zinc/65/29/00/411652900.db2.gz YATIPKVEHCJOGZ-SSDOTTSWSA-N 1 2 229.280 0.614 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C(C)(C)C ZINC000660843451 411652904 /nfs/dbraw/zinc/65/29/04/411652904.db2.gz YATIPKVEHCJOGZ-SSDOTTSWSA-N 1 2 229.280 0.614 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCO1 ZINC000660848836 411655523 /nfs/dbraw/zinc/65/55/23/411655523.db2.gz BZYQRVRAYRZDIG-SSDOTTSWSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCCO1 ZINC000660848836 411655528 /nfs/dbraw/zinc/65/55/28/411655528.db2.gz BZYQRVRAYRZDIG-SSDOTTSWSA-N 1 2 213.237 0.386 20 0 BCADLO C[N@H+](CCc1ccccn1)Cc1n[nH]c(=O)o1 ZINC000660849696 411655928 /nfs/dbraw/zinc/65/59/28/411655928.db2.gz JIBFFULCIRJBJR-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO C[N@@H+](CCc1ccccn1)Cc1n[nH]c(=O)o1 ZINC000660849696 411655930 /nfs/dbraw/zinc/65/59/30/411655930.db2.gz JIBFFULCIRJBJR-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO COC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849680 411656073 /nfs/dbraw/zinc/65/60/73/411656073.db2.gz PSPYRESLRKCJEA-ZCFIWIBFSA-N 1 2 201.226 0.242 20 0 BCADLO COC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849680 411656078 /nfs/dbraw/zinc/65/60/78/411656078.db2.gz PSPYRESLRKCJEA-ZCFIWIBFSA-N 1 2 201.226 0.242 20 0 BCADLO Cc1cc(N[C@H]2CNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000547708373 411658813 /nfs/dbraw/zinc/65/88/13/411658813.db2.gz HDARWHKRYLESGN-SECBINFHSA-N 1 2 232.287 0.963 20 0 BCADLO CO[C@@H]1COC[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000413451524 411670993 /nfs/dbraw/zinc/67/09/93/411670993.db2.gz DJVTYZZXZQZMLR-VHSXEESVSA-N 1 2 237.303 1.426 20 0 BCADLO Cn1cnc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000660924737 411674526 /nfs/dbraw/zinc/67/45/26/411674526.db2.gz XVPWPOOTZMQPAD-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1cnc(C[N@H+]2CCn3nncc3C2)c1 ZINC000660924737 411674530 /nfs/dbraw/zinc/67/45/30/411674530.db2.gz XVPWPOOTZMQPAD-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000590296347 411675745 /nfs/dbraw/zinc/67/57/45/411675745.db2.gz XMKXMWUDBZUSNX-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000590296347 411675747 /nfs/dbraw/zinc/67/57/47/411675747.db2.gz XMKXMWUDBZUSNX-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCc2c[nH]nn2)n1 ZINC000660926710 411676501 /nfs/dbraw/zinc/67/65/01/411676501.db2.gz RBRAOBQJPPYDGC-SSDOTTSWSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCc2c[nH]nn2)n1 ZINC000660926710 411676505 /nfs/dbraw/zinc/67/65/05/411676505.db2.gz RBRAOBQJPPYDGC-SSDOTTSWSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCc2cn[nH]n2)n1 ZINC000660926710 411676507 /nfs/dbraw/zinc/67/65/07/411676507.db2.gz RBRAOBQJPPYDGC-SSDOTTSWSA-N 1 2 236.279 0.732 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCc2cn[nH]n2)n1 ZINC000660926710 411676510 /nfs/dbraw/zinc/67/65/10/411676510.db2.gz RBRAOBQJPPYDGC-SSDOTTSWSA-N 1 2 236.279 0.732 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC1(CO)CC1 ZINC000395842189 411678504 /nfs/dbraw/zinc/67/85/04/411678504.db2.gz OUHOIQCFPXYOQF-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC1(CO)CC1 ZINC000395842189 411678512 /nfs/dbraw/zinc/67/85/12/411678512.db2.gz OUHOIQCFPXYOQF-UHFFFAOYSA-N 1 2 238.291 0.642 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H](C)CO ZINC000583423381 411679765 /nfs/dbraw/zinc/67/97/65/411679765.db2.gz KYAFPXVYPLFVLK-ZETCQYMHSA-N 1 2 237.303 1.464 20 0 BCADLO COc1c(N)[nH+]cnc1NCC12CC(C1)CO2 ZINC000528185300 411679913 /nfs/dbraw/zinc/67/99/13/411679913.db2.gz QIXPYIMYCAQUFP-UHFFFAOYSA-N 1 2 236.275 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1NCC12CC(C1)CO2 ZINC000528185300 411679919 /nfs/dbraw/zinc/67/99/19/411679919.db2.gz QIXPYIMYCAQUFP-UHFFFAOYSA-N 1 2 236.275 0.658 20 0 BCADLO Cc1ccc(CCNc2nccc(CO)n2)c[nH+]1 ZINC000547339705 411680038 /nfs/dbraw/zinc/68/00/38/411680038.db2.gz NMCOYOFGEAKQDF-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930853 411681197 /nfs/dbraw/zinc/68/11/97/411681197.db2.gz KGFMYEMYSMMYCN-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930853 411681200 /nfs/dbraw/zinc/68/12/00/411681200.db2.gz KGFMYEMYSMMYCN-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ncoc1C ZINC000397966255 411681966 /nfs/dbraw/zinc/68/19/66/411681966.db2.gz XSWMESAEEXNFLH-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ncoc1C ZINC000397966255 411681971 /nfs/dbraw/zinc/68/19/71/411681971.db2.gz XSWMESAEEXNFLH-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO OC1CC(CNc2[nH+]cnc3c2OCCN3)C1 ZINC000528222454 411686084 /nfs/dbraw/zinc/68/60/84/411686084.db2.gz ZJJMFGBXXWSTLT-UHFFFAOYSA-N 1 2 236.275 0.464 20 0 BCADLO OC1CC(CNc2nc[nH+]c3c2OCCN3)C1 ZINC000528222454 411686088 /nfs/dbraw/zinc/68/60/88/411686088.db2.gz ZJJMFGBXXWSTLT-UHFFFAOYSA-N 1 2 236.275 0.464 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)O ZINC000661042226 411691555 /nfs/dbraw/zinc/69/15/55/411691555.db2.gz XLYVBMYMHDOSSQ-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)O ZINC000661042226 411691557 /nfs/dbraw/zinc/69/15/57/411691557.db2.gz XLYVBMYMHDOSSQ-UHFFFAOYSA-N 1 2 240.307 0.712 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)no1 ZINC000661143793 411718329 /nfs/dbraw/zinc/71/83/29/411718329.db2.gz ASOHONILLQUUOV-SNVBAGLBSA-N 1 2 248.290 0.492 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)no1 ZINC000661143793 411718332 /nfs/dbraw/zinc/71/83/32/411718332.db2.gz ASOHONILLQUUOV-SNVBAGLBSA-N 1 2 248.290 0.492 20 0 BCADLO OCc1ccc(NCCC[C@@H]2CCO2)[nH+]c1 ZINC000639132216 411692731 /nfs/dbraw/zinc/69/27/31/411692731.db2.gz INOZAPUIEKRXKV-LLVKDONJSA-N 1 2 222.288 1.555 20 0 BCADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000336693966 411695791 /nfs/dbraw/zinc/69/57/91/411695791.db2.gz YIBVNUIVLMLNNX-ZETCQYMHSA-N 1 2 229.230 1.392 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661084216 411697175 /nfs/dbraw/zinc/69/71/75/411697175.db2.gz CFOVEWKNRWPCCN-JTQLQIEISA-N 1 2 213.281 0.239 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661084216 411697180 /nfs/dbraw/zinc/69/71/80/411697180.db2.gz CFOVEWKNRWPCCN-JTQLQIEISA-N 1 2 213.281 0.239 20 0 BCADLO CN(CC(=O)N1CCCCC1)Cc1c[nH+]c[nH]1 ZINC000661085552 411697242 /nfs/dbraw/zinc/69/72/42/411697242.db2.gz MELSEXZJRTXARV-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO CN(CC(=O)N1CCCCC1)Cc1c[nH]c[nH+]1 ZINC000661085552 411697245 /nfs/dbraw/zinc/69/72/45/411697245.db2.gz MELSEXZJRTXARV-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO Cn1ncnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000663537738 411700891 /nfs/dbraw/zinc/70/08/91/411700891.db2.gz BDSFKBMFWXZYEW-JTQLQIEISA-N 1 2 232.291 0.853 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1COCCO1 ZINC000661089683 411701770 /nfs/dbraw/zinc/70/17/70/411701770.db2.gz FNEPUXFZGWIPTL-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1COCCO1 ZINC000661089683 411701775 /nfs/dbraw/zinc/70/17/75/411701775.db2.gz FNEPUXFZGWIPTL-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1COCCO1 ZINC000661089683 411701780 /nfs/dbraw/zinc/70/17/80/411701780.db2.gz FNEPUXFZGWIPTL-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1COCCO1 ZINC000661089683 411701784 /nfs/dbraw/zinc/70/17/84/411701784.db2.gz FNEPUXFZGWIPTL-SNVBAGLBSA-N 1 2 211.265 0.257 20 0 BCADLO CC[C@@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000420633457 411732711 /nfs/dbraw/zinc/73/27/11/411732711.db2.gz YMUGTPKIHLIRJY-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BCADLO CC[C@@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000420633457 411732716 /nfs/dbraw/zinc/73/27/16/411732716.db2.gz YMUGTPKIHLIRJY-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCc1cnn(C)c1 ZINC000570826566 411734453 /nfs/dbraw/zinc/73/44/53/411734453.db2.gz GYZSMRZCZKTBAU-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(=O)N(C)C ZINC000572060535 411734526 /nfs/dbraw/zinc/73/45/26/411734526.db2.gz OGNPTUHQHSNAJN-UHFFFAOYSA-N 1 2 208.265 0.594 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCn1ccnn1 ZINC000568251189 411735529 /nfs/dbraw/zinc/73/55/29/411735529.db2.gz KOBJCFUMTWYRGM-UHFFFAOYSA-N 1 2 232.291 1.187 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@H](C)c1nncn1C ZINC000562143844 411736071 /nfs/dbraw/zinc/73/60/71/411736071.db2.gz BFULBXYZMPCARB-VIFPVBQESA-N 1 2 246.318 1.438 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)c1nc[nH]n1 ZINC000578473584 411736109 /nfs/dbraw/zinc/73/61/09/411736109.db2.gz AVXNSJSOXQTRFS-ZETCQYMHSA-N 1 2 218.264 1.385 20 0 BCADLO Cc1c[nH+]c(C)nc1NCC(C)(C)OCCO ZINC000577191707 411736579 /nfs/dbraw/zinc/73/65/79/411736579.db2.gz UAXCLDLIDLMPFQ-UHFFFAOYSA-N 1 2 239.319 1.293 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1ncn(C)n1 ZINC000565229187 411738997 /nfs/dbraw/zinc/73/89/97/411738997.db2.gz LFTPJIOTAZUSAY-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000661260974 411744765 /nfs/dbraw/zinc/74/47/65/411744765.db2.gz JFEVCPFYYPVABV-SNVBAGLBSA-N 1 2 238.291 0.730 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCO1 ZINC000661260974 411744767 /nfs/dbraw/zinc/74/47/67/411744767.db2.gz JFEVCPFYYPVABV-SNVBAGLBSA-N 1 2 238.291 0.730 20 0 BCADLO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccon1 ZINC000309440952 170618036 /nfs/dbraw/zinc/61/80/36/170618036.db2.gz ILRKCXHYLOODMI-QMMMGPOBSA-N 1 2 247.320 0.265 20 0 BCADLO COc1cc[nH+]cc1CNc1nnc(C)c(C)n1 ZINC000431420939 411764312 /nfs/dbraw/zinc/76/43/12/411764312.db2.gz IOSOPHDBTGTWQX-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BCADLO CCc1cc(NCC(=O)N2CCCO2)nc[nH+]1 ZINC000624323792 411766700 /nfs/dbraw/zinc/76/67/00/411766700.db2.gz CDIMFQOQONHKBT-UHFFFAOYSA-N 1 2 236.275 0.615 20 0 BCADLO CCc1cc(NCCC(=O)NC(N)=O)nc[nH+]1 ZINC000610713924 411767918 /nfs/dbraw/zinc/76/79/18/411767918.db2.gz NCXLIDDPEURWAQ-UHFFFAOYSA-N 1 2 237.263 0.036 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@H]2C(F)F)[nH+]1 ZINC000343837980 411768142 /nfs/dbraw/zinc/76/81/42/411768142.db2.gz GGWLWIAKCLBFBZ-BQBZGAKWSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000343837980 411768145 /nfs/dbraw/zinc/76/81/45/411768145.db2.gz GGWLWIAKCLBFBZ-BQBZGAKWSA-N 1 2 243.261 1.312 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC000645391067 411768592 /nfs/dbraw/zinc/76/85/92/411768592.db2.gz BNDZOZCLZFRBDL-IONNQARKSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@H]2CO[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000645391067 411768596 /nfs/dbraw/zinc/76/85/96/411768596.db2.gz BNDZOZCLZFRBDL-IONNQARKSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC000631426550 411768719 /nfs/dbraw/zinc/76/87/19/411768719.db2.gz CAMYODNINYPCKN-KYZUINATSA-N 1 2 237.307 0.429 20 0 BCADLO Cc1nc(N[C@H]2C[C@@H](CO)C2)nc(N(C)C)[nH+]1 ZINC000631426550 411768722 /nfs/dbraw/zinc/76/87/22/411768722.db2.gz CAMYODNINYPCKN-KYZUINATSA-N 1 2 237.307 0.429 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)C(F)F)[nH+]1 ZINC000641729978 411768997 /nfs/dbraw/zinc/76/89/97/411768997.db2.gz PVTWSKVMIPDYGZ-RXMQYKEDSA-N 1 2 231.250 1.312 20 0 BCADLO Cc1nc(N[C@H](C)C(F)F)nc(N(C)C)[nH+]1 ZINC000641729978 411769001 /nfs/dbraw/zinc/76/90/01/411769001.db2.gz PVTWSKVMIPDYGZ-RXMQYKEDSA-N 1 2 231.250 1.312 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661400261 411769117 /nfs/dbraw/zinc/76/91/17/411769117.db2.gz PLLFDUZXWYUVHA-OPRDCNLKSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661400261 411769121 /nfs/dbraw/zinc/76/91/21/411769121.db2.gz PLLFDUZXWYUVHA-OPRDCNLKSA-N 1 2 235.274 0.992 20 0 BCADLO Cn1c[nH+]c(CN2CC[C@H](O)C(F)(F)C2)c1 ZINC000661405527 411769454 /nfs/dbraw/zinc/76/94/54/411769454.db2.gz FPFASYTWZVEQMD-VIFPVBQESA-N 1 2 231.246 0.622 20 0 BCADLO CCc1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000398328347 411769815 /nfs/dbraw/zinc/76/98/15/411769815.db2.gz GOFXRSKCNMQGTD-QMMMGPOBSA-N 1 2 220.276 0.587 20 0 BCADLO Cc1cc(NCCc2nc(N)n[nH]2)nc[nH+]1 ZINC000663919989 411775878 /nfs/dbraw/zinc/77/58/78/411775878.db2.gz JWJJIRWXLSSIQE-UHFFFAOYSA-N 1 2 219.252 0.140 20 0 BCADLO Cc1nc2[nH]ccc2c(NCC(F)(F)CO)[nH+]1 ZINC000341549746 411776835 /nfs/dbraw/zinc/77/68/35/411776835.db2.gz CXGWSSLNHLWXOU-UHFFFAOYSA-N 1 2 242.229 1.306 20 0 BCADLO CNC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661463104 411780424 /nfs/dbraw/zinc/78/04/24/411780424.db2.gz NHHWHYXPJFDRNE-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CNC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661463104 411780426 /nfs/dbraw/zinc/78/04/26/411780426.db2.gz NHHWHYXPJFDRNE-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CC(C)CN1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC000663939176 411782417 /nfs/dbraw/zinc/78/24/17/411782417.db2.gz XYZCBOPWTNCCRI-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)CN1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC000663939176 411782419 /nfs/dbraw/zinc/78/24/19/411782419.db2.gz XYZCBOPWTNCCRI-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1ccc(=O)n(CCc2c[nH+]cn2C)n1 ZINC000663966958 411794032 /nfs/dbraw/zinc/79/40/32/411794032.db2.gz ICZMFGZOIWZGAD-UHFFFAOYSA-N 1 2 218.260 0.528 20 0 BCADLO Cc1nccnc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000566947468 411790821 /nfs/dbraw/zinc/79/08/21/411790821.db2.gz QYQNSRXEEDVAIO-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nccnc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000566947468 411790824 /nfs/dbraw/zinc/79/08/24/411790824.db2.gz QYQNSRXEEDVAIO-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO Cc1nc(C[NH2+][C@H](CO)C2CCC2)no1 ZINC000661157444 411721856 /nfs/dbraw/zinc/72/18/56/411721856.db2.gz ZNPJXRWAFMEULD-SECBINFHSA-N 1 2 211.265 0.629 20 0 BCADLO CS[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000336706861 411795067 /nfs/dbraw/zinc/79/50/67/411795067.db2.gz PWYIUMUPFINCSW-SSDOTTSWSA-N 1 2 241.364 1.409 20 0 BCADLO CS[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000336706861 411795070 /nfs/dbraw/zinc/79/50/70/411795070.db2.gz PWYIUMUPFINCSW-SSDOTTSWSA-N 1 2 241.364 1.409 20 0 BCADLO Cc1nnc(NCC[N@H+]2CCOC[C@H]2C)s1 ZINC000336722146 411796434 /nfs/dbraw/zinc/79/64/34/411796434.db2.gz APBCONWDUOEQBP-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1nnc(NCC[N@@H+]2CCOC[C@H]2C)s1 ZINC000336722146 411796437 /nfs/dbraw/zinc/79/64/37/411796437.db2.gz APBCONWDUOEQBP-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO CCN1CC[C@H]([NH+]2C[C@@H](C)C(=O)[C@H](C)C2)C1=O ZINC000661537462 411798723 /nfs/dbraw/zinc/79/87/23/411798723.db2.gz AYNYOQIKPLTBRU-MXWKQRLJSA-N 1 2 238.331 0.764 20 0 BCADLO CCCNC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661540389 411800040 /nfs/dbraw/zinc/80/00/40/411800040.db2.gz ZSGJUNRUZSUFKZ-NXEZZACHSA-N 1 2 226.320 0.670 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@H+]2C)nc1C ZINC000624621318 411802345 /nfs/dbraw/zinc/80/23/45/411802345.db2.gz YLTZHCMMGLOCSD-SNVBAGLBSA-N 1 2 237.307 0.231 20 0 BCADLO Cc1nnc(NC[C@@H]2COCC[N@@H+]2C)nc1C ZINC000624621318 411802347 /nfs/dbraw/zinc/80/23/47/411802347.db2.gz YLTZHCMMGLOCSD-SNVBAGLBSA-N 1 2 237.307 0.231 20 0 BCADLO CCC[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661577762 411807917 /nfs/dbraw/zinc/80/79/17/411807917.db2.gz FLADTSRQPIRFJC-OLZOCXBDSA-N 1 2 242.363 0.554 20 0 BCADLO Cc1cc(N[C@H](CO)c2ccnn2C)nc[nH+]1 ZINC000664000684 411808959 /nfs/dbraw/zinc/80/89/59/411808959.db2.gz BFZPJWZKTMVZPD-SECBINFHSA-N 1 2 233.275 0.664 20 0 BCADLO CSCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000577715383 411865464 /nfs/dbraw/zinc/86/54/64/411865464.db2.gz KGOOMKMADDWVKM-UHFFFAOYSA-N 1 2 240.332 0.737 20 0 BCADLO C[C@@H](CC(=O)Nc1ccc(=O)[nH]n1)n1cc[nH+]c1 ZINC000581013625 411813816 /nfs/dbraw/zinc/81/38/16/411813816.db2.gz CCFVYWOTNZQAMS-QMMMGPOBSA-N 1 2 247.258 0.969 20 0 BCADLO Cc1cc(N2CCO[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664021264 411817050 /nfs/dbraw/zinc/81/70/50/411817050.db2.gz ZCYADAWRMIOEHB-ZJUUUORDSA-N 1 2 223.276 0.371 20 0 BCADLO CCn1nncc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000661614400 411818973 /nfs/dbraw/zinc/81/89/73/411818973.db2.gz PPRHEGWEQQMMEY-LLVKDONJSA-N 1 2 240.307 0.145 20 0 BCADLO CCn1nncc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661614400 411818975 /nfs/dbraw/zinc/81/89/75/411818975.db2.gz PPRHEGWEQQMMEY-LLVKDONJSA-N 1 2 240.307 0.145 20 0 BCADLO C[C@H]1CN(CCc2c[nH+]cn2C)S(=O)(=O)C1 ZINC000664049164 411828896 /nfs/dbraw/zinc/82/88/96/411828896.db2.gz DAWGBEQQGDGNSV-VIFPVBQESA-N 1 2 243.332 0.244 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@@H](C)F)[nH+]cn1 ZINC000413290220 411831839 /nfs/dbraw/zinc/83/18/39/411831839.db2.gz BKJOWDFBRVWETF-RKDXNWHRSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@@H](C)F)nc[nH+]1 ZINC000413290220 411831842 /nfs/dbraw/zinc/83/18/42/411831842.db2.gz BKJOWDFBRVWETF-RKDXNWHRSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@@H]1CC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000553705286 411837648 /nfs/dbraw/zinc/83/76/48/411837648.db2.gz XQRUDRLAESYOJV-HTRCEHHLSA-N 1 2 232.291 1.156 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000438565946 411845688 /nfs/dbraw/zinc/84/56/88/411845688.db2.gz FPPUTNSMGDDMBV-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000664642984 411847267 /nfs/dbraw/zinc/84/72/67/411847267.db2.gz KXLPSKSMAKWKKS-OCAPTIKFSA-N 1 2 223.280 0.181 20 0 BCADLO Cc1nc(N[C@H]2C[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000664642984 411847270 /nfs/dbraw/zinc/84/72/70/411847270.db2.gz KXLPSKSMAKWKKS-OCAPTIKFSA-N 1 2 223.280 0.181 20 0 BCADLO Cc1cc[nH+]cc1Cn1cc(CO)nn1 ZINC000664085415 411848498 /nfs/dbraw/zinc/84/84/98/411848498.db2.gz BKOGHFAGYJKUPL-UHFFFAOYSA-N 1 2 204.233 0.522 20 0 BCADLO C/C=C/C[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631209956 411848699 /nfs/dbraw/zinc/84/86/99/411848699.db2.gz CPEYESPBFRQFFM-MPJRPATESA-N 1 2 223.280 0.501 20 0 BCADLO C/C=C/C[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631209956 411848701 /nfs/dbraw/zinc/84/87/01/411848701.db2.gz CPEYESPBFRQFFM-MPJRPATESA-N 1 2 223.280 0.501 20 0 BCADLO C/C=C\C[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631209962 411848931 /nfs/dbraw/zinc/84/89/31/411848931.db2.gz CPEYESPBFRQFFM-TUUFMJSCSA-N 1 2 223.280 0.501 20 0 BCADLO C/C=C\C[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631209962 411848935 /nfs/dbraw/zinc/84/89/35/411848935.db2.gz CPEYESPBFRQFFM-TUUFMJSCSA-N 1 2 223.280 0.501 20 0 BCADLO Cn1c[nH+]cc1CCn1cccc(F)c1=O ZINC000664086738 411849325 /nfs/dbraw/zinc/84/93/25/411849325.db2.gz PTZRWDWFUNMPAS-UHFFFAOYSA-N 1 2 221.235 0.964 20 0 BCADLO COc1ccc(CNc2nc(C)[nH+]c(N)n2)cc1 ZINC000393969594 411852844 /nfs/dbraw/zinc/85/28/44/411852844.db2.gz YUICKIVKAVRSOL-UHFFFAOYSA-N 1 2 245.286 0.805 20 0 BCADLO COc1ccc(CNc2nc(N)nc(C)[nH+]2)cc1 ZINC000393969594 411852847 /nfs/dbraw/zinc/85/28/47/411852847.db2.gz YUICKIVKAVRSOL-UHFFFAOYSA-N 1 2 245.286 0.805 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000565171954 411856899 /nfs/dbraw/zinc/85/68/99/411856899.db2.gz JRPLUSIQFIWKAD-PSASIEDQSA-N 1 2 249.318 0.330 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000565171954 411856907 /nfs/dbraw/zinc/85/69/07/411856907.db2.gz JRPLUSIQFIWKAD-PSASIEDQSA-N 1 2 249.318 0.330 20 0 BCADLO CC[N@H+](Cc1ccnc(N)c1)C1COC1 ZINC000411787028 411856966 /nfs/dbraw/zinc/85/69/66/411856966.db2.gz KNHCHYKGKHJKAD-UHFFFAOYSA-N 1 2 207.277 0.885 20 0 BCADLO CC[N@@H+](Cc1ccnc(N)c1)C1COC1 ZINC000411787028 411856971 /nfs/dbraw/zinc/85/69/71/411856971.db2.gz KNHCHYKGKHJKAD-UHFFFAOYSA-N 1 2 207.277 0.885 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661723093 411858064 /nfs/dbraw/zinc/85/80/64/411858064.db2.gz UJPKYALMHHWGBS-WCBMZHEXSA-N 1 2 225.317 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661723093 411858067 /nfs/dbraw/zinc/85/80/67/411858067.db2.gz UJPKYALMHHWGBS-WCBMZHEXSA-N 1 2 225.317 0.803 20 0 BCADLO COC1CC(CCNc2nc(C)[nH+]c(N)n2)C1 ZINC000631349497 411859714 /nfs/dbraw/zinc/85/97/14/411859714.db2.gz GIAFSCGATKLFJT-UHFFFAOYSA-N 1 2 237.307 0.411 20 0 BCADLO COC1CC(CCNc2nc(N)nc(C)[nH+]2)C1 ZINC000631349497 411859719 /nfs/dbraw/zinc/85/97/19/411859719.db2.gz GIAFSCGATKLFJT-UHFFFAOYSA-N 1 2 237.307 0.411 20 0 BCADLO COC(C)(C)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631130971 411861420 /nfs/dbraw/zinc/86/14/20/411861420.db2.gz OVIPRQLTHDBCNZ-SSDOTTSWSA-N 1 2 239.323 0.800 20 0 BCADLO COC(C)(C)C[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631130971 411861422 /nfs/dbraw/zinc/86/14/22/411861422.db2.gz OVIPRQLTHDBCNZ-SSDOTTSWSA-N 1 2 239.323 0.800 20 0 BCADLO COC(C)(C)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631130972 411861673 /nfs/dbraw/zinc/86/16/73/411861673.db2.gz OVIPRQLTHDBCNZ-ZETCQYMHSA-N 1 2 239.323 0.800 20 0 BCADLO COC(C)(C)C[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631130972 411861675 /nfs/dbraw/zinc/86/16/75/411861675.db2.gz OVIPRQLTHDBCNZ-ZETCQYMHSA-N 1 2 239.323 0.800 20 0 BCADLO CCOC(=O)NCC(=O)Nc1ccc(N)[nH+]c1 ZINC000496144373 411863722 /nfs/dbraw/zinc/86/37/22/411863722.db2.gz XEUZELLIMPMHPX-UHFFFAOYSA-N 1 2 238.247 0.348 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC(=O)N(C)CC2)s1 ZINC000661804531 411886120 /nfs/dbraw/zinc/88/61/20/411886120.db2.gz GFDJDUANERGUAS-UHFFFAOYSA-N 1 2 240.332 0.511 20 0 BCADLO Cc1nnc(C[N@H+]2CCC(=O)N(C)CC2)s1 ZINC000661804531 411886124 /nfs/dbraw/zinc/88/61/24/411886124.db2.gz GFDJDUANERGUAS-UHFFFAOYSA-N 1 2 240.332 0.511 20 0 BCADLO Cc1nc(C[N@@H+]2CCC(=O)N(C)CC2)co1 ZINC000661805230 411886640 /nfs/dbraw/zinc/88/66/40/411886640.db2.gz DYFUSMWQOFAMCM-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1nc(C[N@H+]2CCC(=O)N(C)CC2)co1 ZINC000661805230 411886645 /nfs/dbraw/zinc/88/66/45/411886645.db2.gz DYFUSMWQOFAMCM-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1nc(C[N@@H+]2CCC(=O)N(C)CC2)oc1C ZINC000661811242 411890567 /nfs/dbraw/zinc/89/05/67/411890567.db2.gz UDFPNPILJWIBOF-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO Cc1nc(C[N@H+]2CCC(=O)N(C)CC2)oc1C ZINC000661811242 411890574 /nfs/dbraw/zinc/89/05/74/411890574.db2.gz UDFPNPILJWIBOF-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO CCC(=O)N[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084476 411892642 /nfs/dbraw/zinc/89/26/42/411892642.db2.gz AXOQLGDYZNJGRC-ZETCQYMHSA-N 1 2 236.275 0.517 20 0 BCADLO Cc1noc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)n1 ZINC000661831479 411895325 /nfs/dbraw/zinc/89/53/25/411895325.db2.gz OVDDXTOPMKBVTJ-DTWKUNHWSA-N 1 2 223.276 0.771 20 0 BCADLO Cn1ncnc1C(=O)NCCCCn1cc[nH+]c1 ZINC000664245495 411896852 /nfs/dbraw/zinc/89/68/52/411896852.db2.gz DCOLAYMJDNJGEO-UHFFFAOYSA-N 1 2 248.290 0.222 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)no1 ZINC000661842200 411899161 /nfs/dbraw/zinc/89/91/61/411899161.db2.gz SQDXQBIGBKOLNL-RKDXNWHRSA-N 1 2 223.276 0.771 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncnn1C ZINC000664274880 411909001 /nfs/dbraw/zinc/90/90/01/411909001.db2.gz DPLPQNVCHVZZLM-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO COCc1n[nH]c(CNc2cccc[nH+]2)n1 ZINC000664279156 411910818 /nfs/dbraw/zinc/91/08/18/411910818.db2.gz YKLDPVZCEBEQOX-UHFFFAOYSA-N 1 2 219.248 0.958 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2ccon2)c[nH+]1 ZINC000552018912 411914409 /nfs/dbraw/zinc/91/44/09/411914409.db2.gz PKQMMOHMFVTQTK-UHFFFAOYSA-N 1 2 233.231 0.285 20 0 BCADLO C[C@H](NC(=O)NCc1ccc(N)[nH+]c1)C(F)F ZINC000641007993 411922226 /nfs/dbraw/zinc/92/22/26/411922226.db2.gz ZCUQJLXIIZWHIA-LURJTMIESA-N 1 2 244.245 1.117 20 0 BCADLO C[C@H](c1nccc(N)n1)[NH+]1CCSCC1 ZINC000572226670 411928065 /nfs/dbraw/zinc/92/80/65/411928065.db2.gz DKJHMYTYEZRCIZ-MRVPVSSYSA-N 1 2 224.333 1.169 20 0 BCADLO C[C@H]1CN(Cc2cc[nH+]c(N)c2)CC[S@]1=O ZINC000393749458 411929189 /nfs/dbraw/zinc/92/91/89/411929189.db2.gz QAXHJVTYPRFFHX-FVMDXXJSSA-N 1 2 239.344 0.617 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H](CO)O1 ZINC000330364665 411930440 /nfs/dbraw/zinc/93/04/40/411930440.db2.gz UHRQEUDBHZPARI-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H](CO)O1 ZINC000330364665 411930445 /nfs/dbraw/zinc/93/04/45/411930445.db2.gz UHRQEUDBHZPARI-GXSJLCMTSA-N 1 2 237.303 0.245 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1nncs1 ZINC000661975687 411930450 /nfs/dbraw/zinc/93/04/50/411930450.db2.gz YPYCZJPHJHSDAB-YUMQZZPRSA-N 1 2 238.316 0.818 20 0 BCADLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1nncs1 ZINC000661975687 411930453 /nfs/dbraw/zinc/93/04/53/411930453.db2.gz YPYCZJPHJHSDAB-YUMQZZPRSA-N 1 2 238.316 0.818 20 0 BCADLO Cc1nc(N(C)CC2=CCSC2)nc(N)[nH+]1 ZINC000631376675 411933733 /nfs/dbraw/zinc/93/37/33/411933733.db2.gz WBIOGUXHVGFGOQ-UHFFFAOYSA-N 1 2 237.332 0.872 20 0 BCADLO Cc1nc(N)nc(N(C)CC2=CCSC2)[nH+]1 ZINC000631376675 411933738 /nfs/dbraw/zinc/93/37/38/411933738.db2.gz WBIOGUXHVGFGOQ-UHFFFAOYSA-N 1 2 237.332 0.872 20 0 BCADLO Cc1nc(N(C)CC2(O)CCCC2)nc(N)[nH+]1 ZINC000631178153 411937274 /nfs/dbraw/zinc/93/72/74/411937274.db2.gz DVXZVYNQJHSTDS-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO Cc1nc(N)nc(N(C)CC2(O)CCCC2)[nH+]1 ZINC000631178153 411937278 /nfs/dbraw/zinc/93/72/78/411937278.db2.gz DVXZVYNQJHSTDS-UHFFFAOYSA-N 1 2 237.307 0.504 20 0 BCADLO Nc1cc(C[N@@H+]2CCn3nncc3C2)ccn1 ZINC000565174414 411939295 /nfs/dbraw/zinc/93/92/95/411939295.db2.gz VBRQXGAIPPSLBG-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Nc1cc(C[N@H+]2CCn3nncc3C2)ccn1 ZINC000565174414 411939298 /nfs/dbraw/zinc/93/92/98/411939298.db2.gz VBRQXGAIPPSLBG-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Cc1nc(NCC2(C(F)F)CC2)nc(N)[nH+]1 ZINC000631254696 411939420 /nfs/dbraw/zinc/93/94/20/411939420.db2.gz SHQOJOYPUPSPMJ-UHFFFAOYSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(N)nc(NCC2(C(F)F)CC2)[nH+]1 ZINC000631254696 411939423 /nfs/dbraw/zinc/93/94/23/411939423.db2.gz SHQOJOYPUPSPMJ-UHFFFAOYSA-N 1 2 229.234 0.641 20 0 BCADLO Cc1nc(NCCC2(CO)CCC2)nc(N)[nH+]1 ZINC000631340772 411940856 /nfs/dbraw/zinc/94/08/56/411940856.db2.gz LWSAAOPPGUJWMZ-UHFFFAOYSA-N 1 2 237.307 0.149 20 0 BCADLO Cc1nc(N)nc(NCCC2(CO)CCC2)[nH+]1 ZINC000631340772 411940860 /nfs/dbraw/zinc/94/08/60/411940860.db2.gz LWSAAOPPGUJWMZ-UHFFFAOYSA-N 1 2 237.307 0.149 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nc1 ZINC000647515446 411876739 /nfs/dbraw/zinc/87/67/39/411876739.db2.gz FRLAQFWEGRZEOD-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nc1 ZINC000647515446 411876751 /nfs/dbraw/zinc/87/67/51/411876751.db2.gz FRLAQFWEGRZEOD-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000661766608 411879187 /nfs/dbraw/zinc/87/91/87/411879187.db2.gz GSAPYXDRQAEQRC-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000661766608 411879190 /nfs/dbraw/zinc/87/91/90/411879190.db2.gz GSAPYXDRQAEQRC-VXNVDRBHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000661766607 411879510 /nfs/dbraw/zinc/87/95/10/411879510.db2.gz GSAPYXDRQAEQRC-IONNQARKSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000661766607 411879513 /nfs/dbraw/zinc/87/95/13/411879513.db2.gz GSAPYXDRQAEQRC-IONNQARKSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000661768489 411881630 /nfs/dbraw/zinc/88/16/30/411881630.db2.gz XCOSSSIDWSSUTM-WCBMZHEXSA-N 1 2 210.281 0.192 20 0 BCADLO C[C@H](O)[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000661768489 411881635 /nfs/dbraw/zinc/88/16/35/411881635.db2.gz XCOSSSIDWSSUTM-WCBMZHEXSA-N 1 2 210.281 0.192 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661773893 411884061 /nfs/dbraw/zinc/88/40/61/411884061.db2.gz KQJJJAUICBKIFL-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661773893 411884064 /nfs/dbraw/zinc/88/40/64/411884064.db2.gz KQJJJAUICBKIFL-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nc(N2CCC[C@@H]2C[C@H](C)O)nc(N)[nH+]1 ZINC000631179467 411964074 /nfs/dbraw/zinc/96/40/74/411964074.db2.gz SMZKJMCUCLGDBM-IONNQARKSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@@H]2C[C@H](C)O)[nH+]1 ZINC000631179467 411964079 /nfs/dbraw/zinc/96/40/79/411964079.db2.gz SMZKJMCUCLGDBM-IONNQARKSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N2CCOCC3(CC3)C2)nc(N)[nH+]1 ZINC000631203056 411964983 /nfs/dbraw/zinc/96/49/83/411964983.db2.gz IUXFAWDJQOTRJN-UHFFFAOYSA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N)nc(N2CCOCC3(CC3)C2)[nH+]1 ZINC000631203056 411964987 /nfs/dbraw/zinc/96/49/87/411964987.db2.gz IUXFAWDJQOTRJN-UHFFFAOYSA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631359652 411966463 /nfs/dbraw/zinc/96/64/63/411966463.db2.gz DKDLVPQOIYGYLM-QMSLJYSESA-N 1 2 237.307 0.215 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000631359652 411966466 /nfs/dbraw/zinc/96/64/66/411966466.db2.gz DKDLVPQOIYGYLM-QMSLJYSESA-N 1 2 237.307 0.215 20 0 BCADLO Cc1nc(N[C@H]2CO[C@@H](C)C2)nc(N)[nH+]1 ZINC000401429183 411966853 /nfs/dbraw/zinc/96/68/53/411966853.db2.gz FATWIGSVUMCDCB-CAHLUQPWSA-N 1 2 209.253 0.352 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC000401429183 411966857 /nfs/dbraw/zinc/96/68/57/411966857.db2.gz FATWIGSVUMCDCB-CAHLUQPWSA-N 1 2 209.253 0.352 20 0 BCADLO Nc1ccnc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)n1 ZINC000366454645 411967042 /nfs/dbraw/zinc/96/70/42/411967042.db2.gz DIVSVFXNGAIQSY-NXEZZACHSA-N 1 2 234.303 0.812 20 0 BCADLO Nc1ccnc(C[N@H+]2CCC[C@H]3OCC[C@H]32)n1 ZINC000366454645 411967047 /nfs/dbraw/zinc/96/70/47/411967047.db2.gz DIVSVFXNGAIQSY-NXEZZACHSA-N 1 2 234.303 0.812 20 0 BCADLO Cc1nc(N[C@H]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000383401520 411968447 /nfs/dbraw/zinc/96/84/47/411968447.db2.gz OTOGZIFCFODICN-QMMMGPOBSA-N 1 2 237.307 1.132 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CCOC(C)(C)C2)[nH+]1 ZINC000383401520 411968450 /nfs/dbraw/zinc/96/84/50/411968450.db2.gz OTOGZIFCFODICN-QMMMGPOBSA-N 1 2 237.307 1.132 20 0 BCADLO Cc1nc(N[C@H](CO)CCC(C)C)nc(N)[nH+]1 ZINC000631387915 411968463 /nfs/dbraw/zinc/96/84/63/411968463.db2.gz WIKZGNFIDSNLBE-VIFPVBQESA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CCC(C)C)[nH+]1 ZINC000631387915 411968466 /nfs/dbraw/zinc/96/84/66/411968466.db2.gz WIKZGNFIDSNLBE-VIFPVBQESA-N 1 2 239.323 0.971 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000662056533 411968487 /nfs/dbraw/zinc/96/84/87/411968487.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000662056533 411968489 /nfs/dbraw/zinc/96/84/89/411968489.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000662056533 411968491 /nfs/dbraw/zinc/96/84/91/411968491.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000662056533 411968492 /nfs/dbraw/zinc/96/84/92/411968492.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000662056533 411968493 /nfs/dbraw/zinc/96/84/93/411968493.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000662056533 411968495 /nfs/dbraw/zinc/96/84/95/411968495.db2.gz ZSSIBNPOUHJXBO-SNVBAGLBSA-N 1 2 249.318 0.249 20 0 BCADLO O=C1CC[C@@H](CNc2cc(NC3CC3)nc[nH+]2)N1 ZINC000664473409 411968657 /nfs/dbraw/zinc/96/86/57/411968657.db2.gz PTDKZHGHOPKRHJ-VIFPVBQESA-N 1 2 247.302 0.741 20 0 BCADLO O=C1CC[C@@H](CNc2cc(NC3CC3)[nH+]cn2)N1 ZINC000664473409 411968660 /nfs/dbraw/zinc/96/86/60/411968660.db2.gz PTDKZHGHOPKRHJ-VIFPVBQESA-N 1 2 247.302 0.741 20 0 BCADLO Cc1ccc(CCNc2nc(C)[nH+]c(N)n2)nc1 ZINC000631305035 411974609 /nfs/dbraw/zinc/97/46/09/411974609.db2.gz QDQAERVMMTUJIM-UHFFFAOYSA-N 1 2 244.302 0.542 20 0 BCADLO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1ccon1 ZINC000662076820 411979467 /nfs/dbraw/zinc/97/94/67/411979467.db2.gz VRHDUROVLWQZHO-UHFFFAOYSA-N 1 2 237.259 0.335 20 0 BCADLO O=C(C[N@H+]1CCC2(COC2)C1)Nc1ccon1 ZINC000662076820 411979469 /nfs/dbraw/zinc/97/94/69/411979469.db2.gz VRHDUROVLWQZHO-UHFFFAOYSA-N 1 2 237.259 0.335 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH+]ccn2C)c(N)n1 ZINC000533195658 411984256 /nfs/dbraw/zinc/98/42/56/411984256.db2.gz BMVKRTWPDIIFBI-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BCADLO Cc1nc(N)c(CNC(=O)C(C)(C)C)c[nH+]1 ZINC000381504063 411985211 /nfs/dbraw/zinc/98/52/11/411985211.db2.gz DNYWWPOZQGWRLF-UHFFFAOYSA-N 1 2 222.292 1.030 20 0 BCADLO Cc1nc(N)c(CNC(=O)C2CSC2)c[nH+]1 ZINC000633041524 411985807 /nfs/dbraw/zinc/98/58/07/411985807.db2.gz FQMGEWPVODIKJJ-UHFFFAOYSA-N 1 2 238.316 0.346 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@]2(C)C[C@@H]2F)c[nH+]1 ZINC000570282758 411986076 /nfs/dbraw/zinc/98/60/76/411986076.db2.gz ODDIEJJXYLCULV-KWQFWETISA-N 1 2 238.266 0.732 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2nccnc2C1 ZINC000662124141 411993980 /nfs/dbraw/zinc/99/39/80/411993980.db2.gz GAFAZZRQNOMGRM-JTQLQIEISA-N 1 2 220.276 0.099 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2nccnc2C1 ZINC000662124141 411993984 /nfs/dbraw/zinc/99/39/84/411993984.db2.gz GAFAZZRQNOMGRM-JTQLQIEISA-N 1 2 220.276 0.099 20 0 BCADLO c1c[nH+]c(CN2CCc3nccnc3C2)[nH]1 ZINC000662125104 411994028 /nfs/dbraw/zinc/99/40/28/411994028.db2.gz RDKMEWQPNQWDLX-UHFFFAOYSA-N 1 2 215.260 0.758 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@]1(C)OC ZINC000664602562 411995511 /nfs/dbraw/zinc/99/55/11/411995511.db2.gz MCPJCQHOKLJUGL-LDWIPMOCSA-N 1 2 224.264 0.657 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@]1(C)OC ZINC000664602562 411995513 /nfs/dbraw/zinc/99/55/13/411995513.db2.gz MCPJCQHOKLJUGL-LDWIPMOCSA-N 1 2 224.264 0.657 20 0 BCADLO Cn1cc(C(C)(C)[NH2+]Cc2nccc(N)n2)cn1 ZINC000572047867 411948401 /nfs/dbraw/zinc/94/84/01/411948401.db2.gz XJYKWIDMYOEXQQ-UHFFFAOYSA-N 1 2 246.318 0.817 20 0 BCADLO Cn1c[nH+]c(CSc2nnc(N)s2)c1 ZINC000641410680 411953086 /nfs/dbraw/zinc/95/30/86/411953086.db2.gz UWPLJWRRKHAWSB-UHFFFAOYSA-N 1 2 227.318 1.146 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662035700 411953168 /nfs/dbraw/zinc/95/31/68/411953168.db2.gz HBZZIVSBOUGCRC-UWVGGRQHSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662035700 411953173 /nfs/dbraw/zinc/95/31/73/411953173.db2.gz HBZZIVSBOUGCRC-UWVGGRQHSA-N 1 2 223.276 0.846 20 0 BCADLO Nc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000647537815 411954042 /nfs/dbraw/zinc/95/40/42/411954042.db2.gz NPIZFWKORYYOSO-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Nc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000647537815 411954046 /nfs/dbraw/zinc/95/40/46/411954046.db2.gz NPIZFWKORYYOSO-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Nc1ccc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000647537884 411954541 /nfs/dbraw/zinc/95/45/41/411954541.db2.gz SFSWBDYUCMFDGR-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BCADLO Nc1ccc(C[N@H+]2CCOCC23CC3)cn1 ZINC000647537884 411954545 /nfs/dbraw/zinc/95/45/45/411954545.db2.gz SFSWBDYUCMFDGR-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662038796 411954914 /nfs/dbraw/zinc/95/49/14/411954914.db2.gz XCJGPIPEQPEPLN-NXEZZACHSA-N 1 2 236.319 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662038796 411954917 /nfs/dbraw/zinc/95/49/17/411954917.db2.gz XCJGPIPEQPEPLN-NXEZZACHSA-N 1 2 236.319 0.835 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037983 411955254 /nfs/dbraw/zinc/95/52/54/411955254.db2.gz VEXGQMAICJQPLA-RKDXNWHRSA-N 1 2 208.265 0.273 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037983 411955256 /nfs/dbraw/zinc/95/52/56/411955256.db2.gz VEXGQMAICJQPLA-RKDXNWHRSA-N 1 2 208.265 0.273 20 0 BCADLO Cc1nc(N)nc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000349745910 411955374 /nfs/dbraw/zinc/95/53/74/411955374.db2.gz PEVOUDDPIRGIBZ-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1(C)COC1 ZINC000578786657 411956854 /nfs/dbraw/zinc/95/68/54/411956854.db2.gz QORVNMNWTQCJNY-UHFFFAOYSA-N 1 2 248.290 0.394 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC1CCC1 ZINC000574170951 411957243 /nfs/dbraw/zinc/95/72/43/411957243.db2.gz JWBUDDBNOJGXEC-UHFFFAOYSA-N 1 2 218.264 0.910 20 0 BCADLO Cc1nc(N2CCC3(CCC3)C2)nc(N)[nH+]1 ZINC000380357949 411960670 /nfs/dbraw/zinc/96/06/70/411960670.db2.gz YTWLPRLLRKNFKP-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BCADLO Cc1nc(N)nc(N2CCC3(CCC3)C2)[nH+]1 ZINC000380357949 411960674 /nfs/dbraw/zinc/96/06/74/411960674.db2.gz YTWLPRLLRKNFKP-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BCADLO Cc1nc(N2CCC(C)(CO)CC2)nc(N)[nH+]1 ZINC000402680102 411961159 /nfs/dbraw/zinc/96/11/59/411961159.db2.gz HEOFOFKCTSMSNA-UHFFFAOYSA-N 1 2 237.307 0.361 20 0 BCADLO Cc1nc(N)nc(N2CCC(C)(CO)CC2)[nH+]1 ZINC000402680102 411961164 /nfs/dbraw/zinc/96/11/64/411961164.db2.gz HEOFOFKCTSMSNA-UHFFFAOYSA-N 1 2 237.307 0.361 20 0 BCADLO Cn1nccc1CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000581997726 411961813 /nfs/dbraw/zinc/96/18/13/411961813.db2.gz TYBDKCBLGMNFSW-UHFFFAOYSA-N 1 2 245.286 0.969 20 0 BCADLO Cc1nc(N2CC[C@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000380688793 411962538 /nfs/dbraw/zinc/96/25/38/411962538.db2.gz AMOLIVRCJGZIJW-NKWVEPMBSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C)[C@H]2C)[nH+]1 ZINC000380688793 411962542 /nfs/dbraw/zinc/96/25/42/411962542.db2.gz AMOLIVRCJGZIJW-NKWVEPMBSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N2CCO[C@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000380307319 411962642 /nfs/dbraw/zinc/96/26/42/411962642.db2.gz QATOWBUPDTZKPQ-RNFRBKRXSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](C)[C@H]2C)[nH+]1 ZINC000380307319 411962646 /nfs/dbraw/zinc/96/26/46/411962646.db2.gz QATOWBUPDTZKPQ-RNFRBKRXSA-N 1 2 223.280 0.376 20 0 BCADLO Cc1nc(NC[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000664459463 411963370 /nfs/dbraw/zinc/96/33/70/411963370.db2.gz YVWMICVNJYVZKA-VIFPVBQESA-N 1 2 220.276 0.675 20 0 BCADLO CC1(C)C[N@H+](CC(N)=O)[C@@H]1c1ccncc1 ZINC000664830734 412029799 /nfs/dbraw/zinc/02/97/99/412029799.db2.gz BUJGDKVYKROLHE-LLVKDONJSA-N 1 2 219.288 0.950 20 0 BCADLO CC1(C)C[N@@H+](CC(N)=O)[C@@H]1c1ccncc1 ZINC000664830734 412029802 /nfs/dbraw/zinc/02/98/02/412029802.db2.gz BUJGDKVYKROLHE-LLVKDONJSA-N 1 2 219.288 0.950 20 0 BCADLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(N)=O)C2 ZINC000664873276 412036427 /nfs/dbraw/zinc/03/64/27/412036427.db2.gz YOUJAAQSWLAWEG-UHFFFAOYSA-N 1 2 236.319 0.290 20 0 BCADLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(N)=O)C2 ZINC000664873276 412036429 /nfs/dbraw/zinc/03/64/29/412036429.db2.gz YOUJAAQSWLAWEG-UHFFFAOYSA-N 1 2 236.319 0.290 20 0 BCADLO COC[C@H](C[N@H+](C)Cc1nnc(C)s1)OC ZINC000662254292 412049110 /nfs/dbraw/zinc/04/91/10/412049110.db2.gz GXOMCIIMDDZUDS-VIFPVBQESA-N 1 2 245.348 0.940 20 0 BCADLO COC[C@H](C[N@@H+](C)Cc1nnc(C)s1)OC ZINC000662254292 412049112 /nfs/dbraw/zinc/04/91/12/412049112.db2.gz GXOMCIIMDDZUDS-VIFPVBQESA-N 1 2 245.348 0.940 20 0 BCADLO CCOC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662259765 412053683 /nfs/dbraw/zinc/05/36/83/412053683.db2.gz AUQFUDRAUPWULR-VIFPVBQESA-N 1 2 245.348 0.676 20 0 BCADLO CCOC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662259765 412053686 /nfs/dbraw/zinc/05/36/86/412053686.db2.gz AUQFUDRAUPWULR-VIFPVBQESA-N 1 2 245.348 0.676 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000330922342 171030234 /nfs/dbraw/zinc/03/02/34/171030234.db2.gz BFSAYWVSIRXWTB-ZJUUUORDSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000330922342 171030237 /nfs/dbraw/zinc/03/02/37/171030237.db2.gz BFSAYWVSIRXWTB-ZJUUUORDSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000268270231 171030766 /nfs/dbraw/zinc/03/07/66/171030766.db2.gz HBAZKQAXIXOOLT-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO CC[C@@H]1C[N@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000376115868 171075938 /nfs/dbraw/zinc/07/59/38/171075938.db2.gz QAXRICFKARIHMB-PWSUYJOCSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000376115868 171075939 /nfs/dbraw/zinc/07/59/39/171075939.db2.gz QAXRICFKARIHMB-PWSUYJOCSA-N 1 2 242.319 0.132 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)OC)C[C@]2(CCOC2)O1 ZINC000369876842 171076272 /nfs/dbraw/zinc/07/62/72/171076272.db2.gz DEMMKFFMQCJETM-PWSUYJOCSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)OC)C[C@]2(CCOC2)O1 ZINC000369876842 171076278 /nfs/dbraw/zinc/07/62/78/171076278.db2.gz DEMMKFFMQCJETM-PWSUYJOCSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1O ZINC000306895958 171091077 /nfs/dbraw/zinc/09/10/77/171091077.db2.gz OIOOFEIWINXLEB-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1O ZINC000306895958 171091080 /nfs/dbraw/zinc/09/10/80/171091080.db2.gz OIOOFEIWINXLEB-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000277284021 171099266 /nfs/dbraw/zinc/09/92/66/171099266.db2.gz AUJOVMOTVHQAAO-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000277284021 171099270 /nfs/dbraw/zinc/09/92/70/171099270.db2.gz AUJOVMOTVHQAAO-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1O ZINC000277284018 171100015 /nfs/dbraw/zinc/10/00/15/171100015.db2.gz AUJOVMOTVHQAAO-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1O ZINC000277284018 171100017 /nfs/dbraw/zinc/10/00/17/171100017.db2.gz AUJOVMOTVHQAAO-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000336343725 171107705 /nfs/dbraw/zinc/10/77/05/171107705.db2.gz HOUBZKTYCQMCKY-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000336343725 171107709 /nfs/dbraw/zinc/10/77/09/171107709.db2.gz HOUBZKTYCQMCKY-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000288581731 171145361 /nfs/dbraw/zinc/14/53/61/171145361.db2.gz LBXLWDMASWHDHN-VIFPVBQESA-N 1 2 249.270 0.921 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279464659 171163797 /nfs/dbraw/zinc/16/37/97/171163797.db2.gz MJJLUNZWFUJWMI-LBPRGKRZSA-N 1 2 239.319 0.928 20 0 BCADLO CC[C@@](C)(CCO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279464659 171163800 /nfs/dbraw/zinc/16/38/00/171163800.db2.gz MJJLUNZWFUJWMI-LBPRGKRZSA-N 1 2 239.319 0.928 20 0 BCADLO CC[C@@](C)([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000336729980 171173775 /nfs/dbraw/zinc/17/37/75/171173775.db2.gz HYZNHJFPXGBSGU-LLVKDONJSA-N 1 2 230.308 0.396 20 0 BCADLO CC[C@@](C)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000336662126 171176000 /nfs/dbraw/zinc/17/60/00/171176000.db2.gz SPMLWRATIPJAEC-PSASIEDQSA-N 1 2 203.282 0.953 20 0 BCADLO CC[C@@](C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330941314 171180406 /nfs/dbraw/zinc/18/04/06/171180406.db2.gz CZJQFXKDLFVGMV-GFCCVEGCSA-N 1 2 239.319 0.965 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CCCS(C)(=O)=O ZINC000336675243 171205441 /nfs/dbraw/zinc/20/54/41/171205441.db2.gz MIIYNVGELLAOMT-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CCCS(C)(=O)=O ZINC000336675243 171205442 /nfs/dbraw/zinc/20/54/42/171205442.db2.gz MIIYNVGELLAOMT-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000332656061 171214326 /nfs/dbraw/zinc/21/43/26/171214326.db2.gz NNEYHRPHFASKLW-SNVBAGLBSA-N 1 2 210.281 0.460 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000332656061 171214329 /nfs/dbraw/zinc/21/43/29/171214329.db2.gz NNEYHRPHFASKLW-SNVBAGLBSA-N 1 2 210.281 0.460 20 0 BCADLO CC[C@H](C(=O)NCc1[nH]cc[nH+]1)C(=O)OC ZINC000277360669 171230782 /nfs/dbraw/zinc/23/07/82/171230782.db2.gz YINYFGJTCINBJV-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000665059154 412074350 /nfs/dbraw/zinc/07/43/50/412074350.db2.gz SEYAEINUHDSNFJ-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000359097451 171253156 /nfs/dbraw/zinc/25/31/56/171253156.db2.gz YMCFJCWSQTXZNP-RYUDHWBXSA-N 1 2 241.379 0.785 20 0 BCADLO COCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665059377 412075463 /nfs/dbraw/zinc/07/54/63/412075463.db2.gz HBTVHVCCXJBNCH-RKDXNWHRSA-N 1 2 223.276 0.286 20 0 BCADLO CC[C@H](C)C[NH2+][C@H](COC)C(=O)OC ZINC000308727243 171288260 /nfs/dbraw/zinc/28/82/60/171288260.db2.gz HEZQUKACSRDKKH-DTWKUNHWSA-N 1 2 203.282 0.810 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000340121846 171302700 /nfs/dbraw/zinc/30/27/00/171302700.db2.gz RIBGXOQCWNULBY-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000331274601 171323624 /nfs/dbraw/zinc/32/36/24/171323624.db2.gz BNUGSSIHZOLOAZ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000331274601 171323625 /nfs/dbraw/zinc/32/36/25/171323625.db2.gz BNUGSSIHZOLOAZ-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000249737698 171324406 /nfs/dbraw/zinc/32/44/06/171324406.db2.gz GLKNEZKXANUQJN-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000249737698 171324407 /nfs/dbraw/zinc/32/44/07/171324407.db2.gz GLKNEZKXANUQJN-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330774043 171324457 /nfs/dbraw/zinc/32/44/57/171324457.db2.gz GESCNQXVXJPZBK-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000339582651 171325890 /nfs/dbraw/zinc/32/58/90/171325890.db2.gz CACBEDUCAPDBEV-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000339582651 171325893 /nfs/dbraw/zinc/32/58/93/171325893.db2.gz CACBEDUCAPDBEV-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000336679560 171374624 /nfs/dbraw/zinc/37/46/24/171374624.db2.gz CRAGCCAZZJVQLO-LPEHRKFASA-N 1 2 249.376 0.888 20 0 BCADLO CC1(C)CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000665130558 412105665 /nfs/dbraw/zinc/10/56/65/412105665.db2.gz BDNINILRLXFLMK-LLVKDONJSA-N 1 2 240.347 0.871 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000665132295 412107254 /nfs/dbraw/zinc/10/72/54/412107254.db2.gz UWPLELMVJXACGV-GDNZZTSVSA-N 1 2 238.331 0.481 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1CC2(CC2)C1 ZINC000665131426 412107822 /nfs/dbraw/zinc/10/78/22/412107822.db2.gz LVCOQMRHBWZCHD-UHFFFAOYSA-N 1 2 238.331 0.625 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)CCCO1 ZINC000589604223 412133817 /nfs/dbraw/zinc/13/38/17/412133817.db2.gz SVXBZIRCXRTMFE-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)CCCO1 ZINC000589604223 412133822 /nfs/dbraw/zinc/13/38/22/412133822.db2.gz SVXBZIRCXRTMFE-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO Cn1c[nH+]cc1CNc1nccn(C2CC2)c1=O ZINC000388506778 412159959 /nfs/dbraw/zinc/15/99/59/412159959.db2.gz OZRPGWJNGGIKJR-UHFFFAOYSA-N 1 2 245.286 0.924 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccon1 ZINC000626472055 412256427 /nfs/dbraw/zinc/25/64/27/412256427.db2.gz AXVZEXMFZXHGIA-MRVPVSSYSA-N 1 2 240.263 0.127 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccon1 ZINC000626472055 412256431 /nfs/dbraw/zinc/25/64/31/412256431.db2.gz AXVZEXMFZXHGIA-MRVPVSSYSA-N 1 2 240.263 0.127 20 0 BCADLO CNC(=O)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000346724220 412262272 /nfs/dbraw/zinc/26/22/72/412262272.db2.gz KELYKZXAZKQGMP-UHFFFAOYSA-N 1 2 236.319 1.538 20 0 BCADLO C[C@H]1C[N@H+](CCNc2ccc(F)cn2)CCO1 ZINC000557572473 412266630 /nfs/dbraw/zinc/26/66/30/412266630.db2.gz SCCAWDOBZUBAHB-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2ccc(F)cn2)CCO1 ZINC000557572473 412266632 /nfs/dbraw/zinc/26/66/32/412266632.db2.gz SCCAWDOBZUBAHB-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BCADLO C[C@H]1C[C@H]1c1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000643183366 412270820 /nfs/dbraw/zinc/27/08/20/412270820.db2.gz YBXSZBWOGABUMX-DTWKUNHWSA-N 1 2 245.286 1.368 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccn(C)n1 ZINC000639613829 412233157 /nfs/dbraw/zinc/23/31/57/412233157.db2.gz GKNNZBRNVUKVSI-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CNc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000638251556 412311882 /nfs/dbraw/zinc/31/18/82/412311882.db2.gz WJBDUARYQWJLJU-UHFFFAOYSA-N 1 2 245.286 1.336 20 0 BCADLO Cc1cc(C)nc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000624619245 412317002 /nfs/dbraw/zinc/31/70/02/412317002.db2.gz YODAFMMOCZEWAO-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(C)nc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000624619245 412317005 /nfs/dbraw/zinc/31/70/05/412317005.db2.gz YODAFMMOCZEWAO-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO CC(C)c1cc(NC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000547863265 412320122 /nfs/dbraw/zinc/32/01/22/412320122.db2.gz KAWSBDHLQIHCCG-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BCADLO CC(C)c1nc(N[C@H](CO)[C@@H](C)O)cc[nH+]1 ZINC000413455049 412324128 /nfs/dbraw/zinc/32/41/28/412324128.db2.gz ROMWVAUFLMANJW-RKDXNWHRSA-N 1 2 225.292 0.754 20 0 BCADLO CC(C)n1c[nH+]cc1CNc1nc(N(C)C)n[nH]1 ZINC000571074270 412328732 /nfs/dbraw/zinc/32/87/32/412328732.db2.gz AXIMODDMYOEQTO-UHFFFAOYSA-N 1 2 249.322 1.260 20 0 BCADLO CC(C)n1c[nH+]cc1CNc1n[nH]c(N(C)C)n1 ZINC000571074270 412328734 /nfs/dbraw/zinc/32/87/34/412328734.db2.gz AXIMODDMYOEQTO-UHFFFAOYSA-N 1 2 249.322 1.260 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1nc(C)[nH+]cc1C ZINC000580783532 412333186 /nfs/dbraw/zinc/33/31/86/412333186.db2.gz JHIUEHDYJREOKJ-JTQLQIEISA-N 1 2 247.302 1.017 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665475568 412334429 /nfs/dbraw/zinc/33/44/29/412334429.db2.gz ZEHIAVOKHKDPGO-JZYVYDRUSA-N 1 2 235.287 0.271 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000665495279 412338004 /nfs/dbraw/zinc/33/80/04/412338004.db2.gz KKOWGQJPQLUARB-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO Cc1cc(NC(=O)CC[NH2+]Cc2ccn[nH]2)no1 ZINC000577621897 412342422 /nfs/dbraw/zinc/34/24/22/412342422.db2.gz KEAQOHXGKQMBAG-UHFFFAOYSA-N 1 2 249.274 0.825 20 0 BCADLO CCCCc1cc(NCc2nnn(C)n2)nc[nH+]1 ZINC000631252392 412346583 /nfs/dbraw/zinc/34/65/83/412346583.db2.gz VDDQTDXTHLSFTF-UHFFFAOYSA-N 1 2 247.306 0.955 20 0 BCADLO CCCN1C[C@H](CNc2cc(C)[nH+]cn2)CC1=O ZINC000420653814 412355661 /nfs/dbraw/zinc/35/56/61/412355661.db2.gz OZFAVCBQNUSLCN-NSHDSACASA-N 1 2 248.330 1.455 20 0 BCADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)nn1C ZINC000563216667 412358271 /nfs/dbraw/zinc/35/82/71/412358271.db2.gz IHKRBRVTVDYWNA-SNVBAGLBSA-N 1 2 247.302 1.515 20 0 BCADLO CNc1nc(N2CC[C@@H](O)C2)[nH+]c2ccccc21 ZINC000450311623 412304827 /nfs/dbraw/zinc/30/48/27/412304827.db2.gz DRKBAEADNRHUND-SECBINFHSA-N 1 2 244.298 1.243 20 0 BCADLO COCCOCCCNc1nc(C)[nH+]cc1C ZINC000583292948 412371044 /nfs/dbraw/zinc/37/10/44/412371044.db2.gz KUCVEBMKDJNIMW-UHFFFAOYSA-N 1 2 239.319 1.558 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)no1 ZINC000639440463 412372874 /nfs/dbraw/zinc/37/28/74/412372874.db2.gz WECSUMORGGTGCY-MRVPVSSYSA-N 1 2 247.258 0.926 20 0 BCADLO COCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000355626772 412374752 /nfs/dbraw/zinc/37/47/52/412374752.db2.gz JMMVQHKRYHZPCN-SNVBAGLBSA-N 1 2 249.314 1.475 20 0 BCADLO CCc1ncc(C[N@@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000332377603 172017810 /nfs/dbraw/zinc/01/78/10/172017810.db2.gz YCIITZNLBFTYHD-SNVBAGLBSA-N 1 2 248.330 0.749 20 0 BCADLO CCc1ncc(C[N@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000332377603 172017811 /nfs/dbraw/zinc/01/78/11/172017811.db2.gz YCIITZNLBFTYHD-SNVBAGLBSA-N 1 2 248.330 0.749 20 0 BCADLO CCc1nnc(CN(C)Cc2[nH+]ccn2C)n1C ZINC000330366897 172047869 /nfs/dbraw/zinc/04/78/69/172047869.db2.gz FRYIBMFCBUTAJF-UHFFFAOYSA-N 1 2 248.334 0.743 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)C(=O)OC)o1 ZINC000048335707 172049064 /nfs/dbraw/zinc/04/90/64/172049064.db2.gz ODSNQQIZTSHSMJ-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)C(=O)OC)o1 ZINC000048335707 172049065 /nfs/dbraw/zinc/04/90/65/172049065.db2.gz ODSNQQIZTSHSMJ-MRVPVSSYSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)C2)n1C ZINC000195010732 172050634 /nfs/dbraw/zinc/05/06/34/172050634.db2.gz MASAYJYSSOBSFY-VIFPVBQESA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](O)C2)n1C ZINC000195010732 172050636 /nfs/dbraw/zinc/05/06/36/172050636.db2.gz MASAYJYSSOBSFY-VIFPVBQESA-N 1 2 224.308 0.334 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000332680364 172050910 /nfs/dbraw/zinc/05/09/10/172050910.db2.gz JRDBCZUFULKVAG-BDAKNGLRSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000332680364 172050913 /nfs/dbraw/zinc/05/09/13/172050913.db2.gz JRDBCZUFULKVAG-BDAKNGLRSA-N 1 2 224.308 0.333 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)o1 ZINC000109329853 172054390 /nfs/dbraw/zinc/05/43/90/172054390.db2.gz VYTXBABFLIWHBJ-SECBINFHSA-N 1 2 240.307 0.622 20 0 BCADLO CCc1noc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000329197512 172089093 /nfs/dbraw/zinc/08/90/93/172089093.db2.gz VGRNXHLRGCEBOJ-IWSPIJDZSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1noc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000329197512 172089095 /nfs/dbraw/zinc/08/90/95/172089095.db2.gz VGRNXHLRGCEBOJ-IWSPIJDZSA-N 1 2 241.291 0.385 20 0 BCADLO CCc1ocnc1C(=O)NCc1[nH+]ccn1C ZINC000265833090 172122501 /nfs/dbraw/zinc/12/25/01/172122501.db2.gz TZEOLVZXAIITBT-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000328637080 172138375 /nfs/dbraw/zinc/13/83/75/172138375.db2.gz CRCRPIBMGXSBCO-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000328637080 172138379 /nfs/dbraw/zinc/13/83/79/172138379.db2.gz CRCRPIBMGXSBCO-UHFFFAOYSA-N 1 2 246.318 0.888 20 0 BCADLO CCn1c(C)nnc1CN1CCn2cc[nH+]c2C1 ZINC000331910884 172138769 /nfs/dbraw/zinc/13/87/69/172138769.db2.gz RUPDVCNGBCDZFH-UHFFFAOYSA-N 1 2 246.318 0.819 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000332740244 172140008 /nfs/dbraw/zinc/14/00/08/172140008.db2.gz YTJLFWVGSFQGLV-WCBMZHEXSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000332740244 172140010 /nfs/dbraw/zinc/14/00/10/172140010.db2.gz YTJLFWVGSFQGLV-WCBMZHEXSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(=O)[nH]nc1SCc1c[nH+]cn1C ZINC000267782690 172147072 /nfs/dbraw/zinc/14/70/72/172147072.db2.gz NTDFFZGONGLPDG-UHFFFAOYSA-N 1 2 239.304 0.617 20 0 BCADLO CCn1cc(CNC(=O)c2c[nH+]c(C)[nH]2)cn1 ZINC000265634178 172168564 /nfs/dbraw/zinc/16/85/64/172168564.db2.gz SMRJILBMDSPHSW-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc(NC(=O)NCc2[nH+]ccn2C)cn1 ZINC000264115856 172181500 /nfs/dbraw/zinc/18/15/00/172181500.db2.gz UREAMQNCKWXKLR-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO CCn1ccnc1C(=O)NCc1[nH]c[nH+]c1C ZINC000362857741 172215778 /nfs/dbraw/zinc/21/57/78/172215778.db2.gz XUGVJSZAJCNRCO-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CCn1cc[nH+]c1CN(C)Cc1nnnn1C ZINC000336707276 172217800 /nfs/dbraw/zinc/21/78/00/172217800.db2.gz OOISDENFEBFEJR-UHFFFAOYSA-N 1 2 235.295 0.059 20 0 BCADLO CCn1cc[nH+]c1CN1CC(O)(C2CC2)C1 ZINC000084377098 172219151 /nfs/dbraw/zinc/21/91/51/172219151.db2.gz JURQLWMFNHZGIM-UHFFFAOYSA-N 1 2 221.304 0.860 20 0 BCADLO CCn1cc[nH+]c1CN1CCS(=O)CC1 ZINC000353335039 172219665 /nfs/dbraw/zinc/21/96/65/172219665.db2.gz VMCARZDNIHIIFU-UHFFFAOYSA-N 1 2 227.333 0.467 20 0 BCADLO CCn1cc[nH+]c1CN1CCn2ncnc2C1 ZINC000329962782 172222828 /nfs/dbraw/zinc/22/28/28/172222828.db2.gz PLAMTCVHNPWWKB-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnc(C)cn1 ZINC000295867616 172222857 /nfs/dbraw/zinc/22/28/57/172222857.db2.gz XNKANWQLWKNRJU-UHFFFAOYSA-N 1 2 245.286 0.931 20 0 BCADLO CCn1cnnc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264710306 172234755 /nfs/dbraw/zinc/23/47/55/172234755.db2.gz DJOBKMMHNTVOIS-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO CCn1cnnc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000356183976 172238941 /nfs/dbraw/zinc/23/89/41/172238941.db2.gz HXJJSDIONGUJQB-UHFFFAOYSA-N 1 2 234.263 0.511 20 0 BCADLO CCn1nc(C)c(C(=O)NCCn2cc[nH+]c2)n1 ZINC000293406198 172243493 /nfs/dbraw/zinc/24/34/93/172243493.db2.gz HUYBVLXWFYRKEI-UHFFFAOYSA-N 1 2 248.290 0.233 20 0 BCADLO CCn1ncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000293352798 172253905 /nfs/dbraw/zinc/25/39/05/172253905.db2.gz DSTOBASKICROFJ-SECBINFHSA-N 1 2 248.290 0.313 20 0 BCADLO CCn1nccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000271182902 172263193 /nfs/dbraw/zinc/26/31/93/172263193.db2.gz IGOHIWHGDFJKEJ-LLVKDONJSA-N 1 2 236.319 0.566 20 0 BCADLO CCn1nccc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000271182902 172263196 /nfs/dbraw/zinc/26/31/96/172263196.db2.gz IGOHIWHGDFJKEJ-LLVKDONJSA-N 1 2 236.319 0.566 20 0 BCADLO CCn1nccc1C[N@H+](C)CC(=O)N(C)C ZINC000162490498 172263378 /nfs/dbraw/zinc/26/33/78/172263378.db2.gz PQCMAGPLFVBMCB-UHFFFAOYSA-N 1 2 224.308 0.423 20 0 BCADLO CCn1nccc1C[N@@H+](C)CC(=O)N(C)C ZINC000162490498 172263381 /nfs/dbraw/zinc/26/33/81/172263381.db2.gz PQCMAGPLFVBMCB-UHFFFAOYSA-N 1 2 224.308 0.423 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000355188810 172269537 /nfs/dbraw/zinc/26/95/37/172269537.db2.gz WJWSJAYOPUQJHI-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000355188810 172269538 /nfs/dbraw/zinc/26/95/38/172269538.db2.gz WJWSJAYOPUQJHI-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1ncnc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000332629637 172280954 /nfs/dbraw/zinc/28/09/54/172280954.db2.gz HYBJWKYHKILHCT-NXEZZACHSA-N 1 2 240.307 0.144 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)C1CC1 ZINC000336260097 172309455 /nfs/dbraw/zinc/30/94/55/172309455.db2.gz UWAOPFYSXFENAD-MRVPVSSYSA-N 1 2 200.257 0.651 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@@H](F)C1)C1CC1 ZINC000336260097 172309457 /nfs/dbraw/zinc/30/94/57/172309457.db2.gz UWAOPFYSXFENAD-MRVPVSSYSA-N 1 2 200.257 0.651 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@H](F)C1)C1CC1 ZINC000336260098 172310276 /nfs/dbraw/zinc/31/02/76/172310276.db2.gz UWAOPFYSXFENAD-QMMMGPOBSA-N 1 2 200.257 0.651 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@H](F)C1)C1CC1 ZINC000336260098 172310279 /nfs/dbraw/zinc/31/02/79/172310279.db2.gz UWAOPFYSXFENAD-QMMMGPOBSA-N 1 2 200.257 0.651 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000286515724 172316837 /nfs/dbraw/zinc/31/68/37/172316837.db2.gz XCCCLXVEACYLDO-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO CN(C(=O)NCCn1cc[nH+]c1)C1CC(O)C1 ZINC000352321799 172320823 /nfs/dbraw/zinc/32/08/23/172320823.db2.gz BYWREJIKXJAXIF-UHFFFAOYSA-N 1 2 238.291 0.048 20 0 BCADLO CN(C(=O)[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000083871927 172334854 /nfs/dbraw/zinc/33/48/54/172334854.db2.gz AZMPWISTWMQJJG-LLVKDONJSA-N 1 2 220.272 0.638 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771150 172365978 /nfs/dbraw/zinc/36/59/78/172365978.db2.gz HHVSSCUGMXIYNE-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771150 172365980 /nfs/dbraw/zinc/36/59/80/172365980.db2.gz HHVSSCUGMXIYNE-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CN(C)C(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000263649168 172371947 /nfs/dbraw/zinc/37/19/47/172371947.db2.gz BHFSCGRGBLAUPG-CYBMUJFWSA-N 1 2 249.314 0.065 20 0 BCADLO CN(C)C(=O)Cn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000340474782 172375282 /nfs/dbraw/zinc/37/52/82/172375282.db2.gz XNXMDOJVMZFUBT-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BCADLO CN(C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336601878 172379013 /nfs/dbraw/zinc/37/90/13/172379013.db2.gz WMDCCNMPSVETEK-VIFPVBQESA-N 1 2 222.292 0.891 20 0 BCADLO CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000154582123 172380986 /nfs/dbraw/zinc/38/09/86/172380986.db2.gz FISALVATRADSNS-SNVBAGLBSA-N 1 2 234.303 0.932 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000296711412 172382387 /nfs/dbraw/zinc/38/23/87/172382387.db2.gz NAYHWXITUBCLLF-SNVBAGLBSA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000296711412 172382389 /nfs/dbraw/zinc/38/23/89/172382389.db2.gz NAYHWXITUBCLLF-SNVBAGLBSA-N 1 2 239.275 0.947 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnns1 ZINC000290132006 172385272 /nfs/dbraw/zinc/38/52/72/172385272.db2.gz VDFICXULHBEASX-VIFPVBQESA-N 1 2 240.332 0.591 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnns1 ZINC000290132006 172385274 /nfs/dbraw/zinc/38/52/74/172385274.db2.gz VDFICXULHBEASX-VIFPVBQESA-N 1 2 240.332 0.591 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nccc(N)n1 ZINC000268685892 172385576 /nfs/dbraw/zinc/38/55/76/172385576.db2.gz QOXNWGRLBZDKPT-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nccc(N)n1 ZINC000268685892 172385578 /nfs/dbraw/zinc/38/55/78/172385578.db2.gz QOXNWGRLBZDKPT-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BCADLO CN(Cc1cc[nH]n1)Cc1[nH+]ccn1C ZINC000114461060 172845150 /nfs/dbraw/zinc/84/51/50/172845150.db2.gz LLCJRPJVOMKAHA-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO CN1CCCN(c2cccc[nH+]2)CC1=O ZINC000302728888 173018674 /nfs/dbraw/zinc/01/86/74/173018674.db2.gz UKPOGTJFAJVGDK-UHFFFAOYSA-N 1 2 205.261 0.750 20 0 BCADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268934256 173025974 /nfs/dbraw/zinc/02/59/74/173025974.db2.gz FUQNQGAORNGIJH-WDEREUQCSA-N 1 2 248.330 0.998 20 0 BCADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268934256 173025975 /nfs/dbraw/zinc/02/59/75/173025975.db2.gz FUQNQGAORNGIJH-WDEREUQCSA-N 1 2 248.330 0.998 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000276504659 173051908 /nfs/dbraw/zinc/05/19/08/173051908.db2.gz IDLFJLONASQTSH-LURJTMIESA-N 1 2 212.278 0.571 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000276504659 173051912 /nfs/dbraw/zinc/05/19/12/173051912.db2.gz IDLFJLONASQTSH-LURJTMIESA-N 1 2 212.278 0.571 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@H]32)CC1 ZINC000368133198 173072071 /nfs/dbraw/zinc/07/20/71/173072071.db2.gz TXJOVRDTGBFTMN-QJPTWQEYSA-N 1 2 238.331 0.576 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000012974518 173072744 /nfs/dbraw/zinc/07/27/44/173072744.db2.gz UOATWZMCGOZUKN-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO C[NH+]1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000277099645 173073375 /nfs/dbraw/zinc/07/33/75/173073375.db2.gz LIFXMJQBWUEXOO-UHFFFAOYSA-N 1 2 241.241 0.747 20 0 BCADLO C[NH+]1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000135073114 173073486 /nfs/dbraw/zinc/07/34/86/173073486.db2.gz KWPDFUHWIPCWOC-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2CCC2)C1 ZINC000361796724 173077217 /nfs/dbraw/zinc/07/72/17/173077217.db2.gz MUPJIQKGNNXOBZ-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2CCC2)C1 ZINC000361796724 173077219 /nfs/dbraw/zinc/07/72/19/173077219.db2.gz MUPJIQKGNNXOBZ-GFCCVEGCSA-N 1 2 239.363 0.539 20 0 BCADLO CN1CC[N@H+](C[C@H]2Cc3ccccc3O2)CC1=O ZINC000372018230 173086055 /nfs/dbraw/zinc/08/60/55/173086055.db2.gz UWPPKAQOZJPXCM-GFCCVEGCSA-N 1 2 246.310 0.764 20 0 BCADLO CN1CC[N@@H+](C[C@H]2Cc3ccccc3O2)CC1=O ZINC000372018230 173086058 /nfs/dbraw/zinc/08/60/58/173086058.db2.gz UWPPKAQOZJPXCM-GFCCVEGCSA-N 1 2 246.310 0.764 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C2CC2)C1 ZINC000336372266 173099732 /nfs/dbraw/zinc/09/97/32/173099732.db2.gz AYIWHWHJCZRGHJ-SNVBAGLBSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C2CC2)C1 ZINC000336372266 173099735 /nfs/dbraw/zinc/09/97/35/173099735.db2.gz AYIWHWHJCZRGHJ-SNVBAGLBSA-N 1 2 226.320 0.622 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000135055767 173100335 /nfs/dbraw/zinc/10/03/35/173100335.db2.gz RSSLEBZGUILPMA-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000135055767 173100337 /nfs/dbraw/zinc/10/03/37/173100337.db2.gz RSSLEBZGUILPMA-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC3CCC2CC3)C1 ZINC000371445989 173100374 /nfs/dbraw/zinc/10/03/74/173100374.db2.gz AOZYDBMPDBZELF-HTAVTVPLSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)N2CC3CCC2CC3)C1 ZINC000371445989 173100375 /nfs/dbraw/zinc/10/03/75/173100375.db2.gz AOZYDBMPDBZELF-HTAVTVPLSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000284812321 173101550 /nfs/dbraw/zinc/10/15/50/173101550.db2.gz XDKGQATVVGAWRW-VXGBXAGGSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000284812321 173101552 /nfs/dbraw/zinc/10/15/52/173101552.db2.gz XDKGQATVVGAWRW-VXGBXAGGSA-N 1 2 249.314 0.560 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC000336376800 173101965 /nfs/dbraw/zinc/10/19/65/173101965.db2.gz VJFLSOTXGXCLMU-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC000336376800 173101967 /nfs/dbraw/zinc/10/19/67/173101967.db2.gz VJFLSOTXGXCLMU-NWDGAFQWSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccoc2)C1 ZINC000121743834 173102576 /nfs/dbraw/zinc/10/25/76/173102576.db2.gz NQPNJRVVQJVKHK-NSHDSACASA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccoc2)C1 ZINC000121743834 173102578 /nfs/dbraw/zinc/10/25/78/173102578.db2.gz NQPNJRVVQJVKHK-NSHDSACASA-N 1 2 238.287 0.269 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000292979288 173102973 /nfs/dbraw/zinc/10/29/73/173102973.db2.gz LCURGJNONVRTES-VIFPVBQESA-N 1 2 241.266 0.214 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000292979288 173102974 /nfs/dbraw/zinc/10/29/74/173102974.db2.gz LCURGJNONVRTES-VIFPVBQESA-N 1 2 241.266 0.214 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccccn2)C1 ZINC000173789553 173106517 /nfs/dbraw/zinc/10/65/17/173106517.db2.gz FFOSOWLTQAADAE-VIFPVBQESA-N 1 2 221.260 0.351 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccccn2)C1 ZINC000173789553 173106518 /nfs/dbraw/zinc/10/65/18/173106518.db2.gz FFOSOWLTQAADAE-VIFPVBQESA-N 1 2 221.260 0.351 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccoc2)C1 ZINC000121743634 173106628 /nfs/dbraw/zinc/10/66/28/173106628.db2.gz NQPNJRVVQJVKHK-LLVKDONJSA-N 1 2 238.287 0.269 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccoc2)C1 ZINC000121743634 173106630 /nfs/dbraw/zinc/10/66/30/173106630.db2.gz NQPNJRVVQJVKHK-LLVKDONJSA-N 1 2 238.287 0.269 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC23CCC(CC2)C3)C1 ZINC000371761106 173107084 /nfs/dbraw/zinc/10/70/84/173107084.db2.gz TWPOKPHKSJYDAR-AKJDGMEZSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC23CCC(CC2)C3)C1 ZINC000371761106 173107087 /nfs/dbraw/zinc/10/70/87/173107087.db2.gz TWPOKPHKSJYDAR-AKJDGMEZSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2O)C1 ZINC000081932552 173108332 /nfs/dbraw/zinc/10/83/32/173108332.db2.gz LVNWMXJPLNPDPQ-NSHDSACASA-N 1 2 236.271 0.661 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2O)C1 ZINC000081932552 173108334 /nfs/dbraw/zinc/10/83/34/173108334.db2.gz LVNWMXJPLNPDPQ-NSHDSACASA-N 1 2 236.271 0.661 20 0 BCADLO CN1CC[C@@H]([NH+]2CCN(CC(F)F)CC2)C1=O ZINC000116274526 173118919 /nfs/dbraw/zinc/11/89/19/173118919.db2.gz UTJRZMAXCWEFCK-SECBINFHSA-N 1 2 247.289 0.100 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccnn2C)C1=O ZINC000271201662 173119826 /nfs/dbraw/zinc/11/98/26/173119826.db2.gz PVKLAYBTMGRRTM-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccnn2C)C1=O ZINC000271201662 173119829 /nfs/dbraw/zinc/11/98/29/173119829.db2.gz PVKLAYBTMGRRTM-SNVBAGLBSA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2cncc(F)c2)C1=O ZINC000275128233 173120402 /nfs/dbraw/zinc/12/04/02/173120402.db2.gz LCXGINGUFFLRMD-LLVKDONJSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2cncc(F)c2)C1=O ZINC000275128233 173120405 /nfs/dbraw/zinc/12/04/05/173120405.db2.gz LCXGINGUFFLRMD-LLVKDONJSA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccccc2)C1=O ZINC000172624363 173124727 /nfs/dbraw/zinc/12/47/27/173124727.db2.gz SKVLCNVIVCFLAC-GHMZBOCLSA-N 1 2 247.298 0.033 20 0 BCADLO CN(Cc1c[nH+]cn1C)[C@H]1CCN(C)C1=O ZINC000336700271 173148788 /nfs/dbraw/zinc/14/87/88/173148788.db2.gz KOJWBOSDTXRKSC-JTQLQIEISA-N 1 2 222.292 0.083 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000116270105 173149542 /nfs/dbraw/zinc/14/95/42/173149542.db2.gz IJSAGRYQVRNMEN-JTQLQIEISA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000116270105 173149544 /nfs/dbraw/zinc/14/95/44/173149544.db2.gz IJSAGRYQVRNMEN-JTQLQIEISA-N 1 2 208.261 0.942 20 0 BCADLO CN1CC[C@H]([NH+]2CCN(CC(F)F)CC2)C1=O ZINC000116274524 173150784 /nfs/dbraw/zinc/15/07/84/173150784.db2.gz UTJRZMAXCWEFCK-VIFPVBQESA-N 1 2 247.289 0.100 20 0 BCADLO CN1CN(CCCn2cc[nH+]c2)CC1=O ZINC000360493195 173180335 /nfs/dbraw/zinc/18/03/35/173180335.db2.gz WFHYMVDJLLLTBT-UHFFFAOYSA-N 1 2 208.265 0.005 20 0 BCADLO CN1CN(Cc2cccc3[nH+]ccn32)CC1=O ZINC000336328820 173180355 /nfs/dbraw/zinc/18/03/55/173180355.db2.gz HXJKSWPWAYOZCQ-UHFFFAOYSA-N 1 2 230.271 0.566 20 0 BCADLO CN1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000283984234 173183328 /nfs/dbraw/zinc/18/33/28/173183328.db2.gz MUHYRVNTCWLLEQ-YWNRKNDBSA-N 1 2 248.286 0.160 20 0 BCADLO CN1C[C@@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000373241915 173188649 /nfs/dbraw/zinc/18/86/49/173188649.db2.gz GORNGMQBLANJKE-SECBINFHSA-N 1 2 236.275 0.226 20 0 BCADLO CN1C[C@@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000373241915 173188651 /nfs/dbraw/zinc/18/86/51/173188651.db2.gz GORNGMQBLANJKE-SECBINFHSA-N 1 2 236.275 0.226 20 0 BCADLO CN1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCC1=O ZINC000283984230 173192600 /nfs/dbraw/zinc/19/26/00/173192600.db2.gz MUHYRVNTCWLLEQ-XCRNYIDWSA-N 1 2 248.286 0.160 20 0 BCADLO CN1C[C@H]2C[N@H+](Cc3ccco3)CCN2C1=O ZINC000369692546 173197433 /nfs/dbraw/zinc/19/74/33/173197433.db2.gz JOLZCUPIQKIJAO-JTQLQIEISA-N 1 2 235.287 0.831 20 0 BCADLO CN1C[C@H]2C[N@@H+](Cc3ccco3)CCN2C1=O ZINC000369692546 173197435 /nfs/dbraw/zinc/19/74/35/173197435.db2.gz JOLZCUPIQKIJAO-JTQLQIEISA-N 1 2 235.287 0.831 20 0 BCADLO CNC(=O)C1CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000185554791 173224623 /nfs/dbraw/zinc/22/46/23/173224623.db2.gz OVBOSOBIJYUQEW-UHFFFAOYSA-N 1 2 248.286 0.600 20 0 BCADLO CNC(=O)C1C[NH+](Cc2ccc(F)nc2C)C1 ZINC000297391834 173227462 /nfs/dbraw/zinc/22/74/62/173227462.db2.gz KMWHQDRUXITRDV-UHFFFAOYSA-N 1 2 237.278 0.707 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000170792529 173249667 /nfs/dbraw/zinc/24/96/67/173249667.db2.gz RROJHBHROPBLLK-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000170792529 173249668 /nfs/dbraw/zinc/24/96/68/173249668.db2.gz RROJHBHROPBLLK-UHFFFAOYSA-N 1 2 244.726 0.641 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000289356380 173249864 /nfs/dbraw/zinc/24/98/64/173249864.db2.gz NPUNAMDZVRNZFV-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000289356380 173249867 /nfs/dbraw/zinc/24/98/67/173249867.db2.gz NPUNAMDZVRNZFV-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CNC(=O)CCN(C)c1cc[nH+]c(C)n1 ZINC000266398810 173252561 /nfs/dbraw/zinc/25/25/61/173252561.db2.gz PBLGYMYKDYEKJL-UHFFFAOYSA-N 1 2 208.265 0.357 20 0 BCADLO CNC(=O)CCNC(=O)Nc1cc[nH+]cc1C ZINC000271179676 173257214 /nfs/dbraw/zinc/25/72/14/173257214.db2.gz ZPHHTMZCOYYPFP-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO CNC(=O)C[N@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000331169275 173270553 /nfs/dbraw/zinc/27/05/53/173270553.db2.gz OFNNEISTYNAHGR-SECBINFHSA-N 1 2 222.292 0.524 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000331169275 173270555 /nfs/dbraw/zinc/27/05/55/173270555.db2.gz OFNNEISTYNAHGR-SECBINFHSA-N 1 2 222.292 0.524 20 0 BCADLO CNC(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285453187 173274911 /nfs/dbraw/zinc/27/49/11/173274911.db2.gz GKOFRSUJPSLKGK-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO CNC(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285453187 173274912 /nfs/dbraw/zinc/27/49/12/173274912.db2.gz GKOFRSUJPSLKGK-UHFFFAOYSA-N 1 2 234.299 0.935 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366582508 173275534 /nfs/dbraw/zinc/27/55/34/173275534.db2.gz BRKMQKNOPYMCTC-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366582508 173275535 /nfs/dbraw/zinc/27/55/35/173275535.db2.gz BRKMQKNOPYMCTC-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CNC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000309403744 173278375 /nfs/dbraw/zinc/27/83/75/173278375.db2.gz ALDHVZMLLOIZQN-SECBINFHSA-N 1 2 226.276 0.611 20 0 BCADLO CNC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC000337309757 173285258 /nfs/dbraw/zinc/28/52/58/173285258.db2.gz ZLRPPXJNJHYWTR-UHFFFAOYSA-N 1 2 243.351 0.616 20 0 BCADLO CNC(=O)NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106871713 173286720 /nfs/dbraw/zinc/28/67/20/173286720.db2.gz MFPBQUJNUATLIP-UHFFFAOYSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106871713 173286721 /nfs/dbraw/zinc/28/67/21/173286721.db2.gz MFPBQUJNUATLIP-UHFFFAOYSA-N 1 2 249.261 0.562 20 0 BCADLO CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046884243 173291307 /nfs/dbraw/zinc/29/13/07/173291307.db2.gz RGAHAKIETMDXFP-UHFFFAOYSA-N 1 2 208.265 0.577 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000330665243 173294057 /nfs/dbraw/zinc/29/40/57/173294057.db2.gz WMHLHNOIERGGRV-ZETCQYMHSA-N 1 2 242.348 0.660 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000330665243 173294058 /nfs/dbraw/zinc/29/40/58/173294058.db2.gz WMHLHNOIERGGRV-ZETCQYMHSA-N 1 2 242.348 0.660 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000040445458 173295209 /nfs/dbraw/zinc/29/52/09/173295209.db2.gz ZXMBEVHTLFNEJL-ZCFIWIBFSA-N 1 2 213.306 0.676 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000308927565 173295660 /nfs/dbraw/zinc/29/56/60/173295660.db2.gz IPTQWUZBGIJDCX-HTQZYQBOSA-N 1 2 211.265 0.768 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000179339631 173298014 /nfs/dbraw/zinc/29/80/14/173298014.db2.gz FIJZVLRUHVVFQR-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000179339631 173298015 /nfs/dbraw/zinc/29/80/15/173298015.db2.gz FIJZVLRUHVVFQR-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000275154063 173298691 /nfs/dbraw/zinc/29/86/91/173298691.db2.gz UJQHMPRSPBDEJV-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000275154063 173298692 /nfs/dbraw/zinc/29/86/92/173298692.db2.gz UJQHMPRSPBDEJV-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(OC)c1 ZINC000290536960 173299031 /nfs/dbraw/zinc/29/90/31/173299031.db2.gz ZRAGOWGSLSIPTA-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(OC)c1 ZINC000290536960 173299032 /nfs/dbraw/zinc/29/90/32/173299032.db2.gz ZRAGOWGSLSIPTA-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000331183290 173299434 /nfs/dbraw/zinc/29/94/34/173299434.db2.gz MIVHTCKOZFRVHS-BDAKNGLRSA-N 1 2 238.291 0.382 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000121372660 173300273 /nfs/dbraw/zinc/30/02/73/173300273.db2.gz LDWACFGPUHDERC-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000121372660 173300274 /nfs/dbraw/zinc/30/02/74/173300274.db2.gz LDWACFGPUHDERC-PWSUYJOCSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1cccc[nH+]1 ZINC000301490253 173301509 /nfs/dbraw/zinc/30/15/09/173301509.db2.gz MCZBJBAOLWSHHJ-SECBINFHSA-N 1 2 207.277 0.900 20 0 BCADLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000308927568 173303171 /nfs/dbraw/zinc/30/31/71/173303171.db2.gz IPTQWUZBGIJDCX-YUMQZZPRSA-N 1 2 211.265 0.768 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038091568 173303249 /nfs/dbraw/zinc/30/32/49/173303249.db2.gz UGFXDYGJNHVVPO-ZETCQYMHSA-N 1 2 213.306 0.676 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000272902365 173308239 /nfs/dbraw/zinc/30/82/39/173308239.db2.gz PVPHZYLAMSCJQX-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000272902365 173308240 /nfs/dbraw/zinc/30/82/40/173308240.db2.gz PVPHZYLAMSCJQX-ZYHUDNBSSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)c1cccnc1NCc1[nH+]ccn1C ZINC000359485385 173313273 /nfs/dbraw/zinc/31/32/73/173313273.db2.gz ZGAVTLFHWAYWJV-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO C[NH2+]CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000262295504 173341986 /nfs/dbraw/zinc/34/19/86/173341986.db2.gz ZDRMUMNCUXUJJT-UHFFFAOYSA-N 1 2 219.248 0.506 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354335445 173664920 /nfs/dbraw/zinc/66/49/20/173664920.db2.gz RVKLVSHPOASCBL-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000336887704 173691641 /nfs/dbraw/zinc/69/16/41/173691641.db2.gz DKKXSNOOCBVANR-HTQZYQBOSA-N 1 2 201.266 0.705 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000340613544 173786856 /nfs/dbraw/zinc/78/68/56/173786856.db2.gz DFLROZZFLCHMPM-JVUFJMBOSA-N 1 2 240.303 0.195 20 0 BCADLO COC1C[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000336709485 174035006 /nfs/dbraw/zinc/03/50/06/174035006.db2.gz JXGXUBOZCVKYJL-JTQLQIEISA-N 1 2 241.287 0.488 20 0 BCADLO COC1C[NH+](C[C@@H](O)COC(C)C)C1 ZINC000308412497 174035504 /nfs/dbraw/zinc/03/55/04/174035504.db2.gz HYGGLLOUUBQFAA-SECBINFHSA-N 1 2 203.282 0.103 20 0 BCADLO COCC(=O)NCCCNc1cccc[nH+]1 ZINC000115161567 174048694 /nfs/dbraw/zinc/04/86/94/174048694.db2.gz AYIWYIZBQSFTLK-UHFFFAOYSA-N 1 2 223.276 0.646 20 0 BCADLO COCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265747788 174050354 /nfs/dbraw/zinc/05/03/54/174050354.db2.gz IIWOMUGVGUWGDV-VIFPVBQESA-N 1 2 211.265 0.282 20 0 BCADLO COCC(=O)Nc1cccc2[nH+]ccn21 ZINC000336026413 174059389 /nfs/dbraw/zinc/05/93/89/174059389.db2.gz LXJZQTUXTCPUBV-UHFFFAOYSA-N 1 2 205.217 0.919 20 0 BCADLO COCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000041565249 174061213 /nfs/dbraw/zinc/06/12/13/174061213.db2.gz NMFGOFSFEZGZRE-UHFFFAOYSA-N 1 2 241.316 0.716 20 0 BCADLO COCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000041565249 174061216 /nfs/dbraw/zinc/06/12/16/174061216.db2.gz NMFGOFSFEZGZRE-UHFFFAOYSA-N 1 2 241.316 0.716 20 0 BCADLO COCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000330447957 174067266 /nfs/dbraw/zinc/06/72/66/174067266.db2.gz IFSPBTKIQKVSFI-UHFFFAOYSA-N 1 2 211.265 0.699 20 0 BCADLO COCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000330447957 174067268 /nfs/dbraw/zinc/06/72/68/174067268.db2.gz IFSPBTKIQKVSFI-UHFFFAOYSA-N 1 2 211.265 0.699 20 0 BCADLO COCC(C)(C)C[NH2+][C@@H](C)C(=O)OC ZINC000336667298 174074511 /nfs/dbraw/zinc/07/45/11/174074511.db2.gz WENQVJMBFIQFTI-QMMMGPOBSA-N 1 2 203.282 0.810 20 0 BCADLO COCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000331702159 174086519 /nfs/dbraw/zinc/08/65/19/174086519.db2.gz WRSBEEJPVZOBOH-UHFFFAOYSA-N 1 2 223.276 0.495 20 0 BCADLO COCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000331806956 174088396 /nfs/dbraw/zinc/08/83/96/174088396.db2.gz ANRYZKIUABHUAS-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO COCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371046731 174126384 /nfs/dbraw/zinc/12/63/84/174126384.db2.gz ZIJRWAPLVHLQCE-JTQLQIEISA-N 1 2 237.303 0.773 20 0 BCADLO COCCCC[N@H+](CCO)CC(F)F ZINC000194860728 174190347 /nfs/dbraw/zinc/19/03/47/174190347.db2.gz YQHBXKIMSQDQJV-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO COCCCC[N@@H+](CCO)CC(F)F ZINC000194860728 174190349 /nfs/dbraw/zinc/19/03/49/174190349.db2.gz YQHBXKIMSQDQJV-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO COCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000346151970 174195309 /nfs/dbraw/zinc/19/53/09/174195309.db2.gz OPIDKGKAYGOYNZ-UHFFFAOYSA-N 1 2 225.292 0.803 20 0 BCADLO COCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000346151970 174195311 /nfs/dbraw/zinc/19/53/11/174195311.db2.gz OPIDKGKAYGOYNZ-UHFFFAOYSA-N 1 2 225.292 0.803 20 0 BCADLO COCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276513221 174195793 /nfs/dbraw/zinc/19/57/93/174195793.db2.gz BNQTTYDTANRYHE-SNAWJCMRSA-N 1 2 223.276 0.966 20 0 BCADLO COCCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339694867 174212427 /nfs/dbraw/zinc/21/24/27/174212427.db2.gz RAYJQOFPKAUMHK-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COCCC[N@H+](CCOC)Cc1nc(C)no1 ZINC000054365500 174226868 /nfs/dbraw/zinc/22/68/68/174226868.db2.gz UKNRAOJOKIXDTK-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCC[N@@H+](CCOC)Cc1nc(C)no1 ZINC000054365500 174226870 /nfs/dbraw/zinc/22/68/70/174226870.db2.gz UKNRAOJOKIXDTK-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO COCCCNC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048418327 174238403 /nfs/dbraw/zinc/23/84/03/174238403.db2.gz GBLDBTHOTWMOMK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000220367051 174238707 /nfs/dbraw/zinc/23/87/07/174238707.db2.gz TXALYHKYBVKNGT-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000220367051 174238710 /nfs/dbraw/zinc/23/87/10/174238710.db2.gz TXALYHKYBVKNGT-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372560474 174244697 /nfs/dbraw/zinc/24/46/97/174244697.db2.gz VQMCDDIORCBMFN-JTQLQIEISA-N 1 2 237.303 0.598 20 0 BCADLO COCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294579774 174252357 /nfs/dbraw/zinc/25/23/57/174252357.db2.gz YLZWXSYAGJZIIN-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO COCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294579774 174252358 /nfs/dbraw/zinc/25/23/58/174252358.db2.gz YLZWXSYAGJZIIN-SECBINFHSA-N 1 2 240.307 0.718 20 0 BCADLO COCCCOCC[N@H+](C)Cc1cnc[nH]1 ZINC000181522625 174254362 /nfs/dbraw/zinc/25/43/62/174254362.db2.gz VFTNRKNOGDFQFZ-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1cnc[nH]1 ZINC000181522625 174254363 /nfs/dbraw/zinc/25/43/63/174254363.db2.gz VFTNRKNOGDFQFZ-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCCOCC[N@H+](C)Cc1c[nH]cn1 ZINC000181522625 174254364 /nfs/dbraw/zinc/25/43/64/174254364.db2.gz VFTNRKNOGDFQFZ-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1c[nH]cn1 ZINC000181522625 174254365 /nfs/dbraw/zinc/25/43/65/174254365.db2.gz VFTNRKNOGDFQFZ-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO COCCCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000358746778 174255079 /nfs/dbraw/zinc/25/50/79/174255079.db2.gz QWGNHCSAOKDMCU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000358746778 174255080 /nfs/dbraw/zinc/25/50/80/174255080.db2.gz QWGNHCSAOKDMCU-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC000272084579 174255605 /nfs/dbraw/zinc/25/56/05/174255605.db2.gz WUXBMEGRJVNPEC-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC000272084579 174255608 /nfs/dbraw/zinc/25/56/08/174255608.db2.gz WUXBMEGRJVNPEC-UHFFFAOYSA-N 1 2 241.335 0.905 20 0 BCADLO COCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000299661135 174270596 /nfs/dbraw/zinc/27/05/96/174270596.db2.gz NBDVGHROYUPFLE-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO COCCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000048731687 174271614 /nfs/dbraw/zinc/27/16/14/174271614.db2.gz HPIRCGNQOHCAFS-UHFFFAOYSA-N 1 2 240.307 0.561 20 0 BCADLO COCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000330389970 174281010 /nfs/dbraw/zinc/28/10/10/174281010.db2.gz OETBYDFJTHXWSY-UHFFFAOYSA-N 1 2 214.269 0.214 20 0 BCADLO COCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000330389970 174281011 /nfs/dbraw/zinc/28/10/11/174281011.db2.gz OETBYDFJTHXWSY-UHFFFAOYSA-N 1 2 214.269 0.214 20 0 BCADLO COCCN(C)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298109001 174283698 /nfs/dbraw/zinc/28/36/98/174283698.db2.gz AXHKNKKIOQNEQP-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO COCCN(C)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298109001 174283699 /nfs/dbraw/zinc/28/36/99/174283699.db2.gz AXHKNKKIOQNEQP-SECBINFHSA-N 1 2 240.307 0.352 20 0 BCADLO COCC[N@H+](CC(=O)OC)[C@H]1CCO[C@H]1C ZINC000355908477 174286124 /nfs/dbraw/zinc/28/61/24/174286124.db2.gz KSYUGPQENRRCHZ-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@@H+](CC(=O)OC)[C@H]1CCO[C@H]1C ZINC000355908477 174286125 /nfs/dbraw/zinc/28/61/25/174286125.db2.gz KSYUGPQENRRCHZ-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@H+](CCC[C@H](C)O)CC(=O)OC ZINC000354919613 174290737 /nfs/dbraw/zinc/29/07/37/174290737.db2.gz OFVQFPGFAQADLC-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO COCC[N@@H+](CCC[C@H](C)O)CC(=O)OC ZINC000354919613 174290739 /nfs/dbraw/zinc/29/07/39/174290739.db2.gz OFVQFPGFAQADLC-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO COCC[NH+](CCOC)Cc1ccon1 ZINC000122545328 174296365 /nfs/dbraw/zinc/29/63/65/174296365.db2.gz PIZMNKFNIOWVIX-UHFFFAOYSA-N 1 2 214.265 0.769 20 0 BCADLO COCC[NH+](CCOC)Cc1[nH]ncc1C ZINC000290569385 174296778 /nfs/dbraw/zinc/29/67/78/174296778.db2.gz YJCXLKLOSLUSRQ-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCC[NH+](CCOC)Cc1n[nH]cc1C ZINC000290569385 174296779 /nfs/dbraw/zinc/29/67/79/174296779.db2.gz YJCXLKLOSLUSRQ-UHFFFAOYSA-N 1 2 227.308 0.813 20 0 BCADLO COCC[N@H+](Cc1cc(C)no1)[C@@H](C)C(N)=O ZINC000171578088 174298555 /nfs/dbraw/zinc/29/85/55/174298555.db2.gz HTOOFNUJXOFKFJ-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cc(C)no1)[C@@H](C)C(N)=O ZINC000171578088 174298556 /nfs/dbraw/zinc/29/85/56/174298556.db2.gz HTOOFNUJXOFKFJ-VIFPVBQESA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@H+](Cc1cc(C)no1)[C@H](C)C(N)=O ZINC000171578094 174299960 /nfs/dbraw/zinc/29/99/60/174299960.db2.gz HTOOFNUJXOFKFJ-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@@H+](Cc1cc(C)no1)[C@H](C)C(N)=O ZINC000171578094 174299962 /nfs/dbraw/zinc/29/99/62/174299962.db2.gz HTOOFNUJXOFKFJ-SECBINFHSA-N 1 2 241.291 0.305 20 0 BCADLO COCC[N@H+](Cc1[nH]ncc1C)[C@@H]1CCOC1 ZINC000356384219 174300938 /nfs/dbraw/zinc/30/09/38/174300938.db2.gz DDMJFTHKMSEIKF-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+](Cc1[nH]ncc1C)[C@@H]1CCOC1 ZINC000356384219 174300939 /nfs/dbraw/zinc/30/09/39/174300939.db2.gz DDMJFTHKMSEIKF-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@H+](Cc1n[nH]cc1C)[C@@H]1CCOC1 ZINC000356384219 174300940 /nfs/dbraw/zinc/30/09/40/174300940.db2.gz DDMJFTHKMSEIKF-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+](Cc1n[nH]cc1C)[C@@H]1CCOC1 ZINC000356384219 174300941 /nfs/dbraw/zinc/30/09/41/174300941.db2.gz DDMJFTHKMSEIKF-LLVKDONJSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377485834 174306462 /nfs/dbraw/zinc/30/64/62/174306462.db2.gz SNMFJFPJUDSFLD-MRVPVSSYSA-N 1 2 226.280 0.336 20 0 BCADLO COCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377485834 174306464 /nfs/dbraw/zinc/30/64/64/174306464.db2.gz SNMFJFPJUDSFLD-MRVPVSSYSA-N 1 2 226.280 0.336 20 0 BCADLO COCCN1CCCN(c2cccc[nH+]2)CC1=O ZINC000302751343 174307611 /nfs/dbraw/zinc/30/76/11/174307611.db2.gz HCZFOFZYXNGCCC-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO COCC[NH+]1CCN(C(=O)CCC(C)=O)CC1 ZINC000337518589 174308942 /nfs/dbraw/zinc/30/89/42/174308942.db2.gz WQNRLFYXLDGMBT-UHFFFAOYSA-N 1 2 242.319 0.146 20 0 BCADLO COCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000370343641 174313013 /nfs/dbraw/zinc/31/30/13/174313013.db2.gz PVFBPNWOESCRMR-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000370343641 174313014 /nfs/dbraw/zinc/31/30/14/174313014.db2.gz PVFBPNWOESCRMR-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO COCCOCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264588425 174349389 /nfs/dbraw/zinc/34/93/89/174349389.db2.gz ABEHXHFXJDUERL-UHFFFAOYSA-N 1 2 241.291 0.501 20 0 BCADLO COCCOCC[N@H+](C)Cc1nc(C)no1 ZINC000336646037 174351493 /nfs/dbraw/zinc/35/14/93/174351493.db2.gz DNEKLRNUUOPHOG-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nc(C)no1 ZINC000336646037 174351494 /nfs/dbraw/zinc/35/14/94/174351494.db2.gz DNEKLRNUUOPHOG-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO COCCOCCNC(=O)CCn1cc[nH+]c1 ZINC000299688772 174356154 /nfs/dbraw/zinc/35/61/54/174356154.db2.gz VELIMNPORMOCHH-UHFFFAOYSA-N 1 2 241.291 0.052 20 0 BCADLO COCCOCC[NH2+]Cc1cn[nH]c1C ZINC000044424112 174357891 /nfs/dbraw/zinc/35/78/91/174357891.db2.gz XYABRVLOWQXGOP-UHFFFAOYSA-N 1 2 213.281 0.471 20 0 BCADLO COCCOCC[NH2+][C@H](C)c1nc(C)no1 ZINC000309969618 174358317 /nfs/dbraw/zinc/35/83/17/174358317.db2.gz OUCPFRFDYWZQJZ-MRVPVSSYSA-N 1 2 229.280 0.692 20 0 BCADLO COCC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264198622 174380501 /nfs/dbraw/zinc/38/05/01/174380501.db2.gz PPXFBDOSQDJALH-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO COCC[C@@H](COC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336677477 174391892 /nfs/dbraw/zinc/39/18/92/174391892.db2.gz COWZXWJYAQQPHF-QWRGUYRKSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)NC1CC1)c1ccco1 ZINC000184524068 174480975 /nfs/dbraw/zinc/48/09/75/174480975.db2.gz UHGGYMOMJZBDLR-SNVBAGLBSA-N 1 2 238.287 0.835 20 0 BCADLO COC[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000339094392 174530940 /nfs/dbraw/zinc/53/09/40/174530940.db2.gz RROMZVIJOVHWGE-SNVBAGLBSA-N 1 2 239.319 0.751 20 0 BCADLO CO[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000267710777 174885545 /nfs/dbraw/zinc/88/55/45/174885545.db2.gz SVZGKOQYPORLCK-JTQLQIEISA-N 1 2 238.291 0.313 20 0 BCADLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000085771414 175098742 /nfs/dbraw/zinc/09/87/42/175098742.db2.gz VSJUDQPGYMQIIX-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cn1 ZINC000085771414 175098747 /nfs/dbraw/zinc/09/87/47/175098747.db2.gz VSJUDQPGYMQIIX-NSHDSACASA-N 1 2 249.314 0.930 20 0 BCADLO COc1ccc2nc(C[N@@H+]3CC[C@H](O)C3)[nH]c2n1 ZINC000355007130 175228844 /nfs/dbraw/zinc/22/88/44/175228844.db2.gz QJCBOZXKPXYUPI-QMMMGPOBSA-N 1 2 248.286 0.533 20 0 BCADLO COc1ccc2nc(C[N@H+]3CC[C@H](O)C3)[nH]c2n1 ZINC000355007130 175228846 /nfs/dbraw/zinc/22/88/46/175228846.db2.gz QJCBOZXKPXYUPI-QMMMGPOBSA-N 1 2 248.286 0.533 20 0 BCADLO COc1cccc(C[N@H+](C)CC(=O)N(C)C)n1 ZINC000171859291 175253889 /nfs/dbraw/zinc/25/38/89/175253889.db2.gz RPWZQBJVPJRYFJ-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1cccc(C[N@@H+](C)CC(=O)N(C)C)n1 ZINC000171859291 175253891 /nfs/dbraw/zinc/25/38/91/175253891.db2.gz RPWZQBJVPJRYFJ-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1ccsc1C[N@H+](C)CC(N)=O ZINC000271043800 175377007 /nfs/dbraw/zinc/37/70/07/175377007.db2.gz KFNSSKQWUGXHOW-UHFFFAOYSA-N 1 2 214.290 0.674 20 0 BCADLO COc1ccsc1C[N@@H+](C)CC(N)=O ZINC000271043800 175377008 /nfs/dbraw/zinc/37/70/08/175377008.db2.gz KFNSSKQWUGXHOW-UHFFFAOYSA-N 1 2 214.290 0.674 20 0 BCADLO COc1ccccc1N1C(=O)C[C@H]([NH3+])C1=O ZINC000031992691 175335758 /nfs/dbraw/zinc/33/57/58/175335758.db2.gz WBCJEZNNZFFHTI-ZETCQYMHSA-N 1 2 220.228 0.286 20 0 BCADLO COc1cc[nH+]c(CN2CCOCC2)c1OC ZINC000190301124 175358088 /nfs/dbraw/zinc/35/80/88/175358088.db2.gz DVGJHGLQBKLCEE-UHFFFAOYSA-N 1 2 238.287 0.931 20 0 BCADLO COc1cc[nH+]c(CN2CCN(C)C(=O)C2)c1 ZINC000119292277 175358501 /nfs/dbraw/zinc/35/85/01/175358501.db2.gz CJBKJIITSLZDIV-UHFFFAOYSA-N 1 2 235.287 0.364 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282291167 175358639 /nfs/dbraw/zinc/35/86/39/175358639.db2.gz SDEBUPDAQPPWBY-JTQLQIEISA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)[C@@H]2C)c1 ZINC000106934167 175358641 /nfs/dbraw/zinc/35/86/41/175358641.db2.gz VDMQGAOGPOMKST-VIFPVBQESA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ncn(C)n1 ZINC000293234881 175371152 /nfs/dbraw/zinc/37/11/52/175371152.db2.gz DDJXSCGQISUWRR-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cc[nH+]cc1CNS(C)(=O)=O ZINC000292968844 175371322 /nfs/dbraw/zinc/37/13/22/175371322.db2.gz KZRFQTZXJWCPNC-UHFFFAOYSA-N 1 2 216.262 0.139 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cn(C)nn1 ZINC000293289877 175372336 /nfs/dbraw/zinc/37/23/36/175372336.db2.gz HQJWGFFSODWRMU-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCOC1 ZINC000293228730 175372522 /nfs/dbraw/zinc/37/25/22/175372522.db2.gz CPGRZAYAIQMIEU-SECBINFHSA-N 1 2 236.271 0.743 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000076098309 175375226 /nfs/dbraw/zinc/37/52/26/175375226.db2.gz XAESXZQGFOGCIP-JGVFFNPUSA-N 1 2 249.270 0.553 20 0 BCADLO COc1cc[nH+]cc1NC(=O)c1nccnc1N ZINC000358974636 175376039 /nfs/dbraw/zinc/37/60/39/175376039.db2.gz JFCOUISCRMMYJP-UHFFFAOYSA-N 1 2 245.242 0.715 20 0 BCADLO CSCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290994098 175458208 /nfs/dbraw/zinc/45/82/08/175458208.db2.gz XUAUMIHFVUGEHO-UHFFFAOYSA-N 1 2 211.290 0.588 20 0 BCADLO CSC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357778751 175522643 /nfs/dbraw/zinc/52/26/43/175522643.db2.gz ITOKZWKWBHDHFO-QMMMGPOBSA-N 1 2 242.348 0.971 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000331056137 175760449 /nfs/dbraw/zinc/76/04/49/175760449.db2.gz PPCXWZVRMURXFQ-VHSXEESVSA-N 1 2 239.319 0.486 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000360296528 175986949 /nfs/dbraw/zinc/98/69/49/175986949.db2.gz PPLGBOPKGJXUFR-RKDXNWHRSA-N 1 2 240.307 0.379 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329948793 176040132 /nfs/dbraw/zinc/04/01/32/176040132.db2.gz KZAHTHWAPFAQKT-VIFPVBQESA-N 1 2 237.307 0.384 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCOCC2(CC2)C1 ZINC000329948793 176040134 /nfs/dbraw/zinc/04/01/34/176040134.db2.gz KZAHTHWAPFAQKT-VIFPVBQESA-N 1 2 237.307 0.384 20 0 BCADLO C[C@@H]1C(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1C ZINC000329622906 176044640 /nfs/dbraw/zinc/04/46/40/176044640.db2.gz RYIJRQFFFCLMJY-HTQZYQBOSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@@H]1C(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1C ZINC000329622906 176044642 /nfs/dbraw/zinc/04/46/42/176044642.db2.gz RYIJRQFFFCLMJY-HTQZYQBOSA-N 1 2 248.286 0.550 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(CO)cc1 ZINC000182739436 176046067 /nfs/dbraw/zinc/04/60/67/176046067.db2.gz BFPRQBKRRRLNLL-SNVBAGLBSA-N 1 2 234.299 0.499 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182739436 176046068 /nfs/dbraw/zinc/04/60/68/176046068.db2.gz BFPRQBKRRRLNLL-SNVBAGLBSA-N 1 2 234.299 0.499 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290569270 176046181 /nfs/dbraw/zinc/04/61/81/176046181.db2.gz YHDNUPLKYAGUBB-MRVPVSSYSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000290569270 176046183 /nfs/dbraw/zinc/04/61/83/176046183.db2.gz YHDNUPLKYAGUBB-MRVPVSSYSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)nc1 ZINC000377890156 176050493 /nfs/dbraw/zinc/05/04/93/176050493.db2.gz SHFVYYMHDSPQJS-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)nc1 ZINC000377890156 176050496 /nfs/dbraw/zinc/05/04/96/176050496.db2.gz SHFVYYMHDSPQJS-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302869974 176111397 /nfs/dbraw/zinc/11/13/97/176111397.db2.gz BFPDLWNRJYZKKN-SSDOTTSWSA-N 1 2 232.291 0.934 20 0 BCADLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860149 176119880 /nfs/dbraw/zinc/11/98/80/176119880.db2.gz MEEVLZRTNSGBRH-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000354860149 176119881 /nfs/dbraw/zinc/11/98/81/176119881.db2.gz MEEVLZRTNSGBRH-SFYZADRCSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000330256965 176177163 /nfs/dbraw/zinc/17/71/63/176177163.db2.gz LBZMXZUSUJKTME-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000330256965 176177165 /nfs/dbraw/zinc/17/71/65/176177165.db2.gz LBZMXZUSUJKTME-SSDOTTSWSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@@H]1CO ZINC000235390638 176182964 /nfs/dbraw/zinc/18/29/64/176182964.db2.gz HIAKLHORQVXEFQ-RNFRBKRXSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000121871069 176195679 /nfs/dbraw/zinc/19/56/79/176195679.db2.gz BNDUSNAWRFZSJT-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)O1 ZINC000336609408 176221544 /nfs/dbraw/zinc/22/15/44/176221544.db2.gz VRMDHDNAHOZUHQ-RKDXNWHRSA-N 1 2 223.276 0.604 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2nnnn2C)O1 ZINC000336668699 176223702 /nfs/dbraw/zinc/22/37/02/176223702.db2.gz QEOQZXPOSKZSIZ-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2nnnn2C)O1 ZINC000336668699 176223703 /nfs/dbraw/zinc/22/37/03/176223703.db2.gz QEOQZXPOSKZSIZ-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC000263849078 176246672 /nfs/dbraw/zinc/24/66/72/176246672.db2.gz FKOLLYCWXVRPMO-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@H](C)CO1 ZINC000299690686 176246777 /nfs/dbraw/zinc/24/67/77/176246777.db2.gz WEAAWMDCZYCFJK-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@@H]1C ZINC000297953663 176250682 /nfs/dbraw/zinc/25/06/82/176250682.db2.gz WFMNRSDKCYZQHL-NXEZZACHSA-N 1 2 222.292 0.933 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000336487574 176267336 /nfs/dbraw/zinc/26/73/36/176267336.db2.gz PYJUEKVBNIROGK-MRVPVSSYSA-N 1 2 218.322 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000336487574 176267337 /nfs/dbraw/zinc/26/73/37/176267337.db2.gz PYJUEKVBNIROGK-MRVPVSSYSA-N 1 2 218.322 0.115 20 0 BCADLO C[C@@H]1C[N@@H+](CCCCO)CC[S@]1=O ZINC000336649655 176287745 /nfs/dbraw/zinc/28/77/45/176287745.db2.gz HISOTOIQUMUTCA-NOZJJQNGSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1O ZINC000351816224 176284150 /nfs/dbraw/zinc/28/41/50/176284150.db2.gz YMJWKAWYQFGXIV-SFYZADRCSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1O ZINC000351816224 176284152 /nfs/dbraw/zinc/28/41/52/176284152.db2.gz YMJWKAWYQFGXIV-SFYZADRCSA-N 1 2 241.316 0.394 20 0 BCADLO C[C@@H]1C[N@H+](CCCCO)CC[S@]1=O ZINC000336649655 176287744 /nfs/dbraw/zinc/28/77/44/176287744.db2.gz HISOTOIQUMUTCA-NOZJJQNGSA-N 1 2 205.323 0.212 20 0 BCADLO C[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CC(=O)N1 ZINC000333696445 176293260 /nfs/dbraw/zinc/29/32/60/176293260.db2.gz NFIMGSKBEVYVCO-PWSUYJOCSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CC(=O)N1 ZINC000333696445 176293261 /nfs/dbraw/zinc/29/32/61/176293261.db2.gz NFIMGSKBEVYVCO-PWSUYJOCSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccncc2)CC(=O)N1 ZINC000296315744 176294884 /nfs/dbraw/zinc/29/48/84/176294884.db2.gz SZPGGKNLPQMNHD-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccncc2)CC(=O)N1 ZINC000296315744 176294885 /nfs/dbraw/zinc/29/48/85/176294885.db2.gz SZPGGKNLPQMNHD-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CC(=O)N1C ZINC000282451296 176299426 /nfs/dbraw/zinc/29/94/26/176299426.db2.gz ZVKNIISMDCHHSF-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CC(=O)N1C ZINC000282451296 176299428 /nfs/dbraw/zinc/29/94/28/176299428.db2.gz ZVKNIISMDCHHSF-YPMHNXCESA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H](C(N)=O)O1 ZINC000092006314 176307471 /nfs/dbraw/zinc/30/74/71/176307471.db2.gz CPKJZHMYCVQOFK-SCZZXKLOSA-N 1 2 224.260 0.354 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H](C(N)=O)O1 ZINC000092006314 176307472 /nfs/dbraw/zinc/30/74/72/176307472.db2.gz CPKJZHMYCVQOFK-SCZZXKLOSA-N 1 2 224.260 0.354 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H](C(N)=O)O1 ZINC000092008134 176308539 /nfs/dbraw/zinc/30/85/39/176308539.db2.gz XOCLQAWHRVRZIT-PSASIEDQSA-N 1 2 240.328 0.823 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H](C(N)=O)O1 ZINC000092008134 176308540 /nfs/dbraw/zinc/30/85/40/176308540.db2.gz XOCLQAWHRVRZIT-PSASIEDQSA-N 1 2 240.328 0.823 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H](C2CC2)O1 ZINC000373477374 176309950 /nfs/dbraw/zinc/30/99/50/176309950.db2.gz ZUVVONGBRAUHTH-BXKDBHETSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C2CC2)O1 ZINC000373477374 176309952 /nfs/dbraw/zinc/30/99/52/176309952.db2.gz ZUVVONGBRAUHTH-BXKDBHETSA-N 1 2 236.319 0.814 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](CO)O1 ZINC000191767598 176311171 /nfs/dbraw/zinc/31/11/71/176311171.db2.gz SQVAKLWDAYLTOV-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](CO)O1 ZINC000191767598 176311174 /nfs/dbraw/zinc/31/11/74/176311174.db2.gz SQVAKLWDAYLTOV-MWLCHTKSSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[S@]1=O ZINC000353860446 176311693 /nfs/dbraw/zinc/31/16/93/176311693.db2.gz DWZQKRPAGFOZQR-XLKFXECMSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)[C@@H]1C ZINC000339571135 176312898 /nfs/dbraw/zinc/31/28/98/176312898.db2.gz ASGKXSOHKIXOFA-RKDXNWHRSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)[C@@H]1C ZINC000339571135 176312899 /nfs/dbraw/zinc/31/28/99/176312899.db2.gz ASGKXSOHKIXOFA-RKDXNWHRSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)[C@@H]1C ZINC000339584149 176313401 /nfs/dbraw/zinc/31/34/01/176313401.db2.gz XXKIPAKRZHDXKB-HTQZYQBOSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)[C@@H]1C ZINC000339584149 176313402 /nfs/dbraw/zinc/31/34/02/176313402.db2.gz XXKIPAKRZHDXKB-HTQZYQBOSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@@]2(CCOC2)O1 ZINC000376675533 176314873 /nfs/dbraw/zinc/31/48/73/176314873.db2.gz YRXZTZQQEQUIAZ-CKYFFXLPSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@@]2(CCOC2)O1 ZINC000376675533 176314874 /nfs/dbraw/zinc/31/48/74/176314874.db2.gz YRXZTZQQEQUIAZ-CKYFFXLPSA-N 1 2 241.287 0.182 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375949773 176317258 /nfs/dbraw/zinc/31/72/58/176317258.db2.gz YQUADZQHXCBTLR-LYGAQUJYSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375949773 176317260 /nfs/dbraw/zinc/31/72/60/176317260.db2.gz YQUADZQHXCBTLR-LYGAQUJYSA-N 1 2 246.376 0.164 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC(=O)N1 ZINC000296237315 176317298 /nfs/dbraw/zinc/31/72/98/176317298.db2.gz ORPZAQPQGCOCNH-IUPBHXKESA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC(=O)N1 ZINC000296237315 176317300 /nfs/dbraw/zinc/31/73/00/176317300.db2.gz ORPZAQPQGCOCNH-IUPBHXKESA-N 1 2 246.310 0.465 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000373403114 176317522 /nfs/dbraw/zinc/31/75/22/176317522.db2.gz NAFKVRBBDDBGOM-MIMYLULJSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@@H](C2CC2)O1 ZINC000373403114 176317524 /nfs/dbraw/zinc/31/75/24/176317524.db2.gz NAFKVRBBDDBGOM-MIMYLULJSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CO ZINC000189617112 176321417 /nfs/dbraw/zinc/32/14/17/176321417.db2.gz YDSIXBVZOVBLRD-BDAKNGLRSA-N 1 2 247.302 0.428 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2cnn(C)n2)C1 ZINC000377825949 176333077 /nfs/dbraw/zinc/33/30/77/176333077.db2.gz HLEPGBFLAJPFGA-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000377825949 176333080 /nfs/dbraw/zinc/33/30/80/176333080.db2.gz HLEPGBFLAJPFGA-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1Cc1[nH+]ccn1C ZINC000328671762 176348274 /nfs/dbraw/zinc/34/82/74/176348274.db2.gz NRXPYYXAJZDSJJ-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(=O)[nH][nH]1 ZINC000271648248 176351638 /nfs/dbraw/zinc/35/16/38/176351638.db2.gz UILXWCDFKVFEBR-ZCFIWIBFSA-N 1 2 214.294 0.035 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1nc(=O)[nH][nH]1 ZINC000271648248 176351641 /nfs/dbraw/zinc/35/16/41/176351641.db2.gz UILXWCDFKVFEBR-ZCFIWIBFSA-N 1 2 214.294 0.035 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330380405 176366700 /nfs/dbraw/zinc/36/67/00/176366700.db2.gz MBZNZOQHJXUQAI-FXPVBKGRSA-N 1 2 237.303 0.882 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000354211833 176389699 /nfs/dbraw/zinc/38/96/99/176389699.db2.gz YIGCQWKZUCHBIR-IJLUTSLNSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000354211833 176389701 /nfs/dbraw/zinc/38/97/01/176389701.db2.gz YIGCQWKZUCHBIR-IJLUTSLNSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000353770207 176390211 /nfs/dbraw/zinc/39/02/11/176390211.db2.gz GJCMZUIMYBOPFC-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000353770207 176390212 /nfs/dbraw/zinc/39/02/12/176390212.db2.gz GJCMZUIMYBOPFC-MXWKQRLJSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285778785 176391967 /nfs/dbraw/zinc/39/19/67/176391967.db2.gz CKCVZMXWJKSWMK-MRTMQBJTSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@@H]1C[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285778785 176391969 /nfs/dbraw/zinc/39/19/69/176391969.db2.gz CKCVZMXWJKSWMK-MRTMQBJTSA-N 1 2 248.286 0.529 20 0 BCADLO C[C@H](CNC(=O)c1ccnnc1)Cn1cc[nH+]c1 ZINC000270682501 176677570 /nfs/dbraw/zinc/67/75/70/176677570.db2.gz SLOUUTRTWBZULF-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@]1(C)CCCO1 ZINC000309661299 176885207 /nfs/dbraw/zinc/88/52/07/176885207.db2.gz AYHYTAHADTZTHR-WCBMZHEXSA-N 1 2 225.296 0.257 20 0 BCADLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000136158393 176942203 /nfs/dbraw/zinc/94/22/03/176942203.db2.gz ZSUHLEUKMOXWAU-NSHDSACASA-N 1 2 249.314 0.107 20 0 BCADLO C[C@H](O)C[C@H]1COCCN1Cc1[nH+]ccn1C ZINC000157123489 177001927 /nfs/dbraw/zinc/00/19/27/177001927.db2.gz UXJQDDMQQFUASN-QWRGUYRKSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663175 177002263 /nfs/dbraw/zinc/00/22/63/177002263.db2.gz BYKQRIUZRNFXDL-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663175 177002264 /nfs/dbraw/zinc/00/22/64/177002264.db2.gz BYKQRIUZRNFXDL-JGVFFNPUSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccno1 ZINC000265001063 177031174 /nfs/dbraw/zinc/03/11/74/177031174.db2.gz VIERKSSRVOXSRN-RKDXNWHRSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccno1 ZINC000265001063 177031175 /nfs/dbraw/zinc/03/11/75/177031175.db2.gz VIERKSSRVOXSRN-RKDXNWHRSA-N 1 2 246.332 0.928 20 0 BCADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NC(N)=O ZINC000091704312 177042538 /nfs/dbraw/zinc/04/25/38/177042538.db2.gz MEIQPFAWPBBOTF-MRVPVSSYSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NC(N)=O ZINC000091704312 177042539 /nfs/dbraw/zinc/04/25/39/177042539.db2.gz MEIQPFAWPBBOTF-MRVPVSSYSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@H](c1cccnc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000265858654 177045751 /nfs/dbraw/zinc/04/57/51/177045751.db2.gz RMRLDNLEKKAYEE-SNVBAGLBSA-N 1 2 219.288 0.917 20 0 BCADLO C[C@H](c1cccnc1)[N@H+]1CCN(C)C(=O)C1 ZINC000265858654 177045753 /nfs/dbraw/zinc/04/57/53/177045753.db2.gz RMRLDNLEKKAYEE-SNVBAGLBSA-N 1 2 219.288 0.917 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000329885637 177055413 /nfs/dbraw/zinc/05/54/13/177055413.db2.gz UXRRVCVXZUPJMN-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000329885637 177055415 /nfs/dbraw/zinc/05/54/15/177055415.db2.gz UXRRVCVXZUPJMN-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H]1C(=O)N([C@@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000329174506 177057672 /nfs/dbraw/zinc/05/76/72/177057672.db2.gz LXHFLUOIQBVJAQ-DTWKUNHWSA-N 1 2 248.286 0.480 20 0 BCADLO C[C@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)N1C ZINC000332714662 177057965 /nfs/dbraw/zinc/05/79/65/177057965.db2.gz PQYLPVROQVYLPZ-ZETCQYMHSA-N 1 2 222.248 0.203 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000123416919 177059514 /nfs/dbraw/zinc/05/95/14/177059514.db2.gz TUXJEMDKMZZZKW-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000123416919 177059516 /nfs/dbraw/zinc/05/95/16/177059516.db2.gz TUXJEMDKMZZZKW-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000245913853 177059632 /nfs/dbraw/zinc/05/96/32/177059632.db2.gz PZUNTKMECCOQIV-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000245913853 177059635 /nfs/dbraw/zinc/05/96/35/177059635.db2.gz PZUNTKMECCOQIV-CMPLNLGQSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000104691372 177059695 /nfs/dbraw/zinc/05/96/95/177059695.db2.gz PZUNTKMECCOQIV-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000104691372 177059696 /nfs/dbraw/zinc/05/96/96/177059696.db2.gz PZUNTKMECCOQIV-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C(=O)NCCN1Cc1cn2ccccc2[nH+]1 ZINC000104690776 177060175 /nfs/dbraw/zinc/06/01/75/177060175.db2.gz NWNMJDDPFCSBHP-JTQLQIEISA-N 1 2 244.298 0.655 20 0 BCADLO C[C@H]1C(=O)NCCN1c1[nH+]c2ccccc2n1C ZINC000271590327 177060680 /nfs/dbraw/zinc/06/06/80/177060680.db2.gz GHCIHVWMBPOPGX-VIFPVBQESA-N 1 2 244.298 0.898 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc[nH]n1 ZINC000367667500 177063153 /nfs/dbraw/zinc/06/31/53/177063153.db2.gz BQNHPVWXXOZXIK-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc[nH]n1 ZINC000367667500 177063154 /nfs/dbraw/zinc/06/31/54/177063154.db2.gz BQNHPVWXXOZXIK-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1nnn(C)n1 ZINC000194434688 177131916 /nfs/dbraw/zinc/13/19/16/177131916.db2.gz RDIPDIMZNXNWDD-IUCAKERBSA-N 1 2 209.297 0.973 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cscn1 ZINC000193565052 177173568 /nfs/dbraw/zinc/17/35/68/177173568.db2.gz CBJAWSRJPFCIEJ-IONNQARKSA-N 1 2 225.317 0.757 20 0 BCADLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000336587712 177196463 /nfs/dbraw/zinc/19/64/63/177196463.db2.gz YYFBMMYVMULEBP-RYUDHWBXSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000329416960 177215305 /nfs/dbraw/zinc/21/53/05/177215305.db2.gz FVWLQEWVPXAWTB-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000329416960 177215306 /nfs/dbraw/zinc/21/53/06/177215306.db2.gz FVWLQEWVPXAWTB-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC000263849082 177215569 /nfs/dbraw/zinc/21/55/69/177215569.db2.gz FKOLLYCWXVRPMO-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000357922232 177215886 /nfs/dbraw/zinc/21/58/86/177215886.db2.gz ZIESPGBZWIMZBA-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000299690688 177216630 /nfs/dbraw/zinc/21/66/30/177216630.db2.gz WEAAWMDCZYCFJK-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007111 177230642 /nfs/dbraw/zinc/23/06/42/177230642.db2.gz VFKGEHUVGQTEAN-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cncc(O)c1 ZINC000340007111 177230644 /nfs/dbraw/zinc/23/06/44/177230644.db2.gz VFKGEHUVGQTEAN-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000220334144 177243862 /nfs/dbraw/zinc/24/38/62/177243862.db2.gz PLLHPAKUUAKEFX-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](C)CO1 ZINC000220334144 177243863 /nfs/dbraw/zinc/24/38/63/177243863.db2.gz PLLHPAKUUAKEFX-IUCAKERBSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@H]1CN(CC[N@@H+]2CCOCC23CC3)CCO1 ZINC000338593495 177250489 /nfs/dbraw/zinc/25/04/89/177250489.db2.gz RROQGQWCBDIQFH-LBPRGKRZSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@H]1CN(CC[N@H+]2CCOCC23CC3)CCO1 ZINC000338593495 177250491 /nfs/dbraw/zinc/25/04/91/177250491.db2.gz RROQGQWCBDIQFH-LBPRGKRZSA-N 1 2 240.347 0.572 20 0 BCADLO C[C@H]1C[N@H+](CCN2CC[C@@](F)(CO)C2)CCO1 ZINC000338590065 177250782 /nfs/dbraw/zinc/25/07/82/177250782.db2.gz WNYHZPMFPFJTHC-RYUDHWBXSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CC[C@@](F)(CO)C2)CCO1 ZINC000338590065 177250784 /nfs/dbraw/zinc/25/07/84/177250784.db2.gz WNYHZPMFPFJTHC-RYUDHWBXSA-N 1 2 246.326 0.113 20 0 BCADLO C[C@H]1C[N@H+](CCN(C)Cc2ccon2)CCO1 ZINC000337210581 177251890 /nfs/dbraw/zinc/25/18/90/177251890.db2.gz CRYGTKSYWMPFBJ-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1C[N@@H+](CCN(C)Cc2ccon2)CCO1 ZINC000337210581 177251892 /nfs/dbraw/zinc/25/18/92/177251892.db2.gz CRYGTKSYWMPFBJ-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@H]1C[N@H+](CCc2cscn2)CC(=O)N1 ZINC000296146725 177256143 /nfs/dbraw/zinc/25/61/43/177256143.db2.gz JKSHVHJUWGCRFA-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cscn2)CC(=O)N1 ZINC000296146725 177256145 /nfs/dbraw/zinc/25/61/45/177256145.db2.gz JKSHVHJUWGCRFA-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@H]1C[N@H+](CCc2cn[nH]c2)CC(=O)N1C ZINC000297739975 177256580 /nfs/dbraw/zinc/25/65/80/177256580.db2.gz SXHHMZLVNKSIAU-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cn[nH]c2)CC(=O)N1C ZINC000297739975 177256582 /nfs/dbraw/zinc/25/65/82/177256582.db2.gz SXHHMZLVNKSIAU-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC(=O)N1 ZINC000294980031 177263018 /nfs/dbraw/zinc/26/30/18/177263018.db2.gz JQNHCTORXRODCF-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC(=O)N1 ZINC000294980031 177263019 /nfs/dbraw/zinc/26/30/19/177263019.db2.gz JQNHCTORXRODCF-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC(C)(C)O1 ZINC000336668711 177269237 /nfs/dbraw/zinc/26/92/37/177269237.db2.gz QUGRCHZKVJEZLD-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC(C)(C)O1 ZINC000336668711 177269239 /nfs/dbraw/zinc/26/92/39/177269239.db2.gz QUGRCHZKVJEZLD-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[S@@](=O)C1 ZINC000361327652 177270042 /nfs/dbraw/zinc/27/00/42/177270042.db2.gz ZPGDJZAIFMSDKK-BJOHPYRUSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[S@@](=O)C1 ZINC000361327652 177270043 /nfs/dbraw/zinc/27/00/43/177270043.db2.gz ZPGDJZAIFMSDKK-BJOHPYRUSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CO ZINC000362070741 177270664 /nfs/dbraw/zinc/27/06/64/177270664.db2.gz HDIQHZAWIHMMQX-WPRPVWTQSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CO ZINC000362070741 177270668 /nfs/dbraw/zinc/27/06/68/177270668.db2.gz HDIQHZAWIHMMQX-WPRPVWTQSA-N 1 2 236.319 0.742 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292913900 177271322 /nfs/dbraw/zinc/27/13/22/177271322.db2.gz FONUQPHOEQFGRX-JGVFFNPUSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000292913900 177271324 /nfs/dbraw/zinc/27/13/24/177271324.db2.gz FONUQPHOEQFGRX-JGVFFNPUSA-N 1 2 236.323 0.360 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2CCF)CCCO1 ZINC000369070268 177271845 /nfs/dbraw/zinc/27/18/45/177271845.db2.gz HXEJKGVHUQXJMI-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2CCF)CCCO1 ZINC000369070268 177271847 /nfs/dbraw/zinc/27/18/47/177271847.db2.gz HXEJKGVHUQXJMI-JTQLQIEISA-N 1 2 242.298 0.858 20 0 BCADLO C[C@H]1COCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282743482 177296536 /nfs/dbraw/zinc/29/65/36/177296536.db2.gz JLSZNQAUHSXLQU-CWVBBZIGSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1Cc1c[nH+]c[nH]1 ZINC000353902772 177302796 /nfs/dbraw/zinc/30/27/96/177302796.db2.gz UZQSLBWSATXAFU-QMMMGPOBSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@H]1CS(=O)(=O)CCN1Cc1c[nH]c[nH+]1 ZINC000353902772 177302799 /nfs/dbraw/zinc/30/27/99/177302799.db2.gz UZQSLBWSATXAFU-QMMMGPOBSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[NH+](C)CC2)O1 ZINC000337218366 177320689 /nfs/dbraw/zinc/32/06/89/177320689.db2.gz JBPYAMZQHQJBAM-AXFHLTTASA-N 1 2 226.320 0.574 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc2n1CCCC2 ZINC000331534220 177338742 /nfs/dbraw/zinc/33/87/42/177338742.db2.gz GLIAMLBVHJJLFD-VHSXEESVSA-N 1 2 236.319 0.570 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc2n1CCCC2 ZINC000331534220 177338744 /nfs/dbraw/zinc/33/87/44/177338744.db2.gz GLIAMLBVHJJLFD-VHSXEESVSA-N 1 2 236.319 0.570 20 0 BCADLO CC(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000678786384 487643033 /nfs/dbraw/zinc/64/30/33/487643033.db2.gz KJFZDYRHQHBLSD-UHFFFAOYSA-N 1 2 223.251 0.889 20 0 BCADLO COCC[NH+](CCOC)Cc1cc(C)n(C)n1 ZINC000487375134 225302927 /nfs/dbraw/zinc/30/29/27/225302927.db2.gz KWQRVBLKXWCHGJ-UHFFFAOYSA-N 1 2 241.335 0.823 20 0 BCADLO COc1ncccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000488167081 225351129 /nfs/dbraw/zinc/35/11/29/225351129.db2.gz JONMFEGIZCZJHT-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1ncccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000488167081 225351133 /nfs/dbraw/zinc/35/11/33/225351133.db2.gz JONMFEGIZCZJHT-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO Cc1cc(N2CCC[C@](O)(CO)C2)nc[nH+]1 ZINC000313640932 487645166 /nfs/dbraw/zinc/64/51/66/487645166.db2.gz YKWYNINEHMPMQW-LLVKDONJSA-N 1 2 223.276 0.109 20 0 BCADLO Cc1cc(N2C[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000672274623 487644660 /nfs/dbraw/zinc/64/46/60/487644660.db2.gz KRIGILHPNIMFOM-AOOOYVTPSA-N 1 2 205.261 0.868 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000557008975 322933195 /nfs/dbraw/zinc/93/31/95/322933195.db2.gz HJMFLRFKZPNDNY-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2n[nH]nc2C1 ZINC000492764854 226048894 /nfs/dbraw/zinc/04/88/94/226048894.db2.gz KUKFAMQAVTYTSR-UPHRSURJSA-N 1 2 244.258 0.126 20 0 BCADLO C[C@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492775148 226050098 /nfs/dbraw/zinc/05/00/98/226050098.db2.gz XSLSSEMTBRFJPC-QUCGXOGASA-N 1 2 221.260 0.406 20 0 BCADLO COC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492811052 226058130 /nfs/dbraw/zinc/05/81/30/226058130.db2.gz JRYFBKIBECOOJK-NSCUHMNNSA-N 1 2 207.233 0.280 20 0 BCADLO Cc1nn(C)cc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814239 226058832 /nfs/dbraw/zinc/05/88/32/226058832.db2.gz UAWRHFQATDOORE-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC(=O)N1 ZINC000492816157 226059981 /nfs/dbraw/zinc/05/99/81/226059981.db2.gz ZHKAZFLNVQRFRK-ORAHPGNNSA-N 1 2 248.286 0.208 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CCO ZINC000492822272 226060109 /nfs/dbraw/zinc/06/01/09/226060109.db2.gz IBRTULAQZFWLMH-UFFNRZRYSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)NCC1CC1 ZINC000492815519 226060289 /nfs/dbraw/zinc/06/02/89/226060289.db2.gz XLFCCOMDFJTAEG-ARJAWSKDSA-N 1 2 248.286 0.065 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)CC(F)F ZINC000492820245 226060357 /nfs/dbraw/zinc/06/03/57/226060357.db2.gz ATHACEQNKYANJU-FHKCNRDCSA-N 1 2 245.229 0.555 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)OCC1CC1 ZINC000492861909 226070341 /nfs/dbraw/zinc/07/03/41/226070341.db2.gz KCDSSLAFGIQRKY-ARJAWSKDSA-N 1 2 249.270 0.492 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCn1ccnn1 ZINC000492900578 226079560 /nfs/dbraw/zinc/07/95/60/226079560.db2.gz NWAMCDVCYUTQPS-NSCUHMNNSA-N 1 2 246.274 0.221 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CCO)CC1 ZINC000492938444 226086664 /nfs/dbraw/zinc/08/66/64/226086664.db2.gz ADXZQXJESHHZRS-OWOJBTEDSA-N 1 2 221.260 0.454 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493294244 226177331 /nfs/dbraw/zinc/17/73/31/226177331.db2.gz RHOBJOHZDUGXLX-MOVJSRMASA-N 1 2 223.276 0.916 20 0 BCADLO C[C@@H]1COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493321048 226185826 /nfs/dbraw/zinc/18/58/26/226185826.db2.gz LSFBLWUYUWGBFN-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCO1 ZINC000493320152 226185997 /nfs/dbraw/zinc/18/59/97/226185997.db2.gz LACVKHBZMZRAPF-ONEGZZNKSA-N 1 2 207.233 0.977 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCC1 ZINC000493019565 226106062 /nfs/dbraw/zinc/10/60/62/226106062.db2.gz KEXKDSPKTFCRRP-IHWYPQMZSA-N 1 2 221.260 0.454 20 0 BCADLO CN(C(=O)/C=C\c1[nH]cc[nH+]1)C(C)(C)C(N)=O ZINC000493077997 226119384 /nfs/dbraw/zinc/11/93/84/226119384.db2.gz ZPJKYFAJZNDLSV-PLNGDYQASA-N 1 2 236.275 0.145 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCO1 ZINC000493103936 226127084 /nfs/dbraw/zinc/12/70/84/226127084.db2.gz ISLGQNVEBLNRJX-NWALNABHSA-N 1 2 221.260 0.718 20 0 BCADLO Cn1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493150549 226139193 /nfs/dbraw/zinc/13/91/93/226139193.db2.gz JQXHACHYNDYUEF-NSCUHMNNSA-N 1 2 231.259 0.473 20 0 BCADLO COCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493146999 226139809 /nfs/dbraw/zinc/13/98/09/226139809.db2.gz HKHASROERBSYQL-ONEGZZNKSA-N 1 2 209.249 0.576 20 0 BCADLO C[C@H](O)C[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493398647 226205452 /nfs/dbraw/zinc/20/54/52/226205452.db2.gz WTJRXKULAJFXDI-OHINUGQQSA-N 1 2 237.303 0.946 20 0 BCADLO C[C@@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493417353 226210315 /nfs/dbraw/zinc/21/03/15/226210315.db2.gz GMOBMIVSPJDKLG-JDGPPOGSSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@H](O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493449115 226219719 /nfs/dbraw/zinc/21/97/19/226219719.db2.gz HJUBJJWQMNDMBF-TYRPZCRBSA-N 1 2 223.276 0.652 20 0 BCADLO CO[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493479310 226228155 /nfs/dbraw/zinc/22/81/55/226228155.db2.gz IMNUCZLHRSBDMG-YEZKRMTDSA-N 1 2 235.287 0.964 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](O)C1 ZINC000493484154 226229177 /nfs/dbraw/zinc/22/91/77/226229177.db2.gz ATKWIKSINTWQHO-NWALNABHSA-N 1 2 221.260 0.406 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(CO)CC1 ZINC000493488156 226230644 /nfs/dbraw/zinc/23/06/44/226230644.db2.gz NDXOOXQUJUTTTR-UPHRSURJSA-N 1 2 235.287 0.654 20 0 BCADLO CN(C)C(=O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493618618 226246208 /nfs/dbraw/zinc/24/62/08/226246208.db2.gz NAJGGMWZTYQYFW-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO COC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493653991 226247786 /nfs/dbraw/zinc/24/77/86/226247786.db2.gz ZEWTXCUFQIICBX-VMZHVLLKSA-N 1 2 235.287 0.918 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCNC(=O)C1CC1 ZINC000493659080 226248032 /nfs/dbraw/zinc/24/80/32/226248032.db2.gz LBZIGYGTEUJJPA-ONEGZZNKSA-N 1 2 248.286 0.065 20 0 BCADLO C[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(=O)N(C)C ZINC000493706393 226250349 /nfs/dbraw/zinc/25/03/49/226250349.db2.gz LZDXEKJNGQGCQN-PULIVWKDSA-N 1 2 236.275 0.016 20 0 BCADLO C[C@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC(=O)N1 ZINC000493711121 226250635 /nfs/dbraw/zinc/25/06/35/226250635.db2.gz UUGTTYGYDMRDGZ-QAVQXKDTSA-N 1 2 248.286 0.208 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(=O)OCC1CC1 ZINC000493789621 226254109 /nfs/dbraw/zinc/25/41/09/226254109.db2.gz MZKAAKOCBHJOSK-ONEGZZNKSA-N 1 2 249.270 0.492 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000493818746 226255595 /nfs/dbraw/zinc/25/55/95/226255595.db2.gz SSUWCVUTQWCVPS-CFUOYWMPSA-N 1 2 235.287 0.700 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000494659005 226267784 /nfs/dbraw/zinc/26/77/84/226267784.db2.gz KWYGMJRCUYBPGE-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000494659005 226267785 /nfs/dbraw/zinc/26/77/85/226267785.db2.gz KWYGMJRCUYBPGE-NSHDSACASA-N 1 2 248.286 0.421 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495725381 226286378 /nfs/dbraw/zinc/28/63/78/226286378.db2.gz FAIDJFPZFVWQIB-IUCAKERBSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000495725381 226286379 /nfs/dbraw/zinc/28/63/79/226286379.db2.gz FAIDJFPZFVWQIB-IUCAKERBSA-N 1 2 242.275 0.074 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496380446 226303405 /nfs/dbraw/zinc/30/34/05/226303405.db2.gz ZCBSCBQQIVJXMR-BDAKNGLRSA-N 1 2 243.307 0.023 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496380446 226303406 /nfs/dbraw/zinc/30/34/06/226303406.db2.gz ZCBSCBQQIVJXMR-BDAKNGLRSA-N 1 2 243.307 0.023 20 0 BCADLO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496459747 226305409 /nfs/dbraw/zinc/30/54/09/226305409.db2.gz XVTWRMOEXBBBFP-AEJSXWLSSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496459747 226305410 /nfs/dbraw/zinc/30/54/10/226305410.db2.gz XVTWRMOEXBBBFP-AEJSXWLSSA-N 1 2 228.292 0.546 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)OCCCF ZINC000496475943 226305871 /nfs/dbraw/zinc/30/58/71/226305871.db2.gz UDWSQNNRDJZYNK-JTQLQIEISA-N 1 2 245.298 0.072 20 0 BCADLO Cc1cc(C)c(CNC(=O)[C@@H]2COC(=O)N2)c[nH+]1 ZINC000496526759 226307315 /nfs/dbraw/zinc/30/73/15/226307315.db2.gz MNYNRQZZHPQSFO-JTQLQIEISA-N 1 2 249.270 0.423 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)OC1CCC1 ZINC000497020568 226320303 /nfs/dbraw/zinc/32/03/03/226320303.db2.gz KRJFWPDCSRLAGO-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)OC1CCC1 ZINC000497020568 226320304 /nfs/dbraw/zinc/32/03/04/226320304.db2.gz KRJFWPDCSRLAGO-JTQLQIEISA-N 1 2 242.319 0.986 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)[C@H](C)CN1C ZINC000495732716 226287754 /nfs/dbraw/zinc/28/77/54/226287754.db2.gz XSSYPLBLWLUXDZ-MXWKQRLJSA-N 1 2 241.335 0.461 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)[C@H](C)CN1C ZINC000495732716 226287755 /nfs/dbraw/zinc/28/77/55/226287755.db2.gz XSSYPLBLWLUXDZ-MXWKQRLJSA-N 1 2 241.335 0.461 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2COC(=O)N2)c(C)[nH+]1 ZINC000495910281 226291885 /nfs/dbraw/zinc/29/18/85/226291885.db2.gz ATRATBMJMLOBDT-SECBINFHSA-N 1 2 235.243 0.745 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)nn1C ZINC000680865677 487660561 /nfs/dbraw/zinc/66/05/61/487660561.db2.gz RGPGOBSUKIHAPY-GFCCVEGCSA-N 1 2 239.319 0.312 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)nn1C ZINC000680865677 487660564 /nfs/dbraw/zinc/66/05/64/487660564.db2.gz RGPGOBSUKIHAPY-GFCCVEGCSA-N 1 2 239.319 0.312 20 0 BCADLO CC[C@@](C)(C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895744150 583715627 /nfs/dbraw/zinc/71/56/27/583715627.db2.gz WIMGQTMNVKOKBE-YWVKMMECSA-N 1 2 233.308 0.314 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000680876253 487663101 /nfs/dbraw/zinc/66/31/01/487663101.db2.gz PAMJLXHSNHNAFN-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000680876253 487663102 /nfs/dbraw/zinc/66/31/02/487663102.db2.gz PAMJLXHSNHNAFN-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO COCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557427715 322937183 /nfs/dbraw/zinc/93/71/83/322937183.db2.gz RYOAXCQYBDWZTG-UHFFFAOYSA-N 1 2 200.282 0.091 20 0 BCADLO COCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557444868 322937293 /nfs/dbraw/zinc/93/72/93/322937293.db2.gz YRHJXKCRIVAGBC-SNVBAGLBSA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023492 487664292 /nfs/dbraw/zinc/66/42/92/487664292.db2.gz JWEDBWXXEIJSQL-QMMMGPOBSA-N 1 2 244.298 0.836 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2CO)s1 ZINC000680886473 487665072 /nfs/dbraw/zinc/66/50/72/487665072.db2.gz ORGQBFMXHSOOHJ-JGVFFNPUSA-N 1 2 243.332 0.028 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2CO)s1 ZINC000680886473 487665077 /nfs/dbraw/zinc/66/50/77/487665077.db2.gz ORGQBFMXHSOOHJ-JGVFFNPUSA-N 1 2 243.332 0.028 20 0 BCADLO CCCN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000057612828 322937745 /nfs/dbraw/zinc/93/77/45/322937745.db2.gz QPGIILRXAAHAJM-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO C[C@@H]([NH2+]CCc1c[nH]nn1)c1csnn1 ZINC000660810254 487667354 /nfs/dbraw/zinc/66/73/54/487667354.db2.gz ZZXXBPYACQOGIN-ZCFIWIBFSA-N 1 2 224.293 0.550 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000488270699 229180552 /nfs/dbraw/zinc/18/05/52/229180552.db2.gz IPEXTXUSIJPKRD-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO CCn1ncnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000488270699 229180555 /nfs/dbraw/zinc/18/05/55/229180555.db2.gz IPEXTXUSIJPKRD-UHFFFAOYSA-N 1 2 236.319 0.910 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1O ZINC000493551462 229214303 /nfs/dbraw/zinc/21/43/03/229214303.db2.gz IYXMUZWVXDIXDZ-HOMPQPGZSA-N 1 2 221.260 0.453 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCc2n[nH]cc21 ZINC000675140556 487674101 /nfs/dbraw/zinc/67/41/01/487674101.db2.gz NVVODAUXJSXCNE-VIFPVBQESA-N 1 2 245.286 0.869 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCc2n[nH]cc21 ZINC000675140556 487674105 /nfs/dbraw/zinc/67/41/05/487674105.db2.gz NVVODAUXJSXCNE-VIFPVBQESA-N 1 2 245.286 0.869 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(O)cc2)C1 ZINC000383960935 487684302 /nfs/dbraw/zinc/68/43/02/487684302.db2.gz FQYWPSSDWSBUJG-UHFFFAOYSA-N 1 2 223.272 0.585 20 0 BCADLO C[C@H]1CN(c2cccc[nH+]2)CCS1(=O)=O ZINC000097142353 487689782 /nfs/dbraw/zinc/68/97/82/487689782.db2.gz WQDVENJUBYMBNM-VIFPVBQESA-N 1 2 226.301 0.705 20 0 BCADLO CCc1cc(NC[C@@H]2CCCNC2=O)nc[nH+]1 ZINC000665740755 487689861 /nfs/dbraw/zinc/68/98/61/487689861.db2.gz IVENROSGOWVBME-VIFPVBQESA-N 1 2 234.303 0.977 20 0 BCADLO Cc1cc(NC[C@H]2CCCNC2=O)nc[nH+]1 ZINC000665740949 487692338 /nfs/dbraw/zinc/69/23/38/487692338.db2.gz VYGFVJGGEVBTCE-SECBINFHSA-N 1 2 220.276 0.723 20 0 BCADLO O=C([C@H]1CC12CCC2)N1CC[NH+](CCO)CC1 ZINC000675294010 487693428 /nfs/dbraw/zinc/69/34/28/487693428.db2.gz HFIYGOBXCNRPRC-LLVKDONJSA-N 1 2 238.331 0.313 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCOC1 ZINC000668401085 487694612 /nfs/dbraw/zinc/69/46/12/487694612.db2.gz OAQDHPYKBCPUBP-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCOC1 ZINC000668401085 487694616 /nfs/dbraw/zinc/69/46/16/487694616.db2.gz OAQDHPYKBCPUBP-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccon1 ZINC000088054023 487698117 /nfs/dbraw/zinc/69/81/17/487698117.db2.gz QTKKMRJVPOMGEB-MRVPVSSYSA-N 1 2 211.265 0.677 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528630484 262963438 /nfs/dbraw/zinc/96/34/38/262963438.db2.gz SBAKGISQTIWNSN-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528630484 262963440 /nfs/dbraw/zinc/96/34/40/262963440.db2.gz SBAKGISQTIWNSN-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCn1ccccc1=O ZINC000669703721 487700061 /nfs/dbraw/zinc/70/00/61/487700061.db2.gz KANAFKMTIUULPW-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCn1ccccc1=O ZINC000669703721 487700066 /nfs/dbraw/zinc/70/00/66/487700066.db2.gz KANAFKMTIUULPW-UHFFFAOYSA-N 1 2 249.314 0.059 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)[C@@H]1CCC[C@H]1O ZINC000671715942 487703883 /nfs/dbraw/zinc/70/38/83/487703883.db2.gz UIYRRHZNDUZTBG-NXEZZACHSA-N 1 2 237.307 0.353 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)[C@@H]1CCC[C@H]1O ZINC000671715942 487703888 /nfs/dbraw/zinc/70/38/88/487703888.db2.gz UIYRRHZNDUZTBG-NXEZZACHSA-N 1 2 237.307 0.353 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000683897680 487710035 /nfs/dbraw/zinc/71/00/35/487710035.db2.gz FKBMWCFUJPACOG-RYUDHWBXSA-N 1 2 248.330 0.663 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)C1(CO)CC1 ZINC000671727525 487710399 /nfs/dbraw/zinc/71/03/99/487710399.db2.gz PKIHBGRFMYXUBM-UHFFFAOYSA-N 1 2 225.248 0.070 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)C1(CO)CC1 ZINC000671727525 487710403 /nfs/dbraw/zinc/71/04/03/487710403.db2.gz PKIHBGRFMYXUBM-UHFFFAOYSA-N 1 2 225.248 0.070 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000671734614 487714065 /nfs/dbraw/zinc/71/40/65/487714065.db2.gz OEGBLEXRGLQRPA-ZCFIWIBFSA-N 1 2 212.253 0.246 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000671734614 487714072 /nfs/dbraw/zinc/71/40/72/487714072.db2.gz OEGBLEXRGLQRPA-ZCFIWIBFSA-N 1 2 212.253 0.246 20 0 BCADLO Cc1nc(N[C@@H]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000383401519 487719968 /nfs/dbraw/zinc/71/99/68/487719968.db2.gz OTOGZIFCFODICN-MRVPVSSYSA-N 1 2 237.307 1.132 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCOC(C)(C)C2)[nH+]1 ZINC000383401519 487719969 /nfs/dbraw/zinc/71/99/69/487719969.db2.gz OTOGZIFCFODICN-MRVPVSSYSA-N 1 2 237.307 1.132 20 0 BCADLO C[C@H]([C@H](C)NC(=O)[C@H]1C[C@@H]1C)[NH+]1CCOCC1 ZINC000681105185 487724848 /nfs/dbraw/zinc/72/48/48/487724848.db2.gz QHHWONYPMZPZNT-YFKTTZPYSA-N 1 2 240.347 0.868 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)[nH]1 ZINC000661596678 487726956 /nfs/dbraw/zinc/72/69/56/487726956.db2.gz KEXDXGVIYGFFNG-VHSXEESVSA-N 1 2 249.318 0.214 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)[nH]1 ZINC000661596678 487726959 /nfs/dbraw/zinc/72/69/59/487726959.db2.gz KEXDXGVIYGFFNG-VHSXEESVSA-N 1 2 249.318 0.214 20 0 BCADLO COCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665693673 487733298 /nfs/dbraw/zinc/73/32/98/487733298.db2.gz ZSNCQJWKXZMUDW-UHFFFAOYSA-N 1 2 224.264 0.364 20 0 BCADLO COCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665693673 487733300 /nfs/dbraw/zinc/73/33/00/487733300.db2.gz ZSNCQJWKXZMUDW-UHFFFAOYSA-N 1 2 224.264 0.364 20 0 BCADLO C[C@@H](CO)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665702136 487734328 /nfs/dbraw/zinc/73/43/28/487734328.db2.gz CDCCNLAQYARCHO-YUMQZZPRSA-N 1 2 238.291 0.710 20 0 BCADLO C[C@@H](CO)[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665702136 487734332 /nfs/dbraw/zinc/73/43/32/487734332.db2.gz CDCCNLAQYARCHO-YUMQZZPRSA-N 1 2 238.291 0.710 20 0 BCADLO c1nc(N[C@H]2CCOC2)c2c([nH+]1)NCCO2 ZINC000665708443 487735001 /nfs/dbraw/zinc/73/50/01/487735001.db2.gz DZSXQTPKVZOVTK-ZETCQYMHSA-N 1 2 222.248 0.482 20 0 BCADLO c1nc2c(c(N[C@H]3CCOC3)[nH+]1)OCCN2 ZINC000665708443 487735004 /nfs/dbraw/zinc/73/50/04/487735004.db2.gz DZSXQTPKVZOVTK-ZETCQYMHSA-N 1 2 222.248 0.482 20 0 BCADLO OCC(F)(F)CNc1nc[nH+]c2c1OCCN2 ZINC000665711736 487737488 /nfs/dbraw/zinc/73/74/88/487737488.db2.gz HFWISDHFCPFTDZ-UHFFFAOYSA-N 1 2 246.217 0.320 20 0 BCADLO OCC(F)(F)CNc1[nH+]cnc2c1OCCN2 ZINC000665711736 487737491 /nfs/dbraw/zinc/73/74/91/487737491.db2.gz HFWISDHFCPFTDZ-UHFFFAOYSA-N 1 2 246.217 0.320 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1nc[nH+]c2c1OCCN2 ZINC000665714141 487737836 /nfs/dbraw/zinc/73/78/36/487737836.db2.gz ZPCXWNGPHFQZBP-JGVFFNPUSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1[nH+]cnc2c1OCCN2 ZINC000665714141 487737846 /nfs/dbraw/zinc/73/78/46/487737846.db2.gz ZPCXWNGPHFQZBP-JGVFFNPUSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1O ZINC000678152673 487739988 /nfs/dbraw/zinc/73/99/88/487739988.db2.gz OHKCPKJMGPJTDG-ZJUUUORDSA-N 1 2 245.286 0.479 20 0 BCADLO CC[C@@H](CO)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665721210 487740167 /nfs/dbraw/zinc/74/01/67/487740167.db2.gz HRCWXLASMQVWHX-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO CC[C@@H](CO)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665721210 487740175 /nfs/dbraw/zinc/74/01/75/487740175.db2.gz HRCWXLASMQVWHX-QMMMGPOBSA-N 1 2 238.291 0.488 20 0 BCADLO O[C@H]1CCC[C@@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000660922834 487749781 /nfs/dbraw/zinc/74/97/81/487749781.db2.gz IUGJKVBZQYOUNQ-PWSUYJOCSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCC[C@@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000660922834 487749784 /nfs/dbraw/zinc/74/97/84/487749784.db2.gz IUGJKVBZQYOUNQ-PWSUYJOCSA-N 1 2 236.319 0.645 20 0 BCADLO Cc1c[nH]nc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000669604935 487756445 /nfs/dbraw/zinc/75/64/45/487756445.db2.gz IDRHAHYHQWCMME-UHFFFAOYSA-N 1 2 231.259 0.612 20 0 BCADLO C[C@H](C(=O)N1CC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000684086225 487760918 /nfs/dbraw/zinc/76/09/18/487760918.db2.gz VVKYIFBQXJGYPH-LLVKDONJSA-N 1 2 239.363 0.491 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCN(C)C1=O ZINC000681263769 487763575 /nfs/dbraw/zinc/76/35/75/487763575.db2.gz OQUSRYGFUYXCFN-VIFPVBQESA-N 1 2 233.271 0.229 20 0 BCADLO CCn1nccc1C(=O)NCc1[nH+]ccn1C ZINC000681272125 487765600 /nfs/dbraw/zinc/76/56/00/487765600.db2.gz CKXNRPCZCHYQNU-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO CCN(CCO)c1nc(C)[nH+]c(N(C)C)n1 ZINC000675720551 487769618 /nfs/dbraw/zinc/76/96/18/487769618.db2.gz XIFGRBLXQXTSIJ-UHFFFAOYSA-N 1 2 225.296 0.065 20 0 BCADLO CCN(CCO)c1nc(N(C)C)nc(C)[nH+]1 ZINC000675720551 487769623 /nfs/dbraw/zinc/76/96/23/487769623.db2.gz XIFGRBLXQXTSIJ-UHFFFAOYSA-N 1 2 225.296 0.065 20 0 BCADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1(C)COC1)C2 ZINC000364690012 487775125 /nfs/dbraw/zinc/77/51/25/487775125.db2.gz HSEYDBDCXHNRQF-JTQLQIEISA-N 1 2 249.314 0.659 20 0 BCADLO COC[C@@H]([NH2+]Cc1csnn1)[C@H]1CCCO1 ZINC000336775682 487776422 /nfs/dbraw/zinc/77/64/22/487776422.db2.gz ZQLFBXVBQKOBJE-NXEZZACHSA-N 1 2 243.332 0.822 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)NC1CCCC1 ZINC000047262873 487778192 /nfs/dbraw/zinc/77/81/92/487778192.db2.gz PHJUEFCSURGHDN-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)NC1CCCC1 ZINC000047262873 487778196 /nfs/dbraw/zinc/77/81/96/487778196.db2.gz PHJUEFCSURGHDN-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CC(=O)N1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000659829317 487777996 /nfs/dbraw/zinc/77/79/96/487777996.db2.gz PWJRJEMCDHJTCF-UHFFFAOYSA-N 1 2 248.330 0.758 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)C[C@@H]1CCOC1 ZINC000681358056 487783853 /nfs/dbraw/zinc/78/38/53/487783853.db2.gz MXDBZQXPMDTGHM-JTQLQIEISA-N 1 2 249.314 0.935 20 0 BCADLO C[C@H](COCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC000652905475 487791008 /nfs/dbraw/zinc/79/10/08/487791008.db2.gz TVQQZENVNUDACG-SNVBAGLBSA-N 1 2 237.303 0.814 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000666353159 487791872 /nfs/dbraw/zinc/79/18/72/487791872.db2.gz NQICMPABKKEULG-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnc2n1CCC2 ZINC000666351940 487791970 /nfs/dbraw/zinc/79/19/70/487791970.db2.gz MAFDYWACSMZFJM-UHFFFAOYSA-N 1 2 245.286 0.456 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC000675953277 487796282 /nfs/dbraw/zinc/79/62/82/487796282.db2.gz KGAFCYCZRIYHDM-LBPRGKRZSA-N 1 2 246.314 0.422 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000675953277 487796286 /nfs/dbraw/zinc/79/62/86/487796286.db2.gz KGAFCYCZRIYHDM-LBPRGKRZSA-N 1 2 246.314 0.422 20 0 BCADLO C[C@H]1CC[N@H+](CCS(C)(=O)=O)C[C@@H]1F ZINC000778237549 585728629 /nfs/dbraw/zinc/72/86/29/585728629.db2.gz QHWZNOQQWHHCIE-IUCAKERBSA-N 1 2 223.313 0.711 20 0 BCADLO C[C@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1F ZINC000778237549 585728630 /nfs/dbraw/zinc/72/86/30/585728630.db2.gz QHWZNOQQWHHCIE-IUCAKERBSA-N 1 2 223.313 0.711 20 0 BCADLO CCn1nccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000681474221 487801700 /nfs/dbraw/zinc/80/17/00/487801700.db2.gz OODLOEJQJIXTOC-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO CC[C@@](C)(CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000676082417 487811277 /nfs/dbraw/zinc/81/12/77/487811277.db2.gz MFHRDGXXGZOIIG-NSHDSACASA-N 1 2 239.323 0.819 20 0 BCADLO CC[C@@](C)(CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000676082417 487811282 /nfs/dbraw/zinc/81/12/82/487811282.db2.gz MFHRDGXXGZOIIG-NSHDSACASA-N 1 2 239.323 0.819 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](O)C1 ZINC000681554220 487812089 /nfs/dbraw/zinc/81/20/89/487812089.db2.gz NQZGAAWXBVRHCW-UWVGGRQHSA-N 1 2 235.287 0.039 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000672138173 487814330 /nfs/dbraw/zinc/81/43/30/487814330.db2.gz OSDRCNLCFZRJRO-KOLCDFICSA-N 1 2 219.288 0.974 20 0 BCADLO CC(C)(O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681552993 487814792 /nfs/dbraw/zinc/81/47/92/487814792.db2.gz HILFDPJFDOWSIY-VIFPVBQESA-N 1 2 237.303 0.333 20 0 BCADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681603379 487821321 /nfs/dbraw/zinc/82/13/21/487821321.db2.gz CNEDEBWWAUZFSQ-WPRPVWTQSA-N 1 2 248.290 0.978 20 0 BCADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681603379 487821324 /nfs/dbraw/zinc/82/13/24/487821324.db2.gz CNEDEBWWAUZFSQ-WPRPVWTQSA-N 1 2 248.290 0.978 20 0 BCADLO COC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000557826792 322943041 /nfs/dbraw/zinc/94/30/41/322943041.db2.gz NOOSXUIHILPLLP-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681628640 487825651 /nfs/dbraw/zinc/82/56/51/487825651.db2.gz KVQRPKHKXAZOJN-NSHDSACASA-N 1 2 232.291 0.757 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000681628640 487825658 /nfs/dbraw/zinc/82/56/58/487825658.db2.gz KVQRPKHKXAZOJN-NSHDSACASA-N 1 2 232.291 0.757 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676262420 487829773 /nfs/dbraw/zinc/82/97/73/487829773.db2.gz YSOTVMKNMAGTSS-MNOVXSKESA-N 1 2 242.319 0.191 20 0 BCADLO CC(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262420 487829778 /nfs/dbraw/zinc/82/97/78/487829778.db2.gz YSOTVMKNMAGTSS-MNOVXSKESA-N 1 2 242.319 0.191 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCCSCC1 ZINC000826142753 587350740 /nfs/dbraw/zinc/35/07/40/587350740.db2.gz JWQRBQVSXWEWHV-VIFPVBQESA-N 1 2 232.349 0.929 20 0 BCADLO C[C@@H]1[C@H](C)N(CC[S@](C)=O)CC[N@H+]1C ZINC000828127179 587420022 /nfs/dbraw/zinc/42/00/22/587420022.db2.gz FVZCAUICSSRXRM-BFVZDQMLSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1[C@H](C)N(CC[S@](C)=O)CC[N@@H+]1C ZINC000828127179 587420023 /nfs/dbraw/zinc/42/00/23/587420023.db2.gz FVZCAUICSSRXRM-BFVZDQMLSA-N 1 2 218.366 0.389 20 0 BCADLO Cc1nc(N(C)C)nc(NCC(C)(C)CO)[nH+]1 ZINC000676353298 487841409 /nfs/dbraw/zinc/84/14/09/487841409.db2.gz VYKWEYDDQVREEP-UHFFFAOYSA-N 1 2 239.323 0.676 20 0 BCADLO Cc1nc(NCC(C)(C)CO)nc(N(C)C)[nH+]1 ZINC000676353298 487841417 /nfs/dbraw/zinc/84/14/17/487841417.db2.gz VYKWEYDDQVREEP-UHFFFAOYSA-N 1 2 239.323 0.676 20 0 BCADLO OCC[C@H]1COCC[N@H+]1CCOC(F)F ZINC000851878242 588638875 /nfs/dbraw/zinc/63/88/75/588638875.db2.gz HOCXIUQHIHWFDI-QMMMGPOBSA-N 1 2 225.235 0.309 20 0 BCADLO OC[C@@]1(F)CC[N@H+](CCOC(F)F)C1 ZINC000852020172 588655652 /nfs/dbraw/zinc/65/56/52/588655652.db2.gz SBIPPQZKDBHYOK-MRVPVSSYSA-N 1 2 213.199 0.632 20 0 BCADLO OC[C@@]1(F)CC[N@@H+](CCOC(F)F)C1 ZINC000852020172 588655653 /nfs/dbraw/zinc/65/56/53/588655653.db2.gz SBIPPQZKDBHYOK-MRVPVSSYSA-N 1 2 213.199 0.632 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000681707404 487844488 /nfs/dbraw/zinc/84/44/88/487844488.db2.gz DQRWJRBTPRBECF-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000681707404 487844492 /nfs/dbraw/zinc/84/44/92/487844492.db2.gz DQRWJRBTPRBECF-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880296419 590991392 /nfs/dbraw/zinc/99/13/92/590991392.db2.gz BVAOENNIAWPEIO-ZCFIWIBFSA-N 1 2 200.217 0.302 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880296419 590991394 /nfs/dbraw/zinc/99/13/94/590991394.db2.gz BVAOENNIAWPEIO-ZCFIWIBFSA-N 1 2 200.217 0.302 20 0 BCADLO NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000078449748 487850849 /nfs/dbraw/zinc/85/08/49/487850849.db2.gz HCMHOEVHWOMEFL-UHFFFAOYSA-N 1 2 220.276 0.850 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681746712 487851639 /nfs/dbraw/zinc/85/16/39/487851639.db2.gz XLZGYYNSGGTKOX-KXUCPTDWSA-N 1 2 219.288 0.970 20 0 BCADLO COC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000558558439 322951937 /nfs/dbraw/zinc/95/19/37/322951937.db2.gz SDWXTGYQHUDUDN-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000674469633 487855188 /nfs/dbraw/zinc/85/51/88/487855188.db2.gz UBDZTOHSHHLZGA-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cc1nnnn1C1CC1 ZINC000674469633 487855194 /nfs/dbraw/zinc/85/51/94/487855194.db2.gz UBDZTOHSHHLZGA-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1C ZINC000666678654 487855364 /nfs/dbraw/zinc/85/53/64/487855364.db2.gz ZYOZEPRXDPTCHT-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1C ZINC000666678654 487855360 /nfs/dbraw/zinc/85/53/60/487855360.db2.gz ZYOZEPRXDPTCHT-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1O ZINC000395443250 487858490 /nfs/dbraw/zinc/85/84/90/487858490.db2.gz VRVNACADGXYMPC-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1O ZINC000395443250 487858485 /nfs/dbraw/zinc/85/84/85/487858485.db2.gz VRVNACADGXYMPC-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCCF ZINC000668170396 487861187 /nfs/dbraw/zinc/86/11/87/487861187.db2.gz NBNKIRRZNQSQFU-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)CCCF ZINC000668170396 487861191 /nfs/dbraw/zinc/86/11/91/487861191.db2.gz NBNKIRRZNQSQFU-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO C[C@@H](C[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC000564642484 322956676 /nfs/dbraw/zinc/95/66/76/322956676.db2.gz OKPMQHVFNPXONI-QWRGUYRKSA-N 1 2 237.303 0.957 20 0 BCADLO O[C@@H]1CC[N@H+](CCOCC(F)F)C[C@H]1F ZINC000934572404 641202642 /nfs/dbraw/zinc/20/26/42/641202642.db2.gz LBCMQKSODIZSHS-HTQZYQBOSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1F ZINC000934572404 641202652 /nfs/dbraw/zinc/20/26/52/641202652.db2.gz LBCMQKSODIZSHS-HTQZYQBOSA-N 1 2 227.226 0.673 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CCF)C2)n1 ZINC000661688405 487867850 /nfs/dbraw/zinc/86/78/50/487867850.db2.gz GSKZRJGBHUORQU-VIFPVBQESA-N 1 2 227.287 0.782 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@@H](CCF)C2)n1 ZINC000661688405 487867857 /nfs/dbraw/zinc/86/78/57/487867857.db2.gz GSKZRJGBHUORQU-VIFPVBQESA-N 1 2 227.287 0.782 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1ncc(F)cn1 ZINC000676563521 487874360 /nfs/dbraw/zinc/87/43/60/487874360.db2.gz XICBNDISGYJPMD-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1ncc(F)cn1 ZINC000676563521 487874365 /nfs/dbraw/zinc/87/43/65/487874365.db2.gz XICBNDISGYJPMD-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CC(C)n1c[nH+]cc1CN=c1nc[nH]n1C ZINC000569448983 322966348 /nfs/dbraw/zinc/96/63/48/322966348.db2.gz HCDBBLCJDMXOOY-UHFFFAOYSA-N 1 2 220.280 0.627 20 0 BCADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(N)=O ZINC000403802482 487891746 /nfs/dbraw/zinc/89/17/46/487891746.db2.gz IOGMNUNCITYWEW-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(N)=O ZINC000403802482 487891750 /nfs/dbraw/zinc/89/17/50/487891750.db2.gz IOGMNUNCITYWEW-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000670273413 487896497 /nfs/dbraw/zinc/89/64/97/487896497.db2.gz REOCLEZNULFJJE-LBPRGKRZSA-N 1 2 241.310 0.889 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000670273413 487896502 /nfs/dbraw/zinc/89/65/02/487896502.db2.gz REOCLEZNULFJJE-LBPRGKRZSA-N 1 2 241.310 0.889 20 0 BCADLO CCc1cc(N[C@H]2CCC(=O)N(C)C2=O)nc[nH+]1 ZINC000090031421 487897157 /nfs/dbraw/zinc/89/71/57/487897157.db2.gz UUPQJWGXWQOOHC-VIFPVBQESA-N 1 2 248.286 0.598 20 0 BCADLO CCc1nocc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000668535121 487898067 /nfs/dbraw/zinc/89/80/67/487898067.db2.gz CHEADOSAYSFJTI-UHFFFAOYSA-N 1 2 234.259 0.933 20 0 BCADLO FC1(C[NH+]2CCN([C@H]3CCOC3)CC2)CC1 ZINC000668536392 487899675 /nfs/dbraw/zinc/89/96/75/487899675.db2.gz WKMZCSWRNSHEHV-NSHDSACASA-N 1 2 228.311 0.895 20 0 BCADLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)n1cccn1 ZINC000668536848 487901274 /nfs/dbraw/zinc/90/12/74/487901274.db2.gz ZCOVQXVVAQIWAK-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO CCc1cc(C(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000090127074 487905964 /nfs/dbraw/zinc/90/59/64/487905964.db2.gz BZXWXZSWEONYTL-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CCc1noc(C[N@H+](CCO)CCCOC)n1 ZINC000682089307 487907153 /nfs/dbraw/zinc/90/71/53/487907153.db2.gz MLOBIMNHSCGKFZ-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCc1noc(C[N@@H+](CCO)CCCOC)n1 ZINC000682089307 487907156 /nfs/dbraw/zinc/90/71/56/487907156.db2.gz MLOBIMNHSCGKFZ-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080528894 487909096 /nfs/dbraw/zinc/90/90/96/487909096.db2.gz PFTTZFGBWSUHBP-UHFFFAOYSA-N 1 2 203.267 0.191 20 0 BCADLO O=c1c2c([nH]n1-c1ccccc1)CC[NH2+]C2 ZINC000004203007 487909444 /nfs/dbraw/zinc/90/94/44/487909444.db2.gz DXEXFLYIMCCQPI-SNVBAGLBSA-N 1 2 215.256 0.999 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668543597 487916516 /nfs/dbraw/zinc/91/65/16/487916516.db2.gz XNNLKJWWNQAANS-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668543597 487916520 /nfs/dbraw/zinc/91/65/20/487916520.db2.gz XNNLKJWWNQAANS-JQWIXIFHSA-N 1 2 248.330 0.819 20 0 BCADLO CCC[C@@H](O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000676752549 487918580 /nfs/dbraw/zinc/91/85/80/487918580.db2.gz XOWTVOSVQSUBHF-LLVKDONJSA-N 1 2 237.303 0.818 20 0 BCADLO CN(C)c1[nH+]cccc1NC(=O)C[C@@H]1CC(=O)N1 ZINC000667000434 487926406 /nfs/dbraw/zinc/92/64/06/487926406.db2.gz AUURPRFFUBZAPP-QMMMGPOBSA-N 1 2 248.286 0.365 20 0 BCADLO C[C@H]1C[C@@H]1C[N@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558227 487930914 /nfs/dbraw/zinc/93/09/14/487930914.db2.gz ZTWFIEWJFZTSPR-NWDGAFQWSA-N 1 2 241.379 0.594 20 0 BCADLO C[C@H]1C[C@@H]1C[N@@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558227 487930925 /nfs/dbraw/zinc/93/09/25/487930925.db2.gz ZTWFIEWJFZTSPR-NWDGAFQWSA-N 1 2 241.379 0.594 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CO[C@H](C)C1)CC2 ZINC000682233148 487932632 /nfs/dbraw/zinc/93/26/32/487932632.db2.gz YTCMABFAMHUFAJ-GHMZBOCLSA-N 1 2 249.314 0.959 20 0 BCADLO c1[nH]nnc1CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000660323969 487938000 /nfs/dbraw/zinc/93/80/00/487938000.db2.gz XFTDJSCYFVYDQR-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO c1[nH]nnc1CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000660323969 487938002 /nfs/dbraw/zinc/93/80/02/487938002.db2.gz XFTDJSCYFVYDQR-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO c1n[nH]nc1CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000660323969 487938003 /nfs/dbraw/zinc/93/80/03/487938003.db2.gz XFTDJSCYFVYDQR-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO c1n[nH]nc1CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000660323969 487938006 /nfs/dbraw/zinc/93/80/06/487938006.db2.gz XFTDJSCYFVYDQR-LLVKDONJSA-N 1 2 222.292 0.458 20 0 BCADLO CC[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000682365093 487940047 /nfs/dbraw/zinc/94/00/47/487940047.db2.gz XWZAETFAGHAMPG-GFCCVEGCSA-N 1 2 237.303 0.911 20 0 BCADLO CCc1noc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000682374071 487943832 /nfs/dbraw/zinc/94/38/32/487943832.db2.gz ZTLKNSHNQDAQJJ-DTWKUNHWSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1noc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000682374071 487943835 /nfs/dbraw/zinc/94/38/35/487943835.db2.gz ZTLKNSHNQDAQJJ-DTWKUNHWSA-N 1 2 243.307 0.196 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCN(C)C1=O ZINC000681253697 487951578 /nfs/dbraw/zinc/95/15/78/487951578.db2.gz SDLVGQBBCMHEOJ-MRVPVSSYSA-N 1 2 249.270 0.507 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994762 487952292 /nfs/dbraw/zinc/95/22/92/487952292.db2.gz KLGAAUBZBYTVEJ-BDAKNGLRSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994762 487952299 /nfs/dbraw/zinc/95/22/99/487952299.db2.gz KLGAAUBZBYTVEJ-BDAKNGLRSA-N 1 2 240.307 0.318 20 0 BCADLO Cc1nc(C(=O)NCc2[nH+]ccn2C)co1 ZINC000669949477 487956796 /nfs/dbraw/zinc/95/67/96/487956796.db2.gz MIYQUMQAGPHZPN-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CC(C)(C)[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000566230854 322976747 /nfs/dbraw/zinc/97/67/47/322976747.db2.gz FIUXLRIFVVCCII-HTQZYQBOSA-N 1 2 225.279 0.999 20 0 BCADLO COCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000561057664 322994607 /nfs/dbraw/zinc/99/46/07/322994607.db2.gz SXBUREABKRNIJG-VIFPVBQESA-N 1 2 223.276 0.208 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCSC1 ZINC000561075155 322995109 /nfs/dbraw/zinc/99/51/09/322995109.db2.gz OLNDBVNAXBEADY-VIFPVBQESA-N 1 2 239.344 0.974 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000561309413 322999196 /nfs/dbraw/zinc/99/91/96/322999196.db2.gz IMBGPKNQIJSTOY-LLVKDONJSA-N 1 2 242.363 0.851 20 0 BCADLO Cc1ccnc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000566735987 323012525 /nfs/dbraw/zinc/01/25/25/323012525.db2.gz RTBDTQAUPSKBPG-UHFFFAOYSA-N 1 2 220.276 0.092 20 0 BCADLO C[C@@H]1OCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000562276969 323014624 /nfs/dbraw/zinc/01/46/24/323014624.db2.gz ZHQGYGFMXOBHSU-UWVGGRQHSA-N 1 2 223.276 0.519 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)Cn1cc[nH+]c1 ZINC000562276971 323014664 /nfs/dbraw/zinc/01/46/64/323014664.db2.gz ZHQGYGFMXOBHSU-ZJUUUORDSA-N 1 2 223.276 0.519 20 0 BCADLO CN(C[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC000562273637 323014696 /nfs/dbraw/zinc/01/46/96/323014696.db2.gz QHLNWRMFDMOZLH-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)NC)CCO1 ZINC000132434307 323015213 /nfs/dbraw/zinc/01/52/13/323015213.db2.gz PKYXIMQVFZEDTK-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)NC)CCO1 ZINC000132434307 323015214 /nfs/dbraw/zinc/01/52/14/323015214.db2.gz PKYXIMQVFZEDTK-VIFPVBQESA-N 1 2 200.282 0.233 20 0 BCADLO CCn1nncc1CNc1cc[nH+]cc1F ZINC000562780387 323030283 /nfs/dbraw/zinc/03/02/83/323030283.db2.gz QZLWCDXPWDHTFT-UHFFFAOYSA-N 1 2 221.239 0.866 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(N2CCNC2=O)C1 ZINC000565226538 323034510 /nfs/dbraw/zinc/03/45/10/323034510.db2.gz NGFGYGSKGMQUEW-UHFFFAOYSA-N 1 2 247.302 0.307 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000141029065 323035060 /nfs/dbraw/zinc/03/50/60/323035060.db2.gz QSQRINRAYZSQJZ-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO CC(C)(C[NH+]1CCCC1)NCc1n[nH]c(=O)[nH]1 ZINC000569781803 323040559 /nfs/dbraw/zinc/04/05/59/323040559.db2.gz VOAWNFRECLEZRP-UHFFFAOYSA-N 1 2 239.323 0.474 20 0 BCADLO CO[C@@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)C[C@H]1O ZINC000569917863 323044262 /nfs/dbraw/zinc/04/42/62/323044262.db2.gz WEUJHUXTMBOGBD-NXEZZACHSA-N 1 2 248.286 0.462 20 0 BCADLO CCc1nnc([C@@H](C)NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000569948043 323045649 /nfs/dbraw/zinc/04/56/49/323045649.db2.gz NSHHFQAWFRQGMD-MRVPVSSYSA-N 1 2 248.290 0.441 20 0 BCADLO CCc1nc([C@@H](C)NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000569948043 323045650 /nfs/dbraw/zinc/04/56/50/323045650.db2.gz NSHHFQAWFRQGMD-MRVPVSSYSA-N 1 2 248.290 0.441 20 0 BCADLO CC[C@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570284575 323055100 /nfs/dbraw/zinc/05/51/00/323055100.db2.gz LMHHQDWTMRCAJO-VHSXEESVSA-N 1 2 225.292 0.721 20 0 BCADLO C[C@H](CC(=O)N1CC(=O)N(C)C1)n1cc[nH+]c1 ZINC000570284456 323055107 /nfs/dbraw/zinc/05/51/07/323055107.db2.gz GWKXPYMYARCCKL-SECBINFHSA-N 1 2 236.275 0.092 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2ncnc2C1 ZINC000570400452 323058532 /nfs/dbraw/zinc/05/85/32/323058532.db2.gz YQLXVJWKOJXNPB-MNOVXSKESA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCn2ncnc2C1 ZINC000570400452 323058533 /nfs/dbraw/zinc/05/85/33/323058533.db2.gz YQLXVJWKOJXNPB-MNOVXSKESA-N 1 2 236.319 0.645 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cnns1 ZINC000570423751 323059173 /nfs/dbraw/zinc/05/91/73/323059173.db2.gz KEXPLNAZXDWCTF-UHFFFAOYSA-N 1 2 223.261 0.453 20 0 BCADLO O=C(Nc1ccc2nncn2c1)[C@@H]1CSC[NH2+]1 ZINC000570515528 323061427 /nfs/dbraw/zinc/06/14/27/323061427.db2.gz ZNMRQTUCSYJNNI-QMMMGPOBSA-N 1 2 249.299 0.330 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO1 ZINC000572660559 323073278 /nfs/dbraw/zinc/07/32/78/323073278.db2.gz KYCJOLJLTPHACE-MRVPVSSYSA-N 1 2 209.249 0.752 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO1 ZINC000572660559 323073279 /nfs/dbraw/zinc/07/32/79/323073279.db2.gz KYCJOLJLTPHACE-MRVPVSSYSA-N 1 2 209.249 0.752 20 0 BCADLO Cc1nnc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)s1 ZINC000518765173 323078509 /nfs/dbraw/zinc/07/85/09/323078509.db2.gz NOYWDYNKJVYBIX-ZCFIWIBFSA-N 1 2 240.332 0.715 20 0 BCADLO CCn1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)n1 ZINC000562997529 323078819 /nfs/dbraw/zinc/07/88/19/323078819.db2.gz OROKLIXFHARAPD-VIFPVBQESA-N 1 2 245.348 0.426 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)no1 ZINC000221426191 323081960 /nfs/dbraw/zinc/08/19/60/323081960.db2.gz WMFSZVZKZAODTK-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)no1 ZINC000221426191 323081961 /nfs/dbraw/zinc/08/19/61/323081961.db2.gz WMFSZVZKZAODTK-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO COCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000563060259 323083689 /nfs/dbraw/zinc/08/36/89/323083689.db2.gz BJJIOVPUYXCPNM-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO COCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000563060259 323083690 /nfs/dbraw/zinc/08/36/90/323083690.db2.gz BJJIOVPUYXCPNM-UHFFFAOYSA-N 1 2 224.308 0.771 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313029189 323091607 /nfs/dbraw/zinc/09/16/07/323091607.db2.gz HRXRQVAOHGPJJD-NXEZZACHSA-N 1 2 227.304 0.953 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCc2cn[nH]n2)C1 ZINC000563119590 323094118 /nfs/dbraw/zinc/09/41/18/323094118.db2.gz ZZMPLPMQAIUHQG-VIFPVBQESA-N 1 2 228.321 0.369 20 0 BCADLO C[N@H+]1CCO[C@H](CSCc2cn[nH]n2)C1 ZINC000563119590 323094119 /nfs/dbraw/zinc/09/41/19/323094119.db2.gz ZZMPLPMQAIUHQG-VIFPVBQESA-N 1 2 228.321 0.369 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCc2c[nH]nn2)C1 ZINC000563119590 323094120 /nfs/dbraw/zinc/09/41/20/323094120.db2.gz ZZMPLPMQAIUHQG-VIFPVBQESA-N 1 2 228.321 0.369 20 0 BCADLO C[N@H+]1CCO[C@H](CSCc2c[nH]nn2)C1 ZINC000563119590 323094121 /nfs/dbraw/zinc/09/41/21/323094121.db2.gz ZZMPLPMQAIUHQG-VIFPVBQESA-N 1 2 228.321 0.369 20 0 BCADLO C[C@H](CC(=O)N1C[C@@H](O)C[C@H]1C)n1cc[nH+]c1 ZINC000563255850 323106980 /nfs/dbraw/zinc/10/69/80/323106980.db2.gz NUBYJBLXBJCUIA-MXWKQRLJSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1cnc(C[N@H+](C)CCN2CCCC2=O)nc1 ZINC000534123500 323113964 /nfs/dbraw/zinc/11/39/64/323113964.db2.gz FLBYKHIMAQRGFV-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCN2CCCC2=O)nc1 ZINC000534123500 323113965 /nfs/dbraw/zinc/11/39/65/323113965.db2.gz FLBYKHIMAQRGFV-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000534311598 323116273 /nfs/dbraw/zinc/11/62/73/323116273.db2.gz JDAKEEMNUWNUGR-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000534311598 323116274 /nfs/dbraw/zinc/11/62/74/323116274.db2.gz JDAKEEMNUWNUGR-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)CCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000534314864 323116304 /nfs/dbraw/zinc/11/63/04/323116304.db2.gz IEVVWXIAPMIWJZ-LBPRGKRZSA-N 1 2 243.303 0.871 20 0 BCADLO COC(=O)[C@@]1([NH2+]C[C@H]2CCCOC2)CCOC1 ZINC000534315042 323116310 /nfs/dbraw/zinc/11/63/10/323116310.db2.gz AOEYSBAGOISEHP-ZYHUDNBSSA-N 1 2 243.303 0.335 20 0 BCADLO CCOC(=O)CC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000534315001 323116329 /nfs/dbraw/zinc/11/63/29/323116329.db2.gz MPELFGUSEQOALM-LBPRGKRZSA-N 1 2 243.303 0.871 20 0 BCADLO Cc1cc(NC(=O)N2CCOCC2)c(C)c[nH+]1 ZINC000534324048 323116509 /nfs/dbraw/zinc/11/65/09/323116509.db2.gz IAKIJLBRMYXYNH-UHFFFAOYSA-N 1 2 235.287 0.984 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC[C@]23CCNC3=O)n1 ZINC000563364120 323121072 /nfs/dbraw/zinc/12/10/72/323121072.db2.gz KSQNFTHSSOTVTH-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC[C@]23CCNC3=O)n1 ZINC000563364120 323121073 /nfs/dbraw/zinc/12/10/73/323121073.db2.gz KSQNFTHSSOTVTH-CYBMUJFWSA-N 1 2 246.314 0.640 20 0 BCADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000563367849 323121594 /nfs/dbraw/zinc/12/15/94/323121594.db2.gz SFTUBFYNUCVEPX-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000563367849 323121595 /nfs/dbraw/zinc/12/15/95/323121595.db2.gz SFTUBFYNUCVEPX-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(O)C1CC1 ZINC000563409632 323124458 /nfs/dbraw/zinc/12/44/58/323124458.db2.gz YZTUCGGTEGBVPD-LBPRGKRZSA-N 1 2 237.303 0.680 20 0 BCADLO Cn1cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000152111365 323128002 /nfs/dbraw/zinc/12/80/02/323128002.db2.gz JFAABMUOOJUTFV-VXGBXAGGSA-N 1 2 249.314 0.180 20 0 BCADLO Cn1cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000152111365 323128003 /nfs/dbraw/zinc/12/80/03/323128003.db2.gz JFAABMUOOJUTFV-VXGBXAGGSA-N 1 2 249.314 0.180 20 0 BCADLO COC[C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000571078202 323134871 /nfs/dbraw/zinc/13/48/71/323134871.db2.gz IUALTMKAIJMHEG-VXNVDRBHSA-N 1 2 243.332 0.542 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000571448082 323145131 /nfs/dbraw/zinc/14/51/31/323145131.db2.gz QKBBYUAGSVZITE-SNVBAGLBSA-N 1 2 238.287 0.634 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000571448082 323145132 /nfs/dbraw/zinc/14/51/32/323145132.db2.gz QKBBYUAGSVZITE-SNVBAGLBSA-N 1 2 238.287 0.634 20 0 BCADLO COC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000571629337 323149949 /nfs/dbraw/zinc/14/99/49/323149949.db2.gz YLEHINSHUMGMLR-SECBINFHSA-N 1 2 225.292 0.456 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111694700 323162924 /nfs/dbraw/zinc/16/29/24/323162924.db2.gz RDJAXEWXUIUTLV-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111694700 323162925 /nfs/dbraw/zinc/16/29/25/323162925.db2.gz RDJAXEWXUIUTLV-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO COC(=O)[C@@H](C)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313781 323170306 /nfs/dbraw/zinc/17/03/06/323170306.db2.gz OJCQWTVCLYTTCI-NXEZZACHSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313781 323170307 /nfs/dbraw/zinc/17/03/07/323170307.db2.gz OJCQWTVCLYTTCI-NXEZZACHSA-N 1 2 237.303 0.771 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313781 323170308 /nfs/dbraw/zinc/17/03/08/323170308.db2.gz OJCQWTVCLYTTCI-NXEZZACHSA-N 1 2 237.303 0.771 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2ncc(C)cn2)c[nH+]1 ZINC000535447562 323172926 /nfs/dbraw/zinc/17/29/26/323172926.db2.gz UBJZPYXALCNIIL-UHFFFAOYSA-N 1 2 245.286 0.789 20 0 BCADLO C[C@]1(O)CCC[N@H+](Cc2csnn2)C1 ZINC000129554889 323174691 /nfs/dbraw/zinc/17/46/91/323174691.db2.gz BYCMHUAPIAINLZ-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO C[C@]1(O)CCC[N@@H+](Cc2csnn2)C1 ZINC000129554889 323174692 /nfs/dbraw/zinc/17/46/92/323174692.db2.gz BYCMHUAPIAINLZ-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000563739061 323176477 /nfs/dbraw/zinc/17/64/77/323176477.db2.gz QPHBIRCVVQPJPZ-VIFPVBQESA-N 1 2 249.314 0.861 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000563739061 323176478 /nfs/dbraw/zinc/17/64/78/323176478.db2.gz QPHBIRCVVQPJPZ-VIFPVBQESA-N 1 2 249.314 0.861 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CSC)C(C)C ZINC000308959436 323182456 /nfs/dbraw/zinc/18/24/56/323182456.db2.gz RNYKLGCLUHLKQJ-RKDXNWHRSA-N 1 2 235.349 0.498 20 0 BCADLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)nnn1C ZINC000535748525 323190300 /nfs/dbraw/zinc/19/03/00/323190300.db2.gz JZALQILYRBYXRS-UHFFFAOYSA-N 1 2 245.286 0.810 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535749175 323190365 /nfs/dbraw/zinc/19/03/65/323190365.db2.gz PFULTVLICZHZAP-VIFPVBQESA-N 1 2 235.287 0.583 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2)c(C)c[nH+]1 ZINC000535749252 323190408 /nfs/dbraw/zinc/19/04/08/323190408.db2.gz YJZUYUFRZYATQI-JTQLQIEISA-N 1 2 247.298 0.537 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCO[C@@H](CO)C1 ZINC000528391603 323196692 /nfs/dbraw/zinc/19/66/92/323196692.db2.gz AFJCRNHPROLTJN-YPNJUMGQSA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCO[C@@H](CO)C1 ZINC000528391603 323196693 /nfs/dbraw/zinc/19/66/93/323196693.db2.gz AFJCRNHPROLTJN-YPNJUMGQSA-N 1 2 205.685 0.822 20 0 BCADLO Cc1nnc([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000532103695 323206585 /nfs/dbraw/zinc/20/65/85/323206585.db2.gz GFROQVAKFLQZIP-YFKPBYRVSA-N 1 2 235.247 0.901 20 0 BCADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCO1 ZINC000532287108 323213418 /nfs/dbraw/zinc/21/34/18/323213418.db2.gz OWVXOMCGVVDWFE-LBPRGKRZSA-N 1 2 235.287 0.836 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245395 323244643 /nfs/dbraw/zinc/24/46/43/323244643.db2.gz YDCMSHBXBXGFSE-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245295 323245344 /nfs/dbraw/zinc/24/53/44/323245344.db2.gz NODVTLNSBMQCLD-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1O ZINC000309375999 323349368 /nfs/dbraw/zinc/34/93/68/323349368.db2.gz QFFHKQMGNFXNBI-NXEZZACHSA-N 1 2 223.276 0.303 20 0 BCADLO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnnn1C ZINC000530336210 323377964 /nfs/dbraw/zinc/37/79/64/323377964.db2.gz SAGLXXJTINTJHJ-QMMMGPOBSA-N 1 2 249.322 0.530 20 0 BCADLO CN(C(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000572148323 323546671 /nfs/dbraw/zinc/54/66/71/323546671.db2.gz UMRBIOQRIJRCBM-MRVPVSSYSA-N 1 2 211.290 0.764 20 0 BCADLO COc1ccc[nH+]c1N1CCO[C@@H]([C@H](C)O)C1 ZINC000528035714 323744074 /nfs/dbraw/zinc/74/40/74/323744074.db2.gz JQLDRRXTRCIIIY-GXSJLCMTSA-N 1 2 238.287 0.676 20 0 BCADLO COCC(C)(C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653540288 487961507 /nfs/dbraw/zinc/96/15/07/487961507.db2.gz BGIIINZSPMDYGT-UHFFFAOYSA-N 1 2 241.339 0.943 20 0 BCADLO CCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000058216713 323981041 /nfs/dbraw/zinc/98/10/41/323981041.db2.gz XEWQFIOQQINWHC-UHFFFAOYSA-N 1 2 229.324 0.370 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000537048711 324001185 /nfs/dbraw/zinc/00/11/85/324001185.db2.gz YSCYNNUQHHJUFK-VIFPVBQESA-N 1 2 237.307 0.179 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000537048711 324001190 /nfs/dbraw/zinc/00/11/90/324001190.db2.gz YSCYNNUQHHJUFK-VIFPVBQESA-N 1 2 237.307 0.179 20 0 BCADLO CN1CC[N@H+](CCOCC2CC2)CC1=O ZINC000121884668 324023826 /nfs/dbraw/zinc/02/38/26/324023826.db2.gz RGEHHSPNEMEUTQ-UHFFFAOYSA-N 1 2 212.293 0.187 20 0 BCADLO CN1CC[N@@H+](CCOCC2CC2)CC1=O ZINC000121884668 324023832 /nfs/dbraw/zinc/02/38/32/324023832.db2.gz RGEHHSPNEMEUTQ-UHFFFAOYSA-N 1 2 212.293 0.187 20 0 BCADLO C[C@@H](O)CN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667248676 487962131 /nfs/dbraw/zinc/96/21/31/487962131.db2.gz DBAVLXMWZXKSQA-RKDXNWHRSA-N 1 2 240.307 0.503 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)OCC ZINC000152531602 324177334 /nfs/dbraw/zinc/17/73/34/324177334.db2.gz VGCTZJBGVUTRQN-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)OCC ZINC000152531602 324177340 /nfs/dbraw/zinc/17/73/40/324177340.db2.gz VGCTZJBGVUTRQN-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC000523440225 324207168 /nfs/dbraw/zinc/20/71/68/324207168.db2.gz ZCRDQYHNEZBPBA-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC000523440225 324207170 /nfs/dbraw/zinc/20/71/70/324207170.db2.gz ZCRDQYHNEZBPBA-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO O=C(COCC(F)F)N1CCn2c[nH+]cc2C1 ZINC000529402105 324287590 /nfs/dbraw/zinc/28/75/90/324287590.db2.gz HGTMCKFIZHZMBH-UHFFFAOYSA-N 1 2 245.229 0.507 20 0 BCADLO CCn1nncc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000529561040 324342367 /nfs/dbraw/zinc/34/23/67/324342367.db2.gz QXSSLLDCSXDODC-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO Cn1c[nH+]c(CN2CCc3cnc(N)nc3C2)c1 ZINC000623292421 487964581 /nfs/dbraw/zinc/96/45/81/487964581.db2.gz NEPHLLSSUYIDFN-UHFFFAOYSA-N 1 2 244.302 0.351 20 0 BCADLO CN(C)[C@@H](C(=O)NCCCF)c1c[nH+]cn1C ZINC000538367297 324673782 /nfs/dbraw/zinc/67/37/82/324673782.db2.gz FOVUYEQGEZUDAB-SNVBAGLBSA-N 1 2 242.298 0.499 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC1 ZINC000682443959 487965966 /nfs/dbraw/zinc/96/59/66/487965966.db2.gz LQFGHQUXHCOHDW-SECBINFHSA-N 1 2 205.261 0.678 20 0 BCADLO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541685652 324972694 /nfs/dbraw/zinc/97/26/94/324972694.db2.gz SKBWCQLYZCCZAU-HTQZYQBOSA-N 1 2 240.307 0.943 20 0 BCADLO Cn1nccc1CCC(=O)NCCn1cc[nH+]c1 ZINC000542104541 325009263 /nfs/dbraw/zinc/00/92/63/325009263.db2.gz ZGNQMPKURRCHDD-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000542611870 325037521 /nfs/dbraw/zinc/03/75/21/325037521.db2.gz LVISEZYAKNQYQS-YUMQZZPRSA-N 1 2 240.307 0.943 20 0 BCADLO c1cn2c([nH+]1)CN(c1cncc3nncn31)CC2 ZINC000542976004 325065717 /nfs/dbraw/zinc/06/57/17/325065717.db2.gz XACFTVCYXHNRDC-UHFFFAOYSA-N 1 2 241.258 0.341 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000542990439 325066550 /nfs/dbraw/zinc/06/65/50/325066550.db2.gz JKNQUILZXGUDAD-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1cnnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000542990439 325066554 /nfs/dbraw/zinc/06/65/54/325066554.db2.gz JKNQUILZXGUDAD-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccc[nH]1 ZINC000544364551 325139203 /nfs/dbraw/zinc/13/92/03/325139203.db2.gz COMSHDFXGCWMHF-UHFFFAOYSA-N 1 2 218.260 0.721 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000544775257 325158012 /nfs/dbraw/zinc/15/80/12/325158012.db2.gz QLJDAHTVVBQKDF-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO COCCc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000545789832 325237972 /nfs/dbraw/zinc/23/79/72/325237972.db2.gz ABPYZNPTLMXMKY-SECBINFHSA-N 1 2 240.307 0.177 20 0 BCADLO COCCc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000545789832 325237975 /nfs/dbraw/zinc/23/79/75/325237975.db2.gz ABPYZNPTLMXMKY-SECBINFHSA-N 1 2 240.307 0.177 20 0 BCADLO COC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546681945 325300539 /nfs/dbraw/zinc/30/05/39/325300539.db2.gz GTQMCZLFETYOLU-UHFFFAOYSA-N 1 2 243.303 0.431 20 0 BCADLO COC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546681945 325300540 /nfs/dbraw/zinc/30/05/40/325300540.db2.gz GTQMCZLFETYOLU-UHFFFAOYSA-N 1 2 243.303 0.431 20 0 BCADLO CC(C)CNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133916321 325329752 /nfs/dbraw/zinc/32/97/52/325329752.db2.gz IFUPKEJUTKAQIK-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133916321 325329755 /nfs/dbraw/zinc/32/97/55/325329755.db2.gz IFUPKEJUTKAQIK-UHFFFAOYSA-N 1 2 243.351 0.344 20 0 BCADLO CCCNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133995214 325336295 /nfs/dbraw/zinc/33/62/95/325336295.db2.gz RHXRLJOVFBIEAQ-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CCCNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133995214 325336296 /nfs/dbraw/zinc/33/62/96/325336296.db2.gz RHXRLJOVFBIEAQ-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CO[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539726 325371715 /nfs/dbraw/zinc/37/17/15/325371715.db2.gz UIYZCKOPUMALQR-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO CC(C)(CO)C(=O)NCCCn1cc[nH+]c1 ZINC000547603896 325374107 /nfs/dbraw/zinc/37/41/07/325374107.db2.gz SGBXGQNWWKMCSC-UHFFFAOYSA-N 1 2 225.292 0.408 20 0 BCADLO CCn1cc(CC(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000547708992 325386296 /nfs/dbraw/zinc/38/62/96/325386296.db2.gz PFDORSTYGWBHTQ-UHFFFAOYSA-N 1 2 247.302 0.528 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOC[C@H]1C1CC1 ZINC000547865127 325409968 /nfs/dbraw/zinc/40/99/68/325409968.db2.gz GIZGKOGSDIECMJ-LBPRGKRZSA-N 1 2 249.314 0.600 20 0 BCADLO Cc1ccc(NC(=O)CN2CN=NC2=O)c(C)[nH+]1 ZINC000548371331 325451178 /nfs/dbraw/zinc/45/11/78/325451178.db2.gz XDJJEGNSTPAOEF-UHFFFAOYSA-N 1 2 247.258 0.634 20 0 BCADLO CN(C[C@H]1CCC[C@H]1O)C(=O)Cn1cc[nH+]c1 ZINC000549708827 325513031 /nfs/dbraw/zinc/51/30/31/325513031.db2.gz CUJUKQIWCLYCEU-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1C ZINC000246076742 325540480 /nfs/dbraw/zinc/54/04/80/325540480.db2.gz DUHMIHJDBOWILX-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC(=O)c1cccs1 ZINC000551760896 325568146 /nfs/dbraw/zinc/56/81/46/325568146.db2.gz DAANNMUSFBGHNG-UHFFFAOYSA-N 1 2 249.295 0.944 20 0 BCADLO CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000554338849 325714858 /nfs/dbraw/zinc/71/48/58/325714858.db2.gz MBXNPTOPUOAUPL-LLVKDONJSA-N 1 2 237.303 0.767 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC(=O)C1 ZINC000554506213 325722236 /nfs/dbraw/zinc/72/22/36/325722236.db2.gz LMHURZHOFXBMLF-UHFFFAOYSA-N 1 2 207.233 0.347 20 0 BCADLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1=O ZINC000564961555 325835968 /nfs/dbraw/zinc/83/59/68/325835968.db2.gz SMRRZMQUCPWDFJ-SECBINFHSA-N 1 2 236.319 0.899 20 0 BCADLO C[C@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000565108664 325856605 /nfs/dbraw/zinc/85/66/05/325856605.db2.gz JBBKEONMJVJSEM-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO CNC(=O)CCSCc1c[nH+]cn1C ZINC000565309115 325894799 /nfs/dbraw/zinc/89/47/99/325894799.db2.gz XAHHDZRHKXOQPZ-UHFFFAOYSA-N 1 2 213.306 0.789 20 0 BCADLO CCC1(CO)CC[NH+](Cc2nncn2C)CC1 ZINC000305705812 325925626 /nfs/dbraw/zinc/92/56/26/325925626.db2.gz DVQAIXSUXKZLPZ-UHFFFAOYSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@](C)(CO)C(=O)NCCc1c[nH+]cn1C ZINC000565608052 325934579 /nfs/dbraw/zinc/93/45/79/325934579.db2.gz LFTOBZCCMMAEHN-GFCCVEGCSA-N 1 2 239.319 0.487 20 0 BCADLO C[C@H](O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000565870801 325967368 /nfs/dbraw/zinc/96/73/68/325967368.db2.gz QXXVWXKWGYJFHQ-JTQLQIEISA-N 1 2 240.307 0.343 20 0 BCADLO CCN(C(=O)[C@@H]1CSC[NH2+]1)c1cnn(C)c1 ZINC000655522318 487971302 /nfs/dbraw/zinc/97/13/02/487971302.db2.gz QZGLHLZHJFSGBA-VIFPVBQESA-N 1 2 240.332 0.436 20 0 BCADLO C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CO1 ZINC000566146783 326002328 /nfs/dbraw/zinc/00/23/28/326002328.db2.gz GIFOVZZKBMBBNQ-UWVGGRQHSA-N 1 2 238.291 0.360 20 0 BCADLO CCc1nnc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000566174209 326007083 /nfs/dbraw/zinc/00/70/83/326007083.db2.gz REQBEDLYTWCEPF-ZETCQYMHSA-N 1 2 238.291 0.500 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)CC2(CCC2)O1 ZINC000566184810 326008019 /nfs/dbraw/zinc/00/80/19/326008019.db2.gz OUTCSHGQPGWKRI-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)CC2(CCC2)O1 ZINC000566184810 326008021 /nfs/dbraw/zinc/00/80/21/326008021.db2.gz OUTCSHGQPGWKRI-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H](CC(=O)NC[C@@H](O)C1CC1)n1cc[nH+]c1 ZINC000566331369 326034547 /nfs/dbraw/zinc/03/45/47/326034547.db2.gz LEVINXNCNRIHTK-MWLCHTKSSA-N 1 2 237.303 0.721 20 0 BCADLO Cc1cnc(CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC000566364214 326037663 /nfs/dbraw/zinc/03/76/63/326037663.db2.gz JAWGSNYOWDVINN-UHFFFAOYSA-N 1 2 245.286 0.340 20 0 BCADLO CN(C(=O)C[N@@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154259382 326137207 /nfs/dbraw/zinc/13/72/07/326137207.db2.gz FHALEHCDUSOMPZ-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO CN(C(=O)C[N@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154259382 326137210 /nfs/dbraw/zinc/13/72/10/326137210.db2.gz FHALEHCDUSOMPZ-UHFFFAOYSA-N 1 2 238.331 0.862 20 0 BCADLO Cc1ccnc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000567264413 326152979 /nfs/dbraw/zinc/15/29/79/326152979.db2.gz GSKFMAOLQMIAPC-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOCC2(CC2)C1 ZINC000567263302 326153047 /nfs/dbraw/zinc/15/30/47/326153047.db2.gz QKMXCXMGDCUWBD-UHFFFAOYSA-N 1 2 249.314 0.602 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000567316458 326159605 /nfs/dbraw/zinc/15/96/05/326159605.db2.gz GOEOIYMGRHJBNY-VIFPVBQESA-N 1 2 236.319 0.912 20 0 BCADLO CC1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000154843117 326167600 /nfs/dbraw/zinc/16/76/00/326167600.db2.gz SELBFPCOYRZHMD-UHFFFAOYSA-N 1 2 226.320 0.313 20 0 BCADLO COCc1cc(N(C)Cc2[nH+]ccn2C)ncn1 ZINC000567507188 326207082 /nfs/dbraw/zinc/20/70/82/326207082.db2.gz RSDYMSFQPKJOQA-UHFFFAOYSA-N 1 2 247.302 0.993 20 0 BCADLO CCn1cc[nH+]c1CN1CC(NC(=O)C2CC2)C1 ZINC000567566297 326218838 /nfs/dbraw/zinc/21/88/38/326218838.db2.gz QGFHRKDZXLQUTN-UHFFFAOYSA-N 1 2 248.330 0.613 20 0 BCADLO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000567581842 326222413 /nfs/dbraw/zinc/22/24/13/326222413.db2.gz RQVIIEHHRFPKEL-LLVKDONJSA-N 1 2 227.308 0.675 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000156239353 326224071 /nfs/dbraw/zinc/22/40/71/326224071.db2.gz FFAOBOGVMSGOID-ZJUUUORDSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000156239353 326224074 /nfs/dbraw/zinc/22/40/74/326224074.db2.gz FFAOBOGVMSGOID-ZJUUUORDSA-N 1 2 226.320 0.716 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000567709366 326248906 /nfs/dbraw/zinc/24/89/06/326248906.db2.gz XHGXWJCWODZSKT-ONGXEEELSA-N 1 2 225.267 0.827 20 0 BCADLO CC(=O)NCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000567767135 326256501 /nfs/dbraw/zinc/25/65/01/326256501.db2.gz CDFDGPOTSPUHEV-UHFFFAOYSA-N 1 2 247.302 0.839 20 0 BCADLO O=C1CN(Cc2c[nH+]c3ccccn23)CCN1 ZINC000157909349 326300077 /nfs/dbraw/zinc/30/00/77/326300077.db2.gz AGAJYYDQXJDPKH-UHFFFAOYSA-N 1 2 230.271 0.266 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC1(C)C ZINC000158036070 326305394 /nfs/dbraw/zinc/30/53/94/326305394.db2.gz ZJRWSGOBIXMEGT-MNOVXSKESA-N 1 2 240.347 0.869 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568106420 326309148 /nfs/dbraw/zinc/30/91/48/326309148.db2.gz PTEAXCDFGIZAAZ-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568106420 326309150 /nfs/dbraw/zinc/30/91/50/326309150.db2.gz PTEAXCDFGIZAAZ-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC(C)(F)F ZINC000568125789 326310964 /nfs/dbraw/zinc/31/09/64/326310964.db2.gz YKCVVJSPMINPGD-UHFFFAOYSA-N 1 2 217.219 0.734 20 0 BCADLO C[C@@H](C(=O)NCC(F)F)[NH+]1CC(C)C1 ZINC000568201246 326325233 /nfs/dbraw/zinc/32/52/33/326325233.db2.gz KTTKWIFZZGKRJL-ZETCQYMHSA-N 1 2 206.236 0.708 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1cc(CCO)ccn1 ZINC000568229376 326329812 /nfs/dbraw/zinc/32/98/12/326329812.db2.gz XROPHLVDWKQNBO-UHFFFAOYSA-N 1 2 246.270 0.452 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)[C@H](C)CO ZINC000158898599 326345644 /nfs/dbraw/zinc/34/56/44/326345644.db2.gz KLIKFYUQIZSQCF-SECBINFHSA-N 1 2 227.312 0.286 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)[C@H](C)CO ZINC000158898599 326345645 /nfs/dbraw/zinc/34/56/45/326345645.db2.gz KLIKFYUQIZSQCF-SECBINFHSA-N 1 2 227.312 0.286 20 0 BCADLO COC(=O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000568659950 326371588 /nfs/dbraw/zinc/37/15/88/326371588.db2.gz NSNLFVXTGBDZJK-UHFFFAOYSA-N 1 2 247.254 0.546 20 0 BCADLO CO[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000568752934 326374363 /nfs/dbraw/zinc/37/43/63/326374363.db2.gz VPZGWCGCTDTUQP-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000568763452 326376170 /nfs/dbraw/zinc/37/61/70/326376170.db2.gz OPHWYFZDMBMIAS-UWVGGRQHSA-N 1 2 237.303 0.944 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCC1(O)CCC1 ZINC000568771734 326376677 /nfs/dbraw/zinc/37/66/77/326376677.db2.gz CMAKMZCTSZRWBK-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO CCC[C@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000568996613 326385675 /nfs/dbraw/zinc/38/56/75/326385675.db2.gz DGAIVZPAWZUWQB-JTQLQIEISA-N 1 2 228.336 0.605 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000569060466 326388230 /nfs/dbraw/zinc/38/82/30/326388230.db2.gz OYHXVAJBGMHHOO-AOOOYVTPSA-N 1 2 233.271 0.606 20 0 BCADLO CCc1nc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)no1 ZINC000569119153 326391449 /nfs/dbraw/zinc/39/14/49/326391449.db2.gz YVDQDVFDTZHOBC-JGVFFNPUSA-N 1 2 225.292 0.881 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO)[C@H]1CCC[C@H](OC)C1 ZINC000573093767 326429207 /nfs/dbraw/zinc/42/92/07/326429207.db2.gz IMHIJNUGMBHLHH-GARJFASQSA-N 1 2 245.319 0.315 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(C)n1 ZINC000665918163 487972887 /nfs/dbraw/zinc/97/28/87/487972887.db2.gz SOMTZWOOKZLKOB-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(C)n1 ZINC000665918163 487972889 /nfs/dbraw/zinc/97/28/89/487972889.db2.gz SOMTZWOOKZLKOB-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CC1(C)C[N@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000158734929 487973416 /nfs/dbraw/zinc/97/34/16/487973416.db2.gz QZHNMLVSMVGEMO-SNVBAGLBSA-N 1 2 226.276 0.646 20 0 BCADLO CC1(C)C[N@@H+](Cc2ccno2)C[C@H](CO)O1 ZINC000158734929 487973419 /nfs/dbraw/zinc/97/34/19/487973419.db2.gz QZHNMLVSMVGEMO-SNVBAGLBSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2c[nH]nc2C1 ZINC000682532508 487978067 /nfs/dbraw/zinc/97/80/67/487978067.db2.gz YXFVWKZQYCMBKO-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCc2c[nH]nc2C1 ZINC000682532508 487978072 /nfs/dbraw/zinc/97/80/72/487978072.db2.gz YXFVWKZQYCMBKO-SSDOTTSWSA-N 1 2 233.279 0.053 20 0 BCADLO CN(C)C(=O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682543439 487982196 /nfs/dbraw/zinc/98/21/96/487982196.db2.gz HJEUSMHRMZFPFE-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO CN(C)C(=O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682543439 487982200 /nfs/dbraw/zinc/98/22/00/487982200.db2.gz HJEUSMHRMZFPFE-MRVPVSSYSA-N 1 2 236.262 0.167 20 0 BCADLO CC[C@@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544919 487983930 /nfs/dbraw/zinc/98/39/30/487983930.db2.gz YRTKAWHRTCWYHP-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO CC[C@@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544919 487983935 /nfs/dbraw/zinc/98/39/35/487983935.db2.gz YRTKAWHRTCWYHP-HTQZYQBOSA-N 1 2 209.236 0.459 20 0 BCADLO CCn1cnc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000667359849 487985437 /nfs/dbraw/zinc/98/54/37/487985437.db2.gz QAORWVVPTMXUIF-UHFFFAOYSA-N 1 2 248.330 0.823 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1csnn1 ZINC000672158202 487985746 /nfs/dbraw/zinc/98/57/46/487985746.db2.gz SEJMQFNPIOEOAH-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO CC(C)(O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548019 487986776 /nfs/dbraw/zinc/98/67/76/487986776.db2.gz VMOYITZPZFIMRR-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO CC(C)(O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548019 487986782 /nfs/dbraw/zinc/98/67/82/487986782.db2.gz VMOYITZPZFIMRR-MRVPVSSYSA-N 1 2 223.263 0.849 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220515547 487988253 /nfs/dbraw/zinc/98/82/53/487988253.db2.gz XGQIWACTNLSXIK-VIFPVBQESA-N 1 2 237.303 0.355 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220515547 487988259 /nfs/dbraw/zinc/98/82/59/487988259.db2.gz XGQIWACTNLSXIK-VIFPVBQESA-N 1 2 237.303 0.355 20 0 BCADLO COC[C@H](C)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682558185 487988978 /nfs/dbraw/zinc/98/89/78/487988978.db2.gz JYULWPOJVQAIMT-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](C)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682558185 487988981 /nfs/dbraw/zinc/98/89/81/487988981.db2.gz JYULWPOJVQAIMT-BDAKNGLRSA-N 1 2 223.263 0.971 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000677177534 487990339 /nfs/dbraw/zinc/99/03/39/487990339.db2.gz PDRJTYIYPMOIPE-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000677177534 487990346 /nfs/dbraw/zinc/99/03/46/487990346.db2.gz PDRJTYIYPMOIPE-VIFPVBQESA-N 1 2 222.292 0.576 20 0 BCADLO c1nc(N2C[C@H]3CC[C@@H](C2)O3)c2c([nH+]1)NCCO2 ZINC000665704220 487994103 /nfs/dbraw/zinc/99/41/03/487994103.db2.gz NVAKOQSVEGOCKB-DTORHVGOSA-N 1 2 248.286 0.649 20 0 BCADLO c1nc2c(c(N3C[C@H]4CC[C@@H](C3)O4)[nH+]1)OCCN2 ZINC000665704220 487994106 /nfs/dbraw/zinc/99/41/06/487994106.db2.gz NVAKOQSVEGOCKB-DTORHVGOSA-N 1 2 248.286 0.649 20 0 BCADLO CCn1c[nH+]cc1CN(C)Cc1cn(C)nn1 ZINC000668603250 487996024 /nfs/dbraw/zinc/99/60/24/487996024.db2.gz CFRSVJDMSUUSDM-UHFFFAOYSA-N 1 2 234.307 0.664 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000682618787 488002370 /nfs/dbraw/zinc/00/23/70/488002370.db2.gz ALBVCHOAIZZQLE-ZJUUUORDSA-N 1 2 245.286 0.622 20 0 BCADLO CNS(=O)(=O)NCCc1[nH+]cc(C)cc1C ZINC000655634357 488004544 /nfs/dbraw/zinc/00/45/44/488004544.db2.gz JZEKASPXONWBDK-UHFFFAOYSA-N 1 2 243.332 0.295 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@@H](C)O ZINC000134905671 488005116 /nfs/dbraw/zinc/00/51/16/488005116.db2.gz FHQOMAPJOWFWRQ-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO CO[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC000682663197 488007687 /nfs/dbraw/zinc/00/76/87/488007687.db2.gz PHONUOIAXRILSR-SECBINFHSA-N 1 2 249.274 0.172 20 0 BCADLO CC[C@@H](C)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000682672459 488009184 /nfs/dbraw/zinc/00/91/84/488009184.db2.gz BJOMSXKUMITXKV-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)sn1 ZINC000401131455 488013856 /nfs/dbraw/zinc/01/38/56/488013856.db2.gz TZLBIEUUXOFEBS-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)sn1 ZINC000401131455 488013860 /nfs/dbraw/zinc/01/38/60/488013860.db2.gz TZLBIEUUXOFEBS-RKDXNWHRSA-N 1 2 244.316 0.343 20 0 BCADLO CC[N@H+](CCO)Cc1cn(C2CCC2)nn1 ZINC000667472255 488016757 /nfs/dbraw/zinc/01/67/57/488016757.db2.gz ADLILSVAMUJSPM-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO CC[N@@H+](CCO)Cc1cn(C2CCC2)nn1 ZINC000667472255 488016760 /nfs/dbraw/zinc/01/67/60/488016760.db2.gz ADLILSVAMUJSPM-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667472267 488017696 /nfs/dbraw/zinc/01/76/96/488017696.db2.gz ANSCYFIRSOUOQM-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667472267 488017705 /nfs/dbraw/zinc/01/77/05/488017705.db2.gz ANSCYFIRSOUOQM-GFCCVEGCSA-N 1 2 236.319 0.960 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1[C@H](C)C[C@H]1C ZINC000660447820 488018405 /nfs/dbraw/zinc/01/84/05/488018405.db2.gz QHHPFIHZVLZHML-DOLQZWNJSA-N 1 2 233.333 0.281 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1[C@H](C)C[C@@H]1C ZINC000660447830 488018584 /nfs/dbraw/zinc/01/85/84/488018584.db2.gz QHHPFIHZVLZHML-QCLAVDOMSA-N 1 2 233.333 0.281 20 0 BCADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1[C@H](C)C[C@@H]1C ZINC000660447830 488018588 /nfs/dbraw/zinc/01/85/88/488018588.db2.gz QHHPFIHZVLZHML-QCLAVDOMSA-N 1 2 233.333 0.281 20 0 BCADLO CCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000081571028 488021345 /nfs/dbraw/zinc/02/13/45/488021345.db2.gz VUCDLXNCZIVZLD-UHFFFAOYSA-N 1 2 220.338 0.362 20 0 BCADLO CCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000081571028 488021348 /nfs/dbraw/zinc/02/13/48/488021348.db2.gz VUCDLXNCZIVZLD-UHFFFAOYSA-N 1 2 220.338 0.362 20 0 BCADLO CCNC(=O)C[N@H+](C)CCc1c(C)noc1C ZINC000677375294 488026541 /nfs/dbraw/zinc/02/65/41/488026541.db2.gz MXQDFBYWJYKIJV-UHFFFAOYSA-N 1 2 239.319 0.902 20 0 BCADLO CCNC(=O)C[N@@H+](C)CCc1c(C)noc1C ZINC000677375294 488026547 /nfs/dbraw/zinc/02/65/47/488026547.db2.gz MXQDFBYWJYKIJV-UHFFFAOYSA-N 1 2 239.319 0.902 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnn2c1CCC2 ZINC000667534405 488038022 /nfs/dbraw/zinc/03/80/22/488038022.db2.gz WXVXOCMQYMFLDX-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667534405 488038027 /nfs/dbraw/zinc/03/80/27/488038027.db2.gz WXVXOCMQYMFLDX-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO CN1C(=O)CC[C@H]([NH2+]Cc2nccs2)C1=O ZINC000084406685 488050886 /nfs/dbraw/zinc/05/08/86/488050886.db2.gz JPQOYRTVDXTOCU-ZETCQYMHSA-N 1 2 239.300 0.380 20 0 BCADLO COc1c(C)[nH+]cnc1NCC(C)(C)O ZINC000656118682 488050830 /nfs/dbraw/zinc/05/08/30/488050830.db2.gz RWDKFZPKXGPRBQ-UHFFFAOYSA-N 1 2 211.265 0.976 20 0 BCADLO CCOC1CC[NH+]([C@@H]2CON(CC)C2=O)CC1 ZINC000682842475 488052389 /nfs/dbraw/zinc/05/23/89/488052389.db2.gz JRALQRMPULUZSD-LLVKDONJSA-N 1 2 242.319 0.650 20 0 BCADLO CCOC1CC[NH+]([C@H]2CON(CC)C2=O)CC1 ZINC000682842476 488052439 /nfs/dbraw/zinc/05/24/39/488052439.db2.gz JRALQRMPULUZSD-NSHDSACASA-N 1 2 242.319 0.650 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2nccn2C)C1 ZINC000401729613 488057040 /nfs/dbraw/zinc/05/70/40/488057040.db2.gz SXNHKLONXYQORP-LBPRGKRZSA-N 1 2 239.319 0.393 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nccn2C)C1 ZINC000401729613 488057046 /nfs/dbraw/zinc/05/70/46/488057046.db2.gz SXNHKLONXYQORP-LBPRGKRZSA-N 1 2 239.319 0.393 20 0 BCADLO CCCn1nccc1C[N@@H+]1CCn2cnnc2C1 ZINC000667612122 488058011 /nfs/dbraw/zinc/05/80/11/488058011.db2.gz NFMMJPLHTVXNCJ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CCCn1nccc1C[N@H+]1CCn2cnnc2C1 ZINC000667612122 488058015 /nfs/dbraw/zinc/05/80/15/488058015.db2.gz NFMMJPLHTVXNCJ-UHFFFAOYSA-N 1 2 246.318 0.900 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2coc(C)n2)C1 ZINC000401789889 488067372 /nfs/dbraw/zinc/06/73/72/488067372.db2.gz MYRPJMFWVORJRN-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000401789889 488067376 /nfs/dbraw/zinc/06/73/76/488067376.db2.gz MYRPJMFWVORJRN-LBPRGKRZSA-N 1 2 240.303 0.956 20 0 BCADLO Cc1c[nH]nc1C(=O)NCCNc1cccc[nH+]1 ZINC000669637049 488067112 /nfs/dbraw/zinc/06/71/12/488067112.db2.gz SGLWCUXAMBVWEL-UHFFFAOYSA-N 1 2 245.286 0.955 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682491498 488071040 /nfs/dbraw/zinc/07/10/40/488071040.db2.gz HBPNDBJBPOWQOQ-UWVGGRQHSA-N 1 2 223.276 0.427 20 0 BCADLO CC[C@]1(NC(=O)Cc2c[nH+]cn2C)CCOC1 ZINC000682978197 488077611 /nfs/dbraw/zinc/07/76/11/488077611.db2.gz JPSHRUPENHLUMB-LBPRGKRZSA-N 1 2 237.303 0.648 20 0 BCADLO CCOc1ccc(C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC000677572162 488077661 /nfs/dbraw/zinc/07/76/61/488077661.db2.gz SZOYFAUUKNZWHH-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)nc1 ZINC000677572162 488077664 /nfs/dbraw/zinc/07/76/64/488077664.db2.gz SZOYFAUUKNZWHH-LBPRGKRZSA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H](O)C1CC1 ZINC000667680304 488085246 /nfs/dbraw/zinc/08/52/46/488085246.db2.gz CMKYRYMNHHWDOA-SNVBAGLBSA-N 1 2 222.244 0.800 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cnco1 ZINC000677644755 488085781 /nfs/dbraw/zinc/08/57/81/488085781.db2.gz GSSJTOVXHDUSIK-UHFFFAOYSA-N 1 2 205.173 0.449 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667688409 488087317 /nfs/dbraw/zinc/08/73/17/488087317.db2.gz QQJRGDAUOHHZSG-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667688409 488087322 /nfs/dbraw/zinc/08/73/22/488087322.db2.gz QQJRGDAUOHHZSG-LBPRGKRZSA-N 1 2 236.319 0.960 20 0 BCADLO C[C@]1(C2CC2)C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000661164473 488087486 /nfs/dbraw/zinc/08/74/86/488087486.db2.gz LEFFXOCBMADMJN-CYBMUJFWSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@]1(C2CC2)C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000661164473 488087493 /nfs/dbraw/zinc/08/74/93/488087493.db2.gz LEFFXOCBMADMJN-CYBMUJFWSA-N 1 2 238.331 0.766 20 0 BCADLO C[N@@H+](Cc1ncccn1)C[C@@H](O)C1CC1 ZINC000683010476 488091029 /nfs/dbraw/zinc/09/10/29/488091029.db2.gz CBHQHNTYJHFDEN-SNVBAGLBSA-N 1 2 207.277 0.679 20 0 BCADLO C[N@H+](Cc1ncccn1)C[C@@H](O)C1CC1 ZINC000683010476 488091033 /nfs/dbraw/zinc/09/10/33/488091033.db2.gz CBHQHNTYJHFDEN-SNVBAGLBSA-N 1 2 207.277 0.679 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ncccn1 ZINC000683019328 488095314 /nfs/dbraw/zinc/09/53/14/488095314.db2.gz QEHJLGGZOSJDMP-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ncccn1 ZINC000683019328 488095322 /nfs/dbraw/zinc/09/53/22/488095322.db2.gz QEHJLGGZOSJDMP-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO COCC1([N@H+](C)Cc2nnnn2C2CC2)CC1 ZINC000677728247 488105317 /nfs/dbraw/zinc/10/53/17/488105317.db2.gz DESNDVUKQPDXKM-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO COCC1([N@@H+](C)Cc2nnnn2C2CC2)CC1 ZINC000677728247 488105320 /nfs/dbraw/zinc/10/53/20/488105320.db2.gz DESNDVUKQPDXKM-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO COCC1([N@H+](C)Cc2nnc(C)n2C)CC1 ZINC000677729097 488106197 /nfs/dbraw/zinc/10/61/97/488106197.db2.gz WDIPXKXRMZPMHJ-UHFFFAOYSA-N 1 2 224.308 0.734 20 0 BCADLO COCC1([N@@H+](C)Cc2nnc(C)n2C)CC1 ZINC000677729097 488106201 /nfs/dbraw/zinc/10/62/01/488106201.db2.gz WDIPXKXRMZPMHJ-UHFFFAOYSA-N 1 2 224.308 0.734 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000677728814 488107017 /nfs/dbraw/zinc/10/70/17/488107017.db2.gz XNLLMNNLCPYGNK-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000677728814 488107019 /nfs/dbraw/zinc/10/70/19/488107019.db2.gz XNLLMNNLCPYGNK-PSASIEDQSA-N 1 2 236.319 0.648 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nc(C)no2)C[C@@H]1OC ZINC000683097534 488107770 /nfs/dbraw/zinc/10/77/70/488107770.db2.gz SVVBVBSWJHFSAR-UJNFCWOMSA-N 1 2 241.291 0.785 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nc(C)no2)C[C@@H]1OC ZINC000683097534 488107772 /nfs/dbraw/zinc/10/77/72/488107772.db2.gz SVVBVBSWJHFSAR-UJNFCWOMSA-N 1 2 241.291 0.785 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccnn1C ZINC000667759275 488109258 /nfs/dbraw/zinc/10/92/58/488109258.db2.gz FNJQTTMQHXBSTN-RKDXNWHRSA-N 1 2 245.286 0.896 20 0 BCADLO O=C1NCC[C@H]1[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677733776 488110993 /nfs/dbraw/zinc/11/09/93/488110993.db2.gz PXLKEZVMIMCOMR-SSDOTTSWSA-N 1 2 216.231 0.606 20 0 BCADLO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)N1CCC1 ZINC000677732912 488111519 /nfs/dbraw/zinc/11/15/19/488111519.db2.gz QAJNIPUCUQOESP-UHFFFAOYSA-N 1 2 230.258 0.950 20 0 BCADLO C[C@@H](CO)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546135 488114068 /nfs/dbraw/zinc/11/40/68/488114068.db2.gz JTEGIWKNBLGPOT-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@@H](CO)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546135 488114071 /nfs/dbraw/zinc/11/40/71/488114071.db2.gz JTEGIWKNBLGPOT-HTQZYQBOSA-N 1 2 209.236 0.317 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000677737139 488115846 /nfs/dbraw/zinc/11/58/46/488115846.db2.gz KSVQQFIAULTPNS-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000677737139 488115852 /nfs/dbraw/zinc/11/58/52/488115852.db2.gz KSVQQFIAULTPNS-BDAKNGLRSA-N 1 2 239.275 0.316 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000677737142 488115629 /nfs/dbraw/zinc/11/56/29/488115629.db2.gz KSVQQFIAULTPNS-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000677737142 488115631 /nfs/dbraw/zinc/11/56/31/488115631.db2.gz KSVQQFIAULTPNS-RKDXNWHRSA-N 1 2 239.275 0.316 20 0 BCADLO COCc1nc(C[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000683146011 488120037 /nfs/dbraw/zinc/12/00/37/488120037.db2.gz FOZMNEVDLHAJPP-LDYMZIIASA-N 1 2 241.291 0.873 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@H](C(F)F)C2)nn1 ZINC000677764999 488120110 /nfs/dbraw/zinc/12/01/10/488120110.db2.gz BDMDQIDBBYGUOR-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@H](C(F)F)C2)nn1 ZINC000677764999 488120116 /nfs/dbraw/zinc/12/01/16/488120116.db2.gz BDMDQIDBBYGUOR-ZETCQYMHSA-N 1 2 216.235 0.902 20 0 BCADLO COCc1nc(C[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000683146010 488120133 /nfs/dbraw/zinc/12/01/33/488120133.db2.gz FOZMNEVDLHAJPP-KWQFWETISA-N 1 2 241.291 0.873 20 0 BCADLO CC(C)(O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000683178482 488123616 /nfs/dbraw/zinc/12/36/16/488123616.db2.gz FHAXGQBCUWBVAD-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CC1CC1 ZINC000678383853 488127422 /nfs/dbraw/zinc/12/74/22/488127422.db2.gz ASQXXARRYQMMGR-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO Cc1cc(N2CC[C@@H](NC(N)=O)C2)nc[nH+]1 ZINC000677810532 488129063 /nfs/dbraw/zinc/12/90/63/488129063.db2.gz VBNBMQFWPCHDEK-MRVPVSSYSA-N 1 2 221.264 0.032 20 0 BCADLO Cc1c(C[N@@H+]2CCc3n[nH]nc3C2)cnn1C ZINC000683223803 488133594 /nfs/dbraw/zinc/13/35/94/488133594.db2.gz ZEOUNYWVJOZAAR-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1c(C[N@H+]2CCc3n[nH]nc3C2)cnn1C ZINC000683223803 488133596 /nfs/dbraw/zinc/13/35/96/488133596.db2.gz ZEOUNYWVJOZAAR-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO COCC1(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000526009273 487539379 /nfs/dbraw/zinc/53/93/79/487539379.db2.gz FHEWFYRJBJJIAW-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO COCC1(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000526009273 487539388 /nfs/dbraw/zinc/53/93/88/487539388.db2.gz FHEWFYRJBJJIAW-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C)n[nH]c1C ZINC000668790012 487541446 /nfs/dbraw/zinc/54/14/46/487541446.db2.gz FABQBYNSFVBQHC-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000668790012 487541448 /nfs/dbraw/zinc/54/14/48/487541448.db2.gz FABQBYNSFVBQHC-UHFFFAOYSA-N 1 2 210.281 0.204 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000668790542 487542427 /nfs/dbraw/zinc/54/24/27/487542427.db2.gz OWKXFVYPPYNFAW-UHFFFAOYSA-N 1 2 242.348 0.387 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000668790542 487542436 /nfs/dbraw/zinc/54/24/36/487542436.db2.gz OWKXFVYPPYNFAW-UHFFFAOYSA-N 1 2 242.348 0.387 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000668791112 487543731 /nfs/dbraw/zinc/54/37/31/487543731.db2.gz XFHTWVRSJKGDHS-UHFFFAOYSA-N 1 2 241.316 0.025 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000668791112 487543736 /nfs/dbraw/zinc/54/37/36/487543736.db2.gz XFHTWVRSJKGDHS-UHFFFAOYSA-N 1 2 241.316 0.025 20 0 BCADLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000685564783 487546712 /nfs/dbraw/zinc/54/67/12/487546712.db2.gz HONDROPJNYGSFK-JTQLQIEISA-N 1 2 237.303 0.954 20 0 BCADLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000685564783 487546716 /nfs/dbraw/zinc/54/67/16/487546716.db2.gz HONDROPJNYGSFK-JTQLQIEISA-N 1 2 237.303 0.954 20 0 BCADLO C[C@@H](CO)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000665839741 487551163 /nfs/dbraw/zinc/55/11/63/487551163.db2.gz QZULWSJLOHEYJM-RKDXNWHRSA-N 1 2 240.307 0.409 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000685574885 487556002 /nfs/dbraw/zinc/55/60/02/487556002.db2.gz NLUCHAPCQUPNTG-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000685574885 487556005 /nfs/dbraw/zinc/55/60/05/487556005.db2.gz NLUCHAPCQUPNTG-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000668787681 487532593 /nfs/dbraw/zinc/53/25/93/487532593.db2.gz GDCRYPNUQBQAPN-UHFFFAOYSA-N 1 2 246.261 0.326 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000668787681 487532596 /nfs/dbraw/zinc/53/25/96/487532596.db2.gz GDCRYPNUQBQAPN-UHFFFAOYSA-N 1 2 246.261 0.326 20 0 BCADLO CO[C@@H](C)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000679855131 487474094 /nfs/dbraw/zinc/47/40/94/487474094.db2.gz RCIPNJKVFSSOFC-RYUDHWBXSA-N 1 2 228.336 0.428 20 0 BCADLO C[N@H+](CC(=O)NCC1CC1)Cc1cn[nH]c1 ZINC000673928107 487481972 /nfs/dbraw/zinc/48/19/72/487481972.db2.gz WYEBMJXDCJTWCP-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO C[N@@H+](CC(=O)NCC1CC1)Cc1cn[nH]c1 ZINC000673928107 487481977 /nfs/dbraw/zinc/48/19/77/487481977.db2.gz WYEBMJXDCJTWCP-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000670152967 487476647 /nfs/dbraw/zinc/47/66/47/487476647.db2.gz FDKHHYHHIQJMNR-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1ncnn1C)CC2 ZINC000679869237 487477475 /nfs/dbraw/zinc/47/74/75/487477475.db2.gz RSETXYWYNGBVMF-UHFFFAOYSA-N 1 2 232.291 0.336 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(CO)nn1 ZINC000380839875 487488250 /nfs/dbraw/zinc/48/82/50/487488250.db2.gz TWGYOGPRLBAGHQ-UHFFFAOYSA-N 1 2 220.232 0.222 20 0 BCADLO CCc1c(C(=O)NCc2[nH]c[nH+]c2C)cnn1C ZINC000673944588 487488422 /nfs/dbraw/zinc/48/84/22/487488422.db2.gz JRKWFMVSPKZJQQ-UHFFFAOYSA-N 1 2 247.302 0.944 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000685002000 487489495 /nfs/dbraw/zinc/48/94/95/487489495.db2.gz QIVYKJOIZKYOPU-SECBINFHSA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000685002000 487489499 /nfs/dbraw/zinc/48/94/99/487489499.db2.gz QIVYKJOIZKYOPU-SECBINFHSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000685003743 487490378 /nfs/dbraw/zinc/49/03/78/487490378.db2.gz NEIHBOWJACXNHJ-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000685003743 487490380 /nfs/dbraw/zinc/49/03/80/487490380.db2.gz NEIHBOWJACXNHJ-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO c1cn(CCCNc2cncc3ncnn32)c[nH+]1 ZINC000679926879 487490617 /nfs/dbraw/zinc/49/06/17/487490617.db2.gz CZTTWDACCLNGBB-UHFFFAOYSA-N 1 2 243.274 0.823 20 0 BCADLO Cn1nnc(CN2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000685035839 487493510 /nfs/dbraw/zinc/49/35/10/487493510.db2.gz LSRAIHKPISZFAB-JTQLQIEISA-N 1 2 247.306 0.244 20 0 BCADLO COCC[N@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000685035103 487493707 /nfs/dbraw/zinc/49/37/07/487493707.db2.gz ZHUHJYXEXBLCGI-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO COCC[N@@H+](Cc1nnn(C)n1)C1CCCC1 ZINC000685035103 487493713 /nfs/dbraw/zinc/49/37/13/487493713.db2.gz ZHUHJYXEXBLCGI-UHFFFAOYSA-N 1 2 239.323 0.601 20 0 BCADLO CC[N@@H+](Cc1nnn(C)n1)C[C@@H]1CCOC1 ZINC000685034647 487493856 /nfs/dbraw/zinc/49/38/56/487493856.db2.gz XXKHJOAKMHZERX-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CC[N@H+](Cc1nnn(C)n1)C[C@@H]1CCOC1 ZINC000685034647 487493862 /nfs/dbraw/zinc/49/38/62/487493862.db2.gz XXKHJOAKMHZERX-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CCc1cc(N[C@H]2C(=O)NCC[C@@H]2C)nc[nH+]1 ZINC000685039850 487494541 /nfs/dbraw/zinc/49/45/41/487494541.db2.gz LTEZEZGCYSYLCK-GZMMTYOYSA-N 1 2 234.303 0.976 20 0 BCADLO Cn1cc(CNc2cc[nH+]c3ccncc23)nn1 ZINC000679932233 487495737 /nfs/dbraw/zinc/49/57/37/487495737.db2.gz KFWHYVPSZRSYFR-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO CC1(CO)CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668233685 487506324 /nfs/dbraw/zinc/50/63/24/487506324.db2.gz IBPPTYOHMHHNSC-UHFFFAOYSA-N 1 2 221.304 0.644 20 0 BCADLO CCc1cc(N[C@@H](C)C(=O)NCCF)nc[nH+]1 ZINC000669661164 487509895 /nfs/dbraw/zinc/50/98/95/487509895.db2.gz NBBXQDKUPQVUOQ-QMMMGPOBSA-N 1 2 240.282 0.925 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)CC[NH2+]1 ZINC000275814444 487517147 /nfs/dbraw/zinc/51/71/47/487517147.db2.gz VMOXKKBJIACMKL-UWVGGRQHSA-N 1 2 248.330 0.650 20 0 BCADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](O)C1 ZINC000680015337 487517781 /nfs/dbraw/zinc/51/77/81/487517781.db2.gz VYMBKNLDDHKZST-SNVBAGLBSA-N 1 2 246.270 0.933 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ncccc1O ZINC000685420582 487519974 /nfs/dbraw/zinc/51/99/74/487519974.db2.gz OUZRRQKKBPGWFL-VHSXEESVSA-N 1 2 238.287 0.369 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ncccc1O ZINC000685420582 487519977 /nfs/dbraw/zinc/51/99/77/487519977.db2.gz OUZRRQKKBPGWFL-VHSXEESVSA-N 1 2 238.287 0.369 20 0 BCADLO O=C(C[NH+]1CCC(O)CC1)Nc1ccon1 ZINC000041367029 487522778 /nfs/dbraw/zinc/52/27/78/487522778.db2.gz IZWXEWDIZVILGF-UHFFFAOYSA-N 1 2 225.248 0.070 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(C(F)(F)F)C1 ZINC000669328186 487523372 /nfs/dbraw/zinc/52/33/72/487523372.db2.gz XVFMPJNXTONUBT-UHFFFAOYSA-N 1 2 247.220 0.983 20 0 BCADLO O[C@@H]1CCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665728018 487526148 /nfs/dbraw/zinc/52/61/48/487526148.db2.gz VLWUCRSYLQVFGM-HTQZYQBOSA-N 1 2 236.275 0.606 20 0 BCADLO O[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665728018 487526154 /nfs/dbraw/zinc/52/61/54/487526154.db2.gz VLWUCRSYLQVFGM-HTQZYQBOSA-N 1 2 236.275 0.606 20 0 BCADLO CCN1CC[C@H](Nc2cc(C)[nH+]cn2)C1=O ZINC000390477917 488158489 /nfs/dbraw/zinc/15/84/89/488158489.db2.gz LMHHTLBYMQLGMC-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO c1cc(CNc2ccc(-n3cncn3)c[nH+]2)n[nH]1 ZINC000682855868 487580088 /nfs/dbraw/zinc/58/00/88/487580088.db2.gz ZDZLHPAFZJZNQY-UHFFFAOYSA-N 1 2 241.258 0.998 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000185105593 487728709 /nfs/dbraw/zinc/72/87/09/487728709.db2.gz SNUFVSBRCPJEGU-FVMDXXJSSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000185105593 487728714 /nfs/dbraw/zinc/72/87/14/487728714.db2.gz SNUFVSBRCPJEGU-FVMDXXJSSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1csnn1)[C@H](C)CO ZINC000682409291 487951725 /nfs/dbraw/zinc/95/17/25/487951725.db2.gz MSQNJJNCBBYOSE-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1csnn1)[C@H](C)CO ZINC000682409291 487951727 /nfs/dbraw/zinc/95/17/27/487951727.db2.gz MSQNJJNCBBYOSE-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO Cc1nc(N(CCO)C2CC2)nc(N(C)C)[nH+]1 ZINC000676081655 487812102 /nfs/dbraw/zinc/81/21/02/487812102.db2.gz CITJRPGSQSMGAV-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N(CCO)C2CC2)[nH+]1 ZINC000676081655 487812105 /nfs/dbraw/zinc/81/21/05/487812105.db2.gz CITJRPGSQSMGAV-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO COC(=O)CC[NH+]1CCN(CCCF)CC1 ZINC000147226185 487980942 /nfs/dbraw/zinc/98/09/42/487980942.db2.gz XAFOMIZTHBUXQT-UHFFFAOYSA-N 1 2 232.299 0.527 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@@H](C)O ZINC000134905671 488005114 /nfs/dbraw/zinc/00/51/14/488005114.db2.gz FHQOMAPJOWFWRQ-ZCFIWIBFSA-N 1 2 212.253 0.250 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnco1 ZINC000677516055 488062367 /nfs/dbraw/zinc/06/23/67/488062367.db2.gz CBNPJCBMPUVPNB-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000677744619 488117635 /nfs/dbraw/zinc/11/76/35/488117635.db2.gz RJKMRKXBTVYDED-QMMMGPOBSA-N 1 2 228.321 0.041 20 0 BCADLO C[C@@H](O)C1([NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000668701533 488137742 /nfs/dbraw/zinc/13/77/42/488137742.db2.gz QFIRHRSUSMDSIA-MRVPVSSYSA-N 1 2 239.323 0.431 20 0 BCADLO CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670406221 488147059 /nfs/dbraw/zinc/14/70/59/488147059.db2.gz KJEATTLDPTZYFN-GFCCVEGCSA-N 1 2 239.363 0.683 20 0 BCADLO CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670406221 488147066 /nfs/dbraw/zinc/14/70/66/488147066.db2.gz KJEATTLDPTZYFN-GFCCVEGCSA-N 1 2 239.363 0.683 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)N2CCC2)cn1 ZINC000677897008 488152283 /nfs/dbraw/zinc/15/22/83/488152283.db2.gz LYNTWMJOOMEWQY-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)N2CCC2)cn1 ZINC000677897008 488152289 /nfs/dbraw/zinc/15/22/89/488152289.db2.gz LYNTWMJOOMEWQY-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000677921585 488157579 /nfs/dbraw/zinc/15/75/79/488157579.db2.gz LYVDPRAOZZHTSY-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000677921585 488157586 /nfs/dbraw/zinc/15/75/86/488157586.db2.gz LYVDPRAOZZHTSY-MRVPVSSYSA-N 1 2 245.286 0.431 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccccn2)nn1 ZINC000404450022 488160915 /nfs/dbraw/zinc/16/09/15/488160915.db2.gz QLDXCVICYCYNIP-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccncc2)nn1 ZINC000404440828 488161185 /nfs/dbraw/zinc/16/11/85/488161185.db2.gz KAHLLXGYYAHREG-UHFFFAOYSA-N 1 2 217.276 0.983 20 0 BCADLO CCc1cc(NCCc2nnc(N)o2)nc[nH+]1 ZINC000683458452 488166106 /nfs/dbraw/zinc/16/61/06/488166106.db2.gz HHHYBIUSRCTCMX-UHFFFAOYSA-N 1 2 234.263 0.659 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C(N)=O ZINC000683481948 488173552 /nfs/dbraw/zinc/17/35/52/488173552.db2.gz PAQXZGDVIJJHII-UHFFFAOYSA-N 1 2 221.260 0.262 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667978145 488173887 /nfs/dbraw/zinc/17/38/87/488173887.db2.gz WFMZWNZPGWCFMU-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667978145 488173892 /nfs/dbraw/zinc/17/38/92/488173892.db2.gz WFMZWNZPGWCFMU-SECBINFHSA-N 1 2 224.308 0.816 20 0 BCADLO C[N@H+](Cc1cn(C2CCC2)nn1)C1CC(O)C1 ZINC000667987132 488176987 /nfs/dbraw/zinc/17/69/87/488176987.db2.gz ZIGRIOIGJMXSAS-UHFFFAOYSA-N 1 2 236.319 0.958 20 0 BCADLO C[N@@H+](Cc1cn(C2CCC2)nn1)C1CC(O)C1 ZINC000667987132 488176989 /nfs/dbraw/zinc/17/69/89/488176989.db2.gz ZIGRIOIGJMXSAS-UHFFFAOYSA-N 1 2 236.319 0.958 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH+]c[nH]2)nn1 ZINC000678047214 488185297 /nfs/dbraw/zinc/18/52/97/488185297.db2.gz JTTQRMWEBNTFHN-UHFFFAOYSA-N 1 2 234.263 0.341 20 0 BCADLO CCCn1cc(C(=O)NCc2c[nH]c[nH+]2)nn1 ZINC000678047214 488185303 /nfs/dbraw/zinc/18/53/03/488185303.db2.gz JTTQRMWEBNTFHN-UHFFFAOYSA-N 1 2 234.263 0.341 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2csnn2)C1 ZINC000401706988 488187377 /nfs/dbraw/zinc/18/73/77/488187377.db2.gz FJVXUXQDVZBMSM-JTQLQIEISA-N 1 2 243.332 0.511 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2csnn2)C1 ZINC000401706988 488187378 /nfs/dbraw/zinc/18/73/78/488187378.db2.gz FJVXUXQDVZBMSM-JTQLQIEISA-N 1 2 243.332 0.511 20 0 BCADLO CN(CC(=O)N(C)CC1CC1)Cc1[nH]cc[nH+]1 ZINC000678053218 488187702 /nfs/dbraw/zinc/18/77/02/488187702.db2.gz LVWKFKKSTXGMFH-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403190031 488194502 /nfs/dbraw/zinc/19/45/02/488194502.db2.gz VLLMLYWNBXDAFB-QMMMGPOBSA-N 1 2 207.220 0.525 20 0 BCADLO CC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403190031 488194505 /nfs/dbraw/zinc/19/45/05/488194505.db2.gz VLLMLYWNBXDAFB-QMMMGPOBSA-N 1 2 207.220 0.525 20 0 BCADLO C=Cn1cc(C[NH2+]Cc2nnnn2C2CC2)cn1 ZINC000683704796 488210663 /nfs/dbraw/zinc/21/06/63/488210663.db2.gz YSPXJASMZVWWBC-UHFFFAOYSA-N 1 2 245.290 0.595 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@@H]2C)n1C ZINC000668171394 488214251 /nfs/dbraw/zinc/21/42/51/488214251.db2.gz LSTUGDPMNWABKN-VIFPVBQESA-N 1 2 236.319 0.439 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@@H]2C)n1C ZINC000668171394 488214255 /nfs/dbraw/zinc/21/42/55/488214255.db2.gz LSTUGDPMNWABKN-VIFPVBQESA-N 1 2 236.319 0.439 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668192138 488218560 /nfs/dbraw/zinc/21/85/60/488218560.db2.gz UVHYAJHIWXEWTN-RYUDHWBXSA-N 1 2 249.314 0.818 20 0 BCADLO FC(F)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678217335 488219205 /nfs/dbraw/zinc/21/92/05/488219205.db2.gz RTGKJASTSZTXHC-UHFFFAOYSA-N 1 2 230.262 0.792 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000668193631 488219637 /nfs/dbraw/zinc/21/96/37/488219637.db2.gz KKQOWCSQEVIEST-NXEZZACHSA-N 1 2 237.303 0.851 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231653275 488220309 /nfs/dbraw/zinc/22/03/09/488220309.db2.gz RWFXNLHGUALMAM-QMMMGPOBSA-N 1 2 211.265 0.597 20 0 BCADLO CCn1ncnc1C[N@H+](C)C1(COC)CC1 ZINC000683785060 488221368 /nfs/dbraw/zinc/22/13/68/488221368.db2.gz FHYWOPPLILKAKX-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C1(COC)CC1 ZINC000683785060 488221370 /nfs/dbraw/zinc/22/13/70/488221370.db2.gz FHYWOPPLILKAKX-UHFFFAOYSA-N 1 2 224.308 0.909 20 0 BCADLO c1cc(C[N@@H+]2CCc3c[nH]nc3C2)n[nH]1 ZINC000678275867 488235540 /nfs/dbraw/zinc/23/55/40/488235540.db2.gz HWQSSFSSWLMPCG-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1cc(C[N@H+]2CCc3c[nH]nc3C2)n[nH]1 ZINC000678275867 488235544 /nfs/dbraw/zinc/23/55/44/488235544.db2.gz HWQSSFSSWLMPCG-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1cc(C[N@@H+]2CCc3cn[nH]c3C2)n[nH]1 ZINC000678275867 488235547 /nfs/dbraw/zinc/23/55/47/488235547.db2.gz HWQSSFSSWLMPCG-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO c1cc(C[N@H+]2CCc3cn[nH]c3C2)n[nH]1 ZINC000678275867 488235551 /nfs/dbraw/zinc/23/55/51/488235551.db2.gz HWQSSFSSWLMPCG-UHFFFAOYSA-N 1 2 203.249 0.691 20 0 BCADLO Cc1nc(C)c(C[NH+]2CCN(CCO)CC2)o1 ZINC000683897020 488238805 /nfs/dbraw/zinc/23/88/05/488238805.db2.gz JBXUJKMJHBCBPC-UHFFFAOYSA-N 1 2 239.319 0.401 20 0 BCADLO Cn1cnc(C[N@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000683900573 488238980 /nfs/dbraw/zinc/23/89/80/488238980.db2.gz ZJRJZSCCRNGOEM-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1cnc(C[N@@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000683900573 488238981 /nfs/dbraw/zinc/23/89/81/488238981.db2.gz ZJRJZSCCRNGOEM-UHFFFAOYSA-N 1 2 236.319 0.650 20 0 BCADLO CC(C)[C@@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000683897392 488239432 /nfs/dbraw/zinc/23/94/32/488239432.db2.gz BEGDYLBBIKXCCW-LLVKDONJSA-N 1 2 236.319 0.377 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnns1 ZINC000672158258 488240141 /nfs/dbraw/zinc/24/01/41/488240141.db2.gz UQKJHKTXVUVDKE-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146901 488240718 /nfs/dbraw/zinc/24/07/18/488240718.db2.gz VLFLKHFUJUYEKV-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCc2cncn2C1 ZINC000672147611 488241138 /nfs/dbraw/zinc/24/11/38/488241138.db2.gz RGVWGTBDXHYONR-SNVBAGLBSA-N 1 2 245.286 0.211 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(O)CCCC1 ZINC000672149887 488242089 /nfs/dbraw/zinc/24/20/89/488242089.db2.gz ZRWABZYIWJTVRG-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO O=C(C[C@H]1CCOC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150979 488242147 /nfs/dbraw/zinc/24/21/47/488242147.db2.gz LGWSPCQFROXKKD-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO O=C(COCC1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154096 488242380 /nfs/dbraw/zinc/24/23/80/488242380.db2.gz FADFQFXRZLNJEF-LLVKDONJSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)co1 ZINC000672157369 488242526 /nfs/dbraw/zinc/24/25/26/488242526.db2.gz BTMQNPZASIJGJA-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO Cc1ncc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000672156424 488242656 /nfs/dbraw/zinc/24/26/56/488242656.db2.gz LSSSZCITGBZGNN-SECBINFHSA-N 1 2 245.286 0.659 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCOC1 ZINC000672156413 488242793 /nfs/dbraw/zinc/24/27/93/488242793.db2.gz OGTQQRKFNDUONW-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000678346115 488244121 /nfs/dbraw/zinc/24/41/21/488244121.db2.gz OSRBFWAXNWNYSI-SNVBAGLBSA-N 1 2 239.319 0.939 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H](CO)CC1CC1 ZINC000678388462 488250211 /nfs/dbraw/zinc/25/02/11/488250211.db2.gz UVJFOCBNRWUXBM-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@H](O)C1CC1 ZINC000672545297 488258818 /nfs/dbraw/zinc/25/88/18/488258818.db2.gz LPATZVMAYQOSQX-WPRPVWTQSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000672545297 488258821 /nfs/dbraw/zinc/25/88/21/488258821.db2.gz LPATZVMAYQOSQX-WPRPVWTQSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC000684069106 488259649 /nfs/dbraw/zinc/25/96/49/488259649.db2.gz HMDNKKVNUQVDAD-TUAOUCFPSA-N 1 2 240.347 0.822 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CCCC(=O)N2)c[nH+]1 ZINC000684076243 488260158 /nfs/dbraw/zinc/26/01/58/488260158.db2.gz HPHFUJATVDNBOY-MRVPVSSYSA-N 1 2 236.275 0.117 20 0 BCADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cnn(C)c1 ZINC000678593584 488269429 /nfs/dbraw/zinc/26/94/29/488269429.db2.gz XCAZGSRZJPSUBN-MRVPVSSYSA-N 1 2 247.306 0.592 20 0 BCADLO CC(C)[NH2+][C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000678717521 488278592 /nfs/dbraw/zinc/27/85/92/488278592.db2.gz XXDIKBANBQRANZ-VIFPVBQESA-N 1 2 239.323 0.473 20 0 BCADLO NC(=O)N1CCCN(c2cc[nH+]cc2F)CC1 ZINC000678787571 488283098 /nfs/dbraw/zinc/28/30/98/488283098.db2.gz STVORUKOSKCOKI-UHFFFAOYSA-N 1 2 238.266 0.812 20 0 BCADLO Cc1[nH]nc(C(=O)N(C)CCC[NH+](C)C)c1O ZINC000678866013 488291599 /nfs/dbraw/zinc/29/15/99/488291599.db2.gz MKQRBHIIXBTRLP-UHFFFAOYSA-N 1 2 240.307 0.447 20 0 BCADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)nc1 ZINC000673682527 488303455 /nfs/dbraw/zinc/30/34/55/488303455.db2.gz ITXIUDHITHLLFQ-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000673682064 488303458 /nfs/dbraw/zinc/30/34/58/488303458.db2.gz AJHGFNKIGCIDKL-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000684411937 488309191 /nfs/dbraw/zinc/30/91/91/488309191.db2.gz DTLJKVJIQHKRBJ-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000684411937 488309192 /nfs/dbraw/zinc/30/91/92/488309192.db2.gz DTLJKVJIQHKRBJ-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO Cn1cc(C[NH+]2CC([C@H]3CCOC3)C2)nn1 ZINC000684414910 488309703 /nfs/dbraw/zinc/30/97/03/488309703.db2.gz WGKHDOBTPOBVSX-VIFPVBQESA-N 1 2 222.292 0.283 20 0 BCADLO COCc1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000679133048 488311912 /nfs/dbraw/zinc/31/19/12/488311912.db2.gz BTFHWQOSKWKDRL-VIFPVBQESA-N 1 2 241.291 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000679133048 488311914 /nfs/dbraw/zinc/31/19/14/488311914.db2.gz BTFHWQOSKWKDRL-VIFPVBQESA-N 1 2 241.291 0.419 20 0 BCADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC000673893686 488311925 /nfs/dbraw/zinc/31/19/25/488311925.db2.gz IPRLPHAXPSABIV-JTQLQIEISA-N 1 2 243.351 0.310 20 0 BCADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC000673893686 488311927 /nfs/dbraw/zinc/31/19/27/488311927.db2.gz IPRLPHAXPSABIV-JTQLQIEISA-N 1 2 243.351 0.310 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@H]1F ZINC000679221324 488319447 /nfs/dbraw/zinc/31/94/47/488319447.db2.gz GIGUNUCAHACFQM-DTWKUNHWSA-N 1 2 243.282 0.218 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1F ZINC000679221324 488319448 /nfs/dbraw/zinc/31/94/48/488319448.db2.gz GIGUNUCAHACFQM-DTWKUNHWSA-N 1 2 243.282 0.218 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226218 488321741 /nfs/dbraw/zinc/32/17/41/488321741.db2.gz ZRIIBSBMGGOQNT-GHMZBOCLSA-N 1 2 246.326 0.819 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226218 488321743 /nfs/dbraw/zinc/32/17/43/488321743.db2.gz ZRIIBSBMGGOQNT-GHMZBOCLSA-N 1 2 246.326 0.819 20 0 BCADLO Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)nc[nH+]1 ZINC000684603444 488331145 /nfs/dbraw/zinc/33/11/45/488331145.db2.gz YRJVANFQLSYGJY-QWRGUYRKSA-N 1 2 237.303 0.842 20 0 BCADLO CC(=O)N(C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684853160 488349284 /nfs/dbraw/zinc/34/92/84/488349284.db2.gz GMHOSHZUUMWVNR-UHFFFAOYSA-N 1 2 246.270 0.751 20 0 BCADLO CN(C[C@H](O)CO)c1cc[nH+]c(C(C)(C)C)n1 ZINC000679425512 488351864 /nfs/dbraw/zinc/35/18/64/488351864.db2.gz XBLVAIIDUNEFEY-VIFPVBQESA-N 1 2 239.319 0.564 20 0 BCADLO CCNC(=O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679636731 488361078 /nfs/dbraw/zinc/36/10/78/488361078.db2.gz UJMXLPBTJGBVHW-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNc1ccc(F)cn1 ZINC000341980836 490097794 /nfs/dbraw/zinc/09/77/94/490097794.db2.gz CNPOTAXWXFFYCN-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNc1ccc(F)cn1 ZINC000341980836 490097796 /nfs/dbraw/zinc/09/77/96/490097796.db2.gz CNPOTAXWXFFYCN-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000122578984 490153801 /nfs/dbraw/zinc/15/38/01/490153801.db2.gz NWDOZJLSJFVBFE-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000122578984 490153809 /nfs/dbraw/zinc/15/38/09/490153809.db2.gz NWDOZJLSJFVBFE-LLVKDONJSA-N 1 2 234.303 0.529 20 0 BCADLO CCC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653888316 490154594 /nfs/dbraw/zinc/15/45/94/490154594.db2.gz NDEUKJIYLMIRRY-VIFPVBQESA-N 1 2 213.281 0.971 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653888316 490154600 /nfs/dbraw/zinc/15/46/00/490154600.db2.gz NDEUKJIYLMIRRY-VIFPVBQESA-N 1 2 213.281 0.971 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cn1cc[nH+]c1 ZINC000669017747 490167867 /nfs/dbraw/zinc/16/78/67/490167867.db2.gz FYXUXXLBDIPFST-NNYUYHANSA-N 1 2 249.314 0.528 20 0 BCADLO Cc1cc(NCC[C@@]2(O)CCOC2)nc[nH+]1 ZINC000404156384 490225107 /nfs/dbraw/zinc/22/51/07/490225107.db2.gz UDXUZVJJTKNKRE-LLVKDONJSA-N 1 2 223.276 0.160 20 0 BCADLO Cc1cc(NCCc2nc[nH]n2)nc(C)[nH+]1 ZINC000070646477 490230177 /nfs/dbraw/zinc/23/01/77/490230177.db2.gz SUHHMMVXQIAEAD-UHFFFAOYSA-N 1 2 218.264 0.866 20 0 BCADLO CC(C)CCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820020 490238417 /nfs/dbraw/zinc/23/84/17/490238417.db2.gz XDTDVOWADKPOAW-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO Cn1cc[nH+]c1CNc1nccn(C2CC2)c1=O ZINC000071274332 490260373 /nfs/dbraw/zinc/26/03/73/490260373.db2.gz MAJMVYTZDMESLQ-UHFFFAOYSA-N 1 2 245.286 0.924 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)N1CCCC1 ZINC000335124763 490388857 /nfs/dbraw/zinc/38/88/57/490388857.db2.gz KFWCEXHWNKJPMS-NEPJUHHUSA-N 1 2 238.331 0.862 20 0 BCADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)N1CCCC1 ZINC000335124763 490388862 /nfs/dbraw/zinc/38/88/62/490388862.db2.gz KFWCEXHWNKJPMS-NEPJUHHUSA-N 1 2 238.331 0.862 20 0 BCADLO CN(CCO)c1ccc(NCc2ncc[nH]2)[nH+]c1 ZINC000305175424 490446645 /nfs/dbraw/zinc/44/66/45/490446645.db2.gz GDMTWQZUXKMQSQ-UHFFFAOYSA-N 1 2 247.302 0.845 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C[C@@H](O)C1CC1 ZINC000305216762 490448754 /nfs/dbraw/zinc/44/87/54/490448754.db2.gz IKTKELOAJLSYFW-SECBINFHSA-N 1 2 222.292 0.262 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C[C@@H](O)C1CC1 ZINC000305216762 490448760 /nfs/dbraw/zinc/44/87/60/490448760.db2.gz IKTKELOAJLSYFW-SECBINFHSA-N 1 2 222.292 0.262 20 0 BCADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000074828063 490505270 /nfs/dbraw/zinc/50/52/70/490505270.db2.gz MXRKYFJIRXMPQO-UHFFFAOYSA-N 1 2 237.284 0.888 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H](COC)OC ZINC000668746856 490653372 /nfs/dbraw/zinc/65/33/72/490653372.db2.gz XTNSBYZDANYCFB-NSHDSACASA-N 1 2 238.287 0.666 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(CCC(C)C)nn1 ZINC000594649460 491077074 /nfs/dbraw/zinc/07/70/74/491077074.db2.gz OXBWWFREAUXPKY-SNVBAGLBSA-N 1 2 240.307 0.367 20 0 BCADLO CC(C)OCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000086559652 491063066 /nfs/dbraw/zinc/06/30/66/491063066.db2.gz FANKIGOQOSQXPS-UHFFFAOYSA-N 1 2 247.320 0.254 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000228101308 491089812 /nfs/dbraw/zinc/08/98/12/491089812.db2.gz YCCWHXFYBWACAY-IVZWLZJFSA-N 1 2 223.276 0.581 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000228101308 491089813 /nfs/dbraw/zinc/08/98/13/491089813.db2.gz YCCWHXFYBWACAY-IVZWLZJFSA-N 1 2 223.276 0.581 20 0 BCADLO C[C@@H](O)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228128891 491090860 /nfs/dbraw/zinc/09/08/60/491090860.db2.gz YGBRTEYUBDBOGP-JGVFFNPUSA-N 1 2 235.291 0.935 20 0 BCADLO C[C@H](O)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228128899 491090863 /nfs/dbraw/zinc/09/08/63/491090863.db2.gz YGBRTEYUBDBOGP-YUMQZZPRSA-N 1 2 235.291 0.935 20 0 BCADLO C[N@H+](CCCO)Cc1nnc2ccccn21 ZINC000081009775 491096878 /nfs/dbraw/zinc/09/68/78/491096878.db2.gz JFYWYPPCAFBNIQ-UHFFFAOYSA-N 1 2 220.276 0.544 20 0 BCADLO C[N@@H+](CCCO)Cc1nnc2ccccn21 ZINC000081009775 491096879 /nfs/dbraw/zinc/09/68/79/491096879.db2.gz JFYWYPPCAFBNIQ-UHFFFAOYSA-N 1 2 220.276 0.544 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2c[nH+]cn2C)o1 ZINC000521701147 491101838 /nfs/dbraw/zinc/10/18/38/491101838.db2.gz BGUOGVOKNQPUSR-UHFFFAOYSA-N 1 2 234.259 0.955 20 0 BCADLO CCn1ncnc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000088591050 491106638 /nfs/dbraw/zinc/10/66/38/491106638.db2.gz GUJCCWKMCIGBMP-SNVBAGLBSA-N 1 2 235.335 0.624 20 0 BCADLO Cc1nc(NCCCc2c[nH][nH]c2=O)cc[nH+]1 ZINC000631362285 491108608 /nfs/dbraw/zinc/10/86/08/491108608.db2.gz SSFGVXFCVDIUAZ-VIFPVBQESA-N 1 2 233.275 0.709 20 0 BCADLO Cc1nc(NCCC(=O)Nc2ncc[nH]2)cc[nH+]1 ZINC000643611463 491108676 /nfs/dbraw/zinc/10/86/76/491108676.db2.gz QYFRBPBCTPPZIX-UHFFFAOYSA-N 1 2 246.274 0.949 20 0 BCADLO CCc1cc(NC[C@@]2(O)CCOC2)nc[nH+]1 ZINC000229623662 491117025 /nfs/dbraw/zinc/11/70/25/491117025.db2.gz VXJUTWZOYGZKTK-NSHDSACASA-N 1 2 223.276 0.602 20 0 BCADLO Cn1ncnc1C[N@H+](C)CCc1ccncc1 ZINC000075024682 491124546 /nfs/dbraw/zinc/12/45/46/491124546.db2.gz BOYURWMULOQOQU-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CCc1ccncc1 ZINC000075024682 491124547 /nfs/dbraw/zinc/12/45/47/491124547.db2.gz BOYURWMULOQOQU-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cn[nH]c2)C1 ZINC000309316535 491146796 /nfs/dbraw/zinc/14/67/96/491146796.db2.gz NYQOTWTUMGTPGH-MRVPVSSYSA-N 1 2 235.209 0.909 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000309316535 491146797 /nfs/dbraw/zinc/14/67/97/491146797.db2.gz NYQOTWTUMGTPGH-MRVPVSSYSA-N 1 2 235.209 0.909 20 0 BCADLO CC(C)N1CC[C@H]([NH2+]Cc2ccon2)C1=O ZINC000309643696 491153421 /nfs/dbraw/zinc/15/34/21/491153421.db2.gz VJHXABSCZMCQOW-JTQLQIEISA-N 1 2 223.276 0.774 20 0 BCADLO C[C@H]([NH2+]Cc1cocn1)[C@H]1CN(C)CCO1 ZINC000309813887 491157184 /nfs/dbraw/zinc/15/71/84/491157184.db2.gz UXQNLUYTABORAB-GXSJLCMTSA-N 1 2 225.292 0.483 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C(C)(C)CO ZINC000133755298 491160360 /nfs/dbraw/zinc/16/03/60/491160360.db2.gz RGLAKMUDXKOIHY-UHFFFAOYSA-N 1 2 226.324 0.891 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@@H](O)C1CC1 ZINC000890722910 582515960 /nfs/dbraw/zinc/51/59/60/582515960.db2.gz IZFXBCAUUIAZSA-LLVKDONJSA-N 1 2 237.303 0.550 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000493211686 533794097 /nfs/dbraw/zinc/79/40/97/533794097.db2.gz RADTXQOGIWQWEK-RFXMVYNHSA-N 1 2 237.390 0.163 20 0 BCADLO CSC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000493211686 533794115 /nfs/dbraw/zinc/79/41/15/533794115.db2.gz RADTXQOGIWQWEK-RFXMVYNHSA-N 1 2 237.390 0.163 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NC/C=C\Cl ZINC000891198735 582626232 /nfs/dbraw/zinc/62/62/32/582626232.db2.gz MAZDHMOTPOWNQD-TZFCGSKZSA-N 1 2 244.722 0.744 20 0 BCADLO Cc1c(CNC(=O)C=Cc2c[nH]c[nH+]2)cnn1C ZINC000492813238 533847582 /nfs/dbraw/zinc/84/75/82/533847582.db2.gz OYTUISGDLXUXBY-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC/C=C/Cl ZINC000891204364 582630134 /nfs/dbraw/zinc/63/01/34/582630134.db2.gz DYIFRNGQMUFFPQ-NWALNABHSA-N 1 2 232.711 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC/C=C/Cl ZINC000891204364 582630135 /nfs/dbraw/zinc/63/01/35/582630135.db2.gz DYIFRNGQMUFFPQ-NWALNABHSA-N 1 2 232.711 0.576 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493814512 533906378 /nfs/dbraw/zinc/90/63/78/533906378.db2.gz DXTPDXJOKVKJRC-WKOZCWFTSA-N 1 2 235.243 0.243 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725803 533944187 /nfs/dbraw/zinc/94/41/87/533944187.db2.gz GFJBQPCYQLLEKS-IUCAKERBSA-N 1 2 226.276 0.348 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCC1=O ZINC000495725803 533944201 /nfs/dbraw/zinc/94/42/01/533944201.db2.gz GFJBQPCYQLLEKS-IUCAKERBSA-N 1 2 226.276 0.348 20 0 BCADLO C[C@H](CCO)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493812489 533951584 /nfs/dbraw/zinc/95/15/84/533951584.db2.gz BSYQSQWLVKXOJQ-PBKGFPTLSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348098527 535583620 /nfs/dbraw/zinc/58/36/20/535583620.db2.gz UACBTUOYKDLYOT-SFYZADRCSA-N 1 2 240.307 0.943 20 0 BCADLO COC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000493875090 534006478 /nfs/dbraw/zinc/00/64/78/534006478.db2.gz XECCAZVMXOQLTM-UHFFFAOYSA-N 1 2 224.264 0.294 20 0 BCADLO C[C@H]1COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493368604 534023881 /nfs/dbraw/zinc/02/38/81/534023881.db2.gz LSFBLWUYUWGBFN-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000488442199 534062183 /nfs/dbraw/zinc/06/21/83/534062183.db2.gz DXQVRZXVLSFMQH-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000488442199 534062189 /nfs/dbraw/zinc/06/21/89/534062189.db2.gz DXQVRZXVLSFMQH-QMMMGPOBSA-N 1 2 248.277 0.746 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774979 534064488 /nfs/dbraw/zinc/06/44/88/534064488.db2.gz XLDQWPCNUVQRGU-FWNCORBQSA-N 1 2 248.286 0.064 20 0 BCADLO COC(=O)NCCC(=O)OCc1c[nH+]cn1C ZINC000496269542 534084835 /nfs/dbraw/zinc/08/48/35/534084835.db2.gz AEEGCICUPXBPIB-UHFFFAOYSA-N 1 2 241.247 0.209 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775598 534099300 /nfs/dbraw/zinc/09/93/00/534099300.db2.gz YHFJNWWRGNJDJC-HIYAPSCVSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@@H](CO)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493196564 534113442 /nfs/dbraw/zinc/11/34/42/534113442.db2.gz WUYBUDYAJJIZCG-RTMURIBGSA-N 1 2 209.249 0.262 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497077095 534227467 /nfs/dbraw/zinc/22/74/67/534227467.db2.gz NFUUAMZCEXJOKU-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497077095 534227470 /nfs/dbraw/zinc/22/74/70/534227470.db2.gz NFUUAMZCEXJOKU-RKDXNWHRSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493618642 534228142 /nfs/dbraw/zinc/22/81/42/534228142.db2.gz NDFYVDNYYRRBQS-KGGZQZJCSA-N 1 2 223.232 0.101 20 0 BCADLO C[C@@H](Cn1cncn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903486 534272528 /nfs/dbraw/zinc/27/25/28/534272528.db2.gz TUODHRGXOMIGQK-HPOULIHZSA-N 1 2 246.274 0.219 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1O ZINC000492889684 534277041 /nfs/dbraw/zinc/27/70/41/534277041.db2.gz BBICYNLCHUJNRE-WUIHGDLDSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1O ZINC000492889683 534275040 /nfs/dbraw/zinc/27/50/40/534275040.db2.gz BBICYNLCHUJNRE-ONKIFHLLSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493545324 534275764 /nfs/dbraw/zinc/27/57/64/534275764.db2.gz CMTNTKKNDZGVEE-GKQMSVHHSA-N 1 2 221.260 0.670 20 0 BCADLO Cn1nnc(C[NH2+]C2CC(OC(C)(C)C)C2)n1 ZINC000494385379 534333251 /nfs/dbraw/zinc/33/32/51/534333251.db2.gz MLQFOLJAWHQAQM-UHFFFAOYSA-N 1 2 239.323 0.646 20 0 BCADLO Cc1ccnc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000471882201 534381668 /nfs/dbraw/zinc/38/16/68/534381668.db2.gz GGJYAWWHACYCOB-UHFFFAOYSA-N 1 2 246.314 0.705 20 0 BCADLO NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493234360 534422967 /nfs/dbraw/zinc/42/29/67/534422967.db2.gz DLXNMYDJTUQKRX-WBSSQXGSSA-N 1 2 248.286 0.289 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000892240050 582811210 /nfs/dbraw/zinc/81/12/10/582811210.db2.gz CNPBDALJBPWVBY-LLVKDONJSA-N 1 2 236.319 0.532 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)c(C)n1 ZINC000892240050 582811212 /nfs/dbraw/zinc/81/12/12/582811212.db2.gz CNPBDALJBPWVBY-LLVKDONJSA-N 1 2 236.319 0.532 20 0 BCADLO O=C(NCCn1cc[nH+]c1)OC1CCOCC1 ZINC000495734502 534519694 /nfs/dbraw/zinc/51/96/94/534519694.db2.gz NZXBVECSNGFPIN-UHFFFAOYSA-N 1 2 239.275 0.788 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccncn1 ZINC000487635551 534519782 /nfs/dbraw/zinc/51/97/82/534519782.db2.gz XQSXPCAJOZITEB-UHFFFAOYSA-N 1 2 217.232 0.103 20 0 BCADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)O ZINC000890463656 582849173 /nfs/dbraw/zinc/84/91/73/582849173.db2.gz REZHGWAVACBYTN-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)CCn1cc[nH+]c1 ZINC000889349023 582858065 /nfs/dbraw/zinc/85/80/65/582858065.db2.gz IFLDOCGXVKFQSK-QWRGUYRKSA-N 1 2 237.303 0.909 20 0 BCADLO Cc1cnn(CCNC(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000493118873 534742208 /nfs/dbraw/zinc/74/22/08/534742208.db2.gz FZHOGQCORCPEOZ-NSCUHMNNSA-N 1 2 245.286 0.744 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(CO)CCCC1 ZINC000493349382 534785794 /nfs/dbraw/zinc/78/57/94/534785794.db2.gz HGCNMXMYPRZMCQ-ONEGZZNKSA-N 1 2 235.287 0.844 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1CO ZINC000493438026 534786561 /nfs/dbraw/zinc/78/65/61/534786561.db2.gz ZCDYJASMNOXXHN-NWALNABHSA-N 1 2 221.260 0.406 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cnccc1CO ZINC000492815729 534804852 /nfs/dbraw/zinc/80/48/52/534804852.db2.gz XSUHOMXPGZVBST-UPHRSURJSA-N 1 2 244.254 0.949 20 0 BCADLO O=C1OCC[C@@H]2C[N@H+](Cc3cncnc3)CCN12 ZINC000494362588 534812166 /nfs/dbraw/zinc/81/21/66/534812166.db2.gz IHHFJDLWKGCMCV-LLVKDONJSA-N 1 2 248.286 0.503 20 0 BCADLO O=C1OCC[C@@H]2C[N@@H+](Cc3cncnc3)CCN12 ZINC000494362588 534812173 /nfs/dbraw/zinc/81/21/73/534812173.db2.gz IHHFJDLWKGCMCV-LLVKDONJSA-N 1 2 248.286 0.503 20 0 BCADLO O=C1OCC[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000494084476 534815366 /nfs/dbraw/zinc/81/53/66/534815366.db2.gz AOANYDUYQUHGHX-VIFPVBQESA-N 1 2 236.275 0.436 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cncnc3)CCN12 ZINC000494556349 534817546 /nfs/dbraw/zinc/81/75/46/534817546.db2.gz VFSKPILOSAXXLA-JTQLQIEISA-N 1 2 234.259 0.113 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cncnc3)CCN12 ZINC000494556349 534817552 /nfs/dbraw/zinc/81/75/52/534817552.db2.gz VFSKPILOSAXXLA-JTQLQIEISA-N 1 2 234.259 0.113 20 0 BCADLO C/C=C\C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492899420 526325451 /nfs/dbraw/zinc/32/54/51/526325451.db2.gz MIPWPFNXKSFBET-BXLAQECGSA-N 1 2 235.287 0.866 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CF)C1 ZINC000334277449 536440072 /nfs/dbraw/zinc/44/00/72/536440072.db2.gz DLEVFZABFSRAJX-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CF)C1 ZINC000334277449 536440074 /nfs/dbraw/zinc/44/00/74/536440074.db2.gz DLEVFZABFSRAJX-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2cnc(C)cn2)CC1 ZINC000505615296 526560675 /nfs/dbraw/zinc/56/06/75/526560675.db2.gz SJZJLYCVRFCQCN-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2cnc(C)cn2)CC1 ZINC000505615296 526560679 /nfs/dbraw/zinc/56/06/79/526560679.db2.gz SJZJLYCVRFCQCN-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000335664934 536452821 /nfs/dbraw/zinc/45/28/21/536452821.db2.gz YWRIGZTYXGBXIW-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000335664934 536452822 /nfs/dbraw/zinc/45/28/22/536452822.db2.gz YWRIGZTYXGBXIW-VXGBXAGGSA-N 1 2 238.331 0.718 20 0 BCADLO CC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493621017 526602982 /nfs/dbraw/zinc/60/29/82/526602982.db2.gz RIFVGKWJSXHRBF-IHWYPQMZSA-N 1 2 248.286 0.114 20 0 BCADLO CC(C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492761459 527057769 /nfs/dbraw/zinc/05/77/69/527057769.db2.gz GEMIFXYODLMIJN-ARJAWSKDSA-N 1 2 223.276 0.700 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000496802811 527725934 /nfs/dbraw/zinc/72/59/34/527725934.db2.gz JVOKCXJJMIZAEW-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000496802811 527725935 /nfs/dbraw/zinc/72/59/35/527725935.db2.gz JVOKCXJJMIZAEW-BDAKNGLRSA-N 1 2 244.291 0.320 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000459368896 527726483 /nfs/dbraw/zinc/72/64/83/527726483.db2.gz DNMHVTQYBAFHSY-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000459368896 527726486 /nfs/dbraw/zinc/72/64/86/527726486.db2.gz DNMHVTQYBAFHSY-SECBINFHSA-N 1 2 225.292 0.836 20 0 BCADLO CC(C)CN(C(=O)C[N@H+](C)CC(N)=O)C1CC1 ZINC000505511100 527892437 /nfs/dbraw/zinc/89/24/37/527892437.db2.gz AECHDZNCPZYATQ-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CC(C)CN(C(=O)C[N@@H+](C)CC(N)=O)C1CC1 ZINC000505511100 527892449 /nfs/dbraw/zinc/89/24/49/527892449.db2.gz AECHDZNCPZYATQ-UHFFFAOYSA-N 1 2 241.335 0.051 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351949718 536525685 /nfs/dbraw/zinc/52/56/85/536525685.db2.gz AAFMZOZLNDKKNV-HLTSFMKQSA-N 1 2 241.291 0.590 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351949718 536525691 /nfs/dbraw/zinc/52/56/91/536525691.db2.gz AAFMZOZLNDKKNV-HLTSFMKQSA-N 1 2 241.291 0.590 20 0 BCADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)COC1 ZINC000493825596 527933680 /nfs/dbraw/zinc/93/36/80/527933680.db2.gz QFSVOQDQGLMMST-NSCUHMNNSA-N 1 2 221.260 0.576 20 0 BCADLO CCN(CC(=O)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808476 527934426 /nfs/dbraw/zinc/93/44/26/527934426.db2.gz CWAPJBWRERQSMF-PLNGDYQASA-N 1 2 237.259 0.444 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493148833 528470588 /nfs/dbraw/zinc/47/05/88/528470588.db2.gz JGJYXPJKZJZQQN-HMDXOVGESA-N 1 2 237.303 0.804 20 0 BCADLO CC(C)[C@@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791385 528470909 /nfs/dbraw/zinc/47/09/09/528470909.db2.gz AQMRQGXYGGNSQJ-HMDXOVGESA-N 1 2 237.303 0.804 20 0 BCADLO CCO/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493100687 528496170 /nfs/dbraw/zinc/49/61/70/528496170.db2.gz BIJZWDQHOFHDQY-CYNONHLPSA-N 1 2 235.287 0.933 20 0 BCADLO CCOC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493100687 528496177 /nfs/dbraw/zinc/49/61/77/528496177.db2.gz BIJZWDQHOFHDQY-CYNONHLPSA-N 1 2 235.287 0.933 20 0 BCADLO CCO/C=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000493595045 528531255 /nfs/dbraw/zinc/53/12/55/528531255.db2.gz SGJFKGPITXQXLR-IBHLPDHGSA-N 1 2 242.319 0.374 20 0 BCADLO CCO/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000493425444 528536738 /nfs/dbraw/zinc/53/67/38/528536738.db2.gz TWJMOFDWGOXTCC-ISGFRBBESA-N 1 2 223.276 0.938 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493531274 528618464 /nfs/dbraw/zinc/61/84/64/528618464.db2.gz SYOJBTPPTCEULX-UFFNRZRYSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)[C@@H](O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493180880 528618742 /nfs/dbraw/zinc/61/87/42/528618742.db2.gz BHUWNSWBBCKSNF-FSIBCCDJSA-N 1 2 237.303 0.946 20 0 BCADLO CCOC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492911521 528811882 /nfs/dbraw/zinc/81/18/82/528811882.db2.gz MCACOPDJLYSHHO-ARJAWSKDSA-N 1 2 223.232 0.102 20 0 BCADLO CC(C)N(CC(N)=O)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493105411 528866537 /nfs/dbraw/zinc/86/65/37/528866537.db2.gz LSIDPTMMBIFBQB-ARJAWSKDSA-N 1 2 236.275 0.145 20 0 BCADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCNC1=O ZINC000493479345 528907338 /nfs/dbraw/zinc/90/73/38/528907338.db2.gz ISCBPPFPHAREJD-CDAZIORVSA-N 1 2 248.286 0.160 20 0 BCADLO CCN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@@H](C)CO ZINC000493294333 528911539 /nfs/dbraw/zinc/91/15/39/528911539.db2.gz WGOCDJLIOSNDBV-WBSSQXGSSA-N 1 2 223.276 0.652 20 0 BCADLO CC[C@H]1C[N@H+](CC(N)=O)[C@@H](CC)CN1C(C)=O ZINC000472332392 529285094 /nfs/dbraw/zinc/28/50/94/529285094.db2.gz WKMQQAGJOCFRLE-QWRGUYRKSA-N 1 2 241.335 0.193 20 0 BCADLO CC[C@H]1C[N@@H+](CC(N)=O)[C@@H](CC)CN1C(C)=O ZINC000472332392 529285096 /nfs/dbraw/zinc/28/50/96/529285096.db2.gz WKMQQAGJOCFRLE-QWRGUYRKSA-N 1 2 241.335 0.193 20 0 BCADLO CC[C@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000496293722 529295344 /nfs/dbraw/zinc/29/53/44/529295344.db2.gz MWSOQCZMNAZSQH-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000496293722 529295345 /nfs/dbraw/zinc/29/53/45/529295345.db2.gz MWSOQCZMNAZSQH-UWVGGRQHSA-N 1 2 228.292 0.548 20 0 BCADLO CC(C)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000174791192 535200957 /nfs/dbraw/zinc/20/09/57/535200957.db2.gz PEXFSUOQTXJHEI-LBPRGKRZSA-N 1 2 239.363 0.681 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000334411584 535260398 /nfs/dbraw/zinc/26/03/98/535260398.db2.gz NHEHGUMHHMWSHQ-JTQLQIEISA-N 1 2 214.309 0.431 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000334411584 535260401 /nfs/dbraw/zinc/26/04/01/535260401.db2.gz NHEHGUMHHMWSHQ-JTQLQIEISA-N 1 2 214.309 0.431 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1cnc(C)nc1 ZINC000351849516 535279266 /nfs/dbraw/zinc/27/92/66/535279266.db2.gz DUHCXVWIWUWHAU-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CC(C)=C(F)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178977180 535340797 /nfs/dbraw/zinc/34/07/97/535340797.db2.gz RVCQKEDOZGICKH-SNVBAGLBSA-N 1 2 241.310 0.366 20 0 BCADLO CC(C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173835419 535374223 /nfs/dbraw/zinc/37/42/23/535374223.db2.gz CMZYOQRXTKPLTN-NWDGAFQWSA-N 1 2 240.347 0.822 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCN1CCOCC1 ZINC000171858859 535441907 /nfs/dbraw/zinc/44/19/07/535441907.db2.gz WYOKYHSQSQRVCL-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCN1CCOCC1 ZINC000171858859 535441915 /nfs/dbraw/zinc/44/19/15/535441915.db2.gz WYOKYHSQSQRVCL-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@@H](C(=O)OC)N(C)CC[NH+]1CCOCC1 ZINC000171858859 535441918 /nfs/dbraw/zinc/44/19/18/535441918.db2.gz WYOKYHSQSQRVCL-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000334304982 535443964 /nfs/dbraw/zinc/44/39/64/535443964.db2.gz DPRUFDOIDBVUNS-UHFFFAOYSA-N 1 2 232.349 0.553 20 0 BCADLO CCOCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000084193913 535493943 /nfs/dbraw/zinc/49/39/43/535493943.db2.gz CVTOZKYWTXFBHO-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO CCOCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000084193913 535493945 /nfs/dbraw/zinc/49/39/45/535493945.db2.gz CVTOZKYWTXFBHO-UHFFFAOYSA-N 1 2 211.265 0.843 20 0 BCADLO CCC[C@@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000335697969 535532750 /nfs/dbraw/zinc/53/27/50/535532750.db2.gz PABFWWHVVHXVTJ-LLVKDONJSA-N 1 2 214.309 0.312 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348361311 535575729 /nfs/dbraw/zinc/57/57/29/535575729.db2.gz AIFSEJURKPLBLW-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348361311 535575737 /nfs/dbraw/zinc/57/57/37/535575737.db2.gz AIFSEJURKPLBLW-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348809437 535584124 /nfs/dbraw/zinc/58/41/24/535584124.db2.gz OPNWPRJQLKVBJO-GHMZBOCLSA-N 1 2 242.367 0.330 20 0 BCADLO CC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348809437 535584128 /nfs/dbraw/zinc/58/41/28/535584128.db2.gz OPNWPRJQLKVBJO-GHMZBOCLSA-N 1 2 242.367 0.330 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(C(=O)OC)CC1 ZINC000049947269 535624136 /nfs/dbraw/zinc/62/41/36/535624136.db2.gz BZSXJDPIRSDMMN-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348192475 535650045 /nfs/dbraw/zinc/65/00/45/535650045.db2.gz ZUNNYSJMCDFBMB-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348192475 535650048 /nfs/dbraw/zinc/65/00/48/535650048.db2.gz ZUNNYSJMCDFBMB-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO CCN1CC[N@H+](CC2=CCCOC2)[C@H](C)C1=O ZINC000336116816 535674059 /nfs/dbraw/zinc/67/40/59/535674059.db2.gz ULIITTLHPNBZMW-LLVKDONJSA-N 1 2 238.331 0.886 20 0 BCADLO CCN1CC[N@@H+](CC2=CCCOC2)[C@H](C)C1=O ZINC000336116816 535674062 /nfs/dbraw/zinc/67/40/62/535674062.db2.gz ULIITTLHPNBZMW-LLVKDONJSA-N 1 2 238.331 0.886 20 0 BCADLO CCC[C@H]([NH2+]CCCNC(C)=O)C(=O)OCC ZINC000173884408 535703633 /nfs/dbraw/zinc/70/36/33/535703633.db2.gz GJZHBZHUQYPXBN-NSHDSACASA-N 1 2 244.335 0.834 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335907599 535721297 /nfs/dbraw/zinc/72/12/97/535721297.db2.gz GYPBKGGBBWYABB-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335907599 535721301 /nfs/dbraw/zinc/72/13/01/535721301.db2.gz GYPBKGGBBWYABB-GHMZBOCLSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335697391 535721702 /nfs/dbraw/zinc/72/17/02/535721702.db2.gz OVBUCJWRSXFYKK-QLJPJBMISA-N 1 2 246.376 0.165 20 0 BCADLO 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ULMPAQAKSCGITP-ZJUUUORDSA-N 1 2 237.303 0.978 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000854337140 588784669 /nfs/dbraw/zinc/78/46/69/588784669.db2.gz ULMPAQAKSCGITP-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO C/C=C(/C)C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353249 588784798 /nfs/dbraw/zinc/78/47/98/588784798.db2.gz UOCWYVRYNFLKMO-CTPBAPBTSA-N 1 2 237.347 0.459 20 0 BCADLO C/C=C(/C)C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353249 588784799 /nfs/dbraw/zinc/78/47/99/588784799.db2.gz UOCWYVRYNFLKMO-CTPBAPBTSA-N 1 2 237.347 0.459 20 0 BCADLO C/C=C(/C)C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353251 588784901 /nfs/dbraw/zinc/78/49/01/588784901.db2.gz UOCWYVRYNFLKMO-LCKPPEIMSA-N 1 2 237.347 0.459 20 0 BCADLO C/C=C(/C)C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353251 588784902 /nfs/dbraw/zinc/78/49/02/588784902.db2.gz UOCWYVRYNFLKMO-LCKPPEIMSA-N 1 2 237.347 0.459 20 0 BCADLO O=C(C=C1CCC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353201 588784940 /nfs/dbraw/zinc/78/49/40/588784940.db2.gz SSIHARBOYFUTGV-CYBMUJFWSA-N 1 2 249.358 0.603 20 0 BCADLO O=C(C=C1CCC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353201 588784941 /nfs/dbraw/zinc/78/49/41/588784941.db2.gz SSIHARBOYFUTGV-CYBMUJFWSA-N 1 2 249.358 0.603 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854417790 588786161 /nfs/dbraw/zinc/78/61/61/588786161.db2.gz CUNMRUVAYVHQCV-DTORHVGOSA-N 1 2 223.276 0.588 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000854419941 588786229 /nfs/dbraw/zinc/78/62/29/588786229.db2.gz ZMDAPZBODZJYPR-GXSJLCMTSA-N 1 2 248.286 0.479 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2C[C@H]21 ZINC000854419766 588786282 /nfs/dbraw/zinc/78/62/82/588786282.db2.gz IPUJUQQSFVOFIP-DTWKUNHWSA-N 1 2 205.261 0.963 20 0 BCADLO C[C@H]1CSC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854428808 588786669 /nfs/dbraw/zinc/78/66/69/588786669.db2.gz ZEVZZIOTSKEJBK-YUMQZZPRSA-N 1 2 225.317 0.820 20 0 BCADLO C[C@@H]1CSC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854428807 588786774 /nfs/dbraw/zinc/78/67/74/588786774.db2.gz ZEVZZIOTSKEJBK-SFYZADRCSA-N 1 2 225.317 0.820 20 0 BCADLO Cc1ccncc1CC(=O)NCc1c[nH+]cn1C ZINC000854498859 588789478 /nfs/dbraw/zinc/78/94/78/588789478.db2.gz MNMUBINDRHQGBR-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO C[C@@H](CC(=O)N[C@@H]1COC(=O)C1)n1cc[nH+]c1 ZINC000854552958 588793656 /nfs/dbraw/zinc/79/36/56/588793656.db2.gz PTVLWDKPWZIJQB-IUCAKERBSA-N 1 2 237.259 0.266 20 0 BCADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)O ZINC000854662551 588799478 /nfs/dbraw/zinc/79/94/78/588799478.db2.gz DVOVSLFAUABZCI-QMMMGPOBSA-N 1 2 225.292 0.618 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000854684511 588801245 /nfs/dbraw/zinc/80/12/45/588801245.db2.gz AGWRGTQNDNBTPJ-BDAKNGLRSA-N 1 2 234.259 0.609 20 0 BCADLO CCC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854687149 588801509 /nfs/dbraw/zinc/80/15/09/588801509.db2.gz DXRIBOLDMSGCMQ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CC(C)ONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000854753958 588805752 /nfs/dbraw/zinc/80/57/52/588805752.db2.gz IFCKCVKLZJWRRF-VIFPVBQESA-N 1 2 223.276 0.902 20 0 BCADLO CC(C)OC(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854852139 588813319 /nfs/dbraw/zinc/81/33/19/588813319.db2.gz VXGJHEOCSVVHGN-QMMMGPOBSA-N 1 2 239.275 0.409 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CC(C)=NO2)c[nH+]1 ZINC000854797006 588810265 /nfs/dbraw/zinc/81/02/65/588810265.db2.gz QIGXTJSJZOSTAN-MRVPVSSYSA-N 1 2 222.248 0.613 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000854822566 588812122 /nfs/dbraw/zinc/81/21/22/588812122.db2.gz QZJXZBVKWBTRBN-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)O ZINC000854830360 588812507 /nfs/dbraw/zinc/81/25/07/588812507.db2.gz VZHSTGUNIUYXJN-HTQZYQBOSA-N 1 2 211.265 0.228 20 0 BCADLO CC1=NO[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000854843225 588812962 /nfs/dbraw/zinc/81/29/62/588812962.db2.gz ZLJQMLNDKRDQBE-MRVPVSSYSA-N 1 2 236.275 0.926 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C1CCC1 ZINC000854888031 588815676 /nfs/dbraw/zinc/81/56/76/588815676.db2.gz NQPGLDDOZDWGFS-SECBINFHSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000854905224 588816345 /nfs/dbraw/zinc/81/63/45/588816345.db2.gz MEKRNRBLIDHBGZ-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO CCO[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854908452 588816413 /nfs/dbraw/zinc/81/64/13/588816413.db2.gz YXVUQIHRCHALLH-DTORHVGOSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](CF)C1 ZINC000854931344 588816945 /nfs/dbraw/zinc/81/69/45/588816945.db2.gz UHBNWGFIQKYWOG-QMMMGPOBSA-N 1 2 227.239 0.149 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C2CCC2)C1 ZINC000854931277 588817085 /nfs/dbraw/zinc/81/70/85/588817085.db2.gz GNONWDZCUPSBQD-NSHDSACASA-N 1 2 249.314 0.980 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854939209 588817210 /nfs/dbraw/zinc/81/72/10/588817210.db2.gz DWDPBUBKNSVFTP-OCAPTIKFSA-N 1 2 237.259 0.020 20 0 BCADLO Cc1cc(CC(=O)NOCC[NH+](C)C)no1 ZINC000854945283 588818087 /nfs/dbraw/zinc/81/80/87/588818087.db2.gz FCWGJPLPIXGBCG-UHFFFAOYSA-N 1 2 227.264 0.135 20 0 BCADLO C[C@H]1C[C@H](CO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854964971 588819108 /nfs/dbraw/zinc/81/91/08/588819108.db2.gz TYIPOIDEANRXRA-UWVGGRQHSA-N 1 2 237.303 0.429 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CSC(=O)N1 ZINC000855134251 588822685 /nfs/dbraw/zinc/82/26/85/588822685.db2.gz JRSXZVBDNHQHOR-SSDOTTSWSA-N 1 2 240.288 0.193 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CSC(=O)N1 ZINC000855134251 588822686 /nfs/dbraw/zinc/82/26/86/588822686.db2.gz JRSXZVBDNHQHOR-SSDOTTSWSA-N 1 2 240.288 0.193 20 0 BCADLO Cc1nonc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134331 588822793 /nfs/dbraw/zinc/82/27/93/588822793.db2.gz KRFLGYPRFHOEDA-UHFFFAOYSA-N 1 2 221.220 0.373 20 0 BCADLO Cc1nonc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134331 588822794 /nfs/dbraw/zinc/82/27/94/588822794.db2.gz KRFLGYPRFHOEDA-UHFFFAOYSA-N 1 2 221.220 0.373 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000113239477 588827654 /nfs/dbraw/zinc/82/76/54/588827654.db2.gz VAUYKPAHSRRIQJ-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000113239477 588827655 /nfs/dbraw/zinc/82/76/55/588827655.db2.gz VAUYKPAHSRRIQJ-JTQLQIEISA-N 1 2 212.293 0.677 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000113239912 588827836 /nfs/dbraw/zinc/82/78/36/588827836.db2.gz OHSBNZROHBSOPT-NXEZZACHSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000113239912 588827837 /nfs/dbraw/zinc/82/78/37/588827837.db2.gz OHSBNZROHBSOPT-NXEZZACHSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1COCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866843423 582457794 /nfs/dbraw/zinc/45/77/94/582457794.db2.gz GWZLZIIVWYGVJF-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO C[N@H+](CCn1cccn1)CN1CCCC1=O ZINC000113245427 588828425 /nfs/dbraw/zinc/82/84/25/588828425.db2.gz WDNXHJVHIJITEZ-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO C[N@@H+](CCn1cccn1)CN1CCCC1=O ZINC000113245427 588828426 /nfs/dbraw/zinc/82/84/26/588828426.db2.gz WDNXHJVHIJITEZ-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccnc(CO)c1 ZINC000807170149 582486417 /nfs/dbraw/zinc/48/64/17/582486417.db2.gz XGNKGRKHTXKSME-UHFFFAOYSA-N 1 2 246.270 0.868 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C=CCC1 ZINC000855431116 588835195 /nfs/dbraw/zinc/83/51/95/588835195.db2.gz RTANMQFEPMZCNR-SECBINFHSA-N 1 2 205.261 0.797 20 0 BCADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC1CC1 ZINC000844450985 582590138 /nfs/dbraw/zinc/59/01/38/582590138.db2.gz IFBUTFLCTFZEFM-DTORHVGOSA-N 1 2 230.258 0.710 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC1CC1 ZINC000844450985 582590140 /nfs/dbraw/zinc/59/01/40/582590140.db2.gz IFBUTFLCTFZEFM-DTORHVGOSA-N 1 2 230.258 0.710 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCNC1=O ZINC000888976735 582624915 /nfs/dbraw/zinc/62/49/15/582624915.db2.gz ATJCPBWNDCNXND-JTQLQIEISA-N 1 2 247.298 0.531 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000891257444 582642528 /nfs/dbraw/zinc/64/25/28/582642528.db2.gz PKZNWGUHUJPTDF-IVZWLZJFSA-N 1 2 235.287 0.869 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000891255910 582642585 /nfs/dbraw/zinc/64/25/85/582642585.db2.gz COYXWNDNDRTTLW-YIZRAAEISA-N 1 2 249.270 0.253 20 0 BCADLO COCCN(CCF)C(=O)CCn1cc[nH+]c1 ZINC000855590764 588840757 /nfs/dbraw/zinc/84/07/57/588840757.db2.gz RJKYIAYXSSJTKH-UHFFFAOYSA-N 1 2 243.282 0.718 20 0 BCADLO O=C(CC[NH+]1CCOCC1)Nc1cnoc1 ZINC000725716146 582667660 /nfs/dbraw/zinc/66/76/60/582667660.db2.gz PATCERZEMAMFII-UHFFFAOYSA-N 1 2 225.248 0.335 20 0 BCADLO CN(C)c1cc(NCCNC(=O)C2CC2)[nH+]cn1 ZINC000891516954 582694890 /nfs/dbraw/zinc/69/48/90/582694890.db2.gz OSHWZDYSZRSCAD-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO CN(C)c1cc(NCCNC(=O)C2CC2)nc[nH+]1 ZINC000891516954 582694892 /nfs/dbraw/zinc/69/48/92/582694892.db2.gz OSHWZDYSZRSCAD-UHFFFAOYSA-N 1 2 249.318 0.481 20 0 BCADLO C[C@@H](O)c1cccc(NCC(=O)NC2CC2)[nH+]1 ZINC000891588681 582699822 /nfs/dbraw/zinc/69/98/22/582699822.db2.gz DBVUDAAPIHNESA-MRVPVSSYSA-N 1 2 235.287 0.825 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(OC)o1 ZINC000891612187 582702128 /nfs/dbraw/zinc/70/21/28/582702128.db2.gz PCFVJPGZKSKFGK-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(OC)o1 ZINC000891612187 582702130 /nfs/dbraw/zinc/70/21/30/582702130.db2.gz PCFVJPGZKSKFGK-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO CCc1cc(N[C@H](C)C(N)=O)nc(CC)[nH+]1 ZINC000891615955 582702141 /nfs/dbraw/zinc/70/21/41/582702141.db2.gz ZSRQABAZWYXDTO-SSDOTTSWSA-N 1 2 222.292 0.887 20 0 BCADLO CCn1cc(C[N@H+](CC)CC(=O)NC)c(C)n1 ZINC000891612169 582702178 /nfs/dbraw/zinc/70/21/78/582702178.db2.gz OCKVOAUJQPDCFU-UHFFFAOYSA-N 1 2 238.335 0.779 20 0 BCADLO CCn1cc(C[N@@H+](CC)CC(=O)NC)c(C)n1 ZINC000891612169 582702182 /nfs/dbraw/zinc/70/21/82/582702182.db2.gz OCKVOAUJQPDCFU-UHFFFAOYSA-N 1 2 238.335 0.779 20 0 BCADLO CC[C@@H](CO)Nc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000891684719 582709931 /nfs/dbraw/zinc/70/99/31/582709931.db2.gz OCPBTVZPZFQDOO-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CC[C@@H](CO)Nc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000891684719 582709932 /nfs/dbraw/zinc/70/99/32/582709932.db2.gz OCPBTVZPZFQDOO-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)o1 ZINC000891736394 582715267 /nfs/dbraw/zinc/71/52/67/582715267.db2.gz MLGNSZOSGITERJ-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)o1 ZINC000891736394 582715269 /nfs/dbraw/zinc/71/52/69/582715269.db2.gz MLGNSZOSGITERJ-UHFFFAOYSA-N 1 2 226.276 0.856 20 0 BCADLO C[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1C1CC1 ZINC000891850007 582729897 /nfs/dbraw/zinc/72/98/97/582729897.db2.gz NMUJEDOCHMOJKA-SECBINFHSA-N 1 2 234.303 0.538 20 0 BCADLO C[C@@H](O)c1cccc(NCCS(C)(=O)=O)[nH+]1 ZINC000891941115 582741752 /nfs/dbraw/zinc/74/17/52/582741752.db2.gz ZCWADYBEESCSNG-MRVPVSSYSA-N 1 2 244.316 0.591 20 0 BCADLO c1cn(C2CC2)c(CN2CCn3cnnc3C2)[nH+]1 ZINC000891977342 582751063 /nfs/dbraw/zinc/75/10/63/582751063.db2.gz VVFFMCGBBFBUPF-UHFFFAOYSA-N 1 2 244.302 0.825 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000892226248 582809996 /nfs/dbraw/zinc/80/99/96/582809996.db2.gz DYEMEAUBAKGQRV-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000892226248 582809999 /nfs/dbraw/zinc/80/99/99/582809999.db2.gz DYEMEAUBAKGQRV-GXSJLCMTSA-N 1 2 241.287 0.870 20 0 BCADLO CCOc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000892242061 582812401 /nfs/dbraw/zinc/81/24/01/582812401.db2.gz OQCWHJWEGHBULH-SNVBAGLBSA-N 1 2 238.287 0.999 20 0 BCADLO CCOc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000892242061 582812402 /nfs/dbraw/zinc/81/24/02/582812402.db2.gz OQCWHJWEGHBULH-SNVBAGLBSA-N 1 2 238.287 0.999 20 0 BCADLO CCOc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000892242060 582812495 /nfs/dbraw/zinc/81/24/95/582812495.db2.gz OQCWHJWEGHBULH-JTQLQIEISA-N 1 2 238.287 0.999 20 0 BCADLO CCOc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000892242060 582812499 /nfs/dbraw/zinc/81/24/99/582812499.db2.gz OQCWHJWEGHBULH-JTQLQIEISA-N 1 2 238.287 0.999 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)CC1CC1 ZINC000855914027 588853487 /nfs/dbraw/zinc/85/34/87/588853487.db2.gz PDVWTXWWRSGXMI-SNVBAGLBSA-N 1 2 237.303 0.477 20 0 BCADLO CCc1cc(N2CC[C@@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000892341119 582861380 /nfs/dbraw/zinc/86/13/80/582861380.db2.gz RMRCJXIOZXIESK-SECBINFHSA-N 1 2 248.330 0.913 20 0 BCADLO COCc1nccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000892559020 582913744 /nfs/dbraw/zinc/91/37/44/582913744.db2.gz GZUGWFMMSOXYIB-UHFFFAOYSA-N 1 2 233.275 0.983 20 0 BCADLO CN(C)c1cc(NCC[S@@](C)=O)[nH+]cn1 ZINC000892572390 582917255 /nfs/dbraw/zinc/91/72/55/582917255.db2.gz WRCNFEDSONPVPC-OAHLLOKOSA-N 1 2 228.321 0.333 20 0 BCADLO CN(C)c1cc(NCC[S@](C)=O)[nH+]cn1 ZINC000892572389 582917510 /nfs/dbraw/zinc/91/75/10/582917510.db2.gz WRCNFEDSONPVPC-HNNXBMFYSA-N 1 2 228.321 0.333 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782618368 582923426 /nfs/dbraw/zinc/92/34/26/582923426.db2.gz ASYIWTJSXMTOGM-GARJFASQSA-N 1 2 249.376 0.919 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782618368 582923429 /nfs/dbraw/zinc/92/34/29/582923429.db2.gz ASYIWTJSXMTOGM-GARJFASQSA-N 1 2 249.376 0.919 20 0 BCADLO CC1(C)OCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000856263520 588865655 /nfs/dbraw/zinc/86/56/55/588865655.db2.gz NDBKQHPVSMSEQS-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000851874001 582975086 /nfs/dbraw/zinc/97/50/86/582975086.db2.gz WYODAIBDJMTAKF-VIFPVBQESA-N 1 2 235.287 0.937 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000851874001 582975088 /nfs/dbraw/zinc/97/50/88/582975088.db2.gz WYODAIBDJMTAKF-VIFPVBQESA-N 1 2 235.287 0.937 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000851874001 582975090 /nfs/dbraw/zinc/97/50/90/582975090.db2.gz WYODAIBDJMTAKF-VIFPVBQESA-N 1 2 235.287 0.937 20 0 BCADLO CC[C@@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851885756 582975920 /nfs/dbraw/zinc/97/59/20/582975920.db2.gz LEBUBIZJBUHBKO-LLVKDONJSA-N 1 2 233.308 0.927 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851957239 582985383 /nfs/dbraw/zinc/98/53/83/582985383.db2.gz MZRZAUHTSCNSCK-ZJUUUORDSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851957239 582985385 /nfs/dbraw/zinc/98/53/85/582985385.db2.gz MZRZAUHTSCNSCK-ZJUUUORDSA-N 1 2 242.319 0.300 20 0 BCADLO CNc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000892799214 582985468 /nfs/dbraw/zinc/98/54/68/582985468.db2.gz BWCDUKAYUTWZPL-MRVPVSSYSA-N 1 2 247.302 0.694 20 0 BCADLO CNc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)[nH+]cn1 ZINC000892799214 582985469 /nfs/dbraw/zinc/98/54/69/582985469.db2.gz BWCDUKAYUTWZPL-MRVPVSSYSA-N 1 2 247.302 0.694 20 0 BCADLO CNc1cc(N[C@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000892799215 582985830 /nfs/dbraw/zinc/98/58/30/582985830.db2.gz BWCDUKAYUTWZPL-QMMMGPOBSA-N 1 2 247.302 0.694 20 0 BCADLO CNc1cc(N[C@H]2CC(=O)N(C3CC3)C2)[nH+]cn1 ZINC000892799215 582985833 /nfs/dbraw/zinc/98/58/33/582985833.db2.gz BWCDUKAYUTWZPL-QMMMGPOBSA-N 1 2 247.302 0.694 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cccc(F)n1 ZINC000851975973 582987813 /nfs/dbraw/zinc/98/78/13/582987813.db2.gz APKVUMARYIEOLR-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(F)n1 ZINC000851975973 582987814 /nfs/dbraw/zinc/98/78/14/582987814.db2.gz APKVUMARYIEOLR-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856367181 588870553 /nfs/dbraw/zinc/87/05/53/588870553.db2.gz DWDPBUBKNSVFTP-ZKCHVHJHSA-N 1 2 237.259 0.020 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)[C@H]1CC(C)(C)OC1=O ZINC000852079075 582996663 /nfs/dbraw/zinc/99/66/63/582996663.db2.gz LJBMWOIYDZZUNL-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO C[C@H](O)c1cccc(NCCc2nnc[nH]2)[nH+]1 ZINC000892905468 583007775 /nfs/dbraw/zinc/00/77/75/583007775.db2.gz LFABUSTUZZTDBT-QMMMGPOBSA-N 1 2 233.275 0.908 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)c1cccc2[nH+]ccn21 ZINC000856394784 588871473 /nfs/dbraw/zinc/87/14/73/588871473.db2.gz RITIKUSFEHPSIW-KYZUINATSA-N 1 2 231.255 0.587 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1c1nccn2c[nH+]cc12 ZINC000892944068 583014315 /nfs/dbraw/zinc/01/43/15/583014315.db2.gz NUDKPIPTZQXAED-UWVGGRQHSA-N 1 2 248.286 0.315 20 0 BCADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893080487 583044479 /nfs/dbraw/zinc/04/44/79/583044479.db2.gz PAQPMGUZEDYZMJ-SCZZXKLOSA-N 1 2 218.260 0.546 20 0 BCADLO CNc1cc(N(C)CCc2cnccn2)nc[nH+]1 ZINC000893090154 583047791 /nfs/dbraw/zinc/04/77/91/583047791.db2.gz SPCAENLMFQYTLA-UHFFFAOYSA-N 1 2 244.302 0.987 20 0 BCADLO CNc1cc(N(C)CCc2cnccn2)[nH+]cn1 ZINC000893090154 583047792 /nfs/dbraw/zinc/04/77/92/583047792.db2.gz SPCAENLMFQYTLA-UHFFFAOYSA-N 1 2 244.302 0.987 20 0 BCADLO CSC[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893099604 583049038 /nfs/dbraw/zinc/04/90/38/583049038.db2.gz PADHUEIGXDZNKC-MRVPVSSYSA-N 1 2 242.348 0.971 20 0 BCADLO CCc1cc(N[C@@H]2CNC(=O)C2)nc(CC)[nH+]1 ZINC000893102155 583049968 /nfs/dbraw/zinc/04/99/68/583049968.db2.gz MBXCNMLURUGOLE-VIFPVBQESA-N 1 2 234.303 0.902 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000856744847 588875813 /nfs/dbraw/zinc/87/58/13/588875813.db2.gz JFZFBQNSIBXVIJ-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CCC[C@](C)(F)C1 ZINC000856744847 588875814 /nfs/dbraw/zinc/87/58/14/588875814.db2.gz JFZFBQNSIBXVIJ-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856765123 588876319 /nfs/dbraw/zinc/87/63/19/588876319.db2.gz WGFJPHFGMFDHES-SSDOTTSWSA-N 1 2 244.726 0.688 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CC[C@@H]1O ZINC000893269801 583081615 /nfs/dbraw/zinc/08/16/15/583081615.db2.gz SIDBGASCORAUCP-ONGXEEELSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1cc(N(C)C)[nH+]cn1 ZINC000893274513 583082472 /nfs/dbraw/zinc/08/24/72/583082472.db2.gz PDNMUWCXBNWTHK-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1c1cc(N(C)C)nc[nH+]1 ZINC000893274513 583082475 /nfs/dbraw/zinc/08/24/75/583082475.db2.gz PDNMUWCXBNWTHK-VIFPVBQESA-N 1 2 249.318 0.210 20 0 BCADLO COC(C)(C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000893285296 583086265 /nfs/dbraw/zinc/08/62/65/583086265.db2.gz XAFSJRCFZKKISE-UHFFFAOYSA-N 1 2 240.307 0.644 20 0 BCADLO CC(C)(C(=O)N[C@@H]1COC(=O)C1)c1c[nH]c[nH+]1 ZINC000854554295 583088705 /nfs/dbraw/zinc/08/87/05/583088705.db2.gz PGUGJCIGJFIWHA-ZETCQYMHSA-N 1 2 237.259 0.119 20 0 BCADLO O=C(NC(CF)CF)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854687973 583090073 /nfs/dbraw/zinc/09/00/73/583090073.db2.gz MEFDONQAONUUFY-ZETCQYMHSA-N 1 2 243.257 0.938 20 0 BCADLO O=C(NC(CF)CF)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854687973 583090075 /nfs/dbraw/zinc/09/00/75/583090075.db2.gz MEFDONQAONUUFY-ZETCQYMHSA-N 1 2 243.257 0.938 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCSC2)c1 ZINC000893295129 583090792 /nfs/dbraw/zinc/09/07/92/583090792.db2.gz IPMVNGUCUVPMJA-MRVPVSSYSA-N 1 2 240.332 0.725 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854783203 583093848 /nfs/dbraw/zinc/09/38/48/583093848.db2.gz JJKRSBYDJHTWPT-RKDXNWHRSA-N 1 2 223.276 0.324 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000856281813 583117938 /nfs/dbraw/zinc/11/79/38/583117938.db2.gz RXVZVIXETCYQHY-DTWKUNHWSA-N 1 2 236.275 0.762 20 0 BCADLO CN(C)c1cc(N(C)CCCCO)nc[nH+]1 ZINC000893427691 583141220 /nfs/dbraw/zinc/14/12/20/583141220.db2.gz MADBXLVBNXFBDJ-UHFFFAOYSA-N 1 2 224.308 0.751 20 0 BCADLO CN(C)c1cc(N(C)CCCCO)[nH+]cn1 ZINC000893427691 583141221 /nfs/dbraw/zinc/14/12/21/583141221.db2.gz MADBXLVBNXFBDJ-UHFFFAOYSA-N 1 2 224.308 0.751 20 0 BCADLO COCC[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893673692 583193471 /nfs/dbraw/zinc/19/34/71/583193471.db2.gz NOXXMVMNIJXCHS-UWVGGRQHSA-N 1 2 240.303 0.944 20 0 BCADLO COCC[C@@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893673694 583193574 /nfs/dbraw/zinc/19/35/74/583193574.db2.gz NOXXMVMNIJXCHS-ZJUUUORDSA-N 1 2 240.303 0.944 20 0 BCADLO O=Cc1cnc(N2CC[NH+](C3CC3)CC2)nc1 ZINC000126287531 583206137 /nfs/dbraw/zinc/20/61/37/583206137.db2.gz SLNKELHFQDYMJV-UHFFFAOYSA-N 1 2 232.287 0.574 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857045976 588884299 /nfs/dbraw/zinc/88/42/99/588884299.db2.gz CPPHZWFKCGKAAQ-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857045976 588884300 /nfs/dbraw/zinc/88/43/00/588884300.db2.gz CPPHZWFKCGKAAQ-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO Cc1ncoc1C[N@@H+](C)CC(=O)N(C)C ZINC000893903449 583243117 /nfs/dbraw/zinc/24/31/17/583243117.db2.gz UXDPKCFOQMFQDL-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO Cc1ncoc1C[N@H+](C)CC(=O)N(C)C ZINC000893903449 583243120 /nfs/dbraw/zinc/24/31/20/583243120.db2.gz UXDPKCFOQMFQDL-UHFFFAOYSA-N 1 2 211.265 0.503 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCO[C@H](C)C2)C1(F)F ZINC000893917475 583247296 /nfs/dbraw/zinc/24/72/96/583247296.db2.gz VWYLUDWLIXPIPD-VGMNWLOBSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CCO[C@H](C)C2)C1(F)F ZINC000893917475 583247298 /nfs/dbraw/zinc/24/72/98/583247298.db2.gz VWYLUDWLIXPIPD-VGMNWLOBSA-N 1 2 249.257 0.761 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ocnc1C ZINC000893941398 583255194 /nfs/dbraw/zinc/25/51/94/583255194.db2.gz YAWVTCXJSYBGKC-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ocnc1C ZINC000893941398 583255196 /nfs/dbraw/zinc/25/51/96/583255196.db2.gz YAWVTCXJSYBGKC-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H](C)CCO ZINC000893955374 583261203 /nfs/dbraw/zinc/26/12/03/583261203.db2.gz OSHIRQSVWSHPOX-ZJUUUORDSA-N 1 2 217.309 0.935 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000893965983 583264017 /nfs/dbraw/zinc/26/40/17/583264017.db2.gz YYMYMRVWKYWCQL-UHFFFAOYSA-N 1 2 212.249 0.595 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000893965983 583264018 /nfs/dbraw/zinc/26/40/18/583264018.db2.gz YYMYMRVWKYWCQL-UHFFFAOYSA-N 1 2 212.249 0.595 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1[nH]nc(C)c1C ZINC000893967269 583264024 /nfs/dbraw/zinc/26/40/24/583264024.db2.gz ZDONFNGACIGYSX-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000893967269 583264026 /nfs/dbraw/zinc/26/40/26/583264026.db2.gz ZDONFNGACIGYSX-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO CCN(CC(=O)OC)Cc1c(C)cc[nH+]c1N ZINC000893998469 583268768 /nfs/dbraw/zinc/26/87/68/583268768.db2.gz JSDHTIXUAUUUFU-UHFFFAOYSA-N 1 2 237.303 0.967 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ocnc2C)CC1 ZINC000894057876 583290577 /nfs/dbraw/zinc/29/05/77/583290577.db2.gz ONHPGBLILPKFNP-UHFFFAOYSA-N 1 2 238.291 0.440 20 0 BCADLO CCN1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)CC1=O ZINC000894067545 583293459 /nfs/dbraw/zinc/29/34/59/583293459.db2.gz MDJQKNPQUOANNJ-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO CCN1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)CC1=O ZINC000894067545 583293460 /nfs/dbraw/zinc/29/34/60/583293460.db2.gz MDJQKNPQUOANNJ-VIFPVBQESA-N 1 2 249.318 0.575 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1C ZINC000894086644 583297305 /nfs/dbraw/zinc/29/73/05/583297305.db2.gz YNQOSQCPTFMMAK-SNVBAGLBSA-N 1 2 249.318 0.236 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1C ZINC000894086644 583297307 /nfs/dbraw/zinc/29/73/07/583297307.db2.gz YNQOSQCPTFMMAK-SNVBAGLBSA-N 1 2 249.318 0.236 20 0 BCADLO CC1(CO)CN(c2nccn3c[nH+]cc23)C1 ZINC000894080863 583298186 /nfs/dbraw/zinc/29/81/86/583298186.db2.gz ZRZCWHMHSVKJLS-UHFFFAOYSA-N 1 2 218.260 0.548 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CC23CC(O)C3)c1 ZINC000888944665 583299651 /nfs/dbraw/zinc/29/96/51/583299651.db2.gz IUCYSBGSWGJFPL-VXJINFAJSA-N 1 2 247.298 0.463 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000894106416 583306791 /nfs/dbraw/zinc/30/67/91/583306791.db2.gz ZZTAPBYEYWNMTC-HTRCEHHLSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000894106416 583306793 /nfs/dbraw/zinc/30/67/93/583306793.db2.gz ZZTAPBYEYWNMTC-HTRCEHHLSA-N 1 2 235.291 0.291 20 0 BCADLO CNc1cc(N[C@@H](CO)c2ccnn2C)nc[nH+]1 ZINC000894161798 583321165 /nfs/dbraw/zinc/32/11/65/583321165.db2.gz KBFJHTJEIIMDSF-QMMMGPOBSA-N 1 2 248.290 0.397 20 0 BCADLO CNc1cc(N[C@@H](CO)c2ccnn2C)[nH+]cn1 ZINC000894161798 583321166 /nfs/dbraw/zinc/32/11/66/583321166.db2.gz KBFJHTJEIIMDSF-QMMMGPOBSA-N 1 2 248.290 0.397 20 0 BCADLO C[C@@H](CC(=O)N[C@]12C[C@H]1COC2)n1cc[nH+]c1 ZINC000894179649 583329402 /nfs/dbraw/zinc/32/94/02/583329402.db2.gz UMJFVIUUNULTLU-NHCYSSNCSA-N 1 2 235.287 0.739 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)on1 ZINC000726790065 583375049 /nfs/dbraw/zinc/37/50/49/583375049.db2.gz AQJGNYXISFFSHS-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)on1 ZINC000726790065 583375052 /nfs/dbraw/zinc/37/50/52/583375052.db2.gz AQJGNYXISFFSHS-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@](C)(O)C2)[nH+]cn1 ZINC000894232050 583385240 /nfs/dbraw/zinc/38/52/40/583385240.db2.gz BESYOFPSPBWNGL-DKTWLAJQSA-N 1 2 222.292 0.868 20 0 BCADLO CN(C)c1cc(N[C@H]2C[C@@](C)(O)C2)nc[nH+]1 ZINC000894232050 583385244 /nfs/dbraw/zinc/38/52/44/583385244.db2.gz BESYOFPSPBWNGL-DKTWLAJQSA-N 1 2 222.292 0.868 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1[nH]nnc1C ZINC000857279762 588902636 /nfs/dbraw/zinc/90/26/36/588902636.db2.gz CLVAWFQQKIJNPR-QMMMGPOBSA-N 1 2 248.290 0.821 20 0 BCADLO O=C(CO)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000894256947 583395269 /nfs/dbraw/zinc/39/52/69/583395269.db2.gz LTEXIQDKJVOWAB-VIFPVBQESA-N 1 2 209.249 0.039 20 0 BCADLO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cocn2)C1(F)F ZINC000894276051 583405837 /nfs/dbraw/zinc/40/58/37/583405837.db2.gz MMGSZEMGOYLAOJ-HTQZYQBOSA-N 1 2 246.213 0.819 20 0 BCADLO CCOC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894310196 583418886 /nfs/dbraw/zinc/41/88/86/583418886.db2.gz IITIPDIWKSDYLN-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO CC(C)C[C@H]1COCC[N@@H+]1CN1CCC1=O ZINC000857232419 588897611 /nfs/dbraw/zinc/89/76/11/588897611.db2.gz CBZUXBWUSHXHDK-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)C[C@H]1COCC[N@H+]1CN1CCC1=O ZINC000857232419 588897612 /nfs/dbraw/zinc/89/76/12/588897612.db2.gz CBZUXBWUSHXHDK-NSHDSACASA-N 1 2 226.320 0.923 20 0 BCADLO CN(C)C(=O)Cn1ccc(NCc2c[nH+]c[nH]2)n1 ZINC000894328338 583424406 /nfs/dbraw/zinc/42/44/06/583424406.db2.gz AZNCGDWAPRKJJS-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BCADLO CN(C)C(=O)Cn1ccc(NCc2c[nH]c[nH+]2)n1 ZINC000894328338 583424408 /nfs/dbraw/zinc/42/44/08/583424408.db2.gz AZNCGDWAPRKJJS-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BCADLO COc1ccnc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000638443585 583429638 /nfs/dbraw/zinc/42/96/38/583429638.db2.gz PPRKIMYFICAGGC-VIFPVBQESA-N 1 2 237.259 0.017 20 0 BCADLO COCC1=CC[N@H+](CN2CCC2=O)CC1 ZINC000857235146 588899173 /nfs/dbraw/zinc/89/91/73/588899173.db2.gz ZJVHPYLNTCQDMC-UHFFFAOYSA-N 1 2 210.277 0.455 20 0 BCADLO COCC1=CC[N@@H+](CN2CCC2=O)CC1 ZINC000857235146 588899174 /nfs/dbraw/zinc/89/91/74/588899174.db2.gz ZJVHPYLNTCQDMC-UHFFFAOYSA-N 1 2 210.277 0.455 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@H]2COC)nc[nH+]1 ZINC000894388979 583445361 /nfs/dbraw/zinc/44/53/61/583445361.db2.gz MXJGAPWMYDUEOX-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@H]2COC)[nH+]cn1 ZINC000894388979 583445365 /nfs/dbraw/zinc/44/53/65/583445365.db2.gz MXJGAPWMYDUEOX-DTWKUNHWSA-N 1 2 238.291 0.104 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000879743708 583445694 /nfs/dbraw/zinc/44/56/94/583445694.db2.gz CIFQTOBNIPNTQE-GWOFURMSSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000879743708 583445698 /nfs/dbraw/zinc/44/56/98/583445698.db2.gz CIFQTOBNIPNTQE-GWOFURMSSA-N 1 2 243.303 0.162 20 0 BCADLO CCON(C)C(=O)CNc1cc(NC)[nH+]cn1 ZINC000894397953 583448288 /nfs/dbraw/zinc/44/82/88/583448288.db2.gz ISWBTYPIZFPGPQ-UHFFFAOYSA-N 1 2 239.279 0.340 20 0 BCADLO CCON(C)C(=O)CNc1cc(NC)nc[nH+]1 ZINC000894397953 583448290 /nfs/dbraw/zinc/44/82/90/583448290.db2.gz ISWBTYPIZFPGPQ-UHFFFAOYSA-N 1 2 239.279 0.340 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cnn(C)c2C2CC2)n1 ZINC000894439769 583459913 /nfs/dbraw/zinc/45/99/13/583459913.db2.gz MCDYDPLRWLKADY-UHFFFAOYSA-N 1 2 246.318 0.716 20 0 BCADLO CCN1CCN(Cc2c(C)cc[nH+]c2N)CC1=O ZINC000894459958 583466697 /nfs/dbraw/zinc/46/66/97/583466697.db2.gz CQDAFTFSMURLEZ-UHFFFAOYSA-N 1 2 248.330 0.636 20 0 BCADLO CNc1cc(N(C)C[C@H]2COCCO2)nc[nH+]1 ZINC000894546238 583479753 /nfs/dbraw/zinc/47/97/53/583479753.db2.gz XMGOOTKVWDWTNI-VIFPVBQESA-N 1 2 238.291 0.370 20 0 BCADLO CNc1cc(N(C)C[C@H]2COCCO2)[nH+]cn1 ZINC000894546238 583479755 /nfs/dbraw/zinc/47/97/55/583479755.db2.gz XMGOOTKVWDWTNI-VIFPVBQESA-N 1 2 238.291 0.370 20 0 BCADLO CCN(CC(N)=O)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894540249 583481133 /nfs/dbraw/zinc/48/11/33/583481133.db2.gz GGNVGTPEXVCOCU-UHFFFAOYSA-N 1 2 224.308 0.840 20 0 BCADLO CNc1cc(N2C[C@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000894564160 583484010 /nfs/dbraw/zinc/48/40/10/583484010.db2.gz PHQLSLAABHOAME-CABZTGNLSA-N 1 2 234.303 0.991 20 0 BCADLO CNc1cc(N2C[C@H]3COC[C@]3(C)C2)[nH+]cn1 ZINC000894564160 583484013 /nfs/dbraw/zinc/48/40/13/583484013.db2.gz PHQLSLAABHOAME-CABZTGNLSA-N 1 2 234.303 0.991 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CC(=O)N(C2CC2)C1 ZINC000894595088 583492576 /nfs/dbraw/zinc/49/25/76/583492576.db2.gz GEQAOZZAHOHRRB-UHFFFAOYSA-N 1 2 246.314 0.736 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cn(CC)nc1C ZINC000894593229 583492961 /nfs/dbraw/zinc/49/29/61/583492961.db2.gz RJKORDAXBYKKMD-UHFFFAOYSA-N 1 2 238.335 0.909 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cn(CC)nc1C ZINC000894593229 583492963 /nfs/dbraw/zinc/49/29/63/583492963.db2.gz RJKORDAXBYKKMD-UHFFFAOYSA-N 1 2 238.335 0.909 20 0 BCADLO CN(C)c1cc(NC[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000894774946 583517845 /nfs/dbraw/zinc/51/78/45/583517845.db2.gz ARBFRGUIJIHHOX-DTORHVGOSA-N 1 2 222.292 0.725 20 0 BCADLO CN(C)c1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000894774946 583517846 /nfs/dbraw/zinc/51/78/46/583517846.db2.gz ARBFRGUIJIHHOX-DTORHVGOSA-N 1 2 222.292 0.725 20 0 BCADLO CCn1cc(C[NH+]2CC(O)(COC)C2)c(C)n1 ZINC000894840924 583529766 /nfs/dbraw/zinc/52/97/66/583529766.db2.gz SNAQBQMDHLHEMI-UHFFFAOYSA-N 1 2 239.319 0.405 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000894860292 583534771 /nfs/dbraw/zinc/53/47/71/583534771.db2.gz JNJGBBCMTRUQLH-JGVFFNPUSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000894860292 583534774 /nfs/dbraw/zinc/53/47/74/583534774.db2.gz JNJGBBCMTRUQLH-JGVFFNPUSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H](O)c1cccc(N[C@@H]2COC[C@@H]2O)[nH+]1 ZINC000894866789 583537995 /nfs/dbraw/zinc/53/79/95/583537995.db2.gz CDGNWAXBCQODER-QNSHHTMESA-N 1 2 224.260 0.307 20 0 BCADLO O=C(C[N@H+]1CC=C[C@@H]1CO)NCc1ccco1 ZINC000880484575 583543826 /nfs/dbraw/zinc/54/38/26/583543826.db2.gz QDLKAVWFINHXLK-SNVBAGLBSA-N 1 2 236.271 0.129 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)NCc1ccco1 ZINC000880484575 583543828 /nfs/dbraw/zinc/54/38/28/583543828.db2.gz QDLKAVWFINHXLK-SNVBAGLBSA-N 1 2 236.271 0.129 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C(C)C)c[nH]2)C[C@H]1O ZINC000894910908 583554778 /nfs/dbraw/zinc/55/47/78/583554778.db2.gz ANWXURHLGZQOIC-GHMZBOCLSA-N 1 2 239.319 0.725 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C(C)C)c[nH]2)C[C@H]1O ZINC000894910908 583554779 /nfs/dbraw/zinc/55/47/79/583554779.db2.gz ANWXURHLGZQOIC-GHMZBOCLSA-N 1 2 239.319 0.725 20 0 BCADLO CCOC1C[NH+](C[C@H]2[C@@H](C(=O)OC)C2(F)F)C1 ZINC000894971452 583561291 /nfs/dbraw/zinc/56/12/91/583561291.db2.gz ZJKVEEPLFRAUBJ-IUCAKERBSA-N 1 2 249.257 0.761 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CC=CCC1 ZINC000894975848 583562783 /nfs/dbraw/zinc/56/27/83/583562783.db2.gz OXEPZTCWLRZNIB-JQWIXIFHSA-N 1 2 227.304 0.856 20 0 BCADLO COC(=O)[C@H]1[C@H](C[NH+]2CC(C)(O)C2)C1(F)F ZINC000894977470 583563001 /nfs/dbraw/zinc/56/30/01/583563001.db2.gz SPKZEQCTTSLNQW-NKWVEPMBSA-N 1 2 235.230 0.107 20 0 BCADLO CCc1cc(NC[C@@H](O)[C@@H](C)O)nc(CC)[nH+]1 ZINC000894988354 583565432 /nfs/dbraw/zinc/56/54/32/583565432.db2.gz DKNMWGILSCTRBD-PSASIEDQSA-N 1 2 239.319 0.755 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1C ZINC000895013517 583567833 /nfs/dbraw/zinc/56/78/33/583567833.db2.gz BRQKKXKNLQHJJK-CMPLNLGQSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1C ZINC000895013517 583567835 /nfs/dbraw/zinc/56/78/35/583567835.db2.gz BRQKKXKNLQHJJK-CMPLNLGQSA-N 1 2 239.319 0.608 20 0 BCADLO c1ncc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)[nH]1 ZINC000895072268 583579453 /nfs/dbraw/zinc/57/94/53/583579453.db2.gz ATDHHPKAHJUTGE-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1nc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c[nH]1 ZINC000895072268 583579451 /nfs/dbraw/zinc/57/94/51/583579451.db2.gz ATDHHPKAHJUTGE-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1nc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c[nH]1 ZINC000895072268 583579452 /nfs/dbraw/zinc/57/94/52/583579452.db2.gz ATDHHPKAHJUTGE-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO c1ncc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)[nH]1 ZINC000895072268 583579454 /nfs/dbraw/zinc/57/94/54/583579454.db2.gz ATDHHPKAHJUTGE-JTQLQIEISA-N 1 2 244.302 0.886 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1ocnc1C ZINC000895084183 583583443 /nfs/dbraw/zinc/58/34/43/583583443.db2.gz HTJURTSONGMRJT-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO Cc1cc(C[NH+]2CC(C)(C(N)=O)C2)cnc1F ZINC000895086580 583584500 /nfs/dbraw/zinc/58/45/00/583584500.db2.gz CPYMLVZJEYOOMC-UHFFFAOYSA-N 1 2 237.278 0.836 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1c[nH+]cn1C ZINC000895112412 583591169 /nfs/dbraw/zinc/59/11/69/583591169.db2.gz DIQSCITVKJJZOI-LPEHRKFASA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1c[nH+]c[nH]1 ZINC000895121408 583596020 /nfs/dbraw/zinc/59/60/20/583596020.db2.gz QDOKXZNJYQYKCG-YIZRAAEISA-N 1 2 222.292 0.507 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1c[nH]c[nH+]1 ZINC000895121408 583596022 /nfs/dbraw/zinc/59/60/22/583596022.db2.gz QDOKXZNJYQYKCG-YIZRAAEISA-N 1 2 222.292 0.507 20 0 BCADLO CCc1nc(N2CCn3nc(N)cc3C2)cc[nH+]1 ZINC000895123121 583596889 /nfs/dbraw/zinc/59/68/89/583596889.db2.gz IGVFPFIOAYHPCF-UHFFFAOYSA-N 1 2 244.302 0.838 20 0 BCADLO CCON(C)C(=O)C[NH2+][C@H](C)c1cnccn1 ZINC000895142635 583603567 /nfs/dbraw/zinc/60/35/67/583603567.db2.gz SVAPBYOKGOQLNB-SECBINFHSA-N 1 2 238.291 0.537 20 0 BCADLO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1n[nH]c(=O)n1C ZINC000895177765 583616537 /nfs/dbraw/zinc/61/65/37/583616537.db2.gz XJCBMCWCEZNMRS-GJMOJQLCSA-N 1 2 242.348 0.923 20 0 BCADLO C[C@H]([NH2+]Cc1ccccn1)C1N=NC(=O)N1C ZINC000895184371 583618280 /nfs/dbraw/zinc/61/82/80/583618280.db2.gz QZFCWJWCSDHXQW-QMMMGPOBSA-N 1 2 233.275 0.767 20 0 BCADLO C[C@H]([NH2+]Cc1cccnc1)C1N=NC(=O)N1C ZINC000895184031 583618827 /nfs/dbraw/zinc/61/88/27/583618827.db2.gz OSGXXSQAXSCZLZ-QMMMGPOBSA-N 1 2 233.275 0.767 20 0 BCADLO Cc1oncc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000857923422 588924266 /nfs/dbraw/zinc/92/42/66/588924266.db2.gz FGHDZJUBOIQOTN-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO COC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857874210 588918059 /nfs/dbraw/zinc/91/80/59/588918059.db2.gz MTFFGRCTLQBNOX-UHFFFAOYSA-N 1 2 206.245 0.960 20 0 BCADLO COC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857874210 588918060 /nfs/dbraw/zinc/91/80/60/588918060.db2.gz MTFFGRCTLQBNOX-UHFFFAOYSA-N 1 2 206.245 0.960 20 0 BCADLO CCCn1cc(C[NH2+]C[C@@H]2CC(C)=NO2)nn1 ZINC000895299099 583640650 /nfs/dbraw/zinc/64/06/50/583640650.db2.gz ALJHIPZOGPKFQQ-NSHDSACASA-N 1 2 237.307 0.943 20 0 BCADLO Cc1oncc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000857923422 588924267 /nfs/dbraw/zinc/92/42/67/588924267.db2.gz FGHDZJUBOIQOTN-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000895316013 583648793 /nfs/dbraw/zinc/64/87/93/583648793.db2.gz GHILSECSKAWYTR-MRVPVSSYSA-N 1 2 208.265 0.024 20 0 BCADLO Cc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)no1 ZINC000895321023 583649197 /nfs/dbraw/zinc/64/91/97/583649197.db2.gz JQKAUOFXHSSQJY-VIFPVBQESA-N 1 2 223.276 0.597 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](O)C[C@@]2(C)CO)[nH+]c1C ZINC000895326616 583651610 /nfs/dbraw/zinc/65/16/10/583651610.db2.gz YSLNHKWVNMMICV-JQWIXIFHSA-N 1 2 239.319 0.344 20 0 BCADLO NS(=O)(=O)CCC[N@@H+]1Cc2ccncc2C1 ZINC000857876832 588919109 /nfs/dbraw/zinc/91/91/09/588919109.db2.gz VQWFSLNCBVERDN-UHFFFAOYSA-N 1 2 241.316 0.076 20 0 BCADLO NS(=O)(=O)CCC[N@H+]1Cc2ccncc2C1 ZINC000857876832 588919111 /nfs/dbraw/zinc/91/91/11/588919111.db2.gz VQWFSLNCBVERDN-UHFFFAOYSA-N 1 2 241.316 0.076 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000857941452 588924334 /nfs/dbraw/zinc/92/43/34/588924334.db2.gz HFGQBGOATTXAHJ-MWLCHTKSSA-N 1 2 248.286 0.479 20 0 BCADLO CON(C)C(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857879872 588919645 /nfs/dbraw/zinc/91/96/45/588919645.db2.gz UCQPFGOGERKUCU-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO CON(C)C(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857879872 588919647 /nfs/dbraw/zinc/91/96/47/588919647.db2.gz UCQPFGOGERKUCU-UHFFFAOYSA-N 1 2 235.287 0.807 20 0 BCADLO C[N@H+](CC[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000895398581 583665117 /nfs/dbraw/zinc/66/51/17/583665117.db2.gz WKLTXCWGITZZCW-SECBINFHSA-N 1 2 233.333 0.142 20 0 BCADLO C[N@@H+](CC[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000895398581 583665118 /nfs/dbraw/zinc/66/51/18/583665118.db2.gz WKLTXCWGITZZCW-SECBINFHSA-N 1 2 233.333 0.142 20 0 BCADLO CC[C@@H](C)[C@H](C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398846 583665890 /nfs/dbraw/zinc/66/58/90/583665890.db2.gz FDHOAQWGMRYWFJ-KOLCDFICSA-N 1 2 249.376 0.776 20 0 BCADLO CC[C@@H](C)[C@H](C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398846 583665891 /nfs/dbraw/zinc/66/58/91/583665891.db2.gz FDHOAQWGMRYWFJ-KOLCDFICSA-N 1 2 249.376 0.776 20 0 BCADLO Cc1ncoc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000895414088 583666412 /nfs/dbraw/zinc/66/64/12/583666412.db2.gz ALDAXFSLRQDVIG-JTQLQIEISA-N 1 2 225.292 0.139 20 0 BCADLO Cc1ncoc1CNCC[N@H+]1CC[C@H](O)C1 ZINC000895414088 583666413 /nfs/dbraw/zinc/66/64/13/583666413.db2.gz ALDAXFSLRQDVIG-JTQLQIEISA-N 1 2 225.292 0.139 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCCO1 ZINC000857885657 588920392 /nfs/dbraw/zinc/92/03/92/588920392.db2.gz YJWGXUVYAXPFET-GWCFXTLKSA-N 1 2 249.314 0.883 20 0 BCADLO COC/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885780 588920717 /nfs/dbraw/zinc/92/07/17/588920717.db2.gz OUNYGYNKOGRDHI-XADBCAIWSA-N 1 2 221.260 0.127 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884532 588920827 /nfs/dbraw/zinc/92/08/27/588920827.db2.gz KAPYDYXBPZHSJW-FQVWWYAISA-N 1 2 247.298 0.659 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccnnc1 ZINC000857887995 588920946 /nfs/dbraw/zinc/92/09/46/588920946.db2.gz AJGRIQVZOLKMRX-VIFPVBQESA-N 1 2 229.243 0.028 20 0 BCADLO CC1(OCC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000857888722 588920965 /nfs/dbraw/zinc/92/09/65/588920965.db2.gz BTHBZORZACBAKQ-JTQLQIEISA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C(=O)OC(C)(C)C ZINC000895475110 583679830 /nfs/dbraw/zinc/67/98/30/583679830.db2.gz SJPHLHYYEVGJNP-IWSPIJDZSA-N 1 2 215.293 0.830 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000857886153 588921226 /nfs/dbraw/zinc/92/12/26/588921226.db2.gz UROLOHLFLHOHCC-MFKMUULPSA-N 1 2 249.314 0.475 20 0 BCADLO CCCONC(=O)NCc1cn(C)c[nH+]1 ZINC000895515753 583683122 /nfs/dbraw/zinc/68/31/22/583683122.db2.gz ISHDKQOPMYXWHF-UHFFFAOYSA-N 1 2 212.253 0.561 20 0 BCADLO C/C=C(\C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890557 588921262 /nfs/dbraw/zinc/92/12/62/588921262.db2.gz XQHZFDRKUXKJTL-IPQKIJNHSA-N 1 2 205.261 0.890 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887925 588921264 /nfs/dbraw/zinc/92/12/64/588921264.db2.gz WNKJHXKIPALYFR-SCZZXKLOSA-N 1 2 225.267 0.918 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC=CO1 ZINC000857888292 588921407 /nfs/dbraw/zinc/92/14/07/588921407.db2.gz XZDVCWONPWLHBR-GXSJLCMTSA-N 1 2 233.271 0.617 20 0 BCADLO CC1(C)C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888750 588921469 /nfs/dbraw/zinc/92/14/69/588921469.db2.gz CIULSMKSOXDFJF-WPRPVWTQSA-N 1 2 219.288 0.970 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccc(OC)cn2)n1 ZINC000895559585 583691465 /nfs/dbraw/zinc/69/14/65/583691465.db2.gz CQFQDTSQXVZHBY-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO C[N@@H+]1CCOC[C@]1(CO)CNc1nccs1 ZINC000895609624 583696088 /nfs/dbraw/zinc/69/60/88/583696088.db2.gz FQMXLRDCXKFOQE-SNVBAGLBSA-N 1 2 243.332 0.248 20 0 BCADLO C[N@H+]1CCOC[C@]1(CO)CNc1nccs1 ZINC000895609624 583696089 /nfs/dbraw/zinc/69/60/89/583696089.db2.gz FQMXLRDCXKFOQE-SNVBAGLBSA-N 1 2 243.332 0.248 20 0 BCADLO CCC[C@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619445 583697015 /nfs/dbraw/zinc/69/70/15/583697015.db2.gz XENITVNBLXJHAX-JTQLQIEISA-N 1 2 238.335 0.755 20 0 BCADLO Cn1ncnc1C1(O)C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000895617236 583697320 /nfs/dbraw/zinc/69/73/20/583697320.db2.gz YXHSBAABIANRNM-JGPRNRPPSA-N 1 2 248.330 0.364 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cnc1Cl ZINC000895652316 583703411 /nfs/dbraw/zinc/70/34/11/583703411.db2.gz GHMXOSWNBPFFRC-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cnc1Cl ZINC000895652316 583703412 /nfs/dbraw/zinc/70/34/12/583703412.db2.gz GHMXOSWNBPFFRC-GMSGAONNSA-N 1 2 227.695 0.640 20 0 BCADLO C[C@H](CNC(=O)c1cncc2nc[nH]c21)[NH+](C)C ZINC000895681594 583709150 /nfs/dbraw/zinc/70/91/50/583709150.db2.gz RXHURIKHUKHFCV-MRVPVSSYSA-N 1 2 247.302 0.638 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H]1CS[C@H](C)C1)[C@@H](C)O ZINC000895743307 583715989 /nfs/dbraw/zinc/71/59/89/583715989.db2.gz FXSPJQXFZAHVCE-BGZDPUMWSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H](C)C1CCOCC1)[C@@H](C)O ZINC000895744227 583716042 /nfs/dbraw/zinc/71/60/42/583716042.db2.gz YBVZGPCZMZVSJZ-KKZNHRDASA-N 1 2 245.319 0.314 20 0 BCADLO COC/C(C)=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857937334 588924216 /nfs/dbraw/zinc/92/42/16/588924216.db2.gz ANGZGFDATVLSHT-IGLBNKAOSA-N 1 2 249.314 0.907 20 0 BCADLO CCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)COC1 ZINC000857949724 588924747 /nfs/dbraw/zinc/92/47/47/588924747.db2.gz CHVVKZBEUCJTBS-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ncccn1 ZINC000857945047 588924762 /nfs/dbraw/zinc/92/47/62/588924762.db2.gz NOISURRRPPXJOP-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857947495 588924932 /nfs/dbraw/zinc/92/49/32/588924932.db2.gz SNTBBZNWSWYAID-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895809401 583730494 /nfs/dbraw/zinc/73/04/94/583730494.db2.gz UPTHIVHBJBZKJD-RNJXMRFFSA-N 1 2 201.291 0.786 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895809400 583730530 /nfs/dbraw/zinc/73/05/30/583730530.db2.gz UPTHIVHBJBZKJD-PRJMDXOYSA-N 1 2 201.291 0.786 20 0 BCADLO Cc1[nH]c(CN[C@H]2CCOC2=O)[nH+]c1C ZINC000895808227 583732705 /nfs/dbraw/zinc/73/27/05/583732705.db2.gz DJUYRVOIQWQMQW-QMMMGPOBSA-N 1 2 209.249 0.432 20 0 BCADLO CC[C@H](C)[C@H](C[NH2+][C@H]1CCOC1=O)OC ZINC000895808133 583732764 /nfs/dbraw/zinc/73/27/64/583732764.db2.gz AWKFOSBUCZLITM-GUBZILKMSA-N 1 2 215.293 0.953 20 0 BCADLO COC1CC([NH2+]Cc2nc(CSC)n[nH]2)C1 ZINC000895817393 583733934 /nfs/dbraw/zinc/73/39/34/583733934.db2.gz IYNFTJMPHMJDTM-UHFFFAOYSA-N 1 2 242.348 0.935 20 0 BCADLO COC1CC([NH2+]Cc2nnc(CSC)[nH]2)C1 ZINC000895817393 583733936 /nfs/dbraw/zinc/73/39/36/583733936.db2.gz IYNFTJMPHMJDTM-UHFFFAOYSA-N 1 2 242.348 0.935 20 0 BCADLO C/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965152 588925596 /nfs/dbraw/zinc/92/55/96/588925596.db2.gz GBGMPFJVAJINLE-PKRMOACSSA-N 1 2 205.261 0.890 20 0 BCADLO COC(=O)Cn1cc(C[N@H+](C)CCCF)nn1 ZINC000895895709 583743794 /nfs/dbraw/zinc/74/37/94/583743794.db2.gz CZSGPXUHDPXOJS-UHFFFAOYSA-N 1 2 244.270 0.243 20 0 BCADLO COC(=O)Cn1cc(C[N@@H+](C)CCCF)nn1 ZINC000895895709 583743795 /nfs/dbraw/zinc/74/37/95/583743795.db2.gz CZSGPXUHDPXOJS-UHFFFAOYSA-N 1 2 244.270 0.243 20 0 BCADLO C[C@H]1COC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000895911890 583745760 /nfs/dbraw/zinc/74/57/60/583745760.db2.gz ZMTHTPLPYPXFEN-POYBYMJQSA-N 1 2 248.290 0.392 20 0 BCADLO C[C@@H]1COC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000895911891 583745887 /nfs/dbraw/zinc/74/58/87/583745887.db2.gz ZMTHTPLPYPXFEN-SVRRBLITSA-N 1 2 248.290 0.392 20 0 BCADLO CCOc1cc(N2CCOCN2)[nH+]cn1 ZINC000895921841 583746646 /nfs/dbraw/zinc/74/66/46/583746646.db2.gz GKTNOQWHMYKBBA-UHFFFAOYSA-N 1 2 210.237 0.174 20 0 BCADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)nn1 ZINC000857976423 588926142 /nfs/dbraw/zinc/92/61/42/588926142.db2.gz DJYCKYYARCPLAF-SECBINFHSA-N 1 2 243.270 0.856 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000335813130 583749445 /nfs/dbraw/zinc/74/94/45/583749445.db2.gz DTRUSIIZEFTCAS-WPRPVWTQSA-N 1 2 223.276 0.604 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cocn1 ZINC000857985762 588926308 /nfs/dbraw/zinc/92/63/08/588926308.db2.gz JADNXOUOJPYEKS-SSDOTTSWSA-N 1 2 218.216 0.746 20 0 BCADLO CO[C@H]1CN(Cc2c(C)cc[nH+]c2N)CCO1 ZINC000895961841 583750968 /nfs/dbraw/zinc/75/09/68/583750968.db2.gz FUAMPYNGFSUGLU-LLVKDONJSA-N 1 2 237.303 0.777 20 0 BCADLO CO[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000895962877 583752578 /nfs/dbraw/zinc/75/25/78/583752578.db2.gz LPUAFCQLIGMSEF-SNVBAGLBSA-N 1 2 211.265 0.523 20 0 BCADLO CO[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000895968360 583755429 /nfs/dbraw/zinc/75/54/29/583755429.db2.gz MFIZFLGYMGIARE-LLVKDONJSA-N 1 2 213.277 0.638 20 0 BCADLO CO[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000895968360 583755430 /nfs/dbraw/zinc/75/54/30/583755430.db2.gz MFIZFLGYMGIARE-LLVKDONJSA-N 1 2 213.277 0.638 20 0 BCADLO Cc1cccn2cc(CCNC(=O)CO)[nH+]c12 ZINC000895971563 583755951 /nfs/dbraw/zinc/75/59/51/583755951.db2.gz SZAJRUVSKDGVAA-UHFFFAOYSA-N 1 2 233.271 0.294 20 0 BCADLO Cn1nccc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895979302 583757344 /nfs/dbraw/zinc/75/73/44/583757344.db2.gz GSWFFEPBVLSATE-VIFPVBQESA-N 1 2 243.332 0.085 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H](O)C1CCC1 ZINC000857977369 588927070 /nfs/dbraw/zinc/92/70/70/588927070.db2.gz CUFHURFQBFYDBG-ONGXEEELSA-N 1 2 235.287 0.605 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979152 588927169 /nfs/dbraw/zinc/92/71/69/588927169.db2.gz NMJUZZAEXFBAFV-WPRPVWTQSA-N 1 2 223.276 0.461 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nccn1C1CC1)C2 ZINC000896020794 583764151 /nfs/dbraw/zinc/76/41/51/583764151.db2.gz CZIVJFNMOODZMS-CABZTGNLSA-N 1 2 219.288 0.785 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nccn1C1CC1)C2 ZINC000896020794 583764152 /nfs/dbraw/zinc/76/41/52/583764152.db2.gz CZIVJFNMOODZMS-CABZTGNLSA-N 1 2 219.288 0.785 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1=COCC1 ZINC000727755589 583764840 /nfs/dbraw/zinc/76/48/40/583764840.db2.gz BIPUGLOAMMBCIK-SNVBAGLBSA-N 1 2 240.303 0.128 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(O)CCC1 ZINC000857980817 588927576 /nfs/dbraw/zinc/92/75/76/588927576.db2.gz QLZPVPMPAKXLDY-MRVPVSSYSA-N 1 2 221.260 0.359 20 0 BCADLO C[C@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857979177 588927654 /nfs/dbraw/zinc/92/76/54/588927654.db2.gz NVZVDDAMCZQFCB-BXKDBHETSA-N 1 2 235.287 0.605 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@]12CCOC2 ZINC000857981552 588927797 /nfs/dbraw/zinc/92/77/97/588927797.db2.gz GVZJFLRLZZCVDQ-BREBYQMCSA-N 1 2 247.298 0.871 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@]12CCOC2 ZINC000857981553 588928013 /nfs/dbraw/zinc/92/80/13/588928013.db2.gz GVZJFLRLZZCVDQ-CWSCBRNRSA-N 1 2 247.298 0.871 20 0 BCADLO C[C@@H]1CO[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000896156651 583776021 /nfs/dbraw/zinc/77/60/21/583776021.db2.gz URISBQCPYIDBDW-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984576 588928725 /nfs/dbraw/zinc/92/87/25/588928725.db2.gz KEPQNDUMLUDPBF-BDAKNGLRSA-N 1 2 223.276 0.869 20 0 BCADLO Nc1nccnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985952 588929110 /nfs/dbraw/zinc/92/91/10/588929110.db2.gz MPXKNXAEWICVCR-SSDOTTSWSA-N 1 2 244.258 0.130 20 0 BCADLO Cn1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857985844 588929130 /nfs/dbraw/zinc/92/91/30/588929130.db2.gz QGEJTLIENXLQNK-MRVPVSSYSA-N 1 2 231.259 0.491 20 0 BCADLO CSCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989144 588929164 /nfs/dbraw/zinc/92/91/64/588929164.db2.gz LQOHBSORLBQTNX-ZETCQYMHSA-N 1 2 211.290 0.807 20 0 BCADLO Cn1nccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985568 588929337 /nfs/dbraw/zinc/92/93/37/588929337.db2.gz PGNALSKTRZQVQV-QMMMGPOBSA-N 1 2 231.259 0.491 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ncccn1 ZINC000857986084 588929383 /nfs/dbraw/zinc/92/93/83/588929383.db2.gz LOFTZIAVELSWPY-MRVPVSSYSA-N 1 2 229.243 0.548 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896482622 583806152 /nfs/dbraw/zinc/80/61/52/583806152.db2.gz IOGVHFRLWZABHA-QMMMGPOBSA-N 1 2 235.247 0.463 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896482622 583806153 /nfs/dbraw/zinc/80/61/53/583806153.db2.gz IOGVHFRLWZABHA-QMMMGPOBSA-N 1 2 235.247 0.463 20 0 BCADLO O=C(CC1(O)CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942193 588924570 /nfs/dbraw/zinc/92/45/70/588924570.db2.gz VJGAQWMSAWIESC-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896573827 583813798 /nfs/dbraw/zinc/81/37/98/583813798.db2.gz CEBSEYYKIZUVKV-QJPTWQEYSA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896573827 583813800 /nfs/dbraw/zinc/81/38/00/583813800.db2.gz CEBSEYYKIZUVKV-QJPTWQEYSA-N 1 2 241.379 0.783 20 0 BCADLO CCc1nc(NC[C@H](O)c2ccnn2C)cc[nH+]1 ZINC000896625945 583817658 /nfs/dbraw/zinc/81/76/58/583817658.db2.gz WKJXACRAVNQVCP-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO COC[C@@H](OC)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896662778 583822098 /nfs/dbraw/zinc/82/20/98/583822098.db2.gz HTXIEIRPWROHBM-MRVPVSSYSA-N 1 2 241.291 0.954 20 0 BCADLO Cc1nc(N[C@H]2CCc3nnn(C)c3C2)cc[nH+]1 ZINC000896677136 583822704 /nfs/dbraw/zinc/82/27/04/583822704.db2.gz OXPLHORHXDKWKA-VIFPVBQESA-N 1 2 244.302 0.883 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(C3CSC3)no2)C1 ZINC000896735370 583828344 /nfs/dbraw/zinc/82/83/44/583828344.db2.gz MSVNSWGJLXAWSW-MRVPVSSYSA-N 1 2 241.316 0.903 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(C3CSC3)no2)C1 ZINC000896735370 583828345 /nfs/dbraw/zinc/82/83/45/583828345.db2.gz MSVNSWGJLXAWSW-MRVPVSSYSA-N 1 2 241.316 0.903 20 0 BCADLO Cc1nc(NCC2(C3(O)CCC3)CC2)nc(N)[nH+]1 ZINC000896810813 583835454 /nfs/dbraw/zinc/83/54/54/583835454.db2.gz CPNAYWBPBSRKFS-UHFFFAOYSA-N 1 2 249.318 0.869 20 0 BCADLO Cc1nc(N)nc(NCC2(C3(O)CCC3)CC2)[nH+]1 ZINC000896810813 583835456 /nfs/dbraw/zinc/83/54/56/583835456.db2.gz CPNAYWBPBSRKFS-UHFFFAOYSA-N 1 2 249.318 0.869 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000727942193 583837945 /nfs/dbraw/zinc/83/79/45/583837945.db2.gz PXQFNZNUJLVUQK-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000727942193 583837947 /nfs/dbraw/zinc/83/79/47/583837947.db2.gz PXQFNZNUJLVUQK-GMTAPVOTSA-N 1 2 241.335 0.415 20 0 BCADLO O=S1(=O)C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000896912099 583853553 /nfs/dbraw/zinc/85/35/53/583853553.db2.gz MNHNHMNXQOFKDU-AOOOYVTPSA-N 1 2 238.312 0.562 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000896923021 583856890 /nfs/dbraw/zinc/85/68/90/583856890.db2.gz AJUHCMUOBJEEEG-GDPRMGEGSA-N 1 2 240.303 0.211 20 0 BCADLO CO[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921421 583856927 /nfs/dbraw/zinc/85/69/27/583856927.db2.gz MNEIIRTYUFDCQY-MRVPVSSYSA-N 1 2 211.265 0.678 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H]2CCOC2)[nH+]c1C ZINC000896920287 583857532 /nfs/dbraw/zinc/85/75/32/583857532.db2.gz APKJNJUTSXJADK-SECBINFHSA-N 1 2 223.276 0.679 20 0 BCADLO CO[N-]C(=O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000896925826 583858007 /nfs/dbraw/zinc/85/80/07/583858007.db2.gz AXYGYXYIGDXQBC-UHFFFAOYSA-N 1 2 237.303 0.590 20 0 BCADLO CONC(=O)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000896925092 583858179 /nfs/dbraw/zinc/85/81/79/583858179.db2.gz UALBAPQMLGLFSH-RKDXNWHRSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000896927888 583859465 /nfs/dbraw/zinc/85/94/65/583859465.db2.gz UYACKFAWZMCMMI-MRVPVSSYSA-N 1 2 200.282 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)Cc1ccsc1 ZINC000896927369 583859534 /nfs/dbraw/zinc/85/95/34/583859534.db2.gz QZTSUEISKYLZSR-MRVPVSSYSA-N 1 2 228.317 0.946 20 0 BCADLO CONC(=O)C[NH2+]C1Cc2ccccc2C1 ZINC000896926666 583860316 /nfs/dbraw/zinc/86/03/16/583860316.db2.gz JTABNSIUNOAUBD-UHFFFAOYSA-N 1 2 220.272 0.421 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnccn2)[nH+]c1C ZINC000896930407 583860954 /nfs/dbraw/zinc/86/09/54/583860954.db2.gz XLDQNEZVXPKSIP-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000896971642 583866290 /nfs/dbraw/zinc/86/62/90/583866290.db2.gz UKYMEHVTXRUZMX-BBBLOLIVSA-N 1 2 223.276 0.471 20 0 BCADLO Cc1cc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000896971640 583866337 /nfs/dbraw/zinc/86/63/37/583866337.db2.gz UKYMEHVTXRUZMX-AEJSXWLSSA-N 1 2 223.276 0.471 20 0 BCADLO CCc1cc(N2CC3(C2)CCNC(=O)O3)nc[nH+]1 ZINC000897002654 583868878 /nfs/dbraw/zinc/86/88/78/583868878.db2.gz WSYLCWVSZDVJJI-UHFFFAOYSA-N 1 2 248.286 0.728 20 0 BCADLO Cc1nc(N2CCO[C@@H]3COCC[C@@H]32)cc[nH+]1 ZINC000897056831 583874758 /nfs/dbraw/zinc/87/47/58/583874758.db2.gz XNLNUNWLEBTNQR-WDEREUQCSA-N 1 2 235.287 0.779 20 0 BCADLO Cc1nc(N2CC(N3CCCC3=O)C2)cc[nH+]1 ZINC000897049934 583875502 /nfs/dbraw/zinc/87/55/02/583875502.db2.gz LFRAOYAAKFGSOA-UHFFFAOYSA-N 1 2 232.287 0.596 20 0 BCADLO OC[C@@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000897119501 583882556 /nfs/dbraw/zinc/88/25/56/583882556.db2.gz AWDDZAUYRQPWBO-VIFPVBQESA-N 1 2 231.259 0.233 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cn[nH]c2)n1 ZINC000858205112 588938384 /nfs/dbraw/zinc/93/83/84/588938384.db2.gz QXUQICYAPRJTLH-UHFFFAOYSA-N 1 2 206.253 0.311 20 0 BCADLO COc1nn(C)cc1CNc1cc[nH+]cc1F ZINC000897242880 583900981 /nfs/dbraw/zinc/90/09/81/583900981.db2.gz QFHYWOUHGCNKHI-UHFFFAOYSA-N 1 2 236.250 0.997 20 0 BCADLO CCc1nc(NCCCc2nnnn2C)cc[nH+]1 ZINC000897249056 583902601 /nfs/dbraw/zinc/90/26/01/583902601.db2.gz KPKYAOGLZMCOMC-UHFFFAOYSA-N 1 2 247.306 0.607 20 0 BCADLO Cn1nnnc1CCCNc1cc(CO)cc[nH+]1 ZINC000897251636 583903149 /nfs/dbraw/zinc/90/31/49/583903149.db2.gz XLVPUKXXBGMHOX-UHFFFAOYSA-N 1 2 248.290 0.142 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC ZINC000121754640 583936788 /nfs/dbraw/zinc/93/67/88/583936788.db2.gz UODRPPOXSQOEGJ-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC ZINC000121754640 583936789 /nfs/dbraw/zinc/93/67/89/583936789.db2.gz UODRPPOXSQOEGJ-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@H](O)[C@H](F)C2)c1Cl ZINC000897377344 583946394 /nfs/dbraw/zinc/94/63/94/583946394.db2.gz DYUSJSGOLQLGMN-PHDIDXHHSA-N 1 2 246.673 0.621 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@H](O)[C@H](F)C2)c1Cl ZINC000897377344 583946396 /nfs/dbraw/zinc/94/63/96/583946396.db2.gz DYUSJSGOLQLGMN-PHDIDXHHSA-N 1 2 246.673 0.621 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@H](F)C1 ZINC000897378143 583946879 /nfs/dbraw/zinc/94/68/79/583946879.db2.gz BOJLQWIZGHPAMQ-RKDXNWHRSA-N 1 2 226.251 0.999 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cscn1 ZINC000858320287 588944710 /nfs/dbraw/zinc/94/47/10/588944710.db2.gz RXSLJOSRBICPGF-ZETCQYMHSA-N 1 2 229.305 0.641 20 0 BCADLO CC(C)NC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC000729162912 583961784 /nfs/dbraw/zinc/96/17/84/583961784.db2.gz YJEUCBKMIRAJIW-SNVBAGLBSA-N 1 2 245.392 0.580 20 0 BCADLO CC(C)NC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC000729162912 583961785 /nfs/dbraw/zinc/96/17/85/583961785.db2.gz YJEUCBKMIRAJIW-SNVBAGLBSA-N 1 2 245.392 0.580 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]1CO ZINC000889152118 583969579 /nfs/dbraw/zinc/96/95/79/583969579.db2.gz MPTAXLQYJPFPPD-KOLCDFICSA-N 1 2 235.287 0.039 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nn1cccn1 ZINC000862769046 583970266 /nfs/dbraw/zinc/97/02/66/583970266.db2.gz BGNJWOQWKWGHSU-MRVPVSSYSA-N 1 2 219.248 0.555 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nn1cccn1 ZINC000862769046 583970267 /nfs/dbraw/zinc/97/02/67/583970267.db2.gz BGNJWOQWKWGHSU-MRVPVSSYSA-N 1 2 219.248 0.555 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000858223649 588939614 /nfs/dbraw/zinc/93/96/14/588939614.db2.gz WRASXZYYCUIROA-UHFFFAOYSA-N 1 2 240.307 0.608 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(=O)N2CCC[C@H]21 ZINC000888163814 583976209 /nfs/dbraw/zinc/97/62/09/583976209.db2.gz RVSNWVDQDZVHAV-SNVBAGLBSA-N 1 2 248.286 0.133 20 0 BCADLO Cc1ncsc1C[N@H+](C)CCS(N)(=O)=O ZINC000740878090 583978287 /nfs/dbraw/zinc/97/82/87/583978287.db2.gz VFCPMYXIVXYCEY-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO Cc1ncsc1C[N@@H+](C)CCS(N)(=O)=O ZINC000740878090 583978288 /nfs/dbraw/zinc/97/82/88/583978288.db2.gz VFCPMYXIVXYCEY-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]3CO)ccn12 ZINC000889156878 583981489 /nfs/dbraw/zinc/98/14/89/583981489.db2.gz HGZCLYXTUOFIEO-LLVKDONJSA-N 1 2 245.282 0.850 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]1CO ZINC000889157202 583981963 /nfs/dbraw/zinc/98/19/63/583981963.db2.gz NSNKHYZMMASTBL-NSHDSACASA-N 1 2 249.314 0.355 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]2CO)c[nH+]1 ZINC000889159450 583983143 /nfs/dbraw/zinc/98/31/43/583983143.db2.gz HKKFQUFMATWUOY-JTQLQIEISA-N 1 2 237.303 0.520 20 0 BCADLO Cc1nc(N[C@@H]2COC[C@@H]2C2CC2)nc(N)[nH+]1 ZINC000897450401 583985188 /nfs/dbraw/zinc/98/51/88/583985188.db2.gz IWMHKTRKSKYBBI-RKDXNWHRSA-N 1 2 235.291 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]1 ZINC000897450401 583985189 /nfs/dbraw/zinc/98/51/89/583985189.db2.gz IWMHKTRKSKYBBI-RKDXNWHRSA-N 1 2 235.291 0.599 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000897449160 583987118 /nfs/dbraw/zinc/98/71/18/583987118.db2.gz QCBCPZZAPDYDPF-HBNTYKKESA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)C(=O)OC ZINC000863381855 583990448 /nfs/dbraw/zinc/99/04/48/583990448.db2.gz SCSMSHLVICVUPY-VHSXEESVSA-N 1 2 241.287 0.789 20 0 BCADLO CCc1nc(N2CCCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000897553969 584017424 /nfs/dbraw/zinc/01/74/24/584017424.db2.gz IAAACKUCIJRUAN-VIFPVBQESA-N 1 2 234.303 0.754 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2cn(C)nn2)c[nH+]1 ZINC000897808064 584049850 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ZINC000900449600 584311910 /nfs/dbraw/zinc/31/19/10/584311910.db2.gz UFWRKQUCEYTRTB-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1cccc(CNC(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900449600 584311913 /nfs/dbraw/zinc/31/19/13/584311913.db2.gz UFWRKQUCEYTRTB-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO CC[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000900463241 584313788 /nfs/dbraw/zinc/31/37/88/584313788.db2.gz DAWUGDGPQVSVDE-LLVKDONJSA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@@](C)(NC(=O)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000900463241 584313789 /nfs/dbraw/zinc/31/37/89/584313789.db2.gz DAWUGDGPQVSVDE-LLVKDONJSA-N 1 2 239.275 0.410 20 0 BCADLO CCON(CC)C(=O)CNc1cc[nH+]c(C)n1 ZINC000858680028 588973881 /nfs/dbraw/zinc/97/38/81/588973881.db2.gz PVOJNXCDQVVIDJ-UHFFFAOYSA-N 1 2 238.291 0.997 20 0 BCADLO C/C(Cl)=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000900485650 584316550 /nfs/dbraw/zinc/31/65/50/584316550.db2.gz RSMVTJLLCKBHTC-TTZKWOQHSA-N 1 2 246.738 0.966 20 0 BCADLO C/C(Cl)=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000900485650 584316551 /nfs/dbraw/zinc/31/65/51/584316551.db2.gz RSMVTJLLCKBHTC-TTZKWOQHSA-N 1 2 246.738 0.966 20 0 BCADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cnoc1 ZINC000900473475 584317617 /nfs/dbraw/zinc/31/76/17/584317617.db2.gz FGFWVMQCOUFJRK-WPRPVWTQSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cnoc1 ZINC000900473475 584317618 /nfs/dbraw/zinc/31/76/18/584317618.db2.gz FGFWVMQCOUFJRK-WPRPVWTQSA-N 1 2 225.248 0.068 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900513273 584320127 /nfs/dbraw/zinc/32/01/27/584320127.db2.gz VEZDWQGXVKGXHP-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)CCF ZINC000900516693 584320517 /nfs/dbraw/zinc/32/05/17/584320517.db2.gz ACXPIDQVAQKRQY-UHFFFAOYSA-N 1 2 218.272 0.137 20 0 BCADLO CC[N@H+](CCNC(=O)c1[nH]ncc1F)C1CC1 ZINC000900554762 584322321 /nfs/dbraw/zinc/32/23/21/584322321.db2.gz YDASGNCXPQAMRN-UHFFFAOYSA-N 1 2 240.282 0.763 20 0 BCADLO CC[N@@H+](CCNC(=O)c1[nH]ncc1F)C1CC1 ZINC000900554762 584322322 /nfs/dbraw/zinc/32/23/22/584322322.db2.gz YDASGNCXPQAMRN-UHFFFAOYSA-N 1 2 240.282 0.763 20 0 BCADLO COCc1cn(CCn2cc[nH+]c2)nn1 ZINC000900562681 584325117 /nfs/dbraw/zinc/32/51/17/584325117.db2.gz WHNUCCAXAUAEQE-UHFFFAOYSA-N 1 2 207.237 0.321 20 0 BCADLO COCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000900544641 584325127 /nfs/dbraw/zinc/32/51/27/584325127.db2.gz IYDVMQZZSPVSSC-UHFFFAOYSA-N 1 2 221.264 0.711 20 0 BCADLO Cn1ccnc1CNC(=O)CNc1cccc[nH+]1 ZINC000900563734 584325828 /nfs/dbraw/zinc/32/58/28/584325828.db2.gz RJWGKBCEQQGECU-UHFFFAOYSA-N 1 2 245.286 0.543 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000900658659 584337038 /nfs/dbraw/zinc/33/70/38/584337038.db2.gz IJDJHBSOZSURNF-ZKXNXJMVSA-N 1 2 245.754 0.491 20 0 BCADLO C/C(Cl)=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000900658659 584337039 /nfs/dbraw/zinc/33/70/39/584337039.db2.gz IJDJHBSOZSURNF-ZKXNXJMVSA-N 1 2 245.754 0.491 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000900659234 584337168 /nfs/dbraw/zinc/33/71/68/584337168.db2.gz MGVLAQHBOZTHDY-MWLCHTKSSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H](CNC(=O)CCF)[NH+]1CCN(C)CC1 ZINC000900694607 584338942 /nfs/dbraw/zinc/33/89/42/584338942.db2.gz DZOPYZHLGBIMIP-SNVBAGLBSA-N 1 2 231.315 0.098 20 0 BCADLO CC(C)(O)[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670330 584339786 /nfs/dbraw/zinc/33/97/86/584339786.db2.gz GFUCQJWDFWJXDA-JTQLQIEISA-N 1 2 249.270 0.405 20 0 BCADLO CSCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900758225 584346291 /nfs/dbraw/zinc/34/62/91/584346291.db2.gz RIPAZDVESVSXLW-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CSCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900758225 584346292 /nfs/dbraw/zinc/34/62/92/584346292.db2.gz RIPAZDVESVSXLW-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO CSC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900762894 584347714 /nfs/dbraw/zinc/34/77/14/584347714.db2.gz GLSCPFQHKIDTBN-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO CSC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900762894 584347715 /nfs/dbraw/zinc/34/77/15/584347715.db2.gz 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NYMLDOHUZZUPMU-SECBINFHSA-N 1 2 234.271 0.403 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC000901597270 584467682 /nfs/dbraw/zinc/46/76/82/584467682.db2.gz VEQDZRQITDDYJY-KWQFWETISA-N 1 2 240.303 0.054 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC000901597272 584467886 /nfs/dbraw/zinc/46/78/86/584467886.db2.gz VEQDZRQITDDYJY-LDYMZIIASA-N 1 2 240.303 0.054 20 0 BCADLO Cn1c[nH+]cc1C[NH2+][C@@](C)(CCF)C(=O)[O-] ZINC000901915782 584503616 /nfs/dbraw/zinc/50/36/16/584503616.db2.gz PMUHGXPUHJEFII-JTQLQIEISA-N 1 2 229.255 0.713 20 0 BCADLO COc1cn(C[NH+]2CCOCC2)c(C)cc1=O ZINC000902024874 584512246 /nfs/dbraw/zinc/51/22/46/584512246.db2.gz AAUBBQWDPLBSMM-UHFFFAOYSA-N 1 2 238.287 0.455 20 0 BCADLO C[C@H]1CNC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000902154400 584531509 /nfs/dbraw/zinc/53/15/09/584531509.db2.gz HTRFXOHFQQMTGF-ZETCQYMHSA-N 1 2 234.259 0.352 20 0 BCADLO CCn1cnc(C[NH2+]CCS(=O)(=O)CC)c1 ZINC000902180750 584533112 /nfs/dbraw/zinc/53/31/12/584533112.db2.gz HOMPQAOZONGOGA-UHFFFAOYSA-N 1 2 245.348 0.427 20 0 BCADLO C[C@H]1OCC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H]1C ZINC000902186601 584533694 /nfs/dbraw/zinc/53/36/94/584533694.db2.gz UMAPJBGEAVBPOC-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@H]1OCC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@H]1C ZINC000902186601 584533695 /nfs/dbraw/zinc/53/36/95/584533695.db2.gz UMAPJBGEAVBPOC-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO Cn1c[nH+]cc1CCCN1CCCS1(=O)=O ZINC000902207744 584538256 /nfs/dbraw/zinc/53/82/56/584538256.db2.gz JFLOACVGAVRPKS-UHFFFAOYSA-N 1 2 243.332 0.388 20 0 BCADLO CC(C)c1nnnn1Cc1ccc(N)[nH+]c1 ZINC000902219415 584539769 /nfs/dbraw/zinc/53/97/69/584539769.db2.gz UXKNDVYGRZBDIS-UHFFFAOYSA-N 1 2 218.264 0.822 20 0 BCADLO CC[C@]1(C)C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902233006 584542337 /nfs/dbraw/zinc/54/23/37/584542337.db2.gz CWVIRXMISKNOOB-GMXVVIOVSA-N 1 2 238.331 0.923 20 0 BCADLO CC[C@]1(C)C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902233006 584542338 /nfs/dbraw/zinc/54/23/38/584542338.db2.gz CWVIRXMISKNOOB-GMXVVIOVSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)[C@@H](C)[C@H](C)O1 ZINC000902236495 584542969 /nfs/dbraw/zinc/54/29/69/584542969.db2.gz ZBJYFZGEXXJKRO-UTLUCORTSA-N 1 2 228.292 0.894 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)[C@@H](C)[C@H](C)O1 ZINC000902236495 584542970 /nfs/dbraw/zinc/54/29/70/584542970.db2.gz ZBJYFZGEXXJKRO-UTLUCORTSA-N 1 2 228.292 0.894 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)[C@@H](C)CO1 ZINC000902301427 584553994 /nfs/dbraw/zinc/55/39/94/584553994.db2.gz CZBISJAKVHSLLP-VHSXEESVSA-N 1 2 228.292 0.895 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)[C@@H](C)CO1 ZINC000902301427 584553995 /nfs/dbraw/zinc/55/39/95/584553995.db2.gz CZBISJAKVHSLLP-VHSXEESVSA-N 1 2 228.292 0.895 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccnc(F)c1 ZINC000859067960 588996457 /nfs/dbraw/zinc/99/64/57/588996457.db2.gz PBEUXGPNZFXBQF-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859067960 588996458 /nfs/dbraw/zinc/99/64/58/588996458.db2.gz PBEUXGPNZFXBQF-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO Nc1ccc(COCCc2cn[nH]n2)c[nH+]1 ZINC000902422398 584592715 /nfs/dbraw/zinc/59/27/15/584592715.db2.gz KMWLLRFVAOQMRR-UHFFFAOYSA-N 1 2 219.248 0.541 20 0 BCADLO Cc1cc(C)n(CCc2c[nH+]cn2C)c(=O)n1 ZINC000902510036 584622460 /nfs/dbraw/zinc/62/24/60/584622460.db2.gz RLGMRPVWQDVBNZ-UHFFFAOYSA-N 1 2 232.287 0.836 20 0 BCADLO CC(=O)c1nn(C)cc1OCc1c[nH+]cn1C ZINC000902619223 584643971 /nfs/dbraw/zinc/64/39/71/584643971.db2.gz RAJWAUFXDWUVLV-UHFFFAOYSA-N 1 2 234.259 0.935 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000902623049 584645243 /nfs/dbraw/zinc/64/52/43/584645243.db2.gz TYUNOMODDAFSJD-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO O=C1CCCN1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000902623049 584645245 /nfs/dbraw/zinc/64/52/45/584645245.db2.gz TYUNOMODDAFSJD-JTQLQIEISA-N 1 2 240.303 0.404 20 0 BCADLO CCc1nnc(C[NH2+]CC2OCCCO2)s1 ZINC000902621993 584645285 /nfs/dbraw/zinc/64/52/85/584645285.db2.gz ILXCLHQPSFGBPA-UHFFFAOYSA-N 1 2 243.332 0.953 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000902623055 584645387 /nfs/dbraw/zinc/64/53/87/584645387.db2.gz TYUNOMODDAFSJD-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO O=C1CCCN1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000902623055 584645388 /nfs/dbraw/zinc/64/53/88/584645388.db2.gz TYUNOMODDAFSJD-SNVBAGLBSA-N 1 2 240.303 0.404 20 0 BCADLO O=C1OCCN1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000902622997 584645405 /nfs/dbraw/zinc/64/54/05/584645405.db2.gz SOMWZSNPISXXKJ-SECBINFHSA-N 1 2 242.275 0.233 20 0 BCADLO O=C1OCCN1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000902622997 584645406 /nfs/dbraw/zinc/64/54/06/584645406.db2.gz SOMWZSNPISXXKJ-SECBINFHSA-N 1 2 242.275 0.233 20 0 BCADLO O=C1c2ccccc2CN1C[N@H+]1CC[C@H]1CO ZINC000902629694 584646487 /nfs/dbraw/zinc/64/64/87/584646487.db2.gz HXYRAHBJTIBPHO-NSHDSACASA-N 1 2 232.283 0.667 20 0 BCADLO O=C1c2ccccc2CN1C[N@@H+]1CC[C@H]1CO ZINC000902629694 584646488 /nfs/dbraw/zinc/64/64/88/584646488.db2.gz HXYRAHBJTIBPHO-NSHDSACASA-N 1 2 232.283 0.667 20 0 BCADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631263 584646832 /nfs/dbraw/zinc/64/68/32/584646832.db2.gz GLVUDJBWUJGJSZ-QWRGUYRKSA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631263 584646833 /nfs/dbraw/zinc/64/68/33/584646833.db2.gz GLVUDJBWUJGJSZ-QWRGUYRKSA-N 1 2 226.320 0.659 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000902630799 584646879 /nfs/dbraw/zinc/64/68/79/584646879.db2.gz DDIPFMZRZBSVMQ-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000902630799 584646881 /nfs/dbraw/zinc/64/68/81/584646881.db2.gz DDIPFMZRZBSVMQ-GFCCVEGCSA-N 1 2 244.298 0.969 20 0 BCADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@@H]1CO ZINC000902631132 584646936 /nfs/dbraw/zinc/64/69/36/584646936.db2.gz GDXRODSOUVVWIV-UTUOFQBUSA-N 1 2 238.331 0.802 20 0 BCADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@@H]1CO ZINC000902631132 584646937 /nfs/dbraw/zinc/64/69/37/584646937.db2.gz GDXRODSOUVVWIV-UTUOFQBUSA-N 1 2 238.331 0.802 20 0 BCADLO O=C1SCCN1C[N@H+]1CC[C@H]1CO ZINC000902630849 584647003 /nfs/dbraw/zinc/64/70/03/584647003.db2.gz QZKSSKQLEOPHFR-ZETCQYMHSA-N 1 2 202.279 0.179 20 0 BCADLO O=C1SCCN1C[N@@H+]1CC[C@H]1CO ZINC000902630849 584647004 /nfs/dbraw/zinc/64/70/04/584647004.db2.gz QZKSSKQLEOPHFR-ZETCQYMHSA-N 1 2 202.279 0.179 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1nccc1-c1ccncc1 ZINC000902633075 584647567 /nfs/dbraw/zinc/64/75/67/584647567.db2.gz QLOSJEHICCRMIK-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1nccc1-c1ccncc1 ZINC000902633075 584647568 /nfs/dbraw/zinc/64/75/68/584647568.db2.gz QLOSJEHICCRMIK-LBPRGKRZSA-N 1 2 244.298 0.969 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902633941 584647648 /nfs/dbraw/zinc/64/76/48/584647648.db2.gz YIESAKBUNKRVKL-ZYHUDNBSSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902633941 584647649 /nfs/dbraw/zinc/64/76/49/584647649.db2.gz YIESAKBUNKRVKL-ZYHUDNBSSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902633377 584647716 /nfs/dbraw/zinc/64/77/16/584647716.db2.gz ULFFCEAISYWRLR-SKDRFNHKSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902633377 584647718 /nfs/dbraw/zinc/64/77/18/584647718.db2.gz ULFFCEAISYWRLR-SKDRFNHKSA-N 1 2 240.303 0.186 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902633940 584647856 /nfs/dbraw/zinc/64/78/56/584647856.db2.gz YIESAKBUNKRVKL-PWSUYJOCSA-N 1 2 226.320 0.659 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902633940 584647857 /nfs/dbraw/zinc/64/78/57/584647857.db2.gz YIESAKBUNKRVKL-PWSUYJOCSA-N 1 2 226.320 0.659 20 0 BCADLO C[C@H]1C(=O)N(C[N@@H+]2CC[C@@H]2CO)C[C@H]1C ZINC000902634235 584648625 /nfs/dbraw/zinc/64/86/25/584648625.db2.gz CWEYZDGCRAODFR-OPRDCNLKSA-N 1 2 212.293 0.125 20 0 BCADLO C[C@H]1C(=O)N(C[N@H+]2CC[C@@H]2CO)C[C@H]1C ZINC000902634235 584648626 /nfs/dbraw/zinc/64/86/26/584648626.db2.gz CWEYZDGCRAODFR-OPRDCNLKSA-N 1 2 212.293 0.125 20 0 BCADLO CNC(=O)c1c(C)[nH]nc1NCc1[nH+]ccn1C ZINC000902666865 584653449 /nfs/dbraw/zinc/65/34/49/584653449.db2.gz WCYPDUBDUQUNPO-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1nn(C)cc1C ZINC000902717805 584657986 /nfs/dbraw/zinc/65/79/86/584657986.db2.gz UKJIGRRHGURMCR-QMMMGPOBSA-N 1 2 226.280 0.762 20 0 BCADLO Cc1nnc(CCO[NH+]=C(N)COC(C)C)o1 ZINC000902702340 584658671 /nfs/dbraw/zinc/65/86/71/584658671.db2.gz VDUYOABBTXUBSJ-UHFFFAOYSA-N 1 2 242.279 0.844 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000859072690 588997164 /nfs/dbraw/zinc/99/71/64/588997164.db2.gz PARNYIIYAIOUEL-UWVGGRQHSA-N 1 2 230.308 0.842 20 0 BCADLO CCCOC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000859072690 588997165 /nfs/dbraw/zinc/99/71/65/588997165.db2.gz PARNYIIYAIOUEL-UWVGGRQHSA-N 1 2 230.308 0.842 20 0 BCADLO O=C(CCO)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000902792770 584673507 /nfs/dbraw/zinc/67/35/07/584673507.db2.gz VNLMTRPHOXUMBO-UHFFFAOYSA-N 1 2 249.314 0.680 20 0 BCADLO Cc1cccn2cc(CNC(=O)CCO)[nH+]c12 ZINC000902917302 584692043 /nfs/dbraw/zinc/69/20/43/584692043.db2.gz APXKSULWFNBKSY-UHFFFAOYSA-N 1 2 233.271 0.641 20 0 BCADLO C[C@@H]1CCN(C(=O)CCO)C[C@@H]1n1cc[nH+]c1 ZINC000902901117 584693356 /nfs/dbraw/zinc/69/33/56/584693356.db2.gz PQCMPYGZXVEJRH-MNOVXSKESA-N 1 2 237.303 0.675 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCO)C1 ZINC000902929415 584698439 /nfs/dbraw/zinc/69/84/39/584698439.db2.gz YGDQCDYQINJVAP-JTQLQIEISA-N 1 2 237.303 0.509 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000902933869 584699842 /nfs/dbraw/zinc/69/98/42/584699842.db2.gz MYFRYXMMNPYISN-JTQLQIEISA-N 1 2 235.287 0.651 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000902933869 584699844 /nfs/dbraw/zinc/69/98/44/584699844.db2.gz MYFRYXMMNPYISN-JTQLQIEISA-N 1 2 235.287 0.651 20 0 BCADLO Cc1nnc(C(=O)NC[C@H]2CC[N@H+]2C)s1 ZINC000902935383 584699848 /nfs/dbraw/zinc/69/98/48/584699848.db2.gz WCUYERDEGUSUGN-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO Cc1nnc(C(=O)NC[C@H]2CC[N@@H+]2C)s1 ZINC000902935383 584699849 /nfs/dbraw/zinc/69/98/49/584699849.db2.gz WCUYERDEGUSUGN-SSDOTTSWSA-N 1 2 226.305 0.280 20 0 BCADLO C[C@H](C[N@@H+]1CCC[C@@H](F)C1)S(C)(=O)=O ZINC000902992310 584711119 /nfs/dbraw/zinc/71/11/19/584711119.db2.gz JOMHUWTVFHKLOJ-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@H](C[N@H+]1CCC[C@@H](F)C1)S(C)(=O)=O ZINC000902992310 584711122 /nfs/dbraw/zinc/71/11/22/584711122.db2.gz JOMHUWTVFHKLOJ-RKDXNWHRSA-N 1 2 223.313 0.853 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NCC1CC1 ZINC000902996507 584714035 /nfs/dbraw/zinc/71/40/35/584714035.db2.gz SXUWWRLLGHMOKE-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NCC1CC1 ZINC000902996507 584714036 /nfs/dbraw/zinc/71/40/36/584714036.db2.gz SXUWWRLLGHMOKE-SNVBAGLBSA-N 1 2 214.284 0.947 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NC[C@H]1CCCO1 ZINC000903002658 584716110 /nfs/dbraw/zinc/71/61/10/584716110.db2.gz DTJLQTIDGOWVOK-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NC[C@H]1CCCO1 ZINC000903002658 584716111 /nfs/dbraw/zinc/71/61/11/584716111.db2.gz DTJLQTIDGOWVOK-GHMZBOCLSA-N 1 2 244.310 0.716 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002764 584716422 /nfs/dbraw/zinc/71/64/22/584716422.db2.gz GWDZVEMGTNLKGT-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002764 584716424 /nfs/dbraw/zinc/71/64/24/584716424.db2.gz GWDZVEMGTNLKGT-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO O=C(C[N@H+]1CCC[C@H](F)C1)NC(=O)NC1CC1 ZINC000903003567 584716855 /nfs/dbraw/zinc/71/68/55/584716855.db2.gz OOFATGSIKVHPGU-QMMMGPOBSA-N 1 2 243.282 0.409 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NC(=O)NC1CC1 ZINC000903003567 584716856 /nfs/dbraw/zinc/71/68/56/584716856.db2.gz OOFATGSIKVHPGU-QMMMGPOBSA-N 1 2 243.282 0.409 20 0 BCADLO CCc1noc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000903036627 584719560 /nfs/dbraw/zinc/71/95/60/584719560.db2.gz MVFNTQJVUVAGBO-UHFFFAOYSA-N 1 2 235.247 0.296 20 0 BCADLO c1nonc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903024598 584721546 /nfs/dbraw/zinc/72/15/46/584721546.db2.gz VJZVLKLHDRQVEY-SECBINFHSA-N 1 2 246.274 0.546 20 0 BCADLO c1nonc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903024598 584721547 /nfs/dbraw/zinc/72/15/47/584721547.db2.gz VJZVLKLHDRQVEY-SECBINFHSA-N 1 2 246.274 0.546 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)OCCF ZINC000859140192 589008030 /nfs/dbraw/zinc/00/80/30/589008030.db2.gz ZYNBBWJYNIQUPD-SNVBAGLBSA-N 1 2 248.298 0.745 20 0 BCADLO CC1(C)C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557319 584783089 /nfs/dbraw/zinc/78/30/89/584783089.db2.gz NORLXDQPGZVJNM-MNOVXSKESA-N 1 2 239.363 0.177 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)OCCF ZINC000859163852 589012445 /nfs/dbraw/zinc/01/24/45/589012445.db2.gz RLWKQMBURQDYMI-UHFFFAOYSA-N 1 2 201.201 0.616 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)nn1 ZINC000904315381 584863608 /nfs/dbraw/zinc/86/36/08/584863608.db2.gz AYSGVSKCAWJPEK-LLVKDONJSA-N 1 2 249.318 0.015 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)nn1 ZINC000904315381 584863609 /nfs/dbraw/zinc/86/36/09/584863609.db2.gz AYSGVSKCAWJPEK-LLVKDONJSA-N 1 2 249.318 0.015 20 0 BCADLO Fc1cccn2cc(C[NH2+][C@@H]3CNOC3)nc12 ZINC000904424979 584880956 /nfs/dbraw/zinc/88/09/56/584880956.db2.gz SYPDIYAGANOQFU-SECBINFHSA-N 1 2 236.250 0.466 20 0 BCADLO Fc1cccc(F)c1C[NH2+][C@H]1CNOC1 ZINC000904426769 584881537 /nfs/dbraw/zinc/88/15/37/584881537.db2.gz HZAYOYFOVSQDOG-ZETCQYMHSA-N 1 2 214.215 0.958 20 0 BCADLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CNOC1 ZINC000904421147 584882118 /nfs/dbraw/zinc/88/21/18/584882118.db2.gz QCOMVUMVKIONPD-SSDOTTSWSA-N 1 2 230.699 0.375 20 0 BCADLO Cc1nc([C@H]2CC[N@H+](CC[S@@](C)=O)C2)n[nH]1 ZINC000828626666 584903924 /nfs/dbraw/zinc/90/39/24/584903924.db2.gz JQRHCFKLZACXRU-XXFAHNHDSA-N 1 2 242.348 0.281 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+](CC[S@@](C)=O)C2)n[nH]1 ZINC000828626666 584903925 /nfs/dbraw/zinc/90/39/25/584903925.db2.gz JQRHCFKLZACXRU-XXFAHNHDSA-N 1 2 242.348 0.281 20 0 BCADLO Cn1cnn(C[N@@H+]2CC[C@H](c3ccco3)C2)c1=O ZINC000758320488 584905618 /nfs/dbraw/zinc/90/56/18/584905618.db2.gz GMPJKVPXSYXPPH-JTQLQIEISA-N 1 2 248.286 0.622 20 0 BCADLO Cn1cnn(C[N@H+]2CC[C@H](c3ccco3)C2)c1=O ZINC000758320488 584905619 /nfs/dbraw/zinc/90/56/19/584905619.db2.gz GMPJKVPXSYXPPH-JTQLQIEISA-N 1 2 248.286 0.622 20 0 BCADLO C[C@H]1N(C(=O)Cc2[nH]cc[nH+]2)CCOC1(C)C ZINC000830332140 584908248 /nfs/dbraw/zinc/90/82/48/584908248.db2.gz QJHIHEIGODUDJF-SECBINFHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831732714 584910955 /nfs/dbraw/zinc/91/09/55/584910955.db2.gz NNMPRZUUXRMSKS-NXEZZACHSA-N 1 2 237.303 0.714 20 0 BCADLO CCOC(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000731870674 584930217 /nfs/dbraw/zinc/93/02/17/584930217.db2.gz TZAIBWUAOQWRCW-ZCFIWIBFSA-N 1 2 225.248 0.400 20 0 BCADLO O=C1CN(c2cc[nH+]c(C3CC3)n2)CCCN1 ZINC000732031894 584933092 /nfs/dbraw/zinc/93/30/92/584933092.db2.gz ZZFBEHLYKGIZCD-UHFFFAOYSA-N 1 2 232.287 0.680 20 0 BCADLO Cc1cc(NC(=O)[C@@H](O)c2cccnc2)cc[nH+]1 ZINC000732262629 584934978 /nfs/dbraw/zinc/93/49/78/584934978.db2.gz VTGDTEORLUDBBA-LBPRGKRZSA-N 1 2 243.266 0.879 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCCNC(=O)[C@@H]2C)C1 ZINC000788049187 584940667 /nfs/dbraw/zinc/94/06/67/584940667.db2.gz ZRCOYLTZYZUMRW-ZJUUUORDSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@@H]1CC(=O)N(C[N@H+]2CCCNC(=O)[C@@H]2C)C1 ZINC000788049187 584940668 /nfs/dbraw/zinc/94/06/68/584940668.db2.gz ZRCOYLTZYZUMRW-ZJUUUORDSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CCOC1 ZINC000755121067 584944981 /nfs/dbraw/zinc/94/49/81/584944981.db2.gz WESUPCRNDLAXJK-LLVKDONJSA-N 1 2 224.260 0.853 20 0 BCADLO CCCN(CC(N)=O)c1cc[nH+]c(CC)n1 ZINC000884514117 584954995 /nfs/dbraw/zinc/95/49/95/584954995.db2.gz ABCRLFLZZDHFQV-UHFFFAOYSA-N 1 2 222.292 0.741 20 0 BCADLO CCc1nc(N2CC[C@H](NC(C)=O)C2)cc[nH+]1 ZINC000884533229 584957007 /nfs/dbraw/zinc/95/70/07/584957007.db2.gz BVOYGMHVXVXZKE-JTQLQIEISA-N 1 2 234.303 0.754 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC000734148359 584957551 /nfs/dbraw/zinc/95/75/51/584957551.db2.gz ZLQZDINYGLXPPO-UHFFFAOYSA-N 1 2 238.291 0.479 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)C1CC1 ZINC000734148419 584957725 /nfs/dbraw/zinc/95/77/25/584957725.db2.gz YLOXTGWKOQLMOG-SECBINFHSA-N 1 2 233.275 0.546 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1=COCC1 ZINC000734126602 584958516 /nfs/dbraw/zinc/95/85/16/584958516.db2.gz DNXKETOJHIYFNF-UHFFFAOYSA-N 1 2 240.303 0.081 20 0 BCADLO C[C@H](O)CC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816935094 584982122 /nfs/dbraw/zinc/98/21/22/584982122.db2.gz JOMQCUATPAWQEJ-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1c2cccn2CC[N@H+]1CCS(N)(=O)=O ZINC000735884401 584983185 /nfs/dbraw/zinc/98/31/85/584983185.db2.gz ZXSYLLOHOOBSIH-SECBINFHSA-N 1 2 243.332 0.153 20 0 BCADLO C[C@@H]1c2cccn2CC[N@@H+]1CCS(N)(=O)=O ZINC000735884401 584983186 /nfs/dbraw/zinc/98/31/86/584983186.db2.gz ZXSYLLOHOOBSIH-SECBINFHSA-N 1 2 243.332 0.153 20 0 BCADLO NS(=O)(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000735918914 584984363 /nfs/dbraw/zinc/98/43/63/584984363.db2.gz CLMZQYNEJJMMJB-UHFFFAOYSA-N 1 2 246.357 0.395 20 0 BCADLO NS(=O)(=O)CC[N@H+]1CCc2sccc2C1 ZINC000735918914 584984364 /nfs/dbraw/zinc/98/43/64/584984364.db2.gz CLMZQYNEJJMMJB-UHFFFAOYSA-N 1 2 246.357 0.395 20 0 BCADLO COC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736966726 585020852 /nfs/dbraw/zinc/02/08/52/585020852.db2.gz YVPBRAOFMDEEEE-UHFFFAOYSA-N 1 2 245.286 0.697 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H](O)C(C)(C)C)c1 ZINC000890109064 585023781 /nfs/dbraw/zinc/02/37/81/585023781.db2.gz AFFDTYHHTADVDH-VIFPVBQESA-N 1 2 225.292 0.443 20 0 BCADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)c(=O)[nH]1 ZINC000890117067 585024211 /nfs/dbraw/zinc/02/42/11/585024211.db2.gz LBFWIKBSUCXBDO-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824096341 585028696 /nfs/dbraw/zinc/02/86/96/585028696.db2.gz LHMFKMFWSWHGRF-YEZKRMTDSA-N 1 2 237.303 0.663 20 0 BCADLO O=C1C[N@H+](Cc2ccc3c(n2)CCC3)CCCN1 ZINC000838806002 585069375 /nfs/dbraw/zinc/06/93/75/585069375.db2.gz OEMVDSPHNRDRPU-UHFFFAOYSA-N 1 2 245.326 0.892 20 0 BCADLO O=C1C[N@@H+](Cc2ccc3c(n2)CCC3)CCCN1 ZINC000838806002 585069376 /nfs/dbraw/zinc/06/93/76/585069376.db2.gz OEMVDSPHNRDRPU-UHFFFAOYSA-N 1 2 245.326 0.892 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C ZINC000838902782 585077118 /nfs/dbraw/zinc/07/71/18/585077118.db2.gz YZGPGGRUNPVIGN-UWVGGRQHSA-N 1 2 229.320 0.935 20 0 BCADLO CC(C)[C@H](C(=O)OCc1c[nH]nn1)[NH+](C)C ZINC000838897528 585079059 /nfs/dbraw/zinc/07/90/59/585079059.db2.gz IKHPGUKBRUSDRD-SECBINFHSA-N 1 2 226.280 0.434 20 0 BCADLO C[N@H+](CCCN1CCOC1=O)Cc1ccon1 ZINC000739932196 585086864 /nfs/dbraw/zinc/08/68/64/585086864.db2.gz YGRLFHCQMSHGNM-UHFFFAOYSA-N 1 2 239.275 0.949 20 0 BCADLO C[N@@H+](CCCN1CCOC1=O)Cc1ccon1 ZINC000739932196 585086865 /nfs/dbraw/zinc/08/68/65/585086865.db2.gz YGRLFHCQMSHGNM-UHFFFAOYSA-N 1 2 239.275 0.949 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000839020186 585087664 /nfs/dbraw/zinc/08/76/64/585087664.db2.gz YXEPGEVXSJQSHX-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000839020186 585087665 /nfs/dbraw/zinc/08/76/65/585087665.db2.gz YXEPGEVXSJQSHX-LLVKDONJSA-N 1 2 242.319 0.492 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000839089474 585090439 /nfs/dbraw/zinc/09/04/39/585090439.db2.gz JLNJGWRXEBQDIF-PHIMTYICSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000839089474 585090440 /nfs/dbraw/zinc/09/04/40/585090440.db2.gz JLNJGWRXEBQDIF-PHIMTYICSA-N 1 2 224.308 0.907 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cnn(C)c2Cl)C1 ZINC000839145278 585092031 /nfs/dbraw/zinc/09/20/31/585092031.db2.gz YGSVBAQOQBXLPM-UHFFFAOYSA-N 1 2 242.710 0.251 20 0 BCADLO CCn1nc(C)c(C[NH+]2CC(C(C)(C)O)C2)n1 ZINC000839139736 585094350 /nfs/dbraw/zinc/09/43/50/585094350.db2.gz KNVOWBPAPFLKRM-UHFFFAOYSA-N 1 2 238.335 0.809 20 0 BCADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC000741145697 585110291 /nfs/dbraw/zinc/11/02/91/585110291.db2.gz ZRSDUMQLFQGFDC-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC000741145697 585110292 /nfs/dbraw/zinc/11/02/92/585110292.db2.gz ZRSDUMQLFQGFDC-VHSXEESVSA-N 1 2 242.319 0.491 20 0 BCADLO CC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147601 585110549 /nfs/dbraw/zinc/11/05/49/585110549.db2.gz VYJNXEWTPVFOAB-UWVGGRQHSA-N 1 2 213.277 0.991 20 0 BCADLO CC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147601 585110550 /nfs/dbraw/zinc/11/05/50/585110550.db2.gz VYJNXEWTPVFOAB-UWVGGRQHSA-N 1 2 213.277 0.991 20 0 BCADLO Cc1nn(C)cc1NC(=O)CCn1cc[nH+]c1 ZINC000741192155 585111162 /nfs/dbraw/zinc/11/11/62/585111162.db2.gz JMJOCZONEAGSAC-UHFFFAOYSA-N 1 2 233.275 0.954 20 0 BCADLO CCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741288196 585112372 /nfs/dbraw/zinc/11/23/72/585112372.db2.gz GCDMHNNEDNZRDM-INIZCTEOSA-N 1 2 246.376 0.309 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195064 585122952 /nfs/dbraw/zinc/12/29/52/585122952.db2.gz FDMVRNHERMXGMX-DTWKUNHWSA-N 1 2 216.350 0.900 20 0 BCADLO CS[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195064 585122953 /nfs/dbraw/zinc/12/29/53/585122953.db2.gz FDMVRNHERMXGMX-DTWKUNHWSA-N 1 2 216.350 0.900 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000743349694 585135719 /nfs/dbraw/zinc/13/57/19/585135719.db2.gz GNLSCRDGHRSLSS-MRVPVSSYSA-N 1 2 241.316 0.624 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000743349694 585135720 /nfs/dbraw/zinc/13/57/20/585135720.db2.gz GNLSCRDGHRSLSS-MRVPVSSYSA-N 1 2 241.316 0.624 20 0 BCADLO C[N@H+](Cn1cc[nH]c1=S)[C@H]1CCOC1 ZINC000743362029 585135823 /nfs/dbraw/zinc/13/58/23/585135823.db2.gz DAZMSCBVJPJBCF-QMMMGPOBSA-N 1 2 213.306 0.850 20 0 BCADLO C[N@@H+](Cn1cc[nH]c1=S)[C@H]1CCOC1 ZINC000743362029 585135824 /nfs/dbraw/zinc/13/58/24/585135824.db2.gz DAZMSCBVJPJBCF-QMMMGPOBSA-N 1 2 213.306 0.850 20 0 BCADLO CC(C)[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745078413 585156377 /nfs/dbraw/zinc/15/63/77/585156377.db2.gz DPSDZLZTGRWEMO-VHSXEESVSA-N 1 2 242.319 0.524 20 0 BCADLO CC(C)[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC000745078413 585156378 /nfs/dbraw/zinc/15/63/78/585156378.db2.gz DPSDZLZTGRWEMO-VHSXEESVSA-N 1 2 242.319 0.524 20 0 BCADLO Cc1noc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000745083481 585156746 /nfs/dbraw/zinc/15/67/46/585156746.db2.gz WNEUZHKVKCSDDS-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO Cc1noc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000745083481 585156747 /nfs/dbraw/zinc/15/67/47/585156747.db2.gz WNEUZHKVKCSDDS-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO Cc1cccc(NCCNC(=O)c2nnc[nH]2)[nH+]1 ZINC000746194747 585164856 /nfs/dbraw/zinc/16/48/56/585164856.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1cccc(NCCNC(=O)c2ncn[nH]2)[nH+]1 ZINC000746194747 585164857 /nfs/dbraw/zinc/16/48/57/585164857.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1cccc(NCCNC(=O)c2nc[nH]n2)[nH+]1 ZINC000746194747 585164858 /nfs/dbraw/zinc/16/48/58/585164858.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCF)CC1 ZINC000746499651 585168856 /nfs/dbraw/zinc/16/88/56/585168856.db2.gz NZCNYHOOLDITTE-JTQLQIEISA-N 1 2 243.326 0.241 20 0 BCADLO COCC[NH+](CCOC)CN1CCSC1=O ZINC000747451483 585179033 /nfs/dbraw/zinc/17/90/33/585179033.db2.gz RTSQKQDFICOFHS-UHFFFAOYSA-N 1 2 248.348 0.708 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)C1CC1 ZINC000747658876 585181876 /nfs/dbraw/zinc/18/18/76/585181876.db2.gz WLAKPSPLJCIZRW-JTQLQIEISA-N 1 2 236.319 0.427 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)C1CC1 ZINC000747658876 585181877 /nfs/dbraw/zinc/18/18/77/585181877.db2.gz WLAKPSPLJCIZRW-JTQLQIEISA-N 1 2 236.319 0.427 20 0 BCADLO CO[C@@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000747700623 585182599 /nfs/dbraw/zinc/18/25/99/585182599.db2.gz UXCYUDZUSVVDGR-JTQLQIEISA-N 1 2 231.292 0.287 20 0 BCADLO CCO[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747780037 585184323 /nfs/dbraw/zinc/18/43/23/585184323.db2.gz AVTVYZXBUWFFDI-MRVPVSSYSA-N 1 2 212.249 0.888 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2[nH+]ccn2CC)C1=O ZINC000747837528 585185047 /nfs/dbraw/zinc/18/50/47/585185047.db2.gz NDYZSKWDQWHIJZ-MRVPVSSYSA-N 1 2 236.275 0.733 20 0 BCADLO COC[C@@H](C)O[NH+]=C(N)COC(C)C ZINC000748097505 585187033 /nfs/dbraw/zinc/18/70/33/585187033.db2.gz MSUKPKJBHMDRIZ-MRVPVSSYSA-N 1 2 204.270 0.945 20 0 BCADLO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748346375 585191288 /nfs/dbraw/zinc/19/12/88/585191288.db2.gz BOJMLMPRPUWQJN-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ocnc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748346375 585191289 /nfs/dbraw/zinc/19/12/89/585191289.db2.gz BOJMLMPRPUWQJN-MRVPVSSYSA-N 1 2 223.276 0.759 20 0 BCADLO CCOCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748459156 585193321 /nfs/dbraw/zinc/19/33/21/585193321.db2.gz NQJTVRUWAQJQQO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748459156 585193322 /nfs/dbraw/zinc/19/33/22/585193322.db2.gz NQJTVRUWAQJQQO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(Cl)[nH]n2)C1 ZINC000749553483 585203709 /nfs/dbraw/zinc/20/37/09/585203709.db2.gz OAIYTXBYVQDWNX-LURJTMIESA-N 1 2 244.682 0.332 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(Cl)[nH]n2)C1 ZINC000749553483 585203710 /nfs/dbraw/zinc/20/37/10/585203710.db2.gz OAIYTXBYVQDWNX-LURJTMIESA-N 1 2 244.682 0.332 20 0 BCADLO COCC[N@H+](C)CCS(=O)(=O)C(C)C ZINC000749796164 585206223 /nfs/dbraw/zinc/20/62/23/585206223.db2.gz GXJKGLAHBIURLY-UHFFFAOYSA-N 1 2 223.338 0.388 20 0 BCADLO COCC[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000749796164 585206224 /nfs/dbraw/zinc/20/62/24/585206224.db2.gz GXJKGLAHBIURLY-UHFFFAOYSA-N 1 2 223.338 0.388 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C=O)[nH]1 ZINC000749978787 585209157 /nfs/dbraw/zinc/20/91/57/585209157.db2.gz XHSVWDQHKLERRR-UHFFFAOYSA-N 1 2 246.270 0.833 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000750214796 585212167 /nfs/dbraw/zinc/21/21/67/585212167.db2.gz DZKARRCELOWWFR-LTMVXPGCSA-N 1 2 238.740 0.362 20 0 BCADLO CNS(=O)(=O)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000750214796 585212168 /nfs/dbraw/zinc/21/21/68/585212168.db2.gz DZKARRCELOWWFR-LTMVXPGCSA-N 1 2 238.740 0.362 20 0 BCADLO CCn1cc[nH+]c1CN1C(=O)N[C@@H](C)C1=O ZINC000750535269 585217245 /nfs/dbraw/zinc/21/72/45/585217245.db2.gz YLEXOSLNYBZVQZ-ZETCQYMHSA-N 1 2 222.248 0.343 20 0 BCADLO CC(C)=CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750745513 585219286 /nfs/dbraw/zinc/21/92/86/585219286.db2.gz AXZAIARTMXVILF-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750745513 585219287 /nfs/dbraw/zinc/21/92/87/585219287.db2.gz AXZAIARTMXVILF-LLVKDONJSA-N 1 2 226.320 0.790 20 0 BCADLO CS/C=C\C(=O)NCC[NH+]1CCOCC1 ZINC000751459306 585230466 /nfs/dbraw/zinc/23/04/66/585230466.db2.gz XELKJZUJHDHONI-MBXJOHMKSA-N 1 2 230.333 0.312 20 0 BCADLO Nc1ccc(CCC(=O)O[C@H]2CCNC2=O)c[nH+]1 ZINC000751455772 585230502 /nfs/dbraw/zinc/23/05/02/585230502.db2.gz KXFQHBGTGCPDCR-VIFPVBQESA-N 1 2 249.270 0.028 20 0 BCADLO CS/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000751579818 585233471 /nfs/dbraw/zinc/23/34/71/585233471.db2.gz NONAKEHYOPUERH-XVNBXDOJSA-N 1 2 211.290 0.945 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000752087153 585241812 /nfs/dbraw/zinc/24/18/12/585241812.db2.gz HKJAKNDLPCSEFS-LLVKDONJSA-N 1 2 246.282 0.052 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000752087153 585241813 /nfs/dbraw/zinc/24/18/13/585241813.db2.gz HKJAKNDLPCSEFS-LLVKDONJSA-N 1 2 246.282 0.052 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000752096314 585242488 /nfs/dbraw/zinc/24/24/88/585242488.db2.gz XWOPZIYXRKBJAC-GZMMTYOYSA-N 1 2 246.282 0.050 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000752096314 585242489 /nfs/dbraw/zinc/24/24/89/585242489.db2.gz XWOPZIYXRKBJAC-GZMMTYOYSA-N 1 2 246.282 0.050 20 0 BCADLO Cc1cccc(C[N@H+](C)CCS(N)(=O)=O)n1 ZINC000752297065 585244421 /nfs/dbraw/zinc/24/44/21/585244421.db2.gz OUAFVSRTMPINTD-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cccc(C[N@@H+](C)CCS(N)(=O)=O)n1 ZINC000752297065 585244422 /nfs/dbraw/zinc/24/44/22/585244422.db2.gz OUAFVSRTMPINTD-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1c[nH+]cn1C ZINC000752950048 585251526 /nfs/dbraw/zinc/25/15/26/585251526.db2.gz DVSZCIDSCTVVRT-SNVBAGLBSA-N 1 2 225.292 0.587 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1c[nH+]cn1C ZINC000752950046 585251674 /nfs/dbraw/zinc/25/16/74/585251674.db2.gz DVSZCIDSCTVVRT-JTQLQIEISA-N 1 2 225.292 0.587 20 0 BCADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)nc1 ZINC000752976963 585252034 /nfs/dbraw/zinc/25/20/34/585252034.db2.gz VQXBSXKFRDHLNW-UHFFFAOYSA-N 1 2 219.288 0.778 20 0 BCADLO CON(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000753476545 585259584 /nfs/dbraw/zinc/25/95/84/585259584.db2.gz RWGULYAYZWFOKH-UHFFFAOYSA-N 1 2 245.323 0.300 20 0 BCADLO CON(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000753476545 585259585 /nfs/dbraw/zinc/25/95/85/585259585.db2.gz RWGULYAYZWFOKH-UHFFFAOYSA-N 1 2 245.323 0.300 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cnsn1 ZINC000753678380 585266315 /nfs/dbraw/zinc/26/63/15/585266315.db2.gz JQLCEVRLCRNBKU-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO CCC(=O)CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000753684797 585266319 /nfs/dbraw/zinc/26/63/19/585266319.db2.gz INSKNPDAGMEZSU-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000753733432 585267436 /nfs/dbraw/zinc/26/74/36/585267436.db2.gz QEQWPYAKUUDERK-UHFFFAOYSA-N 1 2 224.304 0.662 20 0 BCADLO CCC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000753733432 585267437 /nfs/dbraw/zinc/26/74/37/585267437.db2.gz QEQWPYAKUUDERK-UHFFFAOYSA-N 1 2 224.304 0.662 20 0 BCADLO C[C@H]1COCC[N@H+](Cn2ccsc2=O)C1 ZINC000753996011 585274436 /nfs/dbraw/zinc/27/44/36/585274436.db2.gz WXYHXKNSGQGLKM-SECBINFHSA-N 1 2 228.317 0.836 20 0 BCADLO C[C@H]1COCC[N@@H+](Cn2ccsc2=O)C1 ZINC000753996011 585274437 /nfs/dbraw/zinc/27/44/37/585274437.db2.gz WXYHXKNSGQGLKM-SECBINFHSA-N 1 2 228.317 0.836 20 0 BCADLO C[C@@H]1COCC[N@H+](Cn2ccsc2=O)C1 ZINC000753996012 585274460 /nfs/dbraw/zinc/27/44/60/585274460.db2.gz WXYHXKNSGQGLKM-VIFPVBQESA-N 1 2 228.317 0.836 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cn2ccsc2=O)C1 ZINC000753996012 585274461 /nfs/dbraw/zinc/27/44/61/585274461.db2.gz WXYHXKNSGQGLKM-VIFPVBQESA-N 1 2 228.317 0.836 20 0 BCADLO CO[C@@H](C)C(N)=NOCc1c[nH+]cn1C ZINC000754296833 585282168 /nfs/dbraw/zinc/28/21/68/585282168.db2.gz VXOARJKHHIKQDL-ZETCQYMHSA-N 1 2 212.253 0.453 20 0 BCADLO CO[C@H](C)C(N)=NOCc1c[nH+]cn1C ZINC000754296830 585282405 /nfs/dbraw/zinc/28/24/05/585282405.db2.gz VXOARJKHHIKQDL-SSDOTTSWSA-N 1 2 212.253 0.453 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381832 585283697 /nfs/dbraw/zinc/28/36/97/585283697.db2.gz VIRKBPRVUPDZOA-VIFPVBQESA-N 1 2 237.303 0.959 20 0 BCADLO Cc1cc(=O)[nH]c(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381832 585283698 /nfs/dbraw/zinc/28/36/98/585283698.db2.gz VIRKBPRVUPDZOA-VIFPVBQESA-N 1 2 237.303 0.959 20 0 BCADLO O=C1CN(c2cc[nH+]c3ccncc32)CCCN1 ZINC000754470222 585284972 /nfs/dbraw/zinc/28/49/72/585284972.db2.gz BVXLVPXWQFGFNT-UHFFFAOYSA-N 1 2 242.282 0.956 20 0 BCADLO CC[C@H]([NH2+][C@@H](CC(=O)OC)C1CC1)C(=O)OC ZINC000754542178 585285702 /nfs/dbraw/zinc/28/57/02/585285702.db2.gz VKOFSXQPMIQPBV-UWVGGRQHSA-N 1 2 243.303 0.869 20 0 BCADLO CCN1CC[N@H+](C[C@H](O)c2ccccc2)CC1=O ZINC000755288699 585297081 /nfs/dbraw/zinc/29/70/81/585297081.db2.gz KLWJBWAQMPZKTH-ZDUSSCGKSA-N 1 2 248.326 0.884 20 0 BCADLO CCN1CC[N@@H+](C[C@H](O)c2ccccc2)CC1=O ZINC000755288699 585297082 /nfs/dbraw/zinc/29/70/82/585297082.db2.gz KLWJBWAQMPZKTH-ZDUSSCGKSA-N 1 2 248.326 0.884 20 0 BCADLO Cc1nonc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000755976395 585311767 /nfs/dbraw/zinc/31/17/67/585311767.db2.gz XOZRYVJZONFWAM-UHFFFAOYSA-N 1 2 238.291 0.656 20 0 BCADLO CNC(=O)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000756842499 585324181 /nfs/dbraw/zinc/32/41/81/585324181.db2.gz IQDAQNXJERAEBM-QMMMGPOBSA-N 1 2 246.270 0.199 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000839675682 585336561 /nfs/dbraw/zinc/33/65/61/585336561.db2.gz QYWOZIUSFFHQAQ-AHQHDXANSA-N 1 2 205.685 0.821 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000839675682 585336560 /nfs/dbraw/zinc/33/65/60/585336560.db2.gz QYWOZIUSFFHQAQ-AHQHDXANSA-N 1 2 205.685 0.821 20 0 BCADLO C[C@@H](O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000757906385 585346833 /nfs/dbraw/zinc/34/68/33/585346833.db2.gz XNTPFXIJBHEUTO-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccon1 ZINC000758146056 585350895 /nfs/dbraw/zinc/35/08/95/585350895.db2.gz HERIRGCGHNXNFC-GFCCVEGCSA-N 1 2 245.282 0.861 20 0 BCADLO CC[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758324817 585353681 /nfs/dbraw/zinc/35/36/81/585353681.db2.gz ZUDSDKKRRMCJKZ-SECBINFHSA-N 1 2 210.281 0.414 20 0 BCADLO CC[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758324817 585353682 /nfs/dbraw/zinc/35/36/82/585353682.db2.gz ZUDSDKKRRMCJKZ-SECBINFHSA-N 1 2 210.281 0.414 20 0 BCADLO CC[C@@H](C)C[N@H+](C)Cn1ncn(C)c1=O ZINC000758324319 585353726 /nfs/dbraw/zinc/35/37/26/585353726.db2.gz PCWUDNFXPBCRPN-SECBINFHSA-N 1 2 212.297 0.517 20 0 BCADLO CC[C@@H](C)C[N@@H+](C)Cn1ncn(C)c1=O ZINC000758324319 585353727 /nfs/dbraw/zinc/35/37/27/585353727.db2.gz PCWUDNFXPBCRPN-SECBINFHSA-N 1 2 212.297 0.517 20 0 BCADLO C[N@H+](Cn1nc2cnccn2c1=O)CC(C)(C)C ZINC000758326180 585353909 /nfs/dbraw/zinc/35/39/09/585353909.db2.gz LIJCCUZXXQLLII-UHFFFAOYSA-N 1 2 249.318 0.826 20 0 BCADLO C[N@@H+](Cn1nc2cnccn2c1=O)CC(C)(C)C ZINC000758326180 585353910 /nfs/dbraw/zinc/35/39/10/585353910.db2.gz LIJCCUZXXQLLII-UHFFFAOYSA-N 1 2 249.318 0.826 20 0 BCADLO C[C@H]1C[N@H+](Cn2nc3cnccn3c2=O)C[C@H]1C ZINC000758341743 585354341 /nfs/dbraw/zinc/35/43/41/585354341.db2.gz SYSUTMMNJFFONX-AOOOYVTPSA-N 1 2 247.302 0.436 20 0 BCADLO C[C@H]1C[N@@H+](Cn2nc3cnccn3c2=O)C[C@H]1C ZINC000758341743 585354342 /nfs/dbraw/zinc/35/43/42/585354342.db2.gz SYSUTMMNJFFONX-AOOOYVTPSA-N 1 2 247.302 0.436 20 0 BCADLO C[C@@H]([N@H+](C)Cn1ncn(C)c1=O)C1(C)CC1 ZINC000758350955 585354422 /nfs/dbraw/zinc/35/44/22/585354422.db2.gz HJQVYWJWEFAXJY-SECBINFHSA-N 1 2 224.308 0.660 20 0 BCADLO C[C@@H]([N@@H+](C)Cn1ncn(C)c1=O)C1(C)CC1 ZINC000758350955 585354423 /nfs/dbraw/zinc/35/44/23/585354423.db2.gz HJQVYWJWEFAXJY-SECBINFHSA-N 1 2 224.308 0.660 20 0 BCADLO C[C@@H]1C[NH+](Cn2nc3cnccn3c2=O)C[C@H]1C ZINC000758341749 585354445 /nfs/dbraw/zinc/35/44/45/585354445.db2.gz SYSUTMMNJFFONX-NXEZZACHSA-N 1 2 247.302 0.436 20 0 BCADLO CC(F)(F)CC(=O)OCC[NH+]1CCOCC1 ZINC000758729278 585359167 /nfs/dbraw/zinc/35/91/67/585359167.db2.gz DVMVMRUPVBHVNI-UHFFFAOYSA-N 1 2 237.246 0.907 20 0 BCADLO COC(=O)C[N@H+](CCF)C1CCOCC1 ZINC000759345349 585367153 /nfs/dbraw/zinc/36/71/53/585367153.db2.gz DTTNPKFMJVYFTR-UHFFFAOYSA-N 1 2 219.256 0.610 20 0 BCADLO COC(=O)C[N@@H+](CCF)C1CCOCC1 ZINC000759345349 585367154 /nfs/dbraw/zinc/36/71/54/585367154.db2.gz DTTNPKFMJVYFTR-UHFFFAOYSA-N 1 2 219.256 0.610 20 0 BCADLO O=C([C@H]1CCCC[N@H+]1CCF)N1CCOCC1 ZINC000759340538 585368864 /nfs/dbraw/zinc/36/88/64/585368864.db2.gz VHPATFALWASCSC-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C([C@H]1CCCC[N@@H+]1CCF)N1CCOCC1 ZINC000759340538 585368865 /nfs/dbraw/zinc/36/88/65/585368865.db2.gz VHPATFALWASCSC-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO CCn1ccnc1CN1CC[NH+](CCF)CC1 ZINC000759349350 585370512 /nfs/dbraw/zinc/37/05/12/585370512.db2.gz ZBJQWKOOWSYVFH-UHFFFAOYSA-N 1 2 240.326 0.990 20 0 BCADLO FCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000759371409 585371696 /nfs/dbraw/zinc/37/16/96/585371696.db2.gz BJWFPWKTUIKZJK-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO FCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000759371409 585371697 /nfs/dbraw/zinc/37/16/97/585371697.db2.gz BJWFPWKTUIKZJK-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO O=C1C[N@@H+](CCF)[C@H]2CCCC[C@@H]2N1 ZINC000759370766 585371705 /nfs/dbraw/zinc/37/17/05/585371705.db2.gz HGGFEJYUUANJGJ-IUCAKERBSA-N 1 2 200.257 0.699 20 0 BCADLO O=C1C[N@H+](CCF)[C@H]2CCCC[C@@H]2N1 ZINC000759370766 585371706 /nfs/dbraw/zinc/37/17/06/585371706.db2.gz HGGFEJYUUANJGJ-IUCAKERBSA-N 1 2 200.257 0.699 20 0 BCADLO COCc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=O)o1 ZINC000759725967 585379582 /nfs/dbraw/zinc/37/95/82/585379582.db2.gz JVRXTPDPTAFJPT-SECBINFHSA-N 1 2 243.307 0.917 20 0 BCADLO COCc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=O)o1 ZINC000759725967 585379583 /nfs/dbraw/zinc/37/95/83/585379583.db2.gz JVRXTPDPTAFJPT-SECBINFHSA-N 1 2 243.307 0.917 20 0 BCADLO COC(=O)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000759812690 585380785 /nfs/dbraw/zinc/38/07/85/585380785.db2.gz YDGQUQYPNOWUEL-QMMMGPOBSA-N 1 2 247.316 0.140 20 0 BCADLO C[C@H]1CC[N@H+](CC2OCCO2)CC[S@@]1=O ZINC000759874777 585381853 /nfs/dbraw/zinc/38/18/53/585381853.db2.gz LEVGAQLRMMPBHT-VFZGTOFNSA-N 1 2 233.333 0.202 20 0 BCADLO C[C@H]1CC[N@@H+](CC2OCCO2)CC[S@@]1=O ZINC000759874777 585381854 /nfs/dbraw/zinc/38/18/54/585381854.db2.gz LEVGAQLRMMPBHT-VFZGTOFNSA-N 1 2 233.333 0.202 20 0 BCADLO CC/C=C(\C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000760907156 585401749 /nfs/dbraw/zinc/40/17/49/585401749.db2.gz HZKMYMYVSXTRDE-SRXIBPRUSA-N 1 2 238.331 0.884 20 0 BCADLO CC/C=C(\C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000760907156 585401750 /nfs/dbraw/zinc/40/17/50/585401750.db2.gz HZKMYMYVSXTRDE-SRXIBPRUSA-N 1 2 238.331 0.884 20 0 BCADLO CC[C@@](C)([NH2+]CCc1cn(C)nn1)C(=O)OC ZINC000859222577 589021670 /nfs/dbraw/zinc/02/16/70/589021670.db2.gz YHSGCICFBINZMJ-LLVKDONJSA-N 1 2 240.307 0.289 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761067459 585404933 /nfs/dbraw/zinc/40/49/33/585404933.db2.gz DYDJPQCQWTVQLX-MNOVXSKESA-N 1 2 241.379 0.926 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761067459 585404934 /nfs/dbraw/zinc/40/49/34/585404934.db2.gz DYDJPQCQWTVQLX-MNOVXSKESA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761074255 585405588 /nfs/dbraw/zinc/40/55/88/585405588.db2.gz BJDZZYHBGPCRIG-SRVKXCTJSA-N 1 2 241.379 0.926 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761074255 585405589 /nfs/dbraw/zinc/40/55/89/585405589.db2.gz BJDZZYHBGPCRIG-SRVKXCTJSA-N 1 2 241.379 0.926 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761080980 585406864 /nfs/dbraw/zinc/40/68/64/585406864.db2.gz KWHMQIVLQYIFHX-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761080980 585406865 /nfs/dbraw/zinc/40/68/65/585406865.db2.gz KWHMQIVLQYIFHX-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO COCC1([N@H+](C)Cc2nonc2C)CC1 ZINC000761098642 585409065 /nfs/dbraw/zinc/40/90/65/585409065.db2.gz BRMGDALOBOSJGH-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COCC1([N@@H+](C)Cc2nonc2C)CC1 ZINC000761098642 585409066 /nfs/dbraw/zinc/40/90/66/585409066.db2.gz BRMGDALOBOSJGH-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCC1 ZINC000761689668 585417964 /nfs/dbraw/zinc/41/79/64/585417964.db2.gz VISXYOQSPBXVQN-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCC1 ZINC000761689668 585417965 /nfs/dbraw/zinc/41/79/65/585417965.db2.gz VISXYOQSPBXVQN-UHFFFAOYSA-N 1 2 240.303 0.058 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000762196714 585428983 /nfs/dbraw/zinc/42/89/83/585428983.db2.gz SKDJFZWIBOIPOR-SECBINFHSA-N 1 2 226.276 0.833 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1CC2(CC2)C(=O)O1 ZINC000762211066 585429090 /nfs/dbraw/zinc/42/90/90/585429090.db2.gz SYMOBLMOXUZFBA-JGVFFNPUSA-N 1 2 242.275 0.615 20 0 BCADLO CO[C@@H](C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000762412621 585431815 /nfs/dbraw/zinc/43/18/15/585431815.db2.gz ZJNNQQPRUPAKNN-QMMMGPOBSA-N 1 2 236.275 0.971 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccnc(OC)c1 ZINC000762917849 585439446 /nfs/dbraw/zinc/43/94/46/585439446.db2.gz NUCZNJYUNBSVBX-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccnc(OC)c1 ZINC000762917849 585439447 /nfs/dbraw/zinc/43/94/47/585439447.db2.gz NUCZNJYUNBSVBX-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO Cc1noc(N)c1C(=O)OCCn1cc[nH+]c1 ZINC000763111054 585443182 /nfs/dbraw/zinc/44/31/82/585443182.db2.gz DKCIBSXIPHGXCV-UHFFFAOYSA-N 1 2 236.231 0.619 20 0 BCADLO NC(Cc1ccccc1)=[NH+]OCCOCCO ZINC000763426886 585448417 /nfs/dbraw/zinc/44/84/17/585448417.db2.gz OZBGUGCKKZGMRL-UHFFFAOYSA-N 1 2 238.287 0.736 20 0 BCADLO CCCCOC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000763892439 585456315 /nfs/dbraw/zinc/45/63/15/585456315.db2.gz FQEDVBZBFRJOEW-LBPRGKRZSA-N 1 2 245.319 0.413 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763892439 585456316 /nfs/dbraw/zinc/45/63/16/585456316.db2.gz FQEDVBZBFRJOEW-LBPRGKRZSA-N 1 2 245.319 0.413 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1COC(=O)O1 ZINC000763983062 585458234 /nfs/dbraw/zinc/45/82/34/585458234.db2.gz SSNYLQPROBQCID-RKDXNWHRSA-N 1 2 243.259 0.549 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1COC(=O)O1 ZINC000763983062 585458235 /nfs/dbraw/zinc/45/82/35/585458235.db2.gz SSNYLQPROBQCID-RKDXNWHRSA-N 1 2 243.259 0.549 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NC(C)(C)C ZINC000764202610 585461588 /nfs/dbraw/zinc/46/15/88/585461588.db2.gz HRJVTNMQLJZKGN-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NC(C)(C)C ZINC000764202610 585461589 /nfs/dbraw/zinc/46/15/89/585461589.db2.gz HRJVTNMQLJZKGN-VIFPVBQESA-N 1 2 243.351 0.358 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@]12CCOC2 ZINC000764648599 585469899 /nfs/dbraw/zinc/46/98/99/585469899.db2.gz ZZSPUTPZTZIXQN-PWSUYJOCSA-N 1 2 236.271 0.853 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)C(C)(C)C ZINC000764836890 585475500 /nfs/dbraw/zinc/47/55/00/585475500.db2.gz HKIUXPMLJDRHCL-NXEZZACHSA-N 1 2 239.319 0.795 20 0 BCADLO CC(C)=CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765124798 585481663 /nfs/dbraw/zinc/48/16/63/585481663.db2.gz WNTIBWKGTAINAN-UHFFFAOYSA-N 1 2 238.331 0.934 20 0 BCADLO COc1c(C)c[nH+]c(CNC(=O)CO)c1C ZINC000765479133 585487536 /nfs/dbraw/zinc/48/75/36/585487536.db2.gz DFNLYLAZIQTRJT-UHFFFAOYSA-N 1 2 224.260 0.316 20 0 BCADLO Cc1cc(NC(=O)C[C@H]2COC(=O)C2)cc[nH+]1 ZINC000765518548 585489027 /nfs/dbraw/zinc/48/90/27/585489027.db2.gz XDPDFQOSYKFUOQ-SECBINFHSA-N 1 2 234.255 0.704 20 0 BCADLO O=C(C[C@@H]1COC(=O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000765550246 585489811 /nfs/dbraw/zinc/48/98/11/585489811.db2.gz XVGGDGRKDVCPGS-VIFPVBQESA-N 1 2 249.270 0.220 20 0 BCADLO CCCn1cc(C(=O)OCc2c[nH+]cn2C)nn1 ZINC000766646334 585504614 /nfs/dbraw/zinc/50/46/14/585504614.db2.gz AGFNKEOMUNZWFL-UHFFFAOYSA-N 1 2 249.274 0.779 20 0 BCADLO C[C@H](CO)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000766730633 585506787 /nfs/dbraw/zinc/50/67/87/585506787.db2.gz NKCMHQVXHXDUDN-NXEZZACHSA-N 1 2 247.360 0.595 20 0 BCADLO COC(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767348951 585516930 /nfs/dbraw/zinc/51/69/30/585516930.db2.gz LNJRJXGOAYZCSP-UHFFFAOYSA-N 1 2 240.303 0.740 20 0 BCADLO COC(=O)[C@H]1C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000767371536 585518181 /nfs/dbraw/zinc/51/81/81/585518181.db2.gz QDDXKSMUTMIDIS-LLVKDONJSA-N 1 2 241.287 0.229 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000767371536 585518182 /nfs/dbraw/zinc/51/81/82/585518182.db2.gz QDDXKSMUTMIDIS-LLVKDONJSA-N 1 2 241.287 0.229 20 0 BCADLO CC[N@H+](CCC(=O)C1CC1)CC(=O)OC ZINC000767371003 585518308 /nfs/dbraw/zinc/51/83/08/585518308.db2.gz IJFBACCROHVYIX-UHFFFAOYSA-N 1 2 213.277 0.851 20 0 BCADLO CC[N@@H+](CCC(=O)C1CC1)CC(=O)OC ZINC000767371003 585518309 /nfs/dbraw/zinc/51/83/09/585518309.db2.gz IJFBACCROHVYIX-UHFFFAOYSA-N 1 2 213.277 0.851 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)CCOC)C1=O ZINC000767965397 585529024 /nfs/dbraw/zinc/52/90/24/585529024.db2.gz NHTBCUYRBICZOJ-GFCCVEGCSA-N 1 2 242.319 0.697 20 0 BCADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)CCOC)C1=O ZINC000767965397 585529025 /nfs/dbraw/zinc/52/90/25/585529025.db2.gz NHTBCUYRBICZOJ-GFCCVEGCSA-N 1 2 242.319 0.697 20 0 BCADLO CCn1cc(C[N@H+](CC)CC(=O)NC)cn1 ZINC000768300611 585535571 /nfs/dbraw/zinc/53/55/71/585535571.db2.gz ARLGXHXZCIKQFQ-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCn1cc(C[N@@H+](CC)CC(=O)NC)cn1 ZINC000768300611 585535572 /nfs/dbraw/zinc/53/55/72/585535572.db2.gz ARLGXHXZCIKQFQ-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000768765938 585542776 /nfs/dbraw/zinc/54/27/76/585542776.db2.gz WSMRWICYLNVQIM-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000768765938 585542777 /nfs/dbraw/zinc/54/27/77/585542777.db2.gz WSMRWICYLNVQIM-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000768765938 585542778 /nfs/dbraw/zinc/54/27/78/585542778.db2.gz WSMRWICYLNVQIM-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CCS(=O)(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768765938 585542779 /nfs/dbraw/zinc/54/27/79/585542779.db2.gz WSMRWICYLNVQIM-GHMZBOCLSA-N 1 2 248.392 0.446 20 0 BCADLO CN1CC[C@@H](O[NH+]=C(N)COC(C)(C)C)C1=O ZINC000768929103 585546127 /nfs/dbraw/zinc/54/61/27/585546127.db2.gz BYRCTFARLNUZDM-MRVPVSSYSA-N 1 2 243.307 0.531 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OCC1(CO)COC1 ZINC000768935539 585546320 /nfs/dbraw/zinc/54/63/20/585546320.db2.gz UKIRKPSPCANQFV-UHFFFAOYSA-N 1 2 246.307 0.309 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147126 585550013 /nfs/dbraw/zinc/55/00/13/585550013.db2.gz UXYUFXRFGNOCRI-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C=O)[nH]1 ZINC000769147126 585550014 /nfs/dbraw/zinc/55/00/14/585550014.db2.gz UXYUFXRFGNOCRI-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO O=C(C1CCC1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769196342 585551015 /nfs/dbraw/zinc/55/10/15/585551015.db2.gz VBNCEICIROEUPR-UHFFFAOYSA-N 1 2 248.330 0.854 20 0 BCADLO Cc1ccccc1CC(N)=[NH+]O[C@@H]1CCNC1=O ZINC000769878790 585566024 /nfs/dbraw/zinc/56/60/24/585566024.db2.gz QETJLQVMFCSQHY-LLVKDONJSA-N 1 2 247.298 0.924 20 0 BCADLO COC(=O)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770402739 585573607 /nfs/dbraw/zinc/57/36/07/585573607.db2.gz VMJVDPIBXKVJDC-QMMMGPOBSA-N 1 2 247.254 0.626 20 0 BCADLO C[S@@](=O)CC[NH+]1CCN(C2CCC2)CC1 ZINC000770510115 585575359 /nfs/dbraw/zinc/57/53/59/585575359.db2.gz JQKYWGVGOVVCGK-OAHLLOKOSA-N 1 2 230.377 0.535 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1(CCO)CC1 ZINC000770535861 585575786 /nfs/dbraw/zinc/57/57/86/585575786.db2.gz PPHDDOYTCXYKPZ-UHFFFAOYSA-N 1 2 224.260 0.589 20 0 BCADLO CC(C)[C@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000770556241 585576383 /nfs/dbraw/zinc/57/63/83/585576383.db2.gz KIMJOPQGVIKOCV-NSHDSACASA-N 1 2 226.276 0.833 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000770556557 585576533 /nfs/dbraw/zinc/57/65/33/585576533.db2.gz KYHWOYNJSFDJAO-GFCCVEGCSA-N 1 2 245.319 0.269 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000771013007 585587199 /nfs/dbraw/zinc/58/71/99/585587199.db2.gz ONNCQQGWGVPJQU-WDEREUQCSA-N 1 2 249.314 0.333 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)C2CC2)c[nH+]1 ZINC000771039413 585588283 /nfs/dbraw/zinc/58/82/83/585588283.db2.gz BHTUJDYNJWZBMM-SECBINFHSA-N 1 2 209.249 0.219 20 0 BCADLO C[C@H](NC(=O)C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000771093859 585590081 /nfs/dbraw/zinc/59/00/81/585590081.db2.gz RNWYXJCAHZXGPH-BQBZGAKWSA-N 1 2 240.225 0.384 20 0 BCADLO C[C@H](NC(=O)C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000771093859 585590082 /nfs/dbraw/zinc/59/00/82/585590082.db2.gz RNWYXJCAHZXGPH-BQBZGAKWSA-N 1 2 240.225 0.384 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000771093794 585590109 /nfs/dbraw/zinc/59/01/09/585590109.db2.gz ZWDPAFOPYCUQRM-MNOVXSKESA-N 1 2 243.303 0.287 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1n[nH]c2c1CCC2 ZINC000771923532 585604667 /nfs/dbraw/zinc/60/46/67/585604667.db2.gz WVZHUURCGUEAFZ-UHFFFAOYSA-N 1 2 246.270 0.952 20 0 BCADLO CCOCCOCC(=O)OCCn1cc[nH+]c1 ZINC000771938342 585605088 /nfs/dbraw/zinc/60/50/88/585605088.db2.gz FUTBIKOHFOZIDW-UHFFFAOYSA-N 1 2 242.275 0.479 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000771950213 585605412 /nfs/dbraw/zinc/60/54/12/585605412.db2.gz JDXPFXGUJLKYRD-SNVBAGLBSA-N 1 2 224.260 0.853 20 0 BCADLO CCn1cc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771966375 585605698 /nfs/dbraw/zinc/60/56/98/585605698.db2.gz YAWPZCBBAKTZQV-UHFFFAOYSA-N 1 2 234.259 0.957 20 0 BCADLO COC(=O)C[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000772004328 585606557 /nfs/dbraw/zinc/60/65/57/585606557.db2.gz PPKIHUBQWJLBCV-VIFPVBQESA-N 1 2 240.259 0.626 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC(=O)O1 ZINC000772003716 585606715 /nfs/dbraw/zinc/60/67/15/585606715.db2.gz UNSPRBBMFLXBEK-MRVPVSSYSA-N 1 2 224.216 0.132 20 0 BCADLO Cc1ncc(C(=O)OCCn2cc[nH+]c2)c(N)n1 ZINC000772000905 585606770 /nfs/dbraw/zinc/60/67/70/585606770.db2.gz DHPNWQMYGUQQOR-UHFFFAOYSA-N 1 2 247.258 0.421 20 0 BCADLO CCOCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805471416 585623848 /nfs/dbraw/zinc/62/38/48/585623848.db2.gz JCBHWJYLZSXSPL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805471416 585623849 /nfs/dbraw/zinc/62/38/49/585623849.db2.gz JCBHWJYLZSXSPL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805471415 585623852 /nfs/dbraw/zinc/62/38/52/585623852.db2.gz JCBHWJYLZSXSPL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805471415 585623853 /nfs/dbraw/zinc/62/38/53/585623853.db2.gz JCBHWJYLZSXSPL-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCF)C1 ZINC000805475481 585628286 /nfs/dbraw/zinc/62/82/86/585628286.db2.gz RFSWGZAUYXTYSL-QMMMGPOBSA-N 1 2 205.229 0.220 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCF)C1 ZINC000805475481 585628287 /nfs/dbraw/zinc/62/82/87/585628287.db2.gz RFSWGZAUYXTYSL-QMMMGPOBSA-N 1 2 205.229 0.220 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000773161003 585632715 /nfs/dbraw/zinc/63/27/15/585632715.db2.gz JSEOTJBNNHTNNA-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CC(=O)CCCC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000773161003 585632716 /nfs/dbraw/zinc/63/27/16/585632716.db2.gz JSEOTJBNNHTNNA-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CC[C@@H](CSC)[N@H+](C)Cn1ncn(C)c1=O ZINC000773259635 585634491 /nfs/dbraw/zinc/63/44/91/585634491.db2.gz WYULOYYNHCOBMW-VIFPVBQESA-N 1 2 244.364 0.613 20 0 BCADLO CC[C@@H](CSC)[N@@H+](C)Cn1ncn(C)c1=O ZINC000773259635 585634492 /nfs/dbraw/zinc/63/44/92/585634492.db2.gz WYULOYYNHCOBMW-VIFPVBQESA-N 1 2 244.364 0.613 20 0 BCADLO Cn1nccc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000773520470 585639215 /nfs/dbraw/zinc/63/92/15/585639215.db2.gz DCGLUAOQANGQQL-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO Cn1nccc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000773520470 585639216 /nfs/dbraw/zinc/63/92/16/585639216.db2.gz DCGLUAOQANGQQL-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H](C(=O)N(C)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000773753719 585643165 /nfs/dbraw/zinc/64/31/65/585643165.db2.gz WXSSYQHLWDXYDG-MNOVXSKESA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H](C(=O)N(C)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000773753719 585643166 /nfs/dbraw/zinc/64/31/66/585643166.db2.gz WXSSYQHLWDXYDG-MNOVXSKESA-N 1 2 244.335 0.896 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH]nc2Cl)C1 ZINC000774227214 585654522 /nfs/dbraw/zinc/65/45/22/585654522.db2.gz ZJHOUXPTNKCVOR-SSDOTTSWSA-N 1 2 244.682 0.332 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2c[nH]nc2Cl)C1 ZINC000774227214 585654523 /nfs/dbraw/zinc/65/45/23/585654523.db2.gz ZJHOUXPTNKCVOR-SSDOTTSWSA-N 1 2 244.682 0.332 20 0 BCADLO O=C(CO)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000774364860 585657071 /nfs/dbraw/zinc/65/70/71/585657071.db2.gz ZYBMIJYKSKIBNM-UHFFFAOYSA-N 1 2 218.216 0.198 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000774684347 585663133 /nfs/dbraw/zinc/66/31/33/585663133.db2.gz WUCHNTNSWYUJIC-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000774684347 585663134 /nfs/dbraw/zinc/66/31/34/585663134.db2.gz WUCHNTNSWYUJIC-UHFFFAOYSA-N 1 2 237.303 0.842 20 0 BCADLO Cc1nonc1C[N@H+]1CCOCC[C@@H]1C ZINC000775567412 585678861 /nfs/dbraw/zinc/67/88/61/585678861.db2.gz XWPHMYDUZJSPBJ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@@H+]1CCOCC[C@@H]1C ZINC000775567412 585678862 /nfs/dbraw/zinc/67/88/62/585678862.db2.gz XWPHMYDUZJSPBJ-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1n[nH]nc1C ZINC000805547208 585680945 /nfs/dbraw/zinc/68/09/45/585680945.db2.gz VZYSRBWPFKMJIL-UHFFFAOYSA-N 1 2 248.242 0.874 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1coc(C2CC2)n1 ZINC000776006839 585689343 /nfs/dbraw/zinc/68/93/43/585689343.db2.gz BLCFYTHIAVQDFW-QWRGUYRKSA-N 1 2 238.287 0.480 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1coc(C2CC2)n1 ZINC000776006839 585689344 /nfs/dbraw/zinc/68/93/44/585689344.db2.gz BLCFYTHIAVQDFW-QWRGUYRKSA-N 1 2 238.287 0.480 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)NOCC)CC1 ZINC000776210161 585693321 /nfs/dbraw/zinc/69/33/21/585693321.db2.gz KZIWVSNZRRRNLG-UHFFFAOYSA-N 1 2 245.323 0.302 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000776593080 585702451 /nfs/dbraw/zinc/70/24/51/585702451.db2.gz VUGGOBAQXUVHGI-LLVKDONJSA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000776593080 585702452 /nfs/dbraw/zinc/70/24/52/585702452.db2.gz VUGGOBAQXUVHGI-LLVKDONJSA-N 1 2 229.320 0.888 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NOCc1cccnc1 ZINC000776676314 585703052 /nfs/dbraw/zinc/70/30/52/585703052.db2.gz JVSRQNADWBNXSR-UHFFFAOYSA-N 1 2 246.270 0.606 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000776704211 585703409 /nfs/dbraw/zinc/70/34/09/585703409.db2.gz ZTZHEURARKLXDQ-GDNZZTSVSA-N 1 2 239.315 0.908 20 0 BCADLO CCn1cc(C[N@H+](C)Cn2cnnc2)cn1 ZINC000776759983 585704814 /nfs/dbraw/zinc/70/48/14/585704814.db2.gz YZTABRNMPKAFFQ-UHFFFAOYSA-N 1 2 220.280 0.584 20 0 BCADLO CCn1cc(C[N@@H+](C)Cn2cnnc2)cn1 ZINC000776759983 585704815 /nfs/dbraw/zinc/70/48/15/585704815.db2.gz YZTABRNMPKAFFQ-UHFFFAOYSA-N 1 2 220.280 0.584 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000776764876 585705145 /nfs/dbraw/zinc/70/51/45/585705145.db2.gz SDCIRZRAOQBPMT-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000776764876 585705146 /nfs/dbraw/zinc/70/51/46/585705146.db2.gz SDCIRZRAOQBPMT-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO Cn1[nH]cnc1=NC(=O)c1cccc2[nH+]ccn21 ZINC000777027096 585707317 /nfs/dbraw/zinc/70/73/17/585707317.db2.gz HQZWPXGBKYHCBX-UHFFFAOYSA-N 1 2 242.242 0.137 20 0 BCADLO FC(F)CN1CC[NH+](CC2OCCO2)CC1 ZINC000777565174 585715374 /nfs/dbraw/zinc/71/53/74/585715374.db2.gz AHYUIMVTQOFWQV-UHFFFAOYSA-N 1 2 236.262 0.242 20 0 BCADLO CN1CC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000777614882 585717230 /nfs/dbraw/zinc/71/72/30/585717230.db2.gz MEYQFUXQTVXSBL-UHFFFAOYSA-N 1 2 236.275 0.557 20 0 BCADLO CC(=O)N1CC[N@H+](CC2OCCO2)C(C)(C)C1 ZINC000777725337 585719193 /nfs/dbraw/zinc/71/91/93/585719193.db2.gz HXLJPWMWQDATOL-UHFFFAOYSA-N 1 2 242.319 0.302 20 0 BCADLO CC(=O)N1CC[N@@H+](CC2OCCO2)C(C)(C)C1 ZINC000777725337 585719194 /nfs/dbraw/zinc/71/91/94/585719194.db2.gz HXLJPWMWQDATOL-UHFFFAOYSA-N 1 2 242.319 0.302 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCC=CO1 ZINC000777839026 585721100 /nfs/dbraw/zinc/72/11/00/585721100.db2.gz TZSMGYDSPOJQIT-LLVKDONJSA-N 1 2 240.303 0.128 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(C)=O ZINC000778417429 585734628 /nfs/dbraw/zinc/73/46/28/585734628.db2.gz PAWMWUZGGDWFKS-NSHDSACASA-N 1 2 226.320 0.908 20 0 BCADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(C)=O ZINC000778417429 585734629 /nfs/dbraw/zinc/73/46/29/585734629.db2.gz PAWMWUZGGDWFKS-NSHDSACASA-N 1 2 226.320 0.908 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1ccnnc1 ZINC000778831048 585741110 /nfs/dbraw/zinc/74/11/10/585741110.db2.gz BNGICXIZIHQBQC-UHFFFAOYSA-N 1 2 218.216 0.530 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000778932675 585742466 /nfs/dbraw/zinc/74/24/66/585742466.db2.gz IPLDFKQCBFKGEV-JTQLQIEISA-N 1 2 249.314 0.872 20 0 BCADLO Cc1cnc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000778932675 585742467 /nfs/dbraw/zinc/74/24/67/585742467.db2.gz IPLDFKQCBFKGEV-JTQLQIEISA-N 1 2 249.314 0.872 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000779169226 585746637 /nfs/dbraw/zinc/74/66/37/585746637.db2.gz XOFDASKSSAECKU-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000779169226 585746638 /nfs/dbraw/zinc/74/66/38/585746638.db2.gz XOFDASKSSAECKU-SECBINFHSA-N 1 2 238.266 0.463 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cn[nH]c1 ZINC000779198730 585747005 /nfs/dbraw/zinc/74/70/05/585747005.db2.gz LNMLTDKGILFFPD-NSHDSACASA-N 1 2 221.260 0.691 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cn[nH]c1 ZINC000779198730 585747006 /nfs/dbraw/zinc/74/70/06/585747006.db2.gz LNMLTDKGILFFPD-NSHDSACASA-N 1 2 221.260 0.691 20 0 BCADLO CC[C@@H](CO)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000779766767 585761638 /nfs/dbraw/zinc/76/16/38/585761638.db2.gz AWCCFNIVGPAGLO-QMMMGPOBSA-N 1 2 211.265 0.387 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1[nH+]ccn1C ZINC000779765775 585761732 /nfs/dbraw/zinc/76/17/32/585761732.db2.gz SPXBKOHLQQAJSI-QMMMGPOBSA-N 1 2 211.265 0.055 20 0 BCADLO CC(C)c1nnc(CO[NH+]=C(N)CCO)o1 ZINC000780124975 585772840 /nfs/dbraw/zinc/77/28/40/585772840.db2.gz HOFCIBDPIVKWBZ-UHFFFAOYSA-N 1 2 228.252 0.574 20 0 BCADLO CCn1cc(CC(=O)OCc2c[nH+]cn2C)cn1 ZINC000781494686 585797796 /nfs/dbraw/zinc/79/77/96/585797796.db2.gz AKHSKOAEXZLSOL-UHFFFAOYSA-N 1 2 248.286 0.922 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCO1 ZINC000782238365 585812846 /nfs/dbraw/zinc/81/28/46/585812846.db2.gz ICDPJQMGHXNQLR-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000782371324 585816187 /nfs/dbraw/zinc/81/61/87/585816187.db2.gz FTJNUBJYXUVORL-SNVBAGLBSA-N 1 2 224.260 0.995 20 0 BCADLO Cc1cc(N2CC(=O)N(C)C[C@H]2C)nc[nH+]1 ZINC000782394320 585817292 /nfs/dbraw/zinc/81/72/92/585817292.db2.gz YQFSREOWOCNXGA-SECBINFHSA-N 1 2 220.276 0.452 20 0 BCADLO CO[C@H](C)C[N@H+](C)CCS(=O)(=O)C(C)C ZINC000782487667 585819042 /nfs/dbraw/zinc/81/90/42/585819042.db2.gz WUSWHPPIEHINDC-SNVBAGLBSA-N 1 2 237.365 0.776 20 0 BCADLO CO[C@H](C)C[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000782487667 585819043 /nfs/dbraw/zinc/81/90/43/585819043.db2.gz WUSWHPPIEHINDC-SNVBAGLBSA-N 1 2 237.365 0.776 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1nonc1C)CC2 ZINC000782515568 585819450 /nfs/dbraw/zinc/81/94/50/585819450.db2.gz IGHMYLOBZFFDRF-UHFFFAOYSA-N 1 2 233.275 0.899 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccccn1 ZINC000782586319 585821015 /nfs/dbraw/zinc/82/10/15/585821015.db2.gz SROOMUBCKRBBPJ-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccccn1 ZINC000782586319 585821016 /nfs/dbraw/zinc/82/10/16/585821016.db2.gz SROOMUBCKRBBPJ-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCn1cccn1 ZINC000782586548 585821060 /nfs/dbraw/zinc/82/10/60/585821060.db2.gz OGHZIRSHWVOGKE-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCn1cccn1 ZINC000782586548 585821061 /nfs/dbraw/zinc/82/10/61/585821061.db2.gz OGHZIRSHWVOGKE-SNVBAGLBSA-N 1 2 222.292 0.046 20 0 BCADLO CCCCOCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782586700 585821157 /nfs/dbraw/zinc/82/11/57/585821157.db2.gz UUCKDPXYJXEBRX-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782586700 585821158 /nfs/dbraw/zinc/82/11/58/585821158.db2.gz UUCKDPXYJXEBRX-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1cscn1)C2 ZINC000782610631 585821880 /nfs/dbraw/zinc/82/18/80/585821880.db2.gz YNORHGMTTMUAHI-WCBMZHEXSA-N 1 2 210.302 0.957 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC000782610631 585821881 /nfs/dbraw/zinc/82/18/81/585821881.db2.gz YNORHGMTTMUAHI-WCBMZHEXSA-N 1 2 210.302 0.957 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631949 585823335 /nfs/dbraw/zinc/82/33/35/585823335.db2.gz INBGCQGQCAUACT-GXFFZTMASA-N 1 2 234.299 0.522 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631949 585823336 /nfs/dbraw/zinc/82/33/36/585823336.db2.gz INBGCQGQCAUACT-GXFFZTMASA-N 1 2 234.299 0.522 20 0 BCADLO C[C@@H]1C[N@H+](Cn2cnnc2)[C@@H](C)[C@@H](C)O1 ZINC000783540612 585836255 /nfs/dbraw/zinc/83/62/55/585836255.db2.gz FGVJZEWQTQZEQR-KXUCPTDWSA-N 1 2 210.281 0.733 20 0 BCADLO C[C@@H]1C[N@@H+](Cn2cnnc2)[C@@H](C)[C@@H](C)O1 ZINC000783540612 585836256 /nfs/dbraw/zinc/83/62/56/585836256.db2.gz FGVJZEWQTQZEQR-KXUCPTDWSA-N 1 2 210.281 0.733 20 0 BCADLO CC(C)(C)OC(=O)CC[NH2+]NC1=[NH+]C=C([O-])C1 ZINC000783868950 585845195 /nfs/dbraw/zinc/84/51/95/585845195.db2.gz NZPPZQUCJFFLRJ-UHFFFAOYSA-N 1 2 241.291 0.666 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1CO ZINC000784243051 585853277 /nfs/dbraw/zinc/85/32/77/585853277.db2.gz IVARNTIGNJMJDN-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1CO ZINC000784243051 585853278 /nfs/dbraw/zinc/85/32/78/585853278.db2.gz IVARNTIGNJMJDN-ZJUUUORDSA-N 1 2 247.360 0.738 20 0 BCADLO C[C@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)CO1 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/nfs/dbraw/zinc/03/81/00/586038100.db2.gz HNKZPFQBYNMYTL-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000794461770 586040094 /nfs/dbraw/zinc/04/00/94/586040094.db2.gz HKOJCYTXKLLXMO-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000794461770 586040095 /nfs/dbraw/zinc/04/00/95/586040095.db2.gz HKOJCYTXKLLXMO-QMMMGPOBSA-N 1 2 210.281 0.724 20 0 BCADLO NC(=[NH+]O[C@H]1CCOC1)[C@H]1CCCO1 ZINC000794520636 586041710 /nfs/dbraw/zinc/04/17/10/586041710.db2.gz JNFNARGTGUAQBU-JGVFFNPUSA-N 1 2 200.238 0.453 20 0 BCADLO NC(Cc1cccnc1)=[NH+]O[C@H]1CCOC1 ZINC000794522237 586041869 /nfs/dbraw/zinc/04/18/69/586041869.db2.gz PRWLMOHFGCAVRV-JTQLQIEISA-N 1 2 221.260 0.911 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@]2(CCOC2)O1 ZINC000794707673 586047187 /nfs/dbraw/zinc/04/71/87/586047187.db2.gz WILSNXJXDBVDGX-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@]2(CCOC2)O1 ZINC000794707673 586047188 /nfs/dbraw/zinc/04/71/88/586047188.db2.gz WILSNXJXDBVDGX-QWRGUYRKSA-N 1 2 238.291 0.115 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3cnc(Cl)cn3)C[C@H]12 ZINC000794855201 586051702 /nfs/dbraw/zinc/05/17/02/586051702.db2.gz XPDNINZYWUGMSL-MYJAWHEDSA-N 1 2 239.706 0.800 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cnc(Cl)cn3)C[C@H]12 ZINC000794855201 586051704 /nfs/dbraw/zinc/05/17/04/586051704.db2.gz XPDNINZYWUGMSL-MYJAWHEDSA-N 1 2 239.706 0.800 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970260 586059391 /nfs/dbraw/zinc/05/93/91/586059391.db2.gz XKAANQPBTIKCFJ-AXTSPUMRSA-N 1 2 241.287 0.289 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970260 586059392 /nfs/dbraw/zinc/05/93/92/586059392.db2.gz XKAANQPBTIKCFJ-AXTSPUMRSA-N 1 2 241.287 0.289 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@@H]21 ZINC000794975538 586060234 /nfs/dbraw/zinc/06/02/34/586060234.db2.gz YTODCARRVJFHCH-IAZYJMLFSA-N 1 2 247.298 0.636 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ncc(C)cn3)C[C@@H]21 ZINC000794975538 586060235 /nfs/dbraw/zinc/06/02/35/586060235.db2.gz YTODCARRVJFHCH-IAZYJMLFSA-N 1 2 247.298 0.636 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794974417 586060352 /nfs/dbraw/zinc/06/03/52/586060352.db2.gz SHLLLXMAAZGPTE-IAZYJMLFSA-N 1 2 249.314 0.754 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794974417 586060353 /nfs/dbraw/zinc/06/03/53/586060353.db2.gz SHLLLXMAAZGPTE-IAZYJMLFSA-N 1 2 249.314 0.754 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cscn3)C[C@@H]21 ZINC000794984836 586061749 /nfs/dbraw/zinc/06/17/49/586061749.db2.gz RFCXEHBAJXJTML-MYJAWHEDSA-N 1 2 238.312 0.994 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cscn3)C[C@@H]21 ZINC000794984836 586061750 /nfs/dbraw/zinc/06/17/50/586061750.db2.gz RFCXEHBAJXJTML-MYJAWHEDSA-N 1 2 238.312 0.994 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@@H](C(F)F)C2)nn1 ZINC000859296140 589028817 /nfs/dbraw/zinc/02/88/17/589028817.db2.gz CDTAQMSWUHKEBB-SECBINFHSA-N 1 2 246.261 0.324 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@@H](C(F)F)C2)nn1 ZINC000859296140 589028819 /nfs/dbraw/zinc/02/88/19/589028819.db2.gz CDTAQMSWUHKEBB-SECBINFHSA-N 1 2 246.261 0.324 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000795212033 586072069 /nfs/dbraw/zinc/07/20/69/586072069.db2.gz GRNDNFQNZSUFBN-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)COC ZINC000795521994 586082719 /nfs/dbraw/zinc/08/27/19/586082719.db2.gz PWCYHKPTAHBUKJ-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)COC ZINC000795521994 586082721 /nfs/dbraw/zinc/08/27/21/586082721.db2.gz PWCYHKPTAHBUKJ-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(CC1OCCO1)C2 ZINC000859307543 589029915 /nfs/dbraw/zinc/02/99/15/589029915.db2.gz BEVMQGPLWFQMSK-UHFFFAOYSA-N 1 2 209.249 0.141 20 0 BCADLO CN(CCn1cc[nH+]c1)[C@@H]1CC(C)(C)OC1=O ZINC000795677997 586090734 /nfs/dbraw/zinc/09/07/34/586090734.db2.gz ZFVLIKIWIYBYJJ-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO C[N@H+](CCn1ccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795677997 586090735 /nfs/dbraw/zinc/09/07/35/586090735.db2.gz ZFVLIKIWIYBYJJ-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO C[N@@H+](CCn1ccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795677997 586090736 /nfs/dbraw/zinc/09/07/36/586090736.db2.gz ZFVLIKIWIYBYJJ-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)[C@@H]1CC(C)(C)OC1=O ZINC000795682501 586090978 /nfs/dbraw/zinc/09/09/78/586090978.db2.gz AOFOKIDWGBXGQD-SECBINFHSA-N 1 2 223.276 0.936 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)[C@@H]1CC(C)(C)OC1=O ZINC000795682501 586090979 /nfs/dbraw/zinc/09/09/79/586090979.db2.gz AOFOKIDWGBXGQD-SECBINFHSA-N 1 2 223.276 0.936 20 0 BCADLO COC(C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000795687405 586091022 /nfs/dbraw/zinc/09/10/22/586091022.db2.gz RQYUKSVPXMYNQF-MRVPVSSYSA-N 1 2 231.292 0.631 20 0 BCADLO COC(C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)OC ZINC000795687405 586091023 /nfs/dbraw/zinc/09/10/23/586091023.db2.gz RQYUKSVPXMYNQF-MRVPVSSYSA-N 1 2 231.292 0.631 20 0 BCADLO CN(Cc1c[nH+]cn1C)[C@@H]1CC(C)(C)OC1=O ZINC000795697601 586091154 /nfs/dbraw/zinc/09/11/54/586091154.db2.gz JQDDXXNLNNHCAQ-SNVBAGLBSA-N 1 2 237.303 0.946 20 0 BCADLO CN(Cc1c[nH+]cn1C)[C@H]1CC(C)(C)OC1=O ZINC000795697600 586091280 /nfs/dbraw/zinc/09/12/80/586091280.db2.gz JQDDXXNLNNHCAQ-JTQLQIEISA-N 1 2 237.303 0.946 20 0 BCADLO O=C(CCc1cnccn1)OCCn1cc[nH+]c1 ZINC000795919597 586094466 /nfs/dbraw/zinc/09/44/66/586094466.db2.gz RPKKGZCEAYEYQA-UHFFFAOYSA-N 1 2 246.270 0.849 20 0 BCADLO FCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796080558 586097298 /nfs/dbraw/zinc/09/72/98/586097298.db2.gz ORHMIKYBSRINFB-SNVBAGLBSA-N 1 2 203.257 0.837 20 0 BCADLO FCC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796080558 586097299 /nfs/dbraw/zinc/09/72/99/586097299.db2.gz ORHMIKYBSRINFB-SNVBAGLBSA-N 1 2 203.257 0.837 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nonc2C)C1 ZINC000796227745 586099168 /nfs/dbraw/zinc/09/91/68/586099168.db2.gz QRUJISYPFHMDLM-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nonc2C)C1 ZINC000796227745 586099169 /nfs/dbraw/zinc/09/91/69/586099169.db2.gz QRUJISYPFHMDLM-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO COC(=O)C(C)(C)N(C)Cc1c[nH+]c[nH]1 ZINC000796449939 586103553 /nfs/dbraw/zinc/10/35/53/586103553.db2.gz NNTHCJGAHKRGCC-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO COC(=O)C(C)(C)N(C)Cc1c[nH]c[nH+]1 ZINC000796449939 586103554 /nfs/dbraw/zinc/10/35/54/586103554.db2.gz NNTHCJGAHKRGCC-UHFFFAOYSA-N 1 2 211.265 0.793 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C1(CO)CC1 ZINC000796503744 586105590 /nfs/dbraw/zinc/10/55/90/586105590.db2.gz QURUEVVMYYNQIG-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000796503744 586105591 /nfs/dbraw/zinc/10/55/91/586105591.db2.gz QURUEVVMYYNQIG-UHFFFAOYSA-N 1 2 235.349 0.268 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000796609334 586108268 /nfs/dbraw/zinc/10/82/68/586108268.db2.gz QCCQZDQJKAVTTE-DTWKUNHWSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000796609334 586108269 /nfs/dbraw/zinc/10/82/69/586108269.db2.gz QCCQZDQJKAVTTE-DTWKUNHWSA-N 1 2 241.287 0.575 20 0 BCADLO CO[C@H](C)C[N@H+](C)CC(=O)Nc1nncs1 ZINC000796639152 586108947 /nfs/dbraw/zinc/10/89/47/586108947.db2.gz KQJJNSIEMXVJCC-SSDOTTSWSA-N 1 2 244.320 0.443 20 0 BCADLO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1nncs1 ZINC000796639152 586108948 /nfs/dbraw/zinc/10/89/48/586108948.db2.gz KQJJNSIEMXVJCC-SSDOTTSWSA-N 1 2 244.320 0.443 20 0 BCADLO O=CN1CCC[N@@H+](Cc2ccnc(F)c2)CC1 ZINC000859312558 589030422 /nfs/dbraw/zinc/03/04/22/589030422.db2.gz VLQFGRMPGCLPGF-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O=CN1CCC[N@H+](Cc2ccnc(F)c2)CC1 ZINC000859312558 589030423 /nfs/dbraw/zinc/03/04/23/589030423.db2.gz VLQFGRMPGCLPGF-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000798193114 586138963 /nfs/dbraw/zinc/13/89/63/586138963.db2.gz HXZLMNQDJCLMFR-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000798193114 586138964 /nfs/dbraw/zinc/13/89/64/586138964.db2.gz HXZLMNQDJCLMFR-VYUIOLGVSA-N 1 2 205.323 0.474 20 0 BCADLO C[S@](=O)CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000798196220 586139946 /nfs/dbraw/zinc/13/99/46/586139946.db2.gz ISBHYSLPSUXVGE-LSYCYVAJSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000798196220 586139947 /nfs/dbraw/zinc/13/99/47/586139947.db2.gz ISBHYSLPSUXVGE-LSYCYVAJSA-N 1 2 244.360 0.108 20 0 BCADLO COC(=O)C1([N@H+](C)CC[S@@](C)=O)CCCC1 ZINC000798197566 586140315 /nfs/dbraw/zinc/14/03/15/586140315.db2.gz SHFWZCQQRVNKMJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)C1([N@@H+](C)CC[S@@](C)=O)CCCC1 ZINC000798197566 586140316 /nfs/dbraw/zinc/14/03/16/586140316.db2.gz SHFWZCQQRVNKMJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO Cn1nncc1C(=O)OCCCn1cc[nH+]c1 ZINC000798795060 586149865 /nfs/dbraw/zinc/14/98/65/586149865.db2.gz IVGRZMIUGFHKJC-UHFFFAOYSA-N 1 2 235.247 0.259 20 0 BCADLO CC[N@H+](CC(=O)NC)C[C@](C)(O)C(F)(F)F ZINC000799116663 586158564 /nfs/dbraw/zinc/15/85/64/586158564.db2.gz KFSAEDLLPBXRKT-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO CC[N@@H+](CC(=O)NC)C[C@](C)(O)C(F)(F)F ZINC000799116663 586158565 /nfs/dbraw/zinc/15/85/65/586158565.db2.gz KFSAEDLLPBXRKT-QMMMGPOBSA-N 1 2 242.241 0.368 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000799167387 586163520 /nfs/dbraw/zinc/16/35/20/586163520.db2.gz UJIUDZJNUQCGJN-GZMMTYOYSA-N 1 2 239.706 0.944 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000799167387 586163521 /nfs/dbraw/zinc/16/35/21/586163521.db2.gz UJIUDZJNUQCGJN-GZMMTYOYSA-N 1 2 239.706 0.944 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](CCN2CCCC2)C1 ZINC000800465975 586221626 /nfs/dbraw/zinc/22/16/26/586221626.db2.gz IDLLCKJGAUGXDP-NSHDSACASA-N 1 2 246.376 0.201 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCN2CCCC2)C1 ZINC000800465975 586221628 /nfs/dbraw/zinc/22/16/28/586221628.db2.gz IDLLCKJGAUGXDP-NSHDSACASA-N 1 2 246.376 0.201 20 0 BCADLO CCOC(C[N@H+]1CC(=O)N(C)[C@H](C)C1)OCC ZINC000800481041 586222211 /nfs/dbraw/zinc/22/22/11/586222211.db2.gz WDBNMNSDVPZFJD-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@@H+]1CC(=O)N(C)[C@H](C)C1)OCC ZINC000800481041 586222212 /nfs/dbraw/zinc/22/22/12/586222212.db2.gz WDBNMNSDVPZFJD-SNVBAGLBSA-N 1 2 244.335 0.548 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(OC)nn1 ZINC000801512769 586260084 /nfs/dbraw/zinc/26/00/84/586260084.db2.gz ZQDKIHHFFYZYON-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(OC)nn1 ZINC000801512769 586260086 /nfs/dbraw/zinc/26/00/86/586260086.db2.gz ZQDKIHHFFYZYON-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562856 586263236 /nfs/dbraw/zinc/26/32/36/586263236.db2.gz GWUNABNHCJNHKT-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562856 586263237 /nfs/dbraw/zinc/26/32/37/586263237.db2.gz GWUNABNHCJNHKT-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO COC(C[N@@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000801564137 586263440 /nfs/dbraw/zinc/26/34/40/586263440.db2.gz XKQMALVRXLOAJQ-SSDOTTSWSA-N 1 2 225.235 0.571 20 0 BCADLO COC(C[N@H+]1CCO[C@@H](C(F)F)C1)OC ZINC000801564137 586263443 /nfs/dbraw/zinc/26/34/43/586263443.db2.gz XKQMALVRXLOAJQ-SSDOTTSWSA-N 1 2 225.235 0.571 20 0 BCADLO O=C1O[C@H](C[N@@H+]2CCOCC23CC3)CC12CC2 ZINC000801981974 586285128 /nfs/dbraw/zinc/28/51/28/586285128.db2.gz YEKJIMCZWHANJI-JTQLQIEISA-N 1 2 237.299 0.947 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCOCC23CC3)CC12CC2 ZINC000801981974 586285130 /nfs/dbraw/zinc/28/51/30/586285130.db2.gz YEKJIMCZWHANJI-JTQLQIEISA-N 1 2 237.299 0.947 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@](F)(CO)C1 ZINC000802012751 586286432 /nfs/dbraw/zinc/28/64/32/586286432.db2.gz WPYGELHUHMEDIT-IMAIQDNJSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@](F)(CO)C1 ZINC000802012751 586286434 /nfs/dbraw/zinc/28/64/34/586286434.db2.gz WPYGELHUHMEDIT-IMAIQDNJSA-N 1 2 231.267 0.512 20 0 BCADLO Cn1c[nH+]cc1COC(=O)C1=CCOCC1 ZINC000802098726 586289071 /nfs/dbraw/zinc/28/90/71/586289071.db2.gz YBSFSQXTOCDWQS-UHFFFAOYSA-N 1 2 222.244 0.810 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802237009 586297715 /nfs/dbraw/zinc/29/77/15/586297715.db2.gz WECXXAQIZLATNQ-HBNTYKKESA-N 1 2 245.294 0.998 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802237009 586297717 /nfs/dbraw/zinc/29/77/17/586297717.db2.gz WECXXAQIZLATNQ-HBNTYKKESA-N 1 2 245.294 0.998 20 0 BCADLO C[C@@H]1C[C@H](C(=O)O[C@H]2CC[N@H+](CCF)C2)CO1 ZINC000802232057 586297744 /nfs/dbraw/zinc/29/77/44/586297744.db2.gz PKSSOLGIEDSXGH-VWYCJHECSA-N 1 2 245.294 0.998 20 0 BCADLO C[C@@H]1C[C@H](C(=O)O[C@H]2CC[N@@H+](CCF)C2)CO1 ZINC000802232057 586297746 /nfs/dbraw/zinc/29/77/46/586297746.db2.gz PKSSOLGIEDSXGH-VWYCJHECSA-N 1 2 245.294 0.998 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802237007 586298322 /nfs/dbraw/zinc/29/83/22/586298322.db2.gz WECXXAQIZLATNQ-GARJFASQSA-N 1 2 245.294 0.998 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802237007 586298323 /nfs/dbraw/zinc/29/83/23/586298323.db2.gz WECXXAQIZLATNQ-GARJFASQSA-N 1 2 245.294 0.998 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239978 586298449 /nfs/dbraw/zinc/29/84/49/586298449.db2.gz SSQGDQHAHSXDRK-WPRPVWTQSA-N 1 2 246.282 0.098 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239978 586298450 /nfs/dbraw/zinc/29/84/50/586298450.db2.gz SSQGDQHAHSXDRK-WPRPVWTQSA-N 1 2 246.282 0.098 20 0 BCADLO CC(=O)N[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239975 586298502 /nfs/dbraw/zinc/29/85/02/586298502.db2.gz SSQGDQHAHSXDRK-SCZZXKLOSA-N 1 2 246.282 0.098 20 0 BCADLO CC(=O)N[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239975 586298505 /nfs/dbraw/zinc/29/85/05/586298505.db2.gz SSQGDQHAHSXDRK-SCZZXKLOSA-N 1 2 246.282 0.098 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000839960629 586300154 /nfs/dbraw/zinc/30/01/54/586300154.db2.gz QYFRINCVWFDINN-HBNTYKKESA-N 1 2 226.320 0.922 20 0 BCADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000839960629 586300156 /nfs/dbraw/zinc/30/01/56/586300156.db2.gz QYFRINCVWFDINN-HBNTYKKESA-N 1 2 226.320 0.922 20 0 BCADLO O=C1CCCN1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802746338 586312254 /nfs/dbraw/zinc/31/22/54/586312254.db2.gz LMSQFIVACDAGBL-QMMMGPOBSA-N 1 2 234.246 0.880 20 0 BCADLO O=C1CCCN1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802746338 586312256 /nfs/dbraw/zinc/31/22/56/586312256.db2.gz LMSQFIVACDAGBL-QMMMGPOBSA-N 1 2 234.246 0.880 20 0 BCADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@@H+]1CCCOCC1 ZINC000839984872 586326817 /nfs/dbraw/zinc/32/68/17/586326817.db2.gz YRKQNDBONGAUIJ-NEPJUHHUSA-N 1 2 238.331 0.925 20 0 BCADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@H+]1CCCOCC1 ZINC000839984872 586326819 /nfs/dbraw/zinc/32/68/19/586326819.db2.gz YRKQNDBONGAUIJ-NEPJUHHUSA-N 1 2 238.331 0.925 20 0 BCADLO C[C@@H]1CCC[N@@H+]1CN1C(=O)c2nccnc2C1=O ZINC000840015559 586371498 /nfs/dbraw/zinc/37/14/98/586371498.db2.gz RGECIPSMMPYQQY-MRVPVSSYSA-N 1 2 246.270 0.514 20 0 BCADLO C[C@@H]1CCC[N@H+]1CN1C(=O)c2nccnc2C1=O ZINC000840015559 586371500 /nfs/dbraw/zinc/37/15/00/586371500.db2.gz RGECIPSMMPYQQY-MRVPVSSYSA-N 1 2 246.270 0.514 20 0 BCADLO Cc1nonc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333945 586391457 /nfs/dbraw/zinc/39/14/57/586391457.db2.gz UBFAVSDOOLZPDI-MRVPVSSYSA-N 1 2 247.258 0.319 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnsn1 ZINC000804334234 586391491 /nfs/dbraw/zinc/39/14/91/586391491.db2.gz ZMZKLJBSNBLXFB-SSDOTTSWSA-N 1 2 249.299 0.479 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333946 586391753 /nfs/dbraw/zinc/39/17/53/586391753.db2.gz UBFAVSDOOLZPDI-QMMMGPOBSA-N 1 2 247.258 0.319 20 0 BCADLO CCOCC[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840043851 586392707 /nfs/dbraw/zinc/39/27/07/586392707.db2.gz SYLQLKYYVKSFIL-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO CCOCC[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840043851 586392710 /nfs/dbraw/zinc/39/27/10/586392710.db2.gz SYLQLKYYVKSFIL-UHFFFAOYSA-N 1 2 249.314 0.963 20 0 BCADLO COC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804437520 586394442 /nfs/dbraw/zinc/39/44/42/586394442.db2.gz DCPSMJWSCSDZTE-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000840049141 586398196 /nfs/dbraw/zinc/39/81/96/586398196.db2.gz RQXAPTSXYPQVRL-PWSUYJOCSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1CCN(C[N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000840049141 586398199 /nfs/dbraw/zinc/39/81/99/586398199.db2.gz RQXAPTSXYPQVRL-PWSUYJOCSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CCCNC(=O)[C@@H]2C)C1=O ZINC000840057004 586407367 /nfs/dbraw/zinc/40/73/67/586407367.db2.gz YTKNOYVEXZITEW-UWVGGRQHSA-N 1 2 239.319 0.023 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CCCNC(=O)[C@@H]2C)C1=O ZINC000840057004 586407370 /nfs/dbraw/zinc/40/73/70/586407370.db2.gz YTKNOYVEXZITEW-UWVGGRQHSA-N 1 2 239.319 0.023 20 0 BCADLO O=C(Cc1ccc(F)cn1)NCCc1[nH]cc[nH+]1 ZINC000806831062 586418664 /nfs/dbraw/zinc/41/86/64/586418664.db2.gz OVYRBXYNFKWPPG-UHFFFAOYSA-N 1 2 248.261 0.845 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859640906 589051322 /nfs/dbraw/zinc/05/13/22/589051322.db2.gz ZWTNDJPRPSLWLB-VHSXEESVSA-N 1 2 213.277 0.613 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859640906 589051324 /nfs/dbraw/zinc/05/13/24/589051324.db2.gz ZWTNDJPRPSLWLB-VHSXEESVSA-N 1 2 213.277 0.613 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cc(Cl)[nH]n1 ZINC000807121293 586423747 /nfs/dbraw/zinc/42/37/47/586423747.db2.gz AUFVRZVIOIKWCH-UHFFFAOYSA-N 1 2 239.666 0.978 20 0 BCADLO CN(C)C(=O)C[NH+]1CCN(C/C=C\Cl)CC1 ZINC000807267947 586430940 /nfs/dbraw/zinc/43/09/40/586430940.db2.gz GYCNRDXVRYCUOD-ARJAWSKDSA-N 1 2 245.754 0.445 20 0 BCADLO O=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nnn1C1CC1 ZINC000808154470 586464866 /nfs/dbraw/zinc/46/48/66/586464866.db2.gz NSSGSXBWYKAXJU-NSHDSACASA-N 1 2 249.318 0.607 20 0 BCADLO O=c1n(C[N@H+]2CCC[C@H]2C2CC2)nnn1C1CC1 ZINC000808154470 586464867 /nfs/dbraw/zinc/46/48/67/586464867.db2.gz NSSGSXBWYKAXJU-NSHDSACASA-N 1 2 249.318 0.607 20 0 BCADLO C[C@@H]1CCC[N@@H+]1Cn1nnn(C2CC2)c1=O ZINC000808164168 586465258 /nfs/dbraw/zinc/46/52/58/586465258.db2.gz CWDQEUJREJASFV-MRVPVSSYSA-N 1 2 223.280 0.217 20 0 BCADLO C[C@@H]1CCC[N@H+]1Cn1nnn(C2CC2)c1=O ZINC000808164168 586465260 /nfs/dbraw/zinc/46/52/60/586465260.db2.gz CWDQEUJREJASFV-MRVPVSSYSA-N 1 2 223.280 0.217 20 0 BCADLO C[N@H+](CN1CC(C)(C)CC1=O)[C@@H]1CCNC1=O ZINC000808174795 586466004 /nfs/dbraw/zinc/46/60/04/586466004.db2.gz UYSPJFLLWVETDL-SECBINFHSA-N 1 2 239.319 0.023 20 0 BCADLO C[N@@H+](CN1CC(C)(C)CC1=O)[C@@H]1CCNC1=O ZINC000808174795 586466005 /nfs/dbraw/zinc/46/60/05/586466005.db2.gz UYSPJFLLWVETDL-SECBINFHSA-N 1 2 239.319 0.023 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751636 586488045 /nfs/dbraw/zinc/48/80/45/586488045.db2.gz FYQKYULBQGIEMP-GARJFASQSA-N 1 2 245.319 0.003 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751636 586488046 /nfs/dbraw/zinc/48/80/46/586488046.db2.gz FYQKYULBQGIEMP-GARJFASQSA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000808750757 586488108 /nfs/dbraw/zinc/48/81/08/586488108.db2.gz STHITPXUTGAZHU-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000808750757 586488109 /nfs/dbraw/zinc/48/81/09/586488109.db2.gz STHITPXUTGAZHU-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC000809566195 586506888 /nfs/dbraw/zinc/50/68/88/586506888.db2.gz DJJKEXMLWBGNKH-UHFFFAOYSA-N 1 2 237.303 0.677 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CCC2(C1)OCCO2 ZINC000809566195 586506889 /nfs/dbraw/zinc/50/68/89/586506889.db2.gz DJJKEXMLWBGNKH-UHFFFAOYSA-N 1 2 237.303 0.677 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1Cc2ccncc2C1 ZINC000809565022 586507114 /nfs/dbraw/zinc/50/71/14/586507114.db2.gz QYTQXKBFLNTMNO-SNVBAGLBSA-N 1 2 203.245 0.286 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1Cc2ccncc2C1 ZINC000809565022 586507115 /nfs/dbraw/zinc/50/71/15/586507115.db2.gz QYTQXKBFLNTMNO-SNVBAGLBSA-N 1 2 203.245 0.286 20 0 BCADLO Cc1nonc1C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000809745076 586516432 /nfs/dbraw/zinc/51/64/32/586516432.db2.gz LOFOXQFPDAKGCU-QPUJVOFHSA-N 1 2 236.319 0.950 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1C ZINC000809985869 586528745 /nfs/dbraw/zinc/52/87/45/586528745.db2.gz SZXUUOCDPMPYMX-ONGXEEELSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1C ZINC000809985869 586528746 /nfs/dbraw/zinc/52/87/46/586528746.db2.gz SZXUUOCDPMPYMX-ONGXEEELSA-N 1 2 224.308 0.672 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809981992 586528859 /nfs/dbraw/zinc/52/88/59/586528859.db2.gz DHPPLQHFDIAZRT-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809981992 586528860 /nfs/dbraw/zinc/52/88/60/586528860.db2.gz DHPPLQHFDIAZRT-LBPRGKRZSA-N 1 2 238.335 0.800 20 0 BCADLO Cc1ncccc1CO[NH+]=C(N)CCO ZINC000809998428 586530169 /nfs/dbraw/zinc/53/01/69/586530169.db2.gz QZCHLHGIBJVBLS-UHFFFAOYSA-N 1 2 209.249 0.771 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000810015904 586531235 /nfs/dbraw/zinc/53/12/35/586531235.db2.gz SUCVUHZGPPLUKQ-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000810015904 586531237 /nfs/dbraw/zinc/53/12/37/586531237.db2.gz SUCVUHZGPPLUKQ-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cc1cnc(C[N@@H+](CCO)C[C@@H](C)O)s1 ZINC000810040782 586532086 /nfs/dbraw/zinc/53/20/86/586532086.db2.gz BNAGTEFWPMYKBO-MRVPVSSYSA-N 1 2 230.333 0.627 20 0 BCADLO Cc1cnc(C[N@H+](CCO)C[C@@H](C)O)s1 ZINC000810040782 586532088 /nfs/dbraw/zinc/53/20/88/586532088.db2.gz BNAGTEFWPMYKBO-MRVPVSSYSA-N 1 2 230.333 0.627 20 0 BCADLO C[C@]1([NH2+]C[C@@H](O)Cc2ccccc2)CCOC1=O ZINC000810096070 586533613 /nfs/dbraw/zinc/53/36/13/586533613.db2.gz DBWMOSDYQFBFQN-JSGCOSHPSA-N 1 2 249.310 0.885 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H](F)C(F)(F)F ZINC000810386201 586538830 /nfs/dbraw/zinc/53/88/30/586538830.db2.gz PXOFJPVEOFRSKJ-YFKPBYRVSA-N 1 2 225.145 0.926 20 0 BCADLO CN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810467670 586539704 /nfs/dbraw/zinc/53/97/04/586539704.db2.gz XNQGBGNZZLIUMA-LURJTMIESA-N 1 2 230.205 0.907 20 0 BCADLO CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810467670 586539705 /nfs/dbraw/zinc/53/97/05/586539705.db2.gz XNQGBGNZZLIUMA-LURJTMIESA-N 1 2 230.205 0.907 20 0 BCADLO O=C(NCC[NH+]1CCC1)[C@H](F)C(F)(F)F ZINC000810708108 586545216 /nfs/dbraw/zinc/54/52/16/586545216.db2.gz LKVFMKWHEFCFQX-LURJTMIESA-N 1 2 228.189 0.709 20 0 BCADLO O=C(NCC[NH+]1CCC1)C(F)C(F)(F)F ZINC000810708108 586545217 /nfs/dbraw/zinc/54/52/17/586545217.db2.gz LKVFMKWHEFCFQX-LURJTMIESA-N 1 2 228.189 0.709 20 0 BCADLO O=C(NCC[NH+]1CCC1)[C@@H](F)C(F)(F)F ZINC000810708109 586545230 /nfs/dbraw/zinc/54/52/30/586545230.db2.gz LKVFMKWHEFCFQX-ZCFIWIBFSA-N 1 2 228.189 0.709 20 0 BCADLO O=C(NCC[NH+]1CCC1)C(F)C(F)(F)F ZINC000810708109 586545231 /nfs/dbraw/zinc/54/52/31/586545231.db2.gz LKVFMKWHEFCFQX-ZCFIWIBFSA-N 1 2 228.189 0.709 20 0 BCADLO Cn1cnc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)n1 ZINC000810753466 586546222 /nfs/dbraw/zinc/54/62/22/586546222.db2.gz AXNISKIKORNTMN-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO Cn1cnc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC000810753466 586546223 /nfs/dbraw/zinc/54/62/23/586546223.db2.gz AXNISKIKORNTMN-MRVPVSSYSA-N 1 2 242.254 0.016 20 0 BCADLO C[NH+](C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810795516 586547546 /nfs/dbraw/zinc/54/75/46/586547546.db2.gz GGVGFAQQNCNXPL-ZCFIWIBFSA-N 1 2 228.189 0.659 20 0 BCADLO C[NH+](C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000810795516 586547547 /nfs/dbraw/zinc/54/75/47/586547547.db2.gz GGVGFAQQNCNXPL-ZCFIWIBFSA-N 1 2 228.189 0.659 20 0 BCADLO CNC(=S)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811713250 586566142 /nfs/dbraw/zinc/56/61/42/586566142.db2.gz WSFWJFMWUDTBIW-LURJTMIESA-N 1 2 210.306 0.361 20 0 BCADLO CNC(=S)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811713250 586566143 /nfs/dbraw/zinc/56/61/43/586566143.db2.gz WSFWJFMWUDTBIW-LURJTMIESA-N 1 2 210.306 0.361 20 0 BCADLO CCCNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712284 586566231 /nfs/dbraw/zinc/56/62/31/586566231.db2.gz OAOXTFNUCVNFGX-UHFFFAOYSA-N 1 2 224.333 0.983 20 0 BCADLO O=C1CN(c2cc(NC3CC3)[nH+]cn2)CCCN1 ZINC000840254544 586577476 /nfs/dbraw/zinc/57/74/76/586577476.db2.gz CWQUZYWLSBUSHK-UHFFFAOYSA-N 1 2 247.302 0.377 20 0 BCADLO O=C1CN(c2cc(NC3CC3)nc[nH+]2)CCCN1 ZINC000840254544 586577477 /nfs/dbraw/zinc/57/74/77/586577477.db2.gz CWQUZYWLSBUSHK-UHFFFAOYSA-N 1 2 247.302 0.377 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)Nc1ccon1 ZINC000812867865 586588089 /nfs/dbraw/zinc/58/80/89/586588089.db2.gz FQGZNXOVWODCOU-MRVPVSSYSA-N 1 2 239.275 0.458 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1CC(=O)Nc1ccon1 ZINC000812867865 586588090 /nfs/dbraw/zinc/58/80/90/586588090.db2.gz FQGZNXOVWODCOU-MRVPVSSYSA-N 1 2 239.275 0.458 20 0 BCADLO Cn1ncc(CNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000840302756 586608518 /nfs/dbraw/zinc/60/85/18/586608518.db2.gz QEQLJACVYAYPPB-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO Cn1ncc(CNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000840302756 586608519 /nfs/dbraw/zinc/60/85/19/586608519.db2.gz QEQLJACVYAYPPB-UHFFFAOYSA-N 1 2 245.290 0.792 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccc(F)nc1 ZINC000814177506 586615933 /nfs/dbraw/zinc/61/59/33/586615933.db2.gz FKKAOTRJWINXRK-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccc(F)nc1 ZINC000814177506 586615934 /nfs/dbraw/zinc/61/59/34/586615934.db2.gz FKKAOTRJWINXRK-UHFFFAOYSA-N 1 2 225.267 0.918 20 0 BCADLO C[C@H]1CN(C(=O)COc2cc[nH+]cc2)CCO1 ZINC000814266194 586621043 /nfs/dbraw/zinc/62/10/43/586621043.db2.gz XZBHHLCCFLBOEU-JTQLQIEISA-N 1 2 236.271 0.708 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1nccn1C ZINC000814306365 586621233 /nfs/dbraw/zinc/62/12/33/586621233.db2.gz UKJJEQVQROSSIV-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO CCc1ccc(C[N@@H+]2CCCNC(=O)C2)nc1 ZINC000815033585 586664384 /nfs/dbraw/zinc/66/43/84/586664384.db2.gz MGTVJJVCMHBKEY-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO CCc1ccc(C[N@H+]2CCCNC(=O)C2)nc1 ZINC000815033585 586664386 /nfs/dbraw/zinc/66/43/86/586664386.db2.gz MGTVJJVCMHBKEY-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2[nH+]ccn2C)n1 ZINC000815386415 586681993 /nfs/dbraw/zinc/68/19/93/586681993.db2.gz LVLRUGCBWAFEAE-UHFFFAOYSA-N 1 2 248.290 0.270 20 0 BCADLO CCn1ncc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000815426348 586684187 /nfs/dbraw/zinc/68/41/87/586684187.db2.gz HPZNCEIEFIMLDA-UHFFFAOYSA-N 1 2 235.247 0.352 20 0 BCADLO CCn1ncc(C(=O)OCc2c[nH+]cn2C)n1 ZINC000815967635 586700396 /nfs/dbraw/zinc/70/03/96/586700396.db2.gz HWXWHUGYKNYXIJ-UHFFFAOYSA-N 1 2 235.247 0.389 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cc(C=O)c[nH]1 ZINC000816046793 586705678 /nfs/dbraw/zinc/70/56/78/586705678.db2.gz LMZGTAFFQLPBJR-UHFFFAOYSA-N 1 2 246.270 0.533 20 0 BCADLO CC[C@@H](NC(=O)c1cnn(CC)n1)c1[nH]cc[nH+]1 ZINC000816144447 586710984 /nfs/dbraw/zinc/71/09/84/586710984.db2.gz ZALAFUPDNDDSJP-MRVPVSSYSA-N 1 2 248.290 0.902 20 0 BCADLO Cc1nc(N)c(CNC(=O)C(F)F)c[nH+]1 ZINC000816576037 586742175 /nfs/dbraw/zinc/74/21/75/586742175.db2.gz HFBITNQKJGYSQC-UHFFFAOYSA-N 1 2 216.191 0.249 20 0 BCADLO Cn1ncc(C[NH+]2CC([C@H]3CCOC3)C2)n1 ZINC000816594960 586742976 /nfs/dbraw/zinc/74/29/76/586742976.db2.gz UQGMOJOHRVCSAF-VIFPVBQESA-N 1 2 222.292 0.283 20 0 BCADLO Cn1ncc(C[N@H+](C)CCCO)c1Cl ZINC000816599245 586743498 /nfs/dbraw/zinc/74/34/98/586743498.db2.gz HBEPBENOGOPQSA-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1ncc(C[N@@H+](C)CCCO)c1Cl ZINC000816599245 586743500 /nfs/dbraw/zinc/74/35/00/586743500.db2.gz HBEPBENOGOPQSA-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCO1 ZINC000816810075 586764981 /nfs/dbraw/zinc/76/49/81/586764981.db2.gz WIHGYIXQAXPKDC-QMMMGPOBSA-N 1 2 209.249 0.247 20 0 BCADLO COc1ncccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816850710 586768483 /nfs/dbraw/zinc/76/84/83/586768483.db2.gz CPJGOFMNGDVJSE-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816862133 586769036 /nfs/dbraw/zinc/76/90/36/586769036.db2.gz XCUJTONTPMIUKQ-SECBINFHSA-N 1 2 233.275 0.354 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1nnc2ccccn21 ZINC000816861513 586769102 /nfs/dbraw/zinc/76/91/02/586769102.db2.gz ZUBRVODZGBSAGF-UHFFFAOYSA-N 1 2 242.242 0.634 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(O)cc1 ZINC000816890327 586769393 /nfs/dbraw/zinc/76/93/93/586769393.db2.gz GYCBBMKFANRUEI-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816916144 586770812 /nfs/dbraw/zinc/77/08/12/586770812.db2.gz WZRXZNHFDMZYPK-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CN(C[C@@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816921116 586771029 /nfs/dbraw/zinc/77/10/29/586771029.db2.gz LZNHNRZIDOVQML-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO Cc1ccc([C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000816932262 586772077 /nfs/dbraw/zinc/77/20/77/586772077.db2.gz INZNHDNIPHXWJU-VIFPVBQESA-N 1 2 249.270 0.703 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCc2c[nH]nc21 ZINC000816949106 586773617 /nfs/dbraw/zinc/77/36/17/586773617.db2.gz OLEHBLLKCCBVCS-VIFPVBQESA-N 1 2 245.286 0.869 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816950195 586774018 /nfs/dbraw/zinc/77/40/18/586774018.db2.gz NFHWDLVLYCNEGV-QMMMGPOBSA-N 1 2 211.265 0.085 20 0 BCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816954762 586774160 /nfs/dbraw/zinc/77/41/60/586774160.db2.gz KGFJZTVAAKTOPC-UWVGGRQHSA-N 1 2 237.303 0.714 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NN1CCCCC1 ZINC000816955950 586774492 /nfs/dbraw/zinc/77/44/92/586774492.db2.gz RJKBSLRVAIPDIL-UHFFFAOYSA-N 1 2 208.265 0.469 20 0 BCADLO CC(C)(C)C[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816963318 586775235 /nfs/dbraw/zinc/77/52/35/586775235.db2.gz GCVZMSGLWYAWKO-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO Cn1cnc(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC000817153795 586784567 /nfs/dbraw/zinc/78/45/67/586784567.db2.gz SCDJPWTVMKRFBA-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000817280274 586792364 /nfs/dbraw/zinc/79/23/64/586792364.db2.gz BLLFVFMBQGPJGX-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000817280274 586792366 /nfs/dbraw/zinc/79/23/66/586792366.db2.gz BLLFVFMBQGPJGX-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO O=C1NCC2(C[NH+](CC3(O)CCCCC3)C2)O1 ZINC000817570884 586812095 /nfs/dbraw/zinc/81/20/95/586812095.db2.gz IQEQYABMGSGYOH-UHFFFAOYSA-N 1 2 240.303 0.476 20 0 BCADLO C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C(=O)[O-] ZINC000818051738 586867250 /nfs/dbraw/zinc/86/72/50/586867250.db2.gz AEUXZTVAAROLOG-VIFPVBQESA-N 1 2 246.270 0.830 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000818101721 586874547 /nfs/dbraw/zinc/87/45/47/586874547.db2.gz FMLZPCXNDAKEEK-NXEZZACHSA-N 1 2 223.276 0.851 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000818101721 586874549 /nfs/dbraw/zinc/87/45/49/586874549.db2.gz FMLZPCXNDAKEEK-NXEZZACHSA-N 1 2 223.276 0.851 20 0 BCADLO Cc1nc([C@H](C)OC(=O)Cn2c[nH+]cc2C)n[nH]1 ZINC000859946247 589072073 /nfs/dbraw/zinc/07/20/73/589072073.db2.gz MNFZNVWJHKGVHH-QMMMGPOBSA-N 1 2 249.274 0.922 20 0 BCADLO C[N@H+](Cc1cnsn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962000 589073668 /nfs/dbraw/zinc/07/36/68/589073668.db2.gz CNMVDGVOSCIOKD-WRXNHJIOSA-N 1 2 226.305 0.234 20 0 BCADLO C[N@@H+](Cc1cnsn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962000 589073669 /nfs/dbraw/zinc/07/36/69/589073669.db2.gz CNMVDGVOSCIOKD-WRXNHJIOSA-N 1 2 226.305 0.234 20 0 BCADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cn1 ZINC000818957241 586917173 /nfs/dbraw/zinc/91/71/73/586917173.db2.gz TVWPPOLPRCFKHE-NSHDSACASA-N 1 2 236.250 0.767 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000818987559 586920161 /nfs/dbraw/zinc/92/01/61/586920161.db2.gz ZLVAFAYOCNCDEE-SSDOTTSWSA-N 1 2 247.320 0.463 20 0 BCADLO CCc1cc(C[NH2+]CCS(=O)(=O)CC)on1 ZINC000819095660 586930849 /nfs/dbraw/zinc/93/08/49/586930849.db2.gz YRBUIKSVOIYOKD-UHFFFAOYSA-N 1 2 246.332 0.761 20 0 BCADLO CCc1nc(C[NH2+]CCS(C)(=O)=O)co1 ZINC000819357401 586956421 /nfs/dbraw/zinc/95/64/21/586956421.db2.gz RXYNZUYTHFAUJE-UHFFFAOYSA-N 1 2 232.305 0.371 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000819365997 586957407 /nfs/dbraw/zinc/95/74/07/586957407.db2.gz GJTGCMKDXXPPJP-SECBINFHSA-N 1 2 245.348 0.505 20 0 BCADLO Cc1ccnn1CC(=O)OCCc1c[nH+]cn1C ZINC000860061665 589077625 /nfs/dbraw/zinc/07/76/25/589077625.db2.gz MYOIMKJEQKXJJF-UHFFFAOYSA-N 1 2 248.286 0.711 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819535632 586975188 /nfs/dbraw/zinc/97/51/88/586975188.db2.gz ZLNIKKRWBASLBH-ZWNMCFTASA-N 1 2 235.287 0.772 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819535631 586975229 /nfs/dbraw/zinc/97/52/29/586975229.db2.gz ZLNIKKRWBASLBH-WYGGZMRJSA-N 1 2 235.287 0.772 20 0 BCADLO O=C(N[C@@H]1CC[C@H]1O)c1cccc2[nH+]ccn21 ZINC000819686093 586986006 /nfs/dbraw/zinc/98/60/06/586986006.db2.gz UGSHGHDATMAUFW-PSASIEDQSA-N 1 2 231.255 0.587 20 0 BCADLO COC(OC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000820176817 587032394 /nfs/dbraw/zinc/03/23/94/587032394.db2.gz JYQJKCISKSAZAB-VIFPVBQESA-N 1 2 241.291 0.254 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820191688 587032749 /nfs/dbraw/zinc/03/27/49/587032749.db2.gz LZFLPGXBJUUYOZ-SFYZADRCSA-N 1 2 211.265 0.748 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3cscn3)C[C@H]12 ZINC000860157557 589082669 /nfs/dbraw/zinc/08/26/69/589082669.db2.gz YOSXEWCEXPLCAE-CBAPKCEASA-N 1 2 224.285 0.748 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3cscn3)C[C@H]12 ZINC000860157557 589082670 /nfs/dbraw/zinc/08/26/70/589082670.db2.gz YOSXEWCEXPLCAE-CBAPKCEASA-N 1 2 224.285 0.748 20 0 BCADLO CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820348406 587044715 /nfs/dbraw/zinc/04/47/15/587044715.db2.gz TUDMKROVXAROJY-VHSXEESVSA-N 1 2 214.309 0.924 20 0 BCADLO CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000820348406 587044716 /nfs/dbraw/zinc/04/47/16/587044716.db2.gz TUDMKROVXAROJY-VHSXEESVSA-N 1 2 214.309 0.924 20 0 BCADLO CCC[C@H](O)C(=O)NCc1c[nH+]ccc1OC ZINC000820421146 587047448 /nfs/dbraw/zinc/04/74/48/587047448.db2.gz GTVPJCCPKJXWNI-JTQLQIEISA-N 1 2 238.287 0.867 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1c[nH+]ccc1OC ZINC000820421327 587047550 /nfs/dbraw/zinc/04/75/50/587047550.db2.gz MOHOBCGQMVBUGK-GFCCVEGCSA-N 1 2 238.287 0.867 20 0 BCADLO C[C@@H](CF)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820427208 587048226 /nfs/dbraw/zinc/04/82/26/587048226.db2.gz CTRCUPTUJFXZSS-RTMURIBGSA-N 1 2 211.240 0.908 20 0 BCADLO CCN(CC(C)=O)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820489418 587051406 /nfs/dbraw/zinc/05/14/06/587051406.db2.gz CGCAIJBXLUVXCX-AATRIKPKSA-N 1 2 235.287 0.871 20 0 BCADLO CCN(CC(C)=O)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820489420 587051534 /nfs/dbraw/zinc/05/15/34/587051534.db2.gz CGCAIJBXLUVXCX-WAYWQWQTSA-N 1 2 235.287 0.871 20 0 BCADLO CON(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000820508189 587052054 /nfs/dbraw/zinc/05/20/54/587052054.db2.gz VWAIPPYNRDBXTF-HTQZYQBOSA-N 1 2 209.249 0.543 20 0 BCADLO CCONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000820523426 587052406 /nfs/dbraw/zinc/05/24/06/587052406.db2.gz KSCGYXKSQNQRAX-SSDOTTSWSA-N 1 2 209.249 0.582 20 0 BCADLO CCONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000820523426 587052407 /nfs/dbraw/zinc/05/24/07/587052407.db2.gz KSCGYXKSQNQRAX-SSDOTTSWSA-N 1 2 209.249 0.582 20 0 BCADLO C[N@H+](CC(=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000820569151 587055342 /nfs/dbraw/zinc/05/53/42/587055342.db2.gz MMUYEPGAKFXNOP-UHFFFAOYSA-N 1 2 244.335 0.361 20 0 BCADLO C[N@@H+](CC(=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000820569151 587055344 /nfs/dbraw/zinc/05/53/44/587055344.db2.gz MMUYEPGAKFXNOP-UHFFFAOYSA-N 1 2 244.335 0.361 20 0 BCADLO CO[C@H](CNC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000820670678 587065192 /nfs/dbraw/zinc/06/51/92/587065192.db2.gz LISKTIYITMWXFJ-FOQNGQEVSA-N 1 2 249.314 0.975 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860158333 589083362 /nfs/dbraw/zinc/08/33/62/589083362.db2.gz LOPVLPWQSVMVAI-NXEZZACHSA-N 1 2 241.287 0.435 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860158333 589083364 /nfs/dbraw/zinc/08/33/64/589083364.db2.gz LOPVLPWQSVMVAI-NXEZZACHSA-N 1 2 241.287 0.435 20 0 BCADLO COC1CC[NH+](CC[NH2+][C@@H](C)CC(=O)[O-])CC1 ZINC000820703158 587067661 /nfs/dbraw/zinc/06/76/61/587067661.db2.gz QGROUXKSJTYKKO-JTQLQIEISA-N 1 2 244.335 0.550 20 0 BCADLO CC(C)[NH+]1CCN(S(=O)(=O)C2CCC2)CC1 ZINC000820784754 587072272 /nfs/dbraw/zinc/07/22/72/587072272.db2.gz XEWPYWJHXPNCIT-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO Cn1c[nH+]cc1CN[C@@H](CCO)C(F)(F)F ZINC000820845999 587077220 /nfs/dbraw/zinc/07/72/20/587077220.db2.gz BIGYYVLTAHGECE-QMMMGPOBSA-N 1 2 237.225 0.823 20 0 BCADLO CC[C@H](CO)N(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820958587 587084814 /nfs/dbraw/zinc/08/48/14/587084814.db2.gz ZDHYVYNTEGEAFP-ISALQUGTSA-N 1 2 237.303 0.663 20 0 BCADLO COC(=O)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000821016081 587088566 /nfs/dbraw/zinc/08/85/66/587088566.db2.gz FVCNLNGOGXGEFE-QMMMGPOBSA-N 1 2 237.259 0.116 20 0 BCADLO COC(OC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000821042244 587090521 /nfs/dbraw/zinc/09/05/21/587090521.db2.gz BDPUHFRSECSPEP-UHFFFAOYSA-N 1 2 241.291 0.351 20 0 BCADLO COC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000821259453 587103954 /nfs/dbraw/zinc/10/39/54/587103954.db2.gz JMIUSGVWYNMZSP-LLVKDONJSA-N 1 2 208.261 0.405 20 0 BCADLO COC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000821259453 587103956 /nfs/dbraw/zinc/10/39/56/587103956.db2.gz JMIUSGVWYNMZSP-LLVKDONJSA-N 1 2 208.261 0.405 20 0 BCADLO CSC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000821360676 587106898 /nfs/dbraw/zinc/10/68/98/587106898.db2.gz WCKZMQXXKZJGRW-UHFFFAOYSA-N 1 2 246.376 0.265 20 0 BCADLO CC1=NO[C@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000821370023 587113201 /nfs/dbraw/zinc/11/32/01/587113201.db2.gz ODKQDACEXMYEEH-UFFNRZRYSA-N 1 2 248.286 0.714 20 0 BCADLO CC(C)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)COC1 ZINC000821385394 587114671 /nfs/dbraw/zinc/11/46/71/587114671.db2.gz KOIAPEQEXABOJV-SNVBAGLBSA-N 1 2 249.314 0.597 20 0 BCADLO CCC[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385723 587115278 /nfs/dbraw/zinc/11/52/78/587115278.db2.gz NMBISLOVXRCHPZ-SCZZXKLOSA-N 1 2 223.276 0.085 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821460264 587121242 /nfs/dbraw/zinc/12/12/42/587121242.db2.gz YKCHHFNKOADBIG-RKDXNWHRSA-N 1 2 235.287 0.544 20 0 BCADLO O=C(NC1(CO)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821460264 587121243 /nfs/dbraw/zinc/12/12/43/587121243.db2.gz YKCHHFNKOADBIG-RKDXNWHRSA-N 1 2 235.287 0.544 20 0 BCADLO Cn1c[nH+]c(/C=C\C(=O)NCCC2(CO)CC2)c1 ZINC000821799437 587138909 /nfs/dbraw/zinc/13/89/09/587138909.db2.gz GFFIUPOQSISJIK-IHWYPQMZSA-N 1 2 249.314 0.712 20 0 BCADLO C[C@@H]1[C@H](O)CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821856757 587144156 /nfs/dbraw/zinc/14/41/56/587144156.db2.gz FNKGZOMQNBNTJY-QKXNICGJSA-N 1 2 235.287 0.415 20 0 BCADLO CN(C(=O)C[NH+]1CCCC1)c1nncs1 ZINC000821975910 587148215 /nfs/dbraw/zinc/14/82/15/587148215.db2.gz KFYLDMFRFWIMAF-UHFFFAOYSA-N 1 2 226.305 0.597 20 0 BCADLO C[C@H](O)CC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000822774274 587185609 /nfs/dbraw/zinc/18/56/09/587185609.db2.gz CRESGXMKGPDHKY-VIFPVBQESA-N 1 2 235.349 0.266 20 0 BCADLO C[C@H](O)CC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000822774274 587185610 /nfs/dbraw/zinc/18/56/10/587185610.db2.gz CRESGXMKGPDHKY-VIFPVBQESA-N 1 2 235.349 0.266 20 0 BCADLO COC[C@@]1(C)C[N@H+](CC[S@@](C)=O)CCO1 ZINC000860202654 589089400 /nfs/dbraw/zinc/08/94/00/589089400.db2.gz PCECEGGAGHGNBN-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000860202654 589089402 /nfs/dbraw/zinc/08/94/02/589089402.db2.gz PCECEGGAGHGNBN-MEBBXXQBSA-N 1 2 235.349 0.102 20 0 BCADLO CCN(CCC(=O)OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000822947917 587194860 /nfs/dbraw/zinc/19/48/60/587194860.db2.gz GTYWZJHJBQVNSG-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000823070098 587200935 /nfs/dbraw/zinc/20/09/35/587200935.db2.gz YUIBMGAGTXIQQQ-ZETCQYMHSA-N 1 2 237.215 0.893 20 0 BCADLO CCCCC[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000823089436 587201859 /nfs/dbraw/zinc/20/18/59/587201859.db2.gz ZHNCMBKRKCSKJC-SNVBAGLBSA-N 1 2 239.319 0.978 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CCS(=O)(=O)CC ZINC000823200205 587208315 /nfs/dbraw/zinc/20/83/15/587208315.db2.gz RSNKMICSMUXKBD-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CCS(=O)(=O)CC ZINC000823200205 587208316 /nfs/dbraw/zinc/20/83/16/587208316.db2.gz RSNKMICSMUXKBD-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)CC ZINC000823200205 587208317 /nfs/dbraw/zinc/20/83/17/587208317.db2.gz RSNKMICSMUXKBD-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)CC ZINC000823200205 587208318 /nfs/dbraw/zinc/20/83/18/587208318.db2.gz RSNKMICSMUXKBD-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC(C)(CO)ONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823303228 587214992 /nfs/dbraw/zinc/21/49/92/587214992.db2.gz XYBUHSJVVBGFQI-HTQZYQBOSA-N 1 2 239.275 0.332 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469204 587224433 /nfs/dbraw/zinc/22/44/33/587224433.db2.gz RGKZJTRIBXLVGH-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469204 587224434 /nfs/dbraw/zinc/22/44/34/587224434.db2.gz RGKZJTRIBXLVGH-JTQLQIEISA-N 1 2 248.290 0.807 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475898 587224934 /nfs/dbraw/zinc/22/49/34/587224934.db2.gz MZZXPWMSJXNCBQ-ZJUUUORDSA-N 1 2 236.275 0.231 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475898 587224936 /nfs/dbraw/zinc/22/49/36/587224936.db2.gz MZZXPWMSJXNCBQ-ZJUUUORDSA-N 1 2 236.275 0.231 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC2OCCCO2)C1 ZINC000823492632 587226965 /nfs/dbraw/zinc/22/69/65/587226965.db2.gz RCCOZGCXBGNRRA-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC2OCCCO2)C1 ZINC000823492632 587226967 /nfs/dbraw/zinc/22/69/67/587226967.db2.gz RCCOZGCXBGNRRA-UHFFFAOYSA-N 1 2 242.319 0.651 20 0 BCADLO CCC[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823633899 587233866 /nfs/dbraw/zinc/23/38/66/587233866.db2.gz DFGGBKNCCCTMPF-ONGXEEELSA-N 1 2 237.303 0.475 20 0 BCADLO CON(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000823794006 587240567 /nfs/dbraw/zinc/24/05/67/587240567.db2.gz WGFGKCDTWSYFHC-ZETCQYMHSA-N 1 2 212.253 0.684 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H](CO)CCF)c1 ZINC000824052890 587252281 /nfs/dbraw/zinc/25/22/81/587252281.db2.gz LXAXDXHJPAQOLP-PBKGFPTLSA-N 1 2 241.266 0.270 20 0 BCADLO C[C@H](CCO)N(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824096340 587255183 /nfs/dbraw/zinc/25/51/83/587255183.db2.gz LHMFKMFWSWHGRF-UMCURTJPSA-N 1 2 237.303 0.663 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824096338 587255296 /nfs/dbraw/zinc/25/52/96/587255296.db2.gz LHMFKMFWSWHGRF-LWTINBJPSA-N 1 2 237.303 0.663 20 0 BCADLO O=C(CC1(O)CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000824116587 587256584 /nfs/dbraw/zinc/25/65/84/587256584.db2.gz LYBYLLWECCPSGP-SNVBAGLBSA-N 1 2 249.314 0.619 20 0 BCADLO CONC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000824357412 587267303 /nfs/dbraw/zinc/26/73/03/587267303.db2.gz NKPFQLBJCCRQAA-LBPRGKRZSA-N 1 2 220.272 0.595 20 0 BCADLO CCONC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000824356751 587267444 /nfs/dbraw/zinc/26/74/44/587267444.db2.gz GWMMISVQUAWKAQ-CYBMUJFWSA-N 1 2 234.299 0.985 20 0 BCADLO C[C@@H](O)CN(C(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000824384377 587268529 /nfs/dbraw/zinc/26/85/29/587268529.db2.gz RUGPBXYDFPVFSM-XICOKMJESA-N 1 2 249.314 0.805 20 0 BCADLO CON(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824451029 587271064 /nfs/dbraw/zinc/27/10/64/587271064.db2.gz FRHOSWFGDOHVNU-UHFFFAOYSA-N 1 2 248.286 0.786 20 0 BCADLO CON(C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000824531191 587273971 /nfs/dbraw/zinc/27/39/71/587273971.db2.gz LRVHJSYPEHYNST-UHFFFAOYSA-N 1 2 226.280 0.331 20 0 BCADLO CCN(CC(=O)NC)Cc1c[nH+]c2n1CCC2 ZINC000824561175 587274129 /nfs/dbraw/zinc/27/41/29/587274129.db2.gz ROQPCOCSVYPTCS-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO C[C@@H](C[NH2+]C1CCN(C(=O)[O-])CC1)[NH+](C)C ZINC000824973147 587295814 /nfs/dbraw/zinc/29/58/14/587295814.db2.gz DPANUQJJXYXDBM-VIFPVBQESA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC000824972887 587295790 /nfs/dbraw/zinc/29/57/90/587295790.db2.gz AROATDCQMAKPOS-ZJUUUORDSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC000824972887 587295791 /nfs/dbraw/zinc/29/57/91/587295791.db2.gz AROATDCQMAKPOS-ZJUUUORDSA-N 1 2 241.335 0.811 20 0 BCADLO CC[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000824977112 587296456 /nfs/dbraw/zinc/29/64/56/587296456.db2.gz SZOMLXYBKBHBFR-LLVKDONJSA-N 1 2 239.275 0.410 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)CCO1 ZINC000824985319 587297241 /nfs/dbraw/zinc/29/72/41/587297241.db2.gz VGKLMOPYKGJJGR-QMMMGPOBSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CCO1 ZINC000824985319 587297243 /nfs/dbraw/zinc/29/72/43/587297243.db2.gz VGKLMOPYKGJJGR-QMMMGPOBSA-N 1 2 249.274 0.680 20 0 BCADLO C[C@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1(CO)CC1 ZINC000825009417 587298536 /nfs/dbraw/zinc/29/85/36/587298536.db2.gz IFRWQANDDGELNF-XOULXFPDSA-N 1 2 249.314 0.711 20 0 BCADLO COC[C@@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000825294640 587313269 /nfs/dbraw/zinc/31/32/69/587313269.db2.gz VGDXEXLLPLFTPC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000825294640 587313271 /nfs/dbraw/zinc/31/32/71/587313271.db2.gz VGDXEXLLPLFTPC-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C)CC=CC1 ZINC000825527449 587323296 /nfs/dbraw/zinc/32/32/96/587323296.db2.gz OODAVHYMCMDKDV-SNVBAGLBSA-N 1 2 249.314 0.926 20 0 BCADLO CC[C@@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CO1 ZINC000825543581 587324401 /nfs/dbraw/zinc/32/44/01/587324401.db2.gz YWOQTBZXYVKDMF-DTWKUNHWSA-N 1 2 240.307 0.793 20 0 BCADLO COCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825640804 587328647 /nfs/dbraw/zinc/32/86/47/587328647.db2.gz GYUGZYBZCZCSIR-UHFFFAOYSA-N 1 2 211.265 0.493 20 0 BCADLO C[C@H]1C[C@H]([NH+](C)CCNC(=O)[O-])CC[N@@H+]1C ZINC000825790137 587339482 /nfs/dbraw/zinc/33/94/82/587339482.db2.gz TXXZDYNFZZWHMY-VHSXEESVSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@H]([NH+](C)CCNC(=O)[O-])CC[N@H+]1C ZINC000825790137 587339485 /nfs/dbraw/zinc/33/94/85/587339485.db2.gz TXXZDYNFZZWHMY-VHSXEESVSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@H]([N@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790137 587339486 /nfs/dbraw/zinc/33/94/86/587339486.db2.gz TXXZDYNFZZWHMY-VHSXEESVSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1C[C@H]([N@@H+](C)CCNC(=O)[O-])CC[NH+]1C ZINC000825790137 587339488 /nfs/dbraw/zinc/33/94/88/587339488.db2.gz TXXZDYNFZZWHMY-VHSXEESVSA-N 1 2 229.324 0.669 20 0 BCADLO C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000825931816 587345943 /nfs/dbraw/zinc/34/59/43/587345943.db2.gz NIPFFKQKIGLKMW-WDEREUQCSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000825931816 587345944 /nfs/dbraw/zinc/34/59/44/587345944.db2.gz NIPFFKQKIGLKMW-WDEREUQCSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951202 587346963 /nfs/dbraw/zinc/34/69/63/587346963.db2.gz TYFMJRJFKWDQEB-QWRGUYRKSA-N 1 2 241.335 0.670 20 0 BCADLO C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951202 587346964 /nfs/dbraw/zinc/34/69/64/587346964.db2.gz TYFMJRJFKWDQEB-QWRGUYRKSA-N 1 2 241.335 0.670 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)[O-])C1 ZINC000826047894 587349220 /nfs/dbraw/zinc/34/92/20/587349220.db2.gz GKGZXKPVOLZNAT-MXWKQRLJSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)[O-])C1 ZINC000826047894 587349221 /nfs/dbraw/zinc/34/92/21/587349221.db2.gz GKGZXKPVOLZNAT-MXWKQRLJSA-N 1 2 241.335 0.669 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048378 587349604 /nfs/dbraw/zinc/34/96/04/587349604.db2.gz HSKLRHPMLIIJJO-DTWKUNHWSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNC(=O)[O-] ZINC000826048378 587349605 /nfs/dbraw/zinc/34/96/05/587349605.db2.gz HSKLRHPMLIIJJO-DTWKUNHWSA-N 1 2 215.297 0.184 20 0 BCADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050471 587349689 /nfs/dbraw/zinc/34/96/89/587349689.db2.gz XMUJVPOIBCSBRL-IUCAKERBSA-N 1 2 215.297 0.136 20 0 BCADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C)C(=O)[O-] ZINC000826050471 587349690 /nfs/dbraw/zinc/34/96/90/587349690.db2.gz XMUJVPOIBCSBRL-IUCAKERBSA-N 1 2 215.297 0.136 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(NCC[C@@H](C)O)[nH+]1 ZINC000826275534 587351452 /nfs/dbraw/zinc/35/14/52/587351452.db2.gz CGQRDWMRVHAPRQ-MRVPVSSYSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1cc[nH+]c(NC[C@@H](C)O)c1-c1nn[nH]n1 ZINC000826312510 587352129 /nfs/dbraw/zinc/35/21/29/587352129.db2.gz GJYRQTNYAFOHAZ-SSDOTTSWSA-N 1 2 234.263 0.363 20 0 BCADLO CC(C)[C@H](NC=O)C(=O)OCCn1cc[nH+]c1 ZINC000860381841 589097228 /nfs/dbraw/zinc/09/72/28/589097228.db2.gz XZYKJCYMKLYMEL-JTQLQIEISA-N 1 2 239.275 0.197 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000826660363 587358074 /nfs/dbraw/zinc/35/80/74/587358074.db2.gz SRPKJJOMCYOHMS-IPZBULGPSA-N 1 2 221.260 0.073 20 0 BCADLO C[C@@H](O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826704017 587359587 /nfs/dbraw/zinc/35/95/87/587359587.db2.gz OWWLLUJZTIMXLN-BXKDBHETSA-N 1 2 234.299 0.670 20 0 BCADLO C[C@@H](O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826704017 587359588 /nfs/dbraw/zinc/35/95/88/587359588.db2.gz OWWLLUJZTIMXLN-BXKDBHETSA-N 1 2 234.299 0.670 20 0 BCADLO CC1=NO[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000826766121 587361582 /nfs/dbraw/zinc/36/15/82/587361582.db2.gz KJXDFDPBQBOJAK-JTQLQIEISA-N 1 2 219.244 0.915 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H](O)C1CC1 ZINC000826765924 587361660 /nfs/dbraw/zinc/36/16/60/587361660.db2.gz IKXKUUGZRKDJFC-SNVBAGLBSA-N 1 2 206.245 0.521 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000827051748 587369022 /nfs/dbraw/zinc/36/90/22/587369022.db2.gz MMZLKWRJPXUQPH-YHJVAAGRSA-N 1 2 217.272 0.912 20 0 BCADLO COCC[N@H+](CCF)Cc1cncnc1 ZINC000827054624 587369133 /nfs/dbraw/zinc/36/91/33/587369133.db2.gz UWUMWMYRSCWCBX-UHFFFAOYSA-N 1 2 213.256 0.895 20 0 BCADLO COCC[N@@H+](CCF)Cc1cncnc1 ZINC000827054624 587369134 /nfs/dbraw/zinc/36/91/34/587369134.db2.gz UWUMWMYRSCWCBX-UHFFFAOYSA-N 1 2 213.256 0.895 20 0 BCADLO CN(CC1(C)COC1)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827174147 587372116 /nfs/dbraw/zinc/37/21/16/587372116.db2.gz VERPLRZRVNXORU-PLNGDYQASA-N 1 2 249.314 0.928 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000827223635 587373292 /nfs/dbraw/zinc/37/32/92/587373292.db2.gz JIXTYFXOTASUJS-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO CN(CCn1cccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827229991 587373510 /nfs/dbraw/zinc/37/35/10/587373510.db2.gz QCMMRZCAVSKERB-UHFFFAOYSA-N 1 2 233.275 0.307 20 0 BCADLO CN1CC[N@H+](Cc2ccc(F)nc2)CCC1=O ZINC000827358656 587378213 /nfs/dbraw/zinc/37/82/13/587378213.db2.gz DDOFFKIZZQBIDL-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(F)nc2)CCC1=O ZINC000827358656 587378214 /nfs/dbraw/zinc/37/82/14/587378214.db2.gz DDOFFKIZZQBIDL-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO COC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000827400646 587379988 /nfs/dbraw/zinc/37/99/88/587379988.db2.gz DLNIHWWAXOEXOJ-NXEZZACHSA-N 1 2 235.287 0.381 20 0 BCADLO COc1cc(C(=O)NCc2[nH]cc(C)[nH+]2)ncn1 ZINC000827582450 587389752 /nfs/dbraw/zinc/38/97/52/587389752.db2.gz LLLOSQMVKJSPQS-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO COc1nccc(C(=O)NCc2[nH]cc(C)[nH+]2)n1 ZINC000827582654 587390549 /nfs/dbraw/zinc/39/05/49/587390549.db2.gz SSLIZWRHLSKTLY-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000827707374 587397902 /nfs/dbraw/zinc/39/79/02/587397902.db2.gz GUBKUDVZMBDTFM-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CCNC(=O)C1 ZINC000827707374 587397903 /nfs/dbraw/zinc/39/79/03/587397903.db2.gz GUBKUDVZMBDTFM-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO CO[C@H]1C[C@@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827715820 587399026 /nfs/dbraw/zinc/39/90/26/587399026.db2.gz MMQHLGRKHAOUEW-RCPVXLAGSA-N 1 2 249.314 0.975 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000827837859 587405180 /nfs/dbraw/zinc/40/51/80/587405180.db2.gz MVDBKRRYQNNYJC-LLVKDONJSA-N 1 2 242.319 0.178 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000827837859 587405182 /nfs/dbraw/zinc/40/51/82/587405182.db2.gz MVDBKRRYQNNYJC-LLVKDONJSA-N 1 2 242.319 0.178 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCN(C=O)CC2)cn1 ZINC000827877562 587406783 /nfs/dbraw/zinc/40/67/83/587406783.db2.gz PLLZYGHYYPTAIO-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1ncc(C[N@H+]2CCCN(C=O)CC2)cn1 ZINC000827877562 587406785 /nfs/dbraw/zinc/40/67/85/587406785.db2.gz PLLZYGHYYPTAIO-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO CCn1cc(C[N@H+](C)CC[S@@](C)=O)cn1 ZINC000827925076 587410680 /nfs/dbraw/zinc/41/06/80/587410680.db2.gz OJFCIGWGLBKKCU-OAHLLOKOSA-N 1 2 229.349 0.713 20 0 BCADLO CCn1cc(C[N@@H+](C)CC[S@@](C)=O)cn1 ZINC000827925076 587410681 /nfs/dbraw/zinc/41/06/81/587410681.db2.gz OJFCIGWGLBKKCU-OAHLLOKOSA-N 1 2 229.349 0.713 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CCC3)C[C@@H]1CO ZINC000827983761 587415241 /nfs/dbraw/zinc/41/52/41/587415241.db2.gz TZJCSKFZWWFIJK-NQBHXWOUSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CCC3)C[C@@H]1CO ZINC000827983761 587415242 /nfs/dbraw/zinc/41/52/42/587415242.db2.gz TZJCSKFZWWFIJK-NQBHXWOUSA-N 1 2 238.331 0.312 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000827990444 587415497 /nfs/dbraw/zinc/41/54/97/587415497.db2.gz KKNVCONYKOYLJT-MMPTUQATSA-N 1 2 247.360 0.245 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000827990444 587415498 /nfs/dbraw/zinc/41/54/98/587415498.db2.gz KKNVCONYKOYLJT-MMPTUQATSA-N 1 2 247.360 0.245 20 0 BCADLO C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000827993221 587415675 /nfs/dbraw/zinc/41/56/75/587415675.db2.gz BOPWWIPEZRFSMJ-SECBINFHSA-N 1 2 229.324 0.669 20 0 BCADLO CC[N@@H+]1CCN(CC[S@](C)=O)C[C@H]1C ZINC000828094639 587417710 /nfs/dbraw/zinc/41/77/10/587417710.db2.gz XUMPIKLBNFEYFN-YGRLFVJLSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@](C)=O)C[C@H]1C ZINC000828094639 587417711 /nfs/dbraw/zinc/41/77/11/587417711.db2.gz XUMPIKLBNFEYFN-YGRLFVJLSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@@H+]1CCN(CC[S@@](C)=O)C[C@@H]1C ZINC000828094637 587419044 /nfs/dbraw/zinc/41/90/44/587419044.db2.gz XUMPIKLBNFEYFN-IINYFYTJSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@@](C)=O)C[C@@H]1C ZINC000828094637 587419045 /nfs/dbraw/zinc/41/90/45/587419045.db2.gz XUMPIKLBNFEYFN-IINYFYTJSA-N 1 2 218.366 0.391 20 0 BCADLO COC(=O)[C@](C)([NH2+]CC[S@@](C)=O)C1CC1 ZINC000828121221 587419972 /nfs/dbraw/zinc/41/99/72/587419972.db2.gz ARBZVYHDFQKGQT-MEBBXXQBSA-N 1 2 233.333 0.296 20 0 BCADLO CCCONC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000828312382 587434027 /nfs/dbraw/zinc/43/40/27/587434027.db2.gz ATAHDDOQKPKLNI-VIFPVBQESA-N 1 2 238.291 0.839 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC[S@](C)=O ZINC000828322522 587434775 /nfs/dbraw/zinc/43/47/75/587434775.db2.gz DJBNOQSLSJZDLR-BONVTDFDSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC[S@](C)=O ZINC000828322522 587434776 /nfs/dbraw/zinc/43/47/76/587434776.db2.gz DJBNOQSLSJZDLR-BONVTDFDSA-N 1 2 233.333 0.392 20 0 BCADLO COC[C@@H]1C[N@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000828389355 587439336 /nfs/dbraw/zinc/43/93/36/587439336.db2.gz IOMQSLNEWGKEMI-YHAQOWFVSA-N 1 2 235.349 0.101 20 0 BCADLO COC[C@@H]1C[N@@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000828389355 587439337 /nfs/dbraw/zinc/43/93/37/587439337.db2.gz IOMQSLNEWGKEMI-YHAQOWFVSA-N 1 2 235.349 0.101 20 0 BCADLO C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828470233 587444470 /nfs/dbraw/zinc/44/44/70/587444470.db2.gz BFIYYYIGZAFPPK-SNVBAGLBSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)[O-])CC2)C1 ZINC000828470233 587444471 /nfs/dbraw/zinc/44/44/71/587444471.db2.gz BFIYYYIGZAFPPK-SNVBAGLBSA-N 1 2 227.308 0.423 20 0 BCADLO CC[N@@H+]1CCN(CC[S@@](C)=O)[C@H](C)C1 ZINC000828525524 587447638 /nfs/dbraw/zinc/44/76/38/587447638.db2.gz UDZDLSLNEFZMPX-QMTHXVAHSA-N 1 2 218.366 0.391 20 0 BCADLO CC[N@H+]1CCN(CC[S@@](C)=O)[C@H](C)C1 ZINC000828525524 587447639 /nfs/dbraw/zinc/44/76/39/587447639.db2.gz UDZDLSLNEFZMPX-QMTHXVAHSA-N 1 2 218.366 0.391 20 0 BCADLO C[C@@H]1CN(Cc2cnns2)CC[N@@H+]1C ZINC000828528993 587448179 /nfs/dbraw/zinc/44/81/79/587448179.db2.gz DYEPKCLZVDPFFA-MRVPVSSYSA-N 1 2 212.322 0.674 20 0 BCADLO C[C@@H]1CN(Cc2cnns2)CC[N@H+]1C ZINC000828528993 587448180 /nfs/dbraw/zinc/44/81/80/587448180.db2.gz DYEPKCLZVDPFFA-MRVPVSSYSA-N 1 2 212.322 0.674 20 0 BCADLO C[N@H+](CC[S@](C)=O)Cc1ccccn1 ZINC000828587488 587452188 /nfs/dbraw/zinc/45/21/88/587452188.db2.gz KRQWRJLKSSJFCE-AWEZNQCLSA-N 1 2 212.318 0.892 20 0 BCADLO C[N@@H+](CC[S@](C)=O)Cc1ccccn1 ZINC000828587488 587452189 /nfs/dbraw/zinc/45/21/89/587452189.db2.gz KRQWRJLKSSJFCE-AWEZNQCLSA-N 1 2 212.318 0.892 20 0 BCADLO Cn1cc(C(C)(C)NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000828662034 587455874 /nfs/dbraw/zinc/45/58/74/587455874.db2.gz WABOKAFQUUPUSN-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000828736527 587459314 /nfs/dbraw/zinc/45/93/14/587459314.db2.gz HDQJROVTUKVTDW-QMTHXVAHSA-N 1 2 219.350 0.722 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000828736527 587459315 /nfs/dbraw/zinc/45/93/15/587459315.db2.gz HDQJROVTUKVTDW-QMTHXVAHSA-N 1 2 219.350 0.722 20 0 BCADLO FC1(F)C[C@H]2C[N@H+](CC3OCCO3)CCN2C1 ZINC000828766890 587461320 /nfs/dbraw/zinc/46/13/20/587461320.db2.gz MMFCTUHWWGLZQD-VIFPVBQESA-N 1 2 248.273 0.385 20 0 BCADLO FC1(F)C[C@H]2C[N@@H+](CC3OCCO3)CCN2C1 ZINC000828766890 587461323 /nfs/dbraw/zinc/46/13/23/587461323.db2.gz MMFCTUHWWGLZQD-VIFPVBQESA-N 1 2 248.273 0.385 20 0 BCADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828805933 587463009 /nfs/dbraw/zinc/46/30/09/587463009.db2.gz IYJDQECBPDCJPR-SKDRFNHKSA-N 1 2 239.319 0.866 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000828833786 587465622 /nfs/dbraw/zinc/46/56/22/587465622.db2.gz KVVKGZNNHOVKLW-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO CCOC(=O)C[N@H+](CC[S@](C)=O)C1CCC1 ZINC000828902570 587470636 /nfs/dbraw/zinc/47/06/36/587470636.db2.gz ALZAVRNEXDZPLJ-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)C[N@@H+](CC[S@](C)=O)C1CCC1 ZINC000828902570 587470638 /nfs/dbraw/zinc/47/06/38/587470638.db2.gz ALZAVRNEXDZPLJ-INIZCTEOSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)C[N@H+](CC[S@@](C)=O)C1CCC1 ZINC000828902571 587470645 /nfs/dbraw/zinc/47/06/45/587470645.db2.gz ALZAVRNEXDZPLJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)C[N@@H+](CC[S@@](C)=O)C1CCC1 ZINC000828902571 587470647 /nfs/dbraw/zinc/47/06/47/587470647.db2.gz ALZAVRNEXDZPLJ-MRXNPFEDSA-N 1 2 247.360 0.783 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1ccnn1C ZINC000828914706 587471638 /nfs/dbraw/zinc/47/16/38/587471638.db2.gz LATIDYSMMXWQBM-VIFPVBQESA-N 1 2 247.302 0.872 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)c1ccnn1C ZINC000828914706 587471639 /nfs/dbraw/zinc/47/16/39/587471639.db2.gz LATIDYSMMXWQBM-VIFPVBQESA-N 1 2 247.302 0.872 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccnn1C ZINC000828922111 587472555 /nfs/dbraw/zinc/47/25/55/587472555.db2.gz PBUPCRNBQKIOBT-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccnn1C ZINC000828922111 587472556 /nfs/dbraw/zinc/47/25/56/587472556.db2.gz PBUPCRNBQKIOBT-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC[S@@](C)=O ZINC000828952578 587475068 /nfs/dbraw/zinc/47/50/68/587475068.db2.gz AXDOAPWOQLBVBR-KCWFYHRYSA-N 1 2 247.360 0.638 20 0 BCADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC[S@@](C)=O ZINC000828952578 587475069 /nfs/dbraw/zinc/47/50/69/587475069.db2.gz AXDOAPWOQLBVBR-KCWFYHRYSA-N 1 2 247.360 0.638 20 0 BCADLO C[C@H](O)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829071083 587481890 /nfs/dbraw/zinc/48/18/90/587481890.db2.gz TXNXIHWBQRVEAQ-QMMMGPOBSA-N 1 2 235.287 0.554 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000829107308 587482778 /nfs/dbraw/zinc/48/27/78/587482778.db2.gz PERFREDNYQYQBX-ZBEGNZNMSA-N 1 2 246.376 0.356 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000829107308 587482779 /nfs/dbraw/zinc/48/27/79/587482779.db2.gz PERFREDNYQYQBX-ZBEGNZNMSA-N 1 2 246.376 0.356 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000829107694 587482968 /nfs/dbraw/zinc/48/29/68/587482968.db2.gz RONQPKQZIZBEDY-MGPLVRAMSA-N 1 2 246.376 0.211 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000829107694 587482969 /nfs/dbraw/zinc/48/29/69/587482969.db2.gz RONQPKQZIZBEDY-MGPLVRAMSA-N 1 2 246.376 0.211 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000829107304 587483066 /nfs/dbraw/zinc/48/30/66/587483066.db2.gz PERFREDNYQYQBX-BDJLRTHQSA-N 1 2 246.376 0.356 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000829107304 587483067 /nfs/dbraw/zinc/48/30/67/587483067.db2.gz PERFREDNYQYQBX-BDJLRTHQSA-N 1 2 246.376 0.356 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829241915 587489945 /nfs/dbraw/zinc/48/99/45/587489945.db2.gz GMMRCHFRLIGYRA-ZUZCIYMTSA-N 1 2 249.401 0.573 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829241915 587489946 /nfs/dbraw/zinc/48/99/46/587489946.db2.gz GMMRCHFRLIGYRA-ZUZCIYMTSA-N 1 2 249.401 0.573 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000829392652 587495359 /nfs/dbraw/zinc/49/53/59/587495359.db2.gz AOYMJABYLCSPSO-DTORHVGOSA-N 1 2 221.260 0.342 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C=O)c1 ZINC000829450134 587498117 /nfs/dbraw/zinc/49/81/17/587498117.db2.gz MXKLZAQFRWYUSG-JTQLQIEISA-N 1 2 236.271 0.916 20 0 BCADLO CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C=O)c1 ZINC000829450134 587498118 /nfs/dbraw/zinc/49/81/18/587498118.db2.gz MXKLZAQFRWYUSG-JTQLQIEISA-N 1 2 236.271 0.916 20 0 BCADLO CO[C@@H](C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829451721 587498505 /nfs/dbraw/zinc/49/85/05/587498505.db2.gz PJBPYRMKSIFSLZ-QMMMGPOBSA-N 1 2 238.291 0.302 20 0 BCADLO CO[C@@H](C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829451721 587498506 /nfs/dbraw/zinc/49/85/06/587498506.db2.gz PJBPYRMKSIFSLZ-QMMMGPOBSA-N 1 2 238.291 0.302 20 0 BCADLO COCCONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000829682316 587509475 /nfs/dbraw/zinc/50/94/75/587509475.db2.gz CKLPCPSHZREJTL-MRVPVSSYSA-N 1 2 239.275 0.209 20 0 BCADLO COCCONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000829682316 587509477 /nfs/dbraw/zinc/50/94/77/587509477.db2.gz CKLPCPSHZREJTL-MRVPVSSYSA-N 1 2 239.275 0.209 20 0 BCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830122421 587537654 /nfs/dbraw/zinc/53/76/54/587537654.db2.gz XBZJPFXBPKVVCQ-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1C=O ZINC000830134920 587538073 /nfs/dbraw/zinc/53/80/73/587538073.db2.gz INVLHSORVGULFS-JTQLQIEISA-N 1 2 235.287 0.272 20 0 BCADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1C=O ZINC000830134920 587538074 /nfs/dbraw/zinc/53/80/74/587538074.db2.gz INVLHSORVGULFS-JTQLQIEISA-N 1 2 235.287 0.272 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1coc(C=O)c1 ZINC000830134043 587538150 /nfs/dbraw/zinc/53/81/50/587538150.db2.gz AIONEHRTJZPGLW-VIFPVBQESA-N 1 2 222.244 0.526 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1coc(C=O)c1 ZINC000830134043 587538152 /nfs/dbraw/zinc/53/81/52/587538152.db2.gz AIONEHRTJZPGLW-VIFPVBQESA-N 1 2 222.244 0.526 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+](C1CC1)C1COC1 ZINC000830231410 587542809 /nfs/dbraw/zinc/54/28/09/587542809.db2.gz ADVVGQLRYRHZIT-UITAMQMPSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+](C1CC1)C1COC1 ZINC000830231410 587542810 /nfs/dbraw/zinc/54/28/10/587542810.db2.gz ADVVGQLRYRHZIT-UITAMQMPSA-N 1 2 225.288 0.969 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830239987 587543769 /nfs/dbraw/zinc/54/37/69/587543769.db2.gz DUEKOOGXQCRZHF-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830239987 587543770 /nfs/dbraw/zinc/54/37/70/587543770.db2.gz DUEKOOGXQCRZHF-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO COCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830400775 587550348 /nfs/dbraw/zinc/55/03/48/587550348.db2.gz BAEDJCFUVOEEHI-UHFFFAOYSA-N 1 2 209.249 0.247 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)[C@@H]1SC ZINC000830428802 587551339 /nfs/dbraw/zinc/55/13/39/587551339.db2.gz OEMQMQQLMUSMQN-JLIMGVALSA-N 1 2 245.344 0.801 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000830623465 587561063 /nfs/dbraw/zinc/56/10/63/587561063.db2.gz RVDJVXUCFLDXNS-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000830623465 587561064 /nfs/dbraw/zinc/56/10/64/587561064.db2.gz RVDJVXUCFLDXNS-ZJUUUORDSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC2(CCC2)O1 ZINC000830702579 587564107 /nfs/dbraw/zinc/56/41/07/587564107.db2.gz ASZIODVQFRFHSU-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC2(CCC2)O1 ZINC000830702579 587564108 /nfs/dbraw/zinc/56/41/08/587564108.db2.gz ASZIODVQFRFHSU-SNVBAGLBSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C2(F)CC2)CCO1 ZINC000830755457 587567583 /nfs/dbraw/zinc/56/75/83/587567583.db2.gz MUUAXEASIKZPND-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C2(F)CC2)CCO1 ZINC000830755457 587567585 /nfs/dbraw/zinc/56/75/85/587567585.db2.gz MUUAXEASIKZPND-VIFPVBQESA-N 1 2 231.267 0.752 20 0 BCADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(F)CC1 ZINC000830758463 587567982 /nfs/dbraw/zinc/56/79/82/587567982.db2.gz GLRPKLWHWDCQEY-AOOOYVTPSA-N 1 2 243.278 0.895 20 0 BCADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(F)CC1 ZINC000830758463 587567984 /nfs/dbraw/zinc/56/79/84/587567984.db2.gz GLRPKLWHWDCQEY-AOOOYVTPSA-N 1 2 243.278 0.895 20 0 BCADLO COc1ccnc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000830906914 587576958 /nfs/dbraw/zinc/57/69/58/587576958.db2.gz OGIUOQZZOHPDKL-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO O=C1N[C@@H]2C[N@H+](Cc3cc[nH]n3)CC[C@H]2CO1 ZINC000830905374 587577196 /nfs/dbraw/zinc/57/71/96/587577196.db2.gz IDKKEVMLQMRFBC-WCBMZHEXSA-N 1 2 236.275 0.340 20 0 BCADLO O=C1N[C@@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@H]2CO1 ZINC000830905374 587577197 /nfs/dbraw/zinc/57/71/97/587577197.db2.gz IDKKEVMLQMRFBC-WCBMZHEXSA-N 1 2 236.275 0.340 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000831215144 587592229 /nfs/dbraw/zinc/59/22/29/587592229.db2.gz BNRLJMPPAYZNJN-QMMMGPOBSA-N 1 2 225.317 0.916 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cc1[nH]c[nH+]c1C ZINC000831311405 587597950 /nfs/dbraw/zinc/59/79/50/587597950.db2.gz OCJMYIKTYCLUIP-WCBMZHEXSA-N 1 2 239.319 0.926 20 0 BCADLO CC[C@H](C[C@H](C)O)NC(=O)Cc1[nH+]c[nH]c1C ZINC000831311405 587597951 /nfs/dbraw/zinc/59/79/51/587597951.db2.gz OCJMYIKTYCLUIP-WCBMZHEXSA-N 1 2 239.319 0.926 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000831582601 587620701 /nfs/dbraw/zinc/62/07/01/587620701.db2.gz ZPTMBHQCAFTMAB-CABZTGNLSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000831582601 587620703 /nfs/dbraw/zinc/62/07/03/587620703.db2.gz ZPTMBHQCAFTMAB-CABZTGNLSA-N 1 2 249.314 0.402 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)C1CC1 ZINC000831580458 587620743 /nfs/dbraw/zinc/62/07/43/587620743.db2.gz AVEAQDNBJBUXFM-MXWKQRLJSA-N 1 2 249.314 0.411 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CC1CC1 ZINC000831581309 587620832 /nfs/dbraw/zinc/62/08/32/587620832.db2.gz LMRUACASSRAZSO-VIFPVBQESA-N 1 2 223.276 0.229 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000831582600 587621042 /nfs/dbraw/zinc/62/10/42/587621042.db2.gz ZPTMBHQCAFTMAB-BXKDBHETSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000831582600 587621044 /nfs/dbraw/zinc/62/10/44/587621044.db2.gz ZPTMBHQCAFTMAB-BXKDBHETSA-N 1 2 249.314 0.402 20 0 BCADLO CC(C)(O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831588132 587621255 /nfs/dbraw/zinc/62/12/55/587621255.db2.gz SFURVUORXOSADJ-UHFFFAOYSA-N 1 2 225.292 0.618 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831697383 587627894 /nfs/dbraw/zinc/62/78/94/587627894.db2.gz KFEDPMVWWPKKBV-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000831763404 587630779 /nfs/dbraw/zinc/63/07/79/587630779.db2.gz MNKFZBRDLGJEID-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000831763404 587630780 /nfs/dbraw/zinc/63/07/80/587630780.db2.gz MNKFZBRDLGJEID-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO CC(C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000831806440 587632903 /nfs/dbraw/zinc/63/29/03/587632903.db2.gz JSEAWCDYZKRYPK-JTQLQIEISA-N 1 2 237.303 0.836 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000831947037 587637859 /nfs/dbraw/zinc/63/78/59/587637859.db2.gz CTHQEOUPYDQOKE-UWVGGRQHSA-N 1 2 239.319 0.565 20 0 BCADLO O=C([O-])N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000831947037 587637861 /nfs/dbraw/zinc/63/78/61/587637861.db2.gz CTHQEOUPYDQOKE-UWVGGRQHSA-N 1 2 239.319 0.565 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC(C)=NO1)CC2 ZINC000831973323 587641486 /nfs/dbraw/zinc/64/14/86/587641486.db2.gz ZZDCBSLWIXTCTJ-JTQLQIEISA-N 1 2 248.286 0.699 20 0 BCADLO C[C@@H]1OCC[C@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832039899 587643715 /nfs/dbraw/zinc/64/37/15/587643715.db2.gz UIILLHLKZQECDZ-KWQFWETISA-N 1 2 223.276 0.636 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832564180 587666624 /nfs/dbraw/zinc/66/66/24/587666624.db2.gz UTBMYESVZNXZPZ-LLVKDONJSA-N 1 2 223.276 0.326 20 0 BCADLO O=C([O-])NCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000832616488 587669496 /nfs/dbraw/zinc/66/94/96/587669496.db2.gz FWNDMLIMLZHIOC-SECBINFHSA-N 1 2 227.308 0.470 20 0 BCADLO O=C([O-])NCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000832616488 587669499 /nfs/dbraw/zinc/66/94/99/587669499.db2.gz FWNDMLIMLZHIOC-SECBINFHSA-N 1 2 227.308 0.470 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000832667615 587676222 /nfs/dbraw/zinc/67/62/22/587676222.db2.gz LLLPANZIYXNIFX-SNVBAGLBSA-N 1 2 239.319 0.928 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000832667615 587676223 /nfs/dbraw/zinc/67/62/23/587676223.db2.gz LLLPANZIYXNIFX-SNVBAGLBSA-N 1 2 239.319 0.928 20 0 BCADLO CCC[C@H](O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832674386 587676705 /nfs/dbraw/zinc/67/67/05/587676705.db2.gz RCZWQUNWNLMVGR-VIFPVBQESA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000832694713 587677956 /nfs/dbraw/zinc/67/79/56/587677956.db2.gz GBDDSOJNGGCRNV-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO CCC[C@@H](O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000832694713 587677957 /nfs/dbraw/zinc/67/79/57/587677957.db2.gz GBDDSOJNGGCRNV-SNVBAGLBSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000832754181 587684270 /nfs/dbraw/zinc/68/42/70/587684270.db2.gz DUYOVSHGVPKEOE-GFCCVEGCSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000832754182 587684592 /nfs/dbraw/zinc/68/45/92/587684592.db2.gz DUYOVSHGVPKEOE-LBPRGKRZSA-N 1 2 237.303 0.980 20 0 BCADLO Cc1[nH+]c(C(=O)[O-])cn1Cc1c[nH+]cn1C ZINC000832996281 587696941 /nfs/dbraw/zinc/69/69/41/587696941.db2.gz PRXSJWLQYQKFTG-UHFFFAOYSA-N 1 2 220.232 0.672 20 0 BCADLO O=C([O-])N1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000834100528 587745040 /nfs/dbraw/zinc/74/50/40/587745040.db2.gz NMLNOAYEWRLOBH-NSHDSACASA-N 1 2 241.335 0.814 20 0 BCADLO C[C@H]1COC(C)(C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834393522 587754351 /nfs/dbraw/zinc/75/43/51/587754351.db2.gz SBJBJJIROXUISC-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO O=C(NC[C@H]1C[C@H](O)C1)c1cccc2[nH+]ccn21 ZINC000834762844 587766230 /nfs/dbraw/zinc/76/62/30/587766230.db2.gz JCOGLPQALQUEJU-MGCOHNPYSA-N 1 2 245.282 0.835 20 0 BCADLO CC(C)ONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000834936110 587771678 /nfs/dbraw/zinc/77/16/78/587771678.db2.gz RXPKJHOLYVAVKR-SNVBAGLBSA-N 1 2 245.323 0.346 20 0 BCADLO CC(C)ONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000834936109 587771716 /nfs/dbraw/zinc/77/17/16/587771716.db2.gz RXPKJHOLYVAVKR-JTQLQIEISA-N 1 2 245.323 0.346 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000867121012 587799527 /nfs/dbraw/zinc/79/95/27/587799527.db2.gz KBPIONXLEYQBQK-FXPVBKGRSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C(F)F ZINC000841455466 587955490 /nfs/dbraw/zinc/95/54/90/587955490.db2.gz UESCQUMEUSEXOS-HTQZYQBOSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C(F)F ZINC000841455466 587955491 /nfs/dbraw/zinc/95/54/91/587955491.db2.gz UESCQUMEUSEXOS-HTQZYQBOSA-N 1 2 236.262 0.165 20 0 BCADLO CO[C@@H]1CC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841680222 587971962 /nfs/dbraw/zinc/97/19/62/587971962.db2.gz DPTFTVURLVHDNQ-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO CO[C@@H]1CC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841680222 587971963 /nfs/dbraw/zinc/97/19/63/587971963.db2.gz DPTFTVURLVHDNQ-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO COC[C@@H]1CC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841685892 587971988 /nfs/dbraw/zinc/97/19/88/587971988.db2.gz XMEZUWBAFQBARG-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO COC[C@@H]1CC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841685892 587971989 /nfs/dbraw/zinc/97/19/89/587971989.db2.gz XMEZUWBAFQBARG-QMMMGPOBSA-N 1 2 234.246 0.532 20 0 BCADLO CC1(O)CC[NH+](CN2CC(F)(F)CC2=O)CC1 ZINC000841681475 587972378 /nfs/dbraw/zinc/97/23/78/587972378.db2.gz UGWLRCSGAFXDBL-UHFFFAOYSA-N 1 2 248.273 0.658 20 0 BCADLO CC[C@H](CO[NH+]=C(N)C(C)(C)NC(C)=O)OC ZINC000842030437 587991173 /nfs/dbraw/zinc/99/11/73/587991173.db2.gz XYKAOOVLNXMMCV-SECBINFHSA-N 1 2 245.323 0.825 20 0 BCADLO CC[C@H](CO[NH+]=C(N)[C@@H](C)OC)OC ZINC000842036301 587992160 /nfs/dbraw/zinc/99/21/60/587992160.db2.gz KZFVSRYYSAJHGI-HTQZYQBOSA-N 1 2 204.270 0.945 20 0 BCADLO CCc1nn(C[N@@H+]2CC[C@@H](C)C2)c(=O)n1CC ZINC000842597320 588044821 /nfs/dbraw/zinc/04/48/21/588044821.db2.gz TXQQAJKDJXMKDQ-SNVBAGLBSA-N 1 2 238.335 0.926 20 0 BCADLO CCc1nn(C[N@H+]2CC[C@@H](C)C2)c(=O)n1CC ZINC000842597320 588044824 /nfs/dbraw/zinc/04/48/24/588044824.db2.gz TXQQAJKDJXMKDQ-SNVBAGLBSA-N 1 2 238.335 0.926 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000842621140 588046479 /nfs/dbraw/zinc/04/64/79/588046479.db2.gz YBVNRKGCBOHLNC-SNVBAGLBSA-N 1 2 240.332 0.444 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000842621140 588046481 /nfs/dbraw/zinc/04/64/81/588046481.db2.gz YBVNRKGCBOHLNC-SNVBAGLBSA-N 1 2 240.332 0.444 20 0 BCADLO CO[C@@H](C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842654951 588050104 /nfs/dbraw/zinc/05/01/04/588050104.db2.gz AGLDCFQPJNBYKC-UWVGGRQHSA-N 1 2 246.307 0.715 20 0 BCADLO CCn1ccc(C(=O)OCc2c[nH+]cn2C)n1 ZINC000842725609 588055908 /nfs/dbraw/zinc/05/59/08/588055908.db2.gz DXLKQWHADHTQDX-UHFFFAOYSA-N 1 2 234.259 0.994 20 0 BCADLO CCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842962799 588073418 /nfs/dbraw/zinc/07/34/18/588073418.db2.gz HQPPUTZYWVJNEJ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842962799 588073420 /nfs/dbraw/zinc/07/34/20/588073420.db2.gz HQPPUTZYWVJNEJ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2C(=O)OC)n1 ZINC000843144884 588083197 /nfs/dbraw/zinc/08/31/97/588083197.db2.gz MYBBTBJWPTXOPI-RQJHMYQMSA-N 1 2 225.248 0.456 20 0 BCADLO O=C1N[C@@H]2C[N@H+](Cc3cocn3)CC[C@H]2CO1 ZINC000843434350 588109927 /nfs/dbraw/zinc/10/99/27/588109927.db2.gz VVOJHXIJGWJCJL-WCBMZHEXSA-N 1 2 237.259 0.605 20 0 BCADLO O=C1N[C@@H]2C[N@@H+](Cc3cocn3)CC[C@H]2CO1 ZINC000843434350 588109929 /nfs/dbraw/zinc/10/99/29/588109929.db2.gz VVOJHXIJGWJCJL-WCBMZHEXSA-N 1 2 237.259 0.605 20 0 BCADLO COC/C=C\C(=O)NCCc1c[nH+]cn1C ZINC000867332224 588134693 /nfs/dbraw/zinc/13/46/93/588134693.db2.gz OGXHQTGZUYWANR-ARJAWSKDSA-N 1 2 223.276 0.281 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782689 588139542 /nfs/dbraw/zinc/13/95/42/588139542.db2.gz QVZYWTNJWHMAAW-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2(F)CC2)CCO1 ZINC000843782689 588139543 /nfs/dbraw/zinc/13/95/43/588139543.db2.gz QVZYWTNJWHMAAW-VIFPVBQESA-N 1 2 230.283 0.325 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1(F)CC1 ZINC000843786436 588140083 /nfs/dbraw/zinc/14/00/83/588140083.db2.gz XDQOTBYZCOWMQM-UHFFFAOYSA-N 1 2 230.283 0.279 20 0 BCADLO C[C@H](NC(=O)C1(F)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000843791164 588140384 /nfs/dbraw/zinc/14/03/84/588140384.db2.gz OSKUDPBXQZYDPR-UWVGGRQHSA-N 1 2 244.310 0.714 20 0 BCADLO O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(F)CC1 ZINC000843821508 588142872 /nfs/dbraw/zinc/14/28/72/588142872.db2.gz BABIKBLUSRLLDQ-JTQLQIEISA-N 1 2 242.294 0.422 20 0 BCADLO O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(F)CC1 ZINC000843821509 588143087 /nfs/dbraw/zinc/14/30/87/588143087.db2.gz BABIKBLUSRLLDQ-SNVBAGLBSA-N 1 2 242.294 0.422 20 0 BCADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C1(F)CC1 ZINC000843903519 588149225 /nfs/dbraw/zinc/14/92/25/588149225.db2.gz MOUWGIISXKYGCB-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1(F)CC1 ZINC000843903519 588149226 /nfs/dbraw/zinc/14/92/26/588149226.db2.gz MOUWGIISXKYGCB-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO COCCONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844135717 588169554 /nfs/dbraw/zinc/16/95/54/588169554.db2.gz UQBZISBVQUZPSD-SECBINFHSA-N 1 2 239.275 0.140 20 0 BCADLO CC[C@@H]1C[N@H+](CC2OCCO2)[C@H](C)CO1 ZINC000844390135 588188668 /nfs/dbraw/zinc/18/86/68/588188668.db2.gz DECBDUKPPASRJM-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@@H+](CC2OCCO2)[C@H](C)CO1 ZINC000844390135 588188670 /nfs/dbraw/zinc/18/86/70/588188670.db2.gz DECBDUKPPASRJM-NXEZZACHSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)[C@@H](C)CO1 ZINC000844390558 588188896 /nfs/dbraw/zinc/18/88/96/588188896.db2.gz IEMHDMACKJLNRC-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)[C@@H](C)CO1 ZINC000844390558 588188897 /nfs/dbraw/zinc/18/88/97/588188897.db2.gz IEMHDMACKJLNRC-VHSXEESVSA-N 1 2 230.308 0.506 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844434420 588193320 /nfs/dbraw/zinc/19/33/20/588193320.db2.gz UHCLAHGAEGXLDN-YHAQOWFVSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844434420 588193321 /nfs/dbraw/zinc/19/33/21/588193321.db2.gz UHCLAHGAEGXLDN-YHAQOWFVSA-N 1 2 226.301 0.688 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449320 588195123 /nfs/dbraw/zinc/19/51/23/588195123.db2.gz GJWAUUJRSQCHRU-DTORHVGOSA-N 1 2 248.273 0.336 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449320 588195124 /nfs/dbraw/zinc/19/51/24/588195124.db2.gz GJWAUUJRSQCHRU-DTORHVGOSA-N 1 2 248.273 0.336 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@H](C)CCO)n1 ZINC000844451232 588195526 /nfs/dbraw/zinc/19/55/26/588195526.db2.gz RWJGORASKFBITP-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000844451232 588195527 /nfs/dbraw/zinc/19/55/27/588195527.db2.gz RWJGORASKFBITP-SECBINFHSA-N 1 2 226.324 0.809 20 0 BCADLO Nc1ccnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844456764 588196292 /nfs/dbraw/zinc/19/62/92/588196292.db2.gz HAYAULPHVKXRAU-KNVOCYPGSA-N 1 2 226.230 0.756 20 0 BCADLO Nc1ccnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844456764 588196293 /nfs/dbraw/zinc/19/62/93/588196293.db2.gz HAYAULPHVKXRAU-KNVOCYPGSA-N 1 2 226.230 0.756 20 0 BCADLO CC1(C)C[N@H+](CC2OCCO2)[C@@H]2COC[C@H]2O1 ZINC000844473996 588198575 /nfs/dbraw/zinc/19/85/75/588198575.db2.gz NAIKXCBDVIZHOY-NXEZZACHSA-N 1 2 243.303 0.238 20 0 BCADLO CC1(C)C[N@@H+](CC2OCCO2)[C@@H]2COC[C@H]2O1 ZINC000844473996 588198577 /nfs/dbraw/zinc/19/85/77/588198577.db2.gz NAIKXCBDVIZHOY-NXEZZACHSA-N 1 2 243.303 0.238 20 0 BCADLO COC/C(C)=C/C(=O)NCc1c[nH+]cn1C ZINC000844538206 588201145 /nfs/dbraw/zinc/20/11/45/588201145.db2.gz WVAAJSJENZSOMI-RUDMXATFSA-N 1 2 223.276 0.629 20 0 BCADLO Cc1nn(C[N@H+](C)C2CCCC2)c(=O)n1C ZINC000844681531 588213252 /nfs/dbraw/zinc/21/32/52/588213252.db2.gz RJTIDZVDTHYGOH-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@@H+](C)C2CCCC2)c(=O)n1C ZINC000844681531 588213253 /nfs/dbraw/zinc/21/32/53/588213253.db2.gz RJTIDZVDTHYGOH-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C(C)C)C2)c(=O)n1C ZINC000844696596 588214019 /nfs/dbraw/zinc/21/40/19/588214019.db2.gz JKPFJMVIYQEWIZ-NSHDSACASA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C(C)C)C2)c(=O)n1C ZINC000844696596 588214021 /nfs/dbraw/zinc/21/40/21/588214021.db2.gz JKPFJMVIYQEWIZ-NSHDSACASA-N 1 2 238.335 0.826 20 0 BCADLO Cc1nn(C[N@H+](C)CCC2CC2)c(=O)n1C ZINC000844699702 588214238 /nfs/dbraw/zinc/21/42/38/588214238.db2.gz WVTIFSXFPHDDDB-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+](C)CCC2CC2)c(=O)n1C ZINC000844699702 588214239 /nfs/dbraw/zinc/21/42/39/588214239.db2.gz WVTIFSXFPHDDDB-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO CC[N@H+](CCC1CC1)Cn1nc(C)n(C)c1=O ZINC000844701789 588214505 /nfs/dbraw/zinc/21/45/05/588214505.db2.gz YFPNKGBENMYOPD-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO CC[N@@H+](CCC1CC1)Cn1nc(C)n(C)c1=O ZINC000844701789 588214507 /nfs/dbraw/zinc/21/45/07/588214507.db2.gz YFPNKGBENMYOPD-UHFFFAOYSA-N 1 2 238.335 0.970 20 0 BCADLO CS[C@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709614 588214916 /nfs/dbraw/zinc/21/49/16/588214916.db2.gz SYFRNQZHSZHDTR-VIFPVBQESA-N 1 2 242.348 0.285 20 0 BCADLO CS[C@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709614 588214917 /nfs/dbraw/zinc/21/49/17/588214917.db2.gz SYFRNQZHSZHDTR-VIFPVBQESA-N 1 2 242.348 0.285 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1=O ZINC000844749215 588216062 /nfs/dbraw/zinc/21/60/62/588216062.db2.gz WEZUPOPQKQFMLS-KUEQOTSFSA-N 1 2 242.344 0.018 20 0 BCADLO C[C@H]1CCN(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1=O ZINC000844749215 588216063 /nfs/dbraw/zinc/21/60/63/588216063.db2.gz WEZUPOPQKQFMLS-KUEQOTSFSA-N 1 2 242.344 0.018 20 0 BCADLO Cc1nonc1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000845207509 588223512 /nfs/dbraw/zinc/22/35/12/588223512.db2.gz DZTUPXOKGWONMO-QMMMGPOBSA-N 1 2 249.274 0.322 20 0 BCADLO C[C@@H](CC(=O)OCc1cnnn1C)n1cc[nH+]c1 ZINC000845283788 588225637 /nfs/dbraw/zinc/22/56/37/588225637.db2.gz GUQPEYIHVYPARX-VIFPVBQESA-N 1 2 249.274 0.706 20 0 BCADLO CCON(C)C(=O)CNc1cccc[nH+]1 ZINC000845715281 588242395 /nfs/dbraw/zinc/24/23/95/588242395.db2.gz HVLYEASDPFMFFW-UHFFFAOYSA-N 1 2 209.249 0.903 20 0 BCADLO COC/C(C)=C\C(=O)NCCc1c[nH+]cn1C ZINC000845933699 588250663 /nfs/dbraw/zinc/25/06/63/588250663.db2.gz KFLICHLGKSUGMG-POHAHGRESA-N 1 2 237.303 0.672 20 0 BCADLO COC/C(C)=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845961736 588252012 /nfs/dbraw/zinc/25/20/12/588252012.db2.gz OKSRPQXKSBTRAM-ZJRUKIMVSA-N 1 2 249.314 0.907 20 0 BCADLO CCOCC[NH+]1CCN(CCC(C)=O)CC1 ZINC000106106776 588252169 /nfs/dbraw/zinc/25/21/69/588252169.db2.gz RZTJQCHTZDFZJJ-UHFFFAOYSA-N 1 2 228.336 0.620 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nc(C)cs1 ZINC000846063868 588254905 /nfs/dbraw/zinc/25/49/05/588254905.db2.gz XMWLKVZRSGPJMI-UHFFFAOYSA-N 1 2 243.332 0.951 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCCSC1 ZINC000846084354 588255940 /nfs/dbraw/zinc/25/59/40/588255940.db2.gz CKLCPGGDCAEWGS-MRVPVSSYSA-N 1 2 218.322 0.539 20 0 BCADLO CCONC(=O)C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000846087881 588255995 /nfs/dbraw/zinc/25/59/95/588255995.db2.gz UZOGVKHWYRJJTO-MNOVXSKESA-N 1 2 244.335 0.849 20 0 BCADLO CCONC(=O)C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000846087884 588256005 /nfs/dbraw/zinc/25/60/05/588256005.db2.gz UZOGVKHWYRJJTO-WDEREUQCSA-N 1 2 244.335 0.849 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000846110062 588256908 /nfs/dbraw/zinc/25/69/08/588256908.db2.gz HHUWJHUCQGMXSF-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000846110062 588256909 /nfs/dbraw/zinc/25/69/09/588256909.db2.gz HHUWJHUCQGMXSF-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C[C@@H](CC(=O)NOC(C)(C)CO)n1cc[nH+]c1 ZINC000846236803 588262301 /nfs/dbraw/zinc/26/23/01/588262301.db2.gz CDSAKGRYZKFJTI-VIFPVBQESA-N 1 2 241.291 0.653 20 0 BCADLO CC(C)(NC(=O)CC1OCCO1)c1[nH]cc[nH+]1 ZINC000846245306 588262581 /nfs/dbraw/zinc/26/25/81/588262581.db2.gz UNFLOQDYEGJZKJ-UHFFFAOYSA-N 1 2 239.275 0.524 20 0 BCADLO CC(C)(NC(=O)c1cnsn1)c1[nH]cc[nH+]1 ZINC000846247157 588262602 /nfs/dbraw/zinc/26/26/02/588262602.db2.gz VNXGMJJZCYSUSI-UHFFFAOYSA-N 1 2 237.288 0.926 20 0 BCADLO CN(C)c1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1 ZINC000846703692 588283812 /nfs/dbraw/zinc/28/38/12/588283812.db2.gz XSEXDWWPGKBIAO-SNVBAGLBSA-N 1 2 233.271 0.343 20 0 BCADLO O=C1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)C(=O)N1 ZINC000846703485 588283870 /nfs/dbraw/zinc/28/38/70/588283870.db2.gz OFRXISLAHSWOPJ-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO O=C1C[C@H]([N@H+]2CCc3c(F)cccc3C2)C(=O)N1 ZINC000846703485 588283871 /nfs/dbraw/zinc/28/38/71/588283871.db2.gz OFRXISLAHSWOPJ-NSHDSACASA-N 1 2 248.257 0.599 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCOC(C)(C)C2)OC1=O ZINC000846759858 588286320 /nfs/dbraw/zinc/28/63/20/588286320.db2.gz CONLRTIYEOTPNJ-JTQLQIEISA-N 1 2 242.319 0.938 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCOC(C)(C)C2)OC1=O ZINC000846759858 588286321 /nfs/dbraw/zinc/28/63/21/588286321.db2.gz CONLRTIYEOTPNJ-JTQLQIEISA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1C[N@H+](C[C@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769800 588287017 /nfs/dbraw/zinc/28/70/17/588287017.db2.gz POPYOQQCQGWLMU-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@H]2CN(CC)C(=O)O2)CCO1 ZINC000846769800 588287018 /nfs/dbraw/zinc/28/70/18/588287018.db2.gz POPYOQQCQGWLMU-QWRGUYRKSA-N 1 2 242.319 0.938 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846812835 588290746 /nfs/dbraw/zinc/29/07/46/588290746.db2.gz XPBIMSOFZCPAQL-DTORHVGOSA-N 1 2 246.669 0.412 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846812835 588290747 /nfs/dbraw/zinc/29/07/47/588290747.db2.gz XPBIMSOFZCPAQL-DTORHVGOSA-N 1 2 246.669 0.412 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnsn2)[C@H]1C ZINC000846868440 588294558 /nfs/dbraw/zinc/29/45/58/588294558.db2.gz NINYRBINRHMGGP-CBAPKCEASA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnsn2)[C@H]1C ZINC000846868440 588294559 /nfs/dbraw/zinc/29/45/59/588294559.db2.gz NINYRBINRHMGGP-CBAPKCEASA-N 1 2 241.316 0.922 20 0 BCADLO CON1CC[NH+](Cc2ccnn2C)CC1 ZINC000846971036 588299064 /nfs/dbraw/zinc/29/90/64/588299064.db2.gz IVJVFZCBAUVOEX-UHFFFAOYSA-N 1 2 210.281 0.099 20 0 BCADLO COc1cncc(C[NH+]2CCN(OC)CC2)c1 ZINC000846970511 588299249 /nfs/dbraw/zinc/29/92/49/588299249.db2.gz GPCHHUVBJDYERD-UHFFFAOYSA-N 1 2 237.303 0.769 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846976892 588299929 /nfs/dbraw/zinc/29/99/29/588299929.db2.gz KIMSUIYGCNKLPA-WDEREUQCSA-N 1 2 243.351 0.469 20 0 BCADLO COC(C[N@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000847055261 588305282 /nfs/dbraw/zinc/30/52/82/588305282.db2.gz AMIVYFIOSRXYLE-SSDOTTSWSA-N 1 2 229.280 0.990 20 0 BCADLO COC(C[N@@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000847055261 588305283 /nfs/dbraw/zinc/30/52/83/588305283.db2.gz AMIVYFIOSRXYLE-SSDOTTSWSA-N 1 2 229.280 0.990 20 0 BCADLO Cc1noc(C[N@H+](C)CCC2OCCCO2)n1 ZINC000847091014 588306141 /nfs/dbraw/zinc/30/61/41/588306141.db2.gz DQCHSTOZRVDADD-UHFFFAOYSA-N 1 2 241.291 0.963 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC2OCCCO2)n1 ZINC000847091014 588306142 /nfs/dbraw/zinc/30/61/42/588306142.db2.gz DQCHSTOZRVDADD-UHFFFAOYSA-N 1 2 241.291 0.963 20 0 BCADLO C[NH+]1CCN(C(=O)c2c(F)ccnc2F)CC1 ZINC000847281267 588310117 /nfs/dbraw/zinc/31/01/17/588310117.db2.gz YIRMEYVHOOBAJV-UHFFFAOYSA-N 1 2 241.241 0.747 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cn[nH]c1 ZINC000847542040 588316112 /nfs/dbraw/zinc/31/61/12/588316112.db2.gz HOYPSSAXLNPMCR-MRVPVSSYSA-N 1 2 233.275 0.974 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cn[nH]c1 ZINC000847542040 588316114 /nfs/dbraw/zinc/31/61/14/588316114.db2.gz HOYPSSAXLNPMCR-MRVPVSSYSA-N 1 2 233.275 0.974 20 0 BCADLO COCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847547840 588316659 /nfs/dbraw/zinc/31/66/59/588316659.db2.gz ACLJFKLFFJZEMV-QMMMGPOBSA-N 1 2 227.264 0.283 20 0 BCADLO COCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847547840 588316661 /nfs/dbraw/zinc/31/66/61/588316661.db2.gz ACLJFKLFFJZEMV-QMMMGPOBSA-N 1 2 227.264 0.283 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000847548205 588316693 /nfs/dbraw/zinc/31/66/93/588316693.db2.gz IMDWLVASJHFUKS-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000847548205 588316695 /nfs/dbraw/zinc/31/66/95/588316695.db2.gz IMDWLVASJHFUKS-MWLCHTKSSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCC(F)F ZINC000847735885 588328208 /nfs/dbraw/zinc/32/82/08/588328208.db2.gz YAQVHCZOJUTSFI-LURJTMIESA-N 1 2 233.218 0.901 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCC(F)F ZINC000847735885 588328210 /nfs/dbraw/zinc/32/82/10/588328210.db2.gz YAQVHCZOJUTSFI-LURJTMIESA-N 1 2 233.218 0.901 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1[nH+]ccn1CC ZINC000848174487 588364995 /nfs/dbraw/zinc/36/49/95/588364995.db2.gz LRLXXHDOOPCAKY-VIFPVBQESA-N 1 2 225.292 0.538 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cc(C=O)c[nH]1 ZINC000848174525 588365248 /nfs/dbraw/zinc/36/52/48/588365248.db2.gz NBVDAIWOGJHBHB-UHFFFAOYSA-N 1 2 246.270 0.974 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1ccnnc1 ZINC000848174706 588365355 /nfs/dbraw/zinc/36/53/55/588365355.db2.gz TWFCNHHELFRBDT-UHFFFAOYSA-N 1 2 231.259 0.623 20 0 BCADLO O=C1O[C@@H](C[NH2+]Cc2ccn[nH]2)CN1C1CC1 ZINC000848579303 588399461 /nfs/dbraw/zinc/39/94/61/588399461.db2.gz YILFVUMFJRGOHY-JTQLQIEISA-N 1 2 236.275 0.483 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848906150 588418659 /nfs/dbraw/zinc/41/86/59/588418659.db2.gz PXCONVBJFFQKPV-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(Cl)n1C ZINC000848906150 588418660 /nfs/dbraw/zinc/41/86/60/588418660.db2.gz PXCONVBJFFQKPV-UHFFFAOYSA-N 1 2 230.699 0.381 20 0 BCADLO Cn1c(Cl)ncc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000848919684 588420622 /nfs/dbraw/zinc/42/06/22/588420622.db2.gz PRQUOOPYHOVXFH-UHFFFAOYSA-N 1 2 242.710 0.381 20 0 BCADLO C=CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000848978962 588422836 /nfs/dbraw/zinc/42/28/36/588422836.db2.gz DYRCUGSDXKHBPO-UHFFFAOYSA-N 1 2 204.229 0.857 20 0 BCADLO C[NH+](C)c1ccc(-n2cc(CON)nn2)cc1 ZINC000849146864 588455703 /nfs/dbraw/zinc/45/57/03/588455703.db2.gz YAHBBXCQGKYUIQ-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1C=CCC1 ZINC000849225764 588463140 /nfs/dbraw/zinc/46/31/40/588463140.db2.gz BTJINXPFXBYKOA-NSHDSACASA-N 1 2 239.319 0.336 20 0 BCADLO S=C(NCCn1cc[nH+]c1)NCC1CC1 ZINC000849252303 588464861 /nfs/dbraw/zinc/46/48/61/588464861.db2.gz BHLRRMGWQFIMOQ-UHFFFAOYSA-N 1 2 224.333 0.757 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCOC1=O)C1CCOCC1 ZINC000849321540 588472017 /nfs/dbraw/zinc/47/20/17/588472017.db2.gz HOBUXLJGUYUYMT-WDEREUQCSA-N 1 2 243.303 0.333 20 0 BCADLO CCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000849395064 588476572 /nfs/dbraw/zinc/47/65/72/588476572.db2.gz NGVQWJGXYHLARV-MRVPVSSYSA-N 1 2 208.265 0.989 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)CCCF)CCO1 ZINC000850194678 588526268 /nfs/dbraw/zinc/52/62/68/588526268.db2.gz PUVBGPWMHGGLSD-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)CCCF)CCO1 ZINC000850194678 588526269 /nfs/dbraw/zinc/52/62/69/588526269.db2.gz PUVBGPWMHGGLSD-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)CCCF)CCO1 ZINC000850194679 588526535 /nfs/dbraw/zinc/52/65/35/588526535.db2.gz PUVBGPWMHGGLSD-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)CCCF)CCO1 ZINC000850194679 588526537 /nfs/dbraw/zinc/52/65/37/588526537.db2.gz PUVBGPWMHGGLSD-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO Cc1c[nH]c(C[NH2+]CCS(=O)(=O)C2CC2)n1 ZINC000850325709 588536810 /nfs/dbraw/zinc/53/68/10/588536810.db2.gz ALRGTQGSOUNLKN-UHFFFAOYSA-N 1 2 243.332 0.385 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000885576814 588560083 /nfs/dbraw/zinc/56/00/83/588560083.db2.gz RULFTQXLPVAINZ-VHSXEESVSA-N 1 2 224.260 0.851 20 0 BCADLO O[C@H]1C[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000850577586 588561195 /nfs/dbraw/zinc/56/11/95/588561195.db2.gz APHRNXFSAWGMBA-NRPADANISA-N 1 2 207.277 0.900 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cnc2n1CCC2 ZINC000850987482 588582352 /nfs/dbraw/zinc/58/23/52/588582352.db2.gz GXHNSBHTACMESP-UHFFFAOYSA-N 1 2 246.270 0.883 20 0 BCADLO CN1N=C(C(=O)Nc2cc[nH+]cc2O)CCC1=O ZINC000109890321 588600667 /nfs/dbraw/zinc/60/06/67/588600667.db2.gz VJJMCMOCJXAWKH-UHFFFAOYSA-N 1 2 248.242 0.334 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851710949 588615282 /nfs/dbraw/zinc/61/52/82/588615282.db2.gz RSSAKHDCVQSCJQ-JQWIXIFHSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851710949 588615283 /nfs/dbraw/zinc/61/52/83/588615283.db2.gz RSSAKHDCVQSCJQ-JQWIXIFHSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851710951 588615408 /nfs/dbraw/zinc/61/54/08/588615408.db2.gz RSSAKHDCVQSCJQ-ZYHUDNBSSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851710951 588615409 /nfs/dbraw/zinc/61/54/09/588615409.db2.gz RSSAKHDCVQSCJQ-ZYHUDNBSSA-N 1 2 222.288 0.836 20 0 BCADLO CC(=O)N1CC[NH+](CCOC(F)F)CC1 ZINC000851718030 588616343 /nfs/dbraw/zinc/61/63/43/588616343.db2.gz BXWAFAMPZCIEFB-UHFFFAOYSA-N 1 2 222.235 0.390 20 0 BCADLO c1coc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000851717388 588616514 /nfs/dbraw/zinc/61/65/14/588616514.db2.gz LARYXSLSJATCCY-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO c1coc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000851717388 588616515 /nfs/dbraw/zinc/61/65/15/588616515.db2.gz LARYXSLSJATCCY-UHFFFAOYSA-N 1 2 247.302 0.716 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(F)n1 ZINC000851720963 588617180 /nfs/dbraw/zinc/61/71/80/588617180.db2.gz XMCSWQISBOHCDF-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(F)n1 ZINC000851720963 588617181 /nfs/dbraw/zinc/61/71/81/588617181.db2.gz XMCSWQISBOHCDF-UHFFFAOYSA-N 1 2 225.267 0.741 20 0 BCADLO CCn1ncc(C[NH+]2CCC(CO)CC2)n1 ZINC000851725570 588617817 /nfs/dbraw/zinc/61/78/17/588617817.db2.gz FXRVBSZXDBUZBP-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851725569 588617957 /nfs/dbraw/zinc/61/79/57/588617957.db2.gz BLJPSIZWBFMHDH-PWSUYJOCSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851725569 588617958 /nfs/dbraw/zinc/61/79/58/588617958.db2.gz BLJPSIZWBFMHDH-PWSUYJOCSA-N 1 2 222.288 0.836 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851731116 588619539 /nfs/dbraw/zinc/61/95/39/588619539.db2.gz XBOGXINUUGMBDO-ZETCQYMHSA-N 1 2 211.221 0.065 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851731116 588619540 /nfs/dbraw/zinc/61/95/40/588619540.db2.gz XBOGXINUUGMBDO-ZETCQYMHSA-N 1 2 211.221 0.065 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851731115 588619618 /nfs/dbraw/zinc/61/96/18/588619618.db2.gz XBOGXINUUGMBDO-SSDOTTSWSA-N 1 2 211.221 0.065 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851731115 588619619 /nfs/dbraw/zinc/61/96/19/588619619.db2.gz XBOGXINUUGMBDO-SSDOTTSWSA-N 1 2 211.221 0.065 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccc(F)n1 ZINC000851733029 588620005 /nfs/dbraw/zinc/62/00/05/588620005.db2.gz HVMJXEDTELADBP-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccc(F)n1 ZINC000851733029 588620006 /nfs/dbraw/zinc/62/00/06/588620006.db2.gz HVMJXEDTELADBP-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC000851734323 588620478 /nfs/dbraw/zinc/62/04/78/588620478.db2.gz FDJBIYVWZRWKPK-UHFFFAOYSA-N 1 2 238.291 0.418 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851737808 588621128 /nfs/dbraw/zinc/62/11/28/588621128.db2.gz OIBPHQSMSYTJCS-SNVBAGLBSA-N 1 2 238.291 0.418 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851737808 588621129 /nfs/dbraw/zinc/62/11/29/588621129.db2.gz OIBPHQSMSYTJCS-SNVBAGLBSA-N 1 2 238.291 0.418 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851741954 588621467 /nfs/dbraw/zinc/62/14/67/588621467.db2.gz PVAAIONKUVRPTI-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851741954 588621468 /nfs/dbraw/zinc/62/14/68/588621468.db2.gz PVAAIONKUVRPTI-VIFPVBQESA-N 1 2 231.292 0.633 20 0 BCADLO O=C1C[N@H+](CCOC(F)F)CCCN1 ZINC000851746992 588622263 /nfs/dbraw/zinc/62/22/63/588622263.db2.gz DNLHRMVYSIQEAP-UHFFFAOYSA-N 1 2 208.208 0.048 20 0 BCADLO O=C1C[N@@H+](CCOC(F)F)CCCN1 ZINC000851746992 588622264 /nfs/dbraw/zinc/62/22/64/588622264.db2.gz DNLHRMVYSIQEAP-UHFFFAOYSA-N 1 2 208.208 0.048 20 0 BCADLO COCC1CC[NH+](Cc2cnon2)CC1 ZINC000851767277 588625131 /nfs/dbraw/zinc/62/51/31/588625131.db2.gz BNCPZTONNAGTRX-UHFFFAOYSA-N 1 2 211.265 0.928 20 0 BCADLO OCCO[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851772422 588625839 /nfs/dbraw/zinc/62/58/39/588625839.db2.gz HEINYBKPGANSQN-SNVBAGLBSA-N 1 2 227.264 0.043 20 0 BCADLO OCCO[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851772422 588625840 /nfs/dbraw/zinc/62/58/40/588625840.db2.gz HEINYBKPGANSQN-SNVBAGLBSA-N 1 2 227.264 0.043 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851772739 588626119 /nfs/dbraw/zinc/62/61/19/588626119.db2.gz LLYZRNUIKOJWQO-NSHDSACASA-N 1 2 249.314 0.325 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851772739 588626120 /nfs/dbraw/zinc/62/61/20/588626120.db2.gz LLYZRNUIKOJWQO-NSHDSACASA-N 1 2 249.314 0.325 20 0 BCADLO O=C1C[N@@H+](CCOC(F)F)[C@@H]2CCCC[C@H]2N1 ZINC000851808802 588632184 /nfs/dbraw/zinc/63/21/84/588632184.db2.gz QBEPGYWUNJUSMY-RKDXNWHRSA-N 1 2 248.273 0.969 20 0 BCADLO O=C1C[N@H+](CCOC(F)F)[C@@H]2CCCC[C@H]2N1 ZINC000851808802 588632185 /nfs/dbraw/zinc/63/21/85/588632185.db2.gz QBEPGYWUNJUSMY-RKDXNWHRSA-N 1 2 248.273 0.969 20 0 BCADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cnon1 ZINC000851810047 588632219 /nfs/dbraw/zinc/63/22/19/588632219.db2.gz VRRWQQGQRBZNHI-SECBINFHSA-N 1 2 229.305 0.369 20 0 BCADLO OCC[C@@H]1CSCC[N@H+]1Cc1cnon1 ZINC000851810047 588632220 /nfs/dbraw/zinc/63/22/20/588632220.db2.gz VRRWQQGQRBZNHI-SECBINFHSA-N 1 2 229.305 0.369 20 0 BCADLO CCn1ncc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000851808843 588632273 /nfs/dbraw/zinc/63/22/73/588632273.db2.gz LGYRJRQNDDJOEH-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO C[N@H+](CCOCC1CC1)Cc1cnon1 ZINC000851808969 588632305 /nfs/dbraw/zinc/63/23/05/588632305.db2.gz SGBVJUAVNANNSJ-UHFFFAOYSA-N 1 2 211.265 0.928 20 0 BCADLO C[N@@H+](CCOCC1CC1)Cc1cnon1 ZINC000851808969 588632306 /nfs/dbraw/zinc/63/23/06/588632306.db2.gz SGBVJUAVNANNSJ-UHFFFAOYSA-N 1 2 211.265 0.928 20 0 BCADLO O=C1OC[C@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851813096 588632432 /nfs/dbraw/zinc/63/24/32/588632432.db2.gz QGLHGJIKECYQGK-SSDOTTSWSA-N 1 2 236.218 0.362 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851813096 588632433 /nfs/dbraw/zinc/63/24/33/588632433.db2.gz QGLHGJIKECYQGK-SSDOTTSWSA-N 1 2 236.218 0.362 20 0 BCADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851858547 588635993 /nfs/dbraw/zinc/63/59/93/588635993.db2.gz BZTCYOZXJOBVSE-SECBINFHSA-N 1 2 225.248 0.597 20 0 BCADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1cnon1 ZINC000851858547 588635994 /nfs/dbraw/zinc/63/59/94/588635994.db2.gz BZTCYOZXJOBVSE-SECBINFHSA-N 1 2 225.248 0.597 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851871748 588637059 /nfs/dbraw/zinc/63/70/59/588637059.db2.gz UKKIKARHQMBZAY-SECBINFHSA-N 1 2 223.276 0.558 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851871748 588637060 /nfs/dbraw/zinc/63/70/60/588637060.db2.gz UKKIKARHQMBZAY-SECBINFHSA-N 1 2 223.276 0.558 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851870074 588637090 /nfs/dbraw/zinc/63/70/90/588637090.db2.gz AKWMCFGUJGKUJM-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851870074 588637091 /nfs/dbraw/zinc/63/70/91/588637091.db2.gz AKWMCFGUJGKUJM-LBPRGKRZSA-N 1 2 246.314 0.981 20 0 BCADLO CCS(=O)(=O)CCN(C)Cc1cn(C)c[nH+]1 ZINC000851870866 588637204 /nfs/dbraw/zinc/63/72/04/588637204.db2.gz KIQMVEMDEXBTIT-UHFFFAOYSA-N 1 2 245.348 0.287 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000851876457 588638187 /nfs/dbraw/zinc/63/81/87/588638187.db2.gz FRFOLUWAYMOCBS-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCN(C)[C@H](C)C2)C1=O ZINC000851876457 588638188 /nfs/dbraw/zinc/63/81/88/588638188.db2.gz FRFOLUWAYMOCBS-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1cnccn1 ZINC000851877850 588638651 /nfs/dbraw/zinc/63/86/51/588638651.db2.gz SZDWTMDNFNPHSG-DTWKUNHWSA-N 1 2 218.260 0.509 20 0 BCADLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1cnccn1 ZINC000851877850 588638652 /nfs/dbraw/zinc/63/86/52/588638652.db2.gz SZDWTMDNFNPHSG-DTWKUNHWSA-N 1 2 218.260 0.509 20 0 BCADLO OCC[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000851878242 588638874 /nfs/dbraw/zinc/63/88/74/588638874.db2.gz HOCXIUQHIHWFDI-QMMMGPOBSA-N 1 2 225.235 0.309 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851885156 588639980 /nfs/dbraw/zinc/63/99/80/588639980.db2.gz XINKITCVUIIMBQ-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851885156 588639981 /nfs/dbraw/zinc/63/99/81/588639981.db2.gz XINKITCVUIIMBQ-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO CO[C@H]1CC[C@@H](N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000851954490 588647332 /nfs/dbraw/zinc/64/73/32/588647332.db2.gz LAZAZBLDBGKNNM-XQQFMLRXSA-N 1 2 242.363 0.552 20 0 BCADLO CO[C@H]1CC[C@H](N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000851954488 588647601 /nfs/dbraw/zinc/64/76/01/588647601.db2.gz LAZAZBLDBGKNNM-AVGNSLFASA-N 1 2 242.363 0.552 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851958114 588647841 /nfs/dbraw/zinc/64/78/41/588647841.db2.gz XKPCMVHUJFYRAA-PWSUYJOCSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851958114 588647842 /nfs/dbraw/zinc/64/78/42/588647842.db2.gz XKPCMVHUJFYRAA-PWSUYJOCSA-N 1 2 249.314 0.278 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851966250 588648475 /nfs/dbraw/zinc/64/84/75/588648475.db2.gz FIRMWZLANQVNNC-VHSXEESVSA-N 1 2 243.303 0.679 20 0 BCADLO COC[C@@H]1C[N@H+](CCOC(F)F)C[C@H](C)O1 ZINC000851971156 588649537 /nfs/dbraw/zinc/64/95/37/588649537.db2.gz ONOKMSCIQSBCPW-IUCAKERBSA-N 1 2 239.262 0.961 20 0 BCADLO COC[C@@H]1C[N@@H+](CCOC(F)F)C[C@H](C)O1 ZINC000851971156 588649538 /nfs/dbraw/zinc/64/95/38/588649538.db2.gz ONOKMSCIQSBCPW-IUCAKERBSA-N 1 2 239.262 0.961 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000851975107 588649922 /nfs/dbraw/zinc/64/99/22/588649922.db2.gz NJJWVQQMERQVIS-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(F)F)C[C@H](CO)O1 ZINC000851975107 588649923 /nfs/dbraw/zinc/64/99/23/588649923.db2.gz NJJWVQQMERQVIS-HTQZYQBOSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1C[N@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000851975110 588650034 /nfs/dbraw/zinc/65/00/34/588650034.db2.gz NJJWVQQMERQVIS-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000851975110 588650035 /nfs/dbraw/zinc/65/00/35/588650035.db2.gz NJJWVQQMERQVIS-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000851974051 588650042 /nfs/dbraw/zinc/65/00/42/588650042.db2.gz QCWHMZRYIOBNEJ-QMMMGPOBSA-N 1 2 238.291 0.314 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000851974051 588650043 /nfs/dbraw/zinc/65/00/43/588650043.db2.gz QCWHMZRYIOBNEJ-QMMMGPOBSA-N 1 2 238.291 0.314 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnon1 ZINC000851975306 588650159 /nfs/dbraw/zinc/65/01/59/588650159.db2.gz PGDCZDTYKGZKFE-JEZHCXPESA-N 1 2 236.275 0.155 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnon1 ZINC000851975306 588650160 /nfs/dbraw/zinc/65/01/60/588650160.db2.gz PGDCZDTYKGZKFE-JEZHCXPESA-N 1 2 236.275 0.155 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnon1 ZINC000851975305 588650277 /nfs/dbraw/zinc/65/02/77/588650277.db2.gz PGDCZDTYKGZKFE-HGNGGELXSA-N 1 2 236.275 0.155 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnon1 ZINC000851975305 588650278 /nfs/dbraw/zinc/65/02/78/588650278.db2.gz PGDCZDTYKGZKFE-HGNGGELXSA-N 1 2 236.275 0.155 20 0 BCADLO C[C@H]([NH2+]CCc1c[nH]nn1)c1nnnn1C1CC1 ZINC000851981034 588650817 /nfs/dbraw/zinc/65/08/17/588650817.db2.gz OPYNIAVYBQEKFS-ZETCQYMHSA-N 1 2 248.294 0.019 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)C[C@H](C)[S@@]1=O ZINC000851979983 588650935 /nfs/dbraw/zinc/65/09/35/588650935.db2.gz NFJLRRNFHHCSDM-MQPMOYQSSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)C[C@H](C)[S@@]1=O ZINC000851979983 588650936 /nfs/dbraw/zinc/65/09/36/588650936.db2.gz NFJLRRNFHHCSDM-MQPMOYQSSA-N 1 2 245.344 0.533 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000851978558 588651191 /nfs/dbraw/zinc/65/11/91/588651191.db2.gz OKYKIGPVROLUII-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000851978558 588651192 /nfs/dbraw/zinc/65/11/92/588651192.db2.gz OKYKIGPVROLUII-UHFFFAOYSA-N 1 2 211.240 0.528 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852005448 588654387 /nfs/dbraw/zinc/65/43/87/588654387.db2.gz UDLLRKSXURSUON-RKDXNWHRSA-N 1 2 231.292 0.631 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852005448 588654388 /nfs/dbraw/zinc/65/43/88/588654388.db2.gz UDLLRKSXURSUON-RKDXNWHRSA-N 1 2 231.292 0.631 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014592 588655226 /nfs/dbraw/zinc/65/52/26/588655226.db2.gz OFAJWZQHLNLKCK-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1C ZINC000852014592 588655227 /nfs/dbraw/zinc/65/52/27/588655227.db2.gz OFAJWZQHLNLKCK-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO O=CN1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000852073260 588659229 /nfs/dbraw/zinc/65/92/29/588659229.db2.gz QHNSQYTWBACSJK-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO O=CN1CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000852073260 588659230 /nfs/dbraw/zinc/65/92/30/588659230.db2.gz QHNSQYTWBACSJK-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)[C@@H]1CC(C)(C)OC1=O ZINC000852079457 588660126 /nfs/dbraw/zinc/66/01/26/588660126.db2.gz NDWCOLYXQIIKHL-SECBINFHSA-N 1 2 238.291 0.373 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)[C@@H]1CC(C)(C)OC1=O ZINC000852079457 588660127 /nfs/dbraw/zinc/66/01/27/588660127.db2.gz NDWCOLYXQIIKHL-SECBINFHSA-N 1 2 238.291 0.373 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)[C@@H]1CC(C)(C)OC1=O ZINC000852079457 588660128 /nfs/dbraw/zinc/66/01/28/588660128.db2.gz NDWCOLYXQIIKHL-SECBINFHSA-N 1 2 238.291 0.373 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)[C@@H]1CC(C)(C)OC1=O ZINC000852079457 588660129 /nfs/dbraw/zinc/66/01/29/588660129.db2.gz NDWCOLYXQIIKHL-SECBINFHSA-N 1 2 238.291 0.373 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000852123310 588665413 /nfs/dbraw/zinc/66/54/13/588665413.db2.gz ODYVJGIBCPCGOV-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000852123310 588665414 /nfs/dbraw/zinc/66/54/14/588665414.db2.gz ODYVJGIBCPCGOV-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C=CCC1 ZINC000852125127 588665609 /nfs/dbraw/zinc/66/56/09/588665609.db2.gz LLBGAWZHMDATTC-SECBINFHSA-N 1 2 220.276 0.938 20 0 BCADLO CCS(=O)(=O)C1C[NH+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000852140590 588666362 /nfs/dbraw/zinc/66/63/62/588666362.db2.gz XZVSCDYQTWXPQK-NXEZZACHSA-N 1 2 247.360 0.673 20 0 BCADLO CON1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000852143955 588666720 /nfs/dbraw/zinc/66/67/20/588666720.db2.gz JJGUNEFDUSKIML-UHFFFAOYSA-N 1 2 210.281 0.099 20 0 BCADLO CCN1CCC[N@H+](CCS(C)(=O)=O)[C@H](C)C1 ZINC000852166906 588668722 /nfs/dbraw/zinc/66/87/22/588668722.db2.gz ZKMLDHKDWUPVGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CCC[N@@H+](CCS(C)(=O)=O)[C@H](C)C1 ZINC000852166906 588668723 /nfs/dbraw/zinc/66/87/23/588668723.db2.gz ZKMLDHKDWUPVGW-LLVKDONJSA-N 1 2 248.392 0.447 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189057 588671164 /nfs/dbraw/zinc/67/11/64/588671164.db2.gz URVQHPQJTZJGBK-QPJJXVBHSA-N 1 2 241.247 0.326 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189057 588671165 /nfs/dbraw/zinc/67/11/65/588671165.db2.gz URVQHPQJTZJGBK-QPJJXVBHSA-N 1 2 241.247 0.326 20 0 BCADLO CCC(=O)N1CC[N@H+](CCC(OC)OC)C1 ZINC000852190424 588671208 /nfs/dbraw/zinc/67/12/08/588671208.db2.gz LMOCQRYEQNMATQ-UHFFFAOYSA-N 1 2 230.308 0.507 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCC(OC)OC)C1 ZINC000852190424 588671209 /nfs/dbraw/zinc/67/12/09/588671209.db2.gz LMOCQRYEQNMATQ-UHFFFAOYSA-N 1 2 230.308 0.507 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)n1 ZINC000852213518 588672919 /nfs/dbraw/zinc/67/29/19/588672919.db2.gz LEKFINULRMBXLQ-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)n1 ZINC000852213518 588672920 /nfs/dbraw/zinc/67/29/20/588672920.db2.gz LEKFINULRMBXLQ-XQJJYNOISA-N 1 2 240.303 0.926 20 0 BCADLO O=C1CCC2=C(CC[N@H+](Cc3cnon3)C2)N1 ZINC000852294597 588676705 /nfs/dbraw/zinc/67/67/05/588676705.db2.gz CCZIAFABPSHEOQ-UHFFFAOYSA-N 1 2 234.259 0.439 20 0 BCADLO O=C1CCC2=C(CC[N@@H+](Cc3cnon3)C2)N1 ZINC000852294597 588676706 /nfs/dbraw/zinc/67/67/06/588676706.db2.gz CCZIAFABPSHEOQ-UHFFFAOYSA-N 1 2 234.259 0.439 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295254 588676810 /nfs/dbraw/zinc/67/68/10/588676810.db2.gz COKMVBWOAKFNEY-UHFFFAOYSA-N 1 2 246.314 0.790 20 0 BCADLO Cn1ccnc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295254 588676811 /nfs/dbraw/zinc/67/68/11/588676811.db2.gz COKMVBWOAKFNEY-UHFFFAOYSA-N 1 2 246.314 0.790 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C=CCC1 ZINC000852342147 588678990 /nfs/dbraw/zinc/67/89/90/588678990.db2.gz HTTLLJOGNCHEHM-SECBINFHSA-N 1 2 220.276 0.938 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852442360 588682600 /nfs/dbraw/zinc/68/26/00/588682600.db2.gz DEIZJLNYLHTEOA-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO CON(C)C(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852442360 588682601 /nfs/dbraw/zinc/68/26/01/588682601.db2.gz DEIZJLNYLHTEOA-JTQLQIEISA-N 1 2 242.319 0.650 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CC(OC)OC ZINC000852443046 588682813 /nfs/dbraw/zinc/68/28/13/588682813.db2.gz ITBAQDMTLLAEOI-UHFFFAOYSA-N 1 2 229.276 0.243 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CC(OC)OC ZINC000852443046 588682814 /nfs/dbraw/zinc/68/28/14/588682814.db2.gz ITBAQDMTLLAEOI-UHFFFAOYSA-N 1 2 229.276 0.243 20 0 BCADLO C[C@@H]1C[NH+](CC2OCCO2)C[C@@H](C)C1=O ZINC000852473789 588683435 /nfs/dbraw/zinc/68/34/35/588683435.db2.gz GPABBLLOVAMDIK-RKDXNWHRSA-N 1 2 213.277 0.516 20 0 BCADLO COCCN(CCF)CCC[NH+]1CCOCC1 ZINC000852481814 588684154 /nfs/dbraw/zinc/68/41/54/588684154.db2.gz QTHHXGUHPBRGEA-UHFFFAOYSA-N 1 2 248.342 0.627 20 0 BCADLO COCCN(CCF)CC[N@@H+]1CCO[C@H](C)C1 ZINC000852481653 588684429 /nfs/dbraw/zinc/68/44/29/588684429.db2.gz PLVPXLKLHKLXRT-GFCCVEGCSA-N 1 2 248.342 0.625 20 0 BCADLO COCCN(CCF)CC[N@H+]1CCO[C@H](C)C1 ZINC000852481653 588684430 /nfs/dbraw/zinc/68/44/30/588684430.db2.gz PLVPXLKLHKLXRT-GFCCVEGCSA-N 1 2 248.342 0.625 20 0 BCADLO COCC[N@H+](CCF)[C@H]1CCCNC1=O ZINC000852482565 588684675 /nfs/dbraw/zinc/68/46/75/588684675.db2.gz IJDFMNXOESWSOS-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO COCC[N@@H+](CCF)[C@H]1CCCNC1=O ZINC000852482565 588684676 /nfs/dbraw/zinc/68/46/76/588684676.db2.gz IJDFMNXOESWSOS-VIFPVBQESA-N 1 2 218.272 0.183 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NCC1CCC1 ZINC000852483447 588684742 /nfs/dbraw/zinc/68/47/42/588684742.db2.gz IWQNEZBEWKUFJK-UHFFFAOYSA-N 1 2 246.326 0.821 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NCC1CCC1 ZINC000852483447 588684743 /nfs/dbraw/zinc/68/47/43/588684743.db2.gz IWQNEZBEWKUFJK-UHFFFAOYSA-N 1 2 246.326 0.821 20 0 BCADLO COCC[N@H+](CCF)CC(=O)NC(C)C ZINC000852484593 588684878 /nfs/dbraw/zinc/68/48/78/588684878.db2.gz JAIRXGRGYSWERV-UHFFFAOYSA-N 1 2 220.288 0.429 20 0 BCADLO COCC[N@@H+](CCF)CC(=O)NC(C)C ZINC000852484593 588684879 /nfs/dbraw/zinc/68/48/79/588684879.db2.gz JAIRXGRGYSWERV-UHFFFAOYSA-N 1 2 220.288 0.429 20 0 BCADLO CCN(CC)C(=O)C[N@H+](CCF)CCOC ZINC000852484848 588685140 /nfs/dbraw/zinc/68/51/40/588685140.db2.gz NDDVXWJKVWDQSU-UHFFFAOYSA-N 1 2 234.315 0.773 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](CCF)CCOC ZINC000852484848 588685141 /nfs/dbraw/zinc/68/51/41/588685141.db2.gz NDDVXWJKVWDQSU-UHFFFAOYSA-N 1 2 234.315 0.773 20 0 BCADLO COCC[N@H+](CCF)[C@@H](C)C(=O)NC1CC1 ZINC000852485528 588685149 /nfs/dbraw/zinc/68/51/49/588685149.db2.gz VKKHYRRKILQRFJ-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)NC1CC1 ZINC000852485528 588685150 /nfs/dbraw/zinc/68/51/50/588685150.db2.gz VKKHYRRKILQRFJ-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000852494698 588685262 /nfs/dbraw/zinc/68/52/62/588685262.db2.gz FDUJIXIJEJCUKA-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000852494698 588685263 /nfs/dbraw/zinc/68/52/63/588685263.db2.gz FDUJIXIJEJCUKA-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000852495819 588685284 /nfs/dbraw/zinc/68/52/84/588685284.db2.gz NKCZEUIBAFCWQE-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000852495819 588685285 /nfs/dbraw/zinc/68/52/85/588685285.db2.gz NKCZEUIBAFCWQE-NSHDSACASA-N 1 2 245.319 0.533 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000852494398 588685289 /nfs/dbraw/zinc/68/52/89/588685289.db2.gz CMUNLEMXKJJEGE-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000852494398 588685290 /nfs/dbraw/zinc/68/52/90/588685290.db2.gz CMUNLEMXKJJEGE-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000852494401 588685365 /nfs/dbraw/zinc/68/53/65/588685365.db2.gz CMUNLEMXKJJEGE-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000852494401 588685366 /nfs/dbraw/zinc/68/53/66/588685366.db2.gz CMUNLEMXKJJEGE-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000852495818 588685398 /nfs/dbraw/zinc/68/53/98/588685398.db2.gz NKCZEUIBAFCWQE-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000852495818 588685399 /nfs/dbraw/zinc/68/53/99/588685399.db2.gz NKCZEUIBAFCWQE-LLVKDONJSA-N 1 2 245.319 0.533 20 0 BCADLO CCC(=O)CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852489135 588685496 /nfs/dbraw/zinc/68/54/96/588685496.db2.gz FZRBERCHYVIVCT-LBPRGKRZSA-N 1 2 240.347 0.762 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cnon3)CC[C@H]2N1 ZINC000852495982 588685995 /nfs/dbraw/zinc/68/59/95/588685995.db2.gz OBELJQSAWFTXFO-WCBMZHEXSA-N 1 2 236.275 0.170 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cnon3)CC[C@H]2N1 ZINC000852495982 588685996 /nfs/dbraw/zinc/68/59/96/588685996.db2.gz OBELJQSAWFTXFO-WCBMZHEXSA-N 1 2 236.275 0.170 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2N1 ZINC000852495981 588686009 /nfs/dbraw/zinc/68/60/09/588686009.db2.gz OBELJQSAWFTXFO-SCZZXKLOSA-N 1 2 236.275 0.170 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2N1 ZINC000852495981 588686010 /nfs/dbraw/zinc/68/60/10/588686010.db2.gz OBELJQSAWFTXFO-SCZZXKLOSA-N 1 2 236.275 0.170 20 0 BCADLO CC(C)COC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000852499497 588686064 /nfs/dbraw/zinc/68/60/64/588686064.db2.gz OACWSJLVEFLDTB-UHFFFAOYSA-N 1 2 245.319 0.005 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@H]2COC(C)(C)O2)nn1 ZINC000852552645 588689446 /nfs/dbraw/zinc/68/94/46/588689446.db2.gz BYAKSZZCNBNLOO-JTQLQIEISA-N 1 2 240.307 0.398 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)nn1 ZINC000852552645 588689447 /nfs/dbraw/zinc/68/94/47/588689447.db2.gz BYAKSZZCNBNLOO-JTQLQIEISA-N 1 2 240.307 0.398 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cn(C)cn1 ZINC000852568888 588691341 /nfs/dbraw/zinc/69/13/41/588691341.db2.gz UGJBRCRWIOVRCM-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cn(C)cn1 ZINC000852568888 588691342 /nfs/dbraw/zinc/69/13/42/588691342.db2.gz UGJBRCRWIOVRCM-UHFFFAOYSA-N 1 2 240.307 0.550 20 0 BCADLO CN1CC[N@H+](Cc2cccc(F)n2)CCC1=O ZINC000852578477 588691632 /nfs/dbraw/zinc/69/16/32/588691632.db2.gz NNSLJZNAXQBKJA-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2cccc(F)n2)CCC1=O ZINC000852578477 588691633 /nfs/dbraw/zinc/69/16/33/588691633.db2.gz NNSLJZNAXQBKJA-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO O[C@@H]1C[C@@H]([NH2+]Cc2cnsn2)C12CCC2 ZINC000852581663 588691768 /nfs/dbraw/zinc/69/17/68/588691768.db2.gz MGUAPMVAXWGADM-RKDXNWHRSA-N 1 2 225.317 0.931 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000852630781 588692811 /nfs/dbraw/zinc/69/28/11/588692811.db2.gz YFUCULCPINDSPG-SNVBAGLBSA-N 1 2 245.319 0.005 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000852630781 588692812 /nfs/dbraw/zinc/69/28/12/588692812.db2.gz YFUCULCPINDSPG-SNVBAGLBSA-N 1 2 245.319 0.005 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CC(OC)OC ZINC000852706009 588697102 /nfs/dbraw/zinc/69/71/02/588697102.db2.gz PDLLNPRVRACEGL-UHFFFAOYSA-N 1 2 243.303 0.633 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CC(OC)OC ZINC000852706009 588697103 /nfs/dbraw/zinc/69/71/03/588697103.db2.gz PDLLNPRVRACEGL-UHFFFAOYSA-N 1 2 243.303 0.633 20 0 BCADLO COC(=O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720584 588698076 /nfs/dbraw/zinc/69/80/76/588698076.db2.gz LMVIYQKYFQZRKH-UHFFFAOYSA-N 1 2 242.275 0.076 20 0 BCADLO CONC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852786778 588701663 /nfs/dbraw/zinc/70/16/63/588701663.db2.gz KHFBFOXRGCOAOF-JTQLQIEISA-N 1 2 206.245 0.899 20 0 BCADLO COC[C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000885798790 589166676 /nfs/dbraw/zinc/16/66/76/589166676.db2.gz NRYRALCFNHZORT-NSHDSACASA-N 1 2 239.319 0.918 20 0 BCADLO C[C@H]1SCC[N@H+](CCS(C)(=O)=O)[C@H]1C ZINC000118417455 589172491 /nfs/dbraw/zinc/17/24/91/589172491.db2.gz RRVVUDGLRKYWCT-DTWKUNHWSA-N 1 2 237.390 0.857 20 0 BCADLO C[C@H]1SCC[N@@H+](CCS(C)(=O)=O)[C@H]1C ZINC000118417455 589172492 /nfs/dbraw/zinc/17/24/92/589172492.db2.gz RRVVUDGLRKYWCT-DTWKUNHWSA-N 1 2 237.390 0.857 20 0 BCADLO Cc1ccnn1CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000861854158 589180708 /nfs/dbraw/zinc/18/07/08/589180708.db2.gz SSLVEXSCILJPCQ-SNVBAGLBSA-N 1 2 245.286 0.649 20 0 BCADLO O=C(NC[C@H]1COCO1)c1ccc2[nH+]ccn2c1 ZINC000861969669 589185869 /nfs/dbraw/zinc/18/58/69/589185869.db2.gz XSDOKMGFKDLMAV-JTQLQIEISA-N 1 2 247.254 0.437 20 0 BCADLO O=C(NC[C@@H]1COCO1)c1cccc2[nH+]ccn21 ZINC000861970651 589185996 /nfs/dbraw/zinc/18/59/96/589185996.db2.gz CCYAXUGYIVEMKI-SECBINFHSA-N 1 2 247.254 0.437 20 0 BCADLO O=C(NC[C@H]1COCO1)c1cccc2[nH+]ccn21 ZINC000861970653 589186008 /nfs/dbraw/zinc/18/60/08/589186008.db2.gz CCYAXUGYIVEMKI-VIFPVBQESA-N 1 2 247.254 0.437 20 0 BCADLO Cc1c[nH]c(CN(C)[C@@H]2CCCCNC2=O)[nH+]1 ZINC000862237484 589196382 /nfs/dbraw/zinc/19/63/82/589196382.db2.gz QKUGVORJMNWBSV-SNVBAGLBSA-N 1 2 236.319 0.819 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccnc(F)c1C ZINC000862339721 589201985 /nfs/dbraw/zinc/20/19/85/589201985.db2.gz FEBYFAIWDYBRJM-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccnc(F)c1C ZINC000862339721 589201986 /nfs/dbraw/zinc/20/19/86/589201986.db2.gz FEBYFAIWDYBRJM-UHFFFAOYSA-N 1 2 225.267 0.836 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000862384024 589206915 /nfs/dbraw/zinc/20/69/15/589206915.db2.gz JXPCHPRPJSECCR-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000862384024 589206916 /nfs/dbraw/zinc/20/69/16/589206916.db2.gz JXPCHPRPJSECCR-JTQLQIEISA-N 1 2 231.246 0.920 20 0 BCADLO Cc1c[nH]c(CN2CC(O)(C(C)C)C2)[nH+]1 ZINC000862389061 589207129 /nfs/dbraw/zinc/20/71/29/589207129.db2.gz FTSVVGIXJNORHD-UHFFFAOYSA-N 1 2 209.293 0.921 20 0 BCADLO CCN(OC)C(=O)C[NH2+]Cc1cnc(C)o1 ZINC000862399808 589209372 /nfs/dbraw/zinc/20/93/72/589209372.db2.gz DCIHTVMPWZNUFQ-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cnc(C)o1 ZINC000862454946 589215990 /nfs/dbraw/zinc/21/59/90/589215990.db2.gz XWZJVKWIUGGXBH-UHFFFAOYSA-N 1 2 241.291 0.873 20 0 BCADLO COC(=O)C1=CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000862659256 589230899 /nfs/dbraw/zinc/23/08/99/589230899.db2.gz PNIFJWLNZKYOGU-SNVBAGLBSA-N 1 2 249.270 0.261 20 0 BCADLO COCc1nn(C[N@@H+]2CCC[C@@H](C)C2)c(=O)o1 ZINC000119024862 589231442 /nfs/dbraw/zinc/23/14/42/589231442.db2.gz CVPRYXXHJYRSHA-SECBINFHSA-N 1 2 241.291 0.672 20 0 BCADLO COCc1nn(C[N@H+]2CCC[C@@H](C)C2)c(=O)o1 ZINC000119024862 589231444 /nfs/dbraw/zinc/23/14/44/589231444.db2.gz CVPRYXXHJYRSHA-SECBINFHSA-N 1 2 241.291 0.672 20 0 BCADLO COC(=O)C1=CC[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000862666377 589231623 /nfs/dbraw/zinc/23/16/23/589231623.db2.gz JAMFNMYXOBUZTO-SECBINFHSA-N 1 2 249.270 0.710 20 0 BCADLO O=C(Nn1cccn1)[C@H]1CCc2[nH+]ccn2C1 ZINC000862766674 589238960 /nfs/dbraw/zinc/23/89/60/589238960.db2.gz YPUKTZRELDYRIO-VIFPVBQESA-N 1 2 231.259 0.412 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000862767443 589239038 /nfs/dbraw/zinc/23/90/38/589239038.db2.gz BMFJPXWVDCELIJ-SECBINFHSA-N 1 2 231.259 0.412 20 0 BCADLO O=C(Nn1cccn1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000862769621 589239984 /nfs/dbraw/zinc/23/99/84/589239984.db2.gz KDPNBGONPORRMC-QMMMGPOBSA-N 1 2 231.259 0.481 20 0 BCADLO O=C(Nn1cccn1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000862769621 589239986 /nfs/dbraw/zinc/23/99/86/589239986.db2.gz KDPNBGONPORRMC-QMMMGPOBSA-N 1 2 231.259 0.481 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nn1cccn1 ZINC000862769460 589240162 /nfs/dbraw/zinc/24/01/62/589240162.db2.gz ICRISBHEDNLGKL-RKDXNWHRSA-N 1 2 231.259 0.490 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000862859251 589244548 /nfs/dbraw/zinc/24/45/48/589244548.db2.gz FHTPSRBMPRJROH-VHSXEESVSA-N 1 2 235.287 0.732 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000203586042 589247775 /nfs/dbraw/zinc/24/77/75/589247775.db2.gz BCYOCZNEJMUHRX-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)CCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000203586042 589247776 /nfs/dbraw/zinc/24/77/76/589247776.db2.gz BCYOCZNEJMUHRX-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CC/C=C(/C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862972419 589249119 /nfs/dbraw/zinc/24/91/19/589249119.db2.gz DFIFLCVAUAFWGD-VQNWOSHQSA-N 1 2 226.320 0.790 20 0 BCADLO CC/C=C(/C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862972419 589249120 /nfs/dbraw/zinc/24/91/20/589249120.db2.gz DFIFLCVAUAFWGD-VQNWOSHQSA-N 1 2 226.320 0.790 20 0 BCADLO CCC/C=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862968920 589249354 /nfs/dbraw/zinc/24/93/54/589249354.db2.gz GVWXRAVIXKWUEA-GZTOBOFZSA-N 1 2 226.320 0.790 20 0 BCADLO CCC/C=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862968920 589249355 /nfs/dbraw/zinc/24/93/55/589249355.db2.gz GVWXRAVIXKWUEA-GZTOBOFZSA-N 1 2 226.320 0.790 20 0 BCADLO COC/C(C)=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969205 589249484 /nfs/dbraw/zinc/24/94/84/589249484.db2.gz JSVDHAKESINUBG-SDKXAQGSSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C(C)=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969205 589249486 /nfs/dbraw/zinc/24/94/86/589249486.db2.gz JSVDHAKESINUBG-SDKXAQGSSA-N 1 2 242.319 0.026 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862968650 589249593 /nfs/dbraw/zinc/24/95/93/589249593.db2.gz AHRLMWIEFVOOKS-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862968650 589249594 /nfs/dbraw/zinc/24/95/94/589249594.db2.gz AHRLMWIEFVOOKS-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C=C1CCC1 ZINC000862971197 589249871 /nfs/dbraw/zinc/24/98/71/589249871.db2.gz PTAIEFBWZPNNKS-LLVKDONJSA-N 1 2 224.304 0.544 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C=C1CCC1 ZINC000862971197 589249872 /nfs/dbraw/zinc/24/98/72/589249872.db2.gz PTAIEFBWZPNNKS-LLVKDONJSA-N 1 2 224.304 0.544 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C=C1CCCC1 ZINC000862973563 589250180 /nfs/dbraw/zinc/25/01/80/589250180.db2.gz PYXZNZTXUCCBRV-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C=C1CCCC1 ZINC000862973563 589250182 /nfs/dbraw/zinc/25/01/82/589250182.db2.gz PYXZNZTXUCCBRV-LBPRGKRZSA-N 1 2 238.331 0.934 20 0 BCADLO Cn1cnn(C[N@H+](C)CC2(C)COC2)c1=S ZINC000863299119 589277385 /nfs/dbraw/zinc/27/73/85/589277385.db2.gz VACMPJJGBLRMGY-UHFFFAOYSA-N 1 2 242.348 0.877 20 0 BCADLO Cn1cnn(C[N@@H+](C)CC2(C)COC2)c1=S ZINC000863299119 589277387 /nfs/dbraw/zinc/27/73/87/589277387.db2.gz VACMPJJGBLRMGY-UHFFFAOYSA-N 1 2 242.348 0.877 20 0 BCADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000863456828 589289530 /nfs/dbraw/zinc/28/95/30/589289530.db2.gz KVNNQHUENWCMQH-ZJUUUORDSA-N 1 2 227.308 0.473 20 0 BCADLO Cn1nc(CO[NH+]=C(N)CCO)cc1Cl ZINC000863467739 589290979 /nfs/dbraw/zinc/29/09/79/589290979.db2.gz JJRKEAVPLWGVIH-UHFFFAOYSA-N 1 2 232.671 0.454 20 0 BCADLO CC[NH2+]Cc1noc(COCC(F)F)n1 ZINC000863655858 589308151 /nfs/dbraw/zinc/30/81/51/589308151.db2.gz HUNORCDWNYYNRE-UHFFFAOYSA-N 1 2 221.207 0.961 20 0 BCADLO CN(OCC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000863845712 589322545 /nfs/dbraw/zinc/32/25/45/589322545.db2.gz GYBOQTKZYQUAFX-UHFFFAOYSA-N 1 2 237.181 0.905 20 0 BCADLO CCc1nnc(C[NH2+]C2(C)COC2)s1 ZINC000864049964 589335078 /nfs/dbraw/zinc/33/50/78/589335078.db2.gz PLOIUXDPLWWROG-UHFFFAOYSA-N 1 2 213.306 0.979 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000864078515 589341231 /nfs/dbraw/zinc/34/12/31/589341231.db2.gz KLPHIIBHSBYBOY-MNOVXSKESA-N 1 2 235.287 0.636 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000864078515 589341233 /nfs/dbraw/zinc/34/12/33/589341233.db2.gz KLPHIIBHSBYBOY-MNOVXSKESA-N 1 2 235.287 0.636 20 0 BCADLO CON(C)C(=O)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000864090897 589343355 /nfs/dbraw/zinc/34/33/55/589343355.db2.gz LEOJZMNRMFXLAH-MRVPVSSYSA-N 1 2 239.275 0.394 20 0 BCADLO CC(C)Cc1cc(NC[C@@H](O)[C@@H](C)O)nc[nH+]1 ZINC000864093320 589344231 /nfs/dbraw/zinc/34/42/31/589344231.db2.gz NEHQOBCTOPHAPJ-MWLCHTKSSA-N 1 2 239.319 0.829 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCC1CSC1 ZINC000864264643 589352249 /nfs/dbraw/zinc/35/22/49/589352249.db2.gz BVIIBBHIZLCPHI-UHFFFAOYSA-N 1 2 240.332 0.545 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCCC1 ZINC000864375991 589356556 /nfs/dbraw/zinc/35/65/56/589356556.db2.gz HJGNORLODQBZHX-SECBINFHSA-N 1 2 209.249 0.456 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3nccn3c2)CC1 ZINC000864383258 589356703 /nfs/dbraw/zinc/35/67/03/589356703.db2.gz WHIUXFQUOCOQSL-UHFFFAOYSA-N 1 2 245.286 0.117 20 0 BCADLO CCON(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000864427779 589362184 /nfs/dbraw/zinc/36/21/84/589362184.db2.gz VWZCGCACARGCML-UHFFFAOYSA-N 1 2 245.323 0.302 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCC1 ZINC000864609258 589383172 /nfs/dbraw/zinc/38/31/72/589383172.db2.gz YUQFFYNNZJVTAA-IWQZZHSRSA-N 1 2 210.277 0.107 20 0 BCADLO CCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864810640 589394749 /nfs/dbraw/zinc/39/47/49/589394749.db2.gz FPVRTRDATXRASC-PLNGDYQASA-N 1 2 212.293 0.353 20 0 BCADLO CCCN(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864810781 589395073 /nfs/dbraw/zinc/39/50/73/589395073.db2.gz HUTOAYKENYOPDM-SECBINFHSA-N 1 2 211.265 0.702 20 0 BCADLO CC(C)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864812735 589395487 /nfs/dbraw/zinc/39/54/87/589395487.db2.gz BBMZDLPVDIFNLL-VIFPVBQESA-N 1 2 211.265 0.558 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[NH+](CCO)CC1 ZINC000864815020 589395925 /nfs/dbraw/zinc/39/59/25/589395925.db2.gz RZGAYQAXUJGZBN-KMKOMSMNSA-N 1 2 230.283 0.386 20 0 BCADLO CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864858924 589398435 /nfs/dbraw/zinc/39/84/35/589398435.db2.gz QNLHGJFVNCAMQO-VIFPVBQESA-N 1 2 239.275 0.081 20 0 BCADLO COC/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864883397 589399868 /nfs/dbraw/zinc/39/98/68/589399868.db2.gz APHMQYRFCPJHHO-HMDXOVGESA-N 1 2 223.276 0.590 20 0 BCADLO CN(CC1CC1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864930500 589401200 /nfs/dbraw/zinc/40/12/00/589401200.db2.gz LVCBQUFCWCVZTL-IHWYPQMZSA-N 1 2 238.331 0.743 20 0 BCADLO CCCN(CC(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865071141 589407303 /nfs/dbraw/zinc/40/73/03/589407303.db2.gz PHWDODJGTXRAFR-VIFPVBQESA-N 1 2 247.245 0.947 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865117797 589409686 /nfs/dbraw/zinc/40/96/86/589409686.db2.gz SRQHONQQSNPBPH-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCCO1 ZINC000865131518 589410112 /nfs/dbraw/zinc/41/01/12/589410112.db2.gz QBOYJYHCPZGNHP-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO CO[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865147724 589411224 /nfs/dbraw/zinc/41/12/24/589411224.db2.gz KHBJYNGUIBQETM-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO CCNC(=S)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000865273218 589418100 /nfs/dbraw/zinc/41/81/00/589418100.db2.gz VDANVWVXHMHVFL-UHFFFAOYSA-N 1 2 239.348 0.635 20 0 BCADLO CCNC(=S)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865273218 589418101 /nfs/dbraw/zinc/41/81/01/589418101.db2.gz VDANVWVXHMHVFL-UHFFFAOYSA-N 1 2 239.348 0.635 20 0 BCADLO Cn1nnc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376429 589428473 /nfs/dbraw/zinc/42/84/73/589428473.db2.gz MYZKMENFESTALI-UHFFFAOYSA-N 1 2 220.280 0.752 20 0 BCADLO COCC=CC(=O)Nc1cc[nH+]cc1C ZINC000865575172 589448277 /nfs/dbraw/zinc/44/82/77/589448277.db2.gz KVCAHISCHNEGPF-ONEGZZNKSA-N 1 2 206.245 0.953 20 0 BCADLO C[C@@H](CF)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865579080 589448472 /nfs/dbraw/zinc/44/84/72/589448472.db2.gz RUYVBRRRTKDZQE-GXSJLCMTSA-N 1 2 242.298 0.905 20 0 BCADLO OC[C@H](O)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865624687 589451831 /nfs/dbraw/zinc/45/18/31/589451831.db2.gz WVMHGJCHERNXGV-RXMQYKEDSA-N 1 2 242.666 0.376 20 0 BCADLO C[C@H](O)c1ccc(N(C)[C@H]2CCNC2=O)[nH+]c1 ZINC000865647021 589454209 /nfs/dbraw/zinc/45/42/09/589454209.db2.gz LXOVMIUIJZCSHJ-WPRPVWTQSA-N 1 2 235.287 0.460 20 0 BCADLO C[C@@H](O)c1ccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]c1 ZINC000865711647 589458042 /nfs/dbraw/zinc/45/80/42/589458042.db2.gz PNCQLMDKEAANLV-VHSXEESVSA-N 1 2 249.314 0.802 20 0 BCADLO C[C@H](O)c1ccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]c1 ZINC000865711645 589458089 /nfs/dbraw/zinc/45/80/89/589458089.db2.gz PNCQLMDKEAANLV-UWVGGRQHSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1c(Cl)c(C[NH2+]C[C@@H](O)[C@H](C)O)nn1C ZINC000865737894 589459378 /nfs/dbraw/zinc/45/93/78/589459378.db2.gz HDKIXTJRHDYFFI-IONNQARKSA-N 1 2 247.726 0.213 20 0 BCADLO Cc1c(Cl)c(C[NH2+]C[C@@H](O)[C@@H](C)O)nn1C ZINC000865737895 589459470 /nfs/dbraw/zinc/45/94/70/589459470.db2.gz HDKIXTJRHDYFFI-VXNVDRBHSA-N 1 2 247.726 0.213 20 0 BCADLO O[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865863068 589465948 /nfs/dbraw/zinc/46/59/48/589465948.db2.gz WEZSMVFOZUZEAU-OLQVQODUSA-N 1 2 238.678 0.968 20 0 BCADLO CCCNc1cc(N2CN(C)C(=O)[C@@H]2C)nc[nH+]1 ZINC000865902163 589468057 /nfs/dbraw/zinc/46/80/57/589468057.db2.gz PXFYBDXZYSOVML-VIFPVBQESA-N 1 2 249.318 0.923 20 0 BCADLO CCCNc1cc(N2CN(C)C(=O)[C@@H]2C)[nH+]cn1 ZINC000865902163 589468058 /nfs/dbraw/zinc/46/80/58/589468058.db2.gz PXFYBDXZYSOVML-VIFPVBQESA-N 1 2 249.318 0.923 20 0 BCADLO COC/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866002217 589471902 /nfs/dbraw/zinc/47/19/02/589471902.db2.gz PCJZDJPLIIRDLA-DLRQAJBASA-N 1 2 237.303 0.838 20 0 BCADLO C[C@@H](O)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000866111168 589476925 /nfs/dbraw/zinc/47/69/25/589476925.db2.gz YHSCDOPDAGBTRS-APPZFPTMSA-N 1 2 223.276 0.508 20 0 BCADLO CCCCc1cc(NC[C@H](O)[C@@H](C)O)nc[nH+]1 ZINC000866111396 589476974 /nfs/dbraw/zinc/47/69/74/589476974.db2.gz CUUQPLUYJGPXSF-KOLCDFICSA-N 1 2 239.319 0.973 20 0 BCADLO C[C@@H](O)[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000866111882 589477116 /nfs/dbraw/zinc/47/71/16/589477116.db2.gz NAFFCVBNGSYAIE-VXNVDRBHSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@@H](O)[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000866111882 589477117 /nfs/dbraw/zinc/47/71/17/589477117.db2.gz NAFFCVBNGSYAIE-VXNVDRBHSA-N 1 2 238.291 0.205 20 0 BCADLO Cc1nc(C(=O)NCC(C)(C)n2cc[nH+]c2)no1 ZINC000866124015 589477559 /nfs/dbraw/zinc/47/75/59/589477559.db2.gz HWKGUDJGTZGSDL-UHFFFAOYSA-N 1 2 249.274 0.740 20 0 BCADLO Cc1cc(N2CCCN(C=O)CC2)nc[nH+]1 ZINC000866126656 589477698 /nfs/dbraw/zinc/47/76/98/589477698.db2.gz BIKDMLUADHJXOQ-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866202127 589479734 /nfs/dbraw/zinc/47/97/34/589479734.db2.gz ZBXRNUCZEADNQX-XKSSXDPKSA-N 1 2 223.276 0.558 20 0 BCADLO C[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866203585 589479811 /nfs/dbraw/zinc/47/98/11/589479811.db2.gz OHKFFZLNZJZABI-VXNVDRBHSA-N 1 2 209.249 0.454 20 0 BCADLO O[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000866223981 589481352 /nfs/dbraw/zinc/48/13/52/589481352.db2.gz MPJSZMSQFQAXNT-OLZOCXBDSA-N 1 2 245.282 0.562 20 0 BCADLO Cc1nc(NCc2c[nH+]cn2C)cc2nncn21 ZINC000866308263 589485598 /nfs/dbraw/zinc/48/55/98/589485598.db2.gz AIENTTAQSYSZGM-UHFFFAOYSA-N 1 2 243.274 0.778 20 0 BCADLO CC(C)[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481289 589495692 /nfs/dbraw/zinc/49/56/92/589495692.db2.gz NPTFNWIQJAQWIF-KOLCDFICSA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866481583 589495921 /nfs/dbraw/zinc/49/59/21/589495921.db2.gz QXPUZZMSLBTRCL-PSASIEDQSA-N 1 2 223.276 0.702 20 0 BCADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866541529 589499931 /nfs/dbraw/zinc/49/99/31/589499931.db2.gz NYFRVZGAKCYNTC-NQMVMOMDSA-N 1 2 223.276 0.843 20 0 BCADLO O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC(O)C1 ZINC000866544571 589499966 /nfs/dbraw/zinc/49/99/66/589499966.db2.gz VXXSMEMWBOIANF-MRVPVSSYSA-N 1 2 248.273 0.167 20 0 BCADLO O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC(O)C1 ZINC000866544571 589499968 /nfs/dbraw/zinc/49/99/68/589499968.db2.gz VXXSMEMWBOIANF-MRVPVSSYSA-N 1 2 248.273 0.167 20 0 BCADLO COC/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537356 589524782 /nfs/dbraw/zinc/52/47/82/589524782.db2.gz IALZVARQDJUDFN-PBKGFPTLSA-N 1 2 235.287 0.517 20 0 BCADLO COC/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537355 589524794 /nfs/dbraw/zinc/52/47/94/589524794.db2.gz IALZVARQDJUDFN-MXQLGCADSA-N 1 2 235.287 0.517 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCCO1 ZINC000867679384 589530702 /nfs/dbraw/zinc/53/07/02/589530702.db2.gz XELRYJMUNLZWSI-ONEGZZNKSA-N 1 2 240.303 0.429 20 0 BCADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867938096 589540655 /nfs/dbraw/zinc/54/06/55/589540655.db2.gz DIHVDIFSBQIBJC-BKPPORCPSA-N 1 2 209.249 0.452 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000868259363 589552951 /nfs/dbraw/zinc/55/29/51/589552951.db2.gz AYTFDOHKZKYQTA-SCZZXKLOSA-N 1 2 239.275 0.081 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868493420 589560806 /nfs/dbraw/zinc/56/08/06/589560806.db2.gz QWQGBBXDGMUSCT-WCBMZHEXSA-N 1 2 241.291 0.327 20 0 BCADLO COCC(C)(C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868533439 589563071 /nfs/dbraw/zinc/56/30/71/589563071.db2.gz CTOYDIDMLBATNE-VIFPVBQESA-N 1 2 241.291 0.327 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]1C(F)F ZINC000868606445 589567677 /nfs/dbraw/zinc/56/76/77/589567677.db2.gz USJFVIMSLYEBSV-ZCFIWIBFSA-N 1 2 215.203 0.818 20 0 BCADLO CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868644668 589569836 /nfs/dbraw/zinc/56/98/36/589569836.db2.gz GEXIWIJDLWXRAN-ONEGZZNKSA-N 1 2 238.331 0.934 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H](F)C1 ZINC000868635489 589569994 /nfs/dbraw/zinc/56/99/94/589569994.db2.gz LDPHHMBMKNKQPV-GXFZAYBSSA-N 1 2 242.294 0.445 20 0 BCADLO CS[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868655811 589570503 /nfs/dbraw/zinc/57/05/03/589570503.db2.gz UXIOZJAALMSKJC-CBAPKCEASA-N 1 2 241.316 0.407 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H](F)C1 ZINC000868686290 589573061 /nfs/dbraw/zinc/57/30/61/589573061.db2.gz XABYNLZKSXVOBX-XPUUQOCRSA-N 1 2 213.212 0.014 20 0 BCADLO O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCOC1 ZINC000868688782 589573065 /nfs/dbraw/zinc/57/30/65/589573065.db2.gz FIJRBAIEIAUGDP-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCOC1 ZINC000868688782 589573066 /nfs/dbraw/zinc/57/30/66/589573066.db2.gz FIJRBAIEIAUGDP-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO CCC1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868833375 589578786 /nfs/dbraw/zinc/57/87/86/589578786.db2.gz OKKVEYMIYKMXPW-VIFPVBQESA-N 1 2 209.249 0.312 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CS2 ZINC000868855543 589579729 /nfs/dbraw/zinc/57/97/29/589579729.db2.gz FKRMINVWMHOMET-ACLDMZEESA-N 1 2 239.300 0.159 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CC12CC2 ZINC000868960324 589583649 /nfs/dbraw/zinc/58/36/49/589583649.db2.gz UPXMENLUAVLFDH-BVBSBALXSA-N 1 2 236.315 0.544 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCC(F)(F)C1 ZINC000869132729 589590123 /nfs/dbraw/zinc/59/01/23/589590123.db2.gz OIKUGPHUJGQTGL-QMMMGPOBSA-N 1 2 245.229 0.701 20 0 BCADLO Cc1nc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000122475529 589592358 /nfs/dbraw/zinc/59/23/58/589592358.db2.gz GNRABRWPDXMJOD-UHFFFAOYSA-N 1 2 221.220 0.005 20 0 BCADLO CC(C)(F)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869623181 589617551 /nfs/dbraw/zinc/61/75/51/589617551.db2.gz UNTYRJRRXFOXDZ-ARJAWSKDSA-N 1 2 244.310 0.739 20 0 BCADLO CCC[C@H](CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000869867644 589633491 /nfs/dbraw/zinc/63/34/91/589633491.db2.gz FNEQGNHWPHJBGW-SECBINFHSA-N 1 2 225.292 0.620 20 0 BCADLO COC/C=C/C(=O)OCc1c[nH+]cn1C ZINC000870220410 589648535 /nfs/dbraw/zinc/64/85/35/589648535.db2.gz WAXMCUYVTCCVSU-ONEGZZNKSA-N 1 2 210.233 0.666 20 0 BCADLO O=C(NC1COC1)c1cccc2[nH+]ccn21 ZINC000870868753 589692465 /nfs/dbraw/zinc/69/24/65/589692465.db2.gz OBPGTRCRPXFZDG-UHFFFAOYSA-N 1 2 217.228 0.463 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1C[C@H](OC)C1 ZINC000871734170 589800812 /nfs/dbraw/zinc/80/08/12/589800812.db2.gz AWBDGOFDIDSPPL-HLTSFMKQSA-N 1 2 216.281 0.945 20 0 BCADLO NC(COC1CCC1)=[NH+]OCCOCCO ZINC000871778579 589813544 /nfs/dbraw/zinc/81/35/44/589813544.db2.gz OIJWMWAYYRVFHZ-UHFFFAOYSA-N 1 2 232.280 0.063 20 0 BCADLO C[C@@H]1OC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000871781988 589816750 /nfs/dbraw/zinc/81/67/50/589816750.db2.gz VDZSARQNYKZRNX-LURJTMIESA-N 1 2 221.216 0.531 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCNC1=O ZINC000888596595 589893799 /nfs/dbraw/zinc/89/37/99/589893799.db2.gz BWEIFBPQEVCCKX-MRVPVSSYSA-N 1 2 249.270 0.555 20 0 BCADLO CN1CC[N@@H+]([C@@H]2CCNC2=O)Cc2cccnc21 ZINC000872317820 589910363 /nfs/dbraw/zinc/91/03/63/589910363.db2.gz CERKEJNVJICELT-LLVKDONJSA-N 1 2 246.314 0.222 20 0 BCADLO CN1CC[N@H+]([C@@H]2CCNC2=O)Cc2cccnc21 ZINC000872317820 589910366 /nfs/dbraw/zinc/91/03/66/589910366.db2.gz CERKEJNVJICELT-LLVKDONJSA-N 1 2 246.314 0.222 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC1OCCO1 ZINC000124120054 589944103 /nfs/dbraw/zinc/94/41/03/589944103.db2.gz MQRNCTWYPVBTIF-UHFFFAOYSA-N 1 2 231.292 0.681 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC ZINC000872644055 589958128 /nfs/dbraw/zinc/95/81/28/589958128.db2.gz GKANSSHUGKZVCE-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC ZINC000872644055 589958129 /nfs/dbraw/zinc/95/81/29/589958129.db2.gz GKANSSHUGKZVCE-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO O=C1CCCN1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872679674 589960848 /nfs/dbraw/zinc/96/08/48/589960848.db2.gz QTKDWOHOUMCLTO-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO O=C1CCCN1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872679674 589960849 /nfs/dbraw/zinc/96/08/49/589960849.db2.gz QTKDWOHOUMCLTO-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO Nc1cnc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000873210472 589994997 /nfs/dbraw/zinc/99/49/97/589994997.db2.gz HNISATBMHGORNH-GFCCVEGCSA-N 1 2 248.286 0.340 20 0 BCADLO Nc1cnc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000873210472 589994999 /nfs/dbraw/zinc/99/49/99/589994999.db2.gz HNISATBMHGORNH-GFCCVEGCSA-N 1 2 248.286 0.340 20 0 BCADLO C[C@@H](O)c1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000124900492 590098179 /nfs/dbraw/zinc/09/81/79/590098179.db2.gz NFNFILCNUBLNJA-MRVPVSSYSA-N 1 2 221.260 0.071 20 0 BCADLO CNC(=O)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124913871 590098959 /nfs/dbraw/zinc/09/89/59/590098959.db2.gz HIPJXCOBEMFNOP-MRVPVSSYSA-N 1 2 223.276 0.317 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)F ZINC000874708802 590124993 /nfs/dbraw/zinc/12/49/93/590124993.db2.gz YLOASBSASSRENK-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)F ZINC000874708802 590124996 /nfs/dbraw/zinc/12/49/96/590124996.db2.gz YLOASBSASSRENK-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC12CCC2 ZINC000874778059 590130170 /nfs/dbraw/zinc/13/01/70/590130170.db2.gz JKBQCAHPFNCCTB-VIFPVBQESA-N 1 2 205.261 0.942 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC(F)(F)C2)C1 ZINC000874855532 590148058 /nfs/dbraw/zinc/14/80/58/590148058.db2.gz YVTLVGXIAONHOS-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CC(F)(F)C2)C1 ZINC000874855532 590148059 /nfs/dbraw/zinc/14/80/59/590148059.db2.gz YVTLVGXIAONHOS-QMMMGPOBSA-N 1 2 248.273 0.621 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NOCC1CC1 ZINC000875619688 590166700 /nfs/dbraw/zinc/16/67/00/590166700.db2.gz RCBIHNSHHLBJTQ-UHFFFAOYSA-N 1 2 224.264 0.561 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)N1CC=CC1 ZINC000875628732 590167144 /nfs/dbraw/zinc/16/71/44/590167144.db2.gz ZRRHJTWSISMLQP-VIFPVBQESA-N 1 2 218.260 0.909 20 0 BCADLO CC1(NC(=O)N[C@H]2CCn3cc[nH+]c32)COC1 ZINC000875628467 590167161 /nfs/dbraw/zinc/16/71/61/590167161.db2.gz OUGHZXDMQAFGER-QMMMGPOBSA-N 1 2 236.275 0.416 20 0 BCADLO CCCONC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875689865 590168223 /nfs/dbraw/zinc/16/82/23/590168223.db2.gz XIZCBNLKQWMUCF-MRVPVSSYSA-N 1 2 224.264 0.449 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)NCc1c[nH+]cn1C ZINC000876305862 590194254 /nfs/dbraw/zinc/19/42/54/590194254.db2.gz WIWKSKCMTKGHJV-VIFPVBQESA-N 1 2 240.307 0.332 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000876589628 590219341 /nfs/dbraw/zinc/21/93/41/590219341.db2.gz NPCRPILJKZHTPX-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@H](O)C2)nn1 ZINC000876589628 590219342 /nfs/dbraw/zinc/21/93/42/590219342.db2.gz NPCRPILJKZHTPX-JTQLQIEISA-N 1 2 210.281 0.255 20 0 BCADLO CC[NH2+][C@H](C)C(=O)N=c1sccn1C ZINC000876706193 590232146 /nfs/dbraw/zinc/23/21/46/590232146.db2.gz JVNWPIBXXVUEER-SSDOTTSWSA-N 1 2 213.306 0.512 20 0 BCADLO OC[C@]12C[C@H]1C[N@H+](Cc1ccc(Cl)nn1)C2 ZINC000877461742 590331431 /nfs/dbraw/zinc/33/14/31/590331431.db2.gz JRBNCRFRHZBLNT-GZMMTYOYSA-N 1 2 239.706 0.944 20 0 BCADLO OC[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)nn1)C2 ZINC000877461742 590331434 /nfs/dbraw/zinc/33/14/34/590331434.db2.gz JRBNCRFRHZBLNT-GZMMTYOYSA-N 1 2 239.706 0.944 20 0 BCADLO CCCn1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000877462802 590332307 /nfs/dbraw/zinc/33/23/07/590332307.db2.gz VHTOZVGCNKAFQU-CMPLNLGQSA-N 1 2 236.319 0.502 20 0 BCADLO CCCn1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000877462802 590332310 /nfs/dbraw/zinc/33/23/10/590332310.db2.gz VHTOZVGCNKAFQU-CMPLNLGQSA-N 1 2 236.319 0.502 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000877470530 590335113 /nfs/dbraw/zinc/33/51/13/590335113.db2.gz FWGKQTZJETVDDC-VHSXEESVSA-N 1 2 237.303 0.949 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000877564350 590360645 /nfs/dbraw/zinc/36/06/45/590360645.db2.gz YLVRYNXKYWREMX-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000877564350 590360647 /nfs/dbraw/zinc/36/06/47/590360647.db2.gz YLVRYNXKYWREMX-JTQLQIEISA-N 1 2 246.261 0.500 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000877564351 590361191 /nfs/dbraw/zinc/36/11/91/590361191.db2.gz YLVRYNXKYWREMX-SNVBAGLBSA-N 1 2 246.261 0.500 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000877564351 590361192 /nfs/dbraw/zinc/36/11/92/590361192.db2.gz YLVRYNXKYWREMX-SNVBAGLBSA-N 1 2 246.261 0.500 20 0 BCADLO CCOC1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000877579831 590365029 /nfs/dbraw/zinc/36/50/29/590365029.db2.gz DSESAUHHIPGWDK-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@](C)(C[NH+]1CC2(C1)CN(C)C(=O)O2)OC ZINC000877595785 590370108 /nfs/dbraw/zinc/37/01/08/590370108.db2.gz HZSGKAUWAWOCHB-LLVKDONJSA-N 1 2 242.319 0.938 20 0 BCADLO CCONC(=O)C[NH2+][C@H](C)Cc1cnccn1 ZINC000877613873 590373592 /nfs/dbraw/zinc/37/35/92/590373592.db2.gz RTPWYTKOPCFFPH-SECBINFHSA-N 1 2 238.291 0.065 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000877613538 590373609 /nfs/dbraw/zinc/37/36/09/590373609.db2.gz LPRQQPZNHYITNU-HTQZYQBOSA-N 1 2 218.322 0.538 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000877642415 590382943 /nfs/dbraw/zinc/38/29/43/590382943.db2.gz KSSSAMWJDBFMBJ-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000877642415 590382947 /nfs/dbraw/zinc/38/29/47/590382947.db2.gz KSSSAMWJDBFMBJ-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000877722891 590401699 /nfs/dbraw/zinc/40/16/99/590401699.db2.gz OYSFEZXGOJEMET-QRTLGDNMSA-N 1 2 235.287 0.841 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c(Cl)n1 ZINC000877749979 590413948 /nfs/dbraw/zinc/41/39/48/590413948.db2.gz FJJJUNQKJPNPPQ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(Cl)n1 ZINC000877749979 590413949 /nfs/dbraw/zinc/41/39/49/590413949.db2.gz FJJJUNQKJPNPPQ-BDAKNGLRSA-N 1 2 245.710 0.001 20 0 BCADLO CCC[C@@H](C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877771049 590421873 /nfs/dbraw/zinc/42/18/73/590421873.db2.gz OTTYIVBJGWVEFW-VIFPVBQESA-N 1 2 231.292 0.021 20 0 BCADLO O=C1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCN1 ZINC000877905716 590444370 /nfs/dbraw/zinc/44/43/70/590444370.db2.gz BVUHMYPIDCPYNA-GARJFASQSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCN1 ZINC000877905716 590444371 /nfs/dbraw/zinc/44/43/71/590444371.db2.gz BVUHMYPIDCPYNA-GARJFASQSA-N 1 2 224.304 0.376 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000877921141 590447236 /nfs/dbraw/zinc/44/72/36/590447236.db2.gz FAOUDGQKXFASQT-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000877921141 590447238 /nfs/dbraw/zinc/44/72/38/590447238.db2.gz FAOUDGQKXFASQT-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000877935639 590452337 /nfs/dbraw/zinc/45/23/37/590452337.db2.gz PWMVLCQPVKUBGC-NSHDSACASA-N 1 2 249.314 0.785 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000877935639 590452339 /nfs/dbraw/zinc/45/23/39/590452339.db2.gz PWMVLCQPVKUBGC-NSHDSACASA-N 1 2 249.314 0.785 20 0 BCADLO O=C(COC1CC1)NCCCn1cc[nH+]c1 ZINC000877949332 590454702 /nfs/dbraw/zinc/45/47/02/590454702.db2.gz BIVYQTNXCVHQPM-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H](O)CC(C)(C)O)no1 ZINC000877956920 590457544 /nfs/dbraw/zinc/45/75/44/590457544.db2.gz DBNPOVDZODNQLD-NSHDSACASA-N 1 2 242.319 0.937 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H](O)CC(C)(C)O)no1 ZINC000877956920 590457546 /nfs/dbraw/zinc/45/75/46/590457546.db2.gz DBNPOVDZODNQLD-NSHDSACASA-N 1 2 242.319 0.937 20 0 BCADLO CCC[N@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC000878014873 590471419 /nfs/dbraw/zinc/47/14/19/590471419.db2.gz ZKONHDPYARHXBK-UHFFFAOYSA-N 1 2 235.291 0.270 20 0 BCADLO CCC[N@@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC000878014873 590471422 /nfs/dbraw/zinc/47/14/22/590471422.db2.gz ZKONHDPYARHXBK-UHFFFAOYSA-N 1 2 235.291 0.270 20 0 BCADLO Cc1cc(NC(=O)C[C@H]2CCNC2=O)cc[nH+]1 ZINC000878009369 590471925 /nfs/dbraw/zinc/47/19/25/590471925.db2.gz YDLBPQFQJVEJRJ-SECBINFHSA-N 1 2 233.271 0.277 20 0 BCADLO CCOC(=O)C[N@H+](C)CC[C@@H](O)C(C)C ZINC000878019937 590472959 /nfs/dbraw/zinc/47/29/59/590472959.db2.gz CWKJLPNZBDOUDD-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO CCOC(=O)C[N@@H+](C)CC[C@@H](O)C(C)C ZINC000878019937 590472962 /nfs/dbraw/zinc/47/29/62/590472962.db2.gz CWKJLPNZBDOUDD-SNVBAGLBSA-N 1 2 217.309 0.888 20 0 BCADLO Cc1conc1C[N@@H+]1CCNC(=O)CC1 ZINC000878050489 590482583 /nfs/dbraw/zinc/48/25/83/590482583.db2.gz XKQFCDTWYPYUTC-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO Cc1conc1C[N@H+]1CCNC(=O)CC1 ZINC000878050489 590482585 /nfs/dbraw/zinc/48/25/85/590482585.db2.gz XKQFCDTWYPYUTC-UHFFFAOYSA-N 1 2 209.249 0.305 20 0 BCADLO O=C(COC1CC1)NCCNc1cccc[nH+]1 ZINC000878081960 590488521 /nfs/dbraw/zinc/48/85/21/590488521.db2.gz UEWXAHNLVLWPIF-UHFFFAOYSA-N 1 2 235.287 0.789 20 0 BCADLO CC(C)[C@H](O)CC[NH+]1CCS(=O)CC1 ZINC000878092931 590490735 /nfs/dbraw/zinc/49/07/35/590490735.db2.gz BVAKLSUZCQRYME-SNVBAGLBSA-N 1 2 219.350 0.458 20 0 BCADLO C[N@H+](CCn1cnnn1)Cc1nccs1 ZINC000878156044 590509473 /nfs/dbraw/zinc/50/94/73/590509473.db2.gz NYBSQDAHAYKACP-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO C[N@@H+](CCn1cnnn1)Cc1nccs1 ZINC000878156044 590509474 /nfs/dbraw/zinc/50/94/74/590509474.db2.gz NYBSQDAHAYKACP-UHFFFAOYSA-N 1 2 224.293 0.262 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](CCc3cnccn3)CCN12 ZINC000878193991 590521714 /nfs/dbraw/zinc/52/17/14/590521714.db2.gz DBEQLPNDAINVFE-NSHDSACASA-N 1 2 248.286 0.156 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](CCc3cnccn3)CCN12 ZINC000878193991 590521716 /nfs/dbraw/zinc/52/17/16/590521716.db2.gz DBEQLPNDAINVFE-NSHDSACASA-N 1 2 248.286 0.156 20 0 BCADLO CC(C)[N@H+](CCn1cnnn1)CC(F)F ZINC000878201184 590524291 /nfs/dbraw/zinc/52/42/91/590524291.db2.gz ZBQOTAQWSRJFEK-UHFFFAOYSA-N 1 2 219.239 0.649 20 0 BCADLO CC(C)[N@@H+](CCn1cnnn1)CC(F)F ZINC000878201184 590524293 /nfs/dbraw/zinc/52/42/93/590524293.db2.gz ZBQOTAQWSRJFEK-UHFFFAOYSA-N 1 2 219.239 0.649 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000878262050 590530380 /nfs/dbraw/zinc/53/03/80/590530380.db2.gz HLTXMBZWIIEHIQ-DCAQKATOSA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000878262050 590530382 /nfs/dbraw/zinc/53/03/82/590530382.db2.gz HLTXMBZWIIEHIQ-DCAQKATOSA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2C[C@@H](OC)C2)CCOC1 ZINC000878334090 590548507 /nfs/dbraw/zinc/54/85/07/590548507.db2.gz OCOLWPPCKKJLTI-UMNHJUIQSA-N 1 2 243.303 0.333 20 0 BCADLO Cc1conc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000878395988 590559618 /nfs/dbraw/zinc/55/96/18/590559618.db2.gz HVUIKWCXMNYADY-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO Cc1conc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000878395988 590559620 /nfs/dbraw/zinc/55/96/20/590559620.db2.gz HVUIKWCXMNYADY-LLVKDONJSA-N 1 2 226.276 0.566 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000878464237 590567296 /nfs/dbraw/zinc/56/72/96/590567296.db2.gz SBEJDINTAGUASV-LBPRGKRZSA-N 1 2 237.303 0.571 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@@]12CCOC2=O ZINC000878464237 590567298 /nfs/dbraw/zinc/56/72/98/590567298.db2.gz SBEJDINTAGUASV-LBPRGKRZSA-N 1 2 237.303 0.571 20 0 BCADLO O=C1N=NC2C[N@H+](CCCC3CC3)CCN12 ZINC000878433085 590567663 /nfs/dbraw/zinc/56/76/63/590567663.db2.gz RRRQXADNHRVUPF-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1N=NC2C[N@@H+](CCCC3CC3)CCN12 ZINC000878433085 590567666 /nfs/dbraw/zinc/56/76/66/590567666.db2.gz RRRQXADNHRVUPF-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CCCC1CC1)C2 ZINC000878433085 590567669 /nfs/dbraw/zinc/56/76/69/590567669.db2.gz RRRQXADNHRVUPF-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CCCC1CC1)C2 ZINC000878433085 590567670 /nfs/dbraw/zinc/56/76/70/590567670.db2.gz RRRQXADNHRVUPF-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1OCC[C@@]12CCC[N@@H+]2CCc1cnccn1 ZINC000878464325 590571859 /nfs/dbraw/zinc/57/18/59/590571859.db2.gz VNTKRUGRCIUJCN-ZDUSSCGKSA-N 1 2 247.298 0.801 20 0 BCADLO O=C1OCC[C@@]12CCC[N@H+]2CCc1cnccn1 ZINC000878464325 590571862 /nfs/dbraw/zinc/57/18/62/590571862.db2.gz VNTKRUGRCIUJCN-ZDUSSCGKSA-N 1 2 247.298 0.801 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC000878481973 590576334 /nfs/dbraw/zinc/57/63/34/590576334.db2.gz IKIWRVJESUWPBA-MFKMUULPSA-N 1 2 249.314 0.836 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC000878481973 590576335 /nfs/dbraw/zinc/57/63/35/590576335.db2.gz IKIWRVJESUWPBA-MFKMUULPSA-N 1 2 249.314 0.836 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878533499 590587739 /nfs/dbraw/zinc/58/77/39/590587739.db2.gz PUCKGLRBVNJWOY-IUCAKERBSA-N 1 2 247.302 0.411 20 0 BCADLO Cn1nnnc1CC[N@@H+]1Cc2cccnc2C1 ZINC000878548275 590590906 /nfs/dbraw/zinc/59/09/06/590590906.db2.gz ILZDOEBXWKJJMR-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO Cn1nnnc1CC[N@H+]1Cc2cccnc2C1 ZINC000878548275 590590907 /nfs/dbraw/zinc/59/09/07/590590907.db2.gz ILZDOEBXWKJJMR-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO CC1=CCC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878548810 590590959 /nfs/dbraw/zinc/59/09/59/590590959.db2.gz URHKEMGWIVSQLY-UHFFFAOYSA-N 1 2 245.286 0.570 20 0 BCADLO CC1=CCC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC000878548810 590590961 /nfs/dbraw/zinc/59/09/61/590590961.db2.gz URHKEMGWIVSQLY-UHFFFAOYSA-N 1 2 245.286 0.570 20 0 BCADLO C[C@@]1([NH2+]CCc2ccccn2)CCOC1=O ZINC000878631369 590597905 /nfs/dbraw/zinc/59/79/05/590597905.db2.gz FKBRHVUTGKKRPJ-GFCCVEGCSA-N 1 2 220.272 0.919 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878651641 590602296 /nfs/dbraw/zinc/60/22/96/590602296.db2.gz BYBVFAYALAXDFE-JGVFFNPUSA-N 1 2 233.275 0.258 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878651641 590602297 /nfs/dbraw/zinc/60/22/97/590602297.db2.gz BYBVFAYALAXDFE-JGVFFNPUSA-N 1 2 233.275 0.258 20 0 BCADLO CC1(C)OCC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878664528 590606080 /nfs/dbraw/zinc/60/60/80/590606080.db2.gz KMRWVIJMQQIYCR-MRVPVSSYSA-N 1 2 248.348 0.398 20 0 BCADLO CON1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000878685800 590609505 /nfs/dbraw/zinc/60/95/05/590609505.db2.gz MYRKNZRAABYBGT-UHFFFAOYSA-N 1 2 224.308 0.706 20 0 BCADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726812 590616577 /nfs/dbraw/zinc/61/65/77/590616577.db2.gz VUHGFJIUFLBEGS-QMMMGPOBSA-N 1 2 229.280 0.614 20 0 BCADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726812 590616578 /nfs/dbraw/zinc/61/65/78/590616578.db2.gz VUHGFJIUFLBEGS-QMMMGPOBSA-N 1 2 229.280 0.614 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CCF ZINC000878751588 590618890 /nfs/dbraw/zinc/61/88/90/590618890.db2.gz BGZUXIUEQLPZFA-IWSPIJDZSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CCF ZINC000878751588 590618891 /nfs/dbraw/zinc/61/88/91/590618891.db2.gz BGZUXIUEQLPZFA-IWSPIJDZSA-N 1 2 202.273 0.895 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878790793 590622422 /nfs/dbraw/zinc/62/24/22/590622422.db2.gz WVRGLVGFROBSSZ-UHFFFAOYSA-N 1 2 202.685 0.903 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878790793 590622423 /nfs/dbraw/zinc/62/24/23/590622423.db2.gz WVRGLVGFROBSSZ-UHFFFAOYSA-N 1 2 202.685 0.903 20 0 BCADLO CCNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793166 590624037 /nfs/dbraw/zinc/62/40/37/590624037.db2.gz HQYIXMSOCPEGMR-UHFFFAOYSA-N 1 2 202.685 0.951 20 0 BCADLO CCNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793166 590624040 /nfs/dbraw/zinc/62/40/40/590624040.db2.gz HQYIXMSOCPEGMR-UHFFFAOYSA-N 1 2 202.685 0.951 20 0 BCADLO CC[N@H+]1[C@H](C)CN(CC[S@](C)=O)C[C@@H]1C ZINC000878835457 590629453 /nfs/dbraw/zinc/62/94/53/590629453.db2.gz HZKBWDNDKKUPOJ-RWSFTLGLSA-N 1 2 232.393 0.779 20 0 BCADLO CC[N@@H+]1[C@H](C)CN(CC[S@](C)=O)C[C@@H]1C ZINC000878835457 590629455 /nfs/dbraw/zinc/62/94/55/590629455.db2.gz HZKBWDNDKKUPOJ-RWSFTLGLSA-N 1 2 232.393 0.779 20 0 BCADLO Cc1noc([C@@H](C)[N@H+](C)CCn2cnnn2)n1 ZINC000878847124 590632772 /nfs/dbraw/zinc/63/27/72/590632772.db2.gz ZSTSXPRGRWOJST-SSDOTTSWSA-N 1 2 237.267 0.058 20 0 BCADLO Cc1noc([C@@H](C)[N@@H+](C)CCn2cnnn2)n1 ZINC000878847124 590632775 /nfs/dbraw/zinc/63/27/75/590632775.db2.gz ZSTSXPRGRWOJST-SSDOTTSWSA-N 1 2 237.267 0.058 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000879046238 590685568 /nfs/dbraw/zinc/68/55/68/590685568.db2.gz SYKYNFNRJCRUFV-JTQLQIEISA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@@H](F)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000879046238 590685569 /nfs/dbraw/zinc/68/55/69/590685569.db2.gz SYKYNFNRJCRUFV-JTQLQIEISA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2ccon2)CC1 ZINC000879043176 590685614 /nfs/dbraw/zinc/68/56/14/590685614.db2.gz FYXPPPBTNBLTSL-SNVBAGLBSA-N 1 2 241.266 0.710 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000879072483 590691932 /nfs/dbraw/zinc/69/19/32/590691932.db2.gz BDBHVPAVENOWCE-SCZZXKLOSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1cc(NC(=O)N[C@@H]2COC(=O)C2)c(C)c[nH+]1 ZINC000879073626 590692937 /nfs/dbraw/zinc/69/29/37/590692937.db2.gz GNPLXQOUWDHEND-VIFPVBQESA-N 1 2 249.270 0.557 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)n1 ZINC000879150316 590703384 /nfs/dbraw/zinc/70/33/84/590703384.db2.gz VLJKJQBGHMNFBX-PWSUYJOCSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)n1 ZINC000879150316 590703385 /nfs/dbraw/zinc/70/33/85/590703385.db2.gz VLJKJQBGHMNFBX-PWSUYJOCSA-N 1 2 238.335 0.891 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnsn2)[C@](C)(CO)C1 ZINC000879262616 590724053 /nfs/dbraw/zinc/72/40/53/590724053.db2.gz WLXDMHUVDSFWKL-ZJUUUORDSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnsn2)[C@](C)(CO)C1 ZINC000879262616 590724054 /nfs/dbraw/zinc/72/40/54/590724054.db2.gz WLXDMHUVDSFWKL-ZJUUUORDSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cnn(C)n2)C1 ZINC000879325827 590746153 /nfs/dbraw/zinc/74/61/53/590746153.db2.gz ODRHBTXPVYHGKY-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cnn(C)n2)C1 ZINC000879325827 590746155 /nfs/dbraw/zinc/74/61/55/590746155.db2.gz ODRHBTXPVYHGKY-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cnsn1 ZINC000879548526 590798087 /nfs/dbraw/zinc/79/80/87/590798087.db2.gz HLOKHNWJXKBNJT-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)[nH]1 ZINC000879563379 590802007 /nfs/dbraw/zinc/80/20/07/590802007.db2.gz SJCQAXLNNYXSBA-JGVFFNPUSA-N 1 2 240.332 0.695 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)[nH]1 ZINC000879563379 590802010 /nfs/dbraw/zinc/80/20/10/590802010.db2.gz SJCQAXLNNYXSBA-JGVFFNPUSA-N 1 2 240.332 0.695 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cccc(F)n2)C[C@@H]1O ZINC000879609038 590828163 /nfs/dbraw/zinc/82/81/63/590828163.db2.gz KOWUJQBNSBEANU-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C[C@@H]1O ZINC000879609038 590828165 /nfs/dbraw/zinc/82/81/65/590828165.db2.gz KOWUJQBNSBEANU-ZJUUUORDSA-N 1 2 226.251 0.148 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cn(C)nn1 ZINC000879621147 590834291 /nfs/dbraw/zinc/83/42/91/590834291.db2.gz NOVKGKPDMINJOP-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BCADLO CC(C)(O)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000879627866 590840508 /nfs/dbraw/zinc/84/05/08/590840508.db2.gz VVDRFJCIQMDHEE-UHFFFAOYSA-N 1 2 240.307 0.493 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccnn2C)C1=O ZINC000879686760 590848392 /nfs/dbraw/zinc/84/83/92/590848392.db2.gz ILWCBYYULHBTAG-DTWKUNHWSA-N 1 2 238.291 0.233 20 0 BCADLO CSCC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879942468 590893745 /nfs/dbraw/zinc/89/37/45/590893745.db2.gz MMWURUQMFWTBDI-AWEZNQCLSA-N 1 2 237.394 0.559 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000879964468 590899960 /nfs/dbraw/zinc/89/99/60/590899960.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000879964468 590899964 /nfs/dbraw/zinc/89/99/64/590899964.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000879964468 590899966 /nfs/dbraw/zinc/89/99/66/590899966.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000879964468 590899970 /nfs/dbraw/zinc/89/99/70/590899970.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000879964468 590899975 /nfs/dbraw/zinc/89/99/75/590899975.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000879964468 590899976 /nfs/dbraw/zinc/89/99/76/590899976.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 1 2 224.308 0.788 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879968105 590901589 /nfs/dbraw/zinc/90/15/89/590901589.db2.gz IJNIUXRQNFQLFB-JTQLQIEISA-N 1 2 245.319 0.005 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](C)CO ZINC000879982919 590902496 /nfs/dbraw/zinc/90/24/96/590902496.db2.gz PIOGTNMBLCTUFS-MWLCHTKSSA-N 1 2 229.320 0.936 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880045375 590913759 /nfs/dbraw/zinc/91/37/59/590913759.db2.gz LLMRMBSBEDISAO-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880045375 590913761 /nfs/dbraw/zinc/91/37/61/590913761.db2.gz LLMRMBSBEDISAO-ZETCQYMHSA-N 1 2 240.225 0.386 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H](C(F)(F)F)O1 ZINC000880055483 590914958 /nfs/dbraw/zinc/91/49/58/590914958.db2.gz ZGNNTKBCORJQLB-NKWVEPMBSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H](C(F)(F)F)O1 ZINC000880055483 590914960 /nfs/dbraw/zinc/91/49/60/590914960.db2.gz ZGNNTKBCORJQLB-NKWVEPMBSA-N 1 2 240.225 0.513 20 0 BCADLO C[Si](C)(C)C[N@H+]1CC(=O)NCC12COC2 ZINC000880161475 590947652 /nfs/dbraw/zinc/94/76/52/590947652.db2.gz HBLJWOZFIYOTSO-UHFFFAOYSA-N 1 2 228.368 0.065 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000880149223 590946232 /nfs/dbraw/zinc/94/62/32/590946232.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000880149223 590946233 /nfs/dbraw/zinc/94/62/33/590946233.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000880149223 590946234 /nfs/dbraw/zinc/94/62/34/590946234.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000880149223 590946236 /nfs/dbraw/zinc/94/62/36/590946236.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000880149223 590946238 /nfs/dbraw/zinc/94/62/38/590946238.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000880149223 590946239 /nfs/dbraw/zinc/94/62/39/590946239.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 1 2 210.281 0.398 20 0 BCADLO C[Si](C)(C)C[N@@H+]1CC(=O)NCC12COC2 ZINC000880161475 590947648 /nfs/dbraw/zinc/94/76/48/590947648.db2.gz HBLJWOZFIYOTSO-UHFFFAOYSA-N 1 2 228.368 0.065 20 0 BCADLO Cc1ncc(CC(=O)NOCC[NH+](C)C)o1 ZINC000880163618 590947863 /nfs/dbraw/zinc/94/78/63/590947863.db2.gz NAFGPIIOHGOUQB-UHFFFAOYSA-N 1 2 227.264 0.135 20 0 BCADLO O=C1CC2(CCC2)[N@H+](Cc2cnon2)CCN1 ZINC000880167980 590948459 /nfs/dbraw/zinc/94/84/59/590948459.db2.gz WGUUTVCVEZNYEF-UHFFFAOYSA-N 1 2 236.275 0.314 20 0 BCADLO O=C1CC2(CCC2)[N@@H+](Cc2cnon2)CCN1 ZINC000880167980 590948463 /nfs/dbraw/zinc/94/84/63/590948463.db2.gz WGUUTVCVEZNYEF-UHFFFAOYSA-N 1 2 236.275 0.314 20 0 BCADLO COC(=O)[C@@H]1CC(F)(F)CN1Cc1c[nH+]c[nH]1 ZINC000880331083 591006744 /nfs/dbraw/zinc/00/67/44/591006744.db2.gz CETUPINDIJAFBK-QMMMGPOBSA-N 1 2 245.229 0.792 20 0 BCADLO COC(=O)[C@@H]1CC(F)(F)CN1Cc1c[nH]c[nH+]1 ZINC000880331083 591006748 /nfs/dbraw/zinc/00/67/48/591006748.db2.gz CETUPINDIJAFBK-QMMMGPOBSA-N 1 2 245.229 0.792 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](C)OC)C1CCOCC1 ZINC000880339129 591007722 /nfs/dbraw/zinc/00/77/22/591007722.db2.gz JCBPNZFDVNXBQA-MWLCHTKSSA-N 1 2 245.319 0.579 20 0 BCADLO O=C(C[NH2+]C1(c2ncccn2)CCC1)N1CCC1 ZINC000880364656 591010283 /nfs/dbraw/zinc/01/02/83/591010283.db2.gz MBXVJUBNPBSEMW-UHFFFAOYSA-N 1 2 246.314 0.678 20 0 BCADLO O=C1CC[N@H+](Cc2ccccn2)C2(COC2)CN1 ZINC000880399303 591020659 /nfs/dbraw/zinc/02/06/59/591020659.db2.gz MDWQGPMUSMUVRU-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO O=C1CC[N@@H+](Cc2ccccn2)C2(COC2)CN1 ZINC000880399303 591020663 /nfs/dbraw/zinc/02/06/63/591020663.db2.gz MDWQGPMUSMUVRU-UHFFFAOYSA-N 1 2 247.298 0.173 20 0 BCADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)OCc1ccccc1 ZINC000880417201 591025870 /nfs/dbraw/zinc/02/58/70/591025870.db2.gz IPAYOXWRNXKVCE-TZMCWYRMSA-N 1 2 247.294 0.796 20 0 BCADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)OCc1ccccc1 ZINC000880417201 591025873 /nfs/dbraw/zinc/02/58/73/591025873.db2.gz IPAYOXWRNXKVCE-TZMCWYRMSA-N 1 2 247.294 0.796 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000880419710 591028906 /nfs/dbraw/zinc/02/89/06/591028906.db2.gz OYQYRXQLBLQILI-GMSGAONNSA-N 1 2 225.679 0.697 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000880419710 591028909 /nfs/dbraw/zinc/02/89/09/591028909.db2.gz OYQYRXQLBLQILI-GMSGAONNSA-N 1 2 225.679 0.697 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1nc(C)no1 ZINC000880424023 591031120 /nfs/dbraw/zinc/03/11/20/591031120.db2.gz FILUEKFLKQOBKU-ZJUUUORDSA-N 1 2 241.291 0.614 20 0 BCADLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000880424023 591031124 /nfs/dbraw/zinc/03/11/24/591031124.db2.gz FILUEKFLKQOBKU-ZJUUUORDSA-N 1 2 241.291 0.614 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880485494 591058036 /nfs/dbraw/zinc/05/80/36/591058036.db2.gz DLKCMCLQQJSNJH-SNVBAGLBSA-N 1 2 233.333 0.042 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CC=C[C@@H]1CO ZINC000880485494 591058040 /nfs/dbraw/zinc/05/80/40/591058040.db2.gz DLKCMCLQQJSNJH-SNVBAGLBSA-N 1 2 233.333 0.042 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC=C[C@H]1CO ZINC000880486176 591060152 /nfs/dbraw/zinc/06/01/52/591060152.db2.gz LJFBAIFTPKQEAH-UWVGGRQHSA-N 1 2 213.277 0.561 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC=C[C@H]1CO ZINC000880486176 591060155 /nfs/dbraw/zinc/06/01/55/591060155.db2.gz LJFBAIFTPKQEAH-UWVGGRQHSA-N 1 2 213.277 0.561 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880487102 591062949 /nfs/dbraw/zinc/06/29/49/591062949.db2.gz WPZIDKONHMQLEP-JTQLQIEISA-N 1 2 233.333 0.044 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CC=C[C@H]1CO ZINC000880487102 591062953 /nfs/dbraw/zinc/06/29/53/591062953.db2.gz WPZIDKONHMQLEP-JTQLQIEISA-N 1 2 233.333 0.044 20 0 BCADLO O=C(C[N@H+]1CC=C[C@H]1CO)OCc1ccccc1 ZINC000880486921 591064431 /nfs/dbraw/zinc/06/44/31/591064431.db2.gz QVKJVFXNOHIPJK-ZDUSSCGKSA-N 1 2 247.294 0.963 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@H]1CO)OCc1ccccc1 ZINC000880486921 591064436 /nfs/dbraw/zinc/06/44/36/591064436.db2.gz QVKJVFXNOHIPJK-ZDUSSCGKSA-N 1 2 247.294 0.963 20 0 BCADLO Cn1cccc1C(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880487060 591065024 /nfs/dbraw/zinc/06/50/24/591065024.db2.gz HQLFCNIRBCHXDC-JTQLQIEISA-N 1 2 220.272 0.441 20 0 BCADLO Cn1cccc1C(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880487060 591065028 /nfs/dbraw/zinc/06/50/28/591065028.db2.gz HQLFCNIRBCHXDC-JTQLQIEISA-N 1 2 220.272 0.441 20 0 BCADLO COC(=O)c1cccc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880491429 591068401 /nfs/dbraw/zinc/06/84/01/591068401.db2.gz JGCXRXHHFNLZAX-LLVKDONJSA-N 1 2 248.282 0.601 20 0 BCADLO COC(=O)c1cccc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880491429 591068406 /nfs/dbraw/zinc/06/84/06/591068406.db2.gz JGCXRXHHFNLZAX-LLVKDONJSA-N 1 2 248.282 0.601 20 0 BCADLO Cc1cccnc1NC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880495068 591073027 /nfs/dbraw/zinc/07/30/27/591073027.db2.gz ZDKUGTMVJMNDCG-NSHDSACASA-N 1 2 247.298 0.561 20 0 BCADLO Cc1cccnc1NC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880495068 591073030 /nfs/dbraw/zinc/07/30/30/591073030.db2.gz ZDKUGTMVJMNDCG-NSHDSACASA-N 1 2 247.298 0.561 20 0 BCADLO OC[C@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000880494861 591073837 /nfs/dbraw/zinc/07/38/37/591073837.db2.gz UZVJVEUUUYRUTJ-CYBMUJFWSA-N 1 2 233.315 0.952 20 0 BCADLO OC[C@H]1C=CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000880494861 591073839 /nfs/dbraw/zinc/07/38/39/591073839.db2.gz UZVJVEUUUYRUTJ-CYBMUJFWSA-N 1 2 233.315 0.952 20 0 BCADLO c1nonc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880547876 591088293 /nfs/dbraw/zinc/08/82/93/591088293.db2.gz FWBXREXZWLGEBR-UHFFFAOYSA-N 1 2 239.275 0.451 20 0 BCADLO CN(C(=O)C[N@@H+]1CCc2ncncc2C1)C1CC1 ZINC000880595682 591105276 /nfs/dbraw/zinc/10/52/76/591105276.db2.gz UTDWDNBQIKUNPP-UHFFFAOYSA-N 1 2 246.314 0.456 20 0 BCADLO CN(C(=O)C[N@H+]1CCc2ncncc2C1)C1CC1 ZINC000880595682 591105280 /nfs/dbraw/zinc/10/52/80/591105280.db2.gz UTDWDNBQIKUNPP-UHFFFAOYSA-N 1 2 246.314 0.456 20 0 BCADLO Cn1ncc(C[N@@H+]2CCc3ncncc3C2)n1 ZINC000880599150 591108691 /nfs/dbraw/zinc/10/86/91/591108691.db2.gz GWMDBHXFGJJYJO-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO Cn1ncc(C[N@H+]2CCc3ncncc3C2)n1 ZINC000880599150 591108695 /nfs/dbraw/zinc/10/86/95/591108695.db2.gz GWMDBHXFGJJYJO-UHFFFAOYSA-N 1 2 230.275 0.163 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)NC3CC3)cc2C1 ZINC000880811008 591143903 /nfs/dbraw/zinc/14/39/03/591143903.db2.gz ZEHKMBVROAXMPB-UHFFFAOYSA-N 1 2 235.291 0.612 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)NC3CC3)cc2C1 ZINC000880811008 591143907 /nfs/dbraw/zinc/14/39/07/591143907.db2.gz ZEHKMBVROAXMPB-UHFFFAOYSA-N 1 2 235.291 0.612 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(N)cc2O)CC1 ZINC000211441040 591172845 /nfs/dbraw/zinc/17/28/45/591172845.db2.gz CMENFYXTRLSIQI-UHFFFAOYSA-N 1 2 235.287 0.362 20 0 BCADLO O=S(=O)(NCCCn1cc[nH+]c1)C1CCC1 ZINC000881733727 591268280 /nfs/dbraw/zinc/26/82/80/591268280.db2.gz YVNIRYFAPGCYMQ-UHFFFAOYSA-N 1 2 243.332 0.745 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(C=O)cn1 ZINC000881801515 591271591 /nfs/dbraw/zinc/27/15/91/591271591.db2.gz JUGRIGXVWFRBIB-VIFPVBQESA-N 1 2 231.259 0.986 20 0 BCADLO CCN(C(C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881847966 591274488 /nfs/dbraw/zinc/27/44/88/591274488.db2.gz RNCFDMBOXADEOH-UHFFFAOYSA-N 1 2 245.348 0.943 20 0 BCADLO C[S@](=O)CCCNc1cc(CO)cc[nH+]1 ZINC000881962384 591284021 /nfs/dbraw/zinc/28/40/21/591284021.db2.gz AGZBSBZHXLDHNQ-HNNXBMFYSA-N 1 2 228.317 0.754 20 0 BCADLO CCN(CC(=O)NC)c1cc[nH+]cc1F ZINC000882046968 591291732 /nfs/dbraw/zinc/29/17/32/591291732.db2.gz JTMVYTJHGBLJAL-UHFFFAOYSA-N 1 2 211.240 0.793 20 0 BCADLO O=C1OC[C@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000882099377 591297989 /nfs/dbraw/zinc/29/79/89/591297989.db2.gz MZTJVRLBYHHNOT-MRVPVSSYSA-N 1 2 237.234 0.862 20 0 BCADLO Cc1[nH+]cnc(NCC2(CO)COC2)c1C ZINC000882122309 591301805 /nfs/dbraw/zinc/30/18/05/591301805.db2.gz XSHGWRXGVRFONL-UHFFFAOYSA-N 1 2 223.276 0.514 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](C)S(C)(=O)=O)c1C ZINC000882131938 591303758 /nfs/dbraw/zinc/30/37/58/591303758.db2.gz UVJPEJHMUMBVPX-ZETCQYMHSA-N 1 2 243.332 0.938 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2CNC(=O)C2)c1C ZINC000882166313 591309552 /nfs/dbraw/zinc/30/95/52/591309552.db2.gz NLHIPHXSJBJWCG-MRVPVSSYSA-N 1 2 206.249 0.394 20 0 BCADLO Cc1[nH+]cnc(N(C)C[C@H](C)c2nn[nH]n2)c1C ZINC000882181800 591312145 /nfs/dbraw/zinc/31/21/45/591312145.db2.gz KSUIYDJBGLAFRG-ZETCQYMHSA-N 1 2 247.306 0.846 20 0 BCADLO OCc1cc[nH+]c(N2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000882237855 591319236 /nfs/dbraw/zinc/31/92/36/591319236.db2.gz JXVYDEOXFZDDNM-CMPLNLGQSA-N 1 2 220.272 0.393 20 0 BCADLO OCc1cc[nH+]c(N2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000882237857 591319463 /nfs/dbraw/zinc/31/94/63/591319463.db2.gz JXVYDEOXFZDDNM-PWSUYJOCSA-N 1 2 220.272 0.393 20 0 BCADLO Cc1[nH+]cnc(NCC(=O)NCC(F)F)c1C ZINC000882295612 591327119 /nfs/dbraw/zinc/32/71/19/591327119.db2.gz UWBZCOWUSUWYPG-UHFFFAOYSA-N 1 2 244.245 0.887 20 0 BCADLO Cc1[nH+]cnc(NCCn2cnnc2)c1C ZINC000882408155 591344398 /nfs/dbraw/zinc/34/43/98/591344398.db2.gz BTOFGTDQFDOOTF-UHFFFAOYSA-N 1 2 218.264 0.797 20 0 BCADLO C[C@H](O)c1ccc(N2CCC[C@@H](C(N)=O)C2)[nH+]c1 ZINC000213221485 591456405 /nfs/dbraw/zinc/45/64/05/591456405.db2.gz HWVITHYRQSCWTE-GXSJLCMTSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@H](O)c1ccc(N2CCN(C)C(=O)C2)[nH+]c1 ZINC000213293699 591459990 /nfs/dbraw/zinc/45/99/90/591459990.db2.gz WEIHFBOFZZLTAO-SECBINFHSA-N 1 2 235.287 0.413 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@@H]3C[C@]3(O)C2)[nH+]c1 ZINC000882933761 591476979 /nfs/dbraw/zinc/47/69/79/591476979.db2.gz OGHRMLCZXYAZHE-PEXQALLHSA-N 1 2 220.272 0.706 20 0 BCADLO NC(CO)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000883012478 591505917 /nfs/dbraw/zinc/50/59/17/591505917.db2.gz HYDIJWCPBNFWRO-JTQLQIEISA-N 1 2 224.260 0.601 20 0 BCADLO NC(CO)=[NH+]OCCOCC1CCC1 ZINC000883012509 591506543 /nfs/dbraw/zinc/50/65/43/591506543.db2.gz IWORSRSMOGNXLL-UHFFFAOYSA-N 1 2 202.254 0.294 20 0 BCADLO NC(CO)=[NH+]OCc1cc(CO)ccc1F ZINC000883013415 591507581 /nfs/dbraw/zinc/50/75/81/591507581.db2.gz NSFJDRNVSJHWGE-UHFFFAOYSA-N 1 2 228.223 0.309 20 0 BCADLO CC(C)N(C(=O)CO[NH+]=C(N)CO)C(C)C ZINC000883009497 591510068 /nfs/dbraw/zinc/51/00/68/591510068.db2.gz JOGJUQRBECTWNM-UHFFFAOYSA-N 1 2 231.296 0.123 20 0 BCADLO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)CO ZINC000883009914 591511686 /nfs/dbraw/zinc/51/16/86/591511686.db2.gz YETJAYGOKSKSRD-IUCAKERBSA-N 1 2 243.307 0.267 20 0 BCADLO CO[C@@H](CO[NH+]=C(N)CO)Cc1ccccc1 ZINC000883012544 591512683 /nfs/dbraw/zinc/51/26/83/591512683.db2.gz JYWBJBFMGIZVJN-LLVKDONJSA-N 1 2 238.287 0.735 20 0 BCADLO NC(CO)=[NH+]OCCc1ccc2c(c1)CCO2 ZINC000883012943 591513935 /nfs/dbraw/zinc/51/39/35/591513935.db2.gz ZIAAPUXKRCAIPT-UHFFFAOYSA-N 1 2 236.271 0.655 20 0 BCADLO NC(CO)=[NH+]OCCc1noc2ccccc12 ZINC000883013431 591514999 /nfs/dbraw/zinc/51/49/99/591514999.db2.gz OKQPXBCRUVIJNR-UHFFFAOYSA-N 1 2 235.243 0.861 20 0 BCADLO Cc1cc(N2CCC[C@H]3CCNC(=O)[C@H]32)nc[nH+]1 ZINC000883022270 591518069 /nfs/dbraw/zinc/51/80/69/591518069.db2.gz RCIKMQHTXDJNCU-JQWIXIFHSA-N 1 2 246.314 0.890 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC000883067181 591533976 /nfs/dbraw/zinc/53/39/76/591533976.db2.gz YFBDGDLMKSEMEG-AOOOYVTPSA-N 1 2 246.266 0.985 20 0 BCADLO Cc1cc(C[NH2+]CCc2n[nH]c(C)n2)no1 ZINC000883081078 591536949 /nfs/dbraw/zinc/53/69/49/591536949.db2.gz SYXXWXVGQMVZQT-UHFFFAOYSA-N 1 2 221.264 0.742 20 0 BCADLO Cc1cc(C[NH2+]CCc2nnc(C)[nH]2)no1 ZINC000883081078 591536953 /nfs/dbraw/zinc/53/69/53/591536953.db2.gz SYXXWXVGQMVZQT-UHFFFAOYSA-N 1 2 221.264 0.742 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](CF)C1 ZINC000883322454 591615843 /nfs/dbraw/zinc/61/58/43/591615843.db2.gz HESIVMRSZNGJEJ-VIFPVBQESA-N 1 2 240.282 0.921 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNCc1ccc(C)nn1 ZINC000883359162 591629371 /nfs/dbraw/zinc/62/93/71/591629371.db2.gz ZIXUHAREODGNGC-GFCCVEGCSA-N 1 2 220.320 0.969 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNCc1ccc(C)nn1 ZINC000883359162 591629373 /nfs/dbraw/zinc/62/93/73/591629373.db2.gz ZIXUHAREODGNGC-GFCCVEGCSA-N 1 2 220.320 0.969 20 0 BCADLO COC[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000883670659 591716155 /nfs/dbraw/zinc/71/61/55/591716155.db2.gz OVGBFRVFISGOOY-DTWKUNHWSA-N 1 2 238.291 0.662 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000889331732 591769224 /nfs/dbraw/zinc/76/92/24/591769224.db2.gz QEECFOUVDJGPDA-ZJUUUORDSA-N 1 2 223.276 0.519 20 0 BCADLO CC[C@@H](C)n1cc(C[NH+](CCO)CCO)nn1 ZINC000884000160 591789877 /nfs/dbraw/zinc/78/98/77/591789877.db2.gz KXXLSHYRIHGXGT-SNVBAGLBSA-N 1 2 242.323 0.036 20 0 BCADLO CCn1cc(C[N@H+](CCCO)C2CC2)nn1 ZINC000884003547 591792886 /nfs/dbraw/zinc/79/28/86/591792886.db2.gz YUTZYTYRHYBYBP-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO CCn1cc(C[N@@H+](CCCO)C2CC2)nn1 ZINC000884003547 591792888 /nfs/dbraw/zinc/79/28/88/591792888.db2.gz YUTZYTYRHYBYBP-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO Nc1ccc(NC(=O)C[C@H]2CCNC2=O)c[nH+]1 ZINC000884025109 591805634 /nfs/dbraw/zinc/80/56/34/591805634.db2.gz NLNXYBUQGBPBMV-SSDOTTSWSA-N 1 2 234.259 0.129 20 0 BCADLO CC(=O)CCC(=O)OCCn1cc[nH+]c1 ZINC000800095881 591821969 /nfs/dbraw/zinc/82/19/69/591821969.db2.gz KOPNPMAMNCKMJR-UHFFFAOYSA-N 1 2 210.233 0.796 20 0 BCADLO CN(CCCF)C(=O)NCC[NH+]1CCOCC1 ZINC000884040237 591822138 /nfs/dbraw/zinc/82/21/38/591822138.db2.gz NNELASROOINSSC-UHFFFAOYSA-N 1 2 247.314 0.320 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)c2ccc[nH]2)CCO1 ZINC000800123541 591825625 /nfs/dbraw/zinc/82/56/25/591825625.db2.gz LTSRCKWMHHMNTA-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)c2ccc[nH]2)CCO1 ZINC000800123541 591825628 /nfs/dbraw/zinc/82/56/28/591825628.db2.gz LTSRCKWMHHMNTA-JTQLQIEISA-N 1 2 238.287 0.892 20 0 BCADLO CCO[C@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800136226 591826933 /nfs/dbraw/zinc/82/69/33/591826933.db2.gz MEMJORBUQVSJII-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCO[C@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800136226 591826940 /nfs/dbraw/zinc/82/69/40/591826940.db2.gz MEMJORBUQVSJII-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H](O)C2CC2)CCO1 ZINC000800163835 591830160 /nfs/dbraw/zinc/83/01/60/591830160.db2.gz AUCIOXDOUVHHDJ-KOLCDFICSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H](O)C2CC2)CCO1 ZINC000800163835 591830162 /nfs/dbraw/zinc/83/01/62/591830162.db2.gz AUCIOXDOUVHHDJ-KOLCDFICSA-N 1 2 243.303 0.021 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800211660 591840471 /nfs/dbraw/zinc/84/04/71/591840471.db2.gz IWYNGPYRXHGBAV-OUAUKWLOSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800211660 591840474 /nfs/dbraw/zinc/84/04/74/591840474.db2.gz IWYNGPYRXHGBAV-OUAUKWLOSA-N 1 2 227.304 0.906 20 0 BCADLO COC/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800219932 591841756 /nfs/dbraw/zinc/84/17/56/591841756.db2.gz TXYWPWOMZIJJAE-BYCRGOAPSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800219932 591841763 /nfs/dbraw/zinc/84/17/63/591841763.db2.gz TXYWPWOMZIJJAE-BYCRGOAPSA-N 1 2 243.303 0.453 20 0 BCADLO CN(CCCF)C(=O)NCc1c[nH+]cn1C ZINC000884358321 591913062 /nfs/dbraw/zinc/91/30/62/591913062.db2.gz OSEJMAQZQROGHJ-UHFFFAOYSA-N 1 2 228.271 0.921 20 0 BCADLO CCc1nc(N[C@@H](C)C(=O)NCCF)cc[nH+]1 ZINC000884498206 591958058 /nfs/dbraw/zinc/95/80/58/591958058.db2.gz USLMARVWZCRDFM-QMMMGPOBSA-N 1 2 240.282 0.925 20 0 BCADLO CCc1nc(N[C@H](C)C(=O)NCCF)cc[nH+]1 ZINC000884498205 591958157 /nfs/dbraw/zinc/95/81/57/591958157.db2.gz USLMARVWZCRDFM-MRVPVSSYSA-N 1 2 240.282 0.925 20 0 BCADLO CCc1nc(N[C@@H](C)CC(=O)NC)cc[nH+]1 ZINC000884522785 591965997 /nfs/dbraw/zinc/96/59/97/591965997.db2.gz HVSWPBQUBWORID-QMMMGPOBSA-N 1 2 222.292 0.976 20 0 BCADLO CCc1nc(N2Cc3c(N)nn(C)c3C2)cc[nH+]1 ZINC000884526657 591967052 /nfs/dbraw/zinc/96/70/52/591967052.db2.gz ADPOQUBGFNYTCY-UHFFFAOYSA-N 1 2 244.302 0.875 20 0 BCADLO CCc1nc(N2C[C@@H]3C[C@H]2C[S@@]3=O)cc[nH+]1 ZINC000884546477 591975307 /nfs/dbraw/zinc/97/53/07/591975307.db2.gz LLVRCOPYVCFKQD-BEPCFFQHSA-N 1 2 237.328 0.749 20 0 BCADLO CCc1nc(NC[C@@H](O)[C@H]2CCCO2)cc[nH+]1 ZINC000884563333 591981502 /nfs/dbraw/zinc/98/15/02/591981502.db2.gz CETHLDXXKYEYME-NXEZZACHSA-N 1 2 237.303 0.991 20 0 BCADLO OC[C@H](C[C@@H]1CCCO1)Nc1cc[nH+]cc1F ZINC000884615657 591994611 /nfs/dbraw/zinc/99/46/11/591994611.db2.gz LGMKDHKHGBNNNE-UWVGGRQHSA-N 1 2 240.278 0.985 20 0 BCADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]c1 ZINC000884622779 591995878 /nfs/dbraw/zinc/99/58/78/591995878.db2.gz ZKOBMUSVYIHPKD-WKJUBOCMSA-N 1 2 238.287 0.431 20 0 BCADLO Cc1nc(NCCN2CCNC2=O)cc[nH+]1 ZINC000884692743 592011333 /nfs/dbraw/zinc/01/13/33/592011333.db2.gz UVAQWVSVAXVQSC-UHFFFAOYSA-N 1 2 221.264 0.222 20 0 BCADLO O=C1NCCN1CCNc1cc[nH+]c(C2CC2)n1 ZINC000884692457 592011708 /nfs/dbraw/zinc/01/17/08/592011708.db2.gz ALOBXYMRHKCCQL-UHFFFAOYSA-N 1 2 247.302 0.791 20 0 BCADLO COCCOC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000884939959 592030387 /nfs/dbraw/zinc/03/03/87/592030387.db2.gz GJKRNVKZOXSNHB-SNVBAGLBSA-N 1 2 246.307 0.080 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885038974 592036655 /nfs/dbraw/zinc/03/66/55/592036655.db2.gz BTKJSGBWBJQMLA-JTQLQIEISA-N 1 2 235.287 0.853 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885052109 592040205 /nfs/dbraw/zinc/04/02/05/592040205.db2.gz MWQVCCDKYWHCSC-SECBINFHSA-N 1 2 235.287 0.922 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000885077781 592047495 /nfs/dbraw/zinc/04/74/95/592047495.db2.gz FJVLUVLQYPDGIG-QMMMGPOBSA-N 1 2 221.260 0.532 20 0 BCADLO C[C@H]1CCC(=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000885091254 592050942 /nfs/dbraw/zinc/05/09/42/592050942.db2.gz PHEDBZPPRNDBHT-JTQLQIEISA-N 1 2 235.287 0.853 20 0 BCADLO COC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000885793214 592100732 /nfs/dbraw/zinc/10/07/32/592100732.db2.gz VXXKROQACFFMAU-JTQLQIEISA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000885793214 592100734 /nfs/dbraw/zinc/10/07/34/592100734.db2.gz VXXKROQACFFMAU-JTQLQIEISA-N 1 2 239.319 0.987 20 0 BCADLO CCCNc1cc(N[C@H](C)CC(N)=O)nc[nH+]1 ZINC000136277145 592104229 /nfs/dbraw/zinc/10/42/29/592104229.db2.gz NPIVHPAVMUJGTM-MRVPVSSYSA-N 1 2 237.307 0.974 20 0 BCADLO CCCNc1cc(N[C@H](C)CC(N)=O)[nH+]cn1 ZINC000136277145 592104232 /nfs/dbraw/zinc/10/42/32/592104232.db2.gz NPIVHPAVMUJGTM-MRVPVSSYSA-N 1 2 237.307 0.974 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCC3(CCC3)CO2)CCN1 ZINC000885933352 592110886 /nfs/dbraw/zinc/11/08/86/592110886.db2.gz RICDOUMXFURCAH-NSHDSACASA-N 1 2 238.331 0.768 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CCN1 ZINC000885933352 592110888 /nfs/dbraw/zinc/11/08/88/592110888.db2.gz RICDOUMXFURCAH-NSHDSACASA-N 1 2 238.331 0.768 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885982269 592120953 /nfs/dbraw/zinc/12/09/53/592120953.db2.gz YQRAENONGUWTRE-ADEWGFFLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885982269 592120956 /nfs/dbraw/zinc/12/09/56/592120956.db2.gz YQRAENONGUWTRE-ADEWGFFLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000885982272 592121245 /nfs/dbraw/zinc/12/12/45/592121245.db2.gz YQRAENONGUWTRE-YUSALJHKSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000885982272 592121247 /nfs/dbraw/zinc/12/12/47/592121247.db2.gz YQRAENONGUWTRE-YUSALJHKSA-N 1 2 238.331 0.764 20 0 BCADLO O[C@@H](CNOC1CCCC1)C[NH+]1CCOCC1 ZINC000137006689 592153602 /nfs/dbraw/zinc/15/36/02/592153602.db2.gz GKBQGHXMVOYCQO-NSHDSACASA-N 1 2 244.335 0.143 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000886181555 592169426 /nfs/dbraw/zinc/16/94/26/592169426.db2.gz OBLBTBWQQORNBI-ONGXEEELSA-N 1 2 235.274 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000886181555 592169428 /nfs/dbraw/zinc/16/94/28/592169428.db2.gz OBLBTBWQQORNBI-ONGXEEELSA-N 1 2 235.274 0.972 20 0 BCADLO C[C@](O)(C[N@@H+]1CCO[C@H](C(F)F)C1)C(F)F ZINC000886190500 592170982 /nfs/dbraw/zinc/17/09/82/592170982.db2.gz SVTADQVVNMNBOM-RCOVLWMOSA-N 1 2 245.216 0.968 20 0 BCADLO C[C@](O)(C[N@H+]1CCO[C@H](C(F)F)C1)C(F)F ZINC000886190500 592170983 /nfs/dbraw/zinc/17/09/83/592170983.db2.gz SVTADQVVNMNBOM-RCOVLWMOSA-N 1 2 245.216 0.968 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000886229485 592181242 /nfs/dbraw/zinc/18/12/42/592181242.db2.gz QFEJNRCHHDXDET-SNVBAGLBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000886229485 592181244 /nfs/dbraw/zinc/18/12/44/592181244.db2.gz QFEJNRCHHDXDET-SNVBAGLBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000886229485 592181245 /nfs/dbraw/zinc/18/12/45/592181245.db2.gz QFEJNRCHHDXDET-SNVBAGLBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000886229485 592181247 /nfs/dbraw/zinc/18/12/47/592181247.db2.gz QFEJNRCHHDXDET-SNVBAGLBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@](C)(O)C(F)F)n1 ZINC000886272345 592191817 /nfs/dbraw/zinc/19/18/17/592191817.db2.gz NOCMYOVMOCLYRX-SECBINFHSA-N 1 2 235.234 0.826 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@](C)(O)C(F)F)n1 ZINC000886272345 592191819 /nfs/dbraw/zinc/19/18/19/592191819.db2.gz NOCMYOVMOCLYRX-SECBINFHSA-N 1 2 235.234 0.826 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000886319389 592207642 /nfs/dbraw/zinc/20/76/42/592207642.db2.gz CAUQTVUQGDOEJV-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000886319389 592207643 /nfs/dbraw/zinc/20/76/43/592207643.db2.gz CAUQTVUQGDOEJV-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000886319389 592207644 /nfs/dbraw/zinc/20/76/44/592207644.db2.gz CAUQTVUQGDOEJV-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000886319389 592207645 /nfs/dbraw/zinc/20/76/45/592207645.db2.gz CAUQTVUQGDOEJV-ZYHUDNBSSA-N 1 2 248.330 0.819 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccon1 ZINC000886327733 592209686 /nfs/dbraw/zinc/20/96/86/592209686.db2.gz QPCSBOULRVNFPD-OCAPTIKFSA-N 1 2 207.233 0.565 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccon1 ZINC000886327733 592209687 /nfs/dbraw/zinc/20/96/87/592209687.db2.gz QPCSBOULRVNFPD-OCAPTIKFSA-N 1 2 207.233 0.565 20 0 BCADLO O=c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)nc2cc[nH]n21 ZINC000886345388 592212854 /nfs/dbraw/zinc/21/28/54/592212854.db2.gz YUFALBXLDJSEJU-DTORHVGOSA-N 1 2 230.271 0.474 20 0 BCADLO O=c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)nc2cc[nH]n21 ZINC000886345388 592212855 /nfs/dbraw/zinc/21/28/55/592212855.db2.gz YUFALBXLDJSEJU-DTORHVGOSA-N 1 2 230.271 0.474 20 0 BCADLO Cn1ncc2c1nc(C[N@@H+]1C[C@@H]3C[C@@H]3C1)[nH]c2=O ZINC000886345104 592212968 /nfs/dbraw/zinc/21/29/68/592212968.db2.gz RVVSMSBVWNJGEB-OCAPTIKFSA-N 1 2 245.286 0.521 20 0 BCADLO Cn1ncc2c1nc(C[N@H+]1C[C@@H]3C[C@@H]3C1)[nH]c2=O ZINC000886345104 592212969 /nfs/dbraw/zinc/21/29/69/592212969.db2.gz RVVSMSBVWNJGEB-OCAPTIKFSA-N 1 2 245.286 0.521 20 0 BCADLO COCCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886348555 592214514 /nfs/dbraw/zinc/21/45/14/592214514.db2.gz OKPWQVJTBNKTPZ-DTORHVGOSA-N 1 2 223.276 0.710 20 0 BCADLO COCCc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886348555 592214516 /nfs/dbraw/zinc/21/45/16/592214516.db2.gz OKPWQVJTBNKTPZ-DTORHVGOSA-N 1 2 223.276 0.710 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC[C@@H]1CC1CC1 ZINC000886471091 592229680 /nfs/dbraw/zinc/22/96/80/592229680.db2.gz HPFAANFVRXHYNL-NSHDSACASA-N 1 2 249.314 0.980 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886508902 592238961 /nfs/dbraw/zinc/23/89/61/592238961.db2.gz RNGBVKPIYVMRGA-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886508902 592238965 /nfs/dbraw/zinc/23/89/65/592238965.db2.gz RNGBVKPIYVMRGA-OPRDCNLKSA-N 1 2 231.292 0.020 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ncco1 ZINC000886539201 592251879 /nfs/dbraw/zinc/25/18/79/592251879.db2.gz WHKYQKXWIYOYQW-DTWKUNHWSA-N 1 2 223.276 0.946 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ncco1 ZINC000886539200 592252538 /nfs/dbraw/zinc/25/25/38/592252538.db2.gz WHKYQKXWIYOYQW-BDAKNGLRSA-N 1 2 223.276 0.946 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795550 592326450 /nfs/dbraw/zinc/32/64/50/592326450.db2.gz WGMGWYCGGMYCSP-QMMMGPOBSA-N 1 2 241.209 0.406 20 0 BCADLO COC(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795550 592326457 /nfs/dbraw/zinc/32/64/57/592326457.db2.gz WGMGWYCGGMYCSP-QMMMGPOBSA-N 1 2 241.209 0.406 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677094 592299564 /nfs/dbraw/zinc/29/95/64/592299564.db2.gz RBYIIZZEZKRZEN-VIFPVBQESA-N 1 2 220.276 0.141 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677094 592299568 /nfs/dbraw/zinc/29/95/68/592299568.db2.gz RBYIIZZEZKRZEN-VIFPVBQESA-N 1 2 220.276 0.141 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H](C)CCO)[nH]1 ZINC000886755279 592315918 /nfs/dbraw/zinc/31/59/18/592315918.db2.gz CXDXKHMXBCBGJP-ZETCQYMHSA-N 1 2 230.337 0.528 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H](C)CCO)n1 ZINC000886755279 592315923 /nfs/dbraw/zinc/31/59/23/592315923.db2.gz CXDXKHMXBCBGJP-ZETCQYMHSA-N 1 2 230.337 0.528 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)[nH]1 ZINC000886822245 592345666 /nfs/dbraw/zinc/34/56/66/592345666.db2.gz ODZTWVHGOCYJSL-DTWKUNHWSA-N 1 2 238.291 0.511 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)[nH]1 ZINC000886822245 592345671 /nfs/dbraw/zinc/34/56/71/592345671.db2.gz ODZTWVHGOCYJSL-DTWKUNHWSA-N 1 2 238.291 0.511 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886881922 592381921 /nfs/dbraw/zinc/38/19/21/592381921.db2.gz WWWWOZHBAHCJGR-MGCOHNPYSA-N 1 2 249.314 0.932 20 0 BCADLO O=C(N[C@H]1C[C@H](CO)C1)c1cccc2[nH+]ccn21 ZINC000886891067 592387443 /nfs/dbraw/zinc/38/74/43/592387443.db2.gz FPXFDDOQBNNIFW-MGCOHNPYSA-N 1 2 245.282 0.835 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(=O)OC)[C@H]1CCCOC1 ZINC000886906317 592393566 /nfs/dbraw/zinc/39/35/66/592393566.db2.gz VGXJRKCUOXEDFL-VWYCJHECSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H](C)[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886941715 592399233 /nfs/dbraw/zinc/39/92/33/592399233.db2.gz JQBOPRBTAFHRIQ-HBNTYKKESA-N 1 2 245.319 0.722 20 0 BCADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CC[C@H](C)O ZINC000886941653 592399275 /nfs/dbraw/zinc/39/92/75/592399275.db2.gz IKHAVPMQEFCOPB-DCAQKATOSA-N 1 2 245.319 0.458 20 0 BCADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCO ZINC000886952599 592399828 /nfs/dbraw/zinc/39/98/28/592399828.db2.gz LDEGBRDMRBZZAP-NXEZZACHSA-N 1 2 231.292 0.069 20 0 BCADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCOC ZINC000886958736 592402179 /nfs/dbraw/zinc/40/21/79/592402179.db2.gz DDWYENGYJYOIMF-GHMZBOCLSA-N 1 2 245.319 0.723 20 0 BCADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCO ZINC000886962610 592402460 /nfs/dbraw/zinc/40/24/60/592402460.db2.gz AWYVCNQQVHLNFL-NXEZZACHSA-N 1 2 231.292 0.069 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)CO ZINC000887075276 592435959 /nfs/dbraw/zinc/43/59/59/592435959.db2.gz AKKTYQMFVLTJNI-IUCAKERBSA-N 1 2 233.333 0.205 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)CO ZINC000887075276 592435961 /nfs/dbraw/zinc/43/59/61/592435961.db2.gz AKKTYQMFVLTJNI-IUCAKERBSA-N 1 2 233.333 0.205 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1cnsn1)C(N)=O ZINC000887056077 592432811 /nfs/dbraw/zinc/43/28/11/592432811.db2.gz ZLSBGYQOFXEPJH-XPUUQOCRSA-N 1 2 228.321 0.528 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCCCO ZINC000887071825 592433905 /nfs/dbraw/zinc/43/39/05/592433905.db2.gz CBFHEUZVMSRPMG-SNVBAGLBSA-N 1 2 247.360 0.739 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCCCCO ZINC000887071825 592433906 /nfs/dbraw/zinc/43/39/06/592433906.db2.gz CBFHEUZVMSRPMG-SNVBAGLBSA-N 1 2 247.360 0.739 20 0 BCADLO COC(=O)CC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887070343 592434280 /nfs/dbraw/zinc/43/42/80/592434280.db2.gz KJIPLMYNCDVDTJ-QMMMGPOBSA-N 1 2 247.316 0.140 20 0 BCADLO COC(=O)CC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887070343 592434283 /nfs/dbraw/zinc/43/42/83/592434283.db2.gz KJIPLMYNCDVDTJ-QMMMGPOBSA-N 1 2 247.316 0.140 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887077169 592434998 /nfs/dbraw/zinc/43/49/98/592434998.db2.gz GCZIWHKEHUPLFZ-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887077169 592434999 /nfs/dbraw/zinc/43/49/99/592434999.db2.gz GCZIWHKEHUPLFZ-UWVGGRQHSA-N 1 2 247.360 0.738 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CC[C@@H](C)O ZINC000887077149 592435622 /nfs/dbraw/zinc/43/56/22/592435622.db2.gz FNNUGCYLAHSGJV-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CC[C@@H](C)O ZINC000887077149 592435625 /nfs/dbraw/zinc/43/56/25/592435625.db2.gz FNNUGCYLAHSGJV-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO COc1cc2c(cc1O)CC[N@H+](CC(N)=O)C2 ZINC000887103665 592443423 /nfs/dbraw/zinc/44/34/23/592443423.db2.gz HVAMHJDOSZOSSZ-UHFFFAOYSA-N 1 2 236.271 0.244 20 0 BCADLO COc1cc2c(cc1O)CC[N@@H+](CC(N)=O)C2 ZINC000887103665 592443424 /nfs/dbraw/zinc/44/34/24/592443424.db2.gz HVAMHJDOSZOSSZ-UHFFFAOYSA-N 1 2 236.271 0.244 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CCCF)C1=O ZINC000887141336 592457444 /nfs/dbraw/zinc/45/74/44/592457444.db2.gz OWMKMGAMPGGCLZ-QMMMGPOBSA-N 1 2 204.245 0.440 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CCCF)C1=O ZINC000887141336 592457446 /nfs/dbraw/zinc/45/74/46/592457446.db2.gz OWMKMGAMPGGCLZ-QMMMGPOBSA-N 1 2 204.245 0.440 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nn1nnc2c1CCCC2 ZINC000887218965 592467552 /nfs/dbraw/zinc/46/75/52/592467552.db2.gz MFZXYQXPXYDDSG-UHFFFAOYSA-N 1 2 246.274 0.193 20 0 BCADLO O=c1c2c([nH]n1C1CCSCC1)CC[NH2+]C2 ZINC000887293051 592477348 /nfs/dbraw/zinc/47/73/48/592477348.db2.gz QAAVRJMGXXUTER-VIFPVBQESA-N 1 2 239.344 0.690 20 0 BCADLO COC(=O)[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000888066754 592572422 /nfs/dbraw/zinc/57/24/22/592572422.db2.gz PWBPGKWBNPCAGD-SECBINFHSA-N 1 2 237.259 0.035 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]1CO ZINC000889136782 592584320 /nfs/dbraw/zinc/58/43/20/592584320.db2.gz OMQUCFVVFAZXPM-ZJUUUORDSA-N 1 2 235.287 0.039 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000889792574 592653830 /nfs/dbraw/zinc/65/38/30/592653830.db2.gz DOJMDGZIYWWJDT-VHSXEESVSA-N 1 2 248.282 0.868 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C(C)(C)CO)c1 ZINC000890107968 592683274 /nfs/dbraw/zinc/68/32/74/592683274.db2.gz SQWSRUMTEBRGBD-UHFFFAOYSA-N 1 2 211.265 0.055 20 0 BCADLO COC[C@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890110062 592674399 /nfs/dbraw/zinc/67/43/99/592674399.db2.gz JQMBBXLFBUMRQJ-SECBINFHSA-N 1 2 225.292 0.709 20 0 BCADLO CCO[C@H]1[C@H](C(=O)NCc2cn(C)c[nH+]2)[C@@H]1C ZINC000890100432 592679419 /nfs/dbraw/zinc/67/94/19/592679419.db2.gz XEGQWRDLFISEGH-JMJZKYOTSA-N 1 2 237.303 0.707 20 0 BCADLO CCC(CC)(CO)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104144 592679979 /nfs/dbraw/zinc/67/99/79/592679979.db2.gz ICMCKENQKLOCHI-UHFFFAOYSA-N 1 2 239.319 0.835 20 0 BCADLO COc1ccc(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890102814 592680118 /nfs/dbraw/zinc/68/01/18/592680118.db2.gz ALBSZNXZXHAYPR-UHFFFAOYSA-N 1 2 235.243 0.952 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103233 592680205 /nfs/dbraw/zinc/68/02/05/592680205.db2.gz HJSRBBKRDRWZMH-GZTOBOFZSA-N 1 2 237.303 0.754 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2(C(=O)C3CC3)CC2)c1 ZINC000890104361 592680285 /nfs/dbraw/zinc/68/02/85/592680285.db2.gz KAKOBPBALYOXHO-UHFFFAOYSA-N 1 2 247.298 0.796 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890100588 592680406 /nfs/dbraw/zinc/68/04/06/592680406.db2.gz YYFKVHCQOOWVBN-SCZZXKLOSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1cnc(/C=C/C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890100661 592680582 /nfs/dbraw/zinc/68/05/82/592680582.db2.gz UVHUGASNWJKYKY-ONEGZZNKSA-N 1 2 245.286 0.483 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890103989 592680617 /nfs/dbraw/zinc/68/06/17/592680617.db2.gz GEDSZSQXOMTERX-SECBINFHSA-N 1 2 222.248 0.201 20 0 BCADLO Cn1cnc(/C=C\C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890100660 592680674 /nfs/dbraw/zinc/68/06/74/592680674.db2.gz UVHUGASNWJKYKY-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO COC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104707 592681945 /nfs/dbraw/zinc/68/19/45/592681945.db2.gz PGHAAMVELYJPQR-UHFFFAOYSA-N 1 2 209.249 0.215 20 0 BCADLO CO[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890107966 592682626 /nfs/dbraw/zinc/68/26/26/592682626.db2.gz SOXLSDGFBCCWLZ-JTQLQIEISA-N 1 2 223.276 0.461 20 0 BCADLO COC1(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890109372 592682718 /nfs/dbraw/zinc/68/27/18/592682718.db2.gz MIGYJRIUXYTUMH-UHFFFAOYSA-N 1 2 223.276 0.605 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107742 592682778 /nfs/dbraw/zinc/68/27/78/592682778.db2.gz PQDAUXVDEHIEPM-ZJUUUORDSA-N 1 2 239.319 0.955 20 0 BCADLO COCC1(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890108147 592682903 /nfs/dbraw/zinc/68/29/03/592682903.db2.gz VJNKXAMDYUEEGY-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC(F)F)c1 ZINC000890108189 592683475 /nfs/dbraw/zinc/68/34/75/592683475.db2.gz VOBYUDAZYOEFTG-UHFFFAOYSA-N 1 2 219.191 0.276 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCCO2)c1 ZINC000890110628 592683837 /nfs/dbraw/zinc/68/38/37/592683837.db2.gz RYGYMXAKADUADB-SNVBAGLBSA-N 1 2 223.276 0.605 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CCCO2)c1 ZINC000890110310 592684486 /nfs/dbraw/zinc/68/44/86/592684486.db2.gz MCYSZHZOLTUBRM-LLVKDONJSA-N 1 2 223.276 0.605 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890116993 592685282 /nfs/dbraw/zinc/68/52/82/592685282.db2.gz JTRWTMRHDZHEFD-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2n[nH]c3c2CCC3)c1 ZINC000890116806 592685508 /nfs/dbraw/zinc/68/55/08/592685508.db2.gz FUPLXEZECGJHQH-UHFFFAOYSA-N 1 2 245.286 0.562 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)on1 ZINC000890116869 592685628 /nfs/dbraw/zinc/68/56/28/592685628.db2.gz CAAWRNUDVNEFNN-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CO[C@@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114507 592685905 /nfs/dbraw/zinc/68/59/05/592685905.db2.gz NFOGQSUTSDBZNA-QMMMGPOBSA-N 1 2 211.265 0.461 20 0 BCADLO O=C([O-])C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000308817287 597003434 /nfs/dbraw/zinc/00/34/34/597003434.db2.gz AYDWHIVIEWRBNA-UHFFFAOYSA-N 1 2 209.249 0.605 20 0 BCADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235285 598214877 /nfs/dbraw/zinc/21/48/77/598214877.db2.gz WIIFGCHXOJLUDM-IUCAKERBSA-N 1 2 211.265 0.724 20 0 BCADLO CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)[O-])C1 ZINC000308833342 599863237 /nfs/dbraw/zinc/86/32/37/599863237.db2.gz HAVMCNCAQYNNFV-JTQLQIEISA-N 1 2 214.309 0.924 20 0 BCADLO CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000308833342 599863239 /nfs/dbraw/zinc/86/32/39/599863239.db2.gz HAVMCNCAQYNNFV-JTQLQIEISA-N 1 2 214.309 0.924 20 0 BCADLO CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)[O-])C1 ZINC000308833344 599863321 /nfs/dbraw/zinc/86/33/21/599863321.db2.gz HAVMCNCAQYNNFV-SNVBAGLBSA-N 1 2 214.309 0.924 20 0 BCADLO CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000308833344 599863323 /nfs/dbraw/zinc/86/33/23/599863323.db2.gz HAVMCNCAQYNNFV-SNVBAGLBSA-N 1 2 214.309 0.924 20 0 BCADLO O=C([O-])C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000308840869 599920723 /nfs/dbraw/zinc/92/07/23/599920723.db2.gz JZMUZZOQHJODGS-SECBINFHSA-N 1 2 209.249 0.605 20 0 BCADLO O=C([O-])C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000308840869 599920725 /nfs/dbraw/zinc/92/07/25/599920725.db2.gz JZMUZZOQHJODGS-SECBINFHSA-N 1 2 209.249 0.605 20 0 BCADLO CN(C)c1cc(N(C)CC2(CO)CC2)nc[nH+]1 ZINC000893382103 634377826 /nfs/dbraw/zinc/37/78/26/634377826.db2.gz METIDDOFPUIOQX-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO CN(C)c1cc(N(C)CC2(CO)CC2)[nH+]cn1 ZINC000893382103 634377832 /nfs/dbraw/zinc/37/78/32/634377832.db2.gz METIDDOFPUIOQX-UHFFFAOYSA-N 1 2 236.319 0.751 20 0 BCADLO O=C([O-])N1CCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000740524532 602047434 /nfs/dbraw/zinc/04/74/34/602047434.db2.gz YQZRMGCSHCBDCO-JTQLQIEISA-N 1 2 238.291 0.615 20 0 BCADLO CC[NH+](C)C[C@@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000826988920 604370063 /nfs/dbraw/zinc/37/00/63/604370063.db2.gz UBGCCRCDJSUBSY-JTQLQIEISA-N 1 2 229.324 0.528 20 0 BCADLO CC[N@@H+](C)C[C@@H]1CC[NH+](CCNC(=O)[O-])C1 ZINC000826988920 604370061 /nfs/dbraw/zinc/37/00/61/604370061.db2.gz UBGCCRCDJSUBSY-JTQLQIEISA-N 1 2 229.324 0.528 20 0 BCADLO CC[NH+](C)C[C@@H]1CC[N@H+](CCNC(=O)[O-])C1 ZINC000826988920 604370062 /nfs/dbraw/zinc/37/00/62/604370062.db2.gz UBGCCRCDJSUBSY-JTQLQIEISA-N 1 2 229.324 0.528 20 0 BCADLO CC[N@H+](C)C[C@@H]1CC[NH+](CCNC(=O)[O-])C1 ZINC000826988920 604370059 /nfs/dbraw/zinc/37/00/59/604370059.db2.gz UBGCCRCDJSUBSY-JTQLQIEISA-N 1 2 229.324 0.528 20 0 BCADLO Cc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)[O-])CC2)c1 ZINC000058022114 604391917 /nfs/dbraw/zinc/39/19/17/604391917.db2.gz XNYYUBXXUQRVNY-LLVKDONJSA-N 1 2 249.314 0.985 20 0 BCADLO CC(C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000694033736 604921502 /nfs/dbraw/zinc/92/15/02/604921502.db2.gz AFEGYQKAPXZOSW-UHFFFAOYSA-N 1 2 214.309 0.925 20 0 BCADLO Cn1c[nH+]c(CCNc2cc(=O)[nH]cn2)c1 ZINC000313465867 634463189 /nfs/dbraw/zinc/46/31/89/634463189.db2.gz DUMKFGGSVYSLPC-UHFFFAOYSA-N 1 2 219.248 0.570 20 0 BCADLO CCN1CC[C@H]([N@H+]2Cc3c[nH]nc3[C@H](C)C2)C1=O ZINC000931468117 634469527 /nfs/dbraw/zinc/46/95/27/634469527.db2.gz VKVLMTRYQVSROT-KOLCDFICSA-N 1 2 248.330 0.950 20 0 BCADLO CCN1CC[C@H]([N@@H+]2Cc3c[nH]nc3[C@H](C)C2)C1=O ZINC000931468117 634469531 /nfs/dbraw/zinc/46/95/31/634469531.db2.gz VKVLMTRYQVSROT-KOLCDFICSA-N 1 2 248.330 0.950 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001009817614 634591138 /nfs/dbraw/zinc/59/11/38/634591138.db2.gz VDLNPFGYJVCNOX-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001009817614 634591143 /nfs/dbraw/zinc/59/11/43/634591143.db2.gz VDLNPFGYJVCNOX-SNVBAGLBSA-N 1 2 236.319 0.521 20 0 BCADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CNOC1 ZINC000925860294 635554566 /nfs/dbraw/zinc/55/45/66/635554566.db2.gz OXCZTOAVHDTTOT-RKDXNWHRSA-N 1 2 210.281 0.457 20 0 BCADLO CNC(=O)C[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308270886 631234464 /nfs/dbraw/zinc/23/44/64/631234464.db2.gz RYHOMXGDRNVLGU-ZCFIWIBFSA-N 1 2 225.119 0.858 20 0 BCADLO CNC(=O)C[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308270886 631234472 /nfs/dbraw/zinc/23/44/72/631234472.db2.gz RYHOMXGDRNVLGU-ZCFIWIBFSA-N 1 2 225.119 0.858 20 0 BCADLO CS(=O)(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000076668277 631300315 /nfs/dbraw/zinc/30/03/15/631300315.db2.gz IRYBCUFPHONMTM-NSHDSACASA-N 1 2 244.360 0.672 20 0 BCADLO Nc1ccc(CNC(=O)[C@H]2CCCOC2)c[nH+]1 ZINC000308392149 631309386 /nfs/dbraw/zinc/30/93/86/631309386.db2.gz NXSGDOJVRKWXJE-JTQLQIEISA-N 1 2 235.287 0.707 20 0 BCADLO CCCOCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308393989 631310420 /nfs/dbraw/zinc/31/04/20/631310420.db2.gz UJJHMDMGHBLXFO-UHFFFAOYSA-N 1 2 223.276 0.707 20 0 BCADLO CSCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308374645 631311762 /nfs/dbraw/zinc/31/17/62/631311762.db2.gz JLMCJMUDMZXDIP-UHFFFAOYSA-N 1 2 211.290 0.643 20 0 BCADLO C[C@H](C(=O)NCc1ccc(N)[nH+]c1)n1cccn1 ZINC000308394518 631312602 /nfs/dbraw/zinc/31/26/02/631312602.db2.gz VHQVKIDCOBTBMF-SECBINFHSA-N 1 2 245.286 0.738 20 0 BCADLO Cn1ccnc1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308377642 631314172 /nfs/dbraw/zinc/31/41/72/631314172.db2.gz OQGLLJQNPYVSJB-UHFFFAOYSA-N 1 2 231.259 0.327 20 0 BCADLO CCc1nc(C[N@H+](C)C[C@H](O)CO)cs1 ZINC000308759411 631364106 /nfs/dbraw/zinc/36/41/06/631364106.db2.gz ZESOIKZBPOQTSZ-VIFPVBQESA-N 1 2 230.333 0.491 20 0 BCADLO CCc1nc(C[N@@H+](C)C[C@H](O)CO)cs1 ZINC000308759411 631364109 /nfs/dbraw/zinc/36/41/09/631364109.db2.gz ZESOIKZBPOQTSZ-VIFPVBQESA-N 1 2 230.333 0.491 20 0 BCADLO CCc1cc(C(=O)NCCc2cn(C)c[nH+]2)no1 ZINC000891514625 631382187 /nfs/dbraw/zinc/38/21/87/631382187.db2.gz VSCBIGSBZGSRBV-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2ncccn2)c1 ZINC000891514418 631383637 /nfs/dbraw/zinc/38/36/37/631383637.db2.gz RCWZIAKLBYDGRJ-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO Cc1coc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000082303451 631402491 /nfs/dbraw/zinc/40/24/91/631402491.db2.gz HOOGDXTZPWPHGA-UHFFFAOYSA-N 1 2 208.261 0.976 20 0 BCADLO CC(C)n1ccc(C[NH2+]CCS(C)(=O)=O)n1 ZINC000082866390 631414553 /nfs/dbraw/zinc/41/45/53/631414553.db2.gz HPVXNUPHTGEOOQ-UHFFFAOYSA-N 1 2 245.348 0.598 20 0 BCADLO Cc1cnnc(NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000234348584 631430715 /nfs/dbraw/zinc/43/07/15/631430715.db2.gz KAVBYYCPKSURFF-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cnnc(NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000234348584 631430718 /nfs/dbraw/zinc/43/07/18/631430718.db2.gz KAVBYYCPKSURFF-NSHDSACASA-N 1 2 235.335 0.443 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CC)CO ZINC000308620990 631447295 /nfs/dbraw/zinc/44/72/95/631447295.db2.gz TWHYTBROJCDSFM-RKDXNWHRSA-N 1 2 203.282 0.689 20 0 BCADLO CC[C@](C)(O)C(=O)NCc1[nH]c[nH+]c1C ZINC000933990680 631578457 /nfs/dbraw/zinc/57/84/57/631578457.db2.gz OQIGNSWTRGDOAW-JTQLQIEISA-N 1 2 211.265 0.495 20 0 BCADLO COCc1nccc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000893907499 635635146 /nfs/dbraw/zinc/63/51/46/635635146.db2.gz MEMBEMRTGJCXDZ-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO O=[S@](CC[N@H+]1CC[C@@H]1CO)C(F)(F)F ZINC000934016092 631609908 /nfs/dbraw/zinc/60/99/08/631609908.db2.gz SBCSTXOGUUSWKN-RWBAJPLHSA-N 1 2 231.239 0.322 20 0 BCADLO O=[S@](CC[N@@H+]1CC[C@@H]1CO)C(F)(F)F ZINC000934016092 631609914 /nfs/dbraw/zinc/60/99/14/631609914.db2.gz SBCSTXOGUUSWKN-RWBAJPLHSA-N 1 2 231.239 0.322 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000934013869 631594093 /nfs/dbraw/zinc/59/40/93/631594093.db2.gz XBKUDAUGYPFSMK-GFCCVEGCSA-N 1 2 221.304 0.786 20 0 BCADLO OC[C@H]1CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000934013869 631594098 /nfs/dbraw/zinc/59/40/98/631594098.db2.gz XBKUDAUGYPFSMK-GFCCVEGCSA-N 1 2 221.304 0.786 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)Nc1ccccc1 ZINC000934026702 631605257 /nfs/dbraw/zinc/60/52/57/631605257.db2.gz PPHDLKRODIGQBD-LLVKDONJSA-N 1 2 220.272 0.692 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)Nc1ccccc1 ZINC000934026702 631605261 /nfs/dbraw/zinc/60/52/61/631605261.db2.gz PPHDLKRODIGQBD-LLVKDONJSA-N 1 2 220.272 0.692 20 0 BCADLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@H]2CO)C1 ZINC000934015381 631608137 /nfs/dbraw/zinc/60/81/37/631608137.db2.gz XDWSLUZDXSUDLB-VIFPVBQESA-N 1 2 242.319 0.672 20 0 BCADLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@H]2CO)C1 ZINC000934015381 631608147 /nfs/dbraw/zinc/60/81/47/631608147.db2.gz XDWSLUZDXSUDLB-VIFPVBQESA-N 1 2 242.319 0.672 20 0 BCADLO O=[S@](CC[N@H+]1CC[C@H]1CO)C(F)(F)F ZINC000934016076 631609883 /nfs/dbraw/zinc/60/98/83/631609883.db2.gz SBCSTXOGUUSWKN-DXRPGJJCSA-N 1 2 231.239 0.322 20 0 BCADLO O=[S@](CC[N@@H+]1CC[C@H]1CO)C(F)(F)F ZINC000934016076 631609890 /nfs/dbraw/zinc/60/98/90/631609890.db2.gz SBCSTXOGUUSWKN-DXRPGJJCSA-N 1 2 231.239 0.322 20 0 BCADLO COC(=O)[C@H]([N@@H+]1CC[C@@H]1CO)C1(OC)CCC1 ZINC000934017787 631615039 /nfs/dbraw/zinc/61/50/39/631615039.db2.gz HPYOJTCIXSVRNP-ZJUUUORDSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]([N@H+]1CC[C@@H]1CO)C1(OC)CCC1 ZINC000934017787 631615044 /nfs/dbraw/zinc/61/50/44/631615044.db2.gz HPYOJTCIXSVRNP-ZJUUUORDSA-N 1 2 243.303 0.164 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC001028362491 635659071 /nfs/dbraw/zinc/65/90/71/635659071.db2.gz INUZYWFKWZDWQV-VIFPVBQESA-N 1 2 240.332 0.496 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001028362491 635659073 /nfs/dbraw/zinc/65/90/73/635659073.db2.gz INUZYWFKWZDWQV-VIFPVBQESA-N 1 2 240.332 0.496 20 0 BCADLO COC(=O)c1coc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934024028 631624430 /nfs/dbraw/zinc/62/44/30/631624430.db2.gz NVHHAUYMCTXQTQ-VIFPVBQESA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1coc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934024028 631624434 /nfs/dbraw/zinc/62/44/34/631624434.db2.gz NVHHAUYMCTXQTQ-VIFPVBQESA-N 1 2 225.244 0.633 20 0 BCADLO CN(C(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934028343 631627276 /nfs/dbraw/zinc/62/72/76/631627276.db2.gz NEHLJRUJIADHHZ-GFCCVEGCSA-N 1 2 234.299 0.716 20 0 BCADLO CN(C(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934028343 631627280 /nfs/dbraw/zinc/62/72/80/631627280.db2.gz NEHLJRUJIADHHZ-GFCCVEGCSA-N 1 2 234.299 0.716 20 0 BCADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]2CO)o1 ZINC000934028995 631628997 /nfs/dbraw/zinc/62/89/97/631628997.db2.gz FXYYHPAVWCSFJR-MRVPVSSYSA-N 1 2 225.244 0.633 20 0 BCADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H]2CO)o1 ZINC000934028995 631629001 /nfs/dbraw/zinc/62/90/01/631629001.db2.gz FXYYHPAVWCSFJR-MRVPVSSYSA-N 1 2 225.244 0.633 20 0 BCADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@H]1CO ZINC000934028986 631629160 /nfs/dbraw/zinc/62/91/60/631629160.db2.gz FWLXVFGUSJAHQT-JTQLQIEISA-N 1 2 238.287 0.305 20 0 BCADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@H]1CO ZINC000934028986 631629164 /nfs/dbraw/zinc/62/91/64/631629164.db2.gz FWLXVFGUSJAHQT-JTQLQIEISA-N 1 2 238.287 0.305 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000924873211 635682786 /nfs/dbraw/zinc/68/27/86/635682786.db2.gz PVVFDJRDJWRBQV-HTRCEHHLSA-N 1 2 224.264 0.307 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C)o1 ZINC000934114628 631692609 /nfs/dbraw/zinc/69/26/09/631692609.db2.gz UZBRRGZWHYYLEN-DTWKUNHWSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C)o1 ZINC000934114628 631692611 /nfs/dbraw/zinc/69/26/11/631692611.db2.gz UZBRRGZWHYYLEN-DTWKUNHWSA-N 1 2 211.265 0.987 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1O ZINC000309013191 631799194 /nfs/dbraw/zinc/79/91/94/631799194.db2.gz YFEKXFRRUNYUJK-WPRPVWTQSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1O ZINC000309013191 631799200 /nfs/dbraw/zinc/79/92/00/631799200.db2.gz YFEKXFRRUNYUJK-WPRPVWTQSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1O ZINC000309013188 631799371 /nfs/dbraw/zinc/79/93/71/631799371.db2.gz YFEKXFRRUNYUJK-PSASIEDQSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1O ZINC000309013188 631799377 /nfs/dbraw/zinc/79/93/77/631799377.db2.gz YFEKXFRRUNYUJK-PSASIEDQSA-N 1 2 210.281 0.018 20 0 BCADLO CCc1nc(C[NH2+][C@H](CO)C2CC2)no1 ZINC000309026855 631805439 /nfs/dbraw/zinc/80/54/39/631805439.db2.gz BCTWMFVESZJKBN-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C ZINC000309044927 631823903 /nfs/dbraw/zinc/82/39/03/631823903.db2.gz NTZZNSAAALEZOP-RKDXNWHRSA-N 1 2 217.309 0.935 20 0 BCADLO Cc1cc(C[NH2+][C@@H](C)C(=O)N(C)C)no1 ZINC000044724978 631819648 /nfs/dbraw/zinc/81/96/48/631819648.db2.gz KRRCOIAUYZIGLL-QMMMGPOBSA-N 1 2 211.265 0.549 20 0 BCADLO Cc1nonc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309089495 631875874 /nfs/dbraw/zinc/87/58/74/631875874.db2.gz ANMYXUMDNUTGBX-GMSGAONNSA-N 1 2 210.281 0.418 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000934573372 631947342 /nfs/dbraw/zinc/94/73/42/631947342.db2.gz FKIGZGRKAIBNDU-NXEZZACHSA-N 1 2 213.256 0.325 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@@H](O)[C@H](F)C1)CC(F)(F)F ZINC000934573175 631948171 /nfs/dbraw/zinc/94/81/71/631948171.db2.gz NIJRDBDFTWQZNE-XLPZGREQSA-N 1 2 245.216 0.704 20 0 BCADLO O[C@H](C[N@H+]1CC[C@@H](O)[C@H](F)C1)CC(F)(F)F ZINC000934573175 631948173 /nfs/dbraw/zinc/94/81/73/631948173.db2.gz NIJRDBDFTWQZNE-XLPZGREQSA-N 1 2 245.216 0.704 20 0 BCADLO Nc1ccc(CN2CCCS2(=O)=O)c[nH+]1 ZINC000050829544 632062425 /nfs/dbraw/zinc/06/24/25/632062425.db2.gz UMKFXIIXFOPAIK-UHFFFAOYSA-N 1 2 227.289 0.199 20 0 BCADLO Cc1[nH]c(C=O)cc1C(=O)NCc1c[nH+]cn1C ZINC000292718804 632082556 /nfs/dbraw/zinc/08/25/56/632082556.db2.gz OTCRCIHTEWTSFN-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO CC[C@@H](O[NH+]=C(N)Cc1ccccc1)C(N)=O ZINC000159397414 635819295 /nfs/dbraw/zinc/81/92/95/635819295.db2.gz MTMTUZZXTOIZNG-SNVBAGLBSA-N 1 2 235.287 0.782 20 0 BCADLO CCCOC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000308967211 632596400 /nfs/dbraw/zinc/59/64/00/632596400.db2.gz NCMCCOYSJKGQFR-SECBINFHSA-N 1 2 216.281 0.453 20 0 BCADLO CCCOC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000308967211 632596413 /nfs/dbraw/zinc/59/64/13/632596413.db2.gz NCMCCOYSJKGQFR-SECBINFHSA-N 1 2 216.281 0.453 20 0 BCADLO CC(C)N(C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000290140023 632647980 /nfs/dbraw/zinc/64/79/80/632647980.db2.gz HZKAFRXDYHTUPI-UHFFFAOYSA-N 1 2 246.336 0.095 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000309683043 632650757 /nfs/dbraw/zinc/65/07/57/632650757.db2.gz NRIDFFDVVQNWEZ-NSHDSACASA-N 1 2 229.320 0.936 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291380158 632651568 /nfs/dbraw/zinc/65/15/68/632651568.db2.gz ZVGBVJOQPOFVNJ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCN1C ZINC000309744430 632662582 /nfs/dbraw/zinc/66/25/82/632662582.db2.gz IRDXLSPGAXGBFF-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCN1C ZINC000309744430 632662586 /nfs/dbraw/zinc/66/25/86/632662586.db2.gz IRDXLSPGAXGBFF-RKDXNWHRSA-N 1 2 240.269 0.936 20 0 BCADLO Cc1nonc1C[N@@H+](CCOCCO)C(C)C ZINC000310165032 632706007 /nfs/dbraw/zinc/70/60/07/632706007.db2.gz NLTIYRSZBCLENY-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO Cc1nonc1C[N@H+](CCOCCO)C(C)C ZINC000310165032 632706011 /nfs/dbraw/zinc/70/60/11/632706011.db2.gz NLTIYRSZBCLENY-UHFFFAOYSA-N 1 2 243.307 0.597 20 0 BCADLO COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923777256 632800621 /nfs/dbraw/zinc/80/06/21/632800621.db2.gz YZYFYTIHZZYBSN-ZJUUUORDSA-N 1 2 229.276 0.039 20 0 BCADLO CN(C)c1cc(N[C@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000892622385 633020088 /nfs/dbraw/zinc/02/00/88/633020088.db2.gz KCYUVURJOXTVFY-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO CN(C)c1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000892622385 633020089 /nfs/dbraw/zinc/02/00/89/633020089.db2.gz KCYUVURJOXTVFY-QMMMGPOBSA-N 1 2 235.291 0.185 20 0 BCADLO C[C@@H](CCO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000894409177 635892191 /nfs/dbraw/zinc/89/21/91/635892191.db2.gz LBBOVUZOHBRUKZ-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO C[C@@H](CCO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000894409177 635892194 /nfs/dbraw/zinc/89/21/94/635892194.db2.gz LBBOVUZOHBRUKZ-VIFPVBQESA-N 1 2 224.308 0.750 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NOCC1CC1 ZINC000293808020 633236960 /nfs/dbraw/zinc/23/69/60/633236960.db2.gz QIQMGJVEYAMFTD-UHFFFAOYSA-N 1 2 209.249 0.800 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NOCC1CC1 ZINC000293808020 633236966 /nfs/dbraw/zinc/23/69/66/633236966.db2.gz QIQMGJVEYAMFTD-UHFFFAOYSA-N 1 2 209.249 0.800 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C)CC1 ZINC000928542643 636077562 /nfs/dbraw/zinc/07/75/62/636077562.db2.gz YRYQJDTXGZOVEN-SECBINFHSA-N 1 2 237.303 0.898 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)c1ccc(O)cc1 ZINC000928558563 636099326 /nfs/dbraw/zinc/09/93/26/636099326.db2.gz XFLZXVYTKIXZEK-JTQLQIEISA-N 1 2 248.282 0.395 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)c1ccc(O)cc1 ZINC000928558563 636099331 /nfs/dbraw/zinc/09/93/31/636099331.db2.gz XFLZXVYTKIXZEK-JTQLQIEISA-N 1 2 248.282 0.395 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(O)c(F)c1 ZINC000928560703 636104900 /nfs/dbraw/zinc/10/49/00/636104900.db2.gz SQCKZBPNRISGOZ-VIFPVBQESA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(O)c(F)c1 ZINC000928560703 636104904 /nfs/dbraw/zinc/10/49/04/636104904.db2.gz SQCKZBPNRISGOZ-VIFPVBQESA-N 1 2 238.262 0.965 20 0 BCADLO Cc1nc(Cc2noc([C@@H](C)[NH+](C)C)n2)no1 ZINC000923790375 633783391 /nfs/dbraw/zinc/78/33/91/633783391.db2.gz CLKVRFQITJWSFM-ZCFIWIBFSA-N 1 2 237.263 0.974 20 0 BCADLO Cc1cc([C@@H](C)[NH2+]CCS(C)(=O)=O)nn1C ZINC000309447343 633920322 /nfs/dbraw/zinc/92/03/22/633920322.db2.gz LSJKFWCSDRUCQX-SECBINFHSA-N 1 2 245.348 0.424 20 0 BCADLO O=S(=O)(CC[NH2+]Cc1ncc[nH]1)CC1CC1 ZINC000309596085 633963361 /nfs/dbraw/zinc/96/33/61/633963361.db2.gz UQAMCNXYMCMMII-UHFFFAOYSA-N 1 2 243.332 0.324 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC2(CCC2)CO1 ZINC000924113699 633967773 /nfs/dbraw/zinc/96/77/73/633967773.db2.gz FHWTWYPJNKYDRL-NSHDSACASA-N 1 2 249.314 0.959 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cn2ccnc2s1 ZINC000895472792 636147928 /nfs/dbraw/zinc/14/79/28/636147928.db2.gz HJHQVCGGFFGKIH-UHFFFAOYSA-N 1 2 238.316 0.574 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cn2ccnc2s1 ZINC000895472792 636147930 /nfs/dbraw/zinc/14/79/30/636147930.db2.gz HJHQVCGGFFGKIH-UHFFFAOYSA-N 1 2 238.316 0.574 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CC(C)C1 ZINC000930694040 634038883 /nfs/dbraw/zinc/03/88/83/634038883.db2.gz YKXWDAAPPPWOFE-NWGYLPEXSA-N 1 2 215.293 0.546 20 0 BCADLO O=C(N1CC[NH+](CCO)CC1)C1(C2CC2)CC1 ZINC000895582205 636163826 /nfs/dbraw/zinc/16/38/26/636163826.db2.gz DEZCVPNSYWUDCI-UHFFFAOYSA-N 1 2 238.331 0.313 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930737327 634074383 /nfs/dbraw/zinc/07/43/83/634074383.db2.gz HGQSYGVXGPGILY-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000930737327 634074388 /nfs/dbraw/zinc/07/43/88/634074388.db2.gz HGQSYGVXGPGILY-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000930747652 634084298 /nfs/dbraw/zinc/08/42/98/634084298.db2.gz MFRWCHSIBPSNAF-GXSJLCMTSA-N 1 2 234.303 0.748 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC000930747652 634084300 /nfs/dbraw/zinc/08/43/00/634084300.db2.gz MFRWCHSIBPSNAF-GXSJLCMTSA-N 1 2 234.303 0.748 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccnc(N)c2)[C@H]1C ZINC000930839821 634131231 /nfs/dbraw/zinc/13/12/31/634131231.db2.gz QJDVUZRXQDHDDA-GUBZILKMSA-N 1 2 248.330 0.761 20 0 BCADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccnc(N)c2)[C@H]1C ZINC000930839821 634131234 /nfs/dbraw/zinc/13/12/34/634131234.db2.gz QJDVUZRXQDHDDA-GUBZILKMSA-N 1 2 248.330 0.761 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930862338 634142053 /nfs/dbraw/zinc/14/20/53/634142053.db2.gz KGCZAEIWASERJJ-YRDSPJHYSA-N 1 2 243.328 0.311 20 0 BCADLO CCOC(=O)/C=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930862338 634142057 /nfs/dbraw/zinc/14/20/57/634142057.db2.gz KGCZAEIWASERJJ-YRDSPJHYSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930863756 634142170 /nfs/dbraw/zinc/14/21/70/634142170.db2.gz QOGKNYMWJQUZNV-QXQOWCCISA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930863756 634142173 /nfs/dbraw/zinc/14/21/73/634142173.db2.gz QOGKNYMWJQUZNV-QXQOWCCISA-N 1 2 243.328 0.311 20 0 BCADLO C[C@H]1C[N@H+](Cc2nncs2)C[C@@]1(C)CO ZINC000931065198 634209922 /nfs/dbraw/zinc/20/99/22/634209922.db2.gz FXCFNDVRIPRSNH-WPRPVWTQSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nncs2)C[C@@]1(C)CO ZINC000931065198 634209926 /nfs/dbraw/zinc/20/99/26/634209926.db2.gz FXCFNDVRIPRSNH-WPRPVWTQSA-N 1 2 227.333 0.988 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC001027710128 635119691 /nfs/dbraw/zinc/11/96/91/635119691.db2.gz LLXJAFVLVYNPGF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1ncccn1 ZINC001027710128 635119693 /nfs/dbraw/zinc/11/96/93/635119693.db2.gz LLXJAFVLVYNPGF-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001027709790 635119719 /nfs/dbraw/zinc/11/97/19/635119719.db2.gz FBUVSKJPBGLYRH-NSHDSACASA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001027709790 635119722 /nfs/dbraw/zinc/11/97/22/635119722.db2.gz FBUVSKJPBGLYRH-NSHDSACASA-N 1 2 223.276 0.775 20 0 BCADLO CCN(C(=O)[C@@H]1CC1(F)F)C1C[NH+](CCO)C1 ZINC000950031673 635215335 /nfs/dbraw/zinc/21/53/35/635215335.db2.gz YUORETWSYWHMJR-VIFPVBQESA-N 1 2 248.273 0.167 20 0 BCADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1cnco1 ZINC001028057434 635339141 /nfs/dbraw/zinc/33/91/41/635339141.db2.gz JLRRQSWRBQBVAO-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1cnco1 ZINC001028057434 635339149 /nfs/dbraw/zinc/33/91/49/635339149.db2.gz JLRRQSWRBQBVAO-SECBINFHSA-N 1 2 241.266 0.838 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC000957992871 635483940 /nfs/dbraw/zinc/48/39/40/635483940.db2.gz RMRVETFAOJVFDJ-PJXYFTJBSA-N 1 2 248.330 0.469 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC000957992871 635483950 /nfs/dbraw/zinc/48/39/50/635483950.db2.gz RMRVETFAOJVFDJ-PJXYFTJBSA-N 1 2 248.330 0.469 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncn1C ZINC001029180670 636003444 /nfs/dbraw/zinc/00/34/44/636003444.db2.gz XQORKOHJLGCDMF-TXEJJXNPSA-N 1 2 248.330 0.615 20 0 BCADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncn1C ZINC001029180670 636003447 /nfs/dbraw/zinc/00/34/47/636003447.db2.gz XQORKOHJLGCDMF-TXEJJXNPSA-N 1 2 248.330 0.615 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000895464659 636147183 /nfs/dbraw/zinc/14/71/83/636147183.db2.gz JKKRHALJSPDCKV-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1COC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000895907359 636182620 /nfs/dbraw/zinc/18/26/20/636182620.db2.gz CKSHJUMLVSDGRK-BDAKNGLRSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@@H]1COC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000895907359 636182622 /nfs/dbraw/zinc/18/26/22/636182622.db2.gz CKSHJUMLVSDGRK-BDAKNGLRSA-N 1 2 222.292 0.989 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cnn(C)n1 ZINC000925132350 636191828 /nfs/dbraw/zinc/19/18/28/636191828.db2.gz XIMPJDDNTMNECR-DTWKUNHWSA-N 1 2 234.307 0.960 20 0 BCADLO CC(=O)CC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000127017801 636192760 /nfs/dbraw/zinc/19/27/60/636192760.db2.gz KPFUQUZFSCACAD-UHFFFAOYSA-N 1 2 227.308 0.265 20 0 BCADLO Cc1nc(NC[C@H](O)c2ccnn2C)cc[nH+]1 ZINC000896630818 636209832 /nfs/dbraw/zinc/20/98/32/636209832.db2.gz UUVZQEVOMOOJOB-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO Cn1nccc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000896861181 636234336 /nfs/dbraw/zinc/23/43/36/636234336.db2.gz DBDQGJRNWPEMAT-UHFFFAOYSA-N 1 2 244.258 0.909 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000928905767 636488613 /nfs/dbraw/zinc/48/86/13/636488613.db2.gz CIXZKUFUJDHAJK-MWLCHTKSSA-N 1 2 237.303 0.504 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000928908526 636493591 /nfs/dbraw/zinc/49/35/91/636493591.db2.gz IGHOQCGPTITBRQ-BDAKNGLRSA-N 1 2 223.276 0.493 20 0 BCADLO CNc1cc(N2CC[C@H](O)[C@H](C)C2)nc[nH+]1 ZINC000127637191 636654865 /nfs/dbraw/zinc/65/48/65/636654865.db2.gz WZHJLUWKGNTTLV-BDAKNGLRSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2CC[C@H](O)[C@H](C)C2)[nH+]cn1 ZINC000127637191 636654870 /nfs/dbraw/zinc/65/48/70/636654870.db2.gz WZHJLUWKGNTTLV-BDAKNGLRSA-N 1 2 222.292 0.725 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925286870 636726434 /nfs/dbraw/zinc/72/64/34/636726434.db2.gz AYSYYTBBYXIBPU-UJNFCWOMSA-N 1 2 223.276 0.966 20 0 BCADLO CC[C@@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000929155373 636858309 /nfs/dbraw/zinc/85/83/09/636858309.db2.gz ATFOVNLTAQMIKG-LLVKDONJSA-N 1 2 225.292 0.550 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689822 636930656 /nfs/dbraw/zinc/93/06/56/636930656.db2.gz NEJYRGJHEPPKOC-UHFFFAOYSA-N 1 2 249.314 0.599 20 0 BCADLO CCNC(=O)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689822 636930660 /nfs/dbraw/zinc/93/06/60/636930660.db2.gz NEJYRGJHEPPKOC-UHFFFAOYSA-N 1 2 249.314 0.599 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000924631250 636948169 /nfs/dbraw/zinc/94/81/69/636948169.db2.gz FQKODWGNXARWHW-CBAPKCEASA-N 1 2 238.291 0.697 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000924631249 636948276 /nfs/dbraw/zinc/94/82/76/636948276.db2.gz FQKODWGNXARWHW-APPZFPTMSA-N 1 2 238.291 0.697 20 0 BCADLO C[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898888862 637063831 /nfs/dbraw/zinc/06/38/31/637063831.db2.gz QXKBIEHJLQYXCU-SCZZXKLOSA-N 1 2 237.303 0.616 20 0 BCADLO CCn1cc(C[N@H+](C[C@H](C)O)C2CC2)nn1 ZINC000899877106 637146463 /nfs/dbraw/zinc/14/64/63/637146463.db2.gz CBKJPMSGXKOZEG-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO CCn1cc(C[N@@H+](C[C@H](C)O)C2CC2)nn1 ZINC000899877106 637146468 /nfs/dbraw/zinc/14/64/68/637146468.db2.gz CBKJPMSGXKOZEG-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO COC/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000144 637223974 /nfs/dbraw/zinc/22/39/74/637223974.db2.gz KSVXTKSPCLHRER-SNAWJCMRSA-N 1 2 223.276 0.845 20 0 BCADLO COCC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000144 637223985 /nfs/dbraw/zinc/22/39/85/637223985.db2.gz KSVXTKSPCLHRER-SNAWJCMRSA-N 1 2 223.276 0.845 20 0 BCADLO O=C(CCO)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000902908634 637337556 /nfs/dbraw/zinc/33/75/56/637337556.db2.gz CDTQFZBTTVVKKV-JTQLQIEISA-N 1 2 235.287 0.159 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903122160 637344974 /nfs/dbraw/zinc/34/49/74/637344974.db2.gz WKXQBBYBNBFNKU-RYUDHWBXSA-N 1 2 237.303 0.756 20 0 BCADLO COC(=O)Cn1cc(COc2cc[nH+]cc2)nn1 ZINC000905091875 637589060 /nfs/dbraw/zinc/58/90/60/637589060.db2.gz KYUUCGQCBRMYFO-UHFFFAOYSA-N 1 2 248.242 0.425 20 0 BCADLO CCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905145961 637654223 /nfs/dbraw/zinc/65/42/23/637654223.db2.gz UIJMDKSKDACERD-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C)CC2)C1 ZINC000905743653 637903728 /nfs/dbraw/zinc/90/37/28/637903728.db2.gz XYDZJSFVDLJDMP-QWRGUYRKSA-N 1 2 242.319 0.302 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C)CC2)C1 ZINC000905743653 637903733 /nfs/dbraw/zinc/90/37/33/637903733.db2.gz XYDZJSFVDLJDMP-QWRGUYRKSA-N 1 2 242.319 0.302 20 0 BCADLO Nc1ccc(Cn2cc(C3(F)COC3)nn2)c[nH+]1 ZINC000905817481 637944266 /nfs/dbraw/zinc/94/42/66/637944266.db2.gz QIDCJFMUFICHIQ-UHFFFAOYSA-N 1 2 249.249 0.499 20 0 BCADLO CC[C@@H]1C[C@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000905829188 637946222 /nfs/dbraw/zinc/94/62/22/637946222.db2.gz AYWWXERAJMKWJI-MNOVXSKESA-N 1 2 238.335 0.748 20 0 BCADLO CC[C@@H]1C[C@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000905829188 637946226 /nfs/dbraw/zinc/94/62/26/637946226.db2.gz AYWWXERAJMKWJI-MNOVXSKESA-N 1 2 238.335 0.748 20 0 BCADLO COCC1C[NH+](CC[S@](=O)C(F)(F)F)C1 ZINC000905971354 637986359 /nfs/dbraw/zinc/98/63/59/637986359.db2.gz NJHASGDTEYXAKB-HNNXBMFYSA-N 1 2 245.266 0.833 20 0 BCADLO Cc1nnc(Cc2noc([C@H](C)[NH+](C)C)n2)[nH]1 ZINC000906121774 638062602 /nfs/dbraw/zinc/06/26/02/638062602.db2.gz DCEPFLWFMMDPNX-LURJTMIESA-N 1 2 236.279 0.710 20 0 BCADLO C[C@H](C(=O)NCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000906131290 638069162 /nfs/dbraw/zinc/06/91/62/638069162.db2.gz WFYNKZWOMPPIAX-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO OC[C@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906255794 638119496 /nfs/dbraw/zinc/11/94/96/638119496.db2.gz VRWUVCHLZHNBCV-JTQLQIEISA-N 1 2 236.319 0.817 20 0 BCADLO OC[C@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906255794 638119498 /nfs/dbraw/zinc/11/94/98/638119498.db2.gz VRWUVCHLZHNBCV-JTQLQIEISA-N 1 2 236.319 0.817 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906280136 638126187 /nfs/dbraw/zinc/12/61/87/638126187.db2.gz KZOHLINGCBTABJ-GZMMTYOYSA-N 1 2 222.292 0.426 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C3CC3)nn2)C[C@H]1O ZINC000906280136 638126192 /nfs/dbraw/zinc/12/61/92/638126192.db2.gz KZOHLINGCBTABJ-GZMMTYOYSA-N 1 2 222.292 0.426 20 0 BCADLO C[N@H+](Cc1cn(C2CC2)nn1)[C@@H]1CCOC1 ZINC000906266314 638130821 /nfs/dbraw/zinc/13/08/21/638130821.db2.gz FSZYWODDVXNLQB-LLVKDONJSA-N 1 2 222.292 0.834 20 0 BCADLO C[N@@H+](Cc1cn(C2CC2)nn1)[C@@H]1CCOC1 ZINC000906266314 638130826 /nfs/dbraw/zinc/13/08/26/638130826.db2.gz FSZYWODDVXNLQB-LLVKDONJSA-N 1 2 222.292 0.834 20 0 BCADLO C[N@H+](Cc1cn(C2CC2)nn1)C1CC(O)C1 ZINC000906295064 638134978 /nfs/dbraw/zinc/13/49/78/638134978.db2.gz ZSHKYKJCASJJQF-UHFFFAOYSA-N 1 2 222.292 0.568 20 0 BCADLO C[N@@H+](Cc1cn(C2CC2)nn1)C1CC(O)C1 ZINC000906295064 638134981 /nfs/dbraw/zinc/13/49/81/638134981.db2.gz ZSHKYKJCASJJQF-UHFFFAOYSA-N 1 2 222.292 0.568 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906323922 638145353 /nfs/dbraw/zinc/14/53/53/638145353.db2.gz FMUMNWVEIICQRV-LDYMZIIASA-N 1 2 220.276 0.180 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC000906323922 638145355 /nfs/dbraw/zinc/14/53/55/638145355.db2.gz FMUMNWVEIICQRV-LDYMZIIASA-N 1 2 220.276 0.180 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC[N@@H+]1C ZINC000906816640 638246935 /nfs/dbraw/zinc/24/69/35/638246935.db2.gz UTHBSIGQGORWFA-CNVPUSNMSA-N 1 2 236.315 0.374 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC[N@H+]1C ZINC000906816640 638246939 /nfs/dbraw/zinc/24/69/39/638246939.db2.gz UTHBSIGQGORWFA-CNVPUSNMSA-N 1 2 236.315 0.374 20 0 BCADLO COC(=O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000907022152 638287887 /nfs/dbraw/zinc/28/78/87/638287887.db2.gz UVPQVCKCKYQWPB-UHFFFAOYSA-N 1 2 247.254 0.514 20 0 BCADLO Cc1cc(C)c(C(=O)N[C@@H]2CNC(=O)C2)c(C)[nH+]1 ZINC000907239842 638328244 /nfs/dbraw/zinc/32/82/44/638328244.db2.gz YPESWVNXCAPEPR-JTQLQIEISA-N 1 2 247.298 0.625 20 0 BCADLO CCc1nc[nH]c1C(=O)NCCc1c[nH+]cn1C ZINC000907308575 638338200 /nfs/dbraw/zinc/33/82/00/638338200.db2.gz VVNMEHHEUBFNNT-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CCO)c1ccco1 ZINC000907437300 638382112 /nfs/dbraw/zinc/38/21/12/638382112.db2.gz LBESQWKOSZENDQ-JTQLQIEISA-N 1 2 249.270 0.785 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)C1 ZINC000907515008 638400096 /nfs/dbraw/zinc/40/00/96/638400096.db2.gz IUTUCTVXQWIJBS-ZMLRMANQSA-N 1 2 236.315 0.420 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907550691 638404254 /nfs/dbraw/zinc/40/42/54/638404254.db2.gz RDEGCTRZZVAZTG-CYBMUJFWSA-N 1 2 249.314 0.867 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1O ZINC000907608279 638408817 /nfs/dbraw/zinc/40/88/17/638408817.db2.gz DKDRGMYPYXMNPE-SNVBAGLBSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)[C@H](C)O1 ZINC000907613730 638432310 /nfs/dbraw/zinc/43/23/10/638432310.db2.gz ZWRRKBDXGZXSSA-BBBLOLIVSA-N 1 2 237.303 0.977 20 0 BCADLO CC[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000907705141 638449983 /nfs/dbraw/zinc/44/99/83/638449983.db2.gz QYKSOTCRGUDKBQ-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(OC)OC ZINC000907734629 638460048 /nfs/dbraw/zinc/46/00/48/638460048.db2.gz ULHDRRDYFOPTTF-SECBINFHSA-N 1 2 241.291 0.466 20 0 BCADLO COc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000907770263 638466178 /nfs/dbraw/zinc/46/61/78/638466178.db2.gz ORFFWARNZRQPDU-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCF ZINC000907834736 638484610 /nfs/dbraw/zinc/48/46/10/638484610.db2.gz BFQVEYZXMVZTMP-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCSC1 ZINC000907852817 638487701 /nfs/dbraw/zinc/48/77/01/638487701.db2.gz WYSLWYGXQSCPIR-MRVPVSSYSA-N 1 2 225.317 0.822 20 0 BCADLO CCC1(O)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000908055366 638553889 /nfs/dbraw/zinc/55/38/89/638553889.db2.gz HNNZLBUBKHZFPR-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCCOC(F)F ZINC000908046831 638560887 /nfs/dbraw/zinc/56/08/87/638560887.db2.gz WAZRBSWDULQNKE-UHFFFAOYSA-N 1 2 233.218 0.698 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000908257670 638625409 /nfs/dbraw/zinc/62/54/09/638625409.db2.gz FALQCUFABAZPSA-PSASIEDQSA-N 1 2 225.292 0.443 20 0 BCADLO CCN(C[C@H](C)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000908330307 638654150 /nfs/dbraw/zinc/65/41/50/638654150.db2.gz VPVLCCQYZBMYOW-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000908348499 638660745 /nfs/dbraw/zinc/66/07/45/638660745.db2.gz KDIAMLTUDPTRLX-URLYPYJESA-N 1 2 247.298 0.190 20 0 BCADLO CCN(CC(C)=O)C(=O)Cc1c[nH+]cn1C ZINC000908389068 638688482 /nfs/dbraw/zinc/68/84/82/638688482.db2.gz QSXFRKJNNPCYLQ-UHFFFAOYSA-N 1 2 223.276 0.400 20 0 BCADLO COC[C@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000908407815 638697182 /nfs/dbraw/zinc/69/71/82/638697182.db2.gz LWBXSGHPYFEKPH-SNVBAGLBSA-N 1 2 235.287 0.741 20 0 BCADLO C[C@H]1CCC[C@]1(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908446239 638719656 /nfs/dbraw/zinc/71/96/56/638719656.db2.gz RPGDGCWGNRBRDU-CABZTGNLSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(NC1CC(=O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000908464961 638724067 /nfs/dbraw/zinc/72/40/67/638724067.db2.gz DMGCKRPOHCIFBD-QMMMGPOBSA-N 1 2 233.271 0.293 20 0 BCADLO O=C(NC1CC(=O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000908473112 638740067 /nfs/dbraw/zinc/74/00/67/638740067.db2.gz QJUQDAGHRBWWAH-MRVPVSSYSA-N 1 2 233.271 0.293 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CO)CC1 ZINC000908453269 638741983 /nfs/dbraw/zinc/74/19/83/638741983.db2.gz UXTPOAMWLVSBCM-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO CCOC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908454742 638742966 /nfs/dbraw/zinc/74/29/66/638742966.db2.gz LOXJMVSAHWITAU-UHFFFAOYSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@](O)(C(F)F)C1 ZINC000908689336 639045146 /nfs/dbraw/zinc/04/51/46/639045146.db2.gz VMGISXYDIKFCEH-SNVBAGLBSA-N 1 2 245.229 0.181 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N2CCOC2)c[nH+]1 ZINC000908707239 639056905 /nfs/dbraw/zinc/05/69/05/639056905.db2.gz SGQJPBYVUZCRFE-UHFFFAOYSA-N 1 2 223.276 0.743 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000908963365 639105492 /nfs/dbraw/zinc/10/54/92/639105492.db2.gz WRBDPBFGMITFCM-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO CO[C@H]([C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000909264193 639187260 /nfs/dbraw/zinc/18/72/60/639187260.db2.gz CLYGCBJOLUWBAV-QPUJVOFHSA-N 1 2 237.303 0.882 20 0 BCADLO C/C=C/[C@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856531 639232909 /nfs/dbraw/zinc/23/29/09/639232909.db2.gz NOBQKKDZOVFVSJ-FSIBCCDJSA-N 1 2 223.276 0.016 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c1 ZINC000909857616 639233517 /nfs/dbraw/zinc/23/35/17/639233517.db2.gz WWYRTFONDKLODP-ZMLRMANQSA-N 1 2 247.298 0.304 20 0 BCADLO CCc1nc[nH]c1C(=O)NCCc1cn(C)c[nH+]1 ZINC000909858112 639233872 /nfs/dbraw/zinc/23/38/72/639233872.db2.gz YWUTYVRCQVZKEN-UHFFFAOYSA-N 1 2 247.302 0.678 20 0 BCADLO CCC[C@H](O)C(=O)OCCCn1cc[nH+]c1 ZINC000909876324 639249309 /nfs/dbraw/zinc/24/93/09/639249309.db2.gz VCEYZLWUITZZNQ-JTQLQIEISA-N 1 2 226.276 0.977 20 0 BCADLO CC[C@@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000909929091 639279996 /nfs/dbraw/zinc/27/99/96/639279996.db2.gz FZVKMWDHWWMWPW-LLVKDONJSA-N 1 2 224.260 0.868 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC=CC1 ZINC000910005636 639319726 /nfs/dbraw/zinc/31/97/26/639319726.db2.gz VNPDXZXAZKOPRH-SNVBAGLBSA-N 1 2 217.272 0.844 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCOC1 ZINC000910037720 639345944 /nfs/dbraw/zinc/34/59/44/639345944.db2.gz KLTFKVDMEOSIMX-SECBINFHSA-N 1 2 222.244 0.744 20 0 BCADLO COCC[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000910407717 639450894 /nfs/dbraw/zinc/45/08/94/639450894.db2.gz DWHMYOGWGIKMHO-SECBINFHSA-N 1 2 225.292 0.741 20 0 BCADLO COC(=O)[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000910463395 639457897 /nfs/dbraw/zinc/45/78/97/639457897.db2.gz YKJVRMRPQGMPFU-OCAPTIKFSA-N 1 2 237.259 0.020 20 0 BCADLO COCn1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000910631603 639492811 /nfs/dbraw/zinc/49/28/11/639492811.db2.gz JXSVEOHJWADBBV-UHFFFAOYSA-N 1 2 249.274 0.781 20 0 BCADLO COCn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000910628394 639492935 /nfs/dbraw/zinc/49/29/35/639492935.db2.gz YSHGXMHPNYJSJI-UHFFFAOYSA-N 1 2 235.247 0.322 20 0 BCADLO Cc1cnc(CNC(=O)CCn2cc[nH+]c2)nc1 ZINC000910657332 639495626 /nfs/dbraw/zinc/49/56/26/639495626.db2.gz AKZCNGGJIOXERY-UHFFFAOYSA-N 1 2 245.286 0.688 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cc(CO)ccn1 ZINC000911227938 639602108 /nfs/dbraw/zinc/60/21/08/639602108.db2.gz FMRVPWNKELWZAK-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO Cc1cc(CCC(=O)NCCn2cc[nH+]c2)no1 ZINC000930223458 639642962 /nfs/dbraw/zinc/64/29/62/639642962.db2.gz XGXTZJBADKQAJS-UHFFFAOYSA-N 1 2 248.286 0.929 20 0 BCADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C)C2)c1 ZINC000930242125 639650054 /nfs/dbraw/zinc/65/00/54/639650054.db2.gz OZEXJXMNHXTGJB-UHFFFAOYSA-N 1 2 219.288 0.930 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CO1 ZINC000911600561 639673176 /nfs/dbraw/zinc/67/31/76/639673176.db2.gz ZZTZKMLHMQJGOM-VXNVDRBHSA-N 1 2 209.249 0.246 20 0 BCADLO CCc1ncc(C[N@@H+](CC)[C@H]2CCNC2=O)o1 ZINC000930327745 639708739 /nfs/dbraw/zinc/70/87/39/639708739.db2.gz YQGTVGAOPADZAU-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO CCc1ncc(C[N@H+](CC)[C@H]2CCNC2=O)o1 ZINC000930327745 639708744 /nfs/dbraw/zinc/70/87/44/639708744.db2.gz YQGTVGAOPADZAU-JTQLQIEISA-N 1 2 237.303 0.947 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000930347820 639720183 /nfs/dbraw/zinc/72/01/83/639720183.db2.gz VGPMTKMZALOMLS-VIFPVBQESA-N 1 2 241.262 0.373 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000930347820 639720188 /nfs/dbraw/zinc/72/01/88/639720188.db2.gz VGPMTKMZALOMLS-VIFPVBQESA-N 1 2 241.262 0.373 20 0 BCADLO O[C@@H](C[N@@H+]1Cc2ccncc2C1)C1(O)CCC1 ZINC000930462432 639765374 /nfs/dbraw/zinc/76/53/74/639765374.db2.gz JKRAYCKVKZUSSI-LBPRGKRZSA-N 1 2 234.299 0.673 20 0 BCADLO O[C@@H](C[N@H+]1Cc2ccncc2C1)C1(O)CCC1 ZINC000930462432 639765381 /nfs/dbraw/zinc/76/53/81/639765381.db2.gz JKRAYCKVKZUSSI-LBPRGKRZSA-N 1 2 234.299 0.673 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000930462065 639765761 /nfs/dbraw/zinc/76/57/61/639765761.db2.gz FEHKTZLXFIHKFT-KCJUWKMLSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@@H](O)[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000930462065 639765765 /nfs/dbraw/zinc/76/57/65/639765765.db2.gz FEHKTZLXFIHKFT-KCJUWKMLSA-N 1 2 208.261 0.139 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930468601 639767516 /nfs/dbraw/zinc/76/75/16/639767516.db2.gz FTFBOJOVUMLFLO-DJLDLDEBSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930468601 639767517 /nfs/dbraw/zinc/76/75/17/639767517.db2.gz FTFBOJOVUMLFLO-DJLDLDEBSA-N 1 2 239.262 0.084 20 0 BCADLO CCOC(=O)/C=C/C[N@H+](C1CC1)C1COC1 ZINC000930598177 639816352 /nfs/dbraw/zinc/81/63/52/639816352.db2.gz PYJSYILVDIIKRW-ONEGZZNKSA-N 1 2 225.288 0.969 20 0 BCADLO CCOC(=O)/C=C/C[N@@H+](C1CC1)C1COC1 ZINC000930598177 639816353 /nfs/dbraw/zinc/81/63/53/639816353.db2.gz PYJSYILVDIIKRW-ONEGZZNKSA-N 1 2 225.288 0.969 20 0 BCADLO CON1CC[C@@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000930603881 639817837 /nfs/dbraw/zinc/81/78/37/639817837.db2.gz SJZRUHGSUUBFCO-HTQZYQBOSA-N 1 2 202.229 0.193 20 0 BCADLO CON1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000930603881 639817838 /nfs/dbraw/zinc/81/78/38/639817838.db2.gz SJZRUHGSUUBFCO-HTQZYQBOSA-N 1 2 202.229 0.193 20 0 BCADLO COC/C(C)=C/C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000930642038 639839340 /nfs/dbraw/zinc/83/93/40/639839340.db2.gz VDTXKQAOZMNNQE-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000930642038 639839343 /nfs/dbraw/zinc/83/93/43/639839343.db2.gz VDTXKQAOZMNNQE-WXLQGSQKSA-N 1 2 212.293 0.399 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nncs2)C1 ZINC000930670171 639851187 /nfs/dbraw/zinc/85/11/87/639851187.db2.gz GISBYYYZZFSBMN-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nncs2)C1 ZINC000930670171 639851192 /nfs/dbraw/zinc/85/11/92/639851192.db2.gz GISBYYYZZFSBMN-SFYZADRCSA-N 1 2 213.306 0.741 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000930678080 639860205 /nfs/dbraw/zinc/86/02/05/639860205.db2.gz UOHOCIZFDCOJNJ-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ncccc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000930678080 639860209 /nfs/dbraw/zinc/86/02/09/639860209.db2.gz UOHOCIZFDCOJNJ-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO CCC[C@H](C)[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911875626 639863619 /nfs/dbraw/zinc/86/36/19/639863619.db2.gz UJXLRLISFYGZJP-GXSJLCMTSA-N 1 2 239.319 0.866 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911875628 639863845 /nfs/dbraw/zinc/86/38/45/639863845.db2.gz UJXLRLISFYGZJP-MWLCHTKSSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](CCO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000911919112 639877637 /nfs/dbraw/zinc/87/76/37/639877637.db2.gz RZSLHJIAZHHXMR-JTQLQIEISA-N 1 2 237.303 0.723 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]1CO ZINC000911945328 639891136 /nfs/dbraw/zinc/89/11/36/639891136.db2.gz HAXADMOMNRCAAY-LLVKDONJSA-N 1 2 237.303 0.716 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nn(C)cc2C)C1 ZINC000930747312 639893731 /nfs/dbraw/zinc/89/37/31/639893731.db2.gz JZSHUGOLJIMUFH-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nn(C)cc2C)C1 ZINC000930747312 639893736 /nfs/dbraw/zinc/89/37/36/639893736.db2.gz JZSHUGOLJIMUFH-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO 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BCADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCc1cn[nH]n1)C2 ZINC000931313257 640151414 /nfs/dbraw/zinc/15/14/14/640151414.db2.gz FPJTWRZVJVVLOU-UHFFFAOYSA-N 1 2 246.274 0.167 20 0 BCADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCc1cn[nH]n1)C2 ZINC000931313257 640151420 /nfs/dbraw/zinc/15/14/20/640151420.db2.gz FPJTWRZVJVVLOU-UHFFFAOYSA-N 1 2 246.274 0.167 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000912718028 640176638 /nfs/dbraw/zinc/17/66/38/640176638.db2.gz ZATPKIKRCPPEBH-SKDRFNHKSA-N 1 2 235.287 0.787 20 0 BCADLO CC(C)NC(=O)C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931451801 640212540 /nfs/dbraw/zinc/21/25/40/640212540.db2.gz BNNAALJDKNHCKL-VIFPVBQESA-N 1 2 236.319 0.853 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931451801 640212544 /nfs/dbraw/zinc/21/25/44/640212544.db2.gz BNNAALJDKNHCKL-VIFPVBQESA-N 1 2 236.319 0.853 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457430 640214251 /nfs/dbraw/zinc/21/42/51/640214251.db2.gz JNLJZWHKGRSERJ-APPZFPTMSA-N 1 2 220.276 0.217 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)Cc2c[nH]nc21 ZINC000931457430 640214254 /nfs/dbraw/zinc/21/42/54/640214254.db2.gz JNLJZWHKGRSERJ-APPZFPTMSA-N 1 2 220.276 0.217 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nncn2C)Cc2c[nH]nc21 ZINC000931458747 640216722 /nfs/dbraw/zinc/21/67/22/640216722.db2.gz ILTAUAHZCXEGAR-MRVPVSSYSA-N 1 2 232.291 0.658 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nncn2C)Cc2c[nH]nc21 ZINC000931458747 640216728 /nfs/dbraw/zinc/21/67/28/640216728.db2.gz ILTAUAHZCXEGAR-MRVPVSSYSA-N 1 2 232.291 0.658 20 0 BCADLO COC/C(C)=C/C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000931566656 640276387 /nfs/dbraw/zinc/27/63/87/640276387.db2.gz VDIKRFSXSNKGAV-MJMLHWTPSA-N 1 2 243.303 0.187 20 0 BCADLO COC/C(C)=C/C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000931566656 640276393 /nfs/dbraw/zinc/27/63/93/640276393.db2.gz VDIKRFSXSNKGAV-MJMLHWTPSA-N 1 2 243.303 0.187 20 0 BCADLO Cc1conc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652181 640304619 /nfs/dbraw/zinc/30/46/19/640304619.db2.gz NJHDUUFEUBJMNH-SECBINFHSA-N 1 2 223.276 0.597 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931656070 640305167 /nfs/dbraw/zinc/30/51/67/640305167.db2.gz NFBXLFAWOPFDSM-HTRCEHHLSA-N 1 2 237.307 0.288 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](CCF)C1 ZINC000913165019 640320624 /nfs/dbraw/zinc/32/06/24/640320624.db2.gz BGYXBCACYJMZNP-JTQLQIEISA-N 1 2 241.266 0.539 20 0 BCADLO Cc1cn(C)nc1C[N@@H+]1CC=C[C@@H]1CO ZINC000931701176 640324437 /nfs/dbraw/zinc/32/44/37/640324437.db2.gz XIMVCOVBHCVZPZ-SNVBAGLBSA-N 1 2 207.277 0.461 20 0 BCADLO Cc1cn(C)nc1C[N@H+]1CC=C[C@@H]1CO ZINC000931701176 640324439 /nfs/dbraw/zinc/32/44/39/640324439.db2.gz XIMVCOVBHCVZPZ-SNVBAGLBSA-N 1 2 207.277 0.461 20 0 BCADLO C[N@H+](Cc1nncs1)[C@@H]1CCC[C@H]1O ZINC000931745386 640345974 /nfs/dbraw/zinc/34/59/74/640345974.db2.gz NNMVWBHRYPKDQD-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@@H+](Cc1nncs1)[C@@H]1CCC[C@H]1O ZINC000931745386 640345976 /nfs/dbraw/zinc/34/59/76/640345976.db2.gz NNMVWBHRYPKDQD-HTQZYQBOSA-N 1 2 213.306 0.883 20 0 BCADLO CC[C@@H](CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000931766629 640358469 /nfs/dbraw/zinc/35/84/69/640358469.db2.gz IDTIWVGPVAVTSV-QMMMGPOBSA-N 1 2 211.265 0.808 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@H]1C[C@@H](CO)C1 ZINC000913431832 640370330 /nfs/dbraw/zinc/37/03/30/640370330.db2.gz FQWTZPQFHUVXDS-AOOOYVTPSA-N 1 2 235.287 0.381 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2CC23CCC3)C[C@@H]1CO ZINC000913547342 640386634 /nfs/dbraw/zinc/38/66/34/640386634.db2.gz MGUBFANHARPOHL-GHMZBOCLSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2CC23CCC3)C[C@@H]1CO ZINC000913547342 640386638 /nfs/dbraw/zinc/38/66/38/640386638.db2.gz MGUBFANHARPOHL-GHMZBOCLSA-N 1 2 238.331 0.312 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913546256 640386660 /nfs/dbraw/zinc/38/66/60/640386660.db2.gz LAYYDHATRGSATP-GRYCIOLGSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913546256 640386664 /nfs/dbraw/zinc/38/66/64/640386664.db2.gz LAYYDHATRGSATP-GRYCIOLGSA-N 1 2 240.347 0.558 20 0 BCADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546041 640386940 /nfs/dbraw/zinc/38/69/40/640386940.db2.gz GHPVSCOGUIBNLH-QJPTWQEYSA-N 1 2 242.363 0.804 20 0 BCADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546041 640386950 /nfs/dbraw/zinc/38/69/50/640386950.db2.gz GHPVSCOGUIBNLH-QJPTWQEYSA-N 1 2 242.363 0.804 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547368 640388200 /nfs/dbraw/zinc/38/82/00/640388200.db2.gz MOMRTIGQAOVLEF-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@@H](SC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547368 640388205 /nfs/dbraw/zinc/38/82/05/640388205.db2.gz MOMRTIGQAOVLEF-VHSXEESVSA-N 1 2 246.376 0.263 20 0 BCADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546044 640389359 /nfs/dbraw/zinc/38/93/59/640389359.db2.gz GHPVSCOGUIBNLH-TUAOUCFPSA-N 1 2 242.363 0.804 20 0 BCADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546044 640389368 /nfs/dbraw/zinc/38/93/68/640389368.db2.gz GHPVSCOGUIBNLH-TUAOUCFPSA-N 1 2 242.363 0.804 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CO ZINC000913544294 640392536 /nfs/dbraw/zinc/39/25/36/640392536.db2.gz AZXOXXNMGHHIGU-SNVBAGLBSA-N 1 2 244.310 0.404 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CO ZINC000913544294 640392544 /nfs/dbraw/zinc/39/25/44/640392544.db2.gz AZXOXXNMGHHIGU-SNVBAGLBSA-N 1 2 244.310 0.404 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@@H]1CO ZINC000913543521 640393273 /nfs/dbraw/zinc/39/32/73/640393273.db2.gz KAVKRMBQNQJTAG-VGMNWLOBSA-N 1 2 248.273 0.023 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@@H]1CO ZINC000913543521 640393283 /nfs/dbraw/zinc/39/32/83/640393283.db2.gz KAVKRMBQNQJTAG-VGMNWLOBSA-N 1 2 248.273 0.023 20 0 BCADLO CCC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1 ZINC000913550684 640396587 /nfs/dbraw/zinc/39/65/87/640396587.db2.gz YRYCCMKEMOYXDM-LLVKDONJSA-N 1 2 240.347 0.702 20 0 BCADLO CCC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1 ZINC000913550684 640396592 /nfs/dbraw/zinc/39/65/92/640396592.db2.gz YRYCCMKEMOYXDM-LLVKDONJSA-N 1 2 240.347 0.702 20 0 BCADLO Cc1[nH]ccc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913550395 640396891 /nfs/dbraw/zinc/39/68/91/640396891.db2.gz SYXRUMWPCNEVHJ-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO Cc1[nH]ccc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550395 640396895 /nfs/dbraw/zinc/39/68/95/640396895.db2.gz SYXRUMWPCNEVHJ-SNVBAGLBSA-N 1 2 237.303 0.072 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000932273569 640469611 /nfs/dbraw/zinc/46/96/11/640469611.db2.gz QTBDQCMYFJQHEM-LBPRGKRZSA-N 1 2 248.330 0.836 20 0 BCADLO Cn1nccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000932273569 640469618 /nfs/dbraw/zinc/46/96/18/640469618.db2.gz QTBDQCMYFJQHEM-LBPRGKRZSA-N 1 2 248.330 0.836 20 0 BCADLO Cc1nonc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000932340052 640483107 /nfs/dbraw/zinc/48/31/07/640483107.db2.gz BETLRWJPOXFTCC-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000932340052 640483115 /nfs/dbraw/zinc/48/31/15/640483115.db2.gz BETLRWJPOXFTCC-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO CN(C)C(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932351904 640492849 /nfs/dbraw/zinc/49/28/49/640492849.db2.gz HYGNPLWBCRXUCO-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO O=C1NCCC[C@@H]1[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358118 640498729 /nfs/dbraw/zinc/49/87/29/640498729.db2.gz VJESWHQUUFPIJF-QWRGUYRKSA-N 1 2 246.314 0.796 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030036112 640524125 /nfs/dbraw/zinc/52/41/25/640524125.db2.gz VBBAVMMNMLGWCO-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)C1CCOCC1 ZINC001030047573 640541757 /nfs/dbraw/zinc/54/17/57/640541757.db2.gz NTNFHMFQOKUPOK-UHFFFAOYSA-N 1 2 244.310 0.573 20 0 BCADLO CN(C)c1cnn(Cc2ccc(N)[nH+]c2)c(=O)c1 ZINC000165181705 640542410 /nfs/dbraw/zinc/54/24/10/640542410.db2.gz SROABHMLDGOWJC-UHFFFAOYSA-N 1 2 245.286 0.335 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)c1ccccc1 ZINC001030060542 640560225 /nfs/dbraw/zinc/56/02/25/640560225.db2.gz HFDITEYURNAUJJ-UHFFFAOYSA-N 1 2 220.272 0.093 20 0 BCADLO COC(=O)C[N@H+](CCC(C)=O)C1CCOCC1 ZINC000157080109 640568692 /nfs/dbraw/zinc/56/86/92/640568692.db2.gz IMODGDYCSJAGGU-UHFFFAOYSA-N 1 2 243.303 0.620 20 0 BCADLO COC(=O)C[N@@H+](CCC(C)=O)C1CCOCC1 ZINC000157080109 640568701 /nfs/dbraw/zinc/56/87/01/640568701.db2.gz IMODGDYCSJAGGU-UHFFFAOYSA-N 1 2 243.303 0.620 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1CCn2cccc2C1 ZINC000932528779 640569927 /nfs/dbraw/zinc/56/99/27/640569927.db2.gz PMMKTHYFCVIHDA-LLVKDONJSA-N 1 2 219.288 0.582 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1CCn2cccc2C1 ZINC000932528779 640569936 /nfs/dbraw/zinc/56/99/36/640569936.db2.gz PMMKTHYFCVIHDA-LLVKDONJSA-N 1 2 219.288 0.582 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603460 640582173 /nfs/dbraw/zinc/58/21/73/640582173.db2.gz VRSRIFADTWAWNV-SECBINFHSA-N 1 2 221.304 0.957 20 0 BCADLO C[C@@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603460 640582182 /nfs/dbraw/zinc/58/21/82/640582182.db2.gz VRSRIFADTWAWNV-SECBINFHSA-N 1 2 221.304 0.957 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030100029 640594590 /nfs/dbraw/zinc/59/45/90/640594590.db2.gz ZHISZHTUUNKTFB-MNOVXSKESA-N 1 2 238.331 0.524 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932645807 640597492 /nfs/dbraw/zinc/59/74/92/640597492.db2.gz DSRMZOPNVVZZOD-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932645807 640597497 /nfs/dbraw/zinc/59/74/97/640597497.db2.gz DSRMZOPNVVZZOD-ZJUUUORDSA-N 1 2 243.303 0.823 20 0 BCADLO CC(C)C(=O)NC1C[NH+](CCCF)C1 ZINC001030112979 640602218 /nfs/dbraw/zinc/60/22/18/640602218.db2.gz NTPJUCXJYCEUTF-UHFFFAOYSA-N 1 2 202.273 0.802 20 0 BCADLO CC[C@](C)(O)C(=O)NCCCCn1cc[nH+]c1 ZINC000932718275 640603674 /nfs/dbraw/zinc/60/36/74/640603674.db2.gz UTLWJQLYOLNDIP-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030114543 640603869 /nfs/dbraw/zinc/60/38/69/640603869.db2.gz KZJAAHVUACYYEV-VIFPVBQESA-N 1 2 214.309 0.478 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030118957 640610650 /nfs/dbraw/zinc/61/06/50/640610650.db2.gz OGROPBHXOXKDIM-UHFFFAOYSA-N 1 2 234.303 0.790 20 0 BCADLO O=C1OCC[C@@H]1[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932821327 640613928 /nfs/dbraw/zinc/61/39/28/640613928.db2.gz LYWSYSWYIHFHIR-NSHDSACASA-N 1 2 239.315 0.929 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030130133 640622386 /nfs/dbraw/zinc/62/23/86/640622386.db2.gz LCFHVSXKNXBADE-QWRGUYRKSA-N 1 2 244.310 0.571 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1cncs1 ZINC001030134244 640625671 /nfs/dbraw/zinc/62/56/71/640625671.db2.gz BEYNCVLHPCZZBV-UHFFFAOYSA-N 1 2 237.328 0.967 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cocn2)C1 ZINC001030158758 640644561 /nfs/dbraw/zinc/64/45/61/640644561.db2.gz GWYFEDGPOIPZBD-QMMMGPOBSA-N 1 2 239.275 0.124 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030170940 640653005 /nfs/dbraw/zinc/65/30/05/640653005.db2.gz XQTDVGSKAJQKKK-SNVBAGLBSA-N 1 2 238.331 0.788 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nc(COC)no2)C1 ZINC000932969692 640654637 /nfs/dbraw/zinc/65/46/37/640654637.db2.gz OOTLTNJFRIXZOT-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nc(COC)no2)C1 ZINC000932969692 640654639 /nfs/dbraw/zinc/65/46/39/640654639.db2.gz OOTLTNJFRIXZOT-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000932980037 640659878 /nfs/dbraw/zinc/65/98/78/640659878.db2.gz LSOOUAKYTXJUDD-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000932980037 640659882 /nfs/dbraw/zinc/65/98/82/640659882.db2.gz LSOOUAKYTXJUDD-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000933074681 640664771 /nfs/dbraw/zinc/66/47/71/640664771.db2.gz OOYHDKIGCJQARD-SSDOTTSWSA-N 1 2 224.268 0.011 20 0 BCADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000933074681 640664775 /nfs/dbraw/zinc/66/47/75/640664775.db2.gz OOYHDKIGCJQARD-SSDOTTSWSA-N 1 2 224.268 0.011 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030196037 640673840 /nfs/dbraw/zinc/67/38/40/640673840.db2.gz ZKDMVRKIJQMVKD-NXEZZACHSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1CC1CC1)NC1CC1 ZINC000933212814 640683549 /nfs/dbraw/zinc/68/35/49/640683549.db2.gz JGDUCTZULSLFDY-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1CC1CC1)NC1CC1 ZINC000933212814 640683551 /nfs/dbraw/zinc/68/35/51/640683551.db2.gz JGDUCTZULSLFDY-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccno1 ZINC000933226150 640685377 /nfs/dbraw/zinc/68/53/77/640685377.db2.gz GFKMMWLYAIHNCI-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccno1 ZINC000933226150 640685379 /nfs/dbraw/zinc/68/53/79/640685379.db2.gz GFKMMWLYAIHNCI-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC(C)C ZINC000933223509 640685965 /nfs/dbraw/zinc/68/59/65/640685965.db2.gz CULYSHSFJGDIMP-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(C)C ZINC000933223509 640685968 /nfs/dbraw/zinc/68/59/68/640685968.db2.gz CULYSHSFJGDIMP-JTQLQIEISA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030212442 640686431 /nfs/dbraw/zinc/68/64/31/640686431.db2.gz UAFIKFNIMRAFMC-VIFPVBQESA-N 1 2 224.304 0.278 20 0 BCADLO COCC[NH+]1CC(NC(=O)Cc2cccnc2)C1 ZINC001030221224 640691588 /nfs/dbraw/zinc/69/15/88/640691588.db2.gz WRTMDPFIBKVHTQ-UHFFFAOYSA-N 1 2 249.314 0.071 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)OC)C2 ZINC000933258885 640692360 /nfs/dbraw/zinc/69/23/60/640692360.db2.gz JDOMVOVMQUUTDX-VIFPVBQESA-N 1 2 237.303 0.823 20 0 BCADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ncccn1 ZINC000933286148 640697454 /nfs/dbraw/zinc/69/74/54/640697454.db2.gz YJAJIODFMKCNBE-NSHDSACASA-N 1 2 248.330 0.871 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933297469 640701447 /nfs/dbraw/zinc/70/14/47/640701447.db2.gz KKPBJQHSBNVSLC-GMTAPVOTSA-N 1 2 237.303 0.670 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCC(=O)OC(C)C ZINC000933337819 640705839 /nfs/dbraw/zinc/70/58/39/640705839.db2.gz XKMYPYHDVBRLBU-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCC(=O)OC(C)C ZINC000933337819 640705840 /nfs/dbraw/zinc/70/58/40/640705840.db2.gz XKMYPYHDVBRLBU-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(=O)[nH]1 ZINC000933394509 640714031 /nfs/dbraw/zinc/71/40/31/640714031.db2.gz RBBCUXPFJKVLJV-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(=O)[nH]1 ZINC000933394509 640714036 /nfs/dbraw/zinc/71/40/36/640714036.db2.gz RBBCUXPFJKVLJV-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO Cn1nccc1[C@@H]1C[N@H+](CCCO)CCO1 ZINC000933526717 640724375 /nfs/dbraw/zinc/72/43/75/640724375.db2.gz CGVDYNUGGQWHFD-NSHDSACASA-N 1 2 225.292 0.176 20 0 BCADLO Cn1nccc1[C@@H]1C[N@@H+](CCCO)CCO1 ZINC000933526717 640724383 /nfs/dbraw/zinc/72/43/83/640724383.db2.gz CGVDYNUGGQWHFD-NSHDSACASA-N 1 2 225.292 0.176 20 0 BCADLO CCn1ncc(C[N@H+](CC)CCC(=O)NC)n1 ZINC000933863232 640774114 /nfs/dbraw/zinc/77/41/14/640774114.db2.gz TVKFIJGDEZHCHC-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO CCn1ncc(C[N@@H+](CC)CCC(=O)NC)n1 ZINC000933863232 640774120 /nfs/dbraw/zinc/77/41/20/640774120.db2.gz TVKFIJGDEZHCHC-UHFFFAOYSA-N 1 2 239.323 0.256 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@]12C[C@H]1COC2 ZINC001030343442 640774762 /nfs/dbraw/zinc/77/47/62/640774762.db2.gz NWGXRUAOLCPVHU-CABZTGNLSA-N 1 2 242.294 0.183 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030352634 640781481 /nfs/dbraw/zinc/78/14/81/640781481.db2.gz UITLUFOASRTTDJ-SECBINFHSA-N 1 2 226.320 0.622 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)n1 ZINC000933893436 640781664 /nfs/dbraw/zinc/78/16/64/640781664.db2.gz BHNVEZVEZQVXCP-LLVKDONJSA-N 1 2 237.303 0.757 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@@H]2C2OCCO2)n1 ZINC000933893436 640781675 /nfs/dbraw/zinc/78/16/75/640781675.db2.gz BHNVEZVEZQVXCP-LLVKDONJSA-N 1 2 237.303 0.757 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030349708 640781999 /nfs/dbraw/zinc/78/19/99/640781999.db2.gz HMBIDVJOPQRDEY-VIFPVBQESA-N 1 2 226.320 0.622 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933898495 640784954 /nfs/dbraw/zinc/78/49/54/640784954.db2.gz DIVCOZGFIGVPLO-NSHDSACASA-N 1 2 237.303 0.757 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933898495 640784964 /nfs/dbraw/zinc/78/49/64/640784964.db2.gz DIVCOZGFIGVPLO-NSHDSACASA-N 1 2 237.303 0.757 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968492 640796902 /nfs/dbraw/zinc/79/69/02/640796902.db2.gz MGPBTJXXXJVTBP-NWDGAFQWSA-N 1 2 239.319 0.279 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968492 640796908 /nfs/dbraw/zinc/79/69/08/640796908.db2.gz MGPBTJXXXJVTBP-NWDGAFQWSA-N 1 2 239.319 0.279 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC001030371093 640798195 /nfs/dbraw/zinc/79/81/95/640798195.db2.gz RGSDYQUWZCSSRQ-UHFFFAOYSA-N 1 2 236.319 0.898 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1C=CC=CC=C1 ZINC001030381612 640809945 /nfs/dbraw/zinc/80/99/45/640809945.db2.gz AYCGTZCIHNFOET-UHFFFAOYSA-N 1 2 248.326 0.468 20 0 BCADLO CCn1cc(C[NH2+]Cc2cnc[nH]2)cn1 ZINC000227600934 640842254 /nfs/dbraw/zinc/84/22/54/640842254.db2.gz KJGRVLASMHDQEQ-UHFFFAOYSA-N 1 2 205.265 0.916 20 0 BCADLO CNc1cc(N2CCC(NC(C)=O)CC2)nc[nH+]1 ZINC000228346923 640872162 /nfs/dbraw/zinc/87/21/62/640872162.db2.gz WVUBENOATXMIMQ-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CNc1cc(N2CCC(NC(C)=O)CC2)[nH+]cn1 ZINC000228346923 640872170 /nfs/dbraw/zinc/87/21/70/640872170.db2.gz WVUBENOATXMIMQ-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CNc1cc(N2CC[C@H](NC(C)=O)C2)nc[nH+]1 ZINC000228348364 640872393 /nfs/dbraw/zinc/87/23/93/640872393.db2.gz HPZDBERFHBUPAL-VIFPVBQESA-N 1 2 235.291 0.233 20 0 BCADLO CNc1cc(N2CC[C@H](NC(C)=O)C2)[nH+]cn1 ZINC000228348364 640872395 /nfs/dbraw/zinc/87/23/95/640872395.db2.gz HPZDBERFHBUPAL-VIFPVBQESA-N 1 2 235.291 0.233 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001030501273 640886498 /nfs/dbraw/zinc/88/64/98/640886498.db2.gz SNAGCCPPSKLRRC-MRVPVSSYSA-N 1 2 218.247 0.852 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000230014006 641004552 /nfs/dbraw/zinc/00/45/52/641004552.db2.gz ASXKDGFBANCMBU-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000230014006 641004556 /nfs/dbraw/zinc/00/45/56/641004556.db2.gz ASXKDGFBANCMBU-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)[C@H](C)CO ZINC000230074983 641012891 /nfs/dbraw/zinc/01/28/91/641012891.db2.gz SQDLBFWUFNUXIZ-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H](C)CO ZINC000230074983 641012892 /nfs/dbraw/zinc/01/28/92/641012892.db2.gz SQDLBFWUFNUXIZ-SECBINFHSA-N 1 2 223.338 0.124 20 0 BCADLO CCCNC(=O)CNc1cc(NC)[nH+]cn1 ZINC000087813045 641052206 /nfs/dbraw/zinc/05/22/06/641052206.db2.gz YGSDJOYHEKFQNW-UHFFFAOYSA-N 1 2 223.280 0.456 20 0 BCADLO CCCNC(=O)CNc1cc(NC)nc[nH+]1 ZINC000087813045 641052210 /nfs/dbraw/zinc/05/22/10/641052210.db2.gz YGSDJOYHEKFQNW-UHFFFAOYSA-N 1 2 223.280 0.456 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCSC[C@H]1C ZINC000172594836 641080441 /nfs/dbraw/zinc/08/04/41/641080441.db2.gz WJKWYKXCIIWGBR-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCSC[C@H]1C ZINC000172594836 641080445 /nfs/dbraw/zinc/08/04/45/641080445.db2.gz WJKWYKXCIIWGBR-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO C[C@]1(CO)CCC[N@@H+]1Cc1cnsn1 ZINC000723039349 711497063 /nfs/dbraw/zinc/49/70/63/711497063.db2.gz PJCANCGZZFMJSB-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO C[C@]1(CO)CCC[N@H+]1Cc1cnsn1 ZINC000723039349 711497066 /nfs/dbraw/zinc/49/70/66/711497066.db2.gz PJCANCGZZFMJSB-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231280652 641150149 /nfs/dbraw/zinc/15/01/49/641150149.db2.gz YPDRMHPDRJGJGV-QMMMGPOBSA-N 1 2 213.668 0.697 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231280652 641150152 /nfs/dbraw/zinc/15/01/52/641150152.db2.gz YPDRMHPDRJGJGV-QMMMGPOBSA-N 1 2 213.668 0.697 20 0 BCADLO COCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000050448490 641149129 /nfs/dbraw/zinc/14/91/29/641149129.db2.gz DNJQZAMEYRWTCB-UHFFFAOYSA-N 1 2 238.287 0.970 20 0 BCADLO O=C1C[C@H]([NH+]2CCC(F)(F)CC2)C(=O)N1 ZINC000846703130 641163471 /nfs/dbraw/zinc/16/34/71/641163471.db2.gz LNAOFSKVMGMCNI-LURJTMIESA-N 1 2 218.203 0.133 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3nccn3c2)C1 ZINC001030681140 641181374 /nfs/dbraw/zinc/18/13/74/641181374.db2.gz VAZIUSBTQBCPBG-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO O[C@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1F ZINC000934572409 641203534 /nfs/dbraw/zinc/20/35/34/641203534.db2.gz LBCMQKSODIZSHS-YUMQZZPRSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1F ZINC000934572409 641203540 /nfs/dbraw/zinc/20/35/40/641203540.db2.gz LBCMQKSODIZSHS-YUMQZZPRSA-N 1 2 227.226 0.673 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1=CCCCO1 ZINC000173944970 641218376 /nfs/dbraw/zinc/21/83/76/641218376.db2.gz DUSHIZXMCYDGPL-UHFFFAOYSA-N 1 2 221.260 0.694 20 0 BCADLO CCC[C@H](CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913558013 641223981 /nfs/dbraw/zinc/22/39/81/641223981.db2.gz HSNSJUIGQOCDFY-RYUDHWBXSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@H](CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913558013 641223987 /nfs/dbraw/zinc/22/39/87/641223987.db2.gz HSNSJUIGQOCDFY-RYUDHWBXSA-N 1 2 242.363 0.948 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(O)c(F)c1 ZINC000232449642 641274075 /nfs/dbraw/zinc/27/40/75/641274075.db2.gz KZEPZZNEYJSRBT-UHFFFAOYSA-N 1 2 212.224 0.448 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(O)c(F)c1 ZINC000232449642 641274080 /nfs/dbraw/zinc/27/40/80/641274080.db2.gz KZEPZZNEYJSRBT-UHFFFAOYSA-N 1 2 212.224 0.448 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030707962 641311886 /nfs/dbraw/zinc/31/18/86/641311886.db2.gz IBADREKTPJWJEM-GIPNMCIBSA-N 1 2 238.331 0.358 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC001030756066 641337294 /nfs/dbraw/zinc/33/72/94/641337294.db2.gz OGSXEYYJKJNKNB-UHFFFAOYSA-N 1 2 235.287 0.986 20 0 BCADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030795487 641354899 /nfs/dbraw/zinc/35/48/99/641354899.db2.gz FDGZIMGCWCAXGB-FXPVBKGRSA-N 1 2 226.320 0.478 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030796273 641356971 /nfs/dbraw/zinc/35/69/71/641356971.db2.gz VTOXVIWQPDEIHW-FXPVBKGRSA-N 1 2 226.320 0.478 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001030818363 641366783 /nfs/dbraw/zinc/36/67/83/641366783.db2.gz RBOIGLRBJVFUTN-URLYPYJESA-N 1 2 238.331 0.215 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001030820623 641367392 /nfs/dbraw/zinc/36/73/92/641367392.db2.gz LZIQMYOMGWXLMP-ZNSHCXBVSA-N 1 2 238.331 0.214 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)Cc2c[nH]nc21 ZINC000913598312 641377302 /nfs/dbraw/zinc/37/73/02/641377302.db2.gz BRAUXPVUSUIWKP-MRVPVSSYSA-N 1 2 245.286 0.821 20 0 BCADLO CC(CO)(CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935314961 641383667 /nfs/dbraw/zinc/38/36/67/641383667.db2.gz JCQRMKHLKAQGLA-UHFFFAOYSA-N 1 2 249.270 0.036 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@H](F)C1 ZINC001030854972 641384448 /nfs/dbraw/zinc/38/44/48/641384448.db2.gz FHIRRLBCVUACDL-UWVGGRQHSA-N 1 2 244.310 0.307 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C(\C)COC ZINC000929683250 641394542 /nfs/dbraw/zinc/39/45/42/641394542.db2.gz NXGMOVJBLIOQOR-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C(\C)COC ZINC000929683250 641394549 /nfs/dbraw/zinc/39/45/49/641394549.db2.gz NXGMOVJBLIOQOR-UAWPZABVSA-N 1 2 226.320 0.790 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC001030886155 641401297 /nfs/dbraw/zinc/40/12/97/641401297.db2.gz ILOVYNOYTKDBFD-UHFFFAOYSA-N 1 2 246.270 0.657 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccn(C)c2C)C1 ZINC001030915042 641421369 /nfs/dbraw/zinc/42/13/69/641421369.db2.gz YHOGNZPEUSQMHJ-UHFFFAOYSA-N 1 2 221.304 0.767 20 0 BCADLO CS(C)(=O)=NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913641348 641437411 /nfs/dbraw/zinc/43/74/11/641437411.db2.gz RPGJHHBGIPSQDN-MRVPVSSYSA-N 1 2 241.316 0.700 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000935597656 641443206 /nfs/dbraw/zinc/44/32/06/641443206.db2.gz MCNUCEFATBYRIH-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2ccnc21 ZINC000913670989 641454484 /nfs/dbraw/zinc/45/44/84/641454484.db2.gz LMPFONRYIURYDK-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2ccnc21 ZINC000913670989 641454487 /nfs/dbraw/zinc/45/44/87/641454487.db2.gz LMPFONRYIURYDK-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001030934058 641460849 /nfs/dbraw/zinc/46/08/49/641460849.db2.gz HZHWIMXXYZZBJJ-UHFFFAOYSA-N 1 2 244.245 0.781 20 0 BCADLO CC[C@@H](C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913784591 641474455 /nfs/dbraw/zinc/47/44/55/641474455.db2.gz IIPATWONIMVUQQ-IUCAKERBSA-N 1 2 225.292 0.618 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccnc(F)c1 ZINC000041120030 641543301 /nfs/dbraw/zinc/54/33/01/641543301.db2.gz GDIZWECVGVXJIW-UHFFFAOYSA-N 1 2 234.234 0.847 20 0 BCADLO C/C(=C\C(=O)N1CC[C@H]1C)C[NH+]1CCOCC1 ZINC000914153225 641586652 /nfs/dbraw/zinc/58/66/52/641586652.db2.gz VLOORXNSKUXUEO-LMMOQWNQSA-N 1 2 238.331 0.886 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031022686 641600522 /nfs/dbraw/zinc/60/05/22/641600522.db2.gz KLKQUDOTQYXEHQ-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO CCCn1cc(C(=O)NC2C[NH+](CC)C2)cn1 ZINC001031031787 641602471 /nfs/dbraw/zinc/60/24/71/641602471.db2.gz DVNRJHCSPWZFEH-UHFFFAOYSA-N 1 2 236.319 0.727 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(COC)on2)C1 ZINC001031061032 641677474 /nfs/dbraw/zinc/67/74/74/641677474.db2.gz OYWWBJNNPVVYIE-UHFFFAOYSA-N 1 2 239.275 0.255 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cnsn1 ZINC000048734362 641699016 /nfs/dbraw/zinc/69/90/16/641699016.db2.gz ZTUWIEPCRCNEEP-UHFFFAOYSA-N 1 2 223.261 0.165 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)nc(C)n2)C1 ZINC001031098766 641699912 /nfs/dbraw/zinc/69/99/12/641699912.db2.gz LVPNLRBYXWGGTJ-UHFFFAOYSA-N 1 2 234.303 0.527 20 0 BCADLO O=C(NC1C[NH+](CC2CC2)C1)c1nccs1 ZINC001031137081 641728548 /nfs/dbraw/zinc/72/85/48/641728548.db2.gz VUDDDGPZCTVTAT-UHFFFAOYSA-N 1 2 237.328 0.967 20 0 BCADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031169201 641765252 /nfs/dbraw/zinc/76/52/52/641765252.db2.gz ABAVFLKVRJRCFW-RYUDHWBXSA-N 1 2 240.347 0.461 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(F)CC1 ZINC000914990387 641789235 /nfs/dbraw/zinc/78/92/35/641789235.db2.gz XJIDOQPTJFWJCM-UHFFFAOYSA-N 1 2 211.240 0.913 20 0 BCADLO Cc1cnoc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031192049 641794344 /nfs/dbraw/zinc/79/43/44/641794344.db2.gz KYOUZAZCZQLYKC-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cnoc1C(=O)NC1C[NH+](C(C)C)C1 ZINC001031193682 641798390 /nfs/dbraw/zinc/79/83/90/641798390.db2.gz YQAFASWXLVFAJI-UHFFFAOYSA-N 1 2 223.276 0.805 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2oncc2C)C1 ZINC001031195164 641798403 /nfs/dbraw/zinc/79/84/03/641798403.db2.gz VZQHHTDJXXGUBH-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO C[N@H+](CCc1ccncc1)CCS(C)(=O)=O ZINC000076341392 641807614 /nfs/dbraw/zinc/80/76/14/641807614.db2.gz DYDOWQQELRYTNR-UHFFFAOYSA-N 1 2 242.344 0.601 20 0 BCADLO C[N@@H+](CCc1ccncc1)CCS(C)(=O)=O ZINC000076341392 641807618 /nfs/dbraw/zinc/80/76/18/641807618.db2.gz DYDOWQQELRYTNR-UHFFFAOYSA-N 1 2 242.344 0.601 20 0 BCADLO CC(=O)OC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000153567244 641819735 /nfs/dbraw/zinc/81/97/35/641819735.db2.gz MEEOCWPJZZIRSW-UHFFFAOYSA-N 1 2 249.332 0.059 20 0 BCADLO CCN(C(=O)c1ccccn1)C1C[NH+](CCO)C1 ZINC000949567796 641842470 /nfs/dbraw/zinc/84/24/70/641842470.db2.gz XZRNMOUOTYVZKW-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO CCN(C(=O)c1cnc(C)cn1)C1C[NH+](CC)C1 ZINC000949601795 641845222 /nfs/dbraw/zinc/84/52/22/641845222.db2.gz UYVOXAVBIUYKPQ-UHFFFAOYSA-N 1 2 248.330 0.951 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001031252011 641862384 /nfs/dbraw/zinc/86/23/84/641862384.db2.gz JVYGPIHMYWDNJD-SECBINFHSA-N 1 2 248.330 0.335 20 0 BCADLO CCN(C(=O)C1CC=CC1)C1C[NH+](CCO)C1 ZINC000949822381 641865677 /nfs/dbraw/zinc/86/56/77/641865677.db2.gz HLYNAGXKYBEPTC-UHFFFAOYSA-N 1 2 238.331 0.478 20 0 BCADLO CCN(C(=O)c1cncnc1)C1C[NH+](CC)C1 ZINC000949943898 641875469 /nfs/dbraw/zinc/87/54/69/641875469.db2.gz BITPEXMZPWZCPS-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ncccc2OC)C1 ZINC001031306248 641883157 /nfs/dbraw/zinc/88/31/57/641883157.db2.gz COPLEJBHLVRYCA-UHFFFAOYSA-N 1 2 249.314 0.914 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CF)C1 ZINC000916106091 641900733 /nfs/dbraw/zinc/90/07/33/641900733.db2.gz DLPGWWUTIJYIRW-QMMMGPOBSA-N 1 2 211.240 0.770 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000191074762 641900957 /nfs/dbraw/zinc/90/09/57/641900957.db2.gz JFEMXBPTNJLBMR-WDEREUQCSA-N 1 2 241.287 0.553 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000191074762 641900960 /nfs/dbraw/zinc/90/09/60/641900960.db2.gz JFEMXBPTNJLBMR-WDEREUQCSA-N 1 2 241.287 0.553 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CF)C1 ZINC000916100591 641903071 /nfs/dbraw/zinc/90/30/71/641903071.db2.gz KAMFTTMPGSAKSW-QMMMGPOBSA-N 1 2 211.240 0.770 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CCF)C1 ZINC001031313768 641918573 /nfs/dbraw/zinc/91/85/73/641918573.db2.gz UUCIJXPALXQJAZ-UHFFFAOYSA-N 1 2 240.282 0.031 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000089676581 641947917 /nfs/dbraw/zinc/94/79/17/641947917.db2.gz MKQBTKNAWNBVFS-NSHDSACASA-N 1 2 242.363 0.946 20 0 BCADLO CCn1cc(C[NH2+][C@@H](C)c2cnn(C)n2)cn1 ZINC000925430130 641963869 /nfs/dbraw/zinc/96/38/69/641963869.db2.gz SEBHACIFXIUTAF-VIFPVBQESA-N 1 2 234.307 0.882 20 0 BCADLO Cc1cccc(C(=O)NC2C[NH+](CCO)C2)c1C ZINC001031338287 641976874 /nfs/dbraw/zinc/97/68/74/641976874.db2.gz ACVYVLRTUZHNDR-UHFFFAOYSA-N 1 2 248.326 0.710 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCCCO1 ZINC000154192191 641978706 /nfs/dbraw/zinc/97/87/06/641978706.db2.gz USMWJTHQXLFZFW-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCCCO1 ZINC000154192191 641978714 /nfs/dbraw/zinc/97/87/14/641978714.db2.gz USMWJTHQXLFZFW-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CO)C1 ZINC000444657722 642143082 /nfs/dbraw/zinc/14/30/82/642143082.db2.gz LVZRBCSRLKBPPY-VIFPVBQESA-N 1 2 223.276 0.118 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001031453689 642176473 /nfs/dbraw/zinc/17/64/73/642176473.db2.gz DZQJJUDVDPMLAO-UHFFFAOYSA-N 1 2 248.330 0.582 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001031495358 642226668 /nfs/dbraw/zinc/22/66/68/642226668.db2.gz LUWWHFMXRQYYEH-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001031504553 642237973 /nfs/dbraw/zinc/23/79/73/642237973.db2.gz DINNOPHOXOKBSN-UHFFFAOYSA-N 1 2 240.332 0.414 20 0 BCADLO CC(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031504554 642238059 /nfs/dbraw/zinc/23/80/59/642238059.db2.gz JGLHJBRTELEMIU-VIFPVBQESA-N 1 2 234.303 0.606 20 0 BCADLO Cc1cc(C[NH+]2CC(CNC(=O)C3CC3)C2)on1 ZINC001031509252 642242411 /nfs/dbraw/zinc/24/24/11/642242411.db2.gz VJXXHPZZFOENPB-UHFFFAOYSA-N 1 2 249.314 0.941 20 0 BCADLO CCCCOC(=O)[C@H](C)[NH+](CCO)CCO ZINC000154919446 642308812 /nfs/dbraw/zinc/30/88/12/642308812.db2.gz WDVSOMZCWIHEOZ-JTQLQIEISA-N 1 2 233.308 0.005 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000930089749 642369204 /nfs/dbraw/zinc/36/92/04/642369204.db2.gz HJCRYJBJUHAOKF-LLVKDONJSA-N 1 2 235.287 0.676 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000930089749 642369207 /nfs/dbraw/zinc/36/92/07/642369207.db2.gz HJCRYJBJUHAOKF-LLVKDONJSA-N 1 2 235.287 0.676 20 0 BCADLO Cn1ccc(C(=O)NCC2C[NH+](CCF)C2)c1 ZINC001031613238 642385578 /nfs/dbraw/zinc/38/55/78/642385578.db2.gz IWAIAOYFGDVJOT-UHFFFAOYSA-N 1 2 239.294 0.656 20 0 BCADLO CNc1cc(N(C)CCNC(C)=O)nc[nH+]1 ZINC000308133611 642402555 /nfs/dbraw/zinc/40/25/55/642402555.db2.gz GQIVCOAQACOWSN-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CNc1cc(N(C)CCNC(C)=O)[nH+]cn1 ZINC000308133611 642402562 /nfs/dbraw/zinc/40/25/62/642402562.db2.gz GQIVCOAQACOWSN-UHFFFAOYSA-N 1 2 223.280 0.091 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919982273 642418376 /nfs/dbraw/zinc/41/83/76/642418376.db2.gz SBDHJACZNANCRK-QWRGUYRKSA-N 1 2 242.367 0.282 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919982273 642418383 /nfs/dbraw/zinc/41/83/83/642418383.db2.gz SBDHJACZNANCRK-QWRGUYRKSA-N 1 2 242.367 0.282 20 0 BCADLO CCn1c[nH+]c2c1CCN(Cc1cnon1)C2 ZINC000933255794 642425461 /nfs/dbraw/zinc/42/54/61/642425461.db2.gz RZKVNFGVPTVHIX-UHFFFAOYSA-N 1 2 233.275 0.844 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(=O)N1CCC1)C2 ZINC000933261179 642430673 /nfs/dbraw/zinc/43/06/73/642430673.db2.gz CEIKZUQFGNEFML-UHFFFAOYSA-N 1 2 248.330 0.493 20 0 BCADLO Cc1cc[nH]c1C(=O)NCC1C[NH+](CCF)C1 ZINC001031644640 642437902 /nfs/dbraw/zinc/43/79/02/642437902.db2.gz IASNYTKHQYSTQY-UHFFFAOYSA-N 1 2 239.294 0.954 20 0 BCADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccnc1 ZINC000921413290 642613400 /nfs/dbraw/zinc/61/34/00/642613400.db2.gz IXZMVDXSDPKFGI-VIFPVBQESA-N 1 2 241.316 0.064 20 0 BCADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccnc1 ZINC000921413290 642613406 /nfs/dbraw/zinc/61/34/06/642613406.db2.gz IXZMVDXSDPKFGI-VIFPVBQESA-N 1 2 241.316 0.064 20 0 BCADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)o1 ZINC000921413879 642617875 /nfs/dbraw/zinc/61/78/75/642617875.db2.gz WSMCRPSAKNZRJM-VIFPVBQESA-N 1 2 244.316 0.570 20 0 BCADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)o1 ZINC000921413879 642617879 /nfs/dbraw/zinc/61/78/79/642617879.db2.gz WSMCRPSAKNZRJM-VIFPVBQESA-N 1 2 244.316 0.570 20 0 BCADLO CCc1cnc(C[NH2+][C@@H]2CCN(C(C)=O)C2)o1 ZINC000965976788 642778105 /nfs/dbraw/zinc/77/81/05/642778105.db2.gz NNDLGCGQRWRWBB-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC000965981836 642778791 /nfs/dbraw/zinc/77/87/91/642778791.db2.gz IXRGALFIAWLJGC-VXNVDRBHSA-N 1 2 240.332 0.810 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cn[nH]c1 ZINC001006823918 642825270 /nfs/dbraw/zinc/82/52/70/642825270.db2.gz SAPDQXZZPAUYBY-SNVBAGLBSA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cn[nH]c1 ZINC001006823918 642825275 /nfs/dbraw/zinc/82/52/75/642825275.db2.gz SAPDQXZZPAUYBY-SNVBAGLBSA-N 1 2 240.282 0.573 20 0 BCADLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010244843 642854171 /nfs/dbraw/zinc/85/41/71/642854171.db2.gz RRAPOAMADAODRA-JTQLQIEISA-N 1 2 239.294 0.799 20 0 BCADLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010244843 642854172 /nfs/dbraw/zinc/85/41/72/642854172.db2.gz RRAPOAMADAODRA-JTQLQIEISA-N 1 2 239.294 0.799 20 0 BCADLO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939207751 642858869 /nfs/dbraw/zinc/85/88/69/642858869.db2.gz ATBCKKVKZWWFAK-MWLCHTKSSA-N 1 2 236.319 0.409 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCF)C2)c1 ZINC001010569042 642869594 /nfs/dbraw/zinc/86/95/94/642869594.db2.gz VJCFQYDXGFDFPO-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001010569042 642869598 /nfs/dbraw/zinc/86/95/98/642869598.db2.gz VJCFQYDXGFDFPO-VIFPVBQESA-N 1 2 240.282 0.194 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCCO1 ZINC001010639556 642870879 /nfs/dbraw/zinc/87/08/79/642870879.db2.gz MWKOSKWTVVGIIX-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCCCO1 ZINC001010639556 642870880 /nfs/dbraw/zinc/87/08/80/642870880.db2.gz MWKOSKWTVVGIIX-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000181470623 642875606 /nfs/dbraw/zinc/87/56/06/642875606.db2.gz UITSWZFDGCPWDA-NSHDSACASA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000181470623 642875610 /nfs/dbraw/zinc/87/56/10/642875610.db2.gz UITSWZFDGCPWDA-NSHDSACASA-N 1 2 215.293 0.642 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015460828 642900614 /nfs/dbraw/zinc/90/06/14/642900614.db2.gz WVEZHOVJAOBCPP-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015460828 642900634 /nfs/dbraw/zinc/90/06/34/642900634.db2.gz WVEZHOVJAOBCPP-SECBINFHSA-N 1 2 240.282 0.492 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015460829 642903923 /nfs/dbraw/zinc/90/39/23/642903923.db2.gz WVEZHOVJAOBCPP-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015460829 642903929 /nfs/dbraw/zinc/90/39/29/642903929.db2.gz WVEZHOVJAOBCPP-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CN1CC(=O)N(C)C1=O ZINC000182283944 642991615 /nfs/dbraw/zinc/99/16/15/642991615.db2.gz BUCGBTFOHPYJGD-QMMMGPOBSA-N 1 2 243.332 0.275 20 0 BCADLO C[C@H]1CSCC[N@H+]1CN1CC(=O)N(C)C1=O ZINC000182283944 642991620 /nfs/dbraw/zinc/99/16/20/642991620.db2.gz BUCGBTFOHPYJGD-QMMMGPOBSA-N 1 2 243.332 0.275 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCOC1=O)[C@H]1CCCO1 ZINC000182378957 643011693 /nfs/dbraw/zinc/01/16/93/643011693.db2.gz JFYRPWPTFMSFFP-IVZWLZJFSA-N 1 2 213.277 0.849 20 0 BCADLO C[C@H]([NH2+]CCS(C)(=O)=O)c1nccs1 ZINC000070733060 643068045 /nfs/dbraw/zinc/06/80/45/643068045.db2.gz SHEWTVZHHITDCD-ZETCQYMHSA-N 1 2 234.346 0.838 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338772 643140743 /nfs/dbraw/zinc/14/07/43/643140743.db2.gz GJZMODGNWDPSTG-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338772 643140746 /nfs/dbraw/zinc/14/07/46/643140746.db2.gz GJZMODGNWDPSTG-VHSXEESVSA-N 1 2 228.292 0.260 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@H](C)C2)nc[nH+]1 ZINC000253206413 643184153 /nfs/dbraw/zinc/18/41/53/643184153.db2.gz WZHJLUWKGNTTLV-RKDXNWHRSA-N 1 2 222.292 0.725 20 0 BCADLO CNc1cc(N2CC[C@@H](O)[C@H](C)C2)[nH+]cn1 ZINC000253206413 643184156 /nfs/dbraw/zinc/18/41/56/643184156.db2.gz WZHJLUWKGNTTLV-RKDXNWHRSA-N 1 2 222.292 0.725 20 0 BCADLO c1c[nH]c(SCC[NH+]2CCOCC2)n1 ZINC000078992204 643184249 /nfs/dbraw/zinc/18/42/49/643184249.db2.gz AIILUKQFULJAQP-UHFFFAOYSA-N 1 2 213.306 0.834 20 0 BCADLO O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)c1[nH]ncc1F ZINC001020558423 643193595 /nfs/dbraw/zinc/19/35/95/643193595.db2.gz GOVKEBDEGMITEA-LJGSYFOKSA-N 1 2 244.245 0.369 20 0 BCADLO Cc1c[nH]c(C(=O)NCC2C[NH+](CCF)C2)n1 ZINC001032039702 643207395 /nfs/dbraw/zinc/20/73/95/643207395.db2.gz YWPVMLULGCJUHR-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnsn2)[C@H]1CO ZINC000306721853 643223031 /nfs/dbraw/zinc/22/30/31/643223031.db2.gz IHUQXMFEIJUMLO-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)[C@H]1CO ZINC000306721853 643223035 /nfs/dbraw/zinc/22/30/35/643223035.db2.gz IHUQXMFEIJUMLO-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCC2(C1)OCCO2 ZINC000184652047 643223678 /nfs/dbraw/zinc/22/36/78/643223678.db2.gz XNLRYJGMXODMQS-JTQLQIEISA-N 1 2 235.287 0.986 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCC2(C1)OCCO2 ZINC000184652047 643223683 /nfs/dbraw/zinc/22/36/83/643223683.db2.gz XNLRYJGMXODMQS-JTQLQIEISA-N 1 2 235.287 0.986 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032073313 643232488 /nfs/dbraw/zinc/23/24/88/643232488.db2.gz AUPDSYYFYGWHQT-KOLCDFICSA-N 1 2 244.310 0.429 20 0 BCADLO Cc1c[nH]cc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032186004 643284135 /nfs/dbraw/zinc/28/41/35/643284135.db2.gz YSNVALFAQWZZOE-UHFFFAOYSA-N 1 2 239.294 0.954 20 0 BCADLO c1nnsc1C[NH+]1CCC2(CC1)OCCO2 ZINC000306404860 643324431 /nfs/dbraw/zinc/32/44/31/643324431.db2.gz UNGCYKHTQWBFPB-UHFFFAOYSA-N 1 2 241.316 0.877 20 0 BCADLO O=C1NC[C@@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000091865351 643332715 /nfs/dbraw/zinc/33/27/15/643332715.db2.gz YTOZFMPWUXOGRT-SNVBAGLBSA-N 1 2 221.260 0.489 20 0 BCADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000091865351 643332718 /nfs/dbraw/zinc/33/27/18/643332718.db2.gz YTOZFMPWUXOGRT-SNVBAGLBSA-N 1 2 221.260 0.489 20 0 BCADLO NC(=O)NC(=O)OCCCn1cc[nH+]c1 ZINC000093191457 643336491 /nfs/dbraw/zinc/33/64/91/643336491.db2.gz FELSCDLQGLDABO-UHFFFAOYSA-N 1 2 212.209 0.078 20 0 BCADLO Cc1nc[nH]c1C(=O)NCC1C[NH+](CCF)C1 ZINC001032231011 643374144 /nfs/dbraw/zinc/37/41/44/643374144.db2.gz CVDYPNSHBVQLNB-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1C ZINC001032235381 643380480 /nfs/dbraw/zinc/38/04/80/643380480.db2.gz KMOJEZLXCMXMBP-RYUDHWBXSA-N 1 2 235.287 0.788 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1C ZINC001032235381 643380485 /nfs/dbraw/zinc/38/04/85/643380485.db2.gz KMOJEZLXCMXMBP-RYUDHWBXSA-N 1 2 235.287 0.788 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](CC(=O)OC)C1 ZINC000932640156 643386612 /nfs/dbraw/zinc/38/66/12/643386612.db2.gz VHZPOGBXNINMGB-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000932640156 643386614 /nfs/dbraw/zinc/38/66/14/643386614.db2.gz VHZPOGBXNINMGB-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000932644326 643386732 /nfs/dbraw/zinc/38/67/32/643386732.db2.gz JAXYEJUSPCFVLV-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000932644326 643386738 /nfs/dbraw/zinc/38/67/38/643386738.db2.gz JAXYEJUSPCFVLV-SECBINFHSA-N 1 2 238.291 0.200 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)OC)C1 ZINC000932640155 643386972 /nfs/dbraw/zinc/38/69/72/643386972.db2.gz VHZPOGBXNINMGB-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000932640155 643386976 /nfs/dbraw/zinc/38/69/76/643386976.db2.gz VHZPOGBXNINMGB-MRVPVSSYSA-N 1 2 215.249 0.044 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CCOC1 ZINC001015903913 643418975 /nfs/dbraw/zinc/41/89/75/643418975.db2.gz ACWXKLBQCXCDKP-JQWIXIFHSA-N 1 2 244.310 0.573 20 0 BCADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC001015903913 643418978 /nfs/dbraw/zinc/41/89/78/643418978.db2.gz ACWXKLBQCXCDKP-JQWIXIFHSA-N 1 2 244.310 0.573 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000307446564 643478045 /nfs/dbraw/zinc/47/80/45/643478045.db2.gz HHDCFKDLHJOLLV-ZCFIWIBFSA-N 1 2 201.163 0.955 20 0 BCADLO O[C@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000307446564 643478049 /nfs/dbraw/zinc/47/80/49/643478049.db2.gz HHDCFKDLHJOLLV-ZCFIWIBFSA-N 1 2 201.163 0.955 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cncnc1 ZINC001010712388 643484662 /nfs/dbraw/zinc/48/46/62/643484662.db2.gz NXOWKQIWWMDEMJ-SNVBAGLBSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cncnc1 ZINC001010712388 643484665 /nfs/dbraw/zinc/48/46/65/643484665.db2.gz NXOWKQIWWMDEMJ-SNVBAGLBSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(CCn1cccn1)OCCn1cc[nH+]c1 ZINC000788058886 643485191 /nfs/dbraw/zinc/48/51/91/643485191.db2.gz VPKNBYOQDXGXSO-UHFFFAOYSA-N 1 2 234.259 0.713 20 0 BCADLO CC[S@@](=O)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000735116925 643524354 /nfs/dbraw/zinc/52/43/54/643524354.db2.gz UOZVIRLCEWMNIP-QLJPJBMISA-N 1 2 246.376 0.356 20 0 BCADLO CC[S@@](=O)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000735116925 643524359 /nfs/dbraw/zinc/52/43/59/643524359.db2.gz UOZVIRLCEWMNIP-QLJPJBMISA-N 1 2 246.376 0.356 20 0 BCADLO C[C@@H]1C(=O)CCC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC000932848808 643534227 /nfs/dbraw/zinc/53/42/27/643534227.db2.gz KUNNYJCRVNFAOQ-GHMZBOCLSA-N 1 2 238.331 0.956 20 0 BCADLO C[C@@H]1C(=O)CCC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC000932848808 643534232 /nfs/dbraw/zinc/53/42/32/643534232.db2.gz KUNNYJCRVNFAOQ-GHMZBOCLSA-N 1 2 238.331 0.956 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000307719392 643593733 /nfs/dbraw/zinc/59/37/33/643593733.db2.gz NARPHGGKKAHVBV-RCYFRSRISA-N 1 2 224.713 0.102 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000307719392 643593740 /nfs/dbraw/zinc/59/37/40/643593740.db2.gz NARPHGGKKAHVBV-RCYFRSRISA-N 1 2 224.713 0.102 20 0 BCADLO CC[NH2+]CC(=O)NCCCc1cn[nH]c1C ZINC000050183164 643631900 /nfs/dbraw/zinc/63/19/00/643631900.db2.gz KJILYKOXOSLGLW-UHFFFAOYSA-N 1 2 224.308 0.376 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016061428 643665847 /nfs/dbraw/zinc/66/58/47/643665847.db2.gz VLQTVIMCRBKNRB-RKDXNWHRSA-N 1 2 241.335 0.097 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016061428 643665849 /nfs/dbraw/zinc/66/58/49/643665849.db2.gz VLQTVIMCRBKNRB-RKDXNWHRSA-N 1 2 241.335 0.097 20 0 BCADLO CC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000998313957 643693157 /nfs/dbraw/zinc/69/31/57/643693157.db2.gz QEGMZPYUXKTYHU-SECBINFHSA-N 1 2 240.332 0.639 20 0 BCADLO CC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000998313961 643693864 /nfs/dbraw/zinc/69/38/64/643693864.db2.gz QEGMZPYUXKTYHU-VIFPVBQESA-N 1 2 240.332 0.639 20 0 BCADLO COCCCOCC[N@H+](C)[C@@H]1CCOC1=O ZINC000091103162 643712469 /nfs/dbraw/zinc/71/24/69/643712469.db2.gz JDDRVRIADYHHTO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO COCCCOCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000091103162 643712473 /nfs/dbraw/zinc/71/24/73/643712473.db2.gz JDDRVRIADYHHTO-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002187430 643810094 /nfs/dbraw/zinc/81/00/94/643810094.db2.gz PCDXJUWCBIRHFP-UHFFFAOYSA-N 1 2 236.319 0.521 20 0 BCADLO C[C@@H]1CC[C@H](CO)N1C(=O)CNc1cccc[nH+]1 ZINC000922014152 643846309 /nfs/dbraw/zinc/84/63/09/643846309.db2.gz GPLQBEBODUZBEY-GHMZBOCLSA-N 1 2 249.314 0.865 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922128307 643867984 /nfs/dbraw/zinc/86/79/84/643867984.db2.gz BFSYXXGMGSEHDH-ZETCQYMHSA-N 1 2 237.259 0.232 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000085986928 643877428 /nfs/dbraw/zinc/87/74/28/643877428.db2.gz YCZVSYLCNQHVPA-VHSXEESVSA-N 1 2 224.260 0.888 20 0 BCADLO Nc1ccc(COC(=O)C2=COCCO2)c[nH+]1 ZINC000922168699 643889295 /nfs/dbraw/zinc/88/92/95/643889295.db2.gz BAZUPZJYYUPZNM-UHFFFAOYSA-N 1 2 236.227 0.595 20 0 BCADLO C[C@@H]1Cn2nccc2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000922205784 643903211 /nfs/dbraw/zinc/90/32/11/643903211.db2.gz MPWYNQXPNCYHAA-VIFPVBQESA-N 1 2 245.286 0.832 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2C[C@H](O)[C@H]2n2cccn2)o1 ZINC000922229043 643910665 /nfs/dbraw/zinc/91/06/65/643910665.db2.gz VRMGTPNISSVQMR-SCVCMEIPSA-N 1 2 248.286 0.644 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC=C[C@@H]1CO ZINC000922269464 643938548 /nfs/dbraw/zinc/93/85/48/643938548.db2.gz ZYHCFOYQIPEHKO-SNVBAGLBSA-N 1 2 221.260 0.033 20 0 BCADLO COC(OC)[C@H](C)[NH2+]Cc1ncnn1C(C)C ZINC000922314394 643966695 /nfs/dbraw/zinc/96/66/95/643966695.db2.gz XYYCCNVBGBDDLB-VIFPVBQESA-N 1 2 242.323 0.956 20 0 BCADLO Cc1nonc1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922327989 643971376 /nfs/dbraw/zinc/97/13/76/643971376.db2.gz JODPQIAYAZNZOG-UHFFFAOYSA-N 1 2 220.232 0.768 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C1(O)CCC1 ZINC000922376487 643981534 /nfs/dbraw/zinc/98/15/34/643981534.db2.gz RPKQSKRRBGPYTH-UHFFFAOYSA-N 1 2 222.244 0.622 20 0 BCADLO Cn1cc(CC(=O)OCc2ccc[nH+]c2N)cn1 ZINC000922403875 643989597 /nfs/dbraw/zinc/98/95/97/643989597.db2.gz VVAWKPFOJMQUBS-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO COC[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922416287 643990863 /nfs/dbraw/zinc/99/08/63/643990863.db2.gz TUDCZNVTKRWAGS-MRVPVSSYSA-N 1 2 224.260 0.990 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000922515790 644006711 /nfs/dbraw/zinc/00/67/11/644006711.db2.gz JFJZLWIUTSGPSP-PSASIEDQSA-N 1 2 238.291 0.254 20 0 BCADLO COc1nccnc1CNC[C@H]1CC[N@@H+]1C ZINC000922576359 644030320 /nfs/dbraw/zinc/03/03/20/644030320.db2.gz PTXRAAVYMKNZGD-SECBINFHSA-N 1 2 222.292 0.279 20 0 BCADLO COc1nccnc1CNC[C@H]1CC[N@H+]1C ZINC000922576359 644030326 /nfs/dbraw/zinc/03/03/26/644030326.db2.gz PTXRAAVYMKNZGD-SECBINFHSA-N 1 2 222.292 0.279 20 0 BCADLO CCn1ncc(CNC[C@H]2CC[N@@H+]2C)n1 ZINC000922576024 644030622 /nfs/dbraw/zinc/03/06/22/644030622.db2.gz KATSORQOGPSHIU-SNVBAGLBSA-N 1 2 209.297 0.092 20 0 BCADLO CCn1ncc(CNC[C@H]2CC[N@H+]2C)n1 ZINC000922576024 644030624 /nfs/dbraw/zinc/03/06/24/644030624.db2.gz KATSORQOGPSHIU-SNVBAGLBSA-N 1 2 209.297 0.092 20 0 BCADLO CCn1nc(C)c(CNC[C@@H]2CC[N@@H+]2C)n1 ZINC000922576618 644030688 /nfs/dbraw/zinc/03/06/88/644030688.db2.gz UXAZQSSGGQCSSL-JTQLQIEISA-N 1 2 223.324 0.400 20 0 BCADLO CCn1nc(C)c(CNC[C@@H]2CC[N@H+]2C)n1 ZINC000922576618 644030691 /nfs/dbraw/zinc/03/06/91/644030691.db2.gz UXAZQSSGGQCSSL-JTQLQIEISA-N 1 2 223.324 0.400 20 0 BCADLO COCc1cc(CNC[C@H]2CC[N@@H+]2C)no1 ZINC000922576562 644031397 /nfs/dbraw/zinc/03/13/97/644031397.db2.gz TXTGOWNLENNLAX-SNVBAGLBSA-N 1 2 225.292 0.615 20 0 BCADLO COCc1cc(CNC[C@H]2CC[N@H+]2C)no1 ZINC000922576562 644031401 /nfs/dbraw/zinc/03/14/01/644031401.db2.gz TXTGOWNLENNLAX-SNVBAGLBSA-N 1 2 225.292 0.615 20 0 BCADLO Nc1[nH+]cccc1COC(=O)C1(CCO)CC1 ZINC000922619052 644044019 /nfs/dbraw/zinc/04/40/19/644044019.db2.gz MPEJTHZWNVPFBW-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO CC[S@](=O)CC(=O)OCc1ccc[nH+]c1N ZINC000922652299 644059548 /nfs/dbraw/zinc/05/95/48/644059548.db2.gz MLGSVYMPWRWYAT-INIZCTEOSA-N 1 2 242.300 0.476 20 0 BCADLO CC[S@@](=O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922652836 644059989 /nfs/dbraw/zinc/05/99/89/644059989.db2.gz RTXWHZMWQFJWDP-MRXNPFEDSA-N 1 2 242.300 0.476 20 0 BCADLO COc1cc(NC(=O)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000922816283 644107698 /nfs/dbraw/zinc/10/76/98/644107698.db2.gz IGFOLQMHXVWOTB-UHFFFAOYSA-N 1 2 235.247 0.333 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000922875095 644122800 /nfs/dbraw/zinc/12/28/00/644122800.db2.gz FYHWRFQYBMPUAL-MYJAWHEDSA-N 1 2 234.255 0.599 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000073957326 644150028 /nfs/dbraw/zinc/15/00/28/644150028.db2.gz AVAUWZQVVJCWNR-VIFPVBQESA-N 1 2 214.265 0.159 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000073957326 644150033 /nfs/dbraw/zinc/15/00/33/644150033.db2.gz AVAUWZQVVJCWNR-VIFPVBQESA-N 1 2 214.265 0.159 20 0 BCADLO Cc1nc(N2C[C@H](C)C[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631312271 644154127 /nfs/dbraw/zinc/15/41/27/644154127.db2.gz BZTFCJMKVAELFS-VXNVDRBHSA-N 1 2 237.307 0.217 20 0 BCADLO CC(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005016515 644160637 /nfs/dbraw/zinc/16/06/37/644160637.db2.gz QEPUIHZQKPDXLM-UHFFFAOYSA-N 1 2 248.330 0.919 20 0 BCADLO O[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCOCC2 ZINC000923019588 644233575 /nfs/dbraw/zinc/23/35/75/644233575.db2.gz KDNWYJPXGPRTSV-MNOVXSKESA-N 1 2 237.303 0.429 20 0 BCADLO Cc1ccc(C[S@@](=O)CCO)c(C)[nH+]1 ZINC000187078020 644258113 /nfs/dbraw/zinc/25/81/13/644258113.db2.gz QJDGOBYHBBTQSR-AWEZNQCLSA-N 1 2 213.302 0.939 20 0 BCADLO CCN(C(=O)[C@@H]1CC12CC2)C1C[NH+](CCO)C1 ZINC000952361422 644376984 /nfs/dbraw/zinc/37/69/84/644376984.db2.gz PVSRVMFEVFZKII-NSHDSACASA-N 1 2 238.331 0.312 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923570445 644507732 /nfs/dbraw/zinc/50/77/32/644507732.db2.gz VHINNZQKGZVSJC-YUSALJHKSA-N 1 2 248.282 0.731 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)[C@H](C)C1 ZINC000946931005 644527075 /nfs/dbraw/zinc/52/70/75/644527075.db2.gz AJCRPUPBECOZPX-ZYHUDNBSSA-N 1 2 248.330 0.966 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)[C@H](C)C1 ZINC000946931005 644527082 /nfs/dbraw/zinc/52/70/82/644527082.db2.gz AJCRPUPBECOZPX-ZYHUDNBSSA-N 1 2 248.330 0.966 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@H]1C ZINC000245545935 644530471 /nfs/dbraw/zinc/53/04/71/644530471.db2.gz VXSKKEKRSLFXEB-GMTAPVOTSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1C[C@H]1C ZINC000245545941 644532226 /nfs/dbraw/zinc/53/22/26/644532226.db2.gz VXSKKEKRSLFXEB-MXWKQRLJSA-N 1 2 227.304 0.906 20 0 BCADLO C[C@H]1CC[N@H+](Cn2ncn(C)c2=O)[C@H]1C ZINC000245600936 644533156 /nfs/dbraw/zinc/53/31/56/644533156.db2.gz IVBDSYPXXZMTHV-IUCAKERBSA-N 1 2 210.281 0.270 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)[C@H]1C ZINC000245600936 644533161 /nfs/dbraw/zinc/53/31/61/644533161.db2.gz IVBDSYPXXZMTHV-IUCAKERBSA-N 1 2 210.281 0.270 20 0 BCADLO COCc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(=O)o1 ZINC000246570996 644595843 /nfs/dbraw/zinc/59/58/43/644595843.db2.gz RVUWHKFAMXVPML-IUCAKERBSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(=O)o1 ZINC000246570996 644595847 /nfs/dbraw/zinc/59/58/47/644595847.db2.gz RVUWHKFAMXVPML-IUCAKERBSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1n[nH]c(C[NH2+]C[C@@H](OC)C2CC2)n1 ZINC000639312256 644595966 /nfs/dbraw/zinc/59/59/66/644595966.db2.gz URAZFILCNQUFTN-SECBINFHSA-N 1 2 240.307 0.466 20 0 BCADLO COC(=O)C1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000766829714 644670808 /nfs/dbraw/zinc/67/08/08/644670808.db2.gz HGSKRDOVIJBFNU-UHFFFAOYSA-N 1 2 238.243 0.380 20 0 BCADLO OCc1ccc(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000093013387 644674586 /nfs/dbraw/zinc/67/45/86/644674586.db2.gz FIYRSCSMSAUBIF-UHFFFAOYSA-N 1 2 239.271 0.721 20 0 BCADLO OCc1ccc(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000093013387 644674588 /nfs/dbraw/zinc/67/45/88/644674588.db2.gz FIYRSCSMSAUBIF-UHFFFAOYSA-N 1 2 239.271 0.721 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)CCOCC ZINC000093313475 644686177 /nfs/dbraw/zinc/68/61/77/644686177.db2.gz WYOSBXQQTGJRTQ-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)CCOCC ZINC000093313475 644686182 /nfs/dbraw/zinc/68/61/82/644686182.db2.gz WYOSBXQQTGJRTQ-UHFFFAOYSA-N 1 2 237.365 0.780 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2C)C1 ZINC000249501761 644725091 /nfs/dbraw/zinc/72/50/91/644725091.db2.gz XKBNDNUKRSJJRD-ZJUUUORDSA-N 1 2 244.360 0.629 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2C)C1 ZINC000249501761 644725093 /nfs/dbraw/zinc/72/50/93/644725093.db2.gz XKBNDNUKRSJJRD-ZJUUUORDSA-N 1 2 244.360 0.629 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)nc1 ZINC000782603796 644743023 /nfs/dbraw/zinc/74/30/23/644743023.db2.gz ITZDNFRKSUONQL-CMPLNLGQSA-N 1 2 219.288 0.599 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)nc1 ZINC000782603796 644743027 /nfs/dbraw/zinc/74/30/27/644743027.db2.gz ITZDNFRKSUONQL-CMPLNLGQSA-N 1 2 219.288 0.599 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000957989932 644766443 /nfs/dbraw/zinc/76/64/43/644766443.db2.gz CJPXSRGNJHINAD-IAZYJMLFSA-N 1 2 235.287 0.549 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000957989932 644766445 /nfs/dbraw/zinc/76/64/45/644766445.db2.gz CJPXSRGNJHINAD-IAZYJMLFSA-N 1 2 235.287 0.549 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)o1 ZINC000957992877 644767141 /nfs/dbraw/zinc/76/71/41/644767141.db2.gz RPKUSOLRAULBMF-PJXYFTJBSA-N 1 2 249.314 0.803 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)o1 ZINC000957992877 644767145 /nfs/dbraw/zinc/76/71/45/644767145.db2.gz RPKUSOLRAULBMF-PJXYFTJBSA-N 1 2 249.314 0.803 20 0 BCADLO CCNC(=O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792161493 644791649 /nfs/dbraw/zinc/79/16/49/644791649.db2.gz VEXVCCIVKAXGGK-UHFFFAOYSA-N 1 2 237.259 0.233 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000251959375 644832675 /nfs/dbraw/zinc/83/26/75/644832675.db2.gz VMONTJKZOKNYCV-LPEHRKFASA-N 1 2 215.293 0.953 20 0 BCADLO C[C@H]1C[N@H+](Cn2cnnc2)C[C@@H](C2CC2)O1 ZINC000794651209 644804626 /nfs/dbraw/zinc/80/46/26/644804626.db2.gz GNSAYZDELAEWBO-ONGXEEELSA-N 1 2 222.292 0.735 20 0 BCADLO C[C@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C2CC2)O1 ZINC000794651209 644804632 /nfs/dbraw/zinc/80/46/32/644804632.db2.gz GNSAYZDELAEWBO-ONGXEEELSA-N 1 2 222.292 0.735 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084095 644858853 /nfs/dbraw/zinc/85/88/53/644858853.db2.gz PYBSMSAASDOVDD-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084095 644858854 /nfs/dbraw/zinc/85/88/54/644858854.db2.gz PYBSMSAASDOVDD-QWRGUYRKSA-N 1 2 226.320 0.923 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@H](O)C(C)(C)C ZINC000837681926 645203051 /nfs/dbraw/zinc/20/30/51/645203051.db2.gz RAAAOMCZDFFRCV-JTQLQIEISA-N 1 2 240.303 0.913 20 0 BCADLO CCN1C[C@H]([NH2+][C@@H](C)c2cnn(C)n2)CC1=O ZINC000926526650 645254389 /nfs/dbraw/zinc/25/43/89/645254389.db2.gz NHAULMIMFCVXSW-DTWKUNHWSA-N 1 2 237.307 0.087 20 0 BCADLO CCN1C[C@H]([NH2+][C@H](C)c2nonc2C)CC1=O ZINC000926529864 645256382 /nfs/dbraw/zinc/25/63/82/645256382.db2.gz YVWQYLHSVGJMFI-VXNVDRBHSA-N 1 2 238.291 0.649 20 0 BCADLO COCC(COC)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926529088 645257849 /nfs/dbraw/zinc/25/78/49/645257849.db2.gz CPWPOCFRHHBEFY-WPRPVWTQSA-N 1 2 240.307 0.535 20 0 BCADLO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ncc[nH]1 ZINC000926587439 645303421 /nfs/dbraw/zinc/30/34/21/645303421.db2.gz JULMARYTSWQKGL-QMMMGPOBSA-N 1 2 243.332 0.638 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268075 645319790 /nfs/dbraw/zinc/31/97/90/645319790.db2.gz BLIUYJSWIPMGAG-KOLCDFICSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000844268075 645319800 /nfs/dbraw/zinc/31/98/00/645319800.db2.gz BLIUYJSWIPMGAG-KOLCDFICSA-N 1 2 240.303 0.690 20 0 BCADLO CNC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844369602 645320653 /nfs/dbraw/zinc/32/06/53/645320653.db2.gz ZDCDWNTWTSDWGS-MRVPVSSYSA-N 1 2 225.248 0.123 20 0 BCADLO CCn1ncc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000848928458 645445761 /nfs/dbraw/zinc/44/57/61/645445761.db2.gz DVRAQDUQFRUDDI-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000848928458 645445774 /nfs/dbraw/zinc/44/57/74/645445774.db2.gz DVRAQDUQFRUDDI-SECBINFHSA-N 1 2 224.308 0.643 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@@H+]1C)c1cc(CO)on1 ZINC000926896154 645479468 /nfs/dbraw/zinc/47/94/68/645479468.db2.gz ZHLQBTIVSYIIFC-BDAKNGLRSA-N 1 2 225.292 0.522 20 0 BCADLO C[C@@H](NC[C@@H]1CC[N@H+]1C)c1cc(CO)on1 ZINC000926896154 645479479 /nfs/dbraw/zinc/47/94/79/645479479.db2.gz ZHLQBTIVSYIIFC-BDAKNGLRSA-N 1 2 225.292 0.522 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H](O)c1ccccn1 ZINC000857437313 645559437 /nfs/dbraw/zinc/55/94/37/645559437.db2.gz QXEYRJAOFHLAGM-NSHDSACASA-N 1 2 246.270 0.128 20 0 BCADLO C[N@H+](CC(F)F)C1CCN(C(=O)CO)CC1 ZINC000857457944 645564501 /nfs/dbraw/zinc/56/45/01/645564501.db2.gz OVMAVGKBYZDERZ-UHFFFAOYSA-N 1 2 236.262 0.167 20 0 BCADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CO)CC1 ZINC000857457944 645564507 /nfs/dbraw/zinc/56/45/07/645564507.db2.gz OVMAVGKBYZDERZ-UHFFFAOYSA-N 1 2 236.262 0.167 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927137773 645565389 /nfs/dbraw/zinc/56/53/89/645565389.db2.gz XODVUNVHJKPPOR-QPUJVOFHSA-N 1 2 249.318 0.836 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccsn1 ZINC000857506270 645581820 /nfs/dbraw/zinc/58/18/20/645581820.db2.gz ADKIIHRTKMZNFG-UHFFFAOYSA-N 1 2 222.273 0.807 20 0 BCADLO COC(=O)/C(C)=C/CNC(=O)Cn1cc[nH+]c1 ZINC000927974121 645667608 /nfs/dbraw/zinc/66/76/08/645667608.db2.gz JCOJSNQYRWPCCO-YCRREMRBSA-N 1 2 237.259 0.119 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859215444 645678265 /nfs/dbraw/zinc/67/82/65/645678265.db2.gz HCVCRIHNLIODSO-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccnc(F)c1 ZINC000859215444 645678274 /nfs/dbraw/zinc/67/82/74/645678274.db2.gz HCVCRIHNLIODSO-SECBINFHSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@H+](CCOCC1CC1)[C@@H]1CCOC1=O ZINC000130961320 645848621 /nfs/dbraw/zinc/84/86/21/645848621.db2.gz PHJYVHZHAZOQBA-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO C[N@@H+](CCOCC1CC1)[C@@H]1CCOC1=O ZINC000130961320 645848623 /nfs/dbraw/zinc/84/86/23/645848623.db2.gz PHJYVHZHAZOQBA-SNVBAGLBSA-N 1 2 213.277 0.660 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CSC ZINC000928637432 645851917 /nfs/dbraw/zinc/85/19/17/645851917.db2.gz ZUPAVFYGKVWLIG-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C ZINC000928646663 645852408 /nfs/dbraw/zinc/85/24/08/645852408.db2.gz IWRRMZWYVQUKSK-GRYCIOLGSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)OC ZINC000928638852 645852416 /nfs/dbraw/zinc/85/24/16/645852416.db2.gz KZDHBDSBVUGBPG-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)OC ZINC000928638850 645853258 /nfs/dbraw/zinc/85/32/58/645853258.db2.gz KZDHBDSBVUGBPG-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCF ZINC000928647056 645853657 /nfs/dbraw/zinc/85/36/57/645853657.db2.gz DTAACYPVWJYEOX-JTQLQIEISA-N 1 2 232.299 0.573 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000928888169 645876845 /nfs/dbraw/zinc/87/68/45/645876845.db2.gz ZZTQJKZUTBZIQR-CBAPKCEASA-N 1 2 209.249 0.103 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000928915401 645887696 /nfs/dbraw/zinc/88/76/96/645887696.db2.gz RWOJMHHGBWEVSP-YUMQZZPRSA-N 1 2 209.249 0.103 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000928915399 645892366 /nfs/dbraw/zinc/89/23/66/645892366.db2.gz RWOJMHHGBWEVSP-JGVFFNPUSA-N 1 2 209.249 0.103 20 0 BCADLO C(C[N@@H+]1CCOC[C@]12CCOC2)OC1CC1 ZINC000930323109 645952722 /nfs/dbraw/zinc/95/27/22/645952722.db2.gz DGZAJBSZXLVYBL-GFCCVEGCSA-N 1 2 227.304 0.657 20 0 BCADLO C(C[N@H+]1CCOC[C@]12CCOC2)OC1CC1 ZINC000930323109 645952734 /nfs/dbraw/zinc/95/27/34/645952734.db2.gz DGZAJBSZXLVYBL-GFCCVEGCSA-N 1 2 227.304 0.657 20 0 BCADLO CC1(CC(=O)NCCCn2cc[nH+]c2)COC1 ZINC000929156862 645980918 /nfs/dbraw/zinc/98/09/18/645980918.db2.gz OWZVQYQZYUXEPN-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000924128180 645990249 /nfs/dbraw/zinc/99/02/49/645990249.db2.gz KDMXBQZOCTVPCJ-DGCLKSJQSA-N 1 2 249.314 0.716 20 0 BCADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)c(C)nn1 ZINC000929189694 645993653 /nfs/dbraw/zinc/99/36/53/645993653.db2.gz SGTNHUYRWJOHIR-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)c(C)nn1 ZINC000929189694 645993655 /nfs/dbraw/zinc/99/36/55/645993655.db2.gz SGTNHUYRWJOHIR-UHFFFAOYSA-N 1 2 236.319 0.789 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000929231238 646023821 /nfs/dbraw/zinc/02/38/21/646023821.db2.gz GZIKWVVIDBUZRY-TTZKWOQHSA-N 1 2 240.303 0.446 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000929231238 646023825 /nfs/dbraw/zinc/02/38/25/646023825.db2.gz GZIKWVVIDBUZRY-TTZKWOQHSA-N 1 2 240.303 0.446 20 0 BCADLO CC[C@@](O)(C[N@H+](C)CC(=O)NC)C(F)(F)F ZINC000929259015 646042169 /nfs/dbraw/zinc/04/21/69/646042169.db2.gz MXJWOGZHZXAWFE-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO CC[C@@](O)(C[N@@H+](C)CC(=O)NC)C(F)(F)F ZINC000929259015 646042173 /nfs/dbraw/zinc/04/21/73/646042173.db2.gz MXJWOGZHZXAWFE-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO OCC[N@H+](Cc1noc2c1COCC2)C1CC1 ZINC000929266394 646045190 /nfs/dbraw/zinc/04/51/90/646045190.db2.gz OOIXOZFFAQCPTC-UHFFFAOYSA-N 1 2 238.287 0.704 20 0 BCADLO OCC[N@@H+](Cc1noc2c1COCC2)C1CC1 ZINC000929266394 646045193 /nfs/dbraw/zinc/04/51/93/646045193.db2.gz OOIXOZFFAQCPTC-UHFFFAOYSA-N 1 2 238.287 0.704 20 0 BCADLO C[C@@H](c1ccc(F)nc1)[N@H+](C)CC(N)=O ZINC000929263062 646046271 /nfs/dbraw/zinc/04/62/71/646046271.db2.gz ULFVZOPRGVCCPC-ZETCQYMHSA-N 1 2 211.240 0.699 20 0 BCADLO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC(N)=O ZINC000929263062 646046276 /nfs/dbraw/zinc/04/62/76/646046276.db2.gz ULFVZOPRGVCCPC-ZETCQYMHSA-N 1 2 211.240 0.699 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)C1(O)CCC1 ZINC000929294724 646068283 /nfs/dbraw/zinc/06/82/83/646068283.db2.gz FJZFIPHTDOHYNC-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@@H](O)C1(O)CCC1 ZINC000929294724 646068288 /nfs/dbraw/zinc/06/82/88/646068288.db2.gz FJZFIPHTDOHYNC-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000924564218 646069274 /nfs/dbraw/zinc/06/92/74/646069274.db2.gz MDLLXRYPGNZKIY-SFYZADRCSA-N 1 2 241.291 0.858 20 0 BCADLO CCOC(=O)C[N@H+](CC)C[C@H](O)C1(O)CCC1 ZINC000929359840 646090888 /nfs/dbraw/zinc/09/08/88/646090888.db2.gz HVNOAUCVBMHQBX-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)C1(O)CCC1 ZINC000929359840 646090893 /nfs/dbraw/zinc/09/08/93/646090893.db2.gz HVNOAUCVBMHQBX-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000924755252 646102341 /nfs/dbraw/zinc/10/23/41/646102341.db2.gz HYSCNDBKPOVVFE-XINAWCOVSA-N 1 2 239.197 0.952 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCNC(=O)[C@H]1C ZINC000929488421 646143112 /nfs/dbraw/zinc/14/31/12/646143112.db2.gz SOACAFQCPZZKIB-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCNC(=O)[C@H]1C ZINC000929488421 646143116 /nfs/dbraw/zinc/14/31/16/646143116.db2.gz SOACAFQCPZZKIB-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C/C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000929626131 646208995 /nfs/dbraw/zinc/20/89/95/646208995.db2.gz HQZLKRPKCSALRL-CDCCAWJDSA-N 1 2 249.376 0.944 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000929626131 646209002 /nfs/dbraw/zinc/20/90/02/646209002.db2.gz HQZLKRPKCSALRL-CDCCAWJDSA-N 1 2 249.376 0.944 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)C1(O)CCC1 ZINC000929625170 646209578 /nfs/dbraw/zinc/20/95/78/646209578.db2.gz QGDLQQZJUKJGON-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@H](O)C1(O)CCC1 ZINC000929625170 646209582 /nfs/dbraw/zinc/20/95/82/646209582.db2.gz QGDLQQZJUKJGON-JTQLQIEISA-N 1 2 225.292 0.117 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOC1CC1 ZINC000929641497 646215800 /nfs/dbraw/zinc/21/58/00/646215800.db2.gz RSSKNCSICDJTKS-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOC1CC1 ZINC000929641497 646215808 /nfs/dbraw/zinc/21/58/08/646215808.db2.gz RSSKNCSICDJTKS-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000929655089 646226311 /nfs/dbraw/zinc/22/63/11/646226311.db2.gz UCPFZPYOPIDOQV-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000929655089 646226314 /nfs/dbraw/zinc/22/63/14/646226314.db2.gz UCPFZPYOPIDOQV-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H](O)C1(O)CCC1 ZINC000929695661 646249672 /nfs/dbraw/zinc/24/96/72/646249672.db2.gz IDTZPUBOKUIDHT-SNVBAGLBSA-N 1 2 226.276 0.382 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H](O)C1(O)CCC1 ZINC000929695661 646249674 /nfs/dbraw/zinc/24/96/74/646249674.db2.gz IDTZPUBOKUIDHT-SNVBAGLBSA-N 1 2 226.276 0.382 20 0 BCADLO Cc1cc(C)[nH+]c(CN2CCN(C)C(=O)C2)c1 ZINC000929694489 646250461 /nfs/dbraw/zinc/25/04/61/646250461.db2.gz IWWXZBHVLUUPMB-UHFFFAOYSA-N 1 2 233.315 0.972 20 0 BCADLO CN(Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925430368 646279189 /nfs/dbraw/zinc/27/91/89/646279189.db2.gz PKQSIOAXLLCDQE-JTQLQIEISA-N 1 2 237.307 0.255 20 0 BCADLO CN(Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925430368 646279198 /nfs/dbraw/zinc/27/91/98/646279198.db2.gz PKQSIOAXLLCDQE-JTQLQIEISA-N 1 2 237.307 0.255 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCF ZINC000925598443 646352037 /nfs/dbraw/zinc/35/20/37/646352037.db2.gz KVGKEXHOPZPKCE-JTQLQIEISA-N 1 2 247.314 0.366 20 0 BCADLO C[C@H](NCC[NH+]1CCC1)c1cnn(C)n1 ZINC000925604526 646354882 /nfs/dbraw/zinc/35/48/82/646354882.db2.gz KVZHYGUSBAYHTK-VIFPVBQESA-N 1 2 209.297 0.171 20 0 BCADLO C[C@@H]1C[C@@H](NCC[NH+]2CCC2)c2ncnn21 ZINC000925603510 646355185 /nfs/dbraw/zinc/35/51/85/646355185.db2.gz CEUHMQIHAZCLDI-NXEZZACHSA-N 1 2 221.308 0.579 20 0 BCADLO CC(C)(C)[C@H]([NH2+]Cc1nncs1)C(N)=O ZINC000930012366 646395096 /nfs/dbraw/zinc/39/50/96/646395096.db2.gz ZQJLRGGAHSEJKT-SSDOTTSWSA-N 1 2 228.321 0.528 20 0 BCADLO CNC(=O)N1CC[NH+](C/C=C(\C)COC)CC1 ZINC000930012318 646395524 /nfs/dbraw/zinc/39/55/24/646395524.db2.gz HXDDZCNOVNMDNQ-NYYWCZLTSA-N 1 2 241.335 0.536 20 0 BCADLO C[C@]1(C(=O)N2CC[NH+](CCO)CC2)C=CCC1 ZINC000930036783 646405917 /nfs/dbraw/zinc/40/59/17/646405917.db2.gz ZKXBPEYYOPDGPE-ZDUSSCGKSA-N 1 2 238.331 0.479 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000930069910 646419868 /nfs/dbraw/zinc/41/98/68/646419868.db2.gz SGGDFUDMYAMJLH-LLVKDONJSA-N 1 2 237.303 0.573 20 0 BCADLO c1[nH]nc2c1CC[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000930069910 646419873 /nfs/dbraw/zinc/41/98/73/646419873.db2.gz SGGDFUDMYAMJLH-LLVKDONJSA-N 1 2 237.303 0.573 20 0 BCADLO C[N@H+](Cc1cnn(CCF)c1)[C@@H]1CCNC1=O ZINC000930106357 646438551 /nfs/dbraw/zinc/43/85/51/646438551.db2.gz XBDHMZZKLXONJV-SNVBAGLBSA-N 1 2 240.282 0.173 20 0 BCADLO C[N@@H+](Cc1cnn(CCF)c1)[C@@H]1CCNC1=O ZINC000930106357 646438555 /nfs/dbraw/zinc/43/85/55/646438555.db2.gz XBDHMZZKLXONJV-SNVBAGLBSA-N 1 2 240.282 0.173 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(COC2)O1 ZINC000930120682 646443617 /nfs/dbraw/zinc/44/36/17/646443617.db2.gz GLNKPNAQRAHGRQ-JTQLQIEISA-N 1 2 237.303 0.790 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(COC2)O1 ZINC000930120682 646443619 /nfs/dbraw/zinc/44/36/19/646443619.db2.gz GLNKPNAQRAHGRQ-JTQLQIEISA-N 1 2 237.303 0.790 20 0 BCADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)C1(O)CCOCC1 ZINC000930172719 646472849 /nfs/dbraw/zinc/47/28/49/646472849.db2.gz FSBSIBWPJOPEHV-NSHDSACASA-N 1 2 245.294 0.448 20 0 BCADLO O[C@@H](C[N@H+]1CCC=C(F)C1)C1(O)CCOCC1 ZINC000930172719 646472853 /nfs/dbraw/zinc/47/28/53/646472853.db2.gz FSBSIBWPJOPEHV-NSHDSACASA-N 1 2 245.294 0.448 20 0 BCADLO CC[S@](C)(=O)=NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000925822215 646494885 /nfs/dbraw/zinc/49/48/85/646494885.db2.gz KAEAAZRQMWIJEO-RTHLEPHNSA-N 1 2 218.322 0.582 20 0 BCADLO CC[S@](C)(=O)=NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000925822215 646494891 /nfs/dbraw/zinc/49/48/91/646494891.db2.gz KAEAAZRQMWIJEO-RTHLEPHNSA-N 1 2 218.322 0.582 20 0 BCADLO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ncco1 ZINC000926118087 646577826 /nfs/dbraw/zinc/57/78/26/646577826.db2.gz YDDHAGNVQZSZOD-MRVPVSSYSA-N 1 2 249.274 0.478 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nonc1C ZINC000926263904 646608263 /nfs/dbraw/zinc/60/82/63/646608263.db2.gz YDZIXOPUPAKQDF-IONNQARKSA-N 1 2 240.307 0.895 20 0 BCADLO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)on1 ZINC000926272480 646609912 /nfs/dbraw/zinc/60/99/12/646609912.db2.gz MXYHBVMOMDEURP-SFYZADRCSA-N 1 2 241.291 0.811 20 0 BCADLO Cc1cc(C)[nH+]c(CN2CCOC[C@H]2CO)c1 ZINC000723878043 711542496 /nfs/dbraw/zinc/54/24/96/711542496.db2.gz CQBHBOMYAKOAQF-CYBMUJFWSA-N 1 2 236.315 0.892 20 0 BCADLO CCOCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724730370 711609737 /nfs/dbraw/zinc/60/97/37/711609737.db2.gz ROTBLRLLOZVHGH-LURJTMIESA-N 1 2 210.224 0.122 20 0 BCADLO CCNC(=S)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136029490 711681319 /nfs/dbraw/zinc/68/13/19/711681319.db2.gz BJCPCWRXWMDWMX-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO NC(=O)C1([NH2+]Cc2nccn2C2CC2)CC1 ZINC000893554640 711735896 /nfs/dbraw/zinc/73/58/96/711735896.db2.gz ZSLWPNOYQCBTHS-UHFFFAOYSA-N 1 2 220.276 0.326 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000399353202 711746933 /nfs/dbraw/zinc/74/69/33/711746933.db2.gz ZHMDNXQIAINQHK-APPZFPTMSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000399353202 711746936 /nfs/dbraw/zinc/74/69/36/711746936.db2.gz ZHMDNXQIAINQHK-APPZFPTMSA-N 1 2 210.281 0.458 20 0 BCADLO CC(=O)NCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000383489421 711827007 /nfs/dbraw/zinc/82/70/07/711827007.db2.gz RZRCXYPUZLQIJY-VIFPVBQESA-N 1 2 244.335 0.832 20 0 BCADLO Cc1cocc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030797408 711843289 /nfs/dbraw/zinc/84/32/89/711843289.db2.gz BHUYALPKWSZDKU-SECBINFHSA-N 1 2 238.287 0.383 20 0 BCADLO OC[C@H]1CN(c2cccc[nH+]2)C[C@H]1CO ZINC000705344138 712129378 /nfs/dbraw/zinc/12/93/78/712129378.db2.gz PPEPHXXKFLYTKO-AOOOYVTPSA-N 1 2 208.261 0.119 20 0 BCADLO OC[C@H]1CN(c2cc[nH+]cc2F)C[C@H]1CO ZINC000705357340 712130238 /nfs/dbraw/zinc/13/02/38/712130238.db2.gz FHQPTDQGMXAMFY-DTORHVGOSA-N 1 2 226.251 0.258 20 0 BCADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cn(C)cn1 ZINC000709920232 712232887 /nfs/dbraw/zinc/23/28/87/712232887.db2.gz OGZZLLZQVQZIBG-ZETCQYMHSA-N 1 2 246.261 0.452 20 0 BCADLO CNc1cc(N[C@H]2COC[C@@H]2C)nc[nH+]1 ZINC000710901063 712262009 /nfs/dbraw/zinc/26/20/09/712262009.db2.gz KOHZXCCJBBJVMU-YUMQZZPRSA-N 1 2 208.265 0.965 20 0 BCADLO CNc1cc(N[C@H]2COC[C@@H]2C)[nH+]cn1 ZINC000710901063 712262011 /nfs/dbraw/zinc/26/20/11/712262011.db2.gz KOHZXCCJBBJVMU-YUMQZZPRSA-N 1 2 208.265 0.965 20 0 BCADLO CCn1cnnc1C[NH2+][C@H]1CCC1(OC)OC ZINC000710957198 712267982 /nfs/dbraw/zinc/26/79/82/712267982.db2.gz XFGKUGXRFMCMSU-VIFPVBQESA-N 1 2 240.307 0.539 20 0 BCADLO Cc1nnc(C[NH2+][C@]23C[C@H]2COC3)s1 ZINC000717975976 712386752 /nfs/dbraw/zinc/38/67/52/712386752.db2.gz UEHQWRGQBHFXNI-CBAPKCEASA-N 1 2 211.290 0.725 20 0 BCADLO CCOCCC[NH2+][C@]1(C)CCOC1=O ZINC000379593532 712389592 /nfs/dbraw/zinc/38/95/92/712389592.db2.gz BVJJDRVDLFRWGJ-SNVBAGLBSA-N 1 2 201.266 0.708 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC000712284318 712394455 /nfs/dbraw/zinc/39/44/55/712394455.db2.gz MPVBVFCMFZAUII-QMMMGPOBSA-N 1 2 221.260 0.221 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC000712284318 712394457 /nfs/dbraw/zinc/39/44/57/712394457.db2.gz MPVBVFCMFZAUII-QMMMGPOBSA-N 1 2 221.260 0.221 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC000714252518 712480645 /nfs/dbraw/zinc/48/06/45/712480645.db2.gz WVNLPHWQFSKETF-FKQCQYRASA-N 1 2 247.345 0.203 20 0 BCADLO CCCn1cc(C[NH2+][C@H]2CCCNC2=O)nn1 ZINC000714516740 712493570 /nfs/dbraw/zinc/49/35/70/712493570.db2.gz XFODDQBPEDSRFL-JTQLQIEISA-N 1 2 237.307 0.056 20 0 BCADLO CCCn1cc(C[NH2+]CC(=O)NC2CC2)nn1 ZINC000714513115 712493609 /nfs/dbraw/zinc/49/36/09/712493609.db2.gz IORBAZQVQZGPSB-UHFFFAOYSA-N 1 2 237.307 0.056 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715901107 712541104 /nfs/dbraw/zinc/54/11/04/712541104.db2.gz IRSSFBQQLGPVBK-DTWKUNHWSA-N 1 2 239.323 0.333 20 0 BCADLO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000379957933 712636600 /nfs/dbraw/zinc/63/66/00/712636600.db2.gz GLORRHJXXZDOBW-IUCAKERBSA-N 1 2 210.281 0.472 20 0 BCADLO Cc1nnc([C@H](C)[NH2+]CC2OCCO2)s1 ZINC000389926503 712691311 /nfs/dbraw/zinc/69/13/11/712691311.db2.gz WOPKWWCHBOCJPX-LURJTMIESA-N 1 2 229.305 0.870 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C1=COCCO1 ZINC000380250486 712846337 /nfs/dbraw/zinc/84/63/37/712846337.db2.gz KSHAERJSTZCPID-UHFFFAOYSA-N 1 2 223.232 0.223 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001037996835 712897631 /nfs/dbraw/zinc/89/76/31/712897631.db2.gz MOUAWEPSOIKIGU-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001037996835 712897632 /nfs/dbraw/zinc/89/76/32/712897632.db2.gz MOUAWEPSOIKIGU-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC[NH2+]Cc1noc(Cn2cccn2)n1 ZINC000381550786 710653923 /nfs/dbraw/zinc/65/39/23/710653923.db2.gz AEZGTENGESRKHC-UHFFFAOYSA-N 1 2 207.237 0.424 20 0 BCADLO CSc1cnc(NCCn2cc[nH+]c2)nc1 ZINC000381606624 710661770 /nfs/dbraw/zinc/66/17/70/710661770.db2.gz QJTXKPDGDZDPHW-UHFFFAOYSA-N 1 2 235.316 0.929 20 0 BCADLO CNc1cc(NC[C@@](C)(O)C(C)C)[nH+]cn1 ZINC000381680510 710670449 /nfs/dbraw/zinc/67/04/49/710670449.db2.gz XYSPPPTWKNTXAR-LLVKDONJSA-N 1 2 224.308 0.759 20 0 BCADLO CCC[N@@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038842801 710711075 /nfs/dbraw/zinc/71/10/75/710711075.db2.gz WFAVSMXRUZEGOS-MRVPVSSYSA-N 1 2 223.280 0.019 20 0 BCADLO CCC[N@H+]1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038842801 710711077 /nfs/dbraw/zinc/71/10/77/710711077.db2.gz WFAVSMXRUZEGOS-MRVPVSSYSA-N 1 2 223.280 0.019 20 0 BCADLO [NH3+][C@@H](CC(=O)NCC[C@H]1CCCO1)C(F)F ZINC000724770911 710745933 /nfs/dbraw/zinc/74/59/33/710745933.db2.gz IHXIXCJLFWPNHZ-SFYZADRCSA-N 1 2 236.262 0.654 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccncc2F)C1 ZINC000382082641 710775182 /nfs/dbraw/zinc/77/51/82/710775182.db2.gz IXWWQTSYTPKHAF-UHFFFAOYSA-N 1 2 223.251 0.655 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042477620 710786501 /nfs/dbraw/zinc/78/65/01/710786501.db2.gz AZFKIJLRIIVLAX-SECBINFHSA-N 1 2 238.287 0.417 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCC3)C1 ZINC001042859410 710799839 /nfs/dbraw/zinc/79/98/39/710799839.db2.gz GKYJUEAOCXALHO-UHFFFAOYSA-N 1 2 248.330 0.605 20 0 BCADLO CCO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000382177788 710806349 /nfs/dbraw/zinc/80/63/49/710806349.db2.gz YLYXPKGKSYGLJP-UHFFFAOYSA-N 1 2 202.645 0.856 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2n[nH]cc2F)C1 ZINC001043773748 710813644 /nfs/dbraw/zinc/81/36/44/710813644.db2.gz ZXSGUMPNYPXEBN-UHFFFAOYSA-N 1 2 226.255 0.325 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnc(C)nc2C)C1 ZINC001044063963 710817708 /nfs/dbraw/zinc/81/77/08/710817708.db2.gz HLOXDZQBTWKXSH-UHFFFAOYSA-N 1 2 248.330 0.870 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccncn2)C1 ZINC001044068352 710817951 /nfs/dbraw/zinc/81/79/51/710817951.db2.gz OFBOLEZYOWDQSY-UHFFFAOYSA-N 1 2 220.276 0.253 20 0 BCADLO CC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001044890458 710830352 /nfs/dbraw/zinc/83/03/52/710830352.db2.gz NPRGAVZJNJZACL-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001046085585 710845396 /nfs/dbraw/zinc/84/53/96/710845396.db2.gz BVEPAOGHZIOYNP-LLVKDONJSA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001046085585 710845399 /nfs/dbraw/zinc/84/53/99/710845399.db2.gz BVEPAOGHZIOYNP-LLVKDONJSA-N 1 2 223.276 0.775 20 0 BCADLO COC(OC)[C@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000383722541 710882897 /nfs/dbraw/zinc/88/28/97/710882897.db2.gz YPIBNJHXRXTPOB-VIFPVBQESA-N 1 2 242.323 0.956 20 0 BCADLO COC1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000383761460 710903913 /nfs/dbraw/zinc/90/39/13/710903913.db2.gz LOYKELMTFWWEAB-CYBMUJFWSA-N 1 2 232.283 0.922 20 0 BCADLO CCC[NH+]1CC2(C1)CN(C(C)=O)CCO2 ZINC001053117694 710919967 /nfs/dbraw/zinc/91/99/67/710919967.db2.gz LTJCUCNPEWTXMN-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CCC(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053708524 710921617 /nfs/dbraw/zinc/92/16/17/710921617.db2.gz FCMQNNKPAJOXQX-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)C)CO2 ZINC001053740290 710922447 /nfs/dbraw/zinc/92/24/47/710922447.db2.gz HKYMKLXDEGBIQM-JTQLQIEISA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053898233 710922806 /nfs/dbraw/zinc/92/28/06/710922806.db2.gz FSIALGFCUKKXQR-AXFHLTTASA-N 1 2 238.331 0.622 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC1)CO2 ZINC001053811306 710923238 /nfs/dbraw/zinc/92/32/38/710923238.db2.gz NHYNNINCNNJFBW-JTQLQIEISA-N 1 2 238.331 0.766 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001050932877 710955558 /nfs/dbraw/zinc/95/55/58/710955558.db2.gz SZOQCDMTTKBWJO-LLVKDONJSA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001050932877 710955561 /nfs/dbraw/zinc/95/55/61/710955561.db2.gz SZOQCDMTTKBWJO-LLVKDONJSA-N 1 2 237.303 0.465 20 0 BCADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051066114 710956359 /nfs/dbraw/zinc/95/63/59/710956359.db2.gz MBJVUHUNGAIJPK-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051066114 710956363 /nfs/dbraw/zinc/95/63/63/710956363.db2.gz MBJVUHUNGAIJPK-TUAOUCFPSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000383516083 710983577 /nfs/dbraw/zinc/98/35/77/710983577.db2.gz MIAHNFUAIBYWOP-NSHDSACASA-N 1 2 235.291 0.677 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000387908974 711047550 /nfs/dbraw/zinc/04/75/50/711047550.db2.gz MCEMFKDMIFKIHF-LDYMZIIASA-N 1 2 226.276 0.634 20 0 BCADLO COCc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000387908974 711047554 /nfs/dbraw/zinc/04/75/54/711047554.db2.gz MCEMFKDMIFKIHF-LDYMZIIASA-N 1 2 226.276 0.634 20 0 BCADLO CNc1cnc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000388474179 711060944 /nfs/dbraw/zinc/06/09/44/711060944.db2.gz PPNMOSMQTBNAAN-UHFFFAOYSA-N 1 2 246.274 0.182 20 0 BCADLO Cc1nc(N(C)CC2CCC2)nc(N)[nH+]1 ZINC000389411419 711078709 /nfs/dbraw/zinc/07/87/09/711078709.db2.gz PRIQQQRPNRHJEX-UHFFFAOYSA-N 1 2 207.281 0.829 20 0 BCADLO Cc1nc(N)nc(N(C)CC2CCC2)[nH+]1 ZINC000389411419 711078714 /nfs/dbraw/zinc/07/87/14/711078714.db2.gz PRIQQQRPNRHJEX-UHFFFAOYSA-N 1 2 207.281 0.829 20 0 BCADLO C[C@@]1([NH2+]CCC2OCCO2)CCOC1=O ZINC000389667337 711084953 /nfs/dbraw/zinc/08/49/53/711084953.db2.gz QFWGGCHDADRTBP-SNVBAGLBSA-N 1 2 215.249 0.045 20 0 BCADLO CC(C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000393757863 711172830 /nfs/dbraw/zinc/17/28/30/711172830.db2.gz IUTLFBSKLHPZNL-UHFFFAOYSA-N 1 2 210.233 0.308 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1ncc(C)s1 ZINC000394712940 711196377 /nfs/dbraw/zinc/19/63/77/711196377.db2.gz YMYKWTUWWKMXNY-UHFFFAOYSA-N 1 2 248.373 0.976 20 0 BCADLO CNC(=O)CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000398303282 711406788 /nfs/dbraw/zinc/40/67/88/711406788.db2.gz NSYZUFJWTSPGRK-VIFPVBQESA-N 1 2 244.335 0.832 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn[nH]2)[C@H]1OC ZINC000398414361 711409741 /nfs/dbraw/zinc/40/97/41/711409741.db2.gz RXQSYBCRKBHQPQ-IVZWLZJFSA-N 1 2 226.280 0.087 20 0 BCADLO CNc1cc(N2C[C@H](C)C[C@@H](CO)C2)nc[nH+]1 ZINC000398616897 711413778 /nfs/dbraw/zinc/41/37/78/711413778.db2.gz DBRYCKVFANUKDS-NXEZZACHSA-N 1 2 236.319 0.973 20 0 BCADLO CNc1cc(N2C[C@H](C)C[C@@H](CO)C2)[nH+]cn1 ZINC000398616897 711413780 /nfs/dbraw/zinc/41/37/80/711413780.db2.gz DBRYCKVFANUKDS-NXEZZACHSA-N 1 2 236.319 0.973 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1c1[nH+]cnc2c1cnn2C ZINC000399265044 711425868 /nfs/dbraw/zinc/42/58/68/711425868.db2.gz RDTYSNUHQDERFO-BDAKNGLRSA-N 1 2 247.302 0.713 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2CCCc3c2cnn3C)n1 ZINC000380905713 710593848 /nfs/dbraw/zinc/59/38/48/710593848.db2.gz QHLALNFCYKXFDJ-LLVKDONJSA-N 1 2 246.318 0.716 20 0 BCADLO CNc1cc(NC[C@@](C)(O)C2CC2)[nH+]cn1 ZINC000381254218 710613671 /nfs/dbraw/zinc/61/36/71/710613671.db2.gz QHIBVWHHPKWSCI-LLVKDONJSA-N 1 2 222.292 0.513 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)CSC)CCO2 ZINC001053144283 710919426 /nfs/dbraw/zinc/91/94/26/710919426.db2.gz ZOYALKBXVQYBGZ-UHFFFAOYSA-N 1 2 244.360 0.283 20 0 BCADLO CC(C)n1c[nH+]cc1CNCc1cnn(C)n1 ZINC000389827100 711091335 /nfs/dbraw/zinc/09/13/35/711091335.db2.gz SKVSCYYTLYPZNS-UHFFFAOYSA-N 1 2 234.307 0.882 20 0 BCADLO CCCNc1cc(NCc2cnn(C)n2)nc[nH+]1 ZINC000389984636 711101725 /nfs/dbraw/zinc/10/17/25/711101725.db2.gz LIBZZJLTHUAXRL-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO CCCNc1cc(NCc2cnn(C)n2)[nH+]cn1 ZINC000389984636 711101727 /nfs/dbraw/zinc/10/17/27/711101727.db2.gz LIBZZJLTHUAXRL-UHFFFAOYSA-N 1 2 247.306 0.461 20 0 BCADLO Cc1cc(C)c(CN2C(=O)CNC2=O)c[nH+]1 ZINC000396992801 711374324 /nfs/dbraw/zinc/37/43/24/711374324.db2.gz HIMZYPUXICJLHZ-UHFFFAOYSA-N 1 2 219.244 0.750 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398399521 711408925 /nfs/dbraw/zinc/40/89/25/711408925.db2.gz MGMDLRPTWAJRLN-ZJUUUORDSA-N 1 2 222.292 0.852 20 0 BCADLO CO[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398399521 711408929 /nfs/dbraw/zinc/40/89/29/711408929.db2.gz MGMDLRPTWAJRLN-ZJUUUORDSA-N 1 2 222.292 0.852 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1COC[C@@H]1C)C1CC1 ZINC000711031942 711455045 /nfs/dbraw/zinc/45/50/45/711455045.db2.gz FRDGLVFMDPFOPD-FXBDTBDDSA-N 1 2 213.277 0.563 20 0 BCADLO O=C(C[NH2+][C@H](c1ncccn1)C1CC1)N1CCC1 ZINC000932364822 711458829 /nfs/dbraw/zinc/45/88/29/711458829.db2.gz ZIDVULDUGUZFGT-LBPRGKRZSA-N 1 2 246.314 0.750 20 0 BCADLO Cc1nn(C)c(C[NH2+][C@H](C)C(N)=O)c1Cl ZINC000084270482 711486812 /nfs/dbraw/zinc/48/68/12/711486812.db2.gz NXVKHEYUCHGRNZ-ZCFIWIBFSA-N 1 2 230.699 0.345 20 0 BCADLO CNc1cc(NC[C@@H](O)C(F)(F)F)[nH+]cn1 ZINC000234509285 711558123 /nfs/dbraw/zinc/55/81/23/711558123.db2.gz DFOQGTXKWFCRMG-RXMQYKEDSA-N 1 2 236.197 0.853 20 0 BCADLO CNc1cc(N(C)[C@H]2CCOC2)nc[nH+]1 ZINC000134805316 711560779 /nfs/dbraw/zinc/56/07/79/711560779.db2.gz INMZBKQJJAFRCX-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N(C)[C@H]2CCOC2)[nH+]cn1 ZINC000134805316 711560781 /nfs/dbraw/zinc/56/07/81/711560781.db2.gz INMZBKQJJAFRCX-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CC(C)(C)c1coc(C[NH2+][C@@H]2COC[C@H]2O)n1 ZINC000724434880 711579590 /nfs/dbraw/zinc/57/95/90/711579590.db2.gz VPDSXVTYXYENCB-RKDXNWHRSA-N 1 2 240.303 0.821 20 0 BCADLO Nc1ccc(CCC(=O)OCCO)c[nH+]1 ZINC000308996138 711581946 /nfs/dbraw/zinc/58/19/46/711581946.db2.gz MPLYIMGBYVGRHR-UHFFFAOYSA-N 1 2 210.233 0.132 20 0 BCADLO NS(=O)(=O)C1(CNc2cccc[nH+]2)CCC1 ZINC000721535250 711618420 /nfs/dbraw/zinc/61/84/20/711618420.db2.gz GWVQACWMIPYYNY-UHFFFAOYSA-N 1 2 241.316 0.705 20 0 BCADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nocc1C ZINC000724892040 711626180 /nfs/dbraw/zinc/62/61/80/711626180.db2.gz SWPNLGNSGHJHCM-GHMZBOCLSA-N 1 2 226.276 0.877 20 0 BCADLO Cc1nc(N[C@@H]2CC23CC(O)C3)nc(N)[nH+]1 ZINC000724959772 711634543 /nfs/dbraw/zinc/63/45/43/711634543.db2.gz NVSUSTOMJJWQLQ-PRZNWYJVSA-N 1 2 221.264 0.088 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CC23CC(O)C3)[nH+]1 ZINC000724959772 711634546 /nfs/dbraw/zinc/63/45/46/711634546.db2.gz NVSUSTOMJJWQLQ-PRZNWYJVSA-N 1 2 221.264 0.088 20 0 BCADLO Cc1nc(N[C@H]2CC23CC(O)C3)nc(N)[nH+]1 ZINC000724959769 711634646 /nfs/dbraw/zinc/63/46/46/711634646.db2.gz NVSUSTOMJJWQLQ-DSQUFTABSA-N 1 2 221.264 0.088 20 0 BCADLO Cc1nc(N)nc(N[C@H]2CC23CC(O)C3)[nH+]1 ZINC000724959769 711634648 /nfs/dbraw/zinc/63/46/48/711634648.db2.gz NVSUSTOMJJWQLQ-DSQUFTABSA-N 1 2 221.264 0.088 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000924564629 711671222 /nfs/dbraw/zinc/67/12/22/711671222.db2.gz PCPFFGBTJWDRAX-VGMNWLOBSA-N 1 2 237.307 0.398 20 0 BCADLO CNc1cc(NC[C@H]2CC[C@@H](C)O2)[nH+]cn1 ZINC000397904210 711707748 /nfs/dbraw/zinc/70/77/48/711707748.db2.gz DDQLJHFCFQSSGS-RKDXNWHRSA-N 1 2 222.292 0.920 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000894474742 711771503 /nfs/dbraw/zinc/77/15/03/711771503.db2.gz FHZJYMFCGOYHNA-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO Cc1ncoc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000894474742 711771504 /nfs/dbraw/zinc/77/15/04/711771504.db2.gz FHZJYMFCGOYHNA-GFCCVEGCSA-N 1 2 238.287 0.974 20 0 BCADLO O[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1F ZINC000897375278 711788450 /nfs/dbraw/zinc/78/84/50/711788450.db2.gz PFEXQMXBTQJACG-WCBMZHEXSA-N 1 2 236.250 0.638 20 0 BCADLO Cc1c[nH][nH]c1=NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343404123 711796465 /nfs/dbraw/zinc/79/64/65/711796465.db2.gz QDZJDTOTOLBVBL-VIFPVBQESA-N 1 2 245.286 0.538 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CC1 ZINC001076849348 711809535 /nfs/dbraw/zinc/80/95/35/711809535.db2.gz GGOHQIYXYOAIFI-JMJZKYOTSA-N 1 2 244.310 0.163 20 0 BCADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CC1 ZINC001076849348 711809536 /nfs/dbraw/zinc/80/95/36/711809536.db2.gz GGOHQIYXYOAIFI-JMJZKYOTSA-N 1 2 244.310 0.163 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000907535222 711815757 /nfs/dbraw/zinc/81/57/57/711815757.db2.gz SAJUVFHAUFHOTI-UWVGGRQHSA-N 1 2 249.314 0.769 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000907535057 711815943 /nfs/dbraw/zinc/81/59/43/711815943.db2.gz QOZGBYMQUVDRSP-BDAKNGLRSA-N 1 2 223.276 0.228 20 0 BCADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)CCF ZINC000913507598 711822975 /nfs/dbraw/zinc/82/29/75/711822975.db2.gz QNNLFBCSECWAHN-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000913342560 711821634 /nfs/dbraw/zinc/82/16/34/711821634.db2.gz YVGXTNVRVASQQK-MGCOHNPYSA-N 1 2 235.287 0.787 20 0 BCADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)CCF ZINC000913507598 711822973 /nfs/dbraw/zinc/82/29/73/711822973.db2.gz QNNLFBCSECWAHN-VIFPVBQESA-N 1 2 218.272 0.135 20 0 BCADLO CC(=O)CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000057516656 711826819 /nfs/dbraw/zinc/82/68/19/711826819.db2.gz WQVYKNHUZUOOOL-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](C)COC ZINC000045695477 711827152 /nfs/dbraw/zinc/82/71/52/711827152.db2.gz OUIWDDXQDGNDKD-BDAKNGLRSA-N 1 2 203.282 0.810 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cncc(C)c2)C1 ZINC001030180602 711827406 /nfs/dbraw/zinc/82/74/06/711827406.db2.gz LVNJTFCFCXKRJS-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO C[C@@H]1CCC[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030357673 711831666 /nfs/dbraw/zinc/83/16/66/711831666.db2.gz LSEHPUMYSQJJMO-GHMZBOCLSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001030421312 711832876 /nfs/dbraw/zinc/83/28/76/711832876.db2.gz BZSSCGIXXIHOCM-NEPJUHHUSA-N 1 2 240.347 0.868 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001030481875 711834869 /nfs/dbraw/zinc/83/48/69/711834869.db2.gz ALLBGUHGAGITKV-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO NC(=O)C1([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000181728710 711892782 /nfs/dbraw/zinc/89/27/82/711892782.db2.gz INUVMZWNXXATDO-UHFFFAOYSA-N 1 2 231.708 0.904 20 0 BCADLO Cc1nc(NCC[C@]2(O)CCOC2)cc[nH+]1 ZINC000404153366 711909361 /nfs/dbraw/zinc/90/93/61/711909361.db2.gz RHEDNQDPZUXAQJ-NSHDSACASA-N 1 2 223.276 0.160 20 0 BCADLO Cc1ccc(CNC[C@@H]2COCC[NH2+]2)cn1 ZINC000530182530 711937849 /nfs/dbraw/zinc/93/78/49/711937849.db2.gz VYFPKUSTCZEDSO-GFCCVEGCSA-N 1 2 221.304 0.468 20 0 BCADLO CCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002191866 711947058 /nfs/dbraw/zinc/94/70/58/711947058.db2.gz JXYYFIOUAGHDIT-UHFFFAOYSA-N 1 2 248.330 0.967 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](OCC)C1 ZINC000701830530 712029951 /nfs/dbraw/zinc/02/99/51/712029951.db2.gz XIAILFUHJOGWOJ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCN(C(C)=O)[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001033713376 712015705 /nfs/dbraw/zinc/01/57/05/712015705.db2.gz BOINXCCFPHKZAC-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CCN(C(C)=O)[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001033713376 712015706 /nfs/dbraw/zinc/01/57/06/712015706.db2.gz BOINXCCFPHKZAC-LBPRGKRZSA-N 1 2 248.330 0.919 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](OCC)C1 ZINC000701830530 712029950 /nfs/dbraw/zinc/02/99/50/712029950.db2.gz XIAILFUHJOGWOJ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CO[C@@](C)(CO)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000702531753 712055156 /nfs/dbraw/zinc/05/51/56/712055156.db2.gz LKQGVFKICDKZJJ-CMPLNLGQSA-N 1 2 239.319 0.774 20 0 BCADLO CCc1nnc(C[NH2+][C@H](CC)C(=O)NC)s1 ZINC000702692527 712059159 /nfs/dbraw/zinc/05/91/59/712059159.db2.gz GSHNUNZDKYYMFX-SSDOTTSWSA-N 1 2 242.348 0.715 20 0 BCADLO CCc1nnc(C[NH2+][C@H]2CC(=O)N(C)C2)s1 ZINC000702694725 712059880 /nfs/dbraw/zinc/05/98/80/712059880.db2.gz REQSSPYHZJHGOL-ZETCQYMHSA-N 1 2 240.332 0.421 20 0 BCADLO COC1CC(C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000703502403 712077210 /nfs/dbraw/zinc/07/72/10/712077210.db2.gz IAXKNQIROJQHMK-UHFFFAOYSA-N 1 2 235.287 0.705 20 0 BCADLO CC1(O)CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000703586460 712079703 /nfs/dbraw/zinc/07/97/03/712079703.db2.gz NURSQAXBZPUEGI-UHFFFAOYSA-N 1 2 237.303 0.693 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703973295 712097374 /nfs/dbraw/zinc/09/73/74/712097374.db2.gz OXPAVRCPORMJOR-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)nn1 ZINC000703973295 712097376 /nfs/dbraw/zinc/09/73/76/712097376.db2.gz OXPAVRCPORMJOR-SNVBAGLBSA-N 1 2 249.318 0.159 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708960895 712204291 /nfs/dbraw/zinc/20/42/91/712204291.db2.gz HQSZNCXKDVCEDX-UHFFFAOYSA-N 1 2 210.281 0.252 20 0 BCADLO CCNC(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000708960895 712204292 /nfs/dbraw/zinc/20/42/92/712204292.db2.gz HQSZNCXKDVCEDX-UHFFFAOYSA-N 1 2 210.281 0.252 20 0 BCADLO COC(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000708961400 712204465 /nfs/dbraw/zinc/20/44/65/712204465.db2.gz NURKQIGNRWRPCL-QMMMGPOBSA-N 1 2 211.265 0.678 20 0 BCADLO CON(C)C(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000709065933 712207142 /nfs/dbraw/zinc/20/71/42/712207142.db2.gz GMNOOGJVKRFGGZ-UHFFFAOYSA-N 1 2 226.280 0.136 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000709065933 712207143 /nfs/dbraw/zinc/20/71/43/712207143.db2.gz GMNOOGJVKRFGGZ-UHFFFAOYSA-N 1 2 226.280 0.136 20 0 BCADLO Cc1[nH]c(CN(C)CCS(C)(=O)=O)[nH+]c1C ZINC000709068142 712207645 /nfs/dbraw/zinc/20/76/45/712207645.db2.gz HMWRWCVFYLYXMA-UHFFFAOYSA-N 1 2 245.348 0.503 20 0 BCADLO C[C@@H]1COC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000711083051 712279126 /nfs/dbraw/zinc/27/91/26/712279126.db2.gz NECGAOHTVPKAAW-VXNVDRBHSA-N 1 2 233.275 0.810 20 0 BCADLO COC(=O)[C@H]([NH2+]CCOC1CC1)C(C)C ZINC000711730825 712320321 /nfs/dbraw/zinc/32/03/21/712320321.db2.gz KBIWOXJCEVEKAQ-SNVBAGLBSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(C[NH2+]Cc1nccn1C1CC1)NCC1CC1 ZINC000711775684 712328403 /nfs/dbraw/zinc/32/84/03/712328403.db2.gz XQKSHWYIDKOUCL-UHFFFAOYSA-N 1 2 248.330 0.834 20 0 BCADLO Cc1cc(N)nc(SCCn2cnnn2)[nH+]1 ZINC000711891689 712337977 /nfs/dbraw/zinc/33/79/77/712337977.db2.gz JGYRCKLQEUQBSS-UHFFFAOYSA-N 1 2 237.292 0.146 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001079323478 712345995 /nfs/dbraw/zinc/34/59/95/712345995.db2.gz QZQWYHGCDNJCNF-MWLCHTKSSA-N 1 2 234.303 0.433 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001079323478 712345998 /nfs/dbraw/zinc/34/59/98/712345998.db2.gz QZQWYHGCDNJCNF-MWLCHTKSSA-N 1 2 234.303 0.433 20 0 BCADLO COc1c(C)c[nH+]c(CNS(N)(=O)=O)c1C ZINC000065268088 712375472 /nfs/dbraw/zinc/37/54/72/712375472.db2.gz GEKZXSSJALMLQD-UHFFFAOYSA-N 1 2 245.304 0.000 20 0 BCADLO CSC1(C[NH2+][C@H]2CCOC2=O)CC1 ZINC000379359263 712376277 /nfs/dbraw/zinc/37/62/77/712376277.db2.gz XVKXTEVYFRNCPD-ZETCQYMHSA-N 1 2 201.291 0.787 20 0 BCADLO CCn1ccnc1CNC[C@H]1CC[N@@H+]1C ZINC000712606591 712437331 /nfs/dbraw/zinc/43/73/31/712437331.db2.gz JOQWPYQSIBXRSD-SNVBAGLBSA-N 1 2 208.309 0.697 20 0 BCADLO CCn1ccnc1CNC[C@H]1CC[N@H+]1C ZINC000712606591 712437332 /nfs/dbraw/zinc/43/73/32/712437332.db2.gz JOQWPYQSIBXRSD-SNVBAGLBSA-N 1 2 208.309 0.697 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ncn(C)n1 ZINC000715064856 712505348 /nfs/dbraw/zinc/50/53/48/712505348.db2.gz CSEQFXRMNGWHNC-BDAKNGLRSA-N 1 2 240.307 0.617 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nn2)C1=O ZINC000715925763 712543373 /nfs/dbraw/zinc/54/33/73/712543373.db2.gz DBZRJHKPECJZMO-DTWKUNHWSA-N 1 2 237.307 0.087 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1OCCCO1 ZINC000716415796 712559771 /nfs/dbraw/zinc/55/97/71/712559771.db2.gz FFYSJVCLINBWHG-UHFFFAOYSA-N 1 2 249.274 0.538 20 0 BCADLO CC[C@@H](C[C@H](C)O)Nc1nc(C)[nH+]c(N)n1 ZINC000716936716 712597786 /nfs/dbraw/zinc/59/77/86/712597786.db2.gz UYJFRLDWYPVICB-XPUUQOCRSA-N 1 2 225.296 0.724 20 0 BCADLO CC[C@@H](C[C@H](C)O)Nc1nc(N)nc(C)[nH+]1 ZINC000716936716 712597787 /nfs/dbraw/zinc/59/77/87/712597787.db2.gz UYJFRLDWYPVICB-XPUUQOCRSA-N 1 2 225.296 0.724 20 0 BCADLO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000379957927 712636631 /nfs/dbraw/zinc/63/66/31/712636631.db2.gz GLORRHJXXZDOBW-DTWKUNHWSA-N 1 2 210.281 0.472 20 0 BCADLO Cc1coc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000718403836 712759204 /nfs/dbraw/zinc/75/92/04/712759204.db2.gz KSEVKAANMJJFAO-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1coc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000718403836 712759205 /nfs/dbraw/zinc/75/92/05/712759205.db2.gz KSEVKAANMJJFAO-JTQLQIEISA-N 1 2 238.287 0.337 20 0 BCADLO Cc1csc(C[NH2+]CCS(C)(=O)=O)n1 ZINC000038091209 712807535 /nfs/dbraw/zinc/80/75/35/712807535.db2.gz UQZRTZARDJVGOF-UHFFFAOYSA-N 1 2 234.346 0.586 20 0 BCADLO CC[C@H]([NH2+]Cc1cc(C)on1)C(=O)NC ZINC000720358131 712833914 /nfs/dbraw/zinc/83/39/14/712833914.db2.gz VAOXLWMUONQFMG-VIFPVBQESA-N 1 2 211.265 0.597 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001037979492 712894759 /nfs/dbraw/zinc/89/47/59/712894759.db2.gz DBKAZHVJYXDDDW-NSHDSACASA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1conc1C ZINC001037979492 712894760 /nfs/dbraw/zinc/89/47/60/712894760.db2.gz DBKAZHVJYXDDDW-NSHDSACASA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001037980538 712896409 /nfs/dbraw/zinc/89/64/09/712896409.db2.gz MIARZDJADZGFIT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001037980538 712896410 /nfs/dbraw/zinc/89/64/10/712896410.db2.gz MIARZDJADZGFIT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCC(CC)([NH2+]CCOCCO)C(=O)OC ZINC000309481654 168331683 /nfs/dbraw/zinc/33/16/83/168331683.db2.gz UBFJKBXZCSSMAQ-UHFFFAOYSA-N 1 2 233.308 0.317 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC(=O)N1 ZINC000621987061 370645065 /nfs/dbraw/zinc/64/50/65/370645065.db2.gz ITBQPWMKSNDKMS-VIFPVBQESA-N 1 2 244.254 0.551 20 0 BCADLO CCc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649863746 398146864 /nfs/dbraw/zinc/14/68/64/398146864.db2.gz NVXQBRSWKKFNRD-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649863746 398146869 /nfs/dbraw/zinc/14/68/69/398146869.db2.gz NVXQBRSWKKFNRD-QMMMGPOBSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)on1 ZINC000268420506 178006485 /nfs/dbraw/zinc/00/64/85/178006485.db2.gz GMLABJISSYBHMN-PSASIEDQSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)on1 ZINC000268420506 178006486 /nfs/dbraw/zinc/00/64/86/178006486.db2.gz GMLABJISSYBHMN-PSASIEDQSA-N 1 2 239.275 0.058 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@@H](C)CCO ZINC000649871137 398153107 /nfs/dbraw/zinc/15/31/07/398153107.db2.gz SQPXKWFTPBTTCK-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649871137 398153111 /nfs/dbraw/zinc/15/31/11/398153111.db2.gz SQPXKWFTPBTTCK-VIFPVBQESA-N 1 2 212.297 0.501 20 0 BCADLO Cc1cc(NC2COCCOC2)nc[nH+]1 ZINC000389985475 398154649 /nfs/dbraw/zinc/15/46/49/398154649.db2.gz LTDOAUZZWOMSGX-UHFFFAOYSA-N 1 2 209.249 0.612 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cncc(C)c1 ZINC000339357009 398155123 /nfs/dbraw/zinc/15/51/23/398155123.db2.gz DIVBFXZMXHXMNA-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cncc(C)c1 ZINC000339357009 398155125 /nfs/dbraw/zinc/15/51/25/398155125.db2.gz DIVBFXZMXHXMNA-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@H](C(N)=O)[N@H+](C)Cc1ncccc1C ZINC000339356735 398155217 /nfs/dbraw/zinc/15/52/17/398155217.db2.gz BLISAXCPWJEXFU-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ncccc1C ZINC000339356735 398155219 /nfs/dbraw/zinc/15/52/19/398155219.db2.gz BLISAXCPWJEXFU-LLVKDONJSA-N 1 2 237.303 0.322 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649869940 398157038 /nfs/dbraw/zinc/15/70/38/398157038.db2.gz QKWKOENMPTWZIU-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649869940 398157040 /nfs/dbraw/zinc/15/70/40/398157040.db2.gz QKWKOENMPTWZIU-MRVPVSSYSA-N 1 2 229.280 0.419 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1(CCO)CC1 ZINC000157606923 136213913 /nfs/dbraw/zinc/21/39/13/136213913.db2.gz ADQLKUTXBJJOBQ-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1nc[nH+]c(N)c1Cl ZINC000308833937 136216569 /nfs/dbraw/zinc/21/65/69/136216569.db2.gz KKTVLRXTIPGONY-NTSWFWBYSA-N 1 2 228.683 0.672 20 0 BCADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cocn2)[C@H]1OC ZINC000277606055 398177166 /nfs/dbraw/zinc/17/71/66/398177166.db2.gz LNOLZEZQZAUIDA-HBNTYKKESA-N 1 2 226.276 0.957 20 0 BCADLO Cc1n[nH]c(C)c1CC(=O)NCc1[nH]cc[nH+]1 ZINC000080586734 398181965 /nfs/dbraw/zinc/18/19/65/398181965.db2.gz SPQQFOTVCAXTOJ-UHFFFAOYSA-N 1 2 233.275 0.609 20 0 BCADLO Cc1cc(N)nc(SCCOCCO)[nH+]1 ZINC000078698299 178108789 /nfs/dbraw/zinc/10/87/89/178108789.db2.gz REKATQPUSOOLRN-UHFFFAOYSA-N 1 2 229.305 0.468 20 0 BCADLO Cc1cc(N)nc(S[C@H]2CCNC2=O)[nH+]1 ZINC000179000678 178109545 /nfs/dbraw/zinc/10/95/45/178109545.db2.gz HGOOPIHOFSVPHA-LURJTMIESA-N 1 2 224.289 0.348 20 0 BCADLO Cc1cc(N2CCNC(=O)CC2)nc[nH+]1 ZINC000301282237 178116173 /nfs/dbraw/zinc/11/61/73/178116173.db2.gz UHEDSSGHOJXGOO-UHFFFAOYSA-N 1 2 206.249 0.111 20 0 BCADLO Cc1cc(N2CC[C@@H](c3nnc[nH]3)C2)nc[nH+]1 ZINC000333397861 178118454 /nfs/dbraw/zinc/11/84/54/178118454.db2.gz FDZRAHPDVROWEL-SECBINFHSA-N 1 2 230.275 0.897 20 0 BCADLO Cc1c[nH+]c(C)nc1N(C)CC(=O)N(C)C ZINC000576270286 365544196 /nfs/dbraw/zinc/54/41/96/365544196.db2.gz MHSTVEQLFXFFNU-UHFFFAOYSA-N 1 2 222.292 0.618 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+](C)C2(CO)CC2)no1 ZINC000285644381 178129402 /nfs/dbraw/zinc/12/94/02/178129402.db2.gz XYGXTUIUXLGMGZ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+](C)C2(CO)CC2)no1 ZINC000285644381 178129404 /nfs/dbraw/zinc/12/94/04/178129404.db2.gz XYGXTUIUXLGMGZ-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)on1 ZINC000178004728 178130239 /nfs/dbraw/zinc/13/02/39/178130239.db2.gz KHIJSIJEFSNWKB-NSHDSACASA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CC[C@](C)(O)C2)on1 ZINC000178004728 178130242 /nfs/dbraw/zinc/13/02/42/178130242.db2.gz KHIJSIJEFSNWKB-NSHDSACASA-N 1 2 239.275 0.378 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C)c1cscn1 ZINC000163002428 538925907 /nfs/dbraw/zinc/92/59/07/538925907.db2.gz WGIPVBMNPOCVEM-ZETCQYMHSA-N 1 2 213.306 0.882 20 0 BCADLO Cc1cc(NC(=O)N2CCN(C)C(=O)C2)cc[nH+]1 ZINC000119600517 178137857 /nfs/dbraw/zinc/13/78/57/178137857.db2.gz OPVXHOFFFNRFRQ-UHFFFAOYSA-N 1 2 248.286 0.696 20 0 BCADLO COC[C@](C)(CCO)[NH2+]Cc1noc(C)n1 ZINC000085903885 398214788 /nfs/dbraw/zinc/21/47/88/398214788.db2.gz GEEPSHMKVMNTFI-JTQLQIEISA-N 1 2 229.280 0.255 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072989263 343984173 /nfs/dbraw/zinc/98/41/73/343984173.db2.gz KMGGTJBNCAUROA-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072989263 343984174 /nfs/dbraw/zinc/98/41/74/343984174.db2.gz KMGGTJBNCAUROA-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000299695742 398216099 /nfs/dbraw/zinc/21/60/99/398216099.db2.gz WAIGAEDKTJQQPZ-SECBINFHSA-N 1 2 208.265 0.038 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccn1 ZINC000086113959 178149438 /nfs/dbraw/zinc/14/94/38/178149438.db2.gz UVSDWFWBRZTNJS-SNVBAGLBSA-N 1 2 221.260 0.317 20 0 BCADLO Cc1cc(NCCCN2C(=O)CNC2=O)nc[nH+]1 ZINC000301285707 178160567 /nfs/dbraw/zinc/16/05/67/178160567.db2.gz VFSXGOPJHYVKSZ-UHFFFAOYSA-N 1 2 249.274 0.139 20 0 BCADLO Cn1ncc2c1nc(N1CC[C@H](F)C1)[nH+]c2N ZINC000649419727 398220802 /nfs/dbraw/zinc/22/08/02/398220802.db2.gz OWHYAHFVVUMGRI-LURJTMIESA-N 1 2 236.254 0.494 20 0 BCADLO O=C(NC1(CCO)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000576402577 365586811 /nfs/dbraw/zinc/58/68/11/365586811.db2.gz IZZKEVMGUOIFDZ-JTQLQIEISA-N 1 2 249.314 0.477 20 0 BCADLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)ncn1 ZINC000049509203 178179362 /nfs/dbraw/zinc/17/93/62/178179362.db2.gz VEDRWZPGISFHBV-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(N[C@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000336759442 178188946 /nfs/dbraw/zinc/18/89/46/178188946.db2.gz IYORCCCKOCVKCH-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO Cc1cc(N[C@H](CO)c2cnn(C)c2)nc[nH+]1 ZINC000301839960 178187938 /nfs/dbraw/zinc/18/79/38/178187938.db2.gz XTWVVNKQASAITF-SNVBAGLBSA-N 1 2 233.275 0.664 20 0 BCADLO C[C@H](CC(=O)N1CCO[C@H]2C[C@H]21)n1cc[nH+]c1 ZINC000650048982 398226714 /nfs/dbraw/zinc/22/67/14/398226714.db2.gz MNVUGXOPYNIAMF-MXWKQRLJSA-N 1 2 235.287 0.834 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000421405742 192331549 /nfs/dbraw/zinc/33/15/49/192331549.db2.gz GNHIPUSHYVTBGA-NSHDSACASA-N 1 2 227.308 0.282 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C[C@H](O)CO)C(C)C ZINC000421405742 192331550 /nfs/dbraw/zinc/33/15/50/192331550.db2.gz GNHIPUSHYVTBGA-NSHDSACASA-N 1 2 227.308 0.282 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCn1cccc1 ZINC000276514960 538932939 /nfs/dbraw/zinc/93/29/39/538932939.db2.gz YRGUDQFDKHRTTI-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCn1cccc1 ZINC000276514960 538932940 /nfs/dbraw/zinc/93/29/40/538932940.db2.gz YRGUDQFDKHRTTI-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276644065 538932959 /nfs/dbraw/zinc/93/29/59/538932959.db2.gz VKQHFLRCRRZJDD-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276644065 538932960 /nfs/dbraw/zinc/93/29/60/538932960.db2.gz VKQHFLRCRRZJDD-LLVKDONJSA-N 1 2 239.319 0.866 20 0 BCADLO Cc1cc([C@@H](C)NC[C@H]2C[N@H+](C)CCO2)no1 ZINC000282876925 178229040 /nfs/dbraw/zinc/22/90/40/178229040.db2.gz VNKMXVFWWGJOLG-MNOVXSKESA-N 1 2 239.319 0.964 20 0 BCADLO Cc1cc([C@@H](C)NC[C@H]2C[N@@H+](C)CCO2)no1 ZINC000282876925 178229042 /nfs/dbraw/zinc/22/90/42/178229042.db2.gz VNKMXVFWWGJOLG-MNOVXSKESA-N 1 2 239.319 0.964 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421365473 192334200 /nfs/dbraw/zinc/33/42/00/192334200.db2.gz UQKXHCYFSJGEBG-NSHDSACASA-N 1 2 239.319 0.690 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421365473 192334201 /nfs/dbraw/zinc/33/42/01/192334201.db2.gz UQKXHCYFSJGEBG-NSHDSACASA-N 1 2 239.319 0.690 20 0 BCADLO C[C@@H]1OCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000280019112 538936531 /nfs/dbraw/zinc/93/65/31/538936531.db2.gz UBGXAOCJDUVPPA-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H]1OCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000280019112 538936532 /nfs/dbraw/zinc/93/65/32/538936532.db2.gz UBGXAOCJDUVPPA-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO CCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000280208573 538936873 /nfs/dbraw/zinc/93/68/73/538936873.db2.gz IDEGFPDGPHVLIQ-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO CCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000280208573 538936875 /nfs/dbraw/zinc/93/68/75/538936875.db2.gz IDEGFPDGPHVLIQ-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO CO[C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280355450 538936994 /nfs/dbraw/zinc/93/69/94/538936994.db2.gz TZELQIJZSSSBOQ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO CO[C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280355450 538936995 /nfs/dbraw/zinc/93/69/95/538936995.db2.gz TZELQIJZSSSBOQ-SECBINFHSA-N 1 2 225.292 0.884 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)no1 ZINC000290013357 178253902 /nfs/dbraw/zinc/25/39/02/178253902.db2.gz ZPAFPJHOKFPQJF-DTWKUNHWSA-N 1 2 223.276 0.864 20 0 BCADLO Cc1cc([C@H](C)NC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000282876931 178250336 /nfs/dbraw/zinc/25/03/36/178250336.db2.gz VNKMXVFWWGJOLG-WDEREUQCSA-N 1 2 239.319 0.964 20 0 BCADLO Cc1cc([C@H](C)NC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000282876931 178250339 /nfs/dbraw/zinc/25/03/39/178250339.db2.gz VNKMXVFWWGJOLG-WDEREUQCSA-N 1 2 239.319 0.964 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[C@@H]1O ZINC000636725035 349528187 /nfs/dbraw/zinc/52/81/87/349528187.db2.gz BVXOMBKANXKBPK-IUCAKERBSA-N 1 2 238.291 0.133 20 0 BCADLO COC(=O)[C@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000336775561 398239209 /nfs/dbraw/zinc/23/92/09/398239209.db2.gz ZINJLRVGCNERNI-VIFPVBQESA-N 1 2 231.292 0.333 20 0 BCADLO CCn1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000576520759 365617286 /nfs/dbraw/zinc/61/72/86/365617286.db2.gz SCDBBCGDRCIPJA-JTQLQIEISA-N 1 2 247.302 0.918 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cnccn1 ZINC000558891722 398242479 /nfs/dbraw/zinc/24/24/79/398242479.db2.gz DUAILYGVVZXNKS-BJOHPYRUSA-N 1 2 227.333 0.675 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cnccn1 ZINC000558891722 398242480 /nfs/dbraw/zinc/24/24/80/398242480.db2.gz DUAILYGVVZXNKS-BJOHPYRUSA-N 1 2 227.333 0.675 20 0 BCADLO CC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000356343176 398247539 /nfs/dbraw/zinc/24/75/39/398247539.db2.gz MJWBIMCWSMHQCO-ZJUUUORDSA-N 1 2 215.293 0.953 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC[C@@H]1CCCO1 ZINC000291178440 538947549 /nfs/dbraw/zinc/94/75/49/538947549.db2.gz JODKIZZINCSFNZ-NSHDSACASA-N 1 2 237.303 0.996 20 0 BCADLO CCCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000290209551 538946500 /nfs/dbraw/zinc/94/65/00/538946500.db2.gz NQELDYVWADECAV-UHFFFAOYSA-N 1 2 231.321 0.640 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1nncn1C1CC1 ZINC000576733878 365671646 /nfs/dbraw/zinc/67/16/46/365671646.db2.gz VGSYAGBCWMVGPD-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCOC1 ZINC000291268025 538947156 /nfs/dbraw/zinc/94/71/56/538947156.db2.gz PZXGCVYQWPZCEE-SECBINFHSA-N 1 2 223.276 0.463 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@](C)(O)C1CC1 ZINC000291178611 538947167 /nfs/dbraw/zinc/94/71/67/538947167.db2.gz JOELOSMTRGECOV-LBPRGKRZSA-N 1 2 237.303 0.587 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)COC(C)(C)C ZINC000291328063 538947798 /nfs/dbraw/zinc/94/77/98/538947798.db2.gz VHNQPKYPDKBSCJ-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1(O)CCCC1 ZINC000291201800 538947276 /nfs/dbraw/zinc/94/72/76/538947276.db2.gz LGPNLZZUSDJADS-UHFFFAOYSA-N 1 2 223.276 0.341 20 0 BCADLO COC[C@@]1(C)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000381480516 398259342 /nfs/dbraw/zinc/25/93/42/398259342.db2.gz NQIBSLFHKGPQOX-NSHDSACASA-N 1 2 237.307 0.455 20 0 BCADLO COC[C@@]1(C)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000381480516 398259345 /nfs/dbraw/zinc/25/93/45/398259345.db2.gz NQIBSLFHKGPQOX-NSHDSACASA-N 1 2 237.307 0.455 20 0 BCADLO COc1cncc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000291398614 538947437 /nfs/dbraw/zinc/94/74/37/538947437.db2.gz IKDQYLWVXKXXAO-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH+]cn2C)nn1 ZINC000291516416 538947898 /nfs/dbraw/zinc/94/78/98/538947898.db2.gz UPNXRVCJBFERGH-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO CC[C@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000291512218 538948003 /nfs/dbraw/zinc/94/80/03/538948003.db2.gz UDEIFSFDPDIBDS-WDEREUQCSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCCO1 ZINC000291472421 538948277 /nfs/dbraw/zinc/94/82/77/538948277.db2.gz PHKQUTMEBSWYAK-JTQLQIEISA-N 1 2 223.276 0.605 20 0 BCADLO COC(=O)CN(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602443403 349543840 /nfs/dbraw/zinc/54/38/40/349543840.db2.gz UUVSKQCAEWMYDS-LLVKDONJSA-N 1 2 237.303 0.976 20 0 BCADLO CC(C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000576765646 365680187 /nfs/dbraw/zinc/68/01/87/365680187.db2.gz WVUCXWCINWXPSL-UHFFFAOYSA-N 1 2 210.281 0.242 20 0 BCADLO CC(C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000576765646 365680193 /nfs/dbraw/zinc/68/01/93/365680193.db2.gz WVUCXWCINWXPSL-UHFFFAOYSA-N 1 2 210.281 0.242 20 0 BCADLO CCn1cc(C[NH2+]Cc2cncnc2OC)cn1 ZINC000647184432 398266738 /nfs/dbraw/zinc/26/67/38/398266738.db2.gz FZNQFLBUMJWVFQ-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO COC[C@]1(C)CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000626176405 346823864 /nfs/dbraw/zinc/82/38/64/346823864.db2.gz MTPRRWLZWKCVIR-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COCCN1CC[C@@H]([NH2+]CC(C)(F)F)C1 ZINC000378774558 346831507 /nfs/dbraw/zinc/83/15/07/346831507.db2.gz HEIPHTOGEOAMMJ-SECBINFHSA-N 1 2 222.279 0.952 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+]CC(C)(F)F ZINC000378799725 346837118 /nfs/dbraw/zinc/83/71/18/346837118.db2.gz SYWNPNAVSBVDLZ-LURJTMIESA-N 1 2 215.265 0.664 20 0 BCADLO Cc1c[nH]c(CN2CCS(=O)CC2)[nH+]1 ZINC000600117293 342674122 /nfs/dbraw/zinc/67/41/22/342674122.db2.gz LAHPFKVUMUBJQT-UHFFFAOYSA-N 1 2 213.306 0.282 20 0 BCADLO NC(=O)C1([NH2+]Cc2noc3c2CCCC3)CC1 ZINC000181727291 538961248 /nfs/dbraw/zinc/96/12/48/538961248.db2.gz KZHOWZJGWFPARD-UHFFFAOYSA-N 1 2 235.287 0.661 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cncs1 ZINC000189095212 346857609 /nfs/dbraw/zinc/85/76/09/346857609.db2.gz PRCDWZUMBMTJHX-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cncs1 ZINC000189095212 346857612 /nfs/dbraw/zinc/85/76/12/346857612.db2.gz PRCDWZUMBMTJHX-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO Cc1c[nH]c(CN2CC[S@@](=O)C[C@@H](C)C2)[nH+]1 ZINC000600151622 342691607 /nfs/dbraw/zinc/69/16/07/342691607.db2.gz PKDDZMPBCWJSGA-XXFAHNHDSA-N 1 2 241.360 0.919 20 0 BCADLO COC(=O)CC1CC([NH2+]Cc2c[nH]nn2)C1 ZINC000600177495 342696497 /nfs/dbraw/zinc/69/64/97/342696497.db2.gz RPWRTXMMWFKMBE-UHFFFAOYSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)CC1CC([NH2+]Cc2cn[nH]n2)C1 ZINC000600177495 342696499 /nfs/dbraw/zinc/69/64/99/342696499.db2.gz RPWRTXMMWFKMBE-UHFFFAOYSA-N 1 2 224.264 0.236 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000353872386 398279046 /nfs/dbraw/zinc/27/90/46/398279046.db2.gz VJDZHGCGKRUWFG-QMMMGPOBSA-N 1 2 229.305 0.029 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000353872386 398279048 /nfs/dbraw/zinc/27/90/48/398279048.db2.gz VJDZHGCGKRUWFG-QMMMGPOBSA-N 1 2 229.305 0.029 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000035738053 342757790 /nfs/dbraw/zinc/75/77/90/342757790.db2.gz JWLUDZMEQJOAMY-SSDOTTSWSA-N 1 2 212.278 0.021 20 0 BCADLO Cc1noc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000054677686 398282431 /nfs/dbraw/zinc/28/24/31/398282431.db2.gz YENVBHGRVHEAFL-MRVPVSSYSA-N 1 2 224.264 0.043 20 0 BCADLO Cc1noc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000054677686 398282434 /nfs/dbraw/zinc/28/24/34/398282434.db2.gz YENVBHGRVHEAFL-MRVPVSSYSA-N 1 2 224.264 0.043 20 0 BCADLO Cc1nn(C)c(C)c1C[NH+]1CC(C)(O)C1 ZINC000639254217 398285783 /nfs/dbraw/zinc/28/57/83/398285783.db2.gz OLRLENIYZGNESZ-UHFFFAOYSA-N 1 2 209.293 0.604 20 0 BCADLO Cc1c[nH+]ccc1CCN1CCS(=O)CC1 ZINC000335437672 398287569 /nfs/dbraw/zinc/28/75/69/398287569.db2.gz VSJFYMVEWWXPKW-UHFFFAOYSA-N 1 2 238.356 0.997 20 0 BCADLO Cc1cnccc1CC[NH+]1CCS(=O)CC1 ZINC000335437672 398287570 /nfs/dbraw/zinc/28/75/70/398287570.db2.gz VSJFYMVEWWXPKW-UHFFFAOYSA-N 1 2 238.356 0.997 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348809441 136239033 /nfs/dbraw/zinc/23/90/33/136239033.db2.gz OPNWPRJQLKVBJO-WDEREUQCSA-N 1 2 242.367 0.330 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348809441 136239034 /nfs/dbraw/zinc/23/90/34/136239034.db2.gz OPNWPRJQLKVBJO-WDEREUQCSA-N 1 2 242.367 0.330 20 0 BCADLO CCc1cc(N[C@H](C)C(=O)N(C)C)nc[nH+]1 ZINC000042571931 538978222 /nfs/dbraw/zinc/97/82/22/538978222.db2.gz RIHMPHAWSQSSGG-MRVPVSSYSA-N 1 2 222.292 0.928 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1C[C@@H](O)C1 ZINC000624666163 342813423 /nfs/dbraw/zinc/81/34/23/342813423.db2.gz OERADPWQJMIGNZ-OCAPTIKFSA-N 1 2 233.275 0.546 20 0 BCADLO CC(C)CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624731792 342823561 /nfs/dbraw/zinc/82/35/61/342823561.db2.gz HCEVGJQEXPVOOL-LLVKDONJSA-N 1 2 243.351 0.614 20 0 BCADLO CC(C)CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624731792 342823562 /nfs/dbraw/zinc/82/35/62/342823562.db2.gz HCEVGJQEXPVOOL-LLVKDONJSA-N 1 2 243.351 0.614 20 0 BCADLO CCCCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624742296 342824587 /nfs/dbraw/zinc/82/45/87/342824587.db2.gz HNJRTOGNDFQSQB-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CCCCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624742296 342824588 /nfs/dbraw/zinc/82/45/88/342824588.db2.gz HNJRTOGNDFQSQB-NSHDSACASA-N 1 2 243.351 0.759 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC2CC2)[C@H](C)C1 ZINC000336435749 342805756 /nfs/dbraw/zinc/80/57/56/342805756.db2.gz KVFCCXNBOPNZQG-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC2CC2)[C@H](C)C1 ZINC000336435749 342805757 /nfs/dbraw/zinc/80/57/57/342805757.db2.gz KVFCCXNBOPNZQG-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000496293721 529396024 /nfs/dbraw/zinc/39/60/24/529396024.db2.gz MWSOQCZMNAZSQH-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000496293721 529396025 /nfs/dbraw/zinc/39/60/25/529396025.db2.gz MWSOQCZMNAZSQH-NXEZZACHSA-N 1 2 228.292 0.548 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]1O ZINC000634415441 361935587 /nfs/dbraw/zinc/93/55/87/361935587.db2.gz TVZDODCRKNCTQZ-LSJOCFKGSA-N 1 2 237.303 0.618 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]1O ZINC000634415441 361935594 /nfs/dbraw/zinc/93/55/94/361935594.db2.gz TVZDODCRKNCTQZ-LSJOCFKGSA-N 1 2 237.303 0.618 20 0 BCADLO CN(C)c1noc(C[NH2+][C@H]2CCCOC2)n1 ZINC000191898738 538993446 /nfs/dbraw/zinc/99/34/46/538993446.db2.gz NDIJKEHEYJQSNW-QMMMGPOBSA-N 1 2 226.280 0.404 20 0 BCADLO Cc1nc(N2CC3(C2)CCCO3)nc(N(C)C)[nH+]1 ZINC000624543225 344005405 /nfs/dbraw/zinc/00/54/05/344005405.db2.gz SEGGMCFFXNAJQS-UHFFFAOYSA-N 1 2 249.318 0.615 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC3(C2)CCCO3)[nH+]1 ZINC000624543225 344005406 /nfs/dbraw/zinc/00/54/06/344005406.db2.gz SEGGMCFFXNAJQS-UHFFFAOYSA-N 1 2 249.318 0.615 20 0 BCADLO Cc1nc(NC[C@H]2CCCC(=O)N2)cc[nH+]1 ZINC000381353773 538998784 /nfs/dbraw/zinc/99/87/84/538998784.db2.gz CKQUINVFMGSVHX-SECBINFHSA-N 1 2 220.276 0.288 20 0 BCADLO COc1ccc(NCc2ncnn2C)[nH+]c1 ZINC000381429306 539000354 /nfs/dbraw/zinc/00/03/54/539000354.db2.gz BASXPSSOCJQFHX-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO Nc1ccnc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000390299096 539020808 /nfs/dbraw/zinc/02/08/08/539020808.db2.gz BVGVUACZTXWEQS-ZETCQYMHSA-N 1 2 228.246 0.976 20 0 BCADLO Nc1ccnc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000390299096 539020810 /nfs/dbraw/zinc/02/08/10/539020810.db2.gz BVGVUACZTXWEQS-ZETCQYMHSA-N 1 2 228.246 0.976 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1nc[nH+]c(N)c1Cl ZINC000649502211 398297259 /nfs/dbraw/zinc/29/72/59/398297259.db2.gz SKNMEJYSIPZICA-PHDIDXHHSA-N 1 2 228.683 0.672 20 0 BCADLO CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387918608 539014663 /nfs/dbraw/zinc/01/46/63/539014663.db2.gz OQTFVYSIUYQDQH-ZJUUUORDSA-N 1 2 239.323 0.286 20 0 BCADLO CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387918608 539014664 /nfs/dbraw/zinc/01/46/64/539014664.db2.gz OQTFVYSIUYQDQH-ZJUUUORDSA-N 1 2 239.323 0.286 20 0 BCADLO Cn1cc(CNc2[nH+]cnc3c2cnn3C)nn1 ZINC000389837750 539017411 /nfs/dbraw/zinc/01/74/11/539017411.db2.gz RECXICLPFZHMGG-UHFFFAOYSA-N 1 2 244.262 0.104 20 0 BCADLO CCOCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000640754548 361992668 /nfs/dbraw/zinc/99/26/68/361992668.db2.gz KXROHXPVGKNQHB-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCOCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640754548 361992674 /nfs/dbraw/zinc/99/26/74/361992674.db2.gz KXROHXPVGKNQHB-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCC(=O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755222 361993353 /nfs/dbraw/zinc/99/33/53/361993353.db2.gz VVCWQXUOJFWBDK-UHFFFAOYSA-N 1 2 205.221 0.642 20 0 BCADLO C[C@H](O)CCCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755257 361993567 /nfs/dbraw/zinc/99/35/67/361993567.db2.gz VZPIXVMCYQQQOD-VIFPVBQESA-N 1 2 235.291 0.753 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000335645128 136243317 /nfs/dbraw/zinc/24/33/17/136243317.db2.gz ACLWPAHEAFKLFL-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000335645128 136243318 /nfs/dbraw/zinc/24/33/18/136243318.db2.gz ACLWPAHEAFKLFL-KOLCDFICSA-N 1 2 211.261 0.861 20 0 BCADLO O=C1CC[N@H+](Cc2cc3n(n2)CCCC3)CCN1 ZINC000649508734 398301529 /nfs/dbraw/zinc/30/15/29/398301529.db2.gz DDRZERIJIOIZSJ-UHFFFAOYSA-N 1 2 248.330 0.541 20 0 BCADLO O=C1CC[N@@H+](Cc2cc3n(n2)CCCC3)CCN1 ZINC000649508734 398301531 /nfs/dbraw/zinc/30/15/31/398301531.db2.gz DDRZERIJIOIZSJ-UHFFFAOYSA-N 1 2 248.330 0.541 20 0 BCADLO O=C1CC[N@H+](Cc2cc3n(n2)CCC3)CCN1 ZINC000649509179 398301638 /nfs/dbraw/zinc/30/16/38/398301638.db2.gz RBLGGLHQFDJZLL-UHFFFAOYSA-N 1 2 234.303 0.151 20 0 BCADLO O=C1CC[N@@H+](Cc2cc3n(n2)CCC3)CCN1 ZINC000649509179 398301641 /nfs/dbraw/zinc/30/16/41/398301641.db2.gz RBLGGLHQFDJZLL-UHFFFAOYSA-N 1 2 234.303 0.151 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](C)CC(N)=O)cc[nH+]1 ZINC000348857644 136242528 /nfs/dbraw/zinc/24/25/28/136242528.db2.gz CMZJJWNHDIUBGC-QMMMGPOBSA-N 1 2 236.275 0.197 20 0 BCADLO CCNC(=O)C[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625088972 342850763 /nfs/dbraw/zinc/85/07/63/342850763.db2.gz LPVHWZPRHZNIKW-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CCNC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625088972 342850765 /nfs/dbraw/zinc/85/07/65/342850765.db2.gz LPVHWZPRHZNIKW-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2n[nH]c(=O)s2)C1 ZINC000367062210 136242675 /nfs/dbraw/zinc/24/26/75/136242675.db2.gz KWXRGDSYHHGUEA-SSDOTTSWSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2n[nH]c(=O)s2)C1 ZINC000367062210 136242676 /nfs/dbraw/zinc/24/26/76/136242676.db2.gz KWXRGDSYHHGUEA-SSDOTTSWSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@H]1COCC[N@H+](CC2N=NC(=O)S2)C1 ZINC000367062210 136242677 /nfs/dbraw/zinc/24/26/77/136242677.db2.gz KWXRGDSYHHGUEA-SSDOTTSWSA-N 1 2 229.305 0.712 20 0 BCADLO C[C@H]1COCC[N@@H+](CC2N=NC(=O)S2)C1 ZINC000367062210 136242678 /nfs/dbraw/zinc/24/26/78/136242678.db2.gz KWXRGDSYHHGUEA-SSDOTTSWSA-N 1 2 229.305 0.712 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000014191851 342877767 /nfs/dbraw/zinc/87/77/67/342877767.db2.gz VHJXLWFWPWRETD-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000014191851 342877768 /nfs/dbraw/zinc/87/77/68/342877768.db2.gz VHJXLWFWPWRETD-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CCC[C@@](C)([NH2+]CCOCCO)C(=O)OC ZINC000133043450 398309390 /nfs/dbraw/zinc/30/93/90/398309390.db2.gz WAHBMQZDBUMTLE-LLVKDONJSA-N 1 2 233.308 0.317 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCC1 ZINC000336343724 398318068 /nfs/dbraw/zinc/31/80/68/398318068.db2.gz HOUBZKTYCQMCKY-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCC1 ZINC000336343724 398318071 /nfs/dbraw/zinc/31/80/71/398318071.db2.gz HOUBZKTYCQMCKY-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO Cn1cc[nH+]c1CN1CC[S@@](=O)CC1(C)C ZINC000336343260 398318245 /nfs/dbraw/zinc/31/82/45/398318245.db2.gz RJXOZCAMHWECBJ-MRXNPFEDSA-N 1 2 241.360 0.763 20 0 BCADLO Cc1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000309004597 342880615 /nfs/dbraw/zinc/88/06/15/342880615.db2.gz MQTLQXLXYIGZRE-QMMMGPOBSA-N 1 2 206.249 0.428 20 0 BCADLO OCC[NH+](CCO)Cc1cc(O)ccc1Cl ZINC000625134870 342885907 /nfs/dbraw/zinc/88/59/07/342885907.db2.gz HBWJCOZXAMDKHI-UHFFFAOYSA-N 1 2 245.706 0.832 20 0 BCADLO CNc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000628035713 342888653 /nfs/dbraw/zinc/88/86/53/342888653.db2.gz ZXELCFMXURUWOC-UHFFFAOYSA-N 1 2 246.274 0.514 20 0 BCADLO CNc1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000628035713 342888655 /nfs/dbraw/zinc/88/86/55/342888655.db2.gz ZXELCFMXURUWOC-UHFFFAOYSA-N 1 2 246.274 0.514 20 0 BCADLO C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000035606913 342889956 /nfs/dbraw/zinc/88/99/56/342889956.db2.gz WBHJAERHKOXOLU-LURJTMIESA-N 1 2 207.237 0.156 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccnc2C)C1 ZINC000336084696 398315046 /nfs/dbraw/zinc/31/50/46/398315046.db2.gz YNLVZJFTXHTTOH-UHFFFAOYSA-N 1 2 219.288 0.710 20 0 BCADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143676 342893180 /nfs/dbraw/zinc/89/31/80/342893180.db2.gz ZNJIKCWWVXEVRG-YUMQZZPRSA-N 1 2 245.304 0.007 20 0 BCADLO CCOC(=O)COCC[NH2+]C(C)(C)C(=O)OC ZINC000351478962 136246179 /nfs/dbraw/zinc/24/61/79/136246179.db2.gz QDNLTSIZTFDJJP-UHFFFAOYSA-N 1 2 247.291 0.107 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352660853 398323451 /nfs/dbraw/zinc/32/34/51/398323451.db2.gz PQZWOIGKBWJZBO-VHSXEESVSA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352660853 398323454 /nfs/dbraw/zinc/32/34/54/398323454.db2.gz PQZWOIGKBWJZBO-VHSXEESVSA-N 1 2 239.323 0.599 20 0 BCADLO C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]n3)C2)CC1 ZINC000639756431 398326066 /nfs/dbraw/zinc/32/60/66/398326066.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 1 2 235.335 0.722 20 0 BCADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233904255 342916217 /nfs/dbraw/zinc/91/62/17/342916217.db2.gz UZNMFLBBWCYIKG-RKDXNWHRSA-N 1 2 201.266 0.299 20 0 BCADLO CSCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000588339414 342920810 /nfs/dbraw/zinc/92/08/10/342920810.db2.gz MTCWWRZFNAXHLD-UHFFFAOYSA-N 1 2 213.306 0.822 20 0 BCADLO COC[C@@H]([NH2+]CCC1CCOCC1)C(=O)OC ZINC000602635169 349650682 /nfs/dbraw/zinc/65/06/82/349650682.db2.gz PSYZFWGEEJDQDS-LLVKDONJSA-N 1 2 245.319 0.581 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602641436 349653722 /nfs/dbraw/zinc/65/37/22/349653722.db2.gz BAYVYKAZGUPNCQ-QMMMGPOBSA-N 1 2 224.260 0.781 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602641436 349653725 /nfs/dbraw/zinc/65/37/25/349653725.db2.gz BAYVYKAZGUPNCQ-QMMMGPOBSA-N 1 2 224.260 0.781 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497070020 529437355 /nfs/dbraw/zinc/43/73/55/529437355.db2.gz FAHMBUKEOGZMDR-IUCAKERBSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@H](F)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497070020 529437357 /nfs/dbraw/zinc/43/73/57/529437357.db2.gz FAHMBUKEOGZMDR-IUCAKERBSA-N 1 2 216.256 0.871 20 0 BCADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)NC ZINC000493634492 529456748 /nfs/dbraw/zinc/45/67/48/529456748.db2.gz SNVMRLVQJUHNMH-ZJELKQJVSA-N 1 2 236.275 0.064 20 0 BCADLO O=C(c1cncc(O)c1)N1CC[NH+](C2CC2)CC1 ZINC000111739284 398332207 /nfs/dbraw/zinc/33/22/07/398332207.db2.gz SGHUMTZAEIQDHS-UHFFFAOYSA-N 1 2 247.298 0.707 20 0 BCADLO C[NH+](C)CCN1N=C2c3ccccc3C[C@H]2C1=O ZINC000634589865 342937162 /nfs/dbraw/zinc/93/71/62/342937162.db2.gz KFKVBZJXMRKIIC-GFCCVEGCSA-N 1 2 243.310 0.967 20 0 BCADLO CC[C@@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493404614 529463797 /nfs/dbraw/zinc/46/37/97/529463797.db2.gz WMJJYDACZJAUOK-XOULXFPDSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)c1cc(C[NH+]2CC(C)(O)C2)c[nH]1 ZINC000602688618 349679506 /nfs/dbraw/zinc/67/95/06/349679506.db2.gz MEULRWISSOWLKA-UHFFFAOYSA-N 1 2 224.260 0.368 20 0 BCADLO O=c1c2c([nH]n1-c1ccncc1)CC[NH2+]C2 ZINC000634591585 342942377 /nfs/dbraw/zinc/94/23/77/342942377.db2.gz HPZRTHYMAFWQQT-SECBINFHSA-N 1 2 216.244 0.394 20 0 BCADLO Cc1nn(-c2cc(C)[nH+]c(C)n2)c2c1C(=O)NC2 ZINC000634591874 342943736 /nfs/dbraw/zinc/94/37/36/342943736.db2.gz QVKYZFRBLPKZOO-UHFFFAOYSA-N 1 2 243.270 0.831 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000169798145 398342544 /nfs/dbraw/zinc/34/25/44/398342544.db2.gz XDMVYGVMKWDWJY-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@@H+]2C)nc1C ZINC000095978527 398345030 /nfs/dbraw/zinc/34/50/30/398345030.db2.gz CNESHNWMQNISCR-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cnc(NC[C@H]2CN(C)CC[N@H+]2C)nc1C ZINC000095978527 398345031 /nfs/dbraw/zinc/34/50/31/398345031.db2.gz CNESHNWMQNISCR-LBPRGKRZSA-N 1 2 249.362 0.751 20 0 BCADLO CC[C@H](NC(=O)CNC(=O)OC)c1[nH]cc[nH+]1 ZINC000495381759 529477532 /nfs/dbraw/zinc/47/75/32/529477532.db2.gz DRRXNJHIGJZHEG-ZETCQYMHSA-N 1 2 240.263 0.333 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1nccs1 ZINC000683537727 488190389 /nfs/dbraw/zinc/19/03/89/488190389.db2.gz FSHBYZJROVULKF-UHFFFAOYSA-N 1 2 222.273 0.770 20 0 BCADLO Cc1ncc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000351817413 136255029 /nfs/dbraw/zinc/25/50/29/136255029.db2.gz ALJYKHYNRAOVBB-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1ncc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000351817413 136255030 /nfs/dbraw/zinc/25/50/30/136255030.db2.gz ALJYKHYNRAOVBB-JOYOIKCWSA-N 1 2 248.330 0.871 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351815232 136255234 /nfs/dbraw/zinc/25/52/34/136255234.db2.gz VSIRILQWARKHOO-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351815232 136255235 /nfs/dbraw/zinc/25/52/35/136255235.db2.gz VSIRILQWARKHOO-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO C[C@H]1C[C@@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000351803245 136253702 /nfs/dbraw/zinc/25/37/02/136253702.db2.gz NIYINBHSKBJYQC-WDEREUQCSA-N 1 2 226.320 0.481 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000351782324 136254053 /nfs/dbraw/zinc/25/40/53/136254053.db2.gz PYDXMTBIWYEISX-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000351782324 136254054 /nfs/dbraw/zinc/25/40/54/136254054.db2.gz PYDXMTBIWYEISX-GZMMTYOYSA-N 1 2 226.276 0.565 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(CCO)CC1 ZINC000492941223 529552859 /nfs/dbraw/zinc/55/28/59/529552859.db2.gz OQYVQAHDBNHWSR-ONEGZZNKSA-N 1 2 249.314 0.947 20 0 BCADLO CCOC(=O)c1ccc(C[NH2+]Cc2cnn[nH]2)[nH]1 ZINC000602713502 349705654 /nfs/dbraw/zinc/70/56/54/349705654.db2.gz CKOPTEROXBOTMM-UHFFFAOYSA-N 1 2 249.274 0.599 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ncn(C)n1 ZINC000493254390 529561660 /nfs/dbraw/zinc/56/16/60/529561660.db2.gz JFTQEPYAIXUCJN-PLNGDYQASA-N 1 2 246.274 0.683 20 0 BCADLO O=c1c2c([nH]n1CCc1ccncc1)CC[NH2+]C2 ZINC000634599199 342987721 /nfs/dbraw/zinc/98/77/21/342987721.db2.gz CVJHWGHPIBZSOZ-LLVKDONJSA-N 1 2 244.298 0.432 20 0 BCADLO COC(=O)C1([N@H+](C)CC(C)=O)CCCC1 ZINC000602794590 349736435 /nfs/dbraw/zinc/73/64/35/349736435.db2.gz IOYHNJGJQISKHX-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)C1([N@@H+](C)CC(C)=O)CCCC1 ZINC000602794590 349736438 /nfs/dbraw/zinc/73/64/38/349736438.db2.gz IOYHNJGJQISKHX-UHFFFAOYSA-N 1 2 213.277 0.993 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2CCO[C@@H]2C)CCOC1 ZINC000602797645 349738697 /nfs/dbraw/zinc/73/86/97/349738697.db2.gz LBAXUOYBWPGGCP-FOGDFJRCSA-N 1 2 243.303 0.333 20 0 BCADLO COC(=O)[C@]1([NH2+]C[C@H]2CCO[C@H]2C)CCOC1 ZINC000602797651 349738702 /nfs/dbraw/zinc/73/87/02/349738702.db2.gz LBAXUOYBWPGGCP-UMNHJUIQSA-N 1 2 243.303 0.333 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000602760614 349732526 /nfs/dbraw/zinc/73/25/26/349732526.db2.gz YNKJKAQEUHQXDB-LLVKDONJSA-N 1 2 239.319 0.817 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000602760614 349732529 /nfs/dbraw/zinc/73/25/29/349732529.db2.gz YNKJKAQEUHQXDB-LLVKDONJSA-N 1 2 239.319 0.817 20 0 BCADLO CCN(C#N)CC[N@H+](CC)CC(=O)N(C)C ZINC000602762421 349733420 /nfs/dbraw/zinc/73/34/20/349733420.db2.gz IEXJTFXHRBRMJW-UHFFFAOYSA-N 1 2 226.324 0.199 20 0 BCADLO CCN(C#N)CC[N@@H+](CC)CC(=O)N(C)C ZINC000602762421 349733423 /nfs/dbraw/zinc/73/34/23/349733423.db2.gz IEXJTFXHRBRMJW-UHFFFAOYSA-N 1 2 226.324 0.199 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000602764375 349734348 /nfs/dbraw/zinc/73/43/48/349734348.db2.gz AMWQLJPPTGKEHT-WDEREUQCSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000602764375 349734351 /nfs/dbraw/zinc/73/43/51/349734351.db2.gz AMWQLJPPTGKEHT-WDEREUQCSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000602819632 349761191 /nfs/dbraw/zinc/76/11/91/349761191.db2.gz QQXSVJRYNBUDGO-UHFFFAOYSA-N 1 2 247.302 0.343 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000602819632 349761196 /nfs/dbraw/zinc/76/11/96/349761196.db2.gz QQXSVJRYNBUDGO-UHFFFAOYSA-N 1 2 247.302 0.343 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000046061673 343015484 /nfs/dbraw/zinc/01/54/84/343015484.db2.gz WJSPIQQBAFAZFN-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000046061673 343015485 /nfs/dbraw/zinc/01/54/85/343015485.db2.gz WJSPIQQBAFAZFN-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncnn1C ZINC000518365162 259340411 /nfs/dbraw/zinc/34/04/11/259340411.db2.gz CEPCCTDPLKNOBV-NTSWFWBYSA-N 1 2 238.213 0.389 20 0 BCADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000602809634 349753540 /nfs/dbraw/zinc/75/35/40/349753540.db2.gz AYIJGPRBNOVHCO-QWRGUYRKSA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000602809634 349753543 /nfs/dbraw/zinc/75/35/43/349753543.db2.gz AYIJGPRBNOVHCO-QWRGUYRKSA-N 1 2 238.335 0.375 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000602809177 349753557 /nfs/dbraw/zinc/75/35/57/349753557.db2.gz NUIATVLUFYYLPI-QMMMGPOBSA-N 1 2 223.280 0.832 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000602810800 349754301 /nfs/dbraw/zinc/75/43/01/349754301.db2.gz NWOKDFOGDAZLHV-RYUDHWBXSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000602810800 349754305 /nfs/dbraw/zinc/75/43/05/349754305.db2.gz NWOKDFOGDAZLHV-RYUDHWBXSA-N 1 2 241.335 0.261 20 0 BCADLO CCN(C#N)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000602814649 349756810 /nfs/dbraw/zinc/75/68/10/349756810.db2.gz LPWXJHAERKEXPS-VIFPVBQESA-N 1 2 222.296 0.269 20 0 BCADLO COC(=O)[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC000602815775 349757848 /nfs/dbraw/zinc/75/78/48/349757848.db2.gz RTQUXXKPMCMOKR-NSHDSACASA-N 1 2 236.271 0.828 20 0 BCADLO C[C@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(F)(F)F ZINC000634631553 343041842 /nfs/dbraw/zinc/04/18/42/343041842.db2.gz XECASFKHMGGXBR-WDSKDSINSA-N 1 2 235.209 0.745 20 0 BCADLO CCN(C#N)CCN1CCn2c[nH+]cc2C1 ZINC000602837172 349776177 /nfs/dbraw/zinc/77/61/77/349776177.db2.gz KSHGIZDYVHIHRT-UHFFFAOYSA-N 1 2 219.292 0.502 20 0 BCADLO C[C@@H](c1ccncc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627093 343036808 /nfs/dbraw/zinc/03/68/08/343036808.db2.gz VOGNWSNYBOOIBG-GXSJLCMTSA-N 1 2 244.298 0.950 20 0 BCADLO CCCN(C(=O)[C@H]1COCC[N@@H+]1C)C(C)C ZINC000582130081 346921584 /nfs/dbraw/zinc/92/15/84/346921584.db2.gz PPZHCIOFUPZBFJ-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CCCN(C(=O)[C@H]1COCC[N@H+]1C)C(C)C ZINC000582130081 346921587 /nfs/dbraw/zinc/92/15/87/346921587.db2.gz PPZHCIOFUPZBFJ-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO C[C@@](O)(C[C@@H](O)Cn1cc[nH+]c1)C1CC1 ZINC000634636951 343050194 /nfs/dbraw/zinc/05/01/94/343050194.db2.gz MSJSXALDBAHQAP-GHMZBOCLSA-N 1 2 210.277 0.795 20 0 BCADLO C[C@@](O)(C[C@H](O)Cn1cc[nH+]c1)C1CC1 ZINC000634636954 343050524 /nfs/dbraw/zinc/05/05/24/343050524.db2.gz MSJSXALDBAHQAP-WDEREUQCSA-N 1 2 210.277 0.795 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060872 343057198 /nfs/dbraw/zinc/05/71/98/343057198.db2.gz IIRDAJITNPMJHD-SNVBAGLBSA-N 1 2 211.265 0.223 20 0 BCADLO Cc1csc(C[NH2+]CC(=O)N(C)C)n1 ZINC000038091621 343062249 /nfs/dbraw/zinc/06/22/49/343062249.db2.gz IHBWYLUSPXTKGY-UHFFFAOYSA-N 1 2 213.306 0.629 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccns1 ZINC000602885560 349793356 /nfs/dbraw/zinc/79/33/56/349793356.db2.gz YCRFEYIAGWXEQL-ZCFIWIBFSA-N 1 2 242.304 0.158 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccns1 ZINC000602885560 349793358 /nfs/dbraw/zinc/79/33/58/349793358.db2.gz YCRFEYIAGWXEQL-ZCFIWIBFSA-N 1 2 242.304 0.158 20 0 BCADLO CC(C)=CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640846241 362064909 /nfs/dbraw/zinc/06/49/09/362064909.db2.gz LVAASIVUSQMLIR-NSHDSACASA-N 1 2 222.292 0.905 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1CC1CCC1 ZINC000640947731 362094364 /nfs/dbraw/zinc/09/43/64/362094364.db2.gz OTGRBANLQBRXIP-LLVKDONJSA-N 1 2 222.292 0.739 20 0 BCADLO c1c([C@@H]2COCC[NH2+]2)nnn1CC1CCC1 ZINC000640947732 362094421 /nfs/dbraw/zinc/09/44/21/362094421.db2.gz OTGRBANLQBRXIP-NSHDSACASA-N 1 2 222.292 0.739 20 0 BCADLO CCOCc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953485 362096562 /nfs/dbraw/zinc/09/65/62/362096562.db2.gz LFWSGKUJUNTABT-UHFFFAOYSA-N 1 2 221.264 0.596 20 0 BCADLO C[C@@H](CF)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631137252 343146230 /nfs/dbraw/zinc/14/62/30/343146230.db2.gz YDVQUZJETJGBGD-VHSXEESVSA-N 1 2 242.298 0.762 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576955425 365732452 /nfs/dbraw/zinc/73/24/52/365732452.db2.gz CVYWPPBXFGNVPT-BBBLOLIVSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576955425 365732455 /nfs/dbraw/zinc/73/24/55/365732455.db2.gz CVYWPPBXFGNVPT-BBBLOLIVSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000576955424 365732519 /nfs/dbraw/zinc/73/25/19/365732519.db2.gz CVYWPPBXFGNVPT-AEJSXWLSSA-N 1 2 239.319 0.864 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000576955424 365732523 /nfs/dbraw/zinc/73/25/23/365732523.db2.gz CVYWPPBXFGNVPT-AEJSXWLSSA-N 1 2 239.319 0.864 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000408032377 136272700 /nfs/dbraw/zinc/27/27/00/136272700.db2.gz WDVGICWGOBWIOQ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000408032377 136272701 /nfs/dbraw/zinc/27/27/01/136272701.db2.gz WDVGICWGOBWIOQ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO COc1c(N)[nH+]cnc1NCCCn1cccn1 ZINC000128301873 343174417 /nfs/dbraw/zinc/17/44/17/343174417.db2.gz VQTPJTFIMPZHBL-UHFFFAOYSA-N 1 2 248.290 0.766 20 0 BCADLO COc1c(N)nc[nH+]c1NCCCn1cccn1 ZINC000128301873 343174419 /nfs/dbraw/zinc/17/44/19/343174419.db2.gz VQTPJTFIMPZHBL-UHFFFAOYSA-N 1 2 248.290 0.766 20 0 BCADLO Cc1cc(N[C@@H]2C(=O)NCC[C@H]2C)nc[nH+]1 ZINC000309830542 136275180 /nfs/dbraw/zinc/27/51/80/136275180.db2.gz YLDCUMPLZBOJTQ-XCBNKYQSSA-N 1 2 220.276 0.722 20 0 BCADLO O=C(NCCCCO)c1ccc2[nH+]ccn2c1 ZINC000194988643 136276060 /nfs/dbraw/zinc/27/60/60/136276060.db2.gz MSFNUEKNQXERMB-UHFFFAOYSA-N 1 2 233.271 0.837 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000332839999 343216469 /nfs/dbraw/zinc/21/64/69/343216469.db2.gz CAVXYSZWKRILSW-BBBLOLIVSA-N 1 2 249.314 0.808 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000332839999 343216471 /nfs/dbraw/zinc/21/64/71/343216471.db2.gz CAVXYSZWKRILSW-BBBLOLIVSA-N 1 2 249.314 0.808 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1ccnn1C ZINC000134889267 343191693 /nfs/dbraw/zinc/19/16/93/343191693.db2.gz CDIOLUOONAELIK-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1ccnn1C ZINC000134889267 343191695 /nfs/dbraw/zinc/19/16/95/343191695.db2.gz CDIOLUOONAELIK-UHFFFAOYSA-N 1 2 234.263 0.413 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](O)C1CC1 ZINC000134889113 343191759 /nfs/dbraw/zinc/19/17/59/343191759.db2.gz HXMZPTVODSWCKA-SSDOTTSWSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](O)C1CC1 ZINC000134889113 343191761 /nfs/dbraw/zinc/19/17/61/343191761.db2.gz HXMZPTVODSWCKA-SSDOTTSWSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@@H](C)CCO ZINC000134914720 343191899 /nfs/dbraw/zinc/19/18/99/343191899.db2.gz JYSQBIGAVILLIL-ZETCQYMHSA-N 1 2 226.280 0.498 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@@H](C)CCO ZINC000134914720 343191901 /nfs/dbraw/zinc/19/19/01/343191901.db2.gz JYSQBIGAVILLIL-ZETCQYMHSA-N 1 2 226.280 0.498 20 0 BCADLO CC[C@H](CS(=O)(=O)NCc1c[nH+]c[nH]1)OC ZINC000625301910 343227782 /nfs/dbraw/zinc/22/77/82/343227782.db2.gz ZCJDIUCRUPXGGT-SECBINFHSA-N 1 2 247.320 0.254 20 0 BCADLO CC[C@H](CS(=O)(=O)NCc1c[nH]c[nH+]1)OC ZINC000625301910 343227784 /nfs/dbraw/zinc/22/77/84/343227784.db2.gz ZCJDIUCRUPXGGT-SECBINFHSA-N 1 2 247.320 0.254 20 0 BCADLO CNC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000032489129 343236222 /nfs/dbraw/zinc/23/62/22/343236222.db2.gz WGDNJSBGMXXADY-VIFPVBQESA-N 1 2 207.277 0.611 20 0 BCADLO CNC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000032489129 343236223 /nfs/dbraw/zinc/23/62/23/343236223.db2.gz WGDNJSBGMXXADY-VIFPVBQESA-N 1 2 207.277 0.611 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@H](CC)NC(C)=O ZINC000631294451 343237593 /nfs/dbraw/zinc/23/75/93/343237593.db2.gz LMVWZGFRQVGRHH-NSHDSACASA-N 1 2 249.314 0.919 20 0 BCADLO CCOC(=O)C[N@H+](CC)[C@H]1CCOC1 ZINC000069624635 343286093 /nfs/dbraw/zinc/28/60/93/343286093.db2.gz CLGPMHMEEROIOQ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000069624635 343286095 /nfs/dbraw/zinc/28/60/95/343286095.db2.gz CLGPMHMEEROIOQ-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(F)cn1 ZINC000121242907 343265165 /nfs/dbraw/zinc/26/51/65/343265165.db2.gz NTNRAXXMZCJMRF-UHFFFAOYSA-N 1 2 248.261 0.927 20 0 BCADLO CC[C@](C)(O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035631 362147544 /nfs/dbraw/zinc/14/75/44/362147544.db2.gz RTIXLNNSMOFKDV-NSHDSACASA-N 1 2 235.291 0.753 20 0 BCADLO CO[C@H](C)CCC(=O)NCCc1c[nH+]cn1C ZINC000121621761 343268460 /nfs/dbraw/zinc/26/84/60/343268460.db2.gz ZOJPMFWBQZLNTK-SNVBAGLBSA-N 1 2 239.319 0.894 20 0 BCADLO C[C@H](O)CCCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036499 362148540 /nfs/dbraw/zinc/14/85/40/362148540.db2.gz OYKRMJIEZQFRDY-VIFPVBQESA-N 1 2 235.291 0.753 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccncc1 ZINC000088094622 136285543 /nfs/dbraw/zinc/28/55/43/136285543.db2.gz YQEVDSZCKPTPPC-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccncc1 ZINC000088094622 136285544 /nfs/dbraw/zinc/28/55/44/136285544.db2.gz YQEVDSZCKPTPPC-JQWIXIFHSA-N 1 2 222.288 0.663 20 0 BCADLO CC[C@](C)(O)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641039015 362151544 /nfs/dbraw/zinc/15/15/44/362151544.db2.gz XUNHBOFXXBHZFJ-LBPRGKRZSA-N 1 2 249.318 0.763 20 0 BCADLO CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000070266241 343319322 /nfs/dbraw/zinc/31/93/22/343319322.db2.gz NBBXWCAFRBONEB-UHFFFAOYSA-N 1 2 232.349 0.506 20 0 BCADLO C[C@H](CN1CCOCC1)[NH2+]Cc1ccn[nH]1 ZINC000036933306 343328403 /nfs/dbraw/zinc/32/84/03/343328403.db2.gz QQZQSEZTCAXKRW-SNVBAGLBSA-N 1 2 224.308 0.220 20 0 BCADLO c1nnc(NCCC[NH+]2CCOCC2)s1 ZINC000069965797 343294844 /nfs/dbraw/zinc/29/48/44/343294844.db2.gz FZUDJPKEVVMVDM-UHFFFAOYSA-N 1 2 228.321 0.672 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)Nc1nncs1 ZINC000069966321 343295120 /nfs/dbraw/zinc/29/51/20/343295120.db2.gz RJDRNRFEBBTAKP-QMMMGPOBSA-N 1 2 228.321 0.671 20 0 BCADLO Nc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000035609511 343300582 /nfs/dbraw/zinc/30/05/82/343300582.db2.gz GDUZOWAJLYUCJO-UHFFFAOYSA-N 1 2 249.314 0.019 20 0 BCADLO C[C@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000070153072 343301976 /nfs/dbraw/zinc/30/19/76/343301976.db2.gz FQBBKZYBGGFVFP-LURJTMIESA-N 1 2 204.233 0.271 20 0 BCADLO CC[C@@](C)(O)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053526 362162819 /nfs/dbraw/zinc/16/28/19/362162819.db2.gz IRGZOTFXGLIUKN-GFCCVEGCSA-N 1 2 249.318 0.763 20 0 BCADLO C[NH2+]Cc1noc(Cc2ccccc2N)n1 ZINC000584052395 343307247 /nfs/dbraw/zinc/30/72/47/343307247.db2.gz HYXZUSALHAKIJH-UHFFFAOYSA-N 1 2 218.260 0.962 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnns1 ZINC000625386673 343369117 /nfs/dbraw/zinc/36/91/17/343369117.db2.gz FVXNMGMXBJXGAB-SCZZXKLOSA-N 1 2 243.332 0.510 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnns1 ZINC000625386673 343369118 /nfs/dbraw/zinc/36/91/18/343369118.db2.gz FVXNMGMXBJXGAB-SCZZXKLOSA-N 1 2 243.332 0.510 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367063351 136302025 /nfs/dbraw/zinc/30/20/25/136302025.db2.gz VJAFQPLGQMFNLI-WCQYABFASA-N 1 2 248.330 0.865 20 0 BCADLO Cc1cnc(C[N@H+](C)CCC(N)=O)n1C ZINC000348838078 136302218 /nfs/dbraw/zinc/30/22/18/136302218.db2.gz LXRZZYQZYQMDMD-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCC(N)=O)n1C ZINC000348838078 136302219 /nfs/dbraw/zinc/30/22/19/136302219.db2.gz LXRZZYQZYQMDMD-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO Cc1c[nH+]c(CN(C)CCC(N)=O)n1C ZINC000348838078 136302220 /nfs/dbraw/zinc/30/22/20/136302220.db2.gz LXRZZYQZYQMDMD-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000348833063 136303430 /nfs/dbraw/zinc/30/34/30/136303430.db2.gz IWBRTEHZTFRGGF-JTQLQIEISA-N 1 2 248.286 0.212 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(=O)[nH]c1 ZINC000037495021 343347222 /nfs/dbraw/zinc/34/72/22/343347222.db2.gz LZIDZMALKCFMCQ-UHFFFAOYSA-N 1 2 246.270 0.381 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC1 ZINC000348947606 136309896 /nfs/dbraw/zinc/30/98/96/136309896.db2.gz JTGGPPFFBXPLIG-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC1 ZINC000348947606 136309897 /nfs/dbraw/zinc/30/98/97/136309897.db2.gz JTGGPPFFBXPLIG-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CCC2)C1)N1CCC1 ZINC000335664638 136316559 /nfs/dbraw/zinc/31/65/59/136316559.db2.gz VJJBGCBBKKXCHU-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CCC2)C1)N1CCC1 ZINC000335664638 136316560 /nfs/dbraw/zinc/31/65/60/136316560.db2.gz VJJBGCBBKKXCHU-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335688978 136324063 /nfs/dbraw/zinc/32/40/63/136324063.db2.gz XPPXVMOPZQLKRL-SECBINFHSA-N 1 2 249.314 0.861 20 0 BCADLO O=C(NCC1(O)CCC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335688978 136324064 /nfs/dbraw/zinc/32/40/64/136324064.db2.gz XPPXVMOPZQLKRL-SECBINFHSA-N 1 2 249.314 0.861 20 0 BCADLO CSCC(=O)NCCCn1cc[nH+]c1 ZINC000047465642 343406477 /nfs/dbraw/zinc/40/64/77/343406477.db2.gz APTKXACQNHUJPV-UHFFFAOYSA-N 1 2 213.306 0.752 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)cc[nH+]1 ZINC000349153065 136326933 /nfs/dbraw/zinc/32/69/33/136326933.db2.gz RCDSGSXAHYIOJA-VHSXEESVSA-N 1 2 247.298 0.665 20 0 BCADLO COCC[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641086167 362202373 /nfs/dbraw/zinc/20/23/73/362202373.db2.gz KAZQRMKIGYLYCR-KOLCDFICSA-N 1 2 240.307 0.537 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H]1CCCO1 ZINC000590294574 346939060 /nfs/dbraw/zinc/93/90/60/346939060.db2.gz LUHYPEYFFHTDBD-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H]1CCCO1 ZINC000590294574 346939063 /nfs/dbraw/zinc/93/90/63/346939063.db2.gz LUHYPEYFFHTDBD-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO CC(C)[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083965 362205414 /nfs/dbraw/zinc/20/54/14/362205414.db2.gz XXSZEQSTKOEWGD-NSHDSACASA-N 1 2 235.291 0.540 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335685539 136329768 /nfs/dbraw/zinc/32/97/68/136329768.db2.gz TUMWWUDVNCMMIW-QWRGUYRKSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1cc[nH]c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335685539 136329769 /nfs/dbraw/zinc/32/97/69/136329769.db2.gz TUMWWUDVNCMMIW-QWRGUYRKSA-N 1 2 249.314 0.478 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC2(C)CCC2)nn1 ZINC000641089209 362212835 /nfs/dbraw/zinc/21/28/35/362212835.db2.gz ZDIZJYDUIOKAFW-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC2(C)CCC2)nn1 ZINC000641089209 362212837 /nfs/dbraw/zinc/21/28/37/362212837.db2.gz ZDIZJYDUIOKAFW-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCO1 ZINC000335710133 136337273 /nfs/dbraw/zinc/33/72/73/136337273.db2.gz GLCBUXSGXXCDPR-LBPRGKRZSA-N 1 2 235.287 0.794 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)n1cncn1 ZINC000042535267 343441690 /nfs/dbraw/zinc/44/16/90/343441690.db2.gz LVROGMZMPJMLEF-ZJUUUORDSA-N 1 2 248.290 0.241 20 0 BCADLO CCN1CCN(Cc2c[nH+]c[nH]2)[C@@H](C)C1=O ZINC000335715952 136339172 /nfs/dbraw/zinc/33/91/72/136339172.db2.gz FNBIMEXTQTWTHO-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO CCN1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1=O ZINC000335715952 136339173 /nfs/dbraw/zinc/33/91/73/136339173.db2.gz FNBIMEXTQTWTHO-VIFPVBQESA-N 1 2 222.292 0.462 20 0 BCADLO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000349347416 136342573 /nfs/dbraw/zinc/34/25/73/136342573.db2.gz LQTVVSWZYYFXQY-GRYCIOLGSA-N 1 2 238.331 0.718 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cscn1 ZINC000350269179 136357279 /nfs/dbraw/zinc/35/72/79/136357279.db2.gz QZTPIYZKJJCAMA-DTWKUNHWSA-N 1 2 214.290 0.071 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cscn1 ZINC000350269179 136357280 /nfs/dbraw/zinc/35/72/80/136357280.db2.gz QZTPIYZKJJCAMA-DTWKUNHWSA-N 1 2 214.290 0.071 20 0 BCADLO COCc1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000350496709 136361550 /nfs/dbraw/zinc/36/15/50/136361550.db2.gz DXLMPWQPABHWOH-SECBINFHSA-N 1 2 241.291 0.998 20 0 BCADLO COCc1noc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000350496709 136361551 /nfs/dbraw/zinc/36/15/51/136361551.db2.gz DXLMPWQPABHWOH-SECBINFHSA-N 1 2 241.291 0.998 20 0 BCADLO CC[C@H]([NH2+]CCn1cncn1)[C@@H]1CCOC1 ZINC000167012586 136367841 /nfs/dbraw/zinc/36/78/41/136367841.db2.gz KRRXEJGFZRCIHT-MNOVXSKESA-N 1 2 224.308 0.683 20 0 BCADLO CCOC(C)(C)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000166943965 136367890 /nfs/dbraw/zinc/36/78/90/136367890.db2.gz SVNOCGGRTHRIPR-VIFPVBQESA-N 1 2 237.365 0.824 20 0 BCADLO Cc1nc(N2C[C@@H](C)[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000351501304 136368837 /nfs/dbraw/zinc/36/88/37/136368837.db2.gz HGDROFKWNLMENR-VXNVDRBHSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000351501304 136368838 /nfs/dbraw/zinc/36/88/38/136368838.db2.gz HGDROFKWNLMENR-VXNVDRBHSA-N 1 2 237.307 0.063 20 0 BCADLO Cn1cnc(CNc2cc[nH+]c3ccncc23)n1 ZINC000351503451 136368944 /nfs/dbraw/zinc/36/89/44/136368944.db2.gz UETYTTIXBBKPSA-UHFFFAOYSA-N 1 2 240.270 0.792 20 0 BCADLO CC(C)(CO)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123753 362230704 /nfs/dbraw/zinc/23/07/04/362230704.db2.gz PRJRHMCEMDEXSE-UHFFFAOYSA-N 1 2 249.318 0.736 20 0 BCADLO CC[N@H+](CC(=O)NC(C)C)C1COC1 ZINC000351608116 136370156 /nfs/dbraw/zinc/37/01/56/136370156.db2.gz LQIKRUYSCXWVSX-UHFFFAOYSA-N 1 2 200.282 0.232 20 0 BCADLO CC[N@@H+](CC(=O)NC(C)C)C1COC1 ZINC000351608116 136370157 /nfs/dbraw/zinc/37/01/57/136370157.db2.gz LQIKRUYSCXWVSX-UHFFFAOYSA-N 1 2 200.282 0.232 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1C1CC1 ZINC000351786537 136370640 /nfs/dbraw/zinc/37/06/40/136370640.db2.gz XUAZIRRFNFDHQD-LDYMZIIASA-N 1 2 236.319 0.734 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1C1CC1 ZINC000351786537 136370641 /nfs/dbraw/zinc/37/06/41/136370641.db2.gz XUAZIRRFNFDHQD-LDYMZIIASA-N 1 2 236.319 0.734 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCCC(=O)OC ZINC000082476759 343444902 /nfs/dbraw/zinc/44/49/02/343444902.db2.gz FPFWFEYGKCJYCW-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCCC(=O)OC ZINC000082476759 343444903 /nfs/dbraw/zinc/44/49/03/343444903.db2.gz FPFWFEYGKCJYCW-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000043637906 343479348 /nfs/dbraw/zinc/47/93/48/343479348.db2.gz MCQAMLWEKWJJPK-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCO[C@@H](OC)C1 ZINC000602895057 349812669 /nfs/dbraw/zinc/81/26/69/349812669.db2.gz FKBJMOFVWJPMJC-LLVKDONJSA-N 1 2 231.292 0.634 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCO[C@@H](OC)C1 ZINC000602895057 349812672 /nfs/dbraw/zinc/81/26/72/349812672.db2.gz FKBJMOFVWJPMJC-LLVKDONJSA-N 1 2 231.292 0.634 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)C[C@@H](C)O ZINC000083995513 343513409 /nfs/dbraw/zinc/51/34/09/343513409.db2.gz JMRBGDDLFNWHGP-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)C[C@@H](C)O ZINC000083995513 343513410 /nfs/dbraw/zinc/51/34/10/343513410.db2.gz JMRBGDDLFNWHGP-SECBINFHSA-N 1 2 212.297 0.672 20 0 BCADLO C/C=C\CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000623726112 343517446 /nfs/dbraw/zinc/51/74/46/343517446.db2.gz ZJTGJSPASZZHDM-BYCRGOAPSA-N 1 2 241.335 0.582 20 0 BCADLO C/C=C\CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000623726112 343517448 /nfs/dbraw/zinc/51/74/48/343517448.db2.gz ZJTGJSPASZZHDM-BYCRGOAPSA-N 1 2 241.335 0.582 20 0 BCADLO C[N@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000045945384 343536249 /nfs/dbraw/zinc/53/62/49/343536249.db2.gz OZBLGJOWZPNFDL-UHFFFAOYSA-N 1 2 219.244 0.745 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000045945384 343536250 /nfs/dbraw/zinc/53/62/50/343536250.db2.gz OZBLGJOWZPNFDL-UHFFFAOYSA-N 1 2 219.244 0.745 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](C)O)C(C)(C)C ZINC000379570380 343576835 /nfs/dbraw/zinc/57/68/35/343576835.db2.gz GSEICAWBNGKNSO-YUMQZZPRSA-N 1 2 203.282 0.545 20 0 BCADLO CCOC(=O)C[NH2+][C@@]1(CC)CCOC1 ZINC000379574220 343576849 /nfs/dbraw/zinc/57/68/49/343576849.db2.gz JEBDEZMWINDYRM-JTQLQIEISA-N 1 2 201.266 0.708 20 0 BCADLO COC(=O)C[NH2+]C1(CC(=O)OC)CCC1 ZINC000222272337 343555516 /nfs/dbraw/zinc/55/55/16/343555516.db2.gz YLIJBLBTWZEERQ-UHFFFAOYSA-N 1 2 215.249 0.235 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N(CC)CC ZINC000048047908 343570311 /nfs/dbraw/zinc/57/03/11/343570311.db2.gz YFHCXGBADZTSSV-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CC)CC ZINC000048047908 343570313 /nfs/dbraw/zinc/57/03/13/343570313.db2.gz YFHCXGBADZTSSV-UHFFFAOYSA-N 1 2 243.351 0.442 20 0 BCADLO CN(Cc1ccccc1)C(=O)C[N@H+](C)CC(N)=O ZINC000049237297 343595027 /nfs/dbraw/zinc/59/50/27/343595027.db2.gz NYBMLNNYCQOODN-UHFFFAOYSA-N 1 2 249.314 0.062 20 0 BCADLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)CC(N)=O ZINC000049237297 343595030 /nfs/dbraw/zinc/59/50/30/343595030.db2.gz NYBMLNNYCQOODN-UHFFFAOYSA-N 1 2 249.314 0.062 20 0 BCADLO Cc1nc(C[NH+]2CCC([C@H](C)O)CC2)no1 ZINC000225779504 259367311 /nfs/dbraw/zinc/36/73/11/259367311.db2.gz QDAPKRCLKBDHOE-QMMMGPOBSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[NH+]2CCC([C@@H](C)O)CC2)no1 ZINC000225779489 259367331 /nfs/dbraw/zinc/36/73/31/259367331.db2.gz QDAPKRCLKBDHOE-MRVPVSSYSA-N 1 2 225.292 0.971 20 0 BCADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC)C1CC1 ZINC000087478701 343650672 /nfs/dbraw/zinc/65/06/72/343650672.db2.gz ZAINZFMIKPAWFC-IONNQARKSA-N 1 2 201.266 0.563 20 0 BCADLO CCOCC[N@H+](C)[C@@H](C)C(=O)OCC ZINC000087613342 343654826 /nfs/dbraw/zinc/65/48/26/343654826.db2.gz AWGMVFHCUFWVRH-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000087613342 343654828 /nfs/dbraw/zinc/65/48/28/343654828.db2.gz AWGMVFHCUFWVRH-VIFPVBQESA-N 1 2 203.282 0.906 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624056260 343666145 /nfs/dbraw/zinc/66/61/45/343666145.db2.gz ZEPGTKWXFYDULQ-VWYCJHECSA-N 1 2 241.335 0.415 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624056260 343666147 /nfs/dbraw/zinc/66/61/47/343666147.db2.gz ZEPGTKWXFYDULQ-VWYCJHECSA-N 1 2 241.335 0.415 20 0 BCADLO CCNC(=O)C[N@@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984638 349836078 /nfs/dbraw/zinc/83/60/78/349836078.db2.gz VQALXSFAEJBQGU-UHFFFAOYSA-N 1 2 240.303 0.293 20 0 BCADLO CCNC(=O)C[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984638 349836081 /nfs/dbraw/zinc/83/60/81/349836081.db2.gz VQALXSFAEJBQGU-UHFFFAOYSA-N 1 2 240.303 0.293 20 0 BCADLO COCC[N@H+](Cc1nc(C)no1)C1CC1 ZINC000048024015 343702064 /nfs/dbraw/zinc/70/20/64/343702064.db2.gz LDQLKEOHSGFHGI-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO COCC[N@@H+](Cc1nc(C)no1)C1CC1 ZINC000048024015 343702065 /nfs/dbraw/zinc/70/20/65/343702065.db2.gz LDQLKEOHSGFHGI-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO CCc1nc(C[NH2+][C@H](C)[C@H](C)CO)no1 ZINC000309036575 346955332 /nfs/dbraw/zinc/95/53/32/346955332.db2.gz IMIHNQCIIDUDHZ-HTQZYQBOSA-N 1 2 213.281 0.739 20 0 BCADLO C[C@@H]1CO[C@@H](CO)CN1c1cccc[nH+]1 ZINC000088093952 343705137 /nfs/dbraw/zinc/70/51/37/343705137.db2.gz ATIXAKJWOQRMOF-NXEZZACHSA-N 1 2 208.261 0.668 20 0 BCADLO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000634699913 343685823 /nfs/dbraw/zinc/68/58/23/343685823.db2.gz QJVBHRBKULTXKW-RYUDHWBXSA-N 1 2 239.319 0.411 20 0 BCADLO COCCOCC[N@H+](C)Cc1cnns1 ZINC000625433399 343734377 /nfs/dbraw/zinc/73/43/77/343734377.db2.gz XVYZZBUADBSWLP-UHFFFAOYSA-N 1 2 231.321 0.633 20 0 BCADLO COCCOCC[N@@H+](C)Cc1cnns1 ZINC000625433399 343734378 /nfs/dbraw/zinc/73/43/78/343734378.db2.gz XVYZZBUADBSWLP-UHFFFAOYSA-N 1 2 231.321 0.633 20 0 BCADLO COc1cncc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625434466 343735179 /nfs/dbraw/zinc/73/51/79/343735179.db2.gz VWLYPRXBADCLAC-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO CN1C[C@H](CN2CCn3cc[nH+]c3C2)OC1=O ZINC000496811320 529825920 /nfs/dbraw/zinc/82/59/20/529825920.db2.gz PZTZIWRVDLMGNQ-SECBINFHSA-N 1 2 236.275 0.149 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336441780 537811532 /nfs/dbraw/zinc/81/15/32/537811532.db2.gz BZOJHXGBQWBBMR-JGVFFNPUSA-N 1 2 213.281 0.463 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000336441780 537811537 /nfs/dbraw/zinc/81/15/37/537811537.db2.gz BZOJHXGBQWBBMR-JGVFFNPUSA-N 1 2 213.281 0.463 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccncc1 ZINC000336448867 537809994 /nfs/dbraw/zinc/80/99/94/537809994.db2.gz KWLVFWLYLCFEHG-UHFFFAOYSA-N 1 2 216.244 0.745 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625445662 343766349 /nfs/dbraw/zinc/76/63/49/343766349.db2.gz GZEPIIVAQYZSNB-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625445662 343766351 /nfs/dbraw/zinc/76/63/51/343766351.db2.gz GZEPIIVAQYZSNB-UHFFFAOYSA-N 1 2 243.351 0.346 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000238152082 537817218 /nfs/dbraw/zinc/81/72/18/537817218.db2.gz YEEUMUOAYLATIU-SECBINFHSA-N 1 2 211.265 0.016 20 0 BCADLO Nc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000021951943 343823233 /nfs/dbraw/zinc/82/32/33/343823233.db2.gz HRYQHSLICVGDSY-UHFFFAOYSA-N 1 2 249.314 0.019 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000179413409 346983858 /nfs/dbraw/zinc/98/38/58/346983858.db2.gz PEHCZSQCGMQNHW-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000179413409 346983860 /nfs/dbraw/zinc/98/38/60/346983860.db2.gz PEHCZSQCGMQNHW-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CN(CCCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760127 529884335 /nfs/dbraw/zinc/88/43/35/529884335.db2.gz DEPGAVZDFMHAKQ-PLNGDYQASA-N 1 2 223.276 0.654 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)n1cccn1 ZINC000582132135 346987971 /nfs/dbraw/zinc/98/79/71/346987971.db2.gz BVSCIAGZRSFRMM-JTQLQIEISA-N 1 2 247.302 0.977 20 0 BCADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)cn1 ZINC000179652540 346991518 /nfs/dbraw/zinc/99/15/18/346991518.db2.gz STCXZGUVBTYOAQ-NSHDSACASA-N 1 2 246.318 0.886 20 0 BCADLO Cn1cc(C[N@H+]2CCC[C@H]2c2nncn2C)cn1 ZINC000179652540 346991521 /nfs/dbraw/zinc/99/15/21/346991521.db2.gz STCXZGUVBTYOAQ-NSHDSACASA-N 1 2 246.318 0.886 20 0 BCADLO CCSCCn1cc(C[N@H+](C)CCO)nn1 ZINC000603195738 349883153 /nfs/dbraw/zinc/88/31/53/349883153.db2.gz AXOADPPCSHGHBC-UHFFFAOYSA-N 1 2 244.364 0.455 20 0 BCADLO CCSCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000603195738 349883156 /nfs/dbraw/zinc/88/31/56/349883156.db2.gz AXOADPPCSHGHBC-UHFFFAOYSA-N 1 2 244.364 0.455 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](COC)OC)C1CC1 ZINC000595308535 537828296 /nfs/dbraw/zinc/82/82/96/537828296.db2.gz JVBPEBVVLIZAMJ-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](COC)OC)C1CC1 ZINC000595308535 537828301 /nfs/dbraw/zinc/82/83/01/537828301.db2.gz JVBPEBVVLIZAMJ-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000595308456 537828420 /nfs/dbraw/zinc/82/84/20/537828420.db2.gz OFQWPPQLXDCHOW-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000595308456 537828426 /nfs/dbraw/zinc/82/84/26/537828426.db2.gz OFQWPPQLXDCHOW-VHSXEESVSA-N 1 2 243.303 0.428 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1 ZINC000625488633 343884529 /nfs/dbraw/zinc/88/45/29/343884529.db2.gz GRGBGNSTCIKSFV-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CC[C@H](C)n1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603200557 349885698 /nfs/dbraw/zinc/88/56/98/349885698.db2.gz ZEZBGXICMOHPKS-CBAPKCEASA-N 1 2 226.280 0.292 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000621722220 343868148 /nfs/dbraw/zinc/86/81/48/343868148.db2.gz ORXCIYIREGUKIQ-LBPRGKRZSA-N 1 2 248.330 0.301 20 0 BCADLO Cc1nccnc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000621722220 343868152 /nfs/dbraw/zinc/86/81/52/343868152.db2.gz ORXCIYIREGUKIQ-LBPRGKRZSA-N 1 2 248.330 0.301 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)OCCCF ZINC000495986618 529911216 /nfs/dbraw/zinc/91/12/16/529911216.db2.gz DKXPVOMLOSMKKS-UHFFFAOYSA-N 1 2 248.298 0.747 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625506782 343898160 /nfs/dbraw/zinc/89/81/60/343898160.db2.gz BUQBVDHLFNQWDK-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625506782 343898161 /nfs/dbraw/zinc/89/81/61/343898161.db2.gz BUQBVDHLFNQWDK-UHFFFAOYSA-N 1 2 243.351 0.217 20 0 BCADLO COC[C@@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000309267816 347010515 /nfs/dbraw/zinc/01/05/15/347010515.db2.gz JYZWCVKINAMBEQ-VIFPVBQESA-N 1 2 246.698 0.522 20 0 BCADLO COC[C@@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000309267816 347010518 /nfs/dbraw/zinc/01/05/18/347010518.db2.gz JYZWCVKINAMBEQ-VIFPVBQESA-N 1 2 246.698 0.522 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619358583 343937181 /nfs/dbraw/zinc/93/71/81/343937181.db2.gz VROXCGUYHKBFTJ-NXEZZACHSA-N 1 2 205.261 0.752 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000625516769 343915371 /nfs/dbraw/zinc/91/53/71/343915371.db2.gz ZGGNOCIZESFXLT-MNOVXSKESA-N 1 2 241.335 0.368 20 0 BCADLO C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000625516769 343915373 /nfs/dbraw/zinc/91/53/73/343915373.db2.gz ZGGNOCIZESFXLT-MNOVXSKESA-N 1 2 241.335 0.368 20 0 BCADLO O=C(NC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000135089546 343932523 /nfs/dbraw/zinc/93/25/23/343932523.db2.gz FSCBDQKRKWVIQW-NSHDSACASA-N 1 2 239.319 0.265 20 0 BCADLO Cc1[nH]c(CN(C)CC(=O)NC2CC2)[nH+]c1C ZINC000628122469 343974261 /nfs/dbraw/zinc/97/42/61/343974261.db2.gz YHOWIIBEXYHOFB-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)COC(C)(C)C)c1 ZINC000313250600 343962117 /nfs/dbraw/zinc/96/21/17/343962117.db2.gz JXKWZPQKJMQUDG-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO Cc1cnc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000625713010 344051045 /nfs/dbraw/zinc/05/10/45/344051045.db2.gz GXSZUZPKWQHWIP-VGMNWLOBSA-N 1 2 212.249 0.081 20 0 BCADLO O=C1NCCN1CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727692 344058747 /nfs/dbraw/zinc/05/87/47/344058747.db2.gz IHCGLMPOIVOQMY-UHFFFAOYSA-N 1 2 247.298 0.733 20 0 BCADLO O=C1NCCN1CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727692 344058748 /nfs/dbraw/zinc/05/87/48/344058748.db2.gz IHCGLMPOIVOQMY-UHFFFAOYSA-N 1 2 247.298 0.733 20 0 BCADLO CN(CC1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641285717 362346223 /nfs/dbraw/zinc/34/62/23/362346223.db2.gz GPGCUPUJQYEIDG-UHFFFAOYSA-N 1 2 243.332 0.555 20 0 BCADLO CC(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634745953 344170176 /nfs/dbraw/zinc/17/01/76/344170176.db2.gz ZCVRBNMHWHUBIK-SNVBAGLBSA-N 1 2 212.293 0.518 20 0 BCADLO CC(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634745953 344170179 /nfs/dbraw/zinc/17/01/79/344170179.db2.gz ZCVRBNMHWHUBIK-SNVBAGLBSA-N 1 2 212.293 0.518 20 0 BCADLO C[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641313047 362358389 /nfs/dbraw/zinc/35/83/89/362358389.db2.gz LGEKKTKVVDXWCN-JTQLQIEISA-N 1 2 243.332 0.555 20 0 BCADLO CSC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000306358041 344127087 /nfs/dbraw/zinc/12/70/87/344127087.db2.gz XNQUGEUEUJFPDD-RXMQYKEDSA-N 1 2 213.310 0.926 20 0 BCADLO CSC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000306358041 344127088 /nfs/dbraw/zinc/12/70/88/344127088.db2.gz XNQUGEUEUJFPDD-RXMQYKEDSA-N 1 2 213.310 0.926 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754205 344207443 /nfs/dbraw/zinc/20/74/43/344207443.db2.gz WYEXYRYEMOGBMJ-SFYZADRCSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754205 344207444 /nfs/dbraw/zinc/20/74/44/344207444.db2.gz WYEXYRYEMOGBMJ-SFYZADRCSA-N 1 2 234.246 0.231 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@]2(C)CCOC2)C1 ZINC000570749941 323069279 /nfs/dbraw/zinc/06/92/79/323069279.db2.gz YVFQERXGNOYJHN-LBPRGKRZSA-N 1 2 226.320 0.623 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C(F)F)CC1)N1CCC1 ZINC000634751764 344201752 /nfs/dbraw/zinc/20/17/52/344201752.db2.gz XGJMCAFWBKQAEE-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C(F)F)CC1)N1CCC1 ZINC000634751764 344201754 /nfs/dbraw/zinc/20/17/54/344201754.db2.gz XGJMCAFWBKQAEE-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO CC1(C)[C@@H](O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000309346303 347039118 /nfs/dbraw/zinc/03/91/18/347039118.db2.gz MHAPJMFVTZTCPH-VIFPVBQESA-N 1 2 223.276 0.255 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000620549792 344245729 /nfs/dbraw/zinc/24/57/29/344245729.db2.gz OVZFIUQGHRYCJG-KOLCDFICSA-N 1 2 223.276 0.256 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+](C)C2CC(O)C2)o1 ZINC000408215398 344251567 /nfs/dbraw/zinc/25/15/67/344251567.db2.gz PSFGBTZDQUZSBG-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+](C)C2CC(O)C2)o1 ZINC000408215398 344251569 /nfs/dbraw/zinc/25/15/69/344251569.db2.gz PSFGBTZDQUZSBG-KXNKJCORSA-N 1 2 211.265 0.894 20 0 BCADLO C[C@H]1COCCN1CCNc1cc[nH+]cc1F ZINC000641343177 362370685 /nfs/dbraw/zinc/37/06/85/362370685.db2.gz CLHUAHOXPZERBB-JTQLQIEISA-N 1 2 239.294 0.775 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000228173911 259374548 /nfs/dbraw/zinc/37/45/48/259374548.db2.gz QHKUOXYFQRJCMU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000228173911 259374550 /nfs/dbraw/zinc/37/45/50/259374550.db2.gz QHKUOXYFQRJCMU-CBAPKCEASA-N 1 2 211.265 0.581 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000247460297 344273243 /nfs/dbraw/zinc/27/32/43/344273243.db2.gz IIALWEAIFMNUES-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000247460297 344273247 /nfs/dbraw/zinc/27/32/47/344273247.db2.gz IIALWEAIFMNUES-SCZZXKLOSA-N 1 2 240.307 0.521 20 0 BCADLO Cn1c[nH+]c2c1CCN(c1cc(CO)ccn1)C2 ZINC000641357595 362374950 /nfs/dbraw/zinc/37/49/50/362374950.db2.gz AIIQCBDFMICRDL-UHFFFAOYSA-N 1 2 244.298 0.870 20 0 BCADLO Cc1nnc(C(=O)NCc2c[nH+]cn2C)s1 ZINC000570789752 323070343 /nfs/dbraw/zinc/07/03/43/323070343.db2.gz NNBNLQDYMAGLNC-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1CC(C)C ZINC000133102058 344312396 /nfs/dbraw/zinc/31/23/96/344312396.db2.gz YXRKNSZLIORQHU-VIFPVBQESA-N 1 2 201.266 0.516 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1CC(C)C ZINC000133102058 344312402 /nfs/dbraw/zinc/31/24/02/344312402.db2.gz YXRKNSZLIORQHU-VIFPVBQESA-N 1 2 201.266 0.516 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC000385078787 344317859 /nfs/dbraw/zinc/31/78/59/344317859.db2.gz FVHCECYHQZQRNH-NXEZZACHSA-N 1 2 223.276 0.255 20 0 BCADLO CNC(=O)[C@@H]([NH2+]Cc1csnn1)C(C)C ZINC000133494733 344319527 /nfs/dbraw/zinc/31/95/27/344319527.db2.gz FLVKRYFUIYNSSX-QMMMGPOBSA-N 1 2 228.321 0.398 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)[nH]n1 ZINC000620596802 344330354 /nfs/dbraw/zinc/33/03/54/344330354.db2.gz RRKFICWLXAMRKC-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO CC[C@@H]([NH2+][C@H](CCOC)COC)C(=O)OC ZINC000309395138 347046340 /nfs/dbraw/zinc/04/63/40/347046340.db2.gz UKDKDOMOEYXTNM-NXEZZACHSA-N 1 2 233.308 0.579 20 0 BCADLO NC(=O)CCSCCCn1cc[nH+]c1 ZINC000600608172 344334652 /nfs/dbraw/zinc/33/46/52/344334652.db2.gz BTUWCTMRGYURDW-UHFFFAOYSA-N 1 2 213.306 0.882 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](OC)C1)C1CC1 ZINC000600614938 344337378 /nfs/dbraw/zinc/33/73/78/344337378.db2.gz MODOVRWWKCEAJB-OPRDCNLKSA-N 1 2 213.277 0.705 20 0 BCADLO C[C@@H](c1ccncc1)[NH+]1CCN(CCO)CC1 ZINC000600618371 344340296 /nfs/dbraw/zinc/34/02/96/344340296.db2.gz LENABUBYLPEMMV-LBPRGKRZSA-N 1 2 235.331 0.753 20 0 BCADLO Cn1nnnc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000600648058 344351765 /nfs/dbraw/zinc/35/17/65/344351765.db2.gz XVSCWTPIKGBNJT-GFCCVEGCSA-N 1 2 247.302 0.207 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(N)=O)cs1 ZINC000072802003 344355570 /nfs/dbraw/zinc/35/55/70/344355570.db2.gz GCHPHIWPIGZVPP-VIFPVBQESA-N 1 2 225.317 0.901 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H]2C(N)=O)cs1 ZINC000072802003 344355573 /nfs/dbraw/zinc/35/55/73/344355573.db2.gz GCHPHIWPIGZVPP-VIFPVBQESA-N 1 2 225.317 0.901 20 0 BCADLO C[C@H](NC(=O)COC(F)F)c1[nH+]ccn1C ZINC000620609511 344361119 /nfs/dbraw/zinc/36/11/19/344361119.db2.gz SBLHPGKIWQEVMO-LURJTMIESA-N 1 2 233.218 0.837 20 0 BCADLO CCn1cnnc1CCNc1cc(CO)cc[nH+]1 ZINC000641382695 362385769 /nfs/dbraw/zinc/38/57/69/362385769.db2.gz PNNCWAWPDXNPNB-UHFFFAOYSA-N 1 2 247.302 0.840 20 0 BCADLO CN1C[C@H](Nc2cc(CO)cc[nH+]2)CCC1=O ZINC000641385145 362385912 /nfs/dbraw/zinc/38/59/12/362385912.db2.gz LECMULZCRJWJOS-SNVBAGLBSA-N 1 2 235.287 0.607 20 0 BCADLO CN(c1cc(CO)cc[nH+]1)[C@H]1CCN(C)C1=O ZINC000641385757 362386757 /nfs/dbraw/zinc/38/67/57/362386757.db2.gz RYWUICKOVBMBAM-JTQLQIEISA-N 1 2 235.287 0.241 20 0 BCADLO COC[C@H](CCO)Nc1cc[nH+]cc1F ZINC000641387853 362388328 /nfs/dbraw/zinc/38/83/28/362388328.db2.gz JUJUSRBYZVMPLG-QMMMGPOBSA-N 1 2 214.240 0.452 20 0 BCADLO Cc1[nH]c(C(=O)NCCCn2cncn2)c[nH+]1 ZINC000600950122 344401513 /nfs/dbraw/zinc/40/15/13/344401513.db2.gz RYKDWHJODPFQDI-UHFFFAOYSA-N 1 2 234.263 0.130 20 0 BCADLO CC[C@@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000573740044 344509362 /nfs/dbraw/zinc/50/93/62/344509362.db2.gz WWKMDIBEDYXDNX-LBPRGKRZSA-N 1 2 228.336 0.605 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=COCCO1 ZINC000042512197 344442002 /nfs/dbraw/zinc/44/20/02/344442002.db2.gz VEYBDKPLPYEQJP-SECBINFHSA-N 1 2 237.259 0.276 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000104412053 344459204 /nfs/dbraw/zinc/45/92/04/344459204.db2.gz BLEIJQWCRWUYCN-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(C)n1 ZINC000104412053 344459206 /nfs/dbraw/zinc/45/92/06/344459206.db2.gz BLEIJQWCRWUYCN-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000104412053 344459208 /nfs/dbraw/zinc/45/92/08/344459208.db2.gz BLEIJQWCRWUYCN-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000104412053 344459209 /nfs/dbraw/zinc/45/92/09/344459209.db2.gz BLEIJQWCRWUYCN-VIFPVBQESA-N 1 2 237.307 0.926 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1ncnc2c1C[N@H+](C)CC2 ZINC000408292582 344465534 /nfs/dbraw/zinc/46/55/34/344465534.db2.gz UGTXXANSSNTWEQ-NXEZZACHSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000408292582 344465536 /nfs/dbraw/zinc/46/55/36/344465536.db2.gz UGTXXANSSNTWEQ-NXEZZACHSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)CO1 ZINC000408298806 344470271 /nfs/dbraw/zinc/47/02/71/344470271.db2.gz QVLWHQNPRRGXKO-RKDXNWHRSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cn(C2CC2)nn1 ZINC000624075602 344471153 /nfs/dbraw/zinc/47/11/53/344471153.db2.gz NVTVXMFCDBDMIG-UHFFFAOYSA-N 1 2 246.274 0.240 20 0 BCADLO CC[C@H](O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000622309436 344490206 /nfs/dbraw/zinc/49/02/06/344490206.db2.gz QSLFSJSHZSKQNT-UWVGGRQHSA-N 1 2 225.292 0.549 20 0 BCADLO Cc1nc2n(n1)CCN(c1cc(CO)cc[nH+]1)C2 ZINC000641414846 362402855 /nfs/dbraw/zinc/40/28/55/362402855.db2.gz JRGGMOXPMJAIBJ-UHFFFAOYSA-N 1 2 245.286 0.494 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043628828 344529157 /nfs/dbraw/zinc/52/91/57/344529157.db2.gz GMSAELKVBMAZOF-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043628828 344529159 /nfs/dbraw/zinc/52/91/59/344529159.db2.gz GMSAELKVBMAZOF-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220524755 344544453 /nfs/dbraw/zinc/54/44/53/344544453.db2.gz IUJPLBUONZJVSF-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220524755 344544456 /nfs/dbraw/zinc/54/44/56/344544456.db2.gz IUJPLBUONZJVSF-DTWKUNHWSA-N 1 2 237.303 0.402 20 0 BCADLO CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000127567640 344564642 /nfs/dbraw/zinc/56/46/42/344564642.db2.gz LHBRKVZKVBGIOT-NXEZZACHSA-N 1 2 247.335 0.561 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1c1cc[nH+]cc1F ZINC000641438607 362418785 /nfs/dbraw/zinc/41/87/85/362418785.db2.gz DXVZEQMVLRMZMQ-IUCAKERBSA-N 1 2 226.251 0.807 20 0 BCADLO O=S1(=O)CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641444540 362422322 /nfs/dbraw/zinc/42/23/22/362422322.db2.gz SUVQYMFKXKCJMY-MRVPVSSYSA-N 1 2 244.291 0.632 20 0 BCADLO O=C1C[C@@H](Nc2cc[nH+]cc2F)CN1C1CC1 ZINC000641444730 362423350 /nfs/dbraw/zinc/42/33/50/362423350.db2.gz TYJBXDZUYLRUCZ-MRVPVSSYSA-N 1 2 235.262 0.818 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC1(C)C ZINC000672770703 488265716 /nfs/dbraw/zinc/26/57/16/488265716.db2.gz GLXYHUCWKYYUAX-SECBINFHSA-N 1 2 207.277 0.877 20 0 BCADLO C[C@@H](CNc1cc(CO)cc[nH+]1)S(C)(=O)=O ZINC000641461597 362435638 /nfs/dbraw/zinc/43/56/38/362435638.db2.gz WONHCYZNMRAYML-QMMMGPOBSA-N 1 2 244.316 0.419 20 0 BCADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641469045 362437473 /nfs/dbraw/zinc/43/74/73/362437473.db2.gz GPRVNIAICYKYNB-WDEREUQCSA-N 1 2 249.314 0.901 20 0 BCADLO CCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886557 344579489 /nfs/dbraw/zinc/57/94/89/344579489.db2.gz JZCIYYQWJSWMMP-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CC(=O)N1CCN(c2cc(CO)cc[nH+]2)[C@@H](C)C1 ZINC000641437951 362418388 /nfs/dbraw/zinc/41/83/88/362418388.db2.gz AIIVLGYPPRJTBD-JTQLQIEISA-N 1 2 249.314 0.631 20 0 BCADLO CO[C@@]1(CNc2cc(CO)cc[nH+]2)CCOC1 ZINC000641490014 362457389 /nfs/dbraw/zinc/45/73/89/362457389.db2.gz CEFYMRKOVXZFSH-GFCCVEGCSA-N 1 2 238.287 0.791 20 0 BCADLO CO[C@@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641491196 362459347 /nfs/dbraw/zinc/45/93/47/362459347.db2.gz NKSKGXWSJRIALN-LLVKDONJSA-N 1 2 226.251 0.860 20 0 BCADLO C[C@H]1CN(c2cc[nH+]cc2F)CCS1(=O)=O ZINC000641492715 362461217 /nfs/dbraw/zinc/46/12/17/362461217.db2.gz ZTGXDQNGQJBLCG-QMMMGPOBSA-N 1 2 244.291 0.844 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCOC1 ZINC000158969009 259378235 /nfs/dbraw/zinc/37/82/35/259378235.db2.gz UZOOZNWMSVACFK-SNVBAGLBSA-N 1 2 238.291 0.361 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](F)C1 ZINC000641520193 362476863 /nfs/dbraw/zinc/47/68/63/362476863.db2.gz CDQLPRCNYDQNCC-SECBINFHSA-N 1 2 247.295 0.257 20 0 BCADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](CO)O1 ZINC000641545825 362493544 /nfs/dbraw/zinc/49/35/44/362493544.db2.gz ZNBWWJGKXPPPIU-DTWKUNHWSA-N 1 2 226.251 0.807 20 0 BCADLO O=C1CCC[C@H](CNc2cc(CO)cc[nH+]2)N1 ZINC000641542829 362490187 /nfs/dbraw/zinc/49/01/87/362490187.db2.gz ABYHQEFJELOMAN-SNVBAGLBSA-N 1 2 235.287 0.655 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCO1 ZINC000290514416 537852032 /nfs/dbraw/zinc/85/20/32/537852032.db2.gz IUIXPTCGTSWVMG-JTQLQIEISA-N 1 2 238.291 0.398 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000625999420 344661005 /nfs/dbraw/zinc/66/10/05/344661005.db2.gz RUSALICWQZVPLJ-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000625999420 344661006 /nfs/dbraw/zinc/66/10/06/344661006.db2.gz RUSALICWQZVPLJ-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@H](CCF)C1 ZINC000626002077 344662317 /nfs/dbraw/zinc/66/23/17/344662317.db2.gz FVLKBLWQHIGUNC-LLVKDONJSA-N 1 2 227.283 0.981 20 0 BCADLO O=C1CCCN1CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002291 344662986 /nfs/dbraw/zinc/66/29/86/344662986.db2.gz KFNCBRPKYLYNCN-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO O=C1CCCN1CC[N@H+]1CCO[C@H](CCF)C1 ZINC000626002291 344662989 /nfs/dbraw/zinc/66/29/89/344662989.db2.gz KFNCBRPKYLYNCN-LLVKDONJSA-N 1 2 244.310 0.669 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626005267 344667669 /nfs/dbraw/zinc/66/76/69/344667669.db2.gz ZGVFTHSDNZTEHS-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626005267 344667671 /nfs/dbraw/zinc/66/76/71/344667671.db2.gz ZGVFTHSDNZTEHS-GHMZBOCLSA-N 1 2 244.310 0.668 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000049372452 344639738 /nfs/dbraw/zinc/63/97/38/344639738.db2.gz RVGGFDCOBNQLGM-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026884 344679551 /nfs/dbraw/zinc/67/95/51/344679551.db2.gz CIQKQWQPAPCFGJ-LLVKDONJSA-N 1 2 232.283 0.639 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCc2c(O)cccc2C1 ZINC000626026884 344679552 /nfs/dbraw/zinc/67/95/52/344679552.db2.gz CIQKQWQPAPCFGJ-LLVKDONJSA-N 1 2 232.283 0.639 20 0 BCADLO CCc1nc(C[NH+](CCO)CCO)cs1 ZINC000050103292 344719931 /nfs/dbraw/zinc/71/99/31/344719931.db2.gz FFULKQKCBBRBTN-UHFFFAOYSA-N 1 2 230.333 0.492 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C[C@H]1C[C@@H](O)C1 ZINC000626042398 344693454 /nfs/dbraw/zinc/69/34/54/344693454.db2.gz CXMPKHFMTFHGOZ-WAAGHKOSSA-N 1 2 237.307 0.211 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C[C@H]1C[C@@H](O)C1 ZINC000626042398 344693457 /nfs/dbraw/zinc/69/34/57/344693457.db2.gz CXMPKHFMTFHGOZ-WAAGHKOSSA-N 1 2 237.307 0.211 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046783 344697623 /nfs/dbraw/zinc/69/76/23/344697623.db2.gz RCDWMKDGRJKWJU-DTORHVGOSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046783 344697625 /nfs/dbraw/zinc/69/76/25/344697625.db2.gz RCDWMKDGRJKWJU-DTORHVGOSA-N 1 2 210.281 0.316 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000049956462 344704202 /nfs/dbraw/zinc/70/42/02/344704202.db2.gz ACTPUXAONPLEGN-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)C2)o1 ZINC000049956462 344704204 /nfs/dbraw/zinc/70/42/04/344704204.db2.gz ACTPUXAONPLEGN-MRVPVSSYSA-N 1 2 211.265 0.589 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CC[NH+](CCCF)CC1 ZINC000626070070 344714709 /nfs/dbraw/zinc/71/47/09/344714709.db2.gz YJBMTDLJPODEMB-LBPRGKRZSA-N 1 2 246.326 0.304 20 0 BCADLO COC(=O)C[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000050047737 344717005 /nfs/dbraw/zinc/71/70/05/344717005.db2.gz XDYPDPSAXDQMKY-LLVKDONJSA-N 1 2 231.292 0.634 20 0 BCADLO COC(=O)C[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000050047737 344717007 /nfs/dbraw/zinc/71/70/07/344717007.db2.gz XDYPDPSAXDQMKY-LLVKDONJSA-N 1 2 231.292 0.634 20 0 BCADLO COC(=O)C[N@H+](C)CCO[C@H]1CCCCO1 ZINC000050047739 344717125 /nfs/dbraw/zinc/71/71/25/344717125.db2.gz XDYPDPSAXDQMKY-NSHDSACASA-N 1 2 231.292 0.634 20 0 BCADLO COC(=O)C[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000050047739 344717126 /nfs/dbraw/zinc/71/71/26/344717126.db2.gz XDYPDPSAXDQMKY-NSHDSACASA-N 1 2 231.292 0.634 20 0 BCADLO COC(=O)C(C)(C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC000609417617 344719175 /nfs/dbraw/zinc/71/91/75/344719175.db2.gz STHUGQHTJPRDDL-UHFFFAOYSA-N 1 2 238.287 0.427 20 0 BCADLO CN(Cc1[nH+]ccn1C)C[C@@H]1CN(C)C(=O)O1 ZINC000496176423 530027458 /nfs/dbraw/zinc/02/74/58/530027458.db2.gz CKASPTQZVKEJAQ-SECBINFHSA-N 1 2 238.291 0.303 20 0 BCADLO Cn1cccc1CNC(=O)CCn1cc[nH+]c1 ZINC000075355105 344774566 /nfs/dbraw/zinc/77/45/66/344774566.db2.gz GGLLMAZRSGYPOC-UHFFFAOYSA-N 1 2 232.287 0.928 20 0 BCADLO CC(=O)NCC[N@@H+](C)CC(=O)c1cccn1C ZINC000308285340 347071524 /nfs/dbraw/zinc/07/15/24/347071524.db2.gz DCHJCUKQOFJZBU-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CC(=O)NCC[N@H+](C)CC(=O)c1cccn1C ZINC000308285340 347071525 /nfs/dbraw/zinc/07/15/25/347071525.db2.gz DCHJCUKQOFJZBU-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCOCC1 ZINC000075848589 344785535 /nfs/dbraw/zinc/78/55/35/344785535.db2.gz AGBXZVUPENCZJG-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO Cc1c[nH]c(CN2CCC[C@H]2C(=O)NC2CC2)[nH+]1 ZINC000628140811 344803456 /nfs/dbraw/zinc/80/34/56/344803456.db2.gz YTKKNEWLUPSUDR-NSHDSACASA-N 1 2 248.330 0.961 20 0 BCADLO Nc1[nH+]cccc1CSCCc1nn[nH]n1 ZINC000603341812 349919408 /nfs/dbraw/zinc/91/94/08/349919408.db2.gz RNPSHBFZWDOYRB-UHFFFAOYSA-N 1 2 236.304 0.653 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cccnc1 ZINC000588935589 344811114 /nfs/dbraw/zinc/81/11/14/344811114.db2.gz BSRUDDXTGSNIBM-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cccnc1 ZINC000588935589 344811116 /nfs/dbraw/zinc/81/11/16/344811116.db2.gz BSRUDDXTGSNIBM-UHFFFAOYSA-N 1 2 221.304 0.992 20 0 BCADLO C[C@@H](Nc1cc[nH+]cc1F)c1ncnn1C ZINC000641547442 362495260 /nfs/dbraw/zinc/49/52/60/362495260.db2.gz PFUMVNTZVVKXSB-SSDOTTSWSA-N 1 2 221.239 0.944 20 0 BCADLO NC(=O)CN1CC[NH+](CCC(F)(F)F)CC1 ZINC000077271519 344814420 /nfs/dbraw/zinc/81/44/20/344814420.db2.gz KLFUGVNISIDKKD-UHFFFAOYSA-N 1 2 239.241 0.042 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cnn(C)c1 ZINC000077318349 344816592 /nfs/dbraw/zinc/81/65/92/344816592.db2.gz IQANVJLVCGPRKO-LLVKDONJSA-N 1 2 236.319 0.173 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cnn(C)c1 ZINC000077318349 344816593 /nfs/dbraw/zinc/81/65/93/344816593.db2.gz IQANVJLVCGPRKO-LLVKDONJSA-N 1 2 236.319 0.173 20 0 BCADLO CCNC(=O)CN(C)Cc1[nH]cc(C)[nH+]1 ZINC000628148885 344835765 /nfs/dbraw/zinc/83/57/65/344835765.db2.gz CUMZRVDOHUSCKW-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000078269021 344839884 /nfs/dbraw/zinc/83/98/84/344839884.db2.gz QWFJJRHORKTTRO-GFCCVEGCSA-N 1 2 249.314 0.728 20 0 BCADLO CCc1cc(N[C@H](CO)COC)nc[nH+]1 ZINC000234141811 537864421 /nfs/dbraw/zinc/86/44/21/537864421.db2.gz RCDKSVIWDYAFGM-SECBINFHSA-N 1 2 211.265 0.458 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@H](O)C1)CC2 ZINC000628156738 344848899 /nfs/dbraw/zinc/84/88/99/344848899.db2.gz BGRGPGTUGVXTNZ-DCAQKATOSA-N 1 2 249.314 0.393 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@H](O)C1)CC2 ZINC000628156739 344849132 /nfs/dbraw/zinc/84/91/32/344849132.db2.gz BGRGPGTUGVXTNZ-GMTAPVOTSA-N 1 2 249.314 0.393 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)[C@@H]2C)[nH+]c1C ZINC000628158304 344853646 /nfs/dbraw/zinc/85/36/46/344853646.db2.gz KLJVNEWLRDJMOZ-VIFPVBQESA-N 1 2 222.292 0.347 20 0 BCADLO Cc1nnc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)s1 ZINC000518765172 323078435 /nfs/dbraw/zinc/07/84/35/323078435.db2.gz NOYWDYNKJVYBIX-LURJTMIESA-N 1 2 240.332 0.715 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628162900 344861660 /nfs/dbraw/zinc/86/16/60/344861660.db2.gz IIUFEBRGIJUOQC-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628162900 344861662 /nfs/dbraw/zinc/86/16/62/344861662.db2.gz IIUFEBRGIJUOQC-UHFFFAOYSA-N 1 2 210.281 0.286 20 0 BCADLO CC[C@H]1C(=O)NCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628162813 344861664 /nfs/dbraw/zinc/86/16/64/344861664.db2.gz FNCQIBNDHCWDMY-VIFPVBQESA-N 1 2 222.292 0.429 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000349339390 534975212 /nfs/dbraw/zinc/97/52/12/534975212.db2.gz CBVIFUQBTXHSNZ-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000349339390 534975215 /nfs/dbraw/zinc/97/52/15/534975215.db2.gz CBVIFUQBTXHSNZ-NSHDSACASA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000349339389 534975336 /nfs/dbraw/zinc/97/53/36/534975336.db2.gz CBVIFUQBTXHSNZ-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO CC(C)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000349339389 534975341 /nfs/dbraw/zinc/97/53/41/534975341.db2.gz CBVIFUQBTXHSNZ-LLVKDONJSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000628178915 344913315 /nfs/dbraw/zinc/91/33/15/344913315.db2.gz IHKJOZJPPVUDAW-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000628178915 344913317 /nfs/dbraw/zinc/91/33/17/344913317.db2.gz IHKJOZJPPVUDAW-UHFFFAOYSA-N 1 2 227.308 0.141 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628186706 344936609 /nfs/dbraw/zinc/93/66/09/344936609.db2.gz UBTUAIYXVYGHDP-JTQLQIEISA-N 1 2 236.319 0.819 20 0 BCADLO C[C@@H](O)[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000665739981 537875603 /nfs/dbraw/zinc/87/56/03/537875603.db2.gz SMAQZGQYBNMSEB-RKDXNWHRSA-N 1 2 239.319 0.928 20 0 BCADLO CCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408260794 344962126 /nfs/dbraw/zinc/96/21/26/344962126.db2.gz YKHBFERNIPXISS-UHFFFAOYSA-N 1 2 241.335 0.195 20 0 BCADLO Cc1ncc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000628189904 344942417 /nfs/dbraw/zinc/94/24/17/344942417.db2.gz PSUZUYVXAANIHL-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1ncc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000628189904 344942419 /nfs/dbraw/zinc/94/24/19/344942419.db2.gz PSUZUYVXAANIHL-SECBINFHSA-N 1 2 236.275 0.192 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154077406 345011103 /nfs/dbraw/zinc/01/11/03/345011103.db2.gz NXUJKYWYCQXPCT-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154077406 345011104 /nfs/dbraw/zinc/01/11/04/345011104.db2.gz NXUJKYWYCQXPCT-SECBINFHSA-N 1 2 213.277 0.803 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000660832990 537883881 /nfs/dbraw/zinc/88/38/81/537883881.db2.gz JAJOVAQAQDEBDV-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000660832990 537883886 /nfs/dbraw/zinc/88/38/86/537883886.db2.gz JAJOVAQAQDEBDV-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC(=O)N1C ZINC000641554413 362499340 /nfs/dbraw/zinc/49/93/40/362499340.db2.gz HISJLCSOSUVPII-SECBINFHSA-N 1 2 235.287 0.241 20 0 BCADLO COC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000408273984 345010573 /nfs/dbraw/zinc/01/05/73/345010573.db2.gz IFEFOCYRCSJGLB-QMMMGPOBSA-N 1 2 225.296 0.382 20 0 BCADLO CC(C)(O)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000408287938 345049049 /nfs/dbraw/zinc/04/90/49/345049049.db2.gz UPSHAXSIEBAUNL-UHFFFAOYSA-N 1 2 223.276 0.386 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCO1 ZINC000154787612 345050407 /nfs/dbraw/zinc/05/04/07/345050407.db2.gz ZUQJXOCBWLBFRR-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCO1 ZINC000154787612 345050410 /nfs/dbraw/zinc/05/04/10/345050410.db2.gz ZUQJXOCBWLBFRR-GFCCVEGCSA-N 1 2 249.314 0.337 20 0 BCADLO CCc1nc(C(=O)NCCn2cc[nH+]c2)co1 ZINC000154573600 345044198 /nfs/dbraw/zinc/04/41/98/345044198.db2.gz SZRJILPAJOEKOM-UHFFFAOYSA-N 1 2 234.259 0.864 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2[nH+]ccn2C)CO1 ZINC000408298805 345078006 /nfs/dbraw/zinc/07/80/06/345078006.db2.gz QVLWHQNPRRGXKO-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO CC(C)NC(=O)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641636971 362568460 /nfs/dbraw/zinc/56/84/60/362568460.db2.gz VJGXDGHGMVLTRM-SECBINFHSA-N 1 2 237.303 0.899 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641649186 362575593 /nfs/dbraw/zinc/57/55/93/362575593.db2.gz BVPCZTXJGMPTRJ-DTORHVGOSA-N 1 2 221.260 0.250 20 0 BCADLO COC[C@H]1C[C@@H](O)CN1c1cc[nH+]cc1F ZINC000641649477 362576337 /nfs/dbraw/zinc/57/63/37/362576337.db2.gz FVHHSJJBUWYENO-RKDXNWHRSA-N 1 2 226.251 0.807 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC000156073147 345122844 /nfs/dbraw/zinc/12/28/44/345122844.db2.gz DIINVANSVOBXQB-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC000156073147 345122846 /nfs/dbraw/zinc/12/28/46/345122846.db2.gz DIINVANSVOBXQB-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO O=C1NCCC[C@H]1CNc1cc[nH+]cc1F ZINC000641629950 362560442 /nfs/dbraw/zinc/56/04/42/362560442.db2.gz ORJJSDMGYQSTEL-QMMMGPOBSA-N 1 2 223.251 0.581 20 0 BCADLO O=C1CC[C@@H](Nc2cc(CO)cc[nH+]2)CCN1 ZINC000641633520 362561983 /nfs/dbraw/zinc/56/19/83/362561983.db2.gz DKZUNCOSSFSQHZ-SNVBAGLBSA-N 1 2 235.287 0.655 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641632925 362563757 /nfs/dbraw/zinc/56/37/57/362563757.db2.gz ONDSNYCPRHTGGN-WDEREUQCSA-N 1 2 240.303 0.508 20 0 BCADLO C[C@H](O)[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641638372 362566441 /nfs/dbraw/zinc/56/64/41/362566441.db2.gz OXMMXLYYUGBCCJ-KWQFWETISA-N 1 2 226.251 0.807 20 0 BCADLO C[C@@H](O)[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641638373 362566473 /nfs/dbraw/zinc/56/64/73/362566473.db2.gz OXMMXLYYUGBCCJ-LDYMZIIASA-N 1 2 226.251 0.807 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ccon2)CS1(=O)=O ZINC000634985830 345164855 /nfs/dbraw/zinc/16/48/55/345164855.db2.gz DPWMBWPQAMVXPN-PSASIEDQSA-N 1 2 244.316 0.730 20 0 BCADLO Cc1nc(N2CCC[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000408327436 345171580 /nfs/dbraw/zinc/17/15/80/345171580.db2.gz DCBMBSYHNRLBCY-VIFPVBQESA-N 1 2 237.307 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC[C@H](O)C2)[nH+]1 ZINC000408327436 345171584 /nfs/dbraw/zinc/17/15/84/345171584.db2.gz DCBMBSYHNRLBCY-VIFPVBQESA-N 1 2 237.307 0.207 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316963 345141491 /nfs/dbraw/zinc/14/14/91/345141491.db2.gz DWEQGKHGQFVLHQ-RKDXNWHRSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)NC1CC1 ZINC000408316963 345141495 /nfs/dbraw/zinc/14/14/95/345141495.db2.gz DWEQGKHGQFVLHQ-RKDXNWHRSA-N 1 2 247.364 0.008 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)Cc1ccn(C)n1 ZINC000561631704 345160167 /nfs/dbraw/zinc/16/01/67/345160167.db2.gz KDKYDZPJKHLHMV-UHFFFAOYSA-N 1 2 244.298 0.981 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCCn1cc[nH+]c1 ZINC000635067200 345235782 /nfs/dbraw/zinc/23/57/82/345235782.db2.gz MPIMVUOLFGHBLR-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO C[C@H](C[S@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603333099 349925800 /nfs/dbraw/zinc/92/58/00/349925800.db2.gz CZGBJTQRPOJUHR-GLEZIHRCSA-N 1 2 228.317 0.753 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158306813 345319347 /nfs/dbraw/zinc/31/93/47/345319347.db2.gz HFZGSKPJFVAEDX-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCCC2)C1 ZINC000158306813 345319350 /nfs/dbraw/zinc/31/93/50/345319350.db2.gz HFZGSKPJFVAEDX-VIFPVBQESA-N 1 2 212.293 0.505 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1cnn[nH]1 ZINC000626112298 345280775 /nfs/dbraw/zinc/28/07/75/345280775.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1cnn[nH]1 ZINC000626112298 345280776 /nfs/dbraw/zinc/28/07/76/345280776.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1c[nH]nn1 ZINC000626112298 345280777 /nfs/dbraw/zinc/28/07/77/345280777.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1c[nH]nn1 ZINC000626112298 345280778 /nfs/dbraw/zinc/28/07/78/345280778.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO CCC(O)(CC)C[N@H+](C)Cc1cn[nH]n1 ZINC000626112298 345280779 /nfs/dbraw/zinc/28/07/79/345280779.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO CCC(O)(CC)C[N@@H+](C)Cc1cn[nH]n1 ZINC000626112298 345280780 /nfs/dbraw/zinc/28/07/80/345280780.db2.gz VPDVWBKNOMQSJY-UHFFFAOYSA-N 1 2 212.297 0.788 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000635326852 345308325 /nfs/dbraw/zinc/30/83/25/345308325.db2.gz MBAOBBPERGRYBF-QMMMGPOBSA-N 1 2 233.275 0.733 20 0 BCADLO CCCCOCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000158577927 345351090 /nfs/dbraw/zinc/35/10/90/345351090.db2.gz AYIGDXKAVXEJOT-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000158577927 345351093 /nfs/dbraw/zinc/35/10/93/345351093.db2.gz AYIGDXKAVXEJOT-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635427759 345364101 /nfs/dbraw/zinc/36/41/01/345364101.db2.gz BYVOCXYRLUOOCW-IVZWLZJFSA-N 1 2 237.303 0.912 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635427759 345364102 /nfs/dbraw/zinc/36/41/02/345364102.db2.gz BYVOCXYRLUOOCW-IVZWLZJFSA-N 1 2 237.303 0.912 20 0 BCADLO CC(F)(F)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000307321772 345452721 /nfs/dbraw/zinc/45/27/21/345452721.db2.gz QZGSFOUYGODACX-SSDOTTSWSA-N 1 2 227.276 0.808 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 ZINC000425279422 192088232 /nfs/dbraw/zinc/08/82/32/192088232.db2.gz FUBOZQCJZKWQNU-DJLDLDEBSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H]2O)[nH+]cn1 ZINC000425279422 192088234 /nfs/dbraw/zinc/08/82/34/192088234.db2.gz FUBOZQCJZKWQNU-DJLDLDEBSA-N 1 2 238.291 0.205 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000300240194 345433553 /nfs/dbraw/zinc/43/35/53/345433553.db2.gz WALLTWIFSWIBJX-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000300240194 345433555 /nfs/dbraw/zinc/43/35/55/345433555.db2.gz WALLTWIFSWIBJX-QWRGUYRKSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C(N)=O)[nH+]1 ZINC000080945610 345454274 /nfs/dbraw/zinc/45/42/74/345454274.db2.gz XIZUXADGDSXAPW-YFKPBYRVSA-N 1 2 219.248 0.552 20 0 BCADLO Cc1nc[nH]c1C(=O)NCc1[nH+]ccn1C ZINC000635494033 345397685 /nfs/dbraw/zinc/39/76/85/345397685.db2.gz AKEIYAUQMOKLRE-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO CCC(=O)N1CCC([NH2+][C@H](C)C(=O)OC)CC1 ZINC000619434186 345490310 /nfs/dbraw/zinc/49/03/10/345490310.db2.gz OSFCGTUIJCJYRD-SECBINFHSA-N 1 2 242.319 0.539 20 0 BCADLO CCn1nncc1CNc1cc(CO)cc[nH+]1 ZINC000641675718 362595891 /nfs/dbraw/zinc/59/58/91/362595891.db2.gz CAKWUIRBTPOQNC-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO Cc1nc(N2CC([C@H](C)O)C2)nc(N(C)C)[nH+]1 ZINC000641659321 362584297 /nfs/dbraw/zinc/58/42/97/362584297.db2.gz PNFOVZNRPDGLDK-ZETCQYMHSA-N 1 2 237.307 0.063 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC([C@H](C)O)C2)[nH+]1 ZINC000641659321 362584303 /nfs/dbraw/zinc/58/43/03/362584303.db2.gz PNFOVZNRPDGLDK-ZETCQYMHSA-N 1 2 237.307 0.063 20 0 BCADLO CN1C[C@@H](CNc2cc[nH+]cc2F)CC1=O ZINC000641660434 362587717 /nfs/dbraw/zinc/58/77/17/362587717.db2.gz AYZZPQJMWCECOR-MRVPVSSYSA-N 1 2 223.251 0.533 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085146 345464643 /nfs/dbraw/zinc/46/46/43/345464643.db2.gz NOSVMSYMSLEMLY-POYBYMJQSA-N 1 2 240.225 0.249 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085146 345464645 /nfs/dbraw/zinc/46/46/45/345464645.db2.gz NOSVMSYMSLEMLY-POYBYMJQSA-N 1 2 240.225 0.249 20 0 BCADLO CC(C)[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081292460 345469139 /nfs/dbraw/zinc/46/91/39/345469139.db2.gz JSPOXLAARWTILT-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081292460 345469140 /nfs/dbraw/zinc/46/91/40/345469140.db2.gz JSPOXLAARWTILT-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1nccn2ccnc12 ZINC000081385806 345472647 /nfs/dbraw/zinc/47/26/47/345472647.db2.gz XBTNZDPVWKFYME-UHFFFAOYSA-N 1 2 242.242 0.382 20 0 BCADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)C1 ZINC000089263106 345552074 /nfs/dbraw/zinc/55/20/74/345552074.db2.gz ZLGQRPGZTMPVFL-DTWKUNHWSA-N 1 2 224.308 0.966 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)C1 ZINC000089263106 345552075 /nfs/dbraw/zinc/55/20/75/345552075.db2.gz ZLGQRPGZTMPVFL-DTWKUNHWSA-N 1 2 224.308 0.966 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580151 345598299 /nfs/dbraw/zinc/59/82/99/345598299.db2.gz NRYZMZBJHLTQNZ-BDAKNGLRSA-N 1 2 240.307 0.223 20 0 BCADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580151 345598303 /nfs/dbraw/zinc/59/83/03/345598303.db2.gz NRYZMZBJHLTQNZ-BDAKNGLRSA-N 1 2 240.307 0.223 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580148 345598375 /nfs/dbraw/zinc/59/83/75/345598375.db2.gz NRYZMZBJHLTQNZ-IUCAKERBSA-N 1 2 240.307 0.223 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580148 345598377 /nfs/dbraw/zinc/59/83/77/345598377.db2.gz NRYZMZBJHLTQNZ-IUCAKERBSA-N 1 2 240.307 0.223 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000091579306 345598828 /nfs/dbraw/zinc/59/88/28/345598828.db2.gz RNUCUUOCCBHFBZ-NKWVEPMBSA-N 1 2 228.321 0.424 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000091579306 345598832 /nfs/dbraw/zinc/59/88/32/345598832.db2.gz RNUCUUOCCBHFBZ-NKWVEPMBSA-N 1 2 228.321 0.424 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000091581439 345599152 /nfs/dbraw/zinc/59/91/52/345599152.db2.gz APVVOUCXBDNMGM-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000091581439 345599154 /nfs/dbraw/zinc/59/91/54/345599154.db2.gz APVVOUCXBDNMGM-HTQZYQBOSA-N 1 2 210.281 0.718 20 0 BCADLO CCCc1[nH+]ccn1Cc1n[nH]c(=O)[nH]1 ZINC000091588600 345599661 /nfs/dbraw/zinc/59/96/61/345599661.db2.gz INKUKUMNCCAUJN-UHFFFAOYSA-N 1 2 207.237 0.708 20 0 BCADLO C[C@@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000091589280 345600095 /nfs/dbraw/zinc/60/00/95/345600095.db2.gz LWIZGFQYGXXZQM-BDAKNGLRSA-N 1 2 239.323 0.013 20 0 BCADLO C[C@@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000091589280 345600097 /nfs/dbraw/zinc/60/00/97/345600097.db2.gz LWIZGFQYGXXZQM-BDAKNGLRSA-N 1 2 239.323 0.013 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042453 345614575 /nfs/dbraw/zinc/61/45/75/345614575.db2.gz HWBBWKCRLYPOAR-GXFFZTMASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042453 345614577 /nfs/dbraw/zinc/61/45/77/345614577.db2.gz HWBBWKCRLYPOAR-GXFFZTMASA-N 1 2 236.315 0.972 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000635551605 345631793 /nfs/dbraw/zinc/63/17/93/345631793.db2.gz OMZDNDNVOSCION-SECBINFHSA-N 1 2 225.292 0.823 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ncccc1C ZINC000093158926 345657610 /nfs/dbraw/zinc/65/76/10/345657610.db2.gz CKOUNSZNCLQHQI-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ncccc1C ZINC000093158926 345657612 /nfs/dbraw/zinc/65/76/12/345657612.db2.gz CKOUNSZNCLQHQI-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2cccnn2)C1 ZINC000082669155 345664128 /nfs/dbraw/zinc/66/41/28/345664128.db2.gz NWOMJTSGJBDNHC-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2cccnn2)C1 ZINC000082669155 345664131 /nfs/dbraw/zinc/66/41/31/345664131.db2.gz NWOMJTSGJBDNHC-SNVBAGLBSA-N 1 2 221.308 0.134 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)Cc1c[nH+]cn1C ZINC000622628513 345668349 /nfs/dbraw/zinc/66/83/49/345668349.db2.gz ZLZDVHBJTROOAH-VIFPVBQESA-N 1 2 225.292 0.192 20 0 BCADLO Cc1cc(NC(=O)CCCc2nn[nH]n2)cc[nH+]1 ZINC000635552812 345642440 /nfs/dbraw/zinc/64/24/40/345642440.db2.gz VSJSBJPSMNEHSX-UHFFFAOYSA-N 1 2 246.274 0.286 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC000641711474 362621794 /nfs/dbraw/zinc/62/17/94/362621794.db2.gz CZHDSWZTZQFPMJ-UFBFGSQYSA-N 1 2 230.271 0.837 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2c[nH]nc2C)C1 ZINC000093888283 345667239 /nfs/dbraw/zinc/66/72/39/345667239.db2.gz WWKSRVOPPVQBIP-LLVKDONJSA-N 1 2 241.266 0.805 20 0 BCADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000093888283 345667240 /nfs/dbraw/zinc/66/72/40/345667240.db2.gz WWKSRVOPPVQBIP-LLVKDONJSA-N 1 2 241.266 0.805 20 0 BCADLO COCc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)no1 ZINC000641712164 362623792 /nfs/dbraw/zinc/62/37/92/362623792.db2.gz BVBRCVAIUXNRSA-SECBINFHSA-N 1 2 239.275 0.141 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)no1 ZINC000093332862 345652811 /nfs/dbraw/zinc/65/28/11/345652811.db2.gz WMFSZVZKZAODTK-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)no1 ZINC000093332862 345652812 /nfs/dbraw/zinc/65/28/12/345652812.db2.gz WMFSZVZKZAODTK-VXNVDRBHSA-N 1 2 211.265 0.581 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000389590115 537905937 /nfs/dbraw/zinc/90/59/37/537905937.db2.gz ABFLSQBLZFJXOY-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000389590115 537905943 /nfs/dbraw/zinc/90/59/43/537905943.db2.gz ABFLSQBLZFJXOY-HTQZYQBOSA-N 1 2 211.265 0.587 20 0 BCADLO CO[C@@H](CS(=O)(=O)Nc1c[nH+]c[nH]1)C1CC1 ZINC000563136502 323094820 /nfs/dbraw/zinc/09/48/20/323094820.db2.gz UQHJJYDJLWZEJZ-QMMMGPOBSA-N 1 2 245.304 0.576 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000221854641 345747556 /nfs/dbraw/zinc/74/75/56/345747556.db2.gz FXPSSBQHTMXOHM-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO OCCC[NH+]1CC(O)(c2ccccc2)C1 ZINC000147398426 345711130 /nfs/dbraw/zinc/71/11/30/345711130.db2.gz WUGFBSDMXAIOJS-UHFFFAOYSA-N 1 2 207.273 0.572 20 0 BCADLO CO[C@H]1CN(c2cccc[nH+]2)C[C@@H]1OC ZINC000148769099 345720224 /nfs/dbraw/zinc/72/02/24/345720224.db2.gz BELJBTMJCWCPBR-UWVGGRQHSA-N 1 2 208.261 0.932 20 0 BCADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000200163542 345728003 /nfs/dbraw/zinc/72/80/03/345728003.db2.gz OKJIZACCHSUYPL-IUCAKERBSA-N 1 2 200.282 0.217 20 0 BCADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000200163542 345728006 /nfs/dbraw/zinc/72/80/06/345728006.db2.gz OKJIZACCHSUYPL-IUCAKERBSA-N 1 2 200.282 0.217 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000135050684 345761727 /nfs/dbraw/zinc/76/17/27/345761727.db2.gz JWJNAHYCZYQBHW-UHFFFAOYSA-N 1 2 244.298 0.949 20 0 BCADLO NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000083890284 133564684 /nfs/dbraw/zinc/56/46/84/133564684.db2.gz UZJPAVRJCSMGMZ-UHFFFAOYSA-N 1 2 210.199 0.746 20 0 BCADLO Cc1cc(CNC(=O)NCCn2cc[nH+]c2)on1 ZINC000139645961 345800076 /nfs/dbraw/zinc/80/00/76/345800076.db2.gz DLIWGEMCDVSCNV-UHFFFAOYSA-N 1 2 249.274 0.679 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C2CCC2)c1 ZINC000622685960 345802399 /nfs/dbraw/zinc/80/23/99/345802399.db2.gz SAILIYNCOCLKJH-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO CO[C@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000622685926 345802529 /nfs/dbraw/zinc/80/25/29/345802529.db2.gz QHKLARZEDYBPAT-NSHDSACASA-N 1 2 239.319 0.750 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)C(C)(C)C ZINC000588969438 345837062 /nfs/dbraw/zinc/83/70/62/345837062.db2.gz GBBKLEGZLDLEMP-GUBZILKMSA-N 1 2 247.310 0.979 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)C(C)(C)C ZINC000588969438 345837064 /nfs/dbraw/zinc/83/70/64/345837064.db2.gz GBBKLEGZLDLEMP-GUBZILKMSA-N 1 2 247.310 0.979 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC2(O)CCC2)[nH+]1 ZINC000635588855 345883104 /nfs/dbraw/zinc/88/31/04/345883104.db2.gz JUNUJBJKWCKUKX-UHFFFAOYSA-N 1 2 237.303 0.546 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000635590237 345884024 /nfs/dbraw/zinc/88/40/24/345884024.db2.gz SXOVHZARZFPVRM-SECBINFHSA-N 1 2 225.292 0.823 20 0 BCADLO CCC(C)(C)[C@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000635590237 345884026 /nfs/dbraw/zinc/88/40/26/345884026.db2.gz SXOVHZARZFPVRM-SECBINFHSA-N 1 2 225.292 0.823 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)Cn1cc[nH+]c1 ZINC000635592043 345885020 /nfs/dbraw/zinc/88/50/20/345885020.db2.gz IVENBTDRTGXNHR-GARJFASQSA-N 1 2 237.303 0.406 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nc[nH]n1 ZINC000635631585 345906804 /nfs/dbraw/zinc/90/68/04/345906804.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nc[nH]n1 ZINC000635631585 345906808 /nfs/dbraw/zinc/90/68/08/345906808.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnc[nH]1 ZINC000635631585 345906811 /nfs/dbraw/zinc/90/68/11/345906811.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 1 2 237.307 0.466 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nnc[nH]1 ZINC000635631585 345906814 /nfs/dbraw/zinc/90/68/14/345906814.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 1 2 237.307 0.466 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@H](O)C2)[nH+]1 ZINC000635642341 345916656 /nfs/dbraw/zinc/91/66/56/345916656.db2.gz OPXZBWLHUCGKPG-VIFPVBQESA-N 1 2 223.276 0.108 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000166947536 345963624 /nfs/dbraw/zinc/96/36/24/345963624.db2.gz QMPKSBZHBTTWLP-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](CC)C1 ZINC000166947536 345963627 /nfs/dbraw/zinc/96/36/27/345963627.db2.gz QMPKSBZHBTTWLP-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000635658177 345938284 /nfs/dbraw/zinc/93/82/84/345938284.db2.gz CREVBAILJNPAFV-PHIMTYICSA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000635658177 345938285 /nfs/dbraw/zinc/93/82/85/345938285.db2.gz CREVBAILJNPAFV-PHIMTYICSA-N 1 2 249.314 0.887 20 0 BCADLO CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)c1nn[nH]n1 ZINC000635659390 345938297 /nfs/dbraw/zinc/93/82/97/345938297.db2.gz NVBXJGCEYUHURV-SFYZADRCSA-N 1 2 240.311 0.107 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(C)(CO)C1 ZINC000565371839 323100749 /nfs/dbraw/zinc/10/07/49/323100749.db2.gz KGENTQOTXSZZHI-UHFFFAOYSA-N 1 2 207.277 0.912 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635681721 345975766 /nfs/dbraw/zinc/97/57/66/345975766.db2.gz NLJBQPZGMMXRMW-KKZNHRDASA-N 1 2 235.287 0.400 20 0 BCADLO O=C(NC[C@H](O)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635681721 345975770 /nfs/dbraw/zinc/97/57/70/345975770.db2.gz NLJBQPZGMMXRMW-KKZNHRDASA-N 1 2 235.287 0.400 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@H](O)C2CC2)[nH+]1 ZINC000635682087 345976226 /nfs/dbraw/zinc/97/62/26/345976226.db2.gz QBYFSURXMKDVEH-JTQLQIEISA-N 1 2 237.303 0.402 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](O)C(C)C)[nH+]1 ZINC000635692942 345978106 /nfs/dbraw/zinc/97/81/06/345978106.db2.gz GQFJMIJCYOCCPW-SNVBAGLBSA-N 1 2 239.319 0.648 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635693642 345978709 /nfs/dbraw/zinc/97/87/09/345978709.db2.gz KKXAZMLJYFFARJ-FXPVBKGRSA-N 1 2 237.303 0.646 20 0 BCADLO CC(C)[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635693642 345978713 /nfs/dbraw/zinc/97/87/13/345978713.db2.gz KKXAZMLJYFFARJ-FXPVBKGRSA-N 1 2 237.303 0.646 20 0 BCADLO COC(=O)c1[nH]c(C[N@H+](C)CC(N)=O)cc1C ZINC000585726829 345982471 /nfs/dbraw/zinc/98/24/71/345982471.db2.gz VALHMAUDZHGOCB-UHFFFAOYSA-N 1 2 239.275 0.027 20 0 BCADLO COC(=O)c1[nH]c(C[N@@H+](C)CC(N)=O)cc1C ZINC000585726829 345982473 /nfs/dbraw/zinc/98/24/73/345982473.db2.gz VALHMAUDZHGOCB-UHFFFAOYSA-N 1 2 239.275 0.027 20 0 BCADLO CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000202274948 345988307 /nfs/dbraw/zinc/98/83/07/345988307.db2.gz VJVGPFZMGSAUDQ-UHFFFAOYSA-N 1 2 225.336 0.246 20 0 BCADLO CC(C)C[C@H](C(=O)N1CC(O)C1)n1cc[nH+]c1 ZINC000635700938 345989299 /nfs/dbraw/zinc/98/92/99/345989299.db2.gz VJJUHJKQGFZVKU-LLVKDONJSA-N 1 2 237.303 0.673 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC000635742717 346054658 /nfs/dbraw/zinc/05/46/58/346054658.db2.gz HOQUKKGGVOISLM-DNRKLUKYSA-N 1 2 249.314 0.743 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC000635742717 346054661 /nfs/dbraw/zinc/05/46/61/346054661.db2.gz HOQUKKGGVOISLM-DNRKLUKYSA-N 1 2 249.314 0.743 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635739935 346040961 /nfs/dbraw/zinc/04/09/61/346040961.db2.gz UTYZNBHILASQPN-HTQZYQBOSA-N 1 2 223.276 0.400 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635739935 346040963 /nfs/dbraw/zinc/04/09/63/346040963.db2.gz UTYZNBHILASQPN-HTQZYQBOSA-N 1 2 223.276 0.400 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635734314 346043756 /nfs/dbraw/zinc/04/37/56/346043756.db2.gz GEDQFLZULWJKBS-MXWKQRLJSA-N 1 2 249.314 0.507 20 0 BCADLO CC[C@H](NC(=O)[C@H]1C[C@@H](O)C1)c1[nH]cc[nH+]1 ZINC000635806659 346072619 /nfs/dbraw/zinc/07/26/19/346072619.db2.gz JGYYXCOXLGKERB-YIZRAAEISA-N 1 2 223.276 0.748 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635811755 346074633 /nfs/dbraw/zinc/07/46/33/346074633.db2.gz IJQDQRZUXLZFNX-LZDJJOMISA-N 1 2 249.314 0.957 20 0 BCADLO C/C=C/C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635811755 346074636 /nfs/dbraw/zinc/07/46/36/346074636.db2.gz IJQDQRZUXLZFNX-LZDJJOMISA-N 1 2 249.314 0.957 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635820656 346076108 /nfs/dbraw/zinc/07/61/08/346076108.db2.gz QYSPRRSFDZRUPM-YJFSRANCSA-N 1 2 249.314 0.789 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635820656 346076110 /nfs/dbraw/zinc/07/61/10/346076110.db2.gz QYSPRRSFDZRUPM-YJFSRANCSA-N 1 2 249.314 0.789 20 0 BCADLO CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000635820655 346076204 /nfs/dbraw/zinc/07/62/04/346076204.db2.gz QYSPRRSFDZRUPM-OYBPUVFXSA-N 1 2 249.314 0.789 20 0 BCADLO CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000635820655 346076206 /nfs/dbraw/zinc/07/62/06/346076206.db2.gz QYSPRRSFDZRUPM-OYBPUVFXSA-N 1 2 249.314 0.789 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1CCO ZINC000635822627 346078078 /nfs/dbraw/zinc/07/80/78/346078078.db2.gz ZPULCXWYAVQYIL-HBNTYKKESA-N 1 2 249.314 0.887 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1CCO ZINC000635822627 346078080 /nfs/dbraw/zinc/07/80/80/346078080.db2.gz ZPULCXWYAVQYIL-HBNTYKKESA-N 1 2 249.314 0.887 20 0 BCADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CO ZINC000635839218 346082816 /nfs/dbraw/zinc/08/28/16/346082816.db2.gz ZPNNGPBGLRGIMH-XNDJQWLSSA-N 1 2 249.314 0.743 20 0 BCADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CO ZINC000635839218 346082818 /nfs/dbraw/zinc/08/28/18/346082818.db2.gz ZPNNGPBGLRGIMH-XNDJQWLSSA-N 1 2 249.314 0.743 20 0 BCADLO CC(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916972 346064461 /nfs/dbraw/zinc/06/44/61/346064461.db2.gz KXKLPJNSKUZPAQ-UHFFFAOYSA-N 1 2 214.309 0.433 20 0 BCADLO C[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)[NH+](C)C ZINC000635796348 346065609 /nfs/dbraw/zinc/06/56/09/346065609.db2.gz ADYOXMYYZGTJKA-SSDOTTSWSA-N 1 2 237.307 0.961 20 0 BCADLO C[C@H](C(=O)Nc1nnc(C2CCC2)[nH]1)[NH+](C)C ZINC000635796348 346065610 /nfs/dbraw/zinc/06/56/10/346065610.db2.gz ADYOXMYYZGTJKA-SSDOTTSWSA-N 1 2 237.307 0.961 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2nncn2CC)[nH+]1 ZINC000635905835 346109951 /nfs/dbraw/zinc/10/99/51/346109951.db2.gz GZLXKHIAPVSPHP-UHFFFAOYSA-N 1 2 248.290 0.765 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C2CC2)C2COC2)[nH+]1 ZINC000635970988 346128377 /nfs/dbraw/zinc/12/83/77/346128377.db2.gz PGVMJWIFIGUUEA-UHFFFAOYSA-N 1 2 249.314 0.904 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000636033379 346170105 /nfs/dbraw/zinc/17/01/05/346170105.db2.gz ATACBQVBNFUBDU-WVSHTKLVSA-N 1 2 237.303 0.544 20 0 BCADLO Cc1c(NC(=O)[C@@H]2CCCC[N@@H+]2C)nnn1C ZINC000636034929 346171397 /nfs/dbraw/zinc/17/13/97/346171397.db2.gz ODXXMGXIGSXSCB-VIFPVBQESA-N 1 2 237.307 0.546 20 0 BCADLO Cc1c(NC(=O)[C@@H]2CCCC[N@H+]2C)nnn1C ZINC000636034929 346171400 /nfs/dbraw/zinc/17/14/00/346171400.db2.gz ODXXMGXIGSXSCB-VIFPVBQESA-N 1 2 237.307 0.546 20 0 BCADLO CC(C)(NC(=O)[C@H]1C[C@@H](O)C1)c1[nH]cc[nH+]1 ZINC000635998527 346149918 /nfs/dbraw/zinc/14/99/18/346149918.db2.gz PICKVNACKGSMNN-OCAPTIKFSA-N 1 2 223.276 0.532 20 0 BCADLO O=c1ccccn1CCN1CCn2cc[nH+]c2C1 ZINC000586830354 346154538 /nfs/dbraw/zinc/15/45/38/346154538.db2.gz HGRVTYBKAFXSFZ-UHFFFAOYSA-N 1 2 244.298 0.561 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636014875 346156281 /nfs/dbraw/zinc/15/62/81/346156281.db2.gz SHWVAWROOQUEEI-TURQNECASA-N 1 2 235.287 0.543 20 0 BCADLO O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636014875 346156282 /nfs/dbraw/zinc/15/62/82/346156282.db2.gz SHWVAWROOQUEEI-TURQNECASA-N 1 2 235.287 0.543 20 0 BCADLO CSCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051500 346179026 /nfs/dbraw/zinc/17/90/26/346179026.db2.gz OJWVDXAYCAQXNE-MRVPVSSYSA-N 1 2 225.317 0.677 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ccc[nH]1 ZINC000673683788 488303422 /nfs/dbraw/zinc/30/34/22/488303422.db2.gz WUIZXQUTEYAAJY-UHFFFAOYSA-N 1 2 204.233 0.528 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000167033993 346184774 /nfs/dbraw/zinc/18/47/74/346184774.db2.gz FFTGHXPKZAPUCW-GARJFASQSA-N 1 2 243.303 0.164 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000167033993 346184776 /nfs/dbraw/zinc/18/47/76/346184776.db2.gz FFTGHXPKZAPUCW-GARJFASQSA-N 1 2 243.303 0.164 20 0 BCADLO Cc1c[nH]c(CN2C[C@H](CO)O[C@@H](C)C2)[nH+]1 ZINC000628246782 346214254 /nfs/dbraw/zinc/21/42/54/346214254.db2.gz CKDMVWKBVSEERW-VHSXEESVSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1c[nH]c(CN2CCn3cnnc3[C@@H]2C)[nH+]1 ZINC000628251479 346222150 /nfs/dbraw/zinc/22/21/50/346222150.db2.gz ILBVXSBTLUZJOP-VIFPVBQESA-N 1 2 232.291 0.886 20 0 BCADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CCNC1=O ZINC000628261913 346260996 /nfs/dbraw/zinc/26/09/96/346260996.db2.gz PCVIPLKPOXDDAE-JTQLQIEISA-N 1 2 236.319 0.737 20 0 BCADLO COCc1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000679129943 488311836 /nfs/dbraw/zinc/31/18/36/488311836.db2.gz DMTFBLGISHICIF-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO COCc1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000679129943 488311840 /nfs/dbraw/zinc/31/18/40/488311840.db2.gz DMTFBLGISHICIF-UHFFFAOYSA-N 1 2 241.291 0.563 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@H](C)CCO)[nH+]1 ZINC000636127938 346328299 /nfs/dbraw/zinc/32/82/99/346328299.db2.gz PEHXBOFLPVJEGK-SECBINFHSA-N 1 2 239.319 0.744 20 0 BCADLO C[C@H](O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000636142178 346332032 /nfs/dbraw/zinc/33/20/32/346332032.db2.gz GIEBFOTZGDIICM-JMJZKYOTSA-N 1 2 249.314 0.885 20 0 BCADLO C[C@H](O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000636142178 346332033 /nfs/dbraw/zinc/33/20/33/346332033.db2.gz GIEBFOTZGDIICM-JMJZKYOTSA-N 1 2 249.314 0.885 20 0 BCADLO CC[C@H](O)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000636102947 346319847 /nfs/dbraw/zinc/31/98/47/346319847.db2.gz ZSFBKDGIGHKNQX-KOLCDFICSA-N 1 2 237.303 0.475 20 0 BCADLO CC1(O)CC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000636102490 346319923 /nfs/dbraw/zinc/31/99/23/346319923.db2.gz OZXXZKRHZVGONG-QUNCOHTASA-N 1 2 249.314 0.475 20 0 BCADLO CCc1nnc(C[NH2+]Cc2ccncc2N)[nH]1 ZINC000641757555 362686734 /nfs/dbraw/zinc/68/67/34/362686734.db2.gz YMGDPCFJZMXGOP-UHFFFAOYSA-N 1 2 232.291 0.634 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)c1[nH+]ccn1C ZINC000636212032 346355236 /nfs/dbraw/zinc/35/52/36/346355236.db2.gz SRBVJEXIKMXMLB-HLTSFMKQSA-N 1 2 223.276 0.368 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)c1[nH+]ccn1C ZINC000636212033 346355243 /nfs/dbraw/zinc/35/52/43/346355243.db2.gz SRBVJEXIKMXMLB-XHNCKOQMSA-N 1 2 223.276 0.368 20 0 BCADLO CC1(C)CN(Cc2[nH]cc[nH+]2)CCS1(=O)=O ZINC000155139160 346341518 /nfs/dbraw/zinc/34/15/18/346341518.db2.gz QGOMWDCUPQJWEX-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC3(C2)CCCO3)[nH+]1 ZINC000636259180 346372227 /nfs/dbraw/zinc/37/22/27/346372227.db2.gz ZZDNUPJQZJWVSY-UHFFFAOYSA-N 1 2 249.314 0.906 20 0 BCADLO CCn1c[nH+]cc1CNc1nnn(C)c1C ZINC000641780590 362721113 /nfs/dbraw/zinc/72/11/13/362721113.db2.gz HAMFAVJQIYXKNB-UHFFFAOYSA-N 1 2 220.280 0.952 20 0 BCADLO CCc1c[nH]c(CC(=O)NC2COC2)[nH+]1 ZINC000636315890 346390804 /nfs/dbraw/zinc/39/08/04/346390804.db2.gz WSHHKKLPMIZZKZ-UHFFFAOYSA-N 1 2 209.249 0.030 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679218647 488318234 /nfs/dbraw/zinc/31/82/34/488318234.db2.gz DHTVJQFLLJRGKM-MNOVXSKESA-N 1 2 246.326 0.819 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679218647 488318236 /nfs/dbraw/zinc/31/82/36/488318236.db2.gz DHTVJQFLLJRGKM-MNOVXSKESA-N 1 2 246.326 0.819 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1F ZINC000679219486 488318370 /nfs/dbraw/zinc/31/83/70/488318370.db2.gz CXBJZRZSYKSVEB-PSASIEDQSA-N 1 2 214.284 0.945 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1F ZINC000679219486 488318372 /nfs/dbraw/zinc/31/83/72/488318372.db2.gz CXBJZRZSYKSVEB-PSASIEDQSA-N 1 2 214.284 0.945 20 0 BCADLO O=C1NC2(CC2)C(=O)N1CCCn1cc[nH+]c1 ZINC000348710232 537977853 /nfs/dbraw/zinc/97/78/53/537977853.db2.gz LQFJJGAISRBLLS-UHFFFAOYSA-N 1 2 234.259 0.358 20 0 BCADLO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000338372718 179084566 /nfs/dbraw/zinc/08/45/66/179084566.db2.gz PHZVSMMOWMJYRA-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000338372718 179084569 /nfs/dbraw/zinc/08/45/69/179084569.db2.gz PHZVSMMOWMJYRA-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO CC(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170863818 346466028 /nfs/dbraw/zinc/46/60/28/346466028.db2.gz XSXBTMPVTICDDX-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170863818 346466031 /nfs/dbraw/zinc/46/60/31/346466031.db2.gz XSXBTMPVTICDDX-UHFFFAOYSA-N 1 2 228.336 0.869 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCCO1 ZINC000333027906 346468661 /nfs/dbraw/zinc/46/86/61/346468661.db2.gz KOTKNXNIMPCUSO-QWRGUYRKSA-N 1 2 249.314 0.883 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575063699 346487180 /nfs/dbraw/zinc/48/71/80/346487180.db2.gz BNWDHSCFKNLSCE-QWRGUYRKSA-N 1 2 239.319 0.967 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@]12CCOC2 ZINC000332903046 346479392 /nfs/dbraw/zinc/47/93/92/346479392.db2.gz PWJLMSAGFZQIFI-LDYMZIIASA-N 1 2 221.260 0.453 20 0 BCADLO CCc1nc(CN(C)Cc2[nH+]ccn2C)no1 ZINC000162327121 346518552 /nfs/dbraw/zinc/51/85/52/346518552.db2.gz ADGRQBQVEURROX-UHFFFAOYSA-N 1 2 235.291 0.998 20 0 BCADLO CNC(=O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000186024940 346490730 /nfs/dbraw/zinc/49/07/30/346490730.db2.gz PXMOSEGUGKXDEX-UHFFFAOYSA-N 1 2 207.233 0.465 20 0 BCADLO CCc1noc(C[N@H+](C)CCOCCO)n1 ZINC000300744582 346500336 /nfs/dbraw/zinc/50/03/36/346500336.db2.gz MLGKBRIMYSPSIQ-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO CCc1noc(C[N@@H+](C)CCOCCO)n1 ZINC000300744582 346500337 /nfs/dbraw/zinc/50/03/37/346500337.db2.gz MLGKBRIMYSPSIQ-UHFFFAOYSA-N 1 2 229.280 0.073 20 0 BCADLO COC[C@](C)([NH2+]CC1CC1)C(=O)OC ZINC000053199346 346596462 /nfs/dbraw/zinc/59/64/62/346596462.db2.gz NARVHJCTZFWJDS-JTQLQIEISA-N 1 2 201.266 0.564 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1CC1(F)CC1 ZINC000589209875 346674401 /nfs/dbraw/zinc/67/44/01/346674401.db2.gz TUYYIVXQRCTXLX-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1CC1(F)CC1 ZINC000589209875 346674402 /nfs/dbraw/zinc/67/44/02/346674402.db2.gz TUYYIVXQRCTXLX-SECBINFHSA-N 1 2 231.267 0.752 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(C(N)=O)CC1 ZINC000601206654 346668193 /nfs/dbraw/zinc/66/81/93/346668193.db2.gz KOGQBIWSPWRCTH-UHFFFAOYSA-N 1 2 237.307 0.099 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000203581621 346640376 /nfs/dbraw/zinc/64/03/76/346640376.db2.gz NTQINIZOEDYMBM-VIFPVBQESA-N 1 2 223.276 0.757 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626171231 346688177 /nfs/dbraw/zinc/68/81/77/346688177.db2.gz XAJFDMUGXKFCKO-LBPRGKRZSA-N 1 2 244.335 0.250 20 0 BCADLO CCCNC(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000626171231 346688180 /nfs/dbraw/zinc/68/81/80/346688180.db2.gz XAJFDMUGXKFCKO-LBPRGKRZSA-N 1 2 244.335 0.250 20 0 BCADLO Cc1cccc(NCCCc2nc(=O)[nH][nH]2)[nH+]1 ZINC000128027104 179145460 /nfs/dbraw/zinc/14/54/60/179145460.db2.gz KKKKKBYUVRRSOS-UHFFFAOYSA-N 1 2 233.275 0.846 20 0 BCADLO CC(=O)N[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000580215842 346698127 /nfs/dbraw/zinc/69/81/27/346698127.db2.gz GDSQQNIXMNLPDU-NSHDSACASA-N 1 2 234.303 0.808 20 0 BCADLO O=C([C@@H]1CCCO1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590006261 346762908 /nfs/dbraw/zinc/76/29/08/346762908.db2.gz YFEKBVFUSMETGL-LBPRGKRZSA-N 1 2 248.282 0.850 20 0 BCADLO CC(C)NC(=O)C[NH2+][C@H]1CCn2ccnc21 ZINC000345342700 365855668 /nfs/dbraw/zinc/85/56/68/365855668.db2.gz FVGNVFWQHWUGPV-VIFPVBQESA-N 1 2 222.292 0.442 20 0 BCADLO COC[C@]1(C)C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000626174215 346749978 /nfs/dbraw/zinc/74/99/78/346749978.db2.gz MNPIYRRNZMFBLC-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@]1(C)C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000626174215 346749979 /nfs/dbraw/zinc/74/99/79/346749979.db2.gz MNPIYRRNZMFBLC-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@@]1(C)C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000626174214 346750221 /nfs/dbraw/zinc/75/02/21/346750221.db2.gz MNPIYRRNZMFBLC-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@@]1(C)C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000626174214 346750223 /nfs/dbraw/zinc/75/02/23/346750223.db2.gz MNPIYRRNZMFBLC-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000248435723 323134901 /nfs/dbraw/zinc/13/49/01/323134901.db2.gz AGIOGCVGOVKBIJ-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2CCC[C@@H](O)C2)n1 ZINC000248435723 323134902 /nfs/dbraw/zinc/13/49/02/323134902.db2.gz AGIOGCVGOVKBIJ-DTWKUNHWSA-N 1 2 241.291 0.734 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387842739 347110407 /nfs/dbraw/zinc/11/04/07/347110407.db2.gz GOIKQPIELZRZJH-BDAKNGLRSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387842739 347110412 /nfs/dbraw/zinc/11/04/12/347110412.db2.gz GOIKQPIELZRZJH-BDAKNGLRSA-N 1 2 210.281 0.111 20 0 BCADLO CC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000618401177 347195372 /nfs/dbraw/zinc/19/53/72/347195372.db2.gz HRVDJGTYOPTVPA-SECBINFHSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000618401177 347195375 /nfs/dbraw/zinc/19/53/75/347195375.db2.gz HRVDJGTYOPTVPA-SECBINFHSA-N 1 2 211.265 0.229 20 0 BCADLO CC1(F)C[NH+](CC2(O)CCOCC2)C1 ZINC000684607929 488331669 /nfs/dbraw/zinc/33/16/69/488331669.db2.gz POHCZKXVCAUXRE-UHFFFAOYSA-N 1 2 203.257 0.572 20 0 BCADLO CC(C)[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000380678840 347230268 /nfs/dbraw/zinc/23/02/68/347230268.db2.gz FOBHSDLZPXGFBC-SNVBAGLBSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000618401960 347234465 /nfs/dbraw/zinc/23/44/65/347234465.db2.gz DEZVTSIEAFCYBJ-WCBMZHEXSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000618401960 347234468 /nfs/dbraw/zinc/23/44/68/347234468.db2.gz DEZVTSIEAFCYBJ-WCBMZHEXSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000618402346 347238351 /nfs/dbraw/zinc/23/83/51/347238351.db2.gz ZADIIKIMUIISFS-SECBINFHSA-N 1 2 214.309 0.215 20 0 BCADLO Cc1c[nH]c(CN2CCO[C@H]([C@@H](C)O)C2)[nH+]1 ZINC000628313566 347242112 /nfs/dbraw/zinc/24/21/12/347242112.db2.gz SVKATONCUNVGNX-ZJUUUORDSA-N 1 2 225.292 0.300 20 0 BCADLO CCN1CCN(Cc2c[nH+]c[nH]2)[C@H](C)C1=O ZINC000335715951 347285907 /nfs/dbraw/zinc/28/59/07/347285907.db2.gz FNBIMEXTQTWTHO-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO CCN1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1=O ZINC000335715951 347285909 /nfs/dbraw/zinc/28/59/09/347285909.db2.gz FNBIMEXTQTWTHO-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO CCOCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636530443 347314249 /nfs/dbraw/zinc/31/42/49/347314249.db2.gz DXDAVIWHZLFWCV-SECBINFHSA-N 1 2 238.291 0.144 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cncnc1 ZINC000082267320 347322221 /nfs/dbraw/zinc/32/22/21/347322221.db2.gz KLTVTTUMEXOOMX-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC(C)(C)F ZINC000618409216 347408862 /nfs/dbraw/zinc/40/88/62/347408862.db2.gz GJJUZXIYACQLPM-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC(C)(C)F ZINC000618409216 347408864 /nfs/dbraw/zinc/40/88/64/347408864.db2.gz GJJUZXIYACQLPM-SNVBAGLBSA-N 1 2 246.326 0.962 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCC(=O)C1 ZINC000580332043 347373864 /nfs/dbraw/zinc/37/38/64/347373864.db2.gz BJZPVHRYCOADBF-JTQLQIEISA-N 1 2 247.298 0.979 20 0 BCADLO Cc1[nH]c(CN2CC(=O)N[C@H](C)C2)[nH+]c1C ZINC000628299188 347414882 /nfs/dbraw/zinc/41/48/82/347414882.db2.gz GJJWCTFSDSVXGY-SSDOTTSWSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1cccc2[nH+]c(CN(C)CC(N)=O)cn21 ZINC000298696780 179229942 /nfs/dbraw/zinc/22/99/42/179229942.db2.gz FPPIYPDVXVWPAD-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1nccnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921842 347451016 /nfs/dbraw/zinc/45/10/16/347451016.db2.gz FLYMIIQCKWPMEN-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO Cc1nccnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921842 347451019 /nfs/dbraw/zinc/45/10/19/347451019.db2.gz FLYMIIQCKWPMEN-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)COC1 ZINC000616927492 347453419 /nfs/dbraw/zinc/45/34/19/347453419.db2.gz JSYIUQFZWDYEDV-UHFFFAOYSA-N 1 2 209.249 0.405 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)COC1 ZINC000616927492 347453421 /nfs/dbraw/zinc/45/34/21/347453421.db2.gz JSYIUQFZWDYEDV-UHFFFAOYSA-N 1 2 209.249 0.405 20 0 BCADLO CCCOCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924633 347456610 /nfs/dbraw/zinc/45/66/10/347456610.db2.gz QKBXQNGLVIQTSQ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO CCCOCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924633 347456613 /nfs/dbraw/zinc/45/66/13/347456613.db2.gz QKBXQNGLVIQTSQ-UHFFFAOYSA-N 1 2 211.265 0.795 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000152484991 362830519 /nfs/dbraw/zinc/83/05/19/362830519.db2.gz NYDOGZKLABYVRS-GXSJLCMTSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000152484991 362830528 /nfs/dbraw/zinc/83/05/28/362830528.db2.gz NYDOGZKLABYVRS-GXSJLCMTSA-N 1 2 236.271 0.435 20 0 BCADLO COC(=O)C[N@H+](C)CCc1ccccn1 ZINC000020305675 347440250 /nfs/dbraw/zinc/44/02/50/347440250.db2.gz PCJNFNDDDBUGNI-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1ccccn1 ZINC000020305675 347440254 /nfs/dbraw/zinc/44/02/54/347440254.db2.gz PCJNFNDDDBUGNI-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO CCn1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616925766 347457406 /nfs/dbraw/zinc/45/74/06/347457406.db2.gz PMWQURLKCLMMES-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616925766 347457407 /nfs/dbraw/zinc/45/74/07/347457407.db2.gz PMWQURLKCLMMES-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO Cc1occc1C(=O)N1CC[NH+](CCO)CC1 ZINC000035116039 358453035 /nfs/dbraw/zinc/45/30/35/358453035.db2.gz KFXYNQTUPFUIMX-UHFFFAOYSA-N 1 2 238.287 0.338 20 0 BCADLO Cc1cccc2nc(C[NH+]3C[C@@H](O)[C@H](O)C3)cn21 ZINC000278751578 179229657 /nfs/dbraw/zinc/22/96/57/179229657.db2.gz MCBPHSPEQQBVDW-VXGBXAGGSA-N 1 2 247.298 0.180 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)C[C@H]1COCCO1 ZINC000590710772 347498922 /nfs/dbraw/zinc/49/89/22/347498922.db2.gz MQPPTLZDHRPQJC-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)C[C@H]1COCCO1 ZINC000590710772 347498923 /nfs/dbraw/zinc/49/89/23/347498923.db2.gz MQPPTLZDHRPQJC-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CC[C@@H](C)O ZINC000590700863 347489438 /nfs/dbraw/zinc/48/94/38/347489438.db2.gz PODPJBLSSKFDPL-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CC[C@@H](C)O ZINC000590700863 347489442 /nfs/dbraw/zinc/48/94/42/347489442.db2.gz PODPJBLSSKFDPL-GHMZBOCLSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CC[C@@H](C)O ZINC000590700864 347489664 /nfs/dbraw/zinc/48/96/64/347489664.db2.gz PODPJBLSSKFDPL-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CC[C@@H](C)O ZINC000590700864 347489666 /nfs/dbraw/zinc/48/96/66/347489666.db2.gz PODPJBLSSKFDPL-MNOVXSKESA-N 1 2 247.335 0.656 20 0 BCADLO COc1coc(Cn2cc[nH+]c2)cc1=O ZINC000196248098 347490283 /nfs/dbraw/zinc/49/02/83/347490283.db2.gz HRAGEQAQMPEOMR-UHFFFAOYSA-N 1 2 206.201 0.893 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C[S@@](=O)CC)C[C@@H]1C ZINC000590684827 347490430 /nfs/dbraw/zinc/49/04/30/347490430.db2.gz YPXGANOJYPLKSN-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CC[N@H+]1CCN(C(=O)C[S@@](=O)CC)C[C@@H]1C ZINC000590684827 347490433 /nfs/dbraw/zinc/49/04/33/347490433.db2.gz YPXGANOJYPLKSN-QFYYESIMSA-N 1 2 246.376 0.308 20 0 BCADLO CN(Cc1c[nH]cn1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000616928912 347496143 /nfs/dbraw/zinc/49/61/43/347496143.db2.gz PHNOAJNMYWXFDF-UHFFFAOYSA-N 1 2 236.319 0.710 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CCCO1 ZINC000616926597 347457911 /nfs/dbraw/zinc/45/79/11/347457911.db2.gz IUBFQLGBVSIARI-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CCCO1 ZINC000616926597 347457912 /nfs/dbraw/zinc/45/79/12/347457912.db2.gz IUBFQLGBVSIARI-LLVKDONJSA-N 1 2 223.276 0.937 20 0 BCADLO Cc1c[nH]cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1=O ZINC000616926396 347458580 /nfs/dbraw/zinc/45/85/80/347458580.db2.gz ALBCFRZHERBYLG-UHFFFAOYSA-N 1 2 246.270 0.679 20 0 BCADLO Cc1c[nH]cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1=O ZINC000616926396 347458584 /nfs/dbraw/zinc/45/85/84/347458584.db2.gz ALBCFRZHERBYLG-UHFFFAOYSA-N 1 2 246.270 0.679 20 0 BCADLO CCCn1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nn1 ZINC000616926833 347459478 /nfs/dbraw/zinc/45/94/78/347459478.db2.gz RNCSFDNPJCKDDK-UHFFFAOYSA-N 1 2 248.290 0.683 20 0 BCADLO CCCn1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nn1 ZINC000616926833 347459480 /nfs/dbraw/zinc/45/94/80/347459480.db2.gz RNCSFDNPJCKDDK-UHFFFAOYSA-N 1 2 248.290 0.683 20 0 BCADLO COC(=O)C1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000590564654 347469765 /nfs/dbraw/zinc/46/97/65/347469765.db2.gz AYBXQYBMVBZGKN-SSDOTTSWSA-N 1 2 237.259 0.540 20 0 BCADLO CSCC[C@@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000590565086 347469817 /nfs/dbraw/zinc/46/98/17/347469817.db2.gz MGHKIFMAJMVOCN-HTQZYQBOSA-N 1 2 243.332 0.701 20 0 BCADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000356518712 187377246 /nfs/dbraw/zinc/37/72/46/187377246.db2.gz ZNZXUSLIGJOEHB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000356518712 187377249 /nfs/dbraw/zinc/37/72/49/187377249.db2.gz ZNZXUSLIGJOEHB-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000590593071 347478196 /nfs/dbraw/zinc/47/81/96/347478196.db2.gz ILKFNUBJFHKVAJ-UHFFFAOYSA-N 1 2 240.259 0.418 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590752763 347504607 /nfs/dbraw/zinc/50/46/07/347504607.db2.gz YCOMUZMFILQDTE-BBBLOLIVSA-N 1 2 243.303 0.869 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636595171 347534008 /nfs/dbraw/zinc/53/40/08/347534008.db2.gz KAZDKUANNYADAM-KXUCPTDWSA-N 1 2 234.303 0.763 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735123 347501482 /nfs/dbraw/zinc/50/14/82/347501482.db2.gz YZEZJRKFORMEOV-AEJSXWLSSA-N 1 2 233.283 0.733 20 0 BCADLO CCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735123 347501488 /nfs/dbraw/zinc/50/14/88/347501488.db2.gz YZEZJRKFORMEOV-AEJSXWLSSA-N 1 2 233.283 0.733 20 0 BCADLO CCn1nc(C)cc1C(=O)NCc1[nH+]ccn1C ZINC000590737506 347501556 /nfs/dbraw/zinc/50/15/56/347501556.db2.gz NYDCUIKKUYIMDX-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@@H](C)O ZINC000590735041 347501676 /nfs/dbraw/zinc/50/16/76/347501676.db2.gz KJRPIVANVIQXMR-VGMNWLOBSA-N 1 2 219.256 0.343 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@@H](C)O ZINC000590735041 347501678 /nfs/dbraw/zinc/50/16/78/347501678.db2.gz KJRPIVANVIQXMR-VGMNWLOBSA-N 1 2 219.256 0.343 20 0 BCADLO CC1(C)C[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636625759 347583466 /nfs/dbraw/zinc/58/34/66/347583466.db2.gz YBAGNLHSSSYKHR-WPRPVWTQSA-N 1 2 234.303 0.906 20 0 BCADLO CC[C@](COC)([NH2+]C[C@@H](C)CO)C(=O)OC ZINC000590966946 347595992 /nfs/dbraw/zinc/59/59/92/347595992.db2.gz JVGPORZDTFVIJN-MWLCHTKSSA-N 1 2 233.308 0.173 20 0 BCADLO CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000617046161 347628981 /nfs/dbraw/zinc/62/89/81/347628981.db2.gz FBSLUIRUKDPVFW-SECBINFHSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591601550 347674967 /nfs/dbraw/zinc/67/49/67/347674967.db2.gz TVSAQXSSBULSLA-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591601550 347674969 /nfs/dbraw/zinc/67/49/69/347674969.db2.gz TVSAQXSSBULSLA-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO Cn1cnnc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869103 347704420 /nfs/dbraw/zinc/70/44/20/347704420.db2.gz JWCXFVLQPXGSKZ-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO CC[C@@H](C[N@@H+]1CCN(CCOC)C(=O)C1)OC ZINC000419230952 192108597 /nfs/dbraw/zinc/10/85/97/192108597.db2.gz QOZGHOZIQDASCB-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CC[C@@H](C[N@H+]1CCN(CCOC)C(=O)C1)OC ZINC000419230952 192108598 /nfs/dbraw/zinc/10/85/98/192108598.db2.gz QOZGHOZIQDASCB-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628299947 347804100 /nfs/dbraw/zinc/80/41/00/347804100.db2.gz HTAFMXCPEBVYSP-UHFFFAOYSA-N 1 2 243.332 0.337 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nncn1C ZINC000534843193 323161099 /nfs/dbraw/zinc/16/10/99/323161099.db2.gz IEWUEFSTUYNRLT-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CCO ZINC000577296286 365920410 /nfs/dbraw/zinc/92/04/10/365920410.db2.gz WFIFKMCLMRTCGO-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CCO ZINC000577296286 365920416 /nfs/dbraw/zinc/92/04/16/365920416.db2.gz WFIFKMCLMRTCGO-VIFPVBQESA-N 1 2 239.319 0.866 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCc1cncc(C)n1 ZINC000593007093 347840781 /nfs/dbraw/zinc/84/07/81/347840781.db2.gz KDDYQJIPVHMSFJ-UHFFFAOYSA-N 1 2 237.303 0.869 20 0 BCADLO C[C@H]1C[NH+](C[C@@H]2CCC(=O)N2)C[C@H](C)S1=O ZINC000593026942 347847523 /nfs/dbraw/zinc/84/75/23/347847523.db2.gz ICBRUKXLXVNDTM-GUBZILKMSA-N 1 2 244.360 0.106 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096282 347854387 /nfs/dbraw/zinc/85/43/87/347854387.db2.gz FLLFLRIRRHRTOE-KPWYMIHSSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096282 347854388 /nfs/dbraw/zinc/85/43/88/347854388.db2.gz FLLFLRIRRHRTOE-KPWYMIHSSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1cncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096282 347854390 /nfs/dbraw/zinc/85/43/90/347854390.db2.gz FLLFLRIRRHRTOE-KPWYMIHSSA-N 1 2 225.317 0.125 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696162 323162948 /nfs/dbraw/zinc/16/29/48/323162948.db2.gz FAKPQRVQEBMZIA-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696162 323162949 /nfs/dbraw/zinc/16/29/49/323162949.db2.gz FAKPQRVQEBMZIA-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098634 347856065 /nfs/dbraw/zinc/85/60/65/347856065.db2.gz YMTXDNPKUKWZSF-XQJJYNOISA-N 1 2 239.344 0.608 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593100526 347856564 /nfs/dbraw/zinc/85/65/64/347856564.db2.gz OBTDTNLXMLDYBE-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593100526 347856566 /nfs/dbraw/zinc/85/65/66/347856566.db2.gz OBTDTNLXMLDYBE-AMJWSMQMSA-N 1 2 225.317 0.125 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593103495 347858656 /nfs/dbraw/zinc/85/86/56/347858656.db2.gz ZIZRSLVLAAXHML-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000577315130 365923927 /nfs/dbraw/zinc/92/39/27/365923927.db2.gz JLNWAOXIDWHKGR-HMDXOVGESA-N 1 2 237.303 0.406 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593103495 347858660 /nfs/dbraw/zinc/85/86/60/347858660.db2.gz ZIZRSLVLAAXHML-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccno1 ZINC000593103488 347858832 /nfs/dbraw/zinc/85/88/32/347858832.db2.gz ZIBREZDJZKTBRO-CVXYPUPMSA-N 1 2 212.274 0.380 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccno1 ZINC000593103488 347858837 /nfs/dbraw/zinc/85/88/37/347858837.db2.gz ZIBREZDJZKTBRO-CVXYPUPMSA-N 1 2 212.274 0.380 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000593277773 347877633 /nfs/dbraw/zinc/87/76/33/347877633.db2.gz SNGILCCIZFKZQK-UHFFFAOYSA-N 1 2 244.254 0.491 20 0 BCADLO Cc1[nH]c(CN2CCC[C@@H]2C(N)=O)[nH+]c1C ZINC000628300263 347884863 /nfs/dbraw/zinc/88/48/63/347884863.db2.gz YBDPPLVDWYVTRC-SECBINFHSA-N 1 2 222.292 0.476 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncs1 ZINC000593687644 347927764 /nfs/dbraw/zinc/92/77/64/347927764.db2.gz LTCCXDZEQJNUQD-DKYNEUFISA-N 1 2 228.342 0.848 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncs1 ZINC000593687644 347927767 /nfs/dbraw/zinc/92/77/67/347927767.db2.gz LTCCXDZEQJNUQD-DKYNEUFISA-N 1 2 228.342 0.848 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccco1 ZINC000593689905 347928305 /nfs/dbraw/zinc/92/83/05/347928305.db2.gz YTWZYEYFQBOBFK-BXGCZWRVSA-N 1 2 211.286 0.985 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccco1 ZINC000593689905 347928308 /nfs/dbraw/zinc/92/83/08/347928308.db2.gz YTWZYEYFQBOBFK-BXGCZWRVSA-N 1 2 211.286 0.985 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593692490 347928455 /nfs/dbraw/zinc/92/84/55/347928455.db2.gz APGQXJCEECIUAD-XMZIXOGTSA-N 1 2 237.328 0.689 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593692490 347928456 /nfs/dbraw/zinc/92/84/56/347928456.db2.gz APGQXJCEECIUAD-XMZIXOGTSA-N 1 2 237.328 0.689 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593689877 347928531 /nfs/dbraw/zinc/92/85/31/347928531.db2.gz YFZGZYIDJFPPBT-XMZIXOGTSA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593689877 347928534 /nfs/dbraw/zinc/92/85/34/347928534.db2.gz YFZGZYIDJFPPBT-XMZIXOGTSA-N 1 2 239.344 0.608 20 0 BCADLO CC(C)(O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000362333138 187382909 /nfs/dbraw/zinc/38/29/09/187382909.db2.gz KVAFJZYDZXRSPV-UHFFFAOYSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1nc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)n[nH]1 ZINC000531293550 348010338 /nfs/dbraw/zinc/01/03/38/348010338.db2.gz GAXQBQPPIBCYSD-OCAPTIKFSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)n[nH]1 ZINC000531293550 348010341 /nfs/dbraw/zinc/01/03/41/348010341.db2.gz GAXQBQPPIBCYSD-OCAPTIKFSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[nH]1 ZINC000531293550 348010345 /nfs/dbraw/zinc/01/03/45/348010345.db2.gz GAXQBQPPIBCYSD-OCAPTIKFSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH]1 ZINC000531293550 348010347 /nfs/dbraw/zinc/01/03/47/348010347.db2.gz GAXQBQPPIBCYSD-OCAPTIKFSA-N 1 2 237.307 0.924 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594314718 348029512 /nfs/dbraw/zinc/02/95/12/348029512.db2.gz NGWNOOVVUNWXET-JGVFFNPUSA-N 1 2 239.275 0.266 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594314718 348029513 /nfs/dbraw/zinc/02/95/13/348029513.db2.gz NGWNOOVVUNWXET-JGVFFNPUSA-N 1 2 239.275 0.266 20 0 BCADLO COCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594179973 348020966 /nfs/dbraw/zinc/02/09/66/348020966.db2.gz PCXHQQINBCVWNM-UHFFFAOYSA-N 1 2 236.271 0.708 20 0 BCADLO CO[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594180861 348021123 /nfs/dbraw/zinc/02/11/23/348021123.db2.gz VYICSZCEAUPFOE-SECBINFHSA-N 1 2 236.271 0.706 20 0 BCADLO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594711121 348104328 /nfs/dbraw/zinc/10/43/28/348104328.db2.gz NJZAVTUNGKDJBH-OUAUKWLOSA-N 1 2 245.319 0.579 20 0 BCADLO CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)C(=O)OC ZINC000594721164 348107799 /nfs/dbraw/zinc/10/77/99/348107799.db2.gz MHDKUGKDQCGHJX-JGVFFNPUSA-N 1 2 237.246 0.952 20 0 BCADLO Cc1cccn2cc(CNC(=O)CO)[nH+]c12 ZINC000270784403 179356990 /nfs/dbraw/zinc/35/69/90/179356990.db2.gz KTUBQYVNXVQJIE-UHFFFAOYSA-N 1 2 219.244 0.251 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373741648 187386707 /nfs/dbraw/zinc/38/67/07/187386707.db2.gz MWCCFTYKPGLJDW-GXSJLCMTSA-N 1 2 249.314 0.929 20 0 BCADLO CCOC(=O)[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000594649069 348088304 /nfs/dbraw/zinc/08/83/04/348088304.db2.gz AZUIFOIXHSERFS-SECBINFHSA-N 1 2 249.274 0.647 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000616207545 348154487 /nfs/dbraw/zinc/15/44/87/348154487.db2.gz DYQOCWUHLHSCEK-WPRPVWTQSA-N 1 2 207.277 0.735 20 0 BCADLO C[C@@H](CSCCF)[NH2+]Cc1ncn(C)n1 ZINC000595027749 348173282 /nfs/dbraw/zinc/17/32/82/348173282.db2.gz SDRMHNQSHCKSGD-QMMMGPOBSA-N 1 2 232.328 0.996 20 0 BCADLO COc1c(CNCc2[nH]cc[nH+]2)c(C)nn1C ZINC000123005800 187388546 /nfs/dbraw/zinc/38/85/46/187388546.db2.gz MSGBWSOFNQCQNA-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO COc1c(C[NH2+]Cc2ncc[nH]2)c(C)nn1C ZINC000123005800 187388548 /nfs/dbraw/zinc/38/85/48/187388548.db2.gz MSGBWSOFNQCQNA-UHFFFAOYSA-N 1 2 235.291 0.750 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000305913988 187388745 /nfs/dbraw/zinc/38/87/45/187388745.db2.gz ANMXPRBRQYSXHQ-VXGBXAGGSA-N 1 2 248.330 0.961 20 0 BCADLO COC(=O)C[N@H+](C)CCO[C@H]1CC1(F)F ZINC000595287893 348212606 /nfs/dbraw/zinc/21/26/06/348212606.db2.gz OTXIJMPEQLQTAF-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)C[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000595287893 348212608 /nfs/dbraw/zinc/21/26/08/348212608.db2.gz OTXIJMPEQLQTAF-ZETCQYMHSA-N 1 2 223.219 0.515 20 0 BCADLO COC(=O)[C@H](C1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000595399730 348238331 /nfs/dbraw/zinc/23/83/31/348238331.db2.gz RSYGDCXYGAUFBA-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1cn[nH]n1)C(C)(C)C ZINC000595383612 348242279 /nfs/dbraw/zinc/24/22/79/348242279.db2.gz KDFUFOUEPXWAQI-SECBINFHSA-N 1 2 240.307 0.525 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)on1 ZINC000595427145 348247686 /nfs/dbraw/zinc/24/76/86/348247686.db2.gz RHPRYKAIIQYOPU-ZKANADHPSA-N 1 2 246.332 0.882 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)on1 ZINC000595427145 348247688 /nfs/dbraw/zinc/24/76/88/348247688.db2.gz RHPRYKAIIQYOPU-ZKANADHPSA-N 1 2 246.332 0.882 20 0 BCADLO COC[C@H](C[N@@H+]1CC[S@](=O)CC1(C)C)OC ZINC000595452035 348253470 /nfs/dbraw/zinc/25/34/70/348253470.db2.gz GQXUXZOERQQNJA-QFYYESIMSA-N 1 2 249.376 0.491 20 0 BCADLO COC[C@H](C[N@H+]1CC[S@](=O)CC1(C)C)OC ZINC000595452035 348253472 /nfs/dbraw/zinc/25/34/72/348253472.db2.gz GQXUXZOERQQNJA-QFYYESIMSA-N 1 2 249.376 0.491 20 0 BCADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)CC[S@]1=O ZINC000595460442 348257167 /nfs/dbraw/zinc/25/71/67/348257167.db2.gz VUASWPOPGAZVET-QLJPJBMISA-N 1 2 241.360 0.763 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000595466211 348258028 /nfs/dbraw/zinc/25/80/28/348258028.db2.gz TYNAASKMVBXQQY-HTQZYQBOSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000595466211 348258032 /nfs/dbraw/zinc/25/80/32/348258032.db2.gz TYNAASKMVBXQQY-HTQZYQBOSA-N 1 2 237.246 0.904 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)C ZINC000595528116 348271967 /nfs/dbraw/zinc/27/19/67/348271967.db2.gz QHFYVLYHZCAQLL-JTQLQIEISA-N 1 2 203.282 0.546 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@H]1CCCCO1 ZINC000595530815 348273364 /nfs/dbraw/zinc/27/33/64/348273364.db2.gz ABWRNTSLMFIXSD-ZYHUDNBSSA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCSC(C)C ZINC000595531976 348273860 /nfs/dbraw/zinc/27/38/60/348273860.db2.gz NOENUIYEAUZONF-SNVBAGLBSA-N 1 2 235.349 0.642 20 0 BCADLO CCC(CC)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595533841 348275358 /nfs/dbraw/zinc/27/53/58/348275358.db2.gz OPDVCPFPZTXODI-NSHDSACASA-N 1 2 217.309 0.936 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)o1 ZINC000595565037 348282672 /nfs/dbraw/zinc/28/26/72/348282672.db2.gz YKATZFCGRFKXOY-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)o1 ZINC000595565037 348282674 /nfs/dbraw/zinc/28/26/74/348282674.db2.gz YKATZFCGRFKXOY-PUTJDCORSA-N 1 2 240.328 0.997 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CCC2)CC(=O)N1C ZINC000419288871 192117844 /nfs/dbraw/zinc/11/78/44/192117844.db2.gz HYJXLMAUOZVJTN-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CCC2)CC(=O)N1C ZINC000419288871 192117846 /nfs/dbraw/zinc/11/78/46/192117846.db2.gz HYJXLMAUOZVJTN-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000595662459 348300241 /nfs/dbraw/zinc/30/02/41/348300241.db2.gz OWYZOBMSCDIZEB-WCBMZHEXSA-N 1 2 240.259 0.403 20 0 BCADLO CNC(=O)C[N@H+](CC(=O)OC)C1CCCCC1 ZINC000595662964 348300988 /nfs/dbraw/zinc/30/09/88/348300988.db2.gz FKAIKURNOBNQHB-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CNC(=O)C[N@@H+](CC(=O)OC)C1CCCCC1 ZINC000595662964 348300991 /nfs/dbraw/zinc/30/09/91/348300991.db2.gz FKAIKURNOBNQHB-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CCC[C@H](O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419326411 192122179 /nfs/dbraw/zinc/12/21/79/192122179.db2.gz CCCHSKKBONMTTE-XQQFMLRXSA-N 1 2 244.379 0.534 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1ccnn1C ZINC000595679417 348311313 /nfs/dbraw/zinc/31/13/13/348311313.db2.gz DLAXKRINGLETTM-UHFFFAOYSA-N 1 2 249.314 0.600 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCc1ccnn1C ZINC000595679417 348311315 /nfs/dbraw/zinc/31/13/15/348311315.db2.gz DLAXKRINGLETTM-UHFFFAOYSA-N 1 2 249.314 0.600 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cn(C)nc1C ZINC000595680104 348311413 /nfs/dbraw/zinc/31/14/13/348311413.db2.gz JNVGNBWNLISYCP-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cn(C)nc1C ZINC000595680104 348311415 /nfs/dbraw/zinc/31/14/15/348311415.db2.gz JNVGNBWNLISYCP-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO)C1CCCCC1 ZINC000308946116 323182239 /nfs/dbraw/zinc/18/22/39/323182239.db2.gz NUAPBHZJMYCZAC-SNVBAGLBSA-N 1 2 215.293 0.690 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCOC1 ZINC000595769958 348335686 /nfs/dbraw/zinc/33/56/86/348335686.db2.gz PLECENZIKWLLLN-ONGXEEELSA-N 1 2 233.283 0.904 20 0 BCADLO COC(=O)[C@](C)(CCF)NCc1[nH+]ccn1C ZINC000595768411 348335966 /nfs/dbraw/zinc/33/59/66/348335966.db2.gz BZOZXVISUHSUPL-NSHDSACASA-N 1 2 243.282 0.801 20 0 BCADLO CCOC(=O)CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595773801 348337477 /nfs/dbraw/zinc/33/74/77/348337477.db2.gz FINJZSNYZLBEON-LLVKDONJSA-N 1 2 249.282 0.821 20 0 BCADLO CNC(=O)CCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595775623 348337974 /nfs/dbraw/zinc/33/79/74/348337974.db2.gz PPQYYUXGLJTFHK-NSHDSACASA-N 1 2 248.298 0.394 20 0 BCADLO COC(=O)[C@](C)(CCF)NCc1c[nH+]cn1C ZINC000595777085 348338556 /nfs/dbraw/zinc/33/85/56/348338556.db2.gz UDYKLCJFOJAGGP-NSHDSACASA-N 1 2 243.282 0.801 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595777773 348338712 /nfs/dbraw/zinc/33/87/12/348338712.db2.gz JRCOPZXIKVQAES-AEJSXWLSSA-N 1 2 227.304 0.831 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780375 348341678 /nfs/dbraw/zinc/34/16/78/348341678.db2.gz JOLPAKKHVFTDPJ-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780375 348341682 /nfs/dbraw/zinc/34/16/82/348341682.db2.gz JOLPAKKHVFTDPJ-BDAKNGLRSA-N 1 2 201.266 0.659 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000595784418 348345968 /nfs/dbraw/zinc/34/59/68/348345968.db2.gz TZUXXKITZKZDDU-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595784418 348345971 /nfs/dbraw/zinc/34/59/71/348345971.db2.gz TZUXXKITZKZDDU-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)C12CC(C1)CN2Cc1[nH+]ccn1C ZINC000595859342 348381829 /nfs/dbraw/zinc/38/18/29/348381829.db2.gz BGQXSBASDRIWDT-UHFFFAOYSA-N 1 2 249.314 0.948 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000595854893 348356796 /nfs/dbraw/zinc/35/67/96/348356796.db2.gz BDYSKZDFVUOEQE-DTORHVGOSA-N 1 2 238.291 0.497 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000595854893 348356797 /nfs/dbraw/zinc/35/67/97/348356797.db2.gz BDYSKZDFVUOEQE-DTORHVGOSA-N 1 2 238.291 0.497 20 0 BCADLO OCCC[N@H+](CCO)Cc1cccnc1Cl ZINC000264636864 187398084 /nfs/dbraw/zinc/39/80/84/187398084.db2.gz TWWWVGQEPFXAMO-UHFFFAOYSA-N 1 2 244.722 0.912 20 0 BCADLO OCCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000264636864 187398086 /nfs/dbraw/zinc/39/80/86/187398086.db2.gz TWWWVGQEPFXAMO-UHFFFAOYSA-N 1 2 244.722 0.912 20 0 BCADLO COCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596047950 348429600 /nfs/dbraw/zinc/42/96/00/348429600.db2.gz DBMMTUMJYRGYNQ-UHFFFAOYSA-N 1 2 224.260 0.855 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CC[C@@H](O)C2)c1 ZINC000596106478 348440950 /nfs/dbraw/zinc/44/09/50/348440950.db2.gz DZAOHRVQWHBSHY-SNVBAGLBSA-N 1 2 236.271 0.368 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC[C@H](C)CO)c1 ZINC000596087493 348443494 /nfs/dbraw/zinc/44/34/94/348443494.db2.gz FYWGCYSRWCGATO-VIFPVBQESA-N 1 2 238.287 0.837 20 0 BCADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)CO)c1 ZINC000596087488 348443733 /nfs/dbraw/zinc/44/37/33/348443733.db2.gz FYWGCYSRWCGATO-SECBINFHSA-N 1 2 238.287 0.837 20 0 BCADLO COC(=O)Cc1cc[nH+]c(N2CC(CO)C2)c1 ZINC000596194577 348458529 /nfs/dbraw/zinc/45/85/29/348458529.db2.gz PNPWKXALDIBOTB-UHFFFAOYSA-N 1 2 236.271 0.226 20 0 BCADLO COC(=O)c1nccnc1N(C)Cc1c[nH+]c[nH]1 ZINC000596310974 348504144 /nfs/dbraw/zinc/50/41/44/348504144.db2.gz AZEAHFWGHCNCTE-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)c1nccnc1N(C)Cc1c[nH]c[nH+]1 ZINC000596310974 348504145 /nfs/dbraw/zinc/50/41/45/348504145.db2.gz AZEAHFWGHCNCTE-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000597115994 348663125 /nfs/dbraw/zinc/66/31/25/348663125.db2.gz BJFWPAPCYCLFJN-UYXSQOIJSA-N 1 2 229.276 0.335 20 0 BCADLO Cc1c[nH+]c(CN[C@H]2CC(=O)N(C)C2)n1C ZINC000336724700 179611206 /nfs/dbraw/zinc/61/12/06/179611206.db2.gz BGDJIRPDQCYBMG-VIFPVBQESA-N 1 2 222.292 0.049 20 0 BCADLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000048613958 348750170 /nfs/dbraw/zinc/75/01/70/348750170.db2.gz CWBKDMQLTZTZAA-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822696 348760266 /nfs/dbraw/zinc/76/02/66/348760266.db2.gz CNUONGOAIZQRGK-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC(=O)[O-] ZINC000308822696 348760267 /nfs/dbraw/zinc/76/02/67/348760267.db2.gz CNUONGOAIZQRGK-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000308822696 348760271 /nfs/dbraw/zinc/76/02/71/348760271.db2.gz CNUONGOAIZQRGK-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000308822696 348760273 /nfs/dbraw/zinc/76/02/73/348760273.db2.gz CNUONGOAIZQRGK-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO CSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597996265 348853329 /nfs/dbraw/zinc/85/33/29/348853329.db2.gz IEIMNZLXVDFQKN-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597996265 348853333 /nfs/dbraw/zinc/85/33/33/348853333.db2.gz IEIMNZLXVDFQKN-UWVGGRQHSA-N 1 2 246.376 0.575 20 0 BCADLO CCC[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000050193545 348874864 /nfs/dbraw/zinc/87/48/64/348874864.db2.gz STKOFRUVZZUTAB-GFCCVEGCSA-N 1 2 212.337 0.927 20 0 BCADLO COC(=O)C12CC(C1)CN2C(=O)Cn1cc[nH+]c1 ZINC000598056559 348875483 /nfs/dbraw/zinc/87/54/83/348875483.db2.gz FQWIWHSZGHOMLZ-UHFFFAOYSA-N 1 2 249.270 0.047 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC2 ZINC000421762965 192380027 /nfs/dbraw/zinc/38/00/27/192380027.db2.gz OXUNELSRXVZLNI-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC2 ZINC000421762965 192380030 /nfs/dbraw/zinc/38/00/30/192380030.db2.gz OXUNELSRXVZLNI-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000598517884 348982199 /nfs/dbraw/zinc/98/21/99/348982199.db2.gz NANCOJHGRKPCSD-ZKCHVHJHSA-N 1 2 237.259 0.400 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC12CC2 ZINC000421747151 192378884 /nfs/dbraw/zinc/37/88/84/192378884.db2.gz BFGHMWPGZZWCKC-QWRGUYRKSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000421756338 192380134 /nfs/dbraw/zinc/38/01/34/192380134.db2.gz JRPWYUZZKOXCRQ-NQBHXWOUSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000421756338 192380136 /nfs/dbraw/zinc/38/01/36/192380136.db2.gz JRPWYUZZKOXCRQ-NQBHXWOUSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC2 ZINC000421762968 192380478 /nfs/dbraw/zinc/38/04/78/192380478.db2.gz OXUNELSRXVZLNI-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC2 ZINC000421762968 192380480 /nfs/dbraw/zinc/38/04/80/192380480.db2.gz OXUNELSRXVZLNI-WDEREUQCSA-N 1 2 238.331 0.623 20 0 BCADLO Cc1nccnc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000598674723 349019699 /nfs/dbraw/zinc/01/96/99/349019699.db2.gz SBKFMSRFJADYDT-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1nccnc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000598674723 349019700 /nfs/dbraw/zinc/01/97/00/349019700.db2.gz SBKFMSRFJADYDT-JDNHERCYSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1c[nH]c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)n1 ZINC000628302012 349084018 /nfs/dbraw/zinc/08/40/18/349084018.db2.gz NKXSIIIEUOUPRG-MNOVXSKESA-N 1 2 239.319 0.690 20 0 BCADLO Cc1c[nH]c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)n1 ZINC000628302012 349084022 /nfs/dbraw/zinc/08/40/22/349084022.db2.gz NKXSIIIEUOUPRG-MNOVXSKESA-N 1 2 239.319 0.690 20 0 BCADLO CSCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598940870 349062212 /nfs/dbraw/zinc/06/22/12/349062212.db2.gz BDFJSDUOFAMXEI-QMMMGPOBSA-N 1 2 225.317 0.677 20 0 BCADLO CCc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000070646461 490229863 /nfs/dbraw/zinc/22/98/63/490229863.db2.gz LUPFUBXNAKEAIR-UHFFFAOYSA-N 1 2 218.264 0.812 20 0 BCADLO CCO[C@H](C[NH+]1CCS(=O)CC1)C1CC1 ZINC000599292079 349148924 /nfs/dbraw/zinc/14/89/24/349148924.db2.gz XJXSRAKDBSROIJ-LLVKDONJSA-N 1 2 231.361 0.866 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CC(C)(C)C1 ZINC000599437341 349176573 /nfs/dbraw/zinc/17/65/73/349176573.db2.gz OKMHHZOAMODKDX-GFCCVEGCSA-N 1 2 229.320 0.936 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)COCC(F)F ZINC000623518143 362941339 /nfs/dbraw/zinc/94/13/39/362941339.db2.gz FOPVXAAHWARPDO-UHFFFAOYSA-N 1 2 247.245 0.660 20 0 BCADLO COC(=O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599625020 349230786 /nfs/dbraw/zinc/23/07/86/349230786.db2.gz KYQWGCTXQXJGRY-ODHVRURNSA-N 1 2 201.266 0.561 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631883 349237178 /nfs/dbraw/zinc/23/71/78/349237178.db2.gz CRRAUADPAHEQHO-OLBFVZFUSA-N 1 2 231.317 0.145 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631883 349237179 /nfs/dbraw/zinc/23/71/79/349237179.db2.gz CRRAUADPAHEQHO-OLBFVZFUSA-N 1 2 231.317 0.145 20 0 BCADLO COC(=O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599705516 349249404 /nfs/dbraw/zinc/24/94/04/349249404.db2.gz WUCLXDUOZKKGPT-SNVBAGLBSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599705516 349249406 /nfs/dbraw/zinc/24/94/06/349249406.db2.gz WUCLXDUOZKKGPT-SNVBAGLBSA-N 1 2 228.292 0.150 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CCO)c[nH+]1 ZINC000275143021 179887968 /nfs/dbraw/zinc/88/79/68/179887968.db2.gz PMNQCGIOPNIQAK-NXEZZACHSA-N 1 2 237.303 0.999 20 0 BCADLO Cn1nnc(C[N@@H+]2CCCCC[C@H]2CCO)n1 ZINC000342053400 538042085 /nfs/dbraw/zinc/04/20/85/538042085.db2.gz WVHKTFFIMZAKCG-JTQLQIEISA-N 1 2 239.323 0.337 20 0 BCADLO Cn1nnc(C[N@H+]2CCCCC[C@H]2CCO)n1 ZINC000342053400 538042098 /nfs/dbraw/zinc/04/20/98/538042098.db2.gz WVHKTFFIMZAKCG-JTQLQIEISA-N 1 2 239.323 0.337 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000057157638 349369090 /nfs/dbraw/zinc/36/90/90/349369090.db2.gz MAOAQCWUUYLWAZ-SECBINFHSA-N 1 2 200.282 0.232 20 0 BCADLO COC(=O)C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000396648867 349379161 /nfs/dbraw/zinc/37/91/61/349379161.db2.gz KIPGFIANMMTFCS-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000396648867 349379162 /nfs/dbraw/zinc/37/91/62/349379162.db2.gz KIPGFIANMMTFCS-MRVPVSSYSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602050599 349426488 /nfs/dbraw/zinc/42/64/88/349426488.db2.gz JZDOGTKDZWYQEG-HTQZYQBOSA-N 1 2 237.259 0.193 20 0 BCADLO COC(=O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602050599 349426490 /nfs/dbraw/zinc/42/64/90/349426490.db2.gz JZDOGTKDZWYQEG-HTQZYQBOSA-N 1 2 237.259 0.193 20 0 BCADLO CCCC(=O)NC1CC[NH+](CC(=O)OC)CC1 ZINC000603682311 350010936 /nfs/dbraw/zinc/01/09/36/350010936.db2.gz DPYYRXLULYOEIZ-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@H](C)SCCO)CC1 ZINC000603759302 350024768 /nfs/dbraw/zinc/02/47/68/350024768.db2.gz VWGHGJAUSITUKH-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccon1 ZINC000602015701 349417134 /nfs/dbraw/zinc/41/71/34/349417134.db2.gz HIJLRAQIPFYKGV-VIFPVBQESA-N 1 2 243.332 0.632 20 0 BCADLO O=C(Cn1cncn1)Nc1ccc2[nH+]ccn2c1 ZINC000603808558 350036387 /nfs/dbraw/zinc/03/63/87/350036387.db2.gz ATRDFTDKGDZPRP-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BCADLO O=C(c1cc[nH]c1)N1CC(n2cc[nH+]c2)C1 ZINC000603915347 350056339 /nfs/dbraw/zinc/05/63/39/350056339.db2.gz PBDXXJNAANBMAB-UHFFFAOYSA-N 1 2 216.244 0.908 20 0 BCADLO O=C(NC1CC=CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636928163 350071590 /nfs/dbraw/zinc/07/15/90/350071590.db2.gz SNXADKAOAXHPRE-JTQLQIEISA-N 1 2 232.287 0.826 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CCOC[C@@H]1C ZINC000302442498 350090988 /nfs/dbraw/zinc/09/09/88/350090988.db2.gz UEGZSNJRMQCEOP-JGVFFNPUSA-N 1 2 238.291 0.904 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CCOC[C@@H]1C ZINC000302442498 350090993 /nfs/dbraw/zinc/09/09/93/350090993.db2.gz UEGZSNJRMQCEOP-JGVFFNPUSA-N 1 2 238.291 0.904 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](CO)C2)no1 ZINC000340276079 180047460 /nfs/dbraw/zinc/04/74/60/180047460.db2.gz CCGZRHBQWLBXOA-CBAPKCEASA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](CO)C2)no1 ZINC000340276079 180047461 /nfs/dbraw/zinc/04/74/61/180047461.db2.gz CCGZRHBQWLBXOA-CBAPKCEASA-N 1 2 211.265 0.753 20 0 BCADLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC000269259811 180054404 /nfs/dbraw/zinc/05/44/04/180054404.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nnc([C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC000269259811 180054405 /nfs/dbraw/zinc/05/44/05/180054405.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC000269259811 180054408 /nfs/dbraw/zinc/05/44/08/180054408.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC000269259811 180054409 /nfs/dbraw/zinc/05/44/09/180054409.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n[nH]1 ZINC000269259811 180054411 /nfs/dbraw/zinc/05/44/11/180054411.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n[nH]1 ZINC000269259811 180054413 /nfs/dbraw/zinc/05/44/13/180054413.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 1 2 249.318 0.181 20 0 BCADLO Cc1c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cnn1C ZINC000426158474 191025460 /nfs/dbraw/zinc/02/54/60/191025460.db2.gz CPLPTXPOWXEMEA-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+]2CCN(C)C(=O)[C@H]2C)cnn1C ZINC000426158474 191025462 /nfs/dbraw/zinc/02/54/62/191025462.db2.gz CPLPTXPOWXEMEA-SNVBAGLBSA-N 1 2 236.319 0.391 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC000330742878 538053737 /nfs/dbraw/zinc/05/37/37/538053737.db2.gz SWXKBDZUPHFMRO-UHFFFAOYSA-N 1 2 241.295 0.102 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC000330742878 538053740 /nfs/dbraw/zinc/05/37/40/538053740.db2.gz SWXKBDZUPHFMRO-UHFFFAOYSA-N 1 2 241.295 0.102 20 0 BCADLO Cc1[nH+]c2ccccn2c1CN1CC(=O)N(C)C1 ZINC000334989197 180107052 /nfs/dbraw/zinc/10/70/52/180107052.db2.gz ZFHLHCKDUWEMHW-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cc[nH]n1)C2 ZINC000329184898 180112205 /nfs/dbraw/zinc/11/22/05/180112205.db2.gz PHOHHJKJJFIFNP-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000329184898 180112207 /nfs/dbraw/zinc/11/22/07/180112207.db2.gz PHOHHJKJJFIFNP-UHFFFAOYSA-N 1 2 218.264 0.325 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cccn1C)C2 ZINC000271201084 180112731 /nfs/dbraw/zinc/11/27/31/180112731.db2.gz UIVKETMKIWAWNA-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cccn1C)C2 ZINC000271201084 180112734 /nfs/dbraw/zinc/11/27/34/180112734.db2.gz UIVKETMKIWAWNA-UHFFFAOYSA-N 1 2 231.303 0.941 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](CC1=CCCOC1)C2 ZINC000271204841 180113583 /nfs/dbraw/zinc/11/35/83/180113583.db2.gz VSHCPIIBLRQATA-UHFFFAOYSA-N 1 2 234.303 0.749 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](CC1=CCCOC1)C2 ZINC000271204841 180113585 /nfs/dbraw/zinc/11/35/85/180113585.db2.gz VSHCPIIBLRQATA-UHFFFAOYSA-N 1 2 234.303 0.749 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cnn(C)c1C)C2 ZINC000269015734 180113639 /nfs/dbraw/zinc/11/36/39/180113639.db2.gz OAQZNUOFWMGJKN-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cnn(C)c1C)C2 ZINC000269015734 180113641 /nfs/dbraw/zinc/11/36/41/180113641.db2.gz OAQZNUOFWMGJKN-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1[nH]c(C(=O)NCCC(=O)OC(C)C)c[nH+]1 ZINC000339227606 180129900 /nfs/dbraw/zinc/12/99/00/180129900.db2.gz GPFILKLSZQKZQX-UHFFFAOYSA-N 1 2 239.275 0.790 20 0 BCADLO Cc1[nH]c(C(=O)NCCn2cnnc2C)c[nH+]1 ZINC000339286968 180130549 /nfs/dbraw/zinc/13/05/49/180130549.db2.gz NEDQTWFNICVIMH-UHFFFAOYSA-N 1 2 234.263 0.048 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CO)c[nH+]1 ZINC000334757137 180133339 /nfs/dbraw/zinc/13/33/39/180133339.db2.gz SHODULZSKPNVME-RKDXNWHRSA-N 1 2 223.276 0.609 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000340226386 180141509 /nfs/dbraw/zinc/14/15/09/180141509.db2.gz RCRJIGIVNBJTNW-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000340226386 180141510 /nfs/dbraw/zinc/14/15/10/180141510.db2.gz RCRJIGIVNBJTNW-SNVBAGLBSA-N 1 2 220.276 0.105 20 0 BCADLO Cc1ncc(C[N@@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000332282405 180142571 /nfs/dbraw/zinc/14/25/71/180142571.db2.gz RMYKHBJFPNNGCN-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000332282405 180142574 /nfs/dbraw/zinc/14/25/74/180142574.db2.gz RMYKHBJFPNNGCN-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCOC1 ZINC000334156726 180119476 /nfs/dbraw/zinc/11/94/76/180119476.db2.gz ZHOHSPCSPQLIPB-LLVKDONJSA-N 1 2 223.276 0.761 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CO[C@H](C)C1 ZINC000336452863 180120232 /nfs/dbraw/zinc/12/02/32/180120232.db2.gz ZTWOICLQDGVKLH-APPZFPTMSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000336452552 180120353 /nfs/dbraw/zinc/12/03/53/180120353.db2.gz BJIAQHYNOUICAQ-UWVGGRQHSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1nccnc1N ZINC000353155789 180121991 /nfs/dbraw/zinc/12/19/91/180121991.db2.gz CZELCHCRFGZSKA-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BCADLO Cc1ncc(C[NH2+]Cc2cc[nH]n2)c(=O)[nH]1 ZINC000309725843 180152912 /nfs/dbraw/zinc/15/29/12/180152912.db2.gz XXACWSUYTWVASG-UHFFFAOYSA-N 1 2 219.248 0.504 20 0 BCADLO Cc1ncc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000266802451 180168711 /nfs/dbraw/zinc/16/87/11/180168711.db2.gz FSVQAYWASWBCMM-JTQLQIEISA-N 1 2 236.275 0.054 20 0 BCADLO Cc1ncc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000266802451 180168712 /nfs/dbraw/zinc/16/87/12/180168712.db2.gz FSVQAYWASWBCMM-JTQLQIEISA-N 1 2 236.275 0.054 20 0 BCADLO Cc1ncc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cn1 ZINC000262046181 180170641 /nfs/dbraw/zinc/17/06/41/180170641.db2.gz ZEAJJDNEGJTVJJ-XCBNKYQSSA-N 1 2 236.275 0.100 20 0 BCADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637100893 350200552 /nfs/dbraw/zinc/20/05/52/350200552.db2.gz VMOLFCIRIPWWFF-IXLVHKGHSA-N 1 2 246.314 0.906 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](Cc1cnc(C)nc1)C2 ZINC000329081432 180145765 /nfs/dbraw/zinc/14/57/65/180145765.db2.gz RVHDMKHQPXTEJP-UHFFFAOYSA-N 1 2 244.302 0.701 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](Cc1cnc(C)nc1)C2 ZINC000329081432 180145767 /nfs/dbraw/zinc/14/57/67/180145767.db2.gz RVHDMKHQPXTEJP-UHFFFAOYSA-N 1 2 244.302 0.701 20 0 BCADLO Cc1nc(N2CC[C@H](N3CCCC3=O)C2)cc[nH+]1 ZINC000276775911 180194380 /nfs/dbraw/zinc/19/43/80/180194380.db2.gz NURQCZKVCVVYPW-NSHDSACASA-N 1 2 246.314 0.986 20 0 BCADLO Cc1nc(N2C[C@@H](O)C(C)(C)C2)cc[nH+]1 ZINC000279329824 180194706 /nfs/dbraw/zinc/19/47/06/180194706.db2.gz DBPKGPJTHFOBOD-SECBINFHSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc[nH+]1 ZINC000364430975 180194827 /nfs/dbraw/zinc/19/48/27/180194827.db2.gz RRVJUWWKFLKDGN-NHCYSSNCSA-N 1 2 246.314 0.875 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000357666303 180195169 /nfs/dbraw/zinc/19/51/69/180195169.db2.gz YWZQOOKPVYFTHU-WPRPVWTQSA-N 1 2 207.277 0.850 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@H](C)O)C2)cc[nH+]1 ZINC000228161763 180195309 /nfs/dbraw/zinc/19/53/09/180195309.db2.gz UBWSFHAKBHJCBA-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000362035971 180196108 /nfs/dbraw/zinc/19/61/08/180196108.db2.gz KELPCRUVSGUFJV-UHFFFAOYSA-N 1 2 232.247 0.830 20 0 BCADLO Cc1nc(NCCC(=O)N(C)C)cc[nH+]1 ZINC000054935939 180198150 /nfs/dbraw/zinc/19/81/50/180198150.db2.gz TXRWSURAZYGAJG-UHFFFAOYSA-N 1 2 208.265 0.675 20 0 BCADLO Cc1nc(NCCNC(=O)c2ccn[nH]2)cc[nH+]1 ZINC000272448136 180198381 /nfs/dbraw/zinc/19/83/81/180198381.db2.gz JKAMEERSLYOYSG-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO Cc1nc(NCCNC(=O)C2CC2)cc[nH+]1 ZINC000127160366 180199138 /nfs/dbraw/zinc/19/91/38/180199138.db2.gz PIHPPYVFMPJXES-UHFFFAOYSA-N 1 2 220.276 0.723 20 0 BCADLO Cc1nc(NC[C@@]2(O)CCO[C@H]2C)cc[nH+]1 ZINC000228007371 180200447 /nfs/dbraw/zinc/20/04/47/180200447.db2.gz FWDWLVSVQBOXKU-KWQFWETISA-N 1 2 223.276 0.737 20 0 BCADLO CC(C)(O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000427511601 191079304 /nfs/dbraw/zinc/07/93/04/191079304.db2.gz LISWIXNXTUNBDK-SSDOTTSWSA-N 1 2 223.276 0.154 20 0 BCADLO CC(C)(O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000427511601 191079306 /nfs/dbraw/zinc/07/93/06/191079306.db2.gz LISWIXNXTUNBDK-SSDOTTSWSA-N 1 2 223.276 0.154 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000027214301 350212826 /nfs/dbraw/zinc/21/28/26/350212826.db2.gz ZVCGHYXYKGPAKQ-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000027214301 350212828 /nfs/dbraw/zinc/21/28/28/350212828.db2.gz ZVCGHYXYKGPAKQ-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637131070 350212856 /nfs/dbraw/zinc/21/28/56/350212856.db2.gz TXAJJEPJEHXHEW-NQMVMOMDSA-N 1 2 220.276 0.515 20 0 BCADLO Cc1nccc(C[N@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000373603821 180183512 /nfs/dbraw/zinc/18/35/12/180183512.db2.gz LWETVDUAAQGQGS-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000373603821 180183514 /nfs/dbraw/zinc/18/35/14/180183514.db2.gz LWETVDUAAQGQGS-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)n1 ZINC000352973822 180185522 /nfs/dbraw/zinc/18/55/22/180185522.db2.gz CDUORVZFVNHSBF-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)n1 ZINC000352973822 180185523 /nfs/dbraw/zinc/18/55/23/180185523.db2.gz CDUORVZFVNHSBF-BXKDBHETSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000338365677 180185574 /nfs/dbraw/zinc/18/55/74/180185574.db2.gz JBZYLEABMSLKQM-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000338365677 180185576 /nfs/dbraw/zinc/18/55/76/180185576.db2.gz JBZYLEABMSLKQM-TXEJJXNPSA-N 1 2 235.287 0.385 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccnc(C)n2)c[nH+]1 ZINC000339242259 180187582 /nfs/dbraw/zinc/18/75/82/180187582.db2.gz TXGCWMHSVZGQLU-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1ncccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338966603 180221235 /nfs/dbraw/zinc/22/12/35/180221235.db2.gz XQCMOJHYPAXUGK-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1ncccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338966603 180221238 /nfs/dbraw/zinc/22/12/38/180221238.db2.gz XQCMOJHYPAXUGK-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1[nH+]ccn1CCCCNC(=O)c1cn[nH]n1 ZINC000129839071 180235168 /nfs/dbraw/zinc/23/51/68/180235168.db2.gz OZKKKUNVHMZKFE-UHFFFAOYSA-N 1 2 248.290 0.520 20 0 BCADLO Cc1[nH+]ccn1CCCCNC(=O)c1cnn[nH]1 ZINC000129839071 180235170 /nfs/dbraw/zinc/23/51/70/180235170.db2.gz OZKKKUNVHMZKFE-UHFFFAOYSA-N 1 2 248.290 0.520 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N1CC=CC1 ZINC000637187432 350246322 /nfs/dbraw/zinc/24/63/22/350246322.db2.gz OKFSUNXZGBSNIB-UHFFFAOYSA-N 1 2 220.276 0.984 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)CC[S@](=O)C1 ZINC000617880708 350248297 /nfs/dbraw/zinc/24/82/97/350248297.db2.gz VRZGAXRKQJUETC-PSLIRLAXSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CC[S@](=O)C1 ZINC000617880708 350248301 /nfs/dbraw/zinc/24/83/01/350248301.db2.gz VRZGAXRKQJUETC-PSLIRLAXSA-N 1 2 227.333 0.610 20 0 BCADLO CCC1(CO)CC[NH+](Cc2ncnn2C)CC1 ZINC000128104346 191088100 /nfs/dbraw/zinc/08/81/00/191088100.db2.gz HVFDPHBFXTXNAM-UHFFFAOYSA-N 1 2 238.335 0.800 20 0 BCADLO Cc1nccnc1N(C)CC[NH+]1CCOCC1 ZINC000290721603 180274532 /nfs/dbraw/zinc/27/45/32/180274532.db2.gz YXLKTAJUKUSTPW-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO Cc1nsc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000083648338 350267769 /nfs/dbraw/zinc/26/77/69/350267769.db2.gz KKJWMZGOCIRBAX-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO Cc1ncncc1C(=O)NCCCn1cc[nH+]c1 ZINC000298663476 180293751 /nfs/dbraw/zinc/29/37/51/180293751.db2.gz ROPLKTBOZMLGJX-UHFFFAOYSA-N 1 2 245.286 0.802 20 0 BCADLO Cc1ncncc1C(=O)NCc1[nH+]ccn1C ZINC000264250020 180295308 /nfs/dbraw/zinc/29/53/08/180295308.db2.gz BCSOBVKPVNPDTQ-UHFFFAOYSA-N 1 2 231.259 0.449 20 0 BCADLO Cc1nccnc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000214305264 180278641 /nfs/dbraw/zinc/27/86/41/180278641.db2.gz FMCBKJWNOKTGJM-JTQLQIEISA-N 1 2 236.319 0.918 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000125856883 490465850 /nfs/dbraw/zinc/46/58/50/490465850.db2.gz LRHYLAYTJWDBTN-NSHDSACASA-N 1 2 239.319 0.893 20 0 BCADLO COCC[N@H+](Cc1cc[nH]n1)[C@H]1CCOC1 ZINC000426521578 191096127 /nfs/dbraw/zinc/09/61/27/191096127.db2.gz HQYYGRJWKKFBMR-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO COCC[N@@H+](Cc1cc[nH]n1)[C@H]1CCOC1 ZINC000426521578 191096130 /nfs/dbraw/zinc/09/61/30/191096130.db2.gz HQYYGRJWKKFBMR-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000617958866 350371466 /nfs/dbraw/zinc/37/14/66/350371466.db2.gz UINQWRJIVBAMLP-XYPYZODXSA-N 1 2 237.303 0.957 20 0 BCADLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000309402989 350371781 /nfs/dbraw/zinc/37/17/81/350371781.db2.gz AKEIAKZQOVIWMY-ZJUUUORDSA-N 1 2 223.276 0.841 20 0 BCADLO O=C(NCCCO)Nc1ccc2[nH+]ccn2c1 ZINC000606581055 350374149 /nfs/dbraw/zinc/37/41/49/350374149.db2.gz OQOKSPGIUCFSLH-UHFFFAOYSA-N 1 2 234.259 0.838 20 0 BCADLO CC[N@H+](Cc1ncnn1C)[C@H]1CCOC1 ZINC000336675216 350437193 /nfs/dbraw/zinc/43/71/93/350437193.db2.gz HLSHPGOGSLBJTI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC[N@@H+](Cc1ncnn1C)[C@H]1CCOC1 ZINC000336675216 350437196 /nfs/dbraw/zinc/43/71/96/350437196.db2.gz HLSHPGOGSLBJTI-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COC[C@@H](CCNC(=O)Cn1cc[nH+]c1)OC ZINC000617236726 350419368 /nfs/dbraw/zinc/41/93/68/350419368.db2.gz ZXAGFDKSRBVVNU-SNVBAGLBSA-N 1 2 241.291 0.051 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOCC(C)C ZINC000336661835 350424136 /nfs/dbraw/zinc/42/41/36/350424136.db2.gz AISXRQKHGGMBLW-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC(C)C ZINC000336661835 350424138 /nfs/dbraw/zinc/42/41/38/350424138.db2.gz AISXRQKHGGMBLW-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CCCO1 ZINC000336665973 350426888 /nfs/dbraw/zinc/42/68/88/350426888.db2.gz KAQMXSHFZGHSIJ-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CCCO1 ZINC000336665973 350426889 /nfs/dbraw/zinc/42/68/89/350426889.db2.gz KAQMXSHFZGHSIJ-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](CO)CCCNC(=O)Cn1cc[nH+]c1 ZINC000309265791 323337094 /nfs/dbraw/zinc/33/70/94/323337094.db2.gz CSBNZUAPBPUAOW-SNVBAGLBSA-N 1 2 225.292 0.408 20 0 BCADLO Cc1nn(C)cc1C[N@H+](C)CC(=O)NC1CC1 ZINC000014192126 180371348 /nfs/dbraw/zinc/37/13/48/180371348.db2.gz RYWOZRFOXLLQLA-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1nn(C)cc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000014192126 180371350 /nfs/dbraw/zinc/37/13/50/180371350.db2.gz RYWOZRFOXLLQLA-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998132 191104990 /nfs/dbraw/zinc/10/49/90/191104990.db2.gz UXAJDVGZIXBRAL-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cn[nH]c1 ZINC000309416053 323394823 /nfs/dbraw/zinc/39/48/23/323394823.db2.gz WDBZXLXKJFRYKV-QMMMGPOBSA-N 1 2 219.248 0.484 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000051130749 350604423 /nfs/dbraw/zinc/60/44/23/350604423.db2.gz COIQIDIVGSAHFV-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000051130749 350604426 /nfs/dbraw/zinc/60/44/26/350604426.db2.gz COIQIDIVGSAHFV-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](F)C1 ZINC000637441702 350582890 /nfs/dbraw/zinc/58/28/90/350582890.db2.gz NHDBVSXUNYQNFQ-VHSXEESVSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](F)C1 ZINC000637441702 350582893 /nfs/dbraw/zinc/58/28/93/350582893.db2.gz NHDBVSXUNYQNFQ-VHSXEESVSA-N 1 2 245.298 0.070 20 0 BCADLO CCc1nnc(C[N@H+](CC)CCOCCO)[nH]1 ZINC000337439444 350586307 /nfs/dbraw/zinc/58/63/07/350586307.db2.gz LKAJLTAHDRTXST-UHFFFAOYSA-N 1 2 242.323 0.198 20 0 BCADLO CCc1nnc(C[N@@H+](CC)CCOCCO)[nH]1 ZINC000337439444 350586311 /nfs/dbraw/zinc/58/63/11/350586311.db2.gz LKAJLTAHDRTXST-UHFFFAOYSA-N 1 2 242.323 0.198 20 0 BCADLO CCCN(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445330 350586818 /nfs/dbraw/zinc/58/68/18/350586818.db2.gz JLTLUDMPWSWWSF-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CCCN(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445330 350586819 /nfs/dbraw/zinc/58/68/19/350586819.db2.gz JLTLUDMPWSWWSF-LLVKDONJSA-N 1 2 243.351 0.759 20 0 BCADLO CC[C@H](NC(=O)Cc1ccnn1C)c1[nH]cc[nH+]1 ZINC000444366051 191113034 /nfs/dbraw/zinc/11/30/34/191113034.db2.gz DLWIYHVVXIZRPM-JTQLQIEISA-N 1 2 247.302 0.953 20 0 BCADLO CC(C)CN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338028790 350660817 /nfs/dbraw/zinc/66/08/17/350660817.db2.gz DCCCAKYJPGPBNO-LBPRGKRZSA-N 1 2 241.379 0.737 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623557828 362977448 /nfs/dbraw/zinc/97/74/48/362977448.db2.gz JNKRBOIHXWQUSH-KXUCPTDWSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623557828 362977453 /nfs/dbraw/zinc/97/74/53/362977453.db2.gz JNKRBOIHXWQUSH-KXUCPTDWSA-N 1 2 227.308 0.025 20 0 BCADLO CCc1cnc(NC(=O)[C@@H]2COCC[NH2+]2)s1 ZINC000237016764 350745351 /nfs/dbraw/zinc/74/53/51/350745351.db2.gz YMDPGEJWJZMPIY-QMMMGPOBSA-N 1 2 241.316 0.632 20 0 BCADLO CC(C)C[N@@H+]1CCO[C@H](C[NH+](C)CC(=O)[O-])C1 ZINC000035305549 358457834 /nfs/dbraw/zinc/45/78/34/358457834.db2.gz FEFIISUKRAVQCB-LLVKDONJSA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[N@H+]1CCO[C@H](C[NH+](C)CC(=O)[O-])C1 ZINC000035305549 358457838 /nfs/dbraw/zinc/45/78/38/358457838.db2.gz FEFIISUKRAVQCB-LLVKDONJSA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[NH+]1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000035305549 358457840 /nfs/dbraw/zinc/45/78/40/358457840.db2.gz FEFIISUKRAVQCB-LLVKDONJSA-N 1 2 244.335 0.360 20 0 BCADLO CC(C)C[NH+]1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000035305549 358457845 /nfs/dbraw/zinc/45/78/45/358457845.db2.gz FEFIISUKRAVQCB-LLVKDONJSA-N 1 2 244.335 0.360 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nncn2C)C1 ZINC000177463128 366001543 /nfs/dbraw/zinc/00/15/43/366001543.db2.gz RWOCBCYJLYLXEL-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nncn2C)C1 ZINC000177463128 366001548 /nfs/dbraw/zinc/00/15/48/366001548.db2.gz RWOCBCYJLYLXEL-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO CC[N@H+](Cc1ncnn1CCF)[C@H](C)CO ZINC000339627548 350769517 /nfs/dbraw/zinc/76/95/17/350769517.db2.gz DQJLCZWJXWOTNO-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO CC[N@@H+](Cc1ncnn1CCF)[C@H](C)CO ZINC000339627548 350769520 /nfs/dbraw/zinc/76/95/20/350769520.db2.gz DQJLCZWJXWOTNO-SECBINFHSA-N 1 2 230.287 0.450 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@H](O)C2CCC2)C1 ZINC000581736102 350774256 /nfs/dbraw/zinc/77/42/56/350774256.db2.gz LRZURSOTKDKZGX-NSHDSACASA-N 1 2 240.347 0.605 20 0 BCADLO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccn[nH]1 ZINC000164923190 191122836 /nfs/dbraw/zinc/12/28/36/191122836.db2.gz HPYLHSKINQMWLU-UHFFFAOYSA-N 1 2 245.348 0.713 20 0 BCADLO OC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607058639 350810811 /nfs/dbraw/zinc/81/08/11/350810811.db2.gz WDBKNAVQNRDACX-UHFFFAOYSA-N 1 2 245.286 0.623 20 0 BCADLO Cc1nsc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000301364510 180521417 /nfs/dbraw/zinc/52/14/17/180521417.db2.gz PQQUYYQARZPFLS-MRVPVSSYSA-N 1 2 242.348 0.979 20 0 BCADLO C[N@H+](CC(N)=O)CC(=O)NCC1CCCCC1 ZINC000051826834 350850518 /nfs/dbraw/zinc/85/05/18/350850518.db2.gz FNHMIADIICBLKB-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO C[N@@H+](CC(N)=O)CC(=O)NCC1CCCCC1 ZINC000051826834 350850520 /nfs/dbraw/zinc/85/05/20/350850520.db2.gz FNHMIADIICBLKB-UHFFFAOYSA-N 1 2 241.335 0.100 20 0 BCADLO CCOC1CC([N@H+](C)Cc2nnnn2C)C1 ZINC000347453136 133835208 /nfs/dbraw/zinc/83/52/08/133835208.db2.gz QIGVHMMDJYRQNM-UHFFFAOYSA-N 1 2 225.296 0.209 20 0 BCADLO CCOC1CC([N@@H+](C)Cc2nnnn2C)C1 ZINC000347453136 133835209 /nfs/dbraw/zinc/83/52/09/133835209.db2.gz QIGVHMMDJYRQNM-UHFFFAOYSA-N 1 2 225.296 0.209 20 0 BCADLO CNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000571223255 350869139 /nfs/dbraw/zinc/86/91/39/350869139.db2.gz UFMRRBYCOFBYLJ-UHFFFAOYSA-N 1 2 231.299 0.917 20 0 BCADLO CNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000571223255 350869142 /nfs/dbraw/zinc/86/91/42/350869142.db2.gz UFMRRBYCOFBYLJ-UHFFFAOYSA-N 1 2 231.299 0.917 20 0 BCADLO CC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(=O)OC ZINC000577596093 366011384 /nfs/dbraw/zinc/01/13/84/366011384.db2.gz MGBNWKVOQAWIPL-HTQZYQBOSA-N 1 2 239.275 0.786 20 0 BCADLO CC(=O)N[C@@H]1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628315779 350913206 /nfs/dbraw/zinc/91/32/06/350913206.db2.gz WJJAYSYKCUCFFY-LLVKDONJSA-N 1 2 236.319 0.737 20 0 BCADLO C[C@H](O)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607143842 350944181 /nfs/dbraw/zinc/94/41/81/350944181.db2.gz LBZLGKLQYILLKG-VIFPVBQESA-N 1 2 233.275 0.479 20 0 BCADLO C[C@@H](N(C)C(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394845043 351049283 /nfs/dbraw/zinc/04/92/83/351049283.db2.gz HWRLPNDZVMPWFV-SECBINFHSA-N 1 2 225.292 0.501 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000052635228 351062712 /nfs/dbraw/zinc/06/27/12/351062712.db2.gz JMPAPXIDEIWHCV-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC=CCC1 ZINC000052893767 351078102 /nfs/dbraw/zinc/07/81/02/351078102.db2.gz MXQXETGRGIHLMK-GFCCVEGCSA-N 1 2 238.331 0.791 20 0 BCADLO CCc1nocc1C[NH2+]Cc1cnn[nH]1 ZINC000623578583 363011188 /nfs/dbraw/zinc/01/11/88/363011188.db2.gz ODTFGTOIMJOBNX-UHFFFAOYSA-N 1 2 207.237 0.645 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)ccn1 ZINC000623578535 363011257 /nfs/dbraw/zinc/01/12/57/363011257.db2.gz LZJUJUTWRWVGOT-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000628321740 351183575 /nfs/dbraw/zinc/18/35/75/351183575.db2.gz ZPWWQIUWCJCVCW-UHFFFAOYSA-N 1 2 235.287 0.859 20 0 BCADLO Cc1ccnc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000336643145 191133791 /nfs/dbraw/zinc/13/37/91/191133791.db2.gz BRYMUBNSPFDLOH-JTQLQIEISA-N 1 2 209.293 0.988 20 0 BCADLO Cc1ccnc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000336643145 191133794 /nfs/dbraw/zinc/13/37/94/191133794.db2.gz BRYMUBNSPFDLOH-JTQLQIEISA-N 1 2 209.293 0.988 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC000628322542 351206958 /nfs/dbraw/zinc/20/69/58/351206958.db2.gz ZAZQVFUGZSPODF-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC000628322542 351206961 /nfs/dbraw/zinc/20/69/61/351206961.db2.gz ZAZQVFUGZSPODF-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000628338630 351285671 /nfs/dbraw/zinc/28/56/71/351285671.db2.gz QUOVSOPGLVGIQA-SNVBAGLBSA-N 1 2 225.292 0.565 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000628338630 351285673 /nfs/dbraw/zinc/28/56/73/351285673.db2.gz QUOVSOPGLVGIQA-SNVBAGLBSA-N 1 2 225.292 0.565 20 0 BCADLO Cn1c[nH+]c(CCNc2cccnn2)c1 ZINC000313471741 351364055 /nfs/dbraw/zinc/36/40/55/351364055.db2.gz QTESDQBVPXKQNK-UHFFFAOYSA-N 1 2 203.249 0.865 20 0 BCADLO C/C=C\CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000623600386 363038868 /nfs/dbraw/zinc/03/88/68/363038868.db2.gz LRDAJWBSELUCLD-DOGVGXBMSA-N 1 2 240.351 0.108 20 0 BCADLO C/C=C\CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000623600386 363038875 /nfs/dbraw/zinc/03/88/75/363038875.db2.gz LRDAJWBSELUCLD-DOGVGXBMSA-N 1 2 240.351 0.108 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1Cc1c[nH+]cn1C ZINC000088094294 351569302 /nfs/dbraw/zinc/56/93/02/351569302.db2.gz QGVCVLRHBIUXRK-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO c1[nH]c2ncncc2c1C[NH+]1CCOCC1 ZINC000637811981 351647401 /nfs/dbraw/zinc/64/74/01/351647401.db2.gz UNEXUMQJYWCOGL-UHFFFAOYSA-N 1 2 218.260 0.742 20 0 BCADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@@H]2COC[C@@H]21 ZINC000577713527 366041176 /nfs/dbraw/zinc/04/11/76/366041176.db2.gz ZDXPPYDHHJULCG-WDEREUQCSA-N 1 2 249.314 0.767 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637873259 351739717 /nfs/dbraw/zinc/73/97/17/351739717.db2.gz JSHYDGAVCNJOTK-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637873261 351739996 /nfs/dbraw/zinc/73/99/96/351739996.db2.gz JSHYDGAVCNJOTK-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)[nH]1 ZINC000278888211 351789344 /nfs/dbraw/zinc/78/93/44/351789344.db2.gz NWCVZFCOWMYEFB-GFCCVEGCSA-N 1 2 249.318 0.079 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)[nH]1 ZINC000278888211 351789347 /nfs/dbraw/zinc/78/93/47/351789347.db2.gz NWCVZFCOWMYEFB-GFCCVEGCSA-N 1 2 249.318 0.079 20 0 BCADLO Cn1nc2c(c1C[N@H+](C)CC(N)=O)CCCC2 ZINC000637893471 351764650 /nfs/dbraw/zinc/76/46/50/351764650.db2.gz JHODZQBBYMHAOZ-UHFFFAOYSA-N 1 2 236.319 0.216 20 0 BCADLO Cn1nc2c(c1C[N@@H+](C)CC(N)=O)CCCC2 ZINC000637893471 351764651 /nfs/dbraw/zinc/76/46/51/351764651.db2.gz JHODZQBBYMHAOZ-UHFFFAOYSA-N 1 2 236.319 0.216 20 0 BCADLO CC1(C)CC[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000278552304 351769828 /nfs/dbraw/zinc/76/98/28/351769828.db2.gz OMEKHUIQLZBTGW-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)no1 ZINC000280734455 351858490 /nfs/dbraw/zinc/85/84/90/351858490.db2.gz LRUOVKQSEIIWEU-NSHDSACASA-N 1 2 238.291 0.329 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@](C)(C(N)=O)C2)no1 ZINC000280734455 351858493 /nfs/dbraw/zinc/85/84/93/351858493.db2.gz LRUOVKQSEIIWEU-NSHDSACASA-N 1 2 238.291 0.329 20 0 BCADLO CCCN(Cc1c[nH+]c(N)nc1N)CC(F)F ZINC000637994913 351872917 /nfs/dbraw/zinc/87/29/17/351872917.db2.gz YHIODTOCPLXEPU-UHFFFAOYSA-N 1 2 245.277 0.779 20 0 BCADLO CC[N@H+](Cc1cc[nH]n1)[C@@H]1CCNC1=O ZINC000281844287 351912390 /nfs/dbraw/zinc/91/23/90/351912390.db2.gz TYOPODOJFQGYGF-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CC[N@@H+](Cc1cc[nH]n1)[C@@H]1CCNC1=O ZINC000281844287 351912391 /nfs/dbraw/zinc/91/23/91/351912391.db2.gz TYOPODOJFQGYGF-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000281922107 351916664 /nfs/dbraw/zinc/91/66/64/351916664.db2.gz AOHQXZWIAZJROW-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(CO)cc1 ZINC000281922107 351916668 /nfs/dbraw/zinc/91/66/68/351916668.db2.gz AOHQXZWIAZJROW-UHFFFAOYSA-N 1 2 248.326 0.889 20 0 BCADLO CC(C)N(Cc1c[nH+]c(N)nc1N)CC(F)F ZINC000638176696 352043252 /nfs/dbraw/zinc/04/32/52/352043252.db2.gz GKJAQNQUVHCJAG-UHFFFAOYSA-N 1 2 245.277 0.777 20 0 BCADLO COc1ncc(C[N@H+](C)[C@H]2CCNC2=O)s1 ZINC000638182329 352049548 /nfs/dbraw/zinc/04/95/48/352049548.db2.gz KFQRGJHJVVCFTK-QMMMGPOBSA-N 1 2 241.316 0.472 20 0 BCADLO COc1ncc(C[N@@H+](C)[C@H]2CCNC2=O)s1 ZINC000638182329 352049550 /nfs/dbraw/zinc/04/95/50/352049550.db2.gz KFQRGJHJVVCFTK-QMMMGPOBSA-N 1 2 241.316 0.472 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1ccncc1 ZINC000340214736 352059201 /nfs/dbraw/zinc/05/92/01/352059201.db2.gz XZUWWWOIYLPVLU-UHFFFAOYSA-N 1 2 223.276 0.020 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000340214736 352059203 /nfs/dbraw/zinc/05/92/03/352059203.db2.gz XZUWWWOIYLPVLU-UHFFFAOYSA-N 1 2 223.276 0.020 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cnns2)[C@H](C)C1 ZINC000288378384 352146855 /nfs/dbraw/zinc/14/68/55/352146855.db2.gz KECWWUCPJYVICS-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cnns2)[C@H](C)C1 ZINC000288378384 352146856 /nfs/dbraw/zinc/14/68/56/352146856.db2.gz KECWWUCPJYVICS-MRVPVSSYSA-N 1 2 240.332 0.704 20 0 BCADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)cs1 ZINC000411165996 191166264 /nfs/dbraw/zinc/16/62/64/191166264.db2.gz RHPPTVJRFXACMU-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)cs1 ZINC000411165996 191166267 /nfs/dbraw/zinc/16/62/67/191166267.db2.gz RHPPTVJRFXACMU-UHFFFAOYSA-N 1 2 242.300 0.452 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1ccncc1 ZINC000336007152 538102375 /nfs/dbraw/zinc/10/23/75/538102375.db2.gz IXCQAYQBWMQGDV-UHFFFAOYSA-N 1 2 231.259 0.559 20 0 BCADLO CC[C@@H](OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290958161 352252037 /nfs/dbraw/zinc/25/20/37/352252037.db2.gz RFPFRGLSSSKFIH-SNVBAGLBSA-N 1 2 223.276 0.650 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N(C)C2)o1 ZINC000638477977 352286702 /nfs/dbraw/zinc/28/67/02/352286702.db2.gz UNCAHVSQOMESLO-MRVPVSSYSA-N 1 2 209.249 0.303 20 0 BCADLO CC1(O)CC[NH+](Cc2cnns2)CC1 ZINC000307353630 352298980 /nfs/dbraw/zinc/29/89/80/352298980.db2.gz ONGJVPMYKMROGN-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H](C)O ZINC000411234310 191172458 /nfs/dbraw/zinc/17/24/58/191172458.db2.gz XXDQYWFHKRZUIS-QMMMGPOBSA-N 1 2 203.282 0.689 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000336065251 538102907 /nfs/dbraw/zinc/10/29/07/538102907.db2.gz NWEKMWPLQQNMIR-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000336065251 538102908 /nfs/dbraw/zinc/10/29/08/538102908.db2.gz NWEKMWPLQQNMIR-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cc(C2CC2)n[nH]1 ZINC000607948645 352452748 /nfs/dbraw/zinc/45/27/48/352452748.db2.gz ISNIBMFCCBYSQM-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cc(C2CC2)n[nH]1 ZINC000607948645 352452752 /nfs/dbraw/zinc/45/27/52/352452752.db2.gz ISNIBMFCCBYSQM-UHFFFAOYSA-N 1 2 231.259 0.940 20 0 BCADLO CSCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151229111 352473841 /nfs/dbraw/zinc/47/38/41/352473841.db2.gz DUBMEZSLBXVXNJ-SECBINFHSA-N 1 2 248.417 0.903 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCOC1 ZINC000380172227 352550816 /nfs/dbraw/zinc/55/08/16/352550816.db2.gz LDAUVSDDQNJWFY-QMMMGPOBSA-N 1 2 209.249 0.371 20 0 BCADLO NC(=O)Cc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000608055947 352652031 /nfs/dbraw/zinc/65/20/31/352652031.db2.gz SDSSOTCDPODPQF-UHFFFAOYSA-N 1 2 244.298 0.727 20 0 BCADLO CC[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000073735067 352672018 /nfs/dbraw/zinc/67/20/18/352672018.db2.gz LVQPROAQVPZXKE-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411860211 191222786 /nfs/dbraw/zinc/22/27/86/191222786.db2.gz LGCCXJWWNCIZQR-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411860211 191222789 /nfs/dbraw/zinc/22/27/89/191222789.db2.gz LGCCXJWWNCIZQR-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO COC(=O)C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411960761 191234530 /nfs/dbraw/zinc/23/45/30/191234530.db2.gz ZHSXDDWKBNKVII-KCJUWKMLSA-N 1 2 215.293 0.953 20 0 BCADLO CCN1CC(=O)N[C@H]1c1[nH+]cc(C)n1C ZINC000341401231 352704765 /nfs/dbraw/zinc/70/47/65/352704765.db2.gz YSTPXDHSJNPSSY-SNVBAGLBSA-N 1 2 208.265 0.179 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)[C@@](C)(O)C1CC1)C2 ZINC000367721331 180775573 /nfs/dbraw/zinc/77/55/73/180775573.db2.gz PPUOOENYBLOYFU-ZDUSSCGKSA-N 1 2 249.314 0.466 20 0 BCADLO Cn1c[nH+]cc1CN1CC(OCC(F)F)C1 ZINC000336693279 187833051 /nfs/dbraw/zinc/83/30/51/187833051.db2.gz COZZYSYHXDKWQV-UHFFFAOYSA-N 1 2 231.246 0.886 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC3)C[C@H]21 ZINC000334183926 352771901 /nfs/dbraw/zinc/77/19/01/352771901.db2.gz BRKGBGXFEKWXSA-GHMZBOCLSA-N 1 2 239.319 0.263 20 0 BCADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC3)C[C@H]21 ZINC000334183926 352771904 /nfs/dbraw/zinc/77/19/04/352771904.db2.gz BRKGBGXFEKWXSA-GHMZBOCLSA-N 1 2 239.319 0.263 20 0 BCADLO COC(=O)C1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000275314122 187850285 /nfs/dbraw/zinc/85/02/85/187850285.db2.gz RTLDMVSTYVNAED-UHFFFAOYSA-N 1 2 237.259 0.401 20 0 BCADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096642025 187873901 /nfs/dbraw/zinc/87/39/01/187873901.db2.gz WLPNIMWPPFHMHC-MNOVXSKESA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334235999 352853433 /nfs/dbraw/zinc/85/34/33/352853433.db2.gz HPUZLSPMHQLZAI-MNOVXSKESA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)N(C)C2CC2)CCN1C ZINC000334235999 352853436 /nfs/dbraw/zinc/85/34/36/352853436.db2.gz HPUZLSPMHQLZAI-MNOVXSKESA-N 1 2 239.363 0.632 20 0 BCADLO Cc1c[nH+]c(CN2CC[C@@](F)(CO)C2)n1C ZINC000342841697 352871047 /nfs/dbraw/zinc/87/10/47/352871047.db2.gz QNDFXBOATOHAGH-NSHDSACASA-N 1 2 227.283 0.635 20 0 BCADLO C[C@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334259964 352872656 /nfs/dbraw/zinc/87/26/56/352872656.db2.gz VHNPWBOQXZZPIP-NSHDSACASA-N 1 2 234.299 0.716 20 0 BCADLO C[C@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334259964 352872657 /nfs/dbraw/zinc/87/26/57/352872657.db2.gz VHNPWBOQXZZPIP-NSHDSACASA-N 1 2 234.299 0.716 20 0 BCADLO Cc1ncccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000342848812 352874560 /nfs/dbraw/zinc/87/45/60/352874560.db2.gz FRUVKLDYYXPCKY-UHFFFAOYSA-N 1 2 249.314 0.027 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334244678 352833935 /nfs/dbraw/zinc/83/39/35/352833935.db2.gz RBKXEZABRKKQRJ-XVKPBYJWSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000334244678 352833937 /nfs/dbraw/zinc/83/39/37/352833937.db2.gz RBKXEZABRKKQRJ-XVKPBYJWSA-N 1 2 231.271 0.264 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(F)cn1 ZINC000334278842 352912332 /nfs/dbraw/zinc/91/23/32/352912332.db2.gz UOYMYEBAAPILMD-VXGBXAGGSA-N 1 2 249.289 0.931 20 0 BCADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(F)cn1 ZINC000334278842 352912333 /nfs/dbraw/zinc/91/23/33/352912333.db2.gz UOYMYEBAAPILMD-VXGBXAGGSA-N 1 2 249.289 0.931 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000342869363 352883869 /nfs/dbraw/zinc/88/38/69/352883869.db2.gz WWZKBLYPFPQEBB-ZETCQYMHSA-N 1 2 226.305 0.386 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000342869363 352883873 /nfs/dbraw/zinc/88/38/73/352883873.db2.gz WWZKBLYPFPQEBB-ZETCQYMHSA-N 1 2 226.305 0.386 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000334261097 352893934 /nfs/dbraw/zinc/89/39/34/352893934.db2.gz XJLCNBZOZCTUCY-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000334261097 352893937 /nfs/dbraw/zinc/89/39/37/352893937.db2.gz XJLCNBZOZCTUCY-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1ccncc1 ZINC000334302693 352939401 /nfs/dbraw/zinc/93/94/01/352939401.db2.gz BKUJIEQZGPQXQG-UHFFFAOYSA-N 1 2 231.259 0.559 20 0 BCADLO Cn1ncc(CNc2ccc(CO)c[nH+]2)n1 ZINC000294605448 180817073 /nfs/dbraw/zinc/81/70/73/180817073.db2.gz IFZOFZAIZCYHOP-UHFFFAOYSA-N 1 2 219.248 0.315 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618780 538107492 /nfs/dbraw/zinc/10/74/92/538107492.db2.gz XBMVMFPJLBBZDI-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618780 538107493 /nfs/dbraw/zinc/10/74/93/538107493.db2.gz XBMVMFPJLBBZDI-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)COCC(F)F ZINC000626420608 353055250 /nfs/dbraw/zinc/05/52/50/353055250.db2.gz MFHRBZHKKKPMKE-UHFFFAOYSA-N 1 2 247.245 0.361 20 0 BCADLO CC(C)[C@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334411042 535199124 /nfs/dbraw/zinc/19/91/24/535199124.db2.gz JZGMPVWUMHMPRJ-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCOCC2(CC2)C1 ZINC000329485130 538109038 /nfs/dbraw/zinc/10/90/38/538109038.db2.gz FVEXBQQNACXLHT-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCOCC2(CC2)C1 ZINC000329485130 538109039 /nfs/dbraw/zinc/10/90/39/538109039.db2.gz FVEXBQQNACXLHT-UHFFFAOYSA-N 1 2 249.314 0.981 20 0 BCADLO CC(C)COC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368335770 188072816 /nfs/dbraw/zinc/07/28/16/188072816.db2.gz ZLPZVZTVHBRDNO-GRYCIOLGSA-N 1 2 229.320 0.493 20 0 BCADLO CC(C)COC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368335770 188072817 /nfs/dbraw/zinc/07/28/17/188072817.db2.gz ZLPZVZTVHBRDNO-GRYCIOLGSA-N 1 2 229.320 0.493 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000369359071 188074054 /nfs/dbraw/zinc/07/40/54/188074054.db2.gz PVUNFKAOVAPQIC-LKFCYVNXSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000369359071 188074056 /nfs/dbraw/zinc/07/40/56/188074056.db2.gz PVUNFKAOVAPQIC-LKFCYVNXSA-N 1 2 217.334 0.808 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000120633245 188075445 /nfs/dbraw/zinc/07/54/45/188075445.db2.gz BNJCDNMOCWUXML-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000120633245 188075447 /nfs/dbraw/zinc/07/54/47/188075447.db2.gz BNJCDNMOCWUXML-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO O=C(NCCF)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000376507883 188077307 /nfs/dbraw/zinc/07/73/07/188077307.db2.gz YFRCZCQLYFZOHP-LLVKDONJSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(NCCF)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000376507883 188077309 /nfs/dbraw/zinc/07/73/09/188077309.db2.gz YFRCZCQLYFZOHP-LLVKDONJSA-N 1 2 244.310 0.716 20 0 BCADLO CC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000375802634 188077313 /nfs/dbraw/zinc/07/73/13/188077313.db2.gz VKFZIONAECVBEZ-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000375802634 188077314 /nfs/dbraw/zinc/07/73/14/188077314.db2.gz VKFZIONAECVBEZ-RYUDHWBXSA-N 1 2 227.304 0.845 20 0 BCADLO C/C=C(\CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000376416383 188077491 /nfs/dbraw/zinc/07/74/91/188077491.db2.gz RKPXEOSFGFTUDC-NDZKXSSTSA-N 1 2 237.347 0.459 20 0 BCADLO CON(C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000376317694 188078218 /nfs/dbraw/zinc/07/82/18/188078218.db2.gz BDHFJZJAURLTBC-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CON(C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000376317694 188078219 /nfs/dbraw/zinc/07/82/19/188078219.db2.gz BDHFJZJAURLTBC-NSHDSACASA-N 1 2 242.319 0.507 20 0 BCADLO CC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377436904 188079040 /nfs/dbraw/zinc/07/90/40/188079040.db2.gz VNPYOVIAFUNWAJ-UHFFFAOYSA-N 1 2 203.205 0.621 20 0 BCADLO O=c1cc(C[N@@H+]2CCCOCC2)occ1O ZINC000329723548 538109425 /nfs/dbraw/zinc/10/94/25/538109425.db2.gz CTZUMBYERUCACH-UHFFFAOYSA-N 1 2 225.244 0.568 20 0 BCADLO O=c1cc(C[N@H+]2CCCOCC2)occ1O ZINC000329723548 538109426 /nfs/dbraw/zinc/10/94/26/538109426.db2.gz CTZUMBYERUCACH-UHFFFAOYSA-N 1 2 225.244 0.568 20 0 BCADLO CC(C)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000330604118 353175925 /nfs/dbraw/zinc/17/59/25/353175925.db2.gz GPCJAMADFKDQOG-LLVKDONJSA-N 1 2 238.335 0.795 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331099664 353217936 /nfs/dbraw/zinc/21/79/36/353217936.db2.gz ATZBSSMRUQMAEX-MNOVXSKESA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331099664 353217939 /nfs/dbraw/zinc/21/79/39/353217939.db2.gz ATZBSSMRUQMAEX-MNOVXSKESA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331099665 353217958 /nfs/dbraw/zinc/21/79/58/353217958.db2.gz ATZBSSMRUQMAEX-QWRGUYRKSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)CC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331099665 353217959 /nfs/dbraw/zinc/21/79/59/353217959.db2.gz ATZBSSMRUQMAEX-QWRGUYRKSA-N 1 2 228.336 0.604 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000245383252 188155578 /nfs/dbraw/zinc/15/55/78/188155578.db2.gz OEJYTZFMHJDIMZ-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000245383252 188155579 /nfs/dbraw/zinc/15/55/79/188155579.db2.gz OEJYTZFMHJDIMZ-UWVGGRQHSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1ncnn1C ZINC000336691964 188164823 /nfs/dbraw/zinc/16/48/23/188164823.db2.gz HIWKIDTZZFCVDK-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1ncnn1C ZINC000336691964 188164825 /nfs/dbraw/zinc/16/48/25/188164825.db2.gz HIWKIDTZZFCVDK-UHFFFAOYSA-N 1 2 242.323 0.034 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000083975349 538112702 /nfs/dbraw/zinc/11/27/02/538112702.db2.gz NVJNFXUSXLTZMQ-JTQLQIEISA-N 1 2 224.308 0.410 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000083975349 538112703 /nfs/dbraw/zinc/11/27/03/538112703.db2.gz NVJNFXUSXLTZMQ-JTQLQIEISA-N 1 2 224.308 0.410 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000083975347 538112725 /nfs/dbraw/zinc/11/27/25/538112725.db2.gz NVJNFXUSXLTZMQ-SNVBAGLBSA-N 1 2 224.308 0.410 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000083975347 538112726 /nfs/dbraw/zinc/11/27/26/538112726.db2.gz NVJNFXUSXLTZMQ-SNVBAGLBSA-N 1 2 224.308 0.410 20 0 BCADLO OCCCN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000267009616 188195714 /nfs/dbraw/zinc/19/57/14/188195714.db2.gz GJRSJBASOZFGFM-UHFFFAOYSA-N 1 2 237.303 0.535 20 0 BCADLO CC(C)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268162671 188196207 /nfs/dbraw/zinc/19/62/07/188196207.db2.gz HLDHOTBVTJGIQC-UHFFFAOYSA-N 1 2 216.306 0.991 20 0 BCADLO CC(=O)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000337466241 188186557 /nfs/dbraw/zinc/18/65/57/188186557.db2.gz SGBFSBWOFYZQOY-UHFFFAOYSA-N 1 2 209.249 0.704 20 0 BCADLO CC[N@H+](Cc1cnc(C)cn1)[C@H]1CCNC1=O ZINC000331308804 353239871 /nfs/dbraw/zinc/23/98/71/353239871.db2.gz TWWUBWVNMLYZHQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CC[N@@H+](Cc1cnc(C)cn1)[C@H]1CCNC1=O ZINC000331308804 353239873 /nfs/dbraw/zinc/23/98/73/353239873.db2.gz TWWUBWVNMLYZHQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)nn1 ZINC000338592405 188189778 /nfs/dbraw/zinc/18/97/78/188189778.db2.gz ZKGKRKXKWSYFLP-NSHDSACASA-N 1 2 241.266 0.392 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)nn1 ZINC000338592405 188189779 /nfs/dbraw/zinc/18/97/79/188189779.db2.gz ZKGKRKXKWSYFLP-NSHDSACASA-N 1 2 241.266 0.392 20 0 BCADLO CC(C)(CO)[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000339727507 188192691 /nfs/dbraw/zinc/19/26/91/188192691.db2.gz FAXLTSXZTWZAFH-VIFPVBQESA-N 1 2 240.307 0.397 20 0 BCADLO CC(=O)NCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000331060604 188220370 /nfs/dbraw/zinc/22/03/70/188220370.db2.gz TVSPIWWVQMCOEB-JTQLQIEISA-N 1 2 238.291 0.359 20 0 BCADLO CC(C)C[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276568802 188202224 /nfs/dbraw/zinc/20/22/24/188202224.db2.gz JZXHDJUZBORICB-UFFNRZRYSA-N 1 2 237.303 0.946 20 0 BCADLO CC(C)C[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279214669 188205434 /nfs/dbraw/zinc/20/54/34/188205434.db2.gz OELQDZPYYUMQAK-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(=O)C1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000340058225 188205886 /nfs/dbraw/zinc/20/58/86/188205886.db2.gz IHCQZFPLRWYMGG-UHFFFAOYSA-N 1 2 221.260 0.737 20 0 BCADLO Cn1c[nH+]cc1CN1CC(=O)NCC1(C)C ZINC000282478605 188207238 /nfs/dbraw/zinc/20/72/38/188207238.db2.gz GXWSBKOHEFTYKS-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CC1(C)C[C@H]1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286151348 188207858 /nfs/dbraw/zinc/20/78/58/188207858.db2.gz ZWJNKWGSUWYSSH-DTWKUNHWSA-N 1 2 248.286 0.671 20 0 BCADLO CC1(C)C[C@H]1N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286151348 188207859 /nfs/dbraw/zinc/20/78/59/188207859.db2.gz ZWJNKWGSUWYSSH-DTWKUNHWSA-N 1 2 248.286 0.671 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(C)o2)C1 ZINC000291482162 188211599 /nfs/dbraw/zinc/21/15/99/188211599.db2.gz REFJMPRCDAKHBW-UHFFFAOYSA-N 1 2 208.261 0.908 20 0 BCADLO CC(C)[C@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000292053252 188212279 /nfs/dbraw/zinc/21/22/79/188212279.db2.gz YSPOOZXGKSALEU-MNOVXSKESA-N 1 2 239.319 0.652 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](C1CCCC1)C2 ZINC000336310822 188229081 /nfs/dbraw/zinc/22/90/81/188229081.db2.gz MXHGFWVPPOGTHR-UHFFFAOYSA-N 1 2 208.265 0.742 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](C1CCCC1)C2 ZINC000336310822 188229083 /nfs/dbraw/zinc/22/90/83/188229083.db2.gz MXHGFWVPPOGTHR-UHFFFAOYSA-N 1 2 208.265 0.742 20 0 BCADLO O=C1N=NC2C[N@@H+](C3CCCC3)CCN12 ZINC000336310822 188229084 /nfs/dbraw/zinc/22/90/84/188229084.db2.gz MXHGFWVPPOGTHR-UHFFFAOYSA-N 1 2 208.265 0.742 20 0 BCADLO O=C1N=NC2C[N@H+](C3CCCC3)CCN12 ZINC000336310822 188229086 /nfs/dbraw/zinc/22/90/86/188229086.db2.gz MXHGFWVPPOGTHR-UHFFFAOYSA-N 1 2 208.265 0.742 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000336360278 188229199 /nfs/dbraw/zinc/22/91/99/188229199.db2.gz FZMNJCAMXBFBSA-VHSXEESVSA-N 1 2 238.331 0.907 20 0 BCADLO CC(=O)C1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000336360278 188229200 /nfs/dbraw/zinc/22/92/00/188229200.db2.gz FZMNJCAMXBFBSA-VHSXEESVSA-N 1 2 238.331 0.907 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCCOC1 ZINC000352714875 188232124 /nfs/dbraw/zinc/23/21/24/188232124.db2.gz XZJRRXZHBFIDAA-UHFFFAOYSA-N 1 2 223.276 0.559 20 0 BCADLO CC(C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000336614089 188232356 /nfs/dbraw/zinc/23/23/56/188232356.db2.gz UNCMRUXOARWUBZ-VIFPVBQESA-N 1 2 200.282 0.184 20 0 BCADLO CC(C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000336614089 188232358 /nfs/dbraw/zinc/23/23/58/188232358.db2.gz UNCMRUXOARWUBZ-VIFPVBQESA-N 1 2 200.282 0.184 20 0 BCADLO CCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000308864230 491049324 /nfs/dbraw/zinc/04/93/24/491049324.db2.gz WILZDUPIZSBHHT-UHFFFAOYSA-N 1 2 208.265 0.784 20 0 BCADLO Cn1ccnc1[C@H]([NH2+]C1(C(N)=O)CC1)C1CC1 ZINC000639042721 353325794 /nfs/dbraw/zinc/32/57/94/353325794.db2.gz IZUHWAMVUZJCID-SECBINFHSA-N 1 2 234.303 0.479 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)nn1 ZINC000135613981 538115790 /nfs/dbraw/zinc/11/57/90/538115790.db2.gz DVOWOLXQLKQGRC-UHFFFAOYSA-N 1 2 231.259 0.747 20 0 BCADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)c(=O)[nH]1 ZINC000343286269 353355931 /nfs/dbraw/zinc/35/59/31/353355931.db2.gz LVLNKBFVYLELPH-UHFFFAOYSA-N 1 2 246.270 0.759 20 0 BCADLO CO[C@@](C)(C[N@@H+]1CCn2ncnc2C1)C1CC1 ZINC000639057847 353363960 /nfs/dbraw/zinc/36/39/60/353363960.db2.gz VWICLKCZTYVCQQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@](C)(C[N@H+]1CCn2ncnc2C1)C1CC1 ZINC000639057847 353363962 /nfs/dbraw/zinc/36/39/62/353363962.db2.gz VWICLKCZTYVCQQ-LBPRGKRZSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@@]1(C[NH2+]CC(F)(F)CO)CCOC1 ZINC000639051093 353349060 /nfs/dbraw/zinc/34/90/60/353349060.db2.gz AHEDWZWMEYQULL-MRVPVSSYSA-N 1 2 225.235 0.009 20 0 BCADLO C[C@@H]1CN(C(=O)C(=O)c2ccc[nH]2)C[C@H](C)[N@H+]1C ZINC000334506760 353369687 /nfs/dbraw/zinc/36/96/87/353369687.db2.gz OURQMYOZVHZYMY-AOOOYVTPSA-N 1 2 249.314 0.748 20 0 BCADLO C[C@@H]1CN(C(=O)C(=O)c2ccc[nH]2)C[C@H](C)[N@@H+]1C ZINC000334506760 353369689 /nfs/dbraw/zinc/36/96/89/353369689.db2.gz OURQMYOZVHZYMY-AOOOYVTPSA-N 1 2 249.314 0.748 20 0 BCADLO COCCCCC(=O)NCc1[nH+]ccn1C ZINC000343291488 353370766 /nfs/dbraw/zinc/37/07/66/353370766.db2.gz ZOTFACGGWHBXKW-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCc1cc(NC[C@](C)(O)CO)nc[nH+]1 ZINC000085253326 538116470 /nfs/dbraw/zinc/11/64/70/538116470.db2.gz IJFJATPDDKFKOS-JTQLQIEISA-N 1 2 211.265 0.194 20 0 BCADLO C[C@H]([NH2+]CC(=O)N(C)C)c1csnn1 ZINC000398323544 363221433 /nfs/dbraw/zinc/22/14/33/363221433.db2.gz JUDXBTNCPXHSHV-LURJTMIESA-N 1 2 214.294 0.277 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000191959786 353523702 /nfs/dbraw/zinc/52/37/02/353523702.db2.gz IIRBQPBNDSKSRG-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ncccn1 ZINC000191959786 353523703 /nfs/dbraw/zinc/52/37/03/353523703.db2.gz IIRBQPBNDSKSRG-SECBINFHSA-N 1 2 220.276 0.187 20 0 BCADLO NC(=O)C1([NH2+]Cc2ncccn2)CCCCC1 ZINC000192114208 353542925 /nfs/dbraw/zinc/54/29/25/353542925.db2.gz MQLXUVRAGKFXRC-UHFFFAOYSA-N 1 2 234.303 0.754 20 0 BCADLO CC[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000308802737 353545638 /nfs/dbraw/zinc/54/56/38/353545638.db2.gz FFZHDWQFUXVUJT-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ncccn1 ZINC000192186434 353546900 /nfs/dbraw/zinc/54/69/00/353546900.db2.gz RPRVSVZAZRTORO-GFCCVEGCSA-N 1 2 234.303 0.707 20 0 BCADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ncccn1 ZINC000192186434 353546902 /nfs/dbraw/zinc/54/69/02/353546902.db2.gz RPRVSVZAZRTORO-GFCCVEGCSA-N 1 2 234.303 0.707 20 0 BCADLO CC[N@H+](CC(N)=O)[C@@H](c1nccn1C)C1CC1 ZINC000639098448 353499788 /nfs/dbraw/zinc/49/97/88/353499788.db2.gz PMTQNSHBLBKFST-LLVKDONJSA-N 1 2 236.319 0.678 20 0 BCADLO CC[N@@H+](CC(N)=O)[C@@H](c1nccn1C)C1CC1 ZINC000639098448 353499791 /nfs/dbraw/zinc/49/97/91/353499791.db2.gz PMTQNSHBLBKFST-LLVKDONJSA-N 1 2 236.319 0.678 20 0 BCADLO CCN(CC(N)=O)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639098448 353499792 /nfs/dbraw/zinc/49/97/92/353499792.db2.gz PMTQNSHBLBKFST-LLVKDONJSA-N 1 2 236.319 0.678 20 0 BCADLO CCn1ncnc1C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000193369347 353587920 /nfs/dbraw/zinc/58/79/20/353587920.db2.gz MABPSFWBQPTNLH-SECBINFHSA-N 1 2 239.323 0.112 20 0 BCADLO CCn1ncnc1C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000193369347 353587921 /nfs/dbraw/zinc/58/79/21/353587921.db2.gz MABPSFWBQPTNLH-SECBINFHSA-N 1 2 239.323 0.112 20 0 BCADLO CN(C)c1noc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000192814726 353570201 /nfs/dbraw/zinc/57/02/01/353570201.db2.gz AHMUSFPOVASKSF-UHFFFAOYSA-N 1 2 240.307 0.340 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000192814726 353570204 /nfs/dbraw/zinc/57/02/04/353570204.db2.gz AHMUSFPOVASKSF-UHFFFAOYSA-N 1 2 240.307 0.340 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)C1 ZINC000192858605 353571073 /nfs/dbraw/zinc/57/10/73/353571073.db2.gz VRFRXMCAUVHKQA-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)C(=O)OC)C1 ZINC000192858643 353571093 /nfs/dbraw/zinc/57/10/93/353571093.db2.gz VRFRXMCAUVHKQA-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO COC[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000194436701 353660451 /nfs/dbraw/zinc/66/04/51/353660451.db2.gz XUKDLFLHZBEHSP-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO COC[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000194436701 353660454 /nfs/dbraw/zinc/66/04/54/353660454.db2.gz XUKDLFLHZBEHSP-SECBINFHSA-N 1 2 225.296 0.069 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000184591080 353684138 /nfs/dbraw/zinc/68/41/38/353684138.db2.gz VLASBLAATUUEPL-JTQLQIEISA-N 1 2 210.281 0.324 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000184591080 353684142 /nfs/dbraw/zinc/68/41/42/353684142.db2.gz VLASBLAATUUEPL-JTQLQIEISA-N 1 2 210.281 0.324 20 0 BCADLO O=C(c1cn[nH]n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000194703049 353687556 /nfs/dbraw/zinc/68/75/56/353687556.db2.gz FBBRHFXOLGZKQA-SECBINFHSA-N 1 2 246.274 0.895 20 0 BCADLO COCC[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000226388942 353693224 /nfs/dbraw/zinc/69/32/24/353693224.db2.gz REKQZOBSXZONLY-LLVKDONJSA-N 1 2 225.292 0.984 20 0 BCADLO CCn1ncnc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000639118747 353760260 /nfs/dbraw/zinc/76/02/60/353760260.db2.gz FVILMDVAOUKPKT-SNVBAGLBSA-N 1 2 236.319 0.766 20 0 BCADLO CCn1cc[nH+]c1CN(CC(N)=O)C(C)C ZINC000195514055 353765880 /nfs/dbraw/zinc/76/58/80/353765880.db2.gz XQJRVBHLSPRLLV-UHFFFAOYSA-N 1 2 224.308 0.599 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C)nn(C)c1C ZINC000195518421 353766066 /nfs/dbraw/zinc/76/60/66/353766066.db2.gz AEMHJCMRICHESL-UHFFFAOYSA-N 1 2 224.308 0.344 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C)nn(C)c1C ZINC000195518421 353766068 /nfs/dbraw/zinc/76/60/68/353766068.db2.gz AEMHJCMRICHESL-UHFFFAOYSA-N 1 2 224.308 0.344 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[S@@]1=O ZINC000353822843 353809408 /nfs/dbraw/zinc/80/94/08/353809408.db2.gz USBKVQYRIZSYNQ-RTHLEPHNSA-N 1 2 213.306 0.363 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[S@@]1=O ZINC000353822843 353809411 /nfs/dbraw/zinc/80/94/11/353809411.db2.gz USBKVQYRIZSYNQ-RTHLEPHNSA-N 1 2 213.306 0.363 20 0 BCADLO COCCN1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000580346931 353815899 /nfs/dbraw/zinc/81/58/99/353815899.db2.gz FADWNFIUNMDARQ-NSHDSACASA-N 1 2 236.319 0.287 20 0 BCADLO Fc1cnc(NC[C@H]2C[NH+]3CCN2CC3)nc1 ZINC000179075497 181018312 /nfs/dbraw/zinc/01/83/12/181018312.db2.gz WZIQGBCOHGQMOK-JTQLQIEISA-N 1 2 237.282 0.027 20 0 BCADLO C[C@@H](Cn1cncn1)[NH2+]Cc1noc(C2CC2)n1 ZINC000639127455 353838586 /nfs/dbraw/zinc/83/85/86/353838586.db2.gz PYLFDOALPHQCOO-QMMMGPOBSA-N 1 2 248.290 0.717 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CC1(F)F ZINC000639133486 353843775 /nfs/dbraw/zinc/84/37/75/353843775.db2.gz NRDFDDHCUGBRBW-WDSKDSINSA-N 1 2 217.223 0.343 20 0 BCADLO CCN(CC1CC1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343486118 353906798 /nfs/dbraw/zinc/90/67/98/353906798.db2.gz GFFIIOGXYQTFKI-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCn1nccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000343502593 353915429 /nfs/dbraw/zinc/91/54/29/353915429.db2.gz DLNZRVROQPHWND-UHFFFAOYSA-N 1 2 234.263 0.948 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000334539056 353927120 /nfs/dbraw/zinc/92/71/20/353927120.db2.gz QMMCQHKNXGEOAT-JTQLQIEISA-N 1 2 249.318 0.236 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000334539056 353927125 /nfs/dbraw/zinc/92/71/25/353927125.db2.gz QMMCQHKNXGEOAT-JTQLQIEISA-N 1 2 249.318 0.236 20 0 BCADLO COC(=O)C[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000343641041 353951273 /nfs/dbraw/zinc/95/12/73/353951273.db2.gz QPIYGAGQGOHGMN-QMMMGPOBSA-N 1 2 239.275 0.567 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@@H+]2Cc1cncnc1 ZINC000343624496 353947546 /nfs/dbraw/zinc/94/75/46/353947546.db2.gz PPBUZMUKRSCPLX-MNOVXSKESA-N 1 2 232.287 0.187 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1cncnc1 ZINC000343624496 353947548 /nfs/dbraw/zinc/94/75/48/353947548.db2.gz PPBUZMUKRSCPLX-MNOVXSKESA-N 1 2 232.287 0.187 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000343703786 353967374 /nfs/dbraw/zinc/96/73/74/353967374.db2.gz ZVBDKHNPGHQJAQ-QMMMGPOBSA-N 1 2 240.307 0.206 20 0 BCADLO CC(C)(C)[C@@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000343703786 353967376 /nfs/dbraw/zinc/96/73/76/353967376.db2.gz ZVBDKHNPGHQJAQ-QMMMGPOBSA-N 1 2 240.307 0.206 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000343705385 353967508 /nfs/dbraw/zinc/96/75/08/353967508.db2.gz FQHSUQXTJNRHNC-VGMNWLOBSA-N 1 2 241.291 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000343705385 353967511 /nfs/dbraw/zinc/96/75/11/353967511.db2.gz FQHSUQXTJNRHNC-VGMNWLOBSA-N 1 2 241.291 0.590 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334546533 353984252 /nfs/dbraw/zinc/98/42/52/353984252.db2.gz CQBJJXGGRVVADA-NEPJUHHUSA-N 1 2 249.314 0.478 20 0 BCADLO Cc1c[nH]cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334546533 353984254 /nfs/dbraw/zinc/98/42/54/353984254.db2.gz CQBJJXGGRVVADA-NEPJUHHUSA-N 1 2 249.314 0.478 20 0 BCADLO C[C@H]1C[N@H+](CCc2cncs2)CC(=O)N1C ZINC000334556416 354002672 /nfs/dbraw/zinc/00/26/72/354002672.db2.gz AFIKDJYRXVFTLB-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cncs2)CC(=O)N1C ZINC000334556416 354002675 /nfs/dbraw/zinc/00/26/75/354002675.db2.gz AFIKDJYRXVFTLB-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000343825479 354016063 /nfs/dbraw/zinc/01/60/63/354016063.db2.gz CBOXYCNTCYKZKE-LLVKDONJSA-N 1 2 249.314 0.419 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000074190126 354051855 /nfs/dbraw/zinc/05/18/55/354051855.db2.gz XNVGOZQXFVPOKH-NXEZZACHSA-N 1 2 207.277 0.998 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCCn1ccnn1 ZINC000343901837 354053956 /nfs/dbraw/zinc/05/39/56/354053956.db2.gz BRGGAMBXGGWPSO-UHFFFAOYSA-N 1 2 248.290 0.071 20 0 BCADLO CC1(C)CC[C@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000334568445 354091899 /nfs/dbraw/zinc/09/18/99/354091899.db2.gz FTPPQRNEYXAUHK-SECBINFHSA-N 1 2 223.276 0.984 20 0 BCADLO CC1(C)CC[C@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000334568445 354091902 /nfs/dbraw/zinc/09/19/02/354091902.db2.gz FTPPQRNEYXAUHK-SECBINFHSA-N 1 2 223.276 0.984 20 0 BCADLO CC(C)OCCC(=O)NCC[NH+]1CCOCC1 ZINC000344212251 354165837 /nfs/dbraw/zinc/16/58/37/354165837.db2.gz KBSSJZZWRPRXLK-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CN1CC[NH+](CCCn2ccsc2=O)CC1 ZINC000344174349 354172934 /nfs/dbraw/zinc/17/29/34/354172934.db2.gz QOLKSKPFXNFAJG-UHFFFAOYSA-N 1 2 241.360 0.547 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344130001 354147559 /nfs/dbraw/zinc/14/75/59/354147559.db2.gz MIHBJJIVXXLGCP-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344130001 354147563 /nfs/dbraw/zinc/14/75/63/354147563.db2.gz MIHBJJIVXXLGCP-WDEREUQCSA-N 1 2 238.335 0.891 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000642328936 363331484 /nfs/dbraw/zinc/33/14/84/363331484.db2.gz ZGTHNWXQVUEFFZ-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000642328936 363331488 /nfs/dbraw/zinc/33/14/88/363331488.db2.gz ZGTHNWXQVUEFFZ-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cn[nH]c1 ZINC000344185563 354177565 /nfs/dbraw/zinc/17/75/65/354177565.db2.gz WXSXOYPLWMNVPB-UHFFFAOYSA-N 1 2 205.221 0.704 20 0 BCADLO O=C(CCc1cncnc1)Nc1cc[nH+]cc1O ZINC000344201510 354162632 /nfs/dbraw/zinc/16/26/32/354162632.db2.gz YBRYCDPAFWQGGO-UHFFFAOYSA-N 1 2 244.254 0.570 20 0 BCADLO COC(=O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000344203740 354163176 /nfs/dbraw/zinc/16/31/76/354163176.db2.gz YNJWCGLKRRAIPY-UHFFFAOYSA-N 1 2 225.248 0.022 20 0 BCADLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ncnn1C ZINC000344189569 354178907 /nfs/dbraw/zinc/17/89/07/354178907.db2.gz XFRZHODDIYLZCH-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ncnn1C ZINC000344189569 354178909 /nfs/dbraw/zinc/17/89/09/354178909.db2.gz XFRZHODDIYLZCH-VHSXEESVSA-N 1 2 224.308 0.408 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000344217898 354181251 /nfs/dbraw/zinc/18/12/51/354181251.db2.gz NPUWJSBUFOYLOR-UWVGGRQHSA-N 1 2 237.303 0.762 20 0 BCADLO CC(C)(C(=O)N1CCCO1)[NH+]1CCOCC1 ZINC000344238649 354187111 /nfs/dbraw/zinc/18/71/11/354187111.db2.gz AQQSDJDFKNXXCF-UHFFFAOYSA-N 1 2 228.292 0.261 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344262349 354193156 /nfs/dbraw/zinc/19/31/56/354193156.db2.gz RAVYVHBSLLFPKD-GZMMTYOYSA-N 1 2 237.303 0.808 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344262349 354193160 /nfs/dbraw/zinc/19/31/60/354193160.db2.gz RAVYVHBSLLFPKD-GZMMTYOYSA-N 1 2 237.303 0.808 20 0 BCADLO CC(=O)NCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000344266603 354194405 /nfs/dbraw/zinc/19/44/05/354194405.db2.gz VFPDGZWTNYMNKZ-UHFFFAOYSA-N 1 2 246.270 0.946 20 0 BCADLO CCC[C@@]1(CO)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000344294302 354208562 /nfs/dbraw/zinc/20/85/62/354208562.db2.gz UASNNZSQRGVPNT-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO CCC[C@@]1(CO)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000344294302 354208565 /nfs/dbraw/zinc/20/85/65/354208565.db2.gz UASNNZSQRGVPNT-LLVKDONJSA-N 1 2 239.323 0.195 20 0 BCADLO Cn1c2cc(F)ccc2[nH+]c1N1CCNC(=O)C1 ZINC000334596934 354230847 /nfs/dbraw/zinc/23/08/47/354230847.db2.gz UJLZSSDFNLIGRD-UHFFFAOYSA-N 1 2 248.261 0.649 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)on1 ZINC000334612366 354296094 /nfs/dbraw/zinc/29/60/94/354296094.db2.gz VJNKSWCQVNTURB-UHFFFAOYSA-N 1 2 232.243 0.836 20 0 BCADLO O=C([C@@H]1CCSC1)N1CCn2cc[nH+]c2C1 ZINC000334614300 354299514 /nfs/dbraw/zinc/29/95/14/354299514.db2.gz BQCRTAVEHHBLPT-SECBINFHSA-N 1 2 237.328 0.978 20 0 BCADLO O=C(C[NH2+]Cc1cc(C2CC2)no1)NC1CC1 ZINC000639180583 354282439 /nfs/dbraw/zinc/28/24/39/354282439.db2.gz MSADBKIYBNDKKN-UHFFFAOYSA-N 1 2 235.287 0.920 20 0 BCADLO Cn1cnnc1C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639182111 354324987 /nfs/dbraw/zinc/32/49/87/354324987.db2.gz FBKROKMRRXAVFC-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cn1cnnc1C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639182111 354324988 /nfs/dbraw/zinc/32/49/88/354324988.db2.gz FBKROKMRRXAVFC-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO CCNC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000334641069 354396438 /nfs/dbraw/zinc/39/64/38/354396438.db2.gz MSXWOJFUTDIWDW-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000334641069 354396440 /nfs/dbraw/zinc/39/64/40/354396440.db2.gz MSXWOJFUTDIWDW-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000334685352 354431591 /nfs/dbraw/zinc/43/15/91/354431591.db2.gz CFPGHCBUWSQIDF-ZDUSSCGKSA-N 1 2 248.326 0.364 20 0 BCADLO C[C@H](NCc1c[nH+]c(N)nc1N)C(F)(F)F ZINC000639187448 354404250 /nfs/dbraw/zinc/40/42/50/354404250.db2.gz MJKQUSKOSYJBJQ-BYPYZUCNSA-N 1 2 235.213 0.342 20 0 BCADLO O=C(NC1(CO)CC1)c1ccc2[nH+]ccn2c1 ZINC000334735160 354535930 /nfs/dbraw/zinc/53/59/30/354535930.db2.gz ZSKUISVNCOMDCE-UHFFFAOYSA-N 1 2 231.255 0.589 20 0 BCADLO O=c1ccc(CN2CCn3c[nH+]cc3C2)c[nH]1 ZINC000639192024 354542349 /nfs/dbraw/zinc/54/23/49/354542349.db2.gz OCNMCSIHCMWOEV-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)N1CC(F)C1 ZINC000334703061 354496435 /nfs/dbraw/zinc/49/64/35/354496435.db2.gz XOVCENDCQXMSMK-UHFFFAOYSA-N 1 2 239.250 0.954 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@H](C(N)=O)C1 ZINC000334707912 354502433 /nfs/dbraw/zinc/50/24/33/354502433.db2.gz JYFZTXLKHXJTIA-UWVGGRQHSA-N 1 2 239.319 0.854 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@H](C(N)=O)C1 ZINC000334707912 354502435 /nfs/dbraw/zinc/50/24/35/354502435.db2.gz JYFZTXLKHXJTIA-UWVGGRQHSA-N 1 2 239.319 0.854 20 0 BCADLO COC[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345381653 354646224 /nfs/dbraw/zinc/64/62/24/354646224.db2.gz OEJUJLOLKMCERO-SFYZADRCSA-N 1 2 236.262 0.382 20 0 BCADLO CO[C@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345416893 354652592 /nfs/dbraw/zinc/65/25/92/354652592.db2.gz QIBRQCZUKAGZJH-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO CCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345420546 354653367 /nfs/dbraw/zinc/65/33/67/354653367.db2.gz WQSYYMCTCAHMTK-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO COCc1cc(C(=O)Nc2cc[nH+]cc2O)no1 ZINC000345376094 354657316 /nfs/dbraw/zinc/65/73/16/354657316.db2.gz DRWCWGWBODXTBX-UHFFFAOYSA-N 1 2 249.226 0.596 20 0 BCADLO c1[nH]c2ncncc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000639202402 354608368 /nfs/dbraw/zinc/60/83/68/354608368.db2.gz YXCNHGOCVDISEL-WDEREUQCSA-N 1 2 230.271 0.883 20 0 BCADLO c1[nH]c2ncncc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000639202402 354608370 /nfs/dbraw/zinc/60/83/70/354608370.db2.gz YXCNHGOCVDISEL-WDEREUQCSA-N 1 2 230.271 0.883 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639203392 354622757 /nfs/dbraw/zinc/62/27/57/354622757.db2.gz ULZYDAZZPWARMD-MRVPVSSYSA-N 1 2 244.316 0.911 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639203392 354622762 /nfs/dbraw/zinc/62/27/62/354622762.db2.gz ULZYDAZZPWARMD-MRVPVSSYSA-N 1 2 244.316 0.911 20 0 BCADLO Cc1cc(F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000335109960 354696195 /nfs/dbraw/zinc/69/61/95/354696195.db2.gz LBMXIXLESVYEFJ-TXEJJXNPSA-N 1 2 243.253 0.811 20 0 BCADLO Cc1cc(F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000335109960 354696198 /nfs/dbraw/zinc/69/61/98/354696198.db2.gz LBMXIXLESVYEFJ-TXEJJXNPSA-N 1 2 243.253 0.811 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000335100168 354709289 /nfs/dbraw/zinc/70/92/89/354709289.db2.gz MFQBOBGABYAKSW-GFCCVEGCSA-N 1 2 226.320 0.720 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)cnn1 ZINC000345910268 354805715 /nfs/dbraw/zinc/80/57/15/354805715.db2.gz SGFQMZNYZBVVQL-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)cnn1 ZINC000345910268 354805717 /nfs/dbraw/zinc/80/57/17/354805717.db2.gz SGFQMZNYZBVVQL-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCNC(=O)C1(C)C ZINC000232858883 363386854 /nfs/dbraw/zinc/38/68/54/363386854.db2.gz ZYEWPYCORLUVJP-UHFFFAOYSA-N 1 2 226.320 0.956 20 0 BCADLO CCC(=O)CCC[N@H+]1CCNC(=O)C1(C)C ZINC000232858883 363386859 /nfs/dbraw/zinc/38/68/59/363386859.db2.gz ZYEWPYCORLUVJP-UHFFFAOYSA-N 1 2 226.320 0.956 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)C(C)C ZINC000345920683 354826172 /nfs/dbraw/zinc/82/61/72/354826172.db2.gz BZPHIARVICNGFH-SNVBAGLBSA-N 1 2 239.319 0.641 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](CO)C(C)C ZINC000345920683 354826174 /nfs/dbraw/zinc/82/61/74/354826174.db2.gz BZPHIARVICNGFH-SNVBAGLBSA-N 1 2 239.319 0.641 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCN1CCCC1=O ZINC000346018793 354828209 /nfs/dbraw/zinc/82/82/09/354828209.db2.gz BPCFXFQNIGUXJN-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCN1CCCC1=O ZINC000346018793 354828213 /nfs/dbraw/zinc/82/82/13/354828213.db2.gz BPCFXFQNIGUXJN-UHFFFAOYSA-N 1 2 242.319 0.492 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000345882115 354795925 /nfs/dbraw/zinc/79/59/25/354795925.db2.gz IELGXQLOHBQJEW-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000345882115 354795928 /nfs/dbraw/zinc/79/59/28/354795928.db2.gz IELGXQLOHBQJEW-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CCOC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000233658603 363404738 /nfs/dbraw/zinc/40/47/38/363404738.db2.gz BYAFIBGIEDFQFP-WCBMZHEXSA-N 1 2 201.266 0.707 20 0 BCADLO CCOC(=O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233678268 363406252 /nfs/dbraw/zinc/40/62/52/363406252.db2.gz UXUVPEHUOBEQRX-JTQLQIEISA-N 1 2 229.276 0.481 20 0 BCADLO CSCCC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346073818 354857829 /nfs/dbraw/zinc/85/78/29/354857829.db2.gz MLXZCRKTBWXEBD-YUMQZZPRSA-N 1 2 220.313 0.637 20 0 BCADLO CSCCC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346073818 354857831 /nfs/dbraw/zinc/85/78/31/354857831.db2.gz MLXZCRKTBWXEBD-YUMQZZPRSA-N 1 2 220.313 0.637 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346349284 354887623 /nfs/dbraw/zinc/88/76/23/354887623.db2.gz BJMYDEUFWWRRTM-VHSXEESVSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346349284 354887626 /nfs/dbraw/zinc/88/76/26/354887626.db2.gz BJMYDEUFWWRRTM-VHSXEESVSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)(C(=O)NC[C@H]1CCOC1)c1c[nH]c[nH+]1 ZINC000346329743 354898289 /nfs/dbraw/zinc/89/82/89/354898289.db2.gz LCNKESMIPYIXDC-SECBINFHSA-N 1 2 237.303 0.840 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000346379345 354904707 /nfs/dbraw/zinc/90/47/07/354904707.db2.gz MEHGIHCREYFNEE-ZDUSSCGKSA-N 1 2 249.314 0.900 20 0 BCADLO CC1(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000346389040 354907818 /nfs/dbraw/zinc/90/78/18/354907818.db2.gz RQMDGHFULAEWGS-LLVKDONJSA-N 1 2 237.347 0.293 20 0 BCADLO COC[C@@H](C)OC[C@@H](O)Cn1cc[nH+]c1 ZINC000234817419 363431625 /nfs/dbraw/zinc/43/16/25/363431625.db2.gz CSQGPQLSDBSMCK-ZJUUUORDSA-N 1 2 214.265 0.296 20 0 BCADLO COC[C@H](C)OC[C@@H](O)Cn1cc[nH+]c1 ZINC000234799456 363431832 /nfs/dbraw/zinc/43/18/32/363431832.db2.gz CSQGPQLSDBSMCK-UWVGGRQHSA-N 1 2 214.265 0.296 20 0 BCADLO COc1cc(C)[nH+]c([C@@H]2NC(=O)CN2C)c1 ZINC000346253166 354880599 /nfs/dbraw/zinc/88/05/99/354880599.db2.gz GJPBZXSJGSGZTN-LLVKDONJSA-N 1 2 221.260 0.459 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346498762 354960365 /nfs/dbraw/zinc/96/03/65/354960365.db2.gz XAMDXSSMJFWQCF-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346498762 354960366 /nfs/dbraw/zinc/96/03/66/354960366.db2.gz XAMDXSSMJFWQCF-NXEZZACHSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346498764 354960387 /nfs/dbraw/zinc/96/03/87/354960387.db2.gz XAMDXSSMJFWQCF-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346498764 354960388 /nfs/dbraw/zinc/96/03/88/354960388.db2.gz XAMDXSSMJFWQCF-VHSXEESVSA-N 1 2 240.303 0.245 20 0 BCADLO CO[C@@](C)(C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000335175107 354942371 /nfs/dbraw/zinc/94/23/71/354942371.db2.gz FVHCLCNYSKDWLL-GFCCVEGCSA-N 1 2 226.320 0.576 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000346511537 354964222 /nfs/dbraw/zinc/96/42/22/354964222.db2.gz SQYKPWUPIGJVON-SSDOTTSWSA-N 1 2 239.275 0.365 20 0 BCADLO CC(C)CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000346459665 354964935 /nfs/dbraw/zinc/96/49/35/354964935.db2.gz JGNKFRYMZBQNGC-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO CC(C)CCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000346459665 354964937 /nfs/dbraw/zinc/96/49/37/354964937.db2.gz JGNKFRYMZBQNGC-LBPRGKRZSA-N 1 2 241.379 0.785 20 0 BCADLO CSCC[C@H](C)[N@H+](C)Cc1nnnn1C ZINC000346522244 354975044 /nfs/dbraw/zinc/97/50/44/354975044.db2.gz CJNGPCRSHXZJBU-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CSCC[C@H](C)[N@@H+](C)Cc1nnnn1C ZINC000346522244 354975047 /nfs/dbraw/zinc/97/50/47/354975047.db2.gz CJNGPCRSHXZJBU-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000346655921 355003443 /nfs/dbraw/zinc/00/34/43/355003443.db2.gz KCWHUGGLWRZMSA-YUMQZZPRSA-N 1 2 209.249 0.454 20 0 BCADLO CN(C)S(=O)(=O)CCCOCc1[nH]cc[nH+]1 ZINC000346631644 354987491 /nfs/dbraw/zinc/98/74/91/354987491.db2.gz UAFPFQOJLOKIJT-UHFFFAOYSA-N 1 2 247.320 0.208 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366953154 355017224 /nfs/dbraw/zinc/01/72/24/355017224.db2.gz SDMDTLBIOBAURY-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366953154 355017225 /nfs/dbraw/zinc/01/72/25/355017225.db2.gz SDMDTLBIOBAURY-ZJUUUORDSA-N 1 2 237.307 0.354 20 0 BCADLO Cc1nn(CCO)c(NCc2[nH]cc[nH+]2)c1C ZINC000346698969 355069979 /nfs/dbraw/zinc/06/99/79/355069979.db2.gz BXQMCHULSNPLBO-UHFFFAOYSA-N 1 2 235.291 0.827 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000346743136 355091246 /nfs/dbraw/zinc/09/12/46/355091246.db2.gz ZWMHOKMTDVYORR-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000346743136 355091250 /nfs/dbraw/zinc/09/12/50/355091250.db2.gz ZWMHOKMTDVYORR-SNVBAGLBSA-N 1 2 243.351 0.311 20 0 BCADLO CC(C)C[N@@H+]1CC(=O)NC12CCC(O)CC2 ZINC000335246669 355161706 /nfs/dbraw/zinc/16/17/06/355161706.db2.gz MQZKPTBPHSYIGC-UHFFFAOYSA-N 1 2 226.320 0.705 20 0 BCADLO CC(C)C[N@H+]1CC(=O)NC12CCC(O)CC2 ZINC000335246669 355161711 /nfs/dbraw/zinc/16/17/11/355161711.db2.gz MQZKPTBPHSYIGC-UHFFFAOYSA-N 1 2 226.320 0.705 20 0 BCADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000335247009 355162387 /nfs/dbraw/zinc/16/23/87/355162387.db2.gz UVVVZBPUVFUNIB-PWSUYJOCSA-N 1 2 226.320 0.969 20 0 BCADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000335247009 355162391 /nfs/dbraw/zinc/16/23/91/355162391.db2.gz UVVVZBPUVFUNIB-PWSUYJOCSA-N 1 2 226.320 0.969 20 0 BCADLO NC(=O)c1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000346960009 355169747 /nfs/dbraw/zinc/16/97/47/355169747.db2.gz DPYXTJNOZVDDIZ-UHFFFAOYSA-N 1 2 243.270 0.397 20 0 BCADLO CC(=O)CCCC(=O)NCc1[nH]cc[nH+]1 ZINC000346956435 355167817 /nfs/dbraw/zinc/16/78/17/355167817.db2.gz CNWGDJPQBMOPHY-UHFFFAOYSA-N 1 2 209.249 0.785 20 0 BCADLO CC[C@@](C)(C[NH+]1CC(S(=O)(=O)CC)C1)OC ZINC000639233635 355216414 /nfs/dbraw/zinc/21/64/14/355216414.db2.gz MUAVLCDAQISDPT-NSHDSACASA-N 1 2 249.376 0.920 20 0 BCADLO CCC[C@H](C[NH+]1CC(S(=O)(=O)CC)C1)OC ZINC000639233210 355214903 /nfs/dbraw/zinc/21/49/03/355214903.db2.gz BNZDDQSLJDNQMC-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1CN([C@@H](c2[nH+]ccn2C)C2CC2)CC(=O)N1 ZINC000639231861 355194616 /nfs/dbraw/zinc/19/46/16/355194616.db2.gz UVQWLCLOXJFKNQ-JOYOIKCWSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@H]1CC[N@@H+]2[C@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259809 355199614 /nfs/dbraw/zinc/19/96/14/355199614.db2.gz UZWJNAGALNKQKE-MSLYCWSTSA-N 1 2 238.331 0.848 20 0 BCADLO C[C@H]1CC[N@H+]2[C@H](C1)C(=O)NC21CCC(O)CC1 ZINC000335259809 355199617 /nfs/dbraw/zinc/19/96/17/355199617.db2.gz UZWJNAGALNKQKE-MSLYCWSTSA-N 1 2 238.331 0.848 20 0 BCADLO NC(=O)[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413125045 191357405 /nfs/dbraw/zinc/35/74/05/191357405.db2.gz PVGMCTNIGZFLDJ-QMMMGPOBSA-N 1 2 247.302 0.363 20 0 BCADLO NC(=O)[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413125045 191357408 /nfs/dbraw/zinc/35/74/08/191357408.db2.gz PVGMCTNIGZFLDJ-QMMMGPOBSA-N 1 2 247.302 0.363 20 0 BCADLO CC[C@@H]([NH2+]Cc1ncc(C)o1)C(=O)NC ZINC000639241835 355228358 /nfs/dbraw/zinc/22/83/58/355228358.db2.gz MPDFZYHJZGAIDY-MRVPVSSYSA-N 1 2 211.265 0.597 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)OC)CCO1 ZINC000347612300 355234734 /nfs/dbraw/zinc/23/47/34/355234734.db2.gz QIPVLYWMIKEPGQ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)OC)CCO1 ZINC000347612300 355234738 /nfs/dbraw/zinc/23/47/38/355234738.db2.gz QIPVLYWMIKEPGQ-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)OC)CCO1 ZINC000347612299 355235163 /nfs/dbraw/zinc/23/51/63/355235163.db2.gz QIPVLYWMIKEPGQ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)OC)CCO1 ZINC000347612299 355235166 /nfs/dbraw/zinc/23/51/66/355235166.db2.gz QIPVLYWMIKEPGQ-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO O=c1[nH]nc(SCC[N@@H+]2CCCOCC2)[nH]1 ZINC000413005684 191338346 /nfs/dbraw/zinc/33/83/46/191338346.db2.gz NAEFDUKRCSVLHL-UHFFFAOYSA-N 1 2 244.320 0.325 20 0 BCADLO O=c1[nH]nc(SCC[N@H+]2CCCOCC2)[nH]1 ZINC000413005684 191338348 /nfs/dbraw/zinc/33/83/48/191338348.db2.gz NAEFDUKRCSVLHL-UHFFFAOYSA-N 1 2 244.320 0.325 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCC[C@@H](O)C2)nn1 ZINC000347629607 355240930 /nfs/dbraw/zinc/24/09/30/355240930.db2.gz CKOSEYBNRVQAOE-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCC[C@@H](O)C2)nn1 ZINC000347629607 355240933 /nfs/dbraw/zinc/24/09/33/355240933.db2.gz CKOSEYBNRVQAOE-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CCOCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347632981 355242078 /nfs/dbraw/zinc/24/20/78/355242078.db2.gz SJYJVQDFXKOEIQ-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347632981 355242079 /nfs/dbraw/zinc/24/20/79/355242079.db2.gz SJYJVQDFXKOEIQ-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO COCC1(C[NH+]2CC(S(C)(=O)=O)C2)CCC1 ZINC000639244682 355242105 /nfs/dbraw/zinc/24/21/05/355242105.db2.gz QHSJMRQKXLCTCW-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO Cn1cnnc1C[N@H+](C)CCc1cccnc1 ZINC000347635927 355242691 /nfs/dbraw/zinc/24/26/91/355242691.db2.gz GGZHGTGXQLRQDT-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CCc1cccnc1 ZINC000347635927 355242694 /nfs/dbraw/zinc/24/26/94/355242694.db2.gz GGZHGTGXQLRQDT-UHFFFAOYSA-N 1 2 231.303 0.885 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413027866 191352036 /nfs/dbraw/zinc/35/20/36/191352036.db2.gz BPZFENCOPRZVDK-QMMMGPOBSA-N 1 2 249.318 0.987 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413027866 191352039 /nfs/dbraw/zinc/35/20/39/191352039.db2.gz BPZFENCOPRZVDK-QMMMGPOBSA-N 1 2 249.318 0.987 20 0 BCADLO C[C@@H](C(=O)N(C)[C@@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000335289334 355260819 /nfs/dbraw/zinc/26/08/19/355260819.db2.gz ARLULHNGTSOWKH-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1nc(N2CC(CF)C2)nc(N(C)C)[nH+]1 ZINC000413514323 191392046 /nfs/dbraw/zinc/39/20/46/191392046.db2.gz ZFOIDKBHVOPTHN-UHFFFAOYSA-N 1 2 225.271 0.652 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(CF)C2)[nH+]1 ZINC000413514323 191392047 /nfs/dbraw/zinc/39/20/47/191392047.db2.gz ZFOIDKBHVOPTHN-UHFFFAOYSA-N 1 2 225.271 0.652 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000347602281 355253172 /nfs/dbraw/zinc/25/31/72/355253172.db2.gz WZLKXYYGEARSLX-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)[C@@H]1CCCOC1 ZINC000347603556 355253646 /nfs/dbraw/zinc/25/36/46/355253646.db2.gz DKKGJJALQCVBNE-MNOVXSKESA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@H](Nc1cc(NC2CC2)[nH+]cn1)C(=O)NC ZINC000413325939 191368019 /nfs/dbraw/zinc/36/80/19/191368019.db2.gz VBUGZDUCNAKKFM-VIFPVBQESA-N 1 2 249.318 0.987 20 0 BCADLO CC[C@H](Nc1cc(NC2CC2)nc[nH+]1)C(=O)NC ZINC000413325939 191368021 /nfs/dbraw/zinc/36/80/21/191368021.db2.gz VBUGZDUCNAKKFM-VIFPVBQESA-N 1 2 249.318 0.987 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413301178 191370680 /nfs/dbraw/zinc/37/06/80/191370680.db2.gz KOKKLILSSPXETM-ZETCQYMHSA-N 1 2 235.291 0.597 20 0 BCADLO CNC(=O)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413301178 191370683 /nfs/dbraw/zinc/37/06/83/191370683.db2.gz KOKKLILSSPXETM-ZETCQYMHSA-N 1 2 235.291 0.597 20 0 BCADLO COc1cc(C[NH+]2CC(C)(CO)C2)sn1 ZINC000639254879 355294688 /nfs/dbraw/zinc/29/46/88/355294688.db2.gz FMLMSMQHSGOOGO-UHFFFAOYSA-N 1 2 228.317 0.966 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000432509147 491077681 /nfs/dbraw/zinc/07/76/81/491077681.db2.gz JGKUEFPPWZJWHS-KOLCDFICSA-N 1 2 240.303 0.196 20 0 BCADLO CNC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC000639265985 355324579 /nfs/dbraw/zinc/32/45/79/355324579.db2.gz HWTUGVLBUSHLFI-UHFFFAOYSA-N 1 2 238.291 0.568 20 0 BCADLO CCN1CC(=O)N[C@@H]1c1cccc2[nH+]ccn21 ZINC000335641543 355329741 /nfs/dbraw/zinc/32/97/41/355329741.db2.gz HKIMPUGPUVBEMH-LBPRGKRZSA-N 1 2 230.271 0.785 20 0 BCADLO CCN1C[C@H]([NH2+]Cc2ncc(C)o2)CC1=O ZINC000639249118 355280200 /nfs/dbraw/zinc/28/02/00/355280200.db2.gz XNBAXDJXDYHKBU-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ccns2)C1 ZINC000639251612 355284722 /nfs/dbraw/zinc/28/47/22/355284722.db2.gz RTUOUBFFBNCAON-UHFFFAOYSA-N 1 2 225.317 0.711 20 0 BCADLO O=C(CC[N@@H+]1CCNC(=O)C1)Nc1ccccc1 ZINC000028852298 355377600 /nfs/dbraw/zinc/37/76/00/355377600.db2.gz FXFFOTMZQZISPE-UHFFFAOYSA-N 1 2 247.298 0.447 20 0 BCADLO O=C(CC[N@H+]1CCNC(=O)C1)Nc1ccccc1 ZINC000028852298 355377603 /nfs/dbraw/zinc/37/76/03/355377603.db2.gz FXFFOTMZQZISPE-UHFFFAOYSA-N 1 2 247.298 0.447 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)S1=O ZINC000335753522 355392624 /nfs/dbraw/zinc/39/26/24/355392624.db2.gz KOCUGEANGAYJBB-NXEZZACHSA-N 1 2 241.360 0.761 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000335778193 355404667 /nfs/dbraw/zinc/40/46/67/355404667.db2.gz BPCPBIXTSOPHDH-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CO[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000349746834 355422133 /nfs/dbraw/zinc/42/21/33/355422133.db2.gz QFNGQIZOXBXDQN-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000335786583 355436243 /nfs/dbraw/zinc/43/62/43/355436243.db2.gz DOINCMJRARKFPA-LBPRGKRZSA-N 1 2 246.314 0.790 20 0 BCADLO C=Cn1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000335786583 355436245 /nfs/dbraw/zinc/43/62/45/355436245.db2.gz DOINCMJRARKFPA-LBPRGKRZSA-N 1 2 246.314 0.790 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC23CCC3)C1 ZINC000335790187 355441672 /nfs/dbraw/zinc/44/16/72/355441672.db2.gz ODZASOHLYZSHMP-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCCC23CCC3)C1 ZINC000335790187 355441675 /nfs/dbraw/zinc/44/16/75/355441675.db2.gz ODZASOHLYZSHMP-NSHDSACASA-N 1 2 238.331 0.862 20 0 BCADLO Cc1c[nH]cc(C(=O)N2CC[NH+](C)CC2)c1=O ZINC000349820520 355469449 /nfs/dbraw/zinc/46/94/49/355469449.db2.gz NHRKOTHDHPFYJO-UHFFFAOYSA-N 1 2 235.287 0.071 20 0 BCADLO CN(C)c1ncc(C[N@H+](C)CC(N)=O)s1 ZINC000349818011 355469574 /nfs/dbraw/zinc/46/95/74/355469574.db2.gz FWNSBKSHRPHKLT-UHFFFAOYSA-N 1 2 228.321 0.126 20 0 BCADLO CN(C)c1ncc(C[N@@H+](C)CC(N)=O)s1 ZINC000349818011 355469577 /nfs/dbraw/zinc/46/95/77/355469577.db2.gz FWNSBKSHRPHKLT-UHFFFAOYSA-N 1 2 228.321 0.126 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)C1(O)CCCC1 ZINC000335831523 355558185 /nfs/dbraw/zinc/55/81/85/355558185.db2.gz LMLPKJJPDSKKKI-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)C1(O)CCCC1 ZINC000335831523 355558187 /nfs/dbraw/zinc/55/81/87/355558187.db2.gz LMLPKJJPDSKKKI-UHFFFAOYSA-N 1 2 209.249 0.331 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000335841426 355585541 /nfs/dbraw/zinc/58/55/41/355585541.db2.gz KLRBLEJQEDPODO-VXGBXAGGSA-N 1 2 236.315 0.638 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000335841426 355585544 /nfs/dbraw/zinc/58/55/44/355585544.db2.gz KLRBLEJQEDPODO-VXGBXAGGSA-N 1 2 236.315 0.638 20 0 BCADLO Nc1nc(N)c(CN2CC3(CC3(F)F)C2)c[nH+]1 ZINC000639297240 355602185 /nfs/dbraw/zinc/60/21/85/355602185.db2.gz QDPKKJFNMIGFSZ-UHFFFAOYSA-N 1 2 241.245 0.143 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000335839005 355568013 /nfs/dbraw/zinc/56/80/13/355568013.db2.gz FKWVLYJXRRMLGI-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000335839005 355568016 /nfs/dbraw/zinc/56/80/16/355568016.db2.gz FKWVLYJXRRMLGI-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO Cc1cnc(C[NH2+]CCN2CCCC2=O)o1 ZINC000639295122 355572136 /nfs/dbraw/zinc/57/21/36/355572136.db2.gz NMCAWFKTHZDUPR-UHFFFAOYSA-N 1 2 223.276 0.695 20 0 BCADLO O=C(NC1CC[NH+](Cc2c[nH]cn2)CC1)C1CC1 ZINC000350014726 355576114 /nfs/dbraw/zinc/57/61/14/355576114.db2.gz XMHCZZLKJSGJKW-UHFFFAOYSA-N 1 2 248.330 0.900 20 0 BCADLO O=C(NC1CC[NH+](Cc2cnc[nH]2)CC1)C1CC1 ZINC000350014726 355576119 /nfs/dbraw/zinc/57/61/19/355576119.db2.gz XMHCZZLKJSGJKW-UHFFFAOYSA-N 1 2 248.330 0.900 20 0 BCADLO CO[C@@](C)([C@@H](C)[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000583551377 355578442 /nfs/dbraw/zinc/57/84/42/355578442.db2.gz ONCYWZKWRBZZNH-KCJUWKMLSA-N 1 2 239.323 0.503 20 0 BCADLO CO[C@](C)([C@H](C)[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000583551376 355578570 /nfs/dbraw/zinc/57/85/70/355578570.db2.gz ONCYWZKWRBZZNH-GZMMTYOYSA-N 1 2 239.323 0.503 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000335862159 355625379 /nfs/dbraw/zinc/62/53/79/355625379.db2.gz RFDHOBBHFIMWES-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000335862159 355625382 /nfs/dbraw/zinc/62/53/82/355625382.db2.gz RFDHOBBHFIMWES-WDEREUQCSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)CS(C)(=O)=O ZINC000162662897 202026548 /nfs/dbraw/zinc/02/65/48/202026548.db2.gz DLBGIONNIDFDSJ-MRVPVSSYSA-N 1 2 202.279 0.564 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000335870783 355636758 /nfs/dbraw/zinc/63/67/58/355636758.db2.gz FBXRFQBDPSBHCO-UHFFFAOYSA-N 1 2 247.298 0.766 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000335870783 355636761 /nfs/dbraw/zinc/63/67/61/355636761.db2.gz FBXRFQBDPSBHCO-UHFFFAOYSA-N 1 2 247.298 0.766 20 0 BCADLO C[C@H]1C[C@@H](O)CN1C(=O)NCCn1cc[nH+]c1 ZINC000335871060 355637855 /nfs/dbraw/zinc/63/78/55/355637855.db2.gz MESSAENIGIPCOQ-VHSXEESVSA-N 1 2 238.291 0.048 20 0 BCADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000583583841 355691864 /nfs/dbraw/zinc/69/18/64/355691864.db2.gz ZVJZWKPYWXKPOD-VIFPVBQESA-N 1 2 237.303 0.935 20 0 BCADLO NC(=O)[C@H]1COCC[N@@H+]1CC1CCC(=O)CC1 ZINC000329654184 181204968 /nfs/dbraw/zinc/20/49/68/181204968.db2.gz FDULXVRKAGTDMA-LLVKDONJSA-N 1 2 240.303 0.982 20 0 BCADLO NC(=O)[C@H]1COCC[N@H+]1CC1CCC(=O)CC1 ZINC000329654184 181204971 /nfs/dbraw/zinc/20/49/71/181204971.db2.gz FDULXVRKAGTDMA-LLVKDONJSA-N 1 2 240.303 0.982 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2ccc(=O)[nH]c2)nn1 ZINC000639318649 355712645 /nfs/dbraw/zinc/71/26/45/355712645.db2.gz CKKBZOQZHSOULY-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)nn1 ZINC000639318649 355712648 /nfs/dbraw/zinc/71/26/48/355712648.db2.gz CKKBZOQZHSOULY-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cn1c[nH+]cc1CN1Cc2cnn(C)c2C1 ZINC000639320380 355720422 /nfs/dbraw/zinc/72/04/22/355720422.db2.gz LDDVYHPPXFQVRK-UHFFFAOYSA-N 1 2 217.276 0.669 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(F)C1)CC2 ZINC000626431336 355735389 /nfs/dbraw/zinc/73/53/89/355735389.db2.gz PPDOVMRBTCAWNM-SECBINFHSA-N 1 2 237.278 0.934 20 0 BCADLO CNC(=O)CN(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639333167 355761750 /nfs/dbraw/zinc/76/17/50/355761750.db2.gz UDIJYRKJKNKGRH-NSHDSACASA-N 1 2 236.319 0.549 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639333878 355764070 /nfs/dbraw/zinc/76/40/70/355764070.db2.gz MEIBAZNVUMTHDD-NSHDSACASA-N 1 2 239.319 0.400 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCN(C)C[C@H]2CO)o1 ZINC000639333878 355764071 /nfs/dbraw/zinc/76/40/71/355764071.db2.gz MEIBAZNVUMTHDD-NSHDSACASA-N 1 2 239.319 0.400 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639333877 355764156 /nfs/dbraw/zinc/76/41/56/355764156.db2.gz MEIBAZNVUMTHDD-LLVKDONJSA-N 1 2 239.319 0.400 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCN(C)C[C@@H]2CO)o1 ZINC000639333877 355764159 /nfs/dbraw/zinc/76/41/59/355764159.db2.gz MEIBAZNVUMTHDD-LLVKDONJSA-N 1 2 239.319 0.400 20 0 BCADLO CN1CC[N@H+](Cc2cccc(O)c2)[C@H](CO)C1 ZINC000639336301 355770291 /nfs/dbraw/zinc/77/02/91/355770291.db2.gz GXNVXRQVPKXULT-LBPRGKRZSA-N 1 2 236.315 0.501 20 0 BCADLO CN1CC[N@@H+](Cc2cccc(O)c2)[C@H](CO)C1 ZINC000639336301 355770294 /nfs/dbraw/zinc/77/02/94/355770294.db2.gz GXNVXRQVPKXULT-LBPRGKRZSA-N 1 2 236.315 0.501 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCn2nccc21 ZINC000582196777 355730555 /nfs/dbraw/zinc/73/05/55/355730555.db2.gz RTYJHNFABGFFEP-UHFFFAOYSA-N 1 2 231.259 0.517 20 0 BCADLO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1c[nH]nn1 ZINC000639340390 355781503 /nfs/dbraw/zinc/78/15/03/355781503.db2.gz DSHKFGUBHNUDMW-IUCAKERBSA-N 1 2 237.307 0.342 20 0 BCADLO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1c[nH]nn1 ZINC000639340391 355781540 /nfs/dbraw/zinc/78/15/40/355781540.db2.gz DSHKFGUBHNUDMW-RKDXNWHRSA-N 1 2 237.307 0.342 20 0 BCADLO COc1cc(C[C@H](C)[NH2+]Cc2c[nH]nn2)ccn1 ZINC000639342516 355785006 /nfs/dbraw/zinc/78/50/06/355785006.db2.gz WOGDMPKABJIJIV-VIFPVBQESA-N 1 2 247.302 0.929 20 0 BCADLO COc1cc(C[C@H](C)[NH2+]Cc2cn[nH]n2)ccn1 ZINC000639342516 355785008 /nfs/dbraw/zinc/78/50/08/355785008.db2.gz WOGDMPKABJIJIV-VIFPVBQESA-N 1 2 247.302 0.929 20 0 BCADLO NC(=O)C1=NO[C@H](CNc2cccc[nH+]2)C1 ZINC000289538259 181216726 /nfs/dbraw/zinc/21/67/26/181216726.db2.gz FHIOVTOPXZIBTQ-ZETCQYMHSA-N 1 2 220.232 0.124 20 0 BCADLO COc1cccc(C[C@@H](C)[NH2+]Cc2c[nH]nn2)n1 ZINC000628363592 355849179 /nfs/dbraw/zinc/84/91/79/355849179.db2.gz PZJCQPRPHRAYQT-SECBINFHSA-N 1 2 247.302 0.929 20 0 BCADLO COc1cccc(C[C@@H](C)[NH2+]Cc2cn[nH]n2)n1 ZINC000628363592 355849182 /nfs/dbraw/zinc/84/91/82/355849182.db2.gz PZJCQPRPHRAYQT-SECBINFHSA-N 1 2 247.302 0.929 20 0 BCADLO OCC[NH+](CCO)Cc1nc2c(s1)CCC2 ZINC000628369725 355876950 /nfs/dbraw/zinc/87/69/50/355876950.db2.gz VDYNTJJYIJBSOY-UHFFFAOYSA-N 1 2 242.344 0.418 20 0 BCADLO CCO[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623254261 355852990 /nfs/dbraw/zinc/85/29/90/355852990.db2.gz SHYWZAQHMZXAQN-PWSUYJOCSA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623254812 355856074 /nfs/dbraw/zinc/85/60/74/355856074.db2.gz ZNDLEMXSBYLNEZ-CMPLNLGQSA-N 1 2 249.314 0.739 20 0 BCADLO CCn1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623255166 355856421 /nfs/dbraw/zinc/85/64/21/355856421.db2.gz QRQVGPZDWWMZLV-VIFPVBQESA-N 1 2 245.286 0.454 20 0 BCADLO CCc1nocc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255152 355856919 /nfs/dbraw/zinc/85/69/19/355856919.db2.gz QDBXWXQUADDGKH-MRVPVSSYSA-N 1 2 246.270 0.788 20 0 BCADLO O=C1C[N@H+](CCO)CCN1c1ccccc1 ZINC000336031039 134058182 /nfs/dbraw/zinc/05/81/82/134058182.db2.gz PGDVIVPQPISPOO-UHFFFAOYSA-N 1 2 220.272 0.328 20 0 BCADLO O=C1C[N@@H+](CCO)CCN1c1ccccc1 ZINC000336031039 134058183 /nfs/dbraw/zinc/05/81/83/134058183.db2.gz PGDVIVPQPISPOO-UHFFFAOYSA-N 1 2 220.272 0.328 20 0 BCADLO Cc1nccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000350896597 355869151 /nfs/dbraw/zinc/86/91/51/355869151.db2.gz NKJNLGWUIIOVJL-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000350896597 355869153 /nfs/dbraw/zinc/86/91/53/355869153.db2.gz NKJNLGWUIIOVJL-GFCCVEGCSA-N 1 2 246.314 0.592 20 0 BCADLO O=S(=O)(C1CC1)N1CC[NH+](C2CCC2)CC1 ZINC000336036129 134059726 /nfs/dbraw/zinc/05/97/26/134059726.db2.gz DUHAENPLMYSKTQ-UHFFFAOYSA-N 1 2 244.360 0.649 20 0 BCADLO CCCN(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755824 355833283 /nfs/dbraw/zinc/83/32/83/355833283.db2.gz ILHSBTUCQCROJM-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO CC(C)n1ncnc1C[NH2+]C1(C)COC1 ZINC000639381351 355919211 /nfs/dbraw/zinc/91/92/11/355919211.db2.gz UZZCJUYNBYJIKO-UHFFFAOYSA-N 1 2 210.281 0.738 20 0 BCADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000336048929 134064445 /nfs/dbraw/zinc/06/44/45/134064445.db2.gz JJNXNENSZGKXJQ-VHSXEESVSA-N 1 2 237.303 0.978 20 0 BCADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623256768 355973440 /nfs/dbraw/zinc/97/34/40/355973440.db2.gz USVLIRGNJUQAMZ-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO CCC(=O)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256875 355984028 /nfs/dbraw/zinc/98/40/28/355984028.db2.gz YUGHPSQYCCBMKV-SECBINFHSA-N 1 2 247.298 0.683 20 0 BCADLO C[C@H]([NH2+]Cc1csnn1)[C@H](O)C(F)(F)F ZINC000639387687 356003884 /nfs/dbraw/zinc/00/38/84/356003884.db2.gz RLRPKWUNIALONX-NJGYIYPDSA-N 1 2 241.238 0.939 20 0 BCADLO C[C@@H](C(=O)Nc1cn(C)nn1)[NH+]1CC(C)C1 ZINC000583640903 355947133 /nfs/dbraw/zinc/94/71/33/355947133.db2.gz YDYRXTXKMSHKOV-QMMMGPOBSA-N 1 2 223.280 0.094 20 0 BCADLO C[C@H]([NH2+]Cc1csnn1)[C@@H](O)C(F)(F)F ZINC000639387688 356004031 /nfs/dbraw/zinc/00/40/31/356004031.db2.gz RLRPKWUNIALONX-UJURSFKZSA-N 1 2 241.238 0.939 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000623256360 355948154 /nfs/dbraw/zinc/94/81/54/355948154.db2.gz IRSGDCSZJILBAP-GMNPVEAJSA-N 1 2 247.298 0.492 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000351148519 355954789 /nfs/dbraw/zinc/95/47/89/355954789.db2.gz SOKMFKDCNHSZRW-LBPRGKRZSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000351148519 355954794 /nfs/dbraw/zinc/95/47/94/355954794.db2.gz SOKMFKDCNHSZRW-LBPRGKRZSA-N 1 2 240.347 0.869 20 0 BCADLO CCC[C@@H](OC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257275 356036187 /nfs/dbraw/zinc/03/61/87/356036187.db2.gz IVNICGLJTPWYTN-MWLCHTKSSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)[C@@H](C)O1 ZINC000351645738 356043071 /nfs/dbraw/zinc/04/30/71/356043071.db2.gz DWEVRAHYNGCKDD-KXUCPTDWSA-N 1 2 224.308 0.813 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)[C@@H](C)O1 ZINC000351645738 356043076 /nfs/dbraw/zinc/04/30/76/356043076.db2.gz DWEVRAHYNGCKDD-KXUCPTDWSA-N 1 2 224.308 0.813 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000351650075 356045224 /nfs/dbraw/zinc/04/52/24/356045224.db2.gz WNCXOJIEOYILFU-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ccnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000351650075 356045225 /nfs/dbraw/zinc/04/52/25/356045225.db2.gz WNCXOJIEOYILFU-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCn2ncnc2C1 ZINC000351582813 356020663 /nfs/dbraw/zinc/02/06/63/356020663.db2.gz RGUUSYKDUUZSCZ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncccc1C[N@H+]1CCn2ncnc2C1 ZINC000351582813 356020665 /nfs/dbraw/zinc/02/06/65/356020665.db2.gz RGUUSYKDUUZSCZ-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO NC(=O)C[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374306267 181231802 /nfs/dbraw/zinc/23/18/02/181231802.db2.gz CRCNESYPKKAQMR-UHFFFAOYSA-N 1 2 235.262 0.795 20 0 BCADLO NC(=O)C[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374306267 181231804 /nfs/dbraw/zinc/23/18/04/181231804.db2.gz CRCNESYPKKAQMR-UHFFFAOYSA-N 1 2 235.262 0.795 20 0 BCADLO NC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773243 181232886 /nfs/dbraw/zinc/23/28/86/181232886.db2.gz VAPYOQLKEODFPM-SNVBAGLBSA-N 1 2 212.293 0.363 20 0 BCADLO NC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773243 181232887 /nfs/dbraw/zinc/23/28/87/181232887.db2.gz VAPYOQLKEODFPM-SNVBAGLBSA-N 1 2 212.293 0.363 20 0 BCADLO Cc1ccn(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623257620 356026948 /nfs/dbraw/zinc/02/69/48/356026948.db2.gz PVIBMJBDEVAUPG-JTQLQIEISA-N 1 2 245.286 0.129 20 0 BCADLO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260415 356119501 /nfs/dbraw/zinc/11/95/01/356119501.db2.gz CRLVVIALNHUCHM-FOGDFJRCSA-N 1 2 249.314 0.597 20 0 BCADLO COC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623261047 356129007 /nfs/dbraw/zinc/12/90/07/356129007.db2.gz ZZFJHKFJDUGSBL-SNVBAGLBSA-N 1 2 249.314 0.883 20 0 BCADLO Cc1ccnc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623259791 356091679 /nfs/dbraw/zinc/09/16/79/356091679.db2.gz KYWZSMPWWHKYPE-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO CC1(C)CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC000623260272 356097249 /nfs/dbraw/zinc/09/72/49/356097249.db2.gz ZVYASUZWLDNASI-MWLCHTKSSA-N 1 2 249.314 0.882 20 0 BCADLO Cc1ccn(C)c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261486 356152371 /nfs/dbraw/zinc/15/23/71/356152371.db2.gz UESBJLPVFWCTOD-JTQLQIEISA-N 1 2 244.298 0.885 20 0 BCADLO O=c1n(CCCn2cc[nH+]c2)nnn1C1CC1 ZINC000351890068 356154933 /nfs/dbraw/zinc/15/49/33/356154933.db2.gz SYRFIEVEKGOXFP-UHFFFAOYSA-N 1 2 234.263 0.062 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000335917563 356160058 /nfs/dbraw/zinc/16/00/58/356160058.db2.gz ZPYUWGOVPJBYAV-SNVBAGLBSA-N 1 2 202.273 0.945 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000335917563 356160060 /nfs/dbraw/zinc/16/00/60/356160060.db2.gz ZPYUWGOVPJBYAV-SNVBAGLBSA-N 1 2 202.273 0.945 20 0 BCADLO NC(=O)NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181322839 181254242 /nfs/dbraw/zinc/25/42/42/181254242.db2.gz BMVXWXWSICGGPU-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO NC(=O)NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181322839 181254245 /nfs/dbraw/zinc/25/42/45/181254245.db2.gz BMVXWXWSICGGPU-UHFFFAOYSA-N 1 2 248.286 0.241 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@]12CCOC2 ZINC000623262038 356161890 /nfs/dbraw/zinc/16/18/90/356161890.db2.gz LPFUHXWEIJCRJJ-XWIASGKRSA-N 1 2 247.298 0.351 20 0 BCADLO CO[C@H](C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262162 356162205 /nfs/dbraw/zinc/16/22/05/356162205.db2.gz QMJSUMLSJCWWFQ-NXEZZACHSA-N 1 2 237.303 0.739 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C)[C@H](C)C1 ZINC000335919667 356167169 /nfs/dbraw/zinc/16/71/69/356167169.db2.gz HSNPGOUXMHBHRW-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC000623262917 356172545 /nfs/dbraw/zinc/17/25/45/356172545.db2.gz VPTXFJFYTSYZQC-GWCFXTLKSA-N 1 2 249.314 0.741 20 0 BCADLO COCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623262916 356172620 /nfs/dbraw/zinc/17/26/20/356172620.db2.gz VPMJOYHTKJTDKN-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC000623262918 356173191 /nfs/dbraw/zinc/17/31/91/356173191.db2.gz VPTXFJFYTSYZQC-GXFFZTMASA-N 1 2 249.314 0.741 20 0 BCADLO O=C(Cc1ccoc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261266 356144267 /nfs/dbraw/zinc/14/42/67/356144267.db2.gz IPJLNKKKTZPNGK-SNVBAGLBSA-N 1 2 231.255 0.760 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1cc[nH]c1 ZINC000335913552 356144461 /nfs/dbraw/zinc/14/44/61/356144461.db2.gz IKRFLIUWSPUINO-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO Cc1cc(C)c(CN2CCNC(=O)C2)c(C)[nH+]1 ZINC000639434424 356211603 /nfs/dbraw/zinc/21/16/03/356211603.db2.gz ICQBRVFAQYAHHP-UHFFFAOYSA-N 1 2 233.315 0.939 20 0 BCADLO NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000073137734 181259632 /nfs/dbraw/zinc/25/96/32/181259632.db2.gz ZSQNILSOGIYWKR-UHFFFAOYSA-N 1 2 249.314 0.687 20 0 BCADLO Cc1nc(C)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000623263999 356228352 /nfs/dbraw/zinc/22/83/52/356228352.db2.gz CLXFEHGYDUTDFG-SECBINFHSA-N 1 2 246.270 0.843 20 0 BCADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623264044 356228463 /nfs/dbraw/zinc/22/84/63/356228463.db2.gz DARMRTGWDCKMOR-WPRPVWTQSA-N 1 2 219.288 0.970 20 0 BCADLO Cc1[nH]ccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264060 356228613 /nfs/dbraw/zinc/22/86/13/356228613.db2.gz DOHAWZRKWGLUME-VIFPVBQESA-N 1 2 230.271 0.874 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC000623264780 356230245 /nfs/dbraw/zinc/23/02/45/356230245.db2.gz UIEDUZNHWVYTFZ-SECBINFHSA-N 1 2 235.287 0.229 20 0 BCADLO COC[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264989 356231145 /nfs/dbraw/zinc/23/11/45/356231145.db2.gz YHMISZNJVMZNPG-VHSXEESVSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000623264521 356236557 /nfs/dbraw/zinc/23/65/57/356236557.db2.gz NJMWODXJYCNSJJ-CABZTGNLSA-N 1 2 235.287 0.493 20 0 BCADLO CC[C@H](C)OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263199 356198425 /nfs/dbraw/zinc/19/84/25/356198425.db2.gz FSIAIYJGOZXYTE-VHSXEESVSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000623263489 356201367 /nfs/dbraw/zinc/20/13/67/356201367.db2.gz OMUDPQVUTLEWLB-WPRPVWTQSA-N 1 2 221.260 0.103 20 0 BCADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000275112650 181260906 /nfs/dbraw/zinc/26/09/06/181260906.db2.gz GXLVROKQTRPMKC-SNVBAGLBSA-N 1 2 238.266 0.463 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ncn1 ZINC000623263785 356203197 /nfs/dbraw/zinc/20/31/97/356203197.db2.gz XDSPHMCKQDLPLB-SECBINFHSA-N 1 2 243.270 0.336 20 0 BCADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000275112650 181260907 /nfs/dbraw/zinc/26/09/07/181260907.db2.gz GXLVROKQTRPMKC-SNVBAGLBSA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000275112647 181261631 /nfs/dbraw/zinc/26/16/31/181261631.db2.gz GXLVROKQTRPMKC-JTQLQIEISA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000275112647 181261634 /nfs/dbraw/zinc/26/16/34/181261634.db2.gz GXLVROKQTRPMKC-JTQLQIEISA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000276213644 181261771 /nfs/dbraw/zinc/26/17/71/181261771.db2.gz KYYAUTGOYHJDDD-JTQLQIEISA-N 1 2 238.266 0.463 20 0 BCADLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000276213644 181261774 /nfs/dbraw/zinc/26/17/74/181261774.db2.gz KYYAUTGOYHJDDD-JTQLQIEISA-N 1 2 238.266 0.463 20 0 BCADLO CC(=O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000639471816 356261595 /nfs/dbraw/zinc/26/15/95/356261595.db2.gz SBTNOXYOLIBTGV-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC(=O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000639471816 356261600 /nfs/dbraw/zinc/26/16/00/356261600.db2.gz SBTNOXYOLIBTGV-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639472993 356265143 /nfs/dbraw/zinc/26/51/43/356265143.db2.gz VLGCILHDOZGZMY-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639472993 356265146 /nfs/dbraw/zinc/26/51/46/356265146.db2.gz VLGCILHDOZGZMY-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO CC[N@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639474454 356268296 /nfs/dbraw/zinc/26/82/96/356268296.db2.gz NQGPINQAZCANNK-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CC[N@@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639474454 356268297 /nfs/dbraw/zinc/26/82/97/356268297.db2.gz NQGPINQAZCANNK-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)CC(C)=O ZINC000639454943 356239938 /nfs/dbraw/zinc/23/99/38/356239938.db2.gz JUJRUUIPOVXEBM-UHFFFAOYSA-N 1 2 214.309 0.814 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)CC(C)=O ZINC000639454943 356239940 /nfs/dbraw/zinc/23/99/40/356239940.db2.gz JUJRUUIPOVXEBM-UHFFFAOYSA-N 1 2 214.309 0.814 20 0 BCADLO C[N@H+](CC(=O)Nc1ccccn1)[C@H]1CCOC1 ZINC000639483316 356297892 /nfs/dbraw/zinc/29/78/92/356297892.db2.gz SQMMLEVATNMLPW-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccccn1)[C@H]1CCOC1 ZINC000639483316 356297895 /nfs/dbraw/zinc/29/78/95/356297895.db2.gz SQMMLEVATNMLPW-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724988 356301164 /nfs/dbraw/zinc/30/11/64/356301164.db2.gz FPTNBGZBJILIJA-YFKTTZPYSA-N 1 2 240.347 0.868 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724988 356301167 /nfs/dbraw/zinc/30/11/67/356301167.db2.gz FPTNBGZBJILIJA-YFKTTZPYSA-N 1 2 240.347 0.868 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccncc1F ZINC000623266160 356304590 /nfs/dbraw/zinc/30/45/90/356304590.db2.gz TUZSUNGIYOWQIJ-QMMMGPOBSA-N 1 2 246.245 0.772 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCOC1 ZINC000623267939 356331927 /nfs/dbraw/zinc/33/19/27/356331927.db2.gz BWINYTPNDKYVMO-UWVGGRQHSA-N 1 2 235.287 0.351 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCOC1 ZINC000623267938 356332047 /nfs/dbraw/zinc/33/20/47/356332047.db2.gz BWINYTPNDKYVMO-NXEZZACHSA-N 1 2 235.287 0.351 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269107 356367855 /nfs/dbraw/zinc/36/78/55/356367855.db2.gz AVCQNBGRNFCBFO-WPRPVWTQSA-N 1 2 223.276 0.349 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000162054436 181267219 /nfs/dbraw/zinc/26/72/19/181267219.db2.gz LRTLWECPHAMMTP-NSHDSACASA-N 1 2 238.287 0.612 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000162054436 181267221 /nfs/dbraw/zinc/26/72/21/181267221.db2.gz LRTLWECPHAMMTP-NSHDSACASA-N 1 2 238.287 0.612 20 0 BCADLO CC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000639517551 356358658 /nfs/dbraw/zinc/35/86/58/356358658.db2.gz KPCASCXQDABSIK-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)n1cccn1 ZINC000623270655 356385550 /nfs/dbraw/zinc/38/55/50/356385550.db2.gz LLZNVMITKHPLSK-UWVGGRQHSA-N 1 2 245.286 0.382 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000352614269 356389631 /nfs/dbraw/zinc/38/96/31/356389631.db2.gz CBJZYLJMFRTWBN-JTQLQIEISA-N 1 2 249.380 0.209 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000352614269 356389634 /nfs/dbraw/zinc/38/96/34/356389634.db2.gz CBJZYLJMFRTWBN-JTQLQIEISA-N 1 2 249.380 0.209 20 0 BCADLO COCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623272979 356397722 /nfs/dbraw/zinc/39/77/22/356397722.db2.gz GJYDZTLSJJASOU-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623276774 356417121 /nfs/dbraw/zinc/41/71/21/356417121.db2.gz KBJQWRRWZGOEHT-MRVPVSSYSA-N 1 2 207.277 0.970 20 0 BCADLO CC(=O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000639549639 356417244 /nfs/dbraw/zinc/41/72/44/356417244.db2.gz RRQIXLSQHDWQBW-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO O=C(Cc1ccncc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623277226 356418642 /nfs/dbraw/zinc/41/86/42/356418642.db2.gz VUURBPJXAHDTAT-NSHDSACASA-N 1 2 242.282 0.562 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccoc1 ZINC000623278111 356425614 /nfs/dbraw/zinc/42/56/14/356425614.db2.gz MPKBTASJBPDHDL-VIFPVBQESA-N 1 2 217.228 0.831 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352670101 356402173 /nfs/dbraw/zinc/40/21/73/356402173.db2.gz CWPULMGRCBIBEO-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352670101 356402174 /nfs/dbraw/zinc/40/21/74/356402174.db2.gz CWPULMGRCBIBEO-DTWKUNHWSA-N 1 2 225.292 0.977 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623273744 356403029 /nfs/dbraw/zinc/40/30/29/356403029.db2.gz XSXCSOLBFMEYBU-IUCAKERBSA-N 1 2 223.276 0.349 20 0 BCADLO COCc1noc(C[N@H+](C)C2CC(OC)C2)n1 ZINC000352200567 134100341 /nfs/dbraw/zinc/10/03/41/134100341.db2.gz AWHQUIPYCAUMSH-UHFFFAOYSA-N 1 2 241.291 0.825 20 0 BCADLO COCc1noc(C[N@@H+](C)C2CC(OC)C2)n1 ZINC000352200567 134100342 /nfs/dbraw/zinc/10/03/42/134100342.db2.gz AWHQUIPYCAUMSH-UHFFFAOYSA-N 1 2 241.291 0.825 20 0 BCADLO CC[N@@H+](Cc1noc(COC)n1)C[C@H](C)O ZINC000352201829 134101037 /nfs/dbraw/zinc/10/10/37/134101037.db2.gz HFXKRYMOQNULJI-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO CC[N@H+](Cc1noc(COC)n1)C[C@H](C)O ZINC000352201829 134101038 /nfs/dbraw/zinc/10/10/38/134101038.db2.gz HFXKRYMOQNULJI-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccon1 ZINC000368962921 181275855 /nfs/dbraw/zinc/27/58/55/181275855.db2.gz FSCRGACEWQAYSZ-MIMYLULJSA-N 1 2 235.287 0.760 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccon1 ZINC000368962921 181275856 /nfs/dbraw/zinc/27/58/56/181275856.db2.gz FSCRGACEWQAYSZ-MIMYLULJSA-N 1 2 235.287 0.760 20 0 BCADLO Cc1cc(N2CCN(C(=O)C3CC3)C2)nc[nH+]1 ZINC000420637036 192252229 /nfs/dbraw/zinc/25/22/29/192252229.db2.gz OHFGEARAAUJUAN-UHFFFAOYSA-N 1 2 232.287 0.801 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(CC3CC3)no2)C[C@H]1O ZINC000639557727 356462147 /nfs/dbraw/zinc/46/21/47/356462147.db2.gz OABZCCYYAQCLCR-WCBMZHEXSA-N 1 2 237.303 0.835 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(CC3CC3)no2)C[C@H]1O ZINC000639557727 356462149 /nfs/dbraw/zinc/46/21/49/356462149.db2.gz OABZCCYYAQCLCR-WCBMZHEXSA-N 1 2 237.303 0.835 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ncccc1O ZINC000580363815 356433936 /nfs/dbraw/zinc/43/39/36/356433936.db2.gz PCOIIYXXWIUJIW-UHFFFAOYSA-N 1 2 209.249 0.094 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cc[nH]n2)[C@H](C(N)=O)C1 ZINC000190156333 356435824 /nfs/dbraw/zinc/43/58/24/356435824.db2.gz NKXQXFGSBIUFCC-WPRPVWTQSA-N 1 2 222.292 0.496 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)[C@H](C(N)=O)C1 ZINC000190156333 356435828 /nfs/dbraw/zinc/43/58/28/356435828.db2.gz NKXQXFGSBIUFCC-WPRPVWTQSA-N 1 2 222.292 0.496 20 0 BCADLO CC[C@H](O)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000420621608 192249876 /nfs/dbraw/zinc/24/98/76/192249876.db2.gz DLDRZSOPGTXQHM-VIFPVBQESA-N 1 2 246.314 0.698 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623281982 356464929 /nfs/dbraw/zinc/46/49/29/356464929.db2.gz JGMHJTNOCHJPIG-QMMMGPOBSA-N 1 2 217.228 0.831 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121040117 181280002 /nfs/dbraw/zinc/28/00/02/181280002.db2.gz QCYZLSXXOYSWDI-RQJHMYQMSA-N 1 2 240.225 0.249 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121040117 181280004 /nfs/dbraw/zinc/28/00/04/181280004.db2.gz QCYZLSXXOYSWDI-RQJHMYQMSA-N 1 2 240.225 0.249 20 0 BCADLO CCO[C@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000578092087 366243923 /nfs/dbraw/zinc/24/39/23/366243923.db2.gz SVRUVSZFLWZRCC-ZJUUUORDSA-N 1 2 223.276 0.256 20 0 BCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)=O)[C@H]2C1 ZINC000639572775 356496154 /nfs/dbraw/zinc/49/61/54/356496154.db2.gz YEQVZBOGBCGEKG-WOPDTQHZSA-N 1 2 227.304 0.844 20 0 BCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(C)=O)[C@H]2C1 ZINC000639572775 356496156 /nfs/dbraw/zinc/49/61/56/356496156.db2.gz YEQVZBOGBCGEKG-WOPDTQHZSA-N 1 2 227.304 0.844 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958140 192279410 /nfs/dbraw/zinc/27/94/10/192279410.db2.gz OYFIDYOWPANAJE-UWVGGRQHSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958140 192279412 /nfs/dbraw/zinc/27/94/12/192279412.db2.gz OYFIDYOWPANAJE-UWVGGRQHSA-N 1 2 228.292 0.148 20 0 BCADLO CC[C@H]1C[NH+](CC(=O)NC)C[C@H](CC)O1 ZINC000420960045 192281143 /nfs/dbraw/zinc/28/11/43/192281143.db2.gz QWBBZAPVPWDSPP-UWVGGRQHSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H](CC)O1 ZINC000420960043 192282176 /nfs/dbraw/zinc/28/21/76/192282176.db2.gz QWBBZAPVPWDSPP-AOOOYVTPSA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)C[C@H](CC)O1 ZINC000420960043 192282179 /nfs/dbraw/zinc/28/21/79/192282179.db2.gz QWBBZAPVPWDSPP-AOOOYVTPSA-N 1 2 214.309 0.622 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000639608738 356530516 /nfs/dbraw/zinc/53/05/16/356530516.db2.gz AOPRCWPULUQNTE-RKDXNWHRSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000639608738 356530520 /nfs/dbraw/zinc/53/05/20/356530520.db2.gz AOPRCWPULUQNTE-RKDXNWHRSA-N 1 2 223.263 0.707 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639598847 356518247 /nfs/dbraw/zinc/51/82/47/356518247.db2.gz NASFMNVIOCUFAZ-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639598847 356518250 /nfs/dbraw/zinc/51/82/50/356518250.db2.gz NASFMNVIOCUFAZ-SECBINFHSA-N 1 2 235.287 0.450 20 0 BCADLO CCC(F)(F)C[N@H+](C)CCOCCO ZINC000639629407 356544032 /nfs/dbraw/zinc/54/40/32/356544032.db2.gz VGEHSWWPCJYBLU-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO CCC(F)(F)C[N@@H+](C)CCOCCO ZINC000639629407 356544035 /nfs/dbraw/zinc/54/40/35/356544035.db2.gz VGEHSWWPCJYBLU-UHFFFAOYSA-N 1 2 211.252 0.972 20 0 BCADLO c1cnc(CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000639630067 356545560 /nfs/dbraw/zinc/54/55/60/356545560.db2.gz TZJXNAMKEDXESK-TXEJJXNPSA-N 1 2 235.287 0.119 20 0 BCADLO c1cnc(CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000639630067 356545562 /nfs/dbraw/zinc/54/55/62/356545562.db2.gz TZJXNAMKEDXESK-TXEJJXNPSA-N 1 2 235.287 0.119 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+](CCO)CC(F)F ZINC000639619939 356534422 /nfs/dbraw/zinc/53/44/22/356534422.db2.gz WIPZVGDZBRWMKP-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+](CCO)CC(F)F ZINC000639619939 356534425 /nfs/dbraw/zinc/53/44/25/356534425.db2.gz WIPZVGDZBRWMKP-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO CC1(C)C[N@H+](CC(=O)Nc2ccccn2)C[C@H]1O ZINC000639618079 356535254 /nfs/dbraw/zinc/53/52/54/356535254.db2.gz AYBFAZIGRTXYEU-SNVBAGLBSA-N 1 2 249.314 0.723 20 0 BCADLO CC1(C)C[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1O ZINC000639618079 356535255 /nfs/dbraw/zinc/53/52/55/356535255.db2.gz AYBFAZIGRTXYEU-SNVBAGLBSA-N 1 2 249.314 0.723 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000449770054 202029364 /nfs/dbraw/zinc/02/93/64/202029364.db2.gz IITVDZPQNFONRQ-SNVBAGLBSA-N 1 2 240.328 0.824 20 0 BCADLO NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000449770054 202029366 /nfs/dbraw/zinc/02/93/66/202029366.db2.gz IITVDZPQNFONRQ-SNVBAGLBSA-N 1 2 240.328 0.824 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297726 356550836 /nfs/dbraw/zinc/55/08/36/356550836.db2.gz LWZZAFUVSKBJJA-ZYHUDNBSSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1cccn1C ZINC000449786636 202038482 /nfs/dbraw/zinc/03/84/82/202038482.db2.gz PCHQUKPEXDTTSL-GFCCVEGCSA-N 1 2 237.347 0.524 20 0 BCADLO C[C@@H]1CN(CCO)CC[N@H+]1Cc1cccn1C ZINC000449786636 202038484 /nfs/dbraw/zinc/03/84/84/202038484.db2.gz PCHQUKPEXDTTSL-GFCCVEGCSA-N 1 2 237.347 0.524 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000421032556 192309405 /nfs/dbraw/zinc/30/94/05/192309405.db2.gz WVXGNQOPWQZXIE-RKDXNWHRSA-N 1 2 240.307 0.481 20 0 BCADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(N(C)C)no1 ZINC000421032556 192309408 /nfs/dbraw/zinc/30/94/08/192309408.db2.gz WVXGNQOPWQZXIE-RKDXNWHRSA-N 1 2 240.307 0.481 20 0 BCADLO CC[C@H](O)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299747 356560091 /nfs/dbraw/zinc/56/00/91/356560091.db2.gz CCNKMRJREAUSCD-KOLCDFICSA-N 1 2 237.303 0.475 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H](O)C1CC1 ZINC000623299730 356566206 /nfs/dbraw/zinc/56/62/06/356566206.db2.gz BSXBDMOCHQWBAY-GXSJLCMTSA-N 1 2 235.287 0.085 20 0 BCADLO Cc1nccnc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000639658683 356566970 /nfs/dbraw/zinc/56/69/70/356566970.db2.gz BTKGIUWLCDVALL-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO Cc1nccnc1C[N@H+](C)C(C)(C)C(N)=O ZINC000639658683 356566973 /nfs/dbraw/zinc/56/69/73/356566973.db2.gz BTKGIUWLCDVALL-UHFFFAOYSA-N 1 2 222.292 0.481 20 0 BCADLO O=C(Nc1cncnc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613562640 363491700 /nfs/dbraw/zinc/49/17/00/363491700.db2.gz QKKIASKCBHQCCQ-QMMMGPOBSA-N 1 2 243.270 0.943 20 0 BCADLO O=C(Nc1cncnc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613562640 363491704 /nfs/dbraw/zinc/49/17/04/363491704.db2.gz QKKIASKCBHQCCQ-QMMMGPOBSA-N 1 2 243.270 0.943 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC(=O)N1 ZINC000336218257 134137727 /nfs/dbraw/zinc/13/77/27/134137727.db2.gz SFGJQVKMTGEGBO-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC(=O)N1 ZINC000336218257 134137728 /nfs/dbraw/zinc/13/77/28/134137728.db2.gz SFGJQVKMTGEGBO-VIFPVBQESA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H](O)[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639674055 356590787 /nfs/dbraw/zinc/59/07/87/356590787.db2.gz QDFGHKMXCAFBMN-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H](O)[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639674055 356590791 /nfs/dbraw/zinc/59/07/91/356590791.db2.gz QDFGHKMXCAFBMN-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639674051 356590944 /nfs/dbraw/zinc/59/09/44/356590944.db2.gz QDFGHKMXCAFBMN-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639674051 356590949 /nfs/dbraw/zinc/59/09/49/356590949.db2.gz QDFGHKMXCAFBMN-JQWIXIFHSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674786 356592104 /nfs/dbraw/zinc/59/21/04/356592104.db2.gz AFSGHJOAOLWXAU-JGVFFNPUSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@@H]1OCC[C@@H]1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000639674786 356592105 /nfs/dbraw/zinc/59/21/05/356592105.db2.gz AFSGHJOAOLWXAU-JGVFFNPUSA-N 1 2 227.264 0.632 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[S@]1=O ZINC000352294731 134139456 /nfs/dbraw/zinc/13/94/56/134139456.db2.gz RIHCPLRHUXAQQA-XIZWVBILSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[S@]1=O ZINC000352294731 134139457 /nfs/dbraw/zinc/13/94/57/134139457.db2.gz RIHCPLRHUXAQQA-XIZWVBILSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666350 356580384 /nfs/dbraw/zinc/58/03/84/356580384.db2.gz QVDMMOLKAJLUCW-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666350 356580386 /nfs/dbraw/zinc/58/03/86/356580386.db2.gz QVDMMOLKAJLUCW-ZJUUUORDSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666348 356580503 /nfs/dbraw/zinc/58/05/03/356580503.db2.gz QVDMMOLKAJLUCW-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666348 356580504 /nfs/dbraw/zinc/58/05/04/356580504.db2.gz QVDMMOLKAJLUCW-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cn[nH]c1 ZINC000623302246 356582590 /nfs/dbraw/zinc/58/25/90/356582590.db2.gz BXBHGXWKPYLWIR-VIFPVBQESA-N 1 2 231.259 0.351 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CO1 ZINC000623303022 356584692 /nfs/dbraw/zinc/58/46/92/356584692.db2.gz UNRDNJKUCZDZJX-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO CCC(F)(F)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000639677024 356585682 /nfs/dbraw/zinc/58/56/82/356585682.db2.gz GEQFCYDXUQWQAV-DTWKUNHWSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000639677024 356585686 /nfs/dbraw/zinc/58/56/86/356585686.db2.gz GEQFCYDXUQWQAV-DTWKUNHWSA-N 1 2 223.263 0.707 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000639670614 356586815 /nfs/dbraw/zinc/58/68/15/356586815.db2.gz MGMMOHXRVAAAAB-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000639670614 356586820 /nfs/dbraw/zinc/58/68/20/356586820.db2.gz MGMMOHXRVAAAAB-JGVFFNPUSA-N 1 2 209.236 0.317 20 0 BCADLO CCC(F)(F)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000639671201 356587406 /nfs/dbraw/zinc/58/74/06/356587406.db2.gz UCFPPZIMKJGTTN-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO CCC(F)(F)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000639671201 356587407 /nfs/dbraw/zinc/58/74/07/356587407.db2.gz UCFPPZIMKJGTTN-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCCO1 ZINC000623307752 356612869 /nfs/dbraw/zinc/61/28/69/356612869.db2.gz NSQPTQPQTZQTCY-JQWIXIFHSA-N 1 2 249.314 0.883 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639679035 356595332 /nfs/dbraw/zinc/59/53/32/356595332.db2.gz YRDJQWRDPZDWMZ-JTQLQIEISA-N 1 2 249.318 0.277 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639679035 356595335 /nfs/dbraw/zinc/59/53/35/356595335.db2.gz YRDJQWRDPZDWMZ-JTQLQIEISA-N 1 2 249.318 0.277 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000623305305 356599548 /nfs/dbraw/zinc/59/95/48/356599548.db2.gz PGMCDSRCNFLGBV-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCOC1 ZINC000623305618 356600452 /nfs/dbraw/zinc/60/04/52/356600452.db2.gz WNGPPGHOKXLNMG-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cn[nH]c2)[C@@H](C)C(=O)N1C ZINC000639691040 356600869 /nfs/dbraw/zinc/60/08/69/356600869.db2.gz QSCLTYZXPNLIHN-BBBLOLIVSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cn[nH]c2)[C@@H](C)C(=O)N1C ZINC000639691040 356600872 /nfs/dbraw/zinc/60/08/72/356600872.db2.gz QSCLTYZXPNLIHN-BBBLOLIVSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1c[nH+]c[nH]1 ZINC000639691512 356606065 /nfs/dbraw/zinc/60/60/65/356606065.db2.gz UQMHXDVSGVMZDJ-OPRDCNLKSA-N 1 2 236.319 0.849 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305823 356606605 /nfs/dbraw/zinc/60/66/05/356606605.db2.gz AIYQGBDRNZYKKG-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000379850726 538461048 /nfs/dbraw/zinc/46/10/48/538461048.db2.gz AMHLZMLCMZQEHX-JTQLQIEISA-N 1 2 211.265 0.160 20 0 BCADLO CC[C@H](NC(=O)[C@@H](COC)OC)c1[nH]cc[nH+]1 ZINC000613579309 363522832 /nfs/dbraw/zinc/52/28/32/363522832.db2.gz LULHRWZMXHJFEX-DTWKUNHWSA-N 1 2 241.291 0.638 20 0 BCADLO CC[C@H](NC(=O)[C@H](COC)OC)c1[nH]cc[nH+]1 ZINC000613579310 363522895 /nfs/dbraw/zinc/52/28/95/363522895.db2.gz LULHRWZMXHJFEX-IUCAKERBSA-N 1 2 241.291 0.638 20 0 BCADLO CN(C)c1nc(N2CC(O)C2)[nH+]c2ccccc21 ZINC000450304339 202123764 /nfs/dbraw/zinc/12/37/64/202123764.db2.gz LQBANUBOHNUNFL-UHFFFAOYSA-N 1 2 244.298 0.877 20 0 BCADLO C[C@H]1C(=O)N(C)CN1c1cc(CO)cc[nH+]1 ZINC000630095109 363545346 /nfs/dbraw/zinc/54/53/46/363545346.db2.gz SEVACXUCUWJFJL-QMMMGPOBSA-N 1 2 221.260 0.198 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000336413320 134146587 /nfs/dbraw/zinc/14/65/87/134146587.db2.gz OLICIJPKNJAIIH-MEBBXXQBSA-N 1 2 226.345 0.978 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000336413320 134146588 /nfs/dbraw/zinc/14/65/88/134146588.db2.gz OLICIJPKNJAIIH-MEBBXXQBSA-N 1 2 226.345 0.978 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1COCCO1 ZINC000450333349 202132874 /nfs/dbraw/zinc/13/28/74/202132874.db2.gz PUFDMEWNLWDCLY-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1COCCO1 ZINC000450333349 202132877 /nfs/dbraw/zinc/13/28/77/202132877.db2.gz PUFDMEWNLWDCLY-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CCC[C@](C)([NH2+]C[C@H]1COCCO1)C(=O)OC ZINC000450417412 202160528 /nfs/dbraw/zinc/16/05/28/202160528.db2.gz JJDFMLFNNDFJHN-JQWIXIFHSA-N 1 2 245.319 0.723 20 0 BCADLO C[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)[NH+](C)C ZINC000153173220 538537897 /nfs/dbraw/zinc/53/78/97/538537897.db2.gz TYJVDUAWWRNZJW-ZETCQYMHSA-N 1 2 233.275 0.847 20 0 BCADLO CN(CC[NH+]1CCCC1)Cc1cnn[nH]1 ZINC000450409779 202158527 /nfs/dbraw/zinc/15/85/27/202158527.db2.gz WURIOJDQGITRGA-UHFFFAOYSA-N 1 2 209.297 0.332 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](C)CO)C(C)(C)C ZINC000121491446 356718451 /nfs/dbraw/zinc/71/84/51/356718451.db2.gz UGDKZIYLXYGPRV-BDAKNGLRSA-N 1 2 217.309 0.792 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)nc1=O ZINC000639777032 356719484 /nfs/dbraw/zinc/71/94/84/356719484.db2.gz HKIOIOBYPGHAAD-VIFPVBQESA-N 1 2 248.290 0.169 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC[C@H]2c2cn[nH]c2)nc1=O ZINC000639777032 356719485 /nfs/dbraw/zinc/71/94/85/356719485.db2.gz HKIOIOBYPGHAAD-VIFPVBQESA-N 1 2 248.290 0.169 20 0 BCADLO CCOC(=O)C[N@H+](C)CCCc1nc(C)no1 ZINC000268696690 356720257 /nfs/dbraw/zinc/72/02/57/356720257.db2.gz TZTBMNFIODKKBS-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCCc1nc(C)no1 ZINC000268696690 356720260 /nfs/dbraw/zinc/72/02/60/356720260.db2.gz TZTBMNFIODKKBS-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CC(C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623338405 356732294 /nfs/dbraw/zinc/73/22/94/356732294.db2.gz ZARUUHIUUQNMFN-JTQLQIEISA-N 1 2 229.324 0.272 20 0 BCADLO CC(C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623338405 356732298 /nfs/dbraw/zinc/73/22/98/356732298.db2.gz ZARUUHIUUQNMFN-JTQLQIEISA-N 1 2 229.324 0.272 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CCCC1 ZINC000623338470 356733985 /nfs/dbraw/zinc/73/39/85/356733985.db2.gz AVZQXJYTWLCRRV-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CCCC1 ZINC000623338470 356733991 /nfs/dbraw/zinc/73/39/91/356733991.db2.gz AVZQXJYTWLCRRV-NSHDSACASA-N 1 2 241.335 0.559 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)Cc1ccns1 ZINC000639807779 356778655 /nfs/dbraw/zinc/77/86/55/356778655.db2.gz LPQXWDJJHKWEDV-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)Cc1ccns1 ZINC000639807779 356778659 /nfs/dbraw/zinc/77/86/59/356778659.db2.gz LPQXWDJJHKWEDV-UHFFFAOYSA-N 1 2 223.305 0.936 20 0 BCADLO CCN1CC[N@H+](CCOCCOC)[C@H](C)C1=O ZINC000355259094 356754686 /nfs/dbraw/zinc/75/46/86/356754686.db2.gz MKCPXEDSYUUDCU-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO CCN1CC[N@@H+](CCOCCOC)[C@H](C)C1=O ZINC000355259094 356754691 /nfs/dbraw/zinc/75/46/91/356754691.db2.gz MKCPXEDSYUUDCU-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1COCCO1)C1CC1 ZINC000450473934 202177334 /nfs/dbraw/zinc/17/73/34/202177334.db2.gz IMXKXPCCOQAAOJ-SNVBAGLBSA-N 1 2 229.276 0.039 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1COCCO1)C1CC1 ZINC000450473934 202177336 /nfs/dbraw/zinc/17/73/36/202177336.db2.gz IMXKXPCCOQAAOJ-SNVBAGLBSA-N 1 2 229.276 0.039 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H](O)COC(C)C)CCO1 ZINC000639832492 356818325 /nfs/dbraw/zinc/81/83/25/356818325.db2.gz CADHBWVMVOXKOD-WDEREUQCSA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H](O)COC(C)C)CCO1 ZINC000639832492 356818330 /nfs/dbraw/zinc/81/83/30/356818330.db2.gz CADHBWVMVOXKOD-WDEREUQCSA-N 1 2 233.308 0.077 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000639833503 356820145 /nfs/dbraw/zinc/82/01/45/356820145.db2.gz JSUFKUAPMPKEKY-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000639833503 356820149 /nfs/dbraw/zinc/82/01/49/356820149.db2.gz JSUFKUAPMPKEKY-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CO[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000639835991 356826785 /nfs/dbraw/zinc/82/67/85/356826785.db2.gz YSUVCDRMLQYLNU-NXEZZACHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000639835991 356826788 /nfs/dbraw/zinc/82/67/88/356826788.db2.gz YSUVCDRMLQYLNU-NXEZZACHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@H]1C[N@H+](C[C@H](O)CCOC(C)C)CCO1 ZINC000639837929 356827649 /nfs/dbraw/zinc/82/76/49/356827649.db2.gz ODAWCWWWMLKCGY-VXGBXAGGSA-N 1 2 247.335 0.467 20 0 BCADLO CO[C@H]1C[N@@H+](C[C@H](O)CCOC(C)C)CCO1 ZINC000639837929 356827652 /nfs/dbraw/zinc/82/76/52/356827652.db2.gz ODAWCWWWMLKCGY-VXGBXAGGSA-N 1 2 247.335 0.467 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000639838980 356832830 /nfs/dbraw/zinc/83/28/30/356832830.db2.gz XKCFKRNBHVOERB-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCO1 ZINC000639838980 356832832 /nfs/dbraw/zinc/83/28/32/356832832.db2.gz XKCFKRNBHVOERB-ZJUUUORDSA-N 1 2 215.293 0.859 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000356046220 356785806 /nfs/dbraw/zinc/78/58/06/356785806.db2.gz MQXVEMWWFUMYJD-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000356046220 356785809 /nfs/dbraw/zinc/78/58/09/356785809.db2.gz MQXVEMWWFUMYJD-VHSXEESVSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356046218 356786098 /nfs/dbraw/zinc/78/60/98/356786098.db2.gz MQXVEMWWFUMYJD-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356046218 356786100 /nfs/dbraw/zinc/78/61/00/356786100.db2.gz MQXVEMWWFUMYJD-NXEZZACHSA-N 1 2 214.309 0.622 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cncnc3)CCN12 ZINC000352888532 538728756 /nfs/dbraw/zinc/72/87/56/538728756.db2.gz VBJTUZUNWOWLSI-NSHDSACASA-N 1 2 232.287 0.283 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cncnc3)CCN12 ZINC000352888532 538728764 /nfs/dbraw/zinc/72/87/64/538728764.db2.gz VBJTUZUNWOWLSI-NSHDSACASA-N 1 2 232.287 0.283 20 0 BCADLO c1[nH]nc2nc[nH+]c(N3CCCCN3)c12 ZINC000450523673 202190410 /nfs/dbraw/zinc/19/04/10/202190410.db2.gz IZOOXHANPWAKIK-UHFFFAOYSA-N 1 2 204.237 0.458 20 0 BCADLO CCc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000359387482 356889466 /nfs/dbraw/zinc/88/94/66/356889466.db2.gz IWMUWGCYMXVKNM-QMMMGPOBSA-N 1 2 249.274 0.647 20 0 BCADLO CCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000352125000 538715912 /nfs/dbraw/zinc/71/59/12/538715912.db2.gz CPRXWQNVNFQQEK-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO CCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000352125000 538715917 /nfs/dbraw/zinc/71/59/17/538715917.db2.gz CPRXWQNVNFQQEK-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO CCc1nc(C(=O)N2CC[NH+](CC)CC2)no1 ZINC000359375590 356888713 /nfs/dbraw/zinc/88/87/13/356888713.db2.gz HRWULISAXOBXQD-UHFFFAOYSA-N 1 2 238.291 0.410 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000450557571 202196594 /nfs/dbraw/zinc/19/65/94/202196594.db2.gz BNUQZPZYZUDECR-OLZOCXBDSA-N 1 2 240.347 0.497 20 0 BCADLO CC(=O)[C@@](C)(O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000450557571 202196595 /nfs/dbraw/zinc/19/65/95/202196595.db2.gz BNUQZPZYZUDECR-OLZOCXBDSA-N 1 2 240.347 0.497 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@H]1CCOC1 ZINC000361597043 356934613 /nfs/dbraw/zinc/93/46/13/356934613.db2.gz WLWCOWILEUZCKJ-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@H]1CCOC1 ZINC000361597043 356934614 /nfs/dbraw/zinc/93/46/14/356934614.db2.gz WLWCOWILEUZCKJ-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@@H]1CCOC1 ZINC000361597042 356935029 /nfs/dbraw/zinc/93/50/29/356935029.db2.gz WLWCOWILEUZCKJ-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@@H]1CCOC1 ZINC000361597042 356935032 /nfs/dbraw/zinc/93/50/32/356935032.db2.gz WLWCOWILEUZCKJ-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[C@@H]1OCC[N@H+](CCCCS(C)(=O)=O)[C@H]1C ZINC000155962454 538744117 /nfs/dbraw/zinc/74/41/17/538744117.db2.gz OGYGYJJZPAJTRF-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1OCC[N@@H+](CCCCS(C)(=O)=O)[C@H]1C ZINC000155962454 538744120 /nfs/dbraw/zinc/74/41/20/538744120.db2.gz OGYGYJJZPAJTRF-QWRGUYRKSA-N 1 2 249.376 0.920 20 0 BCADLO C[N@@H+]1CCN(CC[C@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866513 356982466 /nfs/dbraw/zinc/98/24/66/356982466.db2.gz FXGVSWCBEAYPNU-CHWSQXEVSA-N 1 2 242.363 0.554 20 0 BCADLO C[N@H+]1CCN(CC[C@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866513 356982470 /nfs/dbraw/zinc/98/24/70/356982470.db2.gz FXGVSWCBEAYPNU-CHWSQXEVSA-N 1 2 242.363 0.554 20 0 BCADLO C[N@@H+]1CCN(CC[C@@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866516 356982541 /nfs/dbraw/zinc/98/25/41/356982541.db2.gz FXGVSWCBEAYPNU-OLZOCXBDSA-N 1 2 242.363 0.554 20 0 BCADLO C[N@H+]1CCN(CC[C@@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866516 356982545 /nfs/dbraw/zinc/98/25/45/356982545.db2.gz FXGVSWCBEAYPNU-OLZOCXBDSA-N 1 2 242.363 0.554 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000582303634 357042169 /nfs/dbraw/zinc/04/21/69/357042169.db2.gz GRDRHZDNLYCTIZ-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc[nH+]1 ZINC000626467970 357004521 /nfs/dbraw/zinc/00/45/21/357004521.db2.gz NFHHLQQNXUYTCL-CZMCAQCFSA-N 1 2 248.286 0.197 20 0 BCADLO Cc1cc(NC(=O)NC[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000626468826 357005671 /nfs/dbraw/zinc/00/56/71/357005671.db2.gz YIBNDXBQUGFOAD-JGZJWPJOSA-N 1 2 235.287 0.704 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000355274660 538792831 /nfs/dbraw/zinc/79/28/31/538792831.db2.gz XJEKJSMKKLCECT-KKZNHRDASA-N 1 2 237.303 0.850 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccoc1 ZINC000355251332 538794013 /nfs/dbraw/zinc/79/40/13/538794013.db2.gz CSXWHJGQELYMOV-UHFFFAOYSA-N 1 2 219.244 0.872 20 0 BCADLO COc1ccncc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399881197 357091912 /nfs/dbraw/zinc/09/19/12/357091912.db2.gz YKMZXCRGCINVDW-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO COc1ccncc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399881197 357091915 /nfs/dbraw/zinc/09/19/15/357091915.db2.gz YKMZXCRGCINVDW-NSHDSACASA-N 1 2 238.287 0.283 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(CC(N)=O)C1 ZINC000582371339 357114213 /nfs/dbraw/zinc/11/42/13/357114213.db2.gz VYHQENBJHUTNHG-UHFFFAOYSA-N 1 2 220.276 0.405 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCn2nncc2C1 ZINC000582429003 357149118 /nfs/dbraw/zinc/14/91/18/357149118.db2.gz GPMOIEHZOZYHEH-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ccncc1C[N@H+]1CCn2nncc2C1 ZINC000582429003 357149124 /nfs/dbraw/zinc/14/91/24/357149124.db2.gz GPMOIEHZOZYHEH-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[N@H+](Cc1ncccc1O)[C@@H]1CCNC1=O ZINC000582387362 357120834 /nfs/dbraw/zinc/12/08/34/357120834.db2.gz ULOLLRQOSMENSL-SECBINFHSA-N 1 2 221.260 0.108 20 0 BCADLO C[N@@H+](Cc1ncccc1O)[C@@H]1CCNC1=O ZINC000582387362 357120837 /nfs/dbraw/zinc/12/08/37/357120837.db2.gz ULOLLRQOSMENSL-SECBINFHSA-N 1 2 221.260 0.108 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)n[nH]1 ZINC000376057333 357193705 /nfs/dbraw/zinc/19/37/05/357193705.db2.gz YNUMCGGWDRPGPO-VHSXEESVSA-N 1 2 236.319 0.978 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CC(F)(F)F ZINC000356759265 538815266 /nfs/dbraw/zinc/81/52/66/538815266.db2.gz CXGICJAGQOOVNE-UHFFFAOYSA-N 1 2 221.182 0.989 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccncn1 ZINC000356753901 538816722 /nfs/dbraw/zinc/81/67/22/538816722.db2.gz JYFFHCMBKAFIRK-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO c1c[nH+]c(CN2CCC3(C2)OCCO3)[nH]1 ZINC000160693874 357177561 /nfs/dbraw/zinc/17/75/61/357177561.db2.gz GJFCEFWTGFGUID-UHFFFAOYSA-N 1 2 209.249 0.359 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC([C@@H](C)O)C1 ZINC000639900493 357285211 /nfs/dbraw/zinc/28/52/11/357285211.db2.gz ULZDAWNWYXRTEE-SECBINFHSA-N 1 2 235.287 0.656 20 0 BCADLO Cn1cncc1CNC(=O)NCCn1cc[nH+]c1 ZINC000357064114 538824987 /nfs/dbraw/zinc/82/49/87/538824987.db2.gz GLTGRDKCUDBFGC-UHFFFAOYSA-N 1 2 248.290 0.116 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC000393749863 357295834 /nfs/dbraw/zinc/29/58/34/357295834.db2.gz UJOIBWOQGJLTGU-BDAKNGLRSA-N 1 2 211.265 0.159 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC000639896896 357265281 /nfs/dbraw/zinc/26/52/81/357265281.db2.gz WFUVLMSQBWFFKI-SECBINFHSA-N 1 2 220.276 0.542 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000639896896 357265283 /nfs/dbraw/zinc/26/52/83/357265283.db2.gz WFUVLMSQBWFFKI-SECBINFHSA-N 1 2 220.276 0.542 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccccc1O ZINC000356803765 538818447 /nfs/dbraw/zinc/81/84/47/538818447.db2.gz VGSCZNOJPULAMN-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(=O)OC ZINC000050067148 357312536 /nfs/dbraw/zinc/31/25/36/357312536.db2.gz FAEXPMJCTKPZIA-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(=O)OC ZINC000050067148 357312540 /nfs/dbraw/zinc/31/25/40/357312540.db2.gz FAEXPMJCTKPZIA-UHFFFAOYSA-N 1 2 203.238 0.044 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)no1 ZINC000582479299 357315906 /nfs/dbraw/zinc/31/59/06/357315906.db2.gz GEXQHZZFKLRKJQ-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)no1 ZINC000582479299 357315909 /nfs/dbraw/zinc/31/59/09/357315909.db2.gz GEXQHZZFKLRKJQ-KOLCDFICSA-N 1 2 226.276 0.158 20 0 BCADLO CC=CC[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000357706360 538833641 /nfs/dbraw/zinc/83/36/41/538833641.db2.gz IOKNCKSXHXSTIL-XOULXFPDSA-N 1 2 248.286 0.807 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)[C@@H](C)O1 ZINC000582671961 357360518 /nfs/dbraw/zinc/36/05/18/357360518.db2.gz ZHUAESDJDNMZPU-GMTAPVOTSA-N 1 2 237.303 0.813 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC000582864364 357415909 /nfs/dbraw/zinc/41/59/09/357415909.db2.gz BRNQAJLLVCHPMT-KOLCDFICSA-N 1 2 237.303 0.192 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)OC ZINC000395499703 357442878 /nfs/dbraw/zinc/44/28/78/357442878.db2.gz JRCJAQGACPSKOE-UHFFFAOYSA-N 1 2 225.292 0.944 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)N1CCOCC1 ZINC000395336179 357425107 /nfs/dbraw/zinc/42/51/07/357425107.db2.gz VRDBDVMUWBQCPX-UHFFFAOYSA-N 1 2 238.291 0.445 20 0 BCADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000582753582 357380944 /nfs/dbraw/zinc/38/09/44/357380944.db2.gz JMQUAFYOTJWXNV-MRTMQBJTSA-N 1 2 225.292 0.999 20 0 BCADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000582753582 357380946 /nfs/dbraw/zinc/38/09/46/357380946.db2.gz JMQUAFYOTJWXNV-MRTMQBJTSA-N 1 2 225.292 0.999 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)CO ZINC000583152611 357496986 /nfs/dbraw/zinc/49/69/86/357496986.db2.gz YPPZFUAZTVTZQA-UHFFFAOYSA-N 1 2 211.265 0.387 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396955120 357487755 /nfs/dbraw/zinc/48/77/55/357487755.db2.gz BJCNXPGJTCFATA-NXEZZACHSA-N 1 2 238.287 0.270 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCNC(=O)[C@@H]2C)O1 ZINC000188544509 357560880 /nfs/dbraw/zinc/56/08/80/357560880.db2.gz SCHFLEKBGIOQLS-UTLUCORTSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+]2CCNC(=O)[C@@H]2C)O1 ZINC000188544509 357560882 /nfs/dbraw/zinc/56/08/82/357560882.db2.gz SCHFLEKBGIOQLS-UTLUCORTSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188559519 357561215 /nfs/dbraw/zinc/56/12/15/357561215.db2.gz AULKQGYKTJOMPO-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188559519 357561218 /nfs/dbraw/zinc/56/12/18/357561218.db2.gz AULKQGYKTJOMPO-MRVPVSSYSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CCN(C)C(=O)C2)O1 ZINC000188555080 357561789 /nfs/dbraw/zinc/56/17/89/357561789.db2.gz WDBMVGJNTBHQTJ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CCN(C)C(=O)C2)O1 ZINC000188555080 357561792 /nfs/dbraw/zinc/56/17/92/357561792.db2.gz WDBMVGJNTBHQTJ-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO O=S1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189261369 357625793 /nfs/dbraw/zinc/62/57/93/357625793.db2.gz WQFKZYCQNVYUFR-JTQLQIEISA-N 1 2 217.334 0.620 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000189411493 357640544 /nfs/dbraw/zinc/64/05/44/357640544.db2.gz ILCCDJFQJDMORX-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C)O1 ZINC000189411493 357640547 /nfs/dbraw/zinc/64/05/47/357640547.db2.gz ILCCDJFQJDMORX-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000189411473 357641281 /nfs/dbraw/zinc/64/12/81/357641281.db2.gz ILCCDJFQJDMORX-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000189411473 357641286 /nfs/dbraw/zinc/64/12/86/357641286.db2.gz ILCCDJFQJDMORX-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189942743 357676550 /nfs/dbraw/zinc/67/65/50/357676550.db2.gz PLVRCVDXACVLQB-UHFFFAOYSA-N 1 2 239.323 0.259 20 0 BCADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[C@H](C)O ZINC000397763855 357682127 /nfs/dbraw/zinc/68/21/27/357682127.db2.gz XJRWVEJSDFPQGK-ZJUUUORDSA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1c[nH+]c[nH]1 ZINC000190093627 357683442 /nfs/dbraw/zinc/68/34/42/357683442.db2.gz RGFPXOIYFFBNSR-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@H]1C(=O)N(C)CCN1Cc1c[nH]c[nH+]1 ZINC000190093627 357683444 /nfs/dbraw/zinc/68/34/44/357683444.db2.gz RGFPXOIYFFBNSR-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000190344971 357702573 /nfs/dbraw/zinc/70/25/73/357702573.db2.gz JEZNQQHZNNELRU-GHMZBOCLSA-N 1 2 243.303 0.354 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000190344971 357702577 /nfs/dbraw/zinc/70/25/77/357702577.db2.gz JEZNQQHZNNELRU-GHMZBOCLSA-N 1 2 243.303 0.354 20 0 BCADLO C[C@@H]1COC[C@H](C)N1CC[N@@H+]1CCOC[C@H]1C ZINC000191507145 357777937 /nfs/dbraw/zinc/77/79/37/357777937.db2.gz IATNQNRQLMQFKU-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1COC[C@H](C)N1CC[N@H+]1CCOC[C@H]1C ZINC000191507145 357777940 /nfs/dbraw/zinc/77/79/40/357777940.db2.gz IATNQNRQLMQFKU-UPJWGTAASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCOC(C)(C)C2)CCO1 ZINC000191383104 357767064 /nfs/dbraw/zinc/76/70/64/357767064.db2.gz AFWXIOMBGNGNGW-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCOC(C)(C)C2)CCO1 ZINC000191383104 357767065 /nfs/dbraw/zinc/76/70/65/357767065.db2.gz AFWXIOMBGNGNGW-LBPRGKRZSA-N 1 2 242.363 0.818 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1CC[N@@H+]1CCOC[C@@H]1C ZINC000191400156 357768551 /nfs/dbraw/zinc/76/85/51/357768551.db2.gz SPQXAXLYZCLHQV-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1CC[N@H+]1CCOC[C@@H]1C ZINC000191400156 357768556 /nfs/dbraw/zinc/76/85/56/357768556.db2.gz SPQXAXLYZCLHQV-XQQFMLRXSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1ncccn1 ZINC000191934636 357805363 /nfs/dbraw/zinc/80/53/63/357805363.db2.gz RRRCNWYXBKAPHF-UHFFFAOYSA-N 1 2 222.292 0.420 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1ncccn1 ZINC000191934636 357805364 /nfs/dbraw/zinc/80/53/64/357805364.db2.gz RRRCNWYXBKAPHF-UHFFFAOYSA-N 1 2 222.292 0.420 20 0 BCADLO CCCC[C@H](COC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191961954 357807287 /nfs/dbraw/zinc/80/72/87/357807287.db2.gz FJOIGJRWZGMTAY-GMTAPVOTSA-N 1 2 247.335 0.704 20 0 BCADLO O=C(CNCC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000086136776 357856905 /nfs/dbraw/zinc/85/69/05/357856905.db2.gz ZHEQQTZMTUDOPK-UHFFFAOYSA-N 1 2 236.197 0.178 20 0 BCADLO O=C(CNCC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000086136776 357856909 /nfs/dbraw/zinc/85/69/09/357856909.db2.gz ZHEQQTZMTUDOPK-UHFFFAOYSA-N 1 2 236.197 0.178 20 0 BCADLO Cn1nnc(C[NH2+]C[C@@H](O)CC2CCCC2)n1 ZINC000398077610 357828049 /nfs/dbraw/zinc/82/80/49/357828049.db2.gz IZUFXFQAXGGXMG-JTQLQIEISA-N 1 2 239.323 0.241 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1ccoc1C(=O)OC ZINC000234873978 357839585 /nfs/dbraw/zinc/83/95/85/357839585.db2.gz MNSUNYFNWKXDAA-SECBINFHSA-N 1 2 243.259 0.163 20 0 BCADLO CC(=O)NCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583756623 357935566 /nfs/dbraw/zinc/93/55/66/357935566.db2.gz KLXVUCHSCGIOOL-VIFPVBQESA-N 1 2 238.291 0.087 20 0 BCADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCO)CCO1 ZINC000610452332 357943773 /nfs/dbraw/zinc/94/37/73/357943773.db2.gz OPWDJSGZFNMEDT-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCO)CCO1 ZINC000610452332 357943775 /nfs/dbraw/zinc/94/37/75/357943775.db2.gz OPWDJSGZFNMEDT-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO COC[C@@](C)(CO)[NH2+]Cc1nc(C2CC2)no1 ZINC000639953149 357974581 /nfs/dbraw/zinc/97/45/81/357974581.db2.gz VGLUPLKRKHOGQV-LLVKDONJSA-N 1 2 241.291 0.434 20 0 BCADLO CCc1nnc(C[NH2+][C@](C)(CO)COC)s1 ZINC000639957188 357981288 /nfs/dbraw/zinc/98/12/88/357981288.db2.gz KVKRSOCOJZYBGU-SNVBAGLBSA-N 1 2 245.348 0.588 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000639968037 358020976 /nfs/dbraw/zinc/02/09/76/358020976.db2.gz PSLUEQFGCYQQCE-SECBINFHSA-N 1 2 236.319 0.817 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000639968037 358020977 /nfs/dbraw/zinc/02/09/77/358020977.db2.gz PSLUEQFGCYQQCE-SECBINFHSA-N 1 2 236.319 0.817 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000639971234 358022057 /nfs/dbraw/zinc/02/20/57/358022057.db2.gz YFXUWRAXWQDJCI-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000639971234 358022060 /nfs/dbraw/zinc/02/20/60/358022060.db2.gz YFXUWRAXWQDJCI-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639970571 358023367 /nfs/dbraw/zinc/02/33/67/358023367.db2.gz QQBHVUILFZRRIN-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639970571 358023372 /nfs/dbraw/zinc/02/33/72/358023372.db2.gz QQBHVUILFZRRIN-UHFFFAOYSA-N 1 2 224.308 0.628 20 0 BCADLO O=C(Nc1cncnc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639991806 358039556 /nfs/dbraw/zinc/03/95/56/358039556.db2.gz XZRBILPSMAGLMS-MRVPVSSYSA-N 1 2 244.258 0.420 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000584526649 358041022 /nfs/dbraw/zinc/04/10/22/358041022.db2.gz BOJSJVZIJGOHMW-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000584526649 358041023 /nfs/dbraw/zinc/04/10/23/358041023.db2.gz BOJSJVZIJGOHMW-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000051579824 358038883 /nfs/dbraw/zinc/03/88/83/358038883.db2.gz JUSNYXXSDQOPQU-MRVPVSSYSA-N 1 2 228.292 0.148 20 0 BCADLO CCOC1CC([NH2+][C@H](C)C(=O)OC)C1 ZINC000169190214 134249337 /nfs/dbraw/zinc/24/93/37/134249337.db2.gz OEDGWLPCFLHWDU-AFPNSQJFSA-N 1 2 201.266 0.705 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)no2)[C@@](C)(CO)C1 ZINC000640011802 358067592 /nfs/dbraw/zinc/06/75/92/358067592.db2.gz XZPKCGNBTWVPIZ-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)no2)[C@@](C)(CO)C1 ZINC000640011802 358067594 /nfs/dbraw/zinc/06/75/94/358067594.db2.gz XZPKCGNBTWVPIZ-GXSJLCMTSA-N 1 2 241.291 0.350 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COC(C)C)C(C)C ZINC000037887889 358096644 /nfs/dbraw/zinc/09/66/44/358096644.db2.gz TXOXHXSAXDFHGQ-MNOVXSKESA-N 1 2 247.335 0.560 20 0 BCADLO Cc1noc(C[NH2+]C[C@H](O)COCC(C)C)n1 ZINC000038034858 358103420 /nfs/dbraw/zinc/10/34/20/358103420.db2.gz IFVFTNCQDUCFOF-JTQLQIEISA-N 1 2 243.307 0.501 20 0 BCADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)CCCO1 ZINC000170764507 134253566 /nfs/dbraw/zinc/25/35/66/134253566.db2.gz DVHCNBGEGNBGSN-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CCCO1 ZINC000170764507 134253567 /nfs/dbraw/zinc/25/35/67/134253567.db2.gz DVHCNBGEGNBGSN-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000170917007 134255291 /nfs/dbraw/zinc/25/52/91/134255291.db2.gz MZPYGMLAAQLEMG-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000170917007 134255292 /nfs/dbraw/zinc/25/52/92/134255292.db2.gz MZPYGMLAAQLEMG-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CC[C@@H](C[C@H](C)CO)NC(=O)Cn1cc[nH+]c1 ZINC000584813742 358184222 /nfs/dbraw/zinc/18/42/22/358184222.db2.gz GWHCHKHPLIXHAK-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@@](C)([NH2+]CC1(C(=O)OC)CC1)C(=O)OC ZINC000450661990 202227694 /nfs/dbraw/zinc/22/76/94/202227694.db2.gz VSOJKBQYAPFYPU-LLVKDONJSA-N 1 2 243.303 0.871 20 0 BCADLO CCOCC[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610826440 358206930 /nfs/dbraw/zinc/20/69/30/358206930.db2.gz DECYEDWFTMWYAQ-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO CCOCC[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610826440 358206935 /nfs/dbraw/zinc/20/69/35/358206935.db2.gz DECYEDWFTMWYAQ-NSHDSACASA-N 1 2 247.335 0.921 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659227 358218953 /nfs/dbraw/zinc/21/89/53/358218953.db2.gz DDGALSHZPIZRAL-SNVBAGLBSA-N 1 2 243.351 0.343 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659227 358218956 /nfs/dbraw/zinc/21/89/56/358218956.db2.gz DDGALSHZPIZRAL-SNVBAGLBSA-N 1 2 243.351 0.343 20 0 BCADLO COCC[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610828729 358210345 /nfs/dbraw/zinc/21/03/45/358210345.db2.gz LNBYNUNFTPRLPL-JTQLQIEISA-N 1 2 233.308 0.531 20 0 BCADLO COCC[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000610828729 358210347 /nfs/dbraw/zinc/21/03/47/358210347.db2.gz LNBYNUNFTPRLPL-JTQLQIEISA-N 1 2 233.308 0.531 20 0 BCADLO C/C=C/CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000623425024 358221474 /nfs/dbraw/zinc/22/14/74/358221474.db2.gz NZSDJZHEEVMFNR-PGLGOXFNSA-N 1 2 241.335 0.582 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(N)=O ZINC000172613510 134268708 /nfs/dbraw/zinc/26/87/08/134268708.db2.gz UWDXVUNXYZDPQB-SFYZADRCSA-N 1 2 233.275 0.254 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450752682 202256750 /nfs/dbraw/zinc/25/67/50/202256750.db2.gz GOUYKLLRSYBSLD-NWDGAFQWSA-N 1 2 241.331 0.827 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450752682 202256754 /nfs/dbraw/zinc/25/67/54/202256754.db2.gz GOUYKLLRSYBSLD-NWDGAFQWSA-N 1 2 241.331 0.827 20 0 BCADLO Cc1cccn2cc(CC(=O)NCCO)[nH+]c12 ZINC000041287532 358282019 /nfs/dbraw/zinc/28/20/19/358282019.db2.gz DBCAKIDQNPZQMA-UHFFFAOYSA-N 1 2 233.271 0.294 20 0 BCADLO Cc1cccn2cc(CC(=O)NC[C@@H](C)O)[nH+]c12 ZINC000041287554 358282068 /nfs/dbraw/zinc/28/20/68/358282068.db2.gz LEURVWQNEMUSHB-SNVBAGLBSA-N 1 2 247.298 0.682 20 0 BCADLO Cc1cccn2cc(CC(=O)N(C)CCO)[nH+]c12 ZINC000041291960 358282674 /nfs/dbraw/zinc/28/26/74/358282674.db2.gz UILJVLDTAHIPDW-UHFFFAOYSA-N 1 2 247.298 0.636 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC(F)F)C1 ZINC000578204437 366389898 /nfs/dbraw/zinc/38/98/98/366389898.db2.gz SDKKYCKVUSBQSG-UHFFFAOYSA-N 1 2 206.236 0.710 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)C1 ZINC000134836074 325378459 /nfs/dbraw/zinc/37/84/59/325378459.db2.gz FKCLNTWJRYRYME-SSDOTTSWSA-N 1 2 208.265 0.914 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)C1 ZINC000134836074 325378462 /nfs/dbraw/zinc/37/84/62/325378462.db2.gz FKCLNTWJRYRYME-SSDOTTSWSA-N 1 2 208.265 0.914 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226600241 358341500 /nfs/dbraw/zinc/34/15/00/358341500.db2.gz KQRUWYLOUGAPGB-DJLDLDEBSA-N 1 2 215.293 0.687 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173453081 134274219 /nfs/dbraw/zinc/27/42/19/134274219.db2.gz XCLZDGOTFFANOP-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173453081 134274220 /nfs/dbraw/zinc/27/42/20/134274220.db2.gz XCLZDGOTFFANOP-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H](C)C[S@@](C)=O ZINC000229092210 358345273 /nfs/dbraw/zinc/34/52/73/358345273.db2.gz IZRIPUGIBSEPCB-ADNUTGFCSA-N 1 2 244.320 0.246 20 0 BCADLO COc1c(N)[nH+]cnc1NCC(C)(C)CCO ZINC000228041735 358368175 /nfs/dbraw/zinc/36/81/75/358368175.db2.gz AIMNJKJKOHKKLP-UHFFFAOYSA-N 1 2 240.307 0.888 20 0 BCADLO COc1c(N)nc[nH+]c1NCC(C)(C)CCO ZINC000228041735 358368177 /nfs/dbraw/zinc/36/81/77/358368177.db2.gz AIMNJKJKOHKKLP-UHFFFAOYSA-N 1 2 240.307 0.888 20 0 BCADLO COC(=O)[C@@H](NCCn1cc[nH+]c1)C(C)C ZINC000043442251 358376248 /nfs/dbraw/zinc/37/62/48/358376248.db2.gz FXJKMLCCGOMINO-JTQLQIEISA-N 1 2 225.292 0.670 20 0 BCADLO C[C@@H](NC(=O)c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000227874209 358364599 /nfs/dbraw/zinc/36/45/99/358364599.db2.gz WEQKLGGTBFRDGD-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO FC(F)(F)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173929407 134276474 /nfs/dbraw/zinc/27/64/74/134276474.db2.gz YEVJPGNVNIIMFC-SECBINFHSA-N 1 2 238.253 0.955 20 0 BCADLO C[C@@H]1CN(C(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173962032 134276827 /nfs/dbraw/zinc/27/68/27/134276827.db2.gz BWJNJQIRXDXLKO-GHMZBOCLSA-N 1 2 241.335 0.321 20 0 BCADLO c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)no1 ZINC000173942359 134276830 /nfs/dbraw/zinc/27/68/30/134276830.db2.gz JALURBROQNWMOH-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO O=C(CC1(O)CCCC1)NCCn1cc[nH+]c1 ZINC000173945133 134277090 /nfs/dbraw/zinc/27/70/90/134277090.db2.gz IIELHXJQNRGZQU-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](O)C(C)C ZINC000230059655 358391577 /nfs/dbraw/zinc/39/15/77/358391577.db2.gz RKLCSXVHFNMGFE-ZETCQYMHSA-N 1 2 226.280 0.496 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](O)C(C)C ZINC000230059655 358391582 /nfs/dbraw/zinc/39/15/82/358391582.db2.gz RKLCSXVHFNMGFE-ZETCQYMHSA-N 1 2 226.280 0.496 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCOC(C)C ZINC000610998649 358425066 /nfs/dbraw/zinc/42/50/66/358425066.db2.gz OTMPZANQKAMLCK-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCOC(C)C ZINC000610998649 358425069 /nfs/dbraw/zinc/42/50/69/358425069.db2.gz OTMPZANQKAMLCK-LLVKDONJSA-N 1 2 247.335 0.921 20 0 BCADLO CS[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000042791829 358529372 /nfs/dbraw/zinc/52/93/72/358529372.db2.gz XXNYMDJBPIGGQQ-MRVPVSSYSA-N 1 2 202.323 0.512 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC1 ZINC000047028942 358583742 /nfs/dbraw/zinc/58/37/42/358583742.db2.gz FAZZCRVGWUGYPN-VIFPVBQESA-N 1 2 208.265 0.687 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](O)C1)NCC(F)(F)F ZINC000047864726 358604805 /nfs/dbraw/zinc/60/48/05/358604805.db2.gz ORJHDZXQUPTIQS-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCC(F)(F)F ZINC000047864726 358604807 /nfs/dbraw/zinc/60/48/07/358604807.db2.gz ORJHDZXQUPTIQS-SSDOTTSWSA-N 1 2 240.225 0.122 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048418331 358634259 /nfs/dbraw/zinc/63/42/59/358634259.db2.gz URAGMKMFLMKNET-PHIMTYICSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048418331 358634264 /nfs/dbraw/zinc/63/42/64/358634264.db2.gz URAGMKMFLMKNET-PHIMTYICSA-N 1 2 228.336 0.868 20 0 BCADLO CN(C)c1ccc(CNC(=O)c2ccn[nH]2)c[nH+]1 ZINC000048573052 358640428 /nfs/dbraw/zinc/64/04/28/358640428.db2.gz YUGWYMBCSHSSDB-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000047577788 358594439 /nfs/dbraw/zinc/59/44/39/358594439.db2.gz CQPDIMYXPJRZDM-SNVBAGLBSA-N 1 2 229.324 0.416 20 0 BCADLO CCCC[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000048667930 358646759 /nfs/dbraw/zinc/64/67/59/358646759.db2.gz AFPNVNSIRLZSDP-UHFFFAOYSA-N 1 2 239.323 0.602 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000048667930 358646763 /nfs/dbraw/zinc/64/67/63/358646763.db2.gz AFPNVNSIRLZSDP-UHFFFAOYSA-N 1 2 239.323 0.602 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000131291902 358668147 /nfs/dbraw/zinc/66/81/47/358668147.db2.gz UOBQZZYRBJDCDL-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000131291902 358668151 /nfs/dbraw/zinc/66/81/51/358668151.db2.gz UOBQZZYRBJDCDL-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CC(N)=O ZINC000049237246 358677128 /nfs/dbraw/zinc/67/71/28/358677128.db2.gz ZNOSVWWYVFUELW-NXEZZACHSA-N 1 2 241.335 0.193 20 0 BCADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CC(N)=O ZINC000049237246 358677130 /nfs/dbraw/zinc/67/71/30/358677130.db2.gz ZNOSVWWYVFUELW-NXEZZACHSA-N 1 2 241.335 0.193 20 0 BCADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCO ZINC000131905884 358700506 /nfs/dbraw/zinc/70/05/06/358700506.db2.gz ZHGZUURIJRSTIH-LBPRGKRZSA-N 1 2 224.304 0.781 20 0 BCADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCO ZINC000131905884 358700507 /nfs/dbraw/zinc/70/05/07/358700507.db2.gz ZHGZUURIJRSTIH-LBPRGKRZSA-N 1 2 224.304 0.781 20 0 BCADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nccn1C ZINC000132120345 358707862 /nfs/dbraw/zinc/70/78/62/358707862.db2.gz VOVRKVQMMNRMIN-NKWVEPMBSA-N 1 2 237.225 0.994 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCCC(=O)OC ZINC000050064949 358711723 /nfs/dbraw/zinc/71/17/23/358711723.db2.gz JWRGFFXCVUUYSE-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+]1CCCC(=O)OC ZINC000050064949 358711724 /nfs/dbraw/zinc/71/17/24/358711724.db2.gz JWRGFFXCVUUYSE-SNVBAGLBSA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCCC(=O)OC ZINC000050064948 358711768 /nfs/dbraw/zinc/71/17/68/358711768.db2.gz JWRGFFXCVUUYSE-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]1CCCC(=O)OC ZINC000050064948 358711769 /nfs/dbraw/zinc/71/17/69/358711769.db2.gz JWRGFFXCVUUYSE-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCOC(=O)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000050064036 358711968 /nfs/dbraw/zinc/71/19/68/358711968.db2.gz MIRQENFGGYNWHC-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)C[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000050064036 358711970 /nfs/dbraw/zinc/71/19/70/358711970.db2.gz MIRQENFGGYNWHC-VIFPVBQESA-N 1 2 243.303 0.823 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ncc[nH]1 ZINC000613675813 363618383 /nfs/dbraw/zinc/61/83/83/363618383.db2.gz SEEGAKDSBMRPCP-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCNC(=O)CC1 ZINC000054258947 358857456 /nfs/dbraw/zinc/85/74/56/358857456.db2.gz FKAXJBUWTWAYJU-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCNC(=O)CC1 ZINC000054258947 358857458 /nfs/dbraw/zinc/85/74/58/358857458.db2.gz FKAXJBUWTWAYJU-SECBINFHSA-N 1 2 241.335 0.112 20 0 BCADLO O=C(Nc1cc[nH]n1)[C@H]1CCn2c[nH+]cc2C1 ZINC000135994361 358858180 /nfs/dbraw/zinc/85/81/80/358858180.db2.gz TXOOTWJESOZXQW-QMMMGPOBSA-N 1 2 231.259 0.807 20 0 BCADLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)cnn1C ZINC000135482909 358841026 /nfs/dbraw/zinc/84/10/26/358841026.db2.gz IQVJNUIFNINKAE-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(=O)[nH]c1 ZINC000135487184 358841262 /nfs/dbraw/zinc/84/12/62/358841262.db2.gz CQTLQQYLTSDTEB-UHFFFAOYSA-N 1 2 232.243 0.071 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135559872 358844552 /nfs/dbraw/zinc/84/45/52/358844552.db2.gz BRXXNCRLEUBVRD-SNVBAGLBSA-N 1 2 237.303 0.902 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135559872 358844554 /nfs/dbraw/zinc/84/45/54/358844554.db2.gz BRXXNCRLEUBVRD-SNVBAGLBSA-N 1 2 237.303 0.902 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135582143 358845577 /nfs/dbraw/zinc/84/55/77/358845577.db2.gz WKUJRDRUBZNCAN-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135582143 358845578 /nfs/dbraw/zinc/84/55/78/358845578.db2.gz WKUJRDRUBZNCAN-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C)C1 ZINC000054172717 358856551 /nfs/dbraw/zinc/85/65/51/358856551.db2.gz SNXHSQNMVASDCF-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C)C1 ZINC000054172717 358856552 /nfs/dbraw/zinc/85/65/52/358856552.db2.gz SNXHSQNMVASDCF-RKDXNWHRSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2ncnn2C)C1 ZINC000177476829 134298335 /nfs/dbraw/zinc/29/83/35/134298335.db2.gz WFENPKBINZPIHT-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ncnn2C)C1 ZINC000177476829 134298336 /nfs/dbraw/zinc/29/83/36/134298336.db2.gz WFENPKBINZPIHT-NSHDSACASA-N 1 2 238.291 0.200 20 0 BCADLO CC[C@@H](NC(=O)[C@H](C)n1cncn1)c1[nH]cc[nH+]1 ZINC000140513427 358922382 /nfs/dbraw/zinc/92/23/82/358922382.db2.gz IHIUKVINXVAHHD-DTWKUNHWSA-N 1 2 248.290 0.830 20 0 BCADLO CN1CCN(c2cc(NC3CC3)[nH+]cn2)CC1=O ZINC000578343728 366529686 /nfs/dbraw/zinc/52/96/86/366529686.db2.gz GWAHLTCWURESDD-UHFFFAOYSA-N 1 2 247.302 0.329 20 0 BCADLO CN1CCN(c2cc(NC3CC3)nc[nH+]2)CC1=O ZINC000578343728 366529689 /nfs/dbraw/zinc/52/96/89/366529689.db2.gz GWAHLTCWURESDD-UHFFFAOYSA-N 1 2 247.302 0.329 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000073413779 359101858 /nfs/dbraw/zinc/10/18/58/359101858.db2.gz WDJNSQXGFWCBSA-UHFFFAOYSA-N 1 2 241.291 0.890 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000073413779 359101861 /nfs/dbraw/zinc/10/18/61/359101861.db2.gz WDJNSQXGFWCBSA-UHFFFAOYSA-N 1 2 241.291 0.890 20 0 BCADLO CCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000074556942 359122396 /nfs/dbraw/zinc/12/23/96/359122396.db2.gz DTYCQOKXMYQOAD-DTORHVGOSA-N 1 2 220.338 0.361 20 0 BCADLO CCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000074556942 359122397 /nfs/dbraw/zinc/12/23/97/359122397.db2.gz DTYCQOKXMYQOAD-DTORHVGOSA-N 1 2 220.338 0.361 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246494177 359123123 /nfs/dbraw/zinc/12/31/23/359123123.db2.gz INXNSOGAQPXYCU-GMXVVIOVSA-N 1 2 240.347 0.869 20 0 BCADLO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246494177 359123128 /nfs/dbraw/zinc/12/31/28/359123128.db2.gz INXNSOGAQPXYCU-GMXVVIOVSA-N 1 2 240.347 0.869 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ccccn1 ZINC000548191734 325440370 /nfs/dbraw/zinc/44/03/70/325440370.db2.gz OIPBMKQENYGSRL-UHFFFAOYSA-N 1 2 216.244 0.996 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccccc2)C1 ZINC000074773275 359128364 /nfs/dbraw/zinc/12/83/64/359128364.db2.gz FTIZWWIEPPDYRR-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccccc2)C1 ZINC000074773275 359128367 /nfs/dbraw/zinc/12/83/67/359128367.db2.gz FTIZWWIEPPDYRR-CYBMUJFWSA-N 1 2 248.326 0.676 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000611238006 359207632 /nfs/dbraw/zinc/20/76/32/359207632.db2.gz WQXKWRHNZRYIMW-SNVBAGLBSA-N 1 2 242.275 0.421 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000611238006 359207635 /nfs/dbraw/zinc/20/76/35/359207635.db2.gz WQXKWRHNZRYIMW-SNVBAGLBSA-N 1 2 242.275 0.421 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2nccs2)C1=O ZINC000308917048 491140217 /nfs/dbraw/zinc/14/02/17/491140217.db2.gz GEHWPIRBBOEJSH-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)O ZINC000611679173 359416760 /nfs/dbraw/zinc/41/67/60/359416760.db2.gz VWIXACIHMYOBFD-RKDXNWHRSA-N 1 2 237.303 0.411 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613837937 363661641 /nfs/dbraw/zinc/66/16/41/363661641.db2.gz VHFBYHRFQFRVFL-DTWKUNHWSA-N 1 2 237.303 0.666 20 0 BCADLO CO[C@@H](C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613837937 363661645 /nfs/dbraw/zinc/66/16/45/363661645.db2.gz VHFBYHRFQFRVFL-DTWKUNHWSA-N 1 2 237.303 0.666 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501964 359385336 /nfs/dbraw/zinc/38/53/36/359385336.db2.gz LEPHFHKVYHEUBE-VGMNWLOBSA-N 1 2 245.298 0.510 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501964 359385339 /nfs/dbraw/zinc/38/53/39/359385339.db2.gz LEPHFHKVYHEUBE-VGMNWLOBSA-N 1 2 245.298 0.510 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611730545 359436031 /nfs/dbraw/zinc/43/60/31/359436031.db2.gz MWFUSXSQMDJOOZ-LURJTMIESA-N 1 2 229.230 0.896 20 0 BCADLO O=C(NCC(F)F)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611730545 359436034 /nfs/dbraw/zinc/43/60/34/359436034.db2.gz MWFUSXSQMDJOOZ-LURJTMIESA-N 1 2 229.230 0.896 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@H](C)OC ZINC000611790180 359451752 /nfs/dbraw/zinc/45/17/52/359451752.db2.gz KOBBCBGAKZFHEH-QWRGUYRKSA-N 1 2 247.335 0.920 20 0 BCADLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@H](C)OC ZINC000611790180 359451756 /nfs/dbraw/zinc/45/17/56/359451756.db2.gz KOBBCBGAKZFHEH-QWRGUYRKSA-N 1 2 247.335 0.920 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611960669 359507712 /nfs/dbraw/zinc/50/77/12/359507712.db2.gz AVJNETKWDNPKKX-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611960669 359507716 /nfs/dbraw/zinc/50/77/16/359507716.db2.gz AVJNETKWDNPKKX-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO c1cc(C[N@@H+]2CCn3nncc3C2)n[nH]1 ZINC000580461941 359569019 /nfs/dbraw/zinc/56/90/19/359569019.db2.gz KXNNTJKHRXKWLJ-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO c1cc(C[N@H+]2CCn3nncc3C2)n[nH]1 ZINC000580461941 359569021 /nfs/dbraw/zinc/56/90/21/359569021.db2.gz KXNNTJKHRXKWLJ-UHFFFAOYSA-N 1 2 204.237 0.017 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)CCO1 ZINC000054172534 359596904 /nfs/dbraw/zinc/59/69/04/359596904.db2.gz UFGNVBIMTPHEAX-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)CCO1 ZINC000054172534 359596909 /nfs/dbraw/zinc/59/69/09/359596909.db2.gz UFGNVBIMTPHEAX-NWDGAFQWSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1O ZINC000306320936 359606524 /nfs/dbraw/zinc/60/65/24/359606524.db2.gz WWFUSSXWKUEALY-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1O ZINC000306320936 359606530 /nfs/dbraw/zinc/60/65/30/359606530.db2.gz WWFUSSXWKUEALY-VXNVDRBHSA-N 1 2 213.306 0.741 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269456 /nfs/dbraw/zinc/26/94/56/202269456.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269458 /nfs/dbraw/zinc/26/94/58/202269458.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269462 /nfs/dbraw/zinc/26/94/62/202269462.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269465 /nfs/dbraw/zinc/26/94/65/202269465.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269467 /nfs/dbraw/zinc/26/94/67/202269467.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)[C@@H]1CCCC[C@H]1O ZINC000450800519 202269471 /nfs/dbraw/zinc/26/94/71/202269471.db2.gz YPJSHJCVRHTQHH-NXEZZACHSA-N 1 2 210.281 0.540 20 0 BCADLO CCC[C@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000450801674 202270579 /nfs/dbraw/zinc/27/05/79/202270579.db2.gz ZWVXQYMGFSZIOV-LBPRGKRZSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000450801674 202270580 /nfs/dbraw/zinc/27/05/80/202270580.db2.gz ZWVXQYMGFSZIOV-LBPRGKRZSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000450801671 202270837 /nfs/dbraw/zinc/27/08/37/202270837.db2.gz ZWVXQYMGFSZIOV-GFCCVEGCSA-N 1 2 242.363 0.948 20 0 BCADLO CCC[C@@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000450801671 202270840 /nfs/dbraw/zinc/27/08/40/202270840.db2.gz ZWVXQYMGFSZIOV-GFCCVEGCSA-N 1 2 242.363 0.948 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450897024 202303160 /nfs/dbraw/zinc/30/31/60/202303160.db2.gz PRLPDESCBYXKMN-DTWKUNHWSA-N 1 2 241.291 0.726 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450897024 202303161 /nfs/dbraw/zinc/30/31/61/202303161.db2.gz PRLPDESCBYXKMN-DTWKUNHWSA-N 1 2 241.291 0.726 20 0 BCADLO CCC(=O)CCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000450921204 202309476 /nfs/dbraw/zinc/30/94/76/202309476.db2.gz FKYCOGOSTDLACG-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO CCC(=O)CCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000450921204 202309479 /nfs/dbraw/zinc/30/94/79/202309479.db2.gz FKYCOGOSTDLACG-SNVBAGLBSA-N 1 2 226.320 0.908 20 0 BCADLO C[C@@H](CO)CCCNC(=O)Cc1c[nH+]cn1C ZINC000578390638 366550685 /nfs/dbraw/zinc/55/06/85/366550685.db2.gz WSRAWYOYAOHXFE-SNVBAGLBSA-N 1 2 239.319 0.487 20 0 BCADLO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)C(=O)NC ZINC000450936875 202313853 /nfs/dbraw/zinc/31/38/53/202313853.db2.gz GKOQPLTUEUSSKO-RXMQYKEDSA-N 1 2 243.698 0.649 20 0 BCADLO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)C(=O)NC ZINC000450936875 202313856 /nfs/dbraw/zinc/31/38/56/202313856.db2.gz GKOQPLTUEUSSKO-RXMQYKEDSA-N 1 2 243.698 0.649 20 0 BCADLO CC[C@H](Nc1cc(C)[nH+]cn1)C(=O)NC ZINC000450944397 202316567 /nfs/dbraw/zinc/31/65/67/202316567.db2.gz SOIKMRGUEUCBKN-QMMMGPOBSA-N 1 2 208.265 0.722 20 0 BCADLO CC[C@@H](Nc1cc[nH+]c2ccncc12)C(=O)NC ZINC000450944266 202317087 /nfs/dbraw/zinc/31/70/87/202317087.db2.gz SGIXRFNOWRZYMF-SNVBAGLBSA-N 1 2 244.298 0.988 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000612362706 359810824 /nfs/dbraw/zinc/81/08/24/359810824.db2.gz OJGKGUPAMWKVRL-LYGAQUJYSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000612362706 359810827 /nfs/dbraw/zinc/81/08/27/359810827.db2.gz OJGKGUPAMWKVRL-LYGAQUJYSA-N 1 2 246.376 0.354 20 0 BCADLO CCOC[C@H]([NH2+]Cc1c[nH]nn1)C(C)C ZINC000450973544 202322540 /nfs/dbraw/zinc/32/25/40/202322540.db2.gz UDMWMJBTHRBGDF-JTQLQIEISA-N 1 2 212.297 0.955 20 0 BCADLO CCOC[C@H]([NH2+]Cc1cn[nH]n1)C(C)C ZINC000450973544 202322543 /nfs/dbraw/zinc/32/25/43/202322543.db2.gz UDMWMJBTHRBGDF-JTQLQIEISA-N 1 2 212.297 0.955 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451112754 202351954 /nfs/dbraw/zinc/35/19/54/202351954.db2.gz IPHPSYXCBQOWTN-LBPRGKRZSA-N 1 2 246.326 0.963 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451112754 202351956 /nfs/dbraw/zinc/35/19/56/202351956.db2.gz IPHPSYXCBQOWTN-LBPRGKRZSA-N 1 2 246.326 0.963 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccn(C)n1 ZINC000578515085 366585721 /nfs/dbraw/zinc/58/57/21/366585721.db2.gz JPHXLXWITJPWPG-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCF)CC2 ZINC000626835205 359857006 /nfs/dbraw/zinc/85/70/06/359857006.db2.gz CXUPMSKVKUJTRM-VIFPVBQESA-N 1 2 225.267 0.840 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000451154998 202365470 /nfs/dbraw/zinc/36/54/70/202365470.db2.gz AATGILJVYJMNNU-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000451154998 202365474 /nfs/dbraw/zinc/36/54/74/202365474.db2.gz AATGILJVYJMNNU-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451179483 202369603 /nfs/dbraw/zinc/36/96/03/202369603.db2.gz ATSGVWXXUBKQEF-VIFPVBQESA-N 1 2 246.282 0.052 20 0 BCADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451179483 202369606 /nfs/dbraw/zinc/36/96/06/202369606.db2.gz ATSGVWXXUBKQEF-VIFPVBQESA-N 1 2 246.282 0.052 20 0 BCADLO C[NH+](C)C1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000612533955 359878080 /nfs/dbraw/zinc/87/80/80/359878080.db2.gz ZJNXASLBQHYTPV-SNVBAGLBSA-N 1 2 248.330 0.998 20 0 BCADLO O=C(C[N@H+](C1CC1)C1COC1)NCC1CC1 ZINC000451123562 202360602 /nfs/dbraw/zinc/36/06/02/202360602.db2.gz APQKEHTYGVCPNS-UHFFFAOYSA-N 1 2 224.304 0.376 20 0 BCADLO O=C(C[N@@H+](C1CC1)C1COC1)NCC1CC1 ZINC000451123562 202360606 /nfs/dbraw/zinc/36/06/06/202360606.db2.gz APQKEHTYGVCPNS-UHFFFAOYSA-N 1 2 224.304 0.376 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451123946 202360828 /nfs/dbraw/zinc/36/08/28/202360828.db2.gz WLYHWZNZDYYYGZ-LBPRGKRZSA-N 1 2 246.326 0.963 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451123946 202360831 /nfs/dbraw/zinc/36/08/31/202360831.db2.gz WLYHWZNZDYYYGZ-LBPRGKRZSA-N 1 2 246.326 0.963 20 0 BCADLO CCN(C)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451132028 202362568 /nfs/dbraw/zinc/36/25/68/202362568.db2.gz UJLBAXZNQOMJLY-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451132028 202362572 /nfs/dbraw/zinc/36/25/72/202362572.db2.gz UJLBAXZNQOMJLY-UHFFFAOYSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451190392 202373741 /nfs/dbraw/zinc/37/37/41/202373741.db2.gz QGDQJWHBPAXCHB-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451190392 202373745 /nfs/dbraw/zinc/37/37/45/202373745.db2.gz QGDQJWHBPAXCHB-DTWKUNHWSA-N 1 2 202.273 0.945 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612576432 359889533 /nfs/dbraw/zinc/88/95/33/359889533.db2.gz LOTYTIWETBVBQM-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612576432 359889535 /nfs/dbraw/zinc/88/95/35/359889535.db2.gz LOTYTIWETBVBQM-BDAKNGLRSA-N 1 2 237.303 0.402 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)CC(C)(C)CO ZINC000451245318 202385596 /nfs/dbraw/zinc/38/55/96/202385596.db2.gz HRBGVYHGIAZVGT-UHFFFAOYSA-N 1 2 241.339 0.704 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)CC(C)(C)CO ZINC000451245318 202385600 /nfs/dbraw/zinc/38/56/00/202385600.db2.gz HRBGVYHGIAZVGT-UHFFFAOYSA-N 1 2 241.339 0.704 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000451237862 202384315 /nfs/dbraw/zinc/38/43/15/202384315.db2.gz XAXAVXQTYHVSAJ-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCOC[C@@H](O)C1 ZINC000451237862 202384320 /nfs/dbraw/zinc/38/43/20/202384320.db2.gz XAXAVXQTYHVSAJ-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612582537 359895724 /nfs/dbraw/zinc/89/57/24/359895724.db2.gz OUHCCYQVHQCMSN-GDNZZTSVSA-N 1 2 249.314 0.624 20 0 BCADLO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1COC1 ZINC000451282264 202395355 /nfs/dbraw/zinc/39/53/55/202395355.db2.gz DCWOIWSFTZRFQL-SECBINFHSA-N 1 2 235.349 0.388 20 0 BCADLO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1COC1 ZINC000451282264 202395358 /nfs/dbraw/zinc/39/53/58/202395358.db2.gz DCWOIWSFTZRFQL-SECBINFHSA-N 1 2 235.349 0.388 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CC1CC1 ZINC000309187827 491145973 /nfs/dbraw/zinc/14/59/73/491145973.db2.gz PBTQSJRXEACAHB-LLVKDONJSA-N 1 2 209.293 0.969 20 0 BCADLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1COCC[NH2+]1 ZINC000088369931 359948886 /nfs/dbraw/zinc/94/88/86/359948886.db2.gz ABFJAIMNQQOGIP-LLVKDONJSA-N 1 2 248.282 0.548 20 0 BCADLO COc1nccnc1C[N@H+](C)CCNC(C)=O ZINC000578893304 366670147 /nfs/dbraw/zinc/67/01/47/366670147.db2.gz BDPRMHBYBCNANE-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO COc1nccnc1C[N@@H+](C)CCNC(C)=O ZINC000578893304 366670150 /nfs/dbraw/zinc/67/01/50/366670150.db2.gz BDPRMHBYBCNANE-UHFFFAOYSA-N 1 2 238.291 0.053 20 0 BCADLO NC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088759195 359977681 /nfs/dbraw/zinc/97/76/81/359977681.db2.gz ZXPXPKVGKFVUQJ-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO NC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088759195 359977682 /nfs/dbraw/zinc/97/76/82/359977682.db2.gz ZXPXPKVGKFVUQJ-UHFFFAOYSA-N 1 2 244.254 0.439 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678964 360033611 /nfs/dbraw/zinc/03/36/11/360033611.db2.gz ZKBJBLBBRRZXKK-UWVGGRQHSA-N 1 2 240.347 0.746 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678961 360034009 /nfs/dbraw/zinc/03/40/09/360034009.db2.gz ZKBJBLBBRRZXKK-ZJUUUORDSA-N 1 2 240.347 0.746 20 0 BCADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CC2(CC2)C1 ZINC000612746965 360040259 /nfs/dbraw/zinc/04/02/59/360040259.db2.gz HTADXTAYDKDTOV-LBPRGKRZSA-N 1 2 249.358 0.293 20 0 BCADLO COCC[N@H+](C)CCNCc1cc(C)nn1C ZINC000089183902 359998480 /nfs/dbraw/zinc/99/84/80/359998480.db2.gz LPXVARYKMXBNPI-UHFFFAOYSA-N 1 2 240.351 0.396 20 0 BCADLO COCC[N@@H+](C)CCNCc1cc(C)nn1C ZINC000089183902 359998484 /nfs/dbraw/zinc/99/84/84/359998484.db2.gz LPXVARYKMXBNPI-UHFFFAOYSA-N 1 2 240.351 0.396 20 0 BCADLO COCCCOCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000091102001 360105474 /nfs/dbraw/zinc/10/54/74/360105474.db2.gz ABQCVOBNEHOMCX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO COCCCOCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000091102001 360105482 /nfs/dbraw/zinc/10/54/82/360105482.db2.gz ABQCVOBNEHOMCX-JTQLQIEISA-N 1 2 233.308 0.533 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)NCC1CC1 ZINC000090007260 360052878 /nfs/dbraw/zinc/05/28/78/360052878.db2.gz VQZRDQHAWZRLFQ-GFCCVEGCSA-N 1 2 238.331 0.623 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)NCC1CC1 ZINC000090007260 360052883 /nfs/dbraw/zinc/05/28/83/360052883.db2.gz VQZRDQHAWZRLFQ-GFCCVEGCSA-N 1 2 238.331 0.623 20 0 BCADLO CC(C)(C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698419 360084009 /nfs/dbraw/zinc/08/40/09/360084009.db2.gz DAFDTBJMGKCJEI-LLVKDONJSA-N 1 2 239.363 0.539 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091554994 360116887 /nfs/dbraw/zinc/11/68/87/360116887.db2.gz XTSKGYCFEQZFAG-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091554994 360116890 /nfs/dbraw/zinc/11/68/90/360116890.db2.gz XTSKGYCFEQZFAG-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@@H](NC[C@@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000091667109 360122434 /nfs/dbraw/zinc/12/24/34/360122434.db2.gz ZSEKBSUNWPONRL-GHMZBOCLSA-N 1 2 238.335 0.401 20 0 BCADLO C[C@@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000091667109 360122436 /nfs/dbraw/zinc/12/24/36/360122436.db2.gz ZSEKBSUNWPONRL-GHMZBOCLSA-N 1 2 238.335 0.401 20 0 BCADLO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)n1 ZINC000551903563 325573891 /nfs/dbraw/zinc/57/38/91/325573891.db2.gz GWPCSMHIERUDJO-RNFRBKRXSA-N 1 2 247.249 0.460 20 0 BCADLO CC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617067 360185285 /nfs/dbraw/zinc/18/52/85/360185285.db2.gz CVGQZMHPDQXZHQ-QMMMGPOBSA-N 1 2 210.281 0.720 20 0 BCADLO CC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092617067 360185290 /nfs/dbraw/zinc/18/52/90/360185290.db2.gz CVGQZMHPDQXZHQ-QMMMGPOBSA-N 1 2 210.281 0.720 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000092617592 360186929 /nfs/dbraw/zinc/18/69/29/360186929.db2.gz UOGGGFBWULJJEU-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000092617592 360186931 /nfs/dbraw/zinc/18/69/31/360186931.db2.gz UOGGGFBWULJJEU-ZETCQYMHSA-N 1 2 212.253 0.121 20 0 BCADLO C[C@H]1OCC[N@H+](Cc2cnnn2C)[C@H]1C ZINC000093417743 360241753 /nfs/dbraw/zinc/24/17/53/360241753.db2.gz GDKVSLXNIGGIEA-DTWKUNHWSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H]1OCC[N@@H+](Cc2cnnn2C)[C@H]1C ZINC000093417743 360241755 /nfs/dbraw/zinc/24/17/55/360241755.db2.gz GDKVSLXNIGGIEA-DTWKUNHWSA-N 1 2 210.281 0.424 20 0 BCADLO CC(C)(CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613021689 360289192 /nfs/dbraw/zinc/28/91/92/360289192.db2.gz SZMUUPWXHMBHLC-SECBINFHSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(NC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096643037 360351444 /nfs/dbraw/zinc/35/14/44/360351444.db2.gz DKUFOESZDBHUEC-QMMMGPOBSA-N 1 2 205.261 0.724 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613132299 360402208 /nfs/dbraw/zinc/40/22/08/360402208.db2.gz SRLSOAATOWDHHB-MRVPVSSYSA-N 1 2 235.287 0.610 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613132299 360402212 /nfs/dbraw/zinc/40/22/12/360402212.db2.gz SRLSOAATOWDHHB-MRVPVSSYSA-N 1 2 235.287 0.610 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000097998252 360387135 /nfs/dbraw/zinc/38/71/35/360387135.db2.gz KQEASPSNSTWLPX-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000097998252 360387139 /nfs/dbraw/zinc/38/71/39/360387139.db2.gz KQEASPSNSTWLPX-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO COC(=O)CCCC(=O)NCc1[nH]c[nH+]c1C ZINC000613142543 360443556 /nfs/dbraw/zinc/44/35/56/360443556.db2.gz JDXLJQSQWOKZTN-UHFFFAOYSA-N 1 2 239.275 0.678 20 0 BCADLO COC[C@@](C)(O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000309487548 491149596 /nfs/dbraw/zinc/14/95/96/491149596.db2.gz VYUGMVVQNRVFSJ-KCJUWKMLSA-N 1 2 227.308 0.766 20 0 BCADLO COC[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000060939871 360543209 /nfs/dbraw/zinc/54/32/09/360543209.db2.gz QVEKOJGZXMQYNL-VHSXEESVSA-N 1 2 240.307 0.606 20 0 BCADLO CCCCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000061035411 360549203 /nfs/dbraw/zinc/54/92/03/360549203.db2.gz ZHCSCTHNEAMKQE-UHFFFAOYSA-N 1 2 245.348 0.982 20 0 BCADLO CC(C)(C)c1cnc(C[NH+](CCO)CCO)o1 ZINC000050103326 219823339 /nfs/dbraw/zinc/82/33/39/219823339.db2.gz XRGXRPBMIIUCOQ-UHFFFAOYSA-N 1 2 242.319 0.759 20 0 BCADLO CN(CC1(C)COC1)C(=O)CCn1cc[nH+]c1 ZINC000628671887 360601327 /nfs/dbraw/zinc/60/13/27/360601327.db2.gz DABULUGQJXDGEC-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CCCO2 ZINC000628788134 360653038 /nfs/dbraw/zinc/65/30/38/360653038.db2.gz QMSBPKIWVIBUKN-UHFFFAOYSA-N 1 2 221.260 0.275 20 0 BCADLO OC[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000309504257 491150501 /nfs/dbraw/zinc/15/05/01/491150501.db2.gz MOUPYQBHPJHCGT-MRVPVSSYSA-N 1 2 221.260 0.006 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CC1(F)F ZINC000628912271 360744893 /nfs/dbraw/zinc/74/48/93/360744893.db2.gz HEMSWIPTIJSEKI-WCBMZHEXSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CC1(F)F ZINC000628912271 360744896 /nfs/dbraw/zinc/74/48/96/360744896.db2.gz HEMSWIPTIJSEKI-WCBMZHEXSA-N 1 2 248.273 0.479 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000628911946 360745003 /nfs/dbraw/zinc/74/50/03/360745003.db2.gz DMRNVDBNYXCCPW-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000628911946 360745007 /nfs/dbraw/zinc/74/50/07/360745007.db2.gz DMRNVDBNYXCCPW-ZYHUDNBSSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000628913204 360746328 /nfs/dbraw/zinc/74/63/28/360746328.db2.gz KXKZJOGXYSHJJQ-SECBINFHSA-N 1 2 241.266 0.214 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000628913204 360746333 /nfs/dbraw/zinc/74/63/33/360746333.db2.gz KXKZJOGXYSHJJQ-SECBINFHSA-N 1 2 241.266 0.214 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914321 360747375 /nfs/dbraw/zinc/74/73/75/360747375.db2.gz HZQQDXDIMCNLPE-GUBZILKMSA-N 1 2 212.293 0.089 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914321 360747380 /nfs/dbraw/zinc/74/73/80/360747380.db2.gz HZQQDXDIMCNLPE-GUBZILKMSA-N 1 2 212.293 0.089 20 0 BCADLO Cc1cccnc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916993 360748358 /nfs/dbraw/zinc/74/83/58/360748358.db2.gz HJMAZNUVHPZWPM-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cccnc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916993 360748362 /nfs/dbraw/zinc/74/83/62/360748362.db2.gz HJMAZNUVHPZWPM-LLVKDONJSA-N 1 2 249.314 0.450 20 0 BCADLO CO[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C(C)C ZINC000628914799 360748936 /nfs/dbraw/zinc/74/89/36/360748936.db2.gz MLXYHXJMIGVFSL-QWRGUYRKSA-N 1 2 244.335 0.104 20 0 BCADLO CO[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)C(C)C ZINC000628914799 360748940 /nfs/dbraw/zinc/74/89/40/360748940.db2.gz MLXYHXJMIGVFSL-QWRGUYRKSA-N 1 2 244.335 0.104 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914593 360749009 /nfs/dbraw/zinc/74/90/09/360749009.db2.gz KBWGFEJSZBGJMM-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914593 360749012 /nfs/dbraw/zinc/74/90/12/360749012.db2.gz KBWGFEJSZBGJMM-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914658 360749062 /nfs/dbraw/zinc/74/90/62/360749062.db2.gz ONVPHAFOCINSEV-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914658 360749066 /nfs/dbraw/zinc/74/90/66/360749066.db2.gz ONVPHAFOCINSEV-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO Cc1cnccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915325 360749848 /nfs/dbraw/zinc/74/98/48/360749848.db2.gz WGGUDVHXSYSRJU-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO Cc1cnccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915325 360749852 /nfs/dbraw/zinc/74/98/52/360749852.db2.gz WGGUDVHXSYSRJU-NSHDSACASA-N 1 2 249.314 0.450 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC000628916382 360750942 /nfs/dbraw/zinc/75/09/42/360750942.db2.gz HQNZPYONMVMZDN-LLVKDONJSA-N 1 2 224.304 0.399 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC000628916382 360750947 /nfs/dbraw/zinc/75/09/47/360750947.db2.gz HQNZPYONMVMZDN-LLVKDONJSA-N 1 2 224.304 0.399 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628916586 360751751 /nfs/dbraw/zinc/75/17/51/360751751.db2.gz FQFFRJWDCQROEL-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628916586 360751756 /nfs/dbraw/zinc/75/17/56/360751756.db2.gz FQFFRJWDCQROEL-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1CCC1 ZINC000628916166 360751963 /nfs/dbraw/zinc/75/19/63/360751963.db2.gz CGCIUBSERHJQBC-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1CCC1 ZINC000628916166 360751968 /nfs/dbraw/zinc/75/19/68/360751968.db2.gz CGCIUBSERHJQBC-LLVKDONJSA-N 1 2 226.320 0.623 20 0 BCADLO CCC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917777 360752521 /nfs/dbraw/zinc/75/25/21/360752521.db2.gz BNUXDIPCWZXJHC-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO CCC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917777 360752528 /nfs/dbraw/zinc/75/25/28/360752528.db2.gz BNUXDIPCWZXJHC-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CCC1 ZINC000628921018 360753558 /nfs/dbraw/zinc/75/35/58/360753558.db2.gz XUJQEMGHVAOWSQ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CCC1 ZINC000628921018 360753564 /nfs/dbraw/zinc/75/35/64/360753564.db2.gz XUJQEMGHVAOWSQ-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C)CC1 ZINC000628921111 360754101 /nfs/dbraw/zinc/75/41/01/360754101.db2.gz KEUGDPJACLUBJR-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C)CC1 ZINC000628921111 360754105 /nfs/dbraw/zinc/75/41/05/360754105.db2.gz KEUGDPJACLUBJR-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C)CC1 ZINC000628921103 360754174 /nfs/dbraw/zinc/75/41/74/360754174.db2.gz KEUGDPJACLUBJR-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C)CC1 ZINC000628921103 360754176 /nfs/dbraw/zinc/75/41/76/360754176.db2.gz KEUGDPJACLUBJR-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CCO[C@H](CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922093 360755193 /nfs/dbraw/zinc/75/51/93/360755193.db2.gz VBYCIEDTRREQTB-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922093 360755195 /nfs/dbraw/zinc/75/51/95/360755195.db2.gz VBYCIEDTRREQTB-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000628925166 360758122 /nfs/dbraw/zinc/75/81/22/360758122.db2.gz HUIFYHFIKUNXKQ-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000628925166 360758128 /nfs/dbraw/zinc/75/81/28/360758128.db2.gz HUIFYHFIKUNXKQ-RYUDHWBXSA-N 1 2 238.331 0.790 20 0 BCADLO C/C=C\CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000629034823 360822014 /nfs/dbraw/zinc/82/20/14/360822014.db2.gz YNYSSBDKRHHCED-ISALQUGTSA-N 1 2 236.319 0.715 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629122781 360888878 /nfs/dbraw/zinc/88/88/78/360888878.db2.gz FMSLAKHHKKZGQE-MNOVXSKESA-N 1 2 235.287 0.567 20 0 BCADLO O=C(NC[C@H]1C[C@@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000629071775 360860217 /nfs/dbraw/zinc/86/02/17/360860217.db2.gz VRBXZMKGFDOKOV-JGZJWPJOSA-N 1 2 245.282 0.835 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629142777 360900352 /nfs/dbraw/zinc/90/03/52/360900352.db2.gz HPXBVQWMOCYCJK-CMPLNLGQSA-N 1 2 249.314 0.646 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631208447 361060681 /nfs/dbraw/zinc/06/06/81/361060681.db2.gz YVXVUBMRPKIMCF-BBBLOLIVSA-N 1 2 237.303 0.882 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640473440 361242599 /nfs/dbraw/zinc/24/25/99/361242599.db2.gz IEDBHAMCMOKCMT-GMSGAONNSA-N 1 2 209.249 0.199 20 0 BCADLO CCc1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640473440 361242606 /nfs/dbraw/zinc/24/26/06/361242606.db2.gz IEDBHAMCMOKCMT-GMSGAONNSA-N 1 2 209.249 0.199 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000640474023 361243817 /nfs/dbraw/zinc/24/38/17/361243817.db2.gz NPBKHIVVKMMHSH-UFBFGSQYSA-N 1 2 247.254 0.896 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000640474023 361243820 /nfs/dbraw/zinc/24/38/20/361243820.db2.gz NPBKHIVVKMMHSH-UFBFGSQYSA-N 1 2 247.254 0.896 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640480753 361263447 /nfs/dbraw/zinc/26/34/47/361263447.db2.gz IJCTXRDWQNXJSM-CBAPKCEASA-N 1 2 211.290 0.413 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640480753 361263452 /nfs/dbraw/zinc/26/34/52/361263452.db2.gz IJCTXRDWQNXJSM-CBAPKCEASA-N 1 2 211.290 0.413 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640486738 361272981 /nfs/dbraw/zinc/27/29/81/361272981.db2.gz NFJCSRGIVNDREV-PRHODGIISA-N 1 2 236.319 0.669 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640486738 361272984 /nfs/dbraw/zinc/27/29/84/361272984.db2.gz NFJCSRGIVNDREV-PRHODGIISA-N 1 2 236.319 0.669 20 0 BCADLO Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000428294860 201005747 /nfs/dbraw/zinc/00/57/47/201005747.db2.gz NUMJJZJOONIASG-ONGXEEELSA-N 1 2 234.303 0.666 20 0 BCADLO Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000428294860 201005748 /nfs/dbraw/zinc/00/57/48/201005748.db2.gz NUMJJZJOONIASG-ONGXEEELSA-N 1 2 234.303 0.666 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC[C@H]2O)[nH]1 ZINC000428293671 201006109 /nfs/dbraw/zinc/00/61/09/201006109.db2.gz CHTRGFIHKBONSV-NXEZZACHSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)[nH]1 ZINC000428293671 201006111 /nfs/dbraw/zinc/00/61/11/201006111.db2.gz CHTRGFIHKBONSV-NXEZZACHSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ncn1 ZINC000428288319 201006603 /nfs/dbraw/zinc/00/66/03/201006603.db2.gz QXFHVUZQDJMDNI-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ncn1 ZINC000428288319 201006604 /nfs/dbraw/zinc/00/66/04/201006604.db2.gz QXFHVUZQDJMDNI-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000428317407 201006831 /nfs/dbraw/zinc/00/68/31/201006831.db2.gz GWBFQBQWDIOCRS-UHFFFAOYSA-N 1 2 222.292 0.726 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000428317407 201006834 /nfs/dbraw/zinc/00/68/34/201006834.db2.gz GWBFQBQWDIOCRS-UHFFFAOYSA-N 1 2 222.292 0.726 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](O)CCC(C)C)[C@H](C)O ZINC000579122093 366716418 /nfs/dbraw/zinc/71/64/18/366716418.db2.gz NPUCNYYLPBPAKH-HBNTYKKESA-N 1 2 247.335 0.296 20 0 BCADLO CC[C@@](C)([NH2+]CCN1CCOCC1)C(=O)OC ZINC000428298330 201007795 /nfs/dbraw/zinc/00/77/95/201007795.db2.gz FMOLOSYJUPAEQR-GFCCVEGCSA-N 1 2 244.335 0.250 20 0 BCADLO CCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000579018486 366696742 /nfs/dbraw/zinc/69/67/42/366696742.db2.gz FHEFBIUGZVKJGX-SNVBAGLBSA-N 1 2 237.303 0.818 20 0 BCADLO CN1C[C@H]([N@H+](C)Cc2ncccn2)CCC1=O ZINC000579241716 366744017 /nfs/dbraw/zinc/74/40/17/366744017.db2.gz IBCVMESFPNRGIG-SNVBAGLBSA-N 1 2 234.303 0.529 20 0 BCADLO CN1C[C@H]([N@@H+](C)Cc2ncccn2)CCC1=O ZINC000579241716 366744021 /nfs/dbraw/zinc/74/40/21/366744021.db2.gz IBCVMESFPNRGIG-SNVBAGLBSA-N 1 2 234.303 0.529 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H](CO)CC(C)C)[nH]1 ZINC000428442810 201018331 /nfs/dbraw/zinc/01/83/31/201018331.db2.gz OHRYRUWQHMPEGR-JTQLQIEISA-N 1 2 226.324 0.952 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H](CO)CC(C)C)[nH]1 ZINC000428442810 201018334 /nfs/dbraw/zinc/01/83/34/201018334.db2.gz OHRYRUWQHMPEGR-JTQLQIEISA-N 1 2 226.324 0.952 20 0 BCADLO Cc1nnc(C[N@H+](CCO)CC2CC2)[nH]1 ZINC000428473981 201022301 /nfs/dbraw/zinc/02/23/01/201022301.db2.gz PGDMLVSHHBHINY-UHFFFAOYSA-N 1 2 210.281 0.317 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)CC2CC2)[nH]1 ZINC000428473981 201022303 /nfs/dbraw/zinc/02/23/03/201022303.db2.gz PGDMLVSHHBHINY-UHFFFAOYSA-N 1 2 210.281 0.317 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ncn1 ZINC000428494727 201025839 /nfs/dbraw/zinc/02/58/39/201025839.db2.gz ONADXBBGVUKFBE-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ncn1 ZINC000428494727 201025841 /nfs/dbraw/zinc/02/58/41/201025841.db2.gz ONADXBBGVUKFBE-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC000428307386 201008362 /nfs/dbraw/zinc/00/83/62/201008362.db2.gz UKHDGMATGCAZSQ-IUCAKERBSA-N 1 2 223.324 0.638 20 0 BCADLO Cc1nc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC000428307386 201008364 /nfs/dbraw/zinc/00/83/64/201008364.db2.gz UKHDGMATGCAZSQ-IUCAKERBSA-N 1 2 223.324 0.638 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnccc1C ZINC000428937561 201048812 /nfs/dbraw/zinc/04/88/12/201048812.db2.gz FPRNGMOPKODFNA-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000428937561 201048814 /nfs/dbraw/zinc/04/88/14/201048814.db2.gz FPRNGMOPKODFNA-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000428942272 201050564 /nfs/dbraw/zinc/05/05/64/201050564.db2.gz YRQNQRUXPTYXIU-VIFPVBQESA-N 1 2 223.324 0.639 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000428942272 201050566 /nfs/dbraw/zinc/05/05/66/201050566.db2.gz YRQNQRUXPTYXIU-VIFPVBQESA-N 1 2 223.324 0.639 20 0 BCADLO COC(=O)C[C@@]1([NH2+]Cc2cocn2)CCOC1 ZINC000428848217 201044477 /nfs/dbraw/zinc/04/44/77/201044477.db2.gz DMJDTGRWUNZGFD-NSHDSACASA-N 1 2 240.259 0.486 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429116489 201069191 /nfs/dbraw/zinc/06/91/91/201069191.db2.gz RHJOLRNNZWAOGK-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429116489 201069195 /nfs/dbraw/zinc/06/91/95/201069195.db2.gz RHJOLRNNZWAOGK-ONGXEEELSA-N 1 2 238.335 0.952 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614278142 363769188 /nfs/dbraw/zinc/76/91/88/363769188.db2.gz ZFXNZXBGNSZFGU-SNVBAGLBSA-N 1 2 249.270 0.934 20 0 BCADLO C[N@@H+]1CC[C@@]2(CCN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000429006602 201058129 /nfs/dbraw/zinc/05/81/29/201058129.db2.gz ILOSTTZWDLQKTH-LLVKDONJSA-N 1 2 237.307 0.038 20 0 BCADLO C[N@H+]1CC[C@@]2(CCN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000429006602 201058132 /nfs/dbraw/zinc/05/81/32/201058132.db2.gz ILOSTTZWDLQKTH-LLVKDONJSA-N 1 2 237.307 0.038 20 0 BCADLO Cn1nccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170019773 361377258 /nfs/dbraw/zinc/37/72/58/361377258.db2.gz PZGXMCYZRIKRDI-SECBINFHSA-N 1 2 245.286 0.818 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000429259725 201084750 /nfs/dbraw/zinc/08/47/50/201084750.db2.gz VCKGNADRQJAOJS-UHFFFAOYSA-N 1 2 214.269 0.367 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000429259725 201084753 /nfs/dbraw/zinc/08/47/53/201084753.db2.gz VCKGNADRQJAOJS-UHFFFAOYSA-N 1 2 214.269 0.367 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOC2(CCC2)C1 ZINC000579272412 366753307 /nfs/dbraw/zinc/75/33/07/366753307.db2.gz LIOPGVYMNFQXFY-UHFFFAOYSA-N 1 2 249.314 0.744 20 0 BCADLO CC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000579365231 366771231 /nfs/dbraw/zinc/77/12/31/366771231.db2.gz SHGCLYHRQAJBRS-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO Cc1nnc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1C ZINC000579371668 366772963 /nfs/dbraw/zinc/77/29/63/366772963.db2.gz ULPPDRGJYVAWFL-SSDOTTSWSA-N 1 2 248.290 0.664 20 0 BCADLO Cc1nnc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1C ZINC000579371668 366772967 /nfs/dbraw/zinc/77/29/67/366772967.db2.gz ULPPDRGJYVAWFL-SSDOTTSWSA-N 1 2 248.290 0.664 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCCN(C(N)=O)CC1 ZINC000579413942 366778120 /nfs/dbraw/zinc/77/81/20/366778120.db2.gz BSEKTDNBVMBCCI-UHFFFAOYSA-N 1 2 249.318 0.684 20 0 BCADLO Cn1ccc(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000429319989 201102181 /nfs/dbraw/zinc/10/21/81/201102181.db2.gz UQNJTTCFUGXQTE-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1ccc(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000429319989 201102182 /nfs/dbraw/zinc/10/21/82/201102182.db2.gz UQNJTTCFUGXQTE-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO C[C@H]1CCN(Cc2[nH]cc[nH+]2)CC[S@@]1=O ZINC000429557855 201114495 /nfs/dbraw/zinc/11/44/95/201114495.db2.gz IBXWPQQDGIBSIY-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO COCCOCC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429560101 201115105 /nfs/dbraw/zinc/11/51/05/201115105.db2.gz MXCLRRIVVRGOAZ-ZBEGNZNMSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429560101 201115108 /nfs/dbraw/zinc/11/51/08/201115108.db2.gz MXCLRRIVVRGOAZ-ZBEGNZNMSA-N 1 2 249.376 0.492 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429557121 201115545 /nfs/dbraw/zinc/11/55/45/201115545.db2.gz GJMXPTALPNLPNT-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429557121 201115548 /nfs/dbraw/zinc/11/55/48/201115548.db2.gz GJMXPTALPNLPNT-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO Cc1nc(N(C)C)nc(NCC[C@H](C)O)[nH+]1 ZINC000309897921 491157907 /nfs/dbraw/zinc/15/79/07/491157907.db2.gz GPPAJECKLRFDPV-ZETCQYMHSA-N 1 2 225.296 0.429 20 0 BCADLO Cc1nc(NCC[C@H](C)O)nc(N(C)C)[nH+]1 ZINC000309897921 491157908 /nfs/dbraw/zinc/15/79/08/491157908.db2.gz GPPAJECKLRFDPV-ZETCQYMHSA-N 1 2 225.296 0.429 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)CC[S@]1=O ZINC000429570049 201119519 /nfs/dbraw/zinc/11/95/19/201119519.db2.gz AFUBZBLXWYNGBR-KCWFYHRYSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)CC[S@]1=O ZINC000429570049 201119523 /nfs/dbraw/zinc/11/95/23/201119523.db2.gz AFUBZBLXWYNGBR-KCWFYHRYSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433191644 201166899 /nfs/dbraw/zinc/16/68/99/201166899.db2.gz WBQRWXWYOKPJFM-MRVPVSSYSA-N 1 2 226.324 0.915 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433191644 201166900 /nfs/dbraw/zinc/16/69/00/201166900.db2.gz WBQRWXWYOKPJFM-MRVPVSSYSA-N 1 2 226.324 0.915 20 0 BCADLO CS[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000448545771 201197273 /nfs/dbraw/zinc/19/72/73/201197273.db2.gz LQONOOAGSJZTEK-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO CS[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000448545771 201197276 /nfs/dbraw/zinc/19/72/76/201197276.db2.gz LQONOOAGSJZTEK-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO CS[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000448545675 201197983 /nfs/dbraw/zinc/19/79/83/201197983.db2.gz JBJFVSYVMHQGGN-SECBINFHSA-N 1 2 239.348 0.945 20 0 BCADLO CS[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000448545675 201197986 /nfs/dbraw/zinc/19/79/86/201197986.db2.gz JBJFVSYVMHQGGN-SECBINFHSA-N 1 2 239.348 0.945 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1=CCC1 ZINC000433743636 201191455 /nfs/dbraw/zinc/19/14/55/201191455.db2.gz CCVBBNCJVPTCHC-UHFFFAOYSA-N 1 2 236.315 0.688 20 0 BCADLO CNC(=O)CCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433793657 201194433 /nfs/dbraw/zinc/19/44/33/201194433.db2.gz OKZSKFMMCUAMPF-UHFFFAOYSA-N 1 2 247.302 0.839 20 0 BCADLO C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1O ZINC000433767967 201194867 /nfs/dbraw/zinc/19/48/67/201194867.db2.gz ZTNNKQAOXMYYKV-WDEREUQCSA-N 1 2 248.330 0.894 20 0 BCADLO C[C@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H]1O ZINC000433767967 201194869 /nfs/dbraw/zinc/19/48/69/201194869.db2.gz ZTNNKQAOXMYYKV-WDEREUQCSA-N 1 2 248.330 0.894 20 0 BCADLO C[C@@H]1OCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000434482078 201222636 /nfs/dbraw/zinc/22/26/36/201222636.db2.gz RFBQGFCLXRIPCL-DCAQKATOSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@@H]1OCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000434482078 201222639 /nfs/dbraw/zinc/22/26/39/201222639.db2.gz RFBQGFCLXRIPCL-DCAQKATOSA-N 1 2 247.360 0.530 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCSC(C)(C)C1 ZINC000434904843 201245782 /nfs/dbraw/zinc/24/57/82/201245782.db2.gz OZISEQHDZLKZMA-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO Cn1nnnc1C[N@H+]1CCSC(C)(C)C1 ZINC000434904843 201245786 /nfs/dbraw/zinc/24/57/86/201245786.db2.gz OZISEQHDZLKZMA-UHFFFAOYSA-N 1 2 227.337 0.538 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000434623722 201229963 /nfs/dbraw/zinc/22/99/63/201229963.db2.gz MTEAPYOFZWITFO-VIFPVBQESA-N 1 2 228.296 0.024 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000434623722 201229964 /nfs/dbraw/zinc/22/99/64/201229964.db2.gz MTEAPYOFZWITFO-VIFPVBQESA-N 1 2 228.296 0.024 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000629691754 361619347 /nfs/dbraw/zinc/61/93/47/361619347.db2.gz ZIZHCPFFNGSDKW-FXPVBKGRSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000629691754 361619351 /nfs/dbraw/zinc/61/93/51/361619351.db2.gz ZIZHCPFFNGSDKW-FXPVBKGRSA-N 1 2 237.303 0.882 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000629689480 361623312 /nfs/dbraw/zinc/62/33/12/361623312.db2.gz FUEOVPUZPCJAGH-NHCYSSNCSA-N 1 2 249.314 0.739 20 0 BCADLO CNc1[nH+]cnc2c1cnn2CC1(C)COC1 ZINC000435788364 201287373 /nfs/dbraw/zinc/28/73/73/201287373.db2.gz SNGAPPJHXXKSJT-UHFFFAOYSA-N 1 2 233.275 0.905 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000435958455 201303718 /nfs/dbraw/zinc/30/37/18/201303718.db2.gz MDHPLCMWSQNAKG-QJPTWQEYSA-N 1 2 238.331 0.622 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000435958455 201303721 /nfs/dbraw/zinc/30/37/21/201303721.db2.gz MDHPLCMWSQNAKG-QJPTWQEYSA-N 1 2 238.331 0.622 20 0 BCADLO CC1=CC[N@H+](Cc2nnc3n2CCOC3)CC1 ZINC000436120067 201309759 /nfs/dbraw/zinc/30/97/59/201309759.db2.gz DPBKVDHHWSWTLP-UHFFFAOYSA-N 1 2 234.303 0.960 20 0 BCADLO CC1=CC[N@@H+](Cc2nnc3n2CCOC3)CC1 ZINC000436120067 201309761 /nfs/dbraw/zinc/30/97/61/201309761.db2.gz DPBKVDHHWSWTLP-UHFFFAOYSA-N 1 2 234.303 0.960 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629767743 361691866 /nfs/dbraw/zinc/69/18/66/361691866.db2.gz PTSNKUIPTXULRK-UFGOTCBOSA-N 1 2 249.314 0.714 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629767743 361691869 /nfs/dbraw/zinc/69/18/69/361691869.db2.gz PTSNKUIPTXULRK-UFGOTCBOSA-N 1 2 249.314 0.714 20 0 BCADLO CSC[C@H](O)CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000436481492 201328706 /nfs/dbraw/zinc/32/87/06/201328706.db2.gz BFILQLNMNKUJKQ-VXGBXAGGSA-N 1 2 246.420 0.982 20 0 BCADLO CSC[C@H](O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000436481492 201328709 /nfs/dbraw/zinc/32/87/09/201328709.db2.gz BFILQLNMNKUJKQ-VXGBXAGGSA-N 1 2 246.420 0.982 20 0 BCADLO O=C(NCCF)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000437784039 201373742 /nfs/dbraw/zinc/37/37/42/201373742.db2.gz JPUVDMXBGCIDRJ-MRVPVSSYSA-N 1 2 226.255 0.467 20 0 BCADLO CC1(C)COCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000614430691 363815382 /nfs/dbraw/zinc/81/53/82/363815382.db2.gz JXXAQTKHPQQHAW-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO CC1(C)COCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000614430691 363815388 /nfs/dbraw/zinc/81/53/88/363815388.db2.gz JXXAQTKHPQQHAW-UHFFFAOYSA-N 1 2 223.276 0.937 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619076080 363903770 /nfs/dbraw/zinc/90/37/70/363903770.db2.gz UGWZDWHQNQSXMJ-WDEREUQCSA-N 1 2 249.314 0.382 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCN1 ZINC000614736056 363946145 /nfs/dbraw/zinc/94/61/45/363946145.db2.gz CQALUTMGEFBAPZ-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCCCN1 ZINC000614735977 363946200 /nfs/dbraw/zinc/94/62/00/363946200.db2.gz BNFIDVRQVNRWSF-UHFFFAOYSA-N 1 2 208.265 0.090 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCOC1 ZINC000614658775 363917566 /nfs/dbraw/zinc/91/75/66/363917566.db2.gz YDINNDYWKQDJQW-JTQLQIEISA-N 1 2 235.287 0.652 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ncc[nH]1 ZINC000614701100 363930962 /nfs/dbraw/zinc/93/09/62/363930962.db2.gz RGRZCVCIVBFUDL-MRVPVSSYSA-N 1 2 231.259 0.351 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H](O)C1CC1 ZINC000614702919 363933033 /nfs/dbraw/zinc/93/30/33/363933033.db2.gz LYGVXQUMTBVDPD-KOLCDFICSA-N 1 2 235.287 0.085 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619080616 363952583 /nfs/dbraw/zinc/95/25/83/363952583.db2.gz FVIXHJPKUAMZBQ-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1(CO)CC1 ZINC000614765448 363953640 /nfs/dbraw/zinc/95/36/40/363953640.db2.gz FEFCHGDBFFBJBC-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO C[C@@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614885564 364032978 /nfs/dbraw/zinc/03/29/78/364032978.db2.gz LBLIEKCWNGSHJH-DJLDLDEBSA-N 1 2 225.267 0.998 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614898671 364042734 /nfs/dbraw/zinc/04/27/34/364042734.db2.gz DGPBXURVTKJJSR-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614898671 364042740 /nfs/dbraw/zinc/04/27/40/364042740.db2.gz DGPBXURVTKJJSR-ZJUUUORDSA-N 1 2 249.314 0.810 20 0 BCADLO COCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409136 364141694 /nfs/dbraw/zinc/14/16/94/364141694.db2.gz DVEJXWBCTOIHGJ-UHFFFAOYSA-N 1 2 212.253 0.198 20 0 BCADLO COc1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000630389708 364107576 /nfs/dbraw/zinc/10/75/76/364107576.db2.gz ZQGCWCWKGLRUJO-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO O=C(N1CCCC1)C1([NH+]2CCOCC2)CC1 ZINC000630393261 364114320 /nfs/dbraw/zinc/11/43/20/364114320.db2.gz JZODZNWDARONQB-UHFFFAOYSA-N 1 2 224.304 0.474 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncn(C)n1 ZINC000622083388 370699734 /nfs/dbraw/zinc/69/97/34/370699734.db2.gz CNEMDBLGPPOIHX-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO CCOC(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000630413864 364149222 /nfs/dbraw/zinc/14/92/22/364149222.db2.gz RAUOOBSFOLYAGQ-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CC[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC000622133859 370726943 /nfs/dbraw/zinc/72/69/43/370726943.db2.gz MWUURGFPYJLITQ-SCZZXKLOSA-N 1 2 225.292 0.775 20 0 BCADLO CC[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H](C)O ZINC000622133859 370726947 /nfs/dbraw/zinc/72/69/47/370726947.db2.gz MWUURGFPYJLITQ-SCZZXKLOSA-N 1 2 225.292 0.775 20 0 BCADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C1CC1 ZINC000630589105 364297239 /nfs/dbraw/zinc/29/72/39/364297239.db2.gz DUYHUDRTCJCSFA-JTQLQIEISA-N 1 2 236.319 0.909 20 0 BCADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C1CC1 ZINC000630589105 364297246 /nfs/dbraw/zinc/29/72/46/364297246.db2.gz DUYHUDRTCJCSFA-JTQLQIEISA-N 1 2 236.319 0.909 20 0 BCADLO CC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329917068 541354074 /nfs/dbraw/zinc/35/40/74/541354074.db2.gz FATLNXFXHCDUPO-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329917068 541354078 /nfs/dbraw/zinc/35/40/78/541354078.db2.gz FATLNXFXHCDUPO-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N(C)[C@H](C)C1 ZINC000579495286 366833795 /nfs/dbraw/zinc/83/37/95/366833795.db2.gz VQMPPWMZUQNELR-SECBINFHSA-N 1 2 234.303 0.760 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000134583431 541358524 /nfs/dbraw/zinc/35/85/24/541358524.db2.gz AUBUZGKVGYNWSX-BQBZGAKWSA-N 1 2 210.281 0.633 20 0 BCADLO CCc1cc(NCc2nn[nH]n2)nc(C)[nH+]1 ZINC000084082046 541359193 /nfs/dbraw/zinc/35/91/93/541359193.db2.gz OQNCAQWJKFYHMF-UHFFFAOYSA-N 1 2 219.252 0.473 20 0 BCADLO CCSCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000135020644 364424082 /nfs/dbraw/zinc/42/40/82/364424082.db2.gz LCZQOWYRZLEPOY-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CCSCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000135020644 364424086 /nfs/dbraw/zinc/42/40/86/364424086.db2.gz LCZQOWYRZLEPOY-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCC[C@H]2C(N)=O)[nH+]1 ZINC000080944889 364509920 /nfs/dbraw/zinc/50/99/20/364509920.db2.gz DKTCIOYCIUFSDZ-VIFPVBQESA-N 1 2 245.286 0.720 20 0 BCADLO Cc1oncc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000181737220 366844239 /nfs/dbraw/zinc/84/42/39/366844239.db2.gz YCGOXPOEIBCQOO-SNVBAGLBSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1oncc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000181737220 366844244 /nfs/dbraw/zinc/84/42/44/366844244.db2.gz YCGOXPOEIBCQOO-SNVBAGLBSA-N 1 2 236.275 0.192 20 0 BCADLO Cc1oc(C(=O)NCCn2cc[nH+]c2)cc1CO ZINC000630734762 364525856 /nfs/dbraw/zinc/52/58/56/364525856.db2.gz ILHPLIBPGBCJLS-UHFFFAOYSA-N 1 2 249.270 0.707 20 0 BCADLO C[C@@H](NC(=O)[C@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000615159357 364550987 /nfs/dbraw/zinc/55/09/87/364550987.db2.gz ZRMSRGDETAZMJT-VXNVDRBHSA-N 1 2 223.276 0.748 20 0 BCADLO Cc1nocc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000630840019 364589713 /nfs/dbraw/zinc/58/97/13/364589713.db2.gz OJWQMNFJLYUWAF-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO CC[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000037760603 364602871 /nfs/dbraw/zinc/60/28/71/364602871.db2.gz AOMAFACRSSSDDO-UHFFFAOYSA-N 1 2 235.287 0.565 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000615363914 364736089 /nfs/dbraw/zinc/73/60/89/364736089.db2.gz SMMNSIKGENTTFB-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000615363914 364736095 /nfs/dbraw/zinc/73/60/95/364736095.db2.gz SMMNSIKGENTTFB-VHSXEESVSA-N 1 2 249.314 0.762 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000333012780 364767677 /nfs/dbraw/zinc/76/76/77/364767677.db2.gz PBNFKYBXILHXDF-QWRGUYRKSA-N 1 2 249.314 0.741 20 0 BCADLO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)OC ZINC000573566447 364863026 /nfs/dbraw/zinc/86/30/26/364863026.db2.gz BBCFOXNGIIKZOL-BDAKNGLRSA-N 1 2 203.282 0.546 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nc(C2CCC2)n[nH]1 ZINC000573411828 364824975 /nfs/dbraw/zinc/82/49/75/364824975.db2.gz VPCLCIPGOLKVLO-UHFFFAOYSA-N 1 2 246.274 0.907 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nnc(C2CCC2)[nH]1 ZINC000573411828 364824985 /nfs/dbraw/zinc/82/49/85/364824985.db2.gz VPCLCIPGOLKVLO-UHFFFAOYSA-N 1 2 246.274 0.907 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000573449302 364836400 /nfs/dbraw/zinc/83/64/00/364836400.db2.gz RFCBSRHGQRLVAS-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1ccco1 ZINC000573591386 364869760 /nfs/dbraw/zinc/86/97/60/364869760.db2.gz KBMOCAYCUAUGPE-UHFFFAOYSA-N 1 2 233.271 0.915 20 0 BCADLO Cc1cccnc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000573575601 364866107 /nfs/dbraw/zinc/86/61/07/364866107.db2.gz HETXBAKZGRVEAA-LBPRGKRZSA-N 1 2 235.287 0.124 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573796070 364915963 /nfs/dbraw/zinc/91/59/63/364915963.db2.gz FAUIHPFHHQHFFT-ILWJIGKKSA-N 1 2 219.288 0.877 20 0 BCADLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CO ZINC000573829534 364926020 /nfs/dbraw/zinc/92/60/20/364926020.db2.gz CBQIYZJKAXUKGE-QWRGUYRKSA-N 1 2 237.303 0.503 20 0 BCADLO COc1ccc(CN(C)Cc2[nH+]ccn2C)nn1 ZINC000283278396 541406833 /nfs/dbraw/zinc/40/68/33/541406833.db2.gz WZRSBXYFSDUOAK-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO O=C(NCCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573923555 364946708 /nfs/dbraw/zinc/94/67/08/364946708.db2.gz LVVHHODYGHZJCH-SECBINFHSA-N 1 2 225.267 0.921 20 0 BCADLO CO[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573927339 364948066 /nfs/dbraw/zinc/94/80/66/364948066.db2.gz OKWQMCGEJDBOEW-UWVGGRQHSA-N 1 2 225.292 0.985 20 0 BCADLO CNC(=O)N[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000573933163 364948608 /nfs/dbraw/zinc/94/86/08/364948608.db2.gz BRTRXYFTMFJKFF-JTQLQIEISA-N 1 2 249.318 0.601 20 0 BCADLO [NH3+][C@H](C(=O)NC[C@@H]1CCCO1)c1cscn1 ZINC000573913007 364942356 /nfs/dbraw/zinc/94/23/56/364942356.db2.gz KAKCKTSJBAGMEA-CBAPKCEASA-N 1 2 241.316 0.438 20 0 BCADLO CCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574098334 364987754 /nfs/dbraw/zinc/98/77/54/364987754.db2.gz MUIIIHGLKFLKPO-VIFPVBQESA-N 1 2 225.292 0.429 20 0 BCADLO CCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574098334 364987758 /nfs/dbraw/zinc/98/77/58/364987758.db2.gz MUIIIHGLKFLKPO-VIFPVBQESA-N 1 2 225.292 0.429 20 0 BCADLO CCc1nn(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000092197335 325699938 /nfs/dbraw/zinc/69/99/38/325699938.db2.gz ASXPFXSHEIGYJE-UHFFFAOYSA-N 1 2 236.319 0.370 20 0 BCADLO C[C@H](CC(=O)NCC1(C)COC1)n1cc[nH+]c1 ZINC000574403904 365055199 /nfs/dbraw/zinc/05/51/99/365055199.db2.gz INYFIXFEFIMYAF-SNVBAGLBSA-N 1 2 237.303 0.987 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000574753548 365135524 /nfs/dbraw/zinc/13/55/24/365135524.db2.gz YZVHBPNQXXFBJB-JTQLQIEISA-N 1 2 241.335 0.605 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000574753548 365135534 /nfs/dbraw/zinc/13/55/34/365135534.db2.gz YZVHBPNQXXFBJB-JTQLQIEISA-N 1 2 241.335 0.605 20 0 BCADLO C[C@H](O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000574631652 365105995 /nfs/dbraw/zinc/10/59/95/365105995.db2.gz QJKMLPQUUVTVDT-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO C[C@H](O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000574631652 365106004 /nfs/dbraw/zinc/10/60/04/365106004.db2.gz QJKMLPQUUVTVDT-VIFPVBQESA-N 1 2 224.308 0.427 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC(F)(F)C1 ZINC000574833795 365157256 /nfs/dbraw/zinc/15/72/56/365157256.db2.gz RKNAOKNFBDKFPQ-UHFFFAOYSA-N 1 2 229.230 0.830 20 0 BCADLO COCCOC1CN(c2cc(C)[nH+]cn2)C1 ZINC000444078529 193034143 /nfs/dbraw/zinc/03/41/43/193034143.db2.gz DMSHMXPNBVLMJG-UHFFFAOYSA-N 1 2 223.276 0.637 20 0 BCADLO Cn1cnc(C[NH2+]C[C@@H](O)Cc2ccccc2)n1 ZINC000575174718 365228496 /nfs/dbraw/zinc/22/84/96/365228496.db2.gz PWYOJDFXUYXFJJ-LBPRGKRZSA-N 1 2 246.314 0.508 20 0 BCADLO CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000171574931 365218473 /nfs/dbraw/zinc/21/84/73/365218473.db2.gz NZBVKRCDWSIVPX-VHSXEESVSA-N 1 2 229.324 0.415 20 0 BCADLO CC[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000622274505 370815342 /nfs/dbraw/zinc/81/53/42/370815342.db2.gz NCOAMDUHWTUQKV-SNVBAGLBSA-N 1 2 225.292 0.550 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)CC(=O)OCC ZINC000444596553 193052512 /nfs/dbraw/zinc/05/25/12/193052512.db2.gz LIWCOZSOFYOTIC-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC000444596553 193052515 /nfs/dbraw/zinc/05/25/15/193052515.db2.gz LIWCOZSOFYOTIC-JTQLQIEISA-N 1 2 233.308 0.269 20 0 BCADLO CC[N@@H+](Cc1nncn1C)C[C@@H]1CCCO1 ZINC000172171956 365298711 /nfs/dbraw/zinc/29/87/11/365298711.db2.gz GXLAUONUKYMMFU-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1nncn1C)C[C@@H]1CCCO1 ZINC000172171956 365298717 /nfs/dbraw/zinc/29/87/17/365298717.db2.gz GXLAUONUKYMMFU-JTQLQIEISA-N 1 2 224.308 0.816 20 0 BCADLO Cc1oncc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000575448029 365323114 /nfs/dbraw/zinc/32/31/14/365323114.db2.gz QNWJMFQTFVNFQT-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1oncc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000575448029 365323117 /nfs/dbraw/zinc/32/31/17/365323117.db2.gz QNWJMFQTFVNFQT-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CC(=O)N1CC[N@@H+](CC(=O)N(C)C)C(C)(C)C1 ZINC000182186111 366872785 /nfs/dbraw/zinc/87/27/85/366872785.db2.gz ADCJYTFZPOHPQL-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CC(=O)N1CC[N@H+](CC(=O)N(C)C)C(C)(C)C1 ZINC000182186111 366872791 /nfs/dbraw/zinc/87/27/91/366872791.db2.gz ADCJYTFZPOHPQL-UHFFFAOYSA-N 1 2 241.335 0.017 20 0 BCADLO CC(=O)N(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575928911 365418936 /nfs/dbraw/zinc/41/89/36/365418936.db2.gz DHYPGWJPEGXEAI-UHFFFAOYSA-N 1 2 238.291 0.239 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1Cc2cccnc2C1 ZINC000579585007 366891613 /nfs/dbraw/zinc/89/16/13/366891613.db2.gz VOGWATDFSJBVBI-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1Cc2cccnc2C1 ZINC000579585007 366891621 /nfs/dbraw/zinc/89/16/21/366891621.db2.gz VOGWATDFSJBVBI-NSHDSACASA-N 1 2 217.272 0.676 20 0 BCADLO O=S(=O)(NCC[NH+]1CCC1)c1cscn1 ZINC000579588014 366893035 /nfs/dbraw/zinc/89/30/35/366893035.db2.gz RMLRLMBCEXTLLC-UHFFFAOYSA-N 1 2 247.345 0.127 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174531639 365495935 /nfs/dbraw/zinc/49/59/35/365495935.db2.gz YCFDXNVXGDOKGT-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174531639 365495938 /nfs/dbraw/zinc/49/59/38/365495938.db2.gz YCFDXNVXGDOKGT-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO Cc1ncc(C(=O)NCCn2cc[nH+]c2)c(C)n1 ZINC000182473781 366907512 /nfs/dbraw/zinc/90/75/12/366907512.db2.gz RYPNLFLHHAPSEG-UHFFFAOYSA-N 1 2 245.286 0.720 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCNC1=O)c1nnc2ccccn21 ZINC000182670944 366929007 /nfs/dbraw/zinc/92/90/07/366929007.db2.gz WTPMDWQSUNSAOR-DTWKUNHWSA-N 1 2 245.286 0.268 20 0 BCADLO Cc1c[nH]c(NC(=O)Cn2cc[nH+]c2)n1 ZINC000564645225 325800852 /nfs/dbraw/zinc/80/08/52/325800852.db2.gz KFJASFIVRWQZSH-UHFFFAOYSA-N 1 2 205.221 0.553 20 0 BCADLO CN(CCCCCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000357532381 541489088 /nfs/dbraw/zinc/48/90/88/541489088.db2.gz YXJRNLNRRSJHDC-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO CN(CCCCCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000357532381 541489096 /nfs/dbraw/zinc/48/90/96/541489096.db2.gz YXJRNLNRRSJHDC-UHFFFAOYSA-N 1 2 239.319 0.963 20 0 BCADLO FC[C@H]1C[N@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000579684522 366977275 /nfs/dbraw/zinc/97/72/75/366977275.db2.gz WZRRFPZZKNLYNF-NEPJUHHUSA-N 1 2 247.310 0.852 20 0 BCADLO FC[C@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000579684522 366977279 /nfs/dbraw/zinc/97/72/79/366977279.db2.gz WZRRFPZZKNLYNF-NEPJUHHUSA-N 1 2 247.310 0.852 20 0 BCADLO Cn1nnc(C[NH2+][C@H](CO)C2CCCCC2)n1 ZINC000386073718 541516702 /nfs/dbraw/zinc/51/67/02/541516702.db2.gz DBQAQWIZLFOHHI-SNVBAGLBSA-N 1 2 239.323 0.241 20 0 BCADLO C[C@@H](C[S@](C)=O)N(C)Cc1[nH+]ccn1C ZINC000185126679 367119700 /nfs/dbraw/zinc/11/97/00/367119700.db2.gz MRASLDKFYXVEFY-VFZGTOFNSA-N 1 2 229.349 0.619 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579964316 367106258 /nfs/dbraw/zinc/10/62/58/367106258.db2.gz CCFXRBLFHJKCFF-BDAKNGLRSA-N 1 2 239.275 0.512 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C1CC1 ZINC000579970454 367108144 /nfs/dbraw/zinc/10/81/44/367108144.db2.gz FDJHEJBLKWALCE-LDYMZIIASA-N 1 2 237.303 0.475 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C1CC1 ZINC000579970454 367108147 /nfs/dbraw/zinc/10/81/47/367108147.db2.gz FDJHEJBLKWALCE-LDYMZIIASA-N 1 2 237.303 0.475 20 0 BCADLO Cc1cn(C)nc1C(=O)NCCn1cc[nH+]c1 ZINC000622307475 370836146 /nfs/dbraw/zinc/83/61/46/370836146.db2.gz AQJRMSKUDUAYSZ-UHFFFAOYSA-N 1 2 233.275 0.355 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C1CC1 ZINC000622291439 370826110 /nfs/dbraw/zinc/82/61/10/370826110.db2.gz LLLDEYNSSLZSNS-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C1CC1 ZINC000622291439 370826116 /nfs/dbraw/zinc/82/61/16/370826116.db2.gz LLLDEYNSSLZSNS-PWSUYJOCSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1cn2c(n1)CCC2 ZINC000581134407 367272963 /nfs/dbraw/zinc/27/29/63/367272963.db2.gz VTCFAARACDFJPV-UHFFFAOYSA-N 1 2 244.254 0.604 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCN(C)C(=O)C2)CC1 ZINC000580990465 367227581 /nfs/dbraw/zinc/22/75/81/367227581.db2.gz GQYKQPQSSHCYQX-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCN(C)C(=O)C2)CC1 ZINC000580990465 367227586 /nfs/dbraw/zinc/22/75/86/367227586.db2.gz GQYKQPQSSHCYQX-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO CCn1nnc(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000581380145 367412618 /nfs/dbraw/zinc/41/26/18/367412618.db2.gz JTCCVNDCCNTYTM-MRVPVSSYSA-N 1 2 248.290 0.821 20 0 BCADLO COC1(C[NH2+]Cc2nnn(C)n2)CCCC1 ZINC000381488352 367417953 /nfs/dbraw/zinc/41/79/53/367417953.db2.gz WHLSRXBFELBBLA-UHFFFAOYSA-N 1 2 225.296 0.259 20 0 BCADLO C[NH2+]Cc1noc(CCc2ccnc(C)n2)n1 ZINC000581429033 367466567 /nfs/dbraw/zinc/46/65/67/367466567.db2.gz QWAQBAFEVRXXSU-UHFFFAOYSA-N 1 2 233.275 0.673 20 0 BCADLO CCc1nc(C[NH2+]C[C@@H]2COCCN2)cs1 ZINC000382000137 367477028 /nfs/dbraw/zinc/47/70/28/367477028.db2.gz JKXUCDIJPOOKQC-SECBINFHSA-N 1 2 241.360 0.784 20 0 BCADLO CC[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000382381160 367513409 /nfs/dbraw/zinc/51/34/09/367513409.db2.gz HUKXQPKRSYOVPJ-SNVBAGLBSA-N 1 2 211.265 0.160 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000581571629 367599713 /nfs/dbraw/zinc/59/97/13/367599713.db2.gz VIYWLFHKTUMEJA-QWRGUYRKSA-N 1 2 239.319 0.078 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000581571629 367599721 /nfs/dbraw/zinc/59/97/21/367599721.db2.gz VIYWLFHKTUMEJA-QWRGUYRKSA-N 1 2 239.319 0.078 20 0 BCADLO CCOC1C[NH+](C[C@@H](O)COC(C)C)C1 ZINC000383169798 367603742 /nfs/dbraw/zinc/60/37/42/367603742.db2.gz XFHOLKLHTZTSEN-SNVBAGLBSA-N 1 2 217.309 0.493 20 0 BCADLO CCn1nncc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000581615820 367635906 /nfs/dbraw/zinc/63/59/06/367635906.db2.gz UJBPHJMXPUXFLZ-GFCCVEGCSA-N 1 2 249.318 0.153 20 0 BCADLO CCn1nncc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000581615820 367635910 /nfs/dbraw/zinc/63/59/10/367635910.db2.gz UJBPHJMXPUXFLZ-GFCCVEGCSA-N 1 2 249.318 0.153 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC1(F)F ZINC000622353477 370862920 /nfs/dbraw/zinc/86/29/20/370862920.db2.gz PGIZUFHDLWUQCI-LURJTMIESA-N 1 2 215.203 0.692 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1CCO ZINC000581700345 367719638 /nfs/dbraw/zinc/71/96/38/367719638.db2.gz WKYPCIWVMWOHAX-MNOVXSKESA-N 1 2 237.303 0.550 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](O)C1CCC1 ZINC000622364388 370869232 /nfs/dbraw/zinc/86/92/32/370869232.db2.gz SQHKDBVTMCCLKX-JTQLQIEISA-N 1 2 223.276 0.229 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC12CC2 ZINC000622363869 370870181 /nfs/dbraw/zinc/87/01/81/370870181.db2.gz BWCCMEOHECHEII-MRVPVSSYSA-N 1 2 205.261 0.869 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC12CC2 ZINC000622363870 370870234 /nfs/dbraw/zinc/87/02/34/370870234.db2.gz BWCCMEOHECHEII-QMMMGPOBSA-N 1 2 205.261 0.869 20 0 BCADLO CCC[C@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000622364291 370870249 /nfs/dbraw/zinc/87/02/49/370870249.db2.gz QLZCJBCBJVIVLQ-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H](c3cccnc3)C2)n1 ZINC000581723853 367788131 /nfs/dbraw/zinc/78/81/31/367788131.db2.gz BMHXIKARSOJAEI-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H](c3cccnc3)C2)n1 ZINC000581723853 367788136 /nfs/dbraw/zinc/78/81/36/367788136.db2.gz BMHXIKARSOJAEI-NSHDSACASA-N 1 2 244.302 0.595 20 0 BCADLO CC(C)n1ncnc1C[N@H+](CCO)CCCO ZINC000385762580 367861852 /nfs/dbraw/zinc/86/18/52/367861852.db2.gz ZHSSTTKOKABUKZ-UHFFFAOYSA-N 1 2 242.323 0.036 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](CCO)CCCO ZINC000385762580 367861855 /nfs/dbraw/zinc/86/18/55/367861855.db2.gz ZHSSTTKOKABUKZ-UHFFFAOYSA-N 1 2 242.323 0.036 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1c[nH]nc1C ZINC000385345493 367819858 /nfs/dbraw/zinc/81/98/58/367819858.db2.gz TXHDLDOUINSLDT-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO CNC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011678185 367925228 /nfs/dbraw/zinc/92/52/28/367925228.db2.gz JEIPBTSZXFCRFS-UHFFFAOYSA-N 1 2 237.288 0.201 20 0 BCADLO CNC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000023467092 367994404 /nfs/dbraw/zinc/99/44/04/367994404.db2.gz WSFBSCPSIYSHDD-UHFFFAOYSA-N 1 2 237.303 0.143 20 0 BCADLO CCn1ncc(C(=O)NCc2[nH+]ccn2C)c1C ZINC000630921433 367949655 /nfs/dbraw/zinc/94/96/55/367949655.db2.gz FEDIGCQFJQNMGO-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO Cc1nocc1C(=O)NCc1[nH+]ccn1C ZINC000630921499 367951686 /nfs/dbraw/zinc/95/16/86/367951686.db2.gz FPWVNONVAGMYRA-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)O ZINC000387183036 368098791 /nfs/dbraw/zinc/09/87/91/368098791.db2.gz VLUYPVQUTWVUDL-DTWKUNHWSA-N 1 2 211.265 0.159 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCOC1 ZINC000615759532 368274688 /nfs/dbraw/zinc/27/46/88/368274688.db2.gz VFTTZQYSRCPMLE-SECBINFHSA-N 1 2 221.260 0.262 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCOC1 ZINC000615762113 368279447 /nfs/dbraw/zinc/27/94/47/368279447.db2.gz FEWYVRAKSXYYQW-SECBINFHSA-N 1 2 221.260 0.262 20 0 BCADLO COCC[NH+]1CCN(C(=O)[C@H](C)SC)CC1 ZINC000042857406 368360802 /nfs/dbraw/zinc/36/08/02/368360802.db2.gz WKNFKEZPEVUFPH-JTQLQIEISA-N 1 2 246.376 0.529 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774248 368450602 /nfs/dbraw/zinc/45/06/02/368450602.db2.gz WCIHMVBSCKKEFJ-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774248 368450605 /nfs/dbraw/zinc/45/06/05/368450605.db2.gz WCIHMVBSCKKEFJ-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO O=C(CC[C@@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000046150023 368437428 /nfs/dbraw/zinc/43/74/28/368437428.db2.gz CCDBCBZBYCQAGX-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO CO[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000056548890 368470665 /nfs/dbraw/zinc/47/06/65/368470665.db2.gz ANXJZGXBHKFJOA-SECBINFHSA-N 1 2 237.303 0.799 20 0 BCADLO CN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046884323 368452646 /nfs/dbraw/zinc/45/26/46/368452646.db2.gz UWDCXCZKKTZZOB-UHFFFAOYSA-N 1 2 222.292 0.919 20 0 BCADLO CC(C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000057157639 368484365 /nfs/dbraw/zinc/48/43/65/368484365.db2.gz MAOAQCWUUYLWAZ-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CCO[C@@H](CC)C(=O)N1CC[NH+](C)CC1 ZINC000057179297 368485166 /nfs/dbraw/zinc/48/51/66/368485166.db2.gz OFTGUIFSOSPIPN-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CN(CC(N)=O)Cc1cn2ccccc2[nH+]1 ZINC000058518383 368513089 /nfs/dbraw/zinc/51/30/89/368513089.db2.gz DNTCTFCAIBTDQS-UHFFFAOYSA-N 1 2 218.260 0.251 20 0 BCADLO O=C(CCCF)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615857128 368547321 /nfs/dbraw/zinc/54/73/21/368547321.db2.gz AFGPBTNHHCXRQM-PHIMTYICSA-N 1 2 244.310 0.716 20 0 BCADLO O=C(CCCF)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615857128 368547327 /nfs/dbraw/zinc/54/73/27/368547327.db2.gz AFGPBTNHHCXRQM-PHIMTYICSA-N 1 2 244.310 0.716 20 0 BCADLO CC(C)OCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000063732459 368595444 /nfs/dbraw/zinc/59/54/44/368595444.db2.gz CIRODFWLJGUQON-NSHDSACASA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000066448876 368648780 /nfs/dbraw/zinc/64/87/80/368648780.db2.gz NWPUNGWOBKYZNV-VIFPVBQESA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000066448876 368648786 /nfs/dbraw/zinc/64/87/86/368648786.db2.gz NWPUNGWOBKYZNV-VIFPVBQESA-N 1 2 241.335 0.098 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067661542 368695311 /nfs/dbraw/zinc/69/53/11/368695311.db2.gz CUJMHIGFFFLKMX-SNVBAGLBSA-N 1 2 228.292 0.008 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067661542 368695316 /nfs/dbraw/zinc/69/53/16/368695316.db2.gz CUJMHIGFFFLKMX-SNVBAGLBSA-N 1 2 228.292 0.008 20 0 BCADLO COC[C@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000615952508 368761422 /nfs/dbraw/zinc/76/14/22/368761422.db2.gz GLYIJOMEFSMKIC-QMMMGPOBSA-N 1 2 241.291 0.422 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000070754827 368762219 /nfs/dbraw/zinc/76/22/19/368762219.db2.gz RNKNIZLNEOSANW-JTQLQIEISA-N 1 2 243.351 0.358 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000070754827 368762223 /nfs/dbraw/zinc/76/22/23/368762223.db2.gz RNKNIZLNEOSANW-JTQLQIEISA-N 1 2 243.351 0.358 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)on1 ZINC000070794102 368765694 /nfs/dbraw/zinc/76/56/94/368765694.db2.gz QOSUOXIAALYUMT-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)on1 ZINC000070794102 368765698 /nfs/dbraw/zinc/76/56/98/368765698.db2.gz QOSUOXIAALYUMT-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@@H](O)C2CC2)c2[nH+]ccn21 ZINC000615965306 368805519 /nfs/dbraw/zinc/80/55/19/368805519.db2.gz YKAXKGWZOALJTC-QNSHHTMESA-N 1 2 235.287 0.776 20 0 BCADLO COCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799439 368781232 /nfs/dbraw/zinc/78/12/32/368781232.db2.gz YFMYEFJTNFDPHL-SNVBAGLBSA-N 1 2 240.328 0.867 20 0 BCADLO COCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799439 368781233 /nfs/dbraw/zinc/78/12/33/368781233.db2.gz YFMYEFJTNFDPHL-SNVBAGLBSA-N 1 2 240.328 0.867 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H](C)C(N)=O)cn1 ZINC000072983032 368788007 /nfs/dbraw/zinc/78/80/07/368788007.db2.gz GKSVIEOCSJEFNO-MRVPVSSYSA-N 1 2 210.281 0.209 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H](C)C(N)=O)cn1 ZINC000072983032 368788012 /nfs/dbraw/zinc/78/80/12/368788012.db2.gz GKSVIEOCSJEFNO-MRVPVSSYSA-N 1 2 210.281 0.209 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC1CSC1 ZINC000616057745 368926163 /nfs/dbraw/zinc/92/61/63/368926163.db2.gz TWRMBJUGNFKPFH-UHFFFAOYSA-N 1 2 225.317 0.752 20 0 BCADLO C[C@H]1Cc2ccccc2N1c1nc(N)[nH+]c(N)n1 ZINC000623810223 368984668 /nfs/dbraw/zinc/98/46/68/368984668.db2.gz NYWQNYWMSHJLFZ-ZETCQYMHSA-N 1 2 242.286 0.779 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457850932 203111681 /nfs/dbraw/zinc/11/16/81/203111681.db2.gz RKFJCZSTYHZVNT-UWVGGRQHSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000618703249 369201442 /nfs/dbraw/zinc/20/14/42/369201442.db2.gz CHSQNGURMCQDCH-ZWNOBZJWSA-N 1 2 249.314 0.756 20 0 BCADLO C[C@H]1OCC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC000156239584 326224334 /nfs/dbraw/zinc/22/43/34/326224334.db2.gz FFAOBOGVMSGOID-NXEZZACHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@H]1OCC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC000156239584 326224336 /nfs/dbraw/zinc/22/43/36/326224336.db2.gz FFAOBOGVMSGOID-NXEZZACHSA-N 1 2 226.320 0.716 20 0 BCADLO Cc1cccn2c(NC(=O)[C@@H](C)O)c[nH+]c12 ZINC000619014339 369257403 /nfs/dbraw/zinc/25/74/03/369257403.db2.gz KRHYDCVUPBXVDD-MRVPVSSYSA-N 1 2 219.244 0.962 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@](O)(C(F)F)C1 ZINC000567620085 326230679 /nfs/dbraw/zinc/23/06/79/326230679.db2.gz OOTNQJHWJATPEM-JTQLQIEISA-N 1 2 245.229 0.112 20 0 BCADLO COCC[N@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459300512 203249965 /nfs/dbraw/zinc/24/99/65/203249965.db2.gz KHXCWZRNZXULTJ-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COCC[N@@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459300512 203249969 /nfs/dbraw/zinc/24/99/69/203249969.db2.gz KHXCWZRNZXULTJ-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H](C)O)C(=O)OC ZINC000459406839 203276541 /nfs/dbraw/zinc/27/65/41/203276541.db2.gz OQWMTZBPPIHBSM-HLTSFMKQSA-N 1 2 203.282 0.545 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619369672 369327758 /nfs/dbraw/zinc/32/77/58/369327758.db2.gz VKXLFSXSYTUWJO-NXEZZACHSA-N 1 2 219.288 0.831 20 0 BCADLO CCN1C[C@@H]([NH2+]Cc2cc(C)on2)CC1=O ZINC000459574862 203305559 /nfs/dbraw/zinc/30/55/59/203305559.db2.gz JNNWOJXVZVLQHM-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1cnccn1 ZINC000402626396 369388980 /nfs/dbraw/zinc/38/89/80/369388980.db2.gz XKPZGQNDRZYPCH-UHFFFAOYSA-N 1 2 237.303 0.904 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1cnccn1 ZINC000402626396 369388983 /nfs/dbraw/zinc/38/89/83/369388983.db2.gz XKPZGQNDRZYPCH-UHFFFAOYSA-N 1 2 237.303 0.904 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCOC1 ZINC000619433560 369353186 /nfs/dbraw/zinc/35/31/86/369353186.db2.gz NWNQRWIYHOPFQU-VWYCJHECSA-N 1 2 245.294 0.998 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCOC1 ZINC000619433560 369353190 /nfs/dbraw/zinc/35/31/90/369353190.db2.gz NWNQRWIYHOPFQU-VWYCJHECSA-N 1 2 245.294 0.998 20 0 BCADLO Cn1cnnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387806710 369358838 /nfs/dbraw/zinc/35/88/38/369358838.db2.gz PWTGODBLKYTTMP-QMMMGPOBSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1cnnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387806710 369358841 /nfs/dbraw/zinc/35/88/41/369358841.db2.gz PWTGODBLKYTTMP-QMMMGPOBSA-N 1 2 210.281 0.018 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC[C@]1(O)CCOC1)C1CC1 ZINC000403219473 369397860 /nfs/dbraw/zinc/39/78/60/369397860.db2.gz UBMDBGRKDQTVAF-JQWIXIFHSA-N 1 2 243.303 0.069 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@]1(O)CCOC1)C1CC1 ZINC000403219475 369398254 /nfs/dbraw/zinc/39/82/54/369398254.db2.gz UBMDBGRKDQTVAF-PWSUYJOCSA-N 1 2 243.303 0.069 20 0 BCADLO COc1cccc(C[NH+]2CC(C)(CO)C2)n1 ZINC000459626173 203321973 /nfs/dbraw/zinc/32/19/73/203321973.db2.gz ZTLRLBIWMULRND-UHFFFAOYSA-N 1 2 222.288 0.904 20 0 BCADLO CC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000230018236 369415917 /nfs/dbraw/zinc/41/59/17/369415917.db2.gz SPHFUCLXMZVOHT-SECBINFHSA-N 1 2 211.265 0.160 20 0 BCADLO COCC1(O)C[NH+](Cc2scnc2C)C1 ZINC000459639515 203326560 /nfs/dbraw/zinc/32/65/60/203326560.db2.gz OKIBNDSRAWCIPY-UHFFFAOYSA-N 1 2 228.317 0.645 20 0 BCADLO COCC1(O)C[NH+](Cc2ccc(C)cn2)C1 ZINC000459636188 203326569 /nfs/dbraw/zinc/32/65/69/203326569.db2.gz JTLUDVFDNJFVQS-UHFFFAOYSA-N 1 2 222.288 0.583 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1(C)COC1 ZINC000619515696 369457322 /nfs/dbraw/zinc/45/73/22/369457322.db2.gz VCPOWIVJWYONFK-IUCAKERBSA-N 1 2 231.267 0.608 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1(C)COC1 ZINC000619515696 369457325 /nfs/dbraw/zinc/45/73/25/369457325.db2.gz VCPOWIVJWYONFK-IUCAKERBSA-N 1 2 231.267 0.608 20 0 BCADLO CC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515628 369457541 /nfs/dbraw/zinc/45/75/41/369457541.db2.gz YWAZRXDKAYVTHH-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO CC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515628 369457545 /nfs/dbraw/zinc/45/75/45/369457545.db2.gz YWAZRXDKAYVTHH-CIUDSAMLSA-N 1 2 219.256 0.343 20 0 BCADLO CC(C)CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459685986 203338147 /nfs/dbraw/zinc/33/81/47/203338147.db2.gz GSKZDVSGGFVPNF-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO CC(C)CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459685986 203338150 /nfs/dbraw/zinc/33/81/50/203338150.db2.gz GSKZDVSGGFVPNF-UHFFFAOYSA-N 1 2 241.335 0.052 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@]1(C)CO ZINC000622510618 370973762 /nfs/dbraw/zinc/97/37/62/370973762.db2.gz JIPLWVMCRHIXTP-GFCCVEGCSA-N 1 2 237.303 0.336 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC1(F)F ZINC000622504101 370966715 /nfs/dbraw/zinc/96/67/15/370966715.db2.gz NXFPVTNKKRGQLI-QMMMGPOBSA-N 1 2 229.230 0.734 20 0 BCADLO CCc1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000109836644 369544657 /nfs/dbraw/zinc/54/46/57/369544657.db2.gz XDDLUHKVJAWYTP-UHFFFAOYSA-N 1 2 221.264 0.987 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620136824 369744035 /nfs/dbraw/zinc/74/40/35/369744035.db2.gz HLGOPEZPDWFNAF-GHMZBOCLSA-N 1 2 249.314 0.458 20 0 BCADLO CC(C)(C(=O)N1CCC2(COC2)C1)c1c[nH+]c[nH]1 ZINC000620289488 369807642 /nfs/dbraw/zinc/80/76/42/369807642.db2.gz SMUOIUMSDZEAML-UHFFFAOYSA-N 1 2 249.314 0.936 20 0 BCADLO OC1(C[N@@H+]2CCn3nncc3C2)CCCC1 ZINC000568104980 326309180 /nfs/dbraw/zinc/30/91/80/326309180.db2.gz KVWQMSYEVIJIDL-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO OC1(C[N@H+]2CCn3nncc3C2)CCCC1 ZINC000568104980 326309185 /nfs/dbraw/zinc/30/91/85/326309185.db2.gz KVWQMSYEVIJIDL-UHFFFAOYSA-N 1 2 222.292 0.399 20 0 BCADLO CC1(C)OCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000620513711 369903415 /nfs/dbraw/zinc/90/34/15/369903415.db2.gz RWGNGHZJFGVCCI-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H](NC(=O)c1ccn[nH]1)c1[nH+]ccn1C ZINC000620597822 369949537 /nfs/dbraw/zinc/94/95/37/369949537.db2.gz ZUJFFHXOHYBELT-SSDOTTSWSA-N 1 2 219.248 0.634 20 0 BCADLO Cc1cc(CC(=O)N[C@H](C)c2[nH+]ccn2C)n[nH]1 ZINC000620604954 369953539 /nfs/dbraw/zinc/95/35/39/369953539.db2.gz YIXJCDAMGRJYFO-SECBINFHSA-N 1 2 247.302 0.872 20 0 BCADLO C[C@H](NC(=O)[C@H](O)C1CC1)c1[nH+]ccn1C ZINC000620607239 369955952 /nfs/dbraw/zinc/95/59/52/369955952.db2.gz FOCVUEQRRXIYCE-IONNQARKSA-N 1 2 223.276 0.368 20 0 BCADLO CC(=O)C1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620608257 369957108 /nfs/dbraw/zinc/95/71/08/369957108.db2.gz NFVTVGXMNWJABL-QMMMGPOBSA-N 1 2 235.287 0.967 20 0 BCADLO Cc1cnn(C)c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620611637 369958191 /nfs/dbraw/zinc/95/81/91/369958191.db2.gz MTNLGSIIWRQBMD-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO C[C@@H](NC(=O)[C@H](O)C1CCC1)c1[nH+]ccn1C ZINC000620612498 369958236 /nfs/dbraw/zinc/95/82/36/369958236.db2.gz WVRITCICQZGOBE-PSASIEDQSA-N 1 2 237.303 0.758 20 0 BCADLO CNC(=O)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620652074 369973662 /nfs/dbraw/zinc/97/36/62/369973662.db2.gz XPXOCRXQQCDUQP-UHFFFAOYSA-N 1 2 246.270 0.717 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620547958 369913025 /nfs/dbraw/zinc/91/30/25/369913025.db2.gz JPSPYCBRIVGYJI-BREBYQMCSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@H](NC(=O)CCn1cccn1)c1[nH+]ccn1C ZINC000620595340 369948065 /nfs/dbraw/zinc/94/80/65/369948065.db2.gz GXYVYIWKRSKTQM-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO Cc1n[nH]cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595066 369948162 /nfs/dbraw/zinc/94/81/62/369948162.db2.gz HBBPCHOBJMZXJG-QMMMGPOBSA-N 1 2 233.275 0.943 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCO1 ZINC000074726799 370008657 /nfs/dbraw/zinc/00/86/57/370008657.db2.gz GKXGVAMNKCLPIL-JTQLQIEISA-N 1 2 223.276 0.638 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC000074726799 370008661 /nfs/dbraw/zinc/00/86/61/370008661.db2.gz GKXGVAMNKCLPIL-JTQLQIEISA-N 1 2 223.276 0.638 20 0 BCADLO C[C@H](CC(=O)N[C@H]1C[C@H](O)C1)n1cc[nH+]c1 ZINC000620865466 370016348 /nfs/dbraw/zinc/01/63/48/370016348.db2.gz FCBULXHIWXOZJN-OPRDCNLKSA-N 1 2 223.276 0.474 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000620866550 370018088 /nfs/dbraw/zinc/01/80/88/370018088.db2.gz SCMGZDIEBADRBT-GUBZILKMSA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)(C(=O)N[C@H]1C[C@H](O)C1)c1c[nH]c[nH+]1 ZINC000620876470 370030291 /nfs/dbraw/zinc/03/02/91/370030291.db2.gz GRJGQZPCXZQVRV-ZKCHVHJHSA-N 1 2 223.276 0.327 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)Cc1ccccn1 ZINC000621298749 370227655 /nfs/dbraw/zinc/22/76/55/370227655.db2.gz ILQLULXXXACLSX-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000621298749 370227658 /nfs/dbraw/zinc/22/76/58/370227658.db2.gz ILQLULXXXACLSX-UHFFFAOYSA-N 1 2 243.332 0.063 20 0 BCADLO Cc1nccnc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000621362357 370297052 /nfs/dbraw/zinc/29/70/52/370297052.db2.gz WPCQMAYLLYMJST-UHFFFAOYSA-N 1 2 234.303 0.495 20 0 BCADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1CO ZINC000621373582 370312675 /nfs/dbraw/zinc/31/26/75/370312675.db2.gz LHVMTFFJBHUSHQ-VHSXEESVSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1CO ZINC000621373582 370312678 /nfs/dbraw/zinc/31/26/78/370312678.db2.gz LHVMTFFJBHUSHQ-VHSXEESVSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2csnn2)C[C@@H]1CO ZINC000621374220 370315428 /nfs/dbraw/zinc/31/54/28/370315428.db2.gz WNNCYBBEOKAKOH-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1CO ZINC000621374220 370315430 /nfs/dbraw/zinc/31/54/30/370315430.db2.gz WNNCYBBEOKAKOH-RKDXNWHRSA-N 1 2 227.333 0.988 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC1(CO)CCCC1 ZINC000310353115 370338490 /nfs/dbraw/zinc/33/84/90/370338490.db2.gz HOYCBFJZPBFOBY-UHFFFAOYSA-N 1 2 237.303 0.552 20 0 BCADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000077487169 370425572 /nfs/dbraw/zinc/42/55/72/370425572.db2.gz LXQJTJKTBNWVBS-JTQLQIEISA-N 1 2 245.286 0.887 20 0 BCADLO Cc1nccnc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000621714826 370462326 /nfs/dbraw/zinc/46/23/26/370462326.db2.gz ADMZCJGTYSDAQU-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccnc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000621714826 370462330 /nfs/dbraw/zinc/46/23/30/370462330.db2.gz ADMZCJGTYSDAQU-GFCCVEGCSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccnc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000621723038 370474802 /nfs/dbraw/zinc/47/48/02/370474802.db2.gz RVSNVCAUVLXMGH-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccnc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000621723038 370474807 /nfs/dbraw/zinc/47/48/07/370474807.db2.gz RVSNVCAUVLXMGH-SKDRFNHKSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccnc1CN1CCn2c[nH+]cc2C1 ZINC000621728065 370480269 /nfs/dbraw/zinc/48/02/69/370480269.db2.gz ALACCBBZNHSIOV-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO CCc1cc(NC[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC000078598019 370580307 /nfs/dbraw/zinc/58/03/07/370580307.db2.gz JXENQGVSWPVGPX-LLVKDONJSA-N 1 2 236.319 0.782 20 0 BCADLO CCc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC000078598019 370580311 /nfs/dbraw/zinc/58/03/11/370580311.db2.gz JXENQGVSWPVGPX-LLVKDONJSA-N 1 2 236.319 0.782 20 0 BCADLO Cc1cc(C)c(CNC(=O)Cn2cnnn2)c[nH+]1 ZINC000622667881 371046717 /nfs/dbraw/zinc/04/67/17/371046717.db2.gz WZUBTNHGVQNXGH-UHFFFAOYSA-N 1 2 246.274 0.001 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2cn(C)nn2)c[nH+]1 ZINC000622667943 371047121 /nfs/dbraw/zinc/04/71/21/371047121.db2.gz ZLGODYSDFRPOOC-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2ncn(C)n2)c[nH+]1 ZINC000622667358 371047401 /nfs/dbraw/zinc/04/74/01/371047401.db2.gz BRQIQRFZTFHFPE-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CN(C)[C@@H](C(=O)NCCF)c1c[nH+]cn1C ZINC000622578254 371004444 /nfs/dbraw/zinc/00/44/44/371004444.db2.gz SBYHFQKDEUATSC-SECBINFHSA-N 1 2 228.271 0.109 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1C1CC1 ZINC000622637280 371027847 /nfs/dbraw/zinc/02/78/47/371027847.db2.gz VGHYGZUMSAHNJT-NSHDSACASA-N 1 2 219.288 0.974 20 0 BCADLO Cc1ccncc1CNC(=O)Cc1c[nH+]cn1C ZINC000622648672 371034144 /nfs/dbraw/zinc/03/41/44/371034144.db2.gz FCZZYYJSHXVKKS-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CCc1ncc(CNC(=O)Cc2c[nH+]cn2C)o1 ZINC000622656019 371042990 /nfs/dbraw/zinc/04/29/90/371042990.db2.gz OYVKHDFGANZAOO-UHFFFAOYSA-N 1 2 248.286 0.829 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622658061 371043103 /nfs/dbraw/zinc/04/31/03/371043103.db2.gz OWCKYJJZPXFYEK-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCCCO2)c1 ZINC000622686086 371064021 /nfs/dbraw/zinc/06/40/21/371064021.db2.gz YRUQHQVZAGZDTC-LLVKDONJSA-N 1 2 237.303 0.648 20 0 BCADLO O=C1[C@H]([NH2+]Cc2cocn2)CCN1C1CCC1 ZINC000623841874 371124106 /nfs/dbraw/zinc/12/41/06/371124106.db2.gz AOPYKYLPCYJZKB-LLVKDONJSA-N 1 2 235.287 0.918 20 0 BCADLO CCOC(=O)C[N@H+](CC)CCc1cn[nH]c1 ZINC000390460966 371205317 /nfs/dbraw/zinc/20/53/17/371205317.db2.gz CGDHAQMUBSBOEG-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CCOC(=O)C[N@@H+](CC)CCc1cn[nH]c1 ZINC000390460966 371205321 /nfs/dbraw/zinc/20/53/21/371205321.db2.gz CGDHAQMUBSBOEG-UHFFFAOYSA-N 1 2 225.292 0.837 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000390503204 371208899 /nfs/dbraw/zinc/20/88/99/371208899.db2.gz VSYONCYLJYFUQV-DTWKUNHWSA-N 1 2 229.276 0.481 20 0 BCADLO NC(=O)[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000624213178 371400202 /nfs/dbraw/zinc/40/02/02/371400202.db2.gz PAHYEVJCTLCJKW-NSHDSACASA-N 1 2 230.271 0.726 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@H](CC(N)=O)C1 ZINC000624226000 371414399 /nfs/dbraw/zinc/41/43/99/371414399.db2.gz HJCDBLYHPVGCKG-VIFPVBQESA-N 1 2 235.287 0.792 20 0 BCADLO C/C=C/CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000624187682 371377390 /nfs/dbraw/zinc/37/73/90/371377390.db2.gz DRAILBOBNUPNFV-ONEGZZNKSA-N 1 2 222.292 0.838 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC12CC2 ZINC000624245445 371431434 /nfs/dbraw/zinc/43/14/34/371431434.db2.gz DPFHPBLKMCUYPD-NXEZZACHSA-N 1 2 239.319 0.169 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC12CC2 ZINC000624245445 371431439 /nfs/dbraw/zinc/43/14/39/371431439.db2.gz DPFHPBLKMCUYPD-NXEZZACHSA-N 1 2 239.319 0.169 20 0 BCADLO C[C@H](c1cn[nH]c1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624251971 371436587 /nfs/dbraw/zinc/43/65/87/371436587.db2.gz YHLPERUHNYBOLC-PSASIEDQSA-N 1 2 238.291 0.047 20 0 BCADLO C[C@H](c1cn[nH]c1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624251971 371436591 /nfs/dbraw/zinc/43/65/91/371436591.db2.gz YHLPERUHNYBOLC-PSASIEDQSA-N 1 2 238.291 0.047 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2COCC[N@H+]2C)n1 ZINC000624618451 371551587 /nfs/dbraw/zinc/55/15/87/371551587.db2.gz BLDANSFHRPUAPG-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(C)c(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000624618451 371551593 /nfs/dbraw/zinc/55/15/93/371551593.db2.gz BLDANSFHRPUAPG-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO C[C@@H](CCO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573006648 326424450 /nfs/dbraw/zinc/42/44/50/326424450.db2.gz IIWLQLROXKFDNI-QWRGUYRKSA-N 1 2 239.319 0.969 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1c(C)nn(C)c1C ZINC000624365604 371493684 /nfs/dbraw/zinc/49/36/84/371493684.db2.gz OTVNXJVDNWGKDM-UHFFFAOYSA-N 1 2 224.308 0.215 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000624365604 371493689 /nfs/dbraw/zinc/49/36/89/371493689.db2.gz OTVNXJVDNWGKDM-UHFFFAOYSA-N 1 2 224.308 0.215 20 0 BCADLO CO[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000627370679 371587650 /nfs/dbraw/zinc/58/76/50/371587650.db2.gz ISOBTEWZZUZFJW-LLVKDONJSA-N 1 2 237.303 0.965 20 0 BCADLO CO[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000627370679 371587652 /nfs/dbraw/zinc/58/76/52/371587652.db2.gz ISOBTEWZZUZFJW-LLVKDONJSA-N 1 2 237.303 0.965 20 0 BCADLO CCn1nccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627369710 371588556 /nfs/dbraw/zinc/58/85/56/371588556.db2.gz AUTFXXRUJACIGR-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO CCn1nccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627369710 371588561 /nfs/dbraw/zinc/58/85/61/371588561.db2.gz AUTFXXRUJACIGR-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO COC1CC(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000627393849 371598978 /nfs/dbraw/zinc/59/89/78/371598978.db2.gz NKCOTSCJODHSQC-UHFFFAOYSA-N 1 2 235.287 0.650 20 0 BCADLO Cc1cc(N2C[C@H](CO)O[C@@H](C)C2)nc[nH+]1 ZINC000230006533 371632618 /nfs/dbraw/zinc/63/26/18/371632618.db2.gz QCCRLVFVROKTHH-VHSXEESVSA-N 1 2 223.276 0.371 20 0 BCADLO CC[C@H]([NH2+]Cc1ncnn1C(C)C)C(=O)NC ZINC000631154708 372210635 /nfs/dbraw/zinc/21/06/35/372210635.db2.gz NBVYTSPREYNBGW-VIFPVBQESA-N 1 2 239.323 0.473 20 0 BCADLO C[NH+]1CCN(C(=O)c2nc(C3CC3)no2)CC1 ZINC000631319959 372293376 /nfs/dbraw/zinc/29/33/76/372293376.db2.gz YGJGOHBSOJUTNH-UHFFFAOYSA-N 1 2 236.275 0.335 20 0 BCADLO CCOC(=O)CCC[N@H+](C)CC(=O)OCC ZINC000171034894 372262285 /nfs/dbraw/zinc/26/22/85/372262285.db2.gz ASWIDJHYJPTYIT-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)CC(=O)OCC ZINC000171034894 372262292 /nfs/dbraw/zinc/26/22/92/372262292.db2.gz ASWIDJHYJPTYIT-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO c1c[nH]c(C[NH2+]C2CN(c3ccncn3)C2)n1 ZINC000631258838 372265394 /nfs/dbraw/zinc/26/53/94/372265394.db2.gz ZGPZZIIJJZVDIE-UHFFFAOYSA-N 1 2 230.275 0.178 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1nc(C2CC2)no1 ZINC000631347322 372306536 /nfs/dbraw/zinc/30/65/36/372306536.db2.gz HIVZMUXLZQKOHH-UHFFFAOYSA-N 1 2 247.258 0.611 20 0 BCADLO O[C@@H]1COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000631432841 372360970 /nfs/dbraw/zinc/36/09/70/372360970.db2.gz KWGOGASIDZPBQF-NWDGAFQWSA-N 1 2 231.255 0.223 20 0 BCADLO C[C@H](CNC(=O)CCCCO)Cn1cc[nH+]c1 ZINC000631423477 372353180 /nfs/dbraw/zinc/35/31/80/372353180.db2.gz BOHZSCUSGYJOPO-LLVKDONJSA-N 1 2 239.319 0.798 20 0 BCADLO C[C@H](CNC(=O)C1CSC1)Cn1cc[nH+]c1 ZINC000631424014 372354047 /nfs/dbraw/zinc/35/40/47/372354047.db2.gz JCJQHTWFUAVNPY-SECBINFHSA-N 1 2 239.344 0.998 20 0 BCADLO C[N@@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)CC1(C)C ZINC000631472808 372383817 /nfs/dbraw/zinc/38/38/17/372383817.db2.gz RLTQFPBTIADXNQ-UHFFFAOYSA-N 1 2 249.314 0.750 20 0 BCADLO C[N@H+]1CCN(C(=O)C(=O)c2ccc[nH]2)CC1(C)C ZINC000631472808 372383825 /nfs/dbraw/zinc/38/38/25/372383825.db2.gz RLTQFPBTIADXNQ-UHFFFAOYSA-N 1 2 249.314 0.750 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000171301283 372530855 /nfs/dbraw/zinc/53/08/55/372530855.db2.gz LCGXXPJQGFCGMD-MRVPVSSYSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000171301283 372530861 /nfs/dbraw/zinc/53/08/61/372530861.db2.gz LCGXXPJQGFCGMD-MRVPVSSYSA-N 1 2 229.276 0.433 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171757856 372756197 /nfs/dbraw/zinc/75/61/97/372756197.db2.gz DLIBTTHBAJKORL-VIFPVBQESA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143674 372778567 /nfs/dbraw/zinc/77/85/67/372778567.db2.gz ZNJIKCWWVXEVRG-JGVFFNPUSA-N 1 2 245.304 0.007 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000632143803 372781035 /nfs/dbraw/zinc/78/10/35/372781035.db2.gz BFXUTRXAOBSCKP-DTORHVGOSA-N 1 2 238.291 0.729 20 0 BCADLO O=C(COc1cccnc1)NCCn1cc[nH+]c1 ZINC000263959224 182003937 /nfs/dbraw/zinc/00/39/37/182003937.db2.gz OUSZTPBDAVCVAE-UHFFFAOYSA-N 1 2 246.270 0.473 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1CSC1 ZINC000632391391 372913110 /nfs/dbraw/zinc/91/31/10/372913110.db2.gz YIKPWLOCOUGWGC-UHFFFAOYSA-N 1 2 225.317 0.442 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH]c(=O)n1C)c1[nH]cc[nH+]1 ZINC000632509715 372978579 /nfs/dbraw/zinc/97/85/79/372978579.db2.gz MPHQKUFGGITGGT-SSDOTTSWSA-N 1 2 249.274 0.730 20 0 BCADLO O=C(Cc1ccc[nH]1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000372384575 182041100 /nfs/dbraw/zinc/04/11/00/182041100.db2.gz LXALTLRZVLNNRB-NSHDSACASA-N 1 2 244.298 0.885 20 0 BCADLO OCC[N@H+](Cc1cnns1)C1CCC1 ZINC000379664969 373036898 /nfs/dbraw/zinc/03/68/98/373036898.db2.gz VMLHEZOCBVMJDT-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO OCC[N@@H+](Cc1cnns1)C1CCC1 ZINC000379664969 373036903 /nfs/dbraw/zinc/03/69/03/373036903.db2.gz VMLHEZOCBVMJDT-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CSC1 ZINC000632575290 373013414 /nfs/dbraw/zinc/01/34/14/373013414.db2.gz ITJAYQMCEWQQHA-VIFPVBQESA-N 1 2 237.328 0.677 20 0 BCADLO O=S(=O)(CCC1CC1)NCc1c[nH+]c[nH]1 ZINC000379799293 373063555 /nfs/dbraw/zinc/06/35/55/373063555.db2.gz JOCHFUHXZMJCLN-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO O=S(=O)(CCC1CC1)NCc1c[nH]c[nH+]1 ZINC000379799293 373063561 /nfs/dbraw/zinc/06/35/61/373063561.db2.gz JOCHFUHXZMJCLN-UHFFFAOYSA-N 1 2 229.305 0.629 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@@]2(C1)CCCOC2 ZINC000357104936 182070617 /nfs/dbraw/zinc/07/06/17/182070617.db2.gz XXXVJSLHAWIHLB-CYBMUJFWSA-N 1 2 249.314 0.912 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](F)C1 ZINC000336320972 182070988 /nfs/dbraw/zinc/07/09/88/182070988.db2.gz AFZCUSIPCAELRD-BDAKNGLRSA-N 1 2 211.240 0.890 20 0 BCADLO CC(C)(CNS(C)(=O)=O)n1cc[nH+]c1 ZINC000632731237 373118951 /nfs/dbraw/zinc/11/89/51/373118951.db2.gz RUFJVTVHZWIJJV-UHFFFAOYSA-N 1 2 217.294 0.167 20 0 BCADLO CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632713010 373087229 /nfs/dbraw/zinc/08/72/29/373087229.db2.gz KCWDPVSEGMJUEH-UHFFFAOYSA-N 1 2 248.330 0.573 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC(F)(F)C(F)F ZINC000276676180 182071779 /nfs/dbraw/zinc/07/17/79/182071779.db2.gz BCAWANIFKSVMHF-UHFFFAOYSA-N 1 2 239.172 0.900 20 0 BCADLO O=C(Cn1cc[nH+]c1)Nc1nccs1 ZINC000041391537 182071100 /nfs/dbraw/zinc/07/11/00/182071100.db2.gz MJMKVCCJBCLTHW-UHFFFAOYSA-N 1 2 208.246 0.978 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@](F)(CO)C1 ZINC000408119750 182071131 /nfs/dbraw/zinc/07/11/31/182071131.db2.gz OISLTODCQHPUEV-LLVKDONJSA-N 1 2 241.266 0.206 20 0 BCADLO CCCS(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632731806 373120447 /nfs/dbraw/zinc/12/04/47/373120447.db2.gz XLYPDJNHMVYBAY-UHFFFAOYSA-N 1 2 245.348 0.948 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]1C1CC1 ZINC000360470889 182071789 /nfs/dbraw/zinc/07/17/89/182071789.db2.gz XTVDVQQHXUAMEM-ZJUUUORDSA-N 1 2 205.261 0.798 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCOC1 ZINC000330896705 182071878 /nfs/dbraw/zinc/07/18/78/182071878.db2.gz NNSSIXNASQCOAQ-SNVBAGLBSA-N 1 2 223.276 0.426 20 0 BCADLO CO[C@@H](C)CS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755284 373126831 /nfs/dbraw/zinc/12/68/31/373126831.db2.gz AJHUCNHHOIGBJL-QMMMGPOBSA-N 1 2 247.320 0.206 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccon1 ZINC000358357180 182085602 /nfs/dbraw/zinc/08/56/02/182085602.db2.gz QLTIDHADQWIFPR-UHFFFAOYSA-N 1 2 205.173 0.449 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)c1ccc(F)cn1 ZINC000337481405 182085816 /nfs/dbraw/zinc/08/58/16/182085816.db2.gz XADPAWJVFLKOHW-UHFFFAOYSA-N 1 2 233.202 0.996 20 0 BCADLO CCOCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632839293 373182938 /nfs/dbraw/zinc/18/29/38/373182938.db2.gz QRBPGRILXLJYDW-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO CO[C@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632985552 373242711 /nfs/dbraw/zinc/24/27/11/373242711.db2.gz LKXQUUIKAIZTIB-SECBINFHSA-N 1 2 240.307 0.976 20 0 BCADLO COC[C@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632983767 373242980 /nfs/dbraw/zinc/24/29/80/373242980.db2.gz YCDJTNZIQWDTNA-SECBINFHSA-N 1 2 240.307 0.834 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CSC1 ZINC000633017275 373253292 /nfs/dbraw/zinc/25/32/92/373253292.db2.gz TUXZQZFKMJKPIZ-VIFPVBQESA-N 1 2 237.328 0.677 20 0 BCADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190141813 259563356 /nfs/dbraw/zinc/56/33/56/259563356.db2.gz VUVAUPLQABCARO-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190141813 259563358 /nfs/dbraw/zinc/56/33/58/259563358.db2.gz VUVAUPLQABCARO-KWQFWETISA-N 1 2 226.276 0.565 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)O ZINC000633288216 373452304 /nfs/dbraw/zinc/45/23/04/373452304.db2.gz JYMGVVZFINYOQJ-YUMQZZPRSA-N 1 2 211.265 0.461 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)CO1 ZINC000633335431 373481617 /nfs/dbraw/zinc/48/16/17/373481617.db2.gz YCJAZOZGDMQZQA-RKDXNWHRSA-N 1 2 238.291 0.729 20 0 BCADLO CCOC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000633304799 373461730 /nfs/dbraw/zinc/46/17/30/373461730.db2.gz UWEMQVAVKKXINL-VIFPVBQESA-N 1 2 237.303 0.739 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CSC1 ZINC000633304552 373462187 /nfs/dbraw/zinc/46/21/87/373462187.db2.gz NRYBCXZYGPWIEB-MRVPVSSYSA-N 1 2 223.301 0.287 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@@H](C)O1 ZINC000633304840 373462217 /nfs/dbraw/zinc/46/22/17/373462217.db2.gz VRGDXOMFKZDYJW-BFLSOPEQSA-N 1 2 249.314 0.738 20 0 BCADLO CCC1CN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000633383609 373509619 /nfs/dbraw/zinc/50/96/19/373509619.db2.gz JDXLJIABANQVOO-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO C[C@@H](NC(=O)C1CSC1)c1[nH+]ccn1C ZINC000633648421 373657817 /nfs/dbraw/zinc/65/78/17/373657817.db2.gz FUIMNOVGNLALGB-SSDOTTSWSA-N 1 2 225.317 0.960 20 0 BCADLO O=C(NCCCO)NCc1ccn2cc[nH+]c2c1 ZINC000177772749 182168261 /nfs/dbraw/zinc/16/82/61/182168261.db2.gz UVFLRIIPIJDNNJ-UHFFFAOYSA-N 1 2 248.286 0.516 20 0 BCADLO CCC[C@@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000633822837 373772792 /nfs/dbraw/zinc/77/27/92/373772792.db2.gz DELFSZJWSISKQP-VIFPVBQESA-N 1 2 225.292 0.999 20 0 BCADLO O=C(NCCCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330657326 182171228 /nfs/dbraw/zinc/17/12/28/182171228.db2.gz VUSGPWWJIMJUCJ-QMMMGPOBSA-N 1 2 223.276 0.328 20 0 BCADLO O=C(NCCCO)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330657326 182171230 /nfs/dbraw/zinc/17/12/30/182171230.db2.gz VUSGPWWJIMJUCJ-QMMMGPOBSA-N 1 2 223.276 0.328 20 0 BCADLO CCC[C@@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000633825007 373775435 /nfs/dbraw/zinc/77/54/35/373775435.db2.gz OWOGGKKLOKWFET-NSHDSACASA-N 1 2 239.319 0.941 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NOCC1CC1 ZINC000292303729 182177749 /nfs/dbraw/zinc/17/77/49/182177749.db2.gz KPZXNKCAWIGEGT-UHFFFAOYSA-N 1 2 238.291 0.914 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cnccn1 ZINC000005942428 182178452 /nfs/dbraw/zinc/17/84/52/182178452.db2.gz NXJBWPCVWWJKRB-UHFFFAOYSA-N 1 2 231.259 0.493 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000036165981 182178706 /nfs/dbraw/zinc/17/87/06/182178706.db2.gz MSSFEKXDDYZBKR-UHFFFAOYSA-N 1 2 219.248 0.426 20 0 BCADLO O=C(NCCF)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000366682377 182179123 /nfs/dbraw/zinc/17/91/23/182179123.db2.gz XRXLGVRUXJWWTC-JTQLQIEISA-N 1 2 245.298 0.072 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356196569 182179301 /nfs/dbraw/zinc/17/93/01/182179301.db2.gz BXTYKBIFDCPYNX-TUAOUCFPSA-N 1 2 249.314 0.814 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1cnc[nH]1 ZINC000338037114 182188335 /nfs/dbraw/zinc/18/83/35/182188335.db2.gz BXAJQSUCNJQGMK-UHFFFAOYSA-N 1 2 231.259 0.647 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)NC1CC1 ZINC000042308955 182188844 /nfs/dbraw/zinc/18/88/44/182188844.db2.gz PVALTIKFWCJWOZ-UHFFFAOYSA-N 1 2 220.276 0.955 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000270409457 182189003 /nfs/dbraw/zinc/18/90/03/182189003.db2.gz IMSIUFLXHAIRQY-SNVBAGLBSA-N 1 2 235.287 0.789 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)O1 ZINC000634020342 373901533 /nfs/dbraw/zinc/90/15/33/373901533.db2.gz MPZVYIGEPVAQHF-VWYCJHECSA-N 1 2 237.303 0.955 20 0 BCADLO O=C(NCCn1cc[nH+]c1)NCc1ccncc1 ZINC000042895684 182215500 /nfs/dbraw/zinc/21/55/00/182215500.db2.gz JRKRVXJAZPBHNG-UHFFFAOYSA-N 1 2 245.286 0.778 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CC(F)C1 ZINC000336390852 182214814 /nfs/dbraw/zinc/21/48/14/182214814.db2.gz MUVPLGJZKCZTPG-UHFFFAOYSA-N 1 2 212.228 0.246 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCCO1 ZINC000283995435 182215632 /nfs/dbraw/zinc/21/56/32/182215632.db2.gz IEEYAYQNFWZMTI-UHFFFAOYSA-N 1 2 210.237 0.230 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356556762 182211601 /nfs/dbraw/zinc/21/16/01/182211601.db2.gz YPKGYGDVHODJPR-GDPRMGEGSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCS1 ZINC000128729892 182211797 /nfs/dbraw/zinc/21/17/97/182211797.db2.gz ZMCDFBHDCLCWHQ-MRVPVSSYSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356556761 182212009 /nfs/dbraw/zinc/21/20/09/182212009.db2.gz YPKGYGDVHODJPR-FBIMIBRVSA-N 1 2 235.287 0.493 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCS1 ZINC000128729688 182212220 /nfs/dbraw/zinc/21/22/20/182212220.db2.gz ZMCDFBHDCLCWHQ-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H](F)C(F)(F)F ZINC000289723549 182216705 /nfs/dbraw/zinc/21/67/05/182216705.db2.gz ZGHORIPWTHUIHR-LURJTMIESA-N 1 2 239.172 0.900 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C(F)C(F)(F)F ZINC000289723549 182216707 /nfs/dbraw/zinc/21/67/07/182216707.db2.gz ZGHORIPWTHUIHR-LURJTMIESA-N 1 2 239.172 0.900 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000353478252 182216926 /nfs/dbraw/zinc/21/69/26/182216926.db2.gz OKXLJLZHEKQRCP-VIFPVBQESA-N 1 2 225.317 0.752 20 0 BCADLO O=C(NC[C@H]1CCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202091 182238633 /nfs/dbraw/zinc/23/86/33/182238633.db2.gz MJLPKGLSDWEGOK-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO COC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000042567211 374276330 /nfs/dbraw/zinc/27/63/30/374276330.db2.gz CHDUCNIKAQIJJX-UHFFFAOYSA-N 1 2 211.265 0.989 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2nc[nH]c2n1 ZINC000355588516 182273276 /nfs/dbraw/zinc/27/32/76/182273276.db2.gz BNVNCWSRBFFEQR-UHFFFAOYSA-N 1 2 242.242 0.611 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CSCCS1 ZINC000267489948 182274140 /nfs/dbraw/zinc/27/41/40/182274140.db2.gz WKIPZJPQVZDJAJ-SSDOTTSWSA-N 1 2 243.357 0.875 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C)[C@H](C)C1 ZINC000424517321 206041761 /nfs/dbraw/zinc/04/17/61/206041761.db2.gz JCLVYILHUKGAEN-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C)[C@H](C)C1 ZINC000424517321 206041765 /nfs/dbraw/zinc/04/17/65/206041765.db2.gz JCLVYILHUKGAEN-UTUOFQBUSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375410186 182293800 /nfs/dbraw/zinc/29/38/00/182293800.db2.gz FNBZZJLSZJJZFB-HRDYMLBCSA-N 1 2 248.273 0.403 20 0 BCADLO Cc1nnc(C[N@H+](CCCCO)C2CC2)[nH]1 ZINC000428235567 206055096 /nfs/dbraw/zinc/05/50/96/206055096.db2.gz HPKWUUIGIOWJNB-UHFFFAOYSA-N 1 2 224.308 0.850 20 0 BCADLO Cc1nnc(C[N@@H+](CCCCO)C2CC2)[nH]1 ZINC000428235567 206055098 /nfs/dbraw/zinc/05/50/98/206055098.db2.gz HPKWUUIGIOWJNB-UHFFFAOYSA-N 1 2 224.308 0.850 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ncn(C)n1 ZINC000437034067 206068830 /nfs/dbraw/zinc/06/88/30/206068830.db2.gz DKVKIMSKRXQUKM-DTWKUNHWSA-N 1 2 239.323 0.333 20 0 BCADLO CCc1nc(C)c(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000428243747 206058631 /nfs/dbraw/zinc/05/86/31/206058631.db2.gz XBNCTAVMKYQSTP-VIFPVBQESA-N 1 2 237.303 0.995 20 0 BCADLO CCc1nc(C)c(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000428243747 206058636 /nfs/dbraw/zinc/05/86/36/206058636.db2.gz XBNCTAVMKYQSTP-VIFPVBQESA-N 1 2 237.303 0.995 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cn(C)nc1C ZINC000430134095 206062557 /nfs/dbraw/zinc/06/25/57/206062557.db2.gz CAZAONYXPMFWMD-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cn(C)nc1C ZINC000430134095 206062562 /nfs/dbraw/zinc/06/25/62/206062562.db2.gz CAZAONYXPMFWMD-UHFFFAOYSA-N 1 2 224.308 0.426 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000298547968 182317585 /nfs/dbraw/zinc/31/75/85/182317585.db2.gz XHUIUJVLZQTBRR-AOOOYVTPSA-N 1 2 231.255 0.587 20 0 BCADLO CC(C)c1ncc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000440468979 206078307 /nfs/dbraw/zinc/07/83/07/206078307.db2.gz XUWJYPSELCYLAC-NSHDSACASA-N 1 2 248.330 0.920 20 0 BCADLO CC(C)c1ncc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000440468979 206078310 /nfs/dbraw/zinc/07/83/10/206078310.db2.gz XUWJYPSELCYLAC-NSHDSACASA-N 1 2 248.330 0.920 20 0 BCADLO COC(=O)Cn1cc(CNc2cccc[nH+]2)nn1 ZINC000441944527 206081535 /nfs/dbraw/zinc/08/15/35/206081535.db2.gz IXNSGWNRYXRWGC-UHFFFAOYSA-N 1 2 247.258 0.458 20 0 BCADLO COC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451588243 206108561 /nfs/dbraw/zinc/10/85/61/206108561.db2.gz JAVUARHORATHIL-QWRGUYRKSA-N 1 2 247.335 0.560 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000194763702 206110643 /nfs/dbraw/zinc/11/06/43/206110643.db2.gz ZCTZQIOLBHPNLJ-NXEZZACHSA-N 1 2 215.293 0.690 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccnnc1 ZINC000378303512 182342852 /nfs/dbraw/zinc/34/28/52/182342852.db2.gz ACBXBWSHTWIJRA-VIFPVBQESA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccnnc1 ZINC000378303512 182342855 /nfs/dbraw/zinc/34/28/55/182342855.db2.gz ACBXBWSHTWIJRA-VIFPVBQESA-N 1 2 243.270 0.487 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@@H]1O ZINC000167130031 206144641 /nfs/dbraw/zinc/14/46/41/206144641.db2.gz WVUXGPBHBCPMSI-WPRPVWTQSA-N 1 2 247.302 0.570 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC000082280892 182363029 /nfs/dbraw/zinc/36/30/29/182363029.db2.gz BEDKAULELGVAML-MRVPVSSYSA-N 1 2 245.286 0.896 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135948874 182391281 /nfs/dbraw/zinc/39/12/81/182391281.db2.gz MWEAYARTNTWJAS-MRVPVSSYSA-N 1 2 231.259 0.807 20 0 BCADLO O=C(Nc1ccccn1)[C@H]1CSC[NH2+]1 ZINC000019485425 182381354 /nfs/dbraw/zinc/38/13/54/182381354.db2.gz JQIRNXYMBBNOKL-SSDOTTSWSA-N 1 2 209.274 0.683 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCO1 ZINC000109890684 182387768 /nfs/dbraw/zinc/38/77/68/182387768.db2.gz JNDHILMIXXXSID-SECBINFHSA-N 1 2 208.217 0.905 20 0 BCADLO O=C(c1csnn1)N1CC[NH+](C2CC2)CC1 ZINC000124729803 182705684 /nfs/dbraw/zinc/70/56/84/182705684.db2.gz YMNDMFQIIFALQL-UHFFFAOYSA-N 1 2 238.316 0.458 20 0 BCADLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ncc[nH]1 ZINC000328622390 182908005 /nfs/dbraw/zinc/90/80/05/182908005.db2.gz YDCDHLNFSWYBAG-VIFPVBQESA-N 1 2 243.332 0.467 20 0 BCADLO O=c1nc(CCCNc2cccc[nH+]2)[nH][nH]1 ZINC000301557811 183010248 /nfs/dbraw/zinc/01/02/48/183010248.db2.gz SWKOEYIKYYXNKJ-UHFFFAOYSA-N 1 2 219.248 0.538 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328730704 183025178 /nfs/dbraw/zinc/02/51/78/183025178.db2.gz GEUXLYVUKJMSAC-KXUCPTDWSA-N 1 2 226.276 0.205 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328730704 183025182 /nfs/dbraw/zinc/02/51/82/183025182.db2.gz GEUXLYVUKJMSAC-KXUCPTDWSA-N 1 2 226.276 0.205 20 0 BCADLO OCC1CC[NH+](Cc2csnn2)CC1 ZINC000307021863 183040376 /nfs/dbraw/zinc/04/03/76/183040376.db2.gz DITKQZRYMLNZED-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC(CCCO)CC2)[nH]1 ZINC000360099944 183043260 /nfs/dbraw/zinc/04/32/60/183043260.db2.gz VOSIXPNOTYHYFF-UHFFFAOYSA-N 1 2 240.307 0.495 20 0 BCADLO OCC(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000266282292 183033341 /nfs/dbraw/zinc/03/33/41/183033341.db2.gz UOAHVKJWZQWSPD-UHFFFAOYSA-N 1 2 209.249 0.119 20 0 BCADLO OCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340166774 183058158 /nfs/dbraw/zinc/05/81/58/183058158.db2.gz HNVKRNSXKIKBHQ-SECBINFHSA-N 1 2 238.316 0.928 20 0 BCADLO OCC[N@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000336690536 183064245 /nfs/dbraw/zinc/06/42/45/183064245.db2.gz FZISLPLKSQKJFW-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO OCC[N@@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000336690536 183064250 /nfs/dbraw/zinc/06/42/50/183064250.db2.gz FZISLPLKSQKJFW-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO OCCN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000267107907 183068696 /nfs/dbraw/zinc/06/86/96/183068696.db2.gz YBSHIDDQESNONW-UHFFFAOYSA-N 1 2 223.276 0.145 20 0 BCADLO OCCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309528886 183086420 /nfs/dbraw/zinc/08/64/20/183086420.db2.gz BLJNJTLOLYDSJR-SNVBAGLBSA-N 1 2 225.292 0.386 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](CO)CC2)[nH]1 ZINC000331545158 183118058 /nfs/dbraw/zinc/11/80/58/183118058.db2.gz AWRRFMLIKYYFLW-MRVPVSSYSA-N 1 2 226.280 0.105 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](CO)CC2)[nH]1 ZINC000331545158 183118061 /nfs/dbraw/zinc/11/80/61/183118061.db2.gz AWRRFMLIKYYFLW-MRVPVSSYSA-N 1 2 226.280 0.105 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000306308377 183118870 /nfs/dbraw/zinc/11/88/70/183118870.db2.gz HOHDSOJURHTJJO-MRVPVSSYSA-N 1 2 213.306 0.742 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000306308377 183118872 /nfs/dbraw/zinc/11/88/72/183118872.db2.gz HOHDSOJURHTJJO-MRVPVSSYSA-N 1 2 213.306 0.742 20 0 BCADLO OCCc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000336666556 183100790 /nfs/dbraw/zinc/10/07/90/183100790.db2.gz FRLAJHZUYFAAED-UHFFFAOYSA-N 1 2 218.260 0.952 20 0 BCADLO OC[C@@]1([NH2+]Cc2cscn2)CCOC1 ZINC000308517579 183134270 /nfs/dbraw/zinc/13/42/70/183134270.db2.gz OSINNCJFGLTUBI-VIFPVBQESA-N 1 2 214.290 0.384 20 0 BCADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCOC1 ZINC000309487752 183137116 /nfs/dbraw/zinc/13/71/16/183137116.db2.gz HCZUJPLAKMRJAJ-ZJUUUORDSA-N 1 2 225.292 0.144 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000088094197 183128501 /nfs/dbraw/zinc/12/85/01/183128501.db2.gz CSJSHMOHFHRUBT-LBPRGKRZSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000088094197 183128502 /nfs/dbraw/zinc/12/85/02/183128502.db2.gz CSJSHMOHFHRUBT-LBPRGKRZSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364035420 183129007 /nfs/dbraw/zinc/12/90/07/183129007.db2.gz PONJXKMSXMHXDC-WDEREUQCSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cn1 ZINC000364035420 183129009 /nfs/dbraw/zinc/12/90/09/183129009.db2.gz PONJXKMSXMHXDC-WDEREUQCSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@H]1CC(F)(F)CN1CCn1cc[nH+]c1 ZINC000364606907 183147164 /nfs/dbraw/zinc/14/71/64/183147164.db2.gz KWKGFPZYGSPUOD-SECBINFHSA-N 1 2 231.246 0.585 20 0 BCADLO OC[C@]1(F)CC[N@H+](Cc2cncnc2)C1 ZINC000338997558 183158655 /nfs/dbraw/zinc/15/86/55/183158655.db2.gz FDSYNBUMRRZDGT-JTQLQIEISA-N 1 2 211.240 0.383 20 0 BCADLO OC[C@]1(F)CC[N@@H+](Cc2cncnc2)C1 ZINC000338997558 183158656 /nfs/dbraw/zinc/15/86/56/183158656.db2.gz FDSYNBUMRRZDGT-JTQLQIEISA-N 1 2 211.240 0.383 20 0 BCADLO OCc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000168740022 183162979 /nfs/dbraw/zinc/16/29/79/183162979.db2.gz VOYDQEPCSHCCLR-ZDUSSCGKSA-N 1 2 237.299 0.372 20 0 BCADLO OCc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000168740022 183162982 /nfs/dbraw/zinc/16/29/82/183162982.db2.gz VOYDQEPCSHCCLR-ZDUSSCGKSA-N 1 2 237.299 0.372 20 0 BCADLO OCc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000168740116 183163831 /nfs/dbraw/zinc/16/38/31/183163831.db2.gz VOYDQEPCSHCCLR-CYBMUJFWSA-N 1 2 237.299 0.372 20 0 BCADLO OCc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000168740116 183163833 /nfs/dbraw/zinc/16/38/33/183163833.db2.gz VOYDQEPCSHCCLR-CYBMUJFWSA-N 1 2 237.299 0.372 20 0 BCADLO O[C@@H](CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000308905481 183182386 /nfs/dbraw/zinc/18/23/86/183182386.db2.gz DHPUZTGUIDVGBR-UWVGGRQHSA-N 1 2 208.261 0.891 20 0 BCADLO OCc1ccc(NCc2cncnc2)[nH+]c1 ZINC000336670760 183165922 /nfs/dbraw/zinc/16/59/22/183165922.db2.gz HZMPSSDVDWFHIB-UHFFFAOYSA-N 1 2 216.244 0.976 20 0 BCADLO CCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000299355511 169053547 /nfs/dbraw/zinc/05/35/47/169053547.db2.gz DQXBTRSLYCEULY-UHFFFAOYSA-N 1 2 210.281 0.935 20 0 BCADLO CCCN(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000282949123 169058439 /nfs/dbraw/zinc/05/84/39/169058439.db2.gz DVMIYKNIOUPEEF-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000277589459 183200336 /nfs/dbraw/zinc/20/03/36/183200336.db2.gz DEMFTADFMPEYQP-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000277589459 183200340 /nfs/dbraw/zinc/20/03/40/183200340.db2.gz DEMFTADFMPEYQP-GFCCVEGCSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000332199693 183201055 /nfs/dbraw/zinc/20/10/55/183201055.db2.gz ZSOUZCWTTQFUIU-CYBMUJFWSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000332199693 183201056 /nfs/dbraw/zinc/20/10/56/183201056.db2.gz ZSOUZCWTTQFUIU-CYBMUJFWSA-N 1 2 244.298 0.834 20 0 BCADLO O[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000277329912 183208446 /nfs/dbraw/zinc/20/84/46/183208446.db2.gz DSYHEMNDIGBXFU-VXGBXAGGSA-N 1 2 231.255 0.172 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]12 ZINC000308807801 183203428 /nfs/dbraw/zinc/20/34/28/183203428.db2.gz MVABAXXZMJLFNK-FKTZTGRPSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]12 ZINC000308807801 183203429 /nfs/dbraw/zinc/20/34/29/183203429.db2.gz MVABAXXZMJLFNK-FKTZTGRPSA-N 1 2 225.317 0.741 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1n[nH]c(SC)n1 ZINC000359304347 169076172 /nfs/dbraw/zinc/07/61/72/169076172.db2.gz GSVWAAWLRUHYQG-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1n[nH]c(SC)n1 ZINC000359304347 169076173 /nfs/dbraw/zinc/07/61/73/169076173.db2.gz GSVWAAWLRUHYQG-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO CCC[N@H+](C)CC(=O)Nc1nc(SC)n[nH]1 ZINC000359304347 169076175 /nfs/dbraw/zinc/07/61/75/169076175.db2.gz GSVWAAWLRUHYQG-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO CCC[N@@H+](C)CC(=O)Nc1nc(SC)n[nH]1 ZINC000359304347 169076178 /nfs/dbraw/zinc/07/61/78/169076178.db2.gz GSVWAAWLRUHYQG-UHFFFAOYSA-N 1 2 243.336 0.807 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3csnn3)C[C@H]12 ZINC000308807804 183206659 /nfs/dbraw/zinc/20/66/59/183206659.db2.gz MVABAXXZMJLFNK-UJNFCWOMSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3csnn3)C[C@H]12 ZINC000308807804 183206662 /nfs/dbraw/zinc/20/66/62/183206662.db2.gz MVABAXXZMJLFNK-UJNFCWOMSA-N 1 2 225.317 0.741 20 0 BCADLO O[C@H](C[N@@H+]1CCO[C@H]2C[C@H]21)CC(F)(F)F ZINC000368634099 183222382 /nfs/dbraw/zinc/22/23/82/183222382.db2.gz COPQPUDHOOLWHU-RNJXMRFFSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](C[N@H+]1CCO[C@H]2C[C@H]21)CC(F)(F)F ZINC000368634099 183222383 /nfs/dbraw/zinc/22/23/83/183222383.db2.gz COPQPUDHOOLWHU-RNJXMRFFSA-N 1 2 225.210 0.773 20 0 BCADLO O[C@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000308905477 183226179 /nfs/dbraw/zinc/22/61/79/183226179.db2.gz DHPUZTGUIDVGBR-NXEZZACHSA-N 1 2 208.261 0.891 20 0 BCADLO O[C@H](COCC(F)(F)F)Cn1cc[nH+]c1 ZINC000292502127 183226286 /nfs/dbraw/zinc/22/62/86/183226286.db2.gz SQIOPYKSCUGAGM-ZETCQYMHSA-N 1 2 224.182 0.823 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000294813026 183208693 /nfs/dbraw/zinc/20/86/93/183208693.db2.gz OCAMVFHOYLQYAO-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000294813026 183208695 /nfs/dbraw/zinc/20/86/95/183208695.db2.gz OCAMVFHOYLQYAO-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO CCC[N@H+](CC(=O)NC)CC(=O)N(C)C(C)C ZINC000056509175 169094557 /nfs/dbraw/zinc/09/45/57/169094557.db2.gz PQWYCMIYUGKKGV-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N(C)C(C)C ZINC000056509175 169094559 /nfs/dbraw/zinc/09/45/59/169094559.db2.gz PQWYCMIYUGKKGV-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCC[N@H+](CC(F)F)C[C@@H](O)COC ZINC000126508865 169109429 /nfs/dbraw/zinc/10/94/29/169109429.db2.gz XEAUSMPZXNCSCT-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO CCC[N@@H+](CC(F)F)C[C@@H](O)COC ZINC000126508865 169109432 /nfs/dbraw/zinc/10/94/32/169109432.db2.gz XEAUSMPZXNCSCT-MRVPVSSYSA-N 1 2 211.252 0.971 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000093483466 183243163 /nfs/dbraw/zinc/24/31/63/183243163.db2.gz PYIVXRCMPIAQJS-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000093483466 183243164 /nfs/dbraw/zinc/24/31/64/183243164.db2.gz PYIVXRCMPIAQJS-PHIMTYICSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@]1(C2CC2)CC[N@H+](Cc2csnn2)C1 ZINC000365939163 183250325 /nfs/dbraw/zinc/25/03/25/183250325.db2.gz ZXBPUEZRIKFQFU-SNVBAGLBSA-N 1 2 225.317 0.885 20 0 BCADLO O[C@]1(C2CC2)CC[N@@H+](Cc2csnn2)C1 ZINC000365939163 183250326 /nfs/dbraw/zinc/25/03/26/183250326.db2.gz ZXBPUEZRIKFQFU-SNVBAGLBSA-N 1 2 225.317 0.885 20 0 BCADLO CCC[N@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000338257620 169137568 /nfs/dbraw/zinc/13/75/68/169137568.db2.gz SIKGFNGSXZBYKF-UHFFFAOYSA-N 1 2 237.250 0.549 20 0 BCADLO CCC[N@@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000338257620 169137571 /nfs/dbraw/zinc/13/75/71/169137571.db2.gz SIKGFNGSXZBYKF-UHFFFAOYSA-N 1 2 237.250 0.549 20 0 BCADLO Oc1cc(F)cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278410750 183258248 /nfs/dbraw/zinc/25/82/48/183258248.db2.gz PZRZEJMOJOFKQC-GHMZBOCLSA-N 1 2 227.235 0.069 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)[nH]1 ZINC000340911520 183306104 /nfs/dbraw/zinc/30/61/04/183306104.db2.gz IHWNHVCWDCLRRR-BDAKNGLRSA-N 1 2 238.291 0.369 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)[nH]1 ZINC000340911520 183306108 /nfs/dbraw/zinc/30/61/08/183306108.db2.gz IHWNHVCWDCLRRR-BDAKNGLRSA-N 1 2 238.291 0.369 20 0 BCADLO CCC[N@H+](CCO)Cc1ncnn1CC(F)F ZINC000362959764 169167949 /nfs/dbraw/zinc/16/79/49/169167949.db2.gz DQWRYGMUKVRPKV-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO CCC[N@@H+](CCO)Cc1ncnn1CC(F)F ZINC000362959764 169167952 /nfs/dbraw/zinc/16/79/52/169167952.db2.gz DQWRYGMUKVRPKV-UHFFFAOYSA-N 1 2 248.277 0.748 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)[nH]1 ZINC000331403932 183306727 /nfs/dbraw/zinc/30/67/27/183306727.db2.gz BFHOPARPCKEUNB-YIZRAAEISA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)[nH]1 ZINC000331403932 183306728 /nfs/dbraw/zinc/30/67/28/183306728.db2.gz BFHOPARPCKEUNB-YIZRAAEISA-N 1 2 238.291 0.103 20 0 BCADLO c1[nH]c2nccnc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366558239 183329299 /nfs/dbraw/zinc/32/92/99/183329299.db2.gz KFSYEMGATFUTST-VHSXEESVSA-N 1 2 230.271 0.883 20 0 BCADLO c1[nH]c2nccnc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366558239 183329300 /nfs/dbraw/zinc/32/93/00/183329300.db2.gz KFSYEMGATFUTST-VHSXEESVSA-N 1 2 230.271 0.883 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](COC(F)F)C2)[nH]1 ZINC000353018495 183307723 /nfs/dbraw/zinc/30/77/23/183307723.db2.gz DZYJVQLEPYVEGE-ZCFIWIBFSA-N 1 2 248.233 0.571 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](COC(F)F)C2)[nH]1 ZINC000353018495 183307726 /nfs/dbraw/zinc/30/77/26/183307726.db2.gz DZYJVQLEPYVEGE-ZCFIWIBFSA-N 1 2 248.233 0.571 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000341980460 183307800 /nfs/dbraw/zinc/30/78/00/183307800.db2.gz ZNWQJZXVJAPURE-JTQLQIEISA-N 1 2 224.264 0.265 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000341980460 183307803 /nfs/dbraw/zinc/30/78/03/183307803.db2.gz ZNWQJZXVJAPURE-JTQLQIEISA-N 1 2 224.264 0.265 20 0 BCADLO CCCNC(=O)CNc1cc(C)[nH+]cn1 ZINC000040727224 169230676 /nfs/dbraw/zinc/23/06/76/169230676.db2.gz IDSLIYJEHLHWTK-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000048577176 169221186 /nfs/dbraw/zinc/22/11/86/169221186.db2.gz WBSGXBDSEYYYNF-NSHDSACASA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000048577176 169221188 /nfs/dbraw/zinc/22/11/88/169221188.db2.gz WBSGXBDSEYYYNF-NSHDSACASA-N 1 2 241.335 0.113 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1C ZINC000371184294 169299335 /nfs/dbraw/zinc/29/93/35/169299335.db2.gz NALMADIMTRILFV-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCNC(=O)C[C@H]1C ZINC000371184294 169299337 /nfs/dbraw/zinc/29/93/37/169299337.db2.gz 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0.863 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1nnc(C)o1 ZINC000180720887 134331331 /nfs/dbraw/zinc/33/13/31/134331331.db2.gz NCSQGJXOJVOCIV-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181378341 134336145 /nfs/dbraw/zinc/33/61/45/134336145.db2.gz OZANEEIORNPLEV-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181378341 134336146 /nfs/dbraw/zinc/33/61/46/134336146.db2.gz OZANEEIORNPLEV-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC000182217877 134343138 /nfs/dbraw/zinc/34/31/38/134343138.db2.gz XHVFMVKPVOZKGI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC000182217877 134343139 /nfs/dbraw/zinc/34/31/39/134343139.db2.gz XHVFMVKPVOZKGI-VHSXEESVSA-N 1 2 231.292 0.285 20 0 BCADLO CCC[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC000279911071 169515736 /nfs/dbraw/zinc/51/57/36/169515736.db2.gz NDMGKYYHPUSSKA-NSHDSACASA-N 1 2 239.319 0.630 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C(=O)NC)C(C)C)[nH]1 ZINC000184624778 134366833 /nfs/dbraw/zinc/36/68/33/134366833.db2.gz QPNSYDUEHFEWCA-JTQLQIEISA-N 1 2 239.323 0.227 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CCC(C)(C)C)CC1 ZINC000226642770 134368564 /nfs/dbraw/zinc/36/85/64/134368564.db2.gz WKIIXKYHOXHEIP-UHFFFAOYSA-N 1 2 248.392 1.000 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cncs1 ZINC000226955610 134371170 /nfs/dbraw/zinc/37/11/70/134371170.db2.gz MVNUVGZXGZDZSK-UHFFFAOYSA-N 1 2 208.246 0.796 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)CC(C)(C)O ZINC000227016980 134373732 /nfs/dbraw/zinc/37/37/32/134373732.db2.gz QUZPPERUNLKHKQ-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)CC(C)(C)O ZINC000227016980 134373733 /nfs/dbraw/zinc/37/37/33/134373733.db2.gz QUZPPERUNLKHKQ-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO CN(Cc1cnn(C)c1)Cc1[nH]cc[nH+]1 ZINC000111194627 383840064 /nfs/dbraw/zinc/84/00/64/383840064.db2.gz OVSGVWCLTKWBIS-UHFFFAOYSA-N 1 2 205.265 0.775 20 0 BCADLO O=S1CC[NH+](CCc2ccncc2)CC1 ZINC000111223012 383844054 /nfs/dbraw/zinc/84/40/54/383844054.db2.gz PHCADYQBNJFKMH-UHFFFAOYSA-N 1 2 224.329 0.688 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000066564981 383870692 /nfs/dbraw/zinc/87/06/92/383870692.db2.gz KOLVVMDEIAQBFM-SECBINFHSA-N 1 2 236.319 0.519 20 0 BCADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000066564981 383870700 /nfs/dbraw/zinc/87/07/00/383870700.db2.gz KOLVVMDEIAQBFM-SECBINFHSA-N 1 2 236.319 0.519 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000112336373 383914969 /nfs/dbraw/zinc/91/49/69/383914969.db2.gz ARXHTCZDNRCJPS-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000112336373 383914977 /nfs/dbraw/zinc/91/49/77/383914977.db2.gz ARXHTCZDNRCJPS-SNVBAGLBSA-N 1 2 237.303 0.805 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000112336602 383917281 /nfs/dbraw/zinc/91/72/81/383917281.db2.gz QFGBBBIRDCZDOR-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000112336602 383917291 /nfs/dbraw/zinc/91/72/91/383917291.db2.gz QFGBBBIRDCZDOR-SECBINFHSA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000310074295 383882917 /nfs/dbraw/zinc/88/29/17/383882917.db2.gz CIFQTOBNIPNTQE-RCWTZXSCSA-N 1 2 243.303 0.162 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000310074295 383882926 /nfs/dbraw/zinc/88/29/26/383882926.db2.gz CIFQTOBNIPNTQE-RCWTZXSCSA-N 1 2 243.303 0.162 20 0 BCADLO CC[N@H+](CCC(=O)OC)Cc1nonc1C ZINC000070269506 383902912 /nfs/dbraw/zinc/90/29/12/383902912.db2.gz QQZVHASZJGGEMH-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CC[N@@H+](CCC(=O)OC)Cc1nonc1C ZINC000070269506 383902916 /nfs/dbraw/zinc/90/29/16/383902916.db2.gz QQZVHASZJGGEMH-UHFFFAOYSA-N 1 2 227.264 0.763 20 0 BCADLO CC(C)(C)NC(=O)C[NH2+]Cc1ncc[nH]1 ZINC000067666978 383903042 /nfs/dbraw/zinc/90/30/42/383903042.db2.gz RXHDLZLRYWRBFT-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ncccc1O ZINC000569391619 383984681 /nfs/dbraw/zinc/98/46/81/383984681.db2.gz VEMLZBVTWNPXOV-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ncccc1O ZINC000569391619 383984684 /nfs/dbraw/zinc/98/46/84/383984684.db2.gz VEMLZBVTWNPXOV-QMMMGPOBSA-N 1 2 221.260 0.108 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000407949405 383962011 /nfs/dbraw/zinc/96/20/11/383962011.db2.gz HOMWHIVCEFVKQJ-VHSXEESVSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000407949405 383962014 /nfs/dbraw/zinc/96/20/14/383962014.db2.gz HOMWHIVCEFVKQJ-VHSXEESVSA-N 1 2 238.335 0.580 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Cc1cc[nH]n1 ZINC000334841833 383965608 /nfs/dbraw/zinc/96/56/08/383965608.db2.gz VGOVTDGQFMEGFY-UHFFFAOYSA-N 1 2 216.244 0.716 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCNC1=O ZINC000050212933 383970882 /nfs/dbraw/zinc/97/08/82/383970882.db2.gz CRORKBAENGGYKB-QMMMGPOBSA-N 1 2 246.274 0.054 20 0 BCADLO C[C@@H]1OCC[N@H+](C[C@H]2CN(C)C(=O)O2)[C@H]1C 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ZINC000078639702 384075400 /nfs/dbraw/zinc/07/54/00/384075400.db2.gz AURGOCOLIMXCET-ZETCQYMHSA-N 1 2 248.373 0.974 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccon2)C1 ZINC000332645425 384097516 /nfs/dbraw/zinc/09/75/16/384097516.db2.gz BSIBHNKCZDQZCZ-UWVGGRQHSA-N 1 2 212.249 0.256 20 0 BCADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccon2)C1 ZINC000332645425 384097519 /nfs/dbraw/zinc/09/75/19/384097519.db2.gz BSIBHNKCZDQZCZ-UWVGGRQHSA-N 1 2 212.249 0.256 20 0 BCADLO COC(=O)CC[N@H+](C)Cc1nccn1C ZINC000050067928 384104571 /nfs/dbraw/zinc/10/45/71/384104571.db2.gz IFENYVWPPFWJFV-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO COC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000050067928 384104575 /nfs/dbraw/zinc/10/45/75/384104575.db2.gz IFENYVWPPFWJFV-UHFFFAOYSA-N 1 2 211.265 0.415 20 0 BCADLO COC(=O)CN(Cc1[nH+]ccn1C)C(C)C ZINC000050063591 384104784 /nfs/dbraw/zinc/10/47/84/384104784.db2.gz CENLRQDNJQJLOQ-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1c(NC(=O)[C@H](C)[NH+]2CC(C)C2)nnn1C ZINC000572616208 384105211 /nfs/dbraw/zinc/10/52/11/384105211.db2.gz RNMSGUCIZCTWLO-VIFPVBQESA-N 1 2 237.307 0.402 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCO1 ZINC000291185261 384117101 /nfs/dbraw/zinc/11/71/01/384117101.db2.gz CIVOFBVPFIABJN-SECBINFHSA-N 1 2 209.249 0.215 20 0 BCADLO C[C@H]1CC(NC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000560414598 384122836 /nfs/dbraw/zinc/12/28/36/384122836.db2.gz ZYKJVIBJVWQRPC-UWVGGRQHSA-N 1 2 237.303 0.955 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C1CC1 ZINC000227770378 134393878 /nfs/dbraw/zinc/39/38/78/134393878.db2.gz CMNQAFGYJFOSSI-KOLCDFICSA-N 1 2 240.303 0.148 20 0 BCADLO CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1[nH]cc[nH+]1 ZINC000140597539 384150829 /nfs/dbraw/zinc/15/08/29/384150829.db2.gz CKLNWOSDHBIFTA-VXNVDRBHSA-N 1 2 238.291 0.502 20 0 BCADLO CC[C@H](NC(=O)[C@@H](C)NC(C)=O)c1[nH]cc[nH+]1 ZINC000140597399 384151603 /nfs/dbraw/zinc/15/16/03/384151603.db2.gz CKLNWOSDHBIFTA-APPZFPTMSA-N 1 2 238.291 0.502 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccnn1C ZINC000091950458 384157700 /nfs/dbraw/zinc/15/77/00/384157700.db2.gz SFKVBZLXAVXWEF-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccnn1C ZINC000091950458 384157702 /nfs/dbraw/zinc/15/77/02/384157702.db2.gz SFKVBZLXAVXWEF-UHFFFAOYSA-N 1 2 224.308 0.508 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)o1 ZINC000092006258 384160387 /nfs/dbraw/zinc/16/03/87/384160387.db2.gz OSWNKVCWDMAHNT-MWLCHTKSSA-N 1 2 238.287 0.663 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)o1 ZINC000092006258 384160390 /nfs/dbraw/zinc/16/03/90/384160390.db2.gz OSWNKVCWDMAHNT-MWLCHTKSSA-N 1 2 238.287 0.663 20 0 BCADLO O=C1C[N@H+](CCn2cncn2)[C@@H]2CCCC[C@@H]2N1 ZINC000268297564 384166883 /nfs/dbraw/zinc/16/68/83/384166883.db2.gz UBWKWTZCDLTIBP-WDEREUQCSA-N 1 2 249.318 0.021 20 0 BCADLO O=C1C[N@@H+](CCn2cncn2)[C@@H]2CCCC[C@@H]2N1 ZINC000268297564 384166885 /nfs/dbraw/zinc/16/68/85/384166885.db2.gz UBWKWTZCDLTIBP-WDEREUQCSA-N 1 2 249.318 0.021 20 0 BCADLO CO[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235002736 384168816 /nfs/dbraw/zinc/16/88/16/384168816.db2.gz SPRBOKCGJDHUHK-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO CO[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235002736 384168818 /nfs/dbraw/zinc/16/88/18/384168818.db2.gz SPRBOKCGJDHUHK-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000375943641 384177089 /nfs/dbraw/zinc/17/70/89/384177089.db2.gz WFWPCKDWUPJQLX-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000375943641 384177090 /nfs/dbraw/zinc/17/70/90/384177090.db2.gz WFWPCKDWUPJQLX-MGPLVRAMSA-N 1 2 247.360 0.783 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000157154788 384185670 /nfs/dbraw/zinc/18/56/70/384185670.db2.gz WGRRNWFSFIDJMO-JTQLQIEISA-N 1 2 239.323 0.458 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000157154788 384185676 /nfs/dbraw/zinc/18/56/76/384185676.db2.gz WGRRNWFSFIDJMO-JTQLQIEISA-N 1 2 239.323 0.458 20 0 BCADLO C[N@H+](Cc1cccnc1)[C@@H]1CCOC1=O ZINC000132561987 384235472 /nfs/dbraw/zinc/23/54/72/384235472.db2.gz UWHWLAZHMNTXMK-SNVBAGLBSA-N 1 2 206.245 0.829 20 0 BCADLO C[N@@H+](Cc1cccnc1)[C@@H]1CCOC1=O ZINC000132561987 384235474 /nfs/dbraw/zinc/23/54/74/384235474.db2.gz UWHWLAZHMNTXMK-SNVBAGLBSA-N 1 2 206.245 0.829 20 0 BCADLO COC(=O)[C@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000093441014 384238793 /nfs/dbraw/zinc/23/87/93/384238793.db2.gz PZHURHDWKZZUHD-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000093441014 384238799 /nfs/dbraw/zinc/23/87/99/384238799.db2.gz PZHURHDWKZZUHD-SNVBAGLBSA-N 1 2 223.276 0.937 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)o1 ZINC000093441305 384240105 /nfs/dbraw/zinc/24/01/05/384240105.db2.gz OTJXRXBPRBEBHJ-ONGXEEELSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)o1 ZINC000093441305 384240107 /nfs/dbraw/zinc/24/01/07/384240107.db2.gz OTJXRXBPRBEBHJ-ONGXEEELSA-N 1 2 239.271 0.696 20 0 BCADLO NC(=O)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000077273946 384209870 /nfs/dbraw/zinc/20/98/70/384209870.db2.gz YWCNETWVOYIZJO-ZCFIWIBFSA-N 1 2 226.198 0.125 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000077273946 384209874 /nfs/dbraw/zinc/20/98/74/384209874.db2.gz YWCNETWVOYIZJO-ZCFIWIBFSA-N 1 2 226.198 0.125 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093084211 384210277 /nfs/dbraw/zinc/21/02/77/384210277.db2.gz MEWRMGMZLUYSNN-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093084211 384210280 /nfs/dbraw/zinc/21/02/80/384210280.db2.gz MEWRMGMZLUYSNN-UHFFFAOYSA-N 1 2 208.261 0.990 20 0 BCADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)NC1CCCC1 ZINC000118854658 384213817 /nfs/dbraw/zinc/21/38/17/384213817.db2.gz LZNDSJDEFONEDW-UHFFFAOYSA-N 1 2 248.330 0.827 20 0 BCADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)NC1CCCC1 ZINC000118854658 384213829 /nfs/dbraw/zinc/21/38/29/384213829.db2.gz LZNDSJDEFONEDW-UHFFFAOYSA-N 1 2 248.330 0.827 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc(CO)cn1 ZINC000291590836 384240213 /nfs/dbraw/zinc/24/02/13/384240213.db2.gz PTRZCOVULZKOKM-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO Cn1c[nH+]cc1CNc1ccc(OCCO)nc1 ZINC000158298230 384217625 /nfs/dbraw/zinc/21/76/25/384217625.db2.gz KIZWDRBPKRLZNW-UHFFFAOYSA-N 1 2 248.286 0.798 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1cnccn1 ZINC000402897698 384222898 /nfs/dbraw/zinc/22/28/98/384222898.db2.gz JLUFESHNSBJQPC-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1cnccn1 ZINC000402897698 384222905 /nfs/dbraw/zinc/22/29/05/384222905.db2.gz JLUFESHNSBJQPC-ZYHUDNBSSA-N 1 2 237.303 0.101 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000093528266 384248956 /nfs/dbraw/zinc/24/89/56/384248956.db2.gz PTJRMVJCTYLDHX-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000093528266 384248963 /nfs/dbraw/zinc/24/89/63/384248963.db2.gz PTJRMVJCTYLDHX-LBPRGKRZSA-N 1 2 239.319 0.576 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2nncn2C)[C@H]1C ZINC000558693833 384250266 /nfs/dbraw/zinc/25/02/66/384250266.db2.gz VSSONLOHBVVIMY-IUCAKERBSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2nncn2C)[C@H]1C ZINC000558693833 384250273 /nfs/dbraw/zinc/25/02/73/384250273.db2.gz VSSONLOHBVVIMY-IUCAKERBSA-N 1 2 238.291 0.199 20 0 BCADLO CC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158671321 384256830 /nfs/dbraw/zinc/25/68/30/384256830.db2.gz OPFPCUSFTPCKBZ-SECBINFHSA-N 1 2 201.266 0.047 20 0 BCADLO CC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158671321 384256835 /nfs/dbraw/zinc/25/68/35/384256835.db2.gz OPFPCUSFTPCKBZ-SECBINFHSA-N 1 2 201.266 0.047 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000093771550 384269714 /nfs/dbraw/zinc/26/97/14/384269714.db2.gz OZPCZLLNYJPPMS-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000093771550 384269719 /nfs/dbraw/zinc/26/97/19/384269719.db2.gz OZPCZLLNYJPPMS-JTQLQIEISA-N 1 2 222.292 0.510 20 0 BCADLO Cc1cncc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000074893305 384308754 /nfs/dbraw/zinc/30/87/54/384308754.db2.gz CBNRYZDFGCUINS-VIFPVBQESA-N 1 2 223.301 0.991 20 0 BCADLO Cc1nc(NCCc2nccs2)nc(N)[nH+]1 ZINC000304459134 384318044 /nfs/dbraw/zinc/31/80/44/384318044.db2.gz LYCMFPKHKMFBIE-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO Cc1nc(N)nc(NCCc2nccs2)[nH+]1 ZINC000304459134 384318046 /nfs/dbraw/zinc/31/80/46/384318046.db2.gz LYCMFPKHKMFBIE-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO Cc1nc(NCc2ccnn2C)nc(N)[nH+]1 ZINC000304465153 384322908 /nfs/dbraw/zinc/32/29/08/384322908.db2.gz MTZUKILETAANHE-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO Cc1nc(N)nc(NCc2ccnn2C)[nH+]1 ZINC000304465153 384322914 /nfs/dbraw/zinc/32/29/14/384322914.db2.gz MTZUKILETAANHE-UHFFFAOYSA-N 1 2 219.252 0.108 20 0 BCADLO Cc1nc(NCC(C)(C)CCO)nc(N)[nH+]1 ZINC000304403791 384280521 /nfs/dbraw/zinc/28/05/21/384280521.db2.gz BETQEGUEARXAAF-UHFFFAOYSA-N 1 2 225.296 0.583 20 0 BCADLO Cc1nc(N)nc(NCC(C)(C)CCO)[nH+]1 ZINC000304403791 384280526 /nfs/dbraw/zinc/28/05/26/384280526.db2.gz BETQEGUEARXAAF-UHFFFAOYSA-N 1 2 225.296 0.583 20 0 BCADLO O=C(c1nc[nH]n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000269609934 384288876 /nfs/dbraw/zinc/28/88/76/384288876.db2.gz RKHNTNKNRVQBJT-QMMMGPOBSA-N 1 2 246.274 0.895 20 0 BCADLO O=C(C[N@@H+]1CCC(=O)CC12CCC2)N1CCC1 ZINC000569589936 384290693 /nfs/dbraw/zinc/29/06/93/384290693.db2.gz RBFAWAGWFHKIGI-UHFFFAOYSA-N 1 2 236.315 0.806 20 0 BCADLO O=C(C[N@H+]1CCC(=O)CC12CCC2)N1CCC1 ZINC000569589936 384290695 /nfs/dbraw/zinc/29/06/95/384290695.db2.gz RBFAWAGWFHKIGI-UHFFFAOYSA-N 1 2 236.315 0.806 20 0 BCADLO COCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428011223 384303770 /nfs/dbraw/zinc/30/37/70/384303770.db2.gz OUNMLFGFBXVTHY-SNVBAGLBSA-N 1 2 237.303 0.741 20 0 BCADLO C[C@@H]1C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000076048566 384353675 /nfs/dbraw/zinc/35/36/75/384353675.db2.gz UPYLEFHPUJBCJS-ZJUUUORDSA-N 1 2 222.292 0.981 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000083995458 384354274 /nfs/dbraw/zinc/35/42/74/384354274.db2.gz XLQPREDSSUVKJU-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000083995458 384354281 /nfs/dbraw/zinc/35/42/81/384354281.db2.gz XLQPREDSSUVKJU-JTQLQIEISA-N 1 2 224.308 0.502 20 0 BCADLO CCCn1ncnc1C[N@@H+]1CC[C@H](O)C1 ZINC000083995540 384355187 /nfs/dbraw/zinc/35/51/87/384355187.db2.gz CYPHVJLTYYPBGP-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CCCn1ncnc1C[N@H+]1CC[C@H](O)C1 ZINC000083995540 384355199 /nfs/dbraw/zinc/35/51/99/384355199.db2.gz CYPHVJLTYYPBGP-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000083995435 384355632 /nfs/dbraw/zinc/35/56/32/384355632.db2.gz VEDVRNKZVVUUBP-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000083995435 384355642 /nfs/dbraw/zinc/35/56/42/384355642.db2.gz VEDVRNKZVVUUBP-SECBINFHSA-N 1 2 210.281 0.255 20 0 BCADLO Cn1cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081670 384360096 /nfs/dbraw/zinc/36/00/96/384360096.db2.gz PPNJWJAGCYIBHY-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO Cn1cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081670 384360105 /nfs/dbraw/zinc/36/01/05/384360105.db2.gz PPNJWJAGCYIBHY-UHFFFAOYSA-N 1 2 204.233 0.678 20 0 BCADLO CC[C@H](CO)N(C)C(=O)CCn1cc[nH+]c1 ZINC000294057733 384366085 /nfs/dbraw/zinc/36/60/85/384366085.db2.gz JVSSRWQEQOUOER-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCn2nccc21 ZINC000560818867 384367163 /nfs/dbraw/zinc/36/71/63/384367163.db2.gz PSOHGXNWDAZVHV-UHFFFAOYSA-N 1 2 231.259 0.206 20 0 BCADLO C[NH+](C)[C@@H](CNC(=O)c1ncn[nH]1)c1ccco1 ZINC000095040638 384327240 /nfs/dbraw/zinc/32/72/40/384327240.db2.gz BIPBMTKWZYZRNU-QMMMGPOBSA-N 1 2 249.274 0.430 20 0 BCADLO C[NH+](C)[C@@H](CNC(=O)c1nc[nH]n1)c1ccco1 ZINC000095040638 384327243 /nfs/dbraw/zinc/32/72/43/384327243.db2.gz BIPBMTKWZYZRNU-QMMMGPOBSA-N 1 2 249.274 0.430 20 0 BCADLO Cc1nc(NC[C@H]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000304483741 384327586 /nfs/dbraw/zinc/32/75/86/384327586.db2.gz ORSMKWJIIGLXOJ-JGVFFNPUSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CC[C@@H](O)C2)[nH+]1 ZINC000304483741 384327591 /nfs/dbraw/zinc/32/75/91/384327591.db2.gz ORSMKWJIIGLXOJ-JGVFFNPUSA-N 1 2 223.280 0.335 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000332669060 384327727 /nfs/dbraw/zinc/32/77/27/384327727.db2.gz QHIRMMXRCVJAHC-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000332669060 384327731 /nfs/dbraw/zinc/32/77/31/384327731.db2.gz QHIRMMXRCVJAHC-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCNC(=O)C(C)C ZINC000179674774 384329479 /nfs/dbraw/zinc/32/94/79/384329479.db2.gz IMZUEQKEUPZYEO-JTQLQIEISA-N 1 2 244.335 0.642 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCNC(=O)C(C)C ZINC000179674774 384329483 /nfs/dbraw/zinc/32/94/83/384329483.db2.gz IMZUEQKEUPZYEO-JTQLQIEISA-N 1 2 244.335 0.642 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000175091012 384396018 /nfs/dbraw/zinc/39/60/18/384396018.db2.gz BQYMZRRIRVQQLO-QMMMGPOBSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000175091012 384396024 /nfs/dbraw/zinc/39/60/24/384396024.db2.gz BQYMZRRIRVQQLO-QMMMGPOBSA-N 1 2 241.291 0.734 20 0 BCADLO C[NH+](C)C1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000135028917 384407678 /nfs/dbraw/zinc/40/76/78/384407678.db2.gz MIBHIBFDTYZUCS-JTQLQIEISA-N 1 2 248.330 0.602 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(c2cccs2)CC1 ZINC000121434086 384417291 /nfs/dbraw/zinc/41/72/91/384417291.db2.gz NNZPVWKHIWYVIV-VIFPVBQESA-N 1 2 239.344 0.744 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000096592941 384468131 /nfs/dbraw/zinc/46/81/31/384468131.db2.gz JEITWGKDAPFVIR-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000096592941 384468135 /nfs/dbraw/zinc/46/81/35/384468135.db2.gz JEITWGKDAPFVIR-VIFPVBQESA-N 1 2 239.275 0.763 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148910761 384471646 /nfs/dbraw/zinc/47/16/46/384471646.db2.gz RIZRRRJNJUKIEZ-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148910761 384471650 /nfs/dbraw/zinc/47/16/50/384471650.db2.gz RIZRRRJNJUKIEZ-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000148811303 384472172 /nfs/dbraw/zinc/47/21/72/384472172.db2.gz POOVQYSAPGHJAT-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000148811303 384472179 /nfs/dbraw/zinc/47/21/79/384472179.db2.gz POOVQYSAPGHJAT-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)c1ccccc1C[N@H+](C)CC(N)=O ZINC000096730920 384473820 /nfs/dbraw/zinc/47/38/20/384473820.db2.gz DKGGGUMGFMPYML-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO COC(=O)c1ccccc1C[N@@H+](C)CC(N)=O ZINC000096730920 384473823 /nfs/dbraw/zinc/47/38/23/384473823.db2.gz DKGGGUMGFMPYML-UHFFFAOYSA-N 1 2 236.271 0.390 20 0 BCADLO O=C1NCC[C@H]1CC[N@H+]1CCC(F)(F)C1 ZINC000569620149 384477127 /nfs/dbraw/zinc/47/71/27/384477127.db2.gz ZBZHUOBWPLHBHT-QMMMGPOBSA-N 1 2 218.247 0.854 20 0 BCADLO O=C1NCC[C@H]1CC[N@@H+]1CCC(F)(F)C1 ZINC000569620149 384477130 /nfs/dbraw/zinc/47/71/30/384477130.db2.gz ZBZHUOBWPLHBHT-QMMMGPOBSA-N 1 2 218.247 0.854 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000363491180 384485931 /nfs/dbraw/zinc/48/59/31/384485931.db2.gz SURXQHDJMBOVCH-DTWKUNHWSA-N 1 2 211.265 0.977 20 0 BCADLO CC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000363491180 384485935 /nfs/dbraw/zinc/48/59/35/384485935.db2.gz SURXQHDJMBOVCH-DTWKUNHWSA-N 1 2 211.265 0.977 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N1CCCC1 ZINC000122423866 384481451 /nfs/dbraw/zinc/48/14/51/384481451.db2.gz USEATQLRWKONSC-UHFFFAOYSA-N 1 2 208.265 0.726 20 0 BCADLO COC(=O)NCC(=O)Nc1cc[nH+]c(C)c1 ZINC000097105842 384499359 /nfs/dbraw/zinc/49/93/59/384499359.db2.gz SAJJDUNRVMZPBM-UHFFFAOYSA-N 1 2 223.232 0.685 20 0 BCADLO Cn1cc(C[NH2+]Cc2cnn3ccccc23)nn1 ZINC000353032582 384500355 /nfs/dbraw/zinc/50/03/55/384500355.db2.gz GKXHWLCBIBGGPC-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000135037067 384487136 /nfs/dbraw/zinc/48/71/36/384487136.db2.gz VPYMYYPDOYZMEC-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000135037067 384487139 /nfs/dbraw/zinc/48/71/39/384487139.db2.gz VPYMYYPDOYZMEC-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CCN(CC)C(=O)NCCn1cc[nH+]c1 ZINC000079253936 384488026 /nfs/dbraw/zinc/48/80/26/384488026.db2.gz QMIHKTSNSIIBPU-UHFFFAOYSA-N 1 2 210.281 0.935 20 0 BCADLO CC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000037329164 384492823 /nfs/dbraw/zinc/49/28/23/384492823.db2.gz LLVCZWLOAUKQSW-NSHDSACASA-N 1 2 223.276 0.613 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[C@@H](O)C1 ZINC000236529279 384513776 /nfs/dbraw/zinc/51/37/76/384513776.db2.gz VDGQPWKXFUJZQX-GHMZBOCLSA-N 1 2 237.303 0.550 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C)n2C)C1 ZINC000170817802 384520185 /nfs/dbraw/zinc/52/01/85/384520185.db2.gz DEQANBVIWQIRCX-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000170817802 384520193 /nfs/dbraw/zinc/52/01/93/384520193.db2.gz DEQANBVIWQIRCX-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO c1nnc(CCNc2cc(NC3CC3)nc[nH+]2)[nH]1 ZINC000556840022 384522551 /nfs/dbraw/zinc/52/25/51/384522551.db2.gz NUEXUKBRNCRBBX-UHFFFAOYSA-N 1 2 245.290 0.824 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000294071627 384525766 /nfs/dbraw/zinc/52/57/66/384525766.db2.gz KWPGAIWLCRAWOI-VHSXEESVSA-N 1 2 236.319 0.784 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000153814604 384527836 /nfs/dbraw/zinc/52/78/36/384527836.db2.gz MOAPAICHAIASAL-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000153814604 384527842 /nfs/dbraw/zinc/52/78/42/384527842.db2.gz MOAPAICHAIASAL-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccnc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000080118752 384531519 /nfs/dbraw/zinc/53/15/19/384531519.db2.gz VECGHRLZYRAMBY-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000080118752 384531523 /nfs/dbraw/zinc/53/15/23/384531523.db2.gz VECGHRLZYRAMBY-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO C[C@@H](CCO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000123282477 384545729 /nfs/dbraw/zinc/54/57/29/384545729.db2.gz UMRDCGPTQXLGJR-JTQLQIEISA-N 1 2 247.298 0.764 20 0 BCADLO c1ncn(CCNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000517888796 384549038 /nfs/dbraw/zinc/54/90/38/384549038.db2.gz XHSNVPRWLLYUKR-UHFFFAOYSA-N 1 2 245.290 0.755 20 0 BCADLO c1ncn(CCNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000517888796 384549047 /nfs/dbraw/zinc/54/90/47/384549047.db2.gz XHSNVPRWLLYUKR-UHFFFAOYSA-N 1 2 245.290 0.755 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cc[nH]n1 ZINC000647181318 384550200 /nfs/dbraw/zinc/55/02/00/384550200.db2.gz VVWGLYAPOCIDNJ-UHFFFAOYSA-N 1 2 219.248 0.498 20 0 BCADLO Cc1n[nH]c(C)c1C[NH+]1CCN(C)CC1 ZINC000335309468 384559247 /nfs/dbraw/zinc/55/92/47/384559247.db2.gz KWOSBHNORFKNJC-UHFFFAOYSA-N 1 2 208.309 0.774 20 0 BCADLO Cc1nc(N2CCC[C@H](CC(N)=O)C2)cc[nH+]1 ZINC000080682916 384573647 /nfs/dbraw/zinc/57/36/47/384573647.db2.gz LHRWYAGOQBFFDJ-SNVBAGLBSA-N 1 2 234.303 0.877 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)OC)CCCO1 ZINC000300806627 384584447 /nfs/dbraw/zinc/58/44/47/384584447.db2.gz BLIJAMMMBDJJCE-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)OC)CCCO1 ZINC000300806627 384584448 /nfs/dbraw/zinc/58/44/48/384584448.db2.gz BLIJAMMMBDJJCE-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000123557353 384567205 /nfs/dbraw/zinc/56/72/05/384567205.db2.gz JQCJYJYSJFEZEC-SECBINFHSA-N 1 2 245.348 0.333 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000172879794 384632773 /nfs/dbraw/zinc/63/27/73/384632773.db2.gz PAAXQUHNIDVDRQ-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000172879794 384632779 /nfs/dbraw/zinc/63/27/79/384632779.db2.gz PAAXQUHNIDVDRQ-GFCCVEGCSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)o1 ZINC000184663363 384633551 /nfs/dbraw/zinc/63/35/51/384633551.db2.gz VCSWIFPYHYAPSD-VHSXEESVSA-N 1 2 238.287 0.754 20 0 BCADLO C[C@@H](CCO)CNC(=O)NCc1c[nH+]cn1C ZINC000360102391 384626748 /nfs/dbraw/zinc/62/67/48/384626748.db2.gz CREMOJNQUPHFDY-VIFPVBQESA-N 1 2 240.307 0.238 20 0 BCADLO Cc1nc(C2([NH2+]CCO)CCCC2)no1 ZINC000081668472 384627668 /nfs/dbraw/zinc/62/76/68/384627668.db2.gz LRHUKWGPCYWURY-UHFFFAOYSA-N 1 2 211.265 0.729 20 0 BCADLO COC[C@@](C)(O)C(=O)Nc1c[nH+]ccc1OC ZINC000531020057 384667687 /nfs/dbraw/zinc/66/76/87/384667687.db2.gz UYJAWWMQTXBGLK-LLVKDONJSA-N 1 2 240.259 0.426 20 0 BCADLO O=C(C[C@@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000523680382 259655153 /nfs/dbraw/zinc/65/51/53/259655153.db2.gz VAEBCPHWPMYIOF-NSHDSACASA-N 1 2 235.287 0.836 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC000124740692 384674886 /nfs/dbraw/zinc/67/48/86/384674886.db2.gz YBFLMXXGVBCMQN-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cn(C)nc1C ZINC000124740692 384674892 /nfs/dbraw/zinc/67/48/92/384674892.db2.gz YBFLMXXGVBCMQN-LLVKDONJSA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC000124740945 384674932 /nfs/dbraw/zinc/67/49/32/384674932.db2.gz YBFLMXXGVBCMQN-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1C ZINC000124740945 384674940 /nfs/dbraw/zinc/67/49/40/384674940.db2.gz YBFLMXXGVBCMQN-NSHDSACASA-N 1 2 237.303 0.866 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000172989927 384645568 /nfs/dbraw/zinc/64/55/68/384645568.db2.gz ILVBTRFYFMMQBL-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000172989927 384645577 /nfs/dbraw/zinc/64/55/77/384645577.db2.gz ILVBTRFYFMMQBL-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CNc1ccc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000050791419 384647615 /nfs/dbraw/zinc/64/76/15/384647615.db2.gz LMSZUMCMCFXXDB-UHFFFAOYSA-N 1 2 245.286 0.750 20 0 BCADLO C[C@@](O)(C[NH2+]Cc1csnn1)C(F)(F)F ZINC000271867131 384649302 /nfs/dbraw/zinc/64/93/02/384649302.db2.gz WKMKVNCCWIPTMM-ZCFIWIBFSA-N 1 2 241.238 0.941 20 0 BCADLO O=C(C1CC=CC1)N1CC[NH+](CCO)CC1 ZINC000082866042 384723380 /nfs/dbraw/zinc/72/33/80/384723380.db2.gz UWLMYRHNOXQRBW-UHFFFAOYSA-N 1 2 224.304 0.089 20 0 BCADLO CC(C)n1ccc(C[NH+](CCO)CCO)n1 ZINC000082867021 384724140 /nfs/dbraw/zinc/72/41/40/384724140.db2.gz RWFRMHDDQHIGJQ-UHFFFAOYSA-N 1 2 227.308 0.251 20 0 BCADLO CN1CC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000102701381 384724686 /nfs/dbraw/zinc/72/46/86/384724686.db2.gz DHEJLLHZXPSYAC-UHFFFAOYSA-N 1 2 244.254 0.728 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000086765991 384683198 /nfs/dbraw/zinc/68/31/98/384683198.db2.gz DMMPHQHUQJXDLZ-UHFFFAOYSA-N 1 2 228.321 0.421 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(N)s1 ZINC000086765991 384683205 /nfs/dbraw/zinc/68/32/05/384683205.db2.gz DMMPHQHUQJXDLZ-UHFFFAOYSA-N 1 2 228.321 0.421 20 0 BCADLO Cn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000185151553 384685256 /nfs/dbraw/zinc/68/52/56/384685256.db2.gz YFOANVDRUSBKNJ-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000185151553 384685262 /nfs/dbraw/zinc/68/52/62/384685262.db2.gz YFOANVDRUSBKNJ-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)[C@H](C)O ZINC000309648559 384686085 /nfs/dbraw/zinc/68/60/85/384686085.db2.gz NEXOXVFNMSHOJG-XFWSIPNHSA-N 1 2 229.320 0.933 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)[C@H](C)O ZINC000309648558 384686634 /nfs/dbraw/zinc/68/66/34/384686634.db2.gz NEXOXVFNMSHOJG-UTINFBMNSA-N 1 2 229.320 0.933 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000051822234 384693823 /nfs/dbraw/zinc/69/38/23/384693823.db2.gz CDFZUIXYGMHTOJ-JTQLQIEISA-N 1 2 247.302 0.475 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000051822234 384693833 /nfs/dbraw/zinc/69/38/33/384693833.db2.gz CDFZUIXYGMHTOJ-JTQLQIEISA-N 1 2 247.302 0.475 20 0 BCADLO CNC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000428307239 384706324 /nfs/dbraw/zinc/70/63/24/384706324.db2.gz SYQFXPKZHLWKQU-QMMMGPOBSA-N 1 2 208.265 0.293 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)Cc2cc[nH]n2)C1=O ZINC000634743770 384714747 /nfs/dbraw/zinc/71/47/47/384714747.db2.gz DFPPCTXIRDTQNW-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)Cc2cc[nH]n2)C1=O ZINC000634743770 384714755 /nfs/dbraw/zinc/71/47/55/384714755.db2.gz DFPPCTXIRDTQNW-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO CN1CCCC[C@H]([N@H+](C)Cc2cc[nH]n2)C1=O ZINC000634743771 384715976 /nfs/dbraw/zinc/71/59/76/384715976.db2.gz DFPPCTXIRDTQNW-NSHDSACASA-N 1 2 236.319 0.852 20 0 BCADLO CN1CCCC[C@H]([N@@H+](C)Cc2cc[nH]n2)C1=O ZINC000634743771 384715982 /nfs/dbraw/zinc/71/59/82/384715982.db2.gz DFPPCTXIRDTQNW-NSHDSACASA-N 1 2 236.319 0.852 20 0 BCADLO CC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000363955121 384718477 /nfs/dbraw/zinc/71/84/77/384718477.db2.gz YIHFBHCIPBBQIJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000363955121 384718483 /nfs/dbraw/zinc/71/84/83/384718483.db2.gz YIHFBHCIPBBQIJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000363955121 384718490 /nfs/dbraw/zinc/71/84/90/384718490.db2.gz YIHFBHCIPBBQIJ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CC(=O)NC(C)(C)C ZINC000309917433 384721761 /nfs/dbraw/zinc/72/17/61/384721761.db2.gz QFNPZSDKLXWNLZ-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NC(C)(C)C ZINC000309917433 384721771 /nfs/dbraw/zinc/72/17/71/384721771.db2.gz QFNPZSDKLXWNLZ-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO CC(C)(O)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000408043033 384728446 /nfs/dbraw/zinc/72/84/46/384728446.db2.gz IZACMANSAHDDJR-SFYZADRCSA-N 1 2 218.272 0.045 20 0 BCADLO CC(C)(O)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000408043033 384728450 /nfs/dbraw/zinc/72/84/50/384728450.db2.gz IZACMANSAHDDJR-SFYZADRCSA-N 1 2 218.272 0.045 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CCCS(C)(=O)=O ZINC000172589504 384739792 /nfs/dbraw/zinc/73/97/92/384739792.db2.gz VHGSFKUYBZXGSO-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CCCS(C)(=O)=O ZINC000172589504 384739798 /nfs/dbraw/zinc/73/97/98/384739798.db2.gz VHGSFKUYBZXGSO-SECBINFHSA-N 1 2 237.390 0.858 20 0 BCADLO C[C@H]1CSCC[N@@H+]1CCCS(C)(=O)=O ZINC000172589507 384740502 /nfs/dbraw/zinc/74/05/02/384740502.db2.gz VHGSFKUYBZXGSO-VIFPVBQESA-N 1 2 237.390 0.858 20 0 BCADLO C[C@H]1CSCC[N@H+]1CCCS(C)(=O)=O ZINC000172589507 384740512 /nfs/dbraw/zinc/74/05/12/384740512.db2.gz VHGSFKUYBZXGSO-VIFPVBQESA-N 1 2 237.390 0.858 20 0 BCADLO COC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000117866856 384741553 /nfs/dbraw/zinc/74/15/53/384741553.db2.gz PEQZGVXQFBTCMF-VIFPVBQESA-N 1 2 223.276 0.773 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cccnc1N ZINC000052728029 384748132 /nfs/dbraw/zinc/74/81/32/384748132.db2.gz PGCWQMIBILYCQD-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccnc1N ZINC000052728029 384748138 /nfs/dbraw/zinc/74/81/38/384748138.db2.gz PGCWQMIBILYCQD-UHFFFAOYSA-N 1 2 234.303 0.374 20 0 BCADLO COCC[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000055208204 384763461 /nfs/dbraw/zinc/76/34/61/384763461.db2.gz DQSTWOBVSRGDIL-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO COC(C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1)OC ZINC000367589505 384821181 /nfs/dbraw/zinc/82/11/81/384821181.db2.gz ZZNNLYVQSKMJKX-QWRGUYRKSA-N 1 2 245.319 0.485 20 0 BCADLO COC(C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1)OC ZINC000367589505 384821183 /nfs/dbraw/zinc/82/11/83/384821183.db2.gz ZZNNLYVQSKMJKX-QWRGUYRKSA-N 1 2 245.319 0.485 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCC1(O)CCC1 ZINC000360296576 384826167 /nfs/dbraw/zinc/82/61/67/384826167.db2.gz QIIKXGGUOVMDDS-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000306263560 384837909 /nfs/dbraw/zinc/83/79/09/384837909.db2.gz YUFNSBGGEPRWEK-HTQZYQBOSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000306263560 384837911 /nfs/dbraw/zinc/83/79/11/384837911.db2.gz YUFNSBGGEPRWEK-HTQZYQBOSA-N 1 2 213.306 0.741 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000186321676 384834320 /nfs/dbraw/zinc/83/43/20/384834320.db2.gz RXIOVYVGQQZDNH-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnn(C)c1 ZINC000186321676 384834326 /nfs/dbraw/zinc/83/43/26/384834326.db2.gz RXIOVYVGQQZDNH-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO CC[N@@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000087442813 384793169 /nfs/dbraw/zinc/79/31/69/384793169.db2.gz QATMOWNJTSYPGD-QMMMGPOBSA-N 1 2 223.280 0.019 20 0 BCADLO CC[N@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000087442813 384793172 /nfs/dbraw/zinc/79/31/72/384793172.db2.gz QATMOWNJTSYPGD-QMMMGPOBSA-N 1 2 223.280 0.019 20 0 BCADLO CO[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104597819 384836376 /nfs/dbraw/zinc/83/63/76/384836376.db2.gz ZMKXPFWJPNLBBP-GMTAPVOTSA-N 1 2 244.335 0.247 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H](C)CO ZINC000518214456 384805319 /nfs/dbraw/zinc/80/53/19/384805319.db2.gz TWWILDONJYLHSD-BBBLOLIVSA-N 1 2 239.319 0.721 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@H](C)CO ZINC000518214456 384805326 /nfs/dbraw/zinc/80/53/26/384805326.db2.gz TWWILDONJYLHSD-BBBLOLIVSA-N 1 2 239.319 0.721 20 0 BCADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)nc1 ZINC000083872184 384807802 /nfs/dbraw/zinc/80/78/02/384807802.db2.gz HIIAYGGEALVPGX-VIFPVBQESA-N 1 2 221.260 0.317 20 0 BCADLO C[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277652126 384810257 /nfs/dbraw/zinc/81/02/57/384810257.db2.gz YKSIAGHRHPDEOM-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO C[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277652126 384810263 /nfs/dbraw/zinc/81/02/63/384810263.db2.gz YKSIAGHRHPDEOM-SECBINFHSA-N 1 2 222.292 0.870 20 0 BCADLO COc1ncncc1C[NH2+]Cc1cc(C)ncn1 ZINC000647196803 384812864 /nfs/dbraw/zinc/81/28/64/384812864.db2.gz NCGMHLVIPBXZGB-UHFFFAOYSA-N 1 2 245.286 0.873 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCCF)CCOC1 ZINC000308565464 384813736 /nfs/dbraw/zinc/81/37/36/384813736.db2.gz ANWSXDQJVAMUGS-SECBINFHSA-N 1 2 205.229 0.268 20 0 BCADLO COC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000308624900 384871180 /nfs/dbraw/zinc/87/11/80/384871180.db2.gz VMSDFKPJGVGVHF-SECBINFHSA-N 1 2 201.266 0.300 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1C[C@H]1C)[C@H](C)O ZINC000308611758 384872348 /nfs/dbraw/zinc/87/23/48/384872348.db2.gz QWNWMJVOLWBQIV-RYPBNFRJSA-N 1 2 201.266 0.154 20 0 BCADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC000497213775 384885245 /nfs/dbraw/zinc/88/52/45/384885245.db2.gz JOXBVPFRLCOWMH-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(N)=O ZINC000497213775 384885249 /nfs/dbraw/zinc/88/52/49/384885249.db2.gz JOXBVPFRLCOWMH-SECBINFHSA-N 1 2 243.307 0.024 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000229539054 384886163 /nfs/dbraw/zinc/88/61/63/384886163.db2.gz ZTPWGCMTFCMIFD-SECBINFHSA-N 1 2 213.277 0.851 20 0 BCADLO CCOC(=O)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000229539054 384886172 /nfs/dbraw/zinc/88/61/72/384886172.db2.gz ZTPWGCMTFCMIFD-SECBINFHSA-N 1 2 213.277 0.851 20 0 BCADLO C[C@@H]1[C@@H](CO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000336097934 384886934 /nfs/dbraw/zinc/88/69/34/384886934.db2.gz OSNVHUURTYOGKQ-NXEZZACHSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CO1 ZINC000335428304 384839080 /nfs/dbraw/zinc/83/90/80/384839080.db2.gz CBDCIRXQKWBDBI-IUCAKERBSA-N 1 2 238.291 0.397 20 0 BCADLO CC[C@H](Sc1nc(N)cc(C)[nH+]1)C(N)=O ZINC000112259297 384841619 /nfs/dbraw/zinc/84/16/19/384841619.db2.gz RCWLZHWPTQZUBJ-LURJTMIESA-N 1 2 226.305 0.723 20 0 BCADLO CCOCC[N@H+](CC)Cc1ncnn1C ZINC000177151635 384888393 /nfs/dbraw/zinc/88/83/93/384888393.db2.gz PMILRKOVAVLDLS-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CCOCC[N@@H+](CC)Cc1ncnn1C ZINC000177151635 384888398 /nfs/dbraw/zinc/88/83/98/384888398.db2.gz PMILRKOVAVLDLS-UHFFFAOYSA-N 1 2 212.297 0.674 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186503026 384847037 /nfs/dbraw/zinc/84/70/37/384847037.db2.gz HVQYGTSYBGCVAY-RYUDHWBXSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186503026 384847039 /nfs/dbraw/zinc/84/70/39/384847039.db2.gz HVQYGTSYBGCVAY-RYUDHWBXSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)Cn1nccc1C[NH2+]Cc1cn(C)nn1 ZINC000647200527 384888540 /nfs/dbraw/zinc/88/85/40/384888540.db2.gz NSSDDBICCAUVPR-UHFFFAOYSA-N 1 2 248.334 0.957 20 0 BCADLO CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000087805772 384853339 /nfs/dbraw/zinc/85/33/39/384853339.db2.gz GCFMMEJBZPGIEM-UHFFFAOYSA-N 1 2 208.265 0.745 20 0 BCADLO CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000087805772 384853348 /nfs/dbraw/zinc/85/33/48/384853348.db2.gz GCFMMEJBZPGIEM-UHFFFAOYSA-N 1 2 208.265 0.745 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)o1 ZINC000163781700 384860995 /nfs/dbraw/zinc/86/09/95/384860995.db2.gz OTJXRXBPRBEBHJ-MWLCHTKSSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)o1 ZINC000163781700 384861004 /nfs/dbraw/zinc/86/10/04/384861004.db2.gz OTJXRXBPRBEBHJ-MWLCHTKSSA-N 1 2 239.271 0.696 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@](C)(O)C1 ZINC000175061785 384861453 /nfs/dbraw/zinc/86/14/53/384861453.db2.gz RBFHWAPCDHIHQE-LLVKDONJSA-N 1 2 233.275 0.324 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000618402235 384865081 /nfs/dbraw/zinc/86/50/81/384865081.db2.gz UQBWLXULSLIFQO-MWLCHTKSSA-N 1 2 237.303 0.333 20 0 BCADLO CC(C)[C@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000310299225 384951824 /nfs/dbraw/zinc/95/18/24/384951824.db2.gz BEQKRYSKPXVPOP-GFCCVEGCSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](O)C3(CC3)C2)cc[nH+]1 ZINC000336291272 384957379 /nfs/dbraw/zinc/95/73/79/384957379.db2.gz ZFNUOMUDSDBWKY-LLVKDONJSA-N 1 2 247.298 0.801 20 0 BCADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@H]1CCCO1 ZINC000308647787 384895027 /nfs/dbraw/zinc/89/50/27/384895027.db2.gz IEQLPYLPHFYLSU-HTQZYQBOSA-N 1 2 209.236 0.771 20 0 BCADLO Cc1cnccc1C[N@H+](C)CCS(C)(=O)=O ZINC000528374067 384904065 /nfs/dbraw/zinc/90/40/65/384904065.db2.gz VCPULWGCNNQTCF-UHFFFAOYSA-N 1 2 242.344 0.866 20 0 BCADLO Cc1cnccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000528374067 384904070 /nfs/dbraw/zinc/90/40/70/384904070.db2.gz VCPULWGCNNQTCF-UHFFFAOYSA-N 1 2 242.344 0.866 20 0 BCADLO CC(C)NC(=O)OC1C[NH+]([C@@H](C)[C@@H](C)O)C1 ZINC000497307083 384958794 /nfs/dbraw/zinc/95/87/94/384958794.db2.gz OHUFZWTUDULBEE-DTWKUNHWSA-N 1 2 230.308 0.575 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336495732 384912443 /nfs/dbraw/zinc/91/24/43/384912443.db2.gz FHYSKXDPNPVDCY-FSPLSTOPSA-N 1 2 226.198 0.909 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336495732 384912450 /nfs/dbraw/zinc/91/24/50/384912450.db2.gz FHYSKXDPNPVDCY-FSPLSTOPSA-N 1 2 226.198 0.909 20 0 BCADLO Cc1nnc(C[N@@H+](CCOCCO)C(C)C)[nH]1 ZINC000310238997 384923166 /nfs/dbraw/zinc/92/31/66/384923166.db2.gz LGKHAWGLKVIKKL-UHFFFAOYSA-N 1 2 242.323 0.332 20 0 BCADLO Cc1nnc(C[N@H+](CCOCCO)C(C)C)[nH]1 ZINC000310238997 384923172 /nfs/dbraw/zinc/92/31/72/384923172.db2.gz LGKHAWGLKVIKKL-UHFFFAOYSA-N 1 2 242.323 0.332 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C1CCOCC1 ZINC000531105080 384959539 /nfs/dbraw/zinc/95/95/39/384959539.db2.gz NVQIQHMWNAFZPZ-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C1CCOCC1 ZINC000531105080 384959547 /nfs/dbraw/zinc/95/95/47/384959547.db2.gz NVQIQHMWNAFZPZ-UHFFFAOYSA-N 1 2 239.323 0.865 20 0 BCADLO CCCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045492 384959654 /nfs/dbraw/zinc/95/96/54/384959654.db2.gz GCWZAQMPTKOPMM-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO CCCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045492 384959663 /nfs/dbraw/zinc/95/96/63/384959663.db2.gz GCWZAQMPTKOPMM-BDAKNGLRSA-N 1 2 200.282 0.361 20 0 BCADLO Cc1nsc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000301805286 384928569 /nfs/dbraw/zinc/92/85/69/384928569.db2.gz YCZDJHKLMQIQGL-VIFPVBQESA-N 1 2 239.348 0.258 20 0 BCADLO Cc1cncc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000302108761 384959730 /nfs/dbraw/zinc/95/97/30/384959730.db2.gz OQNKTMJKHZZGCL-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000302108761 384959737 /nfs/dbraw/zinc/95/97/37/384959737.db2.gz OQNKTMJKHZZGCL-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)N(C)C ZINC000187304535 384934143 /nfs/dbraw/zinc/93/41/43/384934143.db2.gz ZIFFDDMHDHDEBI-LBPRGKRZSA-N 1 2 241.335 0.065 20 0 BCADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)N(C)C ZINC000187304535 384934147 /nfs/dbraw/zinc/93/41/47/384934147.db2.gz ZIFFDDMHDHDEBI-LBPRGKRZSA-N 1 2 241.335 0.065 20 0 BCADLO OC[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000258731737 384938420 /nfs/dbraw/zinc/93/84/20/384938420.db2.gz MXDXFVZGBNDCIL-SECBINFHSA-N 1 2 234.303 0.870 20 0 BCADLO OC[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000258731737 384938428 /nfs/dbraw/zinc/93/84/28/384938428.db2.gz MXDXFVZGBNDCIL-SECBINFHSA-N 1 2 234.303 0.870 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000312957797 384942935 /nfs/dbraw/zinc/94/29/35/384942935.db2.gz OFHADTOODQNNAM-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000312957797 384942940 /nfs/dbraw/zinc/94/29/40/384942940.db2.gz OFHADTOODQNNAM-SNVBAGLBSA-N 1 2 242.319 0.539 20 0 BCADLO O=C(CCC1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000370824261 384945725 /nfs/dbraw/zinc/94/57/25/384945725.db2.gz PXJTWJFEKUQNFO-LBPRGKRZSA-N 1 2 237.347 0.293 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000331957428 384965178 /nfs/dbraw/zinc/96/51/78/384965178.db2.gz JYEHAGRJFJKWSB-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000331957428 384965188 /nfs/dbraw/zinc/96/51/88/384965188.db2.gz JYEHAGRJFJKWSB-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@H](O)C1 ZINC000331959240 384966674 /nfs/dbraw/zinc/96/66/74/384966674.db2.gz KDCBFBPGHBWFEQ-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@H](O)C1 ZINC000331959240 384966677 /nfs/dbraw/zinc/96/66/77/384966677.db2.gz KDCBFBPGHBWFEQ-VHSXEESVSA-N 1 2 245.319 0.410 20 0 BCADLO NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000087555574 384981256 /nfs/dbraw/zinc/98/12/56/384981256.db2.gz YFBDNLHUJSVAJH-ZCFIWIBFSA-N 1 2 210.199 0.746 20 0 BCADLO NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000087555574 384981261 /nfs/dbraw/zinc/98/12/61/384981261.db2.gz YFBDNLHUJSVAJH-ZCFIWIBFSA-N 1 2 210.199 0.746 20 0 BCADLO COC1(C)CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000310330845 384983014 /nfs/dbraw/zinc/98/30/14/384983014.db2.gz BNDMCDNRYVWXFF-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO COC1(C)CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000310330845 384983020 /nfs/dbraw/zinc/98/30/20/384983020.db2.gz BNDMCDNRYVWXFF-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000130148561 385022362 /nfs/dbraw/zinc/02/23/62/385022362.db2.gz INFWNXJSYHMBNY-VXJOIVPMSA-N 1 2 229.349 0.965 20 0 BCADLO C[C@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000310344858 384998119 /nfs/dbraw/zinc/99/81/19/384998119.db2.gz FTMXCYXDDJFQTM-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO CC(C)(O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000188050251 385006284 /nfs/dbraw/zinc/00/62/84/385006284.db2.gz UCPFSECUQDLNDQ-UHFFFAOYSA-N 1 2 249.314 0.501 20 0 BCADLO C[C@@H](C[NH2+][C@@H](C)c1ccon1)S(C)(=O)=O ZINC000644611673 385012532 /nfs/dbraw/zinc/01/25/32/385012532.db2.gz OABNJBMSQDAWMS-YUMQZZPRSA-N 1 2 232.305 0.758 20 0 BCADLO C[C@H](C[NH2+][C@H](C)c1ccon1)S(C)(=O)=O ZINC000644611668 385012997 /nfs/dbraw/zinc/01/29/97/385012997.db2.gz OABNJBMSQDAWMS-HTQZYQBOSA-N 1 2 232.305 0.758 20 0 BCADLO C[C@]1(O)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000188206644 385023211 /nfs/dbraw/zinc/02/32/11/385023211.db2.gz GFSJVIFEUGHFSK-NSHDSACASA-N 1 2 238.291 0.049 20 0 BCADLO Cc1cc(N[C@@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302755568 385016473 /nfs/dbraw/zinc/01/64/73/385016473.db2.gz ILTKKIAZISKOGJ-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCn3nc(C)nc3C2)c1 ZINC000374068909 385019294 /nfs/dbraw/zinc/01/92/94/385019294.db2.gz XAUUXMSBZWIGDX-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO Cc1cnn(CC[N@H+]2CCn3nc(C)nc3C2)c1 ZINC000374068909 385019298 /nfs/dbraw/zinc/01/92/98/385019298.db2.gz XAUUXMSBZWIGDX-UHFFFAOYSA-N 1 2 246.318 0.607 20 0 BCADLO CCOC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000109824663 385021110 /nfs/dbraw/zinc/02/11/10/385021110.db2.gz STJXPMRYUNIWCK-UHFFFAOYSA-N 1 2 238.291 0.684 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000107290598 384962014 /nfs/dbraw/zinc/96/20/14/384962014.db2.gz VRLYHLGMRXMAGP-SECBINFHSA-N 1 2 233.271 0.807 20 0 BCADLO COC[C@](C)(O)CNc1cc[nH+]c2ccncc12 ZINC000530776552 385050695 /nfs/dbraw/zinc/05/06/95/385050695.db2.gz PBGDAUWHOLECLX-CYBMUJFWSA-N 1 2 247.298 0.861 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000188965616 385051325 /nfs/dbraw/zinc/05/13/25/385051325.db2.gz ZVVIRGZNMSNXNJ-SSDOTTSWSA-N 1 2 243.225 0.795 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000188965616 385051330 /nfs/dbraw/zinc/05/13/30/385051330.db2.gz ZVVIRGZNMSNXNJ-SSDOTTSWSA-N 1 2 243.225 0.795 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2COC[C@@H]2O)[nH+]1 ZINC000631432472 385084125 /nfs/dbraw/zinc/08/41/25/385084125.db2.gz DSNJWDYGCNOPPP-BDAKNGLRSA-N 1 2 234.259 0.438 20 0 BCADLO COC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000105980607 385063559 /nfs/dbraw/zinc/06/35/59/385063559.db2.gz DHJTUQURAPQBBJ-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)CC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000105980607 385063565 /nfs/dbraw/zinc/06/35/65/385063565.db2.gz DHJTUQURAPQBBJ-VIFPVBQESA-N 1 2 229.276 0.577 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]1C1CC1 ZINC000177607148 385063982 /nfs/dbraw/zinc/06/39/82/385063982.db2.gz AFOXBJMXQOPBTR-NEPJUHHUSA-N 1 2 238.331 0.481 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](CCO)C[C@@H](C)O ZINC000310445187 385068018 /nfs/dbraw/zinc/06/80/18/385068018.db2.gz QULWDNVXWGKGSW-SNVBAGLBSA-N 1 2 242.323 0.034 20 0 BCADLO CC(C)n1ncnc1C[N@H+](CCO)C[C@@H](C)O ZINC000310445187 385068026 /nfs/dbraw/zinc/06/80/26/385068026.db2.gz QULWDNVXWGKGSW-SNVBAGLBSA-N 1 2 242.323 0.034 20 0 BCADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)C[C@H]2CC[C@@H]1O2 ZINC000188655167 385074210 /nfs/dbraw/zinc/07/42/10/385074210.db2.gz LCOPHOAWDYZHMZ-NTZNESFSSA-N 1 2 249.314 0.957 20 0 BCADLO CCC1(O)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000408384492 385075574 /nfs/dbraw/zinc/07/55/74/385075574.db2.gz HNYACRAJDNVDRC-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO CCC1(O)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000408384492 385075581 /nfs/dbraw/zinc/07/55/81/385075581.db2.gz HNYACRAJDNVDRC-UHFFFAOYSA-N 1 2 237.307 0.207 20 0 BCADLO C[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000341267916 385080391 /nfs/dbraw/zinc/08/03/91/385080391.db2.gz BJMCCWVUSFOAPT-SFYZADRCSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@@H](O)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000341267916 385080399 /nfs/dbraw/zinc/08/03/99/385080399.db2.gz BJMCCWVUSFOAPT-SFYZADRCSA-N 1 2 223.276 0.327 20 0 BCADLO C[N@H+]1C[C@H]2CN(c3ccc(C(=O)[O-])c[nH+]3)C[C@H]2C1 ZINC000647448064 385035765 /nfs/dbraw/zinc/03/57/65/385035765.db2.gz RBWUOBCQKVNXLJ-PHIMTYICSA-N 1 2 247.298 0.778 20 0 BCADLO C[N@@H+]1C[C@H]2CN(c3ccc(C(=O)[O-])c[nH+]3)C[C@H]2C1 ZINC000647448064 385035771 /nfs/dbraw/zinc/03/57/71/385035771.db2.gz RBWUOBCQKVNXLJ-PHIMTYICSA-N 1 2 247.298 0.778 20 0 BCADLO Cc1nc(N(CCO)[C@H]2CCO[C@H]2C)cc[nH+]1 ZINC000360270046 385037640 /nfs/dbraw/zinc/03/76/40/385037640.db2.gz YZMLWMYQJCBNAU-ONGXEEELSA-N 1 2 237.303 0.761 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000360617664 385041368 /nfs/dbraw/zinc/04/13/68/385041368.db2.gz IOXBIHHIFAQPJF-NXEZZACHSA-N 1 2 239.319 0.955 20 0 BCADLO Cn1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1=O ZINC000557613843 385046397 /nfs/dbraw/zinc/04/63/97/385046397.db2.gz HJBWNNFWGVXYBN-UHFFFAOYSA-N 1 2 249.314 0.666 20 0 BCADLO Cn1cc(N2CC[N@H+](CCCF)CC2=O)cn1 ZINC000151510542 385112769 /nfs/dbraw/zinc/11/27/69/385112769.db2.gz RNLORSUGZZSMJS-UHFFFAOYSA-N 1 2 240.282 0.428 20 0 BCADLO Cn1cc(N2CC[N@@H+](CCCF)CC2=O)cn1 ZINC000151510542 385112777 /nfs/dbraw/zinc/11/27/77/385112777.db2.gz RNLORSUGZZSMJS-UHFFFAOYSA-N 1 2 240.282 0.428 20 0 BCADLO CC[C@@](C)(O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516662340 385116415 /nfs/dbraw/zinc/11/64/15/385116415.db2.gz ZTTRKCYFHKLGKI-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@](C)(O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516662340 385116420 /nfs/dbraw/zinc/11/64/20/385116420.db2.gz ZTTRKCYFHKLGKI-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@H](O)C2)c1Cl ZINC000236390033 385118441 /nfs/dbraw/zinc/11/84/41/385118441.db2.gz BYYMDOOHPRNHBD-YFKPBYRVSA-N 1 2 214.656 0.283 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@H](O)C2)c1Cl ZINC000236390033 385118447 /nfs/dbraw/zinc/11/84/47/385118447.db2.gz BYYMDOOHPRNHBD-YFKPBYRVSA-N 1 2 214.656 0.283 20 0 BCADLO Nc1[nH+]cnc(N[C@@H]2CCCNC2=O)c1Cl ZINC000236393528 385119871 /nfs/dbraw/zinc/11/98/71/385119871.db2.gz CUHDOJNBFLUCFX-RXMQYKEDSA-N 1 2 241.682 0.403 20 0 BCADLO Nc1nc[nH+]c(N[C@@H]2CCCNC2=O)c1Cl ZINC000236393528 385119877 /nfs/dbraw/zinc/11/98/77/385119877.db2.gz CUHDOJNBFLUCFX-RXMQYKEDSA-N 1 2 241.682 0.403 20 0 BCADLO CN(C)c1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000407953586 385120614 /nfs/dbraw/zinc/12/06/14/385120614.db2.gz CHLGEZWKQDJGBG-MRVPVSSYSA-N 1 2 226.280 0.356 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000407953586 385120618 /nfs/dbraw/zinc/12/06/18/385120618.db2.gz CHLGEZWKQDJGBG-MRVPVSSYSA-N 1 2 226.280 0.356 20 0 BCADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000061708974 385133924 /nfs/dbraw/zinc/13/39/24/385133924.db2.gz RPHIBDGMEHOKRN-SECBINFHSA-N 1 2 241.316 0.668 20 0 BCADLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000061708974 385133932 /nfs/dbraw/zinc/13/39/32/385133932.db2.gz RPHIBDGMEHOKRN-SECBINFHSA-N 1 2 241.316 0.668 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1CCc1ccccn1 ZINC000108862110 385096925 /nfs/dbraw/zinc/09/69/25/385096925.db2.gz SSMPFPXZORDWII-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1CCc1ccccn1 ZINC000108862110 385096931 /nfs/dbraw/zinc/09/69/31/385096931.db2.gz SSMPFPXZORDWII-UHFFFAOYSA-N 1 2 233.315 0.835 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000407949304 385101439 /nfs/dbraw/zinc/10/14/39/385101439.db2.gz GGANGGLPLZLQNZ-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000407949304 385101442 /nfs/dbraw/zinc/10/14/42/385101442.db2.gz GGANGGLPLZLQNZ-KOLCDFICSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000407949298 385102134 /nfs/dbraw/zinc/10/21/34/385102134.db2.gz GGANGGLPLZLQNZ-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000407949298 385102137 /nfs/dbraw/zinc/10/21/37/385102137.db2.gz GGANGGLPLZLQNZ-GXSJLCMTSA-N 1 2 238.335 0.809 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000407950091 385106629 /nfs/dbraw/zinc/10/66/29/385106629.db2.gz UWVJBPYBRWINKM-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000407950091 385106635 /nfs/dbraw/zinc/10/66/35/385106635.db2.gz UWVJBPYBRWINKM-JTQLQIEISA-N 1 2 237.307 0.619 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCCOCC1 ZINC000363377389 385201453 /nfs/dbraw/zinc/20/14/53/385201453.db2.gz AOUXOQKKMFBNKI-UHFFFAOYSA-N 1 2 235.349 0.534 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCCOCC1 ZINC000363377389 385201455 /nfs/dbraw/zinc/20/14/55/385201455.db2.gz AOUXOQKKMFBNKI-UHFFFAOYSA-N 1 2 235.349 0.534 20 0 BCADLO CCC[C@H]1C(=O)NCCN1Cc1[nH+]ccn1C ZINC000152437014 385182358 /nfs/dbraw/zinc/18/23/58/385182358.db2.gz GUEASWJYSQYLKN-JTQLQIEISA-N 1 2 236.319 0.521 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)Cc1ccccc1 ZINC000177141660 385187189 /nfs/dbraw/zinc/18/71/89/385187189.db2.gz BPQOQKKKOCNNAJ-GFCCVEGCSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)Cc1ccccc1 ZINC000177141660 385187194 /nfs/dbraw/zinc/18/71/94/385187194.db2.gz BPQOQKKKOCNNAJ-GFCCVEGCSA-N 1 2 246.314 0.840 20 0 BCADLO Cc1cncc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000189863580 385191479 /nfs/dbraw/zinc/19/14/79/385191479.db2.gz WCZSZNCFBHTEPY-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000189863580 385191489 /nfs/dbraw/zinc/19/14/89/385191489.db2.gz WCZSZNCFBHTEPY-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000189923783 385197862 /nfs/dbraw/zinc/19/78/62/385197862.db2.gz ZPXUHKRKVAPLGR-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO Cc1cncc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000189923783 385197874 /nfs/dbraw/zinc/19/78/74/385197874.db2.gz ZPXUHKRKVAPLGR-PWSUYJOCSA-N 1 2 249.314 0.465 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1Cc2cccnc2C1 ZINC000559762239 385156177 /nfs/dbraw/zinc/15/61/77/385156177.db2.gz IVBPMOAPHMUNIJ-SNVBAGLBSA-N 1 2 203.245 0.286 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1Cc2cccnc2C1 ZINC000559762239 385156178 /nfs/dbraw/zinc/15/61/78/385156178.db2.gz IVBPMOAPHMUNIJ-SNVBAGLBSA-N 1 2 203.245 0.286 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000177985174 385158587 /nfs/dbraw/zinc/15/85/87/385158587.db2.gz OZDYZXBGKFIGCJ-GZMMTYOYSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000177985174 385158595 /nfs/dbraw/zinc/15/85/95/385158595.db2.gz OZDYZXBGKFIGCJ-GZMMTYOYSA-N 1 2 241.291 0.734 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1ncccc1O ZINC000062320493 385170933 /nfs/dbraw/zinc/17/09/33/385170933.db2.gz CXXOLAGQPOKVLK-UHFFFAOYSA-N 1 2 246.270 0.793 20 0 BCADLO C[C@]1(O)CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000178005890 385172834 /nfs/dbraw/zinc/17/28/34/385172834.db2.gz MRLHLKDCPCRAFN-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@]1(O)CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000178005890 385172840 /nfs/dbraw/zinc/17/28/40/385172840.db2.gz MRLHLKDCPCRAFN-QMMMGPOBSA-N 1 2 240.225 0.122 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cnn(C)c1 ZINC000152347803 385176965 /nfs/dbraw/zinc/17/69/65/385176965.db2.gz KHOAPZHNUISNOW-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cnn(C)c1 ZINC000152347803 385176967 /nfs/dbraw/zinc/17/69/67/385176967.db2.gz KHOAPZHNUISNOW-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccon1 ZINC000308837106 385210248 /nfs/dbraw/zinc/21/02/48/385210248.db2.gz IPZVUGIGNCKNRZ-YUMQZZPRSA-N 1 2 232.305 0.758 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313029199 385211320 /nfs/dbraw/zinc/21/13/20/385211320.db2.gz HRXRQVAOHGPJJD-ZJUUUORDSA-N 1 2 227.304 0.953 20 0 BCADLO CC[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000290626686 385226557 /nfs/dbraw/zinc/22/65/57/385226557.db2.gz MASFICZAMPTRCG-SECBINFHSA-N 1 2 211.265 0.461 20 0 BCADLO NC(=O)[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000110392745 385231076 /nfs/dbraw/zinc/23/10/76/385231076.db2.gz QJBBVOHICSTGKI-VIFPVBQESA-N 1 2 248.286 0.045 20 0 BCADLO CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000407974528 385257080 /nfs/dbraw/zinc/25/70/80/385257080.db2.gz FFNAMGUOQGSTBD-SNVBAGLBSA-N 1 2 227.308 0.169 20 0 BCADLO CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000407974528 385257082 /nfs/dbraw/zinc/25/70/82/385257082.db2.gz FFNAMGUOQGSTBD-SNVBAGLBSA-N 1 2 227.308 0.169 20 0 BCADLO COC[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000290665855 385253447 /nfs/dbraw/zinc/25/34/47/385253447.db2.gz HRZGJELDZGWEEB-SECBINFHSA-N 1 2 240.307 0.502 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1C ZINC000336396789 385253743 /nfs/dbraw/zinc/25/37/43/385253743.db2.gz OQPSOUVOMPDPFU-JGVFFNPUSA-N 1 2 242.348 0.434 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1C ZINC000336396789 385253747 /nfs/dbraw/zinc/25/37/47/385253747.db2.gz OQPSOUVOMPDPFU-JGVFFNPUSA-N 1 2 242.348 0.434 20 0 BCADLO CC[C@H](COC)NC(=O)NCc1c[nH+]cn1C ZINC000290844556 385254241 /nfs/dbraw/zinc/25/42/41/385254241.db2.gz ZJEJPCUHSPLPTH-SECBINFHSA-N 1 2 240.307 0.644 20 0 BCADLO COCC[C@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000172069842 385204434 /nfs/dbraw/zinc/20/44/34/385204434.db2.gz FHINZVBUUVFESW-JTQLQIEISA-N 1 2 213.281 0.287 20 0 BCADLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccncc1 ZINC000131050837 385304435 /nfs/dbraw/zinc/30/44/35/385304435.db2.gz VDFJPHMMFBKPFX-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccncc1 ZINC000131050837 385304437 /nfs/dbraw/zinc/30/44/37/385304437.db2.gz VDFJPHMMFBKPFX-UHFFFAOYSA-N 1 2 249.314 0.372 20 0 BCADLO Cc1nc(NC[C@@H](O)C2CCC2)nc(N)[nH+]1 ZINC000316610895 385304593 /nfs/dbraw/zinc/30/45/93/385304593.db2.gz QQGSVSBDGRUWDQ-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)C2CCC2)[nH+]1 ZINC000316610895 385304597 /nfs/dbraw/zinc/30/45/97/385304597.db2.gz QQGSVSBDGRUWDQ-MRVPVSSYSA-N 1 2 223.280 0.335 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(=O)OC ZINC000308959835 385311252 /nfs/dbraw/zinc/31/12/52/385311252.db2.gz RQGZEZCILYZSGU-BBBLOLIVSA-N 1 2 215.293 0.953 20 0 BCADLO COC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(=O)OC ZINC000308959842 385311678 /nfs/dbraw/zinc/31/16/78/385311678.db2.gz RQGZEZCILYZSGU-UTLUCORTSA-N 1 2 215.293 0.953 20 0 BCADLO O=C(CO)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408056989 385317080 /nfs/dbraw/zinc/31/70/80/385317080.db2.gz OIURCWQRGWJIMG-UHFFFAOYSA-N 1 2 209.249 0.108 20 0 BCADLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000178004973 385318940 /nfs/dbraw/zinc/31/89/40/385318940.db2.gz JTMZSQOCMKJMJF-JTQLQIEISA-N 1 2 241.316 0.538 20 0 BCADLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000178004973 385318945 /nfs/dbraw/zinc/31/89/45/385318945.db2.gz JTMZSQOCMKJMJF-JTQLQIEISA-N 1 2 241.316 0.538 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1c(C)noc1C ZINC000191711893 385319187 /nfs/dbraw/zinc/31/91/87/385319187.db2.gz DCHLFIABTVWFIN-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1c(C)noc1C ZINC000191711893 385319192 /nfs/dbraw/zinc/31/91/92/385319192.db2.gz DCHLFIABTVWFIN-UHFFFAOYSA-N 1 2 211.265 0.599 20 0 BCADLO CC(=O)NC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000191728552 385319702 /nfs/dbraw/zinc/31/97/02/385319702.db2.gz RDCMDWOPARSORV-CYBMUJFWSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC000130577215 385262784 /nfs/dbraw/zinc/26/27/84/385262784.db2.gz IIBPJYKFWGGPDD-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO Cn1ncc(Cl)c1CNCC[NH+]1CCC1 ZINC000308916832 385281487 /nfs/dbraw/zinc/28/14/87/385281487.db2.gz HOMKUDZXTYPOKL-UHFFFAOYSA-N 1 2 228.727 0.869 20 0 BCADLO CCc1nnc(C[N@H+](CCO)CC2CC2)[nH]1 ZINC000157797121 385281613 /nfs/dbraw/zinc/28/16/13/385281613.db2.gz AZQCYCNUNDHUAH-UHFFFAOYSA-N 1 2 224.308 0.571 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)CC2CC2)[nH]1 ZINC000157797121 385281621 /nfs/dbraw/zinc/28/16/21/385281621.db2.gz AZQCYCNUNDHUAH-UHFFFAOYSA-N 1 2 224.308 0.571 20 0 BCADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)[C@H]1CO ZINC000299912309 385288758 /nfs/dbraw/zinc/28/87/58/385288758.db2.gz PGKSDPMZOKGJHO-KOLCDFICSA-N 1 2 222.288 0.781 20 0 BCADLO CC[C@](C)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000308920799 385292632 /nfs/dbraw/zinc/29/26/32/385292632.db2.gz ITNOPGQEHMHAFI-ONGXEEELSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@](C)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000308920794 385292665 /nfs/dbraw/zinc/29/26/65/385292665.db2.gz ITNOPGQEHMHAFI-KOLCDFICSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@@H](O)CCNC(=O)NCc1c[nH+]cn1C ZINC000292244112 385294436 /nfs/dbraw/zinc/29/44/36/385294436.db2.gz GPMDTCQYHPVDJM-SNVBAGLBSA-N 1 2 240.307 0.380 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)N(C)C ZINC000308980556 385323529 /nfs/dbraw/zinc/32/35/29/385323529.db2.gz HYDXFINZWIJIRL-JGVFFNPUSA-N 1 2 210.281 0.537 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000247164914 385296998 /nfs/dbraw/zinc/29/69/98/385296998.db2.gz JDKQSEYBARSJCS-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000247164914 385297005 /nfs/dbraw/zinc/29/70/05/385297005.db2.gz JDKQSEYBARSJCS-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO Cc1nnc(C[NH+]2CCC(C)(O)CC2)[nH]1 ZINC000308974906 385329540 /nfs/dbraw/zinc/32/95/40/385329540.db2.gz HWPRQOPMBJGCBP-UHFFFAOYSA-N 1 2 210.281 0.460 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)C1CC1 ZINC000359820878 385332103 /nfs/dbraw/zinc/33/21/03/385332103.db2.gz KHSIODPQAZKCJG-SNVBAGLBSA-N 1 2 237.303 0.477 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)C1CC1 ZINC000359820878 385332107 /nfs/dbraw/zinc/33/21/07/385332107.db2.gz KHSIODPQAZKCJG-SNVBAGLBSA-N 1 2 237.303 0.477 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1nccs1 ZINC000289738545 385333365 /nfs/dbraw/zinc/33/33/65/385333365.db2.gz JKXUGXWBQNFDBS-MRVPVSSYSA-N 1 2 216.306 0.318 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1nccs1 ZINC000289738545 385333367 /nfs/dbraw/zinc/33/33/67/385333367.db2.gz JKXUGXWBQNFDBS-MRVPVSSYSA-N 1 2 216.306 0.318 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCN(S(C)(=O)=O)C1 ZINC000407997634 385344829 /nfs/dbraw/zinc/34/48/29/385344829.db2.gz KSVMDRKUAUUEND-QMMMGPOBSA-N 1 2 229.305 0.169 20 0 BCADLO Cn1c(C[N@@H+]2C[C@H](O)C3(CC3)C2)nnc1C1CC1 ZINC000364314010 385345462 /nfs/dbraw/zinc/34/54/62/385345462.db2.gz GKXARIREEJVJQT-JTQLQIEISA-N 1 2 248.330 0.649 20 0 BCADLO Cn1c(C[N@H+]2C[C@H](O)C3(CC3)C2)nnc1C1CC1 ZINC000364314010 385345464 /nfs/dbraw/zinc/34/54/64/385345464.db2.gz GKXARIREEJVJQT-JTQLQIEISA-N 1 2 248.330 0.649 20 0 BCADLO OCC1CN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000192181307 385347769 /nfs/dbraw/zinc/34/77/69/385347769.db2.gz KOAKZOXSZQJUMO-UHFFFAOYSA-N 1 2 248.330 0.895 20 0 BCADLO OCC1CN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000192181307 385347772 /nfs/dbraw/zinc/34/77/72/385347772.db2.gz KOAKZOXSZQJUMO-UHFFFAOYSA-N 1 2 248.330 0.895 20 0 BCADLO C[C@@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000180323172 385389733 /nfs/dbraw/zinc/38/97/33/385389733.db2.gz XTNHRNAGBXJXNH-GARJFASQSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000180323172 385389735 /nfs/dbraw/zinc/38/97/35/385389735.db2.gz XTNHRNAGBXJXNH-GARJFASQSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@@H](O)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192529371 385361125 /nfs/dbraw/zinc/36/11/25/385361125.db2.gz VUSKDPPEZWZBRG-SECBINFHSA-N 1 2 248.286 0.514 20 0 BCADLO COCC[C@H](Nc1cccc[nH+]1)C(N)=O ZINC000309054949 385387251 /nfs/dbraw/zinc/38/72/51/385387251.db2.gz TWOWOLJLVROFIZ-QMMMGPOBSA-N 1 2 209.249 0.384 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000193619729 385404723 /nfs/dbraw/zinc/40/47/23/385404723.db2.gz LSVBWNOSGKJLHL-LLVKDONJSA-N 1 2 234.303 0.823 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn1 ZINC000193619729 385404728 /nfs/dbraw/zinc/40/47/28/385404728.db2.gz LSVBWNOSGKJLHL-LLVKDONJSA-N 1 2 234.303 0.823 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)ccn1 ZINC000170234263 385426174 /nfs/dbraw/zinc/42/61/74/385426174.db2.gz KFJFGFIBINLIHN-UHFFFAOYSA-N 1 2 249.314 0.140 20 0 BCADLO C[C@H](Nc1cccc[nH+]1)C(=O)NCCF ZINC000309109250 385426219 /nfs/dbraw/zinc/42/62/19/385426219.db2.gz JDEAODGVUUSDMX-QMMMGPOBSA-N 1 2 211.240 0.968 20 0 BCADLO CC(C)n1cc(C[NH2+][C@H]2CC(=O)N(C)C2)nn1 ZINC000289777055 385422073 /nfs/dbraw/zinc/42/20/73/385422073.db2.gz PTAHDEFJNNKPJC-VIFPVBQESA-N 1 2 237.307 0.179 20 0 BCADLO CC(=O)c1ccc(N2CC[NH+](CCO)CC2)nc1 ZINC000178880089 385423017 /nfs/dbraw/zinc/42/30/17/385423017.db2.gz LVCAKXAWFVICKM-UHFFFAOYSA-N 1 2 249.314 0.399 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000194710458 385447720 /nfs/dbraw/zinc/44/77/20/385447720.db2.gz HZZVHAVADFGCFC-CYBMUJFWSA-N 1 2 249.314 0.975 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000194710458 385447724 /nfs/dbraw/zinc/44/77/24/385447724.db2.gz HZZVHAVADFGCFC-CYBMUJFWSA-N 1 2 249.314 0.975 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1COCCO1 ZINC000170956965 385458162 /nfs/dbraw/zinc/45/81/62/385458162.db2.gz BXKRIHXURJPEOC-SNVBAGLBSA-N 1 2 222.244 0.744 20 0 BCADLO CC1=CC[N@H+](CCNC(=O)c2cnn[nH]2)CC1 ZINC000570613191 385428501 /nfs/dbraw/zinc/42/85/01/385428501.db2.gz IJUPRMIQQQOCTP-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CC1=CC[N@@H+](CCNC(=O)c2cnn[nH]2)CC1 ZINC000570613191 385428502 /nfs/dbraw/zinc/42/85/02/385428502.db2.gz IJUPRMIQQQOCTP-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO Cn1nnc(C[NH+]2C[C@@H]3CCC[C@H]3C2)n1 ZINC000194440441 385435024 /nfs/dbraw/zinc/43/50/24/385435024.db2.gz QCIPJIYYQBLFPX-IUCAKERBSA-N 1 2 207.281 0.442 20 0 BCADLO C[C@H]([N@H+](C)Cc1nnn(C)n1)C1(C)CC1 ZINC000194440335 385435385 /nfs/dbraw/zinc/43/53/85/385435385.db2.gz QTONUVOCZOQXFX-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]([N@@H+](C)Cc1nnn(C)n1)C1(C)CC1 ZINC000194440335 385435388 /nfs/dbraw/zinc/43/53/88/385435388.db2.gz QTONUVOCZOQXFX-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO Cn1nncc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364497584 385473335 /nfs/dbraw/zinc/47/33/35/385473335.db2.gz ZBEBOPCKPFBNPN-NSHDSACASA-N 1 2 222.292 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364497584 385473337 /nfs/dbraw/zinc/47/33/37/385473337.db2.gz ZBEBOPCKPFBNPN-NSHDSACASA-N 1 2 222.292 0.426 20 0 BCADLO Cc1cc(N2CCN(C)C(=O)C2)nc(C2CC2)[nH+]1 ZINC000156627112 385462066 /nfs/dbraw/zinc/46/20/66/385462066.db2.gz SEFRIXAOJBWECS-UHFFFAOYSA-N 1 2 246.314 0.941 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(N)=O ZINC000179847520 385494872 /nfs/dbraw/zinc/49/48/72/385494872.db2.gz YIOIIQFJQFWURC-SSDOTTSWSA-N 1 2 222.248 0.385 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000111272858 385498917 /nfs/dbraw/zinc/49/89/17/385498917.db2.gz FVIKJDCFZDVFPR-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000111272858 385498920 /nfs/dbraw/zinc/49/89/20/385498920.db2.gz FVIKJDCFZDVFPR-UWVGGRQHSA-N 1 2 214.309 0.574 20 0 BCADLO CC[C@@H](C(N)=O)N1CCn2cc(C)[nH+]c2C1 ZINC000364680789 385501799 /nfs/dbraw/zinc/50/17/99/385501799.db2.gz BSLDUGRNYUDTQX-VIFPVBQESA-N 1 2 222.292 0.271 20 0 BCADLO CNC(=O)[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000234346841 259667983 /nfs/dbraw/zinc/66/79/83/259667983.db2.gz ANVVVLSWQRFIEC-QMMMGPOBSA-N 1 2 239.323 0.257 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@H](C)O)oc1C ZINC000309278227 385508196 /nfs/dbraw/zinc/50/81/96/385508196.db2.gz FZECNONQORIEDL-QMMMGPOBSA-N 1 2 228.292 0.467 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@H](C)O)oc1C ZINC000309278227 385508200 /nfs/dbraw/zinc/50/82/00/385508200.db2.gz FZECNONQORIEDL-QMMMGPOBSA-N 1 2 228.292 0.467 20 0 BCADLO CC[C@H]([NH2+][C@H](C)c1nc(C)no1)C(N)=O ZINC000309235280 385489318 /nfs/dbraw/zinc/48/93/18/385489318.db2.gz XJYKTZARRMBQHO-VDTYLAMSSA-N 1 2 212.253 0.293 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@H](C)O)CC2)[nH]1 ZINC000309326782 385531675 /nfs/dbraw/zinc/53/16/75/385531675.db2.gz IFLKXTVKNBYISC-QMMMGPOBSA-N 1 2 224.308 0.706 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC1(C)COC1 ZINC000172006283 385541706 /nfs/dbraw/zinc/54/17/06/385541706.db2.gz MELHUCQFQWMMRN-UHFFFAOYSA-N 1 2 233.275 0.812 20 0 BCADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000408034529 385546401 /nfs/dbraw/zinc/54/64/01/385546401.db2.gz GGDKZOUJWKGDNM-ZJUUUORDSA-N 1 2 235.291 0.008 20 0 BCADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000408034529 385546404 /nfs/dbraw/zinc/54/64/04/385546404.db2.gz GGDKZOUJWKGDNM-ZJUUUORDSA-N 1 2 235.291 0.008 20 0 BCADLO Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000364957235 385547034 /nfs/dbraw/zinc/54/70/34/385547034.db2.gz VSGGQCADDXGBMK-WCQGTBRESA-N 1 2 248.330 0.506 20 0 BCADLO Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000364957235 385547040 /nfs/dbraw/zinc/54/70/40/385547040.db2.gz VSGGQCADDXGBMK-WCQGTBRESA-N 1 2 248.330 0.506 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000157854582 385528101 /nfs/dbraw/zinc/52/81/01/385528101.db2.gz DKBIOIZWTKTPRP-UHFFFAOYSA-N 1 2 238.287 0.436 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493298017 385560166 /nfs/dbraw/zinc/56/01/66/385560166.db2.gz FGMGYCKXJXNLLL-BYIQDMNASA-N 1 2 235.287 0.795 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000337322040 385597193 /nfs/dbraw/zinc/59/71/93/385597193.db2.gz CSUGCBLTARGMPE-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408196367 385603391 /nfs/dbraw/zinc/60/33/91/385603391.db2.gz BQQXSERMFUUWGU-NSHDSACASA-N 1 2 240.307 0.109 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000408196367 385603398 /nfs/dbraw/zinc/60/33/98/385603398.db2.gz BQQXSERMFUUWGU-NSHDSACASA-N 1 2 240.307 0.109 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)N1 ZINC000337314229 385604446 /nfs/dbraw/zinc/60/44/46/385604446.db2.gz BIEOGMGKSWMWOW-SECBINFHSA-N 1 2 219.244 0.029 20 0 BCADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CC(=O)N1 ZINC000408161525 385580898 /nfs/dbraw/zinc/58/08/98/385580898.db2.gz NCEMGDPFYIHPPR-SFYZADRCSA-N 1 2 249.270 0.062 20 0 BCADLO Cc1nnc(NC[C@@H]2CN(C)CC[N@@H+]2C)o1 ZINC000309448202 385587341 /nfs/dbraw/zinc/58/73/41/385587341.db2.gz KIMNOMRTJCMBEU-SECBINFHSA-N 1 2 225.296 0.036 20 0 BCADLO Cc1nnc(NC[C@@H]2CN(C)CC[N@H+]2C)o1 ZINC000309448202 385587344 /nfs/dbraw/zinc/58/73/44/385587344.db2.gz KIMNOMRTJCMBEU-SECBINFHSA-N 1 2 225.296 0.036 20 0 BCADLO CC(C)[NH+]1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000408195312 385591216 /nfs/dbraw/zinc/59/12/16/385591216.db2.gz NSEIRJPITGMLHI-UHFFFAOYSA-N 1 2 247.364 0.009 20 0 BCADLO O=C1CCC[C@@H]1[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000365161345 385620581 /nfs/dbraw/zinc/62/05/81/385620581.db2.gz UYZPTYDBMBBJLE-VXGBXAGGSA-N 1 2 249.314 0.980 20 0 BCADLO O=C1CCC[C@@H]1[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000365161345 385620584 /nfs/dbraw/zinc/62/05/84/385620584.db2.gz UYZPTYDBMBBJLE-VXGBXAGGSA-N 1 2 249.314 0.980 20 0 BCADLO CC[C@@H](C)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000647939465 385620610 /nfs/dbraw/zinc/62/06/10/385620610.db2.gz OUWLQEHMPSZKMZ-SNVBAGLBSA-N 1 2 236.319 0.613 20 0 BCADLO COC(=O)C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181980486 385624252 /nfs/dbraw/zinc/62/42/52/385624252.db2.gz HACPZZWZCXQBEA-UHFFFAOYSA-N 1 2 237.299 0.962 20 0 BCADLO COC(=O)C[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000181980486 385624259 /nfs/dbraw/zinc/62/42/59/385624259.db2.gz HACPZZWZCXQBEA-UHFFFAOYSA-N 1 2 237.299 0.962 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000369337126 385627996 /nfs/dbraw/zinc/62/79/96/385627996.db2.gz AAPCCPBHXGIBED-MGPLVRAMSA-N 1 2 247.360 0.640 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000369337126 385628000 /nfs/dbraw/zinc/62/80/00/385628000.db2.gz AAPCCPBHXGIBED-MGPLVRAMSA-N 1 2 247.360 0.640 20 0 BCADLO COC(=O)[C@H]1C[C@H](NC(=O)CCC(C)C)C[NH2+]1 ZINC000365692328 385630223 /nfs/dbraw/zinc/63/02/23/385630223.db2.gz AANFDVREXYMSIX-VHSXEESVSA-N 1 2 242.319 0.442 20 0 BCADLO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000647711190 385607092 /nfs/dbraw/zinc/60/70/92/385607092.db2.gz WOFWRXGIHIDDKL-UWVGGRQHSA-N 1 2 248.330 0.650 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc(O)c(F)c2)n1 ZINC000293449952 385608440 /nfs/dbraw/zinc/60/84/40/385608440.db2.gz CLQKSONISBRXCM-UHFFFAOYSA-N 1 2 236.250 0.950 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000269569409 385610320 /nfs/dbraw/zinc/61/03/20/385610320.db2.gz AKRGISQZSAQRME-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000269569409 385610325 /nfs/dbraw/zinc/61/03/25/385610325.db2.gz AKRGISQZSAQRME-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000365700753 385641079 /nfs/dbraw/zinc/64/10/79/385641079.db2.gz ZWAIERGGFZWHSK-MXWKQRLJSA-N 1 2 235.287 0.604 20 0 BCADLO O=C1N[C@H]2CC[N@H+](Cc3cnc[nH]3)C[C@@H]2CO1 ZINC000281180104 385642456 /nfs/dbraw/zinc/64/24/56/385642456.db2.gz AWDYMDPTLABPDM-SCZZXKLOSA-N 1 2 236.275 0.340 20 0 BCADLO O=C1N[C@H]2CC[N@@H+](Cc3cnc[nH]3)C[C@@H]2CO1 ZINC000281180104 385642461 /nfs/dbraw/zinc/64/24/61/385642461.db2.gz AWDYMDPTLABPDM-SCZZXKLOSA-N 1 2 236.275 0.340 20 0 BCADLO Cn1nncc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000408207329 385660436 /nfs/dbraw/zinc/66/04/36/385660436.db2.gz HGZYYKDBHJOKBH-LLVKDONJSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1nncc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000408207329 385660442 /nfs/dbraw/zinc/66/04/42/385660442.db2.gz HGZYYKDBHJOKBH-LLVKDONJSA-N 1 2 237.307 0.045 20 0 BCADLO CCOCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337463761 385672959 /nfs/dbraw/zinc/67/29/59/385672959.db2.gz QWOLKTKEFCOEQT-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337463761 385672964 /nfs/dbraw/zinc/67/29/64/385672964.db2.gz QWOLKTKEFCOEQT-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO C[C@@H](C(=O)N1[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000518794443 385676634 /nfs/dbraw/zinc/67/66/34/385676634.db2.gz DLHJKTCCDUOULI-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337472985 385677773 /nfs/dbraw/zinc/67/77/73/385677773.db2.gz WQFAUCWXOKDSQW-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@H](F)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337472985 385677779 /nfs/dbraw/zinc/67/77/79/385677779.db2.gz WQFAUCWXOKDSQW-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC000281570905 385681760 /nfs/dbraw/zinc/68/17/60/385681760.db2.gz ZALJFXRWKXJOPK-JTQLQIEISA-N 1 2 222.292 0.432 20 0 BCADLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(N)=O ZINC000281570905 385681764 /nfs/dbraw/zinc/68/17/64/385681764.db2.gz ZALJFXRWKXJOPK-JTQLQIEISA-N 1 2 222.292 0.432 20 0 BCADLO Cn1nccc1CNc1cccc(CO)[nH+]1 ZINC000309547577 385682085 /nfs/dbraw/zinc/68/20/85/385682085.db2.gz DUGVQSGZTXPLNI-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000270210892 385684956 /nfs/dbraw/zinc/68/49/56/385684956.db2.gz DRIAWSQEDWQNSD-PSASIEDQSA-N 1 2 223.276 0.751 20 0 BCADLO COC[C@H]([NH2+]CC(N)=O)c1ccc(C)o1 ZINC000184690269 385691713 /nfs/dbraw/zinc/69/17/13/385691713.db2.gz MOYXIUBAFLOYSC-QMMMGPOBSA-N 1 2 212.249 0.350 20 0 BCADLO COC[C@@H]([NH2+]CC(N)=O)c1ccc(C)o1 ZINC000184690255 385691943 /nfs/dbraw/zinc/69/19/43/385691943.db2.gz MOYXIUBAFLOYSC-MRVPVSSYSA-N 1 2 212.249 0.350 20 0 BCADLO COC[C@H]([NH2+]CC(F)(F)CO)C(C)C ZINC000184711468 385703026 /nfs/dbraw/zinc/70/30/26/385703026.db2.gz PMXUGLPBTQEPHI-QMMMGPOBSA-N 1 2 211.252 0.875 20 0 BCADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)C(=O)NCCF ZINC000337547675 385704006 /nfs/dbraw/zinc/70/40/06/385704006.db2.gz MOANEOUCCDFADU-DTWKUNHWSA-N 1 2 242.298 0.545 20 0 BCADLO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000309576571 385708523 /nfs/dbraw/zinc/70/85/23/385708523.db2.gz PBZVJFJZKVOFFU-RKDXNWHRSA-N 1 2 225.296 0.257 20 0 BCADLO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000309576568 385709782 /nfs/dbraw/zinc/70/97/82/385709782.db2.gz PBZVJFJZKVOFFU-DTWKUNHWSA-N 1 2 225.296 0.257 20 0 BCADLO C[N@H+](Cc1nnc[nH]1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182833531 385710683 /nfs/dbraw/zinc/71/06/83/385710683.db2.gz CNVNSIKQMVUMGI-AAEUAGOBSA-N 1 2 244.298 0.895 20 0 BCADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182833531 385710688 /nfs/dbraw/zinc/71/06/88/385710688.db2.gz CNVNSIKQMVUMGI-AAEUAGOBSA-N 1 2 244.298 0.895 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000451180619 385669692 /nfs/dbraw/zinc/66/96/92/385669692.db2.gz CVLMQCZQKQQFHU-OUAUKWLOSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000451180619 385669696 /nfs/dbraw/zinc/66/96/96/385669696.db2.gz CVLMQCZQKQQFHU-OUAUKWLOSA-N 1 2 244.310 0.666 20 0 BCADLO CC[N@H+](CCOCCO)[C@@H](C)c1nnc(C)o1 ZINC000337460289 385669893 /nfs/dbraw/zinc/66/98/93/385669893.db2.gz ZPTUSUFQGQTHES-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO CC[N@@H+](CCOCCO)[C@@H](C)c1nnc(C)o1 ZINC000337460289 385669899 /nfs/dbraw/zinc/66/98/99/385669899.db2.gz ZPTUSUFQGQTHES-VIFPVBQESA-N 1 2 243.307 0.770 20 0 BCADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)s1 ZINC000336735933 385727701 /nfs/dbraw/zinc/72/77/01/385727701.db2.gz IJPHFKOJPOGHIR-HTRCEHHLSA-N 1 2 240.332 0.776 20 0 BCADLO Cc1nsc(N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000336691941 385729187 /nfs/dbraw/zinc/72/91/87/385729187.db2.gz KVSMHDCIKCRUJK-QMMMGPOBSA-N 1 2 235.316 0.892 20 0 BCADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000309673236 385786065 /nfs/dbraw/zinc/78/60/65/385786065.db2.gz WXYBAMOCADAJHP-QWRGUYRKSA-N 1 2 225.292 0.693 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000270774391 385743038 /nfs/dbraw/zinc/74/30/38/385743038.db2.gz RCYXKGTZUUNHLD-JTQLQIEISA-N 1 2 249.314 0.679 20 0 BCADLO C[C@H](O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000270819515 385749035 /nfs/dbraw/zinc/74/90/35/385749035.db2.gz QWADZYSVHCUYIK-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncnc2nc[nH]c21 ZINC000270891618 385756007 /nfs/dbraw/zinc/75/60/07/385756007.db2.gz CNUHONJWWVWYCT-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccon1 ZINC000336737269 385757627 /nfs/dbraw/zinc/75/76/27/385757627.db2.gz JIENHIVEQJIRDT-QMMMGPOBSA-N 1 2 247.320 0.217 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2ncon2)c[nH+]1 ZINC000270910816 385757541 /nfs/dbraw/zinc/75/75/41/385757541.db2.gz BJOKDEPFDRIFSB-RXMQYKEDSA-N 1 2 221.220 0.592 20 0 BCADLO CC(C)c1nnc(C[NH+]2CCC(O)CC2)[nH]1 ZINC000408377770 385760664 /nfs/dbraw/zinc/76/06/64/385760664.db2.gz ZKYQDWCMACZSQZ-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO CC[C@@H](C(=O)OC)N(C)Cc1[nH+]ccn1C ZINC000271048443 385779392 /nfs/dbraw/zinc/77/93/92/385779392.db2.gz WGVUNVZAOVZXQS-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282727825 385782949 /nfs/dbraw/zinc/78/29/49/385782949.db2.gz CJHLAMDRVKHMBO-HYNBTVFTSA-N 1 2 223.276 0.963 20 0 BCADLO Cc1ccc(NC(=O)CN2CCOCC2)c(C)[nH+]1 ZINC000281998944 385723100 /nfs/dbraw/zinc/72/31/00/385723100.db2.gz QCUZMMOZZQJKCA-UHFFFAOYSA-N 1 2 249.314 0.969 20 0 BCADLO Cn1nncc1C(=O)NCCNc1cccc[nH+]1 ZINC000282009605 385724223 /nfs/dbraw/zinc/72/42/23/385724223.db2.gz OFQRWZXSDXMALM-UHFFFAOYSA-N 1 2 246.274 0.052 20 0 BCADLO C[C@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282772804 385785501 /nfs/dbraw/zinc/78/55/01/385785501.db2.gz LXKOFUVTALTMOM-MOVJSRMASA-N 1 2 223.276 0.700 20 0 BCADLO Cc1nc(N2CCC(=O)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000408383509 385799149 /nfs/dbraw/zinc/79/91/49/385799149.db2.gz BRZPJEONQNQEDY-QMMMGPOBSA-N 1 2 249.318 0.661 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCC(=O)[C@@H](C)C2)[nH+]1 ZINC000408383509 385799155 /nfs/dbraw/zinc/79/91/55/385799155.db2.gz BRZPJEONQNQEDY-QMMMGPOBSA-N 1 2 249.318 0.661 20 0 BCADLO CCN(C(=O)CCn1cc[nH+]c1)[C@@H](C)CO ZINC000294093253 385802842 /nfs/dbraw/zinc/80/28/42/385802842.db2.gz XTATURTVHUCEDT-JTQLQIEISA-N 1 2 225.292 0.503 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283108765 385810942 /nfs/dbraw/zinc/81/09/42/385810942.db2.gz MIPWPFNXKSFBET-IZFUEKCOSA-N 1 2 235.287 0.866 20 0 BCADLO Cn1ccnc1C[NH+]1CC2(C1)CCOC2 ZINC000294167457 385815945 /nfs/dbraw/zinc/81/59/45/385815945.db2.gz WGDJHMWDBASVTH-UHFFFAOYSA-N 1 2 207.277 0.642 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C ZINC000186941255 385818874 /nfs/dbraw/zinc/81/88/74/385818874.db2.gz YEDCOGZBXIHWGJ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C ZINC000186941255 385818877 /nfs/dbraw/zinc/81/88/77/385818877.db2.gz YEDCOGZBXIHWGJ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO CCc1nocc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414568696 385826606 /nfs/dbraw/zinc/82/66/06/385826606.db2.gz HUVNLAHKJUWNJP-BXKDBHETSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414568696 385826612 /nfs/dbraw/zinc/82/66/12/385826612.db2.gz HUVNLAHKJUWNJP-BXKDBHETSA-N 1 2 240.303 0.819 20 0 BCADLO CN1C(=O)[C@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000365887527 385833290 /nfs/dbraw/zinc/83/32/90/385833290.db2.gz ZKYZIZOIBKMDRC-SECBINFHSA-N 1 2 246.270 0.164 20 0 BCADLO COC(=O)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000284231645 385858083 /nfs/dbraw/zinc/85/80/83/385858083.db2.gz BPVAHQNHKIGHOH-ONEGZZNKSA-N 1 2 249.270 0.635 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CC[C@@H](C)O)CCO1 ZINC000122905392 385835853 /nfs/dbraw/zinc/83/58/53/385835853.db2.gz AARMVORBVFPOKW-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CC[C@@H](C)O)CCO1 ZINC000122905392 385835856 /nfs/dbraw/zinc/83/58/56/385835856.db2.gz AARMVORBVFPOKW-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ccccc1O ZINC000112676630 385840966 /nfs/dbraw/zinc/84/09/66/385840966.db2.gz WPZGVVHQRMAKNU-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccon1 ZINC000271653294 385843553 /nfs/dbraw/zinc/84/35/53/385843553.db2.gz VRVREMZIHMVVDW-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccon1 ZINC000271653294 385843555 /nfs/dbraw/zinc/84/35/55/385843555.db2.gz VRVREMZIHMVVDW-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccon1 ZINC000271653294 385843561 /nfs/dbraw/zinc/84/35/61/385843561.db2.gz VRVREMZIHMVVDW-NSHDSACASA-N 1 2 239.319 0.827 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@@H]1O ZINC000284041014 385847322 /nfs/dbraw/zinc/84/73/22/385847322.db2.gz PVSFQXDNNHEQGT-IPFDCLDFSA-N 1 2 235.287 0.700 20 0 BCADLO CCOCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271745259 385848240 /nfs/dbraw/zinc/84/82/40/385848240.db2.gz WLOIOPKGOOWIBO-UHFFFAOYSA-N 1 2 240.307 0.598 20 0 BCADLO CC(C)c1noc(C[N@@H+](CCO)C[C@H](C)O)n1 ZINC000336725576 385854778 /nfs/dbraw/zinc/85/47/78/385854778.db2.gz VFPSFNNDPGRZMP-VIFPVBQESA-N 1 2 243.307 0.368 20 0 BCADLO CC(C)c1noc(C[N@H+](CCO)C[C@H](C)O)n1 ZINC000336725576 385854779 /nfs/dbraw/zinc/85/47/79/385854779.db2.gz VFPSFNNDPGRZMP-VIFPVBQESA-N 1 2 243.307 0.368 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](CO)[C@H]2CCCO2)o1 ZINC000309687713 385788783 /nfs/dbraw/zinc/78/87/83/385788783.db2.gz HVDRYGSYFVDDAH-VHSXEESVSA-N 1 2 226.276 0.613 20 0 BCADLO Cc1cnc(C[NH2+]C[C@@H](O)C(F)(F)F)n1C ZINC000309688407 385789604 /nfs/dbraw/zinc/78/96/04/385789604.db2.gz IEDIEAOLIFELEB-SSDOTTSWSA-N 1 2 237.225 0.741 20 0 BCADLO Cc1c[nH+]c(CNC[C@@H](O)C(F)(F)F)n1C ZINC000309688407 385789607 /nfs/dbraw/zinc/78/96/07/385789607.db2.gz IEDIEAOLIFELEB-SSDOTTSWSA-N 1 2 237.225 0.741 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000495731468 533147226 /nfs/dbraw/zinc/14/72/26/533147226.db2.gz SVGOTOCVPUAYKJ-MRVPVSSYSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000495731468 533147230 /nfs/dbraw/zinc/14/72/30/533147230.db2.gz SVGOTOCVPUAYKJ-MRVPVSSYSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CC=C(C)CC1)[C@@H](C)O ZINC000294711731 385885629 /nfs/dbraw/zinc/88/56/29/385885629.db2.gz OTKJQADSVJWZFQ-OUAUKWLOSA-N 1 2 227.304 0.997 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285451455 385928776 /nfs/dbraw/zinc/92/87/76/385928776.db2.gz JCTXZESZSSXHMT-NSHDSACASA-N 1 2 248.282 0.475 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285451455 385928785 /nfs/dbraw/zinc/92/87/85/385928785.db2.gz JCTXZESZSSXHMT-NSHDSACASA-N 1 2 248.282 0.475 20 0 BCADLO COCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338101603 385892436 /nfs/dbraw/zinc/89/24/36/385892436.db2.gz VXTAKIXJUAXBPM-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1nc(N2Cc3c[nH]nc3C2)nc(N(C)C)[nH+]1 ZINC000647843504 385892743 /nfs/dbraw/zinc/89/27/43/385892743.db2.gz SWTKJEIQPGDOHX-UHFFFAOYSA-N 1 2 245.290 0.489 20 0 BCADLO Cc1nc(N(C)C)nc(N2Cc3c[nH]nc3C2)[nH+]1 ZINC000647843504 385892746 /nfs/dbraw/zinc/89/27/46/385892746.db2.gz SWTKJEIQPGDOHX-UHFFFAOYSA-N 1 2 245.290 0.489 20 0 BCADLO O=C([C@@H]1C[C@@H]1C(F)F)N1CC[NH+](CCO)CC1 ZINC000338126189 385896460 /nfs/dbraw/zinc/89/64/60/385896460.db2.gz IOSACZJHCJEGDX-DTWKUNHWSA-N 1 2 248.273 0.024 20 0 BCADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC(O)C1 ZINC000272371637 385898292 /nfs/dbraw/zinc/89/82/92/385898292.db2.gz UOUVRUPSPZBIHV-UHFFFAOYSA-N 1 2 244.254 0.084 20 0 BCADLO Cn1cncc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000340196721 385899710 /nfs/dbraw/zinc/89/97/10/385899710.db2.gz GQJSRHFQSRCCIC-GFCCVEGCSA-N 1 2 244.298 0.736 20 0 BCADLO Cc1noc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000272398242 385899874 /nfs/dbraw/zinc/89/98/74/385899874.db2.gz WYTMYXLAMGSKGW-UHFFFAOYSA-N 1 2 236.235 0.396 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(F)(F)C1 ZINC000643241107 385901135 /nfs/dbraw/zinc/90/11/35/385901135.db2.gz YHTNBOBGYISMQB-UHFFFAOYSA-N 1 2 201.176 0.361 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C(F)F ZINC000338121074 385901366 /nfs/dbraw/zinc/90/13/66/385901366.db2.gz OYILVOKMUOQJAL-RNFRBKRXSA-N 1 2 229.230 0.938 20 0 BCADLO Cc1nc(N[C@@H](C)CCCO)nc(N)[nH+]1 ZINC000308869699 385902235 /nfs/dbraw/zinc/90/22/35/385902235.db2.gz MGTHGSAEMVQAMV-LURJTMIESA-N 1 2 211.269 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)CCCO)[nH+]1 ZINC000308869699 385902242 /nfs/dbraw/zinc/90/22/42/385902242.db2.gz MGTHGSAEMVQAMV-LURJTMIESA-N 1 2 211.269 0.335 20 0 BCADLO CCOCCCNc1nc(C)[nH+]c(N)n1 ZINC000308870555 385903174 /nfs/dbraw/zinc/90/31/74/385903174.db2.gz MOGCCBIPZDJBFX-UHFFFAOYSA-N 1 2 211.269 0.601 20 0 BCADLO CCOCCCNc1nc(N)nc(C)[nH+]1 ZINC000308870555 385903180 /nfs/dbraw/zinc/90/31/80/385903180.db2.gz MOGCCBIPZDJBFX-UHFFFAOYSA-N 1 2 211.269 0.601 20 0 BCADLO CC(=O)N1CC[NH+](Cc2conc2C)CC1 ZINC000294872452 385907957 /nfs/dbraw/zinc/90/79/57/385907957.db2.gz KFKREACQRXXGNR-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO COC[C@](C)(CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272521695 385908595 /nfs/dbraw/zinc/90/85/95/385908595.db2.gz RWZCXDOICSNPGL-NSHDSACASA-N 1 2 241.291 0.235 20 0 BCADLO COC[C@H]([NH2+]C[C@@H]1CCSC1)C(=O)OC ZINC000336745966 385910464 /nfs/dbraw/zinc/91/04/64/385910464.db2.gz AUVSENVWQJRQHZ-IUCAKERBSA-N 1 2 233.333 0.517 20 0 BCADLO CC[C@](C)(CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000272526868 385911608 /nfs/dbraw/zinc/91/16/08/385911608.db2.gz SQVZEHZYWWNFAQ-LLVKDONJSA-N 1 2 225.292 0.999 20 0 BCADLO C[C@H](O)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000647859220 385912291 /nfs/dbraw/zinc/91/22/91/385912291.db2.gz AXHRZQBEKUJEGU-ZETCQYMHSA-N 1 2 224.264 0.098 20 0 BCADLO C[C@H](O)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000647859220 385912296 /nfs/dbraw/zinc/91/22/96/385912296.db2.gz AXHRZQBEKUJEGU-ZETCQYMHSA-N 1 2 224.264 0.098 20 0 BCADLO CC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000338193515 385912644 /nfs/dbraw/zinc/91/26/44/385912644.db2.gz SWHKMKUKXGNFBU-UHFFFAOYSA-N 1 2 207.277 0.831 20 0 BCADLO C[C@@H]1OCC[C@H]1[S@@](=O)Cc1c[nH+]cn1C ZINC000338224760 385918544 /nfs/dbraw/zinc/91/85/44/385918544.db2.gz KTAFZGDDMZJSGE-FLBPPNCPSA-N 1 2 228.317 0.846 20 0 BCADLO CCc1nc(C[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000123891900 385922263 /nfs/dbraw/zinc/92/22/63/385922263.db2.gz MILAUBYZWTYSRW-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nc(C[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000123891900 385922266 /nfs/dbraw/zinc/92/22/66/385922266.db2.gz MILAUBYZWTYSRW-NSHDSACASA-N 1 2 225.292 0.979 20 0 BCADLO CO[C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000294503921 385859426 /nfs/dbraw/zinc/85/94/26/385859426.db2.gz JYGZZCMAGAOPRO-LLVKDONJSA-N 1 2 237.303 0.814 20 0 BCADLO CCOCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000308318898 385859714 /nfs/dbraw/zinc/85/97/14/385859714.db2.gz YYRXWGSCWQMKOM-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO CCOCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000308318898 385859719 /nfs/dbraw/zinc/85/97/19/385859719.db2.gz YYRXWGSCWQMKOM-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO CCN(CCO)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294511880 385861555 /nfs/dbraw/zinc/86/15/55/385861555.db2.gz UDQDUOWHKMIYPY-VIFPVBQESA-N 1 2 240.307 0.088 20 0 BCADLO CCN(CCO)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294511880 385861560 /nfs/dbraw/zinc/86/15/60/385861560.db2.gz UDQDUOWHKMIYPY-VIFPVBQESA-N 1 2 240.307 0.088 20 0 BCADLO C[C@@H](CNC(=O)c1cnn(C)n1)Cn1cc[nH+]c1 ZINC000284312638 385861635 /nfs/dbraw/zinc/86/16/35/385861635.db2.gz KFKAXYWDDFDTJK-VIFPVBQESA-N 1 2 248.290 0.078 20 0 BCADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000284436391 385869476 /nfs/dbraw/zinc/86/94/76/385869476.db2.gz PRNNEIVGJYHUTH-NCDNIOQDSA-N 1 2 235.287 0.652 20 0 BCADLO Cn1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000272046964 385871674 /nfs/dbraw/zinc/87/16/74/385871674.db2.gz POWZIESYXKFPKH-GFCCVEGCSA-N 1 2 248.330 0.617 20 0 BCADLO Cn1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000272046964 385871677 /nfs/dbraw/zinc/87/16/77/385871677.db2.gz POWZIESYXKFPKH-GFCCVEGCSA-N 1 2 248.330 0.617 20 0 BCADLO FC1(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)CC1 ZINC000644841050 385875028 /nfs/dbraw/zinc/87/50/28/385875028.db2.gz MXFNHVOSJZOYFC-ZJUUUORDSA-N 1 2 215.268 0.978 20 0 BCADLO FC1(C[N@H+]2CCO[C@H]3CCOC[C@H]32)CC1 ZINC000644841050 385875035 /nfs/dbraw/zinc/87/50/35/385875035.db2.gz MXFNHVOSJZOYFC-ZJUUUORDSA-N 1 2 215.268 0.978 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)NC2CC2)nc1 ZINC000272120477 385877251 /nfs/dbraw/zinc/87/72/51/385877251.db2.gz PUNLLUAIAUHJTB-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)NC2CC2)nc1 ZINC000272120477 385877256 /nfs/dbraw/zinc/87/72/56/385877256.db2.gz PUNLLUAIAUHJTB-UHFFFAOYSA-N 1 2 249.314 0.801 20 0 BCADLO C[C@@](O)(CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000647735851 385877687 /nfs/dbraw/zinc/87/76/87/385877687.db2.gz OXDMBQRTEWQUMX-CYBMUJFWSA-N 1 2 249.314 0.846 20 0 BCADLO C[C@@](O)(CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000647735851 385877690 /nfs/dbraw/zinc/87/76/90/385877690.db2.gz OXDMBQRTEWQUMX-CYBMUJFWSA-N 1 2 249.314 0.846 20 0 BCADLO CC1CC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636881368 385879677 /nfs/dbraw/zinc/87/96/77/385879677.db2.gz BICOPZWXFRYKIO-UDNWOFFPSA-N 1 2 234.303 0.906 20 0 BCADLO c1cnc(NCC[NH+]2CCOCC2)nc1 ZINC000021818126 385881413 /nfs/dbraw/zinc/88/14/13/385881413.db2.gz DPNFCTZICCHWJU-UHFFFAOYSA-N 1 2 208.265 0.221 20 0 BCADLO C[C@@H](O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000272176324 385881387 /nfs/dbraw/zinc/88/13/87/385881387.db2.gz HIAXQRZIVUWUHE-MRVPVSSYSA-N 1 2 219.244 0.331 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978487 /nfs/dbraw/zinc/97/84/87/385978487.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978491 /nfs/dbraw/zinc/97/84/91/385978491.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978494 /nfs/dbraw/zinc/97/84/94/385978494.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978497 /nfs/dbraw/zinc/97/84/97/385978497.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978501 /nfs/dbraw/zinc/97/85/01/385978501.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@@H](O)Cc1ccccc1 ZINC000295149644 385978504 /nfs/dbraw/zinc/97/85/04/385978504.db2.gz BIRZBEZEYKUOOD-ZDUSSCGKSA-N 1 2 246.314 0.840 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccon1 ZINC000336747982 385981274 /nfs/dbraw/zinc/98/12/74/385981274.db2.gz CYWRHLBNGIRMCN-VXNVDRBHSA-N 1 2 209.249 0.604 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000338385557 385984975 /nfs/dbraw/zinc/98/49/75/385984975.db2.gz VMRUAXRGMAOOIG-TXEJJXNPSA-N 1 2 237.303 0.328 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000338385557 385984993 /nfs/dbraw/zinc/98/49/93/385984993.db2.gz VMRUAXRGMAOOIG-TXEJJXNPSA-N 1 2 237.303 0.328 20 0 BCADLO C[C@@H]1Cc2[nH+]cn(Cc3nc(=O)[nH][nH]3)c2C[C@H]1C ZINC000295185816 385988385 /nfs/dbraw/zinc/98/83/85/385988385.db2.gz QJJXWYHWZJPODA-HTQZYQBOSA-N 1 2 247.302 0.714 20 0 BCADLO C[C@H]1SCC[N@H+](Cc2nnnn2C)[C@@H]1C ZINC000345084877 385990919 /nfs/dbraw/zinc/99/09/19/385990919.db2.gz LBUFBTJOTIPWHR-HTQZYQBOSA-N 1 2 227.337 0.536 20 0 BCADLO C[C@H]1SCC[N@@H+](Cc2nnnn2C)[C@@H]1C ZINC000345084877 385990924 /nfs/dbraw/zinc/99/09/24/385990924.db2.gz LBUFBTJOTIPWHR-HTQZYQBOSA-N 1 2 227.337 0.536 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000342127126 385933632 /nfs/dbraw/zinc/93/36/32/385933632.db2.gz LQRRIHBVPSSXFU-UHFFFAOYSA-N 1 2 232.291 0.368 20 0 BCADLO Cc1cnn(CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000342127126 385933637 /nfs/dbraw/zinc/93/36/37/385933637.db2.gz LQRRIHBVPSSXFU-UHFFFAOYSA-N 1 2 232.291 0.368 20 0 BCADLO COC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000014207477 385935927 /nfs/dbraw/zinc/93/59/27/385935927.db2.gz IIDNFBPWFINOCM-SSDOTTSWSA-N 1 2 221.264 0.810 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084472 385937295 /nfs/dbraw/zinc/93/72/95/385937295.db2.gz BBHXMNDLDFNNOY-MXWKQRLJSA-N 1 2 226.320 0.764 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084472 385937298 /nfs/dbraw/zinc/93/72/98/385937298.db2.gz BBHXMNDLDFNNOY-MXWKQRLJSA-N 1 2 226.320 0.764 20 0 BCADLO COC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000342176453 385938502 /nfs/dbraw/zinc/93/85/02/385938502.db2.gz HDAFGRVMSZWFEH-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC000338275556 385938482 /nfs/dbraw/zinc/93/84/82/385938482.db2.gz NOEIMUPPUROCLD-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)nc1 ZINC000338275556 385938485 /nfs/dbraw/zinc/93/84/85/385938485.db2.gz NOEIMUPPUROCLD-NSHDSACASA-N 1 2 235.287 0.411 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342140721 385945868 /nfs/dbraw/zinc/94/58/68/385945868.db2.gz ICUBLTNJLGKETN-LPEHRKFASA-N 1 2 212.293 0.326 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342140721 385945873 /nfs/dbraw/zinc/94/58/73/385945873.db2.gz ICUBLTNJLGKETN-LPEHRKFASA-N 1 2 212.293 0.326 20 0 BCADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342156469 385946457 /nfs/dbraw/zinc/94/64/57/385946457.db2.gz RIJCDRCDJNVNEV-TXEJJXNPSA-N 1 2 238.331 0.718 20 0 BCADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342156469 385946467 /nfs/dbraw/zinc/94/64/67/385946467.db2.gz RIJCDRCDJNVNEV-TXEJJXNPSA-N 1 2 238.331 0.718 20 0 BCADLO COC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000272934154 385952994 /nfs/dbraw/zinc/95/29/94/385952994.db2.gz NDTADOYIHRHFER-UHFFFAOYSA-N 1 2 223.276 0.568 20 0 BCADLO COC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000272957065 385955546 /nfs/dbraw/zinc/95/55/46/385955546.db2.gz PBRMRPKOGPHQHC-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297283 385955612 /nfs/dbraw/zinc/95/56/12/385955612.db2.gz VXGIWJRTEAOOCO-KOLCDFICSA-N 1 2 227.304 0.701 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297283 385955621 /nfs/dbraw/zinc/95/56/21/385955621.db2.gz VXGIWJRTEAOOCO-KOLCDFICSA-N 1 2 227.304 0.701 20 0 BCADLO C[N@H+]([C@@H](C(N)=O)c1ccccc1)[C@H]1CCNC1=O ZINC000340221918 385999048 /nfs/dbraw/zinc/99/90/48/385999048.db2.gz LLRSRDCUGCVPDR-WDEREUQCSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@@H+]([C@@H](C(N)=O)c1ccccc1)[C@H]1CCNC1=O ZINC000340221918 385999054 /nfs/dbraw/zinc/99/90/54/385999054.db2.gz LLRSRDCUGCVPDR-WDEREUQCSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@H+]([C@H](C(N)=O)c1ccccc1)[C@H]1CCNC1=O ZINC000340221917 385999350 /nfs/dbraw/zinc/99/93/50/385999350.db2.gz LLRSRDCUGCVPDR-QWRGUYRKSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@@H+]([C@H](C(N)=O)c1ccccc1)[C@H]1CCNC1=O ZINC000340221917 385999355 /nfs/dbraw/zinc/99/93/55/385999355.db2.gz LLRSRDCUGCVPDR-QWRGUYRKSA-N 1 2 247.298 0.033 20 0 BCADLO C[N@H+]([C@H](C(N)=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000340221916 386000860 /nfs/dbraw/zinc/00/08/60/386000860.db2.gz LLRSRDCUGCVPDR-MNOVXSKESA-N 1 2 247.298 0.033 20 0 BCADLO C[N@@H+]([C@H](C(N)=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000340221916 386000863 /nfs/dbraw/zinc/00/08/63/386000863.db2.gz LLRSRDCUGCVPDR-MNOVXSKESA-N 1 2 247.298 0.033 20 0 BCADLO COC[C@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000295274150 386003079 /nfs/dbraw/zinc/00/30/79/386003079.db2.gz HXHRTOQVHKOHDS-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000295274150 386003082 /nfs/dbraw/zinc/00/30/82/386003082.db2.gz HXHRTOQVHKOHDS-LLVKDONJSA-N 1 2 226.276 0.830 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000124215108 386003108 /nfs/dbraw/zinc/00/31/08/386003108.db2.gz PPADPGOTKKMJMR-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000124215108 386003113 /nfs/dbraw/zinc/00/31/13/386003113.db2.gz PPADPGOTKKMJMR-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CC(=O)NC2CC2)n1 ZINC000336750840 386006786 /nfs/dbraw/zinc/00/67/86/386006786.db2.gz UZFVWBKJGPBNBD-LURJTMIESA-N 1 2 224.264 0.307 20 0 BCADLO CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335067754 386012701 /nfs/dbraw/zinc/01/27/01/386012701.db2.gz HLPMTUILLAIBDA-SECBINFHSA-N 1 2 222.292 0.939 20 0 BCADLO C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976086 386015549 /nfs/dbraw/zinc/01/55/49/386015549.db2.gz NJNYYCCDTHKHHK-UPJWGTAASA-N 1 2 240.395 0.010 20 0 BCADLO COC[C@@H]([NH2+][C@H](C(=O)OC)C1CC1)C1CC1 ZINC000336752431 386017065 /nfs/dbraw/zinc/01/70/65/386017065.db2.gz DINRBDQWSCUKTM-MNOVXSKESA-N 1 2 227.304 0.953 20 0 BCADLO Cn1c[nH+]cc1CSc1ncnn1C ZINC000273606706 386017106 /nfs/dbraw/zinc/01/71/06/386017106.db2.gz OISYTLIPTCANTA-UHFFFAOYSA-N 1 2 209.278 0.841 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226323 386020617 /nfs/dbraw/zinc/02/06/17/386020617.db2.gz PKMIYLSGEJDDRZ-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226323 386020627 /nfs/dbraw/zinc/02/06/27/386020627.db2.gz PKMIYLSGEJDDRZ-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226195 386021412 /nfs/dbraw/zinc/02/14/12/386021412.db2.gz OUPAVUCTZZKKMG-UWVGGRQHSA-N 1 2 241.335 0.062 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226195 386021417 /nfs/dbraw/zinc/02/14/17/386021417.db2.gz OUPAVUCTZZKKMG-UWVGGRQHSA-N 1 2 241.335 0.062 20 0 BCADLO Cc1cc(N2CCSC[C@@H]2CO)nc[nH+]1 ZINC000345192627 386056648 /nfs/dbraw/zinc/05/66/48/386056648.db2.gz VALGCUCDNACWSN-VIFPVBQESA-N 1 2 225.317 0.699 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226972 386031408 /nfs/dbraw/zinc/03/14/08/386031408.db2.gz VRUCZNQQOCJYPQ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226972 386031414 /nfs/dbraw/zinc/03/14/14/386031414.db2.gz VRUCZNQQOCJYPQ-ZJUUUORDSA-N 1 2 241.335 0.112 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226970 386032588 /nfs/dbraw/zinc/03/25/88/386032588.db2.gz VRUCZNQQOCJYPQ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CCCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226970 386032592 /nfs/dbraw/zinc/03/25/92/386032592.db2.gz VRUCZNQQOCJYPQ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO Nc1c(N[C@H]2C[C@@H](O)C2)[nH+]cnc1-n1cccn1 ZINC000295454578 386034663 /nfs/dbraw/zinc/03/46/63/386034663.db2.gz WQHXTTLBAUYYGS-OCAPTIKFSA-N 1 2 246.274 0.180 20 0 BCADLO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000189661634 386057027 /nfs/dbraw/zinc/05/70/27/386057027.db2.gz SNXURCJUFSFPSC-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000189661634 386057037 /nfs/dbraw/zinc/05/70/37/386057037.db2.gz SNXURCJUFSFPSC-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(C)(C)CC2)nc1=O ZINC000334432617 386052460 /nfs/dbraw/zinc/05/24/60/386052460.db2.gz WZLIMPMTQMQUGK-UHFFFAOYSA-N 1 2 224.308 0.730 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)no1 ZINC000334454517 386103308 /nfs/dbraw/zinc/10/33/08/386103308.db2.gz FIPRNBYAXZYESC-GHMZBOCLSA-N 1 2 235.287 0.693 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)no1 ZINC000334454517 386103313 /nfs/dbraw/zinc/10/33/13/386103313.db2.gz FIPRNBYAXZYESC-GHMZBOCLSA-N 1 2 235.287 0.693 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000345315753 386103644 /nfs/dbraw/zinc/10/36/44/386103644.db2.gz LTQJAABLJPQLNF-VXGBXAGGSA-N 1 2 240.347 0.871 20 0 BCADLO Cc1noc(C[NH2+]C[C@@H](O)COC(C)C)n1 ZINC000038034923 386113572 /nfs/dbraw/zinc/11/35/72/386113572.db2.gz VTNWRIKSRRNWBR-SECBINFHSA-N 1 2 229.280 0.254 20 0 BCADLO C[C@@]1(F)CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000334461379 386117489 /nfs/dbraw/zinc/11/74/89/386117489.db2.gz OUFSOWJUBKSYMH-LLVKDONJSA-N 1 2 243.282 0.409 20 0 BCADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000334461379 386117496 /nfs/dbraw/zinc/11/74/96/386117496.db2.gz OUFSOWJUBKSYMH-LLVKDONJSA-N 1 2 243.282 0.409 20 0 BCADLO COC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451617391 386119894 /nfs/dbraw/zinc/11/98/94/386119894.db2.gz XUSTXGMZVABUKH-CMPLNLGQSA-N 1 2 227.304 0.546 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345833313 386120288 /nfs/dbraw/zinc/12/02/88/386120288.db2.gz YTZYZYAZSGYCHD-SFYZADRCSA-N 1 2 236.262 0.261 20 0 BCADLO Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)o1 ZINC000334435425 386058408 /nfs/dbraw/zinc/05/84/08/386058408.db2.gz OSRIBHAZBHPRMH-UHFFFAOYSA-N 1 2 238.287 0.225 20 0 BCADLO Cc1nc(N2CCN3C(=O)CC[C@H]3C2)cc[nH+]1 ZINC000345166469 386062629 /nfs/dbraw/zinc/06/26/29/386062629.db2.gz CRLXZDPPUVEARZ-JTQLQIEISA-N 1 2 232.287 0.596 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587603 386062516 /nfs/dbraw/zinc/06/25/16/386062516.db2.gz KBLOOMNNDLWBEE-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587603 386062523 /nfs/dbraw/zinc/06/25/23/386062523.db2.gz KBLOOMNNDLWBEE-ZYHUDNBSSA-N 1 2 246.326 0.698 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590083 386066274 /nfs/dbraw/zinc/06/62/74/386066274.db2.gz RMUHYRYCEQEPAS-CMPLNLGQSA-N 1 2 246.326 0.650 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590083 386066278 /nfs/dbraw/zinc/06/62/78/386066278.db2.gz RMUHYRYCEQEPAS-CMPLNLGQSA-N 1 2 246.326 0.650 20 0 BCADLO C[C@](O)(C[N@@H+]1CC[C@](F)(CO)C1)C(F)(F)F ZINC000338593311 386066714 /nfs/dbraw/zinc/06/67/14/386066714.db2.gz JCZHGOMWRRYZQV-JGVFFNPUSA-N 1 2 245.216 0.706 20 0 BCADLO C[C@](O)(C[N@H+]1CC[C@](F)(CO)C1)C(F)(F)F ZINC000338593311 386066721 /nfs/dbraw/zinc/06/67/21/386066721.db2.gz JCZHGOMWRRYZQV-JGVFFNPUSA-N 1 2 245.216 0.706 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000189709958 386073666 /nfs/dbraw/zinc/07/36/66/386073666.db2.gz JVSFJCPWVDCIGX-SNVBAGLBSA-N 1 2 225.292 0.647 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000189709958 386073672 /nfs/dbraw/zinc/07/36/72/386073672.db2.gz JVSFJCPWVDCIGX-SNVBAGLBSA-N 1 2 225.292 0.647 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425441364 386074286 /nfs/dbraw/zinc/07/42/86/386074286.db2.gz FOSMCZLBNDODNC-YFKPBYRVSA-N 1 2 221.207 0.820 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425441364 386074289 /nfs/dbraw/zinc/07/42/89/386074289.db2.gz FOSMCZLBNDODNC-YFKPBYRVSA-N 1 2 221.207 0.820 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623338 386075796 /nfs/dbraw/zinc/07/57/96/386075796.db2.gz FPVZTGOAUMTIGU-ONGXEEELSA-N 1 2 231.267 0.344 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338623338 386075800 /nfs/dbraw/zinc/07/58/00/386075800.db2.gz FPVZTGOAUMTIGU-ONGXEEELSA-N 1 2 231.267 0.344 20 0 BCADLO O=c1ccccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334445482 386078575 /nfs/dbraw/zinc/07/85/75/386078575.db2.gz JJMVMWYQJYFMLG-TXEJJXNPSA-N 1 2 234.299 0.712 20 0 BCADLO O=c1ccccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334445482 386078581 /nfs/dbraw/zinc/07/85/81/386078581.db2.gz JJMVMWYQJYFMLG-TXEJJXNPSA-N 1 2 234.299 0.712 20 0 BCADLO C[C@H](CNC(=O)c1cncnc1)Cn1cc[nH+]c1 ZINC000274187634 386081934 /nfs/dbraw/zinc/08/19/34/386081934.db2.gz JRHVFFQEGCOMRH-SNVBAGLBSA-N 1 2 245.286 0.739 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189738543 386084274 /nfs/dbraw/zinc/08/42/74/386084274.db2.gz SDWAACUVBWACBB-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189738543 386084282 /nfs/dbraw/zinc/08/42/82/386084282.db2.gz SDWAACUVBWACBB-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000189798695 386087161 /nfs/dbraw/zinc/08/71/61/386087161.db2.gz CHHAEPRFDCPORR-PSASIEDQSA-N 1 2 225.296 0.118 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000189798695 386087166 /nfs/dbraw/zinc/08/71/66/386087166.db2.gz CHHAEPRFDCPORR-PSASIEDQSA-N 1 2 225.296 0.118 20 0 BCADLO Cc1nc(NCC2(CO)CCCC2)nc(N)[nH+]1 ZINC000310100041 386096476 /nfs/dbraw/zinc/09/64/76/386096476.db2.gz KGVYJHXGXGWLNA-UHFFFAOYSA-N 1 2 237.307 0.727 20 0 BCADLO Cc1nc(N)nc(NCC2(CO)CCCC2)[nH+]1 ZINC000310100041 386096483 /nfs/dbraw/zinc/09/64/83/386096483.db2.gz KGVYJHXGXGWLNA-UHFFFAOYSA-N 1 2 237.307 0.727 20 0 BCADLO Cn1cc[nH+]c1CNS(=O)(=O)CCCCF ZINC000287726173 386144359 /nfs/dbraw/zinc/14/43/59/386144359.db2.gz HDNDJEDWDKQLSE-UHFFFAOYSA-N 1 2 249.311 0.589 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccco1 ZINC000190084613 386145597 /nfs/dbraw/zinc/14/55/97/386145597.db2.gz GQFSNSHZTTZIPE-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccco1 ZINC000190084613 386145602 /nfs/dbraw/zinc/14/56/02/386145602.db2.gz GQFSNSHZTTZIPE-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[N@H+](Cc1cccc2nccn21)[C@@H]1CCNC1=O ZINC000334474177 386148820 /nfs/dbraw/zinc/14/88/20/386148820.db2.gz MIIJNEICJQUBGV-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO C[N@@H+](Cc1cccc2nccn21)[C@@H]1CCNC1=O ZINC000334474177 386148824 /nfs/dbraw/zinc/14/88/24/386148824.db2.gz MIIJNEICJQUBGV-LLVKDONJSA-N 1 2 244.298 0.655 20 0 BCADLO C=Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338960557 386189955 /nfs/dbraw/zinc/18/99/55/386189955.db2.gz CLFRZEFDHUXAJR-TXEJJXNPSA-N 1 2 235.287 0.583 20 0 BCADLO C=Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338960557 386189959 /nfs/dbraw/zinc/18/99/59/386189959.db2.gz CLFRZEFDHUXAJR-TXEJJXNPSA-N 1 2 235.287 0.583 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)cn1 ZINC000164607384 386156155 /nfs/dbraw/zinc/15/61/55/386156155.db2.gz ZRLKQDHBYCGKNE-UHFFFAOYSA-N 1 2 220.207 0.874 20 0 BCADLO Cn1c[nH+]cc1CN1CCO[C@]2(CCOC2)C1 ZINC000346173496 386160429 /nfs/dbraw/zinc/16/04/29/386160429.db2.gz AEVMGCQBLJYHAH-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cncc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000346173496 386160434 /nfs/dbraw/zinc/16/04/34/386160434.db2.gz AEVMGCQBLJYHAH-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cncc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000346173496 386160435 /nfs/dbraw/zinc/16/04/35/386160435.db2.gz AEVMGCQBLJYHAH-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000310258820 386166965 /nfs/dbraw/zinc/16/69/65/386166965.db2.gz PZVDCFVTHDRFHY-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@H]2CCCOC2)[nH+]1 ZINC000310258820 386166972 /nfs/dbraw/zinc/16/69/72/386166972.db2.gz PZVDCFVTHDRFHY-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO COCCOCCN(C)c1cc(CO)cc[nH+]1 ZINC000310232665 386169330 /nfs/dbraw/zinc/16/93/30/386169330.db2.gz ZMNOYBROISAEKI-UHFFFAOYSA-N 1 2 240.303 0.673 20 0 BCADLO Cc1nc(N2CC(NC(=O)C3CC3)C2)cc[nH+]1 ZINC000275007094 386170961 /nfs/dbraw/zinc/17/09/61/386170961.db2.gz IEHVTXCYBIJZBR-UHFFFAOYSA-N 1 2 232.287 0.500 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@](C)(O)C1 ZINC000408349624 386172300 /nfs/dbraw/zinc/17/23/00/386172300.db2.gz LATHJBMVRVLQBT-KCJUWKMLSA-N 1 2 237.307 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@](C)(O)C1 ZINC000408349624 386172304 /nfs/dbraw/zinc/17/23/04/386172304.db2.gz LATHJBMVRVLQBT-KCJUWKMLSA-N 1 2 237.307 0.526 20 0 BCADLO CCC[N@H+](CC(N)=O)[C@H](CC)C(=O)OCC ZINC000190348177 386172660 /nfs/dbraw/zinc/17/26/60/386172660.db2.gz OOBMWQYNSMRQPS-SECBINFHSA-N 1 2 230.308 0.525 20 0 BCADLO CCC[N@@H+](CC(N)=O)[C@H](CC)C(=O)OCC ZINC000190348177 386172663 /nfs/dbraw/zinc/17/26/63/386172663.db2.gz OOBMWQYNSMRQPS-SECBINFHSA-N 1 2 230.308 0.525 20 0 BCADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1=CCC1 ZINC000415980713 386175046 /nfs/dbraw/zinc/17/50/46/386175046.db2.gz ABHQXDDJTXCSSS-UHFFFAOYSA-N 1 2 238.331 0.934 20 0 BCADLO Cc1ocnc1C(=O)NCCCn1cc[nH+]c1 ZINC000263821083 386179980 /nfs/dbraw/zinc/17/99/80/386179980.db2.gz UPHAVEKHNSDHQG-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288298591 386183252 /nfs/dbraw/zinc/18/32/52/386183252.db2.gz YNDFDWRFISLVKY-DTWKUNHWSA-N 1 2 225.292 0.882 20 0 BCADLO CCOCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346212063 386186583 /nfs/dbraw/zinc/18/65/83/386186583.db2.gz DFSDDHMEJFOVDA-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCO1 ZINC000130031861 386131572 /nfs/dbraw/zinc/13/15/72/386131572.db2.gz QRAIMMMULKXBAP-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO CNC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000032489130 386134341 /nfs/dbraw/zinc/13/43/41/386134341.db2.gz WGDNJSBGMXXADY-SECBINFHSA-N 1 2 207.277 0.611 20 0 BCADLO CNC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000032489130 386134346 /nfs/dbraw/zinc/13/43/46/386134346.db2.gz WGDNJSBGMXXADY-SECBINFHSA-N 1 2 207.277 0.611 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C(N)=O ZINC000287552649 386135626 /nfs/dbraw/zinc/13/56/26/386135626.db2.gz OYTSQNGMJLZNHF-MRVPVSSYSA-N 1 2 236.275 0.694 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1nccnc1OC ZINC000296140522 386141874 /nfs/dbraw/zinc/14/18/74/386141874.db2.gz VERFBVQGLNVTOF-SECBINFHSA-N 1 2 223.276 0.706 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1nccnc1OC ZINC000296140522 386141879 /nfs/dbraw/zinc/14/18/79/386141879.db2.gz VERFBVQGLNVTOF-SECBINFHSA-N 1 2 223.276 0.706 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425472912 386143770 /nfs/dbraw/zinc/14/37/70/386143770.db2.gz JHASSHBTPVKGLN-NTSWFWBYSA-N 1 2 249.217 0.511 20 0 BCADLO Cc1ncc(NC(=O)NCc2[nH+]ccn2C)cn1 ZINC000264036481 386204066 /nfs/dbraw/zinc/20/40/66/386204066.db2.gz AUGUWPUXYWPDAX-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000275457669 386212555 /nfs/dbraw/zinc/21/25/55/386212555.db2.gz USZAJCCJNRHKKI-VIFPVBQESA-N 1 2 216.306 0.830 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000275457669 386212563 /nfs/dbraw/zinc/21/25/63/386212563.db2.gz USZAJCCJNRHKKI-VIFPVBQESA-N 1 2 216.306 0.830 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cocn2)C1 ZINC000296916594 386213338 /nfs/dbraw/zinc/21/33/38/386213338.db2.gz AEMCLMKEDLLUCA-UHFFFAOYSA-N 1 2 209.249 0.497 20 0 BCADLO Cc1noc(CCNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000264663117 386259776 /nfs/dbraw/zinc/25/97/76/386259776.db2.gz IAIFLLOLOUNLDL-UHFFFAOYSA-N 1 2 235.247 0.382 20 0 BCADLO COC[C@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264198713 386214726 /nfs/dbraw/zinc/21/47/26/386214726.db2.gz PTPWOYYKLHSFHM-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](CC(N)=O)C(C)C ZINC000289091204 386259832 /nfs/dbraw/zinc/25/98/32/386259832.db2.gz LHJJTWPPJWOJSB-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1cnn(C)c1C[N@H+](CC(N)=O)C(C)C ZINC000289091204 386259835 /nfs/dbraw/zinc/25/98/35/386259835.db2.gz LHJJTWPPJWOJSB-UHFFFAOYSA-N 1 2 224.308 0.424 20 0 BCADLO Cc1nc(N2CC[C@@H](CO)C2)nc(N(C)C)[nH+]1 ZINC000408359358 386218334 /nfs/dbraw/zinc/21/83/34/386218334.db2.gz UGUPCQVXYYHYRI-SECBINFHSA-N 1 2 237.307 0.065 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC[C@@H](CO)C2)[nH+]1 ZINC000408359358 386218339 /nfs/dbraw/zinc/21/83/39/386218339.db2.gz UGUPCQVXYYHYRI-SECBINFHSA-N 1 2 237.307 0.065 20 0 BCADLO Cc1nc(N(C)CC2(CO)CC2)cc[nH+]1 ZINC000275535177 386220292 /nfs/dbraw/zinc/22/02/92/386220292.db2.gz YVUFJTCTIVQTMF-UHFFFAOYSA-N 1 2 207.277 0.994 20 0 BCADLO CO[C@@H]1C[NH+]([C@H](C)c2nnc(C)o2)C[C@H]1OC ZINC000408360786 386222666 /nfs/dbraw/zinc/22/26/66/386222666.db2.gz ZBSZQCBJNKJNQK-SZEHBUNVSA-N 1 2 241.291 0.785 20 0 BCADLO CCc1n[nH]cc1C(=O)NCc1[nH+]ccn1C ZINC000264264926 386223667 /nfs/dbraw/zinc/22/36/67/386223667.db2.gz DYIYUUGSRKBVLW-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cocn1 ZINC000264275964 386223750 /nfs/dbraw/zinc/22/37/50/386223750.db2.gz SZJBLLJGFSYMMV-QMMMGPOBSA-N 1 2 220.232 0.690 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCC(=O)N(C)C)no1 ZINC000264279805 386224066 /nfs/dbraw/zinc/22/40/66/386224066.db2.gz GELXVAIQDVCFMM-UHFFFAOYSA-N 1 2 240.307 0.681 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068302 386227692 /nfs/dbraw/zinc/22/76/92/386227692.db2.gz KCCLTTIQROHLBV-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068302 386227695 /nfs/dbraw/zinc/22/76/95/386227695.db2.gz KCCLTTIQROHLBV-PSASIEDQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068308 386227758 /nfs/dbraw/zinc/22/77/58/386227758.db2.gz KCCLTTIQROHLBV-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068308 386227759 /nfs/dbraw/zinc/22/77/59/386227759.db2.gz KCCLTTIQROHLBV-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO Cc1cc(CN(C)CC[NH+]2CCOCC2)no1 ZINC000264675619 386261400 /nfs/dbraw/zinc/26/14/00/386261400.db2.gz AMMJJQLPJVLFNU-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1cc(C[N@H+](C)CCN2CCOCC2)no1 ZINC000264675619 386261403 /nfs/dbraw/zinc/26/14/03/386261403.db2.gz AMMJJQLPJVLFNU-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO Cc1cc(C[N@@H+](C)CCN2CCOCC2)no1 ZINC000264675619 386261407 /nfs/dbraw/zinc/26/14/07/386261407.db2.gz AMMJJQLPJVLFNU-UHFFFAOYSA-N 1 2 239.319 0.747 20 0 BCADLO CN(C)c1[nH]c2ccc(NC(=O)CO)cc2[nH+]1 ZINC000416224110 386237164 /nfs/dbraw/zinc/23/71/64/386237164.db2.gz QBNTUVSZHWNNJA-UHFFFAOYSA-N 1 2 234.259 0.560 20 0 BCADLO O=C1CNC(=O)N1CCCNc1cccc[nH+]1 ZINC000264447273 386237555 /nfs/dbraw/zinc/23/75/55/386237555.db2.gz HDPIKRPJCSBXSE-UHFFFAOYSA-N 1 2 234.259 0.435 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N(C)CC ZINC000339084316 386239626 /nfs/dbraw/zinc/23/96/26/386239626.db2.gz ZMZUYVGYOPRCPP-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(C)CC ZINC000339084316 386239630 /nfs/dbraw/zinc/23/96/30/386239630.db2.gz ZMZUYVGYOPRCPP-UHFFFAOYSA-N 1 2 229.324 0.052 20 0 BCADLO COc1cc[nH+]c(CN(C)CC(N)=O)c1 ZINC000264458254 386240310 /nfs/dbraw/zinc/24/03/10/386240310.db2.gz UHHFCCPEYDPZJX-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO CC(C)CNC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647932618 386244778 /nfs/dbraw/zinc/24/47/78/386244778.db2.gz JQMMOEYKXUVWJK-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO Cc1cc(C)n(CC[N@@H+]2CCNC(=O)[C@H]2C)n1 ZINC000264553432 386245771 /nfs/dbraw/zinc/24/57/71/386245771.db2.gz KDAHHJHKXMVDEX-LLVKDONJSA-N 1 2 236.319 0.320 20 0 BCADLO Cc1cc(C)n(CC[N@H+]2CCNC(=O)[C@H]2C)n1 ZINC000264553432 386245775 /nfs/dbraw/zinc/24/57/75/386245775.db2.gz KDAHHJHKXMVDEX-LLVKDONJSA-N 1 2 236.319 0.320 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000336647330 386257182 /nfs/dbraw/zinc/25/71/82/386257182.db2.gz MCCDYOHYRIILFU-JTQLQIEISA-N 1 2 207.277 0.742 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000336647330 386257187 /nfs/dbraw/zinc/25/71/87/386257187.db2.gz MCCDYOHYRIILFU-JTQLQIEISA-N 1 2 207.277 0.742 20 0 BCADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C)n1C ZINC000336647691 386257365 /nfs/dbraw/zinc/25/73/65/386257365.db2.gz NAZQGHLBQDDGQE-QMMMGPOBSA-N 1 2 212.297 0.590 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C)n1C ZINC000336647691 386257370 /nfs/dbraw/zinc/25/73/70/386257370.db2.gz NAZQGHLBQDDGQE-QMMMGPOBSA-N 1 2 212.297 0.590 20 0 BCADLO CO[C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000263922730 386193102 /nfs/dbraw/zinc/19/31/02/386193102.db2.gz UZOCCZHRYYNHQH-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cnsn2)C1 ZINC000275232201 386194298 /nfs/dbraw/zinc/19/42/98/386194298.db2.gz MSNMPZBCSWGJKK-UHFFFAOYSA-N 1 2 226.305 0.361 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)C[C@@H](C)C1=O ZINC000288406004 386196041 /nfs/dbraw/zinc/19/60/41/386196041.db2.gz BTAMWJXPWLRAMS-MRVPVSSYSA-N 1 2 234.255 0.985 20 0 BCADLO C=Cn1cc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338998812 386198399 /nfs/dbraw/zinc/19/83/99/386198399.db2.gz FHFJPOXIEDCXIA-NSHDSACASA-N 1 2 225.267 0.890 20 0 BCADLO C=Cn1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338998812 386198403 /nfs/dbraw/zinc/19/84/03/386198403.db2.gz FHFJPOXIEDCXIA-NSHDSACASA-N 1 2 225.267 0.890 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCCC1)[C@@H](C)O ZINC000191017402 386198481 /nfs/dbraw/zinc/19/84/81/386198481.db2.gz RZYFILYODBHBQE-VXNVDRBHSA-N 1 2 201.266 0.441 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CCCCC1)[C@@H](C)O ZINC000191024033 386199670 /nfs/dbraw/zinc/19/96/70/386199670.db2.gz PNNHKXGHZBTMMC-PSASIEDQSA-N 1 2 215.293 0.831 20 0 BCADLO Cn1ncc2c1nc(NC[C@H]1CCOC1)[nH+]c2N ZINC000276166615 386280303 /nfs/dbraw/zinc/28/03/03/386280303.db2.gz KSVSUWCBOKRSRM-SSDOTTSWSA-N 1 2 248.290 0.394 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347202379 386281946 /nfs/dbraw/zinc/28/19/46/386281946.db2.gz FAERAPQYZSEYAP-ZJUUUORDSA-N 1 2 238.335 0.969 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000347202379 386281949 /nfs/dbraw/zinc/28/19/49/386281949.db2.gz FAERAPQYZSEYAP-ZJUUUORDSA-N 1 2 238.335 0.969 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)Cn2cncn2)c[nH+]1 ZINC000264912429 386284292 /nfs/dbraw/zinc/28/42/92/386284292.db2.gz ZPWSDNJHHVKQJX-ZETCQYMHSA-N 1 2 234.263 0.128 20 0 BCADLO COC(=O)c1cc(C(=O)NCc2c[nH+]c[nH]2)c[nH]1 ZINC000340585535 386284758 /nfs/dbraw/zinc/28/47/58/386284758.db2.gz XEASSCNBEROAEX-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO COC(=O)c1cc(C(=O)NCc2c[nH]c[nH+]2)c[nH]1 ZINC000340585535 386284763 /nfs/dbraw/zinc/28/47/63/386284763.db2.gz XEASSCNBEROAEX-UHFFFAOYSA-N 1 2 248.242 0.454 20 0 BCADLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(N)=O)CC1CC1 ZINC000425506454 386285030 /nfs/dbraw/zinc/28/50/30/386285030.db2.gz COUORADJAYQWBR-LBPRGKRZSA-N 1 2 242.319 0.525 20 0 BCADLO CC[C@@](C)(C(=O)OC)[N@H+](CC(N)=O)CC1CC1 ZINC000425506454 386285032 /nfs/dbraw/zinc/28/50/32/386285032.db2.gz COUORADJAYQWBR-LBPRGKRZSA-N 1 2 242.319 0.525 20 0 BCADLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)nnn1C(C)C ZINC000340585598 386285285 /nfs/dbraw/zinc/28/52/85/386285285.db2.gz ZGNZKAVZVHQPFN-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)nnn1C(C)C ZINC000340585598 386285290 /nfs/dbraw/zinc/28/52/90/386285290.db2.gz ZGNZKAVZVHQPFN-UHFFFAOYSA-N 1 2 248.290 0.821 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)nc1 ZINC000336664219 386286665 /nfs/dbraw/zinc/28/66/65/386286665.db2.gz ZQNGQBXYJVWBAD-QWRGUYRKSA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)nc1 ZINC000336664219 386286669 /nfs/dbraw/zinc/28/66/69/386286669.db2.gz ZQNGQBXYJVWBAD-QWRGUYRKSA-N 1 2 221.304 0.988 20 0 BCADLO C[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198370 386289070 /nfs/dbraw/zinc/28/90/70/386289070.db2.gz ILVPAPHFEVNQMO-YUMQZZPRSA-N 1 2 226.280 0.071 20 0 BCADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1CCC1 ZINC000347288409 386289108 /nfs/dbraw/zinc/28/91/08/386289108.db2.gz OBMZWAVBDXNIRZ-UHFFFAOYSA-N 1 2 238.331 0.768 20 0 BCADLO C[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000339198370 386289074 /nfs/dbraw/zinc/28/90/74/386289074.db2.gz ILVPAPHFEVNQMO-YUMQZZPRSA-N 1 2 226.280 0.071 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000232784298 386324630 /nfs/dbraw/zinc/32/46/30/386324630.db2.gz LGJVOTSLKZTLCI-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000232784298 386324635 /nfs/dbraw/zinc/32/46/35/386324635.db2.gz LGJVOTSLKZTLCI-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](O)C1 ZINC000265020099 386296529 /nfs/dbraw/zinc/29/65/29/386296529.db2.gz IZWIPAQXLCZNLT-HTQZYQBOSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](O)C1 ZINC000265020099 386296534 /nfs/dbraw/zinc/29/65/34/386296534.db2.gz IZWIPAQXLCZNLT-HTQZYQBOSA-N 1 2 241.316 0.537 20 0 BCADLO Cn1nncc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000289406060 386298573 /nfs/dbraw/zinc/29/85/73/386298573.db2.gz UAPFLNBEEMEAOR-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1nncc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000289406060 386298578 /nfs/dbraw/zinc/29/85/78/386298578.db2.gz UAPFLNBEEMEAOR-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1cc(NC(=O)NCc2[nH]cc[nH+]2)ccc1=O ZINC000339196957 386298759 /nfs/dbraw/zinc/29/87/59/386298759.db2.gz UWTLOZZAKZCGIA-UHFFFAOYSA-N 1 2 247.258 0.430 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@@H]2CCCOC2)n1C ZINC000336660715 386299010 /nfs/dbraw/zinc/29/90/10/386299010.db2.gz BBTQHWCTICRQSH-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)n1C ZINC000336660715 386299014 /nfs/dbraw/zinc/29/90/14/386299014.db2.gz BBTQHWCTICRQSH-SNVBAGLBSA-N 1 2 224.308 0.734 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H](C)CO)[nH+]cn1 ZINC000298133071 386301528 /nfs/dbraw/zinc/30/15/28/386301528.db2.gz CIVNAXQSCKOAOR-DTWKUNHWSA-N 1 2 240.307 0.310 20 0 BCADLO C[C@@H](O)CNc1cc(NC[C@H](C)CO)nc[nH+]1 ZINC000298133071 386301532 /nfs/dbraw/zinc/30/15/32/386301532.db2.gz CIVNAXQSCKOAOR-DTWKUNHWSA-N 1 2 240.307 0.310 20 0 BCADLO C[C@@H](C(=O)NC1(C)CCC1)[NH+]1CCOCC1 ZINC000339211464 386302861 /nfs/dbraw/zinc/30/28/61/386302861.db2.gz DUAOKAYQODVMQJ-JTQLQIEISA-N 1 2 226.320 0.766 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)[nH]1 ZINC000298232682 386311270 /nfs/dbraw/zinc/31/12/70/386311270.db2.gz HSEPZKLPRBGCJG-JTQLQIEISA-N 1 2 232.291 0.757 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)[nH]1 ZINC000298232682 386311276 /nfs/dbraw/zinc/31/12/76/386311276.db2.gz HSEPZKLPRBGCJG-JTQLQIEISA-N 1 2 232.291 0.757 20 0 BCADLO C[N@H+](CCC(F)(F)F)[C@@H]1CCNC1=O ZINC000336669503 386312763 /nfs/dbraw/zinc/31/27/63/386312763.db2.gz FCQCZPZJNWVDKQ-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCNC1=O ZINC000336669503 386312768 /nfs/dbraw/zinc/31/27/68/386312768.db2.gz FCQCZPZJNWVDKQ-ZCFIWIBFSA-N 1 2 210.199 0.759 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnn(C)c1C ZINC000276391563 386314752 /nfs/dbraw/zinc/31/47/52/386314752.db2.gz IIPFVWGMPGSPNW-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnn(C)c1C ZINC000276391563 386314757 /nfs/dbraw/zinc/31/47/57/386314757.db2.gz IIPFVWGMPGSPNW-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO Cn1cc(C[N@H+](C)CC(=O)N2CCC2)cn1 ZINC000298298425 386319455 /nfs/dbraw/zinc/31/94/55/386319455.db2.gz VKRVXYUFYWIWEV-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1cc(C[N@@H+](C)CC(=O)N2CCC2)cn1 ZINC000298298425 386319462 /nfs/dbraw/zinc/31/94/62/386319462.db2.gz VKRVXYUFYWIWEV-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187090123 386321447 /nfs/dbraw/zinc/32/14/47/386321447.db2.gz MRSNIELYMAYBRC-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO CC[C@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187090123 386321452 /nfs/dbraw/zinc/32/14/52/386321452.db2.gz MRSNIELYMAYBRC-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO CSC[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000336675125 386322047 /nfs/dbraw/zinc/32/20/47/386322047.db2.gz PGSLTBMPKHWDIG-SECBINFHSA-N 1 2 241.364 0.785 20 0 BCADLO CSC[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000336675125 386322052 /nfs/dbraw/zinc/32/20/52/386322052.db2.gz PGSLTBMPKHWDIG-SECBINFHSA-N 1 2 241.364 0.785 20 0 BCADLO CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347286568 386323165 /nfs/dbraw/zinc/32/31/65/386323165.db2.gz KCGKMWCLSNRWGF-UHFFFAOYSA-N 1 2 212.293 0.377 20 0 BCADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nncn1C ZINC000347184653 386271821 /nfs/dbraw/zinc/27/18/21/386271821.db2.gz XMYYJIVENZSYDP-IUCAKERBSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347184653 386271825 /nfs/dbraw/zinc/27/18/25/386271825.db2.gz XMYYJIVENZSYDP-IUCAKERBSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nncn1C ZINC000347184651 386271992 /nfs/dbraw/zinc/27/19/92/386271992.db2.gz XMYYJIVENZSYDP-BDAKNGLRSA-N 1 2 212.297 0.843 20 0 BCADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347184651 386271996 /nfs/dbraw/zinc/27/19/96/386271996.db2.gz XMYYJIVENZSYDP-BDAKNGLRSA-N 1 2 212.297 0.843 20 0 BCADLO Cc1[nH]c(C(=O)NCc2nnc3n2CCC3)c[nH+]1 ZINC000264846712 386274554 /nfs/dbraw/zinc/27/45/54/386274554.db2.gz MCEYUPMTRDJMEU-UHFFFAOYSA-N 1 2 246.274 0.186 20 0 BCADLO CC(C)COCC[N@H+](C)Cc1nncn1C ZINC000336657591 386274567 /nfs/dbraw/zinc/27/45/67/386274567.db2.gz MEXOXHRYZCMCLJ-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO CC(C)COCC[N@@H+](C)Cc1nncn1C ZINC000336657591 386274571 /nfs/dbraw/zinc/27/45/71/386274571.db2.gz MEXOXHRYZCMCLJ-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO CN(CCN1CCCC1=O)Cc1[nH+]ccn1C ZINC000264843835 386276485 /nfs/dbraw/zinc/27/64/85/386276485.db2.gz XAZCHNDKEMKGNZ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1ccnc1C[N@H+](C)CCN1CCCC1=O ZINC000264843835 386276489 /nfs/dbraw/zinc/27/64/89/386276489.db2.gz XAZCHNDKEMKGNZ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CCN1CCCC1=O ZINC000264843835 386276492 /nfs/dbraw/zinc/27/64/92/386276492.db2.gz XAZCHNDKEMKGNZ-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccsc1 ZINC000238117781 259685844 /nfs/dbraw/zinc/68/58/44/259685844.db2.gz RCBKSGCLNGYQHP-UHFFFAOYSA-N 1 2 239.300 0.118 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C(F)(F)F ZINC000276549551 386344010 /nfs/dbraw/zinc/34/40/10/386344010.db2.gz HISBIYXYVGRMRQ-QOHHWTFISA-N 1 2 249.192 0.462 20 0 BCADLO c1cn2c(n1)C[N@H+](CCN1CCOCC1)CC2 ZINC000336686352 386345142 /nfs/dbraw/zinc/34/51/42/386345142.db2.gz GBNSMYAGYUIQQJ-UHFFFAOYSA-N 1 2 236.319 0.031 20 0 BCADLO c1cn2c(n1)C[N@@H+](CCN1CCOCC1)CC2 ZINC000336686352 386345145 /nfs/dbraw/zinc/34/51/45/386345145.db2.gz GBNSMYAGYUIQQJ-UHFFFAOYSA-N 1 2 236.319 0.031 20 0 BCADLO CCO[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298456292 386347666 /nfs/dbraw/zinc/34/76/66/386347666.db2.gz NNWKQIFTHPARJD-VIFPVBQESA-N 1 2 225.292 0.804 20 0 BCADLO CC[N@H+](CCCO)Cc1nc(CCOC)no1 ZINC000336686964 386347664 /nfs/dbraw/zinc/34/76/64/386347664.db2.gz GHVKTNLTXBCNAP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc(CCOC)no1 ZINC000336686964 386347669 /nfs/dbraw/zinc/34/76/69/386347669.db2.gz GHVKTNLTXBCNAP-UHFFFAOYSA-N 1 2 243.307 0.463 20 0 BCADLO Cc1nonc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265594030 386349211 /nfs/dbraw/zinc/34/92/11/386349211.db2.gz KVERUJDHLUXZSK-SSDOTTSWSA-N 1 2 235.247 0.393 20 0 BCADLO COC[C@H]1CC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000339281590 386350256 /nfs/dbraw/zinc/35/02/56/386350256.db2.gz HGBYEBIFYJTMOU-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO COC[C@H]1CC[N@H+]1Cc1cc(C)n(C)n1 ZINC000339281590 386350261 /nfs/dbraw/zinc/35/02/61/386350261.db2.gz HGBYEBIFYJTMOU-LLVKDONJSA-N 1 2 209.293 0.949 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCSCC1 ZINC000276619079 386354136 /nfs/dbraw/zinc/35/41/36/386354136.db2.gz QPCFONWWJHSFRM-OWOJBTEDSA-N 1 2 223.301 0.998 20 0 BCADLO CO[C@@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298516633 386354241 /nfs/dbraw/zinc/35/42/41/386354241.db2.gz BOBMXMJUCHPEMB-IUCAKERBSA-N 1 2 240.307 0.716 20 0 BCADLO CO[C@@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298516633 386354244 /nfs/dbraw/zinc/35/42/44/386354244.db2.gz BOBMXMJUCHPEMB-IUCAKERBSA-N 1 2 240.307 0.716 20 0 BCADLO COC(=O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276637516 386356641 /nfs/dbraw/zinc/35/66/41/386356641.db2.gz UKVYFKRMMDPFQQ-SNAWJCMRSA-N 1 2 237.259 0.491 20 0 BCADLO CC[C@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000265665292 386357153 /nfs/dbraw/zinc/35/71/53/386357153.db2.gz CCKGNBFWBKDNOZ-MRVPVSSYSA-N 1 2 211.265 0.873 20 0 BCADLO CCOCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347324808 386362528 /nfs/dbraw/zinc/36/25/28/386362528.db2.gz RIFAMMKYLBUGGM-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO CCOCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347324808 386362533 /nfs/dbraw/zinc/36/25/33/386362533.db2.gz RIFAMMKYLBUGGM-RULNRJAQSA-N 1 2 219.350 0.864 20 0 BCADLO O=C(COCC1CC1)NCCCn1cc[nH+]c1 ZINC000298619662 386362731 /nfs/dbraw/zinc/36/27/31/386362731.db2.gz WXCMXCBGMUNWNM-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](CNC(=O)C1CCC1)[NH+]1CCN(C)CC1 ZINC000339326336 386368793 /nfs/dbraw/zinc/36/87/93/386368793.db2.gz FUODVKQDJQFCMB-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO CCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000339325753 386370602 /nfs/dbraw/zinc/37/06/02/386370602.db2.gz QKNKXKWRUDOHDE-LBPRGKRZSA-N 1 2 241.379 0.929 20 0 BCADLO CO[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265787225 386370541 /nfs/dbraw/zinc/37/05/41/386370541.db2.gz SSBBFXBJSMUPEF-ZJUUUORDSA-N 1 2 225.292 0.670 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)CCOCC(F)F ZINC000276775908 386375177 /nfs/dbraw/zinc/37/51/77/386375177.db2.gz CLAVRDBXMJABSX-UHFFFAOYSA-N 1 2 247.245 0.708 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347383159 386377668 /nfs/dbraw/zinc/37/76/68/386377668.db2.gz OCJFYXQBJZRDSA-NSHDSACASA-N 1 2 232.299 0.573 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347383159 386377672 /nfs/dbraw/zinc/37/76/72/386377672.db2.gz OCJFYXQBJZRDSA-NSHDSACASA-N 1 2 232.299 0.573 20 0 BCADLO CCC(=O)N1CC[N@H+](CCn2cc(C)cn2)C1 ZINC000425521922 386326248 /nfs/dbraw/zinc/32/62/48/386326248.db2.gz UUIWXADSHGNKJS-UHFFFAOYSA-N 1 2 236.319 0.703 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCn2cc(C)cn2)C1 ZINC000425521922 386326254 /nfs/dbraw/zinc/32/62/54/386326254.db2.gz UUIWXADSHGNKJS-UHFFFAOYSA-N 1 2 236.319 0.703 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000232784606 386326385 /nfs/dbraw/zinc/32/63/85/386326385.db2.gz LGJVOTSLKZTLCI-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000232784606 386326392 /nfs/dbraw/zinc/32/63/92/386326392.db2.gz LGJVOTSLKZTLCI-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](CCOC)Cc1nc(CCOC)no1 ZINC000336676872 386328615 /nfs/dbraw/zinc/32/86/15/386328615.db2.gz AROKGKPDHHEMIL-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CC[N@@H+](CCOC)Cc1nc(CCOC)no1 ZINC000336676872 386328620 /nfs/dbraw/zinc/32/86/20/386328620.db2.gz AROKGKPDHHEMIL-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO OC[C@]1(F)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000347332345 386329740 /nfs/dbraw/zinc/32/97/40/386329740.db2.gz HJLDHHFJZZUWIX-YUMQZZPRSA-N 1 2 245.216 0.706 20 0 BCADLO OC[C@]1(F)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000347332345 386329744 /nfs/dbraw/zinc/32/97/44/386329744.db2.gz HJLDHHFJZZUWIX-YUMQZZPRSA-N 1 2 245.216 0.706 20 0 BCADLO O=C1NC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]12 ZINC000334490179 386335364 /nfs/dbraw/zinc/33/53/64/386335364.db2.gz FNDCOANJQVIKLW-VIFPVBQESA-N 1 2 235.243 0.016 20 0 BCADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]12 ZINC000334490179 386335368 /nfs/dbraw/zinc/33/53/68/386335368.db2.gz FNDCOANJQVIKLW-VIFPVBQESA-N 1 2 235.243 0.016 20 0 BCADLO CC[C@@H](C)[N@H+](CCO)Cc1ncnn1CCF ZINC000347484443 386438315 /nfs/dbraw/zinc/43/83/15/386438315.db2.gz WAOXSVJUAULGDG-SNVBAGLBSA-N 1 2 244.314 0.840 20 0 BCADLO CC[C@@H](C)[N@@H+](CCO)Cc1ncnn1CCF ZINC000347484443 386438318 /nfs/dbraw/zinc/43/83/18/386438318.db2.gz WAOXSVJUAULGDG-SNVBAGLBSA-N 1 2 244.314 0.840 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](CC(N)=O)CC(C)C ZINC000290456273 386438711 /nfs/dbraw/zinc/43/87/11/386438711.db2.gz PCFJQLMBOXKCAB-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cc1cn[nH]c1C[N@H+](CC(N)=O)CC(C)C ZINC000290456273 386438716 /nfs/dbraw/zinc/43/87/16/386438716.db2.gz PCFJQLMBOXKCAB-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](CC(N)=O)CC(C)C ZINC000290456273 386438721 /nfs/dbraw/zinc/43/87/21/386438721.db2.gz PCFJQLMBOXKCAB-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cc1c[nH]nc1C[N@H+](CC(N)=O)CC(C)C ZINC000290456273 386438726 /nfs/dbraw/zinc/43/87/26/386438726.db2.gz PCFJQLMBOXKCAB-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000290468554 386438900 /nfs/dbraw/zinc/43/89/00/386438900.db2.gz PZRLWHHPKBGMSK-LBPRGKRZSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000290468554 386438903 /nfs/dbraw/zinc/43/89/03/386438903.db2.gz PZRLWHHPKBGMSK-LBPRGKRZSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000290468554 386438908 /nfs/dbraw/zinc/43/89/08/386438908.db2.gz PZRLWHHPKBGMSK-LBPRGKRZSA-N 1 2 248.330 0.961 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000290468554 386438912 /nfs/dbraw/zinc/43/89/12/386438912.db2.gz PZRLWHHPKBGMSK-LBPRGKRZSA-N 1 2 248.330 0.961 20 0 BCADLO Cn1nnnc1C[N@H+](C)CC[C@H]1CCOC1 ZINC000527365679 386444585 /nfs/dbraw/zinc/44/45/85/386444585.db2.gz XBCDSNMZGZEHKL-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CC[C@H]1CCOC1 ZINC000527365679 386444591 /nfs/dbraw/zinc/44/45/91/386444591.db2.gz XBCDSNMZGZEHKL-VIFPVBQESA-N 1 2 225.296 0.069 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347551284 386450175 /nfs/dbraw/zinc/45/01/75/386450175.db2.gz HCZUDYDGCNTWIK-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347551284 386450181 /nfs/dbraw/zinc/45/01/81/386450181.db2.gz HCZUDYDGCNTWIK-SCZZXKLOSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347551288 386450570 /nfs/dbraw/zinc/45/05/70/386450570.db2.gz HCZUDYDGCNTWIK-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000347551288 386450576 /nfs/dbraw/zinc/45/05/76/386450576.db2.gz HCZUDYDGCNTWIK-WPRPVWTQSA-N 1 2 236.319 0.885 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276894255 386388635 /nfs/dbraw/zinc/38/86/35/386388635.db2.gz GQVVQZRRPSZVDJ-SNVBAGLBSA-N 1 2 234.255 0.461 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276894255 386388636 /nfs/dbraw/zinc/38/86/36/386388636.db2.gz GQVVQZRRPSZVDJ-SNVBAGLBSA-N 1 2 234.255 0.461 20 0 BCADLO c1cn2c([nH+]1)CN(Cc1csnn1)CC2 ZINC000336719780 386451237 /nfs/dbraw/zinc/45/12/37/386451237.db2.gz ZDVNXNKNJBUSGM-UHFFFAOYSA-N 1 2 221.289 0.750 20 0 BCADLO C[C@H](O)CNc1cc(NCCF)[nH+]cn1 ZINC000298880386 386394248 /nfs/dbraw/zinc/39/42/48/386394248.db2.gz KVUSRHOVRYMDLF-ZETCQYMHSA-N 1 2 214.244 0.651 20 0 BCADLO C[C@H](O)CNc1cc(NCCF)nc[nH+]1 ZINC000298880386 386394251 /nfs/dbraw/zinc/39/42/51/386394251.db2.gz KVUSRHOVRYMDLF-ZETCQYMHSA-N 1 2 214.244 0.651 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000290118349 386396138 /nfs/dbraw/zinc/39/61/38/386396138.db2.gz KLUAHZGZAGPSKN-YUMQZZPRSA-N 1 2 247.245 0.782 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000093082897 386400178 /nfs/dbraw/zinc/40/01/78/386400178.db2.gz DIOJXJNXWQEXOP-NSHDSACASA-N 1 2 239.271 0.962 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000093082897 386400183 /nfs/dbraw/zinc/40/01/83/386400183.db2.gz DIOJXJNXWQEXOP-NSHDSACASA-N 1 2 239.271 0.962 20 0 BCADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000347432288 386402039 /nfs/dbraw/zinc/40/20/39/386402039.db2.gz FRBSKKGFVVSFLK-YGRLFVJLSA-N 1 2 219.350 0.864 20 0 BCADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000347432288 386402041 /nfs/dbraw/zinc/40/20/41/386402041.db2.gz FRBSKKGFVVSFLK-YGRLFVJLSA-N 1 2 219.350 0.864 20 0 BCADLO Cc1nc(N2CCC[C@H]2C(=O)N(C)C)cc[nH+]1 ZINC000266143474 386402934 /nfs/dbraw/zinc/40/29/34/386402934.db2.gz RGKXAVNAFICSSN-JTQLQIEISA-N 1 2 234.303 0.842 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000336708668 386417804 /nfs/dbraw/zinc/41/78/04/386417804.db2.gz YJZHOOVKXXTTTL-BDAKNGLRSA-N 1 2 241.291 0.998 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000336708668 386417808 /nfs/dbraw/zinc/41/78/08/386417808.db2.gz YJZHOOVKXXTTTL-BDAKNGLRSA-N 1 2 241.291 0.998 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000290340054 386422379 /nfs/dbraw/zinc/42/23/79/386422379.db2.gz DLOLBVSRJROYAQ-SNVBAGLBSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000290340054 386422387 /nfs/dbraw/zinc/42/23/87/386422387.db2.gz DLOLBVSRJROYAQ-SNVBAGLBSA-N 1 2 222.292 0.381 20 0 BCADLO CC(C)(C)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647933933 386426095 /nfs/dbraw/zinc/42/60/95/386426095.db2.gz PCFJPSHDLPWADH-UHFFFAOYSA-N 1 2 236.319 0.683 20 0 BCADLO CCOc1nnc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000336710425 386426924 /nfs/dbraw/zinc/42/69/24/386426924.db2.gz YZCGILLVHSKUHO-QMMMGPOBSA-N 1 2 243.332 0.894 20 0 BCADLO CCOc1nnc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000336710425 386426929 /nfs/dbraw/zinc/42/69/29/386426929.db2.gz YZCGILLVHSKUHO-QMMMGPOBSA-N 1 2 243.332 0.894 20 0 BCADLO Cn1ncnc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134385677 386428084 /nfs/dbraw/zinc/42/80/84/386428084.db2.gz UPONKWPVSRYWDU-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO Cn1ncnc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134385677 386428091 /nfs/dbraw/zinc/42/80/91/386428091.db2.gz UPONKWPVSRYWDU-SECBINFHSA-N 1 2 226.324 0.654 20 0 BCADLO c1cnc(NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000277456067 386436383 /nfs/dbraw/zinc/43/63/83/386436383.db2.gz OMEBEBUTJCWMMH-UHFFFAOYSA-N 1 2 234.303 0.753 20 0 BCADLO C[C@H](CO)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000299562640 386467403 /nfs/dbraw/zinc/46/74/03/386467403.db2.gz FQSPSCRCVFQOGO-VIFPVBQESA-N 1 2 236.319 0.505 20 0 BCADLO C[C@H](CO)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000299562640 386467408 /nfs/dbraw/zinc/46/74/08/386467408.db2.gz FQSPSCRCVFQOGO-VIFPVBQESA-N 1 2 236.319 0.505 20 0 BCADLO CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299558955 386468894 /nfs/dbraw/zinc/46/88/94/386468894.db2.gz FLNSGBMXXUANLM-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(C)n1 ZINC000299569634 386468932 /nfs/dbraw/zinc/46/89/32/386468932.db2.gz AOKROOMVYWKHSH-SECBINFHSA-N 1 2 248.290 0.827 20 0 BCADLO CC[N@@H+]1CCO[C@H](c2nc(N(C)C)no2)C1 ZINC000417283316 386472710 /nfs/dbraw/zinc/47/27/10/386472710.db2.gz XJKDLTAUBAPDIH-QMMMGPOBSA-N 1 2 226.280 0.529 20 0 BCADLO CC[N@H+]1CCO[C@H](c2nc(N(C)C)no2)C1 ZINC000417283316 386472715 /nfs/dbraw/zinc/47/27/15/386472715.db2.gz XJKDLTAUBAPDIH-QMMMGPOBSA-N 1 2 226.280 0.529 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@@H]1CCN(C2CC2)C1=O ZINC000336736914 386473893 /nfs/dbraw/zinc/47/38/93/386473893.db2.gz YWZSOFSLACBDJX-LLVKDONJSA-N 1 2 248.330 0.615 20 0 BCADLO CC(=O)NCCNc1ncnc2c1C[N@H+](C)CC2 ZINC000299642291 386474580 /nfs/dbraw/zinc/47/45/80/386474580.db2.gz WECQFEWFVQPGPZ-UHFFFAOYSA-N 1 2 249.318 0.013 20 0 BCADLO CC(=O)NCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000299642291 386474582 /nfs/dbraw/zinc/47/45/82/386474582.db2.gz WECQFEWFVQPGPZ-UHFFFAOYSA-N 1 2 249.318 0.013 20 0 BCADLO COc1ncncc1C[NH+]1CC(C)(CO)C1 ZINC000648042440 386478502 /nfs/dbraw/zinc/47/85/02/386478502.db2.gz ALZVAABWYFSUDP-UHFFFAOYSA-N 1 2 223.276 0.299 20 0 BCADLO O=C(c1cnsn1)N1CCn2c[nH+]cc2C1 ZINC000290881288 386482980 /nfs/dbraw/zinc/48/29/80/386482980.db2.gz DRXREYGRCXDFAW-UHFFFAOYSA-N 1 2 235.272 0.391 20 0 BCADLO C[C@](O)(CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290885180 386483412 /nfs/dbraw/zinc/48/34/12/386483412.db2.gz CBZUEMAUJKFVOT-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO CCc1noc([C@H](C)[N@H+](C)CCNC(C)=O)n1 ZINC000519551730 386487306 /nfs/dbraw/zinc/48/73/06/386487306.db2.gz YCGLHZLIMUYRLT-QMMMGPOBSA-N 1 2 240.307 0.761 20 0 BCADLO CCc1noc([C@H](C)[N@@H+](C)CCNC(C)=O)n1 ZINC000519551730 386487313 /nfs/dbraw/zinc/48/73/13/386487313.db2.gz YCGLHZLIMUYRLT-QMMMGPOBSA-N 1 2 240.307 0.761 20 0 BCADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)COC1 ZINC000290932784 386488642 /nfs/dbraw/zinc/48/86/42/386488642.db2.gz MUJSMAPEFSCVIC-UHFFFAOYSA-N 1 2 221.260 0.262 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]c[nH+]c2C)[nH]1 ZINC000267085188 386491813 /nfs/dbraw/zinc/49/18/13/386491813.db2.gz CSCPWUOCNRQESM-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCn1cccc1 ZINC000267081917 386492150 /nfs/dbraw/zinc/49/21/50/386492150.db2.gz CHPDWGCOVLQWGM-UHFFFAOYSA-N 1 2 232.287 0.891 20 0 BCADLO O=C(c1ccon1)N1CCn2c[nH+]cc2C1 ZINC000290948237 386492769 /nfs/dbraw/zinc/49/27/69/386492769.db2.gz POGFCMGRRAPDTI-UHFFFAOYSA-N 1 2 218.216 0.527 20 0 BCADLO COC(=O)[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492899360 533172760 /nfs/dbraw/zinc/17/27/60/533172760.db2.gz MAIFOCKGELIEAE-TUUFMJSCSA-N 1 2 237.259 0.348 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@]2(O)CCSC2)c[nH+]1 ZINC000267137301 386499557 /nfs/dbraw/zinc/49/95/57/386499557.db2.gz SWCGBOYGSXGXTJ-JTQLQIEISA-N 1 2 241.316 0.316 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCSC2)c[nH+]1 ZINC000267137302 386500022 /nfs/dbraw/zinc/50/00/22/386500022.db2.gz SWCGBOYGSXGXTJ-SNVBAGLBSA-N 1 2 241.316 0.316 20 0 BCADLO CCCn1ncnc1C[N@H+](CC)[C@@H](C)CO ZINC000339629172 386500130 /nfs/dbraw/zinc/50/01/30/386500130.db2.gz XBDKURFOKUCHOR-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](CC)[C@@H](C)CO ZINC000339629172 386500135 /nfs/dbraw/zinc/50/01/35/386500135.db2.gz XBDKURFOKUCHOR-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO Cc1ccnc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000339645717 386503175 /nfs/dbraw/zinc/50/31/75/386503175.db2.gz JVAFMOSZIKTABU-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000339645717 386503184 /nfs/dbraw/zinc/50/31/84/386503184.db2.gz JVAFMOSZIKTABU-NSHDSACASA-N 1 2 248.330 0.838 20 0 BCADLO CON(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366451538 386506644 /nfs/dbraw/zinc/50/66/44/386506644.db2.gz LDTPFQHGUJVGIR-JTQLQIEISA-N 1 2 243.307 0.052 20 0 BCADLO CON(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366451538 386506651 /nfs/dbraw/zinc/50/66/51/386506651.db2.gz LDTPFQHGUJVGIR-JTQLQIEISA-N 1 2 243.307 0.052 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366460308 386509969 /nfs/dbraw/zinc/50/99/69/386509969.db2.gz JAUZFVITJFISLS-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366460308 386509974 /nfs/dbraw/zinc/50/99/74/386509974.db2.gz JAUZFVITJFISLS-GHMZBOCLSA-N 1 2 247.360 0.674 20 0 BCADLO CCC[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267214259 386511344 /nfs/dbraw/zinc/51/13/44/386511344.db2.gz SPVIEYZUVTUBFI-NSHDSACASA-N 1 2 225.292 0.999 20 0 BCADLO C=Cn1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000278321181 386512377 /nfs/dbraw/zinc/51/23/77/386512377.db2.gz XYKCKKICNCKABD-NSHDSACASA-N 1 2 234.303 0.646 20 0 BCADLO C=Cn1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000278321181 386512382 /nfs/dbraw/zinc/51/23/82/386512382.db2.gz XYKCKKICNCKABD-NSHDSACASA-N 1 2 234.303 0.646 20 0 BCADLO CC(C)[N@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000135408486 386512924 /nfs/dbraw/zinc/51/29/24/386512924.db2.gz FMFBEAFPZCIDRZ-UHFFFAOYSA-N 1 2 237.250 0.547 20 0 BCADLO CC(C)[N@@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000135408486 386512926 /nfs/dbraw/zinc/51/29/26/386512926.db2.gz FMFBEAFPZCIDRZ-UHFFFAOYSA-N 1 2 237.250 0.547 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000163343793 386516009 /nfs/dbraw/zinc/51/60/09/386516009.db2.gz ODLWMTPWJZVHJD-VHSXEESVSA-N 1 2 209.293 0.967 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc(F)c1N ZINC000637892512 386519883 /nfs/dbraw/zinc/51/98/83/386519883.db2.gz BQFKJTGXXKXMDY-UHFFFAOYSA-N 1 2 211.240 0.325 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc(F)c1N ZINC000637892512 386519885 /nfs/dbraw/zinc/51/98/85/386519885.db2.gz BQFKJTGXXKXMDY-UHFFFAOYSA-N 1 2 211.240 0.325 20 0 BCADLO CN(C(=O)[C@@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000335450509 386522571 /nfs/dbraw/zinc/52/25/71/386522571.db2.gz RLAKKRKRWSJUBK-VIFPVBQESA-N 1 2 214.309 0.574 20 0 BCADLO CN(C(=O)[C@@H]1COCC[N@H+]1C)C(C)(C)C ZINC000335450509 386522576 /nfs/dbraw/zinc/52/25/76/386522576.db2.gz RLAKKRKRWSJUBK-VIFPVBQESA-N 1 2 214.309 0.574 20 0 BCADLO CN(C)c1cccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000519458381 386457332 /nfs/dbraw/zinc/45/73/32/386457332.db2.gz DFOITGGEYKEXJS-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCNC(=O)C1 ZINC000299545153 386464114 /nfs/dbraw/zinc/46/41/14/386464114.db2.gz AVXIDSNVXMGWRL-UHFFFAOYSA-N 1 2 222.292 0.396 20 0 BCADLO CC(C)[C@H](NC(=O)c1ncn(C)n1)c1[nH]cc[nH+]1 ZINC000290669471 386464741 /nfs/dbraw/zinc/46/47/41/386464741.db2.gz GTXYSFBTGOHPHA-QMMMGPOBSA-N 1 2 248.290 0.665 20 0 BCADLO Cn1nccc1CNC(=O)CCn1cc[nH+]c1 ZINC000299546631 386465101 /nfs/dbraw/zinc/46/51/01/386465101.db2.gz CFAXYJMOZDXUML-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO Cn1c(C[N@H+](C)CCO)nc2ccccc2c1=O ZINC000299547153 386465940 /nfs/dbraw/zinc/46/59/40/386465940.db2.gz BONLOYHHYAUMJN-UHFFFAOYSA-N 1 2 247.298 0.358 20 0 BCADLO Cn1c(C[N@@H+](C)CCO)nc2ccccc2c1=O ZINC000299547153 386465944 /nfs/dbraw/zinc/46/59/44/386465944.db2.gz BONLOYHHYAUMJN-UHFFFAOYSA-N 1 2 247.298 0.358 20 0 BCADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+]1CCO ZINC000187673550 386579988 /nfs/dbraw/zinc/57/99/88/386579988.db2.gz LFVADECUQGJWKA-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+]1CCO ZINC000187673550 386579998 /nfs/dbraw/zinc/57/99/98/386579998.db2.gz LFVADECUQGJWKA-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000426247108 386580301 /nfs/dbraw/zinc/58/03/01/386580301.db2.gz YOZGCTBVYVFMRN-NXEZZACHSA-N 1 2 241.335 0.051 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000426247108 386580306 /nfs/dbraw/zinc/58/03/06/386580306.db2.gz YOZGCTBVYVFMRN-NXEZZACHSA-N 1 2 241.335 0.051 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000426247109 386580784 /nfs/dbraw/zinc/58/07/84/386580784.db2.gz YOZGCTBVYVFMRN-UWVGGRQHSA-N 1 2 241.335 0.051 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000426247109 386580786 /nfs/dbraw/zinc/58/07/86/386580786.db2.gz YOZGCTBVYVFMRN-UWVGGRQHSA-N 1 2 241.335 0.051 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365651398 386583317 /nfs/dbraw/zinc/58/33/17/386583317.db2.gz DMMKVXSMXAWPOG-GHMZBOCLSA-N 1 2 234.303 0.286 20 0 BCADLO O=C1OCC[C@@H]2CCN(Cc3c[nH+]c[nH]3)[C@@H]12 ZINC000366491373 386598729 /nfs/dbraw/zinc/59/87/29/386598729.db2.gz RZSYYUNNGBQFHX-WCBMZHEXSA-N 1 2 221.260 0.547 20 0 BCADLO O=C1OCC[C@@H]2CCN(Cc3c[nH]c[nH+]3)[C@@H]12 ZINC000366491373 386598736 /nfs/dbraw/zinc/59/87/36/386598736.db2.gz RZSYYUNNGBQFHX-WCBMZHEXSA-N 1 2 221.260 0.547 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC2(CCC2)O1 ZINC000335455031 386530967 /nfs/dbraw/zinc/53/09/67/386530967.db2.gz MKKVGVTUGPVZAU-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC2(CCC2)O1 ZINC000335455031 386530972 /nfs/dbraw/zinc/53/09/72/386530972.db2.gz MKKVGVTUGPVZAU-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCF ZINC000267352563 386531611 /nfs/dbraw/zinc/53/16/11/386531611.db2.gz AQNGXGUHXMNFST-VIFPVBQESA-N 1 2 249.311 0.551 20 0 BCADLO CC(C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000278487775 386532961 /nfs/dbraw/zinc/53/29/61/386532961.db2.gz YNDYDUBMIUFSQD-ONEGZZNKSA-N 1 2 209.249 0.310 20 0 BCADLO COC(=O)CC[N@H+](Cc1ncnn1C)C(C)C ZINC000267351428 386533686 /nfs/dbraw/zinc/53/36/86/386533686.db2.gz FYXBWKNTCQQZQQ-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO COC(=O)CC[N@@H+](Cc1ncnn1C)C(C)C ZINC000267351428 386533690 /nfs/dbraw/zinc/53/36/90/386533690.db2.gz FYXBWKNTCQQZQQ-UHFFFAOYSA-N 1 2 240.307 0.589 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000408372199 386536183 /nfs/dbraw/zinc/53/61/83/386536183.db2.gz BMYGINGGPUBFND-NSHDSACASA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000408372199 386536190 /nfs/dbraw/zinc/53/61/90/386536190.db2.gz BMYGINGGPUBFND-NSHDSACASA-N 1 2 224.308 0.885 20 0 BCADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](CO)O1 ZINC000299973704 386538546 /nfs/dbraw/zinc/53/85/46/386538546.db2.gz XTCMWQLYJRMGGQ-GXSJLCMTSA-N 1 2 238.287 0.160 20 0 BCADLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000135822889 386550142 /nfs/dbraw/zinc/55/01/42/386550142.db2.gz DHFWJCNYEHSIRL-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@@H](CO)C1 ZINC000135822889 386550149 /nfs/dbraw/zinc/55/01/49/386550149.db2.gz DHFWJCNYEHSIRL-SNVBAGLBSA-N 1 2 245.319 0.411 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061941855 386556091 /nfs/dbraw/zinc/55/60/91/386556091.db2.gz GPDZJHWHFVEMCH-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000278628084 386557566 /nfs/dbraw/zinc/55/75/66/386557566.db2.gz MYZGVQRXSYLKHV-ZETCQYMHSA-N 1 2 239.275 0.328 20 0 BCADLO COC(=O)C[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000278628084 386557571 /nfs/dbraw/zinc/55/75/71/386557571.db2.gz MYZGVQRXSYLKHV-ZETCQYMHSA-N 1 2 239.275 0.328 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000291662057 386566295 /nfs/dbraw/zinc/56/62/95/386566295.db2.gz KVCFACPYIZOZRS-PHIMTYICSA-N 1 2 247.298 0.996 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cncnc2)C1 ZINC000278689495 386566399 /nfs/dbraw/zinc/56/63/99/386566399.db2.gz RENMWYIICGKBHP-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335407198 386567046 /nfs/dbraw/zinc/56/70/46/386567046.db2.gz GWYNORFJTQCGKF-NSHDSACASA-N 1 2 244.360 0.283 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335407198 386567048 /nfs/dbraw/zinc/56/70/48/386567048.db2.gz GWYNORFJTQCGKF-NSHDSACASA-N 1 2 244.360 0.283 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](O)C1 ZINC000519834200 386567356 /nfs/dbraw/zinc/56/73/56/386567356.db2.gz QKXUTVSSYOZQPN-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](O)C1 ZINC000519834200 386567359 /nfs/dbraw/zinc/56/73/59/386567359.db2.gz QKXUTVSSYOZQPN-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1C[N@H+](C/C=C/c2ccncc2)CC(=O)N1 ZINC000335407811 386569594 /nfs/dbraw/zinc/56/95/94/386569594.db2.gz VTLOTUWUWPQINC-KXMPLOMGSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CC(=O)N1 ZINC000335407811 386569596 /nfs/dbraw/zinc/56/95/96/386569596.db2.gz VTLOTUWUWPQINC-KXMPLOMGSA-N 1 2 231.299 0.915 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000408422154 386570508 /nfs/dbraw/zinc/57/05/08/386570508.db2.gz FQYUGGRRNDUVFQ-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncnn2CCF)C[C@H]1O ZINC000408422154 386570512 /nfs/dbraw/zinc/57/05/12/386570512.db2.gz FQYUGGRRNDUVFQ-VHSXEESVSA-N 1 2 242.298 0.450 20 0 BCADLO O=C1CC[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000329061370 386597993 /nfs/dbraw/zinc/59/79/93/386597993.db2.gz UUKSZVDPLJGBRJ-VIFPVBQESA-N 1 2 220.276 0.216 20 0 BCADLO O=C1CC[C@@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000329167239 386622155 /nfs/dbraw/zinc/62/21/55/386622155.db2.gz IMHHSZWRGVKPCH-SNVBAGLBSA-N 1 2 220.276 0.216 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000268189470 386627469 /nfs/dbraw/zinc/62/74/69/386627469.db2.gz KMEKALCFKJCJMZ-SSDOTTSWSA-N 1 2 239.275 0.534 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000644931109 386628913 /nfs/dbraw/zinc/62/89/13/386628913.db2.gz PVYQYRKNDGZDDE-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO C[C@H](O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000644931109 386628917 /nfs/dbraw/zinc/62/89/17/386628917.db2.gz PVYQYRKNDGZDDE-JGVFFNPUSA-N 1 2 209.236 0.459 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H](CC)C(=O)OC ZINC000179194063 386628949 /nfs/dbraw/zinc/62/89/49/386628949.db2.gz JJFSMJCXALRLFK-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H](CC)C(=O)OC ZINC000179194063 386628953 /nfs/dbraw/zinc/62/89/53/386628953.db2.gz JJFSMJCXALRLFK-SECBINFHSA-N 1 2 230.308 0.396 20 0 BCADLO CC[C@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279127417 386637827 /nfs/dbraw/zinc/63/78/27/386637827.db2.gz DOPAMWFDYLYLQK-NSHDSACASA-N 1 2 225.292 0.620 20 0 BCADLO CCC(=O)N1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000644950687 386639458 /nfs/dbraw/zinc/63/94/58/386639458.db2.gz GVXSXIJYXILXPK-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO CCC(=O)N1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000644950687 386639463 /nfs/dbraw/zinc/63/94/63/386639463.db2.gz GVXSXIJYXILXPK-SNVBAGLBSA-N 1 2 212.293 0.677 20 0 BCADLO Cn1c[nH+]cc1CN1CC(O)(C(F)F)C1 ZINC000335509928 386643097 /nfs/dbraw/zinc/64/30/97/386643097.db2.gz ABLWLWGZDRIQDP-UHFFFAOYSA-N 1 2 217.219 0.232 20 0 BCADLO O=C1CN(Cc2[nH]cc[nH+]2)CN1C1CC1 ZINC000279191368 386645395 /nfs/dbraw/zinc/64/53/95/386645395.db2.gz TYBPAICQHKFAQV-UHFFFAOYSA-N 1 2 206.249 0.174 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279201712 386649733 /nfs/dbraw/zinc/64/97/33/386649733.db2.gz MVSOLWUBAHFUHQ-JTQLQIEISA-N 1 2 247.302 0.744 20 0 BCADLO O=C1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328606152 386601330 /nfs/dbraw/zinc/60/13/30/386601330.db2.gz KEJNTEXCIGIICQ-VHSXEESVSA-N 1 2 237.303 0.412 20 0 BCADLO O=C1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN12 ZINC000328606152 386601332 /nfs/dbraw/zinc/60/13/32/386601332.db2.gz KEJNTEXCIGIICQ-VHSXEESVSA-N 1 2 237.303 0.412 20 0 BCADLO c1[nH]c(CN2C[C@@H]3COC[C@H](C2)O3)c[nH+]1 ZINC000328661607 386603451 /nfs/dbraw/zinc/60/34/51/386603451.db2.gz AIBXKLNSWZLNJO-AOOOYVTPSA-N 1 2 209.249 0.009 20 0 BCADLO c1[nH]cc(CN2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC000328661607 386603456 /nfs/dbraw/zinc/60/34/56/386603456.db2.gz AIBXKLNSWZLNJO-AOOOYVTPSA-N 1 2 209.249 0.009 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnnn2C2CC2)C1 ZINC000329090778 386605419 /nfs/dbraw/zinc/60/54/19/386605419.db2.gz WSFCGWHDFLXKNN-AOOOYVTPSA-N 1 2 237.307 0.617 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnnn2C2CC2)C1 ZINC000329090778 386605424 /nfs/dbraw/zinc/60/54/24/386605424.db2.gz WSFCGWHDFLXKNN-AOOOYVTPSA-N 1 2 237.307 0.617 20 0 BCADLO Cc1ccc(NC(=O)CS(C)(=O)=O)c(C)[nH+]1 ZINC000268012856 386611392 /nfs/dbraw/zinc/61/13/92/386611392.db2.gz QMJRIRHRBRGURN-UHFFFAOYSA-N 1 2 242.300 0.682 20 0 BCADLO C[C@H](O)CC[NH+]1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000644921308 386612785 /nfs/dbraw/zinc/61/27/85/386612785.db2.gz CYHRSTORSDMTQU-RWMBFGLXSA-N 1 2 242.363 0.288 20 0 BCADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ncccc1O ZINC000408373108 386613576 /nfs/dbraw/zinc/61/35/76/386613576.db2.gz KJAOHQHJSWCCPC-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ncccc1O ZINC000408373108 386613579 /nfs/dbraw/zinc/61/35/79/386613579.db2.gz KJAOHQHJSWCCPC-UWVGGRQHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ncccc1O ZINC000408373106 386613636 /nfs/dbraw/zinc/61/36/36/386613636.db2.gz KJAOHQHJSWCCPC-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ncccc1O ZINC000408373106 386613641 /nfs/dbraw/zinc/61/36/41/386613641.db2.gz KJAOHQHJSWCCPC-NXEZZACHSA-N 1 2 249.314 0.952 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000336645655 386615232 /nfs/dbraw/zinc/61/52/32/386615232.db2.gz YKYDYFQXJUYTDA-FXQIFTODSA-N 1 2 203.307 0.889 20 0 BCADLO O=C1CNC(=O)N1CCc1cn2c([nH+]1)CCCC2 ZINC000328769034 386618493 /nfs/dbraw/zinc/61/84/93/386618493.db2.gz IIFHBRXAWFYLJL-UHFFFAOYSA-N 1 2 248.286 0.518 20 0 BCADLO COCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000425589707 386660241 /nfs/dbraw/zinc/66/02/41/386660241.db2.gz QUBDCKFKMXVVRB-UHFFFAOYSA-N 1 2 242.275 0.932 20 0 BCADLO CCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292368403 386660210 /nfs/dbraw/zinc/66/02/10/386660210.db2.gz KGGHASSNXNDDBG-UHFFFAOYSA-N 1 2 238.291 0.445 20 0 BCADLO COc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000428128947 386665572 /nfs/dbraw/zinc/66/55/72/386665572.db2.gz DIBLPZBOPCFVIP-UHFFFAOYSA-N 1 2 219.248 0.845 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000645002438 386665697 /nfs/dbraw/zinc/66/56/97/386665697.db2.gz GWXNPAXNZAYOQR-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000645002438 386665700 /nfs/dbraw/zinc/66/57/00/386665700.db2.gz GWXNPAXNZAYOQR-DTWKUNHWSA-N 1 2 223.263 0.705 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nccc(CO)n1 ZINC000428128618 386665747 /nfs/dbraw/zinc/66/57/47/386665747.db2.gz BZZMAADRPJZNBD-UHFFFAOYSA-N 1 2 219.248 0.328 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1cc[nH]n1 ZINC000330363492 386673342 /nfs/dbraw/zinc/67/33/42/386673342.db2.gz HRMRGDANWZFXAF-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1cc[nH]n1 ZINC000330363492 386673348 /nfs/dbraw/zinc/67/33/48/386673348.db2.gz HRMRGDANWZFXAF-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000188476073 386678039 /nfs/dbraw/zinc/67/80/39/386678039.db2.gz JVXCMDKGPXFZSZ-QMMMGPOBSA-N 1 2 210.281 0.366 20 0 BCADLO C[N@H+](C[C@@](C)(O)C(F)(F)F)[C@H]1CCNC1=O ZINC000337187521 386658667 /nfs/dbraw/zinc/65/86/67/386658667.db2.gz QETZTEZSVYBABY-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@@H+](C[C@@](C)(O)C(F)(F)F)[C@H]1CCNC1=O ZINC000337187521 386658672 /nfs/dbraw/zinc/65/86/72/386658672.db2.gz QETZTEZSVYBABY-POYBYMJQSA-N 1 2 240.225 0.120 20 0 BCADLO COC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000337231517 386683751 /nfs/dbraw/zinc/68/37/51/386683751.db2.gz IYEAFFVWMKPEDA-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)N(C)CC[N@H+]1CCOC[C@@H]1C ZINC000337231517 386683753 /nfs/dbraw/zinc/68/37/53/386683753.db2.gz IYEAFFVWMKPEDA-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCOC[C@@H]1C ZINC000337231517 386683757 /nfs/dbraw/zinc/68/37/57/386683757.db2.gz IYEAFFVWMKPEDA-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCOC[C@@H]1C ZINC000337231517 386683758 /nfs/dbraw/zinc/68/37/58/386683758.db2.gz IYEAFFVWMKPEDA-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO Cn1nnnc1CN1CCC(n2cc[nH+]c2)CC1 ZINC000329518416 386692061 /nfs/dbraw/zinc/69/20/61/386692061.db2.gz ZKIMRWQTMMXNEM-UHFFFAOYSA-N 1 2 247.306 0.244 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000292577366 386693884 /nfs/dbraw/zinc/69/38/84/386693884.db2.gz PDQNAVCMOOZYTP-RQJHMYQMSA-N 1 2 211.265 0.871 20 0 BCADLO CC(C)COCC[NH+]1CCS(=O)CC1 ZINC000337262026 386695100 /nfs/dbraw/zinc/69/51/00/386695100.db2.gz YJDBBQQGERBAPW-UHFFFAOYSA-N 1 2 219.350 0.723 20 0 BCADLO O=c1ccc(C[N@@H+]2CCO[C@@H](CF)C2)c[nH]1 ZINC000639260796 386711964 /nfs/dbraw/zinc/71/19/64/386711964.db2.gz GFZSHBGIJHGPRP-JTQLQIEISA-N 1 2 226.251 0.958 20 0 BCADLO O=c1ccc(C[N@H+]2CCO[C@@H](CF)C2)c[nH]1 ZINC000639260796 386711970 /nfs/dbraw/zinc/71/19/70/386711970.db2.gz GFZSHBGIJHGPRP-JTQLQIEISA-N 1 2 226.251 0.958 20 0 BCADLO CO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000330386024 386697066 /nfs/dbraw/zinc/69/70/66/386697066.db2.gz ALFDOPSSWGTLQG-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCC(=O)C1 ZINC000520586571 386698467 /nfs/dbraw/zinc/69/84/67/386698467.db2.gz CPIKCEAEZKJHLT-JTQLQIEISA-N 1 2 235.287 0.759 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000121522415 386712011 /nfs/dbraw/zinc/71/20/11/386712011.db2.gz UEEIKIIAKNMRDN-ZCFIWIBFSA-N 1 2 242.241 0.495 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000121522415 386712017 /nfs/dbraw/zinc/71/20/17/386712017.db2.gz UEEIKIIAKNMRDN-ZCFIWIBFSA-N 1 2 242.241 0.495 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)N[C@H](C)C1=O ZINC000292631974 386699664 /nfs/dbraw/zinc/69/96/64/386699664.db2.gz FGQFUBJGZWSWLO-SSDOTTSWSA-N 1 2 235.243 0.531 20 0 BCADLO Cc1c[nH+]ccc1CCN1CC(=O)N(C)C1 ZINC000335478369 386703211 /nfs/dbraw/zinc/70/32/11/386703211.db2.gz SLHGBVJAKAASAW-UHFFFAOYSA-N 1 2 219.288 0.664 20 0 BCADLO Cc1noc(OCCC[NH+]2CCOCC2)n1 ZINC000330411024 386706629 /nfs/dbraw/zinc/70/66/29/386706629.db2.gz RLLAUHSBFJJZIU-UHFFFAOYSA-N 1 2 227.264 0.479 20 0 BCADLO Cc1cc(C[N@H+](C)CCc2c[nH]nn2)no1 ZINC000647958429 386707890 /nfs/dbraw/zinc/70/78/90/386707890.db2.gz WCGVLWBJFMSXQC-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1cc(C[N@@H+](C)CCc2c[nH]nn2)no1 ZINC000647958429 386707899 /nfs/dbraw/zinc/70/78/99/386707899.db2.gz WCGVLWBJFMSXQC-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1cc(C[N@H+](C)CCc2cn[nH]n2)no1 ZINC000647958429 386707909 /nfs/dbraw/zinc/70/79/09/386707909.db2.gz WCGVLWBJFMSXQC-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO Cc1cc(C[N@@H+](C)CCc2cn[nH]n2)no1 ZINC000647958429 386707920 /nfs/dbraw/zinc/70/79/20/386707920.db2.gz WCGVLWBJFMSXQC-UHFFFAOYSA-N 1 2 221.264 0.776 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000527022086 386731807 /nfs/dbraw/zinc/73/18/07/386731807.db2.gz ALIJCBIOLWTJOI-QWRGUYRKSA-N 1 2 237.303 0.646 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CC(=O)N[C@@H](C)C1 ZINC000335546574 386731852 /nfs/dbraw/zinc/73/18/52/386731852.db2.gz MZYGTHQDZHEVPF-JTQLQIEISA-N 1 2 236.319 0.784 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)O ZINC000191959470 386732123 /nfs/dbraw/zinc/73/21/23/386732123.db2.gz ZBSQGGWRMNFOSR-IUCAKERBSA-N 1 2 217.309 0.935 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000186363843 386733205 /nfs/dbraw/zinc/73/32/05/386733205.db2.gz SFKMSQCZZAMTCJ-LBPRGKRZSA-N 1 2 240.303 0.293 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC1CC1 ZINC000186363843 386733209 /nfs/dbraw/zinc/73/32/09/386733209.db2.gz SFKMSQCZZAMTCJ-LBPRGKRZSA-N 1 2 240.303 0.293 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000279641774 386714451 /nfs/dbraw/zinc/71/44/51/386714451.db2.gz JJWVFWVWNSNTIJ-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000279641774 386714454 /nfs/dbraw/zinc/71/44/54/386714454.db2.gz JJWVFWVWNSNTIJ-CMPLNLGQSA-N 1 2 237.303 0.790 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)NC2(CC2)C1=O ZINC000292726068 386714940 /nfs/dbraw/zinc/71/49/40/386714940.db2.gz LXWRVZLPZNKHEB-UHFFFAOYSA-N 1 2 247.254 0.675 20 0 BCADLO Cc1nc(NCC(C)(C)CCCO)nc(N)[nH+]1 ZINC000302574947 386716145 /nfs/dbraw/zinc/71/61/45/386716145.db2.gz AVZQKLPKQMBIFS-UHFFFAOYSA-N 1 2 239.323 0.973 20 0 BCADLO Cc1nc(N)nc(NCC(C)(C)CCCO)[nH+]1 ZINC000302574947 386716152 /nfs/dbraw/zinc/71/61/52/386716152.db2.gz AVZQKLPKQMBIFS-UHFFFAOYSA-N 1 2 239.323 0.973 20 0 BCADLO CO[C@@H](C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000279674716 386716539 /nfs/dbraw/zinc/71/65/39/386716539.db2.gz FXKKCWFHDXCZBR-SNVBAGLBSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cncnc1)CCO2 ZINC000279677956 386718912 /nfs/dbraw/zinc/71/89/12/386718912.db2.gz OGTLPGFIBWTLAY-AAEUAGOBSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cncnc1)CCO2 ZINC000279677956 386718923 /nfs/dbraw/zinc/71/89/23/386718923.db2.gz OGTLPGFIBWTLAY-AAEUAGOBSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1OCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000268916345 386719415 /nfs/dbraw/zinc/71/94/15/386719415.db2.gz UXOQQJANEJULQW-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cncnc1)CCO2 ZINC000279677960 386720068 /nfs/dbraw/zinc/72/00/68/386720068.db2.gz OGTLPGFIBWTLAY-WCQYABFASA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cncnc1)CCO2 ZINC000279677960 386720072 /nfs/dbraw/zinc/72/00/72/386720072.db2.gz OGTLPGFIBWTLAY-WCQYABFASA-N 1 2 249.314 0.856 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)COC)CC1 ZINC000330465128 386722865 /nfs/dbraw/zinc/72/28/65/386722865.db2.gz VOOCHUYCOYQDFX-VIFPVBQESA-N 1 2 243.307 0.091 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCCn1cccn1 ZINC000526988023 386725765 /nfs/dbraw/zinc/72/57/65/386725765.db2.gz JJHBQGAQBMEJTR-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO Cn1nccc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330470636 386726094 /nfs/dbraw/zinc/72/60/94/386726094.db2.gz AYYFQGQIAWCLDQ-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000330474804 386726966 /nfs/dbraw/zinc/72/69/66/386726966.db2.gz IBFQYBLFBNZHCR-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000330474804 386726975 /nfs/dbraw/zinc/72/69/75/386726975.db2.gz IBFQYBLFBNZHCR-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO Cc1c(C[N@@H+](C)[C@H]2CCN(C)C2=O)cnn1C ZINC000268971162 386730030 /nfs/dbraw/zinc/73/00/30/386730030.db2.gz AKVNQSWSSMQYBL-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO Cc1c(C[N@H+](C)[C@H]2CCN(C)C2=O)cnn1C ZINC000268971162 386730035 /nfs/dbraw/zinc/73/00/35/386730035.db2.gz AKVNQSWSSMQYBL-NSHDSACASA-N 1 2 236.319 0.391 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1Cc1cn(C)nn1 ZINC000335539917 386747490 /nfs/dbraw/zinc/74/74/90/386747490.db2.gz CUAFIZHXGUUZML-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO C[C@@H]1CSCC[N@H+]1Cc1cn(C)nn1 ZINC000335539917 386747495 /nfs/dbraw/zinc/74/74/95/386747495.db2.gz CUAFIZHXGUUZML-MRVPVSSYSA-N 1 2 212.322 0.752 20 0 BCADLO COc1ncncc1C[NH+]1CCC(O)CC1 ZINC000647999330 386747579 /nfs/dbraw/zinc/74/75/79/386747579.db2.gz BCUXQKBPQOYLHR-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO CC(C)N(C(=O)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000292910303 386748759 /nfs/dbraw/zinc/74/87/59/386748759.db2.gz RQFQNOOBLANHNE-LLVKDONJSA-N 1 2 237.303 0.909 20 0 BCADLO CC(C)N(C(=O)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000292910304 386748956 /nfs/dbraw/zinc/74/89/56/386748956.db2.gz RQFQNOOBLANHNE-NSHDSACASA-N 1 2 237.303 0.909 20 0 BCADLO CS[C@@H](CO)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000269156255 386758039 /nfs/dbraw/zinc/75/80/39/386758039.db2.gz NAXHAGALWXDEBJ-MUWHJKNJSA-N 1 2 243.332 0.560 20 0 BCADLO CCS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000292995386 386760709 /nfs/dbraw/zinc/76/07/09/386760709.db2.gz NGXVTIXIVZITBA-UHFFFAOYSA-N 1 2 230.289 0.530 20 0 BCADLO C[C@H](c1nnnn1C)[NH+]1CCC(CCO)CC1 ZINC000527048970 386761568 /nfs/dbraw/zinc/76/15/68/386761568.db2.gz YWKGPAUKCOKVGM-SECBINFHSA-N 1 2 239.323 0.366 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCc1c[nH+]cn1C ZINC000426484958 386767708 /nfs/dbraw/zinc/76/77/08/386767708.db2.gz HJBPLGGNPAISSN-LLVKDONJSA-N 1 2 225.292 0.443 20 0 BCADLO CN(C)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000247997861 386741133 /nfs/dbraw/zinc/74/11/33/386741133.db2.gz MYZXWUYOFWOHHK-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO CN(C)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000247997861 386741141 /nfs/dbraw/zinc/74/11/41/386741141.db2.gz MYZXWUYOFWOHHK-UHFFFAOYSA-N 1 2 207.277 0.602 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567165 386791454 /nfs/dbraw/zinc/79/14/54/386791454.db2.gz MROPRGACBNJYRP-UTLUCORTSA-N 1 2 232.299 0.306 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330567165 386791459 /nfs/dbraw/zinc/79/14/59/386791459.db2.gz MROPRGACBNJYRP-UTLUCORTSA-N 1 2 232.299 0.306 20 0 BCADLO O=C1NCC[C@H]1N1CC[NH+](Cc2ccco2)CC1 ZINC000269296353 386772687 /nfs/dbraw/zinc/77/26/87/386772687.db2.gz XBNFWWXVKKVJLU-GFCCVEGCSA-N 1 2 249.314 0.286 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCc2n[nH]cc21 ZINC000280060017 386775166 /nfs/dbraw/zinc/77/51/66/386775166.db2.gz IILDJOYLLHANCK-UHFFFAOYSA-N 1 2 245.286 0.976 20 0 BCADLO O[C@H]1C[NH+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000408443893 386775335 /nfs/dbraw/zinc/77/53/35/386775335.db2.gz RBELZGLKDSZJEJ-IUCAKERBSA-N 1 2 224.260 0.089 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1[nH]cc[nH+]1 ZINC000269327846 386779882 /nfs/dbraw/zinc/77/98/82/386779882.db2.gz WHWSUABUGMEPOG-JTQLQIEISA-N 1 2 211.265 0.577 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1nccs1 ZINC000290130950 386784059 /nfs/dbraw/zinc/78/40/59/386784059.db2.gz LTYDQMPFLOFGQB-YUMQZZPRSA-N 1 2 214.290 0.647 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCCN(C)CC1 ZINC000269384980 386786176 /nfs/dbraw/zinc/78/61/76/386786176.db2.gz ZCHGRYBGSIGFBI-UHFFFAOYSA-N 1 2 208.309 0.856 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCCN(C)CC1 ZINC000269384980 386786181 /nfs/dbraw/zinc/78/61/81/386786181.db2.gz ZCHGRYBGSIGFBI-UHFFFAOYSA-N 1 2 208.309 0.856 20 0 BCADLO CC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000330665935 386817506 /nfs/dbraw/zinc/81/75/06/386817506.db2.gz HRVDJGTYOPTVPA-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000330665935 386817513 /nfs/dbraw/zinc/81/75/13/386817513.db2.gz HRVDJGTYOPTVPA-VIFPVBQESA-N 1 2 211.265 0.229 20 0 BCADLO COc1cc(C[N@@H+]2CCn3ncnc3C2)ccn1 ZINC000329935359 386817704 /nfs/dbraw/zinc/81/77/04/386817704.db2.gz QZBPQEIRULFQRA-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cc(C[N@H+]2CCn3ncnc3C2)ccn1 ZINC000329935359 386817707 /nfs/dbraw/zinc/81/77/07/386817707.db2.gz QZBPQEIRULFQRA-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000280467629 386818178 /nfs/dbraw/zinc/81/81/78/386818178.db2.gz MOYIBXFSGPYKGR-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000280467629 386818182 /nfs/dbraw/zinc/81/81/82/386818182.db2.gz MOYIBXFSGPYKGR-QMMMGPOBSA-N 1 2 209.249 0.405 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330618739 386818819 /nfs/dbraw/zinc/81/88/19/386818819.db2.gz HSLIUYWGAWWCFN-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330618739 386818824 /nfs/dbraw/zinc/81/88/24/386818824.db2.gz HSLIUYWGAWWCFN-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)C[C@H]1C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000280310160 386802293 /nfs/dbraw/zinc/80/22/93/386802293.db2.gz WXKBJYMFAZHBHC-NSHDSACASA-N 1 2 236.319 0.756 20 0 BCADLO CC(C)C[C@H]1C(=O)NCCN1Cc1c[nH]c[nH+]1 ZINC000280310160 386802300 /nfs/dbraw/zinc/80/23/00/386802300.db2.gz WXKBJYMFAZHBHC-NSHDSACASA-N 1 2 236.319 0.756 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330589836 386802796 /nfs/dbraw/zinc/80/27/96/386802796.db2.gz ZUANAYZEZZAIPD-KOLCDFICSA-N 1 2 249.314 0.929 20 0 BCADLO CC(=O)C1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000293342893 386804231 /nfs/dbraw/zinc/80/42/31/386804231.db2.gz DFAMJUAVNIZJFR-SECBINFHSA-N 1 2 235.287 0.757 20 0 BCADLO CCOCCO[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000357549923 386805241 /nfs/dbraw/zinc/80/52/41/386805241.db2.gz MKXGUKHUUIHLKH-SECBINFHSA-N 1 2 241.291 0.468 20 0 BCADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000191236894 386806158 /nfs/dbraw/zinc/80/61/58/386806158.db2.gz LTECWDNAIOZGKC-JTQLQIEISA-N 1 2 224.308 0.600 20 0 BCADLO CC(C)(C)n1cc(C[N@H+]2CC[C@H](O)C2)nn1 ZINC000191236894 386806161 /nfs/dbraw/zinc/80/61/61/386806161.db2.gz LTECWDNAIOZGKC-JTQLQIEISA-N 1 2 224.308 0.600 20 0 BCADLO CCCCC[N@H+](CCO)Cc1nnn(C)n1 ZINC000192981718 386807028 /nfs/dbraw/zinc/80/70/28/386807028.db2.gz PLCHZALUXOESNZ-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CCCCC[N@@H+](CCO)Cc1nnn(C)n1 ZINC000192981718 386807032 /nfs/dbraw/zinc/80/70/32/386807032.db2.gz PLCHZALUXOESNZ-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@H]2CCC[C@@H]2CCO)[nH]1 ZINC000336672857 386824422 /nfs/dbraw/zinc/82/44/22/386824422.db2.gz JHQVGXFHNAUBLK-SFYZADRCSA-N 1 2 226.280 0.151 20 0 BCADLO Cn1c(C2CC2)nnc1N1CCn2cc[nH+]c2C1 ZINC000329852728 386811098 /nfs/dbraw/zinc/81/10/98/386811098.db2.gz RPWNISYAHWNXDN-UHFFFAOYSA-N 1 2 244.302 0.909 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cs1 ZINC000395331987 386813587 /nfs/dbraw/zinc/81/35/87/386813587.db2.gz SXPRFJKJBVFSHE-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cs1 ZINC000395331987 386813593 /nfs/dbraw/zinc/81/35/93/386813593.db2.gz SXPRFJKJBVFSHE-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO Cc1nnc(C[N@@H+](C)CC(C)(CO)CO)s1 ZINC000330657633 386813670 /nfs/dbraw/zinc/81/36/70/386813670.db2.gz PVYPIBIBAZHBTK-UHFFFAOYSA-N 1 2 245.348 0.269 20 0 BCADLO Cc1nnc(C[N@H+](C)CC(C)(CO)CO)s1 ZINC000330657633 386813675 /nfs/dbraw/zinc/81/36/75/386813675.db2.gz PVYPIBIBAZHBTK-UHFFFAOYSA-N 1 2 245.348 0.269 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCn2cncn2)no1 ZINC000330628372 386825193 /nfs/dbraw/zinc/82/51/93/386825193.db2.gz LLPCBAFPLBQNFJ-UHFFFAOYSA-N 1 2 236.279 0.494 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCF ZINC000280575414 386825444 /nfs/dbraw/zinc/82/54/44/386825444.db2.gz MAEDDZOLWVBMSA-QMMMGPOBSA-N 1 2 214.244 0.540 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330680654 386828357 /nfs/dbraw/zinc/82/83/57/386828357.db2.gz YZDJTMPQSBIBFA-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330680654 386828361 /nfs/dbraw/zinc/82/83/61/386828361.db2.gz YZDJTMPQSBIBFA-DTWKUNHWSA-N 1 2 237.303 0.717 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000330080936 386828997 /nfs/dbraw/zinc/82/89/97/386828997.db2.gz PHABBKQXZZJJGI-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000330080936 386829001 /nfs/dbraw/zinc/82/90/01/386829001.db2.gz PHABBKQXZZJJGI-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000330080936 386829009 /nfs/dbraw/zinc/82/90/09/386829009.db2.gz PHABBKQXZZJJGI-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000330080936 386829014 /nfs/dbraw/zinc/82/90/14/386829014.db2.gz PHABBKQXZZJJGI-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cc(C)ccn1 ZINC000645172364 386834833 /nfs/dbraw/zinc/83/48/33/386834833.db2.gz QFFNTCJLZJNYED-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cc(C)ccn1 ZINC000645172364 386834837 /nfs/dbraw/zinc/83/48/37/386834837.db2.gz QFFNTCJLZJNYED-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000330206005 386836578 /nfs/dbraw/zinc/83/65/78/386836578.db2.gz CWNFCIJWSQXRNO-KWQFWETISA-N 1 2 239.323 0.503 20 0 BCADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nnn(C)n2)C1(C)C ZINC000330206004 386837470 /nfs/dbraw/zinc/83/74/70/386837470.db2.gz CWNFCIJWSQXRNO-KCJUWKMLSA-N 1 2 239.323 0.503 20 0 BCADLO Cc1cnc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000330240643 386840443 /nfs/dbraw/zinc/84/04/43/386840443.db2.gz FJUVSTMAHGFVNV-SECBINFHSA-N 1 2 246.270 0.924 20 0 BCADLO CON(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280717092 386841394 /nfs/dbraw/zinc/84/13/94/386841394.db2.gz HFFQSFXQEUZYOI-VIFPVBQESA-N 1 2 226.280 0.043 20 0 BCADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000334784375 386842298 /nfs/dbraw/zinc/84/22/98/386842298.db2.gz KLEKOSWLIILUTI-PSASIEDQSA-N 1 2 212.293 0.232 20 0 BCADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000334784375 386842304 /nfs/dbraw/zinc/84/23/04/386842304.db2.gz KLEKOSWLIILUTI-PSASIEDQSA-N 1 2 212.293 0.232 20 0 BCADLO C[C@]12CC[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1C2(F)F ZINC000330262276 386844141 /nfs/dbraw/zinc/84/41/41/386844141.db2.gz UTPWSVJHIJEBGN-MUWHJKNJSA-N 1 2 244.245 0.987 20 0 BCADLO C[C@]12CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1C2(F)F ZINC000330262276 386844144 /nfs/dbraw/zinc/84/41/44/386844144.db2.gz UTPWSVJHIJEBGN-MUWHJKNJSA-N 1 2 244.245 0.987 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC000331399434 386847965 /nfs/dbraw/zinc/84/79/65/386847965.db2.gz NHMPBGBFHRGELZ-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC000331399434 386847970 /nfs/dbraw/zinc/84/79/70/386847970.db2.gz NHMPBGBFHRGELZ-VIFPVBQESA-N 1 2 240.303 0.150 20 0 BCADLO C[C@@H](CNC(=O)NC1CCC1)[NH+]1CCOCC1 ZINC000331397158 386848805 /nfs/dbraw/zinc/84/88/05/386848805.db2.gz FWAIOYHJZUDKNV-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO CC(C)(C(=O)NC[C@H](O)C1CC1)c1c[nH]c[nH+]1 ZINC000331415967 386850300 /nfs/dbraw/zinc/85/03/00/386850300.db2.gz CGLPDHQCEZETBW-VIFPVBQESA-N 1 2 237.303 0.574 20 0 BCADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CC2)[nH]1 ZINC000331415185 386850753 /nfs/dbraw/zinc/85/07/53/386850753.db2.gz AEFWLQOXGFQQFE-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CC2)[nH]1 ZINC000331415185 386850761 /nfs/dbraw/zinc/85/07/61/386850761.db2.gz AEFWLQOXGFQQFE-UHFFFAOYSA-N 1 2 224.308 0.885 20 0 BCADLO CC(C)n1nnnc1C[N@H+](C)C1(CO)CC1 ZINC000331441953 386852658 /nfs/dbraw/zinc/85/26/58/386852658.db2.gz FKVKQFXXCMLCTP-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@@H+](C)C1(CO)CC1 ZINC000331441953 386852660 /nfs/dbraw/zinc/85/26/60/386852660.db2.gz FKVKQFXXCMLCTP-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CN1CC[N@H+](CC2CCC(=O)CC2)CC1=O ZINC000334793256 386859556 /nfs/dbraw/zinc/85/95/56/386859556.db2.gz YLRPFVUKJIXSOR-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CN1CC[N@@H+](CC2CCC(=O)CC2)CC1=O ZINC000334793256 386859560 /nfs/dbraw/zinc/85/95/60/386859560.db2.gz YLRPFVUKJIXSOR-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO C[C@@](O)(CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000331492070 386861080 /nfs/dbraw/zinc/86/10/80/386861080.db2.gz POEICZYZLPLSRJ-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO C[C@@](O)(CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000331492070 386861083 /nfs/dbraw/zinc/86/10/83/386861083.db2.gz POEICZYZLPLSRJ-LLVKDONJSA-N 1 2 223.276 0.577 20 0 BCADLO COCc1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000330707080 386861958 /nfs/dbraw/zinc/86/19/58/386861958.db2.gz UNDNWNPPORHQGR-QMMMGPOBSA-N 1 2 227.264 0.437 20 0 BCADLO COCc1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000330707080 386861959 /nfs/dbraw/zinc/86/19/59/386861959.db2.gz UNDNWNPPORHQGR-QMMMGPOBSA-N 1 2 227.264 0.437 20 0 BCADLO CCCc1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331507200 386863442 /nfs/dbraw/zinc/86/34/42/386863442.db2.gz PDONWFIRZCFFPV-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCCc1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331507200 386863446 /nfs/dbraw/zinc/86/34/46/386863446.db2.gz PDONWFIRZCFFPV-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO COC(=O)[C@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495291982 533200205 /nfs/dbraw/zinc/20/02/05/533200205.db2.gz OKGVOXMDQLOIOJ-QMMMGPOBSA-N 1 2 242.275 0.122 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497077094 533200597 /nfs/dbraw/zinc/20/05/97/533200597.db2.gz NFUUAMZCEXJOKU-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497077094 533200598 /nfs/dbraw/zinc/20/05/98/533200598.db2.gz NFUUAMZCEXJOKU-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051886922 386873323 /nfs/dbraw/zinc/87/33/23/386873323.db2.gz WIYMEVCBUXDORE-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051886922 386873329 /nfs/dbraw/zinc/87/33/29/386873329.db2.gz WIYMEVCBUXDORE-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCN(C(=O)CCn1cc[nH+]c1)[C@H](C)CO ZINC000293764068 386873877 /nfs/dbraw/zinc/87/38/77/386873877.db2.gz XTATURTVHUCEDT-SNVBAGLBSA-N 1 2 225.292 0.503 20 0 BCADLO O=C([C@@H]1CCC[C@@H](O)C1)N1CCn2cc[nH+]c2C1 ZINC000335749416 386874275 /nfs/dbraw/zinc/87/42/75/386874275.db2.gz RZNWYGPPYLOJQU-GHMZBOCLSA-N 1 2 249.314 0.776 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)[C@]1(CO)CCOC1 ZINC000330808003 386894693 /nfs/dbraw/zinc/89/46/93/386894693.db2.gz MZWZQMSQQUYOSB-LBPRGKRZSA-N 1 2 245.319 0.411 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@]1(CO)CCOC1 ZINC000330808003 386894697 /nfs/dbraw/zinc/89/46/97/386894697.db2.gz MZWZQMSQQUYOSB-LBPRGKRZSA-N 1 2 245.319 0.411 20 0 BCADLO COC[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000293794541 386878611 /nfs/dbraw/zinc/87/86/11/386878611.db2.gz CJOOULBTBHTNDZ-VMZHVLLKSA-N 1 2 221.260 0.670 20 0 BCADLO C[N@H+](CC(=O)Nc1nccs1)C1CC(O)C1 ZINC000331649457 386879143 /nfs/dbraw/zinc/87/91/43/386879143.db2.gz WJJBKHWKNIKWJW-UHFFFAOYSA-N 1 2 241.316 0.537 20 0 BCADLO C[N@@H+](CC(=O)Nc1nccs1)C1CC(O)C1 ZINC000331649457 386879147 /nfs/dbraw/zinc/87/91/47/386879147.db2.gz WJJBKHWKNIKWJW-UHFFFAOYSA-N 1 2 241.316 0.537 20 0 BCADLO Cc1cc(NC(=O)N2C[C@H](O)C[C@H]2C)cc[nH+]1 ZINC000335755512 386883143 /nfs/dbraw/zinc/88/31/43/386883143.db2.gz XVRGVCONNYDZKO-MWLCHTKSSA-N 1 2 235.287 0.799 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CCN1 ZINC000335758058 386886148 /nfs/dbraw/zinc/88/61/48/386886148.db2.gz ODKYRZGMFVGCAV-NSHDSACASA-N 1 2 238.331 0.910 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCN1 ZINC000335758058 386886151 /nfs/dbraw/zinc/88/61/51/386886151.db2.gz ODKYRZGMFVGCAV-NSHDSACASA-N 1 2 238.331 0.910 20 0 BCADLO C[N@H+](Cc1cn(C(C)(C)C)nn1)C1CC(O)C1 ZINC000331743843 386888878 /nfs/dbraw/zinc/88/88/78/386888878.db2.gz BRRDYQBRJVVLSC-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CC(O)C1 ZINC000331743843 386888884 /nfs/dbraw/zinc/88/88/84/386888884.db2.gz BRRDYQBRJVVLSC-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO COCc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331746992 386890372 /nfs/dbraw/zinc/89/03/72/386890372.db2.gz DBMNBAIUTIIRPU-UHFFFAOYSA-N 1 2 227.264 0.171 20 0 BCADLO COCc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331746992 386890375 /nfs/dbraw/zinc/89/03/75/386890375.db2.gz DBMNBAIUTIIRPU-UHFFFAOYSA-N 1 2 227.264 0.171 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000367846050 386914082 /nfs/dbraw/zinc/91/40/82/386914082.db2.gz KJLCBZROVLJCBT-UHFFFAOYSA-N 1 2 233.315 0.918 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCc2ncccc2C1 ZINC000367846050 386914085 /nfs/dbraw/zinc/91/40/85/386914085.db2.gz KJLCBZROVLJCBT-UHFFFAOYSA-N 1 2 233.315 0.918 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cnn(C)c1 ZINC000331844176 386916486 /nfs/dbraw/zinc/91/64/86/386916486.db2.gz MUNQSAXPFQWUNO-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000331844176 386916491 /nfs/dbraw/zinc/91/64/91/386916491.db2.gz MUNQSAXPFQWUNO-SECBINFHSA-N 1 2 232.291 0.588 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425353539 386917494 /nfs/dbraw/zinc/91/74/94/386917494.db2.gz JGGKEUZWEJBJRD-MRVPVSSYSA-N 1 2 224.264 0.157 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425353539 386917498 /nfs/dbraw/zinc/91/74/98/386917498.db2.gz JGGKEUZWEJBJRD-MRVPVSSYSA-N 1 2 224.264 0.157 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000330901719 386918934 /nfs/dbraw/zinc/91/89/34/386918934.db2.gz RTLZSEQIQZDOSJ-ZJUUUORDSA-N 1 2 223.276 0.424 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cnn2c1OCCC2 ZINC000645525158 386895907 /nfs/dbraw/zinc/89/59/07/386895907.db2.gz OCCMKOHQUXBUJQ-UHFFFAOYSA-N 1 2 247.258 0.319 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cnn2c1OCCC2 ZINC000645525158 386895914 /nfs/dbraw/zinc/89/59/14/386895914.db2.gz OCCMKOHQUXBUJQ-UHFFFAOYSA-N 1 2 247.258 0.319 20 0 BCADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331778656 386901234 /nfs/dbraw/zinc/90/12/34/386901234.db2.gz NGMBYEGDNQKARD-CPCISQLKSA-N 1 2 240.307 0.804 20 0 BCADLO COCc1n[nH]c([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000330866355 386907051 /nfs/dbraw/zinc/90/70/51/386907051.db2.gz XPCAVHYQNHVLSD-VIFPVBQESA-N 1 2 240.307 0.470 20 0 BCADLO COCc1n[nH]c([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000330866355 386907053 /nfs/dbraw/zinc/90/70/53/386907053.db2.gz XPCAVHYQNHVLSD-VIFPVBQESA-N 1 2 240.307 0.470 20 0 BCADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCOC1 ZINC000358173286 386907569 /nfs/dbraw/zinc/90/75/69/386907569.db2.gz VSRFCVGSHNIXMX-LBPRGKRZSA-N 1 2 235.287 0.652 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000330883413 386909091 /nfs/dbraw/zinc/90/90/91/386909091.db2.gz BFWMBWXGBPTCNC-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000330883413 386909094 /nfs/dbraw/zinc/90/90/94/386909094.db2.gz BFWMBWXGBPTCNC-LBPRGKRZSA-N 1 2 237.303 0.368 20 0 BCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC1 ZINC000335767577 386909883 /nfs/dbraw/zinc/90/98/83/386909883.db2.gz WJNFTAOPIGBEMR-LLVKDONJSA-N 1 2 239.319 0.265 20 0 BCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC1 ZINC000335767577 386909886 /nfs/dbraw/zinc/90/98/86/386909886.db2.gz WJNFTAOPIGBEMR-LLVKDONJSA-N 1 2 239.319 0.265 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000367960417 386921148 /nfs/dbraw/zinc/92/11/48/386921148.db2.gz ZIANSPCBQQDPCW-ADEWGFFLSA-N 1 2 249.314 0.851 20 0 BCADLO CO[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000330895475 386922878 /nfs/dbraw/zinc/92/28/78/386922878.db2.gz MRPDZVCNOIJSPM-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO CO[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000330895477 386923780 /nfs/dbraw/zinc/92/37/80/386923780.db2.gz MRPDZVCNOIJSPM-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO CCC[C@]1(CO)CC[N@H+](Cc2nnnn2C)C1 ZINC000367984030 386926082 /nfs/dbraw/zinc/92/60/82/386926082.db2.gz SIPOOZTXIKEWTK-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CCC[C@]1(CO)CC[N@@H+](Cc2nnnn2C)C1 ZINC000367984030 386926084 /nfs/dbraw/zinc/92/60/84/386926084.db2.gz SIPOOZTXIKEWTK-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)nn1C ZINC000331917303 386926645 /nfs/dbraw/zinc/92/66/45/386926645.db2.gz SWKHNXGZEHOFHD-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000341604044 386930945 /nfs/dbraw/zinc/93/09/45/386930945.db2.gz JPGHKEOGAGRZPW-BBBLOLIVSA-N 1 2 245.298 0.069 20 0 BCADLO C[C@H](CF)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000341604044 386930952 /nfs/dbraw/zinc/93/09/52/386930952.db2.gz JPGHKEOGAGRZPW-BBBLOLIVSA-N 1 2 245.298 0.069 20 0 BCADLO OCc1ccnc(NCCNc2cccc[nH+]2)n1 ZINC000341604493 386931673 /nfs/dbraw/zinc/93/16/73/386931673.db2.gz GMABZWHFIIPGBH-UHFFFAOYSA-N 1 2 245.286 0.888 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@@H](CO)C1CC1 ZINC000358310169 386932582 /nfs/dbraw/zinc/93/25/82/386932582.db2.gz KTHIGSTYDSVUJN-NSHDSACASA-N 1 2 237.303 0.408 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC[C@H](CO)C1CC1 ZINC000358310167 386932865 /nfs/dbraw/zinc/93/28/65/386932865.db2.gz KTHIGSTYDSVUJN-LLVKDONJSA-N 1 2 237.303 0.408 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000330922340 386934173 /nfs/dbraw/zinc/93/41/73/386934173.db2.gz BFSAYWVSIRXWTB-UWVGGRQHSA-N 1 2 223.276 0.984 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000330922340 386934180 /nfs/dbraw/zinc/93/41/80/386934180.db2.gz BFSAYWVSIRXWTB-UWVGGRQHSA-N 1 2 223.276 0.984 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000368054432 386934537 /nfs/dbraw/zinc/93/45/37/386934537.db2.gz DASXBKCMQNVEJU-GXSJLCMTSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000368054432 386934541 /nfs/dbraw/zinc/93/45/41/386934541.db2.gz DASXBKCMQNVEJU-GXSJLCMTSA-N 1 2 222.292 0.426 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000331020652 386936297 /nfs/dbraw/zinc/93/62/97/386936297.db2.gz JSQZXYUTEAPWTF-LLVKDONJSA-N 1 2 225.292 0.475 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@]23CCOC3)n1 ZINC000368066839 386936387 /nfs/dbraw/zinc/93/63/87/386936387.db2.gz ZESUETFJHNVGSY-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@]23CCOC3)n1 ZINC000368066839 386936392 /nfs/dbraw/zinc/93/63/92/386936392.db2.gz ZESUETFJHNVGSY-LLVKDONJSA-N 1 2 222.292 0.570 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331986711 386937142 /nfs/dbraw/zinc/93/71/42/386937142.db2.gz GMQMCFLQAQMYQU-IUCAKERBSA-N 1 2 237.259 0.225 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331986711 386937147 /nfs/dbraw/zinc/93/71/47/386937147.db2.gz GMQMCFLQAQMYQU-IUCAKERBSA-N 1 2 237.259 0.225 20 0 BCADLO CCOCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330976031 386938111 /nfs/dbraw/zinc/93/81/11/386938111.db2.gz UCKNWITUHNMBIR-UHFFFAOYSA-N 1 2 225.292 0.840 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330987550 386940587 /nfs/dbraw/zinc/94/05/87/386940587.db2.gz RFPQQRQXJHACBD-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330987550 386940589 /nfs/dbraw/zinc/94/05/89/386940589.db2.gz RFPQQRQXJHACBD-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO Cn1ncc2c1nc(N[C@H]1CCOC1)[nH+]c2N ZINC000302874533 386940811 /nfs/dbraw/zinc/94/08/11/386940811.db2.gz DXCZJHKVTBENCY-LURJTMIESA-N 1 2 234.263 0.146 20 0 BCADLO CC(C)(O)CC(=O)NCCn1cc[nH+]c1 ZINC000330998054 386943146 /nfs/dbraw/zinc/94/31/46/386943146.db2.gz VPLPQPSBIVVQCB-UHFFFAOYSA-N 1 2 211.265 0.160 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cc1ncnn1CCF ZINC000353220971 386945729 /nfs/dbraw/zinc/94/57/29/386945729.db2.gz QJLXOMWGEARUBA-SECBINFHSA-N 1 2 230.287 0.714 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cc1ncnn1CCF ZINC000353220971 386945736 /nfs/dbraw/zinc/94/57/36/386945736.db2.gz QJLXOMWGEARUBA-SECBINFHSA-N 1 2 230.287 0.714 20 0 BCADLO CO[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000331013486 386946283 /nfs/dbraw/zinc/94/62/83/386946283.db2.gz SWVQWILRFNHWQJ-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO C[C@H](CF)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352901217 386954946 /nfs/dbraw/zinc/95/49/46/386954946.db2.gz POOMXWVIDIEWQR-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](CF)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352901217 386954952 /nfs/dbraw/zinc/95/49/52/386954952.db2.gz POOMXWVIDIEWQR-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2ncccc2C1 ZINC000368326974 386960391 /nfs/dbraw/zinc/96/03/91/386960391.db2.gz FAMOOZCJOSVSCT-JTQLQIEISA-N 1 2 233.315 0.916 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2ncccc2C1 ZINC000368326974 386960395 /nfs/dbraw/zinc/96/03/95/386960395.db2.gz FAMOOZCJOSVSCT-JTQLQIEISA-N 1 2 233.315 0.916 20 0 BCADLO CCCN1CC(=O)N[C@@H]1c1c[nH+]cn1C ZINC000639425390 386961842 /nfs/dbraw/zinc/96/18/42/386961842.db2.gz XTENVUJWGCGDPR-JTQLQIEISA-N 1 2 208.265 0.261 20 0 BCADLO O=C(COC1CCCC1)NCc1c[nH+]c[nH]1 ZINC000332326577 386970772 /nfs/dbraw/zinc/97/07/72/386970772.db2.gz PIFXFTNZWZDSGB-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO O=C(COC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000332326577 386970778 /nfs/dbraw/zinc/97/07/78/386970778.db2.gz PIFXFTNZWZDSGB-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H](O)C23CCCC3)n1 ZINC000330336166 386971846 /nfs/dbraw/zinc/97/18/46/386971846.db2.gz SETQNXVCLKDOEQ-SECBINFHSA-N 1 2 237.307 0.090 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H](O)C23CCCC3)n1 ZINC000330336166 386971853 /nfs/dbraw/zinc/97/18/53/386971853.db2.gz SETQNXVCLKDOEQ-SECBINFHSA-N 1 2 237.307 0.090 20 0 BCADLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCOC1 ZINC000332346208 386971929 /nfs/dbraw/zinc/97/19/29/386971929.db2.gz UIRXWSFYINYLGH-GFCCVEGCSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nccn1C ZINC000331146578 386972975 /nfs/dbraw/zinc/97/29/75/386972975.db2.gz GWVRZXRBBACCRR-MNOVXSKESA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nccn1C ZINC000331146578 386972978 /nfs/dbraw/zinc/97/29/78/386972978.db2.gz GWVRZXRBBACCRR-MNOVXSKESA-N 1 2 239.319 0.392 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332360340 386974080 /nfs/dbraw/zinc/97/40/80/386974080.db2.gz JITAQWYLUFODAO-CBAPKCEASA-N 1 2 239.275 0.729 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000332360340 386974084 /nfs/dbraw/zinc/97/40/84/386974084.db2.gz JITAQWYLUFODAO-CBAPKCEASA-N 1 2 239.275 0.729 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1ncccn1)[C@@H](C)CO ZINC000331159817 386976598 /nfs/dbraw/zinc/97/65/98/386976598.db2.gz KEIKULMEBIUBDZ-VHSXEESVSA-N 1 2 225.292 0.040 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1ncccn1)[C@@H](C)CO ZINC000331159817 386976602 /nfs/dbraw/zinc/97/66/02/386976602.db2.gz KEIKULMEBIUBDZ-VHSXEESVSA-N 1 2 225.292 0.040 20 0 BCADLO C[N@H+](CCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331186790 386984061 /nfs/dbraw/zinc/98/40/61/386984061.db2.gz JJVGROGMXUOYTQ-UHFFFAOYSA-N 1 2 226.324 0.916 20 0 BCADLO C[N@@H+](CCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331186790 386984067 /nfs/dbraw/zinc/98/40/67/386984067.db2.gz JJVGROGMXUOYTQ-UHFFFAOYSA-N 1 2 226.324 0.916 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352989543 386984587 /nfs/dbraw/zinc/98/45/87/386984587.db2.gz SDYFNHRHBMLBFT-GUBZILKMSA-N 1 2 235.324 0.853 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352989543 386984590 /nfs/dbraw/zinc/98/45/90/386984590.db2.gz SDYFNHRHBMLBFT-GUBZILKMSA-N 1 2 235.324 0.853 20 0 BCADLO CN(C)c1ccc(CNC(=O)C2(O)CCC2)c[nH+]1 ZINC000332491083 386985879 /nfs/dbraw/zinc/98/58/79/386985879.db2.gz STKNKHPDOWUWDI-UHFFFAOYSA-N 1 2 249.314 0.679 20 0 BCADLO Cc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)no1 ZINC000331193518 386988329 /nfs/dbraw/zinc/98/83/29/386988329.db2.gz XYUGHAXIJZQXQI-JQWIXIFHSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)no1 ZINC000331193518 386988334 /nfs/dbraw/zinc/98/83/34/386988334.db2.gz XYUGHAXIJZQXQI-JQWIXIFHSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nocc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332633826 386994513 /nfs/dbraw/zinc/99/45/13/386994513.db2.gz ITLRIOVCKHVWBO-SNVBAGLBSA-N 1 2 244.316 0.602 20 0 BCADLO Cc1nocc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000332633826 386994518 /nfs/dbraw/zinc/99/45/18/386994518.db2.gz ITLRIOVCKHVWBO-SNVBAGLBSA-N 1 2 244.316 0.602 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000331274600 386994758 /nfs/dbraw/zinc/99/47/58/386994758.db2.gz BNUGSSIHZOLOAZ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000331274600 386994763 /nfs/dbraw/zinc/99/47/63/386994763.db2.gz BNUGSSIHZOLOAZ-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663173 386998951 /nfs/dbraw/zinc/99/89/51/386998951.db2.gz BYKQRIUZRNFXDL-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332663173 386998955 /nfs/dbraw/zinc/99/89/55/386998955.db2.gz BYKQRIUZRNFXDL-HTQZYQBOSA-N 1 2 226.280 0.246 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nc(C)no1 ZINC000332666195 386999046 /nfs/dbraw/zinc/99/90/46/386999046.db2.gz CUNFDRXCXDORDW-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nc(C)no1 ZINC000332666195 386999051 /nfs/dbraw/zinc/99/90/51/386999051.db2.gz CUNFDRXCXDORDW-VHSXEESVSA-N 1 2 241.291 0.614 20 0 BCADLO CC[C@@H](CSC)[N@H+](C)Cc1nnnn1C ZINC000358733906 387004958 /nfs/dbraw/zinc/00/49/58/387004958.db2.gz DIYZMIFZPCLNNE-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@@H](CSC)[N@@H+](C)Cc1nnnn1C ZINC000358733906 387004963 /nfs/dbraw/zinc/00/49/63/387004963.db2.gz DIYZMIFZPCLNNE-QMMMGPOBSA-N 1 2 229.353 0.784 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332737978 387006319 /nfs/dbraw/zinc/00/63/19/387006319.db2.gz XIQMYHUZIOTGBN-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332737978 387006324 /nfs/dbraw/zinc/00/63/24/387006324.db2.gz XIQMYHUZIOTGBN-SNVBAGLBSA-N 1 2 226.280 0.247 20 0 BCADLO CC[C@]1(O)CC[N@H+](Cc2noc(C)n2)C1 ZINC000332740645 387006863 /nfs/dbraw/zinc/00/68/63/387006863.db2.gz YZMDJLHNHALJLW-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO CC[C@]1(O)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332740645 387006866 /nfs/dbraw/zinc/00/68/66/387006866.db2.gz YZMDJLHNHALJLW-JTQLQIEISA-N 1 2 211.265 0.725 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369293238 387035021 /nfs/dbraw/zinc/03/50/21/387035021.db2.gz JUBWLKOQFDJQIW-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369293238 387035023 /nfs/dbraw/zinc/03/50/23/387035023.db2.gz JUBWLKOQFDJQIW-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccnc1 ZINC000070016525 387043661 /nfs/dbraw/zinc/04/36/61/387043661.db2.gz VWPNYJOFJSFGSQ-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccnc1 ZINC000070016525 387043665 /nfs/dbraw/zinc/04/36/65/387043665.db2.gz VWPNYJOFJSFGSQ-SNVBAGLBSA-N 1 2 242.344 0.947 20 0 BCADLO CC(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096641812 387046977 /nfs/dbraw/zinc/04/69/77/387046977.db2.gz IOIXHAUGEHCHSF-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C2)n1C ZINC000305261951 387053175 /nfs/dbraw/zinc/05/31/75/387053175.db2.gz SKNRQRIFZOEZRD-VIFPVBQESA-N 1 2 224.308 0.505 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C2)n1C ZINC000305261951 387053183 /nfs/dbraw/zinc/05/31/83/387053183.db2.gz SKNRQRIFZOEZRD-VIFPVBQESA-N 1 2 224.308 0.505 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000118534139 387058853 /nfs/dbraw/zinc/05/88/53/387058853.db2.gz LFPITYFQVHVRDD-HTQZYQBOSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000118534139 387058858 /nfs/dbraw/zinc/05/88/58/387058858.db2.gz LFPITYFQVHVRDD-HTQZYQBOSA-N 1 2 203.307 0.985 20 0 BCADLO O=C(CCCn1cccn1)NCc1c[nH+]c[nH]1 ZINC000359133093 387059220 /nfs/dbraw/zinc/05/92/20/387059220.db2.gz WSKCUSTZUVDWTM-UHFFFAOYSA-N 1 2 233.275 0.703 20 0 BCADLO O=C(CCCn1cccn1)NCc1c[nH]c[nH+]1 ZINC000359133093 387059223 /nfs/dbraw/zinc/05/92/23/387059223.db2.gz WSKCUSTZUVDWTM-UHFFFAOYSA-N 1 2 233.275 0.703 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nnc2n1CCCC2 ZINC000228074367 387065788 /nfs/dbraw/zinc/06/57/88/387065788.db2.gz CKVIYHKXHTZZTD-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nnc2n1CCCC2 ZINC000228074367 387065792 /nfs/dbraw/zinc/06/57/92/387065792.db2.gz CKVIYHKXHTZZTD-UHFFFAOYSA-N 1 2 238.335 0.817 20 0 BCADLO COC[C@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000526116500 387016254 /nfs/dbraw/zinc/01/62/54/387016254.db2.gz NYDPQSBADPJWMY-MRVPVSSYSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000526116500 387016258 /nfs/dbraw/zinc/01/62/58/387016258.db2.gz NYDPQSBADPJWMY-MRVPVSSYSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000526116500 387016260 /nfs/dbraw/zinc/01/62/60/387016260.db2.gz NYDPQSBADPJWMY-MRVPVSSYSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000526116500 387016263 /nfs/dbraw/zinc/01/62/63/387016263.db2.gz NYDPQSBADPJWMY-MRVPVSSYSA-N 1 2 226.280 0.082 20 0 BCADLO COc1ncncc1CN(C)Cc1[nH+]ccn1C ZINC000648021699 387016528 /nfs/dbraw/zinc/01/65/28/387016528.db2.gz GXMVSCNITKJWOG-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C2CC2)C1 ZINC000368886351 387017773 /nfs/dbraw/zinc/01/77/73/387017773.db2.gz BPNQVXGQNCIVGG-GFCCVEGCSA-N 1 2 249.314 0.911 20 0 BCADLO Cc1cn(C)nc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000333115037 387019154 /nfs/dbraw/zinc/01/91/54/387019154.db2.gz HDSGQTXCDDEDOV-UHFFFAOYSA-N 1 2 236.319 0.551 20 0 BCADLO CCCCOCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358831680 387021198 /nfs/dbraw/zinc/02/11/98/387021198.db2.gz QCKYPLQXZOGUND-JTQLQIEISA-N 1 2 246.376 0.706 20 0 BCADLO CCCCOCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358831680 387021201 /nfs/dbraw/zinc/02/12/01/387021201.db2.gz QCKYPLQXZOGUND-JTQLQIEISA-N 1 2 246.376 0.706 20 0 BCADLO C[C@H](C(=O)NCC(N)=O)[NH+]1CCSCC1 ZINC000330518890 387026449 /nfs/dbraw/zinc/02/64/49/387026449.db2.gz OZPFGUHNWCXSAN-SSDOTTSWSA-N 1 2 231.321 0.075 20 0 BCADLO COCC[NH+](CCOC)Cc1snnc1C ZINC000514650016 387027868 /nfs/dbraw/zinc/02/78/68/387027868.db2.gz ZAACJBLIRRGDRN-UHFFFAOYSA-N 1 2 245.348 0.941 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334981803 387070502 /nfs/dbraw/zinc/07/05/02/387070502.db2.gz VWNVZDBQTSLIIO-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334981803 387070506 /nfs/dbraw/zinc/07/05/06/387070506.db2.gz VWNVZDBQTSLIIO-JTQLQIEISA-N 1 2 212.293 0.185 20 0 BCADLO Cc1nc(N2CCCC2)nc(N(C)C)[nH+]1 ZINC000359226575 387070971 /nfs/dbraw/zinc/07/09/71/387070971.db2.gz HCUQQXOJCBJXNU-UHFFFAOYSA-N 1 2 207.281 0.846 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCCC2)[nH+]1 ZINC000359226575 387070975 /nfs/dbraw/zinc/07/09/75/387070975.db2.gz HCUQQXOJCBJXNU-UHFFFAOYSA-N 1 2 207.281 0.846 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000336236703 387072768 /nfs/dbraw/zinc/07/27/68/387072768.db2.gz URSRPOLFHGOUDV-MRVPVSSYSA-N 1 2 237.303 0.654 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000336236703 387072774 /nfs/dbraw/zinc/07/27/74/387072774.db2.gz URSRPOLFHGOUDV-MRVPVSSYSA-N 1 2 237.303 0.654 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(C)=O ZINC000246356850 387078333 /nfs/dbraw/zinc/07/83/33/387078333.db2.gz MZCCHTGMEKKMML-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(C)=O ZINC000246356850 387078337 /nfs/dbraw/zinc/07/83/37/387078337.db2.gz MZCCHTGMEKKMML-ZJUUUORDSA-N 1 2 229.276 0.228 20 0 BCADLO CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066404326 387083284 /nfs/dbraw/zinc/08/32/84/387083284.db2.gz HNMYXDVZNSBDNQ-GHMZBOCLSA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000066565095 387087249 /nfs/dbraw/zinc/08/72/49/387087249.db2.gz INBHLLBKPSRKHH-UHFFFAOYSA-N 1 2 238.335 0.719 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000066565095 387087251 /nfs/dbraw/zinc/08/72/51/387087251.db2.gz INBHLLBKPSRKHH-UHFFFAOYSA-N 1 2 238.335 0.719 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000359598762 387131391 /nfs/dbraw/zinc/13/13/91/387131391.db2.gz PDJWLSMRQITDHM-NSHDSACASA-N 1 2 235.287 0.719 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000359598762 387131397 /nfs/dbraw/zinc/13/13/97/387131397.db2.gz PDJWLSMRQITDHM-NSHDSACASA-N 1 2 235.287 0.719 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cncc(C(N)=O)n1 ZINC000359454855 387103951 /nfs/dbraw/zinc/10/39/51/387103951.db2.gz KHZDRVPQHQUDOX-QMMMGPOBSA-N 1 2 246.274 0.273 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186625184 387116935 /nfs/dbraw/zinc/11/69/35/387116935.db2.gz QUVWNSKVXMBHJH-GFCCVEGCSA-N 1 2 240.303 0.294 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186625184 387116938 /nfs/dbraw/zinc/11/69/38/387116938.db2.gz QUVWNSKVXMBHJH-GFCCVEGCSA-N 1 2 240.303 0.294 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000127460464 387118218 /nfs/dbraw/zinc/11/82/18/387118218.db2.gz DMDPWDAVZRMGAF-PWSUYJOCSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000127460464 387118224 /nfs/dbraw/zinc/11/82/24/387118224.db2.gz DMDPWDAVZRMGAF-PWSUYJOCSA-N 1 2 241.287 0.660 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186651922 387119668 /nfs/dbraw/zinc/11/96/68/387119668.db2.gz IZNFYCCFWPHRKG-LBPRGKRZSA-N 1 2 240.303 0.293 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186651922 387119673 /nfs/dbraw/zinc/11/96/73/387119673.db2.gz IZNFYCCFWPHRKG-LBPRGKRZSA-N 1 2 240.303 0.293 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC000187049541 387152629 /nfs/dbraw/zinc/15/26/29/387152629.db2.gz BZOVFMXUGKGBHZ-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC000187049541 387152633 /nfs/dbraw/zinc/15/26/33/387152633.db2.gz BZOVFMXUGKGBHZ-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cccnc1 ZINC000186954854 387156726 /nfs/dbraw/zinc/15/67/26/387156726.db2.gz WCRWFYPCDCCGRG-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cccnc1 ZINC000186954854 387156732 /nfs/dbraw/zinc/15/67/32/387156732.db2.gz WCRWFYPCDCCGRG-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO Cc1nc(N(C)C2CC(O)C2)nc(N(C)C)[nH+]1 ZINC000353276518 387170960 /nfs/dbraw/zinc/17/09/60/387170960.db2.gz LZPUYFJAYWMWFI-UHFFFAOYSA-N 1 2 237.307 0.206 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)C2CC(O)C2)[nH+]1 ZINC000353276518 387170963 /nfs/dbraw/zinc/17/09/63/387170963.db2.gz LZPUYFJAYWMWFI-UHFFFAOYSA-N 1 2 237.307 0.206 20 0 BCADLO COC[C@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000571845614 387175371 /nfs/dbraw/zinc/17/53/71/387175371.db2.gz IAOLNFFCJSTZPS-LLVKDONJSA-N 1 2 237.303 0.945 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000290031360 387176959 /nfs/dbraw/zinc/17/69/59/387176959.db2.gz BVZZQNOANRNTFL-UWVGGRQHSA-N 1 2 228.317 0.955 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000336356492 387184936 /nfs/dbraw/zinc/18/49/36/387184936.db2.gz DKMWPSCYFMSTHF-RYUDHWBXSA-N 1 2 239.363 0.633 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000352422964 387189378 /nfs/dbraw/zinc/18/93/78/387189378.db2.gz VWANCNQMNGJMPW-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc(C)nc1 ZINC000352422964 387189384 /nfs/dbraw/zinc/18/93/84/387189384.db2.gz VWANCNQMNGJMPW-UHFFFAOYSA-N 1 2 208.265 0.092 20 0 BCADLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000336305344 387134363 /nfs/dbraw/zinc/13/43/63/387134363.db2.gz ULGDXNOLMMEVAG-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000336305344 387134367 /nfs/dbraw/zinc/13/43/67/387134367.db2.gz ULGDXNOLMMEVAG-VIFPVBQESA-N 1 2 212.293 0.376 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nccn1CC ZINC000231843170 387136085 /nfs/dbraw/zinc/13/60/85/387136085.db2.gz BJIUTPJPZMDNPI-JTQLQIEISA-N 1 2 238.335 0.859 20 0 BCADLO COCC[N@@H+](Cc1nnn(C)n1)CC(C)C ZINC000193296477 387192164 /nfs/dbraw/zinc/19/21/64/387192164.db2.gz FBHVVDNUOBEKBL-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO COCC[N@H+](Cc1nnn(C)n1)CC(C)C ZINC000193296477 387192168 /nfs/dbraw/zinc/19/21/68/387192168.db2.gz FBHVVDNUOBEKBL-UHFFFAOYSA-N 1 2 227.312 0.315 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)C1CCOCC1)C2 ZINC000370744042 387139022 /nfs/dbraw/zinc/13/90/22/387139022.db2.gz AEMXRNMBBIRMRK-UHFFFAOYSA-N 1 2 249.314 0.731 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000336315455 387141111 /nfs/dbraw/zinc/14/11/11/387141111.db2.gz IYADARIMNNMBAE-UWVGGRQHSA-N 1 2 237.303 0.587 20 0 BCADLO COCCCC[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000091829218 387209232 /nfs/dbraw/zinc/20/92/32/387209232.db2.gz USPDPOHGCNYPHI-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO COCCCC[N@H+]1CCN(CCOC)C(=O)C1 ZINC000091829218 387209236 /nfs/dbraw/zinc/20/92/36/387209236.db2.gz USPDPOHGCNYPHI-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000353479154 387209340 /nfs/dbraw/zinc/20/93/40/387209340.db2.gz QSTAPTZQEAINCA-LLVKDONJSA-N 1 2 225.292 0.775 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1C ZINC000064556621 387221409 /nfs/dbraw/zinc/22/14/09/387221409.db2.gz KIYSPBCERQUQQZ-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCOCC2(CC2)C1 ZINC000360086409 387225665 /nfs/dbraw/zinc/22/56/65/387225665.db2.gz CVGSFIYCONTETO-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCOCC2(CC2)C1 ZINC000360086409 387225668 /nfs/dbraw/zinc/22/56/68/387225668.db2.gz CVGSFIYCONTETO-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000230010971 387226958 /nfs/dbraw/zinc/22/69/58/387226958.db2.gz XBUZZLLNPQAQMD-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000230010971 387226960 /nfs/dbraw/zinc/22/69/60/387226960.db2.gz XBUZZLLNPQAQMD-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[N@H+](Cc1nnc2n1CCCC2)[C@H]1CCOC1 ZINC000371591344 387231067 /nfs/dbraw/zinc/23/10/67/387231067.db2.gz TVWRBYXCPGTGAM-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO C[N@@H+](Cc1nnc2n1CCCC2)[C@H]1CCOC1 ZINC000371591344 387231072 /nfs/dbraw/zinc/23/10/72/387231072.db2.gz TVWRBYXCPGTGAM-JTQLQIEISA-N 1 2 236.319 0.835 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)C1(C)COC1)CC2 ZINC000371703895 387242162 /nfs/dbraw/zinc/24/21/62/387242162.db2.gz QPYRVTJSDIEKBZ-UHFFFAOYSA-N 1 2 235.287 0.570 20 0 BCADLO COC[C@@H](C)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360200631 387243503 /nfs/dbraw/zinc/24/35/03/387243503.db2.gz XTWVIVFXVRQTGJ-NXEZZACHSA-N 1 2 239.319 0.987 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791554 387195605 /nfs/dbraw/zinc/19/56/05/387195605.db2.gz NSRKBUFDKGSKNA-MNOVXSKESA-N 1 2 242.319 0.539 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000229791554 387195609 /nfs/dbraw/zinc/19/56/09/387195609.db2.gz NSRKBUFDKGSKNA-MNOVXSKESA-N 1 2 242.319 0.539 20 0 BCADLO Cc1ccc(CS(=O)(=O)[C@H](C)CO)c(C)[nH+]1 ZINC000187432078 387196241 /nfs/dbraw/zinc/19/62/41/387196241.db2.gz GTNTXXURRDMVGS-SECBINFHSA-N 1 2 243.328 0.994 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnn(C)c1 ZINC000572301676 387310912 /nfs/dbraw/zinc/31/09/12/387310912.db2.gz LVODTTGSABVMHY-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cnn(C)c1 ZINC000572301676 387310917 /nfs/dbraw/zinc/31/09/17/387310917.db2.gz LVODTTGSABVMHY-SECBINFHSA-N 1 2 247.302 0.638 20 0 BCADLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000360578244 387311101 /nfs/dbraw/zinc/31/11/01/387311101.db2.gz CVYCQHCOLNXMLX-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO CCONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372607995 387314103 /nfs/dbraw/zinc/31/41/03/387314103.db2.gz QJFBQAIBALMPML-MRVPVSSYSA-N 1 2 209.249 0.513 20 0 BCADLO COC[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000354020909 387314269 /nfs/dbraw/zinc/31/42/69/387314269.db2.gz AENFTXQZNKKCNY-LLVKDONJSA-N 1 2 237.303 0.600 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372598750 387314742 /nfs/dbraw/zinc/31/47/42/387314742.db2.gz HDIIFEDLKYVKFL-SNVBAGLBSA-N 1 2 240.303 0.150 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372598750 387314748 /nfs/dbraw/zinc/31/47/48/387314748.db2.gz HDIIFEDLKYVKFL-SNVBAGLBSA-N 1 2 240.303 0.150 20 0 BCADLO COCC1(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000514963633 387316300 /nfs/dbraw/zinc/31/63/00/387316300.db2.gz STYMMKGIXHGJML-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000336489548 387316389 /nfs/dbraw/zinc/31/63/89/387316389.db2.gz FZHVFBINIIUPOU-UHFFFAOYSA-N 1 2 234.303 0.673 20 0 BCADLO O=C(Nc1cnns1)[C@H]1CCn2cc[nH+]c2C1 ZINC000188183484 387257405 /nfs/dbraw/zinc/25/74/05/387257405.db2.gz WXNMGSYNMWVHLO-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000230351059 387264046 /nfs/dbraw/zinc/26/40/46/387264046.db2.gz RLEGHQRIDMEXHC-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000230351059 387264055 /nfs/dbraw/zinc/26/40/55/387264055.db2.gz RLEGHQRIDMEXHC-VIFPVBQESA-N 1 2 238.291 0.200 20 0 BCADLO CO[C@@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000360594702 387317261 /nfs/dbraw/zinc/31/72/61/387317261.db2.gz JAFPLYDCTPIRIB-QMMMGPOBSA-N 1 2 224.260 0.963 20 0 BCADLO C[C@@H](CNC(=O)C[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000352505414 387267753 /nfs/dbraw/zinc/26/77/53/387267753.db2.gz BJPXQUYXGUWYQK-WOPDTQHZSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(F)C1 ZINC000336444866 387272494 /nfs/dbraw/zinc/27/24/94/387272494.db2.gz AWQDIQAXRHYPKT-MRVPVSSYSA-N 1 2 226.255 0.635 20 0 BCADLO CCc1cc(N2C[C@H](O)C[C@@H]2CO)nc(C)[nH+]1 ZINC000355542807 387275951 /nfs/dbraw/zinc/27/59/51/387275951.db2.gz FNMDSNCADBXTFH-GHMZBOCLSA-N 1 2 237.303 0.279 20 0 BCADLO COC[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354037957 387317830 /nfs/dbraw/zinc/31/78/30/387317830.db2.gz INIYCDXKAVCHGL-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372260275 387286933 /nfs/dbraw/zinc/28/69/33/387286933.db2.gz HMTAKSALNHNYMY-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372260275 387286937 /nfs/dbraw/zinc/28/69/37/387286937.db2.gz HMTAKSALNHNYMY-NSHDSACASA-N 1 2 247.360 0.532 20 0 BCADLO Cc1nnc2n1CC[N@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000372254893 387287730 /nfs/dbraw/zinc/28/77/30/387287730.db2.gz ISEXYXDSDQHQAT-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nnc2n1CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000372254893 387287734 /nfs/dbraw/zinc/28/77/34/387287734.db2.gz ISEXYXDSDQHQAT-WDEREUQCSA-N 1 2 236.319 0.706 20 0 BCADLO COc1c(N)[nH+]cnc1N1C[C@@H](F)[C@@H](F)C1 ZINC000572257419 387288105 /nfs/dbraw/zinc/28/81/05/387288105.db2.gz PQODALWYUMHNTD-OLQVQODUSA-N 1 2 230.218 0.564 20 0 BCADLO COc1c(N)nc[nH+]c1N1C[C@@H](F)[C@@H](F)C1 ZINC000572257419 387288112 /nfs/dbraw/zinc/28/81/12/387288112.db2.gz PQODALWYUMHNTD-OLQVQODUSA-N 1 2 230.218 0.564 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCCc1ccncc1 ZINC000360468695 387292300 /nfs/dbraw/zinc/29/23/00/387292300.db2.gz NBEVWNWVIRBYSN-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCCc1ccncc1 ZINC000360468695 387292306 /nfs/dbraw/zinc/29/23/06/387292306.db2.gz NBEVWNWVIRBYSN-UHFFFAOYSA-N 1 2 246.318 0.670 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000372350290 387293825 /nfs/dbraw/zinc/29/38/25/387293825.db2.gz WOMCTECKJQQPRC-KOLCDFICSA-N 1 2 235.287 0.558 20 0 BCADLO Cn1nccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000360525275 387304444 /nfs/dbraw/zinc/30/44/44/387304444.db2.gz NOPFKEYANINFJG-UHFFFAOYSA-N 1 2 220.236 0.465 20 0 BCADLO CCC[C@@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360836541 387356765 /nfs/dbraw/zinc/35/67/65/387356765.db2.gz XCLHURXEMNHLEZ-HTQZYQBOSA-N 1 2 236.262 0.261 20 0 BCADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287061102 387357661 /nfs/dbraw/zinc/35/76/61/387357661.db2.gz AUWMHUUSMAJUAV-BDAKNGLRSA-N 1 2 239.323 0.208 20 0 BCADLO C[C@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CO1 ZINC000526131679 387359578 /nfs/dbraw/zinc/35/95/78/387359578.db2.gz BAKQNHPUPUGERN-UWVGGRQHSA-N 1 2 235.287 0.691 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCC(F)F ZINC000354333573 387361435 /nfs/dbraw/zinc/36/14/35/387361435.db2.gz WBSGMHCHZJRDII-UHFFFAOYSA-N 1 2 203.192 0.724 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccncc1F ZINC000648587550 387361695 /nfs/dbraw/zinc/36/16/95/387361695.db2.gz DUQBHIUZKVAPBM-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccncc1F ZINC000648587550 387361699 /nfs/dbraw/zinc/36/16/99/387361699.db2.gz DUQBHIUZKVAPBM-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO COC(=O)[C@@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000354331826 387362561 /nfs/dbraw/zinc/36/25/61/387362561.db2.gz SMURBSWXOOIQFW-QMMMGPOBSA-N 1 2 236.271 0.950 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000360965182 387374477 /nfs/dbraw/zinc/37/44/77/387374477.db2.gz CHLSUDJJHRMADU-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000360965182 387374482 /nfs/dbraw/zinc/37/44/82/387374482.db2.gz CHLSUDJJHRMADU-PSLIRLAXSA-N 1 2 233.333 0.392 20 0 BCADLO CO[C@@H](C)C[N@H+](Cc1nnnn1C)C(C)C ZINC000354472851 387380194 /nfs/dbraw/zinc/38/01/94/387380194.db2.gz YTXGTICJIDKYOR-VIFPVBQESA-N 1 2 227.312 0.455 20 0 BCADLO CO[C@@H](C)C[N@@H+](Cc1nnnn1C)C(C)C ZINC000354472851 387380199 /nfs/dbraw/zinc/38/01/99/387380199.db2.gz YTXGTICJIDKYOR-VIFPVBQESA-N 1 2 227.312 0.455 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000373643541 387384955 /nfs/dbraw/zinc/38/49/55/387384955.db2.gz IDEARLZXSBZFFF-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000373643541 387384961 /nfs/dbraw/zinc/38/49/61/387384961.db2.gz IDEARLZXSBZFFF-GFCCVEGCSA-N 1 2 237.303 0.632 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CCOC1 ZINC000336558233 387381884 /nfs/dbraw/zinc/38/18/84/387381884.db2.gz GMHRTXUFEMVCGB-LBPRGKRZSA-N 1 2 237.303 0.805 20 0 BCADLO CC(C)(O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372847003 387330836 /nfs/dbraw/zinc/33/08/36/387330836.db2.gz BLFBEZHBXJFFKU-UHFFFAOYSA-N 1 2 237.303 0.887 20 0 BCADLO CC(C)(O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372847003 387330840 /nfs/dbraw/zinc/33/08/40/387330840.db2.gz BLFBEZHBXJFFKU-UHFFFAOYSA-N 1 2 237.303 0.887 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)COC(F)F ZINC000354110667 387332507 /nfs/dbraw/zinc/33/25/07/387332507.db2.gz QIMSVUWBOMMMIW-UHFFFAOYSA-N 1 2 247.245 0.971 20 0 BCADLO COC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000572338551 387332906 /nfs/dbraw/zinc/33/29/06/387332906.db2.gz TVRFUSJZCAXSDF-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H](C2CC2)C1 ZINC000373588142 387382998 /nfs/dbraw/zinc/38/29/98/387382998.db2.gz JWFOQTUWICAMAE-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000373588142 387383006 /nfs/dbraw/zinc/38/30/06/387383006.db2.gz JWFOQTUWICAMAE-GFCCVEGCSA-N 1 2 249.314 0.980 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000515123568 387338033 /nfs/dbraw/zinc/33/80/33/387338033.db2.gz FHYMHOKIYBMLOO-SECBINFHSA-N 1 2 248.330 0.620 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000515123568 387338037 /nfs/dbraw/zinc/33/80/37/387338037.db2.gz FHYMHOKIYBMLOO-SECBINFHSA-N 1 2 248.330 0.620 20 0 BCADLO CN(CC(N)=O)Cc1cn2c([nH+]1)CCCC2 ZINC000372992720 387339094 /nfs/dbraw/zinc/33/90/94/387339094.db2.gz YLMILOFDHLVWKB-UHFFFAOYSA-N 1 2 222.292 0.137 20 0 BCADLO Cn1ccnc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000372971608 387339540 /nfs/dbraw/zinc/33/95/40/387339540.db2.gz DBFYEELUXJDXFC-LLVKDONJSA-N 1 2 248.330 0.836 20 0 BCADLO Cn1ccnc1[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000372971608 387339551 /nfs/dbraw/zinc/33/95/51/387339551.db2.gz DBFYEELUXJDXFC-LLVKDONJSA-N 1 2 248.330 0.836 20 0 BCADLO Cn1cc[nH+]c1[C@H]1CCCN1CC(=O)NC1CC1 ZINC000372971608 387339553 /nfs/dbraw/zinc/33/95/53/387339553.db2.gz DBFYEELUXJDXFC-LLVKDONJSA-N 1 2 248.330 0.836 20 0 BCADLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)N1CCCC1 ZINC000336516747 387341356 /nfs/dbraw/zinc/34/13/56/387341356.db2.gz MJKNMMSBXXACDP-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)N1CCCC1 ZINC000336516747 387341357 /nfs/dbraw/zinc/34/13/57/387341357.db2.gz MJKNMMSBXXACDP-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO CO[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000423862889 387439152 /nfs/dbraw/zinc/43/91/52/387439152.db2.gz GUYHXEYDHHRWLW-HLTSFMKQSA-N 1 2 248.273 0.667 20 0 BCADLO O=C(COC(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000354886557 387441687 /nfs/dbraw/zinc/44/16/87/387441687.db2.gz YOMNOHZPYFQXDU-ZETCQYMHSA-N 1 2 245.229 0.553 20 0 BCADLO Cc1noc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000515921648 387442337 /nfs/dbraw/zinc/44/23/37/387442337.db2.gz HNWICVFXYBUDPK-QMMMGPOBSA-N 1 2 209.249 0.335 20 0 BCADLO Cc1noc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000515921648 387442344 /nfs/dbraw/zinc/44/23/44/387442344.db2.gz HNWICVFXYBUDPK-QMMMGPOBSA-N 1 2 209.249 0.335 20 0 BCADLO CCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000121964938 387442851 /nfs/dbraw/zinc/44/28/51/387442851.db2.gz PQOIDZNHCKKSLG-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000374366706 387446001 /nfs/dbraw/zinc/44/60/01/387446001.db2.gz OQRFMQGEIIREKV-JTQLQIEISA-N 1 2 239.323 0.722 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000374366706 387446005 /nfs/dbraw/zinc/44/60/05/387446005.db2.gz OQRFMQGEIIREKV-JTQLQIEISA-N 1 2 239.323 0.722 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000361356138 387448022 /nfs/dbraw/zinc/44/80/22/387448022.db2.gz LBOPTWSZLWPCHW-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000361356138 387448026 /nfs/dbraw/zinc/44/80/26/387448026.db2.gz LBOPTWSZLWPCHW-SSDOTTSWSA-N 1 2 242.304 0.197 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000373643542 387385766 /nfs/dbraw/zinc/38/57/66/387385766.db2.gz IDEARLZXSBZFFF-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000373643542 387385773 /nfs/dbraw/zinc/38/57/73/387385773.db2.gz IDEARLZXSBZFFF-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO O=C1NC[C@]2(CCC[N@H+](Cc3cc[nH]n3)C2)O1 ZINC000373635364 387386139 /nfs/dbraw/zinc/38/61/39/387386139.db2.gz BWMDJLYRNHDNTO-NSHDSACASA-N 1 2 236.275 0.484 20 0 BCADLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)O1 ZINC000373635364 387386142 /nfs/dbraw/zinc/38/61/42/387386142.db2.gz BWMDJLYRNHDNTO-NSHDSACASA-N 1 2 236.275 0.484 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1c1nnc[nH]1 ZINC000361018789 387390475 /nfs/dbraw/zinc/39/04/75/387390475.db2.gz PKKFAESOQCKPPS-BDAKNGLRSA-N 1 2 243.270 0.672 20 0 BCADLO COC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373803932 387396416 /nfs/dbraw/zinc/39/64/16/387396416.db2.gz FUCXBDVIBAFCJA-GFCCVEGCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373803932 387396419 /nfs/dbraw/zinc/39/64/19/387396419.db2.gz FUCXBDVIBAFCJA-GFCCVEGCSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000373912443 387403079 /nfs/dbraw/zinc/40/30/79/387403079.db2.gz UYHKPXUJCPATFC-NSHDSACASA-N 1 2 223.276 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000373912443 387403084 /nfs/dbraw/zinc/40/30/84/387403084.db2.gz UYHKPXUJCPATFC-NSHDSACASA-N 1 2 223.276 0.725 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373936973 387405482 /nfs/dbraw/zinc/40/54/82/387405482.db2.gz XKAXCTWCRLWSBK-CMPLNLGQSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373936973 387405485 /nfs/dbraw/zinc/40/54/85/387405485.db2.gz XKAXCTWCRLWSBK-CMPLNLGQSA-N 1 2 247.298 0.972 20 0 BCADLO C(CN1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCOCC1 ZINC000374064671 387416121 /nfs/dbraw/zinc/41/61/21/387416121.db2.gz FUPIBODSNAMGFI-BETUJISGSA-N 1 2 240.347 0.572 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000354732059 387423309 /nfs/dbraw/zinc/42/33/09/387423309.db2.gz BMAMWWJPMSNAQO-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO Cc1cc[nH]c(=O)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000354732059 387423314 /nfs/dbraw/zinc/42/33/14/387423314.db2.gz BMAMWWJPMSNAQO-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352803919 387494289 /nfs/dbraw/zinc/49/42/89/387494289.db2.gz OVZNWDGYXQZTGB-AXFHLTTASA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352803919 387494293 /nfs/dbraw/zinc/49/42/93/387494293.db2.gz OVZNWDGYXQZTGB-AXFHLTTASA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352803921 387494716 /nfs/dbraw/zinc/49/47/16/387494716.db2.gz OVZNWDGYXQZTGB-DCAQKATOSA-N 1 2 245.319 0.266 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352803921 387494721 /nfs/dbraw/zinc/49/47/21/387494721.db2.gz OVZNWDGYXQZTGB-DCAQKATOSA-N 1 2 245.319 0.266 20 0 BCADLO CCOc1cccc(C[N@H+](C)[C@H]2CCNC2=O)n1 ZINC000355186172 387495243 /nfs/dbraw/zinc/49/52/43/387495243.db2.gz JQZRJVHBKRUZFU-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO CCOc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000355186172 387495249 /nfs/dbraw/zinc/49/52/49/387495249.db2.gz JQZRJVHBKRUZFU-NSHDSACASA-N 1 2 249.314 0.801 20 0 BCADLO C[N@H+](Cc1cccc2c1OCO2)[C@H]1CCNC1=O ZINC000355188142 387495521 /nfs/dbraw/zinc/49/55/21/387495521.db2.gz AXYVNFOLSZTRML-JTQLQIEISA-N 1 2 248.282 0.736 20 0 BCADLO C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CCNC1=O ZINC000355188142 387495536 /nfs/dbraw/zinc/49/55/36/387495536.db2.gz AXYVNFOLSZTRML-JTQLQIEISA-N 1 2 248.282 0.736 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000516295667 387497004 /nfs/dbraw/zinc/49/70/04/387497004.db2.gz XEUKBOBFJQLBNU-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000516295667 387497007 /nfs/dbraw/zinc/49/70/07/387497007.db2.gz XEUKBOBFJQLBNU-MNOVXSKESA-N 1 2 238.331 0.908 20 0 BCADLO COC(=O)CC1([NH2+]Cc2ccon2)CC1 ZINC000516298105 387498047 /nfs/dbraw/zinc/49/80/47/387498047.db2.gz ZTTIDHSLPSGXHL-UHFFFAOYSA-N 1 2 210.233 0.860 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396843463 387501722 /nfs/dbraw/zinc/50/17/22/387501722.db2.gz IWYIVGMIIAXEKX-HTQZYQBOSA-N 1 2 201.266 0.705 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000648686283 387503263 /nfs/dbraw/zinc/50/32/63/387503263.db2.gz DTIVAJOLAQVYSX-SNVBAGLBSA-N 1 2 247.298 0.756 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000648686283 387503268 /nfs/dbraw/zinc/50/32/68/387503268.db2.gz DTIVAJOLAQVYSX-SNVBAGLBSA-N 1 2 247.298 0.756 20 0 BCADLO Cc1ccncc1C1=CC[N@H+](CC(N)=O)CC1 ZINC000375006898 387505382 /nfs/dbraw/zinc/50/53/82/387505382.db2.gz WTUAPGUVYNNODO-UHFFFAOYSA-N 1 2 231.299 0.964 20 0 BCADLO Cc1ccncc1C1=CC[N@@H+](CC(N)=O)CC1 ZINC000375006898 387505385 /nfs/dbraw/zinc/50/53/85/387505385.db2.gz WTUAPGUVYNNODO-UHFFFAOYSA-N 1 2 231.299 0.964 20 0 BCADLO CO[C@H]([C@H](C)NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000521449140 387506006 /nfs/dbraw/zinc/50/60/06/387506006.db2.gz ZRQQILPDJVFZFM-JOYOIKCWSA-N 1 2 237.303 0.813 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352818860 387514377 /nfs/dbraw/zinc/51/43/77/387514377.db2.gz VDBQTGUPENCHEN-VWYCJHECSA-N 1 2 245.319 0.410 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352818860 387514381 /nfs/dbraw/zinc/51/43/81/387514381.db2.gz VDBQTGUPENCHEN-VWYCJHECSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000361639264 387515651 /nfs/dbraw/zinc/51/56/51/387515651.db2.gz NYLHGKFZSGKAJC-UWVGGRQHSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000361639264 387515652 /nfs/dbraw/zinc/51/56/52/387515652.db2.gz NYLHGKFZSGKAJC-UWVGGRQHSA-N 1 2 247.335 0.656 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCCN1CCOCC1 ZINC000361641232 387516666 /nfs/dbraw/zinc/51/66/66/387516666.db2.gz XWKOCIWPONSKHW-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCCN1CCOCC1 ZINC000361641232 387516670 /nfs/dbraw/zinc/51/66/70/387516670.db2.gz XWKOCIWPONSKHW-LLVKDONJSA-N 1 2 244.335 0.202 20 0 BCADLO C[N@H+](Cc1ccncc1Cl)[C@H]1COC[C@@H]1O ZINC000352820541 387516878 /nfs/dbraw/zinc/51/68/78/387516878.db2.gz YZKHFUKHPDLRFA-QWRGUYRKSA-N 1 2 242.706 0.927 20 0 BCADLO C[N@@H+](Cc1ccncc1Cl)[C@H]1COC[C@@H]1O ZINC000352820541 387516879 /nfs/dbraw/zinc/51/68/79/387516879.db2.gz YZKHFUKHPDLRFA-QWRGUYRKSA-N 1 2 242.706 0.927 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000516521634 387518009 /nfs/dbraw/zinc/51/80/09/387518009.db2.gz SJXGAPFNCGRVBO-SECBINFHSA-N 1 2 233.275 0.494 20 0 BCADLO CCc1nc(N2C[C@@H](O)[C@H](OC)C2)cc(C)[nH+]1 ZINC000395967037 387519142 /nfs/dbraw/zinc/51/91/42/387519142.db2.gz MVEBQDULBVRAHE-NXEZZACHSA-N 1 2 237.303 0.543 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000527235572 387543886 /nfs/dbraw/zinc/54/38/86/387543886.db2.gz VCGWLNPEPSQHKA-VIFPVBQESA-N 1 2 235.324 0.998 20 0 BCADLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000527235572 387543890 /nfs/dbraw/zinc/54/38/90/387543890.db2.gz VCGWLNPEPSQHKA-VIFPVBQESA-N 1 2 235.324 0.998 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000375316117 387526101 /nfs/dbraw/zinc/52/61/01/387526101.db2.gz VYSURIWSTHGIDY-BDAKNGLRSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000375316117 387526106 /nfs/dbraw/zinc/52/61/06/387526106.db2.gz VYSURIWSTHGIDY-BDAKNGLRSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000375316118 387527294 /nfs/dbraw/zinc/52/72/94/387527294.db2.gz VYSURIWSTHGIDY-DTWKUNHWSA-N 1 2 243.332 0.930 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000375316118 387527298 /nfs/dbraw/zinc/52/72/98/387527298.db2.gz VYSURIWSTHGIDY-DTWKUNHWSA-N 1 2 243.332 0.930 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375334496 387529871 /nfs/dbraw/zinc/52/98/71/387529871.db2.gz SQNVRTYXODPBCC-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375334496 387529876 /nfs/dbraw/zinc/52/98/76/387529876.db2.gz SQNVRTYXODPBCC-NXEZZACHSA-N 1 2 238.291 0.477 20 0 BCADLO CN(C)c1noc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000192742856 387530891 /nfs/dbraw/zinc/53/08/91/387530891.db2.gz QIYVIGLUSBHUIP-UHFFFAOYSA-N 1 2 240.307 0.482 20 0 BCADLO CC[C@@H](NC(=O)c1cn(C)nn1)c1[nH]cc[nH+]1 ZINC000310087664 387534478 /nfs/dbraw/zinc/53/44/78/387534478.db2.gz BOJPGFQNDLLQPL-SSDOTTSWSA-N 1 2 234.263 0.419 20 0 BCADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@@H]1O ZINC000192810714 387538780 /nfs/dbraw/zinc/53/87/80/387538780.db2.gz HOGJWPMAHQCEKW-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)CC[C@@H]1O ZINC000192810714 387538785 /nfs/dbraw/zinc/53/87/85/387538785.db2.gz HOGJWPMAHQCEKW-IUCAKERBSA-N 1 2 240.307 0.338 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1CCO ZINC000310618788 387538940 /nfs/dbraw/zinc/53/89/40/387538940.db2.gz GEHRPHOLCLONQB-VIFPVBQESA-N 1 2 247.302 0.715 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000084679343 387463228 /nfs/dbraw/zinc/46/32/28/387463228.db2.gz GDNNMGPBJGOZJF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000084679343 387463232 /nfs/dbraw/zinc/46/32/32/387463232.db2.gz GDNNMGPBJGOZJF-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000352731519 387464633 /nfs/dbraw/zinc/46/46/33/387464633.db2.gz JHVZDYKUEQCPNG-VIFPVBQESA-N 1 2 211.265 0.085 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1OCC[C@H]1C)CC2 ZINC000374660459 387477603 /nfs/dbraw/zinc/47/76/03/387477603.db2.gz GHAYZJKZQRJOGC-BXKDBHETSA-N 1 2 249.314 0.959 20 0 BCADLO COC1(C)CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000361521650 387479481 /nfs/dbraw/zinc/47/94/81/387479481.db2.gz GQZVWAPWEKVUOE-SECBINFHSA-N 1 2 239.323 0.772 20 0 BCADLO COC(=O)[C@@H](CC(F)F)NCc1[nH+]ccn1C ZINC000355092866 387480054 /nfs/dbraw/zinc/48/00/54/387480054.db2.gz CEQIVGIGOUEIEG-SSDOTTSWSA-N 1 2 247.245 0.707 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374699419 387483342 /nfs/dbraw/zinc/48/33/42/387483342.db2.gz LLAXEERDTGJVLM-MNOVXSKESA-N 1 2 249.314 0.959 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000355127124 387483484 /nfs/dbraw/zinc/48/34/84/387483484.db2.gz SFXHZARHQZFYMJ-ONGXEEELSA-N 1 2 245.319 0.579 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1nccs1 ZINC000516223080 387484001 /nfs/dbraw/zinc/48/40/01/387484001.db2.gz UYSULKUXGFXNQE-UHFFFAOYSA-N 1 2 236.300 0.699 20 0 BCADLO CSCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374712585 387484261 /nfs/dbraw/zinc/48/42/61/387484261.db2.gz IYSGWFVBEDOPMA-UHFFFAOYSA-N 1 2 225.317 0.897 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCCOC1 ZINC000336632932 387485268 /nfs/dbraw/zinc/48/52/68/387485268.db2.gz MWLWVZILXVINDE-LLVKDONJSA-N 1 2 223.276 0.843 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCCOC1 ZINC000336632932 387485269 /nfs/dbraw/zinc/48/52/69/387485269.db2.gz MWLWVZILXVINDE-LLVKDONJSA-N 1 2 223.276 0.843 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCCOC1)CC2 ZINC000374709926 387485372 /nfs/dbraw/zinc/48/53/72/387485372.db2.gz AYXRLAGEFNSUIO-LLVKDONJSA-N 1 2 249.314 0.960 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cn(C)nn1 ZINC000361845623 387542491 /nfs/dbraw/zinc/54/24/91/387542491.db2.gz PMRRBCZDNGOSCS-QMMMGPOBSA-N 1 2 249.278 0.222 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@H]2O)c(C)s1 ZINC000352797949 387489601 /nfs/dbraw/zinc/48/96/01/387489601.db2.gz WQMGQPFCIJVSAX-WDEREUQCSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@H]2O)c(C)s1 ZINC000352797949 387489602 /nfs/dbraw/zinc/48/96/02/387489602.db2.gz WQMGQPFCIJVSAX-WDEREUQCSA-N 1 2 242.344 0.951 20 0 BCADLO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1nnnn1C ZINC000361560582 387490684 /nfs/dbraw/zinc/49/06/84/387490684.db2.gz HBAXJFIKNKIMAK-BDAKNGLRSA-N 1 2 227.312 0.628 20 0 BCADLO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1nnnn1C ZINC000361560582 387490689 /nfs/dbraw/zinc/49/06/89/387490689.db2.gz HBAXJFIKNKIMAK-BDAKNGLRSA-N 1 2 227.312 0.628 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@@H](O)C(F)F)C1 ZINC000516312232 387492746 /nfs/dbraw/zinc/49/27/46/387492746.db2.gz BVARHIKMUXLPOV-SSDOTTSWSA-N 1 2 236.262 0.070 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C)CC1 ZINC000362220018 387585338 /nfs/dbraw/zinc/58/53/38/387585338.db2.gz LRLSWSYYMFENFJ-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)CCn1cccn1 ZINC000123804413 387596733 /nfs/dbraw/zinc/59/67/33/387596733.db2.gz GEEJBANXLYMDKV-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCc1cccs1 ZINC000362382750 387605714 /nfs/dbraw/zinc/60/57/14/387605714.db2.gz AVGYEAOPGWJUNF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCc1cccs1 ZINC000362382750 387605718 /nfs/dbraw/zinc/60/57/18/387605718.db2.gz AVGYEAOPGWJUNF-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000305444979 387607148 /nfs/dbraw/zinc/60/71/48/387607148.db2.gz OTTTXKJKFFJFBV-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000305444979 387607149 /nfs/dbraw/zinc/60/71/49/387607149.db2.gz OTTTXKJKFFJFBV-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000305444977 387607316 /nfs/dbraw/zinc/60/73/16/387607316.db2.gz OTTTXKJKFFJFBV-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000305444977 387607319 /nfs/dbraw/zinc/60/73/19/387607319.db2.gz OTTTXKJKFFJFBV-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)ccn1 ZINC000527539214 387607808 /nfs/dbraw/zinc/60/78/08/387607808.db2.gz JQHVUMAVQAXBRB-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H]2CC(N)=O)ccn1 ZINC000527539214 387607812 /nfs/dbraw/zinc/60/78/12/387607812.db2.gz JQHVUMAVQAXBRB-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCc2ccccc2C1 ZINC000356029693 387607851 /nfs/dbraw/zinc/60/78/51/387607851.db2.gz QMYYGPOBZKJKTE-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1nnnc1C[N@H+]1CCc2ccccc2C1 ZINC000356029693 387607855 /nfs/dbraw/zinc/60/78/55/387607855.db2.gz QMYYGPOBZKJKTE-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccn1 ZINC000527532294 387623478 /nfs/dbraw/zinc/62/34/78/387623478.db2.gz CWMNEWMSVYOBDJ-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ccn1 ZINC000527532294 387623482 /nfs/dbraw/zinc/62/34/82/387623482.db2.gz CWMNEWMSVYOBDJ-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000361867442 387546336 /nfs/dbraw/zinc/54/63/36/387546336.db2.gz GRBBIYSKNYXLOM-NSHDSACASA-N 1 2 246.314 0.673 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000361867442 387546341 /nfs/dbraw/zinc/54/63/41/387546341.db2.gz GRBBIYSKNYXLOM-NSHDSACASA-N 1 2 246.314 0.673 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)ccn1 ZINC000527534255 387627004 /nfs/dbraw/zinc/62/70/04/387627004.db2.gz NBXGIGSYTIMBCD-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)ccn1 ZINC000527534255 387627009 /nfs/dbraw/zinc/62/70/09/387627009.db2.gz NBXGIGSYTIMBCD-JTQLQIEISA-N 1 2 219.288 0.710 20 0 BCADLO C[C@@H](C(=O)NCCC1CC1)[NH+]1CCN(C)CC1 ZINC000361993734 387558878 /nfs/dbraw/zinc/55/88/78/387558878.db2.gz TYEGKTRMSWOPKO-NSHDSACASA-N 1 2 239.363 0.539 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)ccn1 ZINC000527534258 387627357 /nfs/dbraw/zinc/62/73/57/387627357.db2.gz NBXGIGSYTIMBCD-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)ccn1 ZINC000527534258 387627359 /nfs/dbraw/zinc/62/73/59/387627359.db2.gz NBXGIGSYTIMBCD-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1nnccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000362038551 387562388 /nfs/dbraw/zinc/56/23/88/387562388.db2.gz PVKXQHYVQNUQTG-UHFFFAOYSA-N 1 2 232.247 0.830 20 0 BCADLO CC(=O)CSCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000426400793 387566091 /nfs/dbraw/zinc/56/60/91/387566091.db2.gz KWXYZCFMOZLTGC-UHFFFAOYSA-N 1 2 241.316 0.690 20 0 BCADLO C[C@@H](O)CCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000362071649 387566920 /nfs/dbraw/zinc/56/69/20/387566920.db2.gz JFARHWDOJBSFKH-NXEZZACHSA-N 1 2 224.308 0.816 20 0 BCADLO C[C@@H](O)CCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000362071649 387566923 /nfs/dbraw/zinc/56/69/23/387566923.db2.gz JFARHWDOJBSFKH-NXEZZACHSA-N 1 2 224.308 0.816 20 0 BCADLO CC(=O)NCCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362073770 387567375 /nfs/dbraw/zinc/56/73/75/387567375.db2.gz ZFLLIHLFPULGGM-UWVGGRQHSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@H]1C[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000527473926 387570607 /nfs/dbraw/zinc/57/06/07/387570607.db2.gz OSNQGGILEYOCEV-IUCAKERBSA-N 1 2 207.277 0.972 20 0 BCADLO COC(=O)[C@@H](C)CN1CCc2c([nH+]cn2C)C1 ZINC000375720937 387574848 /nfs/dbraw/zinc/57/48/48/387574848.db2.gz CHLADWYWOMTGFM-VIFPVBQESA-N 1 2 237.303 0.587 20 0 BCADLO O=C(C(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375729659 387576517 /nfs/dbraw/zinc/57/65/17/387576517.db2.gz GGHIVMQMVTVHKS-QMMMGPOBSA-N 1 2 234.246 0.185 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362561610 387630517 /nfs/dbraw/zinc/63/05/17/387630517.db2.gz QDPNOIOLWHCFLM-CABZTGNLSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362561610 387630519 /nfs/dbraw/zinc/63/05/19/387630519.db2.gz QDPNOIOLWHCFLM-CABZTGNLSA-N 1 2 238.331 0.764 20 0 BCADLO O=C(CO)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000305723615 387638383 /nfs/dbraw/zinc/63/83/83/387638383.db2.gz QHUQSPUSCGDKEJ-UHFFFAOYSA-N 1 2 249.245 0.620 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOC1CCC1 ZINC000376515661 387646760 /nfs/dbraw/zinc/64/67/60/387646760.db2.gz SVVRCGDLBIMOCL-GXSJLCMTSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOC1CCC1 ZINC000376515661 387646763 /nfs/dbraw/zinc/64/67/63/387646763.db2.gz SVVRCGDLBIMOCL-GXSJLCMTSA-N 1 2 243.303 0.164 20 0 BCADLO CCOCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353903 387648292 /nfs/dbraw/zinc/64/82/92/387648292.db2.gz VGHIJXUIAXLOBC-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CCOCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353903 387648294 /nfs/dbraw/zinc/64/82/94/387648294.db2.gz VGHIJXUIAXLOBC-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(C)=O ZINC000376532173 387648842 /nfs/dbraw/zinc/64/88/42/387648842.db2.gz JUOAXVVGUKPLGF-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1CCC(C)=O ZINC000376532173 387648846 /nfs/dbraw/zinc/64/88/46/387648846.db2.gz JUOAXVVGUKPLGF-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO CC=CC[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000430955944 387664171 /nfs/dbraw/zinc/66/41/71/387664171.db2.gz BUKSEDNIBAQOTP-MXQLGCADSA-N 1 2 248.286 0.770 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000305862415 387665425 /nfs/dbraw/zinc/66/54/25/387665425.db2.gz MEZYXRGBOWRSMB-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000305862415 387665431 /nfs/dbraw/zinc/66/54/31/387665431.db2.gz MEZYXRGBOWRSMB-QMMMGPOBSA-N 1 2 227.264 0.173 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cccn2C)n1 ZINC000527737892 387670102 /nfs/dbraw/zinc/67/01/02/387670102.db2.gz VRCVQGYXRKFQKG-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000440784861 387695908 /nfs/dbraw/zinc/69/59/08/387695908.db2.gz JEPGONJBQQLMND-SNVBAGLBSA-N 1 2 245.342 0.616 20 0 BCADLO CC[C@@H](F)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000440784861 387695912 /nfs/dbraw/zinc/69/59/12/387695912.db2.gz JEPGONJBQQLMND-SNVBAGLBSA-N 1 2 245.342 0.616 20 0 BCADLO CCNC(=O)CN1CC[NH+](C[C@H](F)CC)CC1 ZINC000440706220 387675394 /nfs/dbraw/zinc/67/53/94/387675394.db2.gz RBPOKUDMGRCOAD-LLVKDONJSA-N 1 2 245.342 0.488 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(CCO)CC1 ZINC000440713215 387681251 /nfs/dbraw/zinc/68/12/51/387681251.db2.gz RENJPPCDDWAQFF-SNVBAGLBSA-N 1 2 204.289 0.344 20 0 BCADLO CCn1ncc(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000527733770 387682074 /nfs/dbraw/zinc/68/20/74/387682074.db2.gz FRHJKIKVEBZZEE-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccnn2C)n1 ZINC000527735200 387682471 /nfs/dbraw/zinc/68/24/71/387682471.db2.gz OFYGJMAEYIFKCS-UHFFFAOYSA-N 1 2 220.280 0.321 20 0 BCADLO CCn1ncc(C[NH2+]Cc2c(C)nn(C)c2C)n1 ZINC000527734978 387683214 /nfs/dbraw/zinc/68/32/14/387683214.db2.gz NATDIYYCTGUBMF-UHFFFAOYSA-N 1 2 248.334 0.938 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccn(C)c2)n1 ZINC000527736171 387684849 /nfs/dbraw/zinc/68/48/49/387684849.db2.gz QZNTVYHNWMCMQJ-UHFFFAOYSA-N 1 2 219.292 0.926 20 0 BCADLO CCc1ncc(C[NH2+]Cc2cnn(CC)n2)cn1 ZINC000527736104 387685589 /nfs/dbraw/zinc/68/55/89/387685589.db2.gz QKSSTRRJQYOUQR-UHFFFAOYSA-N 1 2 246.318 0.940 20 0 BCADLO CCNC(=O)C(C)(C)[NH2+]Cc1ncnn1CC ZINC000313078269 387687980 /nfs/dbraw/zinc/68/79/80/387687980.db2.gz TXHDHYKXXQYYIW-UHFFFAOYSA-N 1 2 239.323 0.302 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nnnn3C)C2)c1 ZINC000377716285 387743568 /nfs/dbraw/zinc/74/35/68/387743568.db2.gz GDDABXDVNMOJAZ-SNVBAGLBSA-N 1 2 247.306 0.162 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nnnn3C)C2)c1 ZINC000377716285 387743574 /nfs/dbraw/zinc/74/35/74/387743574.db2.gz GDDABXDVNMOJAZ-SNVBAGLBSA-N 1 2 247.306 0.162 20 0 BCADLO COc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000527823043 387746528 /nfs/dbraw/zinc/74/65/28/387746528.db2.gz JXBFQWNIVXHBMT-UHFFFAOYSA-N 1 2 235.287 0.792 20 0 BCADLO Cn1c[nH+]cc1CN1CCOC[C@]12CCOC2 ZINC000441357269 387750933 /nfs/dbraw/zinc/75/09/33/387750933.db2.gz MPXDURDWGLUERJ-GFCCVEGCSA-N 1 2 237.303 0.411 20 0 BCADLO COC[C@@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000432090467 387751800 /nfs/dbraw/zinc/75/18/00/387751800.db2.gz CHURUXWMTWLBOP-JTQLQIEISA-N 1 2 238.291 0.313 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC(=O)CC1 ZINC000548583138 387753959 /nfs/dbraw/zinc/75/39/59/387753959.db2.gz AGIZQEYAQTXJTI-UHFFFAOYSA-N 1 2 221.260 0.154 20 0 BCADLO C[C@@H](C1CCC1)[N@H+](C)Cc1nnn(C)n1 ZINC000440796510 387702988 /nfs/dbraw/zinc/70/29/88/387702988.db2.gz LGFYLMHESKDAFK-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H](C1CCC1)[N@@H+](C)Cc1nnn(C)n1 ZINC000440796510 387702993 /nfs/dbraw/zinc/70/29/93/387702993.db2.gz LGFYLMHESKDAFK-QMMMGPOBSA-N 1 2 209.297 0.831 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000356755513 387715047 /nfs/dbraw/zinc/71/50/47/387715047.db2.gz RBEZSCPXPYXMFT-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO CC[N@H+](Cc1cnoc1C)[C@H]1CCNC1=O ZINC000440949354 387717491 /nfs/dbraw/zinc/71/74/91/387717491.db2.gz DUMPJFNBCZIMFT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1cnoc1C)[C@H]1CCNC1=O ZINC000440949354 387717496 /nfs/dbraw/zinc/71/74/96/387717496.db2.gz DUMPJFNBCZIMFT-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CSC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000356769165 387717858 /nfs/dbraw/zinc/71/78/58/387717858.db2.gz UCAVQEPSYSOEFG-UHFFFAOYSA-N 1 2 225.317 0.932 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCNC(=O)CC1 ZINC000367555166 387727051 /nfs/dbraw/zinc/72/70/51/387727051.db2.gz ZEGWYWSCBMNNKN-JTQLQIEISA-N 1 2 242.319 0.396 20 0 BCADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCNC(=O)CC1 ZINC000367555166 387727054 /nfs/dbraw/zinc/72/70/54/387727054.db2.gz ZEGWYWSCBMNNKN-JTQLQIEISA-N 1 2 242.319 0.396 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000527804121 387727707 /nfs/dbraw/zinc/72/77/07/387727707.db2.gz MPXAWJZUPJJEKX-JIOCBJNQSA-N 1 2 225.296 0.112 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)nn1 ZINC000377693270 387741856 /nfs/dbraw/zinc/74/18/56/387741856.db2.gz KDKJPLKTURWAIT-LLVKDONJSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)nn1 ZINC000377693270 387741863 /nfs/dbraw/zinc/74/18/63/387741863.db2.gz KDKJPLKTURWAIT-LLVKDONJSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000441467336 387762498 /nfs/dbraw/zinc/76/24/98/387762498.db2.gz OZJGOUHGYRWRSR-HWPZZCPQSA-N 1 2 247.360 0.781 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000441467336 387762502 /nfs/dbraw/zinc/76/25/02/387762502.db2.gz OZJGOUHGYRWRSR-HWPZZCPQSA-N 1 2 247.360 0.781 20 0 BCADLO C[C@H]1C[N@H+](CC2(C)COC2)CC[S@]1=O ZINC000441488861 387764569 /nfs/dbraw/zinc/76/45/69/387764569.db2.gz RODKLKVGEJXRNM-LKFCYVNXSA-N 1 2 217.334 0.476 20 0 BCADLO C[C@H]1C[N@@H+](CC2(C)COC2)CC[S@]1=O ZINC000441488861 387764570 /nfs/dbraw/zinc/76/45/70/387764570.db2.gz RODKLKVGEJXRNM-LKFCYVNXSA-N 1 2 217.334 0.476 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(N)=O ZINC000047629354 387778316 /nfs/dbraw/zinc/77/83/16/387778316.db2.gz LEOXPHJBAZGWFU-ZJUUUORDSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(N)=O ZINC000047629354 387778321 /nfs/dbraw/zinc/77/83/21/387778321.db2.gz LEOXPHJBAZGWFU-ZJUUUORDSA-N 1 2 241.335 0.098 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOCC[C@H]1C ZINC000378486261 387786900 /nfs/dbraw/zinc/78/69/00/387786900.db2.gz DANZMRZLJBFLKQ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOCC[C@H]1C ZINC000378486261 387786904 /nfs/dbraw/zinc/78/69/04/387786904.db2.gz DANZMRZLJBFLKQ-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO C[C@H]1COCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000432437612 387790651 /nfs/dbraw/zinc/79/06/51/387790651.db2.gz RTUBOOQBLJKELV-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO c1[nH]c(CN2CCOC[C@@]23CCOC3)c[nH+]1 ZINC000193740258 387802878 /nfs/dbraw/zinc/80/28/78/387802878.db2.gz DBNGZYXMDMGGQE-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO c1[nH]cc(CN2CCOC[C@@]23CCOC3)[nH+]1 ZINC000193740258 387802880 /nfs/dbraw/zinc/80/28/80/387802880.db2.gz DBNGZYXMDMGGQE-NSHDSACASA-N 1 2 223.276 0.401 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCCn3ncnc32)c[nH+]1 ZINC000267837437 387810511 /nfs/dbraw/zinc/81/05/11/387810511.db2.gz KGRLPGIAPHBXGU-QMMMGPOBSA-N 1 2 246.274 0.575 20 0 BCADLO Cn1ncc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000377946871 387758743 /nfs/dbraw/zinc/75/87/43/387758743.db2.gz QQONHQHWNBHWEF-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cn1ncc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000377946871 387758747 /nfs/dbraw/zinc/75/87/47/387758747.db2.gz QQONHQHWNBHWEF-UHFFFAOYSA-N 1 2 222.292 0.428 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000377993232 387759792 /nfs/dbraw/zinc/75/97/92/387759792.db2.gz SFZFULOAUXOUPY-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1nc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000377993232 387759797 /nfs/dbraw/zinc/75/97/97/387759797.db2.gz SFZFULOAUXOUPY-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO CC[C@@](C)(OC)C(=O)NCC[NH+]1CCOCC1 ZINC000170229315 387820311 /nfs/dbraw/zinc/82/03/11/387820311.db2.gz HGQDHEYLBJCKBH-GFCCVEGCSA-N 1 2 244.335 0.250 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000432793914 387822903 /nfs/dbraw/zinc/82/29/03/387822903.db2.gz RCWDEATUVGLOCJ-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000432793914 387822911 /nfs/dbraw/zinc/82/29/11/387822911.db2.gz RCWDEATUVGLOCJ-VHSXEESVSA-N 1 2 224.308 0.672 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000360059578 387824122 /nfs/dbraw/zinc/82/41/22/387824122.db2.gz PRYVBPGOLAUKBT-JTQLQIEISA-N 1 2 236.275 0.355 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000360059578 387824125 /nfs/dbraw/zinc/82/41/25/387824125.db2.gz PRYVBPGOLAUKBT-JTQLQIEISA-N 1 2 236.275 0.355 20 0 BCADLO CN(C)c1ccc(NCc2cn(C)nn2)c[nH+]1 ZINC000054859592 387830056 /nfs/dbraw/zinc/83/00/56/387830056.db2.gz PGJLBXDBGFICHR-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO COc1ccc[nH+]c1N1CC(=O)N[C@@H](C)C1 ZINC000528026457 387830552 /nfs/dbraw/zinc/83/05/52/387830552.db2.gz FJVNVUPOCLGNSW-QMMMGPOBSA-N 1 2 221.260 0.415 20 0 BCADLO Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)nc[nH+]1 ZINC000432882433 387836085 /nfs/dbraw/zinc/83/60/85/387836085.db2.gz ZPGPGKBXZIIJBX-XXFAHNHDSA-N 1 2 239.344 0.990 20 0 BCADLO Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)nc[nH+]1 ZINC000432882432 387836348 /nfs/dbraw/zinc/83/63/48/387836348.db2.gz ZPGPGKBXZIIJBX-JDNHERCYSA-N 1 2 239.344 0.990 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncccn1 ZINC000432926361 387838441 /nfs/dbraw/zinc/83/84/41/387838441.db2.gz FXFYVLLPQUWVRQ-LLVKDONJSA-N 1 2 236.319 0.634 20 0 BCADLO CC[C@@H](NC(=O)c1nnn(C)c1C)c1[nH]cc[nH+]1 ZINC000442804007 387844806 /nfs/dbraw/zinc/84/48/06/387844806.db2.gz VJNAECPXEQZBHS-MRVPVSSYSA-N 1 2 248.290 0.728 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000061707767 387845098 /nfs/dbraw/zinc/84/50/98/387845098.db2.gz GKNGLIOGKDQRKL-QMMMGPOBSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000061707767 387845100 /nfs/dbraw/zinc/84/51/00/387845100.db2.gz GKNGLIOGKDQRKL-QMMMGPOBSA-N 1 2 235.243 0.896 20 0 BCADLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC000582579850 387851015 /nfs/dbraw/zinc/85/10/15/387851015.db2.gz RDBOHNFIGDTFHO-MNOVXSKESA-N 1 2 237.303 0.767 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[S@@](=O)C1 ZINC000433019027 387851139 /nfs/dbraw/zinc/85/11/39/387851139.db2.gz HYKKMCKFIFWTBO-RFAUZJTJSA-N 1 2 227.333 0.610 20 0 BCADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC[S@@](=O)C1 ZINC000433029278 387853098 /nfs/dbraw/zinc/85/30/98/387853098.db2.gz RQPBVVWNDKTFQH-MGPLVRAMSA-N 1 2 241.360 0.621 20 0 BCADLO CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000062366987 387854010 /nfs/dbraw/zinc/85/40/10/387854010.db2.gz JTNVIBUNUNZHIZ-UHFFFAOYSA-N 1 2 227.231 0.647 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000442882689 387854852 /nfs/dbraw/zinc/85/48/52/387854852.db2.gz AXFDSGMIGIEZEC-GFCCVEGCSA-N 1 2 228.336 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000442882689 387854854 /nfs/dbraw/zinc/85/48/54/387854854.db2.gz AXFDSGMIGIEZEC-GFCCVEGCSA-N 1 2 228.336 0.966 20 0 BCADLO COCCOCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193667130 387861237 /nfs/dbraw/zinc/86/12/37/387861237.db2.gz MHQBGYPHOGGQMC-GFCCVEGCSA-N 1 2 245.319 0.141 20 0 BCADLO COCCOCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193667130 387861242 /nfs/dbraw/zinc/86/12/42/387861242.db2.gz MHQBGYPHOGGQMC-GFCCVEGCSA-N 1 2 245.319 0.141 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626188 387863208 /nfs/dbraw/zinc/86/32/08/387863208.db2.gz XGKOVVTWLULKOF-VXNVDRBHSA-N 1 2 223.276 0.896 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626188 387863215 /nfs/dbraw/zinc/86/32/15/387863215.db2.gz XGKOVVTWLULKOF-VXNVDRBHSA-N 1 2 223.276 0.896 20 0 BCADLO COc1ccnc(C[NH2+]Cc2ccnn2C)n1 ZINC000424172464 387868655 /nfs/dbraw/zinc/86/86/55/387868655.db2.gz OCQOOHSCMOIGCZ-UHFFFAOYSA-N 1 2 233.275 0.509 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000433131089 387869674 /nfs/dbraw/zinc/86/96/74/387869674.db2.gz JJMLHSGHVISZNF-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO COC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000433131089 387869680 /nfs/dbraw/zinc/86/96/80/387869680.db2.gz JJMLHSGHVISZNF-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCc1cccnn1 ZINC000236112355 387874764 /nfs/dbraw/zinc/87/47/64/387874764.db2.gz AFEVSGAGFBSKCR-UHFFFAOYSA-N 1 2 241.258 0.765 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432778841 387816468 /nfs/dbraw/zinc/81/64/68/387816468.db2.gz AKYQIDCDUPFEDQ-MRVPVSSYSA-N 1 2 226.324 0.915 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432778841 387816475 /nfs/dbraw/zinc/81/64/75/387816475.db2.gz AKYQIDCDUPFEDQ-MRVPVSSYSA-N 1 2 226.324 0.915 20 0 BCADLO COc1ccc[nH+]c1N1CCO[C@H]([C@H](C)O)C1 ZINC000528035717 387817246 /nfs/dbraw/zinc/81/72/46/387817246.db2.gz JQLDRRXTRCIIIY-ONGXEEELSA-N 1 2 238.287 0.676 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432778842 387818452 /nfs/dbraw/zinc/81/84/52/387818452.db2.gz AKYQIDCDUPFEDQ-QMMMGPOBSA-N 1 2 226.324 0.915 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432778842 387818456 /nfs/dbraw/zinc/81/84/56/387818456.db2.gz AKYQIDCDUPFEDQ-QMMMGPOBSA-N 1 2 226.324 0.915 20 0 BCADLO CCOCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000444621324 387893487 /nfs/dbraw/zinc/89/34/87/387893487.db2.gz BNCNWJNGFBHZMY-SNVBAGLBSA-N 1 2 247.335 0.705 20 0 BCADLO CCOCC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000444643413 387898412 /nfs/dbraw/zinc/89/84/12/387898412.db2.gz VTSIMIIOZFGUKZ-MMPTUQATSA-N 1 2 249.376 0.227 20 0 BCADLO CCOCC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000444643413 387898416 /nfs/dbraw/zinc/89/84/16/387898416.db2.gz VTSIMIIOZFGUKZ-MMPTUQATSA-N 1 2 249.376 0.227 20 0 BCADLO O[C@H]1C[NH+](Cc2nc3ccccc3[nH]2)C[C@@H]1O ZINC000236591700 387898449 /nfs/dbraw/zinc/89/84/49/387898449.db2.gz KUYMBNIJQHMWIK-QWRGUYRKSA-N 1 2 233.271 0.100 20 0 BCADLO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000152474550 387885145 /nfs/dbraw/zinc/88/51/45/387885145.db2.gz ZMCIIITTXZZAMT-WPRPVWTQSA-N 1 2 229.349 0.920 20 0 BCADLO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000152474664 387885278 /nfs/dbraw/zinc/88/52/78/387885278.db2.gz ZMCIIITTXZZAMT-SCZZXKLOSA-N 1 2 229.349 0.920 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194621267 387887416 /nfs/dbraw/zinc/88/74/16/387887416.db2.gz BWBDNTXJBWHVIZ-KXGOJYIESA-N 1 2 224.304 0.566 20 0 BCADLO C/C=C/C=C/C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194621267 387887420 /nfs/dbraw/zinc/88/74/20/387887420.db2.gz BWBDNTXJBWHVIZ-KXGOJYIESA-N 1 2 224.304 0.566 20 0 BCADLO Cc1ccc(O)c(C[NH+]2CCOCC2)n1 ZINC000154516168 387899261 /nfs/dbraw/zinc/89/92/61/387899261.db2.gz GTOGLDSTIVEQJJ-UHFFFAOYSA-N 1 2 208.261 0.928 20 0 BCADLO COc1ncnc2c1C[N@H+](C[C@H](C)O)CC2 ZINC000194952446 387900414 /nfs/dbraw/zinc/90/04/14/387900414.db2.gz VCQZMTDPSAUHNU-QMMMGPOBSA-N 1 2 223.276 0.224 20 0 BCADLO COc1ncnc2c1C[N@@H+](C[C@H](C)O)CC2 ZINC000194952446 387900418 /nfs/dbraw/zinc/90/04/18/387900418.db2.gz VCQZMTDPSAUHNU-QMMMGPOBSA-N 1 2 223.276 0.224 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC1(F)F ZINC000448711667 387910847 /nfs/dbraw/zinc/91/08/47/387910847.db2.gz WSUSLSAJVKEMFW-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CCCNC2=O)cn1 ZINC000532981271 387913104 /nfs/dbraw/zinc/91/31/04/387913104.db2.gz FQLOYAAJTIVRLG-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CCCNC2=O)cn1 ZINC000532981271 387913107 /nfs/dbraw/zinc/91/31/07/387913107.db2.gz FQLOYAAJTIVRLG-LLVKDONJSA-N 1 2 236.319 0.613 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000444733198 387917407 /nfs/dbraw/zinc/91/74/07/387917407.db2.gz JOYKCFDXGAJSKI-SECBINFHSA-N 1 2 239.323 0.334 20 0 BCADLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(N)=O ZINC000444786962 387932316 /nfs/dbraw/zinc/93/23/16/387932316.db2.gz PHPGGYSDPQUNSC-GFCCVEGCSA-N 1 2 242.319 0.670 20 0 BCADLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(N)=O ZINC000444786962 387932319 /nfs/dbraw/zinc/93/23/19/387932319.db2.gz PHPGGYSDPQUNSC-GFCCVEGCSA-N 1 2 242.319 0.670 20 0 BCADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000424200022 387928398 /nfs/dbraw/zinc/92/83/98/387928398.db2.gz FTBMZBHIXUDNEK-KZVJFYERSA-N 1 2 230.258 0.898 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Nc1ccncn1 ZINC000445160963 387943297 /nfs/dbraw/zinc/94/32/97/387943297.db2.gz JGTHKVFGNXDGKE-UHFFFAOYSA-N 1 2 232.247 0.532 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000438571240 387943590 /nfs/dbraw/zinc/94/35/90/387943590.db2.gz LFYVIGBZZGMECB-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO COCCN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222761 387943660 /nfs/dbraw/zinc/94/36/60/387943660.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 1 2 243.395 0.637 20 0 BCADLO COCCN(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222761 387943663 /nfs/dbraw/zinc/94/36/63/387943663.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 1 2 243.395 0.637 20 0 BCADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245435007 387946259 /nfs/dbraw/zinc/94/62/59/387946259.db2.gz QDZVVWCDRQRWMW-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245435007 387946261 /nfs/dbraw/zinc/94/62/61/387946261.db2.gz QDZVVWCDRQRWMW-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@](C)(CCO)NC(=O)CCn1cc[nH+]c1 ZINC000226526486 387946965 /nfs/dbraw/zinc/94/69/65/387946965.db2.gz DWINKBZTIFGDJD-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)N1CC[C@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000245461147 387947355 /nfs/dbraw/zinc/94/73/55/387947355.db2.gz FRKONULVMKEAGJ-QWRGUYRKSA-N 1 2 226.320 0.716 20 0 BCADLO CC(C)N1CC[C@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000245461147 387947356 /nfs/dbraw/zinc/94/73/56/387947356.db2.gz FRKONULVMKEAGJ-QWRGUYRKSA-N 1 2 226.320 0.716 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000245665257 387971308 /nfs/dbraw/zinc/97/13/08/387971308.db2.gz GUCCMPZGTYPWCS-NKWVEPMBSA-N 1 2 248.735 0.724 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000245665257 387971313 /nfs/dbraw/zinc/97/13/13/387971313.db2.gz GUCCMPZGTYPWCS-NKWVEPMBSA-N 1 2 248.735 0.724 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000245688946 387973635 /nfs/dbraw/zinc/97/36/35/387973635.db2.gz OHZGLGWEMHBUGG-STQMWFEESA-N 1 2 246.310 0.948 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000245688946 387973636 /nfs/dbraw/zinc/97/36/36/387973636.db2.gz OHZGLGWEMHBUGG-STQMWFEESA-N 1 2 246.310 0.948 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439279501 387987333 /nfs/dbraw/zinc/98/73/33/387987333.db2.gz ANDFXPJTGYVMSQ-OUAUKWLOSA-N 1 2 245.319 0.674 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439279501 387987338 /nfs/dbraw/zinc/98/73/38/387987338.db2.gz ANDFXPJTGYVMSQ-OUAUKWLOSA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)C[N@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000245874845 387990114 /nfs/dbraw/zinc/99/01/14/387990114.db2.gz SPKWXHSWISKBLQ-WCQYABFASA-N 1 2 235.283 0.750 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000245874845 387990118 /nfs/dbraw/zinc/99/01/18/387990118.db2.gz SPKWXHSWISKBLQ-WCQYABFASA-N 1 2 235.283 0.750 20 0 BCADLO COC[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000446193031 388006961 /nfs/dbraw/zinc/00/69/61/388006961.db2.gz RCAAVTSWWAZNBS-VIFPVBQESA-N 1 2 225.292 0.709 20 0 BCADLO COCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000159356697 388009885 /nfs/dbraw/zinc/00/98/85/388009885.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 2 243.395 0.494 20 0 BCADLO COCC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000159356697 388009888 /nfs/dbraw/zinc/00/98/88/388009888.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 2 243.395 0.494 20 0 BCADLO COCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000159356697 388009891 /nfs/dbraw/zinc/00/98/91/388009891.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 2 243.395 0.494 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000065955192 388010426 /nfs/dbraw/zinc/01/04/26/388010426.db2.gz ZAECVBUWMDRKMT-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000065955192 388010430 /nfs/dbraw/zinc/01/04/30/388010430.db2.gz ZAECVBUWMDRKMT-NXEZZACHSA-N 1 2 241.335 0.112 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446079967 387996530 /nfs/dbraw/zinc/99/65/30/387996530.db2.gz KPZVIVSOMCKJTP-HBNTYKKESA-N 1 2 228.336 0.962 20 0 BCADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446079967 387996532 /nfs/dbraw/zinc/99/65/32/387996532.db2.gz KPZVIVSOMCKJTP-HBNTYKKESA-N 1 2 228.336 0.962 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000158327556 388014538 /nfs/dbraw/zinc/01/45/38/388014538.db2.gz HFCVNWMIMQAFRM-UHFFFAOYSA-N 1 2 244.298 0.949 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000082303198 388025929 /nfs/dbraw/zinc/02/59/29/388025929.db2.gz PJKBMAGIFDBGBD-SNVBAGLBSA-N 1 2 244.360 0.188 20 0 BCADLO CC[NH+]1CCN(C[C@H](C)CS(C)(=O)=O)CC1 ZINC000161966580 388032336 /nfs/dbraw/zinc/03/23/36/388032336.db2.gz NQQCJWLHISJJDP-NSHDSACASA-N 1 2 248.392 0.305 20 0 BCADLO CCN1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000161966580 388032338 /nfs/dbraw/zinc/03/23/38/388032338.db2.gz NQQCJWLHISJJDP-NSHDSACASA-N 1 2 248.392 0.305 20 0 BCADLO COC1(CO)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000447068502 388051781 /nfs/dbraw/zinc/05/17/81/388051781.db2.gz RJYCUSSFURUGDP-UHFFFAOYSA-N 1 2 239.319 0.691 20 0 BCADLO CC[C@@H](F)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000440531639 388053614 /nfs/dbraw/zinc/05/36/14/388053614.db2.gz MTCWYLURQZRDJB-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1ncc[nH]1 ZINC000108879881 388060402 /nfs/dbraw/zinc/06/04/02/388060402.db2.gz IZRJXFJWLMGFJQ-UHFFFAOYSA-N 1 2 210.281 0.366 20 0 BCADLO OC[C@@H]1CCCC[N@@H+]1Cc1ncnn1CCF ZINC000440697803 388069411 /nfs/dbraw/zinc/06/94/11/388069411.db2.gz WSFJXJPUEAQTOL-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO OC[C@@H]1CCCC[N@H+]1Cc1ncnn1CCF ZINC000440697803 388069416 /nfs/dbraw/zinc/06/94/16/388069416.db2.gz WSFJXJPUEAQTOL-JTQLQIEISA-N 1 2 242.298 0.594 20 0 BCADLO Nc1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000084081496 388069767 /nfs/dbraw/zinc/06/97/67/388069767.db2.gz POEQZMLUJDKIAN-UHFFFAOYSA-N 1 2 217.232 0.317 20 0 BCADLO Nc1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000084081496 388069771 /nfs/dbraw/zinc/06/97/71/388069771.db2.gz POEQZMLUJDKIAN-UHFFFAOYSA-N 1 2 217.232 0.317 20 0 BCADLO CCOCCNC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000084695836 388080442 /nfs/dbraw/zinc/08/04/42/388080442.db2.gz IHLMWXDMICQSDZ-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000084695836 388080445 /nfs/dbraw/zinc/08/04/45/388080445.db2.gz IHLMWXDMICQSDZ-PHIMTYICSA-N 1 2 244.335 0.248 20 0 BCADLO CC1(C)C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000447795759 388093017 /nfs/dbraw/zinc/09/30/17/388093017.db2.gz QBSAINLWXYUEQB-VIFPVBQESA-N 1 2 236.319 0.885 20 0 BCADLO CC1(C)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@@H]1O ZINC000447795759 388093022 /nfs/dbraw/zinc/09/30/22/388093022.db2.gz QBSAINLWXYUEQB-VIFPVBQESA-N 1 2 236.319 0.885 20 0 BCADLO CCc1nsc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000085791183 388096234 /nfs/dbraw/zinc/09/62/34/388096234.db2.gz IJNIOKLUWYGXDH-QMMMGPOBSA-N 1 2 242.348 0.843 20 0 BCADLO CCc1nsc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000085791183 388096236 /nfs/dbraw/zinc/09/62/36/388096236.db2.gz IJNIOKLUWYGXDH-QMMMGPOBSA-N 1 2 242.348 0.843 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000170771696 388100641 /nfs/dbraw/zinc/10/06/41/388100641.db2.gz SVNPEMJQXFWHLA-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000170771696 388100643 /nfs/dbraw/zinc/10/06/43/388100643.db2.gz SVNPEMJQXFWHLA-QMMMGPOBSA-N 1 2 211.265 0.989 20 0 BCADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447916820 388104031 /nfs/dbraw/zinc/10/40/31/388104031.db2.gz PRYNYTCSEYFCTG-GARJFASQSA-N 1 2 245.319 0.458 20 0 BCADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261528058 135152722 /nfs/dbraw/zinc/15/27/22/135152722.db2.gz GIBIHLDCCDQUKK-SSDOTTSWSA-N 1 2 204.220 0.604 20 0 BCADLO Cn1c[nH+]cc1CN1CCN(C(=O)C2CC2)CC1 ZINC000533284762 388046541 /nfs/dbraw/zinc/04/65/41/388046541.db2.gz SJRRJXQKFXNNDV-UHFFFAOYSA-N 1 2 248.330 0.474 20 0 BCADLO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171425 388159447 /nfs/dbraw/zinc/15/94/47/388159447.db2.gz JBMKJZKIKOCGQR-IONNQARKSA-N 1 2 245.286 0.894 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccoc1)[C@H](C)O ZINC000449271798 388165849 /nfs/dbraw/zinc/16/58/49/388165849.db2.gz UQBYJOVTOGSGNN-ATZCPNFKSA-N 1 2 241.287 0.723 20 0 BCADLO COCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257911 388171895 /nfs/dbraw/zinc/17/18/95/388171895.db2.gz QOOLVZPHMVFDLO-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO COCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257911 388171897 /nfs/dbraw/zinc/17/18/97/388171897.db2.gz QOOLVZPHMVFDLO-UHFFFAOYSA-N 1 2 223.276 0.721 20 0 BCADLO O=C(c1ccon1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259092 388172267 /nfs/dbraw/zinc/17/22/67/388172267.db2.gz DTXWTDZBYAAQSH-UHFFFAOYSA-N 1 2 218.216 0.596 20 0 BCADLO O=C(c1ccon1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259092 388172270 /nfs/dbraw/zinc/17/22/70/388172270.db2.gz DTXWTDZBYAAQSH-UHFFFAOYSA-N 1 2 218.216 0.596 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000152150388 388176862 /nfs/dbraw/zinc/17/68/62/388176862.db2.gz ISOIROPIMXDOHL-QWRGUYRKSA-N 1 2 236.271 0.435 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000152150388 388176864 /nfs/dbraw/zinc/17/68/64/388176864.db2.gz ISOIROPIMXDOHL-QWRGUYRKSA-N 1 2 236.271 0.435 20 0 BCADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000456215044 388185886 /nfs/dbraw/zinc/18/58/86/388185886.db2.gz LJSGLDQWPSIQCO-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000456215044 388185889 /nfs/dbraw/zinc/18/58/89/388185889.db2.gz LJSGLDQWPSIQCO-TXEJJXNPSA-N 1 2 238.331 0.766 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1conc1C ZINC000646064062 388134999 /nfs/dbraw/zinc/13/49/99/388134999.db2.gz WQSRTWXWOGAEEQ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1conc1C ZINC000646064062 388135000 /nfs/dbraw/zinc/13/50/00/388135000.db2.gz WQSRTWXWOGAEEQ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249784948 388143080 /nfs/dbraw/zinc/14/30/80/388143080.db2.gz RGXJWOYRASGKMQ-NSHDSACASA-N 1 2 246.376 0.896 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249784948 388143083 /nfs/dbraw/zinc/14/30/83/388143083.db2.gz RGXJWOYRASGKMQ-NSHDSACASA-N 1 2 246.376 0.896 20 0 BCADLO O=C(CC1CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000646120254 388146311 /nfs/dbraw/zinc/14/63/11/388146311.db2.gz WZYBALHQPDDAEV-LBPRGKRZSA-N 1 2 237.347 0.293 20 0 BCADLO O=C(CC1CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000646120254 388146314 /nfs/dbraw/zinc/14/63/14/388146314.db2.gz WZYBALHQPDDAEV-LBPRGKRZSA-N 1 2 237.347 0.293 20 0 BCADLO CCn1cc[nH+]c1CN1CN(C)C(=O)[C@H]1C ZINC000646123405 388146796 /nfs/dbraw/zinc/14/67/96/388146796.db2.gz PSLDSXHDDDINMZ-SECBINFHSA-N 1 2 222.292 0.523 20 0 BCADLO C[C@H](CNc1cc(CO)cc[nH+]1)c1nncn1C ZINC000641526289 388151066 /nfs/dbraw/zinc/15/10/66/388151066.db2.gz ZNVQQRYCILKOGT-SECBINFHSA-N 1 2 247.302 0.918 20 0 BCADLO OCc1cc[nH+]c(N2C[C@H](O)CC(F)(F)C2)c1 ZINC000641526873 388151282 /nfs/dbraw/zinc/15/12/82/388151282.db2.gz WDLVNWJNOJMDLP-SECBINFHSA-N 1 2 244.241 0.780 20 0 BCADLO C[C@@H](Cc1ccoc1)[NH2+]Cc1nnn(C)n1 ZINC000449190050 388155045 /nfs/dbraw/zinc/15/50/45/388155045.db2.gz PWMDQUTYAOUFKB-QMMMGPOBSA-N 1 2 221.264 0.524 20 0 BCADLO C[C@H](CO)[C@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000164897021 388249550 /nfs/dbraw/zinc/24/95/50/388249550.db2.gz LPKOENAQUGNCCT-BDAKNGLRSA-N 1 2 217.309 0.935 20 0 BCADLO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000164284253 388202343 /nfs/dbraw/zinc/20/23/43/388202343.db2.gz QYKIFKZSRMFNLD-VXNVDRBHSA-N 1 2 215.322 0.612 20 0 BCADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](O)CC ZINC000456705110 388216424 /nfs/dbraw/zinc/21/64/24/388216424.db2.gz KKZJSLXKSOHUKT-SCZZXKLOSA-N 1 2 225.292 0.997 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164620150 388241839 /nfs/dbraw/zinc/24/18/39/388241839.db2.gz GSNHDVRICYZLDC-BDAKNGLRSA-N 1 2 201.266 0.252 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164620150 388241842 /nfs/dbraw/zinc/24/18/42/388241842.db2.gz GSNHDVRICYZLDC-BDAKNGLRSA-N 1 2 201.266 0.252 20 0 BCADLO CC(C)CCOCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639072 388287412 /nfs/dbraw/zinc/28/74/12/388287412.db2.gz JUUSMVSBLYOPNA-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CCOCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639072 388287414 /nfs/dbraw/zinc/28/74/14/388287414.db2.gz JUUSMVSBLYOPNA-LLVKDONJSA-N 1 2 228.336 0.869 20 0 BCADLO O=C(/C=C\C1CCC1)NCC[NH+]1CCOCC1 ZINC000492064004 388333263 /nfs/dbraw/zinc/33/32/63/388333263.db2.gz BCDJRNBYPGZXIM-PLNGDYQASA-N 1 2 238.331 0.791 20 0 BCADLO CO[C@@H](C)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451833918 388298854 /nfs/dbraw/zinc/29/88/54/388298854.db2.gz NBICNDPLTGJZDB-YUMQZZPRSA-N 1 2 211.252 0.969 20 0 BCADLO CO[C@@H](C)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451833918 388298857 /nfs/dbraw/zinc/29/88/57/388298857.db2.gz NBICNDPLTGJZDB-YUMQZZPRSA-N 1 2 211.252 0.969 20 0 BCADLO CO[C@H](C)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451833916 388299743 /nfs/dbraw/zinc/29/97/43/388299743.db2.gz NBICNDPLTGJZDB-JGVFFNPUSA-N 1 2 211.252 0.969 20 0 BCADLO CO[C@H](C)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451833916 388299744 /nfs/dbraw/zinc/29/97/44/388299744.db2.gz NBICNDPLTGJZDB-JGVFFNPUSA-N 1 2 211.252 0.969 20 0 BCADLO Cn1c[nH+]cc1C[S@@](=O)C[C@H]1CCCO1 ZINC000491614302 388304748 /nfs/dbraw/zinc/30/47/48/388304748.db2.gz ZJVZKPXLOXMCQS-MEBBXXQBSA-N 1 2 228.317 0.848 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163343416 388261673 /nfs/dbraw/zinc/26/16/73/388261673.db2.gz ODLWMTPWJZVHJD-ZJUUUORDSA-N 1 2 209.293 0.967 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451439318 388273845 /nfs/dbraw/zinc/27/38/45/388273845.db2.gz NTRNIEBHGTYIGX-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451439318 388273847 /nfs/dbraw/zinc/27/38/47/388273847.db2.gz NTRNIEBHGTYIGX-XCBNKYQSSA-N 1 2 237.246 0.640 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000451462415 388276132 /nfs/dbraw/zinc/27/61/32/388276132.db2.gz TYXAPZGBEUNZLA-RKDXNWHRSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000451462415 388276133 /nfs/dbraw/zinc/27/61/33/388276133.db2.gz TYXAPZGBEUNZLA-RKDXNWHRSA-N 1 2 224.308 0.712 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)on1 ZINC000230012145 388348898 /nfs/dbraw/zinc/34/88/98/388348898.db2.gz QZACPEKCORZTIC-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)on1 ZINC000230012145 388348899 /nfs/dbraw/zinc/34/88/99/388348899.db2.gz QZACPEKCORZTIC-MWLCHTKSSA-N 1 2 226.276 0.565 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000234557618 388356743 /nfs/dbraw/zinc/35/67/43/388356743.db2.gz FFLKCHJTMJSBLH-UWVGGRQHSA-N 1 2 215.293 0.545 20 0 BCADLO C[NH2+]CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000572639966 388362940 /nfs/dbraw/zinc/36/29/40/388362940.db2.gz MDSGUDVRYUCIMO-UHFFFAOYSA-N 1 2 230.214 0.620 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CCN1CCCC1 ZINC000289915228 388364355 /nfs/dbraw/zinc/36/43/55/388364355.db2.gz OEWRXARGVWJQBR-UHFFFAOYSA-N 1 2 208.309 0.904 20 0 BCADLO Cc1cn[nH]c1CNCC[NH+]1CCCC1 ZINC000289915228 388364357 /nfs/dbraw/zinc/36/43/57/388364357.db2.gz OEWRXARGVWJQBR-UHFFFAOYSA-N 1 2 208.309 0.904 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230271312 388364990 /nfs/dbraw/zinc/36/49/90/388364990.db2.gz HUUGSECJHQUNEH-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230271312 388364994 /nfs/dbraw/zinc/36/49/94/388364994.db2.gz HUUGSECJHQUNEH-UWVGGRQHSA-N 1 2 224.308 0.501 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)no1 ZINC000305197764 388367110 /nfs/dbraw/zinc/36/71/10/388367110.db2.gz UOEDEEFKVHALAI-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)no1 ZINC000305197764 388367112 /nfs/dbraw/zinc/36/71/12/388367112.db2.gz UOEDEEFKVHALAI-SCZZXKLOSA-N 1 2 225.292 0.971 20 0 BCADLO C[C@H](C[S@](C)=O)Nc1nc[nH+]c(N)c1Cl ZINC000235471162 388369246 /nfs/dbraw/zinc/36/92/46/388369246.db2.gz PKRZYNQWNQUKNN-BMSCFWOVSA-N 1 2 248.739 0.891 20 0 BCADLO C[C@@H]1[C@H](C(=O)N2CCc3[nH]nnc3C2)CC[N@@H+]1C ZINC000648798421 388371172 /nfs/dbraw/zinc/37/11/72/388371172.db2.gz FKATUALCPUNFGJ-RKDXNWHRSA-N 1 2 249.318 0.030 20 0 BCADLO C[C@@H]1[C@H](C(=O)N2CCc3[nH]nnc3C2)CC[N@H+]1C ZINC000648798421 388371173 /nfs/dbraw/zinc/37/11/73/388371173.db2.gz FKATUALCPUNFGJ-RKDXNWHRSA-N 1 2 249.318 0.030 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305761961 388373834 /nfs/dbraw/zinc/37/38/34/388373834.db2.gz MBQUCYNYAAREGK-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305761961 388373837 /nfs/dbraw/zinc/37/38/37/388373837.db2.gz MBQUCYNYAAREGK-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO Cc1cn[nH]c1C[NH2+]CCS(=O)(=O)C(C)C ZINC000291491042 388376458 /nfs/dbraw/zinc/37/64/58/388376458.db2.gz GQMIBLIIJNVUNT-UHFFFAOYSA-N 1 2 245.348 0.631 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CCS(=O)(=O)C(C)C ZINC000291491042 388376460 /nfs/dbraw/zinc/37/64/60/388376460.db2.gz GQMIBLIIJNVUNT-UHFFFAOYSA-N 1 2 245.348 0.631 20 0 BCADLO Nc1[nH+]cnc(NC[C@@H]2COCCO2)c1Cl ZINC000236392286 388379300 /nfs/dbraw/zinc/37/93/00/388379300.db2.gz MTZQIZYKQIOERB-ZCFIWIBFSA-N 1 2 244.682 0.540 20 0 BCADLO Nc1nc[nH+]c(NC[C@@H]2COCCO2)c1Cl ZINC000236392286 388379301 /nfs/dbraw/zinc/37/93/01/388379301.db2.gz MTZQIZYKQIOERB-ZCFIWIBFSA-N 1 2 244.682 0.540 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000236934620 388386793 /nfs/dbraw/zinc/38/67/93/388386793.db2.gz UFUQTHIUNRXQME-IUCAKERBSA-N 1 2 241.335 0.239 20 0 BCADLO CCO[C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236913469 388386853 /nfs/dbraw/zinc/38/68/53/388386853.db2.gz NXAXLDZNMFKCBW-LDYMZIIASA-N 1 2 214.309 0.655 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000236946987 388386869 /nfs/dbraw/zinc/38/68/69/388386869.db2.gz UFUQTHIUNRXQME-BDAKNGLRSA-N 1 2 241.335 0.239 20 0 BCADLO CC[C@H]([NH3+])C(=O)N[C@@H]1COc2ccccc2C1 ZINC000236936238 388386985 /nfs/dbraw/zinc/38/69/85/388386985.db2.gz DTPGHLBYXGZKQO-QWRGUYRKSA-N 1 2 234.299 0.844 20 0 BCADLO CN(CCOCCO)c1cc(CO)cc[nH+]1 ZINC000300768437 388392304 /nfs/dbraw/zinc/39/23/04/388392304.db2.gz AHTODTAESCYWRB-UHFFFAOYSA-N 1 2 226.276 0.019 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000315770072 388402674 /nfs/dbraw/zinc/40/26/74/388402674.db2.gz PSJKIRIRLFBVLF-LLVKDONJSA-N 1 2 209.293 0.969 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NCCCO ZINC000492253519 388339323 /nfs/dbraw/zinc/33/93/23/388339323.db2.gz SGFFANNVSUABGN-PLNGDYQASA-N 1 2 223.276 0.415 20 0 BCADLO COC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000525978110 388441097 /nfs/dbraw/zinc/44/10/97/388441097.db2.gz RSGXLUNLORFNTK-VIFPVBQESA-N 1 2 203.257 0.836 20 0 BCADLO COC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000525978110 388441099 /nfs/dbraw/zinc/44/10/99/388441099.db2.gz RSGXLUNLORFNTK-VIFPVBQESA-N 1 2 203.257 0.836 20 0 BCADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C(N)=O)O1 ZINC000525980010 388444881 /nfs/dbraw/zinc/44/48/81/388444881.db2.gz DZQFVOYSVUKPQJ-HTQZYQBOSA-N 1 2 216.256 0.063 20 0 BCADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C(N)=O)O1 ZINC000525980010 388444883 /nfs/dbraw/zinc/44/48/83/388444883.db2.gz DZQFVOYSVUKPQJ-HTQZYQBOSA-N 1 2 216.256 0.063 20 0 BCADLO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000308608904 388445214 /nfs/dbraw/zinc/44/52/14/388445214.db2.gz QEEGEOJCCBTCEZ-HRDYMLBCSA-N 1 2 203.282 0.951 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000575248080 388449669 /nfs/dbraw/zinc/44/96/69/388449669.db2.gz FKHOYPJCPYXGTP-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000575248080 388449672 /nfs/dbraw/zinc/44/96/72/388449672.db2.gz FKHOYPJCPYXGTP-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528368971 388451529 /nfs/dbraw/zinc/45/15/29/388451529.db2.gz XGXHBKBLAKXPLR-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000528368971 388451531 /nfs/dbraw/zinc/45/15/31/388451531.db2.gz XGXHBKBLAKXPLR-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO C/C=C/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000058100678 388460004 /nfs/dbraw/zinc/46/00/04/388460004.db2.gz OQBMNROMEKVALT-MQQKCMAXSA-N 1 2 224.304 0.567 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000132570952 388462525 /nfs/dbraw/zinc/46/25/25/388462525.db2.gz VZCQNQHZSLUESH-GLEZIHRCSA-N 1 2 229.349 0.965 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000336711768 388466112 /nfs/dbraw/zinc/46/61/12/388466112.db2.gz UQEACCYZIUHKEV-IONNQARKSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000336711768 388466114 /nfs/dbraw/zinc/46/61/14/388466114.db2.gz UQEACCYZIUHKEV-IONNQARKSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000336711758 388466359 /nfs/dbraw/zinc/46/63/59/388466359.db2.gz UQEACCYZIUHKEV-APPZFPTMSA-N 1 2 210.281 0.316 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000336711758 388466360 /nfs/dbraw/zinc/46/63/60/388466360.db2.gz UQEACCYZIUHKEV-APPZFPTMSA-N 1 2 210.281 0.316 20 0 BCADLO CC(C)[C@H](O)C[N@H+](C)Cc1nncn1C ZINC000336713535 388467049 /nfs/dbraw/zinc/46/70/49/388467049.db2.gz VOOBYFOMNDLRQC-SECBINFHSA-N 1 2 212.297 0.264 20 0 BCADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nncn1C ZINC000336713535 388467051 /nfs/dbraw/zinc/46/70/51/388467051.db2.gz VOOBYFOMNDLRQC-SECBINFHSA-N 1 2 212.297 0.264 20 0 BCADLO COC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000648866985 388475010 /nfs/dbraw/zinc/47/50/10/388475010.db2.gz XEOYIIVUUXFGBV-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO CCn1cc[nH+]c1CN1CCCC[C@@H]1C(N)=O ZINC000195513867 388476274 /nfs/dbraw/zinc/47/62/74/388476274.db2.gz UUFAACPOXPRSDZ-SNVBAGLBSA-N 1 2 236.319 0.743 20 0 BCADLO Cc1ccnc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000174657365 388409671 /nfs/dbraw/zinc/40/96/71/388409671.db2.gz MJWBSKIBBWUABY-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO Cc1ccnc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000174657365 388409672 /nfs/dbraw/zinc/40/96/72/388409672.db2.gz MJWBSKIBBWUABY-JTQLQIEISA-N 1 2 235.287 0.659 20 0 BCADLO Cc1csc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000174687398 388410274 /nfs/dbraw/zinc/41/02/74/388410274.db2.gz FZPMKYZSEREWKT-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1csc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000174687398 388410277 /nfs/dbraw/zinc/41/02/77/388410277.db2.gz FZPMKYZSEREWKT-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)oc1C ZINC000573060806 388414475 /nfs/dbraw/zinc/41/44/75/388414475.db2.gz RQXHVYRGXSDFDC-WDEREUQCSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)oc1C ZINC000573060806 388414478 /nfs/dbraw/zinc/41/44/78/388414478.db2.gz RQXHVYRGXSDFDC-WDEREUQCSA-N 1 2 240.303 0.467 20 0 BCADLO Cc1nc(N2CCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000174922233 388419148 /nfs/dbraw/zinc/41/91/48/388419148.db2.gz ZGFABJILMRVDJP-ZETCQYMHSA-N 1 2 206.249 0.110 20 0 BCADLO Cc1nc(N2CCNC(=O)[C@H]2C)cc[nH+]1 ZINC000174922256 388419346 /nfs/dbraw/zinc/41/93/46/388419346.db2.gz ZGFABJILMRVDJP-SSDOTTSWSA-N 1 2 206.249 0.110 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372468479 388419461 /nfs/dbraw/zinc/41/94/61/388419461.db2.gz HTGAJZFXXASAKW-UWVGGRQHSA-N 1 2 212.293 0.361 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372468479 388419462 /nfs/dbraw/zinc/41/94/62/388419462.db2.gz HTGAJZFXXASAKW-UWVGGRQHSA-N 1 2 212.293 0.361 20 0 BCADLO COC1(C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000648832035 388423870 /nfs/dbraw/zinc/42/38/70/388423870.db2.gz WEOOLQORZGLDNE-UHFFFAOYSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](C(=O)Nc1nn[nH]n1)[NH+]1CCCCCC1 ZINC000175487895 388433013 /nfs/dbraw/zinc/43/30/13/388433013.db2.gz CFHUOFXIIYBZCU-QMMMGPOBSA-N 1 2 238.295 0.403 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC12CC2 ZINC000573239886 388434821 /nfs/dbraw/zinc/43/48/21/388434821.db2.gz QKTNDKUBAZHTAN-VIFPVBQESA-N 1 2 220.276 0.772 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](C)OC)C(C)C ZINC000167005242 388436662 /nfs/dbraw/zinc/43/66/62/388436662.db2.gz MGNPKWBKGSZLHE-DTWKUNHWSA-N 1 2 203.282 0.809 20 0 BCADLO Cc1nc(N2CCc3n[nH]c(=O)cc3C2)cc[nH+]1 ZINC000548447782 388539728 /nfs/dbraw/zinc/53/97/28/388539728.db2.gz NXYAGYCASCJSDY-UHFFFAOYSA-N 1 2 243.270 0.843 20 0 BCADLO Cn1nnnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000517393645 388550476 /nfs/dbraw/zinc/55/04/76/388550476.db2.gz SKJPLQXBTKZEDQ-UHFFFAOYSA-N 1 2 248.290 0.125 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCc2cccnn2)C1 ZINC000517172046 388540471 /nfs/dbraw/zinc/54/04/71/388540471.db2.gz HDNMRCYCYWDDCN-UHFFFAOYSA-N 1 2 234.303 0.435 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1(O)CCCC1 ZINC000548460471 388540810 /nfs/dbraw/zinc/54/08/10/388540810.db2.gz ROEPWUIXJSTGKE-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO O=C1CCCN1CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000517212280 388541771 /nfs/dbraw/zinc/54/17/71/388541771.db2.gz GEWRYJUQMUUHJS-UHFFFAOYSA-N 1 2 249.318 0.175 20 0 BCADLO O=C1CCCN1CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000517212280 388541773 /nfs/dbraw/zinc/54/17/73/388541773.db2.gz GEWRYJUQMUUHJS-UHFFFAOYSA-N 1 2 249.318 0.175 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCOC1 ZINC000548515197 388545514 /nfs/dbraw/zinc/54/55/14/388545514.db2.gz CTRNTQLKLLZYHB-JTQLQIEISA-N 1 2 237.303 0.505 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000547805224 388484826 /nfs/dbraw/zinc/48/48/26/388484826.db2.gz DRZMUFHSNKAGCU-WDEREUQCSA-N 1 2 237.303 0.504 20 0 BCADLO COC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000648907797 388488664 /nfs/dbraw/zinc/48/86/64/388488664.db2.gz FXGNUHGRXNFSJV-UHFFFAOYSA-N 1 2 221.260 0.404 20 0 BCADLO C[C@H]([NH2+]Cc1nnnn1C)c1cccc(O)c1 ZINC000341813259 388496774 /nfs/dbraw/zinc/49/67/74/388496774.db2.gz VNRYQRUKIIYAOL-QMMMGPOBSA-N 1 2 233.275 0.767 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000547971072 388499563 /nfs/dbraw/zinc/49/95/63/388499563.db2.gz ZEBWQWHEFLNUAD-VIFPVBQESA-N 1 2 222.292 0.080 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000547971072 388499564 /nfs/dbraw/zinc/49/95/64/388499564.db2.gz ZEBWQWHEFLNUAD-VIFPVBQESA-N 1 2 222.292 0.080 20 0 BCADLO CC[C@H](C)OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000178566719 388501462 /nfs/dbraw/zinc/50/14/62/388501462.db2.gz JGFHNDABQOOXJP-VIFPVBQESA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@@]1(C)C[N@H+](CCCS(C)(=O)=O)CCO1 ZINC000135590400 388501479 /nfs/dbraw/zinc/50/14/79/388501479.db2.gz ABAGCXLPFUCACU-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CCCS(C)(=O)=O)CCO1 ZINC000135590400 388501481 /nfs/dbraw/zinc/50/14/81/388501481.db2.gz ABAGCXLPFUCACU-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ncn(C)n1 ZINC000548075766 388508687 /nfs/dbraw/zinc/50/86/87/388508687.db2.gz ZECODDFFVAVNNV-BDAKNGLRSA-N 1 2 237.307 0.087 20 0 BCADLO CO[C@@]1(C)CCC[N@H+](Cc2nncn2C)C1 ZINC000548097013 388510927 /nfs/dbraw/zinc/51/09/27/388510927.db2.gz NTCNBQWDVSXYSN-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CO[C@@]1(C)CCC[N@@H+](Cc2nncn2C)C1 ZINC000548097013 388510928 /nfs/dbraw/zinc/51/09/28/388510928.db2.gz NTCNBQWDVSXYSN-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548103662 388512353 /nfs/dbraw/zinc/51/23/53/388512353.db2.gz MFCXSIQRAZOLKV-LBPRGKRZSA-N 1 2 237.303 0.673 20 0 BCADLO CC[C@@H](OC)C(=O)NCCc1c[nH+]cn1C ZINC000548132199 388515419 /nfs/dbraw/zinc/51/54/19/388515419.db2.gz DYXPLMQFZISAAM-SNVBAGLBSA-N 1 2 225.292 0.504 20 0 BCADLO CCOC(=O)CC(=O)NCCc1c[nH+]cn1C ZINC000548132980 388515477 /nfs/dbraw/zinc/51/54/77/388515477.db2.gz BFJMGUXURJYEOY-UHFFFAOYSA-N 1 2 239.275 0.032 20 0 BCADLO Cn1ccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000548131585 388515830 /nfs/dbraw/zinc/51/58/30/388515830.db2.gz KPYCKPOENLNVLQ-UHFFFAOYSA-N 1 2 232.287 0.731 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000528399860 388519737 /nfs/dbraw/zinc/51/97/37/388519737.db2.gz YBNLWNFEDMDSRL-WWQRDVDESA-N 1 2 229.711 0.838 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000528399860 388519740 /nfs/dbraw/zinc/51/97/40/388519740.db2.gz YBNLWNFEDMDSRL-WWQRDVDESA-N 1 2 229.711 0.838 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)Cc1c[nH+]cn1C ZINC000548191247 388520402 /nfs/dbraw/zinc/52/04/02/388520402.db2.gz QNEJELCOYAFLSG-SNVBAGLBSA-N 1 2 247.302 0.364 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cn[nH]c1 ZINC000548191011 388521086 /nfs/dbraw/zinc/52/10/86/388521086.db2.gz DLBNLVVILPLANJ-UHFFFAOYSA-N 1 2 205.221 0.324 20 0 BCADLO CCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000079064111 388521858 /nfs/dbraw/zinc/52/18/58/388521858.db2.gz OMYDBQLVOAQWFU-UHFFFAOYSA-N 1 2 240.307 0.609 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)[nH]1 ZINC000516903408 388524126 /nfs/dbraw/zinc/52/41/26/388524126.db2.gz GEUDROJXQVKMCJ-NGZCFLSTSA-N 1 2 249.318 0.199 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)[nH]1 ZINC000516903408 388524127 /nfs/dbraw/zinc/52/41/27/388524127.db2.gz GEUDROJXQVKMCJ-NGZCFLSTSA-N 1 2 249.318 0.199 20 0 BCADLO CC[C@@]1(O)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000548287958 388525616 /nfs/dbraw/zinc/52/56/16/388525616.db2.gz NVUDWGLBWSSRJV-GFCCVEGCSA-N 1 2 247.302 0.715 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1nnc(C2CC2)s1 ZINC000528502319 388535502 /nfs/dbraw/zinc/53/55/02/388535502.db2.gz HBVGPUQGUWWVEP-UHFFFAOYSA-N 1 2 240.332 0.723 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1nnc(C2CC2)s1 ZINC000528502319 388535505 /nfs/dbraw/zinc/53/55/05/388535505.db2.gz HBVGPUQGUWWVEP-UHFFFAOYSA-N 1 2 240.332 0.723 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1ncccc1Cl ZINC000528503995 388535576 /nfs/dbraw/zinc/53/55/76/388535576.db2.gz LTDSHRLKOZJXNO-VIFPVBQESA-N 1 2 244.722 0.910 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1ncccc1Cl ZINC000528503995 388535580 /nfs/dbraw/zinc/53/55/80/388535580.db2.gz LTDSHRLKOZJXNO-VIFPVBQESA-N 1 2 244.722 0.910 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CC[C@H]1O ZINC000253185732 388586319 /nfs/dbraw/zinc/58/63/19/388586319.db2.gz KGLGJTCTAMBPBA-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CC[C@H]1O ZINC000253185732 388586321 /nfs/dbraw/zinc/58/63/21/388586321.db2.gz KGLGJTCTAMBPBA-PSASIEDQSA-N 1 2 237.307 0.211 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295314 388588803 /nfs/dbraw/zinc/58/88/03/388588803.db2.gz BKGXZXHGJUJLCZ-VWYCJHECSA-N 1 2 237.303 0.619 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295314 388588807 /nfs/dbraw/zinc/58/88/07/388588807.db2.gz BKGXZXHGJUJLCZ-VWYCJHECSA-N 1 2 237.303 0.619 20 0 BCADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295313 388588882 /nfs/dbraw/zinc/58/88/82/388588882.db2.gz BKGXZXHGJUJLCZ-MXWKQRLJSA-N 1 2 237.303 0.619 20 0 BCADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295313 388588883 /nfs/dbraw/zinc/58/88/83/388588883.db2.gz BKGXZXHGJUJLCZ-MXWKQRLJSA-N 1 2 237.303 0.619 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000529797903 388589588 /nfs/dbraw/zinc/58/95/88/388589588.db2.gz WZDSEPDMZHVCFL-RNCFNFMXSA-N 1 2 249.314 0.646 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000529853547 388591711 /nfs/dbraw/zinc/59/17/11/388591711.db2.gz CVDKYBSRCBYIQB-PWSUYJOCSA-N 1 2 237.303 0.646 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC12CC(C1)CO2 ZINC000529867216 388594801 /nfs/dbraw/zinc/59/48/01/388594801.db2.gz BYQCJCNCVTWWOG-TTXORMCVSA-N 1 2 249.314 0.884 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC12CC(C1)CO2 ZINC000529867216 388594804 /nfs/dbraw/zinc/59/48/04/388594804.db2.gz BYQCJCNCVTWWOG-TTXORMCVSA-N 1 2 249.314 0.884 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCN1CC(F)F ZINC000245771693 388604490 /nfs/dbraw/zinc/60/44/90/388604490.db2.gz SJQDMOVKMPEFPS-BDAKNGLRSA-N 1 2 249.305 0.522 20 0 BCADLO CC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCN1CC(F)F ZINC000245771693 388604492 /nfs/dbraw/zinc/60/44/92/388604492.db2.gz SJQDMOVKMPEFPS-BDAKNGLRSA-N 1 2 249.305 0.522 20 0 BCADLO CO[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000517452030 388550876 /nfs/dbraw/zinc/55/08/76/388550876.db2.gz LRYQEALASMAUIV-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635281 388553999 /nfs/dbraw/zinc/55/39/99/388553999.db2.gz PHCYKXUFLPUMHF-KKZNHRDASA-N 1 2 235.287 0.063 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635281 388554001 /nfs/dbraw/zinc/55/40/01/388554001.db2.gz PHCYKXUFLPUMHF-KKZNHRDASA-N 1 2 235.287 0.063 20 0 BCADLO CCOC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000528713988 388559951 /nfs/dbraw/zinc/55/99/51/388559951.db2.gz AEJBIQITSHTAOF-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CCO1 ZINC000528713988 388559953 /nfs/dbraw/zinc/55/99/53/388559953.db2.gz AEJBIQITSHTAOF-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)no1 ZINC000285854626 388560137 /nfs/dbraw/zinc/56/01/37/388560137.db2.gz IFWFDKPFVJIKOZ-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)no1 ZINC000285854626 388560138 /nfs/dbraw/zinc/56/01/38/388560138.db2.gz IFWFDKPFVJIKOZ-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000528718829 388560798 /nfs/dbraw/zinc/56/07/98/388560798.db2.gz ILNYACSWKHLQTO-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000528718829 388560802 /nfs/dbraw/zinc/56/08/02/388560802.db2.gz ILNYACSWKHLQTO-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cnccn2)C1=O ZINC000080964842 388564847 /nfs/dbraw/zinc/56/48/47/388564847.db2.gz PWJCKGNRVZBNDD-JTQLQIEISA-N 1 2 220.276 0.139 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cnccn2)C1=O ZINC000080964842 388564850 /nfs/dbraw/zinc/56/48/50/388564850.db2.gz PWJCKGNRVZBNDD-JTQLQIEISA-N 1 2 220.276 0.139 20 0 BCADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000528775827 388571500 /nfs/dbraw/zinc/57/15/00/388571500.db2.gz ZUUNITVXHUUTIQ-SSDOTTSWSA-N 1 2 246.261 0.728 20 0 BCADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000528775827 388571504 /nfs/dbraw/zinc/57/15/04/388571504.db2.gz ZUUNITVXHUUTIQ-SSDOTTSWSA-N 1 2 246.261 0.728 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000252771313 388577262 /nfs/dbraw/zinc/57/72/62/388577262.db2.gz LPFRBEJZHPMVDX-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000252771313 388577264 /nfs/dbraw/zinc/57/72/64/388577264.db2.gz LPFRBEJZHPMVDX-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccnn1 ZINC000528870954 388580354 /nfs/dbraw/zinc/58/03/54/388580354.db2.gz NWBOROYFWDHVSY-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccnn1 ZINC000528870954 388580356 /nfs/dbraw/zinc/58/03/56/388580356.db2.gz NWBOROYFWDHVSY-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000245472592 388582556 /nfs/dbraw/zinc/58/25/56/388582556.db2.gz PDHIPWNSDMRXNT-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000245472592 388582557 /nfs/dbraw/zinc/58/25/57/388582557.db2.gz PDHIPWNSDMRXNT-BDAKNGLRSA-N 1 2 241.291 0.734 20 0 BCADLO COC(=O)[C@@H](NCc1c[nH+]cn1C)C(C)C ZINC000085168080 388665500 /nfs/dbraw/zinc/66/55/00/388665500.db2.gz WXFJUZDEDNKANO-JTQLQIEISA-N 1 2 225.292 0.707 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247957826 388671360 /nfs/dbraw/zinc/67/13/60/388671360.db2.gz FVDHJPBIWGHAHR-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247957826 388671364 /nfs/dbraw/zinc/67/13/64/388671364.db2.gz FVDHJPBIWGHAHR-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CCC[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000248121396 388674004 /nfs/dbraw/zinc/67/40/04/388674004.db2.gz UIOKHYQGNFTHSK-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCC[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000248121396 388674006 /nfs/dbraw/zinc/67/40/06/388674006.db2.gz UIOKHYQGNFTHSK-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO COc1ncccc1NC(=O)Cn1cc[nH+]c1 ZINC000522049414 388676254 /nfs/dbraw/zinc/67/62/54/388676254.db2.gz HXYNZKUJNMHEAV-UHFFFAOYSA-N 1 2 232.243 0.925 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCOC1 ZINC000521643851 388622110 /nfs/dbraw/zinc/62/21/10/388622110.db2.gz QRKXSRIVONFRMH-SECBINFHSA-N 1 2 223.276 0.556 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2nncs2)c1 ZINC000530188746 388624853 /nfs/dbraw/zinc/62/48/53/388624853.db2.gz HWYOFNPHFWDMDT-UHFFFAOYSA-N 1 2 237.288 0.244 20 0 BCADLO CCN(CCCO)C(=O)NCc1c[nH+]cn1C ZINC000360292645 388633625 /nfs/dbraw/zinc/63/36/25/388633625.db2.gz ZBYNSIXXWISJTD-UHFFFAOYSA-N 1 2 240.307 0.334 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(=O)OC)C(C)C ZINC000083399606 388639094 /nfs/dbraw/zinc/63/90/94/388639094.db2.gz RTFGEGAAMUBXLA-RKDXNWHRSA-N 1 2 203.282 0.809 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](COC)C(C)C ZINC000083399133 388639177 /nfs/dbraw/zinc/63/91/77/388639177.db2.gz YDKJQKZVIGFPKX-VIFPVBQESA-N 1 2 203.282 0.810 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCOC ZINC000521903447 388640750 /nfs/dbraw/zinc/64/07/50/388640750.db2.gz SCZKPPYVFNOUOO-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCOC ZINC000521903447 388640751 /nfs/dbraw/zinc/64/07/51/388640751.db2.gz SCZKPPYVFNOUOO-VIFPVBQESA-N 1 2 233.333 0.613 20 0 BCADLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000328467755 388643351 /nfs/dbraw/zinc/64/33/51/388643351.db2.gz MBFFHGVBIFTAOG-RQJHMYQMSA-N 1 2 235.247 0.509 20 0 BCADLO COC[C@](C)([NH2+]CC[C@@H]1CCCO1)C(=O)OC ZINC000189800527 388644268 /nfs/dbraw/zinc/64/42/68/388644268.db2.gz BSKPMFXPGUBQCI-JQWIXIFHSA-N 1 2 245.319 0.723 20 0 BCADLO CN(CC1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC000551905843 388646067 /nfs/dbraw/zinc/64/60/67/388646067.db2.gz GAYJHPFTZHYGFY-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCO1 ZINC000246693908 388648647 /nfs/dbraw/zinc/64/86/47/388648647.db2.gz YUDLWIOAUGMQAE-WDEREUQCSA-N 1 2 249.376 0.778 20 0 BCADLO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCO1 ZINC000246693908 388648649 /nfs/dbraw/zinc/64/86/49/388648649.db2.gz YUDLWIOAUGMQAE-WDEREUQCSA-N 1 2 249.376 0.778 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOCC1(C)C ZINC000530304779 388648923 /nfs/dbraw/zinc/64/89/23/388648923.db2.gz KIYCQHWRFRRIIE-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000074685416 388650874 /nfs/dbraw/zinc/65/08/74/388650874.db2.gz KLRLTZQUHWCKCY-UHFFFAOYSA-N 1 2 222.292 0.116 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCOCC(F)F ZINC000530363997 388651761 /nfs/dbraw/zinc/65/17/61/388651761.db2.gz BVAMQTWCCUPTQU-UHFFFAOYSA-N 1 2 247.245 0.361 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C[C@@H](O)COC)C1CC1 ZINC000190834629 388656675 /nfs/dbraw/zinc/65/66/75/388656675.db2.gz HASNTLIRXMSTQZ-GXSJLCMTSA-N 1 2 245.319 0.410 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C[C@@H](O)COC)C1CC1 ZINC000190834629 388656676 /nfs/dbraw/zinc/65/66/76/388656676.db2.gz HASNTLIRXMSTQZ-GXSJLCMTSA-N 1 2 245.319 0.410 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124147735 388661554 /nfs/dbraw/zinc/66/15/54/388661554.db2.gz SUKQCRGLQFTBPX-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000124147735 388661557 /nfs/dbraw/zinc/66/15/57/388661557.db2.gz SUKQCRGLQFTBPX-JTQLQIEISA-N 1 2 210.281 0.162 20 0 BCADLO C[C@H]1C[N@H+](CCO)CCN1CC(F)(F)F ZINC000127956215 388733996 /nfs/dbraw/zinc/73/39/96/388733996.db2.gz OEGZKRTYMUAROW-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO C[C@H]1C[N@@H+](CCO)CCN1CC(F)(F)F ZINC000127956215 388734000 /nfs/dbraw/zinc/73/40/00/388734000.db2.gz OEGZKRTYMUAROW-QMMMGPOBSA-N 1 2 226.242 0.547 20 0 BCADLO Cc1cnn(CC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000522251293 388734818 /nfs/dbraw/zinc/73/48/18/388734818.db2.gz WLZRGDCKNUDKDG-UHFFFAOYSA-N 1 2 245.286 0.472 20 0 BCADLO CC[C@@H](C)C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000649055637 388757342 /nfs/dbraw/zinc/75/73/42/388757342.db2.gz PFRWGVSZYJQBIL-MNOVXSKESA-N 1 2 239.319 0.796 20 0 BCADLO CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000552929553 388740416 /nfs/dbraw/zinc/74/04/16/388740416.db2.gz ORQSPEDELSUWKA-JTQLQIEISA-N 1 2 237.303 0.286 20 0 BCADLO CC(C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267094 388742202 /nfs/dbraw/zinc/74/22/02/388742202.db2.gz JWMPYPWELFAUSU-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO CC(C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267094 388742204 /nfs/dbraw/zinc/74/22/04/388742204.db2.gz JWMPYPWELFAUSU-NSHDSACASA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H](C(=O)Nc1cnn(C)c1)[NH+]1CC(C)C1 ZINC000552967321 388742640 /nfs/dbraw/zinc/74/26/40/388742640.db2.gz MGWPFHHYDDVOQC-VIFPVBQESA-N 1 2 222.292 0.699 20 0 BCADLO CO[C@@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000553095143 388747476 /nfs/dbraw/zinc/74/74/76/388747476.db2.gz HWRNCOFQGUACFM-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H](C)O1 ZINC000251667702 388751238 /nfs/dbraw/zinc/75/12/38/388751238.db2.gz IJZSWJHFPRJFRR-AXFHLTTASA-N 1 2 244.335 0.199 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H](C)O1 ZINC000251667702 388751240 /nfs/dbraw/zinc/75/12/40/388751240.db2.gz IJZSWJHFPRJFRR-AXFHLTTASA-N 1 2 244.335 0.199 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCCOCC1CC1 ZINC000553195429 388752724 /nfs/dbraw/zinc/75/27/24/388752724.db2.gz UHNQREDCRLBNPZ-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCCOC1 ZINC000553194296 388752744 /nfs/dbraw/zinc/75/27/44/388752744.db2.gz PELMHDDLPZPUEA-JTQLQIEISA-N 1 2 237.303 0.898 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248942508 388700260 /nfs/dbraw/zinc/70/02/60/388700260.db2.gz CWDJVDXWHVLPGY-GZMMTYOYSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248942508 388700261 /nfs/dbraw/zinc/70/02/61/388700261.db2.gz CWDJVDXWHVLPGY-GZMMTYOYSA-N 1 2 225.292 0.300 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCn2nccc21 ZINC000552414655 388705202 /nfs/dbraw/zinc/70/52/02/388705202.db2.gz XNXSSVWYXSNOLU-UHFFFAOYSA-N 1 2 231.259 0.504 20 0 BCADLO COC(=O)C[N@H+](C)CCc1cnn(C)c1 ZINC000226167377 388707938 /nfs/dbraw/zinc/70/79/38/388707938.db2.gz HEBGSXSRNLEQHC-UHFFFAOYSA-N 1 2 211.265 0.067 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1cnn(C)c1 ZINC000226167377 388707943 /nfs/dbraw/zinc/70/79/43/388707943.db2.gz HEBGSXSRNLEQHC-UHFFFAOYSA-N 1 2 211.265 0.067 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)OC ZINC000249410769 388720423 /nfs/dbraw/zinc/72/04/23/388720423.db2.gz XUZUGSZJHCOUFU-KXUCPTDWSA-N 1 2 242.319 0.572 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)[C@@H]2C)CCO1 ZINC000249461233 388722665 /nfs/dbraw/zinc/72/26/65/388722665.db2.gz ZKQJODQWOOHZRU-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)[C@@H]2C)CCO1 ZINC000249461233 388722667 /nfs/dbraw/zinc/72/26/67/388722667.db2.gz ZKQJODQWOOHZRU-AGIUHOORSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCO[C@H](C)[C@H]2C)CCO1 ZINC000249461234 388723184 /nfs/dbraw/zinc/72/31/84/388723184.db2.gz ZKQJODQWOOHZRU-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCO[C@H](C)[C@H]2C)CCO1 ZINC000249461234 388723186 /nfs/dbraw/zinc/72/31/86/388723186.db2.gz ZKQJODQWOOHZRU-JHJVBQTASA-N 1 2 242.363 0.816 20 0 BCADLO Cc1nnnn1Cc1[nH+]ccn1C(F)F ZINC000095965607 388796585 /nfs/dbraw/zinc/79/65/85/388796585.db2.gz LUHUMPKEUILVFY-UHFFFAOYSA-N 1 2 214.179 0.621 20 0 BCADLO CC(C)[C@@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572540861 388796560 /nfs/dbraw/zinc/79/65/60/388796560.db2.gz LGHYBPKWRMPKGC-CYBMUJFWSA-N 1 2 242.363 0.851 20 0 BCADLO CN(CC[NH+]1CCCC1)Cc1n[nH]c(=O)[nH]1 ZINC000540350452 388804800 /nfs/dbraw/zinc/80/48/00/388804800.db2.gz PACCQKUQEDDKFP-UHFFFAOYSA-N 1 2 225.296 0.038 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](O)C1 ZINC000193208063 388808248 /nfs/dbraw/zinc/80/82/48/388808248.db2.gz YNYICPGZINKDCR-SNVBAGLBSA-N 1 2 238.291 0.049 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000230012107 388809543 /nfs/dbraw/zinc/80/95/43/388809543.db2.gz WSSRYHWGVOWSLP-SCZZXKLOSA-N 1 2 212.249 0.256 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@@H](CO)O1 ZINC000230012107 388809545 /nfs/dbraw/zinc/80/95/45/388809545.db2.gz WSSRYHWGVOWSLP-SCZZXKLOSA-N 1 2 212.249 0.256 20 0 BCADLO Cn1cc(C(=O)NCc2[nH]cc[nH+]2)c(C2CC2)n1 ZINC000553426262 388769873 /nfs/dbraw/zinc/76/98/73/388769873.db2.gz AQEZSDIWYKOXRI-UHFFFAOYSA-N 1 2 245.286 0.951 20 0 BCADLO CC[C@@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553493061 388778911 /nfs/dbraw/zinc/77/89/11/388778911.db2.gz PFGDWDLBMXZJDM-GFCCVEGCSA-N 1 2 228.336 0.605 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1nc[nH]n1 ZINC000553544637 388781131 /nfs/dbraw/zinc/78/11/31/388781131.db2.gz NANCPEUEGLKBJV-QMMMGPOBSA-N 1 2 237.307 0.324 20 0 BCADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1nnc[nH]1 ZINC000553544637 388781136 /nfs/dbraw/zinc/78/11/36/388781136.db2.gz NANCPEUEGLKBJV-QMMMGPOBSA-N 1 2 237.307 0.324 20 0 BCADLO CSCCCNC(=O)Cc1c[nH+]cn1C ZINC000554577946 388822434 /nfs/dbraw/zinc/82/24/34/388822434.db2.gz KUABEJHHPBKFCN-UHFFFAOYSA-N 1 2 227.333 0.832 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000540901931 388823919 /nfs/dbraw/zinc/82/39/19/388823919.db2.gz CBYQHFVSWJCNNQ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000540901931 388823924 /nfs/dbraw/zinc/82/39/24/388823924.db2.gz CBYQHFVSWJCNNQ-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ncccc2O)[C@H](C)C1 ZINC000554855348 388832989 /nfs/dbraw/zinc/83/29/89/388832989.db2.gz QEJAIRJBGYESFN-SNVBAGLBSA-N 1 2 249.314 0.840 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ncccc2O)[C@H](C)C1 ZINC000554855348 388832992 /nfs/dbraw/zinc/83/29/92/388832992.db2.gz QEJAIRJBGYESFN-SNVBAGLBSA-N 1 2 249.314 0.840 20 0 BCADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Cn1cccn1 ZINC000555222038 388842367 /nfs/dbraw/zinc/84/23/67/388842367.db2.gz LTQSQHBIOZICMW-NSHDSACASA-N 1 2 247.302 0.532 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000555523130 388852161 /nfs/dbraw/zinc/85/21/61/388852161.db2.gz MENAJTLHBMMJIY-MRVPVSSYSA-N 1 2 209.249 0.367 20 0 BCADLO O=C(COC[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000523693209 388853046 /nfs/dbraw/zinc/85/30/46/388853046.db2.gz ZTOGCURPEVPTTO-VIFPVBQESA-N 1 2 239.275 0.222 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000555669766 388858629 /nfs/dbraw/zinc/85/86/29/388858629.db2.gz KURVXIVOBSDAKZ-ZJUUUORDSA-N 1 2 245.319 0.003 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000555669766 388858631 /nfs/dbraw/zinc/85/86/31/388858631.db2.gz KURVXIVOBSDAKZ-ZJUUUORDSA-N 1 2 245.319 0.003 20 0 BCADLO CN1CC[C@@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000556085052 388866748 /nfs/dbraw/zinc/86/67/48/388866748.db2.gz KLRMZXOQXJFGCS-LLVKDONJSA-N 1 2 217.272 0.628 20 0 BCADLO CN1CC[C@@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000556085052 388866749 /nfs/dbraw/zinc/86/67/49/388866749.db2.gz KLRMZXOQXJFGCS-LLVKDONJSA-N 1 2 217.272 0.628 20 0 BCADLO Cc1nn(C)c(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000564645426 388880324 /nfs/dbraw/zinc/88/03/24/388880324.db2.gz OGTKWDNDQNOEJW-UHFFFAOYSA-N 1 2 247.302 0.550 20 0 BCADLO Cc1ccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)nc1 ZINC000261903428 388888333 /nfs/dbraw/zinc/88/83/33/388888333.db2.gz IAELUHXYDOMNEZ-KOLCDFICSA-N 1 2 235.287 0.705 20 0 BCADLO C[C@H]1SCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000649174362 388891625 /nfs/dbraw/zinc/89/16/25/388891625.db2.gz GPLMYPYMRPMPKW-RKDXNWHRSA-N 1 2 225.317 0.893 20 0 BCADLO COC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000564835216 388892547 /nfs/dbraw/zinc/89/25/47/388892547.db2.gz FXUDLBPQYKARGZ-APPZFPTMSA-N 1 2 243.332 0.636 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2nncc2C1 ZINC000564584252 388879182 /nfs/dbraw/zinc/87/91/82/388879182.db2.gz JGSOMMVPQLRQRT-ZYHUDNBSSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2nncc2C1 ZINC000564584252 388879186 /nfs/dbraw/zinc/87/91/86/388879186.db2.gz JGSOMMVPQLRQRT-ZYHUDNBSSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)O1 ZINC000565108663 388916547 /nfs/dbraw/zinc/91/65/47/388916547.db2.gz JBBKEONMJVJSEM-NXEZZACHSA-N 1 2 223.276 0.567 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565179520 388922707 /nfs/dbraw/zinc/92/27/07/388922707.db2.gz XDUPPDVSXAQSNH-UWVGGRQHSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565179520 388922709 /nfs/dbraw/zinc/92/27/09/388922709.db2.gz XDUPPDVSXAQSNH-UWVGGRQHSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565179518 388923290 /nfs/dbraw/zinc/92/32/90/388923290.db2.gz XDUPPDVSXAQSNH-NXEZZACHSA-N 1 2 239.319 0.987 20 0 BCADLO COC[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565179518 388923286 /nfs/dbraw/zinc/92/32/86/388923286.db2.gz XDUPPDVSXAQSNH-NXEZZACHSA-N 1 2 239.319 0.987 20 0 BCADLO O=C(Nc1cccc2c1CCN2)[C@H]1COCC[NH2+]1 ZINC000564988162 388904672 /nfs/dbraw/zinc/90/46/72/388904672.db2.gz UAUGHOKNESFTMN-GFCCVEGCSA-N 1 2 247.298 0.582 20 0 BCADLO Cc1cnccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000572571481 388967041 /nfs/dbraw/zinc/96/70/41/388967041.db2.gz MMUQZTNDHNUOIT-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000572571481 388967042 /nfs/dbraw/zinc/96/70/42/388967042.db2.gz MMUQZTNDHNUOIT-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC000565433795 388944724 /nfs/dbraw/zinc/94/47/24/388944724.db2.gz SBLOVYHKYVVNEN-UHFFFAOYSA-N 1 2 249.274 0.570 20 0 BCADLO C[C@H](CC(=O)N1CC[C@@](C)(O)C1)n1cc[nH+]c1 ZINC000566074133 388985801 /nfs/dbraw/zinc/98/58/01/388985801.db2.gz SNIQEPDBJFTQDI-ZYHUDNBSSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CCOC(C)C ZINC000566106721 388988353 /nfs/dbraw/zinc/98/83/53/388988353.db2.gz XTOLKRAJAFNFEE-GFCCVEGCSA-N 1 2 241.335 0.984 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)C[C@H]1CCCO1 ZINC000268552636 389002974 /nfs/dbraw/zinc/00/29/74/389002974.db2.gz ISGCEOSAXNMPDN-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)C[C@H]1CCCO1 ZINC000268552636 389002972 /nfs/dbraw/zinc/00/29/72/389002972.db2.gz ISGCEOSAXNMPDN-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)n1cccn1 ZINC000267062564 388997568 /nfs/dbraw/zinc/99/75/68/388997568.db2.gz AEHZTURPQPTYRX-VIFPVBQESA-N 1 2 233.275 0.792 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000267255176 388999766 /nfs/dbraw/zinc/99/97/66/388999766.db2.gz SIBFTNZNOLXOBG-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1cn[nH]c1C ZINC000267328686 388999853 /nfs/dbraw/zinc/99/98/53/388999853.db2.gz HHHYJOPMJPNQMI-LLVKDONJSA-N 1 2 227.308 0.595 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnsn1 ZINC000267189540 389000055 /nfs/dbraw/zinc/00/00/55/389000055.db2.gz JXHDSVPYDVVSFL-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO COCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492828847 533276131 /nfs/dbraw/zinc/27/61/31/533276131.db2.gz ZGTYWWJUOHJCOC-PLNGDYQASA-N 1 2 223.276 0.918 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)C(C)C ZINC000496201647 533338115 /nfs/dbraw/zinc/33/81/15/533338115.db2.gz XCVRJCKQQFRPOG-RKDXNWHRSA-N 1 2 244.291 0.224 20 0 BCADLO CO[C@@H](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493393538 533325955 /nfs/dbraw/zinc/32/59/55/533325955.db2.gz TYEPRRJBUYFIMW-NWALNABHSA-N 1 2 223.276 0.964 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](OC)C1CC1 ZINC000400234210 533477903 /nfs/dbraw/zinc/47/79/03/533477903.db2.gz IAHARWOVFBBJGG-SECBINFHSA-N 1 2 201.266 0.516 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](OC)C1CC1 ZINC000400234210 533477906 /nfs/dbraw/zinc/47/79/06/533477906.db2.gz IAHARWOVFBBJGG-SECBINFHSA-N 1 2 201.266 0.516 20 0 BCADLO CO[C@@H]1C[NH+](Cc2cscn2)C[C@H]1OC ZINC000487977561 533480411 /nfs/dbraw/zinc/48/04/11/533480411.db2.gz WAOWBTRKUKJQNE-NXEZZACHSA-N 1 2 228.317 0.989 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492767647 533578327 /nfs/dbraw/zinc/57/83/27/533578327.db2.gz NSRBFPMHQOYMGB-PULIVWKDSA-N 1 2 223.276 0.699 20 0 BCADLO C[C@@H](O)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493167079 533639929 /nfs/dbraw/zinc/63/99/29/533639929.db2.gz ORTFXBFYMIPTNM-MPJRPATESA-N 1 2 209.249 0.262 20 0 BCADLO Cc1nc(N2CCS(=O)(=O)C[C@H]2C)cc[nH+]1 ZINC000266196447 132185351 /nfs/dbraw/zinc/18/53/51/132185351.db2.gz CLGRRYCJYFEKIN-MRVPVSSYSA-N 1 2 241.316 0.408 20 0 BCADLO C[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277313812 132207114 /nfs/dbraw/zinc/20/71/14/132207114.db2.gz CRYPYPJPSVCFGA-VIFPVBQESA-N 1 2 238.291 0.106 20 0 BCADLO C[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277313812 132207116 /nfs/dbraw/zinc/20/71/16/132207116.db2.gz CRYPYPJPSVCFGA-VIFPVBQESA-N 1 2 238.291 0.106 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2CC[C@@H](C1)O2 ZINC000328776976 132228590 /nfs/dbraw/zinc/22/85/90/132228590.db2.gz FSPDCKPVAOUOGL-DTORHVGOSA-N 1 2 245.286 0.731 20 0 BCADLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057439603 132236806 /nfs/dbraw/zinc/23/68/06/132236806.db2.gz VTDZIHJOEVVTSX-JTQLQIEISA-N 1 2 249.314 0.388 20 0 BCADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CCO1 ZINC000183606051 132240622 /nfs/dbraw/zinc/24/06/22/132240622.db2.gz YTJCXNHOLAOYHQ-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CCO1 ZINC000183606051 132240625 /nfs/dbraw/zinc/24/06/25/132240625.db2.gz YTJCXNHOLAOYHQ-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO CCn1ccnc(N2CCn3cc[nH+]c3C2)c1=O ZINC000329163512 132244180 /nfs/dbraw/zinc/24/41/80/132244180.db2.gz GHOKAFOMCCZNOD-UHFFFAOYSA-N 1 2 245.286 0.480 20 0 BCADLO Cc1nnc(N2CCn3c[nH+]cc3C2)nc1C ZINC000329736505 132244543 /nfs/dbraw/zinc/24/45/43/132244543.db2.gz SOYZALRXKASUNV-UHFFFAOYSA-N 1 2 230.275 0.705 20 0 BCADLO Cc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc[nH+]1 ZINC000301247572 132252117 /nfs/dbraw/zinc/25/21/17/132252117.db2.gz QQCNSLMMIHGHBR-NXEZZACHSA-N 1 2 234.303 0.875 20 0 BCADLO COC[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000301404068 132253553 /nfs/dbraw/zinc/25/35/53/132253553.db2.gz FJHQKHIYIDMFEH-SNVBAGLBSA-N 1 2 223.276 0.637 20 0 BCADLO OC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000302793135 132266576 /nfs/dbraw/zinc/26/65/76/132266576.db2.gz NBMQFEINMUOBTQ-MNOVXSKESA-N 1 2 249.314 0.534 20 0 BCADLO Cc1nc(N2CCn3cnnc3[C@@H]2C)cc[nH+]1 ZINC000357741665 132274965 /nfs/dbraw/zinc/27/49/65/132274965.db2.gz DCOMQFINLWGQNO-QMMMGPOBSA-N 1 2 230.275 0.958 20 0 BCADLO O=C1C[N@H+](CCCO)CCN1c1ccccc1 ZINC000360609951 132278832 /nfs/dbraw/zinc/27/88/32/132278832.db2.gz HFDLNTGYOXBKQK-UHFFFAOYSA-N 1 2 234.299 0.718 20 0 BCADLO O=C1C[N@@H+](CCCO)CCN1c1ccccc1 ZINC000360609951 132278833 /nfs/dbraw/zinc/27/88/33/132278833.db2.gz HFDLNTGYOXBKQK-UHFFFAOYSA-N 1 2 234.299 0.718 20 0 BCADLO Cc1cnc2c(c1)NC(=O)CN2C(=O)C[NH+](C)C ZINC000367701760 132282307 /nfs/dbraw/zinc/28/23/07/132282307.db2.gz UACKGENELYGFPY-UHFFFAOYSA-N 1 2 248.286 0.237 20 0 BCADLO Cc1nc(N2CC[C@@H]3C(=O)NC[C@H]3C2)cc[nH+]1 ZINC000368629139 132283454 /nfs/dbraw/zinc/28/34/54/132283454.db2.gz XASMOZIKPKUIPR-UWVGGRQHSA-N 1 2 232.287 0.357 20 0 BCADLO Cc1nc(N2CC[C@H]3C(=O)NC[C@H]3C2)cc[nH+]1 ZINC000368629140 132283617 /nfs/dbraw/zinc/28/36/17/132283617.db2.gz XASMOZIKPKUIPR-VHSXEESVSA-N 1 2 232.287 0.357 20 0 BCADLO Nc1[nH+]cnc(N2CCO[C@@H]3C[C@@H]32)c1Cl ZINC000308914677 132323046 /nfs/dbraw/zinc/32/30/46/132323046.db2.gz AYBYMNWSTPEUMA-NTSWFWBYSA-N 1 2 226.667 0.690 20 0 BCADLO CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000023182031 132332906 /nfs/dbraw/zinc/33/29/06/132332906.db2.gz XWYIDSIDPQVPLP-UHFFFAOYSA-N 1 2 235.287 0.554 20 0 BCADLO NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000067949318 132390585 /nfs/dbraw/zinc/39/05/85/132390585.db2.gz LEEUBCVGRSFCIL-VIFPVBQESA-N 1 2 205.261 0.783 20 0 BCADLO C[C@@H]1C(=O)NCCN1c1nc[nH+]c(N)c1Cl ZINC000235671473 132457240 /nfs/dbraw/zinc/45/72/40/132457240.db2.gz KBYMAILBUGKHKG-RXMQYKEDSA-N 1 2 241.682 0.037 20 0 BCADLO Cc1cc(NC[C@@H]2CCCS2(=O)=O)nc[nH+]1 ZINC000087971988 133541600 /nfs/dbraw/zinc/54/16/00/133541600.db2.gz PLUYUHQXHHHXMX-VIFPVBQESA-N 1 2 241.316 0.774 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1C ZINC000334252958 133605608 /nfs/dbraw/zinc/60/56/08/133605608.db2.gz LNAHHEUEDOZZLG-UHFFFAOYSA-N 1 2 248.330 0.649 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)NCC2CC2)n1 ZINC000349952987 133927038 /nfs/dbraw/zinc/92/70/38/133927038.db2.gz SJZIPPDJQFYSHT-SSDOTTSWSA-N 1 2 238.291 0.555 20 0 BCADLO c1nc2n(n1)CCN(c1cccc[nH+]1)C2 ZINC000351547122 133974032 /nfs/dbraw/zinc/97/40/32/133974032.db2.gz YJHYHYBOJUDBBR-UHFFFAOYSA-N 1 2 201.233 0.693 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000351920615 134006317 /nfs/dbraw/zinc/00/63/17/134006317.db2.gz DLJAXDMUXPAYQA-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000351920615 134006318 /nfs/dbraw/zinc/00/63/18/134006318.db2.gz DLJAXDMUXPAYQA-NWDGAFQWSA-N 1 2 241.379 0.879 20 0 BCADLO C[C@H]1C[N@H+](CCCS(C)(=O)=O)[C@@H](C)CN1C ZINC000351921501 134006425 /nfs/dbraw/zinc/00/64/25/134006425.db2.gz QHTWOHHFAPSJSX-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@H]1C[N@@H+](CCCS(C)(=O)=O)[C@@H](C)CN1C ZINC000351921501 134006426 /nfs/dbraw/zinc/00/64/26/134006426.db2.gz QHTWOHHFAPSJSX-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H](C)[N@H+]1C ZINC000335928732 134009838 /nfs/dbraw/zinc/00/98/38/134009838.db2.gz SRTFGMWVAZIBDQ-DTORHVGOSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H](C)[N@@H+]1C ZINC000335928732 134009839 /nfs/dbraw/zinc/00/98/39/134009839.db2.gz SRTFGMWVAZIBDQ-DTORHVGOSA-N 1 2 232.349 0.503 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)C ZINC000335938150 134013193 /nfs/dbraw/zinc/01/31/93/134013193.db2.gz ARESCROSQPLWSM-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC(C)C ZINC000335938150 134013194 /nfs/dbraw/zinc/01/31/94/134013194.db2.gz ARESCROSQPLWSM-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CCn1cc[nH+]c1CN1CC[S@@](=O)[C@H](C)C1 ZINC000335944798 134019373 /nfs/dbraw/zinc/01/93/73/134019373.db2.gz LFPMAEFHTRRMBV-QLJPJBMISA-N 1 2 241.360 0.856 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000335958978 134023880 /nfs/dbraw/zinc/02/38/80/134023880.db2.gz MCPJAELLKMULMF-IONNQARKSA-N 1 2 204.245 0.707 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@](F)(CO)C1 ZINC000335958978 134023881 /nfs/dbraw/zinc/02/38/81/134023881.db2.gz MCPJAELLKMULMF-IONNQARKSA-N 1 2 204.245 0.707 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnns1 ZINC000352016717 134036681 /nfs/dbraw/zinc/03/66/81/134036681.db2.gz ZFXQENPMTDYVSW-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnns1 ZINC000352016717 134036682 /nfs/dbraw/zinc/03/66/82/134036682.db2.gz ZFXQENPMTDYVSW-JGVFFNPUSA-N 1 2 240.332 0.703 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000335996811 134042437 /nfs/dbraw/zinc/04/24/37/134042437.db2.gz PFUMLIDHMRPYEU-LDYMZIIASA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000335996811 134042438 /nfs/dbraw/zinc/04/24/38/134042438.db2.gz PFUMLIDHMRPYEU-LDYMZIIASA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000336043754 134062887 /nfs/dbraw/zinc/06/28/87/134062887.db2.gz KZVNUABECNAUBV-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000336043754 134062888 /nfs/dbraw/zinc/06/28/88/134062888.db2.gz KZVNUABECNAUBV-WDEREUQCSA-N 1 2 226.320 0.718 20 0 BCADLO C[NH+]1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000336073305 134072566 /nfs/dbraw/zinc/07/25/66/134072566.db2.gz VXSBYTZSAZNCIC-UHFFFAOYSA-N 1 2 246.376 0.754 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)C2CC(=O)C2)C1 ZINC000336134652 134095419 /nfs/dbraw/zinc/09/54/19/134095419.db2.gz YKSMUQTWJFOGHR-UHFFFAOYSA-N 1 2 210.277 0.174 20 0 BCADLO CC1CC[NH+](Cc2nn(C)c(=O)[nH]2)CC1 ZINC000336147381 134102607 /nfs/dbraw/zinc/10/26/07/134102607.db2.gz KPXFDTSJDCTAGV-UHFFFAOYSA-N 1 2 210.281 0.340 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ccc(C(N)=O)o1 ZINC000336161293 134111139 /nfs/dbraw/zinc/11/11/39/134111139.db2.gz BYYQSQMMVVWOJR-UHFFFAOYSA-N 1 2 245.238 0.756 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCNC(=O)C1(C)C ZINC000336168270 134113961 /nfs/dbraw/zinc/11/39/61/134113961.db2.gz YWFZOWKWVSXTMD-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CC[C@H](F)C[N@H+]1CCNC(=O)C1(C)C ZINC000336168270 134113962 /nfs/dbraw/zinc/11/39/62/134113962.db2.gz YWFZOWKWVSXTMD-QMMMGPOBSA-N 1 2 202.273 0.945 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCOC1 ZINC000336179826 134118002 /nfs/dbraw/zinc/11/80/02/134118002.db2.gz DDZSIODOPSVEBW-LLVKDONJSA-N 1 2 223.276 0.795 20 0 BCADLO O=C1NCC[C@@H]1[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336180210 134119351 /nfs/dbraw/zinc/11/93/51/134119351.db2.gz JOSRACFCEZZPJO-LBPRGKRZSA-N 1 2 232.283 0.639 20 0 BCADLO O=C1NCC[C@@H]1[N@H+]1CCc2ccc(O)cc2C1 ZINC000336180210 134119352 /nfs/dbraw/zinc/11/93/52/134119352.db2.gz JOSRACFCEZZPJO-LBPRGKRZSA-N 1 2 232.283 0.639 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171971475 134263676 /nfs/dbraw/zinc/26/36/76/134263676.db2.gz RAKNBLTYSPQKTD-MNOVXSKESA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171971475 134263677 /nfs/dbraw/zinc/26/36/77/134263677.db2.gz RAKNBLTYSPQKTD-MNOVXSKESA-N 1 2 228.336 0.725 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000172014069 134264439 /nfs/dbraw/zinc/26/44/39/134264439.db2.gz HDEHXOTWUQJBCQ-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1ccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000172014069 134264440 /nfs/dbraw/zinc/26/44/40/134264440.db2.gz HDEHXOTWUQJBCQ-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CSCCC[NH+]1CCS(=O)CC1 ZINC000173722925 134274921 /nfs/dbraw/zinc/27/49/21/134274921.db2.gz VHCBMHUDTFQBRM-UHFFFAOYSA-N 1 2 207.364 0.804 20 0 BCADLO c1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)no1 ZINC000173942359 134276831 /nfs/dbraw/zinc/27/68/31/134276831.db2.gz JALURBROQNWMOH-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)no1 ZINC000173942359 134276832 /nfs/dbraw/zinc/27/68/32/134276832.db2.gz JALURBROQNWMOH-GFCCVEGCSA-N 1 2 237.303 0.581 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)OC(C)C ZINC000173777643 134277767 /nfs/dbraw/zinc/27/77/67/134277767.db2.gz MGHCJIKLUJLNNI-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)OC(C)C ZINC000173777643 134277768 /nfs/dbraw/zinc/27/77/68/134277768.db2.gz MGHCJIKLUJLNNI-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000175917808 134288537 /nfs/dbraw/zinc/28/85/37/134288537.db2.gz RJFUSCAHLXWERK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000175917808 134288538 /nfs/dbraw/zinc/28/85/38/134288538.db2.gz RJFUSCAHLXWERK-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000177084694 134297101 /nfs/dbraw/zinc/29/71/01/134297101.db2.gz OGXVEASERDESAB-ONGXEEELSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000177084694 134297102 /nfs/dbraw/zinc/29/71/02/134297102.db2.gz OGXVEASERDESAB-ONGXEEELSA-N 1 2 235.287 0.329 20 0 BCADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCO ZINC000177721617 134301532 /nfs/dbraw/zinc/30/15/32/134301532.db2.gz RKGNYKQLXDHQHM-QMMMGPOBSA-N 1 2 241.316 0.538 20 0 BCADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCO ZINC000177721617 134301533 /nfs/dbraw/zinc/30/15/33/134301533.db2.gz RKGNYKQLXDHQHM-QMMMGPOBSA-N 1 2 241.316 0.538 20 0 BCADLO CC(C)[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178615471 134311991 /nfs/dbraw/zinc/31/19/91/134311991.db2.gz WWCIYYXPXVISFP-NEPJUHHUSA-N 1 2 239.363 0.395 20 0 BCADLO Cc1occc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178650087 134312418 /nfs/dbraw/zinc/31/24/18/134312418.db2.gz DHCHZCQBQBTUSV-NSHDSACASA-N 1 2 249.314 0.318 20 0 BCADLO O=C(CC1CCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178649062 134312660 /nfs/dbraw/zinc/31/26/60/134312660.db2.gz KSKBJFPALOKTLM-LBPRGKRZSA-N 1 2 237.347 0.293 20 0 BCADLO CO[C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965849 134313824 /nfs/dbraw/zinc/31/38/24/134313824.db2.gz IMFMLYGSDOMABS-QWRGUYRKSA-N 1 2 249.314 0.811 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000178813422 134315444 /nfs/dbraw/zinc/31/54/44/134315444.db2.gz BEJXCWZVQOPICJ-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000178813422 134315445 /nfs/dbraw/zinc/31/54/45/134315445.db2.gz BEJXCWZVQOPICJ-SNVBAGLBSA-N 1 2 229.276 0.229 20 0 BCADLO C[C@H](O)[C@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000221172217 134317183 /nfs/dbraw/zinc/31/71/83/134317183.db2.gz RIGPEEKMJPRJKL-UWVGGRQHSA-N 1 2 246.376 0.263 20 0 BCADLO c1ncn([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000179466607 134320836 /nfs/dbraw/zinc/32/08/36/134320836.db2.gz XOIHMKOWVKRMLC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000179466607 134320837 /nfs/dbraw/zinc/32/08/37/134320837.db2.gz XOIHMKOWVKRMLC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000179466607 134320838 /nfs/dbraw/zinc/32/08/38/134320838.db2.gz XOIHMKOWVKRMLC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO c1ncn([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000179466607 134320839 /nfs/dbraw/zinc/32/08/39/134320839.db2.gz XOIHMKOWVKRMLC-LLVKDONJSA-N 1 2 232.291 0.838 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000179582061 134322202 /nfs/dbraw/zinc/32/22/02/134322202.db2.gz PNFBMEOSRFMELY-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000179582061 134322203 /nfs/dbraw/zinc/32/22/03/134322203.db2.gz PNFBMEOSRFMELY-NSHDSACASA-N 1 2 236.319 0.914 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180416719 134327167 /nfs/dbraw/zinc/32/71/67/134327167.db2.gz NNNKNYBZSPUMCU-UHFFFAOYSA-N 1 2 237.307 0.250 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180416719 134327168 /nfs/dbraw/zinc/32/71/68/134327168.db2.gz NNNKNYBZSPUMCU-UHFFFAOYSA-N 1 2 237.307 0.250 20 0 BCADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000221801579 134328075 /nfs/dbraw/zinc/32/80/75/134328075.db2.gz HYTUFLHNJRLODB-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181517320 134337518 /nfs/dbraw/zinc/33/75/18/134337518.db2.gz BKVNRBBWODSHNW-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181517320 134337519 /nfs/dbraw/zinc/33/75/19/134337519.db2.gz BKVNRBBWODSHNW-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182727160 134347912 /nfs/dbraw/zinc/34/79/12/134347912.db2.gz WWQCONDDDOCQPG-NXEZZACHSA-N 1 2 240.307 0.339 20 0 BCADLO COC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182727160 134347913 /nfs/dbraw/zinc/34/79/13/134347913.db2.gz WWQCONDDDOCQPG-NXEZZACHSA-N 1 2 240.307 0.339 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)C(F)(F)F ZINC000183925377 134357633 /nfs/dbraw/zinc/35/76/33/134357633.db2.gz TXSCKHFSIDWYFO-ZETCQYMHSA-N 1 2 242.241 0.320 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)C[C@H](O)C(F)(F)F ZINC000183925377 134357634 /nfs/dbraw/zinc/35/76/34/134357634.db2.gz TXSCKHFSIDWYFO-ZETCQYMHSA-N 1 2 242.241 0.320 20 0 BCADLO Cc1nn(C)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000226639346 134368387 /nfs/dbraw/zinc/36/83/87/134368387.db2.gz XADSVIBIXSTPNH-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000185257696 134376006 /nfs/dbraw/zinc/37/60/06/134376006.db2.gz TUPKQSGXURRMDW-QMMMGPOBSA-N 1 2 226.280 0.092 20 0 BCADLO CN(C)c1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000185257696 134376007 /nfs/dbraw/zinc/37/60/07/134376007.db2.gz TUPKQSGXURRMDW-QMMMGPOBSA-N 1 2 226.280 0.092 20 0 BCADLO CCCCc1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000061709205 134393236 /nfs/dbraw/zinc/39/32/36/134393236.db2.gz VYQOFKXHSJNCKH-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO CCCCc1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000061709205 134393238 /nfs/dbraw/zinc/39/32/38/134393238.db2.gz VYQOFKXHSJNCKH-VIFPVBQESA-N 1 2 225.292 0.979 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@]1(OC)CCOC1)C1CC1 ZINC000231204185 134539733 /nfs/dbraw/zinc/53/97/33/134539733.db2.gz WBTVWDJKVJLNPA-JQWIXIFHSA-N 1 2 243.303 0.333 20 0 BCADLO CC[C@@H](C)[C@@H]([NH2+]CCCO)C(=O)OC ZINC000232692229 134554557 /nfs/dbraw/zinc/55/45/57/134554557.db2.gz YMCOUEWMWPCSAA-RKDXNWHRSA-N 1 2 203.282 0.546 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc[nH]c1=O ZINC000048623820 134623365 /nfs/dbraw/zinc/62/33/65/134623365.db2.gz DUPHPXRJIKCUIX-UHFFFAOYSA-N 1 2 232.243 0.001 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(=O)[nH]c1 ZINC000070980992 134927078 /nfs/dbraw/zinc/92/70/78/134927078.db2.gz VQQZTKUCBVOWEL-UHFFFAOYSA-N 1 2 232.243 0.370 20 0 BCADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)n1cccn1 ZINC000070980489 134927636 /nfs/dbraw/zinc/92/76/36/134927636.db2.gz VUHYXSFAMHLUHL-SECBINFHSA-N 1 2 233.275 0.826 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCOC1 ZINC000070650802 135002499 /nfs/dbraw/zinc/00/24/99/135002499.db2.gz GFYNAEQQFWTBEK-SECBINFHSA-N 1 2 223.276 0.795 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1cccn1 ZINC000070650823 135002539 /nfs/dbraw/zinc/00/25/39/135002539.db2.gz WLOZYFSAIYJVNL-UHFFFAOYSA-N 1 2 219.248 0.265 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(C)c1 ZINC000070650813 135002643 /nfs/dbraw/zinc/00/26/43/135002643.db2.gz XVCSQUGOHUXVEV-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000070651443 135003267 /nfs/dbraw/zinc/00/32/67/135003267.db2.gz TZVKHVZORWZQOO-UHFFFAOYSA-N 1 2 202.217 0.735 20 0 BCADLO CC[C@](COC)([NH2+]CC1CC1)C(=O)OC ZINC000070657064 135005258 /nfs/dbraw/zinc/00/52/58/135005258.db2.gz ONTJKYNSGRPOGU-LLVKDONJSA-N 1 2 215.293 0.954 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)C[C@H](C)O ZINC000248825188 135022356 /nfs/dbraw/zinc/02/23/56/135022356.db2.gz GRISYRYEZAIEAE-JGVFFNPUSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)C[C@H](C)O ZINC000248825188 135022358 /nfs/dbraw/zinc/02/23/58/135022358.db2.gz GRISYRYEZAIEAE-JGVFFNPUSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249373115 135037306 /nfs/dbraw/zinc/03/73/06/135037306.db2.gz FHDZJNNKIWVHCY-DTWKUNHWSA-N 1 2 222.292 0.463 20 0 BCADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249373115 135037309 /nfs/dbraw/zinc/03/73/09/135037309.db2.gz FHDZJNNKIWVHCY-DTWKUNHWSA-N 1 2 222.292 0.463 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251135503 135065442 /nfs/dbraw/zinc/06/54/42/135065442.db2.gz HRBQBAKULITRJP-FXBDTBDDSA-N 1 2 213.277 0.563 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000086594139 135091123 /nfs/dbraw/zinc/09/11/23/135091123.db2.gz RSASIEQPEMHYBE-QMMMGPOBSA-N 1 2 231.292 0.727 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765845 135096577 /nfs/dbraw/zinc/09/65/77/135096577.db2.gz XILWXBCPULQLSY-MRVPVSSYSA-N 1 2 241.316 0.863 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnc(N)s1 ZINC000086765845 135096579 /nfs/dbraw/zinc/09/65/79/135096579.db2.gz XILWXBCPULQLSY-MRVPVSSYSA-N 1 2 241.316 0.863 20 0 BCADLO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)nc[nH+]1 ZINC000252845587 135112716 /nfs/dbraw/zinc/11/27/16/135112716.db2.gz CIDSLYHFXKXVQP-DCAQKATOSA-N 1 2 219.288 0.992 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCCO1 ZINC000087230622 135113646 /nfs/dbraw/zinc/11/36/46/135113646.db2.gz WNVSBNNFLCERSZ-SNVBAGLBSA-N 1 2 209.249 0.595 20 0 BCADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCCO1 ZINC000087230622 135113647 /nfs/dbraw/zinc/11/36/47/135113647.db2.gz WNVSBNNFLCERSZ-SNVBAGLBSA-N 1 2 209.249 0.595 20 0 BCADLO Cc1nc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc[nH+]1 ZINC000252869018 135113975 /nfs/dbraw/zinc/11/39/75/135113975.db2.gz NONSYIMDTBUQGV-GARJFASQSA-N 1 2 219.288 0.992 20 0 BCADLO CCOC(=O)COCC[N@@H+]1CCOC[C@H]1C ZINC000087256382 135115971 /nfs/dbraw/zinc/11/59/71/135115971.db2.gz GXCVRXAQYLYXHT-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)COCC[N@H+]1CCOC[C@H]1C ZINC000087256382 135115974 /nfs/dbraw/zinc/11/59/74/135115974.db2.gz GXCVRXAQYLYXHT-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1csnn1 ZINC000078739735 135148310 /nfs/dbraw/zinc/14/83/10/135148310.db2.gz FYJOMOQUWNHBNU-UHFFFAOYSA-N 1 2 209.234 0.191 20 0 BCADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)[O-] ZINC000261531287 135159765 /nfs/dbraw/zinc/15/97/65/135159765.db2.gz FZLWKGQNOANPNW-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)[O-] ZINC000261531287 135159767 /nfs/dbraw/zinc/15/97/67/135159767.db2.gz FZLWKGQNOANPNW-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[O-] ZINC000261531287 135159769 /nfs/dbraw/zinc/15/97/69/135159769.db2.gz FZLWKGQNOANPNW-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[O-] ZINC000261531287 135159770 /nfs/dbraw/zinc/15/97/70/135159770.db2.gz FZLWKGQNOANPNW-ZJUUUORDSA-N 1 2 212.293 0.630 20 0 BCADLO O=C(Cc1cccnc1)NCc1c[nH+]c[nH]1 ZINC000084081833 135181496 /nfs/dbraw/zinc/18/14/96/135181496.db2.gz DETWMNQGNYQAEF-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO O=C(Cc1cccnc1)NCc1c[nH]c[nH+]1 ZINC000084081833 135181497 /nfs/dbraw/zinc/18/14/97/135181497.db2.gz DETWMNQGNYQAEF-UHFFFAOYSA-N 1 2 216.244 0.664 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000084081641 135181782 /nfs/dbraw/zinc/18/17/82/135181782.db2.gz DRDDRYQBUJKYOG-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000084081641 135181784 /nfs/dbraw/zinc/18/17/84/135181784.db2.gz DRDDRYQBUJKYOG-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000084081619 135182212 /nfs/dbraw/zinc/18/22/12/135182212.db2.gz KGPPXSFXNMOLBL-SSDOTTSWSA-N 1 2 211.290 0.779 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000084081619 135182214 /nfs/dbraw/zinc/18/22/14/135182214.db2.gz KGPPXSFXNMOLBL-SSDOTTSWSA-N 1 2 211.290 0.779 20 0 BCADLO Cc1nc(NCCCn2ccnn2)cc[nH+]1 ZINC000163904554 135208647 /nfs/dbraw/zinc/20/86/47/135208647.db2.gz SHQPEDBXHUHYFS-UHFFFAOYSA-N 1 2 218.264 0.879 20 0 BCADLO O[C@H](C[NH+]1CC(O)(C2CC2)C1)C(F)(F)F ZINC000084377202 135215946 /nfs/dbraw/zinc/21/59/46/135215946.db2.gz JMBMXZIENURGTE-SSDOTTSWSA-N 1 2 225.210 0.366 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000342303735 135258159 /nfs/dbraw/zinc/25/81/59/135258159.db2.gz UTXCVQISNQNMQL-CYBMUJFWSA-N 1 2 246.314 0.979 20 0 BCADLO CNC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000342352283 135261539 /nfs/dbraw/zinc/26/15/39/135261539.db2.gz HNXRYHGVIAICQM-JTQLQIEISA-N 1 2 249.318 0.288 20 0 BCADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000342352283 135261541 /nfs/dbraw/zinc/26/15/41/135261541.db2.gz HNXRYHGVIAICQM-JTQLQIEISA-N 1 2 249.318 0.288 20 0 BCADLO C[C@H]([NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000261916972 135262356 /nfs/dbraw/zinc/26/23/56/135262356.db2.gz XDFHTLVCBWGZIS-LURJTMIESA-N 1 2 219.248 0.634 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC1CC1 ZINC000342383705 135269252 /nfs/dbraw/zinc/26/92/52/135269252.db2.gz UXVPGRHWAMYWDH-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC1CC1 ZINC000342383705 135269253 /nfs/dbraw/zinc/26/92/53/135269253.db2.gz UXVPGRHWAMYWDH-LLVKDONJSA-N 1 2 226.320 0.576 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)OC ZINC000342406418 135272778 /nfs/dbraw/zinc/27/27/78/135272778.db2.gz WSNCRCISCJOEEX-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)OC ZINC000342406418 135272779 /nfs/dbraw/zinc/27/27/79/135272779.db2.gz WSNCRCISCJOEEX-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cn1 ZINC000342639673 135299315 /nfs/dbraw/zinc/29/93/15/135299315.db2.gz OHFRYNAPHLZLQY-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cn1 ZINC000342639673 135299317 /nfs/dbraw/zinc/29/93/17/135299317.db2.gz OHFRYNAPHLZLQY-QFYYESIMSA-N 1 2 241.360 0.984 20 0 BCADLO CCN(CC(N)=O)Cc1[nH+]cc(C)n1C ZINC000342702002 135307594 /nfs/dbraw/zinc/30/75/94/135307594.db2.gz CXEVFYMTNUXZFW-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO Cc1c[nH+]c(CN2CCN3C(=O)CC[C@@H]3C2)n1C ZINC000342781073 135317617 /nfs/dbraw/zinc/31/76/17/135317617.db2.gz MWSOKWZKUHREPR-LLVKDONJSA-N 1 2 248.330 0.535 20 0 BCADLO Cc1c[nH+]c(CN(CC(N)=O)CC(C)C)n1C ZINC000342798680 135320475 /nfs/dbraw/zinc/32/04/75/135320475.db2.gz XHSIIYHGDNGKFB-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO CCN(CCCO)Cc1[nH+]cc(C)n1C ZINC000342799457 135320529 /nfs/dbraw/zinc/32/05/29/135320529.db2.gz OCIAZPDYMCUCTQ-UHFFFAOYSA-N 1 2 211.309 0.933 20 0 BCADLO Cc1cnc(C[N@H+](C)CC2(CO)CC2)n1C ZINC000342801325 135321894 /nfs/dbraw/zinc/32/18/94/135321894.db2.gz XJMKVAXSSXQTML-UHFFFAOYSA-N 1 2 223.320 0.933 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC2(CO)CC2)n1C ZINC000342801325 135321896 /nfs/dbraw/zinc/32/18/96/135321896.db2.gz XJMKVAXSSXQTML-UHFFFAOYSA-N 1 2 223.320 0.933 20 0 BCADLO Cc1c[nH+]c(CN(C)CC2(CO)CC2)n1C ZINC000342801325 135321898 /nfs/dbraw/zinc/32/18/98/135321898.db2.gz XJMKVAXSSXQTML-UHFFFAOYSA-N 1 2 223.320 0.933 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262894914 135323337 /nfs/dbraw/zinc/32/33/37/135323337.db2.gz CXWWFCUZFPAPAZ-RKDXNWHRSA-N 1 2 248.273 0.621 20 0 BCADLO CCc1nc(C[N@H+](C)CC2CC(O)C2)no1 ZINC000084454055 135324732 /nfs/dbraw/zinc/32/47/32/135324732.db2.gz SNLWHRQAUQCWJJ-UHFFFAOYSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)CC2CC(O)C2)no1 ZINC000084454055 135324734 /nfs/dbraw/zinc/32/47/34/135324734.db2.gz SNLWHRQAUQCWJJ-UHFFFAOYSA-N 1 2 225.292 0.835 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000262991421 135325994 /nfs/dbraw/zinc/32/59/94/135325994.db2.gz NSDSAHKEWGIJQC-HTQZYQBOSA-N 1 2 234.246 0.231 20 0 BCADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CCOC1 ZINC000263012123 135326189 /nfs/dbraw/zinc/32/61/89/135326189.db2.gz PUIJQVLNXGJCCL-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1[nH+]cc(C)n1C ZINC000342773249 135327020 /nfs/dbraw/zinc/32/70/20/135327020.db2.gz BSJAXAJZKYDBEA-JTQLQIEISA-N 1 2 237.303 0.866 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](CO)OC[C@H]2C)n1C ZINC000342775639 135327628 /nfs/dbraw/zinc/32/76/28/135327628.db2.gz HPUJENUKTRKJRE-GHMZBOCLSA-N 1 2 239.319 0.310 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC1CCC1 ZINC000334225413 135329645 /nfs/dbraw/zinc/32/96/45/135329645.db2.gz AVXIKDOVBHLELT-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1CCC1 ZINC000334225413 135329647 /nfs/dbraw/zinc/32/96/47/135329647.db2.gz AVXIKDOVBHLELT-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO Cn1cc[nH+]c1CN1CC(=O)NCC1(C)C ZINC000334276830 135332552 /nfs/dbraw/zinc/33/25/52/135332552.db2.gz SGVYYKWWAQZFNP-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263203985 135339149 /nfs/dbraw/zinc/33/91/49/135339149.db2.gz JMFHRSLISYCQEL-IWSPIJDZSA-N 1 2 248.273 0.667 20 0 BCADLO CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263269597 135343848 /nfs/dbraw/zinc/34/38/48/135343848.db2.gz RZHXWQBEDGKSIF-DTWKUNHWSA-N 1 2 248.273 0.621 20 0 BCADLO CC(C)CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334310430 135350641 /nfs/dbraw/zinc/35/06/41/135350641.db2.gz KSEOCNWUTPOCBJ-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334310430 135350643 /nfs/dbraw/zinc/35/06/43/135350643.db2.gz KSEOCNWUTPOCBJ-RYUDHWBXSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1nocc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334329095 135354383 /nfs/dbraw/zinc/35/43/83/135354383.db2.gz NOHGSWNWFPKRRM-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1nocc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334329095 135354384 /nfs/dbraw/zinc/35/43/84/135354384.db2.gz NOHGSWNWFPKRRM-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334334803 135362079 /nfs/dbraw/zinc/36/20/79/135362079.db2.gz YPVYSJUWQNCENU-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334334803 135362081 /nfs/dbraw/zinc/36/20/81/135362081.db2.gz YPVYSJUWQNCENU-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO Cc1cc(CCNC(=O)Cn2cc[nH+]c2)on1 ZINC000343156908 135362839 /nfs/dbraw/zinc/36/28/39/135362839.db2.gz TXUKWSAIEOJNQY-UHFFFAOYSA-N 1 2 234.259 0.538 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[S@@]1=O ZINC000334344880 135365959 /nfs/dbraw/zinc/36/59/59/135365959.db2.gz OFZRNPFYPWDWGI-QFYYESIMSA-N 1 2 241.360 0.415 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[S@@]1=O ZINC000334344880 135365960 /nfs/dbraw/zinc/36/59/60/135365960.db2.gz OFZRNPFYPWDWGI-QFYYESIMSA-N 1 2 241.360 0.415 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334347282 135366286 /nfs/dbraw/zinc/36/62/86/135366286.db2.gz REMCDKGYROJLCB-QWRGUYRKSA-N 1 2 226.320 0.574 20 0 BCADLO CC(C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334347282 135366287 /nfs/dbraw/zinc/36/62/87/135366287.db2.gz REMCDKGYROJLCB-QWRGUYRKSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCCC1 ZINC000334393201 135385652 /nfs/dbraw/zinc/38/56/52/135385652.db2.gz ZOJJLAYFSFKEHX-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCCC1 ZINC000334393201 135385654 /nfs/dbraw/zinc/38/56/54/135385654.db2.gz ZOJJLAYFSFKEHX-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081561620 135387788 /nfs/dbraw/zinc/38/77/88/135387788.db2.gz COZQSAHMXMZOKK-LLVKDONJSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334403439 135391494 /nfs/dbraw/zinc/39/14/94/135391494.db2.gz DUYRBPOSOSLUTN-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO CC(C)[C@@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334411038 135392588 /nfs/dbraw/zinc/39/25/88/135392588.db2.gz JZGMPVWUMHMPRJ-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000334406431 135393902 /nfs/dbraw/zinc/39/39/02/135393902.db2.gz HWGOTYVFVUCYPZ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000334406431 135393903 /nfs/dbraw/zinc/39/39/03/135393903.db2.gz HWGOTYVFVUCYPZ-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CCc1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000078778889 135394568 /nfs/dbraw/zinc/39/45/68/135394568.db2.gz MPMIPFXKZZJAIK-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000078778889 135394570 /nfs/dbraw/zinc/39/45/70/135394570.db2.gz MPMIPFXKZZJAIK-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2CO)o1 ZINC000334412950 135396499 /nfs/dbraw/zinc/39/64/99/135396499.db2.gz MCGYMWOVKXCTML-VIFPVBQESA-N 1 2 228.317 0.893 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2CO)o1 ZINC000334412950 135396501 /nfs/dbraw/zinc/39/65/01/135396501.db2.gz MCGYMWOVKXCTML-VIFPVBQESA-N 1 2 228.317 0.893 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000334419364 135399185 /nfs/dbraw/zinc/39/91/85/135399185.db2.gz QBSVAJBDBTWYNW-SECBINFHSA-N 1 2 213.277 0.660 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000334419364 135399186 /nfs/dbraw/zinc/39/91/86/135399186.db2.gz QBSVAJBDBTWYNW-SECBINFHSA-N 1 2 213.277 0.660 20 0 BCADLO Cc1ccc2[nH+]cc(CN3CC(=O)N(C)C3)n2c1 ZINC000334433657 135406270 /nfs/dbraw/zinc/40/62/70/135406270.db2.gz XTSKPGGSCAJPKN-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO CCn1cc[nH+]c1CN1CCNC(=O)[C@H]1C ZINC000334456074 135418034 /nfs/dbraw/zinc/41/80/34/135418034.db2.gz XRSBRWXYPGGZHD-SECBINFHSA-N 1 2 222.292 0.223 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccnn1C ZINC000092042278 135571023 /nfs/dbraw/zinc/57/10/23/135571023.db2.gz SOBDXFASZMHVFA-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccnn1C ZINC000092042278 135571024 /nfs/dbraw/zinc/57/10/24/135571024.db2.gz SOBDXFASZMHVFA-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NCCCn1cccn1 ZINC000344168911 135750963 /nfs/dbraw/zinc/75/09/63/135750963.db2.gz JCYIGFFBCIPZKG-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CS(=O)(=O)C1C[NH+](C[C@H]2CCSC2)C1 ZINC000334934810 135845298 /nfs/dbraw/zinc/84/52/98/135845298.db2.gz KOYDLBGUIJQNCJ-MRVPVSSYSA-N 1 2 235.374 0.468 20 0 BCADLO COC[C@](C)([NH2+]CCC(C)(C)OC)C(=O)OC ZINC000346551643 135941390 /nfs/dbraw/zinc/94/13/90/135941390.db2.gz KGOYXOCYPLDDCZ-LBPRGKRZSA-N 1 2 247.335 0.969 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCOC ZINC000347731205 136004699 /nfs/dbraw/zinc/00/46/99/136004699.db2.gz XTWICWCQDNTDGW-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCOC ZINC000347731205 136004700 /nfs/dbraw/zinc/00/47/00/136004700.db2.gz XTWICWCQDNTDGW-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347698805 136007046 /nfs/dbraw/zinc/00/70/46/136007046.db2.gz JGGATWHWSJBSQE-MRVPVSSYSA-N 1 2 217.219 0.845 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347698805 136007047 /nfs/dbraw/zinc/00/70/47/136007047.db2.gz JGGATWHWSJBSQE-MRVPVSSYSA-N 1 2 217.219 0.845 20 0 BCADLO O=S1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000347754928 136011593 /nfs/dbraw/zinc/01/15/93/136011593.db2.gz MOSKZCHVEJMVNJ-UHFFFAOYSA-N 1 2 213.306 0.017 20 0 BCADLO O=C1CCC(C[NH+]2CCS(=O)CC2)CC1 ZINC000347758370 136011636 /nfs/dbraw/zinc/01/16/36/136011636.db2.gz QKAFFNFIUAUAMZ-UHFFFAOYSA-N 1 2 229.345 0.810 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCn1cccn1 ZINC000347982593 136023168 /nfs/dbraw/zinc/02/31/68/136023168.db2.gz SZASSHDVMRYKBV-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCn1cccn1 ZINC000347982593 136023169 /nfs/dbraw/zinc/02/31/69/136023169.db2.gz SZASSHDVMRYKBV-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO COC(=O)CNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000348060226 136024346 /nfs/dbraw/zinc/02/43/46/136024346.db2.gz LWSLGYNKMAFJBX-UHFFFAOYSA-N 1 2 240.259 0.001 20 0 BCADLO COC(=O)CNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000348060226 136024347 /nfs/dbraw/zinc/02/43/47/136024347.db2.gz LWSLGYNKMAFJBX-UHFFFAOYSA-N 1 2 240.259 0.001 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000335317295 136025435 /nfs/dbraw/zinc/02/54/35/136025435.db2.gz SKXHDAVUUAAJNY-IUCAKERBSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000335317295 136025436 /nfs/dbraw/zinc/02/54/36/136025436.db2.gz SKXHDAVUUAAJNY-IUCAKERBSA-N 1 2 238.253 0.954 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348098525 136036042 /nfs/dbraw/zinc/03/60/42/136036042.db2.gz UACBTUOYKDLYOT-JGVFFNPUSA-N 1 2 240.307 0.943 20 0 BCADLO COC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348179667 136043092 /nfs/dbraw/zinc/04/30/92/136043092.db2.gz GMHXLLUOPRUMAP-RQJHMYQMSA-N 1 2 223.219 0.909 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348185666 136044457 /nfs/dbraw/zinc/04/44/57/136044457.db2.gz CANNPLZWARZKOQ-HWPZZCPQSA-N 1 2 249.376 0.227 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348185666 136044458 /nfs/dbraw/zinc/04/44/58/136044458.db2.gz CANNPLZWARZKOQ-HWPZZCPQSA-N 1 2 249.376 0.227 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348185668 136044586 /nfs/dbraw/zinc/04/45/86/136044586.db2.gz CANNPLZWARZKOQ-MGPLVRAMSA-N 1 2 249.376 0.227 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348185668 136044587 /nfs/dbraw/zinc/04/45/87/136044587.db2.gz CANNPLZWARZKOQ-MGPLVRAMSA-N 1 2 249.376 0.227 20 0 BCADLO CCOCC[C@@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000348231159 136060820 /nfs/dbraw/zinc/06/08/20/136060820.db2.gz NYMJIFFQDZVIMD-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000348231159 136060821 /nfs/dbraw/zinc/06/08/21/136060821.db2.gz NYMJIFFQDZVIMD-LLVKDONJSA-N 1 2 245.319 0.411 20 0 BCADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)[nH]1 ZINC000348450988 136079243 /nfs/dbraw/zinc/07/92/43/136079243.db2.gz IEQQTTNPAZKDDK-PHDIDXHHSA-N 1 2 248.233 0.760 20 0 BCADLO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000335362888 136079338 /nfs/dbraw/zinc/07/93/38/136079338.db2.gz RRHCOWWMVFYDDS-NSHDSACASA-N 1 2 240.282 0.112 20 0 BCADLO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000335362835 136081442 /nfs/dbraw/zinc/08/14/42/136081442.db2.gz RRHCOWWMVFYDDS-LLVKDONJSA-N 1 2 240.282 0.112 20 0 BCADLO CCC(=O)C1(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000335397221 136093041 /nfs/dbraw/zinc/09/30/41/136093041.db2.gz AFKPXQJRUBQIBD-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC(=O)N1 ZINC000335398810 136093469 /nfs/dbraw/zinc/09/34/69/136093469.db2.gz KBCXUTWQZWIPDQ-SNVBAGLBSA-N 1 2 244.298 0.655 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000335560039 136100765 /nfs/dbraw/zinc/10/07/65/136100765.db2.gz SGENKZDGGOPSCF-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CCN1C(=O)[C@@H]1COCC[N@H+]1CC ZINC000335560039 136100766 /nfs/dbraw/zinc/10/07/66/136100766.db2.gz SGENKZDGGOPSCF-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccncc1 ZINC000335584712 136101106 /nfs/dbraw/zinc/10/11/06/136101106.db2.gz YTBSILQJPAWGAB-QWRGUYRKSA-N 1 2 249.339 0.632 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccncc1 ZINC000335584712 136101107 /nfs/dbraw/zinc/10/11/07/136101107.db2.gz YTBSILQJPAWGAB-QWRGUYRKSA-N 1 2 249.339 0.632 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335567128 136107909 /nfs/dbraw/zinc/10/79/09/136107909.db2.gz YVKMZLFCNMCWBA-SECBINFHSA-N 1 2 235.287 0.039 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000155074138 397748186 /nfs/dbraw/zinc/74/81/86/397748186.db2.gz BDMXCJODJOXRCL-VIFPVBQESA-N 1 2 222.292 0.415 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000155074138 397748191 /nfs/dbraw/zinc/74/81/91/397748191.db2.gz BDMXCJODJOXRCL-VIFPVBQESA-N 1 2 222.292 0.415 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000177113240 397787634 /nfs/dbraw/zinc/78/76/34/397787634.db2.gz CPOZQXONWHEJJY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000177113240 397787639 /nfs/dbraw/zinc/78/76/39/397787639.db2.gz CPOZQXONWHEJJY-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO COCC1CC[NH+](Cc2ncnn2C)CC1 ZINC000177165301 397789418 /nfs/dbraw/zinc/78/94/18/397789418.db2.gz SMDDARVFCBTTAU-UHFFFAOYSA-N 1 2 224.308 0.674 20 0 BCADLO Cn1c2ccccc2[nH+]c1N1CC[C@H](C(N)=O)C1 ZINC000178811820 397847811 /nfs/dbraw/zinc/84/78/11/397847811.db2.gz XTUBCVZWINZLQP-VIFPVBQESA-N 1 2 244.298 0.885 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537709 397930131 /nfs/dbraw/zinc/93/01/31/397930131.db2.gz PMTQXDDYSIEPGO-BDAKNGLRSA-N 1 2 241.291 0.583 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537709 397930135 /nfs/dbraw/zinc/93/01/35/397930135.db2.gz PMTQXDDYSIEPGO-BDAKNGLRSA-N 1 2 241.291 0.583 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)c2cnn(C)c2)c[nH+]1 ZINC000266667931 397938036 /nfs/dbraw/zinc/93/80/36/397938036.db2.gz YLXSNJZJDRNNSB-SSDOTTSWSA-N 1 2 233.275 0.943 20 0 BCADLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000267245866 397944128 /nfs/dbraw/zinc/94/41/28/397944128.db2.gz STQOJQCEPSIQQB-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000267245866 397944130 /nfs/dbraw/zinc/94/41/30/397944130.db2.gz STQOJQCEPSIQQB-UHFFFAOYSA-N 1 2 237.303 0.610 20 0 BCADLO CC(C)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267381558 397947376 /nfs/dbraw/zinc/94/73/76/397947376.db2.gz MRTLYXHXJVIDJL-UHFFFAOYSA-N 1 2 222.292 0.477 20 0 BCADLO CC(C)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267381558 397947378 /nfs/dbraw/zinc/94/73/78/397947378.db2.gz MRTLYXHXJVIDJL-UHFFFAOYSA-N 1 2 222.292 0.477 20 0 BCADLO CC(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382583377 397961922 /nfs/dbraw/zinc/96/19/22/397961922.db2.gz PHDWCCOVMZRQCZ-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1nnsc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000649603004 397990607 /nfs/dbraw/zinc/99/06/07/397990607.db2.gz VVLZMSNANYYFDG-SECBINFHSA-N 1 2 231.296 0.753 20 0 BCADLO Cc1nnsc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000649603004 397990611 /nfs/dbraw/zinc/99/06/11/397990611.db2.gz VVLZMSNANYYFDG-SECBINFHSA-N 1 2 231.296 0.753 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000302748670 398001029 /nfs/dbraw/zinc/00/10/29/398001029.db2.gz UHVHDMZOQXZVFH-SNVBAGLBSA-N 1 2 241.335 0.243 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000302748670 398001033 /nfs/dbraw/zinc/00/10/33/398001033.db2.gz UHVHDMZOQXZVFH-SNVBAGLBSA-N 1 2 241.335 0.243 20 0 BCADLO CC(C)O[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000649698937 398048170 /nfs/dbraw/zinc/04/81/70/398048170.db2.gz FAOISPJFSFWLSX-SNVBAGLBSA-N 1 2 239.323 0.600 20 0 BCADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000649698937 398048172 /nfs/dbraw/zinc/04/81/72/398048172.db2.gz FAOISPJFSFWLSX-SNVBAGLBSA-N 1 2 239.323 0.600 20 0 BCADLO CC(C)O[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000649702623 398049633 /nfs/dbraw/zinc/04/96/33/398049633.db2.gz ITKQRWPGHHJNBO-VIFPVBQESA-N 1 2 240.307 0.900 20 0 BCADLO CC(C)O[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000649702623 398049636 /nfs/dbraw/zinc/04/96/36/398049636.db2.gz ITKQRWPGHHJNBO-VIFPVBQESA-N 1 2 240.307 0.900 20 0 BCADLO CC(C)=CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271606336 397970065 /nfs/dbraw/zinc/97/00/65/397970065.db2.gz ULRJRKJBOJQBAS-VIFPVBQESA-N 1 2 214.334 0.855 20 0 BCADLO CC(C)=CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271606336 397970069 /nfs/dbraw/zinc/97/00/69/397970069.db2.gz ULRJRKJBOJQBAS-VIFPVBQESA-N 1 2 214.334 0.855 20 0 BCADLO CC[C@@H](C)NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000272629056 397981649 /nfs/dbraw/zinc/98/16/49/397981649.db2.gz VYDIJKLVDUPNMP-SNVBAGLBSA-N 1 2 238.335 0.767 20 0 BCADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000528428713 397986416 /nfs/dbraw/zinc/98/64/16/397986416.db2.gz DRNXEPHVFWRCSD-OTVCUZDGSA-N 1 2 246.738 0.654 20 0 BCADLO COC[C@@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000595384724 397989205 /nfs/dbraw/zinc/98/92/05/397989205.db2.gz PECVEEBFVNXDLE-NXEZZACHSA-N 1 2 247.335 0.825 20 0 BCADLO CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000220108643 398093175 /nfs/dbraw/zinc/09/31/75/398093175.db2.gz GSACAYBKWBUXSF-NSHDSACASA-N 1 2 205.261 0.574 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCOCC1 ZINC000199034124 398068033 /nfs/dbraw/zinc/06/80/33/398068033.db2.gz CQMQYHBLSXTPLT-UHFFFAOYSA-N 1 2 223.276 0.522 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000649731805 398071433 /nfs/dbraw/zinc/07/14/33/398071433.db2.gz NEPJTJYEVFEPEX-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCC2)[C@H](C)CO1 ZINC000649731805 398071436 /nfs/dbraw/zinc/07/14/36/398071436.db2.gz NEPJTJYEVFEPEX-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)NC)[C@H](C)CO1 ZINC000649731800 398071603 /nfs/dbraw/zinc/07/16/03/398071603.db2.gz NDQOYDCARIROSA-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)NC)[C@H](C)CO1 ZINC000649731800 398071607 /nfs/dbraw/zinc/07/16/07/398071607.db2.gz NDQOYDCARIROSA-BDAKNGLRSA-N 1 2 200.282 0.232 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCCNC1=O ZINC000283546579 398076110 /nfs/dbraw/zinc/07/61/10/398076110.db2.gz SWDITYZOTLVMHS-ORAHPGNNSA-N 1 2 248.286 0.208 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000649736491 398077523 /nfs/dbraw/zinc/07/75/23/398077523.db2.gz BRXHVBKZYNUUOF-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000649736491 398077524 /nfs/dbraw/zinc/07/75/24/398077524.db2.gz BRXHVBKZYNUUOF-GXSJLCMTSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000649736492 398078088 /nfs/dbraw/zinc/07/80/88/398078088.db2.gz BRXHVBKZYNUUOF-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)[C@H](C)CO1 ZINC000649736492 398078091 /nfs/dbraw/zinc/07/80/91/398078091.db2.gz BRXHVBKZYNUUOF-KOLCDFICSA-N 1 2 224.308 0.814 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@H]2COC)o1 ZINC000649742611 398080646 /nfs/dbraw/zinc/08/06/46/398080646.db2.gz LODYXTWQZOCFKV-VHSXEESVSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@H]2COC)o1 ZINC000649742611 398080648 /nfs/dbraw/zinc/08/06/48/398080648.db2.gz LODYXTWQZOCFKV-VHSXEESVSA-N 1 2 240.303 0.819 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1C ZINC000649742488 398080781 /nfs/dbraw/zinc/08/07/81/398080781.db2.gz FWOYIBCUAOCGNB-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccn1C ZINC000649742488 398080787 /nfs/dbraw/zinc/08/07/87/398080787.db2.gz FWOYIBCUAOCGNB-VHSXEESVSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1ccccn1 ZINC000186976630 398080779 /nfs/dbraw/zinc/08/07/79/398080779.db2.gz FMUVPQNWSGKKDD-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1ccccn1 ZINC000186976630 398080783 /nfs/dbraw/zinc/08/07/83/398080783.db2.gz FMUVPQNWSGKKDD-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cscn1 ZINC000649741548 398081398 /nfs/dbraw/zinc/08/13/98/398081398.db2.gz UTNFGGPZQROTPG-VHSXEESVSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cscn1 ZINC000649741548 398081401 /nfs/dbraw/zinc/08/14/01/398081401.db2.gz UTNFGGPZQROTPG-VHSXEESVSA-N 1 2 228.317 0.725 20 0 BCADLO CC[N@H+](Cc1nncn1C)[C@@H]1CCCOC1 ZINC000649755133 398085487 /nfs/dbraw/zinc/08/54/87/398085487.db2.gz GAIMJQZCQFPMCQ-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@@H+](Cc1nncn1C)[C@@H]1CCCOC1 ZINC000649755133 398085490 /nfs/dbraw/zinc/08/54/90/398085490.db2.gz GAIMJQZCQFPMCQ-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@H]1C[N@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000291568599 398095529 /nfs/dbraw/zinc/09/55/29/398095529.db2.gz NSZAUOQBHGDXPN-GHMZBOCLSA-N 1 2 239.319 0.954 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000291568599 398095533 /nfs/dbraw/zinc/09/55/33/398095533.db2.gz NSZAUOQBHGDXPN-GHMZBOCLSA-N 1 2 239.319 0.954 20 0 BCADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000289318119 398086608 /nfs/dbraw/zinc/08/66/08/398086608.db2.gz BXJBGJXDYDFBJC-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO Cn1nncc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000289318119 398086611 /nfs/dbraw/zinc/08/66/11/398086611.db2.gz BXJBGJXDYDFBJC-LLVKDONJSA-N 1 2 232.291 0.875 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H]2C[C@H]21 ZINC000646748989 398087080 /nfs/dbraw/zinc/08/70/80/398087080.db2.gz XUCCUZLPXKEVSY-BDAKNGLRSA-N 1 2 221.260 0.342 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000290986351 398087871 /nfs/dbraw/zinc/08/78/71/398087871.db2.gz ZFXVCSMJWAOVRO-PSLIRLAXSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000290986351 398087872 /nfs/dbraw/zinc/08/78/72/398087872.db2.gz ZFXVCSMJWAOVRO-PSLIRLAXSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000290986351 398087876 /nfs/dbraw/zinc/08/78/76/398087876.db2.gz ZFXVCSMJWAOVRO-PSLIRLAXSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000290986351 398087878 /nfs/dbraw/zinc/08/78/78/398087878.db2.gz ZFXVCSMJWAOVRO-PSLIRLAXSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000290986363 398087887 /nfs/dbraw/zinc/08/78/87/398087887.db2.gz ZFXVCSMJWAOVRO-VFZGTOFNSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000290986363 398087888 /nfs/dbraw/zinc/08/78/88/398087888.db2.gz ZFXVCSMJWAOVRO-VFZGTOFNSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000290986363 398087891 /nfs/dbraw/zinc/08/78/91/398087891.db2.gz ZFXVCSMJWAOVRO-VFZGTOFNSA-N 1 2 229.349 0.917 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000290986363 398087893 /nfs/dbraw/zinc/08/78/93/398087893.db2.gz ZFXVCSMJWAOVRO-VFZGTOFNSA-N 1 2 229.349 0.917 20 0 BCADLO CCC[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000035270416 398091509 /nfs/dbraw/zinc/09/15/09/398091509.db2.gz YLNMQEGHNBRYHW-NSHDSACASA-N 1 2 228.336 0.871 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccs1 ZINC000649763835 398091730 /nfs/dbraw/zinc/09/17/30/398091730.db2.gz GCRLCGIXOWNSGV-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nccs1 ZINC000649763835 398091732 /nfs/dbraw/zinc/09/17/32/398091732.db2.gz GCRLCGIXOWNSGV-RKDXNWHRSA-N 1 2 228.317 0.725 20 0 BCADLO COCC[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000291220434 398091849 /nfs/dbraw/zinc/09/18/49/398091849.db2.gz LMDHUJNXWBFEFX-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000280199509 398054811 /nfs/dbraw/zinc/05/48/11/398054811.db2.gz ADXBBLONRKSINB-CEFVDNRUSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000280199509 398054814 /nfs/dbraw/zinc/05/48/14/398054814.db2.gz ADXBBLONRKSINB-CEFVDNRUSA-N 1 2 227.333 0.751 20 0 BCADLO COC[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000281165370 398058129 /nfs/dbraw/zinc/05/81/29/398058129.db2.gz XBKRPGIGMSKQTL-VIFPVBQESA-N 1 2 239.275 0.519 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@]2(O)CCC[C@H]2C)c[nH+]1 ZINC000293949624 398119073 /nfs/dbraw/zinc/11/90/73/398119073.db2.gz AHDAXCAREZQURI-PELKAZGASA-N 1 2 237.303 0.999 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCS(=O)CC1 ZINC000558528051 398120290 /nfs/dbraw/zinc/12/02/90/398120290.db2.gz AUPCWFDAKWRRNI-UHFFFAOYSA-N 1 2 225.317 0.662 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214181 398130207 /nfs/dbraw/zinc/13/02/07/398130207.db2.gz KSUVBTNOSNXIQM-NXEZZACHSA-N 1 2 237.303 0.333 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cscn2)C1 ZINC000285200176 173226703 /nfs/dbraw/zinc/22/67/03/173226703.db2.gz WLUQIJUYRGPAAJ-UHFFFAOYSA-N 1 2 211.290 0.321 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000336259929 167070696 /nfs/dbraw/zinc/07/06/96/167070696.db2.gz VZVLFRXDWYQPFS-BDAKNGLRSA-N 1 2 245.298 0.653 20 0 BCADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000336259929 167070698 /nfs/dbraw/zinc/07/06/98/167070698.db2.gz VZVLFRXDWYQPFS-BDAKNGLRSA-N 1 2 245.298 0.653 20 0 BCADLO CCc1ncc(C[N@H+](C)CC(=O)NC)cn1 ZINC000668788656 487535947 /nfs/dbraw/zinc/53/59/47/487535947.db2.gz RKZUIIBUEAIRKP-UHFFFAOYSA-N 1 2 222.292 0.217 20 0 BCADLO CCc1ncc(C[N@@H+](C)CC(=O)NC)cn1 ZINC000668788656 487535953 /nfs/dbraw/zinc/53/59/53/487535953.db2.gz RKZUIIBUEAIRKP-UHFFFAOYSA-N 1 2 222.292 0.217 20 0 BCADLO O=C1C[N@@H+]([C@H]2CCCOC2)CCN1C1CC1 ZINC000674303849 487558129 /nfs/dbraw/zinc/55/81/29/487558129.db2.gz YXRRESBIDGQCFC-NSHDSACASA-N 1 2 224.304 0.472 20 0 BCADLO O=C1C[N@H+]([C@H]2CCCOC2)CCN1C1CC1 ZINC000674303849 487558132 /nfs/dbraw/zinc/55/81/32/487558132.db2.gz YXRRESBIDGQCFC-NSHDSACASA-N 1 2 224.304 0.472 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCF ZINC000668254142 487558670 /nfs/dbraw/zinc/55/86/70/487558670.db2.gz QKQKGWRMIHKNSN-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCF ZINC000668254142 487558676 /nfs/dbraw/zinc/55/86/76/487558676.db2.gz QKQKGWRMIHKNSN-SNVBAGLBSA-N 1 2 232.299 0.573 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000685585370 487558991 /nfs/dbraw/zinc/55/89/91/487558991.db2.gz XPSXUVCYDJXTFX-CBAPKCEASA-N 1 2 238.291 0.636 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)no1 ZINC000685585370 487558996 /nfs/dbraw/zinc/55/89/96/487558996.db2.gz XPSXUVCYDJXTFX-CBAPKCEASA-N 1 2 238.291 0.636 20 0 BCADLO CN(C[C@@H](O)C1CC1)c1[nH+]cnc2c1cnn2C ZINC000674330213 487560048 /nfs/dbraw/zinc/56/00/48/487560048.db2.gz CXMNJSLGIZSZQB-SNVBAGLBSA-N 1 2 247.302 0.570 20 0 BCADLO CCN1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1=O ZINC000670170867 487565883 /nfs/dbraw/zinc/56/58/83/487565883.db2.gz ZABBUKIJVHPWPK-QMMMGPOBSA-N 1 2 236.275 0.069 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000680343604 487570236 /nfs/dbraw/zinc/57/02/36/487570236.db2.gz IFUPSRJTJHWJTM-PSASIEDQSA-N 1 2 207.277 0.735 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000669717261 487571206 /nfs/dbraw/zinc/57/12/06/487571206.db2.gz BKCNNUVLYREJRW-VIFPVBQESA-N 1 2 229.305 0.029 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000669717261 487571210 /nfs/dbraw/zinc/57/12/10/487571210.db2.gz BKCNNUVLYREJRW-VIFPVBQESA-N 1 2 229.305 0.029 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cocn1 ZINC000672155353 487576712 /nfs/dbraw/zinc/57/67/12/487576712.db2.gz WHTSKERKLBDHTJ-QMMMGPOBSA-N 1 2 232.243 0.616 20 0 BCADLO CC(C)OCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356378189 167233009 /nfs/dbraw/zinc/23/30/09/167233009.db2.gz YUFVMKDNKLVDQM-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO CC(C)OCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356378189 167233012 /nfs/dbraw/zinc/23/30/12/167233012.db2.gz YUFVMKDNKLVDQM-UHFFFAOYSA-N 1 2 228.336 0.964 20 0 BCADLO O=C(Cc1cscn1)NCCn1cc[nH+]c1 ZINC000082283480 487588521 /nfs/dbraw/zinc/58/85/21/487588521.db2.gz PIQDSLFBCXAVJK-UHFFFAOYSA-N 1 2 236.300 0.699 20 0 BCADLO CC(C)ONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000295951447 167276498 /nfs/dbraw/zinc/27/64/98/167276498.db2.gz MGYJSQYNCGOTDV-VIFPVBQESA-N 1 2 226.280 0.911 20 0 BCADLO CCc1cc(N2CC(=O)N(C)C(=O)C2)nc(C)[nH+]1 ZINC000530425455 487598471 /nfs/dbraw/zinc/59/84/71/487598471.db2.gz HGQIALQZMCORIP-UHFFFAOYSA-N 1 2 248.286 0.152 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000668272158 487602213 /nfs/dbraw/zinc/60/22/13/487602213.db2.gz ZTLGIKGJXLDAQN-UHFFFAOYSA-N 1 2 248.330 0.600 20 0 BCADLO CCc1cc(N[C@@H]2CC(=O)N(C)C2=O)nc[nH+]1 ZINC000115263653 487604396 /nfs/dbraw/zinc/60/43/96/487604396.db2.gz FCGVVANMLRLPAI-MRVPVSSYSA-N 1 2 234.259 0.208 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000374332817 167317741 /nfs/dbraw/zinc/31/77/41/167317741.db2.gz OXEVHQFEEDGJRR-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+]1CCOC[C@@H](C)C1 ZINC000374332817 167317746 /nfs/dbraw/zinc/31/77/46/167317746.db2.gz OXEVHQFEEDGJRR-NSHDSACASA-N 1 2 249.376 0.778 20 0 BCADLO Cn1nc(C[NH2+]C2(C(N)=O)CC2)c2ccccc21 ZINC000682997323 487604884 /nfs/dbraw/zinc/60/48/84/487604884.db2.gz LJLVTDZOJWWHGJ-UHFFFAOYSA-N 1 2 244.298 0.681 20 0 BCADLO Cc1nnc(C(=O)N2CC[NH+](C)CC2)s1 ZINC000680496090 487606568 /nfs/dbraw/zinc/60/65/68/487606568.db2.gz TVCOMEVVHGUMQU-UHFFFAOYSA-N 1 2 226.305 0.234 20 0 BCADLO CC(C)SCC[N@@H+]1CCNC(=O)C1 ZINC000336644459 167325880 /nfs/dbraw/zinc/32/58/80/167325880.db2.gz QIXXSHYNPSEWQM-UHFFFAOYSA-N 1 2 202.323 0.560 20 0 BCADLO CC(C)SCC[N@H+]1CCNC(=O)C1 ZINC000336644459 167325884 /nfs/dbraw/zinc/32/58/84/167325884.db2.gz QIXXSHYNPSEWQM-UHFFFAOYSA-N 1 2 202.323 0.560 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC1=CCSC1 ZINC000662269010 409572295 /nfs/dbraw/zinc/57/22/95/409572295.db2.gz UHIAJQLGOQEESQ-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC1=CCSC1 ZINC000662269010 409572306 /nfs/dbraw/zinc/57/23/06/409572306.db2.gz UHIAJQLGOQEESQ-UHFFFAOYSA-N 1 2 224.333 0.920 20 0 BCADLO CCS(=O)(=O)C1CN(Cc2[nH+]ccn2C)C1 ZINC000660727368 409667557 /nfs/dbraw/zinc/66/75/57/409667557.db2.gz GVNHNWDLAUTJAH-UHFFFAOYSA-N 1 2 243.332 0.039 20 0 BCADLO CCc1nnc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2OC)[nH]1 ZINC000660779676 409737595 /nfs/dbraw/zinc/73/75/95/409737595.db2.gz GUHKYRJVTZBTCI-HLTSFMKQSA-N 1 2 240.307 0.432 20 0 BCADLO C[C@H]([NH2+]Cc1cscn1)C(=O)N(C)C ZINC000040504166 409823015 /nfs/dbraw/zinc/82/30/15/409823015.db2.gz PMIODWRUUYHRDT-ZETCQYMHSA-N 1 2 213.306 0.709 20 0 BCADLO C[N@H+](CCc1cccnc1)Cc1n[nH]c(=O)o1 ZINC000660843115 409836964 /nfs/dbraw/zinc/83/69/64/409836964.db2.gz VDJWCSQCUKWKHW-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO C[N@@H+](CCc1cccnc1)Cc1n[nH]c(=O)o1 ZINC000660843115 409836971 /nfs/dbraw/zinc/83/69/71/409836971.db2.gz VDJWCSQCUKWKHW-UHFFFAOYSA-N 1 2 234.259 0.845 20 0 BCADLO CCC[C@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843471 409837102 /nfs/dbraw/zinc/83/71/02/409837102.db2.gz YTYFIYVIULXXPY-ZETCQYMHSA-N 1 2 215.253 0.368 20 0 BCADLO CCC[C@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843471 409837107 /nfs/dbraw/zinc/83/71/07/409837107.db2.gz YTYFIYVIULXXPY-ZETCQYMHSA-N 1 2 215.253 0.368 20 0 BCADLO CC[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000660844172 409839074 /nfs/dbraw/zinc/83/90/74/409839074.db2.gz KSYOHKLJNKKSHY-ZETCQYMHSA-N 1 2 215.253 0.632 20 0 BCADLO CC[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000660844172 409839080 /nfs/dbraw/zinc/83/90/80/409839080.db2.gz KSYOHKLJNKKSHY-ZETCQYMHSA-N 1 2 215.253 0.632 20 0 BCADLO C[C@@H]1C[C@H]([N@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660844689 409844667 /nfs/dbraw/zinc/84/46/67/409844667.db2.gz STBCXIPEVXZCOW-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO C[C@@H]1C[C@H]([N@@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660844689 409844672 /nfs/dbraw/zinc/84/46/72/409844672.db2.gz STBCXIPEVXZCOW-HTQZYQBOSA-N 1 2 227.264 0.775 20 0 BCADLO Cn1c[nH+]c(CN2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000660831927 409809322 /nfs/dbraw/zinc/80/93/22/409809322.db2.gz UXXGQRDUEZHSMF-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO Cn1c[nH+]c(CN2C[C@H](CO)OC(C)(C)C2)c1 ZINC000660831921 409810013 /nfs/dbraw/zinc/81/00/13/409810013.db2.gz UXXGQRDUEZHSMF-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1Cc1cn(C)c[nH+]1 ZINC000660907218 409955524 /nfs/dbraw/zinc/95/55/24/409955524.db2.gz PLHWIYWAHDNMPE-MRVPVSSYSA-N 1 2 208.265 0.040 20 0 BCADLO CO[C@H](C[N@@H+]1CCn2nncc2C1)C1CCC1 ZINC000660924623 409971004 /nfs/dbraw/zinc/97/10/04/409971004.db2.gz XPNZFNGZXZRCRQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CO[C@H](C[N@H+]1CCn2nncc2C1)C1CCC1 ZINC000660924623 409971008 /nfs/dbraw/zinc/97/10/08/409971008.db2.gz XPNZFNGZXZRCRQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCF ZINC000651970370 409940543 /nfs/dbraw/zinc/94/05/43/409940543.db2.gz WRTNQPDNLDWISB-UHFFFAOYSA-N 1 2 225.267 0.848 20 0 BCADLO c1cn(CCNc2cncc3ncnn32)c[nH+]1 ZINC000680527286 487611466 /nfs/dbraw/zinc/61/14/66/487611466.db2.gz ZUNAJUYARYMEOE-UHFFFAOYSA-N 1 2 229.247 0.433 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CCCCN1 ZINC000653171850 410138393 /nfs/dbraw/zinc/13/83/93/410138393.db2.gz LSTYDQMOMKDYSE-UHFFFAOYSA-N 1 2 222.292 0.790 20 0 BCADLO C[C@H](CN(C)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC000661094725 410178125 /nfs/dbraw/zinc/17/81/25/410178125.db2.gz YQWXRCRDOHVHLV-MRVPVSSYSA-N 1 2 231.321 0.275 20 0 BCADLO C[C@H](CN(C)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC000661094725 410178132 /nfs/dbraw/zinc/17/81/32/410178132.db2.gz YQWXRCRDOHVHLV-MRVPVSSYSA-N 1 2 231.321 0.275 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000309035927 410203483 /nfs/dbraw/zinc/20/34/83/410203483.db2.gz IBWGPUKQTLDPRQ-RKDXNWHRSA-N 1 2 209.249 0.211 20 0 BCADLO Cc1ccn(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000655401930 410205394 /nfs/dbraw/zinc/20/53/94/410205394.db2.gz AHQQRELFCQPBMN-SECBINFHSA-N 1 2 233.275 0.792 20 0 BCADLO C[C@H](CF)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661185911 410326314 /nfs/dbraw/zinc/32/63/14/410326314.db2.gz MJCMHRKATYXMCS-SSDOTTSWSA-N 1 2 214.244 0.909 20 0 BCADLO C[C@H](CF)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661185911 410326319 /nfs/dbraw/zinc/32/63/19/410326319.db2.gz MJCMHRKATYXMCS-SSDOTTSWSA-N 1 2 214.244 0.909 20 0 BCADLO CCc1cc(NCc2nnc(COC)[nH]2)cc[nH+]1 ZINC000664274073 410547567 /nfs/dbraw/zinc/54/75/67/410547567.db2.gz AYDZHKPEPDSJRS-UHFFFAOYSA-N 1 2 247.302 0.943 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCOCC1 ZINC000650985046 410673476 /nfs/dbraw/zinc/67/34/76/410673476.db2.gz GHMNWDMENVGDQI-UHFFFAOYSA-N 1 2 249.314 0.621 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000664642784 410612841 /nfs/dbraw/zinc/61/28/41/410612841.db2.gz FBFUJMHLNPEGGB-IWSPIJDZSA-N 1 2 238.291 0.205 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H]2C[C@H](O)C2)[nH+]cn1 ZINC000664642784 410612845 /nfs/dbraw/zinc/61/28/45/410612845.db2.gz FBFUJMHLNPEGGB-IWSPIJDZSA-N 1 2 238.291 0.205 20 0 BCADLO CCn1nccc1CNc1nc[nH+]c(N)c1OC ZINC000664681813 410616625 /nfs/dbraw/zinc/61/66/25/410616625.db2.gz NWMGMIZZWKMGNO-UHFFFAOYSA-N 1 2 248.290 0.896 20 0 BCADLO CCn1nccc1CNc1[nH+]cnc(N)c1OC ZINC000664681813 410616629 /nfs/dbraw/zinc/61/66/29/410616629.db2.gz NWMGMIZZWKMGNO-UHFFFAOYSA-N 1 2 248.290 0.896 20 0 BCADLO Cn1nccc1NC(=O)NCCn1cc[nH+]c1 ZINC000170740447 410621755 /nfs/dbraw/zinc/62/17/55/410621755.db2.gz JJSWDKVBATYCNG-UHFFFAOYSA-N 1 2 234.263 0.438 20 0 BCADLO COC[C@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000665105169 410692153 /nfs/dbraw/zinc/69/21/53/410692153.db2.gz JMMGGMRWHOACDJ-JTQLQIEISA-N 1 2 241.291 0.051 20 0 BCADLO C[C@H](CC(=O)Nc1cc[nH]n1)n1cc[nH+]c1 ZINC000568635045 410731325 /nfs/dbraw/zinc/73/13/25/410731325.db2.gz ORZYSMZUBYTKAB-MRVPVSSYSA-N 1 2 219.248 1.196 20 0 BCADLO C[C@H](C[NH+]1CC(C)(C)C1)S(C)(=O)=O ZINC000651136191 410829456 /nfs/dbraw/zinc/82/94/56/410829456.db2.gz HREBWXMCAONJKX-MRVPVSSYSA-N 1 2 205.323 0.761 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)NC2CC=CC2)c1 ZINC000651149020 410836158 /nfs/dbraw/zinc/83/61/58/410836158.db2.gz LTDYEVGFKVSMDE-UHFFFAOYSA-N 1 2 234.303 0.980 20 0 BCADLO CCn1ccc(CC(=O)NCc2[nH+]ccn2C)n1 ZINC000651255525 410879603 /nfs/dbraw/zinc/87/96/03/410879603.db2.gz YPPUCMCSWMWSBS-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000367871315 167050907 /nfs/dbraw/zinc/05/09/07/167050907.db2.gz CHHAFHOPIXVFGN-NSHDSACASA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000367871315 167050909 /nfs/dbraw/zinc/05/09/09/167050909.db2.gz CHHAFHOPIXVFGN-NSHDSACASA-N 1 2 232.299 0.307 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000376539486 167055271 /nfs/dbraw/zinc/05/52/71/167055271.db2.gz HVVHQCFKAJOJGP-ONGXEEELSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000376539486 167055273 /nfs/dbraw/zinc/05/52/73/167055273.db2.gz HVVHQCFKAJOJGP-ONGXEEELSA-N 1 2 240.303 0.148 20 0 BCADLO CC(C)OCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000104691667 167235179 /nfs/dbraw/zinc/23/51/79/167235179.db2.gz BINOPFYJIVIBDW-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000104691667 167235180 /nfs/dbraw/zinc/23/51/80/167235180.db2.gz BINOPFYJIVIBDW-VIFPVBQESA-N 1 2 200.282 0.232 20 0 BCADLO CC(C)OC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000336772293 167265038 /nfs/dbraw/zinc/26/50/38/167265038.db2.gz YBFHFELRIAJQOP-QMMMGPOBSA-N 1 2 213.285 0.113 20 0 BCADLO CCn1ccc(CC(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000651302684 410911688 /nfs/dbraw/zinc/91/16/88/410911688.db2.gz NKURLDHHPFHRMC-UHFFFAOYSA-N 1 2 247.302 0.528 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000245383253 167371987 /nfs/dbraw/zinc/37/19/87/167371987.db2.gz OEJYTZFMHJDIMZ-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000245383253 167371989 /nfs/dbraw/zinc/37/19/89/167371989.db2.gz OEJYTZFMHJDIMZ-ZJUUUORDSA-N 1 2 241.335 0.097 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000651413404 410996501 /nfs/dbraw/zinc/99/65/01/410996501.db2.gz ZTLSENKIEUIYAA-DTORHVGOSA-N 1 2 242.282 0.728 20 0 BCADLO OC[C@H](CCF)Nc1cc[nH+]c(C2CC2)n1 ZINC000651461722 411045049 /nfs/dbraw/zinc/04/50/49/411045049.db2.gz GPSYCBWWQDTJMR-VIFPVBQESA-N 1 2 225.267 0.908 20 0 BCADLO Cc1nc(N(C)[C@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000651471257 411052517 /nfs/dbraw/zinc/05/25/17/411052517.db2.gz OIXWAKPWDLHURF-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)CCO)[nH+]1 ZINC000651471257 411052524 /nfs/dbraw/zinc/05/25/24/411052524.db2.gz OIXWAKPWDLHURF-MRVPVSSYSA-N 1 2 239.323 0.453 20 0 BCADLO C[C@H]1C[NH+](Cc2c[nH]nn2)C[C@H](C)C1O ZINC000661620333 411071937 /nfs/dbraw/zinc/07/19/37/411071937.db2.gz JAHFFLYSIVHDBF-YUMQZZPRSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@H]1C[NH+](Cc2cnn[nH]2)C[C@H](C)C1O ZINC000661620333 411071939 /nfs/dbraw/zinc/07/19/39/411071939.db2.gz JAHFFLYSIVHDBF-YUMQZZPRSA-N 1 2 210.281 0.253 20 0 BCADLO C[C@H]1C[NH+](Cc2cn[nH]n2)C[C@H](C)C1O ZINC000661620333 411071941 /nfs/dbraw/zinc/07/19/41/411071941.db2.gz JAHFFLYSIVHDBF-YUMQZZPRSA-N 1 2 210.281 0.253 20 0 BCADLO O=C1CC[C@@H]2C[N@H+](CC(F)F)CC[C@@H]2N1 ZINC000661603808 411025622 /nfs/dbraw/zinc/02/56/22/411025622.db2.gz WHEMGRCOOZSCLB-SFYZADRCSA-N 1 2 218.247 0.852 20 0 BCADLO O=C1CC[C@@H]2C[N@@H+](CC(F)F)CC[C@@H]2N1 ZINC000661603808 411025627 /nfs/dbraw/zinc/02/56/27/411025627.db2.gz WHEMGRCOOZSCLB-SFYZADRCSA-N 1 2 218.247 0.852 20 0 BCADLO CCN1C[C@H]([NH2+][C@@H](C)c2cn[nH]c2C)CC1=O ZINC000651434885 411026923 /nfs/dbraw/zinc/02/69/23/411026923.db2.gz XTBBINCVEPTTBG-WCBMZHEXSA-N 1 2 236.319 0.990 20 0 BCADLO CCc1nnc(C[N@H+](C)[C@@H]2CCOC2)o1 ZINC000106883507 411130764 /nfs/dbraw/zinc/13/07/64/411130764.db2.gz YMZXWYWZFAOGFB-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCOC2)o1 ZINC000106883507 411130766 /nfs/dbraw/zinc/13/07/66/411130766.db2.gz YMZXWYWZFAOGFB-MRVPVSSYSA-N 1 2 211.265 0.853 20 0 BCADLO CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000047704883 411164047 /nfs/dbraw/zinc/16/40/47/411164047.db2.gz WLKNUFAWHDATGU-UHFFFAOYSA-N 1 2 208.265 0.577 20 0 BCADLO CC1(C)C[C@H]([N@@H+]2CCN(C3CC3)C(=O)C2)CO1 ZINC000659986119 411157268 /nfs/dbraw/zinc/15/72/68/411157268.db2.gz VOFOOMWBGWVOPT-NSHDSACASA-N 1 2 238.331 0.861 20 0 BCADLO CC1(C)C[C@H]([N@H+]2CCN(C3CC3)C(=O)C2)CO1 ZINC000659986119 411157271 /nfs/dbraw/zinc/15/72/71/411157271.db2.gz VOFOOMWBGWVOPT-NSHDSACASA-N 1 2 238.331 0.861 20 0 BCADLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@H](C)CC ZINC000048047856 411171948 /nfs/dbraw/zinc/17/19/48/411171948.db2.gz ALDNWGHCXASYEG-SNVBAGLBSA-N 1 2 243.351 0.489 20 0 BCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)CC ZINC000048047856 411171952 /nfs/dbraw/zinc/17/19/52/411171952.db2.gz ALDNWGHCXASYEG-SNVBAGLBSA-N 1 2 243.351 0.489 20 0 BCADLO O=C(C[NH2+][C@@H]1CCCn2ccnc21)NCC1CC1 ZINC000655751858 411176909 /nfs/dbraw/zinc/17/69/09/411176909.db2.gz GZXGFCRZJBTUFM-LLVKDONJSA-N 1 2 248.330 0.834 20 0 BCADLO COc1c(C)[nH+]cnc1NC[C@@H](C)CO ZINC000656111842 411181322 /nfs/dbraw/zinc/18/13/22/411181322.db2.gz IFSZNFWINSGENU-SSDOTTSWSA-N 1 2 211.265 0.834 20 0 BCADLO Cc1cc(NC(=O)N2CCO[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000652794238 411182223 /nfs/dbraw/zinc/18/22/23/411182223.db2.gz YCQSDGBRSAHBGK-WDEREUQCSA-N 1 2 233.271 0.817 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@H](CO)C1 ZINC000656128661 411184419 /nfs/dbraw/zinc/18/44/19/411184419.db2.gz YTDDVFUULVULML-VIFPVBQESA-N 1 2 223.276 0.612 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C=C[C@H](CO)C1 ZINC000656136378 411184805 /nfs/dbraw/zinc/18/48/05/411184805.db2.gz BUWLJWFJXRHBSA-JGVFFNPUSA-N 1 2 236.275 0.416 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C=C[C@H](CO)C1 ZINC000656136378 411184806 /nfs/dbraw/zinc/18/48/06/411184806.db2.gz BUWLJWFJXRHBSA-JGVFFNPUSA-N 1 2 236.275 0.416 20 0 BCADLO OCC(F)(F)CN[C@H]1CCCn2cc[nH+]c21 ZINC000655756403 411187189 /nfs/dbraw/zinc/18/71/89/411187189.db2.gz FAROEHHMOVVQPE-QMMMGPOBSA-N 1 2 231.246 0.935 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@H](O)[C@@H](C)C1 ZINC000656151588 411187240 /nfs/dbraw/zinc/18/72/40/411187240.db2.gz LTLPFUOJECERNG-CBAPKCEASA-N 1 2 223.276 0.611 20 0 BCADLO Cc1c[nH+]c(C)nc1N1C[C@H](CO)O[C@@H](C)C1 ZINC000656180832 411193122 /nfs/dbraw/zinc/19/31/22/411193122.db2.gz OEZKHAQJONVKLC-GXSJLCMTSA-N 1 2 237.303 0.679 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C)nc1 ZINC000653704370 411195996 /nfs/dbraw/zinc/19/59/96/411195996.db2.gz MJNGVOKIPAQCGI-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C)nc1 ZINC000653704370 411195997 /nfs/dbraw/zinc/19/59/97/411195997.db2.gz MJNGVOKIPAQCGI-NSHDSACASA-N 1 2 237.303 0.322 20 0 BCADLO OCc1cc[nH+]c(N2CCCOCC2)c1 ZINC000061920775 411200375 /nfs/dbraw/zinc/20/03/75/411200375.db2.gz MYESIHSZZZSFTD-UHFFFAOYSA-N 1 2 208.261 0.801 20 0 BCADLO C[C@@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)CS1 ZINC000655762291 411203307 /nfs/dbraw/zinc/20/33/07/411203307.db2.gz VZOJZKDIWKPCKC-HTQZYQBOSA-N 1 2 227.337 0.584 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H](CO)CCF ZINC000656202822 411206831 /nfs/dbraw/zinc/20/68/31/411206831.db2.gz AIEMMFTXAWQVCN-MRVPVSSYSA-N 1 2 229.255 0.926 20 0 BCADLO C[C@H](O)C[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000653896466 411213376 /nfs/dbraw/zinc/21/33/76/411213376.db2.gz AFRHDFCGNFWVCV-QMMMGPOBSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000653896466 411213379 /nfs/dbraw/zinc/21/33/79/411213379.db2.gz AFRHDFCGNFWVCV-QMMMGPOBSA-N 1 2 237.307 0.353 20 0 BCADLO CCc1nnc(C[N@H+](C[C@H](C)O)C2CC2)o1 ZINC000653896986 411213942 /nfs/dbraw/zinc/21/39/42/411213942.db2.gz GLBMBTYMUNWIJG-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)o1 ZINC000653896986 411213944 /nfs/dbraw/zinc/21/39/44/411213944.db2.gz GLBMBTYMUNWIJG-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000653897549 411214081 /nfs/dbraw/zinc/21/40/81/411214081.db2.gz PQZBUVLIRGHYHM-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1noc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000653897549 411214083 /nfs/dbraw/zinc/21/40/83/411214083.db2.gz PQZBUVLIRGHYHM-QMMMGPOBSA-N 1 2 225.292 0.977 20 0 BCADLO Cn1ncc2c1nc(C[NH+]1CCCC1)[nH]c2=O ZINC000048871315 411219170 /nfs/dbraw/zinc/21/91/70/411219170.db2.gz BSNOZAWFTWAGKW-UHFFFAOYSA-N 1 2 233.275 0.665 20 0 BCADLO COCC[N@H+](C)Cc1cn(-c2cccnc2)nn1 ZINC000656436597 411248464 /nfs/dbraw/zinc/24/84/64/411248464.db2.gz NMKSYAGBJOFAKZ-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO COCC[N@@H+](C)Cc1cn(-c2cccnc2)nn1 ZINC000656436597 411248466 /nfs/dbraw/zinc/24/84/66/411248466.db2.gz NMKSYAGBJOFAKZ-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO CCN1CC[C@@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000660090257 411225951 /nfs/dbraw/zinc/22/59/51/411225951.db2.gz BLPRDJOYHLYAAT-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO CCN1CC[C@@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000660090257 411225952 /nfs/dbraw/zinc/22/59/52/411225952.db2.gz BLPRDJOYHLYAAT-SNVBAGLBSA-N 1 2 222.292 0.462 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CCOCC2 ZINC000652401497 411229111 /nfs/dbraw/zinc/22/91/11/411229111.db2.gz JQRVMPWMGNVMRO-SNVBAGLBSA-N 1 2 235.287 0.568 20 0 BCADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H](C)C1 ZINC000660475963 411230928 /nfs/dbraw/zinc/23/09/28/411230928.db2.gz DDFLFNQTOBVBKY-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H](C)C1 ZINC000660475963 411230930 /nfs/dbraw/zinc/23/09/30/411230930.db2.gz DDFLFNQTOBVBKY-ONGXEEELSA-N 1 2 224.308 0.847 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC(C)(C)C)nn1 ZINC000656454503 411262719 /nfs/dbraw/zinc/26/27/19/411262719.db2.gz WTCQPCUFYAZZES-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC(C)(C)C)nn1 ZINC000656454503 411262721 /nfs/dbraw/zinc/26/27/21/411262721.db2.gz WTCQPCUFYAZZES-UHFFFAOYSA-N 1 2 226.324 0.748 20 0 BCADLO Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000050700741 411264700 /nfs/dbraw/zinc/26/47/00/411264700.db2.gz QWLZSDOMWDNYHZ-UHFFFAOYSA-N 1 2 245.286 0.680 20 0 BCADLO Cn1cnc(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000660153828 411267284 /nfs/dbraw/zinc/26/72/84/411267284.db2.gz HVTSCXSPPDBKLJ-JTQLQIEISA-N 1 2 227.333 0.330 20 0 BCADLO Cn1cnc(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000660153828 411267286 /nfs/dbraw/zinc/26/72/86/411267286.db2.gz HVTSCXSPPDBKLJ-JTQLQIEISA-N 1 2 227.333 0.330 20 0 BCADLO COCc1nnc(C[NH2+][C@H](COC)C(C)C)[nH]1 ZINC000658158137 411271143 /nfs/dbraw/zinc/27/11/43/411271143.db2.gz GDLFSWFWVDRKIY-SECBINFHSA-N 1 2 242.323 0.712 20 0 BCADLO COCc1nnc(C[NH2+]C2CC(C)C2)[nH]1 ZINC000658160755 411273863 /nfs/dbraw/zinc/27/38/63/411273863.db2.gz ZPUXNHXTXUGVFB-UHFFFAOYSA-N 1 2 210.281 0.839 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@@H]1O ZINC000660166389 411274119 /nfs/dbraw/zinc/27/41/19/411274119.db2.gz SCZPWJMEOPPEGV-KOLCDFICSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@@H]1O ZINC000660166389 411274124 /nfs/dbraw/zinc/27/41/24/411274124.db2.gz SCZPWJMEOPPEGV-KOLCDFICSA-N 1 2 238.335 0.846 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000660165938 411274397 /nfs/dbraw/zinc/27/43/97/411274397.db2.gz NQAMJHXFOSBNRR-CIUDSAMLSA-N 1 2 224.308 0.741 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000660165938 411274399 /nfs/dbraw/zinc/27/43/99/411274399.db2.gz NQAMJHXFOSBNRR-CIUDSAMLSA-N 1 2 224.308 0.741 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1O ZINC000660166390 411274415 /nfs/dbraw/zinc/27/44/15/411274415.db2.gz SCZPWJMEOPPEGV-MWLCHTKSSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1O ZINC000660166390 411274418 /nfs/dbraw/zinc/27/44/18/411274418.db2.gz SCZPWJMEOPPEGV-MWLCHTKSSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@@H]1O ZINC000660166391 411274438 /nfs/dbraw/zinc/27/44/38/411274438.db2.gz SCZPWJMEOPPEGV-ONGXEEELSA-N 1 2 238.335 0.846 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@@H]1O ZINC000660166391 411274442 /nfs/dbraw/zinc/27/44/42/411274442.db2.gz SCZPWJMEOPPEGV-ONGXEEELSA-N 1 2 238.335 0.846 20 0 BCADLO Cc1nc(N2CCC[C@H]2C(C)(C)O)nc(N)[nH+]1 ZINC000631183960 411283488 /nfs/dbraw/zinc/28/34/88/411283488.db2.gz FWUCDUNIRUDRNL-QMMMGPOBSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]2C(C)(C)O)[nH+]1 ZINC000631183960 411283490 /nfs/dbraw/zinc/28/34/90/411283490.db2.gz FWUCDUNIRUDRNL-QMMMGPOBSA-N 1 2 237.307 0.502 20 0 BCADLO Cc1nc(N2C[C@H](C)[C@](C)(CO)C2)nc(N)[nH+]1 ZINC000631371698 411285031 /nfs/dbraw/zinc/28/50/31/411285031.db2.gz CZQNWTIEORJGNA-CPCISQLKSA-N 1 2 237.307 0.217 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)[C@](C)(CO)C2)[nH+]1 ZINC000631371698 411285035 /nfs/dbraw/zinc/28/50/35/411285035.db2.gz CZQNWTIEORJGNA-CPCISQLKSA-N 1 2 237.307 0.217 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC1COCCOC1 ZINC000310817523 411287990 /nfs/dbraw/zinc/28/79/90/411287990.db2.gz JGOSSTLPDANPIJ-UHFFFAOYSA-N 1 2 249.274 0.191 20 0 BCADLO CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000656544381 411299464 /nfs/dbraw/zinc/29/94/64/411299464.db2.gz YZANWKJESDMWHX-IUCAKERBSA-N 1 2 215.297 0.025 20 0 BCADLO CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000656544381 411299465 /nfs/dbraw/zinc/29/94/65/411299465.db2.gz YZANWKJESDMWHX-IUCAKERBSA-N 1 2 215.297 0.025 20 0 BCADLO CCN1CC[C@@H](N2CCn3cc(C)[nH+]c3C2)C1=O ZINC000660237619 411302749 /nfs/dbraw/zinc/30/27/49/411302749.db2.gz ABXVEMILVMWQNV-LLVKDONJSA-N 1 2 248.330 0.628 20 0 BCADLO COc1cc(C[N@H+](CC(N)=O)C(C)C)on1 ZINC000659823429 411306306 /nfs/dbraw/zinc/30/63/06/411306306.db2.gz SBYWWIKHBABUIJ-UHFFFAOYSA-N 1 2 227.264 0.379 20 0 BCADLO COc1cc(C[N@@H+](CC(N)=O)C(C)C)on1 ZINC000659823429 411306307 /nfs/dbraw/zinc/30/63/07/411306307.db2.gz SBYWWIKHBABUIJ-UHFFFAOYSA-N 1 2 227.264 0.379 20 0 BCADLO CC(=O)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659828103 411310192 /nfs/dbraw/zinc/31/01/92/411310192.db2.gz FBRBVYYCDKLJJG-SNVBAGLBSA-N 1 2 248.273 0.575 20 0 BCADLO Cc1c[nH]cc(C(=O)NCCn2cc[nH+]c2)c1=O ZINC000358451840 411310863 /nfs/dbraw/zinc/31/08/63/411310863.db2.gz JRTFPJKIWKIKDX-UHFFFAOYSA-N 1 2 246.270 0.310 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(O)cc2)C1 ZINC000656621255 411311223 /nfs/dbraw/zinc/31/12/23/411311223.db2.gz UMUWOBKWOSGIHF-UHFFFAOYSA-N 1 2 220.272 0.713 20 0 BCADLO CCC[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000359910431 411314268 /nfs/dbraw/zinc/31/42/68/411314268.db2.gz ZUBZXTNBHRNEAR-NEPJUHHUSA-N 1 2 240.347 0.559 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000659839403 411323034 /nfs/dbraw/zinc/32/30/34/411323034.db2.gz WODHGUNRDHXMDS-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000659839403 411323036 /nfs/dbraw/zinc/32/30/36/411323036.db2.gz WODHGUNRDHXMDS-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000656443032 411250720 /nfs/dbraw/zinc/25/07/20/411250720.db2.gz OPTUPPNZMBLCRP-UHFFFAOYSA-N 1 2 212.297 0.358 20 0 BCADLO CC(C)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000656443032 411250724 /nfs/dbraw/zinc/25/07/24/411250724.db2.gz OPTUPPNZMBLCRP-UHFFFAOYSA-N 1 2 212.297 0.358 20 0 BCADLO CC(C)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656442852 411251027 /nfs/dbraw/zinc/25/10/27/411251027.db2.gz GVNUIYWVZQRCSL-JTQLQIEISA-N 1 2 210.281 0.595 20 0 BCADLO C[N@H+](CCO)Cc1cn(CC(F)(F)F)nn1 ZINC000656444648 411252406 /nfs/dbraw/zinc/25/24/06/411252406.db2.gz IXXATEOQPOLQPW-UHFFFAOYSA-N 1 2 238.213 0.265 20 0 BCADLO C[N@@H+](CCO)Cc1cn(CC(F)(F)F)nn1 ZINC000656444648 411252408 /nfs/dbraw/zinc/25/24/08/411252408.db2.gz IXXATEOQPOLQPW-UHFFFAOYSA-N 1 2 238.213 0.265 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)Cc1nnnn1C(C)(C)C ZINC000660143286 411258243 /nfs/dbraw/zinc/25/82/43/411258243.db2.gz UQTZOGNYKBJXNZ-UHFFFAOYSA-N 1 2 249.322 0.783 20 0 BCADLO O=C([O-])C12CC(C1)C[N@@H+]2CCCn1cc[nH+]c1 ZINC000656759820 411354791 /nfs/dbraw/zinc/35/47/91/411354791.db2.gz HVRMGGUCTINMSI-UHFFFAOYSA-N 1 2 235.287 0.822 20 0 BCADLO O=C([O-])C12CC(C1)C[N@H+]2CCCn1cc[nH+]c1 ZINC000656759820 411354795 /nfs/dbraw/zinc/35/47/95/411354795.db2.gz HVRMGGUCTINMSI-UHFFFAOYSA-N 1 2 235.287 0.822 20 0 BCADLO COCC[N@H+](CCO)Cc1nc(C)oc1C ZINC000659874170 411358890 /nfs/dbraw/zinc/35/88/90/411358890.db2.gz PUCQLEOVCSOPNJ-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO COCC[N@@H+](CCO)Cc1nc(C)oc1C ZINC000659874170 411358892 /nfs/dbraw/zinc/35/88/92/411358892.db2.gz PUCQLEOVCSOPNJ-UHFFFAOYSA-N 1 2 228.292 0.732 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)CC2)on1 ZINC000659876856 411360658 /nfs/dbraw/zinc/36/06/58/411360658.db2.gz GPHBUYJXZJQVHA-UHFFFAOYSA-N 1 2 225.248 0.005 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)CC2)on1 ZINC000659876856 411360659 /nfs/dbraw/zinc/36/06/59/411360659.db2.gz GPHBUYJXZJQVHA-UHFFFAOYSA-N 1 2 225.248 0.005 20 0 BCADLO C[C@H](CCO)N(C)C(=O)CCc1c[nH+]cn1C ZINC000652958907 411364283 /nfs/dbraw/zinc/36/42/83/411364283.db2.gz UIJSNKJPFGFIQA-SNVBAGLBSA-N 1 2 239.319 0.582 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H](CO)CCF ZINC000652917080 411337340 /nfs/dbraw/zinc/33/73/40/411337340.db2.gz PROREEKQILFPHW-JTQLQIEISA-N 1 2 243.282 0.500 20 0 BCADLO COc1ccc(CN2CCn3c[nH+]cc3C2)nn1 ZINC000660584477 411338924 /nfs/dbraw/zinc/33/89/24/411338924.db2.gz SSNQBCZURGNZQI-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO Cc1nnc([C@@H](C)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000660584396 411338943 /nfs/dbraw/zinc/33/89/43/411338943.db2.gz SJTZYEDJIJMJQK-MRVPVSSYSA-N 1 2 232.291 0.886 20 0 BCADLO CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC000330407348 168055361 /nfs/dbraw/zinc/05/53/61/168055361.db2.gz RKWCWVKFGIJREV-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328690815 168068867 /nfs/dbraw/zinc/06/88/67/168068867.db2.gz INMHMVIKBLKJIL-SECBINFHSA-N 1 2 235.287 0.039 20 0 BCADLO CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000336374182 168219850 /nfs/dbraw/zinc/21/98/50/168219850.db2.gz CKMWQMJPOFPTEV-UHFFFAOYSA-N 1 2 227.308 0.854 20 0 BCADLO CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855507 168231942 /nfs/dbraw/zinc/23/19/42/168231942.db2.gz KZJSCLKMHYQACQ-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855507 168231944 /nfs/dbraw/zinc/23/19/44/168231944.db2.gz KZJSCLKMHYQACQ-SNVBAGLBSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654853710 411455046 /nfs/dbraw/zinc/45/50/46/411455046.db2.gz INKWDCIUQOHECE-IUCAKERBSA-N 1 2 225.292 0.428 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654853710 411455049 /nfs/dbraw/zinc/45/50/49/411455049.db2.gz INKWDCIUQOHECE-IUCAKERBSA-N 1 2 225.292 0.428 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](O)C3)ccn12 ZINC000654851862 411456228 /nfs/dbraw/zinc/45/62/28/411456228.db2.gz FEUXDCQXIASZAT-LLVKDONJSA-N 1 2 245.282 0.850 20 0 BCADLO CN(CC(=O)N1CCCC1)Cc1cn(C)c[nH+]1 ZINC000659811957 411459756 /nfs/dbraw/zinc/45/97/56/411459756.db2.gz XMFPMZMWGRXFEH-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000659811626 411460619 /nfs/dbraw/zinc/46/06/19/411460619.db2.gz GTYQNSBSPOOQTF-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000659811626 411460622 /nfs/dbraw/zinc/46/06/22/411460622.db2.gz GTYQNSBSPOOQTF-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](F)C1 ZINC000653012172 411394122 /nfs/dbraw/zinc/39/41/22/411394122.db2.gz BOTXOEIZIRYQPJ-SECBINFHSA-N 1 2 211.240 0.844 20 0 BCADLO COC[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000659952022 411394388 /nfs/dbraw/zinc/39/43/88/411394388.db2.gz KXVWWRBHOUQMOH-LLVKDONJSA-N 1 2 225.292 0.267 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C)[C@@H](C)CO1 ZINC000657088806 411403066 /nfs/dbraw/zinc/40/30/66/411403066.db2.gz GCHCTEGKGJFGFL-UWVGGRQHSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C)[C@@H](C)CO1 ZINC000657088806 411403070 /nfs/dbraw/zinc/40/30/70/411403070.db2.gz GCHCTEGKGJFGFL-UWVGGRQHSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)N(C)C ZINC000657088808 411403751 /nfs/dbraw/zinc/40/37/51/411403751.db2.gz GCHCTEGKGJFGFL-ZJUUUORDSA-N 1 2 229.324 0.367 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)N(C)C ZINC000657088808 411403754 /nfs/dbraw/zinc/40/37/54/411403754.db2.gz GCHCTEGKGJFGFL-ZJUUUORDSA-N 1 2 229.324 0.367 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657094015 411405616 /nfs/dbraw/zinc/40/56/16/411405616.db2.gz YLLAFLXSKHPNCL-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657094015 411405618 /nfs/dbraw/zinc/40/56/18/411405618.db2.gz YLLAFLXSKHPNCL-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO O[C@@H]1C[C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCN2C1 ZINC000405268277 411421919 /nfs/dbraw/zinc/42/19/19/411421919.db2.gz QKYMGKCPZQAFQR-FRRDWIJNSA-N 1 2 222.332 0.846 20 0 BCADLO O[C@@H]1C[C@H]2C[N@H+]([C@@H]3C=CCCC3)CCN2C1 ZINC000405268277 411421923 /nfs/dbraw/zinc/42/19/23/411421923.db2.gz QKYMGKCPZQAFQR-FRRDWIJNSA-N 1 2 222.332 0.846 20 0 BCADLO C[C@H](C(=O)Nc1ccnn1C)[NH+]1CC(C)C1 ZINC000654668346 411426319 /nfs/dbraw/zinc/42/63/19/411426319.db2.gz JCXNIIRKDCIUNQ-SECBINFHSA-N 1 2 222.292 0.699 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCCC[C@H]1CO ZINC000122280163 411426671 /nfs/dbraw/zinc/42/66/71/411426671.db2.gz ZAELGSPPSASWBY-VIFPVBQESA-N 1 2 210.281 0.162 20 0 BCADLO Cn1cnnc1C[N@H+]1CCCC[C@H]1CO ZINC000122280163 411426673 /nfs/dbraw/zinc/42/66/73/411426673.db2.gz ZAELGSPPSASWBY-VIFPVBQESA-N 1 2 210.281 0.162 20 0 BCADLO CCN1CC[N@H+](CCc2ccncc2)CC1=O ZINC000273551736 411437209 /nfs/dbraw/zinc/43/72/09/411437209.db2.gz VIPUPPTXTUTZKO-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CCN1CC[N@@H+](CCc2ccncc2)CC1=O ZINC000273551736 411437212 /nfs/dbraw/zinc/43/72/12/411437212.db2.gz VIPUPPTXTUTZKO-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO Cc1nn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)o1 ZINC000657278872 411439246 /nfs/dbraw/zinc/43/92/46/411439246.db2.gz IXUCXRVQOFUYCM-IUCAKERBSA-N 1 2 241.291 0.254 20 0 BCADLO Cc1cc(NC(=O)C[C@@H](C)NC(N)=O)cc[nH+]1 ZINC000654774915 411443527 /nfs/dbraw/zinc/44/35/27/411443527.db2.gz UQOVMPIONBKJOT-MRVPVSSYSA-N 1 2 236.275 0.197 20 0 BCADLO CC[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657285806 411444013 /nfs/dbraw/zinc/44/40/13/411444013.db2.gz COGGETOFXWFUOY-QMMMGPOBSA-N 1 2 227.312 0.289 20 0 BCADLO COC[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000660376369 411445727 /nfs/dbraw/zinc/44/57/27/411445727.db2.gz MWRHIXHOIUPWNG-JQWIXIFHSA-N 1 2 239.319 0.656 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)nc(C)n1 ZINC000659830188 411466941 /nfs/dbraw/zinc/46/69/41/411466941.db2.gz FEXKRUBMZVFLJW-GFCCVEGCSA-N 1 2 248.330 0.933 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)nc(C)n1 ZINC000659830188 411466943 /nfs/dbraw/zinc/46/69/43/411466943.db2.gz FEXKRUBMZVFLJW-GFCCVEGCSA-N 1 2 248.330 0.933 20 0 BCADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccn(C)n1 ZINC000657491712 411532594 /nfs/dbraw/zinc/53/25/94/411532594.db2.gz ISPOAILMGXNXJN-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1=CCCOC1 ZINC000292149604 411468335 /nfs/dbraw/zinc/46/83/35/411468335.db2.gz BWPIIFQMIGVKJJ-ONEGZZNKSA-N 1 2 233.271 0.886 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)C1 ZINC000654996381 411472616 /nfs/dbraw/zinc/47/26/16/411472616.db2.gz RVNIDENHYSSUBW-SSDOTTSWSA-N 1 2 211.240 0.769 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(F)C1 ZINC000654996381 411472618 /nfs/dbraw/zinc/47/26/18/411472618.db2.gz RVNIDENHYSSUBW-SSDOTTSWSA-N 1 2 211.240 0.769 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC[C@@H]1O ZINC000127157647 411472703 /nfs/dbraw/zinc/47/27/03/411472703.db2.gz QCEYNNKALLHXHO-KOLCDFICSA-N 1 2 222.288 0.781 20 0 BCADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccn(C)n1 ZINC000657491711 411532840 /nfs/dbraw/zinc/53/28/40/411532840.db2.gz ISPOAILMGXNXJN-MRVPVSSYSA-N 1 2 205.265 0.994 20 0 BCADLO c1cc(C[NH2+]Cc2cnn3c2CCC3)n[nH]1 ZINC000657353879 411473892 /nfs/dbraw/zinc/47/38/92/411473892.db2.gz KNRNVYBWPJYNOD-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H]2CCN(C(C)C)C2=O)n1 ZINC000657361646 411477686 /nfs/dbraw/zinc/47/76/86/411477686.db2.gz HTCXBDCVJMNKOD-JTQLQIEISA-N 1 2 236.319 0.817 20 0 BCADLO Cc1c[nH]nc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000655051646 411485465 /nfs/dbraw/zinc/48/54/65/411485465.db2.gz LQTRVMJENCXCNL-UHFFFAOYSA-N 1 2 222.292 0.541 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@H](C)C(=O)N(C)C)n1 ZINC000657389244 411491046 /nfs/dbraw/zinc/49/10/46/411491046.db2.gz UDOTZFBRSHSSFC-MRVPVSSYSA-N 1 2 210.281 0.284 20 0 BCADLO Cc1c[nH]c(C[NH2+]C[C@@H]2CCCS2(=O)=O)n1 ZINC000657399061 411495582 /nfs/dbraw/zinc/49/55/82/411495582.db2.gz GXIRRZZPPPBSOX-VIFPVBQESA-N 1 2 243.332 0.385 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]2C[C@H]21 ZINC000655104893 411496158 /nfs/dbraw/zinc/49/61/58/411496158.db2.gz QSRCCZZYSRFCNI-IEBDPFPHSA-N 1 2 235.287 0.588 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H]2C[C@H]21 ZINC000655104893 411496159 /nfs/dbraw/zinc/49/61/59/411496159.db2.gz QSRCCZZYSRFCNI-IEBDPFPHSA-N 1 2 235.287 0.588 20 0 BCADLO COC[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659947855 411508375 /nfs/dbraw/zinc/50/83/75/411508375.db2.gz NSOUELXMRYEWEH-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO COC[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659947855 411508377 /nfs/dbraw/zinc/50/83/77/411508377.db2.gz NSOUELXMRYEWEH-SECBINFHSA-N 1 2 210.281 0.316 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H](CO)CCF)C1 ZINC000655166852 411508959 /nfs/dbraw/zinc/50/89/59/411508959.db2.gz ASJMMUOZNOCCRW-VIFPVBQESA-N 1 2 232.299 0.165 20 0 BCADLO CCN1OC[C@H]([N@H+]2C[C@@H](C)S[C@@H](C)C2)C1=O ZINC000659959682 411512531 /nfs/dbraw/zinc/51/25/31/411512531.db2.gz HZAUVXMLSJSLLI-AEJSXWLSSA-N 1 2 244.360 0.975 20 0 BCADLO CCN1OC[C@H]([N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1=O ZINC000659959682 411512533 /nfs/dbraw/zinc/51/25/33/411512533.db2.gz HZAUVXMLSJSLLI-AEJSXWLSSA-N 1 2 244.360 0.975 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657447062 411513537 /nfs/dbraw/zinc/51/35/37/411513537.db2.gz VPEKJGKPIOXMHG-VIFPVBQESA-N 1 2 224.308 0.675 20 0 BCADLO CCc1nnc(C[NH2+]Cc2cnn3c2CCC3)[nH]1 ZINC000657476437 411524601 /nfs/dbraw/zinc/52/46/01/411524601.db2.gz OZMBITKIBULOBC-UHFFFAOYSA-N 1 2 246.318 0.800 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000660008959 411527999 /nfs/dbraw/zinc/52/79/99/411527999.db2.gz IVKQPMWIDBFELT-GXSJLCMTSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000660008959 411528001 /nfs/dbraw/zinc/52/80/01/411528001.db2.gz IVKQPMWIDBFELT-GXSJLCMTSA-N 1 2 240.303 0.819 20 0 BCADLO Cn1cc[nH+]c1CNCc1nnn(C(C)(C)C)n1 ZINC000655831868 411528990 /nfs/dbraw/zinc/52/89/90/411528990.db2.gz MDLXTCGREIIWNO-UHFFFAOYSA-N 1 2 249.322 0.451 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC=C(C)CC1 ZINC000336472885 170001610 /nfs/dbraw/zinc/00/16/10/170001610.db2.gz PHZDAVRCUWUCHN-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC=C(C)CC1 ZINC000336472885 170001611 /nfs/dbraw/zinc/00/16/11/170001611.db2.gz PHZDAVRCUWUCHN-LBPRGKRZSA-N 1 2 238.331 0.886 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC(C)=O)C1 ZINC000372325883 170004091 /nfs/dbraw/zinc/00/40/91/170004091.db2.gz RBWMYPZKLISAGL-LLVKDONJSA-N 1 2 242.319 0.145 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC(C)=O)C1 ZINC000372325883 170004093 /nfs/dbraw/zinc/00/40/93/170004093.db2.gz RBWMYPZKLISAGL-LLVKDONJSA-N 1 2 242.319 0.145 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660111885 411538616 /nfs/dbraw/zinc/53/86/16/411538616.db2.gz GZCYLWLJUIZLMZ-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO C[C@@H]1COCCC[N@H+]1CCc1cnn[nH]1 ZINC000660111885 411538618 /nfs/dbraw/zinc/53/86/18/411538618.db2.gz GZCYLWLJUIZLMZ-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000660119681 411539697 /nfs/dbraw/zinc/53/96/97/411539697.db2.gz UFUZQGJPTLLEPM-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000660119681 411539699 /nfs/dbraw/zinc/53/96/99/411539699.db2.gz UFUZQGJPTLLEPM-QWRGUYRKSA-N 1 2 236.319 0.706 20 0 BCADLO CCNC(=O)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000356946583 170047421 /nfs/dbraw/zinc/04/74/21/170047421.db2.gz ZNGBNAIKDGULGW-QMMMGPOBSA-N 1 2 238.291 0.503 20 0 BCADLO CCNC(=O)C[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000337222648 170055634 /nfs/dbraw/zinc/05/56/34/170055634.db2.gz CWVYZTCNRSWRLY-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC(=O)OC)[C@@H](C)CC ZINC000337222648 170055635 /nfs/dbraw/zinc/05/56/35/170055635.db2.gz CWVYZTCNRSWRLY-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC(=O)N(C)C(C)C ZINC000061783891 170056595 /nfs/dbraw/zinc/05/65/95/170056595.db2.gz GYVOZHUGTLYEFM-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC(=O)N(C)C(C)C ZINC000061783891 170056597 /nfs/dbraw/zinc/05/65/97/170056597.db2.gz GYVOZHUGTLYEFM-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccnn1CC ZINC000119314812 170057432 /nfs/dbraw/zinc/05/74/32/170057432.db2.gz IGZPDPYDTYFNBI-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccnn1CC ZINC000119314812 170057434 /nfs/dbraw/zinc/05/74/34/170057434.db2.gz IGZPDPYDTYFNBI-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1c[nH]nc1C ZINC000119346260 170057455 /nfs/dbraw/zinc/05/74/55/170057455.db2.gz JGBBKFAOTHLPGF-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1c[nH]nc1C ZINC000119346260 170057456 /nfs/dbraw/zinc/05/74/56/170057456.db2.gz JGBBKFAOTHLPGF-UHFFFAOYSA-N 1 2 224.308 0.676 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1c(C)cnn1C ZINC000289106340 170057744 /nfs/dbraw/zinc/05/77/44/170057744.db2.gz MLKPVDVSEOWNHA-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1c(C)cnn1C ZINC000289106340 170057745 /nfs/dbraw/zinc/05/77/45/170057745.db2.gz MLKPVDVSEOWNHA-UHFFFAOYSA-N 1 2 238.335 0.687 20 0 BCADLO CCNC(=O)CN(CC)Cc1c[nH+]cn1C ZINC000176999478 170057907 /nfs/dbraw/zinc/05/79/07/170057907.db2.gz XKBJTAZRQKOKDF-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360555839 170060022 /nfs/dbraw/zinc/06/00/22/170060022.db2.gz CUTYQTKJQOURQA-NXEZZACHSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360555839 170060023 /nfs/dbraw/zinc/06/00/23/170060023.db2.gz CUTYQTKJQOURQA-NXEZZACHSA-N 1 2 242.319 0.396 20 0 BCADLO CCNC(=O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302795325 170066458 /nfs/dbraw/zinc/06/64/58/170066458.db2.gz ONCGSTHEHIGXFT-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CCNC(=O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302795325 170066459 /nfs/dbraw/zinc/06/64/59/170066459.db2.gz ONCGSTHEHIGXFT-UHFFFAOYSA-N 1 2 249.318 0.625 20 0 BCADLO CCNC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179772764 170074522 /nfs/dbraw/zinc/07/45/22/170074522.db2.gz JXIGCNQYEOKMJN-UHFFFAOYSA-N 1 2 237.307 0.257 20 0 BCADLO CCNC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179772764 170074523 /nfs/dbraw/zinc/07/45/23/170074523.db2.gz JXIGCNQYEOKMJN-UHFFFAOYSA-N 1 2 237.307 0.257 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCCN(C)C1=O ZINC000660141216 411544004 /nfs/dbraw/zinc/54/40/04/411544004.db2.gz AETUCXCOGRZREB-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO CN(Cc1cn(C)c[nH+]1)Cc1nccn1C ZINC000660138522 411544291 /nfs/dbraw/zinc/54/42/91/411544291.db2.gz WAUYZFOFKNBVBM-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO CCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000337772818 170079550 /nfs/dbraw/zinc/07/95/50/170079550.db2.gz OVMNRYGYDJYREN-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000337772818 170079552 /nfs/dbraw/zinc/07/95/52/170079552.db2.gz OVMNRYGYDJYREN-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ncc(C)n1C ZINC000309950465 170087581 /nfs/dbraw/zinc/08/75/81/170087581.db2.gz FWBFIOAFPLQRNX-SECBINFHSA-N 1 2 224.308 0.343 20 0 BCADLO CCNC(=O)[C@@H](C)NCc1[nH+]cc(C)n1C ZINC000309950465 170087582 /nfs/dbraw/zinc/08/75/82/170087582.db2.gz FWBFIOAFPLQRNX-SECBINFHSA-N 1 2 224.308 0.343 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000044296582 170094670 /nfs/dbraw/zinc/09/46/70/170094670.db2.gz FBEBYSKDTNZAOJ-QMMMGPOBSA-N 1 2 211.265 0.597 20 0 BCADLO CCNC(=O)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233502447 170096679 /nfs/dbraw/zinc/09/66/79/170096679.db2.gz FCPBQWCZJMWASA-YFKPBYRVSA-N 1 2 243.698 0.649 20 0 BCADLO CCNC(=O)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233502447 170096680 /nfs/dbraw/zinc/09/66/80/170096680.db2.gz FCPBQWCZJMWASA-YFKPBYRVSA-N 1 2 243.698 0.649 20 0 BCADLO C[N@H+](CCc1c[nH]nn1)C[C@@H](O)C(F)(F)F ZINC000660173688 411552086 /nfs/dbraw/zinc/55/20/86/411552086.db2.gz UFTZVPXLEDSWIL-SSDOTTSWSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@@H+](CCc1c[nH]nn1)C[C@@H](O)C(F)(F)F ZINC000660173688 411552088 /nfs/dbraw/zinc/55/20/88/411552088.db2.gz UFTZVPXLEDSWIL-SSDOTTSWSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@H+](CCc1cn[nH]n1)C[C@@H](O)C(F)(F)F ZINC000660173688 411552089 /nfs/dbraw/zinc/55/20/89/411552089.db2.gz UFTZVPXLEDSWIL-SSDOTTSWSA-N 1 2 238.213 0.202 20 0 BCADLO C[N@@H+](CCc1cn[nH]n1)C[C@@H](O)C(F)(F)F ZINC000660173688 411552091 /nfs/dbraw/zinc/55/20/91/411552091.db2.gz UFTZVPXLEDSWIL-SSDOTTSWSA-N 1 2 238.213 0.202 20 0 BCADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCOC1 ZINC000657541868 411547106 /nfs/dbraw/zinc/54/71/06/411547106.db2.gz GSJSSTFNQFCCCJ-KOLCDFICSA-N 1 2 225.292 0.551 20 0 BCADLO CC[C@H]1C[N@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660150927 411547524 /nfs/dbraw/zinc/54/75/24/411547524.db2.gz MXRQQQKTKIMXES-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO CC[C@H]1C[N@@H+](CCc2cnn[nH]2)C[C@H]1O ZINC000660150927 411547526 /nfs/dbraw/zinc/54/75/26/411547526.db2.gz MXRQQQKTKIMXES-WCBMZHEXSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@]1(CCCO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660159548 411548834 /nfs/dbraw/zinc/54/88/34/411548834.db2.gz CFYXQGCTDWAHLM-GFCCVEGCSA-N 1 2 238.335 0.974 20 0 BCADLO C[C@]1(CCCO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660159548 411548836 /nfs/dbraw/zinc/54/88/36/411548836.db2.gz CFYXQGCTDWAHLM-GFCCVEGCSA-N 1 2 238.335 0.974 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCCC(=O)OC ZINC000121529007 170187210 /nfs/dbraw/zinc/18/72/10/170187210.db2.gz ANUDCKNVVUCTFV-UHFFFAOYSA-N 1 2 231.292 0.871 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)N(C)C ZINC000336781336 170187487 /nfs/dbraw/zinc/18/74/87/170187487.db2.gz ULJCCMRNRGBMCF-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CCOC(=O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000309957995 170190926 /nfs/dbraw/zinc/19/09/26/170190926.db2.gz JMHJTTGPEQBHQB-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1nccn1C ZINC000050067370 170204611 /nfs/dbraw/zinc/20/46/11/170204611.db2.gz FZFDGFRTQBACPY-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000050067370 170204612 /nfs/dbraw/zinc/20/46/12/170204612.db2.gz FZFDGFRTQBACPY-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1nnnn1C ZINC000346232794 170204992 /nfs/dbraw/zinc/20/49/92/170204992.db2.gz BLHKILOINVDRQU-MRVPVSSYSA-N 1 2 241.295 0.156 20 0 BCADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000346232794 170204994 /nfs/dbraw/zinc/20/49/94/170204994.db2.gz BLHKILOINVDRQU-MRVPVSSYSA-N 1 2 241.295 0.156 20 0 BCADLO CCOC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362070051 170206934 /nfs/dbraw/zinc/20/69/34/170206934.db2.gz VZNJXFYDWDCSLL-NXEZZACHSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362070053 170207571 /nfs/dbraw/zinc/20/75/71/170207571.db2.gz VZNJXFYDWDCSLL-UWVGGRQHSA-N 1 2 247.360 0.781 20 0 BCADLO CCOC(=O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000042694105 170213350 /nfs/dbraw/zinc/21/33/50/170213350.db2.gz REZIEQYBGCGXQW-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO CCOC(=O)C[N@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000342118909 170218130 /nfs/dbraw/zinc/21/81/30/170218130.db2.gz CXSIHQRRDCCCIF-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[N@@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000342118909 170218131 /nfs/dbraw/zinc/21/81/31/170218131.db2.gz CXSIHQRRDCCCIF-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000363489383 170219121 /nfs/dbraw/zinc/21/91/21/170219121.db2.gz LJQWPDKFDRHPGK-UHFFFAOYSA-N 1 2 238.291 0.478 20 0 BCADLO CCOC(=O)C[NH+]1CCC(OCCOC)CC1 ZINC000116994448 170219609 /nfs/dbraw/zinc/21/96/09/170219609.db2.gz QFXJQSXZZDBPNP-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000374368841 170219999 /nfs/dbraw/zinc/21/99/99/170219999.db2.gz WHKYNFQYGMRHCA-SECBINFHSA-N 1 2 201.266 0.518 20 0 BCADLO CCOC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000374368841 170220001 /nfs/dbraw/zinc/22/00/01/170220001.db2.gz WHKYNFQYGMRHCA-SECBINFHSA-N 1 2 201.266 0.518 20 0 BCADLO CCOC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000341893720 170220756 /nfs/dbraw/zinc/22/07/56/170220756.db2.gz SJBRLYRBXXWHDC-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000341893720 170220757 /nfs/dbraw/zinc/22/07/57/170220757.db2.gz SJBRLYRBXXWHDC-VIFPVBQESA-N 1 2 233.333 0.349 20 0 BCADLO CCOC(=O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000336675766 170226615 /nfs/dbraw/zinc/22/66/15/170226615.db2.gz BCSISBDUNUBIJZ-NSHDSACASA-N 1 2 231.292 0.335 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000365118597 170227411 /nfs/dbraw/zinc/22/74/11/170227411.db2.gz VXZSIUDOGWJNLM-NSHDSACASA-N 1 2 249.314 0.795 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660232844 411557074 /nfs/dbraw/zinc/55/70/74/411557074.db2.gz NMQSURDHMHGDEK-RKDXNWHRSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H](O)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660232844 411557075 /nfs/dbraw/zinc/55/70/75/411557075.db2.gz NMQSURDHMHGDEK-RKDXNWHRSA-N 1 2 210.281 0.050 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](COC)OC ZINC000660238410 411557455 /nfs/dbraw/zinc/55/74/55/411557455.db2.gz KUXPLANWLCNXPC-NSHDSACASA-N 1 2 242.323 0.298 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](COC)OC ZINC000660238410 411557457 /nfs/dbraw/zinc/55/74/57/411557457.db2.gz KUXPLANWLCNXPC-NSHDSACASA-N 1 2 242.323 0.298 20 0 BCADLO COc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)on1 ZINC000660239786 411557688 /nfs/dbraw/zinc/55/76/88/411557688.db2.gz TUBOGLNFTMTKEZ-LLVKDONJSA-N 1 2 242.275 0.266 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)on1 ZINC000660239786 411557689 /nfs/dbraw/zinc/55/76/89/411557689.db2.gz TUBOGLNFTMTKEZ-LLVKDONJSA-N 1 2 242.275 0.266 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000353505356 170246362 /nfs/dbraw/zinc/24/63/62/170246362.db2.gz CZIWBGZSFYECQK-AFPNSQJFSA-N 1 2 201.266 0.393 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)C1CC(O)C1 ZINC000353505356 170246364 /nfs/dbraw/zinc/24/63/64/170246364.db2.gz CZIWBGZSFYECQK-AFPNSQJFSA-N 1 2 201.266 0.393 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOCCOC ZINC000336662553 170247057 /nfs/dbraw/zinc/24/70/57/170247057.db2.gz OOWGLZGXFRJEGC-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOCCOC ZINC000336662553 170247058 /nfs/dbraw/zinc/24/70/58/170247058.db2.gz OOWGLZGXFRJEGC-SNVBAGLBSA-N 1 2 233.308 0.533 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191706299 170268402 /nfs/dbraw/zinc/26/84/02/170268402.db2.gz DTPGWDMIWYVNFE-XHNCKOQMSA-N 1 2 203.282 0.951 20 0 BCADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000309671759 170269598 /nfs/dbraw/zinc/26/95/98/170269598.db2.gz WGRGPFPYAJRWDZ-HLTSFMKQSA-N 1 2 231.292 0.725 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CCNC(=O)CC1 ZINC000082761108 170271137 /nfs/dbraw/zinc/27/11/37/170271137.db2.gz ZNDHXBCLNVDPFO-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CCNC(=O)CC1 ZINC000082761108 170271138 /nfs/dbraw/zinc/27/11/38/170271138.db2.gz ZNDHXBCLNVDPFO-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510857 170271788 /nfs/dbraw/zinc/27/17/88/170271788.db2.gz DYTJQOGSXYBLFO-BDAKNGLRSA-N 1 2 243.307 0.485 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510857 170271790 /nfs/dbraw/zinc/27/17/90/170271790.db2.gz DYTJQOGSXYBLFO-BDAKNGLRSA-N 1 2 243.307 0.485 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)CS1(=O)=O ZINC000657636532 411567846 /nfs/dbraw/zinc/56/78/46/411567846.db2.gz GZXIJBQBQKFLAX-IUCAKERBSA-N 1 2 243.332 0.465 20 0 BCADLO COCc1nnc(C[NH2+]CC(C)(C)COC)[nH]1 ZINC000657609242 411562640 /nfs/dbraw/zinc/56/26/40/411562640.db2.gz LPMFAGWNANAVLG-UHFFFAOYSA-N 1 2 242.323 0.713 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC000657610322 411562691 /nfs/dbraw/zinc/56/26/91/411562691.db2.gz ZGRBRONQTBDMGD-DJLDLDEBSA-N 1 2 240.307 0.607 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[nH]1 ZINC000657610322 411562693 /nfs/dbraw/zinc/56/26/93/411562693.db2.gz ZGRBRONQTBDMGD-DJLDLDEBSA-N 1 2 240.307 0.607 20 0 BCADLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CC(N)=O ZINC000370567446 170278754 /nfs/dbraw/zinc/27/87/54/170278754.db2.gz CDQRIWCAUBBMES-SECBINFHSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)[C@H]1CCCCC[N@H+]1CC(N)=O ZINC000370567446 170278755 /nfs/dbraw/zinc/27/87/55/170278755.db2.gz CDQRIWCAUBBMES-SECBINFHSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000330438020 170283340 /nfs/dbraw/zinc/28/33/40/170283340.db2.gz NLRLZPJSIWLSBE-JOYOIKCWSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000330438020 170283342 /nfs/dbraw/zinc/28/33/42/170283342.db2.gz NLRLZPJSIWLSBE-JOYOIKCWSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccon1 ZINC000354932821 170284982 /nfs/dbraw/zinc/28/49/82/170284982.db2.gz TZOYPSKZLPEOGW-LDYMZIIASA-N 1 2 242.275 0.639 20 0 BCADLO CCN1CCN(Cc2cn(C)c[nH+]2)CC1=O ZINC000660275557 411564155 /nfs/dbraw/zinc/56/41/55/411564155.db2.gz WEFCWFVATNZCBT-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO C[C@H]1CC[N@H+](Cc2cn(C)cn2)[C@H](C(N)=O)C1 ZINC000660332763 411571148 /nfs/dbraw/zinc/57/11/48/411571148.db2.gz UWPVGXQHSUPDPS-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2cn(C)cn2)[C@H](C(N)=O)C1 ZINC000660332763 411571149 /nfs/dbraw/zinc/57/11/49/411571149.db2.gz UWPVGXQHSUPDPS-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)[C@H](C(N)=O)C1 ZINC000660332763 411571151 /nfs/dbraw/zinc/57/11/51/411571151.db2.gz UWPVGXQHSUPDPS-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO COC[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000660370875 411573722 /nfs/dbraw/zinc/57/37/22/411573722.db2.gz GFSOPGGUQRJLTF-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO COC[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000660370875 411573723 /nfs/dbraw/zinc/57/37/23/411573723.db2.gz GFSOPGGUQRJLTF-IUCAKERBSA-N 1 2 239.262 0.350 20 0 BCADLO Cn1c[nH+]c(CN2CC(F)(F)C[C@@H]2CO)c1 ZINC000660369166 411573734 /nfs/dbraw/zinc/57/37/34/411573734.db2.gz NHWRLYABVSXQMR-SECBINFHSA-N 1 2 231.246 0.622 20 0 BCADLO CCOC1C[NH+](Cc2cn(C)nc2C)C1 ZINC000297481218 170336796 /nfs/dbraw/zinc/33/67/96/170336796.db2.gz SGQUJLIRRKBBIT-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CCOC1C[NH+](Cc2cnn(CCOC)c2)C1 ZINC000297487832 170337199 /nfs/dbraw/zinc/33/71/99/170337199.db2.gz SVAITPQFPQFMJH-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO CCOCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000266105938 170344789 /nfs/dbraw/zinc/34/47/89/170344789.db2.gz RJFOHMWBYWOALE-JTQLQIEISA-N 1 2 225.292 0.672 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000660322945 411568529 /nfs/dbraw/zinc/56/85/29/411568529.db2.gz OYQTVIAXSKWUQU-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000660322945 411568530 /nfs/dbraw/zinc/56/85/30/411568530.db2.gz OYQTVIAXSKWUQU-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000660321013 411568883 /nfs/dbraw/zinc/56/88/83/411568883.db2.gz AXLRCKMFSXCPBM-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCC(=O)[C@H](C)C2)C1=O ZINC000660321013 411568885 /nfs/dbraw/zinc/56/88/85/411568885.db2.gz AXLRCKMFSXCPBM-NXEZZACHSA-N 1 2 224.304 0.518 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CCC1=O ZINC000660321918 411569015 /nfs/dbraw/zinc/56/90/15/411569015.db2.gz HUVUZGCZSHCGAJ-SECBINFHSA-N 1 2 207.277 0.831 20 0 BCADLO CCOCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000278586066 170376775 /nfs/dbraw/zinc/37/67/75/170376775.db2.gz JZLTUROKMVKQGG-UHFFFAOYSA-N 1 2 225.292 0.803 20 0 BCADLO CCOCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000278586066 170376777 /nfs/dbraw/zinc/37/67/77/170376777.db2.gz JZLTUROKMVKQGG-UHFFFAOYSA-N 1 2 225.292 0.803 20 0 BCADLO CCOCCCNC(=O)NCc1[nH+]ccn1C ZINC000264087471 170378052 /nfs/dbraw/zinc/37/80/52/170378052.db2.gz SCAWDYBVZCNMQV-UHFFFAOYSA-N 1 2 240.307 0.646 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660331617 411569989 /nfs/dbraw/zinc/56/99/89/411569989.db2.gz VGWPYANMNHCOES-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@H]1O ZINC000660331617 411569992 /nfs/dbraw/zinc/56/99/92/411569992.db2.gz VGWPYANMNHCOES-PSASIEDQSA-N 1 2 210.281 0.050 20 0 BCADLO O=C(Nc1ccon1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639904347 411623181 /nfs/dbraw/zinc/62/31/81/411623181.db2.gz IXOUSSPULFCFCZ-ZETCQYMHSA-N 1 2 233.231 0.618 20 0 BCADLO CC[C@@H]1NC(=O)N([C@H](C)c2[nH+]ccn2C)C1=O ZINC000663328064 411626267 /nfs/dbraw/zinc/62/62/67/411626267.db2.gz OCAFQESCGOPDCF-SFYZADRCSA-N 1 2 236.275 0.812 20 0 BCADLO C[C@H](c1[nH+]ccn1C)N1C(=O)[C@H]2CCCN2C1=O ZINC000663327973 411627027 /nfs/dbraw/zinc/62/70/27/411627027.db2.gz MVMIDFGUDQRTLX-RKDXNWHRSA-N 1 2 248.286 0.908 20 0 BCADLO COCCn1ccc(NCc2[nH+]cc(C)n2C)n1 ZINC000341047623 411627253 /nfs/dbraw/zinc/62/72/53/411627253.db2.gz RCOSJQRQEAOBSS-UHFFFAOYSA-N 1 2 249.318 1.184 20 0 BCADLO COCCn1ccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000582132927 411627740 /nfs/dbraw/zinc/62/77/40/411627740.db2.gz CRVBDUNTCMBVLU-UHFFFAOYSA-N 1 2 249.318 1.482 20 0 BCADLO CCN1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000450759547 411637490 /nfs/dbraw/zinc/63/74/90/411637490.db2.gz KKUDKCQDWOIQPZ-JTQLQIEISA-N 1 2 246.314 1.387 20 0 BCADLO Cc1cc(NCC(C)(C)OCCO)nc[nH+]1 ZINC000336655705 411644003 /nfs/dbraw/zinc/64/40/03/411644003.db2.gz LALABLYTSVCYBI-UHFFFAOYSA-N 1 2 225.292 0.984 20 0 BCADLO CCc1nocc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000660390117 411578256 /nfs/dbraw/zinc/57/82/56/411578256.db2.gz CYDVBEFGABWAEB-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO CCc1nocc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000660390117 411578257 /nfs/dbraw/zinc/57/82/57/411578257.db2.gz CYDVBEFGABWAEB-VIFPVBQESA-N 1 2 237.303 0.947 20 0 BCADLO Cc1nc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)co1 ZINC000660457218 411588202 /nfs/dbraw/zinc/58/82/02/411588202.db2.gz KJTDULTXDJWULJ-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)co1 ZINC000660457218 411588204 /nfs/dbraw/zinc/58/82/04/411588204.db2.gz KJTDULTXDJWULJ-CABZTGNLSA-N 1 2 240.303 0.955 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CON(CC)C2=O)CCCO1 ZINC000660469004 411589622 /nfs/dbraw/zinc/58/96/22/411589622.db2.gz MLWWBPPLCBWGGY-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CON(CC)C2=O)CCCO1 ZINC000660469004 411589624 /nfs/dbraw/zinc/58/96/24/411589624.db2.gz MLWWBPPLCBWGGY-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@@H](C)C1 ZINC000660475960 411590250 /nfs/dbraw/zinc/59/02/50/411590250.db2.gz DDFLFNQTOBVBKY-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@@H](C)C1 ZINC000660475960 411590252 /nfs/dbraw/zinc/59/02/52/411590252.db2.gz DDFLFNQTOBVBKY-GXSJLCMTSA-N 1 2 224.308 0.847 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@H](C)OC)C1=O ZINC000660552014 411599273 /nfs/dbraw/zinc/59/92/73/411599273.db2.gz OYNSKHDWVHWWBU-DTWKUNHWSA-N 1 2 216.281 0.115 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@H](C)OC)C1=O ZINC000660552014 411599275 /nfs/dbraw/zinc/59/92/75/411599275.db2.gz OYNSKHDWVHWWBU-DTWKUNHWSA-N 1 2 216.281 0.115 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3cn[nH]c3)C2)[nH]1 ZINC000660557131 411599380 /nfs/dbraw/zinc/59/93/80/411599380.db2.gz KCYFHGKTJWAOMO-SECBINFHSA-N 1 2 248.290 0.613 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)[nH]1 ZINC000660557131 411599381 /nfs/dbraw/zinc/59/93/81/411599381.db2.gz KCYFHGKTJWAOMO-SECBINFHSA-N 1 2 248.290 0.613 20 0 BCADLO O=C1C[C@@H](C[N@H+]2CCOCC(F)(F)C2)CN1 ZINC000660559542 411600353 /nfs/dbraw/zinc/60/03/53/411600353.db2.gz DZOUOJDQALOSRO-MRVPVSSYSA-N 1 2 234.246 0.090 20 0 BCADLO O=C1C[C@@H](C[N@@H+]2CCOCC(F)(F)C2)CN1 ZINC000660559542 411600355 /nfs/dbraw/zinc/60/03/55/411600355.db2.gz DZOUOJDQALOSRO-MRVPVSSYSA-N 1 2 234.246 0.090 20 0 BCADLO Cc1nc(C[N@@H+](CCO)C[C@@H](C)O)c(C)o1 ZINC000660564892 411600898 /nfs/dbraw/zinc/60/08/98/411600898.db2.gz ZAWNFMUFVZOBJD-MRVPVSSYSA-N 1 2 228.292 0.467 20 0 BCADLO Cc1nc(C[N@H+](CCO)C[C@@H](C)O)c(C)o1 ZINC000660564892 411600900 /nfs/dbraw/zinc/60/09/00/411600900.db2.gz ZAWNFMUFVZOBJD-MRVPVSSYSA-N 1 2 228.292 0.467 20 0 BCADLO c1cc(CN2CCn3c[nH+]cc3C2)on1 ZINC000660577287 411603041 /nfs/dbraw/zinc/60/30/41/411603041.db2.gz IWAJVEXIPJYHKX-UHFFFAOYSA-N 1 2 204.233 0.887 20 0 BCADLO Nc1ccnc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660582704 411603226 /nfs/dbraw/zinc/60/32/26/411603226.db2.gz WSDZVFZJJFFTOW-UHFFFAOYSA-N 1 2 230.275 0.271 20 0 BCADLO Cc1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)nn1C ZINC000657814554 411604771 /nfs/dbraw/zinc/60/47/71/411604771.db2.gz CRDGFGKUKUCNBN-VIFPVBQESA-N 1 2 245.348 0.251 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc(OC)no1 ZINC000660616187 411607775 /nfs/dbraw/zinc/60/77/75/411607775.db2.gz AIYUTJBTMXUBGB-UHFFFAOYSA-N 1 2 227.264 0.381 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc(OC)no1 ZINC000660616187 411607776 /nfs/dbraw/zinc/60/77/76/411607776.db2.gz AIYUTJBTMXUBGB-UHFFFAOYSA-N 1 2 227.264 0.381 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@@H+]1CCc1cn[nH]n1 ZINC000660628924 411609643 /nfs/dbraw/zinc/60/96/43/411609643.db2.gz DGRHYJBNJCWKKD-GFCCVEGCSA-N 1 2 237.351 0.619 20 0 BCADLO CC(C)[C@H]1CN(C)CC[N@H+]1CCc1cn[nH]n1 ZINC000660628924 411609644 /nfs/dbraw/zinc/60/96/44/411609644.db2.gz DGRHYJBNJCWKKD-GFCCVEGCSA-N 1 2 237.351 0.619 20 0 BCADLO O[C@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660647699 411612401 /nfs/dbraw/zinc/61/24/01/411612401.db2.gz TYWYLGFRUNQOCI-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO O[C@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660647699 411612402 /nfs/dbraw/zinc/61/24/02/411612402.db2.gz TYWYLGFRUNQOCI-JTQLQIEISA-N 1 2 210.281 0.194 20 0 BCADLO CC[C@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728416 411619399 /nfs/dbraw/zinc/61/93/99/411619399.db2.gz SFYNETBNRUGBPL-QMMMGPOBSA-N 1 2 205.323 0.904 20 0 BCADLO OCCC[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660761042 411621438 /nfs/dbraw/zinc/62/14/38/411621438.db2.gz VPXXZFNTIWNCLT-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO OCCC[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660761042 411621440 /nfs/dbraw/zinc/62/14/40/411621440.db2.gz VPXXZFNTIWNCLT-SNVBAGLBSA-N 1 2 224.308 0.442 20 0 BCADLO NC(=O)C[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC000660759547 411621867 /nfs/dbraw/zinc/62/18/67/411621867.db2.gz DBOHIUNIYLIGSK-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@H]1COCC[N@H+]1Cc1cncs1 ZINC000660759547 411621869 /nfs/dbraw/zinc/62/18/69/411621869.db2.gz DBOHIUNIYLIGSK-QMMMGPOBSA-N 1 2 241.316 0.219 20 0 BCADLO CN(CC(=O)Nc1cnccn1)Cc1c[nH+]c[nH]1 ZINC000661094169 411705438 /nfs/dbraw/zinc/70/54/38/411705438.db2.gz VBARVHLNCSQSJI-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO CN(CC(=O)Nc1cnccn1)Cc1c[nH]c[nH+]1 ZINC000661094169 411705441 /nfs/dbraw/zinc/70/54/41/411705441.db2.gz VBARVHLNCSQSJI-UHFFFAOYSA-N 1 2 246.274 0.270 20 0 BCADLO c1nc(NC[C@H]2CCCO2)c2c([nH+]1)NCCO2 ZINC000647844502 411706172 /nfs/dbraw/zinc/70/61/72/411706172.db2.gz HMPQFYUTVGDKIM-MRVPVSSYSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc2c(c(NC[C@H]3CCCO3)[nH+]1)OCCN2 ZINC000647844502 411706175 /nfs/dbraw/zinc/70/61/75/411706175.db2.gz HMPQFYUTVGDKIM-MRVPVSSYSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc(NCC[NH+]2CCOCC2)cc(C2CC2)n1 ZINC000641252140 411707378 /nfs/dbraw/zinc/70/73/78/411707378.db2.gz HOBCOYHXNPQCFU-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BCADLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)ncn1 ZINC000333459425 411647703 /nfs/dbraw/zinc/64/77/03/411647703.db2.gz PEHYLDYYTQPTII-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BCADLO Cc1cc(NCCCc2c[nH][nH]c2=O)nc[nH+]1 ZINC000631361449 411648290 /nfs/dbraw/zinc/64/82/90/411648290.db2.gz MFLYHEUDHAFUGW-SECBINFHSA-N 1 2 233.275 0.709 20 0 BCADLO Cc1cc(NC[C@@H]2CC[C@@H](CO)O2)nc[nH+]1 ZINC000348226082 411648864 /nfs/dbraw/zinc/64/88/64/411648864.db2.gz UAFSMYBWDBJPAP-UWVGGRQHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NCCc2nccnc2C)nc[nH+]1 ZINC000338789178 411649889 /nfs/dbraw/zinc/64/98/89/411649889.db2.gz UKBYHDBLOFHYJS-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO Cc1cc(NCCNC(N)=O)nc(C2CC2)[nH+]1 ZINC000608086271 411650128 /nfs/dbraw/zinc/65/01/28/411650128.db2.gz AVSMPTYZLZJJET-UHFFFAOYSA-N 1 2 235.291 0.743 20 0 BCADLO Cc1cc(NC[C@H](CO)C2CC2)nc[nH+]1 ZINC000336744652 411650272 /nfs/dbraw/zinc/65/02/72/411650272.db2.gz ZRLXMUWZWLLDNM-SNVBAGLBSA-N 1 2 207.277 1.215 20 0 BCADLO Cc1cc(NC[C@@H](CO)C2CC2)nc[nH+]1 ZINC000336744651 411650843 /nfs/dbraw/zinc/65/08/43/411650843.db2.gz ZRLXMUWZWLLDNM-JTQLQIEISA-N 1 2 207.277 1.215 20 0 BCADLO Cc1cc(NC[C@](C)(O)CO)nc(C2CC2)[nH+]1 ZINC000360125304 411652143 /nfs/dbraw/zinc/65/21/43/411652143.db2.gz XKDUQJHCEOARCC-LBPRGKRZSA-N 1 2 237.303 0.818 20 0 BCADLO Cc1cc(NC[C@H]2CC[C@H](CO)O2)nc[nH+]1 ZINC000348226080 411653642 /nfs/dbraw/zinc/65/36/42/411653642.db2.gz UAFSMYBWDBJPAP-NXEZZACHSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1cc(NCc2cnc(C)[nH]c2=O)nc[nH+]1 ZINC000343610499 411654332 /nfs/dbraw/zinc/65/43/32/411654332.db2.gz XSXRKRLXRONXDU-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BCADLO Cc1cc(NCc2nnn(C)n2)nc(C(C)C)[nH+]1 ZINC000398076593 411654834 /nfs/dbraw/zinc/65/48/34/411654834.db2.gz BVTOYDNLVHTAIK-UHFFFAOYSA-N 1 2 247.306 1.044 20 0 BCADLO Cc1cc(NCc2ncccc2O)nc[nH+]1 ZINC000336730047 411655048 /nfs/dbraw/zinc/65/50/48/411655048.db2.gz IBURUQBCSPKZPL-UHFFFAOYSA-N 1 2 216.244 1.498 20 0 BCADLO CN(Cc1n[nH]c(=O)o1)Cc1[nH]cc[nH+]1 ZINC000660848714 411656617 /nfs/dbraw/zinc/65/66/17/411656617.db2.gz LIUBSMHPHDJSKE-UHFFFAOYSA-N 1 2 209.209 0.130 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccnc(N)c1 ZINC000660844314 411656668 /nfs/dbraw/zinc/65/66/68/411656668.db2.gz HAUHIWJIUYZYGL-UHFFFAOYSA-N 1 2 235.247 0.384 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccnc(N)c1 ZINC000660844314 411656671 /nfs/dbraw/zinc/65/66/71/411656671.db2.gz HAUHIWJIUYZYGL-UHFFFAOYSA-N 1 2 235.247 0.384 20 0 BCADLO CC(C)OCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845098 411656851 /nfs/dbraw/zinc/65/68/51/411656851.db2.gz JKRUMWPTJWHXDS-UHFFFAOYSA-N 1 2 215.253 0.632 20 0 BCADLO CC(C)OCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845098 411656853 /nfs/dbraw/zinc/65/68/53/411656853.db2.gz JKRUMWPTJWHXDS-UHFFFAOYSA-N 1 2 215.253 0.632 20 0 BCADLO Cc1cc(N[C@H](C)CC(N)=O)nc(C2CC2)[nH+]1 ZINC000361042715 411658712 /nfs/dbraw/zinc/65/87/12/411658712.db2.gz CEUZUPOSFORSOY-SSDOTTSWSA-N 1 2 234.303 1.338 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1coc(C)n1 ZINC000660902265 411665617 /nfs/dbraw/zinc/66/56/17/411665617.db2.gz KVGSPJYZMNOECP-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1coc(C)n1 ZINC000660902265 411665619 /nfs/dbraw/zinc/66/56/19/411665619.db2.gz KVGSPJYZMNOECP-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCOC(=O)C1(CNc2cc(C)[nH+]cn2)CC1 ZINC000351563350 411667824 /nfs/dbraw/zinc/66/78/24/411667824.db2.gz NGTAGXZEQHIABS-UHFFFAOYSA-N 1 2 235.287 1.540 20 0 BCADLO CO[C@@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000342459489 411669026 /nfs/dbraw/zinc/66/90/26/411669026.db2.gz PKYAVIBSVQGNQR-SFYZADRCSA-N 1 2 239.323 1.081 20 0 BCADLO CO[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000342459489 411669032 /nfs/dbraw/zinc/66/90/32/411669032.db2.gz PKYAVIBSVQGNQR-SFYZADRCSA-N 1 2 239.323 1.081 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1=O ZINC000660921979 411674955 /nfs/dbraw/zinc/67/49/55/411674955.db2.gz GCFVYBHLCVRFBO-PSASIEDQSA-N 1 2 246.257 0.880 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)C1=O ZINC000660921979 411674960 /nfs/dbraw/zinc/67/49/60/411674960.db2.gz GCFVYBHLCVRFBO-PSASIEDQSA-N 1 2 246.257 0.880 20 0 BCADLO Cc1noc(CN(C)Cc2cn(C)c[nH+]2)n1 ZINC000660927398 411678060 /nfs/dbraw/zinc/67/80/60/411678060.db2.gz ZGKUXFKZYIBVCW-UHFFFAOYSA-N 1 2 221.264 0.744 20 0 BCADLO COc1c(C)[nH+]cnc1NCC1COC1 ZINC000624689178 411679083 /nfs/dbraw/zinc/67/90/83/411679083.db2.gz YCZRFNCMLIXHGM-UHFFFAOYSA-N 1 2 209.249 0.852 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1COC1 ZINC000528227470 411679879 /nfs/dbraw/zinc/67/98/79/411679879.db2.gz SVLJUKPHIINYQY-UHFFFAOYSA-N 1 2 210.237 0.126 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1COC1 ZINC000528227470 411679884 /nfs/dbraw/zinc/67/98/84/411679884.db2.gz SVLJUKPHIINYQY-UHFFFAOYSA-N 1 2 210.237 0.126 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1=CCOCC1 ZINC000570342759 411680296 /nfs/dbraw/zinc/68/02/96/411680296.db2.gz CJAKOBQXYSTJDU-UHFFFAOYSA-N 1 2 236.275 0.826 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1=CCOCC1 ZINC000570342759 411680299 /nfs/dbraw/zinc/68/02/99/411680299.db2.gz CJAKOBQXYSTJDU-UHFFFAOYSA-N 1 2 236.275 0.826 20 0 BCADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931253 411680901 /nfs/dbraw/zinc/68/09/01/411680901.db2.gz RRTVGCGXIPEWDJ-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931253 411680906 /nfs/dbraw/zinc/68/09/06/411680906.db2.gz RRTVGCGXIPEWDJ-IUCAKERBSA-N 1 2 207.281 0.585 20 0 BCADLO COc1c(N)[nH+]cnc1NCC[C@H](C)F ZINC000568248646 411681780 /nfs/dbraw/zinc/68/17/80/411681780.db2.gz WVZRJKYVYGRAAA-LURJTMIESA-N 1 2 214.244 1.227 20 0 BCADLO COc1c(N)nc[nH+]c1NCC[C@H](C)F ZINC000568248646 411681782 /nfs/dbraw/zinc/68/17/82/411681782.db2.gz WVZRJKYVYGRAAA-LURJTMIESA-N 1 2 214.244 1.227 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1oc(C)nc1C ZINC000385492561 411682633 /nfs/dbraw/zinc/68/26/33/411682633.db2.gz INDILVHFVQSVAD-UHFFFAOYSA-N 1 2 249.274 1.284 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1oc(C)nc1C ZINC000385492561 411682638 /nfs/dbraw/zinc/68/26/38/411682638.db2.gz INDILVHFVQSVAD-UHFFFAOYSA-N 1 2 249.274 1.284 20 0 BCADLO OC[C@@H](O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631170977 411689713 /nfs/dbraw/zinc/68/97/13/411689713.db2.gz SVMBCLHDHSIIHP-QMMMGPOBSA-N 1 2 248.286 0.600 20 0 BCADLO OCc1ccc(NCc2cc[nH]c2)[nH+]c1 ZINC000336740371 411691614 /nfs/dbraw/zinc/69/16/14/411691614.db2.gz UJEHCZGUIFBNNO-UHFFFAOYSA-N 1 2 203.245 1.514 20 0 BCADLO OCc1ccnc(NCCCCn2cc[nH+]c2)n1 ZINC000547342109 411692023 /nfs/dbraw/zinc/69/20/23/411692023.db2.gz RYVLIWLRXFFAJZ-UHFFFAOYSA-N 1 2 247.302 1.058 20 0 BCADLO O[C@@H]1CCOC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000631530384 411695264 /nfs/dbraw/zinc/69/52/64/411695264.db2.gz YFFGTPYFFIHABK-NXEZZACHSA-N 1 2 235.287 0.916 20 0 BCADLO CN(CC(=O)NC1CCCC1)Cc1c[nH+]c[nH]1 ZINC000661083198 411696925 /nfs/dbraw/zinc/69/69/25/411696925.db2.gz APSZESWLYPLJLW-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO CN(CC(=O)NC1CCCC1)Cc1c[nH]c[nH+]1 ZINC000661083198 411696930 /nfs/dbraw/zinc/69/69/30/411696930.db2.gz APSZESWLYPLJLW-UHFFFAOYSA-N 1 2 236.319 0.900 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661083228 411696955 /nfs/dbraw/zinc/69/69/55/411696955.db2.gz BCNPYGGNWYLHEP-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661083228 411696957 /nfs/dbraw/zinc/69/69/57/411696957.db2.gz BCNPYGGNWYLHEP-NSHDSACASA-N 1 2 227.308 0.627 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1nnnn1C1CC1 ZINC000661083531 411697197 /nfs/dbraw/zinc/69/71/97/411697197.db2.gz DSXNSDIIFJXFCP-UHFFFAOYSA-N 1 2 233.279 0.363 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1nnnn1C1CC1 ZINC000661083531 411697199 /nfs/dbraw/zinc/69/71/99/411697199.db2.gz DSXNSDIIFJXFCP-UHFFFAOYSA-N 1 2 233.279 0.363 20 0 BCADLO COc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000493200486 411697359 /nfs/dbraw/zinc/69/73/59/411697359.db2.gz DXAFIIGYCPGVTN-ARJAWSKDSA-N 1 2 247.258 0.804 20 0 BCADLO C[C@H](CN(C)Cc1c[nH+]c[nH]1)CS(C)(=O)=O ZINC000661084269 411697465 /nfs/dbraw/zinc/69/74/65/411697465.db2.gz DKKWCIZOJHCRBT-SECBINFHSA-N 1 2 245.348 0.522 20 0 BCADLO C[C@H](CN(C)Cc1c[nH]c[nH+]1)CS(C)(=O)=O ZINC000661084269 411697469 /nfs/dbraw/zinc/69/74/69/411697469.db2.gz DKKWCIZOJHCRBT-SECBINFHSA-N 1 2 245.348 0.522 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1ncccn1 ZINC000661089490 411699510 /nfs/dbraw/zinc/69/95/10/411699510.db2.gz AYQZIUMXFHABLW-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1ncccn1 ZINC000661089490 411699512 /nfs/dbraw/zinc/69/95/12/411699512.db2.gz AYQZIUMXFHABLW-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO COc1cc(NC(=O)CCc2[nH]cc[nH+]2)nn1C ZINC000571909607 411699593 /nfs/dbraw/zinc/69/95/93/411699593.db2.gz OASIIWLVPRJEOZ-UHFFFAOYSA-N 1 2 249.274 0.723 20 0 BCADLO Cn1cc[nH+]c1CNc1ncnc2c1nnn2C ZINC000663539163 411700382 /nfs/dbraw/zinc/70/03/82/411700382.db2.gz ITVNMPLGBCXJMQ-UHFFFAOYSA-N 1 2 244.262 0.104 20 0 BCADLO c1cc(NC2COCCOC2)nc(C2CC2)[nH+]1 ZINC000644137362 411700749 /nfs/dbraw/zinc/70/07/49/411700749.db2.gz BJCPDDADNVRPCV-UHFFFAOYSA-N 1 2 235.287 1.181 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC(=O)N1 ZINC000661091710 411701648 /nfs/dbraw/zinc/70/16/48/411701648.db2.gz DQJFWKCLPSUIFE-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC(=O)N1 ZINC000661091710 411701651 /nfs/dbraw/zinc/70/16/51/411701651.db2.gz DQJFWKCLPSUIFE-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCC(=O)N1 ZINC000661091710 411701655 /nfs/dbraw/zinc/70/16/55/411701655.db2.gz DQJFWKCLPSUIFE-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCC(=O)N1 ZINC000661091710 411701658 /nfs/dbraw/zinc/70/16/58/411701658.db2.gz DQJFWKCLPSUIFE-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H](c1nnnn1C)N(C)Cc1c[nH+]c[nH]1 ZINC000661090817 411702194 /nfs/dbraw/zinc/70/21/94/411702194.db2.gz SKXYUSQBYZZRBN-SSDOTTSWSA-N 1 2 221.268 0.126 20 0 BCADLO C[C@H](c1nnnn1C)N(C)Cc1c[nH]c[nH+]1 ZINC000661090817 411702197 /nfs/dbraw/zinc/70/21/97/411702197.db2.gz SKXYUSQBYZZRBN-SSDOTTSWSA-N 1 2 221.268 0.126 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1cnns1 ZINC000661091109 411702807 /nfs/dbraw/zinc/70/28/07/411702807.db2.gz VHJUXYZEGDBNPM-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1cnns1 ZINC000661091109 411702810 /nfs/dbraw/zinc/70/28/10/411702810.db2.gz VHJUXYZEGDBNPM-UHFFFAOYSA-N 1 2 209.278 0.893 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@H]1COCCO1 ZINC000576412995 411735126 /nfs/dbraw/zinc/73/51/26/411735126.db2.gz XZLCYWOIGCETOE-SNVBAGLBSA-N 1 2 223.276 0.921 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCCc1nncn1C ZINC000567407019 411736247 /nfs/dbraw/zinc/73/62/47/411736247.db2.gz ZQSAZGRFIKQNBT-UHFFFAOYSA-N 1 2 246.318 1.267 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)[C@H](C)CO ZINC000583214124 411736815 /nfs/dbraw/zinc/73/68/15/411736815.db2.gz KYNVLQGPTXVUJY-BDAKNGLRSA-N 1 2 209.293 1.522 20 0 BCADLO Cc1cnc(NCC[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000533884417 411738043 /nfs/dbraw/zinc/73/80/43/411738043.db2.gz FIOVZVSQPAGXDC-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnc(NCC[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000533884417 411738046 /nfs/dbraw/zinc/73/80/46/411738046.db2.gz FIOVZVSQPAGXDC-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncnc1NCC1([NH+]2CCOCC2)CC1 ZINC000641538806 411738329 /nfs/dbraw/zinc/73/83/29/411738329.db2.gz RYTFIPGYZHWVTJ-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BCADLO Cc1cnc(NCC[N@H+]2CCOC[C@@H]2C)nc1 ZINC000340048672 411738656 /nfs/dbraw/zinc/73/86/56/411738656.db2.gz VWXUNBSKQDFQSH-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnc(NCC[N@@H+]2CCOC[C@@H]2C)nc1 ZINC000340048672 411738661 /nfs/dbraw/zinc/73/86/61/411738661.db2.gz VWXUNBSKQDFQSH-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CO1 ZINC000661349928 411754151 /nfs/dbraw/zinc/75/41/51/411754151.db2.gz YCNFTCAZAOXTSC-BDAKNGLRSA-N 1 2 238.291 0.729 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CO1 ZINC000661349928 411754154 /nfs/dbraw/zinc/75/41/54/411754154.db2.gz YCNFTCAZAOXTSC-BDAKNGLRSA-N 1 2 238.291 0.729 20 0 BCADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nccn1C ZINC000123559329 170611679 /nfs/dbraw/zinc/61/16/79/170611679.db2.gz CMUCRGMLOSLOBM-VIFPVBQESA-N 1 2 245.348 0.333 20 0 BCADLO Cc1nc(NCCc2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000357155619 411756695 /nfs/dbraw/zinc/75/66/95/411756695.db2.gz XYIMRLCVHVUXRM-UHFFFAOYSA-N 1 2 232.291 1.175 20 0 BCADLO COc1ccnc(CNc2nc(C)[nH+]cc2C)n1 ZINC000565433953 411763931 /nfs/dbraw/zinc/76/39/31/411763931.db2.gz RLXVZDOSQCTWOP-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BCADLO Cc1[nH]c(CNc2ccn(CCO)n2)[nH+]c1C ZINC000567180441 411763962 /nfs/dbraw/zinc/76/39/62/411763962.db2.gz JPBMJVSVZJZYCB-UHFFFAOYSA-N 1 2 235.291 0.827 20 0 BCADLO OCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661400640 411767268 /nfs/dbraw/zinc/76/72/68/411767268.db2.gz RJPDMQFBFAZAKF-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO OCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661400640 411767269 /nfs/dbraw/zinc/76/72/69/411767269.db2.gz RJPDMQFBFAZAKF-VIFPVBQESA-N 1 2 223.263 0.851 20 0 BCADLO Cn1cc[nH+]c1CN1CC[C@@H](O)C(F)(F)C1 ZINC000661397325 411767328 /nfs/dbraw/zinc/76/73/28/411767328.db2.gz DVNZNLBJECSJAE-MRVPVSSYSA-N 1 2 231.246 0.622 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000661393855 411767854 /nfs/dbraw/zinc/76/78/54/411767854.db2.gz PRJGSZFRHASPPI-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000661393855 411767858 /nfs/dbraw/zinc/76/78/58/411767858.db2.gz PRJGSZFRHASPPI-GFCCVEGCSA-N 1 2 240.303 0.956 20 0 BCADLO CCc1cc(NCCCC(=O)N(C)C)nc[nH+]1 ZINC000390208861 411768340 /nfs/dbraw/zinc/76/83/40/411768340.db2.gz XIROTZUNSNZCDI-UHFFFAOYSA-N 1 2 236.319 1.319 20 0 BCADLO O[C@H]1CC[N@H+](C[C@H]2CCOC2)CC1(F)F ZINC000661401338 411768964 /nfs/dbraw/zinc/76/89/64/411768964.db2.gz XMPRRXBSDZHRSO-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(F)F ZINC000661401338 411768967 /nfs/dbraw/zinc/76/89/67/411768967.db2.gz XMPRRXBSDZHRSO-BDAKNGLRSA-N 1 2 221.247 0.725 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2ccco2)[nH+]1 ZINC000359250020 411769362 /nfs/dbraw/zinc/76/93/62/411769362.db2.gz KYOJBZFEGDTEJL-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BCADLO Cc1nc(NCc2ccco2)nc(N(C)C)[nH+]1 ZINC000359250020 411769367 /nfs/dbraw/zinc/76/93/67/411769367.db2.gz KYOJBZFEGDTEJL-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BCADLO COc1nc(C)cc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000354525557 411775669 /nfs/dbraw/zinc/77/56/69/411775669.db2.gz XSOKVVQMMJPWMR-SNVBAGLBSA-N 1 2 247.302 1.491 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000661440781 411777854 /nfs/dbraw/zinc/77/78/54/411777854.db2.gz FAKOCUZGZAUHON-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000661440781 411777857 /nfs/dbraw/zinc/77/78/57/411777857.db2.gz FAKOCUZGZAUHON-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO Cc1nc(N[C@@H](C)CC(N)=O)c2c([nH+]1)CCCC2 ZINC000359733580 411778698 /nfs/dbraw/zinc/77/86/98/411778698.db2.gz LJWWKPUFUALWAJ-QMMMGPOBSA-N 1 2 248.330 1.340 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CCC1 ZINC000661467868 411782217 /nfs/dbraw/zinc/78/22/17/411782217.db2.gz SXKHUUDSZSXRQI-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CCC1 ZINC000661467868 411782220 /nfs/dbraw/zinc/78/22/20/411782220.db2.gz SXKHUUDSZSXRQI-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cn1c[nH+]cc1CCN1C(=O)[C@@H]2CCCN2C1=O ZINC000663938892 411782486 /nfs/dbraw/zinc/78/24/86/411782486.db2.gz JAHJDJTUFRYTLZ-JTQLQIEISA-N 1 2 248.286 0.389 20 0 BCADLO Cc1nc(NCc2cn(C(C)C)nn2)cc[nH+]1 ZINC000564691248 411787311 /nfs/dbraw/zinc/78/73/11/411787311.db2.gz UDYFYDMTRPPWKD-UHFFFAOYSA-N 1 2 232.291 1.570 20 0 BCADLO C[C@@H]1CCC[N@H+](CCc2cnn[nH]2)[C@H]1CCO ZINC000661497765 411790050 /nfs/dbraw/zinc/79/00/50/411790050.db2.gz KEHOIEKGFPMSII-PWSUYJOCSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)[C@H]1CCO ZINC000661497765 411790055 /nfs/dbraw/zinc/79/00/55/411790055.db2.gz KEHOIEKGFPMSII-PWSUYJOCSA-N 1 2 238.335 0.830 20 0 BCADLO CC[C@@H](C(=O)NCc1[nH+]ccn1C)C(=O)OC ZINC000338836624 170665157 /nfs/dbraw/zinc/66/51/57/170665157.db2.gz BADYVMOMAWINPP-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170780 411728275 /nfs/dbraw/zinc/72/82/75/411728275.db2.gz RSLPQTOQBVDZFS-ZDUSSCGKSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170780 411728279 /nfs/dbraw/zinc/72/82/79/411728279.db2.gz RSLPQTOQBVDZFS-ZDUSSCGKSA-N 1 2 240.347 0.966 20 0 BCADLO CCN1CC[C@@H]([NH+]2C[C@@H](C)C(=O)[C@H](C)C2)C1=O ZINC000661537459 411798711 /nfs/dbraw/zinc/79/87/11/411798711.db2.gz AYNYOQIKPLTBRU-GMTAPVOTSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661553245 411801700 /nfs/dbraw/zinc/80/17/00/411801700.db2.gz WKBRQUVXJKMOFQ-BBBLOLIVSA-N 1 2 238.331 0.810 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCOC[C@H]1CO ZINC000661560284 411803210 /nfs/dbraw/zinc/80/32/10/411803210.db2.gz BCUMHUAAJFBJCG-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO Cc1ncsc1C[N@H+]1CCOC[C@H]1CO ZINC000661560284 411803217 /nfs/dbraw/zinc/80/32/17/411803217.db2.gz BCUMHUAAJFBJCG-SECBINFHSA-N 1 2 228.317 0.645 20 0 BCADLO CCC[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661577765 411807251 /nfs/dbraw/zinc/80/72/51/411807251.db2.gz FLADTSRQPIRFJC-STQMWFEESA-N 1 2 242.363 0.554 20 0 BCADLO Cc1cc(N[C@@H](CO)c2ccnn2C)nc[nH+]1 ZINC000664000685 411809129 /nfs/dbraw/zinc/80/91/29/411809129.db2.gz BFZPJWZKTMVZPD-VIFPVBQESA-N 1 2 233.275 0.664 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@H]2COCCO2)no1 ZINC000661605912 411813459 /nfs/dbraw/zinc/81/34/59/411813459.db2.gz MCMSBMKEGIQUEK-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@H]2COCCO2)no1 ZINC000661605912 411813463 /nfs/dbraw/zinc/81/34/63/411813463.db2.gz MCMSBMKEGIQUEK-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO Cc1cc(N[C@H](CO)[C@@H]2CCCOC2)nc[nH+]1 ZINC000664017142 411815521 /nfs/dbraw/zinc/81/55/21/411815521.db2.gz VDSUUCLCARPSDB-GHMZBOCLSA-N 1 2 237.303 0.984 20 0 BCADLO C[C@@H](CC(N)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000336735951 411816031 /nfs/dbraw/zinc/81/60/31/411816031.db2.gz IKUGTBRBTRNVNB-ZETCQYMHSA-N 1 2 220.276 1.030 20 0 BCADLO C[C@@H]1CN(CCc2c[nH+]cn2C)S(=O)(=O)C1 ZINC000664049159 411828611 /nfs/dbraw/zinc/82/86/11/411828611.db2.gz DAWGBEQQGDGNSV-SECBINFHSA-N 1 2 243.332 0.244 20 0 BCADLO Cn1nncc1C[N@H+](C)CC1=CCCOC1 ZINC000661652679 411829473 /nfs/dbraw/zinc/82/94/73/411829473.db2.gz NMPVPFIQYFOCRL-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO Cn1nncc1C[N@@H+](C)CC1=CCCOC1 ZINC000661652679 411829474 /nfs/dbraw/zinc/82/94/74/411829474.db2.gz NMPVPFIQYFOCRL-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO C[C@@H](O)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450210105 411831909 /nfs/dbraw/zinc/83/19/09/411831909.db2.gz DIIWZMBKHLFYLI-SECBINFHSA-N 1 2 246.314 1.489 20 0 BCADLO C[C@@H](O)CNc1cc(NCC(C)(F)F)nc[nH+]1 ZINC000581871343 411832056 /nfs/dbraw/zinc/83/20/56/411832056.db2.gz DCORGWJZSKTFPC-SSDOTTSWSA-N 1 2 246.261 1.336 20 0 BCADLO C[C@@H](O)CNc1cc(NCC(C)(F)F)[nH+]cn1 ZINC000581871343 411832058 /nfs/dbraw/zinc/83/20/58/411832058.db2.gz DCORGWJZSKTFPC-SSDOTTSWSA-N 1 2 246.261 1.336 20 0 BCADLO Cn1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492860978 411840631 /nfs/dbraw/zinc/84/06/31/411840631.db2.gz IXOIOQNCOPWPDT-NSCUHMNNSA-N 1 2 217.232 0.795 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661694592 411843141 /nfs/dbraw/zinc/84/31/41/411843141.db2.gz ZIXPJFNGFHAQJA-SECBINFHSA-N 1 2 227.287 0.782 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000661694592 411843142 /nfs/dbraw/zinc/84/31/42/411843142.db2.gz ZIXPJFNGFHAQJA-SECBINFHSA-N 1 2 227.287 0.782 20 0 BCADLO Cn1ccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000366749164 411844752 /nfs/dbraw/zinc/84/47/52/411844752.db2.gz NKSBHRMABWUTLX-MRVPVSSYSA-N 1 2 245.286 1.202 20 0 BCADLO CC(=O)C1(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000579596201 411854438 /nfs/dbraw/zinc/85/44/38/411854438.db2.gz TYHZZAZCVABUHH-UHFFFAOYSA-N 1 2 248.286 0.353 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C)c1nccc(N)n1 ZINC000574287215 411857693 /nfs/dbraw/zinc/85/76/93/411857693.db2.gz CNMVNFFJVYQSLT-MRVPVSSYSA-N 1 2 237.307 0.188 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C)c1nccc(N)n1 ZINC000574287215 411857695 /nfs/dbraw/zinc/85/76/95/411857695.db2.gz CNMVNFFJVYQSLT-MRVPVSSYSA-N 1 2 237.307 0.188 20 0 BCADLO CCN(C[C@H]1CCOC1)c1nc(C)[nH+]c(N)n1 ZINC000631175010 411857722 /nfs/dbraw/zinc/85/77/22/411857722.db2.gz QYVPXTMQHXJWME-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO CCN(C[C@H]1CCOC1)c1nc(N)nc(C)[nH+]1 ZINC000631175010 411857725 /nfs/dbraw/zinc/85/77/25/411857725.db2.gz QYVPXTMQHXJWME-SECBINFHSA-N 1 2 237.307 0.625 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661720663 411857802 /nfs/dbraw/zinc/85/78/02/411857802.db2.gz FFHAVLSWZPHUJB-CMPLNLGQSA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661720663 411857805 /nfs/dbraw/zinc/85/78/05/411857805.db2.gz FFHAVLSWZPHUJB-CMPLNLGQSA-N 1 2 236.319 0.816 20 0 BCADLO COC(C)(C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000404296585 411860561 /nfs/dbraw/zinc/86/05/61/411860561.db2.gz FEWVKLNGLVGMLY-UHFFFAOYSA-N 1 2 225.296 0.623 20 0 BCADLO COC(C)(C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000404296585 411860565 /nfs/dbraw/zinc/86/05/65/411860565.db2.gz FEWVKLNGLVGMLY-UHFFFAOYSA-N 1 2 225.296 0.623 20 0 BCADLO Cn1cc(C[N@H+](C)CCn2ccccc2=O)nn1 ZINC000661744027 411861807 /nfs/dbraw/zinc/86/18/07/411861807.db2.gz ARZYTOPAVFEORB-UHFFFAOYSA-N 1 2 247.302 0.109 20 0 BCADLO Cn1cc(C[N@@H+](C)CCn2ccccc2=O)nn1 ZINC000661744027 411861808 /nfs/dbraw/zinc/86/18/08/411861808.db2.gz ARZYTOPAVFEORB-UHFFFAOYSA-N 1 2 247.302 0.109 20 0 BCADLO Cn1cc(C[N@H+](C)[C@H]2COC(C)(C)C2)nn1 ZINC000661743414 411861999 /nfs/dbraw/zinc/86/19/99/411861999.db2.gz HLNUGHCGSDNOLQ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO Cn1cc(C[N@@H+](C)[C@H]2COC(C)(C)C2)nn1 ZINC000661743414 411862001 /nfs/dbraw/zinc/86/20/01/411862001.db2.gz HLNUGHCGSDNOLQ-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO Cn1cc(C[N@H+](C)CCO[C@@H]2CC2(F)F)nn1 ZINC000661744114 411863096 /nfs/dbraw/zinc/86/30/96/411863096.db2.gz PLBCEIVUIKTZOL-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO Cn1cc(C[N@@H+](C)CCO[C@@H]2CC2(F)F)nn1 ZINC000661744114 411863103 /nfs/dbraw/zinc/86/31/03/411863103.db2.gz PLBCEIVUIKTZOL-SECBINFHSA-N 1 2 246.261 0.671 20 0 BCADLO C[C@H](CCO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000664186854 411885346 /nfs/dbraw/zinc/88/53/46/411885346.db2.gz XOQYUGWCJYSAHJ-RKDXNWHRSA-N 1 2 240.307 0.551 20 0 BCADLO CC[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379912306 411885808 /nfs/dbraw/zinc/88/58/08/411885808.db2.gz NNVKAKRVPYUBHA-NKWVEPMBSA-N 1 2 209.297 1.031 20 0 BCADLO CC[C@H](C)[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379912306 411885811 /nfs/dbraw/zinc/88/58/11/411885811.db2.gz NNVKAKRVPYUBHA-NKWVEPMBSA-N 1 2 209.297 1.031 20 0 BCADLO CN1CC[N@H+](Cc2ccno2)CCC1=O ZINC000661809936 411888585 /nfs/dbraw/zinc/88/85/85/411888585.db2.gz YLFAWAYAXISMBI-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO CN1CC[N@@H+](Cc2ccno2)CCC1=O ZINC000661809936 411888588 /nfs/dbraw/zinc/88/85/88/411888588.db2.gz YLFAWAYAXISMBI-UHFFFAOYSA-N 1 2 209.249 0.339 20 0 BCADLO COc1c(C)[nH+]cnc1NC/C=C\CO ZINC000664235257 411890375 /nfs/dbraw/zinc/89/03/75/411890375.db2.gz DGBFBPMNWORSBO-ARJAWSKDSA-N 1 2 209.249 0.754 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2ccc(N)nc2)[nH+]1 ZINC000637829859 411897407 /nfs/dbraw/zinc/89/74/07/411897407.db2.gz QHJYLCUWZCIIRR-UHFFFAOYSA-N 1 2 245.286 1.131 20 0 BCADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C1=O ZINC000661852859 411903461 /nfs/dbraw/zinc/90/34/61/411903461.db2.gz JOXNCPZOBPGLLQ-VWYCJHECSA-N 1 2 242.319 0.648 20 0 BCADLO CCN1OC[C@H]([N@H+]2CC[C@@H](C)O[C@@H](C)C2)C1=O ZINC000661852859 411903464 /nfs/dbraw/zinc/90/34/64/411903464.db2.gz JOXNCPZOBPGLLQ-VWYCJHECSA-N 1 2 242.319 0.648 20 0 BCADLO CCCCOCCCNc1nc(C)[nH+]c(N)n1 ZINC000383381161 411907706 /nfs/dbraw/zinc/90/77/06/411907706.db2.gz FPCARNDBBFKBDR-UHFFFAOYSA-N 1 2 239.323 0.803 20 0 BCADLO CCCCOCCCNc1nc(N)nc(C)[nH+]1 ZINC000383381161 411907710 /nfs/dbraw/zinc/90/77/10/411907710.db2.gz FPCARNDBBFKBDR-UHFFFAOYSA-N 1 2 239.323 0.803 20 0 BCADLO COCc1nnc(CNc2cc[nH+]cc2C)[nH]1 ZINC000664275062 411909442 /nfs/dbraw/zinc/90/94/42/411909442.db2.gz PYBAQLSRRACDPZ-UHFFFAOYSA-N 1 2 233.275 0.689 20 0 BCADLO Cc1nc(NC[C@@H](C)c2ccncc2)nc(N)[nH+]1 ZINC000631152220 411942788 /nfs/dbraw/zinc/94/27/88/411942788.db2.gz SNAWRUUGZFWRIN-MRVPVSSYSA-N 1 2 244.302 0.795 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)c2ccncc2)[nH+]1 ZINC000631152220 411942792 /nfs/dbraw/zinc/94/27/92/411942792.db2.gz SNAWRUUGZFWRIN-MRVPVSSYSA-N 1 2 244.302 0.795 20 0 BCADLO Cc1nc(NCCC2(C)CC2)nc(N)[nH+]1 ZINC000631253553 411942806 /nfs/dbraw/zinc/94/28/06/411942806.db2.gz HMGUHDMYTMRCSB-UHFFFAOYSA-N 1 2 207.281 0.786 20 0 BCADLO Cc1nc(N)nc(NCCC2(C)CC2)[nH+]1 ZINC000631253553 411942810 /nfs/dbraw/zinc/94/28/10/411942810.db2.gz HMGUHDMYTMRCSB-UHFFFAOYSA-N 1 2 207.281 0.786 20 0 BCADLO Cc1nc(NC[C@@H]2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC000631277255 411942870 /nfs/dbraw/zinc/94/28/70/411942870.db2.gz XSEZDVXTMDXZLN-CBAPKCEASA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCOC[C@@H]2C)[nH+]1 ZINC000631277255 411942876 /nfs/dbraw/zinc/94/28/76/411942876.db2.gz XSEZDVXTMDXZLN-CBAPKCEASA-N 1 2 237.307 0.269 20 0 BCADLO Cc1nn(C)cc1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000637829109 411917613 /nfs/dbraw/zinc/91/76/13/411917613.db2.gz IGRJRAVLNYRMTI-UHFFFAOYSA-N 1 2 245.286 0.887 20 0 BCADLO Cc1nn(C)c(C)c1Nc1nc(C)[nH+]c(N)n1 ZINC000631038551 411918439 /nfs/dbraw/zinc/91/84/39/411918439.db2.gz BQEGRNVRTFRTOM-UHFFFAOYSA-N 1 2 233.279 0.856 20 0 BCADLO Cc1cccc(CNc2nc(C)[nH+]c(N)n2)n1 ZINC000383321246 411921800 /nfs/dbraw/zinc/92/18/00/411921800.db2.gz AZVFLNPYAIWXPT-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO Cc1cccc(CNc2nc(N)nc(C)[nH+]2)n1 ZINC000383321246 411921804 /nfs/dbraw/zinc/92/18/04/411921804.db2.gz AZVFLNPYAIWXPT-UHFFFAOYSA-N 1 2 230.275 0.500 20 0 BCADLO C[C@H](NC(=O)c1ccc(N)nc1)c1[nH+]ccn1C ZINC000638430459 411922422 /nfs/dbraw/zinc/92/24/22/411922422.db2.gz QNMMULZCZHUBFF-QMMMGPOBSA-N 1 2 245.286 0.888 20 0 BCADLO C[C@H](O)CN(Cc1cc[nH+]c(N)c1)CC(F)F ZINC000411797098 411922623 /nfs/dbraw/zinc/92/26/23/411922623.db2.gz SZZRZCXSMSVRDF-QMMMGPOBSA-N 1 2 245.273 1.112 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1cc[nH+]c(N)c1 ZINC000646126173 411924495 /nfs/dbraw/zinc/92/44/95/411924495.db2.gz FJPZSCQHOZVWLL-QMMMGPOBSA-N 1 2 220.276 0.284 20 0 BCADLO Cc1cc(N(C)C[C@@H]2COCCO2)nc[nH+]1 ZINC000664336423 411924868 /nfs/dbraw/zinc/92/48/68/411924868.db2.gz BIMDXCIGSVUWJK-SNVBAGLBSA-N 1 2 223.276 0.637 20 0 BCADLO CN(C[C@H]1COCCO1)c1cccc[nH+]1 ZINC000664342033 411926039 /nfs/dbraw/zinc/92/60/39/411926039.db2.gz RLHKXUMGQYGXST-JTQLQIEISA-N 1 2 208.261 0.933 20 0 BCADLO Cc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)nc[nH+]1 ZINC000664340449 411926076 /nfs/dbraw/zinc/92/60/76/411926076.db2.gz ZIJPUXCNIICYAZ-QWRGUYRKSA-N 1 2 246.314 0.890 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(N)nc1 ZINC000647537722 411926624 /nfs/dbraw/zinc/92/66/24/411926624.db2.gz CYMCIGNMXKBCJL-VIFPVBQESA-N 1 2 234.303 0.374 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N)nc1 ZINC000647537722 411926629 /nfs/dbraw/zinc/92/66/29/411926629.db2.gz CYMCIGNMXKBCJL-VIFPVBQESA-N 1 2 234.303 0.374 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@H+](C)CCn1cccn1 ZINC000568169582 411926645 /nfs/dbraw/zinc/92/66/45/411926645.db2.gz NZEREBMWRYLQCN-SNVBAGLBSA-N 1 2 246.318 0.948 20 0 BCADLO C[C@H](c1nccc(N)n1)[N@@H+](C)CCn1cccn1 ZINC000568169582 411926648 /nfs/dbraw/zinc/92/66/48/411926648.db2.gz NZEREBMWRYLQCN-SNVBAGLBSA-N 1 2 246.318 0.948 20 0 BCADLO Nc1nc(N[C@H]2C[C@@H](CO)C2)[nH+]c2ccccc12 ZINC000631428343 411929852 /nfs/dbraw/zinc/92/98/52/411929852.db2.gz WKGLZCKOQWNUDD-KYZUINATSA-N 1 2 244.298 0.817 20 0 BCADLO Nc1nc(NC[C@@H](O)C2CC2)[nH+]c2ccccc12 ZINC000536537539 411930643 /nfs/dbraw/zinc/93/06/43/411930643.db2.gz KXWAUARUHPOEFB-LLVKDONJSA-N 1 2 244.298 0.817 20 0 BCADLO Cc1cn2c(n1)CN(c1nc(C)[nH+]c(N)n1)CC2 ZINC000631203944 411935029 /nfs/dbraw/zinc/93/50/29/411935029.db2.gz VYKUCSFVBLSGAR-UHFFFAOYSA-N 1 2 245.290 0.287 20 0 BCADLO Cc1nc(N(C)CC2(O)CCC2)nc(N)[nH+]1 ZINC000631207074 411937306 /nfs/dbraw/zinc/93/73/06/411937306.db2.gz SDIQIEROOFULRL-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO Cc1nc(N)nc(N(C)CC2(O)CCC2)[nH+]1 ZINC000631207074 411937310 /nfs/dbraw/zinc/93/73/10/411937310.db2.gz SDIQIEROOFULRL-UHFFFAOYSA-N 1 2 223.280 0.113 20 0 BCADLO Nc1ncc2c(n1)C[N@@H+](Cc1ccno1)CC2 ZINC000623292917 411937320 /nfs/dbraw/zinc/93/73/20/411937320.db2.gz FQARQHAKLVKCNA-UHFFFAOYSA-N 1 2 231.259 0.605 20 0 BCADLO Nc1ncc2c(n1)C[N@H+](Cc1ccno1)CC2 ZINC000623292917 411937323 /nfs/dbraw/zinc/93/73/23/411937323.db2.gz FQARQHAKLVKCNA-UHFFFAOYSA-N 1 2 231.259 0.605 20 0 BCADLO Nc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000375731938 411939680 /nfs/dbraw/zinc/93/96/80/411939680.db2.gz PKKDNFNICNGNOZ-SNVBAGLBSA-N 1 2 248.286 0.300 20 0 BCADLO Nc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000375731938 411939685 /nfs/dbraw/zinc/93/96/85/411939685.db2.gz PKKDNFNICNGNOZ-SNVBAGLBSA-N 1 2 248.286 0.300 20 0 BCADLO COC[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516912 411868604 /nfs/dbraw/zinc/86/86/04/411868604.db2.gz WIFQOZZUIYTLBK-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516912 411868611 /nfs/dbraw/zinc/86/86/11/411868611.db2.gz WIFQOZZUIYTLBK-LLVKDONJSA-N 1 2 237.303 0.511 20 0 BCADLO CCO[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000582563010 411868962 /nfs/dbraw/zinc/86/89/62/411868962.db2.gz SECSWBHNTQXGDS-SSDOTTSWSA-N 1 2 238.291 0.408 20 0 BCADLO CCOCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000552018746 411869513 /nfs/dbraw/zinc/86/95/13/411869513.db2.gz ZTDBEZKTPXWOJY-UHFFFAOYSA-N 1 2 238.291 0.410 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000631117315 411874007 /nfs/dbraw/zinc/87/40/07/411874007.db2.gz LILDQIJCZGGMBA-WRWORJQWSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000631117315 411874010 /nfs/dbraw/zinc/87/40/10/411874010.db2.gz LILDQIJCZGGMBA-WRWORJQWSA-N 1 2 239.323 0.393 20 0 BCADLO CC[C@@H](C)C[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631318899 411874017 /nfs/dbraw/zinc/87/40/17/411874017.db2.gz BZOWAPSJLXLOSG-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@@H](C)C[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631318899 411874020 /nfs/dbraw/zinc/87/40/20/411874020.db2.gz BZOWAPSJLXLOSG-VXNVDRBHSA-N 1 2 239.323 0.971 20 0 BCADLO Cc1nc(N2CC[C@@H](Cn3ccnn3)C2)cc[nH+]1 ZINC000664169105 411877371 /nfs/dbraw/zinc/87/73/71/411877371.db2.gz QMUOOGRRIFRDMJ-LLVKDONJSA-N 1 2 244.302 0.903 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)C1CCC1 ZINC000664174841 411881043 /nfs/dbraw/zinc/88/10/43/411881043.db2.gz WPBZZGZSLPJPEH-SNVBAGLBSA-N 1 2 247.302 0.936 20 0 BCADLO Cn1nccc1C[N@H+](C)Cc1ccnc(N)c1 ZINC000348406105 411882081 /nfs/dbraw/zinc/88/20/81/411882081.db2.gz OTAUSHCUUIGRTD-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BCADLO Cn1nccc1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000348406105 411882084 /nfs/dbraw/zinc/88/20/84/411882084.db2.gz OTAUSHCUUIGRTD-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BCADLO Cc1nc(N2CCO[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631212216 411964532 /nfs/dbraw/zinc/96/45/32/411964532.db2.gz DAIPNVSLNYDZTO-VIFPVBQESA-N 1 2 235.291 0.377 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000631212216 411964535 /nfs/dbraw/zinc/96/45/35/411964535.db2.gz DAIPNVSLNYDZTO-VIFPVBQESA-N 1 2 235.291 0.377 20 0 BCADLO Cc1cc(N2CCC(=O)N(C)CC2)nc[nH+]1 ZINC000664462170 411964579 /nfs/dbraw/zinc/96/45/79/411964579.db2.gz LSGJAEHLSLJOCJ-UHFFFAOYSA-N 1 2 220.276 0.454 20 0 BCADLO Cc1nc(N2CC[C@H](C(F)F)C2)nc(N)[nH+]1 ZINC000631263070 411964667 /nfs/dbraw/zinc/96/46/67/411964667.db2.gz WSDKHHWVCKTIPT-LURJTMIESA-N 1 2 229.234 0.854 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](C(F)F)C2)[nH+]1 ZINC000631263070 411964671 /nfs/dbraw/zinc/96/46/71/411964671.db2.gz WSDKHHWVCKTIPT-LURJTMIESA-N 1 2 229.234 0.854 20 0 BCADLO Cc1nc(N[C@@H]2CSC[C@@H]2C)nc(N)[nH+]1 ZINC000397908835 411969244 /nfs/dbraw/zinc/96/92/44/411969244.db2.gz XHULQHGYOFJFNH-CAHLUQPWSA-N 1 2 225.321 0.926 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CSC[C@@H]2C)[nH+]1 ZINC000397908835 411969248 /nfs/dbraw/zinc/96/92/48/411969248.db2.gz XHULQHGYOFJFNH-CAHLUQPWSA-N 1 2 225.321 0.926 20 0 BCADLO Cc1nc(N[C@H](CO)CC2CCC2)nc(N)[nH+]1 ZINC000631257215 411969476 /nfs/dbraw/zinc/96/94/76/411969476.db2.gz WYPRMSJLXPXHDB-VIFPVBQESA-N 1 2 237.307 0.725 20 0 BCADLO Cc1nc(N)nc(N[C@H](CO)CC2CCC2)[nH+]1 ZINC000631257215 411969483 /nfs/dbraw/zinc/96/94/83/411969483.db2.gz WYPRMSJLXPXHDB-VIFPVBQESA-N 1 2 237.307 0.725 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662073134 411973427 /nfs/dbraw/zinc/97/34/27/411973427.db2.gz TUDRHKRFNVPCKQ-UHFFFAOYSA-N 1 2 222.292 0.520 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC2(COC2)C1 ZINC000662073134 411973432 /nfs/dbraw/zinc/97/34/32/411973432.db2.gz TUDRHKRFNVPCKQ-UHFFFAOYSA-N 1 2 222.292 0.520 20 0 BCADLO OCC1(CO)CCN(c2cccc[nH+]2)C1 ZINC000664517134 411973942 /nfs/dbraw/zinc/97/39/42/411973942.db2.gz QFFDKZDROUVDRW-UHFFFAOYSA-N 1 2 208.261 0.263 20 0 BCADLO NC(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000571327310 411974954 /nfs/dbraw/zinc/97/49/54/411974954.db2.gz ULZDFNLGZVKGTH-UHFFFAOYSA-N 1 2 234.259 0.258 20 0 BCADLO Cc1ccc(CCNc2nc(C)[nH+]c(N)n2)o1 ZINC000631058810 411975042 /nfs/dbraw/zinc/97/50/42/411975042.db2.gz VTIGXGOKHKXWHX-UHFFFAOYSA-N 1 2 233.275 0.740 20 0 BCADLO Cc1ccc(CCNc2nc(N)nc(C)[nH+]2)o1 ZINC000631058810 411975047 /nfs/dbraw/zinc/97/50/47/411975047.db2.gz VTIGXGOKHKXWHX-UHFFFAOYSA-N 1 2 233.275 0.740 20 0 BCADLO Cc1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(N)n1 ZINC000616921509 411981310 /nfs/dbraw/zinc/98/13/10/411981310.db2.gz SNSNKQIOPURETQ-UHFFFAOYSA-N 1 2 246.274 0.363 20 0 BCADLO Cc1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(N)n1 ZINC000616921509 411981312 /nfs/dbraw/zinc/98/13/12/411981312.db2.gz SNSNKQIOPURETQ-UHFFFAOYSA-N 1 2 246.274 0.363 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(C)c1 ZINC000664576784 411990895 /nfs/dbraw/zinc/99/08/95/411990895.db2.gz CIINBAPVGLETFA-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(C)c1 ZINC000664576784 411990898 /nfs/dbraw/zinc/99/08/98/411990898.db2.gz CIINBAPVGLETFA-UHFFFAOYSA-N 1 2 234.263 0.807 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCc2nccnc2C1 ZINC000662124142 411993117 /nfs/dbraw/zinc/99/31/17/411993117.db2.gz GAFAZZRQNOMGRM-SNVBAGLBSA-N 1 2 220.276 0.099 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCc2nccnc2C1 ZINC000662124142 411993120 /nfs/dbraw/zinc/99/31/20/411993120.db2.gz GAFAZZRQNOMGRM-SNVBAGLBSA-N 1 2 220.276 0.099 20 0 BCADLO CO[C@@]1(C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000664604886 411996973 /nfs/dbraw/zinc/99/69/73/411996973.db2.gz WZFDQBFRGIYPOY-KCJUWKMLSA-N 1 2 233.275 0.953 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)[nH]1 ZINC000662141803 412003479 /nfs/dbraw/zinc/00/34/79/412003479.db2.gz HAQKLMYVOHROAF-CABZTGNLSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)[nH]1 ZINC000662141803 412003482 /nfs/dbraw/zinc/00/34/82/412003482.db2.gz HAQKLMYVOHROAF-CABZTGNLSA-N 1 2 238.335 0.817 20 0 BCADLO C[C@H]1C[N@H+](Cc2csnn2)C[C@]1(C)CO ZINC000662142521 412004493 /nfs/dbraw/zinc/00/44/93/412004493.db2.gz KBZBFQBDEGHEOZ-WCBMZHEXSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[N@@H+](Cc2csnn2)C[C@]1(C)CO ZINC000662142521 412004495 /nfs/dbraw/zinc/00/44/95/412004495.db2.gz KBZBFQBDEGHEOZ-WCBMZHEXSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)C[C@@]1(C)CO ZINC000662145050 412007290 /nfs/dbraw/zinc/00/72/90/412007290.db2.gz WALYYNKXXKKHRE-ONGXEEELSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)C[C@@]1(C)CO ZINC000662145050 412007292 /nfs/dbraw/zinc/00/72/92/412007292.db2.gz WALYYNKXXKKHRE-ONGXEEELSA-N 1 2 224.308 0.298 20 0 BCADLO Cc1nc(NCCc2ccccc2F)nc(N)[nH+]1 ZINC000380701970 411944453 /nfs/dbraw/zinc/94/44/53/411944453.db2.gz XLFLUOJSYIGMPL-UHFFFAOYSA-N 1 2 247.277 0.978 20 0 BCADLO Cc1nc(N)nc(NCCc2ccccc2F)[nH+]1 ZINC000380701970 411944458 /nfs/dbraw/zinc/94/44/58/411944458.db2.gz XLFLUOJSYIGMPL-UHFFFAOYSA-N 1 2 247.277 0.978 20 0 BCADLO Cc1nc(NCCCC(C)C)nc(N)[nH+]1 ZINC000379812446 411945465 /nfs/dbraw/zinc/94/54/65/411945465.db2.gz OYPUKBRRHNTPNO-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO Cc1nc(N)nc(NCCCC(C)C)[nH+]1 ZINC000379812446 411945468 /nfs/dbraw/zinc/94/54/68/411945468.db2.gz OYPUKBRRHNTPNO-UHFFFAOYSA-N 1 2 209.297 1.032 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033754 411951100 /nfs/dbraw/zinc/95/11/00/411951100.db2.gz LBKFXVHRKGCACM-UWVGGRQHSA-N 1 2 222.292 0.316 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033754 411951101 /nfs/dbraw/zinc/95/11/01/411951101.db2.gz LBKFXVHRKGCACM-UWVGGRQHSA-N 1 2 222.292 0.316 20 0 BCADLO Nc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000647539097 411955204 /nfs/dbraw/zinc/95/52/04/411955204.db2.gz WNVPESOYUZOTEO-LLVKDONJSA-N 1 2 225.267 0.570 20 0 BCADLO Nc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000647539097 411955208 /nfs/dbraw/zinc/95/52/08/411955208.db2.gz WNVPESOYUZOTEO-LLVKDONJSA-N 1 2 225.267 0.570 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000264317214 170943135 /nfs/dbraw/zinc/94/31/35/170943135.db2.gz PHWIBXHJHXNXMO-MRVPVSSYSA-N 1 2 211.265 0.461 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC12CC2 ZINC000569868637 411958511 /nfs/dbraw/zinc/95/85/11/411958511.db2.gz YFVSNTIKFYMNEB-ZETCQYMHSA-N 1 2 244.302 1.158 20 0 BCADLO Cc1nc(N2CCC[C@H]2[C@H]2CCCO2)nc(N)[nH+]1 ZINC000631266462 411960368 /nfs/dbraw/zinc/96/03/68/411960368.db2.gz JRKZQCAPOZZDLX-VHSXEESVSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CCC[C@H]2[C@H]2CCCO2)[nH+]1 ZINC000631266462 411960370 /nfs/dbraw/zinc/96/03/70/411960370.db2.gz JRKZQCAPOZZDLX-VHSXEESVSA-N 1 2 249.318 0.910 20 0 BCADLO Nc1ncc(C[N@@H+]2CCO[C@H](CF)C2)s1 ZINC000647551706 411961963 /nfs/dbraw/zinc/96/19/63/411961963.db2.gz DSOIZQPWKZGABC-SSDOTTSWSA-N 1 2 231.296 0.896 20 0 BCADLO Nc1ncc(C[N@H+]2CCO[C@H](CF)C2)s1 ZINC000647551706 411961967 /nfs/dbraw/zinc/96/19/67/411961967.db2.gz DSOIZQPWKZGABC-SSDOTTSWSA-N 1 2 231.296 0.896 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000380688798 411962434 /nfs/dbraw/zinc/96/24/34/411962434.db2.gz AMOLIVRCJGZIJW-RQJHMYQMSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000380688798 411962438 /nfs/dbraw/zinc/96/24/38/411962438.db2.gz AMOLIVRCJGZIJW-RQJHMYQMSA-N 1 2 207.281 0.997 20 0 BCADLO Cc1nc(N2CC[C@@]3(CCOC3)C2)nc(N)[nH+]1 ZINC000631162199 411962485 /nfs/dbraw/zinc/96/24/85/411962485.db2.gz YZQGDSRFZBGLNO-LLVKDONJSA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@]3(CCOC3)C2)[nH+]1 ZINC000631162199 411962492 /nfs/dbraw/zinc/96/24/92/411962492.db2.gz YZQGDSRFZBGLNO-LLVKDONJSA-N 1 2 235.291 0.379 20 0 BCADLO Cc1nc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc(N)[nH+]1 ZINC000631177200 411963579 /nfs/dbraw/zinc/96/35/79/411963579.db2.gz IENGJULIWUXKIZ-NXEZZACHSA-N 1 2 249.318 0.625 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)[nH+]1 ZINC000631177200 411963584 /nfs/dbraw/zinc/96/35/84/411963584.db2.gz IENGJULIWUXKIZ-NXEZZACHSA-N 1 2 249.318 0.625 20 0 BCADLO CC1(C)C[N@H+](CC(N)=O)[C@H]1c1cccnc1 ZINC000664828751 412028471 /nfs/dbraw/zinc/02/84/71/412028471.db2.gz JZADHVGKLARUMF-NSHDSACASA-N 1 2 219.288 0.950 20 0 BCADLO CC1(C)C[N@@H+](CC(N)=O)[C@H]1c1cccnc1 ZINC000664828751 412028472 /nfs/dbraw/zinc/02/84/72/412028472.db2.gz JZADHVGKLARUMF-NSHDSACASA-N 1 2 219.288 0.950 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662259763 412054338 /nfs/dbraw/zinc/05/43/38/412054338.db2.gz AUQFUDRAUPWULR-SECBINFHSA-N 1 2 245.348 0.676 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662259763 412054342 /nfs/dbraw/zinc/05/43/42/412054342.db2.gz AUQFUDRAUPWULR-SECBINFHSA-N 1 2 245.348 0.676 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CC1=CCSC1 ZINC000662265349 412057410 /nfs/dbraw/zinc/05/74/10/412057410.db2.gz XHGAHEXPMYQXGK-MRVPVSSYSA-N 1 2 239.348 0.876 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CC1=CCSC1 ZINC000662265349 412057411 /nfs/dbraw/zinc/05/74/11/412057411.db2.gz XHGAHEXPMYQXGK-MRVPVSSYSA-N 1 2 239.348 0.876 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000279268531 171063229 /nfs/dbraw/zinc/06/32/29/171063229.db2.gz VYTMRPKEPWMCPQ-SNVBAGLBSA-N 1 2 237.303 0.980 20 0 BCADLO CC[C@@H]1C[N@H+](CCC(=O)OC)C[C@H](C)[S@@]1=O ZINC000352895603 171078825 /nfs/dbraw/zinc/07/88/25/171078825.db2.gz DOBZNEVDBBDTRO-IEVXNVSRSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@@H+](CCC(=O)OC)C[C@H](C)[S@@]1=O ZINC000352895603 171078827 /nfs/dbraw/zinc/07/88/27/171078827.db2.gz DOBZNEVDBBDTRO-IEVXNVSRSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@H+](CCC(=O)OC)C[C@H](C)[S@]1=O ZINC000352895600 171079012 /nfs/dbraw/zinc/07/90/12/171079012.db2.gz DOBZNEVDBBDTRO-YNHOBRIKSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@@H+](CCC(=O)OC)C[C@H](C)[S@]1=O ZINC000352895600 171079014 /nfs/dbraw/zinc/07/90/14/171079014.db2.gz DOBZNEVDBBDTRO-YNHOBRIKSA-N 1 2 247.360 0.781 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000352723135 171091327 /nfs/dbraw/zinc/09/13/27/171091327.db2.gz COUJBLRSNMLGAP-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000352723135 171091329 /nfs/dbraw/zinc/09/13/29/171091329.db2.gz COUJBLRSNMLGAP-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2noc(C)n2)C[C@@H]1O ZINC000341041161 171094177 /nfs/dbraw/zinc/09/41/77/171094177.db2.gz GCNKOMUKPOULQE-BDAKNGLRSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2noc(C)n2)C[C@@H]1O ZINC000341041161 171094179 /nfs/dbraw/zinc/09/41/79/171094179.db2.gz GCNKOMUKPOULQE-BDAKNGLRSA-N 1 2 211.265 0.581 20 0 BCADLO CC[C@@](C)([NH2+]Cc1ncccn1)C(N)=O ZINC000336688260 171175561 /nfs/dbraw/zinc/17/55/61/171175561.db2.gz LKQNLGKAJNMSBW-SNVBAGLBSA-N 1 2 208.265 0.220 20 0 BCADLO CC[C@@](C)([NH2+]CCOCCOC)C(=O)OC ZINC000336746098 171176202 /nfs/dbraw/zinc/17/62/02/171176202.db2.gz WESSOSJDIVRBHI-LLVKDONJSA-N 1 2 233.308 0.581 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000308920791 171176313 /nfs/dbraw/zinc/17/63/13/171176313.db2.gz ITNOPGQEHMHAFI-GXSJLCMTSA-N 1 2 217.309 0.935 20 0 BCADLO CC[C@@]1(C)NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000298496278 171209893 /nfs/dbraw/zinc/20/98/93/171209893.db2.gz GNHKUDKLDHIBHJ-LLVKDONJSA-N 1 2 236.275 0.604 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2noc(C)n2)C1 ZINC000332740646 171214112 /nfs/dbraw/zinc/21/41/12/171214112.db2.gz YZMDJLHNHALJLW-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332740646 171214115 /nfs/dbraw/zinc/21/41/15/171214115.db2.gz YZMDJLHNHALJLW-SNVBAGLBSA-N 1 2 211.265 0.725 20 0 BCADLO CC[C@H](C(=O)Nc1cc[nH+]cc1C)C(=O)OC ZINC000338818017 171225275 /nfs/dbraw/zinc/22/52/75/171225275.db2.gz XHOBGFDXCVAVGL-SECBINFHSA-N 1 2 236.271 0.950 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)CCNC(=O)N(C)C ZINC000348925382 171240804 /nfs/dbraw/zinc/24/08/04/171240804.db2.gz CRHGSLLDJHUHKW-SECBINFHSA-N 1 2 245.323 0.141 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)CCNC(=O)N(C)C ZINC000348925382 171240806 /nfs/dbraw/zinc/24/08/06/171240806.db2.gz CRHGSLLDJHUHKW-SECBINFHSA-N 1 2 245.323 0.141 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338630399 171242057 /nfs/dbraw/zinc/24/20/57/171242057.db2.gz JCLZQPNLGXLKTA-PSASIEDQSA-N 1 2 219.256 0.344 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338630399 171242060 /nfs/dbraw/zinc/24/20/60/171242060.db2.gz JCLZQPNLGXLKTA-PSASIEDQSA-N 1 2 219.256 0.344 20 0 BCADLO Cc1nccnc1C(=O)N1CC[NH+](C)CC1 ZINC000665058832 412074231 /nfs/dbraw/zinc/07/42/31/412074231.db2.gz CYLNOLSGXCHUJO-UHFFFAOYSA-N 1 2 220.276 0.173 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355075059 171250564 /nfs/dbraw/zinc/25/05/64/171250564.db2.gz TXXPBXZHVRUOQV-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355075059 171250566 /nfs/dbraw/zinc/25/05/66/171250566.db2.gz TXXPBXZHVRUOQV-QWRGUYRKSA-N 1 2 228.336 0.869 20 0 BCADLO CC[C@H](C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000339326567 171252014 /nfs/dbraw/zinc/25/20/14/171252014.db2.gz JEUUOPRMCXYOLE-RYUDHWBXSA-N 1 2 241.379 0.785 20 0 BCADLO C[NH+]1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000665059343 412075034 /nfs/dbraw/zinc/07/50/34/412075034.db2.gz YFQQDKHTQBPESU-UHFFFAOYSA-N 1 2 249.314 0.941 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000340121845 171303502 /nfs/dbraw/zinc/30/35/02/171303502.db2.gz RIBGXOQCWNULBY-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H](C)[N@H+](CCO)Cc1noc(C)n1 ZINC000336670627 171315094 /nfs/dbraw/zinc/31/50/94/171315094.db2.gz FVJSOCITIVGXPZ-QMMMGPOBSA-N 1 2 213.281 0.971 20 0 BCADLO CC[C@H](C)[N@@H+](CCO)Cc1noc(C)n1 ZINC000336670627 171315095 /nfs/dbraw/zinc/31/50/95/171315095.db2.gz FVJSOCITIVGXPZ-QMMMGPOBSA-N 1 2 213.281 0.971 20 0 BCADLO CC[C@H](C)NC(=O)CC[NH2+]Cc1csnn1 ZINC000038014074 171322529 /nfs/dbraw/zinc/32/25/29/171322529.db2.gz OLFMLWRVLJUXQR-QMMMGPOBSA-N 1 2 242.348 0.933 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000363489704 171324413 /nfs/dbraw/zinc/32/44/13/171324413.db2.gz MLXUDKOUXHCYDQ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000363489704 171324414 /nfs/dbraw/zinc/32/44/14/171324414.db2.gz MLXUDKOUXHCYDQ-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590678 171324547 /nfs/dbraw/zinc/32/45/47/171324547.db2.gz SJKBETWKSXPTST-ONGXEEELSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590678 171324548 /nfs/dbraw/zinc/32/45/48/171324548.db2.gz SJKBETWKSXPTST-ONGXEEELSA-N 1 2 232.299 0.307 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338597006 171332718 /nfs/dbraw/zinc/33/27/18/171332718.db2.gz XAUJEPKJMGJICT-UMNHJUIQSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338597006 171332720 /nfs/dbraw/zinc/33/27/20/171332720.db2.gz XAUJEPKJMGJICT-UMNHJUIQSA-N 1 2 246.326 0.696 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](C)O)C(=O)OC ZINC000336656284 171374740 /nfs/dbraw/zinc/37/47/40/171374740.db2.gz OQWMTZBPPIHBSM-DJLDLDEBSA-N 1 2 203.282 0.545 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276594674 171376462 /nfs/dbraw/zinc/37/64/62/171376462.db2.gz NNZIMIKANKUKSM-JOEPOWSHSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353725664 171394605 /nfs/dbraw/zinc/39/46/05/171394605.db2.gz QNPABEAVPJZFCK-XVKPBYJWSA-N 1 2 237.307 0.063 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCn1cncn1)C(=O)OC ZINC000273275359 171399339 /nfs/dbraw/zinc/39/93/39/171399339.db2.gz IATJOMKANRYSNT-UWVGGRQHSA-N 1 2 240.307 0.455 20 0 BCADLO CCCCNC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304419 412088335 /nfs/dbraw/zinc/08/83/35/412088335.db2.gz RSRQILJZHDNFNW-UHFFFAOYSA-N 1 2 239.363 0.716 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665105622 412096973 /nfs/dbraw/zinc/09/69/73/412096973.db2.gz POJGSDJOVLUSNN-URLYPYJESA-N 1 2 235.287 0.282 20 0 BCADLO Cn1nnc(C[N@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662343598 412110964 /nfs/dbraw/zinc/11/09/64/412110964.db2.gz AIYBIKQXTAQESL-MRVPVSSYSA-N 1 2 209.297 0.688 20 0 BCADLO Cn1nnc(C[N@@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662343598 412110967 /nfs/dbraw/zinc/11/09/67/412110967.db2.gz AIYBIKQXTAQESL-MRVPVSSYSA-N 1 2 209.297 0.688 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662375306 412129328 /nfs/dbraw/zinc/12/93/28/412129328.db2.gz OJDFCZUXRPKFHZ-OIBJUYFYSA-N 1 2 236.262 0.606 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662375306 412129332 /nfs/dbraw/zinc/12/93/32/412129332.db2.gz OJDFCZUXRPKFHZ-OIBJUYFYSA-N 1 2 236.262 0.606 20 0 BCADLO CCc1nc(C[NH2+][C@@H]2COC[C@@H]2O)cs1 ZINC000134224331 412129937 /nfs/dbraw/zinc/12/99/37/412129937.db2.gz FWNIKCAHOBCOSF-BDAKNGLRSA-N 1 2 228.317 0.555 20 0 BCADLO CC(C)[NH2+]CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000662467214 412184690 /nfs/dbraw/zinc/18/46/90/412184690.db2.gz SGWYVRDMZFETOX-UHFFFAOYSA-N 1 2 233.275 0.894 20 0 BCADLO C[C@H](CC(=O)Nc1ccc(=O)[nH]n1)n1cc[nH+]c1 ZINC000581013620 412195415 /nfs/dbraw/zinc/19/54/15/412195415.db2.gz CCFVYWOTNZQAMS-MRVPVSSYSA-N 1 2 247.258 0.969 20 0 BCADLO CC[C@H]([NH2+]C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000336736440 171528457 /nfs/dbraw/zinc/52/84/57/171528457.db2.gz MQZNMZGYJVVINL-BDAKNGLRSA-N 1 2 228.292 0.196 20 0 BCADLO Cn1cnc(NCc2cccc3[nH+]ccn32)n1 ZINC000431044927 412158831 /nfs/dbraw/zinc/15/88/31/412158831.db2.gz LUFZOLQXMDVHAO-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BCADLO CNC(=O)CCCNc1cc(C)[nH+]cn1 ZINC000336748412 412262735 /nfs/dbraw/zinc/26/27/35/412262735.db2.gz CQEJBEUHAKSNIX-UHFFFAOYSA-N 1 2 208.265 0.723 20 0 BCADLO CNC(=O)C[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000450850892 412264891 /nfs/dbraw/zinc/26/48/91/412264891.db2.gz WHUFKINWCBYKKM-SSDOTTSWSA-N 1 2 247.302 1.203 20 0 BCADLO CNC(=O)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000450838301 412265481 /nfs/dbraw/zinc/26/54/81/412265481.db2.gz AMWVKZFORGAZRV-QMMMGPOBSA-N 1 2 234.303 1.291 20 0 BCADLO Cc1[nH]nc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1C ZINC000568191886 412280543 /nfs/dbraw/zinc/28/05/43/412280543.db2.gz VXTYYARZYFXRPF-SNVBAGLBSA-N 1 2 236.319 1.305 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](N)C(F)(F)F ZINC000662586187 412227877 /nfs/dbraw/zinc/22/78/77/412227877.db2.gz QGJMKMIHWOKOHM-LURJTMIESA-N 1 2 236.197 0.258 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](N)C(F)(F)F ZINC000662586187 412227880 /nfs/dbraw/zinc/22/78/80/412227880.db2.gz QGJMKMIHWOKOHM-LURJTMIESA-N 1 2 236.197 0.258 20 0 BCADLO C[C@H](O)CNc1cc(NCC(C)(F)F)nc[nH+]1 ZINC000581871344 412249834 /nfs/dbraw/zinc/24/98/34/412249834.db2.gz DCORGWJZSKTFPC-ZETCQYMHSA-N 1 2 246.261 1.336 20 0 BCADLO C[C@H](O)CNc1cc(NCC(C)(F)F)[nH+]cn1 ZINC000581871344 412249837 /nfs/dbraw/zinc/24/98/37/412249837.db2.gz DCORGWJZSKTFPC-ZETCQYMHSA-N 1 2 246.261 1.336 20 0 BCADLO CN1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000359018539 412253292 /nfs/dbraw/zinc/25/32/92/412253292.db2.gz YAEMASZUTHHURG-JTQLQIEISA-N 1 2 246.314 1.387 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc[nH]n1 ZINC000344179219 412312014 /nfs/dbraw/zinc/31/20/14/412312014.db2.gz MWYKGHPUVRPOCH-UHFFFAOYSA-N 1 2 205.221 0.704 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1cc[nH+]c(C)n1 ZINC000525705644 412334185 /nfs/dbraw/zinc/33/41/85/412334185.db2.gz FBWPZLYVCZXYJA-VIFPVBQESA-N 1 2 233.275 0.709 20 0 BCADLO C[C@H](NC(=O)c1cnc(N)cn1)c1[nH+]ccn1C ZINC000662933205 412348734 /nfs/dbraw/zinc/34/87/34/412348734.db2.gz IHPYRLYHGSZKEC-ZETCQYMHSA-N 1 2 246.274 0.283 20 0 BCADLO COC(=O)c1coc(CNc2cc[nH+]c(C)n2)n1 ZINC000593504022 412350420 /nfs/dbraw/zinc/35/04/20/412350420.db2.gz BVCLQPVUNGGQPE-UHFFFAOYSA-N 1 2 248.242 1.172 20 0 BCADLO COC(=O)c1nccnc1NCc1[nH+]ccn1C ZINC000591908348 412352098 /nfs/dbraw/zinc/35/20/98/412352098.db2.gz RRAFZWKQFPTPOA-UHFFFAOYSA-N 1 2 247.258 0.609 20 0 BCADLO Cc1cc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)no1 ZINC000334694904 412354254 /nfs/dbraw/zinc/35/42/54/412354254.db2.gz SKVKPBDRUMPCKF-YUMQZZPRSA-N 1 2 223.276 1.404 20 0 BCADLO COC1C[NH+](CCC(=O)Nc2cc(C)on2)C1 ZINC000546755725 412356270 /nfs/dbraw/zinc/35/62/70/412356270.db2.gz XXNOFXWBJDGSKR-UHFFFAOYSA-N 1 2 239.275 0.642 20 0 BCADLO CNS(=O)(=O)CCCNc1cc[nH+]c(C)n1 ZINC000631481587 412290475 /nfs/dbraw/zinc/29/04/75/412290475.db2.gz RBPAGLQOSMGDSO-UHFFFAOYSA-N 1 2 244.320 0.136 20 0 BCADLO Cc1c[nH]nc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368023853 412300581 /nfs/dbraw/zinc/30/05/81/412300581.db2.gz BRAKYUIJHLOQSX-QMMMGPOBSA-N 1 2 245.286 1.500 20 0 BCADLO CCc1nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)no1 ZINC000333335769 171987969 /nfs/dbraw/zinc/98/79/69/171987969.db2.gz RVQFVEGMQVFYNT-YUMQZZPRSA-N 1 2 238.291 0.389 20 0 BCADLO CCc1nnc([C@@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000309972483 172001503 /nfs/dbraw/zinc/00/15/03/172001503.db2.gz QEMURGIRMMXVEX-SSDOTTSWSA-N 1 2 220.280 0.941 20 0 BCADLO CCc1nnc(C[N@H+](C)CC2(CO)CC2)o1 ZINC000186817541 172048513 /nfs/dbraw/zinc/04/85/13/172048513.db2.gz PUQKFDAQJHAAHQ-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC2(CO)CC2)o1 ZINC000186817541 172048516 /nfs/dbraw/zinc/04/85/16/172048516.db2.gz PUQKFDAQJHAAHQ-UHFFFAOYSA-N 1 2 225.292 0.836 20 0 BCADLO CCc1nnc(C[N@H+](CCO)C2CCC2)n1C ZINC000331795659 172049300 /nfs/dbraw/zinc/04/93/00/172049300.db2.gz QUMPXVZEJNPNBD-UHFFFAOYSA-N 1 2 238.335 0.724 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)C2CCC2)n1C ZINC000331795659 172049305 /nfs/dbraw/zinc/04/93/05/172049305.db2.gz QUMPXVZEJNPNBD-UHFFFAOYSA-N 1 2 238.335 0.724 20 0 BCADLO CCc1nnc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)o1 ZINC000332623874 172050430 /nfs/dbraw/zinc/05/04/30/172050430.db2.gz GVACKNJFEIHOMB-RKDXNWHRSA-N 1 2 241.291 0.478 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)o1 ZINC000351815447 172050522 /nfs/dbraw/zinc/05/05/22/172050522.db2.gz MKIWFOVPIXIXOA-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)o1 ZINC000351815447 172050523 /nfs/dbraw/zinc/05/05/23/172050523.db2.gz MKIWFOVPIXIXOA-HTQZYQBOSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2COCC[NH2+]2)s1 ZINC000150690181 172059541 /nfs/dbraw/zinc/05/95/41/172059541.db2.gz AVKLLGFMEGLUTA-ZCFIWIBFSA-N 1 2 242.304 0.027 20 0 BCADLO CCc1nnc(NC(=O)[C@H]2CSC[NH2+]2)s1 ZINC000224054950 172059766 /nfs/dbraw/zinc/05/97/66/172059766.db2.gz ZQUNGFUXUXPMTM-RXMQYKEDSA-N 1 2 244.345 0.702 20 0 BCADLO CCc1nnc(SCc2c[nH+]cn2C)n1N ZINC000269006460 172063753 /nfs/dbraw/zinc/06/37/53/172063753.db2.gz FYLBKTDQTCTTHH-UHFFFAOYSA-N 1 2 238.320 0.580 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)CC[C@H](C)O ZINC000304291452 172139400 /nfs/dbraw/zinc/13/94/00/172139400.db2.gz CPAIDDRMRDFGTM-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)CC[C@H](C)O ZINC000304291452 172139402 /nfs/dbraw/zinc/13/94/02/172139402.db2.gz CPAIDDRMRDFGTM-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000332740242 172139754 /nfs/dbraw/zinc/13/97/54/172139754.db2.gz YTJLFWVGSFQGLV-PSASIEDQSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000332740242 172139756 /nfs/dbraw/zinc/13/97/56/172139756.db2.gz YTJLFWVGSFQGLV-PSASIEDQSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000332740246 172139907 /nfs/dbraw/zinc/13/99/07/172139907.db2.gz YTJLFWVGSFQGLV-WPRPVWTQSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1c(C)nnc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000332740246 172139910 /nfs/dbraw/zinc/13/99/10/172139910.db2.gz YTJLFWVGSFQGLV-WPRPVWTQSA-N 1 2 224.308 0.562 20 0 BCADLO CCn1cc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000291007705 172152659 /nfs/dbraw/zinc/15/26/59/172152659.db2.gz ZPJKKOQOUVDWSS-UHFFFAOYSA-N 1 2 245.286 0.756 20 0 BCADLO CCn1cc(CC[NH2+][C@]2(C)CCOC2=O)cn1 ZINC000289432808 172160837 /nfs/dbraw/zinc/16/08/37/172160837.db2.gz DBMGQJXEWCXUQC-GFCCVEGCSA-N 1 2 237.303 0.741 20 0 BCADLO CCn1cc(CN(CCO)Cc2c[nH+]c[nH]2)cn1 ZINC000355508970 172162202 /nfs/dbraw/zinc/16/22/02/172162202.db2.gz ZCUVKJHUTUUSQO-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000088094193 172165923 /nfs/dbraw/zinc/16/59/23/172165923.db2.gz GPAUWBRDVLMKGC-NSHDSACASA-N 1 2 225.292 0.096 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000088094193 172165925 /nfs/dbraw/zinc/16/59/25/172165925.db2.gz GPAUWBRDVLMKGC-NSHDSACASA-N 1 2 225.292 0.096 20 0 BCADLO CCn1ccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362770901 172217014 /nfs/dbraw/zinc/21/70/14/172217014.db2.gz VVAHZVUGUIYLEB-UHFFFAOYSA-N 1 2 233.275 0.599 20 0 BCADLO CCn1cc[nH+]c1CN(C)CC(=O)NC(C)C ZINC000195514010 172217815 /nfs/dbraw/zinc/21/78/15/172217815.db2.gz PPNPIYDYLFTELJ-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1ccnc1C[N@H+](C)CCOCCOC ZINC000336719629 172218383 /nfs/dbraw/zinc/21/83/83/172218383.db2.gz RNPKHKKOTHSLGX-UHFFFAOYSA-N 1 2 241.335 0.998 20 0 BCADLO CCn1ccnc1C[N@@H+](C)CCOCCOC ZINC000336719629 172218386 /nfs/dbraw/zinc/21/83/86/172218386.db2.gz RNPKHKKOTHSLGX-UHFFFAOYSA-N 1 2 241.335 0.998 20 0 BCADLO CCn1ccnc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330904525 172219013 /nfs/dbraw/zinc/21/90/13/172219013.db2.gz RCOVNXYIJCQAGB-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCn1ccnc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000330904525 172219016 /nfs/dbraw/zinc/21/90/16/172219016.db2.gz RCOVNXYIJCQAGB-LBPRGKRZSA-N 1 2 239.319 0.486 20 0 BCADLO CCn1cc[nH+]c1CN1CCS(=O)(=O)CC1 ZINC000328633853 172219260 /nfs/dbraw/zinc/21/92/60/172219260.db2.gz BEARWMXNLRIPBN-UHFFFAOYSA-N 1 2 243.332 0.133 20 0 BCADLO CCn1cc[nH+]c1CN(CC(N)=O)C(C)(C)C ZINC000133909808 172220858 /nfs/dbraw/zinc/22/08/58/172220858.db2.gz MZVKWCNINHBOIX-UHFFFAOYSA-N 1 2 238.335 0.989 20 0 BCADLO CCn1ncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000293352802 172253988 /nfs/dbraw/zinc/25/39/88/172253988.db2.gz DSTOBASKICROFJ-VIFPVBQESA-N 1 2 248.290 0.313 20 0 BCADLO CCn1nccc1CC[NH2+][C@@]1(C)CCOC1=O ZINC000289600125 172262192 /nfs/dbraw/zinc/26/21/92/172262192.db2.gz QGGZJZFLMHOVGG-LBPRGKRZSA-N 1 2 237.303 0.741 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCCOCC1 ZINC000377100196 172278182 /nfs/dbraw/zinc/27/81/82/172278182.db2.gz ZGFASTXBGJGFRC-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CCn1ncnc1C[N@H+]1CCCOCC1 ZINC000377100196 172278184 /nfs/dbraw/zinc/27/81/84/172278184.db2.gz ZGFASTXBGJGFRC-UHFFFAOYSA-N 1 2 210.281 0.520 20 0 BCADLO CCn1ncnc1C[N@H+](C[C@H](C)O)C(C)C ZINC000331095561 172279441 /nfs/dbraw/zinc/27/94/41/172279441.db2.gz BJPUKYPEGRRFIJ-JTQLQIEISA-N 1 2 226.324 0.889 20 0 BCADLO CCn1ncnc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000331095561 172279444 /nfs/dbraw/zinc/27/94/44/172279444.db2.gz BJPUKYPEGRRFIJ-JTQLQIEISA-N 1 2 226.324 0.889 20 0 BCADLO CCn1ncnc1C[NH2+][C@@](C)(CC)C(N)=O ZINC000303964582 172281590 /nfs/dbraw/zinc/28/15/90/172281590.db2.gz NHZSIDIXZBTQKW-JTQLQIEISA-N 1 2 225.296 0.042 20 0 BCADLO CCn1ncnc1C[NH2+][C@](C)(CC)C(N)=O ZINC000303964583 172283728 /nfs/dbraw/zinc/28/37/28/172283728.db2.gz NHZSIDIXZBTQKW-SNVBAGLBSA-N 1 2 225.296 0.042 20 0 BCADLO CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000106512744 172320596 /nfs/dbraw/zinc/32/05/96/172320596.db2.gz JASAZTDRXNZABE-JTQLQIEISA-N 1 2 238.291 0.313 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCOC1 ZINC000364948203 172329335 /nfs/dbraw/zinc/32/93/35/172329335.db2.gz JWNUBHGLIDJNLU-MNOVXSKESA-N 1 2 249.314 0.693 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278535342 172366204 /nfs/dbraw/zinc/36/62/04/172366204.db2.gz FNPOHJZSCFXNRF-SNVBAGLBSA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278535342 172366207 /nfs/dbraw/zinc/36/62/07/172366207.db2.gz FNPOHJZSCFXNRF-SNVBAGLBSA-N 1 2 222.292 0.635 20 0 BCADLO CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000154582209 172382675 /nfs/dbraw/zinc/38/26/75/172382675.db2.gz FISALVATRADSNS-JTQLQIEISA-N 1 2 234.303 0.932 20 0 BCADLO CN(CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000134546816 172723152 /nfs/dbraw/zinc/72/31/52/172723152.db2.gz BDNTZYHCZPVMDI-UHFFFAOYSA-N 1 2 217.294 0.165 20 0 BCADLO Cn1cc(C[N@@H+]2CCCN(C)C(=O)C2)cn1 ZINC000373638973 173017994 /nfs/dbraw/zinc/01/79/94/173017994.db2.gz NVMHINWNLFEKEU-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO Cn1cc(C[N@H+]2CCCN(C)C(=O)C2)cn1 ZINC000373638973 173017997 /nfs/dbraw/zinc/01/79/97/173017997.db2.gz NVMHINWNLFEKEU-UHFFFAOYSA-N 1 2 222.292 0.084 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000040672825 173046230 /nfs/dbraw/zinc/04/62/30/173046230.db2.gz FDQQVDCGKMELJS-QMMMGPOBSA-N 1 2 212.322 0.722 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153922639 173049508 /nfs/dbraw/zinc/04/95/08/173049508.db2.gz AUFXOBHHTJZURB-NSHDSACASA-N 1 2 245.286 0.991 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153922639 173049512 /nfs/dbraw/zinc/04/95/12/173049512.db2.gz AUFXOBHHTJZURB-NSHDSACASA-N 1 2 245.286 0.991 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1 ZINC000170234883 173070660 /nfs/dbraw/zinc/07/06/60/173070660.db2.gz YXRRYSXNWFKKNR-UHFFFAOYSA-N 1 2 221.260 0.215 20 0 BCADLO C[NH+]1CCN(C(=O)[C@](C)(O)C2CCC2)CC1 ZINC000362367115 173070960 /nfs/dbraw/zinc/07/09/60/173070960.db2.gz YVWFQYDLPWUWDL-GFCCVEGCSA-N 1 2 226.320 0.312 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000093899990 173071916 /nfs/dbraw/zinc/07/19/16/173071916.db2.gz LNTBFGLKNGXEQK-UHFFFAOYSA-N 1 2 238.262 0.919 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC000037485500 173072042 /nfs/dbraw/zinc/07/20/42/173072042.db2.gz ZACSLPPBYMAHQU-UHFFFAOYSA-N 1 2 240.694 0.518 20 0 BCADLO C[NH+]1CCN(C(=O)c2conc2C2CC2)CC1 ZINC000281136815 173072991 /nfs/dbraw/zinc/07/29/91/173072991.db2.gz JOSFMABWOXJCEB-UHFFFAOYSA-N 1 2 235.287 0.940 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000068226959 173073343 /nfs/dbraw/zinc/07/33/43/173073343.db2.gz UDARDUPKBJNZGI-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cnc[nH]2)C(C)(C)C1 ZINC000270974597 173073444 /nfs/dbraw/zinc/07/34/44/173073444.db2.gz BIQHIZXJJCDFSQ-UHFFFAOYSA-N 1 2 222.292 0.576 20 0 BCADLO C[N@H+]1CCN(C(=O)c2cnc[nH]2)C(C)(C)C1 ZINC000270974597 173073447 /nfs/dbraw/zinc/07/34/47/173073447.db2.gz BIQHIZXJJCDFSQ-UHFFFAOYSA-N 1 2 222.292 0.576 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000041038647 173074465 /nfs/dbraw/zinc/07/44/65/173074465.db2.gz WNVVKAUCMNYDRY-UHFFFAOYSA-N 1 2 223.251 0.608 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC(C)(C)C)C1 ZINC000124578266 173074684 /nfs/dbraw/zinc/07/46/84/173074684.db2.gz QJFCFZWTCPSDSF-SNVBAGLBSA-N 1 2 242.367 0.330 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC(C)(C)C)C1 ZINC000124578266 173074687 /nfs/dbraw/zinc/07/46/87/173074687.db2.gz QJFCFZWTCPSDSF-SNVBAGLBSA-N 1 2 242.367 0.330 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2cccc(F)n2)C1 ZINC000225367647 173076426 /nfs/dbraw/zinc/07/64/26/173076426.db2.gz ZJMQYHUQHVDIGW-JTQLQIEISA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2cccc(F)n2)C1 ZINC000225367647 173076429 /nfs/dbraw/zinc/07/64/29/173076429.db2.gz ZJMQYHUQHVDIGW-JTQLQIEISA-N 1 2 238.310 0.878 20 0 BCADLO CN1CC[N@H+](CCc2ccccn2)CC1=O ZINC000119395599 173082916 /nfs/dbraw/zinc/08/29/16/173082916.db2.gz JPDFZYPSRAMSJY-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO CN1CC[N@@H+](CCc2ccccn2)CC1=O ZINC000119395599 173082917 /nfs/dbraw/zinc/08/29/17/173082917.db2.gz JPDFZYPSRAMSJY-UHFFFAOYSA-N 1 2 219.288 0.398 20 0 BCADLO CN1CCN(Cc2cccc3[nH+]ccn32)CC1=O ZINC000180292387 173086788 /nfs/dbraw/zinc/08/67/88/173086788.db2.gz UUNGLFGPSDTXEH-UHFFFAOYSA-N 1 2 244.298 0.608 20 0 BCADLO C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000341130311 173091477 /nfs/dbraw/zinc/09/14/77/173091477.db2.gz RUFOZFNHCWUCNP-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO C[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000341130311 173091478 /nfs/dbraw/zinc/09/14/78/173091478.db2.gz RUFOZFNHCWUCNP-UHFFFAOYSA-N 1 2 225.296 0.036 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cncc(F)c2)C1 ZINC000281811016 173099771 /nfs/dbraw/zinc/09/97/71/173099771.db2.gz USFDVMCIVWWJMJ-SNVBAGLBSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cncc(F)c2)C1 ZINC000281811016 173099775 /nfs/dbraw/zinc/09/97/75/173099775.db2.gz USFDVMCIVWWJMJ-SNVBAGLBSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)cn2)C1 ZINC000081014762 173100525 /nfs/dbraw/zinc/10/05/25/173100525.db2.gz TXWDJZFVLUOFMX-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)cn2)C1 ZINC000081014762 173100526 /nfs/dbraw/zinc/10/05/26/173100526.db2.gz TXWDJZFVLUOFMX-SECBINFHSA-N 1 2 239.250 0.490 20 0 BCADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1cccnc1 ZINC000266873357 173100778 /nfs/dbraw/zinc/10/07/78/173100778.db2.gz YAPLZJZYSNSOKQ-LLVKDONJSA-N 1 2 235.287 0.375 20 0 BCADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1cccnc1 ZINC000266873357 173100780 /nfs/dbraw/zinc/10/07/80/173100780.db2.gz YAPLZJZYSNSOKQ-LLVKDONJSA-N 1 2 235.287 0.375 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CC3CCC2CC3)C1 ZINC000371445990 173105671 /nfs/dbraw/zinc/10/56/71/173105671.db2.gz AOZYDBMPDBZELF-MCIGGMRASA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CC3CCC2CC3)C1 ZINC000371445990 173105673 /nfs/dbraw/zinc/10/56/73/173105673.db2.gz AOZYDBMPDBZELF-MCIGGMRASA-N 1 2 238.331 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3CC3)C[C@@H]21 ZINC000334830288 173105858 /nfs/dbraw/zinc/10/58/58/173105858.db2.gz VWNQLWHYBWTXED-WDEREUQCSA-N 1 2 239.319 0.121 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3CC3)C[C@@H]21 ZINC000334830288 173105859 /nfs/dbraw/zinc/10/58/59/173105859.db2.gz VWNQLWHYBWTXED-WDEREUQCSA-N 1 2 239.319 0.121 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)C2=CCCCC2)C1 ZINC000336003679 173107729 /nfs/dbraw/zinc/10/77/29/173107729.db2.gz VJTJRRGNSSZZJN-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)C2=CCCCC2)C1 ZINC000336003679 173107730 /nfs/dbraw/zinc/10/77/30/173107730.db2.gz VJTJRRGNSSZZJN-GFCCVEGCSA-N 1 2 238.331 0.934 20 0 BCADLO CN1CC[C@H](C(=O)Nc2cc[nH+]cc2O)CC1=O ZINC000358357194 173142190 /nfs/dbraw/zinc/14/21/90/173142190.db2.gz QOMXOSONDWMYSD-QMMMGPOBSA-N 1 2 249.270 0.016 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCN(C)C1=O ZINC000336643686 173148416 /nfs/dbraw/zinc/14/84/16/173148416.db2.gz DHDDRAWLASIARF-QMMMGPOBSA-N 1 2 208.265 0.072 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2ccc(F)cn2)C1=O ZINC000276433912 173149532 /nfs/dbraw/zinc/14/95/32/173149532.db2.gz ZCDCNQYPJRWCPZ-NSHDSACASA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2ccc(F)cn2)C1=O ZINC000276433912 173149534 /nfs/dbraw/zinc/14/95/34/173149534.db2.gz ZCDCNQYPJRWCPZ-NSHDSACASA-N 1 2 237.278 0.883 20 0 BCADLO CNc1ccc(Nc2cc(C)nc(OC)n2)c[nH+]1 ZINC000357332351 173210249 /nfs/dbraw/zinc/21/02/49/173210249.db2.gz GBXYSOIHVQPJPG-UHFFFAOYSA-N 1 2 245.286 0.818 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccnc(Cl)c1 ZINC000052709273 173269037 /nfs/dbraw/zinc/26/90/37/173269037.db2.gz POHRQIADAROJHP-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000052709273 173269040 /nfs/dbraw/zinc/26/90/40/173269040.db2.gz POHRQIADAROJHP-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)CN(C)Cc1cn2c(cccc2C)[nH+]1 ZINC000298714141 173269496 /nfs/dbraw/zinc/26/94/96/173269496.db2.gz LODQRHOMKVZIDA-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CNC(=O)C[N@H+](CCOC)Cc1cccnc1 ZINC000292944304 173273037 /nfs/dbraw/zinc/27/30/37/173273037.db2.gz UVRSSOYVTILITJ-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CNC(=O)C[N@@H+](CCOC)Cc1cccnc1 ZINC000292944304 173273038 /nfs/dbraw/zinc/27/30/38/173273038.db2.gz UVRSSOYVTILITJ-UHFFFAOYSA-N 1 2 237.303 0.276 20 0 BCADLO CNC(=O)C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285580008 173274720 /nfs/dbraw/zinc/27/47/20/173274720.db2.gz TWGPPVPPZGEQMR-UHFFFAOYSA-N 1 2 236.271 0.333 20 0 BCADLO CNC(=O)C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285580008 173274721 /nfs/dbraw/zinc/27/47/21/173274721.db2.gz TWGPPVPPZGEQMR-UHFFFAOYSA-N 1 2 236.271 0.333 20 0 BCADLO CNC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290094919 173274777 /nfs/dbraw/zinc/27/47/77/173274777.db2.gz ZTHOTLTXCBZQJR-SECBINFHSA-N 1 2 242.710 0.529 20 0 BCADLO CNC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290094919 173274778 /nfs/dbraw/zinc/27/47/78/173274778.db2.gz ZTHOTLTXCBZQJR-SECBINFHSA-N 1 2 242.710 0.529 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772259 173274962 /nfs/dbraw/zinc/27/49/62/173274962.db2.gz QYLSHTLDICTWBI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772259 173274963 /nfs/dbraw/zinc/27/49/63/173274963.db2.gz QYLSHTLDICTWBI-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CNC(=O)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287555549 173276334 /nfs/dbraw/zinc/27/63/34/173276334.db2.gz PELGYTLKEBYYDH-UHFFFAOYSA-N 1 2 236.275 0.566 20 0 BCADLO CNC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000298377191 173277394 /nfs/dbraw/zinc/27/73/94/173277394.db2.gz VKINGNVSKZTJGB-LURJTMIESA-N 1 2 229.230 0.756 20 0 BCADLO CNC(=O)C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000037207438 173277568 /nfs/dbraw/zinc/27/75/68/173277568.db2.gz BGPQBEUCHGUSNH-UHFFFAOYSA-N 1 2 245.286 0.103 20 0 BCADLO CNC(=O)C[NH2+]Cc1ncc(CSC)s1 ZINC000294053951 173277782 /nfs/dbraw/zinc/27/77/82/173277782.db2.gz JPHDAZVALIKYLQ-UHFFFAOYSA-N 1 2 245.373 0.842 20 0 BCADLO CNC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000336466976 173285549 /nfs/dbraw/zinc/28/55/49/173285549.db2.gz RDBIURBWVLHCKM-UHFFFAOYSA-N 1 2 248.330 0.581 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2ccncc2C)CC1 ZINC000294959811 173285551 /nfs/dbraw/zinc/28/55/51/173285551.db2.gz WDZMKVQDVJKPMK-UHFFFAOYSA-N 1 2 248.330 0.847 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000016381032 173287484 /nfs/dbraw/zinc/28/74/84/173287484.db2.gz RSSKEXKQXWWXOI-MRVPVSSYSA-N 1 2 239.275 0.556 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000016381032 173287485 /nfs/dbraw/zinc/28/74/85/173287485.db2.gz RSSKEXKQXWWXOI-MRVPVSSYSA-N 1 2 239.275 0.556 20 0 BCADLO CNC(=O)NCCC(=O)Nc1cc[nH+]cc1C ZINC000293502774 173290642 /nfs/dbraw/zinc/29/06/42/173290642.db2.gz UWMDSILFDZZMKU-UHFFFAOYSA-N 1 2 236.275 0.648 20 0 BCADLO CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178790210 173292799 /nfs/dbraw/zinc/29/27/99/173292799.db2.gz ZAEWNRWTPKBRQS-VIFPVBQESA-N 1 2 220.276 0.589 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000336746974 173295056 /nfs/dbraw/zinc/29/50/56/173295056.db2.gz BLESPJHECDDLLE-ZCFIWIBFSA-N 1 2 230.699 0.298 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000308927566 173295395 /nfs/dbraw/zinc/29/53/95/173295395.db2.gz IPTQWUZBGIJDCX-JGVFFNPUSA-N 1 2 211.265 0.768 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000309536962 173299275 /nfs/dbraw/zinc/29/92/75/173299275.db2.gz FEVHOHNYOQDIEQ-ZJUUUORDSA-N 1 2 222.292 0.414 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000182482550 173300348 /nfs/dbraw/zinc/30/03/48/173300348.db2.gz YACGEPJFXDIZGI-NSHDSACASA-N 1 2 235.287 0.028 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000182482550 173300349 /nfs/dbraw/zinc/30/03/49/173300349.db2.gz YACGEPJFXDIZGI-NSHDSACASA-N 1 2 235.287 0.028 20 0 BCADLO CNC(=O)[C@@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000272899272 173300480 /nfs/dbraw/zinc/30/04/80/173300480.db2.gz PDUSMDLSLBVLSX-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000272899272 173300481 /nfs/dbraw/zinc/30/04/81/173300481.db2.gz PDUSMDLSLBVLSX-LBPRGKRZSA-N 1 2 249.314 0.337 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1ncccn1)C(C)C ZINC000336753609 173305569 /nfs/dbraw/zinc/30/55/69/173305569.db2.gz FDLZNGOXEYPSCY-SNVBAGLBSA-N 1 2 222.292 0.337 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)c1cccn1C ZINC000050154541 173307287 /nfs/dbraw/zinc/30/72/87/173307287.db2.gz BTNWXDLKHJDPIT-LLVKDONJSA-N 1 2 249.314 0.418 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)c1cccn1C ZINC000050154541 173307288 /nfs/dbraw/zinc/30/72/88/173307288.db2.gz BTNWXDLKHJDPIT-LLVKDONJSA-N 1 2 249.314 0.418 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000272902352 173308336 /nfs/dbraw/zinc/30/83/36/173308336.db2.gz PVPHZYLAMSCJQX-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000272902352 173308337 /nfs/dbraw/zinc/30/83/37/173308337.db2.gz PVPHZYLAMSCJQX-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000359654244 173308342 /nfs/dbraw/zinc/30/83/42/173308342.db2.gz XNUPGRLOMCDKEF-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000359654244 173308343 /nfs/dbraw/zinc/30/83/43/173308343.db2.gz XNUPGRLOMCDKEF-SSDOTTSWSA-N 1 2 240.225 0.386 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000332696389 173308549 /nfs/dbraw/zinc/30/85/49/173308549.db2.gz WHSOBPPTFQZBEW-SNVBAGLBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000332696389 173308550 /nfs/dbraw/zinc/30/85/50/173308550.db2.gz WHSOBPPTFQZBEW-SNVBAGLBSA-N 1 2 240.332 0.496 20 0 BCADLO CNC(=O)[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000282121375 173308802 /nfs/dbraw/zinc/30/88/02/173308802.db2.gz ZTPZNPPMGXPOPH-GFCCVEGCSA-N 1 2 234.303 0.747 20 0 BCADLO C[NH2+]CC(=O)/N=c1/sc2ccccc2n1C ZINC000193127512 173324039 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174323405 /nfs/dbraw/zinc/32/34/05/174323405.db2.gz XMYYPCUUHSOENS-UHFFFAOYSA-N 1 2 238.291 0.134 20 0 BCADLO COCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083372362 174327940 /nfs/dbraw/zinc/32/79/40/174327940.db2.gz OZORURXBECOPRT-SNVBAGLBSA-N 1 2 244.241 0.727 20 0 BCADLO COCCNc1cc(NCCOC)[nH+]cn1 ZINC000120330271 174341269 /nfs/dbraw/zinc/34/12/69/174341269.db2.gz OALXWOGWCUVOJL-UHFFFAOYSA-N 1 2 226.280 0.593 20 0 BCADLO COCCNc1nc[nH+]c(N)c1Cl ZINC000234728356 174342628 /nfs/dbraw/zinc/34/26/28/174342628.db2.gz NJODNMYGVMULAP-UHFFFAOYSA-N 1 2 202.645 0.771 20 0 BCADLO COCCNc1[nH+]cnc(N)c1Cl ZINC000234728356 174342629 /nfs/dbraw/zinc/34/26/29/174342629.db2.gz NJODNMYGVMULAP-UHFFFAOYSA-N 1 2 202.645 0.771 20 0 BCADLO COCCOCCC(=O)NCc1[nH]c[nH+]c1C ZINC000358582525 174349124 /nfs/dbraw/zinc/34/91/24/174349124.db2.gz AOMGBZNADQPOLD-UHFFFAOYSA-N 1 2 241.291 0.387 20 0 BCADLO COCCOCC[N@H+](C)Cc1cnc[nH]1 ZINC000288788261 174351726 /nfs/dbraw/zinc/35/17/26/174351726.db2.gz 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COCCOCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352450729 174354592 /nfs/dbraw/zinc/35/45/92/174354592.db2.gz SHMNTHHGUKXXPS-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO COCCOCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362078122 174354954 /nfs/dbraw/zinc/35/49/54/174354954.db2.gz PSBNERMCGRUDEY-QWRGUYRKSA-N 1 2 249.376 0.491 20 0 BCADLO COCCOC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000339262556 174363617 /nfs/dbraw/zinc/36/36/17/174363617.db2.gz CICPBAAABXNKJJ-QMMMGPOBSA-N 1 2 241.291 0.499 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000188828359 174366191 /nfs/dbraw/zinc/36/61/91/174366191.db2.gz QPCPTAUBPABXIK-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000188828359 174366193 /nfs/dbraw/zinc/36/61/93/174366193.db2.gz QPCPTAUBPABXIK-LBPRGKRZSA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000358429230 174390745 /nfs/dbraw/zinc/39/07/45/174390745.db2.gz XSURTAFFMRHLGR-VIFPVBQESA-N 1 2 241.291 0.499 20 0 BCADLO COCC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC000291109971 174399076 /nfs/dbraw/zinc/39/90/76/174399076.db2.gz SOTMXQZJMNKUAR-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccco1 ZINC000184533191 174584469 /nfs/dbraw/zinc/58/44/69/174584469.db2.gz ZWNCPKNPKHAGQG-BDAKNGLRSA-N 1 2 224.260 0.445 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC000309413232 174585159 /nfs/dbraw/zinc/58/51/59/174585159.db2.gz CCVCUTCFPBPCIP-BBBLOLIVSA-N 1 2 231.292 0.332 20 0 BCADLO CO[C@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308606422 174804613 /nfs/dbraw/zinc/80/46/13/174804613.db2.gz LSFWTFVZOOXABM-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000267964598 174884899 /nfs/dbraw/zinc/88/48/99/174884899.db2.gz ODIASJFFPKKGFW-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO COc1cc(OC)nc(NCc2[nH+]ccn2C)n1 ZINC000135003069 175012384 /nfs/dbraw/zinc/01/23/84/175012384.db2.gz ACXJXTMHZDRSPC-UHFFFAOYSA-N 1 2 249.274 0.839 20 0 BCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000054455753 175057077 /nfs/dbraw/zinc/05/70/77/175057077.db2.gz JRHONUWATSPXRJ-UHFFFAOYSA-N 1 2 235.287 0.478 20 0 BCADLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)nc1 ZINC000371474215 175099534 /nfs/dbraw/zinc/09/95/34/175099534.db2.gz XLRITISRCOVWCR-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)nc1 ZINC000371474215 175099535 /nfs/dbraw/zinc/09/95/35/175099535.db2.gz XLRITISRCOVWCR-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cn1 ZINC000362840159 175100366 /nfs/dbraw/zinc/10/03/66/175100366.db2.gz RTNDWLGXEFFBEK-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO COc1cccc(C[N@H+](C)CC(N)=O)n1 ZINC000264909674 175253544 /nfs/dbraw/zinc/25/35/44/175253544.db2.gz NGEQTBNVYCNKRD-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1cccc(C[N@@H+](C)CC(N)=O)n1 ZINC000264909674 175253547 /nfs/dbraw/zinc/25/35/47/175253547.db2.gz NGEQTBNVYCNKRD-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000094272992 175260356 /nfs/dbraw/zinc/26/03/56/175260356.db2.gz BFVHTOFRZCOVEW-ZDUSSCGKSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cccc(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000094272992 175260358 /nfs/dbraw/zinc/26/03/58/175260358.db2.gz BFVHTOFRZCOVEW-ZDUSSCGKSA-N 1 2 237.299 0.888 20 0 BCADLO COc1cccc([C@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)c1 ZINC000271606414 175293614 /nfs/dbraw/zinc/29/36/14/175293614.db2.gz AOOVMAOFYWSWLT-QMMMGPOBSA-N 1 2 248.286 0.957 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N(C3CC3)C2)c1 ZINC000279095901 175358469 /nfs/dbraw/zinc/35/84/69/175358469.db2.gz IUYZCHBQSOTWNT-UHFFFAOYSA-N 1 2 247.298 0.854 20 0 BCADLO COc1cc[nH+]c(CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282291168 175358481 /nfs/dbraw/zinc/35/84/81/175358481.db2.gz SDEBUPDAQPPWBY-SNVBAGLBSA-N 1 2 249.314 0.753 20 0 BCADLO COc1cc[nH+]c(CN2CCO[C@@H](CO)C2)c1 ZINC000267428745 175358826 /nfs/dbraw/zinc/35/88/26/175358826.db2.gz YIZVDVGLPZABIJ-GFCCVEGCSA-N 1 2 238.287 0.283 20 0 BCADLO COc1cc[nH+]c(CN2CCn3ncnc3C2)c1 ZINC000329970229 175360678 /nfs/dbraw/zinc/36/06/78/175360678.db2.gz UWWRPJKSLWVUNF-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1ccnc(NCCn2cc[nH+]c2)n1 ZINC000162295169 175364235 /nfs/dbraw/zinc/36/42/35/175364235.db2.gz AYKMYADFODHBQD-UHFFFAOYSA-N 1 2 219.248 0.794 20 0 BCADLO COc1ccncc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000376555308 175370909 /nfs/dbraw/zinc/37/09/09/175370909.db2.gz VBGNZSBUZINRNB-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccncc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000376555308 175370911 /nfs/dbraw/zinc/37/09/11/175370911.db2.gz VBGNZSBUZINRNB-SNVBAGLBSA-N 1 2 249.314 0.801 20 0 BCADLO COc1ccncc1C[NH2+]CN1CCC(=O)CC1 ZINC000293774789 175371611 /nfs/dbraw/zinc/37/16/11/175371611.db2.gz BKIMLXCKZFFKQB-UHFFFAOYSA-N 1 2 249.314 0.802 20 0 BCADLO COc1cc[nH+]cc1COC(=O)c1cnnn1C ZINC000287028277 175373274 /nfs/dbraw/zinc/37/32/74/175373274.db2.gz RONJRGDBVFBDAB-UHFFFAOYSA-N 1 2 248.242 0.576 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000364469416 175375036 /nfs/dbraw/zinc/37/50/36/175375036.db2.gz UFSAKCIWAZCVLM-GFCCVEGCSA-N 1 2 249.270 0.555 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)C ZINC000354106423 175375320 /nfs/dbraw/zinc/37/53/20/175375320.db2.gz DPKDKMGEQBMYGD-UHFFFAOYSA-N 1 2 223.232 0.117 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000270330549 175375447 /nfs/dbraw/zinc/37/54/47/175375447.db2.gz HXFCALKUEHLTTR-QMMMGPOBSA-N 1 2 249.270 0.697 20 0 BCADLO COc1cnc(C(=O)NCc2[nH+]ccn2C)nc1 ZINC000339911918 175381198 /nfs/dbraw/zinc/38/11/98/175381198.db2.gz NVLDHFZVXWUTSM-UHFFFAOYSA-N 1 2 247.258 0.149 20 0 BCADLO COc1cncc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000290152628 175386255 /nfs/dbraw/zinc/38/62/55/175386255.db2.gz CROBLJVLQDVNCV-UHFFFAOYSA-N 1 2 249.314 0.754 20 0 BCADLO C[C@@H](C(=O)[O-])[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000310547481 175624898 /nfs/dbraw/zinc/62/48/98/175624898.db2.gz VLWSYGONQSBXHO-VIFPVBQESA-N 1 2 238.291 0.000 20 0 BCADLO c1nnn2c1CN(Cc1c[nH+]c3n1CCC3)CC2 ZINC000668294829 487631339 /nfs/dbraw/zinc/63/13/39/487631339.db2.gz DQDPSEDJSIAEPU-UHFFFAOYSA-N 1 2 244.302 0.437 20 0 BCADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)NC1CC1 ZINC000336737807 175920539 /nfs/dbraw/zinc/92/05/39/175920539.db2.gz JSGCXLATQALLAD-HTQZYQBOSA-N 1 2 223.276 0.992 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccon1 ZINC000308997588 175926984 /nfs/dbraw/zinc/92/69/84/175926984.db2.gz NBNSJNSZKRICRW-APPZFPTMSA-N 1 2 209.249 0.556 20 0 BCADLO C[C@@H](O)CCCNc1[nH+]cnc2c1cnn2C ZINC000227931079 175950999 /nfs/dbraw/zinc/95/09/99/175950999.db2.gz DRQVNZUEJUCDOB-MRVPVSSYSA-N 1 2 235.291 0.936 20 0 BCADLO C[C@H]([C@H](C)N(C)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC000093420674 176010922 /nfs/dbraw/zinc/01/09/22/176010922.db2.gz NCCNDSQQMVWFEH-DTWKUNHWSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@H]([C@H](C)N(C)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC000093420674 176010923 /nfs/dbraw/zinc/01/09/23/176010923.db2.gz NCCNDSQQMVWFEH-DTWKUNHWSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@@H](c1ccccc1)[NH+](CC(N)=O)CC(N)=O ZINC000031467871 176020729 /nfs/dbraw/zinc/02/07/29/176020729.db2.gz DRVCHCDQYJTCGF-VIFPVBQESA-N 1 2 235.287 0.020 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668303 176035328 /nfs/dbraw/zinc/03/53/28/176035328.db2.gz QYRLFVXNSUBZAS-ONGXEEELSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668303 176035331 /nfs/dbraw/zinc/03/53/31/176035331.db2.gz QYRLFVXNSUBZAS-ONGXEEELSA-N 1 2 234.303 0.700 20 0 BCADLO C[C@@H](c1cnccn1)[NH+]1CC(O)(C2CC2)C1 ZINC000365714150 176035729 /nfs/dbraw/zinc/03/57/29/176035729.db2.gz VJMNUMYHQDVDJD-VIFPVBQESA-N 1 2 219.288 0.994 20 0 BCADLO C[C@@H](c1cnccn1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000373364392 176037471 /nfs/dbraw/zinc/03/74/71/176037471.db2.gz UIQLENKNZXXQFR-UWVGGRQHSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@@H](c1cnccn1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000373364392 176037472 /nfs/dbraw/zinc/03/74/72/176037472.db2.gz UIQLENKNZXXQFR-UWVGGRQHSA-N 1 2 248.286 0.674 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCOC[C@H](C)C1 ZINC000329878710 176041147 /nfs/dbraw/zinc/04/11/47/176041147.db2.gz LFCANSBNFLYVPW-BDAKNGLRSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCOC[C@H](C)C1 ZINC000329878710 176041149 /nfs/dbraw/zinc/04/11/49/176041149.db2.gz LFCANSBNFLYVPW-BDAKNGLRSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000336525823 176042530 /nfs/dbraw/zinc/04/25/30/176042530.db2.gz CKGYHGXFGSMLSF-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C(=O)N(Cc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000267813551 176044694 /nfs/dbraw/zinc/04/46/94/176044694.db2.gz UQEASDNFEPIBGM-OCAPTIKFSA-N 1 2 221.260 0.561 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000123534406 176046374 /nfs/dbraw/zinc/04/63/74/176046374.db2.gz NQDUGRIATKNERU-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000123534406 176046376 /nfs/dbraw/zinc/04/63/76/176046376.db2.gz NQDUGRIATKNERU-SECBINFHSA-N 1 2 207.277 0.345 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1nccs1 ZINC000363150334 176050195 /nfs/dbraw/zinc/05/01/95/176050195.db2.gz OWZCXANXVRFNPN-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1nccs1 ZINC000363150334 176050196 /nfs/dbraw/zinc/05/01/96/176050196.db2.gz OWZCXANXVRFNPN-MRVPVSSYSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1CO ZINC000331075640 176155404 /nfs/dbraw/zinc/15/54/04/176155404.db2.gz UZPKCVOVEGBWRT-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1CO ZINC000331075640 176155406 /nfs/dbraw/zinc/15/54/06/176155406.db2.gz UZPKCVOVEGBWRT-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1CO ZINC000226335867 176155614 /nfs/dbraw/zinc/15/56/14/176155614.db2.gz QNENWONVKBKXJF-MNOVXSKESA-N 1 2 237.303 0.503 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH+]c[nH]2)CC[S@@]1=O ZINC000361322849 176178038 /nfs/dbraw/zinc/17/80/38/176178038.db2.gz AJPQJKDVVPJATA-PSLIRLAXSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CCN(Cc2c[nH]c[nH+]2)CC[S@@]1=O ZINC000361322849 176178039 /nfs/dbraw/zinc/17/80/39/176178039.db2.gz AJPQJKDVVPJATA-PSLIRLAXSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ncnn2CCF)[C@H]1CO ZINC000332686535 176178832 /nfs/dbraw/zinc/17/88/32/176178832.db2.gz UPEWSWUNCABXLI-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CCF)[C@H]1CO ZINC000332686535 176178833 /nfs/dbraw/zinc/17/88/33/176178833.db2.gz UPEWSWUNCABXLI-ZJUUUORDSA-N 1 2 242.298 0.450 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccon1 ZINC000193656868 176184014 /nfs/dbraw/zinc/18/40/14/176184014.db2.gz UWVRRZTUSSHGEJ-VXNVDRBHSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000336591812 176195253 /nfs/dbraw/zinc/19/52/53/176195253.db2.gz UGYODXQURFJHIR-KOLCDFICSA-N 1 2 235.287 0.793 20 0 BCADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000194439447 176197331 /nfs/dbraw/zinc/19/73/31/176197331.db2.gz PMUIBJKKNMUXHY-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000194439447 176197332 /nfs/dbraw/zinc/19/73/32/176197332.db2.gz PMUIBJKKNMUXHY-RKDXNWHRSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CO ZINC000360837640 176246530 /nfs/dbraw/zinc/24/65/30/176246530.db2.gz QGYJTIJEDHTLBW-GHMZBOCLSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000264083355 176251637 /nfs/dbraw/zinc/25/16/37/176251637.db2.gz DAKNOUXWNDZHDI-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H](C(N)=O)O1 ZINC000366114926 176285761 /nfs/dbraw/zinc/28/57/61/176285761.db2.gz LWRBDOSBKQBBEH-RNFRBKRXSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H](C(N)=O)O1 ZINC000366114926 176285764 /nfs/dbraw/zinc/28/57/64/176285764.db2.gz LWRBDOSBKQBBEH-RNFRBKRXSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000366114929 176286119 /nfs/dbraw/zinc/28/61/19/176286119.db2.gz LWRBDOSBKQBBEH-RQJHMYQMSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000366114929 176286120 /nfs/dbraw/zinc/28/61/20/176286120.db2.gz LWRBDOSBKQBBEH-RQJHMYQMSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[S@@]1=O ZINC000339004035 176299942 /nfs/dbraw/zinc/29/99/42/176299942.db2.gz PRMYRQNSEILFER-RULNRJAQSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118233 176295573 /nfs/dbraw/zinc/29/55/73/176295573.db2.gz HNXQFKLTJSPQOJ-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118233 176295575 /nfs/dbraw/zinc/29/55/75/176295575.db2.gz HNXQFKLTJSPQOJ-YPMHNXCESA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[S@@]1=O ZINC000339004035 176299941 /nfs/dbraw/zinc/29/99/41/176299941.db2.gz PRMYRQNSEILFER-RULNRJAQSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H](C(N)=O)O1 ZINC000122724489 176306954 /nfs/dbraw/zinc/30/69/54/176306954.db2.gz RDDSZCAHFQRHRJ-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H](C(N)=O)O1 ZINC000122724489 176306955 /nfs/dbraw/zinc/30/69/55/176306955.db2.gz RDDSZCAHFQRHRJ-KOLCDFICSA-N 1 2 235.287 0.156 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H](C(N)=O)O1 ZINC000092008173 176307986 /nfs/dbraw/zinc/30/79/86/176307986.db2.gz BNNHPHFGYHWNBU-KOLCDFICSA-N 1 2 237.303 0.100 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H](C(N)=O)O1 ZINC000092008173 176307987 /nfs/dbraw/zinc/30/79/87/176307987.db2.gz BNNHPHFGYHWNBU-KOLCDFICSA-N 1 2 237.303 0.100 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)CC(=O)N1 ZINC000294923777 176308420 /nfs/dbraw/zinc/30/84/20/176308420.db2.gz FVORJEJURDQVQW-SECBINFHSA-N 1 2 205.261 0.402 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CC(=O)N1 ZINC000294923777 176308423 /nfs/dbraw/zinc/30/84/23/176308423.db2.gz FVORJEJURDQVQW-SECBINFHSA-N 1 2 205.261 0.402 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000191776423 176308531 /nfs/dbraw/zinc/30/85/31/176308531.db2.gz GAGGDAICHVAMEL-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000191776423 176308533 /nfs/dbraw/zinc/30/85/33/176308533.db2.gz GAGGDAICHVAMEL-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000271019949 176309222 /nfs/dbraw/zinc/30/92/22/176309222.db2.gz ASNJVLRYUARMCT-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000271019949 176309224 /nfs/dbraw/zinc/30/92/24/176309224.db2.gz ASNJVLRYUARMCT-SNVBAGLBSA-N 1 2 236.319 0.763 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000367659082 176309987 /nfs/dbraw/zinc/30/99/87/176309987.db2.gz SFYNTWQPJKATMO-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000367659082 176309988 /nfs/dbraw/zinc/30/99/88/176309988.db2.gz SFYNTWQPJKATMO-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@@H]1C[NH+](Cc2cnnn2C)C[C@@H](C)O1 ZINC000127046405 176310149 /nfs/dbraw/zinc/31/01/49/176310149.db2.gz ISAJOPOSMAPHPO-RKDXNWHRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[S@@]1=O ZINC000353860449 176311530 /nfs/dbraw/zinc/31/15/30/176311530.db2.gz DWZQKRPAGFOZQR-CLAHSXSESA-N 1 2 213.306 0.363 20 0 BCADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCS(=O)(=O)C1 ZINC000331688303 176312225 /nfs/dbraw/zinc/31/22/25/176312225.db2.gz WJOYLKZUVBGFPW-SECBINFHSA-N 1 2 243.332 0.276 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CCS1 ZINC000336709479 176313420 /nfs/dbraw/zinc/31/34/20/176313420.db2.gz XGJXXUKDFCPPPP-MRVPVSSYSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CCS1 ZINC000336709479 176313421 /nfs/dbraw/zinc/31/34/21/176313421.db2.gz XGJXXUKDFCPPPP-MRVPVSSYSA-N 1 2 239.348 0.945 20 0 BCADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334300540 176315415 /nfs/dbraw/zinc/31/54/15/176315415.db2.gz UUZXDSOBMSZOOR-MWLCHTKSSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334300540 176315418 /nfs/dbraw/zinc/31/54/18/176315418.db2.gz UUZXDSOBMSZOOR-MWLCHTKSSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCN(C3CC3)C2=O)C[C@@H](C)O1 ZINC000336718666 176315649 /nfs/dbraw/zinc/31/56/49/176315649.db2.gz WYXAIAWZPWNGEM-CKYFFXLPSA-N 1 2 238.331 0.859 20 0 BCADLO C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348921094 176316560 /nfs/dbraw/zinc/31/65/60/176316560.db2.gz QMRYSEDKBDPKBS-OPRDCNLKSA-N 1 2 226.320 0.763 20 0 BCADLO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1n[nH]c(=O)[nH]1 ZINC000329207658 176323834 /nfs/dbraw/zinc/32/38/34/176323834.db2.gz BKKJYXQVXMSZSK-BDAKNGLRSA-N 1 2 237.307 0.179 20 0 BCADLO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1n[nH]c(=O)[nH]1 ZINC000329207658 176323836 /nfs/dbraw/zinc/32/38/36/176323836.db2.gz BKKJYXQVXMSZSK-BDAKNGLRSA-N 1 2 237.307 0.179 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2cn(C)nn2)C1 ZINC000336694488 176332699 /nfs/dbraw/zinc/33/26/99/176332699.db2.gz DJGDOBJNJFAHPE-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336694488 176332700 /nfs/dbraw/zinc/33/27/00/176332700.db2.gz DJGDOBJNJFAHPE-VIFPVBQESA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H]1COCC[N@H+](Cc2ncnn2CCF)C1 ZINC000370005283 176332808 /nfs/dbraw/zinc/33/28/08/176332808.db2.gz HOFPAXYYJVZAGW-JTQLQIEISA-N 1 2 242.298 0.716 20 0 BCADLO C[C@@H]1COCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000370005283 176332810 /nfs/dbraw/zinc/33/28/10/176332810.db2.gz HOFPAXYYJVZAGW-JTQLQIEISA-N 1 2 242.298 0.716 20 0 BCADLO C[C@@H]1COCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000378259626 176333452 /nfs/dbraw/zinc/33/34/52/176333452.db2.gz NAWCFISYKJUZIR-VIFPVBQESA-N 1 2 247.302 0.836 20 0 BCADLO C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000369736256 176334399 /nfs/dbraw/zinc/33/43/99/176334399.db2.gz MYFPXHWGSDGFDM-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000336710620 176335719 /nfs/dbraw/zinc/33/57/19/176335719.db2.gz ZUQQOPQAGBYDTM-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000336710620 176335721 /nfs/dbraw/zinc/33/57/21/176335721.db2.gz ZUQQOPQAGBYDTM-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC1(C)C ZINC000337354647 176336052 /nfs/dbraw/zinc/33/60/52/176336052.db2.gz BOLOSLVYIPIFLG-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC1(C)C ZINC000337354647 176336053 /nfs/dbraw/zinc/33/60/53/176336053.db2.gz BOLOSLVYIPIFLG-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H](F)C1 ZINC000336262835 176336677 /nfs/dbraw/zinc/33/66/77/176336677.db2.gz DLQNRBYRCISJLY-GHMZBOCLSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CC[C@@H](F)C1 ZINC000336262835 176336679 /nfs/dbraw/zinc/33/66/79/176336679.db2.gz DLQNRBYRCISJLY-GHMZBOCLSA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CC(N)=O ZINC000371602021 176346520 /nfs/dbraw/zinc/34/65/20/176346520.db2.gz NNGGOXMJQBYELB-PWSUYJOCSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CC(N)=O ZINC000371602021 176346521 /nfs/dbraw/zinc/34/65/21/176346521.db2.gz NNGGOXMJQBYELB-PWSUYJOCSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CO1 ZINC000162245675 176359079 /nfs/dbraw/zinc/35/90/79/176359079.db2.gz WSQORNGNDXUKLF-RKDXNWHRSA-N 1 2 223.276 0.493 20 0 BCADLO C[C@H](C(=O)N1C[C@H](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000354381730 176363305 /nfs/dbraw/zinc/36/33/05/176363305.db2.gz AUROPSCMEVXHQE-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CCO1 ZINC000271362362 176372876 /nfs/dbraw/zinc/37/28/76/176372876.db2.gz FBFDFHHJYZHGBG-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944404 176385499 /nfs/dbraw/zinc/38/54/99/176385499.db2.gz ZUGPJKCIEMRPLU-UTUOFQBUSA-N 1 2 238.331 0.576 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355138370 176389935 /nfs/dbraw/zinc/38/99/35/176389935.db2.gz GLKLJUBQCONPKE-UTUOFQBUSA-N 1 2 237.347 0.149 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1CCF ZINC000332673216 176428556 /nfs/dbraw/zinc/42/85/56/176428556.db2.gz RKHXRYWASFTGLF-BDAKNGLRSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncnn1CCF ZINC000332673216 176428557 /nfs/dbraw/zinc/42/85/57/176428557.db2.gz RKHXRYWASFTGLF-BDAKNGLRSA-N 1 2 228.271 0.203 20 0 BCADLO Cc1c[nH]nc1C(=O)NCCCn1cc[nH+]c1 ZINC000669586206 487635619 /nfs/dbraw/zinc/63/56/19/487635619.db2.gz USYAEXIEBFODKQ-UHFFFAOYSA-N 1 2 233.275 0.735 20 0 BCADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000336661284 176981114 /nfs/dbraw/zinc/98/11/14/176981114.db2.gz HBASMKFWZYPHNZ-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000336661284 176981116 /nfs/dbraw/zinc/98/11/16/176981116.db2.gz HBASMKFWZYPHNZ-GXSJLCMTSA-N 1 2 225.292 0.174 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246375172 177043962 /nfs/dbraw/zinc/04/39/62/177043962.db2.gz OGXVEASERDESAB-MWLCHTKSSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246375172 177043964 /nfs/dbraw/zinc/04/39/64/177043964.db2.gz OGXVEASERDESAB-MWLCHTKSSA-N 1 2 235.287 0.329 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CCN(C)C(=O)C1 ZINC000177268072 177044278 /nfs/dbraw/zinc/04/42/78/177044278.db2.gz PDCYCLCGNGNQQE-SNVBAGLBSA-N 1 2 219.288 0.917 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CCN(C)C(=O)C1 ZINC000177268072 177044279 /nfs/dbraw/zinc/04/42/79/177044279.db2.gz PDCYCLCGNGNQQE-SNVBAGLBSA-N 1 2 219.288 0.917 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCCCO ZINC000361848405 177055389 /nfs/dbraw/zinc/05/53/89/177055389.db2.gz AOPBCEAPXZHGNW-SECBINFHSA-N 1 2 239.323 0.773 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCCCO ZINC000361848405 177055390 /nfs/dbraw/zinc/05/53/90/177055390.db2.gz AOPBCEAPXZHGNW-SECBINFHSA-N 1 2 239.323 0.773 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329948792 177055464 /nfs/dbraw/zinc/05/54/64/177055464.db2.gz KZAHTHWAPFAQKT-SECBINFHSA-N 1 2 237.307 0.384 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCOCC2(CC2)C1 ZINC000329948792 177055466 /nfs/dbraw/zinc/05/54/66/177055466.db2.gz KZAHTHWAPFAQKT-SECBINFHSA-N 1 2 237.307 0.384 20 0 BCADLO C[C@H]1C(=O)NCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283158954 177058718 /nfs/dbraw/zinc/05/87/18/177058718.db2.gz OWJZLQYZFONYPJ-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(CO)cc1 ZINC000182739453 177059307 /nfs/dbraw/zinc/05/93/07/177059307.db2.gz BFPRQBKRRRLNLL-JTQLQIEISA-N 1 2 234.299 0.499 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182739453 177059309 /nfs/dbraw/zinc/05/93/09/177059309.db2.gz BFPRQBKRRRLNLL-JTQLQIEISA-N 1 2 234.299 0.499 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000104690794 177059352 /nfs/dbraw/zinc/05/93/52/177059352.db2.gz ANPILXWWAKXSSK-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000104690794 177059355 /nfs/dbraw/zinc/05/93/55/177059355.db2.gz ANPILXWWAKXSSK-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245879965 177059682 /nfs/dbraw/zinc/05/96/82/177059682.db2.gz ANPILXWWAKXSSK-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245879965 177059683 /nfs/dbraw/zinc/05/96/83/177059683.db2.gz ANPILXWWAKXSSK-AAEUAGOBSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290569272 177059804 /nfs/dbraw/zinc/05/98/04/177059804.db2.gz YHDNUPLKYAGUBB-QMMMGPOBSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000290569272 177059807 /nfs/dbraw/zinc/05/98/07/177059807.db2.gz YHDNUPLKYAGUBB-QMMMGPOBSA-N 1 2 245.286 0.278 20 0 BCADLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000076303405 177109368 /nfs/dbraw/zinc/10/93/68/177109368.db2.gz LVDLAAJRIWTOKQ-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO C[C@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000076303405 177109369 /nfs/dbraw/zinc/10/93/69/177109369.db2.gz LVDLAAJRIWTOKQ-ZETCQYMHSA-N 1 2 226.305 0.961 20 0 BCADLO C[C@H]1CCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302869975 177112447 /nfs/dbraw/zinc/11/24/47/177112447.db2.gz BFPDLWNRJYZKKN-ZETCQYMHSA-N 1 2 232.291 0.934 20 0 BCADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000330256966 177168789 /nfs/dbraw/zinc/16/87/89/177168789.db2.gz LBZMXZUSUJKTME-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000330256966 177168791 /nfs/dbraw/zinc/16/87/91/177168791.db2.gz LBZMXZUSUJKTME-ZETCQYMHSA-N 1 2 228.321 0.838 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccon1 ZINC000193656881 177173689 /nfs/dbraw/zinc/17/36/89/177173689.db2.gz UWVRRZTUSSHGEJ-IONNQARKSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cocn1 ZINC000336758920 177173701 /nfs/dbraw/zinc/17/37/01/177173701.db2.gz KXWGLKBDQJLGIX-IONNQARKSA-N 1 2 209.249 0.289 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1cnn(C)n1 ZINC000367656183 177177462 /nfs/dbraw/zinc/17/74/62/177177462.db2.gz AZZMHFUKGZISRT-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1cnn(C)n1 ZINC000367656183 177177464 /nfs/dbraw/zinc/17/74/64/177177464.db2.gz AZZMHFUKGZISRT-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2nnnn2C)O1 ZINC000336668698 177189903 /nfs/dbraw/zinc/18/99/03/177189903.db2.gz QEOQZXPOSKZSIZ-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)O1 ZINC000336668698 177189904 /nfs/dbraw/zinc/18/99/04/177189904.db2.gz QEOQZXPOSKZSIZ-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO C[C@H]1CC[S@@](=O)CCN1Cc1c[nH+]c[nH]1 ZINC000361329892 177208018 /nfs/dbraw/zinc/20/80/18/177208018.db2.gz FFOHBCWYPTWWNP-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CC[S@@](=O)CCN1Cc1c[nH]c[nH+]1 ZINC000361329892 177208020 /nfs/dbraw/zinc/20/80/20/177208020.db2.gz FFOHBCWYPTWWNP-BJOHPYRUSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000351857819 177215381 /nfs/dbraw/zinc/21/53/81/177215381.db2.gz UYAKURNWCGICIY-VHSXEESVSA-N 1 2 223.276 0.112 20 0 BCADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCC1=O ZINC000329368373 177215501 /nfs/dbraw/zinc/21/55/01/177215501.db2.gz HVCSSTIRFZMHQY-VIFPVBQESA-N 1 2 235.287 0.780 20 0 BCADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CO ZINC000360837642 177215888 /nfs/dbraw/zinc/21/58/88/177215888.db2.gz QGYJTIJEDHTLBW-WDEREUQCSA-N 1 2 237.303 0.360 20 0 BCADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C2CC2)O1 ZINC000279529481 177218810 /nfs/dbraw/zinc/21/88/10/177218810.db2.gz ADWSGVWWPPQELU-CMPLNLGQSA-N 1 2 249.314 0.909 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000357804028 177224777 /nfs/dbraw/zinc/22/47/77/177224777.db2.gz LZGBVSNRUGUTRQ-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000371482865 177225154 /nfs/dbraw/zinc/22/51/54/177225154.db2.gz LCCXXIKDHUNUMG-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CC[NH2+]1 ZINC000275541603 177227200 /nfs/dbraw/zinc/22/72/00/177227200.db2.gz QFWCDEZHDVJXOR-QMMMGPOBSA-N 1 2 245.286 0.392 20 0 BCADLO C[C@H]1CN(C(=O)c2[nH]nc3ccccc32)CC[NH2+]1 ZINC000088059137 177231850 /nfs/dbraw/zinc/23/18/50/177231850.db2.gz HTBHGXYIHUUJFY-VIFPVBQESA-N 1 2 244.298 0.997 20 0 BCADLO C[C@H]1C[N@H+](CC2CCS(=O)(=O)CC2)CCO1 ZINC000336693460 177246262 /nfs/dbraw/zinc/24/62/62/177246262.db2.gz CXTWDTFHSIQBDQ-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)CCO1 ZINC000336693460 177246264 /nfs/dbraw/zinc/24/62/64/177246264.db2.gz CXTWDTFHSIQBDQ-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1C[N@H+](CCc2cscn2)CC(=O)N1C ZINC000295321345 177255962 /nfs/dbraw/zinc/25/59/62/177255962.db2.gz LTCTXWZVYPXWLO-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1C[N@@H+](CCc2cscn2)CC(=O)N1C ZINC000295321345 177255963 /nfs/dbraw/zinc/25/59/63/177255963.db2.gz LTCTXWZVYPXWLO-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CC(=O)N1 ZINC000294972857 177257338 /nfs/dbraw/zinc/25/73/38/177257338.db2.gz JEKQNDCPAFYDCI-UWVGGRQHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CC(=O)N1 ZINC000294972857 177257339 /nfs/dbraw/zinc/25/73/39/177257339.db2.gz JEKQNDCPAFYDCI-UWVGGRQHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)S1(=O)=O ZINC000289508038 177260873 /nfs/dbraw/zinc/26/08/73/177260873.db2.gz LNPRCBVQKCSHAK-IUCAKERBSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)S1(=O)=O ZINC000289508038 177260875 /nfs/dbraw/zinc/26/08/75/177260875.db2.gz LNPRCBVQKCSHAK-IUCAKERBSA-N 1 2 243.332 0.417 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccnc2)CC(=O)N1C ZINC000282388263 177265839 /nfs/dbraw/zinc/26/58/39/177265839.db2.gz XHBMTHXOGRYCOM-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccnc2)CC(=O)N1C ZINC000282388263 177265841 /nfs/dbraw/zinc/26/58/41/177265841.db2.gz XHBMTHXOGRYCOM-JTQLQIEISA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1C[NH+](Cc2cnnn2C)C[C@H](C)O1 ZINC000127046191 177269371 /nfs/dbraw/zinc/26/93/71/177269371.db2.gz ISAJOPOSMAPHPO-IUCAKERBSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)S1=O ZINC000336627978 177269443 /nfs/dbraw/zinc/26/94/43/177269443.db2.gz YACJEWJAMFVUER-IUCAKERBSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)S1=O ZINC000336627978 177269444 /nfs/dbraw/zinc/26/94/44/177269444.db2.gz YACJEWJAMFVUER-IUCAKERBSA-N 1 2 227.333 0.751 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@@]2(CCOC2)O1 ZINC000280284596 177269863 /nfs/dbraw/zinc/26/98/63/177269863.db2.gz NSAQMESZNIXFHK-WCQYABFASA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@@]2(CCOC2)O1 ZINC000280284596 177269865 /nfs/dbraw/zinc/26/98/65/177269865.db2.gz NSAQMESZNIXFHK-WCQYABFASA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)C[C@H](C)[N@H+]1C ZINC000336291337 177273155 /nfs/dbraw/zinc/27/31/55/177273155.db2.gz GIDADYWJCYZJHY-AOOOYVTPSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)C[C@H](C)[N@@H+]1C ZINC000336291337 177273156 /nfs/dbraw/zinc/27/31/56/177273156.db2.gz GIDADYWJCYZJHY-AOOOYVTPSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@H](c1ccccn1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296113427 177275664 /nfs/dbraw/zinc/27/56/64/177275664.db2.gz HDCXPRZXICHEHJ-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H](c1ccccn1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296113427 177275666 /nfs/dbraw/zinc/27/56/66/177275666.db2.gz HDCXPRZXICHEHJ-VHSXEESVSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC000337885509 177279457 /nfs/dbraw/zinc/27/94/57/177279457.db2.gz XPQNQLDFLBPMTF-CBAPKCEASA-N 1 2 233.275 0.180 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2cn(C)nn2)C1 ZINC000336694477 177288945 /nfs/dbraw/zinc/28/89/45/177288945.db2.gz DJGDOBJNJFAHPE-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336694477 177288946 /nfs/dbraw/zinc/28/89/46/177288946.db2.gz DJGDOBJNJFAHPE-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCN(C)CC(F)F ZINC000337145189 177291070 /nfs/dbraw/zinc/29/10/70/177291070.db2.gz XDDISDNCQZZVNG-VIFPVBQESA-N 1 2 222.279 0.904 20 0 BCADLO C[C@H]1COCC[N@H+]1CCN(C)CC(F)F ZINC000337145189 177291073 /nfs/dbraw/zinc/29/10/73/177291073.db2.gz XDDISDNCQZZVNG-VIFPVBQESA-N 1 2 222.279 0.904 20 0 BCADLO C[C@H]1COCC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000336710619 177291107 /nfs/dbraw/zinc/29/11/07/177291107.db2.gz ZUQQOPQAGBYDTM-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COCC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000336710619 177291109 /nfs/dbraw/zinc/29/11/09/177291109.db2.gz ZUQQOPQAGBYDTM-JTQLQIEISA-N 1 2 247.360 0.532 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccco1 ZINC000330621652 177291976 /nfs/dbraw/zinc/29/19/76/177291976.db2.gz MMHFNTOYIHJZFL-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccco1 ZINC000330621652 177291978 /nfs/dbraw/zinc/29/19/78/177291978.db2.gz MMHFNTOYIHJZFL-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO C[C@H]1COCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050813580 177292709 /nfs/dbraw/zinc/29/27/09/177292709.db2.gz FWPUXPHCKITXHN-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1COCC[N@H+]1Cc1ccc(N)nc1 ZINC000050813580 177292710 /nfs/dbraw/zinc/29/27/10/177292710.db2.gz FWPUXPHCKITXHN-VIFPVBQESA-N 1 2 207.277 0.885 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332645054 177336979 /nfs/dbraw/zinc/33/69/79/177336979.db2.gz JVQLMQQTKBDKSF-NTSWFWBYSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000332645054 177336980 /nfs/dbraw/zinc/33/69/80/177336980.db2.gz JVQLMQQTKBDKSF-NTSWFWBYSA-N 1 2 233.218 0.962 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000367900217 177340369 /nfs/dbraw/zinc/34/03/69/177340369.db2.gz VMKNQPMJINBULT-WPRPVWTQSA-N 1 2 205.261 0.881 20 0 BCADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1nccc(N)n1 ZINC000309244154 177372406 /nfs/dbraw/zinc/37/24/06/177372406.db2.gz BOIHQTPQXVEXRW-DTWKUNHWSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1nccc(N)n1 ZINC000309244154 177372408 /nfs/dbraw/zinc/37/24/08/177372408.db2.gz BOIHQTPQXVEXRW-DTWKUNHWSA-N 1 2 222.292 0.404 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000340934579 177373743 /nfs/dbraw/zinc/37/37/43/177373743.db2.gz WDFQKUSGRJBVEW-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)NCC(F)(F)F ZINC000340934579 177373745 /nfs/dbraw/zinc/37/37/45/177373745.db2.gz WDFQKUSGRJBVEW-BQBZGAKWSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1CCF ZINC000332673221 177373982 /nfs/dbraw/zinc/37/39/82/177373982.db2.gz RKHXRYWASFTGLF-IUCAKERBSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ncnn1CCF ZINC000332673221 177373983 /nfs/dbraw/zinc/37/39/83/177373983.db2.gz RKHXRYWASFTGLF-IUCAKERBSA-N 1 2 228.271 0.203 20 0 BCADLO C[C@H]1C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000043311517 177380360 /nfs/dbraw/zinc/38/03/60/177380360.db2.gz HLQNBQWDYXHZJP-UWVGGRQHSA-N 1 2 222.292 0.838 20 0 BCADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ncccc1O ZINC000262233217 177399514 /nfs/dbraw/zinc/39/95/14/177399514.db2.gz KIPJGIONSUJUIJ-APPZFPTMSA-N 1 2 237.259 0.103 20 0 BCADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000132998077 177454768 /nfs/dbraw/zinc/45/47/68/177454768.db2.gz HMEOGSHRZSIFBK-GFCCVEGCSA-N 1 2 237.303 0.959 20 0 BCADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCO1 ZINC000087230616 177455279 /nfs/dbraw/zinc/45/52/79/177455279.db2.gz LTZGGXCDFLRVGU-SNVBAGLBSA-N 1 2 209.249 0.595 20 0 BCADLO C[C@]1(C(N)=O)CCN(c2cccc[nH+]2)C1 ZINC000280354960 177458353 /nfs/dbraw/zinc/45/83/53/177458353.db2.gz WYIXENUGIHMVKI-NSHDSACASA-N 1 2 205.261 0.783 20 0 BCADLO CO[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CC1 ZINC000400169405 224659543 /nfs/dbraw/zinc/65/95/43/224659543.db2.gz KONFUPGPJDYRFH-WPRPVWTQSA-N 1 2 224.308 0.891 20 0 BCADLO CO[C@H]1CN(c2cc(C)[nH+]cn2)C[C@@H]1OC ZINC000487046810 225284073 /nfs/dbraw/zinc/28/40/73/225284073.db2.gz NLBWEVOVHCJZCP-UWVGGRQHSA-N 1 2 223.276 0.635 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)Cc1c[nH+]cn1C ZINC000673039192 487644307 /nfs/dbraw/zinc/64/43/07/487644307.db2.gz AHKNSTQVLIJVPX-LLVKDONJSA-N 1 2 237.303 0.192 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncnn1CC(F)F ZINC000488099213 225348591 /nfs/dbraw/zinc/34/85/91/225348591.db2.gz DFCNUJKDUZFMIN-YUMQZZPRSA-N 1 2 246.261 0.498 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ncnn1CC(F)F ZINC000488099213 225348596 /nfs/dbraw/zinc/34/85/96/225348596.db2.gz DFCNUJKDUZFMIN-YUMQZZPRSA-N 1 2 246.261 0.498 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678044549 487644879 /nfs/dbraw/zinc/64/48/79/487644879.db2.gz PUJAKOPMJMICSH-HTQZYQBOSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678044549 487644882 /nfs/dbraw/zinc/64/48/82/487644882.db2.gz PUJAKOPMJMICSH-HTQZYQBOSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678044553 487644699 /nfs/dbraw/zinc/64/46/99/487644699.db2.gz PUJAKOPMJMICSH-YUMQZZPRSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@H](CO)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678044553 487644701 /nfs/dbraw/zinc/64/47/01/487644701.db2.gz PUJAKOPMJMICSH-YUMQZZPRSA-N 1 2 227.226 0.878 20 0 BCADLO C[C@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759781 226047439 /nfs/dbraw/zinc/04/74/39/226047439.db2.gz CRDHGFQUVFOFHY-VSQXVHSFSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCOCC1 ZINC000492770979 226050684 /nfs/dbraw/zinc/05/06/84/226050684.db2.gz ROKRSKNMJCGWQE-NSCUHMNNSA-N 1 2 221.260 0.672 20 0 BCADLO C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC000492775200 226051057 /nfs/dbraw/zinc/05/10/57/226051057.db2.gz LCRUFBVYCMFVBK-QKMQQOOLSA-N 1 2 237.303 0.946 20 0 BCADLO COC[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492801818 226054171 /nfs/dbraw/zinc/05/41/71/226054171.db2.gz CJOOULBTBHTNDZ-ZMWSMAPVSA-N 1 2 221.260 0.670 20 0 BCADLO Cn1cnnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814058 226058865 /nfs/dbraw/zinc/05/88/65/226058865.db2.gz RYIRTPSKQPAXJX-IHWYPQMZSA-N 1 2 218.220 0.190 20 0 BCADLO Cn1nccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823047 226060955 /nfs/dbraw/zinc/06/09/55/226060955.db2.gz LSUVSWMMMAJJCX-IHWYPQMZSA-N 1 2 231.259 0.473 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](O)C1 ZINC000492828912 226061304 /nfs/dbraw/zinc/06/13/04/226061304.db2.gz ZPSZTEJKZCYIMO-VWCDRPFISA-N 1 2 207.233 0.016 20 0 BCADLO Cn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492825305 226061745 /nfs/dbraw/zinc/06/17/45/226061745.db2.gz SBKQPNSTWADMTD-NSCUHMNNSA-N 1 2 217.232 0.795 20 0 BCADLO CO[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871270 226071470 /nfs/dbraw/zinc/07/14/70/226071470.db2.gz XCDXFLRQQYDVCU-VEMNSZJBSA-N 1 2 209.249 0.574 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cnns1 ZINC000492897537 226078747 /nfs/dbraw/zinc/07/87/47/226078747.db2.gz JZIWFWOPELTCFK-OWOJBTEDSA-N 1 2 221.245 0.913 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000492900201 226080007 /nfs/dbraw/zinc/08/00/07/226080007.db2.gz NKIXVAQGNPBDGC-SHLGALIJSA-N 1 2 249.270 0.049 20 0 BCADLO NC(=O)c1cc(NC(=O)C=Cc2c[nH]c[nH+]2)c[nH]1 ZINC000492904104 226080698 /nfs/dbraw/zinc/08/06/98/226080698.db2.gz VQUFVTALRZTKOY-UPHRSURJSA-N 1 2 245.242 0.489 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(=O)[nH]c1 ZINC000492955630 226090836 /nfs/dbraw/zinc/09/08/36/226090836.db2.gz QWDLGEGBLMPKQG-DUXPYHPUSA-N 1 2 244.254 0.840 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](O)CC1 ZINC000493324243 226185774 /nfs/dbraw/zinc/18/57/74/226185774.db2.gz QVSVNFLMYNFERZ-FSIBCCDJSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCO1 ZINC000493103935 226127565 /nfs/dbraw/zinc/12/75/65/226127565.db2.gz ISLGQNVEBLNRJX-CDAZIORVSA-N 1 2 221.260 0.718 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(CO)CC1 ZINC000493148659 226140044 /nfs/dbraw/zinc/14/00/44/226140044.db2.gz HSYNZXQWCPMLSA-UPHRSURJSA-N 1 2 207.233 0.064 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOCC1CC1 ZINC000493195850 226152664 /nfs/dbraw/zinc/15/26/64/226152664.db2.gz JBZITXBMZXJVFL-ONEGZZNKSA-N 1 2 235.287 0.966 20 0 BCADLO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200863 226278546 /nfs/dbraw/zinc/27/85/46/226278546.db2.gz ILUCKFILRPNKOS-GZMMTYOYSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000495200863 226278547 /nfs/dbraw/zinc/27/85/47/226278547.db2.gz ILUCKFILRPNKOS-GZMMTYOYSA-N 1 2 240.307 0.493 20 0 BCADLO Cc1nc(N2CCC3(COC(=O)N3)CC2)cc[nH+]1 ZINC000495296750 226280529 /nfs/dbraw/zinc/28/05/29/226280529.db2.gz KBVSWUNYNYTYAJ-UHFFFAOYSA-N 1 2 248.286 0.864 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC2(C1)CCOC2 ZINC000493447643 226217844 /nfs/dbraw/zinc/21/78/44/226217844.db2.gz CTTIVEPJEWWNCA-OWOJBTEDSA-N 1 2 233.271 0.672 20 0 BCADLO NC(=O)CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493446919 226218736 /nfs/dbraw/zinc/21/87/36/226218736.db2.gz FUWGOVIFHVNAGE-NSCUHMNNSA-N 1 2 248.286 0.337 20 0 BCADLO NC(Cc1ccccc1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000495719906 226286968 /nfs/dbraw/zinc/28/69/68/226286968.db2.gz UEWIKBQZVLHXTI-JTQLQIEISA-N 1 2 249.270 0.836 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(=O)NCC1CC1 ZINC000493520380 226238622 /nfs/dbraw/zinc/23/86/22/226238622.db2.gz MGAVUNUBTGBSTA-ONEGZZNKSA-N 1 2 248.286 0.065 20 0 BCADLO COCC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493555991 226243486 /nfs/dbraw/zinc/24/34/86/226243486.db2.gz NOXZWISOPUBBGG-SNAWJCMRSA-N 1 2 223.276 0.964 20 0 BCADLO NC(=O)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493589201 226244824 /nfs/dbraw/zinc/24/48/24/226244824.db2.gz SZJUXCAHKAFDRY-OWOJBTEDSA-N 1 2 224.220 0.048 20 0 BCADLO C[C@H]1OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493623493 226246566 /nfs/dbraw/zinc/24/65/66/226246566.db2.gz GTTKFRYESDBAIY-XPDWMRMNSA-N 1 2 221.260 0.717 20 0 BCADLO Cn1ccc(CCNC(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000493626373 226246746 /nfs/dbraw/zinc/24/67/46/226246746.db2.gz VLZPJDCRQRURQW-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO CSCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493672572 226248790 /nfs/dbraw/zinc/24/87/90/226248790.db2.gz HSKGTQADUCFULP-NSCUHMNNSA-N 1 2 227.289 0.834 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H](CO)CC(F)F ZINC000493676978 226248863 /nfs/dbraw/zinc/24/88/63/226248863.db2.gz UEPNWGXWPODDOH-QOHHWTFISA-N 1 2 245.229 0.555 20 0 BCADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)N(C)C ZINC000493706395 226250286 /nfs/dbraw/zinc/25/02/86/226250286.db2.gz LZDXEKJNGQGCQN-ZJELKQJVSA-N 1 2 236.275 0.016 20 0 BCADLO COC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493753521 226252571 /nfs/dbraw/zinc/25/25/71/226252571.db2.gz MAYUORWYLDKDMJ-YEZKRMTDSA-N 1 2 235.287 0.964 20 0 BCADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ncon1 ZINC000493775279 226253491 /nfs/dbraw/zinc/25/34/91/226253491.db2.gz HPMLYCOFZGVUCX-AIYRYJHASA-N 1 2 233.231 0.683 20 0 BCADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(=O)N1C ZINC000493834188 226256495 /nfs/dbraw/zinc/25/64/95/226256495.db2.gz FRRZZUPPIWVQDO-TYRPZCRBSA-N 1 2 248.286 0.112 20 0 BCADLO COC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494221213 226262333 /nfs/dbraw/zinc/26/23/33/226262333.db2.gz WBHYPAUEJPQNRP-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494221213 226262334 /nfs/dbraw/zinc/26/23/34/226262334.db2.gz WBHYPAUEJPQNRP-DTWKUNHWSA-N 1 2 223.263 0.971 20 0 BCADLO OC[C@@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000494983553 226274148 /nfs/dbraw/zinc/27/41/48/226274148.db2.gz BSNDDUWJSYLRMU-FYDYADQUSA-N 1 2 234.299 0.788 20 0 BCADLO OC[C@@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000494983553 226274149 /nfs/dbraw/zinc/27/41/49/226274149.db2.gz BSNDDUWJSYLRMU-FYDYADQUSA-N 1 2 234.299 0.788 20 0 BCADLO COC[C@H](C)C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000496511655 226306898 /nfs/dbraw/zinc/30/68/98/226306898.db2.gz ICZLXBBZVFTSSG-SECBINFHSA-N 1 2 228.292 0.405 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)[C@@H](C)CO1 ZINC000496580112 226308548 /nfs/dbraw/zinc/30/85/48/226308548.db2.gz GBMCIGYCXKGSJI-AEJSXWLSSA-N 1 2 228.292 0.546 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)[C@@H](C)CO1 ZINC000496580112 226308549 /nfs/dbraw/zinc/30/85/49/226308549.db2.gz GBMCIGYCXKGSJI-AEJSXWLSSA-N 1 2 228.292 0.546 20 0 BCADLO COC1(CO)CC[NH+](Cc2nccn2C)CC1 ZINC000401716020 226361600 /nfs/dbraw/zinc/36/16/00/226361600.db2.gz AZDBNOBEHSBNGC-UHFFFAOYSA-N 1 2 239.319 0.393 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)n1 ZINC000495794135 226289293 /nfs/dbraw/zinc/28/92/93/226289293.db2.gz LJJXAFQWHSKLDG-HTRCEHHLSA-N 1 2 240.263 0.479 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)n1 ZINC000495794138 226289361 /nfs/dbraw/zinc/28/93/61/226289361.db2.gz LJJXAFQWHSKLDG-XPUUQOCRSA-N 1 2 240.263 0.479 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)OC1CCOCC1 ZINC000495846860 226290425 /nfs/dbraw/zinc/29/04/25/226290425.db2.gz AJTPNCSURSKQQO-UHFFFAOYSA-N 1 2 239.275 0.825 20 0 BCADLO Cc1noc(C[N@H+](C)CCn2cncn2)n1 ZINC000680835262 487655528 /nfs/dbraw/zinc/65/55/28/487655528.db2.gz JYLHXFCADGNOGF-UHFFFAOYSA-N 1 2 222.252 0.102 20 0 BCADLO Cc1noc(C[N@@H+](C)CCn2cncn2)n1 ZINC000680835262 487655530 /nfs/dbraw/zinc/65/55/30/487655530.db2.gz JYLHXFCADGNOGF-UHFFFAOYSA-N 1 2 222.252 0.102 20 0 BCADLO Cc1cc(C[N@H+](C)[C@]2(CO)CCOC2)nn1C ZINC000680865681 487659997 /nfs/dbraw/zinc/65/99/97/487659997.db2.gz RGPGOBSUKIHAPY-LBPRGKRZSA-N 1 2 239.319 0.312 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)nn1C ZINC000680865681 487660000 /nfs/dbraw/zinc/66/00/00/487660000.db2.gz RGPGOBSUKIHAPY-LBPRGKRZSA-N 1 2 239.319 0.312 20 0 BCADLO C[C@H]1C[C@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895397112 583664462 /nfs/dbraw/zinc/66/44/62/583664462.db2.gz DNNRWXRNTFQYNV-YUMQZZPRSA-N 1 2 203.307 0.371 20 0 BCADLO C[C@H]1C[C@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895397112 583664465 /nfs/dbraw/zinc/66/44/65/583664465.db2.gz DNNRWXRNTFQYNV-YUMQZZPRSA-N 1 2 203.307 0.371 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)s1 ZINC000680886478 487660191 /nfs/dbraw/zinc/66/01/91/487660191.db2.gz ORGQBFMXHSOOHJ-YUMQZZPRSA-N 1 2 243.332 0.028 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2CO)s1 ZINC000680886478 487660197 /nfs/dbraw/zinc/66/01/97/487660197.db2.gz ORGQBFMXHSOOHJ-YUMQZZPRSA-N 1 2 243.332 0.028 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000557420188 322937078 /nfs/dbraw/zinc/93/70/78/322937078.db2.gz ADDBIJGZQRUIDW-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO NC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023854 487664460 /nfs/dbraw/zinc/66/44/60/487664460.db2.gz PGSQTNSWVLTDHD-UHFFFAOYSA-N 1 2 230.271 0.447 20 0 BCADLO Cc1nnc([C@H](C)[NH2+]CC(=O)NCC(C)C)o1 ZINC000557463683 322937670 /nfs/dbraw/zinc/93/76/70/322937670.db2.gz DLTFRZWQWGPRRW-QMMMGPOBSA-N 1 2 240.307 0.801 20 0 BCADLO CCc1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000675123627 487671830 /nfs/dbraw/zinc/67/18/30/487671830.db2.gz DAVLUJABOJSIDU-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000675123627 487671834 /nfs/dbraw/zinc/67/18/34/487671834.db2.gz DAVLUJABOJSIDU-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CC(C)(CNC(=O)CCCF)[NH+]1CCOCC1 ZINC000665338560 487676148 /nfs/dbraw/zinc/67/61/48/487676148.db2.gz JDLYWFRHJIIAPD-UHFFFAOYSA-N 1 2 246.326 0.963 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CC(N)=O)[nH+]1 ZINC000433797037 487684450 /nfs/dbraw/zinc/68/44/50/487684450.db2.gz RVENQPNCGSHBAC-LURJTMIESA-N 1 2 233.275 0.942 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@@H](C)C1=O ZINC000661544569 487685273 /nfs/dbraw/zinc/68/52/73/487685273.db2.gz GMTKLGLKRATEFN-GMTAPVOTSA-N 1 2 238.331 0.764 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000668400588 487693671 /nfs/dbraw/zinc/69/36/71/487693671.db2.gz BQGZQNQFXBFSMH-GMTAPVOTSA-N 1 2 249.314 0.771 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)[C@H]1CCCOC1 ZINC000671704320 487697494 /nfs/dbraw/zinc/69/74/94/487697494.db2.gz KGXABKOMTJFWHY-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)[C@H]1CCCOC1 ZINC000671704320 487697500 /nfs/dbraw/zinc/69/75/00/487697500.db2.gz KGXABKOMTJFWHY-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[C@@H]1C[N@H+](CCn2ccccc2=O)CC(=O)N1C ZINC000669700467 487696983 /nfs/dbraw/zinc/69/69/83/487696983.db2.gz OODIJHLDEXYVFB-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2ccccc2=O)CC(=O)N1C ZINC000669700467 487696989 /nfs/dbraw/zinc/69/69/89/487696989.db2.gz OODIJHLDEXYVFB-LLVKDONJSA-N 1 2 249.314 0.011 20 0 BCADLO Cc1ccnc(NC(=O)C[N@H+](C)CCO)c1 ZINC000674004845 487698169 /nfs/dbraw/zinc/69/81/69/487698169.db2.gz AFDPTAYNGMEBJJ-UHFFFAOYSA-N 1 2 223.276 0.253 20 0 BCADLO Cc1ccnc(NC(=O)C[N@@H+](C)CCO)c1 ZINC000674004845 487698175 /nfs/dbraw/zinc/69/81/75/487698175.db2.gz AFDPTAYNGMEBJJ-UHFFFAOYSA-N 1 2 223.276 0.253 20 0 BCADLO CCn1ncc(C[NH2+]Cc2ccc(OC)nc2)n1 ZINC000527733277 262878107 /nfs/dbraw/zinc/87/81/07/262878107.db2.gz CBPQGZUEUGAZIA-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NC1CC=CC1 ZINC000675312376 487700427 /nfs/dbraw/zinc/70/04/27/487700427.db2.gz STBNNZVQWNDGKE-UHFFFAOYSA-N 1 2 220.276 0.938 20 0 BCADLO Cn1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1=O ZINC000669703767 487700755 /nfs/dbraw/zinc/70/07/55/487700755.db2.gz OVCVTTUICBEZAR-UHFFFAOYSA-N 1 2 249.314 0.096 20 0 BCADLO Cn1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1=O ZINC000669703767 487700759 /nfs/dbraw/zinc/70/07/59/487700759.db2.gz OVCVTTUICBEZAR-UHFFFAOYSA-N 1 2 249.314 0.096 20 0 BCADLO Cc1c[nH]nc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000669593814 487702860 /nfs/dbraw/zinc/70/28/60/487702860.db2.gz RSBDRKLBVFTDBA-UHFFFAOYSA-N 1 2 233.275 0.724 20 0 BCADLO CCc1nnc(C[N@H+](C)CCOCCO)s1 ZINC000669707389 487709745 /nfs/dbraw/zinc/70/97/45/487709745.db2.gz SCKUBWWQYKXHET-UHFFFAOYSA-N 1 2 245.348 0.541 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCOCCO)s1 ZINC000669707389 487709749 /nfs/dbraw/zinc/70/97/49/487709749.db2.gz SCKUBWWQYKXHET-UHFFFAOYSA-N 1 2 245.348 0.541 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902993784 584711322 /nfs/dbraw/zinc/71/13/22/584711322.db2.gz XZVQBQKGCMVTIG-SECBINFHSA-N 1 2 202.273 0.947 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902993784 584711324 /nfs/dbraw/zinc/71/13/24/584711324.db2.gz XZVQBQKGCMVTIG-SECBINFHSA-N 1 2 202.273 0.947 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOCCO ZINC000081578201 487727943 /nfs/dbraw/zinc/72/79/43/487727943.db2.gz UOHHMDONGYLLJP-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOCCO ZINC000081578201 487727947 /nfs/dbraw/zinc/72/79/47/487727947.db2.gz UOHHMDONGYLLJP-JTQLQIEISA-N 1 2 247.335 0.657 20 0 BCADLO CCN(CCOC)c1nc[nH+]c2c1OCCN2 ZINC000665694294 487733331 /nfs/dbraw/zinc/73/33/31/487733331.db2.gz PDIXMMSXAXXXPV-UHFFFAOYSA-N 1 2 238.291 0.754 20 0 BCADLO CCN(CCOC)c1[nH+]cnc2c1OCCN2 ZINC000665694294 487733336 /nfs/dbraw/zinc/73/33/36/487733336.db2.gz PDIXMMSXAXXXPV-UHFFFAOYSA-N 1 2 238.291 0.754 20 0 BCADLO c1nc(N2CCCOCC2)c2c([nH+]1)NCCO2 ZINC000665696005 487733260 /nfs/dbraw/zinc/73/32/60/487733260.db2.gz RWHAQLFPTHTLBE-UHFFFAOYSA-N 1 2 236.275 0.508 20 0 BCADLO c1nc2c(c(N3CCCOCC3)[nH+]1)OCCN2 ZINC000665696005 487733261 /nfs/dbraw/zinc/73/32/61/487733261.db2.gz RWHAQLFPTHTLBE-UHFFFAOYSA-N 1 2 236.275 0.508 20 0 BCADLO c1nc(N[C@H]2CCCOC2)c2c([nH+]1)NCCO2 ZINC000665700045 487733735 /nfs/dbraw/zinc/73/37/35/487733735.db2.gz NJGHOTHMYXJBMZ-QMMMGPOBSA-N 1 2 236.275 0.872 20 0 BCADLO c1nc2c(c(N[C@H]3CCCOC3)[nH+]1)OCCN2 ZINC000665700045 487733742 /nfs/dbraw/zinc/73/37/42/487733742.db2.gz NJGHOTHMYXJBMZ-QMMMGPOBSA-N 1 2 236.275 0.872 20 0 BCADLO c1cnnc(CNc2nc[nH+]c3c2OCCN3)c1 ZINC000665715141 487737296 /nfs/dbraw/zinc/73/72/96/487737296.db2.gz KNNJMQXGBDIDME-UHFFFAOYSA-N 1 2 244.258 0.683 20 0 BCADLO c1cnnc(CNc2[nH+]cnc3c2OCCN3)c1 ZINC000665715141 487737298 /nfs/dbraw/zinc/73/72/98/487737298.db2.gz KNNJMQXGBDIDME-UHFFFAOYSA-N 1 2 244.258 0.683 20 0 BCADLO CN(c1nc[nH+]c2c1OCCN2)C1CC(O)C1 ZINC000665711518 487738005 /nfs/dbraw/zinc/73/80/05/487738005.db2.gz GOYCKJDCJMEYDM-UHFFFAOYSA-N 1 2 236.275 0.240 20 0 BCADLO CN(c1[nH+]cnc2c1OCCN2)C1CC(O)C1 ZINC000665711518 487738012 /nfs/dbraw/zinc/73/80/12/487738012.db2.gz GOYCKJDCJMEYDM-UHFFFAOYSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1O ZINC000678152671 487740203 /nfs/dbraw/zinc/74/02/03/487740203.db2.gz OHKCPKJMGPJTDG-UWVGGRQHSA-N 1 2 245.286 0.479 20 0 BCADLO CCC[C@H](O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000676743946 487741936 /nfs/dbraw/zinc/74/19/36/487741936.db2.gz VENSDOTYVHZMOU-MNOVXSKESA-N 1 2 239.319 0.939 20 0 BCADLO O[C@H]1CCC[C@H](C[N@@H+]2CCn3nncc3C2)C1 ZINC000660922833 487749866 /nfs/dbraw/zinc/74/98/66/487749866.db2.gz IUGJKVBZQYOUNQ-JQWIXIFHSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCC[C@H](C[N@H+]2CCn3nncc3C2)C1 ZINC000660922833 487749869 /nfs/dbraw/zinc/74/98/69/487749869.db2.gz IUGJKVBZQYOUNQ-JQWIXIFHSA-N 1 2 236.319 0.645 20 0 BCADLO Nc1[nH+]cccc1CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924153 487754891 /nfs/dbraw/zinc/75/48/91/487754891.db2.gz LAGSYULVJWFRJO-OCAPTIKFSA-N 1 2 217.228 0.169 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCC(=O)NCC(C)C ZINC000747862979 585185157 /nfs/dbraw/zinc/18/51/57/585185157.db2.gz IVXFIPUWTSYIEF-QMMMGPOBSA-N 1 2 231.296 0.292 20 0 BCADLO C[C@H](CC(C)(C)O)NC(=O)Cn1cc[nH+]c1 ZINC000385117992 487765738 /nfs/dbraw/zinc/76/57/38/487765738.db2.gz FDFJGFGDOGIIAV-SECBINFHSA-N 1 2 225.292 0.549 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(O)CCC1 ZINC000681273650 487766616 /nfs/dbraw/zinc/76/66/16/487766616.db2.gz KUPKKCWPDJTHSO-UHFFFAOYSA-N 1 2 221.260 0.181 20 0 BCADLO CCN1CC[C@H]([N@H+](C)Cc2cnn(C)c2)C1=O ZINC000659816817 487766920 /nfs/dbraw/zinc/76/69/20/487766920.db2.gz FHOOJOGRXJJNHL-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO CCN1CC[C@H]([N@@H+](C)Cc2cnn(C)c2)C1=O ZINC000659816817 487766924 /nfs/dbraw/zinc/76/69/24/487766924.db2.gz FHOOJOGRXJJNHL-NSHDSACASA-N 1 2 236.319 0.473 20 0 BCADLO C[N@H+](Cc1cc2n(n1)CCC2)C(C)(C)C(N)=O ZINC000649619492 487774166 /nfs/dbraw/zinc/77/41/66/487774166.db2.gz PIUKZKYZQDEEPF-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO C[N@@H+](Cc1cc2n(n1)CCC2)C(C)(C)C(N)=O ZINC000649619492 487774169 /nfs/dbraw/zinc/77/41/69/487774169.db2.gz PIUKZKYZQDEEPF-UHFFFAOYSA-N 1 2 236.319 0.525 20 0 BCADLO c1[nH]nnc1SCC[NH+]1CCOCC1 ZINC000757745388 585345095 /nfs/dbraw/zinc/34/50/95/585345095.db2.gz BMYYULRRYFTGPO-UHFFFAOYSA-N 1 2 214.294 0.229 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000681326151 487776782 /nfs/dbraw/zinc/77/67/82/487776782.db2.gz VUNDTQUCPYBZCL-MRVPVSSYSA-N 1 2 235.287 0.298 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(O)CCC1 ZINC000681326151 487776789 /nfs/dbraw/zinc/77/67/89/487776789.db2.gz VUNDTQUCPYBZCL-MRVPVSSYSA-N 1 2 235.287 0.298 20 0 BCADLO COC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157945 487780751 /nfs/dbraw/zinc/78/07/51/487780751.db2.gz LDWDJRDJDKQZAK-SECBINFHSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666324366 487789472 /nfs/dbraw/zinc/78/94/72/487789472.db2.gz JGGIDZHKJUAUDL-ZETCQYMHSA-N 1 2 231.259 0.876 20 0 BCADLO O=C(Nc1cn[nH]c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666324366 487789477 /nfs/dbraw/zinc/78/94/77/487789477.db2.gz JGGIDZHKJUAUDL-ZETCQYMHSA-N 1 2 231.259 0.876 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)NCC1CCC1 ZINC000047618338 487794585 /nfs/dbraw/zinc/79/45/85/487794585.db2.gz ABIHGFVIFAYRSS-UHFFFAOYSA-N 1 2 241.335 0.418 20 0 BCADLO CC[C@H]1CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000292497223 487794755 /nfs/dbraw/zinc/79/47/55/487794755.db2.gz UHYIZIFOTRMUQW-LURJTMIESA-N 1 2 208.269 0.020 20 0 BCADLO CC[C@H]1CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000292497223 487794758 /nfs/dbraw/zinc/79/47/58/487794758.db2.gz UHYIZIFOTRMUQW-LURJTMIESA-N 1 2 208.269 0.020 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000776600681 585700844 /nfs/dbraw/zinc/70/08/44/585700844.db2.gz DNDKEGCQNWEURQ-ZJUUUORDSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000776600681 585700845 /nfs/dbraw/zinc/70/08/45/585700845.db2.gz DNDKEGCQNWEURQ-ZJUUUORDSA-N 1 2 215.293 0.641 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C[C@H]1F ZINC000778232744 585728872 /nfs/dbraw/zinc/72/88/72/585728872.db2.gz GVBSAVCXCQAJLW-HLTSFMKQSA-N 1 2 201.241 0.982 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C[C@H]1F ZINC000778232744 585728873 /nfs/dbraw/zinc/72/88/73/585728873.db2.gz GVBSAVCXCQAJLW-HLTSFMKQSA-N 1 2 201.241 0.982 20 0 BCADLO COCCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000676078612 487809705 /nfs/dbraw/zinc/80/97/05/487809705.db2.gz JHCUZTYVLFLBEB-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO COCCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000676078612 487809708 /nfs/dbraw/zinc/80/97/08/487809708.db2.gz JHCUZTYVLFLBEB-UHFFFAOYSA-N 1 2 239.323 0.719 20 0 BCADLO Cc1nc(N(C)C)nc(NCc2ccnn2C)[nH+]1 ZINC000676076748 487810640 /nfs/dbraw/zinc/81/06/40/487810640.db2.gz FTHRWSSCPOQUEI-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO Cc1nc(NCc2ccnn2C)nc(N(C)C)[nH+]1 ZINC000676076748 487810643 /nfs/dbraw/zinc/81/06/43/487810643.db2.gz FTHRWSSCPOQUEI-UHFFFAOYSA-N 1 2 247.306 0.592 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884664 487813180 /nfs/dbraw/zinc/81/31/80/487813180.db2.gz XYKHMOCQVAYTFI-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884664 487813184 /nfs/dbraw/zinc/81/31/84/487813184.db2.gz XYKHMOCQVAYTFI-PWSUYJOCSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884665 487812897 /nfs/dbraw/zinc/81/28/97/487812897.db2.gz XYKHMOCQVAYTFI-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884665 487812903 /nfs/dbraw/zinc/81/29/03/487812903.db2.gz XYKHMOCQVAYTFI-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@H](OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666449982 487813237 /nfs/dbraw/zinc/81/32/37/487813237.db2.gz KUYLKNWEMJGFMF-ZJUUUORDSA-N 1 2 241.291 0.049 20 0 BCADLO COCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681579741 487817848 /nfs/dbraw/zinc/81/78/48/487817848.db2.gz DXQGSYIBGXGYEI-SNVBAGLBSA-N 1 2 237.303 0.550 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681579739 487817498 /nfs/dbraw/zinc/81/74/98/487817498.db2.gz DXQGSYIBGXGYEI-JTQLQIEISA-N 1 2 237.303 0.550 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(=O)CC1 ZINC000681578689 487817725 /nfs/dbraw/zinc/81/77/25/487817725.db2.gz GRQJZSXSRWARGJ-JTQLQIEISA-N 1 2 247.298 0.637 20 0 BCADLO Cc1cc(N2CC[C@H](n3cncn3)C2)nc[nH+]1 ZINC000681597032 487819482 /nfs/dbraw/zinc/81/94/82/487819482.db2.gz LNTURPLBXCFFQK-JTQLQIEISA-N 1 2 230.275 0.828 20 0 BCADLO Cc1cc(NC(=O)NC/C=C/CO)cc[nH+]1 ZINC000666491736 487820586 /nfs/dbraw/zinc/82/05/86/487820586.db2.gz ACQDEPNBMCEHHF-NSCUHMNNSA-N 1 2 221.260 0.482 20 0 BCADLO OC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647956964 487820350 /nfs/dbraw/zinc/82/03/50/487820350.db2.gz WYVSSUWFNXHXJK-VIFPVBQESA-N 1 2 210.281 0.052 20 0 BCADLO OC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647956964 487820354 /nfs/dbraw/zinc/82/03/54/487820354.db2.gz WYVSSUWFNXHXJK-VIFPVBQESA-N 1 2 210.281 0.052 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+](CCF)CCO2 ZINC000791585715 585984966 /nfs/dbraw/zinc/98/49/66/585984966.db2.gz PDSSMLSJLZQUIU-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+](CCF)CCO2 ZINC000791585715 585984967 /nfs/dbraw/zinc/98/49/67/585984967.db2.gz PDSSMLSJLZQUIU-VHSXEESVSA-N 1 2 203.257 0.836 20 0 BCADLO CO[C@@H](C)C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000340899869 487830886 /nfs/dbraw/zinc/83/08/86/487830886.db2.gz QRHGMNQBYAIPKT-QMMMGPOBSA-N 1 2 228.296 0.756 20 0 BCADLO CO[C@@H](C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000340899869 487830890 /nfs/dbraw/zinc/83/08/90/487830890.db2.gz QRHGMNQBYAIPKT-QMMMGPOBSA-N 1 2 228.296 0.756 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000830212031 587540953 /nfs/dbraw/zinc/54/09/53/587540953.db2.gz JUVZOCWDOIGVOJ-JTQLQIEISA-N 1 2 218.272 0.830 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000830212031 587540954 /nfs/dbraw/zinc/54/09/54/587540954.db2.gz JUVZOCWDOIGVOJ-JTQLQIEISA-N 1 2 218.272 0.830 20 0 BCADLO Cc1cccn2cc(CC(=O)N[C@H](C)CO)[nH+]c12 ZINC000676363494 487841814 /nfs/dbraw/zinc/84/18/14/487841814.db2.gz VCFDXBZERGRSKU-SNVBAGLBSA-N 1 2 247.298 0.682 20 0 BCADLO C[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000676363158 487841918 /nfs/dbraw/zinc/84/19/18/487841918.db2.gz CNIXFVPCXSDMLK-VIFPVBQESA-N 1 2 211.265 0.160 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CCOC(F)F ZINC000851871088 588637019 /nfs/dbraw/zinc/63/70/19/588637019.db2.gz MRPDSNBDGLNXNJ-UHFFFAOYSA-N 1 2 245.291 0.592 20 0 BCADLO CC(C)[C@H](CO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791383 529021052 /nfs/dbraw/zinc/02/10/52/529021052.db2.gz AQMRQGXYGGNSQJ-FSIBCCDJSA-N 1 2 237.303 0.804 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878791284 590622906 /nfs/dbraw/zinc/62/29/06/590622906.db2.gz KVBRKPCADQXDRB-UHFFFAOYSA-N 1 2 218.684 0.835 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878791284 590622907 /nfs/dbraw/zinc/62/29/07/590622907.db2.gz KVBRKPCADQXDRB-UHFFFAOYSA-N 1 2 218.684 0.835 20 0 BCADLO CC[C@@H]1CC[N@H+]1CN1C[C@@H](C(=O)OC)OC1=O ZINC000496321098 529332815 /nfs/dbraw/zinc/33/28/15/529332815.db2.gz FQNKFMMSSXENMG-BDAKNGLRSA-N 1 2 242.275 0.422 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC000558646516 322952985 /nfs/dbraw/zinc/95/29/85/322952985.db2.gz WWMYZBAHYJEKBH-SNVBAGLBSA-N 1 2 223.276 0.378 20 0 BCADLO CN(C)c1ncccc1NC(=O)Cn1cc[nH+]c1 ZINC000558681376 322953583 /nfs/dbraw/zinc/95/35/83/322953583.db2.gz UGCYLGWHXJHSNQ-UHFFFAOYSA-N 1 2 245.286 0.983 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cn[nH]c1 ZINC000681755644 487856337 /nfs/dbraw/zinc/85/63/37/487856337.db2.gz XFTBSOCPLISTMA-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cn[nH]c1 ZINC000681755644 487856343 /nfs/dbraw/zinc/85/63/43/487856343.db2.gz XFTBSOCPLISTMA-LLVKDONJSA-N 1 2 236.319 0.852 20 0 BCADLO O=C(c1nc[nH]n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676526520 487864751 /nfs/dbraw/zinc/86/47/51/487864751.db2.gz CUHXIISEENPKAX-SECBINFHSA-N 1 2 246.274 0.479 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666725309 487865005 /nfs/dbraw/zinc/86/50/05/487865005.db2.gz GDIVURACMLRBPU-LURJTMIESA-N 1 2 232.247 0.271 20 0 BCADLO O=C(Nc1nc[nH]n1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666725309 487865010 /nfs/dbraw/zinc/86/50/10/487865010.db2.gz GDIVURACMLRBPU-LURJTMIESA-N 1 2 232.247 0.271 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CSC[C@@H]2C)[nH]1 ZINC000668510770 487869343 /nfs/dbraw/zinc/86/93/43/487869343.db2.gz ZRSNWFHXJKDLOH-YUMQZZPRSA-N 1 2 242.348 0.792 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000684411940 487876929 /nfs/dbraw/zinc/87/69/29/487876929.db2.gz DTLJKVJIQHKRBJ-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000684411940 487876935 /nfs/dbraw/zinc/87/69/35/487876935.db2.gz DTLJKVJIQHKRBJ-ZYHUDNBSSA-N 1 2 237.303 0.790 20 0 BCADLO CC(=O)NC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000676587955 487877790 /nfs/dbraw/zinc/87/77/90/487877790.db2.gz KYJJOKXXQNZTLM-UHFFFAOYSA-N 1 2 249.314 0.974 20 0 BCADLO OCc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000670273605 487896855 /nfs/dbraw/zinc/89/68/55/487896855.db2.gz KNILRKMKWVDXRT-LLVKDONJSA-N 1 2 229.251 0.678 20 0 BCADLO OCc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000670273605 487896859 /nfs/dbraw/zinc/89/68/59/487896859.db2.gz KNILRKMKWVDXRT-LLVKDONJSA-N 1 2 229.251 0.678 20 0 BCADLO FC1(C[NH+]2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000668536391 487899751 /nfs/dbraw/zinc/89/97/51/487899751.db2.gz WKMZCSWRNSHEHV-LLVKDONJSA-N 1 2 228.311 0.895 20 0 BCADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC=CCC1 ZINC000679321521 487899829 /nfs/dbraw/zinc/89/98/29/487899829.db2.gz GQOIAAPKFWPTMD-VIFPVBQESA-N 1 2 248.334 0.843 20 0 BCADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC=CCC1 ZINC000679321521 487899831 /nfs/dbraw/zinc/89/98/31/487899831.db2.gz GQOIAAPKFWPTMD-VIFPVBQESA-N 1 2 248.334 0.843 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000668536453 487900500 /nfs/dbraw/zinc/90/05/00/487900500.db2.gz UANZDBLRZOYTMF-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000676712433 487900796 /nfs/dbraw/zinc/90/07/96/487900796.db2.gz IYBALVBQTCWDJD-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000676712433 487900799 /nfs/dbraw/zinc/90/07/99/487900799.db2.gz IYBALVBQTCWDJD-SECBINFHSA-N 1 2 239.275 0.724 20 0 BCADLO Cn1cccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000668537535 487902988 /nfs/dbraw/zinc/90/29/88/487902988.db2.gz ODZZNMVNXJCNRX-CQSZACIVSA-N 1 2 249.358 0.932 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1C ZINC000302084768 487905541 /nfs/dbraw/zinc/90/55/41/487905541.db2.gz AJQPESLEVVSNOO-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCCNC1=O ZINC000682092759 487908228 /nfs/dbraw/zinc/90/82/28/487908228.db2.gz ABLJMORMXUFOMP-MRVPVSSYSA-N 1 2 208.265 0.120 20 0 BCADLO CCC[C@@H](O)CC(=O)NCc1[nH]cc[nH+]1 ZINC000676750751 487917754 /nfs/dbraw/zinc/91/77/54/487917754.db2.gz SSHOIMSYTGYJBA-MRVPVSSYSA-N 1 2 211.265 0.577 20 0 BCADLO CC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000669910337 487919437 /nfs/dbraw/zinc/91/94/37/487919437.db2.gz YFMWAOUNLUSGRS-SNVBAGLBSA-N 1 2 219.288 0.924 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(C)nc1 ZINC000653493171 487926420 /nfs/dbraw/zinc/92/64/20/487926420.db2.gz MQIJXBIQSIHLLL-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)nc1 ZINC000653493171 487926425 /nfs/dbraw/zinc/92/64/25/487926425.db2.gz MQIJXBIQSIHLLL-UHFFFAOYSA-N 1 2 207.277 0.568 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)CO1 ZINC000682209593 487927399 /nfs/dbraw/zinc/92/73/99/487927399.db2.gz LGVZXZOEGBDUDU-NXEZZACHSA-N 1 2 249.314 0.933 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792449 487928797 /nfs/dbraw/zinc/92/87/97/487928797.db2.gz IYAIFILWXOIXOL-LLVKDONJSA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676792449 487928800 /nfs/dbraw/zinc/92/88/00/487928800.db2.gz IYAIFILWXOIXOL-LLVKDONJSA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792449 487928803 /nfs/dbraw/zinc/92/88/03/487928803.db2.gz IYAIFILWXOIXOL-LLVKDONJSA-N 1 2 239.319 0.554 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792449 487928807 /nfs/dbraw/zinc/92/88/07/487928807.db2.gz IYAIFILWXOIXOL-LLVKDONJSA-N 1 2 239.319 0.554 20 0 BCADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CCCO1)C2 ZINC000676792158 487929528 /nfs/dbraw/zinc/92/95/28/487929528.db2.gz KCJZIBZTKKUGCI-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CCCO1)C2 ZINC000676792158 487929532 /nfs/dbraw/zinc/92/95/32/487929532.db2.gz KCJZIBZTKKUGCI-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CCCO1)C2 ZINC000676792158 487929538 /nfs/dbraw/zinc/92/95/38/487929538.db2.gz KCJZIBZTKKUGCI-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CCCO1)C2 ZINC000676792158 487929540 /nfs/dbraw/zinc/92/95/40/487929540.db2.gz KCJZIBZTKKUGCI-SNVBAGLBSA-N 1 2 207.277 0.947 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676796131 487932634 /nfs/dbraw/zinc/93/26/34/487932634.db2.gz YTMFGVGIJPBBMH-JTQLQIEISA-N 1 2 225.292 0.165 20 0 BCADLO c1ncn(CC[N@@H+]2CCc3cn[nH]c3C2)n1 ZINC000676797518 487932129 /nfs/dbraw/zinc/93/21/29/487932129.db2.gz LOYMBGNCIAFNNQ-UHFFFAOYSA-N 1 2 218.264 0.060 20 0 BCADLO c1ncn(CC[N@H+]2CCc3cn[nH]c3C2)n1 ZINC000676797518 487932132 /nfs/dbraw/zinc/93/21/32/487932132.db2.gz LOYMBGNCIAFNNQ-UHFFFAOYSA-N 1 2 218.264 0.060 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000669930720 487932265 /nfs/dbraw/zinc/93/22/65/487932265.db2.gz UBPOMSLFFCONOA-VDAHYXPESA-N 1 2 243.332 0.335 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000669930720 487932270 /nfs/dbraw/zinc/93/22/70/487932270.db2.gz UBPOMSLFFCONOA-VDAHYXPESA-N 1 2 243.332 0.335 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795789 487932592 /nfs/dbraw/zinc/93/25/92/487932592.db2.gz PAHSQXDWDUNMDX-UHFFFAOYSA-N 1 2 244.298 0.630 20 0 BCADLO O=c1ccccn1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000676795789 487932596 /nfs/dbraw/zinc/93/25/96/487932596.db2.gz PAHSQXDWDUNMDX-UHFFFAOYSA-N 1 2 244.298 0.630 20 0 BCADLO CO[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000682236309 487932618 /nfs/dbraw/zinc/93/26/18/487932618.db2.gz GRHVKOLEZZRMCY-JTQLQIEISA-N 1 2 209.249 0.594 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676796131 487932622 /nfs/dbraw/zinc/93/26/22/487932622.db2.gz YTMFGVGIJPBBMH-JTQLQIEISA-N 1 2 225.292 0.165 20 0 BCADLO CCOC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676796131 487932626 /nfs/dbraw/zinc/93/26/26/487932626.db2.gz YTMFGVGIJPBBMH-JTQLQIEISA-N 1 2 225.292 0.165 20 0 BCADLO CCOC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676796131 487932631 /nfs/dbraw/zinc/93/26/31/487932631.db2.gz YTMFGVGIJPBBMH-JTQLQIEISA-N 1 2 225.292 0.165 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000682245513 487934743 /nfs/dbraw/zinc/93/47/43/487934743.db2.gz AXQWKZWLEODIAR-ONGXEEELSA-N 1 2 225.292 0.645 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](C)O1 ZINC000682245513 487934749 /nfs/dbraw/zinc/93/47/49/487934749.db2.gz AXQWKZWLEODIAR-ONGXEEELSA-N 1 2 225.292 0.645 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000669933958 487938122 /nfs/dbraw/zinc/93/81/22/487938122.db2.gz LEPNBUBVPWQJDY-NEPJUHHUSA-N 1 2 239.315 0.845 20 0 BCADLO O=C(C1CC1)[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000669933958 487938124 /nfs/dbraw/zinc/93/81/24/487938124.db2.gz LEPNBUBVPWQJDY-NEPJUHHUSA-N 1 2 239.315 0.845 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672144632 487942325 /nfs/dbraw/zinc/94/23/25/487942325.db2.gz BLUWWDDLUCATHC-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO Cc1nc(NC(=O)N(C)Cc2c[nH+]c[nH]2)nn1C ZINC000667133985 487942719 /nfs/dbraw/zinc/94/27/19/487942719.db2.gz MBDXJCXTEPBAHH-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BCADLO Cc1nc(NC(=O)N(C)Cc2c[nH]c[nH+]2)nn1C ZINC000667133985 487942726 /nfs/dbraw/zinc/94/27/26/487942726.db2.gz MBDXJCXTEPBAHH-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC(C2CCOCC2)C1 ZINC000669734053 487944033 /nfs/dbraw/zinc/94/40/33/487944033.db2.gz DYWUEULHDJZCHV-UHFFFAOYSA-N 1 2 249.314 0.768 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000188775994 487949366 /nfs/dbraw/zinc/94/93/66/487949366.db2.gz XGOXMDRYXGWEEV-YUMQZZPRSA-N 1 2 241.295 0.012 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000188775994 487949370 /nfs/dbraw/zinc/94/93/70/487949370.db2.gz XGOXMDRYXGWEEV-YUMQZZPRSA-N 1 2 241.295 0.012 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943702 487950663 /nfs/dbraw/zinc/95/06/63/487950663.db2.gz XTRMXXUQUYYMAX-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943702 487950664 /nfs/dbraw/zinc/95/06/64/487950664.db2.gz XTRMXXUQUYYMAX-MXWKQRLJSA-N 1 2 242.319 0.001 20 0 BCADLO C[C@H](CO)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994766 487952370 /nfs/dbraw/zinc/95/23/70/487952370.db2.gz KLGAAUBZBYTVEJ-IUCAKERBSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676994766 487952368 /nfs/dbraw/zinc/95/23/68/487952368.db2.gz KLGAAUBZBYTVEJ-IUCAKERBSA-N 1 2 240.307 0.318 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145346 487954179 /nfs/dbraw/zinc/95/41/79/487954179.db2.gz FXICMRIFDFNQHL-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000682421654 487955491 /nfs/dbraw/zinc/95/54/91/487955491.db2.gz QTSDLBXDVXQLFG-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000682421654 487955494 /nfs/dbraw/zinc/95/54/94/487955494.db2.gz QTSDLBXDVXQLFG-OUAUKWLOSA-N 1 2 226.320 0.479 20 0 BCADLO c1csc(C[NH2+]C[C@H]2COCCN2)n1 ZINC000083874642 487956072 /nfs/dbraw/zinc/95/60/72/487956072.db2.gz SFNHPGFQQGPMHQ-QMMMGPOBSA-N 1 2 213.306 0.221 20 0 BCADLO CC(C)(C)[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000566230855 322976759 /nfs/dbraw/zinc/97/67/59/322976759.db2.gz FIUXLRIFVVCCII-JGVFFNPUSA-N 1 2 225.279 0.999 20 0 BCADLO CC[C@H](O)CC(=O)Nc1cc[nH+]cc1C ZINC000560080010 322982671 /nfs/dbraw/zinc/98/26/71/322982671.db2.gz FBKQFJYBTHYXSR-VIFPVBQESA-N 1 2 208.261 0.911 20 0 BCADLO O=C(COC(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000560501414 322988630 /nfs/dbraw/zinc/98/86/30/322988630.db2.gz XMXKIDJSYBNFCU-UHFFFAOYSA-N 1 2 231.202 0.506 20 0 BCADLO CC(C)O[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000560494823 322988690 /nfs/dbraw/zinc/98/86/90/322988690.db2.gz NPSMZTUKSSGLRB-PHIMTYICSA-N 1 2 237.303 0.955 20 0 BCADLO Cc1[nH]c(C(=O)NCCCc2nncn2C)c[nH+]1 ZINC000560656778 322991227 /nfs/dbraw/zinc/99/12/27/322991227.db2.gz UXPPFPNLCLMTDA-UHFFFAOYSA-N 1 2 248.290 0.209 20 0 BCADLO CN(Cc1cnccn1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561247175 322997958 /nfs/dbraw/zinc/99/79/58/322997958.db2.gz STXFAXGYJMLPRG-UHFFFAOYSA-N 1 2 248.330 0.777 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000561347887 323000121 /nfs/dbraw/zinc/00/01/21/323000121.db2.gz KOMWRKJWBPZQOH-BDAKNGLRSA-N 1 2 222.292 0.333 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000561347887 323000122 /nfs/dbraw/zinc/00/01/22/323000122.db2.gz KOMWRKJWBPZQOH-BDAKNGLRSA-N 1 2 222.292 0.333 20 0 BCADLO CCn1nccc1CC[N@H+](C)Cc1nncn1C ZINC000561931162 323008754 /nfs/dbraw/zinc/00/87/54/323008754.db2.gz MJEOBPQRSDWSRD-UHFFFAOYSA-N 1 2 248.334 0.706 20 0 BCADLO CCn1nccc1CC[N@@H+](C)Cc1nncn1C ZINC000561931162 323008755 /nfs/dbraw/zinc/00/87/55/323008755.db2.gz MJEOBPQRSDWSRD-UHFFFAOYSA-N 1 2 248.334 0.706 20 0 BCADLO NC(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000562273316 323014631 /nfs/dbraw/zinc/01/46/31/323014631.db2.gz QXDLFAJPJSAARZ-UHFFFAOYSA-N 1 2 244.254 0.621 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC1=O ZINC000562306951 323015752 /nfs/dbraw/zinc/01/57/52/323015752.db2.gz SSSXBKHHOUALKG-VIFPVBQESA-N 1 2 221.260 0.369 20 0 BCADLO C[C@H]1C[N@H+](CCOC[C@H]2CCCO2)CC(=O)N1 ZINC000562554378 323024116 /nfs/dbraw/zinc/02/41/16/323024116.db2.gz MHMZXNDZKVEDJL-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC(=O)N1 ZINC000562554378 323024117 /nfs/dbraw/zinc/02/41/17/323024117.db2.gz MHMZXNDZKVEDJL-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO O[C@@H]1COC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000569688329 323036955 /nfs/dbraw/zinc/03/69/55/323036955.db2.gz KVPBSWVCSBNIHI-RKDXNWHRSA-N 1 2 236.275 0.223 20 0 BCADLO O[C@@H]1COC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000569688329 323036956 /nfs/dbraw/zinc/03/69/56/323036956.db2.gz KVPBSWVCSBNIHI-RKDXNWHRSA-N 1 2 236.275 0.223 20 0 BCADLO COC(=O)c1cc(C[NH2+]Cc2ncccn2)c[nH]1 ZINC000569825595 323042025 /nfs/dbraw/zinc/04/20/25/323042025.db2.gz LJKYMFLONDZNII-UHFFFAOYSA-N 1 2 246.270 0.881 20 0 BCADLO C[NH2+][C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000569940572 323045311 /nfs/dbraw/zinc/04/53/11/323045311.db2.gz FZAGZPWYRFBEPJ-LURJTMIESA-N 1 2 219.248 0.504 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC000570017469 323047489 /nfs/dbraw/zinc/04/74/89/323047489.db2.gz MGMGQIHCGSQVAP-SNVBAGLBSA-N 1 2 223.276 0.521 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(C)c1 ZINC000570056073 323048786 /nfs/dbraw/zinc/04/87/86/323048786.db2.gz BEEAOBSCWWPBJO-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(C)c1 ZINC000570056073 323048787 /nfs/dbraw/zinc/04/87/87/323048787.db2.gz BEEAOBSCWWPBJO-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C(N)=O)ccn12 ZINC000570174709 323052165 /nfs/dbraw/zinc/05/21/65/323052165.db2.gz GAKYXCBXJCSUFG-QMMMGPOBSA-N 1 2 246.270 0.246 20 0 BCADLO C[C@](O)(CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000570693378 323067435 /nfs/dbraw/zinc/06/74/35/323067435.db2.gz COBPJANECUBDRE-ZDUSSCGKSA-N 1 2 240.347 0.605 20 0 BCADLO Cn1cnc(NCCCn2cc[nH+]c2)cc1=O ZINC000570696370 323067542 /nfs/dbraw/zinc/06/75/42/323067542.db2.gz LCILZEZELOEZDH-UHFFFAOYSA-N 1 2 233.275 0.479 20 0 BCADLO C[N@H+](Cc1nnnn1C1CCOCC1)C1CC1 ZINC000570760051 323069520 /nfs/dbraw/zinc/06/95/20/323069520.db2.gz DWUIFDCOIWXFNN-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CCOCC1)C1CC1 ZINC000570760051 323069521 /nfs/dbraw/zinc/06/95/21/323069521.db2.gz DWUIFDCOIWXFNN-UHFFFAOYSA-N 1 2 237.307 0.619 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)[C@H](C)CO)n1cc[nH+]c1 ZINC000570807144 323071263 /nfs/dbraw/zinc/07/12/63/323071263.db2.gz SOTNTFDTCBTHGY-MXWKQRLJSA-N 1 2 239.319 0.967 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C1CC1 ZINC000570826915 323071918 /nfs/dbraw/zinc/07/19/18/323071918.db2.gz IGLWOOJBSTWFQO-UHFFFAOYSA-N 1 2 215.278 0.334 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C1CC1 ZINC000570826915 323071919 /nfs/dbraw/zinc/07/19/19/323071919.db2.gz IGLWOOJBSTWFQO-UHFFFAOYSA-N 1 2 215.278 0.334 20 0 BCADLO CN(C)[C@@H](C(=O)N[C@@H]1CC12CC2)c1c[nH+]cn1C ZINC000563006834 323079533 /nfs/dbraw/zinc/07/95/33/323079533.db2.gz HLZZHOVBIQBOIX-GHMZBOCLSA-N 1 2 248.330 0.692 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](CO)O1 ZINC000527303551 323091594 /nfs/dbraw/zinc/09/15/94/323091594.db2.gz WVQAKTDGKTZMQC-BXKDBHETSA-N 1 2 241.287 0.354 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](CO)O1 ZINC000527303551 323091595 /nfs/dbraw/zinc/09/15/95/323091595.db2.gz WVQAKTDGKTZMQC-BXKDBHETSA-N 1 2 241.287 0.354 20 0 BCADLO C[N@H+](CCN1CCCC1=O)Cc1ncccn1 ZINC000570993976 323103359 /nfs/dbraw/zinc/10/33/59/323103359.db2.gz IJBVBVSFMDFAIL-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO C[N@@H+](CCN1CCCC1=O)Cc1ncccn1 ZINC000570993976 323103360 /nfs/dbraw/zinc/10/33/60/323103360.db2.gz IJBVBVSFMDFAIL-UHFFFAOYSA-N 1 2 234.303 0.531 20 0 BCADLO CNC(=O)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563285447 323108554 /nfs/dbraw/zinc/10/85/54/323108554.db2.gz QXTXVNDQCHLSQW-UHFFFAOYSA-N 1 2 238.291 0.206 20 0 BCADLO O=C(NCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC000534276127 323115446 /nfs/dbraw/zinc/11/54/46/323115446.db2.gz JAFQPCJAYXOJCQ-VIFPVBQESA-N 1 2 225.267 0.921 20 0 BCADLO COCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000534324050 323116470 /nfs/dbraw/zinc/11/64/70/323116470.db2.gz ZNHDJNCTSKJYDH-UHFFFAOYSA-N 1 2 223.276 0.888 20 0 BCADLO NC(=O)c1cnn(Cc2[nH+]ccn2C(F)F)c1 ZINC000531850061 323117085 /nfs/dbraw/zinc/11/70/85/323117085.db2.gz MXVAGTRFGTZOEK-UHFFFAOYSA-N 1 2 241.201 0.622 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563390083 323121812 /nfs/dbraw/zinc/12/18/12/323121812.db2.gz MQSAHLRDWKCCJW-ZDUSSCGKSA-N 1 2 242.363 0.996 20 0 BCADLO CCOC(=O)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC000309960313 323122528 /nfs/dbraw/zinc/12/25/28/323122528.db2.gz KTKXLZXCIBKCBI-SSDOTTSWSA-N 1 2 227.264 0.982 20 0 BCADLO CC(=O)N1CC([NH2+][C@@H](C)c2ncc[nH]2)C1 ZINC000563418554 323123741 /nfs/dbraw/zinc/12/37/41/323123741.db2.gz PFGGTBMUGBPNGD-ZETCQYMHSA-N 1 2 208.265 0.291 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(=O)CC1 ZINC000563412812 323124970 /nfs/dbraw/zinc/12/49/70/323124970.db2.gz REAOCTZSHVCNOB-JTQLQIEISA-N 1 2 247.298 0.637 20 0 BCADLO C[C@@H](CC(=O)N1CCCO1)n1cc[nH+]c1 ZINC000563539750 323130057 /nfs/dbraw/zinc/13/00/57/323130057.db2.gz VVMIGBRIQNBOCX-VIFPVBQESA-N 1 2 209.249 0.998 20 0 BCADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000152209092 323133399 /nfs/dbraw/zinc/13/33/99/323133399.db2.gz LDEZTJUOLPRNJZ-GHMZBOCLSA-N 1 2 237.303 0.957 20 0 BCADLO c1nnn2c1C[N@H+](CCOC1CCC1)CC2 ZINC000565174853 323133732 /nfs/dbraw/zinc/13/37/32/323133732.db2.gz VZWOHECYRNCQJK-UHFFFAOYSA-N 1 2 222.292 0.663 20 0 BCADLO c1nnn2c1C[N@@H+](CCOC1CCC1)CC2 ZINC000565174853 323133733 /nfs/dbraw/zinc/13/37/33/323133733.db2.gz VZWOHECYRNCQJK-UHFFFAOYSA-N 1 2 222.292 0.663 20 0 BCADLO CC(C)C(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000571135927 323136328 /nfs/dbraw/zinc/13/63/28/323136328.db2.gz VEFPSTRFPRMBBD-JTQLQIEISA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)C(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000571135927 323136329 /nfs/dbraw/zinc/13/63/29/323136329.db2.gz VEFPSTRFPRMBBD-JTQLQIEISA-N 1 2 228.336 0.868 20 0 BCADLO CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000571177613 323137178 /nfs/dbraw/zinc/13/71/78/323137178.db2.gz OVANBDVFMREVEA-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000571177613 323137179 /nfs/dbraw/zinc/13/71/79/323137179.db2.gz OVANBDVFMREVEA-LLVKDONJSA-N 1 2 228.336 0.964 20 0 BCADLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1nnn(C)n1 ZINC000571288624 323140356 /nfs/dbraw/zinc/14/03/56/323140356.db2.gz DNWBLPZFJZHZTD-DTWKUNHWSA-N 1 2 227.312 0.097 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000571397508 323143598 /nfs/dbraw/zinc/14/35/98/323143598.db2.gz ZHXRXWJCWDWMJU-MRVPVSSYSA-N 1 2 247.306 0.475 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)[nH]1 ZINC000571397508 323143599 /nfs/dbraw/zinc/14/35/99/323143599.db2.gz ZHXRXWJCWDWMJU-MRVPVSSYSA-N 1 2 247.306 0.475 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nncn1C ZINC000534843193 323161098 /nfs/dbraw/zinc/16/10/98/323161098.db2.gz IEWUEFSTUYNRLT-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000563739060 323176584 /nfs/dbraw/zinc/17/65/84/323176584.db2.gz QPHBIRCVVQPJPZ-SECBINFHSA-N 1 2 249.314 0.861 20 0 BCADLO O=C(NC1(CCO)CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000563739060 323176585 /nfs/dbraw/zinc/17/65/85/323176585.db2.gz QPHBIRCVVQPJPZ-SECBINFHSA-N 1 2 249.314 0.861 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCC12CC(C1)CO2 ZINC000529872769 323193479 /nfs/dbraw/zinc/19/34/79/323193479.db2.gz PYRWOEIHHAGIPT-UHFFFAOYSA-N 1 2 249.314 0.648 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529973958 323194703 /nfs/dbraw/zinc/19/47/03/323194703.db2.gz GKGOHOPQYRZCQS-UXCLJVHYSA-N 1 2 237.303 0.811 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000529973955 323194706 /nfs/dbraw/zinc/19/47/06/323194706.db2.gz GKGOHOPQYRZCQS-DTHBNOIPSA-N 1 2 237.303 0.811 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529985278 323195134 /nfs/dbraw/zinc/19/51/34/323195134.db2.gz TVWDJRYFIRPFBU-JXVAYASWSA-N 1 2 237.303 0.880 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCO[C@@H](CO)C1 ZINC000528391564 323196661 /nfs/dbraw/zinc/19/66/61/323196661.db2.gz AFJCRNHPROLTJN-GNJCPQTGSA-N 1 2 205.685 0.822 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCO[C@@H](CO)C1 ZINC000528391564 323196662 /nfs/dbraw/zinc/19/66/62/323196662.db2.gz AFJCRNHPROLTJN-GNJCPQTGSA-N 1 2 205.685 0.822 20 0 BCADLO Cc1cc(NC(=O)[C@H]2COCCO2)c(C)c[nH+]1 ZINC000536574753 323198155 /nfs/dbraw/zinc/19/81/55/323198155.db2.gz BOJMISOGUIJCDF-LLVKDONJSA-N 1 2 236.271 0.474 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191767536 323198507 /nfs/dbraw/zinc/19/85/07/323198507.db2.gz IQFYPBVESZICLS-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191767536 323198508 /nfs/dbraw/zinc/19/85/08/323198508.db2.gz IQFYPBVESZICLS-KCJUWKMLSA-N 1 2 240.303 0.873 20 0 BCADLO C[C@]1(F)CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000563895702 323201378 /nfs/dbraw/zinc/20/13/78/323201378.db2.gz XOWSTPAPBXVKOE-XVKPBYJWSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@]1(F)CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000563895702 323201379 /nfs/dbraw/zinc/20/13/79/323201379.db2.gz XOWSTPAPBXVKOE-XVKPBYJWSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000070737893 323245171 /nfs/dbraw/zinc/24/51/71/323245171.db2.gz LWDIXLDURHDJCF-SNVBAGLBSA-N 1 2 227.352 0.537 20 0 BCADLO O=C(C[N@@H+](CCO)Cc1cccnc1)N1CCC1 ZINC000532422871 323261731 /nfs/dbraw/zinc/26/17/31/323261731.db2.gz JRXPKBKXRKZKJK-UHFFFAOYSA-N 1 2 249.314 0.108 20 0 BCADLO O=C(C[N@H+](CCO)Cc1cccnc1)N1CCC1 ZINC000532422871 323261733 /nfs/dbraw/zinc/26/17/33/323261733.db2.gz JRXPKBKXRKZKJK-UHFFFAOYSA-N 1 2 249.314 0.108 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000532724877 323291873 /nfs/dbraw/zinc/29/18/73/323291873.db2.gz OZMQTDXEWOIBDH-LLVKDONJSA-N 1 2 232.287 0.032 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000532724877 323291875 /nfs/dbraw/zinc/29/18/75/323291875.db2.gz OZMQTDXEWOIBDH-LLVKDONJSA-N 1 2 232.287 0.032 20 0 BCADLO CC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000526969965 323308869 /nfs/dbraw/zinc/30/88/69/323308869.db2.gz AIRZJSDOOVEQRT-UHFFFAOYSA-N 1 2 200.257 0.653 20 0 BCADLO Cc1ncc2c(n1)CC[N@H+]([C@@H]1CCOC1)C2 ZINC000563947444 323329425 /nfs/dbraw/zinc/32/94/25/323329425.db2.gz YFQFPIHOQOXWQH-LLVKDONJSA-N 1 2 219.288 0.932 20 0 BCADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000563947444 323329428 /nfs/dbraw/zinc/32/94/28/323329428.db2.gz YFQFPIHOQOXWQH-LLVKDONJSA-N 1 2 219.288 0.932 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc1 ZINC000532892188 323348035 /nfs/dbraw/zinc/34/80/35/323348035.db2.gz BFZRBOVMNGNIJH-GHMZBOCLSA-N 1 2 246.314 0.495 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc1 ZINC000532892188 323348040 /nfs/dbraw/zinc/34/80/40/323348040.db2.gz BFZRBOVMNGNIJH-GHMZBOCLSA-N 1 2 246.314 0.495 20 0 BCADLO CCc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000532892461 323348100 /nfs/dbraw/zinc/34/81/00/323348100.db2.gz WIOQITGCDJVFFJ-GHMZBOCLSA-N 1 2 249.314 0.947 20 0 BCADLO CCc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000532892461 323348105 /nfs/dbraw/zinc/34/81/05/323348105.db2.gz WIOQITGCDJVFFJ-GHMZBOCLSA-N 1 2 249.314 0.947 20 0 BCADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CCOC1 ZINC000572355538 323606535 /nfs/dbraw/zinc/60/65/35/323606535.db2.gz YSOITRFKQUFNQV-CBAPKCEASA-N 1 2 241.316 0.390 20 0 BCADLO CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CCOC1 ZINC000572355540 323606612 /nfs/dbraw/zinc/60/66/12/323606612.db2.gz YSOITRFKQUFNQV-VXNVDRBHSA-N 1 2 241.316 0.390 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000548460997 323667969 /nfs/dbraw/zinc/66/79/69/323667969.db2.gz NKXBOVPWQRMJLN-DGCLKSJQSA-N 1 2 249.314 0.505 20 0 BCADLO COc1ccc[nH+]c1N1CC[C@@](C)(C(N)=O)C1 ZINC000527998362 323734496 /nfs/dbraw/zinc/73/44/96/323734496.db2.gz YOEZAFWNGVZGBC-GFCCVEGCSA-N 1 2 235.287 0.792 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000528110615 323765660 /nfs/dbraw/zinc/76/56/60/323765660.db2.gz YTXCOXYVXFZAJI-QWRGUYRKSA-N 1 2 249.314 0.391 20 0 BCADLO C[C@@H](NC(=O)N(C)CCCO)c1[nH+]ccn1C ZINC000667250280 487962015 /nfs/dbraw/zinc/96/20/15/487962015.db2.gz LAAXRZGCJRKQSU-SECBINFHSA-N 1 2 240.307 0.505 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1ccno1 ZINC000537523992 324076302 /nfs/dbraw/zinc/07/63/02/324076302.db2.gz BAKBFVOYAMEVOV-UHFFFAOYSA-N 1 2 226.280 0.378 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccno1 ZINC000537523992 324076303 /nfs/dbraw/zinc/07/63/03/324076303.db2.gz BAKBFVOYAMEVOV-UHFFFAOYSA-N 1 2 226.280 0.378 20 0 BCADLO CC(=O)NCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000537517269 324076362 /nfs/dbraw/zinc/07/63/62/324076362.db2.gz FTGIKMRZOVYRRW-JTQLQIEISA-N 1 2 238.291 0.733 20 0 BCADLO CC(=O)NCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000537517269 324076364 /nfs/dbraw/zinc/07/63/64/324076364.db2.gz FTGIKMRZOVYRRW-JTQLQIEISA-N 1 2 238.291 0.733 20 0 BCADLO C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCNC1=O ZINC000537695071 324097628 /nfs/dbraw/zinc/09/76/28/324097628.db2.gz YDGHKHLWMAQDDG-JTQLQIEISA-N 1 2 224.260 0.092 20 0 BCADLO C[N@H+](Cc1ccc(CO)o1)[C@H]1CCNC1=O ZINC000537695071 324097623 /nfs/dbraw/zinc/09/76/23/324097623.db2.gz YDGHKHLWMAQDDG-JTQLQIEISA-N 1 2 224.260 0.092 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CCCOC1 ZINC000529604662 324361923 /nfs/dbraw/zinc/36/19/23/324361923.db2.gz FTLHKBABLUMHEJ-JTQLQIEISA-N 1 2 237.303 0.885 20 0 BCADLO CCO[C@@]1(C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000529855003 324410316 /nfs/dbraw/zinc/41/03/16/324410316.db2.gz RBLZJIBRNTVTOW-PWSUYJOCSA-N 1 2 237.303 0.957 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cnccn1 ZINC000542481835 325030583 /nfs/dbraw/zinc/03/05/83/325030583.db2.gz HHAOPXSMPQWJGC-UHFFFAOYSA-N 1 2 231.259 0.183 20 0 BCADLO CCN(C)C(=O)CC[NH2+]C(C)(C)C(=O)OC ZINC000130318995 325039488 /nfs/dbraw/zinc/03/94/88/325039488.db2.gz JNPMYURPNWHTHG-UHFFFAOYSA-N 1 2 230.308 0.396 20 0 BCADLO CC(=O)N[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000070991441 325049054 /nfs/dbraw/zinc/04/90/54/325049054.db2.gz AKJZCWSAIZSHCA-JTQLQIEISA-N 1 2 238.291 0.187 20 0 BCADLO Cc1nc(N2CC3(CCC3)OC[C@H]2C)nc(N)[nH+]1 ZINC000631366425 487966842 /nfs/dbraw/zinc/96/68/42/487966842.db2.gz FYUMJQRXOHTUSZ-MRVPVSSYSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1nc(N)nc(N2CC3(CCC3)OC[C@H]2C)[nH+]1 ZINC000631366425 487966847 /nfs/dbraw/zinc/96/68/47/487966847.db2.gz FYUMJQRXOHTUSZ-MRVPVSSYSA-N 1 2 249.318 0.910 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)nc(C)n1 ZINC000543648012 325100176 /nfs/dbraw/zinc/10/01/76/325100176.db2.gz RHOJQVDCKFBQKZ-UHFFFAOYSA-N 1 2 244.254 0.868 20 0 BCADLO CCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000543910152 325122219 /nfs/dbraw/zinc/12/22/19/325122219.db2.gz OXXCDWQOKAOYDD-UHFFFAOYSA-N 1 2 229.305 0.480 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccnn1C ZINC000544366147 325139462 /nfs/dbraw/zinc/13/94/62/325139462.db2.gz WLMMTOHKTBRZLX-UHFFFAOYSA-N 1 2 233.275 0.126 20 0 BCADLO CCCCNC(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000544513398 325145296 /nfs/dbraw/zinc/14/52/96/325145296.db2.gz QEMWXHBQOXTGSC-QMMMGPOBSA-N 1 2 240.307 0.945 20 0 BCADLO CCc1cc(C(=O)N2CC[NH+](C)CC2)c(C)nn1 ZINC000544732648 325156238 /nfs/dbraw/zinc/15/62/38/325156238.db2.gz XGATYBHDJHKVLZ-UHFFFAOYSA-N 1 2 248.330 0.735 20 0 BCADLO CC[C@@H](C)OCC(=O)NCC[NH+]1CCOCC1 ZINC000131573640 325164706 /nfs/dbraw/zinc/16/47/06/325164706.db2.gz JCVAGBDAAMXXJW-LLVKDONJSA-N 1 2 244.335 0.250 20 0 BCADLO Cn1c[nH+]cc1Cc1noc(Cn2cccn2)n1 ZINC000545140602 325180242 /nfs/dbraw/zinc/18/02/42/325180242.db2.gz JAGANHMDAXSMSN-UHFFFAOYSA-N 1 2 244.258 0.639 20 0 BCADLO CC1=CC[N@H+](CCNC(=O)c2ncn[nH]2)CC1 ZINC000545162566 325181295 /nfs/dbraw/zinc/18/12/95/325181295.db2.gz OQEYSJIOWDEPLX-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CC1=CC[N@@H+](CCNC(=O)c2ncn[nH]2)CC1 ZINC000545162566 325181299 /nfs/dbraw/zinc/18/12/99/325181299.db2.gz OQEYSJIOWDEPLX-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CC1=CC[N@H+](CCNC(=O)c2nc[nH]n2)CC1 ZINC000545162566 325181303 /nfs/dbraw/zinc/18/13/03/325181303.db2.gz OQEYSJIOWDEPLX-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO CC1=CC[N@@H+](CCNC(=O)c2nc[nH]n2)CC1 ZINC000545162566 325181306 /nfs/dbraw/zinc/18/13/06/325181306.db2.gz OQEYSJIOWDEPLX-UHFFFAOYSA-N 1 2 235.291 0.187 20 0 BCADLO Cn1cc(C[NH2+]Cc2nnnn2CC2CC2)cn1 ZINC000545315731 325211557 /nfs/dbraw/zinc/21/15/57/325211557.db2.gz MNYBTUCOCCZVCG-UHFFFAOYSA-N 1 2 247.306 0.106 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000132611118 325229553 /nfs/dbraw/zinc/22/95/53/325229553.db2.gz STJFLOQYGRUPMD-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000132611118 325229557 /nfs/dbraw/zinc/22/95/57/325229557.db2.gz STJFLOQYGRUPMD-NSHDSACASA-N 1 2 226.320 0.766 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)OC)CCS1 ZINC000076072813 325329236 /nfs/dbraw/zinc/32/92/36/325329236.db2.gz QPLTWFDNFTZNDM-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)OC)CCS1 ZINC000076072813 325329238 /nfs/dbraw/zinc/32/92/38/325329238.db2.gz QPLTWFDNFTZNDM-MRVPVSSYSA-N 1 2 203.307 0.987 20 0 BCADLO COc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)on1 ZINC000546602406 325292435 /nfs/dbraw/zinc/29/24/35/325292435.db2.gz OBMDVXNMLKRIKO-UHFFFAOYSA-N 1 2 248.242 0.577 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2CC(O)C2)n1C1CC1 ZINC000546800936 325312359 /nfs/dbraw/zinc/31/23/59/325312359.db2.gz LTVRTBVHAHXDKA-UHFFFAOYSA-N 1 2 236.319 0.877 20 0 BCADLO Cc1nnc(C[N@H+](C)C2CC(O)C2)n1C1CC1 ZINC000546800936 325312361 /nfs/dbraw/zinc/31/23/61/325312361.db2.gz LTVRTBVHAHXDKA-UHFFFAOYSA-N 1 2 236.319 0.877 20 0 BCADLO CC(=O)c1c[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134491798 325361010 /nfs/dbraw/zinc/36/10/10/325361010.db2.gz HMKUOMSDHHRHRK-UHFFFAOYSA-N 1 2 246.270 0.913 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCCc1c[nH+]cn1C ZINC000547483834 325361840 /nfs/dbraw/zinc/36/18/40/325361840.db2.gz BITGEKXCOYRMJJ-GFCCVEGCSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCCn1cccn1 ZINC000547539494 325371239 /nfs/dbraw/zinc/37/12/39/325371239.db2.gz HTFYTJDKIVEXEO-UHFFFAOYSA-N 1 2 247.302 0.366 20 0 BCADLO C[C@@H]1[C@H](C(=O)NCCc2c[nH+]cn2C)C1(F)F ZINC000547804146 325400561 /nfs/dbraw/zinc/40/05/61/325400561.db2.gz TZDJAAGNBCVBIK-VXNVDRBHSA-N 1 2 243.257 0.980 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCOC(C)(C)C1 ZINC000547864102 325409712 /nfs/dbraw/zinc/40/97/12/325409712.db2.gz YDSSATUCWLZUJD-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCS1 ZINC000547867720 325410763 /nfs/dbraw/zinc/41/07/63/325410763.db2.gz IZDLNRKHDFZBJP-SECBINFHSA-N 1 2 239.344 0.927 20 0 BCADLO COC[C@@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000548186596 325439833 /nfs/dbraw/zinc/43/98/33/325439833.db2.gz GSSLGAKMFXQAOZ-JTQLQIEISA-N 1 2 239.319 0.751 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)Cc1c[nH+]cn1C ZINC000548191245 325440286 /nfs/dbraw/zinc/44/02/86/325440286.db2.gz QNEJELCOYAFLSG-JTQLQIEISA-N 1 2 247.302 0.364 20 0 BCADLO CCO[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000548873388 325490433 /nfs/dbraw/zinc/49/04/33/325490433.db2.gz MGJPOTTTXXZDQY-DTWKUNHWSA-N 1 2 233.275 0.953 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000550312418 325528959 /nfs/dbraw/zinc/52/89/59/325528959.db2.gz GISNZZPFGVCHIP-SECBINFHSA-N 1 2 225.317 0.847 20 0 BCADLO CC(C)(C)n1nnc(Cn2cc[nH+]c2)n1 ZINC000653572707 487968425 /nfs/dbraw/zinc/96/84/25/487968425.db2.gz VUVSJTQKDMGYCA-UHFFFAOYSA-N 1 2 206.253 0.673 20 0 BCADLO Cc1nc(N2C[C@@H]3CCC[C@]3(CO)C2)nc(N)[nH+]1 ZINC000631391726 487968452 /nfs/dbraw/zinc/96/84/52/487968452.db2.gz LDHQOKQJJLLYRL-JOYOIKCWSA-N 1 2 249.318 0.361 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3CCC[C@]3(CO)C2)[nH+]1 ZINC000631391726 487968456 /nfs/dbraw/zinc/96/84/56/487968456.db2.gz LDHQOKQJJLLYRL-JOYOIKCWSA-N 1 2 249.318 0.361 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCOC2(CCC2)C1 ZINC000551945598 325576010 /nfs/dbraw/zinc/57/60/10/325576010.db2.gz LXWVORGOIXPBNG-UHFFFAOYSA-N 1 2 235.287 0.665 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)O)[C@H](C)CC ZINC000249591486 325656809 /nfs/dbraw/zinc/65/68/09/325656809.db2.gz PEHORVPUBHCBME-KXUCPTDWSA-N 1 2 217.309 0.935 20 0 BCADLO Cc1nc(N2C[C@@H]3[C@H](C2)C3(C)C)nc(N)[nH+]1 ZINC000380324120 487968602 /nfs/dbraw/zinc/96/86/02/487968602.db2.gz IAXHHBFQLBJGNV-OCAPTIKFSA-N 1 2 219.292 0.854 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]1 ZINC000380324120 487968605 /nfs/dbraw/zinc/96/86/05/487968605.db2.gz IAXHHBFQLBJGNV-OCAPTIKFSA-N 1 2 219.292 0.854 20 0 BCADLO CC[C@H](COC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553478249 325693333 /nfs/dbraw/zinc/69/33/33/325693333.db2.gz KOCYJWJLTKVPAM-SNVBAGLBSA-N 1 2 228.336 0.869 20 0 BCADLO C[C@@H]1C[NH+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)S1 ZINC000092618891 325718352 /nfs/dbraw/zinc/71/83/52/325718352.db2.gz WPZNJXPPRIAPDU-RNFRBKRXSA-N 1 2 228.321 0.836 20 0 BCADLO COC[C@H](C)N(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000564835219 325814198 /nfs/dbraw/zinc/81/41/98/325814198.db2.gz FXUDLBPQYKARGZ-CBAPKCEASA-N 1 2 243.332 0.636 20 0 BCADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000565170510 325867457 /nfs/dbraw/zinc/86/74/57/325867457.db2.gz GVNNBQUMUZPSAA-UHFFFAOYSA-N 1 2 249.274 0.429 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000565189403 325871013 /nfs/dbraw/zinc/87/10/13/325871013.db2.gz PMZDJWSNOGWQNY-SNVBAGLBSA-N 1 2 228.336 0.461 20 0 BCADLO CC(=O)c1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)on1 ZINC000661719889 487971372 /nfs/dbraw/zinc/97/13/72/487971372.db2.gz AVACKPBCMRGBTK-JOYOIKCWSA-N 1 2 236.271 0.834 20 0 BCADLO CC(=O)c1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)on1 ZINC000661719889 487971374 /nfs/dbraw/zinc/97/13/74/487971374.db2.gz AVACKPBCMRGBTK-JOYOIKCWSA-N 1 2 236.271 0.834 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](O)C12CCCC2 ZINC000565649850 325938096 /nfs/dbraw/zinc/93/80/96/325938096.db2.gz YMSDXGZHUPTXJA-NSHDSACASA-N 1 2 249.314 0.789 20 0 BCADLO Cc1cncc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000566430233 326045521 /nfs/dbraw/zinc/04/55/21/326045521.db2.gz OBISRLSTSPDBCC-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1cncc(C[N@H+]2CCn3nncc3C2)c1 ZINC000566430233 326045522 /nfs/dbraw/zinc/04/55/22/326045522.db2.gz OBISRLSTSPDBCC-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cccn1 ZINC000566435521 326046986 /nfs/dbraw/zinc/04/69/86/326046986.db2.gz KEHCNBFAHPGTIO-SNVBAGLBSA-N 1 2 247.302 0.601 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCn1cccn1 ZINC000566435521 326046989 /nfs/dbraw/zinc/04/69/89/326046989.db2.gz KEHCNBFAHPGTIO-SNVBAGLBSA-N 1 2 247.302 0.601 20 0 BCADLO COC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000566851928 326087766 /nfs/dbraw/zinc/08/77/66/326087766.db2.gz SQFDSBFLXCXFDI-UHFFFAOYSA-N 1 2 206.245 0.960 20 0 BCADLO COC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000566851928 326087769 /nfs/dbraw/zinc/08/77/69/326087769.db2.gz SQFDSBFLXCXFDI-UHFFFAOYSA-N 1 2 206.245 0.960 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000309848004 326171475 /nfs/dbraw/zinc/17/14/75/326171475.db2.gz VPHJUWSFQUCYIM-JQWIXIFHSA-N 1 2 229.320 0.935 20 0 BCADLO CC(C)(NC(=O)[C@H]1COCCO1)c1[nH]cc[nH+]1 ZINC000567359217 326174109 /nfs/dbraw/zinc/17/41/09/326174109.db2.gz NPJWQGNAYQJXGP-MRVPVSSYSA-N 1 2 239.275 0.176 20 0 BCADLO CC[C@@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000567413148 326185655 /nfs/dbraw/zinc/18/56/55/326185655.db2.gz PWKNJNWXVGZWQD-VIFPVBQESA-N 1 2 211.265 0.424 20 0 BCADLO C[C@H](CO)[N@@H+](Cc1nnn(C)n1)CC1CCC1 ZINC000567449003 326194460 /nfs/dbraw/zinc/19/44/60/326194460.db2.gz JGSMZOIPCVVXJA-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@H](CO)[N@H+](Cc1nnn(C)n1)CC1CCC1 ZINC000567449003 326194462 /nfs/dbraw/zinc/19/44/62/326194462.db2.gz JGSMZOIPCVVXJA-SECBINFHSA-N 1 2 239.323 0.193 20 0 BCADLO CCn1nccc1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000567456182 326196093 /nfs/dbraw/zinc/19/60/93/326196093.db2.gz VDEFUGKHTCAVKB-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCn1nccc1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000567456182 326196095 /nfs/dbraw/zinc/19/60/95/326196095.db2.gz VDEFUGKHTCAVKB-JTQLQIEISA-N 1 2 236.319 0.266 20 0 BCADLO CCC[C@H](O)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000567611309 326228441 /nfs/dbraw/zinc/22/84/41/326228441.db2.gz XNGIWGDKBWMUTK-CBAPKCEASA-N 1 2 243.332 0.420 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)cn1 ZINC000156833822 326243888 /nfs/dbraw/zinc/24/38/88/326243888.db2.gz ASCIJCXRBDPBHH-VIFPVBQESA-N 1 2 245.286 0.679 20 0 BCADLO C[C@@H](O)[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000567686058 326245212 /nfs/dbraw/zinc/24/52/12/326245212.db2.gz VRMRQVWWMKQAHR-NKWVEPMBSA-N 1 2 211.265 0.806 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](CCO)C1CC1 ZINC000567778746 326257683 /nfs/dbraw/zinc/25/76/83/326257683.db2.gz NVBLKWZHSGSIAB-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](CCO)C1CC1 ZINC000567778746 326257685 /nfs/dbraw/zinc/25/76/85/326257685.db2.gz NVBLKWZHSGSIAB-UHFFFAOYSA-N 1 2 236.319 0.649 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC(=O)N(C)C1 ZINC000567915148 326282839 /nfs/dbraw/zinc/28/28/39/326282839.db2.gz IZNMVIFVGWUKCQ-SECBINFHSA-N 1 2 220.276 0.736 20 0 BCADLO CO[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000567946639 326287418 /nfs/dbraw/zinc/28/74/18/326287418.db2.gz INHFVYIVXLGRLY-SNVBAGLBSA-N 1 2 223.276 0.424 20 0 BCADLO CCc1nnc(C[NH2+]C2(CC(=O)OC)CC2)o1 ZINC000567995172 326294175 /nfs/dbraw/zinc/29/41/75/326294175.db2.gz CUQUITBEFYBSQL-UHFFFAOYSA-N 1 2 239.275 0.817 20 0 BCADLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)on1 ZINC000568013824 326295946 /nfs/dbraw/zinc/29/59/46/326295946.db2.gz MWBBXNNTVDTNEV-UHFFFAOYSA-N 1 2 234.259 0.538 20 0 BCADLO Cc1[nH+]c2ccccn2c1CN1CCNC(=O)C1 ZINC000157910092 326300185 /nfs/dbraw/zinc/30/01/85/326300185.db2.gz BZXHPEHKXVAXNF-UHFFFAOYSA-N 1 2 244.298 0.575 20 0 BCADLO C[C@H](CC(=O)NCc1ccnn1C)n1cc[nH+]c1 ZINC000568097231 326307597 /nfs/dbraw/zinc/30/75/97/326307597.db2.gz WJRXJODGRQIHOT-SNVBAGLBSA-N 1 2 247.302 0.884 20 0 BCADLO CCN(CC(=O)OC)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568190752 326324225 /nfs/dbraw/zinc/32/42/25/326324225.db2.gz NQHQNAXYXSKISS-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)[C@H](C)O1 ZINC000568341755 326345751 /nfs/dbraw/zinc/34/57/51/326345751.db2.gz LDKNMDBFZPVXQL-VWYCJHECSA-N 1 2 237.303 0.907 20 0 BCADLO Cc1nc(C[NH2+][C@@]2(C(N)=O)CCOC2)cs1 ZINC000568408772 326355398 /nfs/dbraw/zinc/35/53/98/326355398.db2.gz XVWSUSCRNAEFTF-JTQLQIEISA-N 1 2 241.316 0.186 20 0 BCADLO Cc1nc(N2CC=CC2)nc(N(C)C)[nH+]1 ZINC000568519613 326362380 /nfs/dbraw/zinc/36/23/80/326362380.db2.gz IBFZYRZFWYFOFE-UHFFFAOYSA-N 1 2 205.265 0.622 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC=CC2)[nH+]1 ZINC000568519613 326362381 /nfs/dbraw/zinc/36/23/81/326362381.db2.gz IBFZYRZFWYFOFE-UHFFFAOYSA-N 1 2 205.265 0.622 20 0 BCADLO O=C(Nc1ccc2nn[nH]c2c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000568617205 326367633 /nfs/dbraw/zinc/36/76/33/326367633.db2.gz WBUGWZJURSNUCK-KRTXAFLBSA-N 1 2 243.270 0.648 20 0 BCADLO COc1cncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000568779803 326377376 /nfs/dbraw/zinc/37/73/76/326377376.db2.gz QTJXGXQVJNPAGE-SSDOTTSWSA-N 1 2 247.258 0.699 20 0 BCADLO C[C@H](CC(=O)N[C@@H](C)CO)n1cc[nH+]c1 ZINC000569007947 326386330 /nfs/dbraw/zinc/38/63/30/326386330.db2.gz DYTAFWYAKUVPIH-DTWKUNHWSA-N 1 2 211.265 0.331 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CCC1)NC1CC1 ZINC000569219944 326395785 /nfs/dbraw/zinc/39/57/85/326395785.db2.gz AYNTVESCLBJJJF-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CCC1)NC1CC1 ZINC000569219944 326395786 /nfs/dbraw/zinc/39/57/86/326395786.db2.gz AYNTVESCLBJJJF-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC1(CO)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682517030 487975360 /nfs/dbraw/zinc/97/53/60/487975360.db2.gz VJFGASUUEXFXTM-VIFPVBQESA-N 1 2 235.287 0.087 20 0 BCADLO O=C(NCC1(CO)CC1)c1ccc2[nH+]ccn2c1 ZINC000675612229 487976323 /nfs/dbraw/zinc/97/63/23/487976323.db2.gz VBKMPUPVAXMRQU-UHFFFAOYSA-N 1 2 245.282 0.837 20 0 BCADLO Cn1cnnc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682532503 487978360 /nfs/dbraw/zinc/97/83/60/487978360.db2.gz YKMOHXGQZAWZIN-MRVPVSSYSA-N 1 2 246.274 0.213 20 0 BCADLO O[C@H]1C[N@H+](C[C@H]2CCOC2)CC(F)(F)C1 ZINC000682543951 487982473 /nfs/dbraw/zinc/98/24/73/487982473.db2.gz MAXMJPVASCRDKY-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@H]1C[N@@H+](C[C@H]2CCOC2)CC(F)(F)C1 ZINC000682543951 487982475 /nfs/dbraw/zinc/98/24/75/487982475.db2.gz MAXMJPVASCRDKY-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO O[C@@H]1C[N@H+](CC2(O)CCCC2)CC(F)(F)C1 ZINC000682545065 487983423 /nfs/dbraw/zinc/98/34/23/487983423.db2.gz ZRPNOADMOCXBCX-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO O[C@@H]1C[N@@H+](CC2(O)CCCC2)CC(F)(F)C1 ZINC000682545065 487983427 /nfs/dbraw/zinc/98/34/27/487983427.db2.gz ZRPNOADMOCXBCX-VIFPVBQESA-N 1 2 235.274 0.993 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC2CC2)C[C@H]1C ZINC000677153543 487984575 /nfs/dbraw/zinc/98/45/75/487984575.db2.gz WINUINAFFKPTOD-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC2CC2)C[C@H]1C ZINC000677153543 487984578 /nfs/dbraw/zinc/98/45/78/487984578.db2.gz WINUINAFFKPTOD-SNVBAGLBSA-N 1 2 246.376 0.752 20 0 BCADLO O[C@@H]1CN(Cc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000682546711 487984755 /nfs/dbraw/zinc/98/47/55/487984755.db2.gz MVVJDJCEWHZYEJ-ZETCQYMHSA-N 1 2 217.219 0.612 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158436 487986650 /nfs/dbraw/zinc/98/66/50/487986650.db2.gz ZEBKLEDXFXKMCJ-QMMMGPOBSA-N 1 2 223.276 0.085 20 0 BCADLO CCN1CCC[N@H+](Cc2cn[nH]c2)CC1=O ZINC000682557404 487988633 /nfs/dbraw/zinc/98/86/33/487988633.db2.gz TVDBKOHARHYSMD-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CCN1CCC[N@@H+](Cc2cn[nH]c2)CC1=O ZINC000682557404 487988641 /nfs/dbraw/zinc/98/86/41/487988641.db2.gz TVDBKOHARHYSMD-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CN(C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000685003306 487988974 /nfs/dbraw/zinc/98/89/74/487988974.db2.gz XEXFPQRYIIZIBL-UHFFFAOYSA-N 1 2 208.265 0.898 20 0 BCADLO CN(C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000685003306 487988980 /nfs/dbraw/zinc/98/89/80/487988980.db2.gz XEXFPQRYIIZIBL-UHFFFAOYSA-N 1 2 208.265 0.898 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@H](O)CC(F)(F)C1 ZINC000682587568 487994996 /nfs/dbraw/zinc/99/49/96/487994996.db2.gz ARDQHKDQZZJVBI-MRVPVSSYSA-N 1 2 245.229 0.112 20 0 BCADLO CC(C)(C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000084081915 487996598 /nfs/dbraw/zinc/99/65/98/487996598.db2.gz UVNCRMKQJXQNFK-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO CC(C)(C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000084081915 487996601 /nfs/dbraw/zinc/99/66/01/487996601.db2.gz UVNCRMKQJXQNFK-UHFFFAOYSA-N 1 2 231.321 0.875 20 0 BCADLO C[C@@H]1OCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665709415 487996321 /nfs/dbraw/zinc/99/63/21/487996321.db2.gz KBTQXAPJXZLFGR-YUMQZZPRSA-N 1 2 236.275 0.870 20 0 BCADLO C[C@@H]1OCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665709415 487996324 /nfs/dbraw/zinc/99/63/24/487996324.db2.gz KBTQXAPJXZLFGR-YUMQZZPRSA-N 1 2 236.275 0.870 20 0 BCADLO CC1(C)OC[C@H]2C[C@]21C(=O)NCc1[nH]cc[nH+]1 ZINC000668604320 487997413 /nfs/dbraw/zinc/99/74/13/487997413.db2.gz NPOYZTDWPPKSQX-PRHODGIISA-N 1 2 235.287 0.841 20 0 BCADLO Cc1csc(C[NH+]2CCC(O)(CO)CC2)n1 ZINC000313625542 487997534 /nfs/dbraw/zinc/99/75/34/487997534.db2.gz KJVHGLSSSDZARZ-UHFFFAOYSA-N 1 2 242.344 0.771 20 0 BCADLO O=S(=O)(C[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000084081896 487997834 /nfs/dbraw/zinc/99/78/34/487997834.db2.gz BWCDKICSEAMJBH-SECBINFHSA-N 1 2 245.304 0.008 20 0 BCADLO O=S(=O)(C[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000084081896 487997835 /nfs/dbraw/zinc/99/78/35/487997835.db2.gz BWCDKICSEAMJBH-SECBINFHSA-N 1 2 245.304 0.008 20 0 BCADLO Cc1cc(N[C@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000396694476 487998431 /nfs/dbraw/zinc/99/84/31/487998431.db2.gz QQSSNQBBGVWLRG-SECBINFHSA-N 1 2 220.276 0.866 20 0 BCADLO CCN1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000677197248 488000309 /nfs/dbraw/zinc/00/03/09/488000309.db2.gz YERSEMIBXDVRIM-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO CCN1CC[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000677197248 488000316 /nfs/dbraw/zinc/00/03/16/488000316.db2.gz YERSEMIBXDVRIM-QWRGUYRKSA-N 1 2 227.352 0.489 20 0 BCADLO CCN1CC[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000677197249 488001389 /nfs/dbraw/zinc/00/13/89/488001389.db2.gz YERSEMIBXDVRIM-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO CCN1CC[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000677197249 488001394 /nfs/dbraw/zinc/00/13/94/488001394.db2.gz YERSEMIBXDVRIM-WDEREUQCSA-N 1 2 227.352 0.489 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000602917581 488002994 /nfs/dbraw/zinc/00/29/94/488002994.db2.gz NYBZBQFMFVQWHJ-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO CCN(C#N)CC[N@H+]1CCO[C@@](C)(COC)C1 ZINC000602917581 488003001 /nfs/dbraw/zinc/00/30/01/488003001.db2.gz NYBZBQFMFVQWHJ-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO NC(=O)c1csc(C[NH2+]C2CSC2)n1 ZINC000668610471 488004879 /nfs/dbraw/zinc/00/48/79/488004879.db2.gz WEELGRZEHVCULB-UHFFFAOYSA-N 1 2 229.330 0.447 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)sn1 ZINC000682672302 488008029 /nfs/dbraw/zinc/00/80/29/488008029.db2.gz ARKVHYADKHKTBV-VIFPVBQESA-N 1 2 241.316 0.138 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)sn1 ZINC000682672302 488008033 /nfs/dbraw/zinc/00/80/33/488008033.db2.gz ARKVHYADKHKTBV-VIFPVBQESA-N 1 2 241.316 0.138 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCS[C@H](C)C2)C1=O ZINC000682676708 488011490 /nfs/dbraw/zinc/01/14/90/488011490.db2.gz DJOLEJOWHGFCEJ-RKDXNWHRSA-N 1 2 230.333 0.586 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCS[C@H](C)C2)C1=O ZINC000682676708 488011493 /nfs/dbraw/zinc/01/14/93/488011493.db2.gz DJOLEJOWHGFCEJ-RKDXNWHRSA-N 1 2 230.333 0.586 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC([C@@H](C)O)CC2)C1=O ZINC000682676671 488012184 /nfs/dbraw/zinc/01/21/84/488012184.db2.gz BYJSEGLVDULGJB-KOLCDFICSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@@H]([NH+]2CCC([C@H](C)O)CC2)C1=O ZINC000682676670 488012112 /nfs/dbraw/zinc/01/21/12/488012112.db2.gz BYJSEGLVDULGJB-GXSJLCMTSA-N 1 2 242.319 0.242 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C#N)cnn1 ZINC000396927429 488020896 /nfs/dbraw/zinc/02/08/96/488020896.db2.gz SCEMLNUZPIIJCI-VIFPVBQESA-N 1 2 228.259 1.045 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682776441 488037228 /nfs/dbraw/zinc/03/72/28/488037228.db2.gz NILGSRGZBSXJGL-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682776441 488037231 /nfs/dbraw/zinc/03/72/31/488037231.db2.gz NILGSRGZBSXJGL-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO CCc1nc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000355086697 488039481 /nfs/dbraw/zinc/03/94/81/488039481.db2.gz KKLVUQDLPNUJMQ-UWVGGRQHSA-N 1 2 237.351 0.892 20 0 BCADLO CCc1nc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000355086697 488039483 /nfs/dbraw/zinc/03/94/83/488039483.db2.gz KKLVUQDLPNUJMQ-UWVGGRQHSA-N 1 2 237.351 0.892 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnns1 ZINC000682825033 488047325 /nfs/dbraw/zinc/04/73/25/488047325.db2.gz OIQLQPXDYGRQTG-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cnns1 ZINC000682825033 488047329 /nfs/dbraw/zinc/04/73/29/488047329.db2.gz OIQLQPXDYGRQTG-SSDOTTSWSA-N 1 2 226.305 0.961 20 0 BCADLO CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1=O ZINC000670325553 488049343 /nfs/dbraw/zinc/04/93/43/488049343.db2.gz PIUKBWHTZPEDEN-IONNQARKSA-N 1 2 238.291 0.649 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000526013084 488049868 /nfs/dbraw/zinc/04/98/68/488049868.db2.gz HNLBLHXPILZKSE-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000526013084 488049881 /nfs/dbraw/zinc/04/98/81/488049881.db2.gz HNLBLHXPILZKSE-LBPRGKRZSA-N 1 2 237.303 0.716 20 0 BCADLO CO[C@]1(CO)CCC[N@H+](Cc2csnn2)C1 ZINC000401706989 488049940 /nfs/dbraw/zinc/04/99/40/488049940.db2.gz FJVXUXQDVZBMSM-SNVBAGLBSA-N 1 2 243.332 0.511 20 0 BCADLO CO[C@]1(CO)CCC[N@@H+](Cc2csnn2)C1 ZINC000401706989 488049947 /nfs/dbraw/zinc/04/99/47/488049947.db2.gz FJVXUXQDVZBMSM-SNVBAGLBSA-N 1 2 243.332 0.511 20 0 BCADLO CCN1OC[C@H]([N@H+](C)CCc2ccncc2)C1=O ZINC000682842320 488052714 /nfs/dbraw/zinc/05/27/14/488052714.db2.gz HORVBOGNKRQVHO-LBPRGKRZSA-N 1 2 249.314 0.718 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)CCc2ccncc2)C1=O ZINC000682842320 488052720 /nfs/dbraw/zinc/05/27/20/488052720.db2.gz HORVBOGNKRQVHO-LBPRGKRZSA-N 1 2 249.314 0.718 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CCc2ccccn2)C1=O ZINC000682842563 488052828 /nfs/dbraw/zinc/05/28/28/488052828.db2.gz MVNJSQQWYNFYQO-GFCCVEGCSA-N 1 2 249.314 0.718 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CCc2ccccn2)C1=O ZINC000682842563 488052832 /nfs/dbraw/zinc/05/28/32/488052832.db2.gz MVNJSQQWYNFYQO-GFCCVEGCSA-N 1 2 249.314 0.718 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1cnco1 ZINC000677502343 488053941 /nfs/dbraw/zinc/05/39/41/488053941.db2.gz AUXPVDONPNECGY-UHFFFAOYSA-N 1 2 220.232 0.691 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)NC1CC1 ZINC000670079262 488062054 /nfs/dbraw/zinc/06/20/54/488062054.db2.gz FWNXAGGMRQQZDI-UHFFFAOYSA-N 1 2 220.276 0.853 20 0 BCADLO COCC[N@H+](CCO)Cc1coc(C)n1 ZINC000310525667 488069716 /nfs/dbraw/zinc/06/97/16/488069716.db2.gz XWWNJQJOKXEMPA-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO COCC[N@@H+](CCO)Cc1coc(C)n1 ZINC000310525667 488069723 /nfs/dbraw/zinc/06/97/23/488069723.db2.gz XWWNJQJOKXEMPA-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO CO[C@@]1(CO)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000401870107 488071364 /nfs/dbraw/zinc/07/13/64/488071364.db2.gz HYLVTUAPVVTLDK-LBPRGKRZSA-N 1 2 237.303 0.763 20 0 BCADLO CO[C@]1(CO)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000401914343 488073021 /nfs/dbraw/zinc/07/30/21/488073021.db2.gz VLQYNRLFOXKSLT-GFCCVEGCSA-N 1 2 237.303 0.763 20 0 BCADLO CCc1cc(NC(=O)[C@H]2CSC[NH2+]2)n[nH]1 ZINC000129117026 488075381 /nfs/dbraw/zinc/07/53/81/488075381.db2.gz YSJIQRBGWICDDH-SSDOTTSWSA-N 1 2 226.305 0.573 20 0 BCADLO CC[C@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOC1 ZINC000682980745 488078258 /nfs/dbraw/zinc/07/82/58/488078258.db2.gz YCZXZBRYAKYLKE-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000682980745 488078263 /nfs/dbraw/zinc/07/82/63/488078263.db2.gz YCZXZBRYAKYLKE-JQWIXIFHSA-N 1 2 242.319 0.002 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](O)C1CC1 ZINC000667680303 488084134 /nfs/dbraw/zinc/08/41/34/488084134.db2.gz CMKYRYMNHHWDOA-JTQLQIEISA-N 1 2 222.244 0.800 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@](C)(O)C1CC1 ZINC000311211408 488091451 /nfs/dbraw/zinc/09/14/51/488091451.db2.gz LKCRCOFVCABOPM-LBPRGKRZSA-N 1 2 247.302 0.936 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@](C)(O)C1CC1 ZINC000311211407 488091556 /nfs/dbraw/zinc/09/15/56/488091556.db2.gz LKCRCOFVCABOPM-GFCCVEGCSA-N 1 2 247.302 0.936 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000683013638 488091998 /nfs/dbraw/zinc/09/19/98/488091998.db2.gz KLWYBAUWSLKCTD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000683013638 488092004 /nfs/dbraw/zinc/09/20/04/488092004.db2.gz KLWYBAUWSLKCTD-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO O=C(Nc1cncnc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682531661 488095817 /nfs/dbraw/zinc/09/58/17/488095817.db2.gz SCXKYNKYSBRJRQ-SECBINFHSA-N 1 2 243.270 0.874 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000682531555 488096157 /nfs/dbraw/zinc/09/61/57/488096157.db2.gz OHIYVHMFYVBACH-NKWVEPMBSA-N 1 2 231.250 0.858 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000682531555 488096162 /nfs/dbraw/zinc/09/61/62/488096162.db2.gz OHIYVHMFYVBACH-NKWVEPMBSA-N 1 2 231.250 0.858 20 0 BCADLO CN(Cc1c[nH+]c2n1CCC2)[C@@H]1CCNC1=O ZINC000667710970 488096941 /nfs/dbraw/zinc/09/69/41/488096941.db2.gz UCOIRTWYEPZDKU-SNVBAGLBSA-N 1 2 234.303 0.150 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000677714798 488097865 /nfs/dbraw/zinc/09/78/65/488097865.db2.gz ISYWWLILQSDWAN-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@H]2C)cn1 ZINC000677714798 488097872 /nfs/dbraw/zinc/09/78/72/488097872.db2.gz ISYWWLILQSDWAN-SECBINFHSA-N 1 2 234.303 0.495 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000667710520 488097705 /nfs/dbraw/zinc/09/77/05/488097705.db2.gz GVXACYBWYZEIDG-NSHDSACASA-N 1 2 248.330 0.618 20 0 BCADLO Cn1ncc(C2CC2)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000667710520 488097712 /nfs/dbraw/zinc/09/77/12/488097712.db2.gz GVXACYBWYZEIDG-NSHDSACASA-N 1 2 248.330 0.618 20 0 BCADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](CO)O1 ZINC000230007821 488105555 /nfs/dbraw/zinc/10/55/55/488105555.db2.gz XTCMWQLYJRMGGQ-KOLCDFICSA-N 1 2 238.287 0.160 20 0 BCADLO CC[C@H](C(N)=O)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677736605 488114474 /nfs/dbraw/zinc/11/44/74/488114474.db2.gz UUBAEXFZCBBCPL-SSDOTTSWSA-N 1 2 218.247 0.981 20 0 BCADLO Cn1c[nH+]cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000682549569 488118261 /nfs/dbraw/zinc/11/82/61/488118261.db2.gz ZKCJHSHKNSDUGJ-VIFPVBQESA-N 1 2 231.246 0.622 20 0 BCADLO COCc1nc(C[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000683146007 488120543 /nfs/dbraw/zinc/12/05/43/488120543.db2.gz FOZMNEVDLHAJPP-GZMMTYOYSA-N 1 2 241.291 0.873 20 0 BCADLO CC(C)(O)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683180004 488124855 /nfs/dbraw/zinc/12/48/55/488124855.db2.gz SGNQVMXXHXQXET-UHFFFAOYSA-N 1 2 236.271 0.442 20 0 BCADLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)nn1C ZINC000683223599 488132160 /nfs/dbraw/zinc/13/21/60/488132160.db2.gz PTGMYPYBFJZYCU-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)nn1C ZINC000683223599 488132166 /nfs/dbraw/zinc/13/21/66/488132166.db2.gz PTGMYPYBFJZYCU-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(COC)o1 ZINC000668789861 487539980 /nfs/dbraw/zinc/53/99/80/487539980.db2.gz BLIRXTZXPQNASU-UHFFFAOYSA-N 1 2 226.276 0.604 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(COC)o1 ZINC000668789861 487539983 /nfs/dbraw/zinc/53/99/83/487539983.db2.gz BLIRXTZXPQNASU-UHFFFAOYSA-N 1 2 226.276 0.604 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000668790146 487541208 /nfs/dbraw/zinc/54/12/08/487541208.db2.gz IOFBLWPMKZZMLN-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000668790146 487541214 /nfs/dbraw/zinc/54/12/14/487541214.db2.gz IOFBLWPMKZZMLN-UHFFFAOYSA-N 1 2 224.308 0.642 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000668790633 487542895 /nfs/dbraw/zinc/54/28/95/487542895.db2.gz QTPZMZGDFHXUSC-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000668790633 487542898 /nfs/dbraw/zinc/54/28/98/487542898.db2.gz QTPZMZGDFHXUSC-UHFFFAOYSA-N 1 2 246.314 0.751 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791435 487546170 /nfs/dbraw/zinc/54/61/70/487546170.db2.gz LLXFYZPSGQLKAE-UHFFFAOYSA-N 1 2 232.291 0.703 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668791435 487546173 /nfs/dbraw/zinc/54/61/73/487546173.db2.gz LLXFYZPSGQLKAE-UHFFFAOYSA-N 1 2 232.291 0.703 20 0 BCADLO CSc1nc(NC(=O)[C@H](C)[NH+](C)C)n[nH]1 ZINC000674287756 487548926 /nfs/dbraw/zinc/54/89/26/487548926.db2.gz BGDLPDLGAMATDZ-YFKPBYRVSA-N 1 2 229.309 0.415 20 0 BCADLO CSc1n[nH]c(NC(=O)[C@H](C)[NH+](C)C)n1 ZINC000674287756 487548930 /nfs/dbraw/zinc/54/89/30/487548930.db2.gz BGDLPDLGAMATDZ-YFKPBYRVSA-N 1 2 229.309 0.415 20 0 BCADLO CN(C(=O)[C@H]1CSC[NH2+]1)c1nccs1 ZINC000074891602 487549910 /nfs/dbraw/zinc/54/99/10/487549910.db2.gz RMEWRYUEAGMIKG-ZCFIWIBFSA-N 1 2 229.330 0.768 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000685461864 487530831 /nfs/dbraw/zinc/53/08/31/487530831.db2.gz WTFGXKHUZRMWLJ-LLVKDONJSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000685461864 487530833 /nfs/dbraw/zinc/53/08/33/487530833.db2.gz WTFGXKHUZRMWLJ-LLVKDONJSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1cc(C[N@@H+]2CCSC[C@H]2CO)nn1C ZINC000680072727 487531742 /nfs/dbraw/zinc/53/17/42/487531742.db2.gz SGRSKCFGUBBWSI-LLVKDONJSA-N 1 2 241.360 0.638 20 0 BCADLO Cc1cc(C[N@H+]2CCSC[C@H]2CO)nn1C ZINC000680072727 487531745 /nfs/dbraw/zinc/53/17/45/487531745.db2.gz SGRSKCFGUBBWSI-LLVKDONJSA-N 1 2 241.360 0.638 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000680075120 487533075 /nfs/dbraw/zinc/53/30/75/487533075.db2.gz XXIPLCUBUGWIAY-YUMQZZPRSA-N 1 2 227.333 0.913 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000680075120 487533079 /nfs/dbraw/zinc/53/30/79/487533079.db2.gz XXIPLCUBUGWIAY-YUMQZZPRSA-N 1 2 227.333 0.913 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1cn[nH]c1 ZINC000673927159 487482147 /nfs/dbraw/zinc/48/21/47/487482147.db2.gz PGYAWZPYIQSIJQ-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1cn[nH]c1 ZINC000673927159 487482151 /nfs/dbraw/zinc/48/21/51/487482151.db2.gz PGYAWZPYIQSIJQ-UHFFFAOYSA-N 1 2 208.265 0.120 20 0 BCADLO CCc1cc(N(C)C[C@@H](C)C(=O)NC)nc[nH+]1 ZINC000673931331 487483080 /nfs/dbraw/zinc/48/30/80/487483080.db2.gz CWEAIHQIIQXFNB-SECBINFHSA-N 1 2 236.319 0.857 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1cc[nH]n1)CC2 ZINC000679908458 487484447 /nfs/dbraw/zinc/48/44/47/487484447.db2.gz WRTZNMBSCJRHQT-UHFFFAOYSA-N 1 2 245.286 0.500 20 0 BCADLO Cc1c(C(=O)NCc2[nH+]ccn2C)ccn1C ZINC000684966014 487476760 /nfs/dbraw/zinc/47/67/60/487476760.db2.gz MZYKEWFZEQGBFL-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C(N)=O ZINC000061640986 487477174 /nfs/dbraw/zinc/47/71/74/487477174.db2.gz LJSNVIHXTAULOV-SNVBAGLBSA-N 1 2 244.298 0.836 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)N(C)C1CC1)CC2 ZINC000679868153 487477387 /nfs/dbraw/zinc/47/73/87/487477387.db2.gz RWCUKEMGSBGALA-UHFFFAOYSA-N 1 2 248.330 0.628 20 0 BCADLO CC(=O)NCCCN1CCn2cc(C)[nH+]c2C1 ZINC000679869260 487477986 /nfs/dbraw/zinc/47/79/86/487477986.db2.gz JPGXOEKGYGFQOT-UHFFFAOYSA-N 1 2 236.319 0.533 20 0 BCADLO CS(=O)(=O)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000061680269 487478190 /nfs/dbraw/zinc/47/81/90/487478190.db2.gz GSHPWBXXUJVFEU-UHFFFAOYSA-N 1 2 243.288 0.037 20 0 BCADLO Cc1cn2c([nH+]1)CN(Cc1nc(C)no1)CC2 ZINC000679870029 487478896 /nfs/dbraw/zinc/47/88/96/487478896.db2.gz XGCKGSCUDHXLBR-UHFFFAOYSA-N 1 2 233.275 0.899 20 0 BCADLO CCOC[C@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000679873636 487479040 /nfs/dbraw/zinc/47/90/40/487479040.db2.gz YVTRIAKODRKWCL-LLVKDONJSA-N 1 2 239.319 0.405 20 0 BCADLO O=C(CN1CCCCC1=O)NCc1c[nH+]c[nH]1 ZINC000673935947 487485470 /nfs/dbraw/zinc/48/54/70/487485470.db2.gz SVYFBGQSDGBMGS-UHFFFAOYSA-N 1 2 236.275 0.038 20 0 BCADLO O=C(CN1CCCCC1=O)NCc1c[nH]c[nH+]1 ZINC000673935947 487485475 /nfs/dbraw/zinc/48/54/75/487485475.db2.gz SVYFBGQSDGBMGS-UHFFFAOYSA-N 1 2 236.275 0.038 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000685002001 487489092 /nfs/dbraw/zinc/48/90/92/487489092.db2.gz QIVYKJOIZKYOPU-VIFPVBQESA-N 1 2 240.307 0.338 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000685002001 487489094 /nfs/dbraw/zinc/48/90/94/487489094.db2.gz QIVYKJOIZKYOPU-VIFPVBQESA-N 1 2 240.307 0.338 20 0 BCADLO CCNC(=O)C[N@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000685000729 487489448 /nfs/dbraw/zinc/48/94/48/487489448.db2.gz PXKKENRMBLUBOQ-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO CCNC(=O)C[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000685000729 487489451 /nfs/dbraw/zinc/48/94/51/487489451.db2.gz PXKKENRMBLUBOQ-MRVPVSSYSA-N 1 2 242.241 0.368 20 0 BCADLO C[C@@H]1COCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000685003741 487490338 /nfs/dbraw/zinc/49/03/38/487490338.db2.gz NEIHBOWJACXNHJ-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[C@@H]1COCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000685003741 487490341 /nfs/dbraw/zinc/49/03/41/487490341.db2.gz NEIHBOWJACXNHJ-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C[C@H](O)C1CC1 ZINC000685036926 487493656 /nfs/dbraw/zinc/49/36/56/487493656.db2.gz WBCTVNHYZBMRHZ-JTQLQIEISA-N 1 2 242.298 0.450 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C[C@H](O)C1CC1 ZINC000685036926 487493658 /nfs/dbraw/zinc/49/36/58/487493658.db2.gz WBCTVNHYZBMRHZ-JTQLQIEISA-N 1 2 242.298 0.450 20 0 BCADLO C[C@H]1C[N@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000674007600 487497116 /nfs/dbraw/zinc/49/71/16/487497116.db2.gz MTSWOPPPJIGDOZ-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1C[N@@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000674007600 487497123 /nfs/dbraw/zinc/49/71/23/487497123.db2.gz MTSWOPPPJIGDOZ-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC1(CCO)CC1 ZINC000455031084 487499220 /nfs/dbraw/zinc/49/92/20/487499220.db2.gz FSFABTDSYFCEIJ-UHFFFAOYSA-N 1 2 235.287 0.848 20 0 BCADLO C[C@]1(O)CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000674012113 487499780 /nfs/dbraw/zinc/49/97/80/487499780.db2.gz WSKVKDKKLLVICS-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO C[C@]1(O)CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000674012113 487499789 /nfs/dbraw/zinc/49/97/89/487499789.db2.gz WSKVKDKKLLVICS-NSHDSACASA-N 1 2 223.276 0.904 20 0 BCADLO Cc1ccncc1[C@H](C)[NH2+]Cc1nnnn1C ZINC000679942885 487500039 /nfs/dbraw/zinc/50/00/39/487500039.db2.gz SIFZHEJOCRZHCM-VIFPVBQESA-N 1 2 232.291 0.764 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000680007814 487514966 /nfs/dbraw/zinc/51/49/66/487514966.db2.gz RYCWHDSODYTTEM-WDEREUQCSA-N 1 2 239.319 0.939 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000680014647 487518030 /nfs/dbraw/zinc/51/80/30/487518030.db2.gz ZUCBSIVLFRCUAD-ZETCQYMHSA-N 1 2 213.306 0.667 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000680014647 487518031 /nfs/dbraw/zinc/51/80/31/487518031.db2.gz ZUCBSIVLFRCUAD-ZETCQYMHSA-N 1 2 213.306 0.667 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685471142 487534892 /nfs/dbraw/zinc/53/48/92/487534892.db2.gz OVAOSVWMVQTJLT-KOLCDFICSA-N 1 2 225.292 0.381 20 0 BCADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685471142 487534896 /nfs/dbraw/zinc/53/48/96/487534896.db2.gz OVAOSVWMVQTJLT-KOLCDFICSA-N 1 2 225.292 0.381 20 0 BCADLO O=C(CCn1cccc1)NCc1c[nH+]c[nH]1 ZINC000674326189 487560219 /nfs/dbraw/zinc/56/02/19/487560219.db2.gz HSMHUWCRSAPOSI-UHFFFAOYSA-N 1 2 218.260 0.918 20 0 BCADLO O=C(CCn1cccc1)NCc1c[nH]c[nH+]1 ZINC000674326189 487560225 /nfs/dbraw/zinc/56/02/25/487560225.db2.gz HSMHUWCRSAPOSI-UHFFFAOYSA-N 1 2 218.260 0.918 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1CCCOC1 ZINC000681358307 487783712 /nfs/dbraw/zinc/78/37/12/487783712.db2.gz XEJOTXBOEWNVOH-SNVBAGLBSA-N 1 2 249.314 0.935 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)C[C@H]1CCOC1 ZINC000681358057 487783936 /nfs/dbraw/zinc/78/39/36/487783936.db2.gz MXDBZQXPMDTGHM-SNVBAGLBSA-N 1 2 249.314 0.935 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000675952576 487795106 /nfs/dbraw/zinc/79/51/06/487795106.db2.gz BBUKKJIEFTYFQL-JQWIXIFHSA-N 1 2 248.330 0.868 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000675952576 487795111 /nfs/dbraw/zinc/79/51/11/487795111.db2.gz BBUKKJIEFTYFQL-JQWIXIFHSA-N 1 2 248.330 0.868 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CO[C@@H](C)C1)CC2 ZINC000682233151 487932434 /nfs/dbraw/zinc/93/24/34/487932434.db2.gz YTCMABFAMHUFAJ-WDEREUQCSA-N 1 2 249.314 0.959 20 0 BCADLO Cn1cc[nH+]c1CNc1ncnc2nccnc21 ZINC000677002676 487953933 /nfs/dbraw/zinc/95/39/33/487953933.db2.gz UTRLPSCEOIHVIQ-UHFFFAOYSA-N 1 2 241.258 0.765 20 0 BCADLO CCOC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000668603126 487995938 /nfs/dbraw/zinc/99/59/38/487995938.db2.gz CBQJBINTVFDPFY-UHFFFAOYSA-N 1 2 223.276 0.985 20 0 BCADLO COC[C@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674764833 488149468 /nfs/dbraw/zinc/14/94/68/488149468.db2.gz MLQLSGNEMCQZTJ-LBPRGKRZSA-N 1 2 249.270 0.670 20 0 BCADLO CC(C)[C@@](C)([NH2+]Cc1ccn[nH]1)C(N)=O ZINC000380051474 488170455 /nfs/dbraw/zinc/17/04/55/488170455.db2.gz XENOCNSXYFKKLC-SNVBAGLBSA-N 1 2 210.281 0.399 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1[nH]c[nH+]c1C ZINC000380223132 488180525 /nfs/dbraw/zinc/18/05/25/488180525.db2.gz XZKTZGIGHIOWJA-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cnn2c1CCC2 ZINC000668011840 488183987 /nfs/dbraw/zinc/18/39/87/488183987.db2.gz LPLLMONXHWJSEF-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668011840 488183991 /nfs/dbraw/zinc/18/39/91/488183991.db2.gz LPLLMONXHWJSEF-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO CCCn1cc(C(=O)NCc2[nH]c[nH+]c2C)nn1 ZINC000678047621 488184513 /nfs/dbraw/zinc/18/45/13/488184513.db2.gz HLMCRUYZCGDJLI-UHFFFAOYSA-N 1 2 248.290 0.650 20 0 BCADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)nn1 ZINC000678079274 488193230 /nfs/dbraw/zinc/19/32/30/488193230.db2.gz UAKDXFGIADVXMG-UHFFFAOYSA-N 1 2 245.286 0.757 20 0 BCADLO CCC[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000077930818 488195239 /nfs/dbraw/zinc/19/52/39/488195239.db2.gz SSPWZSWLLJQAHI-NSHDSACASA-N 1 2 243.351 0.806 20 0 BCADLO Cc1cc(NC(=O)NC[C@@H](C)CO)c(C)c[nH+]1 ZINC000678099145 488198352 /nfs/dbraw/zinc/19/83/52/488198352.db2.gz XWUIFPSYDMZQGN-MRVPVSSYSA-N 1 2 237.303 0.870 20 0 BCADLO c1n[nH]cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000678121193 488201028 /nfs/dbraw/zinc/20/10/28/488201028.db2.gz VRSBPLNNTLXQCN-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO O=C([C@@H]1CC(=O)N1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668091094 488201304 /nfs/dbraw/zinc/20/13/04/488201304.db2.gz ZYXQNSGBJVZFFN-BDAKNGLRSA-N 1 2 248.286 0.004 20 0 BCADLO CCNC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678127705 488201573 /nfs/dbraw/zinc/20/15/73/488201573.db2.gz HHMLSVAOZFURTF-UHFFFAOYSA-N 1 2 237.307 0.257 20 0 BCADLO C[N@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000678133234 488202712 /nfs/dbraw/zinc/20/27/12/488202712.db2.gz WJBPHXCNDJCLCX-UHFFFAOYSA-N 1 2 218.260 0.480 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000678133234 488202714 /nfs/dbraw/zinc/20/27/14/488202714.db2.gz WJBPHXCNDJCLCX-UHFFFAOYSA-N 1 2 218.260 0.480 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(CO)o1 ZINC000678139233 488204174 /nfs/dbraw/zinc/20/41/74/488204174.db2.gz NMKXQPLUUXDPAQ-UHFFFAOYSA-N 1 2 240.303 0.682 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(CO)o1 ZINC000678139233 488204176 /nfs/dbraw/zinc/20/41/76/488204176.db2.gz NMKXQPLUUXDPAQ-UHFFFAOYSA-N 1 2 240.303 0.682 20 0 BCADLO Cn1cnc(=O)n1Cc1[nH+]ccn1C(F)F ZINC000683738192 488214807 /nfs/dbraw/zinc/21/48/07/488214807.db2.gz NNYKKIQFDDHLOV-UHFFFAOYSA-N 1 2 229.190 0.222 20 0 BCADLO CCCn1cc(C[N@H+](C)CC(=O)NCC)cn1 ZINC000678192792 488215727 /nfs/dbraw/zinc/21/57/27/488215727.db2.gz PWPZUWFGVAJYAK-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC(=O)NCC)cn1 ZINC000678192792 488215730 /nfs/dbraw/zinc/21/57/30/488215730.db2.gz PWPZUWFGVAJYAK-UHFFFAOYSA-N 1 2 238.335 0.861 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000678238073 488217223 /nfs/dbraw/zinc/21/72/23/488217223.db2.gz QKQYYQDIDIXOMO-SNVBAGLBSA-N 1 2 222.292 0.366 20 0 BCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000678238073 488217226 /nfs/dbraw/zinc/21/72/26/488217226.db2.gz QKQYYQDIDIXOMO-SNVBAGLBSA-N 1 2 222.292 0.366 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cn[nH]c2)[C@H](C)C1 ZINC000678270694 488232855 /nfs/dbraw/zinc/23/28/55/488232855.db2.gz JRSHRZHLCYSTEL-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cn[nH]c2)[C@H](C)C1 ZINC000678270694 488232856 /nfs/dbraw/zinc/23/28/56/488232856.db2.gz JRSHRZHLCYSTEL-SECBINFHSA-N 1 2 222.292 0.462 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275779 488235229 /nfs/dbraw/zinc/23/52/29/488235229.db2.gz BGAADJGUJGWLSV-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275779 488235230 /nfs/dbraw/zinc/23/52/30/488235230.db2.gz BGAADJGUJGWLSV-UHFFFAOYSA-N 1 2 217.276 1.000 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)cn1 ZINC000683897377 488239575 /nfs/dbraw/zinc/23/95/75/488239575.db2.gz APKBZYYPFKDEOW-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)cn1 ZINC000683897377 488239576 /nfs/dbraw/zinc/23/95/76/488239576.db2.gz APKBZYYPFKDEOW-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672148211 488240999 /nfs/dbraw/zinc/24/09/99/488240999.db2.gz HQOKGUSUXAHOSW-PWSUYJOCSA-N 1 2 249.314 0.739 20 0 BCADLO c1n[nH]cc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000678337095 488241558 /nfs/dbraw/zinc/24/15/58/488241558.db2.gz BACAMYXVHSMDDG-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO c1n[nH]cc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000678337095 488241562 /nfs/dbraw/zinc/24/15/62/488241562.db2.gz BACAMYXVHSMDDG-NEPJUHHUSA-N 1 2 237.303 0.790 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)CO1 ZINC000672149897 488241853 /nfs/dbraw/zinc/24/18/53/488241853.db2.gz ZWFNNGFJZCWPQG-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCN(C)C(=O)C2)c[nH+]1 ZINC000683904610 488242504 /nfs/dbraw/zinc/24/25/04/488242504.db2.gz PXTIKMUTGKRORT-QMMMGPOBSA-N 1 2 236.275 0.069 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CCN(C)C(=O)C2)c[nH+]1 ZINC000683904604 488242602 /nfs/dbraw/zinc/24/26/02/488242602.db2.gz PXTIKMUTGKRORT-MRVPVSSYSA-N 1 2 236.275 0.069 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCOC1 ZINC000672154893 488242745 /nfs/dbraw/zinc/24/27/45/488242745.db2.gz PANNNZJFTZNEED-ZJUUUORDSA-N 1 2 235.287 0.351 20 0 BCADLO CC(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155599 488242802 /nfs/dbraw/zinc/24/28/02/488242802.db2.gz CLYXVIMZVSHWFJ-SECBINFHSA-N 1 2 207.277 0.970 20 0 BCADLO CC[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000678345208 488244067 /nfs/dbraw/zinc/24/40/67/488244067.db2.gz UJOQEOUJZBHBDU-JTQLQIEISA-N 1 2 225.292 0.550 20 0 BCADLO C[C@H](c1nncn1C)[N@H+](C)C[C@H](O)C1CC1 ZINC000672545295 488258917 /nfs/dbraw/zinc/25/89/17/488258917.db2.gz LPATZVMAYQOSQX-SCZZXKLOSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000672545295 488258919 /nfs/dbraw/zinc/25/89/19/488258919.db2.gz LPATZVMAYQOSQX-SCZZXKLOSA-N 1 2 224.308 0.579 20 0 BCADLO C[C@@H](O)CCCNC(=O)CCCn1cc[nH+]c1 ZINC000684064789 488259131 /nfs/dbraw/zinc/25/91/31/488259131.db2.gz MQECFYCTMISFPL-LLVKDONJSA-N 1 2 239.319 0.941 20 0 BCADLO CCc1cc(NCCc2nnnn2C)nc[nH+]1 ZINC000678481807 488260105 /nfs/dbraw/zinc/26/01/05/488260105.db2.gz SJVVEBHSYSSEMV-UHFFFAOYSA-N 1 2 233.279 0.217 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000678520946 488264414 /nfs/dbraw/zinc/26/44/14/488264414.db2.gz LWASDXURAOJYQZ-DTORHVGOSA-N 1 2 228.317 0.379 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000678520946 488264416 /nfs/dbraw/zinc/26/44/16/488264416.db2.gz LWASDXURAOJYQZ-DTORHVGOSA-N 1 2 228.317 0.379 20 0 BCADLO CCCn1ncnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000684093425 488266224 /nfs/dbraw/zinc/26/62/24/488266224.db2.gz RZKBOLCXOLGWRZ-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000684093425 488266228 /nfs/dbraw/zinc/26/62/28/488266228.db2.gz RZKBOLCXOLGWRZ-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000672951404 488270014 /nfs/dbraw/zinc/27/00/14/488270014.db2.gz SPVQTPFADSFEAJ-PHIMTYICSA-N 1 2 235.287 0.352 20 0 BCADLO C[C@H]1COCCCN1C(=O)Cc1c[nH+]cn1C ZINC000673019533 488271578 /nfs/dbraw/zinc/27/15/78/488271578.db2.gz GJLYRHMCPWMSFS-JTQLQIEISA-N 1 2 237.303 0.600 20 0 BCADLO Cc1cn2c([nH+]1)CN(C(=O)CC(C)(C)O)CC2 ZINC000684295720 488288064 /nfs/dbraw/zinc/28/80/64/488288064.db2.gz MYBLFKNROYQNAT-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO Cc1nc(CNC(=O)Cn2cc[nH+]c2)cs1 ZINC000673641649 488299933 /nfs/dbraw/zinc/29/99/33/488299933.db2.gz AWGDKGHJVZFWJY-UHFFFAOYSA-N 1 2 236.300 0.964 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](O)C1 ZINC000673746209 488306483 /nfs/dbraw/zinc/30/64/83/488306483.db2.gz UKIDMOFTVPBKQB-SNVBAGLBSA-N 1 2 223.276 0.257 20 0 BCADLO C[C@H](CNC(=O)c1ccn(C)n1)Cn1cc[nH+]c1 ZINC000673842957 488309655 /nfs/dbraw/zinc/30/96/55/488309655.db2.gz XRNLACWDOZSUQK-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO CCn1nccc1C[N@H+](CCO)Cc1cn[nH]c1 ZINC000684421720 488310630 /nfs/dbraw/zinc/31/06/30/488310630.db2.gz HPEWEGVRZFJXHN-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CCn1nccc1C[N@@H+](CCO)Cc1cn[nH]c1 ZINC000684421720 488310633 /nfs/dbraw/zinc/31/06/33/488310633.db2.gz HPEWEGVRZFJXHN-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)O ZINC000684452666 488314749 /nfs/dbraw/zinc/31/47/49/488314749.db2.gz BCMDDWDOGZGUGF-SECBINFHSA-N 1 2 239.319 0.628 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000679184606 488314976 /nfs/dbraw/zinc/31/49/76/488314976.db2.gz ZYNYRFCXGMRXKO-VGMNWLOBSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000679184606 488314977 /nfs/dbraw/zinc/31/49/77/488314977.db2.gz ZYNYRFCXGMRXKO-VGMNWLOBSA-N 1 2 228.267 0.424 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226220 488321596 /nfs/dbraw/zinc/32/15/96/488321596.db2.gz ZRIIBSBMGGOQNT-MNOVXSKESA-N 1 2 246.326 0.819 20 0 BCADLO COCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226220 488321598 /nfs/dbraw/zinc/32/15/98/488321598.db2.gz ZRIIBSBMGGOQNT-MNOVXSKESA-N 1 2 246.326 0.819 20 0 BCADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCC1=O ZINC000684497200 488322237 /nfs/dbraw/zinc/32/22/37/488322237.db2.gz YPDJYWWCJKKVNK-SECBINFHSA-N 1 2 221.260 0.321 20 0 BCADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679227828 488322543 /nfs/dbraw/zinc/32/25/43/488322543.db2.gz TZJUVSDRXHYSNN-BDAKNGLRSA-N 1 2 202.273 0.802 20 0 BCADLO CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679227828 488322544 /nfs/dbraw/zinc/32/25/44/488322544.db2.gz TZJUVSDRXHYSNN-BDAKNGLRSA-N 1 2 202.273 0.802 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)NC(C)C)C[C@H]1C ZINC000679287804 488329487 /nfs/dbraw/zinc/32/94/87/488329487.db2.gz FJHVHBRFRCTSSL-SNVBAGLBSA-N 1 2 249.380 0.255 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)NC(C)C)C[C@H]1C ZINC000679287804 488329490 /nfs/dbraw/zinc/32/94/90/488329490.db2.gz FJHVHBRFRCTSSL-SNVBAGLBSA-N 1 2 249.380 0.255 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000679396102 488350601 /nfs/dbraw/zinc/35/06/01/488350601.db2.gz PLBUDGNYPRYYRO-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679396102 488350603 /nfs/dbraw/zinc/35/06/03/488350603.db2.gz PLBUDGNYPRYYRO-SECBINFHSA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000679396103 488350717 /nfs/dbraw/zinc/35/07/17/488350717.db2.gz PLBUDGNYPRYYRO-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679396103 488350718 /nfs/dbraw/zinc/35/07/18/488350718.db2.gz PLBUDGNYPRYYRO-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO COCc1nc(C[N@H+]2CCC[C@H]2COC)no1 ZINC000679536541 488357045 /nfs/dbraw/zinc/35/70/45/488357045.db2.gz NRDRBSXFBWHBRV-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO COCc1nc(C[N@@H+]2CCC[C@H]2COC)no1 ZINC000679536541 488357046 /nfs/dbraw/zinc/35/70/46/488357046.db2.gz NRDRBSXFBWHBRV-VIFPVBQESA-N 1 2 241.291 0.827 20 0 BCADLO Cc1nc(NC[C@@H](O)[C@H]2CCOC2)cc[nH+]1 ZINC000336729147 490101613 /nfs/dbraw/zinc/10/16/13/490101613.db2.gz HLXOQJHYWSBVRV-VHSXEESVSA-N 1 2 223.276 0.594 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659851419 490093288 /nfs/dbraw/zinc/09/32/88/490093288.db2.gz GNLRJPJFRWMBBQ-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659851419 490093289 /nfs/dbraw/zinc/09/32/89/490093289.db2.gz GNLRJPJFRWMBBQ-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1nc(NCC[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000381384865 490102126 /nfs/dbraw/zinc/10/21/26/490102126.db2.gz MKGRWXYKMLPQTO-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BCADLO CNC(=O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681273092 490163541 /nfs/dbraw/zinc/16/35/41/490163541.db2.gz IAUMECYFUBEZJA-UHFFFAOYSA-N 1 2 232.243 0.409 20 0 BCADLO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cn1cc[nH+]c1 ZINC000669017748 490167931 /nfs/dbraw/zinc/16/79/31/490167931.db2.gz FYXUXXLBDIPFST-WYUUTHIRSA-N 1 2 249.314 0.528 20 0 BCADLO C[C@H]([NH2+]Cc1nccs1)C(=O)N(C)C ZINC000070159383 490200988 /nfs/dbraw/zinc/20/09/88/490200988.db2.gz SUBQXHLRSJPEJD-ZETCQYMHSA-N 1 2 213.306 0.709 20 0 BCADLO O=C(CCn1cc[nH+]c1)N(CCCO)C1CC1 ZINC000404204342 490245130 /nfs/dbraw/zinc/24/51/30/490245130.db2.gz AVLOVCUANFMQLT-UHFFFAOYSA-N 1 2 237.303 0.647 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000668452476 490249172 /nfs/dbraw/zinc/24/91/72/490249172.db2.gz UMWBDVZEXFUYHR-NSHDSACASA-N 1 2 246.318 0.832 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000668452476 490249177 /nfs/dbraw/zinc/24/91/77/490249177.db2.gz UMWBDVZEXFUYHR-NSHDSACASA-N 1 2 246.318 0.832 20 0 BCADLO CCOC1(C)CN(c2nc(N)nc(C)[nH+]2)C1 ZINC000399929888 490253941 /nfs/dbraw/zinc/25/39/41/490253941.db2.gz JHGYQJOJWRQCNS-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO CCOC1(C)CN(c2nc(C)[nH+]c(N)n2)C1 ZINC000399929888 490253939 /nfs/dbraw/zinc/25/39/39/490253939.db2.gz JHGYQJOJWRQCNS-UHFFFAOYSA-N 1 2 223.280 0.377 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCO1 ZINC000074726801 490500831 /nfs/dbraw/zinc/50/08/31/490500831.db2.gz GKXGVAMNKCLPIL-SNVBAGLBSA-N 1 2 223.276 0.638 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC000074726801 490500835 /nfs/dbraw/zinc/50/08/35/490500835.db2.gz GKXGVAMNKCLPIL-SNVBAGLBSA-N 1 2 223.276 0.638 20 0 BCADLO C[C@H](NC(=O)c1cocn1)[C@@H]1C[N@H+](C)CCO1 ZINC000126692208 490513042 /nfs/dbraw/zinc/51/30/42/490513042.db2.gz JHDGSINTWGGCMZ-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@H](NC(=O)c1cocn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126692208 490513045 /nfs/dbraw/zinc/51/30/45/490513045.db2.gz JHDGSINTWGGCMZ-WPRPVWTQSA-N 1 2 239.275 0.124 20 0 BCADLO Cn1ncnc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000226811549 491051184 /nfs/dbraw/zinc/05/11/84/491051184.db2.gz HTWLTXYXCMWQES-ZDUSSCGKSA-N 1 2 246.314 0.812 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1cocn1 ZINC000591134884 491070930 /nfs/dbraw/zinc/07/09/30/491070930.db2.gz HWWQVIIVFNFICG-UHFFFAOYSA-N 1 2 206.205 0.301 20 0 BCADLO OC[C@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000088094089 491094328 /nfs/dbraw/zinc/09/43/28/491094328.db2.gz VBUUWGQJZDYOSB-GFCCVEGCSA-N 1 2 223.272 0.585 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000088094089 491094330 /nfs/dbraw/zinc/09/43/30/491094330.db2.gz VBUUWGQJZDYOSB-GFCCVEGCSA-N 1 2 223.272 0.585 20 0 BCADLO CCNC(=O)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080949450 491096876 /nfs/dbraw/zinc/09/68/76/491096876.db2.gz LOHRUFFQCZYVDI-UHFFFAOYSA-N 1 2 247.302 0.839 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)O ZINC000259484516 491102028 /nfs/dbraw/zinc/10/20/28/491102028.db2.gz CFKHGGWMJKVAPE-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)O ZINC000259484516 491102029 /nfs/dbraw/zinc/10/20/29/491102029.db2.gz CFKHGGWMJKVAPE-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CCc1noc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000229572307 491100782 /nfs/dbraw/zinc/10/07/82/491100782.db2.gz MPQNUWNWKUDNHS-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1noc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000229572307 491100783 /nfs/dbraw/zinc/10/07/83/491100783.db2.gz MPQNUWNWKUDNHS-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)O ZINC000259484515 491102002 /nfs/dbraw/zinc/10/20/02/491102002.db2.gz CFKHGGWMJKVAPE-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)O ZINC000259484515 491102004 /nfs/dbraw/zinc/10/20/04/491102004.db2.gz CFKHGGWMJKVAPE-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)O ZINC000259484514 491102047 /nfs/dbraw/zinc/10/20/47/491102047.db2.gz CFKHGGWMJKVAPE-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)O ZINC000259484514 491102049 /nfs/dbraw/zinc/10/20/49/491102049.db2.gz CFKHGGWMJKVAPE-DTWKUNHWSA-N 1 2 233.333 0.348 20 0 BCADLO Cc1nc(NCCN2CCCC2=O)cc[nH+]1 ZINC000405416306 491108590 /nfs/dbraw/zinc/10/85/90/491108590.db2.gz BNNQWVDGKHRFRJ-UHFFFAOYSA-N 1 2 220.276 0.819 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000284121025 491112377 /nfs/dbraw/zinc/11/23/77/491112377.db2.gz UXCWTPIZJHMGJY-HLKOZVMDSA-N 1 2 235.287 0.964 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCO1 ZINC000215271246 491117507 /nfs/dbraw/zinc/11/75/07/491117507.db2.gz DMQKKEDRBBDRSP-NSHDSACASA-N 1 2 236.271 0.078 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCO1 ZINC000215271246 491117509 /nfs/dbraw/zinc/11/75/09/491117509.db2.gz DMQKKEDRBBDRSP-NSHDSACASA-N 1 2 236.271 0.078 20 0 BCADLO COC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000492434492 534002655 /nfs/dbraw/zinc/00/26/55/534002655.db2.gz KHNZXVPOWSYSNT-UHFFFAOYSA-N 1 2 216.256 0.873 20 0 BCADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348843818 535713177 /nfs/dbraw/zinc/71/31/77/535713177.db2.gz QUCZDPHGZWXMGL-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348843818 535713183 /nfs/dbraw/zinc/71/31/83/535713183.db2.gz QUCZDPHGZWXMGL-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)OC ZINC000342406416 535757200 /nfs/dbraw/zinc/75/72/00/535757200.db2.gz WSNCRCISCJOEEX-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCc1nnsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081828 535869190 /nfs/dbraw/zinc/86/91/90/535869190.db2.gz XQAAQEPRXSNQDO-UHFFFAOYSA-N 1 2 237.288 0.754 20 0 BCADLO CCc1nnsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081828 535869198 /nfs/dbraw/zinc/86/91/98/535869198.db2.gz XQAAQEPRXSNQDO-UHFFFAOYSA-N 1 2 237.288 0.754 20 0 BCADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCO)c1 ZINC000305126565 534240890 /nfs/dbraw/zinc/24/08/90/534240890.db2.gz PCAZIMGFDXZXJS-UHFFFAOYSA-N 1 2 245.282 0.903 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC(N)=O ZINC000494306125 534271826 /nfs/dbraw/zinc/27/18/26/534271826.db2.gz BVLPIOHVRJZQGB-VIFPVBQESA-N 1 2 238.291 0.043 20 0 BCADLO C[C@@H](F)CC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000510640734 534276678 /nfs/dbraw/zinc/27/66/78/534276678.db2.gz MEAHDPUSFXLPLB-HLTSFMKQSA-N 1 2 218.272 0.309 20 0 BCADLO C[C@@H](F)CC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000510640734 534276681 /nfs/dbraw/zinc/27/66/81/534276681.db2.gz MEAHDPUSFXLPLB-HLTSFMKQSA-N 1 2 218.272 0.309 20 0 BCADLO CC(=O)NCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348211377 534392613 /nfs/dbraw/zinc/39/26/13/534392613.db2.gz PFCFVXKYUMYAPV-MRXNPFEDSA-N 1 2 246.376 0.356 20 0 BCADLO CC(=O)NCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348211377 534392626 /nfs/dbraw/zinc/39/26/26/534392626.db2.gz PFCFVXKYUMYAPV-MRXNPFEDSA-N 1 2 246.376 0.356 20 0 BCADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccccn2)CC1 ZINC000267524344 534395287 /nfs/dbraw/zinc/39/52/87/534395287.db2.gz REPRHZPALCBUQT-UHFFFAOYSA-N 1 2 248.330 0.468 20 0 BCADLO NC(=O)[C@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493147120 534447912 /nfs/dbraw/zinc/44/79/12/534447912.db2.gz HWAGNRPATXOKNM-NWALNABHSA-N 1 2 248.286 0.147 20 0 BCADLO Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)n1 ZINC000495794136 534475584 /nfs/dbraw/zinc/47/55/84/534475584.db2.gz LJJXAFQWHSKLDG-POYBYMJQSA-N 1 2 240.263 0.479 20 0 BCADLO O=C(/C=C/c1cnccn1)NCCc1[nH]cc[nH+]1 ZINC000493827746 534785264 /nfs/dbraw/zinc/78/52/64/534785264.db2.gz TWEFNPGOORLLMJ-OWOJBTEDSA-N 1 2 243.270 0.572 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCOC1 ZINC000493269289 534800473 /nfs/dbraw/zinc/80/04/73/534800473.db2.gz QBWZXIYDWXVEMG-IHWYPQMZSA-N 1 2 207.233 0.629 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(C)nc2)[C@@H](C)C1 ZINC000351874382 534796549 /nfs/dbraw/zinc/79/65/49/534796549.db2.gz IVZGZIIXBOJROH-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)nc2)[C@@H](C)C1 ZINC000351874382 534796558 /nfs/dbraw/zinc/79/65/58/534796558.db2.gz IVZGZIIXBOJROH-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCO1 ZINC000492823801 534800744 /nfs/dbraw/zinc/80/07/44/534800744.db2.gz OIRKFIVUPDIAFI-ARJAWSKDSA-N 1 2 207.233 0.977 20 0 BCADLO NC(=O)CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493301234 534845528 /nfs/dbraw/zinc/84/55/28/534845528.db2.gz YORWKYYQPKLOTM-OWOJBTEDSA-N 1 2 248.286 0.195 20 0 BCADLO C/C=C/C[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492899421 526278458 /nfs/dbraw/zinc/27/84/58/526278458.db2.gz MIPWPFNXKSFBET-CXLDNVHXSA-N 1 2 235.287 0.866 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N(CC(F)F)C2CC2)C1 ZINC000172789958 536439096 /nfs/dbraw/zinc/43/90/96/536439096.db2.gz ZGINXNSZCFJQND-VIFPVBQESA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N(CC(F)F)C2CC2)C1 ZINC000172789958 536439097 /nfs/dbraw/zinc/43/90/97/536439097.db2.gz ZGINXNSZCFJQND-VIFPVBQESA-N 1 2 248.273 0.573 20 0 BCADLO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CC(O)C1 ZINC000497016028 526431288 /nfs/dbraw/zinc/43/12/88/526431288.db2.gz BZYWPMJGOXSVGW-UHFFFAOYSA-N 1 2 244.335 0.966 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000335664931 536452730 /nfs/dbraw/zinc/45/27/30/536452730.db2.gz YWRIGZTYXGBXIW-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000335664931 536452734 /nfs/dbraw/zinc/45/27/34/536452734.db2.gz YWRIGZTYXGBXIW-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CC(C)(C)[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858698 526620352 /nfs/dbraw/zinc/62/03/52/526620352.db2.gz FVQCFAYKZBDCAX-UMCURTJPSA-N 1 2 237.303 0.946 20 0 BCADLO CC(=O)NCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493297435 526736175 /nfs/dbraw/zinc/73/61/75/526736175.db2.gz DJJYHGWTCANADZ-ONEGZZNKSA-N 1 2 236.275 0.065 20 0 BCADLO CC(=O)OCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493592934 527115232 /nfs/dbraw/zinc/11/52/32/527115232.db2.gz RPTKAYGUHPQDLA-NSCUHMNNSA-N 1 2 223.232 0.102 20 0 BCADLO CC(C)(O)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493425125 527320893 /nfs/dbraw/zinc/32/08/93/527320893.db2.gz CYTIHMUFWULTKU-ONEGZZNKSA-N 1 2 223.276 0.700 20 0 BCADLO CC(C)(C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000478687511 527507842 /nfs/dbraw/zinc/50/78/42/527507842.db2.gz LRTWNSMPOGFSOI-UHFFFAOYSA-N 1 2 240.347 0.559 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000493456024 527580444 /nfs/dbraw/zinc/58/04/44/527580444.db2.gz DIWMYUJYTBISSW-KVOZUEDISA-N 1 2 238.331 0.956 20 0 BCADLO C/C=C/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000493456024 527580449 /nfs/dbraw/zinc/58/04/49/527580449.db2.gz DIWMYUJYTBISSW-KVOZUEDISA-N 1 2 238.331 0.956 20 0 BCADLO CCC[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495792472 527786144 /nfs/dbraw/zinc/78/61/44/527786144.db2.gz FVEXMXZVXRQEQW-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CCC[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495792472 527786149 /nfs/dbraw/zinc/78/61/49/527786149.db2.gz FVEXMXZVXRQEQW-MNOVXSKESA-N 1 2 242.319 0.938 20 0 BCADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)OCCO1 ZINC000493491475 527933173 /nfs/dbraw/zinc/93/31/73/527933173.db2.gz RMHLTDZGYPOICZ-IHWYPQMZSA-N 1 2 237.259 0.302 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000496802813 527955348 /nfs/dbraw/zinc/95/53/48/527955348.db2.gz JVOKCXJJMIZAEW-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000496802813 527955350 /nfs/dbraw/zinc/95/53/50/527955350.db2.gz JVOKCXJJMIZAEW-IUCAKERBSA-N 1 2 244.291 0.320 20 0 BCADLO CCN1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493693426 527975248 /nfs/dbraw/zinc/97/52/48/527975248.db2.gz RGHSAVSEFAQWRS-HMDXOVGESA-N 1 2 248.286 0.160 20 0 BCADLO CCN1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000493693427 527975602 /nfs/dbraw/zinc/97/56/02/527975602.db2.gz RGHSAVSEFAQWRS-UMBAGQNISA-N 1 2 248.286 0.160 20 0 BCADLO CC1(O)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493108799 528044375 /nfs/dbraw/zinc/04/43/75/528044375.db2.gz SYOPFSOLDINXRI-NSCUHMNNSA-N 1 2 207.233 0.016 20 0 BCADLO CC1(O)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492897527 528044741 /nfs/dbraw/zinc/04/47/41/528044741.db2.gz JYMZJBXOHXWSTP-IHWYPQMZSA-N 1 2 207.233 0.016 20 0 BCADLO CCC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493580517 528315858 /nfs/dbraw/zinc/31/58/58/528315858.db2.gz IIQAOAWHISTCLN-ONEGZZNKSA-N 1 2 248.286 0.461 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000507569102 528379730 /nfs/dbraw/zinc/37/97/30/528379730.db2.gz QPLFZYZDXPJPQD-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccnc(C)n1 ZINC000507569102 528379736 /nfs/dbraw/zinc/37/97/36/528379736.db2.gz QPLFZYZDXPJPQD-UHFFFAOYSA-N 1 2 236.319 0.872 20 0 BCADLO CCO/C=C/C(=O)NCCc1c[nH+]cn1C ZINC000493195616 528480584 /nfs/dbraw/zinc/48/05/84/528480584.db2.gz VVZBBAPEOUXKBW-FNORWQNLSA-N 1 2 223.276 0.629 20 0 BCADLO CCO/C=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000493193126 528480646 /nfs/dbraw/zinc/48/06/46/528480646.db2.gz SCQVRONMONBWTI-FNORWQNLSA-N 1 2 223.276 0.629 20 0 BCADLO CCO/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000493152418 528495922 /nfs/dbraw/zinc/49/59/22/528495922.db2.gz ATOYEWZBCIIOLD-GOJXHPMJSA-N 1 2 235.287 0.864 20 0 BCADLO CCO/C=C\C(=O)NCc1[nH+]ccn1C ZINC000492899985 528530433 /nfs/dbraw/zinc/53/04/33/528530433.db2.gz UMGUHGZCLFOVSU-DAXSKMNVSA-N 1 2 209.249 0.587 20 0 BCADLO CCOC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493847735 528534630 /nfs/dbraw/zinc/53/46/30/528534630.db2.gz PRCPSLZYWQBPGP-ARJAWSKDSA-N 1 2 221.260 0.670 20 0 BCADLO CCN(CCOC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492809870 528556075 /nfs/dbraw/zinc/55/60/75/528556075.db2.gz HAEBQLOCWNVAIP-PLNGDYQASA-N 1 2 223.276 0.918 20 0 BCADLO CCN(CCOC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493570482 528556138 /nfs/dbraw/zinc/55/61/38/528556138.db2.gz ZIFLRDNOTGIKMY-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO CCOCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493195450 528702145 /nfs/dbraw/zinc/70/21/45/528702145.db2.gz VGRICDKFSFPGMK-SNAWJCMRSA-N 1 2 223.276 0.918 20 0 BCADLO C[S@](=O)CCNc1nccn2c[nH+]cc12 ZINC000892574178 582917847 /nfs/dbraw/zinc/91/78/47/582917847.db2.gz XTLUGVNGTJMYLO-HNNXBMFYSA-N 1 2 224.289 0.520 20 0 BCADLO CC1(C)COC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493609714 529132943 /nfs/dbraw/zinc/13/29/43/529132943.db2.gz IJAXHFCIHWIRFX-XOULXFPDSA-N 1 2 235.287 0.964 20 0 BCADLO CCSCC[NH+]1CC2(C1)CNC(=O)O2 ZINC000496495246 529179125 /nfs/dbraw/zinc/17/91/25/529179125.db2.gz XYUJHLQDDBDPNA-UHFFFAOYSA-N 1 2 216.306 0.534 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnnn1C ZINC000505610020 529311408 /nfs/dbraw/zinc/31/14/08/529311408.db2.gz JUPXSWKXRSZDQH-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnnn1C ZINC000505610020 529311411 /nfs/dbraw/zinc/31/14/11/529311411.db2.gz JUPXSWKXRSZDQH-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@@H]1CC[N@@H+]1CN1C[C@@H](C(=O)OC)OC1=O ZINC000496321098 529332812 /nfs/dbraw/zinc/33/28/12/529332812.db2.gz FQNKFMMSSXENMG-BDAKNGLRSA-N 1 2 242.275 0.422 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1C ZINC000303254921 534972764 /nfs/dbraw/zinc/97/27/64/534972764.db2.gz FMBJNMUWWAUYAR-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1C ZINC000303254921 534972766 /nfs/dbraw/zinc/97/27/66/534972766.db2.gz FMBJNMUWWAUYAR-SNVBAGLBSA-N 1 2 238.335 0.895 20 0 BCADLO CCCCC[N@H+](CC(N)=O)CC(=O)NCC ZINC000183045604 535018225 /nfs/dbraw/zinc/01/82/25/535018225.db2.gz MSPGCBULBRSMRR-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NCC ZINC000183045604 535018227 /nfs/dbraw/zinc/01/82/27/535018227.db2.gz MSPGCBULBRSMRR-UHFFFAOYSA-N 1 2 229.324 0.100 20 0 BCADLO CCCC[N@H+](CCCO)Cc1nnnn1C ZINC000342307615 535254243 /nfs/dbraw/zinc/25/42/43/535254243.db2.gz SVWOCLNFDRTKEB-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CCCC[N@@H+](CCCO)Cc1nnnn1C ZINC000342307615 535254247 /nfs/dbraw/zinc/25/42/47/535254247.db2.gz SVWOCLNFDRTKEB-UHFFFAOYSA-N 1 2 227.312 0.195 20 0 BCADLO CC[N@@H+](Cc1nnc(C2CC2)n1C)C[C@@H](C)O ZINC000352202712 535395737 /nfs/dbraw/zinc/39/57/37/535395737.db2.gz LTOWENXGWSCLFD-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO CC[N@H+](Cc1nnc(C2CC2)n1C)C[C@@H](C)O ZINC000352202712 535395739 /nfs/dbraw/zinc/39/57/39/535395739.db2.gz LTOWENXGWSCLFD-SECBINFHSA-N 1 2 238.335 0.895 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]1OC ZINC000169188737 535410938 /nfs/dbraw/zinc/41/09/38/535410938.db2.gz LBYLBXDSQLSGJH-MXWKQRLJSA-N 1 2 225.292 0.692 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC000171075607 535449639 /nfs/dbraw/zinc/44/96/39/535449639.db2.gz FRQCXVIYHZUYTO-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000171075607 535449642 /nfs/dbraw/zinc/44/96/42/535449642.db2.gz FRQCXVIYHZUYTO-QMMMGPOBSA-N 1 2 229.324 0.097 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCCO)C1CCOCC1 ZINC000348769057 535493911 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COCCN(CCOC)C(=O)Cc1[nH]cc[nH+]1 ZINC000854143741 588776946 /nfs/dbraw/zinc/77/69/46/588776946.db2.gz DGDWHCNXOYMTAS-UHFFFAOYSA-N 1 2 241.291 0.074 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCCOC(F)F ZINC000854371524 588785110 /nfs/dbraw/zinc/78/51/10/588785110.db2.gz IYQPSSYRHLFLGT-UHFFFAOYSA-N 1 2 233.218 0.698 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2C[C@@H]21 ZINC000854419765 588786325 /nfs/dbraw/zinc/78/63/25/588786325.db2.gz IPUJUQQSFVOFIP-BDAKNGLRSA-N 1 2 205.261 0.963 20 0 BCADLO C[C@H]1CSC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854428806 588786672 /nfs/dbraw/zinc/78/66/72/588786672.db2.gz ZEVZZIOTSKEJBK-JGVFFNPUSA-N 1 2 225.317 0.820 20 0 BCADLO CN(C(=O)c1cccc2[nH+]ccn21)C1(CO)CC1 ZINC000854436350 588787131 /nfs/dbraw/zinc/78/71/31/588787131.db2.gz YBTLJCUZSPYKDR-UHFFFAOYSA-N 1 2 245.282 0.931 20 0 BCADLO CCOC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000854499097 588789460 /nfs/dbraw/zinc/78/94/60/588789460.db2.gz SDJJGEOPGOPWRE-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO C[C@@H](NC(=O)C1=COCC1)c1[nH]cc[nH+]1 ZINC000854595182 588796442 /nfs/dbraw/zinc/79/64/42/588796442.db2.gz VFRXHTAUANONQP-SSDOTTSWSA-N 1 2 207.233 0.891 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cnc2n1CCC2 ZINC000854499117 588789591 /nfs/dbraw/zinc/78/95/91/588789591.db2.gz SOPWYVAVGQAAEX-UHFFFAOYSA-N 1 2 245.286 0.493 20 0 BCADLO C[NH+](C)CC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000854724236 588804446 /nfs/dbraw/zinc/80/44/46/588804446.db2.gz MMCXOISZYLSARN-ZETCQYMHSA-N 1 2 242.216 0.907 20 0 BCADLO C[NH+](C)CC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000854724236 588804447 /nfs/dbraw/zinc/80/44/47/588804447.db2.gz MMCXOISZYLSARN-ZETCQYMHSA-N 1 2 242.216 0.907 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCOC2 ZINC000854671940 588800609 /nfs/dbraw/zinc/80/06/09/588800609.db2.gz XEWJITYVEYMTLA-UHFFFAOYSA-N 1 2 221.260 0.201 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000854684514 588801092 /nfs/dbraw/zinc/80/10/92/588801092.db2.gz AGWRGTQNDNBTPJ-RKDXNWHRSA-N 1 2 234.259 0.609 20 0 BCADLO CC[C@@H]1[C@@H](CO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854746813 588804982 /nfs/dbraw/zinc/80/49/82/588804982.db2.gz HECAQNDDLUZTOX-NXEZZACHSA-N 1 2 237.303 0.572 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(C)=NO1 ZINC000854757360 588805933 /nfs/dbraw/zinc/80/59/33/588805933.db2.gz QVPTZHTUDVIAEA-VIFPVBQESA-N 1 2 236.275 0.684 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000854783600 588809181 /nfs/dbraw/zinc/80/91/81/588809181.db2.gz VJEFQYLBGHHOTO-KNVOCYPGSA-N 1 2 215.203 0.471 20 0 BCADLO CO[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854824784 588812038 /nfs/dbraw/zinc/81/20/38/588812038.db2.gz QHLHJRWOKOGPBK-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)O ZINC000854830361 588812573 /nfs/dbraw/zinc/81/25/73/588812573.db2.gz VZHSTGUNIUYXJN-JGVFFNPUSA-N 1 2 211.265 0.228 20 0 BCADLO CC(C)(O)C(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854888695 588815715 /nfs/dbraw/zinc/81/57/15/588815715.db2.gz SFSPBPPKTVQMCX-UHFFFAOYSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CS1 ZINC000854934466 588817070 /nfs/dbraw/zinc/81/70/70/588817070.db2.gz SXJSIYLIQRBXHA-SFYZADRCSA-N 1 2 225.317 0.962 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCC1(CO)CCC1 ZINC000855029532 588821363 /nfs/dbraw/zinc/82/13/63/588821363.db2.gz QXDNRQIFMZMYRE-UHFFFAOYSA-N 1 2 237.303 0.621 20 0 BCADLO C[C@H]1C[C@@H](CO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854964972 588819157 /nfs/dbraw/zinc/81/91/57/588819157.db2.gz TYIPOIDEANRXRA-VHSXEESVSA-N 1 2 237.303 0.429 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCC1CSC1 ZINC000854974672 588819493 /nfs/dbraw/zinc/81/94/93/588819493.db2.gz IRFZZNYCRGROCU-UHFFFAOYSA-N 1 2 225.317 0.822 20 0 BCADLO COC/C=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135942 588823409 /nfs/dbraw/zinc/82/34/09/588823409.db2.gz JJHCFMQCNJNOTJ-ARJAWSKDSA-N 1 2 209.249 0.571 20 0 BCADLO COC/C=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135942 588823410 /nfs/dbraw/zinc/82/34/10/588823410.db2.gz JJHCFMQCNJNOTJ-ARJAWSKDSA-N 1 2 209.249 0.571 20 0 BCADLO C[C@H]1COCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866843424 582457923 /nfs/dbraw/zinc/45/79/23/582457923.db2.gz GWZLZIIVWYGVJF-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccnc(F)c1 ZINC000859315235 582488793 /nfs/dbraw/zinc/48/87/93/582488793.db2.gz IXGAVSVEFJXPGA-VIFPVBQESA-N 1 2 241.266 0.153 20 0 BCADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccnc(F)c1 ZINC000859315235 582488795 /nfs/dbraw/zinc/48/87/95/582488795.db2.gz IXGAVSVEFJXPGA-VIFPVBQESA-N 1 2 241.266 0.153 20 0 BCADLO COC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000855413221 588831735 /nfs/dbraw/zinc/83/17/35/588831735.db2.gz IKBIFUBDAUNQCV-RKDXNWHRSA-N 1 2 216.281 0.452 20 0 BCADLO COC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000855413221 588831736 /nfs/dbraw/zinc/83/17/36/588831736.db2.gz IKBIFUBDAUNQCV-RKDXNWHRSA-N 1 2 216.281 0.452 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCC[C@@H](O)C1CC1 ZINC000890714453 582512590 /nfs/dbraw/zinc/51/25/90/582512590.db2.gz AXEJMWZATKQVCY-LLVKDONJSA-N 1 2 249.314 0.771 20 0 BCADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)n(C)n1 ZINC000291189414 582578863 /nfs/dbraw/zinc/57/88/63/582578863.db2.gz KKMFXAASUGMTOH-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891039069 582599850 /nfs/dbraw/zinc/59/98/50/582599850.db2.gz GFTZQMBZXWINBZ-GHMZBOCLSA-N 1 2 235.287 0.424 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891045520 582600905 /nfs/dbraw/zinc/60/09/05/582600905.db2.gz HABQPIOKQBBQOT-CMPLNLGQSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891045520 582600906 /nfs/dbraw/zinc/60/09/06/582600906.db2.gz HABQPIOKQBBQOT-CMPLNLGQSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891045521 582601284 /nfs/dbraw/zinc/60/12/84/582601284.db2.gz HABQPIOKQBBQOT-JQWIXIFHSA-N 1 2 249.314 0.802 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891045521 582601285 /nfs/dbraw/zinc/60/12/85/582601285.db2.gz HABQPIOKQBBQOT-JQWIXIFHSA-N 1 2 249.314 0.802 20 0 BCADLO COC(=O)C12CC(C1)CN2C(=O)Cc1[nH]cc[nH+]1 ZINC000855522019 588838522 /nfs/dbraw/zinc/83/85/22/588838522.db2.gz GQEMKVUMSOYZBP-UHFFFAOYSA-N 1 2 249.270 0.116 20 0 BCADLO CCO[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000855523693 588838613 /nfs/dbraw/zinc/83/86/13/588838613.db2.gz YXVUQIHRCHALLH-KYZUINATSA-N 1 2 223.276 0.636 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891060567 582605855 /nfs/dbraw/zinc/60/58/55/582605855.db2.gz WBLGDCJRAQPNKL-NEPJUHHUSA-N 1 2 249.314 0.814 20 0 BCADLO CO[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094658 582658263 /nfs/dbraw/zinc/65/82/63/582658263.db2.gz DOIBWVIGCAFHRF-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCO[C@@H]1CC1(F)F ZINC000855607695 588841982 /nfs/dbraw/zinc/84/19/82/588841982.db2.gz KXUUIVGGXOWRKR-SSDOTTSWSA-N 1 2 245.229 0.493 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@H]1CO ZINC000891427452 582682584 /nfs/dbraw/zinc/68/25/84/582682584.db2.gz UZIVYNOSUPYYJL-JTQLQIEISA-N 1 2 238.291 0.049 20 0 BCADLO CCOCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000891465055 582691518 /nfs/dbraw/zinc/69/15/18/582691518.db2.gz OWCUAQZLNVBCEL-UHFFFAOYSA-N 1 2 240.307 0.646 20 0 BCADLO CN(C)C(=O)CNc1cc(N(C)C)nc[nH+]1 ZINC000891543234 582696064 /nfs/dbraw/zinc/69/60/64/582696064.db2.gz AHHRTPASZSRDIQ-UHFFFAOYSA-N 1 2 223.280 0.043 20 0 BCADLO CN(C)C(=O)CNc1cc(N(C)C)[nH+]cn1 ZINC000891543234 582696065 /nfs/dbraw/zinc/69/60/65/582696065.db2.gz AHHRTPASZSRDIQ-UHFFFAOYSA-N 1 2 223.280 0.043 20 0 BCADLO Cc1cc(C[N@H+](C)CC(N)=O)cnc1F ZINC000891582699 582699014 /nfs/dbraw/zinc/69/90/14/582699014.db2.gz UVRLDCTWBOBPJP-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(N)=O)cnc1F ZINC000891582699 582699015 /nfs/dbraw/zinc/69/90/15/582699015.db2.gz UVRLDCTWBOBPJP-UHFFFAOYSA-N 1 2 211.240 0.446 20 0 BCADLO CC(C)NC(=O)CNc1cc(N(C)C)nc[nH+]1 ZINC000891582960 582699600 /nfs/dbraw/zinc/69/96/00/582699600.db2.gz HUAIGJZBWZMTKQ-UHFFFAOYSA-N 1 2 237.307 0.479 20 0 BCADLO CC(C)NC(=O)CNc1cc(N(C)C)[nH+]cn1 ZINC000891582960 582699601 /nfs/dbraw/zinc/69/96/01/582699601.db2.gz HUAIGJZBWZMTKQ-UHFFFAOYSA-N 1 2 237.307 0.479 20 0 BCADLO CN(C)c1cc(NCC(=O)NC2CC2)[nH+]cn1 ZINC000891589761 582699874 /nfs/dbraw/zinc/69/98/74/582699874.db2.gz RKRSPLKEJXPOGQ-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO CN(C)c1cc(NCC(=O)NC2CC2)nc[nH+]1 ZINC000891589761 582699876 /nfs/dbraw/zinc/69/98/76/582699876.db2.gz RKRSPLKEJXPOGQ-UHFFFAOYSA-N 1 2 235.291 0.233 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)Cc1cc[nH]c(=O)c1 ZINC000891630569 582702984 /nfs/dbraw/zinc/70/29/84/582702984.db2.gz NZSKIIJCFVAHPW-UHFFFAOYSA-N 1 2 244.316 0.264 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)Cc1cc[nH]c(=O)c1 ZINC000891630569 582702986 /nfs/dbraw/zinc/70/29/86/582702986.db2.gz NZSKIIJCFVAHPW-UHFFFAOYSA-N 1 2 244.316 0.264 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C[C@H](C)O ZINC000131124287 582717452 /nfs/dbraw/zinc/71/74/52/582717452.db2.gz RBPAYNYHNHIANZ-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@H](C)O ZINC000131124287 582717454 /nfs/dbraw/zinc/71/74/54/582717454.db2.gz RBPAYNYHNHIANZ-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO C[C@H](O)c1cccc(NC[C@@H]2COCCO2)[nH+]1 ZINC000891919249 582737640 /nfs/dbraw/zinc/73/76/40/582737640.db2.gz WVEBUPWHBTXPSP-VHSXEESVSA-N 1 2 238.287 0.962 20 0 BCADLO Cc1noc(CCNc2cc(N(C)C)nc[nH+]2)n1 ZINC000892135440 582798273 /nfs/dbraw/zinc/79/82/73/582798273.db2.gz RDVMPEVUUXNOIO-UHFFFAOYSA-N 1 2 248.290 0.889 20 0 BCADLO Cc1noc(CCNc2cc(N(C)C)[nH+]cn2)n1 ZINC000892135440 582798275 /nfs/dbraw/zinc/79/82/75/582798275.db2.gz RDVMPEVUUXNOIO-UHFFFAOYSA-N 1 2 248.290 0.889 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2nc(COC)oc2=O)C1 ZINC000119843356 582806494 /nfs/dbraw/zinc/80/64/94/582806494.db2.gz CZLQIMCGWPHGFV-SECBINFHSA-N 1 2 241.291 0.672 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2nc(COC)oc2=O)C1 ZINC000119843356 582806496 /nfs/dbraw/zinc/80/64/96/582806496.db2.gz CZLQIMCGWPHGFV-SECBINFHSA-N 1 2 241.291 0.672 20 0 BCADLO CN(Cc1[nH+]ccn1C1CC1)[C@@H]1CCNC1=O ZINC000892243230 582812458 /nfs/dbraw/zinc/81/24/58/582812458.db2.gz XOPCZRHUNVRMDO-SNVBAGLBSA-N 1 2 234.303 0.538 20 0 BCADLO CCc1cc(N2CCCNC(=O)C2)nc(CC)[nH+]1 ZINC000892277137 582825287 /nfs/dbraw/zinc/82/52/87/582825287.db2.gz OFFFYCIOAIFPKL-UHFFFAOYSA-N 1 2 248.330 0.928 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)N1CCOCC1 ZINC000849395583 582850824 /nfs/dbraw/zinc/85/08/24/582850824.db2.gz XGQLMXGWNTZYOU-VIFPVBQESA-N 1 2 236.275 0.370 20 0 BCADLO C[C@@H](C1CC1)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000782182383 582870429 /nfs/dbraw/zinc/87/04/29/582870429.db2.gz YWSVHZPYIJTLKK-JTQLQIEISA-N 1 2 248.330 0.867 20 0 BCADLO C[C@@H](C1CC1)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000782182383 582870431 /nfs/dbraw/zinc/87/04/31/582870431.db2.gz YWSVHZPYIJTLKK-JTQLQIEISA-N 1 2 248.330 0.867 20 0 BCADLO COC[C@@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000850203195 582906042 /nfs/dbraw/zinc/90/60/42/582906042.db2.gz NVQRJIBYBVOPNQ-SECBINFHSA-N 1 2 240.259 0.368 20 0 BCADLO CCn1ccnc1C[NH2+]CC(=O)NCC(F)F ZINC000393686032 582915385 /nfs/dbraw/zinc/91/53/85/582915385.db2.gz QJAGOLZTUCDCKP-UHFFFAOYSA-N 1 2 246.261 0.374 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2COC[C@H]2C1 ZINC000856148680 588862656 /nfs/dbraw/zinc/86/26/56/588862656.db2.gz WKJDNLSILWVLHX-VHSXEESVSA-N 1 2 235.287 0.447 20 0 BCADLO C[C@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892616212 582931113 /nfs/dbraw/zinc/93/11/13/582931113.db2.gz KMZYISOGIVKEID-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892616212 582931116 /nfs/dbraw/zinc/93/11/16/582931116.db2.gz KMZYISOGIVKEID-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)O ZINC000394030660 582943517 /nfs/dbraw/zinc/94/35/17/582943517.db2.gz NJDZNTBMKJVNNU-QMMMGPOBSA-N 1 2 211.265 0.159 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)CO ZINC000856247902 588865314 /nfs/dbraw/zinc/86/53/14/588865314.db2.gz HKOMDTYCHFBYJL-SKDRFNHKSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@H](NC(=O)c1cnsn1)c1[nH+]ccn1C ZINC000856278018 588866458 /nfs/dbraw/zinc/86/64/58/588866458.db2.gz VSJQVAMOHGLWPM-LURJTMIESA-N 1 2 237.288 0.763 20 0 BCADLO C[C@@H](NC(=O)CC1(O)CCC1)c1[nH+]ccn1C ZINC000856280139 588866825 /nfs/dbraw/zinc/86/68/25/588866825.db2.gz JXJDYXKGAKMIMQ-SECBINFHSA-N 1 2 237.303 0.902 20 0 BCADLO CN(C)c1cc(N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000892751373 582975690 /nfs/dbraw/zinc/97/56/90/582975690.db2.gz VCHALRKJWYKXSK-AOOOYVTPSA-N 1 2 234.303 0.910 20 0 BCADLO CN(C)c1cc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]cn1 ZINC000892751373 582975692 /nfs/dbraw/zinc/97/56/92/582975692.db2.gz VCHALRKJWYKXSK-AOOOYVTPSA-N 1 2 234.303 0.910 20 0 BCADLO CNC(=O)[C@H](C)CN(C)c1nccn2c[nH+]cc12 ZINC000892790568 582983123 /nfs/dbraw/zinc/98/31/23/582983123.db2.gz FSLAXDZKSXGWHV-SECBINFHSA-N 1 2 247.302 0.548 20 0 BCADLO CCCCNC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394748675 583012529 /nfs/dbraw/zinc/01/25/29/583012529.db2.gz MHWPGXKGWNXHRC-LLVKDONJSA-N 1 2 240.351 0.086 20 0 BCADLO Nc1nc(N[C@@H](CO)CC2CC2)nc(C2CC2)[nH+]1 ZINC000892976098 583023833 /nfs/dbraw/zinc/02/38/33/583023833.db2.gz ADESXFMVIVZWGH-SECBINFHSA-N 1 2 249.318 0.904 20 0 BCADLO Nc1nc(N[C@@H](CO)CC2CC2)[nH+]c(C2CC2)n1 ZINC000892976098 583023835 /nfs/dbraw/zinc/02/38/35/583023835.db2.gz ADESXFMVIVZWGH-SECBINFHSA-N 1 2 249.318 0.904 20 0 BCADLO CC[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1O ZINC000893030971 583033038 /nfs/dbraw/zinc/03/30/38/583033038.db2.gz VSLWTPKHMLARKA-NXEZZACHSA-N 1 2 236.319 0.750 20 0 BCADLO CC[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1O ZINC000893030971 583033040 /nfs/dbraw/zinc/03/30/40/583033040.db2.gz VSLWTPKHMLARKA-NXEZZACHSA-N 1 2 236.319 0.750 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000893054163 583038313 /nfs/dbraw/zinc/03/83/13/583038313.db2.gz VBYNGKBPSZKFEF-RKDXNWHRSA-N 1 2 249.318 0.845 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000893054163 583038316 /nfs/dbraw/zinc/03/83/16/583038316.db2.gz VBYNGKBPSZKFEF-RKDXNWHRSA-N 1 2 249.318 0.845 20 0 BCADLO C[C@H]1CN(c2nc(N)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000893080909 583044576 /nfs/dbraw/zinc/04/45/76/583044576.db2.gz VAHNPFHNHPYZPN-XPUUQOCRSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@H]1CN(c2nc(N)nc(C3CC3)[nH+]2)C[C@@H]1O ZINC000893080909 583044578 /nfs/dbraw/zinc/04/45/78/583044578.db2.gz VAHNPFHNHPYZPN-XPUUQOCRSA-N 1 2 235.291 0.148 20 0 BCADLO C[C@@H](C[S@](C)=O)Nc1nccn2c[nH+]cc12 ZINC000893137357 583054995 /nfs/dbraw/zinc/05/49/95/583054995.db2.gz APXCZDFVHLJMRT-PWJLMRLQSA-N 1 2 238.316 0.908 20 0 BCADLO C[C@H](C[S@](C)=O)Nc1cc(N(C)C)nc[nH+]1 ZINC000893140570 583055731 /nfs/dbraw/zinc/05/57/31/583055731.db2.gz WKLUWZIHPSOFIV-BCTVWOGZSA-N 1 2 242.348 0.722 20 0 BCADLO C[N@H+](CC(=O)NCC1CCC1)Cc1cn[nH]c1 ZINC000085826101 583062112 /nfs/dbraw/zinc/06/21/12/583062112.db2.gz ZQMRVNDQEKHYKI-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO C[N@@H+](CC(=O)NCC1CCC1)Cc1cn[nH]c1 ZINC000085826101 583062115 /nfs/dbraw/zinc/06/21/15/583062115.db2.gz ZQMRVNDQEKHYKI-UHFFFAOYSA-N 1 2 236.319 0.758 20 0 BCADLO CN(C)c1cc(NCCc2ccnn2C)[nH+]cn1 ZINC000893187926 583067434 /nfs/dbraw/zinc/06/74/34/583067434.db2.gz VLOWEXHXUXYVNX-UHFFFAOYSA-N 1 2 246.318 0.931 20 0 BCADLO CN(C)c1cc(NCCc2ccnn2C)nc[nH+]1 ZINC000893187926 583067435 /nfs/dbraw/zinc/06/74/35/583067435.db2.gz VLOWEXHXUXYVNX-UHFFFAOYSA-N 1 2 246.318 0.931 20 0 BCADLO C[C@@H](NCc1cnccn1)[C@H]1C[N@H+](C)CCO1 ZINC000856773770 588877134 /nfs/dbraw/zinc/87/71/34/588877134.db2.gz TWGYWOADOJAMIW-ZYHUDNBSSA-N 1 2 236.319 0.285 20 0 BCADLO C[C@@H](NCc1cnccn1)[C@H]1C[N@@H+](C)CCO1 ZINC000856773770 588877135 /nfs/dbraw/zinc/87/71/35/588877135.db2.gz TWGYWOADOJAMIW-ZYHUDNBSSA-N 1 2 236.319 0.285 20 0 BCADLO CNc1cc(N2CC(=O)N(C)C[C@H]2C)nc[nH+]1 ZINC000893378429 583133168 /nfs/dbraw/zinc/13/31/68/583133168.db2.gz AZOCKCLPRONWNV-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO CNc1cc(N2CC(=O)N(C)C[C@H]2C)[nH+]cn1 ZINC000893378429 583133170 /nfs/dbraw/zinc/13/31/70/583133170.db2.gz AZOCKCLPRONWNV-MRVPVSSYSA-N 1 2 235.291 0.185 20 0 BCADLO C[C@H](O)c1cccc(N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC000893378503 583133220 /nfs/dbraw/zinc/13/32/20/583133220.db2.gz CHVIOQHNPUMMSP-ZJUUUORDSA-N 1 2 249.314 0.802 20 0 BCADLO CNc1cc(N(C)CC2(CO)CC2)nc[nH+]1 ZINC000893382715 583133764 /nfs/dbraw/zinc/13/37/64/583133764.db2.gz RCPWIWKHGIDSSK-UHFFFAOYSA-N 1 2 222.292 0.727 20 0 BCADLO CC(=O)OC[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000893479397 583151380 /nfs/dbraw/zinc/15/13/80/583151380.db2.gz VNDMFCUVBHHRTO-LURJTMIESA-N 1 2 229.305 0.888 20 0 BCADLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)C2CC2)C[N@@H+]1C ZINC000893562389 583164174 /nfs/dbraw/zinc/16/41/74/583164174.db2.gz MCYYMLXLYJIMBL-BXKDBHETSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)C2CC2)C[N@H+]1C ZINC000893562389 583164176 /nfs/dbraw/zinc/16/41/76/583164176.db2.gz MCYYMLXLYJIMBL-BXKDBHETSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@]1(C)C[C@@H](OC(=O)C2CC2)C[N@@H+]1C ZINC000893562394 583164243 /nfs/dbraw/zinc/16/42/43/583164243.db2.gz MCYYMLXLYJIMBL-SKDRFNHKSA-N 1 2 241.287 0.575 20 0 BCADLO COC(=O)[C@]1(C)C[C@@H](OC(=O)C2CC2)C[N@H+]1C ZINC000893562394 583164244 /nfs/dbraw/zinc/16/42/44/583164244.db2.gz MCYYMLXLYJIMBL-SKDRFNHKSA-N 1 2 241.287 0.575 20 0 BCADLO O=c1cc(C[N@@H+]2CCn3ncnc3C2)cc[nH]1 ZINC000893661288 583190775 /nfs/dbraw/zinc/19/07/75/583190775.db2.gz OMULFZVMRSYHKQ-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO O=c1cc(C[N@H+]2CCn3ncnc3C2)cc[nH]1 ZINC000893661288 583190779 /nfs/dbraw/zinc/19/07/79/583190779.db2.gz OMULFZVMRSYHKQ-UHFFFAOYSA-N 1 2 231.259 0.395 20 0 BCADLO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(Cl)n1 ZINC000857040353 588883249 /nfs/dbraw/zinc/88/32/49/588883249.db2.gz XONIREFPMCAQBM-DTWKUNHWSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(Cl)n1 ZINC000857040353 588883250 /nfs/dbraw/zinc/88/32/50/588883250.db2.gz XONIREFPMCAQBM-DTWKUNHWSA-N 1 2 245.710 0.001 20 0 BCADLO CC(=O)OC[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000893674651 583194550 /nfs/dbraw/zinc/19/45/50/583194550.db2.gz MAJBUSIVGYAFTE-SSDOTTSWSA-N 1 2 242.279 0.177 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857040311 588883454 /nfs/dbraw/zinc/88/34/54/588883454.db2.gz WWWVZXWHMXIDDQ-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857040311 588883456 /nfs/dbraw/zinc/88/34/56/588883456.db2.gz WWWVZXWHMXIDDQ-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO Cn1cc(C[N@H+](C)CCCO)c(Cl)n1 ZINC000857040704 588883601 /nfs/dbraw/zinc/88/36/01/588883601.db2.gz APKFHONDPGGVNY-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO Cn1cc(C[N@@H+](C)CCCO)c(Cl)n1 ZINC000857040704 588883602 /nfs/dbraw/zinc/88/36/02/588883602.db2.gz APKFHONDPGGVNY-UHFFFAOYSA-N 1 2 217.700 0.888 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000893680232 583197852 /nfs/dbraw/zinc/19/78/52/583197852.db2.gz KAJKDMROZKYJCO-AOOOYVTPSA-N 1 2 234.303 0.625 20 0 BCADLO CN(C)c1cc(N2C[C@@H]3COC[C@@H]3C2)[nH+]cn1 ZINC000893680232 583197855 /nfs/dbraw/zinc/19/78/55/583197855.db2.gz KAJKDMROZKYJCO-AOOOYVTPSA-N 1 2 234.303 0.625 20 0 BCADLO Cn1cc(C[NH+]2CC(C)(CO)C2)c(Cl)n1 ZINC000857047964 588883892 /nfs/dbraw/zinc/88/38/92/588883892.db2.gz SUWJANCVGPOWSM-UHFFFAOYSA-N 1 2 229.711 0.888 20 0 BCADLO c1cc2c(cn1)C[N@H+](C[C@H]1COCCO1)C2 ZINC000857882130 583204219 /nfs/dbraw/zinc/20/42/19/583204219.db2.gz NJPSLMZZLUXBSQ-LBPRGKRZSA-N 1 2 220.272 0.813 20 0 BCADLO c1cc2c(cn1)C[N@@H+](C[C@H]1COCCO1)C2 ZINC000857882130 583204221 /nfs/dbraw/zinc/20/42/21/583204221.db2.gz NJPSLMZZLUXBSQ-LBPRGKRZSA-N 1 2 220.272 0.813 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888860 583208887 /nfs/dbraw/zinc/20/88/87/583208887.db2.gz FCHIIUDIAUERHO-WCBMZHEXSA-N 1 2 237.303 0.331 20 0 BCADLO c1[nH+]cn2ccnc(N3C[C@@H]4COC[C@H](C3)O4)c12 ZINC000893715240 583211893 /nfs/dbraw/zinc/21/18/93/583211893.db2.gz DHWFPMILYZVMJP-AOOOYVTPSA-N 1 2 246.270 0.333 20 0 BCADLO CS[C@@H](C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000893797322 583222744 /nfs/dbraw/zinc/22/27/44/583222744.db2.gz DFFHRACUMKZTAX-QMMMGPOBSA-N 1 2 242.348 0.971 20 0 BCADLO C[C@H](NC(=O)NCc1cn(C)c[nH+]1)c1cn[nH]c1 ZINC000893858488 583233413 /nfs/dbraw/zinc/23/34/13/583233413.db2.gz ZXJNSBVRNSNLQC-QMMMGPOBSA-N 1 2 248.290 0.704 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000893864645 583234961 /nfs/dbraw/zinc/23/49/61/583234961.db2.gz XXGAVKNMUYKYAF-JTQLQIEISA-N 1 2 236.319 0.724 20 0 BCADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000893864645 583234964 /nfs/dbraw/zinc/23/49/64/583234964.db2.gz XXGAVKNMUYKYAF-JTQLQIEISA-N 1 2 236.319 0.724 20 0 BCADLO CN(C)c1cc(N2CC[C@H](CC(N)=O)C2)nc[nH+]1 ZINC000893883921 583240736 /nfs/dbraw/zinc/24/07/36/583240736.db2.gz ORYUGMPPGNOWQN-SECBINFHSA-N 1 2 249.318 0.244 20 0 BCADLO CN(C)c1cc(N2CC[C@H](CC(N)=O)C2)[nH+]cn1 ZINC000893883921 583240737 /nfs/dbraw/zinc/24/07/37/583240737.db2.gz ORYUGMPPGNOWQN-SECBINFHSA-N 1 2 249.318 0.244 20 0 BCADLO Cc1n[nH]c(C[N@@H+](C)CC(=O)N(C)C)c1C ZINC000893903801 583243104 /nfs/dbraw/zinc/24/31/04/583243104.db2.gz VZWBGKNTMXXZJA-UHFFFAOYSA-N 1 2 224.308 0.547 20 0 BCADLO Cc1n[nH]c(C[N@H+](C)CC(=O)N(C)C)c1C ZINC000893903801 583243105 /nfs/dbraw/zinc/24/31/05/583243105.db2.gz VZWBGKNTMXXZJA-UHFFFAOYSA-N 1 2 224.308 0.547 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1C ZINC000893906713 583243605 /nfs/dbraw/zinc/24/36/05/583243605.db2.gz YXZUHPXMLZKXPD-LLVKDONJSA-N 1 2 236.319 0.866 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCCC[C@@H]2C(N)=O)c1C ZINC000893906713 583243607 /nfs/dbraw/zinc/24/36/07/583243607.db2.gz YXZUHPXMLZKXPD-LLVKDONJSA-N 1 2 236.319 0.866 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000893950143 583260235 /nfs/dbraw/zinc/26/02/35/583260235.db2.gz BHNQXUCFVKLYOP-QMMMGPOBSA-N 1 2 224.260 0.828 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000893985146 583268681 /nfs/dbraw/zinc/26/86/81/583268681.db2.gz YUUGJEMFFXHIJV-NSHDSACASA-N 1 2 248.330 0.833 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000893985146 583268683 /nfs/dbraw/zinc/26/86/83/583268683.db2.gz YUUGJEMFFXHIJV-NSHDSACASA-N 1 2 248.330 0.833 20 0 BCADLO CC(C)c1c[nH]c(CN2CCNC(=O)[C@@H]2C)[nH+]1 ZINC000893984264 583269246 /nfs/dbraw/zinc/26/92/46/583269246.db2.gz MDHBDWOIFHSIDU-VIFPVBQESA-N 1 2 236.319 0.853 20 0 BCADLO CCc1cc(N2CC(O)(CO)C2)nc(CC)[nH+]1 ZINC000894001906 583272652 /nfs/dbraw/zinc/27/26/52/583272652.db2.gz ZQAQTMYIBBNTDF-UHFFFAOYSA-N 1 2 237.303 0.145 20 0 BCADLO Cc1ncoc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000894085551 583295787 /nfs/dbraw/zinc/29/57/87/583295787.db2.gz PGQAWZVPOTYCFL-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO Cc1ncoc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000894085551 583295788 /nfs/dbraw/zinc/29/57/88/583295788.db2.gz PGQAWZVPOTYCFL-VIFPVBQESA-N 1 2 236.275 0.192 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1C ZINC000894086643 583297141 /nfs/dbraw/zinc/29/71/41/583297141.db2.gz YNQOSQCPTFMMAK-JTQLQIEISA-N 1 2 249.318 0.236 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1C ZINC000894086643 583297143 /nfs/dbraw/zinc/29/71/43/583297143.db2.gz YNQOSQCPTFMMAK-JTQLQIEISA-N 1 2 249.318 0.236 20 0 BCADLO CC(C)c1c[nH]c(CN(C)[C@H]2CCNC2=O)[nH+]1 ZINC000894094016 583300062 /nfs/dbraw/zinc/30/00/62/583300062.db2.gz IHZYVIMQJFCIFZ-JTQLQIEISA-N 1 2 236.319 0.853 20 0 BCADLO C[C@H](CC(=O)N[C@]12C[C@H]1COC2)n1cc[nH+]c1 ZINC000894179651 583329647 /nfs/dbraw/zinc/32/96/47/583329647.db2.gz UMJFVIUUNULTLU-SCVCMEIPSA-N 1 2 235.287 0.739 20 0 BCADLO CN(C)c1cc(N2CCO[C@@H](CF)C2)nc[nH+]1 ZINC000894182044 583329838 /nfs/dbraw/zinc/32/98/38/583329838.db2.gz WXXQPFJBMTZLSB-VIFPVBQESA-N 1 2 240.282 0.717 20 0 BCADLO CN(C)c1cc(N2CCO[C@@H](CF)C2)[nH+]cn1 ZINC000894182044 583329841 /nfs/dbraw/zinc/32/98/41/583329841.db2.gz WXXQPFJBMTZLSB-VIFPVBQESA-N 1 2 240.282 0.717 20 0 BCADLO FC[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894180586 583330217 /nfs/dbraw/zinc/33/02/17/583330217.db2.gz CXGMGAZUEGIJHK-VIFPVBQESA-N 1 2 236.250 0.904 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894191519 583334765 /nfs/dbraw/zinc/33/47/65/583334765.db2.gz YOKSFELJHNZXDM-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894191519 583334769 /nfs/dbraw/zinc/33/47/69/583334769.db2.gz YOKSFELJHNZXDM-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894191521 583334853 /nfs/dbraw/zinc/33/48/53/583334853.db2.gz YOKSFELJHNZXDM-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894191521 583334856 /nfs/dbraw/zinc/33/48/56/583334856.db2.gz YOKSFELJHNZXDM-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BCADLO Cn1ncnc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752868 583346151 /nfs/dbraw/zinc/34/61/51/583346151.db2.gz UKIQZBWETATEDF-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncnc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752868 583346153 /nfs/dbraw/zinc/34/61/53/583346153.db2.gz UKIQZBWETATEDF-VIFPVBQESA-N 1 2 224.308 0.408 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878039616 583356715 /nfs/dbraw/zinc/35/67/15/583356715.db2.gz ACPXSDLTPXBXGV-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878039616 583356716 /nfs/dbraw/zinc/35/67/16/583356716.db2.gz ACPXSDLTPXBXGV-MNOVXSKESA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCCNC(=O)C1 ZINC000726790825 583374096 /nfs/dbraw/zinc/37/40/96/583374096.db2.gz KCSXJMFTRLNPBB-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCNC(=O)C1 ZINC000726790825 583374098 /nfs/dbraw/zinc/37/40/98/583374098.db2.gz KCSXJMFTRLNPBB-VIFPVBQESA-N 1 2 241.335 0.112 20 0 BCADLO CC(=O)N[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894243976 583389094 /nfs/dbraw/zinc/38/90/94/583389094.db2.gz NWOFJUQCSFKIJW-SNVBAGLBSA-N 1 2 245.286 0.444 20 0 BCADLO C[N@H+](CCCO)Cc1nc(Br)c[nH]1 ZINC000894253970 583393539 /nfs/dbraw/zinc/39/35/39/583393539.db2.gz BXHMATBVHSBNBF-UHFFFAOYSA-N 1 2 248.124 0.986 20 0 BCADLO C[N@@H+](CCCO)Cc1nc(Br)c[nH]1 ZINC000894253970 583393541 /nfs/dbraw/zinc/39/35/41/583393541.db2.gz BXHMATBVHSBNBF-UHFFFAOYSA-N 1 2 248.124 0.986 20 0 BCADLO C[C@H]1C[N@H+](CN2CCC2=O)C[C@]2(CCOC2)O1 ZINC000857234586 588898660 /nfs/dbraw/zinc/89/86/60/588898660.db2.gz LXJUWTLHISPISB-JQWIXIFHSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCC2=O)C[C@]2(CCOC2)O1 ZINC000857234586 588898662 /nfs/dbraw/zinc/89/86/62/588898662.db2.gz LXJUWTLHISPISB-JQWIXIFHSA-N 1 2 240.303 0.056 20 0 BCADLO Cc1nc(N2CC(N3CCOCC3)C2)cc[nH+]1 ZINC000894367328 583438424 /nfs/dbraw/zinc/43/84/24/583438424.db2.gz LZJGZRJUZRJOEJ-UHFFFAOYSA-N 1 2 234.303 0.306 20 0 BCADLO C[C@H]1OCC[C@]12C[N@H+](CN1CCC1=O)CCO2 ZINC000857234804 588899193 /nfs/dbraw/zinc/89/91/93/588899193.db2.gz MPMXCTDEVOKCNH-PWSUYJOCSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@H]1OCC[C@]12C[N@@H+](CN1CCC1=O)CCO2 ZINC000857234804 588899194 /nfs/dbraw/zinc/89/91/94/588899194.db2.gz MPMXCTDEVOKCNH-PWSUYJOCSA-N 1 2 240.303 0.056 20 0 BCADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](O)COC ZINC000879983173 583452972 /nfs/dbraw/zinc/45/29/72/583452972.db2.gz VQFDTLQFWNPRGF-MNOVXSKESA-N 1 2 245.319 0.315 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](O)COC ZINC000879983172 583453068 /nfs/dbraw/zinc/45/30/68/583453068.db2.gz VQFDTLQFWNPRGF-GHMZBOCLSA-N 1 2 245.319 0.315 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000748355423 583477839 /nfs/dbraw/zinc/47/78/39/583477839.db2.gz RTJFJVHWXRIELO-MRVPVSSYSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)[nH]1 ZINC000748355423 583477840 /nfs/dbraw/zinc/47/78/40/583477840.db2.gz RTJFJVHWXRIELO-MRVPVSSYSA-N 1 2 222.292 0.494 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000894538460 583480094 /nfs/dbraw/zinc/48/00/94/583480094.db2.gz QOVFRGDVXUBSHG-WPRPVWTQSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000894538460 583480095 /nfs/dbraw/zinc/48/00/95/583480095.db2.gz QOVFRGDVXUBSHG-WPRPVWTQSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000894572167 583485620 /nfs/dbraw/zinc/48/56/20/583485620.db2.gz DJRWLXABVLDPLL-VXNVDRBHSA-N 1 2 249.318 0.681 20 0 BCADLO C[C@@H](O)[C@H]1CCCN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000894572167 583485623 /nfs/dbraw/zinc/48/56/23/583485623.db2.gz DJRWLXABVLDPLL-VXNVDRBHSA-N 1 2 249.318 0.681 20 0 BCADLO COc1nccnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894585368 583489756 /nfs/dbraw/zinc/48/97/56/583489756.db2.gz GFXPQXOQFWGOPA-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1ncncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894587250 583490544 /nfs/dbraw/zinc/49/05/44/583490544.db2.gz WZYDIZFTQZJQDU-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2cocn2)CC1 ZINC000894608373 583492204 /nfs/dbraw/zinc/49/22/04/583492204.db2.gz MTIVGCXKXCBESD-UHFFFAOYSA-N 1 2 249.274 0.809 20 0 BCADLO COC(=O)c1cnc(C[N@H+](C)CCCO)s1 ZINC000894664724 583501801 /nfs/dbraw/zinc/50/18/01/583501801.db2.gz ZKWDUZQFCYJXMO-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO COC(=O)c1cnc(C[N@@H+](C)CCCO)s1 ZINC000894664724 583501803 /nfs/dbraw/zinc/50/18/03/583501803.db2.gz ZKWDUZQFCYJXMO-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO F[C@H]1CC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000894670640 583503348 /nfs/dbraw/zinc/50/33/48/583503348.db2.gz JMARAOMMBUPITM-VIFPVBQESA-N 1 2 225.267 0.957 20 0 BCADLO F[C@H]1CC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC000894670640 583503351 /nfs/dbraw/zinc/50/33/51/583503351.db2.gz JMARAOMMBUPITM-VIFPVBQESA-N 1 2 225.267 0.957 20 0 BCADLO Cc1nocc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000550199553 583506055 /nfs/dbraw/zinc/50/60/55/583506055.db2.gz AYXPMMFZIHXCGW-UHFFFAOYSA-N 1 2 248.290 0.669 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CC[C@@](F)(CO)C2)c1C ZINC000894686967 583506666 /nfs/dbraw/zinc/50/66/66/583506666.db2.gz ZXKDPQNWQPUMQR-NSHDSACASA-N 1 2 227.283 0.933 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CC[C@@](F)(CO)C2)c1C ZINC000894686967 583506670 /nfs/dbraw/zinc/50/66/70/583506670.db2.gz ZXKDPQNWQPUMQR-NSHDSACASA-N 1 2 227.283 0.933 20 0 BCADLO CCn1ncc(CNc2cc(NC)[nH+]cn2)n1 ZINC000894697224 583510209 /nfs/dbraw/zinc/51/02/09/583510209.db2.gz KWPHHIXJWRYCNQ-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO CCn1ncc(CNc2cc(NC)nc[nH+]2)n1 ZINC000894697224 583510211 /nfs/dbraw/zinc/51/02/11/583510211.db2.gz KWPHHIXJWRYCNQ-UHFFFAOYSA-N 1 2 233.279 0.742 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C2CC2)CC(=O)N1 ZINC000894731115 583513828 /nfs/dbraw/zinc/51/38/28/583513828.db2.gz ZOPFIVREUMHONH-SECBINFHSA-N 1 2 234.303 0.538 20 0 BCADLO CNc1cc(NC[C@@H](O)[C@@H]2CCCO2)[nH+]cn1 ZINC000894724469 583514760 /nfs/dbraw/zinc/51/47/60/583514760.db2.gz JKIQCGVMZKZDKJ-BDAKNGLRSA-N 1 2 238.291 0.470 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCNC(=O)C[C@@H]2C)c1C ZINC000894781315 583520163 /nfs/dbraw/zinc/52/01/63/583520163.db2.gz GIUKWMJLEAYTPA-QMMMGPOBSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1C ZINC000894781315 583520165 /nfs/dbraw/zinc/52/01/65/583520165.db2.gz GIUKWMJLEAYTPA-QMMMGPOBSA-N 1 2 236.319 0.737 20 0 BCADLO CC1(C)CC([N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000894806539 583522803 /nfs/dbraw/zinc/52/28/03/583522803.db2.gz QLRUDWGMCJLOJU-UHFFFAOYSA-N 1 2 236.319 0.775 20 0 BCADLO CC1(C)CC([N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000894806539 583522804 /nfs/dbraw/zinc/52/28/04/583522804.db2.gz QLRUDWGMCJLOJU-UHFFFAOYSA-N 1 2 236.319 0.775 20 0 BCADLO COC1C[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894819746 583524778 /nfs/dbraw/zinc/52/47/78/583524778.db2.gz PYPDDOMNRQYQRS-GHMZBOCLSA-N 1 2 245.294 0.951 20 0 BCADLO CNc1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)[nH+]cn1 ZINC000894826556 583526477 /nfs/dbraw/zinc/52/64/77/583526477.db2.gz XCPYSNVEZAFQNM-HTQZYQBOSA-N 1 2 234.259 0.128 20 0 BCADLO CCn1cc(C[NH+]2CC(C(C)(C)O)C2)nn1 ZINC000894831452 583528570 /nfs/dbraw/zinc/52/85/70/583528570.db2.gz XMVRDZXZUBGNOE-UHFFFAOYSA-N 1 2 224.308 0.501 20 0 BCADLO COCC1(O)C[NH+](Cc2cccc3c2OCC3)C1 ZINC000894838521 583529452 /nfs/dbraw/zinc/52/94/52/583529452.db2.gz ANUCYVCKHOYHMC-UHFFFAOYSA-N 1 2 249.310 0.815 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000894860293 583534260 /nfs/dbraw/zinc/53/42/60/583534260.db2.gz JNJGBBCMTRUQLH-SFYZADRCSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000894860293 583534261 /nfs/dbraw/zinc/53/42/61/583534261.db2.gz JNJGBBCMTRUQLH-SFYZADRCSA-N 1 2 244.316 0.767 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@@H]2O)nc(CC)[nH+]1 ZINC000894866817 583538000 /nfs/dbraw/zinc/53/80/00/583538000.db2.gz DRZMQGBXSIDBOA-ZJUUUORDSA-N 1 2 237.303 0.773 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@@H](CF)C2)O1 ZINC000894887710 583547551 /nfs/dbraw/zinc/54/75/51/583547551.db2.gz JTWKPPCAAZZEGJ-UWVGGRQHSA-N 1 2 233.283 0.808 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@@H](CF)C2)O1 ZINC000894887710 583547553 /nfs/dbraw/zinc/54/75/53/583547553.db2.gz JTWKPPCAAZZEGJ-UWVGGRQHSA-N 1 2 233.283 0.808 20 0 BCADLO O[C@H](C[N@@H+]1CCc2ncncc2C1)C(F)(F)F ZINC000880597579 583547836 /nfs/dbraw/zinc/54/78/36/583547836.db2.gz ZUFBWSALDXLSIE-SECBINFHSA-N 1 2 247.220 0.758 20 0 BCADLO O[C@H](C[N@H+]1CCc2ncncc2C1)C(F)(F)F ZINC000880597579 583547837 /nfs/dbraw/zinc/54/78/37/583547837.db2.gz ZUFBWSALDXLSIE-SECBINFHSA-N 1 2 247.220 0.758 20 0 BCADLO CC(C)OC(=O)[C@H](C)NCc1c[nH+]c[nH]1 ZINC000894917379 583555758 /nfs/dbraw/zinc/55/57/58/583555758.db2.gz OIXGKNSTVFXRLI-QMMMGPOBSA-N 1 2 211.265 0.839 20 0 BCADLO CC(C)OC(=O)[C@H](C)NCc1c[nH]c[nH+]1 ZINC000894917379 583555759 /nfs/dbraw/zinc/55/57/59/583555759.db2.gz OIXGKNSTVFXRLI-QMMMGPOBSA-N 1 2 211.265 0.839 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@H]1CCO1 ZINC000894972266 583561032 /nfs/dbraw/zinc/56/10/32/583561032.db2.gz OUGRUBCJQIZPNU-ONGXEEELSA-N 1 2 231.292 0.069 20 0 BCADLO COCCCOC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894971397 583561237 /nfs/dbraw/zinc/56/12/37/583561237.db2.gz WNJOVWYZMMTYHY-UHFFFAOYSA-N 1 2 225.292 0.647 20 0 BCADLO COCCCOC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894971397 583561239 /nfs/dbraw/zinc/56/12/39/583561239.db2.gz WNJOVWYZMMTYHY-UHFFFAOYSA-N 1 2 225.292 0.647 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H]1CC=CCC1 ZINC000894975846 583562720 /nfs/dbraw/zinc/56/27/20/583562720.db2.gz OXEPZTCWLRZNIB-CMPLNLGQSA-N 1 2 227.304 0.856 20 0 BCADLO CC[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)OC ZINC000894975792 583562736 /nfs/dbraw/zinc/56/27/36/583562736.db2.gz RFUKFNZXHCZIAD-JTQLQIEISA-N 1 2 240.307 0.644 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CC2(C1)CNC(=O)O2 ZINC000895035910 583570372 /nfs/dbraw/zinc/57/03/72/583570372.db2.gz FFUOSFPBHIFCBJ-UHFFFAOYSA-N 1 2 248.286 0.266 20 0 BCADLO CCN(OC)C(=O)C[NH2+][C@@H](C)c1cnccn1 ZINC000895084023 583584024 /nfs/dbraw/zinc/58/40/24/583584024.db2.gz GVNJHRYGNQHYKQ-VIFPVBQESA-N 1 2 238.291 0.537 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CN(C)C(=O)[C@@H]1C ZINC000895089989 583585875 /nfs/dbraw/zinc/58/58/75/583585875.db2.gz QQQPYHDANRALON-VIFPVBQESA-N 1 2 234.303 0.592 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cnn(C)c1 ZINC000895113286 583591193 /nfs/dbraw/zinc/59/11/93/583591193.db2.gz IGVOTZAGCOOEQI-AEJSXWLSSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cnn(C)c1 ZINC000895113286 583591194 /nfs/dbraw/zinc/59/11/94/583591194.db2.gz IGVOTZAGCOOEQI-AEJSXWLSSA-N 1 2 236.319 0.517 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1[nH+]ccn1C ZINC000895113414 583591761 /nfs/dbraw/zinc/59/17/61/583591761.db2.gz JKVVHEBXCUDRNW-IVZWLZJFSA-N 1 2 236.319 0.517 20 0 BCADLO CC[C@H](C[NH2+]Cc1ccn[nH]1)C(=O)OC ZINC000895120021 583593391 /nfs/dbraw/zinc/59/33/91/583593391.db2.gz KKRFGHOTCWPFFI-MRVPVSSYSA-N 1 2 211.265 0.699 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@](C)(C(N)=O)C2)c1C ZINC000882294762 583603506 /nfs/dbraw/zinc/60/35/06/583603506.db2.gz WFRGTEIUFVELIL-LBPRGKRZSA-N 1 2 234.303 0.795 20 0 BCADLO C[C@H](O)c1cccc(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC000895157137 583607973 /nfs/dbraw/zinc/60/79/73/583607973.db2.gz PNOMNVRTUFRFAX-AUTRQRHGSA-N 1 2 220.272 0.706 20 0 BCADLO CC[C@](C)(C[NH2+][C@H](C)c1n[nH]c(=O)n1C)OC ZINC000895170504 583612338 /nfs/dbraw/zinc/61/23/38/583612338.db2.gz DUUCXSDYGAYMQX-LDYMZIIASA-N 1 2 242.323 0.986 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000335329808 583612954 /nfs/dbraw/zinc/61/29/54/583612954.db2.gz ZPHSBEKFFYBKQW-MNOVXSKESA-N 1 2 240.347 0.964 20 0 BCADLO CCONC(=O)C[NH2+]CC1CCC(OC)CC1 ZINC000895175304 583615125 /nfs/dbraw/zinc/61/51/25/583615125.db2.gz KOJRKSPYZBMYOU-UHFFFAOYSA-N 1 2 244.335 0.849 20 0 BCADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000895179776 583617403 /nfs/dbraw/zinc/61/74/03/583617403.db2.gz SIFABIXLZMMFFX-HEFKBWKQSA-N 1 2 241.312 0.993 20 0 BCADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000895179776 583617404 /nfs/dbraw/zinc/61/74/04/583617404.db2.gz SIFABIXLZMMFFX-HEFKBWKQSA-N 1 2 241.312 0.993 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)N1CCCC1 ZINC000727160774 583619406 /nfs/dbraw/zinc/61/94/06/583619406.db2.gz KNEWHGKBWUVKCC-UHFFFAOYSA-N 1 2 241.335 0.466 20 0 BCADLO C/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727178247 583620063 /nfs/dbraw/zinc/62/00/63/583620063.db2.gz QWSAWWYZKGPCMG-ONEGZZNKSA-N 1 2 212.293 0.353 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000895203787 583623916 /nfs/dbraw/zinc/62/39/16/583623916.db2.gz XZABGBQPLOFUFP-NXEZZACHSA-N 1 2 236.319 0.892 20 0 BCADLO CN(C)c1cc(N(C)[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC000895203787 583623918 /nfs/dbraw/zinc/62/39/18/583623918.db2.gz XZABGBQPLOFUFP-NXEZZACHSA-N 1 2 236.319 0.892 20 0 BCADLO CN(c1nc(N)[nH+]c(C2CC2)n1)[C@@H]1CCC[C@H]1O ZINC000895203721 583624454 /nfs/dbraw/zinc/62/44/54/583624454.db2.gz VWJWOPHJNPBTMS-RKDXNWHRSA-N 1 2 249.318 0.681 20 0 BCADLO CN(c1nc(N)nc(C2CC2)[nH+]1)[C@@H]1CCC[C@H]1O ZINC000895203721 583624455 /nfs/dbraw/zinc/62/44/55/583624455.db2.gz VWJWOPHJNPBTMS-RKDXNWHRSA-N 1 2 249.318 0.681 20 0 BCADLO COC(=O)c1cnc(C[NH2+]C/C=C/CO)s1 ZINC000895247582 583632748 /nfs/dbraw/zinc/63/27/48/583632748.db2.gz FRGHXTSEWISZKB-NSCUHMNNSA-N 1 2 242.300 0.568 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000895251125 583633316 /nfs/dbraw/zinc/63/33/16/583633316.db2.gz HBAUDZAHNXOFEY-MRVPVSSYSA-N 1 2 240.307 0.466 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2COCC2(C)C)[nH]1 ZINC000895251125 583633317 /nfs/dbraw/zinc/63/33/17/583633317.db2.gz HBAUDZAHNXOFEY-MRVPVSSYSA-N 1 2 240.307 0.466 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cocn1 ZINC000895323068 583650002 /nfs/dbraw/zinc/65/00/02/583650002.db2.gz JCCJRVBHUHXALH-MRVPVSSYSA-N 1 2 209.249 0.289 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](O)C[C@]2(C)CO)[nH+]c1C ZINC000895326615 583651500 /nfs/dbraw/zinc/65/15/00/583651500.db2.gz YSLNHKWVNMMICV-CMPLNLGQSA-N 1 2 239.319 0.344 20 0 BCADLO COC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000857876962 588918981 /nfs/dbraw/zinc/91/89/81/588918981.db2.gz JMIUSGVWYNMZSP-NSHDSACASA-N 1 2 208.261 0.405 20 0 BCADLO COC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000857876962 588918982 /nfs/dbraw/zinc/91/89/82/588918982.db2.gz JMIUSGVWYNMZSP-NSHDSACASA-N 1 2 208.261 0.405 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000857877483 588919006 /nfs/dbraw/zinc/91/90/06/588919006.db2.gz OMGWIKMGTLAUPD-GFCCVEGCSA-N 1 2 222.288 0.795 20 0 BCADLO CCOC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000857877483 588919008 /nfs/dbraw/zinc/91/90/08/588919008.db2.gz OMGWIKMGTLAUPD-GFCCVEGCSA-N 1 2 222.288 0.795 20 0 BCADLO Cc1[nH]nc(CN2CC[N@@H+](C)C[C@@H]2CO)c1C ZINC000895359441 583659481 /nfs/dbraw/zinc/65/94/81/583659481.db2.gz VMORGKPGBPEJHG-LLVKDONJSA-N 1 2 238.335 0.135 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000895381210 583662300 /nfs/dbraw/zinc/66/23/00/583662300.db2.gz ZLRNNTXZXFAXBG-YUMQZZPRSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000895381210 583662301 /nfs/dbraw/zinc/66/23/01/583662301.db2.gz ZLRNNTXZXFAXBG-YUMQZZPRSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000895381207 583662380 /nfs/dbraw/zinc/66/23/80/583662380.db2.gz ZLRNNTXZXFAXBG-HTQZYQBOSA-N 1 2 224.264 0.236 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000895381207 583662381 /nfs/dbraw/zinc/66/23/81/583662381.db2.gz ZLRNNTXZXFAXBG-HTQZYQBOSA-N 1 2 224.264 0.236 20 0 BCADLO CN1CCN(Cc2[nH+]ccn2C2CC2)CCC1=O ZINC000895401864 583665367 /nfs/dbraw/zinc/66/53/67/583665367.db2.gz YXKJMYODVZIMAB-UHFFFAOYSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1[nH]c(CN(C)C2CS(=O)(=O)C2)[nH+]c1C ZINC000895398963 583665640 /nfs/dbraw/zinc/66/56/40/583665640.db2.gz FXTBYUBBQPHWHW-UHFFFAOYSA-N 1 2 243.332 0.255 20 0 BCADLO CO[C@@](C)(C[N@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895399091 583665728 /nfs/dbraw/zinc/66/57/28/583665728.db2.gz IZLCLEVNKOLZKM-NSHDSACASA-N 1 2 247.360 0.530 20 0 BCADLO CO[C@@](C)(C[N@@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895399091 583665731 /nfs/dbraw/zinc/66/57/31/583665731.db2.gz IZLCLEVNKOLZKM-NSHDSACASA-N 1 2 247.360 0.530 20 0 BCADLO C[N@H+](CCC[C@H]1CCO1)C1CS(=O)(=O)C1 ZINC000895399282 583665866 /nfs/dbraw/zinc/66/58/66/583665866.db2.gz NEGDJDVNKPLKGN-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](CCC[C@H]1CCO1)C1CS(=O)(=O)C1 ZINC000895399282 583665867 /nfs/dbraw/zinc/66/58/67/583665867.db2.gz NEGDJDVNKPLKGN-JTQLQIEISA-N 1 2 233.333 0.284 20 0 BCADLO COCC1(C[N@H+](C)C2CS(=O)(=O)C2)CCC1 ZINC000895399810 583665937 /nfs/dbraw/zinc/66/59/37/583665937.db2.gz SGSWJGRYPKBIAR-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO COCC1(C[N@@H+](C)C2CS(=O)(=O)C2)CCC1 ZINC000895399810 583665938 /nfs/dbraw/zinc/66/59/38/583665938.db2.gz SGSWJGRYPKBIAR-UHFFFAOYSA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@H](C)[C@H](C[N@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398848 583665981 /nfs/dbraw/zinc/66/59/81/583665981.db2.gz FDHOAQWGMRYWFJ-ONGXEEELSA-N 1 2 249.376 0.776 20 0 BCADLO CC[C@H](C)[C@H](C[N@@H+](C)C1CS(=O)(=O)C1)OC ZINC000895398848 583665984 /nfs/dbraw/zinc/66/59/84/583665984.db2.gz FDHOAQWGMRYWFJ-ONGXEEELSA-N 1 2 249.376 0.776 20 0 BCADLO CO[C@H](C[N@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895400181 583666157 /nfs/dbraw/zinc/66/61/57/583666157.db2.gz YAWSUDGZIRHDOZ-SNVBAGLBSA-N 1 2 233.333 0.140 20 0 BCADLO CO[C@H](C[N@@H+](C)C1CS(=O)(=O)C1)C1CC1 ZINC000895400181 583666158 /nfs/dbraw/zinc/66/61/58/583666158.db2.gz YAWSUDGZIRHDOZ-SNVBAGLBSA-N 1 2 233.333 0.140 20 0 BCADLO CO[C@]1(C(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000895427117 583667837 /nfs/dbraw/zinc/66/78/37/583667837.db2.gz FILNGVNPZFQTQI-LLVKDONJSA-N 1 2 244.360 0.283 20 0 BCADLO C[NH+]1CCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000895427126 583668163 /nfs/dbraw/zinc/66/81/63/583668163.db2.gz FKSPPMSXPNMBNU-UHFFFAOYSA-N 1 2 245.286 0.346 20 0 BCADLO C[NH+]1CCN(C(=O)c2cncc3nc[nH]c32)CC1 ZINC000895427126 583668164 /nfs/dbraw/zinc/66/81/64/583668164.db2.gz FKSPPMSXPNMBNU-UHFFFAOYSA-N 1 2 245.286 0.346 20 0 BCADLO COC/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885777 588920487 /nfs/dbraw/zinc/92/04/87/588920487.db2.gz OUNYGYNKOGRDHI-GKQMSVHHSA-N 1 2 221.260 0.127 20 0 BCADLO O=C(C[C@@H]1CCCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885186 588920499 /nfs/dbraw/zinc/92/04/99/588920499.db2.gz LMOHDJBZHIAHGI-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]([NH2+]Cc1c[nH]cn1)[C@H](O)C(F)(F)F ZINC000895444558 583674782 /nfs/dbraw/zinc/67/47/82/583674782.db2.gz NJKQAINRLNSLPU-VDTYLAMSSA-N 1 2 223.198 0.811 20 0 BCADLO CCO/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885289 588920722 /nfs/dbraw/zinc/92/07/22/588920722.db2.gz NJYLQFJLJZHTGS-ZBJFTSOASA-N 1 2 221.260 0.474 20 0 BCADLO O=C(CC1(O)CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884905 588920765 /nfs/dbraw/zinc/92/07/65/588920765.db2.gz HFLRQJAAVJSKFK-SECBINFHSA-N 1 2 235.287 0.229 20 0 BCADLO CC(C)OCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887156 588920988 /nfs/dbraw/zinc/92/09/88/588920988.db2.gz HYDSKRDYCLGGII-SNVBAGLBSA-N 1 2 237.303 0.739 20 0 BCADLO C/C=C(\C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890563 588920998 /nfs/dbraw/zinc/92/09/98/588920998.db2.gz XQHZFDRKUXKJTL-QZGLAHODSA-N 1 2 205.261 0.890 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000895472383 583680101 /nfs/dbraw/zinc/68/01/01/583680101.db2.gz BLVOQVPNMXQQDA-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000895472383 583680102 /nfs/dbraw/zinc/68/01/02/583680102.db2.gz BLVOQVPNMXQQDA-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CCONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895527101 583684587 /nfs/dbraw/zinc/68/45/87/583684587.db2.gz UKOMOMIEOGVVME-SNVBAGLBSA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895527101 583684588 /nfs/dbraw/zinc/68/45/88/583684588.db2.gz UKOMOMIEOGVVME-SNVBAGLBSA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895527101 583684589 /nfs/dbraw/zinc/68/45/89/583684589.db2.gz UKOMOMIEOGVVME-SNVBAGLBSA-N 1 2 238.291 0.858 20 0 BCADLO CCONC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000895527101 583684590 /nfs/dbraw/zinc/68/45/90/583684590.db2.gz UKOMOMIEOGVVME-SNVBAGLBSA-N 1 2 238.291 0.858 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886746 588921342 /nfs/dbraw/zinc/92/13/42/588921342.db2.gz COTFMAQCBFJNDI-IUCAKERBSA-N 1 2 223.276 0.349 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cnn[nH]2)c1C1CC1 ZINC000895531029 583684836 /nfs/dbraw/zinc/68/48/36/583684836.db2.gz KUDWWBPLBWQDPK-UHFFFAOYSA-N 1 2 232.291 0.705 20 0 BCADLO C[C@H]1CC2(CC([NH2+]Cc3c[nH]nn3)C2)CO1 ZINC000895530001 583685214 /nfs/dbraw/zinc/68/52/14/583685214.db2.gz DFDIEKFJLUITIX-SILCLGDVSA-N 1 2 222.292 0.852 20 0 BCADLO C[C@H]1CC2(CC([NH2+]Cc3cn[nH]n3)C2)CO1 ZINC000895530001 583685217 /nfs/dbraw/zinc/68/52/17/583685217.db2.gz DFDIEKFJLUITIX-SILCLGDVSA-N 1 2 222.292 0.852 20 0 BCADLO C[C@H]1C[C@H](NC(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000895524223 583686359 /nfs/dbraw/zinc/68/63/59/583686359.db2.gz HSFXBSPYDZEBAE-IUCAKERBSA-N 1 2 238.291 0.397 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)CO ZINC000883009937 583686556 /nfs/dbraw/zinc/68/65/56/583686556.db2.gz ZAGLVGDPBITNKP-RKDXNWHRSA-N 1 2 243.307 0.172 20 0 BCADLO CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)COC1 ZINC000857889864 588921510 /nfs/dbraw/zinc/92/15/10/588921510.db2.gz NXJPTFXADFVNEJ-VIFPVBQESA-N 1 2 235.287 0.351 20 0 BCADLO C[C@@H]1Cc2c[nH+]ccc2N1S(C)(=O)=O ZINC000857900212 588922134 /nfs/dbraw/zinc/92/21/34/588922134.db2.gz ZDOWKCPSADJDIU-SSDOTTSWSA-N 1 2 212.274 0.792 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCNc1cccc[nH+]1 ZINC000895609046 583695893 /nfs/dbraw/zinc/69/58/93/583695893.db2.gz YNVCKJGLAAJSMM-UHFFFAOYSA-N 1 2 245.286 0.955 20 0 BCADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ncc1F)C2 ZINC000895651629 583703388 /nfs/dbraw/zinc/70/33/88/583703388.db2.gz AQUNWVWDYNFWQO-LDYMZIIASA-N 1 2 226.226 0.926 20 0 BCADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ncc1F)C2 ZINC000895651629 583703390 /nfs/dbraw/zinc/70/33/90/583703390.db2.gz AQUNWVWDYNFWQO-LDYMZIIASA-N 1 2 226.226 0.926 20 0 BCADLO COC/C(C)=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857937335 588924468 /nfs/dbraw/zinc/92/44/68/588924468.db2.gz ANGZGFDATVLSHT-UAWPZABVSA-N 1 2 249.314 0.907 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)CCO1 ZINC000895743274 583715327 /nfs/dbraw/zinc/71/53/27/583715327.db2.gz FKPLQPMESURJCO-RCWTZXSCSA-N 1 2 245.319 0.456 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CC=C(C)CC1)[C@@H](C)O ZINC000895743888 583715672 /nfs/dbraw/zinc/71/56/72/583715672.db2.gz OTKJQADSVJWZFQ-MXWKQRLJSA-N 1 2 227.304 0.997 20 0 BCADLO CC[C@](C)(C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895744149 583716008 /nfs/dbraw/zinc/71/60/08/583716008.db2.gz WIMGQTMNVKOKBE-WCABBAIRSA-N 1 2 233.308 0.314 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)[C@@H](C)O ZINC000895743892 583716229 /nfs/dbraw/zinc/71/62/29/583716229.db2.gz OXCGHMPUJGIROA-DBIOUOCHSA-N 1 2 245.319 0.456 20 0 BCADLO CC[C@H]1CC[C@H]1[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000895743413 583716257 /nfs/dbraw/zinc/71/62/57/583716257.db2.gz HUCSAEFZBZYSRS-RGOKHQFPSA-N 1 2 215.293 0.687 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000857941450 588924489 /nfs/dbraw/zinc/92/44/89/588924489.db2.gz HFGQBGOATTXAHJ-GXSJLCMTSA-N 1 2 248.286 0.479 20 0 BCADLO CO[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857947509 588924772 /nfs/dbraw/zinc/92/47/72/588924772.db2.gz SVXFFIJXILEHKC-UWVGGRQHSA-N 1 2 237.303 0.739 20 0 BCADLO CC(F)(F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946588 588924883 /nfs/dbraw/zinc/92/48/83/588924883.db2.gz YGCSDQNJBYEICN-SSDOTTSWSA-N 1 2 229.230 0.969 20 0 BCADLO CC[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808593 583729612 /nfs/dbraw/zinc/72/96/12/583729612.db2.gz KTDIXTDNBHPYAL-GUBZILKMSA-N 1 2 213.277 0.849 20 0 BCADLO C[C@@H](CSCCF)[NH2+][C@H]1CCOC1=O ZINC000895809518 583730091 /nfs/dbraw/zinc/73/00/91/583730091.db2.gz YFYDEDNMMYJBTF-YUMQZZPRSA-N 1 2 221.297 0.983 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000895800884 583730853 /nfs/dbraw/zinc/73/08/53/583730853.db2.gz IYQQKCGOQGJAGI-NSHDSACASA-N 1 2 236.319 0.999 20 0 BCADLO CCc1nc(N(CC)CCC(N)=O)cc[nH+]1 ZINC000895886973 583738996 /nfs/dbraw/zinc/73/89/96/583738996.db2.gz OJTIFDXNTQNBQC-UHFFFAOYSA-N 1 2 222.292 0.741 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cncnc1 ZINC000857982756 588925637 /nfs/dbraw/zinc/92/56/37/588925637.db2.gz RJLSOURGUYHJMC-VIFPVBQESA-N 1 2 229.243 0.548 20 0 BCADLO CCN(CCC(N)=O)c1[nH+]cnc2c1cnn2C ZINC000895889237 583739442 /nfs/dbraw/zinc/73/94/42/583739442.db2.gz NIQIFSQAVCTJFB-UHFFFAOYSA-N 1 2 248.290 0.065 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857961859 588925775 /nfs/dbraw/zinc/92/57/75/588925775.db2.gz HGKZARJMQPGJRB-VIFPVBQESA-N 1 2 249.314 0.929 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=COCC1 ZINC000857962925 588925805 /nfs/dbraw/zinc/92/58/05/588925805.db2.gz OJVKCOHKWJNLLU-SNVBAGLBSA-N 1 2 233.271 0.618 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C(F)F ZINC000857963567 588925824 /nfs/dbraw/zinc/92/58/24/588925824.db2.gz WKMDZTJHQCXVIT-LURJTMIESA-N 1 2 215.203 0.579 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857974042 588925988 /nfs/dbraw/zinc/92/59/88/588925988.db2.gz DTKLFWUZSKDETJ-UDNWOFFPSA-N 1 2 235.287 0.869 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cncnc1 ZINC000895920715 583746992 /nfs/dbraw/zinc/74/69/92/583746992.db2.gz LSVILNCVYVZUJV-GMTAPVOTSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cncnc1 ZINC000895920715 583746994 /nfs/dbraw/zinc/74/69/94/583746994.db2.gz LSVILNCVYVZUJV-GMTAPVOTSA-N 1 2 248.330 0.916 20 0 BCADLO CCn1cnc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857975536 588926120 /nfs/dbraw/zinc/92/61/20/588926120.db2.gz OXCJNDVXBAFFOO-VIFPVBQESA-N 1 2 245.286 0.974 20 0 BCADLO Cc1cn(C)nc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976651 588926379 /nfs/dbraw/zinc/92/63/79/588926379.db2.gz IYTVQKSSHOMOGX-SECBINFHSA-N 1 2 245.286 0.800 20 0 BCADLO Cn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC000857989996 588926410 /nfs/dbraw/zinc/92/64/10/588926410.db2.gz VKWZXCPYTADVFW-SECBINFHSA-N 1 2 231.259 0.491 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccnn1 ZINC000857975499 588926423 /nfs/dbraw/zinc/92/64/23/588926423.db2.gz OIQUAKBVBFLTOC-QMMMGPOBSA-N 1 2 229.243 0.548 20 0 BCADLO Cc1cc(N(C)[C@@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000895953902 583751893 /nfs/dbraw/zinc/75/18/93/583751893.db2.gz SIWPYNBLMMYLRA-SNVBAGLBSA-N 1 2 234.303 0.842 20 0 BCADLO c1cnc(N2CCN(c3cc[nH+]nc3)CC2)nc1 ZINC000895963144 583753642 /nfs/dbraw/zinc/75/36/42/583753642.db2.gz JWRGUIXEBNGXFC-UHFFFAOYSA-N 1 2 242.286 0.593 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000895968375 583754966 /nfs/dbraw/zinc/75/49/66/583754966.db2.gz MHNLRDAQZCPTIS-LLVKDONJSA-N 1 2 210.277 0.830 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000895968375 583754967 /nfs/dbraw/zinc/75/49/67/583754967.db2.gz MHNLRDAQZCPTIS-LLVKDONJSA-N 1 2 210.277 0.830 20 0 BCADLO COCC1C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000895969728 583755149 /nfs/dbraw/zinc/75/51/49/583755149.db2.gz MLWRSSIKVHDTKU-UHFFFAOYSA-N 1 2 209.293 0.807 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979150 588927254 /nfs/dbraw/zinc/92/72/54/588927254.db2.gz NMJUZZAEXFBAFV-SCZZXKLOSA-N 1 2 223.276 0.461 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979864 588927329 /nfs/dbraw/zinc/92/73/29/588927329.db2.gz GEDZQUSWTHHANV-IVZWLZJFSA-N 1 2 235.287 0.869 20 0 BCADLO C[NH+](C)C1(c2nc(Cn3cccn3)no2)CC1 ZINC000896019563 583763647 /nfs/dbraw/zinc/76/36/47/583763647.db2.gz GKCSFCSSULEMNU-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO Cc1nn(C)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000896020428 583763826 /nfs/dbraw/zinc/76/38/26/583763826.db2.gz ALJHQIQKVREYDN-LDYMZIIASA-N 1 2 241.722 0.949 20 0 BCADLO Cc1nn(C)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC000896020428 583763827 /nfs/dbraw/zinc/76/38/27/583763827.db2.gz ALJHQIQKVREYDN-LDYMZIIASA-N 1 2 241.722 0.949 20 0 BCADLO Cn1cncc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979429 588927542 /nfs/dbraw/zinc/92/75/42/588927542.db2.gz OQWIZDQYUFWIED-MRVPVSSYSA-N 1 2 231.259 0.491 20 0 BCADLO C[C@@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857979180 588927660 /nfs/dbraw/zinc/92/76/60/588927660.db2.gz NVZVDDAMCZQFCB-SKDRFNHKSA-N 1 2 235.287 0.605 20 0 BCADLO CCC[C@@H](O)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982840 588927887 /nfs/dbraw/zinc/92/78/87/588927887.db2.gz MSCOFPDWCJNAEI-ZJUUUORDSA-N 1 2 237.303 0.995 20 0 BCADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CO1 ZINC000857982560 588928070 /nfs/dbraw/zinc/92/80/70/588928070.db2.gz PSTYHTOUMBKHCR-UTLUCORTSA-N 1 2 235.287 0.869 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccon1 ZINC000857985112 588928708 /nfs/dbraw/zinc/92/87/08/588928708.db2.gz HTINNYZRVLAPJE-ZETCQYMHSA-N 1 2 218.216 0.746 20 0 BCADLO Cc1nn(C)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983980 588928878 /nfs/dbraw/zinc/92/88/78/588928878.db2.gz ADTSNPHRJDZMMA-JTQLQIEISA-N 1 2 245.286 0.800 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987176 588929256 /nfs/dbraw/zinc/92/92/56/588929256.db2.gz VOUVUHSOBVNOTG-IUCAKERBSA-N 1 2 223.276 0.869 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc[nH]c1=O ZINC000857988275 588929461 /nfs/dbraw/zinc/92/94/61/588929461.db2.gz HNYKBKPBGXJIMH-SECBINFHSA-N 1 2 244.254 0.859 20 0 BCADLO CO[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCSC1 ZINC000896305987 583789863 /nfs/dbraw/zinc/78/98/63/583789863.db2.gz VCEXJTQXZAJDCD-JTQLQIEISA-N 1 2 241.316 0.548 20 0 BCADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](C)O)CCN2 ZINC000857999750 588930456 /nfs/dbraw/zinc/93/04/56/588930456.db2.gz LXQPJFPMVSAYAF-MRVPVSSYSA-N 1 2 221.260 0.529 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896482621 583805993 /nfs/dbraw/zinc/80/59/93/583805993.db2.gz IOGVHFRLWZABHA-MRVPVSSYSA-N 1 2 235.247 0.463 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(-c3c[nH]cn3)no2)C1 ZINC000896482621 583805995 /nfs/dbraw/zinc/80/59/95/583805995.db2.gz IOGVHFRLWZABHA-MRVPVSSYSA-N 1 2 235.247 0.463 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[nH]1 ZINC000896531037 583808515 /nfs/dbraw/zinc/80/85/15/583808515.db2.gz WLQSQXJHFZBGCK-MRVPVSSYSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[nH]1 ZINC000896531037 583808516 /nfs/dbraw/zinc/80/85/16/583808516.db2.gz WLQSQXJHFZBGCK-MRVPVSSYSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n[nH]1 ZINC000896531037 583808517 /nfs/dbraw/zinc/80/85/17/583808517.db2.gz WLQSQXJHFZBGCK-MRVPVSSYSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n[nH]1 ZINC000896531037 583808518 /nfs/dbraw/zinc/80/85/18/583808518.db2.gz WLQSQXJHFZBGCK-MRVPVSSYSA-N 1 2 237.307 0.924 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546770 583809788 /nfs/dbraw/zinc/80/97/88/583809788.db2.gz WYKMYBFBFBODJE-KKOKHZNYSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896546770 583809791 /nfs/dbraw/zinc/80/97/91/583809791.db2.gz WYKMYBFBFBODJE-KKOKHZNYSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896571469 583813557 /nfs/dbraw/zinc/81/35/57/583813557.db2.gz KBAGYKRXZCPDOY-GHMZBOCLSA-N 1 2 241.379 0.783 20 0 BCADLO C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000896571469 583813559 /nfs/dbraw/zinc/81/35/59/583813559.db2.gz KBAGYKRXZCPDOY-GHMZBOCLSA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896573828 583814024 /nfs/dbraw/zinc/81/40/24/583814024.db2.gz CEBSEYYKIZUVKV-SDDRHHMPSA-N 1 2 241.379 0.783 20 0 BCADLO CC[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896573828 583814026 /nfs/dbraw/zinc/81/40/26/583814026.db2.gz CEBSEYYKIZUVKV-SDDRHHMPSA-N 1 2 241.379 0.783 20 0 BCADLO CCn1c[nH+]c2c1CCN(c1ncnn1C)C2 ZINC000896655627 583821444 /nfs/dbraw/zinc/82/14/44/583821444.db2.gz ZWQJVKDFLQBEIV-UHFFFAOYSA-N 1 2 232.291 0.594 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](CO)C1 ZINC000896691926 583823849 /nfs/dbraw/zinc/82/38/49/583823849.db2.gz RTNKTUWXMHCTNN-LJGSYFOKSA-N 1 2 224.264 0.250 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](CO)C1 ZINC000896691926 583823847 /nfs/dbraw/zinc/82/38/47/583823847.db2.gz RTNKTUWXMHCTNN-LJGSYFOKSA-N 1 2 224.264 0.250 20 0 BCADLO Cc1[nH]c(CNC(=O)CC(C)(C)O)[nH+]c1C ZINC000896910382 583852854 /nfs/dbraw/zinc/85/28/54/583852854.db2.gz NZBLDFOLRRMIIW-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cn[nH]n2)[nH+]c1C ZINC000896922873 583856741 /nfs/dbraw/zinc/85/67/41/583856741.db2.gz FEHYNZQUSHHDES-UHFFFAOYSA-N 1 2 220.236 0.075 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnn[nH]2)[nH+]c1C ZINC000896922873 583856743 /nfs/dbraw/zinc/85/67/43/583856743.db2.gz FEHYNZQUSHHDES-UHFFFAOYSA-N 1 2 220.236 0.075 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnc[nH]2)[nH+]c1C ZINC000896921744 583857072 /nfs/dbraw/zinc/85/70/72/583857072.db2.gz REWFIOWIRXLUJL-UHFFFAOYSA-N 1 2 219.248 0.680 20 0 BCADLO CONC(=O)C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000896923078 583857114 /nfs/dbraw/zinc/85/71/14/583857114.db2.gz BAIJJQTUMKHJMN-FAUIJHMISA-N 1 2 242.319 0.457 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000896924439 583857649 /nfs/dbraw/zinc/85/76/49/583857649.db2.gz MOIKHACKRZRFRE-PHDIDXHHSA-N 1 2 208.208 0.297 20 0 BCADLO CO[N-]C(=O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000896925849 583858242 /nfs/dbraw/zinc/85/82/42/583858242.db2.gz BVBJRGWXHVDORU-UHFFFAOYSA-N 1 2 237.303 0.590 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000896925820 583858246 /nfs/dbraw/zinc/85/82/46/583858246.db2.gz ANTUDZMHZOEELX-VIFPVBQESA-N 1 2 230.308 0.601 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000896924112 583858453 /nfs/dbraw/zinc/85/84/53/583858453.db2.gz KKBDYNZFSQAMFH-ZCFIWIBFSA-N 1 2 222.235 0.687 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CSCCF ZINC000896924098 583858657 /nfs/dbraw/zinc/85/86/57/583858657.db2.gz KELGJQKFPNFZHH-SSDOTTSWSA-N 1 2 224.301 0.345 20 0 BCADLO CONC(=O)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000896927008 583858821 /nfs/dbraw/zinc/85/88/21/583858821.db2.gz NUGZNOPZELLBMN-ZJUUUORDSA-N 1 2 212.293 0.832 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000896928226 583859223 /nfs/dbraw/zinc/85/92/23/583859223.db2.gz YDWXQAIDBALIHP-SECBINFHSA-N 1 2 238.287 0.590 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CC1CCC1 ZINC000896926382 583859803 /nfs/dbraw/zinc/85/98/03/583859803.db2.gz JCDNGHLKRPUMIQ-QMMMGPOBSA-N 1 2 200.282 0.832 20 0 BCADLO CCOC(=O)CC(C)(C)C[NH2+]CC(=O)NOC ZINC000896926703 583860301 /nfs/dbraw/zinc/86/03/01/583860301.db2.gz KXBITFNSCDOBOH-UHFFFAOYSA-N 1 2 246.307 0.233 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CC1CCC1 ZINC000896926381 583860348 /nfs/dbraw/zinc/86/03/48/583860348.db2.gz JCDNGHLKRPUMIQ-MRVPVSSYSA-N 1 2 200.282 0.832 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072693 583875975 /nfs/dbraw/zinc/87/59/75/583875975.db2.gz YCDYWDZHONZLPV-DMAGGPPCSA-N 1 2 248.286 0.655 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072693 583875977 /nfs/dbraw/zinc/87/59/77/583875977.db2.gz YCDYWDZHONZLPV-DMAGGPPCSA-N 1 2 248.286 0.655 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc(N)[nH+]1 ZINC000897072302 583878108 /nfs/dbraw/zinc/87/81/08/583878108.db2.gz KFSMONQLASRDRE-DMAGGPPCSA-N 1 2 233.275 0.350 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC000897072302 583878112 /nfs/dbraw/zinc/87/81/12/583878112.db2.gz KFSMONQLASRDRE-DMAGGPPCSA-N 1 2 233.275 0.350 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)c1[nH+]cnc2c1cnn2C ZINC000897144717 583885639 /nfs/dbraw/zinc/88/56/39/583885639.db2.gz MYUXAZUWKCFAMH-ZJUUUORDSA-N 1 2 247.302 0.977 20 0 BCADLO C[C@](O)(CNC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000751406778 583903705 /nfs/dbraw/zinc/90/37/05/583903705.db2.gz GNDKJTAEXGKILI-LBPRGKRZSA-N 1 2 249.270 0.500 20 0 BCADLO Cn1cnc(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000788021431 583934783 /nfs/dbraw/zinc/93/47/83/583934783.db2.gz PHCQYVZNLCYGFP-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1cnc(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000788021431 583934785 /nfs/dbraw/zinc/93/47/85/583934785.db2.gz PHCQYVZNLCYGFP-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO Cn1c[nH+]c(CN2CCCC3(C2)OCCO3)c1 ZINC000788021431 583934788 /nfs/dbraw/zinc/93/47/88/583934788.db2.gz PHCQYVZNLCYGFP-UHFFFAOYSA-N 1 2 237.303 0.759 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000897363048 583941506 /nfs/dbraw/zinc/94/15/06/583941506.db2.gz GWFFXGQJECZJRV-KOLCDFICSA-N 1 2 237.303 0.504 20 0 BCADLO CCc1nc(N2CC[C@H](O)[C@@H](F)C2)cc[nH+]1 ZINC000897375612 583945304 /nfs/dbraw/zinc/94/53/04/583945304.db2.gz YWQHBHUWSXOCOY-IUCAKERBSA-N 1 2 225.267 0.948 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000858318557 588944340 /nfs/dbraw/zinc/94/43/40/588944340.db2.gz MJGMIVPQHQSIHV-ZETCQYMHSA-N 1 2 243.332 0.949 20 0 BCADLO CCn1ccnc1C[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858320464 588945099 /nfs/dbraw/zinc/94/50/99/588945099.db2.gz VJZLZKLDXMGKNG-VIFPVBQESA-N 1 2 240.307 0.401 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCCNC(=O)C1)C(F)(F)F ZINC000799120240 583957074 /nfs/dbraw/zinc/95/70/74/583957074.db2.gz JNBTVFNMWPVPCY-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO C[C@@](O)(C[N@H+]1CCCNC(=O)C1)C(F)(F)F ZINC000799120240 583957075 /nfs/dbraw/zinc/95/70/75/583957075.db2.gz JNBTVFNMWPVPCY-MRVPVSSYSA-N 1 2 240.225 0.122 20 0 BCADLO CCNC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729162954 583961603 /nfs/dbraw/zinc/96/16/03/583961603.db2.gz ZOJXOZFNSFTPSQ-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CCNC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC000729162954 583961604 /nfs/dbraw/zinc/96/16/04/583961604.db2.gz ZOJXOZFNSFTPSQ-VIFPVBQESA-N 1 2 231.365 0.191 20 0 BCADLO CCCNC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC000729160793 583961847 /nfs/dbraw/zinc/96/18/47/583961847.db2.gz DWHKFWCJRLUWKU-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO CCCNC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC000729160793 583961849 /nfs/dbraw/zinc/96/18/49/583961849.db2.gz DWHKFWCJRLUWKU-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO O=c1ccn(CCCNc2cccc[nH+]2)c(=O)[nH]1 ZINC000897425310 583965740 /nfs/dbraw/zinc/96/57/40/583965740.db2.gz NNHRBSLJTSIHNG-UHFFFAOYSA-N 1 2 246.270 0.846 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000858220409 588939509 /nfs/dbraw/zinc/93/95/09/588939509.db2.gz XZFWUBLJPMPXKM-UHFFFAOYSA-N 1 2 240.307 0.608 20 0 BCADLO COc1cc(NCc2cn(C)c[nH+]2)[nH]n1 ZINC000858230946 588939717 /nfs/dbraw/zinc/93/97/17/588939717.db2.gz KBHPCQYQIJFZNV-UHFFFAOYSA-N 1 2 207.237 0.764 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC[C@@H]3CO)cc2[nH+]1 ZINC000889159638 583982979 /nfs/dbraw/zinc/98/29/79/583982979.db2.gz LEWMPUSKKKGDKE-LLVKDONJSA-N 1 2 245.282 0.850 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=COCC1 ZINC000729261228 583984270 /nfs/dbraw/zinc/98/42/70/583984270.db2.gz XLUARVKMUFZPNM-SECBINFHSA-N 1 2 221.260 0.692 20 0 BCADLO CCNC(=S)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729649317 584021041 /nfs/dbraw/zinc/02/10/41/584021041.db2.gz XGVFINORANZBBL-NXEZZACHSA-N 1 2 245.392 0.580 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@H](O)C[C@H](O)C2)[nH+]c1 ZINC000865577648 584024372 /nfs/dbraw/zinc/02/43/72/584024372.db2.gz MXNLJWKVQUUSIH-INTQDDNPSA-N 1 2 238.287 0.067 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cn1 ZINC000729851833 584027463 /nfs/dbraw/zinc/02/74/63/584027463.db2.gz OTWKEUHXOFWQQY-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H]2CCCCNC2=O)cn1 ZINC000729851833 584027464 /nfs/dbraw/zinc/02/74/64/584027464.db2.gz OTWKEUHXOFWQQY-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO Cc1cn(C(C)(C)C(=O)N(C)CCCO)c[nH+]1 ZINC000897667610 584035542 /nfs/dbraw/zinc/03/55/42/584035542.db2.gz QUDWFIDRSZUANN-UHFFFAOYSA-N 1 2 239.319 0.767 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C ZINC000897676728 584035909 /nfs/dbraw/zinc/03/59/09/584035909.db2.gz WUZTYEZWHBGDRL-CPCISQLKSA-N 1 2 209.293 0.839 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C ZINC000897676728 584035910 /nfs/dbraw/zinc/03/59/10/584035910.db2.gz WUZTYEZWHBGDRL-CPCISQLKSA-N 1 2 209.293 0.839 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cn(C3CCC3)nn2)C[C@H]1O ZINC000897681267 584039450 /nfs/dbraw/zinc/03/94/50/584039450.db2.gz ZUYHJQFKLWUITM-BXKDBHETSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@H]1O ZINC000897681267 584039452 /nfs/dbraw/zinc/03/94/52/584039452.db2.gz ZUYHJQFKLWUITM-BXKDBHETSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000897729834 584046143 /nfs/dbraw/zinc/04/61/43/584046143.db2.gz GBXRTKQGIWYQQN-HOSYDEDBSA-N 1 2 249.314 0.739 20 0 BCADLO Cn1cc[nH+]c1CN1CC(N2CCCC2=O)C1 ZINC000897786419 584048001 /nfs/dbraw/zinc/04/80/01/584048001.db2.gz OOWHHSKUIDKLDH-UHFFFAOYSA-N 1 2 234.303 0.227 20 0 BCADLO C[C@@]1([NH2+]Cc2cc3n(n2)CCCC3)CCNC1=O ZINC000897869427 584056188 /nfs/dbraw/zinc/05/61/88/584056188.db2.gz RMCYDCVSUSADHA-CYBMUJFWSA-N 1 2 248.330 0.588 20 0 BCADLO COc1nn(C)cc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000898025763 584076782 /nfs/dbraw/zinc/07/67/82/584076782.db2.gz PMGAEXPMDOVRRC-UHFFFAOYSA-N 1 2 249.318 0.760 20 0 BCADLO Cc1c[nH+]cn1CC(=O)NC(C)(C)c1c[nH]nn1 ZINC000898144675 584086540 /nfs/dbraw/zinc/08/65/40/584086540.db2.gz PHYOMFUBWSWLJP-UHFFFAOYSA-N 1 2 248.290 0.361 20 0 BCADLO CCn1nccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186113 584093218 /nfs/dbraw/zinc/09/32/18/584093218.db2.gz BDWWKPZUJFUNQF-GHMZBOCLSA-N 1 2 227.283 0.808 20 0 BCADLO CCn1nccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186113 584093220 /nfs/dbraw/zinc/09/32/20/584093220.db2.gz BDWWKPZUJFUNQF-GHMZBOCLSA-N 1 2 227.283 0.808 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](O)[C@@H](F)C2)[nH+]1 ZINC000898188158 584094261 /nfs/dbraw/zinc/09/42/61/584094261.db2.gz KQLTUKKJZZOGSH-IUCAKERBSA-N 1 2 213.256 0.623 20 0 BCADLO O[C@H]1CC[N@H+](Cc2cnn3c2CCC3)C[C@@H]1F ZINC000898188747 584094860 /nfs/dbraw/zinc/09/48/60/584094860.db2.gz ORRCTFCSRWFYRJ-JQWIXIFHSA-N 1 2 239.294 0.734 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2cnn3c2CCC3)C[C@@H]1F ZINC000898188747 584094862 /nfs/dbraw/zinc/09/48/62/584094862.db2.gz ORRCTFCSRWFYRJ-JQWIXIFHSA-N 1 2 239.294 0.734 20 0 BCADLO C/C=C\C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000730034952 584100391 /nfs/dbraw/zinc/10/03/91/584100391.db2.gz IIDRAGWLTZOLKO-ARJAWSKDSA-N 1 2 248.330 0.640 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@H]2CO)c1 ZINC000889164980 584117749 /nfs/dbraw/zinc/11/77/49/584117749.db2.gz POIMGTNZJJIEPH-PBKGFPTLSA-N 1 2 221.260 0.027 20 0 BCADLO O=C1OCC[C@@H]1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562745 584127766 /nfs/dbraw/zinc/12/77/66/584127766.db2.gz DHXPTWWFOBKHBA-IUCAKERBSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@@H]1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562745 584127767 /nfs/dbraw/zinc/12/77/67/584127767.db2.gz DHXPTWWFOBKHBA-IUCAKERBSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@H]1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562746 584127811 /nfs/dbraw/zinc/12/78/11/584127811.db2.gz DHXPTWWFOBKHBA-RKDXNWHRSA-N 1 2 249.257 0.906 20 0 BCADLO O=C1OCC[C@H]1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562746 584127812 /nfs/dbraw/zinc/12/78/12/584127812.db2.gz DHXPTWWFOBKHBA-RKDXNWHRSA-N 1 2 249.257 0.906 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490555 584139944 /nfs/dbraw/zinc/13/99/44/584139944.db2.gz TVOBURLDSLLHSA-ZJUUUORDSA-N 1 2 232.299 0.571 20 0 BCADLO CO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490555 584139945 /nfs/dbraw/zinc/13/99/45/584139945.db2.gz TVOBURLDSLLHSA-ZJUUUORDSA-N 1 2 232.299 0.571 20 0 BCADLO CCON(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615216 584146921 /nfs/dbraw/zinc/14/69/21/584146921.db2.gz GYIANNUTTMQVSU-UHFFFAOYSA-N 1 2 226.280 0.903 20 0 BCADLO CC[C@](C)(O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898629463 584147098 /nfs/dbraw/zinc/14/70/98/584147098.db2.gz LJTFQARHAOGEJP-NSHDSACASA-N 1 2 240.307 0.380 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000898744780 584156165 /nfs/dbraw/zinc/15/61/65/584156165.db2.gz HOHQAGZBKBCCQS-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000898744780 584156166 /nfs/dbraw/zinc/15/61/66/584156166.db2.gz HOHQAGZBKBCCQS-SSDOTTSWSA-N 1 2 209.253 0.146 20 0 BCADLO Nc1cccnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898810035 584160173 /nfs/dbraw/zinc/16/01/73/584160173.db2.gz HNQHCUNBVNVDCD-VIFPVBQESA-N 1 2 243.270 0.735 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898811599 584160209 /nfs/dbraw/zinc/16/02/09/584160209.db2.gz UZKRQIRNBDZIMM-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO Cn1cccc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898879685 584162299 /nfs/dbraw/zinc/16/22/99/584162299.db2.gz ROVJFIVFNULUHI-SECBINFHSA-N 1 2 248.286 0.222 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CCC1 ZINC000898880277 584162536 /nfs/dbraw/zinc/16/25/36/584162536.db2.gz ASBNGWCRXCXBOD-VIFPVBQESA-N 1 2 223.276 0.370 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccncc1 ZINC000898881563 584164792 /nfs/dbraw/zinc/16/47/92/584164792.db2.gz NGGYZUXFPQYETR-SNVBAGLBSA-N 1 2 246.270 0.279 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C2CC2)CC1 ZINC000898896485 584165043 /nfs/dbraw/zinc/16/50/43/584165043.db2.gz QIJYCCFJUPARLL-SNVBAGLBSA-N 1 2 249.314 0.760 20 0 BCADLO CC(C)(CNC(=O)c1ccnnc1)n1cc[nH+]c1 ZINC000898905353 584165055 /nfs/dbraw/zinc/16/50/55/584165055.db2.gz YLMFUFNFDRKBHZ-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO O=C(NC/C=C\Cl)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000899033164 584171526 /nfs/dbraw/zinc/17/15/26/584171526.db2.gz SIGZTIOSHCQZOA-SLYZXXNYSA-N 1 2 240.694 0.860 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC000899138596 584177524 /nfs/dbraw/zinc/17/75/24/584177524.db2.gz BZECYMVODIMUGI-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC000899138596 584177526 /nfs/dbraw/zinc/17/75/26/584177526.db2.gz BZECYMVODIMUGI-LLVKDONJSA-N 1 2 238.331 0.623 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000899221962 584184009 /nfs/dbraw/zinc/18/40/09/584184009.db2.gz ZXGGXQRWJQVPON-HBNTYKKESA-N 1 2 244.310 0.571 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000899221962 584184011 /nfs/dbraw/zinc/18/40/11/584184011.db2.gz ZXGGXQRWJQVPON-HBNTYKKESA-N 1 2 244.310 0.571 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000899246479 584187271 /nfs/dbraw/zinc/18/72/71/584187271.db2.gz RNGGSWUILQSNOY-NRUUGDAUSA-N 1 2 247.298 0.351 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12C[C@H]1COC2 ZINC000899246494 584187393 /nfs/dbraw/zinc/18/73/93/584187393.db2.gz SFIPVUMKMOFFRG-WTBMIXGQSA-N 1 2 247.298 0.429 20 0 BCADLO Cn1cnc(CNc2[nH+]cnc3c2cnn3C)c1 ZINC000899262850 584190671 /nfs/dbraw/zinc/19/06/71/584190671.db2.gz SLTCLHBLGGQVRC-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO CN(CCCF)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000899811723 584239017 /nfs/dbraw/zinc/23/90/17/584239017.db2.gz OZWXYLKVHGRCGD-UHFFFAOYSA-N 1 2 246.326 0.915 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000899868925 584243621 /nfs/dbraw/zinc/24/36/21/584243621.db2.gz IXCFOTFYNDDKRG-GFCCVEGCSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000899868925 584243623 /nfs/dbraw/zinc/24/36/23/584243623.db2.gz IXCFOTFYNDDKRG-GFCCVEGCSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000899868926 584243773 /nfs/dbraw/zinc/24/37/73/584243773.db2.gz IXCFOTFYNDDKRG-LBPRGKRZSA-N 1 2 246.318 0.942 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000899868926 584243775 /nfs/dbraw/zinc/24/37/75/584243775.db2.gz IXCFOTFYNDDKRG-LBPRGKRZSA-N 1 2 246.318 0.942 20 0 BCADLO CC[NH+]1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000899908277 584248640 /nfs/dbraw/zinc/24/86/40/584248640.db2.gz WJIUFZVODXGULJ-UHFFFAOYSA-N 1 2 226.255 0.327 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000858579302 588968927 /nfs/dbraw/zinc/96/89/27/588968927.db2.gz DLIPYZGBPTZTFP-IUCAKERBSA-N 1 2 240.307 0.479 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899921754 584256431 /nfs/dbraw/zinc/25/64/31/584256431.db2.gz ZNVVLKRFOAESJV-WUWIAWFRSA-N 1 2 223.276 0.326 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)CCOC1CC1 ZINC000899962858 584260052 /nfs/dbraw/zinc/26/00/52/584260052.db2.gz ABIAMECHDIVIRU-UHFFFAOYSA-N 1 2 244.316 0.514 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)NC1=[NH+]CCS1 ZINC000900005831 584264397 /nfs/dbraw/zinc/26/43/97/584264397.db2.gz KLICURAFLLLCNF-RQJHMYQMSA-N 1 2 216.306 0.612 20 0 BCADLO COc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900051441 584268589 /nfs/dbraw/zinc/26/85/89/584268589.db2.gz WAFATPYCVXKEBU-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COc1ccc(CNC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900051441 584268590 /nfs/dbraw/zinc/26/85/90/584268590.db2.gz WAFATPYCVXKEBU-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO COC(=O)[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900102223 584271624 /nfs/dbraw/zinc/27/16/24/584271624.db2.gz PWRHBQNEWOTDND-QMMMGPOBSA-N 1 2 237.259 0.171 20 0 BCADLO C/C(=C/C(=O)NCC1CC1)C[NH+]1CCOCC1 ZINC000900082128 584272169 /nfs/dbraw/zinc/27/21/69/584272169.db2.gz KJYLOKZBCRPBBH-FLIBITNWSA-N 1 2 238.331 0.791 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000900107733 584276736 /nfs/dbraw/zinc/27/67/36/584276736.db2.gz VHJJTGBVRTZSJB-SNVBAGLBSA-N 1 2 223.276 0.590 20 0 BCADLO CCCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000900146542 584278395 /nfs/dbraw/zinc/27/83/95/584278395.db2.gz PXFBJBKZXMGGGB-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CCO ZINC000900148602 584279112 /nfs/dbraw/zinc/27/91/12/584279112.db2.gz KVCNRXPZUWAUGA-LLVKDONJSA-N 1 2 237.303 0.716 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC[C@H](C)O ZINC000900147743 584279288 /nfs/dbraw/zinc/27/92/88/584279288.db2.gz UXQWTECGOIDLME-QMMMGPOBSA-N 1 2 223.276 0.542 20 0 BCADLO CCCN(CCO)C(=O)CNc1cccc[nH+]1 ZINC000900149508 584279854 /nfs/dbraw/zinc/27/98/54/584279854.db2.gz ZISRPBIONIPBET-UHFFFAOYSA-N 1 2 237.303 0.724 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)N(C)C(C)(C)C2=O)c1 ZINC000900158851 584280577 /nfs/dbraw/zinc/28/05/77/584280577.db2.gz XBXCPKDDRRCPSF-UHFFFAOYSA-N 1 2 236.275 0.593 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)[C@@H]3CCCCN3C2=O)c1 ZINC000900159046 584280627 /nfs/dbraw/zinc/28/06/27/584280627.db2.gz ZSWVVJGCBGWKET-JTQLQIEISA-N 1 2 248.286 0.737 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)N[C@@H](C3CC3)C2=O)c1 ZINC000900158194 584280652 /nfs/dbraw/zinc/28/06/52/584280652.db2.gz QXISKNDNFYZWKC-VIFPVBQESA-N 1 2 234.259 0.251 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900189468 584284511 /nfs/dbraw/zinc/28/45/11/584284511.db2.gz ZLYVRPKXESNHSW-VIFPVBQESA-N 1 2 233.275 0.354 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900189468 584284513 /nfs/dbraw/zinc/28/45/13/584284513.db2.gz ZLYVRPKXESNHSW-VIFPVBQESA-N 1 2 233.275 0.354 20 0 BCADLO O=C(NCC[NH+]1CCCCC1)c1[nH]ncc1F ZINC000900207247 584285895 /nfs/dbraw/zinc/28/58/95/584285895.db2.gz RGGVAWMQLFHDGS-UHFFFAOYSA-N 1 2 240.282 0.765 20 0 BCADLO C/C(Cl)=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000900210163 584286293 /nfs/dbraw/zinc/28/62/93/584286293.db2.gz XSLNFMYGOFIYCD-UJICNMFASA-N 1 2 246.738 0.966 20 0 BCADLO Cc1ncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1C ZINC000900214564 584286372 /nfs/dbraw/zinc/28/63/72/584286372.db2.gz FEGHXZDJCSTUQB-VIFPVBQESA-N 1 2 247.302 0.744 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000900215943 584286514 /nfs/dbraw/zinc/28/65/14/584286514.db2.gz QZYTXHUNABUGEH-QKMQQOOLSA-N 1 2 223.276 0.325 20 0 BCADLO C/C(Cl)=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000900210160 584286636 /nfs/dbraw/zinc/28/66/36/584286636.db2.gz XSLNFMYGOFIYCD-PCYYEKQGSA-N 1 2 246.738 0.966 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1n[nH]cc1F ZINC000900215279 584286755 /nfs/dbraw/zinc/28/67/55/584286755.db2.gz MEGJLHLMLYSMQX-ZETCQYMHSA-N 1 2 237.238 0.564 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCCSCC1 ZINC000900230802 584289189 /nfs/dbraw/zinc/28/91/89/584289189.db2.gz QPFOPBQXIMEIOW-UHFFFAOYSA-N 1 2 225.317 0.918 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccncc1 ZINC000900305127 584293460 /nfs/dbraw/zinc/29/34/60/584293460.db2.gz DZLKDHJKKRIAPF-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCc1ccncc1 ZINC000900305127 584293461 /nfs/dbraw/zinc/29/34/61/584293461.db2.gz DZLKDHJKKRIAPF-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900563069 584325065 /nfs/dbraw/zinc/32/50/65/584325065.db2.gz ONYQCHHWYVZBMN-BRAIEQGRSA-N 1 2 237.303 0.754 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900561470 584325084 /nfs/dbraw/zinc/32/50/84/584325084.db2.gz JFMXDMBTMPQJNL-AAJWOFDGSA-N 1 2 249.314 0.984 20 0 BCADLO CC[C@H](O)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000900563981 584325504 /nfs/dbraw/zinc/32/55/04/584325504.db2.gz SXWJLCVENDYUBS-IUCAKERBSA-N 1 2 225.292 0.443 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000900563980 584325908 /nfs/dbraw/zinc/32/59/08/584325908.db2.gz SXWJLCVENDYUBS-DTWKUNHWSA-N 1 2 225.292 0.443 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000900575158 584327298 /nfs/dbraw/zinc/32/72/98/584327298.db2.gz RVIMRVWGCTYHDT-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO CN(C(=O)CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000900611038 584331201 /nfs/dbraw/zinc/33/12/01/584331201.db2.gz PHDPNDGJSXSVSO-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1cn(C)c(=O)n1C ZINC000900618324 584332240 /nfs/dbraw/zinc/33/22/40/584332240.db2.gz JAMULEQQSCWLGT-UHFFFAOYSA-N 1 2 246.270 0.101 20 0 BCADLO CCC/C=C/[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900647834 584335171 /nfs/dbraw/zinc/33/51/71/584335171.db2.gz SYKNKYHFFSAVBH-ORAHPGNNSA-N 1 2 237.303 0.786 20 0 BCADLO CCOC(=O)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900696258 584339123 /nfs/dbraw/zinc/33/91/23/584339123.db2.gz ULOSJJDQOBVWFM-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO C=CC(=O)N(CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000900671621 584339836 /nfs/dbraw/zinc/33/98/36/584339836.db2.gz JQHHEJGRKRDGFV-UHFFFAOYSA-N 1 2 247.298 0.785 20 0 BCADLO COC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900699005 584342884 /nfs/dbraw/zinc/34/28/84/584342884.db2.gz OHUBNKYAQJKFSM-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CCCC1 ZINC000900698585 584342888 /nfs/dbraw/zinc/34/28/88/584342888.db2.gz GPHWDVLYNYWWMQ-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCC1(O)CCCC1 ZINC000900698585 584342889 /nfs/dbraw/zinc/34/28/89/584342889.db2.gz GPHWDVLYNYWWMQ-UHFFFAOYSA-N 1 2 223.276 0.374 20 0 BCADLO O=C(c1n[nH]cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000900717116 584344651 /nfs/dbraw/zinc/34/46/51/584344651.db2.gz LIOGSDJGDUKQJG-UHFFFAOYSA-N 1 2 235.222 0.442 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCCNc1cccc[nH+]1 ZINC000900754529 584345734 /nfs/dbraw/zinc/34/57/34/584345734.db2.gz KMMIJLSDQONUCT-SZHMKSFOSA-N 1 2 249.314 0.937 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781518 584350140 /nfs/dbraw/zinc/35/01/40/584350140.db2.gz SGXUBFFGKMWOBR-LWTINBJPSA-N 1 2 223.276 0.743 20 0 BCADLO CCC/C=C\[C@H](O)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781518 584350141 /nfs/dbraw/zinc/35/01/41/584350141.db2.gz SGXUBFFGKMWOBR-LWTINBJPSA-N 1 2 223.276 0.743 20 0 BCADLO CSC[C@@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900788977 584352186 /nfs/dbraw/zinc/35/21/86/584352186.db2.gz YEIAQKIOKBSSOY-JTQLQIEISA-N 1 2 243.332 0.182 20 0 BCADLO CSC[C@@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900788977 584352188 /nfs/dbraw/zinc/35/21/88/584352188.db2.gz YEIAQKIOKBSSOY-JTQLQIEISA-N 1 2 243.332 0.182 20 0 BCADLO COC(=O)CC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900812472 584354422 /nfs/dbraw/zinc/35/44/22/584354422.db2.gz CABCDZNDGLSYNF-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO COC(=O)CC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900812472 584354423 /nfs/dbraw/zinc/35/44/23/584354423.db2.gz CABCDZNDGLSYNF-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC[C@@H](C(=O)NCc1cn(C)c[nH+]1)[C@H](C)O ZINC000900830085 584355288 /nfs/dbraw/zinc/35/52/88/584355288.db2.gz RTMBNCGMEABJIB-WCBMZHEXSA-N 1 2 225.292 0.443 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900857888 584358078 /nfs/dbraw/zinc/35/80/78/584358078.db2.gz ZIEPAGRHRXZVEL-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C)[C@](C)(O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900857888 584358079 /nfs/dbraw/zinc/35/80/79/584358079.db2.gz ZIEPAGRHRXZVEL-JOYOIKCWSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900865871 584362236 /nfs/dbraw/zinc/36/22/36/584362236.db2.gz YMTUFRAKWBYDDJ-MWLCHTKSSA-N 1 2 237.303 0.978 20 0 BCADLO CN(C[C@@H](O)C1CC1)C(=O)CNc1cccc[nH+]1 ZINC000901004930 584373508 /nfs/dbraw/zinc/37/35/08/584373508.db2.gz ROFULUTZIXGNEO-LLVKDONJSA-N 1 2 249.314 0.723 20 0 BCADLO CNc1[nH+]c(C)ccc1C(=O)NC1(C(N)=O)CC1 ZINC000901041919 584376787 /nfs/dbraw/zinc/37/67/87/584376787.db2.gz YABUCPFWHZYRKA-UHFFFAOYSA-N 1 2 248.286 0.179 20 0 BCADLO Cc1nc(N2C[C@@H]3COC(=O)[C@@H]3C2)cc[nH+]1 ZINC000858850673 588978778 /nfs/dbraw/zinc/97/87/78/588978778.db2.gz XMUAXIRMZPSXIW-RKDXNWHRSA-N 1 2 219.244 0.394 20 0 BCADLO Cc1ccc([C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000901073912 584381353 /nfs/dbraw/zinc/38/13/53/584381353.db2.gz CHHVLJOYJUIINZ-JTQLQIEISA-N 1 2 249.270 0.703 20 0 BCADLO Cc1ccc([C@@H](O)CNC(=O)Cc2c[nH+]c[nH]2)o1 ZINC000901073912 584381354 /nfs/dbraw/zinc/38/13/54/584381354.db2.gz CHHVLJOYJUIINZ-JTQLQIEISA-N 1 2 249.270 0.703 20 0 BCADLO Cc1ccc([C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000901073913 584381644 /nfs/dbraw/zinc/38/16/44/584381644.db2.gz CHHVLJOYJUIINZ-SNVBAGLBSA-N 1 2 249.270 0.703 20 0 BCADLO Cc1ccc([C@H](O)CNC(=O)Cc2c[nH+]c[nH]2)o1 ZINC000901073913 584381645 /nfs/dbraw/zinc/38/16/45/584381645.db2.gz CHHVLJOYJUIINZ-SNVBAGLBSA-N 1 2 249.270 0.703 20 0 BCADLO CCC[N@@H+]1CCC[C@@H]1C(=O)N=c1nc[nH]n1C ZINC000901083945 584382981 /nfs/dbraw/zinc/38/29/81/584382981.db2.gz VTFMOMWXTAEBFY-SECBINFHSA-N 1 2 237.307 0.050 20 0 BCADLO CCC[N@H+]1CCC[C@@H]1C(=O)N=c1nc[nH]n1C ZINC000901083945 584382983 /nfs/dbraw/zinc/38/29/83/584382983.db2.gz VTFMOMWXTAEBFY-SECBINFHSA-N 1 2 237.307 0.050 20 0 BCADLO C[C@H]1N(C(=O)Cc2c[nH+]c[nH]2)CCOC1(C)C ZINC000901089015 584383781 /nfs/dbraw/zinc/38/37/81/584383781.db2.gz MUIJZCZYTILFKC-SECBINFHSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@H](CCO)NC(=O)CNc1cccc[nH+]1 ZINC000901094866 584384777 /nfs/dbraw/zinc/38/47/77/584384777.db2.gz RTDRECQFIIWRGW-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO C/C=C/[C@@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901119894 584386407 /nfs/dbraw/zinc/38/64/07/584386407.db2.gz VTZIXGPUIOPNPH-JOAKQRRISA-N 1 2 237.303 0.669 20 0 BCADLO CC(C)(C)C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901157951 584389049 /nfs/dbraw/zinc/38/90/49/584389049.db2.gz OACGTRDIHZKISI-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)C[C@@H](CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901157951 584389050 /nfs/dbraw/zinc/38/90/50/584389050.db2.gz OACGTRDIHZKISI-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CCO)C1 ZINC000901142838 584390430 /nfs/dbraw/zinc/39/04/30/584390430.db2.gz HZKHLUHHUIJRKA-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CCO)C1 ZINC000901142837 584390564 /nfs/dbraw/zinc/39/05/64/584390564.db2.gz HZKHLUHHUIJRKA-JTQLQIEISA-N 1 2 237.303 0.573 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901146554 584390857 /nfs/dbraw/zinc/39/08/57/584390857.db2.gz ANUKTSVJCROHMM-CPDSCTDBSA-N 1 2 235.287 0.320 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000901146554 584390860 /nfs/dbraw/zinc/39/08/60/584390860.db2.gz ANUKTSVJCROHMM-CPDSCTDBSA-N 1 2 235.287 0.320 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901146553 584390970 /nfs/dbraw/zinc/39/09/70/584390970.db2.gz ANUKTSVJCROHMM-ANAICSTCSA-N 1 2 235.287 0.320 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000901146553 584390971 /nfs/dbraw/zinc/39/09/71/584390971.db2.gz ANUKTSVJCROHMM-ANAICSTCSA-N 1 2 235.287 0.320 20 0 BCADLO CC1(O)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901147446 584391281 /nfs/dbraw/zinc/39/12/81/584391281.db2.gz HNIUAEADOMQHAP-UHFFFAOYSA-N 1 2 221.260 0.087 20 0 BCADLO C[C@@H]1COCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901151775 584391508 /nfs/dbraw/zinc/39/15/08/584391508.db2.gz KMVIQFXXWYHQOW-SECBINFHSA-N 1 2 223.276 0.590 20 0 BCADLO CCC(C)(C)C(=O)C(=O)NCC[NH+]1CCC1 ZINC000901182235 584392400 /nfs/dbraw/zinc/39/24/00/584392400.db2.gz ZVFNYHYLBLKLTE-UHFFFAOYSA-N 1 2 226.320 0.814 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(CC(F)C2)C1 ZINC000901189991 584393805 /nfs/dbraw/zinc/39/38/05/584393805.db2.gz UZMIBIKYWCMRTE-UHFFFAOYSA-N 1 2 223.251 0.913 20 0 BCADLO CS[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901175060 584395759 /nfs/dbraw/zinc/39/57/59/584395759.db2.gz ARSHSGOWFMDFEN-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO CS[C@@H](C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901175060 584395761 /nfs/dbraw/zinc/39/57/61/584395761.db2.gz ARSHSGOWFMDFEN-ZETCQYMHSA-N 1 2 213.306 0.820 20 0 BCADLO COc1ccnc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000901173808 584395806 /nfs/dbraw/zinc/39/58/06/584395806.db2.gz AKLBBKBSIWMQIM-UHFFFAOYSA-N 1 2 246.270 0.672 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H]1CO ZINC000901223851 584411928 /nfs/dbraw/zinc/41/19/28/584411928.db2.gz MKOJQKYNLGHVHW-JTQLQIEISA-N 1 2 235.287 0.477 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901277825 584413157 /nfs/dbraw/zinc/41/31/57/584413157.db2.gz YXHNETGQQVWPPB-CYBMUJFWSA-N 1 2 249.314 0.867 20 0 BCADLO C[C@@H](O)C(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000901278842 584413953 /nfs/dbraw/zinc/41/39/53/584413953.db2.gz MURIPGLWDOQINE-SECBINFHSA-N 1 2 237.303 0.769 20 0 BCADLO C[C@H](NC(=O)CNc1cccc[nH+]1)c1ncon1 ZINC000901267439 584418340 /nfs/dbraw/zinc/41/83/40/584418340.db2.gz LGRMLGIBGGTCDC-QMMMGPOBSA-N 1 2 247.258 0.754 20 0 BCADLO CC[C@]1(C)COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901300242 584418960 /nfs/dbraw/zinc/41/89/60/584418960.db2.gz IZTAUFLAAMXFMK-GFCCVEGCSA-N 1 2 237.303 0.980 20 0 BCADLO O=C(CNc1cccc[nH+]1)N[C@@H](CO)CC1CC1 ZINC000901293444 584423399 /nfs/dbraw/zinc/42/33/99/584423399.db2.gz GGTUGJWIFWLWGU-LLVKDONJSA-N 1 2 249.314 0.771 20 0 BCADLO C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCOC1 ZINC000901316418 584429123 /nfs/dbraw/zinc/42/91/23/584429123.db2.gz WTUNVJWZLFRDNY-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO C[C@@]1(NC(=O)Cc2c[nH+]c[nH]2)CCCOC1 ZINC000901316418 584429124 /nfs/dbraw/zinc/42/91/24/584429124.db2.gz WTUNVJWZLFRDNY-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)OCCF ZINC000858941670 588986619 /nfs/dbraw/zinc/98/66/19/588986619.db2.gz HOZFFNVOMNDMER-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)OCCF ZINC000858941670 588986621 /nfs/dbraw/zinc/98/66/21/588986621.db2.gz HOZFFNVOMNDMER-UHFFFAOYSA-N 1 2 248.298 0.793 20 0 BCADLO Cc1[nH]c(CNc2cncc(CO)n2)[nH+]c1C ZINC000902102606 584523370 /nfs/dbraw/zinc/52/33/70/584523370.db2.gz JOGAIJWTRKWSSM-UHFFFAOYSA-N 1 2 233.275 0.921 20 0 BCADLO C[N@H+](CN1CCOC1=O)[C@H]1CCOC1 ZINC000902122926 584528378 /nfs/dbraw/zinc/52/83/78/584528378.db2.gz ZTHQZYMBDFJUAP-QMMMGPOBSA-N 1 2 200.238 0.117 20 0 BCADLO C[N@@H+](CN1CCOC1=O)[C@H]1CCOC1 ZINC000902122926 584528381 /nfs/dbraw/zinc/52/83/81/584528381.db2.gz ZTHQZYMBDFJUAP-QMMMGPOBSA-N 1 2 200.238 0.117 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OC[C@H]1CNC(=O)C1 ZINC000902123837 584529071 /nfs/dbraw/zinc/52/90/71/584529071.db2.gz PWMNMCIZODPBFS-SNVBAGLBSA-N 1 2 247.298 0.978 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OC[C@@H]1CNC(=O)C1 ZINC000902123836 584529245 /nfs/dbraw/zinc/52/92/45/584529245.db2.gz PWMNMCIZODPBFS-JTQLQIEISA-N 1 2 247.298 0.978 20 0 BCADLO COc1cc[nH+]cc1CN1C(=O)NC[C@@H](C)C1=O ZINC000902153892 584531527 /nfs/dbraw/zinc/53/15/27/584531527.db2.gz DILRSHPJCPBTEX-MRVPVSSYSA-N 1 2 249.270 0.778 20 0 BCADLO COCC1=CC[N@H+](CN2CCOC2=O)CC1 ZINC000902225888 584541482 /nfs/dbraw/zinc/54/14/82/584541482.db2.gz HHGAFUDECREMSY-UHFFFAOYSA-N 1 2 226.276 0.675 20 0 BCADLO COCC1=CC[N@@H+](CN2CCOC2=O)CC1 ZINC000902225888 584541484 /nfs/dbraw/zinc/54/14/84/584541484.db2.gz HHGAFUDECREMSY-UHFFFAOYSA-N 1 2 226.276 0.675 20 0 BCADLO CCn1cnc(C[NH2+][C@H](C)CS(C)(=O)=O)c1 ZINC000902238384 584543035 /nfs/dbraw/zinc/54/30/35/584543035.db2.gz NBKPDONOYMGCIR-SECBINFHSA-N 1 2 245.348 0.426 20 0 BCADLO C[C@H]1C[N@H+](CN2CCOC2=O)C[C@H](C2CC2)O1 ZINC000902243099 584545659 /nfs/dbraw/zinc/54/56/59/584545659.db2.gz LRNLHAIGIIDFAU-GXSJLCMTSA-N 1 2 240.303 0.895 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCOC2=O)C[C@H](C2CC2)O1 ZINC000902243099 584545660 /nfs/dbraw/zinc/54/56/60/584545660.db2.gz LRNLHAIGIIDFAU-GXSJLCMTSA-N 1 2 240.303 0.895 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1C[C@]12CCOC2 ZINC000902280982 584547245 /nfs/dbraw/zinc/54/72/45/584547245.db2.gz IMQOPGNYZDGBCP-YWVKMMECSA-N 1 2 228.292 0.946 20 0 BCADLO Cn1c[nH+]c2c1CCN(C(=O)OCCF)C2 ZINC000859056269 588995059 /nfs/dbraw/zinc/99/50/59/588995059.db2.gz VTJUWDIIYQNXNS-UHFFFAOYSA-N 1 2 227.239 0.884 20 0 BCADLO NC(=[NH+]OCC[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000902381766 584576620 /nfs/dbraw/zinc/57/66/20/584576620.db2.gz OJYYFRMVRZIJHA-IUCAKERBSA-N 1 2 241.291 0.190 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccnc(F)c1 ZINC000859067143 588996495 /nfs/dbraw/zinc/99/64/95/588996495.db2.gz LGEMPVWZOJPRJN-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccnc(F)c1 ZINC000859067143 588996496 /nfs/dbraw/zinc/99/64/96/588996496.db2.gz LGEMPVWZOJPRJN-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859089782 588999757 /nfs/dbraw/zinc/99/97/57/588999757.db2.gz KUKCMONWVNMQQB-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859089782 588999758 /nfs/dbraw/zinc/99/97/58/588999758.db2.gz KUKCMONWVNMQQB-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1cn(CC)cn1 ZINC000902489746 584628473 /nfs/dbraw/zinc/62/84/73/584628473.db2.gz KRLXRAWFSWNNAV-UHFFFAOYSA-N 1 2 224.308 0.471 20 0 BCADLO COc1cc[nH+]cc1CONC(=O)N(C)C ZINC000902602377 584641661 /nfs/dbraw/zinc/64/16/61/584641661.db2.gz OKUNUWGDUVWDSC-UHFFFAOYSA-N 1 2 225.248 0.793 20 0 BCADLO C[C@@H]1OC(=O)N(CCCc2c[nH+]cn2C)C1=O ZINC000902612103 584643569 /nfs/dbraw/zinc/64/35/69/584643569.db2.gz JITNNDURNJSPCH-QMMMGPOBSA-N 1 2 237.259 0.720 20 0 BCADLO Cn1c[nH+]cc1CCCN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC000902621200 584644456 /nfs/dbraw/zinc/64/44/56/584644456.db2.gz ZQGNLUORCURNQN-PHIMTYICSA-N 1 2 247.298 0.748 20 0 BCADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@H]2CO)[C@H]1C1CC1 ZINC000902631840 584646986 /nfs/dbraw/zinc/64/69/86/584646986.db2.gz JTIKNICEKPMJSI-MNOVXSKESA-N 1 2 238.331 0.658 20 0 BCADLO CC1(C)C(=O)N(C[N@H+]2CC[C@@H]2CO)[C@H]1C1CC1 ZINC000902631840 584646987 /nfs/dbraw/zinc/64/69/87/584646987.db2.gz JTIKNICEKPMJSI-MNOVXSKESA-N 1 2 238.331 0.658 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000902633975 584647651 /nfs/dbraw/zinc/64/76/51/584647651.db2.gz ZFNBBLQNACDIAS-JTQLQIEISA-N 1 2 245.286 0.364 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000902633975 584647652 /nfs/dbraw/zinc/64/76/52/584647652.db2.gz ZFNBBLQNACDIAS-JTQLQIEISA-N 1 2 245.286 0.364 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cn1cc(-c2ccncn2)cn1 ZINC000902633151 584647682 /nfs/dbraw/zinc/64/76/82/584647682.db2.gz SCNMKCBMYNKMKG-NSHDSACASA-N 1 2 245.286 0.364 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cn1cc(-c2ccncn2)cn1 ZINC000902633151 584647683 /nfs/dbraw/zinc/64/76/83/584647683.db2.gz SCNMKCBMYNKMKG-NSHDSACASA-N 1 2 245.286 0.364 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CC[C@H]1CO ZINC000902633965 584647958 /nfs/dbraw/zinc/64/79/58/584647958.db2.gz YWTAJXUFMXXAQN-YUMQZZPRSA-N 1 2 234.246 0.124 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CC[C@H]1CO ZINC000902633965 584647959 /nfs/dbraw/zinc/64/79/59/584647959.db2.gz YWTAJXUFMXXAQN-YUMQZZPRSA-N 1 2 234.246 0.124 20 0 BCADLO Cc1cnc(=S)n(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000902633942 584647972 /nfs/dbraw/zinc/64/79/72/584647972.db2.gz YIIHSIXQYBOXAE-SECBINFHSA-N 1 2 225.317 0.945 20 0 BCADLO Cc1cnc(=S)n(C[N@H+]2CC[C@@H]2CO)c1 ZINC000902633942 584647973 /nfs/dbraw/zinc/64/79/73/584647973.db2.gz YIIHSIXQYBOXAE-SECBINFHSA-N 1 2 225.317 0.945 20 0 BCADLO CC(C)[C@H]1CCN(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902634707 584648365 /nfs/dbraw/zinc/64/83/65/584648365.db2.gz PPJDUGSHLLXNIH-WDEREUQCSA-N 1 2 226.320 0.515 20 0 BCADLO CC(C)[C@H]1CCN(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902634707 584648367 /nfs/dbraw/zinc/64/83/67/584648367.db2.gz PPJDUGSHLLXNIH-WDEREUQCSA-N 1 2 226.320 0.515 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1ccsc1=O ZINC000902639251 584649021 /nfs/dbraw/zinc/64/90/21/584649021.db2.gz SELSDNNGUYXSJO-RKDXNWHRSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1ccsc1=O ZINC000902639251 584649022 /nfs/dbraw/zinc/64/90/22/584649022.db2.gz SELSDNNGUYXSJO-RKDXNWHRSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1ccsc1=O ZINC000902639249 584649314 /nfs/dbraw/zinc/64/93/14/584649314.db2.gz SELSDNNGUYXSJO-IUCAKERBSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1ccsc1=O ZINC000902639249 584649315 /nfs/dbraw/zinc/64/93/15/584649315.db2.gz SELSDNNGUYXSJO-IUCAKERBSA-N 1 2 228.317 0.977 20 0 BCADLO CCc1noc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000902670872 584654413 /nfs/dbraw/zinc/65/44/13/584654413.db2.gz MKXDJMJJPSXPNV-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO CCn1cc(CO[NH+]=C(N)COC(C)C)nn1 ZINC000902701027 584658218 /nfs/dbraw/zinc/65/82/18/584658218.db2.gz DTWQGODEPVQUGB-UHFFFAOYSA-N 1 2 241.295 0.721 20 0 BCADLO Cc1nnc(CCO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000902739676 584663354 /nfs/dbraw/zinc/66/33/54/584663354.db2.gz XWRLBGCCHKWDRT-QMMMGPOBSA-N 1 2 240.263 0.598 20 0 BCADLO NC(CO)=[NH+]OCCc1cccc(F)c1 ZINC000902763587 584663959 /nfs/dbraw/zinc/66/39/59/584663959.db2.gz IULMHDKKBHTPSX-UHFFFAOYSA-N 1 2 212.224 0.859 20 0 BCADLO O=C(CCO)NCc1cn2ccccc2[nH+]1 ZINC000902783555 584670949 /nfs/dbraw/zinc/67/09/49/584670949.db2.gz UHZIOUGRKGIQTH-UHFFFAOYSA-N 1 2 219.244 0.333 20 0 BCADLO O=C(CCO)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000902841597 584680496 /nfs/dbraw/zinc/68/04/96/584680496.db2.gz AVELVSMBVZUBHJ-VIFPVBQESA-N 1 2 223.276 0.498 20 0 BCADLO C[C@@H]1CCS(=O)(=O)N1Cc1ccc[nH+]c1N ZINC000902851379 584682885 /nfs/dbraw/zinc/68/28/85/584682885.db2.gz RTONZTAFNWHVKR-MRVPVSSYSA-N 1 2 241.316 0.588 20 0 BCADLO c1ncc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000902906058 584694402 /nfs/dbraw/zinc/69/44/02/584694402.db2.gz VTTPDPTVORBUPG-PHIMTYICSA-N 1 2 235.287 0.719 20 0 BCADLO c1ncc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000902906058 584694403 /nfs/dbraw/zinc/69/44/03/584694403.db2.gz VTTPDPTVORBUPG-PHIMTYICSA-N 1 2 235.287 0.719 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H](O)CC1(O)CCC1 ZINC000859118247 589004523 /nfs/dbraw/zinc/00/45/23/589004523.db2.gz JHZCNXFUULLBCM-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H](O)CC1(O)CCC1 ZINC000859118247 589004524 /nfs/dbraw/zinc/00/45/24/589004524.db2.gz JHZCNXFUULLBCM-SNVBAGLBSA-N 1 2 245.319 0.147 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)CC1(O)CCC1 ZINC000859118246 589004805 /nfs/dbraw/zinc/00/48/05/589004805.db2.gz JHZCNXFUULLBCM-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)CC1(O)CCC1 ZINC000859118246 589004806 /nfs/dbraw/zinc/00/48/06/589004806.db2.gz JHZCNXFUULLBCM-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)c1ccc[nH]1 ZINC000902932915 584699441 /nfs/dbraw/zinc/69/94/41/584699441.db2.gz GNBXCXBKLKJOEQ-QMMMGPOBSA-N 1 2 221.260 0.018 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)c1ccc[nH]1 ZINC000902932915 584699442 /nfs/dbraw/zinc/69/94/42/584699442.db2.gz GNBXCXBKLKJOEQ-QMMMGPOBSA-N 1 2 221.260 0.018 20 0 BCADLO Cc1cc[nH+]cc1N1CCN(C(=O)CCO)CC1 ZINC000902931716 584699476 /nfs/dbraw/zinc/69/94/76/584699476.db2.gz WDCRWGCKLRVMBJ-UHFFFAOYSA-N 1 2 249.314 0.421 20 0 BCADLO Cc1cc(CNC(=O)CCO)cc(C)[nH+]1 ZINC000902947763 584703499 /nfs/dbraw/zinc/70/34/99/584703499.db2.gz PKSSMRYVXYIUGS-UHFFFAOYSA-N 1 2 208.261 0.697 20 0 BCADLO O=C(CCO)NCc1ccc[nH+]c1N1CCCC1 ZINC000902952973 584704619 /nfs/dbraw/zinc/70/46/19/584704619.db2.gz KOPRKFWJXHITSQ-UHFFFAOYSA-N 1 2 249.314 0.680 20 0 BCADLO O=S1(=O)CCC[C@H]1C[N@H+]1CCC[C@H](F)C1 ZINC000902992398 584710939 /nfs/dbraw/zinc/71/09/39/584710939.db2.gz KSZJSRIAOVFNFQ-UWVGGRQHSA-N 1 2 235.324 0.998 20 0 BCADLO O=S1(=O)CCC[C@H]1C[N@@H+]1CCC[C@H](F)C1 ZINC000902992398 584710940 /nfs/dbraw/zinc/71/09/40/584710940.db2.gz KSZJSRIAOVFNFQ-UWVGGRQHSA-N 1 2 235.324 0.998 20 0 BCADLO CC(=O)NCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000902974537 584712759 /nfs/dbraw/zinc/71/27/59/584712759.db2.gz LYBBLDFKRYGTDJ-MRVPVSSYSA-N 1 2 238.278 0.461 20 0 BCADLO CC(=O)NCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000902974537 584712760 /nfs/dbraw/zinc/71/27/60/584712760.db2.gz LYBBLDFKRYGTDJ-MRVPVSSYSA-N 1 2 238.278 0.461 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000902997594 584714477 /nfs/dbraw/zinc/71/44/77/584714477.db2.gz WJQYQEDGERVVRB-IUCAKERBSA-N 1 2 246.282 0.098 20 0 BCADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000902997594 584714479 /nfs/dbraw/zinc/71/44/79/584714479.db2.gz WJQYQEDGERVVRB-IUCAKERBSA-N 1 2 246.282 0.098 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902998140 584714727 /nfs/dbraw/zinc/71/47/27/584714727.db2.gz HGIBVAOUFOQREX-DTWKUNHWSA-N 1 2 200.257 0.651 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902998140 584714729 /nfs/dbraw/zinc/71/47/29/584714729.db2.gz HGIBVAOUFOQREX-DTWKUNHWSA-N 1 2 200.257 0.651 20 0 BCADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC000902999752 584715075 /nfs/dbraw/zinc/71/50/75/584715075.db2.gz YFPHYDQBEXLFNQ-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC000902999752 584715077 /nfs/dbraw/zinc/71/50/77/584715077.db2.gz YFPHYDQBEXLFNQ-VIFPVBQESA-N 1 2 238.328 0.360 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001592 584715734 /nfs/dbraw/zinc/71/57/34/584715734.db2.gz POZXJPJDZWAELZ-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001592 584715735 /nfs/dbraw/zinc/71/57/35/584715735.db2.gz POZXJPJDZWAELZ-MNOVXSKESA-N 1 2 246.326 0.962 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NC[C@@H]1CCCO1 ZINC000903002659 584715905 /nfs/dbraw/zinc/71/59/05/584715905.db2.gz DTJLQTIDGOWVOK-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NC[C@@H]1CCCO1 ZINC000903002659 584715907 /nfs/dbraw/zinc/71/59/07/584715907.db2.gz DTJLQTIDGOWVOK-MNOVXSKESA-N 1 2 244.310 0.716 20 0 BCADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003857 584716728 /nfs/dbraw/zinc/71/67/28/584716728.db2.gz SVRNOJPXBXRWSO-SECBINFHSA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003857 584716729 /nfs/dbraw/zinc/71/67/29/584716729.db2.gz SVRNOJPXBXRWSO-SECBINFHSA-N 1 2 246.282 0.100 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NC(=O)NC1CC1 ZINC000903003566 584716952 /nfs/dbraw/zinc/71/69/52/584716952.db2.gz OOFATGSIKVHPGU-MRVPVSSYSA-N 1 2 243.282 0.409 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NC(=O)NC1CC1 ZINC000903003566 584716953 /nfs/dbraw/zinc/71/69/53/584716953.db2.gz OOFATGSIKVHPGU-MRVPVSSYSA-N 1 2 243.282 0.409 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903003561 584717004 /nfs/dbraw/zinc/71/70/04/584717004.db2.gz ONRBCVBMKXRJLV-JGVFFNPUSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903003561 584717006 /nfs/dbraw/zinc/71/70/06/584717006.db2.gz ONRBCVBMKXRJLV-JGVFFNPUSA-N 1 2 231.271 0.264 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@H]2OC)n1 ZINC000903198994 584734859 /nfs/dbraw/zinc/73/48/59/584734859.db2.gz IMOYUIRUUMGPAW-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CCC[C@H]2OC)[nH]1 ZINC000903198994 584734860 /nfs/dbraw/zinc/73/48/60/584734860.db2.gz IMOYUIRUUMGPAW-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO CCCCNC(=O)CCN1CC=CC[NH2+]1 ZINC000903489717 584780428 /nfs/dbraw/zinc/78/04/28/584780428.db2.gz YSMOOAKRNLXEAV-UHFFFAOYSA-N 1 2 211.309 0.669 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)[C@@H](C(N)=O)C1 ZINC000904340163 584866659 /nfs/dbraw/zinc/86/66/59/584866659.db2.gz FIXVNKSMHSXXFX-PSASIEDQSA-N 1 2 249.318 0.145 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)[C@@H](C(N)=O)C1 ZINC000904340163 584866661 /nfs/dbraw/zinc/86/66/61/584866661.db2.gz FIXVNKSMHSXXFX-PSASIEDQSA-N 1 2 249.318 0.145 20 0 BCADLO Cn1ncc(Cl)c1C[NH2+][C@@H]1CNOC1 ZINC000904424632 584881034 /nfs/dbraw/zinc/88/10/34/584881034.db2.gz WWFJMBJNDPSAKR-ZCFIWIBFSA-N 1 2 216.672 0.067 20 0 BCADLO COC(=O)c1cc(C[NH2+][C@@H]2CNOC2)oc1C ZINC000904425115 584881230 /nfs/dbraw/zinc/88/12/30/584881230.db2.gz YQGWQYQZZULOCD-MRVPVSSYSA-N 1 2 240.259 0.368 20 0 BCADLO C[C@@H]1N(C(=O)Cc2[nH]cc[nH+]2)CCOC1(C)C ZINC000830332143 584908156 /nfs/dbraw/zinc/90/81/56/584908156.db2.gz QJHIHEIGODUDJF-VIFPVBQESA-N 1 2 237.303 0.978 20 0 BCADLO COC1(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000830832371 584908672 /nfs/dbraw/zinc/90/86/72/584908672.db2.gz IUVFTQDHOBJSOV-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO COC1(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000830832371 584908673 /nfs/dbraw/zinc/90/86/73/584908673.db2.gz IUVFTQDHOBJSOV-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000831367096 584909578 /nfs/dbraw/zinc/90/95/78/584909578.db2.gz HAYQLUNWZKDGSY-IUCAKERBSA-N 1 2 223.276 0.182 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000831958487 584911039 /nfs/dbraw/zinc/91/10/39/584911039.db2.gz IEUOEPUPLNFZCS-SNVBAGLBSA-N 1 2 238.291 0.615 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)NC2CCC2)CCO1 ZINC000730672052 584913646 /nfs/dbraw/zinc/91/36/46/584913646.db2.gz ROXVIKBQNXNDGF-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC2)CCO1 ZINC000730672052 584913647 /nfs/dbraw/zinc/91/36/47/584913647.db2.gz ROXVIKBQNXNDGF-SNVBAGLBSA-N 1 2 241.335 0.559 20 0 BCADLO CNC(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000731029320 584921047 /nfs/dbraw/zinc/92/10/47/584921047.db2.gz RULQVIUZAKRLKR-UHFFFAOYSA-N 1 2 227.289 0.535 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)c1cc[nH]n1 ZINC000763293423 584921253 /nfs/dbraw/zinc/92/12/53/584921253.db2.gz GJNVRCMNBXAPTH-UHFFFAOYSA-N 1 2 220.232 0.853 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C(N)=O)c1ccccc1 ZINC000764204296 584925951 /nfs/dbraw/zinc/92/59/51/584925951.db2.gz PQGIWHMUUZVBBL-LBPRGKRZSA-N 1 2 249.314 0.281 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C(N)=O)c1ccccc1 ZINC000764204296 584925952 /nfs/dbraw/zinc/92/59/52/584925952.db2.gz PQGIWHMUUZVBBL-LBPRGKRZSA-N 1 2 249.314 0.281 20 0 BCADLO CO[C@@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732092782 584933813 /nfs/dbraw/zinc/93/38/13/584933813.db2.gz CKXOUFFJZZXWJZ-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CCN(CC)C(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000732277533 584935557 /nfs/dbraw/zinc/93/55/57/584935557.db2.gz ODPSHCBYBMBEFI-UHFFFAOYSA-N 1 2 238.291 0.316 20 0 BCADLO CC[C@H](O)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000837811823 584938806 /nfs/dbraw/zinc/93/88/06/584938806.db2.gz WEXOSOUPMJXXNE-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@H](O)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000837811823 584938807 /nfs/dbraw/zinc/93/88/07/584938807.db2.gz WEXOSOUPMJXXNE-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cccc(OC)n1 ZINC000733030395 584942501 /nfs/dbraw/zinc/94/25/01/584942501.db2.gz VXQDEIDXSGHRIK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cccc(OC)n1 ZINC000733030395 584942502 /nfs/dbraw/zinc/94/25/02/584942502.db2.gz VXQDEIDXSGHRIK-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO COC(=O)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733968475 584955784 /nfs/dbraw/zinc/95/57/84/584955784.db2.gz VUVAODXIHXYNHI-UHFFFAOYSA-N 1 2 248.242 0.629 20 0 BCADLO O=C(NCCn1cc[nH+]c1)C1=COCC1 ZINC000734122657 584958272 /nfs/dbraw/zinc/95/82/72/584958272.db2.gz CGGXBNIIACDJNE-UHFFFAOYSA-N 1 2 207.233 0.304 20 0 BCADLO COCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000734784096 584968192 /nfs/dbraw/zinc/96/81/92/584968192.db2.gz ZKRBWSTUHRTMJA-UHFFFAOYSA-N 1 2 210.281 0.663 20 0 BCADLO COCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000734784096 584968193 /nfs/dbraw/zinc/96/81/93/584968193.db2.gz ZKRBWSTUHRTMJA-UHFFFAOYSA-N 1 2 210.281 0.663 20 0 BCADLO COCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000734784096 584968194 /nfs/dbraw/zinc/96/81/94/584968194.db2.gz ZKRBWSTUHRTMJA-UHFFFAOYSA-N 1 2 210.281 0.663 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCc1ccncn1 ZINC000755812077 584983951 /nfs/dbraw/zinc/98/39/51/584983951.db2.gz OSIWTMGCPAPXQS-UHFFFAOYSA-N 1 2 246.270 0.886 20 0 BCADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CCOCC1 ZINC000788079032 585010100 /nfs/dbraw/zinc/01/01/00/585010100.db2.gz AOAKNGZSIKWVAT-NSHDSACASA-N 1 2 245.294 1.000 20 0 BCADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1CCOCC1 ZINC000788079032 585010101 /nfs/dbraw/zinc/01/01/01/585010101.db2.gz AOAKNGZSIKWVAT-NSHDSACASA-N 1 2 245.294 1.000 20 0 BCADLO CCc1cc(C(=O)NCc2cn(C)c[nH+]2)n(C)n1 ZINC000890100142 585022946 /nfs/dbraw/zinc/02/29/46/585022946.db2.gz PCZKDBZTXDZKIK-UHFFFAOYSA-N 1 2 247.302 0.646 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@]23C[C@@H]2COC3(C)C)c1 ZINC000890102868 585023233 /nfs/dbraw/zinc/02/32/33/585023233.db2.gz BVYHFZNBZNNWIB-NOZJJQNGSA-N 1 2 249.314 0.851 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@]23C[C@H]2COC3(C)C)c1 ZINC000890102871 585023264 /nfs/dbraw/zinc/02/32/64/585023264.db2.gz BVYHFZNBZNNWIB-ZANVPECISA-N 1 2 249.314 0.851 20 0 BCADLO COC1(C(=O)NCc2cn(C)c[nH+]2)CCCC1 ZINC000890107940 585023731 /nfs/dbraw/zinc/02/37/31/585023731.db2.gz RNXQBVPISNCNIE-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CCOC2)c1 ZINC000890110393 585023939 /nfs/dbraw/zinc/02/39/39/585023939.db2.gz ZRYRPJRXKZCDOG-NSHDSACASA-N 1 2 223.276 0.463 20 0 BCADLO CC[C@](C)(CO)C(=O)OCC[NH+]1CCOCC1 ZINC000838207505 585047998 /nfs/dbraw/zinc/04/79/98/585047998.db2.gz OQVZWHXLZAWVGM-GFCCVEGCSA-N 1 2 245.319 0.270 20 0 BCADLO O=C(CC1(O)CCC1)OCC[NH+]1CCOCC1 ZINC000838211029 585048575 /nfs/dbraw/zinc/04/85/75/585048575.db2.gz BCQHLPJUTFILGD-UHFFFAOYSA-N 1 2 243.303 0.167 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)C1CC1 ZINC000838898852 585079466 /nfs/dbraw/zinc/07/94/66/585079466.db2.gz XZSAVAYFSWENEV-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)C1CC1 ZINC000838898852 585079467 /nfs/dbraw/zinc/07/94/67/585079467.db2.gz XZSAVAYFSWENEV-QWRGUYRKSA-N 1 2 245.319 0.267 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838928588 585080970 /nfs/dbraw/zinc/08/09/70/585080970.db2.gz PKYCZSJYWCJZOA-GDPRMGEGSA-N 1 2 229.320 0.935 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C1CC1)C(C)C ZINC000838929622 585081324 /nfs/dbraw/zinc/08/13/24/585081324.db2.gz ZSOLGZYJIDEURU-NXEZZACHSA-N 1 2 215.293 0.545 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1cn[nH]c1 ZINC000838960543 585082277 /nfs/dbraw/zinc/08/22/77/585082277.db2.gz OKONYNYQULTYPB-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1cn[nH]c1 ZINC000838960543 585082278 /nfs/dbraw/zinc/08/22/78/585082278.db2.gz OKONYNYQULTYPB-VIFPVBQESA-N 1 2 222.292 0.115 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)C1CC1 ZINC000838977886 585084142 /nfs/dbraw/zinc/08/41/42/585084142.db2.gz RXAYUCZJQFHCEO-LPEHRKFASA-N 1 2 231.267 0.343 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)C1CC1 ZINC000838977886 585084143 /nfs/dbraw/zinc/08/41/43/585084143.db2.gz RXAYUCZJQFHCEO-LPEHRKFASA-N 1 2 231.267 0.343 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839148679 585092344 /nfs/dbraw/zinc/09/23/44/585092344.db2.gz LSDWRDXJCPBQPM-PWSUYJOCSA-N 1 2 245.319 0.147 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839148679 585092345 /nfs/dbraw/zinc/09/23/45/585092345.db2.gz LSDWRDXJCPBQPM-PWSUYJOCSA-N 1 2 245.319 0.147 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000839169335 585096087 /nfs/dbraw/zinc/09/60/87/585096087.db2.gz HLEDVFFFYFBCLX-GARJFASQSA-N 1 2 245.319 0.003 20 0 BCADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000839169335 585096088 /nfs/dbraw/zinc/09/60/88/585096088.db2.gz HLEDVFFFYFBCLX-GARJFASQSA-N 1 2 245.319 0.003 20 0 BCADLO CONC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000839189629 585096997 /nfs/dbraw/zinc/09/69/97/585096997.db2.gz AXCCNOXTVMJBAI-IUCAKERBSA-N 1 2 228.292 0.211 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839192296 585097394 /nfs/dbraw/zinc/09/73/94/585097394.db2.gz JTAVTZFOFBAYEN-KOLCDFICSA-N 1 2 223.276 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839192296 585097395 /nfs/dbraw/zinc/09/73/95/585097395.db2.gz JTAVTZFOFBAYEN-KOLCDFICSA-N 1 2 223.276 0.989 20 0 BCADLO CCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741148818 585110675 /nfs/dbraw/zinc/11/06/75/585110675.db2.gz LXLCRCJPHVRYAD-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741148818 585110676 /nfs/dbraw/zinc/11/06/76/585110676.db2.gz LXLCRCJPHVRYAD-SNVBAGLBSA-N 1 2 242.319 0.540 20 0 BCADLO CCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147842 585110776 /nfs/dbraw/zinc/11/07/76/585110776.db2.gz WMDUKVYLPYPCDD-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO CCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147842 585110777 /nfs/dbraw/zinc/11/07/77/585110777.db2.gz WMDUKVYLPYPCDD-SECBINFHSA-N 1 2 228.292 0.150 20 0 BCADLO COC(=O)NCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000742180495 585122541 /nfs/dbraw/zinc/12/25/41/585122541.db2.gz YCGNYJGYCYVOCP-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO COC(=O)NCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000742180495 585122542 /nfs/dbraw/zinc/12/25/42/585122542.db2.gz YCGNYJGYCYVOCP-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])CC[N@@H+]1C ZINC000742195070 585122978 /nfs/dbraw/zinc/12/29/78/585122978.db2.gz FJWYOFHNVWSFME-SNVBAGLBSA-N 1 2 235.287 0.096 20 0 BCADLO C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])CC[N@H+]1C ZINC000742195070 585122979 /nfs/dbraw/zinc/12/29/79/585122979.db2.gz FJWYOFHNVWSFME-SNVBAGLBSA-N 1 2 235.287 0.096 20 0 BCADLO Cc1nonc1CNc1[nH+]cnc2c1cnn2C ZINC000742419448 585126101 /nfs/dbraw/zinc/12/61/01/585126101.db2.gz BUBBWUMUEBPQPR-UHFFFAOYSA-N 1 2 245.246 0.667 20 0 BCADLO Cn1cc(C[N@H+](C)CN2C(=O)CC23CCC3)cn1 ZINC000743354386 585135542 /nfs/dbraw/zinc/13/55/42/585135542.db2.gz OHXNKOGSFDFWPW-UHFFFAOYSA-N 1 2 248.330 0.964 20 0 BCADLO Cn1cc(C[N@@H+](C)CN2C(=O)CC23CCC3)cn1 ZINC000743354386 585135543 /nfs/dbraw/zinc/13/55/43/585135543.db2.gz OHXNKOGSFDFWPW-UHFFFAOYSA-N 1 2 248.330 0.964 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745087229 585156112 /nfs/dbraw/zinc/15/61/12/585156112.db2.gz XRUJHLNJDLMZGA-IUCAKERBSA-N 1 2 228.292 0.278 20 0 BCADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC000745087229 585156113 /nfs/dbraw/zinc/15/61/13/585156113.db2.gz XRUJHLNJDLMZGA-IUCAKERBSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(N)=O ZINC000745082781 585156206 /nfs/dbraw/zinc/15/62/06/585156206.db2.gz IKPINMFZFLDVQX-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(N)=O ZINC000745082781 585156207 /nfs/dbraw/zinc/15/62/07/585156207.db2.gz IKPINMFZFLDVQX-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO CN1CC[C@H](OC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000745082905 585156252 /nfs/dbraw/zinc/15/62/52/585156252.db2.gz RTZMPSASZWDYNR-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CC[C@H](OC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC000745082905 585156253 /nfs/dbraw/zinc/15/62/53/585156253.db2.gz RTZMPSASZWDYNR-UWVGGRQHSA-N 1 2 240.303 0.245 20 0 BCADLO COC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081312 585156325 /nfs/dbraw/zinc/15/63/25/585156325.db2.gz GMKJYTSRGUMTAH-IUCAKERBSA-N 1 2 229.276 0.575 20 0 BCADLO COC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081312 585156326 /nfs/dbraw/zinc/15/63/26/585156326.db2.gz GMKJYTSRGUMTAH-IUCAKERBSA-N 1 2 229.276 0.575 20 0 BCADLO Cn1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000745080561 585156396 /nfs/dbraw/zinc/15/63/96/585156396.db2.gz TYWNAMQBKSTVKP-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO Cn1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000745080561 585156397 /nfs/dbraw/zinc/15/63/97/585156397.db2.gz TYWNAMQBKSTVKP-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745087228 585156481 /nfs/dbraw/zinc/15/64/81/585156481.db2.gz XRUJHLNJDLMZGA-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC000745087228 585156482 /nfs/dbraw/zinc/15/64/82/585156482.db2.gz XRUJHLNJDLMZGA-DTWKUNHWSA-N 1 2 228.292 0.278 20 0 BCADLO C[N@H+](Cc1ccnc(F)c1)[C@H]1CCNC1=O ZINC000859209465 589019518 /nfs/dbraw/zinc/01/95/18/589019518.db2.gz FHXLWLNZYDVZHM-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO C[N@@H+](Cc1ccnc(F)c1)[C@H]1CCNC1=O ZINC000859209465 589019519 /nfs/dbraw/zinc/01/95/19/589019519.db2.gz FHXLWLNZYDVZHM-VIFPVBQESA-N 1 2 223.251 0.541 20 0 BCADLO NC(=O)c1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000746469963 585168384 /nfs/dbraw/zinc/16/83/84/585168384.db2.gz XUSIPOAMJNHLMD-UHFFFAOYSA-N 1 2 242.242 0.073 20 0 BCADLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789605086 585172671 /nfs/dbraw/zinc/17/26/71/585172671.db2.gz DTQGKSUYIAMMBQ-RKDXNWHRSA-N 1 2 243.307 0.579 20 0 BCADLO NC(=[NH+]OCC(=O)NCC1CC1)[C@@H]1CCCO1 ZINC000789608900 585172912 /nfs/dbraw/zinc/17/29/12/585172912.db2.gz GJAUREKAVUVOJX-VIFPVBQESA-N 1 2 241.291 0.190 20 0 BCADLO NC(=[NH+]OCC(=O)NCC1CC1)[C@H]1CCCO1 ZINC000789608899 585172958 /nfs/dbraw/zinc/17/29/58/585172958.db2.gz GJAUREKAVUVOJX-SECBINFHSA-N 1 2 241.291 0.190 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC1 ZINC000746982961 585174071 /nfs/dbraw/zinc/17/40/71/585174071.db2.gz FGIRHWAUZBEWDX-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC1 ZINC000746982961 585174072 /nfs/dbraw/zinc/17/40/72/585174072.db2.gz FGIRHWAUZBEWDX-JTQLQIEISA-N 1 2 240.303 0.246 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)c2ccccn2)c[nH+]1 ZINC000747635411 585181601 /nfs/dbraw/zinc/18/16/01/585181601.db2.gz NPVRAPXVQHLANS-NSHDSACASA-N 1 2 246.270 0.577 20 0 BCADLO Cc1c[nH]cc1C(=O)OCC[NH+]1CCOCC1 ZINC000747691351 585182361 /nfs/dbraw/zinc/18/23/61/585182361.db2.gz FVOPUWXAYNYUER-UHFFFAOYSA-N 1 2 238.287 0.812 20 0 BCADLO CSC[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747701508 585182431 /nfs/dbraw/zinc/18/24/31/585182431.db2.gz OIYCDVLMHUZYKC-SNVBAGLBSA-N 1 2 247.360 0.861 20 0 BCADLO CO[C@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000747700625 585182490 /nfs/dbraw/zinc/18/24/90/585182490.db2.gz UXCYUDZUSVVDGR-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCC[C@@H]1O ZINC000747710103 585182838 /nfs/dbraw/zinc/18/28/38/585182838.db2.gz LBUYHUFLTMBZPC-MNOVXSKESA-N 1 2 243.303 0.023 20 0 BCADLO CCOC(=O)NCCC(=O)NCc1c[nH+]c[nH]1 ZINC000748322929 585190656 /nfs/dbraw/zinc/19/06/56/585190656.db2.gz SCLRYKZEXAPPBS-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO CCOC(=O)NCCC(=O)NCc1c[nH]c[nH+]1 ZINC000748322929 585190657 /nfs/dbraw/zinc/19/06/57/585190657.db2.gz SCLRYKZEXAPPBS-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO C[C@@H]1CN(C(=O)c2cocn2)CC[N@@H+]1C ZINC000748348784 585191062 /nfs/dbraw/zinc/19/10/62/585191062.db2.gz HVOGZEXFVZCOLS-MRVPVSSYSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1CN(C(=O)c2cocn2)CC[N@H+]1C ZINC000748348784 585191063 /nfs/dbraw/zinc/19/10/63/585191063.db2.gz HVOGZEXFVZCOLS-MRVPVSSYSA-N 1 2 209.249 0.451 20 0 BCADLO Cc1nonc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748355279 585191486 /nfs/dbraw/zinc/19/14/86/585191486.db2.gz RBHJTTBFCAGYLB-ZETCQYMHSA-N 1 2 224.264 0.154 20 0 BCADLO Cc1nonc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748355279 585191487 /nfs/dbraw/zinc/19/14/87/585191487.db2.gz RBHJTTBFCAGYLB-ZETCQYMHSA-N 1 2 224.264 0.154 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(C)=O)C1 ZINC000748461736 585193153 /nfs/dbraw/zinc/19/31/53/585193153.db2.gz VRZBONROBYMFMK-VHSXEESVSA-N 1 2 229.276 0.228 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(C)=O)C1 ZINC000748461736 585193154 /nfs/dbraw/zinc/19/31/54/585193154.db2.gz VRZBONROBYMFMK-VHSXEESVSA-N 1 2 229.276 0.228 20 0 BCADLO CC1(C)CC(=O)N(C[NH+]2CCSCC2)C1=O ZINC000748784260 585195913 /nfs/dbraw/zinc/19/59/13/585195913.db2.gz APGZOTMVHUAJPU-UHFFFAOYSA-N 1 2 242.344 0.778 20 0 BCADLO CCONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000749568899 585204064 /nfs/dbraw/zinc/20/40/64/585204064.db2.gz XWGLLPFJSRCJHL-MRVPVSSYSA-N 1 2 209.249 0.513 20 0 BCADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000749790442 585206282 /nfs/dbraw/zinc/20/62/82/585206282.db2.gz HPHDPYFQTJDPOJ-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000749790442 585206283 /nfs/dbraw/zinc/20/62/83/585206283.db2.gz HPHDPYFQTJDPOJ-JTQLQIEISA-N 1 2 235.349 0.530 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C=O)[nH]1 ZINC000749984806 585209040 /nfs/dbraw/zinc/20/90/40/585209040.db2.gz AWFWEURNEHVVFS-UHFFFAOYSA-N 1 2 232.243 0.823 20 0 BCADLO Cn1cnnc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000750524132 585216394 /nfs/dbraw/zinc/21/63/94/585216394.db2.gz GYNOPYPAUZJJAM-UHFFFAOYSA-N 1 2 246.318 0.918 20 0 BCADLO CC(C)=CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750745518 585219232 /nfs/dbraw/zinc/21/92/32/585219232.db2.gz AXZAIARTMXVILF-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750745518 585219233 /nfs/dbraw/zinc/21/92/33/585219233.db2.gz AXZAIARTMXVILF-NSHDSACASA-N 1 2 226.320 0.790 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000751070207 585223956 /nfs/dbraw/zinc/22/39/56/585223956.db2.gz XIVAGOKJEADDQW-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO Cc1ncoc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000751070207 585223957 /nfs/dbraw/zinc/22/39/57/585223957.db2.gz XIVAGOKJEADDQW-QMMMGPOBSA-N 1 2 223.276 0.759 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751367486 585227843 /nfs/dbraw/zinc/22/78/43/585227843.db2.gz NNWPXJQQYKZGDW-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C(/C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751367486 585227844 /nfs/dbraw/zinc/22/78/44/585227844.db2.gz NNWPXJQQYKZGDW-NEOSZVFXSA-N 1 2 226.320 0.790 20 0 BCADLO C[C@@](O)(CNC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000751406759 585230034 /nfs/dbraw/zinc/23/00/34/585230034.db2.gz GNDKJTAEXGKILI-GFCCVEGCSA-N 1 2 249.270 0.500 20 0 BCADLO CS/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000751463477 585230971 /nfs/dbraw/zinc/23/09/71/585230971.db2.gz JLKSOKBRCJPIRV-KMKOMSMNSA-N 1 2 244.360 0.654 20 0 BCADLO CS/C=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000751581941 585233499 /nfs/dbraw/zinc/23/34/99/585233499.db2.gz NDCIVRSTGKETKV-VAWSOJLPSA-N 1 2 243.376 0.225 20 0 BCADLO CS/C=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000751581941 585233500 /nfs/dbraw/zinc/23/35/00/585233500.db2.gz NDCIVRSTGKETKV-VAWSOJLPSA-N 1 2 243.376 0.225 20 0 BCADLO COC(=O)[C@@]1(F)CCN(c2cc(C)[nH+]cn2)C1 ZINC000751962431 585239833 /nfs/dbraw/zinc/23/98/33/585239833.db2.gz TXTUTIJUXPJNNQ-LLVKDONJSA-N 1 2 239.250 0.876 20 0 BCADLO O=Cc1cc(C(=O)NCC[NH+]2CCC2)cs1 ZINC000752295467 585244579 /nfs/dbraw/zinc/24/45/79/585244579.db2.gz UXFSGAPLPIDNGE-UHFFFAOYSA-N 1 2 238.312 0.996 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@@H](O)C(C)(C)C ZINC000752953921 585251733 /nfs/dbraw/zinc/25/17/33/585251733.db2.gz QERNHGNFUSNFGT-SECBINFHSA-N 1 2 225.292 0.443 20 0 BCADLO CCON(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000753361286 585257564 /nfs/dbraw/zinc/25/75/64/585257564.db2.gz QOBOAXCMFRNLRW-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000753452622 585259089 /nfs/dbraw/zinc/25/90/89/585259089.db2.gz OKNKRUAOLQHRPU-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000753452622 585259090 /nfs/dbraw/zinc/25/90/90/585259090.db2.gz OKNKRUAOLQHRPU-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CON(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000753451536 585259154 /nfs/dbraw/zinc/25/91/54/585259154.db2.gz IUXGWXRFVJZUIW-UHFFFAOYSA-N 1 2 245.323 0.300 20 0 BCADLO CON(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000753451536 585259155 /nfs/dbraw/zinc/25/91/55/585259155.db2.gz IUXGWXRFVJZUIW-UHFFFAOYSA-N 1 2 245.323 0.300 20 0 BCADLO CCC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000753767834 585268608 /nfs/dbraw/zinc/26/86/08/585268608.db2.gz FNIXVBRBEMRVIT-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CCC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000753767834 585268609 /nfs/dbraw/zinc/26/86/09/585268609.db2.gz FNIXVBRBEMRVIT-VIFPVBQESA-N 1 2 212.293 0.518 20 0 BCADLO CC[N@H+](CC[C@@H]1CCOC1=O)CC(=O)OC ZINC000753845857 585271063 /nfs/dbraw/zinc/27/10/63/585271063.db2.gz VNLVXJKRSCFSIV-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CC[N@@H+](CC[C@@H]1CCOC1=O)CC(=O)OC ZINC000753845857 585271064 /nfs/dbraw/zinc/27/10/64/585271064.db2.gz VNLVXJKRSCFSIV-SECBINFHSA-N 1 2 229.276 0.435 20 0 BCADLO CC1(C)C[NH+]=C(N2CCN(C(N)=O)CC2)S1 ZINC000754022686 585275600 /nfs/dbraw/zinc/27/56/00/585275600.db2.gz RXRUYDMWDQVWLZ-UHFFFAOYSA-N 1 2 242.348 0.564 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000754296888 585282293 /nfs/dbraw/zinc/28/22/93/585282293.db2.gz YMPJTUXDIMPMSY-UHFFFAOYSA-N 1 2 209.249 0.641 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000754296888 585282294 /nfs/dbraw/zinc/28/22/94/585282294.db2.gz YMPJTUXDIMPMSY-UHFFFAOYSA-N 1 2 209.249 0.641 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754682804 585289269 /nfs/dbraw/zinc/28/92/69/585289269.db2.gz CJIXKXHOSCOJJP-MRVPVSSYSA-N 1 2 239.275 0.378 20 0 BCADLO CO[C@@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000754687491 585289382 /nfs/dbraw/zinc/28/93/82/585289382.db2.gz NMZYPRVKCZCXRG-QMMMGPOBSA-N 1 2 212.249 0.888 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCOC1 ZINC000754686322 585289425 /nfs/dbraw/zinc/28/94/25/585289425.db2.gz XXRAMVKDGXFDAB-SECBINFHSA-N 1 2 224.260 0.890 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CCn1cccn1 ZINC000754684023 585289433 /nfs/dbraw/zinc/28/94/33/585289433.db2.gz FSOAWPBWFPDTSD-UHFFFAOYSA-N 1 2 234.259 0.750 20 0 BCADLO O=C(/C=C\c1ccncn1)OCCn1cc[nH+]c1 ZINC000754924746 585292220 /nfs/dbraw/zinc/29/22/20/585292220.db2.gz TVVRNLHUANMURF-UPHRSURJSA-N 1 2 244.254 0.930 20 0 BCADLO CCC1(C(=O)NCCCn2cc[nH+]c2)COC1 ZINC000755034674 585293674 /nfs/dbraw/zinc/29/36/74/585293674.db2.gz WIUYKGSBXAMCAO-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO COC[C@H](C)CC(=O)NC1=[NH+]CCS1 ZINC000755061069 585294180 /nfs/dbraw/zinc/29/41/80/585294180.db2.gz CBVHZPVHMQFBQD-SSDOTTSWSA-N 1 2 216.306 0.878 20 0 BCADLO CCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)COC1 ZINC000755175818 585295852 /nfs/dbraw/zinc/29/58/52/585295852.db2.gz PZPMLIXXSFSWGD-JTQLQIEISA-N 1 2 237.303 0.814 20 0 BCADLO Cc1ccc(NC(=O)C2(C(N)=O)CC2)c(C)[nH+]1 ZINC000755621782 585302444 /nfs/dbraw/zinc/30/24/44/585302444.db2.gz WRGIBPDTRPGRFO-UHFFFAOYSA-N 1 2 233.271 0.902 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OCCF)[C@H](C)CO1 ZINC000859219836 589020865 /nfs/dbraw/zinc/02/08/65/589020865.db2.gz JFUPDJNDXGJXKG-NXEZZACHSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OCCF)[C@H](C)CO1 ZINC000859219836 589020868 /nfs/dbraw/zinc/02/08/68/589020868.db2.gz JFUPDJNDXGJXKG-NXEZZACHSA-N 1 2 248.298 0.791 20 0 BCADLO CNC(=O)C1([NH2+]Cc2nccc(C)n2)CCCC1 ZINC000756595605 585321614 /nfs/dbraw/zinc/32/16/14/585321614.db2.gz UUDZYPVQMKZCRP-UHFFFAOYSA-N 1 2 248.330 0.933 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000839671563 585336264 /nfs/dbraw/zinc/33/62/64/585336264.db2.gz MIDWCDGJEHVJJM-ZYHUDNBSSA-N 1 2 229.320 0.683 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000839671563 585336265 /nfs/dbraw/zinc/33/62/65/585336265.db2.gz MIDWCDGJEHVJJM-ZYHUDNBSSA-N 1 2 229.320 0.683 20 0 BCADLO C[C@H](O)[C@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000839675686 585336911 /nfs/dbraw/zinc/33/69/11/585336911.db2.gz QYWOZIUSFFHQAQ-NFLJOPSSSA-N 1 2 205.685 0.821 20 0 BCADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000839675686 585336912 /nfs/dbraw/zinc/33/69/12/585336912.db2.gz QYWOZIUSFFHQAQ-NFLJOPSSSA-N 1 2 205.685 0.821 20 0 BCADLO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccon1 ZINC000758146059 585350838 /nfs/dbraw/zinc/35/08/38/585350838.db2.gz HERIRGCGHNXNFC-LBPRGKRZSA-N 1 2 245.282 0.861 20 0 BCADLO CC(C)[N@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758293754 585353409 /nfs/dbraw/zinc/35/34/09/585353409.db2.gz XSFSACQKCDSWCM-UHFFFAOYSA-N 1 2 210.281 0.412 20 0 BCADLO CC(C)[N@@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758293754 585353410 /nfs/dbraw/zinc/35/34/10/585353410.db2.gz XSFSACQKCDSWCM-UHFFFAOYSA-N 1 2 210.281 0.412 20 0 BCADLO CC[N@H+](Cn1ncn(C)c1=O)C1CCC1 ZINC000758323882 585353663 /nfs/dbraw/zinc/35/36/63/585353663.db2.gz DDXRFTGKMOWBML-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CC[N@@H+](Cn1ncn(C)c1=O)C1CCC1 ZINC000758323882 585353664 /nfs/dbraw/zinc/35/36/64/585353664.db2.gz DDXRFTGKMOWBML-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO C[C@H]1CC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758321283 585353703 /nfs/dbraw/zinc/35/37/03/585353703.db2.gz ZRINFGIUKJSALK-VIFPVBQESA-N 1 2 233.275 0.190 20 0 BCADLO C[C@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758321283 585353704 /nfs/dbraw/zinc/35/37/04/585353704.db2.gz ZRINFGIUKJSALK-VIFPVBQESA-N 1 2 233.275 0.190 20 0 BCADLO Cn1cnn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=O ZINC000758315252 585353778 /nfs/dbraw/zinc/35/37/78/585353778.db2.gz BOROVNBDXNNJDK-SNVBAGLBSA-N 1 2 222.292 0.414 20 0 BCADLO Cn1cnn(C[N@H+]2CCC[C@@H]2C2CC2)c1=O ZINC000758315252 585353779 /nfs/dbraw/zinc/35/37/79/585353779.db2.gz BOROVNBDXNNJDK-SNVBAGLBSA-N 1 2 222.292 0.414 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc2cnccn2c1=O ZINC000758333873 585353953 /nfs/dbraw/zinc/35/39/53/585353953.db2.gz ZELVDKPEIXNNNO-VHSXEESVSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc2cnccn2c1=O ZINC000758333873 585353954 /nfs/dbraw/zinc/35/39/54/585353954.db2.gz ZELVDKPEIXNNNO-VHSXEESVSA-N 1 2 247.302 0.579 20 0 BCADLO C[C@H]([N@H+](C)Cn1ncn(C)c1=O)C1(C)CC1 ZINC000758350956 585354288 /nfs/dbraw/zinc/35/42/88/585354288.db2.gz HJQVYWJWEFAXJY-VIFPVBQESA-N 1 2 224.308 0.660 20 0 BCADLO C[C@H]([N@@H+](C)Cn1ncn(C)c1=O)C1(C)CC1 ZINC000758350956 585354289 /nfs/dbraw/zinc/35/42/89/585354289.db2.gz HJQVYWJWEFAXJY-VIFPVBQESA-N 1 2 224.308 0.660 20 0 BCADLO CC[C@H](C)C[N@H+](CC)Cn1ncn(C)c1=O ZINC000758355167 585354650 /nfs/dbraw/zinc/35/46/50/585354650.db2.gz JSYFZNILZDAMBP-JTQLQIEISA-N 1 2 226.324 0.907 20 0 BCADLO CC[C@H](C)C[N@@H+](CC)Cn1ncn(C)c1=O ZINC000758355167 585354651 /nfs/dbraw/zinc/35/46/51/585354651.db2.gz JSYFZNILZDAMBP-JTQLQIEISA-N 1 2 226.324 0.907 20 0 BCADLO C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000758495929 585356551 /nfs/dbraw/zinc/35/65/51/585356551.db2.gz YBICLFYIWVWZDR-SECBINFHSA-N 1 2 233.271 0.787 20 0 BCADLO COCC1(O)CC[NH+](Cc2nonc2C)CC1 ZINC000759308948 585366792 /nfs/dbraw/zinc/36/67/92/585366792.db2.gz KGUKSDPTXFSVRE-UHFFFAOYSA-N 1 2 241.291 0.351 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NOCC(F)F ZINC000759326970 585367652 /nfs/dbraw/zinc/36/76/52/585367652.db2.gz DRQXFBCEWWPFHG-UHFFFAOYSA-N 1 2 233.218 0.976 20 0 BCADLO C[N@H+](CCF)CC(=O)NCc1ccco1 ZINC000759333156 585368332 /nfs/dbraw/zinc/36/83/32/585368332.db2.gz VDPVGPWYPCOJKF-UHFFFAOYSA-N 1 2 214.240 0.797 20 0 BCADLO C[N@@H+](CCF)CC(=O)NCc1ccco1 ZINC000759333156 585368333 /nfs/dbraw/zinc/36/83/33/585368333.db2.gz VDPVGPWYPCOJKF-UHFFFAOYSA-N 1 2 214.240 0.797 20 0 BCADLO O=C1C[N@@H+](CCF)[C@@H]2CCCC[C@H]2N1 ZINC000759370768 585371713 /nfs/dbraw/zinc/37/17/13/585371713.db2.gz HGGFEJYUUANJGJ-RKDXNWHRSA-N 1 2 200.257 0.699 20 0 BCADLO O=C1C[N@H+](CCF)[C@@H]2CCCC[C@H]2N1 ZINC000759370768 585371714 /nfs/dbraw/zinc/37/17/14/585371714.db2.gz HGGFEJYUUANJGJ-RKDXNWHRSA-N 1 2 200.257 0.699 20 0 BCADLO CC(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759871457 585381727 /nfs/dbraw/zinc/38/17/27/585381727.db2.gz VFCMGIHGQOKHEM-QMTHXVAHSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759871457 585381728 /nfs/dbraw/zinc/38/17/28/585381728.db2.gz VFCMGIHGQOKHEM-QMTHXVAHSA-N 1 2 217.334 0.808 20 0 BCADLO COC(C[N@@H+]1CC[C@H](C)[S@](=O)CC1)OC ZINC000759876138 585382165 /nfs/dbraw/zinc/38/21/65/585382165.db2.gz RIZSYXJTOKTMCP-BJOHPYRUSA-N 1 2 235.349 0.448 20 0 BCADLO COC(C[N@H+]1CC[C@H](C)[S@](=O)CC1)OC ZINC000759876138 585382166 /nfs/dbraw/zinc/38/21/66/585382166.db2.gz RIZSYXJTOKTMCP-BJOHPYRUSA-N 1 2 235.349 0.448 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000760145733 585386135 /nfs/dbraw/zinc/38/61/35/585386135.db2.gz FUDBKJPSBMJWGG-SSDOTTSWSA-N 1 2 245.229 0.758 20 0 BCADLO O=C(NOCC(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000760145735 585386142 /nfs/dbraw/zinc/38/61/42/585386142.db2.gz FUDBKJPSBMJWGG-ZETCQYMHSA-N 1 2 245.229 0.758 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOCC(F)F ZINC000760159298 585386382 /nfs/dbraw/zinc/38/63/82/585386382.db2.gz HARMNXUIVBAPBR-UHFFFAOYSA-N 1 2 238.234 0.022 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCOCCO)C(C)(C)C ZINC000760917456 585401739 /nfs/dbraw/zinc/40/17/39/585401739.db2.gz QFTXYLYBARQYNF-SNVBAGLBSA-N 1 2 247.335 0.563 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761067461 585404788 /nfs/dbraw/zinc/40/47/88/585404788.db2.gz DYDJPQCQWTVQLX-WDEREUQCSA-N 1 2 241.379 0.926 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761067461 585404789 /nfs/dbraw/zinc/40/47/89/585404789.db2.gz DYDJPQCQWTVQLX-WDEREUQCSA-N 1 2 241.379 0.926 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761080979 585406830 /nfs/dbraw/zinc/40/68/30/585406830.db2.gz KWHMQIVLQYIFHX-RYUDHWBXSA-N 1 2 241.379 0.879 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761080979 585406831 /nfs/dbraw/zinc/40/68/31/585406831.db2.gz KWHMQIVLQYIFHX-RYUDHWBXSA-N 1 2 241.379 0.879 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)NCC(F)(F)F ZINC000761083438 585407267 /nfs/dbraw/zinc/40/72/67/585407267.db2.gz JLQXQVODEFLUHK-RQJHMYQMSA-N 1 2 222.210 0.759 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)NCC(F)(F)F ZINC000761083438 585407268 /nfs/dbraw/zinc/40/72/68/585407268.db2.gz JLQXQVODEFLUHK-RQJHMYQMSA-N 1 2 222.210 0.759 20 0 BCADLO CC(C)OCC(N)=[NH+]OCc1cn(C)nn1 ZINC000761310871 585413467 /nfs/dbraw/zinc/41/34/67/585413467.db2.gz YYGJGBMKUMBSJC-UHFFFAOYSA-N 1 2 227.268 0.239 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000762196715 585428896 /nfs/dbraw/zinc/42/88/96/585428896.db2.gz SKDJFZWIBOIPOR-VIFPVBQESA-N 1 2 226.276 0.833 20 0 BCADLO CC[C@@H](C(=O)N=c1nc[nH]n1C)[NH+](CC)CC ZINC000762358002 585431276 /nfs/dbraw/zinc/43/12/76/585431276.db2.gz WNXMCTRIMNQREM-VIFPVBQESA-N 1 2 239.323 0.296 20 0 BCADLO Cn1cc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000763113112 585443280 /nfs/dbraw/zinc/44/32/80/585443280.db2.gz TZZMBYAQYMEXDY-UHFFFAOYSA-N 1 2 220.232 0.474 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763888110 585456179 /nfs/dbraw/zinc/45/61/79/585456179.db2.gz GBDSDZQUHUYFPI-CMPLNLGQSA-N 1 2 245.319 0.411 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763888110 585456180 /nfs/dbraw/zinc/45/61/80/585456180.db2.gz GBDSDZQUHUYFPI-CMPLNLGQSA-N 1 2 245.319 0.411 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764784866 585473534 /nfs/dbraw/zinc/47/35/34/585473534.db2.gz UAYLZEWXBPHJAU-CMPLNLGQSA-N 1 2 236.271 0.890 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@]12CCOC2 ZINC000764784867 585473548 /nfs/dbraw/zinc/47/35/48/585473548.db2.gz UAYLZEWXBPHJAU-JQWIXIFHSA-N 1 2 236.271 0.890 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)C(C)(C)C ZINC000764836891 585475421 /nfs/dbraw/zinc/47/54/21/585475421.db2.gz HKIUXPMLJDRHCL-UWVGGRQHSA-N 1 2 239.319 0.795 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C(=O)OC(C)(C)C ZINC000764866978 585476445 /nfs/dbraw/zinc/47/64/45/585476445.db2.gz GJLSYDLJCVIWAT-UHFFFAOYSA-N 1 2 239.275 0.378 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ncccn1 ZINC000764896631 585477314 /nfs/dbraw/zinc/47/73/14/585477314.db2.gz DIGMEMCWUCSLLR-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ncccn1 ZINC000764896631 585477315 /nfs/dbraw/zinc/47/73/15/585477315.db2.gz DIGMEMCWUCSLLR-QMMMGPOBSA-N 1 2 243.270 0.487 20 0 BCADLO CCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000764899051 585477382 /nfs/dbraw/zinc/47/73/82/585477382.db2.gz KQUMBFMIHGLYCD-VIFPVBQESA-N 1 2 249.314 0.810 20 0 BCADLO CCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000764899051 585477383 /nfs/dbraw/zinc/47/73/83/585477383.db2.gz KQUMBFMIHGLYCD-VIFPVBQESA-N 1 2 249.314 0.810 20 0 BCADLO O=C(NN1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000765241732 585483281 /nfs/dbraw/zinc/48/32/81/585483281.db2.gz ZODQSWVIUYIHSE-LLVKDONJSA-N 1 2 248.330 0.963 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1COC(=O)C1 ZINC000765545569 585489336 /nfs/dbraw/zinc/48/93/36/585489336.db2.gz KILBEBJVXNLSQR-VIFPVBQESA-N 1 2 248.282 0.958 20 0 BCADLO CCNC(=S)NCC1([NH+]2CCOCC2)CC1 ZINC000765975558 585494811 /nfs/dbraw/zinc/49/48/11/585494811.db2.gz GSLDDEGJBFHHHL-UHFFFAOYSA-N 1 2 243.376 0.335 20 0 BCADLO CC[N@@H+]1C[C@H](C)N(CCS(C)(=O)=O)C[C@H]1C ZINC000766253854 585500001 /nfs/dbraw/zinc/50/00/01/585500001.db2.gz LEPWNEGUBPBTAY-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CC[N@H+]1C[C@H](C)N(CCS(C)(=O)=O)C[C@H]1C ZINC000766253854 585500002 /nfs/dbraw/zinc/50/00/02/585500002.db2.gz LEPWNEGUBPBTAY-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@H](C)[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC000766253854 585500004 /nfs/dbraw/zinc/50/00/04/585500004.db2.gz LEPWNEGUBPBTAY-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO CCN1C[C@H](C)[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC000766253854 585500005 /nfs/dbraw/zinc/50/00/05/585500005.db2.gz LEPWNEGUBPBTAY-MNOVXSKESA-N 1 2 248.392 0.446 20 0 BCADLO Cn1ncc2c1nc(NCc1ccon1)[nH+]c2N ZINC000767253647 585515754 /nfs/dbraw/zinc/51/57/54/585515754.db2.gz DKRBLLGCVNLNBI-UHFFFAOYSA-N 1 2 245.246 0.546 20 0 BCADLO C[N@H+](CCC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000767361420 585517653 /nfs/dbraw/zinc/51/76/53/585517653.db2.gz MIKHULJHFNHMPH-JTQLQIEISA-N 1 2 245.344 0.475 20 0 BCADLO C[N@@H+](CCC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000767361420 585517654 /nfs/dbraw/zinc/51/76/54/585517654.db2.gz MIKHULJHFNHMPH-JTQLQIEISA-N 1 2 245.344 0.475 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000767600139 585522896 /nfs/dbraw/zinc/52/28/96/585522896.db2.gz PLOUDROIOPGAIB-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccncc1C[N@H+]1CCOC[C@@H]1CCO ZINC000767600139 585522897 /nfs/dbraw/zinc/52/28/97/585522897.db2.gz PLOUDROIOPGAIB-ZDUSSCGKSA-N 1 2 236.315 0.973 20 0 BCADLO FCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000767906158 585528288 /nfs/dbraw/zinc/52/82/88/585528288.db2.gz OONZWGKMOZLLDV-UHFFFAOYSA-N 1 2 203.257 0.837 20 0 BCADLO FCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000767906158 585528289 /nfs/dbraw/zinc/52/82/89/585528289.db2.gz OONZWGKMOZLLDV-UHFFFAOYSA-N 1 2 203.257 0.837 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000768137100 585532664 /nfs/dbraw/zinc/53/26/64/585532664.db2.gz KMFVJKRUIJNNFZ-UHFFFAOYSA-N 1 2 208.261 0.944 20 0 BCADLO Cc1cc(C[N@H+](C)CC(N)=O)cnc1Cl ZINC000768245293 585534884 /nfs/dbraw/zinc/53/48/84/585534884.db2.gz NMMBOOAXVKRKBO-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(N)=O)cnc1Cl ZINC000768245293 585534885 /nfs/dbraw/zinc/53/48/85/585534885.db2.gz NMMBOOAXVKRKBO-UHFFFAOYSA-N 1 2 227.695 0.961 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)F)CCO1 ZINC000768381871 585537359 /nfs/dbraw/zinc/53/73/59/585537359.db2.gz IZSHITBJUPNSSI-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)F)CCO1 ZINC000768381871 585537360 /nfs/dbraw/zinc/53/73/60/585537360.db2.gz IZSHITBJUPNSSI-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)F)CC1 ZINC000768393136 585537974 /nfs/dbraw/zinc/53/79/74/585537974.db2.gz WOSBDZLCHKASJC-SECBINFHSA-N 1 2 232.299 0.260 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)F ZINC000768397824 585538053 /nfs/dbraw/zinc/53/80/53/585538053.db2.gz KIKSWTPLVDIZAF-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)F ZINC000768397824 585538054 /nfs/dbraw/zinc/53/80/54/585538054.db2.gz KIKSWTPLVDIZAF-VIFPVBQESA-N 1 2 232.299 0.571 20 0 BCADLO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)on1 ZINC000768716597 585542177 /nfs/dbraw/zinc/54/21/77/585542177.db2.gz NTSKQAQQCBMKOA-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000768716597 585542178 /nfs/dbraw/zinc/54/21/78/585542178.db2.gz NTSKQAQQCBMKOA-MRVPVSSYSA-N 1 2 239.275 0.459 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OCC(=O)NC1CC1 ZINC000768932218 585546099 /nfs/dbraw/zinc/54/60/99/585546099.db2.gz MDZQQQZLLHYSIQ-UHFFFAOYSA-N 1 2 243.307 0.579 20 0 BCADLO COCCO[NH+]=C(N)COC(C)(C)C ZINC000768932224 585546185 /nfs/dbraw/zinc/54/61/85/585546185.db2.gz MHXUOZCAQYYIIJ-UHFFFAOYSA-N 1 2 204.270 0.946 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(C)(C)F)CC1 ZINC000768983705 585547045 /nfs/dbraw/zinc/54/70/45/585547045.db2.gz XTCSNAVKFVKVEZ-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769025214 585547757 /nfs/dbraw/zinc/54/77/57/585547757.db2.gz JKYDHFGPVLKOPC-PWSUYJOCSA-N 1 2 248.330 0.710 20 0 BCADLO O=C1C[N@H+](Cc2cncs2)CCCN1 ZINC000769110310 585549036 /nfs/dbraw/zinc/54/90/36/585549036.db2.gz WLFQXDDWAWGNRN-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO O=C1C[N@@H+](Cc2cncs2)CCCN1 ZINC000769110310 585549037 /nfs/dbraw/zinc/54/90/37/585549037.db2.gz WLFQXDDWAWGNRN-UHFFFAOYSA-N 1 2 211.290 0.465 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCCNC(=O)C1 ZINC000769115008 585549279 /nfs/dbraw/zinc/54/92/79/585549279.db2.gz MGWITTXOMGCBMP-UHFFFAOYSA-N 1 2 208.265 0.040 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCCNC(=O)C1 ZINC000769115008 585549280 /nfs/dbraw/zinc/54/92/80/585549280.db2.gz MGWITTXOMGCBMP-UHFFFAOYSA-N 1 2 208.265 0.040 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000769451442 585557322 /nfs/dbraw/zinc/55/73/22/585557322.db2.gz LYPOZEWIZLVDIV-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000769451442 585557323 /nfs/dbraw/zinc/55/73/23/585557323.db2.gz LYPOZEWIZLVDIV-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO CC(C)NC(=S)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769792578 585563566 /nfs/dbraw/zinc/56/35/66/585563566.db2.gz KIHOKICVBVAEAQ-UWVGGRQHSA-N 1 2 245.392 0.578 20 0 BCADLO CC(C)NC(=S)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769792578 585563567 /nfs/dbraw/zinc/56/35/67/585563567.db2.gz KIHOKICVBVAEAQ-UWVGGRQHSA-N 1 2 245.392 0.578 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCCOC1 ZINC000769878017 585565867 /nfs/dbraw/zinc/56/58/67/585565867.db2.gz OCMYCUFLOFLDHV-BDAKNGLRSA-N 1 2 216.281 0.946 20 0 BCADLO CC(C)(O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770433374 585574021 /nfs/dbraw/zinc/57/40/21/585574021.db2.gz BWRHROQLPHNNOT-UHFFFAOYSA-N 1 2 233.271 0.835 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H](O)C1 ZINC000770434836 585574099 /nfs/dbraw/zinc/57/40/99/585574099.db2.gz LEGCGKDLZQQEEV-VIFPVBQESA-N 1 2 231.255 0.541 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@](C)(CO)C1CC1 ZINC000770463240 585574611 /nfs/dbraw/zinc/57/46/11/585574611.db2.gz WVXFBIKQXJSMQI-GFCCVEGCSA-N 1 2 247.302 0.936 20 0 BCADLO CCc1cc(NC2CN(C(=O)OC)C2)nc[nH+]1 ZINC000770471278 585574739 /nfs/dbraw/zinc/57/47/39/585574739.db2.gz RGFYGPRIUNDEQY-UHFFFAOYSA-N 1 2 236.275 0.902 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000771012998 585587174 /nfs/dbraw/zinc/58/71/74/585587174.db2.gz ONNCQQGWGVPJQU-GHMZBOCLSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@@]1([NH2+]CCCN2CCOC2=O)CCOC1=O ZINC000810096556 585592272 /nfs/dbraw/zinc/59/22/72/585592272.db2.gz QMFCSKUENFZWSK-LLVKDONJSA-N 1 2 242.275 0.124 20 0 BCADLO C[C@]1([NH2+]CCCN2CCOC2=O)CCOC1=O ZINC000810096557 585592393 /nfs/dbraw/zinc/59/23/93/585592393.db2.gz QMFCSKUENFZWSK-NSHDSACASA-N 1 2 242.275 0.124 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](CCS(C)(=O)=O)CCN1C ZINC000771459906 585594540 /nfs/dbraw/zinc/59/45/40/585594540.db2.gz MWHZQBWAZPQJEP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](CCS(C)(=O)=O)CCN1C ZINC000771459906 585594541 /nfs/dbraw/zinc/59/45/41/585594541.db2.gz MWHZQBWAZPQJEP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1CCS(C)(=O)=O ZINC000771459906 585594542 /nfs/dbraw/zinc/59/45/42/585594542.db2.gz MWHZQBWAZPQJEP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCS(C)(=O)=O ZINC000771459906 585594543 /nfs/dbraw/zinc/59/45/43/585594543.db2.gz MWHZQBWAZPQJEP-UWVGGRQHSA-N 1 2 234.365 0.055 20 0 BCADLO Cn1ncnc1CO[NH+]=C(N)Cc1cccnc1 ZINC000771664014 585598674 /nfs/dbraw/zinc/59/86/74/585598674.db2.gz GECWFMUJBHXEND-UHFFFAOYSA-N 1 2 246.274 0.451 20 0 BCADLO O=C(Cn1ccccc1=O)OCCn1cc[nH+]c1 ZINC000771893028 585604171 /nfs/dbraw/zinc/60/41/71/585604171.db2.gz LMTVPVMCHJZARA-UHFFFAOYSA-N 1 2 247.254 0.288 20 0 BCADLO Cc1nccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000771928352 585604753 /nfs/dbraw/zinc/60/47/53/585604753.db2.gz QLVCFJHVTMCGHE-UHFFFAOYSA-N 1 2 232.243 0.839 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000771936231 585604964 /nfs/dbraw/zinc/60/49/64/585604964.db2.gz AKSBBTHQHAOXJP-SECBINFHSA-N 1 2 210.233 0.463 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000771973746 585605789 /nfs/dbraw/zinc/60/57/89/585605789.db2.gz MZLWJTZSLFQYDO-UWVGGRQHSA-N 1 2 224.260 0.587 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1cccnc1 ZINC000771977136 585605830 /nfs/dbraw/zinc/60/58/30/585605830.db2.gz HWQZCKCYBXGMMJ-GFCCVEGCSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)CCCO1 ZINC000771994703 585606380 /nfs/dbraw/zinc/60/63/80/585606380.db2.gz PVLMZVSLIVFUDS-LLVKDONJSA-N 1 2 224.260 0.995 20 0 BCADLO Cn1c(=O)cccc1C(=O)OCCn1cc[nH+]c1 ZINC000772032737 585607111 /nfs/dbraw/zinc/60/71/11/585607111.db2.gz LARPYBSTFZWFIY-UHFFFAOYSA-N 1 2 247.254 0.439 20 0 BCADLO Cc1ccc(COC(=O)[C@@H]2CNC(=O)N2)c(C)[nH+]1 ZINC000772114952 585608696 /nfs/dbraw/zinc/60/86/96/585608696.db2.gz NDIAHNHRWCCMOA-JTQLQIEISA-N 1 2 249.270 0.423 20 0 BCADLO COC[C@@H](O)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772231154 585609976 /nfs/dbraw/zinc/60/99/76/585609976.db2.gz KJMSHDRDJNDRTK-LLVKDONJSA-N 1 2 239.271 0.749 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)C(C)C)C1 ZINC000805470403 585622686 /nfs/dbraw/zinc/62/26/86/585622686.db2.gz SDTUDLCDHAUJGI-LLVKDONJSA-N 1 2 243.303 0.475 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)C(C)C)C1 ZINC000805470403 585622687 /nfs/dbraw/zinc/62/26/87/585622687.db2.gz SDTUDLCDHAUJGI-LLVKDONJSA-N 1 2 243.303 0.475 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCOC)C1 ZINC000805471515 585623841 /nfs/dbraw/zinc/62/38/41/585623841.db2.gz LXHYRGWNXCBNOL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCCCOC)C1 ZINC000805471515 585623842 /nfs/dbraw/zinc/62/38/42/585623842.db2.gz LXHYRGWNXCBNOL-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)CCOC)C1 ZINC000805471596 585624153 /nfs/dbraw/zinc/62/41/53/585624153.db2.gz ORSFDHKDDWVMBD-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)CCOC)C1 ZINC000805471596 585624154 /nfs/dbraw/zinc/62/41/54/585624154.db2.gz ORSFDHKDDWVMBD-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO C/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811811 585624566 /nfs/dbraw/zinc/62/45/66/585624566.db2.gz IGMFSRRSFHHLKS-UFUPEUMYSA-N 1 2 205.261 0.959 20 0 BCADLO CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811811 585624567 /nfs/dbraw/zinc/62/45/67/585624567.db2.gz IGMFSRRSFHHLKS-UFUPEUMYSA-N 1 2 205.261 0.959 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772814597 585624710 /nfs/dbraw/zinc/62/47/10/585624710.db2.gz RWHPEMOCTTUHSC-QMMMGPOBSA-N 1 2 249.314 0.998 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772814597 585624711 /nfs/dbraw/zinc/62/47/11/585624711.db2.gz RWHPEMOCTTUHSC-QMMMGPOBSA-N 1 2 249.314 0.998 20 0 BCADLO CC1(OCC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000772964351 585628279 /nfs/dbraw/zinc/62/82/79/585628279.db2.gz MUXBIULRJREPKJ-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2(C)COC2)C1 ZINC000805477904 585632830 /nfs/dbraw/zinc/63/28/30/585632830.db2.gz PLOVWWKFYVSBOM-JTQLQIEISA-N 1 2 243.303 0.287 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCC2(C)COC2)C1 ZINC000805477904 585632831 /nfs/dbraw/zinc/63/28/31/585632831.db2.gz PLOVWWKFYVSBOM-JTQLQIEISA-N 1 2 243.303 0.287 20 0 BCADLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC000773281429 585634583 /nfs/dbraw/zinc/63/45/83/585634583.db2.gz CSZNUWKMAURKCW-QMMMGPOBSA-N 1 2 248.290 0.376 20 0 BCADLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC000773281429 585634584 /nfs/dbraw/zinc/63/45/84/585634584.db2.gz CSZNUWKMAURKCW-QMMMGPOBSA-N 1 2 248.290 0.376 20 0 BCADLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC000773281429 585634585 /nfs/dbraw/zinc/63/45/85/585634585.db2.gz CSZNUWKMAURKCW-QMMMGPOBSA-N 1 2 248.290 0.376 20 0 BCADLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773895229 585646285 /nfs/dbraw/zinc/64/62/85/585646285.db2.gz HEXCERKHRBVNCN-LLVKDONJSA-N 1 2 242.363 0.944 20 0 BCADLO COC/C=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000774021960 585648536 /nfs/dbraw/zinc/64/85/36/585648536.db2.gz XSPJSVCOISFYDO-ONEGZZNKSA-N 1 2 209.249 0.537 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H]1COCCO1 ZINC000774059251 585649180 /nfs/dbraw/zinc/64/91/80/585649180.db2.gz YZYRCPRDRDMNSN-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@H]1COCCO1 ZINC000774059251 585649181 /nfs/dbraw/zinc/64/91/81/585649181.db2.gz YZYRCPRDRDMNSN-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO CN(C)c1c[nH+]ccc1NC(=O)C1=COCCO1 ZINC000774094872 585650298 /nfs/dbraw/zinc/65/02/98/585650298.db2.gz MZTPOZDZYUNJFL-UHFFFAOYSA-N 1 2 249.270 0.396 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)OC ZINC000774555227 585661278 /nfs/dbraw/zinc/66/12/78/585661278.db2.gz GVKFIRPGMZKJGS-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)OC ZINC000774555227 585661279 /nfs/dbraw/zinc/66/12/79/585661279.db2.gz GVKFIRPGMZKJGS-NXEZZACHSA-N 1 2 230.308 0.506 20 0 BCADLO COC1(C)CC[NH+](Cn2ncn(C)c2=O)CC1 ZINC000774641153 585662667 /nfs/dbraw/zinc/66/26/67/585662667.db2.gz YSRHWDIMNAQXKL-UHFFFAOYSA-N 1 2 240.307 0.040 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000774759075 585665298 /nfs/dbraw/zinc/66/52/98/585665298.db2.gz GCSDZCOAOUTVQT-JTQLQIEISA-N 1 2 228.292 0.117 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000774759075 585665299 /nfs/dbraw/zinc/66/52/99/585665299.db2.gz GCSDZCOAOUTVQT-JTQLQIEISA-N 1 2 228.292 0.117 20 0 BCADLO CCn1nccc1C(=O)OCCn1cc[nH+]c1 ZINC000775024053 585670596 /nfs/dbraw/zinc/67/05/96/585670596.db2.gz UIUNHOQLCSGWJL-UHFFFAOYSA-N 1 2 234.259 0.957 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000775570318 585680380 /nfs/dbraw/zinc/68/03/80/585680380.db2.gz WDCRRPIBEPYWKR-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccon1 ZINC000775570318 585680381 /nfs/dbraw/zinc/68/03/81/585680381.db2.gz WDCRRPIBEPYWKR-VIFPVBQESA-N 1 2 239.275 0.724 20 0 BCADLO COc1ccc(C[N@@H+]2CCCNC(=O)C2)nc1 ZINC000775963800 585688536 /nfs/dbraw/zinc/68/85/36/585688536.db2.gz NZLXRBQPAJQAIV-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccc(C[N@H+]2CCCNC(=O)C2)nc1 ZINC000775963800 585688537 /nfs/dbraw/zinc/68/85/37/585688537.db2.gz NZLXRBQPAJQAIV-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000776306433 585695438 /nfs/dbraw/zinc/69/54/38/585695438.db2.gz LKAJUYYIIBEVNJ-GXSJLCMTSA-N 1 2 227.304 0.906 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)C2CC2)C1 ZINC000776307822 585695469 /nfs/dbraw/zinc/69/54/69/585695469.db2.gz XMSARBHRAQMHAG-UHFFFAOYSA-N 1 2 213.277 0.660 20 0 BCADLO CO[C@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776591588 585702107 /nfs/dbraw/zinc/70/21/07/585702107.db2.gz KROSNYRVIXATAZ-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CO[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776591588 585702108 /nfs/dbraw/zinc/70/21/08/585702108.db2.gz KROSNYRVIXATAZ-JTQLQIEISA-N 1 2 215.293 0.906 20 0 BCADLO CC[C@H]1C[N@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000776759384 585704145 /nfs/dbraw/zinc/70/41/45/585704145.db2.gz MTCXUYFULYUJKM-ZJUUUORDSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000776759384 585704146 /nfs/dbraw/zinc/70/41/46/585704146.db2.gz MTCXUYFULYUJKM-ZJUUUORDSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000776759381 585704366 /nfs/dbraw/zinc/70/43/66/585704366.db2.gz MTCXUYFULYUJKM-NXEZZACHSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000776759381 585704367 /nfs/dbraw/zinc/70/43/67/585704367.db2.gz MTCXUYFULYUJKM-NXEZZACHSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@@H]1[N@H+](Cn2cnnc2)CCOC1(C)C ZINC000776764764 585705259 /nfs/dbraw/zinc/70/52/59/585705259.db2.gz PSAUSYFMTOSMCD-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO C[C@@H]1[N@@H+](Cn2cnnc2)CCOC1(C)C ZINC000776764764 585705260 /nfs/dbraw/zinc/70/52/60/585705260.db2.gz PSAUSYFMTOSMCD-VIFPVBQESA-N 1 2 210.281 0.735 20 0 BCADLO CN(C)c1cc(CN2C(=O)CN(C)C2=O)cc[nH+]1 ZINC000777580711 585715877 /nfs/dbraw/zinc/71/58/77/585715877.db2.gz OWIPPGQRTNITHM-UHFFFAOYSA-N 1 2 248.286 0.542 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000777598905 585716776 /nfs/dbraw/zinc/71/67/76/585716776.db2.gz CMMCKZVFZHSVAU-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000777598905 585716777 /nfs/dbraw/zinc/71/67/77/585716777.db2.gz CMMCKZVFZHSVAU-MNOVXSKESA-N 1 2 243.303 0.239 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000777713730 585718801 /nfs/dbraw/zinc/71/88/01/585718801.db2.gz TZCLNDBGPPZPOT-JTQLQIEISA-N 1 2 213.277 0.470 20 0 BCADLO C(C1OCCO1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000777713730 585718802 /nfs/dbraw/zinc/71/88/02/585718802.db2.gz TZCLNDBGPPZPOT-JTQLQIEISA-N 1 2 213.277 0.470 20 0 BCADLO O=[S@](CCO)Cc1cn2ccccc2[nH+]1 ZINC000777876111 585722242 /nfs/dbraw/zinc/72/22/42/585722242.db2.gz YSOPALVKYQWRLL-OAHLLOKOSA-N 1 2 224.285 0.575 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000777968380 585724659 /nfs/dbraw/zinc/72/46/59/585724659.db2.gz OMPGGFHFDAJHBA-BDAKNGLRSA-N 1 2 243.282 0.518 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000777968380 585724660 /nfs/dbraw/zinc/72/46/60/585724660.db2.gz OMPGGFHFDAJHBA-BDAKNGLRSA-N 1 2 243.282 0.518 20 0 BCADLO COC(=O)C(C)(C)N1CC[NH+](CCF)CC1 ZINC000778188841 585727162 /nfs/dbraw/zinc/72/71/62/585727162.db2.gz JJRAAQLFSMXMOL-UHFFFAOYSA-N 1 2 232.299 0.525 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC1OCCO1 ZINC000778413363 585734111 /nfs/dbraw/zinc/73/41/11/585734111.db2.gz KQPUPDXHHXIDLV-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC1OCCO1 ZINC000778413363 585734112 /nfs/dbraw/zinc/73/41/12/585734112.db2.gz KQPUPDXHHXIDLV-SNVBAGLBSA-N 1 2 242.319 0.302 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(C)=O ZINC000778417428 585734701 /nfs/dbraw/zinc/73/47/01/585734701.db2.gz PAWMWUZGGDWFKS-LLVKDONJSA-N 1 2 226.320 0.908 20 0 BCADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(C)=O ZINC000778417428 585734702 /nfs/dbraw/zinc/73/47/02/585734702.db2.gz PAWMWUZGGDWFKS-LLVKDONJSA-N 1 2 226.320 0.908 20 0 BCADLO CN(C)c1cc(COC(=O)c2cn[nH]n2)cc[nH+]1 ZINC000805608733 585735564 /nfs/dbraw/zinc/73/55/64/585735564.db2.gz IOMWKOHJBWXFDS-UHFFFAOYSA-N 1 2 247.258 0.623 20 0 BCADLO CC(C)N1C(=O)CN(C[N@H+]2CC=CCC2)C1=O ZINC000778577782 585737845 /nfs/dbraw/zinc/73/78/45/585737845.db2.gz VYVXFCJJQJXCID-UHFFFAOYSA-N 1 2 237.303 0.878 20 0 BCADLO CC(C)N1C(=O)CN(C[N@@H+]2CC=CCC2)C1=O ZINC000778577782 585737846 /nfs/dbraw/zinc/73/78/46/585737846.db2.gz VYVXFCJJQJXCID-UHFFFAOYSA-N 1 2 237.303 0.878 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1ccn(C)n1 ZINC000778599420 585737881 /nfs/dbraw/zinc/73/78/81/585737881.db2.gz YANUNQDYZGAMCE-ZETCQYMHSA-N 1 2 212.253 0.453 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]O[C@H]1CCCN(C)C1=O ZINC000778599374 585737938 /nfs/dbraw/zinc/73/79/38/585737938.db2.gz XMZPVQDORPOQOW-YUMQZZPRSA-N 1 2 229.280 0.141 20 0 BCADLO CCN(C(=O)C[NH+]1CCOCC1)C(C)C ZINC000779182871 585746838 /nfs/dbraw/zinc/74/68/38/585746838.db2.gz AVFZHGXPHNUEPY-UHFFFAOYSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC000779574537 585756332 /nfs/dbraw/zinc/75/63/32/585756332.db2.gz SRSCTPNIESUARN-JTQLQIEISA-N 1 2 225.292 0.408 20 0 BCADLO CC[C@H](CO)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000779766766 585761640 /nfs/dbraw/zinc/76/16/40/585761640.db2.gz AWCCFNIVGPAGLO-MRVPVSSYSA-N 1 2 211.265 0.387 20 0 BCADLO CC[C@@H](CO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000779775210 585762210 /nfs/dbraw/zinc/76/22/10/585762210.db2.gz AYNPOTFAEXXIBI-VIFPVBQESA-N 1 2 208.261 0.769 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000779814232 585766592 /nfs/dbraw/zinc/76/65/92/585766592.db2.gz XRAWVHHVANMOFU-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000779814232 585766593 /nfs/dbraw/zinc/76/65/93/585766593.db2.gz XRAWVHHVANMOFU-RKDXNWHRSA-N 1 2 237.303 0.402 20 0 BCADLO Cc1cnc([C@H](C)O[NH+]=C(N)CCO)o1 ZINC000780127937 585772810 /nfs/dbraw/zinc/77/28/10/585772810.db2.gz QJYLHAPKTVMMNU-ZETCQYMHSA-N 1 2 213.237 0.925 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC(C(C)(C)O)C1 ZINC000780278937 585776544 /nfs/dbraw/zinc/77/65/44/585776544.db2.gz GUDPMPVGZJCTKO-UHFFFAOYSA-N 1 2 235.349 0.124 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cnns1)C2 ZINC000859269658 589025650 /nfs/dbraw/zinc/02/56/50/589025650.db2.gz FMAZNBJDYDUJPR-APPZFPTMSA-N 1 2 211.290 0.352 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cnns1)C2 ZINC000859269658 589025652 /nfs/dbraw/zinc/02/56/52/589025652.db2.gz FMAZNBJDYDUJPR-APPZFPTMSA-N 1 2 211.290 0.352 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781557863 585798569 /nfs/dbraw/zinc/79/85/69/585798569.db2.gz XNGYPVTVZANNBO-LLVKDONJSA-N 1 2 241.335 0.065 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781557863 585798570 /nfs/dbraw/zinc/79/85/70/585798570.db2.gz XNGYPVTVZANNBO-LLVKDONJSA-N 1 2 241.335 0.065 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CC(OC)OC ZINC000781897247 585804602 /nfs/dbraw/zinc/80/46/02/585804602.db2.gz QABNZHCETXBYRY-UHFFFAOYSA-N 1 2 219.281 0.489 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CC(OC)OC ZINC000781897247 585804603 /nfs/dbraw/zinc/80/46/03/585804603.db2.gz QABNZHCETXBYRY-UHFFFAOYSA-N 1 2 219.281 0.489 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)CO ZINC000782268472 585813538 /nfs/dbraw/zinc/81/35/38/585813538.db2.gz YCXDAQQOFHLZJH-JTQLQIEISA-N 1 2 245.319 0.269 20 0 BCADLO Cc1nc(N2CC(=O)N(C)C[C@@H]2C)cc[nH+]1 ZINC000782399132 585817305 /nfs/dbraw/zinc/81/73/05/585817305.db2.gz LJTMCHQPSDTPJL-QMMMGPOBSA-N 1 2 220.276 0.452 20 0 BCADLO Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)nc[nH+]1 ZINC000782400762 585817317 /nfs/dbraw/zinc/81/73/17/585817317.db2.gz ARMFRNNJXPSBNZ-KOLCDFICSA-N 1 2 205.261 0.604 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NCCn1ccnn1 ZINC000782489062 585818953 /nfs/dbraw/zinc/81/89/53/585818953.db2.gz JQYKTODITCTDRI-UHFFFAOYSA-N 1 2 248.290 0.071 20 0 BCADLO Cc1nonc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782537703 585820087 /nfs/dbraw/zinc/82/00/87/585820087.db2.gz VEFQDHAXDFDPCR-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO Cc1nonc1C[N@H+]1CCOCC2(CC2)C1 ZINC000782537703 585820088 /nfs/dbraw/zinc/82/00/88/585820088.db2.gz VEFQDHAXDFDPCR-UHFFFAOYSA-N 1 2 223.276 0.990 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCF ZINC000782569803 585820229 /nfs/dbraw/zinc/82/02/29/585820229.db2.gz ANVNBTOTQSADTK-VIFPVBQESA-N 1 2 202.273 0.802 20 0 BCADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCF ZINC000782569803 585820230 /nfs/dbraw/zinc/82/02/30/585820230.db2.gz ANVNBTOTQSADTK-VIFPVBQESA-N 1 2 202.273 0.802 20 0 BCADLO CCOCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592754 585820486 /nfs/dbraw/zinc/82/04/86/585820486.db2.gz AZGSJTLHDCDSFE-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCOCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592754 585820487 /nfs/dbraw/zinc/82/04/87/585820487.db2.gz AZGSJTLHDCDSFE-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000782590686 585820889 /nfs/dbraw/zinc/82/08/89/585820889.db2.gz FYJMHDRSYWFGMK-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(CO)cc1 ZINC000782590686 585820890 /nfs/dbraw/zinc/82/08/90/585820890.db2.gz FYJMHDRSYWFGMK-NSHDSACASA-N 1 2 248.326 0.841 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccncc1 ZINC000782585871 585821050 /nfs/dbraw/zinc/82/10/50/585821050.db2.gz QGGHCQNPOIKGDS-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccncc1 ZINC000782585871 585821051 /nfs/dbraw/zinc/82/10/51/585821051.db2.gz QGGHCQNPOIKGDS-SNVBAGLBSA-N 1 2 219.288 0.744 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1ccccn1 ZINC000782595449 585821461 /nfs/dbraw/zinc/82/14/61/585821461.db2.gz JWBIIGFRORWFKY-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1ccccn1 ZINC000782595449 585821462 /nfs/dbraw/zinc/82/14/62/585821462.db2.gz JWBIIGFRORWFKY-NSHDSACASA-N 1 2 233.315 0.787 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782617060 585822447 /nfs/dbraw/zinc/82/24/47/585822447.db2.gz LGFNFHZAPIFOSB-CMPLNLGQSA-N 1 2 219.288 0.599 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782617060 585822448 /nfs/dbraw/zinc/82/24/48/585822448.db2.gz LGFNFHZAPIFOSB-CMPLNLGQSA-N 1 2 219.288 0.599 20 0 BCADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000782628528 585823276 /nfs/dbraw/zinc/82/32/76/585823276.db2.gz OOWYYAGGIKPBIV-KXUCPTDWSA-N 1 2 235.349 0.529 20 0 BCADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000782628528 585823277 /nfs/dbraw/zinc/82/32/77/585823277.db2.gz OOWYYAGGIKPBIV-KXUCPTDWSA-N 1 2 235.349 0.529 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782628434 585823310 /nfs/dbraw/zinc/82/33/10/585823310.db2.gz NECAWEUCGVMSLG-GUBZILKMSA-N 1 2 230.308 0.504 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782628434 585823311 /nfs/dbraw/zinc/82/33/11/585823311.db2.gz NECAWEUCGVMSLG-GUBZILKMSA-N 1 2 230.308 0.504 20 0 BCADLO CC(=O)N(C)CC(=O)OCCCn1cc[nH+]c1 ZINC000782710341 585823945 /nfs/dbraw/zinc/82/39/45/585823945.db2.gz DKFIFZLSOFUKJL-UHFFFAOYSA-N 1 2 239.275 0.295 20 0 BCADLO NC(Cc1cccc(F)c1)=[NH+]OCCO ZINC000783155089 585828713 /nfs/dbraw/zinc/82/87/13/585828713.db2.gz ALWKLMICLLSVBB-UHFFFAOYSA-N 1 2 212.224 0.859 20 0 BCADLO CC(C)(CO)C(=O)OCCCn1cc[nH+]c1 ZINC000783376284 585834038 /nfs/dbraw/zinc/83/40/38/585834038.db2.gz DITCCDFTGDUXBX-UHFFFAOYSA-N 1 2 226.276 0.835 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783735101 585841283 /nfs/dbraw/zinc/84/12/83/585841283.db2.gz YWMHJBRZLFICEP-MRVPVSSYSA-N 1 2 222.292 0.381 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783735101 585841284 /nfs/dbraw/zinc/84/12/84/585841284.db2.gz YWMHJBRZLFICEP-MRVPVSSYSA-N 1 2 222.292 0.381 20 0 BCADLO COC[C@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000783875550 585845367 /nfs/dbraw/zinc/84/53/67/585845367.db2.gz DGNPSNLSVRKNAL-NSHDSACASA-N 1 2 242.275 0.214 20 0 BCADLO C[C@H]1C[N@H+](Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC000784011780 585847074 /nfs/dbraw/zinc/84/70/74/585847074.db2.gz YRFVZZCPFPZWEL-SNVBAGLBSA-N 1 2 238.335 0.907 20 0 BCADLO C[C@H]1C[N@@H+](Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC000784011780 585847075 /nfs/dbraw/zinc/84/70/75/585847075.db2.gz YRFVZZCPFPZWEL-SNVBAGLBSA-N 1 2 238.335 0.907 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCC(=O)O1 ZINC000784248098 585853580 /nfs/dbraw/zinc/85/35/80/585853580.db2.gz AXKRVEUOKJGLOM-SECBINFHSA-N 1 2 238.243 0.522 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000784355082 585856730 /nfs/dbraw/zinc/85/67/30/585856730.db2.gz YTKHUYPHVVACJY-MNOVXSKESA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000784384632 585857399 /nfs/dbraw/zinc/85/73/99/585857399.db2.gz PXRPLILQNHQEOO-GHMZBOCLSA-N 1 2 246.326 0.817 20 0 BCADLO CC(C)[C@@H](F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000784384632 585857400 /nfs/dbraw/zinc/85/74/00/585857400.db2.gz PXRPLILQNHQEOO-GHMZBOCLSA-N 1 2 246.326 0.817 20 0 BCADLO CCNC(=O)CC(=O)OCCCn1cc[nH+]c1 ZINC000784856207 585867127 /nfs/dbraw/zinc/86/71/27/585867127.db2.gz VISBVFASDZCDCM-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO COC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784913801 585868424 /nfs/dbraw/zinc/86/84/24/585868424.db2.gz IMPYTFNXZPJMEP-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)F ZINC000784914510 585868650 /nfs/dbraw/zinc/86/86/50/585868650.db2.gz NKNNDJUKGTVKFZ-SECBINFHSA-N 1 2 233.283 0.998 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785420804 585873486 /nfs/dbraw/zinc/87/34/86/585873486.db2.gz DRHTYMYBYGNSCA-BDAKNGLRSA-N 1 2 225.292 0.996 20 0 BCADLO CO[C@@H]1CC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785505611 585874778 /nfs/dbraw/zinc/87/47/78/585874778.db2.gz HNFZOLRMWCBZRE-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785505611 585874779 /nfs/dbraw/zinc/87/47/79/585874779.db2.gz HNFZOLRMWCBZRE-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO C[N@H+](Cn1cc2[nH]cccc-2c1=O)[C@H]1CCOC1 ZINC000785505886 585875078 /nfs/dbraw/zinc/87/50/78/585875078.db2.gz MPVHEUSGIVRDRE-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO C[N@@H+](Cn1cc2[nH]cccc-2c1=O)[C@H]1CCOC1 ZINC000785505886 585875079 /nfs/dbraw/zinc/87/50/79/585875079.db2.gz MPVHEUSGIVRDRE-JTQLQIEISA-N 1 2 247.298 0.716 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCC1(O)CC1 ZINC000785518817 585875110 /nfs/dbraw/zinc/87/51/10/585875110.db2.gz VJCCPAREGVVVNY-UHFFFAOYSA-N 1 2 243.307 0.315 20 0 BCADLO CC1(C)C[NH+](CCS(C)(=O)=O)CC(C)(C)O1 ZINC000785522359 585875205 /nfs/dbraw/zinc/87/52/05/585875205.db2.gz PNWAQDXIQBMLFX-UHFFFAOYSA-N 1 2 249.376 0.920 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000785826173 585881475 /nfs/dbraw/zinc/88/14/75/585881475.db2.gz REYDMDIRYNMOPG-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000785826173 585881476 /nfs/dbraw/zinc/88/14/76/585881476.db2.gz REYDMDIRYNMOPG-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO COC/C=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000786602374 585895691 /nfs/dbraw/zinc/89/56/91/585895691.db2.gz IFXQJVZWVMQWGS-DLRQAJBASA-N 1 2 243.303 0.453 20 0 BCADLO C[C@H](O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000786839905 585897778 /nfs/dbraw/zinc/89/77/78/585897778.db2.gz AQGIXOMWYVQUBD-VIFPVBQESA-N 1 2 246.270 0.264 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000786839904 585897829 /nfs/dbraw/zinc/89/78/29/585897829.db2.gz AQGIXOMWYVQUBD-SECBINFHSA-N 1 2 246.270 0.264 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000787114666 585901373 /nfs/dbraw/zinc/90/13/73/585901373.db2.gz MAXICDOZBPPIFL-GHMZBOCLSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1ccc(NC(=O)[C@@H](C)O)c(N(C)C)[nH+]1 ZINC000787142658 585901935 /nfs/dbraw/zinc/90/19/35/585901935.db2.gz XQJIOCXFNIEYSX-MRVPVSSYSA-N 1 2 223.276 0.775 20 0 BCADLO Cc1ccc(NC(=O)[C@H](C)O)c(N(C)C)[nH+]1 ZINC000787142660 585902061 /nfs/dbraw/zinc/90/20/61/585902061.db2.gz XQJIOCXFNIEYSX-QMMMGPOBSA-N 1 2 223.276 0.775 20 0 BCADLO COC(C)(C)CC(=O)OCC[NH+]1CCOCC1 ZINC000787127360 585902077 /nfs/dbraw/zinc/90/20/77/585902077.db2.gz BBTZIMPJPPKDIF-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000787230025 585903479 /nfs/dbraw/zinc/90/34/79/585903479.db2.gz RFINXPUJXYFAPS-MXWKQRLJSA-N 1 2 244.310 0.871 20 0 BCADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000787230025 585903480 /nfs/dbraw/zinc/90/34/80/585903480.db2.gz RFINXPUJXYFAPS-MXWKQRLJSA-N 1 2 244.310 0.871 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOCC(F)F ZINC000787311462 585906499 /nfs/dbraw/zinc/90/64/99/585906499.db2.gz MMRCQTJRMZQZRZ-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOCC(F)F ZINC000787311462 585906500 /nfs/dbraw/zinc/90/65/00/585906500.db2.gz MMRCQTJRMZQZRZ-QMMMGPOBSA-N 1 2 236.262 0.431 20 0 BCADLO CC1(C)COCC[N@@H+]1CCNC(=O)C(F)F ZINC000787313924 585906704 /nfs/dbraw/zinc/90/67/04/585906704.db2.gz MQRVOMMERYZEGJ-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO CC1(C)COCC[N@H+]1CCNC(=O)C(F)F ZINC000787313924 585906705 /nfs/dbraw/zinc/90/67/05/585906705.db2.gz MQRVOMMERYZEGJ-UHFFFAOYSA-N 1 2 236.262 0.479 20 0 BCADLO C[C@@H](NC(=O)C(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000787325133 585906988 /nfs/dbraw/zinc/90/69/88/585906988.db2.gz WPRSIUNLNHCBQM-SFYZADRCSA-N 1 2 236.262 0.477 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1nonc1C ZINC000787329918 585907256 /nfs/dbraw/zinc/90/72/56/585907256.db2.gz MVFCDZSADDSWAY-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1nonc1C ZINC000787329918 585907257 /nfs/dbraw/zinc/90/72/57/585907257.db2.gz MVFCDZSADDSWAY-UHFFFAOYSA-N 1 2 243.307 0.863 20 0 BCADLO O[C@H]1C[N@H+](CCC2OCCO2)CC(F)(F)C1 ZINC000787360685 585907760 /nfs/dbraw/zinc/90/77/60/585907760.db2.gz LQCUXSZQSVODPR-MRVPVSSYSA-N 1 2 237.246 0.451 20 0 BCADLO O[C@H]1C[N@@H+](CCC2OCCO2)CC(F)(F)C1 ZINC000787360685 585907761 /nfs/dbraw/zinc/90/77/61/585907761.db2.gz LQCUXSZQSVODPR-MRVPVSSYSA-N 1 2 237.246 0.451 20 0 BCADLO Cn1ncc2c1nc[nH+]c2SC1COC1 ZINC000787492228 585910283 /nfs/dbraw/zinc/91/02/83/585910283.db2.gz YIXAOKNEGWRJDP-UHFFFAOYSA-N 1 2 222.273 0.854 20 0 BCADLO Nc1cc(COC(=O)c2nccnc2N)cc[nH+]1 ZINC000787586473 585912428 /nfs/dbraw/zinc/91/24/28/585912428.db2.gz TZPYHFVOAPNEGT-UHFFFAOYSA-N 1 2 245.242 0.393 20 0 BCADLO Cn1cc(C[N@H+](C)CC[S@@](C)=O)cn1 ZINC000787688025 585914100 /nfs/dbraw/zinc/91/41/00/585914100.db2.gz MYMWDFABGLNADG-CQSZACIVSA-N 1 2 215.322 0.230 20 0 BCADLO Cn1cc(C[N@@H+](C)CC[S@@](C)=O)cn1 ZINC000787688025 585914101 /nfs/dbraw/zinc/91/41/01/585914101.db2.gz MYMWDFABGLNADG-CQSZACIVSA-N 1 2 215.322 0.230 20 0 BCADLO c1nn[nH]c1C[NH+]1CCC2(CC1)OCCO2 ZINC000787708017 585914178 /nfs/dbraw/zinc/91/41/78/585914178.db2.gz HXLUFGSCEHPXAY-UHFFFAOYSA-N 1 2 224.264 0.144 20 0 BCADLO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000788292316 585921098 /nfs/dbraw/zinc/92/10/98/585921098.db2.gz ZFXMNTJRZZLJGP-RNFRBKRXSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000788292316 585921099 /nfs/dbraw/zinc/92/10/99/585921099.db2.gz ZFXMNTJRZZLJGP-RNFRBKRXSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292316 585921100 /nfs/dbraw/zinc/92/11/00/585921100.db2.gz ZFXMNTJRZZLJGP-RNFRBKRXSA-N 1 2 242.216 0.955 20 0 BCADLO C[N@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC000788292316 585921101 /nfs/dbraw/zinc/92/11/01/585921101.db2.gz ZFXMNTJRZZLJGP-RNFRBKRXSA-N 1 2 242.216 0.955 20 0 BCADLO CC(=O)OCCC[S@](=O)Cc1[nH+]ccn1C ZINC000788400797 585922579 /nfs/dbraw/zinc/92/25/79/585922579.db2.gz VAOLLGZLGYDGSC-INIZCTEOSA-N 1 2 244.316 0.622 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000788539670 585926580 /nfs/dbraw/zinc/92/65/80/585926580.db2.gz SMGSSZUZKYHASL-ZJUUUORDSA-N 1 2 245.282 0.930 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000788648203 585928363 /nfs/dbraw/zinc/92/83/63/585928363.db2.gz IHDUDJMGNNFEDF-QMMMGPOBSA-N 1 2 239.275 0.030 20 0 BCADLO NC(=[NH+]OCC1OCCO1)[C@H]1CCCO1 ZINC000789606990 585944166 /nfs/dbraw/zinc/94/41/66/585944166.db2.gz AWTGQXRAEXRPFF-SSDOTTSWSA-N 1 2 216.237 0.037 20 0 BCADLO Cn1cc(CCO[NH+]=C(N)[C@@H]2CCCO2)cn1 ZINC000789610446 585946576 /nfs/dbraw/zinc/94/65/76/585946576.db2.gz OSQNKVWFPNJFRG-JTQLQIEISA-N 1 2 238.291 0.640 20 0 BCADLO NC(=[NH+]OCCC1OCCO1)[C@H]1CCCO1 ZINC000789610946 585946588 /nfs/dbraw/zinc/94/65/88/585946588.db2.gz NHQCNUNBOLTPAM-MRVPVSSYSA-N 1 2 230.264 0.427 20 0 BCADLO CC1(CO[NH+]=C(N)[C@@H]2CCCO2)COC1 ZINC000789610442 585946648 /nfs/dbraw/zinc/94/66/48/585946648.db2.gz OQZOQAZGBPQNAL-QMMMGPOBSA-N 1 2 214.265 0.700 20 0 BCADLO CCN(CC)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613352 585946797 /nfs/dbraw/zinc/94/67/97/585946797.db2.gz WMCFQDNBVRQMKN-SECBINFHSA-N 1 2 243.307 0.532 20 0 BCADLO CN1CCC[C@@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000789625997 585947254 /nfs/dbraw/zinc/94/72/54/585947254.db2.gz BODDERPXEZDGPB-DTWKUNHWSA-N 1 2 241.291 0.285 20 0 BCADLO CCc1nnc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789626799 585947322 /nfs/dbraw/zinc/94/73/22/585947322.db2.gz IRBOKMHBLWIIDL-ZETCQYMHSA-N 1 2 240.263 0.809 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1c[nH]nc1C1CC1 ZINC000789736828 585949318 /nfs/dbraw/zinc/94/93/18/585949318.db2.gz AMQKKUNPNWIZEU-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO CCOCC(=O)OCCc1c[nH+]cn1C ZINC000789770835 585949466 /nfs/dbraw/zinc/94/94/66/585949466.db2.gz DFKQLHXUBIIYHM-UHFFFAOYSA-N 1 2 212.249 0.542 20 0 BCADLO Cn1ccc(CC(=O)OCCc2c[nH+]cn2C)n1 ZINC000789776637 585949850 /nfs/dbraw/zinc/94/98/50/585949850.db2.gz KDSYPXDMNBUNAT-UHFFFAOYSA-N 1 2 248.286 0.482 20 0 BCADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cn[nH]n1 ZINC000789926309 585953530 /nfs/dbraw/zinc/95/35/30/585953530.db2.gz RPGTUORKFGCVIU-UHFFFAOYSA-N 1 2 242.242 0.634 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000790010153 585956045 /nfs/dbraw/zinc/95/60/45/585956045.db2.gz NBMWSVIWQSCGQY-YUMQZZPRSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000790010153 585956046 /nfs/dbraw/zinc/95/60/46/585956046.db2.gz NBMWSVIWQSCGQY-YUMQZZPRSA-N 1 2 237.307 0.278 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000790451580 585964940 /nfs/dbraw/zinc/96/49/40/585964940.db2.gz NMBRCIAPKSIMJH-JTQLQIEISA-N 1 2 229.320 0.888 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000790451580 585964941 /nfs/dbraw/zinc/96/49/41/585964941.db2.gz NMBRCIAPKSIMJH-JTQLQIEISA-N 1 2 229.320 0.888 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1ncccn1 ZINC000790502505 585965830 /nfs/dbraw/zinc/96/58/30/585965830.db2.gz BWVMGSDINPYNNE-SSDOTTSWSA-N 1 2 210.237 0.510 20 0 BCADLO COC/C=C/C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000791314745 585977078 /nfs/dbraw/zinc/97/70/78/585977078.db2.gz CWEFUFNEVBUXSL-SNAWJCMRSA-N 1 2 249.314 0.966 20 0 BCADLO CON(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791551451 585983768 /nfs/dbraw/zinc/98/37/68/585983768.db2.gz AFNAAIBJALEWLF-MWLCHTKSSA-N 1 2 242.319 0.506 20 0 BCADLO CON(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791551451 585983769 /nfs/dbraw/zinc/98/37/69/585983769.db2.gz AFNAAIBJALEWLF-MWLCHTKSSA-N 1 2 242.319 0.506 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@H](C2CC2)O1 ZINC000791552747 585983846 /nfs/dbraw/zinc/98/38/46/585983846.db2.gz KETJWOSPIFUHHV-GXSJLCMTSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@H](C2CC2)O1 ZINC000791552747 585983847 /nfs/dbraw/zinc/98/38/47/585983847.db2.gz KETJWOSPIFUHHV-GXSJLCMTSA-N 1 2 227.304 0.859 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@H+](CCF)CCO2 ZINC000791585713 585985017 /nfs/dbraw/zinc/98/50/17/585985017.db2.gz PDSSMLSJLZQUIU-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO C[C@@H]1OCC[C@]12C[N@@H+](CCF)CCO2 ZINC000791585713 585985018 /nfs/dbraw/zinc/98/50/18/585985018.db2.gz PDSSMLSJLZQUIU-UWVGGRQHSA-N 1 2 203.257 0.836 20 0 BCADLO Nc1cc(COC(=O)CNC(=O)C2CC2)cc[nH+]1 ZINC000791704101 585986416 /nfs/dbraw/zinc/98/64/16/585986416.db2.gz SAKZAIBGRODBOS-UHFFFAOYSA-N 1 2 249.270 0.233 20 0 BCADLO COCCOCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791736092 585986844 /nfs/dbraw/zinc/98/68/44/585986844.db2.gz DSEMYSZHZLKWPX-UHFFFAOYSA-N 1 2 240.259 0.370 20 0 BCADLO C[C@H](O)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000792052070 585994912 /nfs/dbraw/zinc/99/49/12/585994912.db2.gz ZAAXQJJFMILBAY-IUCAKERBSA-N 1 2 233.333 0.348 20 0 BCADLO Nc1cc(COC(=O)c2cncnc2)cc[nH+]1 ZINC000792128271 585996208 /nfs/dbraw/zinc/99/62/08/585996208.db2.gz BUBGLABSLVPJDE-UHFFFAOYSA-N 1 2 230.227 0.811 20 0 BCADLO CC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000792395713 586000246 /nfs/dbraw/zinc/00/02/46/586000246.db2.gz XNOALHICORKTKT-UWVGGRQHSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792395704 586000308 /nfs/dbraw/zinc/00/03/08/586000308.db2.gz XNOALHICORKTKT-MSRIBSCDSA-N 1 2 217.334 0.807 20 0 BCADLO CC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792395704 586000309 /nfs/dbraw/zinc/00/03/09/586000309.db2.gz XNOALHICORKTKT-MSRIBSCDSA-N 1 2 217.334 0.807 20 0 BCADLO CO[C@@H]1C[N@H+](Cn2cc[nH]c2=S)C[C@@H]1OC ZINC000792713986 586004212 /nfs/dbraw/zinc/00/42/12/586004212.db2.gz QBQXOPBKIHYDRG-DTORHVGOSA-N 1 2 243.332 0.475 20 0 BCADLO CO[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)C[C@@H]1OC ZINC000792713986 586004213 /nfs/dbraw/zinc/00/42/13/586004213.db2.gz QBQXOPBKIHYDRG-DTORHVGOSA-N 1 2 243.332 0.475 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793257437 586015332 /nfs/dbraw/zinc/01/53/32/586015332.db2.gz HHNZMSPWXXRQSK-GHMZBOCLSA-N 1 2 238.287 0.931 20 0 BCADLO COCCONC(=O)CCc1c[nH+]c[nH]1 ZINC000793616577 586024248 /nfs/dbraw/zinc/02/42/48/586024248.db2.gz UPDGCGQRVDUMIZ-UHFFFAOYSA-N 1 2 213.237 0.037 20 0 BCADLO COCCONC(=O)CCc1c[nH]c[nH+]1 ZINC000793616577 586024249 /nfs/dbraw/zinc/02/42/49/586024249.db2.gz UPDGCGQRVDUMIZ-UHFFFAOYSA-N 1 2 213.237 0.037 20 0 BCADLO NC(=[NH+]OC[C@H]1CCCO1)[C@H]1CCCO1 ZINC000794519518 586041555 /nfs/dbraw/zinc/04/15/55/586041555.db2.gz DTQBJZSWXYBSEG-RKDXNWHRSA-N 1 2 214.265 0.843 20 0 BCADLO NC(=[NH+]OC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000794519512 586041590 /nfs/dbraw/zinc/04/15/90/586041590.db2.gz DTQBJZSWXYBSEG-DTWKUNHWSA-N 1 2 214.265 0.843 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cnnc1)CCO2 ZINC000794669757 586046419 /nfs/dbraw/zinc/04/64/19/586046419.db2.gz TYTAKZJCGGYWQZ-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1cnnc1)CCO2 ZINC000794669757 586046420 /nfs/dbraw/zinc/04/64/20/586046420.db2.gz TYTAKZJCGGYWQZ-GHMZBOCLSA-N 1 2 238.291 0.115 20 0 BCADLO Cn1cc(CC[N@@H+]2Cc3cccnc3C2)nn1 ZINC000859291450 589028482 /nfs/dbraw/zinc/02/84/82/589028482.db2.gz VTUGMMCZTMBVSL-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cn1cc(CC[N@H+]2Cc3cccnc3C2)nn1 ZINC000859291450 589028484 /nfs/dbraw/zinc/02/84/84/589028484.db2.gz VTUGMMCZTMBVSL-UHFFFAOYSA-N 1 2 229.287 0.768 20 0 BCADLO Cc1ncc(CO[NH+]=C(N)CCO)cn1 ZINC000795215479 586072523 /nfs/dbraw/zinc/07/25/23/586072523.db2.gz AHYSBGSKSBCPGQ-UHFFFAOYSA-N 1 2 210.237 0.166 20 0 BCADLO Cc1ncc(CO[NH+]=C(N)[C@@H]2CCCO2)cn1 ZINC000795228807 586072832 /nfs/dbraw/zinc/07/28/32/586072832.db2.gz CDIOWGIHYWNXNL-JTQLQIEISA-N 1 2 236.275 0.962 20 0 BCADLO Cc1nnc(COC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC000795417985 586078058 /nfs/dbraw/zinc/07/80/58/586078058.db2.gz PPZWZINGEOLWKG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC000795417985 586078060 /nfs/dbraw/zinc/07/80/60/586078060.db2.gz PPZWZINGEOLWKG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@H+]2C)n[nH]1 ZINC000795417985 586078062 /nfs/dbraw/zinc/07/80/62/586078062.db2.gz PPZWZINGEOLWKG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000795417985 586078064 /nfs/dbraw/zinc/07/80/64/586078064.db2.gz PPZWZINGEOLWKG-VIFPVBQESA-N 1 2 238.291 0.641 20 0 BCADLO CO[C@@H]1CC[N@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795441115 586079155 /nfs/dbraw/zinc/07/91/55/586079155.db2.gz VRNLRECUKIXCJN-RKDXNWHRSA-N 1 2 248.273 0.778 20 0 BCADLO CO[C@@H]1CC[N@@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795441115 586079157 /nfs/dbraw/zinc/07/91/57/586079157.db2.gz VRNLRECUKIXCJN-RKDXNWHRSA-N 1 2 248.273 0.778 20 0 BCADLO COC(=O)/C(C)=C/CN1CCc2[nH+]c[nH]c2C1 ZINC000859307967 589029431 /nfs/dbraw/zinc/02/94/31/589029431.db2.gz CSYSXJIDZQMKNP-YCRREMRBSA-N 1 2 235.287 0.887 20 0 BCADLO c1nonc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859306252 589029761 /nfs/dbraw/zinc/02/97/61/589029761.db2.gz TZOZSCVAVZMCJB-UHFFFAOYSA-N 1 2 205.221 0.351 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)[C@H]1CC(C)(C)OC1=O ZINC000795682507 586090405 /nfs/dbraw/zinc/09/04/05/586090405.db2.gz AOFOKIDWGBXGQD-VIFPVBQESA-N 1 2 223.276 0.936 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)[C@H]1CC(C)(C)OC1=O ZINC000795682507 586090406 /nfs/dbraw/zinc/09/04/06/586090406.db2.gz AOFOKIDWGBXGQD-VIFPVBQESA-N 1 2 223.276 0.936 20 0 BCADLO C[N@H+](CCn1cccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795663023 586090615 /nfs/dbraw/zinc/09/06/15/586090615.db2.gz WPYDBZCLKWCXJN-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795663023 586090616 /nfs/dbraw/zinc/09/06/16/586090616.db2.gz WPYDBZCLKWCXJN-SNVBAGLBSA-N 1 2 237.303 0.909 20 0 BCADLO CO[C@H](C)C[N@H+](C)Cn1ccsc1=O ZINC000795747475 586091464 /nfs/dbraw/zinc/09/14/64/586091464.db2.gz BAQUWBBZVQDREY-MRVPVSSYSA-N 1 2 216.306 0.834 20 0 BCADLO CO[C@H](C)C[N@@H+](C)Cn1ccsc1=O ZINC000795747475 586091465 /nfs/dbraw/zinc/09/14/65/586091465.db2.gz BAQUWBBZVQDREY-MRVPVSSYSA-N 1 2 216.306 0.834 20 0 BCADLO CC[C@@H]1C[N@H+](CC(OC)OC)C[C@@H](C)[S@@]1=O ZINC000796368736 586101687 /nfs/dbraw/zinc/10/16/87/586101687.db2.gz WQIRXYDWMCCAFZ-LYGAQUJYSA-N 1 2 249.376 0.837 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(OC)OC)C[C@@H](C)[S@@]1=O ZINC000796368736 586101688 /nfs/dbraw/zinc/10/16/88/586101688.db2.gz WQIRXYDWMCCAFZ-LYGAQUJYSA-N 1 2 249.376 0.837 20 0 BCADLO Cc1c(CC(=O)OCc2c[nH+]cn2C)cnn1C ZINC000796943156 586117555 /nfs/dbraw/zinc/11/75/55/586117555.db2.gz QRGXWAAVCMFNSW-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO CC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000798194172 586139489 /nfs/dbraw/zinc/13/94/89/586139489.db2.gz WCWUVUBVASHWPT-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000798194172 586139490 /nfs/dbraw/zinc/13/94/90/586139490.db2.gz WCWUVUBVASHWPT-TVQRCGJNSA-N 1 2 205.323 0.476 20 0 BCADLO C[S@](=O)CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000798196221 586139931 /nfs/dbraw/zinc/13/99/31/586139931.db2.gz ISBHYSLPSUXVGE-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@](=O)CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000798196221 586139932 /nfs/dbraw/zinc/13/99/32/586139932.db2.gz ISBHYSLPSUXVGE-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCOCC12CCC2 ZINC000798198086 586140301 /nfs/dbraw/zinc/14/03/01/586140301.db2.gz YQZXSYDLNLWGNA-CQSZACIVSA-N 1 2 217.334 0.620 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCOCC12CCC2 ZINC000798198086 586140302 /nfs/dbraw/zinc/14/03/02/586140302.db2.gz YQZXSYDLNLWGNA-CQSZACIVSA-N 1 2 217.334 0.620 20 0 BCADLO CC(C)[C@@H](C(=O)OCCc1c[nH]nn1)[NH+](C)C ZINC000798833936 586150547 /nfs/dbraw/zinc/15/05/47/586150547.db2.gz PWOOXDLQFLOCME-JTQLQIEISA-N 1 2 240.307 0.477 20 0 BCADLO CC(C)[C@@H](C(=O)OCCc1cnn[nH]1)[NH+](C)C ZINC000798833936 586150548 /nfs/dbraw/zinc/15/05/48/586150548.db2.gz PWOOXDLQFLOCME-JTQLQIEISA-N 1 2 240.307 0.477 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H](C)O1 ZINC000799121591 586158736 /nfs/dbraw/zinc/15/87/36/586158736.db2.gz APBRGWBYBIUNJN-AEJSXWLSSA-N 1 2 240.303 0.291 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H](C)O1 ZINC000799121591 586158738 /nfs/dbraw/zinc/15/87/38/586158738.db2.gz APBRGWBYBIUNJN-AEJSXWLSSA-N 1 2 240.303 0.291 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000799125571 586159981 /nfs/dbraw/zinc/15/99/81/586159981.db2.gz PNEXEYSWIWEATE-DTORHVGOSA-N 1 2 243.694 0.058 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000799125571 586159982 /nfs/dbraw/zinc/15/99/82/586159982.db2.gz PNEXEYSWIWEATE-DTORHVGOSA-N 1 2 243.694 0.058 20 0 BCADLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC1OCCO1 ZINC000799169689 586161014 /nfs/dbraw/zinc/16/10/14/586161014.db2.gz NOIKRRPZLHCDJF-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO CC[C@@H](C)[N@H+](CC(=O)OC)CC1OCCO1 ZINC000799169689 586161015 /nfs/dbraw/zinc/16/10/15/586161015.db2.gz NOIKRRPZLHCDJF-SECBINFHSA-N 1 2 231.292 0.633 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000799167388 586164087 /nfs/dbraw/zinc/16/40/87/586164087.db2.gz UJIUDZJNUQCGJN-KCJUWKMLSA-N 1 2 239.706 0.944 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000799167388 586164088 /nfs/dbraw/zinc/16/40/88/586164088.db2.gz UJIUDZJNUQCGJN-KCJUWKMLSA-N 1 2 239.706 0.944 20 0 BCADLO CC[N@@H+](CC(N)=O)C[C@H](O)c1ccc(F)cn1 ZINC000799323734 586171829 /nfs/dbraw/zinc/17/18/29/586171829.db2.gz ZPQGGWGIOZALTB-JTQLQIEISA-N 1 2 241.266 0.061 20 0 BCADLO CC[N@H+](CC(N)=O)C[C@H](O)c1ccc(F)cn1 ZINC000799323734 586171830 /nfs/dbraw/zinc/17/18/30/586171830.db2.gz ZPQGGWGIOZALTB-JTQLQIEISA-N 1 2 241.266 0.061 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)OCCCF ZINC000859335422 589032356 /nfs/dbraw/zinc/03/23/56/589032356.db2.gz WWNJZMZOAKKKHX-SECBINFHSA-N 1 2 234.271 0.403 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)OCCCF ZINC000859335422 589032357 /nfs/dbraw/zinc/03/23/57/589032357.db2.gz WWNJZMZOAKKKHX-SECBINFHSA-N 1 2 234.271 0.403 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)OC1CCCC1 ZINC000859336582 589032417 /nfs/dbraw/zinc/03/24/17/589032417.db2.gz QWKJNFKMDOIVOH-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)OC1CCCC1 ZINC000859336582 589032419 /nfs/dbraw/zinc/03/24/19/589032419.db2.gz QWKJNFKMDOIVOH-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1COC(=O)N1 ZINC000859382116 589034806 /nfs/dbraw/zinc/03/48/06/589034806.db2.gz CCLFBFWLQOCEJF-VIFPVBQESA-N 1 2 235.243 0.113 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000800379469 586214241 /nfs/dbraw/zinc/21/42/41/586214241.db2.gz SPWSLMNEVQPRCL-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000800379469 586214242 /nfs/dbraw/zinc/21/42/42/586214242.db2.gz SPWSLMNEVQPRCL-NSHDSACASA-N 1 2 228.336 0.822 20 0 BCADLO Cl/C=C\C[NH+]1CCN(c2nccnn2)CC1 ZINC000859406563 589035224 /nfs/dbraw/zinc/03/52/24/589035224.db2.gz QHOLWVSKFALIBX-UPHRSURJSA-N 1 2 239.710 0.746 20 0 BCADLO CC(=O)CCC(=O)OCc1c[nH+]cn1C ZINC000800395516 586216584 /nfs/dbraw/zinc/21/65/84/586216584.db2.gz VIDKOXNTIBJOPE-UHFFFAOYSA-N 1 2 210.233 0.833 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)CCOCCO ZINC000800507440 586223923 /nfs/dbraw/zinc/22/39/23/586223923.db2.gz QCKKTHIUTYEWJR-UHFFFAOYSA-N 1 2 233.308 0.126 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)CCOCCO ZINC000800507440 586223924 /nfs/dbraw/zinc/22/39/24/586223924.db2.gz QCKKTHIUTYEWJR-UHFFFAOYSA-N 1 2 233.308 0.126 20 0 BCADLO O[C@H]1C[NH+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000859455169 589038803 /nfs/dbraw/zinc/03/88/03/589038803.db2.gz XPBIMSOFZCPAQL-IUCAKERBSA-N 1 2 246.669 0.412 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559584 586262531 /nfs/dbraw/zinc/26/25/31/586262531.db2.gz CJXCQKUMHCGXOF-SFYZADRCSA-N 1 2 209.236 0.987 20 0 BCADLO CO[C@H](C)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559584 586262534 /nfs/dbraw/zinc/26/25/34/586262534.db2.gz CJXCQKUMHCGXOF-SFYZADRCSA-N 1 2 209.236 0.987 20 0 BCADLO COCCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801564759 586263255 /nfs/dbraw/zinc/26/32/55/586263255.db2.gz TYLIWGJDUFCLRX-VIFPVBQESA-N 1 2 239.262 0.615 20 0 BCADLO COCCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801564759 586263256 /nfs/dbraw/zinc/26/32/56/586263256.db2.gz TYLIWGJDUFCLRX-VIFPVBQESA-N 1 2 239.262 0.615 20 0 BCADLO CN1CCC[C@@H]([N@@H+]2CCO[C@H](C(F)F)C2)C1=O ZINC000801565344 586263327 /nfs/dbraw/zinc/26/33/27/586263327.db2.gz BQSMDEJUHYFKGF-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO CN1CCC[C@@H]([N@H+]2CCO[C@H](C(F)F)C2)C1=O ZINC000801565344 586263329 /nfs/dbraw/zinc/26/33/29/586263329.db2.gz BQSMDEJUHYFKGF-BDAKNGLRSA-N 1 2 248.273 0.573 20 0 BCADLO CSC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563904 586263367 /nfs/dbraw/zinc/26/33/67/586263367.db2.gz VBKMVYGYXHFRQA-HTQZYQBOSA-N 1 2 241.303 0.676 20 0 BCADLO CSC[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563904 586263368 /nfs/dbraw/zinc/26/33/68/586263368.db2.gz VBKMVYGYXHFRQA-HTQZYQBOSA-N 1 2 241.303 0.676 20 0 BCADLO CCC[N@H+](CCF)[C@@H]1CC(=O)N(C)C1=O ZINC000801586265 586265236 /nfs/dbraw/zinc/26/52/36/586265236.db2.gz NADIAUZFVIMRHN-MRVPVSSYSA-N 1 2 216.256 0.425 20 0 BCADLO CCC[N@@H+](CCF)[C@@H]1CC(=O)N(C)C1=O ZINC000801586265 586265238 /nfs/dbraw/zinc/26/52/38/586265238.db2.gz NADIAUZFVIMRHN-MRVPVSSYSA-N 1 2 216.256 0.425 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944347 586281623 /nfs/dbraw/zinc/28/16/23/586281623.db2.gz UACOHMVBVRKIKF-UWVGGRQHSA-N 1 2 237.299 0.993 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCC1=O ZINC000801944347 586281624 /nfs/dbraw/zinc/28/16/24/586281624.db2.gz UACOHMVBVRKIKF-UWVGGRQHSA-N 1 2 237.299 0.993 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801988401 586284948 /nfs/dbraw/zinc/28/49/48/586284948.db2.gz YONJJPILSMWIPM-BQBZGAKWSA-N 1 2 221.203 0.615 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801988401 586284952 /nfs/dbraw/zinc/28/49/52/586284952.db2.gz YONJJPILSMWIPM-BQBZGAKWSA-N 1 2 221.203 0.615 20 0 BCADLO CC(=O)CCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802230983 586297521 /nfs/dbraw/zinc/29/75/21/586297521.db2.gz UVHWDWRBNRTDRR-JTQLQIEISA-N 1 2 231.267 0.943 20 0 BCADLO CC(=O)CCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802230983 586297523 /nfs/dbraw/zinc/29/75/23/586297523.db2.gz UVHWDWRBNRTDRR-JTQLQIEISA-N 1 2 231.267 0.943 20 0 BCADLO COC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231659 586298037 /nfs/dbraw/zinc/29/80/37/586298037.db2.gz KKIGMBRBOHEBGN-VIFPVBQESA-N 1 2 233.283 0.998 20 0 BCADLO COC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231659 586298040 /nfs/dbraw/zinc/29/80/40/586298040.db2.gz KKIGMBRBOHEBGN-VIFPVBQESA-N 1 2 233.283 0.998 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cocn1 ZINC000802232809 586298096 /nfs/dbraw/zinc/29/80/96/586298096.db2.gz FFXJFUNZJFIFQP-MRVPVSSYSA-N 1 2 228.223 0.875 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cocn1 ZINC000802232809 586298098 /nfs/dbraw/zinc/29/80/98/586298098.db2.gz FFXJFUNZJFIFQP-MRVPVSSYSA-N 1 2 228.223 0.875 20 0 BCADLO CO[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802242564 586299271 /nfs/dbraw/zinc/29/92/71/586299271.db2.gz LRRLISHDOGJYKD-GHMZBOCLSA-N 1 2 245.294 0.998 20 0 BCADLO CO[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802242564 586299272 /nfs/dbraw/zinc/29/92/72/586299272.db2.gz LRRLISHDOGJYKD-GHMZBOCLSA-N 1 2 245.294 0.998 20 0 BCADLO C[N@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@@H]1CCOC1 ZINC000839994717 586337033 /nfs/dbraw/zinc/33/70/33/586337033.db2.gz QMVZCPQTEBMVGX-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO C[N@@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@@H]1CCOC1 ZINC000839994717 586337035 /nfs/dbraw/zinc/33/70/35/586337035.db2.gz QMVZCPQTEBMVGX-MXWKQRLJSA-N 1 2 224.304 0.676 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cn[nH]c1 ZINC000803362092 586347027 /nfs/dbraw/zinc/34/70/27/586347027.db2.gz UZUMEJAIDWQSLH-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cn[nH]c1 ZINC000803362092 586347030 /nfs/dbraw/zinc/34/70/30/586347030.db2.gz UZUMEJAIDWQSLH-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CC[S@@](=O)CC(=O)OCCn1cc[nH+]c1 ZINC000803472679 586359493 /nfs/dbraw/zinc/35/94/93/586359493.db2.gz GXVVTZQZWLGIPB-OAHLLOKOSA-N 1 2 230.289 0.195 20 0 BCADLO CC[S@](=O)CC(=O)OCCn1cc[nH+]c1 ZINC000803472677 586359737 /nfs/dbraw/zinc/35/97/37/586359737.db2.gz GXVVTZQZWLGIPB-HNNXBMFYSA-N 1 2 230.289 0.195 20 0 BCADLO COCCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803498517 586361668 /nfs/dbraw/zinc/36/16/68/586361668.db2.gz RZQVMVKPMDMVAQ-LLVKDONJSA-N 1 2 245.319 0.721 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[C@H]21 ZINC000804293135 586388131 /nfs/dbraw/zinc/38/81/31/586388131.db2.gz DXVFEBZTZSCJMI-VHSXEESVSA-N 1 2 205.261 0.894 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=COCCO1 ZINC000804335132 586391040 /nfs/dbraw/zinc/39/10/40/586391040.db2.gz RNHCXFNGKDCFRL-VIFPVBQESA-N 1 2 249.270 0.202 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ncccn1 ZINC000804335521 586391694 /nfs/dbraw/zinc/39/16/94/586391694.db2.gz AUIBJTAUVXWBES-SECBINFHSA-N 1 2 243.270 0.418 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2[nH]nnc2C)[C@H](C)C1 ZINC000804378866 586393759 /nfs/dbraw/zinc/39/37/59/586393759.db2.gz CQZWJORFLUHQIC-MRVPVSSYSA-N 1 2 237.307 0.279 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2[nH]nnc2C)[C@H](C)C1 ZINC000804378866 586393762 /nfs/dbraw/zinc/39/37/62/586393762.db2.gz CQZWJORFLUHQIC-MRVPVSSYSA-N 1 2 237.307 0.279 20 0 BCADLO Cn1cc[nH+]c1[C@H](NCc1cnn(C)n1)C1CC1 ZINC000806165985 586406660 /nfs/dbraw/zinc/40/66/60/586406660.db2.gz NPSLQMJHTXIITB-LLVKDONJSA-N 1 2 246.318 0.790 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806553906 586413756 /nfs/dbraw/zinc/41/37/56/586413756.db2.gz CAAIRRJZKICAQM-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)OC(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000806793890 586418429 /nfs/dbraw/zinc/41/84/29/586418429.db2.gz VZPRZTSVAJGLDB-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO O=C(COCc1cccnc1)NCc1c[nH+]c[nH]1 ZINC000806897107 586420245 /nfs/dbraw/zinc/42/02/45/586420245.db2.gz FMTCJWFPWKHDFA-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO O=C(COCc1cccnc1)NCc1c[nH]c[nH+]1 ZINC000806897107 586420247 /nfs/dbraw/zinc/42/02/47/586420247.db2.gz FMTCJWFPWKHDFA-UHFFFAOYSA-N 1 2 246.270 0.638 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CCSC1=S ZINC000840082997 586423194 /nfs/dbraw/zinc/42/31/94/586423194.db2.gz JPXMSUYNGRQEIF-MRVPVSSYSA-N 1 2 232.374 0.998 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CCSC1=S ZINC000840082997 586423197 /nfs/dbraw/zinc/42/31/97/586423197.db2.gz JPXMSUYNGRQEIF-MRVPVSSYSA-N 1 2 232.374 0.998 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CC(C)(C)CC1=O ZINC000840082880 586423293 /nfs/dbraw/zinc/42/32/93/586423293.db2.gz HSRZCGJEQKVZQF-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CC(C)(C)CC1=O ZINC000840082880 586423294 /nfs/dbraw/zinc/42/32/94/586423294.db2.gz HSRZCGJEQKVZQF-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO CC[NH2+]Cc1noc(CCc2cnn(C)c2)n1 ZINC000843145633 586445707 /nfs/dbraw/zinc/44/57/07/586445707.db2.gz PCSVQROXCULZPA-UHFFFAOYSA-N 1 2 235.291 0.698 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000840102578 586446550 /nfs/dbraw/zinc/44/65/50/586446550.db2.gz SIOCKYISNZYHEK-IUCAKERBSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000840102578 586446551 /nfs/dbraw/zinc/44/65/51/586446551.db2.gz SIOCKYISNZYHEK-IUCAKERBSA-N 1 2 200.257 0.856 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163455 586465878 /nfs/dbraw/zinc/46/58/78/586465878.db2.gz LSXBJNXKCRNATH-BDAKNGLRSA-N 1 2 237.307 0.463 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808163455 586465879 /nfs/dbraw/zinc/46/58/79/586465879.db2.gz LSXBJNXKCRNATH-BDAKNGLRSA-N 1 2 237.307 0.463 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3[nH]cnc3c2)n1 ZINC000808417179 586471956 /nfs/dbraw/zinc/47/19/56/586471956.db2.gz YOKYXMMFUCQVOE-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3nc[nH]c3c2)n1 ZINC000808417179 586471957 /nfs/dbraw/zinc/47/19/57/586471957.db2.gz YOKYXMMFUCQVOE-UHFFFAOYSA-N 1 2 242.286 0.981 20 0 BCADLO Cc1nc(F)ccc1C[NH2+]Cc1cnn(C)n1 ZINC000808418605 586471999 /nfs/dbraw/zinc/47/19/99/586471999.db2.gz XUMIJFZITGTMSR-UHFFFAOYSA-N 1 2 235.266 0.947 20 0 BCADLO CC[NH+]1CCN(C(=O)C(C)(F)F)CC1 ZINC000808454964 586472652 /nfs/dbraw/zinc/47/26/52/586472652.db2.gz RULAYWNEQHNKPW-UHFFFAOYSA-N 1 2 206.236 0.806 20 0 BCADLO CC(C)C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000808706349 586483116 /nfs/dbraw/zinc/48/31/16/586483116.db2.gz HTFNTONHGSYGDP-SNVBAGLBSA-N 1 2 247.360 0.721 20 0 BCADLO CC(C)C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000808706349 586483118 /nfs/dbraw/zinc/48/31/18/586483118.db2.gz HTFNTONHGSYGDP-SNVBAGLBSA-N 1 2 247.360 0.721 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)C ZINC000808729349 586485200 /nfs/dbraw/zinc/48/52/00/586485200.db2.gz YQMSTTWOXWWLTE-SNVBAGLBSA-N 1 2 226.320 0.812 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)C ZINC000808729349 586485201 /nfs/dbraw/zinc/48/52/01/586485201.db2.gz YQMSTTWOXWWLTE-SNVBAGLBSA-N 1 2 226.320 0.812 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000808748744 586487376 /nfs/dbraw/zinc/48/73/76/586487376.db2.gz ZRCYNXWZOVIACP-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000808748744 586487377 /nfs/dbraw/zinc/48/73/77/586487377.db2.gz ZRCYNXWZOVIACP-JTQLQIEISA-N 1 2 226.320 0.764 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)C(C)C ZINC000808750016 586488325 /nfs/dbraw/zinc/48/83/25/586488325.db2.gz IKWZLFKPFLHASM-VHSXEESVSA-N 1 2 243.303 0.210 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)C(C)C ZINC000808750016 586488326 /nfs/dbraw/zinc/48/83/26/586488326.db2.gz IKWZLFKPFLHASM-VHSXEESVSA-N 1 2 243.303 0.210 20 0 BCADLO CC[C@@H](O)C[NH+]1CC(OC(=O)NC(C)C)C1 ZINC000809213394 586501554 /nfs/dbraw/zinc/50/15/54/586501554.db2.gz XRKLHMLENDBPLO-SECBINFHSA-N 1 2 230.308 0.576 20 0 BCADLO CCS(=O)(=O)CC[NH+]1CC(C)(CCOC)C1 ZINC000809215390 586501558 /nfs/dbraw/zinc/50/15/58/586501558.db2.gz TVTIFDQITBHTJN-UHFFFAOYSA-N 1 2 249.376 0.780 20 0 BCADLO COCCC1(C)C[NH+](CCS(C)(=O)=O)C1 ZINC000809214442 586501697 /nfs/dbraw/zinc/50/16/97/586501697.db2.gz DDWOCLBSZMTYGQ-UHFFFAOYSA-N 1 2 235.349 0.389 20 0 BCADLO Cc1nonc1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000809744432 586516863 /nfs/dbraw/zinc/51/68/63/586516863.db2.gz KSKQGKITDXXJFV-UHFFFAOYSA-N 1 2 246.270 0.767 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000809767886 586518512 /nfs/dbraw/zinc/51/85/12/586518512.db2.gz WWGPHKMJRMPULO-LBPRGKRZSA-N 1 2 239.319 0.312 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCOC[C@@H]1CCO ZINC000809767886 586518513 /nfs/dbraw/zinc/51/85/13/586518513.db2.gz WWGPHKMJRMPULO-LBPRGKRZSA-N 1 2 239.319 0.312 20 0 BCADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CCO)nc1 ZINC000809764247 586518789 /nfs/dbraw/zinc/51/87/89/586518789.db2.gz CTXPNFGHCWVERP-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CCO)nc1 ZINC000809764247 586518791 /nfs/dbraw/zinc/51/87/91/586518791.db2.gz CTXPNFGHCWVERP-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO Cn1ncc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000809935874 586524435 /nfs/dbraw/zinc/52/44/35/586524435.db2.gz ZEXZEXCOHZAIFL-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000809935874 586524436 /nfs/dbraw/zinc/52/44/36/586524436.db2.gz ZEXZEXCOHZAIFL-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cnn(C)n1 ZINC000809985531 586528699 /nfs/dbraw/zinc/52/86/99/586528699.db2.gz PKTLYAIDQJIBRM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cnn(C)n1 ZINC000809985531 586528700 /nfs/dbraw/zinc/52/87/00/586528700.db2.gz PKTLYAIDQJIBRM-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO Cc1ccccc1C(N)=[NH+]OCc1nnn(C)n1 ZINC000809991005 586529377 /nfs/dbraw/zinc/52/93/77/586529377.db2.gz RMDBXMPVGGDXKM-UHFFFAOYSA-N 1 2 246.274 0.565 20 0 BCADLO CSCCC[N@H+](C)Cc1cnn(C)n1 ZINC000810001514 586530314 /nfs/dbraw/zinc/53/03/14/586530314.db2.gz FRCCOBLLRYDQJK-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BCADLO CSCCC[N@@H+](C)Cc1cnn(C)n1 ZINC000810001514 586530316 /nfs/dbraw/zinc/53/03/16/586530316.db2.gz FRCCOBLLRYDQJK-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BCADLO CC(C)COC[C@H](O)C[NH2+][C@]1(C)CCOC1=O ZINC000810096401 586533503 /nfs/dbraw/zinc/53/35/03/586533503.db2.gz MKUFFNMPWUBYQG-ZYHUDNBSSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@]1([NH2+]CCOC[C@H]2CCCO2)CCOC1=O ZINC000810095668 586533583 /nfs/dbraw/zinc/53/35/83/586533583.db2.gz STVGLSBEDQYJEM-PWSUYJOCSA-N 1 2 243.303 0.477 20 0 BCADLO C[C@@]1([NH2+]CCOC[C@@H]2CCCO2)CCOC1=O ZINC000810095666 586533630 /nfs/dbraw/zinc/53/36/30/586533630.db2.gz STVGLSBEDQYJEM-CMPLNLGQSA-N 1 2 243.303 0.477 20 0 BCADLO COC(=O)C(C)(C)CC[NH2+][C@@]1(C)CCOC1=O ZINC000810096046 586533806 /nfs/dbraw/zinc/53/38/06/586533806.db2.gz CRADVWAOIQLVKD-LBPRGKRZSA-N 1 2 243.303 0.871 20 0 BCADLO CC(C)OCC[C@H](O)C[NH2+][C@@]1(C)CCOC1=O ZINC000810096433 586533969 /nfs/dbraw/zinc/53/39/69/586533969.db2.gz NAQYZCTZPCXUBE-JQWIXIFHSA-N 1 2 245.319 0.458 20 0 BCADLO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C ZINC000810091544 586533999 /nfs/dbraw/zinc/53/39/99/586533999.db2.gz AKBOAEPUEMSTEU-PHDIDXHHSA-N 1 2 230.205 0.953 20 0 BCADLO C[C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000810091544 586534000 /nfs/dbraw/zinc/53/40/00/586534000.db2.gz AKBOAEPUEMSTEU-PHDIDXHHSA-N 1 2 230.205 0.953 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cc2n(n1)CCO2 ZINC000810719734 586545453 /nfs/dbraw/zinc/54/54/53/586545453.db2.gz WXSNRTVPHBEPQH-UHFFFAOYSA-N 1 2 248.242 0.329 20 0 BCADLO COc1ccnc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000810755006 586546276 /nfs/dbraw/zinc/54/62/76/586546276.db2.gz OLRXOQOKKZRLAF-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ncccn1 ZINC000811588244 586561520 /nfs/dbraw/zinc/56/15/20/586561520.db2.gz CKDCPLXLHZNOCC-UHFFFAOYSA-N 1 2 217.232 0.140 20 0 BCADLO Cn1c[nH+]cc1CNc1ncnc2nccnc21 ZINC000811628038 586562063 /nfs/dbraw/zinc/56/20/63/586562063.db2.gz LRMOGFAJSGXMEX-UHFFFAOYSA-N 1 2 241.258 0.765 20 0 BCADLO C[C@@H]1CC(=O)N(CN2CCn3c[nH+]cc3C2)C1 ZINC000811788216 586566772 /nfs/dbraw/zinc/56/67/72/586566772.db2.gz FCNCZBWNOFAIRI-SNVBAGLBSA-N 1 2 234.303 0.525 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)N2CCCO2)CCO1 ZINC000812020993 586569465 /nfs/dbraw/zinc/56/94/65/586569465.db2.gz QAEJTXNZRMBYNF-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCCO2)CCO1 ZINC000812020993 586569466 /nfs/dbraw/zinc/56/94/66/586569466.db2.gz QAEJTXNZRMBYNF-JTQLQIEISA-N 1 2 243.307 0.054 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CN1CCCC1=O ZINC000812298708 586572730 /nfs/dbraw/zinc/57/27/30/586572730.db2.gz ZLYBJXTVBDRGOR-NSHDSACASA-N 1 2 242.319 0.304 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CN1CCCC1=O ZINC000812298708 586572731 /nfs/dbraw/zinc/57/27/31/586572731.db2.gz ZLYBJXTVBDRGOR-NSHDSACASA-N 1 2 242.319 0.304 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC(C)(C)C1 ZINC000812486320 586578069 /nfs/dbraw/zinc/57/80/69/586578069.db2.gz KNOJZPRKGDAPRT-UHFFFAOYSA-N 1 2 222.292 0.972 20 0 BCADLO CON(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000812555793 586579357 /nfs/dbraw/zinc/57/93/57/586579357.db2.gz KKDRNLADXQNZAC-SSDOTTSWSA-N 1 2 224.264 0.470 20 0 BCADLO CON(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000812555793 586579358 /nfs/dbraw/zinc/57/93/58/586579358.db2.gz KKDRNLADXQNZAC-SSDOTTSWSA-N 1 2 224.264 0.470 20 0 BCADLO Cn1cc(NC(=O)CCCn2cc[nH+]c2)nn1 ZINC000812701512 586582877 /nfs/dbraw/zinc/58/28/77/586582877.db2.gz WLJIKPAPOKQVRQ-UHFFFAOYSA-N 1 2 234.263 0.431 20 0 BCADLO Cn1cc(NC(=O)c2cccc3[nH+]ccn32)nn1 ZINC000812705188 586583242 /nfs/dbraw/zinc/58/32/42/586583242.db2.gz PVCIBXVZRAVHFP-UHFFFAOYSA-N 1 2 242.242 0.715 20 0 BCADLO CC[N@@H+](Cc1cnn(C)n1)C[C@H](C)OC ZINC000812908110 586588546 /nfs/dbraw/zinc/58/85/46/586588546.db2.gz BAKLHXMBVTXGHG-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO CC[N@H+](Cc1cnn(C)n1)C[C@H](C)OC ZINC000812908110 586588547 /nfs/dbraw/zinc/58/85/47/586588547.db2.gz BAKLHXMBVTXGHG-VIFPVBQESA-N 1 2 212.297 0.672 20 0 BCADLO Cc1cc(NCCCc2cnn(C)n2)nc[nH+]1 ZINC000814897174 586645219 /nfs/dbraw/zinc/64/52/19/586645219.db2.gz GOTCNPHDRDCAMC-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO COC(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815155707 586670867 /nfs/dbraw/zinc/67/08/67/586670867.db2.gz LLPXVIXZLJYRKQ-UHFFFAOYSA-N 1 2 229.276 0.388 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)CC[N@@H+]1C ZINC000815700356 586692239 /nfs/dbraw/zinc/69/22/39/586692239.db2.gz GEQHMRVSDGUNLH-SECBINFHSA-N 1 2 235.287 0.603 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C=O)c[nH]2)CC[N@H+]1C ZINC000815700356 586692241 /nfs/dbraw/zinc/69/22/41/586692241.db2.gz GEQHMRVSDGUNLH-SECBINFHSA-N 1 2 235.287 0.603 20 0 BCADLO CCn1ncc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000815740779 586692857 /nfs/dbraw/zinc/69/28/57/586692857.db2.gz YVOFWNSGZGAQPH-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCNC(=O)CC1 ZINC000815881490 586695719 /nfs/dbraw/zinc/69/57/19/586695719.db2.gz PPKBRLRUSXCOOY-QMMMGPOBSA-N 1 2 249.270 0.064 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1conc1C ZINC000816485966 586735703 /nfs/dbraw/zinc/73/57/03/586735703.db2.gz IJMQGHUGWUMSOJ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1conc1C ZINC000816485966 586735704 /nfs/dbraw/zinc/73/57/04/586735704.db2.gz IJMQGHUGWUMSOJ-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO COCC[N@H+](CCO)Cc1cnn(C)c1Cl ZINC000816502487 586737480 /nfs/dbraw/zinc/73/74/80/586737480.db2.gz CRTSAZNUHSQNTC-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COCC[N@@H+](CCO)Cc1cnn(C)c1Cl ZINC000816502487 586737481 /nfs/dbraw/zinc/73/74/81/586737481.db2.gz CRTSAZNUHSQNTC-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO O=C(CCCn1cc[nH+]c1)O[C@H]1CNOC1 ZINC000816572081 586741831 /nfs/dbraw/zinc/74/18/31/586741831.db2.gz ASOJPRYVHCBBBR-VIFPVBQESA-N 1 2 225.248 0.110 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1Cl ZINC000816586201 586743267 /nfs/dbraw/zinc/74/32/67/586743267.db2.gz CHEKHMSFUGQCTN-GXSJLCMTSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1Cl ZINC000816586201 586743269 /nfs/dbraw/zinc/74/32/69/586743269.db2.gz CHEKHMSFUGQCTN-GXSJLCMTSA-N 1 2 241.722 0.888 20 0 BCADLO Cn1ncc(C[NH+]2CC(C3CCOCC3)C2)n1 ZINC000816600466 586743556 /nfs/dbraw/zinc/74/35/56/586743556.db2.gz YHQXOENBXOEXJX-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000859824622 589063858 /nfs/dbraw/zinc/06/38/58/589063858.db2.gz CENWQIFXSVKYEY-JDDHQFAOSA-N 1 2 213.277 0.703 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCOC1=O ZINC000859824621 589063893 /nfs/dbraw/zinc/06/38/93/589063893.db2.gz CENWQIFXSVKYEY-GENCIFFESA-N 1 2 213.277 0.703 20 0 BCADLO O=Cc1c[nH]c(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000816777309 586763521 /nfs/dbraw/zinc/76/35/21/586763521.db2.gz YWRBNVHEEGGHPF-UHFFFAOYSA-N 1 2 244.254 0.680 20 0 BCADLO CON(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816810869 586765582 /nfs/dbraw/zinc/76/55/82/586765582.db2.gz DEWWURZJANNWMT-MRVPVSSYSA-N 1 2 209.249 0.465 20 0 BCADLO CCOCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816829470 586766759 /nfs/dbraw/zinc/76/67/59/586766759.db2.gz RMSUKNYGAJLNNA-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccncc1 ZINC000816830542 586767029 /nfs/dbraw/zinc/76/70/29/586767029.db2.gz KGLRLMNSIVRJNP-UHFFFAOYSA-N 1 2 202.217 0.408 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816834170 586767164 /nfs/dbraw/zinc/76/71/64/586767164.db2.gz IQWYETJAFXRNHI-QMMMGPOBSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC(F)(F)F ZINC000816844975 586768452 /nfs/dbraw/zinc/76/84/52/586768452.db2.gz WYQWSWVAQZHITC-UHFFFAOYSA-N 1 2 207.155 0.631 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000816905379 586770336 /nfs/dbraw/zinc/77/03/36/586770336.db2.gz ZHVCBGIORXEXBK-SECBINFHSA-N 1 2 237.303 0.978 20 0 BCADLO COCCN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816917911 586771326 /nfs/dbraw/zinc/77/13/26/586771326.db2.gz HCHXVFLJFOBQEG-UHFFFAOYSA-N 1 2 247.245 0.692 20 0 BCADLO CCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816938412 586771771 /nfs/dbraw/zinc/77/17/71/586771771.db2.gz ZIPFMSNLGSEOMY-UHFFFAOYSA-N 1 2 237.303 0.716 20 0 BCADLO COC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816924374 586771826 /nfs/dbraw/zinc/77/18/26/586771826.db2.gz KJEMGBSGKOIHSD-JTQLQIEISA-N 1 2 237.303 0.837 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000816956633 586774318 /nfs/dbraw/zinc/77/43/18/586774318.db2.gz RMAODABQJUPJJW-SNVBAGLBSA-N 1 2 235.287 0.590 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000817280271 586792639 /nfs/dbraw/zinc/79/26/39/586792639.db2.gz BLLFVFMBQGPJGX-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000817280271 586792640 /nfs/dbraw/zinc/79/26/40/586792640.db2.gz BLLFVFMBQGPJGX-LLVKDONJSA-N 1 2 242.319 0.396 20 0 BCADLO CC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@@H](CC)O1 ZINC000817281783 586792706 /nfs/dbraw/zinc/79/27/06/586792706.db2.gz PCOCOSWTHVZNGL-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO COC1CC(C(=O)OCC[NH+]2CCOCC2)C1 ZINC000859847544 589066627 /nfs/dbraw/zinc/06/66/27/589066627.db2.gz KIUFPUZXEDVYJJ-UHFFFAOYSA-N 1 2 243.303 0.287 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859908861 589070155 /nfs/dbraw/zinc/07/01/55/589070155.db2.gz QIXHEMCMRDEZDC-LKFCYVNXSA-N 1 2 223.313 0.425 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000859908861 589070157 /nfs/dbraw/zinc/07/01/57/589070157.db2.gz QIXHEMCMRDEZDC-LKFCYVNXSA-N 1 2 223.313 0.425 20 0 BCADLO Cc1nc([C@@H](C)OC(=O)Cn2c[nH+]cc2C)n[nH]1 ZINC000859946246 589072125 /nfs/dbraw/zinc/07/21/25/589072125.db2.gz MNFZNVWJHKGVHH-MRVPVSSYSA-N 1 2 249.274 0.922 20 0 BCADLO Nc1cccc2c1C(=O)N(C[NH+]1CCCC1)C2=O ZINC000818198537 586878500 /nfs/dbraw/zinc/87/85/00/586878500.db2.gz VNECVQPKAODCEV-UHFFFAOYSA-N 1 2 245.282 0.918 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000819265487 586945404 /nfs/dbraw/zinc/94/54/04/586945404.db2.gz GKXDXNBPJGVNLZ-XOULXFPDSA-N 1 2 235.287 0.804 20 0 BCADLO Cc1ccc([C@@H](O)C[NH2+]Cc2nnn(C)n2)cc1 ZINC000819270764 586945773 /nfs/dbraw/zinc/94/57/73/586945773.db2.gz IBQRVYHDEKRNCP-NSHDSACASA-N 1 2 247.302 0.342 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273107 586945953 /nfs/dbraw/zinc/94/59/53/586945953.db2.gz NMGYHUAHFKRNNQ-TYRPZCRBSA-N 1 2 221.260 0.761 20 0 BCADLO O=C(C=C[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000819273107 586945955 /nfs/dbraw/zinc/94/59/55/586945955.db2.gz NMGYHUAHFKRNNQ-TYRPZCRBSA-N 1 2 221.260 0.761 20 0 BCADLO CCn1ccc(C[NH2+]CCS(=O)(=O)CC)n1 ZINC000819368162 586958021 /nfs/dbraw/zinc/95/80/21/586958021.db2.gz FNGZUOHXYWLLBC-UHFFFAOYSA-N 1 2 245.348 0.427 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819488750 586968809 /nfs/dbraw/zinc/96/88/09/586968809.db2.gz VRQPVVXFMZFDFM-ITKZLYELSA-N 1 2 249.314 0.814 20 0 BCADLO CCn1nc(C)c(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000819596834 586980283 /nfs/dbraw/zinc/98/02/83/586980283.db2.gz VGPIUOQVYAQJBA-UHFFFAOYSA-N 1 2 248.290 0.119 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000820077512 587018649 /nfs/dbraw/zinc/01/86/49/587018649.db2.gz CGEBSQFSZJJWKB-KOLCDFICSA-N 1 2 246.376 0.877 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165533 589082262 /nfs/dbraw/zinc/08/22/62/589082262.db2.gz XHGKBXYWOSXUGB-NXEZZACHSA-N 1 2 241.287 0.290 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165533 589082263 /nfs/dbraw/zinc/08/22/63/589082263.db2.gz XHGKBXYWOSXUGB-NXEZZACHSA-N 1 2 241.287 0.290 20 0 BCADLO O=C1OC[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@H]12 ZINC000860156834 589082553 /nfs/dbraw/zinc/08/25/53/589082553.db2.gz HDQWKSHJGNYSKR-IUCAKERBSA-N 1 2 249.270 0.552 20 0 BCADLO O=C1OC[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@H]12 ZINC000860156834 589082555 /nfs/dbraw/zinc/08/25/55/589082555.db2.gz HDQWKSHJGNYSKR-IUCAKERBSA-N 1 2 249.270 0.552 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000820465324 587050294 /nfs/dbraw/zinc/05/02/94/587050294.db2.gz BARDVJMNXGSWNH-UWVGGRQHSA-N 1 2 225.292 0.972 20 0 BCADLO COC[C@H]1CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820532178 587052953 /nfs/dbraw/zinc/05/29/53/587052953.db2.gz SNJBAWUVEMURAT-PGLGOXFNSA-N 1 2 235.287 0.681 20 0 BCADLO C[N@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820568861 587055634 /nfs/dbraw/zinc/05/56/34/587055634.db2.gz DSXVXASJPKASNA-UHFFFAOYSA-N 1 2 219.244 0.851 20 0 BCADLO C[N@@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820568861 587055636 /nfs/dbraw/zinc/05/56/36/587055636.db2.gz DSXVXASJPKASNA-UHFFFAOYSA-N 1 2 219.244 0.851 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H](O)CC2)c1 ZINC000820835045 587075725 /nfs/dbraw/zinc/07/57/25/587075725.db2.gz KRZHXSIVDSPBRK-ZYOFXKKJSA-N 1 2 249.314 0.807 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820948012 587084189 /nfs/dbraw/zinc/08/41/89/587084189.db2.gz MICNWTPPKGPWBJ-LDYMZIIASA-N 1 2 223.276 0.605 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860168823 589085537 /nfs/dbraw/zinc/08/55/37/589085537.db2.gz ZTTDUHXOWNGOEW-NBEYISGCSA-N 1 2 236.275 0.279 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860168823 589085539 /nfs/dbraw/zinc/08/55/39/589085539.db2.gz ZTTDUHXOWNGOEW-NBEYISGCSA-N 1 2 236.275 0.279 20 0 BCADLO CCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000821366897 587112622 /nfs/dbraw/zinc/11/26/22/587112622.db2.gz UOMYALPQXCICRW-UHFFFAOYSA-N 1 2 211.265 0.183 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCOC1 ZINC000821368458 587112656 /nfs/dbraw/zinc/11/26/56/587112656.db2.gz CDKYZNFFGRRENI-UHFFFAOYSA-N 1 2 217.228 0.993 20 0 BCADLO O=C([O-])CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000821525483 587125586 /nfs/dbraw/zinc/12/55/86/587125586.db2.gz XXEJRUQJSHCHIW-UHFFFAOYSA-N 1 2 219.244 0.899 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NN1CCCC1 ZINC000821564550 587128824 /nfs/dbraw/zinc/12/88/24/587128824.db2.gz JMQYGFOKEUTMAM-UHFFFAOYSA-N 1 2 220.276 0.944 20 0 BCADLO Cc1cn2ccc(C(=O)NOCCO)cc2[nH+]1 ZINC000822062944 587151233 /nfs/dbraw/zinc/15/12/33/587151233.db2.gz WYDDIEYYKLPIRC-UHFFFAOYSA-N 1 2 235.243 0.296 20 0 BCADLO CC[C@](C)(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000822365565 587164210 /nfs/dbraw/zinc/16/42/10/587164210.db2.gz XHDYWNNPOFNWLR-NSHDSACASA-N 1 2 225.292 0.240 20 0 BCADLO CC(C)C1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000822454187 587168848 /nfs/dbraw/zinc/16/88/48/587168848.db2.gz REHBSURITXAQKC-NXEZZACHSA-N 1 2 249.314 0.743 20 0 BCADLO CC(C)C1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000822454187 587168850 /nfs/dbraw/zinc/16/88/50/587168850.db2.gz REHBSURITXAQKC-NXEZZACHSA-N 1 2 249.314 0.743 20 0 BCADLO Cn1ncc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000822503291 587172398 /nfs/dbraw/zinc/17/23/98/587172398.db2.gz FJOSXCFKYCNTMO-LLVKDONJSA-N 1 2 247.306 0.244 20 0 BCADLO Cn1ncc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000822503291 587172399 /nfs/dbraw/zinc/17/23/99/587172399.db2.gz FJOSXCFKYCNTMO-LLVKDONJSA-N 1 2 247.306 0.244 20 0 BCADLO C[C@@H](O)[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000822543694 587174462 /nfs/dbraw/zinc/17/44/62/587174462.db2.gz ZHZKSWSQHDRWHG-RDDDGLTNSA-N 1 2 249.270 0.034 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(C(C)C)no1 ZINC000822643649 587179107 /nfs/dbraw/zinc/17/91/07/587179107.db2.gz HGKXEFBAUWIDKD-LURJTMIESA-N 1 2 213.237 0.756 20 0 BCADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CO ZINC000822725267 587182826 /nfs/dbraw/zinc/18/28/26/587182826.db2.gz BSYBDIXJTHEZAE-VIFPVBQESA-N 1 2 225.292 0.406 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 ZINC000822846109 587189256 /nfs/dbraw/zinc/18/92/56/587189256.db2.gz YMEFTFPRIIWEKJ-ACZMJKKPSA-N 1 2 225.248 0.756 20 0 BCADLO COCCCONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822914162 587192730 /nfs/dbraw/zinc/19/27/30/587192730.db2.gz RFTODAQZIVAEAY-RKDXNWHRSA-N 1 2 239.275 0.598 20 0 BCADLO COC/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952346 587195204 /nfs/dbraw/zinc/19/52/04/587195204.db2.gz QYRMYXICSNLGKR-PGLGOXFNSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952346 587195205 /nfs/dbraw/zinc/19/52/05/587195205.db2.gz QYRMYXICSNLGKR-PGLGOXFNSA-N 1 2 242.319 0.026 20 0 BCADLO O=C(CCF)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823008464 587198328 /nfs/dbraw/zinc/19/83/28/587198328.db2.gz WNPLTQFUTPITEU-UHFFFAOYSA-N 1 2 240.282 0.414 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000823107476 587203420 /nfs/dbraw/zinc/20/34/20/587203420.db2.gz DAHIRQMUSGLFEK-UIALCFJWSA-N 1 2 249.314 0.805 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000823107474 587203576 /nfs/dbraw/zinc/20/35/76/587203576.db2.gz DAHIRQMUSGLFEK-QQHVKIJGSA-N 1 2 249.314 0.805 20 0 BCADLO CO[C@@H](C[NH2+][C@@]1(C)CCOC1=O)C1CC1 ZINC000823157291 587205766 /nfs/dbraw/zinc/20/57/66/587205766.db2.gz PLJOBEDIYJFSQL-ONGXEEELSA-N 1 2 213.277 0.707 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC3(C2)CCOC3)[nH+]1 ZINC000823214458 587208942 /nfs/dbraw/zinc/20/89/42/587208942.db2.gz ZHGRWUYXHGJCLD-UHFFFAOYSA-N 1 2 249.314 0.764 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000823237224 587210402 /nfs/dbraw/zinc/21/04/02/587210402.db2.gz PNCPWCGVIVPMOL-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000823265486 587212808 /nfs/dbraw/zinc/21/28/08/587212808.db2.gz LCFGVSKVUZFPMO-CNZCLXAMSA-N 1 2 221.260 0.073 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(C2(C)CC2)no1 ZINC000823274140 587213030 /nfs/dbraw/zinc/21/30/30/587213030.db2.gz AHUZWTGPMQPHAX-LURJTMIESA-N 1 2 225.248 0.684 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475891 587224898 /nfs/dbraw/zinc/22/48/98/587224898.db2.gz MZZXPWMSJXNCBQ-NXEZZACHSA-N 1 2 236.275 0.231 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475891 587224899 /nfs/dbraw/zinc/22/48/99/587224899.db2.gz MZZXPWMSJXNCBQ-NXEZZACHSA-N 1 2 236.275 0.231 20 0 BCADLO CCCONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000823609263 587232775 /nfs/dbraw/zinc/23/27/75/587232775.db2.gz VWBKYHLVTGMZPL-SNAWJCMRSA-N 1 2 209.249 0.891 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823633680 587233869 /nfs/dbraw/zinc/23/38/69/587233869.db2.gz BQQCLTNNUYBTKW-BXKDBHETSA-N 1 2 237.303 0.475 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000824308315 587265421 /nfs/dbraw/zinc/26/54/21/587265421.db2.gz YJFGGDOQXOITND-NSHDSACASA-N 1 2 238.335 0.809 20 0 BCADLO CCn1nc(C)c(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000824308315 587265422 /nfs/dbraw/zinc/26/54/22/587265422.db2.gz YJFGGDOQXOITND-NSHDSACASA-N 1 2 238.335 0.809 20 0 BCADLO C[C@@H](O)CN(C(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000824384375 587268618 /nfs/dbraw/zinc/26/86/18/587268618.db2.gz RUGPBXYDFPVFSM-QLCVYAKKSA-N 1 2 249.314 0.805 20 0 BCADLO CCn1nc(C)c(C[N@@H+]2CC[C@@H]2COC)n1 ZINC000824432747 587270721 /nfs/dbraw/zinc/27/07/21/587270721.db2.gz AXDZAJFPFOGWFQ-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO CCn1nc(C)c(C[N@H+]2CC[C@@H]2COC)n1 ZINC000824432747 587270723 /nfs/dbraw/zinc/27/07/23/587270723.db2.gz AXDZAJFPFOGWFQ-SNVBAGLBSA-N 1 2 224.308 0.827 20 0 BCADLO COCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000824676055 587282212 /nfs/dbraw/zinc/28/22/12/587282212.db2.gz CYXKRXGXLAPPAB-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO CC[C@@H](O)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825257705 587311250 /nfs/dbraw/zinc/31/12/50/587311250.db2.gz JQXFYJNUEMYUIN-ORAHPGNNSA-N 1 2 223.276 0.320 20 0 BCADLO Cn1ncc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n1 ZINC000825331978 587315428 /nfs/dbraw/zinc/31/54/28/587315428.db2.gz OWPLSCLMMSXUEJ-MNOVXSKESA-N 1 2 236.319 0.672 20 0 BCADLO Cn1ncc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n1 ZINC000825331978 587315430 /nfs/dbraw/zinc/31/54/30/587315430.db2.gz OWPLSCLMMSXUEJ-MNOVXSKESA-N 1 2 236.319 0.672 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825387986 587318128 /nfs/dbraw/zinc/31/81/28/587318128.db2.gz SQGCNIQUCSFRLN-UHGNHILRSA-N 1 2 249.314 0.805 20 0 BCADLO CC[C@@](C)(O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825531553 587323847 /nfs/dbraw/zinc/32/38/47/587323847.db2.gz LRDRPJMBEUGGFO-GFCCVEGCSA-N 1 2 239.319 0.895 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000825666903 587330362 /nfs/dbraw/zinc/33/03/62/587330362.db2.gz RJJDJINRDAAYCL-UTINFBMNSA-N 1 2 243.303 0.725 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCN(C)C(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852552 587341344 /nfs/dbraw/zinc/34/13/44/587341344.db2.gz OLVDNPVSUMYGDS-ZJUUUORDSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCN(C)C(=O)[O-])C[N@H+]1C1CC1 ZINC000825852552 587341346 /nfs/dbraw/zinc/34/13/46/587341346.db2.gz OLVDNPVSUMYGDS-ZJUUUORDSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCNC(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852693 587341551 /nfs/dbraw/zinc/34/15/51/587341551.db2.gz PUJLMEKQCRJIEK-BDAKNGLRSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@@H]1C[C@H]([NH2+]CCNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825852693 587341553 /nfs/dbraw/zinc/34/15/53/587341553.db2.gz PUJLMEKQCRJIEK-BDAKNGLRSA-N 1 2 227.308 0.469 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCN(C)C(=O)[O-])C[N@@H+]1C1CC1 ZINC000825852549 587341627 /nfs/dbraw/zinc/34/16/27/587341627.db2.gz OLVDNPVSUMYGDS-NXEZZACHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+]CCN(C)C(=O)[O-])C[N@H+]1C1CC1 ZINC000825852549 587341628 /nfs/dbraw/zinc/34/16/28/587341628.db2.gz OLVDNPVSUMYGDS-NXEZZACHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@H]1C[C@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@@H+]1C1CC1 ZINC000825852991 587341795 /nfs/dbraw/zinc/34/17/95/587341795.db2.gz SAQNHKAGMFEPSY-IUCAKERBSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@H]1C[C@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@H+]1C1CC1 ZINC000825852991 587341796 /nfs/dbraw/zinc/34/17/96/587341796.db2.gz SAQNHKAGMFEPSY-IUCAKERBSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@@H+]1C1CC1 ZINC000825852990 587341818 /nfs/dbraw/zinc/34/18/18/587341818.db2.gz SAQNHKAGMFEPSY-DTWKUNHWSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]C2CN(C(=O)[O-])C2)C[N@H+]1C1CC1 ZINC000825852990 587341819 /nfs/dbraw/zinc/34/18/19/587341819.db2.gz SAQNHKAGMFEPSY-DTWKUNHWSA-N 1 2 239.319 0.563 20 0 BCADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000825931813 587345812 /nfs/dbraw/zinc/34/58/12/587345812.db2.gz NIPFFKQKIGLKMW-GHMZBOCLSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000825931813 587345813 /nfs/dbraw/zinc/34/58/13/587345813.db2.gz NIPFFKQKIGLKMW-GHMZBOCLSA-N 1 2 241.335 0.813 20 0 BCADLO C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951200 587346816 /nfs/dbraw/zinc/34/68/16/587346816.db2.gz TYFMJRJFKWDQEB-GHMZBOCLSA-N 1 2 241.335 0.670 20 0 BCADLO C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825951200 587346817 /nfs/dbraw/zinc/34/68/17/587346817.db2.gz TYFMJRJFKWDQEB-GHMZBOCLSA-N 1 2 241.335 0.670 20 0 BCADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CNC(=O)[O-])C1CC1 ZINC000826049627 587349559 /nfs/dbraw/zinc/34/95/59/587349559.db2.gz NPBZVNAZRQPIRQ-MIMYLULJSA-N 1 2 241.335 0.572 20 0 BCADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CNC(=O)[O-])C1CC1 ZINC000826049627 587349560 /nfs/dbraw/zinc/34/95/60/587349560.db2.gz NPBZVNAZRQPIRQ-MIMYLULJSA-N 1 2 241.335 0.572 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCCSCC1 ZINC000826142752 587350783 /nfs/dbraw/zinc/35/07/83/587350783.db2.gz JWQRBQVSXWEWHV-SECBINFHSA-N 1 2 232.349 0.929 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(NCC[C@H](C)O)[nH+]1 ZINC000826275535 587351794 /nfs/dbraw/zinc/35/17/94/587351794.db2.gz CGQRDWMRVHAPRQ-QMMMGPOBSA-N 1 2 248.290 0.753 20 0 BCADLO Cc1[nH+]ccn1CCn1ccnc1-c1nn[nH]n1 ZINC000826331662 587352289 /nfs/dbraw/zinc/35/22/89/587352289.db2.gz SICVRMANQPQFFE-UHFFFAOYSA-N 1 2 244.262 0.268 20 0 BCADLO C[C@@H](O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826704020 587359600 /nfs/dbraw/zinc/35/96/00/587359600.db2.gz OWWLLUJZTIMXLN-SKDRFNHKSA-N 1 2 234.299 0.670 20 0 BCADLO C[C@@H](O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826704020 587359601 /nfs/dbraw/zinc/35/96/01/587359601.db2.gz OWWLLUJZTIMXLN-SKDRFNHKSA-N 1 2 234.299 0.670 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)Cc1cncnc1 ZINC000826769428 587361914 /nfs/dbraw/zinc/36/19/14/587361914.db2.gz MAIQPIOAFQRPIF-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)Cc1cncnc1 ZINC000826769428 587361915 /nfs/dbraw/zinc/36/19/15/587361915.db2.gz MAIQPIOAFQRPIF-UHFFFAOYSA-N 1 2 203.249 0.832 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1nc(N(C)C)cc[nH+]1 ZINC000826798396 587362803 /nfs/dbraw/zinc/36/28/03/587362803.db2.gz WLLXGRYDQGMNCU-MRVPVSSYSA-N 1 2 235.291 0.167 20 0 BCADLO COCc1n[nH]c(C[NH2+]C[C@H]2CCC=CO2)n1 ZINC000827005304 587367744 /nfs/dbraw/zinc/36/77/44/587367744.db2.gz DNUPTHFGOWRIPS-SECBINFHSA-N 1 2 238.291 0.733 20 0 BCADLO COCc1nnc(C[NH2+]C[C@H]2CCC=CO2)[nH]1 ZINC000827005304 587367745 /nfs/dbraw/zinc/36/77/45/587367745.db2.gz DNUPTHFGOWRIPS-SECBINFHSA-N 1 2 238.291 0.733 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000827000061 587367756 /nfs/dbraw/zinc/36/77/56/587367756.db2.gz HFAVFNCDBKFBON-JTQLQIEISA-N 1 2 237.259 0.701 20 0 BCADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000827000061 587367757 /nfs/dbraw/zinc/36/77/57/587367757.db2.gz HFAVFNCDBKFBON-JTQLQIEISA-N 1 2 237.259 0.701 20 0 BCADLO COCc1n[nH]c(C[NH2+]C[C@@H]2CCC=CO2)n1 ZINC000827005305 587367917 /nfs/dbraw/zinc/36/79/17/587367917.db2.gz DNUPTHFGOWRIPS-VIFPVBQESA-N 1 2 238.291 0.733 20 0 BCADLO COCc1nnc(C[NH2+]C[C@@H]2CCC=CO2)[nH]1 ZINC000827005305 587367918 /nfs/dbraw/zinc/36/79/18/587367918.db2.gz DNUPTHFGOWRIPS-VIFPVBQESA-N 1 2 238.291 0.733 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000827223634 587373516 /nfs/dbraw/zinc/37/35/16/587373516.db2.gz JIXTYFXOTASUJS-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000827223631 587373529 /nfs/dbraw/zinc/37/35/29/587373529.db2.gz JIXTYFXOTASUJS-NXEZZACHSA-N 1 2 237.303 0.978 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCCN2C=O)cc[nH+]1 ZINC000827388798 587379357 /nfs/dbraw/zinc/37/93/57/587379357.db2.gz IRKWENPSVNAYGF-LLVKDONJSA-N 1 2 233.271 0.371 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC000827389292 587379465 /nfs/dbraw/zinc/37/94/65/587379465.db2.gz NAUGVNLWRSWIBF-VIFPVBQESA-N 1 2 233.271 0.419 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]cc(C)[nH+]2)nn1 ZINC000827582694 587390337 /nfs/dbraw/zinc/39/03/37/587390337.db2.gz UXXUFJKOBIJIIX-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000827925348 587407646 /nfs/dbraw/zinc/40/76/46/587407646.db2.gz UJDQKIMCVFSIRQ-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC[S@](C)=O ZINC000827925348 587407647 /nfs/dbraw/zinc/40/76/47/587407647.db2.gz UJDQKIMCVFSIRQ-ZANVPECISA-N 1 2 205.323 0.476 20 0 BCADLO C[N@H+](CC[S@@](C)=O)Cc1cc[nH]n1 ZINC000827919370 587410182 /nfs/dbraw/zinc/41/01/82/587410182.db2.gz HXTTWUSAALHAEF-CYBMUJFWSA-N 1 2 201.295 0.220 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)Cc1cc[nH]n1 ZINC000827919370 587410183 /nfs/dbraw/zinc/41/01/83/587410183.db2.gz HXTTWUSAALHAEF-CYBMUJFWSA-N 1 2 201.295 0.220 20 0 BCADLO CC[C@](C)([NH2+]CC[S@@](C)=O)C(=O)OC ZINC000828122407 587419970 /nfs/dbraw/zinc/41/99/70/587419970.db2.gz LMJNUPSIVNKJFF-LKFCYVNXSA-N 1 2 221.322 0.296 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000828127681 587420491 /nfs/dbraw/zinc/42/04/91/587420491.db2.gz TVAGZBKMMWNFHC-RFAUZJTJSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000828127681 587420492 /nfs/dbraw/zinc/42/04/92/587420492.db2.gz TVAGZBKMMWNFHC-RFAUZJTJSA-N 1 2 227.333 0.925 20 0 BCADLO C[S@@](=O)CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000828127681 587420493 /nfs/dbraw/zinc/42/04/93/587420493.db2.gz TVAGZBKMMWNFHC-RFAUZJTJSA-N 1 2 227.333 0.925 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC[S@](C)=O ZINC000828317724 587434280 /nfs/dbraw/zinc/43/42/80/587434280.db2.gz AEBSNXPYPDGVSP-ABKXIKBNSA-N 1 2 248.392 0.600 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC[S@](C)=O ZINC000828317724 587434282 /nfs/dbraw/zinc/43/42/82/587434282.db2.gz AEBSNXPYPDGVSP-ABKXIKBNSA-N 1 2 248.392 0.600 20 0 BCADLO COC[C@@H]1C[N@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000828389352 587439602 /nfs/dbraw/zinc/43/96/02/587439602.db2.gz IOMQSLNEWGKEMI-AMJWSMQMSA-N 1 2 235.349 0.101 20 0 BCADLO COC[C@@H]1C[N@@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000828389352 587439604 /nfs/dbraw/zinc/43/96/04/587439604.db2.gz IOMQSLNEWGKEMI-AMJWSMQMSA-N 1 2 235.349 0.101 20 0 BCADLO C[C@@H]1C[NH+](CC[S@](C)=O)C[C@@H](C)S1=O ZINC000828419453 587441427 /nfs/dbraw/zinc/44/14/27/587441427.db2.gz COBLGBSFGNECAN-KKFJDGPESA-N 1 2 237.390 0.206 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828512020 587446678 /nfs/dbraw/zinc/44/66/78/587446678.db2.gz YJOLZGKEIXOYND-YGRLFVJLSA-N 1 2 219.350 0.866 20 0 BCADLO CCC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828512020 587446676 /nfs/dbraw/zinc/44/66/76/587446676.db2.gz YJOLZGKEIXOYND-YGRLFVJLSA-N 1 2 219.350 0.866 20 0 BCADLO CCC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000828512017 587446745 /nfs/dbraw/zinc/44/67/45/587446745.db2.gz YJOLZGKEIXOYND-HZMBPMFUSA-N 1 2 219.350 0.866 20 0 BCADLO CCC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000828512017 587446746 /nfs/dbraw/zinc/44/67/46/587446746.db2.gz YJOLZGKEIXOYND-HZMBPMFUSA-N 1 2 219.350 0.866 20 0 BCADLO C[S@@](=O)CC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000828519300 587447069 /nfs/dbraw/zinc/44/70/69/587447069.db2.gz CXTPNGIRASLBFH-BDJLRTHQSA-N 1 2 247.360 0.246 20 0 BCADLO C[S@@](=O)CC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000828519300 587447070 /nfs/dbraw/zinc/44/70/70/587447070.db2.gz CXTPNGIRASLBFH-BDJLRTHQSA-N 1 2 247.360 0.246 20 0 BCADLO CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCO[C@@H]21 ZINC000828547653 587450181 /nfs/dbraw/zinc/45/01/81/587450181.db2.gz PVEINTRCPGDRGP-AXTRIDKLSA-N 1 2 249.314 0.882 20 0 BCADLO C[S@](=O)CC[N@H+](C1CC1)C1COC1 ZINC000828580921 587451770 /nfs/dbraw/zinc/45/17/70/587451770.db2.gz DNFAAUQTIYSUSF-ZDUSSCGKSA-N 1 2 203.307 0.228 20 0 BCADLO C[S@](=O)CC[N@@H+](C1CC1)C1COC1 ZINC000828580921 587451772 /nfs/dbraw/zinc/45/17/72/587451772.db2.gz DNFAAUQTIYSUSF-ZDUSSCGKSA-N 1 2 203.307 0.228 20 0 BCADLO C[C@@H]1CN(CC[S@](C)=O)C[C@H](C)[N@H+]1C ZINC000828581408 587451863 /nfs/dbraw/zinc/45/18/63/587451863.db2.gz MSMJGAKTHGSQNH-RBZYPMLTSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1CN(CC[S@](C)=O)C[C@H](C)[N@@H+]1C ZINC000828581408 587451864 /nfs/dbraw/zinc/45/18/64/587451864.db2.gz MSMJGAKTHGSQNH-RBZYPMLTSA-N 1 2 218.366 0.389 20 0 BCADLO CC[C@H]1C[N@H+](CC)CCN1CC[S@](C)=O ZINC000828602798 587452748 /nfs/dbraw/zinc/45/27/48/587452748.db2.gz GJLWONOXFHVOIM-NHYWBVRUSA-N 1 2 232.393 0.781 20 0 BCADLO CC[C@H]1C[N@@H+](CC)CCN1CC[S@](C)=O ZINC000828602798 587452750 /nfs/dbraw/zinc/45/27/50/587452750.db2.gz GJLWONOXFHVOIM-NHYWBVRUSA-N 1 2 232.393 0.781 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](CC[S@](C)=O)C2)n[nH]1 ZINC000828626652 587454578 /nfs/dbraw/zinc/45/45/78/587454578.db2.gz JQRHCFKLZACXRU-ABKXIKBNSA-N 1 2 242.348 0.281 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](CC[S@](C)=O)C2)n[nH]1 ZINC000828626652 587454579 /nfs/dbraw/zinc/45/45/79/587454579.db2.gz JQRHCFKLZACXRU-ABKXIKBNSA-N 1 2 242.348 0.281 20 0 BCADLO COC(=O)C[C@@H]([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000828808484 587463422 /nfs/dbraw/zinc/46/34/22/587463422.db2.gz QMZVDLKNZFGQFV-SNVBAGLBSA-N 1 2 223.276 0.841 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000828846813 587466635 /nfs/dbraw/zinc/46/66/35/587466635.db2.gz UEFNRXRIOIBROH-UWVGGRQHSA-N 1 2 217.309 0.792 20 0 BCADLO CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828869354 587467766 /nfs/dbraw/zinc/46/77/66/587467766.db2.gz BVTPKLDHGDQBHA-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169376 587486415 /nfs/dbraw/zinc/48/64/15/587486415.db2.gz OEKVEVOCVDNQGE-SSDOTTSWSA-N 1 2 227.695 0.869 20 0 BCADLO C[C@@H](O)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169376 587486417 /nfs/dbraw/zinc/48/64/17/587486417.db2.gz OEKVEVOCVDNQGE-SSDOTTSWSA-N 1 2 227.695 0.869 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829418012 587496623 /nfs/dbraw/zinc/49/66/23/587496623.db2.gz SACMBCQELITLFJ-PSASIEDQSA-N 1 2 234.303 0.923 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829418012 587496624 /nfs/dbraw/zinc/49/66/24/587496624.db2.gz SACMBCQELITLFJ-PSASIEDQSA-N 1 2 234.303 0.923 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)c3cc[nH]c3)cc2C1 ZINC000829446528 587497706 /nfs/dbraw/zinc/49/77/06/587497706.db2.gz RDQKOVFFISWRNR-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)c3cc[nH]c3)cc2C1 ZINC000829446528 587497707 /nfs/dbraw/zinc/49/77/07/587497707.db2.gz RDQKOVFFISWRNR-UHFFFAOYSA-N 1 2 245.286 0.909 20 0 BCADLO CCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471659 587499156 /nfs/dbraw/zinc/49/91/56/587499156.db2.gz DZHULOATBAZMJE-UHFFFAOYSA-N 1 2 208.265 0.677 20 0 BCADLO CCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471659 587499157 /nfs/dbraw/zinc/49/91/57/587499157.db2.gz DZHULOATBAZMJE-UHFFFAOYSA-N 1 2 208.265 0.677 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@]23C[C@H]2COC3)c1 ZINC000829569505 587504039 /nfs/dbraw/zinc/50/40/39/587504039.db2.gz FLLVRIAAARXTEE-VCDKZUISSA-N 1 2 233.271 0.338 20 0 BCADLO Cn1ccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000829601126 587505262 /nfs/dbraw/zinc/50/52/62/587505262.db2.gz ZVWOMIYTPRQOEG-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO CO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829659209 587507840 /nfs/dbraw/zinc/50/78/40/587507840.db2.gz GAGDTAPCQUQAMP-MRVPVSSYSA-N 1 2 209.249 0.200 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCSC1 ZINC000829665181 587508477 /nfs/dbraw/zinc/50/84/77/587508477.db2.gz RWHWPMIEVKDAFX-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO CCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1nn[nH]n1 ZINC000829800121 587517248 /nfs/dbraw/zinc/51/72/48/587517248.db2.gz CIGGRGIHTSIRJS-ZETCQYMHSA-N 1 2 249.278 0.123 20 0 BCADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000829911879 587527743 /nfs/dbraw/zinc/52/77/43/587527743.db2.gz BCSWLBKJKOQZKR-NSHDSACASA-N 1 2 223.276 0.638 20 0 BCADLO CC1(C)OC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000830114965 587536844 /nfs/dbraw/zinc/53/68/44/587536844.db2.gz KDJVSOXNDFMFEF-MRVPVSSYSA-N 1 2 239.275 0.220 20 0 BCADLO C[C@H](C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830122416 587537394 /nfs/dbraw/zinc/53/73/94/587537394.db2.gz XBZJPFXBPKVVCQ-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO CON(C)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000830220687 587541605 /nfs/dbraw/zinc/54/16/05/587541605.db2.gz FPBGZVRDZPSTKN-UHFFFAOYSA-N 1 2 216.281 0.115 20 0 BCADLO CON(C)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000830220687 587541607 /nfs/dbraw/zinc/54/16/07/587541607.db2.gz FPBGZVRDZPSTKN-UHFFFAOYSA-N 1 2 216.281 0.115 20 0 BCADLO CC[C@H](C[C@@H](C)CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830393823 587548933 /nfs/dbraw/zinc/54/89/33/587548933.db2.gz SGVCGHJBDKXJHQ-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC000830461591 587551758 /nfs/dbraw/zinc/55/17/58/587551758.db2.gz AZRQBNBIQNCZEM-NXEZZACHSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](F)C2)CCO1 ZINC000830461591 587551759 /nfs/dbraw/zinc/55/17/59/587551759.db2.gz AZRQBNBIQNCZEM-NXEZZACHSA-N 1 2 230.283 0.278 20 0 BCADLO Cc1cc(CCNC(=O)Cn2cc[nH+]c2)nn1C ZINC000830621131 587560667 /nfs/dbraw/zinc/56/06/67/587560667.db2.gz AITSBDLLKTYWPC-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709037 587564872 /nfs/dbraw/zinc/56/48/72/587564872.db2.gz VQBKGIMGFVGZGA-VHSXEESVSA-N 1 2 225.288 0.945 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)CC2(CCC2)O1 ZINC000830709037 587564873 /nfs/dbraw/zinc/56/48/73/587564873.db2.gz VQBKGIMGFVGZGA-VHSXEESVSA-N 1 2 225.288 0.945 20 0 BCADLO Cc1cc(NC(=O)c2cn(C)c(=O)[nH]2)c(C)c[nH+]1 ZINC000830749201 587566887 /nfs/dbraw/zinc/56/68/87/587566887.db2.gz SLZWRNLLFIJIDI-UHFFFAOYSA-N 1 2 246.270 0.812 20 0 BCADLO C[C@@H](NC(=O)OC1CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000830908578 587576803 /nfs/dbraw/zinc/57/68/03/587576803.db2.gz LLDDBSKBZAKSDH-MWLCHTKSSA-N 1 2 242.319 0.984 20 0 BCADLO C[C@@H](NC(=O)OC1CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000830908578 587576804 /nfs/dbraw/zinc/57/68/04/587576804.db2.gz LLDDBSKBZAKSDH-MWLCHTKSSA-N 1 2 242.319 0.984 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000831037802 587583938 /nfs/dbraw/zinc/58/39/38/587583938.db2.gz CUAMLSCPELYUEG-UHFFFAOYSA-N 1 2 223.276 0.533 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000831037802 587583940 /nfs/dbraw/zinc/58/39/40/587583940.db2.gz CUAMLSCPELYUEG-UHFFFAOYSA-N 1 2 223.276 0.533 20 0 BCADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000831193112 587590840 /nfs/dbraw/zinc/59/08/40/587590840.db2.gz CVVSMUULTGYYPU-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000831215133 587591966 /nfs/dbraw/zinc/59/19/66/587591966.db2.gz BNRLJMPPAYZNJN-MRVPVSSYSA-N 1 2 225.317 0.916 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000831352819 587600340 /nfs/dbraw/zinc/60/03/40/587600340.db2.gz CPTHDGYWYQDXAI-ZJUUUORDSA-N 1 2 244.335 0.846 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000831367095 587601340 /nfs/dbraw/zinc/60/13/40/587601340.db2.gz HAYQLUNWZKDGSY-DTWKUNHWSA-N 1 2 223.276 0.182 20 0 BCADLO CCc1nnc([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000831442604 587607530 /nfs/dbraw/zinc/60/75/30/587607530.db2.gz AOVPXEXJLIOMGX-SSDOTTSWSA-N 1 2 248.290 0.510 20 0 BCADLO CCON(CC)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000831458622 587609857 /nfs/dbraw/zinc/60/98/57/587609857.db2.gz PFMYAIWJPXVHII-AATRIKPKSA-N 1 2 242.319 0.675 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1OC2CCC1CC2 ZINC000831503439 587614893 /nfs/dbraw/zinc/61/48/93/587614893.db2.gz JHYLZQOJYVQADW-SFVIPPHHSA-N 1 2 237.259 0.528 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000831947038 587637864 /nfs/dbraw/zinc/63/78/64/587637864.db2.gz CTHQEOUPYDQOKE-VHSXEESVSA-N 1 2 239.319 0.565 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000831947038 587637866 /nfs/dbraw/zinc/63/78/66/587637866.db2.gz CTHQEOUPYDQOKE-VHSXEESVSA-N 1 2 239.319 0.565 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000831947034 587637886 /nfs/dbraw/zinc/63/78/86/587637886.db2.gz CTHQEOUPYDQOKE-NXEZZACHSA-N 1 2 239.319 0.565 20 0 BCADLO O=C([O-])N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000831947034 587637888 /nfs/dbraw/zinc/63/78/88/587637888.db2.gz CTHQEOUPYDQOKE-NXEZZACHSA-N 1 2 239.319 0.565 20 0 BCADLO C[C@@H](O)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831997246 587642041 /nfs/dbraw/zinc/64/20/41/587642041.db2.gz XJGZOALVGNOUCJ-HTQZYQBOSA-N 1 2 211.265 0.228 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCC1=O ZINC000832460053 587661222 /nfs/dbraw/zinc/66/12/22/587661222.db2.gz GAXCUKIRVIMHOR-MRVPVSSYSA-N 1 2 221.260 0.390 20 0 BCADLO CC1=NO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000832517218 587664505 /nfs/dbraw/zinc/66/45/05/587664505.db2.gz FOCQYWXYVDCSNQ-ZJUUUORDSA-N 1 2 248.286 0.479 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000832521777 587664512 /nfs/dbraw/zinc/66/45/12/587664512.db2.gz GMDOENVKGDEHIA-HTQZYQBOSA-N 1 2 223.276 0.228 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC(F)(F)C[C@@H]1CO ZINC000832634111 587671016 /nfs/dbraw/zinc/67/10/16/587671016.db2.gz GULOGJPNXHDZMY-SSDOTTSWSA-N 1 2 245.229 0.181 20 0 BCADLO O=C([O-])NCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000832642298 587672041 /nfs/dbraw/zinc/67/20/41/587672041.db2.gz WXJJWRODMQAILU-UHFFFAOYSA-N 1 2 238.291 0.857 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000832708790 587678651 /nfs/dbraw/zinc/67/86/51/587678651.db2.gz QMCAWNOGGCFYGX-OPRDCNLKSA-N 1 2 237.303 0.977 20 0 BCADLO COC[C@](C)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000833721754 587729862 /nfs/dbraw/zinc/72/98/62/587729862.db2.gz GDRFUTFKUUXWGP-NSHDSACASA-N 1 2 241.291 0.353 20 0 BCADLO O=C([O-])N1CC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000834067894 587743795 /nfs/dbraw/zinc/74/37/95/587743795.db2.gz RHMGIAALSTYHDJ-SNVBAGLBSA-N 1 2 239.319 0.423 20 0 BCADLO O=C([O-])N1CC(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000834067894 587743797 /nfs/dbraw/zinc/74/37/97/587743797.db2.gz RHMGIAALSTYHDJ-SNVBAGLBSA-N 1 2 239.319 0.423 20 0 BCADLO O=C([O-])N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000834112581 587746690 /nfs/dbraw/zinc/74/66/90/587746690.db2.gz FIJYIFYVQJFMRO-UHFFFAOYSA-N 1 2 238.291 0.569 20 0 BCADLO O=C([O-])NCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000834240181 587749947 /nfs/dbraw/zinc/74/99/47/587749947.db2.gz SJHGRVJAVROKDU-VIFPVBQESA-N 1 2 238.291 0.857 20 0 BCADLO O=C([O-])NCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000834240181 587749948 /nfs/dbraw/zinc/74/99/48/587749948.db2.gz SJHGRVJAVROKDU-VIFPVBQESA-N 1 2 238.291 0.857 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCCO1 ZINC000834294315 587750520 /nfs/dbraw/zinc/75/05/20/587750520.db2.gz NAXQILJGFMIWEH-UHFFFAOYSA-N 1 2 209.249 0.896 20 0 BCADLO CO[C@@]1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834764655 587766300 /nfs/dbraw/zinc/76/63/00/587766300.db2.gz OJUGSFAAMSDUTR-LBPRGKRZSA-N 1 2 237.303 0.980 20 0 BCADLO O[C@H]1C[C@@H]([NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000834904651 587770292 /nfs/dbraw/zinc/77/02/92/587770292.db2.gz APHRNXFSAWGMBA-XKSSXDPKSA-N 1 2 207.277 0.900 20 0 BCADLO C[C@@H]1CN(C(=O)C(F)F)C[C@H](C)[N@H+]1CCO ZINC000836865302 587840450 /nfs/dbraw/zinc/84/04/50/587840450.db2.gz XVORMSVSSCSSRZ-OCAPTIKFSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@@H]1CN(C(=O)C(F)F)C[C@H](C)[N@@H+]1CCO ZINC000836865302 587840451 /nfs/dbraw/zinc/84/04/51/587840451.db2.gz XVORMSVSSCSSRZ-OCAPTIKFSA-N 1 2 236.262 0.165 20 0 BCADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C(C)(F)F ZINC000837185635 587858214 /nfs/dbraw/zinc/85/82/14/587858214.db2.gz CGQXQZRDJYFSBS-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C(C)(F)F ZINC000837185635 587858215 /nfs/dbraw/zinc/85/82/15/587858215.db2.gz CGQXQZRDJYFSBS-QMMMGPOBSA-N 1 2 236.262 0.167 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)c1cncc(O)c1 ZINC000837517764 587879638 /nfs/dbraw/zinc/87/96/38/587879638.db2.gz UECMXACPSGIVKM-UHFFFAOYSA-N 1 2 247.254 0.920 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000837544485 587881074 /nfs/dbraw/zinc/88/10/74/587881074.db2.gz KPVOKPRXKRSTNG-UHFFFAOYSA-N 1 2 235.287 0.650 20 0 BCADLO CC[C@H](O)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000837812286 587897460 /nfs/dbraw/zinc/89/74/60/587897460.db2.gz ZYDRQLCIWVNQKD-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@H](O)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000837812285 587897564 /nfs/dbraw/zinc/89/75/64/587897564.db2.gz ZYDRQLCIWVNQKD-MNOVXSKESA-N 1 2 245.319 0.411 20 0 BCADLO O=C1CCCN1C[NH+]1CCSCC1 ZINC000104053026 587929225 /nfs/dbraw/zinc/92/92/25/587929225.db2.gz IMUYPWUHWJZUSU-UHFFFAOYSA-N 1 2 200.307 0.615 20 0 BCADLO Cc1occc1C[N@@H+]1CCCNC(=O)C1 ZINC000840911860 587929308 /nfs/dbraw/zinc/92/93/08/587929308.db2.gz BGESGNKJQBYNOZ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO Cc1occc1C[N@H+]1CCCNC(=O)C1 ZINC000840911860 587929310 /nfs/dbraw/zinc/92/93/10/587929310.db2.gz BGESGNKJQBYNOZ-UHFFFAOYSA-N 1 2 208.261 0.910 20 0 BCADLO CC[C@H](CO[NH+]=C(N)CN1CCOCC1)OC ZINC000842030048 587987973 /nfs/dbraw/zinc/98/79/73/587987973.db2.gz YEFVBZOJDDJYAN-SNVBAGLBSA-N 1 2 245.323 0.242 20 0 BCADLO CCn1cc(CCO[NH+]=C(N)[C@@H](C)OC)cn1 ZINC000842036238 587991976 /nfs/dbraw/zinc/99/19/76/587991976.db2.gz JNUQGUIZFOPBRQ-SECBINFHSA-N 1 2 240.307 0.979 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C(=O)N(C)C)C(C)C ZINC000842037226 587992232 /nfs/dbraw/zinc/99/22/32/587992232.db2.gz UOGMLZCZRMTYCK-RKDXNWHRSA-N 1 2 245.323 0.633 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000842634852 588045248 /nfs/dbraw/zinc/04/52/48/588045248.db2.gz HXXSHLBTWACWPW-VHSXEESVSA-N 1 2 241.335 0.126 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000842634852 588045249 /nfs/dbraw/zinc/04/52/49/588045249.db2.gz HXXSHLBTWACWPW-VHSXEESVSA-N 1 2 241.335 0.126 20 0 BCADLO COC[C@H](C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655349 588045634 /nfs/dbraw/zinc/04/56/34/588045634.db2.gz DSWXPJUFFLCRCQ-VHSXEESVSA-N 1 2 246.307 0.715 20 0 BCADLO COC[C@@H](C)O[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655350 588045756 /nfs/dbraw/zinc/04/57/56/588045756.db2.gz DSWXPJUFFLCRCQ-ZJUUUORDSA-N 1 2 246.307 0.715 20 0 BCADLO c1nncn1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842621138 588046360 /nfs/dbraw/zinc/04/63/60/588046360.db2.gz YBVNRKGCBOHLNC-JTQLQIEISA-N 1 2 240.332 0.444 20 0 BCADLO c1nncn1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842621138 588046362 /nfs/dbraw/zinc/04/63/62/588046362.db2.gz YBVNRKGCBOHLNC-JTQLQIEISA-N 1 2 240.332 0.444 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCC[S@](C)=O)C1 ZINC000842652760 588049444 /nfs/dbraw/zinc/04/94/44/588049444.db2.gz AVAHQDOIHADAMB-XPTSAGLGSA-N 1 2 237.390 0.429 20 0 BCADLO C[N@H+]1CCO[C@H](CSCC[S@](C)=O)C1 ZINC000842652760 588049446 /nfs/dbraw/zinc/04/94/46/588049446.db2.gz AVAHQDOIHADAMB-XPTSAGLGSA-N 1 2 237.390 0.429 20 0 BCADLO C[N@@H+]1CCO[C@H](CSCC[S@@](C)=O)C1 ZINC000842652755 588049755 /nfs/dbraw/zinc/04/97/55/588049755.db2.gz AVAHQDOIHADAMB-LKFCYVNXSA-N 1 2 237.390 0.429 20 0 BCADLO C[N@H+]1CCO[C@H](CSCC[S@@](C)=O)C1 ZINC000842652755 588049757 /nfs/dbraw/zinc/04/97/57/588049757.db2.gz AVAHQDOIHADAMB-LKFCYVNXSA-N 1 2 237.390 0.429 20 0 BCADLO COCCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658379 588050112 /nfs/dbraw/zinc/05/01/12/588050112.db2.gz XIBYSZTXTHTVCP-SNVBAGLBSA-N 1 2 246.307 0.717 20 0 BCADLO NC(COC[C@H]1CCCO1)=[NH+]O[C@@H]1CCOC1 ZINC000842657631 588050390 /nfs/dbraw/zinc/05/03/90/588050390.db2.gz UQIAJSXFJHWSSB-NXEZZACHSA-N 1 2 244.291 0.469 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1ccc(N)nc1 ZINC000843059793 588077940 /nfs/dbraw/zinc/07/79/40/588077940.db2.gz NWVBTZQBXVWYSH-UHFFFAOYSA-N 1 2 223.276 0.659 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1ccc(N)nc1 ZINC000843059793 588077941 /nfs/dbraw/zinc/07/79/41/588077941.db2.gz NWVBTZQBXVWYSH-UHFFFAOYSA-N 1 2 223.276 0.659 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(F)CC1 ZINC000843586352 588126667 /nfs/dbraw/zinc/12/66/67/588126667.db2.gz AYXZEYOQFSKLNT-JTQLQIEISA-N 1 2 244.310 0.668 20 0 BCADLO C[C@@H](O)C[NH+]1CCN(C(=O)C2(F)CC2)CC1 ZINC000843790000 588140195 /nfs/dbraw/zinc/14/01/95/588140195.db2.gz DFUWKCVUJRGQQY-SECBINFHSA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H](O)C[NH+]1CCN(C(=O)C2(F)CC2)CC1 ZINC000843790001 588140369 /nfs/dbraw/zinc/14/03/69/588140369.db2.gz DFUWKCVUJRGQQY-VIFPVBQESA-N 1 2 230.283 0.014 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C1(F)CC1 ZINC000843851930 588142461 /nfs/dbraw/zinc/14/24/61/588142461.db2.gz OZMYEZFVMQMNMB-UHFFFAOYSA-N 1 2 211.240 0.581 20 0 BCADLO C/C=C(/C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883790 588147307 /nfs/dbraw/zinc/14/73/07/588147307.db2.gz KCRGBZNRVRYPOH-DAXSKMNVSA-N 1 2 220.276 0.950 20 0 BCADLO CS/C=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000843885457 588147873 /nfs/dbraw/zinc/14/78/73/588147873.db2.gz YTPZEUWZVWYGTI-ARJAWSKDSA-N 1 2 238.316 0.860 20 0 BCADLO CCCONC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000844086407 588164362 /nfs/dbraw/zinc/16/43/62/588164362.db2.gz ZQRQOFVWDSJAJI-JTQLQIEISA-N 1 2 230.308 0.413 20 0 BCADLO O=C(NOCC(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC000844137829 588169889 /nfs/dbraw/zinc/16/98/89/588169889.db2.gz AVOZYLFMRMZKLW-ZETCQYMHSA-N 1 2 245.229 0.758 20 0 BCADLO Cc1nnsc1CO[NH+]=C(N)CCO ZINC000844238305 588176703 /nfs/dbraw/zinc/17/67/03/588176703.db2.gz CJGCRSRQQYJXSU-UHFFFAOYSA-N 1 2 216.266 0.227 20 0 BCADLO C[C@@H]1CC[C@H]([N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333203 588185478 /nfs/dbraw/zinc/18/54/78/588185478.db2.gz GNJJBQSLGMPFNK-ZJUUUORDSA-N 1 2 236.319 0.775 20 0 BCADLO C[C@@H]1CC[C@H]([N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000844333203 588185479 /nfs/dbraw/zinc/18/54/79/588185479.db2.gz GNJJBQSLGMPFNK-ZJUUUORDSA-N 1 2 236.319 0.775 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402373 588190181 /nfs/dbraw/zinc/19/01/81/588190181.db2.gz QCLMIMUCBCSSHK-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402373 588190183 /nfs/dbraw/zinc/19/01/83/588190183.db2.gz QCLMIMUCBCSSHK-HBNTYKKESA-N 1 2 245.319 0.410 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC000844431876 588192406 /nfs/dbraw/zinc/19/24/06/588192406.db2.gz YDSSXTFIZUTXRB-FCVDJWKTSA-N 1 2 205.710 0.944 20 0 BCADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC000844431876 588192407 /nfs/dbraw/zinc/19/24/07/588192407.db2.gz YDSSXTFIZUTXRB-FCVDJWKTSA-N 1 2 205.710 0.944 20 0 BCADLO C[C@@H](CC(=O)OCc1ncnn1C)n1cc[nH+]c1 ZINC000844476914 588198634 /nfs/dbraw/zinc/19/86/34/588198634.db2.gz NMJWIFWKIMNZFY-VIFPVBQESA-N 1 2 249.274 0.706 20 0 BCADLO C[C@@H](CC(=O)NCc1cnn(C)n1)n1cc[nH+]c1 ZINC000844534019 588200853 /nfs/dbraw/zinc/20/08/53/588200853.db2.gz FWNRJZBXZIJVDW-VIFPVBQESA-N 1 2 248.290 0.279 20 0 BCADLO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c(=O)n1C ZINC000844677461 588213462 /nfs/dbraw/zinc/21/34/62/588213462.db2.gz TTWDFONUMGTNDV-SECBINFHSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c(=O)n1C ZINC000844677461 588213464 /nfs/dbraw/zinc/21/34/64/588213464.db2.gz TTWDFONUMGTNDV-SECBINFHSA-N 1 2 224.308 0.580 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCc1cc2n(n1)CCC2 ZINC000844765109 588216408 /nfs/dbraw/zinc/21/64/08/588216408.db2.gz RTGJNBHGONVKMD-MRVPVSSYSA-N 1 2 238.291 0.863 20 0 BCADLO Cc1nonc1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000845207505 588223465 /nfs/dbraw/zinc/22/34/65/588223465.db2.gz DZTUPXOKGWONMO-MRVPVSSYSA-N 1 2 249.274 0.322 20 0 BCADLO C[C@H](CCO)N(C)C(=O)NCc1c[nH+]cn1C ZINC000845199757 588223550 /nfs/dbraw/zinc/22/35/50/588223550.db2.gz CKPBADZVTSJPBC-SECBINFHSA-N 1 2 240.307 0.332 20 0 BCADLO COC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280153 588225312 /nfs/dbraw/zinc/22/53/12/588225312.db2.gz SLVXERVQHFCSJX-IUCAKERBSA-N 1 2 240.259 0.939 20 0 BCADLO COC[C@@H](C)OC(=O)NCCc1cn(C)c[nH+]1 ZINC000867383373 588226850 /nfs/dbraw/zinc/22/68/50/588226850.db2.gz WFCWLWONTUODHG-SECBINFHSA-N 1 2 241.291 0.724 20 0 BCADLO C[C@@H](CC(=O)OCCC(N)=O)n1cc[nH+]c1 ZINC000845499305 588230898 /nfs/dbraw/zinc/23/08/98/588230898.db2.gz SLJCGLYANFBQIZ-QMMMGPOBSA-N 1 2 225.248 0.253 20 0 BCADLO Cc1nonc1CC(=O)NCc1[nH]c[nH+]c1C ZINC000845696096 588241753 /nfs/dbraw/zinc/24/17/53/588241753.db2.gz DKGMFKHQDPPKLK-UHFFFAOYSA-N 1 2 235.247 0.268 20 0 BCADLO O[C@@H](C[N@@H+]1CCC2(C1)OCCO2)C(F)(F)F ZINC000121585923 588244201 /nfs/dbraw/zinc/24/42/01/588244201.db2.gz HSMMXKGDERXBJR-ZETCQYMHSA-N 1 2 241.209 0.358 20 0 BCADLO O[C@@H](C[N@H+]1CCC2(C1)OCCO2)C(F)(F)F ZINC000121585923 588244202 /nfs/dbraw/zinc/24/42/02/588244202.db2.gz HSMMXKGDERXBJR-ZETCQYMHSA-N 1 2 241.209 0.358 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845961730 588252075 /nfs/dbraw/zinc/25/20/75/588252075.db2.gz OKSRPQXKSBTRAM-BRNRAETOSA-N 1 2 249.314 0.907 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000846080729 588255489 /nfs/dbraw/zinc/25/54/89/588255489.db2.gz JSTVCHNDKDELAS-SNVBAGLBSA-N 1 2 242.319 0.745 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000846084515 588255896 /nfs/dbraw/zinc/25/58/96/588255896.db2.gz FEASODXFZDJCBJ-NXEZZACHSA-N 1 2 230.308 0.601 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000846086288 588256048 /nfs/dbraw/zinc/25/60/48/588256048.db2.gz NMJXPVFVBPYCGO-WDEREUQCSA-N 1 2 244.335 0.847 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000846090787 588256114 /nfs/dbraw/zinc/25/61/14/588256114.db2.gz DRQORVLUQRTGDZ-VHSXEESVSA-N 1 2 230.308 0.459 20 0 BCADLO CCONC(=O)C[NH2+]C1CC(C)(C)C1 ZINC000846090633 588256249 /nfs/dbraw/zinc/25/62/49/588256249.db2.gz CBTGCNUYONLKSY-UHFFFAOYSA-N 1 2 200.282 0.832 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccoc1 ZINC000846103648 588256522 /nfs/dbraw/zinc/25/65/22/588256522.db2.gz TVNIAZRDEZAXEZ-PKFCDNJMSA-N 1 2 211.286 0.985 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccoc1 ZINC000846103648 588256523 /nfs/dbraw/zinc/25/65/23/588256523.db2.gz TVNIAZRDEZAXEZ-PKFCDNJMSA-N 1 2 211.286 0.985 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nn1 ZINC000846103077 588256532 /nfs/dbraw/zinc/25/65/32/588256532.db2.gz LLLMZHXBYUEJSP-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nn1 ZINC000846103077 588256533 /nfs/dbraw/zinc/25/65/33/588256533.db2.gz LLLMZHXBYUEJSP-MMPTUQATSA-N 1 2 237.328 0.490 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000846127172 588258107 /nfs/dbraw/zinc/25/81/07/588258107.db2.gz UCFXFYMLBXKUEI-VQNWOSHQSA-N 1 2 249.314 0.907 20 0 BCADLO CCn1ccc(CC(=O)NOCC[NH+](C)C)n1 ZINC000846232949 588261874 /nfs/dbraw/zinc/26/18/74/588261874.db2.gz XQQYAYNKTSYNHN-UHFFFAOYSA-N 1 2 240.307 0.055 20 0 BCADLO C[NH+]1CCC(ONC(=O)[C@@]2(C)CCOC2)CC1 ZINC000846649084 588280963 /nfs/dbraw/zinc/28/09/63/588280963.db2.gz AZWZFSDTCNSARJ-LBPRGKRZSA-N 1 2 242.319 0.555 20 0 BCADLO C[C@H](CC(=O)NN1CCCC1)n1cc[nH+]c1 ZINC000846655644 588281232 /nfs/dbraw/zinc/28/12/32/588281232.db2.gz QUMIUEVOLWRKEM-SNVBAGLBSA-N 1 2 222.292 0.961 20 0 BCADLO CNC(=O)CCC[N@H+](C)Cc1cnsn1 ZINC000846835635 588291958 /nfs/dbraw/zinc/29/19/58/588291958.db2.gz YNBZPFYCHJBUBC-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO CNC(=O)CCC[N@@H+](C)Cc1cnsn1 ZINC000846835635 588291959 /nfs/dbraw/zinc/29/19/59/588291959.db2.gz YNBZPFYCHJBUBC-UHFFFAOYSA-N 1 2 228.321 0.496 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cnsn1)[C@H](C)CO ZINC000846868688 588294468 /nfs/dbraw/zinc/29/44/68/588294468.db2.gz HOSNKEHEOUNHFE-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cnsn1)[C@H](C)CO ZINC000846868688 588294469 /nfs/dbraw/zinc/29/44/69/588294469.db2.gz HOSNKEHEOUNHFE-HTQZYQBOSA-N 1 2 231.321 0.102 20 0 BCADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2cnsn2)C1 ZINC000846882368 588295094 /nfs/dbraw/zinc/29/50/94/588295094.db2.gz JKVMECJSQCRUKB-SECBINFHSA-N 1 2 226.305 0.235 20 0 BCADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cnsn2)C1 ZINC000846882368 588295095 /nfs/dbraw/zinc/29/50/95/588295095.db2.gz JKVMECJSQCRUKB-SECBINFHSA-N 1 2 226.305 0.235 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CC[C@@H](F)C2)OC1=O ZINC000846935725 588295377 /nfs/dbraw/zinc/29/53/77/588295377.db2.gz KIDCOUISHLZSNP-RKDXNWHRSA-N 1 2 216.256 0.871 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CC[C@@H](F)C2)OC1=O ZINC000846935725 588295378 /nfs/dbraw/zinc/29/53/78/588295378.db2.gz KIDCOUISHLZSNP-RKDXNWHRSA-N 1 2 216.256 0.871 20 0 BCADLO CCN1C[C@@H](C[N@@H+]2CC[C@@](F)(CO)C2)OC1=O ZINC000846896281 588296112 /nfs/dbraw/zinc/29/61/12/588296112.db2.gz WAZHTVHNCDQHOB-KOLCDFICSA-N 1 2 246.282 0.233 20 0 BCADLO CCN1C[C@@H](C[N@H+]2CC[C@@](F)(CO)C2)OC1=O ZINC000846896281 588296113 /nfs/dbraw/zinc/29/61/13/588296113.db2.gz WAZHTVHNCDQHOB-KOLCDFICSA-N 1 2 246.282 0.233 20 0 BCADLO Cc1nonc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000846921329 588296900 /nfs/dbraw/zinc/29/69/00/588296900.db2.gz SWDFLCAYVLLHGK-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO Cc1nonc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000846921329 588296901 /nfs/dbraw/zinc/29/69/01/588296901.db2.gz SWDFLCAYVLLHGK-SECBINFHSA-N 1 2 238.291 0.431 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CC[C@@H](F)C2)OC1=O ZINC000846935720 588297441 /nfs/dbraw/zinc/29/74/41/588297441.db2.gz KIDCOUISHLZSNP-BDAKNGLRSA-N 1 2 216.256 0.871 20 0 BCADLO CCN1C[C@H](C[N@H+]2CC[C@@H](F)C2)OC1=O ZINC000846935720 588297442 /nfs/dbraw/zinc/29/74/42/588297442.db2.gz KIDCOUISHLZSNP-BDAKNGLRSA-N 1 2 216.256 0.871 20 0 BCADLO COC(=O)[C@@H](CC(C)C)[NH+]1CCN(OC)CC1 ZINC000846972872 588298494 /nfs/dbraw/zinc/29/84/94/588298494.db2.gz SWJCEQZOTDEGII-LLVKDONJSA-N 1 2 244.335 0.753 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000846961705 588298766 /nfs/dbraw/zinc/29/87/66/588298766.db2.gz PIEHMCBXUWSSDI-VHSXEESVSA-N 1 2 229.320 0.935 20 0 BCADLO CON1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000846975589 588299511 /nfs/dbraw/zinc/29/95/11/588299511.db2.gz JAQGKOLPAVPCPT-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CON1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000846979213 588300119 /nfs/dbraw/zinc/30/01/19/588300119.db2.gz DQJDOIICDOSAGK-GFCCVEGCSA-N 1 2 249.314 0.392 20 0 BCADLO CCC(C)(C)NC(=O)C[NH+]1CCN(OC)CC1 ZINC000846982572 588300175 /nfs/dbraw/zinc/30/01/75/588300175.db2.gz MGTLQRNXAFBNEZ-UHFFFAOYSA-N 1 2 243.351 0.470 20 0 BCADLO CCCCCNC(=O)C[NH+]1CCN(OC)CC1 ZINC000846984219 588300242 /nfs/dbraw/zinc/30/02/42/588300242.db2.gz UQGKINODDJTBFP-UHFFFAOYSA-N 1 2 243.351 0.472 20 0 BCADLO Cn1cnnc1N1CC[NH+](C/C=C/Cl)CC1 ZINC000847039587 588304731 /nfs/dbraw/zinc/30/47/31/588304731.db2.gz NHRHQJJNFNDKEB-NSCUHMNNSA-N 1 2 241.726 0.690 20 0 BCADLO Cc1noc(C[N@H+](C)CCC2OCCO2)n1 ZINC000847090661 588306155 /nfs/dbraw/zinc/30/61/55/588306155.db2.gz ADANXEFMFNHXBO-UHFFFAOYSA-N 1 2 227.264 0.573 20 0 BCADLO Cc1noc(C[N@@H+](C)CCC2OCCO2)n1 ZINC000847090661 588306156 /nfs/dbraw/zinc/30/61/56/588306156.db2.gz ADANXEFMFNHXBO-UHFFFAOYSA-N 1 2 227.264 0.573 20 0 BCADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000847161718 588308050 /nfs/dbraw/zinc/30/80/50/588308050.db2.gz VBVXUMHCAFQMJL-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC2(C)OCCO2)C1 ZINC000847601559 588318382 /nfs/dbraw/zinc/31/83/82/588318382.db2.gz XJOSSFGFJAPKPA-UHFFFAOYSA-N 1 2 242.319 0.207 20 0 BCADLO CCOCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847753261 588329219 /nfs/dbraw/zinc/32/92/19/588329219.db2.gz CXJKHKJNOMRQCO-VIFPVBQESA-N 1 2 241.291 0.673 20 0 BCADLO CCOCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847753261 588329221 /nfs/dbraw/zinc/32/92/21/588329221.db2.gz CXJKHKJNOMRQCO-VIFPVBQESA-N 1 2 241.291 0.673 20 0 BCADLO COCCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848068649 588352680 /nfs/dbraw/zinc/35/26/80/588352680.db2.gz MNFTZENHSOXWAC-VIFPVBQESA-N 1 2 241.291 0.673 20 0 BCADLO COCCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848068649 588352682 /nfs/dbraw/zinc/35/26/82/588352682.db2.gz MNFTZENHSOXWAC-VIFPVBQESA-N 1 2 241.291 0.673 20 0 BCADLO COCOCCCNC(=O)Cn1cc[nH+]c1 ZINC000848165878 588363124 /nfs/dbraw/zinc/36/31/24/588363124.db2.gz CRDKGTPRQVJEDS-UHFFFAOYSA-N 1 2 227.264 0.010 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C1=COCC1 ZINC000848174218 588364617 /nfs/dbraw/zinc/36/46/17/588364617.db2.gz GHAQLPUVXHVALC-UHFFFAOYSA-N 1 2 221.260 0.823 20 0 BCADLO Cc1nonc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387527 588375697 /nfs/dbraw/zinc/37/56/97/588375697.db2.gz VGJQQMZHPHXLBW-ZCFIWIBFSA-N 1 2 221.220 0.592 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@@H]2COC(=O)C2)[nH+]1 ZINC000848709381 588407259 /nfs/dbraw/zinc/40/72/59/588407259.db2.gz PTJXHFIRAHPUPJ-ZETCQYMHSA-N 1 2 232.243 0.994 20 0 BCADLO COC(=O)NCCNc1nc[nH+]c(C)c1OC ZINC000848719995 588408716 /nfs/dbraw/zinc/40/87/16/588408716.db2.gz QRXQHSBNKOZLSQ-UHFFFAOYSA-N 1 2 240.263 0.562 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C(N)=O)ccn12 ZINC000848780653 588413431 /nfs/dbraw/zinc/41/34/31/588413431.db2.gz UACWIGIYCYKXST-QMMMGPOBSA-N 1 2 247.254 0.673 20 0 BCADLO CNC(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780388 588413433 /nfs/dbraw/zinc/41/34/33/588413433.db2.gz QYWLGZOVOSLKDB-UHFFFAOYSA-N 1 2 247.254 0.546 20 0 BCADLO Cn1c(C[N@H+](C)[C@@H]2CCNC2=O)cnc1Cl ZINC000848889469 588417575 /nfs/dbraw/zinc/41/75/75/588417575.db2.gz JNMIVPQMTQFKPO-MRVPVSSYSA-N 1 2 242.710 0.394 20 0 BCADLO Cn1c(C[N@@H+](C)[C@@H]2CCNC2=O)cnc1Cl ZINC000848889469 588417576 /nfs/dbraw/zinc/41/75/76/588417576.db2.gz JNMIVPQMTQFKPO-MRVPVSSYSA-N 1 2 242.710 0.394 20 0 BCADLO CCn1ncc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000848928459 588419146 /nfs/dbraw/zinc/41/91/46/588419146.db2.gz DVRAQDUQFRUDDI-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000848928459 588419148 /nfs/dbraw/zinc/41/91/48/588419148.db2.gz DVRAQDUQFRUDDI-VIFPVBQESA-N 1 2 224.308 0.643 20 0 BCADLO c1nnn2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000848921463 588420694 /nfs/dbraw/zinc/42/06/94/588420694.db2.gz BLCHQSVBDJNVCD-NSHDSACASA-N 1 2 220.276 0.786 20 0 BCADLO c1nnn2c1C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000848921463 588420695 /nfs/dbraw/zinc/42/06/95/588420695.db2.gz BLCHQSVBDJNVCD-NSHDSACASA-N 1 2 220.276 0.786 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000849049310 588451371 /nfs/dbraw/zinc/45/13/71/588451371.db2.gz QIRIMPUFMVOYKY-UHFFFAOYSA-N 1 2 242.323 0.454 20 0 BCADLO C[NH+]1CCN(NC(=S)NCC2CC2)CC1 ZINC000849251578 588464673 /nfs/dbraw/zinc/46/46/73/588464673.db2.gz MYMDYWJFWKYSEO-UHFFFAOYSA-N 1 2 228.365 0.023 20 0 BCADLO COC[C@@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC000849733099 588490981 /nfs/dbraw/zinc/49/09/81/588490981.db2.gz OOGYIDLLBNSKEX-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@@H](COC(=O)[C@@H]1CCCC[N@H+]1C)OC ZINC000849733099 588490982 /nfs/dbraw/zinc/49/09/82/588490982.db2.gz OOGYIDLLBNSKEX-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCn1nc(C)c(C[NH2+]C/C=C\CO)n1 ZINC000850358020 588539503 /nfs/dbraw/zinc/53/95/03/588539503.db2.gz ZFSKKXYWQPKTTE-PLNGDYQASA-N 1 2 210.281 0.245 20 0 BCADLO CON(C)CC[NH2+][C@H](C)c1cn[nH]c1C ZINC000850478986 588548215 /nfs/dbraw/zinc/54/82/15/588548215.db2.gz JIYCNHRBLIXTDM-MRVPVSSYSA-N 1 2 212.297 0.862 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CC[C@H]2C)[nH]1 ZINC000850514853 588555795 /nfs/dbraw/zinc/55/57/95/588555795.db2.gz QQYQBRDKKMSGRT-HTQZYQBOSA-N 1 2 210.281 0.839 20 0 BCADLO Nc1ccc(NC(=O)C(=O)N[C@H]2C=CCC2)c[nH+]1 ZINC000850834477 588569369 /nfs/dbraw/zinc/56/93/69/588569369.db2.gz JWVWSWDDHNKXPL-QMMMGPOBSA-N 1 2 246.270 0.437 20 0 BCADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851710948 588615299 /nfs/dbraw/zinc/61/52/99/588615299.db2.gz RSSAKHDCVQSCJQ-CMPLNLGQSA-N 1 2 222.288 0.836 20 0 BCADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851710948 588615300 /nfs/dbraw/zinc/61/53/00/588615300.db2.gz RSSAKHDCVQSCJQ-CMPLNLGQSA-N 1 2 222.288 0.836 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851714819 588615608 /nfs/dbraw/zinc/61/56/08/588615608.db2.gz ULLVYIPPJOFGQC-VIFPVBQESA-N 1 2 239.275 0.845 20 0 BCADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851714819 588615609 /nfs/dbraw/zinc/61/56/09/588615609.db2.gz ULLVYIPPJOFGQC-VIFPVBQESA-N 1 2 239.275 0.845 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cnon1 ZINC000851728782 588618934 /nfs/dbraw/zinc/61/89/34/588618934.db2.gz SDVJLOUUOSNKMN-ZETCQYMHSA-N 1 2 213.237 0.311 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cnon1 ZINC000851728782 588618935 /nfs/dbraw/zinc/61/89/35/588618935.db2.gz SDVJLOUUOSNKMN-ZETCQYMHSA-N 1 2 213.237 0.311 20 0 BCADLO C[C@H](O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851768237 588624871 /nfs/dbraw/zinc/62/48/71/588624871.db2.gz HBWUSGGVTOXATL-QMMMGPOBSA-N 1 2 211.265 0.662 20 0 BCADLO CC1(C)OC[C@@H](CC[NH+]2CCS(=O)CC2)O1 ZINC000851766920 588625075 /nfs/dbraw/zinc/62/50/75/588625075.db2.gz QNLJUOPHNUHRQY-SNVBAGLBSA-N 1 2 247.360 0.592 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851778168 588626788 /nfs/dbraw/zinc/62/67/88/588626788.db2.gz DZTBRRJNLMGRFD-VHSXEESVSA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851778168 588626789 /nfs/dbraw/zinc/62/67/89/588626789.db2.gz DZTBRRJNLMGRFD-VHSXEESVSA-N 1 2 242.319 0.348 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851779432 588627195 /nfs/dbraw/zinc/62/71/95/588627195.db2.gz NACSTUPZBXACLX-TWTBIMQBSA-N 1 2 245.344 0.533 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851779432 588627196 /nfs/dbraw/zinc/62/71/96/588627196.db2.gz NACSTUPZBXACLX-TWTBIMQBSA-N 1 2 245.344 0.533 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851810534 588632878 /nfs/dbraw/zinc/63/28/78/588632878.db2.gz IJPHNBAZKXCZHF-VHSXEESVSA-N 1 2 243.303 0.964 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851810534 588632879 /nfs/dbraw/zinc/63/28/79/588632879.db2.gz IJPHNBAZKXCZHF-VHSXEESVSA-N 1 2 243.303 0.964 20 0 BCADLO c1nonc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000851816456 588633096 /nfs/dbraw/zinc/63/30/96/588633096.db2.gz HEHHMTYGKJQHSR-NXEZZACHSA-N 1 2 241.316 0.776 20 0 BCADLO c1nonc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000851816456 588633097 /nfs/dbraw/zinc/63/30/97/588633097.db2.gz HEHHMTYGKJQHSR-NXEZZACHSA-N 1 2 241.316 0.776 20 0 BCADLO CNC(=O)C1([NH2+]Cc2cnon2)CCCC1 ZINC000851844366 588634756 /nfs/dbraw/zinc/63/47/56/588634756.db2.gz VPPYAVRBDKYYCQ-UHFFFAOYSA-N 1 2 224.264 0.218 20 0 BCADLO CCn1ncc(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000851862711 588636477 /nfs/dbraw/zinc/63/64/77/588636477.db2.gz DWCCXHKYRGUSJH-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCn1ncc(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000851862711 588636478 /nfs/dbraw/zinc/63/64/78/588636478.db2.gz DWCCXHKYRGUSJH-UHFFFAOYSA-N 1 2 232.291 0.579 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2CCOC[C@H](C)C2)C1=O ZINC000851866105 588636861 /nfs/dbraw/zinc/63/68/61/588636861.db2.gz KHVOQXZABNYDJM-NXEZZACHSA-N 1 2 228.292 0.117 20 0 BCADLO CCN1OC[C@@H]([N@H+]2CCOC[C@H](C)C2)C1=O ZINC000851866105 588636862 /nfs/dbraw/zinc/63/68/62/588636862.db2.gz KHVOQXZABNYDJM-NXEZZACHSA-N 1 2 228.292 0.117 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CCOC(F)F ZINC000851871088 588637018 /nfs/dbraw/zinc/63/70/18/588637018.db2.gz MRPDSNBDGLNXNJ-UHFFFAOYSA-N 1 2 245.291 0.592 20 0 BCADLO CCN1CC[C@H]([N@@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000851876459 588637919 /nfs/dbraw/zinc/63/79/19/588637919.db2.gz FRFOLUWAYMOCBS-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[C@H]([N@H+]2CCN(C)[C@@H](C)C2)C1=O ZINC000851876459 588637920 /nfs/dbraw/zinc/63/79/20/588637920.db2.gz FRFOLUWAYMOCBS-QWRGUYRKSA-N 1 2 225.336 0.243 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851885153 588639882 /nfs/dbraw/zinc/63/98/82/588639882.db2.gz XINKITCVUIIMBQ-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851885153 588639883 /nfs/dbraw/zinc/63/98/83/588639883.db2.gz XINKITCVUIIMBQ-VHSXEESVSA-N 1 2 240.303 0.293 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000851884734 588639970 /nfs/dbraw/zinc/63/99/70/588639970.db2.gz AMWMZFUPEZUVGU-WPRPVWTQSA-N 1 2 210.281 0.111 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000851884734 588639971 /nfs/dbraw/zinc/63/99/71/588639971.db2.gz AMWMZFUPEZUVGU-WPRPVWTQSA-N 1 2 210.281 0.111 20 0 BCADLO OC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851894276 588641661 /nfs/dbraw/zinc/64/16/61/588641661.db2.gz XYURWCZJJOOJNG-LLVKDONJSA-N 1 2 219.244 0.893 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)n(C)n1 ZINC000851922547 588643301 /nfs/dbraw/zinc/64/33/01/588643301.db2.gz JLTIMWQSKCYEOY-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)n(C)n1 ZINC000851922547 588643302 /nfs/dbraw/zinc/64/33/02/588643302.db2.gz JLTIMWQSKCYEOY-QLJPJBMISA-N 1 2 243.376 0.927 20 0 BCADLO CCN1CC[N@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000851934348 588645373 /nfs/dbraw/zinc/64/53/73/588645373.db2.gz IZRUYUQUTHUZKX-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CCN1CC[N@@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000851934348 588645374 /nfs/dbraw/zinc/64/53/74/588645374.db2.gz IZRUYUQUTHUZKX-JTQLQIEISA-N 1 2 242.319 0.302 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935987 588645825 /nfs/dbraw/zinc/64/58/25/588645825.db2.gz HVJBMRRPODFMKX-BDAKNGLRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000851935987 588645826 /nfs/dbraw/zinc/64/58/26/588645826.db2.gz HVJBMRRPODFMKX-BDAKNGLRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935987 588645827 /nfs/dbraw/zinc/64/58/27/588645827.db2.gz HVJBMRRPODFMKX-BDAKNGLRSA-N 1 2 238.291 0.367 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000851935987 588645828 /nfs/dbraw/zinc/64/58/28/588645828.db2.gz HVJBMRRPODFMKX-BDAKNGLRSA-N 1 2 238.291 0.367 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000851967871 588648590 /nfs/dbraw/zinc/64/85/90/588648590.db2.gz GZQPJKMRNHBMNF-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000851967871 588648591 /nfs/dbraw/zinc/64/85/91/588648591.db2.gz GZQPJKMRNHBMNF-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC(OC)OC)C1CC1 ZINC000851967409 588648733 /nfs/dbraw/zinc/64/87/33/588648733.db2.gz YXRAATDFUKXUEA-JTQLQIEISA-N 1 2 231.292 0.537 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000851967873 588648788 /nfs/dbraw/zinc/64/87/88/588648788.db2.gz GZQPJKMRNHBMNF-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000851967873 588648789 /nfs/dbraw/zinc/64/87/89/588648789.db2.gz GZQPJKMRNHBMNF-NSHDSACASA-N 1 2 238.335 0.891 20 0 BCADLO CC1(C)C[N@H+](Cc2cnon2)CC[C@H]1O ZINC000851969290 588649249 /nfs/dbraw/zinc/64/92/49/588649249.db2.gz ZDDXUQNZIJWJLP-SECBINFHSA-N 1 2 211.265 0.662 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnon2)CC[C@H]1O ZINC000851969290 588649250 /nfs/dbraw/zinc/64/92/50/588649250.db2.gz ZDDXUQNZIJWJLP-SECBINFHSA-N 1 2 211.265 0.662 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1cnon1 ZINC000851974323 588649983 /nfs/dbraw/zinc/64/99/83/588649983.db2.gz BIKCIROOVXXWNU-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1cnon1 ZINC000851974323 588649984 /nfs/dbraw/zinc/64/99/84/588649984.db2.gz BIKCIROOVXXWNU-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnon2)[C@H]1C ZINC000851974854 588650182 /nfs/dbraw/zinc/65/01/82/588650182.db2.gz KDMGPDXZUHTYJE-IONNQARKSA-N 1 2 225.248 0.453 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnon2)[C@H]1C ZINC000851974854 588650183 /nfs/dbraw/zinc/65/01/83/588650183.db2.gz KDMGPDXZUHTYJE-IONNQARKSA-N 1 2 225.248 0.453 20 0 BCADLO CO[C@H]1CC[C@@H]([N@@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973667 588650282 /nfs/dbraw/zinc/65/02/82/588650282.db2.gz HJQFJIHEVZSQTN-BDAKNGLRSA-N 1 2 222.292 0.730 20 0 BCADLO CO[C@H]1CC[C@@H]([N@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973667 588650283 /nfs/dbraw/zinc/65/02/83/588650283.db2.gz HJQFJIHEVZSQTN-BDAKNGLRSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1C[NH+](C[C@H]2CCC(=O)O2)C[C@@H](C)S1=O ZINC000851979984 588650811 /nfs/dbraw/zinc/65/08/11/588650811.db2.gz NFJLRRNFHHCSDM-OPRDCNLKSA-N 1 2 245.344 0.533 20 0 BCADLO OC[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000851978529 588651109 /nfs/dbraw/zinc/65/11/09/588651109.db2.gz NBAPAPWYPDTHIV-SFYZADRCSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC000851978529 588651110 /nfs/dbraw/zinc/65/11/10/588651110.db2.gz NBAPAPWYPDTHIV-SFYZADRCSA-N 1 2 240.130 0.981 20 0 BCADLO C[C@H]1C[N@H+](CCOC(F)F)CC[S@@](=O)C1 ZINC000851987818 588652603 /nfs/dbraw/zinc/65/26/03/588652603.db2.gz QKTRCOUESHPHQL-VXJOIVPMSA-N 1 2 241.303 0.926 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(F)F)CC[S@@](=O)C1 ZINC000851987818 588652604 /nfs/dbraw/zinc/65/26/04/588652604.db2.gz QKTRCOUESHPHQL-VXJOIVPMSA-N 1 2 241.303 0.926 20 0 BCADLO CC(C)C1(O)C[NH+](C[C@@H](O)c2ccccn2)C1 ZINC000851991572 588652917 /nfs/dbraw/zinc/65/29/17/588652917.db2.gz QZYWCTDVTMVTIJ-GFCCVEGCSA-N 1 2 236.315 0.818 20 0 BCADLO CC(C)C1(O)C[NH+](CCOC(F)F)C1 ZINC000851991239 588653143 /nfs/dbraw/zinc/65/31/43/588653143.db2.gz JWQTYEXZDWLVEI-UHFFFAOYSA-N 1 2 209.236 0.928 20 0 BCADLO COCC[N@H+](Cc1cnon1)[C@H]1CCOC1 ZINC000851995428 588653662 /nfs/dbraw/zinc/65/36/62/588653662.db2.gz ZEEUBOMAYJAGRJ-JTQLQIEISA-N 1 2 227.264 0.307 20 0 BCADLO COCC[N@@H+](Cc1cnon1)[C@H]1CCOC1 ZINC000851995428 588653663 /nfs/dbraw/zinc/65/36/63/588653663.db2.gz ZEEUBOMAYJAGRJ-JTQLQIEISA-N 1 2 227.264 0.307 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC(OC)OC ZINC000852002377 588654201 /nfs/dbraw/zinc/65/42/01/588654201.db2.gz TVGGSVAMWDLRDA-IUCAKERBSA-N 1 2 249.282 0.581 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC(OC)OC ZINC000852002377 588654202 /nfs/dbraw/zinc/65/42/02/588654202.db2.gz TVGGSVAMWDLRDA-IUCAKERBSA-N 1 2 249.282 0.581 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cnon1 ZINC000852002300 588654284 /nfs/dbraw/zinc/65/42/84/588654284.db2.gz CCZHMPSYBZWERF-PSASIEDQSA-N 1 2 227.264 0.041 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnon1 ZINC000852002300 588654285 /nfs/dbraw/zinc/65/42/85/588654285.db2.gz CCZHMPSYBZWERF-PSASIEDQSA-N 1 2 227.264 0.041 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852006863 588654741 /nfs/dbraw/zinc/65/47/41/588654741.db2.gz UDLLRKSXURSUON-DTWKUNHWSA-N 1 2 231.292 0.631 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852006863 588654742 /nfs/dbraw/zinc/65/47/42/588654742.db2.gz UDLLRKSXURSUON-DTWKUNHWSA-N 1 2 231.292 0.631 20 0 BCADLO CC[N@H+](Cc1cccc(F)n1)[C@@H]1CCNC1=O ZINC000852013611 588655216 /nfs/dbraw/zinc/65/52/16/588655216.db2.gz WLCLJMYLRSBHMK-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1cccc(F)n1)[C@@H]1CCNC1=O ZINC000852013611 588655217 /nfs/dbraw/zinc/65/52/17/588655217.db2.gz WLCLJMYLRSBHMK-SNVBAGLBSA-N 1 2 237.278 0.931 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@]23CCOC3)O1 ZINC000852013289 588655447 /nfs/dbraw/zinc/65/54/47/588655447.db2.gz SZCBOIOIYHIYEB-CMPLNLGQSA-N 1 2 241.287 0.183 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@]23CCOC3)O1 ZINC000852013289 588655448 /nfs/dbraw/zinc/65/54/48/588655448.db2.gz SZCBOIOIYHIYEB-CMPLNLGQSA-N 1 2 241.287 0.183 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000852017269 588655659 /nfs/dbraw/zinc/65/56/59/588655659.db2.gz XLVDLCXVGWFXMJ-JGVFFNPUSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000852017269 588655660 /nfs/dbraw/zinc/65/56/60/588655660.db2.gz XLVDLCXVGWFXMJ-JGVFFNPUSA-N 1 2 235.230 0.658 20 0 BCADLO CC(C)[N@H+](CCOCCO)Cc1cnon1 ZINC000852020315 588656249 /nfs/dbraw/zinc/65/62/49/588656249.db2.gz XPNZORKWRKQXTP-UHFFFAOYSA-N 1 2 229.280 0.289 20 0 BCADLO CC(C)[N@@H+](CCOCCO)Cc1cnon1 ZINC000852020315 588656250 /nfs/dbraw/zinc/65/62/50/588656250.db2.gz XPNZORKWRKQXTP-UHFFFAOYSA-N 1 2 229.280 0.289 20 0 BCADLO CCn1ncc(C[N@H+](C)CCOCCOC)n1 ZINC000852053832 588657887 /nfs/dbraw/zinc/65/78/87/588657887.db2.gz IGTHLDSIYFJTTR-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CCn1ncc(C[N@@H+](C)CCOCCOC)n1 ZINC000852053832 588657888 /nfs/dbraw/zinc/65/78/88/588657888.db2.gz IGTHLDSIYFJTTR-UHFFFAOYSA-N 1 2 242.323 0.393 20 0 BCADLO CON1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000852144444 588666978 /nfs/dbraw/zinc/66/69/78/588666978.db2.gz PYDIKCXHJRPPKC-SECBINFHSA-N 1 2 236.262 0.590 20 0 BCADLO CON1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000852144880 588667323 /nfs/dbraw/zinc/66/73/23/588667323.db2.gz WOASUAXBSJXVDU-GFCCVEGCSA-N 1 2 237.303 0.294 20 0 BCADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)[nH]1 ZINC000852177152 588669592 /nfs/dbraw/zinc/66/95/92/588669592.db2.gz ZTJNELVUOICFKI-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1nnc([C@H]2CC[N@H+](Cc3cnn(C)n3)C2)[nH]1 ZINC000852177152 588669593 /nfs/dbraw/zinc/66/95/93/588669593.db2.gz ZTJNELVUOICFKI-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)n1 ZINC000852177152 588669594 /nfs/dbraw/zinc/66/95/94/588669594.db2.gz ZTJNELVUOICFKI-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cnn(C)n3)C2)n1 ZINC000852177152 588669595 /nfs/dbraw/zinc/66/95/95/588669595.db2.gz ZTJNELVUOICFKI-VIFPVBQESA-N 1 2 247.306 0.231 20 0 BCADLO C[N@H+](C/C=C/Cl)Cc1n[nH]c(=O)o1 ZINC000852188377 588670931 /nfs/dbraw/zinc/67/09/31/588670931.db2.gz JDUWJUAMLKLDNM-NSCUHMNNSA-N 1 2 203.629 0.960 20 0 BCADLO C[N@@H+](C/C=C/Cl)Cc1n[nH]c(=O)o1 ZINC000852188377 588670932 /nfs/dbraw/zinc/67/09/32/588670932.db2.gz JDUWJUAMLKLDNM-NSCUHMNNSA-N 1 2 203.629 0.960 20 0 BCADLO c1nonc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000852211661 588672564 /nfs/dbraw/zinc/67/25/64/588672564.db2.gz NQTYUHVGGKHMCM-UHFFFAOYSA-N 1 2 248.290 0.573 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298444 588677112 /nfs/dbraw/zinc/67/71/12/588677112.db2.gz ALIKUCZYIIGIOO-QMMMGPOBSA-N 1 2 238.287 0.418 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298444 588677113 /nfs/dbraw/zinc/67/71/13/588677113.db2.gz ALIKUCZYIIGIOO-QMMMGPOBSA-N 1 2 238.287 0.418 20 0 BCADLO Cc1nonc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295682 588677328 /nfs/dbraw/zinc/67/73/28/588677328.db2.gz HVTNTDMBKJSKDL-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO Cc1nonc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295682 588677329 /nfs/dbraw/zinc/67/73/29/588677329.db2.gz HVTNTDMBKJSKDL-UHFFFAOYSA-N 1 2 248.286 0.748 20 0 BCADLO CC(C)COC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000852320302 588678296 /nfs/dbraw/zinc/67/82/96/588678296.db2.gz IXFIIBNWMHTFKG-LLVKDONJSA-N 1 2 229.320 0.936 20 0 BCADLO COCC[N@H+](CCF)Cc1ccnc(OC)n1 ZINC000852479340 588683417 /nfs/dbraw/zinc/68/34/17/588683417.db2.gz CQZXOKIMJQCTJH-UHFFFAOYSA-N 1 2 243.282 0.903 20 0 BCADLO COCC[N@@H+](CCF)Cc1ccnc(OC)n1 ZINC000852479340 588683418 /nfs/dbraw/zinc/68/34/18/588683418.db2.gz CQZXOKIMJQCTJH-UHFFFAOYSA-N 1 2 243.282 0.903 20 0 BCADLO COCC[N@H+](CCF)[C@@H]1CCCN(C)C1=O ZINC000852481602 588684378 /nfs/dbraw/zinc/68/43/78/588684378.db2.gz NVKVXILHKFGAPA-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO COCC[N@@H+](CCF)[C@@H]1CCCN(C)C1=O ZINC000852481602 588684379 /nfs/dbraw/zinc/68/43/79/588684379.db2.gz NVKVXILHKFGAPA-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO COCCN(CCF)Cc1c[nH+]cn1C ZINC000852483367 588684609 /nfs/dbraw/zinc/68/46/09/588684609.db2.gz HEEJIMAUNBAQGQ-UHFFFAOYSA-N 1 2 215.272 0.838 20 0 BCADLO COCC[N@H+](CCF)[C@@H]1CCN(C)C1=O ZINC000852483756 588684627 /nfs/dbraw/zinc/68/46/27/588684627.db2.gz QTZZKXNYGALBKM-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO COCC[N@@H+](CCF)[C@@H]1CCN(C)C1=O ZINC000852483756 588684628 /nfs/dbraw/zinc/68/46/28/588684628.db2.gz QTZZKXNYGALBKM-SECBINFHSA-N 1 2 218.272 0.135 20 0 BCADLO CCN(C)C(=O)C[N@H+](CCF)CCOC ZINC000852483228 588684646 /nfs/dbraw/zinc/68/46/46/588684646.db2.gz DUVWOLKIGFXSQQ-UHFFFAOYSA-N 1 2 220.288 0.383 20 0 BCADLO CCN(C)C(=O)C[N@@H+](CCF)CCOC ZINC000852483228 588684647 /nfs/dbraw/zinc/68/46/47/588684647.db2.gz DUVWOLKIGFXSQQ-UHFFFAOYSA-N 1 2 220.288 0.383 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CCF)CCOC ZINC000852484475 588684867 /nfs/dbraw/zinc/68/48/67/588684867.db2.gz FHQVMBBFTWMCMY-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CCF)CCOC ZINC000852484475 588684868 /nfs/dbraw/zinc/68/48/68/588684868.db2.gz FHQVMBBFTWMCMY-SNVBAGLBSA-N 1 2 234.315 0.819 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cnon3)CC[C@@H]2N1 ZINC000852495983 588685970 /nfs/dbraw/zinc/68/59/70/588685970.db2.gz OBELJQSAWFTXFO-WPRPVWTQSA-N 1 2 236.275 0.170 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2N1 ZINC000852495983 588685971 /nfs/dbraw/zinc/68/59/71/588685971.db2.gz OBELJQSAWFTXFO-WPRPVWTQSA-N 1 2 236.275 0.170 20 0 BCADLO Cn1ncc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000852516821 588687989 /nfs/dbraw/zinc/68/79/89/588687989.db2.gz UMGLBTTVWQGEFD-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO Cn1ncc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000852516821 588687990 /nfs/dbraw/zinc/68/79/90/588687990.db2.gz UMGLBTTVWQGEFD-UHFFFAOYSA-N 1 2 222.292 0.594 20 0 BCADLO COC(=O)N(C)CC[N@H+](C)Cc1cc[nH]n1 ZINC000852569009 588691035 /nfs/dbraw/zinc/69/10/35/588691035.db2.gz YOYYZXMWDCFOOU-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO COC(=O)N(C)CC[N@@H+](C)Cc1cc[nH]n1 ZINC000852569009 588691036 /nfs/dbraw/zinc/69/10/36/588691036.db2.gz YOYYZXMWDCFOOU-UHFFFAOYSA-N 1 2 226.280 0.540 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC1OCCO1 ZINC000852576353 588691765 /nfs/dbraw/zinc/69/17/65/588691765.db2.gz ACCUZVZHTKREPI-LLVKDONJSA-N 1 2 249.282 0.630 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852583744 588691923 /nfs/dbraw/zinc/69/19/23/588691923.db2.gz BGKDUNFRWRKHNX-DJLDLDEBSA-N 1 2 211.261 0.195 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000852682921 588695685 /nfs/dbraw/zinc/69/56/85/588695685.db2.gz CBRZCGUTCZRODA-UHFFFAOYSA-N 1 2 222.292 0.520 20 0 BCADLO CCn1ncc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000852682921 588695686 /nfs/dbraw/zinc/69/56/86/588695686.db2.gz CBRZCGUTCZRODA-UHFFFAOYSA-N 1 2 222.292 0.520 20 0 BCADLO CC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000852699348 588696579 /nfs/dbraw/zinc/69/65/79/588696579.db2.gz JPCDGNSCBSPYJK-UHFFFAOYSA-N 1 2 205.261 0.814 20 0 BCADLO CC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000852699348 588696580 /nfs/dbraw/zinc/69/65/80/588696580.db2.gz JPCDGNSCBSPYJK-UHFFFAOYSA-N 1 2 205.261 0.814 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCc3nccnc3C2)O1 ZINC000852697515 588696754 /nfs/dbraw/zinc/69/67/54/588696754.db2.gz FFGOUEQJHSEFON-JTQLQIEISA-N 1 2 249.314 0.986 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCc3nccnc3C2)O1 ZINC000852697515 588696755 /nfs/dbraw/zinc/69/67/55/588696755.db2.gz FFGOUEQJHSEFON-JTQLQIEISA-N 1 2 249.314 0.986 20 0 BCADLO CONC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852786779 588701573 /nfs/dbraw/zinc/70/15/73/588701573.db2.gz KHFBFOXRGCOAOF-SNVBAGLBSA-N 1 2 206.245 0.899 20 0 BCADLO C[S@](=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852782248 588702294 /nfs/dbraw/zinc/70/22/94/588702294.db2.gz IGJSVNSOXNTVRE-PSLIRLAXSA-N 1 2 241.303 0.721 20 0 BCADLO C[S@](=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852782248 588702295 /nfs/dbraw/zinc/70/22/95/588702295.db2.gz IGJSVNSOXNTVRE-PSLIRLAXSA-N 1 2 241.303 0.721 20 0 BCADLO Cc1c[nH+]cn1CC(=O)OCCc1cn[nH]n1 ZINC000860566067 589106395 /nfs/dbraw/zinc/10/63/95/589106395.db2.gz QYEFEHMCELJGDI-UHFFFAOYSA-N 1 2 235.247 0.096 20 0 BCADLO Cc1c[nH+]cn1CC(=O)OCCc1c[nH]nn1 ZINC000860566067 589106396 /nfs/dbraw/zinc/10/63/96/589106396.db2.gz QYEFEHMCELJGDI-UHFFFAOYSA-N 1 2 235.247 0.096 20 0 BCADLO Cc1c[nH+]cn1CC(=O)OCCc1cnn[nH]1 ZINC000860566067 589106398 /nfs/dbraw/zinc/10/63/98/589106398.db2.gz QYEFEHMCELJGDI-UHFFFAOYSA-N 1 2 235.247 0.096 20 0 BCADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cccnn1 ZINC000860717757 589116027 /nfs/dbraw/zinc/11/60/27/589116027.db2.gz FBAQEMCFWYLRDO-SECBINFHSA-N 1 2 239.250 0.677 20 0 BCADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cccnn1 ZINC000860717757 589116029 /nfs/dbraw/zinc/11/60/29/589116029.db2.gz FBAQEMCFWYLRDO-SECBINFHSA-N 1 2 239.250 0.677 20 0 BCADLO O=C(OCC[NH+]1CCC1)[C@H]1CCC(=O)C1 ZINC000861390137 589163471 /nfs/dbraw/zinc/16/34/71/589163471.db2.gz KTOWGGMLHRJORJ-VIFPVBQESA-N 1 2 211.261 0.605 20 0 BCADLO COC1CC(C(=O)NCc2c[nH+]cn2C)C1 ZINC000861752700 589176602 /nfs/dbraw/zinc/17/66/02/589176602.db2.gz MFISNNOVIZDTHD-UHFFFAOYSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(CC1(O)CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861760846 589177071 /nfs/dbraw/zinc/17/70/71/589177071.db2.gz PDVCLXOEZXJREG-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO O=C(CC1(O)CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861760846 589177072 /nfs/dbraw/zinc/17/70/72/589177072.db2.gz PDVCLXOEZXJREG-UHFFFAOYSA-N 1 2 249.314 0.990 20 0 BCADLO COC/C(C)=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763509 589177349 /nfs/dbraw/zinc/17/73/49/589177349.db2.gz SBDFFEMGVZFGHJ-WEVVVXLNSA-N 1 2 235.287 0.887 20 0 BCADLO COC/C(C)=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763509 589177350 /nfs/dbraw/zinc/17/73/50/589177350.db2.gz SBDFFEMGVZFGHJ-WEVVVXLNSA-N 1 2 235.287 0.887 20 0 BCADLO O=C([C@@H]1CCC=CO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761326 589177430 /nfs/dbraw/zinc/17/74/30/589177430.db2.gz CKSBJRMVNWSZNQ-NSHDSACASA-N 1 2 233.271 0.987 20 0 BCADLO O=C([C@@H]1CCC=CO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761326 589177431 /nfs/dbraw/zinc/17/74/31/589177431.db2.gz CKSBJRMVNWSZNQ-NSHDSACASA-N 1 2 233.271 0.987 20 0 BCADLO O=C(COCC(F)F)N[C@H]1CCn2cc[nH+]c21 ZINC000861852191 589180407 /nfs/dbraw/zinc/18/04/07/589180407.db2.gz DSTFSPGFTRRLKO-ZETCQYMHSA-N 1 2 245.229 0.726 20 0 BCADLO Cc1ccnn1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000861946954 589184342 /nfs/dbraw/zinc/18/43/42/589184342.db2.gz NPBYRWLZZRBUFG-UHFFFAOYSA-N 1 2 247.302 0.284 20 0 BCADLO Cc1c[nH]c(CN2CCCNC(=O)C2)[nH+]1 ZINC000862233784 589195987 /nfs/dbraw/zinc/19/59/87/589195987.db2.gz SZTJPFDLWMWTIV-UHFFFAOYSA-N 1 2 208.265 0.040 20 0 BCADLO Cc1[nH]c(CN2CCNC(=O)C2(C)C)[nH+]c1C ZINC000862238786 589196206 /nfs/dbraw/zinc/19/62/06/589196206.db2.gz KASMLMZFDUQURQ-UHFFFAOYSA-N 1 2 236.319 0.737 20 0 BCADLO FC(F)C1CC([NH2+]Cc2c[nH]nn2)C1 ZINC000862424550 589211687 /nfs/dbraw/zinc/21/16/87/589211687.db2.gz SRSJTHCDVSBYKF-UHFFFAOYSA-N 1 2 202.208 0.938 20 0 BCADLO FC(F)C1CC([NH2+]Cc2cn[nH]n2)C1 ZINC000862424550 589211688 /nfs/dbraw/zinc/21/16/88/589211688.db2.gz SRSJTHCDVSBYKF-UHFFFAOYSA-N 1 2 202.208 0.938 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1cc(C)on1 ZINC000862454424 589215821 /nfs/dbraw/zinc/21/58/21/589215821.db2.gz ULXDZFFUSYASSC-UHFFFAOYSA-N 1 2 241.291 0.873 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000862542258 589218545 /nfs/dbraw/zinc/21/85/45/589218545.db2.gz KCFQKSJAKICAFI-MRVPVSSYSA-N 1 2 227.264 0.481 20 0 BCADLO COC(=O)C1=CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862659725 589231158 /nfs/dbraw/zinc/23/11/58/589231158.db2.gz VSGAWSRMVFOEDW-VIFPVBQESA-N 1 2 249.270 0.330 20 0 BCADLO O=C(Nn1cccn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000862769380 589239910 /nfs/dbraw/zinc/23/99/10/589239910.db2.gz DUABXPCCJPAHFR-SECBINFHSA-N 1 2 231.259 0.412 20 0 BCADLO C[C@@H](CC(=O)Nn1cccn1)n1cc[nH+]c1 ZINC000862769831 589240452 /nfs/dbraw/zinc/24/04/52/589240452.db2.gz OQCRMKFLZCTKOH-VIFPVBQESA-N 1 2 219.248 0.801 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnn(CCF)c1 ZINC000862811709 589242167 /nfs/dbraw/zinc/24/21/67/589242167.db2.gz TVQWKTUEXNMXAR-UHFFFAOYSA-N 1 2 237.238 0.757 20 0 BCADLO CCC/C=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862968922 589249578 /nfs/dbraw/zinc/24/95/78/589249578.db2.gz GVWXRAVIXKWUEA-MVIFTORASA-N 1 2 226.320 0.790 20 0 BCADLO CCC/C=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862968922 589249579 /nfs/dbraw/zinc/24/95/79/589249579.db2.gz GVWXRAVIXKWUEA-MVIFTORASA-N 1 2 226.320 0.790 20 0 BCADLO C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000862973546 589249991 /nfs/dbraw/zinc/24/99/91/589249991.db2.gz PVASSCZNXQXAAI-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000862973546 589249993 /nfs/dbraw/zinc/24/99/93/589249993.db2.gz PVASSCZNXQXAAI-PWSUYJOCSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC000862971451 589250113 /nfs/dbraw/zinc/25/01/13/589250113.db2.gz SOXAWAVYKBUCHG-WYGGZMRJSA-N 1 2 224.304 0.399 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC000862971451 589250114 /nfs/dbraw/zinc/25/01/14/589250114.db2.gz SOXAWAVYKBUCHG-WYGGZMRJSA-N 1 2 224.304 0.399 20 0 BCADLO C[C@@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000862973545 589250349 /nfs/dbraw/zinc/25/03/49/589250349.db2.gz PVASSCZNXQXAAI-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000862973545 589250350 /nfs/dbraw/zinc/25/03/50/589250350.db2.gz PVASSCZNXQXAAI-JQWIXIFHSA-N 1 2 240.347 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C=C1CCC1 ZINC000862971198 589250423 /nfs/dbraw/zinc/25/04/23/589250423.db2.gz PTAIEFBWZPNNKS-NSHDSACASA-N 1 2 224.304 0.544 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C=C1CCC1 ZINC000862971198 589250424 /nfs/dbraw/zinc/25/04/24/589250424.db2.gz PTAIEFBWZPNNKS-NSHDSACASA-N 1 2 224.304 0.544 20 0 BCADLO COC1(C(N)=[NH+]OCC2OCCO2)CCCC1 ZINC000863478409 589292334 /nfs/dbraw/zinc/29/23/34/589292334.db2.gz NXGKYOWGSQSHLG-UHFFFAOYSA-N 1 2 244.291 0.817 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079348 589341045 /nfs/dbraw/zinc/34/10/45/589341045.db2.gz WONWINNQMNFCJB-BABIGQSTSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079348 589341047 /nfs/dbraw/zinc/34/10/47/589341047.db2.gz WONWINNQMNFCJB-BABIGQSTSA-N 1 2 230.283 0.385 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000864078096 589341171 /nfs/dbraw/zinc/34/11/71/589341171.db2.gz HAUAUNVLEPHZHM-MKPLZMMCSA-N 1 2 235.287 0.324 20 0 BCADLO CO[C@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864080376 589341406 /nfs/dbraw/zinc/34/14/06/589341406.db2.gz IECOOTITMHNFSD-KOLCDFICSA-N 1 2 237.303 0.978 20 0 BCADLO CC(C)Cc1cc(NC[C@@H](O)[C@H](C)O)nc[nH+]1 ZINC000864093318 589344370 /nfs/dbraw/zinc/34/43/70/589344370.db2.gz NEHQOBCTOPHAPJ-GXSJLCMTSA-N 1 2 239.319 0.829 20 0 BCADLO C[C@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864447951 589364449 /nfs/dbraw/zinc/36/44/49/589364449.db2.gz ZTIDITHDOBWPSX-WPRPVWTQSA-N 1 2 223.276 0.844 20 0 BCADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000864681432 589389306 /nfs/dbraw/zinc/38/93/06/589389306.db2.gz DYGVBWOLURYJAU-JTQLQIEISA-N 1 2 223.276 0.844 20 0 BCADLO CON(C)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864684992 589389380 /nfs/dbraw/zinc/38/93/80/589389380.db2.gz DBGMDDGUCSOUNV-QMMMGPOBSA-N 1 2 236.262 0.983 20 0 BCADLO CON(C)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864684992 589389382 /nfs/dbraw/zinc/38/93/82/589389382.db2.gz DBGMDDGUCSOUNV-QMMMGPOBSA-N 1 2 236.262 0.983 20 0 BCADLO C[C@@H](C1CC1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864688640 589390006 /nfs/dbraw/zinc/39/00/06/589390006.db2.gz FKFSNAXZGIBPMK-OIBJUYFYSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864761109 589392933 /nfs/dbraw/zinc/39/29/33/589392933.db2.gz GWILUSYIWSGABR-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO COC/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000864868611 589398737 /nfs/dbraw/zinc/39/87/37/589398737.db2.gz XXYVICIFBQLIAO-IHWYPQMZSA-N 1 2 209.249 0.202 20 0 BCADLO CCCN(CC(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865071140 589407252 /nfs/dbraw/zinc/40/72/52/589407252.db2.gz PHWDODJGTXRAFR-SECBINFHSA-N 1 2 247.245 0.947 20 0 BCADLO CN(CC(C)(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865120033 589409775 /nfs/dbraw/zinc/40/97/75/589409775.db2.gz COXVOWGKCQPDEQ-VIFPVBQESA-N 1 2 225.292 0.948 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865141637 589410997 /nfs/dbraw/zinc/41/09/97/589410997.db2.gz VPMZOIOCJLRZMT-WUNPDAOYSA-N 1 2 224.304 0.399 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C1CC1 ZINC000865156167 589411476 /nfs/dbraw/zinc/41/14/76/589411476.db2.gz CCFJBDMHNUNFRT-QWRGUYRKSA-N 1 2 235.287 0.844 20 0 BCADLO COC/C=C\C(=O)NCc1[nH+]ccn1C ZINC000865157889 589412076 /nfs/dbraw/zinc/41/20/76/589412076.db2.gz FBVRGAUGPNMQRI-ARJAWSKDSA-N 1 2 209.249 0.239 20 0 BCADLO C[C@H](O)CNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865402233 589433152 /nfs/dbraw/zinc/43/31/52/589433152.db2.gz UNSGJQUBVLYWQF-ZETCQYMHSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@H](O)CNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865402233 589433153 /nfs/dbraw/zinc/43/31/53/589433153.db2.gz UNSGJQUBVLYWQF-ZETCQYMHSA-N 1 2 237.307 0.904 20 0 BCADLO C[C@H](O)c1ccc(N(CCO)CCCO)[nH+]c1 ZINC000865560555 589447058 /nfs/dbraw/zinc/44/70/58/589447058.db2.gz CRQZYIMKZGEKJF-JTQLQIEISA-N 1 2 240.303 0.316 20 0 BCADLO CC[C@]1(C(=O)Nc2cc[nH+]cc2C)CCNC1=O ZINC000865574821 589447954 /nfs/dbraw/zinc/44/79/54/589447954.db2.gz DWIWEOFSTFXERD-ZDUSSCGKSA-N 1 2 247.298 0.667 20 0 BCADLO CC(C)Cc1cc(NC[C@H](O)CO)nc[nH+]1 ZINC000865624564 589452148 /nfs/dbraw/zinc/45/21/48/589452148.db2.gz VOJXUVIGWOLMBD-JTQLQIEISA-N 1 2 225.292 0.440 20 0 BCADLO C[C@@H](O)c1ccc(N2CC(CO)C2)[nH+]c1 ZINC000865673525 589455702 /nfs/dbraw/zinc/45/57/02/589455702.db2.gz FBTVTTVTXHGIKD-MRVPVSSYSA-N 1 2 208.261 0.563 20 0 BCADLO CC[C@@]1(C(=O)Nc2cc[nH+]c(C)c2)CCNC1=O ZINC000865742189 589460034 /nfs/dbraw/zinc/46/00/34/589460034.db2.gz WTWYLNNJCMSFHM-CYBMUJFWSA-N 1 2 247.298 0.667 20 0 BCADLO CCCNc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc[nH+]1 ZINC000865823331 589463131 /nfs/dbraw/zinc/46/31/31/589463131.db2.gz COTVSJHMFWNTCC-URLYPYJESA-N 1 2 248.330 0.973 20 0 BCADLO CCCNc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]cn1 ZINC000865823331 589463132 /nfs/dbraw/zinc/46/31/32/589463132.db2.gz COTVSJHMFWNTCC-URLYPYJESA-N 1 2 248.330 0.973 20 0 BCADLO C[C@@H](O)c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]c1 ZINC000865823385 589463244 /nfs/dbraw/zinc/46/32/44/589463244.db2.gz GXKDYRSUSTUXCU-YJQGPUDQSA-N 1 2 234.299 0.809 20 0 BCADLO COC/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878514 589467037 /nfs/dbraw/zinc/46/70/37/589467037.db2.gz QDOIEUOITQUPEV-IHWYPQMZSA-N 1 2 221.260 0.469 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865900934 589467744 /nfs/dbraw/zinc/46/77/44/589467744.db2.gz XEOQCMWTHGVDSZ-FBIMIBRVSA-N 1 2 238.287 0.961 20 0 BCADLO CCCNc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000865969186 589470808 /nfs/dbraw/zinc/47/08/08/589470808.db2.gz QUPMCKLIBDLUTK-KYZUINATSA-N 1 2 249.318 0.974 20 0 BCADLO CCCNc1cc(N[C@H]2C[C@H](C(N)=O)C2)[nH+]cn1 ZINC000865969186 589470809 /nfs/dbraw/zinc/47/08/09/589470809.db2.gz QUPMCKLIBDLUTK-KYZUINATSA-N 1 2 249.318 0.974 20 0 BCADLO Cc1ccn(C[C@@H](C)C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000865993545 589471860 /nfs/dbraw/zinc/47/18/60/589471860.db2.gz XKTYRTBYJBAGKT-SECBINFHSA-N 1 2 247.302 0.867 20 0 BCADLO Cc1ccn(C[C@@H](C)C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000865993545 589471861 /nfs/dbraw/zinc/47/18/61/589471861.db2.gz XKTYRTBYJBAGKT-SECBINFHSA-N 1 2 247.302 0.867 20 0 BCADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866020447 589472984 /nfs/dbraw/zinc/47/29/84/589472984.db2.gz MJIHMEHALCBQEV-MRTMQBJTSA-N 1 2 223.276 0.700 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCC1 ZINC000866109420 589476900 /nfs/dbraw/zinc/47/69/00/589476900.db2.gz HLOADNIWNQGUML-SECBINFHSA-N 1 2 209.249 0.454 20 0 BCADLO C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866202124 589479835 /nfs/dbraw/zinc/47/98/35/589479835.db2.gz ZBXRNUCZEADNQX-KHQFGBGNSA-N 1 2 223.276 0.558 20 0 BCADLO C[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866203583 589479879 /nfs/dbraw/zinc/47/98/79/589479879.db2.gz OHKFFZLNZJZABI-CBAPKCEASA-N 1 2 209.249 0.454 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866336724 589486749 /nfs/dbraw/zinc/48/67/49/589486749.db2.gz GXYFITCZZKJONZ-WEDXCCLWSA-N 1 2 223.276 0.700 20 0 BCADLO COC(C)(C)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866562759 589500471 /nfs/dbraw/zinc/50/04/71/589500471.db2.gz FNEUDJLBLIRHHO-SECBINFHSA-N 1 2 241.291 0.327 20 0 BCADLO CN(Cc1cccn1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866620776 589505376 /nfs/dbraw/zinc/50/53/76/589505376.db2.gz UKBXKIQMMZIEQO-NSHDSACASA-N 1 2 248.286 0.440 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689783 589512251 /nfs/dbraw/zinc/51/22/51/589512251.db2.gz RGCUVLZFSFQWAW-MRVPVSSYSA-N 1 2 235.287 0.337 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689783 589512252 /nfs/dbraw/zinc/51/22/52/589512252.db2.gz RGCUVLZFSFQWAW-MRVPVSSYSA-N 1 2 235.287 0.337 20 0 BCADLO CC(C)CCOC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000867538413 589524669 /nfs/dbraw/zinc/52/46/69/589524669.db2.gz KNQHQIKEKOLOJP-NSHDSACASA-N 1 2 244.335 0.777 20 0 BCADLO CC(C)CCOC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000867538413 589524670 /nfs/dbraw/zinc/52/46/70/589524670.db2.gz KNQHQIKEKOLOJP-NSHDSACASA-N 1 2 244.335 0.777 20 0 BCADLO C[N@@H+]1CCN(C(=O)OCC2CC2)[C@@H](CO)C1 ZINC000867538712 589524741 /nfs/dbraw/zinc/52/47/41/589524741.db2.gz USAXWONUTUVZLU-SNVBAGLBSA-N 1 2 228.292 0.141 20 0 BCADLO C[N@H+]1CCN(C(=O)OCC2CC2)[C@@H](CO)C1 ZINC000867538712 589524743 /nfs/dbraw/zinc/52/47/43/589524743.db2.gz USAXWONUTUVZLU-SNVBAGLBSA-N 1 2 228.292 0.141 20 0 BCADLO CO[C@@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867675633 589530135 /nfs/dbraw/zinc/53/01/35/589530135.db2.gz AIQDVFPPXSGKOD-BYCRGOAPSA-N 1 2 242.319 0.026 20 0 BCADLO C[N@@H+]1Cc2ccccc2[C@H]1CNS(C)(=O)=O ZINC000867794501 589534493 /nfs/dbraw/zinc/53/44/93/589534493.db2.gz IQDIGJDLMWVVTL-LLVKDONJSA-N 1 2 240.328 0.722 20 0 BCADLO C[N@H+]1Cc2ccccc2[C@H]1CNS(C)(=O)=O ZINC000867794501 589534495 /nfs/dbraw/zinc/53/44/95/589534495.db2.gz IQDIGJDLMWVVTL-LLVKDONJSA-N 1 2 240.328 0.722 20 0 BCADLO Cn1c[nH+]cc1CNS(=O)(=O)C1(C)CC1 ZINC000867935898 589540438 /nfs/dbraw/zinc/54/04/38/589540438.db2.gz QPTJCZDNGUULCB-UHFFFAOYSA-N 1 2 229.305 0.392 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)NN1CCCC1 ZINC000868046625 589546205 /nfs/dbraw/zinc/54/62/05/589546205.db2.gz ZWKSEDNQXVAQLB-ONEGZZNKSA-N 1 2 239.319 0.002 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000868259362 589552864 /nfs/dbraw/zinc/55/28/64/589552864.db2.gz AYTFDOHKZKYQTA-PSASIEDQSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)O ZINC000868663005 589571461 /nfs/dbraw/zinc/57/14/61/589571461.db2.gz FGBYLKZVFJPMQX-CBAPKCEASA-N 1 2 241.291 0.061 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](F)C1 ZINC000868688097 589573017 /nfs/dbraw/zinc/57/30/17/589573017.db2.gz XABYNLZKSXVOBX-HTRCEHHLSA-N 1 2 213.212 0.014 20 0 BCADLO COC/C=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000868839043 589579152 /nfs/dbraw/zinc/57/91/52/589579152.db2.gz WOQSYDJVBPLIIK-ONEGZZNKSA-N 1 2 223.276 0.281 20 0 BCADLO CC[NH+]1CCN(C(=O)c2noc(C)n2)CC1 ZINC000122439971 589589420 /nfs/dbraw/zinc/58/94/20/589589420.db2.gz MEDHHIJPBVPZIX-UHFFFAOYSA-N 1 2 224.264 0.156 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](F)C1 ZINC000869222613 589593094 /nfs/dbraw/zinc/59/30/94/589593094.db2.gz GPTCJPHNYBQZOH-MRVPVSSYSA-N 1 2 226.255 0.674 20 0 BCADLO COCC1(N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000869235597 589593266 /nfs/dbraw/zinc/59/32/66/589593266.db2.gz XTPIVHMGTRHSSB-VIFPVBQESA-N 1 2 239.275 0.081 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@@H]2C[C@@H]2C1 ZINC000869393969 589603533 /nfs/dbraw/zinc/60/35/33/589603533.db2.gz QAYIGXDWHNCTCW-ZLLARURESA-N 1 2 236.315 0.353 20 0 BCADLO COc1nnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000870178089 589647388 /nfs/dbraw/zinc/64/73/88/589647388.db2.gz AYMBNCZOGKHFQB-UHFFFAOYSA-N 1 2 239.260 0.451 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)/C=C\COC)C1 ZINC000870298465 589656959 /nfs/dbraw/zinc/65/69/59/589656959.db2.gz DSWPRYAIMSPZIK-PLNGDYQASA-N 1 2 243.303 0.453 20 0 BCADLO CC[C@@](C)(NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000888550813 589719152 /nfs/dbraw/zinc/71/91/52/589719152.db2.gz AYXDWRFMDRCAKP-LLVKDONJSA-N 1 2 238.291 0.043 20 0 BCADLO COC(C)(C)CCNC(=O)Cc1c[nH+]cn1C ZINC000871256861 589750841 /nfs/dbraw/zinc/75/08/41/589750841.db2.gz GWZMOFAYAVLKQY-UHFFFAOYSA-N 1 2 239.319 0.894 20 0 BCADLO CC(C)OCC(N)=[NH+]OCCc1ccnn1C ZINC000871727863 589799548 /nfs/dbraw/zinc/79/95/48/589799548.db2.gz MPTDGJQKLCIOMO-UHFFFAOYSA-N 1 2 240.307 0.886 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCO[C@@H]1C ZINC000871735930 589800966 /nfs/dbraw/zinc/80/09/66/589800966.db2.gz ZZQFROSXEIEBLC-IWSPIJDZSA-N 1 2 216.281 0.945 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1C[C@H](OC)C1 ZINC000871734171 589801271 /nfs/dbraw/zinc/80/12/71/589801271.db2.gz AWBDGOFDIDSPPL-XHNCKOQMSA-N 1 2 216.281 0.945 20 0 BCADLO NC(CCO)=[NH+]OCc1coc(C2CC2)n1 ZINC000871742756 589802471 /nfs/dbraw/zinc/80/24/71/589802471.db2.gz VRDKJQKIIMMDNM-UHFFFAOYSA-N 1 2 225.248 0.933 20 0 BCADLO COC[C@@H](CO[NH+]=C(N)COC1CCC1)OC ZINC000871778303 589814178 /nfs/dbraw/zinc/81/41/78/589814178.db2.gz BPSSJOCZGUWIPN-JTQLQIEISA-N 1 2 246.307 0.715 20 0 BCADLO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C(=O)OC ZINC000871906846 589831784 /nfs/dbraw/zinc/83/17/84/589831784.db2.gz PTHXNKBVTXQMRE-DCHHYWPUSA-N 1 2 239.315 0.951 20 0 BCADLO CC(C)(O)C[C@@H](O)C[NH2+]CC(C)(F)F ZINC000872209584 589893601 /nfs/dbraw/zinc/89/36/01/589893601.db2.gz VYQLJITWPWWMNU-SSDOTTSWSA-N 1 2 211.252 0.753 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)[C@H]2CCOC2=O)C1=O ZINC000872263024 589901918 /nfs/dbraw/zinc/90/19/18/589901918.db2.gz HKKSLQFBCSBKGN-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)[C@H]2CCOC2=O)C1=O ZINC000872263024 589901920 /nfs/dbraw/zinc/90/19/20/589901920.db2.gz HKKSLQFBCSBKGN-ZJUUUORDSA-N 1 2 240.303 0.245 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268765 589902540 /nfs/dbraw/zinc/90/25/40/589902540.db2.gz JRTCITCPVLNPLM-JGVFFNPUSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268765 589902543 /nfs/dbraw/zinc/90/25/43/589902543.db2.gz JRTCITCPVLNPLM-JGVFFNPUSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268762 589902740 /nfs/dbraw/zinc/90/27/40/589902740.db2.gz JRTCITCPVLNPLM-HTQZYQBOSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268762 589902741 /nfs/dbraw/zinc/90/27/41/589902741.db2.gz JRTCITCPVLNPLM-HTQZYQBOSA-N 1 2 235.230 0.658 20 0 BCADLO CCc1cc(NCC[S@@](C)=O)nc[nH+]1 ZINC000124023879 589905800 /nfs/dbraw/zinc/90/58/00/589905800.db2.gz JWTBLEWCTHIIPF-AWEZNQCLSA-N 1 2 213.306 0.829 20 0 BCADLO CC(C)c1nnc(N2CC[NH+](CCO)CC2)o1 ZINC000872387502 589930358 /nfs/dbraw/zinc/93/03/58/589930358.db2.gz OIHQNWUXEUMYGL-UHFFFAOYSA-N 1 2 240.307 0.307 20 0 BCADLO CC[S@@](=O)CC[NH2+]Cc1ccn[nH]1 ZINC000124150206 589952149 /nfs/dbraw/zinc/95/21/49/589952149.db2.gz LACJEUFROZELRQ-ZDUSSCGKSA-N 1 2 201.295 0.268 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)OCCF ZINC000872646003 589958345 /nfs/dbraw/zinc/95/83/45/589958345.db2.gz WKJDFDJVJLTMEL-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)OCCF ZINC000872646003 589958346 /nfs/dbraw/zinc/95/83/46/589958346.db2.gz WKJDFDJVJLTMEL-SNVBAGLBSA-N 1 2 248.298 0.793 20 0 BCADLO FC(F)[C@@H]1CC[N@H+](Cn2cnnc2)CCO1 ZINC000872680975 589960770 /nfs/dbraw/zinc/96/07/70/589960770.db2.gz NLSLEHDXMHQKFQ-QMMMGPOBSA-N 1 2 232.234 0.592 20 0 BCADLO FC(F)[C@@H]1CC[N@@H+](Cn2cnnc2)CCO1 ZINC000872680975 589960772 /nfs/dbraw/zinc/96/07/72/589960772.db2.gz NLSLEHDXMHQKFQ-QMMMGPOBSA-N 1 2 232.234 0.592 20 0 BCADLO CC1(C[NH2+]Cc2ccon2)OCCCO1 ZINC000873113625 589985132 /nfs/dbraw/zinc/98/51/32/589985132.db2.gz HJTGAHIOVAUTIY-UHFFFAOYSA-N 1 2 212.249 0.917 20 0 BCADLO C[C@H](O)c1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC000124937217 590102459 /nfs/dbraw/zinc/10/24/59/590102459.db2.gz IWOFRVQFXNLQDL-WPRPVWTQSA-N 1 2 208.261 0.706 20 0 BCADLO CCONC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000124986168 590107876 /nfs/dbraw/zinc/10/78/76/590107876.db2.gz JYWYDTPKDKWAIR-UWVGGRQHSA-N 1 2 245.323 0.346 20 0 BCADLO COC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000874460980 590112622 /nfs/dbraw/zinc/11/26/22/590112622.db2.gz BZVKLMQDPJHFEE-RKDXNWHRSA-N 1 2 221.260 0.370 20 0 BCADLO COC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000874460980 590112623 /nfs/dbraw/zinc/11/26/23/590112623.db2.gz BZVKLMQDPJHFEE-RKDXNWHRSA-N 1 2 221.260 0.370 20 0 BCADLO Cc1nccnc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000874659491 590121452 /nfs/dbraw/zinc/12/14/52/590121452.db2.gz SZKSWRBNNCKGFC-JTQLQIEISA-N 1 2 245.286 0.859 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)OC ZINC000874703601 590124164 /nfs/dbraw/zinc/12/41/64/590124164.db2.gz RUBRQPIIBAJIBV-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)OC ZINC000874703601 590124165 /nfs/dbraw/zinc/12/41/65/590124165.db2.gz RUBRQPIIBAJIBV-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)OC ZINC000874703600 590124601 /nfs/dbraw/zinc/12/46/01/590124601.db2.gz RUBRQPIIBAJIBV-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)OC ZINC000874703600 590124602 /nfs/dbraw/zinc/12/46/02/590124602.db2.gz RUBRQPIIBAJIBV-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000875016726 590159654 /nfs/dbraw/zinc/15/96/54/590159654.db2.gz VPBUBYPYRMRUAQ-SCZZXKLOSA-N 1 2 234.303 0.906 20 0 BCADLO CCON(CC)C(=O)NCc1[nH+]ccn1C ZINC000875228353 590161702 /nfs/dbraw/zinc/16/17/02/590161702.db2.gz BFICYYILCXPQGD-UHFFFAOYSA-N 1 2 226.280 0.903 20 0 BCADLO C[C@@H](NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000125367453 590162748 /nfs/dbraw/zinc/16/27/48/590162748.db2.gz IDKLHAQZLBHMTR-SSDOTTSWSA-N 1 2 217.232 0.691 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NC1(C)COC1 ZINC000875591176 590166236 /nfs/dbraw/zinc/16/62/36/590166236.db2.gz GPRYIQBTQJWIDV-UHFFFAOYSA-N 1 2 224.264 0.008 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC1OCCO1 ZINC000125890891 590196330 /nfs/dbraw/zinc/19/63/30/590196330.db2.gz LVFIDDJYCLJONN-RTHLEPHNSA-N 1 2 221.322 0.058 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC1OCCO1 ZINC000125890891 590196331 /nfs/dbraw/zinc/19/63/31/590196331.db2.gz LVFIDDJYCLJONN-RTHLEPHNSA-N 1 2 221.322 0.058 20 0 BCADLO C[N@@H+]1CCn2nc(NC(=O)C3=CCC3)cc2C1 ZINC000876445989 590200848 /nfs/dbraw/zinc/20/08/48/590200848.db2.gz JCJSRNZDFAOQLA-UHFFFAOYSA-N 1 2 232.287 0.987 20 0 BCADLO C[N@H+]1CCn2nc(NC(=O)C3=CCC3)cc2C1 ZINC000876445989 590200850 /nfs/dbraw/zinc/20/08/50/590200850.db2.gz JCJSRNZDFAOQLA-UHFFFAOYSA-N 1 2 232.287 0.987 20 0 BCADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000876523241 590208030 /nfs/dbraw/zinc/20/80/30/590208030.db2.gz PFLHYNCQRKFEMJ-DTWKUNHWSA-N 1 2 249.270 0.802 20 0 BCADLO CC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCNC1=O ZINC000876522827 590208051 /nfs/dbraw/zinc/20/80/51/590208051.db2.gz DAGSWPNQJDSDFI-GFCCVEGCSA-N 1 2 248.286 0.519 20 0 BCADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000876687956 590230306 /nfs/dbraw/zinc/23/03/06/590230306.db2.gz FTWDDCKZWSAKHX-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000876687956 590230307 /nfs/dbraw/zinc/23/03/07/590230307.db2.gz FTWDDCKZWSAKHX-UHFFFAOYSA-N 1 2 235.287 0.498 20 0 BCADLO CC1(C)CC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000876743583 590233658 /nfs/dbraw/zinc/23/36/58/590233658.db2.gz JFABGNLDQHFTTE-UHFFFAOYSA-N 1 2 244.316 0.911 20 0 BCADLO CC1(C)CC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000876743583 590233659 /nfs/dbraw/zinc/23/36/59/590233659.db2.gz JFABGNLDQHFTTE-UHFFFAOYSA-N 1 2 244.316 0.911 20 0 BCADLO CCCn1cc(C[N@H+](C)CC[C@@H](C)O)nn1 ZINC000876746776 590236839 /nfs/dbraw/zinc/23/68/39/590236839.db2.gz WSYDEGXGFJXUOL-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1cc(C[N@@H+](C)CC[C@@H](C)O)nn1 ZINC000876746776 590236840 /nfs/dbraw/zinc/23/68/40/590236840.db2.gz WSYDEGXGFJXUOL-SNVBAGLBSA-N 1 2 226.324 0.891 20 0 BCADLO CCNS(=O)(=O)CC[NH2+]Cc1ncc(C)o1 ZINC000877007971 590268873 /nfs/dbraw/zinc/26/88/73/590268873.db2.gz IXODSOMLQKNOSQ-UHFFFAOYSA-N 1 2 247.320 0.012 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000877432098 590326068 /nfs/dbraw/zinc/32/60/68/590326068.db2.gz AQOXQCBEDJGMMU-JQWIXIFHSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000877432098 590326071 /nfs/dbraw/zinc/32/60/71/590326071.db2.gz AQOXQCBEDJGMMU-JQWIXIFHSA-N 1 2 238.335 0.891 20 0 BCADLO COc1cnc(F)c(C[NH2+][C@H](C)C(N)=O)c1 ZINC000877481241 590337121 /nfs/dbraw/zinc/33/71/21/590337121.db2.gz ZWMCLDZNBMQUGM-ZCFIWIBFSA-N 1 2 227.239 0.193 20 0 BCADLO CC1(O)C[NH+](Cc2cnn3c2CCC3)C1 ZINC000877581175 590365178 /nfs/dbraw/zinc/36/51/78/590365178.db2.gz PIAYOHOUKPJCTB-UHFFFAOYSA-N 1 2 207.277 0.396 20 0 BCADLO COCC1(O)C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000877582469 590366372 /nfs/dbraw/zinc/36/63/72/590366372.db2.gz XNTDKAXIDHHXFL-SSDOTTSWSA-N 1 2 240.130 0.873 20 0 BCADLO CCC[C@@H](C[NH+]1CC2(C1)CNC(=O)O2)OC ZINC000877595938 590369594 /nfs/dbraw/zinc/36/95/94/590369594.db2.gz GDCFJHMHUXWSQB-VIFPVBQESA-N 1 2 228.292 0.596 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](CC)C1CC1 ZINC000877613486 590373253 /nfs/dbraw/zinc/37/32/53/590373253.db2.gz KCYKNAIYYPYJKS-VIFPVBQESA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCC12CCC2 ZINC000877613651 590373454 /nfs/dbraw/zinc/37/34/54/590373454.db2.gz OMWJDNMKDZDTQR-VIFPVBQESA-N 1 2 212.293 0.976 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000877749643 590414791 /nfs/dbraw/zinc/41/47/91/590414791.db2.gz ZSFBUGJLYMLWRE-MNOVXSKESA-N 1 2 238.287 0.480 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000877749643 590414794 /nfs/dbraw/zinc/41/47/94/590414794.db2.gz ZSFBUGJLYMLWRE-MNOVXSKESA-N 1 2 238.287 0.480 20 0 BCADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749760 590414960 /nfs/dbraw/zinc/41/49/60/590414960.db2.gz UIXICTMWLXGFIJ-ZJUUUORDSA-N 1 2 245.710 0.001 20 0 BCADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749760 590414961 /nfs/dbraw/zinc/41/49/61/590414961.db2.gz UIXICTMWLXGFIJ-ZJUUUORDSA-N 1 2 245.710 0.001 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000877752639 590415488 /nfs/dbraw/zinc/41/54/88/590415488.db2.gz RNWZIWTUWIDLQR-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000877752639 590415491 /nfs/dbraw/zinc/41/54/91/590415491.db2.gz RNWZIWTUWIDLQR-LLVKDONJSA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877751525 590416206 /nfs/dbraw/zinc/41/62/06/590416206.db2.gz CRROQDOSRVKNKF-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877751525 590416208 /nfs/dbraw/zinc/41/62/08/590416208.db2.gz CRROQDOSRVKNKF-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO COC(=O)C1(O)C[NH+](C[C@@](C)(OC)C2CC2)C1 ZINC000877770277 590421492 /nfs/dbraw/zinc/42/14/92/590421492.db2.gz FACRCXCAKMNVCE-LLVKDONJSA-N 1 2 243.303 0.021 20 0 BCADLO CC[C@@](C)(C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877771220 590421884 /nfs/dbraw/zinc/42/18/84/590421884.db2.gz SQVPUVVUJPVTFD-JTQLQIEISA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@](C)(C[NH+]1CC(O)(C(=O)OC)C1)OC ZINC000877771221 590422650 /nfs/dbraw/zinc/42/26/50/590422650.db2.gz SQVPUVVUJPVTFD-SNVBAGLBSA-N 1 2 231.292 0.021 20 0 BCADLO CO[C@@H](C)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000877790866 590423951 /nfs/dbraw/zinc/42/39/51/590423951.db2.gz XNXSRZTYVWHWPI-BJOHPYRUSA-N 1 2 235.353 0.230 20 0 BCADLO CO[C@H](C)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000877790882 590424404 /nfs/dbraw/zinc/42/44/04/590424404.db2.gz XNXSRZTYVWHWPI-RFAUZJTJSA-N 1 2 235.353 0.230 20 0 BCADLO OCC1(CO)CC[NH+](Cc2nccs2)CC1 ZINC000877798079 590424909 /nfs/dbraw/zinc/42/49/09/590424909.db2.gz WUPKNFXXKCYLSQ-UHFFFAOYSA-N 1 2 242.344 0.710 20 0 BCADLO OCC1(CO)CC[NH+](Cc2cscn2)CC1 ZINC000877797176 590424948 /nfs/dbraw/zinc/42/49/48/590424948.db2.gz FJHJMGHRRVVSDS-UHFFFAOYSA-N 1 2 242.344 0.710 20 0 BCADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)ccn1 ZINC000877826220 590427877 /nfs/dbraw/zinc/42/78/77/590427877.db2.gz UOIGHQWMSSHONT-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)ccn1 ZINC000877826220 590427880 /nfs/dbraw/zinc/42/78/80/590427880.db2.gz UOIGHQWMSSHONT-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cnccc1C[N@H+](C)CCS(N)(=O)=O ZINC000877826311 590428533 /nfs/dbraw/zinc/42/85/33/590428533.db2.gz YQBRGNZAQKHXAK-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO Cc1cnccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826311 590428534 /nfs/dbraw/zinc/42/85/34/590428534.db2.gz YQBRGNZAQKHXAK-UHFFFAOYSA-N 1 2 243.332 0.110 20 0 BCADLO CCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000877901185 590443904 /nfs/dbraw/zinc/44/39/04/590443904.db2.gz TYFNFRCTDPGPRO-UHFFFAOYSA-N 1 2 235.291 0.650 20 0 BCADLO CCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000877901185 590443905 /nfs/dbraw/zinc/44/39/05/590443905.db2.gz TYFNFRCTDPGPRO-UHFFFAOYSA-N 1 2 235.291 0.650 20 0 BCADLO CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000877935646 590451787 /nfs/dbraw/zinc/45/17/87/590451787.db2.gz QCEIHBOSDGFPNT-UHFFFAOYSA-N 1 2 247.302 0.650 20 0 BCADLO C[C@H]1CCCC[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000877936008 590451790 /nfs/dbraw/zinc/45/17/90/590451790.db2.gz QBFXHLNYSOEVFS-VIFPVBQESA-N 1 2 247.302 0.792 20 0 BCADLO C[C@H]1CCCC[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000877936008 590451792 /nfs/dbraw/zinc/45/17/92/590451792.db2.gz QBFXHLNYSOEVFS-VIFPVBQESA-N 1 2 247.302 0.792 20 0 BCADLO Cc1conc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000877941670 590453418 /nfs/dbraw/zinc/45/34/18/590453418.db2.gz KFRJMFVJZGNJEC-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1conc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000877941670 590453420 /nfs/dbraw/zinc/45/34/20/590453420.db2.gz KFRJMFVJZGNJEC-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO CC[N@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000877955217 590456080 /nfs/dbraw/zinc/45/60/80/590456080.db2.gz UOTWIKZQUSJRDP-UHFFFAOYSA-N 1 2 233.275 0.402 20 0 BCADLO CC[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000877955217 590456082 /nfs/dbraw/zinc/45/60/82/590456082.db2.gz UOTWIKZQUSJRDP-UHFFFAOYSA-N 1 2 233.275 0.402 20 0 BCADLO c1cc([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)[nH]n1 ZINC000877975695 590464433 /nfs/dbraw/zinc/46/44/33/590464433.db2.gz CVGJTOAKQPIXQL-SNVBAGLBSA-N 1 2 247.306 0.276 20 0 BCADLO c1cc([C@@H]2CCC[N@H+](CCn3cnnn3)C2)[nH]n1 ZINC000877975695 590464434 /nfs/dbraw/zinc/46/44/34/590464434.db2.gz CVGJTOAKQPIXQL-SNVBAGLBSA-N 1 2 247.306 0.276 20 0 BCADLO CC(C)C[N@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878001525 590470239 /nfs/dbraw/zinc/47/02/39/590470239.db2.gz SPNXFHSQCPGRTK-INIZCTEOSA-N 1 2 249.380 0.675 20 0 BCADLO CC(C)C[N@@H+](C)CC(=O)N=[S@](C)(=O)N(C)C ZINC000878001525 590470242 /nfs/dbraw/zinc/47/02/42/590470242.db2.gz SPNXFHSQCPGRTK-INIZCTEOSA-N 1 2 249.380 0.675 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878040732 590478152 /nfs/dbraw/zinc/47/81/52/590478152.db2.gz MYZWPJXAEVMQGL-WYUUTHIRSA-N 1 2 238.331 0.764 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878040732 590478153 /nfs/dbraw/zinc/47/81/53/590478153.db2.gz MYZWPJXAEVMQGL-WYUUTHIRSA-N 1 2 238.331 0.764 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CC(C)(C)CO1 ZINC000878043995 590479582 /nfs/dbraw/zinc/47/95/82/590479582.db2.gz DFPNRBUEYGEPIU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC(C)(C)CO1 ZINC000878043995 590479583 /nfs/dbraw/zinc/47/95/83/590479583.db2.gz DFPNRBUEYGEPIU-JTQLQIEISA-N 1 2 249.376 0.778 20 0 BCADLO CC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000878047961 590481546 /nfs/dbraw/zinc/48/15/46/590481546.db2.gz VWOVRPPRONXRGX-SNVBAGLBSA-N 1 2 213.277 0.803 20 0 BCADLO CC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000878047961 590481548 /nfs/dbraw/zinc/48/15/48/590481548.db2.gz VWOVRPPRONXRGX-SNVBAGLBSA-N 1 2 213.277 0.803 20 0 BCADLO CN1CC[N@H+](C[C@H]2CCC3(CCC3)O2)CC1=O ZINC000878123847 590500068 /nfs/dbraw/zinc/50/00/68/590500068.db2.gz CRRGOGGERKUGPH-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)CC1=O ZINC000878123847 590500070 /nfs/dbraw/zinc/50/00/70/590500070.db2.gz CRRGOGGERKUGPH-LLVKDONJSA-N 1 2 238.331 0.862 20 0 BCADLO Cn1ccn2c(C[N@H+](C)C3CCC3)nnc2c1=O ZINC000878135929 590504776 /nfs/dbraw/zinc/50/47/76/590504776.db2.gz PSFNURUTGKCDLL-UHFFFAOYSA-N 1 2 247.302 0.412 20 0 BCADLO Cn1ccn2c(C[N@@H+](C)C3CCC3)nnc2c1=O ZINC000878135929 590504778 /nfs/dbraw/zinc/50/47/78/590504778.db2.gz PSFNURUTGKCDLL-UHFFFAOYSA-N 1 2 247.302 0.412 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2scnc2Cl)C1 ZINC000878155543 590509542 /nfs/dbraw/zinc/50/95/42/590509542.db2.gz IIBBVRZVGBVHTN-KNVOCYPGSA-N 1 2 248.735 0.724 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2scnc2Cl)C1 ZINC000878155543 590509543 /nfs/dbraw/zinc/50/95/43/590509543.db2.gz IIBBVRZVGBVHTN-KNVOCYPGSA-N 1 2 248.735 0.724 20 0 BCADLO C[N@H+](CCC1CC1)Cc1nnc2c(=O)[nH]ccn12 ZINC000878287943 590534185 /nfs/dbraw/zinc/53/41/85/590534185.db2.gz JYYUJQMQABKGLW-UHFFFAOYSA-N 1 2 247.302 0.650 20 0 BCADLO C[N@@H+](CCC1CC1)Cc1nnc2c(=O)[nH]ccn12 ZINC000878287943 590534187 /nfs/dbraw/zinc/53/41/87/590534187.db2.gz JYYUJQMQABKGLW-UHFFFAOYSA-N 1 2 247.302 0.650 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nccn2CC(F)F)C[C@@H]1O ZINC000878335725 590549133 /nfs/dbraw/zinc/54/91/33/590549133.db2.gz QHHVZLNGTOULOR-BDAKNGLRSA-N 1 2 245.273 0.961 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nccn2CC(F)F)C[C@@H]1O ZINC000878335725 590549136 /nfs/dbraw/zinc/54/91/36/590549136.db2.gz QHHVZLNGTOULOR-BDAKNGLRSA-N 1 2 245.273 0.961 20 0 BCADLO C=C/C=C/CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000878432956 590566586 /nfs/dbraw/zinc/56/65/86/590566586.db2.gz NUUPVWKHWQPWJK-ONEGZZNKSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C/CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000878432956 590566587 /nfs/dbraw/zinc/56/65/87/590566587.db2.gz NUUPVWKHWQPWJK-ONEGZZNKSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C/CC[N@@H+]1CCn2c(=O)[nH]nc2C1 ZINC000878432956 590566590 /nfs/dbraw/zinc/56/65/90/590566590.db2.gz NUUPVWKHWQPWJK-ONEGZZNKSA-N 1 2 220.276 0.932 20 0 BCADLO C=C/C=C/CC[N@H+]1CCn2c(=O)[nH]nc2C1 ZINC000878432956 590566591 /nfs/dbraw/zinc/56/65/91/590566591.db2.gz NUUPVWKHWQPWJK-ONEGZZNKSA-N 1 2 220.276 0.932 20 0 BCADLO c1nnnn1CC[N@@H+]1Cc2ccncc2C1 ZINC000878608825 590595388 /nfs/dbraw/zinc/59/53/88/590595388.db2.gz FAHHIHLVNOCMDX-UHFFFAOYSA-N 1 2 216.248 0.084 20 0 BCADLO c1nnnn1CC[N@H+]1Cc2ccncc2C1 ZINC000878608825 590595389 /nfs/dbraw/zinc/59/53/89/590595389.db2.gz FAHHIHLVNOCMDX-UHFFFAOYSA-N 1 2 216.248 0.084 20 0 BCADLO C[C@]1([NH2+]CCc2ccccn2)CCOC1=O ZINC000878631370 590597600 /nfs/dbraw/zinc/59/76/00/590597600.db2.gz FKBRHVUTGKKRPJ-LBPRGKRZSA-N 1 2 220.272 0.919 20 0 BCADLO C=C/C=C/CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000878635275 590598125 /nfs/dbraw/zinc/59/81/25/590598125.db2.gz JMHIWDNRAFJPCU-ONEGZZNKSA-N 1 2 234.303 0.718 20 0 BCADLO C=C/C=C/CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000878635275 590598126 /nfs/dbraw/zinc/59/81/26/590598126.db2.gz JMHIWDNRAFJPCU-ONEGZZNKSA-N 1 2 234.303 0.718 20 0 BCADLO C[C@]1([NH2+]C[C@H]2CCc3ncnn32)CCOC1=O ZINC000878633241 590598160 /nfs/dbraw/zinc/59/81/60/590598160.db2.gz WKIGOIZJNSGNDZ-KCJUWKMLSA-N 1 2 236.275 0.061 20 0 BCADLO CC(C)[C@@H](O)CC[NH2+][C@]1(C)CCOC1=O ZINC000878633214 590598513 /nfs/dbraw/zinc/59/85/13/590598513.db2.gz WFTXANOIQJSQLC-GXSJLCMTSA-N 1 2 215.293 0.689 20 0 BCADLO O=C(COC1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000878685047 590609418 /nfs/dbraw/zinc/60/94/18/590609418.db2.gz CAQFBOJXDNHTIH-UHFFFAOYSA-N 1 2 248.282 0.850 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000878685326 590609515 /nfs/dbraw/zinc/60/95/15/590609515.db2.gz UGARUJFLBMQTQA-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)NCC(F)(F)F ZINC000878685326 590609517 /nfs/dbraw/zinc/60/95/17/590609517.db2.gz UGARUJFLBMQTQA-RNFRBKRXSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCF ZINC000878751585 590618490 /nfs/dbraw/zinc/61/84/90/590618490.db2.gz BGZUXIUEQLPZFA-HRDYMLBCSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCF ZINC000878751585 590618492 /nfs/dbraw/zinc/61/84/92/590618492.db2.gz BGZUXIUEQLPZFA-HRDYMLBCSA-N 1 2 202.273 0.895 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](CC[S@@](C)=O)[C@@H](C)C(=O)N1C ZINC000878751610 590618508 /nfs/dbraw/zinc/61/85/08/590618508.db2.gz BIXVUGWXVCNISE-ILMIYZIASA-N 1 2 246.376 0.304 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](CC[S@@](C)=O)[C@@H](C)C(=O)N1C ZINC000878751610 590618510 /nfs/dbraw/zinc/61/85/10/590618510.db2.gz BIXVUGWXVCNISE-ILMIYZIASA-N 1 2 246.376 0.304 20 0 BCADLO CN(C)[S@](C)(=O)=NC(=O)C[N@H+](C)C(C)(C)C ZINC000878769512 590620336 /nfs/dbraw/zinc/62/03/36/590620336.db2.gz PQLIIQKMNNFSRG-MRXNPFEDSA-N 1 2 249.380 0.818 20 0 BCADLO CN(C)[S@](C)(=O)=NC(=O)C[N@@H+](C)C(C)(C)C ZINC000878769512 590620338 /nfs/dbraw/zinc/62/03/38/590620338.db2.gz PQLIIQKMNNFSRG-MRXNPFEDSA-N 1 2 249.380 0.818 20 0 BCADLO CN(C)[S@@](C)(=O)=NC(=O)C[N@H+](C)C(C)(C)C ZINC000878769511 590620720 /nfs/dbraw/zinc/62/07/20/590620720.db2.gz PQLIIQKMNNFSRG-INIZCTEOSA-N 1 2 249.380 0.818 20 0 BCADLO CN(C)[S@@](C)(=O)=NC(=O)C[N@@H+](C)C(C)(C)C ZINC000878769511 590620722 /nfs/dbraw/zinc/62/07/22/590620722.db2.gz PQLIIQKMNNFSRG-INIZCTEOSA-N 1 2 249.380 0.818 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000878816137 590627076 /nfs/dbraw/zinc/62/70/76/590627076.db2.gz NACAUOZPVPAULU-ATZCPNFKSA-N 1 2 235.287 0.841 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917179 590636080 /nfs/dbraw/zinc/63/60/80/590636080.db2.gz CPRKUYWFTDYHCQ-VIFPVBQESA-N 1 2 212.249 0.102 20 0 BCADLO CC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917179 590636085 /nfs/dbraw/zinc/63/60/85/590636085.db2.gz CPRKUYWFTDYHCQ-VIFPVBQESA-N 1 2 212.249 0.102 20 0 BCADLO CN(CC(=O)N=S(C)(C)=O)Cc1c[nH+]c[nH]1 ZINC000878884895 590639640 /nfs/dbraw/zinc/63/96/40/590639640.db2.gz OJJIACWMYDKXMK-UHFFFAOYSA-N 1 2 244.320 0.096 20 0 BCADLO CN(CC(=O)N=S(C)(C)=O)Cc1c[nH]c[nH+]1 ZINC000878884895 590639642 /nfs/dbraw/zinc/63/96/42/590639642.db2.gz OJJIACWMYDKXMK-UHFFFAOYSA-N 1 2 244.320 0.096 20 0 BCADLO CCCCOC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000878883342 590640592 /nfs/dbraw/zinc/64/05/92/590640592.db2.gz IRMALVWMPGQTLE-GHMZBOCLSA-N 1 2 245.319 0.147 20 0 BCADLO C[N@H+](CC[S@@](C)=O)Cc1ccns1 ZINC000878898929 590643607 /nfs/dbraw/zinc/64/36/07/590643607.db2.gz BXTBNPNXNZPTLJ-CYBMUJFWSA-N 1 2 218.347 0.953 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)Cc1ccns1 ZINC000878898929 590643610 /nfs/dbraw/zinc/64/36/10/590643610.db2.gz BXTBNPNXNZPTLJ-CYBMUJFWSA-N 1 2 218.347 0.953 20 0 BCADLO CO[C@H]1C[N@H+](CCCc2cnn(C)c2)CCO1 ZINC000878966251 590661927 /nfs/dbraw/zinc/66/19/27/590661927.db2.gz IQWNSVQABKWTCP-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CO[C@H]1C[N@@H+](CCCc2cnn(C)c2)CCO1 ZINC000878966251 590661929 /nfs/dbraw/zinc/66/19/29/590661929.db2.gz IQWNSVQABKWTCP-GFCCVEGCSA-N 1 2 239.319 0.657 20 0 BCADLO CO[C@@H]1C[N@H+](CCCN2CCOC2=O)CCO1 ZINC000878967706 590663407 /nfs/dbraw/zinc/66/34/07/590663407.db2.gz WOTNKYIGUKNTHE-JTQLQIEISA-N 1 2 244.291 0.133 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCN2CCOC2=O)CCO1 ZINC000878967706 590663410 /nfs/dbraw/zinc/66/34/10/590663410.db2.gz WOTNKYIGUKNTHE-JTQLQIEISA-N 1 2 244.291 0.133 20 0 BCADLO CO[C@@H]1C[N@H+](CCC(=O)N2CCCC2)CCO1 ZINC000878970472 590664886 /nfs/dbraw/zinc/66/48/86/590664886.db2.gz QYPVZIZYCVYDTE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO CO[C@@H]1C[N@@H+](CCC(=O)N2CCCC2)CCO1 ZINC000878970472 590664887 /nfs/dbraw/zinc/66/48/87/590664887.db2.gz QYPVZIZYCVYDTE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO Cl/C=C/C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878986703 590669685 /nfs/dbraw/zinc/66/96/85/590669685.db2.gz WQAFTGWMLUZMQV-TXXBHVLJSA-N 1 2 242.710 0.731 20 0 BCADLO Cl/C=C/C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878986703 590669687 /nfs/dbraw/zinc/66/96/87/590669687.db2.gz WQAFTGWMLUZMQV-TXXBHVLJSA-N 1 2 242.710 0.731 20 0 BCADLO Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)nc1Cl ZINC000879032111 590681152 /nfs/dbraw/zinc/68/11/52/590681152.db2.gz LESBKODHPXZDCA-UWVGGRQHSA-N 1 2 242.706 0.581 20 0 BCADLO NC(=O)[C@H](F)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000879046239 590685386 /nfs/dbraw/zinc/68/53/86/590685386.db2.gz SYKYNFNRJCRUFV-SNVBAGLBSA-N 1 2 240.282 0.445 20 0 BCADLO NC(=O)[C@H](F)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000879046239 590685390 /nfs/dbraw/zinc/68/53/90/590685390.db2.gz SYKYNFNRJCRUFV-SNVBAGLBSA-N 1 2 240.282 0.445 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CC=C[C@H]1CO ZINC000879072880 590692270 /nfs/dbraw/zinc/69/22/70/590692270.db2.gz LSBSPXNFFSLLND-JTQLQIEISA-N 1 2 233.271 0.577 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2C[C@H](C)OC2=O)cc[nH+]1 ZINC000879069114 590692326 /nfs/dbraw/zinc/69/23/26/590692326.db2.gz KKQBYKSCDFWDAD-WPRPVWTQSA-N 1 2 249.270 0.637 20 0 BCADLO Cc1cc(NC(=O)NC[C@H]2COCO2)cc[nH+]1 ZINC000879068811 590692333 /nfs/dbraw/zinc/69/23/33/590692333.db2.gz DDOZAZNASJFBGT-JTQLQIEISA-N 1 2 237.259 0.306 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CCOC2=O)c(C)c[nH+]1 ZINC000879073303 590693118 /nfs/dbraw/zinc/69/31/18/590693118.db2.gz BPPNVGXVWMKMAK-VIFPVBQESA-N 1 2 249.270 0.557 20 0 BCADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)CC(C)(C)O ZINC000879188481 590710921 /nfs/dbraw/zinc/71/09/21/590710921.db2.gz MNRVDSDZNGWRBU-NSHDSACASA-N 1 2 241.335 0.672 20 0 BCADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)CC(C)(C)O ZINC000879188481 590710922 /nfs/dbraw/zinc/71/09/22/590710922.db2.gz MNRVDSDZNGWRBU-NSHDSACASA-N 1 2 241.335 0.672 20 0 BCADLO CC(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879233568 590717978 /nfs/dbraw/zinc/71/79/78/590717978.db2.gz CYVFSJZHKWDBSS-UHFFFAOYSA-N 1 2 246.310 0.662 20 0 BCADLO CC(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879233568 590717980 /nfs/dbraw/zinc/71/79/80/590717980.db2.gz CYVFSJZHKWDBSS-UHFFFAOYSA-N 1 2 246.310 0.662 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnsn2)[C@@](C)(CO)C1 ZINC000879262429 590724427 /nfs/dbraw/zinc/72/44/27/590724427.db2.gz WLXDMHUVDSFWKL-VHSXEESVSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnsn2)[C@@](C)(CO)C1 ZINC000879262429 590724430 /nfs/dbraw/zinc/72/44/30/590724430.db2.gz WLXDMHUVDSFWKL-VHSXEESVSA-N 1 2 243.332 0.510 20 0 BCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COC2CC2)C1 ZINC000879298142 590730312 /nfs/dbraw/zinc/73/03/12/590730312.db2.gz UZABSZKSXIOVKO-SNVBAGLBSA-N 1 2 249.314 0.915 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319610 590740123 /nfs/dbraw/zinc/74/01/23/590740123.db2.gz AYLVFRZIXIYGAU-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879319610 590740126 /nfs/dbraw/zinc/74/01/26/590740126.db2.gz AYLVFRZIXIYGAU-SFYZADRCSA-N 1 2 226.280 0.510 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2ncnn2C)C1 ZINC000879323517 590742826 /nfs/dbraw/zinc/74/28/26/590742826.db2.gz QLQRNRUPLCSJPB-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ncnn2C)C1 ZINC000879323517 590742830 /nfs/dbraw/zinc/74/28/30/590742830.db2.gz QLQRNRUPLCSJPB-UWVGGRQHSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cnn(C)n2)C1 ZINC000879325826 590746172 /nfs/dbraw/zinc/74/61/72/590746172.db2.gz ODRHBTXPVYHGKY-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnn(C)n2)C1 ZINC000879325826 590746174 /nfs/dbraw/zinc/74/61/74/590746174.db2.gz ODRHBTXPVYHGKY-MWLCHTKSSA-N 1 2 224.308 0.814 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@H+](CCc2cnn[nH]2)C1 ZINC000879327557 590747904 /nfs/dbraw/zinc/74/79/04/590747904.db2.gz WMELWGVFUNZLAM-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CO[C@H]1CC[C@@H](C)[N@@H+](CCc2cnn[nH]2)C1 ZINC000879327557 590747908 /nfs/dbraw/zinc/74/79/08/590747908.db2.gz WMELWGVFUNZLAM-KOLCDFICSA-N 1 2 224.308 0.847 20 0 BCADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC000879612207 590829643 /nfs/dbraw/zinc/82/96/43/590829643.db2.gz SPZLKKDITXSCND-ZJUUUORDSA-N 1 2 240.303 0.726 20 0 BCADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC000879612207 590829644 /nfs/dbraw/zinc/82/96/44/590829644.db2.gz SPZLKKDITXSCND-ZJUUUORDSA-N 1 2 240.303 0.726 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879622115 590836187 /nfs/dbraw/zinc/83/61/87/590836187.db2.gz HKQJWNXTQSBWPW-NXEZZACHSA-N 1 2 242.319 0.242 20 0 BCADLO CCN1OC[C@@H]([N@H+]2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879622115 590836190 /nfs/dbraw/zinc/83/61/90/590836190.db2.gz HKQJWNXTQSBWPW-NXEZZACHSA-N 1 2 242.319 0.242 20 0 BCADLO CC1(C)C[C@H](O)C[N@H+](Cc2cnon2)C1 ZINC000879624709 590838282 /nfs/dbraw/zinc/83/82/82/590838282.db2.gz ZOBOJHZAWLTPLU-VIFPVBQESA-N 1 2 211.265 0.662 20 0 BCADLO CC1(C)C[C@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000879624709 590838283 /nfs/dbraw/zinc/83/82/83/590838283.db2.gz ZOBOJHZAWLTPLU-VIFPVBQESA-N 1 2 211.265 0.662 20 0 BCADLO CC(C)(O)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000879628414 590839468 /nfs/dbraw/zinc/83/94/68/590839468.db2.gz ROCHQAIJJOOMNF-UHFFFAOYSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000879628414 590839469 /nfs/dbraw/zinc/83/94/69/590839469.db2.gz ROCHQAIJJOOMNF-UHFFFAOYSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000879628414 590839470 /nfs/dbraw/zinc/83/94/70/590839470.db2.gz ROCHQAIJJOOMNF-UHFFFAOYSA-N 1 2 224.308 0.788 20 0 BCADLO CON(C)C(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000879799109 590876745 /nfs/dbraw/zinc/87/67/45/590876745.db2.gz GJNYMZYBKSTSBW-UHFFFAOYSA-N 1 2 228.292 0.955 20 0 BCADLO CON(C)C(=O)CC[N@H+]1OC2CCC1CC2 ZINC000879799109 590876748 /nfs/dbraw/zinc/87/67/48/590876748.db2.gz GJNYMZYBKSTSBW-UHFFFAOYSA-N 1 2 228.292 0.955 20 0 BCADLO CC(C)OCC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879940559 590892216 /nfs/dbraw/zinc/89/22/16/590892216.db2.gz XSDDCONGPCTYDZ-INIZCTEOSA-N 1 2 249.380 0.621 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@@H+](CCF)C[C@@H]2C1 ZINC000879935359 590892376 /nfs/dbraw/zinc/89/23/76/590892376.db2.gz IJCSUHUPPTUHOS-DTWKUNHWSA-N 1 2 221.297 0.322 20 0 BCADLO O=S1(=O)C[C@@H]2CC[N@H+](CCF)C[C@@H]2C1 ZINC000879935359 590892377 /nfs/dbraw/zinc/89/23/77/590892377.db2.gz IJCSUHUPPTUHOS-DTWKUNHWSA-N 1 2 221.297 0.322 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000879964467 590898788 /nfs/dbraw/zinc/89/87/88/590898788.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000879964467 590898791 /nfs/dbraw/zinc/89/87/91/590898791.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000879964467 590898793 /nfs/dbraw/zinc/89/87/93/590898793.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000879964467 590898795 /nfs/dbraw/zinc/89/87/95/590898795.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000879964467 590898797 /nfs/dbraw/zinc/89/87/97/590898797.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000879964467 590898800 /nfs/dbraw/zinc/89/88/00/590898800.db2.gz YQVPQYVSJRAQEE-SECBINFHSA-N 1 2 224.308 0.788 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000879964537 590899199 /nfs/dbraw/zinc/89/91/99/590899199.db2.gz ITJNDTXUIBPVPE-SNVBAGLBSA-N 1 2 238.335 0.830 20 0 BCADLO CC(C)(O)[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000879964537 590899203 /nfs/dbraw/zinc/89/92/03/590899203.db2.gz ITJNDTXUIBPVPE-SNVBAGLBSA-N 1 2 238.335 0.830 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879963774 590899471 /nfs/dbraw/zinc/89/94/71/590899471.db2.gz OQZXHOFJRIWIBY-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000879963774 590899473 /nfs/dbraw/zinc/89/94/73/590899473.db2.gz OQZXHOFJRIWIBY-QMMMGPOBSA-N 1 2 240.307 0.493 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999430 590907399 /nfs/dbraw/zinc/90/73/99/590907399.db2.gz DKZIQLDAFKUZJO-MRVPVSSYSA-N 1 2 249.240 0.984 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999430 590907401 /nfs/dbraw/zinc/90/74/01/590907401.db2.gz DKZIQLDAFKUZJO-MRVPVSSYSA-N 1 2 249.240 0.984 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000880147712 590944689 /nfs/dbraw/zinc/94/46/89/590944689.db2.gz HFYGHQSDPQBVBR-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000880147712 590944690 /nfs/dbraw/zinc/94/46/90/590944690.db2.gz HFYGHQSDPQBVBR-SSDOTTSWSA-N 1 2 226.280 0.103 20 0 BCADLO Cn1nncc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880168177 590948894 /nfs/dbraw/zinc/94/88/94/590948894.db2.gz CSZWMFVDSNMWKI-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO Cn1nncc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880168177 590948895 /nfs/dbraw/zinc/94/88/95/590948895.db2.gz CSZWMFVDSNMWKI-UHFFFAOYSA-N 1 2 249.318 0.060 20 0 BCADLO Cn1cnnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234227 590964441 /nfs/dbraw/zinc/96/44/41/590964441.db2.gz CWDNKCRQGRTFHX-VIFPVBQESA-N 1 2 212.272 0.997 20 0 BCADLO Cn1cnnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234227 590964442 /nfs/dbraw/zinc/96/44/42/590964442.db2.gz CWDNKCRQGRTFHX-VIFPVBQESA-N 1 2 212.272 0.997 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880237626 590967792 /nfs/dbraw/zinc/96/77/92/590967792.db2.gz YURDDPKMBYTJMU-MRVPVSSYSA-N 1 2 213.260 0.392 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880237626 590967795 /nfs/dbraw/zinc/96/77/95/590967795.db2.gz YURDDPKMBYTJMU-MRVPVSSYSA-N 1 2 213.260 0.392 20 0 BCADLO C[C@H](c1nnnn1C)[NH+]1CCC(F)CC1 ZINC000880240052 590974528 /nfs/dbraw/zinc/97/45/28/590974528.db2.gz LAOCPXCDHFXWPH-SSDOTTSWSA-N 1 2 213.260 0.705 20 0 BCADLO FC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000880243604 590976962 /nfs/dbraw/zinc/97/69/62/590976962.db2.gz NXDHCFBSJGKFHH-UHFFFAOYSA-N 1 2 225.271 0.942 20 0 BCADLO FC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000880290203 590984740 /nfs/dbraw/zinc/98/47/40/590984740.db2.gz UKNHWCFCNUSYAB-QMMMGPOBSA-N 1 2 225.271 0.799 20 0 BCADLO FC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000880290203 590984742 /nfs/dbraw/zinc/98/47/42/590984742.db2.gz UKNHWCFCNUSYAB-QMMMGPOBSA-N 1 2 225.271 0.799 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880296418 590990486 /nfs/dbraw/zinc/99/04/86/590990486.db2.gz BVAOENNIAWPEIO-LURJTMIESA-N 1 2 200.217 0.302 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880296418 590990490 /nfs/dbraw/zinc/99/04/90/590990490.db2.gz BVAOENNIAWPEIO-LURJTMIESA-N 1 2 200.217 0.302 20 0 BCADLO CC(C)=CC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362216 591010528 /nfs/dbraw/zinc/01/05/28/591010528.db2.gz JINUROCEOYBQIK-UHFFFAOYSA-N 1 2 247.302 0.816 20 0 BCADLO CC(C)=CC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362216 591010532 /nfs/dbraw/zinc/01/05/32/591010532.db2.gz JINUROCEOYBQIK-UHFFFAOYSA-N 1 2 247.302 0.816 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000880419713 591025147 /nfs/dbraw/zinc/02/51/47/591025147.db2.gz OYQYRXQLBLQILI-XVKPBYJWSA-N 1 2 225.679 0.697 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000880419713 591025148 /nfs/dbraw/zinc/02/51/48/591025148.db2.gz OYQYRXQLBLQILI-XVKPBYJWSA-N 1 2 225.679 0.697 20 0 BCADLO CCCCOC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417555 591026363 /nfs/dbraw/zinc/02/63/63/591026363.db2.gz PILMBDYAOKWJIH-MWLCHTKSSA-N 1 2 213.277 0.396 20 0 BCADLO CCCCOC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417555 591026368 /nfs/dbraw/zinc/02/63/68/591026368.db2.gz PILMBDYAOKWJIH-MWLCHTKSSA-N 1 2 213.277 0.396 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cnsn1 ZINC000880435602 591035972 /nfs/dbraw/zinc/03/59/72/591035972.db2.gz NIPKJCXMIQAVDD-UWVGGRQHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cnsn1 ZINC000880435602 591035975 /nfs/dbraw/zinc/03/59/75/591035975.db2.gz NIPKJCXMIQAVDD-UWVGGRQHSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cnsn1 ZINC000880435603 591036835 /nfs/dbraw/zinc/03/68/35/591036835.db2.gz NIPKJCXMIQAVDD-VHSXEESVSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cnsn1 ZINC000880435603 591036838 /nfs/dbraw/zinc/03/68/38/591036838.db2.gz NIPKJCXMIQAVDD-VHSXEESVSA-N 1 2 243.332 0.774 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1nnc(C)[nH]1 ZINC000880437561 591039901 /nfs/dbraw/zinc/03/99/01/591039901.db2.gz MZMBKXHNXVOMSH-UWVGGRQHSA-N 1 2 240.307 0.349 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000880437561 591039905 /nfs/dbraw/zinc/03/99/05/591039905.db2.gz MZMBKXHNXVOMSH-UWVGGRQHSA-N 1 2 240.307 0.349 20 0 BCADLO Cc1nnc(C[N@@H+]2CC=C[C@@H]2CO)n1C1CC1 ZINC000880485330 591058346 /nfs/dbraw/zinc/05/83/46/591058346.db2.gz BZCYHGBKKXENOB-LLVKDONJSA-N 1 2 234.303 0.654 20 0 BCADLO Cc1nnc(C[N@H+]2CC=C[C@@H]2CO)n1C1CC1 ZINC000880485330 591058351 /nfs/dbraw/zinc/05/83/51/591058351.db2.gz BZCYHGBKKXENOB-LLVKDONJSA-N 1 2 234.303 0.654 20 0 BCADLO O=C(C[N@H+]1CC=C[C@H]1CO)Nc1ccccc1 ZINC000880485768 591059890 /nfs/dbraw/zinc/05/98/90/591059890.db2.gz KWKLTUKXWDMFFF-LBPRGKRZSA-N 1 2 232.283 0.858 20 0 BCADLO O=C(C[N@@H+]1CC=C[C@H]1CO)Nc1ccccc1 ZINC000880485768 591059894 /nfs/dbraw/zinc/05/98/94/591059894.db2.gz KWKLTUKXWDMFFF-LBPRGKRZSA-N 1 2 232.283 0.858 20 0 BCADLO CS(=O)(=O)CC1(C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880488522 591064555 /nfs/dbraw/zinc/06/45/55/591064555.db2.gz GZCOTUDHSMMRQW-JTQLQIEISA-N 1 2 245.344 0.044 20 0 BCADLO CS(=O)(=O)CC1(C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880488522 591064559 /nfs/dbraw/zinc/06/45/59/591064559.db2.gz GZCOTUDHSMMRQW-JTQLQIEISA-N 1 2 245.344 0.044 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccc(F)cn1 ZINC000880489466 591065430 /nfs/dbraw/zinc/06/54/30/591065430.db2.gz UESXUOGFAGHLEF-NSHDSACASA-N 1 2 208.236 0.953 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1ccc(F)cn1 ZINC000880489466 591065435 /nfs/dbraw/zinc/06/54/35/591065435.db2.gz UESXUOGFAGHLEF-NSHDSACASA-N 1 2 208.236 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CC=C[C@H]1CO ZINC000880489602 591067029 /nfs/dbraw/zinc/06/70/29/591067029.db2.gz VXTCMHJYOHOVBT-NSHDSACASA-N 1 2 236.319 0.729 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CC=C[C@H]1CO ZINC000880489602 591067031 /nfs/dbraw/zinc/06/70/31/591067031.db2.gz VXTCMHJYOHOVBT-NSHDSACASA-N 1 2 236.319 0.729 20 0 BCADLO OC[C@@H]1C=CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000880489073 591067140 /nfs/dbraw/zinc/06/71/40/591067140.db2.gz PRLSMHXKFISCLU-VIFPVBQESA-N 1 2 225.679 0.863 20 0 BCADLO OC[C@@H]1C=CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000880489073 591067144 /nfs/dbraw/zinc/06/71/44/591067144.db2.gz PRLSMHXKFISCLU-VIFPVBQESA-N 1 2 225.679 0.863 20 0 BCADLO COc1nccc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880492384 591068040 /nfs/dbraw/zinc/06/80/40/591068040.db2.gz QXRGKGRENBSOAO-JTQLQIEISA-N 1 2 221.260 0.218 20 0 BCADLO COc1nccc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880492384 591068044 /nfs/dbraw/zinc/06/80/44/591068044.db2.gz QXRGKGRENBSOAO-JTQLQIEISA-N 1 2 221.260 0.218 20 0 BCADLO CCn1nncc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880491091 591069170 /nfs/dbraw/zinc/06/91/70/591069170.db2.gz GCANWFMBFASERL-SECBINFHSA-N 1 2 208.265 0.031 20 0 BCADLO CCn1nncc1C[N@H+]1CC=C[C@@H]1CO ZINC000880491091 591069174 /nfs/dbraw/zinc/06/91/74/591069174.db2.gz GCANWFMBFASERL-SECBINFHSA-N 1 2 208.265 0.031 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880525422 591084461 /nfs/dbraw/zinc/08/44/61/591084461.db2.gz GLHGHWPRYDGWOH-ZYHUDNBSSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880525422 591084464 /nfs/dbraw/zinc/08/44/64/591084464.db2.gz GLHGHWPRYDGWOH-ZYHUDNBSSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880525421 591084701 /nfs/dbraw/zinc/08/47/01/591084701.db2.gz GLHGHWPRYDGWOH-PWSUYJOCSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880525421 591084706 /nfs/dbraw/zinc/08/47/06/591084706.db2.gz GLHGHWPRYDGWOH-PWSUYJOCSA-N 1 2 248.330 0.521 20 0 BCADLO OC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000880592689 591103567 /nfs/dbraw/zinc/10/35/67/591103567.db2.gz YNYLEEYVOKLUQX-UHFFFAOYSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2ncncc2C1 ZINC000880599142 591107715 /nfs/dbraw/zinc/10/77/15/591107715.db2.gz GTYCSPDALRDMDB-MRVPVSSYSA-N 1 2 245.290 0.119 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCc2ncncc2C1 ZINC000880599142 591107718 /nfs/dbraw/zinc/10/77/18/591107718.db2.gz GTYCSPDALRDMDB-MRVPVSSYSA-N 1 2 245.290 0.119 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCc3ncncc3C2)C1=O ZINC000880598690 591108346 /nfs/dbraw/zinc/10/83/46/591108346.db2.gz VPQLQPOXLAUQQU-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCc3ncncc3C2)C1=O ZINC000880598690 591108347 /nfs/dbraw/zinc/10/83/47/591108347.db2.gz VPQLQPOXLAUQQU-GFCCVEGCSA-N 1 2 246.314 0.456 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC1CSC1 ZINC000880730234 591123281 /nfs/dbraw/zinc/12/32/81/591123281.db2.gz NRHKCNHXIIKXEX-UHFFFAOYSA-N 1 2 211.290 0.574 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NC1CSC1 ZINC000880730663 591130876 /nfs/dbraw/zinc/13/08/76/591130876.db2.gz ZJJBJZLZZQPWHV-UHFFFAOYSA-N 1 2 225.317 0.584 20 0 BCADLO CC(C)NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880809982 591143257 /nfs/dbraw/zinc/14/32/57/591143257.db2.gz LGCPPOVIELZVID-UHFFFAOYSA-N 1 2 237.307 0.858 20 0 BCADLO CC(C)NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880809982 591143260 /nfs/dbraw/zinc/14/32/60/591143260.db2.gz LGCPPOVIELZVID-UHFFFAOYSA-N 1 2 237.307 0.858 20 0 BCADLO CC[C@](C)(O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000881289835 591180819 /nfs/dbraw/zinc/18/08/19/591180819.db2.gz RHUSWECFKLPJRF-JTQLQIEISA-N 1 2 221.264 0.667 20 0 BCADLO COc1cc[nH+]c(Cn2cc(C(C)(C)O)nn2)c1 ZINC000881287316 591181341 /nfs/dbraw/zinc/18/13/41/591181341.db2.gz OIINWBWVFTWDCV-UHFFFAOYSA-N 1 2 248.286 0.957 20 0 BCADLO COC(=O)Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000881298493 591183066 /nfs/dbraw/zinc/18/30/66/591183066.db2.gz IWJVPMNHJWIJGX-UHFFFAOYSA-N 1 2 246.270 0.745 20 0 BCADLO C[C@@H](O)c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381373 591198048 /nfs/dbraw/zinc/19/80/48/591198048.db2.gz YGWRFWYFLSGAJQ-SECBINFHSA-N 1 2 247.302 0.841 20 0 BCADLO C[N@H+](CCO)Cc1cn(C/C=C\Cl)nn1 ZINC000881427160 591203886 /nfs/dbraw/zinc/20/38/86/591203886.db2.gz DXLAPHVZNXMFPT-IHWYPQMZSA-N 1 2 230.699 0.455 20 0 BCADLO C[N@@H+](CCO)Cc1cn(C/C=C\Cl)nn1 ZINC000881427160 591203889 /nfs/dbraw/zinc/20/38/89/591203889.db2.gz DXLAPHVZNXMFPT-IHWYPQMZSA-N 1 2 230.699 0.455 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(C/C=C\Cl)nn1 ZINC000881427512 591204889 /nfs/dbraw/zinc/20/48/89/591204889.db2.gz MYHAZPFTJTUDLL-YAJNLLPGSA-N 1 2 244.682 0.073 20 0 BCADLO CCCNc1cc(NCC(=O)N(C)C)nc[nH+]1 ZINC000129023379 591207836 /nfs/dbraw/zinc/20/78/36/591207836.db2.gz RCELJSBKERDJMF-UHFFFAOYSA-N 1 2 237.307 0.799 20 0 BCADLO CCCNc1cc(NCC(=O)N(C)C)[nH+]cn1 ZINC000129023379 591207837 /nfs/dbraw/zinc/20/78/37/591207837.db2.gz RCELJSBKERDJMF-UHFFFAOYSA-N 1 2 237.307 0.799 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C ZINC000881481790 591211249 /nfs/dbraw/zinc/21/12/49/591211249.db2.gz JMRJPCOTPNTFPG-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C ZINC000881481790 591211250 /nfs/dbraw/zinc/21/12/50/591211250.db2.gz JMRJPCOTPNTFPG-UWVGGRQHSA-N 1 2 212.293 0.328 20 0 BCADLO OCc1cc[nH+]c(NC[C@@H]2COCCO2)c1 ZINC000881830778 591273847 /nfs/dbraw/zinc/27/38/47/591273847.db2.gz JRENQUFAEXWAGE-SNVBAGLBSA-N 1 2 224.260 0.401 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037499 591290863 /nfs/dbraw/zinc/29/08/63/591290863.db2.gz FQOKBVTYMIDUBG-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCC1 ZINC000882037499 591290866 /nfs/dbraw/zinc/29/08/66/591290866.db2.gz FQOKBVTYMIDUBG-VHSXEESVSA-N 1 2 246.376 0.893 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1nc[nH+]c(C)c1C ZINC000882049603 591291791 /nfs/dbraw/zinc/29/17/91/591291791.db2.gz CHKQGRZMWSBHIT-QMMMGPOBSA-N 1 2 236.319 0.912 20 0 BCADLO Cn1c[nH+]c(CSCCS(C)(=O)=O)c1 ZINC000882117525 591300150 /nfs/dbraw/zinc/30/01/50/591300150.db2.gz IYVULZXXLFHCAO-UHFFFAOYSA-N 1 2 234.346 0.698 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H](C)S(C)(=O)=O)c1C ZINC000882131937 591303552 /nfs/dbraw/zinc/30/35/52/591303552.db2.gz UVJPEJHMUMBVPX-SSDOTTSWSA-N 1 2 243.332 0.938 20 0 BCADLO Cc1[nH+]cnc(N[C@@H]2CNC(=O)C2)c1C ZINC000882166314 591309851 /nfs/dbraw/zinc/30/98/51/591309851.db2.gz NLHIPHXSJBJWCG-QMMMGPOBSA-N 1 2 206.249 0.394 20 0 BCADLO Cc1[nH+]cnc(NCc2cn(C)nn2)c1C ZINC000882175041 591311267 /nfs/dbraw/zinc/31/12/67/591311267.db2.gz LOUVVEQQIQNHNF-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO OCC[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000882210981 591316828 /nfs/dbraw/zinc/31/68/28/591316828.db2.gz OSJPLSJSDYBGFU-NSHDSACASA-N 1 2 222.288 0.925 20 0 BCADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483926 591359306 /nfs/dbraw/zinc/35/93/06/591359306.db2.gz NXQBYWRXBWMMLO-SECBINFHSA-N 1 2 248.330 0.722 20 0 BCADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483926 591359309 /nfs/dbraw/zinc/35/93/09/591359309.db2.gz NXQBYWRXBWMMLO-SECBINFHSA-N 1 2 248.330 0.722 20 0 BCADLO CCON(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000882504833 591379502 /nfs/dbraw/zinc/37/95/02/591379502.db2.gz HALZXVNVFBGZJC-UHFFFAOYSA-N 1 2 247.320 0.486 20 0 BCADLO CN(C)C(=O)OCCNc1cc(CO)cc[nH+]1 ZINC000882616761 591400108 /nfs/dbraw/zinc/40/01/08/591400108.db2.gz KMUYYLWAPNOKQV-UHFFFAOYSA-N 1 2 239.275 0.684 20 0 BCADLO Cc1[nH+]cnc(N2CCC(O)(CO)CC2)c1C ZINC000882617767 591400267 /nfs/dbraw/zinc/40/02/67/591400267.db2.gz PWYNETWXZOCIFJ-UHFFFAOYSA-N 1 2 237.303 0.417 20 0 BCADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000882764029 591428691 /nfs/dbraw/zinc/42/86/91/591428691.db2.gz HTIKQHBNEKCXFS-VIFPVBQESA-N 1 2 244.316 0.652 20 0 BCADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000882764029 591428700 /nfs/dbraw/zinc/42/87/00/591428700.db2.gz HTIKQHBNEKCXFS-VIFPVBQESA-N 1 2 244.316 0.652 20 0 BCADLO CCNC(=O)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000213254279 591457825 /nfs/dbraw/zinc/45/78/25/591457825.db2.gz CQFASNBIPGNLAW-VIFPVBQESA-N 1 2 237.303 0.707 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]CC(=O)NC2CC2)n1 ZINC000882885606 591463598 /nfs/dbraw/zinc/46/35/98/591463598.db2.gz FNACCXHGWDHSQA-UHFFFAOYSA-N 1 2 236.319 0.901 20 0 BCADLO C[C@H](O)c1ccc(N2C[C@H]3C[C@@]3(O)C2)[nH+]c1 ZINC000882933760 591477095 /nfs/dbraw/zinc/47/70/95/591477095.db2.gz OGHRMLCZXYAZHE-MKPLZMMCSA-N 1 2 220.272 0.706 20 0 BCADLO OC[C@@H]1C=CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000882977150 591489446 /nfs/dbraw/zinc/48/94/46/591489446.db2.gz YMJMPVJPZCVCRN-JTQLQIEISA-N 1 2 243.270 0.399 20 0 BCADLO CO[C@@H](CO[NH+]=C(N)CO)C1CCC1 ZINC000883013621 591514269 /nfs/dbraw/zinc/51/42/69/591514269.db2.gz UQJZARIGOGVTAQ-QMMMGPOBSA-N 1 2 202.254 0.292 20 0 BCADLO C[C@H](O[NH+]=C(N)CCO)c1ncccn1 ZINC000882987345 591494649 /nfs/dbraw/zinc/49/46/49/591494649.db2.gz AIEAICSYAPNQBI-ZETCQYMHSA-N 1 2 210.237 0.418 20 0 BCADLO COc1cc(C)nc(CO[NH+]=C(N)CO)c1 ZINC000883011610 591510552 /nfs/dbraw/zinc/51/05/52/591510552.db2.gz BPNPQTIKXVQIHN-UHFFFAOYSA-N 1 2 225.248 0.389 20 0 BCADLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883011598 591511119 /nfs/dbraw/zinc/51/11/19/591511119.db2.gz BDWGSMBHQOPKQS-VIFPVBQESA-N 1 2 245.323 0.562 20 0 BCADLO CC(C)n1ccc(CO[NH+]=C(N)CO)n1 ZINC000883011129 591511505 /nfs/dbraw/zinc/51/15/05/591511505.db2.gz KWHUKQJZIOIBFI-UHFFFAOYSA-N 1 2 212.253 0.455 20 0 BCADLO CCC(C)(C)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011513 591511719 /nfs/dbraw/zinc/51/17/19/591511719.db2.gz YBOHFWIMABERTG-ZETCQYMHSA-N 1 2 231.296 0.170 20 0 BCADLO Cc1cc(C)c(CON=C(N)CO)c(C)[nH+]1 ZINC000883012982 591515038 /nfs/dbraw/zinc/51/50/38/591515038.db2.gz AQOKMZMDFWAMQD-UHFFFAOYSA-N 1 2 223.276 0.998 20 0 BCADLO Cc1nc(N2CCC[C@H]3CCNC(=O)[C@@H]32)cc[nH+]1 ZINC000883022040 591518149 /nfs/dbraw/zinc/51/81/49/591518149.db2.gz MBFHGNVDRZLOAI-CMPLNLGQSA-N 1 2 246.314 0.890 20 0 BCADLO CC[C@@H](O[NH+]=C(N)c1ccccc1)C(N)=O ZINC000883048195 591527597 /nfs/dbraw/zinc/52/75/97/591527597.db2.gz JTCNZNNDQQQQTQ-SECBINFHSA-N 1 2 221.260 0.797 20 0 BCADLO Cc1ccccc1C(N)=[NH+]O[C@@H]1CCNC1=O ZINC000883059040 591531393 /nfs/dbraw/zinc/53/13/93/591531393.db2.gz KLCSNADALOCCEV-SNVBAGLBSA-N 1 2 233.271 0.730 20 0 BCADLO CC(C)c1c[nH]c(CNCc2cn(C)nn2)[nH+]1 ZINC000883086563 591537199 /nfs/dbraw/zinc/53/71/99/591537199.db2.gz ZBFXPFYGZPBWIW-UHFFFAOYSA-N 1 2 234.307 0.951 20 0 BCADLO CCC[N@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000132416466 591706751 /nfs/dbraw/zinc/70/67/51/591706751.db2.gz DAVPJSBNFYQECP-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CCC[N@@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000132416466 591706753 /nfs/dbraw/zinc/70/67/53/591706753.db2.gz DAVPJSBNFYQECP-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO CO[C@H]1CC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000889330413 591764736 /nfs/dbraw/zinc/76/47/36/591764736.db2.gz ADICNBALUPWNKE-BDAKNGLRSA-N 1 2 223.276 0.588 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000889331731 591769058 /nfs/dbraw/zinc/76/90/58/591769058.db2.gz QEECFOUVDJGPDA-VHSXEESVSA-N 1 2 223.276 0.519 20 0 BCADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000889333445 591772671 /nfs/dbraw/zinc/77/26/71/591772671.db2.gz BQUJJBKBGRXMRA-WDEREUQCSA-N 1 2 237.303 0.896 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N[C@]12C[C@H]1COC2 ZINC000889055042 591777004 /nfs/dbraw/zinc/77/70/04/591777004.db2.gz PQDKDAJWVDQOIH-KWQFWETISA-N 1 2 236.275 0.008 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000883962261 591783251 /nfs/dbraw/zinc/78/32/51/591783251.db2.gz GZIFXALJCCHEOA-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO COc1nn(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000883962261 591783253 /nfs/dbraw/zinc/78/32/53/591783253.db2.gz GZIFXALJCCHEOA-UHFFFAOYSA-N 1 2 235.247 0.082 20 0 BCADLO CCn1cc(C[N@H+](CC)CCOC)nn1 ZINC000883998575 591790133 /nfs/dbraw/zinc/79/01/33/591790133.db2.gz BFLDTHBTOSVDQD-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1cc(C[N@@H+](CC)CCOC)nn1 ZINC000883998575 591790137 /nfs/dbraw/zinc/79/01/37/591790137.db2.gz BFLDTHBTOSVDQD-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCn1cc(C[N@H+](C)C[C@@H]2CCCO2)nn1 ZINC000883998486 591790148 /nfs/dbraw/zinc/79/01/48/591790148.db2.gz VIBGYYCJJJKXRC-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@@H+](C)C[C@@H]2CCCO2)nn1 ZINC000883998486 591790151 /nfs/dbraw/zinc/79/01/51/591790151.db2.gz VIBGYYCJJJKXRC-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[NH+]2CCC([C@H](C)O)CC2)nn1 ZINC000884002529 591792059 /nfs/dbraw/zinc/79/20/59/591792059.db2.gz LLOXLNSKTFDVMF-JTQLQIEISA-N 1 2 238.335 0.891 20 0 BCADLO Nc1ccc(NC(=O)C[C@@H]2CCNC2=O)c[nH+]1 ZINC000884025110 591805752 /nfs/dbraw/zinc/80/57/52/591805752.db2.gz NLNXYBUQGBPBMV-ZETCQYMHSA-N 1 2 234.259 0.129 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800143835 591827857 /nfs/dbraw/zinc/82/78/57/591827857.db2.gz HTVHNSBNPCITQM-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800143835 591827856 /nfs/dbraw/zinc/82/78/56/591827856.db2.gz HTVHNSBNPCITQM-ZJUUUORDSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800143833 591827941 /nfs/dbraw/zinc/82/79/41/591827941.db2.gz HTVHNSBNPCITQM-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CO[C@@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800143833 591827942 /nfs/dbraw/zinc/82/79/42/591827942.db2.gz HTVHNSBNPCITQM-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)C(C)(C)O)CCO1 ZINC000800157227 591829519 /nfs/dbraw/zinc/82/95/19/591829519.db2.gz DCCSRMHUFULFKW-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)C(C)(C)O)CCO1 ZINC000800157227 591829522 /nfs/dbraw/zinc/82/95/22/591829522.db2.gz DCCSRMHUFULFKW-SECBINFHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000133599872 591832342 /nfs/dbraw/zinc/83/23/42/591832342.db2.gz CISCUIIPCIKVDS-SNVBAGLBSA-N 1 2 247.302 0.580 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000133599872 591832347 /nfs/dbraw/zinc/83/23/47/591832347.db2.gz CISCUIIPCIKVDS-SNVBAGLBSA-N 1 2 247.302 0.580 20 0 BCADLO COC/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800219935 591842547 /nfs/dbraw/zinc/84/25/47/591842547.db2.gz TXYWPWOMZIJJAE-PGLGOXFNSA-N 1 2 243.303 0.453 20 0 BCADLO COC/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800219935 591842549 /nfs/dbraw/zinc/84/25/49/591842549.db2.gz TXYWPWOMZIJJAE-PGLGOXFNSA-N 1 2 243.303 0.453 20 0 BCADLO CCc1nc(N2Cc3nn(C)c(N)c3C2)cc[nH+]1 ZINC000884526785 591966707 /nfs/dbraw/zinc/96/67/07/591966707.db2.gz CWPALLDIKOFCRB-UHFFFAOYSA-N 1 2 244.302 0.875 20 0 BCADLO CCC[C@@H](O)[C@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884529636 591967540 /nfs/dbraw/zinc/96/75/40/591967540.db2.gz SJLMQLGRKZGWGV-VHSXEESVSA-N 1 2 239.319 0.973 20 0 BCADLO CCc1nc(N2CN(C)C(=O)[C@H]2C)cc[nH+]1 ZINC000884544211 591973030 /nfs/dbraw/zinc/97/30/30/591973030.db2.gz ZPWHDGCWVPFKGA-MRVPVSSYSA-N 1 2 220.276 0.663 20 0 BCADLO CCc1nc(N2C[C@H](O)C[C@H]2COC)cc[nH+]1 ZINC000884544857 591973987 /nfs/dbraw/zinc/97/39/87/591973987.db2.gz RNGLYJVNMKTHQR-VHSXEESVSA-N 1 2 237.303 0.625 20 0 BCADLO CCc1nc(NC[C@](C)(CO)OC)cc[nH+]1 ZINC000884547091 591975524 /nfs/dbraw/zinc/97/55/24/591975524.db2.gz BKTUZTOVRSYJIR-LLVKDONJSA-N 1 2 225.292 0.848 20 0 BCADLO CCc1nc(NC[C@@H](O)[C@@H]2CCCO2)cc[nH+]1 ZINC000884563336 591980968 /nfs/dbraw/zinc/98/09/68/591980968.db2.gz CETHLDXXKYEYME-ZJUUUORDSA-N 1 2 237.303 0.991 20 0 BCADLO CCc1nc(N[C@H]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884623560 591996410 /nfs/dbraw/zinc/99/64/10/591996410.db2.gz HFAYQXUDUBJJTI-AYMMMOKOSA-N 1 2 223.276 0.335 20 0 BCADLO C[C@H](O)c1ccc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]c1 ZINC000884624142 591996742 /nfs/dbraw/zinc/99/67/42/591996742.db2.gz ZKOBMUSVYIHPKD-BBHBSTQDSA-N 1 2 238.287 0.431 20 0 BCADLO CCc1nc(N(C)[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000884633064 591998766 /nfs/dbraw/zinc/99/87/66/591998766.db2.gz PUUYPXKDPWFSIG-RKDXNWHRSA-N 1 2 223.276 0.235 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)nc1 ZINC000135483209 592015051 /nfs/dbraw/zinc/01/50/51/592015051.db2.gz DLXJIEQIWFGHGB-UHFFFAOYSA-N 1 2 234.234 0.916 20 0 BCADLO Nc1cc(COC(=O)C[C@@H]2CCNC2=O)cc[nH+]1 ZINC000884917539 592028679 /nfs/dbraw/zinc/02/86/79/592028679.db2.gz HQNBVODSCQADHF-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccns2)C1 ZINC000884972655 592031060 /nfs/dbraw/zinc/03/10/60/592031060.db2.gz SCOFBGARMOSODD-SSDOTTSWSA-N 1 2 247.345 0.126 20 0 BCADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccns2)C1 ZINC000884972655 592031063 /nfs/dbraw/zinc/03/10/63/592031063.db2.gz SCOFBGARMOSODD-SSDOTTSWSA-N 1 2 247.345 0.126 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000885052681 592040612 /nfs/dbraw/zinc/04/06/12/592040612.db2.gz YPXKTFLUAXMSML-VIFPVBQESA-N 1 2 235.287 0.543 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nccn1C ZINC000135729650 592041962 /nfs/dbraw/zinc/04/19/62/592041962.db2.gz WBKWTPIFLOZXGS-JTQLQIEISA-N 1 2 238.335 0.939 20 0 BCADLO COCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC000885230852 592059805 /nfs/dbraw/zinc/05/98/05/592059805.db2.gz IDTQBHNQAUCRAY-UHFFFAOYSA-N 1 2 227.264 0.335 20 0 BCADLO CCO[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000885344242 592070622 /nfs/dbraw/zinc/07/06/22/592070622.db2.gz FSEIDLFNESCDMN-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](CF)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000885408683 592076150 /nfs/dbraw/zinc/07/61/50/592076150.db2.gz GZJHOHLLDKGRDZ-QMMMGPOBSA-N 1 2 235.284 0.161 20 0 BCADLO O=C1C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)CCN1 ZINC000885933257 592110035 /nfs/dbraw/zinc/11/00/35/592110035.db2.gz OXJVRIKPZUAJHB-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)CCN1 ZINC000885933257 592110037 /nfs/dbraw/zinc/11/00/37/592110037.db2.gz OXJVRIKPZUAJHB-GHMZBOCLSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CCN1 ZINC000885933259 592110449 /nfs/dbraw/zinc/11/04/49/592110449.db2.gz OXJVRIKPZUAJHB-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO O=C1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CCN1 ZINC000885933259 592110451 /nfs/dbraw/zinc/11/04/51/592110451.db2.gz OXJVRIKPZUAJHB-QWRGUYRKSA-N 1 2 224.304 0.376 20 0 BCADLO CN1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)CC1=O ZINC000886018685 592132286 /nfs/dbraw/zinc/13/22/86/592132286.db2.gz GKCXARZSFADJCP-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)CC1=O ZINC000886018685 592132288 /nfs/dbraw/zinc/13/22/88/592132288.db2.gz GKCXARZSFADJCP-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2c[nH]nc2C1)C(F)F ZINC000886081101 592144376 /nfs/dbraw/zinc/14/43/76/592144376.db2.gz ITLGHUYYVQJUBS-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2c[nH]nc2C1)C(F)F ZINC000886081101 592144377 /nfs/dbraw/zinc/14/43/77/592144377.db2.gz ITLGHUYYVQJUBS-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2cn[nH]c2C1)C(F)F ZINC000886081101 592144378 /nfs/dbraw/zinc/14/43/78/592144378.db2.gz ITLGHUYYVQJUBS-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2cn[nH]c2C1)C(F)F ZINC000886081101 592144379 /nfs/dbraw/zinc/14/43/79/592144379.db2.gz ITLGHUYYVQJUBS-JTQLQIEISA-N 1 2 231.246 0.784 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C[C@](C)(O)C(F)F ZINC000886091450 592146523 /nfs/dbraw/zinc/14/65/23/592146523.db2.gz AEYSFTBOIDNHJR-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@](C)(O)C(F)F ZINC000886091450 592146525 /nfs/dbraw/zinc/14/65/25/592146525.db2.gz AEYSFTBOIDNHJR-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@](C)(O)C(F)F ZINC000886091450 592146527 /nfs/dbraw/zinc/14/65/27/592146527.db2.gz AEYSFTBOIDNHJR-VIFPVBQESA-N 1 2 219.235 0.858 20 0 BCADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)O)c1C ZINC000136745768 592150322 /nfs/dbraw/zinc/15/03/22/592150322.db2.gz FBHNEBOMXMQNMH-SECBINFHSA-N 1 2 238.287 0.704 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000886221044 592179875 /nfs/dbraw/zinc/17/98/75/592179875.db2.gz RUIYCXFVROZDFG-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)C(C)(C)C(N)=O ZINC000886221044 592179876 /nfs/dbraw/zinc/17/98/76/592179876.db2.gz RUIYCXFVROZDFG-UHFFFAOYSA-N 1 2 210.281 0.414 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cncc(O)c1 ZINC000886276857 592196349 /nfs/dbraw/zinc/19/63/49/592196349.db2.gz XLCQNDKDSMLNGI-UHFFFAOYSA-N 1 2 246.270 0.678 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCc1cncc(O)c1 ZINC000886279865 592198204 /nfs/dbraw/zinc/19/82/04/592198204.db2.gz MVVQCFIIJJPHMC-UHFFFAOYSA-N 1 2 246.270 0.690 20 0 BCADLO C[C@](O)(C[N@@H+]1CCc2nccnc2C1)C(F)F ZINC000886285181 592200509 /nfs/dbraw/zinc/20/05/09/592200509.db2.gz AIWDIFFKWHGNGO-NSHDSACASA-N 1 2 243.257 0.851 20 0 BCADLO C[C@](O)(C[N@H+]1CCc2nccnc2C1)C(F)F ZINC000886285181 592200510 /nfs/dbraw/zinc/20/05/10/592200510.db2.gz AIWDIFFKWHGNGO-NSHDSACASA-N 1 2 243.257 0.851 20 0 BCADLO CSCc1n[nH]c(C[NH2+][C@@H]2CCO[C@@H]2C)n1 ZINC000886326602 592208963 /nfs/dbraw/zinc/20/89/63/592208963.db2.gz OICRRRGEUAHYGD-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO CSCc1nnc(C[NH2+][C@@H]2CCO[C@@H]2C)[nH]1 ZINC000886326602 592208964 /nfs/dbraw/zinc/20/89/64/592208964.db2.gz OICRRRGEUAHYGD-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886327789 592209721 /nfs/dbraw/zinc/20/97/21/592209721.db2.gz SBKXNUZYRWWVCN-DTORHVGOSA-N 1 2 221.260 0.873 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886327789 592209723 /nfs/dbraw/zinc/20/97/23/592209723.db2.gz SBKXNUZYRWWVCN-DTORHVGOSA-N 1 2 221.260 0.873 20 0 BCADLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1nncs1 ZINC000886341638 592212468 /nfs/dbraw/zinc/21/24/68/592212468.db2.gz XYEVECMRAVKWEH-KNVOCYPGSA-N 1 2 224.289 0.428 20 0 BCADLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1nncs1 ZINC000886341638 592212469 /nfs/dbraw/zinc/21/24/69/592212469.db2.gz XYEVECMRAVKWEH-KNVOCYPGSA-N 1 2 224.289 0.428 20 0 BCADLO FCCn1ncnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346854 592213550 /nfs/dbraw/zinc/21/35/50/592213550.db2.gz SXIBJDUDFUPABL-DTORHVGOSA-N 1 2 210.256 0.699 20 0 BCADLO FCCn1ncnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346854 592213553 /nfs/dbraw/zinc/21/35/53/592213553.db2.gz SXIBJDUDFUPABL-DTORHVGOSA-N 1 2 210.256 0.699 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCn2nncc2C1 ZINC000886453072 592227307 /nfs/dbraw/zinc/22/73/07/592227307.db2.gz ZJMVRMFIVVSRPL-VIFPVBQESA-N 1 2 249.318 0.151 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCn2nncc2C1 ZINC000886453072 592227309 /nfs/dbraw/zinc/22/73/09/592227309.db2.gz ZJMVRMFIVVSRPL-VIFPVBQESA-N 1 2 249.318 0.151 20 0 BCADLO COC(C[N@@H+]1CCCn2nncc2C1)OC ZINC000886463053 592227749 /nfs/dbraw/zinc/22/77/49/592227749.db2.gz NTSJDSKTMXGNGF-UHFFFAOYSA-N 1 2 226.280 0.103 20 0 BCADLO COC(C[N@H+]1CCCn2nncc2C1)OC ZINC000886463053 592227752 /nfs/dbraw/zinc/22/77/52/592227752.db2.gz NTSJDSKTMXGNGF-UHFFFAOYSA-N 1 2 226.280 0.103 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886464680 592228944 /nfs/dbraw/zinc/22/89/44/592228944.db2.gz COZIFSHHMCTYDO-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO Cc1nccc(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886464680 592228948 /nfs/dbraw/zinc/22/89/48/592228948.db2.gz COZIFSHHMCTYDO-UHFFFAOYSA-N 1 2 244.302 0.782 20 0 BCADLO FC(F)OCC[N@@H+]1CCCn2nncc2C1 ZINC000886466599 592229226 /nfs/dbraw/zinc/22/92/26/592229226.db2.gz CGJHSQFSSPDFCP-UHFFFAOYSA-N 1 2 232.234 0.723 20 0 BCADLO FC(F)OCC[N@H+]1CCCn2nncc2C1 ZINC000886466599 592229227 /nfs/dbraw/zinc/22/92/27/592229227.db2.gz CGJHSQFSSPDFCP-UHFFFAOYSA-N 1 2 232.234 0.723 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886508960 592239273 /nfs/dbraw/zinc/23/92/73/592239273.db2.gz VGTLKLMSSIZRBP-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886508960 592239278 /nfs/dbraw/zinc/23/92/78/592239278.db2.gz VGTLKLMSSIZRBP-GMTAPVOTSA-N 1 2 245.319 0.410 20 0 BCADLO C[N@H+](Cc1cc2n(n1)CCC2)[C@@H]1COC[C@H]1O ZINC000886517673 592242412 /nfs/dbraw/zinc/24/24/12/592242412.db2.gz MWCSOVJZRHVIQF-VXGBXAGGSA-N 1 2 237.303 0.021 20 0 BCADLO C[N@@H+](Cc1cc2n(n1)CCC2)[C@@H]1COC[C@H]1O ZINC000886517673 592242415 /nfs/dbraw/zinc/24/24/15/592242415.db2.gz MWCSOVJZRHVIQF-VXGBXAGGSA-N 1 2 237.303 0.021 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ncco1 ZINC000886530632 592247525 /nfs/dbraw/zinc/24/75/25/592247525.db2.gz NZFPRARPILYVIJ-MRVPVSSYSA-N 1 2 223.276 0.851 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886570677 592262504 /nfs/dbraw/zinc/26/25/04/592262504.db2.gz SQZPXMGHMDDFKD-OCAPTIKFSA-N 1 2 225.321 0.005 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886570677 592262507 /nfs/dbraw/zinc/26/25/07/592262507.db2.gz SQZPXMGHMDDFKD-OCAPTIKFSA-N 1 2 225.321 0.005 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@H+](CCc3cnn[nH]3)C[C@H]12 ZINC000886573144 592264405 /nfs/dbraw/zinc/26/44/05/592264405.db2.gz VWXZHFMHLIXEJR-DVVUODLYSA-N 1 2 222.292 0.050 20 0 BCADLO O[C@@H]1CC[C@@H]2C[N@@H+](CCc3cnn[nH]3)C[C@H]12 ZINC000886573144 592264409 /nfs/dbraw/zinc/26/44/09/592264409.db2.gz VWXZHFMHLIXEJR-DVVUODLYSA-N 1 2 222.292 0.050 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1CCOC1)C2 ZINC000886604117 592272776 /nfs/dbraw/zinc/27/27/76/592272776.db2.gz FKXGYZRYBXFEAU-SNVBAGLBSA-N 1 2 249.314 0.824 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1C[C@H]1OC)C2 ZINC000886604038 592272987 /nfs/dbraw/zinc/27/29/87/592272987.db2.gz BGDFFNCFSHOBDK-BXKDBHETSA-N 1 2 249.314 0.823 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)/C=C/COC)C2 ZINC000886605847 592274326 /nfs/dbraw/zinc/27/43/26/592274326.db2.gz ABMRKCUPOFCWAQ-SNAWJCMRSA-N 1 2 249.314 0.990 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)/C=C\COC)C2 ZINC000886605846 592274527 /nfs/dbraw/zinc/27/45/27/592274527.db2.gz ABMRKCUPOFCWAQ-PLNGDYQASA-N 1 2 249.314 0.990 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1CCCO1)C2 ZINC000886617829 592277093 /nfs/dbraw/zinc/27/70/93/592277093.db2.gz AGSZNABXVKMSSH-GFCCVEGCSA-N 1 2 249.314 0.967 20 0 BCADLO CCn1c[nH+]c2c1CCN(C(=O)c1cn[nH]c1)C2 ZINC000886624437 592279042 /nfs/dbraw/zinc/27/90/42/592279042.db2.gz KEKJHKPHRKGCJR-UHFFFAOYSA-N 1 2 245.286 0.825 20 0 BCADLO C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)C(N)=O ZINC000073118132 592294345 /nfs/dbraw/zinc/29/43/45/592294345.db2.gz GTHMEOLFCGAMTI-GXSJLCMTSA-N 1 2 249.314 0.279 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678504 592299523 /nfs/dbraw/zinc/29/95/23/592299523.db2.gz FMLPRBRXXSODLE-GHMZBOCLSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678504 592299525 /nfs/dbraw/zinc/29/95/25/592299525.db2.gz FMLPRBRXXSODLE-GHMZBOCLSA-N 1 2 247.298 0.972 20 0 BCADLO COC(=O)N[C@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000886852737 592366885 /nfs/dbraw/zinc/36/68/85/592366885.db2.gz VCRNZNMLTCOMCP-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000886852737 592366890 /nfs/dbraw/zinc/36/68/90/592366890.db2.gz VCRNZNMLTCOMCP-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000886852737 592366896 /nfs/dbraw/zinc/36/68/96/592366896.db2.gz VCRNZNMLTCOMCP-VIFPVBQESA-N 1 2 238.291 0.350 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccno2)C1 ZINC000886858106 592369821 /nfs/dbraw/zinc/36/98/21/592369821.db2.gz MLXAJPXKHROJSW-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000886858106 592369822 /nfs/dbraw/zinc/36/98/22/592369822.db2.gz MLXAJPXKHROJSW-QMMMGPOBSA-N 1 2 225.248 0.605 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)OC)[C@H]1CCCOC1 ZINC000886906551 592393967 /nfs/dbraw/zinc/39/39/67/592393967.db2.gz YQWCZQBROLZDNQ-VHSXEESVSA-N 1 2 231.292 0.191 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC)[C@@H]1CCCOC1 ZINC000886906314 592394143 /nfs/dbraw/zinc/39/41/43/592394143.db2.gz VGXJRKCUOXEDFL-AXFHLTTASA-N 1 2 245.319 0.579 20 0 BCADLO CC[C@@H](O)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886950959 592400691 /nfs/dbraw/zinc/40/06/91/592400691.db2.gz UNLZLBXZGVEOKB-OUAUKWLOSA-N 1 2 245.319 0.458 20 0 BCADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCO ZINC000886959192 592402278 /nfs/dbraw/zinc/40/22/78/592402278.db2.gz LRYZFDWICQZPCA-WDEREUQCSA-N 1 2 245.319 0.459 20 0 BCADLO OC1(C2(C[NH2+]Cc3c[nH]nn3)CCC2)CCC1 ZINC000886981198 592405694 /nfs/dbraw/zinc/40/56/94/592405694.db2.gz ZFOPPJNODCAPOO-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO OC1(C2(C[NH2+]Cc3cn[nH]n3)CCC2)CCC1 ZINC000886981198 592405695 /nfs/dbraw/zinc/40/56/95/592405695.db2.gz ZFOPPJNODCAPOO-UHFFFAOYSA-N 1 2 236.319 0.980 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)OC ZINC000887075926 592435977 /nfs/dbraw/zinc/43/59/77/592435977.db2.gz RTOMQWAYWVNGOQ-BDAKNGLRSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)OC ZINC000887075926 592435981 /nfs/dbraw/zinc/43/59/81/592435981.db2.gz RTOMQWAYWVNGOQ-BDAKNGLRSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCF ZINC000887073832 592436485 /nfs/dbraw/zinc/43/64/85/592436485.db2.gz IQPDDIVBNPPRIJ-MRVPVSSYSA-N 1 2 221.297 0.936 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1CCCF ZINC000887073832 592436490 /nfs/dbraw/zinc/43/64/90/592436490.db2.gz IQPDDIVBNPPRIJ-MRVPVSSYSA-N 1 2 221.297 0.936 20 0 BCADLO COCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887071875 592434215 /nfs/dbraw/zinc/43/42/15/592434215.db2.gz DSGZMUKVJJGAHB-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887071875 592434217 /nfs/dbraw/zinc/43/42/17/592434217.db2.gz DSGZMUKVJJGAHB-SECBINFHSA-N 1 2 233.333 0.613 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)CCCF ZINC000887142411 592454441 /nfs/dbraw/zinc/45/44/41/592454441.db2.gz JJMVMUHUXGOJAI-SECBINFHSA-N 1 2 249.282 0.773 20 0 BCADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)CCCF ZINC000887142411 592454443 /nfs/dbraw/zinc/45/44/43/592454443.db2.gz JJMVMUHUXGOJAI-SECBINFHSA-N 1 2 249.282 0.773 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+](C)CCCF ZINC000887141311 592458006 /nfs/dbraw/zinc/45/80/06/592458006.db2.gz NUUNLCDPNPIODN-SSDOTTSWSA-N 1 2 201.249 0.563 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+](C)CCCF ZINC000887141311 592458011 /nfs/dbraw/zinc/45/80/11/592458011.db2.gz NUUNLCDPNPIODN-SSDOTTSWSA-N 1 2 201.249 0.563 20 0 BCADLO CC(C)C[C@H]1C(=O)N[C@H](c2c[nH+]cn2C)N1C ZINC000887332502 592481573 /nfs/dbraw/zinc/48/15/73/592481573.db2.gz GHDJGCFQYOBFAA-ONGXEEELSA-N 1 2 236.319 0.895 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2cn(C)c[nH+]2)[C@H](C)O1 ZINC000890102880 592679970 /nfs/dbraw/zinc/67/99/70/592679970.db2.gz BZYKQCAMOWQRGZ-YWVKMMECSA-N 1 2 237.303 0.850 20 0 BCADLO CCC/C=C/[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103236 592680234 /nfs/dbraw/zinc/68/02/34/592680234.db2.gz HJSRBBKRDRWZMH-QRGHLMKCSA-N 1 2 237.303 0.754 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C2CSC2)c1 ZINC000890103728 592680379 /nfs/dbraw/zinc/68/03/79/592680379.db2.gz CFUAMZXZQPQMRA-UHFFFAOYSA-N 1 2 211.290 0.399 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CSC(F)F)c1 ZINC000890103808 592680418 /nfs/dbraw/zinc/68/04/18/592680418.db2.gz DGDFSOXKKQMGJW-UHFFFAOYSA-N 1 2 235.259 0.992 20 0 BCADLO CC[C@@H](CO)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104393 592680601 /nfs/dbraw/zinc/68/06/01/592680601.db2.gz KPLSYCSOHRNJSH-QMMMGPOBSA-N 1 2 211.265 0.055 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@H]2CCCO2)c1 ZINC000890105000 592681009 /nfs/dbraw/zinc/68/10/09/592681009.db2.gz UZXJLVIXWKCNGQ-SNVBAGLBSA-N 1 2 223.276 0.605 20 0 BCADLO COCC1(CC(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104674 592681900 /nfs/dbraw/zinc/68/19/00/592681900.db2.gz OUPJNHMVJSHYRU-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000890106757 592682047 /nfs/dbraw/zinc/68/20/47/592682047.db2.gz DATGZMZHDHYDBW-IUCAKERBSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCC(C)(C)O)c1 ZINC000890107592 592682524 /nfs/dbraw/zinc/68/25/24/592682524.db2.gz MHQAKNJGEYYCAL-UHFFFAOYSA-N 1 2 225.292 0.587 20 0 BCADLO CO[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(C)C ZINC000890107649 592682624 /nfs/dbraw/zinc/68/26/24/592682624.db2.gz OKSVPLAZGLPETC-SNVBAGLBSA-N 1 2 225.292 0.707 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C(F)(F)C(F)F)c1 ZINC000890109499 592682714 /nfs/dbraw/zinc/68/27/14/592682714.db2.gz CRIQGWFZHVJGEY-UHFFFAOYSA-N 1 2 239.172 0.937 20 0 BCADLO Cn1c[nH+]c(CNC(=O)C[C@H]2CCCCO2)c1 ZINC000890109436 592682730 /nfs/dbraw/zinc/68/27/30/592682730.db2.gz BLOURTIZMIPKSG-LLVKDONJSA-N 1 2 237.303 0.996 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109312 592682738 /nfs/dbraw/zinc/68/27/38/592682738.db2.gz KCVCFTFCILZWGU-SCZZXKLOSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCO2)c1 ZINC000890109482 592683156 /nfs/dbraw/zinc/68/31/56/592683156.db2.gz OSGWPQHRDNKPAM-SECBINFHSA-N 1 2 209.249 0.215 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108311 592683164 /nfs/dbraw/zinc/68/31/64/592683164.db2.gz XHYMGFIFGCBALG-JTQLQIEISA-N 1 2 225.292 0.851 20 0 BCADLO CCCn1cc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890109333 592683180 /nfs/dbraw/zinc/68/31/80/592683180.db2.gz KSJQPVUNLOYEMC-UHFFFAOYSA-N 1 2 247.302 0.957 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cn(C)c[nH+]2)O1 ZINC000890108142 592683269 /nfs/dbraw/zinc/68/32/69/592683269.db2.gz VIQCRLGXFJTACP-FXPVBKGRSA-N 1 2 237.303 0.850 20 0 BCADLO COC1(CC(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890107887 592683288 /nfs/dbraw/zinc/68/32/88/592683288.db2.gz PVMWGNNHHICELX-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@](C)(O)C2CC2)c1 ZINC000890107461 592683562 /nfs/dbraw/zinc/68/35/62/592683562.db2.gz NSQZOJGPWHURIM-NSHDSACASA-N 1 2 223.276 0.197 20 0 BCADLO CCCCOCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114013 592683849 /nfs/dbraw/zinc/68/38/49/592683849.db2.gz UFTYDZNMXBMJDE-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCc1ocnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890114184 592683954 /nfs/dbraw/zinc/68/39/54/592683954.db2.gz XGDUOBNYSWQZJS-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109778 592684621 /nfs/dbraw/zinc/68/46/21/592684621.db2.gz SGWDOCWLHQGZFT-SECBINFHSA-N 1 2 225.292 0.851 20 0 BCADLO C[C@@H](OCC1CC1)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114484 592685731 /nfs/dbraw/zinc/68/57/31/592685731.db2.gz MJIZUCCQZVGKBO-SECBINFHSA-N 1 2 237.303 0.851 20 0 BCADLO CS[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890117202 592685763 /nfs/dbraw/zinc/68/57/63/592685763.db2.gz MXDSTYKAYYUXMS-ZETCQYMHSA-N 1 2 213.306 0.788 20 0 BCADLO CC[C@@](C)(O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890119235 592685980 /nfs/dbraw/zinc/68/59/80/592685980.db2.gz CYGSKTHUQVBIFK-SNVBAGLBSA-N 1 2 211.265 0.197 20 0 BCADLO C[C@@H](C(=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000381528721 597060456 /nfs/dbraw/zinc/06/04/56/597060456.db2.gz XYFFXEWWLVJRDZ-VIFPVBQESA-N 1 2 223.276 0.993 20 0 BCADLO C[C@H](CC(=O)[O-])[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235288 598215035 /nfs/dbraw/zinc/21/50/35/598215035.db2.gz WIIFGCHXOJLUDM-RKDXNWHRSA-N 1 2 211.265 0.724 20 0 BCADLO O=C([O-])CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000309607002 600317097 /nfs/dbraw/zinc/31/70/97/600317097.db2.gz LMLNDKGHFSMZHQ-UHFFFAOYSA-N 1 2 223.276 0.995 20 0 BCADLO C[C@H]([NH2+]Cc1c[nH]cn1)[C@H]1CN(C)CCO1 ZINC000124857551 634435925 /nfs/dbraw/zinc/43/59/25/634435925.db2.gz XZYFCWRRQSYRKE-GXSJLCMTSA-N 1 2 224.308 0.218 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001009784118 634569284 /nfs/dbraw/zinc/56/92/84/634569284.db2.gz AGFWAJGJLQJONH-LBPRGKRZSA-N 1 2 237.278 0.931 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001009784118 634569292 /nfs/dbraw/zinc/56/92/92/634569292.db2.gz AGFWAJGJLQJONH-LBPRGKRZSA-N 1 2 237.278 0.931 20 0 BCADLO Cc1cc(C)c(CNC(=O)CCC(N)=O)c[nH+]1 ZINC000909386232 634585842 /nfs/dbraw/zinc/58/58/42/634585842.db2.gz FZFVHENSSJHDMQ-UHFFFAOYSA-N 1 2 235.287 0.580 20 0 BCADLO CCC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001009825834 634594178 /nfs/dbraw/zinc/59/41/78/634594178.db2.gz SDUCKCJOOHGHGO-NSHDSACASA-N 1 2 248.330 0.886 20 0 BCADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001009825834 634594180 /nfs/dbraw/zinc/59/41/80/634594180.db2.gz SDUCKCJOOHGHGO-NSHDSACASA-N 1 2 248.330 0.886 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001009827982 634596546 /nfs/dbraw/zinc/59/65/46/634596546.db2.gz YVJJQMICSHRQDM-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001009827982 634596553 /nfs/dbraw/zinc/59/65/53/634596553.db2.gz YVJJQMICSHRQDM-GFCCVEGCSA-N 1 2 248.330 0.886 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H](O)C1CCC1 ZINC000909394080 634606358 /nfs/dbraw/zinc/60/63/58/634606358.db2.gz WZWNHXFIMIFDST-NSHDSACASA-N 1 2 249.314 0.771 20 0 BCADLO O=C([C@@H]1CCOC1)N1CCC[N@@H+](CCF)CC1 ZINC000980800979 635274580 /nfs/dbraw/zinc/27/45/80/635274580.db2.gz DCOBMXYZDRKIQV-LLVKDONJSA-N 1 2 244.310 0.527 20 0 BCADLO O=C([C@@H]1CCOC1)N1CCC[N@H+](CCF)CC1 ZINC000980800979 635274588 /nfs/dbraw/zinc/27/45/88/635274588.db2.gz DCOBMXYZDRKIQV-LLVKDONJSA-N 1 2 244.310 0.527 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](O)CC(C)C ZINC000226304169 635431211 /nfs/dbraw/zinc/43/12/11/635431211.db2.gz OOAZEIAYHOKDRJ-MRVPVSSYSA-N 1 2 240.307 0.886 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](O)CC(C)C ZINC000226304169 635431219 /nfs/dbraw/zinc/43/12/19/635431219.db2.gz OOAZEIAYHOKDRJ-MRVPVSSYSA-N 1 2 240.307 0.886 20 0 BCADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CNOC1 ZINC000925861484 635556731 /nfs/dbraw/zinc/55/67/31/635556731.db2.gz COMLESZQVUBMDE-RKDXNWHRSA-N 1 2 208.265 0.339 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CNOC1)c1nccn1C ZINC000925866017 635568324 /nfs/dbraw/zinc/56/83/24/635568324.db2.gz IRYWPGOCCJRFPQ-RKDXNWHRSA-N 1 2 210.281 0.364 20 0 BCADLO CC[C@H]([NH2+][C@@H]1CNOC1)c1nccn1C ZINC000925866015 635569874 /nfs/dbraw/zinc/56/98/74/635569874.db2.gz IRYWPGOCCJRFPQ-BDAKNGLRSA-N 1 2 210.281 0.364 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@H]2CNOC2)nn1C ZINC000925867017 635573247 /nfs/dbraw/zinc/57/32/47/635573247.db2.gz PANPHWZZVNKXID-IUCAKERBSA-N 1 2 210.281 0.283 20 0 BCADLO CCS(=O)(CC)=NC(=O)Cc1c[nH]c[nH+]1 ZINC000925868171 635577632 /nfs/dbraw/zinc/57/76/32/635577632.db2.gz BBBBYLMFLXRRDN-UHFFFAOYSA-N 1 2 229.305 0.987 20 0 BCADLO CCS(=O)(CC)=NC(=O)Cc1[nH]cc[nH+]1 ZINC000925875310 635597210 /nfs/dbraw/zinc/59/72/10/635597210.db2.gz GBQNDSRGNXLOQF-UHFFFAOYSA-N 1 2 229.305 0.987 20 0 BCADLO O[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891430236 631228009 /nfs/dbraw/zinc/22/80/09/631228009.db2.gz BZXZQRFJMNBATF-VIFPVBQESA-N 1 2 218.260 0.690 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCn1cccn1 ZINC000933330954 631263744 /nfs/dbraw/zinc/26/37/44/631263744.db2.gz KTNGBKVAPLSVAG-NSHDSACASA-N 1 2 225.292 0.230 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCn1cccn1 ZINC000933330954 631263751 /nfs/dbraw/zinc/26/37/51/631263751.db2.gz KTNGBKVAPLSVAG-NSHDSACASA-N 1 2 225.292 0.230 20 0 BCADLO CCC(=O)CC[N@@H+]1CCOC[C@@H]1COC ZINC000933336090 631275645 /nfs/dbraw/zinc/27/56/45/631275645.db2.gz QNMNMTHAGUARBI-JTQLQIEISA-N 1 2 215.293 0.703 20 0 BCADLO CCC(=O)CC[N@H+]1CCOC[C@@H]1COC ZINC000933336090 631275647 /nfs/dbraw/zinc/27/56/47/631275647.db2.gz QNMNMTHAGUARBI-JTQLQIEISA-N 1 2 215.293 0.703 20 0 BCADLO CO[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308391458 631309398 /nfs/dbraw/zinc/30/93/98/631309398.db2.gz MPYGGKJDEDGAES-ZETCQYMHSA-N 1 2 209.249 0.315 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000308505515 631321495 /nfs/dbraw/zinc/32/14/95/631321495.db2.gz ILTKXBYKTPQGAL-VIFPVBQESA-N 1 2 201.266 0.300 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393522 631357245 /nfs/dbraw/zinc/35/72/45/631357245.db2.gz JQVWFNXXAJMLRP-UHFFFAOYSA-N 1 2 237.303 0.744 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393522 631357248 /nfs/dbraw/zinc/35/72/48/631357248.db2.gz JQVWFNXXAJMLRP-UHFFFAOYSA-N 1 2 237.303 0.744 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397073 631358055 /nfs/dbraw/zinc/35/80/55/631358055.db2.gz XKFUXXCLTSMPLC-VIFPVBQESA-N 1 2 249.314 0.886 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397073 631358061 /nfs/dbraw/zinc/35/80/61/631358061.db2.gz XKFUXXCLTSMPLC-VIFPVBQESA-N 1 2 249.314 0.886 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393595 631358491 /nfs/dbraw/zinc/35/84/91/631358491.db2.gz BMRQKJQBXPRYCY-VIFPVBQESA-N 1 2 237.303 0.696 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393595 631358497 /nfs/dbraw/zinc/35/84/97/631358497.db2.gz BMRQKJQBXPRYCY-VIFPVBQESA-N 1 2 237.303 0.696 20 0 BCADLO CC(C)[C@H](CCO)[NH2+][C@H]1CCOC1=O ZINC000308500891 631401512 /nfs/dbraw/zinc/40/15/12/631401512.db2.gz GMAREXVJQLSCIC-IUCAKERBSA-N 1 2 201.266 0.299 20 0 BCADLO COCCNC(=O)c1cccc2[nH+]ccn21 ZINC000082302146 631403309 /nfs/dbraw/zinc/40/33/09/631403309.db2.gz JASLOGNIVQNDFP-UHFFFAOYSA-N 1 2 219.244 0.711 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000926270013 631530339 /nfs/dbraw/zinc/53/03/39/631530339.db2.gz ABCASJMUKNDZKQ-XPUUQOCRSA-N 1 2 226.280 0.505 20 0 BCADLO CNc1cc(NC[C@H](COC)OC)[nH+]cn1 ZINC000234511413 631561013 /nfs/dbraw/zinc/56/10/13/631561013.db2.gz AGENKCMNEFETNU-MRVPVSSYSA-N 1 2 226.280 0.592 20 0 BCADLO CS(=O)(=O)CCNc1nccn2c[nH+]cc12 ZINC000891939991 631565710 /nfs/dbraw/zinc/56/57/10/631565710.db2.gz KWSXWMLPYMRIOE-UHFFFAOYSA-N 1 2 240.288 0.186 20 0 BCADLO C/C=C/C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000234547077 631579349 /nfs/dbraw/zinc/57/93/49/631579349.db2.gz DKKHCIXGDGWKBO-NWALNABHSA-N 1 2 237.259 0.186 20 0 BCADLO CC=CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000234547077 631579353 /nfs/dbraw/zinc/57/93/53/631579353.db2.gz DKKHCIXGDGWKBO-NWALNABHSA-N 1 2 237.259 0.186 20 0 BCADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H]2CO)on1 ZINC000934013288 631592621 /nfs/dbraw/zinc/59/26/21/631592621.db2.gz GAHFFSLXQLEXFL-SSDOTTSWSA-N 1 2 226.232 0.028 20 0 BCADLO COC(=O)c1cc(C[N@H+]2CC[C@@H]2CO)on1 ZINC000934013288 631592626 /nfs/dbraw/zinc/59/26/26/631592626.db2.gz GAHFFSLXQLEXFL-SSDOTTSWSA-N 1 2 226.232 0.028 20 0 BCADLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@@H]2CO)C1 ZINC000934015380 631606530 /nfs/dbraw/zinc/60/65/30/631606530.db2.gz XDWSLUZDXSUDLB-SECBINFHSA-N 1 2 242.319 0.672 20 0 BCADLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@@H]2CO)C1 ZINC000934015380 631606534 /nfs/dbraw/zinc/60/65/34/631606534.db2.gz XDWSLUZDXSUDLB-SECBINFHSA-N 1 2 242.319 0.672 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CC[C@H]2CO)C[C@H](C)O1 ZINC000934019575 631616270 /nfs/dbraw/zinc/61/62/70/631616270.db2.gz QKQKGKUVVZDUIQ-TUAOUCFPSA-N 1 2 228.336 0.162 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CC[C@H]2CO)C[C@H](C)O1 ZINC000934019575 631616279 /nfs/dbraw/zinc/61/62/79/631616279.db2.gz QKQKGKUVVZDUIQ-TUAOUCFPSA-N 1 2 228.336 0.162 20 0 BCADLO OC[C@@H]1CC[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000934020185 631620063 /nfs/dbraw/zinc/62/00/63/631620063.db2.gz XVIIISOWACBYOQ-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO OC[C@@H]1CC[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000934020185 631620065 /nfs/dbraw/zinc/62/00/65/631620065.db2.gz XVIIISOWACBYOQ-LBPRGKRZSA-N 1 2 244.298 0.834 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934023707 631623398 /nfs/dbraw/zinc/62/33/98/631623398.db2.gz UXAFXXBLZHRTFE-WDEREUQCSA-N 1 2 220.272 0.280 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934023707 631623400 /nfs/dbraw/zinc/62/34/00/631623400.db2.gz UXAFXXBLZHRTFE-WDEREUQCSA-N 1 2 220.272 0.280 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]1CO ZINC000934023406 631624532 /nfs/dbraw/zinc/62/45/32/631624532.db2.gz HKZOVHNCJZMTKY-DTWKUNHWSA-N 1 2 215.293 0.783 20 0 BCADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]1CO ZINC000934023406 631624533 /nfs/dbraw/zinc/62/45/33/631624533.db2.gz HKZOVHNCJZMTKY-DTWKUNHWSA-N 1 2 215.293 0.783 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934029634 631628341 /nfs/dbraw/zinc/62/83/41/631628341.db2.gz IRQCBXXKXGXMSX-GRYCIOLGSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934029634 631628345 /nfs/dbraw/zinc/62/83/45/631628345.db2.gz IRQCBXXKXGXMSX-GRYCIOLGSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934029936 631628765 /nfs/dbraw/zinc/62/87/65/631628765.db2.gz IRQCBXXKXGXMSX-UTUOFQBUSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934029936 631628771 /nfs/dbraw/zinc/62/87/71/631628771.db2.gz IRQCBXXKXGXMSX-UTUOFQBUSA-N 1 2 240.347 0.748 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1=COCCC1 ZINC000291299153 631670863 /nfs/dbraw/zinc/67/08/63/631670863.db2.gz SERUVEARKNBJFC-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nccc(N)n1 ZINC000934114840 631692652 /nfs/dbraw/zinc/69/26/52/631692652.db2.gz WNDONBPVQSTJHE-BDAKNGLRSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nccc(N)n1 ZINC000934114840 631692655 /nfs/dbraw/zinc/69/26/55/631692655.db2.gz WNDONBPVQSTJHE-BDAKNGLRSA-N 1 2 222.292 0.668 20 0 BCADLO CCN(C(=O)[C@H]1C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000949611721 631742266 /nfs/dbraw/zinc/74/22/66/631742266.db2.gz CBKFJAOZLYPHJW-ONGXEEELSA-N 1 2 226.320 0.167 20 0 BCADLO O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)c1[nH]ncc1F ZINC001022667840 631747036 /nfs/dbraw/zinc/74/70/36/631747036.db2.gz GOVKEBDEGMITEA-KNVOCYPGSA-N 1 2 244.245 0.369 20 0 BCADLO CNc1cc(N(C)C[C@@H](C)OC)nc[nH+]1 ZINC000308984975 631781275 /nfs/dbraw/zinc/78/12/75/631781275.db2.gz TZKWCQIXKAMHHQ-MRVPVSSYSA-N 1 2 210.281 0.989 20 0 BCADLO CNc1cc(N(C)C[C@@H](C)OC)[nH+]cn1 ZINC000308984975 631781277 /nfs/dbraw/zinc/78/12/77/631781277.db2.gz TZKWCQIXKAMHHQ-MRVPVSSYSA-N 1 2 210.281 0.989 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCCO1 ZINC000051554668 631803157 /nfs/dbraw/zinc/80/31/57/631803157.db2.gz BXGKDURQNDXBAV-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCCO1 ZINC000051554668 631803158 /nfs/dbraw/zinc/80/31/58/631803158.db2.gz BXGKDURQNDXBAV-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCOC ZINC000045038243 631827180 /nfs/dbraw/zinc/82/71/80/631827180.db2.gz JLVYMDWNCPELNK-IUCAKERBSA-N 1 2 203.282 0.953 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cc(=O)cc[nH]2)[nH+]c1C ZINC000934426180 631834736 /nfs/dbraw/zinc/83/47/36/631834736.db2.gz RMIZSCCOXQHMIK-UHFFFAOYSA-N 1 2 246.270 0.645 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CC[C@@H](O)[C@@H](F)C2)C1=O ZINC000934566109 631931756 /nfs/dbraw/zinc/93/17/56/631931756.db2.gz DSWSVPFPKSWICW-LPEHRKFASA-N 1 2 230.283 0.012 20 0 BCADLO CN1CCC[C@H]([N@H+]2CC[C@@H](O)[C@@H](F)C2)C1=O ZINC000934566109 631931759 /nfs/dbraw/zinc/93/17/59/631931759.db2.gz DSWSVPFPKSWICW-LPEHRKFASA-N 1 2 230.283 0.012 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@@H](O)[C@H](F)C1 ZINC000934569439 631933403 /nfs/dbraw/zinc/93/34/03/631933403.db2.gz GSJQYKALZBSCNP-IJLUTSLNSA-N 1 2 246.326 0.112 20 0 BCADLO Nc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)ccn1 ZINC000934574527 631946604 /nfs/dbraw/zinc/94/66/04/631946604.db2.gz UBKMRIOCFQGJGT-ZJUUUORDSA-N 1 2 225.267 0.569 20 0 BCADLO Nc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)ccn1 ZINC000934574527 631946608 /nfs/dbraw/zinc/94/66/08/631946608.db2.gz UBKMRIOCFQGJGT-ZJUUUORDSA-N 1 2 225.267 0.569 20 0 BCADLO O[C@H](C[N@@H+]1CC[C@H](O)[C@@H](F)C1)CC(F)(F)F ZINC000934573173 631947040 /nfs/dbraw/zinc/94/70/40/631947040.db2.gz NIJRDBDFTWQZNE-FXQIFTODSA-N 1 2 245.216 0.704 20 0 BCADLO O[C@H](C[N@H+]1CC[C@H](O)[C@@H](F)C1)CC(F)(F)F ZINC000934573173 631947041 /nfs/dbraw/zinc/94/70/41/631947041.db2.gz NIJRDBDFTWQZNE-FXQIFTODSA-N 1 2 245.216 0.704 20 0 BCADLO Cc1c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cnn1C ZINC000934575514 631947152 /nfs/dbraw/zinc/94/71/52/631947152.db2.gz JKROTJMGGWPOPZ-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO Cc1c(C[N@H+]2CC[C@H](O)[C@H](F)C2)cnn1C ZINC000934575514 631947154 /nfs/dbraw/zinc/94/71/54/631947154.db2.gz JKROTJMGGWPOPZ-MNOVXSKESA-N 1 2 227.283 0.633 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000308886540 632084105 /nfs/dbraw/zinc/08/41/05/632084105.db2.gz GGXCLPQCUQTXCE-MRVPVSSYSA-N 1 2 210.281 0.034 20 0 BCADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N=c1nc[nH]n1C ZINC000934822331 632094349 /nfs/dbraw/zinc/09/43/49/632094349.db2.gz QWFCYRPMIGZUOJ-SECBINFHSA-N 1 2 237.307 0.048 20 0 BCADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)N=c1nc[nH]n1C ZINC000934822331 632094356 /nfs/dbraw/zinc/09/43/56/632094356.db2.gz QWFCYRPMIGZUOJ-SECBINFHSA-N 1 2 237.307 0.048 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000924466457 632114765 /nfs/dbraw/zinc/11/47/65/632114765.db2.gz UHHHDGXOFKKSPF-CMPLNLGQSA-N 1 2 249.314 0.980 20 0 BCADLO CC[NH2+]Cc1noc(C2(COC)CC2)n1 ZINC000309649203 632615009 /nfs/dbraw/zinc/61/50/09/632615009.db2.gz RUYCSNHHNNIACI-UHFFFAOYSA-N 1 2 211.265 0.857 20 0 BCADLO CCCCOC(=O)C[N@H+](C)C[C@@H](C)O ZINC000051821740 632726001 /nfs/dbraw/zinc/72/60/01/632726001.db2.gz LRDVFNXSIFCNRQ-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000051821740 632726007 /nfs/dbraw/zinc/72/60/07/632726007.db2.gz LRDVFNXSIFCNRQ-SECBINFHSA-N 1 2 203.282 0.642 20 0 BCADLO COC[C@@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892488899 632783240 /nfs/dbraw/zinc/78/32/40/632783240.db2.gz ZKBPDTKIJNDHKE-NSHDSACASA-N 1 2 240.307 0.352 20 0 BCADLO COC[C@@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892488899 632783243 /nfs/dbraw/zinc/78/32/43/632783243.db2.gz ZKBPDTKIJNDHKE-NSHDSACASA-N 1 2 240.307 0.352 20 0 BCADLO Cc1nc(NC[C@@H](O)c2ccccc2)nc(N)[nH+]1 ZINC000310648737 632841096 /nfs/dbraw/zinc/84/10/96/632841096.db2.gz XKCUGRHYNLNWPW-SNVBAGLBSA-N 1 2 245.286 0.908 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](O)c2ccccc2)[nH+]1 ZINC000310648737 632841099 /nfs/dbraw/zinc/84/10/99/632841099.db2.gz XKCUGRHYNLNWPW-SNVBAGLBSA-N 1 2 245.286 0.908 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000935596001 632850930 /nfs/dbraw/zinc/85/09/30/632850930.db2.gz ABQUFBFYQVMVKX-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924562013 632861140 /nfs/dbraw/zinc/86/11/40/632861140.db2.gz QSZUEVKOEFVQCE-QMMMGPOBSA-N 1 2 241.291 0.860 20 0 BCADLO CC(C)CC(=O)NNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000048502375 635859692 /nfs/dbraw/zinc/85/96/92/635859692.db2.gz FDUOQNBBYNLVST-SECBINFHSA-N 1 2 238.291 0.638 20 0 BCADLO Cc1nonc1[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000926775498 633037621 /nfs/dbraw/zinc/03/76/21/633037621.db2.gz YYNCCWWJBNIUPU-WPRPVWTQSA-N 1 2 240.307 0.095 20 0 BCADLO CC(C)(C)OC1CC([N@@H+]2CCNC(=O)C2)C1 ZINC000335973810 635897531 /nfs/dbraw/zinc/89/75/31/635897531.db2.gz PGRNACMIKPAZTE-UHFFFAOYSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)(C)OC1CC([N@H+]2CCNC(=O)C2)C1 ZINC000335973810 635897537 /nfs/dbraw/zinc/89/75/37/635897537.db2.gz PGRNACMIKPAZTE-UHFFFAOYSA-N 1 2 226.320 0.764 20 0 BCADLO CCN(C(=O)[C@@H]1CC1(C)C)C1C[NH+](CCO)C1 ZINC000949905579 633229412 /nfs/dbraw/zinc/22/94/12/633229412.db2.gz KOUHJHPUJWRVAC-NSHDSACASA-N 1 2 240.347 0.558 20 0 BCADLO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309720682 633230856 /nfs/dbraw/zinc/23/08/56/633230856.db2.gz BQEUCAJGHVFTIT-VXNVDRBHSA-N 1 2 222.292 0.641 20 0 BCADLO CC1(C(=O)NOCc2ccccc2)C[NH2+]C1 ZINC000306915348 635977688 /nfs/dbraw/zinc/97/76/88/635977688.db2.gz VSHXYJIDIHZRHL-UHFFFAOYSA-N 1 2 220.272 0.844 20 0 BCADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cnsn1 ZINC000306868559 635976952 /nfs/dbraw/zinc/97/69/52/635976952.db2.gz REPKYWBNFYCYQG-HTQZYQBOSA-N 1 2 213.306 0.787 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C)CC1 ZINC000928542650 636077444 /nfs/dbraw/zinc/07/74/44/636077444.db2.gz YRYQJDTXGZOVEN-VIFPVBQESA-N 1 2 237.303 0.898 20 0 BCADLO Cn1c(C=O)ccc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556275 636094224 /nfs/dbraw/zinc/09/42/24/636094224.db2.gz SMZWCBMRGQRGMD-VIFPVBQESA-N 1 2 235.287 0.272 20 0 BCADLO Cn1c(C=O)ccc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556275 636094229 /nfs/dbraw/zinc/09/42/29/636094229.db2.gz SMZWCBMRGQRGMD-VIFPVBQESA-N 1 2 235.287 0.272 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H](CO)C1CC1)C1CC1 ZINC000308964154 633837073 /nfs/dbraw/zinc/83/70/73/633837073.db2.gz UDBGZOYUYTVWTH-NXEZZACHSA-N 1 2 213.277 0.299 20 0 BCADLO CNc1cc(N2C[C@H](CO)OC[C@H]2C)nc[nH+]1 ZINC000122754444 633854212 /nfs/dbraw/zinc/85/42/12/633854212.db2.gz QIGNCVIZFIXSHE-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2C[C@H](CO)OC[C@H]2C)[nH+]cn1 ZINC000122754444 633854216 /nfs/dbraw/zinc/85/42/16/633854216.db2.gz QIGNCVIZFIXSHE-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CCCNc1cc(N[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000323414892 633857804 /nfs/dbraw/zinc/85/78/04/633857804.db2.gz MZFCYFCQSZNDCM-RKDXNWHRSA-N 1 2 238.291 0.470 20 0 BCADLO CCCNc1cc(N[C@@H]2COC[C@H]2O)[nH+]cn1 ZINC000323414892 633857805 /nfs/dbraw/zinc/85/78/05/633857805.db2.gz MZFCYFCQSZNDCM-RKDXNWHRSA-N 1 2 238.291 0.470 20 0 BCADLO CCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000184607986 634013423 /nfs/dbraw/zinc/01/34/23/634013423.db2.gz UNXRRWYAYYLFEY-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NCCO)c[nH+]1 ZINC000895483038 636153211 /nfs/dbraw/zinc/15/32/11/636153211.db2.gz NDDTULUXMMCGRZ-UHFFFAOYSA-N 1 2 211.265 0.035 20 0 BCADLO Cc1cncc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC000930677776 634022917 /nfs/dbraw/zinc/02/29/17/634022917.db2.gz SHPQHOXLUGXZGP-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cncc(C[N@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC000930677776 634022925 /nfs/dbraw/zinc/02/29/25/634022925.db2.gz SHPQHOXLUGXZGP-LBPRGKRZSA-N 1 2 249.314 0.466 20 0 BCADLO CC(C)N1CCC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000186791134 634085934 /nfs/dbraw/zinc/08/59/34/634085934.db2.gz XXMHFCICAVPQIZ-VIFPVBQESA-N 1 2 243.307 0.057 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000924125489 634100902 /nfs/dbraw/zinc/10/09/02/634100902.db2.gz JUVYDJWKZGLWMP-GMTAPVOTSA-N 1 2 243.303 0.285 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC1(O)CCCCC1 ZINC000310272626 634103011 /nfs/dbraw/zinc/10/30/11/634103011.db2.gz IUVGBKPLNKKSQQ-UHFFFAOYSA-N 1 2 238.335 0.942 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC1(O)CCCCC1 ZINC000310272626 634103016 /nfs/dbraw/zinc/10/30/16/634103016.db2.gz IUVGBKPLNKKSQQ-UHFFFAOYSA-N 1 2 238.335 0.942 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930863753 634141566 /nfs/dbraw/zinc/14/15/66/634141566.db2.gz QOGKNYMWJQUZNV-PGGJUINASA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930863753 634141573 /nfs/dbraw/zinc/14/15/73/634141573.db2.gz QOGKNYMWJQUZNV-PGGJUINASA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930863755 634142939 /nfs/dbraw/zinc/14/29/39/634142939.db2.gz QOGKNYMWJQUZNV-VWBAKQOVSA-N 1 2 243.328 0.311 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000930863755 634142950 /nfs/dbraw/zinc/14/29/50/634142950.db2.gz QOGKNYMWJQUZNV-VWBAKQOVSA-N 1 2 243.328 0.311 20 0 BCADLO CCCCOC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190841358 634195551 /nfs/dbraw/zinc/19/55/51/634195551.db2.gz QCAIKIPMIAZCJF-WDEREUQCSA-N 1 2 247.335 0.393 20 0 BCADLO CCCCOC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190841358 634195554 /nfs/dbraw/zinc/19/55/54/634195554.db2.gz QCAIKIPMIAZCJF-WDEREUQCSA-N 1 2 247.335 0.393 20 0 BCADLO CC(C)COC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190861518 634199326 /nfs/dbraw/zinc/19/93/26/634199326.db2.gz GQMQKTAHHJHFHD-WDEREUQCSA-N 1 2 247.335 0.249 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190861518 634199331 /nfs/dbraw/zinc/19/93/31/634199331.db2.gz GQMQKTAHHJHFHD-WDEREUQCSA-N 1 2 247.335 0.249 20 0 BCADLO CCOC(C[N@@H+]1C[C@@H](C)O[C@H](CO)C1)OCC ZINC000191723402 634220339 /nfs/dbraw/zinc/22/03/39/634220339.db2.gz PHPIMICGBBHLAH-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@@H](C)O[C@H](CO)C1)OCC ZINC000191723402 634220344 /nfs/dbraw/zinc/22/03/44/634220344.db2.gz PHPIMICGBBHLAH-MNOVXSKESA-N 1 2 247.335 0.467 20 0 BCADLO CCCNc1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000311131149 634222935 /nfs/dbraw/zinc/22/29/35/634222935.db2.gz AWRXMVCIGVNJBK-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CCCNc1cc(N[C@@H]2CC(=O)N(C)C2)[nH+]cn1 ZINC000311131149 634222937 /nfs/dbraw/zinc/22/29/37/634222937.db2.gz AWRXMVCIGVNJBK-SECBINFHSA-N 1 2 249.318 0.941 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(N)s1 ZINC000086766016 634228485 /nfs/dbraw/zinc/22/84/85/634228485.db2.gz BVVHTPKFIVOLQQ-UHFFFAOYSA-N 1 2 242.348 0.635 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(N)s1 ZINC000086766016 634228490 /nfs/dbraw/zinc/22/84/90/634228490.db2.gz BVVHTPKFIVOLQQ-UHFFFAOYSA-N 1 2 242.348 0.635 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000193868938 634294327 /nfs/dbraw/zinc/29/43/27/634294327.db2.gz MTYSXBUHFPEGAL-UHFFFAOYSA-N 1 2 235.287 0.932 20 0 BCADLO C=Cn1cc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000193868938 634294331 /nfs/dbraw/zinc/29/43/31/634294331.db2.gz MTYSXBUHFPEGAL-UHFFFAOYSA-N 1 2 235.287 0.932 20 0 BCADLO Cc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092915540 634360767 /nfs/dbraw/zinc/36/07/67/634360767.db2.gz JQOAOJGYCJRQGB-UHFFFAOYSA-N 1 2 247.258 0.805 20 0 BCADLO CC(C)(O)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981065669 635314095 /nfs/dbraw/zinc/31/40/95/635314095.db2.gz NRSWJLMBEWNIPX-UHFFFAOYSA-N 1 2 246.326 0.651 20 0 BCADLO CC(C)(O)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981065669 635314102 /nfs/dbraw/zinc/31/41/02/635314102.db2.gz NRSWJLMBEWNIPX-UHFFFAOYSA-N 1 2 246.326 0.651 20 0 BCADLO C[C@@]1(C(N)=O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893638250 635385691 /nfs/dbraw/zinc/38/56/91/635385691.db2.gz DDOQBIZJTYZORI-GFCCVEGCSA-N 1 2 245.286 0.431 20 0 BCADLO C[C@]1(C(N)=O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893638251 635387157 /nfs/dbraw/zinc/38/71/57/635387157.db2.gz DDOQBIZJTYZORI-LBPRGKRZSA-N 1 2 245.286 0.431 20 0 BCADLO CNc1cc(N2CCO[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000894223856 635757867 /nfs/dbraw/zinc/75/78/67/635757867.db2.gz QLZPIDDEMWSPKO-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000894223856 635757876 /nfs/dbraw/zinc/75/78/76/635757876.db2.gz QLZPIDDEMWSPKO-BDAKNGLRSA-N 1 2 238.291 0.104 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc(Cl)n1 ZINC000320542538 636265219 /nfs/dbraw/zinc/26/52/19/636265219.db2.gz KQBATUYZLPREJP-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc(Cl)n1 ZINC000320542538 636265221 /nfs/dbraw/zinc/26/52/21/636265221.db2.gz KQBATUYZLPREJP-AOOOYVTPSA-N 1 2 242.706 0.581 20 0 BCADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cnn(C)n1 ZINC000310564561 636268374 /nfs/dbraw/zinc/26/83/74/636268374.db2.gz LADSVYZMXPRWMA-JTQLQIEISA-N 1 2 239.323 0.065 20 0 BCADLO CCc1cc(N2CC[C@@H]2CO)nc(C)[nH+]1 ZINC000897119927 636269733 /nfs/dbraw/zinc/26/97/33/636269733.db2.gz KKQZRERKRJORLH-SNVBAGLBSA-N 1 2 207.277 0.918 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000928895966 636468676 /nfs/dbraw/zinc/46/86/76/636468676.db2.gz RAEKSRVLAVMVDY-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000928895725 636470010 /nfs/dbraw/zinc/47/00/10/636470010.db2.gz CVMFHXUHWWNGIA-GMTAPVOTSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000928895726 636471862 /nfs/dbraw/zinc/47/18/62/636471862.db2.gz CVMFHXUHWWNGIA-MXWKQRLJSA-N 1 2 249.314 0.597 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000928898407 636476743 /nfs/dbraw/zinc/47/67/43/636476743.db2.gz DOXHRGKUNUKMIV-BDAKNGLRSA-N 1 2 209.249 0.034 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000752096022 636556865 /nfs/dbraw/zinc/55/68/65/636556865.db2.gz WYFOYELWNLOXOA-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000752096022 636556870 /nfs/dbraw/zinc/55/68/70/636556870.db2.gz WYFOYELWNLOXOA-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2nncn2C)c[nH+]1 ZINC000897404965 636596942 /nfs/dbraw/zinc/59/69/42/636596942.db2.gz OGIUKBJMJWCPAC-UHFFFAOYSA-N 1 2 248.290 0.694 20 0 BCADLO COCCO[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000179343021 636810930 /nfs/dbraw/zinc/81/09/30/636810930.db2.gz WUVFMMFJSUQMDW-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO COCCO[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000179343021 636810937 /nfs/dbraw/zinc/81/09/37/636810937.db2.gz WUVFMMFJSUQMDW-GHMZBOCLSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1cc(C)[nH+]c(CN2CCNC(=O)C2)c1 ZINC000929137368 636828487 /nfs/dbraw/zinc/82/84/87/636828487.db2.gz FCOWFZIQRAXXFN-UHFFFAOYSA-N 1 2 219.288 0.630 20 0 BCADLO CNc1cc(N[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000323295518 636918063 /nfs/dbraw/zinc/91/80/63/636918063.db2.gz MYBCPVIALSUZDO-HTQZYQBOSA-N 1 2 208.265 0.844 20 0 BCADLO CNc1cc(N[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC000323295518 636918071 /nfs/dbraw/zinc/91/80/71/636918071.db2.gz MYBCPVIALSUZDO-HTQZYQBOSA-N 1 2 208.265 0.844 20 0 BCADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ncc[nH]1 ZINC000898502900 637046562 /nfs/dbraw/zinc/04/65/62/637046562.db2.gz IQMSNJSIOVYLEH-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ncc[nH]1 ZINC000898502900 637046567 /nfs/dbraw/zinc/04/65/67/637046567.db2.gz IQMSNJSIOVYLEH-SECBINFHSA-N 1 2 240.282 0.573 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898889107 637064003 /nfs/dbraw/zinc/06/40/03/637064003.db2.gz OGOAFUVYZBFTAI-SCZZXKLOSA-N 1 2 243.282 0.564 20 0 BCADLO C/C(=C\C(=O)NC(C)C)C[NH+]1CCOCC1 ZINC000899902461 637151297 /nfs/dbraw/zinc/15/12/97/637151297.db2.gz REGHUGXLRKCPRP-DHZHZOJOSA-N 1 2 226.320 0.790 20 0 BCADLO C/C=C\[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900920216 637203379 /nfs/dbraw/zinc/20/33/79/637203379.db2.gz OOXDZOWDPAPVIE-ZBJFTSOASA-N 1 2 209.249 0.271 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901012408 637223611 /nfs/dbraw/zinc/22/36/11/637223611.db2.gz CVYWWLCTZMHQND-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)n1C ZINC000901000567 637224267 /nfs/dbraw/zinc/22/42/67/637224267.db2.gz MWZQDEVPOVHNGX-UHFFFAOYSA-N 1 2 247.302 0.998 20 0 BCADLO Cc1[nH]c(CNC(=O)CC2OCCO2)[nH+]c1C ZINC000901000167 637226104 /nfs/dbraw/zinc/22/61/04/637226104.db2.gz LJWMPCQNILIENF-UHFFFAOYSA-N 1 2 239.275 0.406 20 0 BCADLO CCN(CCCO)C(=O)CNc1cccc[nH+]1 ZINC000901213804 637233878 /nfs/dbraw/zinc/23/38/78/637233878.db2.gz QYFZEVQXKHXTPI-UHFFFAOYSA-N 1 2 237.303 0.724 20 0 BCADLO NOCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000902426158 637304891 /nfs/dbraw/zinc/30/48/91/637304891.db2.gz ROBHYHIXZBYZPJ-LLVKDONJSA-N 1 2 247.302 0.764 20 0 BCADLO C[C@H]1OC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902614313 637314402 /nfs/dbraw/zinc/31/44/02/637314402.db2.gz WDAIOANVCGVYTC-ZCFIWIBFSA-N 1 2 221.216 0.531 20 0 BCADLO C[N@@H+]1CCO[C@@H](c2nc(-c3cnccn3)no2)C1 ZINC000904648367 637448879 /nfs/dbraw/zinc/44/88/79/637448879.db2.gz DLMIZILKNQGIKY-SECBINFHSA-N 1 2 247.258 0.530 20 0 BCADLO C[N@H+]1CCO[C@@H](c2nc(-c3cnccn3)no2)C1 ZINC000904648367 637448884 /nfs/dbraw/zinc/44/88/84/637448884.db2.gz DLMIZILKNQGIKY-SECBINFHSA-N 1 2 247.258 0.530 20 0 BCADLO Cc1cc(C)c(C(=O)N2CCNC(=O)C2)c(C)[nH+]1 ZINC000905145221 637653378 /nfs/dbraw/zinc/65/33/78/637653378.db2.gz LDBVOJYVRTYGSE-UHFFFAOYSA-N 1 2 247.298 0.579 20 0 BCADLO Cc1cccc([C@@H](O)C[NH2+]Cc2ncn(C)n2)c1 ZINC000905196746 637673285 /nfs/dbraw/zinc/67/32/85/637673285.db2.gz SPXUFXGMOIMANM-LBPRGKRZSA-N 1 2 246.314 0.947 20 0 BCADLO CC(F)(F)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905267590 637720187 /nfs/dbraw/zinc/72/01/87/637720187.db2.gz LUWMTTYFGOYMKO-ZETCQYMHSA-N 1 2 209.236 0.507 20 0 BCADLO CCC[C@@](C)([NH3+])c1nc(C2(N)CC2)no1 ZINC000905314320 637741389 /nfs/dbraw/zinc/74/13/89/637741389.db2.gz GJFMCPSXMARDPB-SECBINFHSA-N 1 2 210.281 0.991 20 0 BCADLO CCC[C@](C)([NH3+])c1nc(C2(N)CC2)no1 ZINC000905314321 637742352 /nfs/dbraw/zinc/74/23/52/637742352.db2.gz GJFMCPSXMARDPB-VIFPVBQESA-N 1 2 210.281 0.991 20 0 BCADLO CCC(F)(F)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905387723 637787023 /nfs/dbraw/zinc/78/70/23/637787023.db2.gz YCWQXUUCWHQSQP-QMMMGPOBSA-N 1 2 223.263 0.897 20 0 BCADLO Fc1c[nH+]ccc1NCc1cnc2n1CCOC2 ZINC000905412041 637800186 /nfs/dbraw/zinc/80/01/86/637800186.db2.gz SDSDOUVPHYIRGJ-UHFFFAOYSA-N 1 2 248.261 0.981 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@H+](CN3CCC3=O)C2)n1 ZINC000905715801 637894370 /nfs/dbraw/zinc/89/43/70/637894370.db2.gz SJMRRCOXRPNGCH-LLVKDONJSA-N 1 2 248.330 0.789 20 0 BCADLO Cn1ccc([C@@H]2CCC[N@@H+](CN3CCC3=O)C2)n1 ZINC000905715801 637894373 /nfs/dbraw/zinc/89/43/73/637894373.db2.gz SJMRRCOXRPNGCH-LLVKDONJSA-N 1 2 248.330 0.789 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C)CC2)C1 ZINC000905743652 637905071 /nfs/dbraw/zinc/90/50/71/637905071.db2.gz XYDZJSFVDLJDMP-MNOVXSKESA-N 1 2 242.319 0.302 20 0 BCADLO CO[C@H]1CC(=O)N(C[N@H+]2CCO[C@H](C)CC2)C1 ZINC000905743652 637905079 /nfs/dbraw/zinc/90/50/79/637905079.db2.gz XYDZJSFVDLJDMP-MNOVXSKESA-N 1 2 242.319 0.302 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C(=O)OC ZINC000905780473 637910967 /nfs/dbraw/zinc/91/09/67/637910967.db2.gz QPJBQISFJACVDF-AXTSPUMRSA-N 1 2 242.319 0.428 20 0 BCADLO CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000905774568 637929015 /nfs/dbraw/zinc/92/90/15/637929015.db2.gz QPJBQISFJACVDF-XKNYDFJKSA-N 1 2 242.319 0.428 20 0 BCADLO CCC(=O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905818082 637944230 /nfs/dbraw/zinc/94/42/30/637944230.db2.gz ZWQFSSDEYTYPEL-UHFFFAOYSA-N 1 2 231.259 0.896 20 0 BCADLO COCCOC1C[NH+](C[C@](C)(O)C(F)F)C1 ZINC000905951083 637998289 /nfs/dbraw/zinc/99/82/89/637998289.db2.gz UXRQYADNHMMSQD-JTQLQIEISA-N 1 2 239.262 0.350 20 0 BCADLO O=[S@](CC[NH+]1CCC1)C(F)(F)F ZINC000905949253 637995387 /nfs/dbraw/zinc/99/53/87/637995387.db2.gz IUDLRFNJKWDUTK-GFCCVEGCSA-N 1 2 201.213 0.961 20 0 BCADLO CC[N@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906267091 638130343 /nfs/dbraw/zinc/13/03/43/638130343.db2.gz OYZLEERGGUGVGA-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO CC[N@@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906267091 638130374 /nfs/dbraw/zinc/13/03/74/638130374.db2.gz OYZLEERGGUGVGA-UHFFFAOYSA-N 1 2 210.281 0.427 20 0 BCADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906291155 638132256 /nfs/dbraw/zinc/13/22/56/638132256.db2.gz TWLBKFBSEWOVBL-KWQFWETISA-N 1 2 222.292 0.568 20 0 BCADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906291155 638132263 /nfs/dbraw/zinc/13/22/63/638132263.db2.gz TWLBKFBSEWOVBL-KWQFWETISA-N 1 2 222.292 0.568 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906302000 638137328 /nfs/dbraw/zinc/13/73/28/638137328.db2.gz KNMBPJAQRDVTAX-MRVPVSSYSA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906302000 638137333 /nfs/dbraw/zinc/13/73/33/638137333.db2.gz KNMBPJAQRDVTAX-MRVPVSSYSA-N 1 2 210.281 0.426 20 0 BCADLO C[N@H+](CCOCCO)Cc1cn(C2CC2)nn1 ZINC000906298584 638137482 /nfs/dbraw/zinc/13/74/82/638137482.db2.gz JZVCGUGOKSPTDU-UHFFFAOYSA-N 1 2 240.307 0.054 20 0 BCADLO C[N@@H+](CCOCCO)Cc1cn(C2CC2)nn1 ZINC000906298584 638137484 /nfs/dbraw/zinc/13/74/84/638137484.db2.gz JZVCGUGOKSPTDU-UHFFFAOYSA-N 1 2 240.307 0.054 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906310311 638141243 /nfs/dbraw/zinc/14/12/43/638141243.db2.gz ATLYLZLGAVHCNZ-SECBINFHSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906310311 638141250 /nfs/dbraw/zinc/14/12/50/638141250.db2.gz ATLYLZLGAVHCNZ-SECBINFHSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906322372 638144696 /nfs/dbraw/zinc/14/46/96/638144696.db2.gz ZXPDBJHWBRIQRE-SKDRFNHKSA-N 1 2 236.319 0.958 20 0 BCADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906322372 638144700 /nfs/dbraw/zinc/14/47/00/638144700.db2.gz ZXPDBJHWBRIQRE-SKDRFNHKSA-N 1 2 236.319 0.958 20 0 BCADLO CNC(=O)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906360885 638151578 /nfs/dbraw/zinc/15/15/78/638151578.db2.gz YXLKWBFJHDIAHN-SNVBAGLBSA-N 1 2 249.314 0.871 20 0 BCADLO CCc1nc[nH]c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000906640811 638226901 /nfs/dbraw/zinc/22/69/01/638226901.db2.gz VGEPRPUCMCGTAP-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO COC(=O)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000906767679 638242888 /nfs/dbraw/zinc/24/28/88/638242888.db2.gz VZFZKBSBMFYBNP-VIFPVBQESA-N 1 2 239.275 0.199 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906882981 638261349 /nfs/dbraw/zinc/26/13/49/638261349.db2.gz KMDSETHTWUPYER-AVPPRXQKSA-N 1 2 233.271 0.559 20 0 BCADLO C[C@@]1(CO)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000907374431 638365249 /nfs/dbraw/zinc/36/52/49/638365249.db2.gz ODJIXYJZLGDYGX-ZDUSSCGKSA-N 1 2 249.314 0.867 20 0 BCADLO CN(CC1(O)CCC1)C(=O)CNc1cccc[nH+]1 ZINC000907371146 638365767 /nfs/dbraw/zinc/36/57/67/638365767.db2.gz XFCHVGVUOHQALE-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1(CO)CCCC1 ZINC000907452510 638388528 /nfs/dbraw/zinc/38/85/28/638388528.db2.gz QFGCKASTSXBNCW-UHFFFAOYSA-N 1 2 237.303 0.621 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000907501808 638395353 /nfs/dbraw/zinc/39/53/53/638395353.db2.gz QUFANDVUTPEYAD-NXEZZACHSA-N 1 2 223.276 0.372 20 0 BCADLO COC(=O)C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000907511567 638400121 /nfs/dbraw/zinc/40/01/21/638400121.db2.gz QZQGFDUOSQTLPC-UHFFFAOYSA-N 1 2 237.259 0.022 20 0 BCADLO CC[C@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907550692 638404524 /nfs/dbraw/zinc/40/45/24/638404524.db2.gz RDEGCTRZZVAZTG-ZDUSSCGKSA-N 1 2 249.314 0.867 20 0 BCADLO O=C(CNc1cccc[nH+]1)N(CCO)C1CCC1 ZINC000907619827 638420942 /nfs/dbraw/zinc/42/09/42/638420942.db2.gz GVYPMRUPRCUCIU-UHFFFAOYSA-N 1 2 249.314 0.867 20 0 BCADLO CC[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000907705140 638450447 /nfs/dbraw/zinc/45/04/47/638450447.db2.gz QYKSOTCRGUDKBQ-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCCCO ZINC000907803335 638470298 /nfs/dbraw/zinc/47/02/98/638470298.db2.gz MTNZAYIMNVHVAH-UHFFFAOYSA-N 1 2 223.276 0.382 20 0 BCADLO NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907905680 638508674 /nfs/dbraw/zinc/50/86/74/638508674.db2.gz WAQWMFJQLLOPOC-BDAKNGLRSA-N 1 2 244.254 0.394 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C(F)F)C1 ZINC000908036166 638558701 /nfs/dbraw/zinc/55/87/01/638558701.db2.gz NHGUKKSBYXSTHG-QMMMGPOBSA-N 1 2 245.229 0.445 20 0 BCADLO CC1(C)SC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908063015 638564444 /nfs/dbraw/zinc/56/44/44/638564444.db2.gz FATNLJUGZQGPIV-QMMMGPOBSA-N 1 2 225.317 0.962 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908135157 638580528 /nfs/dbraw/zinc/58/05/28/638580528.db2.gz YQKCANFXGKMQFP-GZWSGWKISA-N 1 2 235.287 0.251 20 0 BCADLO C[C@@H]1COCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908158830 638583174 /nfs/dbraw/zinc/58/31/74/638583174.db2.gz ATZFFWVYHSHGLH-NXEZZACHSA-N 1 2 237.303 0.741 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC(F)(F)C1 ZINC000908239886 638622762 /nfs/dbraw/zinc/62/27/62/638622762.db2.gz SNDFZSPGBXBYKE-UHFFFAOYSA-N 1 2 245.229 0.446 20 0 BCADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000908261990 638626516 /nfs/dbraw/zinc/62/65/16/638626516.db2.gz UHQKVHKVMRKFKB-KOLCDFICSA-N 1 2 237.303 0.851 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1Cc2c[nH]nc2C1 ZINC000908335065 638655968 /nfs/dbraw/zinc/65/59/68/638655968.db2.gz GQKLBODLTAKIDX-UHFFFAOYSA-N 1 2 243.270 0.759 20 0 BCADLO C/C(=C\C(=O)N[C@@H](C)CF)C[NH+]1CCOCC1 ZINC000908377536 638673536 /nfs/dbraw/zinc/67/35/36/638673536.db2.gz JBSDQMXVYFXQRX-HUYFXPKMSA-N 1 2 244.310 0.739 20 0 BCADLO CCN(CC(C)=O)C(=O)CCc1[nH]cc[nH+]1 ZINC000908392988 638692262 /nfs/dbraw/zinc/69/22/62/638692262.db2.gz YHICKZXOZGZTRY-UHFFFAOYSA-N 1 2 223.276 0.780 20 0 BCADLO CCN(CC(C)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC000908393372 638692426 /nfs/dbraw/zinc/69/24/26/638692426.db2.gz CIKLMHWYZDJQOB-UHFFFAOYSA-N 1 2 209.249 0.390 20 0 BCADLO COC[C@@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000908407814 638698033 /nfs/dbraw/zinc/69/80/33/638698033.db2.gz LWBXSGHPYFEKPH-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO CCN(CC(C)=O)C(=O)Cn1cc[nH+]c1 ZINC000908387865 638701683 /nfs/dbraw/zinc/70/16/83/638701683.db2.gz RDLBSSRCFAQCAI-UHFFFAOYSA-N 1 2 209.249 0.321 20 0 BCADLO C[C@H]1CCC[C@@]1(O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908446240 638719793 /nfs/dbraw/zinc/71/97/93/638719793.db2.gz RPGDGCWGNRBRDU-JOYOIKCWSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCOC2 ZINC000908456492 638743274 /nfs/dbraw/zinc/74/32/74/638743274.db2.gz FIANMAMBHVJFAZ-UHFFFAOYSA-N 1 2 221.260 0.201 20 0 BCADLO CC[C@H](CO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908518914 638994988 /nfs/dbraw/zinc/99/49/88/638994988.db2.gz KFTHZWGPGKSMER-SECBINFHSA-N 1 2 211.265 0.182 20 0 BCADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NOCC[NH+](C)C ZINC000908527469 638997323 /nfs/dbraw/zinc/99/73/23/638997323.db2.gz FUHKWNCOFHYMLK-LPEHRKFASA-N 1 2 230.308 0.267 20 0 BCADLO CC1(C)OCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908549621 639009710 /nfs/dbraw/zinc/00/97/10/639009710.db2.gz CSMYGTNWTYLONO-SECBINFHSA-N 1 2 223.276 0.636 20 0 BCADLO CC[C@@H]1[C@@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908561453 639016338 /nfs/dbraw/zinc/01/63/38/639016338.db2.gz SYFOKPHDDVUGPT-MWLCHTKSSA-N 1 2 237.303 0.572 20 0 BCADLO CS[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908565449 639017120 /nfs/dbraw/zinc/01/71/20/639017120.db2.gz GERZJARZEJBDHX-VIFPVBQESA-N 1 2 225.317 0.916 20 0 BCADLO C[C@@H]1[C@H](O)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000908697557 639048952 /nfs/dbraw/zinc/04/89/52/639048952.db2.gz SWURAEKSEOSLAM-GHMZBOCLSA-N 1 2 249.314 0.865 20 0 BCADLO C/C(=C\C(=O)N1CCOC1)C[NH+]1CCOCC1 ZINC000908706511 639057632 /nfs/dbraw/zinc/05/76/32/639057632.db2.gz MQTCHQYJIYDULC-DHZHZOJOSA-N 1 2 240.303 0.081 20 0 BCADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000908758377 639061557 /nfs/dbraw/zinc/06/15/57/639061557.db2.gz JLZMAOGYTLIKQK-UMNHJUIQSA-N 1 2 249.314 0.739 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757908 639061724 /nfs/dbraw/zinc/06/17/24/639061724.db2.gz FOUZMWBMAYGCPU-KKZNHRDASA-N 1 2 237.303 0.331 20 0 BCADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000908758375 639062220 /nfs/dbraw/zinc/06/22/20/639062220.db2.gz JLZMAOGYTLIKQK-JBLDHEPKSA-N 1 2 249.314 0.739 20 0 BCADLO CCc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)no1 ZINC000908760950 639062722 /nfs/dbraw/zinc/06/27/22/639062722.db2.gz QDYDJPVJJVUEKB-QMMMGPOBSA-N 1 2 246.270 0.788 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[C@H]1O ZINC000909248234 639182907 /nfs/dbraw/zinc/18/29/07/639182907.db2.gz YWGKSTFPGZICDP-GXSJLCMTSA-N 1 2 237.303 0.620 20 0 BCADLO CO[C@H]([C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000909264192 639188170 /nfs/dbraw/zinc/18/81/70/639188170.db2.gz CLYGCBJOLUWBAV-PRHODGIISA-N 1 2 237.303 0.882 20 0 BCADLO C/C=C/[C@@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856532 639232291 /nfs/dbraw/zinc/23/22/91/639232291.db2.gz NOBQKKDZOVFVSJ-HMDXOVGESA-N 1 2 223.276 0.016 20 0 BCADLO CCO[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909859061 639233685 /nfs/dbraw/zinc/23/36/85/639233685.db2.gz PQLJCQFUBYKVCD-WAAGHKOSSA-N 1 2 223.276 0.636 20 0 BCADLO CCC[C@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000909877674 639248943 /nfs/dbraw/zinc/24/89/43/639248943.db2.gz MLECNXHHWRQURU-VIFPVBQESA-N 1 2 224.260 0.868 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=CC1 ZINC000910015887 639331869 /nfs/dbraw/zinc/33/18/69/639331869.db2.gz OPEWOASMRKYJBW-JTQLQIEISA-N 1 2 217.272 0.844 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000910436462 639447456 /nfs/dbraw/zinc/44/74/56/639447456.db2.gz VLRWTNYFKJBWAS-OPRDCNLKSA-N 1 2 237.303 0.882 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H](CO)C1 ZINC000910559100 639481439 /nfs/dbraw/zinc/48/14/39/639481439.db2.gz HYLCDEUUIOQPOO-UWVGGRQHSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@H]1[C@H](CO)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910561313 639481609 /nfs/dbraw/zinc/48/16/09/639481609.db2.gz SXIVUVRZYSPMDR-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000911327201 639620415 /nfs/dbraw/zinc/62/04/15/639620415.db2.gz LHAVBFFCQZLSTG-AYMMMOKOSA-N 1 2 205.261 0.867 20 0 BCADLO Cn1cc(C(=O)NCCn2cc[nH+]c2)cc1C=O ZINC000930220481 639641567 /nfs/dbraw/zinc/64/15/67/639641567.db2.gz BRPMICVSDQXXRG-UHFFFAOYSA-N 1 2 246.270 0.464 20 0 BCADLO CC1(CC(=O)NCCn2cc[nH+]c2)COC1 ZINC000930220492 639641683 /nfs/dbraw/zinc/64/16/83/639641683.db2.gz BWFXHMGWLTUSGB-UHFFFAOYSA-N 1 2 223.276 0.426 20 0 BCADLO CCCONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911552740 639665778 /nfs/dbraw/zinc/66/57/78/639665778.db2.gz KYGYLXVLQLENMC-PKNBQFBNSA-N 1 2 242.319 0.723 20 0 BCADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911572805 639669925 /nfs/dbraw/zinc/66/99/25/639669925.db2.gz IBIMEWZNHWHBCG-WUIHGDLDSA-N 1 2 235.287 0.251 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1n[nH]cc1F ZINC000911573112 639670010 /nfs/dbraw/zinc/67/00/10/639670010.db2.gz YANLGJWYERIMET-SSDOTTSWSA-N 1 2 249.249 0.490 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911572800 639670158 /nfs/dbraw/zinc/67/01/58/639670158.db2.gz IBIMEWZNHWHBCG-GZWSGWKISA-N 1 2 235.287 0.251 20 0 BCADLO C[C@@H]1SCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911603881 639674342 /nfs/dbraw/zinc/67/43/42/639674342.db2.gz CFIZZDANUPHFBU-CBAPKCEASA-N 1 2 225.317 0.962 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C1(O)CCCC1 ZINC000930288326 639680797 /nfs/dbraw/zinc/68/07/97/639680797.db2.gz UULZVVHCGGAFNP-NXEZZACHSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C1(O)CCCC1 ZINC000930288326 639680800 /nfs/dbraw/zinc/68/08/00/639680800.db2.gz UULZVVHCGGAFNP-NXEZZACHSA-N 1 2 245.319 0.146 20 0 BCADLO CC[C@H](CO)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000930283871 639681374 /nfs/dbraw/zinc/68/13/74/639681374.db2.gz NFVLJKFUNYGLNO-SECBINFHSA-N 1 2 240.307 0.461 20 0 BCADLO COCC(COC)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000930342413 639716671 /nfs/dbraw/zinc/71/66/71/639716671.db2.gz JOYJPBUHXBICDL-SECBINFHSA-N 1 2 239.262 0.614 20 0 BCADLO COCC(COC)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000930342413 639716675 /nfs/dbraw/zinc/71/66/75/639716675.db2.gz JOYJPBUHXBICDL-SECBINFHSA-N 1 2 239.262 0.614 20 0 BCADLO Cc1nocc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000911675525 639718322 /nfs/dbraw/zinc/71/83/22/639718322.db2.gz CMKSUWXLKBGTBK-LDYMZIIASA-N 1 2 239.275 0.377 20 0 BCADLO Cc1nocc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000911675525 639718331 /nfs/dbraw/zinc/71/83/31/639718331.db2.gz CMKSUWXLKBGTBK-LDYMZIIASA-N 1 2 239.275 0.377 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000930360297 639730448 /nfs/dbraw/zinc/73/04/48/639730448.db2.gz JVZFRNMNOJZATC-UMNHJUIQSA-N 1 2 247.310 0.980 20 0 BCADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000930360297 639730454 /nfs/dbraw/zinc/73/04/54/639730454.db2.gz JVZFRNMNOJZATC-UMNHJUIQSA-N 1 2 247.310 0.980 20 0 BCADLO C[C@@H](O)[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000930462067 639764537 /nfs/dbraw/zinc/76/45/37/639764537.db2.gz FEHKTZLXFIHKFT-LDYMZIIASA-N 1 2 208.261 0.139 20 0 BCADLO C[C@@H](O)[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000930462067 639764548 /nfs/dbraw/zinc/76/45/48/639764548.db2.gz FEHKTZLXFIHKFT-LDYMZIIASA-N 1 2 208.261 0.139 20 0 BCADLO CCn1cc(C[N@H+](C)C[C@H](C)OC)nn1 ZINC000930476015 639772810 /nfs/dbraw/zinc/77/28/10/639772810.db2.gz LRUYQPKBCZNUGY-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CCn1cc(C[N@@H+](C)C[C@H](C)OC)nn1 ZINC000930476015 639772839 /nfs/dbraw/zinc/77/28/39/639772839.db2.gz LRUYQPKBCZNUGY-VIFPVBQESA-N 1 2 212.297 0.765 20 0 BCADLO CC1CC(C[N@@H+]2CCn3nnc(CO)c3C2)C1 ZINC000930527777 639801526 /nfs/dbraw/zinc/80/15/26/639801526.db2.gz DEVHETPYGYIAEM-UHFFFAOYSA-N 1 2 236.319 0.632 20 0 BCADLO CC1CC(C[N@H+]2CCn3nnc(CO)c3C2)C1 ZINC000930527777 639801532 /nfs/dbraw/zinc/80/15/32/639801532.db2.gz DEVHETPYGYIAEM-UHFFFAOYSA-N 1 2 236.319 0.632 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@@H]21 ZINC000930544987 639809113 /nfs/dbraw/zinc/80/91/13/639809113.db2.gz RQQNUIYLKWVMJL-UKKRHICBSA-N 1 2 247.298 0.888 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@@H]21 ZINC000930544987 639809117 /nfs/dbraw/zinc/80/91/17/639809117.db2.gz RQQNUIYLKWVMJL-UKKRHICBSA-N 1 2 247.298 0.888 20 0 BCADLO CON1CC[C@H]([N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)C1=O ZINC000930580624 639813589 /nfs/dbraw/zinc/81/35/89/639813589.db2.gz XXGKXRMZEVDSAW-AXFHLTTASA-N 1 2 241.335 0.173 20 0 BCADLO CON1CC[C@H]([N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)C1=O ZINC000930580624 639813590 /nfs/dbraw/zinc/81/35/90/639813590.db2.gz XXGKXRMZEVDSAW-AXFHLTTASA-N 1 2 241.335 0.173 20 0 BCADLO CON1CC[C@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000930593711 639815452 /nfs/dbraw/zinc/81/54/52/639815452.db2.gz CMIDHNBTTOAWBZ-ONGXEEELSA-N 1 2 230.283 0.973 20 0 BCADLO CON1CC[C@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000930593711 639815453 /nfs/dbraw/zinc/81/54/53/639815453.db2.gz CMIDHNBTTOAWBZ-ONGXEEELSA-N 1 2 230.283 0.973 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000930678078 639861372 /nfs/dbraw/zinc/86/13/72/639861372.db2.gz UOHOCIZFDCOJNJ-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ncccc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000930678078 639861374 /nfs/dbraw/zinc/86/13/74/639861374.db2.gz UOHOCIZFDCOJNJ-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC(C)(F)F ZINC000930692988 639864791 /nfs/dbraw/zinc/86/47/91/639864791.db2.gz PFVMFUZHQUXTEZ-SECBINFHSA-N 1 2 239.262 0.935 20 0 BCADLO C=C/C=C\CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930735046 639884986 /nfs/dbraw/zinc/88/49/86/639884986.db2.gz MFQZCSSZABIHEX-ARJAWSKDSA-N 1 2 216.306 0.091 20 0 BCADLO CCOCCOCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930740525 639889609 /nfs/dbraw/zinc/88/96/09/639889609.db2.gz ZOFHMEFALLISOQ-VXGBXAGGSA-N 1 2 247.335 0.121 20 0 BCADLO CCOCCOCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000930740525 639889613 /nfs/dbraw/zinc/88/96/13/639889613.db2.gz ZOFHMEFALLISOQ-VXGBXAGGSA-N 1 2 247.335 0.121 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2nncs2)C1 ZINC000930748812 639894690 /nfs/dbraw/zinc/89/46/90/639894690.db2.gz LWKUVTZMZPKSJU-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2nncs2)C1 ZINC000930748812 639894693 /nfs/dbraw/zinc/89/46/93/639894693.db2.gz LWKUVTZMZPKSJU-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncccn1 ZINC000930816651 639919168 /nfs/dbraw/zinc/91/91/68/639919168.db2.gz ARLIACSRUKAWNY-OPRDCNLKSA-N 1 2 223.276 0.541 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCOC(F)F ZINC000930843437 639941754 /nfs/dbraw/zinc/94/17/54/639941754.db2.gz RPEZVHKGIJZAKW-BIIVOSGPSA-N 1 2 236.262 0.823 20 0 BCADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCOC(F)F ZINC000930843437 639941759 /nfs/dbraw/zinc/94/17/59/639941759.db2.gz RPEZVHKGIJZAKW-BIIVOSGPSA-N 1 2 236.262 0.823 20 0 BCADLO CCc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000930863603 639955721 /nfs/dbraw/zinc/95/57/21/639955721.db2.gz PETZHJNQPQCHFA-ACZUWMGVSA-N 1 2 240.328 0.942 20 0 BCADLO CCc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000930863603 639955725 /nfs/dbraw/zinc/95/57/25/639955725.db2.gz PETZHJNQPQCHFA-ACZUWMGVSA-N 1 2 240.328 0.942 20 0 BCADLO C[C@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930871333 639962029 /nfs/dbraw/zinc/96/20/29/639962029.db2.gz AMMNVCQUGOFFFS-XVKPBYJWSA-N 1 2 201.266 0.441 20 0 BCADLO C[C@@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930871319 639963472 /nfs/dbraw/zinc/96/34/72/639963472.db2.gz AMMNVCQUGOFFFS-GMSGAONNSA-N 1 2 201.266 0.441 20 0 BCADLO C[C@@H](CO)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930878635 639968340 /nfs/dbraw/zinc/96/83/40/639968340.db2.gz ZWTYWQBXEASJAA-LDYMZIIASA-N 1 2 215.293 0.689 20 0 BCADLO CC[N@H+](C[C@@H](O)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000930919212 639987774 /nfs/dbraw/zinc/98/77/74/639987774.db2.gz IXVOZPLDGHRSCB-NXEZZACHSA-N 1 2 247.335 0.392 20 0 BCADLO CC[N@@H+](C[C@@H](O)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000930919212 639987780 /nfs/dbraw/zinc/98/77/80/639987780.db2.gz IXVOZPLDGHRSCB-NXEZZACHSA-N 1 2 247.335 0.392 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(=O)C[C@H]1C1CC1 ZINC000912185442 639988059 /nfs/dbraw/zinc/98/80/59/639988059.db2.gz RWYZOVCOLOCYMO-NSHDSACASA-N 1 2 247.298 0.922 20 0 BCADLO [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000912250172 640012009 /nfs/dbraw/zinc/01/20/09/640012009.db2.gz RVNSLBPBWDIQCU-XPUUQOCRSA-N 1 2 231.259 0.491 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H](OC)C1 ZINC000931035646 640028353 /nfs/dbraw/zinc/02/83/53/640028353.db2.gz RLMWGHHORLXRCH-AXFHLTTASA-N 1 2 243.303 0.490 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](OC)C1 ZINC000931035646 640028355 /nfs/dbraw/zinc/02/83/55/640028355.db2.gz RLMWGHHORLXRCH-AXFHLTTASA-N 1 2 243.303 0.490 20 0 BCADLO CCn1ccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000912406161 640055417 /nfs/dbraw/zinc/05/54/17/640055417.db2.gz CMSKUVQTQAMTJB-UHFFFAOYSA-N 1 2 219.248 0.807 20 0 BCADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931080499 640061078 /nfs/dbraw/zinc/06/10/78/640061078.db2.gz RQUVHHQEKPMTSJ-XKSSXDPKSA-N 1 2 239.262 0.084 20 0 BCADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931080499 640061080 /nfs/dbraw/zinc/06/10/80/640061080.db2.gz RQUVHHQEKPMTSJ-XKSSXDPKSA-N 1 2 239.262 0.084 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1COC2(CCC2)C1 ZINC000912460109 640068231 /nfs/dbraw/zinc/06/82/31/640068231.db2.gz ZATRTINZLAVZAH-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO Cc1n[nH]nc1NC(=O)C[NH+]1CCCC1 ZINC000912470201 640086081 /nfs/dbraw/zinc/08/60/81/640086081.db2.gz RCAMWSZJELRNQB-UHFFFAOYSA-N 1 2 209.253 0.147 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccoc1 ZINC000912497079 640095017 /nfs/dbraw/zinc/09/50/17/640095017.db2.gz BFYYGGRBXCGBER-UHFFFAOYSA-N 1 2 219.244 0.904 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931232356 640104625 /nfs/dbraw/zinc/10/46/25/640104625.db2.gz BDSMMVMKPHNILT-IUCAKERBSA-N 1 2 233.333 0.140 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931232356 640104637 /nfs/dbraw/zinc/10/46/37/640104637.db2.gz BDSMMVMKPHNILT-IUCAKERBSA-N 1 2 233.333 0.140 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1n[nH]cc1F ZINC000912585727 640120435 /nfs/dbraw/zinc/12/04/35/640120435.db2.gz ZXNPQNIYRORCTP-ZETCQYMHSA-N 1 2 235.222 0.620 20 0 BCADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584695 640120536 /nfs/dbraw/zinc/12/05/36/640120536.db2.gz SDIAREWMUATMTA-DWNUIHGBSA-N 1 2 221.260 0.381 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C=C1CCC1 ZINC000912613581 640138590 /nfs/dbraw/zinc/13/85/90/640138590.db2.gz CWEOOTBVPINMIV-SNVBAGLBSA-N 1 2 235.287 0.680 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CCC2(COC2)C1 ZINC000912707003 640173191 /nfs/dbraw/zinc/17/31/91/640173191.db2.gz GROAYTAUVKNKHC-UHFFFAOYSA-N 1 2 247.298 0.742 20 0 BCADLO C[N@H+](CCC(=O)OC(C)(C)C)[C@H]1CCOC1=O ZINC000150927443 640185887 /nfs/dbraw/zinc/18/58/87/640185887.db2.gz VCASBXIPRYCLOH-VIFPVBQESA-N 1 2 243.303 0.966 20 0 BCADLO C[N@@H+](CCC(=O)OC(C)(C)C)[C@H]1CCOC1=O ZINC000150927443 640185892 /nfs/dbraw/zinc/18/58/92/640185892.db2.gz VCASBXIPRYCLOH-VIFPVBQESA-N 1 2 243.303 0.966 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nc1 ZINC000912741376 640190436 /nfs/dbraw/zinc/19/04/36/640190436.db2.gz TWIHNFFPZCFNQN-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)nc1 ZINC000912741376 640190438 /nfs/dbraw/zinc/19/04/38/640190438.db2.gz TWIHNFFPZCFNQN-NSHDSACASA-N 1 2 249.314 0.139 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nc1 ZINC000912741375 640191142 /nfs/dbraw/zinc/19/11/42/640191142.db2.gz TWIHNFFPZCFNQN-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nc1 ZINC000912741375 640191147 /nfs/dbraw/zinc/19/11/47/640191147.db2.gz TWIHNFFPZCFNQN-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO CCCSCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746811 640194933 /nfs/dbraw/zinc/19/49/33/640194933.db2.gz SDMVTLNEVJBITN-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO CCCSCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746811 640194937 /nfs/dbraw/zinc/19/49/37/640194937.db2.gz SDMVTLNEVJBITN-JTQLQIEISA-N 1 2 246.376 0.265 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCOCCF ZINC000912763846 640196819 /nfs/dbraw/zinc/19/68/19/640196819.db2.gz DMXYFGUTCDOUBM-UHFFFAOYSA-N 1 2 215.228 0.055 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931453811 640212840 /nfs/dbraw/zinc/21/28/40/640212840.db2.gz TVKUZTLRKXAWDC-BDAKNGLRSA-N 1 2 248.330 0.996 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931453811 640212842 /nfs/dbraw/zinc/21/28/42/640212842.db2.gz TVKUZTLRKXAWDC-BDAKNGLRSA-N 1 2 248.330 0.996 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)Cc2c[nH]nc21 ZINC000931454760 640212920 /nfs/dbraw/zinc/21/29/20/640212920.db2.gz FHWLXGLGSGHPAC-SECBINFHSA-N 1 2 234.303 0.561 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)Cc2c[nH]nc21 ZINC000931454760 640212923 /nfs/dbraw/zinc/21/29/23/640212923.db2.gz FHWLXGLGSGHPAC-SECBINFHSA-N 1 2 234.303 0.561 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461070 640220207 /nfs/dbraw/zinc/22/02/07/640220207.db2.gz QGYPRKQRYYDKLL-APPZFPTMSA-N 1 2 248.286 0.134 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461070 640220213 /nfs/dbraw/zinc/22/02/13/640220213.db2.gz QGYPRKQRYYDKLL-APPZFPTMSA-N 1 2 248.286 0.134 20 0 BCADLO Cc1cn(C(C)(C)C(=O)Nc2nnn(C)n2)c[nH+]1 ZINC000912834271 640221875 /nfs/dbraw/zinc/22/18/75/640221875.db2.gz VEYXXPZIVKMHBT-UHFFFAOYSA-N 1 2 249.278 0.089 20 0 BCADLO Cc1nc(N2CC[NH+](Cc3cn[nH]c3)CC2)n[nH]1 ZINC000931630679 640297256 /nfs/dbraw/zinc/29/72/56/640297256.db2.gz RKQGHWOCADFLEM-UHFFFAOYSA-N 1 2 247.306 0.158 20 0 BCADLO COC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913152562 640313828 /nfs/dbraw/zinc/31/38/28/640313828.db2.gz OJKXHJOHEYSDTD-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO O=C(C[NH+]1CCC(F)CC1)Nc1cccnn1 ZINC000931685181 640316237 /nfs/dbraw/zinc/31/62/37/640316237.db2.gz DKEGQNRQRAFYBH-UHFFFAOYSA-N 1 2 238.266 0.849 20 0 BCADLO CC[C@H](CO)[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000931756633 640353036 /nfs/dbraw/zinc/35/30/36/640353036.db2.gz LAWVKEZARIVNGE-MXWKQRLJSA-N 1 2 245.319 0.458 20 0 BCADLO CCNC(=O)C[NH+]1CCN(C/C=C\Cl)CC1 ZINC000913395687 640365920 /nfs/dbraw/zinc/36/59/20/640365920.db2.gz OGRFTVIAYNGHKN-ARJAWSKDSA-N 1 2 245.754 0.493 20 0 BCADLO CC1(C)C[C@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913449809 640372612 /nfs/dbraw/zinc/37/26/12/640372612.db2.gz PWPUHFQTYXLNAD-QWRGUYRKSA-N 1 2 248.330 0.929 20 0 BCADLO O=C(/C=C/C1CC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447725 640373682 /nfs/dbraw/zinc/37/36/82/640373682.db2.gz SRCQQWKJXBWPBQ-PCAWENJQSA-N 1 2 246.314 0.849 20 0 BCADLO CC(C)n1nnc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000913484337 640374540 /nfs/dbraw/zinc/37/45/40/640374540.db2.gz HODSTEKFZMVUTG-UHFFFAOYSA-N 1 2 235.251 0.089 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)n[nH]1 ZINC000931905010 640384199 /nfs/dbraw/zinc/38/41/99/640384199.db2.gz GBTKWMUOYVEMSU-SECBINFHSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC000931905010 640384205 /nfs/dbraw/zinc/38/42/05/640384205.db2.gz GBTKWMUOYVEMSU-SECBINFHSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC000931905010 640384210 /nfs/dbraw/zinc/38/42/10/640384210.db2.gz GBTKWMUOYVEMSU-SECBINFHSA-N 1 2 237.307 0.924 20 0 BCADLO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC000931905010 640384214 /nfs/dbraw/zinc/38/42/14/640384214.db2.gz GBTKWMUOYVEMSU-SECBINFHSA-N 1 2 237.307 0.924 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC23CCC3)C[C@H]1CO ZINC000913547344 640388524 /nfs/dbraw/zinc/38/85/24/640388524.db2.gz MGUBFANHARPOHL-QWRGUYRKSA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@@H]2CC23CCC3)C[C@H]1CO ZINC000913547344 640388533 /nfs/dbraw/zinc/38/85/33/640388533.db2.gz MGUBFANHARPOHL-QWRGUYRKSA-N 1 2 238.331 0.312 20 0 BCADLO CCC(C)(CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544711 640392254 /nfs/dbraw/zinc/39/22/54/640392254.db2.gz KNATYFCVQXWLKW-NSHDSACASA-N 1 2 242.363 0.948 20 0 BCADLO CCC(C)(CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544711 640392260 /nfs/dbraw/zinc/39/22/60/640392260.db2.gz KNATYFCVQXWLKW-NSHDSACASA-N 1 2 242.363 0.948 20 0 BCADLO C[N@@H+]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CO ZINC000913542656 640394123 /nfs/dbraw/zinc/39/41/23/640394123.db2.gz ONHZXHFXMCWPFE-LLVKDONJSA-N 1 2 240.347 0.558 20 0 BCADLO C[N@H+]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CO ZINC000913542656 640394128 /nfs/dbraw/zinc/39/41/28/640394128.db2.gz ONHZXHFXMCWPFE-LLVKDONJSA-N 1 2 240.347 0.558 20 0 BCADLO Cn1ccc([C@H]2CCC[N@@H+]([C@H]3CCOC3=O)C2)n1 ZINC000932137298 640437231 /nfs/dbraw/zinc/43/72/31/640437231.db2.gz ZGBSZVGDMGTNTI-JQWIXIFHSA-N 1 2 249.314 0.915 20 0 BCADLO Cn1ccc([C@H]2CCC[N@H+]([C@H]3CCOC3=O)C2)n1 ZINC000932137298 640437235 /nfs/dbraw/zinc/43/72/35/640437235.db2.gz ZGBSZVGDMGTNTI-JQWIXIFHSA-N 1 2 249.314 0.915 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137354 640437514 /nfs/dbraw/zinc/43/75/14/640437514.db2.gz UIWLKZDIDCCMMO-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137354 640437518 /nfs/dbraw/zinc/43/75/18/640437518.db2.gz UIWLKZDIDCCMMO-SNVBAGLBSA-N 1 2 237.303 0.773 20 0 BCADLO Cc1nnc(C[N@@H+]2CCO[C@H](C)CC2)o1 ZINC000932338602 640481158 /nfs/dbraw/zinc/48/11/58/640481158.db2.gz CAZBIXORKDCDDR-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nnc(C[N@H+]2CCO[C@H](C)CC2)o1 ZINC000932338602 640481165 /nfs/dbraw/zinc/48/11/65/640481165.db2.gz CAZBIXORKDCDDR-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CCOC ZINC000045038247 640497625 /nfs/dbraw/zinc/49/76/25/640497625.db2.gz JLVYMDWNCPELNK-RKDXNWHRSA-N 1 2 203.282 0.953 20 0 BCADLO CC[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(N)=O ZINC000932360358 640499398 /nfs/dbraw/zinc/49/93/98/640499398.db2.gz LOWUGXQENPRLII-VHSXEESVSA-N 1 2 234.303 0.781 20 0 BCADLO CC(=O)NC1C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC001030036201 640525416 /nfs/dbraw/zinc/52/54/16/640525416.db2.gz LNFCFQBQIWSXJA-UHFFFAOYSA-N 1 2 247.298 0.106 20 0 BCADLO Cn1nccc1CC[NH+]1CC(NC(=O)C2CC2)C1 ZINC001030040784 640535367 /nfs/dbraw/zinc/53/53/67/640535367.db2.gz YPYRYSIQJAIQHK-UHFFFAOYSA-N 1 2 248.330 0.173 20 0 BCADLO CC(C)(F)C(=O)NC1C[NH+](CCCF)C1 ZINC001030050222 640543138 /nfs/dbraw/zinc/54/31/38/640543138.db2.gz VCFXVOHMOMXZBW-UHFFFAOYSA-N 1 2 220.263 0.895 20 0 BCADLO O=C1C[C@H]([NH2+]Cc2c[nH]cn2)CN1C1CC1 ZINC000165186564 640543183 /nfs/dbraw/zinc/54/31/83/640543183.db2.gz QVVRPUVKULREFD-QMMMGPOBSA-N 1 2 220.276 0.263 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1ncnn1C(C)C ZINC000932479079 640545928 /nfs/dbraw/zinc/54/59/28/640545928.db2.gz QSTWHYUFQXCHKG-UHFFFAOYSA-N 1 2 239.323 0.556 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1ncnn1C(C)C ZINC000932479079 640545935 /nfs/dbraw/zinc/54/59/35/640545935.db2.gz QSTWHYUFQXCHKG-UHFFFAOYSA-N 1 2 239.323 0.556 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030055581 640552102 /nfs/dbraw/zinc/55/21/02/640552102.db2.gz FQHKWDXSWYIFNC-SNVBAGLBSA-N 1 2 249.314 0.531 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)c1ccccc1 ZINC001030059025 640554151 /nfs/dbraw/zinc/55/41/51/640554151.db2.gz VRCJMCUJTZJFBD-UHFFFAOYSA-N 1 2 234.299 0.483 20 0 BCADLO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000932489743 640554695 /nfs/dbraw/zinc/55/46/95/640554695.db2.gz SDYHMIICIIJAHR-PSASIEDQSA-N 1 2 248.286 0.147 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1CCCCC1 ZINC001030064622 640568117 /nfs/dbraw/zinc/56/81/17/640568117.db2.gz FMDPKRGMWFEPRU-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CCn2cccc2C1 ZINC000932529504 640568739 /nfs/dbraw/zinc/56/87/39/640568739.db2.gz RDJAFZQGGCBTSO-SNVBAGLBSA-N 1 2 207.277 0.568 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CCn2cccc2C1 ZINC000932529504 640568747 /nfs/dbraw/zinc/56/87/47/640568747.db2.gz RDJAFZQGGCBTSO-SNVBAGLBSA-N 1 2 207.277 0.568 20 0 BCADLO O=C(CC1CCCC1)NC1C[NH+](CCO)C1 ZINC001030065568 640570750 /nfs/dbraw/zinc/57/07/50/640570750.db2.gz XVDJKVJEHKIPKJ-UHFFFAOYSA-N 1 2 226.320 0.359 20 0 BCADLO C[C@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603461 640583406 /nfs/dbraw/zinc/58/34/06/640583406.db2.gz VRSRIFADTWAWNV-VIFPVBQESA-N 1 2 221.304 0.957 20 0 BCADLO C[C@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603461 640583409 /nfs/dbraw/zinc/58/34/09/640583409.db2.gz VRSRIFADTWAWNV-VIFPVBQESA-N 1 2 221.304 0.957 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000932640902 640596112 /nfs/dbraw/zinc/59/61/12/640596112.db2.gz DEGCQOWUQIASCK-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000932640902 640596115 /nfs/dbraw/zinc/59/61/15/640596115.db2.gz DEGCQOWUQIASCK-QMMMGPOBSA-N 1 2 241.316 0.923 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030105353 640596252 /nfs/dbraw/zinc/59/62/52/640596252.db2.gz IWACISLPJQZMSS-MRVPVSSYSA-N 1 2 224.260 0.074 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932645803 640597046 /nfs/dbraw/zinc/59/70/46/640597046.db2.gz DSRMZOPNVVZZOD-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932645803 640597049 /nfs/dbraw/zinc/59/70/49/640597049.db2.gz DSRMZOPNVVZZOD-UWVGGRQHSA-N 1 2 243.303 0.823 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCCO)C2)cn1 ZINC001030108642 640597117 /nfs/dbraw/zinc/59/71/17/640597117.db2.gz KDOQMYHGGGQOEX-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO CC[C@@](C)(O)C(=O)NCCCCn1cc[nH+]c1 ZINC000932718274 640604437 /nfs/dbraw/zinc/60/44/37/640604437.db2.gz UTLWJQLYOLNDIP-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)(C)OC(=O)N1CC[N@H+](CCO)[C@H]2C[C@H]21 ZINC000932736064 640605693 /nfs/dbraw/zinc/60/56/93/640605693.db2.gz XGAQJWCMVWOCCR-VHSXEESVSA-N 1 2 242.319 0.672 20 0 BCADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCO)[C@H]2C[C@H]21 ZINC000932736064 640605695 /nfs/dbraw/zinc/60/56/95/640605695.db2.gz XGAQJWCMVWOCCR-VHSXEESVSA-N 1 2 242.319 0.672 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030130132 640622940 /nfs/dbraw/zinc/62/29/40/640622940.db2.gz LCFHVSXKNXBADE-MNOVXSKESA-N 1 2 244.310 0.571 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030131337 640624336 /nfs/dbraw/zinc/62/43/36/640624336.db2.gz QOSJRKHWEMFYGE-NXEZZACHSA-N 1 2 212.293 0.232 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000932974384 640657315 /nfs/dbraw/zinc/65/73/15/640657315.db2.gz IWJPQVBDTOKGCN-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000932974384 640657319 /nfs/dbraw/zinc/65/73/19/640657319.db2.gz IWJPQVBDTOKGCN-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CCc1ocnc1C(=O)NC1C[NH+](CC)C1 ZINC001030174177 640658220 /nfs/dbraw/zinc/65/82/20/640658220.db2.gz BOJNXHVLWSRQMZ-UHFFFAOYSA-N 1 2 223.276 0.671 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030178367 640664017 /nfs/dbraw/zinc/66/40/17/640664017.db2.gz YVCBHGBRGOPFPF-SECBINFHSA-N 1 2 224.304 0.134 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ncccc2C)C1 ZINC001030200629 640678402 /nfs/dbraw/zinc/67/84/02/640678402.db2.gz ZYZHHVLUZHSEMX-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1CC(F)(F)C1 ZINC001030200444 640678578 /nfs/dbraw/zinc/67/85/78/640678578.db2.gz CWUYYFDVOFRANW-UHFFFAOYSA-N 1 2 248.273 0.215 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933212672 640679408 /nfs/dbraw/zinc/67/94/08/640679408.db2.gz HZHKFPMEHNSGSN-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933212672 640679410 /nfs/dbraw/zinc/67/94/10/640679410.db2.gz HZHKFPMEHNSGSN-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1CC1CC1)N1CCC1 ZINC000933212836 640683072 /nfs/dbraw/zinc/68/30/72/640683072.db2.gz JCQCDTQUKRLTFB-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1CC1CC1)N1CCC1 ZINC000933212836 640683075 /nfs/dbraw/zinc/68/30/75/640683075.db2.gz JCQCDTQUKRLTFB-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO COC[C@H](C)[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030212103 640685376 /nfs/dbraw/zinc/68/53/76/640685376.db2.gz NGBJRJQVQIEOPV-JTQLQIEISA-N 1 2 238.331 0.932 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cncn1C ZINC000933226621 640685174 /nfs/dbraw/zinc/68/51/74/640685174.db2.gz MBCONCGINNKWSJ-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cncn1C ZINC000933226621 640685181 /nfs/dbraw/zinc/68/51/81/640685181.db2.gz MBCONCGINNKWSJ-NSHDSACASA-N 1 2 236.319 0.521 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1n[nH]cc1C ZINC000933234529 640687000 /nfs/dbraw/zinc/68/70/00/640687000.db2.gz OOLVKUJUFUVXKP-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1n[nH]cc1C ZINC000933234529 640687006 /nfs/dbraw/zinc/68/70/06/640687006.db2.gz OOLVKUJUFUVXKP-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@H](C)C(N)=O)C2 ZINC000933259395 640692809 /nfs/dbraw/zinc/69/28/09/640692809.db2.gz PBSIGRKXBIUWBW-MRVPVSSYSA-N 1 2 222.292 0.135 20 0 BCADLO Cc1nc(C(=O)NC2C[NH+](CCCF)C2)co1 ZINC001030245278 640704445 /nfs/dbraw/zinc/70/44/45/640704445.db2.gz WNHMZDLNLMWVEU-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO COC[C@H]1COCC[N@@H+]1CCC(C)=O ZINC000933326334 640704562 /nfs/dbraw/zinc/70/45/62/640704562.db2.gz AJZNWQPAPSXXIG-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO COC[C@H]1COCC[N@H+]1CCC(C)=O ZINC000933326334 640704564 /nfs/dbraw/zinc/70/45/64/640704564.db2.gz AJZNWQPAPSXXIG-JTQLQIEISA-N 1 2 201.266 0.313 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2coc(C)n2)C1 ZINC001030245432 640704747 /nfs/dbraw/zinc/70/47/47/640704747.db2.gz BGCVDYDHGLPKLH-UHFFFAOYSA-N 1 2 223.276 0.807 20 0 BCADLO CC(C)C[NH+]1CC(NC(=O)c2ncccc2O)C1 ZINC001030243651 640704842 /nfs/dbraw/zinc/70/48/42/640704842.db2.gz KLWJYSODKRLHTI-UHFFFAOYSA-N 1 2 249.314 0.857 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](C[C@H](C)O)C2)co1 ZINC001030250532 640708001 /nfs/dbraw/zinc/70/80/01/640708001.db2.gz MUPWKSDTVZLFMA-QMMMGPOBSA-N 1 2 238.287 0.383 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@@H]1C(F)F ZINC001030271020 640719969 /nfs/dbraw/zinc/71/99/69/640719969.db2.gz RROOGZKNSLZMTG-IUCAKERBSA-N 1 2 248.273 0.070 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC(C)(C)C2)C1 ZINC001030273331 640722358 /nfs/dbraw/zinc/72/23/58/640722358.db2.gz WUVLRYOIPCZOBZ-VIFPVBQESA-N 1 2 240.347 0.604 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC1(F)F ZINC001030282682 640728530 /nfs/dbraw/zinc/72/85/30/640728530.db2.gz CJANTDBSLWFTES-MRVPVSSYSA-N 1 2 236.237 0.802 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287271 640731647 /nfs/dbraw/zinc/73/16/47/640731647.db2.gz GSWBGPQANVWIRW-QMMMGPOBSA-N 1 2 240.282 0.572 20 0 BCADLO Cc1cnccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030284091 640731986 /nfs/dbraw/zinc/73/19/86/640731986.db2.gz HSCVKXFFQBRXKA-SNVBAGLBSA-N 1 2 249.314 0.185 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC[C@H](F)C1 ZINC001030298931 640739506 /nfs/dbraw/zinc/73/95/06/640739506.db2.gz RHQQAVCBRSLPKK-UWVGGRQHSA-N 1 2 244.310 0.307 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001030321665 640762853 /nfs/dbraw/zinc/76/28/53/640762853.db2.gz IKYMWTSCDAKJSU-UHFFFAOYSA-N 1 2 249.318 0.437 20 0 BCADLO CC[N@@H+](CCC(=O)NC)Cc1nc(C)no1 ZINC000933862796 640773752 /nfs/dbraw/zinc/77/37/52/640773752.db2.gz PLYCEHFVMVJGPH-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO CC[N@H+](CCC(=O)NC)Cc1nc(C)no1 ZINC000933862796 640773746 /nfs/dbraw/zinc/77/37/46/640773746.db2.gz PLYCEHFVMVJGPH-UHFFFAOYSA-N 1 2 226.280 0.336 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030355174 640785374 /nfs/dbraw/zinc/78/53/74/640785374.db2.gz WGVCLOADRLNRHX-SECBINFHSA-N 1 2 237.303 0.464 20 0 BCADLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)ncn1 ZINC000933990590 640799222 /nfs/dbraw/zinc/79/92/22/640799222.db2.gz MWWNQLUWZIBULS-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnn2C(F)F)C1 ZINC001030370441 640802789 /nfs/dbraw/zinc/80/27/89/640802789.db2.gz DXCWWQDZUNTKJX-UHFFFAOYSA-N 1 2 244.245 0.712 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001030382564 640809085 /nfs/dbraw/zinc/80/90/85/640809085.db2.gz JXDCANNPYUFXLV-UHFFFAOYSA-N 1 2 245.286 0.392 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H](CCO)C1CCCC1 ZINC000934011493 640809186 /nfs/dbraw/zinc/80/91/86/640809186.db2.gz MONLTZPRRVPUTQ-MNOVXSKESA-N 1 2 227.304 0.833 20 0 BCADLO CNc1cc(NC[C@]2(O)CCOC2)[nH+]cn1 ZINC000227198525 640820508 /nfs/dbraw/zinc/82/05/08/640820508.db2.gz JEGUOVAGESDULX-SNVBAGLBSA-N 1 2 224.264 0.082 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)NC(C)C)[nH+]cn1 ZINC000228051337 640857693 /nfs/dbraw/zinc/85/76/93/640857693.db2.gz GELXXDJDLBHVKU-QMMMGPOBSA-N 1 2 237.307 0.843 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000228051337 640857690 /nfs/dbraw/zinc/85/76/90/640857690.db2.gz GELXXDJDLBHVKU-QMMMGPOBSA-N 1 2 237.307 0.843 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)ncn2C)C1 ZINC001030479717 640874668 /nfs/dbraw/zinc/87/46/68/640874668.db2.gz UIZICYVVKXWCJG-UHFFFAOYSA-N 1 2 222.292 0.162 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001030576248 640923783 /nfs/dbraw/zinc/92/37/83/640923783.db2.gz JTPVKRMMSZYCFT-SECBINFHSA-N 1 2 244.310 0.450 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1cscn1 ZINC000229130187 640925857 /nfs/dbraw/zinc/92/58/57/640925857.db2.gz QXDAKUJWNDJUIO-RQJHMYQMSA-N 1 2 239.300 0.599 20 0 BCADLO CC1CC(C[NH+]2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC001030601552 640949905 /nfs/dbraw/zinc/94/99/05/640949905.db2.gz QANGSVHHGXPYLC-UHFFFAOYSA-N 1 2 249.318 0.265 20 0 BCADLO CC1CC(C[NH+]2CC(NC(=O)c3cnn[nH]3)C2)C1 ZINC001030601552 640949907 /nfs/dbraw/zinc/94/99/07/640949907.db2.gz QANGSVHHGXPYLC-UHFFFAOYSA-N 1 2 249.318 0.265 20 0 BCADLO CCOc1nc(C(=O)NC2C[NH+](CC)C2)co1 ZINC001030613623 640962643 /nfs/dbraw/zinc/96/26/43/640962643.db2.gz JSOMJNBBHBJALC-UHFFFAOYSA-N 1 2 239.275 0.507 20 0 BCADLO CCNC(=O)CNc1cc(NC)[nH+]cn1 ZINC000087812990 641052192 /nfs/dbraw/zinc/05/21/92/641052192.db2.gz QTNWZDKESIYDNR-UHFFFAOYSA-N 1 2 209.253 0.066 20 0 BCADLO CCNC(=O)CNc1cc(NC)nc[nH+]1 ZINC000087812990 641052195 /nfs/dbraw/zinc/05/21/95/641052195.db2.gz QTNWZDKESIYDNR-UHFFFAOYSA-N 1 2 209.253 0.066 20 0 BCADLO CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000087819261 641057037 /nfs/dbraw/zinc/05/70/37/641057037.db2.gz GMFZLYJIIPEHBA-SECBINFHSA-N 1 2 222.292 0.727 20 0 BCADLO CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000087819261 641057039 /nfs/dbraw/zinc/05/70/39/641057039.db2.gz GMFZLYJIIPEHBA-SECBINFHSA-N 1 2 222.292 0.727 20 0 BCADLO CNc1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000087825887 641059672 /nfs/dbraw/zinc/05/96/72/641059672.db2.gz QVSJKTKTZXRIOA-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO CNc1cc(NCc2cnn(C)c2)[nH+]cn1 ZINC000087825887 641059676 /nfs/dbraw/zinc/05/96/76/641059676.db2.gz QVSJKTKTZXRIOA-UHFFFAOYSA-N 1 2 218.264 0.864 20 0 BCADLO CNc1cc(N2CC[C@H](COC)C2)nc[nH+]1 ZINC000087831540 641062709 /nfs/dbraw/zinc/06/27/09/641062709.db2.gz JEOKVQOZBHHNCQ-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N2CC[C@H](COC)C2)[nH+]cn1 ZINC000087831540 641062711 /nfs/dbraw/zinc/06/27/11/641062711.db2.gz JEOKVQOZBHHNCQ-VIFPVBQESA-N 1 2 222.292 0.991 20 0 BCADLO CNc1cc(N(C)CC(C)(C)O)nc[nH+]1 ZINC000087838510 641065636 /nfs/dbraw/zinc/06/56/36/641065636.db2.gz BBRSBOJLOYKMRF-UHFFFAOYSA-N 1 2 210.281 0.725 20 0 BCADLO CNc1cc(N(C)CC(C)(C)O)[nH+]cn1 ZINC000087838510 641065640 /nfs/dbraw/zinc/06/56/40/641065640.db2.gz BBRSBOJLOYKMRF-UHFFFAOYSA-N 1 2 210.281 0.725 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1nnnn1C ZINC000934113855 641077791 /nfs/dbraw/zinc/07/77/91/641077791.db2.gz PLILLNUVBUXVMD-HRDYMLBCSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1nnnn1C ZINC000934113855 641077798 /nfs/dbraw/zinc/07/77/98/641077798.db2.gz PLILLNUVBUXVMD-HRDYMLBCSA-N 1 2 225.296 0.380 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)no1 ZINC000934113356 641078075 /nfs/dbraw/zinc/07/80/75/641078075.db2.gz NSBGLWYGRPZVQK-DTWKUNHWSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)no1 ZINC000934113356 641078082 /nfs/dbraw/zinc/07/80/82/641078082.db2.gz NSBGLWYGRPZVQK-DTWKUNHWSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@H+](C)CCS(=O)(=O)C(C)C ZINC000934117129 641079189 /nfs/dbraw/zinc/07/91/89/641079189.db2.gz ZHDYAFXUHMHQAD-QWRGUYRKSA-N 1 2 249.376 0.919 20 0 BCADLO CO[C@H]1CC[C@@H]1[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000934117129 641079192 /nfs/dbraw/zinc/07/91/92/641079192.db2.gz ZHDYAFXUHMHQAD-QWRGUYRKSA-N 1 2 249.376 0.919 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001030671345 641137731 /nfs/dbraw/zinc/13/77/31/641137731.db2.gz LTMPXFMLNBCZKR-UHFFFAOYSA-N 1 2 244.298 0.997 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934400936 641140152 /nfs/dbraw/zinc/14/01/52/641140152.db2.gz CEAHFPMHXWOQAB-SNVBAGLBSA-N 1 2 243.303 0.477 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000088001150 641146263 /nfs/dbraw/zinc/14/62/63/641146263.db2.gz OKQVRNQFRKJTQI-ZETCQYMHSA-N 1 2 209.205 0.976 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000932972564 641167529 /nfs/dbraw/zinc/16/75/29/641167529.db2.gz FCVBLQZMYPUYRD-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000932972564 641167536 /nfs/dbraw/zinc/16/75/36/641167536.db2.gz FCVBLQZMYPUYRD-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO Cc1nccn1CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934564143 641197466 /nfs/dbraw/zinc/19/74/66/641197466.db2.gz HCGMVQBEZIXBOP-GHMZBOCLSA-N 1 2 227.283 0.596 20 0 BCADLO Cc1nccn1CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934564143 641197472 /nfs/dbraw/zinc/19/74/72/641197472.db2.gz HCGMVQBEZIXBOP-GHMZBOCLSA-N 1 2 227.283 0.596 20 0 BCADLO O[C@@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1F ZINC000934572406 641205970 /nfs/dbraw/zinc/20/59/70/641205970.db2.gz LBCMQKSODIZSHS-JGVFFNPUSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1F ZINC000934572406 641205978 /nfs/dbraw/zinc/20/59/78/641205978.db2.gz LBCMQKSODIZSHS-JGVFFNPUSA-N 1 2 227.226 0.673 20 0 BCADLO O[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1F ZINC000934575429 641206636 /nfs/dbraw/zinc/20/66/36/641206636.db2.gz NJSFSBPJCDAHOX-QJPTWQEYSA-N 1 2 247.310 0.587 20 0 BCADLO O[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1F ZINC000934575429 641206641 /nfs/dbraw/zinc/20/66/41/641206641.db2.gz NJSFSBPJCDAHOX-QJPTWQEYSA-N 1 2 247.310 0.587 20 0 BCADLO COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC1CC1 ZINC000934713286 641253317 /nfs/dbraw/zinc/25/33/17/641253317.db2.gz ZPKVPBUEZHQGTO-GFCCVEGCSA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810591 641276103 /nfs/dbraw/zinc/27/61/03/641276103.db2.gz AMTSNHONDULEDL-RNKPRXRFSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000934810591 641276110 /nfs/dbraw/zinc/27/61/10/641276110.db2.gz AMTSNHONDULEDL-RNKPRXRFSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C=C(\C)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810590 641277812 /nfs/dbraw/zinc/27/78/12/641277812.db2.gz AMTSNHONDULEDL-PCYYEKQGSA-N 1 2 240.303 0.316 20 0 BCADLO COC(=O)/C=C(\C)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000934810590 641277816 /nfs/dbraw/zinc/27/78/16/641277816.db2.gz AMTSNHONDULEDL-PCYYEKQGSA-N 1 2 240.303 0.316 20 0 BCADLO CC(=O)NCCC[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934818099 641279116 /nfs/dbraw/zinc/27/91/16/641279116.db2.gz RDQNFDLROJZPHA-UHFFFAOYSA-N 1 2 244.335 0.832 20 0 BCADLO CCNC(=O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929442697 641318102 /nfs/dbraw/zinc/31/81/02/641318102.db2.gz ZTBONYRWSWRWHV-UHFFFAOYSA-N 1 2 246.270 0.429 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)N2C)c(C)c[nH+]1 ZINC000935018541 641319611 /nfs/dbraw/zinc/31/96/11/641319611.db2.gz XNOWPIOAWUSWCW-LLVKDONJSA-N 1 2 247.298 0.680 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C)nn(C)c2C)C1 ZINC001030761746 641338729 /nfs/dbraw/zinc/33/87/29/641338729.db2.gz AXQCIAZTJRHUKN-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO O=C(C[C@H]1CC=CCC1)NC1C[NH+](CCO)C1 ZINC001030796858 641357011 /nfs/dbraw/zinc/35/70/11/641357011.db2.gz HPNDHUILABCBNQ-NSHDSACASA-N 1 2 238.331 0.526 20 0 BCADLO CC1(C)CC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030814923 641366405 /nfs/dbraw/zinc/36/64/05/641366405.db2.gz FHESIWHAIKKDRS-LLVKDONJSA-N 1 2 240.347 0.605 20 0 BCADLO CCC[NH+]1CC(NC(=O)[C@]2(F)CCOC2)C1 ZINC001030840619 641377975 /nfs/dbraw/zinc/37/79/75/641377975.db2.gz LOPWXIRTTZWDTD-NSHDSACASA-N 1 2 230.283 0.325 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001030857209 641386763 /nfs/dbraw/zinc/38/67/63/641386763.db2.gz PWBSIQXVXRJUPA-UHFFFAOYSA-N 1 2 249.314 0.833 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1COCCO1 ZINC000929681638 641395160 /nfs/dbraw/zinc/39/51/60/641395160.db2.gz WAGVERGEVJUTRD-IDYSPNNHSA-N 1 2 247.360 0.243 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1COCCO1 ZINC000929681638 641395169 /nfs/dbraw/zinc/39/51/69/641395169.db2.gz WAGVERGEVJUTRD-IDYSPNNHSA-N 1 2 247.360 0.243 20 0 BCADLO Cc1cccc(CC(=O)NC2C[NH+](CCO)C2)c1 ZINC001030884128 641401370 /nfs/dbraw/zinc/40/13/70/641401370.db2.gz HDHUYSOQUHNNSB-UHFFFAOYSA-N 1 2 248.326 0.330 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929697061 641402943 /nfs/dbraw/zinc/40/29/43/641402943.db2.gz QGTDRQSDUKCIQD-DLOVCJGASA-N 1 2 238.287 0.910 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929697061 641402947 /nfs/dbraw/zinc/40/29/47/641402947.db2.gz QGTDRQSDUKCIQD-DLOVCJGASA-N 1 2 238.287 0.910 20 0 BCADLO C[N@@H+](Cc1ccon1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929697062 641403264 /nfs/dbraw/zinc/40/32/64/641403264.db2.gz QGTDRQSDUKCIQD-USWWRNFRSA-N 1 2 238.287 0.910 20 0 BCADLO C[N@H+](Cc1ccon1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929697062 641403268 /nfs/dbraw/zinc/40/32/68/641403268.db2.gz QGTDRQSDUKCIQD-USWWRNFRSA-N 1 2 238.287 0.910 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000929700697 641407338 /nfs/dbraw/zinc/40/73/38/641407338.db2.gz GPHKZJQVCBQHAY-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000929700697 641407340 /nfs/dbraw/zinc/40/73/40/641407340.db2.gz GPHKZJQVCBQHAY-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO COCC[NH+]1CC(NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001030898627 641408749 /nfs/dbraw/zinc/40/87/49/641408749.db2.gz VXLOZOOMPAKIIP-UWVGGRQHSA-N 1 2 226.320 0.479 20 0 BCADLO CC[C@H]1CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030912389 641417849 /nfs/dbraw/zinc/41/78/49/641417849.db2.gz ZVCYTKZMWGKMRT-JQWIXIFHSA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001030918839 641422393 /nfs/dbraw/zinc/42/23/93/641422393.db2.gz QDFUDXTVZCHPIE-MWLCHTKSSA-N 1 2 226.320 0.479 20 0 BCADLO O=C(NC12CC[NH+](CC1)C2)C(F)(F)C(F)F ZINC000913630996 641434540 /nfs/dbraw/zinc/43/45/40/641434540.db2.gz MJOYPEINZDYYCH-UHFFFAOYSA-N 1 2 240.200 0.851 20 0 BCADLO C[N@@H+]1CC[C@H](C(=O)N=S(C)(C)=O)C1 ZINC000913641346 641436560 /nfs/dbraw/zinc/43/65/60/641436560.db2.gz ROMVWZOJKQMCQZ-ZETCQYMHSA-N 1 2 204.295 0.192 20 0 BCADLO C[N@H+]1CC[C@H](C(=O)N=S(C)(C)=O)C1 ZINC000913641346 641436565 /nfs/dbraw/zinc/43/65/65/641436565.db2.gz ROMVWZOJKQMCQZ-ZETCQYMHSA-N 1 2 204.295 0.192 20 0 BCADLO CC1(C)CO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913796789 641479875 /nfs/dbraw/zinc/47/98/75/641479875.db2.gz MHSNZLPFQGHNSQ-JTQLQIEISA-N 1 2 237.303 0.884 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000564642210 641529810 /nfs/dbraw/zinc/52/98/10/641529810.db2.gz IXGOYFZENWWXLQ-SNVBAGLBSA-N 1 2 245.286 0.280 20 0 BCADLO CC[NH+]1CC(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001030971867 641540437 /nfs/dbraw/zinc/54/04/37/641540437.db2.gz ZESBVNGHHLBXME-UHFFFAOYSA-N 1 2 222.292 0.460 20 0 BCADLO C=Cc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001030995825 641573438 /nfs/dbraw/zinc/57/34/38/641573438.db2.gz WYZOPLOQBOCIAN-UHFFFAOYSA-N 1 2 246.310 0.736 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCn2nc(C)nc2C1 ZINC000929794595 641579747 /nfs/dbraw/zinc/57/97/47/641579747.db2.gz IYTSDFPPUVRXJQ-WMZJFQQLSA-N 1 2 236.319 0.995 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCn2nc(C)nc2C1 ZINC000929794595 641579750 /nfs/dbraw/zinc/57/97/50/641579750.db2.gz IYTSDFPPUVRXJQ-WMZJFQQLSA-N 1 2 236.319 0.995 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccnnc1 ZINC001031004450 641580661 /nfs/dbraw/zinc/58/06/61/641580661.db2.gz KXWDLGWNSDQXHN-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO CC[N@H+](CCC(C)=O)[C@H](C)CS(C)(=O)=O ZINC000155802375 641583631 /nfs/dbraw/zinc/58/36/31/641583631.db2.gz NZBDULGLHGTSRG-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO CC[N@@H+](CCC(C)=O)[C@H](C)CS(C)(=O)=O ZINC000155802375 641583637 /nfs/dbraw/zinc/58/36/37/641583637.db2.gz NZBDULGLHGTSRG-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC12CCC2 ZINC001031022573 641599652 /nfs/dbraw/zinc/59/96/52/641599652.db2.gz HWENFEJTQRTMQQ-NSHDSACASA-N 1 2 238.331 0.359 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031022385 641599828 /nfs/dbraw/zinc/59/98/28/641599828.db2.gz DIZVZPUPCQEBIF-MWLCHTKSSA-N 1 2 238.331 0.358 20 0 BCADLO CCC[NH2+][C@](C)(Cn1cccn1)C(=O)OC ZINC000045435108 641612299 /nfs/dbraw/zinc/61/22/99/641612299.db2.gz CKLMXDOQAAGPDZ-LLVKDONJSA-N 1 2 225.292 0.814 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001031039436 641622380 /nfs/dbraw/zinc/62/23/80/641622380.db2.gz CLNKVQSEILNXPZ-UHFFFAOYSA-N 1 2 248.330 0.582 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccns1 ZINC000914287833 641633301 /nfs/dbraw/zinc/63/33/01/641633301.db2.gz QHTWDHQBLWCVON-UHFFFAOYSA-N 1 2 236.300 0.768 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC[C@H]1CCOC1 ZINC000493860837 641643081 /nfs/dbraw/zinc/64/30/81/641643081.db2.gz WNAQFDCZZKZGHT-VWCDRPFISA-N 1 2 237.259 0.507 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc3cccnn32)C1 ZINC001031065887 641678491 /nfs/dbraw/zinc/67/84/91/641678491.db2.gz ZHYOVOMJLXHBTP-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnc3cccnn32)C1 ZINC001031063981 641678560 /nfs/dbraw/zinc/67/85/60/641678560.db2.gz KCASXRBLHRNJHE-UHFFFAOYSA-N 1 2 245.286 0.163 20 0 BCADLO CC[NH+]1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC001031079283 641685809 /nfs/dbraw/zinc/68/58/09/641685809.db2.gz MSXMDOBWPMUPLY-UHFFFAOYSA-N 1 2 208.265 0.152 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ncccn1 ZINC001031130347 641724357 /nfs/dbraw/zinc/72/43/57/641724357.db2.gz QQVMMUGQBZEKHG-UHFFFAOYSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(Cc1ccco1)NC1C[NH+](CCCO)C1 ZINC001031129000 641724453 /nfs/dbraw/zinc/72/44/53/641724453.db2.gz ZVAURBOUAYDSDW-UHFFFAOYSA-N 1 2 238.287 0.005 20 0 BCADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2ccco2)C1 ZINC001031127989 641725076 /nfs/dbraw/zinc/72/50/76/641725076.db2.gz AQFKDBPXTPVBOK-SECBINFHSA-N 1 2 238.287 0.003 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(C)c2)C1 ZINC001031129872 641725088 /nfs/dbraw/zinc/72/50/88/641725088.db2.gz ZLUZSVFUUGRNKU-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031147817 641736397 /nfs/dbraw/zinc/73/63/97/641736397.db2.gz ZGQNMRTUPWBBRV-ONGXEEELSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@H+](C)CCS(C)(=O)=O)O1 ZINC000188591198 641762149 /nfs/dbraw/zinc/76/21/49/641762149.db2.gz ZLMXUSPVAYUZCI-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1CC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)O1 ZINC000188591198 641762151 /nfs/dbraw/zinc/76/21/51/641762151.db2.gz ZLMXUSPVAYUZCI-ZJUUUORDSA-N 1 2 235.349 0.530 20 0 BCADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CC[C@H](C)O1 ZINC000188591273 641763236 /nfs/dbraw/zinc/76/32/36/641763236.db2.gz MFRVYAAXFJIAQH-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CC[C@H](C)O1 ZINC000188591273 641763237 /nfs/dbraw/zinc/76/32/37/641763237.db2.gz MFRVYAAXFJIAQH-WDEREUQCSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031176480 641774760 /nfs/dbraw/zinc/77/47/60/641774760.db2.gz AFDWTNBFSKQXOQ-YPMHNXCESA-N 1 2 240.347 0.461 20 0 BCADLO CO[C@@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000189073768 641783630 /nfs/dbraw/zinc/78/36/30/641783630.db2.gz YAEACIOYFUYYFE-SECBINFHSA-N 1 2 230.333 0.240 20 0 BCADLO CC(=O)CC[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000189435015 641806251 /nfs/dbraw/zinc/80/62/51/641806251.db2.gz WJOIEJOWPWJGLS-LLVKDONJSA-N 1 2 242.363 0.743 20 0 BCADLO CC(=O)CC[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000189435015 641806254 /nfs/dbraw/zinc/80/62/54/641806254.db2.gz WJOIEJOWPWJGLS-LLVKDONJSA-N 1 2 242.363 0.743 20 0 BCADLO COC(C[N@@H+]1CCNC(=O)[C@H]1CC(C)C)OC ZINC000189814751 641819189 /nfs/dbraw/zinc/81/91/89/641819189.db2.gz STXCSQBTDGKCIB-SNVBAGLBSA-N 1 2 244.335 0.452 20 0 BCADLO COC(C[N@H+]1CCNC(=O)[C@H]1CC(C)C)OC ZINC000189814751 641819194 /nfs/dbraw/zinc/81/91/94/641819194.db2.gz STXCSQBTDGKCIB-SNVBAGLBSA-N 1 2 244.335 0.452 20 0 BCADLO CCN(C(=O)C1CC1)C1C[NH+](CCOC)C1 ZINC000949547776 641842232 /nfs/dbraw/zinc/84/22/32/641842232.db2.gz GJUIBYNNAXABOI-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO CCC(=O)CCN1CC[NH+](CCOC)CC1 ZINC000190184563 641848446 /nfs/dbraw/zinc/84/84/46/641848446.db2.gz OXAHPYRGXPACTJ-UHFFFAOYSA-N 1 2 228.336 0.620 20 0 BCADLO COc1c(C)c[nH+]c(CN2C(=O)CNC2=O)c1C ZINC000915658812 641850574 /nfs/dbraw/zinc/85/05/74/641850574.db2.gz JEWRSNYKLJLXPE-UHFFFAOYSA-N 1 2 249.270 0.759 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)O[C@@H]1CCOC1 ZINC000915717042 641855207 /nfs/dbraw/zinc/85/52/07/641855207.db2.gz LTHHKWXQHJQNBT-SECBINFHSA-N 1 2 225.248 0.435 20 0 BCADLO CC[C@@H]([NH2+]CCc1ccnn1C)C(=O)OC ZINC000190591619 641873510 /nfs/dbraw/zinc/87/35/10/641873510.db2.gz UIDIKNYMOCAWCU-SNVBAGLBSA-N 1 2 225.292 0.504 20 0 BCADLO CNc1cc(N(C)Cc2cnn(C)c2)nc[nH+]1 ZINC000130435880 641874959 /nfs/dbraw/zinc/87/49/59/641874959.db2.gz DEBVBONCJCMXQD-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CNc1cc(N(C)Cc2cnn(C)c2)[nH+]cn1 ZINC000130435880 641874965 /nfs/dbraw/zinc/87/49/65/641874965.db2.gz DEBVBONCJCMXQD-UHFFFAOYSA-N 1 2 232.291 0.888 20 0 BCADLO CCN(C(=O)c1n[nH]cc1C)C1C[NH+](CC)C1 ZINC000950038219 641884177 /nfs/dbraw/zinc/88/41/77/641884177.db2.gz UZHDHGLMZFHEMA-UHFFFAOYSA-N 1 2 236.319 0.884 20 0 BCADLO CC(C)COC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190861540 641891815 /nfs/dbraw/zinc/89/18/15/641891815.db2.gz GQMQKTAHHJHFHD-QWRGUYRKSA-N 1 2 247.335 0.249 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190861540 641891818 /nfs/dbraw/zinc/89/18/18/641891818.db2.gz GQMQKTAHHJHFHD-QWRGUYRKSA-N 1 2 247.335 0.249 20 0 BCADLO CCN(C(=O)c1cc[nH]c1)C1C[NH+](CCO)C1 ZINC000950406604 641919273 /nfs/dbraw/zinc/91/92/73/641919273.db2.gz ZJOIKHUKUMGYJN-UHFFFAOYSA-N 1 2 237.303 0.153 20 0 BCADLO C[C@H]([NH2+]CC1OCCO1)c1nnnn1C1CC1 ZINC000191475155 641922135 /nfs/dbraw/zinc/92/21/35/641922135.db2.gz MZCGOIZEYNHIBR-ZETCQYMHSA-N 1 2 239.279 0.032 20 0 BCADLO CCc1onc(C)c1C(=O)NC1C[NH+](CC)C1 ZINC001031374345 642032471 /nfs/dbraw/zinc/03/24/71/642032471.db2.gz GDJVKXQHZCZZDE-UHFFFAOYSA-N 1 2 237.303 0.979 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccnc2N(C)C)C1 ZINC001031387626 642052743 /nfs/dbraw/zinc/05/27/43/642052743.db2.gz NKPSXRGRBXZWTH-UHFFFAOYSA-N 1 2 248.330 0.582 20 0 BCADLO CCn1cccc1C(=O)NC1C[NH+](CC)C1 ZINC001031394018 642062938 /nfs/dbraw/zinc/06/29/38/642062938.db2.gz MUKHGQWDRPQVDM-UHFFFAOYSA-N 1 2 221.304 0.942 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccnc(C)n2)C1 ZINC001031403336 642084806 /nfs/dbraw/zinc/08/48/06/642084806.db2.gz BVBRVAFLYXMCCS-UHFFFAOYSA-N 1 2 220.276 0.219 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2nonc2C)C1 ZINC001031480712 642200168 /nfs/dbraw/zinc/20/01/68/642200168.db2.gz BPVWTFFVSFNASD-UHFFFAOYSA-N 1 2 224.264 0.202 20 0 BCADLO CC(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031503054 642237200 /nfs/dbraw/zinc/23/72/00/642237200.db2.gz UEBDGODMVORYIF-UHFFFAOYSA-N 1 2 237.278 0.789 20 0 BCADLO Cn1nccc1C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031509338 642242031 /nfs/dbraw/zinc/24/20/31/642242031.db2.gz XZIPPUTZVCVFQT-UHFFFAOYSA-N 1 2 248.330 0.378 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccco1 ZINC001031517397 642252684 /nfs/dbraw/zinc/25/26/84/642252684.db2.gz JVCOOLUSAMMSCH-UHFFFAOYSA-N 1 2 226.251 0.911 20 0 BCADLO Cn1cc(C(=O)NCC2C[NH+](CCF)C2)cn1 ZINC001031539274 642285255 /nfs/dbraw/zinc/28/52/55/642285255.db2.gz CETNHGPMFAAYEX-UHFFFAOYSA-N 1 2 240.282 0.051 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000170739795 642290973 /nfs/dbraw/zinc/29/09/73/642290973.db2.gz HOBWUZVYLMJTMA-NSHDSACASA-N 1 2 246.376 0.201 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000170739795 642290979 /nfs/dbraw/zinc/29/09/79/642290979.db2.gz HOBWUZVYLMJTMA-NSHDSACASA-N 1 2 246.376 0.201 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCOC1 ZINC001031571744 642324801 /nfs/dbraw/zinc/32/48/01/642324801.db2.gz WUTSQBWTVXIOBH-SNVBAGLBSA-N 1 2 230.283 0.040 20 0 BCADLO Cc1ncc(C(=O)NCC2C[NH+](CCF)C2)[nH]1 ZINC001031582644 642333202 /nfs/dbraw/zinc/33/32/02/642333202.db2.gz QDAKRGWVHJGNPA-UHFFFAOYSA-N 1 2 240.282 0.349 20 0 BCADLO Cn1cnc(C(=O)NCC2C[NH+](CCF)C2)c1 ZINC001031615855 642388487 /nfs/dbraw/zinc/38/84/87/642388487.db2.gz WCGLYTRDUROVIA-UHFFFAOYSA-N 1 2 240.282 0.051 20 0 BCADLO CC(C)OC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919989125 642419063 /nfs/dbraw/zinc/41/90/63/642419063.db2.gz ISBNFSTZINMORB-WDEREUQCSA-N 1 2 243.351 0.755 20 0 BCADLO CC(C)OC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919989125 642419067 /nfs/dbraw/zinc/41/90/67/642419067.db2.gz ISBNFSTZINMORB-WDEREUQCSA-N 1 2 243.351 0.755 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC1OCCO1)C2 ZINC000933256547 642424073 /nfs/dbraw/zinc/42/40/73/642424073.db2.gz FSENSUHTQHYXEK-UHFFFAOYSA-N 1 2 237.303 0.634 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCO)[nH+]cn1 ZINC000891402018 642474595 /nfs/dbraw/zinc/47/45/95/642474595.db2.gz MWHCRMRVYLAUBE-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO CC[C@@H](CO)Nc1cc(NCCO)nc[nH+]1 ZINC000891402018 642474598 /nfs/dbraw/zinc/47/45/98/642474598.db2.gz MWHCRMRVYLAUBE-QMMMGPOBSA-N 1 2 226.280 0.064 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000308179184 642474614 /nfs/dbraw/zinc/47/46/14/642474614.db2.gz GJZXKYMHNZAECT-UHFFFAOYSA-N 1 2 242.710 0.698 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000308179184 642474621 /nfs/dbraw/zinc/47/46/21/642474621.db2.gz GJZXKYMHNZAECT-UHFFFAOYSA-N 1 2 242.710 0.698 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)[C@]12C[C@H]1COC2 ZINC001031687928 642579710 /nfs/dbraw/zinc/57/97/10/642579710.db2.gz RFNPFQOONLWMKS-JQWIXIFHSA-N 1 2 242.294 0.040 20 0 BCADLO COC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000921352564 642602961 /nfs/dbraw/zinc/60/29/61/642602961.db2.gz RGSVBIQEFGITKV-AOOOYVTPSA-N 1 2 223.276 0.424 20 0 BCADLO Cn1cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921412806 642612748 /nfs/dbraw/zinc/61/27/48/642612748.db2.gz WAIIKPNLYQGESK-VIFPVBQESA-N 1 2 243.332 0.008 20 0 BCADLO Cn1cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921412806 642612754 /nfs/dbraw/zinc/61/27/54/642612754.db2.gz WAIIKPNLYQGESK-VIFPVBQESA-N 1 2 243.332 0.008 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)C1(C)CC1 ZINC000921412955 642613656 /nfs/dbraw/zinc/61/36/56/642613656.db2.gz ZMGHNUQKQBCEGM-MRVPVSSYSA-N 1 2 218.322 0.162 20 0 BCADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)C1(C)CC1 ZINC000921412955 642613673 /nfs/dbraw/zinc/61/36/73/642613673.db2.gz ZMGHNUQKQBCEGM-MRVPVSSYSA-N 1 2 218.322 0.162 20 0 BCADLO CCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921433823 642624283 /nfs/dbraw/zinc/62/42/83/642624283.db2.gz VXMAFJUGTBNEIU-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CN(C(=O)[C@H]1CSC[NH2+]1)c1cn[nH]c1 ZINC000306413943 642743145 /nfs/dbraw/zinc/74/31/45/642743145.db2.gz UQFPTRIILRLSJD-SSDOTTSWSA-N 1 2 212.278 0.035 20 0 BCADLO CCc1noc(C[NH2+][C@@H]2CCN(C(C)=O)C2)n1 ZINC000965981901 642776882 /nfs/dbraw/zinc/77/68/82/642776882.db2.gz NEAOVPARJXQDRZ-SECBINFHSA-N 1 2 238.291 0.342 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000965976770 642777299 /nfs/dbraw/zinc/77/72/99/642777299.db2.gz LVCPRQAARGJYBI-MRVPVSSYSA-N 1 2 240.332 0.639 20 0 BCADLO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000965965293 642778545 /nfs/dbraw/zinc/77/85/45/642778545.db2.gz SENNUUWHASFSNM-MRVPVSSYSA-N 1 2 240.332 0.639 20 0 BCADLO Cn1c[nH+]cc1CNc1ncccc1CO ZINC000238530966 642818901 /nfs/dbraw/zinc/81/89/01/642818901.db2.gz UCTJJGVSMOXIJC-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccncc1 ZINC001009900470 642845868 /nfs/dbraw/zinc/84/58/68/642845868.db2.gz SNTZPTTZVWMBGA-NSHDSACASA-N 1 2 237.278 0.855 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccncc1 ZINC001009900470 642845870 /nfs/dbraw/zinc/84/58/70/642845870.db2.gz SNTZPTTZVWMBGA-NSHDSACASA-N 1 2 237.278 0.855 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)no1 ZINC001010072046 642848969 /nfs/dbraw/zinc/84/89/69/642848969.db2.gz AUPRGMRIAWMFRI-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)no1 ZINC001010072046 642848971 /nfs/dbraw/zinc/84/89/71/642848971.db2.gz AUPRGMRIAWMFRI-SECBINFHSA-N 1 2 241.266 0.757 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccn[nH]1 ZINC001010280976 642857351 /nfs/dbraw/zinc/85/73/51/642857351.db2.gz TWRHFXRIQSWBSY-MRVPVSSYSA-N 1 2 226.255 0.183 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccn[nH]1 ZINC001010280976 642857353 /nfs/dbraw/zinc/85/73/53/642857353.db2.gz TWRHFXRIQSWBSY-MRVPVSSYSA-N 1 2 226.255 0.183 20 0 BCADLO CCOCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181612931 642889827 /nfs/dbraw/zinc/88/98/27/642889827.db2.gz FRHRICLLWIVTOB-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001014520513 642890640 /nfs/dbraw/zinc/89/06/40/642890640.db2.gz FTZNCNDMRJNYAW-VIFPVBQESA-N 1 2 214.284 0.947 20 0 BCADLO CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001014520513 642890643 /nfs/dbraw/zinc/89/06/43/642890643.db2.gz FTZNCNDMRJNYAW-VIFPVBQESA-N 1 2 214.284 0.947 20 0 BCADLO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015134748 642894426 /nfs/dbraw/zinc/89/44/26/642894426.db2.gz AZCADVNQBBAOAN-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015134748 642894430 /nfs/dbraw/zinc/89/44/30/642894430.db2.gz AZCADVNQBBAOAN-SECBINFHSA-N 1 2 240.282 0.194 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cc(F)c[nH]1 ZINC001015313239 642898563 /nfs/dbraw/zinc/89/85/63/642898563.db2.gz KXXVUJZLHYVOEH-VIFPVBQESA-N 1 2 243.257 0.927 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cc(F)c[nH]1 ZINC001015313239 642898564 /nfs/dbraw/zinc/89/85/64/642898564.db2.gz KXXVUJZLHYVOEH-VIFPVBQESA-N 1 2 243.257 0.927 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@]1(F)CCOC1 ZINC001015612961 642912695 /nfs/dbraw/zinc/91/26/95/642912695.db2.gz UNOACZNALGUEHZ-GXSJLCMTSA-N 1 2 248.273 0.275 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@]1(F)CCOC1 ZINC001015612961 642912705 /nfs/dbraw/zinc/91/27/05/642912705.db2.gz UNOACZNALGUEHZ-GXSJLCMTSA-N 1 2 248.273 0.275 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ncccn1 ZINC001015888033 642939896 /nfs/dbraw/zinc/93/98/96/642939896.db2.gz UGWAWLHIVQGKRI-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ncccn1 ZINC001015888033 642939903 /nfs/dbraw/zinc/93/99/03/642939903.db2.gz UGWAWLHIVQGKRI-SECBINFHSA-N 1 2 238.266 0.250 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018382153 642988273 /nfs/dbraw/zinc/98/82/73/642988273.db2.gz GYVXTUWKYDAEEQ-QMMMGPOBSA-N 1 2 226.305 0.249 20 0 BCADLO C[C@H]1OCC[N@H+](CC2OCCO2)[C@H]1C ZINC000182471974 643025171 /nfs/dbraw/zinc/02/51/71/643025171.db2.gz JANBVYRZGYTDDW-DTWKUNHWSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@H]1OCC[N@@H+](CC2OCCO2)[C@H]1C ZINC000182471974 643025174 /nfs/dbraw/zinc/02/51/74/643025174.db2.gz JANBVYRZGYTDDW-DTWKUNHWSA-N 1 2 201.266 0.469 20 0 BCADLO CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001019904743 643046002 /nfs/dbraw/zinc/04/60/02/643046002.db2.gz CFNXMDKSJKSKBQ-BDODKLCJSA-N 1 2 238.291 0.696 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000070966854 643089208 /nfs/dbraw/zinc/08/92/08/643089208.db2.gz VMONTJKZOKNYCV-BBBLOLIVSA-N 1 2 215.293 0.953 20 0 BCADLO COCC[N@H+](C)CN1CCSC1=S ZINC000068960449 643163800 /nfs/dbraw/zinc/16/38/00/643163800.db2.gz ZRRUVBSBAQVQJB-UHFFFAOYSA-N 1 2 220.363 0.856 20 0 BCADLO COCC[N@@H+](C)CN1CCSC1=S ZINC000068960449 643163804 /nfs/dbraw/zinc/16/38/04/643163804.db2.gz ZRRUVBSBAQVQJB-UHFFFAOYSA-N 1 2 220.363 0.856 20 0 BCADLO COC(=O)C[N@H+](C)CC[C@H]1CCOC1=O ZINC000175759150 643170268 /nfs/dbraw/zinc/17/02/68/643170268.db2.gz IAFXQHNVWVBANA-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO COC(=O)C[N@@H+](C)CC[C@H]1CCOC1=O ZINC000175759150 643170274 /nfs/dbraw/zinc/17/02/74/643170274.db2.gz IAFXQHNVWVBANA-QMMMGPOBSA-N 1 2 215.249 0.044 20 0 BCADLO NC(=O)C1([NH2+]Cc2cccnc2Cl)CC1 ZINC000183832336 643172179 /nfs/dbraw/zinc/17/21/79/643172179.db2.gz ZTAJPXNGWGRKCL-UHFFFAOYSA-N 1 2 225.679 0.843 20 0 BCADLO CCOCCONC(=O)NCCn1cc[nH+]c1 ZINC000184602006 643222669 /nfs/dbraw/zinc/22/26/69/643222669.db2.gz KBIYNVPYZUFCQO-UHFFFAOYSA-N 1 2 242.279 0.150 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC(C)(C)O1 ZINC000184675418 643228874 /nfs/dbraw/zinc/22/88/74/643228874.db2.gz JSSJJYQQZBTABD-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC(C)(C)O1 ZINC000184675418 643228879 /nfs/dbraw/zinc/22/88/79/643228879.db2.gz JSSJJYQQZBTABD-JTQLQIEISA-N 1 2 249.376 0.920 20 0 BCADLO Cc1conc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032108059 643262194 /nfs/dbraw/zinc/26/21/94/643262194.db2.gz JLNCTXLJWZZISV-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO C[C@H](O)C(=O)NNc1cc[nH+]cc1Cl ZINC000185258105 643280243 /nfs/dbraw/zinc/28/02/43/643280243.db2.gz LIFCGZSIBCTXMW-YFKPBYRVSA-N 1 2 215.640 0.559 20 0 BCADLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cnn(C)n1 ZINC000806168628 643307170 /nfs/dbraw/zinc/30/71/70/643307170.db2.gz VDRCRWAWTBRZPG-NSHDSACASA-N 1 2 246.318 0.716 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C)on2)C1 ZINC000072826656 643310268 /nfs/dbraw/zinc/31/02/68/643310268.db2.gz WTNRFBWVPOSAMP-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(C)on2)C1 ZINC000072826656 643310272 /nfs/dbraw/zinc/31/02/72/643310272.db2.gz WTNRFBWVPOSAMP-SECBINFHSA-N 1 2 239.275 0.642 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032236122 643378584 /nfs/dbraw/zinc/37/85/84/643378584.db2.gz WWHZSDJQCZXIIW-QWRGUYRKSA-N 1 2 234.303 0.225 20 0 BCADLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236883 643384288 /nfs/dbraw/zinc/38/42/88/643384288.db2.gz LFHOEGOIYKFPED-VWYCJHECSA-N 1 2 244.310 0.666 20 0 BCADLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236883 643384293 /nfs/dbraw/zinc/38/42/93/643384293.db2.gz LFHOEGOIYKFPED-VWYCJHECSA-N 1 2 244.310 0.666 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CCOC1 ZINC001015903915 643418132 /nfs/dbraw/zinc/41/81/32/643418132.db2.gz ACWXKLBQCXCDKP-ZYHUDNBSSA-N 1 2 244.310 0.573 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC001015903915 643418137 /nfs/dbraw/zinc/41/81/37/643418137.db2.gz ACWXKLBQCXCDKP-ZYHUDNBSSA-N 1 2 244.310 0.573 20 0 BCADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC001032296631 643466872 /nfs/dbraw/zinc/46/68/72/643466872.db2.gz ZIBDACZPEZJVCX-YUMQZZPRSA-N 1 2 238.316 0.457 20 0 BCADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC001032296631 643466876 /nfs/dbraw/zinc/46/68/76/643466876.db2.gz ZIBDACZPEZJVCX-YUMQZZPRSA-N 1 2 238.316 0.457 20 0 BCADLO O=C(C1=COCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000733984926 643485695 /nfs/dbraw/zinc/48/56/95/643485695.db2.gz BPHJAJYVRHSUOQ-UHFFFAOYSA-N 1 2 233.271 0.961 20 0 BCADLO CO[C@@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983467 643486256 /nfs/dbraw/zinc/48/62/56/643486256.db2.gz MMNJKZYGNYCVKF-VIFPVBQESA-N 1 2 223.276 0.691 20 0 BCADLO CS(=O)(=O)CCSCc1ccc[nH+]c1N ZINC000082514703 643512705 /nfs/dbraw/zinc/51/27/05/643512705.db2.gz PXJCNKJCGQVASW-UHFFFAOYSA-N 1 2 246.357 0.942 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735050193 643519939 /nfs/dbraw/zinc/51/99/39/643519939.db2.gz OXXSUPYALSYNBE-MGPLVRAMSA-N 1 2 246.376 0.356 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735050193 643519944 /nfs/dbraw/zinc/51/99/44/643519944.db2.gz OXXSUPYALSYNBE-MGPLVRAMSA-N 1 2 246.376 0.356 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNc2nccs2)C1 ZINC000082669150 643520699 /nfs/dbraw/zinc/52/06/99/643520699.db2.gz HLAVBEHNADLQNZ-SECBINFHSA-N 1 2 226.349 0.801 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNc2nccs2)C1 ZINC000082669150 643520705 /nfs/dbraw/zinc/52/07/05/643520705.db2.gz HLAVBEHNADLQNZ-SECBINFHSA-N 1 2 226.349 0.801 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H]1C(N)=O ZINC000084002255 643639962 /nfs/dbraw/zinc/63/99/62/643639962.db2.gz ZOKHLVDUXPZAFA-QRJSTWQJSA-N 1 2 226.276 0.055 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H]1C(N)=O ZINC000084002255 643639963 /nfs/dbraw/zinc/63/99/63/643639963.db2.gz ZOKHLVDUXPZAFA-QRJSTWQJSA-N 1 2 226.276 0.055 20 0 BCADLO CCOC(=O)[C@@H](C)NCc1c[nH+]cn1CC ZINC000085183769 643688960 /nfs/dbraw/zinc/68/89/60/643688960.db2.gz XAWJQHRLEAKIDL-SECBINFHSA-N 1 2 225.292 0.944 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1C[C@H]2C[C@@]2(O)C1 ZINC000921906905 643823254 /nfs/dbraw/zinc/82/32/54/643823254.db2.gz YBGDHNINQJVZEP-BXKDBHETSA-N 1 2 233.271 0.087 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ncc(C)o1 ZINC000922182495 643895361 /nfs/dbraw/zinc/89/53/61/643895361.db2.gz KDCWDXIRPLKIRJ-NXEZZACHSA-N 1 2 228.292 0.595 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC=C[C@H]1CO ZINC000922268107 643936289 /nfs/dbraw/zinc/93/62/89/643936289.db2.gz LJVSZKULYVLHCU-MNOVXSKESA-N 1 2 247.298 0.205 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC=C[C@H]1CO ZINC000922268108 643936514 /nfs/dbraw/zinc/93/65/14/643936514.db2.gz LJVSZKULYVLHCU-QWRGUYRKSA-N 1 2 247.298 0.205 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1CC=C[C@H]1CO ZINC000922269759 643937747 /nfs/dbraw/zinc/93/77/47/643937747.db2.gz RXFOVAYOFOYRDN-NSHDSACASA-N 1 2 235.287 0.423 20 0 BCADLO CCn1ncc(C[NH2+]CC2OCCCO2)n1 ZINC000922277649 643944044 /nfs/dbraw/zinc/94/40/44/643944044.db2.gz CKDZRTROENSQQM-UHFFFAOYSA-N 1 2 226.280 0.151 20 0 BCADLO COCc1cc(C[NH2+][C@H](C)C(OC)OC)no1 ZINC000922313677 643967137 /nfs/dbraw/zinc/96/71/37/643967137.db2.gz UBQFYRAKSAUZHS-MRVPVSSYSA-N 1 2 244.291 0.918 20 0 BCADLO COC(OC)[C@@H](C)[NH2+]Cc1ncnn1C(C)C ZINC000922314392 643967386 /nfs/dbraw/zinc/96/73/86/643967386.db2.gz XYYCCNVBGBDDLB-SECBINFHSA-N 1 2 242.323 0.956 20 0 BCADLO CO[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922373422 643981368 /nfs/dbraw/zinc/98/13/68/643981368.db2.gz JIDUAIKXRQZMHG-ZETCQYMHSA-N 1 2 210.233 0.742 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000922379802 643983591 /nfs/dbraw/zinc/98/35/91/643983591.db2.gz LPXLKGCWRBBZOE-UHFFFAOYSA-N 1 2 238.291 0.327 20 0 BCADLO COCCC(=O)OCc1ccc[nH+]c1N ZINC000922408998 643988663 /nfs/dbraw/zinc/98/86/63/643988663.db2.gz HYQDPGXXUYMNHD-UHFFFAOYSA-N 1 2 210.233 0.744 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H](O)C1CC1 ZINC000922426537 643992360 /nfs/dbraw/zinc/99/23/60/643992360.db2.gz BRMAQBOMCVXYLV-SECBINFHSA-N 1 2 222.244 0.478 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000922515791 644005629 /nfs/dbraw/zinc/00/56/29/644005629.db2.gz JFJZLWIUTSGPSP-SCZZXKLOSA-N 1 2 238.291 0.254 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNCc1cc2n(n1)CCC2 ZINC000922575652 644029395 /nfs/dbraw/zinc/02/93/95/644029395.db2.gz CVOLXTCKPCVUDK-GFCCVEGCSA-N 1 2 220.320 0.623 20 0 BCADLO C[N@H+]1CC[C@@H]1CNCc1cc2n(n1)CCC2 ZINC000922575652 644029400 /nfs/dbraw/zinc/02/94/00/644029400.db2.gz CVOLXTCKPCVUDK-GFCCVEGCSA-N 1 2 220.320 0.623 20 0 BCADLO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccn[nH]1 ZINC000922588873 644037937 /nfs/dbraw/zinc/03/79/37/644037937.db2.gz DBFOHOYDFJXQPE-NSHDSACASA-N 1 2 238.335 0.610 20 0 BCADLO Cn1ccc(CC(=O)OCc2ccc[nH+]c2N)n1 ZINC000922599580 644039815 /nfs/dbraw/zinc/03/98/15/644039815.db2.gz NBNKMFJNQSAMLM-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO CN1CC[C@@H](C(=O)OCc2ccc[nH+]c2N)C1=O ZINC000922620938 644042747 /nfs/dbraw/zinc/04/27/47/644042747.db2.gz GLZGHBFABCUFSO-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO CN1CC[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1=O ZINC000922622271 644043465 /nfs/dbraw/zinc/04/34/65/644043465.db2.gz QOAVOEXCEUUTGX-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000922808323 644100518 /nfs/dbraw/zinc/10/05/18/644100518.db2.gz XOAXSRGQQQXBMJ-UHFFFAOYSA-N 1 2 235.247 0.333 20 0 BCADLO Nc1[nH+]cccc1COC(=O)COCC(F)F ZINC000922890544 644135559 /nfs/dbraw/zinc/13/55/59/644135559.db2.gz OEVONCBOLYMNOH-UHFFFAOYSA-N 1 2 246.213 0.989 20 0 BCADLO CON1CC[C@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000929327196 644140466 /nfs/dbraw/zinc/14/04/66/644140466.db2.gz DQBVZGKTRDMNBD-JTQLQIEISA-N 1 2 224.260 0.874 20 0 BCADLO CON1CC[C@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000929327196 644140468 /nfs/dbraw/zinc/14/04/68/644140468.db2.gz DQBVZGKTRDMNBD-JTQLQIEISA-N 1 2 224.260 0.874 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922939654 644193237 /nfs/dbraw/zinc/19/32/37/644193237.db2.gz RQCFULHKGLJIDP-NSHDSACASA-N 1 2 225.292 0.613 20 0 BCADLO O[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCOCC2 ZINC000923019591 644233684 /nfs/dbraw/zinc/23/36/84/644233684.db2.gz KDNWYJPXGPRTSV-QWRGUYRKSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccon1 ZINC000083020129 644398915 /nfs/dbraw/zinc/39/89/15/644398915.db2.gz UJUCKBWMNVTWOI-SECBINFHSA-N 1 2 249.274 0.759 20 0 BCADLO COCC[NH+](CCOC)CN1CCOC1=S ZINC000083104574 644400556 /nfs/dbraw/zinc/40/05/56/644400556.db2.gz WYCPLVFJQGJXMU-UHFFFAOYSA-N 1 2 248.348 0.156 20 0 BCADLO C[N@H+](CCS(N)(=O)=O)Cc1ccsc1 ZINC000740873666 644558986 /nfs/dbraw/zinc/55/89/86/644558986.db2.gz SRMWBWKLDVPLLY-UHFFFAOYSA-N 1 2 234.346 0.468 20 0 BCADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccsc1 ZINC000740873666 644558991 /nfs/dbraw/zinc/55/89/91/644558991.db2.gz SRMWBWKLDVPLLY-UHFFFAOYSA-N 1 2 234.346 0.468 20 0 BCADLO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017282799 644617146 /nfs/dbraw/zinc/61/71/46/644617146.db2.gz FYOJBZZCCUNUEV-DTORHVGOSA-N 1 2 248.273 0.573 20 0 BCADLO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017282799 644617150 /nfs/dbraw/zinc/61/71/50/644617150.db2.gz FYOJBZZCCUNUEV-DTORHVGOSA-N 1 2 248.273 0.573 20 0 BCADLO CCN(C(=O)c1ccncn1)C1C[NH+](CC)C1 ZINC000956977451 644675102 /nfs/dbraw/zinc/67/51/02/644675102.db2.gz OTBYAHIVURGVMM-UHFFFAOYSA-N 1 2 234.303 0.643 20 0 BCADLO COCCO[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000249406538 644721176 /nfs/dbraw/zinc/72/11/76/644721176.db2.gz UOYCZIGSESXGTF-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO COCCO[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000249406538 644721182 /nfs/dbraw/zinc/72/11/82/644721182.db2.gz UOYCZIGSESXGTF-UWVGGRQHSA-N 1 2 229.276 0.039 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC000957995423 644768251 /nfs/dbraw/zinc/76/82/51/644768251.db2.gz DVOARYWQZHYCSR-MYJAWHEDSA-N 1 2 238.316 0.104 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC000957995423 644768254 /nfs/dbraw/zinc/76/82/54/644768254.db2.gz DVOARYWQZHYCSR-MYJAWHEDSA-N 1 2 238.316 0.104 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC000957995677 644768595 /nfs/dbraw/zinc/76/85/95/644768595.db2.gz HISRKEGYCRHOFZ-OHBODLIOSA-N 1 2 246.314 0.604 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC000957995677 644768597 /nfs/dbraw/zinc/76/85/97/644768597.db2.gz HISRKEGYCRHOFZ-OHBODLIOSA-N 1 2 246.314 0.604 20 0 BCADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000304345584 644895630 /nfs/dbraw/zinc/89/56/30/644895630.db2.gz UKTYYGCKULGBJK-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)OC)C[C@H](CC)O1 ZINC000817281045 644969699 /nfs/dbraw/zinc/96/96/99/644969699.db2.gz QJCMYCOUZDMKAC-PHIMTYICSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)OC)C[C@H](CC)O1 ZINC000817281045 644969702 /nfs/dbraw/zinc/96/97/02/644969702.db2.gz QJCMYCOUZDMKAC-PHIMTYICSA-N 1 2 244.335 0.896 20 0 BCADLO COCC[C@H]1COCC[N@H+]1CC[S@](C)=O ZINC000828560833 645105674 /nfs/dbraw/zinc/10/56/74/645105674.db2.gz QTGBWPZZOUZGQY-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000828560833 645105669 /nfs/dbraw/zinc/10/56/69/645105669.db2.gz QTGBWPZZOUZGQY-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO O=C1NC(=O)[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]12 ZINC000831737304 645130865 /nfs/dbraw/zinc/13/08/65/645130865.db2.gz BKCZKLDIQGSTDS-WHVBEXDMSA-N 1 2 249.097 0.510 20 0 BCADLO O=C1NC(=O)[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]12 ZINC000831737304 645130870 /nfs/dbraw/zinc/13/08/70/645130870.db2.gz BKCZKLDIQGSTDS-WHVBEXDMSA-N 1 2 249.097 0.510 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC1(F)F ZINC000835268043 645166559 /nfs/dbraw/zinc/16/65/59/645166559.db2.gz XKWSFLJYQIWNDL-DTWKUNHWSA-N 1 2 249.257 0.906 20 0 BCADLO CCN1C[C@H]([NH2+][C@@H](C)c2nonc2C)CC1=O ZINC000926529862 645257738 /nfs/dbraw/zinc/25/77/38/645257738.db2.gz YVWQYLHSVGJMFI-IONNQARKSA-N 1 2 238.291 0.649 20 0 BCADLO COCC(COC)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926530332 645257890 /nfs/dbraw/zinc/25/78/90/645257890.db2.gz MDHUXOJXFPOXCS-QMMMGPOBSA-N 1 2 228.296 0.127 20 0 BCADLO COCC(COC)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926530331 645258722 /nfs/dbraw/zinc/25/87/22/645258722.db2.gz MDHUXOJXFPOXCS-MRVPVSSYSA-N 1 2 228.296 0.127 20 0 BCADLO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ncc[nH]1 ZINC000926587438 645301883 /nfs/dbraw/zinc/30/18/83/645301883.db2.gz JULMARYTSWQKGL-MRVPVSSYSA-N 1 2 243.332 0.638 20 0 BCADLO COC(=O)CC1([NH2+]Cc2nonc2C)CC1 ZINC000844384904 645324327 /nfs/dbraw/zinc/32/43/27/645324327.db2.gz GJVWQITWABIAAJ-UHFFFAOYSA-N 1 2 225.248 0.563 20 0 BCADLO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCNC2=O)nn1 ZINC000926671547 645348383 /nfs/dbraw/zinc/34/83/83/645348383.db2.gz IWDOGQISLPLJBE-IUCAKERBSA-N 1 2 237.307 0.398 20 0 BCADLO COCc1nnc(C[NH2+][C@H](C)C(C)(C)CO)[nH]1 ZINC000926694104 645362501 /nfs/dbraw/zinc/36/25/01/645362501.db2.gz PMOQCECBRBYJFZ-MRVPVSSYSA-N 1 2 242.323 0.448 20 0 BCADLO CC[C@H]1COC[C@@H]1[NH2+]Cc1nc(COC)n[nH]1 ZINC000926693157 645363661 /nfs/dbraw/zinc/36/36/61/645363661.db2.gz JOZDFXPSCYKKEF-IUCAKERBSA-N 1 2 240.307 0.466 20 0 BCADLO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ncco1 ZINC000926767246 645414139 /nfs/dbraw/zinc/41/41/39/645414139.db2.gz LVFKXDFJMSABKU-VHSXEESVSA-N 1 2 225.292 0.392 20 0 BCADLO CC(C)n1cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000926779005 645426358 /nfs/dbraw/zinc/42/63/58/645426358.db2.gz OBDBAWITQJMGPN-GDPRMGEGSA-N 1 2 240.307 0.269 20 0 BCADLO Cn1cnnc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000848925348 645444524 /nfs/dbraw/zinc/44/45/24/645444524.db2.gz UDBKNVJRSSXUJQ-UHFFFAOYSA-N 1 2 247.302 0.730 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C ZINC000852203336 645473680 /nfs/dbraw/zinc/47/36/80/645473680.db2.gz ZNQGXUZLDGSZRR-VXNVDRBHSA-N 1 2 225.248 0.311 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C ZINC000852203336 645473684 /nfs/dbraw/zinc/47/36/84/645473684.db2.gz ZNQGXUZLDGSZRR-VXNVDRBHSA-N 1 2 225.248 0.311 20 0 BCADLO CCn1nc(C)c([C@H](C)NC[C@H]2CC[N@@H+]2C)n1 ZINC000926888180 645473890 /nfs/dbraw/zinc/47/38/90/645473890.db2.gz FQKYIVOQZGLIAW-GXSJLCMTSA-N 1 2 237.351 0.961 20 0 BCADLO CCn1nc(C)c([C@H](C)NC[C@H]2CC[N@H+]2C)n1 ZINC000926888180 645473898 /nfs/dbraw/zinc/47/38/98/645473898.db2.gz FQKYIVOQZGLIAW-GXSJLCMTSA-N 1 2 237.351 0.961 20 0 BCADLO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C)c2ncnn21 ZINC000926887894 645474751 /nfs/dbraw/zinc/47/47/51/645474751.db2.gz FEZGHWXKVRGITL-BBBLOLIVSA-N 1 2 221.308 0.578 20 0 BCADLO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C)c2ncnn21 ZINC000926887894 645474745 /nfs/dbraw/zinc/47/47/45/645474745.db2.gz FEZGHWXKVRGITL-BBBLOLIVSA-N 1 2 221.308 0.578 20 0 BCADLO O=C(CO)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927088310 645545502 /nfs/dbraw/zinc/54/55/02/645545502.db2.gz YVMBFQLBLIAPDA-UHFFFAOYSA-N 1 2 235.287 0.477 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(O)CCC1 ZINC000857438188 645559569 /nfs/dbraw/zinc/55/95/69/645559569.db2.gz RYGTVDWVLQTPJC-JTQLQIEISA-N 1 2 237.303 0.693 20 0 BCADLO CCC[C@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000857507605 645581643 /nfs/dbraw/zinc/58/16/43/645581643.db2.gz SNPMJPIXDCHFRS-JTQLQIEISA-N 1 2 225.292 0.851 20 0 BCADLO Cc1ccn(CC(=O)NCc2c[nH+]cn2C)n1 ZINC000857507555 645583260 /nfs/dbraw/zinc/58/32/60/645583260.db2.gz QXHVRFGLEFULDZ-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)C(C)(F)F)c1 ZINC000857535332 645602093 /nfs/dbraw/zinc/60/20/93/645602093.db2.gz KQVLHZVFTVIIRC-UHFFFAOYSA-N 1 2 217.219 0.734 20 0 BCADLO CCn1[nH]c(C)nc1=NC(=O)CCn1cc[nH+]c1 ZINC000857550106 645611810 /nfs/dbraw/zinc/61/18/10/645611810.db2.gz LFEDEKZDOVRRIU-UHFFFAOYSA-N 1 2 248.290 0.254 20 0 BCADLO CC[C@@H](OC)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777576 645653477 /nfs/dbraw/zinc/65/34/77/645653477.db2.gz XDOGMLOCPARZNU-SECBINFHSA-N 1 2 223.276 0.705 20 0 BCADLO Nc1ccc(CNC(=O)COC(F)(F)F)c[nH+]1 ZINC000927778040 645654631 /nfs/dbraw/zinc/65/46/31/645654631.db2.gz RBJVVKRIXQQGHS-UHFFFAOYSA-N 1 2 249.192 0.816 20 0 BCADLO Nc1ccc(CNC(=O)COCC(F)F)c[nH+]1 ZINC000927778547 645656429 /nfs/dbraw/zinc/65/64/29/645656429.db2.gz WLBKVEMCKXKFHF-UHFFFAOYSA-N 1 2 245.229 0.562 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859215445 645678598 /nfs/dbraw/zinc/67/85/98/645678598.db2.gz HCVCRIHNLIODSO-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccnc(F)c1 ZINC000859215445 645678599 /nfs/dbraw/zinc/67/85/99/645678599.db2.gz HCVCRIHNLIODSO-VIFPVBQESA-N 1 2 237.278 0.931 20 0 BCADLO C[C@@]1(C2CC2)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000864069743 645712249 /nfs/dbraw/zinc/71/22/49/645712249.db2.gz HHLJURCAKFBGDK-ZDUSSCGKSA-N 1 2 249.314 0.980 20 0 BCADLO CO[C@H]1CCCN(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000928425381 645741452 /nfs/dbraw/zinc/74/14/52/645741452.db2.gz CGTLOOSREBTQAQ-JTQLQIEISA-N 1 2 238.291 0.094 20 0 BCADLO COC[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869439565 645742864 /nfs/dbraw/zinc/74/28/64/645742864.db2.gz PTICLFXCFFMMAK-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930286716 645752970 /nfs/dbraw/zinc/75/29/70/645752970.db2.gz AAFXKDPFYNNKLQ-CHWFTXMASA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930286716 645752980 /nfs/dbraw/zinc/75/29/80/645752980.db2.gz AAFXKDPFYNNKLQ-CHWFTXMASA-N 1 2 243.303 0.284 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)[C@@H](C)C1 ZINC000946945349 645829065 /nfs/dbraw/zinc/82/90/65/645829065.db2.gz AJCXPDYRLVITOP-WCBMZHEXSA-N 1 2 238.291 0.559 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)[C@@H](C)C1 ZINC000946945349 645829069 /nfs/dbraw/zinc/82/90/69/645829069.db2.gz AJCXPDYRLVITOP-WCBMZHEXSA-N 1 2 238.291 0.559 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)[C@H](C)C1 ZINC000946945347 645829207 /nfs/dbraw/zinc/82/92/07/645829207.db2.gz AJCXPDYRLVITOP-PSASIEDQSA-N 1 2 238.291 0.559 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)[C@H](C)C1 ZINC000946945347 645829209 /nfs/dbraw/zinc/82/92/09/645829209.db2.gz AJCXPDYRLVITOP-PSASIEDQSA-N 1 2 238.291 0.559 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CC[N@H+]2C)c(C)c1C=O ZINC000928577129 645836919 /nfs/dbraw/zinc/83/69/19/645836919.db2.gz GFNPTPNYVVTRHP-SNVBAGLBSA-N 1 2 249.314 0.878 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C)c(C)c1C=O ZINC000928577129 645836920 /nfs/dbraw/zinc/83/69/20/645836920.db2.gz GFNPTPNYVVTRHP-SNVBAGLBSA-N 1 2 249.314 0.878 20 0 BCADLO COC(C)(C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000928600241 645843751 /nfs/dbraw/zinc/84/37/51/645843751.db2.gz TZWYBOIQOFOCOY-VIFPVBQESA-N 1 2 239.319 0.892 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC[C@H]1C ZINC000928908874 645889614 /nfs/dbraw/zinc/88/96/14/645889614.db2.gz JDZAWQFGECKPPH-XCBNKYQSSA-N 1 2 223.276 0.412 20 0 BCADLO C[NH+]1CCN(C(=O)C2(n3cccn3)CC2)CC1 ZINC000929100471 645939642 /nfs/dbraw/zinc/93/96/42/645939642.db2.gz LVZGDHSXRTUFHY-UHFFFAOYSA-N 1 2 234.303 0.146 20 0 BCADLO CC[N@H+](Cc1cc(C)nnc1C)[C@@H]1CCNC1=O ZINC000930322204 645952210 /nfs/dbraw/zinc/95/22/10/645952210.db2.gz AAGWUUNUMSWZBD-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO CC[N@@H+](Cc1cc(C)nnc1C)[C@@H]1CCNC1=O ZINC000930322204 645952214 /nfs/dbraw/zinc/95/22/14/645952214.db2.gz AAGWUUNUMSWZBD-GFCCVEGCSA-N 1 2 248.330 0.804 20 0 BCADLO CC1(C)CNC(=O)C[N@@H+]1CCO[C@@H]1CCOC1 ZINC000930337457 645953301 /nfs/dbraw/zinc/95/33/01/645953301.db2.gz BLDNDEJOZYNYCP-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CC1(C)CNC(=O)C[N@H+]1CCO[C@@H]1CCOC1 ZINC000930337457 645953309 /nfs/dbraw/zinc/95/33/09/645953309.db2.gz BLDNDEJOZYNYCP-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO c1cn(CCc2nc(Cc3cn[nH]c3)no2)c[nH+]1 ZINC000924134929 645992140 /nfs/dbraw/zinc/99/21/40/645992140.db2.gz PSALGFKVRJEICW-UHFFFAOYSA-N 1 2 244.258 0.823 20 0 BCADLO C[NH+](C)C1(c2nc(Cc3cn[nH]c3)no2)CC1 ZINC000924138517 645996953 /nfs/dbraw/zinc/99/69/53/645996953.db2.gz DYMQMMHUAQSWEB-UHFFFAOYSA-N 1 2 233.275 0.934 20 0 BCADLO COC/C(C)=C\C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000929204031 646003932 /nfs/dbraw/zinc/00/39/32/646003932.db2.gz NIZWCUVXZFCEHU-NEOSZVFXSA-N 1 2 247.360 0.698 20 0 BCADLO COC/C(C)=C\C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000929204031 646003936 /nfs/dbraw/zinc/00/39/36/646003936.db2.gz NIZWCUVXZFCEHU-NEOSZVFXSA-N 1 2 247.360 0.698 20 0 BCADLO O=S1(=O)CCC[C@@H]1C[NH+]1CCSCC1 ZINC000929275958 646057248 /nfs/dbraw/zinc/05/72/48/646057248.db2.gz GWYBVGSQMMZFJB-SECBINFHSA-N 1 2 235.374 0.612 20 0 BCADLO CCC[N@@H+](CC(=O)OC)C[C@H](O)C1(O)CCC1 ZINC000929294723 646068332 /nfs/dbraw/zinc/06/83/32/646068332.db2.gz FJZFIPHTDOHYNC-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CCC[N@H+](CC(=O)OC)C[C@H](O)C1(O)CCC1 ZINC000929294723 646068335 /nfs/dbraw/zinc/06/83/35/646068335.db2.gz FJZFIPHTDOHYNC-JTQLQIEISA-N 1 2 245.319 0.147 20 0 BCADLO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000924561992 646068648 /nfs/dbraw/zinc/06/86/48/646068648.db2.gz QORUTAQTPOGLNH-RKDXNWHRSA-N 1 2 237.307 0.400 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nn(C)cc1C ZINC000929332647 646084377 /nfs/dbraw/zinc/08/43/77/646084377.db2.gz ARSCJUFGNBWKDZ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nn(C)cc1C ZINC000929332647 646084381 /nfs/dbraw/zinc/08/43/81/646084381.db2.gz ARSCJUFGNBWKDZ-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO OCC[N@@H+](Cc1nncs1)CC1CC1 ZINC000929345071 646087490 /nfs/dbraw/zinc/08/74/90/646087490.db2.gz XWYRFIWYQAZSHI-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO OCC[N@H+](Cc1nncs1)CC1CC1 ZINC000929345071 646087495 /nfs/dbraw/zinc/08/74/95/646087495.db2.gz XWYRFIWYQAZSHI-UHFFFAOYSA-N 1 2 213.306 0.742 20 0 BCADLO c1cc(C[NH2+][C@H]2CCOC23CCOCC3)[nH]n1 ZINC000924989676 646152590 /nfs/dbraw/zinc/15/25/90/646152590.db2.gz GUVUZXZKXVUWPH-NSHDSACASA-N 1 2 237.303 0.837 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nncs1 ZINC000929522112 646169804 /nfs/dbraw/zinc/16/98/04/646169804.db2.gz XCXYURPOKHRWIT-SFYZADRCSA-N 1 2 240.332 0.624 20 0 BCADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nncs1 ZINC000929522112 646169807 /nfs/dbraw/zinc/16/98/07/646169807.db2.gz XCXYURPOKHRWIT-SFYZADRCSA-N 1 2 240.332 0.624 20 0 BCADLO C[N@H+](Cc1noc2c1COCC2)[C@H]1CCOC1 ZINC000929598863 646189882 /nfs/dbraw/zinc/18/98/82/646189882.db2.gz DZKDTLNRWJNXQO-VIFPVBQESA-N 1 2 238.287 0.968 20 0 BCADLO C[N@@H+](Cc1noc2c1COCC2)[C@H]1CCOC1 ZINC000929598863 646189885 /nfs/dbraw/zinc/18/98/85/646189885.db2.gz DZKDTLNRWJNXQO-VIFPVBQESA-N 1 2 238.287 0.968 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(OC)C2=O)C[C@@H](C)O1 ZINC000929620694 646206629 /nfs/dbraw/zinc/20/66/29/646206629.db2.gz UZJFIMGQDRYDIQ-GMTAPVOTSA-N 1 2 242.319 0.648 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(OC)C2=O)C[C@@H](C)O1 ZINC000929620694 646206633 /nfs/dbraw/zinc/20/66/33/646206633.db2.gz UZJFIMGQDRYDIQ-GMTAPVOTSA-N 1 2 242.319 0.648 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929623512 646207039 /nfs/dbraw/zinc/20/70/39/646207039.db2.gz COONVRVMLABFNS-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929623512 646207045 /nfs/dbraw/zinc/20/70/45/646207045.db2.gz COONVRVMLABFNS-DLOVCJGASA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1nncs1)CC(C)(C)O ZINC000929654717 646222343 /nfs/dbraw/zinc/22/23/43/646222343.db2.gz OUDBFQVALSBGHD-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO C[N@@H+](Cc1nncs1)CC(C)(C)O ZINC000929654717 646222346 /nfs/dbraw/zinc/22/23/46/646222346.db2.gz OUDBFQVALSBGHD-UHFFFAOYSA-N 1 2 201.295 0.741 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CCNC(=O)C1(C)C ZINC000929653234 646223835 /nfs/dbraw/zinc/22/38/35/646223835.db2.gz BFIZVZFFRBDAJF-YHYXMXQVSA-N 1 2 226.320 0.790 20 0 BCADLO COC/C(C)=C\C[N@H+]1CCNC(=O)C1(C)C ZINC000929653234 646223842 /nfs/dbraw/zinc/22/38/42/646223842.db2.gz BFIZVZFFRBDAJF-YHYXMXQVSA-N 1 2 226.320 0.790 20 0 BCADLO CCc1cnc(C[N@H+](C)C[C@H](O)[C@@H](C)O)s1 ZINC000929773850 646302011 /nfs/dbraw/zinc/30/20/11/646302011.db2.gz JLFRAJUMMCPXCL-SCZZXKLOSA-N 1 2 244.360 0.879 20 0 BCADLO CCc1cnc(C[N@@H+](C)C[C@H](O)[C@@H](C)O)s1 ZINC000929773850 646302017 /nfs/dbraw/zinc/30/20/17/646302017.db2.gz JLFRAJUMMCPXCL-SCZZXKLOSA-N 1 2 244.360 0.879 20 0 BCADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccnn2)C1 ZINC000929792360 646323100 /nfs/dbraw/zinc/32/31/00/646323100.db2.gz JREQIRLZTWZADS-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccnn2)C1 ZINC000929792360 646323104 /nfs/dbraw/zinc/32/31/04/646323104.db2.gz JREQIRLZTWZADS-SECBINFHSA-N 1 2 236.275 0.136 20 0 BCADLO COC(=O)[C@]1(C)CC[N@H+](Cc2nncs2)C1 ZINC000929831053 646346887 /nfs/dbraw/zinc/34/68/87/646346887.db2.gz ILZKEHIRSSWQFR-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2nncs2)C1 ZINC000929831053 646346890 /nfs/dbraw/zinc/34/68/90/646346890.db2.gz ILZKEHIRSSWQFR-SNVBAGLBSA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nncs2)C1 ZINC000929831051 646346921 /nfs/dbraw/zinc/34/69/21/646346921.db2.gz ILZKEHIRSSWQFR-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nncs2)C1 ZINC000929831051 646346924 /nfs/dbraw/zinc/34/69/24/646346924.db2.gz ILZKEHIRSSWQFR-JTQLQIEISA-N 1 2 241.316 0.923 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ncccc1F ZINC000925596395 646351915 /nfs/dbraw/zinc/35/19/15/646351915.db2.gz DKPIRFNTFIUTGZ-JTQLQIEISA-N 1 2 237.278 0.835 20 0 BCADLO COC(=O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929846619 646358483 /nfs/dbraw/zinc/35/84/83/646358483.db2.gz QVWQXPASCGGOJI-UHFFFAOYSA-N 1 2 247.254 0.808 20 0 BCADLO OC[C@H](O)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000929848296 646359539 /nfs/dbraw/zinc/35/95/39/646359539.db2.gz YWMABWNBFCQBAX-SNVBAGLBSA-N 1 2 243.253 0.676 20 0 BCADLO OC[C@H](O)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000929848296 646359541 /nfs/dbraw/zinc/35/95/41/646359541.db2.gz YWMABWNBFCQBAX-SNVBAGLBSA-N 1 2 243.253 0.676 20 0 BCADLO CCOCCOCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000930069698 646419594 /nfs/dbraw/zinc/41/95/94/646419594.db2.gz QSVFJLYGBHDTEE-UHFFFAOYSA-N 1 2 239.319 0.821 20 0 BCADLO CCOCCOCC[N@H+]1CCc2c[nH]nc2C1 ZINC000930069698 646419600 /nfs/dbraw/zinc/41/96/00/646419600.db2.gz QSVFJLYGBHDTEE-UHFFFAOYSA-N 1 2 239.319 0.821 20 0 BCADLO C[C@]1(O)CCC[N@H+](Cc2nncs2)C1 ZINC000930147437 646460988 /nfs/dbraw/zinc/46/09/88/646460988.db2.gz RXCOBTMXMREGGT-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO C[C@]1(O)CCC[N@@H+](Cc2nncs2)C1 ZINC000930147437 646460991 /nfs/dbraw/zinc/46/09/91/646460991.db2.gz RXCOBTMXMREGGT-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000925822213 646495267 /nfs/dbraw/zinc/49/52/67/646495267.db2.gz KAEAAZRQMWIJEO-CLAHSXSESA-N 1 2 218.322 0.582 20 0 BCADLO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000925822213 646495271 /nfs/dbraw/zinc/49/52/71/646495271.db2.gz KAEAAZRQMWIJEO-CLAHSXSESA-N 1 2 218.322 0.582 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC000925819856 646493543 /nfs/dbraw/zinc/49/35/43/646493543.db2.gz JATLNRHCCSXVGF-CQSZACIVSA-N 1 2 215.278 0.597 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@@H]2CNOC2)nn1C ZINC000925860346 646512774 /nfs/dbraw/zinc/51/27/74/646512774.db2.gz PANPHWZZVNKXID-DTWKUNHWSA-N 1 2 210.281 0.283 20 0 BCADLO CCS(=O)(CC)=NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000925881530 646530603 /nfs/dbraw/zinc/53/06/03/646530603.db2.gz CJEQADGPPNYREL-SECBINFHSA-N 1 2 232.349 0.973 20 0 BCADLO CCS(=O)(CC)=NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000925881530 646530612 /nfs/dbraw/zinc/53/06/12/646530612.db2.gz CJEQADGPPNYREL-SECBINFHSA-N 1 2 232.349 0.973 20 0 BCADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925869837 646522870 /nfs/dbraw/zinc/52/28/70/646522870.db2.gz QNHCACVSAHAYHI-APPZFPTMSA-N 1 2 240.259 0.620 20 0 BCADLO C[C@@H]1COC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000926497940 646661913 /nfs/dbraw/zinc/66/19/13/646661913.db2.gz BYLMMKNCBOGOKR-DVVUODLYSA-N 1 2 235.287 0.233 20 0 BCADLO COC(=O)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724715924 711609411 /nfs/dbraw/zinc/60/94/11/711609411.db2.gz LVSQGWZCJJPVOV-ZCFIWIBFSA-N 1 2 238.234 0.038 20 0 BCADLO CCOC(=O)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724716532 711609427 /nfs/dbraw/zinc/60/94/27/711609427.db2.gz QFUAAOZVTZXXOM-LURJTMIESA-N 1 2 238.234 0.038 20 0 BCADLO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000724726963 711610090 /nfs/dbraw/zinc/61/00/90/711610090.db2.gz JFJGBHNTEHQQIY-RNFRBKRXSA-N 1 2 222.235 0.216 20 0 BCADLO COCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724729287 711610191 /nfs/dbraw/zinc/61/01/91/711610191.db2.gz GLCOGXZMDRVQQJ-ZCFIWIBFSA-N 1 2 210.224 0.122 20 0 BCADLO C[C@H]1CCC[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030357675 711831544 /nfs/dbraw/zinc/83/15/44/711831544.db2.gz LSEHPUMYSQJJMO-QWRGUYRKSA-N 1 2 240.347 0.605 20 0 BCADLO CS(C)(=O)=NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913640551 711847705 /nfs/dbraw/zinc/84/77/05/711847705.db2.gz ZIJPKIDTWMPQRV-MRVPVSSYSA-N 1 2 241.316 0.700 20 0 BCADLO O=C(NCC1C[NH+](CCF)C1)c1ccsn1 ZINC001031760220 711889850 /nfs/dbraw/zinc/88/98/50/711889850.db2.gz ZBVVACGLEOYVOW-UHFFFAOYSA-N 1 2 243.307 0.774 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nonc2C)C1 ZINC001032844794 711961414 /nfs/dbraw/zinc/96/14/14/711961414.db2.gz ULAGFSRJAINYSG-SNVBAGLBSA-N 1 2 238.291 0.431 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC001032844794 711961416 /nfs/dbraw/zinc/96/14/16/711961416.db2.gz ULAGFSRJAINYSG-SNVBAGLBSA-N 1 2 238.291 0.431 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](CC)C(=O)NC)s1 ZINC000702692534 712059472 /nfs/dbraw/zinc/05/94/72/712059472.db2.gz GSHNUNZDKYYMFX-ZETCQYMHSA-N 1 2 242.348 0.715 20 0 BCADLO COC[C@@H](C)OC(=O)NCc1c[nH+]cn1C ZINC000704477255 712109386 /nfs/dbraw/zinc/10/93/86/712109386.db2.gz KDVUJCWZZQVFDD-MRVPVSSYSA-N 1 2 227.264 0.681 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706174918 712141545 /nfs/dbraw/zinc/14/15/45/712141545.db2.gz HJQANRSEUNFZJU-APPZFPTMSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706174918 712141546 /nfs/dbraw/zinc/14/15/46/712141546.db2.gz HJQANRSEUNFZJU-APPZFPTMSA-N 1 2 229.711 0.886 20 0 BCADLO Cc1nc(NCCc2ccns2)nc(N)[nH+]1 ZINC000709984728 712237094 /nfs/dbraw/zinc/23/70/94/712237094.db2.gz RTFPZBZQIMBJEZ-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO Cc1nc(N)nc(NCCc2ccns2)[nH+]1 ZINC000709984728 712237096 /nfs/dbraw/zinc/23/70/96/712237096.db2.gz RTFPZBZQIMBJEZ-UHFFFAOYSA-N 1 2 236.304 0.873 20 0 BCADLO CNc1cc(N2CCC[C@H](O)CC2)nc[nH+]1 ZINC000378795593 712361937 /nfs/dbraw/zinc/36/19/37/712361937.db2.gz QJHHNWKVAUWZDL-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO CNc1cc(N2CCC[C@H](O)CC2)[nH+]cn1 ZINC000378795593 712361939 /nfs/dbraw/zinc/36/19/39/712361939.db2.gz QJHHNWKVAUWZDL-VIFPVBQESA-N 1 2 222.292 0.870 20 0 BCADLO Cc1cc(CNC[C@H]2CC[N@@H+]2C)nn1C ZINC000712557241 712444905 /nfs/dbraw/zinc/44/49/05/712444905.db2.gz MJGZYYICUHEWMP-LLVKDONJSA-N 1 2 208.309 0.522 20 0 BCADLO Cc1cc(CNC[C@H]2CC[N@H+]2C)nn1C ZINC000712557241 712444906 /nfs/dbraw/zinc/44/49/06/712444906.db2.gz MJGZYYICUHEWMP-LLVKDONJSA-N 1 2 208.309 0.522 20 0 BCADLO CCCn1cc(C[NH2+][C@H](C)C(OC)OC)nn1 ZINC000714474557 712491243 /nfs/dbraw/zinc/49/12/43/712491243.db2.gz BEZLIZZFECPFKQ-SECBINFHSA-N 1 2 242.323 0.785 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000036933293 712521109 /nfs/dbraw/zinc/52/11/09/712521109.db2.gz PYVFSKJIMSUHRJ-JTQLQIEISA-N 1 2 238.335 0.528 20 0 BCADLO Cn1ncc(C[NH+]2CCC(C(C)(C)O)CC2)n1 ZINC000716413064 712559101 /nfs/dbraw/zinc/55/91/01/712559101.db2.gz NJRBTGAVODQSSY-UHFFFAOYSA-N 1 2 238.335 0.798 20 0 BCADLO CC(C)OC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000886722168 712657067 /nfs/dbraw/zinc/65/70/67/712657067.db2.gz XDXSVIIBNJHWBM-UHFFFAOYSA-N 1 2 228.292 0.135 20 0 BCADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCOC ZINC000928640691 712711417 /nfs/dbraw/zinc/71/14/17/712711417.db2.gz PAJMFARRHVGPAI-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCNC(=O)C[NH2+]Cc1nc(C)cs1 ZINC000038091619 712807437 /nfs/dbraw/zinc/80/74/37/712807437.db2.gz WWFXUWBJAPOABG-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1O ZINC000720369894 712836324 /nfs/dbraw/zinc/83/63/24/712836324.db2.gz PNRREYRUHZNSON-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1O ZINC000720369894 712836325 /nfs/dbraw/zinc/83/63/25/712836325.db2.gz PNRREYRUHZNSON-NXEZZACHSA-N 1 2 212.249 0.175 20 0 BCADLO Cc1cc(C[NH2+][C@@]2(CO)CCOC2)no1 ZINC000720402655 712839728 /nfs/dbraw/zinc/83/97/28/712839728.db2.gz XKDFELFTIGPTCY-SNVBAGLBSA-N 1 2 212.249 0.224 20 0 BCADLO COCCN(C)CC[NH2+]Cc1cc(C)on1 ZINC000720418899 712841479 /nfs/dbraw/zinc/84/14/79/712841479.db2.gz BYTOWZKYWKCHJY-UHFFFAOYSA-N 1 2 227.308 0.651 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001037990150 712897158 /nfs/dbraw/zinc/89/71/58/712897158.db2.gz GQEBSPBPZAYICI-FIFYQCSRSA-N 1 2 202.685 0.949 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001037990150 712897159 /nfs/dbraw/zinc/89/71/59/712897159.db2.gz GQEBSPBPZAYICI-FIFYQCSRSA-N 1 2 202.685 0.949 20 0 BCADLO CNc1cc(NC[C@](C)(O)C(C)C)[nH+]cn1 ZINC000381680517 710670350 /nfs/dbraw/zinc/67/03/50/710670350.db2.gz XYSPPPTWKNTXAR-NSHDSACASA-N 1 2 224.308 0.759 20 0 BCADLO Cc1nnc(C[NH2+][C@H]2CCCN(C)C2=O)s1 ZINC000381754017 710701790 /nfs/dbraw/zinc/70/17/90/710701790.db2.gz RTJCMCYOHKHWNK-QMMMGPOBSA-N 1 2 240.332 0.557 20 0 BCADLO CO[C@@H](C[NH2+]Cc1cn(C)nn1)C(F)(F)F ZINC000381764167 710704718 /nfs/dbraw/zinc/70/47/18/710704718.db2.gz UTSNUWTVHJKFQH-ZETCQYMHSA-N 1 2 238.213 0.482 20 0 BCADLO O=C(C(F)F)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039495160 710739077 /nfs/dbraw/zinc/73/90/77/710739077.db2.gz TUJNSNDKBLTWFK-DTORHVGOSA-N 1 2 248.273 0.309 20 0 BCADLO O=C(C(F)F)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039495160 710739083 /nfs/dbraw/zinc/73/90/83/710739083.db2.gz TUJNSNDKBLTWFK-DTORHVGOSA-N 1 2 248.273 0.309 20 0 BCADLO CCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001042387323 710777801 /nfs/dbraw/zinc/77/78/01/710777801.db2.gz DLNMEFJIUNDJCJ-UHFFFAOYSA-N 1 2 236.319 0.436 20 0 BCADLO CC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001042389642 710777894 /nfs/dbraw/zinc/77/78/94/710777894.db2.gz DNVPQSNUDHFGOS-UHFFFAOYSA-N 1 2 222.292 0.046 20 0 BCADLO Cc1ccccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042427032 710782597 /nfs/dbraw/zinc/78/25/97/710782597.db2.gz MBRMXECUCPHTMC-UHFFFAOYSA-N 1 2 248.326 0.744 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cnn(C)c2)C1 ZINC001042463389 710784873 /nfs/dbraw/zinc/78/48/73/710784873.db2.gz ASNUCJFOSDFEAA-UHFFFAOYSA-N 1 2 222.292 0.196 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cscn2)C1 ZINC001042538747 710791251 /nfs/dbraw/zinc/79/12/51/710791251.db2.gz RHXPGAMKBQICSD-UHFFFAOYSA-N 1 2 225.317 0.919 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC001042548804 710792179 /nfs/dbraw/zinc/79/21/79/710792179.db2.gz SSVLXTNVXPOOEL-UHFFFAOYSA-N 1 2 237.278 0.997 20 0 BCADLO Cc1[nH]ccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042594156 710795151 /nfs/dbraw/zinc/79/51/51/710795151.db2.gz UGCGEILRLULYOY-UHFFFAOYSA-N 1 2 237.303 0.072 20 0 BCADLO CCn1nncc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001042691896 710796656 /nfs/dbraw/zinc/79/66/56/710796656.db2.gz HZFIVJNABUDSQC-UHFFFAOYSA-N 1 2 237.307 0.074 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2nccc(C)n2)C1 ZINC001042673137 710796780 /nfs/dbraw/zinc/79/67/80/710796780.db2.gz CAWCTDPXRIXCLV-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO CC[C@H](CO)N(C)c1cc(NC)[nH+]cn1 ZINC000382127321 710798507 /nfs/dbraw/zinc/79/85/07/710798507.db2.gz VQPCSFMCFITCDJ-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CC[C@H](CO)N(C)c1cc(NC)nc[nH+]1 ZINC000382127321 710798510 /nfs/dbraw/zinc/79/85/10/710798510.db2.gz VQPCSFMCFITCDJ-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccc(C)nn2)C1 ZINC001042707793 710798594 /nfs/dbraw/zinc/79/85/94/710798594.db2.gz VCUXRXZSADBRBL-UHFFFAOYSA-N 1 2 234.303 0.561 20 0 BCADLO Cn1ncc(CNCC[NH+]2CCC2)c1Cl ZINC000382170334 710802738 /nfs/dbraw/zinc/80/27/38/710802738.db2.gz WGRPFSSXNIFPAR-UHFFFAOYSA-N 1 2 228.727 0.869 20 0 BCADLO CN(C(=O)c1cnco1)C1C[NH+](CCCF)C1 ZINC001043497656 710806955 /nfs/dbraw/zinc/80/69/55/710806955.db2.gz PWHZEWLYOLFRHU-UHFFFAOYSA-N 1 2 241.266 0.790 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)c2csnn2)C1 ZINC001043482355 710807055 /nfs/dbraw/zinc/80/70/55/710807055.db2.gz GVWFMRXILDOVJS-UHFFFAOYSA-N 1 2 240.332 0.703 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2cnco2)C1 ZINC001043496553 710807436 /nfs/dbraw/zinc/80/74/36/710807436.db2.gz QAYUZECHKJEYJU-UHFFFAOYSA-N 1 2 223.276 0.841 20 0 BCADLO CN(C(=O)C1(C)CCC1)C1C[NH+](CCCO)C1 ZINC001043541891 710808941 /nfs/dbraw/zinc/80/89/41/710808941.db2.gz IGFLLNNCCUXPME-UHFFFAOYSA-N 1 2 240.347 0.702 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043920625 710814539 /nfs/dbraw/zinc/81/45/39/710814539.db2.gz OCVQDGDQYVTPDH-MWLCHTKSSA-N 1 2 226.320 0.167 20 0 BCADLO CN(C(=O)[C@H]1CC12CCC2)C1C[NH+](CCO)C1 ZINC001043983096 710817089 /nfs/dbraw/zinc/81/70/89/710817089.db2.gz VHRMYMFKGXNZOY-LLVKDONJSA-N 1 2 238.331 0.312 20 0 BCADLO CN(C(=O)c1cnon1)C1C[NH+](CCCF)C1 ZINC001044075646 710818883 /nfs/dbraw/zinc/81/88/83/710818883.db2.gz DAPGZPFTPJCSHP-UHFFFAOYSA-N 1 2 242.254 0.185 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ncccc2F)C1 ZINC001044089976 710818969 /nfs/dbraw/zinc/81/89/69/710818969.db2.gz UVMQVFJOOBGGLO-UHFFFAOYSA-N 1 2 237.278 0.997 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC001044293697 710823578 /nfs/dbraw/zinc/82/35/78/710823578.db2.gz HIWQYNBBYSLAHU-UHFFFAOYSA-N 1 2 222.292 0.196 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001046085586 710845330 /nfs/dbraw/zinc/84/53/30/710845330.db2.gz BVEPAOGHZIOYNP-NSHDSACASA-N 1 2 223.276 0.775 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001046085586 710845332 /nfs/dbraw/zinc/84/53/32/710845332.db2.gz BVEPAOGHZIOYNP-NSHDSACASA-N 1 2 223.276 0.775 20 0 BCADLO CN(C(=O)C1CCC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047281425 710869614 /nfs/dbraw/zinc/86/96/14/710869614.db2.gz VUVJOZRXDDFABA-QWRGUYRKSA-N 1 2 244.310 0.260 20 0 BCADLO CN(C(=O)C1CCC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047281425 710869616 /nfs/dbraw/zinc/86/96/16/710869616.db2.gz VUVJOZRXDDFABA-QWRGUYRKSA-N 1 2 244.310 0.260 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)C=C(C)C)CCO2 ZINC001053140795 710919656 /nfs/dbraw/zinc/91/96/56/710919656.db2.gz KCYILQYGHOVCOF-UHFFFAOYSA-N 1 2 238.331 0.886 20 0 BCADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)CO2 ZINC001053711651 710920525 /nfs/dbraw/zinc/92/05/25/710920525.db2.gz PNCWUGCADNZMHP-SSDOTTSWSA-N 1 2 234.246 0.231 20 0 BCADLO CCC(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053708053 710920891 /nfs/dbraw/zinc/92/08/91/710920891.db2.gz UEVTWBPQTQYCQN-JTQLQIEISA-N 1 2 244.310 0.716 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053818130 710922859 /nfs/dbraw/zinc/92/28/59/710922859.db2.gz YBFKHCLCURSEHJ-NSHDSACASA-N 1 2 249.314 0.608 20 0 BCADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053738989 710923640 /nfs/dbraw/zinc/92/36/40/710923640.db2.gz WIEHYDDHHZMWNI-JTQLQIEISA-N 1 2 249.314 0.608 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@H]2C)nc[nH+]1 ZINC000384828330 710998452 /nfs/dbraw/zinc/99/84/52/710998452.db2.gz UVFWDMWMTKAFFA-HTQZYQBOSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N2C[C@H](O)C[C@H]2C)[nH+]cn1 ZINC000384828330 710998458 /nfs/dbraw/zinc/99/84/58/710998458.db2.gz UVFWDMWMTKAFFA-HTQZYQBOSA-N 1 2 208.265 0.478 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@H+]1CC[C@H](C)F ZINC001050782543 710954369 /nfs/dbraw/zinc/95/43/69/710954369.db2.gz PMYGWFQPXXKOCZ-ONGXEEELSA-N 1 2 232.299 0.571 20 0 BCADLO CC(=O)NC[C@H]1COCC[N@@H+]1CC[C@H](C)F ZINC001050782543 710954373 /nfs/dbraw/zinc/95/43/73/710954373.db2.gz PMYGWFQPXXKOCZ-ONGXEEELSA-N 1 2 232.299 0.571 20 0 BCADLO CC[C@H](C[N@@H+]1CCOC[C@H]1CNC(C)=O)OC ZINC001050780574 710954430 /nfs/dbraw/zinc/95/44/30/710954430.db2.gz DPFOWLAFGKAXCE-VXGBXAGGSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](C[N@H+]1CCOC[C@H]1CNC(C)=O)OC ZINC001050780574 710954435 /nfs/dbraw/zinc/95/44/35/710954435.db2.gz DPFOWLAFGKAXCE-VXGBXAGGSA-N 1 2 244.335 0.248 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001052130884 710960595 /nfs/dbraw/zinc/96/05/95/710960595.db2.gz FOLUEOJGVJXFSO-SNVBAGLBSA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001052130884 710960597 /nfs/dbraw/zinc/96/05/97/710960597.db2.gz FOLUEOJGVJXFSO-SNVBAGLBSA-N 1 2 238.291 0.560 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000384849869 710998736 /nfs/dbraw/zinc/99/87/36/710998736.db2.gz KSJDQBIWBQCNQN-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000384849869 710998739 /nfs/dbraw/zinc/99/87/39/710998739.db2.gz KSJDQBIWBQCNQN-VXNVDRBHSA-N 1 2 211.265 0.723 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)nc1 ZINC000388460923 711060980 /nfs/dbraw/zinc/06/09/80/711060980.db2.gz GLSNIEQJEVADDW-UHFFFAOYSA-N 1 2 234.234 0.884 20 0 BCADLO Cn1ncnc1C[NH2+]C1COC(C)(C)OC1 ZINC000389330009 711076242 /nfs/dbraw/zinc/07/62/42/711076242.db2.gz ODFAUOYDWSLSMY-UHFFFAOYSA-N 1 2 226.280 0.056 20 0 BCADLO C[C@]1([NH2+]CCC2OCCO2)CCOC1=O ZINC000389667336 711085651 /nfs/dbraw/zinc/08/56/51/711085651.db2.gz QFWGGCHDADRTBP-JTQLQIEISA-N 1 2 215.249 0.045 20 0 BCADLO CCc1nnc(C[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000392079352 711143814 /nfs/dbraw/zinc/14/38/14/711143814.db2.gz CDFZYMJXVAFJQP-SSDOTTSWSA-N 1 2 242.348 0.667 20 0 BCADLO C[C@H](O)C[N@H+](CCO)Cc1cccnc1Cl ZINC000390574550 711127204 /nfs/dbraw/zinc/12/72/04/711127204.db2.gz OCMXHPVEBHMKCE-VIFPVBQESA-N 1 2 244.722 0.910 20 0 BCADLO C[C@H](O)C[N@@H+](CCO)Cc1cccnc1Cl ZINC000390574550 711127207 /nfs/dbraw/zinc/12/72/07/711127207.db2.gz OCMXHPVEBHMKCE-VIFPVBQESA-N 1 2 244.722 0.910 20 0 BCADLO C#CCC[NH+]1CCN(C(=O)c2oncc2C)CC1 ZINC000073228547 711139628 /nfs/dbraw/zinc/13/96/28/711139628.db2.gz NPCFJHHURLIYHY-UHFFFAOYSA-N 1 2 247.298 0.764 20 0 BCADLO CCc1nnc(C[NH2+]C(COC)COC)s1 ZINC000391950953 711141306 /nfs/dbraw/zinc/14/13/06/711141306.db2.gz HMOHKEXSKLAVSW-UHFFFAOYSA-N 1 2 245.348 0.852 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000392079358 711142936 /nfs/dbraw/zinc/14/29/36/711142936.db2.gz CDFZYMJXVAFJQP-ZETCQYMHSA-N 1 2 242.348 0.667 20 0 BCADLO CC[NH2+]Cc1noc([C@@]2(C)CCOC2)n1 ZINC000393749413 711172866 /nfs/dbraw/zinc/17/28/66/711172866.db2.gz AXVXUNUIYFANCZ-JTQLQIEISA-N 1 2 211.265 0.857 20 0 BCADLO Cn1ncc(C[NH2+][C@@H](CO)CC(F)(F)F)n1 ZINC000393911018 711178127 /nfs/dbraw/zinc/17/81/27/711178127.db2.gz BWCXCVUBZAHURY-ZCFIWIBFSA-N 1 2 238.213 0.218 20 0 BCADLO C/C=C/C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394697576 711196730 /nfs/dbraw/zinc/19/67/30/711196730.db2.gz DCCLVGVGWZBAJM-JRBALWBOSA-N 1 2 223.320 0.069 20 0 BCADLO C/C=C/C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394697576 711196733 /nfs/dbraw/zinc/19/67/33/711196733.db2.gz DCCLVGVGWZBAJM-JRBALWBOSA-N 1 2 223.320 0.069 20 0 BCADLO CC(C)NC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394840149 711198985 /nfs/dbraw/zinc/19/89/85/711198985.db2.gz JSQIVLVLQXLWGJ-NSHDSACASA-N 1 2 240.351 0.084 20 0 BCADLO CC(C)NC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394840149 711198988 /nfs/dbraw/zinc/19/89/88/711198988.db2.gz JSQIVLVLQXLWGJ-NSHDSACASA-N 1 2 240.351 0.084 20 0 BCADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074175415 711441706 /nfs/dbraw/zinc/44/17/06/711441706.db2.gz UKLSQQLDQNUNFL-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074175415 711441707 /nfs/dbraw/zinc/44/17/07/711441707.db2.gz UKLSQQLDQNUNFL-NWDGAFQWSA-N 1 2 240.347 0.964 20 0 BCADLO Cn1ncc(C[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000380999308 710597379 /nfs/dbraw/zinc/59/73/79/710597379.db2.gz HKFMONAHLUEHII-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO c1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[nH]n1 ZINC000724599209 710742798 /nfs/dbraw/zinc/74/27/98/710742798.db2.gz LFTXGCCBBSPAMD-IEBDPFPHSA-N 1 2 223.276 0.303 20 0 BCADLO [NH3+][C@H](CC(=O)NCc1ccccn1)C(F)F ZINC000724771448 710744275 /nfs/dbraw/zinc/74/42/75/710744275.db2.gz LKRKBQZLKCCZMX-MRVPVSSYSA-N 1 2 229.230 0.680 20 0 BCADLO Cn1cc(NC(=O)C[C@H]([NH3+])C(F)F)ccc1=O ZINC000724770971 710744467 /nfs/dbraw/zinc/74/44/67/710744467.db2.gz IVSZDZMGQITOMP-ZETCQYMHSA-N 1 2 245.229 0.306 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)CC2CC2)C1 ZINC001042404148 710780415 /nfs/dbraw/zinc/78/04/15/710780415.db2.gz QQSAKTHEDAZNER-UHFFFAOYSA-N 1 2 226.320 0.576 20 0 BCADLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042405432 710780459 /nfs/dbraw/zinc/78/04/59/710780459.db2.gz BIQKIVMNVCYIPA-SECBINFHSA-N 1 2 246.326 0.912 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cccnc2)C1 ZINC001042414790 710780806 /nfs/dbraw/zinc/78/08/06/710780806.db2.gz UGMPGFSYBMXMQR-SNVBAGLBSA-N 1 2 249.314 0.219 20 0 BCADLO CN(C(=O)c1cccnc1)C1C[NH+](CCCO)C1 ZINC001042416151 710781023 /nfs/dbraw/zinc/78/10/23/710781023.db2.gz DABLZLVDKSCPLC-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO Cc1cccc(C(=O)N(C)C2C[NH+](CCO)C2)n1 ZINC001042489848 710787214 /nfs/dbraw/zinc/78/72/14/710787214.db2.gz YTEZKKIVRBBNKG-UHFFFAOYSA-N 1 2 249.314 0.139 20 0 BCADLO CC(C)[NH+]1CC(N(C)C(=O)c2cnsn2)C1 ZINC001042509966 710789216 /nfs/dbraw/zinc/78/92/16/710789216.db2.gz ORONRTWBXLAIAU-UHFFFAOYSA-N 1 2 240.332 0.703 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC001043500448 710806604 /nfs/dbraw/zinc/80/66/04/710806604.db2.gz MEYKRSLRDJGFCZ-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)c1ccccc1 ZINC000385931497 711020137 /nfs/dbraw/zinc/02/01/37/711020137.db2.gz KTHFESZAMLSLCJ-LBPRGKRZSA-N 1 2 245.282 0.733 20 0 BCADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000389827370 711091440 /nfs/dbraw/zinc/09/14/40/711091440.db2.gz TUGCNQFJAKZMEC-QMMMGPOBSA-N 1 2 234.307 0.708 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1O ZINC000395372725 711208201 /nfs/dbraw/zinc/20/82/01/711208201.db2.gz PMNIAYWRZDHVTG-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1O ZINC000395372725 711208203 /nfs/dbraw/zinc/20/82/03/711208203.db2.gz PMNIAYWRZDHVTG-NXEZZACHSA-N 1 2 242.706 0.927 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1nc(C)cs1 ZINC000397524546 711385017 /nfs/dbraw/zinc/38/50/17/711385017.db2.gz MKJPZMQJWADPHH-UHFFFAOYSA-N 1 2 229.305 0.561 20 0 BCADLO CCc1cnc(C[NH2+]CC(=O)N(C)OC)s1 ZINC000397525277 711385843 /nfs/dbraw/zinc/38/58/43/711385843.db2.gz HXSZWRGXRVWWIN-UHFFFAOYSA-N 1 2 243.332 0.815 20 0 BCADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074175413 711441170 /nfs/dbraw/zinc/44/11/70/711441170.db2.gz UKLSQQLDQNUNFL-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074175413 711441171 /nfs/dbraw/zinc/44/11/71/711441171.db2.gz UKLSQQLDQNUNFL-NEPJUHHUSA-N 1 2 240.347 0.964 20 0 BCADLO O=C(NC[C@H]1CC[N@H+]1CCF)C1=CCOCC1 ZINC001038192222 711482093 /nfs/dbraw/zinc/48/20/93/711482093.db2.gz VWJZXAUNKAWSLV-LLVKDONJSA-N 1 2 242.294 0.493 20 0 BCADLO O=C(NC[C@H]1CC[N@@H+]1CCF)C1=CCOCC1 ZINC001038192222 711482094 /nfs/dbraw/zinc/48/20/94/711482094.db2.gz VWJZXAUNKAWSLV-LLVKDONJSA-N 1 2 242.294 0.493 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1F ZINC000934565203 711593765 /nfs/dbraw/zinc/59/37/65/711593765.db2.gz IWMYNOGHQIKKCP-YIZRAAEISA-N 1 2 239.237 0.815 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1F ZINC000934565203 711593767 /nfs/dbraw/zinc/59/37/67/711593767.db2.gz IWMYNOGHQIKKCP-YIZRAAEISA-N 1 2 239.237 0.815 20 0 BCADLO O[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C[C@@H]1F ZINC000934565269 711593982 /nfs/dbraw/zinc/59/39/82/711593982.db2.gz BUQZJOSJXAFVGO-TUAOUCFPSA-N 1 2 247.310 0.934 20 0 BCADLO O[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C[C@@H]1F ZINC000934565269 711593985 /nfs/dbraw/zinc/59/39/85/711593985.db2.gz BUQZJOSJXAFVGO-TUAOUCFPSA-N 1 2 247.310 0.934 20 0 BCADLO CC[C@H](COC)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724748037 711610479 /nfs/dbraw/zinc/61/04/79/711610479.db2.gz ZVCXFSPFFSKFAW-RNFRBKRXSA-N 1 2 224.251 0.510 20 0 BCADLO Cc1n[nH]cc1C[N@H+](C)CC[S@](C)=O ZINC000724775030 711611396 /nfs/dbraw/zinc/61/13/96/711611396.db2.gz SIQUFSDVJBYHGF-AWEZNQCLSA-N 1 2 215.322 0.528 20 0 BCADLO Cc1n[nH]cc1C[N@@H+](C)CC[S@](C)=O ZINC000724775030 711611399 /nfs/dbraw/zinc/61/13/99/711611399.db2.gz SIQUFSDVJBYHGF-AWEZNQCLSA-N 1 2 215.322 0.528 20 0 BCADLO C[C@H](O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365605260 711690973 /nfs/dbraw/zinc/69/09/73/711690973.db2.gz XGNBJWRHXYDHEQ-UWVGGRQHSA-N 1 2 237.303 0.507 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000309906463 711698565 /nfs/dbraw/zinc/69/85/65/711698565.db2.gz KKIMCSUAQFCZMX-SECBINFHSA-N 1 2 224.308 0.929 20 0 BCADLO C[C@@H]1C[C@H](C)CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000334595916 711717630 /nfs/dbraw/zinc/71/76/30/711717630.db2.gz PHLYMXYHTMFQQL-DTWKUNHWSA-N 1 2 248.330 0.926 20 0 BCADLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027256024 711721032 /nfs/dbraw/zinc/72/10/32/711721032.db2.gz URMKFTQBZPRMFF-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027256024 711721034 /nfs/dbraw/zinc/72/10/34/711721034.db2.gz URMKFTQBZPRMFF-GFCCVEGCSA-N 1 2 248.330 0.919 20 0 BCADLO C[N@H+](CC[S@](C)=O)C[C@H](O)C(F)(F)F ZINC000399078538 711743610 /nfs/dbraw/zinc/74/36/10/711743610.db2.gz KFGGIFUXYWAJSJ-MDAAJZPYSA-N 1 2 233.255 0.220 20 0 BCADLO C[N@@H+](CC[S@](C)=O)C[C@H](O)C(F)(F)F ZINC000399078538 711743611 /nfs/dbraw/zinc/74/36/11/711743611.db2.gz KFGGIFUXYWAJSJ-MDAAJZPYSA-N 1 2 233.255 0.220 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)Cc1[nH]c[nH+]c1C ZINC000925819379 711755742 /nfs/dbraw/zinc/75/57/42/711755742.db2.gz BBMHRLKLUKJPHJ-OAHLLOKOSA-N 1 2 229.305 0.905 20 0 BCADLO CCOC(C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1)OCC ZINC000229978686 711759883 /nfs/dbraw/zinc/75/98/83/711759883.db2.gz PHPIMICGBBHLAH-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO CCOC(C[N@H+]1C[C@@H](C)O[C@@H](CO)C1)OCC ZINC000229978686 711759884 /nfs/dbraw/zinc/75/98/84/711759884.db2.gz PHPIMICGBBHLAH-GHMZBOCLSA-N 1 2 247.335 0.467 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cscn1 ZINC000895317805 711780623 /nfs/dbraw/zinc/78/06/23/711780623.db2.gz PKEYYJVZLXBYGH-QMMMGPOBSA-N 1 2 225.317 0.757 20 0 BCADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000895318484 711780726 /nfs/dbraw/zinc/78/07/26/711780726.db2.gz SUIYAHKCCPFPJO-QMMMGPOBSA-N 1 2 208.265 0.024 20 0 BCADLO O=C1C[N@H+](CCCc2cccnc2)CCN1 ZINC000929138640 711798587 /nfs/dbraw/zinc/79/85/87/711798587.db2.gz VMFFFJUNGDWTRC-UHFFFAOYSA-N 1 2 219.288 0.446 20 0 BCADLO O=C1C[N@@H+](CCCc2cccnc2)CCN1 ZINC000929138640 711798588 /nfs/dbraw/zinc/79/85/88/711798588.db2.gz VMFFFJUNGDWTRC-UHFFFAOYSA-N 1 2 219.288 0.446 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1C[C@@H](O)C1 ZINC000898505896 711801643 /nfs/dbraw/zinc/80/16/43/711801643.db2.gz ZXFWORSGSWCPCB-GARJFASQSA-N 1 2 244.310 0.307 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1C[C@@H](O)C1 ZINC000898505896 711801644 /nfs/dbraw/zinc/80/16/44/711801644.db2.gz ZXFWORSGSWCPCB-GARJFASQSA-N 1 2 244.310 0.307 20 0 BCADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC[C@@H]1O ZINC000907536859 711815771 /nfs/dbraw/zinc/81/57/71/711815771.db2.gz GBMLYMFRHHAMDF-MNOVXSKESA-N 1 2 249.314 0.723 20 0 BCADLO CC(=O)N(C)C1C[NH+](CCc2ccns2)C1 ZINC001042393194 711818547 /nfs/dbraw/zinc/81/85/47/711818547.db2.gz LCOZSXDJEOVNGC-UHFFFAOYSA-N 1 2 239.344 0.848 20 0 BCADLO Cn1cc([C@H]2CN(C(=O)C3CCC3)CC[NH2+]2)cn1 ZINC000913475897 711822583 /nfs/dbraw/zinc/82/25/83/711822583.db2.gz PXWRVHVFXPBGNT-GFCCVEGCSA-N 1 2 248.330 0.693 20 0 BCADLO CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001030037834 711825787 /nfs/dbraw/zinc/82/57/87/711825787.db2.gz BRJGQKTVCCFAKF-KWQFWETISA-N 1 2 212.293 0.374 20 0 BCADLO CC[N@H+](CCC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000057522480 711826887 /nfs/dbraw/zinc/82/68/87/711826887.db2.gz JRQJDRHDQCLCIQ-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CC[N@@H+](CCC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000057522480 711826888 /nfs/dbraw/zinc/82/68/88/711826888.db2.gz JRQJDRHDQCLCIQ-SNVBAGLBSA-N 1 2 233.333 0.475 20 0 BCADLO CC(C(=O)NC1C[NH+](C[C@@H](C)O)C1)=C1CCC1 ZINC001030290623 711830125 /nfs/dbraw/zinc/83/01/25/711830125.db2.gz RAZBDCIIKRNXSZ-SECBINFHSA-N 1 2 238.331 0.668 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC001042434351 711831890 /nfs/dbraw/zinc/83/18/90/711831890.db2.gz IVDNAFHVNDBBIE-GXSJLCMTSA-N 1 2 226.320 0.431 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2ncccn2)C1 ZINC001046086751 711844844 /nfs/dbraw/zinc/84/48/44/711844844.db2.gz LLAYXSDNDKTTLI-LBPRGKRZSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncccn2)C1 ZINC001046086751 711844846 /nfs/dbraw/zinc/84/48/46/711844846.db2.gz LLAYXSDNDKTTLI-LBPRGKRZSA-N 1 2 234.303 0.577 20 0 BCADLO CNc1cc(N2CCCN(C(C)=O)CC2)nc[nH+]1 ZINC000131692009 711934968 /nfs/dbraw/zinc/93/49/68/711934968.db2.gz BJSCAVMFGNIVTR-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CNc1cc(N2CCCN(C(C)=O)CC2)[nH+]cn1 ZINC000131692009 711934969 /nfs/dbraw/zinc/93/49/69/711934969.db2.gz BJSCAVMFGNIVTR-UHFFFAOYSA-N 1 2 249.318 0.577 20 0 BCADLO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001054300781 711946233 /nfs/dbraw/zinc/94/62/33/711946233.db2.gz PNTZPSGTEDKEKA-XCBNKYQSSA-N 1 2 240.332 0.495 20 0 BCADLO CCO[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000701836822 712030874 /nfs/dbraw/zinc/03/08/74/712030874.db2.gz RFMMXYPZCBFEEL-QMMMGPOBSA-N 1 2 223.280 0.377 20 0 BCADLO CC[N@H+](CCO[C@H]1CC1(F)F)CC(=O)OC ZINC000701846482 712031429 /nfs/dbraw/zinc/03/14/29/712031429.db2.gz BALFCVIQFLDSNF-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CC[N@@H+](CCO[C@H]1CC1(F)F)CC(=O)OC ZINC000701846482 712031430 /nfs/dbraw/zinc/03/14/30/712031430.db2.gz BALFCVIQFLDSNF-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CC(=O)N[C@H]1CCCC[N@H+](Cc2cnon2)C1 ZINC001034070209 712038666 /nfs/dbraw/zinc/03/86/66/712038666.db2.gz RPOZRIWRWYOIQL-JTQLQIEISA-N 1 2 238.291 0.560 20 0 BCADLO CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnon2)C1 ZINC001034070209 712038670 /nfs/dbraw/zinc/03/86/70/712038670.db2.gz RPOZRIWRWYOIQL-JTQLQIEISA-N 1 2 238.291 0.560 20 0 BCADLO CNc1cc(N2CC3(C2)CCCO3)nc[nH+]1 ZINC000702923792 712061961 /nfs/dbraw/zinc/06/19/61/712061961.db2.gz WDYWCUSDKFFIQE-UHFFFAOYSA-N 1 2 220.276 0.888 20 0 BCADLO CNc1cc(N2CC3(C2)CCCO3)[nH+]cn1 ZINC000702923792 712061963 /nfs/dbraw/zinc/06/19/63/712061963.db2.gz WDYWCUSDKFFIQE-UHFFFAOYSA-N 1 2 220.276 0.888 20 0 BCADLO COC1CC(C[N@H+](CCO)CC(F)F)C1 ZINC000703801441 712088292 /nfs/dbraw/zinc/08/82/92/712088292.db2.gz KTBYXVSKIDWFQW-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO COC1CC(C[N@@H+](CCO)CC(F)F)C1 ZINC000703801441 712088294 /nfs/dbraw/zinc/08/82/94/712088294.db2.gz KTBYXVSKIDWFQW-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705335177 712129174 /nfs/dbraw/zinc/12/91/74/712129174.db2.gz BOKOLQGEHVQOFW-DTORHVGOSA-N 1 2 223.263 0.564 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705335177 712129176 /nfs/dbraw/zinc/12/91/76/712129176.db2.gz BOKOLQGEHVQOFW-DTORHVGOSA-N 1 2 223.263 0.564 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCOC[C@H]1CCO ZINC000705394423 712129938 /nfs/dbraw/zinc/12/99/38/712129938.db2.gz XQUDFROOYLRXCP-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO Cc1cnccc1C[N@H+]1CCOC[C@H]1CCO ZINC000705394423 712129939 /nfs/dbraw/zinc/12/99/39/712129939.db2.gz XQUDFROOYLRXCP-CYBMUJFWSA-N 1 2 236.315 0.973 20 0 BCADLO CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000705746959 712135704 /nfs/dbraw/zinc/13/57/04/712135704.db2.gz ZSAKXXDJJBQQTR-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000706169048 712141566 /nfs/dbraw/zinc/14/15/66/712141566.db2.gz UPFREFFOKLKJNW-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000706169048 712141567 /nfs/dbraw/zinc/14/15/67/712141567.db2.gz UPFREFFOKLKJNW-ZETCQYMHSA-N 1 2 217.700 0.886 20 0 BCADLO CC(C)[C@H]1C[N@H+](Cc2ccc(N)nn2)CCO1 ZINC000708958534 712204744 /nfs/dbraw/zinc/20/47/44/712204744.db2.gz CPIFMHKQPMFUOC-LLVKDONJSA-N 1 2 236.319 0.916 20 0 BCADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(N)nn2)CCO1 ZINC000708958534 712204746 /nfs/dbraw/zinc/20/47/46/712204746.db2.gz CPIFMHKQPMFUOC-LLVKDONJSA-N 1 2 236.319 0.916 20 0 BCADLO CNc1cc(N[C@@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000709108110 712208757 /nfs/dbraw/zinc/20/87/57/712208757.db2.gz JZOGQUMHVXPJLF-SECBINFHSA-N 1 2 249.318 0.940 20 0 BCADLO CNc1cc(N[C@@H]2CCN(C(C)C)C2=O)[nH+]cn1 ZINC000709108110 712208758 /nfs/dbraw/zinc/20/87/58/712208758.db2.gz JZOGQUMHVXPJLF-SECBINFHSA-N 1 2 249.318 0.940 20 0 BCADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cn(C)cn1 ZINC000709941489 712234700 /nfs/dbraw/zinc/23/47/00/712234700.db2.gz ZZFKUUJSUJSGSQ-SECBINFHSA-N 1 2 236.319 0.597 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1COC[C@H]1C)C1CC1 ZINC000711031944 712275346 /nfs/dbraw/zinc/27/53/46/712275346.db2.gz FRDGLVFMDPFOPD-SZEHBUNVSA-N 1 2 213.277 0.563 20 0 BCADLO Cc1nc(N2CCC[C@H](CF)C2)nc(N)[nH+]1 ZINC000711430118 712299403 /nfs/dbraw/zinc/29/94/03/712299403.db2.gz KMUCJUWRLRMTCA-MRVPVSSYSA-N 1 2 225.271 0.948 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001079328956 712347162 /nfs/dbraw/zinc/34/71/62/712347162.db2.gz USRVEVXCHXNAJX-ZYHUDNBSSA-N 1 2 248.330 0.741 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001079328956 712347163 /nfs/dbraw/zinc/34/71/63/712347163.db2.gz USRVEVXCHXNAJX-ZYHUDNBSSA-N 1 2 248.330 0.741 20 0 BCADLO CNc1cc(NC[C@H](OC)C2CC2)[nH+]cn1 ZINC000378708754 712358359 /nfs/dbraw/zinc/35/83/59/712358359.db2.gz ROWUCYABDKTZQS-VIFPVBQESA-N 1 2 222.292 0.777 20 0 BCADLO Cc1nc(N2CCC[C@H](CO)CC2)nc(N)[nH+]1 ZINC000378823951 712362580 /nfs/dbraw/zinc/36/25/80/712362580.db2.gz OEQPHRBLDOKPSI-VIFPVBQESA-N 1 2 237.307 0.191 20 0 BCADLO Cn1ncc(C[NH2+][C@H]2CCNC2=O)c1Cl ZINC000712407145 712429258 /nfs/dbraw/zinc/42/92/58/712429258.db2.gz PWHIDZHOXYPSAM-ZETCQYMHSA-N 1 2 228.683 0.052 20 0 BCADLO c1nc2ccnc(NCC[NH+]3CCOCC3)c2[nH]1 ZINC000714225946 712479241 /nfs/dbraw/zinc/47/92/41/712479241.db2.gz DKEAVAMYZPBHDS-UHFFFAOYSA-N 1 2 247.302 0.702 20 0 BCADLO CCCn1cc(C[NH2+]CCc2n[nH]c(C)n2)nn1 ZINC000714438724 712487230 /nfs/dbraw/zinc/48/72/30/712487230.db2.gz VSSKZXHUFWOFIO-UHFFFAOYSA-N 1 2 249.322 0.447 20 0 BCADLO CCCn1cc(C[NH2+]CCc2nnc(C)[nH]2)nn1 ZINC000714438724 712487232 /nfs/dbraw/zinc/48/72/32/712487232.db2.gz VSSKZXHUFWOFIO-UHFFFAOYSA-N 1 2 249.322 0.447 20 0 BCADLO COCC1(C[NH+]2CC(O)(C(=O)OC)C2)CCC1 ZINC000714460719 712490603 /nfs/dbraw/zinc/49/06/03/712490603.db2.gz BEQDVOBFPHIIAN-UHFFFAOYSA-N 1 2 243.303 0.023 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2(C)CCC2)C1 ZINC000714489485 712492270 /nfs/dbraw/zinc/49/22/70/712492270.db2.gz WKIGCYXXAGKTPI-UHFFFAOYSA-N 1 2 213.277 0.396 20 0 BCADLO CCn1cc(C[NH2+][C@@H]2CCCN(C)C2=O)nn1 ZINC000714889918 712499038 /nfs/dbraw/zinc/49/90/38/712499038.db2.gz UIVCATYTKVVOQL-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cn(CC)nn1 ZINC000714935689 712500430 /nfs/dbraw/zinc/50/04/30/712500430.db2.gz NLWCYHAYNCMEDS-SECBINFHSA-N 1 2 239.323 0.254 20 0 BCADLO c1cc(C[NH2+]CCc2nnc3ccccn32)[nH]n1 ZINC000036900160 712513515 /nfs/dbraw/zinc/51/35/15/712513515.db2.gz WVGFIAAWNKQAOH-UHFFFAOYSA-N 1 2 242.286 0.785 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715528400 712526097 /nfs/dbraw/zinc/52/60/97/712526097.db2.gz ATTSAWBTGUYVIJ-UPJWGTAASA-N 1 2 241.331 0.637 20 0 BCADLO OC[C@@H]1COCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715528400 712526098 /nfs/dbraw/zinc/52/60/98/712526098.db2.gz ATTSAWBTGUYVIJ-UPJWGTAASA-N 1 2 241.331 0.637 20 0 BCADLO CCCn1cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000715897713 712541360 /nfs/dbraw/zinc/54/13/60/712541360.db2.gz RXAJQOLSIHUGPC-GDPRMGEGSA-N 1 2 240.307 0.098 20 0 BCADLO O=C1C[C@@H]([NH2+]Cc2c[nH]cn2)CN1CC1CC1 ZINC000716758826 712572401 /nfs/dbraw/zinc/57/24/01/712572401.db2.gz PRTFKKUGEQWWFE-SNVBAGLBSA-N 1 2 234.303 0.510 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000379845437 712616826 /nfs/dbraw/zinc/61/68/26/712616826.db2.gz FCAXTJKLOUQTQP-SECBINFHSA-N 1 2 233.271 0.927 20 0 BCADLO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@H+]1C ZINC000379845437 712616827 /nfs/dbraw/zinc/61/68/27/712616827.db2.gz FCAXTJKLOUQTQP-SECBINFHSA-N 1 2 233.271 0.927 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC12CCCC2 ZINC000869126924 712622906 /nfs/dbraw/zinc/62/29/06/712622906.db2.gz HSHRUQNBHFKZKQ-SNVBAGLBSA-N 1 2 235.287 0.988 20 0 BCADLO Cn1cnc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC000880523639 712633574 /nfs/dbraw/zinc/63/35/74/712633574.db2.gz JQCKQSHVRMVCEO-JQWIXIFHSA-N 1 2 248.330 0.521 20 0 BCADLO Cn1cnc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC000880523639 712633576 /nfs/dbraw/zinc/63/35/76/712633576.db2.gz JQCKQSHVRMVCEO-JQWIXIFHSA-N 1 2 248.330 0.521 20 0 BCADLO COc1ccc[nH+]c1NC[C@H](O)[C@H](C)O ZINC000717387776 712653331 /nfs/dbraw/zinc/65/33/31/712653331.db2.gz UGTCLKFKBFJOFD-YUMQZZPRSA-N 1 2 212.249 0.244 20 0 BCADLO CNc1cc(N2C[C@@H](O)C[C@@H]2C)nc[nH+]1 ZINC000384828340 712700958 /nfs/dbraw/zinc/70/09/58/712700958.db2.gz UVFWDMWMTKAFFA-YUMQZZPRSA-N 1 2 208.265 0.478 20 0 BCADLO CNc1cc(N2C[C@@H](O)C[C@@H]2C)[nH+]cn1 ZINC000384828340 712700959 /nfs/dbraw/zinc/70/09/59/712700959.db2.gz UVFWDMWMTKAFFA-YUMQZZPRSA-N 1 2 208.265 0.478 20 0 BCADLO O=C1C[C@@H](C[N@@H+]2CCC[C@H]2c2nnc[nH]2)CN1 ZINC000931143552 712713466 /nfs/dbraw/zinc/71/34/66/712713466.db2.gz XNSXSBCERXVUNP-BDAKNGLRSA-N 1 2 235.291 0.078 20 0 BCADLO O=C1C[C@@H](C[N@H+]2CCC[C@H]2c2nnc[nH]2)CN1 ZINC000931143552 712713467 /nfs/dbraw/zinc/71/34/67/712713467.db2.gz XNSXSBCERXVUNP-BDAKNGLRSA-N 1 2 235.291 0.078 20 0 BCADLO CCc1nnc(C[NH2+][C@]23C[C@H]2COC3)s1 ZINC000717998326 712735169 /nfs/dbraw/zinc/73/51/69/712735169.db2.gz KYCOTWNJGRLJEH-XVKPBYJWSA-N 1 2 225.317 0.979 20 0 BCADLO CCn1ncnc1C[NH2+][C@]12C[C@H]1COC2 ZINC000718081344 712741705 /nfs/dbraw/zinc/74/17/05/712741705.db2.gz ZSVZJFGCNXENFG-WPRPVWTQSA-N 1 2 208.265 0.177 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCO[C@H](C)CC1 ZINC000720472551 712845503 /nfs/dbraw/zinc/84/55/03/712845503.db2.gz MBNYPPLZEOPDBN-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCO[C@H](C)CC1 ZINC000720472551 712845504 /nfs/dbraw/zinc/84/55/04/712845504.db2.gz MBNYPPLZEOPDBN-MRVPVSSYSA-N 1 2 238.291 0.683 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001037985268 712895574 /nfs/dbraw/zinc/89/55/74/712895574.db2.gz IMJVCHLJIWXFPX-NSHDSACASA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001037985268 712895576 /nfs/dbraw/zinc/89/55/76/712895576.db2.gz IMJVCHLJIWXFPX-NSHDSACASA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001037980541 712895832 /nfs/dbraw/zinc/89/58/32/712895832.db2.gz MIARZDJADZGFIT-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001037980541 712895831 /nfs/dbraw/zinc/89/58/31/712895831.db2.gz MIARZDJADZGFIT-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000407965545 136208583 /nfs/dbraw/zinc/20/85/83/136208583.db2.gz WBFPHSFNOGNRSX-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO CC(C)OCCNC(=O)Cc1c[nH+]cn1C ZINC000673070190 538905018 /nfs/dbraw/zinc/90/50/18/538905018.db2.gz NWTPIYLXNDZKKW-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000407947933 136207139 /nfs/dbraw/zinc/20/71/39/136207139.db2.gz LPLLUWINIBBRGD-VIFPVBQESA-N 1 2 210.281 0.632 20 0 BCADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000407947933 136207140 /nfs/dbraw/zinc/20/71/40/136207140.db2.gz LPLLUWINIBBRGD-VIFPVBQESA-N 1 2 210.281 0.632 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC000407948428 136207248 /nfs/dbraw/zinc/20/72/48/136207248.db2.gz HLRMQVMLZQATSI-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC000407948428 136207249 /nfs/dbraw/zinc/20/72/49/136207249.db2.gz HLRMQVMLZQATSI-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1c[nH+]cn1C ZINC000548585624 398138262 /nfs/dbraw/zinc/13/82/62/398138262.db2.gz KZZMZXZBTQCWEZ-SNVBAGLBSA-N 1 2 225.292 0.240 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000175029186 365524232 /nfs/dbraw/zinc/52/42/32/365524232.db2.gz BTIZOCHURSHTEV-JTQLQIEISA-N 1 2 214.309 0.574 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602130653 349457972 /nfs/dbraw/zinc/45/79/72/349457972.db2.gz OJGKGUPAMWKVRL-KCWFYHRYSA-N 1 2 246.376 0.354 20 0 BCADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602130653 349457974 /nfs/dbraw/zinc/45/79/74/349457974.db2.gz OJGKGUPAMWKVRL-KCWFYHRYSA-N 1 2 246.376 0.354 20 0 BCADLO CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000086021077 136211839 /nfs/dbraw/zinc/21/18/39/136211839.db2.gz SGWIHIIFGASONX-UHFFFAOYSA-N 1 2 202.217 0.627 20 0 BCADLO C[C@H](CC(=O)N[C@H]1CCOC1)n1cc[nH+]c1 ZINC000649859550 398143821 /nfs/dbraw/zinc/14/38/21/398143821.db2.gz OUSXULHOVCAMGY-ZJUUUORDSA-N 1 2 223.276 0.739 20 0 BCADLO CCC(CC)(C[NH2+]Cc1c[nH]nn1)C(=O)OC ZINC000294881297 168325335 /nfs/dbraw/zinc/32/53/35/168325335.db2.gz FGSNOVWSXZLPSH-UHFFFAOYSA-N 1 2 240.307 0.874 20 0 BCADLO CCC(CC)(C[NH2+]Cc1cn[nH]n1)C(=O)OC ZINC000294881297 168325338 /nfs/dbraw/zinc/32/53/38/168325338.db2.gz FGSNOVWSXZLPSH-UHFFFAOYSA-N 1 2 240.307 0.874 20 0 BCADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)[nH]1 ZINC000340582681 398146726 /nfs/dbraw/zinc/14/67/26/398146726.db2.gz AEYWWXDKSLKQIW-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO CC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)[nH]1 ZINC000340582681 398146728 /nfs/dbraw/zinc/14/67/28/398146728.db2.gz AEYWWXDKSLKQIW-UHFFFAOYSA-N 1 2 232.243 0.870 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000161982404 538920077 /nfs/dbraw/zinc/92/00/77/538920077.db2.gz RPYWYBVURBAIKU-JTQLQIEISA-N 1 2 220.276 0.316 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000161982404 538920079 /nfs/dbraw/zinc/92/00/79/538920079.db2.gz RPYWYBVURBAIKU-JTQLQIEISA-N 1 2 220.276 0.316 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649867804 398150962 /nfs/dbraw/zinc/15/09/62/398150962.db2.gz SHLHNHPCIOVPRP-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649867804 398150966 /nfs/dbraw/zinc/15/09/66/398150966.db2.gz SHLHNHPCIOVPRP-DTWKUNHWSA-N 1 2 243.307 0.980 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)CCn1cc[nH+]c1 ZINC000299683722 398152151 /nfs/dbraw/zinc/15/21/51/398152151.db2.gz UHOJLJIZYJWJQY-LLVKDONJSA-N 1 2 247.302 0.675 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340655979 398154383 /nfs/dbraw/zinc/15/43/83/398154383.db2.gz BQLCVCWHMUTCSP-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340655979 398154386 /nfs/dbraw/zinc/15/43/86/398154386.db2.gz BQLCVCWHMUTCSP-JTQLQIEISA-N 1 2 235.287 0.780 20 0 BCADLO COCc1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649869515 398155014 /nfs/dbraw/zinc/15/50/14/398155014.db2.gz FYYVPZBKAZSWRQ-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649869515 398155017 /nfs/dbraw/zinc/15/50/17/398155017.db2.gz FYYVPZBKAZSWRQ-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO C[C@H](CCO)[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000649869614 398155902 /nfs/dbraw/zinc/15/59/02/398155902.db2.gz IGWWSGUARHZGSF-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO C[C@H](CCO)[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000649869614 398155908 /nfs/dbraw/zinc/15/59/08/398155908.db2.gz IGWWSGUARHZGSF-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO Cc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)n(C)n1 ZINC000284838888 178015977 /nfs/dbraw/zinc/01/59/77/178015977.db2.gz ZEFRTBFPYUMPFL-UHFFFAOYSA-N 1 2 233.275 0.690 20 0 BCADLO COCC1(O)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000450682831 398169530 /nfs/dbraw/zinc/16/95/30/398169530.db2.gz QZCGOKIHDFHWOA-UHFFFAOYSA-N 1 2 248.286 0.464 20 0 BCADLO C[C@@H]1COCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000408438186 398170181 /nfs/dbraw/zinc/17/01/81/398170181.db2.gz GHVXPECAHNQLGT-RKDXNWHRSA-N 1 2 236.271 0.820 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1C1CC1 ZINC000303261616 136215208 /nfs/dbraw/zinc/21/52/08/136215208.db2.gz OOSMBUPBGLCKGA-LLVKDONJSA-N 1 2 236.319 0.878 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)C2)n1C1CC1 ZINC000303261616 136215209 /nfs/dbraw/zinc/21/52/09/136215209.db2.gz OOSMBUPBGLCKGA-LLVKDONJSA-N 1 2 236.319 0.878 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000305753085 136215427 /nfs/dbraw/zinc/21/54/27/136215427.db2.gz UEFKORGDCZFDBL-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000305753085 136215428 /nfs/dbraw/zinc/21/54/28/136215428.db2.gz UEFKORGDCZFDBL-LLVKDONJSA-N 1 2 238.335 0.953 20 0 BCADLO Cc1cc(C[NH2+][C@@H]2CCCN(C)C2=O)no1 ZINC000335705636 178034205 /nfs/dbraw/zinc/03/42/05/178034205.db2.gz IZVDOWNKRSIYTQ-SNVBAGLBSA-N 1 2 223.276 0.693 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](CC)CC(=O)N(C)C ZINC000084120681 343980529 /nfs/dbraw/zinc/98/05/29/343980529.db2.gz VOVZNHJCMGSUCO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](CC)CC(=O)N(C)C ZINC000084120681 343980531 /nfs/dbraw/zinc/98/05/31/343980531.db2.gz VOVZNHJCMGSUCO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO CCOC(=O)[C@H](CC)[N@H+](CC)CC(=O)N(C)C ZINC000084120678 343980604 /nfs/dbraw/zinc/98/06/04/343980604.db2.gz VOVZNHJCMGSUCO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO CCOC(=O)[C@H](CC)[N@@H+](CC)CC(=O)N(C)C ZINC000084120678 343980606 /nfs/dbraw/zinc/98/06/06/343980606.db2.gz VOVZNHJCMGSUCO-JTQLQIEISA-N 1 2 244.335 0.738 20 0 BCADLO Cc1cc(C[C@@H](C)NC(=O)C[NH+](C)C)n[nH]1 ZINC000161858055 178054677 /nfs/dbraw/zinc/05/46/77/178054677.db2.gz JHNBQTIFRKWYRN-MRVPVSSYSA-N 1 2 224.308 0.327 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882794 398163389 /nfs/dbraw/zinc/16/33/89/398163389.db2.gz CKYCZZGUUPSGKA-ZYHUDNBSSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882794 398163394 /nfs/dbraw/zinc/16/33/94/398163394.db2.gz CKYCZZGUUPSGKA-ZYHUDNBSSA-N 1 2 239.319 0.564 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885049 398163450 /nfs/dbraw/zinc/16/34/50/398163450.db2.gz GYVADIQJPCEHJT-JQWIXIFHSA-N 1 2 239.319 0.564 20 0 BCADLO C[C@H](O)CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885049 398163452 /nfs/dbraw/zinc/16/34/52/398163452.db2.gz GYVADIQJPCEHJT-JQWIXIFHSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882791 398163684 /nfs/dbraw/zinc/16/36/84/398163684.db2.gz CKYCZZGUUPSGKA-CMPLNLGQSA-N 1 2 239.319 0.564 20 0 BCADLO CC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882791 398163688 /nfs/dbraw/zinc/16/36/88/398163688.db2.gz CKYCZZGUUPSGKA-CMPLNLGQSA-N 1 2 239.319 0.564 20 0 BCADLO CCOc1cc(N2CCOCCN2)[nH+]cn1 ZINC000408456695 398188840 /nfs/dbraw/zinc/18/88/40/398188840.db2.gz KKIQWGUQZIQXDB-UHFFFAOYSA-N 1 2 224.264 0.217 20 0 BCADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)on1 ZINC000073021210 398191035 /nfs/dbraw/zinc/19/10/35/398191035.db2.gz GDCYPKJNIWMPEP-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)on1 ZINC000073021210 398191037 /nfs/dbraw/zinc/19/10/37/398191037.db2.gz GDCYPKJNIWMPEP-SNVBAGLBSA-N 1 2 223.276 0.823 20 0 BCADLO Cc1cc(N(C)C[C@@H](O)C2CC2)nc[nH+]1 ZINC000301548709 178099244 /nfs/dbraw/zinc/09/92/44/178099244.db2.gz PWYVNOBDDRDOHC-SNVBAGLBSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1ccc(O)c(C[NH2+]Cc2cnn[nH]2)n1 ZINC000398294519 398195141 /nfs/dbraw/zinc/19/51/41/398195141.db2.gz IKRYOAGHYGQJBU-UHFFFAOYSA-N 1 2 219.248 0.504 20 0 BCADLO Cc1cc(N)nc(S[C@@H]2CCOC2=O)[nH+]1 ZINC000007047763 178109215 /nfs/dbraw/zinc/10/92/15/178109215.db2.gz KNCDEDAYVHBOEV-ZCFIWIBFSA-N 1 2 225.273 0.775 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccon1 ZINC000162299967 538922176 /nfs/dbraw/zinc/92/21/76/538922176.db2.gz DHDGUSUFIIETEK-MRVPVSSYSA-N 1 2 232.305 0.587 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@@H]1OC ZINC000408464411 398198775 /nfs/dbraw/zinc/19/87/75/398198775.db2.gz GEHIZINDWLFZBI-UJNFCWOMSA-N 1 2 240.307 0.520 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@@H]1OC ZINC000408464411 398198780 /nfs/dbraw/zinc/19/87/80/398198780.db2.gz GEHIZINDWLFZBI-UJNFCWOMSA-N 1 2 240.307 0.520 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCn1cccc1 ZINC000558646314 398184675 /nfs/dbraw/zinc/18/46/75/398184675.db2.gz FKSYPPCGDQFWCL-UHFFFAOYSA-N 1 2 218.260 0.501 20 0 BCADLO CN(C(=O)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000558646438 398184781 /nfs/dbraw/zinc/18/47/81/398184781.db2.gz IHSQDIBJFDSVSV-UHFFFAOYSA-N 1 2 219.248 0.280 20 0 BCADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CO)on1 ZINC000050115473 178129782 /nfs/dbraw/zinc/12/97/82/178129782.db2.gz RIPNRRWWKIGIOE-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CO)on1 ZINC000050115473 178129785 /nfs/dbraw/zinc/12/97/85/178129785.db2.gz RIPNRRWWKIGIOE-SECBINFHSA-N 1 2 239.275 0.378 20 0 BCADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290015 192027616 /nfs/dbraw/zinc/02/76/16/192027616.db2.gz DDOKRFUDCPAHLY-DTWKUNHWSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@H]1CC[C@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000429290015 192027617 /nfs/dbraw/zinc/02/76/17/192027617.db2.gz DDOKRFUDCPAHLY-DTWKUNHWSA-N 1 2 222.292 0.730 20 0 BCADLO Cc1cc(NC(=O)N(C)CCO)cc[nH+]1 ZINC000119630005 178135922 /nfs/dbraw/zinc/13/59/22/178135922.db2.gz XLFOOJLDYGWRGH-UHFFFAOYSA-N 1 2 209.249 0.846 20 0 BCADLO Cc1cc(NC(=O)N2CC(CO)C2)cc[nH+]1 ZINC000186630935 178136552 /nfs/dbraw/zinc/13/65/52/178136552.db2.gz JJGQFIKQVKPSHB-UHFFFAOYSA-N 1 2 221.260 0.846 20 0 BCADLO Cc1cc(NC(=O)N[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000271171704 178142315 /nfs/dbraw/zinc/14/23/15/178142315.db2.gz YCYGGALWZFPRAH-JTQLQIEISA-N 1 2 248.286 0.742 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCc1c[nH+]c[nH]1 ZINC000331034069 398215894 /nfs/dbraw/zinc/21/58/94/398215894.db2.gz XQLMZBABISHGES-SNVBAGLBSA-N 1 2 211.265 0.433 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)NCc1c[nH]c[nH+]1 ZINC000331034069 398215898 /nfs/dbraw/zinc/21/58/98/398215898.db2.gz XQLMZBABISHGES-SNVBAGLBSA-N 1 2 211.265 0.433 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000299695743 398216124 /nfs/dbraw/zinc/21/61/24/398216124.db2.gz WAIGAEDKTJQQPZ-VIFPVBQESA-N 1 2 208.265 0.038 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000107216507 178147900 /nfs/dbraw/zinc/14/79/00/178147900.db2.gz BSVUWSDBNQKPGN-VIFPVBQESA-N 1 2 233.271 0.855 20 0 BCADLO Cc1cc(NCCNC(N)=O)nc(C(C)C)[nH+]1 ZINC000125304522 178161423 /nfs/dbraw/zinc/16/14/23/178161423.db2.gz RKFOTSANTWHPQQ-UHFFFAOYSA-N 1 2 237.307 0.989 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCCCS(C)(=O)=O ZINC000163364745 538928138 /nfs/dbraw/zinc/92/81/38/538928138.db2.gz NXAGXVWUVVOOJX-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCCCS(C)(=O)=O ZINC000163364745 538928139 /nfs/dbraw/zinc/92/81/39/538928139.db2.gz NXAGXVWUVVOOJX-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO Cc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)nc[nH+]1 ZINC000301648259 178169547 /nfs/dbraw/zinc/16/95/47/178169547.db2.gz OSPDDYYMPUSKJP-BDAKNGLRSA-N 1 2 236.275 0.230 20 0 BCADLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nnc1C ZINC000302252156 178170014 /nfs/dbraw/zinc/17/00/14/178170014.db2.gz AQJHVLRELRKTLY-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nnc1C ZINC000302252156 178170016 /nfs/dbraw/zinc/17/00/16/178170016.db2.gz AQJHVLRELRKTLY-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(N[C@@H](CO)C2CCOCC2)nc[nH+]1 ZINC000360174336 178180893 /nfs/dbraw/zinc/18/08/93/178180893.db2.gz JLHWHGGQRZWOMX-NSHDSACASA-N 1 2 237.303 0.984 20 0 BCADLO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2=O)nc[nH+]1 ZINC000301643913 178181043 /nfs/dbraw/zinc/18/10/43/178181043.db2.gz OMXBCTXOPDZDQP-SECBINFHSA-N 1 2 248.286 0.733 20 0 BCADLO Cc1cc(N[C@H](C)C(=O)NCCF)nc[nH+]1 ZINC000309833949 178185096 /nfs/dbraw/zinc/18/50/96/178185096.db2.gz ZKZVUYGBHHYMCT-MRVPVSSYSA-N 1 2 226.255 0.671 20 0 BCADLO Cc1cc(N[C@H](CO)C2CCOCC2)nc[nH+]1 ZINC000360174331 178186903 /nfs/dbraw/zinc/18/69/03/178186903.db2.gz JLHWHGGQRZWOMX-LLVKDONJSA-N 1 2 237.303 0.984 20 0 BCADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ncnn1C ZINC000387244346 398229462 /nfs/dbraw/zinc/22/94/62/398229462.db2.gz XRKXXVOUGXZJST-VIFPVBQESA-N 1 2 239.323 0.065 20 0 BCADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@@H](C)O ZINC000387316073 398229742 /nfs/dbraw/zinc/22/97/42/398229742.db2.gz BWUWJYAQEAFVNW-IYSWYEEDSA-N 1 2 211.269 0.164 20 0 BCADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)[C@@H](C)O ZINC000387316073 398229743 /nfs/dbraw/zinc/22/97/43/398229743.db2.gz BWUWJYAQEAFVNW-IYSWYEEDSA-N 1 2 211.269 0.164 20 0 BCADLO CC1(C)C[NH+](CC(=O)NC(N)=O)CC(C)(C)O1 ZINC000190535609 398228455 /nfs/dbraw/zinc/22/84/55/398228455.db2.gz IEYYIYPNRCORLG-UHFFFAOYSA-N 1 2 243.307 0.071 20 0 BCADLO C[C@@H]1C[NH+](CCc2cn(C)nn2)C[C@@H](C)C1=O ZINC000625555337 343988446 /nfs/dbraw/zinc/98/84/46/343988446.db2.gz UANQUSNBISGCRT-NXEZZACHSA-N 1 2 236.319 0.515 20 0 BCADLO CCN(CC)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819098 361769396 /nfs/dbraw/zinc/76/93/96/361769396.db2.gz AZVNFUDCANLXDT-UHFFFAOYSA-N 1 2 246.336 0.428 20 0 BCADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184147 136224143 /nfs/dbraw/zinc/22/41/43/136224143.db2.gz GNINWXMWVSVRFW-RKDXNWHRSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)C1CC1 ZINC000334184147 136224144 /nfs/dbraw/zinc/22/41/44/136224144.db2.gz GNINWXMWVSVRFW-RKDXNWHRSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CC2)[C@@H](C)C[N@@H+]1C ZINC000334184135 136224203 /nfs/dbraw/zinc/22/42/03/136224203.db2.gz GNINWXMWVSVRFW-BDAKNGLRSA-N 1 2 232.349 0.503 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)C2CC2)[C@@H](C)C[N@H+]1C ZINC000334184135 136224204 /nfs/dbraw/zinc/22/42/04/136224204.db2.gz GNINWXMWVSVRFW-BDAKNGLRSA-N 1 2 232.349 0.503 20 0 BCADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)nn1C ZINC000282140457 178222453 /nfs/dbraw/zinc/22/24/53/178222453.db2.gz KNSZQZMIHNGHPS-SNVBAGLBSA-N 1 2 238.335 0.904 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Cn1cccn1 ZINC000334255062 136224720 /nfs/dbraw/zinc/22/47/20/136224720.db2.gz DYVNYSLHKYYKNF-UHFFFAOYSA-N 1 2 216.244 0.647 20 0 BCADLO Cc1cccc(CCNC(=O)Cn2cc[nH+]c2)n1 ZINC000279828242 538936791 /nfs/dbraw/zinc/93/67/91/538936791.db2.gz DXIMCQRWKSLYCZ-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO CC(C)(C[NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000150959020 398235462 /nfs/dbraw/zinc/23/54/62/398235462.db2.gz RDLRECQBTONAGD-UHFFFAOYSA-N 1 2 233.275 0.881 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCCOCC1CC1 ZINC000280451305 538937337 /nfs/dbraw/zinc/93/73/37/538937337.db2.gz GGWMQORLMZWUBR-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCCOCC1CC1 ZINC000280451305 538937338 /nfs/dbraw/zinc/93/73/38/538937338.db2.gz GGWMQORLMZWUBR-UHFFFAOYSA-N 1 2 237.303 0.885 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602437426 349524791 /nfs/dbraw/zinc/52/47/91/349524791.db2.gz XEZPGAMWCFOKPF-JTQLQIEISA-N 1 2 236.271 0.925 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000602437426 349524795 /nfs/dbraw/zinc/52/47/95/349524795.db2.gz XEZPGAMWCFOKPF-JTQLQIEISA-N 1 2 236.271 0.925 20 0 BCADLO CC[C@@H](C)[C@@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000381183482 398233638 /nfs/dbraw/zinc/23/36/38/398233638.db2.gz RPZDNMSUCUAXJX-VXNVDRBHSA-N 1 2 239.323 0.487 20 0 BCADLO CC[C@@H](C)[C@@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000381183482 398233640 /nfs/dbraw/zinc/23/36/40/398233640.db2.gz RPZDNMSUCUAXJX-VXNVDRBHSA-N 1 2 239.323 0.487 20 0 BCADLO CCc1cc(N)nc(S[C@@H](CC)C(N)=O)[nH+]1 ZINC000279071471 538935151 /nfs/dbraw/zinc/93/51/51/538935151.db2.gz KCJSATIIFOKIMX-ZETCQYMHSA-N 1 2 240.332 0.977 20 0 BCADLO Cc1cc([C@H](C)NC[C@H]2C[N@H+](C)CCO2)no1 ZINC000282876929 178249941 /nfs/dbraw/zinc/24/99/41/178249941.db2.gz VNKMXVFWWGJOLG-QWRGUYRKSA-N 1 2 239.319 0.964 20 0 BCADLO Cc1cc([C@H](C)NC[C@H]2C[N@@H+](C)CCO2)no1 ZINC000282876929 178249943 /nfs/dbraw/zinc/24/99/43/178249943.db2.gz VNKMXVFWWGJOLG-QWRGUYRKSA-N 1 2 239.319 0.964 20 0 BCADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)on1 ZINC000335294671 398238239 /nfs/dbraw/zinc/23/82/39/398238239.db2.gz DUFXIDOEGVDECF-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1cc([C@H]2CCC[N@@H+]2CC(N)=O)on1 ZINC000047273993 178266368 /nfs/dbraw/zinc/26/63/68/178266368.db2.gz CRACWGHGZWFPPO-MRVPVSSYSA-N 1 2 209.249 0.605 20 0 BCADLO Cc1cc([C@H]2CCC[N@H+]2CC(N)=O)on1 ZINC000047273993 178266373 /nfs/dbraw/zinc/26/63/73/178266373.db2.gz CRACWGHGZWFPPO-MRVPVSSYSA-N 1 2 209.249 0.605 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1ccncc1 ZINC000076417336 398239505 /nfs/dbraw/zinc/23/95/05/398239505.db2.gz ZALNLFPZZNIKKH-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccncc1 ZINC000076417336 398239508 /nfs/dbraw/zinc/23/95/08/398239508.db2.gz ZALNLFPZZNIKKH-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO CCn1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000576520763 365617228 /nfs/dbraw/zinc/61/72/28/365617228.db2.gz SCDBBCGDRCIPJA-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285647263 538941606 /nfs/dbraw/zinc/94/16/06/538941606.db2.gz MAUUGQIGGOMFTQ-YUMQZZPRSA-N 1 2 210.281 0.585 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc[nH]c1 ZINC000284640872 538940258 /nfs/dbraw/zinc/94/02/58/538940258.db2.gz MLGINRQEUXTQQL-BDAKNGLRSA-N 1 2 211.240 0.412 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc[nH]c1 ZINC000284640872 538940259 /nfs/dbraw/zinc/94/02/59/538940259.db2.gz MLGINRQEUXTQQL-BDAKNGLRSA-N 1 2 211.240 0.412 20 0 BCADLO COc1cc[nH+]cc1Cn1cc(C(N)=O)cn1 ZINC000576545236 365623675 /nfs/dbraw/zinc/62/36/75/365623675.db2.gz FUKRRTIUYFXOJY-UHFFFAOYSA-N 1 2 232.243 0.434 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000576648134 365650571 /nfs/dbraw/zinc/65/05/71/365650571.db2.gz JDPMTQCQPCUJCB-NXEZZACHSA-N 1 2 237.303 0.680 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH2+]Cc1nnn(C)n1)OC ZINC000381272447 398249907 /nfs/dbraw/zinc/24/99/07/398249907.db2.gz IEYOTFFNAGXDRE-RKDXNWHRSA-N 1 2 227.312 0.361 20 0 BCADLO CC(C)[N@H+](CC(=O)Nc1ccncc1)C1COC1 ZINC000576671855 365654045 /nfs/dbraw/zinc/65/40/45/365654045.db2.gz JTSMETAVKDZKSL-UHFFFAOYSA-N 1 2 249.314 0.551 20 0 BCADLO CC(C)[N@@H+](CC(=O)Nc1ccncc1)C1COC1 ZINC000576671855 365654047 /nfs/dbraw/zinc/65/40/47/365654047.db2.gz JTSMETAVKDZKSL-UHFFFAOYSA-N 1 2 249.314 0.551 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000280688253 178313666 /nfs/dbraw/zinc/31/36/66/178313666.db2.gz FIOJLRYQDYYIFL-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000280688253 178313668 /nfs/dbraw/zinc/31/36/68/178313668.db2.gz FIOJLRYQDYYIFL-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1cc[nH]c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000281337284 178313700 /nfs/dbraw/zinc/31/37/00/178313700.db2.gz QKSGIPDJDYPZBY-LLVKDONJSA-N 1 2 248.330 0.053 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000286383604 538944074 /nfs/dbraw/zinc/94/40/74/538944074.db2.gz MEXMGMQAYPMYNQ-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000286383604 538944075 /nfs/dbraw/zinc/94/40/75/538944075.db2.gz MEXMGMQAYPMYNQ-VIFPVBQESA-N 1 2 225.292 0.836 20 0 BCADLO CCn1cc(NC(=O)NCc2c[nH+]cn2C)cn1 ZINC000290127299 538945945 /nfs/dbraw/zinc/94/59/45/538945945.db2.gz FHYOFQDJIBMCMN-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO Cc1ncc(NC(=O)NCc2c[nH+]cn2C)cn1 ZINC000290136515 538946191 /nfs/dbraw/zinc/94/61/91/538946191.db2.gz FVOOJUKJCQLYQL-UHFFFAOYSA-N 1 2 246.274 0.840 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccnn1C ZINC000291105471 538947669 /nfs/dbraw/zinc/94/76/69/538947669.db2.gz BYXDGIYKSZIMIL-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000576706103 365666207 /nfs/dbraw/zinc/66/62/07/365666207.db2.gz ATXYOPRYKBTXHN-PWSUYJOCSA-N 1 2 249.314 0.898 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290648304 538946867 /nfs/dbraw/zinc/94/68/67/538946867.db2.gz INGSYXAZCSXNBS-RKDXNWHRSA-N 1 2 222.292 0.875 20 0 BCADLO C[N@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000098130055 398261565 /nfs/dbraw/zinc/26/15/65/398261565.db2.gz RTZFSYCUNZFSJN-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO C[N@@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000098130055 398261567 /nfs/dbraw/zinc/26/15/67/398261567.db2.gz RTZFSYCUNZFSJN-SNVBAGLBSA-N 1 2 243.332 0.002 20 0 BCADLO CC[C@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000291512215 538948049 /nfs/dbraw/zinc/94/80/49/538948049.db2.gz UDEIFSFDPDIBDS-QWRGUYRKSA-N 1 2 237.303 0.994 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(C)(C)O1 ZINC000291538797 538948127 /nfs/dbraw/zinc/94/81/27/538948127.db2.gz XFDVFIZPMIQOMO-SNVBAGLBSA-N 1 2 237.303 0.994 20 0 BCADLO CN(C)c1noc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000185249105 398262207 /nfs/dbraw/zinc/26/22/07/398262207.db2.gz IROPQTJHJWVAPY-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CN(C)c1noc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000185249105 398262208 /nfs/dbraw/zinc/26/22/08/398262208.db2.gz IROPQTJHJWVAPY-SECBINFHSA-N 1 2 240.307 0.746 20 0 BCADLO CCC[C@H](C[N@H+](C)CC(=O)OC)OC ZINC000602443800 349545344 /nfs/dbraw/zinc/54/53/44/349545344.db2.gz WAFMFPJCZKDCLK-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO CCC[C@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602443800 349545348 /nfs/dbraw/zinc/54/53/48/349545348.db2.gz WAFMFPJCZKDCLK-SECBINFHSA-N 1 2 203.282 0.906 20 0 BCADLO Cc1nc(NCCC[S@@](C)=O)cc[nH+]1 ZINC000127184886 343998983 /nfs/dbraw/zinc/99/89/83/343998983.db2.gz VRLMFFCHPUBIKM-AWEZNQCLSA-N 1 2 213.306 0.966 20 0 BCADLO C[C@H]1CN(CC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177278044 538951515 /nfs/dbraw/zinc/95/15/15/538951515.db2.gz RMDNSJGBMRDWOV-UWVGGRQHSA-N 1 2 234.290 0.904 20 0 BCADLO COCCN1CC[C@H]([NH2+]CC(C)(F)F)C1 ZINC000378774560 346831945 /nfs/dbraw/zinc/83/19/45/346831945.db2.gz HEIPHTOGEOAMMJ-VIFPVBQESA-N 1 2 222.279 0.952 20 0 BCADLO CCc1nn(C)cc1C[N@H+](C)CC(=O)N(C)C ZINC000179589270 538955292 /nfs/dbraw/zinc/95/52/92/538955292.db2.gz RRLPQQFQALSDAF-UHFFFAOYSA-N 1 2 238.335 0.503 20 0 BCADLO CCc1nn(C)cc1C[N@@H+](C)CC(=O)N(C)C ZINC000179589270 538955294 /nfs/dbraw/zinc/95/52/94/538955294.db2.gz RRLPQQFQALSDAF-UHFFFAOYSA-N 1 2 238.335 0.503 20 0 BCADLO CCCCC[N@H+](CC(N)=O)Cc1cncnc1 ZINC000180803012 538959220 /nfs/dbraw/zinc/95/92/20/538959220.db2.gz RHQGLQVZZJGKHS-UHFFFAOYSA-N 1 2 236.319 0.954 20 0 BCADLO CCCCC[N@@H+](CC(N)=O)Cc1cncnc1 ZINC000180803012 538959222 /nfs/dbraw/zinc/95/92/22/538959222.db2.gz RHQGLQVZZJGKHS-UHFFFAOYSA-N 1 2 236.319 0.954 20 0 BCADLO COC(=O)[C@@H](C)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000600153405 342691975 /nfs/dbraw/zinc/69/19/75/342691975.db2.gz LASHUAHKEOIKDO-MRVPVSSYSA-N 1 2 211.265 0.711 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)[C@@H]1SC ZINC000600177855 342696944 /nfs/dbraw/zinc/69/69/44/342696944.db2.gz UMTCZADHRXICFM-BBBLOLIVSA-N 1 2 242.348 0.803 20 0 BCADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)[C@@H]1SC ZINC000600177855 342696946 /nfs/dbraw/zinc/69/69/46/342696946.db2.gz UMTCZADHRXICFM-BBBLOLIVSA-N 1 2 242.348 0.803 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000162232083 349614384 /nfs/dbraw/zinc/61/43/84/349614384.db2.gz KTSFTZHVPDBPIW-MRVPVSSYSA-N 1 2 246.332 0.896 20 0 BCADLO CC(C)Cn1cc[nH+]c1CN1C(=O)CNC1=O ZINC000348688532 136236723 /nfs/dbraw/zinc/23/67/23/136236723.db2.gz VUHMERWWOOTMKC-UHFFFAOYSA-N 1 2 236.275 0.591 20 0 BCADLO c1csc(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000348776830 136238522 /nfs/dbraw/zinc/23/85/22/136238522.db2.gz SHHMZCPXSABKLM-JTQLQIEISA-N 1 2 239.344 0.660 20 0 BCADLO c1csc(C[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000348776830 136238523 /nfs/dbraw/zinc/23/85/23/136238523.db2.gz SHHMZCPXSABKLM-JTQLQIEISA-N 1 2 239.344 0.660 20 0 BCADLO CCCC[N@H+](CCO)Cc1nncn1C ZINC000111364638 346862682 /nfs/dbraw/zinc/86/26/82/346862682.db2.gz LBEHZZUXNLUTNO-UHFFFAOYSA-N 1 2 212.297 0.410 20 0 BCADLO CCCC[N@@H+](CCO)Cc1nncn1C ZINC000111364638 346862684 /nfs/dbraw/zinc/86/26/84/346862684.db2.gz LBEHZZUXNLUTNO-UHFFFAOYSA-N 1 2 212.297 0.410 20 0 BCADLO C[C@@H](NC(=O)CCc1cn[nH]c1)c1[nH+]ccn1C ZINC000630015605 361902628 /nfs/dbraw/zinc/90/26/28/361902628.db2.gz BIJUBWIUADOPAM-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO C/C=C/CNc1nc[nH+]c2c1OCCN2 ZINC000624656189 342810148 /nfs/dbraw/zinc/81/01/48/342810148.db2.gz IOAXDDNIXKAFAM-NSCUHMNNSA-N 1 2 206.249 0.381 20 0 BCADLO C/C=C/CNc1[nH+]cnc2c1OCCN2 ZINC000624656189 342810150 /nfs/dbraw/zinc/81/01/50/342810150.db2.gz IOAXDDNIXKAFAM-NSCUHMNNSA-N 1 2 206.249 0.381 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)N1 ZINC000649490598 398287678 /nfs/dbraw/zinc/28/76/78/398287678.db2.gz LCPREWDDWZUTMU-MNOVXSKESA-N 1 2 248.330 0.868 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)N1 ZINC000649490598 398287681 /nfs/dbraw/zinc/28/76/81/398287681.db2.gz LCPREWDDWZUTMU-MNOVXSKESA-N 1 2 248.330 0.868 20 0 BCADLO Cc1cc(N[C@@H]2CCOC[C@H]2O)nc[nH+]1 ZINC000624680833 342818729 /nfs/dbraw/zinc/81/87/29/342818729.db2.gz DEMZDTLCJMAZDT-RKDXNWHRSA-N 1 2 209.249 0.347 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348809440 136239364 /nfs/dbraw/zinc/23/93/64/136239364.db2.gz OPNWPRJQLKVBJO-QWRGUYRKSA-N 1 2 242.367 0.330 20 0 BCADLO CC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348809440 136239365 /nfs/dbraw/zinc/23/93/65/136239365.db2.gz OPNWPRJQLKVBJO-QWRGUYRKSA-N 1 2 242.367 0.330 20 0 BCADLO C/C=C\CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624732229 342823623 /nfs/dbraw/zinc/82/36/23/342823623.db2.gz PVLZWTUORPBMQU-XOULXFPDSA-N 1 2 227.308 0.192 20 0 BCADLO C/C=C\CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732229 342823624 /nfs/dbraw/zinc/82/36/24/342823624.db2.gz PVLZWTUORPBMQU-XOULXFPDSA-N 1 2 227.308 0.192 20 0 BCADLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000214159418 349623118 /nfs/dbraw/zinc/62/31/18/349623118.db2.gz GLMJJJZXYNDMSH-PBKGFPTLSA-N 1 2 221.260 0.670 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc[nH]c1=O ZINC000380160615 538986591 /nfs/dbraw/zinc/98/65/91/538986591.db2.gz ANSCVJZHQDIKDZ-UHFFFAOYSA-N 1 2 232.243 0.749 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)CC ZINC000349130543 398293152 /nfs/dbraw/zinc/29/31/52/398293152.db2.gz WYZBUIVIYKLAJU-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)CC ZINC000349130543 398293154 /nfs/dbraw/zinc/29/31/54/398293154.db2.gz WYZBUIVIYKLAJU-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634414156 361932477 /nfs/dbraw/zinc/93/24/77/361932477.db2.gz LYVPFOMAMCIZNQ-WPRPVWTQSA-N 1 2 223.276 0.290 20 0 BCADLO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CO1 ZINC000402105121 349625450 /nfs/dbraw/zinc/62/54/50/349625450.db2.gz UWHRNFSNSUFKKN-JGVFFNPUSA-N 1 2 233.275 0.953 20 0 BCADLO CCc1nc(C[NH2+][C@H](C)C(N)=O)cs1 ZINC000049591198 539009319 /nfs/dbraw/zinc/00/93/19/539009319.db2.gz SQGUAHZMSKZXGQ-ZCFIWIBFSA-N 1 2 213.306 0.669 20 0 BCADLO C[C@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000051821510 539011603 /nfs/dbraw/zinc/01/16/03/539011603.db2.gz HPQOOBAMIHTBLH-VIFPVBQESA-N 1 2 247.298 0.736 20 0 BCADLO C[C@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000051821510 539011604 /nfs/dbraw/zinc/01/16/04/539011604.db2.gz HPQOOBAMIHTBLH-VIFPVBQESA-N 1 2 247.298 0.736 20 0 BCADLO CCc1cc(NC[C@@H](C)S(C)(=O)=O)nc[nH+]1 ZINC000381337534 538998846 /nfs/dbraw/zinc/99/88/46/538998846.db2.gz WIDXFSGIDLYHRY-MRVPVSSYSA-N 1 2 243.332 0.306 20 0 BCADLO CN(C)c1ccc(NCc2cn[nH]c2)[nH+]c1 ZINC000390437950 539021650 /nfs/dbraw/zinc/02/16/50/539021650.db2.gz TYXPICJDEUFVLP-UHFFFAOYSA-N 1 2 217.276 0.905 20 0 BCADLO C[C@H](CNc1cnccn1)Cn1cc[nH+]c1 ZINC000390510355 539022627 /nfs/dbraw/zinc/02/26/27/539022627.db2.gz ZGZUVPXDGSJZSO-SNVBAGLBSA-N 1 2 217.276 0.843 20 0 BCADLO COc1ccc(NCc2c[nH+]cn2C)nc1 ZINC000390586162 539026363 /nfs/dbraw/zinc/02/63/63/539026363.db2.gz YFZMQEKEFFFLBZ-UHFFFAOYSA-N 1 2 218.260 0.858 20 0 BCADLO C[C@H]([NH2+]CCn1ccccc1=O)c1ncn(C)n1 ZINC000391910046 539027898 /nfs/dbraw/zinc/02/78/98/539027898.db2.gz CKJURKAMVZPPKU-JTQLQIEISA-N 1 2 247.302 0.328 20 0 BCADLO CCCn1ncnc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000388028930 539014559 /nfs/dbraw/zinc/01/45/59/539014559.db2.gz KOBVJUXUCRXWCB-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO CCCn1ncnc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000388028930 539014560 /nfs/dbraw/zinc/01/45/60/539014560.db2.gz KOBVJUXUCRXWCB-VHSXEESVSA-N 1 2 224.308 0.501 20 0 BCADLO C([NH2+]C1CSC1)c1nnnn1C1CC1 ZINC000389260068 539015912 /nfs/dbraw/zinc/01/59/12/539015912.db2.gz GHFKJSYEHQDVEF-UHFFFAOYSA-N 1 2 211.294 0.213 20 0 BCADLO CCc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000389590122 539016756 /nfs/dbraw/zinc/01/67/56/539016756.db2.gz ABFLSQBLZFJXOY-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO CCc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000389590122 539016757 /nfs/dbraw/zinc/01/67/57/539016757.db2.gz ABFLSQBLZFJXOY-SFYZADRCSA-N 1 2 211.265 0.587 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC)CC1 ZINC000042243124 361974832 /nfs/dbraw/zinc/97/48/32/361974832.db2.gz VZFCLNWIBVCYTI-GFCCVEGCSA-N 1 2 241.379 0.881 20 0 BCADLO C([NH2+]C1CSC1)c1nnnn1CC1CC1 ZINC000389862307 539018108 /nfs/dbraw/zinc/01/81/08/539018108.db2.gz FDJWUBUYOOOYCF-UHFFFAOYSA-N 1 2 225.321 0.288 20 0 BCADLO CC[NH+](CC)Cc1cn(CC(C)=O)nn1 ZINC000640753673 361991592 /nfs/dbraw/zinc/99/15/92/361991592.db2.gz KLRFLVSDXHDUNV-UHFFFAOYSA-N 1 2 210.281 0.709 20 0 BCADLO COc1cncc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC000625044542 342844660 /nfs/dbraw/zinc/84/46/60/342844660.db2.gz BVQCXISQKXAVKG-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO COc1cncc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC000625044542 342844661 /nfs/dbraw/zinc/84/46/61/342844661.db2.gz BVQCXISQKXAVKG-UHFFFAOYSA-N 1 2 247.302 0.851 20 0 BCADLO CC(=O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000640754161 361992324 /nfs/dbraw/zinc/99/23/24/361992324.db2.gz VOUDVJZTVIPJBP-UHFFFAOYSA-N 1 2 208.265 0.463 20 0 BCADLO CC(C)[C@@H](O)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754898 361993551 /nfs/dbraw/zinc/99/35/51/361993551.db2.gz SEGUTUSGMGXKRH-JTQLQIEISA-N 1 2 235.291 0.609 20 0 BCADLO COC(=O)[C@@](C)(NCCn1cc[nH+]c1)C1CC1 ZINC000536605924 398303837 /nfs/dbraw/zinc/30/38/37/398303837.db2.gz PPZYKZWUUJPJBQ-LBPRGKRZSA-N 1 2 237.303 0.814 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)o1 ZINC000093103089 398308562 /nfs/dbraw/zinc/30/85/62/398308562.db2.gz OTJXRXBPRBEBHJ-KOLCDFICSA-N 1 2 239.271 0.696 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)o1 ZINC000093103089 398308563 /nfs/dbraw/zinc/30/85/63/398308563.db2.gz OTJXRXBPRBEBHJ-KOLCDFICSA-N 1 2 239.271 0.696 20 0 BCADLO CCc1cc(NCC(=O)NCCOC)nc[nH+]1 ZINC000134649880 342874755 /nfs/dbraw/zinc/87/47/55/342874755.db2.gz SRZOWMAIRJCLFP-UHFFFAOYSA-N 1 2 238.291 0.214 20 0 BCADLO Cc1nccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000351353922 136244626 /nfs/dbraw/zinc/24/46/26/136244626.db2.gz VKXWAGULWQNKHC-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO Cc1nccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000351353922 136244627 /nfs/dbraw/zinc/24/46/27/136244627.db2.gz VKXWAGULWQNKHC-LBPRGKRZSA-N 1 2 248.330 0.741 20 0 BCADLO CCC[C@](C)([NH2+]CCOCCO)C(=O)OC ZINC000133043291 398309478 /nfs/dbraw/zinc/30/94/78/398309478.db2.gz WAHBMQZDBUMTLE-NSHDSACASA-N 1 2 233.308 0.317 20 0 BCADLO Cn1cc(CC[N@H+](C)Cc2cscn2)nn1 ZINC000625104228 342858087 /nfs/dbraw/zinc/85/80/87/342858087.db2.gz RIWPNKLARRWKMM-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(CC[N@@H+](C)Cc2cscn2)nn1 ZINC000625104228 342858089 /nfs/dbraw/zinc/85/80/89/342858089.db2.gz RIWPNKLARRWKMM-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC23CCOCC3)[nH]1 ZINC000683525237 488185810 /nfs/dbraw/zinc/18/58/10/488185810.db2.gz RDJGAYBYXPTGEE-UHFFFAOYSA-N 1 2 224.264 0.265 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC23CCOCC3)[nH]1 ZINC000683525237 488185817 /nfs/dbraw/zinc/18/58/17/488185817.db2.gz RDJGAYBYXPTGEE-UHFFFAOYSA-N 1 2 224.264 0.265 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C12CC(C1)C2 ZINC000625138048 342887187 /nfs/dbraw/zinc/88/71/87/342887187.db2.gz GMMHFQOZMANIBV-UHFFFAOYSA-N 1 2 238.331 0.577 20 0 BCADLO COc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)co1 ZINC000628035604 342888688 /nfs/dbraw/zinc/88/86/88/342888688.db2.gz VXNAQAMPWJDRBQ-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO COc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)co1 ZINC000628035604 342888689 /nfs/dbraw/zinc/88/86/89/342888689.db2.gz VXNAQAMPWJDRBQ-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H](C)O1 ZINC000247704069 398314683 /nfs/dbraw/zinc/31/46/83/398314683.db2.gz RMUXLJXQLMHTBH-HRDYMLBCSA-N 1 2 243.307 0.069 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H](C)O1 ZINC000247704069 398314685 /nfs/dbraw/zinc/31/46/85/398314685.db2.gz RMUXLJXQLMHTBH-HRDYMLBCSA-N 1 2 243.307 0.069 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1cn[nH]c1 ZINC000035764493 342892830 /nfs/dbraw/zinc/89/28/30/342892830.db2.gz BSDOXZDIFZVGMA-UHFFFAOYSA-N 1 2 205.221 0.635 20 0 BCADLO COC(=O)[C@@]1(F)CCN(c2cc[nH+]c(C)n2)C1 ZINC000074777346 344009192 /nfs/dbraw/zinc/00/91/92/344009192.db2.gz KOXUQCYJJCKKPT-LLVKDONJSA-N 1 2 239.250 0.876 20 0 BCADLO CCc1nc(N2CCC[C@H]2C(N)=O)cc(C)[nH+]1 ZINC000624559336 344009733 /nfs/dbraw/zinc/00/97/33/344009733.db2.gz CXACTVNHBFTWEV-VIFPVBQESA-N 1 2 234.303 0.802 20 0 BCADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351572188 136247209 /nfs/dbraw/zinc/24/72/09/136247209.db2.gz CGLKLMOGTXMTTN-ACLDMZEESA-N 1 2 211.265 0.752 20 0 BCADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351572188 136247210 /nfs/dbraw/zinc/24/72/10/136247210.db2.gz CGLKLMOGTXMTTN-ACLDMZEESA-N 1 2 211.265 0.752 20 0 BCADLO C[C@H](Cn1cccn1)[NH2+]Cc1ccn[nH]1 ZINC000037155888 342922973 /nfs/dbraw/zinc/92/29/73/342922973.db2.gz DKNLXZKKHFMLGK-SECBINFHSA-N 1 2 205.265 0.785 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C12CC(C1)C2 ZINC000625240306 342928439 /nfs/dbraw/zinc/92/84/39/342928439.db2.gz YOIFUOMCRDDDCN-UHFFFAOYSA-N 1 2 205.261 0.836 20 0 BCADLO COC(=O)CCC[NH+]1CCN(C(C)=O)CC1 ZINC000037286303 342926336 /nfs/dbraw/zinc/92/63/36/342926336.db2.gz VTNMZNMOKNKUIG-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO COc1nc(C(=O)NCc2[nH+]ccn2C)co1 ZINC000625240343 342928404 /nfs/dbraw/zinc/92/84/04/342928404.db2.gz ZSRJWJFEBLQBEA-UHFFFAOYSA-N 1 2 236.231 0.347 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000602633315 349649873 /nfs/dbraw/zinc/64/98/73/349649873.db2.gz GZWQWVCGTFULIP-BDAKNGLRSA-N 1 2 223.276 0.559 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cnnn1C ZINC000351627552 136248682 /nfs/dbraw/zinc/24/86/82/136248682.db2.gz GREBOKXYKZVSIC-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cnnn1C ZINC000351627552 136248683 /nfs/dbraw/zinc/24/86/83/136248683.db2.gz GREBOKXYKZVSIC-VIFPVBQESA-N 1 2 224.308 0.814 20 0 BCADLO COc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1C ZINC000302328934 259330444 /nfs/dbraw/zinc/33/04/44/259330444.db2.gz RNYBWGPSYBGNIR-SSDOTTSWSA-N 1 2 249.274 0.643 20 0 BCADLO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651281 136249298 /nfs/dbraw/zinc/24/92/98/136249298.db2.gz QRZBICDREMEOCQ-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2n[nH]c(=O)[nH]2)C1 ZINC000351651281 136249299 /nfs/dbraw/zinc/24/92/99/136249299.db2.gz QRZBICDREMEOCQ-DTWKUNHWSA-N 1 2 240.307 0.493 20 0 BCADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000602643643 349656208 /nfs/dbraw/zinc/65/62/08/349656208.db2.gz GZECPEOPHGJYKB-OPRDCNLKSA-N 1 2 231.292 0.189 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125792022 398339390 /nfs/dbraw/zinc/33/93/90/398339390.db2.gz RYBSFLMWCGFKRC-QMMMGPOBSA-N 1 2 222.292 0.245 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2n[nH]cc2C1 ZINC000125792022 398339391 /nfs/dbraw/zinc/33/93/91/398339391.db2.gz RYBSFLMWCGFKRC-QMMMGPOBSA-N 1 2 222.292 0.245 20 0 BCADLO Cc1nc(N(C)C[C@H]2CCCO2)nc(N)[nH+]1 ZINC000304541842 398337371 /nfs/dbraw/zinc/33/73/71/398337371.db2.gz WBLKJKLRINOBFX-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N(C)C[C@H]2CCCO2)[nH+]1 ZINC000304541842 398337372 /nfs/dbraw/zinc/33/73/72/398337372.db2.gz WBLKJKLRINOBFX-MRVPVSSYSA-N 1 2 223.280 0.377 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125793098 398339460 /nfs/dbraw/zinc/33/94/60/398339460.db2.gz OIICJIWAVQNICF-UHFFFAOYSA-N 1 2 236.319 0.636 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125793098 398339461 /nfs/dbraw/zinc/33/94/61/398339461.db2.gz OIICJIWAVQNICF-UHFFFAOYSA-N 1 2 236.319 0.636 20 0 BCADLO CC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000123419974 398338089 /nfs/dbraw/zinc/33/80/89/398338089.db2.gz PZYCXWLGZVCKIK-ZETCQYMHSA-N 1 2 221.264 0.546 20 0 BCADLO COC[C@@]1(c2nc(C)no2)CCCC[NH2+]1 ZINC000634553609 398331270 /nfs/dbraw/zinc/33/12/70/398331270.db2.gz ASJYWSITSITZRA-SNVBAGLBSA-N 1 2 211.265 0.993 20 0 BCADLO COC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000355122506 398331481 /nfs/dbraw/zinc/33/14/81/398331481.db2.gz MHOBCZSSGRXQAX-MXWKQRLJSA-N 1 2 245.319 0.579 20 0 BCADLO COCc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000355197728 398331678 /nfs/dbraw/zinc/33/16/78/398331678.db2.gz MGXJDOIAYKPVHG-NSHDSACASA-N 1 2 238.287 0.746 20 0 BCADLO COCc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000355197728 398331679 /nfs/dbraw/zinc/33/16/79/398331679.db2.gz MGXJDOIAYKPVHG-NSHDSACASA-N 1 2 238.287 0.746 20 0 BCADLO Cc1nc(NCC(=O)N2CCCC2)cc[nH+]1 ZINC000157352697 398340247 /nfs/dbraw/zinc/34/02/47/398340247.db2.gz LSXLIJKZSZSORP-UHFFFAOYSA-N 1 2 220.276 0.819 20 0 BCADLO Cc1nocc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000351795307 136253341 /nfs/dbraw/zinc/25/33/41/136253341.db2.gz KZQOGULUSSWRIO-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1nocc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000351795307 136253342 /nfs/dbraw/zinc/25/33/42/136253342.db2.gz KZQOGULUSSWRIO-SECBINFHSA-N 1 2 209.249 0.303 20 0 BCADLO Cc1nccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)n1 ZINC000351780777 136254042 /nfs/dbraw/zinc/25/40/42/136254042.db2.gz MRYWJHFJSVIZBN-CABZTGNLSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)n1 ZINC000351780777 136254043 /nfs/dbraw/zinc/25/40/43/136254043.db2.gz MRYWJHFJSVIZBN-CABZTGNLSA-N 1 2 237.303 0.367 20 0 BCADLO CC[C@@H](COC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868515 529515904 /nfs/dbraw/zinc/51/59/04/529515904.db2.gz SQRQXLRFVHOOPF-WBSSQXGSSA-N 1 2 223.276 0.964 20 0 BCADLO COC1CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000625617830 344020162 /nfs/dbraw/zinc/02/01/62/344020162.db2.gz NWXIQOBKBGSWBE-UHFFFAOYSA-N 1 2 235.287 0.691 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ncn(C)n1 ZINC000493254394 529556242 /nfs/dbraw/zinc/55/62/42/529556242.db2.gz JFTQEPYAIXUCJN-SNAWJCMRSA-N 1 2 246.274 0.683 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1C[C@H]1CO ZINC000493231669 529556256 /nfs/dbraw/zinc/55/62/56/529556256.db2.gz YHGYHTZZPBIQQA-FCVPOFOPSA-N 1 2 235.287 0.413 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182686890 536732937 /nfs/dbraw/zinc/73/29/37/536732937.db2.gz WWQCONDDDOCQPG-UWVGGRQHSA-N 1 2 240.307 0.339 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182686890 536732944 /nfs/dbraw/zinc/73/29/44/536732944.db2.gz WWQCONDDDOCQPG-UWVGGRQHSA-N 1 2 240.307 0.339 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCCO ZINC000493391869 529556805 /nfs/dbraw/zinc/55/68/05/529556805.db2.gz AMWWXZUAOOZTJE-WAYWQWQTSA-N 1 2 237.303 0.757 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOCC1 ZINC000492928320 529558165 /nfs/dbraw/zinc/55/81/65/529558165.db2.gz RGNQJXJAFFIWGB-ARJAWSKDSA-N 1 2 235.287 0.775 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)NOCCCO ZINC000493492791 529559469 /nfs/dbraw/zinc/55/94/69/529559469.db2.gz RVHJTAPUYPBOFQ-PLNGDYQASA-N 1 2 239.275 0.346 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000602769524 349723450 /nfs/dbraw/zinc/72/34/50/349723450.db2.gz ZGUVOUWXWKIKCN-JTQLQIEISA-N 1 2 224.308 0.129 20 0 BCADLO CCN(C#N)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000602769524 349723453 /nfs/dbraw/zinc/72/34/53/349723453.db2.gz ZGUVOUWXWKIKCN-JTQLQIEISA-N 1 2 224.308 0.129 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492820267 529565208 /nfs/dbraw/zinc/56/52/08/529565208.db2.gz AVZQZDIMLREVSI-AAOUONPWSA-N 1 2 235.287 0.796 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(=O)[nH]1 ZINC000235145437 342987965 /nfs/dbraw/zinc/98/79/65/342987965.db2.gz JKYKTWGMPMUTAK-VIFPVBQESA-N 1 2 246.270 0.390 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCN(C#N)CC ZINC000602796629 349737963 /nfs/dbraw/zinc/73/79/63/349737963.db2.gz DSXVHLLJOFQRGA-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCN(C#N)CC ZINC000602796629 349737964 /nfs/dbraw/zinc/73/79/64/349737964.db2.gz DSXVHLLJOFQRGA-NSHDSACASA-N 1 2 238.335 0.390 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCc1cnccn1)C1CC1 ZINC000602798491 349740101 /nfs/dbraw/zinc/74/01/01/349740101.db2.gz KSFDQRRPEXFIMI-ZDUSSCGKSA-N 1 2 249.314 0.950 20 0 BCADLO CCN(C#N)CC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000602804149 349744095 /nfs/dbraw/zinc/74/40/95/349744095.db2.gz JCBPHTCCCLMOHF-BMIGLBTASA-N 1 2 231.365 0.488 20 0 BCADLO CCN(C#N)CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000602804149 349744096 /nfs/dbraw/zinc/74/40/96/349744096.db2.gz JCBPHTCCCLMOHF-BMIGLBTASA-N 1 2 231.365 0.488 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000618149235 346914066 /nfs/dbraw/zinc/91/40/66/346914066.db2.gz KYAWPFHDEMWIJL-DTWKUNHWSA-N 1 2 225.292 0.739 20 0 BCADLO CO[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000618149235 346914067 /nfs/dbraw/zinc/91/40/67/346914067.db2.gz KYAWPFHDEMWIJL-DTWKUNHWSA-N 1 2 225.292 0.739 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CCc1cnccn1 ZINC000602774461 349728159 /nfs/dbraw/zinc/72/81/59/349728159.db2.gz ZTRCYJNLPKFKBW-UHFFFAOYSA-N 1 2 237.303 0.950 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000046058682 343015155 /nfs/dbraw/zinc/01/51/55/343015155.db2.gz PXJTZBSNHAPGNS-UHFFFAOYSA-N 1 2 207.281 0.992 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000046058682 343015156 /nfs/dbraw/zinc/01/51/56/343015156.db2.gz PXJTZBSNHAPGNS-UHFFFAOYSA-N 1 2 207.281 0.992 20 0 BCADLO O=c1c2c([nH]n1CC(F)F)CC[NH2+]C2 ZINC000634622684 343023215 /nfs/dbraw/zinc/02/32/15/343023215.db2.gz MCQWOOMXNZMOKZ-RXMQYKEDSA-N 1 2 203.192 0.059 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000602788368 349751300 /nfs/dbraw/zinc/75/13/00/349751300.db2.gz OLWTWCJHAXOZRT-UHFFFAOYSA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000602788368 349751301 /nfs/dbraw/zinc/75/13/01/349751301.db2.gz OLWTWCJHAXOZRT-UHFFFAOYSA-N 1 2 238.335 0.342 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000602811168 349754420 /nfs/dbraw/zinc/75/44/20/349754420.db2.gz NKPCSXGCKNASPZ-MRVPVSSYSA-N 1 2 223.280 0.832 20 0 BCADLO C[C@@H]1C[NH+](Cc2nnnn2C)C[C@@H](C)C1(F)F ZINC000625650454 344023809 /nfs/dbraw/zinc/02/38/09/344023809.db2.gz RVNQKIAGZNHESR-HTQZYQBOSA-N 1 2 245.277 0.933 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1CCOC ZINC000602840339 349778637 /nfs/dbraw/zinc/77/86/37/349778637.db2.gz ZSZKKNKZRDLGSS-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1CCOC ZINC000602840339 349778638 /nfs/dbraw/zinc/77/86/38/349778638.db2.gz ZSZKKNKZRDLGSS-GFCCVEGCSA-N 1 2 241.335 0.527 20 0 BCADLO CCN(C#N)CC[N@H+](C1CC1)C1COC1 ZINC000602833548 349768830 /nfs/dbraw/zinc/76/88/30/349768830.db2.gz WOQOSXXMTYKZHU-UHFFFAOYSA-N 1 2 209.293 0.653 20 0 BCADLO CCN(C#N)CC[N@@H+](C1CC1)C1COC1 ZINC000602833548 349768832 /nfs/dbraw/zinc/76/88/32/349768832.db2.gz WOQOSXXMTYKZHU-UHFFFAOYSA-N 1 2 209.293 0.653 20 0 BCADLO C[C@@H](c1ccncc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627096 343036802 /nfs/dbraw/zinc/03/68/02/343036802.db2.gz VOGNWSNYBOOIBG-ONGXEEELSA-N 1 2 244.298 0.950 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880268 349790986 /nfs/dbraw/zinc/79/09/86/349790986.db2.gz KTOFOFNONGUJFL-VIFPVBQESA-N 1 2 209.249 0.720 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880268 349790989 /nfs/dbraw/zinc/79/09/89/349790989.db2.gz KTOFOFNONGUJFL-VIFPVBQESA-N 1 2 209.249 0.720 20 0 BCADLO Cn1nnc(C[NH2+][C@H]2CCc3ccccc32)n1 ZINC000236149658 343079832 /nfs/dbraw/zinc/07/98/32/343079832.db2.gz FGZNHPAUQNXCCU-NSHDSACASA-N 1 2 229.287 0.987 20 0 BCADLO CC[C@](C)(O)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640954729 362098395 /nfs/dbraw/zinc/09/83/95/362098395.db2.gz WFXZRHYCFBIWQA-LBPRGKRZSA-N 1 2 249.318 0.763 20 0 BCADLO CC[N@H+](Cc1cnn(CCOC)c1)C1COC1 ZINC000449424953 262914219 /nfs/dbraw/zinc/91/42/19/262914219.db2.gz LCGYFDXIAUAVFX-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO CC[N@@H+](Cc1cnn(CCOC)c1)C1COC1 ZINC000449424953 262914222 /nfs/dbraw/zinc/91/42/22/262914222.db2.gz LCGYFDXIAUAVFX-UHFFFAOYSA-N 1 2 239.319 0.750 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000163339924 343206187 /nfs/dbraw/zinc/20/61/87/343206187.db2.gz LIHYOLPYGPDVKZ-JGVFFNPUSA-N 1 2 201.266 0.299 20 0 BCADLO COC[C@H](C)CNc1nc[nH+]c(N)c1OC ZINC000134870500 343191612 /nfs/dbraw/zinc/19/16/12/343191612.db2.gz OXDDQFGWZFRIAJ-SSDOTTSWSA-N 1 2 226.280 0.762 20 0 BCADLO COC[C@H](C)CNc1[nH+]cnc(N)c1OC ZINC000134870500 343191614 /nfs/dbraw/zinc/19/16/14/343191614.db2.gz OXDDQFGWZFRIAJ-SSDOTTSWSA-N 1 2 226.280 0.762 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCOC1 ZINC000134889819 343191810 /nfs/dbraw/zinc/19/18/10/343191810.db2.gz OIDSTBPGSCAFBQ-SSDOTTSWSA-N 1 2 224.264 0.658 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCOC1 ZINC000134889819 343191812 /nfs/dbraw/zinc/19/18/12/343191812.db2.gz OIDSTBPGSCAFBQ-SSDOTTSWSA-N 1 2 224.264 0.658 20 0 BCADLO COCCOCCNc1nc[nH+]c(N)c1OC ZINC000134866981 343191884 /nfs/dbraw/zinc/19/18/84/343191884.db2.gz FSHKGAQDQTVRAQ-UHFFFAOYSA-N 1 2 242.279 0.142 20 0 BCADLO COCCOCCNc1[nH+]cnc(N)c1OC ZINC000134866981 343191886 /nfs/dbraw/zinc/19/18/86/343191886.db2.gz FSHKGAQDQTVRAQ-UHFFFAOYSA-N 1 2 242.279 0.142 20 0 BCADLO COc1c(N)[nH+]cnc1NCc1cc(C)no1 ZINC000134867955 343192012 /nfs/dbraw/zinc/19/20/12/343192012.db2.gz BAPUXIFYSAXRPN-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)nc[nH+]c1NCc1cc(C)no1 ZINC000134867955 343192014 /nfs/dbraw/zinc/19/20/14/343192014.db2.gz BAPUXIFYSAXRPN-UHFFFAOYSA-N 1 2 235.247 0.976 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@H](CO)C1 ZINC000134830603 343195410 /nfs/dbraw/zinc/19/54/10/343195410.db2.gz YRILRGSAUQFLKY-QMMMGPOBSA-N 1 2 238.291 0.276 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@H](CO)C1 ZINC000134830603 343195411 /nfs/dbraw/zinc/19/54/11/343195411.db2.gz YRILRGSAUQFLKY-QMMMGPOBSA-N 1 2 238.291 0.276 20 0 BCADLO CC[C@H]1CN(c2nc[nH+]c(N)c2OC)CCO1 ZINC000134828110 343195438 /nfs/dbraw/zinc/19/54/38/343195438.db2.gz FTQYOFDVSHLHQW-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO CC[C@H]1CN(c2[nH+]cnc(N)c2OC)CCO1 ZINC000134828110 343195440 /nfs/dbraw/zinc/19/54/40/343195440.db2.gz FTQYOFDVSHLHQW-QMMMGPOBSA-N 1 2 238.291 0.683 20 0 BCADLO COCCCNc1nc[nH+]c(N)c1OC ZINC000134818517 343195455 /nfs/dbraw/zinc/19/54/55/343195455.db2.gz GKTCSIRTFJMYRX-UHFFFAOYSA-N 1 2 212.253 0.516 20 0 BCADLO COCCCNc1[nH+]cnc(N)c1OC ZINC000134818517 343195456 /nfs/dbraw/zinc/19/54/56/343195456.db2.gz GKTCSIRTFJMYRX-UHFFFAOYSA-N 1 2 212.253 0.516 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000163712722 136280819 /nfs/dbraw/zinc/28/08/19/136280819.db2.gz JDSKRCPXRMLWOP-VWYCJHECSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCCCO1 ZINC000163712722 136280820 /nfs/dbraw/zinc/28/08/20/136280820.db2.gz JDSKRCPXRMLWOP-VWYCJHECSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C1CC1 ZINC000402113629 349802601 /nfs/dbraw/zinc/80/26/01/349802601.db2.gz FBRAYTCZTSDGFZ-FKTZTGRPSA-N 1 2 213.277 0.705 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000569739411 323039472 /nfs/dbraw/zinc/03/94/72/323039472.db2.gz LYCRNOFFXCCJNS-HLTSFMKQSA-N 1 2 218.247 0.504 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000569739411 323039473 /nfs/dbraw/zinc/03/94/73/323039473.db2.gz LYCRNOFFXCCJNS-HLTSFMKQSA-N 1 2 218.247 0.504 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)O1 ZINC000122117885 136277921 /nfs/dbraw/zinc/27/79/21/136277921.db2.gz AUYDTNPOMTWKTA-WDEREUQCSA-N 1 2 242.319 0.002 20 0 BCADLO O=C(c1ccoc1)N1CC[NH+](CCO)CC1 ZINC000035187934 343288847 /nfs/dbraw/zinc/28/88/47/343288847.db2.gz MDDQSGKRGWIPPS-UHFFFAOYSA-N 1 2 224.260 0.030 20 0 BCADLO C[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000035203926 343289489 /nfs/dbraw/zinc/28/94/89/343289489.db2.gz RGZRIDDJNSSCDZ-SECBINFHSA-N 1 2 233.271 0.374 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C[C@@H](C)O ZINC000051838038 343264344 /nfs/dbraw/zinc/26/43/44/343264344.db2.gz UVUJTFIMVAQMLJ-SECBINFHSA-N 1 2 227.312 0.286 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C[C@@H](C)O ZINC000051838038 343264346 /nfs/dbraw/zinc/26/43/46/343264346.db2.gz UVUJTFIMVAQMLJ-SECBINFHSA-N 1 2 227.312 0.286 20 0 BCADLO CS[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121334660 343264987 /nfs/dbraw/zinc/26/49/87/343264987.db2.gz GGDGCBXCJWOIQD-MRVPVSSYSA-N 1 2 227.333 0.830 20 0 BCADLO CC(C)(C)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033497 362146572 /nfs/dbraw/zinc/14/65/72/362146572.db2.gz OBTVDZQUYNTATD-UHFFFAOYSA-N 1 2 238.335 0.908 20 0 BCADLO CC(C)(C)[C@H](O)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036545 362149104 /nfs/dbraw/zinc/14/91/04/362149104.db2.gz QYZLRYCTFKGQMG-LLVKDONJSA-N 1 2 249.318 0.999 20 0 BCADLO Cn1cc(-c2cn(Cc3c[nH+]cn3C)nn2)cn1 ZINC000641037776 362149216 /nfs/dbraw/zinc/14/92/16/362149216.db2.gz FVMZKMXOCDKAJZ-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO Cn1c[nH+]cc1Cn1cc(Cn2cccn2)nn1 ZINC000641037945 362150621 /nfs/dbraw/zinc/15/06/21/362150621.db2.gz JESBMHNCQNXVCP-UHFFFAOYSA-N 1 2 243.274 0.305 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccncc1 ZINC000088094621 136285602 /nfs/dbraw/zinc/28/56/02/136285602.db2.gz YQEVDSZCKPTPPC-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccncc1 ZINC000088094621 136285603 /nfs/dbraw/zinc/28/56/03/136285603.db2.gz YQEVDSZCKPTPPC-PWSUYJOCSA-N 1 2 222.288 0.663 20 0 BCADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000088619596 136285805 /nfs/dbraw/zinc/28/58/05/136285805.db2.gz RTEPYETXTJFYHE-LLVKDONJSA-N 1 2 238.335 0.748 20 0 BCADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](CO)C1 ZINC000088619596 136285806 /nfs/dbraw/zinc/28/58/06/136285806.db2.gz RTEPYETXTJFYHE-LLVKDONJSA-N 1 2 238.335 0.748 20 0 BCADLO COC(=O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000609162771 343322859 /nfs/dbraw/zinc/32/28/59/343322859.db2.gz SRZXAAZYXOZACM-UHFFFAOYSA-N 1 2 239.275 0.343 20 0 BCADLO Cn1c[nH+]c(Cn2cc(-c3cnn(C)c3)nn2)c1 ZINC000641053874 362164530 /nfs/dbraw/zinc/16/45/30/362164530.db2.gz PUGINARUSLIUCG-UHFFFAOYSA-N 1 2 243.274 0.460 20 0 BCADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1CO ZINC000621373583 343316732 /nfs/dbraw/zinc/31/67/32/343316732.db2.gz LHVMTFFJBHUSHQ-ZJUUUORDSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1CO ZINC000621373583 343316733 /nfs/dbraw/zinc/31/67/33/343316733.db2.gz LHVMTFFJBHUSHQ-ZJUUUORDSA-N 1 2 224.308 0.298 20 0 BCADLO CC(=O)N1CC[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000309393868 343355345 /nfs/dbraw/zinc/35/53/45/343355345.db2.gz UYCUTSOBHVEQQP-LLVKDONJSA-N 1 2 222.292 0.429 20 0 BCADLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599019 343357512 /nfs/dbraw/zinc/35/75/12/343357512.db2.gz RAKPPUBTNJWNEP-LLVKDONJSA-N 1 2 227.352 0.539 20 0 BCADLO CN(CCO)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000037860420 343358353 /nfs/dbraw/zinc/35/83/53/343358353.db2.gz MZKZYIVCCGFPOC-UHFFFAOYSA-N 1 2 233.271 0.328 20 0 BCADLO COc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)co1 ZINC000625371335 343359391 /nfs/dbraw/zinc/35/93/91/343359391.db2.gz LJVDVTPXXCODNT-UHFFFAOYSA-N 1 2 236.231 0.679 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1CCN(CC)C(=O)C1 ZINC000348817948 136298997 /nfs/dbraw/zinc/29/89/97/136298997.db2.gz RKRWRJGWYOLZQG-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1CCN(CC)C(=O)C1 ZINC000348817948 136298998 /nfs/dbraw/zinc/29/89/98/136298998.db2.gz RKRWRJGWYOLZQG-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO COCC[N@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000625378065 343363333 /nfs/dbraw/zinc/36/33/33/343363333.db2.gz IZDXLQVRIQKSTO-VIFPVBQESA-N 1 2 243.332 0.775 20 0 BCADLO COCC[N@@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000625378065 343363335 /nfs/dbraw/zinc/36/33/35/343363335.db2.gz IZDXLQVRIQKSTO-VIFPVBQESA-N 1 2 243.332 0.775 20 0 BCADLO CCN1CC[N@H+](CCC(=O)NC(C)C)CC1=O ZINC000348803720 136301494 /nfs/dbraw/zinc/30/14/94/136301494.db2.gz CHIDAENNQVMMFE-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO CCN1CC[N@@H+](CCC(=O)NC(C)C)CC1=O ZINC000348803720 136301495 /nfs/dbraw/zinc/30/14/95/136301495.db2.gz CHIDAENNQVMMFE-UHFFFAOYSA-N 1 2 241.335 0.065 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367063349 136302155 /nfs/dbraw/zinc/30/21/55/136302155.db2.gz VJAFQPLGQMFNLI-AAEUAGOBSA-N 1 2 248.330 0.865 20 0 BCADLO COC(=O)[C@@]1([NH2+]CC(C)C)CCOC1 ZINC000070992974 343342056 /nfs/dbraw/zinc/34/20/56/343342056.db2.gz WKUVACSNJVIIEQ-SNVBAGLBSA-N 1 2 201.266 0.564 20 0 BCADLO CCOCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641063258 362170139 /nfs/dbraw/zinc/17/01/39/362170139.db2.gz YACLIJNJVOZLGA-LLVKDONJSA-N 1 2 240.307 0.366 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1nccs1 ZINC000348945457 136310007 /nfs/dbraw/zinc/31/00/07/136310007.db2.gz BOYCSVMUPOBVIZ-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1nccs1 ZINC000348945457 136310008 /nfs/dbraw/zinc/31/00/08/136310008.db2.gz BOYCSVMUPOBVIZ-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000602877164 349806961 /nfs/dbraw/zinc/80/69/61/349806961.db2.gz NLAHPFXKHDMQPR-CMPLNLGQSA-N 1 2 237.299 0.741 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCOC1 ZINC000349109395 136323640 /nfs/dbraw/zinc/32/36/40/136323640.db2.gz MUXCQXMPPPVLGT-SNVBAGLBSA-N 1 2 209.249 0.453 20 0 BCADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCOC1 ZINC000349109395 136323641 /nfs/dbraw/zinc/32/36/41/136323641.db2.gz MUXCQXMPPPVLGT-SNVBAGLBSA-N 1 2 209.249 0.453 20 0 BCADLO C[C@@H](O)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000047672902 343422642 /nfs/dbraw/zinc/42/26/42/343422642.db2.gz QJWJWDPZGWKJOT-SECBINFHSA-N 1 2 248.286 0.514 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccnc1C ZINC000678192465 488216140 /nfs/dbraw/zinc/21/61/40/488216140.db2.gz JGCSERYKAQICSD-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccnc1C ZINC000678192465 488216142 /nfs/dbraw/zinc/21/61/42/488216142.db2.gz JGCSERYKAQICSD-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCC[C@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000335697970 136327944 /nfs/dbraw/zinc/32/79/44/136327944.db2.gz PABFWWHVVHXVTJ-NSHDSACASA-N 1 2 214.309 0.312 20 0 BCADLO O=C(NCCCO)NCc1cn2ccccc2[nH+]1 ZINC000047598399 343419277 /nfs/dbraw/zinc/41/92/77/343419277.db2.gz GALFQKPUFZHPNA-UHFFFAOYSA-N 1 2 248.286 0.516 20 0 BCADLO CC(C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000047617399 343420937 /nfs/dbraw/zinc/42/09/37/343420937.db2.gz RUIIDZMWDYWNKZ-LLVKDONJSA-N 1 2 243.351 0.662 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)C1=CCCC1 ZINC000349357128 136343368 /nfs/dbraw/zinc/34/33/68/136343368.db2.gz SUXMYFYEPMQCPB-UHFFFAOYSA-N 1 2 238.331 0.887 20 0 BCADLO COCC[C@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641086169 362202062 /nfs/dbraw/zinc/20/20/62/362202062.db2.gz KAZQRMKIGYLYCR-ONGXEEELSA-N 1 2 240.307 0.537 20 0 BCADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCOC1 ZINC000349192879 136331104 /nfs/dbraw/zinc/33/11/04/136331104.db2.gz PWRGOJDFBCTBEM-LLVKDONJSA-N 1 2 223.276 0.495 20 0 BCADLO O=C(C(F)F)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083079 136332247 /nfs/dbraw/zinc/33/22/47/136332247.db2.gz CPZOFNHJOPSHFX-SECBINFHSA-N 1 2 241.241 0.820 20 0 BCADLO O=C(C(F)F)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083080 136332499 /nfs/dbraw/zinc/33/24/99/136332499.db2.gz CPZOFNHJOPSHFX-VIFPVBQESA-N 1 2 241.241 0.820 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)on1 ZINC000335701903 136334229 /nfs/dbraw/zinc/33/42/29/136334229.db2.gz VYULBJKBMZEEAR-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)on1 ZINC000335701903 136334230 /nfs/dbraw/zinc/33/42/30/136334230.db2.gz VYULBJKBMZEEAR-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000349277613 136334550 /nfs/dbraw/zinc/33/45/50/136334550.db2.gz MCJLNOHCFZPYSJ-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000349277613 136334551 /nfs/dbraw/zinc/33/45/51/136334551.db2.gz MCJLNOHCFZPYSJ-VIFPVBQESA-N 1 2 226.324 0.846 20 0 BCADLO CCc1nocc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000350213674 136357179 /nfs/dbraw/zinc/35/71/79/136357179.db2.gz AMXDXRDAOYOFSP-SNVBAGLBSA-N 1 2 223.276 0.687 20 0 BCADLO CCc1nocc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000350213674 136357180 /nfs/dbraw/zinc/35/71/80/136357180.db2.gz AMXDXRDAOYOFSP-SNVBAGLBSA-N 1 2 223.276 0.687 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cscn1 ZINC000350269181 136357439 /nfs/dbraw/zinc/35/74/39/136357439.db2.gz QZTPIYZKJJCAMA-IUCAKERBSA-N 1 2 214.290 0.071 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cscn1 ZINC000350269181 136357440 /nfs/dbraw/zinc/35/74/40/136357440.db2.gz QZTPIYZKJJCAMA-IUCAKERBSA-N 1 2 214.290 0.071 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)s1 ZINC000350266943 136357457 /nfs/dbraw/zinc/35/74/57/136357457.db2.gz MYEAGFQUGQXUNS-IUCAKERBSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H](O)C[C@H]2CO)s1 ZINC000350266943 136357458 /nfs/dbraw/zinc/35/74/58/136357458.db2.gz MYEAGFQUGQXUNS-IUCAKERBSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@H](O)C[C@H]2CO)s1 ZINC000350266941 136357505 /nfs/dbraw/zinc/35/75/05/136357505.db2.gz MYEAGFQUGQXUNS-DTWKUNHWSA-N 1 2 242.344 0.633 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@H](O)C[C@H]2CO)s1 ZINC000350266941 136357506 /nfs/dbraw/zinc/35/75/06/136357506.db2.gz MYEAGFQUGQXUNS-DTWKUNHWSA-N 1 2 242.344 0.633 20 0 BCADLO CCC[N@H+](C)Cc1nc([C@H](C)NC(N)=O)no1 ZINC000350546602 136361838 /nfs/dbraw/zinc/36/18/38/136361838.db2.gz UDEBIAMYLRLAHA-ZETCQYMHSA-N 1 2 241.295 0.641 20 0 BCADLO CCC[N@@H+](C)Cc1nc([C@H](C)NC(N)=O)no1 ZINC000350546602 136361839 /nfs/dbraw/zinc/36/18/39/136361839.db2.gz UDEBIAMYLRLAHA-ZETCQYMHSA-N 1 2 241.295 0.641 20 0 BCADLO CCC[N@H+](C)Cc1nc([C@@H](C)NC(N)=O)no1 ZINC000350546601 136361919 /nfs/dbraw/zinc/36/19/19/136361919.db2.gz UDEBIAMYLRLAHA-SSDOTTSWSA-N 1 2 241.295 0.641 20 0 BCADLO CCC[N@@H+](C)Cc1nc([C@@H](C)NC(N)=O)no1 ZINC000350546601 136361920 /nfs/dbraw/zinc/36/19/20/136361920.db2.gz UDEBIAMYLRLAHA-SSDOTTSWSA-N 1 2 241.295 0.641 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000351028426 136366522 /nfs/dbraw/zinc/36/65/22/136366522.db2.gz QYFADLXVKLVGKW-DTWKUNHWSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)[C@@H](C)CO1 ZINC000351028426 136366523 /nfs/dbraw/zinc/36/65/23/136366523.db2.gz QYFADLXVKLVGKW-DTWKUNHWSA-N 1 2 210.281 0.424 20 0 BCADLO CC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000042844813 343455380 /nfs/dbraw/zinc/45/53/80/343455380.db2.gz ZEOQLBKMABOAIW-SECBINFHSA-N 1 2 210.281 0.981 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)NC(C)C)o1 ZINC000231652354 488220069 /nfs/dbraw/zinc/22/00/69/488220069.db2.gz CBWNMZFOMCIIJV-VIFPVBQESA-N 1 2 225.292 0.986 20 0 BCADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC1 ZINC000259618486 136374310 /nfs/dbraw/zinc/37/43/10/136374310.db2.gz JHZPGVAXUUOSCL-SECBINFHSA-N 1 2 237.259 0.020 20 0 BCADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC1 ZINC000259618486 136374311 /nfs/dbraw/zinc/37/43/11/136374311.db2.gz JHZPGVAXUUOSCL-SECBINFHSA-N 1 2 237.259 0.020 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000082476758 343444986 /nfs/dbraw/zinc/44/49/86/343444986.db2.gz UZXWQEXSHRBQGO-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO CCOC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC ZINC000082476758 343444987 /nfs/dbraw/zinc/44/49/87/343444987.db2.gz UZXWQEXSHRBQGO-VIFPVBQESA-N 1 2 228.292 0.150 20 0 BCADLO C[C@@H](CNC(=O)c1cccc2[nH]nnc21)[NH+](C)C ZINC000616489348 343475767 /nfs/dbraw/zinc/47/57/67/343475767.db2.gz YRCIXJOBEFQZEU-QMMMGPOBSA-N 1 2 247.302 0.638 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000043637904 343479301 /nfs/dbraw/zinc/47/93/01/343479301.db2.gz MCQAMLWEKWJJPK-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO Cn1ccnc1NC(=O)CCn1cc[nH+]c1 ZINC000622709027 343517295 /nfs/dbraw/zinc/51/72/95/343517295.db2.gz WLJNAKAHELQDBZ-UHFFFAOYSA-N 1 2 219.248 0.645 20 0 BCADLO CCn1ccnc1NC(=O)Cc1c[nH+]cn1C ZINC000622712621 343520960 /nfs/dbraw/zinc/52/09/60/343520960.db2.gz FDVDDPVYPYNACJ-UHFFFAOYSA-N 1 2 233.275 0.818 20 0 BCADLO O=C1CC[N@H+](Cc2nc3ccccc3[nH]2)CCN1 ZINC000192566828 365758931 /nfs/dbraw/zinc/75/89/31/365758931.db2.gz MKHOXADONYHESN-UHFFFAOYSA-N 1 2 244.298 0.885 20 0 BCADLO O=C1CC[N@@H+](Cc2nc3ccccc3[nH]2)CCN1 ZINC000192566828 365758935 /nfs/dbraw/zinc/75/89/35/365758935.db2.gz MKHOXADONYHESN-UHFFFAOYSA-N 1 2 244.298 0.885 20 0 BCADLO C[NH+]1CCN(C(=O)C2CCC(=O)CC2)CC1 ZINC000084498343 343532748 /nfs/dbraw/zinc/53/27/48/343532748.db2.gz HIFRVXORLGBURB-UHFFFAOYSA-N 1 2 224.304 0.520 20 0 BCADLO CCc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000234162330 343532997 /nfs/dbraw/zinc/53/29/97/343532997.db2.gz XGQCSYJOLHKICC-RKDXNWHRSA-N 1 2 228.317 0.243 20 0 BCADLO C[C@H]1OCC[C@@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641161138 362246862 /nfs/dbraw/zinc/24/68/62/362246862.db2.gz VILUWUDHEIXDNH-GHMZBOCLSA-N 1 2 247.302 0.948 20 0 BCADLO CCOC(=O)C[NH2+][C@]1(CC)CCOC1 ZINC000379574221 343576602 /nfs/dbraw/zinc/57/66/02/343576602.db2.gz JEBDEZMWINDYRM-SNVBAGLBSA-N 1 2 201.266 0.708 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccco1 ZINC000046886457 343554443 /nfs/dbraw/zinc/55/44/43/343554443.db2.gz LWGLXUPUSAMOSA-JTQLQIEISA-N 1 2 238.287 0.730 20 0 BCADLO COC(=O)CCC[N@@H+]1CCO[C@H](OC)C1 ZINC000602899984 349815754 /nfs/dbraw/zinc/81/57/54/349815754.db2.gz WARBKTDIAQUHHZ-JTQLQIEISA-N 1 2 217.265 0.244 20 0 BCADLO COC(=O)CCC[N@H+]1CCO[C@H](OC)C1 ZINC000602899984 349815757 /nfs/dbraw/zinc/81/57/57/349815757.db2.gz WARBKTDIAQUHHZ-JTQLQIEISA-N 1 2 217.265 0.244 20 0 BCADLO Cn1nc(C2CC2)nc1C(=O)NCc1[nH]cc[nH+]1 ZINC000577020446 365770979 /nfs/dbraw/zinc/77/09/79/365770979.db2.gz YMYKQIOMZVSFCQ-UHFFFAOYSA-N 1 2 246.274 0.346 20 0 BCADLO Cc1nnc(Cn2cc(C[NH+]3CCCC3)nn2)[nH]1 ZINC000641166596 362247613 /nfs/dbraw/zinc/24/76/13/362247613.db2.gz PRICXBRRMOFDBO-UHFFFAOYSA-N 1 2 247.306 0.349 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2nccnc2C1 ZINC000602904295 349817849 /nfs/dbraw/zinc/81/78/49/349817849.db2.gz VVYAZUXIPOVSHF-UHFFFAOYSA-N 1 2 231.303 0.638 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2nccnc2C1 ZINC000602904295 349817851 /nfs/dbraw/zinc/81/78/51/349817851.db2.gz VVYAZUXIPOVSHF-UHFFFAOYSA-N 1 2 231.303 0.638 20 0 BCADLO OCc1nnn2c1C[N@H+](CCC1CC1)CC2 ZINC000580571657 365776550 /nfs/dbraw/zinc/77/65/50/365776550.db2.gz NOFLJZASEPWTSI-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO OCc1nnn2c1C[N@@H+](CCC1CC1)CC2 ZINC000580571657 365776553 /nfs/dbraw/zinc/77/65/53/365776553.db2.gz NOFLJZASEPWTSI-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO CC(=O)N1CC(Nc2cc[nH+]c(C)n2)C1 ZINC000580571106 365776969 /nfs/dbraw/zinc/77/69/69/365776969.db2.gz XSSCUYFAYJBIPB-UHFFFAOYSA-N 1 2 206.249 0.428 20 0 BCADLO CCOC(=O)c1nc(C[N@H+](C)CCO)cs1 ZINC000048347138 343578617 /nfs/dbraw/zinc/57/86/17/343578617.db2.gz KFZKLTLWPQRNEE-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO CCOC(=O)c1nc(C[N@@H+](C)CCO)cs1 ZINC000048347138 343578620 /nfs/dbraw/zinc/57/86/20/343578620.db2.gz KFZKLTLWPQRNEE-UHFFFAOYSA-N 1 2 244.316 0.744 20 0 BCADLO O=C(C[N@@H+](CCO)C1CC1)Nc1nccs1 ZINC000048347582 343578809 /nfs/dbraw/zinc/57/88/09/343578809.db2.gz IEQFZQMBPWWPAE-UHFFFAOYSA-N 1 2 241.316 0.538 20 0 BCADLO O=C(C[N@H+](CCO)C1CC1)Nc1nccs1 ZINC000048347582 343578810 /nfs/dbraw/zinc/57/88/10/343578810.db2.gz IEQFZQMBPWWPAE-UHFFFAOYSA-N 1 2 241.316 0.538 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)COC(C)C ZINC000153963954 323054358 /nfs/dbraw/zinc/05/43/58/323054358.db2.gz CXBVTHSNKQGGST-SNVBAGLBSA-N 1 2 247.335 0.704 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580583590 365793611 /nfs/dbraw/zinc/79/36/11/365793611.db2.gz XLRBGBHSKGLJIS-FBIMIBRVSA-N 1 2 237.303 0.882 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580583590 365793614 /nfs/dbraw/zinc/79/36/14/365793614.db2.gz XLRBGBHSKGLJIS-FBIMIBRVSA-N 1 2 237.303 0.882 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C(=O)OC)C1CC1 ZINC000087479589 343650625 /nfs/dbraw/zinc/65/06/25/343650625.db2.gz ZAINZFMIKPAWFC-APPZFPTMSA-N 1 2 201.266 0.563 20 0 BCADLO COC[C@@H]([NH2+][C@H](C)C(=O)OC)C1CC1 ZINC000087479590 343650713 /nfs/dbraw/zinc/65/07/13/343650713.db2.gz ZAINZFMIKPAWFC-VXNVDRBHSA-N 1 2 201.266 0.563 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492843067 529801410 /nfs/dbraw/zinc/80/14/10/529801410.db2.gz UWWNPGGTTWTCAT-ONEGZZNKSA-N 1 2 247.262 0.246 20 0 BCADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC000299907758 349829064 /nfs/dbraw/zinc/82/90/64/349829064.db2.gz SIBRGRODVIXIPO-WCBMZHEXSA-N 1 2 247.302 0.570 20 0 BCADLO O[C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000077210502 343671097 /nfs/dbraw/zinc/67/10/97/343671097.db2.gz JPENEEUCEDPBKK-SNVBAGLBSA-N 1 2 245.286 0.623 20 0 BCADLO Cn1cc[nH+]c1[C@H](NC(=O)C1CC(=O)C1)C1CC1 ZINC000557497224 343696212 /nfs/dbraw/zinc/69/62/12/343696212.db2.gz HAVDXUKUFOOYBD-LLVKDONJSA-N 1 2 247.298 0.967 20 0 BCADLO CC[C@H](C)C[N@@H+]1CCOC[C@H]1C(N)=O ZINC000247289234 343697063 /nfs/dbraw/zinc/69/70/63/343697063.db2.gz ZAHSZVUSEUTKAX-IUCAKERBSA-N 1 2 200.282 0.219 20 0 BCADLO CC[C@H](C)C[N@H+]1CCOC[C@H]1C(N)=O ZINC000247289234 343697067 /nfs/dbraw/zinc/69/70/67/343697067.db2.gz ZAHSZVUSEUTKAX-IUCAKERBSA-N 1 2 200.282 0.219 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000620144100 343683782 /nfs/dbraw/zinc/68/37/82/343683782.db2.gz IGUGSXVUEMRASQ-VXGBXAGGSA-N 1 2 249.314 0.768 20 0 BCADLO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000634699912 343685859 /nfs/dbraw/zinc/68/58/59/343685859.db2.gz QJVBHRBKULTXKW-NWDGAFQWSA-N 1 2 239.319 0.411 20 0 BCADLO COc1nccc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625435934 343733803 /nfs/dbraw/zinc/73/38/03/343733803.db2.gz ZFJHBJOGWXEIPU-UHFFFAOYSA-N 1 2 245.286 0.767 20 0 BCADLO Cc1noc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625434860 343735811 /nfs/dbraw/zinc/73/58/11/343735811.db2.gz JFZPZKFSDYLNNL-UHFFFAOYSA-N 1 2 219.248 0.659 20 0 BCADLO CCc1noc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625439358 343740642 /nfs/dbraw/zinc/74/06/42/343740642.db2.gz AYJSXXJCYJFZED-UHFFFAOYSA-N 1 2 233.275 0.913 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(Cc1nnnn1C1CC1)C2 ZINC000625440676 343741153 /nfs/dbraw/zinc/74/11/53/343741153.db2.gz SZNMSUIKVWGJCZ-UHFFFAOYSA-N 1 2 245.290 0.289 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000625442007 343741714 /nfs/dbraw/zinc/74/17/14/343741714.db2.gz JOFIFKSUXWDQIS-BDAKNGLRSA-N 1 2 222.292 0.242 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+]1CCn2nnc(CO)c2C1 ZINC000625442007 343741715 /nfs/dbraw/zinc/74/17/15/343741715.db2.gz JOFIFKSUXWDQIS-BDAKNGLRSA-N 1 2 222.292 0.242 20 0 BCADLO CC(C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000048090413 343710585 /nfs/dbraw/zinc/71/05/85/343710585.db2.gz POJBMDCDGZZMAY-UHFFFAOYSA-N 1 2 228.336 0.871 20 0 BCADLO CN1C[C@H](C[N@@H+]2CCc3cncnc3C2)OC1=O ZINC000496460571 529826075 /nfs/dbraw/zinc/82/60/75/529826075.db2.gz SBNXYZBQPXXRCJ-SNVBAGLBSA-N 1 2 248.286 0.285 20 0 BCADLO CN1C[C@H](C[N@H+]2CCc3cncnc3C2)OC1=O ZINC000496460571 529826076 /nfs/dbraw/zinc/82/60/76/529826076.db2.gz SBNXYZBQPXXRCJ-SNVBAGLBSA-N 1 2 248.286 0.285 20 0 BCADLO CN1C[C@@H](C[N@H+](C2CC2)C2COC2)OC1=O ZINC000496177790 529816946 /nfs/dbraw/zinc/81/69/46/529816946.db2.gz JDZRZLJLTNWIOA-JTQLQIEISA-N 1 2 226.276 0.300 20 0 BCADLO CN1C[C@@H](C[N@@H+](C2CC2)C2COC2)OC1=O ZINC000496177790 529816948 /nfs/dbraw/zinc/81/69/48/529816948.db2.gz JDZRZLJLTNWIOA-JTQLQIEISA-N 1 2 226.276 0.300 20 0 BCADLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccccn2)CC1 ZINC000061678897 343727954 /nfs/dbraw/zinc/72/79/54/343727954.db2.gz GMSVVMGOAJCZQW-NSHDSACASA-N 1 2 248.330 0.468 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CC2 ZINC000584168554 343768319 /nfs/dbraw/zinc/76/83/19/343768319.db2.gz OURRBPUAJLOYJB-SECBINFHSA-N 1 2 205.261 0.929 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC12CC2 ZINC000584168554 343768320 /nfs/dbraw/zinc/76/83/20/343768320.db2.gz OURRBPUAJLOYJB-SECBINFHSA-N 1 2 205.261 0.929 20 0 BCADLO CN(CC(=O)NC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493211391 529832076 /nfs/dbraw/zinc/83/20/76/529832076.db2.gz ZCFVGEWHJKQXJZ-PLNGDYQASA-N 1 2 248.286 0.160 20 0 BCADLO COc1ccncc1C[N@H+](C)C(C)(C)C(N)=O ZINC000625450694 343777929 /nfs/dbraw/zinc/77/79/29/343777929.db2.gz VNVBMIMQWMHBJW-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ccncc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000625450694 343777930 /nfs/dbraw/zinc/77/79/30/343777930.db2.gz VNVBMIMQWMHBJW-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnns1 ZINC000584122783 343762803 /nfs/dbraw/zinc/76/28/03/343762803.db2.gz CFPKTDCHUAMOHN-UHFFFAOYSA-N 1 2 237.288 0.685 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCSC1 ZINC000336531394 537813743 /nfs/dbraw/zinc/81/37/43/537813743.db2.gz MEUZTHLUJUTFHM-QMMMGPOBSA-N 1 2 225.317 0.789 20 0 BCADLO CN(CC1(CO)CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493591181 529853226 /nfs/dbraw/zinc/85/32/26/529853226.db2.gz VVZFMIOFDHURDU-IHWYPQMZSA-N 1 2 235.287 0.654 20 0 BCADLO CNC(=O)CCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493728103 529854767 /nfs/dbraw/zinc/85/47/67/529854767.db2.gz SSWCTDDYPYKDCB-ARJAWSKDSA-N 1 2 236.275 0.017 20 0 BCADLO CCN(CC)C(=O)CN(C)Cc1cn(C)c[nH+]1 ZINC000683897025 488238965 /nfs/dbraw/zinc/23/89/65/488238965.db2.gz JNMBGDYLDNLNSE-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCSCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603195767 349882988 /nfs/dbraw/zinc/88/29/88/349882988.db2.gz BOQYUHPZEBAELO-JTQLQIEISA-N 1 2 242.348 0.692 20 0 BCADLO c1ccc(N2CCN(c3nccnn3)CC2)[nH+]c1 ZINC000624443132 343879056 /nfs/dbraw/zinc/87/90/56/343879056.db2.gz PGFKWMWGORLWHJ-UHFFFAOYSA-N 1 2 242.286 0.593 20 0 BCADLO O[C@H](C[NH2+]Cc1ccn[nH]1)COc1ccccc1 ZINC000066971374 349884123 /nfs/dbraw/zinc/88/41/23/349884123.db2.gz FCDQGNQCPYZWLC-GFCCVEGCSA-N 1 2 247.298 0.939 20 0 BCADLO COCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672156506 488242683 /nfs/dbraw/zinc/24/26/83/488242683.db2.gz MIFVAJMBVUHCGB-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CC[C@@H](C)n1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603200560 349885500 /nfs/dbraw/zinc/88/55/00/349885500.db2.gz ZEZBGXICMOHPKS-VXNVDRBHSA-N 1 2 226.280 0.292 20 0 BCADLO O=C(COCC(F)F)NCc1[nH]cc[nH+]1 ZINC000625490830 343886166 /nfs/dbraw/zinc/88/61/66/343886166.db2.gz ZAFLCIOSIHTWDS-UHFFFAOYSA-N 1 2 219.191 0.308 20 0 BCADLO CCOC(=O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000603203424 349886537 /nfs/dbraw/zinc/88/65/37/349886537.db2.gz HRKTUXRPLRHCFW-UHFFFAOYSA-N 1 2 235.247 0.237 20 0 BCADLO CC[C@@](C)(O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641217480 362280920 /nfs/dbraw/zinc/28/09/20/362280920.db2.gz SFZIYKSFOFSGCX-WDEREUQCSA-N 1 2 240.307 0.100 20 0 BCADLO O=C1C[N@H+](Cc2cccc3n[nH]cc32)CCN1 ZINC000628120150 343968650 /nfs/dbraw/zinc/96/86/50/343968650.db2.gz ZYXWHVHYKORCSH-UHFFFAOYSA-N 1 2 230.271 0.495 20 0 BCADLO O=C1C[N@@H+](Cc2cccc3n[nH]cc32)CCN1 ZINC000628120150 343968652 /nfs/dbraw/zinc/96/86/52/343968652.db2.gz ZYXWHVHYKORCSH-UHFFFAOYSA-N 1 2 230.271 0.495 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492907925 529955283 /nfs/dbraw/zinc/95/52/83/529955283.db2.gz FJXSANFQQMOKAG-PBKGFPTLSA-N 1 2 235.287 0.918 20 0 BCADLO COC1CC(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000625742901 344061862 /nfs/dbraw/zinc/06/18/62/344061862.db2.gz RGFXLVSDJCRJFQ-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO COC1CC(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000625742901 344061865 /nfs/dbraw/zinc/06/18/65/344061865.db2.gz RGFXLVSDJCRJFQ-UHFFFAOYSA-N 1 2 209.249 0.451 20 0 BCADLO CCC(C)(C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641252516 362331483 /nfs/dbraw/zinc/33/14/83/362331483.db2.gz NZWOPICHBLFZDC-UHFFFAOYSA-N 1 2 245.348 0.991 20 0 BCADLO C[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000641241557 362301175 /nfs/dbraw/zinc/30/11/75/362301175.db2.gz MFBZGYQLFROPRJ-VIFPVBQESA-N 1 2 207.277 0.974 20 0 BCADLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641259517 362335932 /nfs/dbraw/zinc/33/59/32/362335932.db2.gz BLVMAXFZTCTJHI-SECBINFHSA-N 1 2 243.332 0.601 20 0 BCADLO CCNC(=O)CN(CC)c1cc(CO)cc[nH+]1 ZINC000641260974 362336981 /nfs/dbraw/zinc/33/69/81/362336981.db2.gz MHKIFDLYZXIIKI-UHFFFAOYSA-N 1 2 237.303 0.536 20 0 BCADLO CN(CC(=O)N1CCCC1)c1cc(CO)cc[nH+]1 ZINC000641268791 362337487 /nfs/dbraw/zinc/33/74/87/362337487.db2.gz MHYRELPNWPNAHF-UHFFFAOYSA-N 1 2 249.314 0.633 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ccccn1 ZINC000624619097 344105562 /nfs/dbraw/zinc/10/55/62/344105562.db2.gz VBHIBAUOIKQJKG-SNVBAGLBSA-N 1 2 207.277 0.824 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ccccn1 ZINC000624619097 344105565 /nfs/dbraw/zinc/10/55/65/344105565.db2.gz VBHIBAUOIKQJKG-SNVBAGLBSA-N 1 2 207.277 0.824 20 0 BCADLO COc1ccnc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000624619078 344105642 /nfs/dbraw/zinc/10/56/42/344105642.db2.gz UIDFNJSHQYAEFJ-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO COc1ccnc(NC[C@H]2COCC[N@H+]2C)n1 ZINC000624619078 344105646 /nfs/dbraw/zinc/10/56/46/344105646.db2.gz UIDFNJSHQYAEFJ-VIFPVBQESA-N 1 2 238.291 0.228 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2nc[nH]c21 ZINC000624620161 344106139 /nfs/dbraw/zinc/10/61/39/344106139.db2.gz WOAKPLSAFUXPRO-MRVPVSSYSA-N 1 2 248.290 0.047 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNc1ncnc2nc[nH]c21 ZINC000624620161 344106140 /nfs/dbraw/zinc/10/61/40/344106140.db2.gz WOAKPLSAFUXPRO-MRVPVSSYSA-N 1 2 248.290 0.047 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)nc1C ZINC000624621099 344106499 /nfs/dbraw/zinc/10/64/99/344106499.db2.gz UCYWYEMRWAHRGQ-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)nc1C ZINC000624621099 344106501 /nfs/dbraw/zinc/10/65/01/344106501.db2.gz UCYWYEMRWAHRGQ-LLVKDONJSA-N 1 2 236.319 0.836 20 0 BCADLO C[C@@H]1C[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641299105 362350794 /nfs/dbraw/zinc/35/07/94/362350794.db2.gz GHZNTSAYAGMCEB-ZJUUUORDSA-N 1 2 243.332 0.459 20 0 BCADLO Cn1cc(CCNc2cc(CO)cc[nH+]2)cn1 ZINC000641300193 362351149 /nfs/dbraw/zinc/35/11/49/362351149.db2.gz XGIIHFQRUBPJFS-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO CNc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000230116435 344174646 /nfs/dbraw/zinc/17/46/46/344174646.db2.gz ATFUDXNPZCZOAK-SSDOTTSWSA-N 1 2 246.274 0.732 20 0 BCADLO COCCOCCNc1cc(CO)cc[nH+]1 ZINC000641310146 362359371 /nfs/dbraw/zinc/35/93/71/362359371.db2.gz YJDDFZJWAJCYGF-UHFFFAOYSA-N 1 2 226.276 0.649 20 0 BCADLO O=C1CN(c2cc[nH+]c3ccncc32)CCN1 ZINC000085652621 344207484 /nfs/dbraw/zinc/20/74/84/344207484.db2.gz QNYDJJYVHASCTC-UHFFFAOYSA-N 1 2 228.255 0.566 20 0 BCADLO COC[C@@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000086586370 344219744 /nfs/dbraw/zinc/21/97/44/344219744.db2.gz BIATZJWLDVDRFH-LLVKDONJSA-N 1 2 224.260 0.726 20 0 BCADLO CC(=O)NC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641322474 362363089 /nfs/dbraw/zinc/36/30/89/362363089.db2.gz UZCVOAXGCKHEMM-UHFFFAOYSA-N 1 2 249.314 0.679 20 0 BCADLO Cc1cc(N2CCNC(=O)[C@@H]2C)nc[nH+]1 ZINC000408220401 344254823 /nfs/dbraw/zinc/25/48/23/344254823.db2.gz WCTKBBXYYMAKRF-QMMMGPOBSA-N 1 2 206.249 0.110 20 0 BCADLO C[N@H+](Cc1nnnn1C(C)(C)C)C1CC(O)C1 ZINC000408248598 344271975 /nfs/dbraw/zinc/27/19/75/344271975.db2.gz VWAIENJVRULRBF-UHFFFAOYSA-N 1 2 239.323 0.383 20 0 BCADLO C[N@@H+](Cc1nnnn1C(C)(C)C)C1CC(O)C1 ZINC000408248598 344271977 /nfs/dbraw/zinc/27/19/77/344271977.db2.gz VWAIENJVRULRBF-UHFFFAOYSA-N 1 2 239.323 0.383 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H]2COC[C@@H]2C1)n1cc[nH+]c1 ZINC000634773030 344290790 /nfs/dbraw/zinc/29/07/90/344290790.db2.gz MNLCKYJRUDMHMM-SDDRHHMPSA-N 1 2 249.314 0.939 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774634 344294721 /nfs/dbraw/zinc/29/47/21/344294721.db2.gz ZMOXDLFHYPYWKL-GARJFASQSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774634 344294723 /nfs/dbraw/zinc/29/47/23/344294723.db2.gz ZMOXDLFHYPYWKL-GARJFASQSA-N 1 2 249.314 0.693 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869306 344241435 /nfs/dbraw/zinc/24/14/35/344241435.db2.gz GPWYFKQLHBGOKG-VIFPVBQESA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869306 344241437 /nfs/dbraw/zinc/24/14/37/344241437.db2.gz GPWYFKQLHBGOKG-VIFPVBQESA-N 1 2 241.335 0.098 20 0 BCADLO COC(=O)[C@H]1COCC[N@@H+]1CC(C)C ZINC000133101851 344312489 /nfs/dbraw/zinc/31/24/89/344312489.db2.gz YXRKNSZLIORQHU-SECBINFHSA-N 1 2 201.266 0.516 20 0 BCADLO COC(=O)[C@H]1COCC[N@H+]1CC(C)C ZINC000133101851 344312492 /nfs/dbraw/zinc/31/24/92/344312492.db2.gz YXRKNSZLIORQHU-SECBINFHSA-N 1 2 201.266 0.516 20 0 BCADLO CC1(C)CN(Cc2c[nH+]c[nH]2)CCS1(=O)=O ZINC000093735425 344321463 /nfs/dbraw/zinc/32/14/63/344321463.db2.gz SZDBEXMVOKARBF-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CC1(C)CN(Cc2c[nH]c[nH+]2)CCS1(=O)=O ZINC000093735425 344321465 /nfs/dbraw/zinc/32/14/65/344321465.db2.gz SZDBEXMVOKARBF-UHFFFAOYSA-N 1 2 243.332 0.419 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782062 344323545 /nfs/dbraw/zinc/32/35/45/344323545.db2.gz ZURSNIZHWVMMCV-DTORHVGOSA-N 1 2 223.276 0.710 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782062 344323546 /nfs/dbraw/zinc/32/35/46/344323546.db2.gz ZURSNIZHWVMMCV-DTORHVGOSA-N 1 2 223.276 0.710 20 0 BCADLO CC(C)C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000143246852 344331515 /nfs/dbraw/zinc/33/15/15/344331515.db2.gz ROMOAGDCBJMMSR-UHFFFAOYSA-N 1 2 242.363 0.805 20 0 BCADLO CCC[N@H+](CC(=O)NC(C)C)CC(=O)N(C)C ZINC000056510855 344331990 /nfs/dbraw/zinc/33/19/90/344331990.db2.gz PRPBRRKJGHOOGA-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO CCC[N@@H+](CC(=O)NC(C)C)CC(=O)N(C)C ZINC000056510855 344331992 /nfs/dbraw/zinc/33/19/92/344331992.db2.gz PRPBRRKJGHOOGA-UHFFFAOYSA-N 1 2 243.351 0.311 20 0 BCADLO Cn1ncc2c1nc[nH+]c2SCc1nn[nH]n1 ZINC000095216143 344334202 /nfs/dbraw/zinc/33/42/02/344334202.db2.gz MTVDHBYEIZYNFL-UHFFFAOYSA-N 1 2 248.275 0.169 20 0 BCADLO C[C@@H](c1ccncc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000600630373 344345333 /nfs/dbraw/zinc/34/53/33/344345333.db2.gz XKWOQUGWGIRYSS-NSHDSACASA-N 1 2 248.330 0.246 20 0 BCADLO C[C@H](c1ccncc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000600630372 344345408 /nfs/dbraw/zinc/34/54/08/344345408.db2.gz XKWOQUGWGIRYSS-LLVKDONJSA-N 1 2 248.330 0.246 20 0 BCADLO CN(Cc1cc[nH]n1)c1cc(CO)cc[nH+]1 ZINC000641372066 362379847 /nfs/dbraw/zinc/37/98/47/362379847.db2.gz NOVXSEDWBRZQQD-UHFFFAOYSA-N 1 2 218.260 0.933 20 0 BCADLO CC1(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641370320 362380292 /nfs/dbraw/zinc/38/02/92/362380292.db2.gz UTDIHTTXKUQXDC-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO CN(C[C@H]1CCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492907924 529970716 /nfs/dbraw/zinc/97/07/16/529970716.db2.gz FJXSANFQQMOKAG-MXQLGCADSA-N 1 2 235.287 0.918 20 0 BCADLO CN1C[C@H](Nc2cc[nH+]cc2F)CCC1=O ZINC000641385890 362386790 /nfs/dbraw/zinc/38/67/90/362386790.db2.gz WNGPOVQMZMRVMQ-MRVPVSSYSA-N 1 2 223.251 0.675 20 0 BCADLO C[N@H+](CCO)CC(=O)Nc1nccs1 ZINC000041392318 344433709 /nfs/dbraw/zinc/43/37/09/344433709.db2.gz RBPDEFZGXFRLGU-UHFFFAOYSA-N 1 2 215.278 0.006 20 0 BCADLO C[N@@H+](CCO)CC(=O)Nc1nccs1 ZINC000041392318 344433711 /nfs/dbraw/zinc/43/37/11/344433711.db2.gz RBPDEFZGXFRLGU-UHFFFAOYSA-N 1 2 215.278 0.006 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590377488 347050481 /nfs/dbraw/zinc/05/04/81/347050481.db2.gz BZRJGYPSWNMTHQ-JGVFFNPUSA-N 1 2 249.270 0.104 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590377488 347050484 /nfs/dbraw/zinc/05/04/84/347050484.db2.gz BZRJGYPSWNMTHQ-JGVFFNPUSA-N 1 2 249.270 0.104 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC000684069105 488259722 /nfs/dbraw/zinc/25/97/22/488259722.db2.gz HMDNKKVNUQVDAD-SRVKXCTJSA-N 1 2 240.347 0.822 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(O)cc1 ZINC000168600842 537845675 /nfs/dbraw/zinc/84/56/75/537845675.db2.gz WVXBXGYECNYQKX-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(O)cc1 ZINC000168600842 537845683 /nfs/dbraw/zinc/84/56/83/537845683.db2.gz WVXBXGYECNYQKX-GXFFZTMASA-N 1 2 237.299 0.974 20 0 BCADLO O[C@@H]1COC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000631430952 344453790 /nfs/dbraw/zinc/45/37/90/344453790.db2.gz KVPBSWVCSBNIHI-DTWKUNHWSA-N 1 2 236.275 0.223 20 0 BCADLO O[C@@H]1COC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000631430952 344453791 /nfs/dbraw/zinc/45/37/91/344453791.db2.gz KVPBSWVCSBNIHI-DTWKUNHWSA-N 1 2 236.275 0.223 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1ncnc2c1C[N@H+](C)CC2 ZINC000408292585 344465991 /nfs/dbraw/zinc/46/59/91/344465991.db2.gz UGTXXANSSNTWEQ-VHSXEESVSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@H]1C[C@@H](O)CN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000408292585 344465993 /nfs/dbraw/zinc/46/59/93/344465993.db2.gz UGTXXANSSNTWEQ-VHSXEESVSA-N 1 2 248.330 0.424 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCSC[C@H]2C(N)=O)O1 ZINC000408305362 344476501 /nfs/dbraw/zinc/47/65/01/344476501.db2.gz JIOSGTZQFVNNGY-BBBLOLIVSA-N 1 2 244.360 0.457 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCSC[C@H]2C(N)=O)O1 ZINC000408305362 344476503 /nfs/dbraw/zinc/47/65/03/344476503.db2.gz JIOSGTZQFVNNGY-BBBLOLIVSA-N 1 2 244.360 0.457 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000381299581 344493377 /nfs/dbraw/zinc/49/33/77/344493377.db2.gz HRZGOAVFUNYDKY-QMMMGPOBSA-N 1 2 220.280 0.488 20 0 BCADLO CNC(=O)[C@@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000641415765 362402630 /nfs/dbraw/zinc/40/26/30/362402630.db2.gz YSCDSFMJUPQRQM-VIFPVBQESA-N 1 2 237.303 0.392 20 0 BCADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](O)C1 ZINC000152314963 344518466 /nfs/dbraw/zinc/51/84/66/344518466.db2.gz SGRRPWPJPNNRJG-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](O)C1 ZINC000152314963 344518469 /nfs/dbraw/zinc/51/84/69/344518469.db2.gz SGRRPWPJPNNRJG-RQJHMYQMSA-N 1 2 240.225 0.120 20 0 BCADLO O[C@]1(CNc2cc[nH+]cc2F)CCSC1 ZINC000641414185 362404753 /nfs/dbraw/zinc/40/47/53/362404753.db2.gz DEWGXPYPSXIDBU-JTQLQIEISA-N 1 2 228.292 0.923 20 0 BCADLO Fc1c[nH+]ccc1NCc1nnnn1C1CC1 ZINC000641405329 362397227 /nfs/dbraw/zinc/39/72/27/362397227.db2.gz WBWNHTJDVAAHFO-UHFFFAOYSA-N 1 2 234.238 0.576 20 0 BCADLO COC[C@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000641468436 362436910 /nfs/dbraw/zinc/43/69/10/362436910.db2.gz BQRYGVGOGUKVGL-SNVBAGLBSA-N 1 2 226.276 0.383 20 0 BCADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641469043 362437610 /nfs/dbraw/zinc/43/76/10/362437610.db2.gz GPRVNIAICYKYNB-MNOVXSKESA-N 1 2 249.314 0.901 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641469044 362437981 /nfs/dbraw/zinc/43/79/81/362437981.db2.gz GPRVNIAICYKYNB-QWRGUYRKSA-N 1 2 249.314 0.901 20 0 BCADLO COC[C@@H](O)CCNc1cc[nH+]cc1F ZINC000641471368 362440486 /nfs/dbraw/zinc/44/04/86/362440486.db2.gz XLQWGTALENRVFN-QMMMGPOBSA-N 1 2 214.240 0.452 20 0 BCADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641471384 362441879 /nfs/dbraw/zinc/44/18/79/362441879.db2.gz XQZUTZRZMRCSHT-WPRPVWTQSA-N 1 2 237.278 0.969 20 0 BCADLO C[C@@](O)(CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000309783258 259377550 /nfs/dbraw/zinc/37/75/50/259377550.db2.gz RTFYVMMHOQVCHW-LLVKDONJSA-N 1 2 223.276 0.160 20 0 BCADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CO)no1 ZINC000048346801 344586641 /nfs/dbraw/zinc/58/66/41/344586641.db2.gz SGYSFYKFUUPYHQ-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO Cc1nc(C[N@H+]2CCCC[C@H]2CO)no1 ZINC000048346801 344586644 /nfs/dbraw/zinc/58/66/44/344586644.db2.gz SGYSFYKFUUPYHQ-VIFPVBQESA-N 1 2 211.265 0.725 20 0 BCADLO CN1CCC[C@@H](Nc2cc(CO)cc[nH+]2)C1=O ZINC000641436959 362417516 /nfs/dbraw/zinc/41/75/16/362417516.db2.gz IXSPYTYJOHURQW-SNVBAGLBSA-N 1 2 235.287 0.607 20 0 BCADLO Fc1c[nH+]ccc1NCCCn1ccnn1 ZINC000641487884 362455499 /nfs/dbraw/zinc/45/54/99/362455499.db2.gz WBJKNXPDQPOHCY-UHFFFAOYSA-N 1 2 221.239 0.736 20 0 BCADLO COC[C@@H](CNc1cc[nH+]cc1F)OC ZINC000641485843 362456476 /nfs/dbraw/zinc/45/64/76/362456476.db2.gz RKMYTRROXJOZMT-MRVPVSSYSA-N 1 2 214.240 0.716 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)COCC(F)F ZINC000625966489 344614736 /nfs/dbraw/zinc/61/47/36/344614736.db2.gz GBNLJZNUBSFLFH-UHFFFAOYSA-N 1 2 233.218 0.616 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@H](n3cncn3)C2)c1 ZINC000641501384 362464551 /nfs/dbraw/zinc/46/45/51/362464551.db2.gz YHEIEXAWUBNODQ-NSHDSACASA-N 1 2 245.286 0.617 20 0 BCADLO O=S1(=O)CC(CCNc2cc[nH+]cc2F)C1 ZINC000641540641 362489025 /nfs/dbraw/zinc/48/90/25/362489025.db2.gz KTJVTSLRGVYGIF-UHFFFAOYSA-N 1 2 244.291 0.489 20 0 BCADLO Cn1cc[nH+]c1CN1CCO[C@@H](CCF)C1 ZINC000626002939 344663752 /nfs/dbraw/zinc/66/37/52/344663752.db2.gz XGMDPBZNJUOVFT-JTQLQIEISA-N 1 2 227.283 0.981 20 0 BCADLO CN1CC[C@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626003078 344663780 /nfs/dbraw/zinc/66/37/80/344663780.db2.gz ZNABQJOIVXISRQ-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO CN1CC[C@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626003078 344663783 /nfs/dbraw/zinc/66/37/83/344663783.db2.gz ZNABQJOIVXISRQ-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002921 344663956 /nfs/dbraw/zinc/66/39/56/344663956.db2.gz WXFJUQGFXOIOAG-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626002921 344663958 /nfs/dbraw/zinc/66/39/58/344663958.db2.gz WXFJUQGFXOIOAG-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO O[C@H](C[N@@H+]1CCO[C@@H](CCF)C1)C(F)(F)F ZINC000626004805 344666937 /nfs/dbraw/zinc/66/69/37/344666937.db2.gz OVFVYBSMJUHXPA-JGVFFNPUSA-N 1 2 245.216 0.970 20 0 BCADLO O[C@H](C[N@H+]1CCO[C@@H](CCF)C1)C(F)(F)F ZINC000626004805 344666939 /nfs/dbraw/zinc/66/69/39/344666939.db2.gz OVFVYBSMJUHXPA-JGVFFNPUSA-N 1 2 245.216 0.970 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077577 344722466 /nfs/dbraw/zinc/72/24/66/344722466.db2.gz MPXVIYLMTZZNMN-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccncc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077577 344722469 /nfs/dbraw/zinc/72/24/69/344722469.db2.gz MPXVIYLMTZZNMN-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000626077692 344722569 /nfs/dbraw/zinc/72/25/69/344722569.db2.gz PBMWODCVOVTWCP-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1ccnc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000626077692 344722570 /nfs/dbraw/zinc/72/25/70/344722570.db2.gz PBMWODCVOVTWCP-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000626077597 344722714 /nfs/dbraw/zinc/72/27/14/344722714.db2.gz NIJWXFYJKDSBPM-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626077597 344722716 /nfs/dbraw/zinc/72/27/16/344722716.db2.gz NIJWXFYJKDSBPM-SSDOTTSWSA-N 1 2 240.225 0.515 20 0 BCADLO NC(=O)C[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000626076500 344723308 /nfs/dbraw/zinc/72/33/08/344723308.db2.gz ODGWZPIXSPUUFQ-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO NC(=O)C[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000626076500 344723309 /nfs/dbraw/zinc/72/33/09/344723309.db2.gz ODGWZPIXSPUUFQ-MRVPVSSYSA-N 1 2 241.316 0.219 20 0 BCADLO Cc1nocc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076434 344723407 /nfs/dbraw/zinc/72/34/07/344723407.db2.gz MGUACCMERSFWJK-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO Cc1nocc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076434 344723408 /nfs/dbraw/zinc/72/34/08/344723408.db2.gz MGUACCMERSFWJK-SNVBAGLBSA-N 1 2 239.275 0.059 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000153005916 344732189 /nfs/dbraw/zinc/73/21/89/344732189.db2.gz OTOBCFSSVSHWMW-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000153005916 344732190 /nfs/dbraw/zinc/73/21/90/344732190.db2.gz OTOBCFSSVSHWMW-GHMZBOCLSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000153006022 344732304 /nfs/dbraw/zinc/73/23/04/344732304.db2.gz OTOBCFSSVSHWMW-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000153006022 344732306 /nfs/dbraw/zinc/73/23/06/344732306.db2.gz OTOBCFSSVSHWMW-WDEREUQCSA-N 1 2 245.319 0.410 20 0 BCADLO CN(Cc1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861437 530017552 /nfs/dbraw/zinc/01/75/52/530017552.db2.gz JMOKTQBNGVNPIY-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO CCc1nc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)no1 ZINC000626037523 344689219 /nfs/dbraw/zinc/68/92/19/344689219.db2.gz SMSYJGCKHWUOGO-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)no1 ZINC000626037523 344689220 /nfs/dbraw/zinc/68/92/20/344689220.db2.gz SMSYJGCKHWUOGO-OCAPTIKFSA-N 1 2 238.291 0.328 20 0 BCADLO CC(=O)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000622499551 344703262 /nfs/dbraw/zinc/70/32/62/344703262.db2.gz APVNANYMIWIBQY-UHFFFAOYSA-N 1 2 249.314 0.012 20 0 BCADLO C[C@@H](NC(=O)c1cnccn1)c1[nH+]ccn1C ZINC000082279145 344713640 /nfs/dbraw/zinc/71/36/40/344713640.db2.gz DAXMTSFRIWKNCQ-MRVPVSSYSA-N 1 2 231.259 0.701 20 0 BCADLO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)OCC ZINC000050066501 344718208 /nfs/dbraw/zinc/71/82/08/344718208.db2.gz RBDHZTNIIJQRHF-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)OCC ZINC000050066501 344718209 /nfs/dbraw/zinc/71/82/09/344718209.db2.gz RBDHZTNIIJQRHF-VIFPVBQESA-N 1 2 231.292 0.823 20 0 BCADLO CSC[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000075123693 344767301 /nfs/dbraw/zinc/76/73/01/344767301.db2.gz DVDMSNDSHJXTTJ-SNVBAGLBSA-N 1 2 243.332 0.562 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC(=O)OC(C)C ZINC000075712703 344784974 /nfs/dbraw/zinc/78/49/74/344784974.db2.gz RKQSTADMPAWYST-UHFFFAOYSA-N 1 2 231.292 0.869 20 0 BCADLO COCc1noc([C@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000181915536 347077499 /nfs/dbraw/zinc/07/74/99/347077499.db2.gz GFSGQGPGPGWSDT-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO COCc1noc([C@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000181915536 347077502 /nfs/dbraw/zinc/07/75/02/347077502.db2.gz GFSGQGPGPGWSDT-BDAKNGLRSA-N 1 2 243.307 0.980 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335941004 534968331 /nfs/dbraw/zinc/96/83/31/534968331.db2.gz MKTNCYLUEJBJLW-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335941004 534968339 /nfs/dbraw/zinc/96/83/39/534968339.db2.gz MKTNCYLUEJBJLW-RYUDHWBXSA-N 1 2 241.379 0.878 20 0 BCADLO CO[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000076243709 344803122 /nfs/dbraw/zinc/80/31/22/344803122.db2.gz OTSWVQZBFOFTGK-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709089 344808452 /nfs/dbraw/zinc/80/84/52/344808452.db2.gz XSRWWKJSLZSEIF-WPRPVWTQSA-N 1 2 228.292 0.148 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709089 344808455 /nfs/dbraw/zinc/80/84/55/344808455.db2.gz XSRWWKJSLZSEIF-WPRPVWTQSA-N 1 2 228.292 0.148 20 0 BCADLO CCO[C@H](C)c1noc(C[N@H+](CC)CCO)n1 ZINC000076719281 344808878 /nfs/dbraw/zinc/80/88/78/344808878.db2.gz URQYOLPEFWBHJD-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO CCO[C@H](C)c1noc(C[N@@H+](CC)CCO)n1 ZINC000076719281 344808880 /nfs/dbraw/zinc/80/88/80/344808880.db2.gz URQYOLPEFWBHJD-SECBINFHSA-N 1 2 243.307 0.981 20 0 BCADLO C[C@H](NC(=O)c1cc(=O)[nH]cn1)c1[nH+]ccn1C ZINC000628148985 344835548 /nfs/dbraw/zinc/83/55/48/344835548.db2.gz IEIHYWWFHHPPGN-ZETCQYMHSA-N 1 2 247.258 0.407 20 0 BCADLO C[C@@H](NC(=O)COCC(F)F)c1[nH+]ccn1C ZINC000628149002 344835590 /nfs/dbraw/zinc/83/55/90/344835590.db2.gz IYVKYRJZWXTCJH-SSDOTTSWSA-N 1 2 247.245 0.879 20 0 BCADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000588936127 344822940 /nfs/dbraw/zinc/82/29/40/344822940.db2.gz JAIHKYVNEJUVLY-UTUOFQBUSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000588936129 344823096 /nfs/dbraw/zinc/82/30/96/344823096.db2.gz JAIHKYVNEJUVLY-WOPDTQHZSA-N 1 2 239.363 0.395 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H](C)CO)s1 ZINC000678624739 488273630 /nfs/dbraw/zinc/27/36/30/488273630.db2.gz ORUGVAPQOWMTMP-ZETCQYMHSA-N 1 2 215.322 0.907 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000387783919 347083272 /nfs/dbraw/zinc/08/32/72/347083272.db2.gz ZLGLJTCUXINKDM-GHMZBOCLSA-N 1 2 226.320 0.169 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628148413 344833501 /nfs/dbraw/zinc/83/35/01/344833501.db2.gz PAOHQYBSOJSLDF-JTQLQIEISA-N 1 2 236.319 0.737 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000583379955 344855350 /nfs/dbraw/zinc/85/53/50/344855350.db2.gz ZZNXINHAKMVQHG-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000583379955 344855352 /nfs/dbraw/zinc/85/53/52/344855352.db2.gz ZZNXINHAKMVQHG-UHFFFAOYSA-N 1 2 225.292 0.859 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](OCCO)C2)n1 ZINC000628169622 344884541 /nfs/dbraw/zinc/88/45/41/344884541.db2.gz GNYOSQSWTOHJLD-NSHDSACASA-N 1 2 239.319 0.691 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CCC[C@H](OCCO)C2)n1 ZINC000628169622 344884544 /nfs/dbraw/zinc/88/45/44/344884544.db2.gz GNYOSQSWTOHJLD-NSHDSACASA-N 1 2 239.319 0.691 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1ncccc1F ZINC000528831188 262976775 /nfs/dbraw/zinc/97/67/75/262976775.db2.gz SRFSJEARAXOMLR-CBAPKCEASA-N 1 2 223.251 0.760 20 0 BCADLO CC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)[C@@H](C)C1 ZINC000628179115 344913928 /nfs/dbraw/zinc/91/39/28/344913928.db2.gz OIHGLFXZQPFPIX-JTQLQIEISA-N 1 2 236.319 0.771 20 0 BCADLO Cc1[nH]c(CN(C)CC(C)(CO)CO)[nH+]c1C ZINC000628179316 344914278 /nfs/dbraw/zinc/91/42/78/344914278.db2.gz VYDNPWWJDXDDDQ-UHFFFAOYSA-N 1 2 241.335 0.449 20 0 BCADLO Cc1nc(C[N@@H+](C)CC(C)(CO)CO)[nH]c1C ZINC000628179316 344914281 /nfs/dbraw/zinc/91/42/81/344914281.db2.gz VYDNPWWJDXDDDQ-UHFFFAOYSA-N 1 2 241.335 0.449 20 0 BCADLO Cc1nc(C[N@H+](C)CC(C)(CO)CO)[nH]c1C ZINC000628179316 344914283 /nfs/dbraw/zinc/91/42/83/344914283.db2.gz VYDNPWWJDXDDDQ-UHFFFAOYSA-N 1 2 241.335 0.449 20 0 BCADLO Cc1nc(C[NH+]2CCC(CCO)CC2)no1 ZINC000380458164 344962176 /nfs/dbraw/zinc/96/21/76/344962176.db2.gz SBPAMAAYTIGFLG-UHFFFAOYSA-N 1 2 225.292 0.972 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCCCO1 ZINC000158764405 344965160 /nfs/dbraw/zinc/96/51/60/344965160.db2.gz JDSKRCPXRMLWOP-AXFHLTTASA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCCCO1 ZINC000158764405 344965161 /nfs/dbraw/zinc/96/51/61/344965161.db2.gz JDSKRCPXRMLWOP-AXFHLTTASA-N 1 2 243.303 0.164 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](CO)OC[C@@H]2C)[nH+]c1C ZINC000628190267 344943649 /nfs/dbraw/zinc/94/36/49/344943649.db2.gz ACCFQOXDDSEMJI-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO Cc1[nH]c(CN2C[C@@H](CO)OC[C@H]2C)[nH+]c1C ZINC000628190266 344943794 /nfs/dbraw/zinc/94/37/94/344943794.db2.gz ACCFQOXDDSEMJI-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO COC(=O)C[N@H+](CCc1cnn(C)c1)C1CC1 ZINC000079500689 344981343 /nfs/dbraw/zinc/98/13/43/344981343.db2.gz DBXWVPOZFSOHDO-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO COC(=O)C[N@@H+](CCc1cnn(C)c1)C1CC1 ZINC000079500689 344981346 /nfs/dbraw/zinc/98/13/46/344981346.db2.gz DBXWVPOZFSOHDO-UHFFFAOYSA-N 1 2 237.303 0.600 20 0 BCADLO OC[C@H](CNc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641549125 362497990 /nfs/dbraw/zinc/49/79/90/362497990.db2.gz SYEDCXNOEFOGLP-ZJUUUORDSA-N 1 2 240.278 0.700 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000154228653 345021567 /nfs/dbraw/zinc/02/15/67/345021567.db2.gz ZMJIMVYSVCQWJA-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000154228653 345021569 /nfs/dbraw/zinc/02/15/69/345021569.db2.gz ZMJIMVYSVCQWJA-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCO1 ZINC000154818747 345052405 /nfs/dbraw/zinc/05/24/05/345052405.db2.gz JIQXEHLTMMEJAS-SECBINFHSA-N 1 2 221.260 0.609 20 0 BCADLO OCc1cc[nH+]c(N2CC[C@](F)(CO)C2)c1 ZINC000641560007 362505771 /nfs/dbraw/zinc/50/57/71/362505771.db2.gz WTVHVQIZMQBNQJ-LLVKDONJSA-N 1 2 226.251 0.485 20 0 BCADLO COC[C@](C)(O)CCNc1cc(CO)cc[nH+]1 ZINC000641614737 362550417 /nfs/dbraw/zinc/55/04/17/362550417.db2.gz WMJSGMIBOCDUFK-GFCCVEGCSA-N 1 2 240.303 0.773 20 0 BCADLO Fc1c[nH+]ccc1NC1COCCOC1 ZINC000641608136 362543950 /nfs/dbraw/zinc/54/39/50/362543950.db2.gz VTNFLHPFELASRK-UHFFFAOYSA-N 1 2 212.224 0.470 20 0 BCADLO NS(=O)(=O)CCCCNc1cc[nH+]cc1F ZINC000641610673 362546585 /nfs/dbraw/zinc/54/65/85/362546585.db2.gz AGLHATBHOLVRKN-UHFFFAOYSA-N 1 2 247.295 0.123 20 0 BCADLO C[C@@]1(O)C[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641636707 362568996 /nfs/dbraw/zinc/56/89/96/362568996.db2.gz HQYANTNDEXVVHI-JGZJWPJOSA-N 1 2 208.261 0.899 20 0 BCADLO Cn1cnc(CCCNc2cc[nH+]cc2F)n1 ZINC000641645197 362572388 /nfs/dbraw/zinc/57/23/88/362572388.db2.gz CISSHEVJNZARKR-UHFFFAOYSA-N 1 2 235.266 0.816 20 0 BCADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCO1 ZINC000155677494 345094892 /nfs/dbraw/zinc/09/48/92/345094892.db2.gz ZAWRAAXLRBGCAH-SECBINFHSA-N 1 2 221.260 0.609 20 0 BCADLO Cc1ccn2cc(CNC(=O)NCCO)[nH+]c2c1 ZINC000080100789 345099199 /nfs/dbraw/zinc/09/91/99/345099199.db2.gz GYVVYXKHSXKXSF-UHFFFAOYSA-N 1 2 248.286 0.434 20 0 BCADLO O[C@]1(CCNc2cc[nH+]cc2F)CCOC1 ZINC000641650879 362576559 /nfs/dbraw/zinc/57/65/59/362576559.db2.gz WJGOMROVEKNPOF-LLVKDONJSA-N 1 2 226.251 0.596 20 0 BCADLO Cc1cc(N2CCN(c3nc[nH]n3)CC2)nc[nH+]1 ZINC000641654111 362577767 /nfs/dbraw/zinc/57/77/67/362577767.db2.gz YKBVCOKAIHZFOL-UHFFFAOYSA-N 1 2 245.290 0.230 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(C)=O ZINC000155778071 345102001 /nfs/dbraw/zinc/10/20/01/345102001.db2.gz MZCCHTGMEKKMML-VHSXEESVSA-N 1 2 229.276 0.228 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(C)=O ZINC000155778071 345102003 /nfs/dbraw/zinc/10/20/03/345102003.db2.gz MZCCHTGMEKKMML-VHSXEESVSA-N 1 2 229.276 0.228 20 0 BCADLO C[C@@]1(CNc2cc(CO)cc[nH+]2)CCC(=O)N1 ZINC000641626248 362555290 /nfs/dbraw/zinc/55/52/90/362555290.db2.gz HAPBWBAQWKQSCA-LBPRGKRZSA-N 1 2 235.287 0.655 20 0 BCADLO CC[C@@H](Nc1cc(CO)cc[nH+]1)C(=O)NC ZINC000641625994 362555397 /nfs/dbraw/zinc/55/53/97/362555397.db2.gz ZAUGOMLYEJTHCL-SECBINFHSA-N 1 2 223.276 0.510 20 0 BCADLO C[C@@H]1[C@H](O)CCN1c1cc(CO)cc[nH+]1 ZINC000641628645 362558744 /nfs/dbraw/zinc/55/87/44/362558744.db2.gz FEYSFWGZOUKXQJ-PSASIEDQSA-N 1 2 208.261 0.533 20 0 BCADLO Cn1nccc1[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641629567 362560947 /nfs/dbraw/zinc/56/09/47/362560947.db2.gz JAJRQOZGHRCKAM-SNVBAGLBSA-N 1 2 248.286 0.453 20 0 BCADLO O=C1[C@@H]([NH2+]Cc2ccon2)C[C@H]2CCCCN12 ZINC000634983166 345161812 /nfs/dbraw/zinc/16/18/12/345161812.db2.gz HEGPZICAHGLIPP-MNOVXSKESA-N 1 2 235.287 0.918 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000175021955 534987820 /nfs/dbraw/zinc/98/78/20/534987820.db2.gz BHUAFDAXYZVRMH-MNOVXSKESA-N 1 2 228.336 0.962 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000175021955 534987821 /nfs/dbraw/zinc/98/78/21/534987821.db2.gz BHUAFDAXYZVRMH-MNOVXSKESA-N 1 2 228.336 0.962 20 0 BCADLO CO[C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000561570127 345136445 /nfs/dbraw/zinc/13/64/45/345136445.db2.gz GIQBQMPCPPNELD-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156261266 345142628 /nfs/dbraw/zinc/14/26/28/345142628.db2.gz OVCACNITJYOCQH-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156261266 345142634 /nfs/dbraw/zinc/14/26/34/345142634.db2.gz OVCACNITJYOCQH-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156261518 345142853 /nfs/dbraw/zinc/14/28/53/345142853.db2.gz OVCACNITJYOCQH-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156261518 345142854 /nfs/dbraw/zinc/14/28/54/345142854.db2.gz OVCACNITJYOCQH-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156275390 345143531 /nfs/dbraw/zinc/14/35/31/345143531.db2.gz MXRGFAYUBNYATA-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156275390 345143534 /nfs/dbraw/zinc/14/35/34/345143534.db2.gz MXRGFAYUBNYATA-WDEREUQCSA-N 1 2 228.336 0.964 20 0 BCADLO Cc1nc(N2CCC(NC(N)=O)CC2)cc[nH+]1 ZINC000408330958 345188971 /nfs/dbraw/zinc/18/89/71/345188971.db2.gz OYTZHDPMBQWSOI-UHFFFAOYSA-N 1 2 235.291 0.422 20 0 BCADLO Cc1cc(C2(C(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000635057346 345230951 /nfs/dbraw/zinc/23/09/51/345230951.db2.gz TXIXKEXOYIXYIZ-UHFFFAOYSA-N 1 2 249.314 0.789 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635164236 345262064 /nfs/dbraw/zinc/26/20/64/345262064.db2.gz NWVAKSQQZAPCAP-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000635164236 345262066 /nfs/dbraw/zinc/26/20/66/345262066.db2.gz NWVAKSQQZAPCAP-OPRDCNLKSA-N 1 2 235.287 0.761 20 0 BCADLO CC(C)C[C@@H](C(=O)NCC(N)=O)n1cc[nH+]c1 ZINC000635211272 345273212 /nfs/dbraw/zinc/27/32/12/345273212.db2.gz DKWOOAXEAYTHKU-VIFPVBQESA-N 1 2 238.291 0.072 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635224324 345278008 /nfs/dbraw/zinc/27/80/08/345278008.db2.gz MZROUUMUHORRMZ-JTQLQIEISA-N 1 2 236.319 0.676 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635224324 345278011 /nfs/dbraw/zinc/27/80/11/345278011.db2.gz MZROUUMUHORRMZ-JTQLQIEISA-N 1 2 236.319 0.676 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCCO)[nH+]1 ZINC000635248128 345284837 /nfs/dbraw/zinc/28/48/37/345284837.db2.gz HHEIQMXAQFEJIV-UHFFFAOYSA-N 1 2 211.265 0.013 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@H](CC)CO)[nH+]1 ZINC000635248755 345285467 /nfs/dbraw/zinc/28/54/67/345285467.db2.gz NLDJMKPSLYDYCC-SECBINFHSA-N 1 2 225.292 0.402 20 0 BCADLO CCc1nnc(C[NH+]2CCC([C@@H](C)O)CC2)[nH]1 ZINC000158517202 345342998 /nfs/dbraw/zinc/34/29/98/345342998.db2.gz AMMDVNYSBJDJJF-SECBINFHSA-N 1 2 238.335 0.960 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOCC1CC1 ZINC000158680057 345365663 /nfs/dbraw/zinc/36/56/63/345365663.db2.gz XPQKZOLCSHJPKO-QWRGUYRKSA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOCC1CC1 ZINC000158680057 345365666 /nfs/dbraw/zinc/36/56/66/345365666.db2.gz XPQKZOLCSHJPKO-QWRGUYRKSA-N 1 2 243.303 0.021 20 0 BCADLO Cc1cc(N2CC(O)(C(F)F)C2)nc[nH+]1 ZINC000425271923 192087341 /nfs/dbraw/zinc/08/73/41/192087341.db2.gz DVSVYYFWHVSVGK-UHFFFAOYSA-N 1 2 215.203 0.601 20 0 BCADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)COC)[nH+]1 ZINC000635429437 345365727 /nfs/dbraw/zinc/36/57/27/345365727.db2.gz ZJSFBHPGJGNVBW-SECBINFHSA-N 1 2 239.319 0.913 20 0 BCADLO CCn1cc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000641658928 362583212 /nfs/dbraw/zinc/58/32/12/362583212.db2.gz IHNVEYFONHJJOP-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)[C@@H]2CCOC2)[nH+]1 ZINC000635536902 345494649 /nfs/dbraw/zinc/49/46/49/345494649.db2.gz YNCWENKZODCFAR-SNVBAGLBSA-N 1 2 237.303 0.762 20 0 BCADLO OCC1(CO)CCN(c2cc[nH+]cc2F)C1 ZINC000641662589 362586845 /nfs/dbraw/zinc/58/68/45/362586845.db2.gz HOYXDCIWPWPJNP-UHFFFAOYSA-N 1 2 226.251 0.402 20 0 BCADLO OCc1cc[nH+]c(N2CCc3nccnc3C2)c1 ZINC000641671545 362596297 /nfs/dbraw/zinc/59/62/97/362596297.db2.gz XMCFKAZEPKTWNV-UHFFFAOYSA-N 1 2 242.282 0.927 20 0 BCADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085148 345464886 /nfs/dbraw/zinc/46/48/86/345464886.db2.gz NOSVMSYMSLEMLY-HTRCEHHLSA-N 1 2 240.225 0.249 20 0 BCADLO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085148 345464887 /nfs/dbraw/zinc/46/48/87/345464887.db2.gz NOSVMSYMSLEMLY-HTRCEHHLSA-N 1 2 240.225 0.249 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)CCCO)n1 ZINC000081564038 345478948 /nfs/dbraw/zinc/47/89/48/345478948.db2.gz PEUDJJAJTHEBQH-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000081564038 345478952 /nfs/dbraw/zinc/47/89/52/345478952.db2.gz PEUDJJAJTHEBQH-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO COc1ccc(C[N@H+](C)CC(N)=O)cn1 ZINC000085787183 345529698 /nfs/dbraw/zinc/52/96/98/345529698.db2.gz CDECNSODOUXROC-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(N)=O)cn1 ZINC000085787183 345529700 /nfs/dbraw/zinc/52/97/00/345529700.db2.gz CDECNSODOUXROC-UHFFFAOYSA-N 1 2 209.249 0.007 20 0 BCADLO COC[C@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000086586373 345533495 /nfs/dbraw/zinc/53/34/95/345533495.db2.gz BIATZJWLDVDRFH-NSHDSACASA-N 1 2 224.260 0.726 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000221471055 345539828 /nfs/dbraw/zinc/53/98/28/345539828.db2.gz UFOSCOAEGNVTLL-HLTSFMKQSA-N 1 2 201.266 0.705 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000635544942 345563569 /nfs/dbraw/zinc/56/35/69/345563569.db2.gz OAJCRHFTNGNHNJ-UHFFFAOYSA-N 1 2 247.302 0.597 20 0 BCADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)C(C)C ZINC000091542826 345597751 /nfs/dbraw/zinc/59/77/51/345597751.db2.gz RGQJJFMSIDJVCA-QMMMGPOBSA-N 1 2 212.297 0.964 20 0 BCADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)C(C)C ZINC000091542826 345597753 /nfs/dbraw/zinc/59/77/53/345597753.db2.gz RGQJJFMSIDJVCA-QMMMGPOBSA-N 1 2 212.297 0.964 20 0 BCADLO CCOCC[N@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091559292 345598996 /nfs/dbraw/zinc/59/89/96/345598996.db2.gz IZGCDDCGXOETHL-UHFFFAOYSA-N 1 2 214.269 0.369 20 0 BCADLO CCOCC[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091559292 345598999 /nfs/dbraw/zinc/59/89/99/345598999.db2.gz IZGCDDCGXOETHL-UHFFFAOYSA-N 1 2 214.269 0.369 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC3(CCC3)C2)[nH]1 ZINC000091591590 345600083 /nfs/dbraw/zinc/60/00/83/345600083.db2.gz BPEOTTIKSUXJBG-UHFFFAOYSA-N 1 2 208.265 0.474 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC3(CCC3)C2)[nH]1 ZINC000091591590 345600085 /nfs/dbraw/zinc/60/00/85/345600085.db2.gz BPEOTTIKSUXJBG-UHFFFAOYSA-N 1 2 208.265 0.474 20 0 BCADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000091140003 345588434 /nfs/dbraw/zinc/58/84/34/345588434.db2.gz DBJFTYMQQOMWLO-SECBINFHSA-N 1 2 239.275 0.341 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000641713111 362625335 /nfs/dbraw/zinc/62/53/35/362625335.db2.gz LZPHDDGOPFYIHT-GWCFXTLKSA-N 1 2 246.314 0.870 20 0 BCADLO O[C@]12C[C@H]1CN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000641713111 362625338 /nfs/dbraw/zinc/62/53/38/362625338.db2.gz LZPHDDGOPFYIHT-GWCFXTLKSA-N 1 2 246.314 0.870 20 0 BCADLO COC(=O)[C@]1(F)CC[N@H+](Cc2c[nH]nc2C)C1 ZINC000093888284 345667518 /nfs/dbraw/zinc/66/75/18/345667518.db2.gz WWKSRVOPPVQBIP-NSHDSACASA-N 1 2 241.266 0.805 20 0 BCADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000093888284 345667521 /nfs/dbraw/zinc/66/75/21/345667521.db2.gz WWKSRVOPPVQBIP-NSHDSACASA-N 1 2 241.266 0.805 20 0 BCADLO CN1CCOC[C@H]1CNc1cc[nH+]cc1F ZINC000641678906 362601159 /nfs/dbraw/zinc/60/11/59/362601159.db2.gz WIBDDASLYFYUEO-SECBINFHSA-N 1 2 225.267 0.385 20 0 BCADLO CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000140479071 345696170 /nfs/dbraw/zinc/69/61/70/345696170.db2.gz HNNLQYOIDJBVLD-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CCCN(CC(N)=O)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628292505 347087026 /nfs/dbraw/zinc/08/70/26/347087026.db2.gz GVSYAUDVABIFFW-UHFFFAOYSA-N 1 2 224.308 0.724 20 0 BCADLO O=c1[nH]cnc2c1CN(c1cccc[nH+]1)CC2 ZINC000225809003 345750896 /nfs/dbraw/zinc/75/08/96/345750896.db2.gz LQTOCYWXVLDHOJ-UHFFFAOYSA-N 1 2 228.255 0.728 20 0 BCADLO CC1(C)OCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000622636719 345700553 /nfs/dbraw/zinc/70/05/53/345700553.db2.gz ICJSHMXHMHVWMP-JTQLQIEISA-N 1 2 237.303 0.957 20 0 BCADLO C[C@@H](N(C)C(=O)CCc1[nH]cc[nH+]1)C(C)(C)O ZINC000622641685 345712748 /nfs/dbraw/zinc/71/27/48/345712748.db2.gz GBUANFACJDORIL-SECBINFHSA-N 1 2 239.319 0.960 20 0 BCADLO COC[C@@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000668419998 537912223 /nfs/dbraw/zinc/91/22/23/537912223.db2.gz RRANPFIGSUODNE-SNVBAGLBSA-N 1 2 224.260 0.412 20 0 BCADLO O=C([C@H]1C[C@@H](O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000635564860 345788066 /nfs/dbraw/zinc/78/80/66/345788066.db2.gz IMDVJMOIVSRTCH-WAAGHKOSSA-N 1 2 221.260 0.037 20 0 BCADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n(C)n1 ZINC000140743941 345822177 /nfs/dbraw/zinc/82/21/77/345822177.db2.gz FANVCMMTBMBEOI-MRVPVSSYSA-N 1 2 233.275 0.943 20 0 BCADLO CO[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000622685925 345802450 /nfs/dbraw/zinc/80/24/50/345802450.db2.gz QHKLARZEDYBPAT-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1ncnc1C[N@@H+]1CCC[C@H]1CO ZINC000083995499 133570381 /nfs/dbraw/zinc/57/03/81/133570381.db2.gz ZMQQMCKSYVMHIV-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CCC[C@H]1CO ZINC000083995499 133570382 /nfs/dbraw/zinc/57/03/82/133570382.db2.gz ZMQQMCKSYVMHIV-VIFPVBQESA-N 1 2 210.281 0.255 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635648139 345925418 /nfs/dbraw/zinc/92/54/18/345925418.db2.gz GLUHDZNKBLRFBZ-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635648139 345925419 /nfs/dbraw/zinc/92/54/19/345925419.db2.gz GLUHDZNKBLRFBZ-IVZWLZJFSA-N 1 2 235.287 0.761 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@](C)(O)C2)[nH+]1 ZINC000635649816 345926423 /nfs/dbraw/zinc/92/64/23/345926423.db2.gz UBLLWOZNPBXUCO-LBPRGKRZSA-N 1 2 237.303 0.498 20 0 BCADLO O=C(Cc1ccco1)NCc1[nH]cc[nH+]1 ZINC000340541153 537920648 /nfs/dbraw/zinc/92/06/48/537920648.db2.gz MARBOSXPXUUJBU-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000620875044 345901496 /nfs/dbraw/zinc/90/14/96/345901496.db2.gz VVYXXBFQJPKPMV-QXEWZRGKSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)O ZINC000635634932 345909439 /nfs/dbraw/zinc/90/94/39/345909439.db2.gz FLWOJZMNBOGOBN-IWSPIJDZSA-N 1 2 237.303 0.789 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)O ZINC000635634932 345909441 /nfs/dbraw/zinc/90/94/41/345909441.db2.gz FLWOJZMNBOGOBN-IWSPIJDZSA-N 1 2 237.303 0.789 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1coc(CO)c1 ZINC000635637240 345912360 /nfs/dbraw/zinc/91/23/60/345912360.db2.gz IZEJMPPLBAUSRV-UHFFFAOYSA-N 1 2 235.243 0.733 20 0 BCADLO Cc1cn2ccc(C(=O)N3CC[C@H](O)C3)cc2[nH+]1 ZINC000635641971 345914981 /nfs/dbraw/zinc/91/49/81/345914981.db2.gz JZLNUXJMMOKRGZ-NSHDSACASA-N 1 2 245.282 0.850 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CC[C@H](C)O)[nH+]1 ZINC000635643362 345917780 /nfs/dbraw/zinc/91/77/80/345917780.db2.gz HPCBSTIKBLMNBA-VIFPVBQESA-N 1 2 239.319 0.744 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1ccnn1CC ZINC000284400893 345921350 /nfs/dbraw/zinc/92/13/50/345921350.db2.gz NIAVEKMYKCRGPG-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1ccnn1CC ZINC000284400893 345921353 /nfs/dbraw/zinc/92/13/53/345921353.db2.gz NIAVEKMYKCRGPG-UHFFFAOYSA-N 1 2 239.319 0.940 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000387793542 347088928 /nfs/dbraw/zinc/08/89/28/347088928.db2.gz LWEZLKXRFSEGAM-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000387793542 347088930 /nfs/dbraw/zinc/08/89/30/347088930.db2.gz LWEZLKXRFSEGAM-MRVPVSSYSA-N 1 2 225.292 0.835 20 0 BCADLO CCn1ncnc1C[NH+]1CCC(CCO)CC1 ZINC000400968318 345965265 /nfs/dbraw/zinc/96/52/65/345965265.db2.gz LMKMIZYRQPRMSZ-UHFFFAOYSA-N 1 2 238.335 0.892 20 0 BCADLO CCc1c[nH]c(CC(=O)NCC2(CO)CC2)[nH+]1 ZINC000635684682 345977441 /nfs/dbraw/zinc/97/74/41/345977441.db2.gz XXCNTLVLYGPIMK-UHFFFAOYSA-N 1 2 237.303 0.403 20 0 BCADLO CCc1c[nH]c(CC(=O)N(CC)CCCO)[nH+]1 ZINC000635734703 346044283 /nfs/dbraw/zinc/04/42/83/346044283.db2.gz AZSCRQCYPRVFQQ-UHFFFAOYSA-N 1 2 239.319 0.746 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635735437 346044351 /nfs/dbraw/zinc/04/43/51/346044351.db2.gz JLQADVAAHLBNEG-LNLATYFQSA-N 1 2 235.287 0.808 20 0 BCADLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635735437 346044353 /nfs/dbraw/zinc/04/43/53/346044353.db2.gz JLQADVAAHLBNEG-LNLATYFQSA-N 1 2 235.287 0.808 20 0 BCADLO CCc1c[nH]c(CC(=O)N[C@]2(C)CCOC2)[nH+]1 ZINC000635737839 346045345 /nfs/dbraw/zinc/04/53/45/346045345.db2.gz YHCVCUDIWFZXCU-GFCCVEGCSA-N 1 2 237.303 0.810 20 0 BCADLO CCc1c[nH]c(CC(=O)NC(C)(C)[C@H](C)O)[nH+]1 ZINC000635753597 346049646 /nfs/dbraw/zinc/04/96/46/346049646.db2.gz NKFDHVKBUBEEAC-QMMMGPOBSA-N 1 2 239.319 0.790 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635901675 346107141 /nfs/dbraw/zinc/10/71/41/346107141.db2.gz FVEJZYODYSCTPZ-RKDXNWHRSA-N 1 2 235.287 0.497 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635901675 346107142 /nfs/dbraw/zinc/10/71/42/346107142.db2.gz FVEJZYODYSCTPZ-RKDXNWHRSA-N 1 2 235.287 0.497 20 0 BCADLO Cc1nc[nH]c1C(=O)NCCc1c[nH+]cn1C ZINC000635790201 346070333 /nfs/dbraw/zinc/07/03/33/346070333.db2.gz WGERHDXTQNWJRD-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cc1nc[nH]c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000635819879 346075700 /nfs/dbraw/zinc/07/57/00/346075700.db2.gz IXFUCKUZUNPADR-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO C[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000051822127 346090681 /nfs/dbraw/zinc/09/06/81/346090681.db2.gz ABZDHBWDZBFMJI-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO C[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000051822127 346090683 /nfs/dbraw/zinc/09/06/83/346090683.db2.gz ABZDHBWDZBFMJI-MRVPVSSYSA-N 1 2 203.282 0.641 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC000635852093 346090778 /nfs/dbraw/zinc/09/07/78/346090778.db2.gz IJSSQMFYWFNWRV-PSASIEDQSA-N 1 2 237.303 0.496 20 0 BCADLO CCc1c[nH]c(CC(=O)N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC000635852096 346090853 /nfs/dbraw/zinc/09/08/53/346090853.db2.gz IJSSQMFYWFNWRV-WPRPVWTQSA-N 1 2 237.303 0.496 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCOC1 ZINC000635914951 346108459 /nfs/dbraw/zinc/10/84/59/346108459.db2.gz QYXSLQUYOQGFLR-RKDXNWHRSA-N 1 2 221.260 0.720 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCOC1 ZINC000635914951 346108461 /nfs/dbraw/zinc/10/84/61/346108461.db2.gz QYXSLQUYOQGFLR-RKDXNWHRSA-N 1 2 221.260 0.720 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C1CC1)C1COC1 ZINC000635969584 346127426 /nfs/dbraw/zinc/12/74/26/346127426.db2.gz DKCZBECNKCWRNT-GHMZBOCLSA-N 1 2 247.298 0.903 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C1CC1)C1COC1 ZINC000635969584 346127429 /nfs/dbraw/zinc/12/74/29/346127429.db2.gz DKCZBECNKCWRNT-GHMZBOCLSA-N 1 2 247.298 0.903 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000635955788 346131812 /nfs/dbraw/zinc/13/18/12/346131812.db2.gz SZSWWUCIPQZELZ-ZJUUUORDSA-N 1 2 235.287 0.514 20 0 BCADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2COC)[nH+]1 ZINC000635961129 346133839 /nfs/dbraw/zinc/13/38/39/346133839.db2.gz BRLVRDAULKJUCW-SNVBAGLBSA-N 1 2 237.303 0.762 20 0 BCADLO O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636006136 346148122 /nfs/dbraw/zinc/14/81/22/346148122.db2.gz VUSMMZZGLOLHKP-ZDCRXTMVSA-N 1 2 249.314 0.790 20 0 BCADLO O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636006136 346148124 /nfs/dbraw/zinc/14/81/24/346148124.db2.gz VUSMMZZGLOLHKP-ZDCRXTMVSA-N 1 2 249.314 0.790 20 0 BCADLO CCc1c[nH]c(CC(=O)Nc2nccn2C)[nH+]1 ZINC000636026735 346160794 /nfs/dbraw/zinc/16/07/94/346160794.db2.gz QVZTUSFWCXIWDT-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000628241324 346203811 /nfs/dbraw/zinc/20/38/11/346203811.db2.gz RCZGPYRNNWTESY-SNVBAGLBSA-N 1 2 232.291 0.757 20 0 BCADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000628241324 346203812 /nfs/dbraw/zinc/20/38/12/346203812.db2.gz RCZGPYRNNWTESY-SNVBAGLBSA-N 1 2 232.291 0.757 20 0 BCADLO Cc1[nH]c(CN2C[C@H](C)O[C@H](CO)C2)[nH+]c1C ZINC000628247224 346214835 /nfs/dbraw/zinc/21/48/35/346214835.db2.gz SLXVMJSVOXMNSY-KWQFWETISA-N 1 2 239.319 0.608 20 0 BCADLO COCCO[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628244252 346206009 /nfs/dbraw/zinc/20/60/09/346206009.db2.gz YYINGTYIOVXZGH-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO COCCO[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628244252 346206011 /nfs/dbraw/zinc/20/60/11/346206011.db2.gz YYINGTYIOVXZGH-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO CC[N@H+](Cc1cnc(C)o1)[C@H]1CCNC1=O ZINC000628261745 346260898 /nfs/dbraw/zinc/26/08/98/346260898.db2.gz JKYDMFCYYZTCJC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO CC[N@@H+](Cc1cnc(C)o1)[C@H]1CCNC1=O ZINC000628261745 346260901 /nfs/dbraw/zinc/26/09/01/346260901.db2.gz JKYDMFCYYZTCJC-JTQLQIEISA-N 1 2 223.276 0.693 20 0 BCADLO Cc1c[nH]c(CN2CC[C@](F)(CO)C2)[nH+]1 ZINC000628264993 346266181 /nfs/dbraw/zinc/26/61/81/346266181.db2.gz LUDXEZYAWASAOI-SNVBAGLBSA-N 1 2 213.256 0.624 20 0 BCADLO CCc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000641749423 362669957 /nfs/dbraw/zinc/66/99/57/362669957.db2.gz AKHPQUPCWQJELE-UHFFFAOYSA-N 1 2 235.247 0.627 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000628280847 346292534 /nfs/dbraw/zinc/29/25/34/346292534.db2.gz LRUIYTLVRVMSQN-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@@H]2C)o1 ZINC000628280847 346292537 /nfs/dbraw/zinc/29/25/37/346292537.db2.gz LRUIYTLVRVMSQN-QMMMGPOBSA-N 1 2 223.276 0.693 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)C[C@H]2C)[nH+]1 ZINC000628280993 346292764 /nfs/dbraw/zinc/29/27/64/346292764.db2.gz UIHZRNWLOOMJHX-SECBINFHSA-N 1 2 222.292 0.429 20 0 BCADLO COC[C@H](CO)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000641751185 362679807 /nfs/dbraw/zinc/67/98/07/362679807.db2.gz VNKDGOVWUNKKPD-QMMMGPOBSA-N 1 2 247.726 0.479 20 0 BCADLO c1cn(-c2cc(N3CCOCC3)ncn2)c[nH+]1 ZINC000034457585 346287918 /nfs/dbraw/zinc/28/79/18/346287918.db2.gz BAJMRJCEPPGVLH-UHFFFAOYSA-N 1 2 231.259 0.499 20 0 BCADLO COC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000401717005 323118805 /nfs/dbraw/zinc/11/88/05/323118805.db2.gz LPRXVFDLTWECEJ-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC1(F)F ZINC000636102152 346319895 /nfs/dbraw/zinc/31/98/95/346319895.db2.gz MYDHTPIDRBADCB-CBAPKCEASA-N 1 2 241.241 0.969 20 0 BCADLO CCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000172105340 346326407 /nfs/dbraw/zinc/32/64/07/346326407.db2.gz JLUVGQBCGZKROC-UHFFFAOYSA-N 1 2 232.349 0.506 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CCCO2 ZINC000636258792 346372193 /nfs/dbraw/zinc/37/21/93/346372193.db2.gz UBRIPDIMHHIPEA-NXEZZACHSA-N 1 2 247.298 0.905 20 0 BCADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CCCO2 ZINC000636258792 346372195 /nfs/dbraw/zinc/37/21/95/346372195.db2.gz UBRIPDIMHHIPEA-NXEZZACHSA-N 1 2 247.298 0.905 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@@H](C)C(=O)NC)[nH]1 ZINC000158795190 346402784 /nfs/dbraw/zinc/40/27/84/346402784.db2.gz UMRNIMDIJGGMQA-MRVPVSSYSA-N 1 2 239.323 0.181 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)C(=O)NC)[nH]1 ZINC000158795190 346402789 /nfs/dbraw/zinc/40/27/89/346402789.db2.gz UMRNIMDIJGGMQA-MRVPVSSYSA-N 1 2 239.323 0.181 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H](O)C1 ZINC000574913705 346410672 /nfs/dbraw/zinc/41/06/72/346410672.db2.gz ITWWAMPLXRHSNL-VIFPVBQESA-N 1 2 222.292 0.259 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H](O)C1 ZINC000574913705 346410675 /nfs/dbraw/zinc/41/06/75/346410675.db2.gz ITWWAMPLXRHSNL-VIFPVBQESA-N 1 2 222.292 0.259 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000574914663 346411912 /nfs/dbraw/zinc/41/19/12/346411912.db2.gz BPSFLSVZDPNXIZ-RKDXNWHRSA-N 1 2 239.275 0.450 20 0 BCADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1ncccn1 ZINC000309942805 323123245 /nfs/dbraw/zinc/12/32/45/323123245.db2.gz CEYKFMCRPQQRBK-UHFFFAOYSA-N 1 2 222.292 0.433 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCn2nccc21 ZINC000636372468 346421948 /nfs/dbraw/zinc/42/19/48/346421948.db2.gz KFQCKDNKWNTFEX-JTQLQIEISA-N 1 2 245.286 0.731 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1F ZINC000679219491 488318710 /nfs/dbraw/zinc/31/87/10/488318710.db2.gz CXBJZRZSYKSVEB-WPRPVWTQSA-N 1 2 214.284 0.945 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1F ZINC000679219491 488318712 /nfs/dbraw/zinc/31/87/12/488318712.db2.gz CXBJZRZSYKSVEB-WPRPVWTQSA-N 1 2 214.284 0.945 20 0 BCADLO CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865875 346465968 /nfs/dbraw/zinc/46/59/68/346465968.db2.gz GXVDZZDUZNLDMO-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865875 346465970 /nfs/dbraw/zinc/46/59/70/346465970.db2.gz GXVDZZDUZNLDMO-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@]12CCOC2 ZINC000332909979 346485889 /nfs/dbraw/zinc/48/58/89/346485889.db2.gz WVBRWOYWTIZNPS-SKDRFNHKSA-N 1 2 235.287 0.761 20 0 BCADLO COCCOCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000070026960 349964341 /nfs/dbraw/zinc/96/43/41/349964341.db2.gz KEDOGSVGLZZPLI-JTQLQIEISA-N 1 2 233.308 0.437 20 0 BCADLO CC[C@@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000147506129 346499196 /nfs/dbraw/zinc/49/91/96/346499196.db2.gz AVGGCSZCVFGCPM-SECBINFHSA-N 1 2 232.349 0.316 20 0 BCADLO COCCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636447977 346569686 /nfs/dbraw/zinc/56/96/86/346569686.db2.gz QUWRJQKLNLWJBP-VIFPVBQESA-N 1 2 238.291 0.144 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ccnn2C)[C@H](C(N)=O)C1 ZINC000187391551 346573682 /nfs/dbraw/zinc/57/36/82/346573682.db2.gz XUZVUOHPPQKTBH-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ccnn2C)[C@H](C(N)=O)C1 ZINC000187391551 346573685 /nfs/dbraw/zinc/57/36/85/346573685.db2.gz XUZVUOHPPQKTBH-ONGXEEELSA-N 1 2 236.319 0.506 20 0 BCADLO O=C(C[C@@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000627366373 346585030 /nfs/dbraw/zinc/58/50/30/346585030.db2.gz QFCPSHVROADIBE-VIFPVBQESA-N 1 2 235.287 0.864 20 0 BCADLO O=C(C[C@@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000627366373 346585033 /nfs/dbraw/zinc/58/50/33/346585033.db2.gz QFCPSHVROADIBE-VIFPVBQESA-N 1 2 235.287 0.864 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000308164742 346711942 /nfs/dbraw/zinc/71/19/42/346711942.db2.gz PQCMXLRQQZHMSP-MRVPVSSYSA-N 1 2 216.281 0.006 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000308164742 346711943 /nfs/dbraw/zinc/71/19/43/346711943.db2.gz PQCMXLRQQZHMSP-MRVPVSSYSA-N 1 2 216.281 0.006 20 0 BCADLO Cc1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000173990042 179141259 /nfs/dbraw/zinc/14/12/59/179141259.db2.gz YDIQWEOXBUHHPN-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000173990042 179141261 /nfs/dbraw/zinc/14/12/61/179141261.db2.gz YDIQWEOXBUHHPN-SNVBAGLBSA-N 1 2 235.287 0.659 20 0 BCADLO COC[C@]1(C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000626174500 346758856 /nfs/dbraw/zinc/75/88/56/346758856.db2.gz SIRAEWXXHRFPDX-NSHDSACASA-N 1 2 225.292 0.647 20 0 BCADLO CC(C)c1nc(NCCS(N)(=O)=O)cc[nH+]1 ZINC000110222536 346745462 /nfs/dbraw/zinc/74/54/62/346745462.db2.gz LMIORUFMCLLBCT-UHFFFAOYSA-N 1 2 244.320 0.300 20 0 BCADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)n(C)n1 ZINC000409420719 347111338 /nfs/dbraw/zinc/11/13/38/347111338.db2.gz CZLGIUZFOIPODV-UHFFFAOYSA-N 1 2 245.286 0.622 20 0 BCADLO Cc1cc(N2C[C@H](O)C(C)(C)C2)nc[nH+]1 ZINC000387871763 347112776 /nfs/dbraw/zinc/11/27/76/347112776.db2.gz KAXYEIROPXYJAB-VIFPVBQESA-N 1 2 207.277 0.992 20 0 BCADLO COc1ccc[nH+]c1N1C[C@H](O)[C@@H](C)C1 ZINC000388056951 347168605 /nfs/dbraw/zinc/16/86/05/347168605.db2.gz PLKKZKTYWLELAN-IUCAKERBSA-N 1 2 208.261 0.907 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](C)[C@H](O)C1 ZINC000388056955 347168781 /nfs/dbraw/zinc/16/87/81/347168781.db2.gz PLKKZKTYWLELAN-RKDXNWHRSA-N 1 2 208.261 0.907 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000299891594 347149660 /nfs/dbraw/zinc/14/96/60/347149660.db2.gz WNMQLWRMGUZVBV-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000299891594 347149667 /nfs/dbraw/zinc/14/96/67/347149667.db2.gz WNMQLWRMGUZVBV-DTWKUNHWSA-N 1 2 225.292 0.835 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)n1C ZINC000299891260 347151859 /nfs/dbraw/zinc/15/18/59/347151859.db2.gz LHJFOKQFSKTYQX-WCBMZHEXSA-N 1 2 224.308 0.326 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)n1C ZINC000299891260 347151862 /nfs/dbraw/zinc/15/18/62/347151862.db2.gz LHJFOKQFSKTYQX-WCBMZHEXSA-N 1 2 224.308 0.326 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000618399932 347155658 /nfs/dbraw/zinc/15/56/58/347155658.db2.gz UFWQJGNBKKZEPP-GXSJLCMTSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1noc(C[NH2+]C[C@](C)(O)C(F)(F)F)n1 ZINC000309808136 347173514 /nfs/dbraw/zinc/17/35/14/347173514.db2.gz YFPRLOHJTUULSO-ZETCQYMHSA-N 1 2 239.197 0.781 20 0 BCADLO CCC[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000380709096 347252124 /nfs/dbraw/zinc/25/21/24/347252124.db2.gz MSWNFPJBHBHTEX-NSHDSACASA-N 1 2 225.292 0.550 20 0 BCADLO Cn1cccc1C(=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000353473862 187372780 /nfs/dbraw/zinc/37/27/80/187372780.db2.gz SXXFRVFQOWAADL-UHFFFAOYSA-N 1 2 232.243 0.247 20 0 BCADLO c1nnc2n1CC[N@@H+](CC1=CCCOC1)C2 ZINC000353638650 187372858 /nfs/dbraw/zinc/37/28/58/187372858.db2.gz SRVLNWWGUMKJKG-UHFFFAOYSA-N 1 2 220.276 0.440 20 0 BCADLO c1nnc2n1CC[N@H+](CC1=CCCOC1)C2 ZINC000353638650 187372860 /nfs/dbraw/zinc/37/28/60/187372860.db2.gz SRVLNWWGUMKJKG-UHFFFAOYSA-N 1 2 220.276 0.440 20 0 BCADLO CC[C@H](C)CS(=O)(=O)NCc1c[nH+]cn1C ZINC000349772528 537988370 /nfs/dbraw/zinc/98/83/70/537988370.db2.gz DMESEOKTYPZMBV-VIFPVBQESA-N 1 2 245.348 0.886 20 0 BCADLO O[C@H]1COCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628297880 347262186 /nfs/dbraw/zinc/26/21/86/347262186.db2.gz OTNHHSGKNWBKAZ-SNVBAGLBSA-N 1 2 238.287 0.745 20 0 BCADLO O[C@H]1COCC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628297880 347262188 /nfs/dbraw/zinc/26/21/88/347262188.db2.gz OTNHHSGKNWBKAZ-SNVBAGLBSA-N 1 2 238.287 0.745 20 0 BCADLO CC(C)NC(=S)NN1CC[NH+](C)CC1 ZINC000013826029 362809669 /nfs/dbraw/zinc/80/96/69/362809669.db2.gz SFTFWAIFLLWYOW-UHFFFAOYSA-N 1 2 216.354 0.021 20 0 BCADLO Cc1[nH]c(CN2CCOC[C@H](O)C2)[nH+]c1C ZINC000628297939 347266451 /nfs/dbraw/zinc/26/64/51/347266451.db2.gz QGVLFGHAYPNDEN-SNVBAGLBSA-N 1 2 225.292 0.220 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191151396 347343551 /nfs/dbraw/zinc/34/35/51/347343551.db2.gz YPGOBFPHTDWZTL-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191151396 347343554 /nfs/dbraw/zinc/34/35/54/347343554.db2.gz YPGOBFPHTDWZTL-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@H](CF)C1 ZINC000581248793 347347889 /nfs/dbraw/zinc/34/78/89/347347889.db2.gz OUXZZIJENNRMIY-SNVBAGLBSA-N 1 2 247.314 0.364 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@H](CF)C1 ZINC000581248793 347347891 /nfs/dbraw/zinc/34/78/91/347347891.db2.gz OUXZZIJENNRMIY-SNVBAGLBSA-N 1 2 247.314 0.364 20 0 BCADLO O=c1[nH]ncc(NCCn2cc[nH+]c2)c1Cl ZINC000082267026 347320164 /nfs/dbraw/zinc/32/01/64/347320164.db2.gz WUYNFRVTRVXNEC-UHFFFAOYSA-N 1 2 239.666 0.732 20 0 BCADLO CC(C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000082367342 347362580 /nfs/dbraw/zinc/36/25/80/347362580.db2.gz CSRDFQGODFMPQJ-UHFFFAOYSA-N 1 2 220.338 0.220 20 0 BCADLO CCc1nc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)no1 ZINC000333335767 537989484 /nfs/dbraw/zinc/98/94/84/537989484.db2.gz RVQFVEGMQVFYNT-SFYZADRCSA-N 1 2 238.291 0.389 20 0 BCADLO CS[C@H]1CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000582118535 347384372 /nfs/dbraw/zinc/38/43/72/347384372.db2.gz QUMGAMPEUZUWEJ-RQJHMYQMSA-N 1 2 213.310 0.194 20 0 BCADLO COC[C@@H](C)C[N@H+](CCO)CC(F)F ZINC000193018842 347388371 /nfs/dbraw/zinc/38/83/71/347388371.db2.gz DQHCNHCJMMWCQW-QMMMGPOBSA-N 1 2 211.252 0.828 20 0 BCADLO COC[C@@H](C)C[N@@H+](CCO)CC(F)F ZINC000193018842 347388373 /nfs/dbraw/zinc/38/83/73/347388373.db2.gz DQHCNHCJMMWCQW-QMMMGPOBSA-N 1 2 211.252 0.828 20 0 BCADLO Cc1cccc2[nH+]c(CNC(=O)CO)cn21 ZINC000270769592 179230074 /nfs/dbraw/zinc/23/00/74/179230074.db2.gz HJMWCYZTAFTOIR-UHFFFAOYSA-N 1 2 219.244 0.251 20 0 BCADLO CCO[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923694 347455143 /nfs/dbraw/zinc/45/51/43/347455143.db2.gz QQGHCKGAGZRYMF-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CCO[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923694 347455145 /nfs/dbraw/zinc/45/51/45/347455145.db2.gz QQGHCKGAGZRYMF-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CCNC(=O)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924360 347455150 /nfs/dbraw/zinc/45/51/50/347455150.db2.gz FZXVZSMJFQVMEZ-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO CCNC(=O)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924360 347455152 /nfs/dbraw/zinc/45/51/52/347455152.db2.gz FZXVZSMJFQVMEZ-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCOC1 ZINC000616924844 347456140 /nfs/dbraw/zinc/45/61/40/347456140.db2.gz YFYPWEVQKBSEOB-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCOC1 ZINC000616924844 347456143 /nfs/dbraw/zinc/45/61/43/347456143.db2.gz YFYPWEVQKBSEOB-MRVPVSSYSA-N 1 2 209.249 0.405 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccc3n[nH]cc32)CC(=O)N1 ZINC000628299432 347422972 /nfs/dbraw/zinc/42/29/72/347422972.db2.gz OLHSUXAEFRZDAK-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccc3n[nH]cc32)CC(=O)N1 ZINC000628299432 347422975 /nfs/dbraw/zinc/42/29/75/347422975.db2.gz OLHSUXAEFRZDAK-SECBINFHSA-N 1 2 244.298 0.883 20 0 BCADLO CCCC(=O)NCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924880 347456558 /nfs/dbraw/zinc/45/65/58/347456558.db2.gz ZKMRWEYRZGYFKP-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO CCCC(=O)NCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924880 347456560 /nfs/dbraw/zinc/45/65/60/347456560.db2.gz ZKMRWEYRZGYFKP-UHFFFAOYSA-N 1 2 238.291 0.284 20 0 BCADLO CCOCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571529989 323146977 /nfs/dbraw/zinc/14/69/77/323146977.db2.gz FWSVHAIIVXKPLR-UHFFFAOYSA-N 1 2 211.265 0.798 20 0 BCADLO CO[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616928910 347496148 /nfs/dbraw/zinc/49/61/48/347496148.db2.gz PHAWAYUPHPOFGU-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO CO[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616928910 347496149 /nfs/dbraw/zinc/49/61/49/347496149.db2.gz PHAWAYUPHPOFGU-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)c1cccn1C ZINC000616929280 347496675 /nfs/dbraw/zinc/49/66/75/347496675.db2.gz WNPWUROYLWOCDS-UHFFFAOYSA-N 1 2 246.270 0.590 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)c1cccn1C ZINC000616929280 347496678 /nfs/dbraw/zinc/49/66/78/347496678.db2.gz WNPWUROYLWOCDS-UHFFFAOYSA-N 1 2 246.270 0.590 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCCO1 ZINC000616926403 347458075 /nfs/dbraw/zinc/45/80/75/347458075.db2.gz AOWUYRCSWQXWRO-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCCO1 ZINC000616926403 347458080 /nfs/dbraw/zinc/45/80/80/347458080.db2.gz AOWUYRCSWQXWRO-JTQLQIEISA-N 1 2 223.276 0.937 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(O)CCCC1 ZINC000616926455 347458648 /nfs/dbraw/zinc/45/86/48/347458648.db2.gz CWYHMYXYHZPZPA-UHFFFAOYSA-N 1 2 223.276 0.673 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(O)CCCC1 ZINC000616926455 347458651 /nfs/dbraw/zinc/45/86/51/347458651.db2.gz CWYHMYXYHZPZPA-UHFFFAOYSA-N 1 2 223.276 0.673 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC(=O)C1 ZINC000616926765 347459391 /nfs/dbraw/zinc/45/93/91/347459391.db2.gz PBKZTUBMBNISMV-UHFFFAOYSA-N 1 2 207.233 0.347 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC(=O)C1 ZINC000616926765 347459393 /nfs/dbraw/zinc/45/93/93/347459393.db2.gz PBKZTUBMBNISMV-UHFFFAOYSA-N 1 2 207.233 0.347 20 0 BCADLO CCn1nccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927136 347459764 /nfs/dbraw/zinc/45/97/64/347459764.db2.gz AYPQQHIZLFYTPZ-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1nccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927136 347459767 /nfs/dbraw/zinc/45/97/67/347459767.db2.gz AYPQQHIZLFYTPZ-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000616927450 347460412 /nfs/dbraw/zinc/46/04/12/347460412.db2.gz IWKRBSANVNGYAD-GMTAPVOTSA-N 1 2 235.287 0.793 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000616927450 347460415 /nfs/dbraw/zinc/46/04/15/347460415.db2.gz IWKRBSANVNGYAD-GMTAPVOTSA-N 1 2 235.287 0.793 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927214 347460451 /nfs/dbraw/zinc/46/04/51/347460451.db2.gz DIKYISXMFOITBH-NSHDSACASA-N 1 2 225.292 0.775 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927214 347460454 /nfs/dbraw/zinc/46/04/54/347460454.db2.gz DIKYISXMFOITBH-NSHDSACASA-N 1 2 225.292 0.775 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@H]1COCCO1)C(C)(C)C ZINC000590706159 347498091 /nfs/dbraw/zinc/49/80/91/347498091.db2.gz JIFZQEMCOABAII-VHSXEESVSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cnn(C)c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373718 347471718 /nfs/dbraw/zinc/47/17/18/347471718.db2.gz ZGNARWZMVAXWPQ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cnn(C)c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373718 347471720 /nfs/dbraw/zinc/47/17/20/347471720.db2.gz ZGNARWZMVAXWPQ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1COCCO1)C(C)(C)C ZINC000590706157 347498188 /nfs/dbraw/zinc/49/81/88/347498188.db2.gz JIFZQEMCOABAII-NXEZZACHSA-N 1 2 245.319 0.579 20 0 BCADLO CCOC(=O)CCN1CCn2c[nH+]cc2C1 ZINC000590599732 347480246 /nfs/dbraw/zinc/48/02/46/347480246.db2.gz LSYNRYSNRIDADU-UHFFFAOYSA-N 1 2 223.276 0.652 20 0 BCADLO CC[C@@H]([NH2+][C@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000590752879 347504321 /nfs/dbraw/zinc/50/43/21/347504321.db2.gz AFFGIOAFRQYEQO-BBBLOLIVSA-N 1 2 243.303 0.869 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000380178166 347505054 /nfs/dbraw/zinc/50/50/54/347505054.db2.gz PGYUWFNWMATJNG-MBTKJCJQSA-N 1 2 221.260 0.227 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000571620784 323149570 /nfs/dbraw/zinc/14/95/70/323149570.db2.gz ZTEFCPCTJDREMY-SSDOTTSWSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000571620784 323149571 /nfs/dbraw/zinc/14/95/71/323149571.db2.gz ZTEFCPCTJDREMY-SSDOTTSWSA-N 1 2 238.295 0.259 20 0 BCADLO CC[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577224026 365889484 /nfs/dbraw/zinc/88/94/84/365889484.db2.gz QKRZFLXOTVPVTR-ZJUUUORDSA-N 1 2 237.303 0.333 20 0 BCADLO O=C(NCC1CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636592626 347527994 /nfs/dbraw/zinc/52/79/94/347527994.db2.gz OMHFHRVEBVABJK-JTQLQIEISA-N 1 2 234.303 0.907 20 0 BCADLO CCO[C@@H](CC)C(=O)NCc1[nH+]ccn1C ZINC000590737493 347501603 /nfs/dbraw/zinc/50/16/03/347501603.db2.gz HPCSCFREARHAPX-VIFPVBQESA-N 1 2 225.292 0.851 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000194848873 347585093 /nfs/dbraw/zinc/58/50/93/347585093.db2.gz WPXHLRJPUNBEAS-SNVBAGLBSA-N 1 2 234.303 0.694 20 0 BCADLO C=Cn1cc(C[N@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000194848873 347585096 /nfs/dbraw/zinc/58/50/96/347585096.db2.gz WPXHLRJPUNBEAS-SNVBAGLBSA-N 1 2 234.303 0.694 20 0 BCADLO COC(=O)[C@H]([NH2+]CC[C@H](C)O)C(C)(C)C ZINC000591019320 347605807 /nfs/dbraw/zinc/60/58/07/347605807.db2.gz VNJNLJTUFQSCAJ-IUCAKERBSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591227094 347634894 /nfs/dbraw/zinc/63/48/94/347634894.db2.gz GEJZCHSNJPKXJA-VWYCJHECSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591227094 347634895 /nfs/dbraw/zinc/63/48/95/347634895.db2.gz GEJZCHSNJPKXJA-VWYCJHECSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cocn1 ZINC000591229848 347635010 /nfs/dbraw/zinc/63/50/10/347635010.db2.gz XFPLOCKWWMMYQH-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cocn1 ZINC000591229848 347635014 /nfs/dbraw/zinc/63/50/14/347635014.db2.gz XFPLOCKWWMMYQH-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO COc1cncc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000359559068 187379851 /nfs/dbraw/zinc/37/98/51/187379851.db2.gz OKWNPBNWMWUPRY-UHFFFAOYSA-N 1 2 247.258 0.481 20 0 BCADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000591339877 347646168 /nfs/dbraw/zinc/64/61/68/347646168.db2.gz QHHWONYPMZPZNT-KKOKHZNYSA-N 1 2 240.347 0.868 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC[C@H](C)O ZINC000591019839 347610488 /nfs/dbraw/zinc/61/04/88/347610488.db2.gz HSGMHKQXZTXHSZ-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC[C@H](C)O ZINC000591019839 347610491 /nfs/dbraw/zinc/61/04/91/347610491.db2.gz HSGMHKQXZTXHSZ-UWVGGRQHSA-N 1 2 233.308 0.267 20 0 BCADLO CC(C)N1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC000679541257 488357457 /nfs/dbraw/zinc/35/74/57/488357457.db2.gz WOTJDVDQRPLQCU-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO Cc1ccccc1CNC(=O)C[N@H+](C)CC(N)=O ZINC000049237252 179278210 /nfs/dbraw/zinc/27/82/10/179278210.db2.gz MQMOWIDRCPYIFO-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO Cc1ccccc1CNC(=O)C[N@@H+](C)CC(N)=O ZINC000049237252 179278212 /nfs/dbraw/zinc/27/82/12/179278212.db2.gz MQMOWIDRCPYIFO-UHFFFAOYSA-N 1 2 249.314 0.028 20 0 BCADLO CCNC(=O)CN(CC)Cc1[nH+]ccn1C ZINC000198733546 347666410 /nfs/dbraw/zinc/66/64/10/347666410.db2.gz JKDHASUWADVTQG-UHFFFAOYSA-N 1 2 224.308 0.378 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCOC1 ZINC000591996493 347721738 /nfs/dbraw/zinc/72/17/38/347721738.db2.gz WKBRPDJORKAQRM-NSHDSACASA-N 1 2 237.303 0.959 20 0 BCADLO O=S1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000592070530 347727182 /nfs/dbraw/zinc/72/71/82/347727182.db2.gz LMSAITWNMVZDLR-NSHDSACASA-N 1 2 231.361 0.867 20 0 BCADLO C[N@H+]1CCOC[C@@H]1C(=O)N1CC=CCC1 ZINC000679644166 488362154 /nfs/dbraw/zinc/36/21/54/488362154.db2.gz NVQCPYYSEJXBOA-SNVBAGLBSA-N 1 2 210.277 0.106 20 0 BCADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@H](O)C2)[nH]n1 ZINC000592497823 347788429 /nfs/dbraw/zinc/78/84/29/347788429.db2.gz JLCCCOQLJFXYRH-VIFPVBQESA-N 1 2 239.275 0.153 20 0 BCADLO CCOC(=O)c1cc(C[N@H+]2CC[C@H](O)C2)[nH]n1 ZINC000592497823 347788430 /nfs/dbraw/zinc/78/84/30/347788430.db2.gz JLCCCOQLJFXYRH-VIFPVBQESA-N 1 2 239.275 0.153 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)on1 ZINC000593102269 347858988 /nfs/dbraw/zinc/85/89/88/347858988.db2.gz RNIBJEQFTLPZRQ-KPWYMIHSSA-N 1 2 226.301 0.688 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)on1 ZINC000593102269 347858990 /nfs/dbraw/zinc/85/89/90/347858990.db2.gz RNIBJEQFTLPZRQ-KPWYMIHSSA-N 1 2 226.301 0.688 20 0 BCADLO CCC[C@](C)([NH2+]C[C@@H]1CCC(=O)N1)C(=O)OC ZINC000593014117 347844318 /nfs/dbraw/zinc/84/43/18/347844318.db2.gz SSHSJOPKVHBGPC-CABZTGNLSA-N 1 2 242.319 0.586 20 0 BCADLO COC(=O)C1([NH2+]C[C@@H]2CCC(=O)N2)CCCC1 ZINC000593020338 347846170 /nfs/dbraw/zinc/84/61/70/347846170.db2.gz XHTIRGVQAUKKST-VIFPVBQESA-N 1 2 240.303 0.340 20 0 BCADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NC(N)=O ZINC000593057312 347848325 /nfs/dbraw/zinc/84/83/25/347848325.db2.gz FMPWKJFCCZQPGA-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NC(N)=O ZINC000593057312 347848328 /nfs/dbraw/zinc/84/83/28/347848328.db2.gz FMPWKJFCCZQPGA-BDAKNGLRSA-N 1 2 243.307 0.071 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc[nH]n1 ZINC000593099222 347855693 /nfs/dbraw/zinc/85/56/93/347855693.db2.gz IWVZWBDZSGNKMQ-UINNMSKDSA-N 1 2 211.290 0.115 20 0 BCADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc[nH]n1 ZINC000593099222 347855697 /nfs/dbraw/zinc/85/56/97/347855697.db2.gz IWVZWBDZSGNKMQ-UINNMSKDSA-N 1 2 211.290 0.115 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101122 347857603 /nfs/dbraw/zinc/85/76/03/347857603.db2.gz SYXLMWZMWOZIOP-ACZUWMGVSA-N 1 2 240.332 0.003 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101122 347857607 /nfs/dbraw/zinc/85/76/07/347857607.db2.gz SYXLMWZMWOZIOP-ACZUWMGVSA-N 1 2 240.332 0.003 20 0 BCADLO CCn1nncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101113 347857926 /nfs/dbraw/zinc/85/79/26/347857926.db2.gz SYXLMWZMWOZIOP-HEFKBWKQSA-N 1 2 240.332 0.003 20 0 BCADLO CCn1nncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101113 347857927 /nfs/dbraw/zinc/85/79/27/347857927.db2.gz SYXLMWZMWOZIOP-HEFKBWKQSA-N 1 2 240.332 0.003 20 0 BCADLO C[C@@]1(C(N)=O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493531556 347870394 /nfs/dbraw/zinc/87/03/94/347870394.db2.gz VJUPMHKVOZOYJE-ZZKXABKFSA-N 1 2 248.286 0.147 20 0 BCADLO CCc1cc(N2C[C@@H]3C[C@H]2C[S@]3=O)nc[nH+]1 ZINC000593510017 347901778 /nfs/dbraw/zinc/90/17/78/347901778.db2.gz JNEOBDXVQUIIGR-XQJJYNOISA-N 1 2 237.328 0.749 20 0 BCADLO Cc1nc(N2C[C@@H]3C[C@H]2C[S@]3=O)cc[nH+]1 ZINC000593511193 347902164 /nfs/dbraw/zinc/90/21/64/347902164.db2.gz VKCTZOUMUYPMCK-KOSWAMCASA-N 1 2 223.301 0.495 20 0 BCADLO CCn1c[nH+]cc1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593694278 347928959 /nfs/dbraw/zinc/92/89/59/347928959.db2.gz XMWCLFVSBJBEDC-KJRLAJNESA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cncc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593694278 347928961 /nfs/dbraw/zinc/92/89/61/347928961.db2.gz XMWCLFVSBJBEDC-KJRLAJNESA-N 1 2 239.344 0.608 20 0 BCADLO CCn1cncc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593694278 347928964 /nfs/dbraw/zinc/92/89/64/347928964.db2.gz XMWCLFVSBJBEDC-KJRLAJNESA-N 1 2 239.344 0.608 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593692969 347929023 /nfs/dbraw/zinc/92/90/23/347929023.db2.gz IAMQVGPEIOPTOT-UTEYVOQOSA-N 1 2 225.317 0.423 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593692969 347929025 /nfs/dbraw/zinc/92/90/25/347929025.db2.gz IAMQVGPEIOPTOT-UTEYVOQOSA-N 1 2 225.317 0.423 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593693641 347929050 /nfs/dbraw/zinc/92/90/50/347929050.db2.gz PXKIFLLZUGPSLB-PUTJDCORSA-N 1 2 239.344 0.434 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593693641 347929052 /nfs/dbraw/zinc/92/90/52/347929052.db2.gz PXKIFLLZUGPSLB-PUTJDCORSA-N 1 2 239.344 0.434 20 0 BCADLO CC1(C)C[C@H]([NH2+][C@@H](C(N)=O)c2ccccn2)CO1 ZINC000577388843 365942868 /nfs/dbraw/zinc/94/28/68/365942868.db2.gz OHKMJRCRTKKGHX-GXSJLCMTSA-N 1 2 249.314 0.765 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)[nH]n1 ZINC000603486693 349979092 /nfs/dbraw/zinc/97/90/92/349979092.db2.gz TYMYWCWPUPWFSS-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000603486693 349979095 /nfs/dbraw/zinc/97/90/95/349979095.db2.gz TYMYWCWPUPWFSS-UHFFFAOYSA-N 1 2 233.275 0.621 20 0 BCADLO O=C(c1c[nH]cn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594177335 348020945 /nfs/dbraw/zinc/02/09/45/348020945.db2.gz NXAONILQOIASNN-UHFFFAOYSA-N 1 2 244.254 0.708 20 0 BCADLO CSCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000594211787 348022306 /nfs/dbraw/zinc/02/23/06/348022306.db2.gz PSAANJOPBRMMQC-UHFFFAOYSA-N 1 2 216.350 0.807 20 0 BCADLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@H]3C[C@H]32)C1=O ZINC000368633493 187383976 /nfs/dbraw/zinc/38/39/76/187383976.db2.gz NOAMKYNPGQFKEZ-TUAOUCFPSA-N 1 2 238.331 0.859 20 0 BCADLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@H]3C[C@H]32)C1=O ZINC000368633493 187383978 /nfs/dbraw/zinc/38/39/78/187383978.db2.gz NOAMKYNPGQFKEZ-TUAOUCFPSA-N 1 2 238.331 0.859 20 0 BCADLO Cc1c(C[N@@H+]2CCO[C@H]3C[C@H]32)cnn1C ZINC000367838375 187384004 /nfs/dbraw/zinc/38/40/04/187384004.db2.gz DAYBEPFEYLTPBO-MNOVXSKESA-N 1 2 207.277 0.702 20 0 BCADLO Cc1c(C[N@H+]2CCO[C@H]3C[C@H]32)cnn1C ZINC000367838375 187384005 /nfs/dbraw/zinc/38/40/05/187384005.db2.gz DAYBEPFEYLTPBO-MNOVXSKESA-N 1 2 207.277 0.702 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000594720789 348107664 /nfs/dbraw/zinc/10/76/64/348107664.db2.gz KRIAWAUYJDEDRF-DTWKUNHWSA-N 1 2 249.257 0.952 20 0 BCADLO CC(=O)CC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000369359073 187386216 /nfs/dbraw/zinc/38/62/16/187386216.db2.gz PVUNFKAOVAPQIC-XPTSAGLGSA-N 1 2 217.334 0.808 20 0 BCADLO CC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000369359073 187386218 /nfs/dbraw/zinc/38/62/18/187386218.db2.gz PVUNFKAOVAPQIC-XPTSAGLGSA-N 1 2 217.334 0.808 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cn(CC(C)(C)C)nn1 ZINC000594649144 348088258 /nfs/dbraw/zinc/08/82/58/348088258.db2.gz IGEWHECBJKHPFQ-SECBINFHSA-N 1 2 240.307 0.367 20 0 BCADLO Cc1cc(C)c(NC(=O)Cn2cnnn2)c(C)[nH+]1 ZINC000121112089 187386734 /nfs/dbraw/zinc/38/67/34/187386734.db2.gz PDBUFPNCJLHWPC-UHFFFAOYSA-N 1 2 246.274 0.632 20 0 BCADLO COC(=O)CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000594653730 348092060 /nfs/dbraw/zinc/09/20/60/348092060.db2.gz IUYTTZLHCVJBNX-UHFFFAOYSA-N 1 2 249.274 0.476 20 0 BCADLO Cc1cccn2c(CN3CC(=O)N(C)C3)c[nH+]c12 ZINC000334139581 179355186 /nfs/dbraw/zinc/35/51/86/179355186.db2.gz ASZFSHLLTLGVAO-UHFFFAOYSA-N 1 2 244.298 0.874 20 0 BCADLO OC[C@H]1C[C@@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000374942299 187387604 /nfs/dbraw/zinc/38/76/04/187387604.db2.gz DHCTUSXSGMYSBV-NXEZZACHSA-N 1 2 245.282 0.562 20 0 BCADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000594933666 348140917 /nfs/dbraw/zinc/14/09/17/348140917.db2.gz AKZDQALZAXNQHP-IWSPIJDZSA-N 1 2 238.291 0.102 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000595299437 348218078 /nfs/dbraw/zinc/21/80/78/348218078.db2.gz ZJEXSSFWBBMJDE-MNOVXSKESA-N 1 2 245.319 0.533 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000595299437 348218080 /nfs/dbraw/zinc/21/80/80/348218080.db2.gz ZJEXSSFWBBMJDE-MNOVXSKESA-N 1 2 245.319 0.533 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1cn(C)c[nH+]1 ZINC000595322334 348226475 /nfs/dbraw/zinc/22/64/75/348226475.db2.gz VPBNODVBBFQHPI-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2C(=O)NC)o1 ZINC000075646596 348202565 /nfs/dbraw/zinc/20/25/65/348202565.db2.gz JEWMZJOJNHLIQY-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO CCc1cnc(C[N@H+]2CCC[C@@H]2C(=O)NC)o1 ZINC000075646596 348202568 /nfs/dbraw/zinc/20/25/68/348202568.db2.gz JEWMZJOJNHLIQY-SNVBAGLBSA-N 1 2 237.303 0.947 20 0 BCADLO CCCC[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000306016079 187389504 /nfs/dbraw/zinc/38/95/04/187389504.db2.gz NDPSAFSJXTXXIC-LBPRGKRZSA-N 1 2 242.363 0.949 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000595290789 348213080 /nfs/dbraw/zinc/21/30/80/348213080.db2.gz ZDZGHZZNBDCHGR-ZJUUUORDSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)C[N@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000595290789 348213081 /nfs/dbraw/zinc/21/30/81/348213081.db2.gz ZDZGHZZNBDCHGR-ZJUUUORDSA-N 1 2 231.292 0.143 20 0 BCADLO COC(=O)[C@]1(C)CCCN1Cc1cn(C)c[nH+]1 ZINC000595450172 348244528 /nfs/dbraw/zinc/24/45/28/348244528.db2.gz SBLBXIDZODNUQR-LBPRGKRZSA-N 1 2 237.303 0.948 20 0 BCADLO COC(=O)[C@@]1(C)CCCN1Cc1cn(C)c[nH+]1 ZINC000595450170 348244874 /nfs/dbraw/zinc/24/48/74/348244874.db2.gz SBLBXIDZODNUQR-GFCCVEGCSA-N 1 2 237.303 0.948 20 0 BCADLO COC[C@@H](C[NH2+][C@H](C(=O)OC)C(C)C)OC ZINC000595429089 348248361 /nfs/dbraw/zinc/24/83/61/348248361.db2.gz BOFHQPXSBIRBLA-ZJUUUORDSA-N 1 2 233.308 0.435 20 0 BCADLO COC[C@@H](C[N@H+](C)[C@@H](C)C(=O)OC)OC ZINC000595475237 348250936 /nfs/dbraw/zinc/25/09/36/348250936.db2.gz NNYGICXZYFPLDC-DTWKUNHWSA-N 1 2 219.281 0.141 20 0 BCADLO COC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)OC)OC ZINC000595475237 348250940 /nfs/dbraw/zinc/25/09/40/348250940.db2.gz NNYGICXZYFPLDC-DTWKUNHWSA-N 1 2 219.281 0.141 20 0 BCADLO CCOC(=O)[C@H]1CCCN1Cc1cn(C)c[nH+]1 ZINC000595442047 348251604 /nfs/dbraw/zinc/25/16/04/348251604.db2.gz OSVASWNQTHVTPT-LLVKDONJSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)S1=O ZINC000595455838 348254708 /nfs/dbraw/zinc/25/47/08/348254708.db2.gz RZUGYHBZWPFCDW-NXEZZACHSA-N 1 2 241.360 0.761 20 0 BCADLO Cc1cccnc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191775986 179376599 /nfs/dbraw/zinc/37/65/99/179376599.db2.gz SQFSMWINYMCWBI-NEPJUHHUSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cccnc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191775986 179376603 /nfs/dbraw/zinc/37/66/03/179376603.db2.gz SQFSMWINYMCWBI-NEPJUHHUSA-N 1 2 236.315 0.972 20 0 BCADLO COC(=O)[C@H](C1CC1)N1CCn2c[nH+]cc2C1 ZINC000595490526 348261922 /nfs/dbraw/zinc/26/19/22/348261922.db2.gz NVVIIYVQBIKGHV-NSHDSACASA-N 1 2 235.287 0.650 20 0 BCADLO COC[C@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000595392766 348237762 /nfs/dbraw/zinc/23/77/62/348237762.db2.gz PECVEEBFVNXDLE-UWVGGRQHSA-N 1 2 247.335 0.825 20 0 BCADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC(C)C ZINC000595530929 348273225 /nfs/dbraw/zinc/27/32/25/348273225.db2.gz BJGUTVOISBADIG-LLVKDONJSA-N 1 2 217.309 0.936 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000595562962 348281749 /nfs/dbraw/zinc/28/17/49/348281749.db2.gz KMIKIYCDZDALKM-PUTJDCORSA-N 1 2 240.328 0.942 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000595562962 348281750 /nfs/dbraw/zinc/28/17/50/348281750.db2.gz KMIKIYCDZDALKM-PUTJDCORSA-N 1 2 240.328 0.942 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(C)o1 ZINC000595565036 348283009 /nfs/dbraw/zinc/28/30/09/348283009.db2.gz YKATZFCGRFKXOY-XQJJYNOISA-N 1 2 240.328 0.997 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(C)o1 ZINC000595565036 348283012 /nfs/dbraw/zinc/28/30/12/348283012.db2.gz YKATZFCGRFKXOY-XQJJYNOISA-N 1 2 240.328 0.997 20 0 BCADLO C[C@H]1C[N@H+](CCOCC2CCC2)CC(=O)N1 ZINC000419288459 192117814 /nfs/dbraw/zinc/11/78/14/192117814.db2.gz PSPZPNZHOJXRAG-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC2CCC2)CC(=O)N1 ZINC000419288459 192117816 /nfs/dbraw/zinc/11/78/16/192117816.db2.gz PSPZPNZHOJXRAG-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000595667694 348302028 /nfs/dbraw/zinc/30/20/28/348302028.db2.gz IBSZQGUEGVFORA-LURJTMIESA-N 1 2 242.304 0.249 20 0 BCADLO COC(=O)C12CC(C1)C[N@@H+]2CCn1cccn1 ZINC000595677732 348310534 /nfs/dbraw/zinc/31/05/34/348310534.db2.gz KTLCEIKWRDXSFV-UHFFFAOYSA-N 1 2 235.287 0.521 20 0 BCADLO COC(=O)C12CC(C1)C[N@H+]2CCn1cccn1 ZINC000595677732 348310537 /nfs/dbraw/zinc/31/05/37/348310537.db2.gz KTLCEIKWRDXSFV-UHFFFAOYSA-N 1 2 235.287 0.521 20 0 BCADLO COC(=O)CC1(C[N@@H+]2CCOC[C@H]2CO)CC1 ZINC000595715817 348326273 /nfs/dbraw/zinc/32/62/73/348326273.db2.gz FAEKVMKRVZUVFB-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO COC(=O)CC1(C[N@H+]2CCOC[C@H]2CO)CC1 ZINC000595715817 348326274 /nfs/dbraw/zinc/32/62/74/348326274.db2.gz FAEKVMKRVZUVFB-SNVBAGLBSA-N 1 2 243.303 0.023 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595769211 348335845 /nfs/dbraw/zinc/33/58/45/348335845.db2.gz SXALANMSCXMVHU-JOYOIKCWSA-N 1 2 227.304 0.785 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595769211 348335848 /nfs/dbraw/zinc/33/58/48/348335848.db2.gz SXALANMSCXMVHU-JOYOIKCWSA-N 1 2 227.304 0.785 20 0 BCADLO COC(=O)CCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595771174 348336442 /nfs/dbraw/zinc/33/64/42/348336442.db2.gz XHEYMMAEWZXGOU-NSHDSACASA-N 1 2 249.282 0.821 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1COCCO1 ZINC000595771374 348336678 /nfs/dbraw/zinc/33/66/78/348336678.db2.gz AXFQQBIPLGTWQW-GXSJLCMTSA-N 1 2 249.282 0.283 20 0 BCADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](C)O ZINC000595773649 348337410 /nfs/dbraw/zinc/33/74/10/348337410.db2.gz ROKOFOBZGBGSBF-CBAPKCEASA-N 1 2 207.245 0.248 20 0 BCADLO COC(=O)[C@](C)(CCF)NCCn1cc[nH+]c1 ZINC000595774315 348338098 /nfs/dbraw/zinc/33/80/98/348338098.db2.gz HLARXJXOWCUUEM-NSHDSACASA-N 1 2 243.282 0.764 20 0 BCADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)C(C)C ZINC000595775083 348338189 /nfs/dbraw/zinc/33/81/89/348338189.db2.gz LWEBKFLZUPIQCV-GXSJLCMTSA-N 1 2 235.299 0.884 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595782613 348344882 /nfs/dbraw/zinc/34/48/82/348344882.db2.gz PJCMQSXPTCCVBB-DJLDLDEBSA-N 1 2 213.277 0.441 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCn2ccccc2=O)n1 ZINC000603509315 349985019 /nfs/dbraw/zinc/98/50/19/349985019.db2.gz ZFVHVDAPXRJFTK-SECBINFHSA-N 1 2 248.286 0.891 20 0 BCADLO CCOC[C@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000309095876 349985127 /nfs/dbraw/zinc/98/51/27/349985127.db2.gz GRJBLWWTXMVGIR-SNVBAGLBSA-N 1 2 213.281 0.205 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000595857412 348358462 /nfs/dbraw/zinc/35/84/62/348358462.db2.gz WYQVRBGLONJTPF-AOOOYVTPSA-N 1 2 235.287 0.860 20 0 BCADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000595857412 348358463 /nfs/dbraw/zinc/35/84/63/348358463.db2.gz WYQVRBGLONJTPF-AOOOYVTPSA-N 1 2 235.287 0.860 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830060 348364971 /nfs/dbraw/zinc/36/49/71/348364971.db2.gz SZZUGDXMDVMSIT-SNVBAGLBSA-N 1 2 240.303 0.104 20 0 BCADLO COC(=O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830060 348364972 /nfs/dbraw/zinc/36/49/72/348364972.db2.gz SZZUGDXMDVMSIT-SNVBAGLBSA-N 1 2 240.303 0.104 20 0 BCADLO CC[C@H](O)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596240428 348483859 /nfs/dbraw/zinc/48/38/59/348483859.db2.gz APUULNINSWFQTP-JTQLQIEISA-N 1 2 238.287 0.980 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cs1 ZINC000535728365 323189369 /nfs/dbraw/zinc/18/93/69/323189369.db2.gz APQFKEFXCDFIMB-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC000535728365 323189370 /nfs/dbraw/zinc/18/93/70/323189370.db2.gz APQFKEFXCDFIMB-QMMMGPOBSA-N 1 2 241.316 0.721 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H]2CC[C@H]2SC)n1 ZINC000597190743 348670540 /nfs/dbraw/zinc/67/05/40/348670540.db2.gz GOWRDCPXPVJZTO-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO COCc1nnc(C[NH2+][C@@H]2CC[C@H]2SC)[nH]1 ZINC000597190743 348670545 /nfs/dbraw/zinc/67/05/45/348670545.db2.gz GOWRDCPXPVJZTO-HTQZYQBOSA-N 1 2 242.348 0.935 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000597115992 348663243 /nfs/dbraw/zinc/66/32/43/348663243.db2.gz BJFWPAPCYCLFJN-JQCXWYLXSA-N 1 2 229.276 0.335 20 0 BCADLO COCC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000535888931 323193692 /nfs/dbraw/zinc/19/36/92/323193692.db2.gz PAFKPXFNKQELDN-UHFFFAOYSA-N 1 2 237.303 0.939 20 0 BCADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cocn1 ZINC000597185890 348683932 /nfs/dbraw/zinc/68/39/32/348683932.db2.gz FAQOEOWUZVXQEA-DTWKUNHWSA-N 1 2 226.232 0.095 20 0 BCADLO CC[C@H](C(=O)OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856162 348827649 /nfs/dbraw/zinc/82/76/49/348827649.db2.gz DWKPSVKPHNDHBQ-VIFPVBQESA-N 1 2 239.275 0.567 20 0 BCADLO CC[C@H](C(=O)OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856162 348827653 /nfs/dbraw/zinc/82/76/53/348827653.db2.gz DWKPSVKPHNDHBQ-VIFPVBQESA-N 1 2 239.275 0.567 20 0 BCADLO C[C@@]1(F)CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000563895697 323201389 /nfs/dbraw/zinc/20/13/89/323201389.db2.gz XOWSTPAPBXVKOE-OIBJUYFYSA-N 1 2 214.240 0.226 20 0 BCADLO C[C@@]1(F)CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000563895697 323201390 /nfs/dbraw/zinc/20/13/90/323201390.db2.gz XOWSTPAPBXVKOE-OIBJUYFYSA-N 1 2 214.240 0.226 20 0 BCADLO CSCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598458962 348976541 /nfs/dbraw/zinc/97/65/41/348976541.db2.gz APWXHNJFQOHYLI-SSDOTTSWSA-N 1 2 213.306 0.960 20 0 BCADLO COC(=O)c1ncn(Cc2cc[nH+]c(C)c2)n1 ZINC000598711417 349024585 /nfs/dbraw/zinc/02/45/85/349024585.db2.gz SWZSWLJXWWUSQE-UHFFFAOYSA-N 1 2 232.243 0.816 20 0 BCADLO CSCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598951167 349071588 /nfs/dbraw/zinc/07/15/88/349071588.db2.gz XWDGCPWJOZLCBC-MRVPVSSYSA-N 1 2 225.317 0.677 20 0 BCADLO CSCC[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000599135670 349097131 /nfs/dbraw/zinc/09/71/31/349097131.db2.gz RZNIGFOZMZMEBJ-QMMMGPOBSA-N 1 2 240.332 0.804 20 0 BCADLO CS[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944774 349062991 /nfs/dbraw/zinc/06/29/91/349062991.db2.gz VIDNRHBTPARSBK-SFYZADRCSA-N 1 2 225.317 0.676 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1cc[nH]n1 ZINC000599293555 349149011 /nfs/dbraw/zinc/14/90/11/349149011.db2.gz ZHOOTZFCSWJQTD-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000599293555 349149015 /nfs/dbraw/zinc/14/90/15/349149015.db2.gz ZHOOTZFCSWJQTD-JTQLQIEISA-N 1 2 241.291 0.156 20 0 BCADLO CCO[C@@H](C[NH+]1CCS(=O)CC1)C1CC1 ZINC000599292080 349149374 /nfs/dbraw/zinc/14/93/74/349149374.db2.gz XJXSRAKDBSROIJ-NSHDSACASA-N 1 2 231.361 0.866 20 0 BCADLO COC(=O)CCCC[N@@H+]1CCN(C)C(=O)C1 ZINC000599296563 349150580 /nfs/dbraw/zinc/15/05/80/349150580.db2.gz BLUMTMHMOYOFOH-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO COC(=O)CCCC[N@H+]1CCN(C)C(=O)C1 ZINC000599296563 349150585 /nfs/dbraw/zinc/15/05/85/349150585.db2.gz BLUMTMHMOYOFOH-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000599338444 349150886 /nfs/dbraw/zinc/15/08/86/349150886.db2.gz RSCKVMWPSRVLGO-SECBINFHSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000599338444 349150890 /nfs/dbraw/zinc/15/08/90/349150890.db2.gz RSCKVMWPSRVLGO-SECBINFHSA-N 1 2 241.291 0.156 20 0 BCADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000599338444 349150894 /nfs/dbraw/zinc/15/08/94/349150894.db2.gz RSCKVMWPSRVLGO-SECBINFHSA-N 1 2 241.291 0.156 20 0 BCADLO COC[C@](C)(CC(=O)OC)[NH2+]CC(F)F ZINC000308926348 349130719 /nfs/dbraw/zinc/13/07/19/349130719.db2.gz IJAMVDQRWVAPRF-VIFPVBQESA-N 1 2 225.235 0.809 20 0 BCADLO CCC[N@H+](CCc1cn(C)nn1)CC(=O)OC ZINC000599263061 349134286 /nfs/dbraw/zinc/13/42/86/349134286.db2.gz ASZFPTBBKLGVLE-UHFFFAOYSA-N 1 2 240.307 0.243 20 0 BCADLO CCC[N@@H+](CCc1cn(C)nn1)CC(=O)OC ZINC000599263061 349134287 /nfs/dbraw/zinc/13/42/87/349134287.db2.gz ASZFPTBBKLGVLE-UHFFFAOYSA-N 1 2 240.307 0.243 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCOC1CCOCC1 ZINC000599280299 349139692 /nfs/dbraw/zinc/13/96/92/349139692.db2.gz FFMRPNWJHUETKG-UHFFFAOYSA-N 1 2 245.319 0.723 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc[nH]n1 ZINC000599304439 349142128 /nfs/dbraw/zinc/14/21/28/349142128.db2.gz MPIYSMKKXUGJCR-ZETCQYMHSA-N 1 2 209.253 0.228 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc[nH]n1 ZINC000599304439 349142131 /nfs/dbraw/zinc/14/21/31/349142131.db2.gz MPIYSMKKXUGJCR-ZETCQYMHSA-N 1 2 209.253 0.228 20 0 BCADLO COCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000349798023 538026097 /nfs/dbraw/zinc/02/60/97/538026097.db2.gz HOFYSVAHMDCYED-UHFFFAOYSA-N 1 2 226.280 0.208 20 0 BCADLO COC(=O)[C@](C)(CO)[NH2+]CC1CC(C)(C)C1 ZINC000599437342 349177031 /nfs/dbraw/zinc/17/70/31/349177031.db2.gz OKMHHZOAMODKDX-LBPRGKRZSA-N 1 2 229.320 0.936 20 0 BCADLO COC[C@](C)([NH2+]C[C@H]1C[C@@H]1C)C(=O)OC ZINC000599342730 349153046 /nfs/dbraw/zinc/15/30/46/349153046.db2.gz UEPXQYHNRZPOBR-NGZCFLSTSA-N 1 2 215.293 0.810 20 0 BCADLO Cc1[nH]c(C(=O)NCCNc2ncccn2)c[nH+]1 ZINC000599324680 349155690 /nfs/dbraw/zinc/15/56/90/349155690.db2.gz WGZJDOXMSIBURO-UHFFFAOYSA-N 1 2 246.274 0.350 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000599562968 349218929 /nfs/dbraw/zinc/21/89/29/349218929.db2.gz LHYLMXVMEXKGOP-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000599562968 349218931 /nfs/dbraw/zinc/21/89/31/349218931.db2.gz LHYLMXVMEXKGOP-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO COC(=O)[C@]1(OC)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000599562968 349218932 /nfs/dbraw/zinc/21/89/32/349218932.db2.gz LHYLMXVMEXKGOP-NSHDSACASA-N 1 2 239.275 0.174 20 0 BCADLO CC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599578008 349225084 /nfs/dbraw/zinc/22/50/84/349225084.db2.gz CROAJCCYVWBONW-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599578008 349225085 /nfs/dbraw/zinc/22/50/85/349225085.db2.gz CROAJCCYVWBONW-BDAKNGLRSA-N 1 2 229.276 0.433 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599625083 349230261 /nfs/dbraw/zinc/23/02/61/349230261.db2.gz LIWWOUKHLIJNHD-CIQUZCHMSA-N 1 2 215.293 0.949 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599693949 349246505 /nfs/dbraw/zinc/24/65/05/349246505.db2.gz PYYPPGDXWYIDKL-CMPLNLGQSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599693949 349246509 /nfs/dbraw/zinc/24/65/09/349246509.db2.gz PYYPPGDXWYIDKL-CMPLNLGQSA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599703466 349249558 /nfs/dbraw/zinc/24/95/58/349249558.db2.gz BICZZNRKBLLVOH-RKDXNWHRSA-N 1 2 243.303 0.821 20 0 BCADLO CC[C@@H]([NH2+][C@H](COC)c1ccco1)C(N)=O ZINC000184530049 349259006 /nfs/dbraw/zinc/25/90/06/349259006.db2.gz KYWCGYHSWWXDGZ-RKDXNWHRSA-N 1 2 226.276 0.821 20 0 BCADLO OCCCc1cn(-c2ncnc3n[nH]cc32)c[nH+]1 ZINC000599914020 349269957 /nfs/dbraw/zinc/26/99/57/349269957.db2.gz HFRMPAONPGRTDK-UHFFFAOYSA-N 1 2 244.258 0.464 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396648869 349379226 /nfs/dbraw/zinc/37/92/26/349379226.db2.gz KIPGFIANMMTFCS-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396648869 349379228 /nfs/dbraw/zinc/37/92/28/349379228.db2.gz KIPGFIANMMTFCS-QMMMGPOBSA-N 1 2 201.266 0.659 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCC(=O)OC)[nH+]1 ZINC000602048170 349425216 /nfs/dbraw/zinc/42/52/16/349425216.db2.gz ALUVUICHPRNETF-UHFFFAOYSA-N 1 2 239.275 0.194 20 0 BCADLO CCc1c[nH]c(CC(=O)N(C)CC(=O)OC)[nH+]1 ZINC000602052826 349426333 /nfs/dbraw/zinc/42/63/33/349426333.db2.gz QOUMXEXFHWVDRS-UHFFFAOYSA-N 1 2 239.275 0.146 20 0 BCADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC000603782487 350032017 /nfs/dbraw/zinc/03/20/17/350032017.db2.gz JJOQLDHWKQYCAE-VIFPVBQESA-N 1 2 221.260 0.408 20 0 BCADLO C[N@H+]1CCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC000603782487 350032019 /nfs/dbraw/zinc/03/20/19/350032019.db2.gz JJOQLDHWKQYCAE-VIFPVBQESA-N 1 2 221.260 0.408 20 0 BCADLO CCc1c[nH]c(CC(=O)NCCSC)[nH+]1 ZINC000602032700 349421427 /nfs/dbraw/zinc/42/14/27/349421427.db2.gz IYMNKKWGQZNUGH-UHFFFAOYSA-N 1 2 227.333 0.994 20 0 BCADLO NC(=O)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000603868931 350046681 /nfs/dbraw/zinc/04/66/81/350046681.db2.gz XZRZIPCBOLDBAY-UHFFFAOYSA-N 1 2 249.270 0.076 20 0 BCADLO NC(=O)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000603868931 350046686 /nfs/dbraw/zinc/04/66/86/350046686.db2.gz XZRZIPCBOLDBAY-UHFFFAOYSA-N 1 2 249.270 0.076 20 0 BCADLO COC(=O)C[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291544799 350066912 /nfs/dbraw/zinc/06/69/12/350066912.db2.gz YCKFZGIFNHRATI-QMMMGPOBSA-N 1 2 239.275 0.236 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)[C@H]1C ZINC000342587702 538050032 /nfs/dbraw/zinc/05/00/32/538050032.db2.gz JWESQGGUOBPBEU-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C)[C@H]1C ZINC000342587702 538050038 /nfs/dbraw/zinc/05/00/38/538050038.db2.gz JWESQGGUOBPBEU-QJPTWQEYSA-N 1 2 240.347 0.964 20 0 BCADLO CNS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccco1 ZINC000621251465 350108289 /nfs/dbraw/zinc/10/82/89/350108289.db2.gz WEGHDVKUZZAGIP-SECBINFHSA-N 1 2 246.332 0.822 20 0 BCADLO CNS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000621251465 350108290 /nfs/dbraw/zinc/10/82/90/350108290.db2.gz WEGHDVKUZZAGIP-SECBINFHSA-N 1 2 246.332 0.822 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000074673812 490307067 /nfs/dbraw/zinc/30/70/67/490307067.db2.gz UPYJMKREUSPPQU-UHFFFAOYSA-N 1 2 208.265 0.187 20 0 BCADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C[C@H]2CO)[nH+]1 ZINC000354883935 180005364 /nfs/dbraw/zinc/00/53/64/180005364.db2.gz KOSFOUBSIISUEZ-DTWKUNHWSA-N 1 2 248.286 0.198 20 0 BCADLO Cc1nc(NC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC000110711074 180009867 /nfs/dbraw/zinc/00/98/67/180009867.db2.gz AXOXUCFTDFDRQM-MRVPVSSYSA-N 1 2 225.296 0.638 20 0 BCADLO Cc1n[nH]c(NC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC000110711074 180009868 /nfs/dbraw/zinc/00/98/68/180009868.db2.gz AXOXUCFTDFDRQM-MRVPVSSYSA-N 1 2 225.296 0.638 20 0 BCADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434547 180034380 /nfs/dbraw/zinc/03/43/80/180034380.db2.gz VCXWGNRKMUHSKD-APPZFPTMSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](c3nnc[nH]3)C2)[nH]1 ZINC000333434547 180034385 /nfs/dbraw/zinc/03/43/85/180034385.db2.gz VCXWGNRKMUHSKD-APPZFPTMSA-N 1 2 247.306 0.782 20 0 BCADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCO)no1 ZINC000378012233 180040941 /nfs/dbraw/zinc/04/09/41/180040941.db2.gz ZBIHBIKKTDKEJX-VIFPVBQESA-N 1 2 211.265 0.897 20 0 BCADLO Cc1nc([C@@H]2CCCC[N@H+]2CCO)no1 ZINC000378012233 180040943 /nfs/dbraw/zinc/04/09/43/180040943.db2.gz ZBIHBIKKTDKEJX-VIFPVBQESA-N 1 2 211.265 0.897 20 0 BCADLO Cc1nc(N2CC(=O)N(C)C2)c2c([nH+]1)CCCC2 ZINC000359734381 180067071 /nfs/dbraw/zinc/06/70/71/180067071.db2.gz WTDZOWBJLQDAMW-UHFFFAOYSA-N 1 2 246.314 0.900 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC(O)(C(F)F)C1 ZINC000425014219 191020358 /nfs/dbraw/zinc/02/03/58/191020358.db2.gz CLAGBGWGEKYOHE-UHFFFAOYSA-N 1 2 245.229 0.112 20 0 BCADLO Cc1nc([C@H](C)[NH2+][C@H]2CCNC2=O)cs1 ZINC000336475194 180051608 /nfs/dbraw/zinc/05/16/08/180051608.db2.gz PAGSZZVGYQXSSY-XPUUQOCRSA-N 1 2 225.317 0.991 20 0 BCADLO CCN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000058082993 350141538 /nfs/dbraw/zinc/14/15/38/350141538.db2.gz HRSPKXHOGMFHET-UHFFFAOYSA-N 1 2 226.349 0.863 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](C[C@@](C)(O)C(C)C)C2 ZINC000364344738 180113182 /nfs/dbraw/zinc/11/31/82/180113182.db2.gz AWBVRHOLPSKYKX-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](C[C@@](C)(O)C(C)C)C2 ZINC000364344738 180113184 /nfs/dbraw/zinc/11/31/84/180113184.db2.gz AWBVRHOLPSKYKX-GFCCVEGCSA-N 1 2 238.335 0.809 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000371195843 180113309 /nfs/dbraw/zinc/11/33/09/180113309.db2.gz ANJDAWUAJWDMDN-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO Cc1nc2n(n1)CC[N@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000371195843 180113310 /nfs/dbraw/zinc/11/33/10/180113310.db2.gz ANJDAWUAJWDMDN-MNOVXSKESA-N 1 2 236.319 0.706 20 0 BCADLO OC[C@]1(O)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000313635511 350163731 /nfs/dbraw/zinc/16/37/31/350163731.db2.gz LFUPWLFOGWXJFT-ZDUSSCGKSA-N 1 2 247.298 0.887 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)NCCO ZINC000035187810 180103130 /nfs/dbraw/zinc/10/31/30/180103130.db2.gz JAHHCEZOZPTTOH-UHFFFAOYSA-N 1 2 233.271 0.453 20 0 BCADLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)O ZINC000270798099 180103884 /nfs/dbraw/zinc/10/38/84/180103884.db2.gz YTBVLGHBFPJCEO-VIFPVBQESA-N 1 2 247.298 0.842 20 0 BCADLO Cc1[nH]c(C(=O)NCCc2ccn(C)n2)c[nH+]1 ZINC000354764480 180129585 /nfs/dbraw/zinc/12/95/85/180129585.db2.gz HUHWJVJMDKWJFU-UHFFFAOYSA-N 1 2 233.275 0.424 20 0 BCADLO Cc1[nH]c(C(=O)NCCn2ccccc2=O)c[nH+]1 ZINC000339230646 180130390 /nfs/dbraw/zinc/13/03/90/180130390.db2.gz NJPNTEJWUPCPBY-UHFFFAOYSA-N 1 2 246.270 0.310 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](CO)CC2CCC2)c[nH+]1 ZINC000355700582 180132389 /nfs/dbraw/zinc/13/23/89/180132389.db2.gz MSLHCIYGDZOJKS-SNVBAGLBSA-N 1 2 237.303 0.999 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000339224570 180120124 /nfs/dbraw/zinc/12/01/24/180120124.db2.gz JCSHDFUUZLPRFA-RKDXNWHRSA-N 1 2 223.276 0.495 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCCCn1cccn1 ZINC000346148867 180120199 /nfs/dbraw/zinc/12/01/99/180120199.db2.gz LMKIIPXQVMZOFS-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCCCn1cccn1 ZINC000346148867 180120203 /nfs/dbraw/zinc/12/02/03/180120203.db2.gz LMKIIPXQVMZOFS-UHFFFAOYSA-N 1 2 247.302 0.664 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(=O)CC1 ZINC000346157938 180120543 /nfs/dbraw/zinc/12/05/43/180120543.db2.gz YVEILXFTQURGGU-UHFFFAOYSA-N 1 2 221.260 0.452 20 0 BCADLO Cc1[nH]c(C(=O)NC2(C(N)=O)CC2)c[nH+]1 ZINC000331414843 180128235 /nfs/dbraw/zinc/12/82/35/180128235.db2.gz ABJUAXRTOIEYCG-UHFFFAOYSA-N 1 2 208.221 0.516 20 0 BCADLO COc1ccnc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000604743680 350183985 /nfs/dbraw/zinc/18/39/85/350183985.db2.gz BYCBEWLPRLRSSD-UHFFFAOYSA-N 1 2 246.270 0.754 20 0 BCADLO Cc1nc(N2CC(CC(N)=O)C2)cc[nH+]1 ZINC000280245373 180193592 /nfs/dbraw/zinc/19/35/92/180193592.db2.gz MTCOHCCEDMNLGK-UHFFFAOYSA-N 1 2 206.249 0.097 20 0 BCADLO Cc1nc(N2CC[C@H](CO)[C@@H]2C)cc[nH+]1 ZINC000362669687 180194419 /nfs/dbraw/zinc/19/44/19/180194419.db2.gz UULLPYYMAQETKB-WCBMZHEXSA-N 1 2 207.277 0.992 20 0 BCADLO Cc1nc(N2CC[S@@](=O)C[C@@H](C)C2)cc[nH+]1 ZINC000277915188 180194524 /nfs/dbraw/zinc/19/45/24/180194524.db2.gz GQEORVBWTSWSKX-XXFAHNHDSA-N 1 2 239.344 0.990 20 0 BCADLO Cc1nc(NCC(=O)N2CCOCC2)cc[nH+]1 ZINC000271817560 180197440 /nfs/dbraw/zinc/19/74/40/180197440.db2.gz CFOPISCDBWUSBV-UHFFFAOYSA-N 1 2 236.275 0.056 20 0 BCADLO Cc1nc(NCC(C)(C)OCCO)cc[nH+]1 ZINC000309182063 180198090 /nfs/dbraw/zinc/19/80/90/180198090.db2.gz DIEHAGFWFHEAKZ-UHFFFAOYSA-N 1 2 225.292 0.984 20 0 BCADLO Cc1nc(NC[C@]2(O)CCO[C@H]2C)cc[nH+]1 ZINC000228007383 180200754 /nfs/dbraw/zinc/20/07/54/180200754.db2.gz FWDWLVSVQBOXKU-GZMMTYOYSA-N 1 2 223.276 0.737 20 0 BCADLO Cc1nc(N[C@@H](C(N)=O)C(C)C)cc[nH+]1 ZINC000152536167 180202176 /nfs/dbraw/zinc/20/21/76/180202176.db2.gz HVBGTTOKGBWDAK-SECBINFHSA-N 1 2 208.265 0.707 20 0 BCADLO Cc1nc(N[C@@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000281580268 180202606 /nfs/dbraw/zinc/20/26/06/180202606.db2.gz FSVYCBNIZPHDEB-VXNVDRBHSA-N 1 2 220.276 0.864 20 0 BCADLO Cc1nc(N[C@@H](CO)c2cnn(C)c2)cc[nH+]1 ZINC000270118706 180202833 /nfs/dbraw/zinc/20/28/33/180202833.db2.gz GGEMTYCALVKREL-JTQLQIEISA-N 1 2 233.275 0.664 20 0 BCADLO Cc1nc(N[C@@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000164220128 180203766 /nfs/dbraw/zinc/20/37/66/180203766.db2.gz PONANIOHRVSNOC-WJWGPLDTSA-N 1 2 213.306 0.964 20 0 BCADLO Cc1nc(N[C@@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000077900700 180203967 /nfs/dbraw/zinc/20/39/67/180203967.db2.gz OJOXSZQLXASHSR-SECBINFHSA-N 1 2 220.276 0.818 20 0 BCADLO Cc1nc(N[C@H]2CC(=O)N(C(C)C)C2=O)cc[nH+]1 ZINC000127605449 180204835 /nfs/dbraw/zinc/20/48/35/180204835.db2.gz IMVVDIUCRYNBBG-VIFPVBQESA-N 1 2 248.286 0.733 20 0 BCADLO Cc1nnc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)[nH]1 ZINC000428477242 191078987 /nfs/dbraw/zinc/07/89/87/191078987.db2.gz DMASTYGMPFNISH-HTQZYQBOSA-N 1 2 224.308 0.847 20 0 BCADLO Cc1nc(N[C@H](CO)[C@@H]2CCCO2)cc[nH+]1 ZINC000309864652 180204984 /nfs/dbraw/zinc/20/49/84/180204984.db2.gz NZLBPZWBVVHQDL-ZJUUUORDSA-N 1 2 223.276 0.737 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000427511602 191079134 /nfs/dbraw/zinc/07/91/34/191079134.db2.gz LISWIXNXTUNBDK-ZETCQYMHSA-N 1 2 223.276 0.154 20 0 BCADLO CC(C)(O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000427511602 191079137 /nfs/dbraw/zinc/07/91/37/191079137.db2.gz LISWIXNXTUNBDK-ZETCQYMHSA-N 1 2 223.276 0.154 20 0 BCADLO Cc1nccc(C[NH+]2CC(O)(C3CC3)C2)n1 ZINC000376114825 180183059 /nfs/dbraw/zinc/18/30/59/180183059.db2.gz OGSXCZYFFAAVPQ-UHFFFAOYSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1nccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000375628916 180184054 /nfs/dbraw/zinc/18/40/54/180184054.db2.gz OVNIEGLXWMOXBS-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000375628916 180184056 /nfs/dbraw/zinc/18/40/56/180184056.db2.gz OVNIEGLXWMOXBS-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1nccc(C[N@H+]2CCCN(C)C(=O)C2)n1 ZINC000369175217 180184929 /nfs/dbraw/zinc/18/49/29/180184929.db2.gz VNKQVOXRNRGKTA-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1nccc(C[N@@H+]2CCCN(C)C(=O)C2)n1 ZINC000369175217 180184931 /nfs/dbraw/zinc/18/49/31/180184931.db2.gz VNKQVOXRNRGKTA-UHFFFAOYSA-N 1 2 234.303 0.449 20 0 BCADLO Cc1nccc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)n1 ZINC000352973827 180185886 /nfs/dbraw/zinc/18/58/86/180185886.db2.gz CDUORVZFVNHSBF-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO Cc1nccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)n1 ZINC000352973827 180185889 /nfs/dbraw/zinc/18/58/89/180185889.db2.gz CDUORVZFVNHSBF-CABZTGNLSA-N 1 2 248.330 0.871 20 0 BCADLO C[C@@H](F)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637174002 350233372 /nfs/dbraw/zinc/23/33/72/350233372.db2.gz PXTZJGKEMPZPLI-BDAKNGLRSA-N 1 2 240.282 0.855 20 0 BCADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nncn1C ZINC000083584496 350243184 /nfs/dbraw/zinc/24/31/84/350243184.db2.gz STZHGMNOEGYYSY-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nncn1C ZINC000083584496 350243188 /nfs/dbraw/zinc/24/31/88/350243188.db2.gz STZHGMNOEGYYSY-MRVPVSSYSA-N 1 2 226.280 0.056 20 0 BCADLO CC(C)(C)OC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000026467131 350277655 /nfs/dbraw/zinc/27/76/55/350277655.db2.gz BQHUUFWLUXBHFB-UHFFFAOYSA-N 1 2 242.319 0.525 20 0 BCADLO Cc1cc(NC(=O)CC(=O)NCC2CC2)cc[nH+]1 ZINC000427843870 191094904 /nfs/dbraw/zinc/09/49/04/191094904.db2.gz URSAPWDBXYWYAJ-UHFFFAOYSA-N 1 2 247.298 0.667 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1ccccc1=O ZINC000606444345 350335685 /nfs/dbraw/zinc/33/56/85/350335685.db2.gz NNPXUPKQPBIDPR-LLVKDONJSA-N 1 2 249.314 0.059 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1ccccc1=O ZINC000606444345 350335687 /nfs/dbraw/zinc/33/56/87/350335687.db2.gz NNPXUPKQPBIDPR-LLVKDONJSA-N 1 2 249.314 0.059 20 0 BCADLO Cc1ncoc1C(=O)Nc1cc[nH+]cc1O ZINC000358339595 180300281 /nfs/dbraw/zinc/30/02/81/180300281.db2.gz ONAOTODZIDBOLU-UHFFFAOYSA-N 1 2 219.200 0.758 20 0 BCADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CO ZINC000309373296 350362338 /nfs/dbraw/zinc/36/23/38/350362338.db2.gz PSKKZKHLTAADJA-VHSXEESVSA-N 1 2 223.276 0.112 20 0 BCADLO COC[C@H](CCNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000617234797 350405170 /nfs/dbraw/zinc/40/51/70/350405170.db2.gz PWARGWHROPCVHY-VIFPVBQESA-N 1 2 241.291 0.499 20 0 BCADLO C[C@@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583349 350373432 /nfs/dbraw/zinc/37/34/32/350373432.db2.gz YALKGTYHFZBBRK-QMMMGPOBSA-N 1 2 234.259 0.837 20 0 BCADLO CCCNC(=O)CNc1cc(CC)[nH+]cn1 ZINC000040765132 350395444 /nfs/dbraw/zinc/39/54/44/350395444.db2.gz XQCODDONJWQJRT-UHFFFAOYSA-N 1 2 222.292 0.977 20 0 BCADLO CCc1cc(NCC(=O)NC(C)C)nc[nH+]1 ZINC000040765133 350395626 /nfs/dbraw/zinc/39/56/26/350395626.db2.gz ZAHQBDOQZPWCIO-UHFFFAOYSA-N 1 2 222.292 0.976 20 0 BCADLO COc1ccc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000131483884 191100302 /nfs/dbraw/zinc/10/03/02/191100302.db2.gz YXXYWYNUGUGOLH-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1ccc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000131483884 191100305 /nfs/dbraw/zinc/10/03/05/191100305.db2.gz YXXYWYNUGUGOLH-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO CC[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000336674991 350437385 /nfs/dbraw/zinc/43/73/85/350437385.db2.gz LRTRQSFJFYSKKJ-VXGBXAGGSA-N 1 2 228.336 0.164 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)ncn1 ZINC000428378690 191101548 /nfs/dbraw/zinc/10/15/48/191101548.db2.gz AUAMAEYXCLDGBC-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)ncn1 ZINC000428378690 191101551 /nfs/dbraw/zinc/10/15/51/191101551.db2.gz AUAMAEYXCLDGBC-CMPLNLGQSA-N 1 2 237.303 0.367 20 0 BCADLO Cn1cc[nH+]c1CN1C[C@H](CO)OC(C)(C)C1 ZINC000163756971 350421554 /nfs/dbraw/zinc/42/15/54/350421554.db2.gz XWGCGMDUPPLWAT-SNVBAGLBSA-N 1 2 239.319 0.392 20 0 BCADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2ncnc2C1 ZINC000329974603 180337391 /nfs/dbraw/zinc/33/73/91/180337391.db2.gz XMUQJPCKOSFMAO-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2ncnc2C1 ZINC000329974603 180337396 /nfs/dbraw/zinc/33/73/96/180337396.db2.gz XMUQJPCKOSFMAO-UHFFFAOYSA-N 1 2 246.318 0.644 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CCCO1 ZINC000336665975 350426833 /nfs/dbraw/zinc/42/68/33/350426833.db2.gz KAQMXSHFZGHSIJ-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CCCO1 ZINC000336665975 350426835 /nfs/dbraw/zinc/42/68/35/350426835.db2.gz KAQMXSHFZGHSIJ-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO COCC[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000226388946 350427042 /nfs/dbraw/zinc/42/70/42/350427042.db2.gz REKQZOBSXZONLY-NSHDSACASA-N 1 2 225.292 0.984 20 0 BCADLO CSC[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000309438276 350459600 /nfs/dbraw/zinc/45/96/00/350459600.db2.gz YWKPBMIGXOTQEQ-SNVBAGLBSA-N 1 2 243.332 0.113 20 0 BCADLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070008018 350491831 /nfs/dbraw/zinc/49/18/31/350491831.db2.gz SRCDBYGNDBCKOO-YUMQZZPRSA-N 1 2 210.281 0.205 20 0 BCADLO CCOC(=O)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000189685530 350472189 /nfs/dbraw/zinc/47/21/89/350472189.db2.gz SBXMKOOIKGPIBZ-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CCOC(=O)C[N@H+]1CC[C@@H](OCCOC)C1 ZINC000189685530 350472192 /nfs/dbraw/zinc/47/21/92/350472192.db2.gz SBXMKOOIKGPIBZ-SNVBAGLBSA-N 1 2 231.292 0.287 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427998558 191105867 /nfs/dbraw/zinc/10/58/67/191105867.db2.gz WDPXBPGPKSGESI-JTQLQIEISA-N 1 2 237.303 0.739 20 0 BCADLO CO[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427996673 191105742 /nfs/dbraw/zinc/10/57/42/191105742.db2.gz ZTLSBKDHMQJMKK-RKDXNWHRSA-N 1 2 223.276 0.349 20 0 BCADLO COCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428003626 191106177 /nfs/dbraw/zinc/10/61/77/191106177.db2.gz DHVOXDXGWZVGMP-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCC(=O)C2CC2)C1 ZINC000577505348 365972151 /nfs/dbraw/zinc/97/21/51/365972151.db2.gz YIIIQCMOFDUXBR-UHFFFAOYSA-N 1 2 224.304 0.424 20 0 BCADLO Cc1nnc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000185329639 180397304 /nfs/dbraw/zinc/39/73/04/180397304.db2.gz WJEDBQXITYAATP-UHFFFAOYSA-N 1 2 237.288 0.473 20 0 BCADLO O=C(CC[C@H]1CCOC1)NCc1c[nH+]c[nH]1 ZINC000401301237 490579536 /nfs/dbraw/zinc/57/95/36/490579536.db2.gz DUXZDCDCUMFVAF-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO O=C(CC[C@H]1CCOC1)NCc1c[nH]c[nH+]1 ZINC000401301237 490579539 /nfs/dbraw/zinc/57/95/39/490579539.db2.gz DUXZDCDCUMFVAF-VIFPVBQESA-N 1 2 223.276 0.843 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](c3cccnc3)C2)[nH]1 ZINC000577489310 365966731 /nfs/dbraw/zinc/96/67/31/365966731.db2.gz PYECQNYBCGGZBQ-JTQLQIEISA-N 1 2 245.286 0.895 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@H](c3cccnc3)C2)[nH]1 ZINC000577489310 365966736 /nfs/dbraw/zinc/96/67/36/365966736.db2.gz PYECQNYBCGGZBQ-JTQLQIEISA-N 1 2 245.286 0.895 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H](O)C1 ZINC000577487771 365967284 /nfs/dbraw/zinc/96/72/84/365967284.db2.gz ITWWAMPLXRHSNL-SECBINFHSA-N 1 2 222.292 0.259 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H](O)C1 ZINC000577487771 365967290 /nfs/dbraw/zinc/96/72/90/365967290.db2.gz ITWWAMPLXRHSNL-SECBINFHSA-N 1 2 222.292 0.259 20 0 BCADLO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000051102645 350604576 /nfs/dbraw/zinc/60/45/76/350604576.db2.gz GDOOOYOIRYCTTL-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000051102645 350604578 /nfs/dbraw/zinc/60/45/78/350604578.db2.gz GDOOOYOIRYCTTL-NSHDSACASA-N 1 2 238.262 0.512 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC(C)(C)C1 ZINC000637443303 350584402 /nfs/dbraw/zinc/58/44/02/350584402.db2.gz XDYDCPBWZPXRFT-SNVBAGLBSA-N 1 2 241.335 0.368 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC(C)(C)C1 ZINC000637443303 350584403 /nfs/dbraw/zinc/58/44/03/350584403.db2.gz XDYDCPBWZPXRFT-SNVBAGLBSA-N 1 2 241.335 0.368 20 0 BCADLO CCC(C)(C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444110 350585338 /nfs/dbraw/zinc/58/53/38/350585338.db2.gz OYDBMJMIRNAHMM-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO CCC(C)(C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444110 350585342 /nfs/dbraw/zinc/58/53/42/350585342.db2.gz OYDBMJMIRNAHMM-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444539 350586396 /nfs/dbraw/zinc/58/63/96/350586396.db2.gz BJYDXZVMAFWACY-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO CC[C@H](C)N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444539 350586399 /nfs/dbraw/zinc/58/63/99/350586399.db2.gz BJYDXZVMAFWACY-WDEREUQCSA-N 1 2 243.351 0.757 20 0 BCADLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(C)C)s1 ZINC000336770680 180445854 /nfs/dbraw/zinc/44/58/54/180445854.db2.gz WUIBLDYUBMVBLC-LURJTMIESA-N 1 2 228.321 0.585 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(NC(=O)C2CC2)C1 ZINC000577529373 365980381 /nfs/dbraw/zinc/98/03/81/365980381.db2.gz SBRAILPFTXUZKC-UHFFFAOYSA-N 1 2 246.314 0.808 20 0 BCADLO Cc1nnc2ccc(N(C)Cc3[nH]cc[nH+]3)nn12 ZINC000356849004 180448224 /nfs/dbraw/zinc/44/82/24/180448224.db2.gz DSFRFADQPCHVIQ-UHFFFAOYSA-N 1 2 243.274 0.792 20 0 BCADLO Cc1nnc2n1CC[N@@H+](C[C@H](O)C(C)C)C2 ZINC000374092983 180450072 /nfs/dbraw/zinc/45/00/72/180450072.db2.gz GXSBGYDGBGDMKX-JTQLQIEISA-N 1 2 224.308 0.419 20 0 BCADLO Cc1nnc2n1CC[N@H+](C[C@H](O)C(C)C)C2 ZINC000374092983 180450074 /nfs/dbraw/zinc/45/00/74/180450074.db2.gz GXSBGYDGBGDMKX-JTQLQIEISA-N 1 2 224.308 0.419 20 0 BCADLO Cc1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000052396001 191115771 /nfs/dbraw/zinc/11/57/71/191115771.db2.gz UHGUMLFCLVTYIY-VIFPVBQESA-N 1 2 211.265 0.582 20 0 BCADLO Cc1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000052396001 191115774 /nfs/dbraw/zinc/11/57/74/191115774.db2.gz UHGUMLFCLVTYIY-VIFPVBQESA-N 1 2 211.265 0.582 20 0 BCADLO OCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902141 350627261 /nfs/dbraw/zinc/62/72/61/350627261.db2.gz CXAACUZTHSYTDL-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO OCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902141 350627265 /nfs/dbraw/zinc/62/72/65/350627265.db2.gz CXAACUZTHSYTDL-ZETCQYMHSA-N 1 2 213.199 0.632 20 0 BCADLO C1CC[N@@H+]2C[C@H](c3nn[nH]n3)OC[C@@H]2C1 ZINC000095127659 350655845 /nfs/dbraw/zinc/65/58/45/350655845.db2.gz MVTWCSIXFYNVMB-JGVFFNPUSA-N 1 2 209.253 0.126 20 0 BCADLO C1CC[N@H+]2C[C@H](c3nn[nH]n3)OC[C@@H]2C1 ZINC000095127659 350655846 /nfs/dbraw/zinc/65/58/46/350655846.db2.gz MVTWCSIXFYNVMB-JGVFFNPUSA-N 1 2 209.253 0.126 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccoc1 ZINC000335717300 538099008 /nfs/dbraw/zinc/09/90/08/538099008.db2.gz YLFQKZROPWTFJX-UHFFFAOYSA-N 1 2 205.217 0.943 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623557829 362977423 /nfs/dbraw/zinc/97/74/23/362977423.db2.gz JNKRBOIHXWQUSH-OPRDCNLKSA-N 1 2 227.308 0.025 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623557829 362977427 /nfs/dbraw/zinc/97/74/27/362977427.db2.gz JNKRBOIHXWQUSH-OPRDCNLKSA-N 1 2 227.308 0.025 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177277291 365991219 /nfs/dbraw/zinc/99/12/19/365991219.db2.gz USWWLEIQNTVQGL-QMMMGPOBSA-N 1 2 240.225 0.074 20 0 BCADLO CN(C)C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177277291 365991224 /nfs/dbraw/zinc/99/12/24/365991224.db2.gz USWWLEIQNTVQGL-QMMMGPOBSA-N 1 2 240.225 0.074 20 0 BCADLO C[C@]1(CO)CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000577569694 365992550 /nfs/dbraw/zinc/99/25/50/365992550.db2.gz ZPNAWJHKYUNJGD-CMPLNLGQSA-N 1 2 237.303 0.550 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000051474647 350746656 /nfs/dbraw/zinc/74/66/56/350746656.db2.gz UQMCQABPLJQUIC-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000051474647 350746658 /nfs/dbraw/zinc/74/66/58/350746658.db2.gz UQMCQABPLJQUIC-MNOVXSKESA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)OCC(=O)NCCc1c[nH+]cn1C ZINC000401732727 350819851 /nfs/dbraw/zinc/81/98/51/350819851.db2.gz VUZXAFJOFNPSEE-UHFFFAOYSA-N 1 2 225.292 0.504 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)CO ZINC000339625420 350768628 /nfs/dbraw/zinc/76/86/28/350768628.db2.gz BSSGVKOTNBKNKW-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)CO ZINC000339625420 350768630 /nfs/dbraw/zinc/76/86/30/350768630.db2.gz BSSGVKOTNBKNKW-VIFPVBQESA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)(C)C)[C@H](C)CO ZINC000339625418 350768759 /nfs/dbraw/zinc/76/87/59/350768759.db2.gz BSSGVKOTNBKNKW-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@H](C)CO ZINC000339625418 350768760 /nfs/dbraw/zinc/76/87/60/350768760.db2.gz BSSGVKOTNBKNKW-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@H+](Cc1nnc2n1CCCC2)[C@@H](C)CO ZINC000339626203 350769300 /nfs/dbraw/zinc/76/93/00/350769300.db2.gz DWLKEJCGZRBEBP-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CC[N@@H+](Cc1nnc2n1CCCC2)[C@@H](C)CO ZINC000339626203 350769303 /nfs/dbraw/zinc/76/93/03/350769303.db2.gz DWLKEJCGZRBEBP-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CCn1ncnc1C[N@H+](CC)[C@H](C)CO ZINC000339632312 350770675 /nfs/dbraw/zinc/77/06/75/350770675.db2.gz BMDLRBNLBNQOAW-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO CCn1ncnc1C[N@@H+](CC)[C@H](C)CO ZINC000339632312 350770677 /nfs/dbraw/zinc/77/06/77/350770677.db2.gz BMDLRBNLBNQOAW-SECBINFHSA-N 1 2 212.297 0.501 20 0 BCADLO C[N@@H+](CC(N)=O)C[C@@H](O)c1c(F)cccc1F ZINC000051827624 350851819 /nfs/dbraw/zinc/85/18/19/350851819.db2.gz DJIZIECTMZVWKJ-SECBINFHSA-N 1 2 244.241 0.415 20 0 BCADLO C[N@H+](CC(N)=O)C[C@@H](O)c1c(F)cccc1F ZINC000051827624 350851821 /nfs/dbraw/zinc/85/18/21/350851821.db2.gz DJIZIECTMZVWKJ-SECBINFHSA-N 1 2 244.241 0.415 20 0 BCADLO Cc1ncccc1C[N@@H+]1CCn2nncc2C1 ZINC000563368205 350825472 /nfs/dbraw/zinc/82/54/72/350825472.db2.gz UXVAFMZOUHFPLR-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO Cc1ncccc1C[N@H+]1CCn2nncc2C1 ZINC000563368205 350825473 /nfs/dbraw/zinc/82/54/73/350825473.db2.gz UXVAFMZOUHFPLR-UHFFFAOYSA-N 1 2 229.287 0.997 20 0 BCADLO COCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575751385 350916538 /nfs/dbraw/zinc/91/65/38/350916538.db2.gz CTBSEOQGFVKDGB-JTQLQIEISA-N 1 2 225.292 0.939 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000637623286 350921235 /nfs/dbraw/zinc/92/12/35/350921235.db2.gz WQRMKUNLMOQQMA-UWVGGRQHSA-N 1 2 238.291 0.397 20 0 BCADLO C[NH+](Cc1nnnn1C1CC1)C[C@H]1CCCO1 ZINC000052101898 350930049 /nfs/dbraw/zinc/93/00/49/350930049.db2.gz YQHGJDLBMFPINV-SNVBAGLBSA-N 1 2 237.307 0.619 20 0 BCADLO COC[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000580954590 350933720 /nfs/dbraw/zinc/93/37/20/350933720.db2.gz UTGNRKMXXOAXLU-VIFPVBQESA-N 1 2 237.303 0.935 20 0 BCADLO CCC(=O)CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626307908 350953250 /nfs/dbraw/zinc/95/32/50/350953250.db2.gz YBGGLTJLQDFWGK-SNVBAGLBSA-N 1 2 249.314 0.849 20 0 BCADLO CCOC(=O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000577618832 366019213 /nfs/dbraw/zinc/01/92/13/366019213.db2.gz XSHQOCQRZARAKX-UHFFFAOYSA-N 1 2 239.275 0.714 20 0 BCADLO NC(=O)C[N@H+](Cc1ccon1)C1CCCC1 ZINC000607151140 351029490 /nfs/dbraw/zinc/02/94/90/351029490.db2.gz KAFAGNIBIAUEPX-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO NC(=O)C[N@@H+](Cc1ccon1)C1CCCC1 ZINC000607151140 351029492 /nfs/dbraw/zinc/02/94/92/351029492.db2.gz KAFAGNIBIAUEPX-UHFFFAOYSA-N 1 2 223.276 0.905 20 0 BCADLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000052635229 351062967 /nfs/dbraw/zinc/06/29/67/351062967.db2.gz JMPAPXIDEIWHCV-SECBINFHSA-N 1 2 214.309 0.622 20 0 BCADLO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cnn[nH]1 ZINC000623578161 363010110 /nfs/dbraw/zinc/01/01/10/363010110.db2.gz XWSCLWLEMWTSCW-UHFFFAOYSA-N 1 2 249.322 0.202 20 0 BCADLO c1cc(C[NH2+]Cc2cnn[nH]2)n(CC2CC2)n1 ZINC000623578622 363011201 /nfs/dbraw/zinc/01/12/01/363011201.db2.gz PWYDWAIXWYHEJZ-UHFFFAOYSA-N 1 2 232.291 0.701 20 0 BCADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cnn[nH]1 ZINC000623578481 363011267 /nfs/dbraw/zinc/01/12/67/363011267.db2.gz JGQZOOGWGFFUED-UHFFFAOYSA-N 1 2 232.291 0.705 20 0 BCADLO CCn1ncc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000631237723 351182890 /nfs/dbraw/zinc/18/28/90/351182890.db2.gz BSCLEGJNHZNSOT-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C)c[nH]1 ZINC000628325045 351246055 /nfs/dbraw/zinc/24/60/55/351246055.db2.gz WOHSIUGQUPELEY-NXEZZACHSA-N 1 2 225.292 0.300 20 0 BCADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C)c[nH]1 ZINC000628325045 351246060 /nfs/dbraw/zinc/24/60/60/351246060.db2.gz WOHSIUGQUPELEY-NXEZZACHSA-N 1 2 225.292 0.300 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1cccnc1 ZINC000335789601 538100156 /nfs/dbraw/zinc/10/01/56/538100156.db2.gz VZYNQPKFZLPYHS-UHFFFAOYSA-N 1 2 216.244 0.745 20 0 BCADLO CC(C)C[N@H+](CC(N)=O)Cc1ccno1 ZINC000264726851 351252874 /nfs/dbraw/zinc/25/28/74/351252874.db2.gz QKBJBTMMVOCWMI-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccno1 ZINC000264726851 351252875 /nfs/dbraw/zinc/25/28/75/351252875.db2.gz QKBJBTMMVOCWMI-UHFFFAOYSA-N 1 2 211.265 0.618 20 0 BCADLO Cc1c[nH]c(CN2CC[C@H](O)C(F)(F)C2)[nH+]1 ZINC000628337539 351280512 /nfs/dbraw/zinc/28/05/12/351280512.db2.gz JDIINTKLJBZQHB-QMMMGPOBSA-N 1 2 231.246 0.920 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000628338629 351285531 /nfs/dbraw/zinc/28/55/31/351285531.db2.gz QUOVSOPGLVGIQA-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000628338629 351285532 /nfs/dbraw/zinc/28/55/32/351285532.db2.gz QUOVSOPGLVGIQA-JTQLQIEISA-N 1 2 225.292 0.565 20 0 BCADLO Cc1[nH]c(CN(C)C[C@@H]2COCCO2)[nH+]c1C ZINC000628338774 351285638 /nfs/dbraw/zinc/28/56/38/351285638.db2.gz VQZQZQVJTZCRBK-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO Cc1nc(C[N@H+](C)C[C@@H]2COCCO2)[nH]c1C ZINC000628338774 351285640 /nfs/dbraw/zinc/28/56/40/351285640.db2.gz VQZQZQVJTZCRBK-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO Cc1nc(C[N@@H+](C)C[C@@H]2COCCO2)[nH]c1C ZINC000628338774 351285642 /nfs/dbraw/zinc/28/56/42/351285642.db2.gz VQZQZQVJTZCRBK-LLVKDONJSA-N 1 2 239.319 0.874 20 0 BCADLO CCN1CC[N@H+](Cc2nc(C)ccc2O)CC1=O ZINC000273380322 351525903 /nfs/dbraw/zinc/52/59/03/351525903.db2.gz GPNQTHXSHULAHK-UHFFFAOYSA-N 1 2 249.314 0.760 20 0 BCADLO CCN1CC[N@@H+](Cc2nc(C)ccc2O)CC1=O ZINC000273380322 351525905 /nfs/dbraw/zinc/52/59/05/351525905.db2.gz GPNQTHXSHULAHK-UHFFFAOYSA-N 1 2 249.314 0.760 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cnn(C)c1 ZINC000088094401 351568319 /nfs/dbraw/zinc/56/83/19/351568319.db2.gz CFRINUVSMHTSES-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cnn(C)c1 ZINC000088094401 351568320 /nfs/dbraw/zinc/56/83/20/351568320.db2.gz CFRINUVSMHTSES-KOLCDFICSA-N 1 2 225.292 0.002 20 0 BCADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)on1 ZINC000088094254 351569346 /nfs/dbraw/zinc/56/93/46/351569346.db2.gz IKASFEDNRHITQV-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)on1 ZINC000088094254 351569347 /nfs/dbraw/zinc/56/93/47/351569347.db2.gz IKASFEDNRHITQV-ONGXEEELSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@H]1CO[C@@H](CO)CN1Cc1c[nH+]cn1C ZINC000088094296 351569770 /nfs/dbraw/zinc/56/97/70/351569770.db2.gz QGVCVLRHBIUXRK-GXSJLCMTSA-N 1 2 225.292 0.002 20 0 BCADLO CCc1nnc(C[N@H+](C)CCc2cnccn2)[nH]1 ZINC000274677054 351576709 /nfs/dbraw/zinc/57/67/09/351576709.db2.gz VJEYJFYCYFLNJT-UHFFFAOYSA-N 1 2 246.318 0.832 20 0 BCADLO CCc1nnc(C[N@@H+](C)CCc2cnccn2)[nH]1 ZINC000274677054 351576711 /nfs/dbraw/zinc/57/67/11/351576711.db2.gz VJEYJFYCYFLNJT-UHFFFAOYSA-N 1 2 246.318 0.832 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccnc1 ZINC000088094458 351597939 /nfs/dbraw/zinc/59/79/39/351597939.db2.gz BBMONUSWJPUEJS-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccnc1 ZINC000088094458 351597941 /nfs/dbraw/zinc/59/79/41/351597941.db2.gz BBMONUSWJPUEJS-CMPLNLGQSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000577671963 366033952 /nfs/dbraw/zinc/03/39/52/366033952.db2.gz COCIBSZUWSMKGX-ZJUUUORDSA-N 1 2 223.276 0.519 20 0 BCADLO O=C1C[N@H+](Cc2ccc3nccnc3c2)CCN1 ZINC000637849168 351706874 /nfs/dbraw/zinc/70/68/74/351706874.db2.gz PQPDVJYAMNAGRR-UHFFFAOYSA-N 1 2 242.282 0.562 20 0 BCADLO O=C1C[N@@H+](Cc2ccc3nccnc3c2)CCN1 ZINC000637849168 351706878 /nfs/dbraw/zinc/70/68/78/351706878.db2.gz PQPDVJYAMNAGRR-UHFFFAOYSA-N 1 2 242.282 0.562 20 0 BCADLO C[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000637883616 351747669 /nfs/dbraw/zinc/74/76/69/351747669.db2.gz QKPLHFRMCWZKJC-GFCCVEGCSA-N 1 2 242.363 0.818 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc(C(F)F)nc1 ZINC000637893326 351762127 /nfs/dbraw/zinc/76/21/27/351762127.db2.gz HKMPDAXRCZMCQY-UHFFFAOYSA-N 1 2 229.230 0.936 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc(C(F)F)nc1 ZINC000637893326 351762131 /nfs/dbraw/zinc/76/21/31/351762131.db2.gz HKMPDAXRCZMCQY-UHFFFAOYSA-N 1 2 229.230 0.936 20 0 BCADLO CC[C@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637937608 351815501 /nfs/dbraw/zinc/81/55/01/351815501.db2.gz VVHVXZWWUJIPSR-VHSXEESVSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@H]1C(=O)NCCN1[C@H](c1[nH+]ccn1C)C1CC1 ZINC000637989102 351864598 /nfs/dbraw/zinc/86/45/98/351864598.db2.gz GWQSHFUUUQUJNT-ONGXEEELSA-N 1 2 248.330 0.692 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccncc2O)C1 ZINC000124995023 191143706 /nfs/dbraw/zinc/14/37/06/191143706.db2.gz HYOZLEMMAVLDJI-SNVBAGLBSA-N 1 2 237.259 0.056 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccncc2O)C1 ZINC000124995023 191143709 /nfs/dbraw/zinc/14/37/09/191143709.db2.gz HYOZLEMMAVLDJI-SNVBAGLBSA-N 1 2 237.259 0.056 20 0 BCADLO CC[N@H+](Cc1ccc(F)cn1)[C@H]1CCNC1=O ZINC000282244888 351927916 /nfs/dbraw/zinc/92/79/16/351927916.db2.gz GFPVBEIRKUNCIO-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@@H+](Cc1ccc(F)cn1)[C@H]1CCNC1=O ZINC000282244888 351927920 /nfs/dbraw/zinc/92/79/20/351927920.db2.gz GFPVBEIRKUNCIO-NSHDSACASA-N 1 2 237.278 0.931 20 0 BCADLO CC[N@H+](Cc1ccn(C)n1)[C@@H]1CCNC1=O ZINC000282385887 351931416 /nfs/dbraw/zinc/93/14/16/351931416.db2.gz OPUHCANTIRXDPR-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1ccn(C)n1)[C@@H]1CCNC1=O ZINC000282385887 351931418 /nfs/dbraw/zinc/93/14/18/351931418.db2.gz OPUHCANTIRXDPR-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@H+](Cc1ccn(C)n1)[C@H]1CCNC1=O ZINC000282384138 351931436 /nfs/dbraw/zinc/93/14/36/351931436.db2.gz OPUHCANTIRXDPR-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CC[N@@H+](Cc1ccn(C)n1)[C@H]1CCNC1=O ZINC000282384138 351931437 /nfs/dbraw/zinc/93/14/37/351931437.db2.gz OPUHCANTIRXDPR-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CN1CC[N@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000638090195 351968416 /nfs/dbraw/zinc/96/84/16/351968416.db2.gz VPBCKGHRBURFRZ-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO CN1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000638090195 351968417 /nfs/dbraw/zinc/96/84/17/351968417.db2.gz VPBCKGHRBURFRZ-UHFFFAOYSA-N 1 2 221.260 0.061 20 0 BCADLO CN1CC[C@@H]([N@H+](C)Cc2ccns2)C1=O ZINC000638103425 351982834 /nfs/dbraw/zinc/98/28/34/351982834.db2.gz NOMNLEZQAGMFOL-SECBINFHSA-N 1 2 225.317 0.806 20 0 BCADLO CN1CC[C@@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000638103425 351982837 /nfs/dbraw/zinc/98/28/37/351982837.db2.gz NOMNLEZQAGMFOL-SECBINFHSA-N 1 2 225.317 0.806 20 0 BCADLO CC1(C)C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000284494719 351998576 /nfs/dbraw/zinc/99/85/76/351998576.db2.gz UOTBXEDZSKJMFP-CDAZIORVSA-N 1 2 249.270 0.633 20 0 BCADLO COC(=O)C1(C)CN(c2cc(C)[nH+]cn2)C1 ZINC000425284738 191149900 /nfs/dbraw/zinc/14/99/00/191149900.db2.gz QXIMZVIGYQUZCB-UHFFFAOYSA-N 1 2 221.260 0.784 20 0 BCADLO CCCCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163779854 352137331 /nfs/dbraw/zinc/13/73/31/352137331.db2.gz AYIGDXKAVXEJOT-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCCCOCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163779854 352137333 /nfs/dbraw/zinc/13/73/33/352137333.db2.gz AYIGDXKAVXEJOT-WDEREUQCSA-N 1 2 245.319 0.411 20 0 BCADLO CCc1nc(N2C[C@@H](O)C[C@H]2CO)cc(C)[nH+]1 ZINC000287038981 352111688 /nfs/dbraw/zinc/11/16/88/352111688.db2.gz WLDDBQUWGSOFTA-UWVGGRQHSA-N 1 2 237.303 0.279 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)cnn1C ZINC000289298323 352178898 /nfs/dbraw/zinc/17/88/98/352178898.db2.gz HZEQJALDPOVHPM-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)cnn1C ZINC000289298323 352178903 /nfs/dbraw/zinc/17/89/03/352178903.db2.gz HZEQJALDPOVHPM-SNVBAGLBSA-N 1 2 236.319 0.439 20 0 BCADLO C[C@]1(C2CC2)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000617390418 352243731 /nfs/dbraw/zinc/24/37/31/352243731.db2.gz JXPGVMYVVOKQSX-CYBMUJFWSA-N 1 2 249.314 0.911 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H](C)O ZINC000411234306 191171945 /nfs/dbraw/zinc/17/19/45/191171945.db2.gz XXDQYWFHKRZUIS-MRVPVSSYSA-N 1 2 203.282 0.689 20 0 BCADLO O=C(Cn1cc[nH+]c1)N=c1[nH]c2ccccc2[nH]1 ZINC000073406517 352348117 /nfs/dbraw/zinc/34/81/17/352348117.db2.gz CEGAPMQIWOTJMV-UHFFFAOYSA-N 1 2 241.254 0.820 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000411434775 191186207 /nfs/dbraw/zinc/18/62/07/191186207.db2.gz ZRSFERSOKBFUOK-NSHDSACASA-N 1 2 214.309 0.623 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000411434775 191186210 /nfs/dbraw/zinc/18/62/10/191186210.db2.gz ZRSFERSOKBFUOK-NSHDSACASA-N 1 2 214.309 0.623 20 0 BCADLO C[C@]1(F)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000434480049 191190282 /nfs/dbraw/zinc/19/02/82/191190282.db2.gz LXPXZVJOEGBXKE-UWVGGRQHSA-N 1 2 235.324 0.855 20 0 BCADLO C[C@]1(F)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000434480049 191190283 /nfs/dbraw/zinc/19/02/83/191190283.db2.gz LXPXZVJOEGBXKE-UWVGGRQHSA-N 1 2 235.324 0.855 20 0 BCADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000411666408 191202962 /nfs/dbraw/zinc/20/29/62/191202962.db2.gz HVNCVMXKTNMYRQ-IONNQARKSA-N 1 2 224.308 0.877 20 0 BCADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000411666408 191202965 /nfs/dbraw/zinc/20/29/65/191202965.db2.gz HVNCVMXKTNMYRQ-IONNQARKSA-N 1 2 224.308 0.877 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCC(=O)OC)C(=O)OC ZINC000411519156 191191946 /nfs/dbraw/zinc/19/19/46/191191946.db2.gz LKIYNIORCFSKTC-WPRPVWTQSA-N 1 2 231.292 0.727 20 0 BCADLO CCC(CC)([NH2+]CCC(=O)OC)C(=O)OC ZINC000411534515 191192495 /nfs/dbraw/zinc/19/24/95/191192495.db2.gz DQHWNQVGIVLYJB-UHFFFAOYSA-N 1 2 231.292 0.871 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cncs1 ZINC000411575848 191195795 /nfs/dbraw/zinc/19/57/95/191195795.db2.gz WYKOHUNPVRAATG-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cncs1 ZINC000411575848 191195798 /nfs/dbraw/zinc/19/57/98/191195798.db2.gz WYKOHUNPVRAATG-VIFPVBQESA-N 1 2 239.344 0.848 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)NCCCCF ZINC000361478925 180745575 /nfs/dbraw/zinc/74/55/75/180745575.db2.gz ZLDPYJJTQPCMTD-UHFFFAOYSA-N 1 2 228.271 0.969 20 0 BCADLO CCc1nocc1C(=O)NCCc1c[nH+]cn1C ZINC000613414067 363188608 /nfs/dbraw/zinc/18/86/08/363188608.db2.gz ZXHKMAHLEPJECN-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO CCN(C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC000608011130 352605924 /nfs/dbraw/zinc/60/59/24/352605924.db2.gz PBZUDZBHACMIBN-LLVKDONJSA-N 1 2 237.303 0.768 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411882274 191225680 /nfs/dbraw/zinc/22/56/80/191225680.db2.gz YKOPCCILCHYANL-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411882274 191225682 /nfs/dbraw/zinc/22/56/82/191225682.db2.gz YKOPCCILCHYANL-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnsn1 ZINC000053025328 352651643 /nfs/dbraw/zinc/65/16/43/352651643.db2.gz JCVHISRYEJWLQG-SSDOTTSWSA-N 1 2 237.288 0.553 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569757 352623103 /nfs/dbraw/zinc/62/31/03/352623103.db2.gz VBLJENOGLGDKSM-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569757 352623104 /nfs/dbraw/zinc/62/31/04/352623104.db2.gz VBLJENOGLGDKSM-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@](C)([C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000411967868 191234420 /nfs/dbraw/zinc/23/44/20/191234420.db2.gz IVZMMGWNNXWPJB-WRWORJQWSA-N 1 2 240.307 0.804 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@](C)(O)C1 ZINC000360291164 180782201 /nfs/dbraw/zinc/78/22/01/180782201.db2.gz UGSGZLZKUZXIQT-LLVKDONJSA-N 1 2 238.291 0.086 20 0 BCADLO COCC1(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000617469686 352716885 /nfs/dbraw/zinc/71/68/85/352716885.db2.gz UMJANVXXGLJKTJ-UHFFFAOYSA-N 1 2 223.276 0.521 20 0 BCADLO CC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000608081626 352732856 /nfs/dbraw/zinc/73/28/56/352732856.db2.gz FJKOEAAPJJLPQN-UHFFFAOYSA-N 1 2 234.303 0.890 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000034227157 363194236 /nfs/dbraw/zinc/19/42/36/363194236.db2.gz JYJKFDHLEYMLDX-RYUDHWBXSA-N 1 2 235.283 0.795 20 0 BCADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000034227157 363194240 /nfs/dbraw/zinc/19/42/40/363194240.db2.gz JYJKFDHLEYMLDX-RYUDHWBXSA-N 1 2 235.283 0.795 20 0 BCADLO CC(C)(CNC(=O)N1CCC1)[NH+]1CCOCC1 ZINC000334187524 352777566 /nfs/dbraw/zinc/77/75/66/352777566.db2.gz GVFALVDFPOTKTO-UHFFFAOYSA-N 1 2 241.335 0.513 20 0 BCADLO C[C@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H](C)S1 ZINC000334219972 352822207 /nfs/dbraw/zinc/82/22/07/352822207.db2.gz QYRFSSCJBVDSFH-YUMQZZPRSA-N 1 2 242.348 0.434 20 0 BCADLO CC(C)[C@H](NC(=O)c1cnn(C)n1)c1[nH]cc[nH+]1 ZINC000288110150 187857859 /nfs/dbraw/zinc/85/78/59/187857859.db2.gz MVCQPRVBXBMQOE-VIFPVBQESA-N 1 2 248.290 0.665 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000412074568 191251493 /nfs/dbraw/zinc/25/14/93/191251493.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000412074568 191251494 /nfs/dbraw/zinc/25/14/94/191251494.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000412074568 191251496 /nfs/dbraw/zinc/25/14/96/191251496.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000412074568 191251498 /nfs/dbraw/zinc/25/14/98/191251498.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000412074568 191251501 /nfs/dbraw/zinc/25/15/01/191251501.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000412074568 191251502 /nfs/dbraw/zinc/25/15/02/191251502.db2.gz RGMOKATVPWYFDK-LLVKDONJSA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000412074570 191252359 /nfs/dbraw/zinc/25/23/59/191252359.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000412074570 191252360 /nfs/dbraw/zinc/25/23/60/191252360.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000412074570 191252363 /nfs/dbraw/zinc/25/23/63/191252363.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000412074570 191252365 /nfs/dbraw/zinc/25/23/65/191252365.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000412074570 191252367 /nfs/dbraw/zinc/25/23/67/191252367.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000412074570 191252370 /nfs/dbraw/zinc/25/23/70/191252370.db2.gz RGMOKATVPWYFDK-NSHDSACASA-N 1 2 238.291 0.580 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](O)C(C)(C)C2)n1C ZINC000342844768 352872498 /nfs/dbraw/zinc/87/24/98/352872498.db2.gz GXNLIXRKFIZLEC-JTQLQIEISA-N 1 2 223.320 0.931 20 0 BCADLO Cc1c[nH+]c(CN2CC(=O)N(C3CC3)C2)n1C ZINC000342855407 352876633 /nfs/dbraw/zinc/87/66/33/352876633.db2.gz WCJCHWRWKZRDQV-UHFFFAOYSA-N 1 2 234.303 0.493 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000334299166 352919558 /nfs/dbraw/zinc/91/95/58/352919558.db2.gz PYOIKPPIINHNNN-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000334299166 352919559 /nfs/dbraw/zinc/91/95/59/352919559.db2.gz PYOIKPPIINHNNN-QMMMGPOBSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)nc1 ZINC000412097189 191260292 /nfs/dbraw/zinc/26/02/92/191260292.db2.gz SXCMRFJCVPEHQK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)ccn1 ZINC000342876543 352885284 /nfs/dbraw/zinc/88/52/84/352885284.db2.gz RWFJTQDLIULYOE-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)ccn1 ZINC000342876543 352885287 /nfs/dbraw/zinc/88/52/87/352885287.db2.gz RWFJTQDLIULYOE-JTQLQIEISA-N 1 2 235.287 0.411 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)nc1 ZINC000412097189 191260294 /nfs/dbraw/zinc/26/02/94/191260294.db2.gz SXCMRFJCVPEHQK-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)nc1 ZINC000412097175 191259812 /nfs/dbraw/zinc/25/98/12/191259812.db2.gz SXCMRFJCVPEHQK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)nc1 ZINC000412097175 191259814 /nfs/dbraw/zinc/25/98/14/191259814.db2.gz SXCMRFJCVPEHQK-AAEUAGOBSA-N 1 2 236.315 0.972 20 0 BCADLO Cn1cc[nH+]c1CN1CCOCC12CC2 ZINC000334262109 352894646 /nfs/dbraw/zinc/89/46/46/352894646.db2.gz YWMHGWFUPBOXNW-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO O=C1[C@@H]([NH+]2CCOCC2)CCN1C1CC1 ZINC000334337466 352973384 /nfs/dbraw/zinc/97/33/84/352973384.db2.gz VWCQKSNWZYVIDJ-JTQLQIEISA-N 1 2 210.277 0.082 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000334318416 352948654 /nfs/dbraw/zinc/94/86/54/352948654.db2.gz WKGWZRJQEXYSNY-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000334318416 352948657 /nfs/dbraw/zinc/94/86/57/352948657.db2.gz WKGWZRJQEXYSNY-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO Cc1cc(C[NH2+]CC(=O)NCC(F)F)on1 ZINC000393687514 353017377 /nfs/dbraw/zinc/01/73/77/353017377.db2.gz VJBUBEOLLKKHMM-UHFFFAOYSA-N 1 2 233.218 0.454 20 0 BCADLO CN(C)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC000638844826 353025675 /nfs/dbraw/zinc/02/56/75/353025675.db2.gz XERZKSAJTCEQDO-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC000638844826 353025677 /nfs/dbraw/zinc/02/56/77/353025677.db2.gz XERZKSAJTCEQDO-UHFFFAOYSA-N 1 2 242.348 0.846 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C1CC1 ZINC000071140303 180822528 /nfs/dbraw/zinc/82/25/28/180822528.db2.gz GYNKAFUTKYUIDX-SECBINFHSA-N 1 2 233.275 0.546 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412102965 191262099 /nfs/dbraw/zinc/26/20/99/191262099.db2.gz YJSRKZKTXKDAPV-ZYHUDNBSSA-N 1 2 229.320 0.827 20 0 BCADLO CCC(=O)CCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412102965 191262102 /nfs/dbraw/zinc/26/21/02/191262102.db2.gz YJSRKZKTXKDAPV-ZYHUDNBSSA-N 1 2 229.320 0.827 20 0 BCADLO COC1CC(C(=O)NCCc2c[nH+]cn2C)C1 ZINC000626420743 353057859 /nfs/dbraw/zinc/05/78/59/353057859.db2.gz RLWNSOPNRZBMSP-UHFFFAOYSA-N 1 2 237.303 0.504 20 0 BCADLO Cc1nocc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334396730 353070115 /nfs/dbraw/zinc/07/01/15/353070115.db2.gz CKQBNZRRFZWDAX-LLVKDONJSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1nocc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334396730 353070117 /nfs/dbraw/zinc/07/01/17/353070117.db2.gz CKQBNZRRFZWDAX-LLVKDONJSA-N 1 2 235.287 0.790 20 0 BCADLO Cc1ccnc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000353488008 188060768 /nfs/dbraw/zinc/06/07/68/188060768.db2.gz GAECEALRGKTVCX-UHFFFAOYSA-N 1 2 207.277 0.740 20 0 BCADLO Cc1ccnc(C[N@H+](C)C2CC(O)C2)n1 ZINC000353488008 188060769 /nfs/dbraw/zinc/06/07/69/188060769.db2.gz GAECEALRGKTVCX-UHFFFAOYSA-N 1 2 207.277 0.740 20 0 BCADLO CC(C)c1nc(N2CC(CC(N)=O)C2)cc[nH+]1 ZINC000360052557 188069382 /nfs/dbraw/zinc/06/93/82/188069382.db2.gz IAEJVGKKWZCESZ-UHFFFAOYSA-N 1 2 234.303 0.912 20 0 BCADLO CC(C)[C@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC000362349205 188071899 /nfs/dbraw/zinc/07/18/99/188071899.db2.gz SJGWYVDCDVQRCN-NSHDSACASA-N 1 2 239.319 0.654 20 0 BCADLO OC[C@@H]1CC(F)(F)CN1CCCn1cc[nH+]c1 ZINC000372498529 188075032 /nfs/dbraw/zinc/07/50/32/188075032.db2.gz XOGLNYUDSRWHCK-JTQLQIEISA-N 1 2 245.273 0.975 20 0 BCADLO C[C@@]12CCCN1C(=O)N(CCn1cc[nH+]c1)C2=O ZINC000329401303 538108986 /nfs/dbraw/zinc/10/89/86/538108986.db2.gz YYBTVAVAEPEJGU-LBPRGKRZSA-N 1 2 248.286 0.700 20 0 BCADLO COCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000279877227 188095761 /nfs/dbraw/zinc/09/57/61/188095761.db2.gz HCHSYZAMMIZVCW-UHFFFAOYSA-N 1 2 227.289 0.675 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC(=O)N(C2CC2)C1 ZINC000329513383 538109174 /nfs/dbraw/zinc/10/91/74/538109174.db2.gz NUXITIAPNNMXOE-UHFFFAOYSA-N 1 2 248.286 0.133 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000329513383 538109175 /nfs/dbraw/zinc/10/91/75/538109175.db2.gz NUXITIAPNNMXOE-UHFFFAOYSA-N 1 2 248.286 0.133 20 0 BCADLO Cn1nnnc1SCc1ccc[nH+]c1N ZINC000052755917 180876723 /nfs/dbraw/zinc/87/67/23/180876723.db2.gz SWHCQCDOAYXQGL-UHFFFAOYSA-N 1 2 222.277 0.480 20 0 BCADLO CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000044448767 188123365 /nfs/dbraw/zinc/12/33/65/188123365.db2.gz AQXNWYRTVSZZIO-UHFFFAOYSA-N 1 2 237.303 0.956 20 0 BCADLO CC(=O)CCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000363442849 188128947 /nfs/dbraw/zinc/12/89/47/188128947.db2.gz AFRDACXENIGLEL-LLVKDONJSA-N 1 2 249.314 0.992 20 0 BCADLO CC[C@@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330944931 353203066 /nfs/dbraw/zinc/20/30/66/353203066.db2.gz FUZPNJJTBVDMPS-MRVPVSSYSA-N 1 2 211.265 0.493 20 0 BCADLO CC(C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000075238349 188132403 /nfs/dbraw/zinc/13/24/03/188132403.db2.gz BUVPLDDQAWRGIR-UHFFFAOYSA-N 1 2 233.271 0.835 20 0 BCADLO Oc1cccnc1C[NH2+]Cc1cc[nH]n1 ZINC000336650577 188163133 /nfs/dbraw/zinc/16/31/33/188163133.db2.gz MVWKIQAMFSTCFE-UHFFFAOYSA-N 1 2 204.233 0.800 20 0 BCADLO CC(=O)N1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000264815269 188193900 /nfs/dbraw/zinc/19/39/00/188193900.db2.gz UGHBSFRUHMDFTG-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO Cc1c(C[N@H+]2CCOC[C@@H]2C)cnn1C ZINC000268937009 188197860 /nfs/dbraw/zinc/19/78/60/188197860.db2.gz SCSVEPBIJPIWBE-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1c(C[N@@H+]2CCOC[C@@H]2C)cnn1C ZINC000268937009 188197862 /nfs/dbraw/zinc/19/78/62/188197862.db2.gz SCSVEPBIJPIWBE-VIFPVBQESA-N 1 2 209.293 0.949 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOCCO ZINC000134545673 538112838 /nfs/dbraw/zinc/11/28/38/538112838.db2.gz BPMFFJMPBPIFGD-QMMMGPOBSA-N 1 2 213.281 0.378 20 0 BCADLO C=Cn1cc(C[N@@H+](CC)CC(=O)NCC)cn1 ZINC000193627234 188175115 /nfs/dbraw/zinc/17/51/15/188175115.db2.gz RNAJLROMDZGVSE-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO C=Cn1cc(C[N@H+](CC)CC(=O)NCC)cn1 ZINC000193627234 188175116 /nfs/dbraw/zinc/17/51/16/188175116.db2.gz RNAJLROMDZGVSE-UHFFFAOYSA-N 1 2 236.319 0.942 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC(N)=O ZINC000332025718 188192623 /nfs/dbraw/zinc/19/26/23/188192623.db2.gz RIAHBZLJVWRQBK-SECBINFHSA-N 1 2 227.308 0.758 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC(N)=O ZINC000332025718 188192624 /nfs/dbraw/zinc/19/26/24/188192624.db2.gz RIAHBZLJVWRQBK-SECBINFHSA-N 1 2 227.308 0.758 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134569205 538113500 /nfs/dbraw/zinc/11/35/00/538113500.db2.gz HAMBWKILDUFFAK-WCBMZHEXSA-N 1 2 227.308 0.766 20 0 BCADLO CC(=O)NCCCN(C)c1cc(C)[nH+]cn1 ZINC000301287731 188216049 /nfs/dbraw/zinc/21/60/49/188216049.db2.gz NKJPUNIQPVMRRC-UHFFFAOYSA-N 1 2 222.292 0.747 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCOCC3(CC3)C2)s1 ZINC000367464089 188206162 /nfs/dbraw/zinc/20/61/62/188206162.db2.gz POXOERXYXIYEOE-UHFFFAOYSA-N 1 2 241.316 0.856 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCOCC3(CC3)C2)s1 ZINC000367464089 188206163 /nfs/dbraw/zinc/20/61/63/188206163.db2.gz POXOERXYXIYEOE-UHFFFAOYSA-N 1 2 241.316 0.856 20 0 BCADLO O=C1N=NC(C[N@@H+]2CCOCC3(CC3)C2)S1 ZINC000367464089 188206165 /nfs/dbraw/zinc/20/61/65/188206165.db2.gz POXOERXYXIYEOE-UHFFFAOYSA-N 1 2 241.316 0.856 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340282187 188209205 /nfs/dbraw/zinc/20/92/05/188209205.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340282187 188209207 /nfs/dbraw/zinc/20/92/07/188209207.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340282187 188209209 /nfs/dbraw/zinc/20/92/09/188209209.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340282187 188209210 /nfs/dbraw/zinc/20/92/10/188209210.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000340282187 188209212 /nfs/dbraw/zinc/20/92/12/188209212.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340282187 188209214 /nfs/dbraw/zinc/20/92/14/188209214.db2.gz BRLNUOQLNIQBEA-JTQLQIEISA-N 1 2 237.307 0.153 20 0 BCADLO COc1ccncc1C[N@H+](CC(N)=O)C(C)C ZINC000287426826 188209491 /nfs/dbraw/zinc/20/94/91/188209491.db2.gz TXYBPGJXWYASSN-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1ccncc1C[N@@H+](CC(N)=O)C(C)C ZINC000287426826 188209493 /nfs/dbraw/zinc/20/94/93/188209493.db2.gz TXYBPGJXWYASSN-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO Cc1ccncc1C[N@@H+](C)CC(=O)N(C)C ZINC000352341969 188228268 /nfs/dbraw/zinc/22/82/68/188228268.db2.gz MNAMXEACSRYZEA-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO Cc1ccncc1C[N@H+](C)CC(=O)N(C)C ZINC000352341969 188228269 /nfs/dbraw/zinc/22/82/69/188228269.db2.gz MNAMXEACSRYZEA-UHFFFAOYSA-N 1 2 221.304 0.910 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N(C)C ZINC000334501376 353334760 /nfs/dbraw/zinc/33/47/60/353334760.db2.gz QJJJURGEULLFTQ-SNVBAGLBSA-N 1 2 229.324 0.321 20 0 BCADLO Cc1cnc(C[NH2+]C(C)(C)CS(C)(=O)=O)o1 ZINC000639046228 353336120 /nfs/dbraw/zinc/33/61/20/353336120.db2.gz BFAFUNAHBDXAOF-UHFFFAOYSA-N 1 2 246.332 0.896 20 0 BCADLO CC(C)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1=O ZINC000177639556 535223968 /nfs/dbraw/zinc/22/39/68/535223968.db2.gz RDQDOGNTKPFWAF-SNVBAGLBSA-N 1 2 241.335 0.016 20 0 BCADLO CC(C)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1=O ZINC000177639556 535223970 /nfs/dbraw/zinc/22/39/70/535223970.db2.gz RDQDOGNTKPFWAF-SNVBAGLBSA-N 1 2 241.335 0.016 20 0 BCADLO CCC[C@H](C[N@@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046878 353337398 /nfs/dbraw/zinc/33/73/98/353337398.db2.gz DWVPTJJEMAGPPB-SECBINFHSA-N 1 2 240.307 0.614 20 0 BCADLO CCC[C@H](C[N@H+]1CCN2C(=O)N=NC2C1)OC ZINC000639046878 353337402 /nfs/dbraw/zinc/33/74/02/353337402.db2.gz DWVPTJJEMAGPPB-SECBINFHSA-N 1 2 240.307 0.614 20 0 BCADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCNC2=O)[nH+]1 ZINC000080970684 353395786 /nfs/dbraw/zinc/39/57/86/353395786.db2.gz CJPNVVZIMJVKMR-VIFPVBQESA-N 1 2 245.286 0.957 20 0 BCADLO CC[N@H+](CC(=O)N1CCc2[nH]nnc2C1)C1CC1 ZINC000343294320 353377345 /nfs/dbraw/zinc/37/73/45/353377345.db2.gz KIYVGBFYVDAOBR-UHFFFAOYSA-N 1 2 249.318 0.174 20 0 BCADLO CC[N@@H+](CC(=O)N1CCc2[nH]nnc2C1)C1CC1 ZINC000343294320 353377348 /nfs/dbraw/zinc/37/73/48/353377348.db2.gz KIYVGBFYVDAOBR-UHFFFAOYSA-N 1 2 249.318 0.174 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@H](O)CSC)C1 ZINC000425505292 353402351 /nfs/dbraw/zinc/40/23/51/353402351.db2.gz BLMBFODAICATSI-VIFPVBQESA-N 1 2 232.349 0.222 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000425505292 353402352 /nfs/dbraw/zinc/40/23/52/353402352.db2.gz BLMBFODAICATSI-VIFPVBQESA-N 1 2 232.349 0.222 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC000639090896 353451583 /nfs/dbraw/zinc/45/15/83/353451583.db2.gz OKMZXNBNKSNTGL-MRVPVSSYSA-N 1 2 247.345 0.006 20 0 BCADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000639090896 353451586 /nfs/dbraw/zinc/45/15/86/353451586.db2.gz OKMZXNBNKSNTGL-MRVPVSSYSA-N 1 2 247.345 0.006 20 0 BCADLO CCOC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000563742690 353453599 /nfs/dbraw/zinc/45/35/99/353453599.db2.gz OXFYGBNBDLQRTC-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](F)C2)C1 ZINC000334510426 353458561 /nfs/dbraw/zinc/45/85/61/353458561.db2.gz LEXRENMHCUGYLG-UWVGGRQHSA-N 1 2 245.298 0.070 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](F)C2)C1 ZINC000334510426 353458562 /nfs/dbraw/zinc/45/85/62/353458562.db2.gz LEXRENMHCUGYLG-UWVGGRQHSA-N 1 2 245.298 0.070 20 0 BCADLO CC(C)[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000334411586 535235718 /nfs/dbraw/zinc/23/57/18/535235718.db2.gz NHEHGUMHHMWSHQ-SNVBAGLBSA-N 1 2 214.309 0.431 20 0 BCADLO CC(C)[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000334411586 535235725 /nfs/dbraw/zinc/23/57/25/535235725.db2.gz NHEHGUMHHMWSHQ-SNVBAGLBSA-N 1 2 214.309 0.431 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000191947939 353523337 /nfs/dbraw/zinc/52/33/37/353523337.db2.gz YPIFECRAQUMLNG-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000191947939 353523339 /nfs/dbraw/zinc/52/33/39/353523339.db2.gz YPIFECRAQUMLNG-LLVKDONJSA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000191947948 353523682 /nfs/dbraw/zinc/52/36/82/353523682.db2.gz YPIFECRAQUMLNG-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000191947948 353523684 /nfs/dbraw/zinc/52/36/84/353523684.db2.gz YPIFECRAQUMLNG-NSHDSACASA-N 1 2 234.303 0.577 20 0 BCADLO C[C@H](O)CC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192042203 353533938 /nfs/dbraw/zinc/53/39/38/353533938.db2.gz UDXFVISBRHPGSQ-IUCAKERBSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192042203 353533943 /nfs/dbraw/zinc/53/39/43/353533943.db2.gz UDXFVISBRHPGSQ-IUCAKERBSA-N 1 2 239.323 0.772 20 0 BCADLO Cc1noc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)n1 ZINC000639097206 353495995 /nfs/dbraw/zinc/49/59/95/353495995.db2.gz JCWNVQBFOMTMST-YUMQZZPRSA-N 1 2 236.279 0.709 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)n1 ZINC000639097204 353496201 /nfs/dbraw/zinc/49/62/01/353496201.db2.gz JCWNVQBFOMTMST-JGVFFNPUSA-N 1 2 236.279 0.709 20 0 BCADLO NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192972173 353576527 /nfs/dbraw/zinc/57/65/27/353576527.db2.gz YOQWZUVZPZLHSY-UHFFFAOYSA-N 1 2 236.275 0.087 20 0 BCADLO COC[C@@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000193204181 353576957 /nfs/dbraw/zinc/57/69/57/353576957.db2.gz HELBBJZYLOGEFI-SNVBAGLBSA-N 1 2 240.307 0.559 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1csnn1 ZINC000521190155 324179233 /nfs/dbraw/zinc/17/92/33/324179233.db2.gz MJPCHVSCJZSCGN-UHFFFAOYSA-N 1 2 223.261 0.165 20 0 BCADLO Cn1nnc(CN2CCC(n3cc[nH+]c3)CC2)n1 ZINC000194443444 353662747 /nfs/dbraw/zinc/66/27/47/353662747.db2.gz QIXUZJLLJNZUTJ-UHFFFAOYSA-N 1 2 247.306 0.244 20 0 BCADLO C[C@H](CC(=O)N1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000577876817 366095354 /nfs/dbraw/zinc/09/53/54/366095354.db2.gz HSPSCHPNPGRSGX-ZJUUUORDSA-N 1 2 223.276 0.427 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000577929471 366106496 /nfs/dbraw/zinc/10/64/96/366106496.db2.gz LQUVSWCDUOFCAL-VHSXEESVSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000577929471 366106499 /nfs/dbraw/zinc/10/64/99/366106499.db2.gz LQUVSWCDUOFCAL-VHSXEESVSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1csc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000577929470 366106587 /nfs/dbraw/zinc/10/65/87/366106587.db2.gz LQUVSWCDUOFCAL-UWVGGRQHSA-N 1 2 242.344 0.627 20 0 BCADLO Cc1csc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000577929470 366106591 /nfs/dbraw/zinc/10/65/91/366106591.db2.gz LQUVSWCDUOFCAL-UWVGGRQHSA-N 1 2 242.344 0.627 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639121705 353772002 /nfs/dbraw/zinc/77/20/02/353772002.db2.gz VRKJBFLROURHLI-OCAPTIKFSA-N 1 2 244.316 0.910 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639121705 353772005 /nfs/dbraw/zinc/77/20/05/353772005.db2.gz VRKJBFLROURHLI-OCAPTIKFSA-N 1 2 244.316 0.910 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCN(C)C(=O)C1 ZINC000580345448 353778256 /nfs/dbraw/zinc/77/82/56/353778256.db2.gz JBABMRJRSQRRIT-UHFFFAOYSA-N 1 2 220.276 0.372 20 0 BCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1CC1 ZINC000348492851 366115767 /nfs/dbraw/zinc/11/57/67/366115767.db2.gz KJDBZQKQWNNSQG-VIFPVBQESA-N 1 2 234.259 0.283 20 0 BCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1CC1 ZINC000348492851 366115778 /nfs/dbraw/zinc/11/57/78/366115778.db2.gz KJDBZQKQWNNSQG-VIFPVBQESA-N 1 2 234.259 0.283 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000053148119 353841153 /nfs/dbraw/zinc/84/11/53/353841153.db2.gz GTFJEEDZEKMHAZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000053148119 353841154 /nfs/dbraw/zinc/84/11/54/353841154.db2.gz GTFJEEDZEKMHAZ-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)N1CCCCCC1 ZINC000053147977 353841222 /nfs/dbraw/zinc/84/12/22/353841222.db2.gz CPUWWSZPQIFIQX-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000053147977 353841224 /nfs/dbraw/zinc/84/12/24/353841224.db2.gz CPUWWSZPQIFIQX-UHFFFAOYSA-N 1 2 241.335 0.067 20 0 BCADLO CCn1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000412484079 191289207 /nfs/dbraw/zinc/28/92/07/191289207.db2.gz KCYWSRMBMADNAJ-UHFFFAOYSA-N 1 2 233.275 0.865 20 0 BCADLO COC(=O)C[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000343641040 353951098 /nfs/dbraw/zinc/95/10/98/353951098.db2.gz QPIYGAGQGOHGMN-MRVPVSSYSA-N 1 2 239.275 0.567 20 0 BCADLO CC(C)(C)[C@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000343703782 353967346 /nfs/dbraw/zinc/96/73/46/353967346.db2.gz ZVBDKHNPGHQJAQ-MRVPVSSYSA-N 1 2 240.307 0.206 20 0 BCADLO CC(C)(C)[C@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000343703782 353967348 /nfs/dbraw/zinc/96/73/48/353967348.db2.gz ZVBDKHNPGHQJAQ-MRVPVSSYSA-N 1 2 240.307 0.206 20 0 BCADLO COCc1noc([C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000343705379 353967587 /nfs/dbraw/zinc/96/75/87/353967587.db2.gz FQHSUQXTJNRHNC-CIUDSAMLSA-N 1 2 241.291 0.590 20 0 BCADLO COCc1noc([C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000343705379 353967589 /nfs/dbraw/zinc/96/75/89/353967589.db2.gz FQHSUQXTJNRHNC-CIUDSAMLSA-N 1 2 241.291 0.590 20 0 BCADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2CO)nc1 ZINC000343708852 353968107 /nfs/dbraw/zinc/96/81/07/353968107.db2.gz JWVUZHMYXCGCDD-JTQLQIEISA-N 1 2 239.344 0.695 20 0 BCADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2CO)nc1 ZINC000343708852 353968111 /nfs/dbraw/zinc/96/81/11/353968111.db2.gz JWVUZHMYXCGCDD-JTQLQIEISA-N 1 2 239.344 0.695 20 0 BCADLO C[C@H]1C[N@H+](CCN2CCNC2=O)[C@@H](C)CN1C ZINC000343710399 353968920 /nfs/dbraw/zinc/96/89/20/353968920.db2.gz LIVISEHXHHARDQ-QWRGUYRKSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)[C@@H](C)CN1C ZINC000343710399 353968921 /nfs/dbraw/zinc/96/89/21/353968921.db2.gz LIVISEHXHHARDQ-QWRGUYRKSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)[C@H](C)CN1C ZINC000343710393 353969090 /nfs/dbraw/zinc/96/90/90/353969090.db2.gz LIVISEHXHHARDQ-GHMZBOCLSA-N 1 2 240.351 0.036 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)[C@H](C)CN1C ZINC000343710393 353969093 /nfs/dbraw/zinc/96/90/93/353969093.db2.gz LIVISEHXHHARDQ-GHMZBOCLSA-N 1 2 240.351 0.036 20 0 BCADLO CO[C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343876865 354030238 /nfs/dbraw/zinc/03/02/38/354030238.db2.gz ZIPIXZFPIQRFLJ-GHMZBOCLSA-N 1 2 244.335 0.200 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000344030028 354092743 /nfs/dbraw/zinc/09/27/43/354092743.db2.gz BPDLRGJVUCCWDR-JTQLQIEISA-N 1 2 246.376 0.263 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000344030028 354092746 /nfs/dbraw/zinc/09/27/46/354092746.db2.gz BPDLRGJVUCCWDR-JTQLQIEISA-N 1 2 246.376 0.263 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1CSC1 ZINC000630087121 363335919 /nfs/dbraw/zinc/33/59/19/363335919.db2.gz AUPWXUVTABTARV-SNVBAGLBSA-N 1 2 244.360 0.186 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1CSC1 ZINC000630087121 363335925 /nfs/dbraw/zinc/33/59/25/363335925.db2.gz AUPWXUVTABTARV-SNVBAGLBSA-N 1 2 244.360 0.186 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000231041092 363336610 /nfs/dbraw/zinc/33/66/10/363336610.db2.gz FRPLXDWSHYSRRM-ZJUUUORDSA-N 1 2 217.309 0.935 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cncnc1 ZINC000230894333 363327287 /nfs/dbraw/zinc/32/72/87/363327287.db2.gz NJRBFSDKVHHEIV-UHFFFAOYSA-N 1 2 203.205 0.130 20 0 BCADLO Cn1nnc(C[N@@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000344152807 354156899 /nfs/dbraw/zinc/15/68/99/354156899.db2.gz WXIMDILCEDVIPP-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO Cn1nnc(C[N@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000344152807 354156901 /nfs/dbraw/zinc/15/69/01/354156901.db2.gz WXIMDILCEDVIPP-JTQLQIEISA-N 1 2 221.308 0.832 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344262354 354192891 /nfs/dbraw/zinc/19/28/91/354192891.db2.gz RAVYVHBSLLFPKD-KWQFWETISA-N 1 2 237.303 0.808 20 0 BCADLO CC[C@H](OC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344262354 354192895 /nfs/dbraw/zinc/19/28/95/354192895.db2.gz RAVYVHBSLLFPKD-KWQFWETISA-N 1 2 237.303 0.808 20 0 BCADLO C[C@@H](O)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000344304841 354214987 /nfs/dbraw/zinc/21/49/87/354214987.db2.gz AXCZDZYMVKRPKW-SSDOTTSWSA-N 1 2 248.286 0.948 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccnn1 ZINC000627143565 363361290 /nfs/dbraw/zinc/36/12/90/363361290.db2.gz RFSYLXQJHZQUJC-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccns1 ZINC000639178466 354254279 /nfs/dbraw/zinc/25/42/79/354254279.db2.gz JINIWDLIWWZHMY-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccns1 ZINC000639178466 354254280 /nfs/dbraw/zinc/25/42/80/354254280.db2.gz JINIWDLIWWZHMY-QMMMGPOBSA-N 1 2 225.317 0.854 20 0 BCADLO CCOC1CC([NH2+]CC(F)(F)CO)C1 ZINC000231792373 363354236 /nfs/dbraw/zinc/35/42/36/363354236.db2.gz YRXSDIFFHLNDGO-UHFFFAOYSA-N 1 2 209.236 0.771 20 0 BCADLO C[C@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCO[C@H]1C1CC1 ZINC000344336621 354232109 /nfs/dbraw/zinc/23/21/09/354232109.db2.gz MUKMMLSXMSTPEC-ONGXEEELSA-N 1 2 238.291 0.558 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](F)C[C@H]2C(N)=O)n1C ZINC000344509250 354291579 /nfs/dbraw/zinc/29/15/79/354291579.db2.gz GQCUFIGWHCMBRY-BDAKNGLRSA-N 1 2 240.282 0.126 20 0 BCADLO CN(C)C(=O)N1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC000334613391 354298215 /nfs/dbraw/zinc/29/82/15/354298215.db2.gz ZXEOYCRVRTURKR-UHFFFAOYSA-N 1 2 242.323 0.599 20 0 BCADLO CN(C)C(=O)N1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC000334613391 354298217 /nfs/dbraw/zinc/29/82/17/354298217.db2.gz ZXEOYCRVRTURKR-UHFFFAOYSA-N 1 2 242.323 0.599 20 0 BCADLO CCC[C@@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000344471981 354267387 /nfs/dbraw/zinc/26/73/87/354267387.db2.gz IFEYGZGONOPPRB-LBPRGKRZSA-N 1 2 239.319 0.941 20 0 BCADLO COC1(C)CN(CC(C)(C)[NH+]2CCOCC2)C1 ZINC000639179258 354270853 /nfs/dbraw/zinc/27/08/53/354270853.db2.gz CBBNQNTYWUPFIQ-UHFFFAOYSA-N 1 2 242.363 0.818 20 0 BCADLO CO[C@]1(C[N@H+](C)Cc2nncn2C)CCOC1 ZINC000639182073 354319156 /nfs/dbraw/zinc/31/91/56/354319156.db2.gz DBMTWCYRSUFBFC-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO CO[C@]1(C[N@@H+](C)Cc2nncn2C)CCOC1 ZINC000639182073 354319157 /nfs/dbraw/zinc/31/91/57/354319157.db2.gz DBMTWCYRSUFBFC-NSHDSACASA-N 1 2 240.307 0.052 20 0 BCADLO O=C1NCCCC[C@@H]1[NH2+]Cc1ccon1 ZINC000086453753 491061663 /nfs/dbraw/zinc/06/16/63/491061663.db2.gz UXVLJXZDZXZCFB-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO CCCCn1nnnc1C[N@H+](CC)[C@@H](C)CO ZINC000577996900 366166001 /nfs/dbraw/zinc/16/60/01/366166001.db2.gz HKCQEDQNWUOSRU-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CC)[C@@H](C)CO ZINC000577996900 366166003 /nfs/dbraw/zinc/16/60/03/366166003.db2.gz HKCQEDQNWUOSRU-JTQLQIEISA-N 1 2 241.339 0.676 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@@H]1C(F)F ZINC000345019918 354397251 /nfs/dbraw/zinc/39/72/51/354397251.db2.gz TZUQXHYVNYSPST-NKWVEPMBSA-N 1 2 244.245 0.873 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000334644386 354402401 /nfs/dbraw/zinc/40/24/01/354402401.db2.gz IIPJDKXIBAJREE-VIFPVBQESA-N 1 2 237.303 0.730 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000334644386 354402404 /nfs/dbraw/zinc/40/24/04/354402404.db2.gz IIPJDKXIBAJREE-VIFPVBQESA-N 1 2 237.303 0.730 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C1CC1 ZINC000334668638 354408678 /nfs/dbraw/zinc/40/86/78/354408678.db2.gz BXKYMJFIZLAVNE-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1C1CC1 ZINC000334668638 354408681 /nfs/dbraw/zinc/40/86/81/354408681.db2.gz BXKYMJFIZLAVNE-NEPJUHHUSA-N 1 2 238.331 0.718 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)O ZINC000334735040 354536136 /nfs/dbraw/zinc/53/61/36/354536136.db2.gz RWABDYATIRCYBE-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)O ZINC000334735040 354536138 /nfs/dbraw/zinc/53/61/38/354536138.db2.gz RWABDYATIRCYBE-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000334707849 354502668 /nfs/dbraw/zinc/50/26/68/354502668.db2.gz ONPLGBUPAUUYKX-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000334707849 354502673 /nfs/dbraw/zinc/50/26/73/354502673.db2.gz ONPLGBUPAUUYKX-RYUDHWBXSA-N 1 2 240.347 0.966 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000334710185 354506797 /nfs/dbraw/zinc/50/67/97/354506797.db2.gz QBKIBLVACVTWMT-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO Cc1c[nH]cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000334710185 354506798 /nfs/dbraw/zinc/50/67/98/354506798.db2.gz QBKIBLVACVTWMT-SNVBAGLBSA-N 1 2 237.303 0.384 20 0 BCADLO C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000334722081 354522461 /nfs/dbraw/zinc/52/24/61/354522461.db2.gz LGCVVMUDZVTXOS-NSHDSACASA-N 1 2 241.335 0.370 20 0 BCADLO O=C1[C@@H]([N@@H+]2CC[C@@H](F)C2)CCN1C1CC1 ZINC000334806850 354563353 /nfs/dbraw/zinc/56/33/53/354563353.db2.gz BEVBEZRUUWBXAH-SCZZXKLOSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1[C@@H]([N@H+]2CC[C@@H](F)C2)CCN1C1CC1 ZINC000334806850 354563354 /nfs/dbraw/zinc/56/33/54/354563354.db2.gz BEVBEZRUUWBXAH-SCZZXKLOSA-N 1 2 212.268 0.794 20 0 BCADLO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334815362 354573109 /nfs/dbraw/zinc/57/31/09/354573109.db2.gz XQJDJLWXTWLVTH-NWDGAFQWSA-N 1 2 238.331 0.766 20 0 BCADLO O=C1NCCC[C@@H]1[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334815362 354573111 /nfs/dbraw/zinc/57/31/11/354573111.db2.gz XQJDJLWXTWLVTH-NWDGAFQWSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)C[C@@H]1F ZINC000335091003 354626802 /nfs/dbraw/zinc/62/68/02/354626802.db2.gz OFGHRLCOLCDLTN-GZMMTYOYSA-N 1 2 223.251 0.973 20 0 BCADLO CSCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345372837 354656431 /nfs/dbraw/zinc/65/64/31/354656431.db2.gz BQIDJNYNTZRCLE-JTQLQIEISA-N 1 2 246.376 0.529 20 0 BCADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCC[N@@H+]1C ZINC000345321751 354610045 /nfs/dbraw/zinc/61/00/45/354610045.db2.gz ORFQFBYKAWFXNO-SFYZADRCSA-N 1 2 223.280 0.017 20 0 BCADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCC[N@H+]1C ZINC000345321751 354610046 /nfs/dbraw/zinc/61/00/46/354610046.db2.gz ORFQFBYKAWFXNO-SFYZADRCSA-N 1 2 223.280 0.017 20 0 BCADLO Cc1cc(F)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c(F)c1 ZINC000335109937 354696203 /nfs/dbraw/zinc/69/62/03/354696203.db2.gz LBMXIXLESVYEFJ-RYUDHWBXSA-N 1 2 243.253 0.811 20 0 BCADLO CCC1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000335110420 354696990 /nfs/dbraw/zinc/69/69/90/354696990.db2.gz AIECUFMHPKLEQJ-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccn1 ZINC000345633243 354719233 /nfs/dbraw/zinc/71/92/33/354719233.db2.gz CKEJQKVSTVAKHR-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccccn1 ZINC000345633243 354719234 /nfs/dbraw/zinc/71/92/34/354719234.db2.gz CKEJQKVSTVAKHR-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC(F)(F)CNCc1c[nH+]c(N)nc1N ZINC000639207416 354672755 /nfs/dbraw/zinc/67/27/55/354672755.db2.gz HQZVSBUCHGIZJI-UHFFFAOYSA-N 1 2 217.223 0.047 20 0 BCADLO COCC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345750592 354751264 /nfs/dbraw/zinc/75/12/64/354751264.db2.gz AESPXYISWRLWLK-JGVFFNPUSA-N 1 2 236.262 0.525 20 0 BCADLO C[C@@H]1CCN(C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000345700389 354735079 /nfs/dbraw/zinc/73/50/79/354735079.db2.gz XSFLGFPRVYMZIK-BDAKNGLRSA-N 1 2 208.265 0.845 20 0 BCADLO CCN(CCO)c1nc[nH+]c(N)c1Cl ZINC000233457917 363402092 /nfs/dbraw/zinc/40/20/92/363402092.db2.gz NHRWKXAEYFYDMQ-UHFFFAOYSA-N 1 2 216.672 0.531 20 0 BCADLO CCN(CCO)c1[nH+]cnc(N)c1Cl ZINC000233457917 363402094 /nfs/dbraw/zinc/40/20/94/363402094.db2.gz NHRWKXAEYFYDMQ-UHFFFAOYSA-N 1 2 216.672 0.531 20 0 BCADLO CCC(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000232859009 363387103 /nfs/dbraw/zinc/38/71/03/363387103.db2.gz AZZBXLVUDDFUNY-VIFPVBQESA-N 1 2 212.293 0.566 20 0 BCADLO CCC(=O)CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000232859009 363387109 /nfs/dbraw/zinc/38/71/09/363387109.db2.gz AZZBXLVUDDFUNY-VIFPVBQESA-N 1 2 212.293 0.566 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000346031244 354832008 /nfs/dbraw/zinc/83/20/08/354832008.db2.gz MNAGSMGWIOSLTK-LLVKDONJSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000346031244 354832013 /nfs/dbraw/zinc/83/20/13/354832013.db2.gz MNAGSMGWIOSLTK-LLVKDONJSA-N 1 2 245.319 0.410 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000345882116 354795885 /nfs/dbraw/zinc/79/58/85/354795885.db2.gz IELGXQLOHBQJEW-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000345882116 354795889 /nfs/dbraw/zinc/79/58/89/354795889.db2.gz IELGXQLOHBQJEW-IUCAKERBSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](CO)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000345882118 354796012 /nfs/dbraw/zinc/79/60/12/354796012.db2.gz IELGXQLOHBQJEW-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CC[C@H](CO)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000345882118 354796016 /nfs/dbraw/zinc/79/60/16/354796016.db2.gz IELGXQLOHBQJEW-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346348064 354887702 /nfs/dbraw/zinc/88/77/02/354887702.db2.gz BJMYDEUFWWRRTM-UWVGGRQHSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346348064 354887704 /nfs/dbraw/zinc/88/77/04/354887704.db2.gz BJMYDEUFWWRRTM-UWVGGRQHSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000346349285 354887777 /nfs/dbraw/zinc/88/77/77/354887777.db2.gz BJMYDEUFWWRRTM-ZJUUUORDSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000346349285 354887779 /nfs/dbraw/zinc/88/77/79/354887779.db2.gz BJMYDEUFWWRRTM-ZJUUUORDSA-N 1 2 232.299 0.258 20 0 BCADLO CC(C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335163178 354917100 /nfs/dbraw/zinc/91/71/00/354917100.db2.gz BYHIVRKWBJSAEJ-QMMMGPOBSA-N 1 2 222.292 0.975 20 0 BCADLO CC(C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335163178 354917101 /nfs/dbraw/zinc/91/71/01/354917101.db2.gz BYHIVRKWBJSAEJ-QMMMGPOBSA-N 1 2 222.292 0.975 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000346382357 354905669 /nfs/dbraw/zinc/90/56/69/354905669.db2.gz USSSVXMGLLNCEE-DTWKUNHWSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000346382357 354905671 /nfs/dbraw/zinc/90/56/71/354905671.db2.gz USSSVXMGLLNCEE-DTWKUNHWSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[C@H](C)O ZINC000346382360 354906039 /nfs/dbraw/zinc/90/60/39/354906039.db2.gz USSSVXMGLLNCEE-IUCAKERBSA-N 1 2 239.319 0.784 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)C[C@H](C)O ZINC000346382360 354906044 /nfs/dbraw/zinc/90/60/44/354906044.db2.gz USSSVXMGLLNCEE-IUCAKERBSA-N 1 2 239.319 0.784 20 0 BCADLO COC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000234775138 363430264 /nfs/dbraw/zinc/43/02/64/363430264.db2.gz WLEZHWWDHZSPEZ-SFYZADRCSA-N 1 2 201.266 0.563 20 0 BCADLO COC[C@H](C)OC[C@H](O)Cn1cc[nH+]c1 ZINC000234880670 363434084 /nfs/dbraw/zinc/43/40/84/363434084.db2.gz CSQGPQLSDBSMCK-VHSXEESVSA-N 1 2 214.265 0.296 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000234875267 363434917 /nfs/dbraw/zinc/43/49/17/363434917.db2.gz DRMAZIDGKFQBOF-ZCFIWIBFSA-N 1 2 236.724 0.893 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000346438149 354936657 /nfs/dbraw/zinc/93/66/57/354936657.db2.gz ODDITIZHRCTGFM-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000346438149 354936660 /nfs/dbraw/zinc/93/66/60/354936660.db2.gz ODDITIZHRCTGFM-UHFFFAOYSA-N 1 2 221.304 0.958 20 0 BCADLO CC(=O)CCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000351988711 134026317 /nfs/dbraw/zinc/02/63/17/134026317.db2.gz KVQJNASHKJNLKX-UHFFFAOYSA-N 1 2 223.276 0.828 20 0 BCADLO C[C@H]([NH2+]CCN1CCCCC1)c1nncn1C ZINC000346548191 354983490 /nfs/dbraw/zinc/98/34/90/354983490.db2.gz RQURISYZMIGBNK-NSHDSACASA-N 1 2 237.351 0.952 20 0 BCADLO COC[C@@](C)([NH2+]CCC(C)(C)OC)C(=O)OC ZINC000346551642 354984841 /nfs/dbraw/zinc/98/48/41/354984841.db2.gz KGOYXOCYPLDDCZ-GFCCVEGCSA-N 1 2 247.335 0.969 20 0 BCADLO COC(=O)[C@]1([NH2+]CC[C@H]2CCCO2)CCOC1 ZINC000346576620 354999366 /nfs/dbraw/zinc/99/93/66/354999366.db2.gz SNSZTSNGJGWLQP-PWSUYJOCSA-N 1 2 243.303 0.477 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335196559 355029677 /nfs/dbraw/zinc/02/96/77/355029677.db2.gz PWXAHFDDZSRIQB-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335196559 355029683 /nfs/dbraw/zinc/02/96/83/355029683.db2.gz PWXAHFDDZSRIQB-NSHDSACASA-N 1 2 226.320 0.576 20 0 BCADLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000335966089 134028116 /nfs/dbraw/zinc/02/81/16/134028116.db2.gz MQXLYIFTCNOHET-GHMZBOCLSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H](C)[S@@]1=O ZINC000335205750 355041163 /nfs/dbraw/zinc/04/11/63/355041163.db2.gz IDEPEFRSPPHKEO-CULMDFNYSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[N@H+](CCn2cccn2)C[C@H](C)[S@@]1=O ZINC000335205750 355041165 /nfs/dbraw/zinc/04/11/65/355041165.db2.gz IDEPEFRSPPHKEO-CULMDFNYSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1C[NH+](CCn2cccn2)C[C@@H](C)S1=O ZINC000335205751 355041334 /nfs/dbraw/zinc/04/13/34/355041334.db2.gz IDEPEFRSPPHKEO-GHMZBOCLSA-N 1 2 241.360 0.724 20 0 BCADLO CC(C)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000335966089 134028117 /nfs/dbraw/zinc/02/81/17/134028117.db2.gz MQXLYIFTCNOHET-GHMZBOCLSA-N 1 2 226.320 0.574 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335207540 355043696 /nfs/dbraw/zinc/04/36/96/355043696.db2.gz WDIXIOMLOXQTJG-BDAKNGLRSA-N 1 2 215.272 0.444 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335207540 355043700 /nfs/dbraw/zinc/04/37/00/355043700.db2.gz WDIXIOMLOXQTJG-BDAKNGLRSA-N 1 2 215.272 0.444 20 0 BCADLO CC[N@H+](CCOC)[C@@H](C)c1nncn1C ZINC000346820906 355124942 /nfs/dbraw/zinc/12/49/42/355124942.db2.gz IVNYNPDGEDMMNC-VIFPVBQESA-N 1 2 212.297 0.844 20 0 BCADLO CC[N@@H+](CCOC)[C@@H](C)c1nncn1C ZINC000346820906 355124944 /nfs/dbraw/zinc/12/49/44/355124944.db2.gz IVNYNPDGEDMMNC-VIFPVBQESA-N 1 2 212.297 0.844 20 0 BCADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000346860668 355118486 /nfs/dbraw/zinc/11/84/86/355118486.db2.gz XYXQVTYIGFFLQX-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000346860668 355118490 /nfs/dbraw/zinc/11/84/90/355118490.db2.gz XYXQVTYIGFFLQX-NXEZZACHSA-N 1 2 224.308 0.987 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335187758 355086875 /nfs/dbraw/zinc/08/68/75/355086875.db2.gz ZBUSYNUDSXHWHG-FVMDXXJSSA-N 1 2 241.360 0.919 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335187758 355086878 /nfs/dbraw/zinc/08/68/78/355086878.db2.gz ZBUSYNUDSXHWHG-FVMDXXJSSA-N 1 2 241.360 0.919 20 0 BCADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@H](O)C1 ZINC000346842036 355134340 /nfs/dbraw/zinc/13/43/40/355134340.db2.gz VEZLBKBCVOHMAZ-BDAKNGLRSA-N 1 2 210.281 0.333 20 0 BCADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@H](O)C1 ZINC000346842036 355134342 /nfs/dbraw/zinc/13/43/42/355134342.db2.gz VEZLBKBCVOHMAZ-BDAKNGLRSA-N 1 2 210.281 0.333 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000346842002 355134589 /nfs/dbraw/zinc/13/45/89/355134589.db2.gz USTUTKDIQZPFHI-RKDXNWHRSA-N 1 2 238.291 0.371 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000346842002 355134593 /nfs/dbraw/zinc/13/45/93/355134593.db2.gz USTUTKDIQZPFHI-RKDXNWHRSA-N 1 2 238.291 0.371 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000639232287 355213683 /nfs/dbraw/zinc/21/36/83/355213683.db2.gz GAFNZSDCMZTPOR-MRVPVSSYSA-N 1 2 211.290 0.593 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccns1 ZINC000639232287 355213684 /nfs/dbraw/zinc/21/36/84/355213684.db2.gz GAFNZSDCMZTPOR-MRVPVSSYSA-N 1 2 211.290 0.593 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1 ZINC000639232042 355213696 /nfs/dbraw/zinc/21/36/96/355213696.db2.gz ZEOJJBAXAXYDAV-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CC(=O)N1 ZINC000639232042 355213698 /nfs/dbraw/zinc/21/36/98/355213698.db2.gz ZEOJJBAXAXYDAV-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1cccn1 ZINC000346961641 355170242 /nfs/dbraw/zinc/17/02/42/355170242.db2.gz INXTYGYFURRQQQ-GDLVEWKHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1cccn1 ZINC000346961641 355170244 /nfs/dbraw/zinc/17/02/44/355170244.db2.gz INXTYGYFURRQQQ-GDLVEWKHSA-N 1 2 241.360 0.724 20 0 BCADLO C[C@@H](c1nncn1C)[N@@H+]1CCOC[C@H](C)C1 ZINC000346995284 355193758 /nfs/dbraw/zinc/19/37/58/355193758.db2.gz XCSRCOXAOYBKLZ-ZJUUUORDSA-N 1 2 224.308 0.844 20 0 BCADLO C[C@@H](c1nncn1C)[N@H+]1CCOC[C@H](C)C1 ZINC000346995284 355193761 /nfs/dbraw/zinc/19/37/61/355193761.db2.gz XCSRCOXAOYBKLZ-ZJUUUORDSA-N 1 2 224.308 0.844 20 0 BCADLO CO[C@H](C[NH+]1CC(S(C)(=O)=O)C1)C1CC1 ZINC000639244281 355230616 /nfs/dbraw/zinc/23/06/16/355230616.db2.gz MTVWEVMXFSAQGE-SNVBAGLBSA-N 1 2 233.333 0.140 20 0 BCADLO CCN(CCO)c1cc(NC2CC2)[nH+]cn1 ZINC000413022004 191342218 /nfs/dbraw/zinc/34/22/18/191342218.db2.gz CDUGSZNZUJQKFD-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CCN(CCO)c1cc(NC2CC2)nc[nH+]1 ZINC000413022004 191342220 /nfs/dbraw/zinc/34/22/20/191342220.db2.gz CDUGSZNZUJQKFD-UHFFFAOYSA-N 1 2 222.292 0.870 20 0 BCADLO CCCNC(=O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413023250 191343930 /nfs/dbraw/zinc/34/39/30/191343930.db2.gz AHLGEGTVPQETCS-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO CCCNC(=O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413023250 191343933 /nfs/dbraw/zinc/34/39/33/191343933.db2.gz AHLGEGTVPQETCS-UHFFFAOYSA-N 1 2 249.318 0.989 20 0 BCADLO COC[C@H]([NH2+]CC(=O)N1CCC1)c1ccco1 ZINC000347639687 355245096 /nfs/dbraw/zinc/24/50/96/355245096.db2.gz RLEOQUSKWYTHIG-JTQLQIEISA-N 1 2 238.287 0.789 20 0 BCADLO COCC[N@H+](CC[C@H](C)F)CC(=O)OC ZINC000352015424 134035675 /nfs/dbraw/zinc/03/56/75/134035675.db2.gz QLCRVUWBSRXNHF-VIFPVBQESA-N 1 2 221.272 0.856 20 0 BCADLO COCC[N@@H+](CC[C@H](C)F)CC(=O)OC ZINC000352015424 134035676 /nfs/dbraw/zinc/03/56/76/134035676.db2.gz QLCRVUWBSRXNHF-VIFPVBQESA-N 1 2 221.272 0.856 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000352007470 134034976 /nfs/dbraw/zinc/03/49/76/134034976.db2.gz XUIIRMYCFCSXBH-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000352007470 134034977 /nfs/dbraw/zinc/03/49/77/134034977.db2.gz XUIIRMYCFCSXBH-LBPRGKRZSA-N 1 2 237.303 0.632 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413027865 191352688 /nfs/dbraw/zinc/35/26/88/191352688.db2.gz BPZFENCOPRZVDK-MRVPVSSYSA-N 1 2 249.318 0.987 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413027865 191352690 /nfs/dbraw/zinc/35/26/90/191352690.db2.gz BPZFENCOPRZVDK-MRVPVSSYSA-N 1 2 249.318 0.987 20 0 BCADLO Cc1nc(N2CCO[C@H](CF)C2)cc[nH+]1 ZINC000413478728 191386718 /nfs/dbraw/zinc/38/67/18/191386718.db2.gz RVWSFJXFHAFEOR-SECBINFHSA-N 1 2 211.240 0.960 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000413491996 191388511 /nfs/dbraw/zinc/38/85/11/191388511.db2.gz IRBCLJMKSVFWRV-NXEZZACHSA-N 1 2 225.292 0.719 20 0 BCADLO Cn1cnnc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000347680110 355265978 /nfs/dbraw/zinc/26/59/78/355265978.db2.gz XEUXXKCVHIVIKD-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cnnc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000347680110 355265981 /nfs/dbraw/zinc/26/59/81/355265981.db2.gz XEUXXKCVHIVIKD-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCCO)[C@H]1CCCOC1 ZINC000347603558 355253773 /nfs/dbraw/zinc/25/37/73/355253773.db2.gz DKKGJJALQCVBNE-WDEREUQCSA-N 1 2 245.319 0.317 20 0 BCADLO CC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C(=O)NC ZINC000413325938 191368102 /nfs/dbraw/zinc/36/81/02/191368102.db2.gz VBUGZDUCNAKKFM-SECBINFHSA-N 1 2 249.318 0.987 20 0 BCADLO CC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C(=O)NC ZINC000413325938 191368104 /nfs/dbraw/zinc/36/81/04/191368104.db2.gz VBUGZDUCNAKKFM-SECBINFHSA-N 1 2 249.318 0.987 20 0 BCADLO COCCn1cc(C[NH+]2CC(C)(O)C2)cn1 ZINC000639253717 355292243 /nfs/dbraw/zinc/29/22/43/355292243.db2.gz OQZRXGVFAYZGTP-UHFFFAOYSA-N 1 2 225.292 0.096 20 0 BCADLO CN(C)c1ncc(C[NH+]2CC(C)(O)C2)s1 ZINC000639254535 355295524 /nfs/dbraw/zinc/29/55/24/355295524.db2.gz YRIYJFZZQGFAIC-UHFFFAOYSA-N 1 2 227.333 0.776 20 0 BCADLO COC[C@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000639251671 355284777 /nfs/dbraw/zinc/28/47/77/355284777.db2.gz CLPNLUXIACGIEB-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000639251671 355284779 /nfs/dbraw/zinc/28/47/79/355284779.db2.gz CLPNLUXIACGIEB-SNVBAGLBSA-N 1 2 224.308 0.816 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2ncc(C)o2)C1 ZINC000639251935 355285589 /nfs/dbraw/zinc/28/55/89/355285589.db2.gz YEDIBDWFCZYRPM-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO COc1ncc(C[N@H+](C)CCNC(C)=O)s1 ZINC000639285787 355392169 /nfs/dbraw/zinc/39/21/69/355392169.db2.gz QBSDJFGRGDIGRH-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO COc1ncc(C[N@@H+](C)CCNC(C)=O)s1 ZINC000639285787 355392170 /nfs/dbraw/zinc/39/21/70/355392170.db2.gz QBSDJFGRGDIGRH-UHFFFAOYSA-N 1 2 243.332 0.720 20 0 BCADLO CN(Cc1ccnn1C)C(=O)CCn1cc[nH+]c1 ZINC000349237732 355372992 /nfs/dbraw/zinc/37/29/92/355372992.db2.gz APQAFHHLWLPCFX-UHFFFAOYSA-N 1 2 247.302 0.665 20 0 BCADLO Cc1cnc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)o1 ZINC000639278630 355362269 /nfs/dbraw/zinc/36/22/69/355362269.db2.gz OGCUAXGXUBFJBK-MRVPVSSYSA-N 1 2 237.259 0.220 20 0 BCADLO C[C@@H]1CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000349680961 355410220 /nfs/dbraw/zinc/41/02/20/355410220.db2.gz TURGEAXTMIBKNS-MNOVXSKESA-N 1 2 241.335 0.416 20 0 BCADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3CC3)C[C@@H]21 ZINC000335783895 355432363 /nfs/dbraw/zinc/43/23/63/355432363.db2.gz VWNQLWHYBWTXED-QWRGUYRKSA-N 1 2 239.319 0.121 20 0 BCADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCC3CC3)C[C@@H]21 ZINC000335783895 355432364 /nfs/dbraw/zinc/43/23/64/355432364.db2.gz VWNQLWHYBWTXED-QWRGUYRKSA-N 1 2 239.319 0.121 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cccnc2)c[nH+]1 ZINC000204837463 355398193 /nfs/dbraw/zinc/39/81/93/355398193.db2.gz OKEHHZLNOXBGTR-UHFFFAOYSA-N 1 2 243.270 0.692 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC3(CCC3)C2)nc1=O ZINC000335811133 355496218 /nfs/dbraw/zinc/49/62/18/355496218.db2.gz ZPBNJXQIWNWYJO-UHFFFAOYSA-N 1 2 222.292 0.484 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC3(CCC3)C2)nc1=O ZINC000335811133 355496221 /nfs/dbraw/zinc/49/62/21/355496221.db2.gz ZPBNJXQIWNWYJO-UHFFFAOYSA-N 1 2 222.292 0.484 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCC1 ZINC000335815887 355505146 /nfs/dbraw/zinc/50/51/46/355505146.db2.gz BTPKSXCBDLBWDN-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCC1 ZINC000335815887 355505150 /nfs/dbraw/zinc/50/51/50/355505150.db2.gz BTPKSXCBDLBWDN-ZJUUUORDSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000335996808 134042599 /nfs/dbraw/zinc/04/25/99/134042599.db2.gz PFUMLIDHMRPYEU-GZMMTYOYSA-N 1 2 209.293 0.921 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000335996808 134042600 /nfs/dbraw/zinc/04/26/00/134042600.db2.gz PFUMLIDHMRPYEU-GZMMTYOYSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@H]([NH2+]CCC1(O)CCOCC1)C(=O)OC ZINC000349966982 355546313 /nfs/dbraw/zinc/54/63/13/355546313.db2.gz BHQPUBKNHJVWIY-JTQLQIEISA-N 1 2 245.319 0.459 20 0 BCADLO Cc1cccc2[nH+]cc(CN(C)CC(N)=O)n21 ZINC000349871235 355514007 /nfs/dbraw/zinc/51/40/07/355514007.db2.gz DRKNHOUVNRBGFI-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1cccc2ncc(C[N@H+](C)CC(N)=O)n21 ZINC000349871235 355514009 /nfs/dbraw/zinc/51/40/09/355514009.db2.gz DRKNHOUVNRBGFI-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO Cc1cccc2ncc(C[N@@H+](C)CC(N)=O)n21 ZINC000349871235 355514013 /nfs/dbraw/zinc/51/40/13/355514013.db2.gz DRKNHOUVNRBGFI-UHFFFAOYSA-N 1 2 232.287 0.560 20 0 BCADLO NC(=O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000330386561 181201100 /nfs/dbraw/zinc/20/11/00/181201100.db2.gz AIQREWPQDKSOPH-SECBINFHSA-N 1 2 248.286 0.702 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000350227936 355653170 /nfs/dbraw/zinc/65/31/70/355653170.db2.gz SJUAKUMTIBRVHV-DTWKUNHWSA-N 1 2 247.245 0.206 20 0 BCADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000350227936 355653172 /nfs/dbraw/zinc/65/31/72/355653172.db2.gz SJUAKUMTIBRVHV-DTWKUNHWSA-N 1 2 247.245 0.206 20 0 BCADLO CCC[C@H](C[NH2+]Cc1nc(COC)n[nH]1)OC ZINC000639308998 355664586 /nfs/dbraw/zinc/66/45/86/355664586.db2.gz JDMATSKMWSXTGD-SECBINFHSA-N 1 2 242.323 0.856 20 0 BCADLO CCC[C@H](C[NH2+]Cc1nnc(COC)[nH]1)OC ZINC000639308998 355664590 /nfs/dbraw/zinc/66/45/90/355664590.db2.gz JDMATSKMWSXTGD-SECBINFHSA-N 1 2 242.323 0.856 20 0 BCADLO NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000331079798 181204488 /nfs/dbraw/zinc/20/44/88/181204488.db2.gz YLKNDYOJUSBJDT-UHFFFAOYSA-N 1 2 239.279 0.120 20 0 BCADLO C[C@H](CF)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000350475180 355711216 /nfs/dbraw/zinc/71/12/16/355711216.db2.gz CUVLQRIPCVHJFF-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000352050590 134046961 /nfs/dbraw/zinc/04/69/61/134046961.db2.gz SDJFXUUNVRLOGX-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000352050590 134046962 /nfs/dbraw/zinc/04/69/62/134046962.db2.gz SDJFXUUNVRLOGX-LLVKDONJSA-N 1 2 234.303 0.448 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639333952 355764007 /nfs/dbraw/zinc/76/40/07/355764007.db2.gz MSUOXZHZPWJTBM-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639333952 355764009 /nfs/dbraw/zinc/76/40/09/355764009.db2.gz MSUOXZHZPWJTBM-CYBMUJFWSA-N 1 2 235.331 0.498 20 0 BCADLO Cn1cccc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639336362 355771435 /nfs/dbraw/zinc/77/14/35/355771435.db2.gz HTXXGWCDENXBTC-GFCCVEGCSA-N 1 2 223.320 0.133 20 0 BCADLO Cn1cccc1C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639336362 355771440 /nfs/dbraw/zinc/77/14/40/355771440.db2.gz HTXXGWCDENXBTC-GFCCVEGCSA-N 1 2 223.320 0.133 20 0 BCADLO C[N@@H+]1CCN(Cc2cccs2)[C@@H](CO)C1 ZINC000639337568 355775596 /nfs/dbraw/zinc/77/55/96/355775596.db2.gz UGNCDULDMWCCLU-SNVBAGLBSA-N 1 2 226.345 0.856 20 0 BCADLO C[N@H+]1CCN(Cc2cccs2)[C@@H](CO)C1 ZINC000639337568 355775598 /nfs/dbraw/zinc/77/55/98/355775598.db2.gz UGNCDULDMWCCLU-SNVBAGLBSA-N 1 2 226.345 0.856 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000191773732 355846994 /nfs/dbraw/zinc/84/69/94/355846994.db2.gz XFBRPXXOJKEFIO-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000191773732 355846995 /nfs/dbraw/zinc/84/69/95/355846995.db2.gz XFBRPXXOJKEFIO-DTWKUNHWSA-N 1 2 228.317 0.725 20 0 BCADLO O=C(C[C@H]1CCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255024 355856529 /nfs/dbraw/zinc/85/65/29/355856529.db2.gz GACUYOFEULSPFX-GXSJLCMTSA-N 1 2 235.287 0.493 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000628368033 355862752 /nfs/dbraw/zinc/86/27/52/355862752.db2.gz IHJDVUMOAVKCOX-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000628368033 355862754 /nfs/dbraw/zinc/86/27/54/355862754.db2.gz IHJDVUMOAVKCOX-NSHDSACASA-N 1 2 225.292 0.301 20 0 BCADLO CN1C[C@@H]([N@H+](C)Cc2cocn2)CCC1=O ZINC000628368904 355865343 /nfs/dbraw/zinc/86/53/43/355865343.db2.gz FQVNKHIQQWCZRW-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CN1C[C@@H]([N@@H+](C)Cc2cocn2)CCC1=O ZINC000628368904 355865345 /nfs/dbraw/zinc/86/53/45/355865345.db2.gz FQVNKHIQQWCZRW-JTQLQIEISA-N 1 2 223.276 0.727 20 0 BCADLO CCn1cc[nH+]c1CN[C@@H](COC)C(=O)OC ZINC000530495614 491085784 /nfs/dbraw/zinc/08/57/84/491085784.db2.gz BFXXXJANRUOGJZ-VIFPVBQESA-N 1 2 241.291 0.181 20 0 BCADLO CC(C)(C)n1cc(C[NH2+]C2(C)COC2)nn1 ZINC000639380141 355916299 /nfs/dbraw/zinc/91/62/99/355916299.db2.gz AKIFNKHPJMOMJJ-UHFFFAOYSA-N 1 2 224.308 0.912 20 0 BCADLO NC(=O)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000111202265 181219909 /nfs/dbraw/zinc/21/99/09/181219909.db2.gz OYNJWZGNIYCVNW-UHFFFAOYSA-N 1 2 222.292 0.497 20 0 BCADLO OCC[NH+](CCO)Cc1ccncc1F ZINC000628370263 355880281 /nfs/dbraw/zinc/88/02/81/355880281.db2.gz HQCGLDSCECYWAT-UHFFFAOYSA-N 1 2 214.240 0.007 20 0 BCADLO Cc1cnn(C)c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256835 355981382 /nfs/dbraw/zinc/98/13/82/355981382.db2.gz WZEZFPPEBPFVIK-VIFPVBQESA-N 1 2 245.286 0.280 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H](O)C1CCC1 ZINC000623256862 355983361 /nfs/dbraw/zinc/98/33/61/355983361.db2.gz YBVPRDRDVXSPJB-KOLCDFICSA-N 1 2 235.287 0.085 20 0 BCADLO COCCc1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000351445504 355993576 /nfs/dbraw/zinc/99/35/76/355993576.db2.gz QJBVXXHVPRVKJQ-VIFPVBQESA-N 1 2 241.291 0.215 20 0 BCADLO COCCc1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000351445504 355993577 /nfs/dbraw/zinc/99/35/77/355993577.db2.gz QJBVXXHVPRVKJQ-VIFPVBQESA-N 1 2 241.291 0.215 20 0 BCADLO CCn1nccc1CC[NH+]1CCS(=O)CC1 ZINC000351493816 356001729 /nfs/dbraw/zinc/00/17/29/356001729.db2.gz PELZIZLZWFIEEK-UHFFFAOYSA-N 1 2 241.360 0.510 20 0 BCADLO CCN(C)C(=O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000351495044 356002717 /nfs/dbraw/zinc/00/27/17/356002717.db2.gz POYZZSQPQAQDES-NSHDSACASA-N 1 2 242.319 0.396 20 0 BCADLO Cc1ccc(CCC[N@@H+]2CCNC(=O)C2)cn1 ZINC000351496963 356002829 /nfs/dbraw/zinc/00/28/29/356002829.db2.gz ZIMYUKMUGAYUNX-UHFFFAOYSA-N 1 2 233.315 0.754 20 0 BCADLO Cc1ccc(CCC[N@H+]2CCNC(=O)C2)cn1 ZINC000351496963 356002848 /nfs/dbraw/zinc/00/28/48/356002848.db2.gz ZIMYUKMUGAYUNX-UHFFFAOYSA-N 1 2 233.315 0.754 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000336065036 134070147 /nfs/dbraw/zinc/07/01/47/134070147.db2.gz BCHFNYLGFAZEFT-GHMZBOCLSA-N 1 2 235.287 0.170 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000336065036 134070148 /nfs/dbraw/zinc/07/01/48/134070148.db2.gz BCHFNYLGFAZEFT-GHMZBOCLSA-N 1 2 235.287 0.170 20 0 BCADLO CC[C@](C)(CO)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256494 355960189 /nfs/dbraw/zinc/96/01/89/355960189.db2.gz MYIMOEPKNAEDOK-BXKDBHETSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1nc([C@H](C)[N@H+](C)CCC(N)=O)no1 ZINC000352115691 134072590 /nfs/dbraw/zinc/07/25/90/134072590.db2.gz NNVQBHKILCQGJU-LURJTMIESA-N 1 2 212.253 0.246 20 0 BCADLO Cc1nc([C@H](C)[N@@H+](C)CCC(N)=O)no1 ZINC000352115691 134072591 /nfs/dbraw/zinc/07/25/91/134072591.db2.gz NNVQBHKILCQGJU-LURJTMIESA-N 1 2 212.253 0.246 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccnc(C)n2)[C@@H](C)C1 ZINC000351623365 356032534 /nfs/dbraw/zinc/03/25/34/356032534.db2.gz HVNKHNUXUPBGFY-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)n2)[C@@H](C)C1 ZINC000351623365 356032540 /nfs/dbraw/zinc/03/25/40/356032540.db2.gz HVNKHNUXUPBGFY-JTQLQIEISA-N 1 2 248.330 0.838 20 0 BCADLO Cc1nccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000351657734 356046365 /nfs/dbraw/zinc/04/63/65/356046365.db2.gz FBWSCPNWQRLXNX-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO Cc1nccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000351657734 356046369 /nfs/dbraw/zinc/04/63/69/356046369.db2.gz FBWSCPNWQRLXNX-OLZOCXBDSA-N 1 2 248.330 0.300 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000351659517 356047862 /nfs/dbraw/zinc/04/78/62/356047862.db2.gz RNQSTQPLNJMWFQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC000351659517 356047867 /nfs/dbraw/zinc/04/78/67/356047867.db2.gz RNQSTQPLNJMWFQ-NSHDSACASA-N 1 2 234.303 0.495 20 0 BCADLO Cc1nccc(C[N@H+](CC(N)=O)C(C)(C)C)n1 ZINC000351697585 356061409 /nfs/dbraw/zinc/06/14/09/356061409.db2.gz WXSDFYANZVXSAO-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO Cc1nccc(C[N@@H+](CC(N)=O)C(C)(C)C)n1 ZINC000351697585 356061412 /nfs/dbraw/zinc/06/14/12/356061412.db2.gz WXSDFYANZVXSAO-UHFFFAOYSA-N 1 2 236.319 0.871 20 0 BCADLO c1snnc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000639390497 356017724 /nfs/dbraw/zinc/01/77/24/356017724.db2.gz DDKDGRCSIZZQFZ-UHFFFAOYSA-N 1 2 248.315 0.307 20 0 BCADLO NC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000374323866 181230859 /nfs/dbraw/zinc/23/08/59/181230859.db2.gz JYOCJMPPTKLHGG-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO NC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000374323866 181230860 /nfs/dbraw/zinc/23/08/60/181230860.db2.gz JYOCJMPPTKLHGG-UHFFFAOYSA-N 1 2 217.272 0.656 20 0 BCADLO CN1c2ccccc2C[N@H+](CCCO)CC1=O ZINC000623257486 356026406 /nfs/dbraw/zinc/02/64/06/356026406.db2.gz LEQYEFJNYMBASZ-UHFFFAOYSA-N 1 2 234.299 0.847 20 0 BCADLO CN1c2ccccc2C[N@@H+](CCCO)CC1=O ZINC000623257486 356026408 /nfs/dbraw/zinc/02/64/08/356026408.db2.gz LEQYEFJNYMBASZ-UHFFFAOYSA-N 1 2 234.299 0.847 20 0 BCADLO Cc1nnc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000351612330 356028118 /nfs/dbraw/zinc/02/81/18/356028118.db2.gz VOETTWYLYGUOKV-UHFFFAOYSA-N 1 2 223.261 0.500 20 0 BCADLO Cc1cnccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257800 356028875 /nfs/dbraw/zinc/02/88/75/356028875.db2.gz VKRFZJZRZFJPMX-SNVBAGLBSA-N 1 2 242.282 0.941 20 0 BCADLO Cc1cc(NC(=O)c2ncn(C)n2)cc[nH+]1 ZINC000351740304 356077188 /nfs/dbraw/zinc/07/71/88/356077188.db2.gz VFGRDAJGMXTQSO-UHFFFAOYSA-N 1 2 217.232 0.193 20 0 BCADLO CCOCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623258681 356085458 /nfs/dbraw/zinc/08/54/58/356085458.db2.gz ARTHNKTZAZBQHF-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(F)cn1 ZINC000623259018 356087505 /nfs/dbraw/zinc/08/75/05/356087505.db2.gz NKWJDJAPSYBXMB-VIFPVBQESA-N 1 2 246.245 0.772 20 0 BCADLO O=C(CCC(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259516 356089232 /nfs/dbraw/zinc/08/92/32/356089232.db2.gz BVHXRYJTNHBYBG-ZETCQYMHSA-N 1 2 229.230 0.969 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCOCC1 ZINC000623259547 356089667 /nfs/dbraw/zinc/08/96/67/356089667.db2.gz DIDUDRCKZFTFMZ-WDEREUQCSA-N 1 2 249.314 0.741 20 0 BCADLO Cc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccn1C ZINC000623260163 356097389 /nfs/dbraw/zinc/09/73/89/356097389.db2.gz WXDNOUCAXPBFOV-SNVBAGLBSA-N 1 2 244.298 0.885 20 0 BCADLO CCc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261859 356160785 /nfs/dbraw/zinc/16/07/85/356160785.db2.gz FBRQDFSUGOHARD-MRVPVSSYSA-N 1 2 246.270 0.788 20 0 BCADLO CO[C@H](C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262165 356162703 /nfs/dbraw/zinc/16/27/03/356162703.db2.gz QMJSUMLSJCWWFQ-ZJUUUORDSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1O ZINC000351907226 356179528 /nfs/dbraw/zinc/17/95/28/356179528.db2.gz LTEHVVOWXJVLBG-GXSJLCMTSA-N 1 2 245.282 0.787 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000623262444 356170368 /nfs/dbraw/zinc/17/03/68/356170368.db2.gz BRBJKAFVYGNTRI-VWYCJHECSA-N 1 2 249.314 0.739 20 0 BCADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC000623262919 356172940 /nfs/dbraw/zinc/17/29/40/356172940.db2.gz VPTXFJFYTSYZQC-MFKMUULPSA-N 1 2 249.314 0.741 20 0 BCADLO COC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351904224 356175724 /nfs/dbraw/zinc/17/57/24/356175724.db2.gz OBITZSWYPPXFNH-RMLUDKJBSA-N 1 2 219.306 0.002 20 0 BCADLO COC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351904224 356175728 /nfs/dbraw/zinc/17/57/28/356175728.db2.gz OBITZSWYPPXFNH-RMLUDKJBSA-N 1 2 219.306 0.002 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261252 356144213 /nfs/dbraw/zinc/14/42/13/356144213.db2.gz IAQJTGGKFWDDOH-JOYOIKCWSA-N 1 2 237.303 0.331 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CO1 ZINC000623261499 356152032 /nfs/dbraw/zinc/15/20/32/356152032.db2.gz UOXBGDBARPBNDP-OPRDCNLKSA-N 1 2 235.287 0.349 20 0 BCADLO FC(F)Cn1cc[nH+]c1CN1CCOCC1 ZINC000639432924 356211493 /nfs/dbraw/zinc/21/14/93/356211493.db2.gz DFCAERXZLRUQOF-UHFFFAOYSA-N 1 2 231.246 0.980 20 0 BCADLO CCN1CC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330345111 356218393 /nfs/dbraw/zinc/21/83/93/356218393.db2.gz DSYCFWHIQXQBKE-VIFPVBQESA-N 1 2 248.286 0.482 20 0 BCADLO CCC(F)(F)CN1CC[NH+](CCO)CC1 ZINC000639444543 356222196 /nfs/dbraw/zinc/22/21/96/356222196.db2.gz NDWNJTNKRFUZBS-UHFFFAOYSA-N 1 2 222.279 0.642 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)[nH]1 ZINC000332638554 356223903 /nfs/dbraw/zinc/22/39/03/356223903.db2.gz JSPJEWQVUXCEBX-JGVFFNPUSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)[nH]1 ZINC000332638554 356223905 /nfs/dbraw/zinc/22/39/05/356223905.db2.gz JSPJEWQVUXCEBX-JGVFFNPUSA-N 1 2 210.281 0.322 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C2(C)C)[nH]1 ZINC000332664197 356225471 /nfs/dbraw/zinc/22/54/71/356225471.db2.gz CHWVULPAPYKKNJ-QMMMGPOBSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)C2(C)C)[nH]1 ZINC000332664197 356225474 /nfs/dbraw/zinc/22/54/74/356225474.db2.gz CHWVULPAPYKKNJ-QMMMGPOBSA-N 1 2 224.308 0.712 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CC(F)(F)C1 ZINC000623264647 356236123 /nfs/dbraw/zinc/23/61/23/356236123.db2.gz PVGIRZVLFLLKNZ-QMMMGPOBSA-N 1 2 241.241 0.969 20 0 BCADLO NC(=O)N[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000270632181 181260145 /nfs/dbraw/zinc/26/01/45/181260145.db2.gz FXTLMPMXJMWFIP-SECBINFHSA-N 1 2 247.302 0.601 20 0 BCADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263126 356198041 /nfs/dbraw/zinc/19/80/41/356198041.db2.gz CIULSMKSOXDFJF-PSASIEDQSA-N 1 2 219.288 0.970 20 0 BCADLO Cc1nnccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263174 356198434 /nfs/dbraw/zinc/19/84/34/356198434.db2.gz FAFWMSZIISQRIO-VIFPVBQESA-N 1 2 243.270 0.336 20 0 BCADLO CCn1c[nH+]cc1[C@H]1NC(=O)CN1CC ZINC000639422217 356205811 /nfs/dbraw/zinc/20/58/11/356205811.db2.gz WXVDKAXKGWKSIU-JTQLQIEISA-N 1 2 208.265 0.353 20 0 BCADLO COCCN1C(=O)C2(CC2)[NH2+]C12CCOCC2 ZINC000639426457 356208933 /nfs/dbraw/zinc/20/89/33/356208933.db2.gz GDXYBSAEMHYMLU-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccccn1 ZINC000639477240 356272566 /nfs/dbraw/zinc/27/25/66/356272566.db2.gz ZDJTWHWBASWUNR-SECBINFHSA-N 1 2 221.260 0.087 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccccn1 ZINC000639477240 356272568 /nfs/dbraw/zinc/27/25/68/356272568.db2.gz ZDJTWHWBASWUNR-SECBINFHSA-N 1 2 221.260 0.087 20 0 BCADLO CCOCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267017 356321777 /nfs/dbraw/zinc/32/17/77/356321777.db2.gz IWVSAYSGQSFZPC-SECBINFHSA-N 1 2 223.276 0.351 20 0 BCADLO CCCCOCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265296 356293158 /nfs/dbraw/zinc/29/31/58/356293158.db2.gz BHBOKNOQIKHGFA-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000639484057 356299909 /nfs/dbraw/zinc/29/99/09/356299909.db2.gz YOBDKQMKMQKCNB-JGVFFNPUSA-N 1 2 225.210 0.963 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000639484057 356299912 /nfs/dbraw/zinc/29/99/12/356299912.db2.gz YOBDKQMKMQKCNB-JGVFFNPUSA-N 1 2 225.210 0.963 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617735754 356304037 /nfs/dbraw/zinc/30/40/37/356304037.db2.gz UACVMFZXJRZASH-OUAUKWLOSA-N 1 2 244.335 0.247 20 0 BCADLO CO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617735754 356304041 /nfs/dbraw/zinc/30/40/41/356304041.db2.gz UACVMFZXJRZASH-OUAUKWLOSA-N 1 2 244.335 0.247 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)[C@@H](C)CO1 ZINC000617745015 356306359 /nfs/dbraw/zinc/30/63/59/356306359.db2.gz DVTJBFJDVYESSM-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)[C@@H](C)CO1 ZINC000617745015 356306363 /nfs/dbraw/zinc/30/63/63/356306363.db2.gz DVTJBFJDVYESSM-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO O=C(N1CC[NH+](CCO)CC1)C1(CCF)CC1 ZINC000352162424 134090353 /nfs/dbraw/zinc/09/03/53/134090353.db2.gz MUORDACCSZNBGC-UHFFFAOYSA-N 1 2 244.310 0.263 20 0 BCADLO CN1CC[N@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639493941 356317370 /nfs/dbraw/zinc/31/73/70/356317370.db2.gz GZYXBWIQTXWTOD-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639493941 356317374 /nfs/dbraw/zinc/31/73/74/356317374.db2.gz GZYXBWIQTXWTOD-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@]1(O)CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512148 356343673 /nfs/dbraw/zinc/34/36/73/356343673.db2.gz VHRVOGVGTKZFTC-GFCCVEGCSA-N 1 2 237.303 0.979 20 0 BCADLO C[C@@]1(O)CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512148 356343676 /nfs/dbraw/zinc/34/36/76/356343676.db2.gz VHRVOGVGTKZFTC-GFCCVEGCSA-N 1 2 237.303 0.979 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000162002246 181267563 /nfs/dbraw/zinc/26/75/63/181267563.db2.gz GYPNPFVCLLJGIK-VIFPVBQESA-N 1 2 225.317 0.983 20 0 BCADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000162002246 181267564 /nfs/dbraw/zinc/26/75/64/181267564.db2.gz GYPNPFVCLLJGIK-VIFPVBQESA-N 1 2 225.317 0.983 20 0 BCADLO Cc1ocnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270474 356385299 /nfs/dbraw/zinc/38/52/99/356385299.db2.gz HGJHGNVZUOLEBM-QMMMGPOBSA-N 1 2 232.243 0.534 20 0 BCADLO CCCOCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270244 356385598 /nfs/dbraw/zinc/38/55/98/356385598.db2.gz AYKCHJQCAHVVSS-VIFPVBQESA-N 1 2 223.276 0.351 20 0 BCADLO CCO[C@@H](CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271056 356385880 /nfs/dbraw/zinc/38/58/80/356385880.db2.gz RNTYRPMMPQTYLV-KOLCDFICSA-N 1 2 237.303 0.739 20 0 BCADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)O)n1C ZINC000352185489 134097845 /nfs/dbraw/zinc/09/78/45/134097845.db2.gz CYOCPUABDRZTRV-SECBINFHSA-N 1 2 226.324 0.580 20 0 BCADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)O)n1C ZINC000352185489 134097846 /nfs/dbraw/zinc/09/78/46/134097846.db2.gz CYOCPUABDRZTRV-SECBINFHSA-N 1 2 226.324 0.580 20 0 BCADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1csnn1 ZINC000623272888 356396361 /nfs/dbraw/zinc/39/63/61/356396361.db2.gz DVVCKVBBWPEVIJ-LURJTMIESA-N 1 2 235.272 0.089 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000352668782 356400859 /nfs/dbraw/zinc/40/08/59/356400859.db2.gz UWMNMBILHLBPLN-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC000352668782 356400861 /nfs/dbraw/zinc/40/08/61/356400861.db2.gz UWMNMBILHLBPLN-MRVPVSSYSA-N 1 2 225.296 0.036 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)CC)[C@@H](C)C1 ZINC000336438256 356369568 /nfs/dbraw/zinc/36/95/68/356369568.db2.gz CREDLILKWRKACW-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)CC)[C@@H](C)C1 ZINC000336438256 356369569 /nfs/dbraw/zinc/36/95/69/356369569.db2.gz CREDLILKWRKACW-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)CN1c1[nH]c2ccccc2[nH+]1 ZINC000284621079 181274482 /nfs/dbraw/zinc/27/44/82/181274482.db2.gz RSIJBWZCQFLUNR-XCBNKYQSSA-N 1 2 248.261 0.965 20 0 BCADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000639548198 356411580 /nfs/dbraw/zinc/41/15/80/356411580.db2.gz DPVQUPHOZBZEDI-SNVBAGLBSA-N 1 2 246.318 0.631 20 0 BCADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000639548198 356411583 /nfs/dbraw/zinc/41/15/83/356411583.db2.gz DPVQUPHOZBZEDI-SNVBAGLBSA-N 1 2 246.318 0.631 20 0 BCADLO CC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000639549653 356418152 /nfs/dbraw/zinc/41/81/52/356418152.db2.gz UMQPBZRPBDCFKV-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO CC(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000639549653 356418154 /nfs/dbraw/zinc/41/81/54/356418154.db2.gz UMQPBZRPBDCFKV-UHFFFAOYSA-N 1 2 233.315 0.788 20 0 BCADLO C[C@H](C(F)(F)F)S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000420411346 192238819 /nfs/dbraw/zinc/23/88/19/192238819.db2.gz BSAOHWOXBNBZNE-NTSWFWBYSA-N 1 2 248.270 0.594 20 0 BCADLO CCc1nc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352670100 356401514 /nfs/dbraw/zinc/40/15/14/356401514.db2.gz CWPULMGRCBIBEO-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO CCc1nc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352670100 356401520 /nfs/dbraw/zinc/40/15/20/356401520.db2.gz CWPULMGRCBIBEO-BDAKNGLRSA-N 1 2 225.292 0.977 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282059 356465148 /nfs/dbraw/zinc/46/51/48/356465148.db2.gz LLJBYTKZELJTQY-MRTMQBJTSA-N 1 2 205.261 0.580 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccnc1 ZINC000623281947 356464610 /nfs/dbraw/zinc/46/46/10/356464610.db2.gz HZFVBVWHILGQTK-SNVBAGLBSA-N 1 2 228.255 0.633 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ncc[nH]1 ZINC000368965722 181276075 /nfs/dbraw/zinc/27/60/75/181276075.db2.gz VMGSKJWWYDTXJQ-QXEWZRGKSA-N 1 2 234.303 0.496 20 0 BCADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ncc[nH]1 ZINC000368965722 181276078 /nfs/dbraw/zinc/27/60/78/181276078.db2.gz VMGSKJWWYDTXJQ-QXEWZRGKSA-N 1 2 234.303 0.496 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639556542 356459238 /nfs/dbraw/zinc/45/92/38/356459238.db2.gz OOJITDVAWMHWHH-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639556542 356459241 /nfs/dbraw/zinc/45/92/41/356459241.db2.gz OOJITDVAWMHWHH-GFCCVEGCSA-N 1 2 248.330 0.620 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000190109775 356432900 /nfs/dbraw/zinc/43/29/00/356432900.db2.gz NQDXTVHDXZFHCX-MWLCHTKSSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000190109775 356432905 /nfs/dbraw/zinc/43/29/05/356432905.db2.gz NQDXTVHDXZFHCX-MWLCHTKSSA-N 1 2 212.293 0.376 20 0 BCADLO CC[N@H+](C[C@H](C)O)[C@H](C)c1nnnn1C1CC1 ZINC000352222858 134109465 /nfs/dbraw/zinc/10/94/65/134109465.db2.gz SQBDBNZKOBMLNK-DTWKUNHWSA-N 1 2 239.323 0.772 20 0 BCADLO CC[N@@H+](C[C@H](C)O)[C@H](C)c1nnnn1C1CC1 ZINC000352222858 134109466 /nfs/dbraw/zinc/10/94/66/134109466.db2.gz SQBDBNZKOBMLNK-DTWKUNHWSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000190537238 356447283 /nfs/dbraw/zinc/44/72/83/356447283.db2.gz VYMWIOCSPIGWBL-VHSXEESVSA-N 1 2 217.334 0.618 20 0 BCADLO C[C@@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000190537218 356447521 /nfs/dbraw/zinc/44/75/21/356447521.db2.gz VYMWIOCSPIGWBL-NXEZZACHSA-N 1 2 217.334 0.618 20 0 BCADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000162002110 181278997 /nfs/dbraw/zinc/27/89/97/181278997.db2.gz GYPNPFVCLLJGIK-SECBINFHSA-N 1 2 225.317 0.983 20 0 BCADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000162002110 181278999 /nfs/dbraw/zinc/27/89/99/181278999.db2.gz GYPNPFVCLLJGIK-SECBINFHSA-N 1 2 225.317 0.983 20 0 BCADLO CC(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281802 356466360 /nfs/dbraw/zinc/46/63/60/356466360.db2.gz CCLIGTZYZAHEFC-VIFPVBQESA-N 1 2 207.277 0.970 20 0 BCADLO Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000049509227 356472890 /nfs/dbraw/zinc/47/28/90/356472890.db2.gz WIXDFYRJMOPLHW-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO CCc1nc(C[N@H+](C)CCCCO)no1 ZINC000349934289 366242413 /nfs/dbraw/zinc/24/24/13/366242413.db2.gz KFCXROBISHMKDX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO CCc1nc(C[N@@H+](C)CCCCO)no1 ZINC000349934289 366242419 /nfs/dbraw/zinc/24/24/19/366242419.db2.gz KFCXROBISHMKDX-UHFFFAOYSA-N 1 2 213.281 0.836 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@H](O)C1 ZINC000336166086 134113243 /nfs/dbraw/zinc/11/32/43/134113243.db2.gz OCVUWHVJIHOTMT-SCZZXKLOSA-N 1 2 223.276 0.577 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@H](O)C1 ZINC000336166086 134113244 /nfs/dbraw/zinc/11/32/44/134113244.db2.gz OCVUWHVJIHOTMT-SCZZXKLOSA-N 1 2 223.276 0.577 20 0 BCADLO Cc1cc(NC[C@@H]2CCC(=O)N2)c(C#N)c[nH+]1 ZINC000399371687 356476974 /nfs/dbraw/zinc/47/69/74/356476974.db2.gz KSJIUWVLSJQMJI-JTQLQIEISA-N 1 2 230.271 0.374 20 0 BCADLO NC(=O)[C@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000355943297 181283387 /nfs/dbraw/zinc/28/33/87/181283387.db2.gz QVMRGYQHRFDWFS-UDSFMNFJSA-N 1 2 247.298 0.281 20 0 BCADLO NC(=O)[C@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000355943297 181283392 /nfs/dbraw/zinc/28/33/92/181283392.db2.gz QVMRGYQHRFDWFS-UDSFMNFJSA-N 1 2 247.298 0.281 20 0 BCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)=O)[C@@H]2C1 ZINC000639572772 356496210 /nfs/dbraw/zinc/49/62/10/356496210.db2.gz YEQVZBOGBCGEKG-UTUOFQBUSA-N 1 2 227.304 0.844 20 0 BCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(C)=O)[C@@H]2C1 ZINC000639572772 356496211 /nfs/dbraw/zinc/49/62/11/356496211.db2.gz YEQVZBOGBCGEKG-UTUOFQBUSA-N 1 2 227.304 0.844 20 0 BCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)=O)[C@@H]2C1 ZINC000639572770 356496219 /nfs/dbraw/zinc/49/62/19/356496219.db2.gz YEQVZBOGBCGEKG-IJLUTSLNSA-N 1 2 227.304 0.844 20 0 BCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(C)=O)[C@@H]2C1 ZINC000639572770 356496221 /nfs/dbraw/zinc/49/62/21/356496221.db2.gz YEQVZBOGBCGEKG-IJLUTSLNSA-N 1 2 227.304 0.844 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585457 356508746 /nfs/dbraw/zinc/50/87/46/356508746.db2.gz HAYMDONSEFLDFW-IUCAKERBSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000639585457 356508751 /nfs/dbraw/zinc/50/87/51/356508751.db2.gz HAYMDONSEFLDFW-IUCAKERBSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000639585457 356508756 /nfs/dbraw/zinc/50/87/56/356508756.db2.gz HAYMDONSEFLDFW-IUCAKERBSA-N 1 2 238.291 0.224 20 0 BCADLO C[C@@H]1OCC[C@H]1C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000639585457 356508760 /nfs/dbraw/zinc/50/87/60/356508760.db2.gz HAYMDONSEFLDFW-IUCAKERBSA-N 1 2 238.291 0.224 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953426 192277717 /nfs/dbraw/zinc/27/77/17/192277717.db2.gz ZNTSYZSTZGMPKE-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953426 192277718 /nfs/dbraw/zinc/27/77/18/192277718.db2.gz ZNTSYZSTZGMPKE-NSHDSACASA-N 1 2 239.319 0.392 20 0 BCADLO Cn1nccc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953425 192277847 /nfs/dbraw/zinc/27/78/47/192277847.db2.gz ZNTSYZSTZGMPKE-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO Cn1nccc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953425 192277849 /nfs/dbraw/zinc/27/78/49/192277849.db2.gz ZNTSYZSTZGMPKE-LLVKDONJSA-N 1 2 239.319 0.392 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(C)=O ZINC000639604037 356524677 /nfs/dbraw/zinc/52/46/77/356524677.db2.gz ZJHWLGSQYVJERU-LLVKDONJSA-N 1 2 212.293 0.566 20 0 BCADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(C)=O ZINC000639604037 356524678 /nfs/dbraw/zinc/52/46/78/356524678.db2.gz ZJHWLGSQYVJERU-LLVKDONJSA-N 1 2 212.293 0.566 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCc1cnccn1 ZINC000639611642 356530042 /nfs/dbraw/zinc/53/00/42/356530042.db2.gz FWCSJFIAANICTL-SNVBAGLBSA-N 1 2 207.277 0.740 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCc1cnccn1 ZINC000639611642 356530046 /nfs/dbraw/zinc/53/00/46/356530046.db2.gz FWCSJFIAANICTL-SNVBAGLBSA-N 1 2 207.277 0.740 20 0 BCADLO CC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000639596562 356516149 /nfs/dbraw/zinc/51/61/49/356516149.db2.gz UYZGUNHJLSGWJD-VIFPVBQESA-N 1 2 214.309 0.810 20 0 BCADLO CC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000639596562 356516154 /nfs/dbraw/zinc/51/61/54/356516154.db2.gz UYZGUNHJLSGWJD-VIFPVBQESA-N 1 2 214.309 0.810 20 0 BCADLO C[C@H]1CSCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336179887 134118037 /nfs/dbraw/zinc/11/80/37/134118037.db2.gz SUBOOYFZUWSCFI-ZETCQYMHSA-N 1 2 228.321 0.046 20 0 BCADLO C[C@H]1CSCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336179887 134118038 /nfs/dbraw/zinc/11/80/38/134118038.db2.gz SUBOOYFZUWSCFI-ZETCQYMHSA-N 1 2 228.321 0.046 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnccn2)CC(=O)N1C ZINC000639628870 356544933 /nfs/dbraw/zinc/54/49/33/356544933.db2.gz QGKGREHQCJNGTB-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnccn2)CC(=O)N1C ZINC000639628870 356544935 /nfs/dbraw/zinc/54/49/35/356544935.db2.gz QGKGREHQCJNGTB-SNVBAGLBSA-N 1 2 234.303 0.182 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000639619946 356534933 /nfs/dbraw/zinc/53/49/33/356534933.db2.gz JNILHEROLYVPMW-GFCCVEGCSA-N 1 2 227.304 0.845 20 0 BCADLO CC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000639619946 356534938 /nfs/dbraw/zinc/53/49/38/356534938.db2.gz JNILHEROLYVPMW-GFCCVEGCSA-N 1 2 227.304 0.845 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](CC)O1 ZINC000420937871 192288985 /nfs/dbraw/zinc/28/89/85/192288985.db2.gz AHNNVIXVPMHYKR-DTORHVGOSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](CC)O1 ZINC000420937871 192288988 /nfs/dbraw/zinc/28/89/88/192288988.db2.gz AHNNVIXVPMHYKR-DTORHVGOSA-N 1 2 243.307 0.071 20 0 BCADLO COC1CC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623296106 356540936 /nfs/dbraw/zinc/54/09/36/356540936.db2.gz AYYAPKZREKRYQW-SQLBVSGCSA-N 1 2 249.314 0.739 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000639621624 356540943 /nfs/dbraw/zinc/54/09/43/356540943.db2.gz BKOAIWIRWYEODT-MRVPVSSYSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000639621624 356540947 /nfs/dbraw/zinc/54/09/47/356540947.db2.gz BKOAIWIRWYEODT-MRVPVSSYSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000639621624 356540951 /nfs/dbraw/zinc/54/09/51/356540951.db2.gz BKOAIWIRWYEODT-MRVPVSSYSA-N 1 2 225.248 0.544 20 0 BCADLO CC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000639621624 356540954 /nfs/dbraw/zinc/54/09/54/356540954.db2.gz BKOAIWIRWYEODT-MRVPVSSYSA-N 1 2 225.248 0.544 20 0 BCADLO CC(C)[N@@H+](Cc1cscn1)C[C@H](O)CO ZINC000420995980 192294574 /nfs/dbraw/zinc/29/45/74/192294574.db2.gz IYHGMPGHHCAJGT-JTQLQIEISA-N 1 2 230.333 0.707 20 0 BCADLO CC(C)[N@H+](Cc1cscn1)C[C@H](O)CO ZINC000420995980 192294577 /nfs/dbraw/zinc/29/45/77/192294577.db2.gz IYHGMPGHHCAJGT-JTQLQIEISA-N 1 2 230.333 0.707 20 0 BCADLO CCC(F)(F)C[N@H+](CCO)C[C@H](C)O ZINC000639646981 356553473 /nfs/dbraw/zinc/55/34/73/356553473.db2.gz WONOHQFHZYIASS-QMMMGPOBSA-N 1 2 211.252 0.707 20 0 BCADLO CCC(F)(F)C[N@@H+](CCO)C[C@H](C)O ZINC000639646981 356553475 /nfs/dbraw/zinc/55/34/75/356553475.db2.gz WONOHQFHZYIASS-QMMMGPOBSA-N 1 2 211.252 0.707 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1C ZINC000639626978 356547330 /nfs/dbraw/zinc/54/73/30/356547330.db2.gz DKZDKNREVREZLE-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1C ZINC000639626978 356547331 /nfs/dbraw/zinc/54/73/31/356547331.db2.gz DKZDKNREVREZLE-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000449785376 202033964 /nfs/dbraw/zinc/03/39/64/202033964.db2.gz FYMFKNPOOAXSSB-LLVKDONJSA-N 1 2 238.335 0.217 20 0 BCADLO Cc1cn[nH]c1CN1CC[N@H+](CCO)C[C@H]1C ZINC000449785376 202033967 /nfs/dbraw/zinc/03/39/67/202033967.db2.gz FYMFKNPOOAXSSB-LLVKDONJSA-N 1 2 238.335 0.217 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cnccn1 ZINC000623297482 356549965 /nfs/dbraw/zinc/54/99/65/356549965.db2.gz FXASVANDUJXTHH-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO CCSCCN1CC[N@H+](CCO)C[C@@H]1C ZINC000449787996 202036768 /nfs/dbraw/zinc/03/67/68/202036768.db2.gz XBFDGLSKWKGXBI-NSHDSACASA-N 1 2 232.393 0.738 20 0 BCADLO CCSCCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000449787996 202036772 /nfs/dbraw/zinc/03/67/72/202036772.db2.gz XBFDGLSKWKGXBI-NSHDSACASA-N 1 2 232.393 0.738 20 0 BCADLO CCSCCN1CC[N@H+](CCO)C[C@H]1C ZINC000449787995 202037355 /nfs/dbraw/zinc/03/73/55/202037355.db2.gz XBFDGLSKWKGXBI-LLVKDONJSA-N 1 2 232.393 0.738 20 0 BCADLO CCSCCN1CC[N@@H+](CCO)C[C@H]1C ZINC000449787995 202037357 /nfs/dbraw/zinc/03/73/57/202037357.db2.gz XBFDGLSKWKGXBI-LLVKDONJSA-N 1 2 232.393 0.738 20 0 BCADLO Cc1cc(N2CC[S@@](=O)[C@@H](C)C2)nc[nH+]1 ZINC000352265288 134129095 /nfs/dbraw/zinc/12/90/95/134129095.db2.gz KPDNINIKJAPTPP-BJOHPYRUSA-N 1 2 225.317 0.742 20 0 BCADLO Cc1cc(CNC(=O)N[C@@H](C)CO)cc(C)[nH+]1 ZINC000421066835 192308125 /nfs/dbraw/zinc/30/81/25/192308125.db2.gz MDKVAZHPQCXTFK-JTQLQIEISA-N 1 2 237.303 0.878 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H](O)C1CC1 ZINC000623299731 356566108 /nfs/dbraw/zinc/56/61/08/356566108.db2.gz BSXBDMOCHQWBAY-KOLCDFICSA-N 1 2 235.287 0.085 20 0 BCADLO CC(C)OC(=O)[C@H]([NH2+]CCCO)C(C)C ZINC000238181212 363483597 /nfs/dbraw/zinc/48/35/97/363483597.db2.gz WKIKWSUHCDIKDR-SNVBAGLBSA-N 1 2 217.309 0.935 20 0 BCADLO CC(=O)CN1C[C@H](C)[N@@H+](CC(C)=O)CC1(C)C ZINC000639660830 356569890 /nfs/dbraw/zinc/56/98/90/356569890.db2.gz XIOOFGDKHLLDDZ-JTQLQIEISA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1C[C@H](C)[N@H+](CC(C)=O)CC1(C)C ZINC000639660830 356569895 /nfs/dbraw/zinc/56/98/95/356569895.db2.gz XIOOFGDKHLLDDZ-JTQLQIEISA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1CC(C)(C)[N@@H+](CC(C)=O)C[C@@H]1C ZINC000639660830 356569901 /nfs/dbraw/zinc/56/99/01/356569901.db2.gz XIOOFGDKHLLDDZ-JTQLQIEISA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)CN1CC(C)(C)[N@H+](CC(C)=O)C[C@@H]1C ZINC000639660830 356569905 /nfs/dbraw/zinc/56/99/05/356569905.db2.gz XIOOFGDKHLLDDZ-JTQLQIEISA-N 1 2 240.347 0.949 20 0 BCADLO CC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000639653317 356565134 /nfs/dbraw/zinc/56/51/34/356565134.db2.gz XOBPWJNIQDOPJB-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000639653317 356565136 /nfs/dbraw/zinc/56/51/36/356565136.db2.gz XOBPWJNIQDOPJB-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CO[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623301233 356575577 /nfs/dbraw/zinc/57/55/77/356575577.db2.gz HNLAARCLGXXGIH-PWSUYJOCSA-N 1 2 249.314 0.739 20 0 BCADLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301446 356576677 /nfs/dbraw/zinc/57/66/77/356576677.db2.gz LWZZAFUVSKBJJA-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1 ZINC000639663199 356577470 /nfs/dbraw/zinc/57/74/70/356577470.db2.gz ASRBKRPNYGSPJP-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC(=O)N1 ZINC000639663199 356577471 /nfs/dbraw/zinc/57/74/71/356577471.db2.gz ASRBKRPNYGSPJP-MRVPVSSYSA-N 1 2 221.260 0.108 20 0 BCADLO CC(=O)CN1CC[N@H+](CC(C)=O)CC(C)C1 ZINC000639664417 356578350 /nfs/dbraw/zinc/57/83/50/356578350.db2.gz GPGZQWRKUMAMJY-UHFFFAOYSA-N 1 2 226.320 0.418 20 0 BCADLO CC(=O)CN1CC[N@@H+](CC(C)=O)CC(C)C1 ZINC000639664417 356578353 /nfs/dbraw/zinc/57/83/53/356578353.db2.gz GPGZQWRKUMAMJY-UHFFFAOYSA-N 1 2 226.320 0.418 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000631995773 363501950 /nfs/dbraw/zinc/50/19/50/363501950.db2.gz NIVGNPCXKOYIHC-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000631995773 363501957 /nfs/dbraw/zinc/50/19/57/363501957.db2.gz NIVGNPCXKOYIHC-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666347 356580531 /nfs/dbraw/zinc/58/05/31/356580531.db2.gz QVDMMOLKAJLUCW-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC(=O)N1 ZINC000639666347 356580533 /nfs/dbraw/zinc/58/05/33/356580533.db2.gz QVDMMOLKAJLUCW-NXEZZACHSA-N 1 2 226.320 0.622 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000639666539 356580899 /nfs/dbraw/zinc/58/08/99/356580899.db2.gz UOUZYFIHKWKNDD-KNVOCYPGSA-N 1 2 232.230 0.236 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000639666539 356580904 /nfs/dbraw/zinc/58/09/04/356580904.db2.gz UOUZYFIHKWKNDD-KNVOCYPGSA-N 1 2 232.230 0.236 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000639670615 356586747 /nfs/dbraw/zinc/58/67/47/356586747.db2.gz MGMMOHXRVAAAAB-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000639670615 356586752 /nfs/dbraw/zinc/58/67/52/356586752.db2.gz MGMMOHXRVAAAAB-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCCO1 ZINC000623307753 356613072 /nfs/dbraw/zinc/61/30/72/356613072.db2.gz NSQPTQPQTZQTCY-PWSUYJOCSA-N 1 2 249.314 0.883 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000623307820 356613362 /nfs/dbraw/zinc/61/33/62/356613362.db2.gz ORCUDZAHCKSCIL-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO CCCOCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304213 356595095 /nfs/dbraw/zinc/59/50/95/356595095.db2.gz TWJYKPFWTJWMKL-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC(=O)N(C)C ZINC000639689026 356597082 /nfs/dbraw/zinc/59/70/82/356597082.db2.gz UXABYTQJQIKENX-KXUCPTDWSA-N 1 2 241.335 0.014 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC(=O)N(C)C ZINC000639689026 356597086 /nfs/dbraw/zinc/59/70/86/356597086.db2.gz UXABYTQJQIKENX-KXUCPTDWSA-N 1 2 241.335 0.014 20 0 BCADLO CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639689272 356598194 /nfs/dbraw/zinc/59/81/94/356598194.db2.gz YQLCPVDVIDCVNV-OPRDCNLKSA-N 1 2 241.335 0.062 20 0 BCADLO CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639689272 356598197 /nfs/dbraw/zinc/59/81/97/356598197.db2.gz YQLCPVDVIDCVNV-OPRDCNLKSA-N 1 2 241.335 0.062 20 0 BCADLO CC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000639692056 356601614 /nfs/dbraw/zinc/60/16/14/356601614.db2.gz BHGRWXUXPWSUFY-JTQLQIEISA-N 1 2 215.318 0.783 20 0 BCADLO CC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000639692056 356601617 /nfs/dbraw/zinc/60/16/17/356601617.db2.gz BHGRWXUXPWSUFY-JTQLQIEISA-N 1 2 215.318 0.783 20 0 BCADLO c1nc(N2CC[NH+](Cc3ccncc3)CC2)n[nH]1 ZINC000639730025 356623898 /nfs/dbraw/zinc/62/38/98/356623898.db2.gz DKFYAWBHAPDJGE-UHFFFAOYSA-N 1 2 244.302 0.522 20 0 BCADLO Cc1cnc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000639743148 356636091 /nfs/dbraw/zinc/63/60/91/356636091.db2.gz JLEIPSHCAXJJBM-QMMMGPOBSA-N 1 2 247.258 0.926 20 0 BCADLO C[C@H](C[N@H+](C)C[C@H]1CCCCO1)S(C)(=O)=O ZINC000450288979 202122191 /nfs/dbraw/zinc/12/21/91/202122191.db2.gz RLNOUNCLHNDDRN-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)S(C)(=O)=O ZINC000450288979 202122193 /nfs/dbraw/zinc/12/21/93/202122193.db2.gz RLNOUNCLHNDDRN-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CCOCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000450262652 202113856 /nfs/dbraw/zinc/11/38/56/202113856.db2.gz UEKFFDOSHYEGBW-UHFFFAOYSA-N 1 2 246.314 0.964 20 0 BCADLO C[C@@H](C(N)=O)[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639746366 356638695 /nfs/dbraw/zinc/63/86/95/356638695.db2.gz FASYPOIWIOOSSF-VHSXEESVSA-N 1 2 227.352 0.522 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@@H]1COCCO1 ZINC000450294368 202121419 /nfs/dbraw/zinc/12/14/19/202121419.db2.gz NALPRZOKYDSEHX-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@@H]1COCCO1 ZINC000450294368 202121423 /nfs/dbraw/zinc/12/14/23/202121423.db2.gz NALPRZOKYDSEHX-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1COCCO1 ZINC000450333348 202133084 /nfs/dbraw/zinc/13/30/84/202133084.db2.gz PUFDMEWNLWDCLY-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1COCCO1 ZINC000450333348 202133088 /nfs/dbraw/zinc/13/30/88/202133088.db2.gz PUFDMEWNLWDCLY-JTQLQIEISA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+](Cc1cnn[nH]1)C[C@H]1CCCO1 ZINC000450323117 202126307 /nfs/dbraw/zinc/12/63/07/202126307.db2.gz FJEIBUGGDNICMT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@H+](Cc1cnn[nH]1)C[C@H]1CCCO1 ZINC000450323117 202126309 /nfs/dbraw/zinc/12/63/09/202126309.db2.gz FJEIBUGGDNICMT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@@H+](Cc1c[nH]nn1)C[C@H]1CCCO1 ZINC000450323117 202126312 /nfs/dbraw/zinc/12/63/12/202126312.db2.gz FJEIBUGGDNICMT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CC[N@H+](Cc1c[nH]nn1)C[C@H]1CCCO1 ZINC000450323117 202126315 /nfs/dbraw/zinc/12/63/15/202126315.db2.gz FJEIBUGGDNICMT-SNVBAGLBSA-N 1 2 210.281 0.806 20 0 BCADLO CCc1cc(NCCCc2n[nH]c(=O)[nH]2)cc[nH+]1 ZINC000450363872 202144602 /nfs/dbraw/zinc/14/46/02/202144602.db2.gz 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NJHUVZKJYQWRDO-SNVBAGLBSA-N 1 2 232.291 0.875 20 0 BCADLO CCC(F)(F)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639779291 356726115 /nfs/dbraw/zinc/72/61/15/356726115.db2.gz BDXHKEGUZGHGNY-RKDXNWHRSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H](C[N@H+](C)CCOCC1CC1)S(C)(=O)=O ZINC000450490254 202169659 /nfs/dbraw/zinc/16/96/59/202169659.db2.gz ZBONHQJGPYTEPB-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[C@H](C[N@@H+](C)CCOCC1CC1)S(C)(=O)=O ZINC000450490254 202169661 /nfs/dbraw/zinc/16/96/61/202169661.db2.gz ZBONHQJGPYTEPB-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)NCC1CCC1 ZINC000180053858 366366747 /nfs/dbraw/zinc/36/67/47/366366747.db2.gz DHEKFNUUFOZYPH-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000542611866 325037574 /nfs/dbraw/zinc/03/75/74/325037574.db2.gz LVISEZYAKNQYQS-JGVFFNPUSA-N 1 2 240.307 0.943 20 0 BCADLO CNc1nc(NC[C@H](C)OC)[nH+]c2ccccc21 ZINC000450468767 202175391 /nfs/dbraw/zinc/17/53/91/202175391.db2.gz MXMMSQZKCDZLBZ-VIFPVBQESA-N 1 2 246.314 0.962 20 0 BCADLO O=C1COc2ccc(C[NH+]3CCOCC3)cc2N1 ZINC000114041553 356747390 /nfs/dbraw/zinc/74/73/90/356747390.db2.gz KGYYLDAMROTGQT-UHFFFAOYSA-N 1 2 248.282 0.850 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)[nH]1 ZINC000355090181 356750083 /nfs/dbraw/zinc/75/00/83/356750083.db2.gz STXKMFUYFXRSMM-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@H](C)[C@H]2CO)[nH]1 ZINC000355090181 356750084 /nfs/dbraw/zinc/75/00/84/356750084.db2.gz STXKMFUYFXRSMM-VHSXEESVSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000355089660 356750146 /nfs/dbraw/zinc/75/01/46/356750146.db2.gz RNJIUJUHBNWNBM-YUMQZZPRSA-N 1 2 210.281 0.180 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000355089660 356750148 /nfs/dbraw/zinc/75/01/48/356750148.db2.gz RNJIUJUHBNWNBM-YUMQZZPRSA-N 1 2 210.281 0.180 20 0 BCADLO CN(C)c1noc(Cc2c[nH+]cn2C)n1 ZINC000350394367 538648859 /nfs/dbraw/zinc/64/88/59/538648859.db2.gz DQSPZWUAUAFYBA-UHFFFAOYSA-N 1 2 207.237 0.460 20 0 BCADLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccccn1 ZINC000639824982 356806402 /nfs/dbraw/zinc/80/64/02/356806402.db2.gz QNPOXLMNROUCSQ-GXFFZTMASA-N 1 2 247.298 0.477 20 0 BCADLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccccn1 ZINC000639824982 356806407 /nfs/dbraw/zinc/80/64/07/356806407.db2.gz QNPOXLMNROUCSQ-GXFFZTMASA-N 1 2 247.298 0.477 20 0 BCADLO CO[C@@H]1C[N@H+](CCCN2CCCC2=O)CCO1 ZINC000639834284 356818411 /nfs/dbraw/zinc/81/84/11/356818411.db2.gz VJPUMMRUUQRGOE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)CCO1 ZINC000639834284 356818415 /nfs/dbraw/zinc/81/84/15/356818415.db2.gz VJPUMMRUUQRGOE-LBPRGKRZSA-N 1 2 242.319 0.304 20 0 BCADLO COc1cc[nH+]c(CN2CCO[C@@H](OC)C2)c1 ZINC000639833735 356820552 /nfs/dbraw/zinc/82/05/52/356820552.db2.gz RFOUSGYNIVNOHE-GFCCVEGCSA-N 1 2 238.287 0.895 20 0 BCADLO CO[C@H]1C[N@H+](CCn2cc(C)cn2)CCO1 ZINC000639834890 356824379 /nfs/dbraw/zinc/82/43/79/356824379.db2.gz YZSPGAAUUWAWAH-LLVKDONJSA-N 1 2 225.292 0.496 20 0 BCADLO CO[C@H]1C[N@@H+](CCn2cc(C)cn2)CCO1 ZINC000639834890 356824382 /nfs/dbraw/zinc/82/43/82/356824382.db2.gz YZSPGAAUUWAWAH-LLVKDONJSA-N 1 2 225.292 0.496 20 0 BCADLO CO[C@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000639835190 356825652 /nfs/dbraw/zinc/82/56/52/356825652.db2.gz BMXMPLZGEMSGID-NWDGAFQWSA-N 1 2 245.319 0.487 20 0 BCADLO CO[C@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000639835190 356825655 /nfs/dbraw/zinc/82/56/55/356825655.db2.gz BMXMPLZGEMSGID-NWDGAFQWSA-N 1 2 245.319 0.487 20 0 BCADLO CCOCC[C@@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000639835524 356825830 /nfs/dbraw/zinc/82/58/30/356825830.db2.gz CGELGVPDYAXWPP-MNOVXSKESA-N 1 2 233.308 0.079 20 0 BCADLO CCOCC[C@@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000639835524 356825833 /nfs/dbraw/zinc/82/58/33/356825833.db2.gz CGELGVPDYAXWPP-MNOVXSKESA-N 1 2 233.308 0.079 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H]1c1ncccn1)NC1CC1 ZINC000639837683 356827379 /nfs/dbraw/zinc/82/73/79/356827379.db2.gz BNKRLAFXUDXZAP-LLVKDONJSA-N 1 2 246.314 0.892 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H]1c1ncccn1)NC1CC1 ZINC000639837683 356827382 /nfs/dbraw/zinc/82/73/82/356827382.db2.gz BNKRLAFXUDXZAP-LLVKDONJSA-N 1 2 246.314 0.892 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639837231 356829374 /nfs/dbraw/zinc/82/93/74/356829374.db2.gz QDLDNJJZTYAXGT-NSHDSACASA-N 1 2 223.276 0.324 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639837231 356829377 /nfs/dbraw/zinc/82/93/77/356829377.db2.gz QDLDNJJZTYAXGT-NSHDSACASA-N 1 2 223.276 0.324 20 0 BCADLO CO[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC000639837604 356830102 /nfs/dbraw/zinc/83/01/02/356830102.db2.gz NIXHAWNQIDPCIQ-NWDGAFQWSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@@H+]([C@@H](C)CN2CCOCC2)CCO1 ZINC000639837604 356830105 /nfs/dbraw/zinc/83/01/05/356830105.db2.gz NIXHAWNQIDPCIQ-NWDGAFQWSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@H]1C[N@H+]([C@@H](C)CN2CCOCC2)CCO1 ZINC000639837604 356830108 /nfs/dbraw/zinc/83/01/08/356830108.db2.gz NIXHAWNQIDPCIQ-NWDGAFQWSA-N 1 2 244.335 0.012 20 0 BCADLO CO[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000639840784 356836017 /nfs/dbraw/zinc/83/60/17/356836017.db2.gz ZXZFTJNNXQQVGG-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000639837479 356830554 /nfs/dbraw/zinc/83/05/54/356830554.db2.gz YPYNDYRWRTVGPA-UWVGGRQHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000639837479 356830556 /nfs/dbraw/zinc/83/05/56/356830556.db2.gz YPYNDYRWRTVGPA-UWVGGRQHSA-N 1 2 201.266 0.470 20 0 BCADLO CO[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000639840784 356836021 /nfs/dbraw/zinc/83/60/21/356836021.db2.gz ZXZFTJNNXQQVGG-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCO[C@@H](OC)C1 ZINC000639840069 356831643 /nfs/dbraw/zinc/83/16/43/356831643.db2.gz VKLAVPRPKYVDAA-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CCn1nccc1CC[N@H+]1CCO[C@@H](OC)C1 ZINC000639840069 356831646 /nfs/dbraw/zinc/83/16/46/356831646.db2.gz VKLAVPRPKYVDAA-GFCCVEGCSA-N 1 2 239.319 0.750 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639840027 356831954 /nfs/dbraw/zinc/83/19/54/356831954.db2.gz LLIBAIKCXKHRIH-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639840027 356831957 /nfs/dbraw/zinc/83/19/57/356831957.db2.gz LLIBAIKCXKHRIH-SNVBAGLBSA-N 1 2 234.303 0.702 20 0 BCADLO CO[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000639838976 356832914 /nfs/dbraw/zinc/83/29/14/356832914.db2.gz XKCFKRNBHVOERB-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO CO[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCO1 ZINC000639838976 356832916 /nfs/dbraw/zinc/83/29/16/356832916.db2.gz XKCFKRNBHVOERB-UWVGGRQHSA-N 1 2 215.293 0.859 20 0 BCADLO CCOC(=O)C[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000152197015 356866838 /nfs/dbraw/zinc/86/68/38/356866838.db2.gz YVTXLWJNQMTKCU-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000152197015 356866842 /nfs/dbraw/zinc/86/68/42/356866842.db2.gz YVTXLWJNQMTKCU-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345844 363569343 /nfs/dbraw/zinc/56/93/43/363569343.db2.gz YPVYSJUWQNCENU-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345844 363569346 /nfs/dbraw/zinc/56/93/46/363569346.db2.gz YPVYSJUWQNCENU-VHSXEESVSA-N 1 2 212.293 0.376 20 0 BCADLO COCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000351669278 538707190 /nfs/dbraw/zinc/70/71/90/538707190.db2.gz DLQRUFUZYNFTEP-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO COCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000351669278 538707200 /nfs/dbraw/zinc/70/72/00/538707200.db2.gz DLQRUFUZYNFTEP-UHFFFAOYSA-N 1 2 237.303 0.980 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)Cc1cnn(C)c1C ZINC000359299289 356887113 /nfs/dbraw/zinc/88/71/13/356887113.db2.gz KZUNEFNZRORNEQ-UHFFFAOYSA-N 1 2 248.334 0.879 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cnn(C)c1C ZINC000359299289 356887115 /nfs/dbraw/zinc/88/71/15/356887115.db2.gz KZUNEFNZRORNEQ-UHFFFAOYSA-N 1 2 248.334 0.879 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000352052431 538711452 /nfs/dbraw/zinc/71/14/52/538711452.db2.gz KXLOWDVBHDEASY-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO C[C@H](O)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000352052431 538711462 /nfs/dbraw/zinc/71/14/62/538711462.db2.gz KXLOWDVBHDEASY-VIFPVBQESA-N 1 2 225.292 0.572 20 0 BCADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639846519 356842126 /nfs/dbraw/zinc/84/21/26/356842126.db2.gz APUUWMCCTHUWIP-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO CCC(F)(F)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639846519 356842129 /nfs/dbraw/zinc/84/21/29/356842129.db2.gz APUUWMCCTHUWIP-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1COCCO1)C(C)C ZINC000450518186 202189239 /nfs/dbraw/zinc/18/92/39/202189239.db2.gz IHJBSLJJSZOYNA-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1COCCO1)C(C)C ZINC000450518186 202189243 /nfs/dbraw/zinc/18/92/43/202189243.db2.gz IHJBSLJJSZOYNA-SNVBAGLBSA-N 1 2 231.292 0.285 20 0 BCADLO COC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054347230 363569148 /nfs/dbraw/zinc/56/91/48/363569148.db2.gz YCJLIERDRFIODS-UHFFFAOYSA-N 1 2 239.275 0.730 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000450554276 202196562 /nfs/dbraw/zinc/19/65/62/202196562.db2.gz LNJCKVIOPPKFOF-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000450554276 202196564 /nfs/dbraw/zinc/19/65/64/202196564.db2.gz LNJCKVIOPPKFOF-UWVGGRQHSA-N 1 2 231.292 0.285 20 0 BCADLO C[C@H]1OCC[N@H+](CCCCS(C)(=O)=O)[C@@H]1C ZINC000155962562 538744288 /nfs/dbraw/zinc/74/42/88/538744288.db2.gz OGYGYJJZPAJTRF-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@H]1OCC[N@@H+](CCCCS(C)(=O)=O)[C@@H]1C ZINC000155962562 538744289 /nfs/dbraw/zinc/74/42/89/538744289.db2.gz OGYGYJJZPAJTRF-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC(C)CC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000361244141 356921697 /nfs/dbraw/zinc/92/16/97/356921697.db2.gz LRFOBLBEXCSZCG-NSHDSACASA-N 1 2 233.377 0.848 20 0 BCADLO CC1(C)COCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000361384428 356929009 /nfs/dbraw/zinc/92/90/09/356929009.db2.gz KFEKSTLPOSGKPK-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO CC1(C)COCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000361384428 356929013 /nfs/dbraw/zinc/92/90/13/356929013.db2.gz KFEKSTLPOSGKPK-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO OCC[N@H+](Cc1cccnc1)Cc1cncnc1 ZINC000353414315 538739894 /nfs/dbraw/zinc/73/98/94/538739894.db2.gz AGNZAFRDEGHDEB-UHFFFAOYSA-N 1 2 244.298 0.866 20 0 BCADLO OCC[N@@H+](Cc1cccnc1)Cc1cncnc1 ZINC000353414315 538739900 /nfs/dbraw/zinc/73/99/00/538739900.db2.gz AGNZAFRDEGHDEB-UHFFFAOYSA-N 1 2 244.298 0.866 20 0 BCADLO Cc1cc(C(=O)NCCCO)c2[nH+]ccn2c1 ZINC000623934318 356941648 /nfs/dbraw/zinc/94/16/48/356941648.db2.gz MFNNQWBBXWKGQA-UHFFFAOYSA-N 1 2 233.271 0.755 20 0 BCADLO CCOc1ccc(C[N@H+](C)CC(=O)NC)nc1 ZINC000088577644 491106130 /nfs/dbraw/zinc/10/61/30/491106130.db2.gz QFDVTQRYEZJNGD-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCOc1ccc(C[N@@H+](C)CC(=O)NC)nc1 ZINC000088577644 491106131 /nfs/dbraw/zinc/10/61/31/491106131.db2.gz QFDVTQRYEZJNGD-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CCc1nc(N2C[C@H](O)C[C@H]2CO)cc(C)[nH+]1 ZINC000367420913 356954495 /nfs/dbraw/zinc/95/44/95/356954495.db2.gz WLDDBQUWGSOFTA-VHSXEESVSA-N 1 2 237.303 0.279 20 0 BCADLO CCOC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000399483922 356955154 /nfs/dbraw/zinc/95/51/54/356955154.db2.gz BNFPXNQYVVPXBO-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO CCOC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000399483922 356955156 /nfs/dbraw/zinc/95/51/56/356955156.db2.gz BNFPXNQYVVPXBO-VIFPVBQESA-N 1 2 201.266 0.660 20 0 BCADLO Cc1cc(N[C@@H]2CCNC(=O)CC2)c(C#N)c[nH+]1 ZINC000399480426 356955185 /nfs/dbraw/zinc/95/51/85/356955185.db2.gz ZCKOUCQPJVJQHF-NSHDSACASA-N 1 2 244.298 0.764 20 0 BCADLO COC(=O)CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000053399534 356960653 /nfs/dbraw/zinc/96/06/53/356960653.db2.gz VCHZPVHJJXEXSI-UHFFFAOYSA-N 1 2 240.303 0.104 20 0 BCADLO NC(=O)c1cc(C[NH2+]CC2(F)CC2)on1 ZINC000389860965 357055761 /nfs/dbraw/zinc/05/57/61/357055761.db2.gz DIAFHEJUMWCTMZ-UHFFFAOYSA-N 1 2 213.212 0.365 20 0 BCADLO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)c(C)n1 ZINC000639871567 357036644 /nfs/dbraw/zinc/03/66/44/357036644.db2.gz LIHGKIVBIMGYEH-CQSZACIVSA-N 1 2 249.358 0.807 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c(C)n1 ZINC000639871567 357036649 /nfs/dbraw/zinc/03/66/49/357036649.db2.gz LIHGKIVBIMGYEH-CQSZACIVSA-N 1 2 249.358 0.807 20 0 BCADLO COC(C)(C)C[N@H+](C)Cc1nnn(C)n1 ZINC000582280043 357007593 /nfs/dbraw/zinc/00/75/93/357007593.db2.gz NGTJLVHKTSBDMZ-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO COC(C)(C)C[N@@H+](C)Cc1nnn(C)n1 ZINC000582280043 357007597 /nfs/dbraw/zinc/00/75/97/357007597.db2.gz NGTJLVHKTSBDMZ-UHFFFAOYSA-N 1 2 213.285 0.067 20 0 BCADLO CC/C=C/CCN1CC[N@H+](C)C[C@H]1CO ZINC000639869324 357015370 /nfs/dbraw/zinc/01/53/70/357015370.db2.gz BCZHDLIGBBCXTJ-ITKZLYELSA-N 1 2 212.337 0.951 20 0 BCADLO CC/C=C/CCN1CC[N@@H+](C)C[C@H]1CO ZINC000639869324 357015373 /nfs/dbraw/zinc/01/53/73/357015373.db2.gz BCZHDLIGBBCXTJ-ITKZLYELSA-N 1 2 212.337 0.951 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1CCCCO1 ZINC000355266382 538791639 /nfs/dbraw/zinc/79/16/39/538791639.db2.gz NBCFIMUHMLMFCE-LLVKDONJSA-N 1 2 237.303 0.996 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)c1ccc(=O)[nH]c1 ZINC000355248011 538792251 /nfs/dbraw/zinc/79/22/51/538792251.db2.gz GMLIHQIGWFSFSN-UHFFFAOYSA-N 1 2 232.243 0.451 20 0 BCADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)CO1 ZINC000355289727 538794269 /nfs/dbraw/zinc/79/42/69/538794269.db2.gz KNCRIPZTOAVJRV-BDAKNGLRSA-N 1 2 223.276 0.461 20 0 BCADLO CCN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000022816149 357081669 /nfs/dbraw/zinc/08/16/69/357081669.db2.gz CKIBVAAUCGOYJE-NSHDSACASA-N 1 2 225.336 0.293 20 0 BCADLO COC[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413217778 491107520 /nfs/dbraw/zinc/10/75/20/491107520.db2.gz DPOXGAZJSLUXHC-RKDXNWHRSA-N 1 2 240.307 0.716 20 0 BCADLO COC[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413217778 491107522 /nfs/dbraw/zinc/10/75/22/491107522.db2.gz DPOXGAZJSLUXHC-RKDXNWHRSA-N 1 2 240.307 0.716 20 0 BCADLO CC[C@H](CCO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000354825335 538784627 /nfs/dbraw/zinc/78/46/27/538784627.db2.gz MSBZSFIHOODWMJ-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CC[C@H](CCO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000354825335 538784630 /nfs/dbraw/zinc/78/46/30/538784630.db2.gz MSBZSFIHOODWMJ-SNVBAGLBSA-N 1 2 239.319 0.867 20 0 BCADLO CC(C)(NC(=O)C(=O)NC1CC1)c1[nH]cc[nH+]1 ZINC000582425741 357145772 /nfs/dbraw/zinc/14/57/72/357145772.db2.gz LZDYXGCGRNWURK-UHFFFAOYSA-N 1 2 236.275 0.040 20 0 BCADLO C[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346832428 357161414 /nfs/dbraw/zinc/16/14/14/357161414.db2.gz ZYDIGPZOECIDSK-JGVFFNPUSA-N 1 2 223.276 0.327 20 0 BCADLO C[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000346832428 357161417 /nfs/dbraw/zinc/16/14/17/357161417.db2.gz ZYDIGPZOECIDSK-JGVFFNPUSA-N 1 2 223.276 0.327 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2cn(C3CC3)nn2)C1 ZINC000626516673 357162987 /nfs/dbraw/zinc/16/29/87/357162987.db2.gz YSSCEXXWZPMIOP-UHFFFAOYSA-N 1 2 249.318 0.435 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000583689586 357120695 /nfs/dbraw/zinc/12/06/95/357120695.db2.gz AKJWKUKFJWNXKT-RKDXNWHRSA-N 1 2 211.265 0.977 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000583689586 357120698 /nfs/dbraw/zinc/12/06/98/357120698.db2.gz AKJWKUKFJWNXKT-RKDXNWHRSA-N 1 2 211.265 0.977 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)ccn1 ZINC000391235948 357126446 /nfs/dbraw/zinc/12/64/46/357126446.db2.gz VWSUTLPLHVMODI-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO CCOCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000041392668 357128850 /nfs/dbraw/zinc/12/88/50/357128850.db2.gz FQICEQBFWXNVEL-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCOCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000041392668 357128853 /nfs/dbraw/zinc/12/88/53/357128853.db2.gz FQICEQBFWXNVEL-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO CCOCCOCC(=O)NCc1c[nH+]cn1C ZINC000356772326 538814786 /nfs/dbraw/zinc/81/47/86/538814786.db2.gz WLXPHSILFJDGNF-UHFFFAOYSA-N 1 2 241.291 0.089 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1cccc(O)c1 ZINC000356753322 538815143 /nfs/dbraw/zinc/81/51/43/538815143.db2.gz GVBTVCHMQYAFEO-UHFFFAOYSA-N 1 2 245.282 0.985 20 0 BCADLO CC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000123420150 357226932 /nfs/dbraw/zinc/22/69/32/357226932.db2.gz PZYCXWLGZVCKIK-SSDOTTSWSA-N 1 2 221.264 0.546 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375332514 357177407 /nfs/dbraw/zinc/17/74/07/357177407.db2.gz MGMFGHAPENYJPJ-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375332514 357177411 /nfs/dbraw/zinc/17/74/11/357177411.db2.gz MGMFGHAPENYJPJ-GFCCVEGCSA-N 1 2 240.347 0.869 20 0 BCADLO FC1(C[NH+]2CCN(c3nccnn3)CC2)CC1 ZINC000628389614 357186584 /nfs/dbraw/zinc/18/65/84/357186584.db2.gz QWRNKVXQWGJJFJ-UHFFFAOYSA-N 1 2 237.282 0.496 20 0 BCADLO CC(C)(CO)CCCNC(=O)Cn1cc[nH+]c1 ZINC000393438817 357309277 /nfs/dbraw/zinc/30/92/77/357309277.db2.gz UAZIUVYKZZFFAU-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2csnn2)C1=O ZINC000393615153 357290329 /nfs/dbraw/zinc/29/03/29/357290329.db2.gz WZLPIDFEFIIYOJ-QMMMGPOBSA-N 1 2 226.305 0.249 20 0 BCADLO NC(=O)c1cc(NCCn2cc[nH+]c2)ccn1 ZINC000041119984 181290625 /nfs/dbraw/zinc/29/06/25/181290625.db2.gz JNOSGVXXVCKTTA-UHFFFAOYSA-N 1 2 231.259 0.489 20 0 BCADLO COc1c(N)[nH+]cnc1N1CCC[C@H](O)CC1 ZINC000393246391 357279697 /nfs/dbraw/zinc/27/96/97/357279697.db2.gz SFDWOEQPQCPACW-QMMMGPOBSA-N 1 2 238.291 0.419 20 0 BCADLO COc1c(N)nc[nH+]c1N1CCC[C@H](O)CC1 ZINC000393246391 357279699 /nfs/dbraw/zinc/27/96/99/357279699.db2.gz SFDWOEQPQCPACW-QMMMGPOBSA-N 1 2 238.291 0.419 20 0 BCADLO CCc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000050103625 357329116 /nfs/dbraw/zinc/32/91/16/357329116.db2.gz LATORRIIZRFIJQ-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000050103625 357329119 /nfs/dbraw/zinc/32/91/19/357329119.db2.gz LATORRIIZRFIJQ-UHFFFAOYSA-N 1 2 213.281 0.835 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@H]1C ZINC000582616748 357354117 /nfs/dbraw/zinc/35/41/17/357354117.db2.gz LTHPOKOYGBHKEM-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@H]1C ZINC000582616748 357354118 /nfs/dbraw/zinc/35/41/18/357354118.db2.gz LTHPOKOYGBHKEM-ZJUUUORDSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](CC(=O)NC[C@H](O)C(F)F)n1cc[nH+]c1 ZINC000582669249 357359064 /nfs/dbraw/zinc/35/90/64/357359064.db2.gz HHNVHZOXBDTDFE-SFYZADRCSA-N 1 2 247.245 0.576 20 0 BCADLO Cc1[nH]c(CNCC(F)(F)CO)[nH+]c1C ZINC000582736658 357377375 /nfs/dbraw/zinc/37/73/75/357377375.db2.gz DMYXBEIPDPMWGD-UHFFFAOYSA-N 1 2 219.235 0.744 20 0 BCADLO CC=CC[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000357706358 538833214 /nfs/dbraw/zinc/83/32/14/538833214.db2.gz IOKNCKSXHXSTIL-UMBAGQNISA-N 1 2 248.286 0.807 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000582764339 357384076 /nfs/dbraw/zinc/38/40/76/357384076.db2.gz DMWPMERVMZJRLC-VHSXEESVSA-N 1 2 223.276 0.567 20 0 BCADLO C[C@]12COC[C@@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000618701551 357405689 /nfs/dbraw/zinc/40/56/89/357405689.db2.gz JGRIMEIXJWUGQS-JQWIXIFHSA-N 1 2 235.287 0.378 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](O)[C@H](OC)C1 ZINC000395924634 357460682 /nfs/dbraw/zinc/46/06/82/357460682.db2.gz KIRFDUUIHNXCMC-PSASIEDQSA-N 1 2 224.260 0.286 20 0 BCADLO Cc1nn(C)cc1CNC(=O)Cn1cc[nH+]c1 ZINC000583017503 357461469 /nfs/dbraw/zinc/46/14/69/357461469.db2.gz ADDIJOIHHAHSRQ-UHFFFAOYSA-N 1 2 233.275 0.241 20 0 BCADLO C[C@H](NC(=O)c1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000158075444 538847914 /nfs/dbraw/zinc/84/79/14/538847914.db2.gz LBUDDJSTMZAASM-GXSJLCMTSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@H](NC(=O)c1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000158075444 538847917 /nfs/dbraw/zinc/84/79/17/538847917.db2.gz LBUDDJSTMZAASM-GXSJLCMTSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCN(C)C(=O)C2)O1 ZINC000188555018 357561196 /nfs/dbraw/zinc/56/11/96/357561196.db2.gz WDBMVGJNTBHQTJ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCN(C)C(=O)C2)O1 ZINC000188555018 357561201 /nfs/dbraw/zinc/56/12/01/357561201.db2.gz WDBMVGJNTBHQTJ-NXEZZACHSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188559541 357561860 /nfs/dbraw/zinc/56/18/60/357561860.db2.gz AULKQGYKTJOMPO-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188559541 357561862 /nfs/dbraw/zinc/56/18/62/357561862.db2.gz AULKQGYKTJOMPO-QMMMGPOBSA-N 1 2 209.236 0.989 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000189073518 357603636 /nfs/dbraw/zinc/60/36/36/357603636.db2.gz MMKVFCHYBTZOQM-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCCO[C@@H](C)C1 ZINC000189073518 357603638 /nfs/dbraw/zinc/60/36/38/357603638.db2.gz MMKVFCHYBTZOQM-IUCAKERBSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cccnc1 ZINC000189084904 357604239 /nfs/dbraw/zinc/60/42/39/357604239.db2.gz QUONLWQZUOCKMF-JTQLQIEISA-N 1 2 219.288 0.792 20 0 BCADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cccnc1 ZINC000189084904 357604244 /nfs/dbraw/zinc/60/42/44/357604244.db2.gz QUONLWQZUOCKMF-JTQLQIEISA-N 1 2 219.288 0.792 20 0 BCADLO CCCN1CCCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000189212922 357610445 /nfs/dbraw/zinc/61/04/45/357610445.db2.gz UJAILPXCNHUERG-UHFFFAOYSA-N 1 2 236.319 0.854 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000189932353 357676821 /nfs/dbraw/zinc/67/68/21/357676821.db2.gz OVOVSDRKLZCXFD-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000189932353 357676824 /nfs/dbraw/zinc/67/68/24/357676824.db2.gz OVOVSDRKLZCXFD-RWMBFGLXSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H](O)CN1CC[NH+](CCc2ccncc2)CC1 ZINC000189377685 357634547 /nfs/dbraw/zinc/63/45/47/357634547.db2.gz CTAJROBMQGOWCH-ZDUSSCGKSA-N 1 2 249.358 0.623 20 0 BCADLO C[C@H](O)C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000397763849 357681926 /nfs/dbraw/zinc/68/19/26/357681926.db2.gz XJRWVEJSDFPQGK-UWVGGRQHSA-N 1 2 225.292 0.406 20 0 BCADLO C[C@@H](O)C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000397763848 357682217 /nfs/dbraw/zinc/68/22/17/357682217.db2.gz XJRWVEJSDFPQGK-NXEZZACHSA-N 1 2 225.292 0.406 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1c[nH+]c[nH]1 ZINC000190093614 357683367 /nfs/dbraw/zinc/68/33/67/357683367.db2.gz RGFPXOIYFFBNSR-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO C[C@@H]1C(=O)N(C)CCN1Cc1c[nH]c[nH+]1 ZINC000190093614 357683370 /nfs/dbraw/zinc/68/33/70/357683370.db2.gz RGFPXOIYFFBNSR-MRVPVSSYSA-N 1 2 208.265 0.072 20 0 BCADLO CCC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000190278212 357698766 /nfs/dbraw/zinc/69/87/66/357698766.db2.gz QSLHHQPVSNTUDE-MWLCHTKSSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000190278212 357698769 /nfs/dbraw/zinc/69/87/69/357698769.db2.gz QSLHHQPVSNTUDE-MWLCHTKSSA-N 1 2 243.303 0.618 20 0 BCADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190869272 357727731 /nfs/dbraw/zinc/72/77/31/357727731.db2.gz UCGCJMYFKHARCH-BDAKNGLRSA-N 1 2 225.292 0.692 20 0 BCADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190869272 357727735 /nfs/dbraw/zinc/72/77/35/357727735.db2.gz UCGCJMYFKHARCH-BDAKNGLRSA-N 1 2 225.292 0.692 20 0 BCADLO COCCN1CCC[N@H+](C/C=C/Cl)CC1=O ZINC000190763563 357731031 /nfs/dbraw/zinc/73/10/31/357731031.db2.gz IYCAEWXIFXBUKI-DUXPYHPUSA-N 1 2 246.738 0.920 20 0 BCADLO COCCN1CCC[N@@H+](C/C=C/Cl)CC1=O ZINC000190763563 357731032 /nfs/dbraw/zinc/73/10/32/357731032.db2.gz IYCAEWXIFXBUKI-DUXPYHPUSA-N 1 2 246.738 0.920 20 0 BCADLO CC[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000233907515 357761730 /nfs/dbraw/zinc/76/17/30/357761730.db2.gz SAWLHPDBORBKDZ-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO CC[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000233907515 357761731 /nfs/dbraw/zinc/76/17/31/357761731.db2.gz SAWLHPDBORBKDZ-RXMQYKEDSA-N 1 2 216.672 0.895 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)NC(C)(C)CC ZINC000191700741 357800456 /nfs/dbraw/zinc/80/04/56/357800456.db2.gz QFEDMOFBFJIFRW-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)NC(C)(C)CC ZINC000191700741 357800461 /nfs/dbraw/zinc/80/04/61/357800461.db2.gz QFEDMOFBFJIFRW-UHFFFAOYSA-N 1 2 229.324 0.098 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](O)C1 ZINC000191995266 357819689 /nfs/dbraw/zinc/81/96/89/357819689.db2.gz KXZGZDQZBDEIQV-APPZFPTMSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](O)C1 ZINC000191995266 357819693 /nfs/dbraw/zinc/81/96/93/357819693.db2.gz KXZGZDQZBDEIQV-APPZFPTMSA-N 1 2 223.280 0.136 20 0 BCADLO C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000192775447 357851516 /nfs/dbraw/zinc/85/15/16/357851516.db2.gz HMQWAGOVWROVEX-DTWKUNHWSA-N 1 2 210.281 0.713 20 0 BCADLO C[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000192775447 357851521 /nfs/dbraw/zinc/85/15/21/357851521.db2.gz HMQWAGOVWROVEX-DTWKUNHWSA-N 1 2 210.281 0.713 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@H]1CCCCNC1=O ZINC000192951115 357861157 /nfs/dbraw/zinc/86/11/57/357861157.db2.gz AQHJIEIXTNFEPA-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCCCNC1=O ZINC000192951115 357861160 /nfs/dbraw/zinc/86/11/60/357861160.db2.gz AQHJIEIXTNFEPA-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCc1cc(NCC(=O)N(C)CC)nc[nH+]1 ZINC000229573473 491116118 /nfs/dbraw/zinc/11/61/18/491116118.db2.gz RKOAXDWQECFLBV-UHFFFAOYSA-N 1 2 222.292 0.929 20 0 BCADLO CC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639932039 357923901 /nfs/dbraw/zinc/92/39/01/357923901.db2.gz SNSFIMIXYWXKMN-CHWSQXEVSA-N 1 2 235.283 0.700 20 0 BCADLO CC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639932039 357923903 /nfs/dbraw/zinc/92/39/03/357923903.db2.gz SNSFIMIXYWXKMN-CHWSQXEVSA-N 1 2 235.283 0.700 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@H]2CC(=O)NC2=O)s1 ZINC000583820230 357961215 /nfs/dbraw/zinc/96/12/15/357961215.db2.gz REMYFWGSQKGUTP-QMMMGPOBSA-N 1 2 239.300 0.298 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@H]2CC(=O)NC2=O)s1 ZINC000583820230 357961219 /nfs/dbraw/zinc/96/12/19/357961219.db2.gz REMYFWGSQKGUTP-QMMMGPOBSA-N 1 2 239.300 0.298 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)[nH]1 ZINC000639937613 357939390 /nfs/dbraw/zinc/93/93/90/357939390.db2.gz VILLZKLQXOXCSL-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)[nH]1 ZINC000639937613 357939395 /nfs/dbraw/zinc/93/93/95/357939395.db2.gz VILLZKLQXOXCSL-ZJUUUORDSA-N 1 2 238.335 0.960 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CCCCO1 ZINC000583772110 357940214 /nfs/dbraw/zinc/94/02/14/357940214.db2.gz RBPWZSLVMUKMBJ-LLVKDONJSA-N 1 2 237.303 0.959 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)[nH]1 ZINC000639938283 357947932 /nfs/dbraw/zinc/94/79/32/357947932.db2.gz QMBYVHJWLJCTOO-SCZZXKLOSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)[nH]1 ZINC000639938283 357947936 /nfs/dbraw/zinc/94/79/36/357947936.db2.gz QMBYVHJWLJCTOO-SCZZXKLOSA-N 1 2 224.308 0.706 20 0 BCADLO CCCn1ncnc1C[NH2+][C@](C)(CO)COC ZINC000639958088 357981621 /nfs/dbraw/zinc/98/16/21/357981621.db2.gz OWZCZQNVYCHPCN-LLVKDONJSA-N 1 2 242.323 0.175 20 0 BCADLO CCCn1ncnc1C[NH2+][C@@](C)(CO)COC ZINC000639958089 357981803 /nfs/dbraw/zinc/98/18/03/357981803.db2.gz OWZCZQNVYCHPCN-NSHDSACASA-N 1 2 242.323 0.175 20 0 BCADLO CC(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000584463174 357986209 /nfs/dbraw/zinc/98/62/09/357986209.db2.gz URBQHFWXKWSOFU-UHFFFAOYSA-N 1 2 224.260 0.834 20 0 BCADLO COc1c(N)[nH+]cnc1N(C)CC[C@@H](C)O ZINC000220095956 358024307 /nfs/dbraw/zinc/02/43/07/358024307.db2.gz ICPCFCFNOLNPMD-SSDOTTSWSA-N 1 2 226.280 0.275 20 0 BCADLO COc1c(N)nc[nH+]c1N(C)CC[C@@H](C)O ZINC000220095956 358024310 /nfs/dbraw/zinc/02/43/10/358024310.db2.gz ICPCFCFNOLNPMD-SSDOTTSWSA-N 1 2 226.280 0.275 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnns2)[C@@](C)(CO)C1 ZINC000640004846 358050701 /nfs/dbraw/zinc/05/07/01/358050701.db2.gz ODGWZDDYKXNMIU-PSASIEDQSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnns2)[C@@](C)(CO)C1 ZINC000640004846 358050705 /nfs/dbraw/zinc/05/07/05/358050705.db2.gz ODGWZDDYKXNMIU-PSASIEDQSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC000640006142 358061089 /nfs/dbraw/zinc/06/10/89/358061089.db2.gz ULZIUJYMKHKKQW-ZJUUUORDSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC000640006142 358061092 /nfs/dbraw/zinc/06/10/92/358061092.db2.gz ULZIUJYMKHKKQW-ZJUUUORDSA-N 1 2 243.332 0.510 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc(C)no2)[C@](C)(CO)C1 ZINC000640011805 358067577 /nfs/dbraw/zinc/06/75/77/358067577.db2.gz XZPKCGNBTWVPIZ-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc(C)no2)[C@](C)(CO)C1 ZINC000640011805 358067579 /nfs/dbraw/zinc/06/75/79/358067579.db2.gz XZPKCGNBTWVPIZ-ONGXEEELSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@H]1C[N@H+](Cc2noc(C)n2)[C@](C)(CO)C1 ZINC000640009835 358075847 /nfs/dbraw/zinc/07/58/47/358075847.db2.gz PZHBIJBFWITSKV-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2noc(C)n2)[C@](C)(CO)C1 ZINC000640009835 358075850 /nfs/dbraw/zinc/07/58/50/358075850.db2.gz PZHBIJBFWITSKV-KOLCDFICSA-N 1 2 241.291 0.350 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)C[C@H](C)O ZINC000352194518 535397744 /nfs/dbraw/zinc/39/77/44/535397744.db2.gz KIXPXRFJGZAFSE-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)C[C@H](C)O ZINC000352194518 535397750 /nfs/dbraw/zinc/39/77/50/535397750.db2.gz KIXPXRFJGZAFSE-QMMMGPOBSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)C[C@@H](C)O ZINC000352193155 535395832 /nfs/dbraw/zinc/39/58/32/535395832.db2.gz BMMBJTHFCVADBF-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[N@H+](Cc1nnnn1C(C)(C)C)C[C@@H](C)O ZINC000352193155 535395834 /nfs/dbraw/zinc/39/58/34/535395834.db2.gz BMMBJTHFCVADBF-SECBINFHSA-N 1 2 241.339 0.631 20 0 BCADLO CC[C@@]1(O)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000640036256 358135915 /nfs/dbraw/zinc/13/59/15/358135915.db2.gz QUZSWOHBHOTTDE-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO CC[C@@]1(O)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000640036256 358135917 /nfs/dbraw/zinc/13/59/17/358135917.db2.gz QUZSWOHBHOTTDE-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584810973 358183701 /nfs/dbraw/zinc/18/37/01/358183701.db2.gz WMDIJOOWMOSQMA-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000584810973 358183702 /nfs/dbraw/zinc/18/37/02/358183702.db2.gz WMDIJOOWMOSQMA-IJLUTSLNSA-N 1 2 240.347 0.869 20 0 BCADLO Cn1[nH]c(C[NH+]2CCC(C)(F)CC2)nc1=O ZINC000640071916 358158815 /nfs/dbraw/zinc/15/88/15/358158815.db2.gz UMFZZNOSLFJBMN-UHFFFAOYSA-N 1 2 228.271 0.432 20 0 BCADLO COCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584832157 358196038 /nfs/dbraw/zinc/19/60/38/358196038.db2.gz QKNQEENXEFVBEO-JTQLQIEISA-N 1 2 249.314 0.741 20 0 BCADLO COc1cccc(C[N@H+](CC(N)=O)C(C)C)n1 ZINC000171859159 134261483 /nfs/dbraw/zinc/26/14/83/134261483.db2.gz QVVVIVYRWVAELT-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO COc1cccc(C[N@@H+](CC(N)=O)C(C)C)n1 ZINC000171859159 134261484 /nfs/dbraw/zinc/26/14/84/134261484.db2.gz QVVVIVYRWVAELT-UHFFFAOYSA-N 1 2 237.303 0.786 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239933 /nfs/dbraw/zinc/23/99/33/202239933.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239935 /nfs/dbraw/zinc/23/99/35/202239935.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239939 /nfs/dbraw/zinc/23/99/39/202239939.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239943 /nfs/dbraw/zinc/23/99/43/202239943.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239947 /nfs/dbraw/zinc/23/99/47/202239947.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@@H]1CCCC[C@@H]1O ZINC000450701635 202239949 /nfs/dbraw/zinc/23/99/49/202239949.db2.gz WYZAIUGMLZRSPM-ONGXEEELSA-N 1 2 224.308 0.788 20 0 BCADLO COCC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000547482401 325361382 /nfs/dbraw/zinc/36/13/82/325361382.db2.gz BLOZSECDSFMMNA-UHFFFAOYSA-N 1 2 239.319 0.751 20 0 BCADLO CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000070237475 535411143 /nfs/dbraw/zinc/41/11/43/535411143.db2.gz NPLYOAVYYSOPME-UHFFFAOYSA-N 1 2 249.314 0.767 20 0 BCADLO NC(=O)c1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000231776233 181296218 /nfs/dbraw/zinc/29/62/18/181296218.db2.gz RYZCTQVAKVCHQJ-UHFFFAOYSA-N 1 2 244.241 0.503 20 0 BCADLO Cc1[nH+]c2ccccc2n1CC(=O)NCCCO ZINC000041288030 358282007 /nfs/dbraw/zinc/28/20/07/358282007.db2.gz WZQLLQSYTJCUDB-UHFFFAOYSA-N 1 2 247.298 0.843 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000172878828 134270299 /nfs/dbraw/zinc/27/02/99/134270299.db2.gz QTJHKKVSPXRVNT-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000172878828 134270300 /nfs/dbraw/zinc/27/03/00/134270300.db2.gz QTJHKKVSPXRVNT-SNVBAGLBSA-N 1 2 244.335 0.248 20 0 BCADLO CCn1cc[nH+]c1CN1CCO[C@@H](COC)C1 ZINC000172883212 134270130 /nfs/dbraw/zinc/27/01/30/134270130.db2.gz VVKJAJBKVWIVEN-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO COC(=O)[C@H](NCCn1cc[nH+]c1)C(C)C ZINC000043442252 358376097 /nfs/dbraw/zinc/37/60/97/358376097.db2.gz FXJKMLCCGOMINO-SNVBAGLBSA-N 1 2 225.292 0.670 20 0 BCADLO Nc1cnc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000228575407 358379779 /nfs/dbraw/zinc/37/97/79/358379779.db2.gz HNNDALFORCWHMQ-UHFFFAOYSA-N 1 2 246.274 0.075 20 0 BCADLO CC(C)[N@@H+]1CCO[C@H](c2nc(N(C)C)no2)C1 ZINC000351197703 366448605 /nfs/dbraw/zinc/44/86/05/366448605.db2.gz ZARXNHNLDARRTA-VIFPVBQESA-N 1 2 240.307 0.917 20 0 BCADLO CC(C)[N@H+]1CCO[C@H](c2nc(N(C)C)no2)C1 ZINC000351197703 366448608 /nfs/dbraw/zinc/44/86/08/366448608.db2.gz ZARXNHNLDARRTA-VIFPVBQESA-N 1 2 240.307 0.917 20 0 BCADLO NC(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640154165 358438368 /nfs/dbraw/zinc/43/83/68/358438368.db2.gz WVQMVWJXJSXSAN-SECBINFHSA-N 1 2 214.215 0.911 20 0 BCADLO CC(C)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000174791184 134283533 /nfs/dbraw/zinc/28/35/33/134283533.db2.gz PEXFSUOQTXJHEI-GFCCVEGCSA-N 1 2 239.363 0.681 20 0 BCADLO CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047676093 358597879 /nfs/dbraw/zinc/59/78/79/358597879.db2.gz NQUJSTSZQGKXTK-JTQLQIEISA-N 1 2 229.324 0.416 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](C)O)n1C ZINC000131126999 358661369 /nfs/dbraw/zinc/66/13/69/358661369.db2.gz YYLAFDKGFUGCDS-QMMMGPOBSA-N 1 2 212.297 0.190 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](C)O)n1C ZINC000131126999 358661371 /nfs/dbraw/zinc/66/13/71/358661371.db2.gz YYLAFDKGFUGCDS-QMMMGPOBSA-N 1 2 212.297 0.190 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nccnc1N ZINC000048963270 358664106 /nfs/dbraw/zinc/66/41/06/358664106.db2.gz YSCSRMKWKZXZPR-QMMMGPOBSA-N 1 2 246.274 0.074 20 0 BCADLO CN(C)c1[nH+]cc(CNCc2ccn(C)n2)n1C ZINC000213150303 358670190 /nfs/dbraw/zinc/67/01/90/358670190.db2.gz AROYSSUQYYMRPP-UHFFFAOYSA-N 1 2 248.334 0.509 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000050064434 358711754 /nfs/dbraw/zinc/71/17/54/358711754.db2.gz SSLQJJVRXPVKPX-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000050064434 358711755 /nfs/dbraw/zinc/71/17/55/358711755.db2.gz SSLQJJVRXPVKPX-NSHDSACASA-N 1 2 237.303 0.948 20 0 BCADLO OCCOCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000132581353 358728495 /nfs/dbraw/zinc/72/84/95/358728495.db2.gz BCKIGJWXRUINNE-NSHDSACASA-N 1 2 239.319 0.598 20 0 BCADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2CCC2)C1 ZINC000134523763 358794655 /nfs/dbraw/zinc/79/46/55/358794655.db2.gz DLWLEZIQWZOKCO-LLVKDONJSA-N 1 2 240.351 0.084 20 0 BCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CCC2)C1 ZINC000134523763 358794658 /nfs/dbraw/zinc/79/46/58/358794658.db2.gz DLWLEZIQWZOKCO-LLVKDONJSA-N 1 2 240.351 0.084 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176432381 134291963 /nfs/dbraw/zinc/29/19/63/134291963.db2.gz AZLDZEUPURVAEU-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176432381 134291964 /nfs/dbraw/zinc/29/19/64/134291964.db2.gz AZLDZEUPURVAEU-WDEREUQCSA-N 1 2 241.335 0.511 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341360 358859628 /nfs/dbraw/zinc/85/96/28/358859628.db2.gz ZCHRBELWSPMWCT-VIFPVBQESA-N 1 2 239.275 0.730 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341360 358859631 /nfs/dbraw/zinc/85/96/31/358859631.db2.gz ZCHRBELWSPMWCT-VIFPVBQESA-N 1 2 239.275 0.730 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC000135538712 358843607 /nfs/dbraw/zinc/84/36/07/358843607.db2.gz KSOSLHMNCMRMOD-NSHDSACASA-N 1 2 243.303 0.287 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC000135538712 358843611 /nfs/dbraw/zinc/84/36/11/358843611.db2.gz KSOSLHMNCMRMOD-NSHDSACASA-N 1 2 243.303 0.287 20 0 BCADLO O=C(NCCn1cc[nH+]c1)Nc1ccon1 ZINC000180492901 366481608 /nfs/dbraw/zinc/48/16/08/366481608.db2.gz IHWUQMKNWPDBRP-UHFFFAOYSA-N 1 2 221.220 0.693 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1[C@@H]2CCC[C@H]12 ZINC000177606311 134300675 /nfs/dbraw/zinc/30/06/75/134300675.db2.gz MLRVWAITQZYTOV-FOSCPWQOSA-N 1 2 238.331 0.481 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCO ZINC000177672434 134301006 /nfs/dbraw/zinc/30/10/06/134301006.db2.gz VAXINSQQRYVSGU-LBPRGKRZSA-N 1 2 235.283 0.579 20 0 BCADLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCO ZINC000177672434 134301007 /nfs/dbraw/zinc/30/10/07/134301007.db2.gz VAXINSQQRYVSGU-LBPRGKRZSA-N 1 2 235.283 0.579 20 0 BCADLO CC[C@@H](NC(=O)Cn1cccn1)c1[nH]cc[nH+]1 ZINC000140567900 358923860 /nfs/dbraw/zinc/92/38/60/358923860.db2.gz SXHHXINVRVSMOE-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CCOC(=O)CCC[NH+]1CCN(C(C)=O)CC1 ZINC000070925195 359066106 /nfs/dbraw/zinc/06/61/06/359066106.db2.gz HYJBROIVKBYEID-UHFFFAOYSA-N 1 2 242.319 0.494 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc[nH]c1=O ZINC000070979393 359068472 /nfs/dbraw/zinc/06/84/72/359068472.db2.gz CYQTUQWHWWLZGI-UHFFFAOYSA-N 1 2 232.243 0.370 20 0 BCADLO CSC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258580 325442805 /nfs/dbraw/zinc/44/28/05/325442805.db2.gz FHODTRSBFNDIOG-QMMMGPOBSA-N 1 2 227.333 0.830 20 0 BCADLO CC1CCN(C(=O)C[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000054104245 359106891 /nfs/dbraw/zinc/10/68/91/359106891.db2.gz OXDGBOCANISTLF-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC1CCN(C(=O)C[N@H+]2CCO[C@H](C)C2)CC1 ZINC000054104245 359106896 /nfs/dbraw/zinc/10/68/96/359106896.db2.gz OXDGBOCANISTLF-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC ZINC000611208834 359111874 /nfs/dbraw/zinc/11/18/74/359111874.db2.gz SQYCHAOLFQOLGJ-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC ZINC000611208834 359111877 /nfs/dbraw/zinc/11/18/77/359111877.db2.gz SQYCHAOLFQOLGJ-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000074755681 359128202 /nfs/dbraw/zinc/12/82/02/359128202.db2.gz RAFFTCYPFSTKCG-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000074755681 359128206 /nfs/dbraw/zinc/12/82/06/359128206.db2.gz RAFFTCYPFSTKCG-VIFPVBQESA-N 1 2 220.338 0.362 20 0 BCADLO O=C(c1cnccn1)N1CC[NH+](C2CC2)CC1 ZINC000074884319 359133680 /nfs/dbraw/zinc/13/36/80/359133680.db2.gz YHMWNLHTVYSDBW-UHFFFAOYSA-N 1 2 232.287 0.397 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000246695117 359157538 /nfs/dbraw/zinc/15/75/38/359157538.db2.gz DWYPBNMDPXUDEZ-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000246695117 359157542 /nfs/dbraw/zinc/15/75/42/359157542.db2.gz DWYPBNMDPXUDEZ-OUAUKWLOSA-N 1 2 226.320 0.574 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCOC(C)C ZINC000247538171 359231902 /nfs/dbraw/zinc/23/19/02/359231902.db2.gz QLEPEPLYJCBSLR-QWRGUYRKSA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCOC(C)C ZINC000247538171 359231904 /nfs/dbraw/zinc/23/19/04/359231904.db2.gz QLEPEPLYJCBSLR-QWRGUYRKSA-N 1 2 245.319 0.674 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000611668858 359413805 /nfs/dbraw/zinc/41/38/05/359413805.db2.gz VYWFBBLAQXYQHJ-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000611668858 359413811 /nfs/dbraw/zinc/41/38/11/359413811.db2.gz VYWFBBLAQXYQHJ-SNVBAGLBSA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000611668857 359414040 /nfs/dbraw/zinc/41/40/40/359414040.db2.gz VYWFBBLAQXYQHJ-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000611668857 359414044 /nfs/dbraw/zinc/41/40/44/359414044.db2.gz VYWFBBLAQXYQHJ-JTQLQIEISA-N 1 2 223.276 0.793 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501508 359383399 /nfs/dbraw/zinc/38/33/99/359383399.db2.gz DDWDAMZRBILBFT-CSMHCCOUSA-N 1 2 231.271 0.250 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501508 359383402 /nfs/dbraw/zinc/38/34/02/359383402.db2.gz DDWDAMZRBILBFT-CSMHCCOUSA-N 1 2 231.271 0.250 20 0 BCADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502137 359384702 /nfs/dbraw/zinc/38/47/02/359384702.db2.gz NWZNMQZUTDJOGU-BDAKNGLRSA-N 1 2 245.298 0.512 20 0 BCADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502137 359384705 /nfs/dbraw/zinc/38/47/05/359384705.db2.gz NWZNMQZUTDJOGU-BDAKNGLRSA-N 1 2 245.298 0.512 20 0 BCADLO CC[C@H](C(=O)OC)N1CCn2cc(C)[nH+]c2C1 ZINC000611802055 359450971 /nfs/dbraw/zinc/45/09/71/359450971.db2.gz JGFNDISDFXLWFK-SNVBAGLBSA-N 1 2 237.303 0.959 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)OC ZINC000611792309 359452126 /nfs/dbraw/zinc/45/21/26/359452126.db2.gz KMAXLAZCBGSTPE-NXEZZACHSA-N 1 2 233.308 0.531 20 0 BCADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)OC ZINC000611792309 359452130 /nfs/dbraw/zinc/45/21/30/359452130.db2.gz KMAXLAZCBGSTPE-NXEZZACHSA-N 1 2 233.308 0.531 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611855133 359468577 /nfs/dbraw/zinc/46/85/77/359468577.db2.gz XSHBSWDYCAQOOB-OPRDCNLKSA-N 1 2 237.303 0.363 20 0 BCADLO CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171002944 359526620 /nfs/dbraw/zinc/52/66/20/359526620.db2.gz NPYMJQDNTHKPHJ-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171002944 359526626 /nfs/dbraw/zinc/52/66/26/359526626.db2.gz NPYMJQDNTHKPHJ-UHFFFAOYSA-N 1 2 243.351 0.806 20 0 BCADLO [NH3+][C@@H](C(=O)N1CCCC1)c1cscn1 ZINC000580439358 359549268 /nfs/dbraw/zinc/54/92/68/359549268.db2.gz WNGGZNQNIUXCFB-MRVPVSSYSA-N 1 2 211.290 0.765 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000332959428 359531255 /nfs/dbraw/zinc/53/12/55/359531255.db2.gz PSQUNKBNMWXREA-MXWKQRLJSA-N 1 2 249.314 0.739 20 0 BCADLO COCc1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000580461970 359568932 /nfs/dbraw/zinc/56/89/32/359568932.db2.gz LVRHROWSWHKSOX-HTQZYQBOSA-N 1 2 241.291 0.465 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cscn1 ZINC000450800425 202270712 /nfs/dbraw/zinc/27/07/12/202270712.db2.gz YBILKCKAWZXYHV-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cscn1 ZINC000450800425 202270715 /nfs/dbraw/zinc/27/07/15/202270715.db2.gz YBILKCKAWZXYHV-SECBINFHSA-N 1 2 239.344 0.848 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnn[nH]2)CC[C@@H]1C ZINC000450821348 202274422 /nfs/dbraw/zinc/27/44/22/202274422.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnn[nH]2)CC[C@@H]1C ZINC000450821348 202274425 /nfs/dbraw/zinc/27/44/25/202274425.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@H+](Cc2c[nH]nn2)CC[C@@H]1C ZINC000450821348 202274426 /nfs/dbraw/zinc/27/44/26/202274426.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2c[nH]nn2)CC[C@@H]1C ZINC000450821348 202274429 /nfs/dbraw/zinc/27/44/29/202274429.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cn[nH]n2)CC[C@@H]1C ZINC000450821348 202274431 /nfs/dbraw/zinc/27/44/31/202274431.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cn[nH]n2)CC[C@@H]1C ZINC000450821348 202274434 /nfs/dbraw/zinc/27/44/34/202274434.db2.gz AHOLATSDFMAHSR-WPRPVWTQSA-N 1 2 210.281 0.662 20 0 BCADLO CC[C@]1(C)C[N@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450834363 202280171 /nfs/dbraw/zinc/28/01/71/202280171.db2.gz UWQHATYNXJHCAG-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@]1(C)C[N@@H+](C[C@@H](C)S(C)(=O)=O)CCO1 ZINC000450834363 202280175 /nfs/dbraw/zinc/28/01/75/202280175.db2.gz UWQHATYNXJHCAG-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612382316 359817239 /nfs/dbraw/zinc/81/72/39/359817239.db2.gz PNLISRMUMNJGSH-SECBINFHSA-N 1 2 249.314 0.403 20 0 BCADLO O=C(NCC1(CO)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612382316 359817242 /nfs/dbraw/zinc/81/72/42/359817242.db2.gz PNLISRMUMNJGSH-SECBINFHSA-N 1 2 249.314 0.403 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(CO)CC1 ZINC000612382996 359818386 /nfs/dbraw/zinc/81/83/86/359818386.db2.gz UVTATAWEJLYFFL-NXEZZACHSA-N 1 2 249.314 0.412 20 0 BCADLO Cc1nc(N[C@@H]2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000450922013 202309951 /nfs/dbraw/zinc/30/99/51/202309951.db2.gz BLFGDMVFPFUCLY-DTWKUNHWSA-N 1 2 220.276 0.851 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612352011 359805697 /nfs/dbraw/zinc/80/56/97/359805697.db2.gz YAFVFJSSOHANCG-BXKDBHETSA-N 1 2 249.314 0.402 20 0 BCADLO O=C(NC[C@@H](O)C1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612352011 359805703 /nfs/dbraw/zinc/80/57/03/359805703.db2.gz YAFVFJSSOHANCG-BXKDBHETSA-N 1 2 249.314 0.402 20 0 BCADLO CCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000578451411 366572606 /nfs/dbraw/zinc/57/26/06/366572606.db2.gz DSMILTWKLSSQIU-SNVBAGLBSA-N 1 2 239.319 0.819 20 0 BCADLO CCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000578451411 366572609 /nfs/dbraw/zinc/57/26/09/366572609.db2.gz DSMILTWKLSSQIU-SNVBAGLBSA-N 1 2 239.319 0.819 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCNC1=O)C(C)C ZINC000578495712 366579274 /nfs/dbraw/zinc/57/92/74/366579274.db2.gz VOWMFLYPNYORFU-VHSXEESVSA-N 1 2 242.319 0.300 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CC1 ZINC000612455052 359848985 /nfs/dbraw/zinc/84/89/85/359848985.db2.gz JTLVVGJPRIAUCP-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CC1 ZINC000612455052 359848988 /nfs/dbraw/zinc/84/89/88/359848988.db2.gz JTLVVGJPRIAUCP-VIFPVBQESA-N 1 2 249.314 0.498 20 0 BCADLO CCOCCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121213 202356484 /nfs/dbraw/zinc/35/64/84/202356484.db2.gz PTPGRDGJTYRBPN-UHFFFAOYSA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121213 202356487 /nfs/dbraw/zinc/35/64/87/202356487.db2.gz PTPGRDGJTYRBPN-UHFFFAOYSA-N 1 2 244.335 0.248 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451118163 202356786 /nfs/dbraw/zinc/35/67/86/202356786.db2.gz XJDQYMZDCXRQCL-UHFFFAOYSA-N 1 2 228.336 0.868 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451118163 202356790 /nfs/dbraw/zinc/35/67/90/202356790.db2.gz XJDQYMZDCXRQCL-UHFFFAOYSA-N 1 2 228.336 0.868 20 0 BCADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451121489 202356958 /nfs/dbraw/zinc/35/69/58/202356958.db2.gz OKAJMIPAVHGVMG-NSHDSACASA-N 1 2 246.282 0.100 20 0 BCADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451121489 202356962 /nfs/dbraw/zinc/35/69/62/202356962.db2.gz OKAJMIPAVHGVMG-NSHDSACASA-N 1 2 246.282 0.100 20 0 BCADLO CC(C)N(CC[N@@H+]1CCO[C@@H](C)C1)C1COC1 ZINC000451121252 202357232 /nfs/dbraw/zinc/35/72/32/202357232.db2.gz QFIQLCCEIXYZMQ-LBPRGKRZSA-N 1 2 242.363 0.816 20 0 BCADLO CC(C)N(CC[N@H+]1CCO[C@@H](C)C1)C1COC1 ZINC000451121252 202357236 /nfs/dbraw/zinc/35/72/36/202357236.db2.gz QFIQLCCEIXYZMQ-LBPRGKRZSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@H](C[N@H+](C1CC1)C1COC1)CS(C)(=O)=O ZINC000451124948 202359526 /nfs/dbraw/zinc/35/95/26/202359526.db2.gz HDCYYFMUXTUTKS-SECBINFHSA-N 1 2 247.360 0.530 20 0 BCADLO C[C@H](C[N@@H+](C1CC1)C1COC1)CS(C)(=O)=O ZINC000451124948 202359528 /nfs/dbraw/zinc/35/95/28/202359528.db2.gz HDCYYFMUXTUTKS-SECBINFHSA-N 1 2 247.360 0.530 20 0 BCADLO CCOCCNC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451132026 202363689 /nfs/dbraw/zinc/36/36/89/202363689.db2.gz UJCTVRLRLBOTGW-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO CCOCCNC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451132026 202363691 /nfs/dbraw/zinc/36/36/91/202363691.db2.gz UJCTVRLRLBOTGW-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451190384 202372887 /nfs/dbraw/zinc/37/28/87/202372887.db2.gz QFKNKMFPWCNTMM-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451190384 202372890 /nfs/dbraw/zinc/37/28/90/202372890.db2.gz QFKNKMFPWCNTMM-GHMZBOCLSA-N 1 2 246.326 0.962 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451184262 202373991 /nfs/dbraw/zinc/37/39/91/202373991.db2.gz JYPMUOZYNISGMG-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451184262 202373993 /nfs/dbraw/zinc/37/39/93/202373993.db2.gz JYPMUOZYNISGMG-SECBINFHSA-N 1 2 218.272 0.183 20 0 BCADLO O=C(C[C@H]1CCCCO1)NCc1c[nH+]c[nH]1 ZINC000087263123 359904593 /nfs/dbraw/zinc/90/45/93/359904593.db2.gz BHLHXPRHDLKDRD-SNVBAGLBSA-N 1 2 223.276 0.985 20 0 BCADLO O=C(C[C@H]1CCCCO1)NCc1c[nH]c[nH+]1 ZINC000087263123 359904599 /nfs/dbraw/zinc/90/45/99/359904599.db2.gz BHLHXPRHDLKDRD-SNVBAGLBSA-N 1 2 223.276 0.985 20 0 BCADLO CCN(CC[N@@H+]1CCOC[C@H]1C)C1COC1 ZINC000451288276 202396274 /nfs/dbraw/zinc/39/62/74/202396274.db2.gz SQXPVLJDMPTDRT-LLVKDONJSA-N 1 2 228.336 0.428 20 0 BCADLO CCN(CC[N@H+]1CCOC[C@H]1C)C1COC1 ZINC000451288276 202396278 /nfs/dbraw/zinc/39/62/78/202396278.db2.gz SQXPVLJDMPTDRT-LLVKDONJSA-N 1 2 228.336 0.428 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC)C1COC1 ZINC000451288942 202398441 /nfs/dbraw/zinc/39/84/41/202398441.db2.gz UUEKSXZOWSYGNM-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC)C1COC1 ZINC000451288942 202398444 /nfs/dbraw/zinc/39/84/44/202398444.db2.gz UUEKSXZOWSYGNM-VIFPVBQESA-N 1 2 214.309 0.622 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000578569552 366598497 /nfs/dbraw/zinc/59/84/97/366598497.db2.gz VZAUVDAMOVNYHH-IUCAKERBSA-N 1 2 207.277 0.829 20 0 BCADLO C[C@@H]1[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000578569551 366599177 /nfs/dbraw/zinc/59/91/77/366599177.db2.gz VZAUVDAMOVNYHH-DTWKUNHWSA-N 1 2 207.277 0.829 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)o1 ZINC000578594063 366602911 /nfs/dbraw/zinc/60/29/11/366602911.db2.gz SZUKJCKVRXKKRD-VHSXEESVSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)o1 ZINC000578594063 366602915 /nfs/dbraw/zinc/60/29/15/366602915.db2.gz SZUKJCKVRXKKRD-VHSXEESVSA-N 1 2 226.276 0.158 20 0 BCADLO CCCCNC(=O)C[N@H+](CC)C1COC1 ZINC000451281279 202393579 /nfs/dbraw/zinc/39/35/79/202393579.db2.gz AMICRGJELXOWGU-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO CCCCNC(=O)C[N@@H+](CC)C1COC1 ZINC000451281279 202393581 /nfs/dbraw/zinc/39/35/81/202393581.db2.gz AMICRGJELXOWGU-UHFFFAOYSA-N 1 2 214.309 0.623 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H](O)C1 ZINC000612637176 359958309 /nfs/dbraw/zinc/95/83/09/359958309.db2.gz ZMGPTFDWFOJCAN-AOOOYVTPSA-N 1 2 223.276 0.303 20 0 BCADLO O=C(Cc1cccc(O)c1)NCc1c[nH+]c[nH]1 ZINC000088751531 359975967 /nfs/dbraw/zinc/97/59/67/359975967.db2.gz LVGPYQMLABBLDV-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO O=C(Cc1cccc(O)c1)NCc1c[nH]c[nH+]1 ZINC000088751531 359975972 /nfs/dbraw/zinc/97/59/72/359975972.db2.gz LVGPYQMLABBLDV-UHFFFAOYSA-N 1 2 231.255 0.974 20 0 BCADLO CNC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000578937581 366676939 /nfs/dbraw/zinc/67/69/39/366676939.db2.gz YQTBVESCDRBENP-UHFFFAOYSA-N 1 2 249.318 0.683 20 0 BCADLO NC(=O)c1cccc(C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000089679173 360033564 /nfs/dbraw/zinc/03/35/64/360033564.db2.gz OVBMGZHFLQOEII-UHFFFAOYSA-N 1 2 246.310 0.742 20 0 BCADLO CCCCNC(=O)[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000089678406 360033669 /nfs/dbraw/zinc/03/36/69/360033669.db2.gz JSBSSZVPVQXVRR-JTQLQIEISA-N 1 2 240.347 0.748 20 0 BCADLO COC[C@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000612746912 360040303 /nfs/dbraw/zinc/04/03/03/360040303.db2.gz KBJQOMWYXDCYTJ-NSHDSACASA-N 1 2 238.287 0.720 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000612793423 360060491 /nfs/dbraw/zinc/06/04/91/360060491.db2.gz JKVABAMUUCHAIY-ONGXEEELSA-N 1 2 249.314 0.929 20 0 BCADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000612793420 360060550 /nfs/dbraw/zinc/06/05/50/360060550.db2.gz JKVABAMUUCHAIY-KOLCDFICSA-N 1 2 249.314 0.929 20 0 BCADLO CCCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090656699 360081909 /nfs/dbraw/zinc/08/19/09/360081909.db2.gz JQBYZVWIWGCPKI-UHFFFAOYSA-N 1 2 224.308 0.588 20 0 BCADLO CCCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090656699 360081913 /nfs/dbraw/zinc/08/19/13/360081913.db2.gz JQBYZVWIWGCPKI-UHFFFAOYSA-N 1 2 224.308 0.588 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212288 360108175 /nfs/dbraw/zinc/10/81/75/360108175.db2.gz CMHPKEYUIAQTOG-SNVBAGLBSA-N 1 2 245.282 0.869 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612860913 360126045 /nfs/dbraw/zinc/12/60/45/360126045.db2.gz NQZGEZGMDQYXMA-DTWKUNHWSA-N 1 2 235.287 0.420 20 0 BCADLO O=C(N[C@@H]1CCOC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612860913 360126050 /nfs/dbraw/zinc/12/60/50/360126050.db2.gz NQZGEZGMDQYXMA-DTWKUNHWSA-N 1 2 235.287 0.420 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000092229380 360156619 /nfs/dbraw/zinc/15/66/19/360156619.db2.gz ZAHSZVUSEUTKAX-RKDXNWHRSA-N 1 2 200.282 0.219 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCOC[C@@H]1C(N)=O ZINC000092229380 360156627 /nfs/dbraw/zinc/15/66/27/360156627.db2.gz ZAHSZVUSEUTKAX-RKDXNWHRSA-N 1 2 200.282 0.219 20 0 BCADLO CNC(=O)c1ccc(NCc2[nH+]ccn2C)nn1 ZINC000092209771 360157203 /nfs/dbraw/zinc/15/72/03/360157203.db2.gz SJXAUJWRJFFKSJ-UHFFFAOYSA-N 1 2 246.274 0.182 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612920750 360181565 /nfs/dbraw/zinc/18/15/65/360181565.db2.gz KYAZNDXNRKJPGC-BDAKNGLRSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612920750 360181569 /nfs/dbraw/zinc/18/15/69/360181569.db2.gz KYAZNDXNRKJPGC-BDAKNGLRSA-N 1 2 237.303 0.354 20 0 BCADLO CC1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614026822 363709216 /nfs/dbraw/zinc/70/92/16/363709216.db2.gz UKHDTDDLWZSJEZ-VIFPVBQESA-N 1 2 219.288 0.993 20 0 BCADLO CC1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614026822 363709222 /nfs/dbraw/zinc/70/92/22/363709222.db2.gz UKHDTDDLWZSJEZ-VIFPVBQESA-N 1 2 219.288 0.993 20 0 BCADLO COC(=O)[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000093083304 360215057 /nfs/dbraw/zinc/21/50/57/360215057.db2.gz IODSAUFPUWESCZ-LLVKDONJSA-N 1 2 238.287 0.399 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000093083304 360215060 /nfs/dbraw/zinc/21/50/60/360215060.db2.gz IODSAUFPUWESCZ-LLVKDONJSA-N 1 2 238.287 0.399 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1O ZINC000093092144 360218869 /nfs/dbraw/zinc/21/88/69/360218869.db2.gz KUYMBNIJQHMWIK-PHIMTYICSA-N 1 2 233.271 0.100 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1O ZINC000093092144 360218872 /nfs/dbraw/zinc/21/88/72/360218872.db2.gz KUYMBNIJQHMWIK-PHIMTYICSA-N 1 2 233.271 0.100 20 0 BCADLO Cn1cccc1C[N@H+](C)Cc1cnnn1C ZINC000093584321 360257207 /nfs/dbraw/zinc/25/72/07/360257207.db2.gz MQNLGZCMXMMDDK-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO Cn1cccc1C[N@@H+](C)Cc1cnnn1C ZINC000093584321 360257209 /nfs/dbraw/zinc/25/72/09/360257209.db2.gz MQNLGZCMXMMDDK-UHFFFAOYSA-N 1 2 219.292 0.786 20 0 BCADLO C[C@H]1OCC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC000093417742 360240982 /nfs/dbraw/zinc/24/09/82/360240982.db2.gz GDKVSLXNIGGIEA-RKDXNWHRSA-N 1 2 210.281 0.424 20 0 BCADLO C[C@H]1OCC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC000093417742 360240988 /nfs/dbraw/zinc/24/09/88/360240988.db2.gz GDKVSLXNIGGIEA-RKDXNWHRSA-N 1 2 210.281 0.424 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000093639968 360264004 /nfs/dbraw/zinc/26/40/04/360264004.db2.gz RHFGCIDBULYFFT-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC2(CCC2)C1 ZINC000093639968 360264009 /nfs/dbraw/zinc/26/40/09/360264009.db2.gz RHFGCIDBULYFFT-UHFFFAOYSA-N 1 2 222.292 0.570 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000093645242 360265685 /nfs/dbraw/zinc/26/56/85/360265685.db2.gz NTYJKFMKYFPAFU-NSHDSACASA-N 1 2 222.292 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000093645242 360265692 /nfs/dbraw/zinc/26/56/92/360265692.db2.gz NTYJKFMKYFPAFU-NSHDSACASA-N 1 2 222.292 0.426 20 0 BCADLO Cn1nncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000093645241 360265945 /nfs/dbraw/zinc/26/59/45/360265945.db2.gz NTYJKFMKYFPAFU-LLVKDONJSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1nncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000093645241 360265948 /nfs/dbraw/zinc/26/59/48/360265948.db2.gz NTYJKFMKYFPAFU-LLVKDONJSA-N 1 2 222.292 0.426 20 0 BCADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1CO ZINC000613023336 360290115 /nfs/dbraw/zinc/29/01/15/360290115.db2.gz DNFBWLDNBLGEBG-NXEZZACHSA-N 1 2 249.314 0.498 20 0 BCADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1CO ZINC000613023336 360290117 /nfs/dbraw/zinc/29/01/17/360290117.db2.gz DNFBWLDNBLGEBG-NXEZZACHSA-N 1 2 249.314 0.498 20 0 BCADLO CCO[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000058953012 360399192 /nfs/dbraw/zinc/39/91/92/360399192.db2.gz ZVSHXPWTTQAWPH-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CO1 ZINC000514863635 360416194 /nfs/dbraw/zinc/41/61/94/360416194.db2.gz UWYZKTXYYMVJFQ-RKDXNWHRSA-N 1 2 209.249 0.177 20 0 BCADLO C[N@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319972 360453711 /nfs/dbraw/zinc/45/37/11/360453711.db2.gz XTLOEOCDHDYXNR-UHFFFAOYSA-N 1 2 210.281 0.039 20 0 BCADLO C[N@@H+](CCO)Cc1nnc2n1CCCC2 ZINC000226319972 360453714 /nfs/dbraw/zinc/45/37/14/360453714.db2.gz XTLOEOCDHDYXNR-UHFFFAOYSA-N 1 2 210.281 0.039 20 0 BCADLO C[C@H](C(=O)Nc1cc[nH]n1)[NH+]1CCSCC1 ZINC000133272987 491149756 /nfs/dbraw/zinc/14/97/56/491149756.db2.gz VENTWHSFQGUIQL-MRVPVSSYSA-N 1 2 240.332 0.786 20 0 BCADLO COc1cc(NC(=O)CCn2cc[nH+]c2)[nH]n1 ZINC000628625670 360577437 /nfs/dbraw/zinc/57/74/37/360577437.db2.gz JGDSZHCEBZZGMP-UHFFFAOYSA-N 1 2 235.247 0.644 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CCCO2 ZINC000628790570 360655908 /nfs/dbraw/zinc/65/59/08/360655908.db2.gz RNBJCDPFGODLIN-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CCCO2 ZINC000628790570 360655912 /nfs/dbraw/zinc/65/59/12/360655912.db2.gz RNBJCDPFGODLIN-UHFFFAOYSA-N 1 2 235.287 0.734 20 0 BCADLO CCC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912120 360744775 /nfs/dbraw/zinc/74/47/75/360744775.db2.gz BJSJQDPQOQTXPK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912120 360744778 /nfs/dbraw/zinc/74/47/78/360744778.db2.gz BJSJQDPQOQTXPK-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000628914798 360748400 /nfs/dbraw/zinc/74/84/00/360748400.db2.gz MLXYHXJMIGVFSL-MNOVXSKESA-N 1 2 244.335 0.104 20 0 BCADLO CO[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C(C)C ZINC000628914798 360748405 /nfs/dbraw/zinc/74/84/05/360748405.db2.gz MLXYHXJMIGVFSL-MNOVXSKESA-N 1 2 244.335 0.104 20 0 BCADLO CO[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C(C)C ZINC000628914800 360749111 /nfs/dbraw/zinc/74/91/11/360749111.db2.gz MLXYHXJMIGVFSL-WDEREUQCSA-N 1 2 244.335 0.104 20 0 BCADLO CO[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)C(C)C ZINC000628914800 360749115 /nfs/dbraw/zinc/74/91/15/360749115.db2.gz MLXYHXJMIGVFSL-WDEREUQCSA-N 1 2 244.335 0.104 20 0 BCADLO CCCCOCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915771 360749757 /nfs/dbraw/zinc/74/97/57/360749757.db2.gz DUNRGWXOOFOYJF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCCCOCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915771 360749758 /nfs/dbraw/zinc/74/97/58/360749758.db2.gz DUNRGWXOOFOYJF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918571 360751152 /nfs/dbraw/zinc/75/11/52/360751152.db2.gz REHGFHOOKNWRBP-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO CCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918571 360751156 /nfs/dbraw/zinc/75/11/56/360751156.db2.gz REHGFHOOKNWRBP-GHMZBOCLSA-N 1 2 228.336 0.869 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CCC1 ZINC000628916167 360751486 /nfs/dbraw/zinc/75/14/86/360751486.db2.gz CGCIUBSERHJQBC-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1CCC1 ZINC000628916167 360751492 /nfs/dbraw/zinc/75/14/92/360751492.db2.gz CGCIUBSERHJQBC-NSHDSACASA-N 1 2 226.320 0.623 20 0 BCADLO CC1=C(C(=O)NC[C@H]2COCC[N@H+]2C)CCC1 ZINC000628917437 360752195 /nfs/dbraw/zinc/75/21/95/360752195.db2.gz KISAAXJMDGOUPD-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO CC1=C(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC1 ZINC000628917437 360752201 /nfs/dbraw/zinc/75/22/01/360752201.db2.gz KISAAXJMDGOUPD-NSHDSACASA-N 1 2 238.331 0.934 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000628917510 360753126 /nfs/dbraw/zinc/75/31/26/360753126.db2.gz JJOCDIAVSVYCIL-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000628917510 360753127 /nfs/dbraw/zinc/75/31/27/360753127.db2.gz JJOCDIAVSVYCIL-GHMZBOCLSA-N 1 2 238.331 0.623 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000628921459 360754515 /nfs/dbraw/zinc/75/45/15/360754515.db2.gz ZTDVIAFSJKDCPY-MWLCHTKSSA-N 1 2 226.320 0.479 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000628921459 360754520 /nfs/dbraw/zinc/75/45/20/360754520.db2.gz ZTDVIAFSJKDCPY-MWLCHTKSSA-N 1 2 226.320 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCO1 ZINC000628922787 360755227 /nfs/dbraw/zinc/75/52/27/360755227.db2.gz PGMITGNLSVWTOH-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCO1 ZINC000628922787 360755229 /nfs/dbraw/zinc/75/52/29/360755229.db2.gz PGMITGNLSVWTOH-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO CC[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922743 360755502 /nfs/dbraw/zinc/75/55/02/360755502.db2.gz OEVCJZWRXFOQNC-VHSXEESVSA-N 1 2 214.309 0.479 20 0 BCADLO CC[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922743 360755506 /nfs/dbraw/zinc/75/55/06/360755506.db2.gz OEVCJZWRXFOQNC-VHSXEESVSA-N 1 2 214.309 0.479 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COC(C)(C)C ZINC000628919644 360755827 /nfs/dbraw/zinc/75/58/27/360755827.db2.gz UGYCKQOTXHWJRG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COC(C)(C)C ZINC000628919644 360755833 /nfs/dbraw/zinc/75/58/33/360755833.db2.gz UGYCKQOTXHWJRG-JTQLQIEISA-N 1 2 244.335 0.248 20 0 BCADLO CCOCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923971 360756397 /nfs/dbraw/zinc/75/63/97/360756397.db2.gz XHAGAFCHZPCMDT-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO CCOCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923971 360756400 /nfs/dbraw/zinc/75/64/00/360756400.db2.gz XHAGAFCHZPCMDT-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO Cc1occc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925932 360757612 /nfs/dbraw/zinc/75/76/12/360757612.db2.gz OGEPGVBXLCMQRA-SNVBAGLBSA-N 1 2 238.287 0.648 20 0 BCADLO Cc1occc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925932 360757616 /nfs/dbraw/zinc/75/76/16/360757616.db2.gz OGEPGVBXLCMQRA-SNVBAGLBSA-N 1 2 238.287 0.648 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000628924815 360757812 /nfs/dbraw/zinc/75/78/12/360757812.db2.gz GRPAHQSTMMWLGU-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000628924815 360757817 /nfs/dbraw/zinc/75/78/17/360757817.db2.gz GRPAHQSTMMWLGU-GFCCVEGCSA-N 1 2 249.314 0.450 20 0 BCADLO CCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925136 360758221 /nfs/dbraw/zinc/75/82/21/360758221.db2.gz GWEVAMYYJDGNES-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO CCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925136 360758227 /nfs/dbraw/zinc/75/82/27/360758227.db2.gz GWEVAMYYJDGNES-SECBINFHSA-N 1 2 200.282 0.233 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C ZINC000628926837 360759604 /nfs/dbraw/zinc/75/96/04/360759604.db2.gz UGPLYZYOEHGPFL-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C ZINC000628926837 360759606 /nfs/dbraw/zinc/75/96/06/360759606.db2.gz UGPLYZYOEHGPFL-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO Cc1cc(NCc2nccc(N)n2)nc[nH+]1 ZINC000154284746 360792312 /nfs/dbraw/zinc/79/23/12/360792312.db2.gz KKJVMGAIMAYXGF-UHFFFAOYSA-N 1 2 216.248 0.769 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H](CCF)C1 ZINC000629012127 360794319 /nfs/dbraw/zinc/79/43/19/360794319.db2.gz FDGAWRHEKDKSKZ-JTQLQIEISA-N 1 2 241.266 0.470 20 0 BCADLO C/C=C\CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000629044695 360843839 /nfs/dbraw/zinc/84/38/39/360843839.db2.gz YIRHBZWXTRDKQG-WAYWQWQTSA-N 1 2 241.335 0.135 20 0 BCADLO C/C=C\CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000629044695 360843842 /nfs/dbraw/zinc/84/38/42/360843842.db2.gz YIRHBZWXTRDKQG-WAYWQWQTSA-N 1 2 241.335 0.135 20 0 BCADLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2CCCF)n1 ZINC000375263409 181313772 /nfs/dbraw/zinc/31/37/72/181313772.db2.gz LDMABSWINGBINT-ZETCQYMHSA-N 1 2 242.254 0.665 20 0 BCADLO NC(=O)c1noc([C@@H]2CCC[N@H+]2CCCF)n1 ZINC000375263409 181313775 /nfs/dbraw/zinc/31/37/75/181313775.db2.gz LDMABSWINGBINT-ZETCQYMHSA-N 1 2 242.254 0.665 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629142781 360900500 /nfs/dbraw/zinc/90/05/00/360900500.db2.gz HPXBVQWMOCYCJK-ZYHUDNBSSA-N 1 2 249.314 0.646 20 0 BCADLO NC(=O)C1([NH2+]Cc2csnn2)CCCCC1 ZINC000309611885 491152443 /nfs/dbraw/zinc/15/24/43/491152443.db2.gz ZQBXEVKVYCBTCQ-UHFFFAOYSA-N 1 2 240.332 0.816 20 0 BCADLO C[C@H]1CCN(C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000632578099 361033552 /nfs/dbraw/zinc/03/35/52/361033552.db2.gz NEYXOLCYBKAUKT-WDEREUQCSA-N 1 2 241.335 0.057 20 0 BCADLO C[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000632578099 361033558 /nfs/dbraw/zinc/03/35/58/361033558.db2.gz NEYXOLCYBKAUKT-WDEREUQCSA-N 1 2 241.335 0.057 20 0 BCADLO O=C(CCC1(O)CCC1)NCCc1[nH]cc[nH+]1 ZINC000631208473 361063333 /nfs/dbraw/zinc/06/33/33/361063333.db2.gz ZMGJXGMMQCQBEJ-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCC1 ZINC000629456460 361079937 /nfs/dbraw/zinc/07/99/37/361079937.db2.gz BBXAVHIXHCXWRR-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCC1 ZINC000629456460 361079940 /nfs/dbraw/zinc/07/99/40/361079940.db2.gz BBXAVHIXHCXWRR-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640479137 361249324 /nfs/dbraw/zinc/24/93/24/361249324.db2.gz XQFIIFHRXFIWDL-VAOFZXAKSA-N 1 2 223.276 0.760 20 0 BCADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640479137 361249325 /nfs/dbraw/zinc/24/93/25/361249325.db2.gz XQFIIFHRXFIWDL-VAOFZXAKSA-N 1 2 223.276 0.760 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000066370414 361213284 /nfs/dbraw/zinc/21/32/84/361213284.db2.gz HXGSFRLWVRGOEF-UHFFFAOYSA-N 1 2 246.314 0.742 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H](C)CCO)[nH+]1 ZINC000309725697 491155101 /nfs/dbraw/zinc/15/51/01/491155101.db2.gz DBJHNLNJUBPJQC-SSDOTTSWSA-N 1 2 225.296 0.429 20 0 BCADLO Cc1nc(N[C@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000309725697 491155102 /nfs/dbraw/zinc/15/51/02/491155102.db2.gz DBJHNLNJUBPJQC-SSDOTTSWSA-N 1 2 225.296 0.429 20 0 BCADLO Cc1nocc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000640485515 361278943 /nfs/dbraw/zinc/27/89/43/361278943.db2.gz INWQLASQTINNAI-VIFPVBQESA-N 1 2 225.248 0.252 20 0 BCADLO Cc1nocc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000640485515 361278947 /nfs/dbraw/zinc/27/89/47/361278947.db2.gz INWQLASQTINNAI-VIFPVBQESA-N 1 2 225.248 0.252 20 0 BCADLO CC(C)(C)n1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488709 361281294 /nfs/dbraw/zinc/28/12/94/361281294.db2.gz VOEVAJXTBYMGRX-CABZTGNLSA-N 1 2 236.319 0.600 20 0 BCADLO CC(C)(C)n1ncnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488709 361281299 /nfs/dbraw/zinc/28/12/99/361281299.db2.gz VOEVAJXTBYMGRX-CABZTGNLSA-N 1 2 236.319 0.600 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC000640489412 361282376 /nfs/dbraw/zinc/28/23/76/361282376.db2.gz XRETZQGTKFAXMO-CABZTGNLSA-N 1 2 235.287 0.904 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC000640489412 361282384 /nfs/dbraw/zinc/28/23/84/361282384.db2.gz XRETZQGTKFAXMO-CABZTGNLSA-N 1 2 235.287 0.904 20 0 BCADLO CN(C)C(=O)CCC[N@H+](C)Cc1nnc[nH]1 ZINC000578999771 366691153 /nfs/dbraw/zinc/69/11/53/366691153.db2.gz FACHYEVHKVLUHJ-UHFFFAOYSA-N 1 2 225.296 0.105 20 0 BCADLO CN(C)C(=O)CCC[N@@H+](C)Cc1nnc[nH]1 ZINC000578999771 366691156 /nfs/dbraw/zinc/69/11/56/366691156.db2.gz FACHYEVHKVLUHJ-UHFFFAOYSA-N 1 2 225.296 0.105 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640481995 361267537 /nfs/dbraw/zinc/26/75/37/361267537.db2.gz PBPWIICXWULHMV-GMSGAONNSA-N 1 2 225.317 0.667 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640481995 361267540 /nfs/dbraw/zinc/26/75/40/361267540.db2.gz PBPWIICXWULHMV-GMSGAONNSA-N 1 2 225.317 0.667 20 0 BCADLO CSC[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000579064488 366703173 /nfs/dbraw/zinc/70/31/73/366703173.db2.gz IUWUEZXDXANYMO-VIFPVBQESA-N 1 2 243.332 0.113 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCOC1 ZINC000579064832 366703199 /nfs/dbraw/zinc/70/31/99/366703199.db2.gz LNADKOJJORBTJD-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)nn1 ZINC000428299215 201007566 /nfs/dbraw/zinc/00/75/66/201007566.db2.gz DPAOJXRMWOEAEL-MWLCHTKSSA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)nn1 ZINC000428299215 201007568 /nfs/dbraw/zinc/00/75/68/201007568.db2.gz DPAOJXRMWOEAEL-MWLCHTKSSA-N 1 2 224.308 0.672 20 0 BCADLO CC[C@@](C)([NH2+]C[C@H](O)COC(C)C)C(=O)OC ZINC000428298171 201008257 /nfs/dbraw/zinc/00/82/57/201008257.db2.gz DOYRQUULULCKDH-CMPLNLGQSA-N 1 2 247.335 0.704 20 0 BCADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2CCO)[nH]1 ZINC000428358345 201011828 /nfs/dbraw/zinc/01/18/28/201011828.db2.gz CMQPOQXVKUZOAH-VIFPVBQESA-N 1 2 242.348 0.413 20 0 BCADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2CCO)[nH]1 ZINC000428358345 201011831 /nfs/dbraw/zinc/01/18/31/201011831.db2.gz CMQPOQXVKUZOAH-VIFPVBQESA-N 1 2 242.348 0.413 20 0 BCADLO CC[C@](C)([NH2+]Cc1nnc(C(C)C)[nH]1)C(N)=O ZINC000428382564 201013005 /nfs/dbraw/zinc/01/30/05/201013005.db2.gz JNHOUFYFPKXPCF-NSHDSACASA-N 1 2 239.323 0.672 20 0 BCADLO C[C@H](O)CCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000579234207 366740790 /nfs/dbraw/zinc/74/07/90/366740790.db2.gz RJVALQMVXPAJPL-IONNQARKSA-N 1 2 243.332 0.372 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000579234208 366740861 /nfs/dbraw/zinc/74/08/61/366740861.db2.gz RJVALQMVXPAJPL-VXNVDRBHSA-N 1 2 243.332 0.372 20 0 BCADLO CCCc1nc(C)c(C[N@H+](C)CC(N)=O)o1 ZINC000428469461 201022809 /nfs/dbraw/zinc/02/28/09/201022809.db2.gz USTKINLUTZEJKC-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO CCCc1nc(C)c(C[N@@H+](C)CC(N)=O)o1 ZINC000428469461 201022811 /nfs/dbraw/zinc/02/28/11/201022811.db2.gz USTKINLUTZEJKC-UHFFFAOYSA-N 1 2 225.292 0.853 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@H]1C ZINC000428479890 201024422 /nfs/dbraw/zinc/02/44/22/201024422.db2.gz JWSXIFVRTLTLCY-IONNQARKSA-N 1 2 238.291 0.497 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@H]1C ZINC000428479890 201024424 /nfs/dbraw/zinc/02/44/24/201024424.db2.gz JWSXIFVRTLTLCY-IONNQARKSA-N 1 2 238.291 0.497 20 0 BCADLO CO[C@H]1C[N@H+](Cc2nnc(C)[nH]2)CC[C@@H]1C ZINC000428500278 201025990 /nfs/dbraw/zinc/02/59/90/201025990.db2.gz YPYNADHJZMWCFD-WPRPVWTQSA-N 1 2 224.308 0.970 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)CC[C@@H]1C ZINC000428500278 201025991 /nfs/dbraw/zinc/02/59/91/201025991.db2.gz YPYNADHJZMWCFD-WPRPVWTQSA-N 1 2 224.308 0.970 20 0 BCADLO Cc1nnc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)[nH]1 ZINC000428940938 201049450 /nfs/dbraw/zinc/04/94/50/201049450.db2.gz SNOWUJKWCMQIEM-SCZZXKLOSA-N 1 2 240.307 0.085 20 0 BCADLO Cc1nnc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)[nH]1 ZINC000428940938 201049453 /nfs/dbraw/zinc/04/94/53/201049453.db2.gz SNOWUJKWCMQIEM-SCZZXKLOSA-N 1 2 240.307 0.085 20 0 BCADLO COCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000079771933 370692170 /nfs/dbraw/zinc/69/21/70/370692170.db2.gz MLVZABUVPRJWTH-UHFFFAOYSA-N 1 2 240.307 0.609 20 0 BCADLO COC(=O)C[C@]1([NH2+]Cc2cocn2)CCOC1 ZINC000428848215 201046043 /nfs/dbraw/zinc/04/60/43/201046043.db2.gz DMJDTGRWUNZGFD-LLVKDONJSA-N 1 2 240.259 0.486 20 0 BCADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cocn2)CC1=O ZINC000428882185 201046836 /nfs/dbraw/zinc/04/68/36/201046836.db2.gz RCRNFFRMUXLRRR-YWVKMMECSA-N 1 2 235.287 0.774 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000429128890 201069715 /nfs/dbraw/zinc/06/97/15/201069715.db2.gz QHPJISMOHRZLLT-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1ccn(C)n1 ZINC000429128890 201069719 /nfs/dbraw/zinc/06/97/19/201069719.db2.gz QHPJISMOHRZLLT-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@H](C)C(C)C ZINC000429132281 201070443 /nfs/dbraw/zinc/07/04/43/201070443.db2.gz ZEAWJCPOVWWYLI-SNVBAGLBSA-N 1 2 243.351 0.344 20 0 BCADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)C(C)C ZINC000429132281 201070446 /nfs/dbraw/zinc/07/04/46/201070446.db2.gz ZEAWJCPOVWWYLI-SNVBAGLBSA-N 1 2 243.351 0.344 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000429131200 201070597 /nfs/dbraw/zinc/07/05/97/201070597.db2.gz JDVKITDHJRZMAB-UHFFFAOYSA-N 1 2 247.302 0.427 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cn2cccnc2n1 ZINC000429131200 201070600 /nfs/dbraw/zinc/07/06/00/201070600.db2.gz JDVKITDHJRZMAB-UHFFFAOYSA-N 1 2 247.302 0.427 20 0 BCADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@]1(O)CCOC1 ZINC000614276287 363767927 /nfs/dbraw/zinc/76/79/27/363767927.db2.gz OJKKUYYTBKKDLS-GFCCVEGCSA-N 1 2 247.254 0.424 20 0 BCADLO CCCN(CC(N)=O)Cc1[nH+]ccn1C ZINC000429161125 201076030 /nfs/dbraw/zinc/07/60/30/201076030.db2.gz UYFCFQBLGAOBSO-UHFFFAOYSA-N 1 2 210.281 0.117 20 0 BCADLO COCC(C)(C)[N@H+](C)Cc1ncnn1C ZINC000429234258 201081199 /nfs/dbraw/zinc/08/11/99/201081199.db2.gz BFGPXASVUZKMJJ-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COCC(C)(C)[N@@H+](C)Cc1ncnn1C ZINC000429234258 201081201 /nfs/dbraw/zinc/08/12/01/201081201.db2.gz BFGPXASVUZKMJJ-UHFFFAOYSA-N 1 2 212.297 0.672 20 0 BCADLO COc1ccc[nH+]c1NCc1cn(C)nn1 ZINC000309869240 491157754 /nfs/dbraw/zinc/15/77/54/491157754.db2.gz PWRSNPKBPCNXHZ-UHFFFAOYSA-N 1 2 219.248 0.831 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1nncn1C(C)C ZINC000429289446 201094410 /nfs/dbraw/zinc/09/44/10/201094410.db2.gz CJHZTJGLQATARB-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1nncn1C(C)C ZINC000429289446 201094414 /nfs/dbraw/zinc/09/44/14/201094414.db2.gz CJHZTJGLQATARB-UHFFFAOYSA-N 1 2 239.323 0.427 20 0 BCADLO Cn1cncc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303915 201100148 /nfs/dbraw/zinc/10/01/48/201100148.db2.gz FNJWHKJCBIASIH-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO Cn1cncc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000429303915 201100151 /nfs/dbraw/zinc/10/01/51/201100151.db2.gz FNJWHKJCBIASIH-UHFFFAOYSA-N 1 2 218.264 0.097 20 0 BCADLO COC(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429566256 201113945 /nfs/dbraw/zinc/11/39/45/201113945.db2.gz COGATKZPLPUWBU-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO C[C@@H]1CCN(Cc2[nH]cc[nH+]2)CC[S@@]1=O ZINC000429557861 201115431 /nfs/dbraw/zinc/11/54/31/201115431.db2.gz IBXWPQQDGIBSIY-PSLIRLAXSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]cn2C)CC[S@]1=O ZINC000429571475 201118630 /nfs/dbraw/zinc/11/86/30/201118630.db2.gz DILVOKRUBROJBK-MGPLVRAMSA-N 1 2 241.360 0.763 20 0 BCADLO COC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429566254 201113762 /nfs/dbraw/zinc/11/37/62/201113762.db2.gz COGATKZPLPUWBU-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429566254 201113766 /nfs/dbraw/zinc/11/37/66/201113766.db2.gz COGATKZPLPUWBU-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429566256 201113942 /nfs/dbraw/zinc/11/39/42/201113942.db2.gz COGATKZPLPUWBU-RFAUZJTJSA-N 1 2 233.333 0.392 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCC(=O)C1 ZINC000579478374 366823579 /nfs/dbraw/zinc/82/35/79/366823579.db2.gz YUZJFPBIEZRHOD-ZETCQYMHSA-N 1 2 220.228 0.517 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1csnn1 ZINC000430119405 201143929 /nfs/dbraw/zinc/14/39/29/201143929.db2.gz KPIJBIGBWVWLIZ-CBAPKCEASA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1csnn1 ZINC000430119405 201143932 /nfs/dbraw/zinc/14/39/32/201143932.db2.gz KPIJBIGBWVWLIZ-CBAPKCEASA-N 1 2 213.306 0.883 20 0 BCADLO CCC[N@H+](C)Cc1nnnn1C1CCOCC1 ZINC000432955518 201163409 /nfs/dbraw/zinc/16/34/09/201163409.db2.gz NMEKQLASMYWRLX-UHFFFAOYSA-N 1 2 239.323 0.866 20 0 BCADLO CCC[N@@H+](C)Cc1nnnn1C1CCOCC1 ZINC000432955518 201163411 /nfs/dbraw/zinc/16/34/11/201163411.db2.gz NMEKQLASMYWRLX-UHFFFAOYSA-N 1 2 239.323 0.866 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CCNC(=O)[C@H]2C)[nH+]1 ZINC000433787517 201194846 /nfs/dbraw/zinc/19/48/46/201194846.db2.gz VRWHLFFPUVLOSD-SSDOTTSWSA-N 1 2 245.286 0.591 20 0 BCADLO O[C@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@@H]1O ZINC000433812917 201195825 /nfs/dbraw/zinc/19/58/25/201195825.db2.gz XLARGQWKPPGWPK-RYUDHWBXSA-N 1 2 248.257 0.916 20 0 BCADLO C[C@@H]1C[N@H+](CCOCC2CC2)CC(=O)N1 ZINC000448551646 201226470 /nfs/dbraw/zinc/22/64/70/201226470.db2.gz LHYKLSIZNVIDCY-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO C[C@@H]1C[N@@H+](CCOCC2CC2)CC(=O)N1 ZINC000448551646 201226473 /nfs/dbraw/zinc/22/64/73/201226473.db2.gz LHYKLSIZNVIDCY-SECBINFHSA-N 1 2 212.293 0.233 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000434504876 201224612 /nfs/dbraw/zinc/22/46/12/201224612.db2.gz WLRZWEDCMYPESP-UHFFFAOYSA-N 1 2 247.306 0.535 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000434504876 201224615 /nfs/dbraw/zinc/22/46/15/201224615.db2.gz WLRZWEDCMYPESP-UHFFFAOYSA-N 1 2 247.306 0.535 20 0 BCADLO CC[C@H]1COCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434543677 201225050 /nfs/dbraw/zinc/22/50/50/201225050.db2.gz HWKDSISSEPRRKY-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO CC[C@H]1COCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000434543677 201225052 /nfs/dbraw/zinc/22/50/52/201225052.db2.gz HWKDSISSEPRRKY-MNOVXSKESA-N 1 2 247.360 0.532 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000629688223 361612934 /nfs/dbraw/zinc/61/29/34/361612934.db2.gz HUJIZYLNUCPLDZ-MGCOHNPYSA-N 1 2 223.276 0.636 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000629688223 361612939 /nfs/dbraw/zinc/61/29/39/361612939.db2.gz HUJIZYLNUCPLDZ-MGCOHNPYSA-N 1 2 223.276 0.636 20 0 BCADLO CCOCC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000434636850 201231986 /nfs/dbraw/zinc/23/19/86/201231986.db2.gz JVLQFRRZVCMISB-MRVPVSSYSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@@H]1COCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000434762059 201238275 /nfs/dbraw/zinc/23/82/75/201238275.db2.gz FSZSRUUWEDAKHF-GHMZBOCLSA-N 1 2 237.303 0.672 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@H]1CO2 ZINC000629709875 361643232 /nfs/dbraw/zinc/64/32/32/361643232.db2.gz IRYPLJIVXGVBHS-QWRGUYRKSA-N 1 2 243.266 0.948 20 0 BCADLO Cc1nc(NCc2nccc(N)n2)cc[nH+]1 ZINC000154286033 201273395 /nfs/dbraw/zinc/27/33/95/201273395.db2.gz VRUZHXTVSKXKRJ-UHFFFAOYSA-N 1 2 216.248 0.769 20 0 BCADLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000450221860 201275744 /nfs/dbraw/zinc/27/57/44/201275744.db2.gz XAYDLUYXIBOXGT-WCQYABFASA-N 1 2 248.326 0.583 20 0 BCADLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000450221860 201275748 /nfs/dbraw/zinc/27/57/48/201275748.db2.gz XAYDLUYXIBOXGT-WCQYABFASA-N 1 2 248.326 0.583 20 0 BCADLO CCOC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000154895902 201299306 /nfs/dbraw/zinc/29/93/06/201299306.db2.gz SADKYDVWRQUUKO-SECBINFHSA-N 1 2 233.308 0.315 20 0 BCADLO CSC[C@@H](O)CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000436481491 201328369 /nfs/dbraw/zinc/32/83/69/201328369.db2.gz BFILQLNMNKUJKQ-RYUDHWBXSA-N 1 2 246.420 0.982 20 0 BCADLO CSC[C@@H](O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000436481491 201328372 /nfs/dbraw/zinc/32/83/72/201328372.db2.gz BFILQLNMNKUJKQ-RYUDHWBXSA-N 1 2 246.420 0.982 20 0 BCADLO CC(C)NC(=O)C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000436486905 201329459 /nfs/dbraw/zinc/32/94/59/201329459.db2.gz RXCHJEFFNPNPOX-GFCCVEGCSA-N 1 2 241.379 0.783 20 0 BCADLO CC(C)NC(=O)C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000436486905 201329461 /nfs/dbraw/zinc/32/94/61/201329461.db2.gz RXCHJEFFNPNPOX-GFCCVEGCSA-N 1 2 241.379 0.783 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000436849478 201338666 /nfs/dbraw/zinc/33/86/66/201338666.db2.gz SRUHPUDYJRYMKO-CBAPKCEASA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000436849478 201338669 /nfs/dbraw/zinc/33/86/69/201338669.db2.gz SRUHPUDYJRYMKO-CBAPKCEASA-N 1 2 210.281 0.458 20 0 BCADLO O=C(NCCF)N[C@H]1CCn2cc[nH+]c2C1 ZINC000437784041 201373332 /nfs/dbraw/zinc/37/33/32/201373332.db2.gz JPUVDMXBGCIDRJ-QMMMGPOBSA-N 1 2 226.255 0.467 20 0 BCADLO C[C@@H](C(=O)N(C)CCC1CC1)[NH+]1CCOCC1 ZINC000437511614 201354727 /nfs/dbraw/zinc/35/47/27/201354727.db2.gz GKOQPBYANAXYHP-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC1(C)COCN1C(=O)Cn1cc[nH+]c1 ZINC000614430566 363815168 /nfs/dbraw/zinc/81/51/68/363815168.db2.gz AJUZRAJGYAZIPQ-UHFFFAOYSA-N 1 2 209.249 0.478 20 0 BCADLO CN(CCCO)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614460298 363824426 /nfs/dbraw/zinc/82/44/26/363824426.db2.gz FCRMTRPFPWYNGO-SECBINFHSA-N 1 2 237.303 0.355 20 0 BCADLO CN(CCCO)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614460298 363824431 /nfs/dbraw/zinc/82/44/31/363824431.db2.gz FCRMTRPFPWYNGO-SECBINFHSA-N 1 2 237.303 0.355 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000614545230 363842863 /nfs/dbraw/zinc/84/28/63/363842863.db2.gz GELOLAAYLRRPRE-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000614546696 363844042 /nfs/dbraw/zinc/84/40/42/363844042.db2.gz KJPJQGOXBQXPKN-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO CCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000614546696 363844043 /nfs/dbraw/zinc/84/40/43/363844043.db2.gz KJPJQGOXBQXPKN-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000614565394 363872981 /nfs/dbraw/zinc/87/29/81/363872981.db2.gz MDAWDQABPCMKBX-VIFPVBQESA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000614565394 363872983 /nfs/dbraw/zinc/87/29/83/363872983.db2.gz MDAWDQABPCMKBX-VIFPVBQESA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000614565394 363872984 /nfs/dbraw/zinc/87/29/84/363872984.db2.gz MDAWDQABPCMKBX-VIFPVBQESA-N 1 2 227.333 0.492 20 0 BCADLO CSC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000614565394 363872986 /nfs/dbraw/zinc/87/29/86/363872986.db2.gz MDAWDQABPCMKBX-VIFPVBQESA-N 1 2 227.333 0.492 20 0 BCADLO CCn1cc[nH+]c1CN[C@H](COC)C(=O)OC ZINC000530495611 541302577 /nfs/dbraw/zinc/30/25/77/541302577.db2.gz BFXXXJANRUOGJZ-SECBINFHSA-N 1 2 241.291 0.181 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCN1 ZINC000614735399 363944999 /nfs/dbraw/zinc/94/49/99/363944999.db2.gz XGYXXJIUESTSDK-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1(CO)CC1 ZINC000614765450 363953423 /nfs/dbraw/zinc/95/34/23/363953423.db2.gz FEFCHGDBFFBJBC-SNVBAGLBSA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(CO)CC1 ZINC000614763614 363956953 /nfs/dbraw/zinc/95/69/53/363956953.db2.gz PAGFVXMHDKAYDI-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(CO)CC1 ZINC000614763614 363956956 /nfs/dbraw/zinc/95/69/56/363956956.db2.gz PAGFVXMHDKAYDI-SECBINFHSA-N 1 2 237.303 0.572 20 0 BCADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1(CO)CC1 ZINC000614768642 363958924 /nfs/dbraw/zinc/95/89/24/363958924.db2.gz ADNPCZIPDRWOCD-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1(CO)CC1 ZINC000614768642 363958928 /nfs/dbraw/zinc/95/89/28/363958928.db2.gz ADNPCZIPDRWOCD-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614885565 364032517 /nfs/dbraw/zinc/03/25/17/364032517.db2.gz LBLIEKCWNGSHJH-IWSPIJDZSA-N 1 2 225.267 0.998 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C ZINC000630396643 364121985 /nfs/dbraw/zinc/12/19/85/364121985.db2.gz PIGQYTRGHLIRLO-VIFPVBQESA-N 1 2 229.324 0.415 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C ZINC000630396643 364121990 /nfs/dbraw/zinc/12/19/90/364121990.db2.gz PIGQYTRGHLIRLO-VIFPVBQESA-N 1 2 229.324 0.415 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C)COC1 ZINC000630406124 364137661 /nfs/dbraw/zinc/13/76/61/364137661.db2.gz OPPOSPWFJUKPGP-VIFPVBQESA-N 1 2 238.291 0.360 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191706311 219935758 /nfs/dbraw/zinc/93/57/58/219935758.db2.gz DTPGWDMIWYVNFE-YIZRAAEISA-N 1 2 203.282 0.951 20 0 BCADLO COCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068256081 370765858 /nfs/dbraw/zinc/76/58/58/370765858.db2.gz OHYZBEAVGQKFEA-UHFFFAOYSA-N 1 2 234.299 0.765 20 0 BCADLO c1cn(Cc2cn(C[C@@H]3CCCO3)nn2)c[nH+]1 ZINC000630609403 364340288 /nfs/dbraw/zinc/34/02/88/364340288.db2.gz PYPNFVVGPRSKPH-NSHDSACASA-N 1 2 233.275 0.702 20 0 BCADLO COCC[N@H+](C)Cc1cn(-c2ccccn2)nn1 ZINC000630598634 364315012 /nfs/dbraw/zinc/31/50/12/364315012.db2.gz AXGZVYFUMPCWFM-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO COCC[N@@H+](C)Cc1cn(-c2ccccn2)nn1 ZINC000630598634 364315015 /nfs/dbraw/zinc/31/50/15/364315015.db2.gz AXGZVYFUMPCWFM-UHFFFAOYSA-N 1 2 247.302 0.741 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000134596451 541358162 /nfs/dbraw/zinc/35/81/62/541358162.db2.gz JMRLDVRGHXQLIN-KCJUWKMLSA-N 1 2 225.292 0.520 20 0 BCADLO CC(C)N(C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630692091 364457075 /nfs/dbraw/zinc/45/70/75/364457075.db2.gz PWEYQJQLTXHCTL-UHFFFAOYSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)(CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000135096249 541361731 /nfs/dbraw/zinc/36/17/31/541361731.db2.gz VLBBIMCTNZZEEN-UHFFFAOYSA-N 1 2 240.307 0.201 20 0 BCADLO CCOCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000170849984 364495466 /nfs/dbraw/zinc/49/54/66/364495466.db2.gz BGSDQRUNNPNDQF-NSHDSACASA-N 1 2 244.335 0.250 20 0 BCADLO Cc1nocc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000630747206 364534006 /nfs/dbraw/zinc/53/40/06/364534006.db2.gz MXJACWXJRINCBG-MRVPVSSYSA-N 1 2 234.259 0.998 20 0 BCADLO CC[C@H](O)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158052 364547021 /nfs/dbraw/zinc/54/70/21/364547021.db2.gz IRPYUEIRJZZZNY-SFYZADRCSA-N 1 2 211.265 0.748 20 0 BCADLO C[C@@H](NC(=O)C1(O)CCC1)c1[nH]cc[nH+]1 ZINC000615157255 364547875 /nfs/dbraw/zinc/54/78/75/364547875.db2.gz AHVLFDICVOYXCN-SSDOTTSWSA-N 1 2 209.249 0.502 20 0 BCADLO COCn1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000615158549 364549279 /nfs/dbraw/zinc/54/92/79/364549279.db2.gz RKHSODYTKPKULR-MRVPVSSYSA-N 1 2 249.274 0.701 20 0 BCADLO CC[C@](C)(CO)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158746 364552527 /nfs/dbraw/zinc/55/25/27/364552527.db2.gz UJRKXOAGLYIGKP-LDYMZIIASA-N 1 2 225.292 0.996 20 0 BCADLO Cc1[nH][nH]c(=O)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000615216640 364635692 /nfs/dbraw/zinc/63/56/92/364635692.db2.gz BBUVCAFCRTVMSR-UHFFFAOYSA-N 1 2 238.291 0.704 20 0 BCADLO COCC[C@@H](C)[N@@H+]1CCc2n[nH]nc2C1 ZINC000429285008 541373190 /nfs/dbraw/zinc/37/31/90/541373190.db2.gz FIZSJDGYFSHVAJ-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO COCC[C@@H](C)[N@H+]1CCc2n[nH]nc2C1 ZINC000429285008 541373192 /nfs/dbraw/zinc/37/31/92/541373192.db2.gz FIZSJDGYFSHVAJ-MRVPVSSYSA-N 1 2 210.281 0.588 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC000615363325 364736446 /nfs/dbraw/zinc/73/64/46/364736446.db2.gz OARDZXARZFBBMJ-HBNTYKKESA-N 1 2 249.314 0.771 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)C2CSC2)CCO1 ZINC000630879272 364730524 /nfs/dbraw/zinc/73/05/24/364730524.db2.gz IJIMRLYCGMRBLH-SECBINFHSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CSC2)CCO1 ZINC000630879272 364730526 /nfs/dbraw/zinc/73/05/26/364730526.db2.gz IJIMRLYCGMRBLH-SECBINFHSA-N 1 2 244.360 0.186 20 0 BCADLO C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000333003592 364763639 /nfs/dbraw/zinc/76/36/39/364763639.db2.gz JMXWIKMTMRBIJO-ZWNOBZJWSA-N 1 2 249.314 0.741 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333006077 364764775 /nfs/dbraw/zinc/76/47/75/364764775.db2.gz KSRXIIATELBHKA-HBNTYKKESA-N 1 2 249.314 0.739 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000568624092 364764829 /nfs/dbraw/zinc/76/48/29/364764829.db2.gz AQFNZKQBCKBDHK-NXEZZACHSA-N 1 2 245.710 0.577 20 0 BCADLO COC1(CCNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000573515515 364853705 /nfs/dbraw/zinc/85/37/05/364853705.db2.gz UOENGYJYYXFHQD-UHFFFAOYSA-N 1 2 237.303 0.959 20 0 BCADLO CO[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000573541637 364856357 /nfs/dbraw/zinc/85/63/57/364856357.db2.gz DKJWVNSVRDHIER-QWRGUYRKSA-N 1 2 249.314 0.957 20 0 BCADLO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)OC ZINC000573566449 364863081 /nfs/dbraw/zinc/86/30/81/364863081.db2.gz BBCFOXNGIIKZOL-IUCAKERBSA-N 1 2 203.282 0.546 20 0 BCADLO Cc1cc(NC(=O)c2ncn(C)n2)c(C)c[nH+]1 ZINC000573495866 364846828 /nfs/dbraw/zinc/84/68/28/364846828.db2.gz QELYADLWWIGUSI-UHFFFAOYSA-N 1 2 231.259 0.501 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000233821699 541388099 /nfs/dbraw/zinc/38/80/99/541388099.db2.gz LTPHKLKAEMOWTF-MRVPVSSYSA-N 1 2 246.332 0.896 20 0 BCADLO CNC(=O)CCSCCn1cc[nH+]c1 ZINC000573730733 364905021 /nfs/dbraw/zinc/90/50/21/364905021.db2.gz USOOYXYZAUCBHI-UHFFFAOYSA-N 1 2 213.306 0.752 20 0 BCADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CO ZINC000573829532 364925510 /nfs/dbraw/zinc/92/55/10/364925510.db2.gz CBQIYZJKAXUKGE-GHMZBOCLSA-N 1 2 237.303 0.503 20 0 BCADLO Cc1c[nH]cc1C(=O)NCc1c[nH+]cn1C ZINC000334908951 541418330 /nfs/dbraw/zinc/41/83/30/541418330.db2.gz AWMCNVSPHMNFIM-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000573991205 364962280 /nfs/dbraw/zinc/96/22/80/364962280.db2.gz GZLOCMVDCQWULT-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO CC[C@](C)(CO)C(=O)NCc1[nH]cc[nH+]1 ZINC000574097568 364987212 /nfs/dbraw/zinc/98/72/12/364987212.db2.gz AQXICMCNXFCXFG-SNVBAGLBSA-N 1 2 211.265 0.435 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nnnn1C1CC1 ZINC000574467515 365071541 /nfs/dbraw/zinc/07/15/41/365071541.db2.gz JJXCBLFZIBYYFS-WPRPVWTQSA-N 1 2 237.307 0.353 20 0 BCADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nnnn1C1CC1 ZINC000574467515 365071545 /nfs/dbraw/zinc/07/15/45/365071545.db2.gz JJXCBLFZIBYYFS-WPRPVWTQSA-N 1 2 237.307 0.353 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@]23CCNC3=O)n1 ZINC000574461781 365068404 /nfs/dbraw/zinc/06/84/04/365068404.db2.gz CLNWMXUHERENIV-GFCCVEGCSA-N 1 2 234.303 0.275 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@]23CCNC3=O)n1 ZINC000574461781 365068407 /nfs/dbraw/zinc/06/84/07/365068407.db2.gz CLNWMXUHERENIV-GFCCVEGCSA-N 1 2 234.303 0.275 20 0 BCADLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1=O ZINC000574277558 365026092 /nfs/dbraw/zinc/02/60/92/365026092.db2.gz WVBKBFNHISYWQY-SNVBAGLBSA-N 1 2 236.319 0.899 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574521725 365082031 /nfs/dbraw/zinc/08/20/31/365082031.db2.gz HOSBILJNQKEJGW-MVWJERBFSA-N 1 2 249.314 0.739 20 0 BCADLO CN(CCCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574693547 365124151 /nfs/dbraw/zinc/12/41/51/365124151.db2.gz HIZKXWVJAQXEDW-SNVBAGLBSA-N 1 2 237.303 0.286 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)CO1 ZINC000574704147 365127209 /nfs/dbraw/zinc/12/72/09/365127209.db2.gz UWSPGFRMFLGZMK-VHSXEESVSA-N 1 2 226.320 0.622 20 0 BCADLO CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171165502 365172721 /nfs/dbraw/zinc/17/27/21/365172721.db2.gz VWQFUEPQTZEIJZ-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171165502 365172727 /nfs/dbraw/zinc/17/27/27/365172727.db2.gz VWQFUEPQTZEIJZ-UHFFFAOYSA-N 1 2 229.324 0.368 20 0 BCADLO CC[N@H+](Cc1cncnc1)[C@@H]1CCNC1=O ZINC000442964878 193008273 /nfs/dbraw/zinc/00/82/73/193008273.db2.gz JIRUCZNDOLCPBU-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CC[N@@H+](Cc1cncnc1)[C@@H]1CCNC1=O ZINC000442964878 193008276 /nfs/dbraw/zinc/00/82/76/193008276.db2.gz JIRUCZNDOLCPBU-SNVBAGLBSA-N 1 2 220.276 0.187 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000157655639 193013346 /nfs/dbraw/zinc/01/33/46/193013346.db2.gz YQGUYXBPTQSHKN-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000157655639 193013348 /nfs/dbraw/zinc/01/33/48/193013348.db2.gz YQGUYXBPTQSHKN-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345762 193019793 /nfs/dbraw/zinc/01/97/93/193019793.db2.gz LLBFJMXYRBAJOI-HLTSFMKQSA-N 1 2 240.307 0.492 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000443345762 193019796 /nfs/dbraw/zinc/01/97/96/193019796.db2.gz LLBFJMXYRBAJOI-HLTSFMKQSA-N 1 2 240.307 0.492 20 0 BCADLO CCOCC[NH+]1CCN(C(=O)CSC)CC1 ZINC000171861002 365249714 /nfs/dbraw/zinc/24/97/14/365249714.db2.gz HWSKEWFBLVGHKO-UHFFFAOYSA-N 1 2 246.376 0.530 20 0 BCADLO Cc1cn(C)nc1C(=O)NCCCn1cc[nH+]c1 ZINC000622274301 370815272 /nfs/dbraw/zinc/81/52/72/370815272.db2.gz CPFSEAWAPFWIOQ-UHFFFAOYSA-N 1 2 247.302 0.745 20 0 BCADLO CC[C@H]1C[N@H+](C)CCN1CCCS(C)(=O)=O ZINC000575243994 365268909 /nfs/dbraw/zinc/26/89/09/365268909.db2.gz FMBKXPHBCXABNU-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1C[N@@H+](C)CCN1CCCS(C)(=O)=O ZINC000575243994 365268912 /nfs/dbraw/zinc/26/89/12/365268912.db2.gz FMBKXPHBCXABNU-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CCCS(C)(=O)=O ZINC000575243994 365268917 /nfs/dbraw/zinc/26/89/17/365268917.db2.gz FMBKXPHBCXABNU-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CCCS(C)(=O)=O ZINC000575243994 365268918 /nfs/dbraw/zinc/26/89/18/365268918.db2.gz FMBKXPHBCXABNU-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO COC(=O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575751806 365353704 /nfs/dbraw/zinc/35/37/04/365353704.db2.gz AQESNUHKDSCEKQ-VIFPVBQESA-N 1 2 239.275 0.466 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000575800090 365366349 /nfs/dbraw/zinc/36/63/49/365366349.db2.gz GUAVIIUJEFPJAH-NXEZZACHSA-N 1 2 239.323 0.770 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000575800090 365366354 /nfs/dbraw/zinc/36/63/54/365366354.db2.gz GUAVIIUJEFPJAH-NXEZZACHSA-N 1 2 239.323 0.770 20 0 BCADLO c1nnn2c1C[N@H+](Cc1cccnc1)CC2 ZINC000575999260 365443176 /nfs/dbraw/zinc/44/31/76/365443176.db2.gz DBEMFNKSVGGQHJ-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO c1nnn2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000575999260 365443181 /nfs/dbraw/zinc/44/31/81/365443181.db2.gz DBEMFNKSVGGQHJ-UHFFFAOYSA-N 1 2 215.260 0.689 20 0 BCADLO CCn1cc(CC(=O)NCc2c[nH+]cn2C)cn1 ZINC000576097381 365481599 /nfs/dbraw/zinc/48/15/99/365481599.db2.gz RNLFROXUJJVKBR-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174393882 365483626 /nfs/dbraw/zinc/48/36/26/365483626.db2.gz QYKSEPRGDZFZJS-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174393882 365483632 /nfs/dbraw/zinc/48/36/32/365483632.db2.gz QYKSEPRGDZFZJS-GHMZBOCLSA-N 1 2 226.320 0.718 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C)C1 ZINC000174530768 365495961 /nfs/dbraw/zinc/49/59/61/365495961.db2.gz IEEBWIGTTQBETJ-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C)C1 ZINC000174530768 365495964 /nfs/dbraw/zinc/49/59/64/365495964.db2.gz IEEBWIGTTQBETJ-MRVPVSSYSA-N 1 2 200.282 0.232 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1nnc2ccccn21 ZINC000182670994 366929544 /nfs/dbraw/zinc/92/95/44/366929544.db2.gz WTPMDWQSUNSAOR-BDAKNGLRSA-N 1 2 245.286 0.268 20 0 BCADLO Cc1nn(C)c(NC(=O)Cn2cc[nH+]c2)c1C ZINC000579660102 366933479 /nfs/dbraw/zinc/93/34/79/366933479.db2.gz VXWOAQYVPXKKRD-UHFFFAOYSA-N 1 2 233.275 0.872 20 0 BCADLO CN(C)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000156385618 541486928 /nfs/dbraw/zinc/48/69/28/541486928.db2.gz MDVXOQDOHVJJDN-UHFFFAOYSA-N 1 2 221.304 0.980 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H](CO)C1 ZINC000579730181 366996717 /nfs/dbraw/zinc/99/67/17/366996717.db2.gz DHDFOHWZBPZUDE-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H](CO)C1 ZINC000579730181 366996719 /nfs/dbraw/zinc/99/67/19/366996719.db2.gz DHDFOHWZBPZUDE-SFYZADRCSA-N 1 2 238.291 0.640 20 0 BCADLO FC[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000579684525 366976666 /nfs/dbraw/zinc/97/66/66/366976666.db2.gz WZRRFPZZKNLYNF-VXGBXAGGSA-N 1 2 247.310 0.852 20 0 BCADLO FC[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCO1 ZINC000579684525 366976670 /nfs/dbraw/zinc/97/66/70/366976670.db2.gz WZRRFPZZKNLYNF-VXGBXAGGSA-N 1 2 247.310 0.852 20 0 BCADLO FC[C@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000579684524 366977081 /nfs/dbraw/zinc/97/70/81/366977081.db2.gz WZRRFPZZKNLYNF-RYUDHWBXSA-N 1 2 247.310 0.852 20 0 BCADLO FC[C@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCO1 ZINC000579684524 366977084 /nfs/dbraw/zinc/97/70/84/366977084.db2.gz WZRRFPZZKNLYNF-RYUDHWBXSA-N 1 2 247.310 0.852 20 0 BCADLO CC[N@H+](CCCO)Cc1nc(C2CC2)nn1C ZINC000579831084 367036008 /nfs/dbraw/zinc/03/60/08/367036008.db2.gz IOHXTMUZIWBFDL-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CC[N@@H+](CCCO)Cc1nc(C2CC2)nn1C ZINC000579831084 367036011 /nfs/dbraw/zinc/03/60/11/367036011.db2.gz IOHXTMUZIWBFDL-UHFFFAOYSA-N 1 2 238.335 0.897 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)CCOC ZINC000579858070 367054207 /nfs/dbraw/zinc/05/42/07/367054207.db2.gz QFRXIWCMDDDMOM-UHFFFAOYSA-N 1 2 211.265 0.556 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)C(C)(C)CO ZINC000579857957 367055117 /nfs/dbraw/zinc/05/51/17/367055117.db2.gz MTDIJOIXRILJPV-UHFFFAOYSA-N 1 2 238.287 0.725 20 0 BCADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)COC)[C@H](C)CC ZINC000183580649 367031190 /nfs/dbraw/zinc/03/11/90/367031190.db2.gz DTFXALYYASIHNZ-OUAUKWLOSA-N 1 2 247.335 0.561 20 0 BCADLO CCc1nnc(C[NH+]2CCC(O)CC2)[nH]1 ZINC000185173383 367122666 /nfs/dbraw/zinc/12/26/66/367122666.db2.gz NGHGUDLNOOQWJD-UHFFFAOYSA-N 1 2 210.281 0.324 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1COCCO1)C(C)C ZINC000580814843 367175720 /nfs/dbraw/zinc/17/57/20/367175720.db2.gz GKDCKYXSZKRILX-NXEZZACHSA-N 1 2 231.292 0.189 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC1 ZINC000622291438 370825932 /nfs/dbraw/zinc/82/59/32/370825932.db2.gz LLLDEYNSSLZSNS-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC1 ZINC000622291438 370825936 /nfs/dbraw/zinc/82/59/36/370825936.db2.gz LLLDEYNSSLZSNS-JQWIXIFHSA-N 1 2 240.347 0.964 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](O)[C@@H](CO)C1 ZINC000580845022 367186901 /nfs/dbraw/zinc/18/69/01/367186901.db2.gz XAJURSJTGBOIQB-MNOVXSKESA-N 1 2 237.303 0.273 20 0 BCADLO CCc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ncn1 ZINC000068806193 370849723 /nfs/dbraw/zinc/84/97/23/370849723.db2.gz WDHHPPXRNHEBJA-GFCCVEGCSA-N 1 2 249.362 0.697 20 0 BCADLO CCc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ncn1 ZINC000068806193 370849729 /nfs/dbraw/zinc/84/97/29/370849729.db2.gz WDHHPPXRNHEBJA-GFCCVEGCSA-N 1 2 249.362 0.697 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1cn2c(n1)CCC2 ZINC000581430678 367468443 /nfs/dbraw/zinc/46/84/43/367468443.db2.gz JWSGSRRQRIYECB-UHFFFAOYSA-N 1 2 245.286 0.525 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@H]1O ZINC000382008296 367478629 /nfs/dbraw/zinc/47/86/29/367478629.db2.gz LMUNEYOAZAUWTL-HTQZYQBOSA-N 1 2 219.248 0.299 20 0 BCADLO Cn1ccc(CNc2cccc(CO)[nH+]2)n1 ZINC000381604393 367435765 /nfs/dbraw/zinc/43/57/65/367435765.db2.gz PJDZDISLFXVEDB-UHFFFAOYSA-N 1 2 218.260 0.920 20 0 BCADLO CCn1ccnc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000581571628 367599593 /nfs/dbraw/zinc/59/95/93/367599593.db2.gz VIYWLFHKTUMEJA-MNOVXSKESA-N 1 2 239.319 0.078 20 0 BCADLO CCn1ccnc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000581571628 367599602 /nfs/dbraw/zinc/59/96/02/367599602.db2.gz VIYWLFHKTUMEJA-MNOVXSKESA-N 1 2 239.319 0.078 20 0 BCADLO C[C@H](CC(=O)NC1(CCO)CC1)n1cc[nH+]c1 ZINC000581671259 367701098 /nfs/dbraw/zinc/70/10/98/367701098.db2.gz MYFRUQLETXSITO-SNVBAGLBSA-N 1 2 237.303 0.865 20 0 BCADLO CCO[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000581660656 367660813 /nfs/dbraw/zinc/66/08/13/367660813.db2.gz NEIZPLOTKINNTL-OUAUKWLOSA-N 1 2 249.314 0.739 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000384284407 367681792 /nfs/dbraw/zinc/68/17/92/367681792.db2.gz CKZYYBQPXQYLTQ-OYNCUSHFSA-N 1 2 215.293 0.951 20 0 BCADLO CC[C@H](O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000622364251 370869341 /nfs/dbraw/zinc/86/93/41/370869341.db2.gz PMYMLJAMFQEBMV-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](O)C1CCC1 ZINC000622361414 370868839 /nfs/dbraw/zinc/86/88/39/370868839.db2.gz FYLCRQFOGJJUPU-JTQLQIEISA-N 1 2 223.276 0.529 20 0 BCADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384643099 367712105 /nfs/dbraw/zinc/71/21/05/367712105.db2.gz SUJNIAOORCRZDR-JQCXWYLXSA-N 1 2 201.266 0.703 20 0 BCADLO Cc1ccn(CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000622384885 370882512 /nfs/dbraw/zinc/88/25/12/370882512.db2.gz WCVUKHYPJCLKOS-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1ccn(CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000622384885 370882516 /nfs/dbraw/zinc/88/25/16/370882516.db2.gz WCVUKHYPJCLKOS-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO Cc1cc(NC(=O)C[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000622368121 370872256 /nfs/dbraw/zinc/87/22/56/370872256.db2.gz JPHQASJANYXQOR-JTQLQIEISA-N 1 2 247.298 0.667 20 0 BCADLO OCC(CO)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000581734725 367798300 /nfs/dbraw/zinc/79/83/00/367798300.db2.gz UXGQJRPDBDQDJS-UHFFFAOYSA-N 1 2 248.282 0.784 20 0 BCADLO C[C@H]1[C@@H](CO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000385862977 367870429 /nfs/dbraw/zinc/87/04/29/367870429.db2.gz ZYYGYNRVIIFVBU-WDEREUQCSA-N 1 2 237.303 0.503 20 0 BCADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385977906 367893339 /nfs/dbraw/zinc/89/33/39/367893339.db2.gz PWIMKDLRBNMCOT-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO CCc1nc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385977906 367893343 /nfs/dbraw/zinc/89/33/43/367893343.db2.gz PWIMKDLRBNMCOT-IUCAKERBSA-N 1 2 225.292 0.835 20 0 BCADLO O=C1C[N@H+](C[C@H](O)c2ccccc2)CCN1 ZINC000016389156 367951821 /nfs/dbraw/zinc/95/18/21/367951821.db2.gz GDWPCEOJBTZUGU-NSHDSACASA-N 1 2 220.272 0.152 20 0 BCADLO O=C1C[N@@H+](C[C@H](O)c2ccccc2)CCN1 ZINC000016389156 367951828 /nfs/dbraw/zinc/95/18/28/367951828.db2.gz GDWPCEOJBTZUGU-NSHDSACASA-N 1 2 220.272 0.152 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1CSC1 ZINC000630922207 367956570 /nfs/dbraw/zinc/95/65/70/367956570.db2.gz KUQPWLIVCSHSRL-UHFFFAOYSA-N 1 2 211.290 0.399 20 0 BCADLO CSCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615673832 368180780 /nfs/dbraw/zinc/18/07/80/368180780.db2.gz XVCMSNQBPLJYDI-VIFPVBQESA-N 1 2 239.344 0.925 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000448711652 201621967 /nfs/dbraw/zinc/62/19/67/201621967.db2.gz WOQKWNSWPHJEMX-QJPTWQEYSA-N 1 2 240.347 0.869 20 0 BCADLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCOC1 ZINC000615759539 368274963 /nfs/dbraw/zinc/27/49/63/368274963.db2.gz VKNVRFWEKHWUNL-UHFFFAOYSA-N 1 2 245.242 0.092 20 0 BCADLO Cc1noc(C)c1CC(=O)NCCn1cc[nH+]c1 ZINC000041816240 368293078 /nfs/dbraw/zinc/29/30/78/368293078.db2.gz NIMGFSSEDVCDAU-UHFFFAOYSA-N 1 2 248.286 0.847 20 0 BCADLO O=C(C[C@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000046784181 368451528 /nfs/dbraw/zinc/45/15/28/368451528.db2.gz OZDRFSZNHLPBGR-SNVBAGLBSA-N 1 2 223.276 0.568 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCCO1 ZINC000046781583 368451723 /nfs/dbraw/zinc/45/17/23/368451723.db2.gz AJSRJFYQVFVBEY-MNOVXSKESA-N 1 2 237.303 0.957 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000046774221 368450675 /nfs/dbraw/zinc/45/06/75/368450675.db2.gz HSZUNBFLHGFJAT-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000046774221 368450679 /nfs/dbraw/zinc/45/06/79/368450679.db2.gz HSZUNBFLHGFJAT-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CCc1c(C(=O)N2CC[NH+](C)CC2)cnn1C ZINC000642561792 368478253 /nfs/dbraw/zinc/47/82/53/368478253.db2.gz JFJKJXRKCLZSHH-UHFFFAOYSA-N 1 2 236.319 0.370 20 0 BCADLO CCO[C@H](CC)C(=O)NCCn1cc[nH+]c1 ZINC000057211991 368486468 /nfs/dbraw/zinc/48/64/68/368486468.db2.gz XTCLQJLOFIRNEG-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CNC(=O)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000057642116 368497407 /nfs/dbraw/zinc/49/74/07/368497407.db2.gz LYWVGEWGYQZGII-UHFFFAOYSA-N 1 2 232.287 0.512 20 0 BCADLO CCO[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000058953388 368526173 /nfs/dbraw/zinc/52/61/73/368526173.db2.gz NWMUODUIJSIOAD-NXEZZACHSA-N 1 2 225.292 0.813 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058953385 368526277 /nfs/dbraw/zinc/52/62/77/368526277.db2.gz NWMUODUIJSIOAD-UWVGGRQHSA-N 1 2 225.292 0.813 20 0 BCADLO Cc1[nH]c2ccc(NC(=O)CNC(N)=O)cc2[nH+]1 ZINC000063692011 368592946 /nfs/dbraw/zinc/59/29/46/368592946.db2.gz WPVBGYFSKIQQOL-UHFFFAOYSA-N 1 2 247.258 0.478 20 0 BCADLO CONC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000063727133 368593932 /nfs/dbraw/zinc/59/39/32/368593932.db2.gz SSICBMRZNNVJFT-SNVBAGLBSA-N 1 2 235.287 0.976 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000064628836 368609676 /nfs/dbraw/zinc/60/96/76/368609676.db2.gz PPJUMGFQXGVJLW-RKDXNWHRSA-N 1 2 229.324 0.097 20 0 BCADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000064628836 368609680 /nfs/dbraw/zinc/60/96/80/368609680.db2.gz PPJUMGFQXGVJLW-RKDXNWHRSA-N 1 2 229.324 0.097 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)on1 ZINC000399846009 368615356 /nfs/dbraw/zinc/61/53/56/368615356.db2.gz IMADDJBIMDONIG-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@H](O)C2)on1 ZINC000399846009 368615361 /nfs/dbraw/zinc/61/53/61/368615361.db2.gz IMADDJBIMDONIG-SECBINFHSA-N 1 2 212.249 0.176 20 0 BCADLO CC[C@@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000065867888 368633020 /nfs/dbraw/zinc/63/30/20/368633020.db2.gz XRAHTIMCCBEVMY-VHSXEESVSA-N 1 2 225.292 0.813 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC12COC2 ZINC000615916371 368655317 /nfs/dbraw/zinc/65/53/17/368655317.db2.gz BKPNKOPFUZJVQA-JTQLQIEISA-N 1 2 247.298 0.447 20 0 BCADLO CC(C)OCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068064560 368711689 /nfs/dbraw/zinc/71/16/89/368711689.db2.gz CIRODFWLJGUQON-LLVKDONJSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1noc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000068741810 368733253 /nfs/dbraw/zinc/73/32/53/368733253.db2.gz SHWAWSZFHKRNIY-UHFFFAOYSA-N 1 2 234.259 0.918 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000081789790 370919372 /nfs/dbraw/zinc/91/93/72/370919372.db2.gz SCHHHBKLPBRSTJ-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000081789790 370919384 /nfs/dbraw/zinc/91/93/84/370919384.db2.gz SCHHHBKLPBRSTJ-LYGAQUJYSA-N 1 2 244.360 0.108 20 0 BCADLO CCN(CCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000622466341 370938972 /nfs/dbraw/zinc/93/89/72/370938972.db2.gz CIHACCMHSPGOHJ-UHFFFAOYSA-N 1 2 225.292 0.573 20 0 BCADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)on1 ZINC000070794098 368765254 /nfs/dbraw/zinc/76/52/54/368765254.db2.gz QOSUOXIAALYUMT-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)on1 ZINC000070794098 368765258 /nfs/dbraw/zinc/76/52/58/368765258.db2.gz QOSUOXIAALYUMT-SECBINFHSA-N 1 2 209.249 0.433 20 0 BCADLO CC(C)(CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622469227 370941458 /nfs/dbraw/zinc/94/14/58/370941458.db2.gz DYAGKMKNPBCWCH-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000073558580 368809049 /nfs/dbraw/zinc/80/90/49/368809049.db2.gz COQZPLODZRYNJA-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C2)on1 ZINC000074324776 368837477 /nfs/dbraw/zinc/83/74/77/368837477.db2.gz HWVISHWAYOHEPF-DTWKUNHWSA-N 1 2 239.275 0.377 20 0 BCADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)C2)on1 ZINC000074324776 368837481 /nfs/dbraw/zinc/83/74/81/368837481.db2.gz HWVISHWAYOHEPF-DTWKUNHWSA-N 1 2 239.275 0.377 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](O)C1CC1 ZINC000615960473 368793988 /nfs/dbraw/zinc/79/39/88/368793988.db2.gz LPHRXORZAIWANC-PSASIEDQSA-N 1 2 237.303 0.851 20 0 BCADLO C[C@H](O)[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000618925466 368888016 /nfs/dbraw/zinc/88/80/16/368888016.db2.gz NZOAEPHXRLQYPC-GXSJLCMTSA-N 1 2 237.303 0.334 20 0 BCADLO C[C@@H]1C[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457850942 203111121 /nfs/dbraw/zinc/11/11/21/203111121.db2.gz RKFJCZSTYHZVNT-ZJUUUORDSA-N 1 2 236.319 0.918 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457862354 203114177 /nfs/dbraw/zinc/11/41/77/203114177.db2.gz QMBIPOLJMJGWPR-GHMZBOCLSA-N 1 2 237.303 0.504 20 0 BCADLO CC(C)(C(=O)N1CC[C@@]2(O)C[C@H]2C1)c1c[nH+]c[nH]1 ZINC000618759267 369213052 /nfs/dbraw/zinc/21/30/52/369213052.db2.gz IRYSWFWWTXQRTN-TVQRCGJNSA-N 1 2 249.314 0.671 20 0 BCADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCCC2)[C@H]1C ZINC000156086935 326218719 /nfs/dbraw/zinc/21/87/19/326218719.db2.gz WLMRSIVRFQLHAM-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H](O)C12CCC2 ZINC000619076727 369276314 /nfs/dbraw/zinc/27/63/14/369276314.db2.gz YVSVCRPLGLFTJL-UWVGGRQHSA-N 1 2 249.314 0.762 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](O)C23CCC3)c[nH+]1 ZINC000619082583 369278429 /nfs/dbraw/zinc/27/84/29/369278429.db2.gz GZYJAZAXHJEJTM-VHSXEESVSA-N 1 2 235.287 0.751 20 0 BCADLO CCn1nncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000459385336 203271860 /nfs/dbraw/zinc/27/18/60/203271860.db2.gz HCKKSTDGQIKXBQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CCn1nncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000459385336 203271864 /nfs/dbraw/zinc/27/18/64/203271864.db2.gz HCKKSTDGQIKXBQ-GFCCVEGCSA-N 1 2 236.319 0.909 20 0 BCADLO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)C(=O)OC ZINC000619183440 369302606 /nfs/dbraw/zinc/30/26/06/369302606.db2.gz JYLNZWRRIZWLAU-QWRGUYRKSA-N 1 2 245.319 0.581 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000567709364 326248889 /nfs/dbraw/zinc/24/88/89/326248889.db2.gz XHGXWJCWODZSKT-KOLCDFICSA-N 1 2 225.267 0.827 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@H+]1Cc2cccnc2C1 ZINC000567724665 326251572 /nfs/dbraw/zinc/25/15/72/326251572.db2.gz UQLQVFALHNUVJG-LBPRGKRZSA-N 1 2 220.272 0.737 20 0 BCADLO CC[C@@H]([NH2+]CCc1cncc(C)n1)C(=O)OC ZINC000402639362 369389731 /nfs/dbraw/zinc/38/97/31/369389731.db2.gz DNLBGYBCRWCFTB-LLVKDONJSA-N 1 2 237.303 0.869 20 0 BCADLO COC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C(=O)OC ZINC000619430797 369348913 /nfs/dbraw/zinc/34/89/13/369348913.db2.gz YNDYXRABYLJNNC-VWYCJHECSA-N 1 2 245.319 0.722 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C(=O)OC ZINC000619430795 369349200 /nfs/dbraw/zinc/34/92/00/369349200.db2.gz YNDYXRABYLJNNC-DCAQKATOSA-N 1 2 245.319 0.722 20 0 BCADLO CCSCC[NH+]1CC(NC(=O)COC)C1 ZINC000459615409 203312650 /nfs/dbraw/zinc/31/26/50/203312650.db2.gz ASEPQNRRJLBSGH-UHFFFAOYSA-N 1 2 232.349 0.186 20 0 BCADLO C[C@H](CO)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567741935 326254173 /nfs/dbraw/zinc/25/41/73/326254173.db2.gz LBUPMUGCULQVLY-NXEZZACHSA-N 1 2 225.292 0.673 20 0 BCADLO Cn1cnnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387806709 369358411 /nfs/dbraw/zinc/35/84/11/369358411.db2.gz PWTGODBLKYTTMP-MRVPVSSYSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1cnnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387806709 369358417 /nfs/dbraw/zinc/35/84/17/369358417.db2.gz PWTGODBLKYTTMP-MRVPVSSYSA-N 1 2 210.281 0.018 20 0 BCADLO CC(=O)[C@@](C)(O)C[N@@H+]1Cc2cccnc2C1 ZINC000567724665 326251571 /nfs/dbraw/zinc/25/15/71/326251571.db2.gz UQLQVFALHNUVJG-LBPRGKRZSA-N 1 2 220.272 0.737 20 0 BCADLO COCC(=O)NC1C[NH+](Cc2ccc(C)o2)C1 ZINC000459620836 203319164 /nfs/dbraw/zinc/31/91/64/203319164.db2.gz RMJBAXJVJLXFCC-UHFFFAOYSA-N 1 2 238.287 0.535 20 0 BCADLO Cn1c[nH+]cc1CN1CC(OC(F)F)C1 ZINC000459632001 203320250 /nfs/dbraw/zinc/32/02/50/203320250.db2.gz RQOLVUKXESIQNA-UHFFFAOYSA-N 1 2 217.219 0.844 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)CN1CCn1cc[nH+]c1 ZINC000619513583 369455754 /nfs/dbraw/zinc/45/57/54/369455754.db2.gz RDDLECADCVKOGS-UWVGGRQHSA-N 1 2 241.266 0.469 20 0 BCADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000459727541 203341102 /nfs/dbraw/zinc/34/11/02/203341102.db2.gz YTKPBLHIDIXXMS-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000459727541 203341106 /nfs/dbraw/zinc/34/11/06/203341106.db2.gz YTKPBLHIDIXXMS-JTQLQIEISA-N 1 2 239.323 0.601 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000459746862 203354589 /nfs/dbraw/zinc/35/45/89/203354589.db2.gz BVZZQNOANRNTFL-VHSXEESVSA-N 1 2 228.317 0.955 20 0 BCADLO Cn1nnnc1C[N@H+](C)C1CC(C)(C)C1 ZINC000459746086 203351622 /nfs/dbraw/zinc/35/16/22/203351622.db2.gz UITIJYKUBZZYQD-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000459746086 203351624 /nfs/dbraw/zinc/35/16/24/203351624.db2.gz UITIJYKUBZZYQD-UHFFFAOYSA-N 1 2 209.297 0.831 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H](O)C1CCC1 ZINC000622503429 370967589 /nfs/dbraw/zinc/96/75/89/370967589.db2.gz AKGFMFQPWWYJSJ-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO CCCN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000459820873 203376578 /nfs/dbraw/zinc/37/65/78/203376578.db2.gz SNFVILJUWWOVPT-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO Cc1[nH]c(C(=O)NC2([C@@H](C)O)CC2)c[nH+]1 ZINC000620068263 369701706 /nfs/dbraw/zinc/70/17/06/369701706.db2.gz RVPWRGWNZYOYBD-ZCFIWIBFSA-N 1 2 209.249 0.361 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620136825 369743690 /nfs/dbraw/zinc/74/36/90/369743690.db2.gz HLGOPEZPDWFNAF-MNOVXSKESA-N 1 2 249.314 0.458 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]1C ZINC000620213322 369773496 /nfs/dbraw/zinc/77/34/96/369773496.db2.gz REBCKBRBZRVLSJ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]1C ZINC000620213322 369773503 /nfs/dbraw/zinc/77/35/03/369773503.db2.gz REBCKBRBZRVLSJ-SNVBAGLBSA-N 1 2 241.335 0.064 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC1(C)C ZINC000158036361 326305434 /nfs/dbraw/zinc/30/54/34/326305434.db2.gz ZJRWSGOBIXMEGT-GHMZBOCLSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000620413216 369867874 /nfs/dbraw/zinc/86/78/74/369867874.db2.gz FSYBGKPTVZXCFT-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](NC(=O)c1nccnc1N)c1[nH+]ccn1C ZINC000620599004 369948992 /nfs/dbraw/zinc/94/89/92/369948992.db2.gz BLCKOSPOYIAXKE-SSDOTTSWSA-N 1 2 246.274 0.283 20 0 BCADLO C[C@H](NC(=O)c1csnn1)c1[nH+]ccn1C ZINC000620597614 369949197 /nfs/dbraw/zinc/94/91/97/369949197.db2.gz XUJUIDSXGQXOBZ-LURJTMIESA-N 1 2 237.288 0.763 20 0 BCADLO C[C@@H](NC(=O)[C@](C)(O)C1CC1)c1[nH+]ccn1C ZINC000620610070 369957066 /nfs/dbraw/zinc/95/70/66/369957066.db2.gz VEDCUYYSIWGCCA-PRHODGIISA-N 1 2 237.303 0.758 20 0 BCADLO Cc1cn2ccc(NC(=O)[C@H](C)O)cc2[nH+]1 ZINC000620650088 369972547 /nfs/dbraw/zinc/97/25/47/369972547.db2.gz LKPLWFOEOBCECU-QMMMGPOBSA-N 1 2 219.244 0.962 20 0 BCADLO CC(=O)CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620591910 369944480 /nfs/dbraw/zinc/94/44/80/369944480.db2.gz HWLSCUXWIGMNIX-VIFPVBQESA-N 1 2 223.276 0.967 20 0 BCADLO CCOCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620592056 369944604 /nfs/dbraw/zinc/94/46/04/369944604.db2.gz JCESWINFISHIRR-MRVPVSSYSA-N 1 2 211.265 0.634 20 0 BCADLO C[C@H](NC(=O)[C@H]1CCOC1)c1[nH+]ccn1C ZINC000620594602 369946221 /nfs/dbraw/zinc/94/62/21/369946221.db2.gz GQINJGCIVNNCKE-IUCAKERBSA-N 1 2 223.276 0.634 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1nccn1C ZINC000620594314 369946661 /nfs/dbraw/zinc/94/66/61/369946661.db2.gz BXZPLMYSQYNTJN-JTQLQIEISA-N 1 2 247.302 0.884 20 0 BCADLO C[C@H](NC(=O)[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000620594601 369946765 /nfs/dbraw/zinc/94/67/65/369946765.db2.gz GQINJGCIVNNCKE-DTWKUNHWSA-N 1 2 223.276 0.634 20 0 BCADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nn1C ZINC000620594718 369947236 /nfs/dbraw/zinc/94/72/36/369947236.db2.gz DFUGTMQPCBJNBX-VIFPVBQESA-N 1 2 247.302 0.953 20 0 BCADLO CCn1nccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000621118681 370114929 /nfs/dbraw/zinc/11/49/29/370114929.db2.gz CIOJDSYARJACAP-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CCc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000075782101 370172295 /nfs/dbraw/zinc/17/22/95/370172295.db2.gz OWUSNLNSYWIDOW-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CCc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075782101 370172297 /nfs/dbraw/zinc/17/22/97/370172297.db2.gz OWUSNLNSYWIDOW-MRVPVSSYSA-N 1 2 213.281 0.835 20 0 BCADLO CN(C)c1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000075592896 370147140 /nfs/dbraw/zinc/14/71/40/370147140.db2.gz AJQWRSIHSZTHFU-UHFFFAOYSA-N 1 2 233.315 0.684 20 0 BCADLO CN(C)c1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000075592896 370147144 /nfs/dbraw/zinc/14/71/44/370147144.db2.gz AJQWRSIHSZTHFU-UHFFFAOYSA-N 1 2 233.315 0.684 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000621274891 370204906 /nfs/dbraw/zinc/20/49/06/370204906.db2.gz BWQWBBXPLWNLFI-DTWKUNHWSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000621274891 370204909 /nfs/dbraw/zinc/20/49/09/370204909.db2.gz BWQWBBXPLWNLFI-DTWKUNHWSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000621274893 370205319 /nfs/dbraw/zinc/20/53/19/370205319.db2.gz BWQWBBXPLWNLFI-RKDXNWHRSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000621274893 370205325 /nfs/dbraw/zinc/20/53/25/370205325.db2.gz BWQWBBXPLWNLFI-RKDXNWHRSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000621274892 370205647 /nfs/dbraw/zinc/20/56/47/370205647.db2.gz BWQWBBXPLWNLFI-IUCAKERBSA-N 1 2 238.328 0.216 20 0 BCADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000621274892 370205653 /nfs/dbraw/zinc/20/56/53/370205653.db2.gz BWQWBBXPLWNLFI-IUCAKERBSA-N 1 2 238.328 0.216 20 0 BCADLO CC[C@@H](O)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621329997 370263408 /nfs/dbraw/zinc/26/34/08/370263408.db2.gz WCKJWMHXFNZZRE-ZCFIWIBFSA-N 1 2 249.274 0.191 20 0 BCADLO CCc1cc(NC[C@@](C)(O)COC)nc[nH+]1 ZINC000309896003 370273426 /nfs/dbraw/zinc/27/34/26/370273426.db2.gz FVHMIMTUQGLNFQ-LLVKDONJSA-N 1 2 225.292 0.848 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)[nH]1 ZINC000621371439 370308317 /nfs/dbraw/zinc/30/83/17/370308317.db2.gz DGABMVOIOZLZDK-NXEZZACHSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)[nH]1 ZINC000621371439 370308321 /nfs/dbraw/zinc/30/83/21/370308321.db2.gz DGABMVOIOZLZDK-NXEZZACHSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)[nH]1 ZINC000621371440 370308441 /nfs/dbraw/zinc/30/84/41/370308441.db2.gz DGABMVOIOZLZDK-UWVGGRQHSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)[nH]1 ZINC000621371440 370308444 /nfs/dbraw/zinc/30/84/44/370308444.db2.gz DGABMVOIOZLZDK-UWVGGRQHSA-N 1 2 238.335 0.817 20 0 BCADLO CN1CC[N@H+](C)[C@@H](CNc2cccnn2)C1 ZINC000225344373 370384504 /nfs/dbraw/zinc/38/45/04/370384504.db2.gz NWOMJTSGJBDNHC-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CN1CC[N@@H+](C)[C@@H](CNc2cccnn2)C1 ZINC000225344373 370384507 /nfs/dbraw/zinc/38/45/07/370384507.db2.gz NWOMJTSGJBDNHC-JTQLQIEISA-N 1 2 221.308 0.134 20 0 BCADLO CCC[N@H+](CC(=O)NC)Cc1nccnc1C ZINC000621713740 370460871 /nfs/dbraw/zinc/46/08/71/370460871.db2.gz URPQHTIJGABARD-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO CCC[N@@H+](CC(=O)NC)Cc1nccnc1C ZINC000621713740 370460873 /nfs/dbraw/zinc/46/08/73/370460873.db2.gz URPQHTIJGABARD-UHFFFAOYSA-N 1 2 236.319 0.743 20 0 BCADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000621724479 370477190 /nfs/dbraw/zinc/47/71/90/370477190.db2.gz KBHFQONHJWDNLN-ONGXEEELSA-N 1 2 237.303 0.367 20 0 BCADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000621724479 370477192 /nfs/dbraw/zinc/47/71/92/370477192.db2.gz KBHFQONHJWDNLN-ONGXEEELSA-N 1 2 237.303 0.367 20 0 BCADLO CCOc1cncc(C[NH+]2CC(C(=O)NC)C2)c1 ZINC000621731640 370486306 /nfs/dbraw/zinc/48/63/06/370486306.db2.gz VUDJXZRCMNFTOP-UHFFFAOYSA-N 1 2 249.314 0.658 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC000621731841 370486319 /nfs/dbraw/zinc/48/63/19/370486319.db2.gz BLEKHGJWCCIJJF-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC000621731841 370486320 /nfs/dbraw/zinc/48/63/20/370486320.db2.gz BLEKHGJWCCIJJF-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC(C)(C(=O)N1CCCOCC1)c1c[nH+]c[nH]1 ZINC000621784445 370535782 /nfs/dbraw/zinc/53/57/82/370535782.db2.gz PAUYRBIAMVFVFG-UHFFFAOYSA-N 1 2 237.303 0.936 20 0 BCADLO CC(C)(CO)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621924516 370603664 /nfs/dbraw/zinc/60/36/64/370603664.db2.gz BTAPPLLEQOCUMX-UHFFFAOYSA-N 1 2 239.319 0.822 20 0 BCADLO COc1cc(C(=O)NCC[NH+]2CCC2)sn1 ZINC000621928749 370604806 /nfs/dbraw/zinc/60/48/06/370604806.db2.gz OLDXPYAOEZIXNK-UHFFFAOYSA-N 1 2 241.316 0.587 20 0 BCADLO CO[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621901664 370591639 /nfs/dbraw/zinc/59/16/39/370591639.db2.gz FKGMIYDVFBMROW-VIFPVBQESA-N 1 2 237.303 0.935 20 0 BCADLO CC(C)(C(=O)NCC(F)(F)CO)c1c[nH]c[nH+]1 ZINC000621956832 370619817 /nfs/dbraw/zinc/61/98/17/370619817.db2.gz ZWLPVNSIRGIXDD-UHFFFAOYSA-N 1 2 247.245 0.431 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](O)C1CCC1 ZINC000622668271 371047185 /nfs/dbraw/zinc/04/71/85/371047185.db2.gz KAMDDSHSIIADMI-SNVBAGLBSA-N 1 2 237.303 0.620 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1nccs1 ZINC000070159379 371008619 /nfs/dbraw/zinc/00/86/19/371008619.db2.gz GPSKWMSVVVFPDY-UHFFFAOYSA-N 1 2 213.306 0.759 20 0 BCADLO CCC1(CNC(=O)CCn2cc[nH+]c2)COC1 ZINC000622655066 371040446 /nfs/dbraw/zinc/04/04/46/371040446.db2.gz BOPIMUMLIVLZET-UHFFFAOYSA-N 1 2 237.303 0.816 20 0 BCADLO CCc1nc(C(=O)NCCc2cn(C)c[nH+]2)co1 ZINC000622685847 371062382 /nfs/dbraw/zinc/06/23/82/371062382.db2.gz NESBKGHRVAPZTN-UHFFFAOYSA-N 1 2 248.286 0.943 20 0 BCADLO CCOCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685830 371062778 /nfs/dbraw/zinc/06/27/78/371062778.db2.gz MCUGJSQRNZQQDY-UHFFFAOYSA-N 1 2 225.292 0.505 20 0 BCADLO COC1(C(=O)NCCc2cn(C)c[nH+]2)CCC1 ZINC000622686051 371063842 /nfs/dbraw/zinc/06/38/42/371063842.db2.gz XPYJNROKMIUZRN-UHFFFAOYSA-N 1 2 237.303 0.648 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)[C@@H](O)C2CCC2)c1 ZINC000622686881 371063939 /nfs/dbraw/zinc/06/39/39/371063939.db2.gz WJAVNLUSFGEGCS-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)c2cnc[nH]2)c1 ZINC000622686102 371064028 /nfs/dbraw/zinc/06/40/28/371064028.db2.gz ZEEHQOPDDKJSJL-UHFFFAOYSA-N 1 2 219.248 0.116 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)CCC(C)(C)O)c1 ZINC000622685882 371064046 /nfs/dbraw/zinc/06/40/46/371064046.db2.gz OKTJJYSXOZHEFL-UHFFFAOYSA-N 1 2 239.319 0.630 20 0 BCADLO Cc1nc(C)c(C(=O)NCCc2cn(C)c[nH+]2)o1 ZINC000622686080 371064054 /nfs/dbraw/zinc/06/40/54/371064054.db2.gz YMWGHZXVWARBNP-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO CC(C)[C@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686833 371064060 /nfs/dbraw/zinc/06/40/60/371064060.db2.gz UZRCPQBQCTZJCY-JTQLQIEISA-N 1 2 225.292 0.096 20 0 BCADLO Cc1nc(C(=O)NCCc2cn(C)c[nH+]2)c(C)o1 ZINC000622686258 371064098 /nfs/dbraw/zinc/06/40/98/371064098.db2.gz DHAOMTKMTIWZIE-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686834 371064291 /nfs/dbraw/zinc/06/42/91/371064291.db2.gz UZRCPQBQCTZJCY-SNVBAGLBSA-N 1 2 225.292 0.096 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624124541 371325836 /nfs/dbraw/zinc/32/58/36/371325836.db2.gz FPKHKUOPRTVGAB-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@@H](F)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624124541 371325839 /nfs/dbraw/zinc/32/58/39/371325839.db2.gz FPKHKUOPRTVGAB-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO COC1CC(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000624156202 371351013 /nfs/dbraw/zinc/35/10/13/371351013.db2.gz UFLAWZHVCLTJIJ-KPPDAEKUSA-N 1 2 237.303 0.813 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000624174407 371365262 /nfs/dbraw/zinc/36/52/62/371365262.db2.gz WUHXTJIOSJSIGR-GXSJLCMTSA-N 1 2 238.335 0.699 20 0 BCADLO CC/C=C\CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624150999 371348777 /nfs/dbraw/zinc/34/87/77/371348777.db2.gz DTLIQUFXHZKHNN-DOGVGXBMSA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C\CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624150999 371348778 /nfs/dbraw/zinc/34/87/78/371348778.db2.gz DTLIQUFXHZKHNN-DOGVGXBMSA-N 1 2 241.335 0.582 20 0 BCADLO Cn1cnc2c1ncnc2NCCn1cc[nH+]c1 ZINC000624496925 371522575 /nfs/dbraw/zinc/52/25/75/371522575.db2.gz GMPNZHHZIVYQSL-UHFFFAOYSA-N 1 2 243.274 0.672 20 0 BCADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1nc[nH]n1)CC2 ZINC000624365798 371493652 /nfs/dbraw/zinc/49/36/52/371493652.db2.gz FTSGLRVPJKHICC-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO C[C@H](CC(=O)NC[C@@H](C)CCO)n1cc[nH+]c1 ZINC000573006649 326424455 /nfs/dbraw/zinc/42/44/55/326424455.db2.gz IIWLQLROXKFDNI-WDEREUQCSA-N 1 2 239.319 0.969 20 0 BCADLO O=C(Cc1cscn1)N1CCc2[nH]c[nH+]c2C1 ZINC000627375041 371591118 /nfs/dbraw/zinc/59/11/18/371591118.db2.gz KKUDKRBQFNGSHS-UHFFFAOYSA-N 1 2 248.311 0.994 20 0 BCADLO O=C(Cc1cscn1)N1CCc2[nH+]c[nH]c2C1 ZINC000627375041 371591125 /nfs/dbraw/zinc/59/11/25/371591125.db2.gz KKUDKRBQFNGSHS-UHFFFAOYSA-N 1 2 248.311 0.994 20 0 BCADLO Nc1[nH+]cnc(N2CC(CO)C2)c1Cl ZINC000192354763 181805427 /nfs/dbraw/zinc/80/54/27/181805427.db2.gz FTWVJCISVVMIII-UHFFFAOYSA-N 1 2 214.656 0.141 20 0 BCADLO Nc1nc[nH+]c(N2CC(CO)C2)c1Cl ZINC000192354763 181805430 /nfs/dbraw/zinc/80/54/30/181805430.db2.gz FTWVJCISVVMIII-UHFFFAOYSA-N 1 2 214.656 0.141 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)COCC(F)F)c1 ZINC000627713555 371876798 /nfs/dbraw/zinc/87/67/98/371876798.db2.gz XIKLGGRWHAGCJN-UHFFFAOYSA-N 1 2 247.245 0.361 20 0 BCADLO CC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000306712255 372058794 /nfs/dbraw/zinc/05/87/94/372058794.db2.gz OQYFBMTURUZXQC-ZETCQYMHSA-N 1 2 211.183 0.575 20 0 BCADLO CC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000306712255 372058799 /nfs/dbraw/zinc/05/87/99/372058799.db2.gz OQYFBMTURUZXQC-ZETCQYMHSA-N 1 2 211.183 0.575 20 0 BCADLO Cc1noc(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000631342555 372303051 /nfs/dbraw/zinc/30/30/51/372303051.db2.gz ZFVMSZIQLHKXBD-UHFFFAOYSA-N 1 2 249.274 0.785 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000171041396 372265839 /nfs/dbraw/zinc/26/58/39/372265839.db2.gz IOZZCYHLUCKTDZ-NXEZZACHSA-N 1 2 241.335 0.241 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000171041396 372265842 /nfs/dbraw/zinc/26/58/42/372265842.db2.gz IOZZCYHLUCKTDZ-NXEZZACHSA-N 1 2 241.335 0.241 20 0 BCADLO Nc1cccnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301108 372285077 /nfs/dbraw/zinc/28/50/77/372285077.db2.gz DIEPRAGGUBCZCF-UHFFFAOYSA-N 1 2 243.270 0.557 20 0 BCADLO CCCCc1cc(N[C@H](CO)[C@@H](C)O)nc[nH+]1 ZINC000631302022 372286951 /nfs/dbraw/zinc/28/69/51/372286951.db2.gz TWHAMVRLRRBHDX-MWLCHTKSSA-N 1 2 239.319 0.973 20 0 BCADLO C[C@@H]1C[C@H]1c1noc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000631382700 372326810 /nfs/dbraw/zinc/32/68/10/372326810.db2.gz BSCCBZJIRRKHDD-RNFRBKRXSA-N 1 2 247.258 0.846 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)C(=O)c1ccc[nH]1 ZINC000631470150 372382799 /nfs/dbraw/zinc/38/27/99/372382799.db2.gz WYEUKSIPPYVKEW-UHFFFAOYSA-N 1 2 246.270 0.730 20 0 BCADLO CCCOCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419045 372574388 /nfs/dbraw/zinc/57/43/88/372574388.db2.gz HBZWXSCLJUFTHT-UHFFFAOYSA-N 1 2 244.335 0.204 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000631996452 372717152 /nfs/dbraw/zinc/71/71/52/372717152.db2.gz COAVNGUXGDRTEW-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1nocc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000631996452 372717156 /nfs/dbraw/zinc/71/71/56/372717156.db2.gz COAVNGUXGDRTEW-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)Nc1cc[nH+]cc1O ZINC000632170328 372790238 /nfs/dbraw/zinc/79/02/38/372790238.db2.gz TVCQEVFPLRIXHB-QMMMGPOBSA-N 1 2 237.259 0.062 20 0 BCADLO CC(C)C1(S(=O)(=O)NCC[NH+]2CCC2)CC1 ZINC000632134117 372770610 /nfs/dbraw/zinc/77/06/10/372770610.db2.gz LIVUTEIDVAWWJJ-UHFFFAOYSA-N 1 2 246.376 0.800 20 0 BCADLO COCC[C@@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142677 372778749 /nfs/dbraw/zinc/77/87/49/372778749.db2.gz HBLKQMCZPOCXRN-MRVPVSSYSA-N 1 2 247.320 0.254 20 0 BCADLO C[C@@H]1CCCN1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142626 372778909 /nfs/dbraw/zinc/77/89/09/372778909.db2.gz GHXXXNGWXNXPRX-MRVPVSSYSA-N 1 2 244.320 0.228 20 0 BCADLO CC[C@H](CS(=O)(=O)NCc1[nH]cc[nH+]1)OC ZINC000632144133 372780507 /nfs/dbraw/zinc/78/05/07/372780507.db2.gz PMOAIFWSQHXVEW-MRVPVSSYSA-N 1 2 247.320 0.254 20 0 BCADLO CCn1cc[nH+]c1[C@H](C)NS(C)(=O)=O ZINC000632405642 372922898 /nfs/dbraw/zinc/92/28/98/372922898.db2.gz XDESHPPQDPWZNR-ZETCQYMHSA-N 1 2 217.294 0.513 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)C1CC1 ZINC000331506372 182070492 /nfs/dbraw/zinc/07/04/92/182070492.db2.gz RLVSYUDQMXNUDH-SNVBAGLBSA-N 1 2 223.276 0.018 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](F)C1 ZINC000336320974 182071631 /nfs/dbraw/zinc/07/16/31/182071631.db2.gz AFZCUSIPCAELRD-IUCAKERBSA-N 1 2 211.240 0.890 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCC(F)(F)F ZINC000070162501 182071489 /nfs/dbraw/zinc/07/14/89/182071489.db2.gz SGNWIYYMFOAIOR-UHFFFAOYSA-N 1 2 207.155 0.562 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCc1ncccc1O ZINC000360449138 182071819 /nfs/dbraw/zinc/07/18/19/182071819.db2.gz RKIKCJOOVKNLLM-UHFFFAOYSA-N 1 2 232.243 0.300 20 0 BCADLO CC(C)=CCNC(=O)C1([NH+]2CCOCC2)CC1 ZINC000632738793 373122494 /nfs/dbraw/zinc/12/24/94/373122494.db2.gz IFLHKHRRDYBLQG-UHFFFAOYSA-N 1 2 238.331 0.934 20 0 BCADLO CC[C@@H](COC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633044559 373260204 /nfs/dbraw/zinc/26/02/04/373260204.db2.gz NEEXNIHBPUEWCF-VIFPVBQESA-N 1 2 240.307 0.976 20 0 BCADLO Cc1conc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000633130980 373299378 /nfs/dbraw/zinc/29/93/78/373299378.db2.gz BYXAYVUEOUFTLX-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1conc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000633130980 373299386 /nfs/dbraw/zinc/29/93/86/373299386.db2.gz BYXAYVUEOUFTLX-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO O=C(NC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363097178 182098358 /nfs/dbraw/zinc/09/83/58/182098358.db2.gz OAIPYHGNLPOGCP-QMMMGPOBSA-N 1 2 205.261 0.724 20 0 BCADLO O=C(NC1CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000376320806 182098492 /nfs/dbraw/zinc/09/84/92/182098492.db2.gz WBNBZORIEPRPTR-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO O=C(NC1CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000376320806 182098493 /nfs/dbraw/zinc/09/84/93/182098493.db2.gz WBNBZORIEPRPTR-GFCCVEGCSA-N 1 2 238.331 0.766 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCn1cccn1 ZINC000633079542 373287011 /nfs/dbraw/zinc/28/70/11/373287011.db2.gz BSXWKRKJHPRUIG-UHFFFAOYSA-N 1 2 248.290 0.448 20 0 BCADLO C[C@H](CF)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633243261 373401704 /nfs/dbraw/zinc/40/17/04/373401704.db2.gz OIBXJSYHWJJGKO-SSDOTTSWSA-N 1 2 214.244 0.909 20 0 BCADLO Cc1conc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000633304130 373462091 /nfs/dbraw/zinc/46/20/91/373462091.db2.gz BDJPRVGULDGQAI-MRVPVSSYSA-N 1 2 232.243 0.534 20 0 BCADLO Cc1conc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000633394279 373522363 /nfs/dbraw/zinc/52/23/63/373522363.db2.gz YAEWPQLYQVRGGQ-UHFFFAOYSA-N 1 2 234.259 0.689 20 0 BCADLO Cc1nocc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000633556262 373592462 /nfs/dbraw/zinc/59/24/62/373592462.db2.gz UJYJTPYLVDYGGA-VIFPVBQESA-N 1 2 246.270 0.924 20 0 BCADLO C[C@H](NC(=O)C1CSC1)c1[nH+]ccn1C ZINC000633648422 373657577 /nfs/dbraw/zinc/65/75/77/373657577.db2.gz FUIMNOVGNLALGB-ZETCQYMHSA-N 1 2 225.317 0.960 20 0 BCADLO C[C@H](NC(=O)c1ncccc1N)c1[nH+]ccn1C ZINC000633648284 373657876 /nfs/dbraw/zinc/65/78/76/373657876.db2.gz CTVDYIFGPINXCL-QMMMGPOBSA-N 1 2 245.286 0.888 20 0 BCADLO C[C@@H](NC(=O)c1c[nH]c(=O)n1C)c1[nH+]ccn1C ZINC000633649720 373659535 /nfs/dbraw/zinc/65/95/35/373659535.db2.gz OXUCVIIDUGSXDU-SSDOTTSWSA-N 1 2 249.274 0.350 20 0 BCADLO COCC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000189283975 205695306 /nfs/dbraw/zinc/69/53/06/205695306.db2.gz PEDVOZPTEKTGPJ-SECBINFHSA-N 1 2 239.323 0.630 20 0 BCADLO Cc1conc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633604237 373621370 /nfs/dbraw/zinc/62/13/70/373621370.db2.gz KZHRSVJDWCRSJY-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO Cc1conc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633604237 373621376 /nfs/dbraw/zinc/62/13/76/373621376.db2.gz KZHRSVJDWCRSJY-UHFFFAOYSA-N 1 2 220.232 0.978 20 0 BCADLO O=C(NCCCF)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309072914 182167120 /nfs/dbraw/zinc/16/71/20/182167120.db2.gz GTEXCYHJHYQLGH-ZCFIWIBFSA-N 1 2 210.199 0.459 20 0 BCADLO O=C(NCCCF)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309072913 182167415 /nfs/dbraw/zinc/16/74/15/182167415.db2.gz GTEXCYHJHYQLGH-LURJTMIESA-N 1 2 210.199 0.459 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)c1ncccc1O ZINC000037760648 182178571 /nfs/dbraw/zinc/17/85/71/182178571.db2.gz IDWKDSGHPQHWOX-UHFFFAOYSA-N 1 2 246.270 0.804 20 0 BCADLO OCC[NH+](CCO)Cc1noc2c1CCCC2 ZINC000173659529 373824087 /nfs/dbraw/zinc/82/40/87/373824087.db2.gz NFYSAEXDWOYUCH-UHFFFAOYSA-N 1 2 240.303 0.340 20 0 BCADLO O=C(NCCNc1cccc[nH+]1)c1nnc[nH]1 ZINC000358561786 182189532 /nfs/dbraw/zinc/18/95/32/182189532.db2.gz SYDAZDBZIQRKHE-UHFFFAOYSA-N 1 2 232.247 0.042 20 0 BCADLO COCC1(C2CC2)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000634054141 373931766 /nfs/dbraw/zinc/93/17/66/373931766.db2.gz HMYLZIZPQAVEHR-UHFFFAOYSA-N 1 2 249.314 0.768 20 0 BCADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000170787747 182214577 /nfs/dbraw/zinc/21/45/77/182214577.db2.gz DYAOCWRCRFKUPX-SNVBAGLBSA-N 1 2 223.276 0.426 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N1CCCCO1 ZINC000282690146 182215546 /nfs/dbraw/zinc/21/55/46/182215546.db2.gz DYWGERMTVLBRMT-UHFFFAOYSA-N 1 2 224.264 0.620 20 0 BCADLO C[C@@H](CC(=O)NC1(C)COC1)n1cc[nH+]c1 ZINC000634192569 374011767 /nfs/dbraw/zinc/01/17/67/374011767.db2.gz LEBWBBHOQGDYPR-VIFPVBQESA-N 1 2 223.276 0.739 20 0 BCADLO CC[C@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000634199088 374016573 /nfs/dbraw/zinc/01/65/73/374016573.db2.gz COMNCADZAQYPAK-LBPRGKRZSA-N 1 2 237.303 0.647 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000359784202 182212372 /nfs/dbraw/zinc/21/23/72/182212372.db2.gz AMIZYQHJNPZOSL-JOYOIKCWSA-N 1 2 235.287 0.495 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000359784200 182212592 /nfs/dbraw/zinc/21/25/92/182212592.db2.gz AMIZYQHJNPZOSL-CABZTGNLSA-N 1 2 235.287 0.495 20 0 BCADLO N[C@]1(C(=O)NCCCn2cc[nH+]c2)CC1(F)F ZINC000634250634 374050790 /nfs/dbraw/zinc/05/07/90/374050790.db2.gz SMFLEDHMWVJSOF-VIFPVBQESA-N 1 2 244.245 0.126 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(N)CC1(F)F ZINC000634251870 374051999 /nfs/dbraw/zinc/05/19/99/374051999.db2.gz NYCWRTTYVRZGIG-VXNVDRBHSA-N 1 2 244.245 0.124 20 0 BCADLO C[C@H](CC(=O)NC1COC1)n1cc[nH+]c1 ZINC000634260363 374075117 /nfs/dbraw/zinc/07/51/17/374075117.db2.gz MHCXNKKHRSZLQX-MRVPVSSYSA-N 1 2 209.249 0.349 20 0 BCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000369901617 182245503 /nfs/dbraw/zinc/24/55/03/182245503.db2.gz WYVQUSSFIKKTOD-NSHDSACASA-N 1 2 239.319 0.311 20 0 BCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000369901617 182245505 /nfs/dbraw/zinc/24/55/05/182245505.db2.gz WYVQUSSFIKKTOD-NSHDSACASA-N 1 2 239.319 0.311 20 0 BCADLO CCCNC(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000042366925 374265809 /nfs/dbraw/zinc/26/58/09/374265809.db2.gz OBIGAPHVFGAWRC-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO CCCNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042366925 374265814 /nfs/dbraw/zinc/26/58/14/374265814.db2.gz OBIGAPHVFGAWRC-UHFFFAOYSA-N 1 2 243.351 0.359 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)NCC(F)(F)F ZINC000127745279 182273407 /nfs/dbraw/zinc/27/34/07/182273407.db2.gz OWKQFSZFFGNUDQ-UHFFFAOYSA-N 1 2 222.170 0.771 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](O)Cc1ccccc1 ZINC000355999975 182273662 /nfs/dbraw/zinc/27/36/62/182273662.db2.gz MMCQFRAIUGLACH-NSHDSACASA-N 1 2 245.282 0.630 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356570957 182274003 /nfs/dbraw/zinc/27/40/03/182274003.db2.gz CXBVSWYZRHRRPP-SZEHBUNVSA-N 1 2 221.260 0.451 20 0 BCADLO CCOC(=O)CC[NH2+]C(C)(C)C(=O)OCC ZINC000173461526 206005568 /nfs/dbraw/zinc/00/55/68/206005568.db2.gz AOWSDYMWUHOMPM-UHFFFAOYSA-N 1 2 231.292 0.871 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)c1cccc(CO)c1 ZINC000362820465 182270644 /nfs/dbraw/zinc/27/06/44/182270644.db2.gz OAZYPLOQADDZML-UHFFFAOYSA-N 1 2 231.255 0.832 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)c1cccc(CO)c1 ZINC000362820465 182270646 /nfs/dbraw/zinc/27/06/46/182270646.db2.gz OAZYPLOQADDZML-UHFFFAOYSA-N 1 2 231.255 0.832 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356601962 182270697 /nfs/dbraw/zinc/27/06/97/182270697.db2.gz UNPAFSFSYFNDPG-OPRDCNLKSA-N 1 2 221.260 0.451 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356601962 182270700 /nfs/dbraw/zinc/27/07/00/182270700.db2.gz UNPAFSFSYFNDPG-OPRDCNLKSA-N 1 2 221.260 0.451 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@H]1C(F)F ZINC000338199097 182270967 /nfs/dbraw/zinc/27/09/67/182270967.db2.gz VGGSZFPCTMOCQM-RQJHMYQMSA-N 1 2 215.203 0.927 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@H]1C(F)F ZINC000338199097 182270971 /nfs/dbraw/zinc/27/09/71/182270971.db2.gz VGGSZFPCTMOCQM-RQJHMYQMSA-N 1 2 215.203 0.927 20 0 BCADLO CNc1[nH+]cnc2c1cnn2Cc1ncnn1C ZINC000435798444 206065724 /nfs/dbraw/zinc/06/57/24/206065724.db2.gz IBBSAWOCBDSOTB-UHFFFAOYSA-N 1 2 244.262 0.045 20 0 BCADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cnccn1 ZINC000366456639 182312886 /nfs/dbraw/zinc/31/28/86/182312886.db2.gz NHXUVTJBIDGYTE-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cnccn1 ZINC000366456639 182312889 /nfs/dbraw/zinc/31/28/89/182312889.db2.gz NHXUVTJBIDGYTE-MRVPVSSYSA-N 1 2 243.270 0.487 20 0 BCADLO O=C(N[C@H]1CC[C@@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000367338996 182340115 /nfs/dbraw/zinc/34/01/15/182340115.db2.gz HKFKRXKTXUOTLX-OUAUKWLOSA-N 1 2 249.314 0.475 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cnsn1 ZINC000378198855 182343102 /nfs/dbraw/zinc/34/31/02/182343102.db2.gz GECIUMPTRHLGPE-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cnsn1 ZINC000378198855 182343105 /nfs/dbraw/zinc/34/31/05/182343105.db2.gz GECIUMPTRHLGPE-LURJTMIESA-N 1 2 249.299 0.549 20 0 BCADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=COCCO1 ZINC000371363185 182343121 /nfs/dbraw/zinc/34/31/21/182343121.db2.gz ZQBDPMMVHZMYEA-QMMMGPOBSA-N 1 2 249.270 0.271 20 0 BCADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=COCCO1 ZINC000371363185 182343122 /nfs/dbraw/zinc/34/31/22/182343122.db2.gz ZQBDPMMVHZMYEA-QMMMGPOBSA-N 1 2 249.270 0.271 20 0 BCADLO O=C(Nc1ccc(Cl)nc1)[C@H]1COCC[NH2+]1 ZINC000122141134 182353759 /nfs/dbraw/zinc/35/37/59/182353759.db2.gz UINFIHDQYYDBFK-MRVPVSSYSA-N 1 2 241.678 0.662 20 0 BCADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@@H]1O ZINC000167129953 206145052 /nfs/dbraw/zinc/14/50/52/206145052.db2.gz WVUXGPBHBCPMSI-SCZZXKLOSA-N 1 2 247.302 0.570 20 0 BCADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1COCCO1 ZINC000266115256 182374871 /nfs/dbraw/zinc/37/48/71/182374871.db2.gz PVOGSKSMSQDYED-VIFPVBQESA-N 1 2 247.254 0.688 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367138524 170059573 /nfs/dbraw/zinc/05/95/73/170059573.db2.gz QCZRROJZGQTHSP-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO O=C(c1nc[nH]n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000269609933 182706583 /nfs/dbraw/zinc/70/65/83/182706583.db2.gz RKHNTNKNRVQBJT-MRVPVSSYSA-N 1 2 246.274 0.895 20 0 BCADLO O=c1c2c([nH]n1-c1ccccc1)CC[NH2+]C2 ZINC000012410169 182842436 /nfs/dbraw/zinc/84/24/36/182842436.db2.gz DXEXFLYIMCCQPI-JTQLQIEISA-N 1 2 215.256 0.999 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291389360 182832065 /nfs/dbraw/zinc/83/20/65/182832065.db2.gz BHBAOPCHHKSDBK-VHSXEESVSA-N 1 2 221.260 0.445 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291389360 182832068 /nfs/dbraw/zinc/83/20/68/182832068.db2.gz BHBAOPCHHKSDBK-VHSXEESVSA-N 1 2 221.260 0.445 20 0 BCADLO CC[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178727055 134310809 /nfs/dbraw/zinc/31/08/09/134310809.db2.gz MAXYTBUNQLSUED-WDEREUQCSA-N 1 2 225.336 0.149 20 0 BCADLO O=S1CC[NH+](CCc2ccccn2)CC1 ZINC000111223464 182917300 /nfs/dbraw/zinc/91/73/00/182917300.db2.gz CTLFZPIPENFJNA-UHFFFAOYSA-N 1 2 224.329 0.688 20 0 BCADLO O=c1nc(C[N@@H+]2CCCc3occc3C2)[nH][nH]1 ZINC000288876257 183009926 /nfs/dbraw/zinc/00/99/26/183009926.db2.gz QTSCIDZCXPGLJB-UHFFFAOYSA-N 1 2 234.259 0.639 20 0 BCADLO O=c1nc(C[N@H+]2CCCc3occc3C2)[nH][nH]1 ZINC000288876257 183009928 /nfs/dbraw/zinc/00/99/28/183009928.db2.gz QTSCIDZCXPGLJB-UHFFFAOYSA-N 1 2 234.259 0.639 20 0 BCADLO OCC(CO)Nc1cc[nH+]c2ccncc12 ZINC000267980591 183034115 /nfs/dbraw/zinc/03/41/15/183034115.db2.gz PDDQGVRLCYJSJN-UHFFFAOYSA-N 1 2 219.244 0.395 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCO)C2)[nH]1 ZINC000377595827 183055085 /nfs/dbraw/zinc/05/50/85/183055085.db2.gz VZLRYERWAFTVNY-MRVPVSSYSA-N 1 2 226.280 0.072 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCO)C2)[nH]1 ZINC000377595827 183055087 /nfs/dbraw/zinc/05/50/87/183055087.db2.gz VZLRYERWAFTVNY-MRVPVSSYSA-N 1 2 226.280 0.072 20 0 BCADLO OCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275877173 183059333 /nfs/dbraw/zinc/05/93/33/183059333.db2.gz PMSVXBLNGWYFPV-NSHDSACASA-N 1 2 232.287 0.866 20 0 BCADLO OCCCNc1cc(NCCCO)[nH+]cn1 ZINC000120367972 183060687 /nfs/dbraw/zinc/06/06/87/183060687.db2.gz CIRIHJSEUOOLHY-UHFFFAOYSA-N 1 2 226.280 0.065 20 0 BCADLO OCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000308869612 183080492 /nfs/dbraw/zinc/08/04/92/183080492.db2.gz ILOCWWQSIGLQSF-UHFFFAOYSA-N 1 2 204.233 0.672 20 0 BCADLO OCC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000336700912 183092425 /nfs/dbraw/zinc/09/24/25/183092425.db2.gz XKSXOHVFFTTZBP-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO OCC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000336700912 183092427 /nfs/dbraw/zinc/09/24/27/183092427.db2.gz XKSXOHVFFTTZBP-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486188 183111639 /nfs/dbraw/zinc/11/16/39/183111639.db2.gz ZPKLXDMTGXVISZ-ZETCQYMHSA-N 1 2 236.193 0.866 20 0 BCADLO OC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000086831568 183127631 /nfs/dbraw/zinc/12/76/31/183127631.db2.gz BVXGFSOXXKWQQK-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000086831568 183127635 /nfs/dbraw/zinc/12/76/35/183127635.db2.gz BVXGFSOXXKWQQK-NSHDSACASA-N 1 2 208.261 0.275 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC000186551070 183129976 /nfs/dbraw/zinc/12/99/76/183129976.db2.gz KVIZCQNUMPHCDF-UWVGGRQHSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)nc1 ZINC000186551070 183129977 /nfs/dbraw/zinc/12/99/77/183129977.db2.gz KVIZCQNUMPHCDF-UWVGGRQHSA-N 1 2 242.706 0.663 20 0 BCADLO OC[C@H]1C[N@H+](Cc2cc[nH]n2)CCC1(F)F ZINC000361062040 183155064 /nfs/dbraw/zinc/15/50/64/183155064.db2.gz SBZVVQOPZRFDCU-MRVPVSSYSA-N 1 2 231.246 0.859 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2cc[nH]n2)CCC1(F)F ZINC000361062040 183155066 /nfs/dbraw/zinc/15/50/66/183155066.db2.gz SBZVVQOPZRFDCU-MRVPVSSYSA-N 1 2 231.246 0.859 20 0 BCADLO OC[C@H]1C[C@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000374942302 183156808 /nfs/dbraw/zinc/15/68/08/183156808.db2.gz DHCTUSXSGMYSBV-ZJUUUORDSA-N 1 2 245.282 0.562 20 0 BCADLO O[C@@H](C[NH2+]Cc1cc[nH]n1)C(F)(F)F ZINC000163801596 183179438 /nfs/dbraw/zinc/17/94/38/183179438.db2.gz LKUFMAUYVYYRKT-LURJTMIESA-N 1 2 209.171 0.423 20 0 BCADLO O[C@@H](COCC(F)(F)F)Cn1cc[nH+]c1 ZINC000292502126 183182255 /nfs/dbraw/zinc/18/22/55/183182255.db2.gz SQIOPYKSCUGAGM-SSDOTTSWSA-N 1 2 224.182 0.823 20 0 BCADLO CCCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338076753 169058536 /nfs/dbraw/zinc/05/85/36/169058536.db2.gz IWPQKZXQNROTCS-NSHDSACASA-N 1 2 227.352 0.491 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000295786827 183208577 /nfs/dbraw/zinc/20/85/77/183208577.db2.gz ZJFJEWQIUBMMEE-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000295786827 183208579 /nfs/dbraw/zinc/20/85/79/183208579.db2.gz ZJFJEWQIUBMMEE-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccc(Cl)o2)C[C@H]1O ZINC000334572868 183205792 /nfs/dbraw/zinc/20/57/92/183205792.db2.gz WZRFHYNAHMXAQB-HTQZYQBOSA-N 1 2 217.652 0.470 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000295459650 183207725 /nfs/dbraw/zinc/20/77/25/183207725.db2.gz FLNXDQZHKVWRQR-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000295459650 183207728 /nfs/dbraw/zinc/20/77/28/183207728.db2.gz FLNXDQZHKVWRQR-JTQLQIEISA-N 1 2 242.706 0.928 20 0 BCADLO O[C@@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000236529913 183206341 /nfs/dbraw/zinc/20/63/41/183206341.db2.gz RETPHOQNUACJMH-GHMZBOCLSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@@H]1C[NH+](Cc2cccc(F)c2F)C[C@H]1O ZINC000236530232 183207012 /nfs/dbraw/zinc/20/70/12/183207012.db2.gz MZSGBTHUZNLGAT-NXEZZACHSA-N 1 2 229.226 0.502 20 0 BCADLO O[C@H](COc1ccccc1)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368327919 183225916 /nfs/dbraw/zinc/22/59/16/183225916.db2.gz HIVBVVLVQLSARY-YUTCNCBUSA-N 1 2 249.310 0.899 20 0 BCADLO O[C@H](COc1ccccc1)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368327919 183225918 /nfs/dbraw/zinc/22/59/18/183225918.db2.gz HIVBVVLVQLSARY-YUTCNCBUSA-N 1 2 249.310 0.899 20 0 BCADLO O[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000236526855 183209175 /nfs/dbraw/zinc/20/91/75/183209175.db2.gz GTTOJAIIIVBHMS-NXEZZACHSA-N 1 2 219.244 0.105 20 0 BCADLO O[C@@H]1COC[C@H]1[N@@H+]1CCc2ncsc2C1 ZINC000361388196 183210397 /nfs/dbraw/zinc/21/03/97/183210397.db2.gz CZLRSVFBLSZIGV-RKDXNWHRSA-N 1 2 226.301 0.261 20 0 BCADLO O[C@@H]1COC[C@H]1[N@H+]1CCc2ncsc2C1 ZINC000361388196 183210401 /nfs/dbraw/zinc/21/04/01/183210401.db2.gz CZLRSVFBLSZIGV-RKDXNWHRSA-N 1 2 226.301 0.261 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)OCC ZINC000043638812 169093108 /nfs/dbraw/zinc/09/31/08/169093108.db2.gz CKRLJQKKMJLYFO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)OCC ZINC000043638812 169093109 /nfs/dbraw/zinc/09/31/09/169093109.db2.gz CKRLJQKKMJLYFO-SNVBAGLBSA-N 1 2 244.335 0.738 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CCC1 ZINC000353419815 169093465 /nfs/dbraw/zinc/09/34/65/169093465.db2.gz CPVYTHZGFNZWGP-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCC1 ZINC000353419815 169093468 /nfs/dbraw/zinc/09/34/68/169093468.db2.gz CPVYTHZGFNZWGP-UHFFFAOYSA-N 1 2 241.335 0.019 20 0 BCADLO CCC[N@H+](CC(F)F)C[C@](C)(O)C(=O)OC ZINC000353498130 169109168 /nfs/dbraw/zinc/10/91/68/169109168.db2.gz GBYYVGDAOPIGPP-JTQLQIEISA-N 1 2 239.262 0.888 20 0 BCADLO CCC[N@@H+](CC(F)F)C[C@](C)(O)C(=O)OC ZINC000353498130 169109170 /nfs/dbraw/zinc/10/91/70/169109170.db2.gz GBYYVGDAOPIGPP-JTQLQIEISA-N 1 2 239.262 0.888 20 0 BCADLO Oc1cc(F)cc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000294753047 183259131 /nfs/dbraw/zinc/25/91/31/183259131.db2.gz IKWGGQKSBZODRY-GFCCVEGCSA-N 1 2 241.262 0.724 20 0 BCADLO Oc1cc(F)cc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000294753047 183259133 /nfs/dbraw/zinc/25/91/33/183259133.db2.gz IKWGGQKSBZODRY-GFCCVEGCSA-N 1 2 241.262 0.724 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)[nH]1 ZINC000328871892 183307190 /nfs/dbraw/zinc/30/71/90/183307190.db2.gz DQMJOQIURHFUTD-RKDXNWHRSA-N 1 2 238.291 0.654 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)[nH]1 ZINC000328871892 183307193 /nfs/dbraw/zinc/30/71/93/183307193.db2.gz DQMJOQIURHFUTD-RKDXNWHRSA-N 1 2 238.291 0.654 20 0 BCADLO CCCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC000280294890 169160672 /nfs/dbraw/zinc/16/06/72/169160672.db2.gz NTERKDSBTKCDGY-UHFFFAOYSA-N 1 2 239.319 0.584 20 0 BCADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)[nH]1 ZINC000331403930 183306605 /nfs/dbraw/zinc/30/66/05/183306605.db2.gz BFHOPARPCKEUNB-DJLDLDEBSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)[nH]1 ZINC000331403930 183306607 /nfs/dbraw/zinc/30/66/07/183306607.db2.gz BFHOPARPCKEUNB-DJLDLDEBSA-N 1 2 238.291 0.103 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)[nH]1 ZINC000328871890 183307368 /nfs/dbraw/zinc/30/73/68/183307368.db2.gz DQMJOQIURHFUTD-DTWKUNHWSA-N 1 2 238.291 0.654 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)[nH]1 ZINC000328871890 183307370 /nfs/dbraw/zinc/30/73/70/183307370.db2.gz DQMJOQIURHFUTD-DTWKUNHWSA-N 1 2 238.291 0.654 20 0 BCADLO CCCN(CCO)c1[nH+]cnc2c1cnn2C ZINC000042453463 169168407 /nfs/dbraw/zinc/16/84/07/169168407.db2.gz LMMZAGWDIUHJKP-UHFFFAOYSA-N 1 2 235.291 0.572 20 0 BCADLO c1c[nH+]c(CN2CCn3c(nnc3C3CC3)C2)[nH]1 ZINC000353613719 183324762 /nfs/dbraw/zinc/32/47/62/183324762.db2.gz PXHDYCWFPFMZQQ-UHFFFAOYSA-N 1 2 244.302 0.894 20 0 BCADLO c1c[nH]c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1 ZINC000335630626 183325574 /nfs/dbraw/zinc/32/55/74/183325574.db2.gz IIUJOACQCNAXAL-SECBINFHSA-N 1 2 217.276 0.780 20 0 BCADLO O=C1N=NC2C[N@H+](CC[C@H]3CCCO3)CCN12 ZINC000329927546 183310534 /nfs/dbraw/zinc/31/05/34/183310534.db2.gz XBBJJEFOUVNFLH-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO O=C1N=NC2C[N@@H+](CC[C@H]3CCCO3)CCN12 ZINC000329927546 183310537 /nfs/dbraw/zinc/31/05/37/183310537.db2.gz XBBJJEFOUVNFLH-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC[C@H]1CCCO1)C2 ZINC000329927546 183310538 /nfs/dbraw/zinc/31/05/38/183310538.db2.gz XBBJJEFOUVNFLH-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC[C@H]1CCCO1)C2 ZINC000329927546 183310541 /nfs/dbraw/zinc/31/05/41/183310541.db2.gz XBBJJEFOUVNFLH-SECBINFHSA-N 1 2 238.291 0.368 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078821480 169223801 /nfs/dbraw/zinc/22/38/01/169223801.db2.gz UOVAHZHQDSQYDE-AOOOYVTPSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078821480 169223803 /nfs/dbraw/zinc/22/38/03/169223803.db2.gz UOVAHZHQDSQYDE-AOOOYVTPSA-N 1 2 214.309 0.622 20 0 BCADLO CCCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345200 169224444 /nfs/dbraw/zinc/22/44/44/169224444.db2.gz OPNSSTHBEBMRLM-AOOOYVTPSA-N 1 2 212.293 0.376 20 0 BCADLO CCCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345200 169224445 /nfs/dbraw/zinc/22/44/45/169224445.db2.gz OPNSSTHBEBMRLM-AOOOYVTPSA-N 1 2 212.293 0.376 20 0 BCADLO CCCNC(=O)C[NH2+]Cc1ccn(C)n1 ZINC000112338881 169228029 /nfs/dbraw/zinc/22/80/29/169228029.db2.gz QSWZBTQYBPTSGY-UHFFFAOYSA-N 1 2 210.281 0.036 20 0 BCADLO CCCNC(=O)CNc1nc[nH+]c(N)c1Cl ZINC000233050614 169230736 /nfs/dbraw/zinc/23/07/36/169230736.db2.gz ZCBJXOCJEPPRIM-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO CCCNC(=O)CNc1[nH+]cnc(N)c1Cl ZINC000233050614 169230737 /nfs/dbraw/zinc/23/07/37/169230737.db2.gz ZCBJXOCJEPPRIM-UHFFFAOYSA-N 1 2 243.698 0.650 20 0 BCADLO c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)n[nH]1 ZINC000121089469 183345827 /nfs/dbraw/zinc/34/58/27/183345827.db2.gz KOQNZWARTLBPQU-GFCCVEGCSA-N 1 2 236.319 0.316 20 0 BCADLO CCCNC(=O)C[N@H+](CC(=O)OC)[C@H](C)CC ZINC000337252254 169219775 /nfs/dbraw/zinc/21/97/75/169219775.db2.gz RKTBFBPPMOZNFY-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)C[N@@H+](CC(=O)OC)[C@H](C)CC ZINC000337252254 169219776 /nfs/dbraw/zinc/21/97/76/169219776.db2.gz RKTBFBPPMOZNFY-SNVBAGLBSA-N 1 2 244.335 0.786 20 0 BCADLO CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376183342 169244962 /nfs/dbraw/zinc/24/49/62/169244962.db2.gz XXTHNPSTGXCKTA-SECBINFHSA-N 1 2 207.277 0.972 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](CC)CC(=O)NCC ZINC000119240546 169245231 /nfs/dbraw/zinc/24/52/31/169245231.db2.gz VQLYFDXUAJAMKR-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)NCC ZINC000119240546 169245232 /nfs/dbraw/zinc/24/52/32/169245232.db2.gz VQLYFDXUAJAMKR-JTQLQIEISA-N 1 2 243.351 0.359 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627005 169246777 /nfs/dbraw/zinc/24/67/77/169246777.db2.gz PQKMJHSLXUVKCX-ONGXEEELSA-N 1 2 232.299 0.307 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627005 169246778 /nfs/dbraw/zinc/24/67/78/169246778.db2.gz PQKMJHSLXUVKCX-ONGXEEELSA-N 1 2 232.299 0.307 20 0 BCADLO CCCOCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000147782015 169306986 /nfs/dbraw/zinc/30/69/86/169306986.db2.gz PFVWVYKCDNAFEA-SNVBAGLBSA-N 1 2 225.292 0.814 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CCOCC[C@H]1C ZINC000375002463 169329346 /nfs/dbraw/zinc/32/93/46/169329346.db2.gz GOCZAAHFIVOFMC-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CCOCC[C@H]1C ZINC000375002463 169329348 /nfs/dbraw/zinc/32/93/48/169329348.db2.gz GOCZAAHFIVOFMC-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375319134 169329952 /nfs/dbraw/zinc/32/99/52/169329952.db2.gz LQIJATAMUMSNGM-SNVBAGLBSA-N 1 2 247.360 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375319134 169329953 /nfs/dbraw/zinc/32/99/53/169329953.db2.gz LQIJATAMUMSNGM-SNVBAGLBSA-N 1 2 247.360 0.268 20 0 BCADLO CCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000081571554 169332845 /nfs/dbraw/zinc/33/28/45/169332845.db2.gz UCPVLISYZCVMEM-UHFFFAOYSA-N 1 2 217.294 0.250 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336463800 171096379 /nfs/dbraw/zinc/09/63/79/171096379.db2.gz CONAZVSGPUFHAT-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336463800 171096381 /nfs/dbraw/zinc/09/63/81/171096381.db2.gz CONAZVSGPUFHAT-ZJUUUORDSA-N 1 2 212.293 0.376 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000184580189 134363566 /nfs/dbraw/zinc/36/35/66/134363566.db2.gz ISENYPWOSKISPD-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000184580189 134363567 /nfs/dbraw/zinc/36/35/67/134363567.db2.gz ISENYPWOSKISPD-VIFPVBQESA-N 1 2 224.308 0.978 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccon1 ZINC000185426610 134379997 /nfs/dbraw/zinc/37/99/97/134379997.db2.gz DCTPJRPROZUVCQ-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccon1 ZINC000185426610 134379998 /nfs/dbraw/zinc/37/99/98/134379998.db2.gz DCTPJRPROZUVCQ-XLKFXECMSA-N 1 2 216.306 0.873 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOCC1CC1 ZINC000185505309 134381170 /nfs/dbraw/zinc/38/11/70/134381170.db2.gz XPQKZOLCSHJPKO-GHMZBOCLSA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOCC1CC1 ZINC000185505309 134381171 /nfs/dbraw/zinc/38/11/71/134381171.db2.gz XPQKZOLCSHJPKO-GHMZBOCLSA-N 1 2 243.303 0.021 20 0 BCADLO O=C(C[NH+]1CCC(O)CC1)NCC(F)(F)F ZINC000047865829 383838354 /nfs/dbraw/zinc/83/83/54/383838354.db2.gz LIVSBANAZZPNSF-UHFFFAOYSA-N 1 2 240.225 0.122 20 0 BCADLO COC(=O)C[N@H+](C)CCc1ccncc1 ZINC000048299364 383846195 /nfs/dbraw/zinc/84/61/95/383846195.db2.gz CLUZJIINTGEZLX-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1ccncc1 ZINC000048299364 383846198 /nfs/dbraw/zinc/84/61/98/383846198.db2.gz CLUZJIINTGEZLX-UHFFFAOYSA-N 1 2 208.261 0.729 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000066564979 383869492 /nfs/dbraw/zinc/86/94/92/383869492.db2.gz KOLVVMDEIAQBFM-VIFPVBQESA-N 1 2 236.319 0.519 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000066564979 383869499 /nfs/dbraw/zinc/86/94/99/383869499.db2.gz KOLVVMDEIAQBFM-VIFPVBQESA-N 1 2 236.319 0.519 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC000492808159 533017835 /nfs/dbraw/zinc/01/78/35/533017835.db2.gz CJVCLZJOKOJPNW-WTSVBCDHSA-N 1 2 236.275 0.016 20 0 BCADLO COC[C@H](CNc1cc(C)[nH+]cn1)OC ZINC000227702049 134384819 /nfs/dbraw/zinc/38/48/19/134384819.db2.gz XWMZOIKJMVNIPD-VIFPVBQESA-N 1 2 211.265 0.858 20 0 BCADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)NC(C)(C)C ZINC000067694192 383935092 /nfs/dbraw/zinc/93/50/92/383935092.db2.gz VNKBOIRWFKCFHG-QMMMGPOBSA-N 1 2 224.308 0.803 20 0 BCADLO CSC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000066755869 383886385 /nfs/dbraw/zinc/88/63/85/383886385.db2.gz PELJMLAZDNUHRZ-SECBINFHSA-N 1 2 227.333 0.998 20 0 BCADLO C[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000531113087 383897452 /nfs/dbraw/zinc/89/74/52/383897452.db2.gz SAWOBPLQEKTHQZ-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000531113087 383897459 /nfs/dbraw/zinc/89/74/59/383897459.db2.gz SAWOBPLQEKTHQZ-QWRGUYRKSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@@H](CC(=O)NCCn1cccn1)n1cc[nH+]c1 ZINC000568015100 383901460 /nfs/dbraw/zinc/90/14/60/383901460.db2.gz YSFKJYBVNVXURR-NSHDSACASA-N 1 2 247.302 0.847 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cncc(O)c1 ZINC000113362757 383979059 /nfs/dbraw/zinc/97/90/59/383979059.db2.gz TXGMYOGVSYBPIF-UHFFFAOYSA-N 1 2 246.270 0.793 20 0 BCADLO CC(C)[C@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000292420860 383982611 /nfs/dbraw/zinc/98/26/11/383982611.db2.gz UCSIUVNSIKUZDI-SNVBAGLBSA-N 1 2 240.307 0.236 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)cn1 ZINC000558404278 383989751 /nfs/dbraw/zinc/98/97/51/383989751.db2.gz RBPHAFZVYKTPIR-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000558404278 383989761 /nfs/dbraw/zinc/98/97/61/383989761.db2.gz RBPHAFZVYKTPIR-UHFFFAOYSA-N 1 2 227.695 0.913 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CCCCO1 ZINC000334300468 383966814 /nfs/dbraw/zinc/96/68/14/383966814.db2.gz UQEPYDRUCXQHJO-UHFFFAOYSA-N 1 2 223.276 0.907 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](O)C1)OCc1ccccc1 ZINC000114562894 384044895 /nfs/dbraw/zinc/04/48/95/384044895.db2.gz HJOBUOBZTDNBGJ-GFCCVEGCSA-N 1 2 235.283 0.796 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](O)C1)OCc1ccccc1 ZINC000114562894 384044898 /nfs/dbraw/zinc/04/48/98/384044898.db2.gz HJOBUOBZTDNBGJ-GFCCVEGCSA-N 1 2 235.283 0.796 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000075626055 384049529 /nfs/dbraw/zinc/04/95/29/384049529.db2.gz XJRCTHOADBAPAH-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000075626055 384049540 /nfs/dbraw/zinc/04/95/40/384049540.db2.gz XJRCTHOADBAPAH-UHFFFAOYSA-N 1 2 213.668 0.652 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000292453723 384034786 /nfs/dbraw/zinc/03/47/86/384034786.db2.gz GGPHGTXECBVYSI-BDAKNGLRSA-N 1 2 225.292 0.882 20 0 BCADLO CO[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000292453723 384034797 /nfs/dbraw/zinc/03/47/97/384034797.db2.gz GGPHGTXECBVYSI-BDAKNGLRSA-N 1 2 225.292 0.882 20 0 BCADLO CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000070163090 384082290 /nfs/dbraw/zinc/08/22/90/384082290.db2.gz FNPNCDONPJYTNQ-UHFFFAOYSA-N 1 2 216.244 0.969 20 0 BCADLO COC(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050050711 384102518 /nfs/dbraw/zinc/10/25/18/384102518.db2.gz XBEDWTQIPNHKIA-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COC(=O)CCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050050711 384102526 /nfs/dbraw/zinc/10/25/26/384102526.db2.gz XBEDWTQIPNHKIA-SECBINFHSA-N 1 2 229.276 0.577 20 0 BCADLO COC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000050117116 384107289 /nfs/dbraw/zinc/10/72/89/384107289.db2.gz SOAFMDYBZMWVIH-SECBINFHSA-N 1 2 216.306 0.582 20 0 BCADLO COC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000050117116 384107292 /nfs/dbraw/zinc/10/72/92/384107292.db2.gz SOAFMDYBZMWVIH-SECBINFHSA-N 1 2 216.306 0.582 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000050117043 384109301 /nfs/dbraw/zinc/10/93/01/384109301.db2.gz LQDYLANNZOZGQA-JTQLQIEISA-N 1 2 214.265 0.422 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000050117043 384109302 /nfs/dbraw/zinc/10/93/02/384109302.db2.gz LQDYLANNZOZGQA-JTQLQIEISA-N 1 2 214.265 0.422 20 0 BCADLO O=S(=O)(CCCF)NCCCn1cc[nH+]c1 ZINC000091212588 384109468 /nfs/dbraw/zinc/10/94/68/384109468.db2.gz YMDXFPKXPPFQLC-UHFFFAOYSA-N 1 2 249.311 0.552 20 0 BCADLO Cc1n[nH]cc1C(=O)NCc1[nH+]ccn1C ZINC000070650130 384127191 /nfs/dbraw/zinc/12/71/91/384127191.db2.gz ULGBHOIDCSOJTQ-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO O=C(CC[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000070651491 384129976 /nfs/dbraw/zinc/12/99/76/384129976.db2.gz NEZHOQKHNRUCCG-SECBINFHSA-N 1 2 223.276 0.985 20 0 BCADLO Cc1cnc(C[NH2+][C@@H](C)CS(C)(=O)=O)s1 ZINC000132215158 384147685 /nfs/dbraw/zinc/14/76/85/384147685.db2.gz FQRLYYUWVHFTAT-ZETCQYMHSA-N 1 2 248.373 0.974 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2cnc[nH]2)CC1(C)C ZINC000560454593 384148426 /nfs/dbraw/zinc/14/84/26/384148426.db2.gz MWBHZWQCEAUMAX-UHFFFAOYSA-N 1 2 222.292 0.576 20 0 BCADLO Cc1[nH]ncc1C[NH2+]CCSCCCO ZINC000222940886 384148538 /nfs/dbraw/zinc/14/85/38/384148538.db2.gz ZZTOZIAZXQTNIQ-UHFFFAOYSA-N 1 2 229.349 0.923 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1csnn1 ZINC000293964568 384149770 /nfs/dbraw/zinc/14/97/70/384149770.db2.gz UFPYAZWPKIEUCK-QMMMGPOBSA-N 1 2 201.295 0.741 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1csnn1 ZINC000293964568 384149779 /nfs/dbraw/zinc/14/97/79/384149779.db2.gz UFPYAZWPKIEUCK-QMMMGPOBSA-N 1 2 201.295 0.741 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC000093093006 384162126 /nfs/dbraw/zinc/16/21/26/384162126.db2.gz ZLQCBMFNFLSILZ-AOOOYVTPSA-N 1 2 234.255 0.365 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC000093093006 384162131 /nfs/dbraw/zinc/16/21/31/384162131.db2.gz ZLQCBMFNFLSILZ-AOOOYVTPSA-N 1 2 234.255 0.365 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000375943643 384177380 /nfs/dbraw/zinc/17/73/80/384177380.db2.gz WFWPCKDWUPJQLX-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000375943643 384177387 /nfs/dbraw/zinc/17/73/87/384177387.db2.gz WFWPCKDWUPJQLX-QLJPJBMISA-N 1 2 247.360 0.783 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)o1 ZINC000092735063 384192326 /nfs/dbraw/zinc/19/23/26/384192326.db2.gz ULPCMQWIVNIWOT-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)o1 ZINC000092735063 384192333 /nfs/dbraw/zinc/19/23/33/384192333.db2.gz ULPCMQWIVNIWOT-SNVBAGLBSA-N 1 2 224.260 0.274 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1C ZINC000093049615 384207669 /nfs/dbraw/zinc/20/76/69/384207669.db2.gz ZBGXHZJANJCQBW-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1C ZINC000093049615 384207674 /nfs/dbraw/zinc/20/76/74/384207674.db2.gz ZBGXHZJANJCQBW-NSHDSACASA-N 1 2 236.319 0.439 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(C)C ZINC000247968445 384230605 /nfs/dbraw/zinc/23/06/05/384230605.db2.gz GXUWFQKPZFKGEN-VIFPVBQESA-N 1 2 243.351 0.310 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(C)C ZINC000247968445 384230606 /nfs/dbraw/zinc/23/06/06/384230606.db2.gz GXUWFQKPZFKGEN-VIFPVBQESA-N 1 2 243.351 0.310 20 0 BCADLO CN(CCO)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082262870 384213923 /nfs/dbraw/zinc/21/39/23/384213923.db2.gz DUVGONMBYWDZJO-UHFFFAOYSA-N 1 2 245.282 0.937 20 0 BCADLO CC[C@@H](C(=O)OC)[N@H+](C)CCn1cccn1 ZINC000173376183 384219143 /nfs/dbraw/zinc/21/91/43/384219143.db2.gz ODMLSCRPTXKYJP-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCn1cccn1 ZINC000173376183 384219147 /nfs/dbraw/zinc/21/91/47/384219147.db2.gz ODMLSCRPTXKYJP-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cncc(O)c2)CC1 ZINC000082304342 384223592 /nfs/dbraw/zinc/22/35/92/384223592.db2.gz GYUCQNSQRIXKAN-UHFFFAOYSA-N 1 2 235.287 0.565 20 0 BCADLO O=S1CC[NH+](CCOCC2CC2)CC1 ZINC000119027276 384228472 /nfs/dbraw/zinc/22/84/72/384228472.db2.gz VSQLFQUVWJDTPX-UHFFFAOYSA-N 1 2 217.334 0.477 20 0 BCADLO Cc1cnccc1NC(=O)Cn1cc[nH+]c1 ZINC000558645086 384229231 /nfs/dbraw/zinc/22/92/31/384229231.db2.gz VPCRLLFKHHNSOP-UHFFFAOYSA-N 1 2 216.244 0.647 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093528648 384247661 /nfs/dbraw/zinc/24/76/61/384247661.db2.gz UIZWZGHMWAIEPK-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093528648 384247668 /nfs/dbraw/zinc/24/76/68/384247668.db2.gz UIZWZGHMWAIEPK-JTQLQIEISA-N 1 2 211.265 0.257 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000093528267 384248920 /nfs/dbraw/zinc/24/89/20/384248920.db2.gz PTJRMVJCTYLDHX-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000093528267 384248925 /nfs/dbraw/zinc/24/89/25/384248925.db2.gz PTJRMVJCTYLDHX-GFCCVEGCSA-N 1 2 239.319 0.576 20 0 BCADLO CN1C[C@@H]([NH2+]Cc2ccn[nH]2)CCC1=O ZINC000082756675 384263780 /nfs/dbraw/zinc/26/37/80/384263780.db2.gz VEYUTKPJRUYQBR-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CN1C[C@H]([NH2+]Cc2ccn[nH]2)CCC1=O ZINC000082756674 384265215 /nfs/dbraw/zinc/26/52/15/384265215.db2.gz VEYUTKPJRUYQBR-SECBINFHSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000043310744 384271878 /nfs/dbraw/zinc/27/18/78/384271878.db2.gz KVDBIYINSWXPSM-SECBINFHSA-N 1 2 222.292 0.981 20 0 BCADLO Cc1nc(N2CCCO[C@H](C)C2)nc(N)[nH+]1 ZINC000304464037 384322156 /nfs/dbraw/zinc/32/21/56/384322156.db2.gz MRFQVSOFJHEUAP-SSDOTTSWSA-N 1 2 223.280 0.377 20 0 BCADLO Cc1nc(N)nc(N2CCCO[C@H](C)C2)[nH+]1 ZINC000304464037 384322161 /nfs/dbraw/zinc/32/21/61/384322161.db2.gz MRFQVSOFJHEUAP-SSDOTTSWSA-N 1 2 223.280 0.377 20 0 BCADLO COCCOCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698020 384305487 /nfs/dbraw/zinc/30/54/87/384305487.db2.gz KHRIWLRILOICNI-SECBINFHSA-N 1 2 241.291 0.640 20 0 BCADLO O=C1CN(Cc2c[nH+]c[nH]2)CN1CC(F)(F)F ZINC000558818667 384310568 /nfs/dbraw/zinc/31/05/68/384310568.db2.gz JNYJYQKJLXDPIT-UHFFFAOYSA-N 1 2 248.208 0.574 20 0 BCADLO O=C1CN(Cc2c[nH]c[nH+]2)CN1CC(F)(F)F ZINC000558818667 384310575 /nfs/dbraw/zinc/31/05/75/384310575.db2.gz JNYJYQKJLXDPIT-UHFFFAOYSA-N 1 2 248.208 0.574 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H](O)C2(C)C)nc(N)[nH+]1 ZINC000304444151 384311262 /nfs/dbraw/zinc/31/12/62/384311262.db2.gz IMPUHMXPOHKPQE-RQJHMYQMSA-N 1 2 223.280 0.334 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@H](O)C2(C)C)[nH+]1 ZINC000304444151 384311270 /nfs/dbraw/zinc/31/12/70/384311270.db2.gz IMPUHMXPOHKPQE-RQJHMYQMSA-N 1 2 223.280 0.334 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccccn1 ZINC000074915162 384312203 /nfs/dbraw/zinc/31/22/03/384312203.db2.gz CZTIRMPCSPMRLQ-UHFFFAOYSA-N 1 2 249.314 0.486 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cc[nH]n1 ZINC000119906662 384315935 /nfs/dbraw/zinc/31/59/35/384315935.db2.gz OUCYRZVFOCNWJC-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO Cc1csc(C[NH2+][C@@H](C)CS(C)(=O)=O)n1 ZINC000079055312 384316077 /nfs/dbraw/zinc/31/60/77/384316077.db2.gz NEEKWRBPYTXJHD-QMMMGPOBSA-N 1 2 248.373 0.974 20 0 BCADLO CC(C)n1cc(C[N@@H+]2CCn3nncc3C2)nn1 ZINC000569590547 384288917 /nfs/dbraw/zinc/28/89/17/384288917.db2.gz YHRUSFMBSMSXHF-UHFFFAOYSA-N 1 2 247.306 0.466 20 0 BCADLO CC(C)n1cc(C[N@H+]2CCn3nncc3C2)nn1 ZINC000569590547 384288919 /nfs/dbraw/zinc/28/89/19/384288919.db2.gz YHRUSFMBSMSXHF-UHFFFAOYSA-N 1 2 247.306 0.466 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC(=O)OC(C)C ZINC000157827965 384337088 /nfs/dbraw/zinc/33/70/88/384337088.db2.gz AGVLAMUQUNPZAE-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC(=O)OC(C)C ZINC000157827965 384337095 /nfs/dbraw/zinc/33/70/95/384337095.db2.gz AGVLAMUQUNPZAE-UHFFFAOYSA-N 1 2 231.292 0.823 20 0 BCADLO CCn1cnnc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000560754255 384338946 /nfs/dbraw/zinc/33/89/46/384338946.db2.gz RPXOBBORCDRUEO-UHFFFAOYSA-N 1 2 248.290 0.937 20 0 BCADLO CCn1cnnc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000560754255 384338957 /nfs/dbraw/zinc/33/89/57/384338957.db2.gz RPXOBBORCDRUEO-UHFFFAOYSA-N 1 2 248.290 0.937 20 0 BCADLO Cn1nccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120360116 384346649 /nfs/dbraw/zinc/34/66/49/384346649.db2.gz XDCWLMJNUHQHKR-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO Cn1nccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120360116 384346652 /nfs/dbraw/zinc/34/66/52/384346652.db2.gz XDCWLMJNUHQHKR-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CO[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[C@@H]1C ZINC000302574941 384347144 /nfs/dbraw/zinc/34/71/44/384347144.db2.gz AVRJVUPNAKJFNH-IONNQARKSA-N 1 2 237.307 0.623 20 0 BCADLO CO[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CC[C@@H]1C ZINC000302574941 384347148 /nfs/dbraw/zinc/34/71/48/384347148.db2.gz AVRJVUPNAKJFNH-IONNQARKSA-N 1 2 237.307 0.623 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@@H]1C ZINC000120434068 384353000 /nfs/dbraw/zinc/35/30/00/384353000.db2.gz OQYZBJSBJATZAQ-VIFPVBQESA-N 1 2 248.286 0.742 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000083995548 384353593 /nfs/dbraw/zinc/35/35/93/384353593.db2.gz ODRCUDIIOXDSRT-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](O)C1 ZINC000083995548 384353599 /nfs/dbraw/zinc/35/35/99/384353599.db2.gz ODRCUDIIOXDSRT-SECBINFHSA-N 1 2 210.281 0.426 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300364245 384363735 /nfs/dbraw/zinc/36/37/35/384363735.db2.gz GHEMZGYJWWJPEK-HGNGGELXSA-N 1 2 213.277 0.705 20 0 BCADLO Cc1nc(NC[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000304531481 384370729 /nfs/dbraw/zinc/37/07/29/384370729.db2.gz UHEBAVDYQRJJST-QMMMGPOBSA-N 1 2 223.280 0.601 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CCCOC2)[nH+]1 ZINC000304531481 384370735 /nfs/dbraw/zinc/37/07/35/384370735.db2.gz UHEBAVDYQRJJST-QMMMGPOBSA-N 1 2 223.280 0.601 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000179654599 384325242 /nfs/dbraw/zinc/32/52/42/384325242.db2.gz QHSGQJLXQGHYTD-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC000179654599 384325252 /nfs/dbraw/zinc/32/52/52/384325252.db2.gz QHSGQJLXQGHYTD-NSHDSACASA-N 1 2 246.318 0.849 20 0 BCADLO Cc1nc(N[C@@H]2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC000304478798 384325617 /nfs/dbraw/zinc/32/56/17/384325617.db2.gz OFOQKYDTWMPBMD-POYBYMJQSA-N 1 2 223.280 0.599 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2CCOC[C@@H]2C)[nH+]1 ZINC000304478798 384325622 /nfs/dbraw/zinc/32/56/22/384325622.db2.gz OFOQKYDTWMPBMD-POYBYMJQSA-N 1 2 223.280 0.599 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cccnc1 ZINC000533448745 384328131 /nfs/dbraw/zinc/32/81/31/384328131.db2.gz XXRKTYWFHSSIIA-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cccnc1 ZINC000533448745 384328137 /nfs/dbraw/zinc/32/81/37/384328137.db2.gz XXRKTYWFHSSIIA-GFCCVEGCSA-N 1 2 233.315 0.835 20 0 BCADLO C[NH+](C)[C@H](CNC(=O)c1ncn[nH]1)c1ccco1 ZINC000095040639 384328154 /nfs/dbraw/zinc/32/81/54/384328154.db2.gz BIPBMTKWZYZRNU-MRVPVSSYSA-N 1 2 249.274 0.430 20 0 BCADLO C[NH+](C)[C@H](CNC(=O)c1nc[nH]n1)c1ccco1 ZINC000095040639 384328159 /nfs/dbraw/zinc/32/81/59/384328159.db2.gz BIPBMTKWZYZRNU-MRVPVSSYSA-N 1 2 249.274 0.430 20 0 BCADLO Cc1nc(NC[C@@H]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000304483744 384329714 /nfs/dbraw/zinc/32/97/14/384329714.db2.gz ORSMKWJIIGLXOJ-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(NC[C@@H]2CC[C@H](O)C2)[nH+]1 ZINC000304483744 384329717 /nfs/dbraw/zinc/32/97/17/384329717.db2.gz ORSMKWJIIGLXOJ-SFYZADRCSA-N 1 2 223.280 0.335 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](O)CC12CCC2 ZINC000564578695 384397652 /nfs/dbraw/zinc/39/76/52/384397652.db2.gz ZDKLYHBAHHPYQH-NSHDSACASA-N 1 2 249.314 0.789 20 0 BCADLO COC[C@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000121158302 384401491 /nfs/dbraw/zinc/40/14/91/384401491.db2.gz UEUKLJGLWANXIK-NSHDSACASA-N 1 2 241.291 0.088 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CC[C@H](C)O ZINC000248895906 384405204 /nfs/dbraw/zinc/40/52/04/384405204.db2.gz UDXFVISBRHPGSQ-DTWKUNHWSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CC[C@H](C)O ZINC000248895906 384405209 /nfs/dbraw/zinc/40/52/09/384405209.db2.gz UDXFVISBRHPGSQ-DTWKUNHWSA-N 1 2 239.323 0.772 20 0 BCADLO CO[C@H](C)c1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000175268406 384417383 /nfs/dbraw/zinc/41/73/83/384417383.db2.gz QLWMYHSNYBQGKD-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO CO[C@H](C)c1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000175268406 384417387 /nfs/dbraw/zinc/41/73/87/384417387.db2.gz QLWMYHSNYBQGKD-RKDXNWHRSA-N 1 2 243.307 0.980 20 0 BCADLO Cc1[nH]c(CN2CC[C@H](NC(N)=O)C2)[nH+]c1C ZINC000628191202 384450953 /nfs/dbraw/zinc/45/09/53/384450953.db2.gz CWKFLRBNAFOXNN-VIFPVBQESA-N 1 2 237.307 0.269 20 0 BCADLO C[C@H](CO)Nc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000157741497 384454466 /nfs/dbraw/zinc/45/44/66/384454466.db2.gz JQHGGBDLRNPZDL-OCAPTIKFSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@H](CO)Nc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000157741497 384454472 /nfs/dbraw/zinc/45/44/72/384454472.db2.gz JQHGGBDLRNPZDL-OCAPTIKFSA-N 1 2 226.280 0.062 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CC(F)F ZINC000309200176 384454954 /nfs/dbraw/zinc/45/49/54/384454954.db2.gz REELJAXIERDVBJ-QMMMGPOBSA-N 1 2 219.235 0.824 20 0 BCADLO Cn1cccc1C[N@@H+]1CCn2cnnc2C1 ZINC000121893773 384443770 /nfs/dbraw/zinc/44/37/70/384443770.db2.gz MVJONWGFYIEMKV-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO Cn1cccc1C[N@H+]1CCn2cnnc2C1 ZINC000121893773 384443778 /nfs/dbraw/zinc/44/37/78/384443778.db2.gz MVJONWGFYIEMKV-UHFFFAOYSA-N 1 2 217.276 0.632 20 0 BCADLO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CC(N)=O ZINC000047629175 384462505 /nfs/dbraw/zinc/46/25/05/384462505.db2.gz WPWKVQBWFCWKCA-SNVBAGLBSA-N 1 2 249.314 0.108 20 0 BCADLO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CC(N)=O ZINC000047629175 384462512 /nfs/dbraw/zinc/46/25/12/384462512.db2.gz WPWKVQBWFCWKCA-SNVBAGLBSA-N 1 2 249.314 0.108 20 0 BCADLO COC(=O)C[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000148811523 384470410 /nfs/dbraw/zinc/47/04/10/384470410.db2.gz POOVQYSAPGHJAT-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO COC(=O)C[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000148811523 384470415 /nfs/dbraw/zinc/47/04/15/384470415.db2.gz POOVQYSAPGHJAT-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO Cc1cc(CC(=O)NCCCn2cc[nH+]c2)on1 ZINC000561068909 384475442 /nfs/dbraw/zinc/47/54/42/384475442.db2.gz GQCWWARAMXNAIA-UHFFFAOYSA-N 1 2 248.286 0.929 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249069518 384477183 /nfs/dbraw/zinc/47/71/83/384477183.db2.gz KSQGMNYMUPCIDO-IVZWLZJFSA-N 1 2 243.303 0.679 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249069518 384477187 /nfs/dbraw/zinc/47/71/87/384477187.db2.gz KSQGMNYMUPCIDO-IVZWLZJFSA-N 1 2 243.303 0.679 20 0 BCADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000556810664 384496869 /nfs/dbraw/zinc/49/68/69/384496869.db2.gz NVYPHLCGVPKXEJ-JGVFFNPUSA-N 1 2 238.295 0.259 20 0 BCADLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000556810664 384496877 /nfs/dbraw/zinc/49/68/77/384496877.db2.gz NVYPHLCGVPKXEJ-JGVFFNPUSA-N 1 2 238.295 0.259 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCOC(C)C ZINC000249376731 384499574 /nfs/dbraw/zinc/49/95/74/384499574.db2.gz OIXHIZOPFYTRJK-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCOC(C)C ZINC000249376731 384499577 /nfs/dbraw/zinc/49/95/77/384499577.db2.gz OIXHIZOPFYTRJK-QWRGUYRKSA-N 1 2 245.319 0.410 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000249501125 384503796 /nfs/dbraw/zinc/50/37/96/384503796.db2.gz XGOXMDRYXGWEEV-JGVFFNPUSA-N 1 2 241.295 0.012 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000249501125 384503800 /nfs/dbraw/zinc/50/38/00/384503800.db2.gz XGOXMDRYXGWEEV-JGVFFNPUSA-N 1 2 241.295 0.012 20 0 BCADLO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000449546881 384494476 /nfs/dbraw/zinc/49/44/76/384494476.db2.gz FEESKEQFPZRARX-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000449546881 384494486 /nfs/dbraw/zinc/49/44/86/384494486.db2.gz FEESKEQFPZRARX-LLVKDONJSA-N 1 2 249.314 0.930 20 0 BCADLO C[C@H]([NH2+]Cc1ccn(C(F)F)n1)C(=O)N(C)C ZINC000359812944 384518256 /nfs/dbraw/zinc/51/82/56/384518256.db2.gz XOFOQSXTMYOABR-ZETCQYMHSA-N 1 2 246.261 0.845 20 0 BCADLO Cc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)n1C ZINC000170764728 384520554 /nfs/dbraw/zinc/52/05/54/384520554.db2.gz RVEVYAJWDYTSCN-VIFPVBQESA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@H+]2CCCO[C@@H](C)C2)n1C ZINC000170764728 384520558 /nfs/dbraw/zinc/52/05/58/384520558.db2.gz RVEVYAJWDYTSCN-VIFPVBQESA-N 1 2 224.308 0.734 20 0 BCADLO CCCCn1nnnc1C[N@H+](C)C[C@@H](C)OC ZINC000556848798 384523522 /nfs/dbraw/zinc/52/35/22/384523522.db2.gz WYUCLDYPNXXOEP-SNVBAGLBSA-N 1 2 241.339 0.940 20 0 BCADLO CCCCn1nnnc1C[N@@H+](C)C[C@@H](C)OC ZINC000556848798 384523526 /nfs/dbraw/zinc/52/35/26/384523526.db2.gz WYUCLDYPNXXOEP-SNVBAGLBSA-N 1 2 241.339 0.940 20 0 BCADLO CCOCC[N@H+](C)Cc1nc(CCOC)no1 ZINC000151000428 384529881 /nfs/dbraw/zinc/52/98/81/384529881.db2.gz WQIKCHNQLOKBGW-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CCOCC[N@@H+](C)Cc1nc(CCOC)no1 ZINC000151000428 384529887 /nfs/dbraw/zinc/52/98/87/384529887.db2.gz WQIKCHNQLOKBGW-UHFFFAOYSA-N 1 2 243.307 0.727 20 0 BCADLO CC(C)=CC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172189035 384545247 /nfs/dbraw/zinc/54/52/47/384545247.db2.gz GTPJOZVVSHBLBB-LBPRGKRZSA-N 1 2 226.320 0.790 20 0 BCADLO CC(C)=CC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172189035 384545255 /nfs/dbraw/zinc/54/52/55/384545255.db2.gz GTPJOZVVSHBLBB-LBPRGKRZSA-N 1 2 226.320 0.790 20 0 BCADLO CCc1cnc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)s1 ZINC000449571653 384563324 /nfs/dbraw/zinc/56/33/24/384563324.db2.gz KTUJFBOKJDTZHY-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO CCc1cnc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)s1 ZINC000449571653 384563333 /nfs/dbraw/zinc/56/33/33/384563333.db2.gz KTUJFBOKJDTZHY-NXEZZACHSA-N 1 2 242.344 0.897 20 0 BCADLO Cc1nc(N[C@H](C)C2CCOCC2)nc(N)[nH+]1 ZINC000306083691 384568461 /nfs/dbraw/zinc/56/84/61/384568461.db2.gz JDSRNZTVFSIUMO-SSDOTTSWSA-N 1 2 237.307 0.989 20 0 BCADLO Cc1nc(N)nc(N[C@H](C)C2CCOCC2)[nH+]1 ZINC000306083691 384568469 /nfs/dbraw/zinc/56/84/69/384568469.db2.gz JDSRNZTVFSIUMO-SSDOTTSWSA-N 1 2 237.307 0.989 20 0 BCADLO COCCOCCCNc1nc(C)[nH+]c(N)n1 ZINC000306112554 384571309 /nfs/dbraw/zinc/57/13/09/384571309.db2.gz UXOQBCQVSPNXFI-UHFFFAOYSA-N 1 2 241.295 0.227 20 0 BCADLO COCCOCCCNc1nc(N)nc(C)[nH+]1 ZINC000306112554 384571313 /nfs/dbraw/zinc/57/13/13/384571313.db2.gz UXOQBCQVSPNXFI-UHFFFAOYSA-N 1 2 241.295 0.227 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000171381112 384578643 /nfs/dbraw/zinc/57/86/43/384578643.db2.gz CGUZFBNCFWJDMQ-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000171381112 384578658 /nfs/dbraw/zinc/57/86/58/384578658.db2.gz CGUZFBNCFWJDMQ-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000618399919 384584983 /nfs/dbraw/zinc/58/49/83/384584983.db2.gz QNPJHYYNCMFERA-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H](C)O1 ZINC000111277192 384602756 /nfs/dbraw/zinc/60/27/56/384602756.db2.gz LPMPYYQJEWSEDH-XHNCKOQMSA-N 1 2 200.282 0.360 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H](C)O1 ZINC000111277192 384602763 /nfs/dbraw/zinc/60/27/63/384602763.db2.gz LPMPYYQJEWSEDH-XHNCKOQMSA-N 1 2 200.282 0.360 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000172574022 384604052 /nfs/dbraw/zinc/60/40/52/384604052.db2.gz FSVCYKKDZCRMSK-NSHDSACASA-N 1 2 237.303 0.954 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000172574022 384604061 /nfs/dbraw/zinc/60/40/61/384604061.db2.gz FSVCYKKDZCRMSK-NSHDSACASA-N 1 2 237.303 0.954 20 0 BCADLO Cc1nc(N2CCO[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000338776506 384619142 /nfs/dbraw/zinc/61/91/42/384619142.db2.gz LDZKMKSHUDKLHL-MRVPVSSYSA-N 1 2 237.307 0.471 20 0 BCADLO Cc1nc(N(C)C)nc(N2CCO[C@H](C)C2)[nH+]1 ZINC000338776506 384619149 /nfs/dbraw/zinc/61/91/49/384619149.db2.gz LDZKMKSHUDKLHL-MRVPVSSYSA-N 1 2 237.307 0.471 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCCCCO ZINC000360105882 384623103 /nfs/dbraw/zinc/62/31/03/384623103.db2.gz UYKKJSMGTHGRTI-UHFFFAOYSA-N 1 2 240.307 0.382 20 0 BCADLO COC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000520913901 384631953 /nfs/dbraw/zinc/63/19/53/384631953.db2.gz XGFOJZIBDTWGIL-UHFFFAOYSA-N 1 2 225.292 0.767 20 0 BCADLO C[C@H]1CC[C@@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000517956548 384596170 /nfs/dbraw/zinc/59/61/70/384596170.db2.gz CZKNZNZPJMGYHJ-ONGXEEELSA-N 1 2 222.292 0.661 20 0 BCADLO C[C@H]1CC[C@@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000517956548 384596173 /nfs/dbraw/zinc/59/61/73/384596173.db2.gz CZKNZNZPJMGYHJ-ONGXEEELSA-N 1 2 222.292 0.661 20 0 BCADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000103149197 384596412 /nfs/dbraw/zinc/59/64/12/384596412.db2.gz VFGCSKGOOZHKIO-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000103149197 384596417 /nfs/dbraw/zinc/59/64/17/384596417.db2.gz VFGCSKGOOZHKIO-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO Cc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc[nH+]1 ZINC000408037023 384597244 /nfs/dbraw/zinc/59/72/44/384597244.db2.gz XSYILWQZXVDIHA-ZJUUUORDSA-N 1 2 247.302 0.387 20 0 BCADLO Cc1csc(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000183833042 384600491 /nfs/dbraw/zinc/60/04/91/384600491.db2.gz PGDVQQKYJDASES-UHFFFAOYSA-N 1 2 211.290 0.559 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCc2ncccc2C1 ZINC000368326285 384664854 /nfs/dbraw/zinc/66/48/54/384664854.db2.gz CJPWLMYMFDSSMO-MRVPVSSYSA-N 1 2 248.286 0.023 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCc2ncccc2C1 ZINC000368326285 384664865 /nfs/dbraw/zinc/66/48/65/384664865.db2.gz CJPWLMYMFDSSMO-MRVPVSSYSA-N 1 2 248.286 0.023 20 0 BCADLO COC[C@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531025252 384670146 /nfs/dbraw/zinc/67/01/46/384670146.db2.gz FSBQNIAMTARFQO-SNVBAGLBSA-N 1 2 237.303 0.939 20 0 BCADLO CC[C@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCO1 ZINC000162732868 384676608 /nfs/dbraw/zinc/67/66/08/384676608.db2.gz YUDLWIOAUGMQAE-MNOVXSKESA-N 1 2 249.376 0.778 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561299691 384634149 /nfs/dbraw/zinc/63/41/49/384634149.db2.gz LOBBJBLNQQTTCK-JTQLQIEISA-N 1 2 228.336 0.461 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000172889814 384634889 /nfs/dbraw/zinc/63/48/89/384634889.db2.gz AASPOLOBFWMEOD-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000172889814 384634893 /nfs/dbraw/zinc/63/48/93/384634893.db2.gz AASPOLOBFWMEOD-LBPRGKRZSA-N 1 2 222.288 0.929 20 0 BCADLO CC[C@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCO1 ZINC000162732868 384676614 /nfs/dbraw/zinc/67/66/14/384676614.db2.gz YUDLWIOAUGMQAE-MNOVXSKESA-N 1 2 249.376 0.778 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCCO1 ZINC000124396438 384637253 /nfs/dbraw/zinc/63/72/53/384637253.db2.gz KNKRZKIKYUAZRS-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO C[C@H]1OCC[N@H+](C[C@H]2CCSC2)[C@@H]1C(N)=O ZINC000408039218 384647462 /nfs/dbraw/zinc/64/74/62/384647462.db2.gz TWDORNKDSLNGSU-BBBLOLIVSA-N 1 2 244.360 0.314 20 0 BCADLO C[C@H]1OCC[N@@H+](C[C@H]2CCSC2)[C@@H]1C(N)=O ZINC000408039218 384647469 /nfs/dbraw/zinc/64/74/69/384647469.db2.gz TWDORNKDSLNGSU-BBBLOLIVSA-N 1 2 244.360 0.314 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cocn1 ZINC000276991293 384647673 /nfs/dbraw/zinc/64/76/73/384647673.db2.gz IIWJVFFZTXGHLO-QMMMGPOBSA-N 1 2 211.265 0.631 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477190 384648835 /nfs/dbraw/zinc/64/88/35/384648835.db2.gz GJKIXSGCGXRIIU-WDEREUQCSA-N 1 2 241.287 0.660 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477190 384648839 /nfs/dbraw/zinc/64/88/39/384648839.db2.gz GJKIXSGCGXRIIU-WDEREUQCSA-N 1 2 241.287 0.660 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000041047533 384649108 /nfs/dbraw/zinc/64/91/08/384649108.db2.gz RSWIEOCHNHWESY-NXEZZACHSA-N 1 2 213.277 0.707 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000041047531 384649310 /nfs/dbraw/zinc/64/93/10/384649310.db2.gz RSWIEOCHNHWESY-VHSXEESVSA-N 1 2 213.277 0.707 20 0 BCADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(N)=O)o1 ZINC000184787100 384650535 /nfs/dbraw/zinc/65/05/35/384650535.db2.gz YSVLDXRUFZLUTK-SCZZXKLOSA-N 1 2 240.303 0.993 20 0 BCADLO COC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC000086443304 384650718 /nfs/dbraw/zinc/65/07/18/384650718.db2.gz HRJLYTJGCKVCBA-QMMMGPOBSA-N 1 2 216.306 0.582 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC000086443304 384650722 /nfs/dbraw/zinc/65/07/22/384650722.db2.gz HRJLYTJGCKVCBA-QMMMGPOBSA-N 1 2 216.306 0.582 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC000531010977 384651653 /nfs/dbraw/zinc/65/16/53/384651653.db2.gz FALOHAXKWAQKDR-QMMMGPOBSA-N 1 2 247.302 0.872 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)c1ccnn1C ZINC000082267621 384656552 /nfs/dbraw/zinc/65/65/52/384656552.db2.gz HOIUNRMGEIRIOD-UHFFFAOYSA-N 1 2 219.248 0.084 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH+]ccn2C)[nH]1 ZINC000082268165 384657321 /nfs/dbraw/zinc/65/73/21/384657321.db2.gz DWHVTCVMJIBHFI-UHFFFAOYSA-N 1 2 219.248 0.382 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000124806289 384676696 /nfs/dbraw/zinc/67/66/96/384676696.db2.gz WQCJHKAXLRULCE-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC000124806289 384676700 /nfs/dbraw/zinc/67/67/00/384676700.db2.gz WQCJHKAXLRULCE-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO C[N@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000049832231 384683093 /nfs/dbraw/zinc/68/30/93/384683093.db2.gz MIUQQVZJXPZXSS-UHFFFAOYSA-N 1 2 213.281 0.791 20 0 BCADLO C[N@@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000049832231 384683100 /nfs/dbraw/zinc/68/31/00/384683100.db2.gz MIUQQVZJXPZXSS-UHFFFAOYSA-N 1 2 213.281 0.791 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086759619 384685978 /nfs/dbraw/zinc/68/59/78/384685978.db2.gz JEJWODRQTTVLDM-APPZFPTMSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@H]1OCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086759619 384685982 /nfs/dbraw/zinc/68/59/82/384685982.db2.gz JEJWODRQTTVLDM-APPZFPTMSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086759617 384687632 /nfs/dbraw/zinc/68/76/32/384687632.db2.gz JEJWODRQTTVLDM-IONNQARKSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086759617 384687636 /nfs/dbraw/zinc/68/76/36/384687636.db2.gz JEJWODRQTTVLDM-IONNQARKSA-N 1 2 209.249 0.451 20 0 BCADLO C[C@@H](O)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000051818378 384690624 /nfs/dbraw/zinc/69/06/24/384690624.db2.gz MOUNXSAYXBHHSB-SNVBAGLBSA-N 1 2 247.298 0.716 20 0 BCADLO Cc1nc(N2CCOC[C@H]2C[C@@H](C)O)cc[nH+]1 ZINC000185293953 384701738 /nfs/dbraw/zinc/70/17/38/384701738.db2.gz LKBVVOABZYZFSY-MWLCHTKSSA-N 1 2 237.303 0.761 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1O ZINC000051990807 384707383 /nfs/dbraw/zinc/70/73/83/384707383.db2.gz PHBWIYRRZURHGI-WDEREUQCSA-N 1 2 237.303 0.693 20 0 BCADLO CNC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000428307238 384707562 /nfs/dbraw/zinc/70/75/62/384707562.db2.gz SYQFXPKZHLWKQU-MRVPVSSYSA-N 1 2 208.265 0.293 20 0 BCADLO CO[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493251954 533085074 /nfs/dbraw/zinc/08/50/74/533085074.db2.gz JPWPOBHYEGJSMH-MPJRPATESA-N 1 2 209.249 0.574 20 0 BCADLO Cc1nnc(SCCCn2cc[nH+]c2)n1N ZINC000185401317 384719672 /nfs/dbraw/zinc/71/96/72/384719672.db2.gz QTZOJYWITHBCQZ-UHFFFAOYSA-N 1 2 238.320 0.679 20 0 BCADLO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000102676854 384721485 /nfs/dbraw/zinc/72/14/85/384721485.db2.gz HUCXBFXDAKJZEA-MRVPVSSYSA-N 1 2 244.302 0.887 20 0 BCADLO C[N@H+](Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000102673796 384721958 /nfs/dbraw/zinc/72/19/58/384721958.db2.gz KHVZPSCIXZXYAW-VIFPVBQESA-N 1 2 229.301 0.899 20 0 BCADLO C[N@@H+](Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000102673796 384721970 /nfs/dbraw/zinc/72/19/70/384721970.db2.gz KHVZPSCIXZXYAW-VIFPVBQESA-N 1 2 229.301 0.899 20 0 BCADLO Cc1cnc(C[NH2+][C@H](CO)[C@H]2CCCO2)o1 ZINC000309687711 384731988 /nfs/dbraw/zinc/73/19/88/384731988.db2.gz HVDRYGSYFVDDAH-NXEZZACHSA-N 1 2 226.276 0.613 20 0 BCADLO COC[C@H]([NH2+]Cc1ccon1)[C@@H]1CCCO1 ZINC000309960779 384737445 /nfs/dbraw/zinc/73/74/45/384737445.db2.gz LARAQMKHCWZTDZ-QWRGUYRKSA-N 1 2 226.276 0.958 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCCOCC1)[C@H](C)O ZINC000309952385 384737995 /nfs/dbraw/zinc/73/79/95/384737995.db2.gz GTSJVOBRFCSNSH-IVZWLZJFSA-N 1 2 231.292 0.068 20 0 BCADLO CCOCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000309955768 384741442 /nfs/dbraw/zinc/74/14/42/384741442.db2.gz IFKGGMZZQLEGHT-LLVKDONJSA-N 1 2 233.308 0.581 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)[C@@H](C)O ZINC000309966672 384743831 /nfs/dbraw/zinc/74/38/31/384743831.db2.gz NTQVYZVUDVJHQD-SGIHWFKDSA-N 1 2 231.292 0.066 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OC2CCC2)CCO1 ZINC000497180907 384780908 /nfs/dbraw/zinc/78/09/08/384780908.db2.gz VTOZZPQPDHBJJS-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OC2CCC2)CCO1 ZINC000497180907 384780914 /nfs/dbraw/zinc/78/09/14/384780914.db2.gz VTOZZPQPDHBJJS-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO C[C@@]1(NCCCn2cc[nH+]c2)CCOC1=O ZINC000289582040 384755289 /nfs/dbraw/zinc/75/52/89/384755289.db2.gz PDKVPGLTINRBKB-LLVKDONJSA-N 1 2 223.276 0.568 20 0 BCADLO O=C1C[C@@H](Nc2cc[nH+]c3ccncc23)CN1 ZINC000362644599 384760037 /nfs/dbraw/zinc/76/00/37/384760037.db2.gz TUEBEKWHEFUSLQ-MRVPVSSYSA-N 1 2 228.255 0.352 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298756 384768345 /nfs/dbraw/zinc/76/83/45/384768345.db2.gz NVAZLKGGNYNFBI-QWRGUYRKSA-N 1 2 243.351 0.757 20 0 BCADLO CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC000292388075 384782705 /nfs/dbraw/zinc/78/27/05/384782705.db2.gz YZMIDBDTROFFOA-JTQLQIEISA-N 1 2 225.292 0.884 20 0 BCADLO CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC000292388075 384782711 /nfs/dbraw/zinc/78/27/11/384782711.db2.gz YZMIDBDTROFFOA-JTQLQIEISA-N 1 2 225.292 0.884 20 0 BCADLO CCC[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000308537454 384789959 /nfs/dbraw/zinc/78/99/59/384789959.db2.gz SXIQCJDASHKJJZ-BDAKNGLRSA-N 1 2 203.282 0.953 20 0 BCADLO COC(=O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000308547212 384797334 /nfs/dbraw/zinc/79/73/34/384797334.db2.gz WCXSYKZXQIXJGF-IUCAKERBSA-N 1 2 201.266 0.564 20 0 BCADLO COC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000308547213 384798005 /nfs/dbraw/zinc/79/80/05/384798005.db2.gz WCXSYKZXQIXJGF-RKDXNWHRSA-N 1 2 201.266 0.564 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCO[C@H]1C ZINC000518215465 384803918 /nfs/dbraw/zinc/80/39/18/384803918.db2.gz RYWCSFSXDZWFBH-VHSXEESVSA-N 1 2 237.303 0.944 20 0 BCADLO O=C(Nc1nccs1)[C@H]1COCC[NH2+]1 ZINC000083871877 384807307 /nfs/dbraw/zinc/80/73/07/384807307.db2.gz OFFOWDAXVOFTGT-ZCFIWIBFSA-N 1 2 213.262 0.070 20 0 BCADLO CCCc1noc(C[NH2+][C@](C)(CC)C(N)=O)n1 ZINC000177126346 384873341 /nfs/dbraw/zinc/87/33/41/384873341.db2.gz OIEXAPKMYSQJPF-LLVKDONJSA-N 1 2 240.307 0.766 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000528430805 384877540 /nfs/dbraw/zinc/87/75/40/384877540.db2.gz UXTPNSJJXWGKSY-VKWJFSHESA-N 1 2 243.694 0.365 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000528430805 384877542 /nfs/dbraw/zinc/87/75/42/384877542.db2.gz UXTPNSJJXWGKSY-VKWJFSHESA-N 1 2 243.694 0.365 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000308622908 384878518 /nfs/dbraw/zinc/87/85/18/384878518.db2.gz UTARDTKMJHYZLO-BDAKNGLRSA-N 1 2 201.266 0.300 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nnc(C(C)C)o1)C(N)=O ZINC000177138499 384878942 /nfs/dbraw/zinc/87/89/42/384878942.db2.gz WNOZKHVSIQRPGO-LLVKDONJSA-N 1 2 240.307 0.937 20 0 BCADLO Cc1nc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)no1 ZINC000175216180 384882801 /nfs/dbraw/zinc/88/28/01/384882801.db2.gz KKOCVBNAFLJJCY-SECBINFHSA-N 1 2 238.291 0.465 20 0 BCADLO Cc1nc(C[N@H+]2CCC[C@H](CC(N)=O)C2)no1 ZINC000175216180 384882808 /nfs/dbraw/zinc/88/28/08/384882808.db2.gz KKOCVBNAFLJJCY-SECBINFHSA-N 1 2 238.291 0.465 20 0 BCADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC000497213776 384884610 /nfs/dbraw/zinc/88/46/10/384884610.db2.gz JOXBVPFRLCOWMH-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC000497213776 384884615 /nfs/dbraw/zinc/88/46/15/384884615.db2.gz JOXBVPFRLCOWMH-VIFPVBQESA-N 1 2 243.307 0.024 20 0 BCADLO CCN(C(=O)CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000647395467 384884994 /nfs/dbraw/zinc/88/49/94/384884994.db2.gz BPWPPMWNIATMEI-NSHDSACASA-N 1 2 239.319 0.893 20 0 BCADLO Cn1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000174922775 384851212 /nfs/dbraw/zinc/85/12/12/384851212.db2.gz JZQVMGNUGABXSO-UHFFFAOYSA-N 1 2 246.318 0.465 20 0 BCADLO C[C@H](O)C(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000163766120 384856132 /nfs/dbraw/zinc/85/61/32/384856132.db2.gz FVVJIEGDMZHUDI-VIFPVBQESA-N 1 2 225.292 0.549 20 0 BCADLO CCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000308600494 384859567 /nfs/dbraw/zinc/85/95/67/384859567.db2.gz OECCUFYIZBXQCN-JTQLQIEISA-N 1 2 201.266 0.708 20 0 BCADLO Cn1cc([C@H](CO)Nc2cccc[nH+]2)cn1 ZINC000270201907 384866994 /nfs/dbraw/zinc/86/69/94/384866994.db2.gz JTEICFRZQVXEPK-JTQLQIEISA-N 1 2 218.260 0.961 20 0 BCADLO COC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000648221470 384948914 /nfs/dbraw/zinc/94/89/14/384948914.db2.gz XQMLNFCHBUYRDG-UHFFFAOYSA-N 1 2 209.249 0.178 20 0 BCADLO CCC[C@H](C)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000555641972 384952941 /nfs/dbraw/zinc/95/29/41/384952941.db2.gz AELDVGOVHJGPCF-JTQLQIEISA-N 1 2 245.348 0.991 20 0 BCADLO O=C(Nc1cccc2c1CCN2)[C@@H]1COCC[NH2+]1 ZINC000644543820 384953719 /nfs/dbraw/zinc/95/37/19/384953719.db2.gz UAUGHOKNESFTMN-LBPRGKRZSA-N 1 2 247.298 0.582 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000156640275 384903629 /nfs/dbraw/zinc/90/36/29/384903629.db2.gz VIAIPYIZJHRXGP-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1cnnc1[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000156640275 384903643 /nfs/dbraw/zinc/90/36/43/384903643.db2.gz VIAIPYIZJHRXGP-LLVKDONJSA-N 1 2 246.318 0.849 20 0 BCADLO CC(C)n1c[nH+]cc1CN1CC(=O)N(C)C1 ZINC000335563121 384906664 /nfs/dbraw/zinc/90/66/64/384906664.db2.gz WJQWOYIPFHCMFF-UHFFFAOYSA-N 1 2 222.292 0.696 20 0 BCADLO CCOC(=O)NCC(=O)OCCn1cc[nH+]c1 ZINC000497254937 384918714 /nfs/dbraw/zinc/91/87/14/384918714.db2.gz XJGRAVSJQXBMHT-UHFFFAOYSA-N 1 2 241.247 0.172 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000177232208 384925785 /nfs/dbraw/zinc/92/57/85/384925785.db2.gz ZLOMECAVBMFZQY-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000177232208 384925792 /nfs/dbraw/zinc/92/57/92/384925792.db2.gz ZLOMECAVBMFZQY-UHFFFAOYSA-N 1 2 217.276 0.842 20 0 BCADLO OCC[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000156704425 384934443 /nfs/dbraw/zinc/93/44/43/384934443.db2.gz BGDROBRIQKWBNC-UHFFFAOYSA-N 1 2 242.710 0.244 20 0 BCADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000106868934 384936680 /nfs/dbraw/zinc/93/66/80/384936680.db2.gz LZTSDSXOSBDCQL-MRVPVSSYSA-N 1 2 243.307 0.071 20 0 BCADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000106868934 384936687 /nfs/dbraw/zinc/93/66/87/384936687.db2.gz LZTSDSXOSBDCQL-MRVPVSSYSA-N 1 2 243.307 0.071 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ncnn2C)C1 ZINC000401591337 384964847 /nfs/dbraw/zinc/96/48/47/384964847.db2.gz RIFYBVMYHAHRRJ-BDAKNGLRSA-N 1 2 210.281 0.018 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ncnn2C)C1 ZINC000401591337 384964849 /nfs/dbraw/zinc/96/48/49/384964849.db2.gz RIFYBVMYHAHRRJ-BDAKNGLRSA-N 1 2 210.281 0.018 20 0 BCADLO Cc1nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000152173487 384986581 /nfs/dbraw/zinc/98/65/81/384986581.db2.gz BBYTVSOMNWDOHK-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO Cc1nnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000152173487 384986589 /nfs/dbraw/zinc/98/65/89/384986589.db2.gz BBYTVSOMNWDOHK-MRVPVSSYSA-N 1 2 246.274 0.511 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000115574325 384990291 /nfs/dbraw/zinc/99/02/91/384990291.db2.gz SDWKAVYJVJZECO-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000115574325 384990295 /nfs/dbraw/zinc/99/02/95/384990295.db2.gz SDWKAVYJVJZECO-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](CO)C1 ZINC000086831640 385051458 /nfs/dbraw/zinc/05/14/58/385051458.db2.gz JUTJLFUBZLNLDT-JTQLQIEISA-N 1 2 226.276 0.485 20 0 BCADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](CO)C1 ZINC000086831640 385051463 /nfs/dbraw/zinc/05/14/63/385051463.db2.gz JUTJLFUBZLNLDT-JTQLQIEISA-N 1 2 226.276 0.485 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@H](C)O)c1 ZINC000518396508 385056762 /nfs/dbraw/zinc/05/67/62/385056762.db2.gz HBUYEXLOZHQJEU-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@H](C)O)c1 ZINC000518396508 385056768 /nfs/dbraw/zinc/05/67/68/385056768.db2.gz HBUYEXLOZHQJEU-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO C[C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646913956 385064434 /nfs/dbraw/zinc/06/44/34/385064434.db2.gz OXUYKUNZOFZPRW-VHSXEESVSA-N 1 2 237.303 0.190 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]n1)C(=O)N1CCCC1 ZINC000157103760 385072121 /nfs/dbraw/zinc/07/21/21/385072121.db2.gz MWDYFYVBLTZEDV-SECBINFHSA-N 1 2 222.292 0.510 20 0 BCADLO C[C@@]1(O)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000188206672 385025543 /nfs/dbraw/zinc/02/55/43/385025543.db2.gz GFSJVIFEUGHFSK-LLVKDONJSA-N 1 2 238.291 0.049 20 0 BCADLO C[C@@H](O)C[N@H+](CCO)Cc1nccn1C(F)F ZINC000310390634 385029187 /nfs/dbraw/zinc/02/91/87/385029187.db2.gz DMKYSHXDJITSFP-MRVPVSSYSA-N 1 2 249.261 0.453 20 0 BCADLO C[C@@H](O)C[N@@H+](CCO)Cc1nccn1C(F)F ZINC000310390634 385029192 /nfs/dbraw/zinc/02/91/92/385029192.db2.gz DMKYSHXDJITSFP-MRVPVSSYSA-N 1 2 249.261 0.453 20 0 BCADLO OC[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000051887243 385033818 /nfs/dbraw/zinc/03/38/18/385033818.db2.gz MDGWHKVATGDVAX-MRVPVSSYSA-N 1 2 223.276 0.761 20 0 BCADLO OC[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000051887243 385033827 /nfs/dbraw/zinc/03/38/27/385033827.db2.gz MDGWHKVATGDVAX-MRVPVSSYSA-N 1 2 223.276 0.761 20 0 BCADLO Cn1c[nH+]cc1COn1nnc2ccccc21 ZINC000336682481 385035762 /nfs/dbraw/zinc/03/57/62/385035762.db2.gz CDLOTBSAZQQRCO-UHFFFAOYSA-N 1 2 229.243 0.794 20 0 BCADLO O[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000152255976 385036405 /nfs/dbraw/zinc/03/64/05/385036405.db2.gz GQPCHGOQFBQXIQ-VIFPVBQESA-N 1 2 235.243 0.896 20 0 BCADLO O[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000152255976 385036412 /nfs/dbraw/zinc/03/64/12/385036412.db2.gz GQPCHGOQFBQXIQ-VIFPVBQESA-N 1 2 235.243 0.896 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000152256071 385036990 /nfs/dbraw/zinc/03/69/90/385036990.db2.gz GQPCHGOQFBQXIQ-SECBINFHSA-N 1 2 235.243 0.896 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000152256071 385036994 /nfs/dbraw/zinc/03/69/94/385036994.db2.gz GQPCHGOQFBQXIQ-SECBINFHSA-N 1 2 235.243 0.896 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[C@@H]2F)CCO1 ZINC000564851209 385037254 /nfs/dbraw/zinc/03/72/54/385037254.db2.gz HXTAECACOBFWRR-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[C@@H]2F)CCO1 ZINC000564851209 385037256 /nfs/dbraw/zinc/03/72/56/385037256.db2.gz HXTAECACOBFWRR-JFGNBEQYSA-N 1 2 244.310 0.571 20 0 BCADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)o1 ZINC000088094176 385039105 /nfs/dbraw/zinc/03/91/05/385039105.db2.gz QKKFWOXGPJYISH-LLVKDONJSA-N 1 2 211.261 0.781 20 0 BCADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)o1 ZINC000088094176 385039109 /nfs/dbraw/zinc/03/91/09/385039109.db2.gz QKKFWOXGPJYISH-LLVKDONJSA-N 1 2 211.261 0.781 20 0 BCADLO CNc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000157215420 385112961 /nfs/dbraw/zinc/11/29/61/385112961.db2.gz LUVYEBKAFYIUHZ-UHFFFAOYSA-N 1 2 245.286 0.819 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H](O)C1(C)C ZINC000129147753 385114227 /nfs/dbraw/zinc/11/42/27/385114227.db2.gz PGDYZACISUUEQH-RKDXNWHRSA-N 1 2 247.302 0.935 20 0 BCADLO Cc1ccn(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000189024218 385115176 /nfs/dbraw/zinc/11/51/76/385115176.db2.gz AGQHOHXKRPQRTB-UHFFFAOYSA-N 1 2 232.287 0.960 20 0 BCADLO Nc1[nH+]cnc(N2CC[C@@H](CO)C2)c1Cl ZINC000236389956 385117796 /nfs/dbraw/zinc/11/77/96/385117796.db2.gz JSCCBWPJLQZRSE-ZCFIWIBFSA-N 1 2 228.683 0.531 20 0 BCADLO Nc1nc[nH+]c(N2CC[C@@H](CO)C2)c1Cl ZINC000236389956 385117801 /nfs/dbraw/zinc/11/78/01/385117801.db2.gz JSCCBWPJLQZRSE-ZCFIWIBFSA-N 1 2 228.683 0.531 20 0 BCADLO CCC[C@@]1(C)C(=O)NCCN1Cc1c[nH+]c[nH]1 ZINC000189033423 385117994 /nfs/dbraw/zinc/11/79/94/385117994.db2.gz PZVPXOUZXYWALF-LBPRGKRZSA-N 1 2 236.319 0.900 20 0 BCADLO Cc1noc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)n1 ZINC000106443931 385120473 /nfs/dbraw/zinc/12/04/73/385120473.db2.gz FHORCKCZHZUNCC-QMMMGPOBSA-N 1 2 226.280 0.368 20 0 BCADLO Nc1ccc(NC(=O)CN2CCCC2=O)c[nH+]1 ZINC000061680549 385131909 /nfs/dbraw/zinc/13/19/09/385131909.db2.gz XBBKDQFWXMCWNW-UHFFFAOYSA-N 1 2 234.259 0.225 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000408046821 385138912 /nfs/dbraw/zinc/13/89/12/385138912.db2.gz YGMDHSMIMAGZAR-VWYCJHECSA-N 1 2 244.310 0.843 20 0 BCADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CC[C@@H]1CCCCO1 ZINC000408046821 385138918 /nfs/dbraw/zinc/13/89/18/385138918.db2.gz YGMDHSMIMAGZAR-VWYCJHECSA-N 1 2 244.310 0.843 20 0 BCADLO Cc1ccc(NC(=O)NCCO)c(C)[nH+]1 ZINC000176744798 385140320 /nfs/dbraw/zinc/14/03/20/385140320.db2.gz KKAAVQUKAOZKQF-UHFFFAOYSA-N 1 2 209.249 0.812 20 0 BCADLO Cc1noc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000407948065 385087728 /nfs/dbraw/zinc/08/77/28/385087728.db2.gz SMBZMFDTIYSQGZ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1noc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000407948065 385087738 /nfs/dbraw/zinc/08/77/38/385087738.db2.gz SMBZMFDTIYSQGZ-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO CC[N@@H+]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000644678431 385089565 /nfs/dbraw/zinc/08/95/65/385089565.db2.gz SJHQQWJXHMJFQD-VIFPVBQESA-N 1 2 223.324 0.639 20 0 BCADLO CC[N@H+]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000644678431 385089574 /nfs/dbraw/zinc/08/95/74/385089574.db2.gz SJHQQWJXHMJFQD-VIFPVBQESA-N 1 2 223.324 0.639 20 0 BCADLO CC(C)n1nnnc1CN1CCn2cc[nH+]c2C1 ZINC000407948636 385091597 /nfs/dbraw/zinc/09/15/97/385091597.db2.gz JVGFGDWPVMJSBE-UHFFFAOYSA-N 1 2 247.306 0.466 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nccs1 ZINC000340920782 385091927 /nfs/dbraw/zinc/09/19/27/385091927.db2.gz DVZBIWYRWBBVRH-SFYZADRCSA-N 1 2 241.316 0.537 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nccs1 ZINC000340920782 385091932 /nfs/dbraw/zinc/09/19/32/385091932.db2.gz DVZBIWYRWBBVRH-SFYZADRCSA-N 1 2 241.316 0.537 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000407949408 385100755 /nfs/dbraw/zinc/10/07/55/385100755.db2.gz HOMWHIVCEFVKQJ-ZJUUUORDSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000407949408 385100757 /nfs/dbraw/zinc/10/07/57/385100757.db2.gz HOMWHIVCEFVKQJ-ZJUUUORDSA-N 1 2 238.335 0.580 20 0 BCADLO C[C@H]1CN(Cc2c[nH+]cn2C)CCS1(=O)=O ZINC000407949338 385100770 /nfs/dbraw/zinc/10/07/70/385100770.db2.gz RBSNJDRCYCSQGH-VIFPVBQESA-N 1 2 243.332 0.039 20 0 BCADLO CCOc1nnc(C[N@@H+]2CC[C@](C)(O)C2)s1 ZINC000407950007 385103471 /nfs/dbraw/zinc/10/34/71/385103471.db2.gz YELSANHTNMSGRY-JTQLQIEISA-N 1 2 243.332 0.894 20 0 BCADLO CCOc1nnc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000407950007 385103478 /nfs/dbraw/zinc/10/34/78/385103478.db2.gz YELSANHTNMSGRY-JTQLQIEISA-N 1 2 243.332 0.894 20 0 BCADLO Cc1cnc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000407949813 385104678 /nfs/dbraw/zinc/10/46/78/385104678.db2.gz VVRFNQBWHXKCNN-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO Cc1cnc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000407949813 385104686 /nfs/dbraw/zinc/10/46/86/385104686.db2.gz VVRFNQBWHXKCNN-UHFFFAOYSA-N 1 2 220.276 0.107 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048480 385185710 /nfs/dbraw/zinc/18/57/10/385185710.db2.gz YGSRTAQIHHFARL-DBIOUOCHSA-N 1 2 242.319 0.129 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408048480 385185714 /nfs/dbraw/zinc/18/57/14/385185714.db2.gz YGSRTAQIHHFARL-DBIOUOCHSA-N 1 2 242.319 0.129 20 0 BCADLO Cc1cncc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000189863601 385192084 /nfs/dbraw/zinc/19/20/84/385192084.db2.gz WCZSZNCFBHTEPY-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000189863601 385192088 /nfs/dbraw/zinc/19/20/88/385192088.db2.gz WCZSZNCFBHTEPY-SNVBAGLBSA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cncc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000189918358 385193410 /nfs/dbraw/zinc/19/34/10/385193410.db2.gz TXGXDVKEBRKXLJ-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1cncc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000189918358 385193423 /nfs/dbraw/zinc/19/34/23/385193423.db2.gz TXGXDVKEBRKXLJ-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)n1C ZINC000177968615 385145799 /nfs/dbraw/zinc/14/57/99/385145799.db2.gz XAHYKSYURHQMSU-GFCCVEGCSA-N 1 2 238.335 0.895 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)n1C ZINC000177968615 385145804 /nfs/dbraw/zinc/14/58/04/385145804.db2.gz XAHYKSYURHQMSU-GFCCVEGCSA-N 1 2 238.335 0.895 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1csnn1 ZINC000291026832 385151682 /nfs/dbraw/zinc/15/16/82/385151682.db2.gz YEMZOFATORFEOC-YUMQZZPRSA-N 1 2 215.278 0.042 20 0 BCADLO CN(C(=O)C[N@@H+]1CCN(C)C(C)(C)C1)C1CC1 ZINC000559759448 385154424 /nfs/dbraw/zinc/15/44/24/385154424.db2.gz IXINXXRZUNWYBB-UHFFFAOYSA-N 1 2 239.363 0.633 20 0 BCADLO CN(C(=O)C[N@H+]1CCN(C)C(C)(C)C1)C1CC1 ZINC000559759448 385154429 /nfs/dbraw/zinc/15/44/29/385154429.db2.gz IXINXXRZUNWYBB-UHFFFAOYSA-N 1 2 239.363 0.633 20 0 BCADLO CC[N@H+](CC(=O)Nc1nnc(C)[nH]1)C1CC1 ZINC000152174036 385162442 /nfs/dbraw/zinc/16/24/42/385162442.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@@H+](CC(=O)Nc1nnc(C)[nH]1)C1CC1 ZINC000152174036 385162448 /nfs/dbraw/zinc/16/24/48/385162448.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@H+](CC(=O)Nc1n[nH]c(C)n1)C1CC1 ZINC000152174036 385162454 /nfs/dbraw/zinc/16/24/54/385162454.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@@H+](CC(=O)Nc1n[nH]c(C)n1)C1CC1 ZINC000152174036 385162458 /nfs/dbraw/zinc/16/24/58/385162458.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@H+](CC(=O)Nc1nc(C)n[nH]1)C1CC1 ZINC000152174036 385162465 /nfs/dbraw/zinc/16/24/65/385162465.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO CC[N@@H+](CC(=O)Nc1nc(C)n[nH]1)C1CC1 ZINC000152174036 385162469 /nfs/dbraw/zinc/16/24/69/385162469.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 1 2 223.280 0.536 20 0 BCADLO Cn1cncc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000176986999 385166317 /nfs/dbraw/zinc/16/63/17/385166317.db2.gz RXOFRZHEOABEGE-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO Cn1cncc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000176986999 385166327 /nfs/dbraw/zinc/16/63/27/385166327.db2.gz RXOFRZHEOABEGE-JTQLQIEISA-N 1 2 222.292 0.260 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2c[nH+]c[nH]2)O1 ZINC000407961813 385177166 /nfs/dbraw/zinc/17/71/66/385177166.db2.gz BBKUZXYEPPDTPA-MRTMQBJTSA-N 1 2 223.276 0.839 20 0 BCADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2c[nH]c[nH+]2)O1 ZINC000407961813 385177178 /nfs/dbraw/zinc/17/71/78/385177178.db2.gz BBKUZXYEPPDTPA-MRTMQBJTSA-N 1 2 223.276 0.839 20 0 BCADLO COCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530942026 385178165 /nfs/dbraw/zinc/17/81/65/385178165.db2.gz ZUMIHGCTFSRCGW-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO CN(C(=O)C[N@H+](C)CCO)c1nccs1 ZINC000303992074 385178510 /nfs/dbraw/zinc/17/85/10/385178510.db2.gz MGTROFVVOVKACC-UHFFFAOYSA-N 1 2 229.305 0.030 20 0 BCADLO CN(C(=O)C[N@@H+](C)CCO)c1nccs1 ZINC000303992074 385178516 /nfs/dbraw/zinc/17/85/16/385178516.db2.gz MGTROFVVOVKACC-UHFFFAOYSA-N 1 2 229.305 0.030 20 0 BCADLO CCN(CC)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177247217 385206734 /nfs/dbraw/zinc/20/67/34/385206734.db2.gz HDHQXURHHQHQAP-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177247217 385206738 /nfs/dbraw/zinc/20/67/38/385206738.db2.gz HDHQXURHHQHQAP-UHFFFAOYSA-N 1 2 236.319 0.777 20 0 BCADLO COC(=O)[C@@H]1CCCN1Cc1c[nH+]cn1C ZINC000090233441 385217487 /nfs/dbraw/zinc/21/74/87/385217487.db2.gz AEQHXZAYIWMCTA-JTQLQIEISA-N 1 2 223.276 0.558 20 0 BCADLO CCOCCOCC[N@H+](C)Cc1ncc[nH]1 ZINC000190277246 385224700 /nfs/dbraw/zinc/22/47/00/385224700.db2.gz NFIJCWNQMAOKMT-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCOCCOCC[N@@H+](C)Cc1ncc[nH]1 ZINC000190277246 385224710 /nfs/dbraw/zinc/22/47/10/385224710.db2.gz NFIJCWNQMAOKMT-UHFFFAOYSA-N 1 2 227.308 0.895 20 0 BCADLO CCONC(=O)N(C)Cc1[nH+]ccn1C ZINC000166581842 385257215 /nfs/dbraw/zinc/25/72/15/385257215.db2.gz YBMPYWRGYLIJAG-UHFFFAOYSA-N 1 2 212.253 0.513 20 0 BCADLO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccco1 ZINC000449784591 385234846 /nfs/dbraw/zinc/23/48/46/385234846.db2.gz BUUCYIZUSUQJTR-LLVKDONJSA-N 1 2 224.304 0.778 20 0 BCADLO C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccco1 ZINC000449784591 385234855 /nfs/dbraw/zinc/23/48/55/385234855.db2.gz BUUCYIZUSUQJTR-LLVKDONJSA-N 1 2 224.304 0.778 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000647078841 385238177 /nfs/dbraw/zinc/23/81/77/385238177.db2.gz MKWXIQXXEFGVHW-MRVPVSSYSA-N 1 2 223.280 0.238 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000647078841 385238181 /nfs/dbraw/zinc/23/81/81/385238181.db2.gz MKWXIQXXEFGVHW-MRVPVSSYSA-N 1 2 223.280 0.238 20 0 BCADLO Cn1cnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000647079444 385241149 /nfs/dbraw/zinc/24/11/49/385241149.db2.gz JJOOWBNBSVSASP-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO C[C@@H]1SCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1C ZINC000336396791 385251586 /nfs/dbraw/zinc/25/15/86/385251586.db2.gz OQPSOUVOMPDPFU-YUMQZZPRSA-N 1 2 242.348 0.434 20 0 BCADLO C[C@@H]1SCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1C ZINC000336396791 385251591 /nfs/dbraw/zinc/25/15/91/385251591.db2.gz OQPSOUVOMPDPFU-YUMQZZPRSA-N 1 2 242.348 0.434 20 0 BCADLO CC[C@@H](COC)NC(=O)NCc1c[nH+]cn1C ZINC000290844559 385254090 /nfs/dbraw/zinc/25/40/90/385254090.db2.gz ZJEJPCUHSPLPTH-VIFPVBQESA-N 1 2 240.307 0.644 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCn1cccc1 ZINC000290662805 385254809 /nfs/dbraw/zinc/25/48/09/385254809.db2.gz GHSRZTFVXKDVKR-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO Nc1[nH+]cnc(N2CCC[C@@H](CO)C2)c1Cl ZINC000227841115 385309000 /nfs/dbraw/zinc/30/90/00/385309000.db2.gz IUTGGITZSHAJHP-SSDOTTSWSA-N 1 2 242.710 0.921 20 0 BCADLO Nc1nc[nH+]c(N2CCC[C@@H](CO)C2)c1Cl ZINC000227841115 385309004 /nfs/dbraw/zinc/30/90/04/385309004.db2.gz IUTGGITZSHAJHP-SSDOTTSWSA-N 1 2 242.710 0.921 20 0 BCADLO Cc1nc(CN(C)Cc2cc[nH+]c(N)c2)no1 ZINC000191609830 385311711 /nfs/dbraw/zinc/31/17/11/385311711.db2.gz JTBZVGQMFKLDFI-UHFFFAOYSA-N 1 2 233.275 0.987 20 0 BCADLO CCN(CC(N)=O)c1cc(C)[nH+]c(C2CC2)n1 ZINC000191752818 385320707 /nfs/dbraw/zinc/32/07/07/385320707.db2.gz BWHYMNDUVFZWMI-UHFFFAOYSA-N 1 2 234.303 0.974 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccon1 ZINC000408056749 385320750 /nfs/dbraw/zinc/32/07/50/385320750.db2.gz LAICCKLUBMORSS-SCZZXKLOSA-N 1 2 239.275 0.182 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccon1 ZINC000408056749 385320757 /nfs/dbraw/zinc/32/07/57/385320757.db2.gz LAICCKLUBMORSS-SCZZXKLOSA-N 1 2 239.275 0.182 20 0 BCADLO C[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000037887371 385321310 /nfs/dbraw/zinc/32/13/10/385321310.db2.gz ANYBVQLMLNVZLW-ZDUSSCGKSA-N 1 2 241.379 0.127 20 0 BCADLO CC[C@H](NC(=O)c1cccc(=O)[nH]1)c1[nH]cc[nH+]1 ZINC000234031615 385266522 /nfs/dbraw/zinc/26/65/22/385266522.db2.gz ZPPACTVZTHBBPR-QMMMGPOBSA-N 1 2 246.270 0.979 20 0 BCADLO CCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000308903153 385274036 /nfs/dbraw/zinc/27/40/36/385274036.db2.gz CMSWVGWOXIHYPX-SSDOTTSWSA-N 1 2 206.236 0.900 20 0 BCADLO C[C@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)CCO1 ZINC000190984179 385274767 /nfs/dbraw/zinc/27/47/67/385274767.db2.gz STCPQYLETZTDFH-ZETCQYMHSA-N 1 2 248.290 0.171 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000034227158 385275412 /nfs/dbraw/zinc/27/54/12/385275412.db2.gz JYJKFDHLEYMLDX-NWDGAFQWSA-N 1 2 235.283 0.795 20 0 BCADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000034227158 385275420 /nfs/dbraw/zinc/27/54/20/385275420.db2.gz JYJKFDHLEYMLDX-NWDGAFQWSA-N 1 2 235.283 0.795 20 0 BCADLO CC(=O)N1CC(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000191216413 385293687 /nfs/dbraw/zinc/29/36/87/385293687.db2.gz LTBBXCBUYWRYEE-UHFFFAOYSA-N 1 2 233.271 0.807 20 0 BCADLO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ncn(C)n1 ZINC000308925091 385296558 /nfs/dbraw/zinc/29/65/58/385296558.db2.gz DBHHZTYCKHVRKT-RKDXNWHRSA-N 1 2 210.281 0.645 20 0 BCADLO COc1cncc(C[N@H+](C)C(C)(C)C(N)=O)n1 ZINC000625449947 385300984 /nfs/dbraw/zinc/30/09/84/385300984.db2.gz HTHQTFGCISOFRV-UHFFFAOYSA-N 1 2 238.291 0.181 20 0 BCADLO COc1cncc(C[N@@H+](C)C(C)(C)C(N)=O)n1 ZINC000625449947 385300987 /nfs/dbraw/zinc/30/09/87/385300987.db2.gz HTHQTFGCISOFRV-UHFFFAOYSA-N 1 2 238.291 0.181 20 0 BCADLO CCn1ccnc(NCC(F)(F)C[NH3+])c1=O ZINC000164932352 385333136 /nfs/dbraw/zinc/33/31/36/385333136.db2.gz XNBHNIXISIPJHD-UHFFFAOYSA-N 1 2 232.234 0.269 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccon1 ZINC000308997591 385338449 /nfs/dbraw/zinc/33/84/49/385338449.db2.gz NBNSJNSZKRICRW-VXNVDRBHSA-N 1 2 209.249 0.556 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000178188989 385343416 /nfs/dbraw/zinc/34/34/16/385343416.db2.gz OHZGLGWEMHBUGG-CHWSQXEVSA-N 1 2 246.310 0.948 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000178188989 385343421 /nfs/dbraw/zinc/34/34/21/385343421.db2.gz OHZGLGWEMHBUGG-CHWSQXEVSA-N 1 2 246.310 0.948 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](C[C@@H](C)O)C1 ZINC000407999075 385346990 /nfs/dbraw/zinc/34/69/90/385346990.db2.gz SWTLUFIWMIUUKE-QNSHHTMESA-N 1 2 240.307 0.256 20 0 BCADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](C[C@@H](C)O)C1 ZINC000407999075 385346995 /nfs/dbraw/zinc/34/69/95/385346995.db2.gz SWTLUFIWMIUUKE-QNSHHTMESA-N 1 2 240.307 0.256 20 0 BCADLO Cc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000178282851 385349586 /nfs/dbraw/zinc/34/95/86/385349586.db2.gz UDAPZYGDPKLTCL-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000178282851 385349591 /nfs/dbraw/zinc/34/95/91/385349591.db2.gz UDAPZYGDPKLTCL-JTQLQIEISA-N 1 2 208.261 0.908 20 0 BCADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCNC2=O)s1 ZINC000179069573 385366138 /nfs/dbraw/zinc/36/61/38/385366138.db2.gz CTEPJYJCHSPOEB-HTQZYQBOSA-N 1 2 225.317 0.991 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309038964 385375777 /nfs/dbraw/zinc/37/57/77/385375777.db2.gz JZIMVJSLISLXKF-QMMMGPOBSA-N 1 2 211.265 0.804 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1csnn1 ZINC000120621939 385392124 /nfs/dbraw/zinc/39/21/24/385392124.db2.gz IAAHVDLYJGZSFC-ZETCQYMHSA-N 1 2 229.305 0.779 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1csnn1 ZINC000120621939 385392130 /nfs/dbraw/zinc/39/21/30/385392130.db2.gz IAAHVDLYJGZSFC-ZETCQYMHSA-N 1 2 229.305 0.779 20 0 BCADLO COC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364386877 385401685 /nfs/dbraw/zinc/40/16/85/385401685.db2.gz FRIYGRPWPLRZFF-ZJUUUORDSA-N 1 2 237.303 0.597 20 0 BCADLO c1cn(CCN2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193668812 385406072 /nfs/dbraw/zinc/40/60/72/385406072.db2.gz DVTRCAQKLXODBH-GFCCVEGCSA-N 1 2 237.303 0.374 20 0 BCADLO c1cn(CC[N@@H+]2CCOC[C@]23CCOC3)cn1 ZINC000193668812 385406077 /nfs/dbraw/zinc/40/60/77/385406077.db2.gz DVTRCAQKLXODBH-GFCCVEGCSA-N 1 2 237.303 0.374 20 0 BCADLO c1cn(CC[N@H+]2CCOC[C@]23CCOC3)cn1 ZINC000193668812 385406081 /nfs/dbraw/zinc/40/60/81/385406081.db2.gz DVTRCAQKLXODBH-GFCCVEGCSA-N 1 2 237.303 0.374 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccncc1 ZINC000155714134 385407785 /nfs/dbraw/zinc/40/77/85/385407785.db2.gz WTYFXJRDSNPZIM-MNOVXSKESA-N 1 2 236.271 0.190 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccncc1 ZINC000155714134 385407788 /nfs/dbraw/zinc/40/77/88/385407788.db2.gz WTYFXJRDSNPZIM-MNOVXSKESA-N 1 2 236.271 0.190 20 0 BCADLO Cn1cc(C[N@@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000193702177 385409631 /nfs/dbraw/zinc/40/96/31/385409631.db2.gz LJWPYPOZGXSKHU-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO Cn1cc(C[N@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000193702177 385409634 /nfs/dbraw/zinc/40/96/34/385409634.db2.gz LJWPYPOZGXSKHU-LBPRGKRZSA-N 1 2 237.303 0.411 20 0 BCADLO CC(=O)CC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000155792709 385411825 /nfs/dbraw/zinc/41/18/25/385411825.db2.gz ZVNUCSRRMFLFDP-UHFFFAOYSA-N 1 2 234.299 0.953 20 0 BCADLO CC(=O)CC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000155792709 385411828 /nfs/dbraw/zinc/41/18/28/385411828.db2.gz ZVNUCSRRMFLFDP-UHFFFAOYSA-N 1 2 234.299 0.953 20 0 BCADLO C[C@H](NCC[NH+]1CCC1)c1nccn1C ZINC000309116159 385422791 /nfs/dbraw/zinc/42/27/91/385422791.db2.gz LOLJIVLJYOLTHF-JTQLQIEISA-N 1 2 208.309 0.776 20 0 BCADLO C[C@H](O)[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166042596 385441290 /nfs/dbraw/zinc/44/12/90/385441290.db2.gz KZXSYURDBIATNP-GXSJLCMTSA-N 1 2 222.288 0.781 20 0 BCADLO COc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1C ZINC000301879843 385442387 /nfs/dbraw/zinc/44/23/87/385442387.db2.gz FFVBYFMFRWGSST-UHFFFAOYSA-N 1 2 249.274 0.424 20 0 BCADLO C[NH+](C)CC(=O)Nc1nnc(C(F)F)s1 ZINC000170766613 385444273 /nfs/dbraw/zinc/44/42/73/385444273.db2.gz QVYSQUSHJRQUHC-UHFFFAOYSA-N 1 2 236.247 0.976 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)NCC1CC1 ZINC000179158222 385446298 /nfs/dbraw/zinc/44/62/98/385446298.db2.gz VZHPGSGEGIBFEB-UHFFFAOYSA-N 1 2 209.249 0.453 20 0 BCADLO CCCc1noc(C[N@H+](C)CCC(=O)NC)n1 ZINC000170793113 385446441 /nfs/dbraw/zinc/44/64/41/385446441.db2.gz XMIGFGXHGDBMNX-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO CCCc1noc(C[N@@H+](C)CCC(=O)NC)n1 ZINC000170793113 385446445 /nfs/dbraw/zinc/44/64/45/385446445.db2.gz XMIGFGXHGDBMNX-UHFFFAOYSA-N 1 2 240.307 0.590 20 0 BCADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@H](C)O ZINC000194830836 385450019 /nfs/dbraw/zinc/45/00/19/385450019.db2.gz NQTFHLSZVWIXLV-GUBZILKMSA-N 1 2 229.276 0.191 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccccn1 ZINC000170928305 385456182 /nfs/dbraw/zinc/45/61/82/385456182.db2.gz OTMUGUFRVQCXCA-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccccn1 ZINC000170928305 385456184 /nfs/dbraw/zinc/45/61/84/385456184.db2.gz OTMUGUFRVQCXCA-UHFFFAOYSA-N 1 2 207.277 0.650 20 0 BCADLO COC(=O)CN(C)Cc1cccc2[nH+]ccn21 ZINC000179710145 385486508 /nfs/dbraw/zinc/48/65/08/385486508.db2.gz UWDRBZYLUWZZTC-UHFFFAOYSA-N 1 2 233.271 0.939 20 0 BCADLO C[C@@H](O)C[C@@H]1COCCN1Cc1[nH+]ccn1C ZINC000157123337 385487449 /nfs/dbraw/zinc/48/74/49/385487449.db2.gz UXJQDDMQQFUASN-GHMZBOCLSA-N 1 2 239.319 0.392 20 0 BCADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1nncs1 ZINC000492902107 385461548 /nfs/dbraw/zinc/46/15/48/385461548.db2.gz QNROKAHSDLRAPD-NSCUHMNNSA-N 1 2 235.272 0.937 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](O)CC1 ZINC000493094637 385518432 /nfs/dbraw/zinc/51/84/32/385518432.db2.gz RMAHBCOSGVZQHQ-PGLGOXFNSA-N 1 2 235.287 0.796 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cncn1C ZINC000157447038 385502227 /nfs/dbraw/zinc/50/22/27/385502227.db2.gz PQSFROSIMDTIHG-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cncn1C ZINC000157447038 385502229 /nfs/dbraw/zinc/50/22/29/385502229.db2.gz PQSFROSIMDTIHG-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CC(C)C(=O)NCCN(C)Cc1c[nH+]cn1C ZINC000157447038 385502233 /nfs/dbraw/zinc/50/22/33/385502233.db2.gz PQSFROSIMDTIHG-UHFFFAOYSA-N 1 2 238.335 0.624 20 0 BCADLO CO[C@H](C)c1nsc(N2CC[NH+](C)CC2)n1 ZINC000309270538 385505779 /nfs/dbraw/zinc/50/57/79/385505779.db2.gz GCFDVUOHLFWFST-MRVPVSSYSA-N 1 2 242.348 0.997 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000408154636 385574965 /nfs/dbraw/zinc/57/49/65/385574965.db2.gz LOFJJROHKZVJFN-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO COC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000309395470 385561015 /nfs/dbraw/zinc/56/10/15/385561015.db2.gz QCWSJRCKXZEJDH-UHFFFAOYSA-N 1 2 224.264 0.157 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107293360 385561425 /nfs/dbraw/zinc/56/14/25/385561425.db2.gz VBDAGOHLVXSMPG-QMMMGPOBSA-N 1 2 221.260 0.853 20 0 BCADLO Cc1ccc(NC(=O)NC[C@H](O)CO)c(C)[nH+]1 ZINC000181232529 385567799 /nfs/dbraw/zinc/56/77/99/385567799.db2.gz KHGWRXBKVUTSMT-VIFPVBQESA-N 1 2 239.275 0.173 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)Cn1cccnc1=O ZINC000337323930 385597379 /nfs/dbraw/zinc/59/73/79/385597379.db2.gz MOEXYZYEMDFUHB-UHFFFAOYSA-N 1 2 244.254 0.007 20 0 BCADLO COC[C@@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000354022296 385598544 /nfs/dbraw/zinc/59/85/44/385598544.db2.gz MXOKSCXNZDOMJZ-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)S(C)(=O)=O ZINC000337329784 385598619 /nfs/dbraw/zinc/59/86/19/385598619.db2.gz SUJLAWFERRLVJR-QMMMGPOBSA-N 1 2 242.300 0.184 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1ccc(=O)n(C)n1 ZINC000337332074 385600425 /nfs/dbraw/zinc/60/04/25/385600425.db2.gz IYMPFHUYKORAAP-UHFFFAOYSA-N 1 2 244.254 0.158 20 0 BCADLO CC[NH+](CC)Cc1nc(N)nc(N(C)C)n1 ZINC000280759944 385600876 /nfs/dbraw/zinc/60/08/76/385600876.db2.gz QPXFJODWXJVABE-UHFFFAOYSA-N 1 2 224.312 0.362 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000365675371 385601281 /nfs/dbraw/zinc/60/12/81/385601281.db2.gz MIDVSPNFPSWAOC-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000365675371 385601286 /nfs/dbraw/zinc/60/12/86/385601286.db2.gz MIDVSPNFPSWAOC-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)c1csnn1 ZINC000337332202 385601934 /nfs/dbraw/zinc/60/19/34/385601934.db2.gz WUGBXTHBHSHOMP-UHFFFAOYSA-N 1 2 220.257 0.916 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000269542429 385604943 /nfs/dbraw/zinc/60/49/43/385604943.db2.gz BILBVYFCFYJTSH-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO Cc1ccncc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000269542429 385604947 /nfs/dbraw/zinc/60/49/47/385604947.db2.gz BILBVYFCFYJTSH-LLVKDONJSA-N 1 2 235.287 0.076 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181555234 385584423 /nfs/dbraw/zinc/58/44/23/385584423.db2.gz SBCNRBJGOOKHHY-DGCLKSJQSA-N 1 2 248.326 0.804 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181555234 385584426 /nfs/dbraw/zinc/58/44/26/385584426.db2.gz SBCNRBJGOOKHHY-DGCLKSJQSA-N 1 2 248.326 0.804 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C(=O)O1 ZINC000493599422 385585611 /nfs/dbraw/zinc/58/56/11/385585611.db2.gz SJTACQASYRTQSY-YEMZYZDBSA-N 1 2 235.243 0.243 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280897263 385615815 /nfs/dbraw/zinc/61/58/15/385615815.db2.gz HHQDUYBVBCHCDY-KKZNHRDASA-N 1 2 236.319 0.547 20 0 BCADLO COC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000365150238 385618397 /nfs/dbraw/zinc/61/83/97/385618397.db2.gz BIYQBGMNRBPSCA-UHFFFAOYSA-N 1 2 223.276 0.693 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000493774377 385618562 /nfs/dbraw/zinc/61/85/62/385618562.db2.gz ZIIBWHVSQRILIL-UEATWPRQSA-N 1 2 219.244 0.184 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(C)no1 ZINC000269674677 385623207 /nfs/dbraw/zinc/62/32/07/385623207.db2.gz RUABCNCLRGQYTP-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nc(C)no1 ZINC000269674677 385623210 /nfs/dbraw/zinc/62/32/10/385623210.db2.gz RUABCNCLRGQYTP-VIFPVBQESA-N 1 2 239.275 0.906 20 0 BCADLO O=c1[nH]nc([C@@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000408199882 385624368 /nfs/dbraw/zinc/62/43/68/385624368.db2.gz XQTWTNCIIFGXFP-ZETCQYMHSA-N 1 2 212.253 0.030 20 0 BCADLO O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000408199882 385624371 /nfs/dbraw/zinc/62/43/71/385624371.db2.gz XQTWTNCIIFGXFP-ZETCQYMHSA-N 1 2 212.253 0.030 20 0 BCADLO CO[C@@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000280819911 385608191 /nfs/dbraw/zinc/60/81/91/385608191.db2.gz HTPSZSLDVHBVON-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000337446855 385664497 /nfs/dbraw/zinc/66/44/97/385664497.db2.gz IVFWFTIKMTYGPV-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000337446855 385664505 /nfs/dbraw/zinc/66/45/05/385664505.db2.gz IVFWFTIKMTYGPV-NSHDSACASA-N 1 2 240.328 0.701 20 0 BCADLO Cn1nncc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354696380 385637572 /nfs/dbraw/zinc/63/75/72/385637572.db2.gz BOXACRAQMSXSMT-STQMWFEESA-N 1 2 248.330 0.959 20 0 BCADLO Cn1nncc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354696380 385637580 /nfs/dbraw/zinc/63/75/80/385637580.db2.gz BOXACRAQMSXSMT-STQMWFEESA-N 1 2 248.330 0.959 20 0 BCADLO CC(C)COCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337382820 385637822 /nfs/dbraw/zinc/63/78/22/385637822.db2.gz CWMNMQQRRYVCTI-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO CC(C)COCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337382820 385637826 /nfs/dbraw/zinc/63/78/26/385637826.db2.gz CWMNMQQRRYVCTI-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO Cn1cc2c(n1)ncnc2NCc1[nH+]ccn1C ZINC000269825154 385638439 /nfs/dbraw/zinc/63/84/39/385638439.db2.gz HMSKWNNMAMTMDY-UHFFFAOYSA-N 1 2 243.274 0.709 20 0 BCADLO CN(c1nc[nH+]c(N)c1Cl)C1CC(O)C1 ZINC000336682138 385641705 /nfs/dbraw/zinc/64/17/05/385641705.db2.gz JEZMKUYUWCBYAF-UHFFFAOYSA-N 1 2 228.683 0.672 20 0 BCADLO CN(c1[nH+]cnc(N)c1Cl)C1CC(O)C1 ZINC000336682138 385641711 /nfs/dbraw/zinc/64/17/11/385641711.db2.gz JEZMKUYUWCBYAF-UHFFFAOYSA-N 1 2 228.683 0.672 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)C2CC2)c[nH+]1 ZINC000269862144 385641979 /nfs/dbraw/zinc/64/19/79/385641979.db2.gz REKYJVWORVNKGQ-SECBINFHSA-N 1 2 209.249 0.219 20 0 BCADLO CS[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000269874651 385642683 /nfs/dbraw/zinc/64/26/83/385642683.db2.gz ZUQIPSMQXBBLSR-QMMMGPOBSA-N 1 2 242.348 0.971 20 0 BCADLO Cc1ccc(C(=O)C(=O)NCC[NH+]2CCC2)cc1 ZINC000337422691 385655820 /nfs/dbraw/zinc/65/58/20/385655820.db2.gz VIGHQFOGGWEBAB-UHFFFAOYSA-N 1 2 246.310 1.000 20 0 BCADLO CCCCOCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337443489 385662980 /nfs/dbraw/zinc/66/29/80/385662980.db2.gz HDNQKVFTQOCAEG-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO CCCCOCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337443489 385662986 /nfs/dbraw/zinc/66/29/86/385662986.db2.gz HDNQKVFTQOCAEG-NSHDSACASA-N 1 2 228.336 0.966 20 0 BCADLO COC[C@H]([NH2+][C@@H](C)C(N)=O)c1ccco1 ZINC000184522917 385672687 /nfs/dbraw/zinc/67/26/87/385672687.db2.gz XOJQILPZLQYCPG-YUMQZZPRSA-N 1 2 212.249 0.431 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]1C ZINC000645218066 385679439 /nfs/dbraw/zinc/67/94/39/385679439.db2.gz BJGJEJJTPVJJFT-HTQZYQBOSA-N 1 2 247.302 0.909 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]1C ZINC000645218066 385679445 /nfs/dbraw/zinc/67/94/45/385679445.db2.gz BJGJEJJTPVJJFT-HTQZYQBOSA-N 1 2 247.302 0.909 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCOC1 ZINC000337480192 385679509 /nfs/dbraw/zinc/67/95/09/385679509.db2.gz WFQMMMGWOJYUDQ-SECBINFHSA-N 1 2 209.249 0.178 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)CC(C)(C)O ZINC000281556435 385680953 /nfs/dbraw/zinc/68/09/53/385680953.db2.gz LMXJTJXXALUDJQ-UHFFFAOYSA-N 1 2 239.319 0.893 20 0 BCADLO Cc1nnc(N(C)CC[NH+]2CCOCC2)o1 ZINC000340022822 385682493 /nfs/dbraw/zinc/68/24/93/385682493.db2.gz KKLHNAFOQMWSKX-UHFFFAOYSA-N 1 2 226.280 0.146 20 0 BCADLO COC[C@@H]([NH2+]CC(=O)N(C)C)c1ccco1 ZINC000184614370 385684455 /nfs/dbraw/zinc/68/44/55/385684455.db2.gz QEQBGKPLAGSIFJ-SECBINFHSA-N 1 2 226.276 0.645 20 0 BCADLO C[C@H](O)CN(CCn1cc[nH+]c1)CC(F)F ZINC000451839881 385717689 /nfs/dbraw/zinc/71/76/89/385717689.db2.gz RXVGMKCWXNABDI-VIFPVBQESA-N 1 2 233.262 0.831 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000408456863 385699922 /nfs/dbraw/zinc/69/99/22/385699922.db2.gz LXLACDNRWCTERZ-GZMMTYOYSA-N 1 2 213.277 0.237 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000408456863 385699924 /nfs/dbraw/zinc/69/99/24/385699924.db2.gz LXLACDNRWCTERZ-GZMMTYOYSA-N 1 2 213.277 0.237 20 0 BCADLO Cc1[nH]c(C(=O)NCCC[C@@H](C)CO)c[nH+]1 ZINC000270449203 385708104 /nfs/dbraw/zinc/70/81/04/385708104.db2.gz MOVPVGZBNHMLCM-MRVPVSSYSA-N 1 2 225.292 0.857 20 0 BCADLO C[N@H+](Cc1ccccn1)[C@@H]1CCNC1=O ZINC000270423781 385708454 /nfs/dbraw/zinc/70/84/54/385708454.db2.gz VBTVLTXKJQOPNQ-SNVBAGLBSA-N 1 2 205.261 0.402 20 0 BCADLO C[N@@H+](Cc1ccccn1)[C@@H]1CCNC1=O ZINC000270423781 385708456 /nfs/dbraw/zinc/70/84/56/385708456.db2.gz VBTVLTXKJQOPNQ-SNVBAGLBSA-N 1 2 205.261 0.402 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000184737647 385708910 /nfs/dbraw/zinc/70/89/10/385708910.db2.gz YJPONFHBNNULTJ-IUCAKERBSA-N 1 2 231.292 0.727 20 0 BCADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1nc[nH]n1 ZINC000182818208 385709103 /nfs/dbraw/zinc/70/91/03/385709103.db2.gz VMBIMAKBCKUISC-ZCFIWIBFSA-N 1 2 244.262 0.655 20 0 BCADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC000281858644 385709611 /nfs/dbraw/zinc/70/96/11/385709611.db2.gz ZNAWEUUIUBWCTP-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO COC[C@H](C)[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307212891 385667245 /nfs/dbraw/zinc/66/72/45/385667245.db2.gz WHYSUQJTEHCDHH-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO COC[C@H](C)[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307212891 385667252 /nfs/dbraw/zinc/66/72/52/385667252.db2.gz WHYSUQJTEHCDHH-RWEMILLDSA-N 1 2 205.323 0.474 20 0 BCADLO O=C1C[N@H+](CCCF)CCN1C1CC1 ZINC000337457942 385669726 /nfs/dbraw/zinc/66/97/26/385669726.db2.gz IXHDYPJTGRPPHH-UHFFFAOYSA-N 1 2 200.257 0.653 20 0 BCADLO O=C1C[N@@H+](CCCF)CCN1C1CC1 ZINC000337457942 385669735 /nfs/dbraw/zinc/66/97/35/385669735.db2.gz IXHDYPJTGRPPHH-UHFFFAOYSA-N 1 2 200.257 0.653 20 0 BCADLO CC(C)OC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000647939763 385736376 /nfs/dbraw/zinc/73/63/76/385736376.db2.gz ZXSBPUPLABURBQ-LBPRGKRZSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000647939763 385736379 /nfs/dbraw/zinc/73/63/79/385736379.db2.gz ZXSBPUPLABURBQ-LBPRGKRZSA-N 1 2 239.319 0.485 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000647939763 385736383 /nfs/dbraw/zinc/73/63/83/385736383.db2.gz ZXSBPUPLABURBQ-LBPRGKRZSA-N 1 2 239.319 0.485 20 0 BCADLO C[C@H](O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000270744403 385737218 /nfs/dbraw/zinc/73/72/18/385737218.db2.gz GVQDNBUUGMWFGV-NSHDSACASA-N 1 2 249.314 0.107 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000270741818 385738641 /nfs/dbraw/zinc/73/86/41/385738641.db2.gz GIUNTSOVVGKRCS-MRVPVSSYSA-N 1 2 223.276 0.145 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)[nH]1 ZINC000336694564 385741309 /nfs/dbraw/zinc/74/13/09/385741309.db2.gz YDEMLIUVIKMETG-SECBINFHSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)[nH]1 ZINC000336694564 385741314 /nfs/dbraw/zinc/74/13/14/385741314.db2.gz YDEMLIUVIKMETG-SECBINFHSA-N 1 2 224.308 0.706 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000336694968 385743836 /nfs/dbraw/zinc/74/38/36/385743836.db2.gz NUDRGWVXZZSFBZ-JTQLQIEISA-N 1 2 210.281 0.460 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000336694968 385743839 /nfs/dbraw/zinc/74/38/39/385743839.db2.gz NUDRGWVXZZSFBZ-JTQLQIEISA-N 1 2 210.281 0.460 20 0 BCADLO COCC[C@H](COC)[NH2+]Cc1ccn[nH]1 ZINC000336696551 385748384 /nfs/dbraw/zinc/74/83/84/385748384.db2.gz NZOWBRCXMLLEKJ-SNVBAGLBSA-N 1 2 213.281 0.551 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1nccn2cnnc12 ZINC000270885497 385755443 /nfs/dbraw/zinc/75/54/43/385755443.db2.gz BKMXWOGXJMLJGL-UHFFFAOYSA-N 1 2 243.274 0.494 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305828123 385756902 /nfs/dbraw/zinc/75/69/02/385756902.db2.gz UDFACDYNBJWFEK-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305828123 385756906 /nfs/dbraw/zinc/75/69/06/385756906.db2.gz UDFACDYNBJWFEK-NXEZZACHSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305828127 385757878 /nfs/dbraw/zinc/75/78/78/385757878.db2.gz UDFACDYNBJWFEK-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305828127 385757884 /nfs/dbraw/zinc/75/78/84/385757884.db2.gz UDFACDYNBJWFEK-VHSXEESVSA-N 1 2 239.323 0.457 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccnn2C)[C@@H](C)C1 ZINC000270985535 385767021 /nfs/dbraw/zinc/76/70/21/385767021.db2.gz SOXFFWCAHWCWAK-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccnn2C)[C@@H](C)C1 ZINC000270985535 385767027 /nfs/dbraw/zinc/76/70/27/385767027.db2.gz SOXFFWCAHWCWAK-JTQLQIEISA-N 1 2 236.319 0.473 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000259992223 385787593 /nfs/dbraw/zinc/78/75/93/385787593.db2.gz LHTHSIVWZUDACA-VIFPVBQESA-N 1 2 223.276 0.713 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000259992223 385787597 /nfs/dbraw/zinc/78/75/97/385787597.db2.gz LHTHSIVWZUDACA-VIFPVBQESA-N 1 2 223.276 0.713 20 0 BCADLO CO[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000309662550 385774588 /nfs/dbraw/zinc/77/45/88/385774588.db2.gz RWOCBCLNUUOOLC-ZETCQYMHSA-N 1 2 225.296 0.693 20 0 BCADLO CO[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000309662550 385774594 /nfs/dbraw/zinc/77/45/94/385774594.db2.gz RWOCBCLNUUOOLC-ZETCQYMHSA-N 1 2 225.296 0.693 20 0 BCADLO COCc1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000271034536 385774783 /nfs/dbraw/zinc/77/47/83/385774783.db2.gz FGRDEVTWKRBRIE-UHFFFAOYSA-N 1 2 212.249 0.343 20 0 BCADLO COCc1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000271034536 385774791 /nfs/dbraw/zinc/77/47/91/385774791.db2.gz FGRDEVTWKRBRIE-UHFFFAOYSA-N 1 2 212.249 0.343 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCc1ccnn1C)C1CC1 ZINC000231030171 385776303 /nfs/dbraw/zinc/77/63/03/385776303.db2.gz UNTQIBIKTHZNGV-NSHDSACASA-N 1 2 237.303 0.504 20 0 BCADLO CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000293971290 385777492 /nfs/dbraw/zinc/77/74/92/385777492.db2.gz MCSAEURTMAUGSK-JTQLQIEISA-N 1 2 239.319 0.582 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCO)CC(F)F ZINC000282677612 385778479 /nfs/dbraw/zinc/77/84/79/385778479.db2.gz CUTRFSZRNIYTLX-OWOJBTEDSA-N 1 2 245.229 0.509 20 0 BCADLO CN(CCO)c1cc(N2CCCC2)nc[nH+]1 ZINC000259011147 385782926 /nfs/dbraw/zinc/78/29/26/385782926.db2.gz RFUSMLVVLXCJBO-UHFFFAOYSA-N 1 2 222.292 0.505 20 0 BCADLO CN(CCO)c1cc(N2CCCC2)[nH+]cn1 ZINC000259011147 385782930 /nfs/dbraw/zinc/78/29/30/385782930.db2.gz RFUSMLVVLXCJBO-UHFFFAOYSA-N 1 2 222.292 0.505 20 0 BCADLO CN(CC(=O)NCC1CC1)Cc1[nH+]ccn1C ZINC000270570011 385719371 /nfs/dbraw/zinc/71/93/71/385719371.db2.gz YMKIBDUVCLFHLL-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000186817370 385798856 /nfs/dbraw/zinc/79/88/56/385798856.db2.gz UUUUEBOWHXZWTP-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000186817370 385798859 /nfs/dbraw/zinc/79/88/59/385798859.db2.gz UUUUEBOWHXZWTP-RKDXNWHRSA-N 1 2 224.308 0.570 20 0 BCADLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCNC1=O ZINC000408385251 385799986 /nfs/dbraw/zinc/79/99/86/385799986.db2.gz JOQZOSUAEPBSSA-SSDOTTSWSA-N 1 2 249.299 0.344 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC(F)F ZINC000283084286 385808051 /nfs/dbraw/zinc/80/80/51/385808051.db2.gz LDRQGFSFDFYKBB-OWOJBTEDSA-N 1 2 245.229 0.821 20 0 BCADLO CN(c1[nH+]cnc2c1cnn2C)C1CC(O)C1 ZINC000337860595 385809267 /nfs/dbraw/zinc/80/92/67/385809267.db2.gz IUWNBFSTTNYOBK-UHFFFAOYSA-N 1 2 233.275 0.323 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCO1 ZINC000283148325 385809922 /nfs/dbraw/zinc/80/99/22/385809922.db2.gz OIRKFIVUPDIAFI-ONEGZZNKSA-N 1 2 207.233 0.977 20 0 BCADLO Cn1cc([C@@H](CO)[NH2+]Cc2ccco2)cn1 ZINC000336715074 385811465 /nfs/dbraw/zinc/81/14/65/385811465.db2.gz VFMBYOUPEGFNHG-LLVKDONJSA-N 1 2 221.260 0.836 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1CC(F)C1 ZINC000337882358 385816595 /nfs/dbraw/zinc/81/65/95/385816595.db2.gz VPUHAYKLXLMBCX-UHFFFAOYSA-N 1 2 207.212 0.521 20 0 BCADLO CC[C@H](COC)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336740689 385819923 /nfs/dbraw/zinc/81/99/23/385819923.db2.gz USSIKZPMSHOJBI-RKDXNWHRSA-N 1 2 212.297 0.891 20 0 BCADLO CCN(C#N)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602755502 385821455 /nfs/dbraw/zinc/82/14/55/385821455.db2.gz HDSNPVICHGJKQY-PHIMTYICSA-N 1 2 211.309 0.899 20 0 BCADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602755502 385821462 /nfs/dbraw/zinc/82/14/62/385821462.db2.gz HDSNPVICHGJKQY-PHIMTYICSA-N 1 2 211.309 0.899 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186990505 385823155 /nfs/dbraw/zinc/82/31/55/385823155.db2.gz YMCBRCWLDWGFLW-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186990505 385823157 /nfs/dbraw/zinc/82/31/57/385823157.db2.gz YMCBRCWLDWGFLW-SECBINFHSA-N 1 2 228.292 0.102 20 0 BCADLO CCn1cc[nH+]c1CN1CCN(C)C(=O)[C@@H]1C ZINC000186987485 385823487 /nfs/dbraw/zinc/82/34/87/385823487.db2.gz PJJIVEBFJRATSG-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO C[N@H+](CCc1ccncc1)Cc1cnn[nH]1 ZINC000283628732 385824144 /nfs/dbraw/zinc/82/41/44/385824144.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1cnn[nH]1 ZINC000283628732 385824149 /nfs/dbraw/zinc/82/41/49/385824149.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@H+](CCc1ccncc1)Cc1c[nH]nn1 ZINC000283628732 385824155 /nfs/dbraw/zinc/82/41/55/385824155.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1c[nH]nn1 ZINC000283628732 385824162 /nfs/dbraw/zinc/82/41/62/385824162.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@H+](CCc1ccncc1)Cc1cn[nH]n1 ZINC000283628732 385824168 /nfs/dbraw/zinc/82/41/68/385824168.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO C[N@@H+](CCc1ccncc1)Cc1cn[nH]n1 ZINC000283628732 385824174 /nfs/dbraw/zinc/82/41/74/385824174.db2.gz BEAPITFVTUTXMJ-UHFFFAOYSA-N 1 2 217.276 0.874 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000231851379 385824862 /nfs/dbraw/zinc/82/48/62/385824862.db2.gz ZCYATELANHRLQG-VIFPVBQESA-N 1 2 224.308 0.377 20 0 BCADLO Cc1[nH]c(C(=O)NCCOC(=O)C2CC2)c[nH+]1 ZINC000283742768 385830838 /nfs/dbraw/zinc/83/08/38/385830838.db2.gz PEVYGQTZEXMZCL-UHFFFAOYSA-N 1 2 237.259 0.401 20 0 BCADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC000283791380 385833419 /nfs/dbraw/zinc/83/34/19/385833419.db2.gz UBHZJKYZRSMOCB-MNOVXSKESA-N 1 2 246.314 0.526 20 0 BCADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC000283791380 385833422 /nfs/dbraw/zinc/83/34/22/385833422.db2.gz UBHZJKYZRSMOCB-MNOVXSKESA-N 1 2 246.314 0.526 20 0 BCADLO O=S(=O)(CC1CCC1)NCCn1cc[nH+]c1 ZINC000271501359 385834605 /nfs/dbraw/zinc/83/46/05/385834605.db2.gz XHDUXZRXDYAMBB-UHFFFAOYSA-N 1 2 243.332 0.603 20 0 BCADLO CC[C@](C)([NH2+]Cc1nnc(C)s1)C(N)=O ZINC000336725303 385838013 /nfs/dbraw/zinc/83/80/13/385838013.db2.gz GDDBFIQSUJBTJR-VIFPVBQESA-N 1 2 228.321 0.590 20 0 BCADLO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000283971524 385842287 /nfs/dbraw/zinc/84/22/87/385842287.db2.gz LFCGZDLCBRKRJJ-QWRGUYRKSA-N 1 2 241.335 0.657 20 0 BCADLO C[NH+](C)C1CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000271670633 385843644 /nfs/dbraw/zinc/84/36/44/385843644.db2.gz ATECAFWPXGVCGV-UHFFFAOYSA-N 1 2 244.298 0.949 20 0 BCADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000294388464 385844806 /nfs/dbraw/zinc/84/48/06/385844806.db2.gz VDXFQMWKWRSSPO-XCBNKYQSSA-N 1 2 239.275 0.058 20 0 BCADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000294388464 385844807 /nfs/dbraw/zinc/84/48/07/385844807.db2.gz VDXFQMWKWRSSPO-XCBNKYQSSA-N 1 2 239.275 0.058 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H](C)CO)nc[nH+]1 ZINC000294417880 385848830 /nfs/dbraw/zinc/84/88/30/385848830.db2.gz OIBDLXKODNHCBM-HTQZYQBOSA-N 1 2 226.280 0.062 20 0 BCADLO C[C@@H](O)CNc1cc(N[C@H](C)CO)[nH+]cn1 ZINC000294417880 385848836 /nfs/dbraw/zinc/84/88/36/385848836.db2.gz OIBDLXKODNHCBM-HTQZYQBOSA-N 1 2 226.280 0.062 20 0 BCADLO Cn1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000271146196 385791919 /nfs/dbraw/zinc/79/19/19/385791919.db2.gz AGWAJUPIDXZAIG-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cn1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000271146196 385791923 /nfs/dbraw/zinc/79/19/23/385791923.db2.gz AGWAJUPIDXZAIG-LBPRGKRZSA-N 1 2 246.318 0.849 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000271146534 385793068 /nfs/dbraw/zinc/79/30/68/385793068.db2.gz RVCIMAIJKMMMBQ-VIFPVBQESA-N 1 2 248.286 0.742 20 0 BCADLO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CO)C2)n1 ZINC000271171384 385796849 /nfs/dbraw/zinc/79/68/49/385796849.db2.gz JCSQWKNGABNNQQ-SNVBAGLBSA-N 1 2 238.287 0.289 20 0 BCADLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](CO)C2)n1 ZINC000271171384 385796857 /nfs/dbraw/zinc/79/68/57/385796857.db2.gz JCSQWKNGABNNQQ-SNVBAGLBSA-N 1 2 238.287 0.289 20 0 BCADLO CC(C)[C@@H](O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000285075492 385896988 /nfs/dbraw/zinc/89/69/88/385896988.db2.gz MWIDSWXQSATSAF-SNVBAGLBSA-N 1 2 225.292 0.395 20 0 BCADLO COc1nccnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000294832223 385902347 /nfs/dbraw/zinc/90/23/47/385902347.db2.gz NLTXJWNBVQBQJR-SECBINFHSA-N 1 2 223.276 0.706 20 0 BCADLO COc1nccnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000294832223 385902350 /nfs/dbraw/zinc/90/23/50/385902350.db2.gz NLTXJWNBVQBQJR-SECBINFHSA-N 1 2 223.276 0.706 20 0 BCADLO Cc1nc(NC[C@@H](C)CCO)nc(N)[nH+]1 ZINC000308880232 385902640 /nfs/dbraw/zinc/90/26/40/385902640.db2.gz OOVWTKGMISCZDK-LURJTMIESA-N 1 2 211.269 0.193 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](C)CCO)[nH+]1 ZINC000308880232 385902645 /nfs/dbraw/zinc/90/26/45/385902645.db2.gz OOVWTKGMISCZDK-LURJTMIESA-N 1 2 211.269 0.193 20 0 BCADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000408392141 385903620 /nfs/dbraw/zinc/90/36/20/385903620.db2.gz FCJFWQDEKXTZDF-SECBINFHSA-N 1 2 238.335 0.916 20 0 BCADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](CO)C2)[nH]1 ZINC000408392141 385903626 /nfs/dbraw/zinc/90/36/26/385903626.db2.gz FCJFWQDEKXTZDF-SECBINFHSA-N 1 2 238.335 0.916 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000366640582 385903812 /nfs/dbraw/zinc/90/38/12/385903812.db2.gz LCFJWMLBXUGNRD-MRVPVSSYSA-N 1 2 225.317 0.803 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000366640582 385903815 /nfs/dbraw/zinc/90/38/15/385903815.db2.gz LCFJWMLBXUGNRD-MRVPVSSYSA-N 1 2 225.317 0.803 20 0 BCADLO COC(=O)[C@]1(C)C[N@H+](Cc2c[nH]nn2)C[C@H]1C ZINC000294879689 385907427 /nfs/dbraw/zinc/90/74/27/385907427.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@]1(C)C[N@@H+](Cc2c[nH]nn2)C[C@H]1C ZINC000294879689 385907432 /nfs/dbraw/zinc/90/74/32/385907432.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@]1(C)C[N@H+](Cc2cnn[nH]2)C[C@H]1C ZINC000294879689 385907435 /nfs/dbraw/zinc/90/74/35/385907435.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@]1(C)C[N@@H+](Cc2cnn[nH]2)C[C@H]1C ZINC000294879689 385907439 /nfs/dbraw/zinc/90/74/39/385907439.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@]1(C)C[N@H+](Cc2cn[nH]n2)C[C@H]1C ZINC000294879689 385907442 /nfs/dbraw/zinc/90/74/42/385907442.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO COC(=O)[C@]1(C)C[N@@H+](Cc2cn[nH]n2)C[C@H]1C ZINC000294879689 385907445 /nfs/dbraw/zinc/90/74/45/385907445.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 1 2 238.291 0.436 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)c1cnn(C)n1 ZINC000285263721 385910375 /nfs/dbraw/zinc/91/03/75/385910375.db2.gz MGTVUFZHZJRTFW-UHFFFAOYSA-N 1 2 248.290 0.174 20 0 BCADLO CN1C(=O)CC[C@H]([NH2+]Cc2cscn2)C1=O ZINC000084406640 385912645 /nfs/dbraw/zinc/91/26/45/385912645.db2.gz QPTOGJHLRPZJSZ-QMMMGPOBSA-N 1 2 239.300 0.380 20 0 BCADLO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C1(C)C ZINC000331771407 385919180 /nfs/dbraw/zinc/91/91/80/385919180.db2.gz LSGWIOKDADOMLC-FTLITQJKSA-N 1 2 240.307 0.659 20 0 BCADLO C[C@@H](CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284358229 385863423 /nfs/dbraw/zinc/86/34/23/385863423.db2.gz KNCDNWOYNJDOAU-SGJFDWMWSA-N 1 2 209.249 0.310 20 0 BCADLO CC(=O)N1CC[NH+](CCc2cscn2)CC1 ZINC000284345110 385864147 /nfs/dbraw/zinc/86/41/47/385864147.db2.gz RMXMPZMGDGJUPH-UHFFFAOYSA-N 1 2 239.344 0.850 20 0 BCADLO Cc1nc(N2CCC(C(N)=O)CC2)cc[nH+]1 ZINC000408234554 385864318 /nfs/dbraw/zinc/86/43/18/385864318.db2.gz FPRLMAJWFZBTER-UHFFFAOYSA-N 1 2 220.276 0.487 20 0 BCADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000284436397 385867825 /nfs/dbraw/zinc/86/78/25/385867825.db2.gz PRNNEIVGJYHUTH-UEVFTQGLSA-N 1 2 235.287 0.652 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCn1cc[nH+]c1 ZINC000272038297 385870070 /nfs/dbraw/zinc/87/00/70/385870070.db2.gz XQXHJXQMTSNCBX-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO COC(=O)C(C)(C)NCCCn1cc[nH+]c1 ZINC000272038297 385870073 /nfs/dbraw/zinc/87/00/73/385870073.db2.gz XQXHJXQMTSNCBX-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCCn1ccnc1 ZINC000272038297 385870076 /nfs/dbraw/zinc/87/00/76/385870076.db2.gz XQXHJXQMTSNCBX-UHFFFAOYSA-N 1 2 225.292 0.814 20 0 BCADLO CCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000121939660 385873608 /nfs/dbraw/zinc/87/36/08/385873608.db2.gz JMWHHONRTWLRML-VIFPVBQESA-N 1 2 210.281 0.933 20 0 BCADLO CO[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000294684434 385883191 /nfs/dbraw/zinc/88/31/91/385883191.db2.gz UEOCPHXYGKNCMH-SNVBAGLBSA-N 1 2 237.303 0.884 20 0 BCADLO C[N@@H+](Cc1cnn[nH]1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977158 /nfs/dbraw/zinc/97/71/58/385977158.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1cnn[nH]1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977163 /nfs/dbraw/zinc/97/71/63/385977163.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@@H+](Cc1c[nH]nn1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977167 /nfs/dbraw/zinc/97/71/67/385977167.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1c[nH]nn1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977172 /nfs/dbraw/zinc/97/71/72/385977172.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@@H+](Cc1cn[nH]n1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977179 /nfs/dbraw/zinc/97/71/79/385977179.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO C[N@H+](Cc1cn[nH]n1)C[C@H](O)Cc1ccccc1 ZINC000295149643 385977181 /nfs/dbraw/zinc/97/71/81/385977181.db2.gz BIRZBEZEYKUOOD-CYBMUJFWSA-N 1 2 246.314 0.840 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC000336769426 385979562 /nfs/dbraw/zinc/97/95/62/385979562.db2.gz RWRQJOAQOAIMFB-SNVBAGLBSA-N 1 2 227.304 0.833 20 0 BCADLO CN(C)c1n[nH]c(NC(=O)CCn2cc[nH+]c2)n1 ZINC000285967210 385984764 /nfs/dbraw/zinc/98/47/64/385984764.db2.gz JVXJXUMPDCXOHF-UHFFFAOYSA-N 1 2 249.278 0.096 20 0 BCADLO COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000286057025 385991754 /nfs/dbraw/zinc/99/17/54/385991754.db2.gz RIIXIRZLEZYSIR-YUMQZZPRSA-N 1 2 237.259 0.225 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000342121996 385931652 /nfs/dbraw/zinc/93/16/52/385931652.db2.gz GMTKVHPPNHMJGN-NSHDSACASA-N 1 2 246.318 0.860 20 0 BCADLO Cc1cnn(CC[N@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000342121996 385931656 /nfs/dbraw/zinc/93/16/56/385931656.db2.gz GMTKVHPPNHMJGN-NSHDSACASA-N 1 2 246.318 0.860 20 0 BCADLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)nc1 ZINC000338263398 385936143 /nfs/dbraw/zinc/93/61/43/385936143.db2.gz LBGAUAIRTXGIPS-LLVKDONJSA-N 1 2 235.287 0.540 20 0 BCADLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)nc1 ZINC000338263398 385936151 /nfs/dbraw/zinc/93/61/51/385936151.db2.gz LBGAUAIRTXGIPS-LLVKDONJSA-N 1 2 235.287 0.540 20 0 BCADLO CC(C)(C(=O)NCCF)[NH+]1CCOCC1 ZINC000338273676 385938838 /nfs/dbraw/zinc/93/88/38/385938838.db2.gz YAFNNNOLNGQBHV-UHFFFAOYSA-N 1 2 218.272 0.183 20 0 BCADLO C[C@H](O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000425417218 385993429 /nfs/dbraw/zinc/99/34/29/385993429.db2.gz JTTRZBAQZMMYBZ-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO C[C@H](O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000425417218 385993431 /nfs/dbraw/zinc/99/34/31/385993431.db2.gz JTTRZBAQZMMYBZ-IGJMFERPSA-N 1 2 205.323 0.210 20 0 BCADLO O=C(C[N@@H+]1CCC[C@H]1c1cc[nH]n1)N1CCC1 ZINC000285583151 385944055 /nfs/dbraw/zinc/94/40/55/385944055.db2.gz BBEXZIRVSSYYCT-NSHDSACASA-N 1 2 234.303 0.779 20 0 BCADLO O=C(C[N@H+]1CCC[C@H]1c1cc[nH]n1)N1CCC1 ZINC000285583151 385944061 /nfs/dbraw/zinc/94/40/61/385944061.db2.gz BBEXZIRVSSYYCT-NSHDSACASA-N 1 2 234.303 0.779 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cscn1 ZINC000295023224 385944929 /nfs/dbraw/zinc/94/49/29/385944929.db2.gz MIUWQCMZRPAYJX-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cscn1 ZINC000295023224 385944932 /nfs/dbraw/zinc/94/49/32/385944932.db2.gz MIUWQCMZRPAYJX-JTQLQIEISA-N 1 2 239.344 0.896 20 0 BCADLO C[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338280601 385946651 /nfs/dbraw/zinc/94/66/51/385946651.db2.gz HSLWQSSQDUXFNZ-SCZZXKLOSA-N 1 2 213.277 0.047 20 0 BCADLO C[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338280601 385946656 /nfs/dbraw/zinc/94/66/56/385946656.db2.gz HSLWQSSQDUXFNZ-SCZZXKLOSA-N 1 2 213.277 0.047 20 0 BCADLO O=C(C1CC1)[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000338293514 385955187 /nfs/dbraw/zinc/95/51/87/385955187.db2.gz IEUMLXUGIQZXHW-GFCCVEGCSA-N 1 2 249.314 0.563 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC1(C)C ZINC000121372678 385957402 /nfs/dbraw/zinc/95/74/02/385957402.db2.gz IOKWIXHCTFVRMT-LLVKDONJSA-N 1 2 240.347 0.823 20 0 BCADLO Cc1cn[nH]c1C[NH2+]Cc1ccn(C)n1 ZINC000336742283 385961030 /nfs/dbraw/zinc/96/10/30/385961030.db2.gz WRQDODIKQZWZQP-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO Cc1c[nH]nc1C[NH2+]Cc1ccn(C)n1 ZINC000336742283 385961034 /nfs/dbraw/zinc/96/10/34/385961034.db2.gz WRQDODIKQZWZQP-UHFFFAOYSA-N 1 2 205.265 0.741 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1c(F)cncc1F ZINC000285742805 385961164 /nfs/dbraw/zinc/96/11/64/385961164.db2.gz QLXHITZVOXGQDE-HZGVNTEJSA-N 1 2 241.241 0.899 20 0 BCADLO CO[C@@H](C[NH+]1CCS(=O)CC1)C1CC1 ZINC000425401169 385964130 /nfs/dbraw/zinc/96/41/30/385964130.db2.gz GPMBZWUYNLBHFH-JTQLQIEISA-N 1 2 217.334 0.476 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](C)C[S@](C)=O)c[nH+]1 ZINC000273115563 385968087 /nfs/dbraw/zinc/96/80/87/385968087.db2.gz FFJGPPFBMUKILY-BAHMLBHCSA-N 1 2 229.305 0.215 20 0 BCADLO C[C@H]([NH2+]CC(F)(F)CO)C(C)(C)n1cncn1 ZINC000340495202 385974245 /nfs/dbraw/zinc/97/42/45/385974245.db2.gz UYFOOJSMANVHNB-QMMMGPOBSA-N 1 2 248.277 0.619 20 0 BCADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)o1 ZINC000295134364 385974542 /nfs/dbraw/zinc/97/45/42/385974542.db2.gz YXHMIGCMCRLEKP-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)o1 ZINC000295134364 385974546 /nfs/dbraw/zinc/97/45/46/385974546.db2.gz YXHMIGCMCRLEKP-MRVPVSSYSA-N 1 2 208.261 0.908 20 0 BCADLO CCCCCNC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340222251 385999850 /nfs/dbraw/zinc/99/98/50/385999850.db2.gz LGRCZYWHGPLVGH-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCCNC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222251 385999857 /nfs/dbraw/zinc/99/98/57/385999857.db2.gz LGRCZYWHGPLVGH-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000189438921 386001287 /nfs/dbraw/zinc/00/12/87/386001287.db2.gz FKQNCSHDKQDWEO-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000189438921 386001293 /nfs/dbraw/zinc/00/12/93/386001293.db2.gz FKQNCSHDKQDWEO-CMPLNLGQSA-N 1 2 239.319 0.656 20 0 BCADLO COC[C@@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000295274158 386002179 /nfs/dbraw/zinc/00/21/79/386002179.db2.gz HXHRTOQVHKOHDS-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO COC[C@@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000295274158 386002183 /nfs/dbraw/zinc/00/21/83/386002183.db2.gz HXHRTOQVHKOHDS-NSHDSACASA-N 1 2 226.276 0.830 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)CN1C ZINC000335066971 386007188 /nfs/dbraw/zinc/00/71/88/386007188.db2.gz QXBYPTLTUWVAFB-GHMZBOCLSA-N 1 2 239.363 0.632 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)CN1C ZINC000335066971 386007194 /nfs/dbraw/zinc/00/71/94/386007194.db2.gz QXBYPTLTUWVAFB-GHMZBOCLSA-N 1 2 239.363 0.632 20 0 BCADLO O=C(COc1cccnc1)NCCc1[nH]cc[nH+]1 ZINC000345171564 386039821 /nfs/dbraw/zinc/03/98/21/386039821.db2.gz SFTZZENLURHGEW-UHFFFAOYSA-N 1 2 246.270 0.542 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC000334439095 386048264 /nfs/dbraw/zinc/04/82/64/386048264.db2.gz UMTAJQHJSQPMJJ-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC000334439095 386048269 /nfs/dbraw/zinc/04/82/69/386048269.db2.gz UMTAJQHJSQPMJJ-QWRGUYRKSA-N 1 2 238.331 0.718 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189688951 386057612 /nfs/dbraw/zinc/05/76/12/386057612.db2.gz ISNPPXHSWPUQKZ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](OCCOC)C1 ZINC000189688951 386057615 /nfs/dbraw/zinc/05/76/15/386057615.db2.gz ISNPPXHSWPUQKZ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nc1=O ZINC000334433834 386055299 /nfs/dbraw/zinc/05/52/99/386055299.db2.gz DLSFAHRCUSRBKN-SNVBAGLBSA-N 1 2 247.302 0.774 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nc1=O ZINC000334433834 386055307 /nfs/dbraw/zinc/05/53/07/386055307.db2.gz DLSFAHRCUSRBKN-SNVBAGLBSA-N 1 2 247.302 0.774 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000345315747 386102530 /nfs/dbraw/zinc/10/25/30/386102530.db2.gz LTQJAABLJPQLNF-NEPJUHHUSA-N 1 2 240.347 0.871 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]1C(F)F ZINC000345826406 386114338 /nfs/dbraw/zinc/11/43/38/386114338.db2.gz SUNUGLYOUHFVNR-NKWVEPMBSA-N 1 2 215.203 0.653 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C(F)F ZINC000345826407 386114620 /nfs/dbraw/zinc/11/46/20/386114620.db2.gz SUNUGLYOUHFVNR-RNFRBKRXSA-N 1 2 215.203 0.653 20 0 BCADLO CO[C@@H](C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000287377114 386116013 /nfs/dbraw/zinc/11/60/13/386116013.db2.gz JFSAXRLNXQDUQR-VIFPVBQESA-N 1 2 240.307 0.596 20 0 BCADLO CC[C@H](O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345833311 386119428 /nfs/dbraw/zinc/11/94/28/386119428.db2.gz YTZYZYAZSGYCHD-JGVFFNPUSA-N 1 2 236.262 0.261 20 0 BCADLO CC[C@@H](O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345833310 386120074 /nfs/dbraw/zinc/12/00/74/386120074.db2.gz YTZYZYAZSGYCHD-HTQZYQBOSA-N 1 2 236.262 0.261 20 0 BCADLO COC(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000224033260 386121183 /nfs/dbraw/zinc/12/11/83/386121183.db2.gz UWJYLFDWJZLYNF-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189688971 386060399 /nfs/dbraw/zinc/06/03/99/386060399.db2.gz ISNPPXHSWPUQKZ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](OCCOC)C1 ZINC000189688971 386060405 /nfs/dbraw/zinc/06/04/05/386060405.db2.gz ISNPPXHSWPUQKZ-QWRGUYRKSA-N 1 2 245.319 0.675 20 0 BCADLO C[NH2+]Cc1noc(-c2cc(C)cc(=O)[nH]2)n1 ZINC000414648052 386061938 /nfs/dbraw/zinc/06/19/38/386061938.db2.gz UYKOKCZESKRUOE-UHFFFAOYSA-N 1 2 220.232 0.865 20 0 BCADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338591665 386065796 /nfs/dbraw/zinc/06/57/96/386065796.db2.gz JMOUDMGKPXCEDP-RKDXNWHRSA-N 1 2 242.319 0.585 20 0 BCADLO C[C@](O)(C[N@@H+]1CC[C@@](F)(CO)C1)C(F)(F)F ZINC000338593313 386065981 /nfs/dbraw/zinc/06/59/81/386065981.db2.gz JCZHGOMWRRYZQV-YUMQZZPRSA-N 1 2 245.216 0.706 20 0 BCADLO C[C@](O)(C[N@H+]1CC[C@@](F)(CO)C1)C(F)(F)F ZINC000338593313 386065986 /nfs/dbraw/zinc/06/59/86/386065986.db2.gz JCZHGOMWRRYZQV-YUMQZZPRSA-N 1 2 245.216 0.706 20 0 BCADLO Cn1c[nH+]cc1CN1CCC[C@@](F)(CO)C1 ZINC000286700056 386067225 /nfs/dbraw/zinc/06/72/25/386067225.db2.gz BFNVPZODTSDNAU-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cncc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286700056 386067229 /nfs/dbraw/zinc/06/72/29/386067229.db2.gz BFNVPZODTSDNAU-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO Cn1cncc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286700056 386067232 /nfs/dbraw/zinc/06/72/32/386067232.db2.gz BFNVPZODTSDNAU-NSHDSACASA-N 1 2 227.283 0.717 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590086 386067717 /nfs/dbraw/zinc/06/77/17/386067717.db2.gz RMUHYRYCEQEPAS-ZYHUDNBSSA-N 1 2 246.326 0.650 20 0 BCADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590086 386067726 /nfs/dbraw/zinc/06/77/26/386067726.db2.gz RMUHYRYCEQEPAS-ZYHUDNBSSA-N 1 2 246.326 0.650 20 0 BCADLO C[C@H](O)CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425444739 386075644 /nfs/dbraw/zinc/07/56/44/386075644.db2.gz NZSDRFZTCQRRKU-DTWKUNHWSA-N 1 2 241.291 0.726 20 0 BCADLO C[C@H](O)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425444739 386075650 /nfs/dbraw/zinc/07/56/50/386075650.db2.gz NZSDRFZTCQRRKU-DTWKUNHWSA-N 1 2 241.291 0.726 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000338628277 386082229 /nfs/dbraw/zinc/08/22/29/386082229.db2.gz YXTYVSRIKZUTBD-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000338628277 386082236 /nfs/dbraw/zinc/08/22/36/386082236.db2.gz YXTYVSRIKZUTBD-LBPRGKRZSA-N 1 2 240.278 0.997 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286942953 386087016 /nfs/dbraw/zinc/08/70/16/386087016.db2.gz NXKJUXFDDFJDKL-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO Cn1nccc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286942953 386087021 /nfs/dbraw/zinc/08/70/21/386087021.db2.gz NXKJUXFDDFJDKL-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO C[C@@H](CO)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000355427167 386122826 /nfs/dbraw/zinc/12/28/26/386122826.db2.gz GMMGGBHDXIVTNU-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO Cn1cc[nH+]c1CN1CCC[C@](F)(CO)C1 ZINC000287029172 386092188 /nfs/dbraw/zinc/09/21/88/386092188.db2.gz SGFZNFAJWINRDK-LLVKDONJSA-N 1 2 227.283 0.717 20 0 BCADLO CC[C@H](F)C[N@H+](C)CC(=O)NCCCOC ZINC000440703478 386093468 /nfs/dbraw/zinc/09/34/68/386093468.db2.gz ICGMXDSYSBSNBV-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO CC[C@H](F)C[N@@H+](C)CC(=O)NCCCOC ZINC000440703478 386093475 /nfs/dbraw/zinc/09/34/75/386093475.db2.gz ICGMXDSYSBSNBV-JTQLQIEISA-N 1 2 234.315 0.819 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1occc1N ZINC000313136108 259680821 /nfs/dbraw/zinc/68/08/21/259680821.db2.gz GOMLORLAFJHADR-QMMMGPOBSA-N 1 2 234.259 0.877 20 0 BCADLO C[C@@H](O)[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235224542 386145680 /nfs/dbraw/zinc/14/56/80/386145680.db2.gz HPVUQLBWSPUUBV-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H](O)[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235224542 386145687 /nfs/dbraw/zinc/14/56/87/386145687.db2.gz HPVUQLBWSPUUBV-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO Cc1nc(CC[N@@H+]2CC(=O)N[C@H](C)C2)cs1 ZINC000296166223 386146438 /nfs/dbraw/zinc/14/64/38/386146438.db2.gz KSDNQTJBSGADGZ-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1nc(CC[N@H+]2CC(=O)N[C@H](C)C2)cs1 ZINC000296166223 386146444 /nfs/dbraw/zinc/14/64/44/386146444.db2.gz KSDNQTJBSGADGZ-MRVPVSSYSA-N 1 2 239.344 0.814 20 0 BCADLO Cc1ccc([C@@H](O)C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000296206831 386150678 /nfs/dbraw/zinc/15/06/78/386150678.db2.gz NCHVJUFMSOXZJL-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO Cc1ccc([C@@H](O)C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000296206831 386150681 /nfs/dbraw/zinc/15/06/81/386150681.db2.gz NCHVJUFMSOXZJL-YPMHNXCESA-N 1 2 248.326 0.849 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424892760 386159441 /nfs/dbraw/zinc/15/94/41/386159441.db2.gz LWVNGOPVWYXCQO-WYFGTUCQSA-N 1 2 242.294 0.276 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424892760 386159448 /nfs/dbraw/zinc/15/94/48/386159448.db2.gz LWVNGOPVWYXCQO-WYFGTUCQSA-N 1 2 242.294 0.276 20 0 BCADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424892759 386161264 /nfs/dbraw/zinc/16/12/64/386161264.db2.gz LWVNGOPVWYXCQO-MIZYBKAJSA-N 1 2 242.294 0.276 20 0 BCADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424892759 386161271 /nfs/dbraw/zinc/16/12/71/386161271.db2.gz LWVNGOPVWYXCQO-MIZYBKAJSA-N 1 2 242.294 0.276 20 0 BCADLO Cc1cnc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000346185852 386163226 /nfs/dbraw/zinc/16/32/26/386163226.db2.gz KXQXSUSSZQUTQD-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1cnc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000346185852 386163232 /nfs/dbraw/zinc/16/32/32/386163232.db2.gz KXQXSUSSZQUTQD-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccn2C)CCN1CCO ZINC000190243131 386164508 /nfs/dbraw/zinc/16/45/08/386164508.db2.gz ZHJMLKBCAXJEFZ-LBPRGKRZSA-N 1 2 237.347 0.524 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccn2C)CCN1CCO ZINC000190243131 386164513 /nfs/dbraw/zinc/16/45/13/386164513.db2.gz ZHJMLKBCAXJEFZ-LBPRGKRZSA-N 1 2 237.347 0.524 20 0 BCADLO COC(=O)c1coc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000353505308 386171627 /nfs/dbraw/zinc/17/16/27/386171627.db2.gz CRNXDPQJKBZHPU-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO COC(=O)c1coc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000353505308 386171632 /nfs/dbraw/zinc/17/16/32/386171632.db2.gz CRNXDPQJKBZHPU-UHFFFAOYSA-N 1 2 249.226 0.719 20 0 BCADLO CCC[N@H+](CC(N)=O)[C@@H](CC)C(=O)OCC ZINC000190348158 386173784 /nfs/dbraw/zinc/17/37/84/386173784.db2.gz OOBMWQYNSMRQPS-VIFPVBQESA-N 1 2 230.308 0.525 20 0 BCADLO CCC[N@@H+](CC(N)=O)[C@@H](CC)C(=O)OCC ZINC000190348158 386173790 /nfs/dbraw/zinc/17/37/90/386173790.db2.gz OOBMWQYNSMRQPS-VIFPVBQESA-N 1 2 230.308 0.525 20 0 BCADLO CC(C)[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288371556 386190872 /nfs/dbraw/zinc/19/08/72/386190872.db2.gz FADBUUAEXUJBBT-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO O=C(C[NH2+]Cc1cscn1)NCC(F)F ZINC000308919258 386175447 /nfs/dbraw/zinc/17/54/47/386175447.db2.gz IJEXYVZMRNSIDN-UHFFFAOYSA-N 1 2 235.259 0.614 20 0 BCADLO C[C@@H](O)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000425484023 386176085 /nfs/dbraw/zinc/17/60/85/386176085.db2.gz SFSGEWNCXPKTAR-MRVPVSSYSA-N 1 2 240.307 0.461 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425502925 386184696 /nfs/dbraw/zinc/18/46/96/386184696.db2.gz RHVUYXKTJUOXAK-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425502925 386184703 /nfs/dbraw/zinc/18/47/03/386184703.db2.gz RHVUYXKTJUOXAK-UWVGGRQHSA-N 1 2 238.291 0.477 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccoc1 ZINC000263878251 386184987 /nfs/dbraw/zinc/18/49/87/386184987.db2.gz OZRPJGWWBRCNFX-UHFFFAOYSA-N 1 2 238.287 0.684 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502926 386185044 /nfs/dbraw/zinc/18/50/44/386185044.db2.gz RHVUYXKTJUOXAK-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502926 386185047 /nfs/dbraw/zinc/18/50/47/386185047.db2.gz RHVUYXKTJUOXAK-VHSXEESVSA-N 1 2 238.291 0.477 20 0 BCADLO O=C(COCc1[nH]cc[nH+]1)N1CCCC1 ZINC000340543246 386185130 /nfs/dbraw/zinc/18/51/30/386185130.db2.gz JYTUFALVNUMECR-UHFFFAOYSA-N 1 2 209.249 0.549 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000190505513 386188245 /nfs/dbraw/zinc/18/82/45/386188245.db2.gz DSAHCIOYURTCMK-ZYHUDNBSSA-N 1 2 240.347 0.748 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190505513 386188251 /nfs/dbraw/zinc/18/82/51/386188251.db2.gz DSAHCIOYURTCMK-ZYHUDNBSSA-N 1 2 240.347 0.748 20 0 BCADLO CCc1cc(N2C[C@@H](O)C[C@H]2CO)nc(C)[nH+]1 ZINC000274603301 386125931 /nfs/dbraw/zinc/12/59/31/386125931.db2.gz FNMDSNCADBXTFH-QWRGUYRKSA-N 1 2 237.303 0.279 20 0 BCADLO CCc1nnc(C[N@H+](CCO)CCCOC)[nH]1 ZINC000189926456 386130616 /nfs/dbraw/zinc/13/06/16/386130616.db2.gz OCKADHYRGDZAKF-UHFFFAOYSA-N 1 2 242.323 0.198 20 0 BCADLO CCc1nnc(C[N@@H+](CCO)CCCOC)[nH]1 ZINC000189926456 386130621 /nfs/dbraw/zinc/13/06/21/386130621.db2.gz OCKADHYRGDZAKF-UHFFFAOYSA-N 1 2 242.323 0.198 20 0 BCADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213532 386132591 /nfs/dbraw/zinc/13/25/91/386132591.db2.gz CRXJOUNGRKLQSD-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)C1(C)CC1 ZINC000335213532 386132596 /nfs/dbraw/zinc/13/25/96/386132596.db2.gz CRXJOUNGRKLQSD-NXEZZACHSA-N 1 2 246.376 0.893 20 0 BCADLO Cn1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000296067377 386132741 /nfs/dbraw/zinc/13/27/41/386132741.db2.gz PSJSVMCTUHCFIR-UHFFFAOYSA-N 1 2 207.277 0.783 20 0 BCADLO Cn1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000296067377 386132745 /nfs/dbraw/zinc/13/27/45/386132745.db2.gz PSJSVMCTUHCFIR-UHFFFAOYSA-N 1 2 207.277 0.783 20 0 BCADLO FC1(F)COCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000335131543 386132785 /nfs/dbraw/zinc/13/27/85/386132785.db2.gz VQVCCTPGAUPORO-VIFPVBQESA-N 1 2 221.247 0.990 20 0 BCADLO FC1(F)COCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000335131543 386132791 /nfs/dbraw/zinc/13/27/91/386132791.db2.gz VQVCCTPGAUPORO-VIFPVBQESA-N 1 2 221.247 0.990 20 0 BCADLO CO[C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338766935 386133873 /nfs/dbraw/zinc/13/38/73/386133873.db2.gz LEFGMMSSUCFGCQ-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(=O)OC ZINC000338788939 386140055 /nfs/dbraw/zinc/14/00/55/386140055.db2.gz PQBCVLLRSKMTTA-QMMMGPOBSA-N 1 2 225.248 0.225 20 0 BCADLO CC[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(=O)OC ZINC000338788939 386140057 /nfs/dbraw/zinc/14/00/57/386140057.db2.gz PQBCVLLRSKMTTA-QMMMGPOBSA-N 1 2 225.248 0.225 20 0 BCADLO COc1ccncc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000287682162 386141058 /nfs/dbraw/zinc/14/10/58/386141058.db2.gz IFQBJFICWHXZQC-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO COc1ccncc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000287682162 386141064 /nfs/dbraw/zinc/14/10/64/386141064.db2.gz IFQBJFICWHXZQC-LLVKDONJSA-N 1 2 249.314 0.753 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCCCCCCO ZINC000224510798 386141426 /nfs/dbraw/zinc/14/14/26/386141426.db2.gz NYSIWGWYQURYNY-UHFFFAOYSA-N 1 2 239.319 0.942 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](C)OC2=O)c[nH+]1 ZINC000288451869 386202051 /nfs/dbraw/zinc/20/20/51/386202051.db2.gz FUNIJMGLHWRMDY-VDTYLAMSSA-N 1 2 223.232 0.152 20 0 BCADLO COC(=O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000264017856 386203046 /nfs/dbraw/zinc/20/30/46/386203046.db2.gz LCNOPAWVOYEXLE-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO COC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000264017856 386203051 /nfs/dbraw/zinc/20/30/51/386203051.db2.gz LCNOPAWVOYEXLE-LLVKDONJSA-N 1 2 223.272 0.825 20 0 BCADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnn[nH]1 ZINC000296884323 386210980 /nfs/dbraw/zinc/21/09/80/386210980.db2.gz XGSSJMHUGKGZPS-UHFFFAOYSA-N 1 2 240.307 0.968 20 0 BCADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cnn[nH]1 ZINC000296884323 386210985 /nfs/dbraw/zinc/21/09/85/386210985.db2.gz XGSSJMHUGKGZPS-UHFFFAOYSA-N 1 2 240.307 0.968 20 0 BCADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c[nH]nn1 ZINC000296884323 386210991 /nfs/dbraw/zinc/21/09/91/386210991.db2.gz XGSSJMHUGKGZPS-UHFFFAOYSA-N 1 2 240.307 0.968 20 0 BCADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c[nH]nn1 ZINC000296884323 386210994 /nfs/dbraw/zinc/21/09/94/386210994.db2.gz XGSSJMHUGKGZPS-UHFFFAOYSA-N 1 2 240.307 0.968 20 0 BCADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000347063114 386211879 /nfs/dbraw/zinc/21/18/79/386211879.db2.gz WPAOVAKZMPJKIL-IUCAKERBSA-N 1 2 210.281 0.597 20 0 BCADLO CO[C@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000347063114 386211885 /nfs/dbraw/zinc/21/18/85/386211885.db2.gz WPAOVAKZMPJKIL-IUCAKERBSA-N 1 2 210.281 0.597 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cnn[nH]1 ZINC000340289287 386216533 /nfs/dbraw/zinc/21/65/33/386216533.db2.gz FEIVDDAQNMICFY-SCZZXKLOSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cnn[nH]1 ZINC000340289287 386216537 /nfs/dbraw/zinc/21/65/37/386216537.db2.gz FEIVDDAQNMICFY-SCZZXKLOSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC000340289287 386216542 /nfs/dbraw/zinc/21/65/42/386216542.db2.gz FEIVDDAQNMICFY-SCZZXKLOSA-N 1 2 210.281 0.540 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000288570335 386217803 /nfs/dbraw/zinc/21/78/03/386217803.db2.gz NPUWJSBUFOYLOR-NXEZZACHSA-N 1 2 237.303 0.762 20 0 BCADLO Cc1nc(N2CCC3(C2)CCOCC3)nc(N)[nH+]1 ZINC000310656957 386219285 /nfs/dbraw/zinc/21/92/85/386219285.db2.gz CDJDEYYGTDAXJK-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO Cc1nc(N)nc(N2CCC3(C2)CCOCC3)[nH+]1 ZINC000310656957 386219290 /nfs/dbraw/zinc/21/92/90/386219290.db2.gz CDJDEYYGTDAXJK-UHFFFAOYSA-N 1 2 249.318 0.769 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CCCCO1 ZINC000276003865 386260139 /nfs/dbraw/zinc/26/01/39/386260139.db2.gz PCMGMYBGRJWABU-UHFFFAOYSA-N 1 2 209.249 0.827 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000347036572 386225191 /nfs/dbraw/zinc/22/51/91/386225191.db2.gz QYRQZNXALWHIEO-RYUDHWBXSA-N 1 2 241.379 0.927 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(C)CC1 ZINC000347036572 386225195 /nfs/dbraw/zinc/22/51/95/386225195.db2.gz QYRQZNXALWHIEO-RYUDHWBXSA-N 1 2 241.379 0.927 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCSC1 ZINC000288704034 386227030 /nfs/dbraw/zinc/22/70/30/386227030.db2.gz IIEQVTRQSCKZMK-QMMMGPOBSA-N 1 2 225.317 0.964 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068305 386227004 /nfs/dbraw/zinc/22/70/04/386227004.db2.gz KCCLTTIQROHLBV-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000452068305 386227010 /nfs/dbraw/zinc/22/70/10/386227010.db2.gz KCCLTTIQROHLBV-WCBMZHEXSA-N 1 2 236.319 0.885 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)CC(C)(C)O)c[nH+]1 ZINC000297129827 386227611 /nfs/dbraw/zinc/22/76/11/386227611.db2.gz HOCXPECBQUHVOE-ZETCQYMHSA-N 1 2 225.292 0.997 20 0 BCADLO CO[C@H](CC(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000416121930 386228418 /nfs/dbraw/zinc/22/84/18/386228418.db2.gz MCZGIWRYRJNLCO-LLVKDONJSA-N 1 2 228.336 0.822 20 0 BCADLO COc1ccncc1C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000347128204 386236609 /nfs/dbraw/zinc/23/66/09/386236609.db2.gz HRGREETWEWDZOJ-GHMZBOCLSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccncc1C[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000347128204 386236612 /nfs/dbraw/zinc/23/66/12/386236612.db2.gz HRGREETWEWDZOJ-GHMZBOCLSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccncc1C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000347128208 386236886 /nfs/dbraw/zinc/23/68/86/386236886.db2.gz HRGREETWEWDZOJ-WDEREUQCSA-N 1 2 240.278 0.995 20 0 BCADLO COc1ccncc1C[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000347128208 386236891 /nfs/dbraw/zinc/23/68/91/386236891.db2.gz HRGREETWEWDZOJ-WDEREUQCSA-N 1 2 240.278 0.995 20 0 BCADLO CCc1n[nH]cc1C(=O)NCCCn1cc[nH+]c1 ZINC000264460604 386239264 /nfs/dbraw/zinc/23/92/64/386239264.db2.gz YFKDXDPSHXJRLI-UHFFFAOYSA-N 1 2 247.302 0.989 20 0 BCADLO C[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000339092162 386244165 /nfs/dbraw/zinc/24/41/65/386244165.db2.gz VSVHJGKQOFULLU-PSASIEDQSA-N 1 2 207.277 0.877 20 0 BCADLO Cn1ncnc1C[N@H+](C)CC(C)(C)CO ZINC000336649464 386260880 /nfs/dbraw/zinc/26/08/80/386260880.db2.gz QXRGAQCTLJAJPH-UHFFFAOYSA-N 1 2 212.297 0.265 20 0 BCADLO Cn1ncnc1C[N@@H+](C)CC(C)(C)CO ZINC000336649464 386260881 /nfs/dbraw/zinc/26/08/81/386260881.db2.gz QXRGAQCTLJAJPH-UHFFFAOYSA-N 1 2 212.297 0.265 20 0 BCADLO Cc1cnc(C[N@@H+](C)CC[C@@H](C)O)nc1 ZINC000336643431 386248073 /nfs/dbraw/zinc/24/80/73/386248073.db2.gz CFQFRNULQNDVLW-SNVBAGLBSA-N 1 2 209.293 0.988 20 0 BCADLO Cc1cnc(C[N@H+](C)CC[C@@H](C)O)nc1 ZINC000336643431 386248077 /nfs/dbraw/zinc/24/80/77/386248077.db2.gz CFQFRNULQNDVLW-SNVBAGLBSA-N 1 2 209.293 0.988 20 0 BCADLO Cc1cnn(C)c1C[N@@H+](CC(N)=O)CC(C)C ZINC000288982099 386249067 /nfs/dbraw/zinc/24/90/67/386249067.db2.gz COTJGBHVBCXSEB-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO Cc1cnn(C)c1C[N@H+](CC(N)=O)CC(C)C ZINC000288982099 386249074 /nfs/dbraw/zinc/24/90/74/386249074.db2.gz COTJGBHVBCXSEB-UHFFFAOYSA-N 1 2 238.335 0.672 20 0 BCADLO Cn1c[nH+]cc1CN1CC(NC(=O)C2CCC2)C1 ZINC000297385990 386252350 /nfs/dbraw/zinc/25/23/50/386252350.db2.gz JZNWYUPMOBKVSS-UHFFFAOYSA-N 1 2 248.330 0.521 20 0 BCADLO CC[N@H+](CCOC)Cc1nnc(C)n1C ZINC000336645906 386253500 /nfs/dbraw/zinc/25/35/00/386253500.db2.gz JGZCOLGTNCZBFD-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO CC[N@@H+](CCOC)Cc1nnc(C)n1C ZINC000336645906 386253505 /nfs/dbraw/zinc/25/35/05/386253505.db2.gz JGZCOLGTNCZBFD-UHFFFAOYSA-N 1 2 212.297 0.592 20 0 BCADLO CCCC[N@H+](CC(N)=O)Cc1ccno1 ZINC000264630394 386253977 /nfs/dbraw/zinc/25/39/77/386253977.db2.gz REEXBGQQMOZMHK-UHFFFAOYSA-N 1 2 211.265 0.762 20 0 BCADLO CCCC[N@@H+](CC(N)=O)Cc1ccno1 ZINC000264630394 386253983 /nfs/dbraw/zinc/25/39/83/386253983.db2.gz REEXBGQQMOZMHK-UHFFFAOYSA-N 1 2 211.265 0.762 20 0 BCADLO CO[C@H](C)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336646860 386254014 /nfs/dbraw/zinc/25/40/14/386254014.db2.gz LFCRFTIWXSCHCP-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CO[C@H](C)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336646860 386254018 /nfs/dbraw/zinc/25/40/18/386254018.db2.gz LFCRFTIWXSCHCP-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCOC1 ZINC000263925929 386192620 /nfs/dbraw/zinc/19/26/20/386192620.db2.gz VPUPONQBEPLHDC-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c[nH+]1 ZINC000275228130 386193041 /nfs/dbraw/zinc/19/30/41/386193041.db2.gz ITRAOJZCQXVJCH-BDAKNGLRSA-N 1 2 223.276 0.607 20 0 BCADLO COC(=O)[C@@H]([NH2+]C1CCCC1)[C@@H](C)O ZINC000191017374 386198441 /nfs/dbraw/zinc/19/84/41/386198441.db2.gz RZYFILYODBHBQE-APPZFPTMSA-N 1 2 201.266 0.441 20 0 BCADLO CCC(CC)C[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000191014578 386198501 /nfs/dbraw/zinc/19/85/01/386198501.db2.gz ZYGWESXIRIMCPV-WPRPVWTQSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000639075182 386280621 /nfs/dbraw/zinc/28/06/21/386280621.db2.gz YZXWOXBVDRDHMF-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000639075182 386280625 /nfs/dbraw/zinc/28/06/25/386280625.db2.gz YZXWOXBVDRDHMF-VIFPVBQESA-N 1 2 235.287 0.450 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339166907 386281329 /nfs/dbraw/zinc/28/13/29/386281329.db2.gz GEKQWIQEUDERON-MRVPVSSYSA-N 1 2 239.275 0.030 20 0 BCADLO CCC(=O)N1CC[N@H+](CCn2cccn2)C1 ZINC000425506491 386285545 /nfs/dbraw/zinc/28/55/45/386285545.db2.gz DDBXHWOODJBRLM-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO CCC(=O)N1CC[N@@H+](CCn2cccn2)C1 ZINC000425506491 386285554 /nfs/dbraw/zinc/28/55/54/386285554.db2.gz DDBXHWOODJBRLM-UHFFFAOYSA-N 1 2 222.292 0.395 20 0 BCADLO Cc1cnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)nc1 ZINC000336664217 386287698 /nfs/dbraw/zinc/28/76/98/386287698.db2.gz ZQNGQBXYJVWBAD-MNOVXSKESA-N 1 2 221.304 0.988 20 0 BCADLO Cc1cnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)nc1 ZINC000336664217 386287701 /nfs/dbraw/zinc/28/77/01/386287701.db2.gz ZQNGQBXYJVWBAD-MNOVXSKESA-N 1 2 221.304 0.988 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425517029 386288237 /nfs/dbraw/zinc/28/82/37/386288237.db2.gz SYEILCGCPRNJSA-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425517029 386288244 /nfs/dbraw/zinc/28/82/44/386288244.db2.gz SYEILCGCPRNJSA-SECBINFHSA-N 1 2 224.264 0.088 20 0 BCADLO Fc1cncc(C[N@@H+]2CCn3ncnc3C2)c1 ZINC000347217829 386288268 /nfs/dbraw/zinc/28/82/68/386288268.db2.gz HJPJPIMXWQJBEN-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Fc1cncc(C[N@H+]2CCn3ncnc3C2)c1 ZINC000347217829 386288272 /nfs/dbraw/zinc/28/82/72/386288272.db2.gz HJPJPIMXWQJBEN-UHFFFAOYSA-N 1 2 233.250 0.828 20 0 BCADLO Cn1nnnc1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000336664214 386288363 /nfs/dbraw/zinc/28/83/63/386288363.db2.gz CVHHFUQFQDXRKG-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO Cn1nnnc1C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000336664214 386288368 /nfs/dbraw/zinc/28/83/68/386288368.db2.gz CVHHFUQFQDXRKG-MRVPVSSYSA-N 1 2 227.312 0.049 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000425514361 386289876 /nfs/dbraw/zinc/28/98/76/386289876.db2.gz QEBWJCRGPGGAJZ-SNVBAGLBSA-N 1 2 214.309 0.515 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000425514361 386289879 /nfs/dbraw/zinc/28/98/79/386289879.db2.gz QEBWJCRGPGGAJZ-SNVBAGLBSA-N 1 2 214.309 0.515 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336665740 386290431 /nfs/dbraw/zinc/29/04/31/386290431.db2.gz KKNMXFJMDGOFST-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO COC[C@@H](C)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336665740 386290439 /nfs/dbraw/zinc/29/04/39/386290439.db2.gz KKNMXFJMDGOFST-SECBINFHSA-N 1 2 212.293 0.328 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347292003 386294459 /nfs/dbraw/zinc/29/44/59/386294459.db2.gz UYAQMCHJDZAANO-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347292003 386294462 /nfs/dbraw/zinc/29/44/62/386294462.db2.gz UYAQMCHJDZAANO-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1ccc2[nH+]c(CN3C(=O)CNC3=O)cn2c1 ZINC000298050407 386295453 /nfs/dbraw/zinc/29/54/53/386295453.db2.gz XCPVHWNCTNYTMI-UHFFFAOYSA-N 1 2 244.254 0.695 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CC1CC(O)C1 ZINC000091490449 386299987 /nfs/dbraw/zinc/29/99/87/386299987.db2.gz HZZMODSFMXUALU-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CC1CC(O)C1 ZINC000091490449 386299989 /nfs/dbraw/zinc/29/99/89/386299989.db2.gz HZZMODSFMXUALU-UHFFFAOYSA-N 1 2 238.335 0.891 20 0 BCADLO Cc1nnc(C[N@H+](C)[C@H]2CCCOC2)n1C ZINC000336660714 386300201 /nfs/dbraw/zinc/30/02/01/386300201.db2.gz BBTQHWCTICRQSH-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO Cc1nnc(C[N@@H+](C)[C@H]2CCCOC2)n1C ZINC000336660714 386300207 /nfs/dbraw/zinc/30/02/07/386300207.db2.gz BBTQHWCTICRQSH-JTQLQIEISA-N 1 2 224.308 0.734 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(F)cn1 ZINC000276320929 386301825 /nfs/dbraw/zinc/30/18/25/386301825.db2.gz FIRBYMHDYCOZDS-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(F)cn1 ZINC000276320929 386301830 /nfs/dbraw/zinc/30/18/30/386301830.db2.gz FIRBYMHDYCOZDS-UHFFFAOYSA-N 1 2 237.278 0.931 20 0 BCADLO C[C@H](O)CNc1cc(NCC(C)(C)O)nc[nH+]1 ZINC000298147915 386304415 /nfs/dbraw/zinc/30/44/15/386304415.db2.gz DELZQQXPGOPUIZ-QMMMGPOBSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](O)CNc1cc(NCC(C)(C)O)[nH+]cn1 ZINC000298147915 386304419 /nfs/dbraw/zinc/30/44/19/386304419.db2.gz DELZQQXPGOPUIZ-QMMMGPOBSA-N 1 2 240.307 0.452 20 0 BCADLO O=S(=O)(CC1CC1)N1CCn2c[nH+]cc2C1 ZINC000289432744 386305566 /nfs/dbraw/zinc/30/55/66/386305566.db2.gz DAPGEUXKDSHRHL-UHFFFAOYSA-N 1 2 241.316 0.439 20 0 BCADLO CCOCCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425519279 386308671 /nfs/dbraw/zinc/30/86/71/386308671.db2.gz OKTMJPSYOBLTEQ-UHFFFAOYSA-N 1 2 214.309 0.925 20 0 BCADLO CCOCCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425519279 386308674 /nfs/dbraw/zinc/30/86/74/386308674.db2.gz OKTMJPSYOBLTEQ-UHFFFAOYSA-N 1 2 214.309 0.925 20 0 BCADLO Cc1[nH]ncc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000289467370 386309516 /nfs/dbraw/zinc/30/95/16/386309516.db2.gz DAMCLLQPIKTVTC-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO C[C@H](Nc1cccc[nH+]1)C(=O)N1CCOCC1 ZINC000091477239 386310227 /nfs/dbraw/zinc/31/02/27/386310227.db2.gz CZKTZPYEZARBDT-JTQLQIEISA-N 1 2 235.287 0.741 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)C1(O)CCCC1 ZINC000265128517 386310872 /nfs/dbraw/zinc/31/08/72/386310872.db2.gz GDKSUIRBEOUYKF-UHFFFAOYSA-N 1 2 237.303 0.684 20 0 BCADLO C[C@@H](O)CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298242534 386311131 /nfs/dbraw/zinc/31/11/31/386311131.db2.gz MAHNPBCISRRJOY-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@@H](O)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298242534 386311137 /nfs/dbraw/zinc/31/11/37/386311137.db2.gz MAHNPBCISRRJOY-BDAKNGLRSA-N 1 2 240.307 0.452 20 0 BCADLO CS(=O)(=O)CC1(Cn2cc[nH+]c2)CC1 ZINC000336669489 386313711 /nfs/dbraw/zinc/31/37/11/386313711.db2.gz DVPIKMIYQOJKCK-UHFFFAOYSA-N 1 2 214.290 0.708 20 0 BCADLO CSCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336670369 386315571 /nfs/dbraw/zinc/31/55/71/386315571.db2.gz GEEJMUMSJUYCFA-UHFFFAOYSA-N 1 2 214.334 0.656 20 0 BCADLO CSCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336670369 386315574 /nfs/dbraw/zinc/31/55/74/386315574.db2.gz GEEJMUMSJUYCFA-UHFFFAOYSA-N 1 2 214.334 0.656 20 0 BCADLO CO[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276400283 386316456 /nfs/dbraw/zinc/31/64/56/386316456.db2.gz HCTFMXAYIDGOMU-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CO[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276400283 386316464 /nfs/dbraw/zinc/31/64/64/386316464.db2.gz HCTFMXAYIDGOMU-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2csnn2)[C@@H]1C ZINC000347281850 386318429 /nfs/dbraw/zinc/31/84/29/386318429.db2.gz WGWRLOLXPXKEHY-APPZFPTMSA-N 1 2 241.316 0.922 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2csnn2)[C@@H]1C ZINC000347281850 386318433 /nfs/dbraw/zinc/31/84/33/386318433.db2.gz WGWRLOLXPXKEHY-APPZFPTMSA-N 1 2 241.316 0.922 20 0 BCADLO C[C@H](O)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265236077 386321671 /nfs/dbraw/zinc/32/16/71/386321671.db2.gz VTDIMTDWRVSVAZ-UWVGGRQHSA-N 1 2 240.307 0.342 20 0 BCADLO COc1nccnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000297501752 386261644 /nfs/dbraw/zinc/26/16/44/386261644.db2.gz WFWJWLFSBLSMIN-UHFFFAOYSA-N 1 2 237.303 0.688 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H]2CCCCNC2=O)c[nH+]1 ZINC000264736071 386267319 /nfs/dbraw/zinc/26/73/19/386267319.db2.gz QSVFWIWFESRMQW-QMMMGPOBSA-N 1 2 236.275 0.117 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@@H]1CCNC1=O)CCO2 ZINC000329910452 386271419 /nfs/dbraw/zinc/27/14/19/386271419.db2.gz NHHWUTUPQBGEON-HOSYDEDBSA-N 1 2 240.303 0.595 20 0 BCADLO C[C@@H]1OCC[C@@]12C[N@H+]([C@@H]1CCNC1=O)CCO2 ZINC000329910452 386271422 /nfs/dbraw/zinc/27/14/22/386271422.db2.gz NHHWUTUPQBGEON-HOSYDEDBSA-N 1 2 240.303 0.595 20 0 BCADLO CO[C@@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000276096994 386272610 /nfs/dbraw/zinc/27/26/10/386272610.db2.gz XCISTBFLCJQSOG-QMMMGPOBSA-N 1 2 248.290 0.691 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cnn1C ZINC000289243990 386278794 /nfs/dbraw/zinc/27/87/94/386278794.db2.gz ZYFQEOZAPFZAPQ-JTQLQIEISA-N 1 2 237.303 0.866 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)cnn1C ZINC000289243990 386278798 /nfs/dbraw/zinc/27/87/98/386278798.db2.gz ZYFQEOZAPFZAPQ-JTQLQIEISA-N 1 2 237.303 0.866 20 0 BCADLO Cc1nnc(CN(C)Cc2[nH+]ccn2C)[nH]1 ZINC000336699971 386386204 /nfs/dbraw/zinc/38/62/04/386386204.db2.gz JXNOSIQRHDGPFE-UHFFFAOYSA-N 1 2 220.280 0.479 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339289551 386342884 /nfs/dbraw/zinc/34/28/84/386342884.db2.gz LKFCQYDLSJNSNL-GMSGAONNSA-N 1 2 225.292 0.855 20 0 BCADLO COC[C@@H]1CC[N@@H+]1Cc1nnc(C)n1C ZINC000339288619 386343616 /nfs/dbraw/zinc/34/36/16/386343616.db2.gz DMVVBRXAHSMSKL-VIFPVBQESA-N 1 2 210.281 0.344 20 0 BCADLO COC[C@@H]1CC[N@H+]1Cc1nnc(C)n1C ZINC000339288619 386343621 /nfs/dbraw/zinc/34/36/21/386343621.db2.gz DMVVBRXAHSMSKL-VIFPVBQESA-N 1 2 210.281 0.344 20 0 BCADLO Cc1cnn([C@@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000289697796 386343915 /nfs/dbraw/zinc/34/39/15/386343915.db2.gz BQHPDDGUTQFHHZ-MNOVXSKESA-N 1 2 235.287 0.754 20 0 BCADLO Cc1cnn([C@@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000289697796 386343922 /nfs/dbraw/zinc/34/39/22/386343922.db2.gz BQHPDDGUTQFHHZ-MNOVXSKESA-N 1 2 235.287 0.754 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000645397032 386344128 /nfs/dbraw/zinc/34/41/28/386344128.db2.gz LJIITBCJWJPDJD-ZETCQYMHSA-N 1 2 245.286 0.891 20 0 BCADLO Cc1nc2[nH]ccc2c(N2CN(C)C(=O)[C@H]2C)[nH+]1 ZINC000645397031 386344915 /nfs/dbraw/zinc/34/49/15/386344915.db2.gz LJIITBCJWJPDJD-SSDOTTSWSA-N 1 2 245.286 0.891 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CC1CCC1)C2 ZINC000335278512 386346358 /nfs/dbraw/zinc/34/63/58/386346358.db2.gz YMRVIDNLYLLCBR-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CC1CCC1)C2 ZINC000335278512 386346363 /nfs/dbraw/zinc/34/63/63/386346363.db2.gz YMRVIDNLYLLCBR-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=C1N=NC2C[N@H+](CC3CCC3)CCN12 ZINC000335278512 386346368 /nfs/dbraw/zinc/34/63/68/386346368.db2.gz YMRVIDNLYLLCBR-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO O=C1N=NC2C[N@@H+](CC3CCC3)CCN12 ZINC000335278512 386346370 /nfs/dbraw/zinc/34/63/70/386346370.db2.gz YMRVIDNLYLLCBR-UHFFFAOYSA-N 1 2 208.265 0.599 20 0 BCADLO C[C@@H](O)C[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276577096 386347656 /nfs/dbraw/zinc/34/76/56/386347656.db2.gz LCRUFBVYCMFVBK-FCVPOFOPSA-N 1 2 237.303 0.946 20 0 BCADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000347310737 386351216 /nfs/dbraw/zinc/35/12/16/386351216.db2.gz WYKXYDSZAYESHE-TUAOUCFPSA-N 1 2 240.347 0.964 20 0 BCADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000347310737 386351219 /nfs/dbraw/zinc/35/12/19/386351219.db2.gz WYKXYDSZAYESHE-TUAOUCFPSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)CO ZINC000276604720 386351404 /nfs/dbraw/zinc/35/14/04/386351404.db2.gz OWRBWXLLPCYFHB-HUGTUPKYSA-N 1 2 223.276 0.556 20 0 BCADLO C[C@@H](CO)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276604715 386352800 /nfs/dbraw/zinc/35/28/00/386352800.db2.gz OWRBWXLLPCYFHB-DXMIZCBPSA-N 1 2 223.276 0.556 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)c2ccnnc2)C1 ZINC000276621330 386353653 /nfs/dbraw/zinc/35/36/53/386353653.db2.gz OBLBXAFNARGBBU-UHFFFAOYSA-N 1 2 220.276 0.299 20 0 BCADLO CC[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276624126 386354399 /nfs/dbraw/zinc/35/43/99/386354399.db2.gz RLICLBNADXPPCS-RTMURIBGSA-N 1 2 209.249 0.310 20 0 BCADLO CC[C@@H](COC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276630823 386357373 /nfs/dbraw/zinc/35/73/73/386357373.db2.gz SQRQXLRFVHOOPF-MOVJSRMASA-N 1 2 223.276 0.964 20 0 BCADLO CC(C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276641083 386360215 /nfs/dbraw/zinc/36/02/15/386360215.db2.gz VADJEBXPSSKRTK-ONEGZZNKSA-N 1 2 209.249 0.310 20 0 BCADLO CC[C@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276642416 386360577 /nfs/dbraw/zinc/36/05/77/386360577.db2.gz VBXZXNSEDWSUJQ-FSIBCCDJSA-N 1 2 248.286 0.160 20 0 BCADLO O=C(C[N@H+]1CCC[C@@](F)(CO)C1)NCC1CC1 ZINC000347325219 386362896 /nfs/dbraw/zinc/36/28/96/386362896.db2.gz AJLJHOLCGNCNAO-LBPRGKRZSA-N 1 2 244.310 0.309 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@](F)(CO)C1)NCC1CC1 ZINC000347325219 386362903 /nfs/dbraw/zinc/36/29/03/386362903.db2.gz AJLJHOLCGNCNAO-LBPRGKRZSA-N 1 2 244.310 0.309 20 0 BCADLO Cc1cnc(C[N@H+](C)CCOCCO)o1 ZINC000336693270 386366363 /nfs/dbraw/zinc/36/63/63/386366363.db2.gz CPXXNZPGGKWKCI-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCOCCO)o1 ZINC000336693270 386366366 /nfs/dbraw/zinc/36/63/66/386366366.db2.gz CPXXNZPGGKWKCI-UHFFFAOYSA-N 1 2 214.265 0.424 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000276807346 386377790 /nfs/dbraw/zinc/37/77/90/386377790.db2.gz NMDMZFREXGZLNV-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000276807346 386377795 /nfs/dbraw/zinc/37/77/95/386377795.db2.gz NMDMZFREXGZLNV-NSHDSACASA-N 1 2 234.303 0.606 20 0 BCADLO C[C@H](CNC(=O)[C@H]1CCOC1)Cn1cc[nH+]c1 ZINC000265843357 386378520 /nfs/dbraw/zinc/37/85/20/386378520.db2.gz SJYLOUFTSLDPQN-MNOVXSKESA-N 1 2 237.303 0.672 20 0 BCADLO CN(C)c1ccc(CN2C(=O)CNC2=O)c[nH+]1 ZINC000298767470 386381053 /nfs/dbraw/zinc/38/10/53/386381053.db2.gz MXWSGULTXYPCBA-UHFFFAOYSA-N 1 2 234.259 0.199 20 0 BCADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347394506 386383041 /nfs/dbraw/zinc/38/30/41/386383041.db2.gz WBJDXGORVYHEDC-LLVKDONJSA-N 1 2 245.298 0.656 20 0 BCADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347394506 386383046 /nfs/dbraw/zinc/38/30/46/386383046.db2.gz WBJDXGORVYHEDC-LLVKDONJSA-N 1 2 245.298 0.656 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1CCOC1)C(=O)OC ZINC000336775146 386383357 /nfs/dbraw/zinc/38/33/57/386383357.db2.gz YEWTVINUOQRFFL-ONGXEEELSA-N 1 2 231.292 0.191 20 0 BCADLO Cc1[nH]nc(C(=O)NCCn2cc[nH+]c2)c1C ZINC000265266856 386325574 /nfs/dbraw/zinc/32/55/74/386325574.db2.gz VIHUJAKAOBSPMH-UHFFFAOYSA-N 1 2 233.275 0.653 20 0 BCADLO C[C@@H]1C(=O)N(C)CN1c1nc[nH+]c(N)c1Cl ZINC000645396248 386328240 /nfs/dbraw/zinc/32/82/40/386328240.db2.gz XGFOMTIXHIKOSV-RXMQYKEDSA-N 1 2 241.682 0.337 20 0 BCADLO CCc1cc(N2CN(C)C(=O)[C@H]2C)nc(C)[nH+]1 ZINC000645396487 386331340 /nfs/dbraw/zinc/33/13/40/386331340.db2.gz FPQPBQLZIKVTHG-MRVPVSSYSA-N 1 2 234.303 0.972 20 0 BCADLO C[C@@H](O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000276490167 386332324 /nfs/dbraw/zinc/33/23/24/386332324.db2.gz HQDVSDHTBDXQKL-MRVPVSSYSA-N 1 2 219.244 0.331 20 0 BCADLO COC(=O)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000265390712 386332377 /nfs/dbraw/zinc/33/23/77/386332377.db2.gz HQNHTTLKKLHMKI-VIFPVBQESA-N 1 2 239.275 0.646 20 0 BCADLO Cn1ncc2c1nc(NC[C@H](O)C1CC1)[nH+]c2N ZINC000276490823 386332876 /nfs/dbraw/zinc/33/28/76/386332876.db2.gz PWGXLKLYERPFNI-QMMMGPOBSA-N 1 2 248.290 0.128 20 0 BCADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347336531 386333158 /nfs/dbraw/zinc/33/31/58/386333158.db2.gz VWPIFIBXSICZBM-DJQAVVSRSA-N 1 2 249.376 0.225 20 0 BCADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347336531 386333162 /nfs/dbraw/zinc/33/31/62/386333162.db2.gz VWPIFIBXSICZBM-DJQAVVSRSA-N 1 2 249.376 0.225 20 0 BCADLO C[C@@H](O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276503528 386335663 /nfs/dbraw/zinc/33/56/63/386335663.db2.gz JTRUYMJGXIRCKN-DTWKUNHWSA-N 1 2 211.265 0.016 20 0 BCADLO C[C@H](O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000276512777 386337347 /nfs/dbraw/zinc/33/73/47/386337347.db2.gz KVJMEAROAPMKGQ-DCAQKATOSA-N 1 2 237.303 0.673 20 0 BCADLO C[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276515375 386337461 /nfs/dbraw/zinc/33/74/61/386337461.db2.gz BVRCNHAUZZDPFM-SGJFDWMWSA-N 1 2 209.249 0.310 20 0 BCADLO C[C@@H](Cn1cccn1)[NH2+]Cc1ncn(C)n1 ZINC000336732313 386386227 /nfs/dbraw/zinc/38/62/27/386386227.db2.gz FRTVNVQYRBWHGT-VIFPVBQESA-N 1 2 220.280 0.190 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1cccnc1 ZINC000347487332 386437720 /nfs/dbraw/zinc/43/77/20/386437720.db2.gz AGCPJVZRINYUTQ-UHFFFAOYSA-N 1 2 246.270 0.842 20 0 BCADLO COc1ncncc1CN1CCn2c[nH+]cc2C1 ZINC000648037672 386440783 /nfs/dbraw/zinc/44/07/83/386440783.db2.gz YDCCNJNPJFYVPQ-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO O=C1N[C@@H](C2CC2)C(=O)N1CCCn1cc[nH+]c1 ZINC000277512943 386442107 /nfs/dbraw/zinc/44/21/07/386442107.db2.gz URPNOIHKFOVTLE-JTQLQIEISA-N 1 2 248.286 0.604 20 0 BCADLO CO[C@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339467428 386442677 /nfs/dbraw/zinc/44/26/77/386442677.db2.gz JGCBUPDDUXHWQT-ZJUUUORDSA-N 1 2 237.303 0.771 20 0 BCADLO C[C@@H](O)CN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000290533964 386448268 /nfs/dbraw/zinc/44/82/68/386448268.db2.gz AAIXYKXWZPFQRH-SECBINFHSA-N 1 2 237.303 0.534 20 0 BCADLO Cc1cn[nH]c1CN1CC[NH+](C2CC2)CC1 ZINC000290523719 386449855 /nfs/dbraw/zinc/44/98/55/386449855.db2.gz UVVCHSRNTUVTCE-UHFFFAOYSA-N 1 2 220.320 0.998 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276894252 386388623 /nfs/dbraw/zinc/38/86/23/386388623.db2.gz GQVVQZRRPSZVDJ-JTQLQIEISA-N 1 2 234.255 0.461 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276894252 386388624 /nfs/dbraw/zinc/38/86/24/386388624.db2.gz GQVVQZRRPSZVDJ-JTQLQIEISA-N 1 2 234.255 0.461 20 0 BCADLO CO[C@@H]1C[NH+](Cc2nccc(C)n2)C[C@H]1OC ZINC000336694651 386389704 /nfs/dbraw/zinc/38/97/04/386389704.db2.gz LVVPFTCVKPIIGV-GHMZBOCLSA-N 1 2 237.303 0.631 20 0 BCADLO Cc1ccnc(C[NH+]2CCC(CO)CC2)n1 ZINC000336703755 386390655 /nfs/dbraw/zinc/39/06/55/386390655.db2.gz OQQDRGRBSIRHGR-UHFFFAOYSA-N 1 2 221.304 0.989 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C1CC1 ZINC000266075878 386396400 /nfs/dbraw/zinc/39/64/00/386396400.db2.gz ARGNNMBNRMVYSI-MRVPVSSYSA-N 1 2 229.305 0.353 20 0 BCADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000290169214 386401673 /nfs/dbraw/zinc/40/16/73/386401673.db2.gz MQSSVXKKMIXRQO-JTQLQIEISA-N 1 2 222.292 0.940 20 0 BCADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000290169214 386401676 /nfs/dbraw/zinc/40/16/76/386401676.db2.gz MQSSVXKKMIXRQO-JTQLQIEISA-N 1 2 222.292 0.940 20 0 BCADLO CCOC1CC([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000347442619 386404404 /nfs/dbraw/zinc/40/44/04/386404404.db2.gz HVLWSBKUNOWFII-UHFFFAOYSA-N 1 2 226.280 0.510 20 0 BCADLO CCOC1CC([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000347442619 386404409 /nfs/dbraw/zinc/40/44/09/386404409.db2.gz HVLWSBKUNOWFII-UHFFFAOYSA-N 1 2 226.280 0.510 20 0 BCADLO C[C@@H](O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000336702864 386407397 /nfs/dbraw/zinc/40/73/97/386407397.db2.gz ITTWOICUARCDOI-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO C[C@@H](O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000336702864 386407401 /nfs/dbraw/zinc/40/74/01/386407401.db2.gz ITTWOICUARCDOI-YPMHNXCESA-N 1 2 248.326 0.930 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000336707680 386413321 /nfs/dbraw/zinc/41/33/21/386413321.db2.gz TTXSWINYLVYCFP-SECBINFHSA-N 1 2 225.296 0.475 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000336707680 386413327 /nfs/dbraw/zinc/41/33/27/386413327.db2.gz TTXSWINYLVYCFP-SECBINFHSA-N 1 2 225.296 0.475 20 0 BCADLO C[C@@H](CNC(=O)C(C)(C)O)Cn1cc[nH+]c1 ZINC000277150031 386413971 /nfs/dbraw/zinc/41/39/71/386413971.db2.gz QAPFDRRNQPLZPZ-VIFPVBQESA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H](CO)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299130372 386417819 /nfs/dbraw/zinc/41/78/19/386417819.db2.gz ZVTUXMIWSROWBH-UWVGGRQHSA-N 1 2 240.307 0.199 20 0 BCADLO Cc1nnc(C[N@H+](C)CCOCC2CC2)[nH]1 ZINC000336709859 386422092 /nfs/dbraw/zinc/42/20/92/386422092.db2.gz XPRZXUZTBYMBOA-UHFFFAOYSA-N 1 2 224.308 0.972 20 0 BCADLO Cc1nnc(C[N@@H+](C)CCOCC2CC2)[nH]1 ZINC000336709859 386422093 /nfs/dbraw/zinc/42/20/93/386422093.db2.gz XPRZXUZTBYMBOA-UHFFFAOYSA-N 1 2 224.308 0.972 20 0 BCADLO CCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC000299171979 386422407 /nfs/dbraw/zinc/42/24/07/386422407.db2.gz XYQQDBXZTLYLGS-UHFFFAOYSA-N 1 2 235.291 0.836 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000290340052 386423179 /nfs/dbraw/zinc/42/31/79/386423179.db2.gz DLOLBVSRJROYAQ-JTQLQIEISA-N 1 2 222.292 0.381 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000290340052 386423183 /nfs/dbraw/zinc/42/31/83/386423183.db2.gz DLOLBVSRJROYAQ-JTQLQIEISA-N 1 2 222.292 0.381 20 0 BCADLO O=C1N[C@H](C2CC2)C(=O)N1CCn1cc[nH+]c1 ZINC000277292883 386423991 /nfs/dbraw/zinc/42/39/91/386423991.db2.gz JJFOHAMMTOVTGK-SECBINFHSA-N 1 2 234.259 0.214 20 0 BCADLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2nccnc12 ZINC000290359964 386423960 /nfs/dbraw/zinc/42/39/60/386423960.db2.gz GOJFLZZJUOZBMY-UHFFFAOYSA-N 1 2 248.286 0.953 20 0 BCADLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2nccnc12 ZINC000290359964 386423964 /nfs/dbraw/zinc/42/39/64/386423964.db2.gz GOJFLZZJUOZBMY-UHFFFAOYSA-N 1 2 248.286 0.953 20 0 BCADLO Cc1ncncc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347518425 386427478 /nfs/dbraw/zinc/42/74/78/386427478.db2.gz REZIVCMUODFYPO-UHFFFAOYSA-N 1 2 231.259 0.780 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC1 ZINC000134460617 386429235 /nfs/dbraw/zinc/42/92/35/386429235.db2.gz QHQGHYPKZKSXHU-JTQLQIEISA-N 1 2 241.335 0.559 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)[C@H]1C ZINC000339571132 386469195 /nfs/dbraw/zinc/46/91/95/386469195.db2.gz ASGKXSOHKIXOFA-BDAKNGLRSA-N 1 2 222.292 0.649 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)[C@H]1C ZINC000339571132 386469199 /nfs/dbraw/zinc/46/91/99/386469199.db2.gz ASGKXSOHKIXOFA-BDAKNGLRSA-N 1 2 222.292 0.649 20 0 BCADLO Cc1nn(C)c(N(C)C)c1C[NH+]1CC(C)(O)C1 ZINC000639254345 386470739 /nfs/dbraw/zinc/47/07/39/386470739.db2.gz PLNYKKBRDNHSCQ-UHFFFAOYSA-N 1 2 238.335 0.361 20 0 BCADLO O=C1NCCC[C@H]1[N@H+](CCO)Cc1cccnc1 ZINC000336731760 386471631 /nfs/dbraw/zinc/47/16/31/386471631.db2.gz RLDSPENPKHKZTE-GFCCVEGCSA-N 1 2 249.314 0.155 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+](CCO)Cc1cccnc1 ZINC000336731760 386471632 /nfs/dbraw/zinc/47/16/32/386471632.db2.gz RLDSPENPKHKZTE-GFCCVEGCSA-N 1 2 249.314 0.155 20 0 BCADLO Cc1cnc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336736553 386473241 /nfs/dbraw/zinc/47/32/41/386473241.db2.gz YOXTVWJBEZAFDX-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO Cc1cnc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336736553 386473247 /nfs/dbraw/zinc/47/32/47/386473247.db2.gz YOXTVWJBEZAFDX-LBPRGKRZSA-N 1 2 246.314 0.592 20 0 BCADLO CC[N@H+](CC(=O)N1CCC1)Cc1cnn(C)c1 ZINC000299629781 386474895 /nfs/dbraw/zinc/47/48/95/386474895.db2.gz SNEGUPSFIATLIT-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO CC[N@@H+](CC(=O)N1CCC1)Cc1cnn(C)c1 ZINC000299629781 386474900 /nfs/dbraw/zinc/47/49/00/386474900.db2.gz SNEGUPSFIATLIT-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1ccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000299658043 386477621 /nfs/dbraw/zinc/47/76/21/386477621.db2.gz NFBUOLDJSCXRTG-UHFFFAOYSA-N 1 2 248.290 0.828 20 0 BCADLO COC[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000299648361 386477791 /nfs/dbraw/zinc/47/77/91/386477791.db2.gz MZOOINAYLNWAIE-JTQLQIEISA-N 1 2 225.292 0.767 20 0 BCADLO O=C(c1cc[nH]c1)N1CCn2c[nH+]cc2C1 ZINC000290887548 386484180 /nfs/dbraw/zinc/48/41/80/386484180.db2.gz FKIUKYYWEWGYEK-UHFFFAOYSA-N 1 2 216.244 0.867 20 0 BCADLO C[C@@](O)(CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290885178 386484390 /nfs/dbraw/zinc/48/43/90/386484390.db2.gz CBZUEMAUJKFVOT-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC(F)(F)C1 ZINC000335429409 386484394 /nfs/dbraw/zinc/48/43/94/386484394.db2.gz GNUCOTSSSNCKFJ-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CC(F)(F)C1 ZINC000335429409 386484397 /nfs/dbraw/zinc/48/43/97/386484397.db2.gz GNUCOTSSSNCKFJ-VIFPVBQESA-N 1 2 248.273 0.621 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000061799362 386485431 /nfs/dbraw/zinc/48/54/31/386485431.db2.gz HCWUSAIPCRDHLN-UHFFFAOYSA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000061799362 386485433 /nfs/dbraw/zinc/48/54/33/386485433.db2.gz HCWUSAIPCRDHLN-UHFFFAOYSA-N 1 2 241.335 0.064 20 0 BCADLO O=C(c1cc[nH]n1)N1CCn2c[nH+]cc2C1 ZINC000290941134 386488298 /nfs/dbraw/zinc/48/82/98/386488298.db2.gz OMFKLXMPHHDUED-UHFFFAOYSA-N 1 2 217.232 0.262 20 0 BCADLO O=C(c1ccn[nH]1)N1CCn2c[nH+]cc2C1 ZINC000290941134 386488306 /nfs/dbraw/zinc/48/83/06/386488306.db2.gz OMFKLXMPHHDUED-UHFFFAOYSA-N 1 2 217.232 0.262 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000183343186 386490515 /nfs/dbraw/zinc/49/05/15/386490515.db2.gz DKSVWZSJIUBASK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO CO[C@@H](C)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000183343186 386490518 /nfs/dbraw/zinc/49/05/18/386490518.db2.gz DKSVWZSJIUBASK-WDEREUQCSA-N 1 2 244.335 0.248 20 0 BCADLO Cc1[nH]c(C(=O)NCc2ccn(C)c2)c[nH+]1 ZINC000267078455 386490689 /nfs/dbraw/zinc/49/06/89/386490689.db2.gz HNWVDNNGNUXVJP-UHFFFAOYSA-N 1 2 218.260 0.987 20 0 BCADLO CCN(CC)C(=O)C[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339624311 386492322 /nfs/dbraw/zinc/49/23/22/386492322.db2.gz YTUAQBVYHLOCCU-VXGBXAGGSA-N 1 2 241.379 0.879 20 0 BCADLO Cn1cc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000290981129 386494239 /nfs/dbraw/zinc/49/42/39/386494239.db2.gz VPMKNCWTLQIVTL-UHFFFAOYSA-N 1 2 231.259 0.273 20 0 BCADLO O=C(c1ccc(=O)[nH]c1)N1CCn2c[nH+]cc2C1 ZINC000290972623 386494656 /nfs/dbraw/zinc/49/46/56/386494656.db2.gz UAODBAVCIIUARH-UHFFFAOYSA-N 1 2 244.254 0.640 20 0 BCADLO CN(C)c1ccnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000267148075 386501524 /nfs/dbraw/zinc/50/15/24/386501524.db2.gz IBXFQUQKFBVLMG-UHFFFAOYSA-N 1 2 245.286 0.801 20 0 BCADLO CN(C)c1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000519604819 386502028 /nfs/dbraw/zinc/50/20/28/386502028.db2.gz IJWRJPNWQWBEQL-YUMQZZPRSA-N 1 2 240.307 0.385 20 0 BCADLO Cc1ccnc(C[N@@H+](CC(N)=O)CC(C)C)n1 ZINC000339644012 386502181 /nfs/dbraw/zinc/50/21/81/386502181.db2.gz GTEGBHJYKWATSI-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO Cc1ccnc(C[N@H+](CC(N)=O)CC(C)C)n1 ZINC000339644012 386502189 /nfs/dbraw/zinc/50/21/89/386502189.db2.gz GTEGBHJYKWATSI-UHFFFAOYSA-N 1 2 236.319 0.728 20 0 BCADLO C=Cn1cc(C[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000278281657 386506379 /nfs/dbraw/zinc/50/63/79/386506379.db2.gz SZYYXIVDTOHJBE-NSHDSACASA-N 1 2 223.276 0.177 20 0 BCADLO C=Cn1cc(C[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000278281657 386506384 /nfs/dbraw/zinc/50/63/84/386506384.db2.gz SZYYXIVDTOHJBE-NSHDSACASA-N 1 2 223.276 0.177 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CC2 ZINC000643339625 386508010 /nfs/dbraw/zinc/50/80/10/386508010.db2.gz FOJJOMQVTNHFMZ-SSDOTTSWSA-N 1 2 204.229 0.948 20 0 BCADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CC2 ZINC000643339626 386508390 /nfs/dbraw/zinc/50/83/90/386508390.db2.gz FOJJOMQVTNHFMZ-ZETCQYMHSA-N 1 2 204.229 0.948 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000336787384 386511906 /nfs/dbraw/zinc/51/19/06/386511906.db2.gz LRLMSKIWWOUQMY-UHFFFAOYSA-N 1 2 248.330 0.498 20 0 BCADLO Cc1cnn(CC[N@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000336787384 386511909 /nfs/dbraw/zinc/51/19/09/386511909.db2.gz LRLMSKIWWOUQMY-UHFFFAOYSA-N 1 2 248.330 0.498 20 0 BCADLO CCc1nc(N2CC(=O)N(CC)C2)cc(C)[nH+]1 ZINC000343231504 386512642 /nfs/dbraw/zinc/51/26/42/386512642.db2.gz YHWHQUFRWUDPLS-UHFFFAOYSA-N 1 2 234.303 0.973 20 0 BCADLO CCn1ccnc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000519640266 386514022 /nfs/dbraw/zinc/51/40/22/386514022.db2.gz DEBTYLVRQVMGGH-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CCC1)N1CCC1 ZINC000335447180 386515340 /nfs/dbraw/zinc/51/53/40/386515340.db2.gz NEHHINDVCOIYBN-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CCC1)N1CCC1 ZINC000335447180 386515344 /nfs/dbraw/zinc/51/53/44/386515344.db2.gz NEHHINDVCOIYBN-GFCCVEGCSA-N 1 2 238.331 0.720 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515553 /nfs/dbraw/zinc/51/55/53/386515553.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 1 2 208.309 0.887 20 0 BCADLO COC(=O)N(C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000267260869 386517613 /nfs/dbraw/zinc/51/76/13/386517613.db2.gz TWGQAAWHYHTJBV-UHFFFAOYSA-N 1 2 240.263 0.033 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517947 /nfs/dbraw/zinc/51/79/47/386517947.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 1 2 208.309 0.887 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000291172754 386519425 /nfs/dbraw/zinc/51/94/25/386519425.db2.gz DUNITWFHLHPURW-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000291172754 386519429 /nfs/dbraw/zinc/51/94/29/386519429.db2.gz DUNITWFHLHPURW-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339693802 386523995 /nfs/dbraw/zinc/52/39/95/386523995.db2.gz DJQXIXSCDIHAMF-MNOVXSKESA-N 1 2 244.335 0.200 20 0 BCADLO CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000339705229 386524011 /nfs/dbraw/zinc/52/40/11/386524011.db2.gz HMUVSCWCBSUOGR-JTQLQIEISA-N 1 2 226.320 0.718 20 0 BCADLO O=C(c1ccc[nH]c1=O)N1CCn2c[nH+]cc2C1 ZINC000291240762 386525720 /nfs/dbraw/zinc/52/57/20/386525720.db2.gz XLDPYIUEEWUZER-UHFFFAOYSA-N 1 2 244.254 0.640 20 0 BCADLO Cc1cnccc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000335452489 386525943 /nfs/dbraw/zinc/52/59/43/386525943.db2.gz KEKOFVMVCFFUSJ-UHFFFAOYSA-N 1 2 233.315 0.707 20 0 BCADLO Cc1cnccc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000335452489 386525949 /nfs/dbraw/zinc/52/59/49/386525949.db2.gz KEKOFVMVCFFUSJ-UHFFFAOYSA-N 1 2 233.315 0.707 20 0 BCADLO Cc1cnc(C[NH+]2CCC(CC(N)=O)CC2)nc1 ZINC000340663315 386526504 /nfs/dbraw/zinc/52/65/04/386526504.db2.gz VAQATVLQIYYNIT-UHFFFAOYSA-N 1 2 248.330 0.872 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@](C)(O)C1CC1 ZINC000519695113 386527724 /nfs/dbraw/zinc/52/77/24/386527724.db2.gz QWZAWIKRDKUXIK-GFCCVEGCSA-N 1 2 237.303 0.240 20 0 BCADLO O=Cc1ccc(C(=O)NCCCn2cc[nH+]c2)[nH]1 ZINC000267329530 386528141 /nfs/dbraw/zinc/52/81/41/386528141.db2.gz FNYOIPUGBRBZGX-UHFFFAOYSA-N 1 2 246.270 0.844 20 0 BCADLO COC(=O)[C@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336997697 386576623 /nfs/dbraw/zinc/57/66/23/386576623.db2.gz PJSUYPDSQKRSHA-SFYZADRCSA-N 1 2 237.259 0.177 20 0 BCADLO COC(=O)[C@]1(F)CCN(Cc2c[nH+]cn2C)C1 ZINC000267786052 386584031 /nfs/dbraw/zinc/58/40/31/386584031.db2.gz IRYBWLJEGZESOD-NSHDSACASA-N 1 2 241.266 0.507 20 0 BCADLO CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)OC ZINC000291823597 386587541 /nfs/dbraw/zinc/58/75/41/386587541.db2.gz BMLOEJBRDMEXAY-NSHDSACASA-N 1 2 239.319 0.894 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000278819951 386590164 /nfs/dbraw/zinc/59/01/64/386590164.db2.gz XVSFKZVGFZSBGU-VIFPVBQESA-N 1 2 237.303 0.994 20 0 BCADLO Cc1cnc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000291842349 386590895 /nfs/dbraw/zinc/59/08/95/386590895.db2.gz UHOHZXORCDXPOW-UHFFFAOYSA-N 1 2 234.259 1.000 20 0 BCADLO C[C@H](CNC(=O)C(F)F)Cn1cc[nH+]c1 ZINC000278846722 386593713 /nfs/dbraw/zinc/59/37/13/386593713.db2.gz AOHJSRWYFPAPSY-SSDOTTSWSA-N 1 2 217.219 0.901 20 0 BCADLO Nc1ccc(NC(=O)[C@@H]2CCCO2)c[nH+]1 ZINC000061680505 386533369 /nfs/dbraw/zinc/53/33/69/386533369.db2.gz OZBYOCAAQOFZNU-QMMMGPOBSA-N 1 2 207.233 0.781 20 0 BCADLO Cn1cc(N2CC[N@H+](CC3CCC3)CC2=O)cn1 ZINC000267367019 386534935 /nfs/dbraw/zinc/53/49/35/386534935.db2.gz JIEZPGJZBSUCPU-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO Cn1cc(N2CC[N@@H+](CC3CCC3)CC2=O)cn1 ZINC000267367019 386534939 /nfs/dbraw/zinc/53/49/39/386534939.db2.gz JIEZPGJZBSUCPU-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO Cn1ncc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291389104 386539006 /nfs/dbraw/zinc/53/90/06/386539006.db2.gz BFGIHFOINAIONG-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ncc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291389104 386539015 /nfs/dbraw/zinc/53/90/15/386539015.db2.gz BFGIHFOINAIONG-LLVKDONJSA-N 1 2 232.291 0.459 20 0 BCADLO Cn1ncc2c1nc(NC1CCC1)[nH+]c2N ZINC000278517250 386539058 /nfs/dbraw/zinc/53/90/58/386539058.db2.gz YPYAPNMTJBFUEN-UHFFFAOYSA-N 1 2 218.264 0.910 20 0 BCADLO CC(C)[C@H](O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291390275 386539534 /nfs/dbraw/zinc/53/95/34/386539534.db2.gz CKXWCUUFEXTSEJ-UWVGGRQHSA-N 1 2 225.292 0.405 20 0 BCADLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000101733727 386539635 /nfs/dbraw/zinc/53/96/35/386539635.db2.gz UHZLZTIKOLXGAM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000101733727 386539638 /nfs/dbraw/zinc/53/96/38/386539638.db2.gz UHZLZTIKOLXGAM-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CC(=O)NC1C[NH+](Cc2cccnc2)C1 ZINC000291380659 386539707 /nfs/dbraw/zinc/53/97/07/386539707.db2.gz AZCNKIRPRKHASY-UHFFFAOYSA-N 1 2 205.261 0.402 20 0 BCADLO CS[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339729394 386544904 /nfs/dbraw/zinc/54/49/04/386544904.db2.gz GVCRHXBFRBDJEV-SNVBAGLBSA-N 1 2 246.376 0.529 20 0 BCADLO Cc1cc(N2CC(=O)N(C)[C@H](C)C2)nc[nH+]1 ZINC000336924891 386550535 /nfs/dbraw/zinc/55/05/35/386550535.db2.gz VYSAOOWAASLEQA-SECBINFHSA-N 1 2 220.276 0.452 20 0 BCADLO C/C=C(\C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000267529864 386550696 /nfs/dbraw/zinc/55/06/96/386550696.db2.gz RLMAALNKDYAOKY-LLMHMKPQSA-N 1 2 226.320 0.790 20 0 BCADLO C[C@H]([NH2+]CCOCC(F)F)c1ncn(C)n1 ZINC000336756084 386552404 /nfs/dbraw/zinc/55/24/04/386552404.db2.gz YIFIUGDNGBKVDO-ZETCQYMHSA-N 1 2 234.250 0.747 20 0 BCADLO OCC[NH+]1CCN(c2nnc(C3CC3)o2)CC1 ZINC000408412140 386553285 /nfs/dbraw/zinc/55/32/85/386553285.db2.gz NWWBWUWTPHTXQR-UHFFFAOYSA-N 1 2 238.291 0.061 20 0 BCADLO Cc1cn[nH]c1C[N@H+](C)CCOCCO ZINC000291528650 386555195 /nfs/dbraw/zinc/55/51/95/386555195.db2.gz JXMLKALUKHAEKN-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1cn[nH]c1C[N@@H+](C)CCOCCO ZINC000291528650 386555202 /nfs/dbraw/zinc/55/52/02/386555202.db2.gz JXMLKALUKHAEKN-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1c[nH]nc1C[N@H+](C)CCOCCO ZINC000291528650 386555209 /nfs/dbraw/zinc/55/52/09/386555209.db2.gz JXMLKALUKHAEKN-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1c[nH]nc1C[N@@H+](C)CCOCCO ZINC000291528650 386555220 /nfs/dbraw/zinc/55/52/20/386555220.db2.gz JXMLKALUKHAEKN-UHFFFAOYSA-N 1 2 213.281 0.159 20 0 BCADLO Cc1n[nH]c(C)c1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000335402375 386556073 /nfs/dbraw/zinc/55/60/73/386556073.db2.gz ZSZIZVPCSFUCSC-ZETCQYMHSA-N 1 2 222.292 0.347 20 0 BCADLO Cc1n[nH]c(C)c1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000335402375 386556074 /nfs/dbraw/zinc/55/60/74/386556074.db2.gz ZSZIZVPCSFUCSC-ZETCQYMHSA-N 1 2 222.292 0.347 20 0 BCADLO CCN1C[C@@H](Nc2cc(C)[nH+]cn2)CC1=O ZINC000391651667 386557820 /nfs/dbraw/zinc/55/78/20/386557820.db2.gz XKRCPGHRBFPCIH-VIFPVBQESA-N 1 2 220.276 0.818 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000519799322 386558298 /nfs/dbraw/zinc/55/82/98/386558298.db2.gz QNTPEGXDQUOKSY-MXWKQRLJSA-N 1 2 235.287 0.567 20 0 BCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1c[nH+]cn1C ZINC000267608369 386558634 /nfs/dbraw/zinc/55/86/34/386558634.db2.gz NKDAWGKDJSTRDU-LSYCYVAJSA-N 1 2 241.360 0.761 20 0 BCADLO Cc1nc(N2CC(O)(C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000408420971 386565381 /nfs/dbraw/zinc/56/53/81/386565381.db2.gz CJIUVIOAVREHBM-UHFFFAOYSA-N 1 2 249.318 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2CC(O)(C3CC3)C2)[nH+]1 ZINC000408420971 386565387 /nfs/dbraw/zinc/56/53/87/386565387.db2.gz CJIUVIOAVREHBM-UHFFFAOYSA-N 1 2 249.318 0.207 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@@H]1OC ZINC000291677264 386569388 /nfs/dbraw/zinc/56/93/88/386569388.db2.gz WXPGQCYTBLPMOV-PHIMTYICSA-N 1 2 225.292 0.564 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@@H]1OC ZINC000291677264 386569395 /nfs/dbraw/zinc/56/93/95/386569395.db2.gz WXPGQCYTBLPMOV-PHIMTYICSA-N 1 2 225.292 0.564 20 0 BCADLO C[C@H](CNC(=O)C(C)(C)CO)Cn1cc[nH+]c1 ZINC000520251949 386619882 /nfs/dbraw/zinc/61/98/82/386619882.db2.gz RGVLYJFPTVXBBB-SNVBAGLBSA-N 1 2 239.319 0.654 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N[C@H]1[C@@H]2COC[C@@H]21 ZINC000328781148 386626011 /nfs/dbraw/zinc/62/60/11/386626011.db2.gz HFGKODGUJCDGGL-BRPSZJMVSA-N 1 2 231.259 0.420 20 0 BCADLO COCc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000179185910 386626505 /nfs/dbraw/zinc/62/65/05/386626505.db2.gz FKFQGYXDDLIGSX-UHFFFAOYSA-N 1 2 234.299 0.765 20 0 BCADLO COCc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000179185910 386626515 /nfs/dbraw/zinc/62/65/15/386626515.db2.gz FKFQGYXDDLIGSX-UHFFFAOYSA-N 1 2 234.299 0.765 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000328799500 386626996 /nfs/dbraw/zinc/62/69/96/386626996.db2.gz HGNYXAQHFBFEAF-VIFPVBQESA-N 1 2 240.307 0.757 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC000328799500 386626999 /nfs/dbraw/zinc/62/69/99/386626999.db2.gz HGNYXAQHFBFEAF-VIFPVBQESA-N 1 2 240.307 0.757 20 0 BCADLO CCNC(=O)C[N@H+](CC)[C@@H](CC)C(=O)OC ZINC000179194053 386629254 /nfs/dbraw/zinc/62/92/54/386629254.db2.gz JJFSMJCXALRLFK-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO CCNC(=O)C[N@@H+](CC)[C@@H](CC)C(=O)OC ZINC000179194053 386629258 /nfs/dbraw/zinc/62/92/58/386629258.db2.gz JJFSMJCXALRLFK-VIFPVBQESA-N 1 2 230.308 0.396 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)c2cc[nH]c2)CCO1 ZINC000520249131 386629315 /nfs/dbraw/zinc/62/93/15/386629315.db2.gz ROGOGRDWOMKKLY-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc[nH]c2)CCO1 ZINC000520249131 386629317 /nfs/dbraw/zinc/62/93/17/386629317.db2.gz ROGOGRDWOMKKLY-JTQLQIEISA-N 1 2 237.303 0.465 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@H]2CCC(=O)C2)C1 ZINC000335501748 386630392 /nfs/dbraw/zinc/63/03/92/386630392.db2.gz GKFDCBSXUDAJKA-VIFPVBQESA-N 1 2 224.304 0.564 20 0 BCADLO COC[C@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000644943614 386631424 /nfs/dbraw/zinc/63/14/24/386631424.db2.gz GMKFRVROODXKOT-SNVBAGLBSA-N 1 2 245.286 0.887 20 0 BCADLO CC[C@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337171279 386632872 /nfs/dbraw/zinc/63/28/72/386632872.db2.gz DNWUFAVHLCRXCG-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337171279 386632876 /nfs/dbraw/zinc/63/28/76/386632876.db2.gz DNWUFAVHLCRXCG-DTWKUNHWSA-N 1 2 240.307 0.338 20 0 BCADLO O=C1C[N@H+](Cc2ccno2)[C@@H]2CCCC[C@@H]2N1 ZINC000268282858 386636049 /nfs/dbraw/zinc/63/60/49/386636049.db2.gz PTIFXIIWSIRBQT-WDEREUQCSA-N 1 2 235.287 0.918 20 0 BCADLO O=C1C[N@@H+](Cc2ccno2)[C@@H]2CCCC[C@@H]2N1 ZINC000268282858 386636056 /nfs/dbraw/zinc/63/60/56/386636056.db2.gz PTIFXIIWSIRBQT-WDEREUQCSA-N 1 2 235.287 0.918 20 0 BCADLO CC(C)[C@H](O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292364187 386655955 /nfs/dbraw/zinc/65/59/55/386655955.db2.gz YUQOSUWHLLMARB-NSHDSACASA-N 1 2 239.319 0.749 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148914836 386646082 /nfs/dbraw/zinc/64/60/82/386646082.db2.gz BIHXIYNYTUAHSH-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148914836 386646086 /nfs/dbraw/zinc/64/60/86/386646086.db2.gz BIHXIYNYTUAHSH-NXEZZACHSA-N 1 2 231.292 0.285 20 0 BCADLO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCCO2)nc1=O ZINC000329283943 386646430 /nfs/dbraw/zinc/64/64/30/386646430.db2.gz NRXOWFHLUHPEDW-SECBINFHSA-N 1 2 240.307 0.109 20 0 BCADLO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCCO2)nc1=O ZINC000329283943 386646435 /nfs/dbraw/zinc/64/64/35/386646435.db2.gz NRXOWFHLUHPEDW-SECBINFHSA-N 1 2 240.307 0.109 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1nnc[nH]1 ZINC000279189219 386646806 /nfs/dbraw/zinc/64/68/06/386646806.db2.gz MUUGZPSSMVYYCJ-PSASIEDQSA-N 1 2 249.318 0.609 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1nnc[nH]1 ZINC000279189219 386646809 /nfs/dbraw/zinc/64/68/09/386646809.db2.gz MUUGZPSSMVYYCJ-PSASIEDQSA-N 1 2 249.318 0.609 20 0 BCADLO CO[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279223384 386650378 /nfs/dbraw/zinc/65/03/78/386650378.db2.gz PFJCWNYBOVJQDQ-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO Nc1cc(CN2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000279231168 386653021 /nfs/dbraw/zinc/65/30/21/386653021.db2.gz YPKTYXICNCGAHY-UHFFFAOYSA-N 1 2 232.287 0.428 20 0 BCADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)CSC ZINC000187812198 386602960 /nfs/dbraw/zinc/60/29/60/386602960.db2.gz KIGIJJMLICPFKL-MRVPVSSYSA-N 1 2 235.349 0.642 20 0 BCADLO Cc1ccc(NC(=O)CC(N)=O)c(C)[nH+]1 ZINC000267998032 386606619 /nfs/dbraw/zinc/60/66/19/386606619.db2.gz MZXONPOHLSVDLI-UHFFFAOYSA-N 1 2 207.233 0.512 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335490137 386606806 /nfs/dbraw/zinc/60/68/06/386606806.db2.gz BLJUBBBMFFJIAS-NXEZZACHSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@H](CF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493876 386613808 /nfs/dbraw/zinc/61/38/08/386613808.db2.gz ZBLSTEOHYKIXFR-RKDXNWHRSA-N 1 2 225.267 0.920 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493863 386614700 /nfs/dbraw/zinc/61/47/00/386614700.db2.gz YZFZNTQAFNLJGG-CMPLNLGQSA-N 1 2 249.314 0.693 20 0 BCADLO CC[NH+]1CCN(C(=O)[C@H]2CCC(=O)C2)CC1 ZINC000335495603 386618331 /nfs/dbraw/zinc/61/83/31/386618331.db2.gz TVWFYJYMSQOWMX-JTQLQIEISA-N 1 2 224.304 0.520 20 0 BCADLO Cc1nnc(C[N@@H+](C)C2(C(N)=O)CCCC2)o1 ZINC000120207497 386663397 /nfs/dbraw/zinc/66/33/97/386663397.db2.gz PBNOSECCXXYHNT-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO Cc1nnc(C[N@H+](C)C2(C(N)=O)CCCC2)o1 ZINC000120207497 386663400 /nfs/dbraw/zinc/66/34/00/386663400.db2.gz PBNOSECCXXYHNT-UHFFFAOYSA-N 1 2 238.291 0.608 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)c1nc2n[nH]cc2c(=O)[nH]1 ZINC000428123178 386664823 /nfs/dbraw/zinc/66/48/23/386664823.db2.gz FKGIYSNGPAEIAK-UHFFFAOYSA-N 1 2 245.246 0.418 20 0 BCADLO C[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CO1 ZINC000335526837 386670684 /nfs/dbraw/zinc/67/06/84/386670684.db2.gz BFWVKYPGDJZABG-IUCAKERBSA-N 1 2 237.303 0.981 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H]2CO[C@H](C)C2)c[nH+]1 ZINC000335527473 386672975 /nfs/dbraw/zinc/67/29/75/386672975.db2.gz CWLDSDNLJKCNMR-SVRRBLITSA-N 1 2 209.249 0.625 20 0 BCADLO COC(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000268638691 386673287 /nfs/dbraw/zinc/67/32/87/386673287.db2.gz XLZCXVQUELLDJR-RXMQYKEDSA-N 1 2 211.221 0.009 20 0 BCADLO Cc1cc(NC(=O)N2CC(=O)N(C)C2)cc[nH+]1 ZINC000329473100 386682551 /nfs/dbraw/zinc/68/25/51/386682551.db2.gz ZNXOXYDQXFTAMM-UHFFFAOYSA-N 1 2 234.259 0.075 20 0 BCADLO CC[C@H](C)[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000268655676 386675506 /nfs/dbraw/zinc/67/55/06/386675506.db2.gz XEIWKRIHKAVUKV-WDEREUQCSA-N 1 2 239.319 0.796 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCOC2=O)c[nH+]1 ZINC000292475110 386677259 /nfs/dbraw/zinc/67/72/59/386677259.db2.gz MZOJRZVFHNDUNI-JTQLQIEISA-N 1 2 223.232 0.154 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+](CCO)Cc1cccnc1 ZINC000268676084 386678459 /nfs/dbraw/zinc/67/84/59/386678459.db2.gz LHMMFCPZILEKRZ-NSHDSACASA-N 1 2 237.303 0.140 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+](CCO)Cc1cccnc1 ZINC000268676084 386678466 /nfs/dbraw/zinc/67/84/66/386678466.db2.gz LHMMFCPZILEKRZ-NSHDSACASA-N 1 2 237.303 0.140 20 0 BCADLO CN(C(=O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000647938116 386689121 /nfs/dbraw/zinc/68/91/21/386689121.db2.gz MJWKBZJSFAHLEN-UHFFFAOYSA-N 1 2 234.303 0.320 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@@H+]2Cc1cnc[nH]1 ZINC000337259996 386690868 /nfs/dbraw/zinc/69/08/68/386690868.db2.gz WRVPRHSJTRPOPE-ZJUUUORDSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1cnc[nH]1 ZINC000337259996 386690874 /nfs/dbraw/zinc/69/08/74/386690874.db2.gz WRVPRHSJTRPOPE-ZJUUUORDSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@@H+]2Cc1c[nH]cn1 ZINC000337259996 386690882 /nfs/dbraw/zinc/69/08/82/386690882.db2.gz WRVPRHSJTRPOPE-ZJUUUORDSA-N 1 2 220.276 0.120 20 0 BCADLO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1c[nH]cn1 ZINC000337259996 386690889 /nfs/dbraw/zinc/69/08/89/386690889.db2.gz WRVPRHSJTRPOPE-ZJUUUORDSA-N 1 2 220.276 0.120 20 0 BCADLO COC[C@H](C)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414483263 386694145 /nfs/dbraw/zinc/69/41/45/386694145.db2.gz FCJAEWDGWDGVFM-WPRPVWTQSA-N 1 2 215.293 0.953 20 0 BCADLO CCC(=O)N1CCN(Cc2[nH+]ccn2C)C1 ZINC000335483510 386711863 /nfs/dbraw/zinc/71/18/63/386711863.db2.gz HVMPCMPSMSPJGN-UHFFFAOYSA-N 1 2 222.292 0.432 20 0 BCADLO COC(=O)C(C)(C)[NH2+]CCC(C)(C)O ZINC000336648418 386695202 /nfs/dbraw/zinc/69/52/02/386695202.db2.gz GLZMURKYIMWACN-UHFFFAOYSA-N 1 2 203.282 0.689 20 0 BCADLO COCc1nnc(N2CC[NH+](C)CC2)s1 ZINC000357032341 386695195 /nfs/dbraw/zinc/69/51/95/386695195.db2.gz XUOASPQWXQIWSF-UHFFFAOYSA-N 1 2 228.321 0.436 20 0 BCADLO C[N@H+](Cc1nc(C2CC2)no1)C1CC(O)C1 ZINC000329537667 386698692 /nfs/dbraw/zinc/69/86/92/386698692.db2.gz UZYNGUSQKRFTRI-UHFFFAOYSA-N 1 2 223.276 0.902 20 0 BCADLO C[N@@H+](Cc1nc(C2CC2)no1)C1CC(O)C1 ZINC000329537667 386698701 /nfs/dbraw/zinc/69/87/01/386698701.db2.gz UZYNGUSQKRFTRI-UHFFFAOYSA-N 1 2 223.276 0.902 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000647958166 386702455 /nfs/dbraw/zinc/70/24/55/386702455.db2.gz CVFOEMACEAZKLX-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000647958166 386702459 /nfs/dbraw/zinc/70/24/59/386702459.db2.gz CVFOEMACEAZKLX-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000647958166 386702467 /nfs/dbraw/zinc/70/24/67/386702467.db2.gz CVFOEMACEAZKLX-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000647958166 386702472 /nfs/dbraw/zinc/70/24/72/386702472.db2.gz CVFOEMACEAZKLX-SNVBAGLBSA-N 1 2 210.281 0.458 20 0 BCADLO CC[C@H]([NH2+]CCOCC(F)F)C(=O)OC ZINC000192866417 386703891 /nfs/dbraw/zinc/70/38/91/386703891.db2.gz MUQNUHDERHOXSJ-ZETCQYMHSA-N 1 2 225.235 0.809 20 0 BCADLO CC(=O)N1CC([NH2+][C@H]2CCn3ccnc32)C1 ZINC000520609228 386706792 /nfs/dbraw/zinc/70/67/92/386706792.db2.gz GLWUOEHGHHQURI-JTQLQIEISA-N 1 2 220.276 0.148 20 0 BCADLO C[C@H](O)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330479484 386731517 /nfs/dbraw/zinc/73/15/17/386731517.db2.gz PLXHFDGMVTVHMR-QMMMGPOBSA-N 1 2 225.292 0.574 20 0 BCADLO COC(=O)[C@@H](CC1CC1)NCc1c[nH+]cn1C ZINC000414494170 386731479 /nfs/dbraw/zinc/73/14/79/386731479.db2.gz UXOFXMYMQZMAAF-LLVKDONJSA-N 1 2 237.303 0.851 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000186363824 386733333 /nfs/dbraw/zinc/73/33/33/386733333.db2.gz SFKMSQCZZAMTCJ-GFCCVEGCSA-N 1 2 240.303 0.293 20 0 BCADLO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NC1CC1 ZINC000186363824 386733335 /nfs/dbraw/zinc/73/33/35/386733335.db2.gz SFKMSQCZZAMTCJ-GFCCVEGCSA-N 1 2 240.303 0.293 20 0 BCADLO C[NH+](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269013405 386737197 /nfs/dbraw/zinc/73/71/97/386737197.db2.gz HTDRKPPCUAUCJU-VIFPVBQESA-N 1 2 222.292 0.465 20 0 BCADLO OCC[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000647962681 386737459 /nfs/dbraw/zinc/73/74/59/386737459.db2.gz MVUHSLCWODBYPB-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO OCC[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000647962681 386737464 /nfs/dbraw/zinc/73/74/64/386737464.db2.gz MVUHSLCWODBYPB-LLVKDONJSA-N 1 2 224.308 0.584 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@@H](O)C(C)(C)C)c[nH+]1 ZINC000269022492 386738102 /nfs/dbraw/zinc/73/81/02/386738102.db2.gz KBNHSDZZGHVGCU-SECBINFHSA-N 1 2 225.292 0.855 20 0 BCADLO O=C1C[N@H+](CCCO[C@H]2CCCCO2)CCN1 ZINC000330423746 386713336 /nfs/dbraw/zinc/71/33/36/386713336.db2.gz HANWRYUCEHMQHF-LBPRGKRZSA-N 1 2 242.319 0.352 20 0 BCADLO O=C1C[N@@H+](CCCO[C@H]2CCCCO2)CCN1 ZINC000330423746 386713342 /nfs/dbraw/zinc/71/33/42/386713342.db2.gz HANWRYUCEHMQHF-LBPRGKRZSA-N 1 2 242.319 0.352 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cncnc1)CCO2 ZINC000279677958 386720337 /nfs/dbraw/zinc/72/03/37/386720337.db2.gz OGTLPGFIBWTLAY-DGCLKSJQSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cncnc1)CCO2 ZINC000279677958 386720343 /nfs/dbraw/zinc/72/03/43/386720343.db2.gz OGTLPGFIBWTLAY-DGCLKSJQSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)CCn1cc[nH+]c1 ZINC000268916343 386720988 /nfs/dbraw/zinc/72/09/88/386720988.db2.gz UXOQQJANEJULQW-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO CC[C@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329613969 386724217 /nfs/dbraw/zinc/72/42/17/386724217.db2.gz OZHRGTWXUNUWOK-JGVFFNPUSA-N 1 2 248.286 0.802 20 0 BCADLO CC[C@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329613969 386724222 /nfs/dbraw/zinc/72/42/22/386724222.db2.gz OZHRGTWXUNUWOK-JGVFFNPUSA-N 1 2 248.286 0.802 20 0 BCADLO Cn1nnnc1SCCn1cc[nH+]c1 ZINC000121828201 386724929 /nfs/dbraw/zinc/72/49/29/386724929.db2.gz PHOVPKRHEIQUOF-UHFFFAOYSA-N 1 2 210.266 0.199 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000292778554 386725701 /nfs/dbraw/zinc/72/57/01/386725701.db2.gz ULYBKXKRUGJYDO-UHFFFAOYSA-N 1 2 246.270 0.844 20 0 BCADLO COC(=O)[C@H](CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000292793363 386727034 /nfs/dbraw/zinc/72/70/34/386727034.db2.gz YTYFJTMBFZWFLS-SGJFDWMWSA-N 1 2 241.222 0.050 20 0 BCADLO c1nc(CNCCC[NH+]2CCOCC2)co1 ZINC000192279666 386750044 /nfs/dbraw/zinc/75/00/44/386750044.db2.gz FFSNJDOFRNIVSN-UHFFFAOYSA-N 1 2 225.292 0.487 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000122543329 386752587 /nfs/dbraw/zinc/75/25/87/386752587.db2.gz FFMCXPYJOYNLTN-SFYZADRCSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000122543329 386752598 /nfs/dbraw/zinc/75/25/98/386752598.db2.gz FFMCXPYJOYNLTN-SFYZADRCSA-N 1 2 203.307 0.985 20 0 BCADLO Cn1nnnc1C[N@H+](C)[C@H]1CCSC1 ZINC000340727416 386754215 /nfs/dbraw/zinc/75/42/15/386754215.db2.gz SZRDSUZDAOZZHA-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000340727416 386754222 /nfs/dbraw/zinc/75/42/22/386754222.db2.gz SZRDSUZDAOZZHA-ZETCQYMHSA-N 1 2 213.310 0.147 20 0 BCADLO CSCCONC(=O)CCn1cc[nH+]c1 ZINC000279957386 386760616 /nfs/dbraw/zinc/76/06/16/386760616.db2.gz JJJJOXNQLVOWTJ-UHFFFAOYSA-N 1 2 229.305 0.684 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCCO1 ZINC000330545477 386762026 /nfs/dbraw/zinc/76/20/26/386762026.db2.gz VAPZSXXCBMTNOO-VIFPVBQESA-N 1 2 223.276 0.605 20 0 BCADLO C[C@]([NH2+]CCF)(C(N)=O)c1ccccc1 ZINC000336761525 386765624 /nfs/dbraw/zinc/76/56/24/386765624.db2.gz NGRHIEKECFAVEF-LLVKDONJSA-N 1 2 210.252 0.946 20 0 BCADLO COC(=O)C1([NH2+]CCC(=O)N(C)C)CCCC1 ZINC000330596357 386741122 /nfs/dbraw/zinc/74/11/22/386741122.db2.gz VDYCYLUBBSNJDB-UHFFFAOYSA-N 1 2 242.319 0.540 20 0 BCADLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408445098 386793278 /nfs/dbraw/zinc/79/32/78/386793278.db2.gz XNZINRNIZGIHLV-HLTSFMKQSA-N 1 2 241.291 0.291 20 0 BCADLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408445098 386793285 /nfs/dbraw/zinc/79/32/85/386793285.db2.gz XNZINRNIZGIHLV-HLTSFMKQSA-N 1 2 241.291 0.291 20 0 BCADLO CC(C)C(=O)NCC[N@H+](C)Cc1cn(C)nn1 ZINC000330579481 386795420 /nfs/dbraw/zinc/79/54/20/386795420.db2.gz QTTAJTVPFADGHJ-UHFFFAOYSA-N 1 2 239.323 0.019 20 0 BCADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cn(C)nn1 ZINC000330579481 386795424 /nfs/dbraw/zinc/79/54/24/386795424.db2.gz QTTAJTVPFADGHJ-UHFFFAOYSA-N 1 2 239.323 0.019 20 0 BCADLO CCN(C)C(=O)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330561764 386770956 /nfs/dbraw/zinc/77/09/56/386770956.db2.gz JDQSQTUBFHNJGA-BDAKNGLRSA-N 1 2 245.298 0.802 20 0 BCADLO CCN(C)C(=O)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330561764 386770965 /nfs/dbraw/zinc/77/09/65/386770965.db2.gz JDQSQTUBFHNJGA-BDAKNGLRSA-N 1 2 245.298 0.802 20 0 BCADLO Cn1c2cc(F)ccc2[nH+]c1N1CC(O)C1 ZINC000334637323 386772349 /nfs/dbraw/zinc/77/23/49/386772349.db2.gz GOBZFADEHKYGMV-UHFFFAOYSA-N 1 2 221.235 0.893 20 0 BCADLO COC(=O)C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493206922 533192075 /nfs/dbraw/zinc/19/20/75/533192075.db2.gz NKWKCUOFXSQION-NSCUHMNNSA-N 1 2 249.270 0.492 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)NCc1ccc[nH]1 ZINC000357389311 386772922 /nfs/dbraw/zinc/77/29/22/386772922.db2.gz YIMVPJQGUDELKG-UHFFFAOYSA-N 1 2 232.287 0.997 20 0 BCADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330529192 386773654 /nfs/dbraw/zinc/77/36/54/386773654.db2.gz QWSIYVFQGJLVMD-QMMMGPOBSA-N 1 2 243.307 0.485 20 0 BCADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330529192 386773663 /nfs/dbraw/zinc/77/36/63/386773663.db2.gz QWSIYVFQGJLVMD-QMMMGPOBSA-N 1 2 243.307 0.485 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1[nH+]ccn1C ZINC000269300788 386776729 /nfs/dbraw/zinc/77/67/29/386776729.db2.gz JLQURCMWLTUFJW-LLVKDONJSA-N 1 2 225.292 0.587 20 0 BCADLO CO[C@@]1(C)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000280096517 386778688 /nfs/dbraw/zinc/77/86/88/386778688.db2.gz RBIZSFPNCARDAC-LBPRGKRZSA-N 1 2 237.303 0.911 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)NC(C)C)C1 ZINC000330538395 386780986 /nfs/dbraw/zinc/78/09/86/386780986.db2.gz UOHQFMGZOWGIJN-IUCAKERBSA-N 1 2 243.307 0.136 20 0 BCADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)NC(C)C)C1 ZINC000330538395 386780990 /nfs/dbraw/zinc/78/09/90/386780990.db2.gz UOHQFMGZOWGIJN-IUCAKERBSA-N 1 2 243.307 0.136 20 0 BCADLO CCC[C@@](C)(O)C(=O)NCc1[nH]c[nH+]c1C ZINC000269343718 386783527 /nfs/dbraw/zinc/78/35/27/386783527.db2.gz CQNLKKFXWVWCOT-LLVKDONJSA-N 1 2 225.292 0.885 20 0 BCADLO Cn1c[nH+]cc1CSc1nnnn1C ZINC000331121215 386783909 /nfs/dbraw/zinc/78/39/09/386783909.db2.gz MXTFDYMEQYBKPM-UHFFFAOYSA-N 1 2 210.266 0.236 20 0 BCADLO CC[C@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OC ZINC000113164391 386784847 /nfs/dbraw/zinc/78/48/47/386784847.db2.gz ZOSUOMLILVXERW-ZJUUUORDSA-N 1 2 225.292 0.813 20 0 BCADLO CC[C@](C)([NH2+]CCC(=O)NC(C)C)C(=O)OC ZINC000352866281 386785023 /nfs/dbraw/zinc/78/50/23/386785023.db2.gz GJQOSAUEHKNNNH-LBPRGKRZSA-N 1 2 244.335 0.832 20 0 BCADLO CC[C@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000293252943 386787298 /nfs/dbraw/zinc/78/72/98/386787298.db2.gz RNPUFJMHCQTTFT-NSHDSACASA-N 1 2 225.292 0.814 20 0 BCADLO O=Cc1c[nH]c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000293210293 386788716 /nfs/dbraw/zinc/78/87/16/386788716.db2.gz JHTUQVXWPIJRLD-UHFFFAOYSA-N 1 2 247.298 0.747 20 0 BCADLO CCn1c[nH+]cc1CN1CCN(C)C(=O)[C@H]1C ZINC000418000165 386818014 /nfs/dbraw/zinc/81/80/14/386818014.db2.gz VIZVVPIKYWJNAW-SNVBAGLBSA-N 1 2 236.319 0.566 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330618737 386819490 /nfs/dbraw/zinc/81/94/90/386819490.db2.gz HSLIUYWGAWWCFN-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330618737 386819493 /nfs/dbraw/zinc/81/94/93/386819493.db2.gz HSLIUYWGAWWCFN-GHMZBOCLSA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330621045 386820887 /nfs/dbraw/zinc/82/08/87/386820887.db2.gz LKPBTAHRULBWCL-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO CC[C@H](OC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330621045 386820894 /nfs/dbraw/zinc/82/08/94/386820894.db2.gz LKPBTAHRULBWCL-MNOVXSKESA-N 1 2 244.335 0.248 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1ccc(O)cc1O ZINC000192918651 386797564 /nfs/dbraw/zinc/79/75/64/386797564.db2.gz HKIRXAPKPQUTGK-UHFFFAOYSA-N 1 2 247.254 0.724 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000329754894 386798494 /nfs/dbraw/zinc/79/84/94/386798494.db2.gz XQXCMAPVJGCFCG-CABZTGNLSA-N 1 2 235.287 0.795 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ncn1 ZINC000293342439 386804358 /nfs/dbraw/zinc/80/43/58/386804358.db2.gz XKZMSEMSTSCGOU-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ncn1 ZINC000293342439 386804362 /nfs/dbraw/zinc/80/43/62/386804362.db2.gz XKZMSEMSTSCGOU-ZDUSSCGKSA-N 1 2 249.314 0.776 20 0 BCADLO CO[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000280570996 386825001 /nfs/dbraw/zinc/82/50/01/386825001.db2.gz CKCUHNINWVHLMX-MWLCHTKSSA-N 1 2 237.303 0.813 20 0 BCADLO Cc1cnn(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000357563555 386807634 /nfs/dbraw/zinc/80/76/34/386807634.db2.gz CYOFVEDXNOJJDV-UHFFFAOYSA-N 1 2 219.248 0.231 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]1O ZINC000395318965 386814815 /nfs/dbraw/zinc/81/48/15/386814815.db2.gz SSPYBDKTTRIMKR-VXGBXAGGSA-N 1 2 247.298 0.754 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]1O ZINC000395318965 386814823 /nfs/dbraw/zinc/81/48/23/386814823.db2.gz SSPYBDKTTRIMKR-VXGBXAGGSA-N 1 2 247.298 0.754 20 0 BCADLO Cn1ccc(C[N@@H+]2CCn3ncnc3C2)n1 ZINC000329957929 386815663 /nfs/dbraw/zinc/81/56/63/386815663.db2.gz MIFAJCCTOVMXJO-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO Cn1ccc(C[N@H+]2CCn3ncnc3C2)n1 ZINC000329957929 386815669 /nfs/dbraw/zinc/81/56/69/386815669.db2.gz MIFAJCCTOVMXJO-UHFFFAOYSA-N 1 2 218.264 0.027 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1ncnc2n[nH]cc21 ZINC000301091453 386815865 /nfs/dbraw/zinc/81/58/65/386815865.db2.gz SBNITYZGJKTFDQ-UHFFFAOYSA-N 1 2 243.274 0.723 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330680655 386826921 /nfs/dbraw/zinc/82/69/21/386826921.db2.gz YZDJTMPQSBIBFA-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO CC[C@H](O)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330680655 386826926 /nfs/dbraw/zinc/82/69/26/386826926.db2.gz YZDJTMPQSBIBFA-IUCAKERBSA-N 1 2 237.303 0.717 20 0 BCADLO O=C(CN1CCn2c[nH+]cc2C1)NCC1CC1 ZINC000647939273 386830995 /nfs/dbraw/zinc/83/09/95/386830995.db2.gz IFMFIDLTBWFINV-UHFFFAOYSA-N 1 2 234.303 0.225 20 0 BCADLO COc1ncncc1C[N@H+](C)[C@H]1CCOC1 ZINC000648006724 386836321 /nfs/dbraw/zinc/83/63/21/386836321.db2.gz WYASHEHYZZUGHU-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO COc1ncncc1C[N@@H+](C)[C@H]1CCOC1 ZINC000648006724 386836324 /nfs/dbraw/zinc/83/63/24/386836324.db2.gz WYASHEHYZZUGHU-JTQLQIEISA-N 1 2 223.276 0.706 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CCCC1 ZINC000280696898 386838133 /nfs/dbraw/zinc/83/81/33/386838133.db2.gz DWRQCBNLGDJSTC-UHFFFAOYSA-N 1 2 237.303 0.682 20 0 BCADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(O)CCCC1 ZINC000280696898 386838139 /nfs/dbraw/zinc/83/81/39/386838139.db2.gz DWRQCBNLGDJSTC-UHFFFAOYSA-N 1 2 237.303 0.682 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)Cc1[nH]c[nH+]c1C ZINC000341106944 386839070 /nfs/dbraw/zinc/83/90/70/386839070.db2.gz RKEUAODEEAJCJQ-MRVPVSSYSA-N 1 2 225.292 0.490 20 0 BCADLO Cc1cnc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000330241008 386839667 /nfs/dbraw/zinc/83/96/67/386839667.db2.gz FNTHMFMBGLPATO-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO Cc1cnc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000330241008 386839670 /nfs/dbraw/zinc/83/96/70/386839670.db2.gz FNTHMFMBGLPATO-MRVPVSSYSA-N 1 2 246.270 0.993 20 0 BCADLO COC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000357780800 386842853 /nfs/dbraw/zinc/84/28/53/386842853.db2.gz JWODSZYTEQGVOF-MRVPVSSYSA-N 1 2 236.275 0.686 20 0 BCADLO C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCO1 ZINC000335710131 386843002 /nfs/dbraw/zinc/84/30/02/386843002.db2.gz GLCBUXSGXXCDPR-GFCCVEGCSA-N 1 2 235.287 0.794 20 0 BCADLO CC[C@@H](O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000645178596 386846270 /nfs/dbraw/zinc/84/62/70/386846270.db2.gz NHWNPTJSLCEOFL-NXEZZACHSA-N 1 2 240.307 0.342 20 0 BCADLO CC(C)n1ncnc1C[N@H+](C)C1(CO)CC1 ZINC000331418838 386851269 /nfs/dbraw/zinc/85/12/69/386851269.db2.gz ASBTVHGDINPJEH-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@@H+](C)C1(CO)CC1 ZINC000331418838 386851274 /nfs/dbraw/zinc/85/12/74/386851274.db2.gz ASBTVHGDINPJEH-UHFFFAOYSA-N 1 2 224.308 0.816 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)Cc1ncccc1F ZINC000349527709 386851912 /nfs/dbraw/zinc/85/19/12/386851912.db2.gz IBHAMZJZDCUCDJ-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCO1 ZINC000336744419 386855186 /nfs/dbraw/zinc/85/51/86/386855186.db2.gz UXEZYPUGHMPKAZ-YUMQZZPRSA-N 1 2 226.280 0.558 20 0 BCADLO CO[C@@H](C)c1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331482264 386861272 /nfs/dbraw/zinc/86/12/72/386861272.db2.gz LXCFJNXQJFCAIV-QMMMGPOBSA-N 1 2 241.291 0.734 20 0 BCADLO CO[C@@H](C)c1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331482264 386861279 /nfs/dbraw/zinc/86/12/79/386861279.db2.gz LXCFJNXQJFCAIV-QMMMGPOBSA-N 1 2 241.291 0.734 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C1(CO)CC1 ZINC000331487506 386861483 /nfs/dbraw/zinc/86/14/83/386861483.db2.gz MOKFECOKXWTRHO-UHFFFAOYSA-N 1 2 228.271 0.204 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C1(CO)CC1 ZINC000331487506 386861488 /nfs/dbraw/zinc/86/14/88/386861488.db2.gz MOKFECOKXWTRHO-UHFFFAOYSA-N 1 2 228.271 0.204 20 0 BCADLO CO[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000331502497 386863128 /nfs/dbraw/zinc/86/31/28/386863128.db2.gz RBUYRQLIBNSMHG-SNVBAGLBSA-N 1 2 223.276 0.493 20 0 BCADLO CCOCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357941136 386868265 /nfs/dbraw/zinc/86/82/65/386868265.db2.gz CQLCLLONFVWARM-UHFFFAOYSA-N 1 2 222.248 0.930 20 0 BCADLO O=c1sccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335747004 386869022 /nfs/dbraw/zinc/86/90/22/386869022.db2.gz MTZJDYYPYGWUQE-AOOOYVTPSA-N 1 2 240.328 0.773 20 0 BCADLO O=c1sccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335747004 386869027 /nfs/dbraw/zinc/86/90/27/386869027.db2.gz MTZJDYYPYGWUQE-AOOOYVTPSA-N 1 2 240.328 0.773 20 0 BCADLO COC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000331568620 386870094 /nfs/dbraw/zinc/87/00/94/386870094.db2.gz JYCLHMWVKFDXQH-UHFFFAOYSA-N 1 2 223.276 0.638 20 0 BCADLO COC[C@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000357949436 386870123 /nfs/dbraw/zinc/87/01/23/386870123.db2.gz AWTABNWHQRRTIV-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000357949436 386870129 /nfs/dbraw/zinc/87/01/29/386870129.db2.gz AWTABNWHQRRTIV-LLVKDONJSA-N 1 2 244.335 0.200 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnn[nH]2)CCCO1 ZINC000331610210 386873689 /nfs/dbraw/zinc/87/36/89/386873689.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnn[nH]2)CCCO1 ZINC000331610210 386873696 /nfs/dbraw/zinc/87/36/96/386873696.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@H]1C[N@H+](Cc2c[nH]nn2)CCCO1 ZINC000331610210 386873699 /nfs/dbraw/zinc/87/36/99/386873699.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2c[nH]nn2)CCCO1 ZINC000331610210 386873704 /nfs/dbraw/zinc/87/37/04/386873704.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cn[nH]n2)CCCO1 ZINC000331610210 386873710 /nfs/dbraw/zinc/87/37/10/386873710.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cn[nH]n2)CCCO1 ZINC000331610210 386873713 /nfs/dbraw/zinc/87/37/13/386873713.db2.gz CSEPTYCTVZRFBA-JTQLQIEISA-N 1 2 210.281 0.806 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H]1SC)[C@@H](C)O ZINC000425342924 386875418 /nfs/dbraw/zinc/87/54/18/386875418.db2.gz QOWOMAJGDMZJSY-FNCVBFRFSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]1SC)[C@@H](C)O ZINC000425342926 386875769 /nfs/dbraw/zinc/87/57/69/386875769.db2.gz QOWOMAJGDMZJSY-LURQLKTLSA-N 1 2 233.333 0.392 20 0 BCADLO CCCCN1CC(=O)N[C@@H]1c1[nH+]cc(C)n1C ZINC000341279448 386876181 /nfs/dbraw/zinc/87/61/81/386876181.db2.gz JRBRXVCZAKSUNZ-LBPRGKRZSA-N 1 2 236.319 0.959 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330762466 386879060 /nfs/dbraw/zinc/87/90/60/386879060.db2.gz OMWFOUHLHDLCFO-DTWKUNHWSA-N 1 2 225.292 0.618 20 0 BCADLO C[C@@H](O)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330762466 386879066 /nfs/dbraw/zinc/87/90/66/386879066.db2.gz OMWFOUHLHDLCFO-DTWKUNHWSA-N 1 2 225.292 0.618 20 0 BCADLO CCN(C[C@@H](C)O)C(=O)CCc1[nH]cc[nH+]1 ZINC000341318343 386879413 /nfs/dbraw/zinc/87/94/13/386879413.db2.gz XUFZDBRTTABHPH-SECBINFHSA-N 1 2 225.292 0.572 20 0 BCADLO COCC[NH+]1CCN(C(=O)C2(C)CC2)CC1 ZINC000349631576 386894883 /nfs/dbraw/zinc/89/48/83/386894883.db2.gz OZNALDQYAFXCHD-UHFFFAOYSA-N 1 2 226.320 0.577 20 0 BCADLO COC(=O)[C@]1([NH2+]CC[C@H](C)F)CCOC1 ZINC000336744894 386882651 /nfs/dbraw/zinc/88/26/51/386882651.db2.gz AAJSPOOKNMHOSS-WPRPVWTQSA-N 1 2 219.256 0.656 20 0 BCADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cc(C)on1 ZINC000330733695 386885953 /nfs/dbraw/zinc/88/59/53/386885953.db2.gz KVNOKYVSKOZTKY-LLVKDONJSA-N 1 2 242.275 0.339 20 0 BCADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc(C)on1 ZINC000330733695 386885958 /nfs/dbraw/zinc/88/59/58/386885958.db2.gz KVNOKYVSKOZTKY-LLVKDONJSA-N 1 2 242.275 0.339 20 0 BCADLO COC[C@@H]([NH2+]Cc1nc(C)no1)[C@H]1CCCO1 ZINC000330797965 386890338 /nfs/dbraw/zinc/89/03/38/386890338.db2.gz BELJBNZBCDDHMU-NXEZZACHSA-N 1 2 241.291 0.662 20 0 BCADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)o2)C1 ZINC000331833486 386913543 /nfs/dbraw/zinc/91/35/43/386913543.db2.gz YKXKRDFGDJIRAP-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)o2)C1 ZINC000331833486 386913550 /nfs/dbraw/zinc/91/35/50/386913550.db2.gz YKXKRDFGDJIRAP-DTORHVGOSA-N 1 2 211.265 0.987 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000367864207 386917087 /nfs/dbraw/zinc/91/70/87/386917087.db2.gz JSRZCARDZSBPRF-LLVKDONJSA-N 1 2 232.299 0.261 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000367864207 386917091 /nfs/dbraw/zinc/91/70/91/386917091.db2.gz JSRZCARDZSBPRF-LLVKDONJSA-N 1 2 232.299 0.261 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccon1 ZINC000330827280 386899530 /nfs/dbraw/zinc/89/95/30/386899530.db2.gz SAWXYJXYUWKURY-ONGXEEELSA-N 1 2 226.276 0.646 20 0 BCADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccon1 ZINC000330827280 386899537 /nfs/dbraw/zinc/89/95/37/386899537.db2.gz SAWXYJXYUWKURY-ONGXEEELSA-N 1 2 226.276 0.646 20 0 BCADLO C[N@H+](CCC(N)=O)Cc1c(F)ccc(O)c1F ZINC000293910831 386900143 /nfs/dbraw/zinc/90/01/43/386900143.db2.gz LTOSHXONYJEXHJ-UHFFFAOYSA-N 1 2 244.241 0.978 20 0 BCADLO C[N@@H+](CCC(N)=O)Cc1c(F)ccc(O)c1F ZINC000293910831 386900148 /nfs/dbraw/zinc/90/01/48/386900148.db2.gz LTOSHXONYJEXHJ-UHFFFAOYSA-N 1 2 244.241 0.978 20 0 BCADLO Cn1ncnc1C[N@H+](C)C1(CO)CCC1 ZINC000331783083 386901413 /nfs/dbraw/zinc/90/14/13/386901413.db2.gz ODMARFUTQNVZND-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C1(CO)CCC1 ZINC000331783083 386901416 /nfs/dbraw/zinc/90/14/16/386901416.db2.gz ODMARFUTQNVZND-UHFFFAOYSA-N 1 2 210.281 0.162 20 0 BCADLO CC(C)n1cc(C[N@H+](C)C2CC(O)C2)nn1 ZINC000331777627 386902027 /nfs/dbraw/zinc/90/20/27/386902027.db2.gz MZYDHISONYVHPO-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)n1cc(C[N@@H+](C)C2CC(O)C2)nn1 ZINC000331777627 386902033 /nfs/dbraw/zinc/90/20/33/386902033.db2.gz MZYDHISONYVHPO-UHFFFAOYSA-N 1 2 224.308 0.814 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358171403 386907307 /nfs/dbraw/zinc/90/73/07/386907307.db2.gz SPGSLXUQFJBZHU-DTWKUNHWSA-N 1 2 237.303 0.808 20 0 BCADLO CCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358171403 386907310 /nfs/dbraw/zinc/90/73/10/386907310.db2.gz SPGSLXUQFJBZHU-DTWKUNHWSA-N 1 2 237.303 0.808 20 0 BCADLO Cc1ccnc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000330883412 386908049 /nfs/dbraw/zinc/90/80/49/386908049.db2.gz BFWMBWXGBPTCNC-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO Cc1ccnc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000330883412 386908051 /nfs/dbraw/zinc/90/80/51/386908051.db2.gz BFWMBWXGBPTCNC-GFCCVEGCSA-N 1 2 237.303 0.368 20 0 BCADLO CCNC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334857666 386908980 /nfs/dbraw/zinc/90/89/80/386908980.db2.gz UWXJNDWKRDFADV-UHFFFAOYSA-N 1 2 234.299 0.886 20 0 BCADLO CCNC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334857666 386908986 /nfs/dbraw/zinc/90/89/86/386908986.db2.gz UWXJNDWKRDFADV-UHFFFAOYSA-N 1 2 234.299 0.886 20 0 BCADLO Cc1cnn(C)c1C[N@@H+]1CC(=O)NCC1(C)C ZINC000335767939 386911079 /nfs/dbraw/zinc/91/10/79/386911079.db2.gz HAULFJBMOUMRGP-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cnn(C)c1C[N@H+]1CC(=O)NCC1(C)C ZINC000335767939 386911081 /nfs/dbraw/zinc/91/10/81/386911081.db2.gz HAULFJBMOUMRGP-UHFFFAOYSA-N 1 2 236.319 0.439 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cnccn1 ZINC000330843706 386911516 /nfs/dbraw/zinc/91/15/16/386911516.db2.gz JPIMMCHAYVUMTP-LLVKDONJSA-N 1 2 223.276 0.248 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cnccn1 ZINC000330843706 386911521 /nfs/dbraw/zinc/91/15/21/386911521.db2.gz JPIMMCHAYVUMTP-LLVKDONJSA-N 1 2 223.276 0.248 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000334819219 386946631 /nfs/dbraw/zinc/94/66/31/386946631.db2.gz SEYYLEAUPVKZHR-VIFPVBQESA-N 1 2 202.273 0.897 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000334819219 386946634 /nfs/dbraw/zinc/94/66/34/386946634.db2.gz SEYYLEAUPVKZHR-VIFPVBQESA-N 1 2 202.273 0.897 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000336763454 386947293 /nfs/dbraw/zinc/94/72/93/386947293.db2.gz MFPCJHOXNGCSSH-ZCFIWIBFSA-N 1 2 243.225 0.841 20 0 BCADLO CC(F)(F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367964643 386923201 /nfs/dbraw/zinc/92/32/01/386923201.db2.gz WFSDGACGIHEYHJ-SECBINFHSA-N 1 2 248.273 0.575 20 0 BCADLO CSC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000331906531 386924348 /nfs/dbraw/zinc/92/43/48/386924348.db2.gz KFJBSPCBNFILAD-UHFFFAOYSA-N 1 2 211.290 0.922 20 0 BCADLO CSC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000331906531 386924352 /nfs/dbraw/zinc/92/43/52/386924352.db2.gz KFJBSPCBNFILAD-UHFFFAOYSA-N 1 2 211.290 0.922 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccoc1 ZINC000330943545 386924720 /nfs/dbraw/zinc/92/47/20/386924720.db2.gz HRGKTFQBRVGQON-ZETCQYMHSA-N 1 2 225.248 0.709 20 0 BCADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccoc1 ZINC000330943545 386924724 /nfs/dbraw/zinc/92/47/24/386924724.db2.gz HRGKTFQBRVGQON-ZETCQYMHSA-N 1 2 225.248 0.709 20 0 BCADLO COC(=O)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC000052396037 386925193 /nfs/dbraw/zinc/92/51/93/386925193.db2.gz GVWHBSSGKJHXFX-UHFFFAOYSA-N 1 2 239.275 0.763 20 0 BCADLO CC(C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330937404 386925972 /nfs/dbraw/zinc/92/59/72/386925972.db2.gz ALLIQPZOAGCOEM-UHFFFAOYSA-N 1 2 225.292 0.574 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC1 ZINC000341552365 386926370 /nfs/dbraw/zinc/92/63/70/386926370.db2.gz QIAQEBKQWIERNM-NSHDSACASA-N 1 2 240.351 0.038 20 0 BCADLO CC[C@H](O)CNC(=O)NCc1[nH+]ccn1CC ZINC000645525744 386928980 /nfs/dbraw/zinc/92/89/80/386928980.db2.gz ALNODBALZJFEAX-VIFPVBQESA-N 1 2 240.307 0.473 20 0 BCADLO CC[C@@H](O)CNC(=O)NCc1[nH+]ccn1CC ZINC000645525742 386929021 /nfs/dbraw/zinc/92/90/21/386929021.db2.gz ALNODBALZJFEAX-SECBINFHSA-N 1 2 240.307 0.473 20 0 BCADLO CN(CC(N)=O)c1cc(NCC2CC2)[nH+]cn1 ZINC000302712063 386931073 /nfs/dbraw/zinc/93/10/73/386931073.db2.gz DTKPTQSZRZEMKK-UHFFFAOYSA-N 1 2 235.291 0.220 20 0 BCADLO CN(CC(N)=O)c1cc(NCC2CC2)nc[nH+]1 ZINC000302712063 386931078 /nfs/dbraw/zinc/93/10/78/386931078.db2.gz DTKPTQSZRZEMKK-UHFFFAOYSA-N 1 2 235.291 0.220 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000116272237 386931648 /nfs/dbraw/zinc/93/16/48/386931648.db2.gz FQERIRDGJRORJX-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000116272237 386931652 /nfs/dbraw/zinc/93/16/52/386931652.db2.gz FQERIRDGJRORJX-VHSXEESVSA-N 1 2 212.293 0.328 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000330917671 386932656 /nfs/dbraw/zinc/93/26/56/386932656.db2.gz MDZIHAOZTYLRHX-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000330917671 386932660 /nfs/dbraw/zinc/93/26/60/386932660.db2.gz MDZIHAOZTYLRHX-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330987548 386939850 /nfs/dbraw/zinc/93/98/50/386939850.db2.gz RFPQQRQXJHACBD-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330987548 386939854 /nfs/dbraw/zinc/93/98/54/386939854.db2.gz RFPQQRQXJHACBD-BDAKNGLRSA-N 1 2 237.303 0.717 20 0 BCADLO Cn1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cn1 ZINC000330985730 386940079 /nfs/dbraw/zinc/94/00/79/386940079.db2.gz WRIUJHHMZYKYPV-UHFFFAOYSA-N 1 2 247.302 0.737 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC000332043863 386947924 /nfs/dbraw/zinc/94/79/24/386947924.db2.gz UUDRPOPCIGYFRR-MRVPVSSYSA-N 1 2 234.321 0.421 20 0 BCADLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC000332043863 386947927 /nfs/dbraw/zinc/94/79/27/386947927.db2.gz UUDRPOPCIGYFRR-MRVPVSSYSA-N 1 2 234.321 0.421 20 0 BCADLO CC(C)(C(=O)NC[C@@H]1CCCO1)c1c[nH]c[nH+]1 ZINC000330982000 386940360 /nfs/dbraw/zinc/94/03/60/386940360.db2.gz XLTHDTSIDIRQMW-VIFPVBQESA-N 1 2 237.303 0.983 20 0 BCADLO COC[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000358362065 386940872 /nfs/dbraw/zinc/94/08/72/386940872.db2.gz WUTJGLNXIPMVEG-QMMMGPOBSA-N 1 2 224.260 0.820 20 0 BCADLO CC(C)(C(=O)NC[C@H]1CCCO1)c1c[nH]c[nH+]1 ZINC000330981999 386941160 /nfs/dbraw/zinc/94/11/60/386941160.db2.gz XLTHDTSIDIRQMW-SECBINFHSA-N 1 2 237.303 0.983 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)N1CC(F)C1 ZINC000332010615 386941320 /nfs/dbraw/zinc/94/13/20/386941320.db2.gz KDVHFSZCZSEXRH-UHFFFAOYSA-N 1 2 212.228 0.283 20 0 BCADLO COC(=O)C[N@H+](C)CCOCC1CCC1 ZINC000341676983 386943258 /nfs/dbraw/zinc/94/32/58/386943258.db2.gz NTQVYTYYONDUHN-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO COC(=O)C[N@@H+](C)CCOCC1CCC1 ZINC000341676983 386943265 /nfs/dbraw/zinc/94/32/65/386943265.db2.gz NTQVYTYYONDUHN-UHFFFAOYSA-N 1 2 215.293 0.908 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000368269292 386955630 /nfs/dbraw/zinc/95/56/30/386955630.db2.gz HSWYBDFVEMLWGD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000368269292 386955632 /nfs/dbraw/zinc/95/56/32/386955632.db2.gz HSWYBDFVEMLWGD-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO COC(=O)[C@H]([NH2+]C1CC(C)(C)C1)[C@@H](C)O ZINC000336763373 386959377 /nfs/dbraw/zinc/95/93/77/386959377.db2.gz OUBFDKYUMYVZKV-VXNVDRBHSA-N 1 2 215.293 0.687 20 0 BCADLO Cc1c[nH+]c(CN2CC(O)(C(F)F)C2)n1C ZINC000425352465 386963472 /nfs/dbraw/zinc/96/34/72/386963472.db2.gz XTBNSOBFVLESLA-UHFFFAOYSA-N 1 2 231.246 0.540 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000358502525 386969716 /nfs/dbraw/zinc/96/97/16/386969716.db2.gz VKVNPUIQHFODRC-QMMMGPOBSA-N 1 2 240.307 0.897 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCCO1 ZINC000332341590 386970550 /nfs/dbraw/zinc/97/05/50/386970550.db2.gz SOAPUKTZFCECBD-VIFPVBQESA-N 1 2 223.276 0.638 20 0 BCADLO CCCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000368427125 386971727 /nfs/dbraw/zinc/97/17/27/386971727.db2.gz ZQJMGVBTVCPEPT-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO CCCCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000368427125 386971732 /nfs/dbraw/zinc/97/17/32/386971732.db2.gz ZQJMGVBTVCPEPT-LLVKDONJSA-N 1 2 228.336 0.966 20 0 BCADLO O=S1(=O)CCCN(c2cccc[nH+]2)CC1 ZINC000368542454 386983729 /nfs/dbraw/zinc/98/37/29/386983729.db2.gz GHYAHCAPKCARQD-UHFFFAOYSA-N 1 2 226.301 0.707 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368529285 386983917 /nfs/dbraw/zinc/98/39/17/386983917.db2.gz ZTBMUYITNKJENF-VHSXEESVSA-N 1 2 222.292 0.426 20 0 BCADLO Cn1ncnc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368529285 386983921 /nfs/dbraw/zinc/98/39/21/386983921.db2.gz ZTBMUYITNKJENF-VHSXEESVSA-N 1 2 222.292 0.426 20 0 BCADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccn(C)n1 ZINC000331185018 386984484 /nfs/dbraw/zinc/98/44/84/386984484.db2.gz TXWPEVXEMBRQIK-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccn(C)n1 ZINC000331185018 386984492 /nfs/dbraw/zinc/98/44/92/386984492.db2.gz TXWPEVXEMBRQIK-ZYHUDNBSSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccn(C)n1 ZINC000331185016 386984668 /nfs/dbraw/zinc/98/46/68/386984668.db2.gz TXWPEVXEMBRQIK-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccn(C)n1 ZINC000331185016 386984674 /nfs/dbraw/zinc/98/46/74/386984674.db2.gz TXWPEVXEMBRQIK-PWSUYJOCSA-N 1 2 239.319 0.392 20 0 BCADLO CCC[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000304404648 386985301 /nfs/dbraw/zinc/98/53/01/386985301.db2.gz BHTPMAYADVKNTG-JTQLQIEISA-N 1 2 225.296 0.725 20 0 BCADLO CCC[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000304404648 386985302 /nfs/dbraw/zinc/98/53/02/386985302.db2.gz BHTPMAYADVKNTG-JTQLQIEISA-N 1 2 225.296 0.725 20 0 BCADLO Cc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)no1 ZINC000331193517 386987145 /nfs/dbraw/zinc/98/71/45/386987145.db2.gz XYUGHAXIJZQXQI-CMPLNLGQSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)no1 ZINC000331193517 386987148 /nfs/dbraw/zinc/98/71/48/386987148.db2.gz XYUGHAXIJZQXQI-CMPLNLGQSA-N 1 2 240.303 0.955 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353017055 386988796 /nfs/dbraw/zinc/98/87/96/386988796.db2.gz BMYLWNNKLSCCSW-ZETCQYMHSA-N 1 2 247.249 0.271 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353017055 386988801 /nfs/dbraw/zinc/98/88/01/386988801.db2.gz BMYLWNNKLSCCSW-ZETCQYMHSA-N 1 2 247.249 0.271 20 0 BCADLO COC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353011451 386990333 /nfs/dbraw/zinc/99/03/33/386990333.db2.gz ZGTOWDRMXOHBRA-ZETCQYMHSA-N 1 2 223.219 0.721 20 0 BCADLO COC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353011451 386990335 /nfs/dbraw/zinc/99/03/35/386990335.db2.gz ZGTOWDRMXOHBRA-ZETCQYMHSA-N 1 2 223.219 0.721 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332599876 386992393 /nfs/dbraw/zinc/99/23/93/386992393.db2.gz AOUMWCJEAGAVPE-JTQLQIEISA-N 1 2 243.332 0.337 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332599876 386992398 /nfs/dbraw/zinc/99/23/98/386992398.db2.gz AOUMWCJEAGAVPE-JTQLQIEISA-N 1 2 243.332 0.337 20 0 BCADLO CCn1c[nH+]cc1CN[C@@H](C(=O)OC)C1CC1 ZINC000418018863 386992970 /nfs/dbraw/zinc/99/29/70/386992970.db2.gz VXJJTPKNBNRKTF-LLVKDONJSA-N 1 2 237.303 0.944 20 0 BCADLO CC(C)CO[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332628542 386995018 /nfs/dbraw/zinc/99/50/18/386995018.db2.gz HRNWRTGJHXPADD-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332628542 386995029 /nfs/dbraw/zinc/99/50/29/386995029.db2.gz HRNWRTGJHXPADD-SNVBAGLBSA-N 1 2 239.323 0.457 20 0 BCADLO CC[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330356637 386995775 /nfs/dbraw/zinc/99/57/75/386995775.db2.gz RVKVNUOWSXFCEX-DTWKUNHWSA-N 1 2 248.286 0.733 20 0 BCADLO Cc1nocc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332633813 386996122 /nfs/dbraw/zinc/99/61/22/386996122.db2.gz ITLRIOVCKHVWBO-JTQLQIEISA-N 1 2 244.316 0.602 20 0 BCADLO Cc1nocc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000332633813 386996129 /nfs/dbraw/zinc/99/61/29/386996129.db2.gz ITLRIOVCKHVWBO-JTQLQIEISA-N 1 2 244.316 0.602 20 0 BCADLO COc1cc(C[N@@H+]2CCn3cnnc3C2)ccn1 ZINC000332624597 386996790 /nfs/dbraw/zinc/99/67/90/386996790.db2.gz XOSLWYLEKGYROF-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO COc1cc(C[N@H+]2CCn3cnnc3C2)ccn1 ZINC000332624597 386996796 /nfs/dbraw/zinc/99/67/96/386996796.db2.gz XOSLWYLEKGYROF-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000358756344 387008648 /nfs/dbraw/zinc/00/86/48/387008648.db2.gz XJSRAVMEXPPHOQ-POYBYMJQSA-N 1 2 213.306 0.659 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000358756344 387008650 /nfs/dbraw/zinc/00/86/50/387008650.db2.gz XJSRAVMEXPPHOQ-POYBYMJQSA-N 1 2 213.306 0.659 20 0 BCADLO CC[N@H+](CCn1cc(C)cn1)Cc1cn(C)nn1 ZINC000341900498 386997276 /nfs/dbraw/zinc/99/72/76/386997276.db2.gz AGPUYKYPVYTETE-UHFFFAOYSA-N 1 2 248.334 0.842 20 0 BCADLO CC[N@@H+](CCn1cc(C)cn1)Cc1cn(C)nn1 ZINC000341900498 386997278 /nfs/dbraw/zinc/99/72/78/386997278.db2.gz AGPUYKYPVYTETE-UHFFFAOYSA-N 1 2 248.334 0.842 20 0 BCADLO COC[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CCCO1 ZINC000331254041 386998195 /nfs/dbraw/zinc/99/81/95/386998195.db2.gz WKWSRDABXTWXCR-MNOVXSKESA-N 1 2 237.303 0.760 20 0 BCADLO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368639760 386998092 /nfs/dbraw/zinc/99/80/92/386998092.db2.gz XNYZWSBGVFEDPD-OUAUKWLOSA-N 1 2 229.320 0.636 20 0 BCADLO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368639760 386998096 /nfs/dbraw/zinc/99/80/96/386998096.db2.gz XNYZWSBGVFEDPD-OUAUKWLOSA-N 1 2 229.320 0.636 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000332665350 386998879 /nfs/dbraw/zinc/99/88/79/386998879.db2.gz CQEXQZASHVORFI-QMMMGPOBSA-N 1 2 226.280 0.356 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000332665350 386998884 /nfs/dbraw/zinc/99/88/84/386998884.db2.gz CQEXQZASHVORFI-QMMMGPOBSA-N 1 2 226.280 0.356 20 0 BCADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C2)[nH]1 ZINC000332679456 387001207 /nfs/dbraw/zinc/00/12/07/387001207.db2.gz SMXXTMPVPLDGAY-QMMMGPOBSA-N 1 2 210.281 0.495 20 0 BCADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C2)[nH]1 ZINC000332679456 387001216 /nfs/dbraw/zinc/00/12/16/387001216.db2.gz SMXXTMPVPLDGAY-QMMMGPOBSA-N 1 2 210.281 0.495 20 0 BCADLO Cn1cnc2c1CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000368689659 387002642 /nfs/dbraw/zinc/00/26/42/387002642.db2.gz PXCMWTVPJNDPAA-JTQLQIEISA-N 1 2 221.304 0.957 20 0 BCADLO Cn1cnc2c1CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000368689659 387002645 /nfs/dbraw/zinc/00/26/45/387002645.db2.gz PXCMWTVPJNDPAA-JTQLQIEISA-N 1 2 221.304 0.957 20 0 BCADLO Cn1c[nH+]c2c1CCN(C[C@@H]1CCCO1)C2 ZINC000368689659 387002650 /nfs/dbraw/zinc/00/26/50/387002650.db2.gz PXCMWTVPJNDPAA-JTQLQIEISA-N 1 2 221.304 0.957 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331318567 387003638 /nfs/dbraw/zinc/00/36/38/387003638.db2.gz ZLXNWDSMKAYJNN-BDAKNGLRSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331318567 387003643 /nfs/dbraw/zinc/00/36/43/387003643.db2.gz ZLXNWDSMKAYJNN-BDAKNGLRSA-N 1 2 238.291 0.546 20 0 BCADLO COC(=O)CC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000514586626 387003768 /nfs/dbraw/zinc/00/37/68/387003768.db2.gz GFKOYNWDRGXOID-NSHDSACASA-N 1 2 229.276 0.481 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000368697704 387004340 /nfs/dbraw/zinc/00/43/40/387004340.db2.gz AVDXYZLKMLRKRZ-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOCC2(CCC2)C1 ZINC000368697704 387004343 /nfs/dbraw/zinc/00/43/43/387004343.db2.gz AVDXYZLKMLRKRZ-UHFFFAOYSA-N 1 2 247.360 0.534 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCC[C@]12CCOC2 ZINC000341979867 387004622 /nfs/dbraw/zinc/00/46/22/387004622.db2.gz YRVCNIIHUCEIRI-GFCCVEGCSA-N 1 2 249.318 0.763 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCC[C@]12CCOC2 ZINC000341979867 387004629 /nfs/dbraw/zinc/00/46/29/387004629.db2.gz YRVCNIIHUCEIRI-GFCCVEGCSA-N 1 2 249.318 0.763 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCO1 ZINC000334929733 387004942 /nfs/dbraw/zinc/00/49/42/387004942.db2.gz GZDMDIARESHMKX-VIFPVBQESA-N 1 2 221.260 0.609 20 0 BCADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000334929180 387004952 /nfs/dbraw/zinc/00/49/52/387004952.db2.gz MNPBIBLOVCHDDK-UHFFFAOYSA-N 1 2 239.319 0.854 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCOCC2(CCC2)C1 ZINC000368698230 387005204 /nfs/dbraw/zinc/00/52/04/387005204.db2.gz JZOWELQTWJPUPF-JTQLQIEISA-N 1 2 225.288 0.804 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCOCC2(CCC2)C1 ZINC000368698230 387005213 /nfs/dbraw/zinc/00/52/13/387005213.db2.gz JZOWELQTWJPUPF-JTQLQIEISA-N 1 2 225.288 0.804 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H](C)c2nnnn2C)CCCO1 ZINC000333373426 387031400 /nfs/dbraw/zinc/03/14/00/387031400.db2.gz ZNSLHZWYERIPSF-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@H]1C[N@H+]([C@H](C)c2nnnn2C)CCCO1 ZINC000333373426 387031402 /nfs/dbraw/zinc/03/14/02/387031402.db2.gz ZNSLHZWYERIPSF-ZJUUUORDSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CCCO1 ZINC000333373424 387031408 /nfs/dbraw/zinc/03/14/08/387031408.db2.gz ZNSLHZWYERIPSF-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO CC[C@H]1C[N@H+]([C@@H](C)c2nnnn2C)CCCO1 ZINC000333373424 387031412 /nfs/dbraw/zinc/03/14/12/387031412.db2.gz ZNSLHZWYERIPSF-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO c1cn([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)nn1 ZINC000333392767 387032646 /nfs/dbraw/zinc/03/26/46/387032646.db2.gz DGMNUPXNJKHORC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO c1cn([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)nn1 ZINC000333392767 387032649 /nfs/dbraw/zinc/03/26/49/387032649.db2.gz DGMNUPXNJKHORC-NSHDSACASA-N 1 2 232.291 0.838 20 0 BCADLO CCC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC000519207572 387032709 /nfs/dbraw/zinc/03/27/09/387032709.db2.gz OHQONZOZUNDYSM-SNVBAGLBSA-N 1 2 225.292 0.240 20 0 BCADLO CO[C@H](C[N@@H+]1CCN2C(=O)N=NC2C1)C1CC1 ZINC000333453274 387037398 /nfs/dbraw/zinc/03/73/98/387037398.db2.gz ZCKLXRQFSQRWLH-SECBINFHSA-N 1 2 238.291 0.224 20 0 BCADLO CO[C@H](C[N@H+]1CCN2C(=O)N=NC2C1)C1CC1 ZINC000333453274 387037400 /nfs/dbraw/zinc/03/74/00/387037400.db2.gz ZCKLXRQFSQRWLH-SECBINFHSA-N 1 2 238.291 0.224 20 0 BCADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000369482702 387051286 /nfs/dbraw/zinc/05/12/86/387051286.db2.gz DAKNUDZQEUAKKB-JTQLQIEISA-N 1 2 236.319 0.816 20 0 BCADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000369482702 387051288 /nfs/dbraw/zinc/05/12/88/387051288.db2.gz DAKNUDZQEUAKKB-JTQLQIEISA-N 1 2 236.319 0.816 20 0 BCADLO CCCCOCC(=O)NCC[NH+]1CCOCC1 ZINC000118303679 387052220 /nfs/dbraw/zinc/05/22/20/387052220.db2.gz MHSNMNDPBFSWAZ-UHFFFAOYSA-N 1 2 244.335 0.252 20 0 BCADLO COC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000118534142 387057948 /nfs/dbraw/zinc/05/79/48/387057948.db2.gz LFPITYFQVHVRDD-JGVFFNPUSA-N 1 2 203.307 0.985 20 0 BCADLO COC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118534142 387057954 /nfs/dbraw/zinc/05/79/54/387057954.db2.gz LFPITYFQVHVRDD-JGVFFNPUSA-N 1 2 203.307 0.985 20 0 BCADLO CCN(C)C(=O)C[NH2+]Cc1ccn(C(F)F)n1 ZINC000359148777 387059900 /nfs/dbraw/zinc/05/99/00/387059900.db2.gz UYLZXQLXOCHGEV-UHFFFAOYSA-N 1 2 246.261 0.846 20 0 BCADLO C[N@@H+](CC(=O)NC1CC1)C[C@H](O)C(F)(F)F ZINC000305767978 387063654 /nfs/dbraw/zinc/06/36/54/387063654.db2.gz IJMPMZDPDQFYFG-ZETCQYMHSA-N 1 2 240.225 0.120 20 0 BCADLO C[N@H+](CC(=O)NC1CC1)C[C@H](O)C(F)(F)F ZINC000305767978 387063662 /nfs/dbraw/zinc/06/36/62/387063662.db2.gz IJMPMZDPDQFYFG-ZETCQYMHSA-N 1 2 240.225 0.120 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000368795479 387013202 /nfs/dbraw/zinc/01/32/02/387013202.db2.gz FBNUZNWUMSDMTP-JTQLQIEISA-N 1 2 235.287 0.304 20 0 BCADLO Cn1ncnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368841832 387016082 /nfs/dbraw/zinc/01/60/82/387016082.db2.gz HGGMOYMFONOCRV-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO Cn1ncnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000368841832 387016087 /nfs/dbraw/zinc/01/60/87/387016087.db2.gz HGGMOYMFONOCRV-UHFFFAOYSA-N 1 2 236.319 0.818 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000526116501 387016369 /nfs/dbraw/zinc/01/63/69/387016369.db2.gz NYDPQSBADPJWMY-QMMMGPOBSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000526116501 387016371 /nfs/dbraw/zinc/01/63/71/387016371.db2.gz NYDPQSBADPJWMY-QMMMGPOBSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000526116501 387016374 /nfs/dbraw/zinc/01/63/74/387016374.db2.gz NYDPQSBADPJWMY-QMMMGPOBSA-N 1 2 226.280 0.082 20 0 BCADLO COC[C@@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000526116501 387016377 /nfs/dbraw/zinc/01/63/77/387016377.db2.gz NYDPQSBADPJWMY-QMMMGPOBSA-N 1 2 226.280 0.082 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)nn1 ZINC000333139383 387017917 /nfs/dbraw/zinc/01/79/17/387017917.db2.gz KRUHRLQQRANCLJ-UHFFFAOYSA-N 1 2 234.303 0.607 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000331362212 387019404 /nfs/dbraw/zinc/01/94/04/387019404.db2.gz ZYYRINIPBZXTRS-JGVFFNPUSA-N 1 2 240.307 0.915 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000331362212 387019408 /nfs/dbraw/zinc/01/94/08/387019408.db2.gz ZYYRINIPBZXTRS-JGVFFNPUSA-N 1 2 240.307 0.915 20 0 BCADLO CCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000358838275 387020021 /nfs/dbraw/zinc/02/00/21/387020021.db2.gz YGGPNQNVKPLSGM-UHFFFAOYSA-N 1 2 210.281 0.990 20 0 BCADLO CCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000358838275 387020025 /nfs/dbraw/zinc/02/00/25/387020025.db2.gz YGGPNQNVKPLSGM-UHFFFAOYSA-N 1 2 210.281 0.990 20 0 BCADLO CCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000358838275 387020030 /nfs/dbraw/zinc/02/00/30/387020030.db2.gz YGGPNQNVKPLSGM-UHFFFAOYSA-N 1 2 210.281 0.990 20 0 BCADLO CCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000358838275 387020033 /nfs/dbraw/zinc/02/00/33/387020033.db2.gz YGGPNQNVKPLSGM-UHFFFAOYSA-N 1 2 210.281 0.990 20 0 BCADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000358836419 387020538 /nfs/dbraw/zinc/02/05/38/387020538.db2.gz XOXGXCSXWNHHIN-POYBYMJQSA-N 1 2 213.306 0.802 20 0 BCADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000358836419 387020547 /nfs/dbraw/zinc/02/05/47/387020547.db2.gz XOXGXCSXWNHHIN-POYBYMJQSA-N 1 2 213.306 0.802 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C)C1 ZINC000519178973 387028530 /nfs/dbraw/zinc/02/85/30/387028530.db2.gz SIAFYDZTPDWHIG-VHSXEESVSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C)C1 ZINC000519178973 387028534 /nfs/dbraw/zinc/02/85/34/387028534.db2.gz SIAFYDZTPDWHIG-VHSXEESVSA-N 1 2 237.303 0.836 20 0 BCADLO COc1ncncc1C[N@H+](C)C1CC(O)C1 ZINC000648023903 387028562 /nfs/dbraw/zinc/02/85/62/387028562.db2.gz PTXSBIALYATCEL-UHFFFAOYSA-N 1 2 223.276 0.440 20 0 BCADLO COc1ncncc1C[N@@H+](C)C1CC(O)C1 ZINC000648023903 387028566 /nfs/dbraw/zinc/02/85/66/387028566.db2.gz PTXSBIALYATCEL-UHFFFAOYSA-N 1 2 223.276 0.440 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334981804 387069443 /nfs/dbraw/zinc/06/94/43/387069443.db2.gz VWNVZDBQTSLIIO-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334981804 387069446 /nfs/dbraw/zinc/06/94/46/387069446.db2.gz VWNVZDBQTSLIIO-SNVBAGLBSA-N 1 2 212.293 0.185 20 0 BCADLO COc1cc(C)c(C[N@H+](C)CC(N)=O)c(C)n1 ZINC000359224719 387069476 /nfs/dbraw/zinc/06/94/76/387069476.db2.gz IZEVFZLFKIYXOP-UHFFFAOYSA-N 1 2 237.303 0.624 20 0 BCADLO COc1cc(C)c(C[N@@H+](C)CC(N)=O)c(C)n1 ZINC000359224719 387069480 /nfs/dbraw/zinc/06/94/80/387069480.db2.gz IZEVFZLFKIYXOP-UHFFFAOYSA-N 1 2 237.303 0.624 20 0 BCADLO O=C1CCCN1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000111226640 387070085 /nfs/dbraw/zinc/07/00/85/387070085.db2.gz NNDWFTVMURTWGG-UHFFFAOYSA-N 1 2 248.330 0.997 20 0 BCADLO O=C1CCCN1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111226640 387070088 /nfs/dbraw/zinc/07/00/88/387070088.db2.gz NNDWFTVMURTWGG-UHFFFAOYSA-N 1 2 248.330 0.997 20 0 BCADLO Cc1noc(C)c1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000336236704 387073109 /nfs/dbraw/zinc/07/31/09/387073109.db2.gz URSRPOLFHGOUDV-QMMMGPOBSA-N 1 2 237.303 0.654 20 0 BCADLO Cc1noc(C)c1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000336236704 387073113 /nfs/dbraw/zinc/07/31/13/387073113.db2.gz URSRPOLFHGOUDV-QMMMGPOBSA-N 1 2 237.303 0.654 20 0 BCADLO CCn1c[nH+]cc1CN(C)[C@H](C)C(=O)OC ZINC000418042337 387073720 /nfs/dbraw/zinc/07/37/20/387073720.db2.gz KTQRFIBNAUFIGK-SECBINFHSA-N 1 2 225.292 0.896 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)OC)C[C@]2(CCOC2)O1 ZINC000369876841 387073788 /nfs/dbraw/zinc/07/37/88/387073788.db2.gz DEMMKFFMQCJETM-JQWIXIFHSA-N 1 2 243.303 0.429 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)OC)C[C@]2(CCOC2)O1 ZINC000369876841 387073791 /nfs/dbraw/zinc/07/37/91/387073791.db2.gz DEMMKFFMQCJETM-JQWIXIFHSA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+](Cc1cc(C)nn1C)C1COC1 ZINC000418061478 387079107 /nfs/dbraw/zinc/07/91/07/387079107.db2.gz AWROGQBGKJZEJO-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC[N@@H+](Cc1cc(C)nn1C)C1COC1 ZINC000418061478 387079113 /nfs/dbraw/zinc/07/91/13/387079113.db2.gz AWROGQBGKJZEJO-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000066563170 387085662 /nfs/dbraw/zinc/08/56/62/387085662.db2.gz OAYQVELYHGWLMN-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000066563170 387085666 /nfs/dbraw/zinc/08/56/66/387085666.db2.gz OAYQVELYHGWLMN-VIFPVBQESA-N 1 2 241.335 0.241 20 0 BCADLO CC(C)(C)C(=O)NCC(=O)NCc1[nH]cc[nH+]1 ZINC000070991792 387086164 /nfs/dbraw/zinc/08/61/64/387086164.db2.gz DBUMHYISLOTTEH-UHFFFAOYSA-N 1 2 238.291 0.188 20 0 BCADLO CCN(C)C(=O)C[NH+]1CCN(CC(F)F)CC1 ZINC000352334596 387089315 /nfs/dbraw/zinc/08/93/15/387089315.db2.gz HBHHTMJKDWVIEU-UHFFFAOYSA-N 1 2 249.305 0.347 20 0 BCADLO CSC[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000066815639 387089609 /nfs/dbraw/zinc/08/96/09/387089609.db2.gz GHFPFQAEBSISMI-SNVBAGLBSA-N 1 2 246.376 0.434 20 0 BCADLO CCSCC[NH+]1CCS(=O)CC1 ZINC000119027679 387090114 /nfs/dbraw/zinc/09/01/14/387090114.db2.gz GGMHJUNCAZQLTG-UHFFFAOYSA-N 1 2 207.364 0.804 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259599 387091096 /nfs/dbraw/zinc/09/10/96/387091096.db2.gz NKXXQCCIRDAYGM-JGVFFNPUSA-N 1 2 200.257 0.697 20 0 BCADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259599 387091097 /nfs/dbraw/zinc/09/10/97/387091097.db2.gz NKXXQCCIRDAYGM-JGVFFNPUSA-N 1 2 200.257 0.697 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOCC1CC1 ZINC000119452492 387131427 /nfs/dbraw/zinc/13/14/27/387131427.db2.gz XPQKZOLCSHJPKO-MNOVXSKESA-N 1 2 243.303 0.021 20 0 BCADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOCC1CC1 ZINC000119452492 387131433 /nfs/dbraw/zinc/13/14/33/387131433.db2.gz XPQKZOLCSHJPKO-MNOVXSKESA-N 1 2 243.303 0.021 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334195 387105708 /nfs/dbraw/zinc/10/57/08/387105708.db2.gz ZAECVBUWMDRKMT-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334195 387105711 /nfs/dbraw/zinc/10/57/11/387105711.db2.gz ZAECVBUWMDRKMT-VHSXEESVSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334197 387105898 /nfs/dbraw/zinc/10/58/98/387105898.db2.gz ZAECVBUWMDRKMT-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334197 387105903 /nfs/dbraw/zinc/10/59/03/387105903.db2.gz ZAECVBUWMDRKMT-UWVGGRQHSA-N 1 2 241.335 0.112 20 0 BCADLO Cn1c(C[N@H+](C)CC(C)(C)O)nnc1C1CC1 ZINC000112633576 387107758 /nfs/dbraw/zinc/10/77/58/387107758.db2.gz KBNNJSCHLCRTEQ-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO Cn1c(C[N@@H+](C)CC(C)(C)O)nnc1C1CC1 ZINC000112633576 387107760 /nfs/dbraw/zinc/10/77/60/387107760.db2.gz KBNNJSCHLCRTEQ-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO COc1cc(C(=O)N2CCn3c[nH+]cc3C2)on1 ZINC000359473983 387108616 /nfs/dbraw/zinc/10/86/16/387108616.db2.gz GHSKCBOWJGIHRG-UHFFFAOYSA-N 1 2 248.242 0.536 20 0 BCADLO Cn1nnnc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000359521272 387115325 /nfs/dbraw/zinc/11/53/25/387115325.db2.gz LZYIDIITKODBPD-JTQLQIEISA-N 1 2 233.275 0.033 20 0 BCADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](O)C1 ZINC000370428087 387117213 /nfs/dbraw/zinc/11/72/13/387117213.db2.gz LUGOSJRPNSYNLH-GHMZBOCLSA-N 1 2 249.314 0.429 20 0 BCADLO CC[C@@H]([NH2+]CCc1ccn(C)n1)C(=O)OC ZINC000228728366 387124634 /nfs/dbraw/zinc/12/46/34/387124634.db2.gz KGBGIRTULRCXFX-SNVBAGLBSA-N 1 2 225.292 0.504 20 0 BCADLO CS(=O)(=O)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000359568150 387125482 /nfs/dbraw/zinc/12/54/82/387125482.db2.gz BGWFRTUKPITYNI-VIFPVBQESA-N 1 2 243.332 0.419 20 0 BCADLO CN(CC[N@H+](C)CCCS(C)(=O)=O)C1CC1 ZINC000186733549 387128671 /nfs/dbraw/zinc/12/86/71/387128671.db2.gz WCWSZDCSDCSEBE-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CN(CC[N@@H+](C)CCCS(C)(=O)=O)C1CC1 ZINC000186733549 387128674 /nfs/dbraw/zinc/12/86/74/387128674.db2.gz WCWSZDCSDCSEBE-UHFFFAOYSA-N 1 2 248.392 0.447 20 0 BCADLO CCOC(=O)CCC[N@H+](C)CC(=O)OC ZINC000057622705 387141943 /nfs/dbraw/zinc/14/19/43/387141943.db2.gz FIHZRNOQGDWWIN-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO CCOC(=O)CCC[N@@H+](C)CC(=O)OC ZINC000057622705 387141947 /nfs/dbraw/zinc/14/19/47/387141947.db2.gz FIHZRNOQGDWWIN-UHFFFAOYSA-N 1 2 217.265 0.435 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000353123247 387142725 /nfs/dbraw/zinc/14/27/25/387142725.db2.gz GJCDQPOMFFCXPL-MRVPVSSYSA-N 1 2 239.275 0.236 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)Cc1cnn(C)c1 ZINC000353154630 387144759 /nfs/dbraw/zinc/14/47/59/387144759.db2.gz NEOFNRFOPZMTGV-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cnn(C)c1 ZINC000353154630 387144762 /nfs/dbraw/zinc/14/47/62/387144762.db2.gz NEOFNRFOPZMTGV-UHFFFAOYSA-N 1 2 225.292 0.804 20 0 BCADLO Cc1cnc(C[N@@H+](C)C2(CO)CC2)nc1 ZINC000353147787 387146047 /nfs/dbraw/zinc/14/60/47/387146047.db2.gz OKGIRZMZLOKZKM-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO Cc1cnc(C[N@H+](C)C2(CO)CC2)nc1 ZINC000353147787 387146053 /nfs/dbraw/zinc/14/60/53/387146053.db2.gz OKGIRZMZLOKZKM-UHFFFAOYSA-N 1 2 207.277 0.742 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2cnnn2C)CCO1 ZINC000353177477 387150443 /nfs/dbraw/zinc/15/04/43/387150443.db2.gz YKEBKQNCGOYJII-NSHDSACASA-N 1 2 224.308 0.672 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2cnnn2C)CCO1 ZINC000353177477 387150444 /nfs/dbraw/zinc/15/04/44/387150444.db2.gz YKEBKQNCGOYJII-NSHDSACASA-N 1 2 224.308 0.672 20 0 BCADLO COC(=O)[C@@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371150470 387155384 /nfs/dbraw/zinc/15/53/84/387155384.db2.gz FMZNIZNFEQZVQO-SECBINFHSA-N 1 2 241.287 0.577 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000336331781 387158780 /nfs/dbraw/zinc/15/87/80/387158780.db2.gz GQXGJUCDOKGLIZ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000336331781 387158785 /nfs/dbraw/zinc/15/87/85/387158785.db2.gz GQXGJUCDOKGLIZ-SECBINFHSA-N 1 2 200.282 0.185 20 0 BCADLO CCCCNC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000371182488 387162943 /nfs/dbraw/zinc/16/29/43/387162943.db2.gz CZHSCRNRFONGCN-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCCNC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000371182488 387162946 /nfs/dbraw/zinc/16/29/46/387162946.db2.gz CZHSCRNRFONGCN-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO C[C@H](CNC(=O)[C@]1(C)C[C@H]1F)[NH+]1CCOCC1 ZINC000424585246 387193172 /nfs/dbraw/zinc/19/31/72/387193172.db2.gz QVKDLZRFLFMDHY-CKYFFXLPSA-N 1 2 244.310 0.571 20 0 BCADLO CN(C)c1cccnc1C[NH2+]Cc1cn(C)nn1 ZINC000353254231 387166627 /nfs/dbraw/zinc/16/66/27/387166627.db2.gz VROBFLRWJIFRTM-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](CO)C1CC1 ZINC000353295848 387173387 /nfs/dbraw/zinc/17/33/87/387173387.db2.gz WKQZEBPMIFUAPP-NSHDSACASA-N 1 2 249.314 0.952 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccno2)[C@H](C)C1 ZINC000336350896 387180530 /nfs/dbraw/zinc/18/05/30/387180530.db2.gz PFKMJOVGRIBPQP-SECBINFHSA-N 1 2 223.276 0.727 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccno2)[C@H](C)C1 ZINC000336350896 387180531 /nfs/dbraw/zinc/18/05/31/387180531.db2.gz PFKMJOVGRIBPQP-SECBINFHSA-N 1 2 223.276 0.727 20 0 BCADLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000336350567 387181324 /nfs/dbraw/zinc/18/13/24/387181324.db2.gz DWYCBNOXMNDPJU-SNVBAGLBSA-N 1 2 223.276 0.612 20 0 BCADLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000336350567 387181327 /nfs/dbraw/zinc/18/13/27/387181327.db2.gz DWYCBNOXMNDPJU-SNVBAGLBSA-N 1 2 223.276 0.612 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(F)C1 ZINC000336356241 387185232 /nfs/dbraw/zinc/18/52/32/387185232.db2.gz CZTIZONWICGZFO-SECBINFHSA-N 1 2 245.298 0.070 20 0 BCADLO C[C@H](CNC(=O)COC(F)F)Cn1cc[nH+]c1 ZINC000353371201 387190146 /nfs/dbraw/zinc/19/01/46/387190146.db2.gz RSNYJLIHSPJDRC-MRVPVSSYSA-N 1 2 247.245 0.875 20 0 BCADLO Cn1c[nH+]cc1CS(=O)(=O)CC1CC1 ZINC000359914715 387190815 /nfs/dbraw/zinc/19/08/15/387190815.db2.gz BKQPDHZPMIVSMR-UHFFFAOYSA-N 1 2 214.290 0.745 20 0 BCADLO COC(=O)CCCC(=O)NCc1c[nH+]c[nH]1 ZINC000359933618 387194118 /nfs/dbraw/zinc/19/41/18/387194118.db2.gz CLDMRRXQJHQZDN-UHFFFAOYSA-N 1 2 225.248 0.369 20 0 BCADLO COC(=O)CCCC(=O)NCc1c[nH]c[nH+]1 ZINC000359933618 387194120 /nfs/dbraw/zinc/19/41/20/387194120.db2.gz CLDMRRXQJHQZDN-UHFFFAOYSA-N 1 2 225.248 0.369 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000359618682 387137110 /nfs/dbraw/zinc/13/71/10/387137110.db2.gz HUXTXIPYMZNUDD-GRYCIOLGSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+](CCn1cccn1)Cc1cn(C)nn1 ZINC000359648473 387139869 /nfs/dbraw/zinc/13/98/69/387139869.db2.gz KDSAVTYKJJXGMC-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO CC[N@@H+](CCn1cccn1)Cc1cn(C)nn1 ZINC000359648473 387139873 /nfs/dbraw/zinc/13/98/73/387139873.db2.gz KDSAVTYKJJXGMC-UHFFFAOYSA-N 1 2 234.307 0.534 20 0 BCADLO COC[C@@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000359987955 387207381 /nfs/dbraw/zinc/20/73/81/387207381.db2.gz WYNDPJYHXFCLKU-MNOVXSKESA-N 1 2 239.319 0.918 20 0 BCADLO CCC[N@H+](CC(=O)N(C)C)Cc1ccnn1C ZINC000092382389 387211251 /nfs/dbraw/zinc/21/12/51/387211251.db2.gz MIQRSMHILSCFLC-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccnn1C ZINC000092382389 387211255 /nfs/dbraw/zinc/21/12/55/387211255.db2.gz MIQRSMHILSCFLC-UHFFFAOYSA-N 1 2 238.335 0.720 20 0 BCADLO CC[C@H]1C[N@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000092486851 387212648 /nfs/dbraw/zinc/21/26/48/387212648.db2.gz COUJBLRSNMLGAP-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H](C)O1 ZINC000092486851 387212651 /nfs/dbraw/zinc/21/26/51/387212651.db2.gz COUJBLRSNMLGAP-ONGXEEELSA-N 1 2 224.308 0.814 20 0 BCADLO Cc1noc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000572055128 387226095 /nfs/dbraw/zinc/22/60/95/387226095.db2.gz DJJQOUFKROHGIN-VIFPVBQESA-N 1 2 238.291 0.431 20 0 BCADLO Cc1noc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000572055128 387226099 /nfs/dbraw/zinc/22/60/99/387226099.db2.gz DJJQOUFKROHGIN-VIFPVBQESA-N 1 2 238.291 0.431 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000230015817 387227095 /nfs/dbraw/zinc/22/70/95/387227095.db2.gz LANDJIYBMRJLAX-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000230015817 387227098 /nfs/dbraw/zinc/22/70/98/387227098.db2.gz LANDJIYBMRJLAX-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO Cc1nnc(C[N@@H+]2CCOCC3(CC3)C2)n1C ZINC000360096762 387227318 /nfs/dbraw/zinc/22/73/18/387227318.db2.gz HTVRHUZAFXGVLO-UHFFFAOYSA-N 1 2 236.319 0.736 20 0 BCADLO Cc1nnc(C[N@H+]2CCOCC3(CC3)C2)n1C ZINC000360096762 387227321 /nfs/dbraw/zinc/22/73/21/387227321.db2.gz HTVRHUZAFXGVLO-UHFFFAOYSA-N 1 2 236.319 0.736 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000353552575 387227900 /nfs/dbraw/zinc/22/79/00/387227900.db2.gz ZBYAOFNSCZWHLK-VIFPVBQESA-N 1 2 211.265 0.897 20 0 BCADLO Cc1noc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000353552575 387227905 /nfs/dbraw/zinc/22/79/05/387227905.db2.gz ZBYAOFNSCZWHLK-VIFPVBQESA-N 1 2 211.265 0.897 20 0 BCADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000284819565 387230164 /nfs/dbraw/zinc/23/01/64/387230164.db2.gz ANMYIMZPBXRDQX-ZETCQYMHSA-N 1 2 226.280 0.354 20 0 BCADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000284819565 387230169 /nfs/dbraw/zinc/23/01/69/387230169.db2.gz ANMYIMZPBXRDQX-ZETCQYMHSA-N 1 2 226.280 0.354 20 0 BCADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2nnc[nH]2)cc[nH+]1 ZINC000371651278 387237069 /nfs/dbraw/zinc/23/70/69/387237069.db2.gz ONNUAANNXLHOMT-UWVGGRQHSA-N 1 2 243.270 0.672 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccnc1C ZINC000188061286 387244477 /nfs/dbraw/zinc/24/44/77/387244477.db2.gz ZEGGDDABPGRPBW-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccnc1C ZINC000188061286 387244480 /nfs/dbraw/zinc/24/44/80/387244480.db2.gz ZEGGDDABPGRPBW-UHFFFAOYSA-N 1 2 207.277 0.697 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ncc[nH]1 ZINC000353650325 387248755 /nfs/dbraw/zinc/24/87/55/387248755.db2.gz VRYBDAKMMXQRFF-BDAKNGLRSA-N 1 2 220.276 0.263 20 0 BCADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ncc[nH]1 ZINC000353650325 387248760 /nfs/dbraw/zinc/24/87/60/387248760.db2.gz VRYBDAKMMXQRFF-BDAKNGLRSA-N 1 2 220.276 0.263 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193309605 387194356 /nfs/dbraw/zinc/19/43/56/387194356.db2.gz JWAULKMNUVMICV-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193309605 387194360 /nfs/dbraw/zinc/19/43/60/387194360.db2.gz JWAULKMNUVMICV-SECBINFHSA-N 1 2 209.297 0.832 20 0 BCADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)n1cccn1 ZINC000424589282 387197022 /nfs/dbraw/zinc/19/70/22/387197022.db2.gz XAVQQQIBIQABPO-NSHDSACASA-N 1 2 247.302 0.847 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nncn1C ZINC000514948843 387312716 /nfs/dbraw/zinc/31/27/16/387312716.db2.gz AUNJDYFQEOCIKD-SSDOTTSWSA-N 1 2 234.263 0.356 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nncn1C ZINC000514948843 387312720 /nfs/dbraw/zinc/31/27/20/387312720.db2.gz AUNJDYFQEOCIKD-SSDOTTSWSA-N 1 2 234.263 0.356 20 0 BCADLO Cc1nc(N(CCO)[C@@H]2CCO[C@H]2C)cc[nH+]1 ZINC000360270043 387254488 /nfs/dbraw/zinc/25/44/88/387254488.db2.gz YZMLWMYQJCBNAU-GXSJLCMTSA-N 1 2 237.303 0.761 20 0 BCADLO CC(C)[N@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000330923763 387261232 /nfs/dbraw/zinc/26/12/32/387261232.db2.gz SPSPGDXQPZVTPS-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO CC(C)[N@@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000330923763 387261236 /nfs/dbraw/zinc/26/12/36/387261236.db2.gz SPSPGDXQPZVTPS-UHFFFAOYSA-N 1 2 241.339 0.631 20 0 BCADLO O=C1OC[C@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000371984995 387263164 /nfs/dbraw/zinc/26/31/64/387263164.db2.gz DEWXZKSJWDBSMZ-MRVPVSSYSA-N 1 2 223.232 0.311 20 0 BCADLO O=C1OC[C@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000371984995 387263167 /nfs/dbraw/zinc/26/31/67/387263167.db2.gz DEWXZKSJWDBSMZ-MRVPVSSYSA-N 1 2 223.232 0.311 20 0 BCADLO c1nc([C@H]2CCC[N@H+]2CCC2OCCO2)no1 ZINC000372046291 387269652 /nfs/dbraw/zinc/26/96/52/387269652.db2.gz AYGHDCISKFYMAK-SECBINFHSA-N 1 2 239.275 0.970 20 0 BCADLO c1nc([C@H]2CCC[N@@H+]2CCC2OCCO2)no1 ZINC000372046291 387269654 /nfs/dbraw/zinc/26/96/54/387269654.db2.gz AYGHDCISKFYMAK-SECBINFHSA-N 1 2 239.275 0.970 20 0 BCADLO Cc1csc(C[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000285435261 387276127 /nfs/dbraw/zinc/27/61/27/387276127.db2.gz FJGDSJXYGYNDTE-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO Cc1csc(C[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000285435261 387276132 /nfs/dbraw/zinc/27/61/32/387276132.db2.gz FJGDSJXYGYNDTE-RKDXNWHRSA-N 1 2 228.317 0.643 20 0 BCADLO CCC[C@@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000231688224 387277797 /nfs/dbraw/zinc/27/77/97/387277797.db2.gz NWBUYVXNFRERPC-GFCCVEGCSA-N 1 2 239.319 0.941 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000195010825 387278385 /nfs/dbraw/zinc/27/83/85/387278385.db2.gz OGNGADUFIZNDTM-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000195010825 387278389 /nfs/dbraw/zinc/27/83/89/387278389.db2.gz OGNGADUFIZNDTM-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO COc1cc[nH+]c(CN2CCn3nncc3C2)c1 ZINC000514737715 387283320 /nfs/dbraw/zinc/28/33/20/387283320.db2.gz KCAUFSLNFAEESH-UHFFFAOYSA-N 1 2 245.286 0.698 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000353871869 387287402 /nfs/dbraw/zinc/28/74/02/387287402.db2.gz ULSFBGWLGOLFHN-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000353871869 387287403 /nfs/dbraw/zinc/28/74/03/387287403.db2.gz ULSFBGWLGOLFHN-LLVKDONJSA-N 1 2 248.330 0.838 20 0 BCADLO Cn1cc[nH+]c1CNc1ccc(CCO)nc1 ZINC000352534994 387291409 /nfs/dbraw/zinc/29/14/09/387291409.db2.gz KXUUWTJEGGRZRZ-UHFFFAOYSA-N 1 2 232.287 0.962 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)[C@H]1CCCNC1=O ZINC000336463850 387293386 /nfs/dbraw/zinc/29/33/86/387293386.db2.gz ZSDVSYDDONJZAW-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)[C@H]1CCCNC1=O ZINC000336463850 387293392 /nfs/dbraw/zinc/29/33/92/387293392.db2.gz ZSDVSYDDONJZAW-VIFPVBQESA-N 1 2 208.265 0.120 20 0 BCADLO CO[C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360600696 387318622 /nfs/dbraw/zinc/31/86/22/387318622.db2.gz XASBXOCXLSFIDQ-DTWKUNHWSA-N 1 2 211.265 0.423 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000514922423 387308516 /nfs/dbraw/zinc/30/85/16/387308516.db2.gz SNHVSCZTXCMJAE-RQJHMYQMSA-N 1 2 223.219 0.861 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000514922423 387308520 /nfs/dbraw/zinc/30/85/20/387308520.db2.gz SNHVSCZTXCMJAE-RQJHMYQMSA-N 1 2 223.219 0.861 20 0 BCADLO C[C@@H](C(=O)NCCCCF)[NH+]1CCN(C)CC1 ZINC000360829797 387356367 /nfs/dbraw/zinc/35/63/67/387356367.db2.gz CXLKZHSKJIFQBM-NSHDSACASA-N 1 2 245.342 0.488 20 0 BCADLO C[C@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CO1 ZINC000526131680 387358833 /nfs/dbraw/zinc/35/88/33/387358833.db2.gz BAKQNHPUPUGERN-VHSXEESVSA-N 1 2 235.287 0.691 20 0 BCADLO COCc1nn(CCCn2cc[nH+]c2)c(=O)o1 ZINC000354317071 387359607 /nfs/dbraw/zinc/35/96/07/387359607.db2.gz PWDRMRMIZBEEDM-UHFFFAOYSA-N 1 2 238.247 0.270 20 0 BCADLO Cn1cc(CC[NH+]2CCS(=O)CC2)cn1 ZINC000354380395 387368459 /nfs/dbraw/zinc/36/84/59/387368459.db2.gz FMWZTYQGDMOSGS-UHFFFAOYSA-N 1 2 227.333 0.027 20 0 BCADLO COC(=O)CCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000360965181 387376079 /nfs/dbraw/zinc/37/60/79/387376079.db2.gz CHLSUDJJHRMADU-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO COC(=O)CCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000360965181 387376083 /nfs/dbraw/zinc/37/60/83/387376083.db2.gz CHLSUDJJHRMADU-BJOHPYRUSA-N 1 2 233.333 0.392 20 0 BCADLO C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372735781 387324367 /nfs/dbraw/zinc/32/43/67/387324367.db2.gz GSKHOKMBVSXAHS-ZJUUUORDSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372735779 387325235 /nfs/dbraw/zinc/32/52/35/387325235.db2.gz GSKHOKMBVSXAHS-UWVGGRQHSA-N 1 2 237.303 0.285 20 0 BCADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000354085732 387328038 /nfs/dbraw/zinc/32/80/38/387328038.db2.gz KNPWMXAFYWVMLI-SECBINFHSA-N 1 2 247.302 0.953 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000372858762 387331726 /nfs/dbraw/zinc/33/17/26/387331726.db2.gz PATQGBSPZJUPKZ-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000372858762 387331732 /nfs/dbraw/zinc/33/17/32/387331732.db2.gz PATQGBSPZJUPKZ-ZETCQYMHSA-N 1 2 247.258 0.388 20 0 BCADLO O=C(Cn1cc[nH+]c1)NCCc1cccc(O)c1 ZINC000515103288 387336519 /nfs/dbraw/zinc/33/65/19/387336519.db2.gz DDBPLQPWIGCHCQ-UHFFFAOYSA-N 1 2 245.282 0.948 20 0 BCADLO COC[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000354139218 387337236 /nfs/dbraw/zinc/33/72/36/387337236.db2.gz QVEKOJGZXMQYNL-UWVGGRQHSA-N 1 2 240.307 0.606 20 0 BCADLO Cn1cnnc1SCc1c[nH+]cn1C ZINC000360706957 387340539 /nfs/dbraw/zinc/34/05/39/387340539.db2.gz FOPWTHNIAKJMLI-UHFFFAOYSA-N 1 2 209.278 0.841 20 0 BCADLO C[NH2+]CCN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000423500095 387340689 /nfs/dbraw/zinc/34/06/89/387340689.db2.gz CTBJCXFIHNTBNO-UHFFFAOYSA-N 1 2 244.241 0.962 20 0 BCADLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)N1CCCC1 ZINC000336516749 387341145 /nfs/dbraw/zinc/34/11/45/387341145.db2.gz MJKNMMSBXXACDP-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)N1CCCC1 ZINC000336516749 387341150 /nfs/dbraw/zinc/34/11/50/387341150.db2.gz MJKNMMSBXXACDP-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(CCn1cc[nH+]c1)N1CC[C@@](O)(C2CC2)C1 ZINC000373239543 387350058 /nfs/dbraw/zinc/35/00/58/387350058.db2.gz DGVLMOZWCLSPAO-ZDUSSCGKSA-N 1 2 249.314 0.647 20 0 BCADLO COC[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000360808963 387351457 /nfs/dbraw/zinc/35/14/57/387351457.db2.gz HOHFJSLTVYAHBQ-LLVKDONJSA-N 1 2 233.271 0.952 20 0 BCADLO CC(=O)N[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000336526980 387351804 /nfs/dbraw/zinc/35/18/04/387351804.db2.gz BPPQCKRXBVHXJK-MRVPVSSYSA-N 1 2 246.270 0.797 20 0 BCADLO C[C@H](CC(=O)Nc1cc[nH+]cc1O)n1cccn1 ZINC000424762526 387352701 /nfs/dbraw/zinc/35/27/01/387352701.db2.gz ZEHAIAPWTYSZLV-SECBINFHSA-N 1 2 246.270 0.995 20 0 BCADLO C[N@H+](CC1(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000525977352 259711074 /nfs/dbraw/zinc/71/10/74/259711074.db2.gz KEYHWGAVNTZLIM-MRVPVSSYSA-N 1 2 221.297 0.607 20 0 BCADLO C[N@@H+](CC1(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000525977352 259711075 /nfs/dbraw/zinc/71/10/75/259711075.db2.gz KEYHWGAVNTZLIM-MRVPVSSYSA-N 1 2 221.297 0.607 20 0 BCADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnn(C)n1 ZINC000352680032 387433984 /nfs/dbraw/zinc/43/39/84/387433984.db2.gz IWGBAHKLIFALOJ-WPCZNGEBSA-N 1 2 249.318 0.065 20 0 BCADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1nnn(C)n1 ZINC000352680032 387433990 /nfs/dbraw/zinc/43/39/90/387433990.db2.gz IWGBAHKLIFALOJ-WPCZNGEBSA-N 1 2 249.318 0.065 20 0 BCADLO C[C@H](O)CCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000354839703 387435465 /nfs/dbraw/zinc/43/54/65/387435465.db2.gz QLLNBSCYVIYOCT-PKFCDNJMSA-N 1 2 219.350 0.600 20 0 BCADLO C[C@H](O)CCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000354839703 387435467 /nfs/dbraw/zinc/43/54/67/387435467.db2.gz QLLNBSCYVIYOCT-PKFCDNJMSA-N 1 2 219.350 0.600 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000354861879 387437711 /nfs/dbraw/zinc/43/77/11/387437711.db2.gz HLXGYLHHWIYINV-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000354861879 387437717 /nfs/dbraw/zinc/43/77/17/387437717.db2.gz HLXGYLHHWIYINV-SSDOTTSWSA-N 1 2 225.248 0.225 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698487 387443551 /nfs/dbraw/zinc/44/35/51/387443551.db2.gz MZUQPPXQYWQAJM-ZJUUUORDSA-N 1 2 240.303 0.101 20 0 BCADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698487 387443554 /nfs/dbraw/zinc/44/35/54/387443554.db2.gz MZUQPPXQYWQAJM-ZJUUUORDSA-N 1 2 240.303 0.101 20 0 BCADLO COc1ncccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352703958 387446635 /nfs/dbraw/zinc/44/66/35/387446635.db2.gz ZNKGFGSIHBZZFG-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO COc1ncccc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352703958 387446639 /nfs/dbraw/zinc/44/66/39/387446639.db2.gz ZNKGFGSIHBZZFG-NSHDSACASA-N 1 2 249.314 0.753 20 0 BCADLO O=C1CC[C@H]2C[N@H+](Cc3cncs3)CCN12 ZINC000336604491 387447543 /nfs/dbraw/zinc/44/75/43/387447543.db2.gz YYDJCNQFGFFQEI-VIFPVBQESA-N 1 2 237.328 0.950 20 0 BCADLO O=C1CC[C@H]2C[N@@H+](Cc3cncs3)CCN12 ZINC000336604491 387447548 /nfs/dbraw/zinc/44/75/48/387447548.db2.gz YYDJCNQFGFFQEI-VIFPVBQESA-N 1 2 237.328 0.950 20 0 BCADLO CCC[C@H]([NH2+]C(C)C)C(=O)N=c1nc[nH]n1C ZINC000354929029 387449019 /nfs/dbraw/zinc/44/90/19/387449019.db2.gz HHSFJUDGFXAGPS-VIFPVBQESA-N 1 2 239.323 0.342 20 0 BCADLO CC[N@H+](CCOCCO)Cc1ncccn1 ZINC000304240083 387451166 /nfs/dbraw/zinc/45/11/66/387451166.db2.gz NORIJKOFGFWDIB-UHFFFAOYSA-N 1 2 225.292 0.307 20 0 BCADLO CC[N@@H+](CCOCCO)Cc1ncccn1 ZINC000304240083 387451168 /nfs/dbraw/zinc/45/11/68/387451168.db2.gz NORIJKOFGFWDIB-UHFFFAOYSA-N 1 2 225.292 0.307 20 0 BCADLO CN(Cc1ccncc1)C(=O)Cn1cc[nH+]c1 ZINC000516125756 387459598 /nfs/dbraw/zinc/45/95/98/387459598.db2.gz OPEGPALXZZJMPI-UHFFFAOYSA-N 1 2 230.271 0.937 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000373676256 387387462 /nfs/dbraw/zinc/38/74/62/387387462.db2.gz NSFVJRHAFCELIH-UTUOFQBUSA-N 1 2 249.314 0.957 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1c1nnc[nH]1 ZINC000361018791 387389392 /nfs/dbraw/zinc/38/93/92/387389392.db2.gz PKKFAESOQCKPPS-IUCAKERBSA-N 1 2 243.270 0.672 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1c1nnc[nH]1 ZINC000361018792 387389441 /nfs/dbraw/zinc/38/94/41/387389441.db2.gz PKKFAESOQCKPPS-RKDXNWHRSA-N 1 2 243.270 0.672 20 0 BCADLO COC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373803933 387396947 /nfs/dbraw/zinc/39/69/47/387396947.db2.gz FUCXBDVIBAFCJA-LBPRGKRZSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373803933 387396952 /nfs/dbraw/zinc/39/69/52/387396952.db2.gz FUCXBDVIBAFCJA-LBPRGKRZSA-N 1 2 243.303 0.429 20 0 BCADLO CN(C)c1noc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000373827198 387398305 /nfs/dbraw/zinc/39/83/05/387398305.db2.gz SDYZIHFYDZTKKE-MRVPVSSYSA-N 1 2 226.280 0.265 20 0 BCADLO CN(C)c1noc([C@H]2CCC[N@H+]2CCO)n1 ZINC000373827198 387398309 /nfs/dbraw/zinc/39/83/09/387398309.db2.gz SDYZIHFYDZTKKE-MRVPVSSYSA-N 1 2 226.280 0.265 20 0 BCADLO CS(=O)(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000367177116 387403133 /nfs/dbraw/zinc/40/31/33/387403133.db2.gz VSWMHGXPXBZACV-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CS(=O)(=O)CC[N@H+]1CCOCC12CCCC2 ZINC000367177116 387403138 /nfs/dbraw/zinc/40/31/38/387403138.db2.gz VSWMHGXPXBZACV-UHFFFAOYSA-N 1 2 247.360 0.676 20 0 BCADLO CCc1ncc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000423740652 387405480 /nfs/dbraw/zinc/40/54/80/387405480.db2.gz JCFHWYWFORQSDN-QMMMGPOBSA-N 1 2 238.316 0.640 20 0 BCADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361417255 387460645 /nfs/dbraw/zinc/46/06/45/387460645.db2.gz VYDAMAALDAIVCS-VIFPVBQESA-N 1 2 239.323 0.599 20 0 BCADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000361417255 387460649 /nfs/dbraw/zinc/46/06/49/387460649.db2.gz VYDAMAALDAIVCS-VIFPVBQESA-N 1 2 239.323 0.599 20 0 BCADLO Cn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000267347201 387410897 /nfs/dbraw/zinc/41/08/97/387410897.db2.gz DZKMNRWDBMCQFG-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO Cn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000267347201 387410902 /nfs/dbraw/zinc/41/09/02/387410902.db2.gz DZKMNRWDBMCQFG-SECBINFHSA-N 1 2 249.236 0.919 20 0 BCADLO CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000336593231 387418723 /nfs/dbraw/zinc/41/87/23/387418723.db2.gz YJZXJZBVYYDWBH-QMMMGPOBSA-N 1 2 235.287 0.420 20 0 BCADLO CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000336593231 387418728 /nfs/dbraw/zinc/41/87/28/387418728.db2.gz YJZXJZBVYYDWBH-QMMMGPOBSA-N 1 2 235.287 0.420 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2n(n1)CCO2 ZINC000515719219 387419737 /nfs/dbraw/zinc/41/97/37/387419737.db2.gz ZGKYKJUPWOIDKA-UHFFFAOYSA-N 1 2 247.258 0.237 20 0 BCADLO Cc1csc2c1C[N@H+](CC(N)=O)CC2 ZINC000374836839 387493669 /nfs/dbraw/zinc/49/36/69/387493669.db2.gz OXTQFMTZBHCLQH-UHFFFAOYSA-N 1 2 210.302 0.900 20 0 BCADLO Cc1csc2c1C[N@@H+](CC(N)=O)CC2 ZINC000374836839 387493671 /nfs/dbraw/zinc/49/36/71/387493671.db2.gz OXTQFMTZBHCLQH-UHFFFAOYSA-N 1 2 210.302 0.900 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@H]2COC[C@H]2O)sc1C ZINC000352805903 387495754 /nfs/dbraw/zinc/49/57/54/387495754.db2.gz SVSIRRYVOHENKP-VHSXEESVSA-N 1 2 242.344 0.951 20 0 BCADLO Cc1nc(C[N@H+](C)[C@H]2COC[C@H]2O)sc1C ZINC000352805903 387495759 /nfs/dbraw/zinc/49/57/59/387495759.db2.gz SVSIRRYVOHENKP-VHSXEESVSA-N 1 2 242.344 0.951 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396843468 387500670 /nfs/dbraw/zinc/50/06/70/387500670.db2.gz IWYIVGMIIAXEKX-YUMQZZPRSA-N 1 2 201.266 0.705 20 0 BCADLO CCOc1cccc(C[N@H+](CC)CC(N)=O)n1 ZINC000355355648 387523007 /nfs/dbraw/zinc/52/30/07/387523007.db2.gz VEENNBLUUURDOG-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CCOc1cccc(C[N@@H+](CC)CC(N)=O)n1 ZINC000355355648 387523012 /nfs/dbraw/zinc/52/30/12/387523012.db2.gz VEENNBLUUURDOG-UHFFFAOYSA-N 1 2 237.303 0.788 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000192709135 387526078 /nfs/dbraw/zinc/52/60/78/387526078.db2.gz MZBXJZGSYCHCBG-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000192709135 387526081 /nfs/dbraw/zinc/52/60/81/387526081.db2.gz MZBXJZGSYCHCBG-VIFPVBQESA-N 1 2 240.307 0.746 20 0 BCADLO CC[C@](C)([NH2+]Cc1ncnn1C(C)C)C(N)=O ZINC000310186197 387536984 /nfs/dbraw/zinc/53/69/84/387536984.db2.gz WCXJQPPAZZPMPH-NSHDSACASA-N 1 2 239.323 0.603 20 0 BCADLO CC(C)CN1CC[N@H+](C[C@@H](C)O)CC1=O ZINC000192810866 387538206 /nfs/dbraw/zinc/53/82/06/387538206.db2.gz RPVCNRUGZCAPGZ-SNVBAGLBSA-N 1 2 214.309 0.167 20 0 BCADLO CC(C)CN1CC[N@@H+](C[C@@H](C)O)CC1=O ZINC000192810866 387538209 /nfs/dbraw/zinc/53/82/09/387538209.db2.gz RPVCNRUGZCAPGZ-SNVBAGLBSA-N 1 2 214.309 0.167 20 0 BCADLO Cc1ccncc1C[N@H+](C)CC(=O)NC(N)=O ZINC000361437501 387462824 /nfs/dbraw/zinc/46/28/24/387462824.db2.gz LYQBAGFBZYFMLH-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO Cc1ccncc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000361437501 387462825 /nfs/dbraw/zinc/46/28/25/387462825.db2.gz LYQBAGFBZYFMLH-UHFFFAOYSA-N 1 2 236.275 0.017 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355038066 387468022 /nfs/dbraw/zinc/46/80/22/387468022.db2.gz ALVXXYWVLRTBPE-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO CS[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355038066 387468023 /nfs/dbraw/zinc/46/80/23/387468023.db2.gz ALVXXYWVLRTBPE-NXEZZACHSA-N 1 2 246.376 0.575 20 0 BCADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361508077 387476229 /nfs/dbraw/zinc/47/62/29/387476229.db2.gz IOFRVNUBXDFHBI-SCVCMEIPSA-N 1 2 243.303 0.428 20 0 BCADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361508077 387476234 /nfs/dbraw/zinc/47/62/34/387476234.db2.gz IOFRVNUBXDFHBI-SCVCMEIPSA-N 1 2 243.303 0.428 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CC1(F)CC1 ZINC000527219648 387542239 /nfs/dbraw/zinc/54/22/39/387542239.db2.gz OXHNDVIETJCUDL-QMMMGPOBSA-N 1 2 223.313 0.853 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CC1(F)CC1 ZINC000527219648 387542241 /nfs/dbraw/zinc/54/22/41/387542241.db2.gz OXHNDVIETJCUDL-QMMMGPOBSA-N 1 2 223.313 0.853 20 0 BCADLO COC[C@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC ZINC000355127122 387483074 /nfs/dbraw/zinc/48/30/74/387483074.db2.gz SFXHZARHQZFYMJ-KOLCDFICSA-N 1 2 245.319 0.579 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000336629390 387483401 /nfs/dbraw/zinc/48/34/01/387483401.db2.gz KHTSHSBFOAHRQX-NXEZZACHSA-N 1 2 235.287 0.693 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000336629390 387483406 /nfs/dbraw/zinc/48/34/06/387483406.db2.gz KHTSHSBFOAHRQX-NXEZZACHSA-N 1 2 235.287 0.693 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355138371 387484782 /nfs/dbraw/zinc/48/47/82/387484782.db2.gz GLKLJUBQCONPKE-WOPDTQHZSA-N 1 2 237.347 0.149 20 0 BCADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361555893 387488008 /nfs/dbraw/zinc/48/80/08/387488008.db2.gz UIJCYWCNECTVHZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361555893 387488011 /nfs/dbraw/zinc/48/80/11/387488011.db2.gz UIJCYWCNECTVHZ-GHMZBOCLSA-N 1 2 235.287 0.836 20 0 BCADLO CC[N@H+](CCO)Cc1nc([C@H](C)OC)no1 ZINC000304480582 387488172 /nfs/dbraw/zinc/48/81/72/387488172.db2.gz IEVXYRRWGHPNNU-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO CC[N@@H+](CCO)Cc1nc([C@H](C)OC)no1 ZINC000304480582 387488178 /nfs/dbraw/zinc/48/81/78/387488178.db2.gz IEVXYRRWGHPNNU-QMMMGPOBSA-N 1 2 229.280 0.591 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000355163276 387488836 /nfs/dbraw/zinc/48/88/36/387488836.db2.gz IOLWWGZLZAPBJO-BDAKNGLRSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000355163276 387488840 /nfs/dbraw/zinc/48/88/40/387488840.db2.gz IOLWWGZLZAPBJO-BDAKNGLRSA-N 1 2 207.281 0.585 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)nc1 ZINC000355158753 387488867 /nfs/dbraw/zinc/48/88/67/387488867.db2.gz GTGWERDINGUAAS-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)nc1 ZINC000355158753 387488872 /nfs/dbraw/zinc/48/88/72/387488872.db2.gz GTGWERDINGUAAS-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)C[C@H](C)OC ZINC000361558778 387489007 /nfs/dbraw/zinc/48/90/07/387489007.db2.gz KAIRGENSLDQAEW-VIFPVBQESA-N 1 2 239.323 0.865 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)C[C@H](C)OC ZINC000361558778 387489014 /nfs/dbraw/zinc/48/90/14/387489014.db2.gz KAIRGENSLDQAEW-VIFPVBQESA-N 1 2 239.323 0.865 20 0 BCADLO Cn1nnc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000355163277 387490329 /nfs/dbraw/zinc/49/03/29/387490329.db2.gz IOLWWGZLZAPBJO-DTWKUNHWSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnc(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000355163277 387490333 /nfs/dbraw/zinc/49/03/33/387490333.db2.gz IOLWWGZLZAPBJO-DTWKUNHWSA-N 1 2 207.281 0.585 20 0 BCADLO OCC[N@H+](CCC1(O)CCC1)CC(F)F ZINC000396798650 387492460 /nfs/dbraw/zinc/49/24/60/387492460.db2.gz VNMMYIYXDUGFPZ-UHFFFAOYSA-N 1 2 223.263 0.851 20 0 BCADLO OCC[N@@H+](CCC1(O)CCC1)CC(F)F ZINC000396798650 387492461 /nfs/dbraw/zinc/49/24/61/387492461.db2.gz VNMMYIYXDUGFPZ-UHFFFAOYSA-N 1 2 223.263 0.851 20 0 BCADLO CC(C)n1nccc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352802721 387492890 /nfs/dbraw/zinc/49/28/90/387492890.db2.gz WIQLMKTWXDIGNV-NEPJUHHUSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)n1nccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352802721 387492896 /nfs/dbraw/zinc/49/28/96/387492896.db2.gz WIQLMKTWXDIGNV-NEPJUHHUSA-N 1 2 239.319 0.656 20 0 BCADLO CC(C)[C@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000516310663 387493422 /nfs/dbraw/zinc/49/34/22/387493422.db2.gz MOKYEKWYHLKMJP-SNVBAGLBSA-N 1 2 210.281 0.111 20 0 BCADLO CC(C)[C@H](O)C[N@H+]1CCn2nncc2C1 ZINC000516310663 387493429 /nfs/dbraw/zinc/49/34/29/387493429.db2.gz MOKYEKWYHLKMJP-SNVBAGLBSA-N 1 2 210.281 0.111 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000290020972 387580717 /nfs/dbraw/zinc/58/07/17/387580717.db2.gz AZJNYUPDOZGTBF-IUCAKERBSA-N 1 2 212.249 0.486 20 0 BCADLO O=S1(=O)CC[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC000375771139 387581408 /nfs/dbraw/zinc/58/14/08/387581408.db2.gz VJMLWCXQIMREAH-JAHGQZHNSA-N 1 2 235.736 0.858 20 0 BCADLO O=S1(=O)CC[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC000375771139 387581411 /nfs/dbraw/zinc/58/14/11/387581411.db2.gz VJMLWCXQIMREAH-JAHGQZHNSA-N 1 2 235.736 0.858 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527510656 387590745 /nfs/dbraw/zinc/59/07/45/387590745.db2.gz ZSNYEKANHJCIRQ-MRVPVSSYSA-N 1 2 236.312 0.112 20 0 BCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527510656 387590749 /nfs/dbraw/zinc/59/07/49/387590749.db2.gz ZSNYEKANHJCIRQ-MRVPVSSYSA-N 1 2 236.312 0.112 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000527524672 387596199 /nfs/dbraw/zinc/59/61/99/387596199.db2.gz GTXYBZLOHSWACB-QMMMGPOBSA-N 1 2 236.312 0.241 20 0 BCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000527524672 387596204 /nfs/dbraw/zinc/59/62/04/387596204.db2.gz GTXYBZLOHSWACB-QMMMGPOBSA-N 1 2 236.312 0.241 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C)CC1 ZINC000123985632 387599859 /nfs/dbraw/zinc/59/98/59/387599859.db2.gz XXLTVVDFQQHFSX-SNVBAGLBSA-N 1 2 226.320 0.623 20 0 BCADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)ccn1 ZINC000527538062 387605221 /nfs/dbraw/zinc/60/52/21/387605221.db2.gz BCKWLLOHVBIFGN-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)ccn1 ZINC000527538062 387605225 /nfs/dbraw/zinc/60/52/25/387605225.db2.gz BCKWLLOHVBIFGN-YPMHNXCESA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)ccn1 ZINC000527537973 387605329 /nfs/dbraw/zinc/60/53/29/387605329.db2.gz HWYNFZXTDFTUMN-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cc1cc(C[N@H+]2CCN(CCO)[C@@H](C)C2)ccn1 ZINC000527537973 387605333 /nfs/dbraw/zinc/60/53/33/387605333.db2.gz HWYNFZXTDFTUMN-ZDUSSCGKSA-N 1 2 249.358 0.888 20 0 BCADLO Cn1nnnc1C[N@H+](C)CCOc1ccccc1 ZINC000356028957 387608706 /nfs/dbraw/zinc/60/87/06/387608706.db2.gz MVRJGJHRMXRRGC-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO Cn1nnnc1C[N@@H+](C)CCOc1ccccc1 ZINC000356028957 387608714 /nfs/dbraw/zinc/60/87/14/387608714.db2.gz MVRJGJHRMXRRGC-UHFFFAOYSA-N 1 2 247.302 0.721 20 0 BCADLO Cc1cn2c([nH+]1)CN(CC(=O)N1CCC1)CC2 ZINC000376296637 387619725 /nfs/dbraw/zinc/61/97/25/387619725.db2.gz RENFVUCJDLQQLY-UHFFFAOYSA-N 1 2 234.303 0.239 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356136021 387621701 /nfs/dbraw/zinc/62/17/01/387621701.db2.gz XLPMLJFXMDFUKP-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356136021 387621705 /nfs/dbraw/zinc/62/17/05/387621705.db2.gz XLPMLJFXMDFUKP-GHMZBOCLSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@H](CNC(=O)C1=CCOCC1)Cn1cc[nH+]c1 ZINC000356148605 387621733 /nfs/dbraw/zinc/62/17/33/387621733.db2.gz GFBMXHSCZMCTHY-LLVKDONJSA-N 1 2 249.314 0.982 20 0 BCADLO COC(=O)Cn1cc(C[NH2+]CC2(F)CC2)nn1 ZINC000527237956 387545818 /nfs/dbraw/zinc/54/58/18/387545818.db2.gz ZFLKOARCNNLYDB-UHFFFAOYSA-N 1 2 242.254 0.043 20 0 BCADLO CC(C)CN1CC[N@H+](CCCO)[C@@H](C)C1=O ZINC000426203165 387548537 /nfs/dbraw/zinc/54/85/37/387548537.db2.gz YIKADVBBCRDUOO-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO CC(C)CN1CC[N@@H+](CCCO)[C@@H](C)C1=O ZINC000426203165 387548539 /nfs/dbraw/zinc/54/85/39/387548539.db2.gz YIKADVBBCRDUOO-NSHDSACASA-N 1 2 228.336 0.558 20 0 BCADLO Cc1c(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cnn1C ZINC000305134391 387559727 /nfs/dbraw/zinc/55/97/27/387559727.db2.gz OACXRIIVUODRDY-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cnn1C ZINC000305134391 387559731 /nfs/dbraw/zinc/55/97/31/387559731.db2.gz OACXRIIVUODRDY-CABZTGNLSA-N 1 2 239.319 0.310 20 0 BCADLO CN(CCO)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000305137791 387559819 /nfs/dbraw/zinc/55/98/19/387559819.db2.gz GVIDNWFEUCNBIQ-UHFFFAOYSA-N 1 2 245.282 0.937 20 0 BCADLO CO[C@H](C(=O)N1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000375668142 387565923 /nfs/dbraw/zinc/56/59/23/387565923.db2.gz CSXLORNZFVBCSS-LBPRGKRZSA-N 1 2 249.314 0.959 20 0 BCADLO CCOCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362073094 387567963 /nfs/dbraw/zinc/56/79/63/387567963.db2.gz UEKQEGACSSFJFL-UWVGGRQHSA-N 1 2 219.350 0.864 20 0 BCADLO C[C@@H](C(=O)N1[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000527473257 387570912 /nfs/dbraw/zinc/57/09/12/387570912.db2.gz FHHBBMOOPGTYMI-TUAOUCFPSA-N 1 2 239.363 0.632 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332903519 387575458 /nfs/dbraw/zinc/57/54/58/387575458.db2.gz XEPOECSGSCBCKQ-JOYOIKCWSA-N 1 2 249.314 0.808 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332903519 387575463 /nfs/dbraw/zinc/57/54/63/387575463.db2.gz XEPOECSGSCBCKQ-JOYOIKCWSA-N 1 2 249.314 0.808 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCOC[C@H](O)C1 ZINC000399932570 387577677 /nfs/dbraw/zinc/57/76/77/387577677.db2.gz SKFZBQMBMUEHAC-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO CCC[C@H](C(=O)OCC)[N@H+]1CCOC[C@H](O)C1 ZINC000399932570 387577680 /nfs/dbraw/zinc/57/76/80/387577680.db2.gz SKFZBQMBMUEHAC-GHMZBOCLSA-N 1 2 245.319 0.411 20 0 BCADLO O[C@H](C[NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000527756503 387694544 /nfs/dbraw/zinc/69/45/44/387694544.db2.gz DXVNYXREHROEJY-ZJUUUORDSA-N 1 2 211.265 0.039 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362563295 387630715 /nfs/dbraw/zinc/63/07/15/387630715.db2.gz XVQONHYOBNTMNU-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362563295 387630725 /nfs/dbraw/zinc/63/07/25/387630725.db2.gz XVQONHYOBNTMNU-LBPRGKRZSA-N 1 2 240.347 0.964 20 0 BCADLO CC[N@H+](CCCO)Cc1noc(COC)n1 ZINC000356256149 387633482 /nfs/dbraw/zinc/63/34/82/387633482.db2.gz OLHVYJRCQZRGFA-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO CC[N@@H+](CCCO)Cc1noc(COC)n1 ZINC000356256149 387633487 /nfs/dbraw/zinc/63/34/87/387633487.db2.gz OLHVYJRCQZRGFA-UHFFFAOYSA-N 1 2 229.280 0.420 20 0 BCADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)no1 ZINC000124896549 387635509 /nfs/dbraw/zinc/63/55/09/387635509.db2.gz XSYYJNJKWJCIDL-UHFFFAOYSA-N 1 2 235.287 0.903 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356362538 387650118 /nfs/dbraw/zinc/65/01/18/387650118.db2.gz QFVVBUUFBIONNX-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356362538 387650121 /nfs/dbraw/zinc/65/01/21/387650121.db2.gz QFVVBUUFBIONNX-SNVBAGLBSA-N 1 2 229.324 0.368 20 0 BCADLO CCCn1c(C)nnc1C[N@H+](CC)CCO ZINC000305766829 387650507 /nfs/dbraw/zinc/65/05/07/387650507.db2.gz ZZZPGKKEMBTECM-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO CCCn1c(C)nnc1C[N@@H+](CC)CCO ZINC000305766829 387650510 /nfs/dbraw/zinc/65/05/10/387650510.db2.gz ZZZPGKKEMBTECM-UHFFFAOYSA-N 1 2 226.324 0.811 20 0 BCADLO COCc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000305783701 387652096 /nfs/dbraw/zinc/65/20/96/387652096.db2.gz AUTQCKDDXLXCQV-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO COCc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000305783701 387652101 /nfs/dbraw/zinc/65/21/01/387652101.db2.gz AUTQCKDDXLXCQV-QMMMGPOBSA-N 1 2 229.280 0.419 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356517884 387667786 /nfs/dbraw/zinc/66/77/86/387667786.db2.gz VKTGUGLCXRBGMM-FBIMIBRVSA-N 1 2 235.287 0.461 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)n1 ZINC000356520464 387668409 /nfs/dbraw/zinc/66/84/09/387668409.db2.gz SLELLKNMOBLORM-SSDOTTSWSA-N 1 2 240.307 0.943 20 0 BCADLO CC[C@H](F)C[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000440710595 387678505 /nfs/dbraw/zinc/67/85/05/387678505.db2.gz LTZTYYOELGFZDQ-LPEHRKFASA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000440710595 387678509 /nfs/dbraw/zinc/67/85/09/387678509.db2.gz LTZTYYOELGFZDQ-LPEHRKFASA-N 1 2 233.283 0.997 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440709208 387678558 /nfs/dbraw/zinc/67/85/58/387678558.db2.gz BAORXYPOGCQJCG-DTWKUNHWSA-N 1 2 238.328 0.358 20 0 BCADLO CC[C@H](F)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440709208 387678561 /nfs/dbraw/zinc/67/85/61/387678561.db2.gz BAORXYPOGCQJCG-DTWKUNHWSA-N 1 2 238.328 0.358 20 0 BCADLO CC[C@H](F)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440709210 387678863 /nfs/dbraw/zinc/67/88/63/387678863.db2.gz BAORXYPOGCQJCG-IUCAKERBSA-N 1 2 238.328 0.358 20 0 BCADLO CC[C@H](F)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440709210 387678871 /nfs/dbraw/zinc/67/88/71/387678871.db2.gz BAORXYPOGCQJCG-IUCAKERBSA-N 1 2 238.328 0.358 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440714631 387682433 /nfs/dbraw/zinc/68/24/33/387682433.db2.gz VCIPDVBOMQZAOD-SECBINFHSA-N 1 2 228.271 0.204 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440714631 387682438 /nfs/dbraw/zinc/68/24/38/387682438.db2.gz VCIPDVBOMQZAOD-SECBINFHSA-N 1 2 228.271 0.204 20 0 BCADLO CCn1ncc(C[NH2+]Cc2c(C)cnn2C)n1 ZINC000527737168 387685347 /nfs/dbraw/zinc/68/53/47/387685347.db2.gz WFQUJVFSBVWSCS-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO C[C@H](F)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356648771 387685930 /nfs/dbraw/zinc/68/59/30/387685930.db2.gz OUSAOULPLYXYKO-JTQLQIEISA-N 1 2 246.326 0.962 20 0 BCADLO C[C@H]1c2cccn2CC[N@H+]1Cc1nnnn1C ZINC000363100009 387689189 /nfs/dbraw/zinc/68/91/89/387689189.db2.gz RTYOQJYFKOGXIK-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1nnnn1C ZINC000363100009 387689195 /nfs/dbraw/zinc/68/91/95/387689195.db2.gz RTYOQJYFKOGXIK-VIFPVBQESA-N 1 2 232.291 0.588 20 0 BCADLO CSC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424139904 387689852 /nfs/dbraw/zinc/68/98/52/387689852.db2.gz RTEKWAWQZLMLLL-ZCFIWIBFSA-N 1 2 227.276 0.022 20 0 BCADLO COC[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000367705186 387744828 /nfs/dbraw/zinc/74/48/28/387744828.db2.gz MWVUDUKSOUETPY-NSHDSACASA-N 1 2 233.271 0.952 20 0 BCADLO Cn1nnnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377768625 387747562 /nfs/dbraw/zinc/74/75/62/387747562.db2.gz RRTVGCGXIPEWDJ-RKDXNWHRSA-N 1 2 207.281 0.585 20 0 BCADLO Cn1nnnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377768625 387747570 /nfs/dbraw/zinc/74/75/70/387747570.db2.gz RRTVGCGXIPEWDJ-RKDXNWHRSA-N 1 2 207.281 0.585 20 0 BCADLO Cc1cnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)nc1 ZINC000441385974 387753572 /nfs/dbraw/zinc/75/35/72/387753572.db2.gz OJWBWCZGAHQBGQ-MWLCHTKSSA-N 1 2 234.303 0.399 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440786488 387699126 /nfs/dbraw/zinc/69/91/26/387699126.db2.gz SCEKMVKHMUSFPJ-IUCAKERBSA-N 1 2 228.271 0.060 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2CCF)C[C@@H]1O ZINC000440786488 387699128 /nfs/dbraw/zinc/69/91/28/387699128.db2.gz SCEKMVKHMUSFPJ-IUCAKERBSA-N 1 2 228.271 0.060 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CCCN(C)C2=O)n1 ZINC000527763197 387700071 /nfs/dbraw/zinc/70/00/71/387700071.db2.gz MTSLEZPSMSLCBD-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CCCN(C)C2=O)n1 ZINC000527763204 387700698 /nfs/dbraw/zinc/70/06/98/387700698.db2.gz MTSLEZPSMSLCBD-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO COc1nn(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000356705264 387704664 /nfs/dbraw/zinc/70/46/64/387704664.db2.gz ROHFYODYXHDPSA-SECBINFHSA-N 1 2 238.291 0.461 20 0 BCADLO COc1nn(C)cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000356705264 387704673 /nfs/dbraw/zinc/70/46/73/387704673.db2.gz ROHFYODYXHDPSA-SECBINFHSA-N 1 2 238.291 0.461 20 0 BCADLO COC[C@@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000452041050 387710188 /nfs/dbraw/zinc/71/01/88/387710188.db2.gz ROUHXXVDPSRMED-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO COC[C@@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000452041050 387710193 /nfs/dbraw/zinc/71/01/93/387710193.db2.gz ROUHXXVDPSRMED-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO Cn1cc(CC[N@@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000377405633 387717066 /nfs/dbraw/zinc/71/70/66/387717066.db2.gz YZTZPOPZMOWMFQ-MNOVXSKESA-N 1 2 207.277 0.436 20 0 BCADLO Cn1cc(CC[N@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000377405633 387717071 /nfs/dbraw/zinc/71/70/71/387717071.db2.gz YZTZPOPZMOWMFQ-MNOVXSKESA-N 1 2 207.277 0.436 20 0 BCADLO CC[N@H+](Cc1cc(C)n(C)n1)[C@@H]1CCNC1=O ZINC000440958536 387717640 /nfs/dbraw/zinc/71/76/40/387717640.db2.gz RFUWVFMWQGCAJZ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO CC[N@@H+](Cc1cc(C)n(C)n1)[C@@H]1CCNC1=O ZINC000440958536 387717643 /nfs/dbraw/zinc/71/76/43/387717643.db2.gz RFUWVFMWQGCAJZ-LLVKDONJSA-N 1 2 236.319 0.439 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000377500864 387721829 /nfs/dbraw/zinc/72/18/29/387721829.db2.gz GFURTWGRHHIBSK-SECBINFHSA-N 1 2 247.306 0.313 20 0 BCADLO Cn1nnnc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000377500864 387721835 /nfs/dbraw/zinc/72/18/35/387721835.db2.gz GFURTWGRHHIBSK-SECBINFHSA-N 1 2 247.306 0.313 20 0 BCADLO CC[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356789942 387722727 /nfs/dbraw/zinc/72/27/27/387722727.db2.gz UNYIXZNPMDEQGL-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356789942 387722734 /nfs/dbraw/zinc/72/27/34/387722734.db2.gz UNYIXZNPMDEQGL-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000527804122 387728170 /nfs/dbraw/zinc/72/81/70/387728170.db2.gz MPXAWJZUPJJEKX-OORONAJNSA-N 1 2 225.296 0.112 20 0 BCADLO C[C@@H](F)CC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000367559948 387728588 /nfs/dbraw/zinc/72/85/88/387728588.db2.gz RKTXDKTYCZMBLV-MRVPVSSYSA-N 1 2 228.271 0.146 20 0 BCADLO C[C@@H](F)CC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000367559948 387728593 /nfs/dbraw/zinc/72/85/93/387728593.db2.gz RKTXDKTYCZMBLV-MRVPVSSYSA-N 1 2 228.271 0.146 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000378134172 387768540 /nfs/dbraw/zinc/76/85/40/387768540.db2.gz ZXOUMZCTYHMNBH-SNVBAGLBSA-N 1 2 249.318 0.270 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000378134172 387768546 /nfs/dbraw/zinc/76/85/46/387768546.db2.gz ZXOUMZCTYHMNBH-SNVBAGLBSA-N 1 2 249.318 0.270 20 0 BCADLO CC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441632461 387774341 /nfs/dbraw/zinc/77/43/41/387774341.db2.gz GLSLNQHKNBAKMA-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO CC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441632461 387774346 /nfs/dbraw/zinc/77/43/46/387774346.db2.gz GLSLNQHKNBAKMA-IUCAKERBSA-N 1 2 229.276 0.433 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(N)=O ZINC000047629358 387778228 /nfs/dbraw/zinc/77/82/28/387778228.db2.gz LEOXPHJBAZGWFU-NXEZZACHSA-N 1 2 241.335 0.098 20 0 BCADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(N)=O ZINC000047629358 387778233 /nfs/dbraw/zinc/77/82/33/387778233.db2.gz LEOXPHJBAZGWFU-NXEZZACHSA-N 1 2 241.335 0.098 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527958195 387784649 /nfs/dbraw/zinc/78/46/49/387784649.db2.gz VDSRLOVXJJBOLE-KPXOXKRLSA-N 1 2 239.319 0.909 20 0 BCADLO CC[C@@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000192859855 387786612 /nfs/dbraw/zinc/78/66/12/387786612.db2.gz QXCSKXCHIKNBFZ-SNVBAGLBSA-N 1 2 245.319 0.723 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCC(C)=O ZINC000378487678 387787679 /nfs/dbraw/zinc/78/76/79/387787679.db2.gz JEOJIBKMZWSUDZ-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCC(C)=O ZINC000378487678 387787680 /nfs/dbraw/zinc/78/76/80/387787680.db2.gz JEOJIBKMZWSUDZ-GHMZBOCLSA-N 1 2 243.303 0.618 20 0 BCADLO Cc1[nH]c(C(=O)NCCC2CC(O)C2)c[nH+]1 ZINC000432438501 387789024 /nfs/dbraw/zinc/78/90/24/387789024.db2.gz ZZATYSMQGIWVAH-UHFFFAOYSA-N 1 2 223.276 0.609 20 0 BCADLO COc1ccc[nH+]c1N1C[C@@H](OC)[C@@H](OC)C1 ZINC000527981446 387798014 /nfs/dbraw/zinc/79/80/14/387798014.db2.gz PNRWTKOSSWIOBU-PHIMTYICSA-N 1 2 238.287 0.940 20 0 BCADLO CCN1CCN(c2[nH+]cccc2OC)CC1=O ZINC000527963536 387811114 /nfs/dbraw/zinc/81/11/14/387811114.db2.gz SWOZMGXPNKMYMA-UHFFFAOYSA-N 1 2 235.287 0.759 20 0 BCADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000360059579 387823300 /nfs/dbraw/zinc/82/33/00/387823300.db2.gz PRYVBPGOLAUKBT-SNVBAGLBSA-N 1 2 236.275 0.355 20 0 BCADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000360059579 387823304 /nfs/dbraw/zinc/82/33/04/387823304.db2.gz PRYVBPGOLAUKBT-SNVBAGLBSA-N 1 2 236.275 0.355 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000432929805 387844296 /nfs/dbraw/zinc/84/42/96/387844296.db2.gz ZEXSEXKVOGUNJW-NSHDSACASA-N 1 2 235.287 0.871 20 0 BCADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000432929805 387844302 /nfs/dbraw/zinc/84/43/02/387844302.db2.gz ZEXSEXKVOGUNJW-NSHDSACASA-N 1 2 235.287 0.871 20 0 BCADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000061709328 387845778 /nfs/dbraw/zinc/84/57/78/387845778.db2.gz XUROFTZRCGTJEF-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000061709328 387845782 /nfs/dbraw/zinc/84/57/82/387845782.db2.gz XUROFTZRCGTJEF-SECBINFHSA-N 1 2 225.292 0.835 20 0 BCADLO CC[C@@H](NC(=O)C(=O)NC1CC1)c1[nH]cc[nH+]1 ZINC000442819530 387846138 /nfs/dbraw/zinc/84/61/38/387846138.db2.gz ILASIXFMKWPMOB-MRVPVSSYSA-N 1 2 236.275 0.256 20 0 BCADLO Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)nc[nH+]1 ZINC000432941300 387846320 /nfs/dbraw/zinc/84/63/20/387846320.db2.gz XYOJEXUFPXTCNK-GFCCVEGCSA-N 1 2 232.287 0.501 20 0 BCADLO CCOC(=O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442817599 387846617 /nfs/dbraw/zinc/84/66/17/387846617.db2.gz ZJCOOOJYAJRXSV-MRVPVSSYSA-N 1 2 239.275 0.930 20 0 BCADLO CN(C)C(=O)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000151608093 387864403 /nfs/dbraw/zinc/86/44/03/387864403.db2.gz YGEVINDFTNQIIE-UHFFFAOYSA-N 1 2 222.248 0.081 20 0 BCADLO Cc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000235898465 387866110 /nfs/dbraw/zinc/86/61/10/387866110.db2.gz NUHBEOKICJHLLU-UHFFFAOYSA-N 1 2 217.276 0.808 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1c[nH+]c[nH]1 ZINC000433131321 387869278 /nfs/dbraw/zinc/86/92/78/387869278.db2.gz KAAPRTFILAFVMI-JTQLQIEISA-N 1 2 211.265 0.577 20 0 BCADLO CCC[C@](C)(O)C(=O)NCc1c[nH]c[nH+]1 ZINC000433131321 387869282 /nfs/dbraw/zinc/86/92/82/387869282.db2.gz KAAPRTFILAFVMI-JTQLQIEISA-N 1 2 211.265 0.577 20 0 BCADLO CCOC(=O)C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000194520702 387890591 /nfs/dbraw/zinc/89/05/91/387890591.db2.gz FBBGZODWGNIZIH-CQSZACIVSA-N 1 2 249.310 0.973 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)C1(O)CCCCC1 ZINC000444621421 387893024 /nfs/dbraw/zinc/89/30/24/387893024.db2.gz ZSSFCXJQXBXPQT-UHFFFAOYSA-N 1 2 237.303 0.764 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)NC(N)=O ZINC000194836745 387897531 /nfs/dbraw/zinc/89/75/31/387897531.db2.gz MIWYFZRHEQCEAO-ZCFIWIBFSA-N 1 2 238.247 0.086 20 0 BCADLO Cn1ncc2c1nc[nH+]c2NCC12CC(C1)CO2 ZINC000528184503 387876015 /nfs/dbraw/zinc/87/60/15/387876015.db2.gz JTTBVJHNQGNVNR-UHFFFAOYSA-N 1 2 245.286 0.954 20 0 BCADLO CNc1nc(NCC2COC2)[nH+]c2ccccc21 ZINC000528227415 387882093 /nfs/dbraw/zinc/88/20/93/387882093.db2.gz QYOLSMGOINARRD-UHFFFAOYSA-N 1 2 244.298 0.574 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000194626593 387887188 /nfs/dbraw/zinc/88/71/88/387887188.db2.gz YMHSLSDLNCRTJB-SECBINFHSA-N 1 2 223.276 0.075 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000194626593 387887193 /nfs/dbraw/zinc/88/71/93/387887193.db2.gz YMHSLSDLNCRTJB-SECBINFHSA-N 1 2 223.276 0.075 20 0 BCADLO CSCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194635518 387888181 /nfs/dbraw/zinc/88/81/81/387888181.db2.gz KQMAEEWTCZAJOT-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO CSCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194635518 387888186 /nfs/dbraw/zinc/88/81/86/387888186.db2.gz KQMAEEWTCZAJOT-SECBINFHSA-N 1 2 232.349 0.186 20 0 BCADLO Cc1cc(C)c(CNS(=O)(=O)N(C)C)c[nH+]1 ZINC000397114435 387899319 /nfs/dbraw/zinc/89/93/19/387899319.db2.gz TWIUQEFKUVOTTA-UHFFFAOYSA-N 1 2 243.332 0.594 20 0 BCADLO CC(C)c1nc(NC[C@@H](O)CO)cc[nH+]1 ZINC000161945461 387916597 /nfs/dbraw/zinc/91/65/97/387916597.db2.gz GMNXRKNLHXIODB-MRVPVSSYSA-N 1 2 211.265 0.365 20 0 BCADLO Cn1cc(C[N@H+](C)CC2(CO)CC2)nn1 ZINC000438334411 387923621 /nfs/dbraw/zinc/92/36/21/387923621.db2.gz ZRUKCPYSTPWWDS-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO Cn1cc(C[N@@H+](C)CC2(CO)CC2)nn1 ZINC000438334411 387923624 /nfs/dbraw/zinc/92/36/24/387923624.db2.gz ZRUKCPYSTPWWDS-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO C[C@@H](O)C[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645808018 387956073 /nfs/dbraw/zinc/95/60/73/387956073.db2.gz ILBDUSPZAURRQK-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645808018 387956080 /nfs/dbraw/zinc/95/60/80/387956080.db2.gz ILBDUSPZAURRQK-MRVPVSSYSA-N 1 2 224.308 0.505 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCc1cccnn1 ZINC000444948247 387938410 /nfs/dbraw/zinc/93/84/10/387938410.db2.gz GNJVMPHYEWIKHM-UHFFFAOYSA-N 1 2 243.270 0.924 20 0 BCADLO C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245384228 387942331 /nfs/dbraw/zinc/94/23/31/387942331.db2.gz UVWKMIXXDVNSTO-VHSXEESVSA-N 1 2 233.333 0.284 20 0 BCADLO C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245384228 387942335 /nfs/dbraw/zinc/94/23/35/387942335.db2.gz UVWKMIXXDVNSTO-VHSXEESVSA-N 1 2 233.333 0.284 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)C ZINC000645803749 387950335 /nfs/dbraw/zinc/95/03/35/387950335.db2.gz AHSRFRGZCGIMJP-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC(C)C ZINC000645803749 387950337 /nfs/dbraw/zinc/95/03/37/387950337.db2.gz AHSRFRGZCGIMJP-NSHDSACASA-N 1 2 243.351 0.805 20 0 BCADLO COC[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000445746802 387963534 /nfs/dbraw/zinc/96/35/34/387963534.db2.gz BKKMNEMLLVZOMF-SNVBAGLBSA-N 1 2 225.292 0.672 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCCN(CC(F)F)CC1 ZINC000245581684 387964339 /nfs/dbraw/zinc/96/43/39/387964339.db2.gz HSYIVTXMOCONOE-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCCN(CC(F)F)CC1 ZINC000245581684 387964347 /nfs/dbraw/zinc/96/43/47/387964347.db2.gz HSYIVTXMOCONOE-VIFPVBQESA-N 1 2 248.273 0.575 20 0 BCADLO CC[C@](C)([NH2+]CCn1cccn1)C(=O)OC ZINC000293184746 387967699 /nfs/dbraw/zinc/96/76/99/387967699.db2.gz OAWHDIQRMGWZTO-NSHDSACASA-N 1 2 225.292 0.814 20 0 BCADLO Cc1oncc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000445804797 387968601 /nfs/dbraw/zinc/96/86/01/387968601.db2.gz ATGCQMZFIWJEJB-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1oncc1C[N@H+](C)CCNC(=O)N(C)C ZINC000445804797 387968603 /nfs/dbraw/zinc/96/86/03/387968603.db2.gz ATGCQMZFIWJEJB-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2ncsc2C1 ZINC000445847786 387974110 /nfs/dbraw/zinc/97/41/10/387974110.db2.gz SNTXJUNNSKAHCO-QMMMGPOBSA-N 1 2 225.317 0.765 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2ncsc2C1 ZINC000445847786 387974114 /nfs/dbraw/zinc/97/41/14/387974114.db2.gz SNTXJUNNSKAHCO-QMMMGPOBSA-N 1 2 225.317 0.765 20 0 BCADLO COC[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000245700612 387975168 /nfs/dbraw/zinc/97/51/68/387975168.db2.gz XQPGRMAGLPODEQ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO COC[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CCO1 ZINC000245700612 387975170 /nfs/dbraw/zinc/97/51/70/387975170.db2.gz XQPGRMAGLPODEQ-QWRGUYRKSA-N 1 2 242.319 0.002 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2ncsc2C1 ZINC000446066445 387990415 /nfs/dbraw/zinc/99/04/15/387990415.db2.gz KWIMEDUBLAOBAY-QMMMGPOBSA-N 1 2 239.344 0.978 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2ncsc2C1 ZINC000446066445 387990419 /nfs/dbraw/zinc/99/04/19/387990419.db2.gz KWIMEDUBLAOBAY-QMMMGPOBSA-N 1 2 239.344 0.978 20 0 BCADLO COC(=O)C[N@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245874842 387990607 /nfs/dbraw/zinc/99/06/07/387990607.db2.gz SPKWXHSWISKBLQ-DGCLKSJQSA-N 1 2 235.283 0.750 20 0 BCADLO COC(=O)C[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245874842 387990609 /nfs/dbraw/zinc/99/06/09/387990609.db2.gz SPKWXHSWISKBLQ-DGCLKSJQSA-N 1 2 235.283 0.750 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)[nH]1 ZINC000446069174 387991587 /nfs/dbraw/zinc/99/15/87/387991587.db2.gz KELUUQOGFWUJAP-SECBINFHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)[nH]1 ZINC000446069174 387991591 /nfs/dbraw/zinc/99/15/91/387991591.db2.gz KELUUQOGFWUJAP-SECBINFHSA-N 1 2 238.335 0.960 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)[C@@H](C)[C@H](C)O1 ZINC000446083362 387996805 /nfs/dbraw/zinc/99/68/05/387996805.db2.gz RDXVHLOXYOQDCS-VWYCJHECSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)[C@@H](C)[C@H](C)O1 ZINC000446083362 387996812 /nfs/dbraw/zinc/99/68/12/387996812.db2.gz RDXVHLOXYOQDCS-VWYCJHECSA-N 1 2 226.320 0.716 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446075637 387997560 /nfs/dbraw/zinc/99/75/60/387997560.db2.gz ABSQFWXWEIUDSL-IVZWLZJFSA-N 1 2 214.309 0.620 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446075637 387997563 /nfs/dbraw/zinc/99/75/63/387997563.db2.gz ABSQFWXWEIUDSL-IVZWLZJFSA-N 1 2 214.309 0.620 20 0 BCADLO CSCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000439474476 388002987 /nfs/dbraw/zinc/00/29/87/388002987.db2.gz WLXZZEAGGSUQQB-QMMMGPOBSA-N 1 2 229.353 0.956 20 0 BCADLO CSCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000439474476 388002990 /nfs/dbraw/zinc/00/29/90/388002990.db2.gz WLXZZEAGGSUQQB-QMMMGPOBSA-N 1 2 229.353 0.956 20 0 BCADLO COC(=O)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000156711136 388024880 /nfs/dbraw/zinc/02/48/80/388024880.db2.gz UFYMGTPJECARSB-VIFPVBQESA-N 1 2 238.291 0.515 20 0 BCADLO COC(=O)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000156711136 388024889 /nfs/dbraw/zinc/02/48/89/388024889.db2.gz UFYMGTPJECARSB-VIFPVBQESA-N 1 2 238.291 0.515 20 0 BCADLO Cc1ccncc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303254 388025675 /nfs/dbraw/zinc/02/56/75/388025675.db2.gz DCVNBXDWWFRRNH-UHFFFAOYSA-N 1 2 249.314 0.452 20 0 BCADLO C[C@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000161961361 388013377 /nfs/dbraw/zinc/01/33/77/388013377.db2.gz XTNHRNAGBXJXNH-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO C[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000161961361 388013384 /nfs/dbraw/zinc/01/33/84/388013384.db2.gz XTNHRNAGBXJXNH-MXWKQRLJSA-N 1 2 249.376 0.776 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000194473296 388033028 /nfs/dbraw/zinc/03/30/28/388033028.db2.gz JDPFGAUWGZLVHD-SECBINFHSA-N 1 2 223.276 0.420 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(N)c1 ZINC000082475242 388034907 /nfs/dbraw/zinc/03/49/07/388034907.db2.gz PPRJXHGWOAJQJC-VIFPVBQESA-N 1 2 219.288 0.589 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(N)c1 ZINC000082475242 388034911 /nfs/dbraw/zinc/03/49/11/388034911.db2.gz PPRJXHGWOAJQJC-VIFPVBQESA-N 1 2 219.288 0.589 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OCC ZINC000440327975 388038617 /nfs/dbraw/zinc/03/86/17/388038617.db2.gz PRNKOFYRCMXPJY-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000440327975 388038621 /nfs/dbraw/zinc/03/86/21/388038621.db2.gz PRNKOFYRCMXPJY-VHSXEESVSA-N 1 2 233.308 0.267 20 0 BCADLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)ncn1 ZINC000082686910 388040726 /nfs/dbraw/zinc/04/07/26/388040726.db2.gz UWUNPKZMQCQVJV-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC000082686910 388040730 /nfs/dbraw/zinc/04/07/30/388040730.db2.gz UWUNPKZMQCQVJV-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944154 388042934 /nfs/dbraw/zinc/04/29/34/388042934.db2.gz DVFPUERBRIUESX-GDPRMGEGSA-N 1 2 227.304 0.953 20 0 BCADLO CC[C@@]1(O)CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440529980 388052289 /nfs/dbraw/zinc/05/22/89/388052289.db2.gz XSKDCMXQZJQGNX-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@@]1(O)CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440529980 388052292 /nfs/dbraw/zinc/05/22/92/388052292.db2.gz XSKDCMXQZJQGNX-LLVKDONJSA-N 1 2 242.298 0.594 20 0 BCADLO CC[C@H](F)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000440531638 388052602 /nfs/dbraw/zinc/05/26/02/388052602.db2.gz MTCWYLURQZRDJB-JTQLQIEISA-N 1 2 232.299 0.525 20 0 BCADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000447307936 388062313 /nfs/dbraw/zinc/06/23/13/388062313.db2.gz YPKZYONVHLBTAR-PWSUYJOCSA-N 1 2 247.310 0.958 20 0 BCADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000447307936 388062318 /nfs/dbraw/zinc/06/23/18/388062318.db2.gz YPKZYONVHLBTAR-PWSUYJOCSA-N 1 2 247.310 0.958 20 0 BCADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000440689235 388067097 /nfs/dbraw/zinc/06/70/97/388067097.db2.gz ANTYNJOCBJVXOA-WDEREUQCSA-N 1 2 242.298 0.727 20 0 BCADLO CC[C@H](F)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000440689235 388067102 /nfs/dbraw/zinc/06/71/02/388067102.db2.gz ANTYNJOCBJVXOA-WDEREUQCSA-N 1 2 242.298 0.727 20 0 BCADLO CC[C@H](F)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000440694423 388067625 /nfs/dbraw/zinc/06/76/25/388067625.db2.gz QNCXRMGMEAJOJJ-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO CC[C@H](F)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000440694423 388067629 /nfs/dbraw/zinc/06/76/29/388067629.db2.gz QNCXRMGMEAJOJJ-DTWKUNHWSA-N 1 2 223.313 0.853 20 0 BCADLO CC[N@@H+]1CCN(C(=O)C2(C(C)=O)CC2)C[C@@H]1C ZINC000645899309 388078768 /nfs/dbraw/zinc/07/87/68/388078768.db2.gz HRQZSOQRHAEYAB-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO CC[N@H+]1CCN(C(=O)C2(C(C)=O)CC2)C[C@@H]1C ZINC000645899309 388078772 /nfs/dbraw/zinc/07/87/72/388078772.db2.gz HRQZSOQRHAEYAB-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO CC[NH+]1CCN(C(=O)C2CCC(=O)CC2)CC1 ZINC000084536536 388079052 /nfs/dbraw/zinc/07/90/52/388079052.db2.gz TZGCRUFDDLBFAB-UHFFFAOYSA-N 1 2 238.331 0.910 20 0 BCADLO CCc1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC000195079766 388096452 /nfs/dbraw/zinc/09/64/52/388096452.db2.gz BOFNZIUPLLZMPY-UHFFFAOYSA-N 1 2 238.335 0.582 20 0 BCADLO CCc1nsc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000085791179 388096572 /nfs/dbraw/zinc/09/65/72/388096572.db2.gz IJNIOKLUWYGXDH-MRVPVSSYSA-N 1 2 242.348 0.843 20 0 BCADLO CCc1nsc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000085791179 388096576 /nfs/dbraw/zinc/09/65/76/388096576.db2.gz IJNIOKLUWYGXDH-MRVPVSSYSA-N 1 2 242.348 0.843 20 0 BCADLO CCc1nc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)no1 ZINC000447914822 388102672 /nfs/dbraw/zinc/10/26/72/388102672.db2.gz PYZWDSJXMMBNBI-IUCAKERBSA-N 1 2 241.291 0.262 20 0 BCADLO CC1=C[C@@H](C)C[N@H+](Cc2nnn(C)n2)C1 ZINC000440528639 388048831 /nfs/dbraw/zinc/04/88/31/388048831.db2.gz FGJVEOBMQRMJMX-MRVPVSSYSA-N 1 2 207.281 0.608 20 0 BCADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnn(C)n2)C1 ZINC000440528639 388048833 /nfs/dbraw/zinc/04/88/33/388048833.db2.gz FGJVEOBMQRMJMX-MRVPVSSYSA-N 1 2 207.281 0.608 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)CC1(O)CCC1 ZINC000440511890 388049884 /nfs/dbraw/zinc/04/98/84/388049884.db2.gz MDFBUUUMNDIJPC-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)CC1(O)CCC1 ZINC000440511890 388049887 /nfs/dbraw/zinc/04/98/87/388049887.db2.gz MDFBUUUMNDIJPC-UHFFFAOYSA-N 1 2 242.298 0.594 20 0 BCADLO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1c[nH]nn1 ZINC000646142189 388155950 /nfs/dbraw/zinc/15/59/50/388155950.db2.gz APBNFGKFPMYBSF-NSHDSACASA-N 1 2 245.286 0.429 20 0 BCADLO CC[C@H]1COCCN1c1[nH+]cnc2c1cnn2C ZINC000172281867 388156028 /nfs/dbraw/zinc/15/60/28/388156028.db2.gz JIKGTKRGYLHLEN-VIFPVBQESA-N 1 2 247.302 0.979 20 0 BCADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CO)C2)n1C ZINC000172421288 388159564 /nfs/dbraw/zinc/15/95/64/388159564.db2.gz GFSZQYIPCIBMFL-SNVBAGLBSA-N 1 2 238.335 0.582 20 0 BCADLO CCc1nnc(C[N@H+]2CCC[C@@H](CO)C2)n1C ZINC000172421288 388159566 /nfs/dbraw/zinc/15/95/66/388159566.db2.gz GFSZQYIPCIBMFL-SNVBAGLBSA-N 1 2 238.335 0.582 20 0 BCADLO Cn1cccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258168 388171864 /nfs/dbraw/zinc/17/18/64/388171864.db2.gz IKPAJXCZHGYYTM-UHFFFAOYSA-N 1 2 230.271 0.947 20 0 BCADLO Cn1cccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258168 388171866 /nfs/dbraw/zinc/17/18/66/388171866.db2.gz IKPAJXCZHGYYTM-UHFFFAOYSA-N 1 2 230.271 0.947 20 0 BCADLO Cn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cn1 ZINC000646260818 388171903 /nfs/dbraw/zinc/17/19/03/388171903.db2.gz KLAMZQQFYFZTNE-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO Cn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000646260818 388171904 /nfs/dbraw/zinc/17/19/04/388171904.db2.gz KLAMZQQFYFZTNE-UHFFFAOYSA-N 1 2 231.259 0.342 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)n(C)n1 ZINC000646258037 388172082 /nfs/dbraw/zinc/17/20/82/388172082.db2.gz ZGABCRXPGGUFPQ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)n(C)n1 ZINC000646258037 388172083 /nfs/dbraw/zinc/17/20/83/388172083.db2.gz ZGABCRXPGGUFPQ-UHFFFAOYSA-N 1 2 245.286 0.650 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)on1 ZINC000646260986 388172877 /nfs/dbraw/zinc/17/28/77/388172877.db2.gz VYLKUQBNIVHWHZ-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)on1 ZINC000646260986 388172878 /nfs/dbraw/zinc/17/28/78/388172878.db2.gz VYLKUQBNIVHWHZ-UHFFFAOYSA-N 1 2 232.243 0.905 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000454443405 388118157 /nfs/dbraw/zinc/11/81/57/388118157.db2.gz RHCAUGJCTRICAU-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO C[C@H](F)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000454443405 388118158 /nfs/dbraw/zinc/11/81/58/388118158.db2.gz RHCAUGJCTRICAU-VHSXEESVSA-N 1 2 247.314 0.364 20 0 BCADLO CC/C=C/CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000454446743 388118196 /nfs/dbraw/zinc/11/81/96/388118196.db2.gz UWPRCFJPBPRSFH-ZWNMCFTASA-N 1 2 241.335 0.582 20 0 BCADLO CC/C=C/CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000454446743 388118197 /nfs/dbraw/zinc/11/81/97/388118197.db2.gz UWPRCFJPBPRSFH-ZWNMCFTASA-N 1 2 241.335 0.582 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171094308 388121024 /nfs/dbraw/zinc/12/10/24/388121024.db2.gz GFELVLOPUZTNOE-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171094308 388121026 /nfs/dbraw/zinc/12/10/26/388121026.db2.gz GFELVLOPUZTNOE-UHFFFAOYSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@H]1O ZINC000249504856 388126075 /nfs/dbraw/zinc/12/60/75/388126075.db2.gz HOGJWPMAHQCEKW-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)CC[C@H]1O ZINC000249504856 388126077 /nfs/dbraw/zinc/12/60/77/388126077.db2.gz HOGJWPMAHQCEKW-RKDXNWHRSA-N 1 2 240.307 0.338 20 0 BCADLO COc1nccnc1C[N@H+](C)CCn1cccn1 ZINC000449032647 388133212 /nfs/dbraw/zinc/13/32/12/388133212.db2.gz APFHTMSOHXRTFI-UHFFFAOYSA-N 1 2 247.302 0.814 20 0 BCADLO COc1nccnc1C[N@@H+](C)CCn1cccn1 ZINC000449032647 388133215 /nfs/dbraw/zinc/13/32/15/388133215.db2.gz APFHTMSOHXRTFI-UHFFFAOYSA-N 1 2 247.302 0.814 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261528105 135152918 /nfs/dbraw/zinc/15/29/18/135152918.db2.gz IMZXVNTXCMKARM-RQJHMYQMSA-N 1 2 206.236 0.898 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1cn2ccccc2[nH+]1 ZINC000646121998 388146593 /nfs/dbraw/zinc/14/65/93/388146593.db2.gz IQMWADCGWRKTLZ-JTQLQIEISA-N 1 2 244.298 0.954 20 0 BCADLO C[C@H]1C(=O)N(C)CN1Cc1c[nH+]cn1C ZINC000646123757 388146981 /nfs/dbraw/zinc/14/69/81/388146981.db2.gz FIEKCUKGYMCYHO-QMMMGPOBSA-N 1 2 208.265 0.040 20 0 BCADLO COc1cc[nH+]c(CN2CN(C)C(=O)[C@@H]2C)c1 ZINC000646122825 388147894 /nfs/dbraw/zinc/14/78/94/388147894.db2.gz DFYJZSTWLZDNKS-VIFPVBQESA-N 1 2 235.287 0.710 20 0 BCADLO C[C@@H]1COCCN1CC[NH+]1CCOCC1 ZINC000195233879 388149291 /nfs/dbraw/zinc/14/92/91/388149291.db2.gz GWCHVCTWFIHDOS-LLVKDONJSA-N 1 2 214.309 0.039 20 0 BCADLO C[C@H](Nc1cc(CO)cc[nH+]1)C(=O)N(C)C ZINC000641529935 388151086 /nfs/dbraw/zinc/15/10/86/388151086.db2.gz JDJAWVNBQPPFDO-QMMMGPOBSA-N 1 2 223.276 0.463 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937921 388253211 /nfs/dbraw/zinc/25/32/11/388253211.db2.gz GVOYUJXZULJDJM-IUCAKERBSA-N 1 2 247.289 0.276 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937921 388253212 /nfs/dbraw/zinc/25/32/12/388253212.db2.gz GVOYUJXZULJDJM-IUCAKERBSA-N 1 2 247.289 0.276 20 0 BCADLO CC(C)O[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000645945388 388257155 /nfs/dbraw/zinc/25/71/55/388257155.db2.gz BKVCBCNXVCIWME-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO CC(C)O[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000645945388 388257157 /nfs/dbraw/zinc/25/71/57/388257157.db2.gz BKVCBCNXVCIWME-SNVBAGLBSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449502450 388219463 /nfs/dbraw/zinc/21/94/63/388219463.db2.gz GRCRAJWQGZXRBW-YPMHNXCESA-N 1 2 241.331 0.936 20 0 BCADLO CCc1ncncc1C(=O)N1CC[NH+](C)CC1 ZINC000517980203 256557449 /nfs/dbraw/zinc/55/74/49/256557449.db2.gz NUUOMYXIZWEBPP-UHFFFAOYSA-N 1 2 234.303 0.427 20 0 BCADLO COCC[N@H+](Cc1ccn(C)n1)[C@H]1CCOC1 ZINC000490040593 388231336 /nfs/dbraw/zinc/23/13/36/388231336.db2.gz FCADGSMMSKWYGE-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO COCC[N@@H+](Cc1ccn(C)n1)[C@H]1CCOC1 ZINC000490040593 388231338 /nfs/dbraw/zinc/23/13/38/388231338.db2.gz FCADGSMMSKWYGE-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1CN(C)C(=O)[C@@H]1C ZINC000646328858 388234945 /nfs/dbraw/zinc/23/49/45/388234945.db2.gz YZHZRRYZFSECDJ-VIFPVBQESA-N 1 2 248.286 0.464 20 0 BCADLO CC(C)OC(=O)[C@@H]([NH2+]CCO)C(C)C ZINC000451605487 388281164 /nfs/dbraw/zinc/28/11/64/388281164.db2.gz MSELWBBWDZMVHP-VIFPVBQESA-N 1 2 203.282 0.545 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451638446 388286089 /nfs/dbraw/zinc/28/60/89/388286089.db2.gz GQEQMGZHCSRFBH-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451638446 388286091 /nfs/dbraw/zinc/28/60/91/388286091.db2.gz GQEQMGZHCSRFBH-VIFPVBQESA-N 1 2 228.292 0.148 20 0 BCADLO Cn1nnnc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451643915 388287254 /nfs/dbraw/zinc/28/72/54/388287254.db2.gz ALKYOPPYKKOPMF-SECBINFHSA-N 1 2 239.348 0.538 20 0 BCADLO Cn1nnnc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451643915 388287255 /nfs/dbraw/zinc/28/72/55/388287255.db2.gz ALKYOPPYKKOPMF-SECBINFHSA-N 1 2 239.348 0.538 20 0 BCADLO CC[C@@H]1C[N@H+](CC)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000451745876 388293627 /nfs/dbraw/zinc/29/36/27/388293627.db2.gz YHDBQMVTSHPPTG-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO CC[C@@H]1C[N@@H+](CC)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000451745876 388293628 /nfs/dbraw/zinc/29/36/28/388293628.db2.gz YHDBQMVTSHPPTG-SECBINFHSA-N 1 2 239.323 0.426 20 0 BCADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000492019973 388331943 /nfs/dbraw/zinc/33/19/43/388331943.db2.gz PKQLIDIPPIKUSZ-OHVQCGIBSA-N 1 2 247.298 0.677 20 0 BCADLO Cn1cc[nH+]c1C[S@@](=O)C[C@H]1CCCO1 ZINC000491558584 388303832 /nfs/dbraw/zinc/30/38/32/388303832.db2.gz GJLQOFHQSSJXOO-PSLIRLAXSA-N 1 2 228.317 0.848 20 0 BCADLO Cn1cc[nH+]c1C[S@](=O)C[C@H]1CCCO1 ZINC000491558585 388303905 /nfs/dbraw/zinc/30/39/05/388303905.db2.gz GJLQOFHQSSJXOO-RFAUZJTJSA-N 1 2 228.317 0.848 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\C2CCC2)C1 ZINC000492039549 388332452 /nfs/dbraw/zinc/33/24/52/388332452.db2.gz AHXXNVMRVKOCPS-FJOGCWAESA-N 1 2 238.331 0.790 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C\C2CCC2)C1 ZINC000492039549 388332453 /nfs/dbraw/zinc/33/24/53/388332453.db2.gz AHXXNVMRVKOCPS-FJOGCWAESA-N 1 2 238.331 0.790 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000491790950 388321317 /nfs/dbraw/zinc/32/13/17/388321317.db2.gz BRCJYJWYDOCGNS-YWNGCXQYSA-N 1 2 237.347 0.481 20 0 BCADLO C/C=C/C=C\C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000491790950 388321318 /nfs/dbraw/zinc/32/13/18/388321318.db2.gz BRCJYJWYDOCGNS-YWNGCXQYSA-N 1 2 237.347 0.481 20 0 BCADLO CCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491831640 388324102 /nfs/dbraw/zinc/32/41/02/388324102.db2.gz JVHOCWMAMYZVMF-MRVPVSSYSA-N 1 2 229.305 0.137 20 0 BCADLO CCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491831641 388324104 /nfs/dbraw/zinc/32/41/04/388324104.db2.gz JVHOCWMAMYZVMF-QMMMGPOBSA-N 1 2 229.305 0.137 20 0 BCADLO CSC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000491956016 388329625 /nfs/dbraw/zinc/32/96/25/388329625.db2.gz LXNYLTSVQLJFLO-VIFPVBQESA-N 1 2 229.349 0.576 20 0 BCADLO CSC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000491956016 388329626 /nfs/dbraw/zinc/32/96/26/388329626.db2.gz LXNYLTSVQLJFLO-VIFPVBQESA-N 1 2 229.349 0.576 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000462343233 388266378 /nfs/dbraw/zinc/26/63/78/388266378.db2.gz XEAPHXKABBAGMR-DOFRTFSJSA-N 1 2 205.261 0.798 20 0 BCADLO Cc1noc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000645957365 388275125 /nfs/dbraw/zinc/27/51/25/388275125.db2.gz FDHSHDLCZJIRDI-LURJTMIESA-N 1 2 224.264 0.246 20 0 BCADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451490141 388277653 /nfs/dbraw/zinc/27/76/53/388277653.db2.gz CWSYFMNVWNTKRJ-IEBDPFPHSA-N 1 2 225.288 0.707 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H](O)C1 ZINC000492293866 388340762 /nfs/dbraw/zinc/34/07/62/388340762.db2.gz GTPHFEPIGINTPM-UMBAGQNISA-N 1 2 235.287 0.509 20 0 BCADLO Cc1noc(C)c1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230009316 388348156 /nfs/dbraw/zinc/34/81/56/388348156.db2.gz IQFYPBVESZICLS-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1noc(C)c1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230009316 388348157 /nfs/dbraw/zinc/34/81/57/388348157.db2.gz IQFYPBVESZICLS-GZMMTYOYSA-N 1 2 240.303 0.873 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)on1 ZINC000230012149 388348311 /nfs/dbraw/zinc/34/83/11/388348311.db2.gz QZACPEKCORZTIC-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)on1 ZINC000230012149 388348314 /nfs/dbraw/zinc/34/83/14/388348314.db2.gz QZACPEKCORZTIC-GXSJLCMTSA-N 1 2 226.276 0.565 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@@](C)(O)C1 ZINC000234784824 388360171 /nfs/dbraw/zinc/36/01/71/388360171.db2.gz JYFNOSPBXMWHCN-SNVBAGLBSA-N 1 2 224.264 0.029 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@@](C)(O)C1 ZINC000234784824 388360176 /nfs/dbraw/zinc/36/01/76/388360176.db2.gz JYFNOSPBXMWHCN-SNVBAGLBSA-N 1 2 224.264 0.029 20 0 BCADLO C[C@H]1COCCN1c1nc[nH+]c(N)c1Cl ZINC000227847398 388371635 /nfs/dbraw/zinc/37/16/35/388371635.db2.gz RKSKNGNCIOWVBB-LURJTMIESA-N 1 2 228.683 0.937 20 0 BCADLO O=C1NCCN1[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000572743268 388372416 /nfs/dbraw/zinc/37/24/16/388372416.db2.gz OYMJJDCPYARDKZ-SNVBAGLBSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000572743268 388372420 /nfs/dbraw/zinc/37/24/20/388372420.db2.gz OYMJJDCPYARDKZ-SNVBAGLBSA-N 1 2 249.318 0.399 20 0 BCADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000572743268 388372422 /nfs/dbraw/zinc/37/24/22/388372422.db2.gz OYMJJDCPYARDKZ-SNVBAGLBSA-N 1 2 249.318 0.399 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1C ZINC000305768906 388373944 /nfs/dbraw/zinc/37/39/44/388373944.db2.gz VDSHDHDFBINLBU-UWVGGRQHSA-N 1 2 238.335 0.580 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)n1C ZINC000305768906 388373945 /nfs/dbraw/zinc/37/39/45/388373945.db2.gz VDSHDHDFBINLBU-UWVGGRQHSA-N 1 2 238.335 0.580 20 0 BCADLO CCOC(=O)[C@@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000236945324 388386525 /nfs/dbraw/zinc/38/65/25/388386525.db2.gz IXCBPPBIIOWYSV-JOYOIKCWSA-N 1 2 242.319 0.301 20 0 BCADLO CCN(Cc1cccc(NC(=O)C[NH3+])c1)C(C)=O ZINC000236944732 388386876 /nfs/dbraw/zinc/38/68/76/388386876.db2.gz GBMNKNPTXHNPCG-UHFFFAOYSA-N 1 2 249.314 0.952 20 0 BCADLO COC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000648806672 388390158 /nfs/dbraw/zinc/39/01/58/388390158.db2.gz SQEGPOBDXYUKMB-UHFFFAOYSA-N 1 2 209.249 0.513 20 0 BCADLO CCn1nccc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000492209908 388338250 /nfs/dbraw/zinc/33/82/50/388338250.db2.gz VVPXMLDNMFFJFB-ARJAWSKDSA-N 1 2 245.286 0.956 20 0 BCADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC(O)CC1 ZINC000492247387 388339345 /nfs/dbraw/zinc/33/93/45/388339345.db2.gz AJNJNOSBOPWEBV-ARJAWSKDSA-N 1 2 249.314 0.900 20 0 BCADLO Cc1nc2n(n1)CC[N@H+](CC1(F)CC1)C2 ZINC000525978282 388441891 /nfs/dbraw/zinc/44/18/91/388441891.db2.gz WMSIHHMBYVHKBM-UHFFFAOYSA-N 1 2 210.256 0.904 20 0 BCADLO Cc1nc2n(n1)CC[N@@H+](CC1(F)CC1)C2 ZINC000525978282 388441895 /nfs/dbraw/zinc/44/18/95/388441895.db2.gz WMSIHHMBYVHKBM-UHFFFAOYSA-N 1 2 210.256 0.904 20 0 BCADLO CCCC[C@H]([NH2+][C@@H](C)CC(=O)NC)C(=O)OC ZINC000322631704 388442186 /nfs/dbraw/zinc/44/21/86/388442186.db2.gz RGJFUJNXLYDFOI-UWVGGRQHSA-N 1 2 244.335 0.832 20 0 BCADLO CCOC(=O)CNC(C)(C)C[NH+]1CCOCC1 ZINC000308578732 388443695 /nfs/dbraw/zinc/44/36/95/388443695.db2.gz OGYBAUCZDZMFMR-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CCOC(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308578732 388443699 /nfs/dbraw/zinc/44/36/99/388443699.db2.gz OGYBAUCZDZMFMR-UHFFFAOYSA-N 1 2 244.335 0.250 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000331211247 388444559 /nfs/dbraw/zinc/44/45/59/388444559.db2.gz RNWCLLYSONUGFM-NSHDSACASA-N 1 2 225.292 0.406 20 0 BCADLO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccon1 ZINC000393973984 388448105 /nfs/dbraw/zinc/44/81/05/388448105.db2.gz UEZMRIVREVUACJ-JGVFFNPUSA-N 1 2 225.248 0.776 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646744132 388452239 /nfs/dbraw/zinc/45/22/39/388452239.db2.gz CQMRCYXUINNETI-ZJUUUORDSA-N 1 2 221.260 0.260 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000649201364 388457250 /nfs/dbraw/zinc/45/72/50/388457250.db2.gz BWJWZGGXYJDVFG-MWLCHTKSSA-N 1 2 237.303 0.334 20 0 BCADLO Cn1ccnc1C[NH2+]C(C)(C)CS(C)(=O)=O ZINC000336657361 388459562 /nfs/dbraw/zinc/45/95/62/388459562.db2.gz AXPASBYBAKUBGJ-UHFFFAOYSA-N 1 2 245.348 0.333 20 0 BCADLO COCC(=O)NCCCCn1cc[nH+]c1 ZINC000060408444 388459638 /nfs/dbraw/zinc/45/96/38/388459638.db2.gz JLHWATDGZQTQAL-UHFFFAOYSA-N 1 2 211.265 0.426 20 0 BCADLO CN(CC[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000074914809 388462371 /nfs/dbraw/zinc/46/23/71/388462371.db2.gz DDARHJJKXWRIFX-UHFFFAOYSA-N 1 2 243.351 0.759 20 0 BCADLO Cc1c[nH]nc1C[NH2+]CC(=O)NCC1CC1 ZINC000336702706 388465230 /nfs/dbraw/zinc/46/52/30/388465230.db2.gz OGQGPUFHRGTQCG-UHFFFAOYSA-N 1 2 222.292 0.334 20 0 BCADLO COC(=O)[C@@H]1C[N@H+](Cc2noc(C)n2)C[C@H]1C ZINC000094997026 388473794 /nfs/dbraw/zinc/47/37/94/388473794.db2.gz DYXPCWPBQOEFKR-VXNVDRBHSA-N 1 2 239.275 0.619 20 0 BCADLO COC(=O)[C@@H]1C[N@@H+](Cc2noc(C)n2)C[C@H]1C ZINC000094997026 388473797 /nfs/dbraw/zinc/47/37/97/388473797.db2.gz DYXPCWPBQOEFKR-VXNVDRBHSA-N 1 2 239.275 0.619 20 0 BCADLO Cc1csc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000174687408 388410613 /nfs/dbraw/zinc/41/06/13/388410613.db2.gz FZPMKYZSEREWKT-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO Cc1csc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000174687408 388410616 /nfs/dbraw/zinc/41/06/16/388410616.db2.gz FZPMKYZSEREWKT-MRVPVSSYSA-N 1 2 241.316 0.721 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H](C)C[C@@H](C)O ZINC000165783031 388411080 /nfs/dbraw/zinc/41/10/80/388411080.db2.gz RYQBAXJGCZVJRL-NKWVEPMBSA-N 1 2 226.280 0.639 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H](C)C[C@@H](C)O ZINC000165783031 388411084 /nfs/dbraw/zinc/41/10/84/388411084.db2.gz RYQBAXJGCZVJRL-NKWVEPMBSA-N 1 2 226.280 0.639 20 0 BCADLO CC1=C[C@@H](C)C[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000573060935 388414498 /nfs/dbraw/zinc/41/44/98/388414498.db2.gz BYMABWUCSVCDIE-SSDOTTSWSA-N 1 2 208.265 0.908 20 0 BCADLO CC1=C[C@@H](C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000573060935 388414501 /nfs/dbraw/zinc/41/45/01/388414501.db2.gz BYMABWUCSVCDIE-SSDOTTSWSA-N 1 2 208.265 0.908 20 0 BCADLO Cc1n[nH]cc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000646721543 388430882 /nfs/dbraw/zinc/43/08/82/388430882.db2.gz PJECMOIWTNLLKX-UHFFFAOYSA-N 1 2 236.319 0.676 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H]2C[C@H]21 ZINC000646729008 388437786 /nfs/dbraw/zinc/43/77/86/388437786.db2.gz WLIXVOKLTVNTBS-ZJUUUORDSA-N 1 2 221.260 0.342 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H]2C[C@H]21 ZINC000646729008 388437789 /nfs/dbraw/zinc/43/77/89/388437789.db2.gz WLIXVOKLTVNTBS-ZJUUUORDSA-N 1 2 221.260 0.342 20 0 BCADLO Nc1ccc(CNc2nccn3cnnc23)c[nH+]1 ZINC000308391454 388437984 /nfs/dbraw/zinc/43/79/84/388437984.db2.gz MPDZEYJLLRXDHD-UHFFFAOYSA-N 1 2 241.258 0.714 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[C@H]1C ZINC000246076756 388437988 /nfs/dbraw/zinc/43/79/88/388437988.db2.gz DUHMIHJDBOWILX-MXWKQRLJSA-N 1 2 241.335 0.415 20 0 BCADLO O[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)CC12CC2 ZINC000517066450 388537204 /nfs/dbraw/zinc/53/72/04/388537204.db2.gz ZNIGVENENMKPRU-SNVBAGLBSA-N 1 2 248.330 0.571 20 0 BCADLO O[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)CC12CC2 ZINC000517066450 388537207 /nfs/dbraw/zinc/53/72/07/388537207.db2.gz ZNIGVENENMKPRU-SNVBAGLBSA-N 1 2 248.330 0.571 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000517152952 388539478 /nfs/dbraw/zinc/53/94/78/388539478.db2.gz XHFMYEUMPOONHK-RKDXNWHRSA-N 1 2 223.276 0.636 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000528515432 388540110 /nfs/dbraw/zinc/54/01/10/388540110.db2.gz GOQMWZBYKTYQGY-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO Cc1cnccc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000528515432 388540111 /nfs/dbraw/zinc/54/01/11/388540111.db2.gz GOQMWZBYKTYQGY-GFCCVEGCSA-N 1 2 249.314 0.466 20 0 BCADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000528519112 388540780 /nfs/dbraw/zinc/54/07/80/388540780.db2.gz SNBSKMBVFYRVAL-GNJCPQTGSA-N 1 2 232.711 0.705 20 0 BCADLO C/C(Cl)=C/C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000528519112 388540783 /nfs/dbraw/zinc/54/07/83/388540783.db2.gz SNBSKMBVFYRVAL-GNJCPQTGSA-N 1 2 232.711 0.705 20 0 BCADLO Cc1nc(C)c(C(=O)NCCc2c[nH+]cn2C)o1 ZINC000548460450 388541170 /nfs/dbraw/zinc/54/11/70/388541170.db2.gz NPXACAPBTTUPIY-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000528517596 388541620 /nfs/dbraw/zinc/54/16/20/388541620.db2.gz AVFNTJKCVNQAED-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000528517596 388541621 /nfs/dbraw/zinc/54/16/21/388541621.db2.gz AVFNTJKCVNQAED-WCQYABFASA-N 1 2 236.315 0.972 20 0 BCADLO Cn1nccc1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000517214806 388541755 /nfs/dbraw/zinc/54/17/55/388541755.db2.gz YGUWGXCQUYTZKC-UHFFFAOYSA-N 1 2 245.286 0.243 20 0 BCADLO CCC[C@](C)([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353721179 388543692 /nfs/dbraw/zinc/54/36/92/388543692.db2.gz DUMORPRKCVPEII-NSHDSACASA-N 1 2 237.307 0.207 20 0 BCADLO CCN(CC(C)(C)O)C(=O)Cc1c[nH+]cn1C ZINC000548520676 388545824 /nfs/dbraw/zinc/54/58/24/388545824.db2.gz VSRHOPXCCLKVQC-UHFFFAOYSA-N 1 2 239.319 0.582 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC000356281948 388547951 /nfs/dbraw/zinc/54/79/51/388547951.db2.gz OTBOGUPOPNYTGZ-WDEREUQCSA-N 1 2 227.304 0.953 20 0 BCADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC000356281944 388548232 /nfs/dbraw/zinc/54/82/32/388548232.db2.gz OTBOGUPOPNYTGZ-GHMZBOCLSA-N 1 2 227.304 0.953 20 0 BCADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCOC1 ZINC000135060609 388482190 /nfs/dbraw/zinc/48/21/90/388482190.db2.gz WMMWZDHSZBIRPP-QMMMGPOBSA-N 1 2 208.265 0.280 20 0 BCADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCOC1 ZINC000135060609 388482191 /nfs/dbraw/zinc/48/21/91/388482191.db2.gz WMMWZDHSZBIRPP-QMMMGPOBSA-N 1 2 208.265 0.280 20 0 BCADLO Cc1noc(C)c1C(=O)NCCc1c[nH+]cn1C ZINC000547804482 388484457 /nfs/dbraw/zinc/48/44/57/388484457.db2.gz PVHMDQGTKWXUPK-UHFFFAOYSA-N 1 2 248.286 0.997 20 0 BCADLO COC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000648900237 388486257 /nfs/dbraw/zinc/48/62/57/388486257.db2.gz NBHMMAUDWGQHRD-SECBINFHSA-N 1 2 235.287 0.493 20 0 BCADLO C[C@@H](CO)[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340200590 388488365 /nfs/dbraw/zinc/48/83/65/388488365.db2.gz PZBBWQWVYKJLGY-CBAPKCEASA-N 1 2 238.316 0.926 20 0 BCADLO COCCC1CC[NH+](Cc2nnnn2C)CC1 ZINC000528575183 388548565 /nfs/dbraw/zinc/54/85/65/388548565.db2.gz VZRLYNQNPCLEQQ-UHFFFAOYSA-N 1 2 239.323 0.459 20 0 BCADLO Cc1nc(N2C[C@@H](O)C3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000547960761 388498414 /nfs/dbraw/zinc/49/84/14/388498414.db2.gz KYSXWVHYBQQASR-SECBINFHSA-N 1 2 249.318 0.207 20 0 BCADLO Cc1nc(N(C)C)nc(N2C[C@@H](O)C3(CC3)C2)[nH+]1 ZINC000547960761 388498416 /nfs/dbraw/zinc/49/84/16/388498416.db2.gz KYSXWVHYBQQASR-SECBINFHSA-N 1 2 249.318 0.207 20 0 BCADLO CC[C@@]1(C)C[N@H+](CC(=O)NC)CCO1 ZINC000135705687 388505977 /nfs/dbraw/zinc/50/59/77/388505977.db2.gz WXVKQPXKCBLPRE-JTQLQIEISA-N 1 2 200.282 0.233 20 0 BCADLO CC[C@@]1(C)C[N@@H+](CC(=O)NC)CCO1 ZINC000135705687 388505978 /nfs/dbraw/zinc/50/59/78/388505978.db2.gz WXVKQPXKCBLPRE-JTQLQIEISA-N 1 2 200.282 0.233 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2ncc(C3CC3)o2)C1 ZINC000576820538 388506939 /nfs/dbraw/zinc/50/69/39/388506939.db2.gz SWCRUFKIKYZPNM-UHFFFAOYSA-N 1 2 235.287 0.859 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@@H]2COC[C@H]2O)oc1C ZINC000285415819 388507325 /nfs/dbraw/zinc/50/73/25/388507325.db2.gz DKICOJNMGIXDFZ-NXEZZACHSA-N 1 2 226.276 0.483 20 0 BCADLO Cc1nc(C[N@H+](C)[C@@H]2COC[C@H]2O)oc1C ZINC000285415819 388507327 /nfs/dbraw/zinc/50/73/27/388507327.db2.gz DKICOJNMGIXDFZ-NXEZZACHSA-N 1 2 226.276 0.483 20 0 BCADLO CC(C)[C@@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548103661 388512268 /nfs/dbraw/zinc/51/22/68/388512268.db2.gz MFCXSIQRAZOLKV-GFCCVEGCSA-N 1 2 237.303 0.673 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1CCn2ccnc21 ZINC000345350819 388512477 /nfs/dbraw/zinc/51/24/77/388512477.db2.gz OPEAARBGVMQFPA-VIFPVBQESA-N 1 2 222.292 0.396 20 0 BCADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)C1CC(O)C1 ZINC000516768488 388516116 /nfs/dbraw/zinc/51/61/16/388516116.db2.gz VSOLFRNTHVSLBK-IEIXJENWSA-N 1 2 241.316 0.125 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1cncs1 ZINC000548132876 388516172 /nfs/dbraw/zinc/51/61/72/388516172.db2.gz RGOVYWIKFKEQQY-UHFFFAOYSA-N 1 2 236.300 0.849 20 0 BCADLO CN(CCC[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000516765610 388516232 /nfs/dbraw/zinc/51/62/32/388516232.db2.gz CKZAJMVYZDWDMF-UHFFFAOYSA-N 1 2 247.342 0.945 20 0 BCADLO CN(CCC[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000516765610 388516233 /nfs/dbraw/zinc/51/62/33/388516233.db2.gz CKZAJMVYZDWDMF-UHFFFAOYSA-N 1 2 247.342 0.945 20 0 BCADLO CC[C@@H](CO)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000345834905 388516648 /nfs/dbraw/zinc/51/66/48/388516648.db2.gz MPGVBKYMKXEXGT-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000345834905 388516653 /nfs/dbraw/zinc/51/66/53/388516653.db2.gz MPGVBKYMKXEXGT-JTQLQIEISA-N 1 2 238.335 0.817 20 0 BCADLO CCC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000516773918 388517027 /nfs/dbraw/zinc/51/70/27/388517027.db2.gz CVWRAOWLFNUYGV-VIFPVBQESA-N 1 2 224.308 0.775 20 0 BCADLO CCC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000516773918 388517030 /nfs/dbraw/zinc/51/70/30/388517030.db2.gz CVWRAOWLFNUYGV-VIFPVBQESA-N 1 2 224.308 0.775 20 0 BCADLO CCOC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000564342123 388517878 /nfs/dbraw/zinc/51/78/78/388517878.db2.gz GKOTVILRZXVZIX-WCBMZHEXSA-N 1 2 243.307 0.768 20 0 BCADLO CCOC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000564342123 388517879 /nfs/dbraw/zinc/51/78/79/388517879.db2.gz GKOTVILRZXVZIX-WCBMZHEXSA-N 1 2 243.307 0.768 20 0 BCADLO Cc1cnccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000528397270 388518859 /nfs/dbraw/zinc/51/88/59/388518859.db2.gz QLGIISYWUJCFJH-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO Cc1cnccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000528397270 388518860 /nfs/dbraw/zinc/51/88/60/388518860.db2.gz QLGIISYWUJCFJH-LBPRGKRZSA-N 1 2 222.288 0.583 20 0 BCADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000528399861 388519572 /nfs/dbraw/zinc/51/95/72/388519572.db2.gz YBNLWNFEDMDSRL-YPNJUMGQSA-N 1 2 229.711 0.838 20 0 BCADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000528399861 388519576 /nfs/dbraw/zinc/51/95/76/388519576.db2.gz YBNLWNFEDMDSRL-YPNJUMGQSA-N 1 2 229.711 0.838 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCCO1 ZINC000548191141 388520683 /nfs/dbraw/zinc/52/06/83/388520683.db2.gz AYUKKUQFRUIBDP-LBPRGKRZSA-N 1 2 237.303 0.648 20 0 BCADLO C/C(Cl)=C/C[N@@H+](C)[C@H]1CCNC1=O ZINC000528427434 388523302 /nfs/dbraw/zinc/52/33/02/388523302.db2.gz WURJIQZNCZQFIR-NZGHECTNSA-N 1 2 202.685 0.949 20 0 BCADLO C/C(Cl)=C/C[N@H+](C)[C@H]1CCNC1=O ZINC000528427434 388523303 /nfs/dbraw/zinc/52/33/03/388523303.db2.gz WURJIQZNCZQFIR-NZGHECTNSA-N 1 2 202.685 0.949 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCCc1ccccn1 ZINC000548254718 388523765 /nfs/dbraw/zinc/52/37/65/388523765.db2.gz MZDIUQMUWCTPDS-UHFFFAOYSA-N 1 2 244.298 0.717 20 0 BCADLO CCn1cnnc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000516978890 388529711 /nfs/dbraw/zinc/52/97/11/388529711.db2.gz ICQYLEWTRCJJRB-SECBINFHSA-N 1 2 237.307 0.577 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCC1(C)CC1 ZINC000516989012 388531425 /nfs/dbraw/zinc/53/14/25/388531425.db2.gz KMERWZLJIQUPNL-UHFFFAOYSA-N 1 2 207.277 0.879 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)c1cc(O)cc(=O)[nH]1 ZINC000646809748 388550186 /nfs/dbraw/zinc/55/01/86/388550186.db2.gz YXUVNZKTTPGWEB-UHFFFAOYSA-N 1 2 234.215 0.146 20 0 BCADLO CC(C)[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000185570246 388588668 /nfs/dbraw/zinc/58/86/68/388588668.db2.gz ZRHHYSHUSVVZPA-NEPJUHHUSA-N 1 2 240.347 0.415 20 0 BCADLO Cc1ncccc1CNC(=O)Cc1c[nH+]cn1C ZINC000529880725 388596096 /nfs/dbraw/zinc/59/60/96/388596096.db2.gz ISWLBVMLVOCPKK-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO Cc1ncccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000529882649 388596754 /nfs/dbraw/zinc/59/67/54/388596754.db2.gz VERSVQVVGXPQFV-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO CC(C)[C@@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000550187177 388601381 /nfs/dbraw/zinc/60/13/81/388601381.db2.gz AFDHHGMHFFQRPP-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000550187177 388601382 /nfs/dbraw/zinc/60/13/82/388601382.db2.gz AFDHHGMHFFQRPP-JTQLQIEISA-N 1 2 239.323 0.457 20 0 BCADLO Cc1nc(N[C@@H](C)[C@H]2CCCCO2)nc(N)[nH+]1 ZINC000379267948 388604126 /nfs/dbraw/zinc/60/41/26/388604126.db2.gz SRGJPOARUFOJKL-IONNQARKSA-N 1 2 237.307 0.384 20 0 BCADLO Cc1nc(N)nc(N[C@@H](C)[C@H]2CCCCO2)[nH+]1 ZINC000379267948 388604129 /nfs/dbraw/zinc/60/41/29/388604129.db2.gz SRGJPOARUFOJKL-IONNQARKSA-N 1 2 237.307 0.384 20 0 BCADLO CC[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CCO1 ZINC000245959397 388611849 /nfs/dbraw/zinc/61/18/49/388611849.db2.gz DCVBTNBUHWECBA-OLZOCXBDSA-N 1 2 242.363 0.818 20 0 BCADLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)nn1C ZINC000356727659 388550847 /nfs/dbraw/zinc/55/08/47/388550847.db2.gz CYNZFAUSMVTIJJ-UHFFFAOYSA-N 1 2 249.274 0.390 20 0 BCADLO O=C(COCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548640164 388550925 /nfs/dbraw/zinc/55/09/25/388550925.db2.gz WJWBYLSSBYYWRG-NSHDSACASA-N 1 2 249.314 0.741 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000548655205 388552147 /nfs/dbraw/zinc/55/21/47/388552147.db2.gz CSERZBSEIPSVCA-VHSXEESVSA-N 1 2 237.303 0.598 20 0 BCADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528630482 388553841 /nfs/dbraw/zinc/55/38/41/388553841.db2.gz SBAKGISQTIWNSN-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO CC[C@@H](F)C[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528630482 388553844 /nfs/dbraw/zinc/55/38/44/388553844.db2.gz SBAKGISQTIWNSN-NXEZZACHSA-N 1 2 247.314 0.364 20 0 BCADLO CC1(C)C[NH+](CC(=O)N2CCc3n[nH]nc3C2)C1 ZINC000517583212 388554982 /nfs/dbraw/zinc/55/49/82/388554982.db2.gz CQWIGOXHBOYACL-UHFFFAOYSA-N 1 2 249.318 0.031 20 0 BCADLO CCOC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000528713995 388559666 /nfs/dbraw/zinc/55/96/66/388559666.db2.gz AEJBIQITSHTAOF-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CCO1 ZINC000528713995 388559667 /nfs/dbraw/zinc/55/96/67/388559667.db2.gz AEJBIQITSHTAOF-QWRGUYRKSA-N 1 2 244.335 0.200 20 0 BCADLO CCOC[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000528732329 388563950 /nfs/dbraw/zinc/56/39/50/388563950.db2.gz PHBCHBGCGIMZIN-LBPRGKRZSA-N 1 2 239.319 0.657 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000528758461 388568387 /nfs/dbraw/zinc/56/83/87/388568387.db2.gz IZPMWSVNHKTJEJ-IBCQBUCCSA-N 1 2 210.281 0.706 20 0 BCADLO C[C@H]([NH2+]CCS(C)(=O)=O)c1ncccc1F ZINC000528824660 388576524 /nfs/dbraw/zinc/57/65/24/388576524.db2.gz FUTLZVZZOWMOKK-QMMMGPOBSA-N 1 2 246.307 0.916 20 0 BCADLO Cc1cocc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000528881409 388580749 /nfs/dbraw/zinc/58/07/49/388580749.db2.gz XUOQFCHHTCMUPQ-LLVKDONJSA-N 1 2 249.314 0.318 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)OC ZINC000224732871 388669737 /nfs/dbraw/zinc/66/97/37/388669737.db2.gz FXZWXWFRLKVPLG-LURJTMIESA-N 1 2 212.253 0.514 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)OC ZINC000224732871 388669740 /nfs/dbraw/zinc/66/97/40/388669740.db2.gz FXZWXWFRLKVPLG-LURJTMIESA-N 1 2 212.253 0.514 20 0 BCADLO CCn1ccnc(N2CC(n3cc[nH+]c3)C2)c1=O ZINC000538004193 388675433 /nfs/dbraw/zinc/67/54/33/388675433.db2.gz KPRDLFNHGYTQKC-UHFFFAOYSA-N 1 2 245.286 0.521 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248618911 388686607 /nfs/dbraw/zinc/68/66/07/388686607.db2.gz LOSBPQJGUOOCEO-XQJJYNOISA-N 1 2 248.392 0.600 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248618911 388686609 /nfs/dbraw/zinc/68/66/09/388686609.db2.gz LOSBPQJGUOOCEO-XQJJYNOISA-N 1 2 248.392 0.600 20 0 BCADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C2CC2)CC1 ZINC000125937942 388683131 /nfs/dbraw/zinc/68/31/31/388683131.db2.gz BLNUVDXZJFOSOT-SNVBAGLBSA-N 1 2 237.347 0.434 20 0 BCADLO C[N@@H+]1CCO[C@@H](CSc2ncccn2)C1 ZINC000551067951 388621207 /nfs/dbraw/zinc/62/12/07/388621207.db2.gz PVOFOBBZSIVVDK-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO C[N@H+]1CCO[C@@H](CSc2ncccn2)C1 ZINC000551067951 388621210 /nfs/dbraw/zinc/62/12/10/388621210.db2.gz PVOFOBBZSIVVDK-SECBINFHSA-N 1 2 225.317 0.899 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1nccn1C(F)F ZINC000551221214 388624069 /nfs/dbraw/zinc/62/40/69/388624069.db2.gz LLEYJHZSKHAGKB-UHFFFAOYSA-N 1 2 246.261 0.846 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1nccn1C(F)F ZINC000551221214 388624072 /nfs/dbraw/zinc/62/40/72/388624072.db2.gz LLEYJHZSKHAGKB-UHFFFAOYSA-N 1 2 246.261 0.846 20 0 BCADLO CSCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189563342 388638309 /nfs/dbraw/zinc/63/83/09/388638309.db2.gz UTRUXZBUSNVTAJ-ZETCQYMHSA-N 1 2 215.326 0.566 20 0 BCADLO CSCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189563342 388638311 /nfs/dbraw/zinc/63/83/11/388638311.db2.gz UTRUXZBUSNVTAJ-ZETCQYMHSA-N 1 2 215.326 0.566 20 0 BCADLO CCOC(=O)C[NH2+][C@H](COC)C(C)C ZINC000083399137 388638589 /nfs/dbraw/zinc/63/85/89/388638589.db2.gz YDKJQKZVIGFPKX-SECBINFHSA-N 1 2 203.282 0.810 20 0 BCADLO CC(C)(NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000521886670 388639779 /nfs/dbraw/zinc/63/97/79/388639779.db2.gz GULUOXDCYMFPGK-MRVPVSSYSA-N 1 2 223.276 0.798 20 0 BCADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CO2 ZINC000530249188 388640561 /nfs/dbraw/zinc/64/05/61/388640561.db2.gz ZONYVZSUCGCGQB-QWRGUYRKSA-N 1 2 235.287 0.663 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCC2)C1 ZINC000125992772 388685122 /nfs/dbraw/zinc/68/51/22/388685122.db2.gz ZYBKPBDPWSTRHB-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CCC2)C1 ZINC000125992772 388685124 /nfs/dbraw/zinc/68/51/24/388685124.db2.gz ZYBKPBDPWSTRHB-SECBINFHSA-N 1 2 212.293 0.376 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOCC(F)F ZINC000190068432 388647265 /nfs/dbraw/zinc/64/72/65/388647265.db2.gz CFCRRSVJJBRTJT-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOCC(F)F ZINC000190068432 388647267 /nfs/dbraw/zinc/64/72/67/388647267.db2.gz CFCRRSVJJBRTJT-MRVPVSSYSA-N 1 2 236.262 0.431 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000530340219 388650590 /nfs/dbraw/zinc/65/05/90/388650590.db2.gz XLXUYXNVHJQCDM-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000530340219 388650593 /nfs/dbraw/zinc/65/05/93/388650593.db2.gz XLXUYXNVHJQCDM-UWVGGRQHSA-N 1 2 239.323 0.772 20 0 BCADLO C[C@@]1(CO)CCC[N@@H+]1Cc1csnn1 ZINC000530390404 388654470 /nfs/dbraw/zinc/65/44/70/388654470.db2.gz RJRUVYUQVCYAOJ-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO C[C@@]1(CO)CCC[N@H+]1Cc1csnn1 ZINC000530390404 388654472 /nfs/dbraw/zinc/65/44/72/388654472.db2.gz RJRUVYUQVCYAOJ-VIFPVBQESA-N 1 2 213.306 0.885 20 0 BCADLO CC[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000191433581 388663325 /nfs/dbraw/zinc/66/33/25/388663325.db2.gz HORYHRKWJCJQTN-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO CC[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000191433581 388663328 /nfs/dbraw/zinc/66/33/28/388663328.db2.gz HORYHRKWJCJQTN-CHWSQXEVSA-N 1 2 242.363 0.818 20 0 BCADLO CCOC(=O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258364 388737308 /nfs/dbraw/zinc/73/73/08/388737308.db2.gz ONALLSZFBRFYQF-UHFFFAOYSA-N 1 2 237.259 0.220 20 0 BCADLO O=C([C@@H]1CCCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000522258010 388738123 /nfs/dbraw/zinc/73/81/23/388738123.db2.gz OPTMQRYFQZFENW-SNVBAGLBSA-N 1 2 235.287 0.693 20 0 BCADLO COC[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000194669604 388738701 /nfs/dbraw/zinc/73/87/01/388738701.db2.gz ISWQOHKAILYMOO-SNVBAGLBSA-N 1 2 240.307 0.465 20 0 BCADLO Cn1nccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000552931855 388741565 /nfs/dbraw/zinc/74/15/65/388741565.db2.gz APFLNPSZRPUGJM-UHFFFAOYSA-N 1 2 236.319 0.378 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)n1cncn1 ZINC000194737971 388741901 /nfs/dbraw/zinc/74/19/01/388741901.db2.gz AULOOUWIPDCQFW-MRVPVSSYSA-N 1 2 247.258 0.881 20 0 BCADLO CCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522268051 388742020 /nfs/dbraw/zinc/74/20/20/388742020.db2.gz VPRGSZQQQPUXHY-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522268051 388742022 /nfs/dbraw/zinc/74/20/22/388742022.db2.gz VPRGSZQQQPUXHY-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCCC1 ZINC000090008863 388744424 /nfs/dbraw/zinc/74/44/24/388744424.db2.gz FQNNLLOPPLGDKF-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCCC1 ZINC000090008863 388744426 /nfs/dbraw/zinc/74/44/26/388744426.db2.gz FQNNLLOPPLGDKF-LBPRGKRZSA-N 1 2 238.331 0.720 20 0 BCADLO COc1ccc[nH+]c1NC[C@@]1(O)CCOC1 ZINC000227170488 388749472 /nfs/dbraw/zinc/74/94/72/388749472.db2.gz SVKSGVGUHFXRNW-NSHDSACASA-N 1 2 224.260 0.654 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCCOC1 ZINC000553194297 388752730 /nfs/dbraw/zinc/75/27/30/388752730.db2.gz PELMHDDLPZPUEA-SNVBAGLBSA-N 1 2 237.303 0.898 20 0 BCADLO COCC[NH+]1CCN(C(=O)OCC2CC2)CC1 ZINC000192852141 388687067 /nfs/dbraw/zinc/68/70/67/388687067.db2.gz HKVNJXISZBRRSJ-UHFFFAOYSA-N 1 2 242.319 0.797 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ncnn1C ZINC000248857354 388696707 /nfs/dbraw/zinc/69/67/07/388696707.db2.gz WIWHHOUUUVFYQH-ILWJIGKKSA-N 1 2 224.308 0.549 20 0 BCADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ncnn1C ZINC000248857354 388696708 /nfs/dbraw/zinc/69/67/08/388696708.db2.gz WIWHHOUUUVFYQH-ILWJIGKKSA-N 1 2 224.308 0.549 20 0 BCADLO CCc1nc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)no1 ZINC000248937365 388700001 /nfs/dbraw/zinc/70/00/01/388700001.db2.gz NJNUOKLZXLKEOC-RKDXNWHRSA-N 1 2 243.307 0.196 20 0 BCADLO CCc1nc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)no1 ZINC000248937365 388700004 /nfs/dbraw/zinc/70/00/04/388700004.db2.gz NJNUOKLZXLKEOC-RKDXNWHRSA-N 1 2 243.307 0.196 20 0 BCADLO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248958102 388700869 /nfs/dbraw/zinc/70/08/69/388700869.db2.gz GBJTYIGFQVZTNC-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248958102 388700870 /nfs/dbraw/zinc/70/08/70/388700870.db2.gz GBJTYIGFQVZTNC-ZYHUDNBSSA-N 1 2 239.319 0.485 20 0 BCADLO CCOCC[N@H+](C)Cc1ncnn1CC ZINC000193469380 388705026 /nfs/dbraw/zinc/70/50/26/388705026.db2.gz GJCWWUPQYRPPDK-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO CCOCC[N@@H+](C)Cc1ncnn1CC ZINC000193469380 388705028 /nfs/dbraw/zinc/70/50/28/388705028.db2.gz GJCWWUPQYRPPDK-UHFFFAOYSA-N 1 2 212.297 0.766 20 0 BCADLO COC(=O)[C@H]([NH2+][C@H]1CCSC1)[C@H](C)O ZINC000249066666 388707468 /nfs/dbraw/zinc/70/74/68/388707468.db2.gz QIFYZXBEMVPFKI-BIIVOSGPSA-N 1 2 219.306 0.004 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cccnc1OC ZINC000193577311 388709145 /nfs/dbraw/zinc/70/91/45/388709145.db2.gz HIJCRRVMFLMDLL-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cccnc1OC ZINC000193577311 388709147 /nfs/dbraw/zinc/70/91/47/388709147.db2.gz HIJCRRVMFLMDLL-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000249339898 388717916 /nfs/dbraw/zinc/71/79/16/388717916.db2.gz ISNPPXHSWPUQKZ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](OCCOC)C1 ZINC000249339898 388717919 /nfs/dbraw/zinc/71/79/19/388717919.db2.gz ISNPPXHSWPUQKZ-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO Cc1oncc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000249403117 388721118 /nfs/dbraw/zinc/72/11/18/388721118.db2.gz VUMCYPHUDFFLNH-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1oncc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000249403117 388721119 /nfs/dbraw/zinc/72/11/19/388721119.db2.gz VUMCYPHUDFFLNH-JOYOIKCWSA-N 1 2 240.303 0.955 20 0 BCADLO CCOCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552558994 388726226 /nfs/dbraw/zinc/72/62/26/388726226.db2.gz NCNPBKRFUDCGBQ-SECBINFHSA-N 1 2 241.291 0.640 20 0 BCADLO CCOC(=O)C[N@H+](C)C[C@@H](O)COC(C)C ZINC000070069290 388728448 /nfs/dbraw/zinc/72/84/48/388728448.db2.gz YNHLJSUXUHECLG-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COC(C)C ZINC000070069290 388728452 /nfs/dbraw/zinc/72/84/52/388728452.db2.gz YNHLJSUXUHECLG-SNVBAGLBSA-N 1 2 233.308 0.267 20 0 BCADLO O=C(NC1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522241680 388731894 /nfs/dbraw/zinc/73/18/94/388731894.db2.gz XASFDRMULBNLRD-UHFFFAOYSA-N 1 2 229.243 0.555 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539040 388793284 /nfs/dbraw/zinc/79/32/84/388793284.db2.gz ZTPWGCMTFCMIFD-VIFPVBQESA-N 1 2 213.277 0.851 20 0 BCADLO CCOC(=O)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539040 388793290 /nfs/dbraw/zinc/79/32/90/388793290.db2.gz ZTPWGCMTFCMIFD-VIFPVBQESA-N 1 2 213.277 0.851 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C2CCC2)CCO1 ZINC000523056712 388793718 /nfs/dbraw/zinc/79/37/18/388793718.db2.gz YNMAEFKQYPUELO-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C2CCC2)CCO1 ZINC000523056712 388793720 /nfs/dbraw/zinc/79/37/20/388793720.db2.gz YNMAEFKQYPUELO-JTQLQIEISA-N 1 2 226.320 0.623 20 0 BCADLO CCN(C)C(=O)CNc1cc(C)[nH+]cn1 ZINC000229573499 388795155 /nfs/dbraw/zinc/79/51/55/388795155.db2.gz SUGCOOFJPKUZPX-UHFFFAOYSA-N 1 2 208.265 0.675 20 0 BCADLO COCCCOCC[N@H+](C)Cc1nncn1C ZINC000091101642 388758986 /nfs/dbraw/zinc/75/89/86/388758986.db2.gz WAAMXCHLUWABQX-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1nncn1C ZINC000091101642 388758988 /nfs/dbraw/zinc/75/89/88/388758988.db2.gz WAAMXCHLUWABQX-UHFFFAOYSA-N 1 2 242.323 0.300 20 0 BCADLO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000227970663 388762411 /nfs/dbraw/zinc/76/24/11/388762411.db2.gz OOLQLAIZYXHJQC-PSASIEDQSA-N 1 2 211.265 0.039 20 0 BCADLO COC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000539720499 388771956 /nfs/dbraw/zinc/77/19/56/388771956.db2.gz WHIMYCPVIUVATI-IUCAKERBSA-N 1 2 227.264 0.214 20 0 BCADLO COC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000539720499 388771957 /nfs/dbraw/zinc/77/19/57/388771957.db2.gz WHIMYCPVIUVATI-IUCAKERBSA-N 1 2 227.264 0.214 20 0 BCADLO CC[C@@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000228727824 388772842 /nfs/dbraw/zinc/77/28/42/388772842.db2.gz OBRGFBLLFDPXAQ-SNVBAGLBSA-N 1 2 215.293 0.954 20 0 BCADLO Cc1oncc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000128594708 388775625 /nfs/dbraw/zinc/77/56/25/388775625.db2.gz SCHJTCMOFOXFAG-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO Cc1oncc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000128594708 388775629 /nfs/dbraw/zinc/77/56/29/388775629.db2.gz SCHJTCMOFOXFAG-LLVKDONJSA-N 1 2 237.303 0.939 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000553544964 388782088 /nfs/dbraw/zinc/78/20/88/388782088.db2.gz NYFZONGHXZNFKV-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000553544964 388782092 /nfs/dbraw/zinc/78/20/92/388782092.db2.gz NYFZONGHXZNFKV-JTQLQIEISA-N 1 2 229.324 0.368 20 0 BCADLO CC[C@H]1CO[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000555228090 388843369 /nfs/dbraw/zinc/84/33/69/388843369.db2.gz BIAURGCOSXSJEX-MNOVXSKESA-N 1 2 237.303 0.909 20 0 BCADLO CC[C@@H]1CO[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000555228089 388843377 /nfs/dbraw/zinc/84/33/77/388843377.db2.gz BIAURGCOSXSJEX-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO COCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000554544189 388820447 /nfs/dbraw/zinc/82/04/47/388820447.db2.gz RWRYVQMMDUGWSR-VIFPVBQESA-N 1 2 225.292 0.504 20 0 BCADLO C[C@H]1C[N@H+](CC2(F)CC2)CC(=O)N1C ZINC000554574489 388823123 /nfs/dbraw/zinc/82/31/23/388823123.db2.gz TYFHZPZKRPFAFF-QMMMGPOBSA-N 1 2 200.257 0.651 20 0 BCADLO C[C@H]1C[N@@H+](CC2(F)CC2)CC(=O)N1C ZINC000554574489 388823124 /nfs/dbraw/zinc/82/31/24/388823124.db2.gz TYFHZPZKRPFAFF-QMMMGPOBSA-N 1 2 200.257 0.651 20 0 BCADLO COC(=O)C[N@H+](C)CCc1ccnn1C ZINC000230885878 388831936 /nfs/dbraw/zinc/83/19/36/388831936.db2.gz HNHOOGWKKNMUEG-UHFFFAOYSA-N 1 2 211.265 0.067 20 0 BCADLO COC(=O)C[N@@H+](C)CCc1ccnn1C ZINC000230885878 388831940 /nfs/dbraw/zinc/83/19/40/388831940.db2.gz HNHOOGWKKNMUEG-UHFFFAOYSA-N 1 2 211.265 0.067 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1CCSC1 ZINC000231445110 388836734 /nfs/dbraw/zinc/83/67/34/388836734.db2.gz SZXWWCRXFMWMEN-ZCFIWIBFSA-N 1 2 226.305 0.985 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1CCSC1 ZINC000231445110 388836739 /nfs/dbraw/zinc/83/67/39/388836739.db2.gz SZXWWCRXFMWMEN-ZCFIWIBFSA-N 1 2 226.305 0.985 20 0 BCADLO CC(C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523375505 388837100 /nfs/dbraw/zinc/83/71/00/388837100.db2.gz XXYCXXGDCJPMOV-UHFFFAOYSA-N 1 2 231.259 0.801 20 0 BCADLO COC(=O)[C@H](NCc1[nH+]ccn1C)C1CC1 ZINC000231789131 388842998 /nfs/dbraw/zinc/84/29/98/388842998.db2.gz QQENRWSEXFTSLX-SNVBAGLBSA-N 1 2 223.276 0.461 20 0 BCADLO O=C(C[C@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000523680381 388851610 /nfs/dbraw/zinc/85/16/10/388851610.db2.gz VAEBCPHWPMYIOF-LLVKDONJSA-N 1 2 235.287 0.836 20 0 BCADLO CCO[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523698366 388854189 /nfs/dbraw/zinc/85/41/89/388854189.db2.gz BMNDCQHXAPXMAB-VIFPVBQESA-N 1 2 223.276 0.691 20 0 BCADLO COC[C@@](C)([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000541581718 388858555 /nfs/dbraw/zinc/85/85/55/388858555.db2.gz RDWLAWZSNYXNJB-ZYHUDNBSSA-N 1 2 245.319 0.581 20 0 BCADLO COC[C@](C)([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000541581714 388858975 /nfs/dbraw/zinc/85/89/75/388858975.db2.gz RDWLAWZSNYXNJB-JQWIXIFHSA-N 1 2 245.319 0.581 20 0 BCADLO Cn1ncc2c1nc(NC[C@H]1CCCO1)[nH+]c2N ZINC000302581681 388847469 /nfs/dbraw/zinc/84/74/69/388847469.db2.gz UBZYKKPZQCTYHZ-SSDOTTSWSA-N 1 2 248.290 0.536 20 0 BCADLO CC(=O)NCCNc1nc[nH+]c(N)c1Cl ZINC000232454373 388851051 /nfs/dbraw/zinc/85/10/51/388851051.db2.gz RIHPTLCLCBMHCC-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO CC(=O)NCCNc1[nH+]cnc(N)c1Cl ZINC000232454373 388851054 /nfs/dbraw/zinc/85/10/54/388851054.db2.gz RIHPTLCLCBMHCC-UHFFFAOYSA-N 1 2 229.671 0.260 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCn2nncc2C1 ZINC000564584250 388880015 /nfs/dbraw/zinc/88/00/15/388880015.db2.gz JGSOMMVPQLRQRT-JQWIXIFHSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCn2nncc2C1 ZINC000564584250 388880018 /nfs/dbraw/zinc/88/00/18/388880018.db2.gz JGSOMMVPQLRQRT-JQWIXIFHSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2nncc2C1 ZINC000564584251 388880191 /nfs/dbraw/zinc/88/01/91/388880191.db2.gz JGSOMMVPQLRQRT-PWSUYJOCSA-N 1 2 236.319 0.645 20 0 BCADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCn2nncc2C1 ZINC000564584251 388880192 /nfs/dbraw/zinc/88/01/92/388880192.db2.gz JGSOMMVPQLRQRT-PWSUYJOCSA-N 1 2 236.319 0.645 20 0 BCADLO C[C@H](C[N@@H+]1CCOCC1(C)C)CS(C)(=O)=O ZINC000163110883 388880550 /nfs/dbraw/zinc/88/05/50/388880550.db2.gz NCOVNQDVAOUYLM-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO C[C@H](C[N@H+]1CCOCC1(C)C)CS(C)(=O)=O ZINC000163110883 388880552 /nfs/dbraw/zinc/88/05/52/388880552.db2.gz NCOVNQDVAOUYLM-SNVBAGLBSA-N 1 2 249.376 0.778 20 0 BCADLO OCCOCC[N@H+]1Cc2cccnc2C1 ZINC000564652097 388883832 /nfs/dbraw/zinc/88/38/32/388883832.db2.gz UENSCTPTCMVPCD-UHFFFAOYSA-N 1 2 208.261 0.406 20 0 BCADLO OCCOCC[N@@H+]1Cc2cccnc2C1 ZINC000564652097 388883830 /nfs/dbraw/zinc/88/38/30/388883830.db2.gz UENSCTPTCMVPCD-UHFFFAOYSA-N 1 2 208.261 0.406 20 0 BCADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1cscn1 ZINC000290184930 388885508 /nfs/dbraw/zinc/88/55/08/388885508.db2.gz RHAYWFXEBVLFPD-IUCAKERBSA-N 1 2 214.290 0.647 20 0 BCADLO CC(C)OC[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000564799008 388889442 /nfs/dbraw/zinc/88/94/42/388889442.db2.gz FIXKYLSMXNKOKX-RKDXNWHRSA-N 1 2 241.278 0.378 20 0 BCADLO CC(C)(C(=O)N[C@@H]1CC[C@H]1O)c1c[nH]c[nH+]1 ZINC000564871111 388896454 /nfs/dbraw/zinc/89/64/54/388896454.db2.gz KQIAQYRGNZOZTE-HTQZYQBOSA-N 1 2 223.276 0.327 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@@H]1CO ZINC000564897507 388896856 /nfs/dbraw/zinc/89/68/56/388896856.db2.gz LPXKOQOAYNEYBQ-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@@H]1CO ZINC000564897507 388896858 /nfs/dbraw/zinc/89/68/58/388896858.db2.gz LPXKOQOAYNEYBQ-SNVBAGLBSA-N 1 2 236.319 0.649 20 0 BCADLO C[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000565108440 388916307 /nfs/dbraw/zinc/91/63/07/388916307.db2.gz XQUSIYFSIZFWHF-VIFPVBQESA-N 1 2 209.249 0.130 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](F)C1 ZINC000565142711 388917069 /nfs/dbraw/zinc/91/70/69/388917069.db2.gz ISAPPSZEHWOFTO-VIFPVBQESA-N 1 2 225.267 0.923 20 0 BCADLO Cc1nnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n1C ZINC000565196859 388924282 /nfs/dbraw/zinc/92/42/82/388924282.db2.gz ZUUVWFYTEKXQPU-MRVPVSSYSA-N 1 2 237.307 0.402 20 0 BCADLO CCn1cnnc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565203103 388925330 /nfs/dbraw/zinc/92/53/30/388925330.db2.gz GSGXAQXCQVDEBV-QMMMGPOBSA-N 1 2 248.290 0.838 20 0 BCADLO CCn1cnnc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565203103 388925334 /nfs/dbraw/zinc/92/53/34/388925334.db2.gz GSGXAQXCQVDEBV-QMMMGPOBSA-N 1 2 248.290 0.838 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1cnn(C)c1C ZINC000565216950 388927268 /nfs/dbraw/zinc/92/72/68/388927268.db2.gz YJILGWGGNXFKAG-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565314027 388937033 /nfs/dbraw/zinc/93/70/33/388937033.db2.gz DLPRYFYHDNZFCR-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@@H](O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565314027 388937035 /nfs/dbraw/zinc/93/70/35/388937035.db2.gz DLPRYFYHDNZFCR-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CSCCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000565695792 388962811 /nfs/dbraw/zinc/96/28/11/388962811.db2.gz ZZDDYCOAJGZJMO-UHFFFAOYSA-N 1 2 242.348 0.339 20 0 BCADLO CSCCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000565695792 388962815 /nfs/dbraw/zinc/96/28/15/388962815.db2.gz ZZDDYCOAJGZJMO-UHFFFAOYSA-N 1 2 242.348 0.339 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000565326014 388938644 /nfs/dbraw/zinc/93/86/44/388938644.db2.gz PKLOHIJHAFHGTP-DTWKUNHWSA-N 1 2 225.267 0.969 20 0 BCADLO C[N@H+](Cc1cn(CC2CC2)nn1)C1CC(O)C1 ZINC000565462252 388945896 /nfs/dbraw/zinc/94/58/96/388945896.db2.gz CHBICUBSNYWKFZ-UHFFFAOYSA-N 1 2 236.319 0.643 20 0 BCADLO C[N@@H+](Cc1cn(CC2CC2)nn1)C1CC(O)C1 ZINC000565462252 388945899 /nfs/dbraw/zinc/94/58/99/388945899.db2.gz CHBICUBSNYWKFZ-UHFFFAOYSA-N 1 2 236.319 0.643 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCSC2)C1 ZINC000565608953 388957156 /nfs/dbraw/zinc/95/71/56/388957156.db2.gz RGWRHMWBFFTXPX-VIFPVBQESA-N 1 2 228.361 0.950 20 0 BCADLO CCOCCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000566098350 388987497 /nfs/dbraw/zinc/98/74/97/388987497.db2.gz GEDNDNTXBYBQPN-VIFPVBQESA-N 1 2 243.332 0.686 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000264154259 388991986 /nfs/dbraw/zinc/99/19/86/388991986.db2.gz XAQIENPJUZQOSX-JTQLQIEISA-N 1 2 238.291 0.306 20 0 BCADLO COC(=O)[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000264154259 388991989 /nfs/dbraw/zinc/99/19/89/388991989.db2.gz XAQIENPJUZQOSX-JTQLQIEISA-N 1 2 238.291 0.306 20 0 BCADLO OCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302800291 132266702 /nfs/dbraw/zinc/26/67/02/132266702.db2.gz SQNKUNFKQXFCMG-UHFFFAOYSA-N 1 2 240.332 0.434 20 0 BCADLO Cc1nnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)s1 ZINC000271393808 389019620 /nfs/dbraw/zinc/01/96/20/389019620.db2.gz GOYLTAXHFWDHKD-QMMMGPOBSA-N 1 2 242.348 0.836 20 0 BCADLO COC(=O)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493871461 533231755 /nfs/dbraw/zinc/23/17/55/533231755.db2.gz PSTFOPXKPQYRFG-IHWYPQMZSA-N 1 2 235.243 0.245 20 0 BCADLO COC(=O)[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492772525 533306012 /nfs/dbraw/zinc/30/60/12/533306012.db2.gz SVRYPPYBIGPUKO-DOGVGXBMSA-N 1 2 249.270 0.491 20 0 BCADLO COC(=O)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492814537 533404849 /nfs/dbraw/zinc/40/48/49/533404849.db2.gz UMIHMGXJICVFLM-XADBCAIWSA-N 1 2 249.270 0.444 20 0 BCADLO CO[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@@H]1OC ZINC000487046807 533484632 /nfs/dbraw/zinc/48/46/32/533484632.db2.gz NLBWEVOVHCJZCP-AOOOYVTPSA-N 1 2 223.276 0.635 20 0 BCADLO C[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890392 533615819 /nfs/dbraw/zinc/61/58/19/533615819.db2.gz BVRCNHAUZZDPFM-YAJNLLPGSA-N 1 2 209.249 0.310 20 0 BCADLO Cc1cc(N2CCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000265318891 132182421 /nfs/dbraw/zinc/18/24/21/132182421.db2.gz DQEUPYZNOAKLAA-UHFFFAOYSA-N 1 2 232.287 0.599 20 0 BCADLO Cc1nc(N2CCC[C@@H](CNC(N)=O)C2)cc[nH+]1 ZINC000266376968 132185936 /nfs/dbraw/zinc/18/59/36/132185936.db2.gz MKYZMPKJMGWOTC-JTQLQIEISA-N 1 2 249.318 0.670 20 0 BCADLO OC[C@@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267928638 132191084 /nfs/dbraw/zinc/19/10/84/132191084.db2.gz LBAKYAJVCPXTQO-JTQLQIEISA-N 1 2 245.282 0.827 20 0 BCADLO C[C@@H]1COCCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000278086014 132207790 /nfs/dbraw/zinc/20/77/90/132207790.db2.gz VBWGOVNVWJZTJZ-SNVBAGLBSA-N 1 2 248.330 0.690 20 0 BCADLO C[C@@H]1COCCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000278086014 132207792 /nfs/dbraw/zinc/20/77/92/132207792.db2.gz VBWGOVNVWJZTJZ-SNVBAGLBSA-N 1 2 248.330 0.690 20 0 BCADLO COc1ccnc(N2CCn3c[nH+]cc3C2)n1 ZINC000290563532 132217054 /nfs/dbraw/zinc/21/70/54/132217054.db2.gz APYMSDDDVMXRQM-UHFFFAOYSA-N 1 2 231.259 0.702 20 0 BCADLO Cc1cc(N2CC(=O)N[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000295718953 132220887 /nfs/dbraw/zinc/22/08/87/132220887.db2.gz KVRANZOBHUOVDV-SECBINFHSA-N 1 2 246.314 0.987 20 0 BCADLO CCc1nc(N2CC(=O)N[C@@H](C)C2)cc(C)[nH+]1 ZINC000295765437 132221034 /nfs/dbraw/zinc/22/10/34/132221034.db2.gz PGUXJWLGMRGUNX-VIFPVBQESA-N 1 2 234.303 0.672 20 0 BCADLO CCc1nc(N2CCO[C@H](CO)C2)cc(C)[nH+]1 ZINC000283765260 132238696 /nfs/dbraw/zinc/23/86/96/132238696.db2.gz NQWDKWJMIVMYMP-JTQLQIEISA-N 1 2 237.303 0.545 20 0 BCADLO Nc1nc(Cl)cc(N2CCCCN2)[nH+]1 ZINC000289216490 132242180 /nfs/dbraw/zinc/24/21/80/132242180.db2.gz WNCJRFKMHFCUKG-UHFFFAOYSA-N 1 2 213.672 0.817 20 0 BCADLO Cc1cc(N2CCn3ncnc3C2)nc[nH+]1 ZINC000329978165 132244548 /nfs/dbraw/zinc/24/45/48/132244548.db2.gz HAXQOICZPVJWNL-UHFFFAOYSA-N 1 2 216.248 0.397 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC(=O)N1 ZINC000334027453 132246289 /nfs/dbraw/zinc/24/62/89/132246289.db2.gz IFXIICLGGVUKKK-MRVPVSSYSA-N 1 2 247.302 0.376 20 0 BCADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC(=O)N1 ZINC000334027453 132246292 /nfs/dbraw/zinc/24/62/92/132246292.db2.gz IFXIICLGGVUKKK-MRVPVSSYSA-N 1 2 247.302 0.376 20 0 BCADLO Cc1cc(N2CCO[C@]3(CCOC3)C2)nc[nH+]1 ZINC000302224477 132261906 /nfs/dbraw/zinc/26/19/06/132261906.db2.gz QIMBTROTRVQOIJ-GFCCVEGCSA-N 1 2 235.287 0.781 20 0 BCADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](CO)O1 ZINC000302786774 132266216 /nfs/dbraw/zinc/26/62/16/132266216.db2.gz WIIGURSNUGRZRQ-GXSJLCMTSA-N 1 2 249.314 0.940 20 0 BCADLO OCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302800291 132266700 /nfs/dbraw/zinc/26/67/00/132266700.db2.gz SQNKUNFKQXFCMG-UHFFFAOYSA-N 1 2 240.332 0.434 20 0 BCADLO COCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360612368 132278858 /nfs/dbraw/zinc/27/88/58/132278858.db2.gz PTNMZPYMTUCDDW-UHFFFAOYSA-N 1 2 234.299 0.982 20 0 BCADLO COCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360612368 132278862 /nfs/dbraw/zinc/27/88/62/132278862.db2.gz PTNMZPYMTUCDDW-UHFFFAOYSA-N 1 2 234.299 0.982 20 0 BCADLO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)nc[nH+]1 ZINC000221206850 132346936 /nfs/dbraw/zinc/34/69/36/132346936.db2.gz FHGGQDLJAIAXJQ-WPRPVWTQSA-N 1 2 207.277 0.992 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335490141 133864972 /nfs/dbraw/zinc/86/49/72/133864972.db2.gz BLJUBBBMFFJIAS-VHSXEESVSA-N 1 2 237.303 0.285 20 0 BCADLO Cn1c(N2CCNC(=O)C2)[nH+]c2cccc(F)c21 ZINC000335881785 133949236 /nfs/dbraw/zinc/94/92/36/133949236.db2.gz ZDSMSSMOGIOKFB-UHFFFAOYSA-N 1 2 248.261 0.649 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[S@@]1=O ZINC000351920307 134006185 /nfs/dbraw/zinc/00/61/85/134006185.db2.gz ZKIZTHNHJVSVNE-HWPZZCPQSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[S@@]1=O ZINC000351920307 134006186 /nfs/dbraw/zinc/00/61/86/134006186.db2.gz ZKIZTHNHJVSVNE-HWPZZCPQSA-N 1 2 244.360 0.062 20 0 BCADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[S@]1=O ZINC000351920304 134006199 /nfs/dbraw/zinc/00/61/99/134006199.db2.gz ZKIZTHNHJVSVNE-QLJPJBMISA-N 1 2 244.360 0.062 20 0 BCADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[S@]1=O ZINC000351920304 134006200 /nfs/dbraw/zinc/00/62/00/134006200.db2.gz ZKIZTHNHJVSVNE-QLJPJBMISA-N 1 2 244.360 0.062 20 0 BCADLO C[C@@H]1C[N@H+](CCc2ccnn2C)CC[S@]1=O ZINC000335925557 134008765 /nfs/dbraw/zinc/00/87/65/134008765.db2.gz DHPHMOYIODXQEO-QLJPJBMISA-N 1 2 241.360 0.415 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[S@]1=O ZINC000335925557 134008766 /nfs/dbraw/zinc/00/87/66/134008766.db2.gz DHPHMOYIODXQEO-QLJPJBMISA-N 1 2 241.360 0.415 20 0 BCADLO CNC(=O)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000335933224 134011930 /nfs/dbraw/zinc/01/19/30/134011930.db2.gz BOHWUACLEMKUFS-UHFFFAOYSA-N 1 2 246.270 0.005 20 0 BCADLO CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335943871 134019053 /nfs/dbraw/zinc/01/90/53/134019053.db2.gz WRYWLFQZCIZNEB-QWRGUYRKSA-N 1 2 241.335 0.511 20 0 BCADLO Cc1cccnc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000335946143 134020155 /nfs/dbraw/zinc/02/01/55/134020155.db2.gz HVHDCWZSQBWRQZ-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO Cc1cccnc1C[N@H+](C)[C@H]1CCNC1=O ZINC000335946143 134020156 /nfs/dbraw/zinc/02/01/56/134020156.db2.gz HVHDCWZSQBWRQZ-NSHDSACASA-N 1 2 219.288 0.710 20 0 BCADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946724 134020662 /nfs/dbraw/zinc/02/06/62/134020662.db2.gz HRGGKEGDECHCDG-IUCAKERBSA-N 1 2 222.292 0.574 20 0 BCADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnc[nH]1 ZINC000335946724 134020663 /nfs/dbraw/zinc/02/06/63/134020663.db2.gz HRGGKEGDECHCDG-IUCAKERBSA-N 1 2 222.292 0.574 20 0 BCADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CNC(=O)C1 ZINC000335963000 134027207 /nfs/dbraw/zinc/02/72/07/134027207.db2.gz IXAKYQXPJOYTID-VIFPVBQESA-N 1 2 248.286 0.708 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000351996565 134032929 /nfs/dbraw/zinc/03/29/29/134032929.db2.gz VFJJEANWXNXFQV-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000351996565 134032930 /nfs/dbraw/zinc/03/29/30/134032930.db2.gz VFJJEANWXNXFQV-CYBMUJFWSA-N 1 2 249.314 0.776 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)[C@@H](C)C[N@@H+]1C ZINC000352016718 134036438 /nfs/dbraw/zinc/03/64/38/134036438.db2.gz ZFXQENPMTDYVSW-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO C[C@@H]1CN(C(=O)c2cnns2)[C@@H](C)C[N@H+]1C ZINC000352016718 134036439 /nfs/dbraw/zinc/03/64/39/134036439.db2.gz ZFXQENPMTDYVSW-SFYZADRCSA-N 1 2 240.332 0.703 20 0 BCADLO O=C(N1CC(F)C1)C1([NH+]2CCOCC2)CCC1 ZINC000335992807 134041072 /nfs/dbraw/zinc/04/10/72/134041072.db2.gz BEXVXANAKCCVSF-UHFFFAOYSA-N 1 2 242.294 0.422 20 0 BCADLO Cc1cc(NC(=O)c2cncn2C)cc[nH+]1 ZINC000335999841 134044246 /nfs/dbraw/zinc/04/42/46/134044246.db2.gz MHSKYZINMSVZDS-UHFFFAOYSA-N 1 2 216.244 0.798 20 0 BCADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336039840 134061247 /nfs/dbraw/zinc/06/12/47/134061247.db2.gz QNBQVEAVOJAEHY-ZYHUDNBSSA-N 1 2 238.331 0.766 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000336043753 134062841 /nfs/dbraw/zinc/06/28/41/134062841.db2.gz KZVNUABECNAUBV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000336043753 134062842 /nfs/dbraw/zinc/06/28/42/134062842.db2.gz KZVNUABECNAUBV-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CCOC(=O)COCC[N@@H+]1CCOCC12CC2 ZINC000352099116 134067393 /nfs/dbraw/zinc/06/73/93/134067393.db2.gz DUDGJUGQKUNOBC-UHFFFAOYSA-N 1 2 243.303 0.431 20 0 BCADLO CCOC(=O)COCC[N@H+]1CCOCC12CC2 ZINC000352099116 134067394 /nfs/dbraw/zinc/06/73/94/134067394.db2.gz DUDGJUGQKUNOBC-UHFFFAOYSA-N 1 2 243.303 0.431 20 0 BCADLO CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000336060344 134068338 /nfs/dbraw/zinc/06/83/38/134068338.db2.gz BJWVEMKSKIXMMT-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000336060344 134068339 /nfs/dbraw/zinc/06/83/39/134068339.db2.gz BJWVEMKSKIXMMT-SNVBAGLBSA-N 1 2 212.293 0.233 20 0 BCADLO CC[N@@H+](Cc1noc(CCOC)n1)C[C@H](C)O ZINC000352114952 134070554 /nfs/dbraw/zinc/07/05/54/134070554.db2.gz FYEPZNCGODOGDR-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO CC[N@H+](Cc1noc(CCOC)n1)C[C@H](C)O ZINC000352114952 134070555 /nfs/dbraw/zinc/07/05/55/134070555.db2.gz FYEPZNCGODOGDR-VIFPVBQESA-N 1 2 243.307 0.461 20 0 BCADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC000336089279 134078027 /nfs/dbraw/zinc/07/80/27/134078027.db2.gz WAQFLGXPALREQW-SECBINFHSA-N 1 2 247.298 0.894 20 0 BCADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC000336089279 134078028 /nfs/dbraw/zinc/07/80/28/134078028.db2.gz WAQFLGXPALREQW-SECBINFHSA-N 1 2 247.298 0.894 20 0 BCADLO Cc1cnc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000336102888 134083930 /nfs/dbraw/zinc/08/39/30/134083930.db2.gz ATDDVVJJSUABSG-UHFFFAOYSA-N 1 2 206.205 0.636 20 0 BCADLO CCc1nnc(C[N@H+](C)C2CC(OC)C2)[nH]1 ZINC000352203185 134102874 /nfs/dbraw/zinc/10/28/74/134102874.db2.gz PVPADPQBLTWRDW-UHFFFAOYSA-N 1 2 224.308 0.976 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2CC(OC)C2)[nH]1 ZINC000352203185 134102875 /nfs/dbraw/zinc/10/28/75/134102875.db2.gz PVPADPQBLTWRDW-UHFFFAOYSA-N 1 2 224.308 0.976 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CCCOC1 ZINC000352230704 134110971 /nfs/dbraw/zinc/11/09/71/134110971.db2.gz MAPACFJLIYRFGU-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CCCOC1 ZINC000352230704 134110972 /nfs/dbraw/zinc/11/09/72/134110972.db2.gz MAPACFJLIYRFGU-SNVBAGLBSA-N 1 2 242.298 0.858 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[S@@]1=O ZINC000352294732 134139282 /nfs/dbraw/zinc/13/92/82/134139282.db2.gz RIHCPLRHUXAQQA-LYGAQUJYSA-N 1 2 244.360 0.060 20 0 BCADLO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[S@@]1=O ZINC000352294732 134139283 /nfs/dbraw/zinc/13/92/83/134139283.db2.gz RIHCPLRHUXAQQA-LYGAQUJYSA-N 1 2 244.360 0.060 20 0 BCADLO CCn1cc[nH+]c1CN1C[C@@H](CO)OC[C@@H]1C ZINC000168622789 134232499 /nfs/dbraw/zinc/23/24/99/134232499.db2.gz KQOFGESDFJUZGR-QWRGUYRKSA-N 1 2 239.319 0.485 20 0 BCADLO COCCc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000171634887 134256875 /nfs/dbraw/zinc/25/68/75/134256875.db2.gz GTBSCSLALLWSQD-SECBINFHSA-N 1 2 241.291 0.215 20 0 BCADLO COCCc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000171634887 134256876 /nfs/dbraw/zinc/25/68/76/134256876.db2.gz GTBSCSLALLWSQD-SECBINFHSA-N 1 2 241.291 0.215 20 0 BCADLO COC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177574469 134300138 /nfs/dbraw/zinc/30/01/38/134300138.db2.gz BXXLKMCODYHYLO-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO COC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177574469 134300139 /nfs/dbraw/zinc/30/01/39/134300139.db2.gz BXXLKMCODYHYLO-UWVGGRQHSA-N 1 2 233.308 0.266 20 0 BCADLO CC[C@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000177841238 134303729 /nfs/dbraw/zinc/30/37/29/134303729.db2.gz DYPAFQVMBBYOAU-VIFPVBQESA-N 1 2 243.351 0.487 20 0 BCADLO CC[C@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000177841238 134303730 /nfs/dbraw/zinc/30/37/30/134303730.db2.gz DYPAFQVMBBYOAU-VIFPVBQESA-N 1 2 243.351 0.487 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000178191996 134304529 /nfs/dbraw/zinc/30/45/29/134304529.db2.gz KLKGRLYTAPNDGA-MWLCHTKSSA-N 1 2 234.303 0.478 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000178191996 134304530 /nfs/dbraw/zinc/30/45/30/134304530.db2.gz KLKGRLYTAPNDGA-MWLCHTKSSA-N 1 2 234.303 0.478 20 0 BCADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000178192009 134304723 /nfs/dbraw/zinc/30/47/23/134304723.db2.gz KLKGRLYTAPNDGA-GXSJLCMTSA-N 1 2 234.303 0.478 20 0 BCADLO O=C1NCC[C@H]1[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000178192009 134304724 /nfs/dbraw/zinc/30/47/24/134304724.db2.gz KLKGRLYTAPNDGA-GXSJLCMTSA-N 1 2 234.303 0.478 20 0 BCADLO CON(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178466968 134307098 /nfs/dbraw/zinc/30/70/98/134307098.db2.gz BMWVLKCFCXKFSL-MRVPVSSYSA-N 1 2 209.249 0.465 20 0 BCADLO O=C(C[C@H]1C=CCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178726326 134310460 /nfs/dbraw/zinc/31/04/60/134310460.db2.gz FPCDNJFDGHLJBM-QWHCGFSZSA-N 1 2 249.358 0.459 20 0 BCADLO CO[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965830 134313604 /nfs/dbraw/zinc/31/36/04/134313604.db2.gz IMFMLYGSDOMABS-WDEREUQCSA-N 1 2 249.314 0.811 20 0 BCADLO C[C@@H](CO)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181517301 134337362 /nfs/dbraw/zinc/33/73/62/134337362.db2.gz BKVNRBBWODSHNW-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO C[C@@H](CO)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181517301 134337363 /nfs/dbraw/zinc/33/73/63/134337363.db2.gz BKVNRBBWODSHNW-VIFPVBQESA-N 1 2 238.335 0.895 20 0 BCADLO Nc1ccnc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000182926185 134349856 /nfs/dbraw/zinc/34/98/56/134349856.db2.gz IUMGROYCQGDCSR-LLVKDONJSA-N 1 2 244.298 0.882 20 0 BCADLO COC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000225913200 134360056 /nfs/dbraw/zinc/36/00/56/134360056.db2.gz VHXJEDCJFBVNHI-QMMMGPOBSA-N 1 2 201.266 0.252 20 0 BCADLO O[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000226319688 134360234 /nfs/dbraw/zinc/36/02/34/134360234.db2.gz VMFQBWPOKQEHSR-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO O[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000226319688 134360235 /nfs/dbraw/zinc/36/02/35/134360235.db2.gz VMFQBWPOKQEHSR-SNVBAGLBSA-N 1 2 236.319 0.571 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000184580165 134363664 /nfs/dbraw/zinc/36/36/64/134363664.db2.gz ISENYPWOSKISPD-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000184580165 134363665 /nfs/dbraw/zinc/36/36/65/134363665.db2.gz ISENYPWOSKISPD-SECBINFHSA-N 1 2 224.308 0.978 20 0 BCADLO Cc1nc(C)c(C(=O)N2CC[NH+](C)CC2)nc1C ZINC000184593799 134363972 /nfs/dbraw/zinc/36/39/72/134363972.db2.gz DOLAXPOUANLVEY-UHFFFAOYSA-N 1 2 248.330 0.789 20 0 BCADLO Cc1nc(NC[C@H](O)C(F)F)cc[nH+]1 ZINC000226572691 134366717 /nfs/dbraw/zinc/36/67/17/134366717.db2.gz PTYXFWMRBXGKIA-LURJTMIESA-N 1 2 203.192 0.823 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)C(F)F ZINC000226576839 134366745 /nfs/dbraw/zinc/36/67/45/134366745.db2.gz LTGJZXSGWSMPFL-ZETCQYMHSA-N 1 2 205.208 0.434 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000408078396 134388376 /nfs/dbraw/zinc/38/83/76/134388376.db2.gz BYCFJSMVILRXLS-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000408078396 134388378 /nfs/dbraw/zinc/38/83/78/134388378.db2.gz BYCFJSMVILRXLS-JTQLQIEISA-N 1 2 241.335 0.065 20 0 BCADLO CCn1cc[nH+]c1CN(C)CC(=O)OC ZINC000054743876 134389008 /nfs/dbraw/zinc/38/90/08/134389008.db2.gz AJEYHYYUBMEOHA-UHFFFAOYSA-N 1 2 211.265 0.508 20 0 BCADLO O=C([C@@H]1CNC(=O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408091215 134391195 /nfs/dbraw/zinc/39/11/95/134391195.db2.gz UJOJALFIHSFNMW-IUCAKERBSA-N 1 2 248.286 0.209 20 0 BCADLO COC(=O)[C@@H]([NH2+]CC(C)(C)OC)C1CC1 ZINC000227770624 134393665 /nfs/dbraw/zinc/39/36/65/134393665.db2.gz YXSJPVGEPQNMLB-VIFPVBQESA-N 1 2 215.293 0.953 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@H](C)Cn1cccn1)C1CC1 ZINC000227770019 134393677 /nfs/dbraw/zinc/39/36/77/134393677.db2.gz IITUMGFEZZTXJU-KOLCDFICSA-N 1 2 237.303 0.813 20 0 BCADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cn1cccn1)C1CC1 ZINC000227770008 134393773 /nfs/dbraw/zinc/39/37/73/134393773.db2.gz IITUMGFEZZTXJU-ONGXEEELSA-N 1 2 237.303 0.813 20 0 BCADLO COC[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000227771717 134394142 /nfs/dbraw/zinc/39/41/42/134394142.db2.gz YXYNVGCORHEKIY-VHSXEESVSA-N 1 2 231.292 0.189 20 0 BCADLO Cn1nccc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185952889 134397070 /nfs/dbraw/zinc/39/70/70/134397070.db2.gz DKOYXQVVIRKPPN-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cn1nccc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185952889 134397071 /nfs/dbraw/zinc/39/70/71/134397071.db2.gz DKOYXQVVIRKPPN-GFCCVEGCSA-N 1 2 236.319 0.650 20 0 BCADLO Cc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC000408121785 134397613 /nfs/dbraw/zinc/39/76/13/134397613.db2.gz FXMUTOMZSBEFCT-UHFFFAOYSA-N 1 2 220.276 0.487 20 0 BCADLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)CO)CC1 ZINC000152348578 134499987 /nfs/dbraw/zinc/49/99/87/134499987.db2.gz KYQJMZLVYGQGOM-NSHDSACASA-N 1 2 249.314 0.279 20 0 BCADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nccn1C ZINC000071138989 134929012 /nfs/dbraw/zinc/92/90/12/134929012.db2.gz XUWBZFHSZZIFIB-NXEZZACHSA-N 1 2 238.335 0.813 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070634365 135000039 /nfs/dbraw/zinc/00/00/39/135000039.db2.gz PUNUKDXGICRMCI-RQJHMYQMSA-N 1 2 213.306 0.928 20 0 BCADLO CC(C)n1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248390277 135001239 /nfs/dbraw/zinc/00/12/39/135001239.db2.gz HVQYGTSYBGCVAY-NWDGAFQWSA-N 1 2 239.319 0.392 20 0 BCADLO CC(C)n1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248390277 135001240 /nfs/dbraw/zinc/00/12/40/135001240.db2.gz HVQYGTSYBGCVAY-NWDGAFQWSA-N 1 2 239.319 0.392 20 0 BCADLO Cc1n[nH]cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650841 135002663 /nfs/dbraw/zinc/00/26/63/135002663.db2.gz JOQAWAOZGIUBDF-UHFFFAOYSA-N 1 2 219.248 0.713 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)[C@H](c2ccccc2)CO1 ZINC000076148546 135013116 /nfs/dbraw/zinc/01/31/16/135013116.db2.gz CZXLFSBSZJMLQU-JQWIXIFHSA-N 1 2 234.299 0.934 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)[C@H](c2ccccc2)CO1 ZINC000076148546 135013119 /nfs/dbraw/zinc/01/31/19/135013119.db2.gz CZXLFSBSZJMLQU-JQWIXIFHSA-N 1 2 234.299 0.934 20 0 BCADLO Nc1cc(Cn2ccsc2=O)cc[nH+]1 ZINC000070914979 135015664 /nfs/dbraw/zinc/01/56/64/135015664.db2.gz LOMYNULNYKUUJA-UHFFFAOYSA-N 1 2 207.258 0.935 20 0 BCADLO C[C@@H](O)C[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000248825185 135022332 /nfs/dbraw/zinc/02/23/32/135022332.db2.gz GRISYRYEZAIEAE-HTQZYQBOSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H](O)C[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000248825185 135022334 /nfs/dbraw/zinc/02/23/34/135022334.db2.gz GRISYRYEZAIEAE-HTQZYQBOSA-N 1 2 225.296 0.382 20 0 BCADLO C[C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)[C@H]2C)O1 ZINC000248970832 135028293 /nfs/dbraw/zinc/02/82/93/135028293.db2.gz SCHFLEKBGIOQLS-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1CC[C@H](C[N@H+]2CCNC(=O)[C@H]2C)O1 ZINC000248970832 135028297 /nfs/dbraw/zinc/02/82/97/135028297.db2.gz SCHFLEKBGIOQLS-OPRDCNLKSA-N 1 2 212.293 0.374 20 0 BCADLO CCCC[C@H](COC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249031576 135030309 /nfs/dbraw/zinc/03/03/09/135030309.db2.gz FJOIGJRWZGMTAY-HBNTYKKESA-N 1 2 247.335 0.704 20 0 BCADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000249983512 135047002 /nfs/dbraw/zinc/04/70/02/135047002.db2.gz BFVLVTILUQABIW-UWVGGRQHSA-N 1 2 226.320 0.716 20 0 BCADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000249983512 135047005 /nfs/dbraw/zinc/04/70/05/135047005.db2.gz BFVLVTILUQABIW-UWVGGRQHSA-N 1 2 226.320 0.716 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250466057 135055012 /nfs/dbraw/zinc/05/50/12/135055012.db2.gz DVFPUERBRIUESX-FBIMIBRVSA-N 1 2 227.304 0.953 20 0 BCADLO CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000252442689 135089930 /nfs/dbraw/zinc/08/99/30/135089930.db2.gz AZXFXCRGHQFTRH-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000252442689 135089931 /nfs/dbraw/zinc/08/99/31/135089931.db2.gz AZXFXCRGHQFTRH-GHMZBOCLSA-N 1 2 249.376 0.920 20 0 BCADLO Cn1c2ccc(C[N@H+](C)CC(N)=O)cc2oc1=O ZINC000258957306 135136163 /nfs/dbraw/zinc/13/61/63/135136163.db2.gz ALBUYKFMXRJJJQ-UHFFFAOYSA-N 1 2 249.270 0.049 20 0 BCADLO Cn1c2ccc(C[N@@H+](C)CC(N)=O)cc2oc1=O ZINC000258957306 135136164 /nfs/dbraw/zinc/13/61/64/135136164.db2.gz ALBUYKFMXRJJJQ-UHFFFAOYSA-N 1 2 249.270 0.049 20 0 BCADLO COC(=O)C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000259787144 135145014 /nfs/dbraw/zinc/14/50/14/135145014.db2.gz NEMKABQOZPBGDR-MRVPVSSYSA-N 1 2 203.282 0.498 20 0 BCADLO COC(=O)C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000259787144 135145015 /nfs/dbraw/zinc/14/50/15/135145015.db2.gz NEMKABQOZPBGDR-MRVPVSSYSA-N 1 2 203.282 0.498 20 0 BCADLO COC(=O)c1n[nH]c2c1C[N@@H+](C(C)C)CC2 ZINC000260108332 135146621 /nfs/dbraw/zinc/14/66/21/135146621.db2.gz CINZDPPNDDGVKK-UHFFFAOYSA-N 1 2 223.276 0.963 20 0 BCADLO COC(=O)c1n[nH]c2c1C[N@H+](C(C)C)CC2 ZINC000260108332 135146622 /nfs/dbraw/zinc/14/66/22/135146622.db2.gz CINZDPPNDDGVKK-UHFFFAOYSA-N 1 2 223.276 0.963 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc[nH]c1 ZINC000260147703 135147337 /nfs/dbraw/zinc/14/73/37/135147337.db2.gz SAQDBGHGHLGTRJ-LLVKDONJSA-N 1 2 238.287 0.779 20 0 BCADLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc[nH]c1 ZINC000260147703 135147339 /nfs/dbraw/zinc/14/73/39/135147339.db2.gz SAQDBGHGHLGTRJ-LLVKDONJSA-N 1 2 238.287 0.779 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)CC(C)(C)O ZINC000078777749 135151057 /nfs/dbraw/zinc/15/10/57/135151057.db2.gz NHWJKHDBLHPCCV-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)CC(C)(C)O ZINC000078777749 135151059 /nfs/dbraw/zinc/15/10/59/135151059.db2.gz NHWJKHDBLHPCCV-UHFFFAOYSA-N 1 2 225.296 0.211 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CCn2cnnc2C1 ZINC000087538833 135152247 /nfs/dbraw/zinc/15/22/47/135152247.db2.gz IEHAOEJOEZUZLV-VIFPVBQESA-N 1 2 210.281 0.111 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CCn2cnnc2C1 ZINC000087538833 135152249 /nfs/dbraw/zinc/15/22/49/135152249.db2.gz IEHAOEJOEZUZLV-VIFPVBQESA-N 1 2 210.281 0.111 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261545250 135186927 /nfs/dbraw/zinc/18/69/27/135186927.db2.gz JSMSQWDAJRIJGH-SVRRBLITSA-N 1 2 218.247 0.898 20 0 BCADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000261545248 135187127 /nfs/dbraw/zinc/18/71/27/135187127.db2.gz JSMSQWDAJRIJGH-HTRCEHHLSA-N 1 2 218.247 0.898 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000164091948 135213845 /nfs/dbraw/zinc/21/38/45/135213845.db2.gz FETLTQAIXMSVIP-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO CO[C@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000164091948 135213847 /nfs/dbraw/zinc/21/38/47/135213847.db2.gz FETLTQAIXMSVIP-MRVPVSSYSA-N 1 2 211.265 0.841 20 0 BCADLO Cc1cc(N[C@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164211883 135216344 /nfs/dbraw/zinc/21/63/44/135216344.db2.gz CTQPFWOJDWGABF-XLKFXECMSA-N 1 2 213.306 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000261856709 135257708 /nfs/dbraw/zinc/25/77/08/135257708.db2.gz ACGITWPFFYKMPW-YIZRAAEISA-N 1 2 248.273 0.619 20 0 BCADLO Cn1nncc1C[NH2+]Cc1noc2c1CCCC2 ZINC000342304970 135257918 /nfs/dbraw/zinc/25/79/18/135257918.db2.gz GBOSPJJAXWAYLL-UHFFFAOYSA-N 1 2 247.302 0.972 20 0 BCADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cn1 ZINC000342639672 135299142 /nfs/dbraw/zinc/29/91/42/135299142.db2.gz OHFRYNAPHLZLQY-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cn1 ZINC000342639672 135299143 /nfs/dbraw/zinc/29/91/43/135299143.db2.gz OHFRYNAPHLZLQY-MGPLVRAMSA-N 1 2 241.360 0.984 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)nn1C ZINC000342651582 135307243 /nfs/dbraw/zinc/30/72/43/135307243.db2.gz YJFIBFUKSFYFJJ-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)nn1C ZINC000342651582 135307244 /nfs/dbraw/zinc/30/72/44/135307244.db2.gz YJFIBFUKSFYFJJ-MGPLVRAMSA-N 1 2 243.376 0.927 20 0 BCADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(N)=O)C[C@H](C)O2 ZINC000366785564 135312178 /nfs/dbraw/zinc/31/21/78/135312178.db2.gz HHIDLQSCVGBFSV-SCVCMEIPSA-N 1 2 242.319 0.130 20 0 BCADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(N)=O)C[C@H](C)O2 ZINC000366785564 135312180 /nfs/dbraw/zinc/31/21/80/135312180.db2.gz HHIDLQSCVGBFSV-SCVCMEIPSA-N 1 2 242.319 0.130 20 0 BCADLO Cc1c[nH+]c(CN2CCn3cnnc3[C@@H]2C)n1C ZINC000342711269 135312964 /nfs/dbraw/zinc/31/29/64/135312964.db2.gz WCOZWWCKTIYATB-JTQLQIEISA-N 1 2 246.318 0.897 20 0 BCADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@H](CO)C2)n1C ZINC000342798653 135320366 /nfs/dbraw/zinc/32/03/66/135320366.db2.gz WWAKMKLIKUCVLH-QWRGUYRKSA-N 1 2 239.319 0.310 20 0 BCADLO Cc1c[nH+]c(CN2CCC(CO)CC2)n1C ZINC000342800075 135321471 /nfs/dbraw/zinc/32/14/71/135321471.db2.gz QJLQVPUTHUFCRW-UHFFFAOYSA-N 1 2 223.320 0.933 20 0 BCADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000342762104 135325896 /nfs/dbraw/zinc/32/58/96/135325896.db2.gz VVXJWODCBNBDAL-QWRGUYRKSA-N 1 2 249.314 0.693 20 0 BCADLO Cc1c[nH+]c(CN2CCCNC(=O)[C@@H]2C)n1C ZINC000342767680 135326145 /nfs/dbraw/zinc/32/61/45/135326145.db2.gz FGWVZSCCTMCGLA-JTQLQIEISA-N 1 2 236.319 0.439 20 0 BCADLO Cc1c[nH+]c(CN2C[C@@H](F)C[C@H]2CO)n1C ZINC000342770672 135326245 /nfs/dbraw/zinc/32/62/45/135326245.db2.gz YJRCXWVXLKAKJI-UWVGGRQHSA-N 1 2 227.283 0.633 20 0 BCADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C(F)F ZINC000342911021 135334462 /nfs/dbraw/zinc/33/44/62/135334462.db2.gz JSUSYAFRSSWLPC-HTQZYQBOSA-N 1 2 244.245 0.836 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263203984 135339279 /nfs/dbraw/zinc/33/92/79/135339279.db2.gz JMFHRSLISYCQEL-HRDYMLBCSA-N 1 2 248.273 0.667 20 0 BCADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(CCO)C1 ZINC000343022986 135346308 /nfs/dbraw/zinc/34/63/08/135346308.db2.gz AKHCCZAJFXGNOX-UHFFFAOYSA-N 1 2 245.282 0.789 20 0 BCADLO O=C(N1CC[NH+](C2CC2)CC1)C1(O)CCCC1 ZINC000334304049 135347288 /nfs/dbraw/zinc/34/72/88/135347288.db2.gz FVGPKZAAEHOTLQ-UHFFFAOYSA-N 1 2 238.331 0.598 20 0 BCADLO Cc1nocc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334329097 135354708 /nfs/dbraw/zinc/35/47/08/135354708.db2.gz NOHGSWNWFPKRRM-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO Cc1nocc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334329097 135354710 /nfs/dbraw/zinc/35/47/10/135354710.db2.gz NOHGSWNWFPKRRM-SNVBAGLBSA-N 1 2 214.240 0.889 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334333590 135361480 /nfs/dbraw/zinc/36/14/80/135361480.db2.gz UUZXDSOBMSZOOR-GXSJLCMTSA-N 1 2 224.304 0.470 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CCO1 ZINC000334333590 135361481 /nfs/dbraw/zinc/36/14/81/135361481.db2.gz UUZXDSOBMSZOOR-GXSJLCMTSA-N 1 2 224.304 0.470 20 0 BCADLO CSCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334346315 135363411 /nfs/dbraw/zinc/36/34/11/135363411.db2.gz VWBSSIQDGXUQQY-VHSXEESVSA-N 1 2 244.360 0.281 20 0 BCADLO CSCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334346315 135363413 /nfs/dbraw/zinc/36/34/13/135363413.db2.gz VWBSSIQDGXUQQY-VHSXEESVSA-N 1 2 244.360 0.281 20 0 BCADLO CSCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334346316 135363864 /nfs/dbraw/zinc/36/38/64/135363864.db2.gz VWBSSIQDGXUQQY-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO CSCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334346316 135363865 /nfs/dbraw/zinc/36/38/65/135363865.db2.gz VWBSSIQDGXUQQY-ZJUUUORDSA-N 1 2 244.360 0.281 20 0 BCADLO Cc1[nH]c(C(=O)NCc2cc[nH]n2)c[nH+]1 ZINC000334353330 135369404 /nfs/dbraw/zinc/36/94/04/135369404.db2.gz IDFYITOVJBHTNJ-UHFFFAOYSA-N 1 2 205.221 0.371 20 0 BCADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCC1 ZINC000334385204 135382072 /nfs/dbraw/zinc/38/20/72/135382072.db2.gz MTVGINMZQPUTSK-GFCCVEGCSA-N 1 2 226.320 0.720 20 0 BCADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCC1 ZINC000334385204 135382073 /nfs/dbraw/zinc/38/20/73/135382073.db2.gz MTVGINMZQPUTSK-GFCCVEGCSA-N 1 2 226.320 0.720 20 0 BCADLO C[C@H]1CC[N@H+](Cc2ncccn2)C[C@H]1O ZINC000299917899 135382295 /nfs/dbraw/zinc/38/22/95/135382295.db2.gz UTFQJJQCOIJMJJ-VHSXEESVSA-N 1 2 207.277 0.679 20 0 BCADLO C[C@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1O ZINC000299917899 135382296 /nfs/dbraw/zinc/38/22/96/135382296.db2.gz UTFQJJQCOIJMJJ-VHSXEESVSA-N 1 2 207.277 0.679 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000334389097 135382695 /nfs/dbraw/zinc/38/26/95/135382695.db2.gz RIVSOFGQOLAWBS-VIFPVBQESA-N 1 2 241.241 0.748 20 0 BCADLO C[N@@H+]1CCO[C@H]2CCN(CC(F)(F)F)C[C@H]21 ZINC000334402603 135390833 /nfs/dbraw/zinc/39/08/33/135390833.db2.gz HMYYFUTVHQGILV-BDAKNGLRSA-N 1 2 238.253 0.954 20 0 BCADLO C[N@H+]1CCO[C@H]2CCN(CC(F)(F)F)C[C@H]21 ZINC000334402603 135390834 /nfs/dbraw/zinc/39/08/34/135390834.db2.gz HMYYFUTVHQGILV-BDAKNGLRSA-N 1 2 238.253 0.954 20 0 BCADLO O=C(C[NH+]1CC(O)(C2CC2)C1)N1CCCCC1 ZINC000089679426 135539141 /nfs/dbraw/zinc/53/91/41/135539141.db2.gz RYCCGYODUYCRPE-UHFFFAOYSA-N 1 2 238.331 0.456 20 0 BCADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008147 135544288 /nfs/dbraw/zinc/54/42/88/135544288.db2.gz MQSXXDJPUODMGH-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CCNC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090008147 135544289 /nfs/dbraw/zinc/54/42/89/135544289.db2.gz MQSXXDJPUODMGH-JTQLQIEISA-N 1 2 212.293 0.233 20 0 BCADLO CN(C)c1ncc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000345824557 135896783 /nfs/dbraw/zinc/89/67/83/135896783.db2.gz XHAVLFOUQVWNOY-UHFFFAOYSA-N 1 2 246.318 0.566 20 0 BCADLO CCNC(=O)C1C[NH+](Cc2cc(C)on2)C1 ZINC000347702987 136007510 /nfs/dbraw/zinc/00/75/10/136007510.db2.gz GFMJIJJJAFENEZ-UHFFFAOYSA-N 1 2 223.276 0.551 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000347778997 136009250 /nfs/dbraw/zinc/00/92/50/136009250.db2.gz KBAVUCCQCHQVED-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000347778997 136009251 /nfs/dbraw/zinc/00/92/51/136009251.db2.gz KBAVUCCQCHQVED-CYBMUJFWSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000347778999 136009283 /nfs/dbraw/zinc/00/92/83/136009283.db2.gz KBAVUCCQCHQVED-ZDUSSCGKSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000347778999 136009284 /nfs/dbraw/zinc/00/92/84/136009284.db2.gz KBAVUCCQCHQVED-ZDUSSCGKSA-N 1 2 236.315 0.837 20 0 BCADLO CCc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000347849780 136012283 /nfs/dbraw/zinc/01/22/83/136012283.db2.gz NEVRCJMRVSNIQY-LBPRGKRZSA-N 1 2 249.314 0.330 20 0 BCADLO CCc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000347849780 136012284 /nfs/dbraw/zinc/01/22/84/136012284.db2.gz NEVRCJMRVSNIQY-LBPRGKRZSA-N 1 2 249.314 0.330 20 0 BCADLO C[C@@H](C(=O)N(C)CC1CCC1)[NH+]1CCOCC1 ZINC000347945951 136019401 /nfs/dbraw/zinc/01/94/01/136019401.db2.gz YKRNLIFMVTVLPE-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CC1(C)NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000335306232 136026366 /nfs/dbraw/zinc/02/63/66/136026366.db2.gz KTDYJSNQDRISQP-ZETCQYMHSA-N 1 2 248.286 0.597 20 0 BCADLO CC1(C)NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000335306232 136026367 /nfs/dbraw/zinc/02/63/67/136026367.db2.gz KTDYJSNQDRISQP-ZETCQYMHSA-N 1 2 248.286 0.597 20 0 BCADLO O=C(Nc1ccncc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335313534 136031556 /nfs/dbraw/zinc/03/15/56/136031556.db2.gz NLTXMURHIDQHBA-SNVBAGLBSA-N 1 2 242.282 0.901 20 0 BCADLO CCCCNC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348096010 136035547 /nfs/dbraw/zinc/03/55/47/136035547.db2.gz NYMHHLUMRJRIMM-QMMMGPOBSA-N 1 2 240.307 0.945 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]CCC(=O)NC(C)C)n1 ZINC000348092778 136035637 /nfs/dbraw/zinc/03/56/37/136035637.db2.gz AQYLERFWTVKETP-MRVPVSSYSA-N 1 2 240.307 0.943 20 0 BCADLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)n1 ZINC000348097403 136035701 /nfs/dbraw/zinc/03/57/01/136035701.db2.gz VCMHPCHCLUAJKO-RNFRBKRXSA-N 1 2 238.291 0.696 20 0 BCADLO C[C@@H]1CCSCC[N@@H+]1Cc1nnn(C)n1 ZINC000348158691 136040977 /nfs/dbraw/zinc/04/09/77/136040977.db2.gz LPXZCHGSWLSBHW-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO C[C@@H]1CCSCC[N@H+]1Cc1nnn(C)n1 ZINC000348158691 136040978 /nfs/dbraw/zinc/04/09/78/136040978.db2.gz LPXZCHGSWLSBHW-MRVPVSSYSA-N 1 2 227.337 0.538 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348179663 136043308 /nfs/dbraw/zinc/04/33/08/136043308.db2.gz GMHXLLUOPRUMAP-BQBZGAKWSA-N 1 2 223.219 0.909 20 0 BCADLO COCCOCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348212403 136045510 /nfs/dbraw/zinc/04/55/10/136045510.db2.gz SQLVEGVBQMOCRR-MRXNPFEDSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348212403 136045511 /nfs/dbraw/zinc/04/55/11/136045511.db2.gz SQLVEGVBQMOCRR-MRXNPFEDSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348212402 136045814 /nfs/dbraw/zinc/04/58/14/136045814.db2.gz SQLVEGVBQMOCRR-INIZCTEOSA-N 1 2 249.376 0.492 20 0 BCADLO COCCOCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348212402 136045815 /nfs/dbraw/zinc/04/58/15/136045815.db2.gz SQLVEGVBQMOCRR-INIZCTEOSA-N 1 2 249.376 0.492 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000348220246 136047082 /nfs/dbraw/zinc/04/70/82/136047082.db2.gz MTTAHEOIFUJXBX-WDEREUQCSA-N 1 2 225.292 0.348 20 0 BCADLO CCOCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000348219305 136047249 /nfs/dbraw/zinc/04/72/49/136047249.db2.gz LYMZDZBKKKLPKP-QWRGUYRKSA-N 1 2 245.319 0.315 20 0 BCADLO CCO[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335322561 136050476 /nfs/dbraw/zinc/05/04/76/136050476.db2.gz WRRHWGSNYNFFRQ-SECBINFHSA-N 1 2 223.276 0.650 20 0 BCADLO C[C@H]1C[N@H+](C)CCN1C(=O)C1CCC(=O)CC1 ZINC000335331111 136053719 /nfs/dbraw/zinc/05/37/19/136053719.db2.gz XBFBVQWJNWXOBM-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C1CCC(=O)CC1 ZINC000335331111 136053720 /nfs/dbraw/zinc/05/37/20/136053720.db2.gz XBFBVQWJNWXOBM-JTQLQIEISA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C1CCC(=O)CC1 ZINC000335331112 136053839 /nfs/dbraw/zinc/05/38/39/136053839.db2.gz XBFBVQWJNWXOBM-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C1CCC(=O)CC1 ZINC000335331112 136053840 /nfs/dbraw/zinc/05/38/40/136053840.db2.gz XBFBVQWJNWXOBM-SNVBAGLBSA-N 1 2 238.331 0.908 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1cncnc1 ZINC000348274668 136059508 /nfs/dbraw/zinc/05/95/08/136059508.db2.gz LOGAVMDFFIMYBP-UHFFFAOYSA-N 1 2 244.254 0.810 20 0 BCADLO CCOCC[N@H+](CC(=O)OC)C1CC1 ZINC000348234002 136060756 /nfs/dbraw/zinc/06/07/56/136060756.db2.gz RVDVOADHOOUAII-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO CCOCC[N@@H+](CC(=O)OC)C1CC1 ZINC000348234002 136060757 /nfs/dbraw/zinc/06/07/57/136060757.db2.gz RVDVOADHOOUAII-UHFFFAOYSA-N 1 2 201.266 0.660 20 0 BCADLO O=C(Nc1ccncc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335344470 136065423 /nfs/dbraw/zinc/06/54/23/136065423.db2.gz DKBISALXMOZEJC-JTQLQIEISA-N 1 2 242.282 0.901 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1ccnnc1 ZINC000348319781 136069147 /nfs/dbraw/zinc/06/91/47/136069147.db2.gz GTWDIENIIIJGOO-UHFFFAOYSA-N 1 2 244.254 0.810 20 0 BCADLO CC1=CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000335387370 136089170 /nfs/dbraw/zinc/08/91/70/136089170.db2.gz VZAYROLWXHUQKF-GFCCVEGCSA-N 1 2 238.331 0.886 20 0 BCADLO Cn1cncc1C(=O)Nc1cc[nH+]cc1O ZINC000348535389 136095759 /nfs/dbraw/zinc/09/57/59/136095759.db2.gz YFSOQXMQMAASJU-UHFFFAOYSA-N 1 2 218.216 0.195 20 0 BCADLO CO[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335547350 136096915 /nfs/dbraw/zinc/09/69/15/136096915.db2.gz FIUDBOOFAWQLKX-ZYHUDNBSSA-N 1 2 249.314 0.693 20 0 BCADLO CO[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335547348 136097151 /nfs/dbraw/zinc/09/71/51/136097151.db2.gz FIUDBOOFAWQLKX-JQWIXIFHSA-N 1 2 249.314 0.693 20 0 BCADLO O=C(NCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC000335564010 136107152 /nfs/dbraw/zinc/10/71/52/136107152.db2.gz FJJYBZMBMVXYSM-QMMMGPOBSA-N 1 2 211.240 0.531 20 0 BCADLO CCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335563989 136107276 /nfs/dbraw/zinc/10/72/76/136107276.db2.gz DXAXCXWPWZLFST-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H](CO)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335565049 136107310 /nfs/dbraw/zinc/10/73/10/136107310.db2.gz OIHPKFCJDJCDAC-NXEZZACHSA-N 1 2 237.303 0.285 20 0 BCADLO CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000348636330 136114423 /nfs/dbraw/zinc/11/44/23/136114423.db2.gz QTHRYILMRCYPIC-GFCCVEGCSA-N 1 2 241.379 0.879 20 0 BCADLO Cc1cc(CNC(=O)[C@@H]2COC(=O)N2)cc(C)[nH+]1 ZINC000496215160 533673475 /nfs/dbraw/zinc/67/34/75/533673475.db2.gz CELVEWUEHPZXDX-JTQLQIEISA-N 1 2 249.270 0.423 20 0 BCADLO COC(=O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000181472859 397808030 /nfs/dbraw/zinc/80/80/30/397808030.db2.gz IUADMUUEVAVKHR-MRVPVSSYSA-N 1 2 203.282 0.546 20 0 BCADLO CN(C)S(=O)(=O)CCCn1cc[nH+]c1 ZINC000104664343 397783819 /nfs/dbraw/zinc/78/38/19/397783819.db2.gz JAVKNEKXHBNUAK-UHFFFAOYSA-N 1 2 217.294 0.165 20 0 BCADLO COC(=O)C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000178815063 397803666 /nfs/dbraw/zinc/80/36/66/397803666.db2.gz NDFBPFVREIZLPM-SECBINFHSA-N 1 2 239.275 0.174 20 0 BCADLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 ZINC000177024968 397840543 /nfs/dbraw/zinc/84/05/43/397840543.db2.gz NOFCAOVQSBHMKS-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 ZINC000177024968 397840545 /nfs/dbraw/zinc/84/05/45/397840545.db2.gz NOFCAOVQSBHMKS-NEPJUHHUSA-N 1 2 248.330 0.663 20 0 BCADLO CC[C@H]([NH2+][C@H](C)COCCOC)C(=O)OC ZINC000336749769 397871248 /nfs/dbraw/zinc/87/12/48/397871248.db2.gz YYOONARWWINXGI-ZJUUUORDSA-N 1 2 233.308 0.579 20 0 BCADLO Cc1cc(NC(=O)N[C@@H](CO)CCF)cc[nH+]1 ZINC000650107051 397927062 /nfs/dbraw/zinc/92/70/62/397927062.db2.gz IZAVKIOBIQNPPD-SNVBAGLBSA-N 1 2 241.266 0.654 20 0 BCADLO Cc1[nH]c(C(=O)N[C@@H](C)Cn2cccn2)c[nH+]1 ZINC000264832064 397928331 /nfs/dbraw/zinc/92/83/31/397928331.db2.gz JGIBAGWOWWQCES-QMMMGPOBSA-N 1 2 233.275 0.733 20 0 BCADLO C[C@H](CO)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537713 397930784 /nfs/dbraw/zinc/93/07/84/397930784.db2.gz PMTQXDDYSIEPGO-DTWKUNHWSA-N 1 2 241.291 0.583 20 0 BCADLO C[C@H](CO)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537713 397930786 /nfs/dbraw/zinc/93/07/86/397930786.db2.gz PMTQXDDYSIEPGO-DTWKUNHWSA-N 1 2 241.291 0.583 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CO ZINC000440528668 397931783 /nfs/dbraw/zinc/93/17/83/397931783.db2.gz FMIWIHZWICSVFT-ZJUUUORDSA-N 1 2 242.298 0.308 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CO ZINC000440528668 397931787 /nfs/dbraw/zinc/93/17/87/397931787.db2.gz FMIWIHZWICSVFT-ZJUUUORDSA-N 1 2 242.298 0.308 20 0 BCADLO CC1(C)CN(c2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000388027358 397942475 /nfs/dbraw/zinc/94/24/75/397942475.db2.gz KJPOCWZNKKAOPP-JTQLQIEISA-N 1 2 222.288 0.781 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)CCO)n1 ZINC000268222307 397950370 /nfs/dbraw/zinc/95/03/70/397950370.db2.gz MMZSVFDDLSCFTA-UHFFFAOYSA-N 1 2 211.265 0.169 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCO)n1 ZINC000268222307 397950374 /nfs/dbraw/zinc/95/03/74/397950374.db2.gz MMZSVFDDLSCFTA-UHFFFAOYSA-N 1 2 211.265 0.169 20 0 BCADLO CC(C)(O)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359389316 397953358 /nfs/dbraw/zinc/95/33/58/397953358.db2.gz FNFGAUBVYRAXGI-MRVPVSSYSA-N 1 2 237.303 0.544 20 0 BCADLO CC(C)(O)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359389316 397953360 /nfs/dbraw/zinc/95/33/60/397953360.db2.gz FNFGAUBVYRAXGI-MRVPVSSYSA-N 1 2 237.303 0.544 20 0 BCADLO CCc1cc(N[C@@H](CC)C(=O)NC)nc[nH+]1 ZINC000649564055 397953753 /nfs/dbraw/zinc/95/37/53/397953753.db2.gz MWCOHBDDMWZSHD-VIFPVBQESA-N 1 2 222.292 0.976 20 0 BCADLO CCOCCO[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359683813 397956030 /nfs/dbraw/zinc/95/60/30/397956030.db2.gz QXZKNABLEDUJES-SECBINFHSA-N 1 2 241.291 0.468 20 0 BCADLO CCOCCO[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359683813 397956035 /nfs/dbraw/zinc/95/60/35/397956035.db2.gz QXZKNABLEDUJES-SECBINFHSA-N 1 2 241.291 0.468 20 0 BCADLO CN(CC(=O)NC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493567905 397959077 /nfs/dbraw/zinc/95/90/77/397959077.db2.gz ZXVNEHUSYOWVTC-SNAWJCMRSA-N 1 2 248.286 0.160 20 0 BCADLO CCN1CCCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000191546389 397890166 /nfs/dbraw/zinc/89/01/66/397890166.db2.gz KJPBWNJJQCOAFI-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCCC1 ZINC000390658601 397898088 /nfs/dbraw/zinc/89/80/88/397898088.db2.gz PNKSIJMUNHTJFY-UHFFFAOYSA-N 1 2 243.332 0.699 20 0 BCADLO O=C1CC[N@H+](Cc2ncc(C3CC3)o2)CCN1 ZINC000270666930 397961962 /nfs/dbraw/zinc/96/19/62/397961962.db2.gz WRAITJCEHCIQIB-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO O=C1CC[N@@H+](Cc2ncc(C3CC3)o2)CCN1 ZINC000270666930 397961965 /nfs/dbraw/zinc/96/19/65/397961965.db2.gz WRAITJCEHCIQIB-UHFFFAOYSA-N 1 2 235.287 0.874 20 0 BCADLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000049678965 397962092 /nfs/dbraw/zinc/96/20/92/397962092.db2.gz QZISNVIZPBHHNF-UHFFFAOYSA-N 1 2 234.303 0.286 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cocn1 ZINC000264304404 397918963 /nfs/dbraw/zinc/91/89/63/397918963.db2.gz ZRJGRRWGUWQYTE-VIFPVBQESA-N 1 2 239.275 0.125 20 0 BCADLO CO[C@@H](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264825602 397926756 /nfs/dbraw/zinc/92/67/56/397926756.db2.gz ICQXSVJTQUJRQY-ZETCQYMHSA-N 1 2 211.265 0.873 20 0 BCADLO O=C(C1=COCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371526857 397994598 /nfs/dbraw/zinc/99/45/98/397994598.db2.gz UCOOSBRWZILRGP-SECBINFHSA-N 1 2 249.270 0.961 20 0 BCADLO O=C(C1=COCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371526859 397994620 /nfs/dbraw/zinc/99/46/20/397994620.db2.gz UCOOSBRWZILRGP-VIFPVBQESA-N 1 2 249.270 0.961 20 0 BCADLO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)ccn1 ZINC000372312720 398000898 /nfs/dbraw/zinc/00/08/98/398000898.db2.gz AYPSIYPSNQWFLS-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO COc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)ccn1 ZINC000372312720 398000901 /nfs/dbraw/zinc/00/09/01/398000901.db2.gz AYPSIYPSNQWFLS-JTQLQIEISA-N 1 2 249.314 0.801 20 0 BCADLO CC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372322118 398002313 /nfs/dbraw/zinc/00/23/13/398002313.db2.gz VUNMEQLSAUMUQY-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO Cc1cncc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000649622316 398006894 /nfs/dbraw/zinc/00/68/94/398006894.db2.gz AXCHQHGUIGNROE-JTQLQIEISA-N 1 2 234.303 0.148 20 0 BCADLO Cc1cncc(CC[N@H+]2CC(=O)N[C@@H](C)C2)n1 ZINC000649622316 398006898 /nfs/dbraw/zinc/00/68/98/398006898.db2.gz AXCHQHGUIGNROE-JTQLQIEISA-N 1 2 234.303 0.148 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1O ZINC000649622415 398007056 /nfs/dbraw/zinc/00/70/56/398007056.db2.gz GOCHHDLUSMRTAJ-VXGBXAGGSA-N 1 2 237.303 0.021 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1O ZINC000649622415 398007058 /nfs/dbraw/zinc/00/70/58/398007058.db2.gz GOCHHDLUSMRTAJ-VXGBXAGGSA-N 1 2 237.303 0.021 20 0 BCADLO COC(=O)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276743808 398023699 /nfs/dbraw/zinc/02/36/99/398023699.db2.gz VDCCKYOZEHDCRT-SDLBARTOSA-N 1 2 223.232 0.101 20 0 BCADLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000649691212 398037132 /nfs/dbraw/zinc/03/71/32/398037132.db2.gz QUWDKWSMMTUFNF-SFYZADRCSA-N 1 2 228.296 0.397 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000649691210 398037330 /nfs/dbraw/zinc/03/73/30/398037330.db2.gz QUWDKWSMMTUFNF-HTQZYQBOSA-N 1 2 228.296 0.397 20 0 BCADLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000649691213 398037787 /nfs/dbraw/zinc/03/77/87/398037787.db2.gz QUWDKWSMMTUFNF-YUMQZZPRSA-N 1 2 228.296 0.397 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000278584571 398039772 /nfs/dbraw/zinc/03/97/72/398039772.db2.gz JYHGYVMOKFZGAT-DTWKUNHWSA-N 1 2 237.303 0.896 20 0 BCADLO CNC(=O)C1C[NH+](Cc2snnc2C)C1 ZINC000649586499 397976484 /nfs/dbraw/zinc/97/64/84/397976484.db2.gz FPPPNPXTIGEEDQ-UHFFFAOYSA-N 1 2 226.305 0.024 20 0 BCADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000362014172 397977531 /nfs/dbraw/zinc/97/75/31/397977531.db2.gz LLRNDIVAFROLRQ-UWVGGRQHSA-N 1 2 241.291 0.662 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000362014171 397977557 /nfs/dbraw/zinc/97/75/57/397977557.db2.gz LLRNDIVAFROLRQ-NXEZZACHSA-N 1 2 241.291 0.662 20 0 BCADLO C[C@@H](CSCCF)[NH2+]Cc1nnn(C)n1 ZINC000595045979 397979506 /nfs/dbraw/zinc/97/95/06/397979506.db2.gz CMAYZYNGBKOPTA-ZETCQYMHSA-N 1 2 233.316 0.391 20 0 BCADLO CCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649729581 398067817 /nfs/dbraw/zinc/06/78/17/398067817.db2.gz BZWYUSMOBXFGTH-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CCNC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649729581 398067820 /nfs/dbraw/zinc/06/78/20/398067820.db2.gz BZWYUSMOBXFGTH-ZJUUUORDSA-N 1 2 214.309 0.622 20 0 BCADLO CO[C@H](C)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307691402 398069757 /nfs/dbraw/zinc/06/97/57/398069757.db2.gz PRIXZPAWINQXNM-ZDMBXUJBSA-N 1 2 205.323 0.474 20 0 BCADLO CO[C@H](C)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307691402 398069761 /nfs/dbraw/zinc/06/97/61/398069761.db2.gz PRIXZPAWINQXNM-ZDMBXUJBSA-N 1 2 205.323 0.474 20 0 BCADLO CC[C@H]1C[N@H+](CC(=O)N(C)CC)[C@@H](C)CO1 ZINC000649731267 398071716 /nfs/dbraw/zinc/07/17/16/398071716.db2.gz FJFHJBKOIQKFDR-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CC)[C@@H](C)CO1 ZINC000649731267 398071720 /nfs/dbraw/zinc/07/17/20/398071720.db2.gz FJFHJBKOIQKFDR-QWRGUYRKSA-N 1 2 228.336 0.964 20 0 BCADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1cscn1 ZINC000221098011 398093725 /nfs/dbraw/zinc/09/37/25/398093725.db2.gz UUOYGTGAKBCUJF-SSDOTTSWSA-N 1 2 249.361 0.343 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)CO1 ZINC000649735028 398075801 /nfs/dbraw/zinc/07/58/01/398075801.db2.gz DVFLPWOZYJKHRY-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H](C)CO1 ZINC000649735028 398075804 /nfs/dbraw/zinc/07/58/04/398075804.db2.gz DVFLPWOZYJKHRY-RKDXNWHRSA-N 1 2 240.307 0.108 20 0 BCADLO Cn1ncnc1C[NH2+]Cc1cnn2ccccc12 ZINC000389333651 398076351 /nfs/dbraw/zinc/07/63/51/398076351.db2.gz SRVHIPDEOQFSRF-UHFFFAOYSA-N 1 2 242.286 0.753 20 0 BCADLO Cn1ncnc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000389333715 398076357 /nfs/dbraw/zinc/07/63/57/398076357.db2.gz SXLBCBPMQXIHTA-SSDOTTSWSA-N 1 2 238.213 0.218 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOCC1CC1 ZINC000186936602 398078284 /nfs/dbraw/zinc/07/82/84/398078284.db2.gz XORKNBFRYPNZMI-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOCC1CC1 ZINC000186936602 398078286 /nfs/dbraw/zinc/07/82/86/398078286.db2.gz XORKNBFRYPNZMI-JTQLQIEISA-N 1 2 226.320 0.576 20 0 BCADLO Cc1nc(N2CCCSCC2)nc(N)[nH+]1 ZINC000389406135 398081627 /nfs/dbraw/zinc/08/16/27/398081627.db2.gz LCBFNPBNDMEMTL-UHFFFAOYSA-N 1 2 225.321 0.536 20 0 BCADLO Cc1nc(N)nc(N2CCCSCC2)[nH+]1 ZINC000389406135 398081630 /nfs/dbraw/zinc/08/16/30/398081630.db2.gz LCBFNPBNDMEMTL-UHFFFAOYSA-N 1 2 225.321 0.536 20 0 BCADLO CC[N@H+](Cc1nccc(N)n1)[C@H]1CCCOC1 ZINC000649755499 398086447 /nfs/dbraw/zinc/08/64/47/398086447.db2.gz PKWCJBRVBMGDAV-JTQLQIEISA-N 1 2 236.319 0.890 20 0 BCADLO CC[N@@H+](Cc1nccc(N)n1)[C@H]1CCCOC1 ZINC000649755499 398086450 /nfs/dbraw/zinc/08/64/50/398086450.db2.gz PKWCJBRVBMGDAV-JTQLQIEISA-N 1 2 236.319 0.890 20 0 BCADLO CCO[C@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290987055 398087645 /nfs/dbraw/zinc/08/76/45/398087645.db2.gz WOUOUXDVCZNXIF-MNOVXSKESA-N 1 2 235.287 0.650 20 0 BCADLO CC[N@H+](Cc1nnnn1C)[C@H]1CCCOC1 ZINC000649758370 398088381 /nfs/dbraw/zinc/08/83/81/398088381.db2.gz NBFDBSRKHRVLTG-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C)[C@H]1CCCOC1 ZINC000649758370 398088384 /nfs/dbraw/zinc/08/83/84/398088384.db2.gz NBFDBSRKHRVLTG-VIFPVBQESA-N 1 2 225.296 0.211 20 0 BCADLO COCC[C@H]1COCC[N@@H+]1Cc1n[nH]cc1C ZINC000291214706 398091790 /nfs/dbraw/zinc/09/17/90/398091790.db2.gz IXQCTIGVYDZEJJ-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO COCC[C@H]1COCC[N@H+]1Cc1n[nH]cc1C ZINC000291214706 398091792 /nfs/dbraw/zinc/09/17/92/398091792.db2.gz IXQCTIGVYDZEJJ-NSHDSACASA-N 1 2 239.319 0.955 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281159028 398058278 /nfs/dbraw/zinc/05/82/78/398058278.db2.gz KNAILVLCEFSRPF-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO CC[C@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281159028 398058284 /nfs/dbraw/zinc/05/82/84/398058284.db2.gz KNAILVLCEFSRPF-LLVKDONJSA-N 1 2 225.292 0.620 20 0 BCADLO O[C@@H]1COC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000649790922 398103293 /nfs/dbraw/zinc/10/32/93/398103293.db2.gz PPFQIRXJUXDSDW-VXGBXAGGSA-N 1 2 233.271 0.412 20 0 BCADLO Cc1nnc(C[NH+]2CCC([C@@H](C)CO)CC2)[nH]1 ZINC000649798387 398106920 /nfs/dbraw/zinc/10/69/20/398106920.db2.gz ZDGUHZWGWZFHPU-VIFPVBQESA-N 1 2 238.335 0.954 20 0 BCADLO CCn1cc(C[N@H+](CC(=O)NC)C(C)C)cn1 ZINC000649812070 398119741 /nfs/dbraw/zinc/11/97/41/398119741.db2.gz JAJFHAGXDOFETQ-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCn1cc(C[N@@H+](CC(=O)NC)C(C)C)cn1 ZINC000649812070 398119744 /nfs/dbraw/zinc/11/97/44/398119744.db2.gz JAJFHAGXDOFETQ-UHFFFAOYSA-N 1 2 238.335 0.859 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523438358 398113393 /nfs/dbraw/zinc/11/33/93/398113393.db2.gz BOWDZRCFAHAIPO-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO CCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523438358 398113395 /nfs/dbraw/zinc/11/33/95/398113395.db2.gz BOWDZRCFAHAIPO-QWRGUYRKSA-N 1 2 244.335 0.248 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N(CCO)C1CCC1 ZINC000221032024 398115318 /nfs/dbraw/zinc/11/53/18/398115318.db2.gz NXFAQEPASRMIBM-UHFFFAOYSA-N 1 2 247.302 0.715 20 0 BCADLO O=C(N[C@H]1CCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214632 398131047 /nfs/dbraw/zinc/13/10/47/398131047.db2.gz LOLKQIZBBVMKLG-UWVGGRQHSA-N 1 2 235.287 0.351 20 0 BCADLO CC(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000389738205 398131270 /nfs/dbraw/zinc/13/12/70/398131270.db2.gz UXQCJNIEBJDZCR-UHFFFAOYSA-N 1 2 205.221 0.377 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnnn2C)C2(CCC2)CO1 ZINC000649821650 398122403 /nfs/dbraw/zinc/12/24/03/398122403.db2.gz NBIOISDJYLFERW-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnnn2C)C2(CCC2)CO1 ZINC000649821650 398122405 /nfs/dbraw/zinc/12/24/05/398122405.db2.gz NBIOISDJYLFERW-JTQLQIEISA-N 1 2 236.319 0.959 20 0 BCADLO CC(F)(F)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637174171 398123321 /nfs/dbraw/zinc/12/33/21/398123321.db2.gz RIGBGSJINGDUEE-SSDOTTSWSA-N 1 2 244.245 0.762 20 0 BCADLO Cc1cnc(C[NH2+]C2COCCOC2)o1 ZINC000389747023 398134218 /nfs/dbraw/zinc/13/42/18/398134218.db2.gz XWCMPEXKORNEIW-UHFFFAOYSA-N 1 2 212.249 0.488 20 0 BCADLO CC[C@]1(CO)CCC[N@H+](Cc2nnnn2C)C1 ZINC000408369623 398134690 /nfs/dbraw/zinc/13/46/90/398134690.db2.gz ZSOUXZKAWIECHA-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CC[C@]1(CO)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408369623 398134692 /nfs/dbraw/zinc/13/46/92/398134692.db2.gz ZSOUXZKAWIECHA-NSHDSACASA-N 1 2 239.323 0.195 20 0 BCADLO CC(C)NC(=O)CC[N@H+](C)Cc1nccn1C ZINC000270965265 167040538 /nfs/dbraw/zinc/04/05/38/167040538.db2.gz BFAKCIORVWLMFY-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO CC(C)NC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000270965265 167040541 /nfs/dbraw/zinc/04/05/41/167040541.db2.gz BFAKCIORVWLMFY-UHFFFAOYSA-N 1 2 238.335 0.767 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305759293 167047846 /nfs/dbraw/zinc/04/78/46/167047846.db2.gz CRDISPWSCBHTSB-ZETCQYMHSA-N 1 2 242.241 0.366 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305759293 167047849 /nfs/dbraw/zinc/04/78/49/167047849.db2.gz CRDISPWSCBHTSB-ZETCQYMHSA-N 1 2 242.241 0.366 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1csnn1 ZINC000398253259 322867813 /nfs/dbraw/zinc/86/78/13/322867813.db2.gz XTWNCYCPXXMLIF-YUMQZZPRSA-N 1 2 240.332 0.857 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356137137 167072455 /nfs/dbraw/zinc/07/24/55/167072455.db2.gz ZKJCQHRJEUYKQZ-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356137137 167072458 /nfs/dbraw/zinc/07/24/58/167072458.db2.gz ZKJCQHRJEUYKQZ-JTQLQIEISA-N 1 2 229.324 0.415 20 0 BCADLO CC(C)NS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000272191960 167128516 /nfs/dbraw/zinc/12/85/16/167128516.db2.gz MLBAWCVDKAQTST-VIFPVBQESA-N 1 2 246.336 0.104 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337462199 167152353 /nfs/dbraw/zinc/15/23/53/167152353.db2.gz QAOQECDOGCEMLK-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337462199 167152356 /nfs/dbraw/zinc/15/23/56/167152356.db2.gz QAOQECDOGCEMLK-JTQLQIEISA-N 1 2 242.319 0.491 20 0 BCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1[nH]cc[nH+]1 ZINC000140994492 487562058 /nfs/dbraw/zinc/56/20/58/487562058.db2.gz LXONUBVEUXWCHA-HTQZYQBOSA-N 1 2 236.275 0.065 20 0 BCADLO Cn1cc(C[NH+]2CC(C3CCOCC3)C2)nn1 ZINC000669715664 487568603 /nfs/dbraw/zinc/56/86/03/487568603.db2.gz CBALKHTYKHZDHS-UHFFFAOYSA-N 1 2 236.319 0.674 20 0 BCADLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)no1 ZINC000530810929 322894877 /nfs/dbraw/zinc/89/48/77/322894877.db2.gz APUBCDVDMANBRK-UHFFFAOYSA-N 1 2 234.259 0.538 20 0 BCADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)[C@@H]1CO ZINC000227173754 487574118 /nfs/dbraw/zinc/57/41/18/487574118.db2.gz PGKSDPMZOKGJHO-GXSJLCMTSA-N 1 2 222.288 0.781 20 0 BCADLO CC(C)OCCC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000340868512 167209161 /nfs/dbraw/zinc/20/91/61/167209161.db2.gz JHLOOZGJFNXEST-UHFFFAOYSA-N 1 2 228.296 0.757 20 0 BCADLO CC(C)OCCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000340868512 167209164 /nfs/dbraw/zinc/20/91/64/167209164.db2.gz JHLOOZGJFNXEST-UHFFFAOYSA-N 1 2 228.296 0.757 20 0 BCADLO Cn1[nH]c(C[N@@H+]2CCCOC(C)(C)C2)nc1=O ZINC000680376497 487578373 /nfs/dbraw/zinc/57/83/73/487578373.db2.gz XIPUQULTTGOJNQ-UHFFFAOYSA-N 1 2 240.307 0.109 20 0 BCADLO Cn1[nH]c(C[N@H+]2CCCOC(C)(C)C2)nc1=O ZINC000680376497 487578378 /nfs/dbraw/zinc/57/83/78/487578378.db2.gz XIPUQULTTGOJNQ-UHFFFAOYSA-N 1 2 240.307 0.109 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cnoc2)C1 ZINC000673653506 487583591 /nfs/dbraw/zinc/58/35/91/487583591.db2.gz GQVVNVMTYGVVIC-SECBINFHSA-N 1 2 225.248 0.334 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2cnoc2)C1 ZINC000673653506 487583597 /nfs/dbraw/zinc/58/35/97/487583597.db2.gz GQVVNVMTYGVVIC-SECBINFHSA-N 1 2 225.248 0.334 20 0 BCADLO FCCOCC[NH2+]Cc1csnn1 ZINC000668815486 487585465 /nfs/dbraw/zinc/58/54/65/487585465.db2.gz ONCLGXLMIPSSDW-UHFFFAOYSA-N 1 2 205.258 0.614 20 0 BCADLO CC(C)OC[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000336772292 167257596 /nfs/dbraw/zinc/25/75/96/167257596.db2.gz YBFHFELRIAJQOP-MRVPVSSYSA-N 1 2 213.285 0.113 20 0 BCADLO CC(C)OC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000372160984 167262941 /nfs/dbraw/zinc/26/29/41/167262941.db2.gz RMJICBNRJHNGKY-QWRGUYRKSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)OC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000372160984 167262943 /nfs/dbraw/zinc/26/29/43/167262943.db2.gz RMJICBNRJHNGKY-QWRGUYRKSA-N 1 2 242.319 0.001 20 0 BCADLO CC[NH+]1CCN(C(=O)c2nocc2C)CC1 ZINC000082304223 487591006 /nfs/dbraw/zinc/59/10/06/487591006.db2.gz KBFHZKGZORBBDV-UHFFFAOYSA-N 1 2 223.276 0.761 20 0 BCADLO CC[NH+]1CCN(C(=O)c2nnc(C)s2)CC1 ZINC000680496272 487606453 /nfs/dbraw/zinc/60/64/53/487606453.db2.gz WHLCPHBZRCTURA-UHFFFAOYSA-N 1 2 240.332 0.624 20 0 BCADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660720550 409649010 /nfs/dbraw/zinc/64/90/10/409649010.db2.gz KHEBAIUZYJRQNK-KOLCDFICSA-N 1 2 224.308 0.704 20 0 BCADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660720550 409649017 /nfs/dbraw/zinc/64/90/17/409649017.db2.gz KHEBAIUZYJRQNK-KOLCDFICSA-N 1 2 224.308 0.704 20 0 BCADLO [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000662467183 409725058 /nfs/dbraw/zinc/72/50/58/409725058.db2.gz QWSXVEZJHRBSRG-LJGSYFOKSA-N 1 2 231.259 0.634 20 0 BCADLO CC[C@@H]([NH2+]C)C(=O)NCCCc1cn[nH]c1C ZINC000662433507 409715829 /nfs/dbraw/zinc/71/58/29/409715829.db2.gz IGIRIKZEXUUDAV-LLVKDONJSA-N 1 2 238.335 0.765 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C(F)(F)F ZINC000660843676 409839533 /nfs/dbraw/zinc/83/95/33/409839533.db2.gz BTVZOTCYNVXWTA-SCSAIBSYSA-N 1 2 241.169 0.130 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C(F)(F)F ZINC000660843676 409839542 /nfs/dbraw/zinc/83/95/42/409839542.db2.gz BTVZOTCYNVXWTA-SCSAIBSYSA-N 1 2 241.169 0.130 20 0 BCADLO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)on1 ZINC000660833332 409815578 /nfs/dbraw/zinc/81/55/78/409815578.db2.gz NBDBYNRWPMHFFJ-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO COc1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)on1 ZINC000660833332 409815586 /nfs/dbraw/zinc/81/55/86/409815586.db2.gz NBDBYNRWPMHFFJ-SECBINFHSA-N 1 2 239.275 0.394 20 0 BCADLO Cn1c[nH+]cc1CSc1nnc(N)n1C ZINC000085191587 409916367 /nfs/dbraw/zinc/91/63/67/409916367.db2.gz BCPHBGHEQAQZQP-UHFFFAOYSA-N 1 2 224.293 0.423 20 0 BCADLO OCC[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000048065464 409900274 /nfs/dbraw/zinc/90/02/74/409900274.db2.gz UOUFYBMJOLAPCV-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO OCC[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000048065464 409900284 /nfs/dbraw/zinc/90/02/84/409900284.db2.gz UOUFYBMJOLAPCV-UHFFFAOYSA-N 1 2 223.276 0.904 20 0 BCADLO C[C@H](O)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000655369643 409991697 /nfs/dbraw/zinc/99/16/97/409991697.db2.gz CRPXQNXZBNFJQD-VIFPVBQESA-N 1 2 223.276 0.255 20 0 BCADLO Cc1[nH]c(CN(CC(N)=O)C(C)C)[nH+]c1C ZINC000628120477 410022133 /nfs/dbraw/zinc/02/21/33/410022133.db2.gz PDFKCDAWXRQSDO-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO CCn1ncnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661089944 410157534 /nfs/dbraw/zinc/15/75/34/410157534.db2.gz KEVOZNYPWJRPRT-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCn1ncnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661089944 410157544 /nfs/dbraw/zinc/15/75/44/410157544.db2.gz KEVOZNYPWJRPRT-UHFFFAOYSA-N 1 2 220.280 0.653 20 0 BCADLO CCN1OC[C@H](N(C)Cc2c[nH+]c[nH]2)C1=O ZINC000661089721 410158098 /nfs/dbraw/zinc/15/80/98/410158098.db2.gz FVLBKTZTAYSIJI-VIFPVBQESA-N 1 2 224.264 0.004 20 0 BCADLO CCN1OC[C@H](N(C)Cc2c[nH]c[nH+]2)C1=O ZINC000661089721 410158106 /nfs/dbraw/zinc/15/81/06/410158106.db2.gz FVLBKTZTAYSIJI-VIFPVBQESA-N 1 2 224.264 0.004 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1ccc(COC)o1 ZINC000276448508 169742244 /nfs/dbraw/zinc/74/22/44/169742244.db2.gz JODJNMANIJZRLB-UHFFFAOYSA-N 1 2 226.276 0.733 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1ccc(COC)o1 ZINC000276448508 169742245 /nfs/dbraw/zinc/74/22/45/169742245.db2.gz JODJNMANIJZRLB-UHFFFAOYSA-N 1 2 226.276 0.733 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165536 410314349 /nfs/dbraw/zinc/31/43/49/410314349.db2.gz VSWGAVRAENLEEY-LBPRGKRZSA-N 1 2 226.320 0.576 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165536 410314356 /nfs/dbraw/zinc/31/43/56/410314356.db2.gz VSWGAVRAENLEEY-LBPRGKRZSA-N 1 2 226.320 0.576 20 0 BCADLO Cc1cn2ccc(C(=O)NC[C@H](C)O)cc2[nH+]1 ZINC000071540726 410417250 /nfs/dbraw/zinc/41/72/50/410417250.db2.gz APYMXWUTHDNCIP-VIFPVBQESA-N 1 2 233.271 0.753 20 0 BCADLO C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c(C(=O)[O-])c3)C[C@@H]21 ZINC000650772111 410421949 /nfs/dbraw/zinc/42/19/49/410421949.db2.gz OYTIXUPPPIVTLE-SKDRFNHKSA-N 1 2 247.298 0.920 20 0 BCADLO C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c(C(=O)[O-])c3)C[C@@H]21 ZINC000650772111 410421955 /nfs/dbraw/zinc/42/19/55/410421955.db2.gz OYTIXUPPPIVTLE-SKDRFNHKSA-N 1 2 247.298 0.920 20 0 BCADLO Cc1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1 ZINC000663965784 410406675 /nfs/dbraw/zinc/40/66/75/410406675.db2.gz OCVXDKRDANXBHU-TXEJJXNPSA-N 1 2 249.314 0.415 20 0 BCADLO Cc1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1 ZINC000663965784 410406681 /nfs/dbraw/zinc/40/66/81/410406681.db2.gz OCVXDKRDANXBHU-TXEJJXNPSA-N 1 2 249.314 0.415 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)c1nccn(C)c1=O ZINC000664126320 410461254 /nfs/dbraw/zinc/46/12/54/410461254.db2.gz GZKMYSCXVPLDRV-UHFFFAOYSA-N 1 2 219.248 0.140 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)c1nccn(C)c1=O ZINC000664126320 410461259 /nfs/dbraw/zinc/46/12/59/410461259.db2.gz GZKMYSCXVPLDRV-UHFFFAOYSA-N 1 2 219.248 0.140 20 0 BCADLO Cc1nc(N(C)Cc2cn(C)nn2)cc[nH+]1 ZINC000664432946 410582949 /nfs/dbraw/zinc/58/29/49/410582949.db2.gz XZJKSOUBYUSZMY-UHFFFAOYSA-N 1 2 218.264 0.550 20 0 BCADLO C[N@H+](CC(=O)Nc1ccon1)C1CC(O)C1 ZINC000680581749 487617656 /nfs/dbraw/zinc/61/76/56/487617656.db2.gz ZVDBYVCPFJDPAO-UHFFFAOYSA-N 1 2 225.248 0.068 20 0 BCADLO C[N@@H+](CC(=O)Nc1ccon1)C1CC(O)C1 ZINC000680581749 487617660 /nfs/dbraw/zinc/61/76/60/487617660.db2.gz ZVDBYVCPFJDPAO-UHFFFAOYSA-N 1 2 225.248 0.068 20 0 BCADLO COc1c(N)[nH+]cnc1NCCOCCF ZINC000664678561 410616789 /nfs/dbraw/zinc/61/67/89/410616789.db2.gz UEFPRSGFQHYACI-UHFFFAOYSA-N 1 2 230.243 0.465 20 0 BCADLO COc1c(N)nc[nH+]c1NCCOCCF ZINC000664678561 410616793 /nfs/dbraw/zinc/61/67/93/410616793.db2.gz UEFPRSGFQHYACI-UHFFFAOYSA-N 1 2 230.243 0.465 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2N1CC2CC1(C)C2 ZINC000664695085 410617531 /nfs/dbraw/zinc/61/75/31/410617531.db2.gz IXZHTEHBIRDPBR-UHFFFAOYSA-N 1 2 244.302 0.934 20 0 BCADLO Cn1nnc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC000661492484 410707774 /nfs/dbraw/zinc/70/77/74/410707774.db2.gz OWWQLPRZOHRLFZ-PHIMTYICSA-N 1 2 237.307 0.069 20 0 BCADLO Cn1nnc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC000661492484 410707784 /nfs/dbraw/zinc/70/77/84/410707784.db2.gz OWWQLPRZOHRLFZ-PHIMTYICSA-N 1 2 237.307 0.069 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CCO ZINC000661498927 410710663 /nfs/dbraw/zinc/71/06/63/410710663.db2.gz NMBPESCAQZRZGX-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CCO ZINC000661498927 410710669 /nfs/dbraw/zinc/71/06/69/410710669.db2.gz NMBPESCAQZRZGX-BDAKNGLRSA-N 1 2 240.307 0.493 20 0 BCADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@@H]1CCO ZINC000661499639 410713566 /nfs/dbraw/zinc/71/35/66/410713566.db2.gz QPDNHWNYTIOTHK-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@@H]1CCO ZINC000661499639 410713570 /nfs/dbraw/zinc/71/35/70/410713570.db2.gz QPDNHWNYTIOTHK-NXEZZACHSA-N 1 2 239.323 0.193 20 0 BCADLO CCC[C@@H](O)C[N@H+](C)Cc1nnc(C)o1 ZINC000661529063 410729653 /nfs/dbraw/zinc/72/96/53/410729653.db2.gz JJRSITJLLNFQFQ-SECBINFHSA-N 1 2 213.281 0.971 20 0 BCADLO CCC[C@@H](O)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661529063 410729657 /nfs/dbraw/zinc/72/96/57/410729657.db2.gz JJRSITJLLNFQFQ-SECBINFHSA-N 1 2 213.281 0.971 20 0 BCADLO CN(CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651082860 410788439 /nfs/dbraw/zinc/78/84/39/410788439.db2.gz GJYTWPSGPGMLJS-UHFFFAOYSA-N 1 2 237.303 0.213 20 0 BCADLO C[C@@H](C[NH+]1CC(C)(C)C1)S(C)(=O)=O ZINC000651136192 410829803 /nfs/dbraw/zinc/82/98/03/410829803.db2.gz HREBWXMCAONJKX-QMMMGPOBSA-N 1 2 205.323 0.761 20 0 BCADLO CCn1cc(CC[N@@H+]2CCOC[C@H]2CO)cn1 ZINC000661562280 410833959 /nfs/dbraw/zinc/83/39/59/410833959.db2.gz OSRNGRCEGZLPNB-GFCCVEGCSA-N 1 2 239.319 0.139 20 0 BCADLO CCn1cc(CC[N@H+]2CCOC[C@H]2CO)cn1 ZINC000661562280 410833960 /nfs/dbraw/zinc/83/39/60/410833960.db2.gz OSRNGRCEGZLPNB-GFCCVEGCSA-N 1 2 239.319 0.139 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCOCC1CC1 ZINC000661566627 410852419 /nfs/dbraw/zinc/85/24/19/410852419.db2.gz XFKHRACDKZELEH-LLVKDONJSA-N 1 2 215.293 0.106 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCOCC1CC1 ZINC000661566627 410852424 /nfs/dbraw/zinc/85/24/24/410852424.db2.gz XFKHRACDKZELEH-LLVKDONJSA-N 1 2 215.293 0.106 20 0 BCADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000061799627 167046268 /nfs/dbraw/zinc/04/62/68/167046268.db2.gz VDDTWVHECSPPDC-UHFFFAOYSA-N 1 2 243.351 0.358 20 0 BCADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000061799627 167046270 /nfs/dbraw/zinc/04/62/70/167046270.db2.gz VDDTWVHECSPPDC-UHFFFAOYSA-N 1 2 243.351 0.358 20 0 BCADLO CC(C)NC(=O)CN(C)Cc1c[nH+]cn1C ZINC000177266614 167047665 /nfs/dbraw/zinc/04/76/65/167047665.db2.gz KKOZFANBIBFLAU-UHFFFAOYSA-N 1 2 224.308 0.377 20 0 BCADLO CC(C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047575376 167076069 /nfs/dbraw/zinc/07/60/69/167076069.db2.gz WRPANHYQUSNGBZ-VIFPVBQESA-N 1 2 210.281 0.979 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362555 167192254 /nfs/dbraw/zinc/19/22/54/167192254.db2.gz WTXTZYFDYUALQG-VIFPVBQESA-N 1 2 237.303 0.808 20 0 BCADLO CC(C)OCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362555 167192258 /nfs/dbraw/zinc/19/22/58/167192258.db2.gz WTXTZYFDYUALQG-VIFPVBQESA-N 1 2 237.303 0.808 20 0 BCADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000265805537 167258254 /nfs/dbraw/zinc/25/82/54/167258254.db2.gz IPUZRIMEMLMGAN-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265805537 167258257 /nfs/dbraw/zinc/25/82/57/167258257.db2.gz IPUZRIMEMLMGAN-NSHDSACASA-N 1 2 228.292 0.892 20 0 BCADLO CC(C)OC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758264 167269076 /nfs/dbraw/zinc/26/90/76/167269076.db2.gz INGCYFBEQUERIB-UVWXRNBGSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)OC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758264 167269078 /nfs/dbraw/zinc/26/90/78/167269078.db2.gz INGCYFBEQUERIB-UVWXRNBGSA-N 1 2 249.376 0.225 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593693 167373303 /nfs/dbraw/zinc/37/33/03/167373303.db2.gz UIZALZDPJBPBTR-PWSUYJOCSA-N 1 2 246.326 0.553 20 0 BCADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593693 167373306 /nfs/dbraw/zinc/37/33/06/167373306.db2.gz UIZALZDPJBPBTR-PWSUYJOCSA-N 1 2 246.326 0.553 20 0 BCADLO COC[C@@H]1C[C@@H](O)CN1c1cc[nH+]c(C)n1 ZINC000651410225 410992924 /nfs/dbraw/zinc/99/29/24/410992924.db2.gz NNMDIZQPBSRKGX-VHSXEESVSA-N 1 2 223.276 0.371 20 0 BCADLO CC(C)[C@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000353479155 167529849 /nfs/dbraw/zinc/52/98/49/167529849.db2.gz QSTAPTZQEAINCA-NSHDSACASA-N 1 2 225.292 0.775 20 0 BCADLO C[C@H](CCO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000651471426 411052723 /nfs/dbraw/zinc/05/27/23/411052723.db2.gz UFBCKMMILWCOJU-SNVBAGLBSA-N 1 2 247.302 0.869 20 0 BCADLO C[C@H](CCO)N(C)c1nc[nH+]c(N)c1Cl ZINC000651471762 411053860 /nfs/dbraw/zinc/05/38/60/411053860.db2.gz CYLXDNPAHZQHLH-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO C[C@H](CCO)N(C)c1[nH+]cnc(N)c1Cl ZINC000651471762 411053863 /nfs/dbraw/zinc/05/38/63/411053863.db2.gz CYLXDNPAHZQHLH-ZCFIWIBFSA-N 1 2 230.699 0.919 20 0 BCADLO CC(C)c1n[nH]cc1C(=O)N1CC[NH+](C)CC1 ZINC000290111404 167551254 /nfs/dbraw/zinc/55/12/54/167551254.db2.gz XTCWTCZPUQHEKK-UHFFFAOYSA-N 1 2 236.319 0.921 20 0 BCADLO C[C@@H](CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651521291 411078633 /nfs/dbraw/zinc/07/86/33/411078633.db2.gz IWSBZJUKZRNMER-UWVGGRQHSA-N 1 2 225.292 0.721 20 0 BCADLO C[C@H](CC(=O)NC1(CO)CCC1)n1cc[nH+]c1 ZINC000651625368 411131526 /nfs/dbraw/zinc/13/15/26/411131526.db2.gz BALIKLLSTHXPAB-SNVBAGLBSA-N 1 2 237.303 0.865 20 0 BCADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC(F)C1 ZINC000651710941 411137811 /nfs/dbraw/zinc/13/78/11/411137811.db2.gz UNAXZWWMEYZAEC-UHFFFAOYSA-N 1 2 237.278 0.942 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@H](O)C2(CC2)C1 ZINC000493628580 411143223 /nfs/dbraw/zinc/14/32/23/411143223.db2.gz RAWNEZDQOJRKLO-VWCDRPFISA-N 1 2 233.271 0.406 20 0 BCADLO COc1n[nH]c(NCc2c[nH+]cn2C(C)C)n1 ZINC000570920573 411150954 /nfs/dbraw/zinc/15/09/54/411150954.db2.gz PRFGAQOGNJDAFI-UHFFFAOYSA-N 1 2 236.279 1.203 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000659985324 411156082 /nfs/dbraw/zinc/15/60/82/411156082.db2.gz HHMSOEHPHVBBTE-KCJUWKMLSA-N 1 2 224.308 0.885 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000659985324 411156085 /nfs/dbraw/zinc/15/60/85/411156085.db2.gz HHMSOEHPHVBBTE-KCJUWKMLSA-N 1 2 224.308 0.885 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000653652035 411157942 /nfs/dbraw/zinc/15/79/42/411157942.db2.gz IZULCWZQGOWTQU-UHFFFAOYSA-N 1 2 248.290 0.544 20 0 BCADLO O=C1N=NCN1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000653652035 411157944 /nfs/dbraw/zinc/15/79/44/411157944.db2.gz IZULCWZQGOWTQU-UHFFFAOYSA-N 1 2 248.290 0.544 20 0 BCADLO C[C@H]1C[C@H](O)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000401658510 411168819 /nfs/dbraw/zinc/16/88/19/411168819.db2.gz TXYLJZCUVAJBEN-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1C[C@H](O)CN(c2[nH+]cnc(N)c2Cl)C1 ZINC000401658510 411168822 /nfs/dbraw/zinc/16/88/22/411168822.db2.gz TXYLJZCUVAJBEN-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)O1 ZINC000660464757 411172400 /nfs/dbraw/zinc/17/24/00/411172400.db2.gz SWBZLMSEPBXXHD-QMMMGPOBSA-N 1 2 249.274 0.878 20 0 BCADLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)O1 ZINC000660464757 411172403 /nfs/dbraw/zinc/17/24/03/411172403.db2.gz SWBZLMSEPBXXHD-QMMMGPOBSA-N 1 2 249.274 0.878 20 0 BCADLO Cn1cnc(C[NH2+][C@H]2COC3(CCC3)C2)n1 ZINC000657938580 411174096 /nfs/dbraw/zinc/17/40/96/411174096.db2.gz MSFPMHCIRBWJSL-SECBINFHSA-N 1 2 222.292 0.616 20 0 BCADLO c1nnn2c1C[N@H+]([C@H]1CCCOC1)CC2 ZINC000653793560 411179515 /nfs/dbraw/zinc/17/95/15/411179515.db2.gz LDDPAUVMYCFSHS-VIFPVBQESA-N 1 2 208.265 0.273 20 0 BCADLO c1nnn2c1C[N@@H+]([C@H]1CCCOC1)CC2 ZINC000653793560 411179517 /nfs/dbraw/zinc/17/95/17/411179517.db2.gz LDDPAUVMYCFSHS-VIFPVBQESA-N 1 2 208.265 0.273 20 0 BCADLO COc1c(C)[nH+]cnc1N(C)C[C@@H](C)O ZINC000656111548 411180504 /nfs/dbraw/zinc/18/05/04/411180504.db2.gz ODPBKISCRMZAFB-SSDOTTSWSA-N 1 2 211.265 0.611 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000652794087 411182123 /nfs/dbraw/zinc/18/21/23/411182123.db2.gz GSBCKDYLCSGIOK-MWLCHTKSSA-N 1 2 235.287 0.799 20 0 BCADLO COc1c(C)[nH+]cnc1N1CC[C@@](C)(O)C1 ZINC000656137678 411185222 /nfs/dbraw/zinc/18/52/22/411185222.db2.gz IVQXGSADFBSREY-LLVKDONJSA-N 1 2 223.276 0.755 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC[C@H](NC(N)=O)C1 ZINC000656151469 411186671 /nfs/dbraw/zinc/18/66/71/411186671.db2.gz WVXSAOMHHKLJLE-VIFPVBQESA-N 1 2 235.291 0.340 20 0 BCADLO COc1c(C)[nH+]cnc1N1C[C@H](C)[C@H](O)C1 ZINC000656151589 411187002 /nfs/dbraw/zinc/18/70/02/411187002.db2.gz LTLPFUOJECERNG-IONNQARKSA-N 1 2 223.276 0.611 20 0 BCADLO COC[C@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000656152093 411187006 /nfs/dbraw/zinc/18/70/06/411187006.db2.gz JQJLKFQBTUPCNW-SECBINFHSA-N 1 2 241.291 0.603 20 0 BCADLO CCn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000618041219 411189199 /nfs/dbraw/zinc/18/91/99/411189199.db2.gz HRAUDLIDKJYVAC-UHFFFAOYSA-N 1 2 219.248 0.738 20 0 BCADLO CC[C@@](C)(O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155136 411189747 /nfs/dbraw/zinc/18/97/47/411189747.db2.gz JUFICVXLSMXDEH-LLVKDONJSA-N 1 2 241.339 0.679 20 0 BCADLO COc1c(C)[nH+]cnc1NCCCn1ccnn1 ZINC000656157505 411190434 /nfs/dbraw/zinc/19/04/34/411190434.db2.gz NIXWIYXWHHZCLO-UHFFFAOYSA-N 1 2 248.290 0.887 20 0 BCADLO Cn1cnnc1N1CC[NH+](Cc2ccno2)CC1 ZINC000653817879 411192468 /nfs/dbraw/zinc/19/24/68/411192468.db2.gz JNXQEJZFCQNRTB-UHFFFAOYSA-N 1 2 248.290 0.125 20 0 BCADLO Cc1[nH]ncc1CN[C@H](C[NH3+])C(F)(F)F ZINC000656195630 411200779 /nfs/dbraw/zinc/20/07/79/411200779.db2.gz DPOSFVUQJYTVSC-SSDOTTSWSA-N 1 2 222.214 0.697 20 0 BCADLO C[C@@H](O)CCn1c2ccccc2[nH+]c1NCCO ZINC000418767787 411201486 /nfs/dbraw/zinc/20/14/86/411201486.db2.gz SSPOGAPSPWVUNI-SNVBAGLBSA-N 1 2 249.314 1.211 20 0 BCADLO COCC(COC)Nc1nc[nH+]c(C)c1OC ZINC000656196808 411202304 /nfs/dbraw/zinc/20/23/04/411202304.db2.gz LKWZOAPWVYTNQN-UHFFFAOYSA-N 1 2 241.291 0.867 20 0 BCADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCCO1 ZINC000653875685 411206002 /nfs/dbraw/zinc/20/60/02/411206002.db2.gz YIFROCNYFJAFEH-BDAKNGLRSA-N 1 2 240.307 0.948 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H]([C@H](C)O)C1 ZINC000656201846 411207995 /nfs/dbraw/zinc/20/79/95/411207995.db2.gz QNWDGEWZSFTQQI-GXSJLCMTSA-N 1 2 237.303 0.679 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCc2cn[nH]n2)no1 ZINC000660068120 411208944 /nfs/dbraw/zinc/20/89/44/411208944.db2.gz WKTVBJYKIVABOV-UHFFFAOYSA-N 1 2 236.279 0.564 20 0 BCADLO Cc1nc(C(C)(C)[NH2+]CCc2c[nH]nn2)no1 ZINC000660068120 411208946 /nfs/dbraw/zinc/20/89/46/411208946.db2.gz WKTVBJYKIVABOV-UHFFFAOYSA-N 1 2 236.279 0.564 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@@H](O)C(C)C)n1 ZINC000653889324 411209483 /nfs/dbraw/zinc/20/94/83/411209483.db2.gz ZMADXIXSSRSZFA-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@@H](O)C(C)C)n1 ZINC000653889324 411209485 /nfs/dbraw/zinc/20/94/85/411209485.db2.gz ZMADXIXSSRSZFA-SECBINFHSA-N 1 2 213.281 0.827 20 0 BCADLO CCOCC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653889308 411209630 /nfs/dbraw/zinc/20/96/30/411209630.db2.gz YYRKFNGJLPXROO-JTQLQIEISA-N 1 2 243.307 0.597 20 0 BCADLO CCOCC[C@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653889308 411209632 /nfs/dbraw/zinc/20/96/32/411209632.db2.gz YYRKFNGJLPXROO-JTQLQIEISA-N 1 2 243.307 0.597 20 0 BCADLO Cc1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000653889243 411209930 /nfs/dbraw/zinc/20/99/30/411209930.db2.gz WJGWHYGPFUAAEI-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO Cc1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000653889243 411209931 /nfs/dbraw/zinc/20/99/31/411209931.db2.gz WJGWHYGPFUAAEI-UHFFFAOYSA-N 1 2 207.237 0.733 20 0 BCADLO Cc1noc(C[N@@H+](C)CCCC(=O)N(C)C)n1 ZINC000653888834 411210360 /nfs/dbraw/zinc/21/03/60/411210360.db2.gz IRNYYMTXHFGZBN-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO Cc1noc(C[N@H+](C)CCCC(=O)N(C)C)n1 ZINC000653888834 411210362 /nfs/dbraw/zinc/21/03/62/411210362.db2.gz IRNYYMTXHFGZBN-UHFFFAOYSA-N 1 2 240.307 0.678 20 0 BCADLO C[C@H](O)C[N@H+](Cc1ncnn1C)C1CC1 ZINC000653898489 411213959 /nfs/dbraw/zinc/21/39/59/411213959.db2.gz JENHOKQUWLOTPB-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1ncnn1C)C1CC1 ZINC000653898489 411213962 /nfs/dbraw/zinc/21/39/62/411213962.db2.gz JENHOKQUWLOTPB-QMMMGPOBSA-N 1 2 210.281 0.160 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653898077 411214896 /nfs/dbraw/zinc/21/48/96/411214896.db2.gz UYHXLXRVXIZQLC-SSDOTTSWSA-N 1 2 211.265 0.723 20 0 BCADLO Cc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653898077 411214899 /nfs/dbraw/zinc/21/48/99/411214899.db2.gz UYHXLXRVXIZQLC-SSDOTTSWSA-N 1 2 211.265 0.723 20 0 BCADLO CCc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653901949 411216481 /nfs/dbraw/zinc/21/64/81/411216481.db2.gz HBXMIOQFEBAHHR-MRVPVSSYSA-N 1 2 224.308 0.712 20 0 BCADLO CCc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653901949 411216483 /nfs/dbraw/zinc/21/64/83/411216483.db2.gz HBXMIOQFEBAHHR-MRVPVSSYSA-N 1 2 224.308 0.712 20 0 BCADLO C[C@H](O)C[N@H+](Cc1csnn1)C1CC1 ZINC000653902269 411217055 /nfs/dbraw/zinc/21/70/55/411217055.db2.gz PCQMEGAOHLCHOC-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@H](O)C[N@@H+](Cc1csnn1)C1CC1 ZINC000653902269 411217056 /nfs/dbraw/zinc/21/70/56/411217056.db2.gz PCQMEGAOHLCHOC-ZETCQYMHSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)C[N@H+](Cc1csnn1)C1CC1 ZINC000653902268 411217211 /nfs/dbraw/zinc/21/72/11/411217211.db2.gz PCQMEGAOHLCHOC-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO C[C@@H](O)C[N@@H+](Cc1csnn1)C1CC1 ZINC000653902268 411217213 /nfs/dbraw/zinc/21/72/13/411217213.db2.gz PCQMEGAOHLCHOC-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO Cc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653904035 411219839 /nfs/dbraw/zinc/21/98/39/411219839.db2.gz NOUBEEXSJPOYIG-ZETCQYMHSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1nnc(C[N@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653904035 411219842 /nfs/dbraw/zinc/21/98/42/411219842.db2.gz NOUBEEXSJPOYIG-ZETCQYMHSA-N 1 2 210.281 0.458 20 0 BCADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCNC2=O)nn1C ZINC000658053850 411220879 /nfs/dbraw/zinc/22/08/79/411220879.db2.gz ZJADCROQZNBESC-BDAKNGLRSA-N 1 2 222.292 0.268 20 0 BCADLO Cc1cc([C@H](C)[NH2+][C@H]2CCNC2=O)nn1C ZINC000658053856 411221784 /nfs/dbraw/zinc/22/17/84/411221784.db2.gz ZJADCROQZNBESC-IUCAKERBSA-N 1 2 222.292 0.268 20 0 BCADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc2n(n1)CCCC2 ZINC000658054349 411223884 /nfs/dbraw/zinc/22/38/84/411223884.db2.gz DEIUIRGJNNFSFC-ONGXEEELSA-N 1 2 248.330 0.759 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611853063 411228785 /nfs/dbraw/zinc/22/87/85/411228785.db2.gz NCNDFQWPBWESGG-IUCAKERBSA-N 1 2 237.303 0.354 20 0 BCADLO C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611853063 411228789 /nfs/dbraw/zinc/22/87/89/411228789.db2.gz NCNDFQWPBWESGG-IUCAKERBSA-N 1 2 237.303 0.354 20 0 BCADLO CCCNS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660102511 411231908 /nfs/dbraw/zinc/23/19/08/411231908.db2.gz VCAVFJOGHBZXKW-MRVPVSSYSA-N 1 2 246.336 0.315 20 0 BCADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CCO)C2)[nH]1 ZINC000309409147 411241558 /nfs/dbraw/zinc/24/15/58/411241558.db2.gz WIMPXAPNIWZHDN-JTQLQIEISA-N 1 2 224.308 0.708 20 0 BCADLO Cc1nnc(C[N@H+]2CCC[C@@H](CCO)C2)[nH]1 ZINC000309409147 411241560 /nfs/dbraw/zinc/24/15/60/411241560.db2.gz WIMPXAPNIWZHDN-JTQLQIEISA-N 1 2 224.308 0.708 20 0 BCADLO Cn1cnc(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000660002650 411167004 /nfs/dbraw/zinc/16/70/04/411167004.db2.gz JYRFIHVWEFQZIN-LLVKDONJSA-N 1 2 241.360 0.720 20 0 BCADLO Cn1cnc(C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000660002650 411167007 /nfs/dbraw/zinc/16/70/07/411167007.db2.gz JYRFIHVWEFQZIN-LLVKDONJSA-N 1 2 241.360 0.720 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)nc1 ZINC000050710104 411265602 /nfs/dbraw/zinc/26/56/02/411265602.db2.gz WAZLLYIQIXIZJE-SECBINFHSA-N 1 2 245.286 0.679 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655712298 411266699 /nfs/dbraw/zinc/26/66/99/411266699.db2.gz IPXKORRZERCZFV-UHFFFAOYSA-N 1 2 236.319 0.397 20 0 BCADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@H]2CCCO2)n1 ZINC000658159046 411272621 /nfs/dbraw/zinc/27/26/21/411272621.db2.gz MUUOJSBYKXZMBN-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO COCc1nnc(C[NH2+][C@@H](C)[C@H]2CCCO2)[nH]1 ZINC000658159046 411272622 /nfs/dbraw/zinc/27/26/22/411272622.db2.gz MUUOJSBYKXZMBN-DTWKUNHWSA-N 1 2 240.307 0.608 20 0 BCADLO c1cn(Cc2cn(C[C@H]3CCOC3)nn2)c[nH+]1 ZINC000656450201 411272699 /nfs/dbraw/zinc/27/26/99/411272699.db2.gz ZRPXWVRMHOGYBP-SNVBAGLBSA-N 1 2 233.275 0.559 20 0 BCADLO CCOC[C@@H](C)[NH2+]Cc1nc(COC)n[nH]1 ZINC000658159883 411273080 /nfs/dbraw/zinc/27/30/80/411273080.db2.gz SVOGPYZQLGBUGW-MRVPVSSYSA-N 1 2 228.296 0.466 20 0 BCADLO CCOC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159883 411273081 /nfs/dbraw/zinc/27/30/81/411273081.db2.gz SVOGPYZQLGBUGW-MRVPVSSYSA-N 1 2 228.296 0.466 20 0 BCADLO Cc1nc(C[N@@H+](C)CCNC(=O)N(C)C)co1 ZINC000660165649 411274450 /nfs/dbraw/zinc/27/44/50/411274450.db2.gz MCTRMQZGXAJWOS-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1nc(C[N@H+](C)CCNC(=O)N(C)C)co1 ZINC000660165649 411274453 /nfs/dbraw/zinc/27/44/53/411274453.db2.gz MCTRMQZGXAJWOS-UHFFFAOYSA-N 1 2 240.307 0.686 20 0 BCADLO Cc1nc(NCCOCC2CCC2)nc(N)[nH+]1 ZINC000631208077 411276543 /nfs/dbraw/zinc/27/65/43/411276543.db2.gz ZSUCEBSVCOVRKU-UHFFFAOYSA-N 1 2 237.307 0.413 20 0 BCADLO Cc1nc(N)nc(NCCOCC2CCC2)[nH+]1 ZINC000631208077 411276545 /nfs/dbraw/zinc/27/65/45/411276545.db2.gz ZSUCEBSVCOVRKU-UHFFFAOYSA-N 1 2 237.307 0.413 20 0 BCADLO Cc1cc(-n2cc(Cn3cc[nH+]c3)nn2)n(C)n1 ZINC000656465775 411278713 /nfs/dbraw/zinc/27/87/13/411278713.db2.gz JXGBVHIXMHCLFX-UHFFFAOYSA-N 1 2 243.274 0.554 20 0 BCADLO O=C(N=c1cccn[nH]1)NCCC1CC[NH2+]CC1 ZINC000652582991 411281365 /nfs/dbraw/zinc/28/13/65/411281365.db2.gz JLNOCCYOJADYGW-UHFFFAOYSA-N 1 2 249.318 0.410 20 0 BCADLO Cc1nc(N2CCS[C@H](C)CC2)nc(N)[nH+]1 ZINC000380348973 411283055 /nfs/dbraw/zinc/28/30/55/411283055.db2.gz XAVLAONVXQRPAY-SSDOTTSWSA-N 1 2 239.348 1.094 20 0 BCADLO Cc1nc(N)nc(N2CCS[C@H](C)CC2)[nH+]1 ZINC000380348973 411283056 /nfs/dbraw/zinc/28/30/56/411283056.db2.gz XAVLAONVXQRPAY-SSDOTTSWSA-N 1 2 239.348 1.094 20 0 BCADLO Cc1nc(N[C@@H](CO)C2CCC2)nc(N)[nH+]1 ZINC000631350914 411283387 /nfs/dbraw/zinc/28/33/87/411283387.db2.gz HVXSPUQZEPBKKC-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N)nc(N[C@@H](CO)C2CCC2)[nH+]1 ZINC000631350914 411283390 /nfs/dbraw/zinc/28/33/90/411283390.db2.gz HVXSPUQZEPBKKC-QMMMGPOBSA-N 1 2 223.280 0.335 20 0 BCADLO Cc1nc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc(N)[nH+]1 ZINC000384664227 411285566 /nfs/dbraw/zinc/28/55/66/411285566.db2.gz WOTGFZWMZMFAJZ-GKROBHDKSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1nc(N)nc(N[C@@H]2C[C@@H](C)O[C@H]2C)[nH+]1 ZINC000384664227 411285569 /nfs/dbraw/zinc/28/55/69/411285569.db2.gz WOTGFZWMZMFAJZ-GKROBHDKSA-N 1 2 223.280 0.740 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000631236380 411285920 /nfs/dbraw/zinc/28/59/20/411285920.db2.gz NVMMAYSCTYACCD-FXQIFTODSA-N 1 2 237.307 0.764 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)[nH+]1 ZINC000631236380 411285924 /nfs/dbraw/zinc/28/59/24/411285924.db2.gz NVMMAYSCTYACCD-FXQIFTODSA-N 1 2 237.307 0.764 20 0 BCADLO C[C@H](NC(=O)NC1CC1)c1[nH+]ccn1C ZINC000660206739 411297841 /nfs/dbraw/zinc/29/78/41/411297841.db2.gz OOPNJYZAONSVCR-ZETCQYMHSA-N 1 2 208.265 0.943 20 0 BCADLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCOCC1 ZINC000659812953 411299867 /nfs/dbraw/zinc/29/98/67/411299867.db2.gz CVFAJMBRYRLHHH-UTUOFQBUSA-N 1 2 238.331 0.766 20 0 BCADLO CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000659814658 411301551 /nfs/dbraw/zinc/30/15/51/411301551.db2.gz URHIYGILAUMBQE-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000659814658 411301556 /nfs/dbraw/zinc/30/15/56/411301556.db2.gz URHIYGILAUMBQE-AXFHLTTASA-N 1 2 226.320 0.716 20 0 BCADLO CCOCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660246569 411305142 /nfs/dbraw/zinc/30/51/42/411305142.db2.gz JFWGKRBCUUFGLH-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO CCOCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660246569 411305144 /nfs/dbraw/zinc/30/51/44/411305144.db2.gz JFWGKRBCUUFGLH-UHFFFAOYSA-N 1 2 240.307 0.978 20 0 BCADLO CC(=O)NC1CN(Cc2c[nH+]c3ccccn23)C1 ZINC000656621204 411310929 /nfs/dbraw/zinc/31/09/29/411310929.db2.gz DHCWKEPRHGEAHJ-UHFFFAOYSA-N 1 2 244.298 0.655 20 0 BCADLO COC1C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000656654648 411317177 /nfs/dbraw/zinc/31/71/77/411317177.db2.gz OBKCTRZAQJFBCZ-UHFFFAOYSA-N 1 2 218.260 0.740 20 0 BCADLO O[C@]1(C[NH+]2CC(OC(F)F)C2)CCCOC1 ZINC000656699626 411323902 /nfs/dbraw/zinc/32/39/02/411323902.db2.gz MQYNLIHENCLKSY-JTQLQIEISA-N 1 2 237.246 0.451 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)nc(C)n1 ZINC000660132881 411251456 /nfs/dbraw/zinc/25/14/56/411251456.db2.gz FORLLOUNIJBMAG-LLVKDONJSA-N 1 2 234.303 0.414 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)nc(C)n1 ZINC000660132881 411251460 /nfs/dbraw/zinc/25/14/60/411251460.db2.gz FORLLOUNIJBMAG-LLVKDONJSA-N 1 2 234.303 0.414 20 0 BCADLO COCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656443747 411252422 /nfs/dbraw/zinc/25/24/22/411252422.db2.gz AXGPQOKGZBEXDF-UHFFFAOYSA-N 1 2 242.348 0.473 20 0 BCADLO C[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCNC1=O ZINC000660134812 411253188 /nfs/dbraw/zinc/25/31/88/411253188.db2.gz SVSSNXRQMZHFLG-NSHDSACASA-N 1 2 235.287 0.872 20 0 BCADLO C[N@@H+](Cc1cc(C2CC2)no1)[C@H]1CCNC1=O ZINC000660134812 411253190 /nfs/dbraw/zinc/25/31/90/411253190.db2.gz SVSSNXRQMZHFLG-NSHDSACASA-N 1 2 235.287 0.872 20 0 BCADLO c1nc(Cn2cc(C[NH+]3CCCCC3)nn2)no1 ZINC000656446707 411254831 /nfs/dbraw/zinc/25/48/31/411254831.db2.gz YRZJDGBRHPXKRA-UHFFFAOYSA-N 1 2 248.290 0.695 20 0 BCADLO C[C@@H](Nc1nccn(C)c1=O)c1[nH]cc[nH+]1 ZINC000125262345 411357113 /nfs/dbraw/zinc/35/71/13/411357113.db2.gz LVTZUNRQBBLSDF-SSDOTTSWSA-N 1 2 219.248 0.677 20 0 BCADLO Cn1c[nH+]c(CN2CCOCC23CC3)c1 ZINC000660489025 411336237 /nfs/dbraw/zinc/33/62/37/411336237.db2.gz KUTDXSCQWCXSBH-UHFFFAOYSA-N 1 2 207.277 0.785 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)NCC(F)F ZINC000656711650 411336683 /nfs/dbraw/zinc/33/66/83/411336683.db2.gz NRNKOLUDPRLKKH-UHFFFAOYSA-N 1 2 232.234 0.827 20 0 BCADLO OCc1nnn2c1C[N@H+](CC1CC=CC1)CC2 ZINC000660589085 411342817 /nfs/dbraw/zinc/34/28/17/411342817.db2.gz DRIYVMZOFLZONN-UHFFFAOYSA-N 1 2 234.303 0.552 20 0 BCADLO OCc1nnn2c1C[N@@H+](CC1CC=CC1)CC2 ZINC000660589085 411342820 /nfs/dbraw/zinc/34/28/20/411342820.db2.gz DRIYVMZOFLZONN-UHFFFAOYSA-N 1 2 234.303 0.552 20 0 BCADLO O=C([O-])C12CC(C1)C[N@@H+]2CCn1cc[nH+]c1 ZINC000656760941 411345743 /nfs/dbraw/zinc/34/57/43/411345743.db2.gz MJPKTSLYZHPMAD-UHFFFAOYSA-N 1 2 221.260 0.432 20 0 BCADLO O=C([O-])C12CC(C1)C[N@H+]2CCn1cc[nH+]c1 ZINC000656760941 411345746 /nfs/dbraw/zinc/34/57/46/411345746.db2.gz MJPKTSLYZHPMAD-UHFFFAOYSA-N 1 2 221.260 0.432 20 0 BCADLO CC1(CNC(=O)CCn2cc[nH+]c2)OCCO1 ZINC000270736270 168030325 /nfs/dbraw/zinc/03/03/25/168030325.db2.gz AJRJECJFWYITKT-UHFFFAOYSA-N 1 2 239.275 0.152 20 0 BCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000654365725 411377490 /nfs/dbraw/zinc/37/74/90/411377490.db2.gz YBMNFRWILIIFAY-UHFFFAOYSA-N 1 2 224.260 0.676 20 0 BCADLO CC1=CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000280797364 168099112 /nfs/dbraw/zinc/09/91/12/168099112.db2.gz KEGOVLUAJZBEON-UHFFFAOYSA-N 1 2 248.334 0.672 20 0 BCADLO CC1=CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000280797364 168099113 /nfs/dbraw/zinc/09/91/13/168099113.db2.gz KEGOVLUAJZBEON-UHFFFAOYSA-N 1 2 248.334 0.672 20 0 BCADLO CC1CC(NC(=O)NCCn2cc[nH+]c2)C1 ZINC000267737363 168141692 /nfs/dbraw/zinc/14/16/92/168141692.db2.gz WJIZZISBBVWILV-UHFFFAOYSA-N 1 2 222.292 0.981 20 0 BCADLO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)on1 ZINC000659944836 411389105 /nfs/dbraw/zinc/38/91/05/411389105.db2.gz PGTXEPDGXHESOT-SECBINFHSA-N 1 2 239.275 0.346 20 0 BCADLO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)on1 ZINC000659944836 411389108 /nfs/dbraw/zinc/38/91/08/411389108.db2.gz PGTXEPDGXHESOT-SECBINFHSA-N 1 2 239.275 0.346 20 0 BCADLO CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111215597 168221751 /nfs/dbraw/zinc/22/17/51/168221751.db2.gz SEKYHBODPLCKCQ-UHFFFAOYSA-N 1 2 222.292 0.464 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000134155401 168238194 /nfs/dbraw/zinc/23/81/94/168238194.db2.gz AVMUSWGEHMTMMU-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000134155401 168238197 /nfs/dbraw/zinc/23/81/97/168238197.db2.gz AVMUSWGEHMTMMU-VHSXEESVSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000330740691 168240456 /nfs/dbraw/zinc/24/04/56/168240456.db2.gz AVMUSWGEHMTMMU-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000330740691 168240457 /nfs/dbraw/zinc/24/04/57/168240457.db2.gz AVMUSWGEHMTMMU-ZJUUUORDSA-N 1 2 242.319 0.539 20 0 BCADLO CCc1cc(NCC[C@@]2(O)CCOC2)nc[nH+]1 ZINC000404217496 411384476 /nfs/dbraw/zinc/38/44/76/411384476.db2.gz YATUJIXTFIHIPC-GFCCVEGCSA-N 1 2 237.303 0.414 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)nc(C)n1 ZINC000660491110 411386947 /nfs/dbraw/zinc/38/69/47/411386947.db2.gz FABDXUYQVFZMLA-LBPRGKRZSA-N 1 2 239.294 1.000 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)nc(C)n1 ZINC000660491110 411386950 /nfs/dbraw/zinc/38/69/50/411386950.db2.gz FABDXUYQVFZMLA-LBPRGKRZSA-N 1 2 239.294 1.000 20 0 BCADLO COC[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000659952027 411394438 /nfs/dbraw/zinc/39/44/38/411394438.db2.gz KXVWWRBHOUQMOH-NSHDSACASA-N 1 2 225.292 0.267 20 0 BCADLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccon1 ZINC000055371521 411397483 /nfs/dbraw/zinc/39/74/83/411397483.db2.gz TZDAZRVBSRHLAE-MRVPVSSYSA-N 1 2 225.248 0.070 20 0 BCADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccon1 ZINC000055371521 411397486 /nfs/dbraw/zinc/39/74/86/411397486.db2.gz TZDAZRVBSRHLAE-MRVPVSSYSA-N 1 2 225.248 0.070 20 0 BCADLO CCN(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000657094011 411405634 /nfs/dbraw/zinc/40/56/34/411405634.db2.gz YLLAFLXSKHPNCL-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO CCN(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000657094011 411405636 /nfs/dbraw/zinc/40/56/36/411405636.db2.gz YLLAFLXSKHPNCL-MNOVXSKESA-N 1 2 243.351 0.757 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(CO)CC1 ZINC000654897525 411461607 /nfs/dbraw/zinc/46/16/07/411461607.db2.gz VODAGIGXTBSVAJ-SECBINFHSA-N 1 2 237.303 0.477 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(CO)CC1 ZINC000654897525 411461610 /nfs/dbraw/zinc/46/16/10/411461610.db2.gz VODAGIGXTBSVAJ-SECBINFHSA-N 1 2 237.303 0.477 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc[nH]n1 ZINC000654636364 411420888 /nfs/dbraw/zinc/42/08/88/411420888.db2.gz YZFKPZOIFHXOPC-ZETCQYMHSA-N 1 2 219.248 0.950 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc[nH]n1 ZINC000654636364 411420891 /nfs/dbraw/zinc/42/08/91/411420891.db2.gz YZFKPZOIFHXOPC-ZETCQYMHSA-N 1 2 219.248 0.950 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOC)n1 ZINC000268205560 411422151 /nfs/dbraw/zinc/42/21/51/411422151.db2.gz IVWKKOANVSJONU-UHFFFAOYSA-N 1 2 225.292 0.823 20 0 BCADLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOC)n1 ZINC000268205560 411422155 /nfs/dbraw/zinc/42/21/55/411422155.db2.gz IVWKKOANVSJONU-UHFFFAOYSA-N 1 2 225.292 0.823 20 0 BCADLO CN(C)C(=O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000653588509 411429362 /nfs/dbraw/zinc/42/93/62/411429362.db2.gz ZPNFRTACCVEDRW-UHFFFAOYSA-N 1 2 236.319 0.636 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654911148 411463007 /nfs/dbraw/zinc/46/30/07/411463007.db2.gz MUDVAUQPAUZNQJ-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654911148 411463011 /nfs/dbraw/zinc/46/30/11/411463011.db2.gz MUDVAUQPAUZNQJ-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000488388996 411437732 /nfs/dbraw/zinc/43/77/32/411437732.db2.gz LEVPQYPWWBGCOQ-BBBLOLIVSA-N 1 2 249.318 0.400 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(N(C)C)[nH+]1 ZINC000488388996 411437735 /nfs/dbraw/zinc/43/77/35/411437735.db2.gz LEVPQYPWWBGCOQ-BBBLOLIVSA-N 1 2 249.318 0.400 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654911151 411463464 /nfs/dbraw/zinc/46/34/64/411463464.db2.gz MUDVAUQPAUZNQJ-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654911151 411463466 /nfs/dbraw/zinc/46/34/66/411463466.db2.gz MUDVAUQPAUZNQJ-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCOC1 ZINC000654757009 411440201 /nfs/dbraw/zinc/44/02/01/411440201.db2.gz RIDVQYDIXZUONV-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCOC1 ZINC000654757009 411440206 /nfs/dbraw/zinc/44/02/06/411440206.db2.gz RIDVQYDIXZUONV-KOLCDFICSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCOC1 ZINC000654757011 411440275 /nfs/dbraw/zinc/44/02/75/411440275.db2.gz RIDVQYDIXZUONV-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCOC1 ZINC000654757011 411440279 /nfs/dbraw/zinc/44/02/79/411440279.db2.gz RIDVQYDIXZUONV-ONGXEEELSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc[nH]n1 ZINC000654774052 411443511 /nfs/dbraw/zinc/44/35/11/411443511.db2.gz TUMXZYKTDKZWAJ-SECBINFHSA-N 1 2 247.302 0.970 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc[nH]n1 ZINC000654774052 411443517 /nfs/dbraw/zinc/44/35/17/411443517.db2.gz TUMXZYKTDKZWAJ-SECBINFHSA-N 1 2 247.302 0.970 20 0 BCADLO COC[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000660376371 411445653 /nfs/dbraw/zinc/44/56/53/411445653.db2.gz MWRHIXHOIUPWNG-ZYHUDNBSSA-N 1 2 239.319 0.656 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000279287856 411447416 /nfs/dbraw/zinc/44/74/16/411447416.db2.gz YITIKSOYDLVLGF-LLVKDONJSA-N 1 2 249.314 0.980 20 0 BCADLO COC(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000584585309 411449384 /nfs/dbraw/zinc/44/93/84/411449384.db2.gz SLESXPWBAGJASF-UHFFFAOYSA-N 1 2 235.243 0.556 20 0 BCADLO Cc1c[nH]c(C[NH2+]CC(=O)NC(C)C)n1 ZINC000657295001 411454040 /nfs/dbraw/zinc/45/40/40/411454040.db2.gz ZRTVKHHNCFIYNE-UHFFFAOYSA-N 1 2 210.281 0.332 20 0 BCADLO CCc1nnc([C@@H](C)[NH+]2CCC(O)CC2)[nH]1 ZINC000659832939 411467527 /nfs/dbraw/zinc/46/75/27/411467527.db2.gz FEQHQZPSIOJCOS-MRVPVSSYSA-N 1 2 224.308 0.885 20 0 BCADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)nc(C)n1 ZINC000659832294 411467986 /nfs/dbraw/zinc/46/79/86/411467986.db2.gz ZQPRNMWKYMNWBQ-UHFFFAOYSA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)nc(C)n1 ZINC000659832294 411467988 /nfs/dbraw/zinc/46/79/88/411467988.db2.gz ZQPRNMWKYMNWBQ-UHFFFAOYSA-N 1 2 248.330 0.804 20 0 BCADLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C(C)(C)O ZINC000657342153 411469375 /nfs/dbraw/zinc/46/93/75/411469375.db2.gz IDEVSVSICADAIM-QMMMGPOBSA-N 1 2 241.339 0.677 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)C1 ZINC000654996382 411472510 /nfs/dbraw/zinc/47/25/10/411472510.db2.gz RVNIDENHYSSUBW-ZETCQYMHSA-N 1 2 211.240 0.769 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(F)C1 ZINC000654996382 411472514 /nfs/dbraw/zinc/47/25/14/411472514.db2.gz RVNIDENHYSSUBW-ZETCQYMHSA-N 1 2 211.240 0.769 20 0 BCADLO COCC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000659848850 411475945 /nfs/dbraw/zinc/47/59/45/411475945.db2.gz IYGPZCNJJKXAIK-UHFFFAOYSA-N 1 2 248.304 0.005 20 0 BCADLO COCC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000659848850 411475947 /nfs/dbraw/zinc/47/59/47/411475947.db2.gz IYGPZCNJJKXAIK-UHFFFAOYSA-N 1 2 248.304 0.005 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000655009077 411476153 /nfs/dbraw/zinc/47/61/53/411476153.db2.gz AGIMREQNDSNKDL-ONGXEEELSA-N 1 2 249.314 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000655009077 411476156 /nfs/dbraw/zinc/47/61/56/411476156.db2.gz AGIMREQNDSNKDL-ONGXEEELSA-N 1 2 249.314 0.572 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H]2CCN(C(C)C)C2=O)n1 ZINC000657361666 411478559 /nfs/dbraw/zinc/47/85/59/411478559.db2.gz HTCXBDCVJMNKOD-SNVBAGLBSA-N 1 2 236.319 0.817 20 0 BCADLO CCC[C@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657358505 411479298 /nfs/dbraw/zinc/47/92/98/411479298.db2.gz DXPVJJLMPGEWIS-VIFPVBQESA-N 1 2 241.339 0.679 20 0 BCADLO COc1cc(C[N@@H+]2CCCOCC2)on1 ZINC000659859444 411481175 /nfs/dbraw/zinc/48/11/75/411481175.db2.gz IWZUYLPAQSAIPX-UHFFFAOYSA-N 1 2 212.249 0.906 20 0 BCADLO COc1cc(C[N@H+]2CCCOCC2)on1 ZINC000659859444 411481176 /nfs/dbraw/zinc/48/11/76/411481176.db2.gz IWZUYLPAQSAIPX-UHFFFAOYSA-N 1 2 212.249 0.906 20 0 BCADLO CCO[C@H]1C[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655034297 411481950 /nfs/dbraw/zinc/48/19/50/411481950.db2.gz ULZFZJKPPALQDA-UWVGGRQHSA-N 1 2 226.320 0.622 20 0 BCADLO CN1CC[C@]([NH3+])(C(=O)NCC2(C(F)F)CC2)C1 ZINC000638720697 411491564 /nfs/dbraw/zinc/49/15/64/411491564.db2.gz LJDPDYQKXWPMIV-LLVKDONJSA-N 1 2 247.289 0.181 20 0 BCADLO CC(C)n1ccnc1C[NH2+]CCc1nc[nH]n1 ZINC000657390874 411491527 /nfs/dbraw/zinc/49/15/27/411491527.db2.gz JWSGOBPRMJYYHA-UHFFFAOYSA-N 1 2 234.307 0.914 20 0 BCADLO COCC1([NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657399285 411494807 /nfs/dbraw/zinc/49/48/07/411494807.db2.gz SBWBEMRCIWEKPA-UHFFFAOYSA-N 1 2 239.323 0.697 20 0 BCADLO Cc1c[nH]c(CN[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000657402832 411496512 /nfs/dbraw/zinc/49/65/12/411496512.db2.gz JUAKSKLUULIYBI-MNOVXSKESA-N 1 2 238.335 0.527 20 0 BCADLO Cc1c[nH]c(CN[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000657402832 411496514 /nfs/dbraw/zinc/49/65/14/411496514.db2.gz JUAKSKLUULIYBI-MNOVXSKESA-N 1 2 238.335 0.527 20 0 BCADLO Cc1nc(C[N@H+](CCO)CCCO)c(C)o1 ZINC000659913947 411496747 /nfs/dbraw/zinc/49/67/47/411496747.db2.gz FOAOCNMJCQMLNX-UHFFFAOYSA-N 1 2 228.292 0.468 20 0 BCADLO Cc1nc(C[N@@H+](CCO)CCCO)c(C)o1 ZINC000659913947 411496749 /nfs/dbraw/zinc/49/67/49/411496749.db2.gz FOAOCNMJCQMLNX-UHFFFAOYSA-N 1 2 228.292 0.468 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655119986 411497931 /nfs/dbraw/zinc/49/79/31/411497931.db2.gz FJAKQCZEWCCLBN-KOLCDFICSA-N 1 2 239.319 0.818 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655119986 411497932 /nfs/dbraw/zinc/49/79/32/411497932.db2.gz FJAKQCZEWCCLBN-KOLCDFICSA-N 1 2 239.319 0.818 20 0 BCADLO Cc1c[nH]c(C[NH2+]Cc2ccnc(N(C)C)n2)n1 ZINC000657428015 411503691 /nfs/dbraw/zinc/50/36/91/411503691.db2.gz VPPFHQWSDUCCEO-UHFFFAOYSA-N 1 2 246.318 0.864 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000659943177 411505353 /nfs/dbraw/zinc/50/53/53/411505353.db2.gz JCRIWMSGTUGOHU-RYUDHWBXSA-N 1 2 238.335 0.973 20 0 BCADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000659943177 411505354 /nfs/dbraw/zinc/50/53/54/411505354.db2.gz JCRIWMSGTUGOHU-RYUDHWBXSA-N 1 2 238.335 0.973 20 0 BCADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)nc(C)n1 ZINC000659942949 411505670 /nfs/dbraw/zinc/50/56/70/411505670.db2.gz GUSLYKFBKXDQOZ-GFCCVEGCSA-N 1 2 248.330 0.756 20 0 BCADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)nc(C)n1 ZINC000659942949 411505672 /nfs/dbraw/zinc/50/56/72/411505672.db2.gz GUSLYKFBKXDQOZ-GFCCVEGCSA-N 1 2 248.330 0.756 20 0 BCADLO CC[C@@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000659942005 411506346 /nfs/dbraw/zinc/50/63/46/411506346.db2.gz GSJXIKKVWUPXEH-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CCO ZINC000655167797 411509607 /nfs/dbraw/zinc/50/96/07/411509607.db2.gz UYJFEQVARRGASW-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CCO ZINC000655167797 411509610 /nfs/dbraw/zinc/50/96/10/411509610.db2.gz UYJFEQVARRGASW-UWVGGRQHSA-N 1 2 239.319 0.818 20 0 BCADLO C[C@@H]1CS(=O)(=O)CCN1Cc1cn(C)c[nH+]1 ZINC000659951889 411509925 /nfs/dbraw/zinc/50/99/25/411509925.db2.gz OGFGHKVOBZUZBO-SECBINFHSA-N 1 2 243.332 0.039 20 0 BCADLO CCN1OC[C@@H]([N@H+]2C[C@@H](C)S[C@@H](C)C2)C1=O ZINC000659959688 411512142 /nfs/dbraw/zinc/51/21/42/411512142.db2.gz HZAUVXMLSJSLLI-KXUCPTDWSA-N 1 2 244.360 0.975 20 0 BCADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1=O ZINC000659959688 411512144 /nfs/dbraw/zinc/51/21/44/411512144.db2.gz HZAUVXMLSJSLLI-KXUCPTDWSA-N 1 2 244.360 0.975 20 0 BCADLO CC(C)(C)n1nnc(C[NH2+]CCCCO)n1 ZINC000657451190 411512615 /nfs/dbraw/zinc/51/26/15/411512615.db2.gz JLROHMWSYODTIK-UHFFFAOYSA-N 1 2 227.312 0.290 20 0 BCADLO CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000659969010 411514069 /nfs/dbraw/zinc/51/40/69/411514069.db2.gz DVUUGUBDQASLEK-AXFHLTTASA-N 1 2 224.304 0.470 20 0 BCADLO CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000659969010 411514071 /nfs/dbraw/zinc/51/40/71/411514071.db2.gz DVUUGUBDQASLEK-AXFHLTTASA-N 1 2 224.304 0.470 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660442971 411514788 /nfs/dbraw/zinc/51/47/88/411514788.db2.gz ZTJVXYIBFOFFJS-PWSUYJOCSA-N 1 2 238.335 0.973 20 0 BCADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660442971 411514791 /nfs/dbraw/zinc/51/47/91/411514791.db2.gz ZTJVXYIBFOFFJS-PWSUYJOCSA-N 1 2 238.335 0.973 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(C)o1 ZINC000659977527 411516661 /nfs/dbraw/zinc/51/66/61/411516661.db2.gz REHXPMWDJWDOKW-AOOOYVTPSA-N 1 2 226.276 0.219 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(C)o1 ZINC000659977527 411516663 /nfs/dbraw/zinc/51/66/63/411516663.db2.gz REHXPMWDJWDOKW-AOOOYVTPSA-N 1 2 226.276 0.219 20 0 BCADLO CC[NH+]1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000082304346 169986555 /nfs/dbraw/zinc/98/65/55/169986555.db2.gz FFBAGYJYURHFSJ-UHFFFAOYSA-N 1 2 249.314 0.461 20 0 BCADLO C[C@H]1CO[C@H](CO)CN1Cc1cn(C)c[nH+]1 ZINC000660008618 411527684 /nfs/dbraw/zinc/52/76/84/411527684.db2.gz DJBNCPABRJNKHO-ONGXEEELSA-N 1 2 225.292 0.002 20 0 BCADLO CCN1CC[C@@H]([NH+]2CCN(CC)CC2)C1=O ZINC000659827276 411465521 /nfs/dbraw/zinc/46/55/21/411465521.db2.gz PBAMLYDLFNWTPU-LLVKDONJSA-N 1 2 225.336 0.245 20 0 BCADLO CCN1CCOC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000378441563 170001372 /nfs/dbraw/zinc/00/13/72/170001372.db2.gz HTZMIMNGNSDGDU-GFCCVEGCSA-N 1 2 249.314 0.471 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCC1CC1 ZINC000362241584 170001740 /nfs/dbraw/zinc/00/17/40/170001740.db2.gz YCXDQHZEISFFPR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCC1CC1 ZINC000362241584 170001741 /nfs/dbraw/zinc/00/17/41/170001741.db2.gz YCXDQHZEISFFPR-LBPRGKRZSA-N 1 2 240.347 0.966 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@H]1C ZINC000357469958 170001785 /nfs/dbraw/zinc/00/17/85/170001785.db2.gz DHIWPPDYRSTRQN-GARJFASQSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@H]1C ZINC000357469958 170001787 /nfs/dbraw/zinc/00/17/87/170001787.db2.gz DHIWPPDYRSTRQN-GARJFASQSA-N 1 2 226.320 0.574 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCSC ZINC000367746226 170002036 /nfs/dbraw/zinc/00/20/36/170002036.db2.gz FMIYICPTGNVUEK-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCSC ZINC000367746226 170002038 /nfs/dbraw/zinc/00/20/38/170002038.db2.gz FMIYICPTGNVUEK-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC(C)C)C1 ZINC000359795493 170004211 /nfs/dbraw/zinc/00/42/11/170004211.db2.gz HYFCBUFAENZBJO-SECBINFHSA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC(C)C)C1 ZINC000359795493 170004210 /nfs/dbraw/zinc/00/42/10/170004210.db2.gz HYFCBUFAENZBJO-SECBINFHSA-N 1 2 201.266 0.659 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ncn(C)n2)[C@@H](C)C1 ZINC000358393799 170034495 /nfs/dbraw/zinc/03/44/95/170034495.db2.gz ZXPKWPVYLFSHPD-QWRGUYRKSA-N 1 2 237.351 0.287 20 0 BCADLO CCN1CC[C@@H]([N@@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000660126679 411541389 /nfs/dbraw/zinc/54/13/89/411541389.db2.gz SYFIUBDKVLPALE-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CCN1CC[C@@H]([N@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000660126679 411541390 /nfs/dbraw/zinc/54/13/90/411541390.db2.gz SYFIUBDKVLPALE-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CCNC(=O)CC(=O)Nc1c[nH+]ccc1OC ZINC000357322292 170048349 /nfs/dbraw/zinc/04/83/49/170048349.db2.gz HBNKWIARIYRVOS-UHFFFAOYSA-N 1 2 237.259 0.555 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1conc1CC ZINC000293469907 170055469 /nfs/dbraw/zinc/05/54/69/170055469.db2.gz QWMDBRLHPPAZHK-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1conc1CC ZINC000293469907 170055470 /nfs/dbraw/zinc/05/54/70/170055470.db2.gz QWMDBRLHPPAZHK-UHFFFAOYSA-N 1 2 225.292 0.805 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1ccc(CO)o1 ZINC000119321239 170057350 /nfs/dbraw/zinc/05/73/50/170057350.db2.gz GGZRIWRZUDLPPC-UHFFFAOYSA-N 1 2 240.303 0.730 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(CO)o1 ZINC000119321239 170057351 /nfs/dbraw/zinc/05/73/51/170057351.db2.gz GGZRIWRZUDLPPC-UHFFFAOYSA-N 1 2 240.303 0.730 20 0 BCADLO CCNC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000268671772 170058266 /nfs/dbraw/zinc/05/82/66/170058266.db2.gz KGUVDFQBICRVBG-UHFFFAOYSA-N 1 2 237.303 0.012 20 0 BCADLO CCNC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000268671772 170058268 /nfs/dbraw/zinc/05/82/68/170058268.db2.gz KGUVDFQBICRVBG-UHFFFAOYSA-N 1 2 237.303 0.012 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367138524 170059575 /nfs/dbraw/zinc/05/95/75/170059575.db2.gz QCZRROJZGQTHSP-GFCCVEGCSA-N 1 2 242.319 0.004 20 0 BCADLO CCNC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373402282 170060203 /nfs/dbraw/zinc/06/02/03/170060203.db2.gz IDYWXGBZCVUUMA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373402282 170060205 /nfs/dbraw/zinc/06/02/05/170060205.db2.gz IDYWXGBZCVUUMA-PWSUYJOCSA-N 1 2 242.319 0.002 20 0 BCADLO CCNC(=O)C[NH2+]Cc1csc(C)n1 ZINC000035135962 170064289 /nfs/dbraw/zinc/06/42/89/170064289.db2.gz WFTCYTCUHOTUNI-UHFFFAOYSA-N 1 2 213.306 0.677 20 0 BCADLO COCC1(O)CC[NH+](Cc2coc(C)n2)CC1 ZINC000660131529 411543126 /nfs/dbraw/zinc/54/31/26/411543126.db2.gz LIARSJFQORUINP-UHFFFAOYSA-N 1 2 240.303 0.956 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000310196987 170088061 /nfs/dbraw/zinc/08/80/61/170088061.db2.gz GDMWHXSFWWKYHD-SECBINFHSA-N 1 2 239.323 0.473 20 0 BCADLO CCNC(=O)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936213 170097041 /nfs/dbraw/zinc/09/70/41/170097041.db2.gz WYVAODZKYMWJFZ-ZETCQYMHSA-N 1 2 208.265 0.722 20 0 BCADLO CCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660099509 411537437 /nfs/dbraw/zinc/53/74/37/411537437.db2.gz GVTZPNAECAVPFP-SSDOTTSWSA-N 1 2 217.294 0.420 20 0 BCADLO C[C@@H](NC(=O)N1CCOCC1)c1[nH+]ccn1C ZINC000660099553 411537508 /nfs/dbraw/zinc/53/75/08/411537508.db2.gz HGGASGIFMHWXOY-SECBINFHSA-N 1 2 238.291 0.523 20 0 BCADLO CC[NH2+]Cc1noc([C@H]2COCCO2)n1 ZINC000055305648 170132133 /nfs/dbraw/zinc/13/21/33/170132133.db2.gz DQLIAKINJGKWKG-SSDOTTSWSA-N 1 2 213.237 0.267 20 0 BCADLO CCNS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000295994425 170136517 /nfs/dbraw/zinc/13/65/17/170136517.db2.gz LTILWCWNIVOMTD-QMMMGPOBSA-N 1 2 246.336 0.551 20 0 BCADLO c1nn[nH]c1CC[NH+]1CCC2(CCOC2)CC1 ZINC000660144812 411545419 /nfs/dbraw/zinc/54/54/19/411545419.db2.gz JJGJNHCKPYFOGJ-UHFFFAOYSA-N 1 2 236.319 0.850 20 0 BCADLO CCC[C@@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000660154318 411547956 /nfs/dbraw/zinc/54/79/56/411547956.db2.gz KCQOSMAYNKYPAQ-LLVKDONJSA-N 1 2 236.319 0.521 20 0 BCADLO CCOC(=O)C(CC)(CC)[NH2+]CCO ZINC000308590919 170188224 /nfs/dbraw/zinc/18/82/24/170188224.db2.gz KJELHVSHGFNSMF-UHFFFAOYSA-N 1 2 203.282 0.690 20 0 BCADLO CCOC(=O)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339185723 170202460 /nfs/dbraw/zinc/20/24/60/170202460.db2.gz XAPKYXGRJLRFEH-UHFFFAOYSA-N 1 2 239.275 0.791 20 0 BCADLO CCOC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000376648994 170206863 /nfs/dbraw/zinc/20/68/63/170206863.db2.gz OMMOEBMTXLWGGT-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO CCOC(=O)CC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000376648994 170206864 /nfs/dbraw/zinc/20/68/64/170206864.db2.gz OMMOEBMTXLWGGT-QFYYESIMSA-N 1 2 247.360 0.783 20 0 BCADLO C[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)CS1(=O)=O ZINC000657639467 411566682 /nfs/dbraw/zinc/56/66/82/411566682.db2.gz SNGGTCAWRDUFMS-WCBMZHEXSA-N 1 2 243.332 0.465 20 0 BCADLO CCOC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000120208898 170213976 /nfs/dbraw/zinc/21/39/76/170213976.db2.gz YLSCVINPLDAFNZ-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000120208898 170213977 /nfs/dbraw/zinc/21/39/77/170213977.db2.gz YLSCVINPLDAFNZ-UHFFFAOYSA-N 1 2 228.292 0.279 20 0 BCADLO CCOC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000339291776 170214530 /nfs/dbraw/zinc/21/45/30/170214530.db2.gz UWVIIKVOWFNMBO-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000339291776 170214531 /nfs/dbraw/zinc/21/45/31/170214531.db2.gz UWVIIKVOWFNMBO-UHFFFAOYSA-N 1 2 228.292 0.104 20 0 BCADLO CCOC(=O)C[N@H+](C)CCc1cnccn1 ZINC000271341133 170214592 /nfs/dbraw/zinc/21/45/92/170214592.db2.gz NHCXWMPWIYRJHH-UHFFFAOYSA-N 1 2 223.276 0.514 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000271341133 170214593 /nfs/dbraw/zinc/21/45/93/170214593.db2.gz NHCXWMPWIYRJHH-UHFFFAOYSA-N 1 2 223.276 0.514 20 0 BCADLO CCOC(=O)CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337329700 170215013 /nfs/dbraw/zinc/21/50/13/170215013.db2.gz FIOOBJJYUFAQNM-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000337329700 170215014 /nfs/dbraw/zinc/21/50/14/170215014.db2.gz FIOOBJJYUFAQNM-NSHDSACASA-N 1 2 244.335 0.202 20 0 BCADLO CCOC(=O)C[N@H+](C)CCn1cccn1 ZINC000050066499 170215076 /nfs/dbraw/zinc/21/50/76/170215076.db2.gz AHBODNDDLNAJLK-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCn1cccn1 ZINC000050066499 170215077 /nfs/dbraw/zinc/21/50/77/170215077.db2.gz AHBODNDDLNAJLK-UHFFFAOYSA-N 1 2 211.265 0.378 20 0 BCADLO CCOC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC000342116565 170219649 /nfs/dbraw/zinc/21/96/49/170219649.db2.gz AIQAQOXHLGYTQM-UHFFFAOYSA-N 1 2 231.292 0.023 20 0 BCADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374541511 170219763 /nfs/dbraw/zinc/21/97/63/170219763.db2.gz OHOCVDAZUAMOLP-VIFPVBQESA-N 1 2 238.291 0.547 20 0 BCADLO CCOC(=O)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374541511 170219765 /nfs/dbraw/zinc/21/97/65/170219765.db2.gz OHOCVDAZUAMOLP-VIFPVBQESA-N 1 2 238.291 0.547 20 0 BCADLO CCOC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276890578 170221485 /nfs/dbraw/zinc/22/14/85/170221485.db2.gz GGEQGSPOWAIAPY-UHFFFAOYSA-N 1 2 236.271 0.708 20 0 BCADLO CCOC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276890578 170221487 /nfs/dbraw/zinc/22/14/87/170221487.db2.gz GGEQGSPOWAIAPY-UHFFFAOYSA-N 1 2 236.271 0.708 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000336907759 170225984 /nfs/dbraw/zinc/22/59/84/170225984.db2.gz ZDIURXZUIICPPU-MRVPVSSYSA-N 1 2 201.266 0.707 20 0 BCADLO CCOC(=O)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000309675729 170226109 /nfs/dbraw/zinc/22/61/09/170226109.db2.gz XRLBHAYDVYFNOW-SECBINFHSA-N 1 2 223.276 0.420 20 0 BCADLO CCOC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000308515673 170226668 /nfs/dbraw/zinc/22/66/68/170226668.db2.gz MQTQFVNFMAQPDU-QMMMGPOBSA-N 1 2 203.282 0.546 20 0 BCADLO CCOC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000330363542 170226991 /nfs/dbraw/zinc/22/69/91/170226991.db2.gz JJOPSWQQFBLQPG-GXSJLCMTSA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000309620160 170227011 /nfs/dbraw/zinc/22/70/11/170227011.db2.gz DXJWGVXZHSTKAQ-LLVKDONJSA-N 1 2 229.320 0.936 20 0 BCADLO CCOC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000336768184 170227016 /nfs/dbraw/zinc/22/70/16/170227016.db2.gz UAKYJCICFAICJD-SNVBAGLBSA-N 1 2 215.293 0.690 20 0 BCADLO CCOC(=O)COCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000352358124 170227764 /nfs/dbraw/zinc/22/77/64/170227764.db2.gz RULNIVJCEXCULO-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO CCOC(=O)COCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000352358124 170227766 /nfs/dbraw/zinc/22/77/66/170227766.db2.gz RULNIVJCEXCULO-VIFPVBQESA-N 1 2 247.291 0.059 20 0 BCADLO COC[C@H](C[N@@H+]1CCN(C(C)C)C(=O)C1)OC ZINC000660233723 411557077 /nfs/dbraw/zinc/55/70/77/411557077.db2.gz GBYWOEWPARMHBS-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO COC[C@H](C[N@H+]1CCN(C(C)C)C(=O)C1)OC ZINC000660233723 411557078 /nfs/dbraw/zinc/55/70/78/411557078.db2.gz GBYWOEWPARMHBS-NSHDSACASA-N 1 2 244.335 0.200 20 0 BCADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CCOC2)co1 ZINC000660238737 411557085 /nfs/dbraw/zinc/55/70/85/411557085.db2.gz MYXRGQJREVIIOF-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO Cc1nc(C[N@H+](C)[C@]2(CO)CCOC2)co1 ZINC000660238737 411557086 /nfs/dbraw/zinc/55/70/86/411557086.db2.gz MYXRGQJREVIIOF-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO CCOC(=O)NCCC(=O)NCc1[nH]cc[nH+]1 ZINC000114338257 170241880 /nfs/dbraw/zinc/24/18/80/170241880.db2.gz MFUKKGAHCBGMEB-UHFFFAOYSA-N 1 2 240.263 0.162 20 0 BCADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000295755717 170249272 /nfs/dbraw/zinc/24/92/72/170249272.db2.gz OJKSFLUGMYDUKZ-JGVFFNPUSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000295755717 170249274 /nfs/dbraw/zinc/24/92/74/170249274.db2.gz OJKSFLUGMYDUKZ-JGVFFNPUSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352666198 170249632 /nfs/dbraw/zinc/24/96/32/170249632.db2.gz GYRYPOZLOHDEBB-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352666198 170249633 /nfs/dbraw/zinc/24/96/33/170249633.db2.gz GYRYPOZLOHDEBB-ZJUUUORDSA-N 1 2 242.319 0.491 20 0 BCADLO CCOC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NC ZINC000363867740 170257389 /nfs/dbraw/zinc/25/73/89/170257389.db2.gz WYVLGIIVKINNKB-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NC ZINC000363867740 170257390 /nfs/dbraw/zinc/25/73/90/170257390.db2.gz WYVLGIIVKINNKB-JTQLQIEISA-N 1 2 242.319 0.540 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000330438019 170261126 /nfs/dbraw/zinc/26/11/26/170261126.db2.gz NLRLZPJSIWLSBE-CABZTGNLSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000330438019 170261127 /nfs/dbraw/zinc/26/11/27/170261127.db2.gz NLRLZPJSIWLSBE-CABZTGNLSA-N 1 2 243.303 0.211 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C ZINC000355036622 170265111 /nfs/dbraw/zinc/26/51/11/170265111.db2.gz XCIIKACAZUJDEG-VIFPVBQESA-N 1 2 245.323 0.141 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000355036622 170265113 /nfs/dbraw/zinc/26/51/13/170265113.db2.gz XCIIKACAZUJDEG-VIFPVBQESA-N 1 2 245.323 0.141 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](CCO)C1CC1 ZINC000043638838 170266369 /nfs/dbraw/zinc/26/63/69/170266369.db2.gz QJTRQSOWEIPUTL-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](CCO)C1CC1 ZINC000043638838 170266370 /nfs/dbraw/zinc/26/63/70/170266370.db2.gz QJTRQSOWEIPUTL-QMMMGPOBSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000041366700 170266568 /nfs/dbraw/zinc/26/65/68/170266568.db2.gz LMOBIQOTOCSPCP-QMMMGPOBSA-N 1 2 203.307 0.987 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338591663 170268794 /nfs/dbraw/zinc/26/87/94/170268794.db2.gz JMOUDMGKPXCEDP-DTWKUNHWSA-N 1 2 242.319 0.585 20 0 BCADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000295755713 170270128 /nfs/dbraw/zinc/27/01/28/170270128.db2.gz OJKSFLUGMYDUKZ-HTQZYQBOSA-N 1 2 226.280 0.482 20 0 BCADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000295755713 170270129 /nfs/dbraw/zinc/27/01/29/170270129.db2.gz OJKSFLUGMYDUKZ-HTQZYQBOSA-N 1 2 226.280 0.482 20 0 BCADLO COCc1n[nH]c(C[NH2+]CC2(F)CC2)n1 ZINC000657608989 411562719 /nfs/dbraw/zinc/56/27/19/411562719.db2.gz HKGHKDDOWGXNHV-UHFFFAOYSA-N 1 2 214.244 0.543 20 0 BCADLO CCOC(=O)[C@H]([NH2+]CCOC)[C@@H]1CCCOC1 ZINC000111322092 170277611 /nfs/dbraw/zinc/27/76/11/170277611.db2.gz LQUKISAFISPDQG-GHMZBOCLSA-N 1 2 245.319 0.581 20 0 BCADLO O=c1[nH]nc2n1CC[N@@H+](CCC1CCC1)C2 ZINC000660276382 411563860 /nfs/dbraw/zinc/56/38/60/411563860.db2.gz BSGOIKGBIUVUEC-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=c1[nH]nc2n1CC[N@H+](CCC1CCC1)C2 ZINC000660276382 411563863 /nfs/dbraw/zinc/56/38/63/411563863.db2.gz BSGOIKGBIUVUEC-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1N=NC2C[N@H+](CCC3CCC3)CCN12 ZINC000660276382 411563865 /nfs/dbraw/zinc/56/38/65/411563865.db2.gz BSGOIKGBIUVUEC-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO O=C1N=NC2C[N@@H+](CCC3CCC3)CCN12 ZINC000660276382 411563867 /nfs/dbraw/zinc/56/38/67/411563867.db2.gz BSGOIKGBIUVUEC-UHFFFAOYSA-N 1 2 222.292 0.990 20 0 BCADLO CCN1CC[N@@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660275707 411564303 /nfs/dbraw/zinc/56/43/03/411564303.db2.gz WQPZHTDIHCSYPS-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CCN1CC[N@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660275707 411564304 /nfs/dbraw/zinc/56/43/04/411564304.db2.gz WQPZHTDIHCSYPS-SNVBAGLBSA-N 1 2 226.320 0.718 20 0 BCADLO CCOC(=O)c1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000271049088 170295189 /nfs/dbraw/zinc/29/51/89/170295189.db2.gz OFIDDUDHZIRCOJ-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO CCOC(=O)c1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000271049088 170295190 /nfs/dbraw/zinc/29/51/90/170295190.db2.gz OFIDDUDHZIRCOJ-UHFFFAOYSA-N 1 2 240.259 0.373 20 0 BCADLO COC[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000660377961 411575961 /nfs/dbraw/zinc/57/59/61/411575961.db2.gz HJJDMZFZPYJWRR-KOLCDFICSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000660377961 411575963 /nfs/dbraw/zinc/57/59/63/411575963.db2.gz HJJDMZFZPYJWRR-KOLCDFICSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@@H](C)O1 ZINC000660377961 411575966 /nfs/dbraw/zinc/57/59/66/411575966.db2.gz HJJDMZFZPYJWRR-KOLCDFICSA-N 1 2 240.307 0.083 20 0 BCADLO COC[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@@H](C)O1 ZINC000660377961 411575967 /nfs/dbraw/zinc/57/59/67/411575967.db2.gz HJJDMZFZPYJWRR-KOLCDFICSA-N 1 2 240.307 0.083 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)co1 ZINC000660396125 411572924 /nfs/dbraw/zinc/57/29/24/411572924.db2.gz NNPGXLROWCITEX-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)co1 ZINC000660396125 411572925 /nfs/dbraw/zinc/57/29/25/411572925.db2.gz NNPGXLROWCITEX-ONGXEEELSA-N 1 2 226.276 0.158 20 0 BCADLO CCOC1CC(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000353501865 170321519 /nfs/dbraw/zinc/32/15/19/170321519.db2.gz OCHQKPJYJAPZCW-UHFFFAOYSA-N 1 2 237.303 0.884 20 0 BCADLO CCOC1CC([NH2+][C@@H](C(=O)OC)[C@H](C)O)C1 ZINC000309989167 170329662 /nfs/dbraw/zinc/32/96/62/170329662.db2.gz ZPYGNIZVERIGMM-AUXWQGHOSA-N 1 2 231.292 0.066 20 0 BCADLO CCOC1CC(O)(C[NH2+]Cc2ccn[nH]2)C1 ZINC000277637376 170329768 /nfs/dbraw/zinc/32/97/68/170329768.db2.gz DAUDOLVCJPNVFN-UHFFFAOYSA-N 1 2 225.292 0.429 20 0 BCADLO CCOC1C[NH+](Cc2c(C)cnn2C)C1 ZINC000297514013 170335880 /nfs/dbraw/zinc/33/58/80/170335880.db2.gz WBHYJMANUDEEKE-UHFFFAOYSA-N 1 2 209.293 0.949 20 0 BCADLO CCOC1C[NH+](Cc2ccc(CO)o2)C1 ZINC000297484398 170336861 /nfs/dbraw/zinc/33/68/61/170336861.db2.gz SOTOJHGEWKOWSE-UHFFFAOYSA-N 1 2 211.261 0.993 20 0 BCADLO CCOCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374362262 170341396 /nfs/dbraw/zinc/34/13/96/170341396.db2.gz DKIJRUHPOFLNLI-LBPRGKRZSA-N 1 2 249.314 0.591 20 0 BCADLO CCOCC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000282377042 170356494 /nfs/dbraw/zinc/35/64/94/170356494.db2.gz HUJPQKWKFKFGGW-UHFFFAOYSA-N 1 2 223.276 0.843 20 0 BCADLO CCOCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374718358 170359745 /nfs/dbraw/zinc/35/97/45/170359745.db2.gz SZRIUSXJLAIECI-UHFFFAOYSA-N 1 2 237.303 0.960 20 0 BCADLO CCOCCC(=O)NCCCn1cc[nH+]c1 ZINC000009974929 170360535 /nfs/dbraw/zinc/36/05/35/170360535.db2.gz JZAKESUBHQWKFY-UHFFFAOYSA-N 1 2 225.292 0.816 20 0 BCADLO C[C@H]1CC[C@H]([NH2+]Cc2cocn2)CS1(=O)=O ZINC000657640465 411569474 /nfs/dbraw/zinc/56/94/74/411569474.db2.gz XJUBQWGVAKEDGL-IUCAKERBSA-N 1 2 244.316 0.730 20 0 BCADLO Cc1c(NC[C@@H](C)O)nc[nH+]c1NC[C@@H](C)O ZINC000663315539 411623447 /nfs/dbraw/zinc/62/34/47/411623447.db2.gz LANNPKJEJMXIBB-HTQZYQBOSA-N 1 2 240.307 0.370 20 0 BCADLO CCOCC[N@H+](CC)Cc1nnnn1C1CC1 ZINC000107678290 170395862 /nfs/dbraw/zinc/39/58/62/170395862.db2.gz HZQAHVGXRSPVHD-UHFFFAOYSA-N 1 2 239.323 0.866 20 0 BCADLO CCOCC[N@@H+](CC)Cc1nnnn1C1CC1 ZINC000107678290 170395865 /nfs/dbraw/zinc/39/58/65/170395865.db2.gz HZQAHVGXRSPVHD-UHFFFAOYSA-N 1 2 239.323 0.866 20 0 BCADLO O=c1[nH]nc(C[N@H+](C2CC2)C2(CO)CCC2)[nH]1 ZINC000660773175 411624384 /nfs/dbraw/zinc/62/43/84/411624384.db2.gz QYPWGAKVUHWAAU-UHFFFAOYSA-N 1 2 238.291 0.390 20 0 BCADLO O=c1[nH]nc(C[N@@H+](C2CC2)C2(CO)CCC2)[nH]1 ZINC000660773175 411624387 /nfs/dbraw/zinc/62/43/87/411624387.db2.gz QYPWGAKVUHWAAU-UHFFFAOYSA-N 1 2 238.291 0.390 20 0 BCADLO C[C@@H](c1[nH+]ccn1C)N1C(=O)[C@H]2CCCN2C1=O ZINC000663327969 411626109 /nfs/dbraw/zinc/62/61/09/411626109.db2.gz MVMIDFGUDQRTLX-DTWKUNHWSA-N 1 2 248.286 0.908 20 0 BCADLO COC[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000584326989 411627117 /nfs/dbraw/zinc/62/71/17/411627117.db2.gz BCZICIXIVTUSEB-QMMMGPOBSA-N 1 2 239.323 0.940 20 0 BCADLO COC[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000584326989 411627118 /nfs/dbraw/zinc/62/71/18/411627118.db2.gz BCZICIXIVTUSEB-QMMMGPOBSA-N 1 2 239.323 0.940 20 0 BCADLO Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n[nH]1 ZINC000557541713 411633346 /nfs/dbraw/zinc/63/33/46/411633346.db2.gz XQKUCHIRQOZALE-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BCADLO CN(C)C(=O)C1([NH2+]Cc2cn(C)cn2)CC1 ZINC000660802390 411637303 /nfs/dbraw/zinc/63/73/03/411637303.db2.gz ZONUJISTGIEIBN-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660801490 411637448 /nfs/dbraw/zinc/63/74/48/411637448.db2.gz QIFSJDHIDUQEPM-MRVPVSSYSA-N 1 2 240.332 0.448 20 0 BCADLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660801490 411637453 /nfs/dbraw/zinc/63/74/53/411637453.db2.gz QIFSJDHIDUQEPM-MRVPVSSYSA-N 1 2 240.332 0.448 20 0 BCADLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)ncn1 ZINC000599885033 411647141 /nfs/dbraw/zinc/64/71/41/411647141.db2.gz UNNHMELELCFMPB-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)ncn1 ZINC000599885033 411647147 /nfs/dbraw/zinc/64/71/47/411647147.db2.gz UNNHMELELCFMPB-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CCNC(=O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000372949160 411641924 /nfs/dbraw/zinc/64/19/24/411641924.db2.gz HDUMKKYMMCDHEX-UHFFFAOYSA-N 1 2 245.286 0.815 20 0 BCADLO Cc1c(N[C@@H](C)CO)nc[nH+]c1N[C@@H](C)CO ZINC000663380094 411642760 /nfs/dbraw/zinc/64/27/60/411642760.db2.gz UILALGURMBYNLU-YUMQZZPRSA-N 1 2 240.307 0.370 20 0 BCADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCc1cnn[nH]1 ZINC000660810889 411643241 /nfs/dbraw/zinc/64/32/41/411643241.db2.gz GEFUUJPFOKKHIV-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCc1cnn[nH]1 ZINC000660810889 411643243 /nfs/dbraw/zinc/64/32/43/411643243.db2.gz GEFUUJPFOKKHIV-NXEZZACHSA-N 1 2 224.308 0.440 20 0 BCADLO COC[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000380334092 411643835 /nfs/dbraw/zinc/64/38/35/411643835.db2.gz PJXDUGLJVGLLSI-JTQLQIEISA-N 1 2 211.265 0.594 20 0 BCADLO Cc1cc(NCC(=O)NCC(F)F)nc[nH+]1 ZINC000336727849 411643944 /nfs/dbraw/zinc/64/39/44/411643944.db2.gz GVXTXHHDQNIZCY-UHFFFAOYSA-N 1 2 230.218 0.578 20 0 BCADLO Cc1cc(NCC2(CC(N)=O)CC2)nc[nH+]1 ZINC000420606688 411644915 /nfs/dbraw/zinc/64/49/15/411644915.db2.gz AGDGDASBECEORN-UHFFFAOYSA-N 1 2 220.276 0.853 20 0 BCADLO CCOCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660384505 411576675 /nfs/dbraw/zinc/57/66/75/411576675.db2.gz PTONWRVDJNYNAC-SECBINFHSA-N 1 2 240.307 0.817 20 0 BCADLO Nc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000660388282 411577138 /nfs/dbraw/zinc/57/71/38/411577138.db2.gz RLGFHOIYHNIKAG-UHFFFAOYSA-N 1 2 229.287 0.945 20 0 BCADLO Nc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000660388282 411577140 /nfs/dbraw/zinc/57/71/40/411577140.db2.gz RLGFHOIYHNIKAG-UHFFFAOYSA-N 1 2 229.287 0.945 20 0 BCADLO Cc1nc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)co1 ZINC000660457217 411587847 /nfs/dbraw/zinc/58/78/47/411587847.db2.gz KJTDULTXDJWULJ-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO Cc1nc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)co1 ZINC000660457217 411587848 /nfs/dbraw/zinc/58/78/48/411587848.db2.gz KJTDULTXDJWULJ-BXKDBHETSA-N 1 2 240.303 0.955 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3cn[nH]c3)C2)O1 ZINC000660463336 411589226 /nfs/dbraw/zinc/58/92/26/411589226.db2.gz AVNWKDOCBUSDAT-SECBINFHSA-N 1 2 249.274 0.878 20 0 BCADLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)O1 ZINC000660463336 411589227 /nfs/dbraw/zinc/58/92/27/411589227.db2.gz AVNWKDOCBUSDAT-SECBINFHSA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3cn[nH]c3)C2)o1 ZINC000660463336 411589228 /nfs/dbraw/zinc/58/92/28/411589228.db2.gz AVNWKDOCBUSDAT-SECBINFHSA-N 1 2 249.274 0.878 20 0 BCADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)o1 ZINC000660463336 411589229 /nfs/dbraw/zinc/58/92/29/411589229.db2.gz AVNWKDOCBUSDAT-SECBINFHSA-N 1 2 249.274 0.878 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CON(CC)C2=O)CCCO1 ZINC000660469002 411589983 /nfs/dbraw/zinc/58/99/83/411589983.db2.gz MLWWBPPLCBWGGY-MNOVXSKESA-N 1 2 242.319 0.650 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CON(CC)C2=O)CCCO1 ZINC000660469002 411589984 /nfs/dbraw/zinc/58/99/84/411589984.db2.gz MLWWBPPLCBWGGY-MNOVXSKESA-N 1 2 242.319 0.650 20 0 BCADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(C)o1 ZINC000660475570 411590435 /nfs/dbraw/zinc/59/04/35/411590435.db2.gz BRGZROFHHLQVPZ-CPCISQLKSA-N 1 2 237.303 0.906 20 0 BCADLO CCCNC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000660580731 411603105 /nfs/dbraw/zinc/60/31/05/411603105.db2.gz SUNZPUNAQLAFGQ-JTQLQIEISA-N 1 2 236.319 0.613 20 0 BCADLO Nc1ncccc1CN1CCn2c[nH+]cc2C1 ZINC000660583070 411603558 /nfs/dbraw/zinc/60/35/58/411603558.db2.gz GBFGYMHYFQSMRJ-UHFFFAOYSA-N 1 2 229.287 0.876 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660640220 411610864 /nfs/dbraw/zinc/61/08/64/411610864.db2.gz OBNLSWKIPGAUDJ-DTWKUNHWSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1cnccn1 ZINC000660640220 411610865 /nfs/dbraw/zinc/61/08/65/411610865.db2.gz OBNLSWKIPGAUDJ-DTWKUNHWSA-N 1 2 220.276 0.755 20 0 BCADLO C[C@@H]1C[N@H+](Cc2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000660639234 411610885 /nfs/dbraw/zinc/61/08/85/411610885.db2.gz HNRUDMTYTZBFIQ-HTQZYQBOSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000660639234 411610886 /nfs/dbraw/zinc/61/08/86/411610886.db2.gz HNRUDMTYTZBFIQ-HTQZYQBOSA-N 1 2 244.316 0.767 20 0 BCADLO C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H](C)O1 ZINC000660658902 411614158 /nfs/dbraw/zinc/61/41/58/411614158.db2.gz WCNXFOPSJQQGRR-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H](C)O1 ZINC000660658902 411614160 /nfs/dbraw/zinc/61/41/60/411614160.db2.gz WCNXFOPSJQQGRR-YNEHKIRRSA-N 1 2 242.363 0.816 20 0 BCADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CCOC2)C1 ZINC000660728345 411619444 /nfs/dbraw/zinc/61/94/44/411619444.db2.gz QEZNCWXJSFSPTH-SECBINFHSA-N 1 2 233.333 0.142 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1coc(C)n1 ZINC000660753295 411620760 /nfs/dbraw/zinc/62/07/60/411620760.db2.gz XVCATBKRPYDCME-GHMZBOCLSA-N 1 2 226.276 0.877 20 0 BCADLO OCCC[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660761040 411621558 /nfs/dbraw/zinc/62/15/58/411621558.db2.gz VPXXZFNTIWNCLT-JTQLQIEISA-N 1 2 224.308 0.442 20 0 BCADLO OCCC[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660761040 411621560 /nfs/dbraw/zinc/62/15/60/411621560.db2.gz VPXXZFNTIWNCLT-JTQLQIEISA-N 1 2 224.308 0.442 20 0 BCADLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)nn1C ZINC000565184423 411622508 /nfs/dbraw/zinc/62/25/08/411622508.db2.gz ZSBRKEHVSXCQQI-SNVBAGLBSA-N 1 2 236.319 1.007 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)no1 ZINC000661143792 411718931 /nfs/dbraw/zinc/71/89/31/411718931.db2.gz ASOHONILLQUUOV-JTQLQIEISA-N 1 2 248.290 0.492 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)no1 ZINC000661143792 411718934 /nfs/dbraw/zinc/71/89/34/411718934.db2.gz ASOHONILLQUUOV-JTQLQIEISA-N 1 2 248.290 0.492 20 0 BCADLO CCOC[C@@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000355719172 411710809 /nfs/dbraw/zinc/71/08/09/411710809.db2.gz JFQYUNSPHXLBPE-JTQLQIEISA-N 1 2 239.319 1.409 20 0 BCADLO Cc1cccn2c(CNc3ncn(C)n3)c[nH+]c12 ZINC000431027556 411715821 /nfs/dbraw/zinc/71/58/21/411715821.db2.gz WVYBISPWQTXJSM-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BCADLO Cc1cc(NCCCOc2ncccn2)nc[nH+]1 ZINC000641652657 411647729 /nfs/dbraw/zinc/64/77/29/411647729.db2.gz DCVSSFBKLWXLPR-UHFFFAOYSA-N 1 2 245.286 1.456 20 0 BCADLO C[C@@H](NC(=O)NCc1cc[nH]n1)c1[nH+]ccn1C ZINC000660829621 411648151 /nfs/dbraw/zinc/64/81/51/411648151.db2.gz SESZHTJOLLFKKO-MRVPVSSYSA-N 1 2 248.290 0.704 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660832394 411648495 /nfs/dbraw/zinc/64/84/95/411648495.db2.gz WQPKZANCLRDZFA-ZJUUUORDSA-N 1 2 224.308 0.298 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660832394 411648498 /nfs/dbraw/zinc/64/84/98/411648498.db2.gz WQPKZANCLRDZFA-ZJUUUORDSA-N 1 2 224.308 0.298 20 0 BCADLO Cc1cc(NCc2ccc(C(N)=O)nc2)nc[nH+]1 ZINC000441791579 411652408 /nfs/dbraw/zinc/65/24/08/411652408.db2.gz VTQVBQCULZOTEL-UHFFFAOYSA-N 1 2 243.270 0.891 20 0 BCADLO COC[C@H](CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000352348614 411652596 /nfs/dbraw/zinc/65/25/96/411652596.db2.gz BSWWAEUAWDVWMN-JTQLQIEISA-N 1 2 239.319 1.409 20 0 BCADLO Cc1cc(NC[C@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000413333934 411653179 /nfs/dbraw/zinc/65/31/79/411653179.db2.gz DQYBOUNVNVLVKA-NSHDSACASA-N 1 2 220.276 0.866 20 0 BCADLO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)nc[nH+]1 ZINC000420609178 411653609 /nfs/dbraw/zinc/65/36/09/411653609.db2.gz JBUXBTAWSUXONW-PHIMTYICSA-N 1 2 248.330 1.489 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C(C)(C)C ZINC000660843452 411653606 /nfs/dbraw/zinc/65/36/06/411653606.db2.gz YATIPKVEHCJOGZ-ZETCQYMHSA-N 1 2 229.280 0.614 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C(C)(C)C ZINC000660843452 411653610 /nfs/dbraw/zinc/65/36/10/411653610.db2.gz YATIPKVEHCJOGZ-ZETCQYMHSA-N 1 2 229.280 0.614 20 0 BCADLO COCc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000572196845 411653680 /nfs/dbraw/zinc/65/36/80/411653680.db2.gz HRNBTIIWTAUKQW-UHFFFAOYSA-N 1 2 247.302 1.322 20 0 BCADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCOC1 ZINC000660845991 411656829 /nfs/dbraw/zinc/65/68/29/411656829.db2.gz VVJHVMOBFCCPMP-SSDOTTSWSA-N 1 2 213.237 0.244 20 0 BCADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCOC1 ZINC000660845991 411656832 /nfs/dbraw/zinc/65/68/32/411656832.db2.gz VVJHVMOBFCCPMP-SSDOTTSWSA-N 1 2 213.237 0.244 20 0 BCADLO COCc1nnc(NCc2[nH+]ccn2C)s1 ZINC000336717866 411662067 /nfs/dbraw/zinc/66/20/67/411662067.db2.gz XAVOXLVKOGANAB-UHFFFAOYSA-N 1 2 239.304 1.030 20 0 BCADLO CO[C@@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000582602961 411671542 /nfs/dbraw/zinc/67/15/42/411671542.db2.gz GODIRWHUNRKNMI-NXEZZACHSA-N 1 2 235.287 1.180 20 0 BCADLO Nc1cccc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000660924138 411675377 /nfs/dbraw/zinc/67/53/77/411675377.db2.gz URGSDKURXRRMES-UHFFFAOYSA-N 1 2 229.287 0.876 20 0 BCADLO Nc1cccc(C[N@H+]2CCn3nncc3C2)c1 ZINC000660924138 411675380 /nfs/dbraw/zinc/67/53/80/411675380.db2.gz URGSDKURXRRMES-UHFFFAOYSA-N 1 2 229.287 0.876 20 0 BCADLO Cc1noc(C[N@H+](C)CCc2cn[nH]n2)n1 ZINC000660925934 411676557 /nfs/dbraw/zinc/67/65/57/411676557.db2.gz JCOMQLPQXLMCFF-UHFFFAOYSA-N 1 2 222.252 0.171 20 0 BCADLO Cc1noc(C[N@@H+](C)CCc2cn[nH]n2)n1 ZINC000660925934 411676563 /nfs/dbraw/zinc/67/65/63/411676563.db2.gz JCOMQLPQXLMCFF-UHFFFAOYSA-N 1 2 222.252 0.171 20 0 BCADLO CO[C@H]1COCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000450697329 411677177 /nfs/dbraw/zinc/67/71/77/411677177.db2.gz UTBZBKDDVWQQOJ-QWRGUYRKSA-N 1 2 237.303 1.248 20 0 BCADLO COc1c(N)[nH+]cnc1NCC1=CCCOC1 ZINC000576292414 411679467 /nfs/dbraw/zinc/67/94/67/411679467.db2.gz NKEXLSGCVBRCFJ-UHFFFAOYSA-N 1 2 236.275 0.826 20 0 BCADLO COc1c(N)nc[nH+]c1NCC1=CCCOC1 ZINC000576292414 411679472 /nfs/dbraw/zinc/67/94/72/411679472.db2.gz NKEXLSGCVBRCFJ-UHFFFAOYSA-N 1 2 236.275 0.826 20 0 BCADLO COc1c(N)[nH+]cnc1NCC=C(C)C ZINC000578379921 411680408 /nfs/dbraw/zinc/68/04/08/411680408.db2.gz KLUCLJTTZDFKTD-UHFFFAOYSA-N 1 2 208.265 1.446 20 0 BCADLO COc1c(N)nc[nH+]c1NCC=C(C)C ZINC000578379921 411680411 /nfs/dbraw/zinc/68/04/11/411680411.db2.gz KLUCLJTTZDFKTD-UHFFFAOYSA-N 1 2 208.265 1.446 20 0 BCADLO COc1c(N)[nH+]cnc1NCCC1(O)CCC1 ZINC000397752592 411680477 /nfs/dbraw/zinc/68/04/77/411680477.db2.gz GIWOFJQBTNCOPN-UHFFFAOYSA-N 1 2 238.291 0.784 20 0 BCADLO COc1c(N)nc[nH+]c1NCCC1(O)CCC1 ZINC000397752592 411680481 /nfs/dbraw/zinc/68/04/81/411680481.db2.gz GIWOFJQBTNCOPN-UHFFFAOYSA-N 1 2 238.291 0.784 20 0 BCADLO C[C@H](NC(=O)N[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000660945733 411685987 /nfs/dbraw/zinc/68/59/87/411685987.db2.gz NCCXFUWDCUYZKT-DTWKUNHWSA-N 1 2 238.291 0.569 20 0 BCADLO C[C@H](c1nccc(N)n1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089552 411700466 /nfs/dbraw/zinc/70/04/66/411700466.db2.gz CEWIHGQPTXZMOU-MRVPVSSYSA-N 1 2 232.291 0.975 20 0 BCADLO C[C@H](c1nccc(N)n1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089552 411700468 /nfs/dbraw/zinc/70/04/68/411700468.db2.gz CEWIHGQPTXZMOU-MRVPVSSYSA-N 1 2 232.291 0.975 20 0 BCADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(=O)NC ZINC000450937418 411731607 /nfs/dbraw/zinc/73/16/07/411731607.db2.gz HRSYGKMSNPLEQD-SECBINFHSA-N 1 2 236.319 1.537 20 0 BCADLO CC[C@@H](O)CCCNc1nc[nH+]c(N)c1OC ZINC000398601765 411733246 /nfs/dbraw/zinc/73/32/46/411733246.db2.gz YXXZUMXVKLKFDS-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BCADLO CC[C@@H](O)CCCNc1[nH+]cnc(N)c1OC ZINC000398601765 411733250 /nfs/dbraw/zinc/73/32/50/411733250.db2.gz YXXZUMXVKLKFDS-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCO[C@@H]1C ZINC000571656459 411735556 /nfs/dbraw/zinc/73/55/56/411735556.db2.gz BYBUQPTVLCDJKF-SKDRFNHKSA-N 1 2 237.303 1.045 20 0 BCADLO Cc1c[nH+]c(C)nc1NCCC(=O)NC(C)C ZINC000555026335 411735893 /nfs/dbraw/zinc/73/58/93/411735893.db2.gz MHFLLKNBLXCSKU-UHFFFAOYSA-N 1 2 236.319 1.420 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCOC1 ZINC000520901337 411736476 /nfs/dbraw/zinc/73/64/76/411736476.db2.gz FXCGOTIMPOSPGV-NSHDSACASA-N 1 2 223.276 0.657 20 0 BCADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCSC1 ZINC000563427058 411738032 /nfs/dbraw/zinc/73/80/32/411738032.db2.gz QFRQIZGUFSRCQQ-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BCADLO Cc1cnc(CCNc2cc[nH+]c(C)n2)nc1 ZINC000340079668 411738176 /nfs/dbraw/zinc/73/81/76/411738176.db2.gz QJMJPRLKTACFAW-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BCADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[S@@](C)=O ZINC000580745862 411739232 /nfs/dbraw/zinc/73/92/32/411739232.db2.gz ZREKWOPXCHAKFI-AYVTZFPOSA-N 1 2 227.333 1.272 20 0 BCADLO Cc1c[nH+]c(C)nc1NCc1nnc2n1CCC2 ZINC000565221409 411739394 /nfs/dbraw/zinc/73/93/94/411739394.db2.gz JDKKSBSUXLICBI-UHFFFAOYSA-N 1 2 244.302 1.243 20 0 BCADLO Cc1cncc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000336743914 411740970 /nfs/dbraw/zinc/74/09/70/411740970.db2.gz PQHPREKQIWPCRL-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BCADLO Cc1cncnc1NC[C@H]1COCC[N@H+]1C ZINC000630092034 411742846 /nfs/dbraw/zinc/74/28/46/411742846.db2.gz BGHFIVJVQGTIFZ-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO Cc1cncnc1NC[C@H]1COCC[N@@H+]1C ZINC000630092034 411742848 /nfs/dbraw/zinc/74/28/48/411742848.db2.gz BGHFIVJVQGTIFZ-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)OC ZINC000661261495 411744632 /nfs/dbraw/zinc/74/46/32/411744632.db2.gz HWWDGXHLIABSEX-SECBINFHSA-N 1 2 240.307 0.737 20 0 BCADLO CCc1cc(NCC2([S@@](C)=O)CC2)nc[nH+]1 ZINC000390412284 411762079 /nfs/dbraw/zinc/76/20/79/411762079.db2.gz FOGNOEAUPOSCSB-INIZCTEOSA-N 1 2 239.344 1.362 20 0 BCADLO Cc1nc(CNc2nc(N(C)C)nc(C)[nH+]2)no1 ZINC000488384050 411763496 /nfs/dbraw/zinc/76/34/96/411763496.db2.gz HCWLCMKJHULOSQ-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO Cc1nc(CNc2nc(C)[nH+]c(N(C)C)n2)no1 ZINC000488384050 411763500 /nfs/dbraw/zinc/76/35/00/411763500.db2.gz HCWLCMKJHULOSQ-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO CCc1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n[nH]1 ZINC000375421266 411763615 /nfs/dbraw/zinc/76/36/15/411763615.db2.gz FLMFRCZRRIJKNJ-ZETCQYMHSA-N 1 2 244.245 0.908 20 0 BCADLO COc1ccnc(CNc2cc[nH+]c(C)n2)n1 ZINC000425265214 411763812 /nfs/dbraw/zinc/76/38/12/411763812.db2.gz UGWOLFZWDPHASC-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2[C@@H]3COC[C@@H]32)[nH+]1 ZINC000530536385 411767706 /nfs/dbraw/zinc/76/77/06/411767706.db2.gz HXEHOLZYKHDLSR-BRPSZJMVSA-N 1 2 235.291 0.303 20 0 BCADLO Cc1nc(N[C@H]2[C@@H]3COC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000530536385 411767709 /nfs/dbraw/zinc/76/77/09/411767709.db2.gz HXEHOLZYKHDLSR-BRPSZJMVSA-N 1 2 235.291 0.303 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@H](F)C2)[nH+]1 ZINC000340870590 411767736 /nfs/dbraw/zinc/76/77/36/411767736.db2.gz GHSAUVOQSSKGFX-IUCAKERBSA-N 1 2 239.298 1.549 20 0 BCADLO Cc1nc(N[C@H]2CC[C@H](F)C2)nc(N(C)C)[nH+]1 ZINC000340870590 411767742 /nfs/dbraw/zinc/76/77/42/411767742.db2.gz GHSAUVOQSSKGFX-IUCAKERBSA-N 1 2 239.298 1.549 20 0 BCADLO CCc1cc(NC[C@H]2CC[C@@H](CO)O2)nc[nH+]1 ZINC000644867653 411768368 /nfs/dbraw/zinc/76/83/68/411768368.db2.gz ZGSDGJZLXGXUGU-MNOVXSKESA-N 1 2 237.303 0.991 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661400258 411768423 /nfs/dbraw/zinc/76/84/23/411768423.db2.gz PLLFDUZXWYUVHA-BBBLOLIVSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661400258 411768426 /nfs/dbraw/zinc/76/84/26/411768426.db2.gz PLLFDUZXWYUVHA-BBBLOLIVSA-N 1 2 235.274 0.992 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC000408028415 411768675 /nfs/dbraw/zinc/76/86/75/411768675.db2.gz DGDPTJSBNYOVSE-VXNVDRBHSA-N 1 2 237.307 0.835 20 0 BCADLO Cc1nc(N[C@@H]2CCO[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408028415 411768679 /nfs/dbraw/zinc/76/86/79/411768679.db2.gz DGDPTJSBNYOVSE-VXNVDRBHSA-N 1 2 237.307 0.835 20 0 BCADLO CCc1cc(NC[C@H](O)[C@@H]2CCCO2)nc[nH+]1 ZINC000624513569 411768781 /nfs/dbraw/zinc/76/87/81/411768781.db2.gz BPFAGNLLOUUXMW-QWRGUYRKSA-N 1 2 237.303 0.991 20 0 BCADLO CC(C)(O)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399503 411769236 /nfs/dbraw/zinc/76/92/36/411769236.db2.gz JTEICLDQLAPKMZ-ZETCQYMHSA-N 1 2 209.236 0.459 20 0 BCADLO CC(C)(O)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399503 411769239 /nfs/dbraw/zinc/76/92/39/411769239.db2.gz JTEICLDQLAPKMZ-ZETCQYMHSA-N 1 2 209.236 0.459 20 0 BCADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661408695 411769317 /nfs/dbraw/zinc/76/93/17/411769317.db2.gz QXHDNYBBZQFISN-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO CC(C)[C@@H](O)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661408695 411769320 /nfs/dbraw/zinc/76/93/20/411769320.db2.gz QXHDNYBBZQFISN-IUCAKERBSA-N 1 2 223.263 0.705 20 0 BCADLO CCc1cc(NCCN2C(=O)CCC2=O)nc[nH+]1 ZINC000405396748 411769501 /nfs/dbraw/zinc/76/95/01/411769501.db2.gz UCNOTDZHMGMNOF-UHFFFAOYSA-N 1 2 248.286 0.600 20 0 BCADLO O[C@H]1CCN(Cc2[nH]cc[nH+]2)CC1(F)F ZINC000661402113 411769415 /nfs/dbraw/zinc/76/94/15/411769415.db2.gz TUXLODLXPIEYGU-ZETCQYMHSA-N 1 2 217.219 0.612 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000571495523 411769983 /nfs/dbraw/zinc/76/99/83/411769983.db2.gz JERNYKJWQGOYSX-VHSXEESVSA-N 1 2 233.319 1.456 20 0 BCADLO Cc1nc(N[C@@H]2C[C@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000571495523 411769985 /nfs/dbraw/zinc/76/99/85/411769985.db2.gz JERNYKJWQGOYSX-VHSXEESVSA-N 1 2 233.319 1.456 20 0 BCADLO COc1nc(C)cc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000354525556 411775092 /nfs/dbraw/zinc/77/50/92/411775092.db2.gz XSOKVVQMMJPWMR-JTQLQIEISA-N 1 2 247.302 1.491 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000661440120 411775225 /nfs/dbraw/zinc/77/52/25/411775225.db2.gz FZNWSLOAQOYJDI-ZYHUDNBSSA-N 1 2 238.335 0.830 20 0 BCADLO C[C@H](CO)[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000661440120 411775230 /nfs/dbraw/zinc/77/52/30/411775230.db2.gz FZNWSLOAQOYJDI-ZYHUDNBSSA-N 1 2 238.335 0.830 20 0 BCADLO c1[nH]c2c([nH+]1)CCN(c1ncnc3n[nH]cc31)C2 ZINC000663919527 411775271 /nfs/dbraw/zinc/77/52/71/411775271.db2.gz OIWBBBNXRSVBOD-UHFFFAOYSA-N 1 2 241.258 0.639 20 0 BCADLO CCn1ccnc(N2CCc3[nH+]c[nH]c3C2)c1=O ZINC000663920207 411776021 /nfs/dbraw/zinc/77/60/21/411776021.db2.gz UJOJFXZYZNBSFA-UHFFFAOYSA-N 1 2 245.286 0.549 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@]2(O)CCOC2)[nH+]1 ZINC000339056144 411777890 /nfs/dbraw/zinc/77/78/90/411777890.db2.gz JGKODTFKHAFESG-GFCCVEGCSA-N 1 2 248.286 0.830 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000661440780 411778816 /nfs/dbraw/zinc/77/88/16/411778816.db2.gz FAKOCUZGZAUHON-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000661440780 411778821 /nfs/dbraw/zinc/77/88/21/411778821.db2.gz FAKOCUZGZAUHON-VHSXEESVSA-N 1 2 239.323 0.193 20 0 BCADLO Cc1nc2[nH]ccc2c(NC[C@H](O)C(F)F)[nH+]1 ZINC000433787606 411779062 /nfs/dbraw/zinc/77/90/62/411779062.db2.gz WIOXQVKZZLTGII-ZETCQYMHSA-N 1 2 242.229 1.304 20 0 BCADLO CC(C)[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000663939382 411783241 /nfs/dbraw/zinc/78/32/41/411783241.db2.gz LVNKPGMWTVNKIG-VIFPVBQESA-N 1 2 248.286 0.740 20 0 BCADLO Cc1nc2[nH]ccc2c(NCCn2cnnc2)[nH+]1 ZINC000663949793 411788834 /nfs/dbraw/zinc/78/88/34/411788834.db2.gz GGHWKFSZRVTOCH-UHFFFAOYSA-N 1 2 243.274 0.970 20 0 BCADLO CCc1nncn1CCNc1nc(C)[nH+]cc1C ZINC000578247731 411790610 /nfs/dbraw/zinc/79/06/10/411790610.db2.gz GUVBWZGNNNFUJG-UHFFFAOYSA-N 1 2 246.318 1.359 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165888 411726859 /nfs/dbraw/zinc/72/68/59/411726859.db2.gz DSQUUXGRUCGGBY-KCJUWKMLSA-N 1 2 212.293 0.361 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165888 411726863 /nfs/dbraw/zinc/72/68/63/411726863.db2.gz DSQUUXGRUCGGBY-KCJUWKMLSA-N 1 2 212.293 0.361 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C(C)C)o1 ZINC000661528991 411795685 /nfs/dbraw/zinc/79/56/85/411795685.db2.gz XICBOSKJUSRMIL-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nnc(C[N@H+](C)C[C@H](O)C(C)C)o1 ZINC000661528991 411795688 /nfs/dbraw/zinc/79/56/88/411795688.db2.gz XICBOSKJUSRMIL-VIFPVBQESA-N 1 2 213.281 0.827 20 0 BCADLO Cc1nnc(NCC2([NH+]3CCOCC3)CC2)o1 ZINC000329179813 411796248 /nfs/dbraw/zinc/79/62/48/411796248.db2.gz DEIOWJVFHFBLDB-UHFFFAOYSA-N 1 2 238.291 0.655 20 0 BCADLO C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H](C)C1=O ZINC000661548587 411801041 /nfs/dbraw/zinc/80/10/41/411801041.db2.gz BXFGJXAPIUARBN-OPRDCNLKSA-N 1 2 224.304 0.374 20 0 BCADLO C[C@H]1C(=O)N(CCc2c[nH+]cn2C)C(=O)[C@H]1C ZINC000663985786 411802670 /nfs/dbraw/zinc/80/26/70/411802670.db2.gz ZSQPEVLVQSKMAL-DTORHVGOSA-N 1 2 235.287 0.604 20 0 BCADLO OC[C@@H]1COCC[N@@H+]1CCOC1CCC1 ZINC000661561339 411803678 /nfs/dbraw/zinc/80/36/78/411803678.db2.gz HYRPMWPURQQYJR-SNVBAGLBSA-N 1 2 215.293 0.249 20 0 BCADLO OC[C@@H]1COCC[N@H+]1CCOC1CCC1 ZINC000661561339 411803681 /nfs/dbraw/zinc/80/36/81/411803681.db2.gz HYRPMWPURQQYJR-SNVBAGLBSA-N 1 2 215.293 0.249 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@H]2CO)s1 ZINC000661566513 411804937 /nfs/dbraw/zinc/80/49/37/411804937.db2.gz VXWHAPYHJWHGFJ-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO Cc1nc(C)c(C[N@H+]2CCOC[C@H]2CO)s1 ZINC000661566513 411804938 /nfs/dbraw/zinc/80/49/38/411804938.db2.gz VXWHAPYHJWHGFJ-SNVBAGLBSA-N 1 2 242.344 0.953 20 0 BCADLO Cc1cc(NCCC(=O)Nc2ncc[nH]2)nc[nH+]1 ZINC000664008932 411811841 /nfs/dbraw/zinc/81/18/41/411811841.db2.gz NLHSLIUKHZWHFI-UHFFFAOYSA-N 1 2 246.274 0.949 20 0 BCADLO CCn1cc[nH+]c1CNc1nccn2cnnc12 ZINC000385309831 411811940 /nfs/dbraw/zinc/81/19/40/411811940.db2.gz GHYVRUPZKVQUDC-UHFFFAOYSA-N 1 2 243.274 0.953 20 0 BCADLO CCn1cc[nH+]c1CNc1ccc(C#N)nn1 ZINC000396949541 411812503 /nfs/dbraw/zinc/81/25/03/411812503.db2.gz AQZRQJOWUXVOMT-UHFFFAOYSA-N 1 2 228.259 1.177 20 0 BCADLO CCn1cc[nH+]c1CNc1nc(N(C)C)n[nH]1 ZINC000567226966 411813715 /nfs/dbraw/zinc/81/37/15/411813715.db2.gz JPKOSSLUZVUPHK-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO CCn1cc[nH+]c1CNc1n[nH]c(N(C)C)n1 ZINC000567226966 411813719 /nfs/dbraw/zinc/81/37/19/411813719.db2.gz JPKOSSLUZVUPHK-UHFFFAOYSA-N 1 2 235.295 0.699 20 0 BCADLO CCn1c[nH+]cc1CNc1nc(OC)n[nH]1 ZINC000582409077 411814962 /nfs/dbraw/zinc/81/49/62/411814962.db2.gz LCVVNFXWPGHGNR-UHFFFAOYSA-N 1 2 222.252 0.642 20 0 BCADLO CCn1cnnc1CNc1nc(C)[nH+]cc1C ZINC000565224008 411815046 /nfs/dbraw/zinc/81/50/46/411815046.db2.gz YAHGOVBRSYKYOD-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661610714 411816771 /nfs/dbraw/zinc/81/67/71/411816771.db2.gz FWOBIARIHYYNGK-VIFPVBQESA-N 1 2 240.307 0.214 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661610714 411816774 /nfs/dbraw/zinc/81/67/74/411816774.db2.gz FWOBIARIHYYNGK-VIFPVBQESA-N 1 2 240.307 0.214 20 0 BCADLO Cc1cncc(=O)n1CCc1c[nH+]cn1C ZINC000664036721 411821863 /nfs/dbraw/zinc/82/18/63/411821863.db2.gz ZEPMKELJZNOHMP-UHFFFAOYSA-N 1 2 218.260 0.528 20 0 BCADLO CCn1ncc(CNc2nc[nH+]c(N)c2OC)n1 ZINC000528071692 411822408 /nfs/dbraw/zinc/82/24/08/411822408.db2.gz KECMFLAVYAKQPU-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO CCn1ncc(CNc2[nH+]cnc(N)c2OC)n1 ZINC000528071692 411822412 /nfs/dbraw/zinc/82/24/12/411822412.db2.gz KECMFLAVYAKQPU-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO CCn1nncc1CNc1nc[nH+]c(N)c1OC ZINC000528063901 411825116 /nfs/dbraw/zinc/82/51/16/411825116.db2.gz NKQJBOMZMDJHKD-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO CCn1nncc1CNc1[nH+]cnc(N)c1OC ZINC000528063901 411825118 /nfs/dbraw/zinc/82/51/18/411825118.db2.gz NKQJBOMZMDJHKD-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BCADLO C[C@@H](O)CNc1cc(NCC2(C)CC2)[nH+]cn1 ZINC000413177911 411831176 /nfs/dbraw/zinc/83/11/76/411831176.db2.gz VBXNKCPIRYQKRW-SECBINFHSA-N 1 2 236.319 1.481 20 0 BCADLO C[C@@H](O)CNc1cc(NCC2(C)CC2)nc[nH+]1 ZINC000413177911 411831182 /nfs/dbraw/zinc/83/11/82/411831182.db2.gz VBXNKCPIRYQKRW-SECBINFHSA-N 1 2 236.319 1.481 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@H](C)F)[nH+]cn1 ZINC000413290218 411832633 /nfs/dbraw/zinc/83/26/33/411832633.db2.gz BKJOWDFBRVWETF-DTWKUNHWSA-N 1 2 242.298 1.429 20 0 BCADLO C[C@@H](O)CNc1cc(NCC[C@H](C)F)nc[nH+]1 ZINC000413290218 411832637 /nfs/dbraw/zinc/83/26/37/411832637.db2.gz BKJOWDFBRVWETF-DTWKUNHWSA-N 1 2 242.298 1.429 20 0 BCADLO Cn1c2ccccc2[nH+]c1N[C@H]1CC[S@](=O)C1 ZINC000336431075 411834284 /nfs/dbraw/zinc/83/42/84/411834284.db2.gz JTLYBJMGAVSKFK-HUTHGQBESA-N 1 2 249.339 1.506 20 0 BCADLO Cn1cc(CCCNc2cc(CO)cc[nH+]2)cn1 ZINC000641334446 411836321 /nfs/dbraw/zinc/83/63/21/411836321.db2.gz GQWSAXGFJRHGMR-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BCADLO Cn1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000349422763 411846095 /nfs/dbraw/zinc/84/60/95/411846095.db2.gz BLJPTDIOMSPGIZ-VIFPVBQESA-N 1 2 245.286 0.818 20 0 BCADLO NC(=O)[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000651412422 411846792 /nfs/dbraw/zinc/84/67/92/411846792.db2.gz UNUAHZVGVSJNRL-KYZUINATSA-N 1 2 232.287 0.452 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661703521 411848102 /nfs/dbraw/zinc/84/81/02/411848102.db2.gz UHWBHANILUJLEE-GXSJLCMTSA-N 1 2 223.276 0.846 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661703521 411848104 /nfs/dbraw/zinc/84/81/04/411848104.db2.gz UHWBHANILUJLEE-GXSJLCMTSA-N 1 2 223.276 0.846 20 0 BCADLO CCCc1noc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661712502 411854545 /nfs/dbraw/zinc/85/45/45/411854545.db2.gz RVTMDXOAEZMDDI-JOYOIKCWSA-N 1 2 237.303 0.979 20 0 BCADLO CCCc1noc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661712502 411854548 /nfs/dbraw/zinc/85/45/48/411854548.db2.gz RVTMDXOAEZMDDI-JOYOIKCWSA-N 1 2 237.303 0.979 20 0 BCADLO CC(=O)N1CC[N@H+](Cc2ccc(N)nc2)[C@H](C)C1 ZINC000647516803 411854722 /nfs/dbraw/zinc/85/47/22/411854722.db2.gz OSXZPMXLGPKPMC-SNVBAGLBSA-N 1 2 248.330 0.716 20 0 BCADLO CC(=O)N1CC[N@@H+](Cc2ccc(N)nc2)[C@H](C)C1 ZINC000647516803 411854723 /nfs/dbraw/zinc/85/47/23/411854723.db2.gz OSXZPMXLGPKPMC-SNVBAGLBSA-N 1 2 248.330 0.716 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1cnns1)CC2 ZINC000661722572 411858457 /nfs/dbraw/zinc/85/84/57/411858457.db2.gz IUYGCEMHSHXTTR-IONNQARKSA-N 1 2 211.290 0.495 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnns1)CC2 ZINC000661722572 411858461 /nfs/dbraw/zinc/85/84/61/411858461.db2.gz IUYGCEMHSHXTTR-IONNQARKSA-N 1 2 211.290 0.495 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723637 411860634 /nfs/dbraw/zinc/86/06/34/411860634.db2.gz RBEHBKYGGWDTGQ-GXSJLCMTSA-N 1 2 222.292 0.255 20 0 BCADLO CCn1ncnc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723637 411860639 /nfs/dbraw/zinc/86/06/39/411860639.db2.gz RBEHBKYGGWDTGQ-GXSJLCMTSA-N 1 2 222.292 0.255 20 0 BCADLO Cc1nnc(N(C)Cc2c[nH+]c[nH]2)nc1C ZINC000664128316 411860974 /nfs/dbraw/zinc/86/09/74/411860974.db2.gz VQTOWOVAHBCPHW-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO Cc1nnc(N(C)Cc2c[nH]c[nH+]2)nc1C ZINC000664128316 411860979 /nfs/dbraw/zinc/86/09/79/411860979.db2.gz VQTOWOVAHBCPHW-UHFFFAOYSA-N 1 2 218.264 0.848 20 0 BCADLO CC(C)COCC[N@H+](C)Cc1cn(C)nn1 ZINC000661744090 411862666 /nfs/dbraw/zinc/86/26/66/411862666.db2.gz DQTXRCJXTVWOBS-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO CC(C)COCC[N@@H+](C)Cc1cn(C)nn1 ZINC000661744090 411862669 /nfs/dbraw/zinc/86/26/69/411862669.db2.gz DQTXRCJXTVWOBS-UHFFFAOYSA-N 1 2 226.324 0.920 20 0 BCADLO Cn1cc(C[N@H+](C)CCc2cncs2)nn1 ZINC000661743883 411862971 /nfs/dbraw/zinc/86/29/71/411862971.db2.gz OQDSJVSAVASXLL-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO Cn1cc(C[N@@H+](C)CCc2cncs2)nn1 ZINC000661743883 411862976 /nfs/dbraw/zinc/86/29/76/411862976.db2.gz OQDSJVSAVASXLL-UHFFFAOYSA-N 1 2 237.332 0.946 20 0 BCADLO CC[C@@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000661742943 411863393 /nfs/dbraw/zinc/86/33/93/411863393.db2.gz AIRAAGCHPFDJOO-JTQLQIEISA-N 1 2 212.297 0.672 20 0 BCADLO CC[C@@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000661742943 411863397 /nfs/dbraw/zinc/86/33/97/411863397.db2.gz AIRAAGCHPFDJOO-JTQLQIEISA-N 1 2 212.297 0.672 20 0 BCADLO CC[C@H](C)C[C@H](CO)Nc1nc(C)[nH+]c(N)n1 ZINC000631318898 411885833 /nfs/dbraw/zinc/88/58/33/411885833.db2.gz BZOWAPSJLXLOSG-IONNQARKSA-N 1 2 239.323 0.971 20 0 BCADLO CC[C@H](C)C[C@H](CO)Nc1nc(N)nc(C)[nH+]1 ZINC000631318898 411885834 /nfs/dbraw/zinc/88/58/34/411885834.db2.gz BZOWAPSJLXLOSG-IONNQARKSA-N 1 2 239.323 0.971 20 0 BCADLO CCc1cc(NCc2c[nH+]c(C)nc2N)ncn1 ZINC000631314718 411887673 /nfs/dbraw/zinc/88/76/73/411887673.db2.gz CVBJOOKCKMSLHW-UHFFFAOYSA-N 1 2 244.302 0.754 20 0 BCADLO CN1CC[N@H+](Cc2cncc(F)c2)CCC1=O ZINC000661805595 411889161 /nfs/dbraw/zinc/88/91/61/411889161.db2.gz NCNJUAJGNKDJSC-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO CN1CC[N@@H+](Cc2cncc(F)c2)CCC1=O ZINC000661805595 411889165 /nfs/dbraw/zinc/88/91/65/411889165.db2.gz NCNJUAJGNKDJSC-UHFFFAOYSA-N 1 2 237.278 0.885 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC(=O)N(C)CC2)o1 ZINC000661810554 411891043 /nfs/dbraw/zinc/89/10/43/411891043.db2.gz FFTQNURWSKPEGG-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO Cc1cnc(C[N@H+]2CCC(=O)N(C)CC2)o1 ZINC000661810554 411891047 /nfs/dbraw/zinc/89/10/47/411891047.db2.gz FFTQNURWSKPEGG-UHFFFAOYSA-N 1 2 223.276 0.647 20 0 BCADLO C[C@H](O)CNc1cc(NC/C=C/CO)nc[nH+]1 ZINC000664235344 411892445 /nfs/dbraw/zinc/89/24/45/411892445.db2.gz GXYGHYCZWSKNNZ-HPOULIHZSA-N 1 2 238.291 0.230 20 0 BCADLO C[C@H](O)CNc1cc(NC/C=C/CO)[nH+]cn1 ZINC000664235344 411892451 /nfs/dbraw/zinc/89/24/51/411892451.db2.gz GXYGHYCZWSKNNZ-HPOULIHZSA-N 1 2 238.291 0.230 20 0 BCADLO CO[C@@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000639836984 411895697 /nfs/dbraw/zinc/89/56/97/411895697.db2.gz KVIBGZIETDMAKJ-NSHDSACASA-N 1 2 223.276 0.469 20 0 BCADLO CCc1ccnc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000631262901 411897341 /nfs/dbraw/zinc/89/73/41/411897341.db2.gz WUXWVWNDUMVBEL-UHFFFAOYSA-N 1 2 244.302 0.754 20 0 BCADLO CCc1ccnc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000631262901 411897348 /nfs/dbraw/zinc/89/73/48/411897348.db2.gz WUXWVWNDUMVBEL-UHFFFAOYSA-N 1 2 244.302 0.754 20 0 BCADLO Cc1nc(NC[C@@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000631363703 411942394 /nfs/dbraw/zinc/94/23/94/411942394.db2.gz AKVZNTNDXVHDND-VIFPVBQESA-N 1 2 237.307 0.005 20 0 BCADLO Cc1nc(N)nc(NC[C@@H](CO)CC2CC2)[nH+]1 ZINC000631363703 411942399 /nfs/dbraw/zinc/94/23/99/411942399.db2.gz AKVZNTNDXVHDND-VIFPVBQESA-N 1 2 237.307 0.005 20 0 BCADLO CCCCNc1cc(NCCOC)nc(N)[nH+]1 ZINC000439126579 411901113 /nfs/dbraw/zinc/90/11/13/411901113.db2.gz CCBNCSNOIFMABS-UHFFFAOYSA-N 1 2 239.323 0.751 20 0 BCADLO CCCCNc1cc(NCCOC)[nH+]c(N)n1 ZINC000439126579 411901121 /nfs/dbraw/zinc/90/11/21/411901121.db2.gz CCBNCSNOIFMABS-UHFFFAOYSA-N 1 2 239.323 0.751 20 0 BCADLO Cc1nc(N2CC[C@H](O)C(F)(F)C2)cc[nH+]1 ZINC000664259263 411902716 /nfs/dbraw/zinc/90/27/16/411902716.db2.gz NVDIUFJYOPNESN-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C1(CO)CC1 ZINC000664270932 411905719 /nfs/dbraw/zinc/90/57/19/411905719.db2.gz FTTIRYKUYCNNBE-QMMMGPOBSA-N 1 2 247.302 0.936 20 0 BCADLO COC(=O)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000602891894 411907404 /nfs/dbraw/zinc/90/74/04/411907404.db2.gz KXZDRNUHVFPXQU-SSDOTTSWSA-N 1 2 240.263 0.004 20 0 BCADLO COC(=O)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000602891894 411907410 /nfs/dbraw/zinc/90/74/10/411907410.db2.gz KXZDRNUHVFPXQU-SSDOTTSWSA-N 1 2 240.263 0.004 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)c2ncnn2C)c2[nH+]ccn21 ZINC000664274908 411908903 /nfs/dbraw/zinc/90/89/03/411908903.db2.gz FABANUXLTGNLAA-SFYZADRCSA-N 1 2 246.274 0.447 20 0 BCADLO CCC[N@H+](CC(=O)OC)Cc1ccc(N)nc1 ZINC000592431266 411910350 /nfs/dbraw/zinc/91/03/50/411910350.db2.gz MUIHMEXAVCIBNQ-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(N)nc1 ZINC000592431266 411910354 /nfs/dbraw/zinc/91/03/54/411910354.db2.gz MUIHMEXAVCIBNQ-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@]2(C)C[C@@H]2F)c[nH+]1 ZINC000570282747 411911795 /nfs/dbraw/zinc/91/17/95/411911795.db2.gz ODDIEJJXYLCULV-GZMMTYOYSA-N 1 2 238.266 0.732 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1nncs1 ZINC000664289606 411913763 /nfs/dbraw/zinc/91/37/63/411913763.db2.gz WPQYMLMDOLDRDO-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1nncs1 ZINC000664289606 411913766 /nfs/dbraw/zinc/91/37/66/411913766.db2.gz WPQYMLMDOLDRDO-UHFFFAOYSA-N 1 2 238.276 0.925 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cncs2)c[nH+]1 ZINC000552018347 411915010 /nfs/dbraw/zinc/91/50/10/411915010.db2.gz FMONAKPVWVYGSY-UHFFFAOYSA-N 1 2 249.299 0.754 20 0 BCADLO Cc1nc(N)c(CNC(=O)c2cscn2)c[nH+]1 ZINC000552184019 411915793 /nfs/dbraw/zinc/91/57/93/411915793.db2.gz WHAWWWQNHITXKW-UHFFFAOYSA-N 1 2 249.299 0.754 20 0 BCADLO CO[C@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000664316173 411919283 /nfs/dbraw/zinc/91/92/83/411919283.db2.gz PJBHWUPWGBKZIJ-SSDOTTSWSA-N 1 2 224.264 0.728 20 0 BCADLO CO[C@H](C)CNc1[nH+]cnc2c1OCCN2 ZINC000664316173 411919287 /nfs/dbraw/zinc/91/92/87/411919287.db2.gz PJBHWUPWGBKZIJ-SSDOTTSWSA-N 1 2 224.264 0.728 20 0 BCADLO Cc1noc(OCc2cc[nH+]c(N)c2)n1 ZINC000336702772 411922944 /nfs/dbraw/zinc/92/29/44/411922944.db2.gz QBOQLBLRSMZYFZ-UHFFFAOYSA-N 1 2 206.205 0.934 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1nccc(N)n1 ZINC000367670204 411929456 /nfs/dbraw/zinc/92/94/56/411929456.db2.gz ZPFSYQWUYPRQAQ-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1nccc(N)n1 ZINC000367670204 411929461 /nfs/dbraw/zinc/92/94/61/411929461.db2.gz ZPFSYQWUYPRQAQ-VIFPVBQESA-N 1 2 222.292 0.670 20 0 BCADLO Cc1nc(NC[C@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631075252 411943340 /nfs/dbraw/zinc/94/33/40/411943340.db2.gz ADVXZADMZZOJJV-VIFPVBQESA-N 1 2 219.292 0.952 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CC=CCC2)[nH+]1 ZINC000631075252 411943346 /nfs/dbraw/zinc/94/33/46/411943346.db2.gz ADVXZADMZZOJJV-VIFPVBQESA-N 1 2 219.292 0.952 20 0 BCADLO Nc1nc(NCC2COC2)[nH+]c2ccccc12 ZINC000528225530 411930096 /nfs/dbraw/zinc/93/00/96/411930096.db2.gz IDGODCSVKGJXIT-UHFFFAOYSA-N 1 2 230.271 0.692 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nncs1 ZINC000661975684 411930852 /nfs/dbraw/zinc/93/08/52/411930852.db2.gz YPYCZJPHJHSDAB-HTQZYQBOSA-N 1 2 238.316 0.818 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nncs1 ZINC000661975684 411930856 /nfs/dbraw/zinc/93/08/56/411930856.db2.gz YPYCZJPHJHSDAB-HTQZYQBOSA-N 1 2 238.316 0.818 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(N)nc(N(C)C)n1 ZINC000548424378 411932249 /nfs/dbraw/zinc/93/22/49/411932249.db2.gz YNIBPPREMDVACC-YUMQZZPRSA-N 1 2 236.323 0.503 20 0 BCADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(N)=O ZINC000661987581 411935643 /nfs/dbraw/zinc/93/56/43/411935643.db2.gz SIKSDVDAULCQLU-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(N)=O ZINC000661987581 411935645 /nfs/dbraw/zinc/93/56/45/411935645.db2.gz SIKSDVDAULCQLU-SECBINFHSA-N 1 2 212.293 0.505 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000378126823 411936621 /nfs/dbraw/zinc/93/66/21/411936621.db2.gz CNXLOFWAEWJWCH-UHFFFAOYSA-N 1 2 244.302 0.649 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000378126823 411936626 /nfs/dbraw/zinc/93/66/26/411936626.db2.gz CNXLOFWAEWJWCH-UHFFFAOYSA-N 1 2 244.302 0.649 20 0 BCADLO Cc1nc(C(=O)NCc2c[nH+]c(C)nc2N)co1 ZINC000648902115 411937136 /nfs/dbraw/zinc/93/71/36/411937136.db2.gz UTEZVGVNQWCFOZ-UHFFFAOYSA-N 1 2 247.258 0.594 20 0 BCADLO Cc1c[nH]nc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648902196 411938277 /nfs/dbraw/zinc/93/82/77/411938277.db2.gz GNLWPOKAQPLKJW-UHFFFAOYSA-N 1 2 246.274 0.329 20 0 BCADLO Nc1cc(C[N@@H+]2CCc3cncnc3C2)ccn1 ZINC000332525349 411941256 /nfs/dbraw/zinc/94/12/56/411941256.db2.gz OJKUZAHMDDPLGY-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BCADLO Nc1cc(C[N@H+]2CCc3cncnc3C2)ccn1 ZINC000332525349 411941261 /nfs/dbraw/zinc/94/12/61/411941261.db2.gz OJKUZAHMDDPLGY-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BCADLO CCO[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000631365506 411868525 /nfs/dbraw/zinc/86/85/25/411868525.db2.gz AOVZWLCGPYALNR-OCAPTIKFSA-N 1 2 223.280 0.742 20 0 BCADLO CCO[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000631365506 411868536 /nfs/dbraw/zinc/86/85/36/411868536.db2.gz AOVZWLCGPYALNR-OCAPTIKFSA-N 1 2 223.280 0.742 20 0 BCADLO COc1nc(C)cc(NCc2ccc(N)[nH+]c2)n1 ZINC000444835073 411869411 /nfs/dbraw/zinc/86/94/11/411869411.db2.gz IQYXTPXVBXKYDT-UHFFFAOYSA-N 1 2 245.286 0.805 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648902244 411882793 /nfs/dbraw/zinc/88/27/93/411882793.db2.gz ZHWCVJGFQPHSLC-PSASIEDQSA-N 1 2 234.303 1.030 20 0 BCADLO Cc1nc(N2CCO[C@](C)(C3CC3)C2)nc(N)[nH+]1 ZINC000631351993 411964397 /nfs/dbraw/zinc/96/43/97/411964397.db2.gz WBKROYFHGMNDIH-LBPRGKRZSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N)nc(N2CCO[C@](C)(C3CC3)C2)[nH+]1 ZINC000631351993 411964399 /nfs/dbraw/zinc/96/43/99/411964399.db2.gz WBKROYFHGMNDIH-LBPRGKRZSA-N 1 2 249.318 0.768 20 0 BCADLO Cc1nc(N2CC[C@@H]3COC[C@@H]3C2)nc(N)[nH+]1 ZINC000631371015 411964756 /nfs/dbraw/zinc/96/47/56/411964756.db2.gz FDPUAWTWYPTPPM-BDAKNGLRSA-N 1 2 235.291 0.235 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000631371015 411964758 /nfs/dbraw/zinc/96/47/58/411964758.db2.gz FDPUAWTWYPTPPM-BDAKNGLRSA-N 1 2 235.291 0.235 20 0 BCADLO CN1CCN(c2cccc[nH+]2)CCC1=O ZINC000664461209 411964881 /nfs/dbraw/zinc/96/48/81/411964881.db2.gz ADNMWKHXTUOGSI-UHFFFAOYSA-N 1 2 205.261 0.750 20 0 BCADLO Nc1n[nH]c(C2CC[NH+](Cc3ccon3)CC2)n1 ZINC000647932478 411974887 /nfs/dbraw/zinc/97/48/87/411974887.db2.gz CKORUYJWWWKYIZ-UHFFFAOYSA-N 1 2 248.290 0.755 20 0 BCADLO Cc1nc(N(C)C)nc(NC2([C@@H](C)O)CC2)[nH+]1 ZINC000664549282 411983551 /nfs/dbraw/zinc/98/35/51/411983551.db2.gz HEFFEOLOLQRMMA-SSDOTTSWSA-N 1 2 237.307 0.571 20 0 BCADLO Cc1nc(NC2([C@@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000664549282 411983555 /nfs/dbraw/zinc/98/35/55/411983555.db2.gz HEFFEOLOLQRMMA-SSDOTTSWSA-N 1 2 237.307 0.571 20 0 BCADLO C[C@@H](O)C1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000664549348 411983724 /nfs/dbraw/zinc/98/37/24/411983724.db2.gz HURKZPPMBVMHPL-SSDOTTSWSA-N 1 2 233.275 0.689 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC000648902474 411985732 /nfs/dbraw/zinc/98/57/32/411985732.db2.gz LQRPWULQTQWCHL-VIFPVBQESA-N 1 2 232.287 0.784 20 0 BCADLO Cc1nc(N)c(CNC(=O)[C@H]2CC2(F)F)c[nH+]1 ZINC000565775996 411985793 /nfs/dbraw/zinc/98/57/93/411985793.db2.gz CAFWSACSEYOMIH-SSDOTTSWSA-N 1 2 242.229 0.639 20 0 BCADLO C[C@H](C(N)=O)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662097167 411985828 /nfs/dbraw/zinc/98/58/28/411985828.db2.gz NOZOWSUYKBIWSK-MRVPVSSYSA-N 1 2 236.271 0.460 20 0 BCADLO C[C@H](C(N)=O)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662097167 411985831 /nfs/dbraw/zinc/98/58/31/411985831.db2.gz NOZOWSUYKBIWSK-MRVPVSSYSA-N 1 2 236.271 0.460 20 0 BCADLO Cc1nc(N)c(CNC(=O)C[C@H]2C[C@H]2C)c[nH+]1 ZINC000582609687 411986120 /nfs/dbraw/zinc/98/61/20/411986120.db2.gz LCJSEYYMWDQFOS-VXNVDRBHSA-N 1 2 234.303 1.030 20 0 BCADLO CCN(CC)C(=O)C[N@@H+]1CCc2nccnc2C1 ZINC000662127346 411994812 /nfs/dbraw/zinc/99/48/12/411994812.db2.gz VPTSWILJYPYMBW-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CCN(CC)C(=O)C[N@H+]1CCc2nccnc2C1 ZINC000662127346 411994816 /nfs/dbraw/zinc/99/48/16/411994816.db2.gz VPTSWILJYPYMBW-UHFFFAOYSA-N 1 2 248.330 0.703 20 0 BCADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnn(C)n1 ZINC000662130750 411996667 /nfs/dbraw/zinc/99/66/67/411996667.db2.gz WSRXAZSEWFSGHB-PBINXNQUSA-N 1 2 221.308 0.973 20 0 BCADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnn(C)n1 ZINC000662130750 411996669 /nfs/dbraw/zinc/99/66/69/411996669.db2.gz WSRXAZSEWFSGHB-PBINXNQUSA-N 1 2 221.308 0.973 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662137683 411999639 /nfs/dbraw/zinc/99/96/39/411999639.db2.gz ZDCKSXRHVNOYOI-KWQFWETISA-N 1 2 225.292 0.828 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662137683 411999640 /nfs/dbraw/zinc/99/96/40/411999640.db2.gz ZDCKSXRHVNOYOI-KWQFWETISA-N 1 2 225.292 0.828 20 0 BCADLO C[C@H]1C[N@H+](Cc2cnn[nH]2)C[C@@]1(C)CO ZINC000662142974 412004052 /nfs/dbraw/zinc/00/40/52/412004052.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cnn[nH]2)C[C@@]1(C)CO ZINC000662142974 412004055 /nfs/dbraw/zinc/00/40/55/412004055.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1C[N@H+](Cc2c[nH]nn2)C[C@@]1(C)CO ZINC000662142974 412004058 /nfs/dbraw/zinc/00/40/58/412004058.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1C[N@@H+](Cc2c[nH]nn2)C[C@@]1(C)CO ZINC000662142974 412004061 /nfs/dbraw/zinc/00/40/61/412004061.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1C[N@H+](Cc2cn[nH]n2)C[C@@]1(C)CO ZINC000662142974 412004062 /nfs/dbraw/zinc/00/40/62/412004062.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cn[nH]n2)C[C@@]1(C)CO ZINC000662142974 412004065 /nfs/dbraw/zinc/00/40/65/412004065.db2.gz LZYIULFHEILQLO-WPRPVWTQSA-N 1 2 210.281 0.255 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)[nH]1 ZINC000662141801 412004772 /nfs/dbraw/zinc/00/47/72/412004772.db2.gz HAQKLMYVOHROAF-BXKDBHETSA-N 1 2 238.335 0.817 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)[nH]1 ZINC000662141801 412004775 /nfs/dbraw/zinc/00/47/75/412004775.db2.gz HAQKLMYVOHROAF-BXKDBHETSA-N 1 2 238.335 0.817 20 0 BCADLO Cc1nc(NC[C@H]2CCC[C@@H](C)O2)nc(N)[nH+]1 ZINC000631368262 411944818 /nfs/dbraw/zinc/94/48/18/411944818.db2.gz AOXDBKGIDXXIDG-VXNVDRBHSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(N)nc(NC[C@H]2CCC[C@@H](C)O2)[nH+]1 ZINC000631368262 411944823 /nfs/dbraw/zinc/94/48/23/411944823.db2.gz AOXDBKGIDXXIDG-VXNVDRBHSA-N 1 2 237.307 0.554 20 0 BCADLO Cc1nc(NC[C@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000631363702 411945350 /nfs/dbraw/zinc/94/53/50/411945350.db2.gz AKVZNTNDXVHDND-SECBINFHSA-N 1 2 237.307 0.005 20 0 BCADLO Cc1nc(N)nc(NC[C@H](CO)CC2CC2)[nH+]1 ZINC000631363702 411945352 /nfs/dbraw/zinc/94/53/52/411945352.db2.gz AKVZNTNDXVHDND-SECBINFHSA-N 1 2 237.307 0.005 20 0 BCADLO Nc1cc2c(nn1)CC[N@H+](Cc1cncs1)C2 ZINC000371376049 411948604 /nfs/dbraw/zinc/94/86/04/411948604.db2.gz WZFQYOMCXNJKTG-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BCADLO Nc1cc2c(nn1)CC[N@@H+](Cc1cncs1)C2 ZINC000371376049 411948610 /nfs/dbraw/zinc/94/86/10/411948610.db2.gz WZFQYOMCXNJKTG-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BCADLO Cc1cc(C[N@@H+]2CCc3cnc(N)nc3C2)on1 ZINC000623292215 411952407 /nfs/dbraw/zinc/95/24/07/411952407.db2.gz GFZYWZJSKUVIDY-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cc1cc(C[N@H+]2CCc3cnc(N)nc3C2)on1 ZINC000623292215 411952410 /nfs/dbraw/zinc/95/24/10/411952410.db2.gz GFZYWZJSKUVIDY-UHFFFAOYSA-N 1 2 245.286 0.914 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1COC1 ZINC000528227260 411957974 /nfs/dbraw/zinc/95/79/74/411957974.db2.gz MVKMSUGHWSCUMD-UHFFFAOYSA-N 1 2 234.263 0.004 20 0 BCADLO Cn1ncc2c1nc(N)[nH+]c2NCC1(C)CC1 ZINC000563426463 411958767 /nfs/dbraw/zinc/95/87/67/411958767.db2.gz MUJGTSXIEOUCLD-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BCADLO C[C@H](NC(=O)c1cnns1)c1[nH+]ccn1C ZINC000664454782 411961744 /nfs/dbraw/zinc/96/17/44/411961744.db2.gz ONJLDRABWMBVNR-LURJTMIESA-N 1 2 237.288 0.763 20 0 BCADLO Cc1cc(NC[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000664455546 411962763 /nfs/dbraw/zinc/96/27/63/411962763.db2.gz BRXHDSBJNQFDQR-SECBINFHSA-N 1 2 220.276 0.675 20 0 BCADLO Cc1nc(N2CC[C@H](n3cccn3)C2)nc(N)[nH+]1 ZINC000631279862 411963348 /nfs/dbraw/zinc/96/33/48/411963348.db2.gz UVMGIFGVAXNVQH-VIFPVBQESA-N 1 2 245.290 0.410 20 0 BCADLO Cc1nc(N)nc(N2CC[C@H](n3cccn3)C2)[nH+]1 ZINC000631279862 411963353 /nfs/dbraw/zinc/96/33/53/411963353.db2.gz UVMGIFGVAXNVQH-VIFPVBQESA-N 1 2 245.290 0.410 20 0 BCADLO Cc1nc(N2CCCOC(C)(C)C2)nc(N)[nH+]1 ZINC000383851333 411963478 /nfs/dbraw/zinc/96/34/78/411963478.db2.gz MBRNOCNEOQIBSN-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(N)nc(N2CCCOC(C)(C)C2)[nH+]1 ZINC000383851333 411963481 /nfs/dbraw/zinc/96/34/81/411963481.db2.gz MBRNOCNEOQIBSN-UHFFFAOYSA-N 1 2 237.307 0.768 20 0 BCADLO Cc1nc(N2CC[C@@H](C)[C@H](F)C2)nc(N)[nH+]1 ZINC000631196273 411963610 /nfs/dbraw/zinc/96/36/10/411963610.db2.gz JVCMPRLJNWLUQY-HTRCEHHLSA-N 1 2 225.271 0.947 20 0 BCADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@H](F)C2)[nH+]1 ZINC000631196273 411963614 /nfs/dbraw/zinc/96/36/14/411963614.db2.gz JVCMPRLJNWLUQY-HTRCEHHLSA-N 1 2 225.271 0.947 20 0 BCADLO C[NH2+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662247081 412044541 /nfs/dbraw/zinc/04/45/41/412044541.db2.gz YQPAXXHAWLXYAX-GFCCVEGCSA-N 1 2 239.363 0.191 20 0 BCADLO CC[C@@H]1CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000336356493 171019878 /nfs/dbraw/zinc/01/98/78/171019878.db2.gz DKMWPSCYFMSTHF-VXGBXAGGSA-N 1 2 239.363 0.633 20 0 BCADLO CC[C@@H]1CC[C@H]1[NH2+][C@H](COC)C(=O)OC ZINC000309167519 171060305 /nfs/dbraw/zinc/06/03/05/171060305.db2.gz JTKDNSXCVMFAME-OPRDCNLKSA-N 1 2 215.293 0.953 20 0 BCADLO CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000330764448 171063493 /nfs/dbraw/zinc/06/34/93/171063493.db2.gz RMUQSUTZXBAGFO-ZJUUUORDSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000339077268 171077040 /nfs/dbraw/zinc/07/70/40/171077040.db2.gz IOJZMIXQTNLXPR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CCO1 ZINC000339077268 171077043 /nfs/dbraw/zinc/07/70/43/171077043.db2.gz IOJZMIXQTNLXPR-GFCCVEGCSA-N 1 2 240.347 0.966 20 0 BCADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2C)C[C@@H]1O ZINC000271335801 171089578 /nfs/dbraw/zinc/08/95/78/171089578.db2.gz NROUQUOTGQYUJK-KOLCDFICSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@@H]1O ZINC000271335801 171089581 /nfs/dbraw/zinc/08/95/81/171089581.db2.gz NROUQUOTGQYUJK-KOLCDFICSA-N 1 2 209.293 0.921 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336463797 171096724 /nfs/dbraw/zinc/09/67/24/171096724.db2.gz CONAZVSGPUFHAT-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336463797 171096726 /nfs/dbraw/zinc/09/67/26/171096726.db2.gz CONAZVSGPUFHAT-NXEZZACHSA-N 1 2 212.293 0.376 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H](C)O1 ZINC000336648250 171097038 /nfs/dbraw/zinc/09/70/38/171097038.db2.gz OIPONOMBCPOJNN-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H](C)O1 ZINC000336648250 171097041 /nfs/dbraw/zinc/09/70/41/171097041.db2.gz OIPONOMBCPOJNN-BBBLOLIVSA-N 1 2 212.293 0.374 20 0 BCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)CC ZINC000360251998 171106516 /nfs/dbraw/zinc/10/65/16/171106516.db2.gz UVPPKLBGBKMKEI-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)CC ZINC000360251998 171106518 /nfs/dbraw/zinc/10/65/18/171106518.db2.gz UVPPKLBGBKMKEI-SNVBAGLBSA-N 1 2 214.309 0.576 20 0 BCADLO CC[C@@](C)(CO)NC(=O)CCc1c[nH+]cn1C ZINC000331045400 171168847 /nfs/dbraw/zinc/16/88/47/171168847.db2.gz FLTNGFCTIZZLNB-LBPRGKRZSA-N 1 2 239.319 0.630 20 0 BCADLO CC[C@@](C)([NH2+]Cc1nnc(C)s1)C(N)=O ZINC000336725302 171175535 /nfs/dbraw/zinc/17/55/35/171175535.db2.gz GDDBFIQSUJBTJR-SECBINFHSA-N 1 2 228.321 0.590 20 0 BCADLO CC[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276625976 171179885 /nfs/dbraw/zinc/17/98/85/171179885.db2.gz RUZQBGUCHQESHK-SGUJLRQBSA-N 1 2 223.276 0.700 20 0 BCADLO CC[C@H](C(=O)NCCCn1cc[nH+]c1)[C@H](C)O ZINC000357310497 171228579 /nfs/dbraw/zinc/22/85/79/171228579.db2.gz VSSKTRJCDRNSFO-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(=O)OC ZINC000338817918 171228597 /nfs/dbraw/zinc/22/85/97/171228597.db2.gz VVPOVMLQVCDAII-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CC[C@H](C(=O)OC)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698842 171240437 /nfs/dbraw/zinc/24/04/37/171240437.db2.gz NTTBDVVAZSLARU-RKDXNWHRSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352698842 171240439 /nfs/dbraw/zinc/24/04/39/171240439.db2.gz NTTBDVVAZSLARU-RKDXNWHRSA-N 1 2 228.292 0.101 20 0 BCADLO CC[C@H](C(N)=O)N(C)Cc1[nH+]ccn1C ZINC000062255947 171243474 /nfs/dbraw/zinc/24/34/74/171243474.db2.gz RNZIPWZUBCDCMP-MRVPVSSYSA-N 1 2 210.281 0.116 20 0 BCADLO CC[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000339326566 171251036 /nfs/dbraw/zinc/25/10/36/171251036.db2.gz JEUUOPRMCXYOLE-NWDGAFQWSA-N 1 2 241.379 0.785 20 0 BCADLO CC[C@H](C)C[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000336725954 171286539 /nfs/dbraw/zinc/28/65/39/171286539.db2.gz GOJLLTSTNKGTER-ONGXEEELSA-N 1 2 215.293 0.954 20 0 BCADLO CC[C@H](C)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000181131164 171318529 /nfs/dbraw/zinc/31/85/29/171318529.db2.gz DUWRYJLBQPGJGN-JTQLQIEISA-N 1 2 236.319 0.867 20 0 BCADLO CC[C@H](C)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000181131164 171318531 /nfs/dbraw/zinc/31/85/31/171318531.db2.gz DUWRYJLBQPGJGN-JTQLQIEISA-N 1 2 236.319 0.867 20 0 BCADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287061103 171332799 /nfs/dbraw/zinc/33/27/99/171332799.db2.gz AUWMHUUSMAJUAV-DTWKUNHWSA-N 1 2 239.323 0.208 20 0 BCADLO CN(Cc1cc(=O)n2[nH]ccc2n1)CC(C)(C)[NH3+] ZINC000662292403 412081347 /nfs/dbraw/zinc/08/13/47/412081347.db2.gz HABAFZHCAJDKKA-UHFFFAOYSA-N 1 2 249.318 0.192 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000268655674 171376563 /nfs/dbraw/zinc/37/65/63/171376563.db2.gz XEIWKRIHKAVUKV-QWRGUYRKSA-N 1 2 239.319 0.796 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000355013986 171376928 /nfs/dbraw/zinc/37/69/28/171376928.db2.gz JNTXFMWYCJCHPE-UWVGGRQHSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]CCCO)C(=O)OC ZINC000123814268 171399324 /nfs/dbraw/zinc/39/93/24/171399324.db2.gz YMCOUEWMWPCSAA-IUCAKERBSA-N 1 2 203.282 0.546 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@@H](O)C1CC1 ZINC000665106214 412096783 /nfs/dbraw/zinc/09/67/83/412096783.db2.gz WYMLLLLQLZRQDP-JTQLQIEISA-N 1 2 223.276 0.160 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)[C@H](O)C1CC1 ZINC000665106215 412097041 /nfs/dbraw/zinc/09/70/41/412097041.db2.gz WYMLLLLQLZRQDP-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO COCC1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCCC1 ZINC000662341244 412110150 /nfs/dbraw/zinc/11/01/50/412110150.db2.gz NKBICTAVFGYMHY-UHFFFAOYSA-N 1 2 240.307 0.949 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)[C@H]1C ZINC000645218203 412132628 /nfs/dbraw/zinc/13/26/28/412132628.db2.gz WZLFMPBRUKXDIT-SFYZADRCSA-N 1 2 209.249 0.953 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)[C@H]1C ZINC000645218203 412132631 /nfs/dbraw/zinc/13/26/31/412132631.db2.gz WZLFMPBRUKXDIT-SFYZADRCSA-N 1 2 209.249 0.953 20 0 BCADLO Cn1ccnc(NCC(C)(C)n2cc[nH+]c2)c1=O ZINC000631368381 412134771 /nfs/dbraw/zinc/13/47/71/412134771.db2.gz HKVANLFZHIBKOP-UHFFFAOYSA-N 1 2 247.302 0.824 20 0 BCADLO C[C@@H]1C[N@H+](CCNc2ncc(F)cn2)CCO1 ZINC000533010033 412134918 /nfs/dbraw/zinc/13/49/18/412134918.db2.gz OEAIENUFVKLUAN-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@@H]1C[N@@H+](CCNc2ncc(F)cn2)CCO1 ZINC000533010033 412134919 /nfs/dbraw/zinc/13/49/19/412134919.db2.gz OEAIENUFVKLUAN-SECBINFHSA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H](C(=O)Nc1ccn(C)n1)[NH+]1CC(C)C1 ZINC000574097717 412190358 /nfs/dbraw/zinc/19/03/58/412190358.db2.gz FHDXINPLTRJUJP-SECBINFHSA-N 1 2 222.292 0.699 20 0 BCADLO Cn1ncc2c1nc(NCC(C)(F)F)[nH+]c2N ZINC000558949210 412193083 /nfs/dbraw/zinc/19/30/83/412193083.db2.gz IELSLBDKKSGGJZ-UHFFFAOYSA-N 1 2 242.233 1.013 20 0 BCADLO Cn1ncc2c1nc(NC[C@H]1C[C@@H](O)C1)[nH+]c2N ZINC000624666755 412193479 /nfs/dbraw/zinc/19/34/79/412193479.db2.gz PNIXGNRDEUAXTP-LJGSYFOKSA-N 1 2 248.290 0.128 20 0 BCADLO CN(C)c1ccc(NCc2cnccn2)[nH+]c1 ZINC000583738585 412197374 /nfs/dbraw/zinc/19/73/74/412197374.db2.gz PSPXSHQTFVTKGX-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BCADLO Cn1nnc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000362858057 412199815 /nfs/dbraw/zinc/19/98/15/412199815.db2.gz ZQLDHFZXUXRVDV-UHFFFAOYSA-N 1 2 240.270 1.370 20 0 BCADLO C[C@H](CO)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000361781267 412208873 /nfs/dbraw/zinc/20/88/73/412208873.db2.gz NKGWPVGSIRUUOO-JTQLQIEISA-N 1 2 232.287 1.308 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1cc(C2CC2)[nH]n1 ZINC000577312044 412160707 /nfs/dbraw/zinc/16/07/07/412160707.db2.gz BSXDSCGNIFZSGT-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BCADLO Cc1c(NC(=O)[C@@H](C)[NH3+])[nH]nc1-c1ccncc1 ZINC000370778905 412287223 /nfs/dbraw/zinc/28/72/23/412287223.db2.gz IFWUNNHRDKCZMC-MRVPVSSYSA-N 1 2 245.286 1.066 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@@H]2CC23CC3)[nH+]cn1 ZINC000572977417 412249402 /nfs/dbraw/zinc/24/94/02/412249402.db2.gz UMXFLGUQDDVHMH-UWVGGRQHSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@H](O)CNc1cc(NC[C@@H]2CC23CC3)nc[nH+]1 ZINC000572977417 412249405 /nfs/dbraw/zinc/24/94/05/412249405.db2.gz UMXFLGUQDDVHMH-UWVGGRQHSA-N 1 2 248.330 1.481 20 0 BCADLO C[C@H](O)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450210106 412249568 /nfs/dbraw/zinc/24/95/68/412249568.db2.gz DIIWZMBKHLFYLI-VIFPVBQESA-N 1 2 246.314 1.489 20 0 BCADLO C[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000414098970 412249642 /nfs/dbraw/zinc/24/96/42/412249642.db2.gz KBXILQBZDDLYAS-VIFPVBQESA-N 1 2 235.287 0.821 20 0 BCADLO C[C@H](O)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000360467479 412250414 /nfs/dbraw/zinc/25/04/14/412250414.db2.gz QYHFRFBIGYIVDV-JTQLQIEISA-N 1 2 232.287 1.450 20 0 BCADLO CNc1cc2c(nn1)CC[N@H+](Cc1ncc[nH]1)C2 ZINC000600643016 412306735 /nfs/dbraw/zinc/30/67/35/412306735.db2.gz CMLPIRGBVZVRHW-UHFFFAOYSA-N 1 2 244.302 0.800 20 0 BCADLO CNc1cc2c(nn1)CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000600643016 412306737 /nfs/dbraw/zinc/30/67/37/412306737.db2.gz CMLPIRGBVZVRHW-UHFFFAOYSA-N 1 2 244.302 0.800 20 0 BCADLO O=C(C[NH+]1C2CCC1CC2)Nc1ccon1 ZINC000648212418 412313469 /nfs/dbraw/zinc/31/34/69/412313469.db2.gz YUZUUKWZYFKCAT-UHFFFAOYSA-N 1 2 221.260 1.240 20 0 BCADLO Cc1cc(C)nc(NC[C@H]2COCC[N@H+]2C)n1 ZINC000624619246 412317539 /nfs/dbraw/zinc/31/75/39/412317539.db2.gz YODAFMMOCZEWAO-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO Cc1cc(C)nc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000624619246 412317543 /nfs/dbraw/zinc/31/75/43/412317543.db2.gz YODAFMMOCZEWAO-NSHDSACASA-N 1 2 236.319 0.836 20 0 BCADLO CC(C)c1nc(NC[C@H]2COCCO2)cc[nH+]1 ZINC000599534164 412322575 /nfs/dbraw/zinc/32/25/75/412322575.db2.gz SDXLXWXCCRPVCF-JTQLQIEISA-N 1 2 237.303 1.427 20 0 BCADLO CC(C)c1nnc(NC[C@H]2COCC[N@@H+]2C)o1 ZINC000624622361 412323855 /nfs/dbraw/zinc/32/38/55/412323855.db2.gz XJSNGNIRLGLQMJ-VIFPVBQESA-N 1 2 240.307 0.936 20 0 BCADLO CC(C)c1nnc(NC[C@H]2COCC[N@H+]2C)o1 ZINC000624622361 412323858 /nfs/dbraw/zinc/32/38/58/412323858.db2.gz XJSNGNIRLGLQMJ-VIFPVBQESA-N 1 2 240.307 0.936 20 0 BCADLO CC(C)n1ccc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000570948089 412326888 /nfs/dbraw/zinc/32/68/88/412326888.db2.gz VPGVVCBXSSSYIG-UHFFFAOYSA-N 1 2 247.302 1.379 20 0 BCADLO CC/C=C\CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000450699197 412327861 /nfs/dbraw/zinc/32/78/61/412327861.db2.gz XILQHAFFVXNBMH-PLNGDYQASA-N 1 2 232.291 1.324 20 0 BCADLO CC1(C)C[NH+](CC(=O)Nc2cc[nH]n2)C1 ZINC000646753277 412330650 /nfs/dbraw/zinc/33/06/50/412330650.db2.gz QFVWUMDWSBZKDT-UHFFFAOYSA-N 1 2 208.265 0.690 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H](O)C1CC1 ZINC000665475261 412333638 /nfs/dbraw/zinc/33/36/38/412333638.db2.gz RSDPTRZFFRQUBH-JTQLQIEISA-N 1 2 223.276 0.149 20 0 BCADLO Cc1[nH][nH]c(=O)c1CCNc1nc(C)[nH+]cc1C ZINC000580783533 412334247 /nfs/dbraw/zinc/33/42/47/412334247.db2.gz JHIUEHDYJREOKJ-SNVBAGLBSA-N 1 2 247.302 1.017 20 0 BCADLO O=C(NCc1[nH]cc[nH+]1)Nc1nncs1 ZINC000351952020 412339844 /nfs/dbraw/zinc/33/98/44/412339844.db2.gz QDLHKMNSYPUHES-UHFFFAOYSA-N 1 2 224.249 0.583 20 0 BCADLO COC(=O)c1coc(CNc2cc(C)[nH+]cn2)n1 ZINC000593506016 412350290 /nfs/dbraw/zinc/35/02/90/412350290.db2.gz YCRFTHXOCMNHQZ-UHFFFAOYSA-N 1 2 248.242 1.172 20 0 BCADLO COC(=O)c1nccnc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000596238297 412352332 /nfs/dbraw/zinc/35/23/32/412352332.db2.gz ORMVRVZPYYDYGM-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BCADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)nn1C ZINC000563216658 412359593 /nfs/dbraw/zinc/35/95/93/412359593.db2.gz IHKRBRVTVDYWNA-JTQLQIEISA-N 1 2 247.302 1.515 20 0 BCADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000548519307 412360445 /nfs/dbraw/zinc/36/04/45/412360445.db2.gz YQRHWEGPRWUONW-UHFFFAOYSA-N 1 2 219.248 0.633 20 0 BCADLO Cc1c[nH]nc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368023852 412299698 /nfs/dbraw/zinc/29/96/98/412299698.db2.gz BRAKYUIJHLOQSX-MRVPVSSYSA-N 1 2 245.286 1.500 20 0 BCADLO Nc1[nH+]cnc(NCC2COC2)c1Cl ZINC000528226212 412303913 /nfs/dbraw/zinc/30/39/13/412303913.db2.gz PTIBESAQDQSRII-UHFFFAOYSA-N 1 2 214.656 0.771 20 0 BCADLO Nc1nc[nH+]c(NCC2COC2)c1Cl ZINC000528226212 412303918 /nfs/dbraw/zinc/30/39/18/412303918.db2.gz PTIBESAQDQSRII-UHFFFAOYSA-N 1 2 214.656 0.771 20 0 BCADLO CNc1nc(N2CC(CO)C2)[nH+]c2ccccc21 ZINC000450444568 412304618 /nfs/dbraw/zinc/30/46/18/412304618.db2.gz ZCPLVNGKVDRXFG-UHFFFAOYSA-N 1 2 244.298 1.100 20 0 BCADLO CNc1nc(N(C)CC(N)=O)[nH+]c2ccccc21 ZINC000450259454 412304741 /nfs/dbraw/zinc/30/47/41/412304741.db2.gz WPHRPKSCKVHGEU-UHFFFAOYSA-N 1 2 245.286 0.593 20 0 BCADLO Cc1nc(=NCc2c[nH+]c3n2CCC3)n(C)[nH]1 ZINC000663255171 412402330 /nfs/dbraw/zinc/40/23/30/412402330.db2.gz BYCFTZLJVVWRTL-UHFFFAOYSA-N 1 2 232.291 0.300 20 0 BCADLO CCc1nn(C)c(CC)c1C[N@H+](C)CC(N)=O ZINC000271048018 172037183 /nfs/dbraw/zinc/03/71/83/172037183.db2.gz NDZCYGBKKSBOJT-UHFFFAOYSA-N 1 2 238.335 0.462 20 0 BCADLO CCc1nn(C)c(CC)c1C[N@@H+](C)CC(N)=O ZINC000271048018 172037185 /nfs/dbraw/zinc/03/71/85/172037185.db2.gz NDZCYGBKKSBOJT-UHFFFAOYSA-N 1 2 238.335 0.462 20 0 BCADLO CCc1nnc(C[N@H+](C)C[C@H](C)C(=O)OC)o1 ZINC000048335709 172048649 /nfs/dbraw/zinc/04/86/49/172048649.db2.gz ODSNQQIZTSHSMJ-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nnc(C[N@@H+](C)C[C@H](C)C(=O)OC)o1 ZINC000048335709 172048651 /nfs/dbraw/zinc/04/86/51/172048651.db2.gz ODSNQQIZTSHSMJ-QMMMGPOBSA-N 1 2 241.291 0.873 20 0 BCADLO CCc1nnc(C[N@H+](CCOC)C2CC2)n1C ZINC000336700613 172048682 /nfs/dbraw/zinc/04/86/82/172048682.db2.gz LIEBYTXOHOAVQX-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO CCc1nnc(C[N@@H+](CCOC)C2CC2)n1C ZINC000336700613 172048684 /nfs/dbraw/zinc/04/86/84/172048684.db2.gz LIEBYTXOHOAVQX-UHFFFAOYSA-N 1 2 238.335 0.988 20 0 BCADLO CCc1nnc(C[N@H+](C)CC2(O)CCC2)o1 ZINC000353501619 172048847 /nfs/dbraw/zinc/04/88/47/172048847.db2.gz ZYZQGSIKKNFZRA-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+](C)CC2(O)CCC2)o1 ZINC000353501619 172048848 /nfs/dbraw/zinc/04/88/48/172048848.db2.gz ZYZQGSIKKNFZRA-UHFFFAOYSA-N 1 2 225.292 0.979 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)o1 ZINC000351815449 172050303 /nfs/dbraw/zinc/05/03/03/172050303.db2.gz MKIWFOVPIXIXOA-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)o1 ZINC000351815449 172050304 /nfs/dbraw/zinc/05/03/04/172050304.db2.gz MKIWFOVPIXIXOA-SFYZADRCSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)o1 ZINC000351815448 172051091 /nfs/dbraw/zinc/05/10/91/172051091.db2.gz MKIWFOVPIXIXOA-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)o1 ZINC000351815448 172051094 /nfs/dbraw/zinc/05/10/94/172051094.db2.gz MKIWFOVPIXIXOA-JGVFFNPUSA-N 1 2 211.265 0.445 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2CSC[NH2+]2)s1 ZINC000224054891 172057532 /nfs/dbraw/zinc/05/75/32/172057532.db2.gz ZQUNGFUXUXPMTM-YFKPBYRVSA-N 1 2 244.345 0.702 20 0 BCADLO CCc1nnc(NC(=O)[C@@H]2COCC[NH2+]2)s1 ZINC000150690179 172058258 /nfs/dbraw/zinc/05/82/58/172058258.db2.gz AVKLLGFMEGLUTA-LURJTMIESA-N 1 2 242.304 0.027 20 0 BCADLO CCc1nnc([C@@H](C)[N@H+](C)CCOCCO)o1 ZINC000337491564 172064198 /nfs/dbraw/zinc/06/41/98/172064198.db2.gz OCSUWFYSXZOHRE-SECBINFHSA-N 1 2 243.307 0.634 20 0 BCADLO CCc1nnc([C@@H](C)[N@@H+](C)CCOCCO)o1 ZINC000337491564 172064199 /nfs/dbraw/zinc/06/41/99/172064199.db2.gz OCSUWFYSXZOHRE-SECBINFHSA-N 1 2 243.307 0.634 20 0 BCADLO CCc1noc(C)c1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000268159712 172077628 /nfs/dbraw/zinc/07/76/28/172077628.db2.gz OIHSISZKXQJTRD-SNVBAGLBSA-N 1 2 240.303 0.739 20 0 BCADLO CCc1noc(C)c1C[N@H+]1CCO[C@@H](CO)C1 ZINC000268159712 172077629 /nfs/dbraw/zinc/07/76/29/172077629.db2.gz OIHSISZKXQJTRD-SNVBAGLBSA-N 1 2 240.303 0.739 20 0 BCADLO CCc1nocc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000293310129 172096393 /nfs/dbraw/zinc/09/63/93/172096393.db2.gz FKDZBQLGWCNNAA-ZETCQYMHSA-N 1 2 211.265 0.543 20 0 BCADLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000293310129 172096397 /nfs/dbraw/zinc/09/63/97/172096397.db2.gz FKDZBQLGWCNNAA-ZETCQYMHSA-N 1 2 211.265 0.543 20 0 BCADLO CCc1nocc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000353136949 172098832 /nfs/dbraw/zinc/09/88/32/172098832.db2.gz KZVCSEDSGVMIBR-KOLCDFICSA-N 1 2 240.303 0.819 20 0 BCADLO CCc1nocc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000353136949 172098834 /nfs/dbraw/zinc/09/88/34/172098834.db2.gz KZVCSEDSGVMIBR-KOLCDFICSA-N 1 2 240.303 0.819 20 0 BCADLO CCn1c(C)nnc1C[N@H+](C)C[C@@H](C)O ZINC000304271074 172138703 /nfs/dbraw/zinc/13/87/03/172138703.db2.gz FDDXSIRVAGABCP-MRVPVSSYSA-N 1 2 212.297 0.419 20 0 BCADLO CCn1c(C)nnc1C[N@@H+](C)C[C@@H](C)O ZINC000304271074 172138704 /nfs/dbraw/zinc/13/87/04/172138704.db2.gz FDDXSIRVAGABCP-MRVPVSSYSA-N 1 2 212.297 0.419 20 0 BCADLO CCn1c(C)nnc1C[NH2+][C@](C)(CC)C(N)=O ZINC000358619998 172140331 /nfs/dbraw/zinc/14/03/31/172140331.db2.gz JJWDUXHOUGWPGU-LLVKDONJSA-N 1 2 239.323 0.350 20 0 BCADLO CCn1cc(C(=O)C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000340155694 172151744 /nfs/dbraw/zinc/15/17/44/172151744.db2.gz ZZSQWMLSILWFTF-UHFFFAOYSA-N 1 2 247.258 0.125 20 0 BCADLO CCn1cc(C(=O)C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000340155694 172151747 /nfs/dbraw/zinc/15/17/47/172151747.db2.gz ZZSQWMLSILWFTF-UHFFFAOYSA-N 1 2 247.258 0.125 20 0 BCADLO CCn1cc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000329946173 172164344 /nfs/dbraw/zinc/16/43/44/172164344.db2.gz GEUACTGAIVEAEZ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000329946173 172164346 /nfs/dbraw/zinc/16/43/46/172164346.db2.gz GEUACTGAIVEAEZ-UHFFFAOYSA-N 1 2 232.291 0.510 20 0 BCADLO CCn1cc(C[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000088094194 172165341 /nfs/dbraw/zinc/16/53/41/172165341.db2.gz GPAUWBRDVLMKGC-LLVKDONJSA-N 1 2 225.292 0.096 20 0 BCADLO CCn1cc(C[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000088094194 172165343 /nfs/dbraw/zinc/16/53/43/172165343.db2.gz GPAUWBRDVLMKGC-LLVKDONJSA-N 1 2 225.292 0.096 20 0 BCADLO CCn1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338997690 172165528 /nfs/dbraw/zinc/16/55/28/172165528.db2.gz KUYPYSWHQLEPGZ-NSHDSACASA-N 1 2 227.283 0.809 20 0 BCADLO CCn1cc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338997690 172165530 /nfs/dbraw/zinc/16/55/30/172165530.db2.gz KUYPYSWHQLEPGZ-NSHDSACASA-N 1 2 227.283 0.809 20 0 BCADLO CCn1cc[nH+]c1CNS(=O)(=O)NC(C)C ZINC000295543104 172224367 /nfs/dbraw/zinc/22/43/67/172224367.db2.gz RKDCCLSYMYGBMY-UHFFFAOYSA-N 1 2 246.336 0.235 20 0 BCADLO CCn1cnnc1NC(=O)Cn1cc[nH+]c1 ZINC000356181525 172238413 /nfs/dbraw/zinc/23/84/13/172238413.db2.gz RGLGBAFSZCCODB-UHFFFAOYSA-N 1 2 220.236 0.133 20 0 BCADLO CCn1nccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327469 172260147 /nfs/dbraw/zinc/26/01/47/172260147.db2.gz GACAXJBXRHATIF-NWDGAFQWSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1nccc1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368327469 172260150 /nfs/dbraw/zinc/26/01/50/172260150.db2.gz GACAXJBXRHATIF-NWDGAFQWSA-N 1 2 221.304 0.919 20 0 BCADLO CCn1nccc1CN(CCO)Cc1c[nH+]c[nH]1 ZINC000355478118 172266475 /nfs/dbraw/zinc/26/64/75/172266475.db2.gz WFMVBYWAJNGVKA-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CCn1nccc1CN(CCO)Cc1c[nH]c[nH+]1 ZINC000355478118 172266478 /nfs/dbraw/zinc/26/64/78/172266478.db2.gz WFMVBYWAJNGVKA-UHFFFAOYSA-N 1 2 249.318 0.621 20 0 BCADLO CCn1nccc1C[N@@H+](CC(N)=O)CC(C)C ZINC000122327157 172267523 /nfs/dbraw/zinc/26/75/23/172267523.db2.gz UDQJZIURCKGKOD-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CCn1nccc1C[N@H+](CC(N)=O)CC(C)C ZINC000122327157 172267526 /nfs/dbraw/zinc/26/75/26/172267526.db2.gz UDQJZIURCKGKOD-UHFFFAOYSA-N 1 2 238.335 0.846 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352668517 172278296 /nfs/dbraw/zinc/27/82/96/172278296.db2.gz SLFWSCIWPFSPSB-VHSXEESVSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352668517 172278298 /nfs/dbraw/zinc/27/82/98/172278298.db2.gz SLFWSCIWPFSPSB-VHSXEESVSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+](CCO)CC1CC1 ZINC000352492091 172278518 /nfs/dbraw/zinc/27/85/18/172278518.db2.gz VMVBZSJFFPZSCS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@@H+](CCO)CC1CC1 ZINC000352492091 172278520 /nfs/dbraw/zinc/27/85/20/172278520.db2.gz VMVBZSJFFPZSCS-UHFFFAOYSA-N 1 2 224.308 0.502 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668518 172278983 /nfs/dbraw/zinc/27/89/83/172278983.db2.gz SLFWSCIWPFSPSB-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668518 172278985 /nfs/dbraw/zinc/27/89/85/172278985.db2.gz SLFWSCIWPFSPSB-ZJUUUORDSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668516 172279293 /nfs/dbraw/zinc/27/92/93/172279293.db2.gz SLFWSCIWPFSPSB-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668516 172279295 /nfs/dbraw/zinc/27/92/95/172279295.db2.gz SLFWSCIWPFSPSB-UWVGGRQHSA-N 1 2 224.308 0.643 20 0 BCADLO CCn1ncnc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000331095562 172279385 /nfs/dbraw/zinc/27/93/85/172279385.db2.gz BJPUKYPEGRRFIJ-SNVBAGLBSA-N 1 2 226.324 0.889 20 0 BCADLO CCn1ncnc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000331095562 172279387 /nfs/dbraw/zinc/27/93/87/172279387.db2.gz BJPUKYPEGRRFIJ-SNVBAGLBSA-N 1 2 226.324 0.889 20 0 BCADLO CCn1ncnc1C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000332629634 172280227 /nfs/dbraw/zinc/28/02/27/172280227.db2.gz HYBJWKYHKILHCT-AOOOYVTPSA-N 1 2 240.307 0.144 20 0 BCADLO CCn1ncnc1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000332629634 172280228 /nfs/dbraw/zinc/28/02/28/172280228.db2.gz HYBJWKYHKILHCT-AOOOYVTPSA-N 1 2 240.307 0.144 20 0 BCADLO CCn1ncnc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336775480 172284256 /nfs/dbraw/zinc/28/42/56/172284256.db2.gz ZEFKGOPRBTUBPE-UWVGGRQHSA-N 1 2 223.324 0.338 20 0 BCADLO CN(C(=O)[C@H]1CCC[N@@H+]1C)c1nncs1 ZINC000361285557 172333594 /nfs/dbraw/zinc/33/35/94/172333594.db2.gz DMZAVSGZIRELJD-SSDOTTSWSA-N 1 2 226.305 0.595 20 0 BCADLO CN(C(=O)[C@H]1CCC[N@H+]1C)c1nncs1 ZINC000361285557 172333595 /nfs/dbraw/zinc/33/35/95/172333595.db2.gz DMZAVSGZIRELJD-SSDOTTSWSA-N 1 2 226.305 0.595 20 0 BCADLO CN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000335947189 172354526 /nfs/dbraw/zinc/35/45/26/172354526.db2.gz MEDSULOBMFXWOD-UHFFFAOYSA-N 1 2 212.293 0.330 20 0 BCADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1nccn1C ZINC000378371653 172365816 /nfs/dbraw/zinc/36/58/16/172365816.db2.gz SLHRQUKBFJKHMM-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1nccn1C ZINC000378371653 172365819 /nfs/dbraw/zinc/36/58/19/172365819.db2.gz SLHRQUKBFJKHMM-SNVBAGLBSA-N 1 2 236.319 0.645 20 0 BCADLO CN(C)C(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000263649169 172371623 /nfs/dbraw/zinc/37/16/23/172371623.db2.gz BHFSCGRGBLAUPG-ZDUSSCGKSA-N 1 2 249.314 0.065 20 0 BCADLO CN(C)C(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110115050 172371904 /nfs/dbraw/zinc/37/19/04/172371904.db2.gz QSYAUEFRFFLFEU-UHFFFAOYSA-N 1 2 220.276 0.854 20 0 BCADLO CN(C)C(=O)CNc1nc[nH+]c(N)c1Cl ZINC000234215376 172373343 /nfs/dbraw/zinc/37/33/43/172373343.db2.gz WBRBZRGBEJIINW-UHFFFAOYSA-N 1 2 229.671 0.212 20 0 BCADLO CN(C)C(=O)CNc1[nH+]cnc(N)c1Cl ZINC000234215376 172373345 /nfs/dbraw/zinc/37/33/45/172373345.db2.gz WBRBZRGBEJIINW-UHFFFAOYSA-N 1 2 229.671 0.212 20 0 BCADLO CN(C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000082348246 172377329 /nfs/dbraw/zinc/37/73/29/172377329.db2.gz RPJCWADSDDYUSR-UHFFFAOYSA-N 1 2 248.330 0.881 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000295113696 172382704 /nfs/dbraw/zinc/38/27/04/172382704.db2.gz MCNJZLWXDAFCOR-JTQLQIEISA-N 1 2 238.291 0.682 20 0 BCADLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000295113696 172382706 /nfs/dbraw/zinc/38/27/06/172382706.db2.gz MCNJZLWXDAFCOR-JTQLQIEISA-N 1 2 238.291 0.682 20 0 BCADLO CN(C)[C@@H](C(=O)NCC1CC1)c1c[nH+]cn1C ZINC000280739034 172519603 /nfs/dbraw/zinc/51/96/03/172519603.db2.gz JGUFUDWVPRDTNB-LLVKDONJSA-N 1 2 236.319 0.549 20 0 BCADLO C[N@H+](CCOCCO)Cc1ccn(C(F)F)n1 ZINC000337533220 172770157 /nfs/dbraw/zinc/77/01/57/172770157.db2.gz GEQDRNIUUSIHOA-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO C[N@@H+](CCOCCO)Cc1ccn(C(F)F)n1 ZINC000337533220 172770162 /nfs/dbraw/zinc/77/01/62/172770162.db2.gz GEQDRNIUUSIHOA-UHFFFAOYSA-N 1 2 249.261 0.719 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)c1cn[nH]c1 ZINC000037842084 172931524 /nfs/dbraw/zinc/93/15/24/172931524.db2.gz LFMSXUODWPZCNZ-UHFFFAOYSA-N 1 2 219.248 0.415 20 0 BCADLO CN1CCC[N@H+](Cc2ccnc(N)c2)CC1=O ZINC000310047828 173016108 /nfs/dbraw/zinc/01/61/08/173016108.db2.gz AOGGPFJRJPIPNO-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO CN1CCC[N@@H+](Cc2ccnc(N)c2)CC1=O ZINC000310047828 173016109 /nfs/dbraw/zinc/01/61/09/173016109.db2.gz AOGGPFJRJPIPNO-UHFFFAOYSA-N 1 2 234.303 0.328 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)C[C@H]1CCC[N@H+](C)C1 ZINC000340886365 173042800 /nfs/dbraw/zinc/04/28/00/173042800.db2.gz FPQXVIYQYRZMTK-VIFPVBQESA-N 1 2 239.323 0.284 20 0 BCADLO CN(Cc1n[nH]c(=O)[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000340886365 173042801 /nfs/dbraw/zinc/04/28/01/173042801.db2.gz FPQXVIYQYRZMTK-VIFPVBQESA-N 1 2 239.323 0.284 20 0 BCADLO CN1CCC[C@H]([NH2+]Cc2cscn2)C1=O ZINC000308954742 173045752 /nfs/dbraw/zinc/04/57/52/173045752.db2.gz QDKMTXKSAUQUNO-VIFPVBQESA-N 1 2 225.317 0.854 20 0 BCADLO C[NH+]1CCN(C(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000281230486 173064412 /nfs/dbraw/zinc/06/44/12/173064412.db2.gz SCADNIFQEOTUSU-UHFFFAOYSA-N 1 2 248.282 0.349 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000368133199 173071547 /nfs/dbraw/zinc/07/15/47/173071547.db2.gz TXJOVRDTGBFTMN-SDDRHHMPSA-N 1 2 238.331 0.576 20 0 BCADLO C[N@@H+]1CCN(C(=O)c2ncccc2O)C(C)(C)C1 ZINC000275345928 173072449 /nfs/dbraw/zinc/07/24/49/173072449.db2.gz PPGPHITVFYZMBC-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO C[N@H+]1CCN(C(=O)c2ncccc2O)C(C)(C)C1 ZINC000275345928 173072451 /nfs/dbraw/zinc/07/24/51/173072451.db2.gz PPGPHITVFYZMBC-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO C[NH+]1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000089221079 173072732 /nfs/dbraw/zinc/07/27/32/173072732.db2.gz TWCHYMHPXGEHGI-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO C[NH+]1CCN(C(=O)c2cncc(O)c2)CC1 ZINC000082304189 173073419 /nfs/dbraw/zinc/07/34/19/173073419.db2.gz WJKURZDANAIWTG-UHFFFAOYSA-N 1 2 221.260 0.175 20 0 BCADLO CN1CC[N@H+](CCCn2ccnc2)CC1=O ZINC000182793705 173082489 /nfs/dbraw/zinc/08/24/89/173082489.db2.gz CLQZLKZPCZICLU-UHFFFAOYSA-N 1 2 222.292 0.047 20 0 BCADLO CN1CC[N@@H+](CCCn2ccnc2)CC1=O ZINC000182793705 173082491 /nfs/dbraw/zinc/08/24/91/173082491.db2.gz CLQZLKZPCZICLU-UHFFFAOYSA-N 1 2 222.292 0.047 20 0 BCADLO CN1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000308829264 173084862 /nfs/dbraw/zinc/08/48/62/173084862.db2.gz IWSMWIUAGLRJPY-MRVPVSSYSA-N 1 2 226.242 0.547 20 0 BCADLO C[N@@H+]1CCN(S(=O)(=O)C2(C)CC2)C(C)(C)C1 ZINC000336274214 173092835 /nfs/dbraw/zinc/09/28/35/173092835.db2.gz HTPAYSHSTOMVOT-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO C[N@H+]1CCN(S(=O)(=O)C2(C)CC2)C(C)(C)C1 ZINC000336274214 173092837 /nfs/dbraw/zinc/09/28/37/173092837.db2.gz HTPAYSHSTOMVOT-UHFFFAOYSA-N 1 2 246.376 0.895 20 0 BCADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000334420155 173099389 /nfs/dbraw/zinc/09/93/89/173099389.db2.gz ZPVRCFVYADKXKV-SSDOTTSWSA-N 1 2 234.246 0.231 20 0 BCADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000334420155 173099391 /nfs/dbraw/zinc/09/93/91/173099391.db2.gz ZPVRCFVYADKXKV-SSDOTTSWSA-N 1 2 234.246 0.231 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000187615720 173102338 /nfs/dbraw/zinc/10/23/38/173102338.db2.gz SRSVSDCMJJIPLJ-ITKZLYELSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000187615720 173102340 /nfs/dbraw/zinc/10/23/40/173102340.db2.gz SRSVSDCMJJIPLJ-ITKZLYELSA-N 1 2 249.314 0.475 20 0 BCADLO C[N@@H+]1CCO[C@@H](CNc2cnccn2)C1 ZINC000082643945 173103454 /nfs/dbraw/zinc/10/34/54/173103454.db2.gz XAQJWTLHHOPJFT-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@@H](CNc2cnccn2)C1 ZINC000082643945 173103455 /nfs/dbraw/zinc/10/34/55/173103455.db2.gz XAQJWTLHHOPJFT-VIFPVBQESA-N 1 2 208.265 0.219 20 0 BCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCCO2)C1 ZINC000130284693 173106510 /nfs/dbraw/zinc/10/65/10/173106510.db2.gz WXHYQXAVIKQMIY-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCCO2)C1 ZINC000130284693 173106507 /nfs/dbraw/zinc/10/65/07/173106507.db2.gz WXHYQXAVIKQMIY-ZYHUDNBSSA-N 1 2 242.319 0.002 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ncccc2O)C1 ZINC000081930976 173108055 /nfs/dbraw/zinc/10/80/55/173108055.db2.gz XYOQLZYBUAQKGM-VIFPVBQESA-N 1 2 237.259 0.056 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2ncccc2O)C1 ZINC000081930976 173108056 /nfs/dbraw/zinc/10/80/56/173108056.db2.gz XYOQLZYBUAQKGM-VIFPVBQESA-N 1 2 237.259 0.056 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cncc(F)c2)C1 ZINC000281811012 173108289 /nfs/dbraw/zinc/10/82/89/173108289.db2.gz USFDVMCIVWWJMJ-JTQLQIEISA-N 1 2 239.250 0.490 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)Nc2cncc(F)c2)C1 ZINC000281811012 173108291 /nfs/dbraw/zinc/10/82/91/173108291.db2.gz USFDVMCIVWWJMJ-JTQLQIEISA-N 1 2 239.250 0.490 20 0 BCADLO CN1CC[C@@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000336274760 173120607 /nfs/dbraw/zinc/12/06/07/173120607.db2.gz WVCGCYRAMYDWJS-MNOVXSKESA-N 1 2 224.304 0.328 20 0 BCADLO CN1CC[C@@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000336274760 173120608 /nfs/dbraw/zinc/12/06/08/173120608.db2.gz WVCGCYRAMYDWJS-MNOVXSKESA-N 1 2 224.304 0.328 20 0 BCADLO CNC(=O)C1C[NH+](Cc2cc(OC)cc(C)n2)C1 ZINC000297350102 173227771 /nfs/dbraw/zinc/22/77/71/173227771.db2.gz GMBUDDZIBQHJON-UHFFFAOYSA-N 1 2 249.314 0.576 20 0 BCADLO CNC(=O)CC[N@H+](C)Cc1csnn1 ZINC000330603181 173250564 /nfs/dbraw/zinc/25/05/64/173250564.db2.gz FRVNOPSEZHSJQP-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)CC[N@@H+](C)Cc1csnn1 ZINC000330603181 173250569 /nfs/dbraw/zinc/25/05/69/173250569.db2.gz FRVNOPSEZHSJQP-UHFFFAOYSA-N 1 2 214.294 0.106 20 0 BCADLO CNC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000112552909 173262428 /nfs/dbraw/zinc/26/24/28/173262428.db2.gz PDTIWMANUUCRRH-UHFFFAOYSA-N 1 2 220.276 0.902 20 0 BCADLO CNC(=O)C[N@H+](C)CC(=O)NC1CCCCC1 ZINC000096982452 173268507 /nfs/dbraw/zinc/26/85/07/173268507.db2.gz QNWJUMCBMWHBDB-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CNC(=O)C[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000096982452 173268510 /nfs/dbraw/zinc/26/85/10/173268510.db2.gz QNWJUMCBMWHBDB-UHFFFAOYSA-N 1 2 241.335 0.113 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cncc(OC)c1 ZINC000290325346 173270205 /nfs/dbraw/zinc/27/02/05/173270205.db2.gz ONUSJNIMBDSGSC-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cncc(OC)c1 ZINC000290325346 173270207 /nfs/dbraw/zinc/27/02/07/173270207.db2.gz ONUSJNIMBDSGSC-UHFFFAOYSA-N 1 2 223.276 0.268 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000272830486 173270275 /nfs/dbraw/zinc/27/02/75/173270275.db2.gz MTJHUVHLDGLCPD-JTQLQIEISA-N 1 2 249.314 0.691 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000272830486 173270278 /nfs/dbraw/zinc/27/02/78/173270278.db2.gz MTJHUVHLDGLCPD-JTQLQIEISA-N 1 2 249.314 0.691 20 0 BCADLO CNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000270780984 173270792 /nfs/dbraw/zinc/27/07/92/173270792.db2.gz OUHJFAPVLKRLKV-VIFPVBQESA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000270780984 173270795 /nfs/dbraw/zinc/27/07/95/173270795.db2.gz OUHJFAPVLKRLKV-VIFPVBQESA-N 1 2 207.277 0.820 20 0 BCADLO CNC(=O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC000354397594 173271799 /nfs/dbraw/zinc/27/17/99/173271799.db2.gz XMCFFYJIZQSMMJ-UHFFFAOYSA-N 1 2 222.292 0.584 20 0 BCADLO CNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000112979001 173273726 /nfs/dbraw/zinc/27/37/26/173273726.db2.gz XBLWNPQJCUKSTP-UHFFFAOYSA-N 1 2 235.278 0.005 20 0 BCADLO CNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000112979001 173273727 /nfs/dbraw/zinc/27/37/27/173273727.db2.gz XBLWNPQJCUKSTP-UHFFFAOYSA-N 1 2 235.278 0.005 20 0 BCADLO CNC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000336609236 173274430 /nfs/dbraw/zinc/27/44/30/173274430.db2.gz BXEHEHJUFBLURB-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO CNC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000336609236 173274431 /nfs/dbraw/zinc/27/44/31/173274431.db2.gz BXEHEHJUFBLURB-QMMMGPOBSA-N 1 2 200.282 0.232 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000336278044 173274750 /nfs/dbraw/zinc/27/47/50/173274750.db2.gz FHLGLWAPNOZIEW-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000336278044 173274751 /nfs/dbraw/zinc/27/47/51/173274751.db2.gz FHLGLWAPNOZIEW-SECBINFHSA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000336278045 173275101 /nfs/dbraw/zinc/27/51/01/173275101.db2.gz FHLGLWAPNOZIEW-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000336278045 173275102 /nfs/dbraw/zinc/27/51/02/173275102.db2.gz FHLGLWAPNOZIEW-VIFPVBQESA-N 1 2 214.309 0.479 20 0 BCADLO CNC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000074449951 173275216 /nfs/dbraw/zinc/27/52/16/173275216.db2.gz BKMCOBXVVYCGGS-UHFFFAOYSA-N 1 2 222.263 0.930 20 0 BCADLO CNC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000074449951 173275217 /nfs/dbraw/zinc/27/52/17/173275217.db2.gz BKMCOBXVVYCGGS-UHFFFAOYSA-N 1 2 222.263 0.930 20 0 BCADLO CNC(=O)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000176704718 173276164 /nfs/dbraw/zinc/27/61/64/173276164.db2.gz FBBLKJWWKMXKAJ-UHFFFAOYSA-N 1 2 236.275 0.566 20 0 BCADLO CNC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000340891451 173277968 /nfs/dbraw/zinc/27/79/68/173277968.db2.gz HBRHSADKLXEGKB-QMMMGPOBSA-N 1 2 233.275 0.126 20 0 BCADLO CNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000293167211 173278104 /nfs/dbraw/zinc/27/81/04/173278104.db2.gz NDWRUPINNAYSFV-VIFPVBQESA-N 1 2 244.241 0.334 20 0 BCADLO CNC(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126124841 173278547 /nfs/dbraw/zinc/27/85/47/173278547.db2.gz HDIDOWJLBJTMPQ-SSDOTTSWSA-N 1 2 213.306 0.848 20 0 BCADLO CNC(=O)Cc1noc(C[NH+]2CCCCC2)n1 ZINC000331142797 173283918 /nfs/dbraw/zinc/28/39/18/173283918.db2.gz FZOYOYCJHKOROV-UHFFFAOYSA-N 1 2 238.291 0.344 20 0 BCADLO CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336280102 173284596 /nfs/dbraw/zinc/28/45/96/173284596.db2.gz CXPRYDACDIMRJQ-UHFFFAOYSA-N 1 2 222.292 0.991 20 0 BCADLO CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000338604984 173284854 /nfs/dbraw/zinc/28/48/54/173284854.db2.gz BXDKXKWRSQOTHK-UHFFFAOYSA-N 1 2 208.265 0.859 20 0 BCADLO CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376427149 173284942 /nfs/dbraw/zinc/28/49/42/173284942.db2.gz NTGAZLCKFAZARA-SECBINFHSA-N 1 2 222.292 0.939 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000271197492 173285330 /nfs/dbraw/zinc/28/53/30/173285330.db2.gz URUAPGGMONUOFP-UHFFFAOYSA-N 1 2 249.314 0.849 20 0 BCADLO CNC(=O)N1CC[NH+](Cc2conc2C)CC1 ZINC000295517227 173285553 /nfs/dbraw/zinc/28/55/53/173285553.db2.gz ZPPCPBYJBHOALB-UHFFFAOYSA-N 1 2 238.291 0.440 20 0 BCADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267560 173287119 /nfs/dbraw/zinc/28/71/19/173287119.db2.gz XFAQJXWHRXLUCW-JTQLQIEISA-N 1 2 231.271 0.266 20 0 BCADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000336267560 173287120 /nfs/dbraw/zinc/28/71/20/173287120.db2.gz XFAQJXWHRXLUCW-JTQLQIEISA-N 1 2 231.271 0.266 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267297 173288239 /nfs/dbraw/zinc/28/82/39/173288239.db2.gz DOPVTVBWHSZKAT-KWQFWETISA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000336267297 173288240 /nfs/dbraw/zinc/28/82/40/173288240.db2.gz DOPVTVBWHSZKAT-KWQFWETISA-N 1 2 245.298 0.655 20 0 BCADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cn[nH]c1C ZINC000093899741 173293697 /nfs/dbraw/zinc/29/36/97/173293697.db2.gz WBLASBRGRBXUDW-QMMMGPOBSA-N 1 2 224.308 0.532 20 0 BCADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cn[nH]c1C ZINC000093899741 173293698 /nfs/dbraw/zinc/29/36/98/173293698.db2.gz WBLASBRGRBXUDW-QMMMGPOBSA-N 1 2 224.308 0.532 20 0 BCADLO CNC(=O)[C@@H](C)[NH2+]Cc1ncc(COC)s1 ZINC000336766652 173295034 /nfs/dbraw/zinc/29/50/34/173295034.db2.gz PCGMOCAPNDNNTI-SSDOTTSWSA-N 1 2 243.332 0.514 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1n[nH]cc1C ZINC000284029397 173297826 /nfs/dbraw/zinc/29/78/26/173297826.db2.gz LDFYQVLCGMUFAN-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1n[nH]cc1C ZINC000284029397 173297827 /nfs/dbraw/zinc/29/78/27/173297827.db2.gz LDFYQVLCGMUFAN-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1[nH]ncc1C ZINC000284029397 173297828 /nfs/dbraw/zinc/29/78/28/173297828.db2.gz LDFYQVLCGMUFAN-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1[nH]ncc1C ZINC000284029397 173297829 /nfs/dbraw/zinc/29/78/29/173297829.db2.gz LDFYQVLCGMUFAN-NSHDSACASA-N 1 2 236.319 0.819 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)ncn1 ZINC000292588633 173297992 /nfs/dbraw/zinc/29/79/92/173297992.db2.gz UWJLCEMWAGMZOQ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)ncn1 ZINC000292588633 173297993 /nfs/dbraw/zinc/29/79/93/173297993.db2.gz UWJLCEMWAGMZOQ-LBPRGKRZSA-N 1 2 248.330 0.886 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccn(C)n1 ZINC000270819642 173298861 /nfs/dbraw/zinc/29/88/61/173298861.db2.gz QXIQPAQYAAGGQS-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC000270819642 173298862 /nfs/dbraw/zinc/29/88/62/173298862.db2.gz QXIQPAQYAAGGQS-JTQLQIEISA-N 1 2 222.292 0.131 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000077269458 173299051 /nfs/dbraw/zinc/29/90/51/173299051.db2.gz MOGCIVFCAHBACF-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000077269458 173299052 /nfs/dbraw/zinc/29/90/52/173299052.db2.gz MOGCIVFCAHBACF-VIFPVBQESA-N 1 2 209.249 0.385 20 0 BCADLO CNC(=O)[C@H]([NH2+]Cc1cn[nH]c1C)C(C)C ZINC000309959417 173304942 /nfs/dbraw/zinc/30/49/42/173304942.db2.gz KGJHBBJMHWCSSD-SNVBAGLBSA-N 1 2 224.308 0.578 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC000173563401 173306875 /nfs/dbraw/zinc/30/68/75/173306875.db2.gz JQELWNYSBZWWBU-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC000173563401 173306876 /nfs/dbraw/zinc/30/68/76/173306876.db2.gz JQELWNYSBZWWBU-SECBINFHSA-N 1 2 223.276 0.693 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(OC)c1 ZINC000290536958 173307042 /nfs/dbraw/zinc/30/70/42/173307042.db2.gz ZRAGOWGSLSIPTA-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cncc(OC)c1 ZINC000290536958 173307043 /nfs/dbraw/zinc/30/70/43/173307043.db2.gz ZRAGOWGSLSIPTA-GFCCVEGCSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnccc1OC ZINC000287261743 173307297 /nfs/dbraw/zinc/30/72/97/173307297.db2.gz KWIBNTHZZINOQF-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnccc1OC ZINC000287261743 173307298 /nfs/dbraw/zinc/30/72/98/173307298.db2.gz KWIBNTHZZINOQF-LLVKDONJSA-N 1 2 249.314 0.801 20 0 BCADLO COC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000336554580 174033700 /nfs/dbraw/zinc/03/37/00/174033700.db2.gz GEIWNHDCPCEHFH-SECBINFHSA-N 1 2 235.287 0.303 20 0 BCADLO COC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336423880 174034036 /nfs/dbraw/zinc/03/40/36/174034036.db2.gz ADNLHFLNNDKTGC-VIFPVBQESA-N 1 2 235.287 0.303 20 0 BCADLO COCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374374491 174043212 /nfs/dbraw/zinc/04/32/12/174043212.db2.gz WOSRLFOCSUQLFV-NSHDSACASA-N 1 2 235.287 0.201 20 0 BCADLO COCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368743052 174049944 /nfs/dbraw/zinc/04/99/44/174049944.db2.gz SXCZGXPFJGUQMI-UHFFFAOYSA-N 1 2 237.303 0.525 20 0 BCADLO COCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366604108 174051479 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/nfs/dbraw/zinc/35/82/25/175358225.db2.gz CRKINQLGZIPLTN-UHFFFAOYSA-N 1 2 208.261 0.922 20 0 BCADLO COc1ccnc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000106860171 175358242 /nfs/dbraw/zinc/35/82/42/175358242.db2.gz QIAJCOJLXRELNY-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1ccnc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000106860171 175358245 /nfs/dbraw/zinc/35/82/45/175358245.db2.gz QIAJCOJLXRELNY-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cc[nH+]c(CN2CCNC(=O)CC2)c1 ZINC000106860171 175358246 /nfs/dbraw/zinc/35/82/46/175358246.db2.gz QIAJCOJLXRELNY-UHFFFAOYSA-N 1 2 235.287 0.412 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)CO ZINC000292888735 175370887 /nfs/dbraw/zinc/37/08/87/175370887.db2.gz YPRMELBSNKTHNI-QMMMGPOBSA-N 1 2 239.275 0.270 20 0 BCADLO COc1cc[nH+]cc1CNC(=O)c1nonc1C ZINC000294697953 175371292 /nfs/dbraw/zinc/37/12/92/175371292.db2.gz UXBOKLFNUNPLQY-UHFFFAOYSA-N 1 2 248.242 0.712 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@H]1COC(=O)N1 ZINC000282924973 175374430 /nfs/dbraw/zinc/37/44/30/175374430.db2.gz FNRYDZAAUGQRIB-SSDOTTSWSA-N 1 2 237.215 0.137 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C(=O)NC1CC1 ZINC000354106856 175375213 /nfs/dbraw/zinc/37/52/13/175375213.db2.gz HPBHQXOYXURZSU-UHFFFAOYSA-N 1 2 235.243 0.307 20 0 BCADLO COc1cncc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000358599077 175383592 /nfs/dbraw/zinc/38/35/92/175383592.db2.gz WUZPYFRAAYJRLB-UHFFFAOYSA-N 1 2 246.226 0.260 20 0 BCADLO C[C@@H](O)CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291254757 175783028 /nfs/dbraw/zinc/78/30/28/175783028.db2.gz BEPALIUFYBLGAU-VHSXEESVSA-N 1 2 240.307 0.294 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000330901716 175835166 /nfs/dbraw/zinc/83/51/66/175835166.db2.gz RTLZSEQIQZDOSJ-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c[nH]1 ZINC000093420677 176011935 /nfs/dbraw/zinc/01/19/35/176011935.db2.gz NCCNDSQQMVWFEH-IUCAKERBSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH]c[nH+]1 ZINC000093420677 176011937 /nfs/dbraw/zinc/01/19/37/176011937.db2.gz NCCNDSQQMVWFEH-IUCAKERBSA-N 1 2 245.348 0.663 20 0 BCADLO C[C@@H](c1ccccn1)[NH+]1CCN(CCO)CC1 ZINC000360632607 176028218 /nfs/dbraw/zinc/02/82/18/176028218.db2.gz JZNAMYCJUOSBSL-LBPRGKRZSA-N 1 2 235.331 0.753 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330828570 176028653 /nfs/dbraw/zinc/02/86/53/176028653.db2.gz JIKIBNYNAKLILZ-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000330828570 176028654 /nfs/dbraw/zinc/02/86/54/176028654.db2.gz JIKIBNYNAKLILZ-VIFPVBQESA-N 1 2 247.302 0.696 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NC(N)=O ZINC000180791708 176029075 /nfs/dbraw/zinc/02/90/75/176029075.db2.gz BXHLGPZFIFYJAH-QMMMGPOBSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NC(N)=O ZINC000180791708 176029074 /nfs/dbraw/zinc/02/90/74/176029074.db2.gz BXHLGPZFIFYJAH-QMMMGPOBSA-N 1 2 236.275 0.269 20 0 BCADLO C[C@@H](c1ccco1)[N@H+](C)CCNS(C)(=O)=O ZINC000107299852 176031557 /nfs/dbraw/zinc/03/15/57/176031557.db2.gz CYCKLWTUEFYBPM-VIFPVBQESA-N 1 2 246.332 0.822 20 0 BCADLO C[C@@H](c1ccco1)[N@@H+](C)CCNS(C)(=O)=O ZINC000107299852 176031559 /nfs/dbraw/zinc/03/15/59/176031559.db2.gz CYCKLWTUEFYBPM-VIFPVBQESA-N 1 2 246.332 0.822 20 0 BCADLO C[C@@H]1C(=O)N([C@@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000329174510 176044280 /nfs/dbraw/zinc/04/42/80/176044280.db2.gz LXHFLUOIQBVJAQ-RKDXNWHRSA-N 1 2 248.286 0.480 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000104690789 176046422 /nfs/dbraw/zinc/04/64/22/176046422.db2.gz ANPILXWWAKXSSK-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000104690789 176046424 /nfs/dbraw/zinc/04/64/24/176046424.db2.gz ANPILXWWAKXSSK-DGCLKSJQSA-N 1 2 248.326 0.410 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cccnc1 ZINC000172160289 176046672 /nfs/dbraw/zinc/04/66/72/176046672.db2.gz DBRYYGZOIXPBKM-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cccnc1 ZINC000172160289 176046674 /nfs/dbraw/zinc/04/66/74/176046674.db2.gz DBRYYGZOIXPBKM-SNVBAGLBSA-N 1 2 219.288 0.444 20 0 BCADLO C[C@@H]1CC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000084532817 176048271 /nfs/dbraw/zinc/04/82/71/176048271.db2.gz FFGFNEOWVTWMAL-SSDOTTSWSA-N 1 2 219.244 0.559 20 0 BCADLO C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000263681167 176158394 /nfs/dbraw/zinc/15/83/94/176158394.db2.gz IZXQVTNCQARTSI-SNVBAGLBSA-N 1 2 222.292 0.935 20 0 BCADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000359618684 176159873 /nfs/dbraw/zinc/15/98/73/176159873.db2.gz HUXTXIPYMZNUDD-IJLUTSLNSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnn(C)n1 ZINC000333359161 176178621 /nfs/dbraw/zinc/17/86/21/176178621.db2.gz XCDYKMWSRYNHGD-BBBLOLIVSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nnn(C)n1 ZINC000333359161 176178623 /nfs/dbraw/zinc/17/86/23/176178623.db2.gz XCDYKMWSRYNHGD-BBBLOLIVSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnn(C)n1 ZINC000333359163 176178802 /nfs/dbraw/zinc/17/88/02/176178802.db2.gz XCDYKMWSRYNHGD-OPRDCNLKSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nnn(C)n1 ZINC000333359163 176178803 /nfs/dbraw/zinc/17/88/03/176178803.db2.gz XCDYKMWSRYNHGD-OPRDCNLKSA-N 1 2 239.323 0.191 20 0 BCADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@H]1CO ZINC000277714879 176182618 /nfs/dbraw/zinc/18/26/18/176182618.db2.gz HIAKLHORQVXEFQ-RQJHMYQMSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cscn1 ZINC000193565062 176184390 /nfs/dbraw/zinc/18/43/90/176184390.db2.gz CBJAWSRJPFCIEJ-APPZFPTMSA-N 1 2 225.317 0.757 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1Cc1n[nH]c(=O)s1 ZINC000367459356 176189083 /nfs/dbraw/zinc/18/90/83/176189083.db2.gz SOYSVRALFNOWBW-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1CC1N=NC(=O)S1 ZINC000367459356 176189085 /nfs/dbraw/zinc/18/90/85/176189085.db2.gz SOYSVRALFNOWBW-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1CC1N=NC(=O)S1 ZINC000367459356 176189087 /nfs/dbraw/zinc/18/90/87/176189087.db2.gz SOYSVRALFNOWBW-SSDOTTSWSA-N 1 2 229.305 0.855 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000336587713 176194709 /nfs/dbraw/zinc/19/47/09/176194709.db2.gz YYFBMMYVMULEBP-VXGBXAGGSA-N 1 2 240.347 0.559 20 0 BCADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1nn[nH]n1 ZINC000346178846 176198780 /nfs/dbraw/zinc/19/87/80/176198780.db2.gz CKBRRTLGQMAMAI-RNFRBKRXSA-N 1 2 224.268 0.011 20 0 BCADLO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811176 176229518 /nfs/dbraw/zinc/22/95/18/176229518.db2.gz CPVRCRQREFKYCS-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2nnn(C)n2)C1 ZINC000329811176 176229519 /nfs/dbraw/zinc/22/95/19/176229519.db2.gz CPVRCRQREFKYCS-ZJUUUORDSA-N 1 2 239.323 0.193 20 0 BCADLO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000335329806 176241923 /nfs/dbraw/zinc/24/19/23/176241923.db2.gz ZPHSBEKFFYBKQW-GHMZBOCLSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[NH2+]1 ZINC000179179299 176259658 /nfs/dbraw/zinc/25/96/58/176259658.db2.gz DPTCPGAVXZZSHG-MRVPVSSYSA-N 1 2 234.303 0.721 20 0 BCADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)CC[NH2+]1 ZINC000088059136 176265746 /nfs/dbraw/zinc/26/57/46/176265746.db2.gz HTBHGXYIHUUJFY-SECBINFHSA-N 1 2 244.298 0.997 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CCCF ZINC000336424180 176268060 /nfs/dbraw/zinc/26/80/60/176268060.db2.gz MXDMQSXOJUYVOH-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCF ZINC000336424180 176268061 /nfs/dbraw/zinc/26/80/61/176268061.db2.gz MXDMQSXOJUYVOH-SECBINFHSA-N 1 2 238.328 0.312 20 0 BCADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000045784277 176283356 /nfs/dbraw/zinc/28/33/56/176283356.db2.gz PLLHPAKUUAKEFX-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](C)CO1 ZINC000045784277 176283357 /nfs/dbraw/zinc/28/33/57/176283357.db2.gz PLLHPAKUUAKEFX-RKDXNWHRSA-N 1 2 212.293 0.374 20 0 BCADLO C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)CCO1 ZINC000336693469 176286406 /nfs/dbraw/zinc/28/64/06/176286406.db2.gz CXTWDTFHSIQBDQ-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)CCO1 ZINC000336693469 176286409 /nfs/dbraw/zinc/28/64/09/176286409.db2.gz CXTWDTFHSIQBDQ-SNVBAGLBSA-N 1 2 247.360 0.532 20 0 BCADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000103139875 176289717 /nfs/dbraw/zinc/28/97/17/176289717.db2.gz DNMPEWPMWSMHPO-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)[C@H](C)CO1 ZINC000103139875 176289720 /nfs/dbraw/zinc/28/97/20/176289720.db2.gz DNMPEWPMWSMHPO-NXEZZACHSA-N 1 2 235.349 0.530 20 0 BCADLO C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC(=O)N1C ZINC000282034002 176296122 /nfs/dbraw/zinc/29/61/22/176296122.db2.gz FQMYROAFVCJREF-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC(=O)N1C ZINC000282034002 176296123 /nfs/dbraw/zinc/29/61/23/176296123.db2.gz FQMYROAFVCJREF-SNVBAGLBSA-N 1 2 236.319 0.125 20 0 BCADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000296360468 176297487 /nfs/dbraw/zinc/29/74/87/176297487.db2.gz WSYLQLCRMFIVPF-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC(=O)N1 ZINC000296360468 176297490 /nfs/dbraw/zinc/29/74/90/176297490.db2.gz WSYLQLCRMFIVPF-ZYHUDNBSSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000050792524 176304067 /nfs/dbraw/zinc/30/40/67/176304067.db2.gz WFUZLJKUFNXASA-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000050792524 176304068 /nfs/dbraw/zinc/30/40/68/176304068.db2.gz WFUZLJKUFNXASA-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000191782089 176307147 /nfs/dbraw/zinc/30/71/47/176307147.db2.gz NTPKIYWTUGENML-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000191782089 176307149 /nfs/dbraw/zinc/30/71/49/176307149.db2.gz NTPKIYWTUGENML-ZYHUDNBSSA-N 1 2 222.288 0.663 20 0 BCADLO C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CC(=O)N1 ZINC000294954312 176308795 /nfs/dbraw/zinc/30/87/95/176308795.db2.gz HUTWIRHYQXLNJC-SNVBAGLBSA-N 1 2 244.298 0.655 20 0 BCADLO C[C@@H]1C[N@H+](Cc2csnn2)CC[C@@H]1O ZINC000306193815 176310362 /nfs/dbraw/zinc/31/03/62/176310362.db2.gz UZSWSQNULUEESN-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1O ZINC000306193815 176310363 /nfs/dbraw/zinc/31/03/63/176310363.db2.gz UZSWSQNULUEESN-APPZFPTMSA-N 1 2 213.306 0.741 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332602759 176311634 /nfs/dbraw/zinc/31/16/34/176311634.db2.gz BCZHAAPAZFSDNQ-GJMOJQLCSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332602759 176311636 /nfs/dbraw/zinc/31/16/36/176311636.db2.gz BCZHAAPAZFSDNQ-GJMOJQLCSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC[S@@]1=O ZINC000353803303 176312223 /nfs/dbraw/zinc/31/22/23/176312223.db2.gz JWASYOJCVBFFIG-PSLIRLAXSA-N 1 2 227.333 0.373 20 0 BCADLO C[C@@H]1[C@H](C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000332602760 176312296 /nfs/dbraw/zinc/31/22/96/176312296.db2.gz BCZHAAPAZFSDNQ-PRJMDXOYSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1[C@H](C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000332602760 176312298 /nfs/dbraw/zinc/31/22/98/176312298.db2.gz BCZHAAPAZFSDNQ-PRJMDXOYSA-N 1 2 210.281 0.987 20 0 BCADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000351927484 176312345 /nfs/dbraw/zinc/31/23/45/176312345.db2.gz OBPPVGDGCLRNOF-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000351927484 176312347 /nfs/dbraw/zinc/31/23/47/176312347.db2.gz OBPPVGDGCLRNOF-APPZFPTMSA-N 1 2 223.276 0.760 20 0 BCADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@H](C2CC2)O1 ZINC000373403111 176318109 /nfs/dbraw/zinc/31/81/09/176318109.db2.gz NAFKVRBBDDBGOM-DVVUODLYSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@H](C2CC2)O1 ZINC000373403111 176318110 /nfs/dbraw/zinc/31/81/10/176318110.db2.gz NAFKVRBBDDBGOM-DVVUODLYSA-N 1 2 225.288 0.801 20 0 BCADLO C[C@@H](c1nnnn1C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000329878712 176332892 /nfs/dbraw/zinc/33/28/92/176332892.db2.gz LFCANSBNFLYVPW-IUCAKERBSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H](c1nnnn1C)[N@H+]1CCOC[C@@H](C)C1 ZINC000329878712 176332893 /nfs/dbraw/zinc/33/28/93/176332893.db2.gz LFCANSBNFLYVPW-IUCAKERBSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCN1CC[C@H](F)C1 ZINC000336262836 176335907 /nfs/dbraw/zinc/33/59/07/176335907.db2.gz DLQNRBYRCISJLY-MNOVXSKESA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCN1CC[C@H](F)C1 ZINC000336262836 176335908 /nfs/dbraw/zinc/33/59/08/176335908.db2.gz DLQNRBYRCISJLY-MNOVXSKESA-N 1 2 216.300 0.751 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000339098306 176336646 /nfs/dbraw/zinc/33/66/46/176336646.db2.gz AZVYNNHRSAZTHF-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1COCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000339098306 176336648 /nfs/dbraw/zinc/33/66/48/176336648.db2.gz AZVYNNHRSAZTHF-SNVBAGLBSA-N 1 2 226.320 0.576 20 0 BCADLO C[C@@H]1COCC[N@@H+]1Cc1ccnc(N)c1 ZINC000052720603 176337615 /nfs/dbraw/zinc/33/76/15/176337615.db2.gz CXCTVSGCTPOTLV-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1COCC[N@H+]1Cc1ccnc(N)c1 ZINC000052720603 176337617 /nfs/dbraw/zinc/33/76/17/176337617.db2.gz CXCTVSGCTPOTLV-SECBINFHSA-N 1 2 207.277 0.885 20 0 BCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(F)F ZINC000376187027 176372896 /nfs/dbraw/zinc/37/28/96/176372896.db2.gz IVOUTZJRLNMPER-RKDXNWHRSA-N 1 2 248.273 0.573 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627344 176382577 /nfs/dbraw/zinc/38/25/77/176382577.db2.gz HNJXLTFXIMJQCW-MWLCHTKSSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000332627344 176382579 /nfs/dbraw/zinc/38/25/79/176382579.db2.gz HNJXLTFXIMJQCW-MWLCHTKSSA-N 1 2 238.335 0.988 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377338543 176386303 /nfs/dbraw/zinc/38/63/03/176386303.db2.gz YWIVTCAFCIXBKX-VPOLOUISSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377338543 176386304 /nfs/dbraw/zinc/38/63/04/176386304.db2.gz YWIVTCAFCIXBKX-VPOLOUISSA-N 1 2 224.304 0.184 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854304 176386330 /nfs/dbraw/zinc/38/63/30/176386330.db2.gz QFGMBBMXAPXIND-JLLWLGSASA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854304 176386331 /nfs/dbraw/zinc/38/63/31/176386331.db2.gz QFGMBBMXAPXIND-JLLWLGSASA-N 1 2 238.331 0.622 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000355034929 176389227 /nfs/dbraw/zinc/38/92/27/176389227.db2.gz LPNAZKKIDTXXAU-DDHJBXDOSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000355034929 176389230 /nfs/dbraw/zinc/38/92/30/176389230.db2.gz LPNAZKKIDTXXAU-DDHJBXDOSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355138369 176389842 /nfs/dbraw/zinc/38/98/42/176389842.db2.gz GLKLJUBQCONPKE-IJLUTSLNSA-N 1 2 237.347 0.149 20 0 BCADLO C[C@H](CNC(=O)c1ccn[nH]1)Cn1cc[nH+]c1 ZINC000265752121 176676311 /nfs/dbraw/zinc/67/63/11/176676311.db2.gz JJWHRBUPMHLMIL-SECBINFHSA-N 1 2 233.275 0.672 20 0 BCADLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1csnn1 ZINC000333095329 176920530 /nfs/dbraw/zinc/92/05/30/176920530.db2.gz UHBTXJQZIYWVBR-BQBZGAKWSA-N 1 2 226.305 0.467 20 0 BCADLO C[C@H](O)C[C@@H]1COCCN1Cc1[nH+]ccn1C ZINC000157123182 176998653 /nfs/dbraw/zinc/99/86/53/176998653.db2.gz UXJQDDMQQFUASN-WDEREUQCSA-N 1 2 239.319 0.392 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000341250288 177000475 /nfs/dbraw/zinc/00/04/75/177000475.db2.gz NXRVBRYXYWANOL-IUCAKERBSA-N 1 2 240.307 0.379 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cnn[nH]1 ZINC000340289289 177002002 /nfs/dbraw/zinc/00/20/02/177002002.db2.gz FEIVDDAQNMICFY-WCBMZHEXSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cnn[nH]1 ZINC000340289289 177002004 /nfs/dbraw/zinc/00/20/04/177002004.db2.gz FEIVDDAQNMICFY-WCBMZHEXSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC000340289289 177002006 /nfs/dbraw/zinc/00/20/06/177002006.db2.gz FEIVDDAQNMICFY-WCBMZHEXSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cn[nH]n1 ZINC000340289289 177002009 /nfs/dbraw/zinc/00/20/09/177002009.db2.gz FEIVDDAQNMICFY-WCBMZHEXSA-N 1 2 210.281 0.540 20 0 BCADLO C[C@H](Oc1cccnc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000359125215 177025322 /nfs/dbraw/zinc/02/53/22/177025322.db2.gz UIZFWQDAXSJRIJ-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO C[C@H](Oc1cccnc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000359125215 177025324 /nfs/dbraw/zinc/02/53/24/177025324.db2.gz UIZFWQDAXSJRIJ-VIFPVBQESA-N 1 2 246.270 0.888 20 0 BCADLO C[C@H](c1cccnc1)[NH+]1CCN(C(N)=O)CC1 ZINC000359113555 177046189 /nfs/dbraw/zinc/04/61/89/177046189.db2.gz CNYOAWFLHJYHOO-SNVBAGLBSA-N 1 2 234.303 0.839 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364591294 177055452 /nfs/dbraw/zinc/05/54/52/177055452.db2.gz RNBUAOKDWUSOCC-SCZZXKLOSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364591294 177055454 /nfs/dbraw/zinc/05/54/54/177055454.db2.gz RNBUAOKDWUSOCC-SCZZXKLOSA-N 1 2 249.318 0.526 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000193821160 177059200 /nfs/dbraw/zinc/05/92/00/177059200.db2.gz XATCZCATIFOGKJ-UWVGGRQHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000193821160 177059202 /nfs/dbraw/zinc/05/92/02/177059202.db2.gz XATCZCATIFOGKJ-UWVGGRQHSA-N 1 2 210.277 0.499 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1CCc1cscn1 ZINC000283899576 177059404 /nfs/dbraw/zinc/05/94/04/177059404.db2.gz FPGPASPWSALXPZ-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1cscn1 ZINC000283899576 177059406 /nfs/dbraw/zinc/05/94/06/177059406.db2.gz FPGPASPWSALXPZ-QMMMGPOBSA-N 1 2 225.317 0.506 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000123441728 177060576 /nfs/dbraw/zinc/06/05/76/177060576.db2.gz AHUKPWGJDQGTAH-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000123441728 177060578 /nfs/dbraw/zinc/06/05/78/177060578.db2.gz AHUKPWGJDQGTAH-VIFPVBQESA-N 1 2 207.277 0.345 20 0 BCADLO C[C@H]1CC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000050829866 177061524 /nfs/dbraw/zinc/06/15/24/177061524.db2.gz FFGFNEOWVTWMAL-ZETCQYMHSA-N 1 2 219.244 0.559 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccon1 ZINC000369451568 177063023 /nfs/dbraw/zinc/06/30/23/177063023.db2.gz KHQAESNXJXATKY-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccon1 ZINC000369451568 177063024 /nfs/dbraw/zinc/06/30/24/177063024.db2.gz KHQAESNXJXATKY-QMMMGPOBSA-N 1 2 209.249 0.385 20 0 BCADLO C[C@H]1CCN(Cc2c[nH+]c[nH]2)CC[S@@]1=O ZINC000361322841 177167790 /nfs/dbraw/zinc/16/77/90/177167790.db2.gz AJPQJKDVVPJATA-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1CCN(Cc2c[nH]c[nH+]2)CC[S@@]1=O ZINC000361322841 177167792 /nfs/dbraw/zinc/16/77/92/177167792.db2.gz AJPQJKDVVPJATA-VFZGTOFNSA-N 1 2 227.333 0.753 20 0 BCADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000341114683 177168253 /nfs/dbraw/zinc/16/82/53/177168253.db2.gz CGWLBOIOJHTULO-YUMQZZPRSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1C ZINC000341114683 177168255 /nfs/dbraw/zinc/16/82/55/177168255.db2.gz CGWLBOIOJHTULO-YUMQZZPRSA-N 1 2 210.281 0.988 20 0 BCADLO C[C@H]1C[N@@H+](Cc2nnn(C)n2)CC[C@@H]1C ZINC000194450291 177169204 /nfs/dbraw/zinc/16/92/04/177169204.db2.gz RDWMJJHTIISOAS-IUCAKERBSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@H]1C[N@H+](Cc2nnn(C)n2)CC[C@@H]1C ZINC000194450291 177169205 /nfs/dbraw/zinc/16/92/05/177169205.db2.gz RDWMJJHTIISOAS-IUCAKERBSA-N 1 2 209.297 0.688 20 0 BCADLO C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000275958268 177172250 /nfs/dbraw/zinc/17/22/50/177172250.db2.gz DCEBNGICDYHNRW-ZETCQYMHSA-N 1 2 232.291 0.792 20 0 BCADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1csnn1 ZINC000328676396 177172727 /nfs/dbraw/zinc/17/27/27/177172727.db2.gz RQSYXGIISSLZFM-XPUUQOCRSA-N 1 2 226.305 0.993 20 0 BCADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@H]1CO ZINC000277714876 177173215 /nfs/dbraw/zinc/17/32/15/177173215.db2.gz HIAKLHORQVXEFQ-BQBZGAKWSA-N 1 2 242.710 0.919 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000131607117 177197003 /nfs/dbraw/zinc/19/70/03/177197003.db2.gz BKOROAGRHCXTOC-DTWKUNHWSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1CC[C@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000194439439 177198909 /nfs/dbraw/zinc/19/89/09/177198909.db2.gz PMUIBJKKNMUXHY-IUCAKERBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000194439439 177198910 /nfs/dbraw/zinc/19/89/10/177198910.db2.gz PMUIBJKKNMUXHY-IUCAKERBSA-N 1 2 209.297 0.831 20 0 BCADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000371482866 177223385 /nfs/dbraw/zinc/22/33/85/177223385.db2.gz LCCXXIKDHUNUMG-WDEREUQCSA-N 1 2 249.314 0.693 20 0 BCADLO C[C@H]1C[NH+](CCCS(C)(=O)=O)C[C@H](C)N1C ZINC000336893494 177249603 /nfs/dbraw/zinc/24/96/03/177249603.db2.gz UTKCOSCMCDTXPN-QWRGUYRKSA-N 1 2 248.392 0.446 20 0 BCADLO C[C@H]1C[N@H+](CCOC(C)(C)C)CC(=O)N1C ZINC000337459107 177252736 /nfs/dbraw/zinc/25/27/36/177252736.db2.gz OJOKNJYMBISKOZ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(C)(C)C)CC(=O)N1C ZINC000337459107 177252737 /nfs/dbraw/zinc/25/27/37/177252737.db2.gz OJOKNJYMBISKOZ-JTQLQIEISA-N 1 2 228.336 0.964 20 0 BCADLO C[C@H]1C[N@H+](CCn2ccnc2)CCC1=O ZINC000229509178 177255992 /nfs/dbraw/zinc/25/59/92/177255992.db2.gz CAESTFMKKQVHJR-JTQLQIEISA-N 1 2 207.277 0.794 20 0 BCADLO C[C@H]1C[N@@H+](CCn2ccnc2)CCC1=O ZINC000229509178 177255993 /nfs/dbraw/zinc/25/59/93/177255993.db2.gz CAESTFMKKQVHJR-JTQLQIEISA-N 1 2 207.277 0.794 20 0 BCADLO C[C@H]1CN(CCn2cc[nH+]c2)CCC1=O ZINC000229509178 177255994 /nfs/dbraw/zinc/25/59/94/177255994.db2.gz CAESTFMKKQVHJR-JTQLQIEISA-N 1 2 207.277 0.794 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118231 177259036 /nfs/dbraw/zinc/25/90/36/177259036.db2.gz HNXQFKLTJSPQOJ-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC(=O)N1 ZINC000296118231 177259038 /nfs/dbraw/zinc/25/90/38/177259038.db2.gz HNXQFKLTJSPQOJ-WCQYABFASA-N 1 2 248.326 0.410 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296360464 177259667 /nfs/dbraw/zinc/25/96/67/177259667.db2.gz WSYLQLCRMFIVPF-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CC(=O)N1 ZINC000296360464 177259669 /nfs/dbraw/zinc/25/96/69/177259669.db2.gz WSYLQLCRMFIVPF-JQWIXIFHSA-N 1 2 234.299 0.540 20 0 BCADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)CC(=O)N1 ZINC000294711965 177265014 /nfs/dbraw/zinc/26/50/14/177265014.db2.gz BXVRMFJFSCNRAV-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC(=O)N1 ZINC000294711965 177265015 /nfs/dbraw/zinc/26/50/15/177265015.db2.gz BXVRMFJFSCNRAV-VIFPVBQESA-N 1 2 220.272 0.713 20 0 BCADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@]2(CCOC2)O1 ZINC000280284592 177269167 /nfs/dbraw/zinc/26/91/67/177269167.db2.gz NSAQMESZNIXFHK-AAEUAGOBSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@]2(CCOC2)O1 ZINC000280284592 177269169 /nfs/dbraw/zinc/26/91/69/177269169.db2.gz NSAQMESZNIXFHK-AAEUAGOBSA-N 1 2 249.314 0.856 20 0 BCADLO C[C@H]1C[N@H+](Cc2csnn2)C[C@H]1CO ZINC000361660485 177270231 /nfs/dbraw/zinc/27/02/31/177270231.db2.gz KQEDJRGTBAZYTF-YUMQZZPRSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@H]1C[N@@H+](Cc2csnn2)C[C@H]1CO ZINC000361660485 177270233 /nfs/dbraw/zinc/27/02/33/177270233.db2.gz KQEDJRGTBAZYTF-YUMQZZPRSA-N 1 2 213.306 0.598 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000339584154 177272286 /nfs/dbraw/zinc/27/22/86/177272286.db2.gz XXKIPAKRZHDXKB-JGVFFNPUSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnnn1C1CC1 ZINC000339584154 177272288 /nfs/dbraw/zinc/27/22/88/177272288.db2.gz XXKIPAKRZHDXKB-JGVFFNPUSA-N 1 2 207.281 0.848 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)NC2CC2)C[C@H](C)[N@H+]1C ZINC000331959173 177273363 /nfs/dbraw/zinc/27/33/63/177273363.db2.gz LHXTZRDTRIBKAX-DTORHVGOSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H]1CN(S(=O)(=O)NC2CC2)C[C@H](C)[N@@H+]1C ZINC000331959173 177273365 /nfs/dbraw/zinc/27/33/65/177273365.db2.gz LHXTZRDTRIBKAX-DTORHVGOSA-N 1 2 247.364 0.008 20 0 BCADLO C[C@@H](c1cccnc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295146973 177273507 /nfs/dbraw/zinc/27/35/07/177273507.db2.gz ALLWYGCUAYAAIA-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@@H](c1cccnc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295146973 177273509 /nfs/dbraw/zinc/27/35/09/177273509.db2.gz ALLWYGCUAYAAIA-UWVGGRQHSA-N 1 2 219.288 0.963 20 0 BCADLO C[C@H]1COCC[N@H+](Cc2ncnn2C)C1 ZINC000374331703 177289184 /nfs/dbraw/zinc/28/91/84/177289184.db2.gz LQZRVMNCHZAONK-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H]1COCC[N@@H+](Cc2ncnn2C)C1 ZINC000374331703 177289186 /nfs/dbraw/zinc/28/91/86/177289186.db2.gz LQZRVMNCHZAONK-SECBINFHSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@H](c1nnnn1C)[N@@H+]1CCOC[C@H](C)C1 ZINC000329878713 177289530 /nfs/dbraw/zinc/28/95/30/177289530.db2.gz LFCANSBNFLYVPW-RKDXNWHRSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@H](c1nnnn1C)[N@H+]1CCOC[C@H](C)C1 ZINC000329878713 177289532 /nfs/dbraw/zinc/28/95/32/177289532.db2.gz LFCANSBNFLYVPW-RKDXNWHRSA-N 1 2 225.296 0.239 20 0 BCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccncc1 ZINC000330625096 177292536 /nfs/dbraw/zinc/29/25/36/177292536.db2.gz SNGHJJSMYXZIRZ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccncc1 ZINC000330625096 177292539 /nfs/dbraw/zinc/29/25/39/177292539.db2.gz SNGHJJSMYXZIRZ-NSHDSACASA-N 1 2 249.314 0.532 20 0 BCADLO C[C@H]1COCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360474624 177294253 /nfs/dbraw/zinc/29/42/53/177294253.db2.gz QKMTTWQNAMYNPB-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cscn1 ZINC000348187246 177303518 /nfs/dbraw/zinc/30/35/18/177303518.db2.gz POSXSQPCDDHAHP-IONNQARKSA-N 1 2 246.357 0.666 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2cnn[nH]2)C1 ZINC000336259310 177304018 /nfs/dbraw/zinc/30/40/18/177304018.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000336259310 177304020 /nfs/dbraw/zinc/30/40/20/177304020.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2c[nH]nn2)C1 ZINC000336259310 177304022 /nfs/dbraw/zinc/30/40/22/177304022.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000336259310 177304024 /nfs/dbraw/zinc/30/40/24/177304024.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSCC[N@H+](Cc2cn[nH]n2)C1 ZINC000336259310 177304026 /nfs/dbraw/zinc/30/40/26/177304026.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000336259310 177304028 /nfs/dbraw/zinc/30/40/28/177304028.db2.gz UVIWENLRELADIO-MRVPVSSYSA-N 1 2 212.322 0.990 20 0 BCADLO C[C@H]1CSC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000336554463 177305705 /nfs/dbraw/zinc/30/57/05/177305705.db2.gz VNGDCZKRCSVHQI-IUCAKERBSA-N 1 2 225.317 0.751 20 0 BCADLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000282356383 177322862 /nfs/dbraw/zinc/32/28/62/177322862.db2.gz AKHTUGOSXZYIBK-HBNTYKKESA-N 1 2 237.303 0.813 20 0 BCADLO C[C@H]1C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000076048601 177347145 /nfs/dbraw/zinc/34/71/45/177347145.db2.gz WHAAGXPUMWIWNH-IUCAKERBSA-N 1 2 208.265 0.591 20 0 BCADLO C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CO1 ZINC000331257937 177354128 /nfs/dbraw/zinc/35/41/28/177354128.db2.gz DUMDBPIQLCPAOK-UWVGGRQHSA-N 1 2 223.276 0.424 20 0 BCADLO C[C@H]1NC(=O)N(C[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000329487967 177392792 /nfs/dbraw/zinc/39/27/92/177392792.db2.gz UGUIFUMFCBFWKY-RKDXNWHRSA-N 1 2 248.286 0.905 20 0 BCADLO C[C@H]1OCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000268916342 177398626 /nfs/dbraw/zinc/39/86/26/177398626.db2.gz UXOQQJANEJULQW-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO C[C@H]1OCCN2[C@H](c3c[nH+]cn3C)NC(=O)[C@H]12 ZINC000329017701 177399972 /nfs/dbraw/zinc/39/99/72/177399972.db2.gz RFUXZXYIUDFFCZ-FKTZTGRPSA-N 1 2 236.275 0.478 20 0 BCADLO C[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC000353768877 177461464 /nfs/dbraw/zinc/46/14/64/177461464.db2.gz PZJXAUQKWGRPFL-GFCCVEGCSA-N 1 2 237.303 0.885 20 0 BCADLO Cc1nc(N(C)C2CC2)nc(N(C)C)[nH+]1 ZINC000488382413 225388620 /nfs/dbraw/zinc/38/86/20/225388620.db2.gz VGVKMBVOZTYWKN-UHFFFAOYSA-N 1 2 207.281 0.845 20 0 BCADLO Cc1nc(N(C)C)nc(N(C)C2CC2)[nH+]1 ZINC000488382413 225388626 /nfs/dbraw/zinc/38/86/26/225388626.db2.gz VGVKMBVOZTYWKN-UHFFFAOYSA-N 1 2 207.281 0.845 20 0 BCADLO C[C@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1O ZINC000488132543 225349461 /nfs/dbraw/zinc/34/94/61/225349461.db2.gz WSHIMRPKRAKKFY-JGVFFNPUSA-N 1 2 246.261 0.356 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1O ZINC000488132543 225349463 /nfs/dbraw/zinc/34/94/63/225349463.db2.gz WSHIMRPKRAKKFY-JGVFFNPUSA-N 1 2 246.261 0.356 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCO1 ZINC000557008977 322933102 /nfs/dbraw/zinc/93/31/02/322933102.db2.gz HJMFLRFKZPNDNY-ZJUUUORDSA-N 1 2 223.276 0.567 20 0 BCADLO OCC1(O)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000313669588 487647194 /nfs/dbraw/zinc/64/71/94/487647194.db2.gz DIAQLULAUZKSEW-UHFFFAOYSA-N 1 2 247.298 0.887 20 0 BCADLO Cn1cc(CCNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492808707 226057266 /nfs/dbraw/zinc/05/72/66/226057266.db2.gz DHTCOJBXBNUWDP-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO C[C@H](Cn1cccn1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492821976 226060145 /nfs/dbraw/zinc/06/01/45/226060145.db2.gz GGTTWZDTRGRHDE-UMBAGQNISA-N 1 2 245.286 0.824 20 0 BCADLO Cc1noc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492900213 226079256 /nfs/dbraw/zinc/07/92/56/226079256.db2.gz NOAFTMIXFLMVNQ-IHWYPQMZSA-N 1 2 233.231 0.431 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCn1ccnn1 ZINC000492900577 226080016 /nfs/dbraw/zinc/08/00/16/226080016.db2.gz NWAMCDVCYUTQPS-IHWYPQMZSA-N 1 2 246.274 0.221 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(O)(C(F)F)C1 ZINC000493068057 226116919 /nfs/dbraw/zinc/11/69/19/226116919.db2.gz CEKRGNJQRKQRHU-OWOJBTEDSA-N 1 2 243.213 0.261 20 0 BCADLO C[C@H](Cn1cncn1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069056 226117592 /nfs/dbraw/zinc/11/75/92/226117592.db2.gz FPCKOFDKYSTHCL-GKQMSVHHSA-N 1 2 246.274 0.219 20 0 BCADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493068219 226117606 /nfs/dbraw/zinc/11/76/06/226117606.db2.gz CMTNTKKNDZGVEE-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC(=O)N1C ZINC000493073447 226118413 /nfs/dbraw/zinc/11/84/13/226118413.db2.gz SMIKVXXFTCANTA-NWALNABHSA-N 1 2 248.286 0.112 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](CO)C1CC1 ZINC000493092750 226124420 /nfs/dbraw/zinc/12/44/20/226124420.db2.gz YGZIUOWVEQAVLS-FSIBCCDJSA-N 1 2 235.287 0.558 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](CO)C1CC1 ZINC000493092752 226124661 /nfs/dbraw/zinc/12/46/61/226124661.db2.gz YGZIUOWVEQAVLS-UMBAGQNISA-N 1 2 235.287 0.558 20 0 BCADLO COC[C@@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493097165 226126056 /nfs/dbraw/zinc/12/60/56/226126056.db2.gz XHVRABORAMEIKX-XNPJLODASA-N 1 2 223.276 0.916 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NOCC1CC1 ZINC000493120039 226132590 /nfs/dbraw/zinc/13/25/90/226132590.db2.gz PXRNPNHQYRYQKY-ONEGZZNKSA-N 1 2 207.233 0.881 20 0 BCADLO COC[C@@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493193483 226151317 /nfs/dbraw/zinc/15/13/17/226151317.db2.gz SKFNNGPIHMVHKA-HPOULIHZSA-N 1 2 221.260 0.670 20 0 BCADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1=O ZINC000493403899 226207601 /nfs/dbraw/zinc/20/76/01/226207601.db2.gz RFVGKPUUIBOHAK-QUCGXOGASA-N 1 2 235.243 0.245 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCOC1 ZINC000493433949 226216175 /nfs/dbraw/zinc/21/61/75/226216175.db2.gz PHVWEPNCLYEZKQ-HMDXOVGESA-N 1 2 235.287 0.966 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)C1CC1 ZINC000493527762 226239383 /nfs/dbraw/zinc/23/93/83/226239383.db2.gz ROOBYBSBTXCURM-ONEGZZNKSA-N 1 2 219.244 0.518 20 0 BCADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCO)C1CCC1 ZINC000493580555 226244294 /nfs/dbraw/zinc/24/42/94/226244294.db2.gz ILKCTVUXHQTSPQ-SNAWJCMRSA-N 1 2 235.287 0.796 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccncc1 ZINC000493682335 226249254 /nfs/dbraw/zinc/24/92/54/226249254.db2.gz HVPNGSRHKVTQBZ-OWOJBTEDSA-N 1 2 214.228 0.879 20 0 BCADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCC[C@H]1O ZINC000493716952 226250765 /nfs/dbraw/zinc/25/07/65/226250765.db2.gz DDYCWBNSUNPGDU-GMCFVEKCSA-N 1 2 235.287 0.795 20 0 BCADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](CO)C1 ZINC000493738037 226252012 /nfs/dbraw/zinc/25/20/12/226252012.db2.gz IJAVRUNFZQQOPO-UMBAGQNISA-N 1 2 235.287 0.654 20 0 BCADLO C[C@H](CO)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493773840 226253407 /nfs/dbraw/zinc/25/34/07/226253407.db2.gz XWEYEVBJCHVGHP-LWTINBJPSA-N 1 2 237.303 0.948 20 0 BCADLO C[C@H](CO)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493803504 226254974 /nfs/dbraw/zinc/25/49/74/226254974.db2.gz OWRBWXLLPCYFHB-NESOUNQCSA-N 1 2 223.276 0.556 20 0 BCADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C(=O)O1 ZINC000493814510 226255325 /nfs/dbraw/zinc/25/53/25/226255325.db2.gz DXTPDXJOKVKJRC-SDVYQTCLSA-N 1 2 235.243 0.243 20 0 BCADLO Cc1nc(N2CCN3C(=O)OCC[C@@H]3C2)cc[nH+]1 ZINC000494084973 226260872 /nfs/dbraw/zinc/26/08/72/226260872.db2.gz FPNVKIICWLOVHG-SNVBAGLBSA-N 1 2 248.286 0.816 20 0 BCADLO CO[NH+]=C(N)CNC(=O)OC(C)(C)C ZINC000496352880 226302596 /nfs/dbraw/zinc/30/25/96/226302596.db2.gz VQTWHIXVIVMJFM-UHFFFAOYSA-N 1 2 203.242 0.639 20 0 BCADLO C[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496704613 226312158 /nfs/dbraw/zinc/31/21/58/226312158.db2.gz ZDELJAJCHXSEAN-UWVGGRQHSA-N 1 2 227.308 0.073 20 0 BCADLO C[C@H]1CN(C)CC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496704613 226312159 /nfs/dbraw/zinc/31/21/59/226312159.db2.gz ZDELJAJCHXSEAN-UWVGGRQHSA-N 1 2 227.308 0.073 20 0 BCADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ncn1 ZINC000496712705 226312181 /nfs/dbraw/zinc/31/21/81/226312181.db2.gz ACYBMBNNTSYGFE-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ncn1 ZINC000496712705 226312182 /nfs/dbraw/zinc/31/21/82/226312182.db2.gz ACYBMBNNTSYGFE-LLVKDONJSA-N 1 2 248.286 0.421 20 0 BCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)OC1CCC1 ZINC000497020570 226320220 /nfs/dbraw/zinc/32/02/20/226320220.db2.gz KRJFWPDCSRLAGO-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)OC1CCC1 ZINC000497020570 226320221 /nfs/dbraw/zinc/32/02/21/226320221.db2.gz KRJFWPDCSRLAGO-SNVBAGLBSA-N 1 2 242.319 0.986 20 0 BCADLO Cc1ncccc1CC(=O)NCCn1cc[nH+]c1 ZINC000505563241 226356712 /nfs/dbraw/zinc/35/67/12/226356712.db2.gz CMYQVXLHOQUNMA-UHFFFAOYSA-N 1 2 244.298 0.945 20 0 BCADLO Cc1cncc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000680828434 487653076 /nfs/dbraw/zinc/65/30/76/487653076.db2.gz AHUQPEMZSAFDQF-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cncc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000680828434 487653080 /nfs/dbraw/zinc/65/30/80/487653080.db2.gz AHUQPEMZSAFDQF-NSHDSACASA-N 1 2 236.319 0.918 20 0 BCADLO C[N@H+](Cc1cscn1)[C@@]1(CO)CCOC1 ZINC000680866232 487661671 /nfs/dbraw/zinc/66/16/71/487661671.db2.gz YOZIOLGEFGFJRV-SNVBAGLBSA-N 1 2 228.317 0.726 20 0 BCADLO C[N@@H+](Cc1cscn1)[C@@]1(CO)CCOC1 ZINC000680866232 487661673 /nfs/dbraw/zinc/66/16/73/487661673.db2.gz YOZIOLGEFGFJRV-SNVBAGLBSA-N 1 2 228.317 0.726 20 0 BCADLO C[C@@H]1C[N@@H+](CCN(C)Cc2cn[nH]c2)CCO1 ZINC000669691416 487666453 /nfs/dbraw/zinc/66/64/53/487666453.db2.gz QDXSQWWOLKBVJN-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H]1C[N@H+](CCN(C)Cc2cn[nH]c2)CCO1 ZINC000669691416 487666446 /nfs/dbraw/zinc/66/64/46/487666446.db2.gz QDXSQWWOLKBVJN-LLVKDONJSA-N 1 2 238.335 0.562 20 0 BCADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)C(F)F ZINC000228514818 487669357 /nfs/dbraw/zinc/66/93/57/487669357.db2.gz UDSPACQUVGYKIE-WDSKDSINSA-N 1 2 215.265 0.663 20 0 BCADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](O)C1 ZINC000557657139 322940490 /nfs/dbraw/zinc/94/04/90/322940490.db2.gz VJEXKDHKUXMISE-MWLCHTKSSA-N 1 2 235.287 0.039 20 0 BCADLO COCCOCC[NH2+][C@@H](C)c1csnn1 ZINC000398428300 262761140 /nfs/dbraw/zinc/76/11/40/262761140.db2.gz SVZXRPWMDHKFEA-QMMMGPOBSA-N 1 2 231.321 0.852 20 0 BCADLO CCn1ncnc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510120270 229291983 /nfs/dbraw/zinc/29/19/83/229291983.db2.gz MNTUIXMPROOHOJ-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1ncnc1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510120270 229291985 /nfs/dbraw/zinc/29/19/85/229291985.db2.gz MNTUIXMPROOHOJ-AOOOYVTPSA-N 1 2 224.308 0.907 20 0 BCADLO O=C(CCCn1cc[nH+]c1)NC[C@H](O)C1CC1 ZINC000675280942 487685127 /nfs/dbraw/zinc/68/51/27/487685127.db2.gz OTJBWHNIASMDEB-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO COc1nccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000660142131 487685559 /nfs/dbraw/zinc/68/55/59/487685559.db2.gz OMDUWSXFMSKHEO-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO CCc1cc(N[C@@H]2COC[C@@H]2OC)nc[nH+]1 ZINC000665740595 487687333 /nfs/dbraw/zinc/68/73/33/487687333.db2.gz QKOZIKJQJDKTTM-ZJUUUORDSA-N 1 2 223.276 0.865 20 0 BCADLO Cc1cc(NC[C@@H]2CCCNC2=O)nc[nH+]1 ZINC000665740950 487692188 /nfs/dbraw/zinc/69/21/88/487692188.db2.gz VYGFVJGGEVBTCE-VIFPVBQESA-N 1 2 220.276 0.723 20 0 BCADLO COC[C@@](C)(CCO)[NH2+]Cc1csnn1 ZINC000308900351 487692956 /nfs/dbraw/zinc/69/29/56/487692956.db2.gz BFPRBYWRWZXAPL-SECBINFHSA-N 1 2 231.321 0.415 20 0 BCADLO CC(C)(C)[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279787313 487694083 /nfs/dbraw/zinc/69/40/83/487694083.db2.gz FWRLFOBICRCCJZ-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279787313 487694089 /nfs/dbraw/zinc/69/40/89/487694089.db2.gz FWRLFOBICRCCJZ-SNVBAGLBSA-N 1 2 239.319 0.866 20 0 BCADLO C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC(=O)N1C ZINC000669700710 487696377 /nfs/dbraw/zinc/69/63/77/487696377.db2.gz LHXDXOPJMKEWHI-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC(=O)N1C ZINC000669700710 487696382 /nfs/dbraw/zinc/69/63/82/487696382.db2.gz LHXDXOPJMKEWHI-SNVBAGLBSA-N 1 2 249.314 0.048 20 0 BCADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCO ZINC000671711592 487701887 /nfs/dbraw/zinc/70/18/87/487701887.db2.gz FRZTVRQJBCHJSR-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCO ZINC000671711592 487701891 /nfs/dbraw/zinc/70/18/91/487701891.db2.gz FRZTVRQJBCHJSR-BQBZGAKWSA-N 1 2 213.199 0.630 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCOC1 ZINC000682032624 487705274 /nfs/dbraw/zinc/70/52/74/487705274.db2.gz IMWDTKAYVXNASC-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@H]1CCOC1 ZINC000682032624 487705280 /nfs/dbraw/zinc/70/52/80/487705280.db2.gz IMWDTKAYVXNASC-RKDXNWHRSA-N 1 2 221.247 0.725 20 0 BCADLO Cn1c[nH+]c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000683897682 487709996 /nfs/dbraw/zinc/70/99/96/487709996.db2.gz FKBMWCFUJPACOG-VXGBXAGGSA-N 1 2 248.330 0.663 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902993785 584711486 /nfs/dbraw/zinc/71/14/86/584711486.db2.gz XZVQBQKGCMVTIG-VIFPVBQESA-N 1 2 202.273 0.947 20 0 BCADLO CCCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902993785 584711487 /nfs/dbraw/zinc/71/14/87/584711487.db2.gz XZVQBQKGCMVTIG-VIFPVBQESA-N 1 2 202.273 0.947 20 0 BCADLO CCn1nccc1C[N@H+](CC)CC(=O)N(C)C ZINC000678138807 487722252 /nfs/dbraw/zinc/72/22/52/487722252.db2.gz AESOQHGNDLYKCD-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO CCn1nccc1C[N@@H+](CC)CC(=O)N(C)C ZINC000678138807 487722258 /nfs/dbraw/zinc/72/22/58/487722258.db2.gz AESOQHGNDLYKCD-UHFFFAOYSA-N 1 2 238.335 0.813 20 0 BCADLO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000681102302 487723444 /nfs/dbraw/zinc/72/34/44/487723444.db2.gz JAIHKYVNEJUVLY-SRVKXCTJSA-N 1 2 239.363 0.395 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1C ZINC000681105231 487725406 /nfs/dbraw/zinc/72/54/06/487725406.db2.gz RCOJQPTVBGJFOT-SRVKXCTJSA-N 1 2 239.363 0.395 20 0 BCADLO COc1nccnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000668422054 487725891 /nfs/dbraw/zinc/72/58/91/487725891.db2.gz ORHQBBMKPHPJOU-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO COc1nccnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000668422054 487725898 /nfs/dbraw/zinc/72/58/98/487725898.db2.gz ORHQBBMKPHPJOU-UHFFFAOYSA-N 1 2 233.275 0.840 20 0 BCADLO Cc1nnc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)[nH]1 ZINC000661596677 487727116 /nfs/dbraw/zinc/72/71/16/487727116.db2.gz KEXDXGVIYGFFNG-UWVGGRQHSA-N 1 2 249.318 0.214 20 0 BCADLO Cc1nnc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)[nH]1 ZINC000661596677 487727122 /nfs/dbraw/zinc/72/71/22/487727122.db2.gz KEXDXGVIYGFFNG-UWVGGRQHSA-N 1 2 249.318 0.214 20 0 BCADLO O=C(NCCCNc1cccc[nH+]1)[C@H](O)C1CC1 ZINC000668896664 487728575 /nfs/dbraw/zinc/72/85/75/487728575.db2.gz YXNJQWMLQLPYFF-GFCCVEGCSA-N 1 2 249.314 0.771 20 0 BCADLO c1cc(CNc2nc[nH+]c3c2OCCN3)n[nH]1 ZINC000665692027 487731367 /nfs/dbraw/zinc/73/13/67/487731367.db2.gz RSNDUZRGLOGIEJ-UHFFFAOYSA-N 1 2 232.247 0.616 20 0 BCADLO c1cc(CNc2[nH+]cnc3c2OCCN3)n[nH]1 ZINC000665692027 487731372 /nfs/dbraw/zinc/73/13/72/487731372.db2.gz RSNDUZRGLOGIEJ-UHFFFAOYSA-N 1 2 232.247 0.616 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1nc[nH+]c2c1OCCN2 ZINC000665714142 487737291 /nfs/dbraw/zinc/73/72/91/487737291.db2.gz ZPCXWNGPHFQZBP-SFYZADRCSA-N 1 2 236.275 0.240 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1[nH+]cnc2c1OCCN2 ZINC000665714142 487737292 /nfs/dbraw/zinc/73/72/92/487737292.db2.gz ZPCXWNGPHFQZBP-SFYZADRCSA-N 1 2 236.275 0.240 20 0 BCADLO CC1(CCNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665715745 487738701 /nfs/dbraw/zinc/73/87/01/487738701.db2.gz HWJHFUZEPNIZDV-UHFFFAOYSA-N 1 2 234.303 0.996 20 0 BCADLO CC1(CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665715745 487738708 /nfs/dbraw/zinc/73/87/08/487738708.db2.gz HWJHFUZEPNIZDV-UHFFFAOYSA-N 1 2 234.303 0.996 20 0 BCADLO C[NH+](C)CCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896340 487742988 /nfs/dbraw/zinc/74/29/88/487742988.db2.gz JSLIVDOBKVSFKX-UHFFFAOYSA-N 1 2 209.249 0.753 20 0 BCADLO CCc1nnc(C[N@H+](C)C(C)(C)CO)[nH]1 ZINC000681209528 487749149 /nfs/dbraw/zinc/74/91/49/487749149.db2.gz RGWIKBASBPWCJV-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@@H+](C)C(C)(C)CO)[nH]1 ZINC000681209528 487749151 /nfs/dbraw/zinc/74/91/51/487749151.db2.gz RGWIKBASBPWCJV-UHFFFAOYSA-N 1 2 212.297 0.570 20 0 BCADLO CCc1nnc(C[N@H+](C)C2(COC)CC2)[nH]1 ZINC000681216088 487749451 /nfs/dbraw/zinc/74/94/51/487749451.db2.gz RGHWUKDBQMZCRI-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO CCc1nnc(C[N@@H+](C)C2(COC)CC2)[nH]1 ZINC000681216088 487749455 /nfs/dbraw/zinc/74/94/55/487749455.db2.gz RGHWUKDBQMZCRI-UHFFFAOYSA-N 1 2 224.308 0.978 20 0 BCADLO O=C(C1CC2(CC2)C1)N1CC[NH+](CCO)CC1 ZINC000666190603 487753515 /nfs/dbraw/zinc/75/35/15/487753515.db2.gz RZUNEABODHOTJG-UHFFFAOYSA-N 1 2 238.331 0.313 20 0 BCADLO C[C@@H](CCO)CNC(=O)CCCn1cc[nH+]c1 ZINC000675621483 487753886 /nfs/dbraw/zinc/75/38/86/487753886.db2.gz ANEGRTZVRYFDGC-NSHDSACASA-N 1 2 239.319 0.798 20 0 BCADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000839027698 585088224 /nfs/dbraw/zinc/08/82/24/585088224.db2.gz OWIPWAYYZSSPSB-IONNQARKSA-N 1 2 223.263 0.705 20 0 BCADLO CNC(=S)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788333647 585134126 /nfs/dbraw/zinc/13/41/26/585134126.db2.gz OTIVORWJCKHIEM-VIFPVBQESA-N 1 2 231.365 0.143 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCCOC[C@@H]1C ZINC000749511818 585202879 /nfs/dbraw/zinc/20/28/79/585202879.db2.gz QNMNPLPTTFICMN-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCCOC[C@@H]1C ZINC000749511818 585202880 /nfs/dbraw/zinc/20/28/80/585202880.db2.gz QNMNPLPTTFICMN-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO O=C(NCCCCn1cc[nH+]c1)C1(O)CCC1 ZINC000681272255 487765935 /nfs/dbraw/zinc/76/59/35/487765935.db2.gz FJSUATHQWXPRIE-UHFFFAOYSA-N 1 2 237.303 0.695 20 0 BCADLO COC[C@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668449025 487771156 /nfs/dbraw/zinc/77/11/56/487771156.db2.gz ZMFFEKCMEKWHCP-QMMMGPOBSA-N 1 2 227.264 0.030 20 0 BCADLO COC[C@@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668449023 487771196 /nfs/dbraw/zinc/77/11/96/487771196.db2.gz ZMFFEKCMEKWHCP-MRVPVSSYSA-N 1 2 227.264 0.030 20 0 BCADLO CCC[N@H+](CC(N)=O)Cc1cc2n(n1)CCC2 ZINC000649617406 487773017 /nfs/dbraw/zinc/77/30/17/487773017.db2.gz HGTAKMLYGKBMFY-UHFFFAOYSA-N 1 2 236.319 0.527 20 0 BCADLO CCC[N@@H+](CC(N)=O)Cc1cc2n(n1)CCC2 ZINC000649617406 487773024 /nfs/dbraw/zinc/77/30/24/487773024.db2.gz HGTAKMLYGKBMFY-UHFFFAOYSA-N 1 2 236.319 0.527 20 0 BCADLO Cc1cc(C(=O)Nc2cc[nH+]cc2N(C)C)n[nH]1 ZINC000681363641 487785068 /nfs/dbraw/zinc/78/50/68/487785068.db2.gz SYQUYZQBBVJTSM-UHFFFAOYSA-N 1 2 245.286 0.853 20 0 BCADLO C[C@@H](CC(=O)N(C)CCC(N)=O)n1cc[nH+]c1 ZINC000652139770 487793084 /nfs/dbraw/zinc/79/30/84/487793084.db2.gz TZSXVCWKZDZUOL-VIFPVBQESA-N 1 2 238.291 0.168 20 0 BCADLO O=C(NCCCn1cc[nH+]c1)NCC1CC1 ZINC000047597916 487793626 /nfs/dbraw/zinc/79/36/26/487793626.db2.gz UITVCFYZWJGOBM-UHFFFAOYSA-N 1 2 222.292 0.982 20 0 BCADLO C[C@@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)[NH+](C)C ZINC000675940741 487795263 /nfs/dbraw/zinc/79/52/63/487795263.db2.gz ISYGOMQIOXNKOS-WCBMZHEXSA-N 1 2 236.319 0.853 20 0 BCADLO COc1ccc(C[N@H+](C)CC(N)=O)c(F)c1 ZINC000651612109 487798187 /nfs/dbraw/zinc/79/81/87/487798187.db2.gz AALKNTAFOMIPSX-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COc1ccc(C[N@@H+](C)CC(N)=O)c(F)c1 ZINC000651612109 487798189 /nfs/dbraw/zinc/79/81/89/487798189.db2.gz AALKNTAFOMIPSX-UHFFFAOYSA-N 1 2 226.251 0.751 20 0 BCADLO COCC1CC[NH+](Cc2nnnn2C)CC1 ZINC000408147003 487801705 /nfs/dbraw/zinc/80/17/05/487801705.db2.gz YFRFDTNJWDVNFO-UHFFFAOYSA-N 1 2 225.296 0.069 20 0 BCADLO COCC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000154939252 487806511 /nfs/dbraw/zinc/80/65/11/487806511.db2.gz QJPWNHKUAGVXQE-UHFFFAOYSA-N 1 2 224.308 1.000 20 0 BCADLO COCC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000154939252 487806518 /nfs/dbraw/zinc/80/65/18/487806518.db2.gz QJPWNHKUAGVXQE-UHFFFAOYSA-N 1 2 224.308 1.000 20 0 BCADLO Cc1nc(N(C)C)nc(N[C@@H](C)CCCO)[nH+]1 ZINC000676081726 487811898 /nfs/dbraw/zinc/81/18/98/487811898.db2.gz DOOSHHWVVQVXPR-QMMMGPOBSA-N 1 2 239.323 0.819 20 0 BCADLO Cc1nc(N[C@@H](C)CCCO)nc(N(C)C)[nH+]1 ZINC000676081726 487811900 /nfs/dbraw/zinc/81/19/00/487811900.db2.gz DOOSHHWVVQVXPR-QMMMGPOBSA-N 1 2 239.323 0.819 20 0 BCADLO CN(CCCn1cc[nH+]c1)C(=O)Cn1cncn1 ZINC000676110753 487814453 /nfs/dbraw/zinc/81/44/53/487814453.db2.gz ARDYZCAKQJWPOS-UHFFFAOYSA-N 1 2 248.290 0.023 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@]1(C)CCOC1 ZINC000681584471 487818675 /nfs/dbraw/zinc/81/86/75/487818675.db2.gz ARSYMQQKLMHKEC-LLVKDONJSA-N 1 2 223.276 0.258 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NC1([C@@H](C)O)CC1 ZINC000666492328 487820817 /nfs/dbraw/zinc/82/08/17/487820817.db2.gz CMZJVYUXPUZMBF-SECBINFHSA-N 1 2 235.287 0.847 20 0 BCADLO Cc1cc(NC(=O)N2CC[C@@]3(O)C[C@H]3C2)cc[nH+]1 ZINC000666490612 487820936 /nfs/dbraw/zinc/82/09/36/487820936.db2.gz SCMRDJOJEZKKCR-GXFFZTMASA-N 1 2 247.298 0.801 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)[nH]1 ZINC000681602985 487821740 /nfs/dbraw/zinc/82/17/40/487821740.db2.gz JBCJCZHTZOQIRM-SECBINFHSA-N 1 2 247.306 0.406 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@@H](n3cncn3)C2)[nH]1 ZINC000681602985 487821741 /nfs/dbraw/zinc/82/17/41/487821741.db2.gz JBCJCZHTZOQIRM-SECBINFHSA-N 1 2 247.306 0.406 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](F)C1 ZINC000649938085 487824428 /nfs/dbraw/zinc/82/44/28/487824428.db2.gz UUFHDMMZBXZRRT-DCAQKATOSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](F)C1 ZINC000649938085 487824434 /nfs/dbraw/zinc/82/44/34/487824434.db2.gz UUFHDMMZBXZRRT-DCAQKATOSA-N 1 2 244.310 0.714 20 0 BCADLO CCc1noc([C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466047 487824605 /nfs/dbraw/zinc/82/46/05/487824605.db2.gz VUMREAHFBRXFJS-XHNCKOQMSA-N 1 2 241.291 0.121 20 0 BCADLO CCc1noc([C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466047 487824609 /nfs/dbraw/zinc/82/46/09/487824609.db2.gz VUMREAHFBRXFJS-XHNCKOQMSA-N 1 2 241.291 0.121 20 0 BCADLO CC(F)(F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000786993859 585899582 /nfs/dbraw/zinc/89/95/82/585899582.db2.gz CDIXJGZERLSJGR-UHFFFAOYSA-N 1 2 218.247 0.948 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)C1(CO)CC1 ZINC000796499987 586105133 /nfs/dbraw/zinc/10/51/33/586105133.db2.gz CLFMAWFNUVKRFG-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C1(CO)CC1 ZINC000796499987 586105134 /nfs/dbraw/zinc/10/51/34/586105134.db2.gz CLFMAWFNUVKRFG-SECBINFHSA-N 1 2 215.293 0.785 20 0 BCADLO C[C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000810091543 586533590 /nfs/dbraw/zinc/53/35/90/586533590.db2.gz AKBOAEPUEMSTEU-NTSWFWBYSA-N 1 2 230.205 0.953 20 0 BCADLO CC(C)[C@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493264453 527942059 /nfs/dbraw/zinc/94/20/59/527942059.db2.gz RJRADMGTYNBOQW-ITKZLYELSA-N 1 2 237.303 0.946 20 0 BCADLO CCO/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000493823853 528459344 /nfs/dbraw/zinc/45/93/44/528459344.db2.gz OGBAARXRPUQURV-ZZXKWVIFSA-N 1 2 221.260 0.817 20 0 BCADLO CCO/C=C/C(=O)NCc1[nH+]ccn1C ZINC000492899987 528486654 /nfs/dbraw/zinc/48/66/54/528486654.db2.gz UMGUHGZCLFOVSU-QPJJXVBHSA-N 1 2 209.249 0.587 20 0 BCADLO O=C(c1cc[nH]c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340433 487839610 /nfs/dbraw/zinc/83/96/10/487839610.db2.gz FKJSZZQRYUZHGH-GFCCVEGCSA-N 1 2 249.314 0.561 20 0 BCADLO CS(=O)(=O)CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000371571814 487840610 /nfs/dbraw/zinc/84/06/10/487840610.db2.gz MQZQSJAZCLVMPC-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO CS(=O)(=O)CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000371571814 487840614 /nfs/dbraw/zinc/84/06/14/487840614.db2.gz MQZQSJAZCLVMPC-WDEREUQCSA-N 1 2 247.360 0.674 20 0 BCADLO C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)CC(=O)N1C ZINC000668108022 487840948 /nfs/dbraw/zinc/84/09/48/487840948.db2.gz PUEXBZYVOLJNKM-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)CC(=O)N1C ZINC000668108022 487840953 /nfs/dbraw/zinc/84/09/53/487840953.db2.gz PUEXBZYVOLJNKM-SNVBAGLBSA-N 1 2 248.330 0.492 20 0 BCADLO CC1(C)OC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000851766860 588625118 /nfs/dbraw/zinc/62/51/18/588625118.db2.gz OYSOFLLFDKHJJO-VIFPVBQESA-N 1 2 233.333 0.202 20 0 BCADLO CCN(Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000505611237 528871118 /nfs/dbraw/zinc/87/11/18/528871118.db2.gz QUIGESOFVWFJEK-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668995309 487844037 /nfs/dbraw/zinc/84/40/37/487844037.db2.gz KGDVEICTVVOEFC-PSASIEDQSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668995309 487844042 /nfs/dbraw/zinc/84/40/42/487844042.db2.gz KGDVEICTVVOEFC-PSASIEDQSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668995310 487843729 /nfs/dbraw/zinc/84/37/29/487843729.db2.gz KGDVEICTVVOEFC-SCZZXKLOSA-N 1 2 223.276 0.841 20 0 BCADLO CO[C@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668995310 487843734 /nfs/dbraw/zinc/84/37/34/487843734.db2.gz KGDVEICTVVOEFC-SCZZXKLOSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC=C(Cl)C1 ZINC000878793260 590624266 /nfs/dbraw/zinc/62/42/66/590624266.db2.gz KQCAADCTFDHPHY-ZCFIWIBFSA-N 1 2 231.683 0.398 20 0 BCADLO O=c1[nH]nc(C[NH+]2CCC(F)CC2)[nH]1 ZINC000880240081 590974424 /nfs/dbraw/zinc/97/44/24/590974424.db2.gz LREDRZSEVQOQPM-UHFFFAOYSA-N 1 2 200.217 0.444 20 0 BCADLO Cc1[nH]c(C(=O)N[C@H](CO)CCF)c[nH+]1 ZINC000652917515 487848943 /nfs/dbraw/zinc/84/89/43/487848943.db2.gz ZABANKVZWCNSLP-ZETCQYMHSA-N 1 2 215.228 0.168 20 0 BCADLO CCO[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000676414309 487850200 /nfs/dbraw/zinc/85/02/00/487850200.db2.gz TWCKWLNBJQIIHX-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO CCO[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000676414309 487850205 /nfs/dbraw/zinc/85/02/05/487850205.db2.gz TWCKWLNBJQIIHX-NSHDSACASA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@@H](C)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668497899 487855080 /nfs/dbraw/zinc/85/50/80/487855080.db2.gz LFBYFHWLIYANMQ-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO COC[C@@H](C)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668497899 487855084 /nfs/dbraw/zinc/85/50/84/487855084.db2.gz LFBYFHWLIYANMQ-IUCAKERBSA-N 1 2 223.263 0.971 20 0 BCADLO CC[C@@H](C)[C@H]([NH2+][C@H](CC)CO)C(=O)OC ZINC000931771632 640363807 /nfs/dbraw/zinc/36/38/07/640363807.db2.gz HJLKKHIONMCIGQ-BBBLOLIVSA-N 1 2 217.309 0.935 20 0 BCADLO C[C@@H]1CC(=O)NCCN1Cc1c[nH+]c2n1CCC2 ZINC000668171898 487861820 /nfs/dbraw/zinc/86/18/20/487861820.db2.gz XZTVXBKUNSTRTH-SNVBAGLBSA-N 1 2 248.330 0.540 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668171898 487861825 /nfs/dbraw/zinc/86/18/25/487861825.db2.gz XZTVXBKUNSTRTH-SNVBAGLBSA-N 1 2 248.330 0.540 20 0 BCADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cnc2n1CCC2 ZINC000668171898 487861828 /nfs/dbraw/zinc/86/18/28/487861828.db2.gz XZTVXBKUNSTRTH-SNVBAGLBSA-N 1 2 248.330 0.540 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000408182067 487863498 /nfs/dbraw/zinc/86/34/98/487863498.db2.gz HBHKHJZKEULNHS-VIFPVBQESA-N 1 2 246.376 0.311 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000408182067 487863502 /nfs/dbraw/zinc/86/35/02/487863502.db2.gz HBHKHJZKEULNHS-VIFPVBQESA-N 1 2 246.376 0.311 20 0 BCADLO COCc1nnc(C[NH2+]C[C@@H]2C[C@H]2C)[nH]1 ZINC000668510167 487866651 /nfs/dbraw/zinc/86/66/51/487866651.db2.gz OFWAKVSXRMTDRR-SFYZADRCSA-N 1 2 210.281 0.697 20 0 BCADLO COCc1nnc(C[NH2+]C[C@H](C)COC)[nH]1 ZINC000668510561 487869692 /nfs/dbraw/zinc/86/96/92/487869692.db2.gz VJSABTURFVIMDT-QMMMGPOBSA-N 1 2 228.296 0.323 20 0 BCADLO Cc1cc(N2CC(F)(F)C[C@H]2CO)nc[nH+]1 ZINC000681997574 487877095 /nfs/dbraw/zinc/87/70/95/487877095.db2.gz XAASPEJVDKINBM-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000676588348 487877644 /nfs/dbraw/zinc/87/76/44/487877644.db2.gz XEKVAKVZJSWIIH-SNVBAGLBSA-N 1 2 249.314 0.974 20 0 BCADLO CCc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065309 487881983 /nfs/dbraw/zinc/88/19/83/487881983.db2.gz SDIPOBSHUSFPBZ-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO CCc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065309 487881989 /nfs/dbraw/zinc/88/19/89/487881989.db2.gz SDIPOBSHUSFPBZ-UHFFFAOYSA-N 1 2 211.265 0.589 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682034241 487886692 /nfs/dbraw/zinc/88/66/92/487886692.db2.gz QNLRYOKKGXMRIQ-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO C[C@@H](CO)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682034241 487886694 /nfs/dbraw/zinc/88/66/94/487886694.db2.gz QNLRYOKKGXMRIQ-SFYZADRCSA-N 1 2 209.236 0.317 20 0 BCADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000671245093 487887649 /nfs/dbraw/zinc/88/76/49/487887649.db2.gz QRBOLGDINFJJCA-UHFFFAOYSA-N 1 2 240.328 0.583 20 0 BCADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000671245093 487887658 /nfs/dbraw/zinc/88/76/58/487887658.db2.gz QRBOLGDINFJJCA-UHFFFAOYSA-N 1 2 240.328 0.583 20 0 BCADLO CC[C@H](NC(=O)c1cnn(C)c1N)c1[nH]cc[nH+]1 ZINC000682040920 487888221 /nfs/dbraw/zinc/88/82/21/487888221.db2.gz LODZHOYJWNJSPY-QMMMGPOBSA-N 1 2 248.290 0.607 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000676704098 487896241 /nfs/dbraw/zinc/89/62/41/487896241.db2.gz FMIZCUHJFLJIDQ-QMMMGPOBSA-N 1 2 210.281 0.318 20 0 BCADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000676704098 487896247 /nfs/dbraw/zinc/89/62/47/487896247.db2.gz FMIZCUHJFLJIDQ-QMMMGPOBSA-N 1 2 210.281 0.318 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666884653 487896877 /nfs/dbraw/zinc/89/68/77/487896877.db2.gz RWOUYQMQZVBOMH-VIFPVBQESA-N 1 2 237.303 0.619 20 0 BCADLO COCCN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666884653 487896878 /nfs/dbraw/zinc/89/68/78/487896878.db2.gz RWOUYQMQZVBOMH-VIFPVBQESA-N 1 2 237.303 0.619 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000670273412 487897197 /nfs/dbraw/zinc/89/71/97/487897197.db2.gz REOCLEZNULFJJE-GFCCVEGCSA-N 1 2 241.310 0.889 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000670273412 487897204 /nfs/dbraw/zinc/89/72/04/487897204.db2.gz REOCLEZNULFJJE-GFCCVEGCSA-N 1 2 241.310 0.889 20 0 BCADLO C[C@H]1COCCC[N@@H+]1Cc1nncn1C ZINC000676710793 487899494 /nfs/dbraw/zinc/89/94/94/487899494.db2.gz KESVUPTYUOSDBF-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1COCCC[N@H+]1Cc1nncn1C ZINC000676710793 487899498 /nfs/dbraw/zinc/89/94/98/487899498.db2.gz KESVUPTYUOSDBF-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2nccs2)C1 ZINC000676715927 487903282 /nfs/dbraw/zinc/90/32/82/487903282.db2.gz OMIFEKBQAXIAAX-OCAPTIKFSA-N 1 2 214.290 0.071 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2nccs2)C1 ZINC000676715927 487903288 /nfs/dbraw/zinc/90/32/88/487903288.db2.gz OMIFEKBQAXIAAX-OCAPTIKFSA-N 1 2 214.290 0.071 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCCNC1=O ZINC000682092760 487908099 /nfs/dbraw/zinc/90/80/99/487908099.db2.gz ABLJMORMXUFOMP-QMMMGPOBSA-N 1 2 208.265 0.120 20 0 BCADLO C[C@H](CNC(=O)c1cccc2[nH]nnc21)[NH+](C)C ZINC000682153953 487915998 /nfs/dbraw/zinc/91/59/98/487915998.db2.gz YRCIXJOBEFQZEU-MRVPVSSYSA-N 1 2 247.302 0.638 20 0 BCADLO CCC[C@H](O)CC(=O)NCc1[nH]cc[nH+]1 ZINC000676750852 487917902 /nfs/dbraw/zinc/91/79/02/487917902.db2.gz SSHOIMSYTGYJBA-QMMMGPOBSA-N 1 2 211.265 0.577 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn[nH]c1 ZINC000682169450 487923857 /nfs/dbraw/zinc/92/38/57/487923857.db2.gz XUKKQWVIULWQKU-LLVKDONJSA-N 1 2 236.319 0.756 20 0 BCADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn[nH]c1 ZINC000682169450 487923864 /nfs/dbraw/zinc/92/38/64/487923864.db2.gz XUKKQWVIULWQKU-LLVKDONJSA-N 1 2 236.319 0.756 20 0 BCADLO C[C@@H]1C[C@H]1C[N@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558226 487931104 /nfs/dbraw/zinc/93/11/04/487931104.db2.gz ZTWFIEWJFZTSPR-NEPJUHHUSA-N 1 2 241.379 0.594 20 0 BCADLO C[C@@H]1C[C@H]1C[N@@H+](CCN(C)C)CC(=O)N(C)C ZINC000668558226 487931107 /nfs/dbraw/zinc/93/11/07/487931107.db2.gz ZTWFIEWJFZTSPR-NEPJUHHUSA-N 1 2 241.379 0.594 20 0 BCADLO Cc1cnn(CC[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676798071 487932105 /nfs/dbraw/zinc/93/21/05/487932105.db2.gz YLACSTKZDAFBJB-UHFFFAOYSA-N 1 2 231.303 0.973 20 0 BCADLO Cc1cnn(CC[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676798071 487932109 /nfs/dbraw/zinc/93/21/09/487932109.db2.gz YLACSTKZDAFBJB-UHFFFAOYSA-N 1 2 231.303 0.973 20 0 BCADLO C(C[NH+]1CCOCC1)Nc1nnc(C2CC2)o1 ZINC000682236252 487932597 /nfs/dbraw/zinc/93/25/97/487932597.db2.gz DDDXIQPIOQUGRS-UHFFFAOYSA-N 1 2 238.291 0.691 20 0 BCADLO C[C@H]1[N@H+](Cc2nc(=O)n(C)[nH]2)CCOC1(C)C ZINC000408195836 487936973 /nfs/dbraw/zinc/93/69/73/487936973.db2.gz VLCXTELWDSIGSZ-MRVPVSSYSA-N 1 2 240.307 0.108 20 0 BCADLO C[C@H]1[N@@H+](Cc2nc(=O)n(C)[nH]2)CCOC1(C)C ZINC000408195836 487936976 /nfs/dbraw/zinc/93/69/76/487936976.db2.gz VLCXTELWDSIGSZ-MRVPVSSYSA-N 1 2 240.307 0.108 20 0 BCADLO CC[C@@]1(C)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000682365094 487940085 /nfs/dbraw/zinc/94/00/85/487940085.db2.gz XWZAETFAGHAMPG-LBPRGKRZSA-N 1 2 237.303 0.911 20 0 BCADLO Cc1nc(C[N@@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000676888979 487942101 /nfs/dbraw/zinc/94/21/01/487942101.db2.gz ZYWOFKQXHOTRTR-MRVPVSSYSA-N 1 2 224.264 0.075 20 0 BCADLO Cc1nc(C[N@H+]2CC[C@H](CC(N)=O)C2)no1 ZINC000676888979 487942106 /nfs/dbraw/zinc/94/21/06/487942106.db2.gz ZYWOFKQXHOTRTR-MRVPVSSYSA-N 1 2 224.264 0.075 20 0 BCADLO CCCCn1nnnc1C[N@H+](CCC)CCO ZINC000049826725 487943133 /nfs/dbraw/zinc/94/31/33/487943133.db2.gz MEODXWHMCAIZAE-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO CCCCn1nnnc1C[N@@H+](CCC)CCO ZINC000049826725 487943136 /nfs/dbraw/zinc/94/31/36/487943136.db2.gz MEODXWHMCAIZAE-UHFFFAOYSA-N 1 2 241.339 0.678 20 0 BCADLO C[C@@H]1C[N@H+](C)CCN1c1nc2[nH]ncc2c(=O)[nH]1 ZINC000682392177 487945327 /nfs/dbraw/zinc/94/53/27/487945327.db2.gz BQZROBWQSKZCOK-SSDOTTSWSA-N 1 2 248.290 0.199 20 0 BCADLO C[C@@H]1C[N@@H+](C)CCN1c1nc2[nH]ncc2c(=O)[nH]1 ZINC000682392177 487945329 /nfs/dbraw/zinc/94/53/29/487945329.db2.gz BQZROBWQSKZCOK-SSDOTTSWSA-N 1 2 248.290 0.199 20 0 BCADLO Cc1ccnc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000669943391 487950407 /nfs/dbraw/zinc/95/04/07/487950407.db2.gz QGQVSYBMFQAXQN-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO Cc1ccnc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000669943391 487950415 /nfs/dbraw/zinc/95/04/15/487950415.db2.gz QGQVSYBMFQAXQN-BETUJISGSA-N 1 2 234.299 0.990 20 0 BCADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943666 487950914 /nfs/dbraw/zinc/95/09/14/487950914.db2.gz DRVRYDBVYOISBG-AOOOYVTPSA-N 1 2 242.319 0.001 20 0 BCADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943666 487950917 /nfs/dbraw/zinc/95/09/17/487950917.db2.gz DRVRYDBVYOISBG-AOOOYVTPSA-N 1 2 242.319 0.001 20 0 BCADLO Cc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)co1 ZINC000669945324 487953266 /nfs/dbraw/zinc/95/32/66/487953266.db2.gz DZYJFYAYTMFJOQ-QMMMGPOBSA-N 1 2 234.259 0.998 20 0 BCADLO O=C(Cc1ccncc1)N1CCn2c[nH+]cc2C1 ZINC000569401625 322965333 /nfs/dbraw/zinc/96/53/33/322965333.db2.gz XLXCKZMAYOBKQF-UHFFFAOYSA-N 1 2 242.282 0.863 20 0 BCADLO COC(=O)[C@](C)(NCc1c[nH+]cn1C)C1CC1 ZINC000560402872 322986766 /nfs/dbraw/zinc/98/67/66/322986766.db2.gz WOEUZTGMXNHMNH-GFCCVEGCSA-N 1 2 237.303 0.851 20 0 BCADLO CCCOCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145459 487957172 /nfs/dbraw/zinc/95/71/72/487957172.db2.gz INKHCGRQSOQURT-JTQLQIEISA-N 1 2 237.303 0.741 20 0 BCADLO Cc1nc(C[NH2+][C@H](C)C(=O)NCCF)[nH]c1C ZINC000566497045 323003126 /nfs/dbraw/zinc/00/31/26/323003126.db2.gz RGOHUQAVHKZZFK-SECBINFHSA-N 1 2 242.298 0.590 20 0 BCADLO Cc1[nH]c(CN[C@H](C)C(=O)NCCF)[nH+]c1C ZINC000566497045 323003127 /nfs/dbraw/zinc/00/31/27/323003127.db2.gz RGOHUQAVHKZZFK-SECBINFHSA-N 1 2 242.298 0.590 20 0 BCADLO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2nn[nH]c2c1 ZINC000128000933 323006111 /nfs/dbraw/zinc/00/61/11/323006111.db2.gz BYRVUHLSTIMERQ-MRVPVSSYSA-N 1 2 245.286 0.896 20 0 BCADLO OCc1nnn2c1C[N@H+](CC1CCC1)CC2 ZINC000565049760 323006655 /nfs/dbraw/zinc/00/66/55/323006655.db2.gz SMHVBHZWPBYHPJ-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO OCc1nnn2c1C[N@@H+](CC1CCC1)CC2 ZINC000565049760 323006656 /nfs/dbraw/zinc/00/66/56/323006656.db2.gz SMHVBHZWPBYHPJ-UHFFFAOYSA-N 1 2 222.292 0.386 20 0 BCADLO COCCN(CCOC)C(=O)Cn1cc[nH+]c1 ZINC000561813396 323007368 /nfs/dbraw/zinc/00/73/68/323007368.db2.gz URKMPBWJYLFTRH-UHFFFAOYSA-N 1 2 241.291 0.005 20 0 BCADLO Cn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000562274361 323014455 /nfs/dbraw/zinc/01/44/55/323014455.db2.gz RYAZJCQDCWUUIO-UHFFFAOYSA-N 1 2 205.221 0.255 20 0 BCADLO CCC[C@@H]1C[N@H+](CC(=O)NCC)CCO1 ZINC000132254650 323014601 /nfs/dbraw/zinc/01/46/01/323014601.db2.gz FQFIZJIKRFIGAZ-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCC[C@@H]1C[N@@H+](CC(=O)NCC)CCO1 ZINC000132254650 323014602 /nfs/dbraw/zinc/01/46/02/323014602.db2.gz FQFIZJIKRFIGAZ-SNVBAGLBSA-N 1 2 214.309 0.623 20 0 BCADLO CCS(=O)(=O)NCCC[N@H+](C)CC(F)F ZINC000132412919 323015259 /nfs/dbraw/zinc/01/52/59/323015259.db2.gz XQGKIEKOISYJNV-UHFFFAOYSA-N 1 2 244.307 0.513 20 0 BCADLO CCS(=O)(=O)NCCC[N@@H+](C)CC(F)F ZINC000132412919 323015260 /nfs/dbraw/zinc/01/52/60/323015260.db2.gz XQGKIEKOISYJNV-UHFFFAOYSA-N 1 2 244.307 0.513 20 0 BCADLO Cc1cncc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000566815339 323016776 /nfs/dbraw/zinc/01/67/76/323016776.db2.gz KDCYJPVMOMHDRM-UHFFFAOYSA-N 1 2 244.298 0.982 20 0 BCADLO CCOC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000562477347 323021390 /nfs/dbraw/zinc/02/13/90/323021390.db2.gz IWFXIEFRXXZVQH-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CCOC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000562477347 323021391 /nfs/dbraw/zinc/02/13/91/323021391.db2.gz IWFXIEFRXXZVQH-VIFPVBQESA-N 1 2 228.292 0.102 20 0 BCADLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000135684295 323030106 /nfs/dbraw/zinc/03/01/06/323030106.db2.gz UOSPRQAIHPULBW-GZMMTYOYSA-N 1 2 243.307 0.071 20 0 BCADLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000135684295 323030107 /nfs/dbraw/zinc/03/01/07/323030107.db2.gz UOSPRQAIHPULBW-GZMMTYOYSA-N 1 2 243.307 0.071 20 0 BCADLO COC[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000522024297 323032257 /nfs/dbraw/zinc/03/22/57/323032257.db2.gz ALHMJXWKHVSHHC-LLVKDONJSA-N 1 2 237.303 0.504 20 0 BCADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000572624479 323035618 /nfs/dbraw/zinc/03/56/18/323035618.db2.gz LFCPYCZHFUVGNC-GHMZBOCLSA-N 1 2 240.347 0.748 20 0 BCADLO O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000572605112 323047323 /nfs/dbraw/zinc/04/73/23/323047323.db2.gz DXIGVNYGLWQOIC-ATZCPNFKSA-N 1 2 235.287 0.085 20 0 BCADLO C[C@H](C(=O)NC[C@@H]1CCCC1=O)[NH+]1CC(C)C1 ZINC000570105071 323050076 /nfs/dbraw/zinc/05/00/76/323050076.db2.gz UORIWDZIXPEDJF-MNOVXSKESA-N 1 2 238.331 0.812 20 0 BCADLO CCS(=O)(=O)C1C[NH+](CC2(C)CC2)C1 ZINC000570147350 323051114 /nfs/dbraw/zinc/05/11/14/323051114.db2.gz VCBKHMHTJYBGCV-UHFFFAOYSA-N 1 2 217.334 0.905 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000153942613 323054273 /nfs/dbraw/zinc/05/42/73/323054273.db2.gz BINKBTAJXHUBCQ-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000153942613 323054274 /nfs/dbraw/zinc/05/42/74/323054274.db2.gz BINKBTAJXHUBCQ-SNVBAGLBSA-N 1 2 222.292 0.510 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cn(C)nn1 ZINC000570320058 323056169 /nfs/dbraw/zinc/05/61/69/323056169.db2.gz XUNYCMNBSRMLCO-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cn(C)nn1 ZINC000570320058 323056170 /nfs/dbraw/zinc/05/61/70/323056170.db2.gz XUNYCMNBSRMLCO-LLVKDONJSA-N 1 2 242.323 0.033 20 0 BCADLO C[C@H](CC(=O)NCc1cc[nH]n1)n1cc[nH+]c1 ZINC000570336865 323056743 /nfs/dbraw/zinc/05/67/43/323056743.db2.gz ZWHZVTJTOWAQIK-SECBINFHSA-N 1 2 233.275 0.874 20 0 BCADLO CSC[C@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000570711014 323068201 /nfs/dbraw/zinc/06/82/01/323068201.db2.gz PTPNQAYCMBMAFV-MRVPVSSYSA-N 1 2 243.332 0.761 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1C ZINC000572660635 323073360 /nfs/dbraw/zinc/07/33/60/323073360.db2.gz NOVWSIIIVAXOIN-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1C ZINC000572660635 323073361 /nfs/dbraw/zinc/07/33/61/323073361.db2.gz NOVWSIIIVAXOIN-QMMMGPOBSA-N 1 2 233.275 0.961 20 0 BCADLO CC(C)n1ccnc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000570925634 323074652 /nfs/dbraw/zinc/07/46/52/323074652.db2.gz FHCHNPYFDFIHKN-UHFFFAOYSA-N 1 2 236.319 0.771 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CO1 ZINC000493100671 323085397 /nfs/dbraw/zinc/08/53/97/323085397.db2.gz BFMSNXMDQILTBQ-DWNUIHGBSA-N 1 2 221.260 0.717 20 0 BCADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1csnn1 ZINC000563083293 323089420 /nfs/dbraw/zinc/08/94/20/323089420.db2.gz FVJXMWZPLUMVSV-ZXFLCMHBSA-N 1 2 229.305 0.603 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC(=O)C1 ZINC000563181383 323100555 /nfs/dbraw/zinc/10/05/55/323100555.db2.gz FYLTUEDKQFJKMP-NXEZZACHSA-N 1 2 235.287 0.757 20 0 BCADLO COC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563203547 323101779 /nfs/dbraw/zinc/10/17/79/323101779.db2.gz DTMLYLUWNJOLSI-NXEZZACHSA-N 1 2 237.303 0.597 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000571035396 323104286 /nfs/dbraw/zinc/10/42/86/323104286.db2.gz LPNAZKKIDTXXAU-NOOOWODRSA-N 1 2 238.331 0.574 20 0 BCADLO C[C@@H]1C[C@H]1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000571035396 323104287 /nfs/dbraw/zinc/10/42/87/323104287.db2.gz LPNAZKKIDTXXAU-NOOOWODRSA-N 1 2 238.331 0.574 20 0 BCADLO Cc1noc(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000563238678 323105937 /nfs/dbraw/zinc/10/59/37/323105937.db2.gz WWCPFKDVRVNYPT-ZETCQYMHSA-N 1 2 235.247 0.586 20 0 BCADLO C[C@@H](CC(=O)N1C[C@H](O)C[C@H]1C)n1cc[nH+]c1 ZINC000563255849 323106932 /nfs/dbraw/zinc/10/69/32/323106932.db2.gz NUBYJBLXBJCUIA-HBNTYKKESA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](CC(=O)N1C[C@@H](O)C[C@H]1C)n1cc[nH+]c1 ZINC000563255847 323106939 /nfs/dbraw/zinc/10/69/39/323106939.db2.gz NUBYJBLXBJCUIA-AXFHLTTASA-N 1 2 237.303 0.816 20 0 BCADLO CO[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563284566 323108336 /nfs/dbraw/zinc/10/83/36/323108336.db2.gz ICFKUYAPCVDOAN-ZETCQYMHSA-N 1 2 211.265 0.796 20 0 BCADLO C[C@H](CC(=O)NCCc1cn[nH]c1)n1cc[nH+]c1 ZINC000563332560 323119493 /nfs/dbraw/zinc/11/94/93/323119493.db2.gz BQYFFTZRQSQUQT-SNVBAGLBSA-N 1 2 247.302 0.916 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@H](O)CSC)C1CC1 ZINC000309972078 323122619 /nfs/dbraw/zinc/12/26/19/323122619.db2.gz PZRMUCGXZDBESY-GXSJLCMTSA-N 1 2 247.360 0.642 20 0 BCADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC(O)C1 ZINC000563416053 323123561 /nfs/dbraw/zinc/12/35/61/323123561.db2.gz FYEQAKSUAUPVDJ-UHFFFAOYSA-N 1 2 235.287 0.852 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@](C)(O)C1CC1 ZINC000563409631 323124431 /nfs/dbraw/zinc/12/44/31/323124431.db2.gz YZTUCGGTEGBVPD-GFCCVEGCSA-N 1 2 237.303 0.680 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@H+](C)CCNC(C)=O ZINC000308125830 323130797 /nfs/dbraw/zinc/13/07/97/323130797.db2.gz AHOROUKWGSUEIJ-NSHDSACASA-N 1 2 244.335 0.786 20 0 BCADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)CCNC(C)=O ZINC000308125830 323130798 /nfs/dbraw/zinc/13/07/98/323130798.db2.gz AHOROUKWGSUEIJ-NSHDSACASA-N 1 2 244.335 0.786 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310387419 323131169 /nfs/dbraw/zinc/13/11/69/323131169.db2.gz KJBHRVXAZBIBOG-DCAQKATOSA-N 1 2 235.287 0.112 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310387422 323131195 /nfs/dbraw/zinc/13/11/95/323131195.db2.gz KJBHRVXAZBIBOG-HBNTYKKESA-N 1 2 235.287 0.112 20 0 BCADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccn(C)n1 ZINC000571158835 323136944 /nfs/dbraw/zinc/13/69/44/323136944.db2.gz XVDZZZMJWVOWTI-HTRCEHHLSA-N 1 2 237.225 0.994 20 0 BCADLO CC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000571373261 323142870 /nfs/dbraw/zinc/14/28/70/323142870.db2.gz QKBMQMQMIZLYFN-LLVKDONJSA-N 1 2 223.276 0.257 20 0 BCADLO CC(=O)NCC[N@@H+](C)Cc1cn2ccccc2n1 ZINC000571439794 323144834 /nfs/dbraw/zinc/14/48/34/323144834.db2.gz UHBCESPLUPOHFP-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO CC(=O)NCC[N@H+](C)Cc1cn2ccccc2n1 ZINC000571439794 323144835 /nfs/dbraw/zinc/14/48/35/323144835.db2.gz UHBCESPLUPOHFP-UHFFFAOYSA-N 1 2 246.314 0.902 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1N ZINC000083885763 487957550 /nfs/dbraw/zinc/95/75/50/487957550.db2.gz KMFFLFSMZGWGGP-SNVBAGLBSA-N 1 2 249.314 0.329 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1N ZINC000083885763 487957555 /nfs/dbraw/zinc/95/75/55/487957555.db2.gz KMFFLFSMZGWGGP-SNVBAGLBSA-N 1 2 249.314 0.329 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000049237085 323159421 /nfs/dbraw/zinc/15/94/21/323159421.db2.gz MDZFCZCUUDFHDG-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000049237085 323159422 /nfs/dbraw/zinc/15/94/22/323159422.db2.gz MDZFCZCUUDFHDG-MRVPVSSYSA-N 1 2 229.324 0.097 20 0 BCADLO Cc1cc(NC(=O)NCCCO)c(C)c[nH+]1 ZINC000535060673 323164850 /nfs/dbraw/zinc/16/48/50/323164850.db2.gz CATPTGJZYRNBGP-UHFFFAOYSA-N 1 2 223.276 0.624 20 0 BCADLO COCC1(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000531996065 323166446 /nfs/dbraw/zinc/16/64/46/323166446.db2.gz FMHULTLJSGTJJA-UHFFFAOYSA-N 1 2 238.291 0.398 20 0 BCADLO Cc1[nH]c(C(=O)NC(C)(C)C(=O)N(C)C)c[nH+]1 ZINC000535119963 323166707 /nfs/dbraw/zinc/16/67/07/323166707.db2.gz HCDUEAVCFHJJDW-UHFFFAOYSA-N 1 2 238.291 0.315 20 0 BCADLO CC(C)[N@H+](CC(F)F)CC1(CO)COC1 ZINC000305157781 323167966 /nfs/dbraw/zinc/16/79/66/323167966.db2.gz QNTZOCZCGOSNGH-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO CC(C)[N@@H+](CC(F)F)CC1(CO)COC1 ZINC000305157781 323167967 /nfs/dbraw/zinc/16/79/67/323167967.db2.gz QNTZOCZCGOSNGH-UHFFFAOYSA-N 1 2 223.263 0.971 20 0 BCADLO NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535257444 323169124 /nfs/dbraw/zinc/16/91/24/323169124.db2.gz MSNLPWXIMAQNHH-UHFFFAOYSA-N 1 2 225.317 0.944 20 0 BCADLO CC[C@@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000113164415 323173374 /nfs/dbraw/zinc/17/33/74/323173374.db2.gz BSWZUDBPDDGJSY-SECBINFHSA-N 1 2 211.265 0.424 20 0 BCADLO C[C@H](C[NH2+]Cc1cscn1)S(C)(=O)=O ZINC000308652444 323176698 /nfs/dbraw/zinc/17/66/98/323176698.db2.gz LOSMFNKGLUDMJQ-SSDOTTSWSA-N 1 2 234.346 0.666 20 0 BCADLO COCCN1CC[NH+](CC2(F)CC2)CC1 ZINC000563761356 323177187 /nfs/dbraw/zinc/17/71/87/323177187.db2.gz BQSZUEGWXNQWOA-UHFFFAOYSA-N 1 2 216.300 0.753 20 0 BCADLO COC(=O)[C@@](C)([NH2+]C[C@@H](C)OC)C1CC1 ZINC000308847008 323179779 /nfs/dbraw/zinc/17/97/79/323179779.db2.gz ALDSODCHNOUQES-KCJUWKMLSA-N 1 2 215.293 0.953 20 0 BCADLO CCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC000308848623 323179786 /nfs/dbraw/zinc/17/97/86/323179786.db2.gz MCVQFLRHMWBZFT-UHFFFAOYSA-N 1 2 211.265 0.114 20 0 BCADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(C)c[nH+]1 ZINC000535749253 323190373 /nfs/dbraw/zinc/19/03/73/323190373.db2.gz YJZUYUFRZYATQI-SNVBAGLBSA-N 1 2 247.298 0.537 20 0 BCADLO Cc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)no1 ZINC000114458456 323193995 /nfs/dbraw/zinc/19/39/95/323193995.db2.gz BWQBGHYQEUEEIG-UHFFFAOYSA-N 1 2 225.292 0.939 20 0 BCADLO CCOC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398863472 323194178 /nfs/dbraw/zinc/19/41/78/323194178.db2.gz ZQXARYZVGHEFPS-ZETCQYMHSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529985290 323195081 /nfs/dbraw/zinc/19/50/81/323195081.db2.gz TVWDJRYFIRPFBU-SREGZZRCSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000070737891 323245321 /nfs/dbraw/zinc/24/53/21/323245321.db2.gz LWDIXLDURHDJCF-JTQLQIEISA-N 1 2 227.352 0.537 20 0 BCADLO CCNC(=O)C[N@H+](CC)CC1(F)CC1 ZINC000526969306 323308768 /nfs/dbraw/zinc/30/87/68/323308768.db2.gz GQQGJPOIDNJNQE-UHFFFAOYSA-N 1 2 202.273 0.947 20 0 BCADLO CCNC(=O)C[N@@H+](CC)CC1(F)CC1 ZINC000526969306 323308770 /nfs/dbraw/zinc/30/87/70/323308770.db2.gz GQQGJPOIDNJNQE-UHFFFAOYSA-N 1 2 202.273 0.947 20 0 BCADLO COCCCCNC(=O)NCCn1cc[nH+]c1 ZINC000043311552 323274827 /nfs/dbraw/zinc/27/48/27/323274827.db2.gz FYXFIGPAVGOHMB-UHFFFAOYSA-N 1 2 240.307 0.609 20 0 BCADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccco1 ZINC000532675537 323288173 /nfs/dbraw/zinc/28/81/73/323288173.db2.gz QSDIFKDCZCUTFH-SNVBAGLBSA-N 1 2 235.287 0.944 20 0 BCADLO Cc1nnccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000532799825 323296256 /nfs/dbraw/zinc/29/62/56/323296256.db2.gz RKKFAHOYZURMCB-UHFFFAOYSA-N 1 2 217.232 0.438 20 0 BCADLO O=C([C@H]1CCCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000532937629 323398132 /nfs/dbraw/zinc/39/81/32/323398132.db2.gz SJFBKAXFXUMTJT-LLVKDONJSA-N 1 2 235.287 0.836 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccon1 ZINC000309504409 323419887 /nfs/dbraw/zinc/41/98/87/323419887.db2.gz BOPREEODNBOEBQ-PSASIEDQSA-N 1 2 223.276 0.946 20 0 BCADLO c1cn(C2CN(c3cccnn3)C2)c[nH+]1 ZINC000571708545 323463929 /nfs/dbraw/zinc/46/39/29/323463929.db2.gz HVJMGSDWVGDPCB-UHFFFAOYSA-N 1 2 201.233 0.734 20 0 BCADLO Cc1c[nH+]c(C)nc1N1CC(=O)N(C2CC2)C1 ZINC000572179548 323560099 /nfs/dbraw/zinc/56/00/99/323560099.db2.gz YSKJEAYKEQXECX-UHFFFAOYSA-N 1 2 232.287 0.862 20 0 BCADLO C[C@H](O)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667246248 487961700 /nfs/dbraw/zinc/96/17/00/487961700.db2.gz CQVDAIHFYFWZAN-IUCAKERBSA-N 1 2 240.307 0.551 20 0 BCADLO CSCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000060531409 324039279 /nfs/dbraw/zinc/03/92/79/324039279.db2.gz ZYSFLUKGUPPKQH-JTQLQIEISA-N 1 2 246.376 0.576 20 0 BCADLO O=C(NCCc1[nH]cc[nH+]1)c1ccco1 ZINC000123081192 324080385 /nfs/dbraw/zinc/08/03/85/324080385.db2.gz DIRRQHAXLYWYKB-UHFFFAOYSA-N 1 2 205.217 0.975 20 0 BCADLO Cn1ccc(C[N@H+](C)CCN2CCCC2=O)n1 ZINC000537627730 324090547 /nfs/dbraw/zinc/09/05/47/324090547.db2.gz CYWYHIRUXYJEJP-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1ccc(C[N@@H+](C)CCN2CCCC2=O)n1 ZINC000537627730 324090553 /nfs/dbraw/zinc/09/05/53/324090553.db2.gz CYWYHIRUXYJEJP-UHFFFAOYSA-N 1 2 236.319 0.474 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000572479353 324121154 /nfs/dbraw/zinc/12/11/54/324121154.db2.gz UIBHIHQMQLBCDU-SNVBAGLBSA-N 1 2 248.330 0.649 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000572479353 324121159 /nfs/dbraw/zinc/12/11/59/324121159.db2.gz UIBHIHQMQLBCDU-SNVBAGLBSA-N 1 2 248.330 0.649 20 0 BCADLO O[C@@H]1COCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000529587572 324353324 /nfs/dbraw/zinc/35/33/24/324353324.db2.gz IVNBFIIADCDDQL-NSHDSACASA-N 1 2 226.251 0.414 20 0 BCADLO O[C@@H]1COCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000529587572 324353328 /nfs/dbraw/zinc/35/33/28/324353328.db2.gz IVNBFIIADCDDQL-NSHDSACASA-N 1 2 226.251 0.414 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529797904 324401621 /nfs/dbraw/zinc/40/16/21/324401621.db2.gz WZDSEPDMZHVCFL-TVQRCGJNSA-N 1 2 249.314 0.646 20 0 BCADLO O=C(NCCn1cc[nH+]c1)c1nncs1 ZINC000530183659 324514943 /nfs/dbraw/zinc/51/49/43/324514943.db2.gz SPJQRYATOGXWEM-UHFFFAOYSA-N 1 2 223.261 0.165 20 0 BCADLO Cn1cnnc1C[NH2+]Cc1cccc2c1OCO2 ZINC000037991377 324585810 /nfs/dbraw/zinc/58/58/10/324585810.db2.gz KQCICBMSJMDHGZ-UHFFFAOYSA-N 1 2 246.270 0.834 20 0 BCADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)[C@H]1CO ZINC000660377026 487964658 /nfs/dbraw/zinc/96/46/58/487964658.db2.gz AOOYRRJTMCIRNB-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H]1CO ZINC000660377026 487964663 /nfs/dbraw/zinc/96/46/63/487964663.db2.gz AOOYRRJTMCIRNB-WPRPVWTQSA-N 1 2 210.281 0.050 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cn[nH]c1 ZINC000654791191 487965334 /nfs/dbraw/zinc/96/53/34/487965334.db2.gz BZIHHELPHJTMHD-SECBINFHSA-N 1 2 247.302 0.970 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cn[nH]c1 ZINC000654791191 487965336 /nfs/dbraw/zinc/96/53/36/487965336.db2.gz BZIHHELPHJTMHD-SECBINFHSA-N 1 2 247.302 0.970 20 0 BCADLO O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000540961425 324936642 /nfs/dbraw/zinc/93/66/42/324936642.db2.gz MKCQZYXDPHIUAN-IJLUTSLNSA-N 1 2 247.298 0.691 20 0 BCADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000542611850 325037119 /nfs/dbraw/zinc/03/71/19/325037119.db2.gz LVISEZYAKNQYQS-HTQZYQBOSA-N 1 2 240.307 0.943 20 0 BCADLO COC(=O)[C@]1([NH2+]C2CCCC2)CCOC1 ZINC000070993004 325048461 /nfs/dbraw/zinc/04/84/61/325048461.db2.gz GOWNDHIDAUXNLN-NSHDSACASA-N 1 2 213.277 0.851 20 0 BCADLO CC(=O)N[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000070991443 325049061 /nfs/dbraw/zinc/04/90/61/325049061.db2.gz AKJZCWSAIZSHCA-SNVBAGLBSA-N 1 2 238.291 0.187 20 0 BCADLO O=C(CCn1cc[nH+]c1)NCC[C@@H]1CCOC1 ZINC000543346341 325084008 /nfs/dbraw/zinc/08/40/08/325084008.db2.gz VWCUPNXLIFUSLH-LLVKDONJSA-N 1 2 237.303 0.816 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)c1ccccn1 ZINC000543412259 325086488 /nfs/dbraw/zinc/08/64/88/325086488.db2.gz TWAKHVFZUDKPMV-UHFFFAOYSA-N 1 2 230.271 0.788 20 0 BCADLO CCC[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000131486521 325155960 /nfs/dbraw/zinc/15/59/60/325155960.db2.gz ANWOKRQEHKJUED-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CCC[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000131486521 325155965 /nfs/dbraw/zinc/15/59/65/325155965.db2.gz ANWOKRQEHKJUED-JTQLQIEISA-N 1 2 214.309 0.576 20 0 BCADLO CC1(C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000131576060 325165417 /nfs/dbraw/zinc/16/54/17/325165417.db2.gz QXQIPKZNGKOMGI-SNVBAGLBSA-N 1 2 226.320 0.481 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccno1 ZINC000546640098 325297208 /nfs/dbraw/zinc/29/72/08/325297208.db2.gz QUAZGLAGZLXLPK-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccno1 ZINC000546640098 325297211 /nfs/dbraw/zinc/29/72/11/325297211.db2.gz QUAZGLAGZLXLPK-RMLUDKJBSA-N 1 2 216.306 0.873 20 0 BCADLO C[C@@H](CNC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000133830940 325322482 /nfs/dbraw/zinc/32/24/82/325322482.db2.gz WLPBQZMFRHALSI-JTQLQIEISA-N 1 2 243.351 0.805 20 0 BCADLO CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133848790 325324204 /nfs/dbraw/zinc/32/42/04/325324204.db2.gz YIUFQOGAUDPEEO-JTQLQIEISA-N 1 2 245.319 0.459 20 0 BCADLO COC(=O)C1([NH2+]CCOCCO)CCCC1 ZINC000133891599 325327024 /nfs/dbraw/zinc/32/70/24/325327024.db2.gz SLZFNJNWIQWPQO-UHFFFAOYSA-N 1 2 231.292 0.071 20 0 BCADLO Cc1nc(N)nc(N2C[C@H](C)O[C@H](C)[C@H]2C)[nH+]1 ZINC000631236382 487967369 /nfs/dbraw/zinc/96/73/69/487967369.db2.gz NVMMAYSCTYACCD-XLPZGREQSA-N 1 2 237.307 0.764 20 0 BCADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000133925391 325331034 /nfs/dbraw/zinc/33/10/34/325331034.db2.gz KLWRWDFREVRGAW-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000133925391 325331036 /nfs/dbraw/zinc/33/10/36/325331036.db2.gz KLWRWDFREVRGAW-UHFFFAOYSA-N 1 2 241.335 0.098 20 0 BCADLO Cc1nc(N2C[C@@H](C)O[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631253559 487967383 /nfs/dbraw/zinc/96/73/83/487967383.db2.gz HUBZWMUJMUTNMJ-GMSGAONNSA-N 1 2 249.318 0.766 20 0 BCADLO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000134032097 325339009 /nfs/dbraw/zinc/33/90/09/325339009.db2.gz YHWDPCMHGGCFHL-AAEUAGOBSA-N 1 2 240.347 0.559 20 0 BCADLO Cc1nc(N)nc(N2C[C@@H](C)O[C@@H](C3CC3)C2)[nH+]1 ZINC000631253559 487967387 /nfs/dbraw/zinc/96/73/87/487967387.db2.gz HUBZWMUJMUTNMJ-GMSGAONNSA-N 1 2 249.318 0.766 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1ccc[nH]1 ZINC000547539844 325371442 /nfs/dbraw/zinc/37/14/42/325371442.db2.gz YKWOCHPHUUXXDP-UHFFFAOYSA-N 1 2 218.260 0.607 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NCc1cccnc1 ZINC000547540214 325371669 /nfs/dbraw/zinc/37/16/69/325371669.db2.gz KAHCQEVAJQDVBD-UHFFFAOYSA-N 1 2 230.271 0.674 20 0 BCADLO Cn1c[nH+]cc1CC(=O)Nc1ncccc1O ZINC000547539938 325371679 /nfs/dbraw/zinc/37/16/79/325371679.db2.gz SLPKTZXNTFZYBN-UHFFFAOYSA-N 1 2 232.243 0.702 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCCO1 ZINC000547603824 325373649 /nfs/dbraw/zinc/37/36/49/325373649.db2.gz CEPVNJJYFAPFQQ-LLVKDONJSA-N 1 2 237.303 0.648 20 0 BCADLO O=C(NCCCF)NCCn1cc[nH+]c1 ZINC000134737242 325374534 /nfs/dbraw/zinc/37/45/34/325374534.db2.gz KSMZPCAOMXFTOL-UHFFFAOYSA-N 1 2 214.244 0.542 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000564326698 325376906 /nfs/dbraw/zinc/37/69/06/325376906.db2.gz POJFFGTUFWNALX-GFCCVEGCSA-N 1 2 249.314 0.281 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000564326698 325376908 /nfs/dbraw/zinc/37/69/08/325376908.db2.gz POJFFGTUFWNALX-GFCCVEGCSA-N 1 2 249.314 0.281 20 0 BCADLO CC(=O)NCC[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000564326699 325377751 /nfs/dbraw/zinc/37/77/51/325377751.db2.gz POJFFGTUFWNALX-LBPRGKRZSA-N 1 2 249.314 0.281 20 0 BCADLO CC(=O)NCC[N@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000564326699 325377753 /nfs/dbraw/zinc/37/77/53/325377753.db2.gz POJFFGTUFWNALX-LBPRGKRZSA-N 1 2 249.314 0.281 20 0 BCADLO Cc1cc(C)n(CC(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000135071359 325391657 /nfs/dbraw/zinc/39/16/57/325391657.db2.gz FJFCUVNJZDLLNN-UHFFFAOYSA-N 1 2 247.302 0.582 20 0 BCADLO C[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000547863487 325409699 /nfs/dbraw/zinc/40/96/99/325409699.db2.gz GYYVKEFFAITUDG-RKDXNWHRSA-N 1 2 207.277 0.735 20 0 BCADLO Cc1nc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000631236382 487967363 /nfs/dbraw/zinc/96/73/63/487967363.db2.gz NVMMAYSCTYACCD-XLPZGREQSA-N 1 2 237.307 0.764 20 0 BCADLO CC1(O)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000682463759 487968784 /nfs/dbraw/zinc/96/87/84/487968784.db2.gz BBNDHIXIEJFEPF-UHFFFAOYSA-N 1 2 231.259 0.233 20 0 BCADLO C[C@@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000552761500 325665141 /nfs/dbraw/zinc/66/51/41/325665141.db2.gz VENZZGAHUURCKS-GHMZBOCLSA-N 1 2 237.303 0.814 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CC1CCC1 ZINC000552759731 325665212 /nfs/dbraw/zinc/66/52/12/325665212.db2.gz UEXFNUXZYVPIEZ-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO Cn1cnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000564662423 325802025 /nfs/dbraw/zinc/80/20/25/325802025.db2.gz ZARYCSMMMUFDCL-UHFFFAOYSA-N 1 2 233.275 0.808 20 0 BCADLO C[C@@H](CC(=O)NCCCC(N)=O)n1cc[nH+]c1 ZINC000565660460 325940259 /nfs/dbraw/zinc/94/02/59/325940259.db2.gz JAKCENMAFBEHAX-VIFPVBQESA-N 1 2 238.291 0.216 20 0 BCADLO CCn1ccnc1CNC(=O)Cn1cc[nH+]c1 ZINC000565721548 325948645 /nfs/dbraw/zinc/94/86/45/325948645.db2.gz QHKZWTAKNMENBU-UHFFFAOYSA-N 1 2 233.275 0.416 20 0 BCADLO CC[C@@](C)(CO)C(=O)NCCc1cn(C)c[nH+]1 ZINC000565726026 325949581 /nfs/dbraw/zinc/94/95/81/325949581.db2.gz JSYSRNNNBYGYFC-LBPRGKRZSA-N 1 2 239.319 0.487 20 0 BCADLO CC(C)NC(=O)NCC[N@H+](C)Cc1cc[nH]n1 ZINC000566155829 326004070 /nfs/dbraw/zinc/00/40/70/326004070.db2.gz KPELJOBLJQUZQN-UHFFFAOYSA-N 1 2 239.323 0.549 20 0 BCADLO CC(C)NC(=O)NCC[N@@H+](C)Cc1cc[nH]n1 ZINC000566155829 326004074 /nfs/dbraw/zinc/00/40/74/326004074.db2.gz KPELJOBLJQUZQN-UHFFFAOYSA-N 1 2 239.323 0.549 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCCO ZINC000566162748 326005035 /nfs/dbraw/zinc/00/50/35/326005035.db2.gz GDGZHHYOFIGFOS-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCCO ZINC000566162748 326005037 /nfs/dbraw/zinc/00/50/37/326005037.db2.gz GDGZHHYOFIGFOS-UHFFFAOYSA-N 1 2 224.308 0.507 20 0 BCADLO CCn1ccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000566273877 326027502 /nfs/dbraw/zinc/02/75/02/326027502.db2.gz GDGPNNOYQPZOTG-UHFFFAOYSA-N 1 2 233.275 0.567 20 0 BCADLO COC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566320966 326032865 /nfs/dbraw/zinc/03/28/65/326032865.db2.gz ZZDLYFZSNXDBCC-QMMMGPOBSA-N 1 2 225.248 0.123 20 0 BCADLO C[C@@H](C(=O)N1CC[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000566441556 326047763 /nfs/dbraw/zinc/04/77/63/326047763.db2.gz HUXTXIPYMZNUDD-SRVKXCTJSA-N 1 2 240.347 0.964 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C1CC1)C1COC1 ZINC000566455195 326050524 /nfs/dbraw/zinc/05/05/24/326050524.db2.gz GXCNYXCPIUVFNM-VIFPVBQESA-N 1 2 249.314 0.978 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C1CC1)C1COC1 ZINC000566455195 326050527 /nfs/dbraw/zinc/05/05/27/326050527.db2.gz GXCNYXCPIUVFNM-VIFPVBQESA-N 1 2 249.314 0.978 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)c1csnn1 ZINC000566468061 326051991 /nfs/dbraw/zinc/05/19/91/326051991.db2.gz BZLOXENALYSMAK-UHFFFAOYSA-N 1 2 237.288 0.685 20 0 BCADLO C[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000566471875 326053124 /nfs/dbraw/zinc/05/31/24/326053124.db2.gz UJULPWNYDOXXCK-ZETCQYMHSA-N 1 2 246.274 0.413 20 0 BCADLO COCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000566595026 326066792 /nfs/dbraw/zinc/06/67/92/326066792.db2.gz PMHSBMYIBQINSC-UHFFFAOYSA-N 1 2 237.303 0.768 20 0 BCADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCO)C1CC1 ZINC000566622128 326069050 /nfs/dbraw/zinc/06/90/50/326069050.db2.gz QKKZNQLPRMDGRL-JTQLQIEISA-N 1 2 249.314 0.429 20 0 BCADLO C[C@H](CC(=O)N(C)C1CC(O)C1)n1cc[nH+]c1 ZINC000566917596 326093880 /nfs/dbraw/zinc/09/38/80/326093880.db2.gz DVMXSIOHSWJNSR-KPPDAEKUSA-N 1 2 237.303 0.816 20 0 BCADLO C[C@@H](CC(=O)N(C)C1CC(O)C1)n1cc[nH+]c1 ZINC000566917598 326094010 /nfs/dbraw/zinc/09/40/10/326094010.db2.gz DVMXSIOHSWJNSR-WHXUTIOJSA-N 1 2 237.303 0.816 20 0 BCADLO CC(C)c1nnc(C[NH2+]C(CO)CO)s1 ZINC000567059042 326108128 /nfs/dbraw/zinc/10/81/28/326108128.db2.gz LXLXFZOEJSFMAY-UHFFFAOYSA-N 1 2 231.321 0.104 20 0 BCADLO Cc1[nH]c(CN[C@H]2CCCCNC2=O)[nH+]c1C ZINC000567063276 326109576 /nfs/dbraw/zinc/10/95/76/326109576.db2.gz UJNSGJYDFVGHGA-JTQLQIEISA-N 1 2 236.319 0.785 20 0 BCADLO Cn1c(=O)cccc1C(=O)Nc1cc[nH+]cc1O ZINC000153834893 326114980 /nfs/dbraw/zinc/11/49/80/326114980.db2.gz GINNZLPCYIOKIZ-UHFFFAOYSA-N 1 2 245.238 0.738 20 0 BCADLO CC1(C)C[NH+](CC(=O)NCCn2ccnc2)C1 ZINC000567177481 326129922 /nfs/dbraw/zinc/12/99/22/326129922.db2.gz IJKVOVFFOOUPGM-UHFFFAOYSA-N 1 2 236.319 0.341 20 0 BCADLO CC[C@@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000567315019 326159815 /nfs/dbraw/zinc/15/98/15/326159815.db2.gz VUBBAXBLYZKIFI-SECBINFHSA-N 1 2 224.308 0.632 20 0 BCADLO CC[C@@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000567315019 326159817 /nfs/dbraw/zinc/15/98/17/326159817.db2.gz VUBBAXBLYZKIFI-SECBINFHSA-N 1 2 224.308 0.632 20 0 BCADLO COC(=O)[C@](C)([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000309848006 326171525 /nfs/dbraw/zinc/17/15/25/326171525.db2.gz VPHJUWSFQUCYIM-ZYHUDNBSSA-N 1 2 229.320 0.935 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)C1CC1 ZINC000567405208 326184515 /nfs/dbraw/zinc/18/45/15/326184515.db2.gz SQQYQHQJJBEWGP-QMMMGPOBSA-N 1 2 235.287 0.684 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)C1CC1 ZINC000567405208 326184517 /nfs/dbraw/zinc/18/45/17/326184517.db2.gz SQQYQHQJJBEWGP-QMMMGPOBSA-N 1 2 235.287 0.684 20 0 BCADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCCC2)[C@H]1C ZINC000156086935 326218717 /nfs/dbraw/zinc/21/87/17/326218717.db2.gz WLMRSIVRFQLHAM-QWRGUYRKSA-N 1 2 226.320 0.718 20 0 BCADLO CC(C)OCC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000567581843 326222318 /nfs/dbraw/zinc/22/23/18/326222318.db2.gz RQVIIEHHRFPKEL-NSHDSACASA-N 1 2 227.308 0.675 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000156451959 326233523 /nfs/dbraw/zinc/23/35/23/326233523.db2.gz RHTWTIOYRURZES-SECBINFHSA-N 1 2 233.271 0.855 20 0 BCADLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)nc1 ZINC000156563116 326235832 /nfs/dbraw/zinc/23/58/32/326235832.db2.gz WELPXHXBJBIWFE-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)nc1 ZINC000156563116 326235834 /nfs/dbraw/zinc/23/58/34/326235834.db2.gz WELPXHXBJBIWFE-LBPRGKRZSA-N 1 2 246.314 0.599 20 0 BCADLO CSC[C@@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000567678197 326244099 /nfs/dbraw/zinc/24/40/99/326244099.db2.gz MXKMFPQCKOUHDN-VIFPVBQESA-N 1 2 215.322 0.532 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@H+](C)CC(C)(C)O ZINC000567761196 326255767 /nfs/dbraw/zinc/25/57/67/326255767.db2.gz ABKRYBBIPMDYNV-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CC(C)(C)O ZINC000567761196 326255769 /nfs/dbraw/zinc/25/57/69/326255769.db2.gz ABKRYBBIPMDYNV-UHFFFAOYSA-N 1 2 238.335 0.895 20 0 BCADLO CCOC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157459966 326276669 /nfs/dbraw/zinc/27/66/69/326276669.db2.gz XGAGYQUPWUHOSY-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157459966 326276671 /nfs/dbraw/zinc/27/66/71/326276671.db2.gz XGAGYQUPWUHOSY-UHFFFAOYSA-N 1 2 230.308 0.254 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000567963088 326288818 /nfs/dbraw/zinc/28/88/18/326288818.db2.gz MEDQXSXGOCOXQS-WPRPVWTQSA-N 1 2 223.276 0.636 20 0 BCADLO C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000567963088 326288820 /nfs/dbraw/zinc/28/88/20/326288820.db2.gz MEDQXSXGOCOXQS-WPRPVWTQSA-N 1 2 223.276 0.636 20 0 BCADLO CCOCCO[C@H]1CC[N@H+](CC(=O)OCC)C1 ZINC000157653208 326288844 /nfs/dbraw/zinc/28/88/44/326288844.db2.gz NRSVASUEHMOVRH-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+](CC(=O)OCC)C1 ZINC000157653208 326288845 /nfs/dbraw/zinc/28/88/45/326288845.db2.gz NRSVASUEHMOVRH-NSHDSACASA-N 1 2 245.319 0.677 20 0 BCADLO CNC(=O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568015031 326296201 /nfs/dbraw/zinc/29/62/01/326296201.db2.gz WVIAHBYWCCNBIU-SECBINFHSA-N 1 2 238.291 0.087 20 0 BCADLO CC[C@@](C)(CO)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000568104754 326308276 /nfs/dbraw/zinc/30/82/76/326308276.db2.gz DNLXUUSWGBIFKI-JQWIXIFHSA-N 1 2 239.319 0.796 20 0 BCADLO CN(Cc1[nH+]ccn1C)c1cc(=O)n(C)cn1 ZINC000568107378 326309051 /nfs/dbraw/zinc/30/90/51/326309051.db2.gz LHWKYGASLXOEKX-UHFFFAOYSA-N 1 2 233.275 0.150 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568106417 326309222 /nfs/dbraw/zinc/30/92/22/326309222.db2.gz PTEAXCDFGIZAAZ-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO COC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568106417 326309225 /nfs/dbraw/zinc/30/92/25/326309225.db2.gz PTEAXCDFGIZAAZ-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO CNC(=O)CCC[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000568181493 326321772 /nfs/dbraw/zinc/32/17/72/326321772.db2.gz USESQDJASQIQMX-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO CNC(=O)CCC[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000568181493 326321774 /nfs/dbraw/zinc/32/17/74/326321774.db2.gz USESQDJASQIQMX-UHFFFAOYSA-N 1 2 239.319 0.024 20 0 BCADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(O)C1 ZINC000568198193 326324419 /nfs/dbraw/zinc/32/44/19/326324419.db2.gz VUZJNTYQMZFCRR-CABZTGNLSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(O)C1 ZINC000568198193 326324422 /nfs/dbraw/zinc/32/44/22/326324422.db2.gz VUZJNTYQMZFCRR-CABZTGNLSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(O)C1 ZINC000568198195 326324463 /nfs/dbraw/zinc/32/44/63/326324463.db2.gz VUZJNTYQMZFCRR-SKDRFNHKSA-N 1 2 237.303 0.572 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(O)C1 ZINC000568198195 326324465 /nfs/dbraw/zinc/32/44/65/326324465.db2.gz VUZJNTYQMZFCRR-SKDRFNHKSA-N 1 2 237.303 0.572 20 0 BCADLO CC(=O)N1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC000568248528 326334235 /nfs/dbraw/zinc/33/42/35/326334235.db2.gz UBLVPYWOHUFIQV-UHFFFAOYSA-N 1 2 246.274 0.006 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)C1CCC1 ZINC000316341276 326349787 /nfs/dbraw/zinc/34/97/87/326349787.db2.gz PVQSZSKCIFMJMV-SNVBAGLBSA-N 1 2 223.276 0.160 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H](C2CC2)C1 ZINC000568378973 326350865 /nfs/dbraw/zinc/35/08/65/326350865.db2.gz DLSFVGVDBJLKBC-NSHDSACASA-N 1 2 235.287 0.521 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)C(C)(C)C ZINC000568828903 326378486 /nfs/dbraw/zinc/37/84/86/326378486.db2.gz JPGYAVWWOBMUCC-SNVBAGLBSA-N 1 2 239.319 0.486 20 0 BCADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000568881198 326381021 /nfs/dbraw/zinc/38/10/21/326381021.db2.gz PKJQXYAMIODVCD-SECBINFHSA-N 1 2 242.319 0.396 20 0 BCADLO CCN(c1cc(C)[nH+]cn1)[C@@H]1CCNC1=O ZINC000568951674 326383338 /nfs/dbraw/zinc/38/33/38/326383338.db2.gz CJNIFBOVIQKMPE-SECBINFHSA-N 1 2 220.276 0.500 20 0 BCADLO COc1ccc(N(C)C(=O)Cn2cc[nH+]c2)cn1 ZINC000569180042 326393803 /nfs/dbraw/zinc/39/38/03/326393803.db2.gz PAEZTDDOUXWXJK-UHFFFAOYSA-N 1 2 246.270 0.950 20 0 BCADLO C[C@H](CC(=O)NCC1(O)CCC1)n1cc[nH+]c1 ZINC000572771471 326410007 /nfs/dbraw/zinc/41/00/07/326410007.db2.gz IYZPODXDVXRGFE-SNVBAGLBSA-N 1 2 237.303 0.865 20 0 BCADLO COC(=O)C1(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572853493 326414940 /nfs/dbraw/zinc/41/49/40/326414940.db2.gz FBGKUWOLABWNNJ-UHFFFAOYSA-N 1 2 240.303 0.150 20 0 BCADLO CCCc1noc(C[NH2+][C@@H]2COC[C@@H]2OC)n1 ZINC000572962268 326421324 /nfs/dbraw/zinc/42/13/24/326421324.db2.gz DJAIVJXQXVCQLA-BDAKNGLRSA-N 1 2 241.291 0.526 20 0 BCADLO CC(C)(O)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000573059793 326427604 /nfs/dbraw/zinc/42/76/04/326427604.db2.gz OMHVEVJYNXRQHO-UHFFFAOYSA-N 1 2 225.292 0.620 20 0 BCADLO CN(CC[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000573297534 326440060 /nfs/dbraw/zinc/44/00/60/326440060.db2.gz QKEORCZWBPLWDG-LLVKDONJSA-N 1 2 237.303 0.911 20 0 BCADLO C[C@@H](CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682513197 487974113 /nfs/dbraw/zinc/97/41/13/487974113.db2.gz UYCSTVWOFRGRDH-VHSXEESVSA-N 1 2 237.303 0.333 20 0 BCADLO CC(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000677120959 487974000 /nfs/dbraw/zinc/97/40/00/487974000.db2.gz RODDTASYWNXUGA-UHFFFAOYSA-N 1 2 207.277 0.998 20 0 BCADLO Cc1cc(NCCCc2nncn2C)nc[nH+]1 ZINC000310398028 487977702 /nfs/dbraw/zinc/97/77/02/487977702.db2.gz KACSQGHYAQDVBX-UHFFFAOYSA-N 1 2 232.291 0.958 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677147507 487982916 /nfs/dbraw/zinc/98/29/16/487982916.db2.gz DOABDJIZUMPTJH-SNVBAGLBSA-N 1 2 249.380 0.209 20 0 BCADLO CCN(C)S(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677147507 487982922 /nfs/dbraw/zinc/98/29/22/487982922.db2.gz DOABDJIZUMPTJH-SNVBAGLBSA-N 1 2 249.380 0.209 20 0 BCADLO Cn1cnc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672158236 487985598 /nfs/dbraw/zinc/98/55/98/487985598.db2.gz UCRILSLAQKYCQM-SECBINFHSA-N 1 2 245.286 0.361 20 0 BCADLO CC[N@H+](CC(N)=O)CC(=O)N1CCCC[C@H]1C ZINC000191712739 487985807 /nfs/dbraw/zinc/98/58/07/487985807.db2.gz NDJANGPDFYIKIX-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCCC[C@H]1C ZINC000191712739 487985817 /nfs/dbraw/zinc/98/58/17/487985817.db2.gz NDJANGPDFYIKIX-SNVBAGLBSA-N 1 2 241.335 0.195 20 0 BCADLO Cn1cnc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672158237 487986012 /nfs/dbraw/zinc/98/60/12/487986012.db2.gz UCRILSLAQKYCQM-VIFPVBQESA-N 1 2 245.286 0.361 20 0 BCADLO COCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548887 487986853 /nfs/dbraw/zinc/98/68/53/487986853.db2.gz SAZSNNXEBRBKKD-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548887 487986859 /nfs/dbraw/zinc/98/68/59/487986859.db2.gz SAZSNNXEBRBKKD-QMMMGPOBSA-N 1 2 209.236 0.725 20 0 BCADLO COCn1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000666353527 487987878 /nfs/dbraw/zinc/98/78/78/487987878.db2.gz ZTCFLBIAAQHWID-UHFFFAOYSA-N 1 2 249.274 0.114 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220515490 487988204 /nfs/dbraw/zinc/98/82/04/487988204.db2.gz XGQIWACTNLSXIK-SECBINFHSA-N 1 2 237.303 0.355 20 0 BCADLO CCN(CCO)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220515490 487988208 /nfs/dbraw/zinc/98/82/08/487988208.db2.gz XGQIWACTNLSXIK-SECBINFHSA-N 1 2 237.303 0.355 20 0 BCADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000134610605 487990810 /nfs/dbraw/zinc/99/08/10/487990810.db2.gz UAKGFOCAFROGPT-DRTBCBBWSA-N 1 2 211.265 0.128 20 0 BCADLO CCn1cnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000668603134 487996189 /nfs/dbraw/zinc/99/61/89/487996189.db2.gz CILFDYRYUVTSPY-UHFFFAOYSA-N 1 2 219.248 0.556 20 0 BCADLO O=C1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)CN1 ZINC000665710530 487996932 /nfs/dbraw/zinc/99/69/32/487996932.db2.gz OYWJBMISGKTGKL-QMMMGPOBSA-N 1 2 233.275 0.351 20 0 BCADLO O=C1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)CN1 ZINC000665710530 487996937 /nfs/dbraw/zinc/99/69/37/487996937.db2.gz OYWJBMISGKTGKL-QMMMGPOBSA-N 1 2 233.275 0.351 20 0 BCADLO CCN1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000677196777 488001362 /nfs/dbraw/zinc/00/13/62/488001362.db2.gz VRACCOMRZKADPQ-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO CCN1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000677196777 488001368 /nfs/dbraw/zinc/00/13/68/488001368.db2.gz VRACCOMRZKADPQ-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc[nH]n1 ZINC000667425598 488003197 /nfs/dbraw/zinc/00/31/97/488003197.db2.gz IOPGJHZTUGEULK-HTQZYQBOSA-N 1 2 231.259 0.885 20 0 BCADLO Cc1cnn(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000667442936 488008192 /nfs/dbraw/zinc/00/81/92/488008192.db2.gz XBRLLVXNHQOOOH-UHFFFAOYSA-N 1 2 234.263 0.773 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)C[C@@H]2CCCCO2)C1=O ZINC000682677962 488012832 /nfs/dbraw/zinc/01/28/32/488012832.db2.gz YLPAJFOPZGGCMR-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)C[C@@H]2CCCCO2)C1=O ZINC000682677962 488012836 /nfs/dbraw/zinc/01/28/36/488012836.db2.gz YLPAJFOPZGGCMR-WDEREUQCSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@H]([NH+]2CCSCC2)C1=O ZINC000682677723 488013370 /nfs/dbraw/zinc/01/33/70/488013370.db2.gz VPTAJXDXIOSJIT-QMMMGPOBSA-N 1 2 216.306 0.198 20 0 BCADLO CCN1OC[C@H]([N@H+](C)C[C@@H]2CCCCO2)C1=O ZINC000682677959 488012992 /nfs/dbraw/zinc/01/29/92/488012992.db2.gz YLPAJFOPZGGCMR-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CCN1OC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)C1=O ZINC000682677959 488012996 /nfs/dbraw/zinc/01/29/96/488012996.db2.gz YLPAJFOPZGGCMR-QWRGUYRKSA-N 1 2 242.319 0.650 20 0 BCADLO CC[C@H]1C[N@@H+]([C@H]2CON(CC)C2=O)CCS1 ZINC000682678407 488013163 /nfs/dbraw/zinc/01/31/63/488013163.db2.gz SBTFGTMLFOOQHG-UWVGGRQHSA-N 1 2 244.360 0.976 20 0 BCADLO CC[C@H]1C[N@H+]([C@H]2CON(CC)C2=O)CCS1 ZINC000682678407 488013169 /nfs/dbraw/zinc/01/31/69/488013169.db2.gz SBTFGTMLFOOQHG-UWVGGRQHSA-N 1 2 244.360 0.976 20 0 BCADLO NC(=O)[C@@H]1CCCCN1Cc1c[nH+]c2n1CCC2 ZINC000667478211 488021546 /nfs/dbraw/zinc/02/15/46/488021546.db2.gz BQUFDVAKUFOOQI-NSHDSACASA-N 1 2 248.330 0.669 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000668621004 488021572 /nfs/dbraw/zinc/02/15/72/488021572.db2.gz BAQUSPHOPYJDIF-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000668621004 488021579 /nfs/dbraw/zinc/02/15/79/488021579.db2.gz BAQUSPHOPYJDIF-UHFFFAOYSA-N 1 2 222.292 0.382 20 0 BCADLO CC(=O)N1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000074842001 488023787 /nfs/dbraw/zinc/02/37/87/488023787.db2.gz GVQJYDJXLOHHDB-UHFFFAOYSA-N 1 2 235.287 0.039 20 0 BCADLO C[N@H+](CCO)Cc1nnnn1Cc1ccccc1 ZINC000050499346 488034784 /nfs/dbraw/zinc/03/47/84/488034784.db2.gz CCFXKVDSHRCWCD-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO C[N@@H+](CCO)Cc1nnnn1Cc1ccccc1 ZINC000050499346 488034792 /nfs/dbraw/zinc/03/47/92/488034792.db2.gz CCFXKVDSHRCWCD-UHFFFAOYSA-N 1 2 247.302 0.146 20 0 BCADLO C[C@H](O)CCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682776456 488037770 /nfs/dbraw/zinc/03/77/70/488037770.db2.gz NYGKHRKFNTZBCH-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO C[C@H](O)CCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682776456 488037775 /nfs/dbraw/zinc/03/77/75/488037775.db2.gz NYGKHRKFNTZBCH-IUCAKERBSA-N 1 2 223.263 0.849 20 0 BCADLO O=C(Nc1cnns1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682824970 488046853 /nfs/dbraw/zinc/04/68/53/488046853.db2.gz KJPFDFDEIWLNAC-ZETCQYMHSA-N 1 2 249.299 0.936 20 0 BCADLO CCN1OC[C@@H]([N@H+](C)CCc2ccncc2)C1=O ZINC000682842319 488052293 /nfs/dbraw/zinc/05/22/93/488052293.db2.gz HORVBOGNKRQVHO-GFCCVEGCSA-N 1 2 249.314 0.718 20 0 BCADLO CCN1OC[C@@H]([N@@H+](C)CCc2ccncc2)C1=O ZINC000682842319 488052299 /nfs/dbraw/zinc/05/22/99/488052299.db2.gz HORVBOGNKRQVHO-GFCCVEGCSA-N 1 2 249.314 0.718 20 0 BCADLO Cc1[nH+]cc(CN(C)[C@@H]2CCOC2)n1C ZINC000667597242 488055759 /nfs/dbraw/zinc/05/57/59/488055759.db2.gz HCKCGOYGFOALDF-SNVBAGLBSA-N 1 2 209.293 0.949 20 0 BCADLO Cc1cc(N2C[C@@H](O)CC(F)(F)C2)nc[nH+]1 ZINC000682475595 488065513 /nfs/dbraw/zinc/06/55/13/488065513.db2.gz BGFYMRIKUIZWDY-QMMMGPOBSA-N 1 2 229.230 0.991 20 0 BCADLO CO[C@](C)(CO)CNc1nc[nH+]c(N)c1Cl ZINC000656206287 488068550 /nfs/dbraw/zinc/06/85/50/488068550.db2.gz DMLGTNLYWBKJLD-VIFPVBQESA-N 1 2 246.698 0.522 20 0 BCADLO CO[C@](C)(CO)CNc1[nH+]cnc(N)c1Cl ZINC000656206287 488068555 /nfs/dbraw/zinc/06/85/55/488068555.db2.gz DMLGTNLYWBKJLD-VIFPVBQESA-N 1 2 246.698 0.522 20 0 BCADLO COc1ccc(C[N@@H+]2CC[C@H]2C(N)=O)cc1 ZINC000221936025 488072465 /nfs/dbraw/zinc/07/24/65/488072465.db2.gz MEDHRHHVMWBILZ-NSHDSACASA-N 1 2 220.272 0.755 20 0 BCADLO COc1ccc(C[N@H+]2CC[C@H]2C(N)=O)cc1 ZINC000221936025 488072469 /nfs/dbraw/zinc/07/24/69/488072469.db2.gz MEDHRHHVMWBILZ-NSHDSACASA-N 1 2 220.272 0.755 20 0 BCADLO CO[C@@]1(CO)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000401914344 488072538 /nfs/dbraw/zinc/07/25/38/488072538.db2.gz VLQYNRLFOXKSLT-LBPRGKRZSA-N 1 2 237.303 0.763 20 0 BCADLO O=C([C@H](O)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651814 488074413 /nfs/dbraw/zinc/07/44/13/488074413.db2.gz JRYQOOABZGWPBU-LLVKDONJSA-N 1 2 249.314 0.887 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cnn3c2CCC3)C1=O ZINC000667656514 488076732 /nfs/dbraw/zinc/07/67/32/488076732.db2.gz JEYVHGTVOWWREZ-LBPRGKRZSA-N 1 2 248.330 0.492 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cnn3c2CCC3)C1=O ZINC000667656514 488076736 /nfs/dbraw/zinc/07/67/36/488076736.db2.gz JEYVHGTVOWWREZ-LBPRGKRZSA-N 1 2 248.330 0.492 20 0 BCADLO CN(Cc1c[nH+]c2n1CCC2)[C@@H]1CCN(C)C1=O ZINC000667656896 488077793 /nfs/dbraw/zinc/07/77/93/488077793.db2.gz VPSMAMSCMOUVJX-LLVKDONJSA-N 1 2 248.330 0.492 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666717 488081093 /nfs/dbraw/zinc/08/10/93/488081093.db2.gz VZKJBWMOCBNMNL-LBPRGKRZSA-N 1 2 249.314 0.818 20 0 BCADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccn(C)n1 ZINC000020349986 488088373 /nfs/dbraw/zinc/08/83/73/488088373.db2.gz NYKHQIQZCJIRIN-QMMMGPOBSA-N 1 2 205.265 0.994 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccn(C(F)F)n1 ZINC000347681990 488088376 /nfs/dbraw/zinc/08/83/76/488088376.db2.gz MAGXNPAHINMACB-UHFFFAOYSA-N 1 2 246.261 0.974 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccn(C(F)F)n1 ZINC000347681990 488088381 /nfs/dbraw/zinc/08/83/81/488088381.db2.gz MAGXNPAHINMACB-UHFFFAOYSA-N 1 2 246.261 0.974 20 0 BCADLO c1[nH+]cn2c1CN(C[C@@H]1COCCO1)CC2 ZINC000660585304 488093900 /nfs/dbraw/zinc/09/39/00/488093900.db2.gz YJSPUQCCEVIBHP-LLVKDONJSA-N 1 2 223.276 0.114 20 0 BCADLO Cc1cnc(C[N@@H+]2CCC[C@]23CCNC3=O)o1 ZINC000516311374 488095382 /nfs/dbraw/zinc/09/53/82/488095382.db2.gz WOQIFFFPDNDHDY-GFCCVEGCSA-N 1 2 235.287 0.838 20 0 BCADLO Cc1cnc(C[N@H+]2CCC[C@]23CCNC3=O)o1 ZINC000516311374 488095384 /nfs/dbraw/zinc/09/53/84/488095384.db2.gz WOQIFFFPDNDHDY-GFCCVEGCSA-N 1 2 235.287 0.838 20 0 BCADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)on1 ZINC000677715635 488098977 /nfs/dbraw/zinc/09/89/77/488098977.db2.gz WWSWWADZWQYDKZ-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)on1 ZINC000677715635 488098982 /nfs/dbraw/zinc/09/89/82/488098982.db2.gz WWSWWADZWQYDKZ-VIFPVBQESA-N 1 2 223.276 0.693 20 0 BCADLO C[C@@H](CO)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000683038780 488102037 /nfs/dbraw/zinc/10/20/37/488102037.db2.gz UUNWEPUKIHTGMG-BDAKNGLRSA-N 1 2 210.281 0.283 20 0 BCADLO C[C@@H](CO)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000683038780 488102042 /nfs/dbraw/zinc/10/20/42/488102042.db2.gz UUNWEPUKIHTGMG-BDAKNGLRSA-N 1 2 210.281 0.283 20 0 BCADLO Cn1cnnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677735179 488113817 /nfs/dbraw/zinc/11/38/17/488113817.db2.gz PYRWOTZTARCBHV-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1cnnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677735179 488113824 /nfs/dbraw/zinc/11/38/24/488113824.db2.gz PYRWOTZTARCBHV-SSDOTTSWSA-N 1 2 216.235 0.902 20 0 BCADLO Cn1cc(CN2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000677763793 488120599 /nfs/dbraw/zinc/12/05/99/488120599.db2.gz JHPTUWPJAPHXCK-GFCCVEGCSA-N 1 2 246.318 0.849 20 0 BCADLO CC(C)(O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683179956 488123504 /nfs/dbraw/zinc/12/35/04/488123504.db2.gz QYIZNOZVSDZRRT-JTQLQIEISA-N 1 2 237.303 0.818 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cccc2c1OCO2 ZINC000668790111 487540192 /nfs/dbraw/zinc/54/01/92/487540192.db2.gz HNPNNXRPRIQMOX-UHFFFAOYSA-N 1 2 236.271 0.593 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000668790111 487540195 /nfs/dbraw/zinc/54/01/95/487540195.db2.gz HNPNNXRPRIQMOX-UHFFFAOYSA-N 1 2 236.271 0.593 20 0 BCADLO CNC(=O)CN(C)Cc1c[nH+]c2cccc(C)n12 ZINC000668790382 487541229 /nfs/dbraw/zinc/54/12/29/487541229.db2.gz NQNVDMDQMSTLMY-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1cnc2cccc(C)n12 ZINC000668790382 487541234 /nfs/dbraw/zinc/54/12/34/487541234.db2.gz NQNVDMDQMSTLMY-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000668790382 487541240 /nfs/dbraw/zinc/54/12/40/487541240.db2.gz NQNVDMDQMSTLMY-UHFFFAOYSA-N 1 2 246.314 0.821 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791450 487544716 /nfs/dbraw/zinc/54/47/16/487544716.db2.gz LYVUXPQBIZHEHC-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668791450 487544720 /nfs/dbraw/zinc/54/47/20/487544720.db2.gz LYVUXPQBIZHEHC-UHFFFAOYSA-N 1 2 232.291 0.405 20 0 BCADLO Cc1nc(C)c(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000685566758 487548593 /nfs/dbraw/zinc/54/85/93/487548593.db2.gz HKNHZKIAQWRGPS-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000685566758 487548596 /nfs/dbraw/zinc/54/85/96/487548596.db2.gz HKNHZKIAQWRGPS-KWQFWETISA-N 1 2 240.303 0.873 20 0 BCADLO COc1ncncc1C[N@H+](C)C1(CO)CC1 ZINC000668798401 487556837 /nfs/dbraw/zinc/55/68/37/487556837.db2.gz OGQWIKRNRNHMSY-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO COc1ncncc1C[N@@H+](C)C1(CO)CC1 ZINC000668798401 487556842 /nfs/dbraw/zinc/55/68/42/487556842.db2.gz OGQWIKRNRNHMSY-UHFFFAOYSA-N 1 2 223.276 0.442 20 0 BCADLO CNC(=O)C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000668787593 487532626 /nfs/dbraw/zinc/53/26/26/487532626.db2.gz DYFHNOUEOGHAAM-UHFFFAOYSA-N 1 2 248.286 0.848 20 0 BCADLO CNC(=O)C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000668787593 487532629 /nfs/dbraw/zinc/53/26/29/487532629.db2.gz DYFHNOUEOGHAAM-UHFFFAOYSA-N 1 2 248.286 0.848 20 0 BCADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927516 487481782 /nfs/dbraw/zinc/48/17/82/487481782.db2.gz JMIRWPVLNQSJRQ-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927516 487481790 /nfs/dbraw/zinc/48/17/90/487481790.db2.gz JMIRWPVLNQSJRQ-VIFPVBQESA-N 1 2 224.308 0.756 20 0 BCADLO CCCNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673927176 487481868 /nfs/dbraw/zinc/48/18/68/487481868.db2.gz PNUOGLIVWSPAFQ-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCCNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673927176 487481872 /nfs/dbraw/zinc/48/18/72/487481872.db2.gz PNUOGLIVWSPAFQ-UHFFFAOYSA-N 1 2 210.281 0.368 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncnn1CC ZINC000231849711 487482169 /nfs/dbraw/zinc/48/21/69/487482169.db2.gz GWFGLUJERHBAMS-VIFPVBQESA-N 1 2 239.323 0.254 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927515 487482161 /nfs/dbraw/zinc/48/21/61/487482161.db2.gz JMIRWPVLNQSJRQ-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927515 487482165 /nfs/dbraw/zinc/48/21/65/487482165.db2.gz JMIRWPVLNQSJRQ-SECBINFHSA-N 1 2 224.308 0.756 20 0 BCADLO CC(C)CNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673927473 487482321 /nfs/dbraw/zinc/48/23/21/487482321.db2.gz HMJQOKUVEATVGN-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CC(C)CNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673927473 487482326 /nfs/dbraw/zinc/48/23/26/487482326.db2.gz HMJQOKUVEATVGN-UHFFFAOYSA-N 1 2 224.308 0.614 20 0 BCADLO CCc1c(C(=O)NCc2c[nH+]c[nH]2)cnn1C ZINC000673934662 487484354 /nfs/dbraw/zinc/48/43/54/487484354.db2.gz GTSZWSJINMCLGV-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO CCc1c(C(=O)NCc2c[nH]c[nH+]2)cnn1C ZINC000673934662 487484359 /nfs/dbraw/zinc/48/43/59/487484359.db2.gz GTSZWSJINMCLGV-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cn1ccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000673911542 487477599 /nfs/dbraw/zinc/47/75/99/487477599.db2.gz NCQXQRIOAIMLPE-UHFFFAOYSA-N 1 2 218.260 0.538 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000673935148 487485586 /nfs/dbraw/zinc/48/55/86/487485586.db2.gz KMTOBYDWXDZRAW-QMMMGPOBSA-N 1 2 223.276 0.841 20 0 BCADLO C[C@H](OCC1CC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000673935148 487485591 /nfs/dbraw/zinc/48/55/91/487485591.db2.gz KMTOBYDWXDZRAW-QMMMGPOBSA-N 1 2 223.276 0.841 20 0 BCADLO CCC(=O)N[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000673943889 487486901 /nfs/dbraw/zinc/48/69/01/487486901.db2.gz APWIYPDDVZMZOV-MRVPVSSYSA-N 1 2 238.291 0.249 20 0 BCADLO C[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330346996 487487892 /nfs/dbraw/zinc/48/78/92/487487892.db2.gz HGKUYJUAEDGXFQ-JGVFFNPUSA-N 1 2 234.259 0.343 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000685037290 487493549 /nfs/dbraw/zinc/49/35/49/487493549.db2.gz GBJZSTFBPSLSNJ-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000685037290 487493555 /nfs/dbraw/zinc/49/35/55/487493555.db2.gz GBJZSTFBPSLSNJ-SECBINFHSA-N 1 2 225.296 0.211 20 0 BCADLO C[N@H+](Cc1ncnn1CCF)C(C)(C)CO ZINC000685036167 487493968 /nfs/dbraw/zinc/49/39/68/487493968.db2.gz AOSVQPJIOMTEKH-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO C[N@@H+](Cc1ncnn1CCF)C(C)(C)CO ZINC000685036167 487493973 /nfs/dbraw/zinc/49/39/73/487493973.db2.gz AOSVQPJIOMTEKH-UHFFFAOYSA-N 1 2 230.287 0.450 20 0 BCADLO C[C@H]1C(=O)N(Cc2ccc[nH+]c2N)C(=O)[C@@H]1C ZINC000118378189 487498787 /nfs/dbraw/zinc/49/87/87/487498787.db2.gz MLOUOJWNJLNYDB-HTQZYQBOSA-N 1 2 233.271 0.805 20 0 BCADLO Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)no1 ZINC000399868457 487495284 /nfs/dbraw/zinc/49/52/84/487495284.db2.gz SJJSFTWVVYMTJJ-JTQLQIEISA-N 1 2 212.249 0.176 20 0 BCADLO Cc1cc(C[N@H+]2CCOC[C@@H](O)C2)no1 ZINC000399868457 487495286 /nfs/dbraw/zinc/49/52/86/487495286.db2.gz SJJSFTWVVYMTJJ-JTQLQIEISA-N 1 2 212.249 0.176 20 0 BCADLO CCc1noc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)n1 ZINC000685043975 487495758 /nfs/dbraw/zinc/49/57/58/487495758.db2.gz GZWJGVQXKWZAKC-GMSGAONNSA-N 1 2 238.291 0.246 20 0 BCADLO CNC(=O)CSc1cc(-n2cc[nH+]c2)ncn1 ZINC000685040986 487495946 /nfs/dbraw/zinc/49/59/46/487495946.db2.gz YFDTWLBCUKEMDZ-UHFFFAOYSA-N 1 2 249.299 0.500 20 0 BCADLO CC[N@@H+]1CCN(C(=O)c2cncc(O)c2)C[C@H]1C ZINC000111740200 487499837 /nfs/dbraw/zinc/49/98/37/487499837.db2.gz HNXNRZJRLGJGPU-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CC[N@H+]1CCN(C(=O)c2cncc(O)c2)C[C@H]1C ZINC000111740200 487499844 /nfs/dbraw/zinc/49/98/44/487499844.db2.gz HNXNRZJRLGJGPU-SNVBAGLBSA-N 1 2 249.314 0.953 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000679952577 487502558 /nfs/dbraw/zinc/50/25/58/487502558.db2.gz AJZABCIKSLBKTJ-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000679952577 487502565 /nfs/dbraw/zinc/50/25/65/487502565.db2.gz AJZABCIKSLBKTJ-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BCADLO COc1cc(NC(=O)[C@@H]2CSC[NH2+]2)ccn1 ZINC000304528849 487510222 /nfs/dbraw/zinc/51/02/22/487510222.db2.gz GKXSPISORVZWNN-QMMMGPOBSA-N 1 2 239.300 0.691 20 0 BCADLO C[C@@H](c1nnnn1C1CC1)N(C)Cc1[nH]cc[nH+]1 ZINC000685412186 487516542 /nfs/dbraw/zinc/51/65/42/487516542.db2.gz UDZOPGFVNOZZFR-QMMMGPOBSA-N 1 2 247.306 0.924 20 0 BCADLO C[C@H](C[C@H](C)O)NC(=O)CCCn1cc[nH+]c1 ZINC000680007812 487516639 /nfs/dbraw/zinc/51/66/39/487516639.db2.gz RYCWHDSODYTTEM-MNOVXSKESA-N 1 2 239.319 0.939 20 0 BCADLO CN(CC(=O)N1CCC1)Cc1[nH]cc[nH+]1 ZINC000670983051 487534264 /nfs/dbraw/zinc/53/42/64/487534264.db2.gz ABESLTRJCDMSBT-UHFFFAOYSA-N 1 2 208.265 0.074 20 0 BCADLO CCCn1nccc1C[NH+]1CC(C(=O)NC)C1 ZINC000668232900 490042760 /nfs/dbraw/zinc/04/27/60/490042760.db2.gz ICBNWZJKNHRZCA-UHFFFAOYSA-N 1 2 236.319 0.471 20 0 BCADLO COc1cc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]n1C ZINC000527010186 487567587 /nfs/dbraw/zinc/56/75/87/487567587.db2.gz KNFSORJJLSAIKO-UHFFFAOYSA-N 1 2 249.274 0.145 20 0 BCADLO COc1cc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]n1C ZINC000527010186 487567594 /nfs/dbraw/zinc/56/75/94/487567594.db2.gz KNFSORJJLSAIKO-UHFFFAOYSA-N 1 2 249.274 0.145 20 0 BCADLO CCN1CC[N@H+](Cc2ccn(C)c(=O)c2)CC1=O ZINC000680436532 487593605 /nfs/dbraw/zinc/59/36/05/487593605.db2.gz UOXNJIVKRVCHPD-UHFFFAOYSA-N 1 2 249.314 0.049 20 0 BCADLO CCN1CC[N@@H+](Cc2ccn(C)c(=O)c2)CC1=O ZINC000680436532 487593606 /nfs/dbraw/zinc/59/36/06/487593606.db2.gz UOXNJIVKRVCHPD-UHFFFAOYSA-N 1 2 249.314 0.049 20 0 BCADLO Cc1n[nH]cc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681357909 487783653 /nfs/dbraw/zinc/78/36/53/487783653.db2.gz KMKXKYVUVZBVLD-UHFFFAOYSA-N 1 2 245.286 0.853 20 0 BCADLO Cn1ncc2c1nc(N1CCC[C@@H]3C[C@@H]31)[nH+]c2N ZINC000672322808 487892827 /nfs/dbraw/zinc/89/28/27/487892827.db2.gz NXHOVWBMKGFBDM-APPZFPTMSA-N 1 2 244.302 0.934 20 0 BCADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000682461315 487967765 /nfs/dbraw/zinc/96/77/65/487967765.db2.gz ONIUQCLCSPEZHA-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000682461315 487967768 /nfs/dbraw/zinc/96/77/68/487967768.db2.gz ONIUQCLCSPEZHA-NXEZZACHSA-N 1 2 239.323 0.772 20 0 BCADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000134925006 488006340 /nfs/dbraw/zinc/00/63/40/488006340.db2.gz NMIVMSGGLOLDHS-PRJMDXOYSA-N 1 2 236.275 0.799 20 0 BCADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000134925006 488006343 /nfs/dbraw/zinc/00/63/43/488006343.db2.gz NMIVMSGGLOLDHS-PRJMDXOYSA-N 1 2 236.275 0.799 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CCOCC12CC2 ZINC000670106125 488109848 /nfs/dbraw/zinc/10/98/48/488109848.db2.gz RQAAXVMNISVWHM-UHFFFAOYSA-N 1 2 234.299 0.713 20 0 BCADLO O=c1ccccn1CC[N@H+]1CCOCC12CC2 ZINC000670106125 488109853 /nfs/dbraw/zinc/10/98/53/488109853.db2.gz RQAAXVMNISVWHM-UHFFFAOYSA-N 1 2 234.299 0.713 20 0 BCADLO CN(CC(=O)NCC1CC1)Cc1[nH]cc[nH+]1 ZINC000677802271 488125469 /nfs/dbraw/zinc/12/54/69/488125469.db2.gz OAUYIKBSLUUNEK-UHFFFAOYSA-N 1 2 222.292 0.368 20 0 BCADLO COc1cc(C[N@H+](C)C(C)(C)C(N)=O)on1 ZINC000660646453 488141364 /nfs/dbraw/zinc/14/13/64/488141364.db2.gz BRDPCMZGFHZJPW-UHFFFAOYSA-N 1 2 227.264 0.379 20 0 BCADLO COc1cc(C[N@@H+](C)C(C)(C)C(N)=O)on1 ZINC000660646453 488141367 /nfs/dbraw/zinc/14/13/67/488141367.db2.gz BRDPCMZGFHZJPW-UHFFFAOYSA-N 1 2 227.264 0.379 20 0 BCADLO CC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000683413356 488159315 /nfs/dbraw/zinc/15/93/15/488159315.db2.gz MYWAQOIOJCYESZ-UHFFFAOYSA-N 1 2 223.276 0.257 20 0 BCADLO CCn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)nn1 ZINC000404471124 488165864 /nfs/dbraw/zinc/16/58/64/488165864.db2.gz YZAAUCJFMQIRSI-SSDOTTSWSA-N 1 2 238.213 0.311 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCCc2n[nH]cc2C1 ZINC000404587026 488170329 /nfs/dbraw/zinc/17/03/29/488170329.db2.gz FKEJOIPCAKLEOU-UHFFFAOYSA-N 1 2 245.286 0.581 20 0 BCADLO CCCn1cc(C(=O)NCc2[nH+]ccn2C)nn1 ZINC000678004577 488172387 /nfs/dbraw/zinc/17/23/87/488172387.db2.gz AHKDYIZYUHROFX-UHFFFAOYSA-N 1 2 248.290 0.352 20 0 BCADLO C[C@H](CF)NC(=O)NCCCn1cc[nH+]c1 ZINC000672663367 488179718 /nfs/dbraw/zinc/17/97/18/488179718.db2.gz OKDWDRYDCQBLPC-SECBINFHSA-N 1 2 228.271 0.930 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cnn2c1CCC2 ZINC000668011839 488183943 /nfs/dbraw/zinc/18/39/43/488183943.db2.gz LPLLMONXHWJSEF-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668011839 488183948 /nfs/dbraw/zinc/18/39/48/488183948.db2.gz LPLLMONXHWJSEF-JTQLQIEISA-N 1 2 248.330 0.492 20 0 BCADLO C(c1nnnn1C1CC1)[N@@H+]1CCC12CCOCC2 ZINC000683526760 488186637 /nfs/dbraw/zinc/18/66/37/488186637.db2.gz DQGJMFROFFAXQJ-UHFFFAOYSA-N 1 2 249.318 0.763 20 0 BCADLO C(c1nnnn1C1CC1)[N@H+]1CCC12CCOCC2 ZINC000683526760 488186639 /nfs/dbraw/zinc/18/66/39/488186639.db2.gz DQGJMFROFFAXQJ-UHFFFAOYSA-N 1 2 249.318 0.763 20 0 BCADLO CCCn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000678057554 488189063 /nfs/dbraw/zinc/18/90/63/488189063.db2.gz QDGSRJWAKZDUSF-UHFFFAOYSA-N 1 2 247.258 0.463 20 0 BCADLO CN(CC(=O)Nc1ccon1)Cc1[nH+]ccn1C ZINC000678083993 488193822 /nfs/dbraw/zinc/19/38/22/488193822.db2.gz DOMIRIANJNBATQ-UHFFFAOYSA-N 1 2 249.274 0.479 20 0 BCADLO O=C(c1ncc[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668085302 488199876 /nfs/dbraw/zinc/19/98/76/488199876.db2.gz JSXIPRXPNIGBKI-UHFFFAOYSA-N 1 2 244.254 0.708 20 0 BCADLO O=C([C@@H](O)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668089620 488201205 /nfs/dbraw/zinc/20/12/05/488201205.db2.gz YHHQPOZTVPZFPS-QWRGUYRKSA-N 1 2 249.314 0.887 20 0 BCADLO C[N@H+](CCCO)Cc1cn(C2CCC2)nn1 ZINC000668102970 488204168 /nfs/dbraw/zinc/20/41/68/488204168.db2.gz AXEBGPIBOLKFHJ-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO C[N@@H+](CCCO)Cc1cn(C2CCC2)nn1 ZINC000668102970 488204171 /nfs/dbraw/zinc/20/41/71/488204171.db2.gz AXEBGPIBOLKFHJ-UHFFFAOYSA-N 1 2 224.308 0.817 20 0 BCADLO CC[N@H+](CC(=O)N(C)C)Cc1cn(C)nc1C ZINC000678139530 488204978 /nfs/dbraw/zinc/20/49/78/488204978.db2.gz UVOKFEJFFDRXNY-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO CC[N@@H+](CC(=O)N(C)C)Cc1cn(C)nc1C ZINC000678139530 488204981 /nfs/dbraw/zinc/20/49/81/488204981.db2.gz UVOKFEJFFDRXNY-UHFFFAOYSA-N 1 2 238.335 0.639 20 0 BCADLO C=Cn1cc(C[N@@H+](C)CC(=O)NCC)cn1 ZINC000683696882 488208635 /nfs/dbraw/zinc/20/86/35/488208635.db2.gz MWLCMUIYHBWFFZ-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO C=Cn1cc(C[N@H+](C)CC(=O)NCC)cn1 ZINC000683696882 488208637 /nfs/dbraw/zinc/20/86/37/488208637.db2.gz MWLCMUIYHBWFFZ-UHFFFAOYSA-N 1 2 222.292 0.552 20 0 BCADLO Cc1ncc(C[N@H+]2CCNC(=O)C[C@H]2C)n1C ZINC000668171393 488214186 /nfs/dbraw/zinc/21/41/86/488214186.db2.gz LSTUGDPMNWABKN-SECBINFHSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1ncc(C[N@@H+]2CCNC(=O)C[C@H]2C)n1C ZINC000668171393 488214190 /nfs/dbraw/zinc/21/41/90/488214190.db2.gz LSTUGDPMNWABKN-SECBINFHSA-N 1 2 236.319 0.439 20 0 BCADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H](O)C2)c(C)c[nH+]1 ZINC000678191094 488215195 /nfs/dbraw/zinc/21/51/95/488215195.db2.gz AGOWYIGZLURKSO-BXKDBHETSA-N 1 2 249.314 0.965 20 0 BCADLO CCOC1(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000668193479 488219852 /nfs/dbraw/zinc/21/98/52/488219852.db2.gz GCVMBFZVBLJEJN-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)C[C@@H](C)O ZINC000398584823 488220187 /nfs/dbraw/zinc/22/01/87/488220187.db2.gz VOCMVUBHVKFFAU-HTQZYQBOSA-N 1 2 240.307 0.308 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)C[C@@H](C)O ZINC000398584823 488220191 /nfs/dbraw/zinc/22/01/91/488220191.db2.gz VOCMVUBHVKFFAU-HTQZYQBOSA-N 1 2 240.307 0.308 20 0 BCADLO COc1c(N)[nH+]cnc1NC[C@H](C)C[C@H](C)O ZINC000398584827 488220203 /nfs/dbraw/zinc/22/02/03/488220203.db2.gz VOCMVUBHVKFFAU-SFYZADRCSA-N 1 2 240.307 0.308 20 0 BCADLO COc1c(N)nc[nH+]c1NC[C@H](C)C[C@H](C)O ZINC000398584827 488220207 /nfs/dbraw/zinc/22/02/07/488220207.db2.gz VOCMVUBHVKFFAU-SFYZADRCSA-N 1 2 240.307 0.308 20 0 BCADLO O=C1C[N@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@@H]2N1 ZINC000678221155 488220523 /nfs/dbraw/zinc/22/05/23/488220523.db2.gz FABCYHSGDSOXAM-WDEREUQCSA-N 1 2 234.303 0.653 20 0 BCADLO O=C1C[N@@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@@H]2N1 ZINC000678221155 488220526 /nfs/dbraw/zinc/22/05/26/488220526.db2.gz FABCYHSGDSOXAM-WDEREUQCSA-N 1 2 234.303 0.653 20 0 BCADLO CC(=O)NC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000678221131 488220791 /nfs/dbraw/zinc/22/07/91/488220791.db2.gz CMZITQLBNFDXNS-UHFFFAOYSA-N 1 2 236.319 0.819 20 0 BCADLO CC(C)n1ccnc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000668207121 488225326 /nfs/dbraw/zinc/22/53/26/488225326.db2.gz CQQXUWCPEWRMKK-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1ccnc1C[N@H+]1CCOC[C@H](O)C1 ZINC000668207121 488225328 /nfs/dbraw/zinc/22/53/28/488225328.db2.gz CQQXUWCPEWRMKK-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO CC(C)n1cc[nH+]c1CN1CCOC[C@H](O)C1 ZINC000668207121 488225330 /nfs/dbraw/zinc/22/53/30/488225330.db2.gz CQQXUWCPEWRMKK-LLVKDONJSA-N 1 2 239.319 0.657 20 0 BCADLO Cc1cn(C)nc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000668211843 488227049 /nfs/dbraw/zinc/22/70/49/488227049.db2.gz PBQGDQMUIDGMBH-UHFFFAOYSA-N 1 2 234.263 0.773 20 0 BCADLO Cn1cc(N2CC[N@H+](CC3(C)CC3)CC2=O)cn1 ZINC000683829937 488228732 /nfs/dbraw/zinc/22/87/32/488228732.db2.gz FCHYYDPXSIVHGW-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO Cn1cc(N2CC[N@@H+](CC3(C)CC3)CC2=O)cn1 ZINC000683829937 488228736 /nfs/dbraw/zinc/22/87/36/488228736.db2.gz FCHYYDPXSIVHGW-UHFFFAOYSA-N 1 2 248.330 0.869 20 0 BCADLO NC(=O)[C@H]1CCCN1Cc1c[nH+]c2n1CCC2 ZINC000668220698 488229996 /nfs/dbraw/zinc/22/99/96/488229996.db2.gz ZZYUJNVEYQEMOI-SNVBAGLBSA-N 1 2 234.303 0.279 20 0 BCADLO CN(CC(=O)NC1CC1)Cc1cn(C)c[nH+]1 ZINC000683898477 488240212 /nfs/dbraw/zinc/24/02/12/488240212.db2.gz KIPLMESXKRHGAZ-UHFFFAOYSA-N 1 2 222.292 0.131 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccn[nH]1 ZINC000672145183 488240844 /nfs/dbraw/zinc/24/08/44/488240844.db2.gz YLYDIDYTFUHUKB-QMMMGPOBSA-N 1 2 231.259 0.351 20 0 BCADLO O=C(Cc1ccon1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150871 488241620 /nfs/dbraw/zinc/24/16/20/488241620.db2.gz SFEPTIVZOOAWLI-JTQLQIEISA-N 1 2 246.270 0.545 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(O)CCCC1 ZINC000672149886 488242009 /nfs/dbraw/zinc/24/20/09/488242009.db2.gz ZRWABZYIWJTVRG-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO CC(C)(O)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157803 488242368 /nfs/dbraw/zinc/24/23/68/488242368.db2.gz WLGPNAFIXSTIJM-VIFPVBQESA-N 1 2 237.303 0.475 20 0 BCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cncnc1 ZINC000672155003 488242649 /nfs/dbraw/zinc/24/26/49/488242649.db2.gz VTXDXXVPGCRGBY-JTQLQIEISA-N 1 2 243.270 0.418 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCOC1 ZINC000672154890 488242665 /nfs/dbraw/zinc/24/26/65/488242665.db2.gz PANNNZJFTZNEED-NXEZZACHSA-N 1 2 235.287 0.351 20 0 BCADLO Cc1ncc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000672156425 488242713 /nfs/dbraw/zinc/24/27/13/488242713.db2.gz LSSSZCITGBZGNN-VIFPVBQESA-N 1 2 245.286 0.659 20 0 BCADLO CC(C)(C(=O)NCCn1cccn1)c1c[nH]c[nH+]1 ZINC000683918700 488244689 /nfs/dbraw/zinc/24/46/89/488244689.db2.gz PYXRFRNPJSRFHT-UHFFFAOYSA-N 1 2 247.302 0.700 20 0 BCADLO CC1(C)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000683921676 488245355 /nfs/dbraw/zinc/24/53/55/488245355.db2.gz AKDBIVQCXIDAJK-UHFFFAOYSA-N 1 2 222.292 0.935 20 0 BCADLO C[C@H](CO)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672295972 488250342 /nfs/dbraw/zinc/25/03/42/488250342.db2.gz DZPUYFYLZNETGW-SECBINFHSA-N 1 2 233.275 0.479 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000684069108 488259783 /nfs/dbraw/zinc/25/97/83/488259783.db2.gz HMDNKKVNUQVDAD-WOPDTQHZSA-N 1 2 240.347 0.822 20 0 BCADLO Cn1nnnc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000678482992 488260596 /nfs/dbraw/zinc/26/05/96/488260596.db2.gz PHZNJHCXIRGSCQ-UHFFFAOYSA-N 1 2 245.290 0.532 20 0 BCADLO CCOCC[N@H+](C)CC(=O)Nc1ccon1 ZINC000678536722 488264873 /nfs/dbraw/zinc/26/48/73/488264873.db2.gz PYPNDTRUIGEVCP-UHFFFAOYSA-N 1 2 227.264 0.581 20 0 BCADLO CCOCC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000678536722 488264875 /nfs/dbraw/zinc/26/48/75/488264875.db2.gz PYPNDTRUIGEVCP-UHFFFAOYSA-N 1 2 227.264 0.581 20 0 BCADLO C[C@@H]1[C@H](C)OCCN1C(=O)Cc1c[nH+]cn1C ZINC000673009315 488271464 /nfs/dbraw/zinc/27/14/64/488271464.db2.gz WMZQAVOAOQUMKA-ZJUUUORDSA-N 1 2 237.303 0.598 20 0 BCADLO Cc1nnc(C[N@@H+](C)C[C@H](C)CO)s1 ZINC000678624739 488273629 /nfs/dbraw/zinc/27/36/29/488273629.db2.gz ORUGVAPQOWMTMP-ZETCQYMHSA-N 1 2 215.322 0.907 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC(OC(F)F)C1 ZINC000673135485 488277408 /nfs/dbraw/zinc/27/74/08/488277408.db2.gz BHBRRWQUZWJDOM-UHFFFAOYSA-N 1 2 245.229 0.413 20 0 BCADLO CCc1nn(C)cc1C[NH+]1CCOCC1 ZINC000678807598 488285586 /nfs/dbraw/zinc/28/55/86/488285586.db2.gz IHOVGZNOOWRKFW-UHFFFAOYSA-N 1 2 209.293 0.815 20 0 BCADLO CN(C)c1cc[nH+]cc1C(=O)N1CCCCN1 ZINC000673474711 488288131 /nfs/dbraw/zinc/28/81/31/488288131.db2.gz XZCVBOJHYANHDA-UHFFFAOYSA-N 1 2 234.303 0.888 20 0 BCADLO C[N@@H+]1CCc2ncnc(N3CC(CCO)C3)c2C1 ZINC000678827184 488288245 /nfs/dbraw/zinc/28/82/45/488288245.db2.gz MUVPLDDEHPZGLB-UHFFFAOYSA-N 1 2 248.330 0.283 20 0 BCADLO C[N@H+]1CCc2ncnc(N3CC(CCO)C3)c2C1 ZINC000678827184 488288247 /nfs/dbraw/zinc/28/82/47/488288247.db2.gz MUVPLDDEHPZGLB-UHFFFAOYSA-N 1 2 248.330 0.283 20 0 BCADLO CN(CCc1ccncc1)C(=O)Cn1cc[nH+]c1 ZINC000673651201 488300193 /nfs/dbraw/zinc/30/01/93/488300193.db2.gz MDXNGLAYEWHCLL-UHFFFAOYSA-N 1 2 244.298 0.979 20 0 BCADLO C[N@H+](CCCN1CCCC1=O)Cc1nnc[nH]1 ZINC000673714703 488305608 /nfs/dbraw/zinc/30/56/08/488305608.db2.gz HEADXGVVAJYNAW-UHFFFAOYSA-N 1 2 237.307 0.249 20 0 BCADLO C[N@@H+](CCCN1CCCC1=O)Cc1nnc[nH]1 ZINC000673714703 488305610 /nfs/dbraw/zinc/30/56/10/488305610.db2.gz HEADXGVVAJYNAW-UHFFFAOYSA-N 1 2 237.307 0.249 20 0 BCADLO COC[C@@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000684424885 488311487 /nfs/dbraw/zinc/31/14/87/488311487.db2.gz GYUXPMSLKLLVCY-SECBINFHSA-N 1 2 235.287 0.660 20 0 BCADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)O ZINC000684452667 488314835 /nfs/dbraw/zinc/31/48/35/488314835.db2.gz BCMDDWDOGZGUGF-VIFPVBQESA-N 1 2 239.319 0.628 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H]1F ZINC000679184605 488315185 /nfs/dbraw/zinc/31/51/85/488315185.db2.gz ZYNYRFCXGMRXKO-IWSPIJDZSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H]1F ZINC000679184605 488315186 /nfs/dbraw/zinc/31/51/86/488315186.db2.gz ZYNYRFCXGMRXKO-IWSPIJDZSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000679184604 488315322 /nfs/dbraw/zinc/31/53/22/488315322.db2.gz ZYNYRFCXGMRXKO-HRDYMLBCSA-N 1 2 228.267 0.424 20 0 BCADLO C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H]1F ZINC000679184604 488315323 /nfs/dbraw/zinc/31/53/23/488315323.db2.gz ZYNYRFCXGMRXKO-HRDYMLBCSA-N 1 2 228.267 0.424 20 0 BCADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679218653 488316907 /nfs/dbraw/zinc/31/69/07/488316907.db2.gz DHTVJQFLLJRGKM-WDEREUQCSA-N 1 2 246.326 0.819 20 0 BCADLO CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679218653 488316909 /nfs/dbraw/zinc/31/69/09/488316909.db2.gz DHTVJQFLLJRGKM-WDEREUQCSA-N 1 2 246.326 0.819 20 0 BCADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1F ZINC000679217386 488317528 /nfs/dbraw/zinc/31/75/28/488317528.db2.gz CBJZLUOIJIACLA-RKDXNWHRSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1F ZINC000679217386 488317530 /nfs/dbraw/zinc/31/75/30/488317530.db2.gz CBJZLUOIJIACLA-RKDXNWHRSA-N 1 2 202.273 0.755 20 0 BCADLO C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@@H]1F ZINC000679221326 488319326 /nfs/dbraw/zinc/31/93/26/488319326.db2.gz GIGUNUCAHACFQM-IUCAKERBSA-N 1 2 243.282 0.218 20 0 BCADLO C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1F ZINC000679221326 488319327 /nfs/dbraw/zinc/31/93/27/488319327.db2.gz GIGUNUCAHACFQM-IUCAKERBSA-N 1 2 243.282 0.218 20 0 BCADLO CC(C)(C)c1nc(NC[C@](C)(O)CO)cc[nH+]1 ZINC000684600883 488330929 /nfs/dbraw/zinc/33/09/29/488330929.db2.gz MEONCUQKWVKQFR-LBPRGKRZSA-N 1 2 239.319 0.929 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc2n1CCOC2 ZINC000684771221 488341077 /nfs/dbraw/zinc/34/10/77/488341077.db2.gz MACCNPSQTNLHCN-DTORHVGOSA-N 1 2 222.292 0.791 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc2n1CCOC2 ZINC000684771221 488341078 /nfs/dbraw/zinc/34/10/78/488341078.db2.gz MACCNPSQTNLHCN-DTORHVGOSA-N 1 2 222.292 0.791 20 0 BCADLO C[C@H]1CCCN1C(=O)C[NH+]1CCOCC1 ZINC000679367583 488347274 /nfs/dbraw/zinc/34/72/74/488347274.db2.gz PBEOJXHNLFBKLR-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CN(C)[C@@H](C(=O)Nc1cc[nH]n1)c1c[nH+]cn1C ZINC000684832044 488347408 /nfs/dbraw/zinc/34/74/08/488347408.db2.gz NDHOMMACZWOJTH-SNVBAGLBSA-N 1 2 248.290 0.385 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684853166 488349468 /nfs/dbraw/zinc/34/94/68/488349468.db2.gz GMOCBRXEKPTYRM-QMMMGPOBSA-N 1 2 246.270 0.797 20 0 BCADLO CC(C)N1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC000679541257 488357455 /nfs/dbraw/zinc/35/74/55/488357455.db2.gz WOTJDVDQRPLQCU-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1C(=O)N1CC=CCC1 ZINC000679644166 488362152 /nfs/dbraw/zinc/36/21/52/488362152.db2.gz NVQCPYYSEJXBOA-SNVBAGLBSA-N 1 2 210.277 0.106 20 0 BCADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000679647128 488362304 /nfs/dbraw/zinc/36/23/04/488362304.db2.gz FWAJDWQAOZVWJM-MNOVXSKESA-N 1 2 237.303 0.814 20 0 BCADLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000679834383 488367155 /nfs/dbraw/zinc/36/71/55/488367155.db2.gz BMTUNKGUEIXTJR-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000679834383 488367156 /nfs/dbraw/zinc/36/71/56/488367156.db2.gz BMTUNKGUEIXTJR-CMPLNLGQSA-N 1 2 249.314 0.589 20 0 BCADLO C[C@@H]1COCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000077488218 490057752 /nfs/dbraw/zinc/05/77/52/490057752.db2.gz HFPUBQSPLFUNNH-SNVBAGLBSA-N 1 2 245.286 0.887 20 0 BCADLO CC(C)N1CCN(Cc2[nH+]ccn2C)CC1=O ZINC000336498970 490092880 /nfs/dbraw/zinc/09/28/80/490092880.db2.gz TYBIBAUXZZYPAU-UHFFFAOYSA-N 1 2 236.319 0.473 20 0 BCADLO C[C@@H]1C[NH+](CCc2cnn[nH]2)C[C@@H](C)C1O ZINC000661621791 490100515 /nfs/dbraw/zinc/10/05/15/490100515.db2.gz PGMQIXNLFPPUON-RKDXNWHRSA-N 1 2 224.308 0.296 20 0 BCADLO O=c1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH][nH]1 ZINC000121918582 490113205 /nfs/dbraw/zinc/11/32/05/490113205.db2.gz UUGVQKBRXYFOGQ-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO O=c1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH][nH]1 ZINC000121918582 490113210 /nfs/dbraw/zinc/11/32/10/490113210.db2.gz UUGVQKBRXYFOGQ-MRVPVSSYSA-N 1 2 248.290 0.201 20 0 BCADLO CO[C@H](C[NH+]1CCS(=O)CC1)C1CCC1 ZINC000595315543 490159389 /nfs/dbraw/zinc/15/93/89/490159389.db2.gz ROKRGUVRAXEGNU-LLVKDONJSA-N 1 2 231.361 0.866 20 0 BCADLO COC[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000672965778 490164213 /nfs/dbraw/zinc/16/42/13/490164213.db2.gz MCRQKQOLKWVAAI-SNVBAGLBSA-N 1 2 237.303 0.600 20 0 BCADLO Cn1cc(-c2noc(CCc3c[nH]c[nH+]3)n2)nn1 ZINC000515650385 490183208 /nfs/dbraw/zinc/18/32/08/490183208.db2.gz UYYMGKDTLZXYAZ-UHFFFAOYSA-N 1 2 245.246 0.373 20 0 BCADLO Cn1cc(-c2noc(CCc3c[nH+]c[nH]3)n2)nn1 ZINC000515650385 490183218 /nfs/dbraw/zinc/18/32/18/490183218.db2.gz UYYMGKDTLZXYAZ-UHFFFAOYSA-N 1 2 245.246 0.373 20 0 BCADLO Cn1nncc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000130075469 490218175 /nfs/dbraw/zinc/21/81/75/490218175.db2.gz CVQRSKXCMIRRNU-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO Cn1nncc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000130075469 490218184 /nfs/dbraw/zinc/21/81/84/490218184.db2.gz CVQRSKXCMIRRNU-UHFFFAOYSA-N 1 2 237.307 0.045 20 0 BCADLO CCCCN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820067 490238920 /nfs/dbraw/zinc/23/89/20/490238920.db2.gz UHIFTQVQWLUKKY-UHFFFAOYSA-N 1 2 246.336 0.476 20 0 BCADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(N)=O)s1 ZINC000047259438 490249358 /nfs/dbraw/zinc/24/93/58/490249358.db2.gz MGIVMAYRBKTFGP-LURJTMIESA-N 1 2 213.306 0.757 20 0 BCADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(N)=O)s1 ZINC000047259438 490249364 /nfs/dbraw/zinc/24/93/64/490249364.db2.gz MGIVMAYRBKTFGP-LURJTMIESA-N 1 2 213.306 0.757 20 0 BCADLO O=C1C[N@H+](Cc2cncnc2)[C@H]2CCCC[C@@H]2N1 ZINC000123576513 490251013 /nfs/dbraw/zinc/25/10/13/490251013.db2.gz CAWWRXYDXOEHOL-RYUDHWBXSA-N 1 2 246.314 0.720 20 0 BCADLO O=C1C[N@@H+](Cc2cncnc2)[C@H]2CCCC[C@@H]2N1 ZINC000123576513 490251019 /nfs/dbraw/zinc/25/10/19/490251019.db2.gz CAWWRXYDXOEHOL-RYUDHWBXSA-N 1 2 246.314 0.720 20 0 BCADLO CCc1cc(NC(=O)Cc2c[nH+]cn2C)n[nH]1 ZINC000672780152 490258389 /nfs/dbraw/zinc/25/83/89/490258389.db2.gz WVKHVBWBQOHSAJ-UHFFFAOYSA-N 1 2 233.275 0.887 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CO1 ZINC000655812490 490259522 /nfs/dbraw/zinc/25/95/22/490259522.db2.gz PVPACFWONGKABV-DTWKUNHWSA-N 1 2 239.323 0.695 20 0 BCADLO Cc1cc(C)nc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000068806386 490262930 /nfs/dbraw/zinc/26/29/30/490262930.db2.gz RJBYEZZLMZMQPX-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO Cc1cc(C)nc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000068806386 490262933 /nfs/dbraw/zinc/26/29/33/490262933.db2.gz RJBYEZZLMZMQPX-GFCCVEGCSA-N 1 2 249.362 0.751 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000336264325 490415751 /nfs/dbraw/zinc/41/57/51/490415751.db2.gz GQXGJUCDOKGLIZ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000336264325 490415760 /nfs/dbraw/zinc/41/57/60/490415760.db2.gz GQXGJUCDOKGLIZ-VIFPVBQESA-N 1 2 200.282 0.185 20 0 BCADLO C[N@@H+](Cc1nnnn1C1CC1)C[C@@H](O)C1CC1 ZINC000079771034 490460953 /nfs/dbraw/zinc/46/09/53/490460953.db2.gz HLSDEPGOTHFFDG-SNVBAGLBSA-N 1 2 237.307 0.211 20 0 BCADLO C[N@H+](Cc1nnnn1C1CC1)C[C@@H](O)C1CC1 ZINC000079771034 490460956 /nfs/dbraw/zinc/46/09/56/490460956.db2.gz HLSDEPGOTHFFDG-SNVBAGLBSA-N 1 2 237.307 0.211 20 0 BCADLO Cn1ncnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079771195 490461735 /nfs/dbraw/zinc/46/17/35/490461735.db2.gz FTHSOWGTJMWYHX-SECBINFHSA-N 1 2 210.281 0.018 20 0 BCADLO Cn1ncnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000079771195 490461740 /nfs/dbraw/zinc/46/17/40/490461740.db2.gz FTHSOWGTJMWYHX-SECBINFHSA-N 1 2 210.281 0.018 20 0 BCADLO COCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000074726792 490501030 /nfs/dbraw/zinc/50/10/30/490501030.db2.gz CMNMGUQFZHIODG-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO COCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000074726792 490501033 /nfs/dbraw/zinc/50/10/33/490501033.db2.gz CMNMGUQFZHIODG-UHFFFAOYSA-N 1 2 211.265 0.495 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)[C@@H]1C[N@H+](C)CCO1 ZINC000127039872 490512418 /nfs/dbraw/zinc/51/24/18/490512418.db2.gz ZDCYQURSSUUING-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO C[C@@H](NC(=O)c1ccon1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127039872 490512424 /nfs/dbraw/zinc/51/24/24/490512424.db2.gz ZDCYQURSSUUING-SCZZXKLOSA-N 1 2 239.275 0.124 20 0 BCADLO CCc1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000218896456 490548099 /nfs/dbraw/zinc/54/80/99/490548099.db2.gz KIVHJGJNMUVXSA-UHFFFAOYSA-N 1 2 218.264 0.780 20 0 BCADLO COCc1nc(C[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000305857379 490622752 /nfs/dbraw/zinc/62/27/52/490622752.db2.gz LAEIPVRBOFVCFR-SECBINFHSA-N 1 2 241.291 0.419 20 0 BCADLO COCc1nc(C[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000305857379 490622756 /nfs/dbraw/zinc/62/27/56/490622756.db2.gz LAEIPVRBOFVCFR-SECBINFHSA-N 1 2 241.291 0.419 20 0 BCADLO CCn1ccnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927957 491069041 /nfs/dbraw/zinc/06/90/41/491069041.db2.gz UXFKXLMWXPMCMW-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO CCn1ccnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927957 491069042 /nfs/dbraw/zinc/06/90/42/491069042.db2.gz UXFKXLMWXPMCMW-UHFFFAOYSA-N 1 2 233.275 0.898 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N1CC(C)(F)C1 ZINC000684497588 491094046 /nfs/dbraw/zinc/09/40/46/491094046.db2.gz XHFRDPDKRBUVAY-UHFFFAOYSA-N 1 2 225.267 0.923 20 0 BCADLO CCOc1ccc(C[N@H+](C)CC(N)=O)nc1 ZINC000088496870 491103545 /nfs/dbraw/zinc/10/35/45/491103545.db2.gz NWPNEZJIXJAYRR-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CCOc1ccc(C[N@@H+](C)CC(N)=O)nc1 ZINC000088496870 491103546 /nfs/dbraw/zinc/10/35/46/491103546.db2.gz NWPNEZJIXJAYRR-UHFFFAOYSA-N 1 2 223.276 0.397 20 0 BCADLO CCn1cc(CNc2nc[nH+]c(N)c2OC)cn1 ZINC000390442271 491103653 /nfs/dbraw/zinc/10/36/53/491103653.db2.gz XFKONOURSUWXIW-UHFFFAOYSA-N 1 2 248.290 0.318 20 0 BCADLO CCn1cc(CNc2[nH+]cnc(N)c2OC)cn1 ZINC000390442271 491103654 /nfs/dbraw/zinc/10/36/54/491103654.db2.gz XFKONOURSUWXIW-UHFFFAOYSA-N 1 2 248.290 0.318 20 0 BCADLO O=C(CCn1ccccc1=O)NCc1c[nH+]c[nH]1 ZINC000088753275 491108255 /nfs/dbraw/zinc/10/82/55/491108255.db2.gz KCMLCIFLQSUTRM-UHFFFAOYSA-N 1 2 246.270 0.278 20 0 BCADLO O=C(CCn1ccccc1=O)NCc1c[nH]c[nH+]1 ZINC000088753275 491108256 /nfs/dbraw/zinc/10/82/56/491108256.db2.gz KCMLCIFLQSUTRM-UHFFFAOYSA-N 1 2 246.270 0.278 20 0 BCADLO CC(=O)N[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000088759419 491108436 /nfs/dbraw/zinc/10/84/36/491108436.db2.gz XQZQGHITWPQHFY-JTQLQIEISA-N 1 2 238.291 0.187 20 0 BCADLO CC(=O)N[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000088759419 491108437 /nfs/dbraw/zinc/10/84/37/491108437.db2.gz XQZQGHITWPQHFY-JTQLQIEISA-N 1 2 238.291 0.187 20 0 BCADLO CCn1cnnc1CC[NH2+]Cc1cn[nH]c1C ZINC000605440171 491124563 /nfs/dbraw/zinc/12/45/63/491124563.db2.gz WSVCEUQTRIYVJJ-UHFFFAOYSA-N 1 2 234.307 0.662 20 0 BCADLO CC(C)c1nc(NC(C)(CO)CO)cc[nH+]1 ZINC000127824484 491126787 /nfs/dbraw/zinc/12/67/87/491126787.db2.gz UXZIWTDKJYERTE-UHFFFAOYSA-N 1 2 225.292 0.755 20 0 BCADLO C[C@H](C1CC1)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091539101 491130988 /nfs/dbraw/zinc/13/09/88/491130988.db2.gz HLLJYEUCKBWZQK-SSDOTTSWSA-N 1 2 222.292 0.861 20 0 BCADLO OC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000127945516 491133001 /nfs/dbraw/zinc/13/30/01/491133001.db2.gz KJJHLFVYCZECLL-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO OC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000127945516 491133002 /nfs/dbraw/zinc/13/30/02/491133002.db2.gz KJJHLFVYCZECLL-SECBINFHSA-N 1 2 213.306 0.885 20 0 BCADLO Cc1nnc(COC2C[NH+](C(C)C)C2)o1 ZINC000643832909 491133068 /nfs/dbraw/zinc/13/30/68/491133068.db2.gz UTPIGFXPGHQMEU-UHFFFAOYSA-N 1 2 211.265 0.987 20 0 BCADLO Cc1cc(NC(=O)c2cnn(C)c2N)cc[nH+]1 ZINC000082698008 491152658 /nfs/dbraw/zinc/15/26/58/491152658.db2.gz QNKHQFOQLLRTSD-UHFFFAOYSA-N 1 2 231.259 0.958 20 0 BCADLO CCCOC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000859134630 582484474 /nfs/dbraw/zinc/48/44/74/582484474.db2.gz TXPGMSOJCCHNGI-UHFFFAOYSA-N 1 2 242.319 0.987 20 0 BCADLO CSCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000890874441 582584796 /nfs/dbraw/zinc/58/47/96/582584796.db2.gz DOEHORVABKHLKZ-SECBINFHSA-N 1 2 246.376 0.575 20 0 BCADLO CSCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000890874441 582584797 /nfs/dbraw/zinc/58/47/97/582584797.db2.gz DOEHORVABKHLKZ-SECBINFHSA-N 1 2 246.376 0.575 20 0 BCADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H]1CO ZINC000493293012 533912076 /nfs/dbraw/zinc/91/20/76/533912076.db2.gz TUCJOVHPQJFMOW-HLKOZVMDSA-N 1 2 235.287 0.652 20 0 BCADLO C[C@@H]1CC[N@H+](CCOCCO)CC1(F)F ZINC000494209957 534035766 /nfs/dbraw/zinc/03/57/66/534035766.db2.gz VYTVGCHUWYKIBH-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO C[C@@H]1CC[N@@H+](CCOCCO)CC1(F)F ZINC000494209957 534035775 /nfs/dbraw/zinc/03/57/75/534035775.db2.gz VYTVGCHUWYKIBH-SECBINFHSA-N 1 2 223.263 0.972 20 0 BCADLO COC(=O)NCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000495756557 534075701 /nfs/dbraw/zinc/07/57/01/534075701.db2.gz VEEHIUIABSHOGS-SSDOTTSWSA-N 1 2 240.263 0.333 20 0 BCADLO C[N@H+](CC(N)=O)Cc1cn2ccnc2s1 ZINC000891580909 582699943 /nfs/dbraw/zinc/69/99/43/582699943.db2.gz CSXKHOJKHMWFQH-UHFFFAOYSA-N 1 2 224.289 0.313 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1cn2ccnc2s1 ZINC000891580909 582699946 /nfs/dbraw/zinc/69/99/46/582699946.db2.gz CSXKHOJKHMWFQH-UHFFFAOYSA-N 1 2 224.289 0.313 20 0 BCADLO COC(=O)[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492899361 534213932 /nfs/dbraw/zinc/21/39/32/534213932.db2.gz MAIFOCKGELIEAE-VEMNSZJBSA-N 1 2 237.259 0.348 20 0 BCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C=Cc1c[nH]cn1 ZINC000492902300 534272114 /nfs/dbraw/zinc/27/21/14/534272114.db2.gz QQSUUOCGSQXYGN-ZMWSMAPVSA-N 1 2 245.286 0.824 20 0 BCADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nccn1CC ZINC000231843166 517629774 /nfs/dbraw/zinc/62/97/74/517629774.db2.gz BJIUTPJPZMDNPI-SNVBAGLBSA-N 1 2 238.335 0.859 20 0 BCADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1nc(C)no1 ZINC000351583672 517719240 /nfs/dbraw/zinc/71/92/40/517719240.db2.gz VCOUWDFMAMXWFP-UWVGGRQHSA-N 1 2 241.291 0.662 20 0 BCADLO NC(=O)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493258875 534448224 /nfs/dbraw/zinc/44/82/24/534448224.db2.gz PWPIANQOOKBFLW-TYRPZCRBSA-N 1 2 248.286 0.147 20 0 BCADLO CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081561643 534455491 /nfs/dbraw/zinc/45/54/91/534455491.db2.gz RUPNXOUNRGSUIT-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO Cc1cnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)nc1 ZINC000494679726 534552226 /nfs/dbraw/zinc/55/22/26/534552226.db2.gz FWTOTVTZMVUZRF-SNVBAGLBSA-N 1 2 219.288 0.742 20 0 BCADLO Cc1cnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)nc1 ZINC000494679726 534552229 /nfs/dbraw/zinc/55/22/29/534552229.db2.gz FWTOTVTZMVUZRF-SNVBAGLBSA-N 1 2 219.288 0.742 20 0 BCADLO O=C(COC(F)F)NCCn1cc[nH+]c1 ZINC000505564905 534605152 /nfs/dbraw/zinc/60/51/52/534605152.db2.gz QRENPNXXEULUEC-UHFFFAOYSA-N 1 2 219.191 0.239 20 0 BCADLO Cc1cnn(CCNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493807996 534742314 /nfs/dbraw/zinc/74/23/14/534742314.db2.gz DWNZBUFJMLYCKP-IHWYPQMZSA-N 1 2 245.286 0.744 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccnn1C ZINC000493143835 534788505 /nfs/dbraw/zinc/78/85/05/534788505.db2.gz ACPLLVNYESLWIF-ARJAWSKDSA-N 1 2 245.286 0.483 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2CCOC2)nc[nH+]1 ZINC000892404538 582877309 /nfs/dbraw/zinc/87/73/09/582877309.db2.gz HXSAIPWHAOJLFA-VIFPVBQESA-N 1 2 222.292 0.768 20 0 BCADLO CN(C)c1cc(N(C)[C@H]2CCOC2)[nH+]cn1 ZINC000892404538 582877312 /nfs/dbraw/zinc/87/73/12/582877312.db2.gz HXSAIPWHAOJLFA-VIFPVBQESA-N 1 2 222.292 0.768 20 0 BCADLO O=C(C=Cc1c[nH]c[nH+]1)NO[C@@H]1CCOC1 ZINC000492869675 534802377 /nfs/dbraw/zinc/80/23/77/534802377.db2.gz VBVOKKGKRYUXIW-JKERVTFKSA-N 1 2 223.232 0.260 20 0 BCADLO COC[C@@](C)(O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892488129 582897453 /nfs/dbraw/zinc/89/74/53/582897453.db2.gz DVWITQOXDSBMTN-SKDRFNHKSA-N 1 2 240.303 0.944 20 0 BCADLO CNc1cc(N(C)Cc2cc[nH]n2)[nH+]cn1 ZINC000892481569 582896350 /nfs/dbraw/zinc/89/63/50/582896350.db2.gz NWTNSWVIFBXHDM-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263012130 536436577 /nfs/dbraw/zinc/43/65/77/536436577.db2.gz PUUDPBGIRPUJMQ-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CF)C1 ZINC000334277451 536439355 /nfs/dbraw/zinc/43/93/55/536439355.db2.gz DLEVFZABFSRAJX-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CF)C1 ZINC000334277451 536439356 /nfs/dbraw/zinc/43/93/56/536439356.db2.gz DLEVFZABFSRAJX-ZJUUUORDSA-N 1 2 230.283 0.278 20 0 BCADLO CC(=O)NCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493333547 526749892 /nfs/dbraw/zinc/74/98/92/526749892.db2.gz KIYKSSWKOQHDCU-ONEGZZNKSA-N 1 2 236.275 0.017 20 0 BCADLO COC(=O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000069908713 536473067 /nfs/dbraw/zinc/47/30/67/536473067.db2.gz IABMBMPDDZEVIA-YUMQZZPRSA-N 1 2 203.307 0.985 20 0 BCADLO CC(C)(CC(N)=O)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492955219 526980075 /nfs/dbraw/zinc/98/00/75/526980075.db2.gz PMOWXAXVDHIASP-ONEGZZNKSA-N 1 2 236.275 0.193 20 0 BCADLO CC(C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492915124 527346914 /nfs/dbraw/zinc/34/69/14/527346914.db2.gz VADJEBXPSSKRTK-ARJAWSKDSA-N 1 2 209.249 0.310 20 0 BCADLO CC(C)[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858210 527733247 /nfs/dbraw/zinc/73/32/47/527733247.db2.gz FKRSLLGTXOYXSP-UMBAGQNISA-N 1 2 223.276 0.556 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)CSC ZINC000493575274 527938679 /nfs/dbraw/zinc/93/86/79/527938679.db2.gz UULSQNYRTOOBGC-MRVPVSSYSA-N 1 2 221.322 0.205 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@@H](O)CSC ZINC000493575274 527938682 /nfs/dbraw/zinc/93/86/82/527938682.db2.gz UULSQNYRTOOBGC-MRVPVSSYSA-N 1 2 221.322 0.205 20 0 BCADLO CCO[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493221159 527967846 /nfs/dbraw/zinc/96/78/46/527967846.db2.gz INYRJJRPGDAROT-HWKXXFMVSA-N 1 2 221.260 0.717 20 0 BCADLO CC(C)OCCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493323983 527983738 /nfs/dbraw/zinc/98/37/38/527983738.db2.gz PQWOZPJZGYIGBT-ARJAWSKDSA-N 1 2 239.275 0.896 20 0 BCADLO CCC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(N)=O ZINC000493166428 528167609 /nfs/dbraw/zinc/16/76/09/528167609.db2.gz YQVVVOIPHJRREB-ZJELKQJVSA-N 1 2 236.275 0.193 20 0 BCADLO CCC[C@H](O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492774511 528249037 /nfs/dbraw/zinc/24/90/37/528249037.db2.gz WTQDZZKLJCSGAZ-LWTINBJPSA-N 1 2 223.276 0.700 20 0 BCADLO CCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000487528366 528416867 /nfs/dbraw/zinc/41/68/67/528416867.db2.gz SWTHONNIRKTKNK-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO CCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000487528366 528416869 /nfs/dbraw/zinc/41/68/69/528416869.db2.gz SWTHONNIRKTKNK-LLVKDONJSA-N 1 2 241.335 0.559 20 0 BCADLO CCO/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000493425447 528489040 /nfs/dbraw/zinc/48/90/40/528489040.db2.gz TWJMOFDWGOXTCC-QBBOHKLWSA-N 1 2 223.276 0.938 20 0 BCADLO CCOC1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493657522 528533957 /nfs/dbraw/zinc/53/39/57/528533957.db2.gz SVJHNUKYUGEQIA-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO CCO/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000493152420 528534445 /nfs/dbraw/zinc/53/44/45/528534445.db2.gz ATOYEWZBCIIOLD-NAXAJZLFSA-N 1 2 235.287 0.864 20 0 BCADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H](O)CSC ZINC000494805931 528866646 /nfs/dbraw/zinc/86/66/46/528866646.db2.gz XHNMIYQAMRCQPI-JTQLQIEISA-N 1 2 244.364 0.361 20 0 BCADLO CC[N@H+](Cc1cn(C)nn1)C[C@H](O)CSC ZINC000494805931 528866651 /nfs/dbraw/zinc/86/66/51/528866651.db2.gz XHNMIYQAMRCQPI-JTQLQIEISA-N 1 2 244.364 0.361 20 0 BCADLO CCN(Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000505611238 528870833 /nfs/dbraw/zinc/87/08/33/528870833.db2.gz QUIGESOFVWFJEK-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CCN(Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000505611238 528870834 /nfs/dbraw/zinc/87/08/34/528870834.db2.gz QUIGESOFVWFJEK-SNVBAGLBSA-N 1 2 243.332 0.419 20 0 BCADLO CCN(Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000505611237 528871114 /nfs/dbraw/zinc/87/11/14/528871114.db2.gz QUIGESOFVWFJEK-JTQLQIEISA-N 1 2 243.332 0.419 20 0 BCADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1COC1 ZINC000493720683 528908442 /nfs/dbraw/zinc/90/84/42/528908442.db2.gz JZMKDAUZEXTDRF-ONEGZZNKSA-N 1 2 221.260 0.670 20 0 BCADLO CC1(C)COC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493609712 529134044 /nfs/dbraw/zinc/13/40/44/529134044.db2.gz IJAXHFCIHWIRFX-HMDXOVGESA-N 1 2 235.287 0.964 20 0 BCADLO CCN1CCN(CCn2cc[nH+]c2)[C@H](C)C1=O ZINC000495216075 529146449 /nfs/dbraw/zinc/14/64/49/529146449.db2.gz VLORGADQNPDPFG-LLVKDONJSA-N 1 2 236.319 0.436 20 0 BCADLO CCN1CCN(CCn2cc[nH+]c2)[C@@H](C)C1=O ZINC000495216076 529146602 /nfs/dbraw/zinc/14/66/02/529146602.db2.gz VLORGADQNPDPFG-NSHDSACASA-N 1 2 236.319 0.436 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CCCF)CC1 ZINC000173984168 529150237 /nfs/dbraw/zinc/15/02/37/529150237.db2.gz UACWNRTWZOUBTO-UHFFFAOYSA-N 1 2 238.328 0.313 20 0 BCADLO CC[C@H]1C(=O)NCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493195960 529193446 /nfs/dbraw/zinc/19/34/46/529193446.db2.gz WMFDKSXFRPKKHQ-NWALNABHSA-N 1 2 248.286 0.160 20 0 BCADLO CC[C@H]1CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000487529643 529241168 /nfs/dbraw/zinc/24/11/68/529241168.db2.gz AJBLKTXSULWWBL-NSHDSACASA-N 1 2 241.335 0.513 20 0 BCADLO CC[C@H](CCO)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493404613 529323058 /nfs/dbraw/zinc/32/30/58/529323058.db2.gz WMJJYDACZJAUOK-UMBAGQNISA-N 1 2 237.303 0.948 20 0 BCADLO CC(C)N(C)C(=O)C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000336028655 534966981 /nfs/dbraw/zinc/96/69/81/534966981.db2.gz XXLAQOMQKAVFEO-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)N(C)C(=O)C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000336028655 534966983 /nfs/dbraw/zinc/96/69/83/534966983.db2.gz XXLAQOMQKAVFEO-NEPJUHHUSA-N 1 2 241.379 0.878 20 0 BCADLO CC(C)(CCO)CNC(=O)CCn1cc[nH+]c1 ZINC000227610556 535042119 /nfs/dbraw/zinc/04/21/19/535042119.db2.gz JZMKMNUBTUGHKK-UHFFFAOYSA-N 1 2 239.319 0.798 20 0 BCADLO CCCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000171401878 535069943 /nfs/dbraw/zinc/06/99/43/535069943.db2.gz JTMLZPRUZAZBCL-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000171401878 535069948 /nfs/dbraw/zinc/06/99/48/535069948.db2.gz JTMLZPRUZAZBCL-JTQLQIEISA-N 1 2 241.335 0.113 20 0 BCADLO CCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000070657027 535193775 /nfs/dbraw/zinc/19/37/75/535193775.db2.gz OIXZCJGIKSSDGB-SNVBAGLBSA-N 1 2 203.282 0.954 20 0 BCADLO CC(C)[C@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000184838145 535270638 /nfs/dbraw/zinc/27/06/38/535270638.db2.gz VBQULZUQBBTNBV-VXGBXAGGSA-N 1 2 240.347 0.727 20 0 BCADLO CC[N@H+](Cc1nnnn1C1CC1)C[C@@H](C)O ZINC000352194517 535397014 /nfs/dbraw/zinc/39/70/14/535397014.db2.gz KIXPXRFJGZAFSE-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CC[N@@H+](Cc1nnnn1C1CC1)C[C@@H](C)O ZINC000352194517 535397012 /nfs/dbraw/zinc/39/70/12/535397012.db2.gz KIXPXRFJGZAFSE-MRVPVSSYSA-N 1 2 225.296 0.211 20 0 BCADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218043836 535427215 /nfs/dbraw/zinc/42/72/15/535427215.db2.gz DOUQSLSEYREUFJ-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218043836 535427218 /nfs/dbraw/zinc/42/72/18/535427218.db2.gz DOUQSLSEYREUFJ-NXEZZACHSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@@H]([NH2+]CCC(=O)NC)[C@@H](C)CC ZINC000347803745 535492141 /nfs/dbraw/zinc/49/21/41/535492141.db2.gz YRCPVJDOURNPLO-ONGXEEELSA-N 1 2 244.335 0.690 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000177841229 535577168 /nfs/dbraw/zinc/57/71/68/535577168.db2.gz DYPAFQVMBBYOAU-SECBINFHSA-N 1 2 243.351 0.487 20 0 BCADLO CC[C@@H](C)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000177841229 535577173 /nfs/dbraw/zinc/57/71/73/535577173.db2.gz DYPAFQVMBBYOAU-SECBINFHSA-N 1 2 243.351 0.487 20 0 BCADLO CCCn1ncnc1C[N@H+](C)CC[C@H](C)O ZINC000219861197 535643709 /nfs/dbraw/zinc/64/37/09/535643709.db2.gz DFSUMFJQXHYPNH-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCCn1ncnc1C[N@@H+](C)CC[C@H](C)O ZINC000219861197 535643711 /nfs/dbraw/zinc/64/37/11/535643711.db2.gz DFSUMFJQXHYPNH-JTQLQIEISA-N 1 2 226.324 0.891 20 0 BCADLO CCOCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000348219304 535663471 /nfs/dbraw/zinc/66/34/71/535663471.db2.gz LYMZDZBKKKLPKP-MNOVXSKESA-N 1 2 245.319 0.315 20 0 BCADLO CCOC[C@H](C)[NH2+][C@H](CC)C(=O)OC ZINC000168335993 535691020 /nfs/dbraw/zinc/69/10/20/535691020.db2.gz IMUUBIWMPMIUJA-DTWKUNHWSA-N 1 2 203.282 0.953 20 0 BCADLO CCN1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC000259338656 535710278 /nfs/dbraw/zinc/71/02/78/535710278.db2.gz JDUUAZCLFFRKRM-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CCN1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC000259338656 535710280 /nfs/dbraw/zinc/71/02/80/535710280.db2.gz JDUUAZCLFFRKRM-JTQLQIEISA-N 1 2 212.293 0.330 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CC2)[C@H](C)C1 ZINC000335943929 535723554 /nfs/dbraw/zinc/72/35/54/535723554.db2.gz OLUSYTUDTAGNRR-SECBINFHSA-N 1 2 232.349 0.505 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CC2)[C@H](C)C1 ZINC000335943929 535723557 /nfs/dbraw/zinc/72/35/57/535723557.db2.gz OLUSYTUDTAGNRR-SECBINFHSA-N 1 2 232.349 0.505 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000336023095 535723594 /nfs/dbraw/zinc/72/35/94/535723594.db2.gz XECWSZFMDQPQPV-UHFFFAOYSA-N 1 2 248.392 1.000 20 0 BCADLO CC[NH+]1CCN(S(=O)(=O)C2(C)CC2)CC1 ZINC000336178951 535723797 /nfs/dbraw/zinc/72/37/97/535723797.db2.gz BLPTVYAAENJOQF-UHFFFAOYSA-N 1 2 232.349 0.506 20 0 BCADLO CC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H](C)O1 ZINC000247482257 535847059 /nfs/dbraw/zinc/84/70/59/535847059.db2.gz JTSYCTVPUSQBDP-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H](C)O1 ZINC000247482257 535847067 /nfs/dbraw/zinc/84/70/67/535847067.db2.gz JTSYCTVPUSQBDP-RKDXNWHRSA-N 1 2 200.282 0.232 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)N(C)C)C(=O)OC ZINC000347994125 535871456 /nfs/dbraw/zinc/87/14/56/535871456.db2.gz DOBWIDUPAJTBGD-GXSJLCMTSA-N 1 2 244.335 0.642 20 0 BCADLO CC[C@H]([NH2+]CCOCCOC)C(=O)OC ZINC000168336472 535903939 /nfs/dbraw/zinc/90/39/39/535903939.db2.gz HBLTUIJWUYOMDQ-VIFPVBQESA-N 1 2 219.281 0.191 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)C(=O)OC ZINC000348190085 535945634 /nfs/dbraw/zinc/94/56/34/535945634.db2.gz YANLCKWMBLKZQD-UTLUCORTSA-N 1 2 242.319 0.442 20 0 BCADLO CCc1cc(N2CCNC(=O)C2)nc(C)[nH+]1 ZINC000265986077 536146119 /nfs/dbraw/zinc/14/61/19/536146119.db2.gz HDKUQTCNGOKDDO-UHFFFAOYSA-N 1 2 220.276 0.284 20 0 BCADLO CCc1ccc(C[N@@H+]2CCNC(=O)CC2)nc1 ZINC000334349418 536177465 /nfs/dbraw/zinc/17/74/65/536177465.db2.gz DNFBKFJDAZSJMR-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO CCc1ccc(C[N@H+]2CCNC(=O)CC2)nc1 ZINC000334349418 536177466 /nfs/dbraw/zinc/17/74/66/536177466.db2.gz DNFBKFJDAZSJMR-UHFFFAOYSA-N 1 2 233.315 0.966 20 0 BCADLO COC(=O)C[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000348734289 536301267 /nfs/dbraw/zinc/30/12/67/536301267.db2.gz IAYLRESYSQRORS-QMMMGPOBSA-N 1 2 239.275 0.615 20 0 BCADLO COC(=O)C[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000348734289 536301270 /nfs/dbraw/zinc/30/12/70/536301270.db2.gz IAYLRESYSQRORS-QMMMGPOBSA-N 1 2 239.275 0.615 20 0 BCADLO CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173975249 536313768 /nfs/dbraw/zinc/31/37/68/536313768.db2.gz ZWWAYCXHATVYLX-SNVBAGLBSA-N 1 2 227.308 0.122 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000335661726 536338573 /nfs/dbraw/zinc/33/85/73/536338573.db2.gz XDLJCFMMJOUZMJ-MRVPVSSYSA-N 1 2 224.264 0.178 20 0 BCADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000335661726 536338576 /nfs/dbraw/zinc/33/85/76/536338576.db2.gz XDLJCFMMJOUZMJ-MRVPVSSYSA-N 1 2 224.264 0.178 20 0 BCADLO C[NH+]1CCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 ZINC000335398253 536401044 /nfs/dbraw/zinc/40/10/44/536401044.db2.gz HEMJMHOLZUPBPR-UHFFFAOYSA-N 1 2 236.315 0.520 20 0 BCADLO COC(=O)[C@@]1([NH2+]CCCOC(C)C)CCOC1 ZINC000348118922 536578990 /nfs/dbraw/zinc/57/89/90/536578990.db2.gz XKGLSGMLLMXDGE-GFCCVEGCSA-N 1 2 245.319 0.723 20 0 BCADLO CO[C@H]1CC[N@H+](Cc2nnnn2C)[C@@H](C)C1 ZINC000408426985 536752711 /nfs/dbraw/zinc/75/27/11/536752711.db2.gz YDRLMOIWDOHPDO-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@H]1CC[N@@H+](Cc2nnnn2C)[C@@H](C)C1 ZINC000408426985 536752714 /nfs/dbraw/zinc/75/27/14/536752714.db2.gz YDRLMOIWDOHPDO-IUCAKERBSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000348239159 536835620 /nfs/dbraw/zinc/83/56/20/536835620.db2.gz PIVBBPXKYIWRIV-SNVBAGLBSA-N 1 2 226.280 0.511 20 0 BCADLO CO[C@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000348239159 536835626 /nfs/dbraw/zinc/83/56/26/536835626.db2.gz PIVBBPXKYIWRIV-SNVBAGLBSA-N 1 2 226.280 0.511 20 0 BCADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000336009586 536841568 /nfs/dbraw/zinc/84/15/68/536841568.db2.gz SYIFWQRKVUEXRV-JTQLQIEISA-N 1 2 214.309 0.431 20 0 BCADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)O ZINC000394017620 582941770 /nfs/dbraw/zinc/94/17/70/582941770.db2.gz OXUPURLWAIQYSX-VIFPVBQESA-N 1 2 225.292 0.549 20 0 BCADLO Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C)nc[nH+]1 ZINC000390406467 566344888 /nfs/dbraw/zinc/34/48/88/566344888.db2.gz BQNVRUOZHBCPNI-DTWKUNHWSA-N 1 2 220.276 0.864 20 0 BCADLO C[C@H](C[S@@](C)=O)Nc1nccn2c[nH+]cc12 ZINC000893137358 583054970 /nfs/dbraw/zinc/05/49/70/583054970.db2.gz APXCZDFVHLJMRT-VPTHRUTESA-N 1 2 238.316 0.908 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893426019 583141374 /nfs/dbraw/zinc/14/13/74/583141374.db2.gz FJAYKIUWXHHEEX-RKDXNWHRSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@@H]1C[C@@H](O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893426019 583141376 /nfs/dbraw/zinc/14/13/76/583141376.db2.gz FJAYKIUWXHHEEX-RKDXNWHRSA-N 1 2 222.292 0.502 20 0 BCADLO CCNC(=O)C[N@H+](CC)Cc1[nH]nc(C)c1C ZINC000893905027 583243229 /nfs/dbraw/zinc/24/32/29/583243229.db2.gz IFCMYHOBROLBBV-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCNC(=O)C[N@@H+](CC)Cc1[nH]nc(C)c1C ZINC000893905027 583243231 /nfs/dbraw/zinc/24/32/31/583243231.db2.gz IFCMYHOBROLBBV-UHFFFAOYSA-N 1 2 238.335 0.985 20 0 BCADLO CCCN(CC(N)=O)c1cc(N(C)C)nc[nH+]1 ZINC000893964585 583257126 /nfs/dbraw/zinc/25/71/26/583257126.db2.gz XFRRWHHLUNEHKJ-UHFFFAOYSA-N 1 2 237.307 0.244 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000894096519 583300950 /nfs/dbraw/zinc/30/09/50/583300950.db2.gz VJTSJIPIPKLAQO-SCZZXKLOSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000894096519 583300952 /nfs/dbraw/zinc/30/09/52/583300952.db2.gz VJTSJIPIPKLAQO-SCZZXKLOSA-N 1 2 226.276 0.565 20 0 BCADLO C[N@@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000853081127 588719018 /nfs/dbraw/zinc/71/90/18/588719018.db2.gz HIHCVBNOETYZJP-QMMMGPOBSA-N 1 2 209.249 0.950 20 0 BCADLO C[N@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000853081127 588719019 /nfs/dbraw/zinc/71/90/19/588719019.db2.gz HIHCVBNOETYZJP-QMMMGPOBSA-N 1 2 209.249 0.950 20 0 BCADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853096760 588719610 /nfs/dbraw/zinc/71/96/10/588719610.db2.gz LJWYNKFXORWQGU-GFCCVEGCSA-N 1 2 232.287 0.936 20 0 BCADLO C[C@H]1C[N@H+](CCNc2cnc(F)cn2)CCO1 ZINC000853250827 588729292 /nfs/dbraw/zinc/72/92/92/588729292.db2.gz BWSNBYFXZBOSBI-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO C[C@H]1C[N@@H+](CCNc2cnc(F)cn2)CCO1 ZINC000853250827 588729293 /nfs/dbraw/zinc/72/92/93/588729293.db2.gz BWSNBYFXZBOSBI-VIFPVBQESA-N 1 2 240.282 0.748 20 0 BCADLO CC[N@H+](Cn1nc(C)oc1=O)C1CCC1 ZINC000853496972 588746191 /nfs/dbraw/zinc/74/61/91/588746191.db2.gz MDEUJMYWBRLURQ-UHFFFAOYSA-N 1 2 211.265 0.977 20 0 BCADLO CC[N@@H+](Cn1nc(C)oc1=O)C1CCC1 ZINC000853496972 588746192 /nfs/dbraw/zinc/74/61/92/588746192.db2.gz MDEUJMYWBRLURQ-UHFFFAOYSA-N 1 2 211.265 0.977 20 0 BCADLO Cc1nn(C[NH+]2C3CCC2CC3)c(=O)o1 ZINC000853489900 588745659 /nfs/dbraw/zinc/74/56/59/588745659.db2.gz KMZHUVDPWMSLHU-UHFFFAOYSA-N 1 2 209.249 0.729 20 0 BCADLO COC[C@H]1CCC[N@@H+]1Cn1nc(C)oc1=O ZINC000853500394 588746479 /nfs/dbraw/zinc/74/64/79/588746479.db2.gz JVSXPAMOOXOUIQ-SECBINFHSA-N 1 2 227.264 0.213 20 0 BCADLO COC[C@H]1CCC[N@H+]1Cn1nc(C)oc1=O ZINC000853500394 588746480 /nfs/dbraw/zinc/74/64/80/588746480.db2.gz JVSXPAMOOXOUIQ-SECBINFHSA-N 1 2 227.264 0.213 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501007 588746526 /nfs/dbraw/zinc/74/65/26/588746526.db2.gz BYHVYPCCXXQGCP-SECBINFHSA-N 1 2 211.265 0.834 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501007 588746527 /nfs/dbraw/zinc/74/65/27/588746527.db2.gz BYHVYPCCXXQGCP-SECBINFHSA-N 1 2 211.265 0.834 20 0 BCADLO COC[C@@]1(C)CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853515973 588747178 /nfs/dbraw/zinc/74/71/78/588747178.db2.gz HCXTVOJRTUZZDE-NSHDSACASA-N 1 2 241.291 0.461 20 0 BCADLO COC[C@@]1(C)CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853515973 588747179 /nfs/dbraw/zinc/74/71/79/588747179.db2.gz HCXTVOJRTUZZDE-NSHDSACASA-N 1 2 241.291 0.461 20 0 BCADLO CO[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C[C@H]1C ZINC000853517647 588747198 /nfs/dbraw/zinc/74/71/98/588747198.db2.gz ZVTWWNRGQCZNAM-SCZZXKLOSA-N 1 2 241.291 0.459 20 0 BCADLO CO[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C[C@H]1C ZINC000853517647 588747199 /nfs/dbraw/zinc/74/71/99/588747199.db2.gz ZVTWWNRGQCZNAM-SCZZXKLOSA-N 1 2 241.291 0.459 20 0 BCADLO COCCCC[N@H+](C)Cn1nc(C)oc1=O ZINC000853516223 588747214 /nfs/dbraw/zinc/74/72/14/588747214.db2.gz RMTVTBIOOSGZJU-UHFFFAOYSA-N 1 2 229.280 0.461 20 0 BCADLO COCCCC[N@@H+](C)Cn1nc(C)oc1=O ZINC000853516223 588747215 /nfs/dbraw/zinc/74/72/15/588747215.db2.gz RMTVTBIOOSGZJU-UHFFFAOYSA-N 1 2 229.280 0.461 20 0 BCADLO C[N@H+](C[C@@H]1COCCO1)Cn1cc(Cl)cn1 ZINC000853557882 588749001 /nfs/dbraw/zinc/74/90/01/588749001.db2.gz PIXQJRHKXYLEHW-SNVBAGLBSA-N 1 2 245.710 0.841 20 0 BCADLO C[N@@H+](C[C@@H]1COCCO1)Cn1cc(Cl)cn1 ZINC000853557882 588749002 /nfs/dbraw/zinc/74/90/02/588749002.db2.gz PIXQJRHKXYLEHW-SNVBAGLBSA-N 1 2 245.710 0.841 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(=O)n1C ZINC000853573913 588749094 /nfs/dbraw/zinc/74/90/94/588749094.db2.gz BFVZXZSIPBTTDC-NXEZZACHSA-N 1 2 222.292 0.190 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(=O)n1C ZINC000853573913 588749095 /nfs/dbraw/zinc/74/90/95/588749095.db2.gz BFVZXZSIPBTTDC-NXEZZACHSA-N 1 2 222.292 0.190 20 0 BCADLO O=c1n2ccncc2nn1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575764 588749457 /nfs/dbraw/zinc/74/94/57/588749457.db2.gz JTDHXODAXGQCHP-UWVGGRQHSA-N 1 2 245.286 0.190 20 0 BCADLO O=c1n2ccncc2nn1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575764 588749458 /nfs/dbraw/zinc/74/94/58/588749458.db2.gz JTDHXODAXGQCHP-UWVGGRQHSA-N 1 2 245.286 0.190 20 0 BCADLO NC(=[NH+]OC[C@H]1COCCO1)c1ccccc1 ZINC000853637224 588751333 /nfs/dbraw/zinc/75/13/33/588751333.db2.gz QZWVAYNCNCSJOJ-LLVKDONJSA-N 1 2 236.271 0.949 20 0 BCADLO Cc1nn(C[N@H+](C)C[C@H]2CCOC2)c(=O)o1 ZINC000853502446 588746353 /nfs/dbraw/zinc/74/63/53/588746353.db2.gz ZRTBBFBXLQBWME-SECBINFHSA-N 1 2 227.264 0.071 20 0 BCADLO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c(=O)o1 ZINC000853502446 588746354 /nfs/dbraw/zinc/74/63/54/588746354.db2.gz ZRTBBFBXLQBWME-SECBINFHSA-N 1 2 227.264 0.071 20 0 BCADLO COC[C@H](CO[NH+]=C(N)COC(C)C)OC ZINC000853659676 588753201 /nfs/dbraw/zinc/75/32/01/588753201.db2.gz ZMXYLCGNCUOKTO-SECBINFHSA-N 1 2 234.296 0.571 20 0 BCADLO Cc1cc(N2CC[C@](O)(C(F)F)C2)nc[nH+]1 ZINC000853660008 588753439 /nfs/dbraw/zinc/75/34/39/588753439.db2.gz YZFSUFSPXYVXOP-SNVBAGLBSA-N 1 2 229.230 0.991 20 0 BCADLO CON1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000853671303 588754316 /nfs/dbraw/zinc/75/43/16/588754316.db2.gz MPHNUCHWKVGYCM-UHFFFAOYSA-N 1 2 208.265 0.468 20 0 BCADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC[C@H](C)O ZINC000853669935 588754324 /nfs/dbraw/zinc/75/43/24/588754324.db2.gz XDMVHFDRNCDSSX-ZETCQYMHSA-N 1 2 231.296 0.170 20 0 BCADLO CCn1ncnc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698393 588757608 /nfs/dbraw/zinc/75/76/08/588757608.db2.gz PYXQBRMMXUBIJU-MRVPVSSYSA-N 1 2 239.279 0.475 20 0 BCADLO CC1=NO[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000854139471 588776612 /nfs/dbraw/zinc/77/66/12/588776612.db2.gz AWCAFYRVCOVENU-SNVBAGLBSA-N 1 2 236.275 0.554 20 0 BCADLO O=C(NN1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000854327565 588784180 /nfs/dbraw/zinc/78/41/80/588784180.db2.gz QFTUMNXWTFRMAE-SNVBAGLBSA-N 1 2 234.303 0.573 20 0 BCADLO CC1(C)COCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854327721 588784192 /nfs/dbraw/zinc/78/41/92/588784192.db2.gz WHBFPEKZBSOPIX-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO CCOC1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854473823 588788984 /nfs/dbraw/zinc/78/89/84/588788984.db2.gz FTEAJKNZYBGIEX-UHFFFAOYSA-N 1 2 237.303 0.978 20 0 BCADLO CC[C@H](CO)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594173 588796512 /nfs/dbraw/zinc/79/65/12/588796512.db2.gz GBEOFBBTUHIMBM-HTQZYQBOSA-N 1 2 211.265 0.605 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1COC(=O)C1)n1cc[nH+]c1 ZINC000854552957 588793591 /nfs/dbraw/zinc/79/35/91/588793591.db2.gz PTVLWDKPWZIJQB-BDAKNGLRSA-N 1 2 237.259 0.266 20 0 BCADLO COC/C=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594054 588796478 /nfs/dbraw/zinc/79/64/78/588796478.db2.gz BTSRBRABBPPXFO-TUUFMJSCSA-N 1 2 209.249 0.790 20 0 BCADLO COCC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594054 588796479 /nfs/dbraw/zinc/79/64/79/588796479.db2.gz BTSRBRABBPPXFO-TUUFMJSCSA-N 1 2 209.249 0.790 20 0 BCADLO CCc1nocc1C(=O)NCc1c[nH+]cn1C ZINC000854499037 588789646 /nfs/dbraw/zinc/78/96/46/588789646.db2.gz QIAKKOWEGJJLEC-UHFFFAOYSA-N 1 2 234.259 0.901 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000854498249 588789653 /nfs/dbraw/zinc/78/96/53/588789653.db2.gz ANQZDTOMKBQWFB-ZANVPECISA-N 1 2 249.314 0.851 20 0 BCADLO CC[C@@H](CO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854687460 588800678 /nfs/dbraw/zinc/80/06/78/588800678.db2.gz KSCFYSAVHCQCDS-QMMMGPOBSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@H](CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854681923 588800992 /nfs/dbraw/zinc/80/09/92/588800992.db2.gz CXXOJGDDTCNNBE-VIFPVBQESA-N 1 2 225.292 0.477 20 0 BCADLO C[C@@H](CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854681922 588801063 /nfs/dbraw/zinc/80/10/63/588801063.db2.gz CXXOJGDDTCNNBE-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO O=C(NC(CF)CF)[C@H]1CCc2[nH+]ccn2C1 ZINC000854687553 588801425 /nfs/dbraw/zinc/80/14/25/588801425.db2.gz FTPLALQGQOZDPB-QMMMGPOBSA-N 1 2 243.257 0.869 20 0 BCADLO C[NH+](C)CCONC(=O)Cc1cscn1 ZINC000854690898 588801810 /nfs/dbraw/zinc/80/18/10/588801810.db2.gz PEPGVFOTHBKYDH-UHFFFAOYSA-N 1 2 229.305 0.295 20 0 BCADLO CC(=O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854732603 588804615 /nfs/dbraw/zinc/80/46/15/588804615.db2.gz AHMNKWHXAQXDLS-JTQLQIEISA-N 1 2 235.287 0.922 20 0 BCADLO CC[C@H]1[C@H](CO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854746815 588805064 /nfs/dbraw/zinc/80/50/64/588805064.db2.gz HECAQNDDLUZTOX-UWVGGRQHSA-N 1 2 237.303 0.572 20 0 BCADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC(C)=NO1 ZINC000854757359 588806067 /nfs/dbraw/zinc/80/60/67/588806067.db2.gz QVPTZHTUDVIAEA-SECBINFHSA-N 1 2 236.275 0.684 20 0 BCADLO CC1=NO[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000854802359 588810830 /nfs/dbraw/zinc/81/08/30/588810830.db2.gz IYHPGPNZFMLOHB-SNVBAGLBSA-N 1 2 239.319 0.609 20 0 BCADLO CON1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000854856269 588813700 /nfs/dbraw/zinc/81/37/00/588813700.db2.gz YYJUXIDJLJQXEE-UHFFFAOYSA-N 1 2 238.291 0.048 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2COC[C@@H]21 ZINC000854893982 588815722 /nfs/dbraw/zinc/81/57/22/588815722.db2.gz SJQBUPSIJJOLLB-VHSXEESVSA-N 1 2 249.314 0.836 20 0 BCADLO C[C@@H]1C[C@H](O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854896034 588815848 /nfs/dbraw/zinc/81/58/48/588815848.db2.gz ZMIUORTTWFMERS-BDAKNGLRSA-N 1 2 223.276 0.182 20 0 BCADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CS1 ZINC000854934467 588817145 /nfs/dbraw/zinc/81/71/45/588817145.db2.gz SXJSIYLIQRBXHA-YUMQZZPRSA-N 1 2 225.317 0.962 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H](CO)C1 ZINC000854951255 588818505 /nfs/dbraw/zinc/81/85/05/588818505.db2.gz SJVGRSIIVSTJGZ-UWVGGRQHSA-N 1 2 237.303 0.620 20 0 BCADLO CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855014006 588820497 /nfs/dbraw/zinc/82/04/97/588820497.db2.gz GKBJYYKCKZXVCU-NXEZZACHSA-N 1 2 239.319 0.866 20 0 BCADLO CCCNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000009960965 588822308 /nfs/dbraw/zinc/82/23/08/588822308.db2.gz VYPQTMVIYUFLFT-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CCCNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000009960965 588822309 /nfs/dbraw/zinc/82/23/09/588822309.db2.gz VYPQTMVIYUFLFT-SNVBAGLBSA-N 1 2 241.335 0.113 20 0 BCADLO CO[C@@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134615 588822626 /nfs/dbraw/zinc/82/26/26/588822626.db2.gz ULRVMLUCRJEAEP-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CO[C@@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134615 588822627 /nfs/dbraw/zinc/82/26/27/588822627.db2.gz ULRVMLUCRJEAEP-QMMMGPOBSA-N 1 2 211.265 0.793 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C=Cc1cnn(C)c1 ZINC000855134587 588822773 /nfs/dbraw/zinc/82/27/73/588822773.db2.gz TYWQVHIYENOLEL-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C=Cc1cnn(C)c1 ZINC000855134587 588822774 /nfs/dbraw/zinc/82/27/74/588822774.db2.gz TYWQVHIYENOLEL-ONEGZZNKSA-N 1 2 245.286 0.815 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@](C)(O)C1CCC1 ZINC000855136033 588823465 /nfs/dbraw/zinc/82/34/65/588823465.db2.gz LPQLVONCFBPFFG-GFCCVEGCSA-N 1 2 237.303 0.919 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@](C)(O)C1CCC1 ZINC000855136033 588823466 /nfs/dbraw/zinc/82/34/66/588823466.db2.gz LPQLVONCFBPFFG-GFCCVEGCSA-N 1 2 237.303 0.919 20 0 BCADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859325326 582488658 /nfs/dbraw/zinc/48/86/58/582488658.db2.gz OMPRRCCRYKTXLQ-SECBINFHSA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859325326 582488660 /nfs/dbraw/zinc/48/86/60/582488660.db2.gz OMPRRCCRYKTXLQ-SECBINFHSA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)n1 ZINC000859663282 582490319 /nfs/dbraw/zinc/49/03/19/582490319.db2.gz MJRYJGZNSGUEAV-VIFPVBQESA-N 1 2 223.251 0.670 20 0 BCADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000859663282 582490320 /nfs/dbraw/zinc/49/03/20/582490320.db2.gz MJRYJGZNSGUEAV-VIFPVBQESA-N 1 2 223.251 0.670 20 0 BCADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)F)[C@@H](C)CO1 ZINC000855413053 588831717 /nfs/dbraw/zinc/83/17/17/588831717.db2.gz ZKWZFSXTDMSGQD-UWVGGRQHSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)F)[C@@H](C)CO1 ZINC000855413053 588831718 /nfs/dbraw/zinc/83/17/18/588831718.db2.gz ZKWZFSXTDMSGQD-UWVGGRQHSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)F ZINC000855413055 588831862 /nfs/dbraw/zinc/83/18/62/588831862.db2.gz ZKWZFSXTDMSGQD-ZJUUUORDSA-N 1 2 246.326 0.960 20 0 BCADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)F ZINC000855413055 588831863 /nfs/dbraw/zinc/83/18/63/588831863.db2.gz ZKWZFSXTDMSGQD-ZJUUUORDSA-N 1 2 246.326 0.960 20 0 BCADLO CN(C)[C@H](C(=O)N[C@H]1C=CCC1)c1c[nH+]cn1C ZINC000855432854 588835807 /nfs/dbraw/zinc/83/58/07/588835807.db2.gz MOZPUCSQQLUQTA-JQWIXIFHSA-N 1 2 248.330 0.858 20 0 BCADLO CCCONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000844086419 582569487 /nfs/dbraw/zinc/56/94/87/582569487.db2.gz PAHVCDUHKXLRBD-SECBINFHSA-N 1 2 223.276 0.903 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](O)C(F)(F)C1 ZINC000855443024 588837258 /nfs/dbraw/zinc/83/72/58/588837258.db2.gz MHTDWJMHHSDKIB-SSDOTTSWSA-N 1 2 245.229 0.181 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891034053 582598543 /nfs/dbraw/zinc/59/85/43/582598543.db2.gz KLEWDMCGHXOIRI-MNOVXSKESA-N 1 2 235.287 0.493 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891034053 582598545 /nfs/dbraw/zinc/59/85/45/582598545.db2.gz KLEWDMCGHXOIRI-MNOVXSKESA-N 1 2 235.287 0.493 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891047677 582601630 /nfs/dbraw/zinc/60/16/30/582601630.db2.gz RJKYEKCPEXSGTL-WDEREUQCSA-N 1 2 249.314 0.884 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891047675 582601923 /nfs/dbraw/zinc/60/19/23/582601923.db2.gz RJKYEKCPEXSGTL-MNOVXSKESA-N 1 2 249.314 0.884 20 0 BCADLO CN(CC1C[NH+](C)C1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000855640674 588843039 /nfs/dbraw/zinc/84/30/39/588843039.db2.gz ZTPFBPMSUBOXNK-UHFFFAOYSA-N 1 2 248.330 0.921 20 0 BCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1COC2(CCC2)C1 ZINC000855656252 588843719 /nfs/dbraw/zinc/84/37/19/588843719.db2.gz OMXUVYRQIHTSCO-JTQLQIEISA-N 1 2 235.287 0.711 20 0 BCADLO C[C@@H](O)c1cccc(NCCOCCO)[nH+]1 ZINC000891460188 582690896 /nfs/dbraw/zinc/69/08/96/582690896.db2.gz OAECCRZHWRIWLB-SECBINFHSA-N 1 2 226.276 0.556 20 0 BCADLO COC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000891467949 582691219 /nfs/dbraw/zinc/69/12/19/582691219.db2.gz PZPYFDARHBRKEJ-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO COc1ccc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000891486326 582692604 /nfs/dbraw/zinc/69/26/04/582692604.db2.gz FJFUWUKODNLSEW-UHFFFAOYSA-N 1 2 226.276 0.984 20 0 BCADLO COc1ccc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000891486326 582692607 /nfs/dbraw/zinc/69/26/07/582692607.db2.gz FJFUWUKODNLSEW-UHFFFAOYSA-N 1 2 226.276 0.984 20 0 BCADLO C[C@H](O)c1cccc(NCC(=O)NC2CC2)[nH+]1 ZINC000891588682 582700021 /nfs/dbraw/zinc/70/00/21/582700021.db2.gz DBVUDAAPIHNESA-QMMMGPOBSA-N 1 2 235.287 0.825 20 0 BCADLO CCc1cc(N[C@@H](C)C(N)=O)nc(CC)[nH+]1 ZINC000891615956 582702328 /nfs/dbraw/zinc/70/23/28/582702328.db2.gz ZSRQABAZWYXDTO-ZETCQYMHSA-N 1 2 222.292 0.887 20 0 BCADLO CCN(CC(=O)NC)Cc1[nH+]ccn1C1CC1 ZINC000891612262 582702405 /nfs/dbraw/zinc/70/24/05/582702405.db2.gz SDYZZVKWFDDPEN-UHFFFAOYSA-N 1 2 236.319 0.786 20 0 BCADLO CNc1cc(NCc2nnc3n2CCC3)nc[nH+]1 ZINC000891655637 582706597 /nfs/dbraw/zinc/70/65/97/582706597.db2.gz HRSUSFPJYPRTEO-UHFFFAOYSA-N 1 2 245.290 0.668 20 0 BCADLO CNc1cc(NCc2nnc3n2CCC3)[nH+]cn1 ZINC000891655637 582706599 /nfs/dbraw/zinc/70/65/99/582706599.db2.gz HRSUSFPJYPRTEO-UHFFFAOYSA-N 1 2 245.290 0.668 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891729674 582714578 /nfs/dbraw/zinc/71/45/78/582714578.db2.gz VQYGCVLPZNQGQI-JTQLQIEISA-N 1 2 238.287 0.999 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)o1 ZINC000891729674 582714580 /nfs/dbraw/zinc/71/45/80/582714580.db2.gz VQYGCVLPZNQGQI-JTQLQIEISA-N 1 2 238.287 0.999 20 0 BCADLO CNC(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C1CC1 ZINC000891728574 582714745 /nfs/dbraw/zinc/71/47/45/582714745.db2.gz MCERVCYLKQVKIF-NSHDSACASA-N 1 2 248.330 0.928 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nccn1C1CC1 ZINC000891728574 582714747 /nfs/dbraw/zinc/71/47/47/582714747.db2.gz MCERVCYLKQVKIF-NSHDSACASA-N 1 2 248.330 0.928 20 0 BCADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nccn1C1CC1 ZINC000891728574 582714748 /nfs/dbraw/zinc/71/47/48/582714748.db2.gz MCERVCYLKQVKIF-NSHDSACASA-N 1 2 248.330 0.928 20 0 BCADLO Cn1cc(C[N@@H+]2CCCNC(=O)C2)c(C2CC2)n1 ZINC000891810357 582725172 /nfs/dbraw/zinc/72/51/72/582725172.db2.gz UUTKLFORHVUFGX-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO Cn1cc(C[N@H+]2CCCNC(=O)C2)c(C2CC2)n1 ZINC000891810357 582725174 /nfs/dbraw/zinc/72/51/74/582725174.db2.gz UUTKLFORHVUFGX-UHFFFAOYSA-N 1 2 248.330 0.619 20 0 BCADLO OCC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891845299 582729196 /nfs/dbraw/zinc/72/91/96/582729196.db2.gz LWKPSDCRLQWESY-UHFFFAOYSA-N 1 2 232.287 0.938 20 0 BCADLO C[C@H](O)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892003686 582758726 /nfs/dbraw/zinc/75/87/26/582758726.db2.gz CSUFHRLIGPBIIM-QMMMGPOBSA-N 1 2 210.281 0.360 20 0 BCADLO C[C@H](O)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892003686 582758728 /nfs/dbraw/zinc/75/87/28/582758728.db2.gz CSUFHRLIGPBIIM-QMMMGPOBSA-N 1 2 210.281 0.360 20 0 BCADLO c1nc2n(c1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCOC2 ZINC000892052224 582775926 /nfs/dbraw/zinc/77/59/26/582775926.db2.gz IENNXKVQWLNION-TXEJJXNPSA-N 1 2 249.314 0.777 20 0 BCADLO c1nc2n(c1C[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCOC2 ZINC000892052224 582775927 /nfs/dbraw/zinc/77/59/27/582775927.db2.gz IENNXKVQWLNION-TXEJJXNPSA-N 1 2 249.314 0.777 20 0 BCADLO CN1CC[N@H+](Cc2cccc3c2OCC3)CC1=O ZINC000892058908 582778665 /nfs/dbraw/zinc/77/86/65/582778665.db2.gz MRHBLHYSKFNRPB-UHFFFAOYSA-N 1 2 246.310 0.896 20 0 BCADLO CN1CC[N@@H+](Cc2cccc3c2OCC3)CC1=O ZINC000892058908 582778667 /nfs/dbraw/zinc/77/86/67/582778667.db2.gz MRHBLHYSKFNRPB-UHFFFAOYSA-N 1 2 246.310 0.896 20 0 BCADLO CC[N@H+](CC1CC1)Cn1nc(COC)oc1=O ZINC000119697062 582795954 /nfs/dbraw/zinc/79/59/54/582795954.db2.gz UMEHFVZBLADTPC-UHFFFAOYSA-N 1 2 241.291 0.672 20 0 BCADLO CC[N@@H+](CC1CC1)Cn1nc(COC)oc1=O ZINC000119697062 582795956 /nfs/dbraw/zinc/79/59/56/582795956.db2.gz UMEHFVZBLADTPC-UHFFFAOYSA-N 1 2 241.291 0.672 20 0 BCADLO CNc1cc(N[C@H](C)Cn2cncn2)nc[nH+]1 ZINC000892127114 582796250 /nfs/dbraw/zinc/79/62/50/582796250.db2.gz MHROSTYOWMIZRG-MRVPVSSYSA-N 1 2 233.279 0.610 20 0 BCADLO CNc1cc(N[C@H](C)Cn2cncn2)[nH+]cn1 ZINC000892127114 582796252 /nfs/dbraw/zinc/79/62/52/582796252.db2.gz MHROSTYOWMIZRG-MRVPVSSYSA-N 1 2 233.279 0.610 20 0 BCADLO c1[nH+]cn2ccnc(N3CCCOCC3)c12 ZINC000892126004 582796769 /nfs/dbraw/zinc/79/67/69/582796769.db2.gz ULONNSAGSQQWIV-UHFFFAOYSA-N 1 2 218.260 0.956 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c21)N[C@]12C[C@H]1COC2 ZINC000889120457 582803422 /nfs/dbraw/zinc/80/34/22/582803422.db2.gz GVCYFKBGSCJNGQ-AUTRQRHGSA-N 1 2 248.286 0.416 20 0 BCADLO Cc1[nH]c(C(=O)NCC2(C)OCCCO2)c[nH+]1 ZINC000277600788 582816556 /nfs/dbraw/zinc/81/65/56/582816556.db2.gz SJYNRGOMQSVSCP-UHFFFAOYSA-N 1 2 239.275 0.601 20 0 BCADLO Cc1cnnc(N(C)CC[NH+]2CCOCC2)c1 ZINC000892285820 582827036 /nfs/dbraw/zinc/82/70/36/582827036.db2.gz YTXYNPGVPALQRH-UHFFFAOYSA-N 1 2 236.319 0.553 20 0 BCADLO COC(=O)N(C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000855941562 588854964 /nfs/dbraw/zinc/85/49/64/588854964.db2.gz UUGURAOGXNAXJN-UHFFFAOYSA-N 1 2 240.263 0.146 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000889336826 582848730 /nfs/dbraw/zinc/84/87/30/582848730.db2.gz IQPJVKYNUMDRBI-QWRGUYRKSA-N 1 2 237.303 0.598 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000725779220 582849026 /nfs/dbraw/zinc/84/90/26/582849026.db2.gz RGIUOYKDLNFWAB-SNVBAGLBSA-N 1 2 232.287 0.795 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000725779220 582849027 /nfs/dbraw/zinc/84/90/27/582849027.db2.gz RGIUOYKDLNFWAB-SNVBAGLBSA-N 1 2 232.287 0.795 20 0 BCADLO CN(C)c1cc(N2CCS(=O)CC2)[nH+]cn1 ZINC000892327623 582851036 /nfs/dbraw/zinc/85/10/36/582851036.db2.gz MVEUMAPNQXRAQF-UHFFFAOYSA-N 1 2 240.332 0.111 20 0 BCADLO CNc1cc(N(C)Cc2cc[nH]n2)nc[nH+]1 ZINC000892481569 582896347 /nfs/dbraw/zinc/89/63/47/582896347.db2.gz NWTNSWVIFBXHDM-UHFFFAOYSA-N 1 2 218.264 0.878 20 0 BCADLO CN(C)c1cc(NCC2(C)COC2)[nH+]cn1 ZINC000892505571 582901074 /nfs/dbraw/zinc/90/10/74/582901074.db2.gz CHTALTMCXFKRPG-UHFFFAOYSA-N 1 2 222.292 0.991 20 0 BCADLO CN(C)c1cc(NCC2(C)COC2)nc[nH+]1 ZINC000892505571 582901076 /nfs/dbraw/zinc/90/10/76/582901076.db2.gz CHTALTMCXFKRPG-UHFFFAOYSA-N 1 2 222.292 0.991 20 0 BCADLO C[C@H](O)C1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000856127449 588861576 /nfs/dbraw/zinc/86/15/76/588861576.db2.gz BFGOYSZMHBZALL-VIFPVBQESA-N 1 2 245.282 0.978 20 0 BCADLO CN(c1nccn2c[nH+]cc12)[C@@H]1CCN(C)C1=O ZINC000892615524 582930630 /nfs/dbraw/zinc/93/06/30/582930630.db2.gz SMVCXJFFKAFMKI-SECBINFHSA-N 1 2 245.286 0.396 20 0 BCADLO C[C@@H](NC(=O)C(F)F)c1[nH+]ccn1C ZINC000856275379 588866287 /nfs/dbraw/zinc/86/62/87/588866287.db2.gz BJYRVBSBFPOUCK-RXMQYKEDSA-N 1 2 203.192 0.862 20 0 BCADLO Cc1nonc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856278010 588866514 /nfs/dbraw/zinc/86/65/14/588866514.db2.gz VQIDRZWDOBUSMB-SSDOTTSWSA-N 1 2 235.247 0.603 20 0 BCADLO C[C@H](NC(=O)C1=COCC1)c1[nH+]ccn1C ZINC000856277569 588866602 /nfs/dbraw/zinc/86/66/02/588866602.db2.gz MATDMDFYKKZGEN-QMMMGPOBSA-N 1 2 221.260 0.902 20 0 BCADLO C[C@@H](NC(=O)C1=COCC1)c1[nH+]ccn1C ZINC000856277568 588866671 /nfs/dbraw/zinc/86/66/71/588866671.db2.gz MATDMDFYKKZGEN-MRVPVSSYSA-N 1 2 221.260 0.902 20 0 BCADLO C[C@H](NC(=O)c1cn(C)c(=O)[nH]1)c1[nH+]ccn1C ZINC000856280998 588867085 /nfs/dbraw/zinc/86/70/85/588867085.db2.gz KUVPGRVDJKHVCE-ZETCQYMHSA-N 1 2 249.274 0.350 20 0 BCADLO CNc1cc(N2CCC[C@H](CC(N)=O)C2)nc[nH+]1 ZINC000892774576 582980372 /nfs/dbraw/zinc/98/03/72/582980372.db2.gz NGDRSCCMGJGTAD-SECBINFHSA-N 1 2 249.318 0.610 20 0 BCADLO CNc1cc(N2CCC[C@H](CC(N)=O)C2)[nH+]cn1 ZINC000892774576 582980373 /nfs/dbraw/zinc/98/03/73/582980373.db2.gz NGDRSCCMGJGTAD-SECBINFHSA-N 1 2 249.318 0.610 20 0 BCADLO CNc1cc(N2CCn3nc(C)nc3C2)nc[nH+]1 ZINC000892785226 582981716 /nfs/dbraw/zinc/98/17/16/582981716.db2.gz CRSUOZAOPBZIIV-UHFFFAOYSA-N 1 2 245.290 0.438 20 0 BCADLO CNc1cc(N2CCn3nc(C)nc3C2)[nH+]cn1 ZINC000892785226 582981718 /nfs/dbraw/zinc/98/17/18/582981718.db2.gz CRSUOZAOPBZIIV-UHFFFAOYSA-N 1 2 245.290 0.438 20 0 BCADLO CCc1cc(NC(C)(CO)CO)nc(CC)[nH+]1 ZINC000892840006 582992793 /nfs/dbraw/zinc/99/27/93/582992793.db2.gz XXAGNGHBVPHZOI-UHFFFAOYSA-N 1 2 239.319 0.757 20 0 BCADLO CN(C)c1cc(N2CCC[C@](C)(O)C2)nc[nH+]1 ZINC000893062578 583039929 /nfs/dbraw/zinc/03/99/29/583039929.db2.gz UUDNQJKJVYRRMF-LBPRGKRZSA-N 1 2 236.319 0.894 20 0 BCADLO CN(C)c1cc(N2CCC[C@](C)(O)C2)[nH+]cn1 ZINC000893062578 583039931 /nfs/dbraw/zinc/03/99/31/583039931.db2.gz UUDNQJKJVYRRMF-LBPRGKRZSA-N 1 2 236.319 0.894 20 0 BCADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893080488 583044753 /nfs/dbraw/zinc/04/47/53/583044753.db2.gz PAQPMGUZEDYZMJ-WCBMZHEXSA-N 1 2 218.260 0.546 20 0 BCADLO CC[C@@H](CCO)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893146881 583057157 /nfs/dbraw/zinc/05/71/57/583057157.db2.gz PTZHEPSZDRNJOO-VIFPVBQESA-N 1 2 240.307 0.380 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[C@@H]1O ZINC000893269079 583081286 /nfs/dbraw/zinc/08/12/86/583081286.db2.gz LOJGNFRNJYIEQK-UWVGGRQHSA-N 1 2 236.319 0.750 20 0 BCADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)CC[C@@H]1O ZINC000893269079 583081288 /nfs/dbraw/zinc/08/12/88/583081288.db2.gz LOJGNFRNJYIEQK-UWVGGRQHSA-N 1 2 236.319 0.750 20 0 BCADLO CCO/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000840590012 583094391 /nfs/dbraw/zinc/09/43/91/583094391.db2.gz SAQCFSZEAAHCBO-TZOMUSMUSA-N 1 2 243.303 0.801 20 0 BCADLO CCO/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000840590012 583094395 /nfs/dbraw/zinc/09/43/95/583094395.db2.gz SAQCFSZEAAHCBO-TZOMUSMUSA-N 1 2 243.303 0.801 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCC1SCCS1 ZINC000856160352 583116174 /nfs/dbraw/zinc/11/61/74/583116174.db2.gz OFEXONVOYAISKF-UHFFFAOYSA-N 1 2 243.357 0.875 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776580079 583124515 /nfs/dbraw/zinc/12/45/15/583124515.db2.gz QWALYZXPZUYARY-SNVBAGLBSA-N 1 2 243.303 0.681 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776580079 583124516 /nfs/dbraw/zinc/12/45/16/583124516.db2.gz QWALYZXPZUYARY-SNVBAGLBSA-N 1 2 243.303 0.681 20 0 BCADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ncn(C)n1 ZINC000893368823 583128583 /nfs/dbraw/zinc/12/85/83/583128583.db2.gz ZZXYVJMFQVCQNV-QMMMGPOBSA-N 1 2 247.306 0.844 20 0 BCADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ncn(C)n1 ZINC000893368823 583128585 /nfs/dbraw/zinc/12/85/85/583128585.db2.gz ZZXYVJMFQVCQNV-QMMMGPOBSA-N 1 2 247.306 0.844 20 0 BCADLO CN(CC1(CO)CC1)c1nccn2c[nH+]cc12 ZINC000893383517 583132712 /nfs/dbraw/zinc/13/27/12/583132712.db2.gz XGFKUAKDPKIMPJ-UHFFFAOYSA-N 1 2 232.287 0.938 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893380909 583133129 /nfs/dbraw/zinc/13/31/29/583133129.db2.gz ZFLFUWVHHYWMKI-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893380909 583133130 /nfs/dbraw/zinc/13/31/30/583133130.db2.gz ZFLFUWVHHYWMKI-SECBINFHSA-N 1 2 249.318 0.210 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1cc(N(C)C)[nH+]cn1 ZINC000893426017 583141292 /nfs/dbraw/zinc/14/12/92/583141292.db2.gz FJAYKIUWXHHEEX-IUCAKERBSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@H]1C[C@H](O)CN1c1cc(N(C)C)nc[nH+]1 ZINC000893426017 583141294 /nfs/dbraw/zinc/14/12/94/583141294.db2.gz FJAYKIUWXHHEEX-IUCAKERBSA-N 1 2 222.292 0.502 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000893427250 583141516 /nfs/dbraw/zinc/14/15/16/583141516.db2.gz KJZWEPQSBHQJCP-SVRRBLITSA-N 1 2 235.291 0.291 20 0 BCADLO C[C@@H]1C[C@H](O)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000893427250 583141518 /nfs/dbraw/zinc/14/15/18/583141518.db2.gz KJZWEPQSBHQJCP-SVRRBLITSA-N 1 2 235.291 0.291 20 0 BCADLO CCc1cc(N(CC)CC(N)=O)nc(CC)[nH+]1 ZINC000893436131 583142938 /nfs/dbraw/zinc/14/29/38/583142938.db2.gz GVSXPYYGGQPAAV-UHFFFAOYSA-N 1 2 236.319 0.913 20 0 BCADLO COc1nccc(C[NH2+]C2(C(N)=O)CC2)c1F ZINC000893554088 583163424 /nfs/dbraw/zinc/16/34/24/583163424.db2.gz SWHPTCJKWFWDFT-UHFFFAOYSA-N 1 2 239.250 0.337 20 0 BCADLO CCN1CCN(Cc2[nH+]ccn2C2CC2)CC1=O ZINC000893568382 583165304 /nfs/dbraw/zinc/16/53/04/583165304.db2.gz GUTBOKHNBXJCSI-UHFFFAOYSA-N 1 2 248.330 0.882 20 0 BCADLO COC(=O)[C@@H](C)N(C)c1nccn2c[nH+]cc12 ZINC000893620964 583174975 /nfs/dbraw/zinc/17/49/75/583174975.db2.gz NXKSNXIBABJSDU-MRVPVSSYSA-N 1 2 234.259 0.727 20 0 BCADLO CCc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc[nH+]1 ZINC000095305083 583175768 /nfs/dbraw/zinc/17/57/68/583175768.db2.gz QDMNEJGRBVEZLP-MRVPVSSYSA-N 1 2 247.306 0.792 20 0 BCADLO CCc1cc(N2CC(CC(N)=O)C2)nc(CC)[nH+]1 ZINC000893631368 583178496 /nfs/dbraw/zinc/17/84/96/583178496.db2.gz SCLUZNAJWFZHAZ-UHFFFAOYSA-N 1 2 248.330 0.913 20 0 BCADLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)nn1 ZINC000840952544 583178934 /nfs/dbraw/zinc/17/89/34/583178934.db2.gz DRUKGHZNCRHSDA-UHFFFAOYSA-N 1 2 221.304 0.988 20 0 BCADLO C[C@H](CO)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857045975 588884385 /nfs/dbraw/zinc/88/43/85/588884385.db2.gz CPPHZWFKCGKAAQ-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO C[C@H](CO)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857045975 588884386 /nfs/dbraw/zinc/88/43/86/588884386.db2.gz CPPHZWFKCGKAAQ-SSDOTTSWSA-N 1 2 217.700 0.886 20 0 BCADLO OC[C@@]1(F)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893728446 583215661 /nfs/dbraw/zinc/21/56/61/583215661.db2.gz RGYDRGKUSAKFHN-LLVKDONJSA-N 1 2 236.250 0.640 20 0 BCADLO Cc1n[nH]c(C[N@@H+](CC(N)=O)C(C)C)c1C ZINC000893902512 583243013 /nfs/dbraw/zinc/24/30/13/583243013.db2.gz QNRKHYWLKFONMC-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO Cc1n[nH]c(C[N@H+](CC(N)=O)C(C)C)c1C ZINC000893902512 583243015 /nfs/dbraw/zinc/24/30/15/583243015.db2.gz QNRKHYWLKFONMC-UHFFFAOYSA-N 1 2 224.308 0.722 20 0 BCADLO C[N@H+](CC(N)=O)Cc1ccc2oc(=O)oc2c1 ZINC000893927034 583249701 /nfs/dbraw/zinc/24/97/01/583249701.db2.gz ZQPUEKHNGGQTLY-UHFFFAOYSA-N 1 2 236.227 0.303 20 0 BCADLO C[N@@H+](CC(N)=O)Cc1ccc2oc(=O)oc2c1 ZINC000893927034 583249703 /nfs/dbraw/zinc/24/97/03/583249703.db2.gz ZQPUEKHNGGQTLY-UHFFFAOYSA-N 1 2 236.227 0.303 20 0 BCADLO CCCN(CC(N)=O)c1cc(N(C)C)[nH+]cn1 ZINC000893964585 583257123 /nfs/dbraw/zinc/25/71/23/583257123.db2.gz XFRRWHHLUNEHKJ-UHFFFAOYSA-N 1 2 237.307 0.244 20 0 BCADLO CCNC(=O)CN(C)Cc1c(C)cc[nH+]c1N ZINC000893966641 583263497 /nfs/dbraw/zinc/26/34/97/583263497.db2.gz RQQAKHKTKWXTFN-UHFFFAOYSA-N 1 2 236.319 0.540 20 0 BCADLO CCc1nnc(CNc2cc(NC)[nH+]cn2)[nH]1 ZINC000894008547 583270123 /nfs/dbraw/zinc/27/01/23/583270123.db2.gz OXEJLZYXOJOSPT-UHFFFAOYSA-N 1 2 233.279 0.811 20 0 BCADLO Cc1coc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000893987571 583270130 /nfs/dbraw/zinc/27/01/30/583270130.db2.gz UPKDYJYFAKTEIQ-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO Cc1coc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000893987571 583270131 /nfs/dbraw/zinc/27/01/31/583270131.db2.gz UPKDYJYFAKTEIQ-JTQLQIEISA-N 1 2 224.260 0.274 20 0 BCADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000893989666 583270615 /nfs/dbraw/zinc/27/06/15/583270615.db2.gz VDPWGAWAJGHSOO-SECBINFHSA-N 1 2 245.286 0.956 20 0 BCADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000893989666 583270619 /nfs/dbraw/zinc/27/06/19/583270619.db2.gz VDPWGAWAJGHSOO-SECBINFHSA-N 1 2 245.286 0.956 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCNC(=O)CC2)c1C ZINC000894003485 583272802 /nfs/dbraw/zinc/27/28/02/583272802.db2.gz LADRUEJCNHFESD-UHFFFAOYSA-N 1 2 222.292 0.348 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCNC(=O)CC2)c1C ZINC000894003485 583272805 /nfs/dbraw/zinc/27/28/05/583272805.db2.gz LADRUEJCNHFESD-UHFFFAOYSA-N 1 2 222.292 0.348 20 0 BCADLO CC(C)c1c[nH]c(CN2CCN(C)C(=O)C2)[nH+]1 ZINC000894032544 583277585 /nfs/dbraw/zinc/27/75/85/583277585.db2.gz LWSOARHSEGAAGS-UHFFFAOYSA-N 1 2 236.319 0.807 20 0 BCADLO Cc1nc(C)c(C(=O)NCc2[nH]c[nH+]c2C)[nH]1 ZINC000857142954 588890514 /nfs/dbraw/zinc/89/05/14/588890514.db2.gz CBNKTZFJKKBGEI-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO Cc1n[nH]c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1C ZINC000894094212 583299776 /nfs/dbraw/zinc/29/97/76/583299776.db2.gz JWYKVQUAKHNRNF-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1C ZINC000894094212 583299779 /nfs/dbraw/zinc/29/97/79/583299779.db2.gz JWYKVQUAKHNRNF-KCJUWKMLSA-N 1 2 239.319 0.608 20 0 BCADLO Cc1ncoc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000894096517 583300705 /nfs/dbraw/zinc/30/07/05/583300705.db2.gz VJTSJIPIPKLAQO-PSASIEDQSA-N 1 2 226.276 0.565 20 0 BCADLO Cc1ncoc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000894096517 583300707 /nfs/dbraw/zinc/30/07/07/583300707.db2.gz VJTSJIPIPKLAQO-PSASIEDQSA-N 1 2 226.276 0.565 20 0 BCADLO C[C@H](O)c1cccc(N[C@@H]2COC[C@H]2O)[nH+]1 ZINC000894097735 583302791 /nfs/dbraw/zinc/30/27/91/583302791.db2.gz CDGNWAXBCQODER-FXBDTBDDSA-N 1 2 224.260 0.307 20 0 BCADLO CC[C@H](Nc1cc(N(C)C)nc[nH+]1)C(=O)NC ZINC000894126823 583312500 /nfs/dbraw/zinc/31/25/00/583312500.db2.gz GTGKOMWVTHXOLT-QMMMGPOBSA-N 1 2 237.307 0.479 20 0 BCADLO CC[C@H](Nc1cc(N(C)C)[nH+]cn1)C(=O)NC ZINC000894126823 583312504 /nfs/dbraw/zinc/31/25/04/583312504.db2.gz GTGKOMWVTHXOLT-QMMMGPOBSA-N 1 2 237.307 0.479 20 0 BCADLO O=C(N[C@]12C[C@H]1COC2)c1ccc2[nH+]ccn2c1 ZINC000894186315 583333096 /nfs/dbraw/zinc/33/30/96/583333096.db2.gz BKTHLPHIXPKUSK-GWCFXTLKSA-N 1 2 243.266 0.853 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253374 583343792 /nfs/dbraw/zinc/34/37/92/583343792.db2.gz BFDRFYRYWLTVKV-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO CC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253374 583343794 /nfs/dbraw/zinc/34/37/94/583343794.db2.gz BFDRFYRYWLTVKV-WDEREUQCSA-N 1 2 243.351 0.805 20 0 BCADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878039617 583356278 /nfs/dbraw/zinc/35/62/78/583356278.db2.gz ACPXSDLTPXBXGV-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878039617 583356281 /nfs/dbraw/zinc/35/62/81/583356281.db2.gz ACPXSDLTPXBXGV-QWRGUYRKSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878039615 583356675 /nfs/dbraw/zinc/35/66/75/583356675.db2.gz ACPXSDLTPXBXGV-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878039615 583356677 /nfs/dbraw/zinc/35/66/77/583356677.db2.gz ACPXSDLTPXBXGV-GHMZBOCLSA-N 1 2 238.331 0.766 20 0 BCADLO CCCCCNC(=O)C[N@@H+]1CCCNC(=O)C1 ZINC000726845284 583378225 /nfs/dbraw/zinc/37/82/25/583378225.db2.gz GFEHKMFDMJEGDD-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO CCCCCNC(=O)C[N@H+]1CCCNC(=O)C1 ZINC000726845284 583378228 /nfs/dbraw/zinc/37/82/28/583378228.db2.gz GFEHKMFDMJEGDD-UHFFFAOYSA-N 1 2 241.335 0.115 20 0 BCADLO CC(C)(CO)ONC(=O)c1cccc2[nH+]ccn21 ZINC000857284424 588902934 /nfs/dbraw/zinc/90/29/34/588902934.db2.gz KVMHMTRKSLYWFZ-UHFFFAOYSA-N 1 2 249.270 0.767 20 0 BCADLO CCC(=O)N1CCC[N@H+](CN2CCC2=O)CC1 ZINC000857232367 588897551 /nfs/dbraw/zinc/89/75/51/588897551.db2.gz WINSRWPJVNSBDH-UHFFFAOYSA-N 1 2 239.319 0.121 20 0 BCADLO CCC(=O)N1CCC[N@@H+](CN2CCC2=O)CC1 ZINC000857232367 588897553 /nfs/dbraw/zinc/89/75/53/588897553.db2.gz WINSRWPJVNSBDH-UHFFFAOYSA-N 1 2 239.319 0.121 20 0 BCADLO CC[C@H]1C[N@H+](CN2CCC2=O)C[C@H](C)O1 ZINC000857232274 588897603 /nfs/dbraw/zinc/89/76/03/588897603.db2.gz ADGKJVSUDRGYIN-UWVGGRQHSA-N 1 2 212.293 0.676 20 0 BCADLO CC[C@H]1C[N@@H+](CN2CCC2=O)C[C@H](C)O1 ZINC000857232274 588897605 /nfs/dbraw/zinc/89/76/05/588897605.db2.gz ADGKJVSUDRGYIN-UWVGGRQHSA-N 1 2 212.293 0.676 20 0 BCADLO CC(C)C[C@@H]1COCC[N@@H+]1CN1CCC1=O ZINC000857232418 588897661 /nfs/dbraw/zinc/89/76/61/588897661.db2.gz CBZUXBWUSHXHDK-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)C[C@@H]1COCC[N@H+]1CN1CCC1=O ZINC000857232418 588897662 /nfs/dbraw/zinc/89/76/62/588897662.db2.gz CBZUXBWUSHXHDK-LLVKDONJSA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)(C)[C@H]1C[N@H+](CN2CCC2=O)CCO1 ZINC000857233344 588898333 /nfs/dbraw/zinc/89/83/33/588898333.db2.gz AUEWTYYBRQDHAS-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO CC(C)(C)[C@H]1C[N@@H+](CN2CCC2=O)CCO1 ZINC000857233344 588898334 /nfs/dbraw/zinc/89/83/34/588898334.db2.gz AUEWTYYBRQDHAS-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO C[C@H]1C[N@H+](CN2CCC2=O)C[C@@]2(CCOC2)O1 ZINC000857234584 588899121 /nfs/dbraw/zinc/89/91/21/588899121.db2.gz LXJUWTLHISPISB-CMPLNLGQSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@H]1C[N@@H+](CN2CCC2=O)C[C@@]2(CCOC2)O1 ZINC000857234584 588899123 /nfs/dbraw/zinc/89/91/23/588899123.db2.gz LXJUWTLHISPISB-CMPLNLGQSA-N 1 2 240.303 0.056 20 0 BCADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1CCC1=O ZINC000857234754 588899151 /nfs/dbraw/zinc/89/91/51/588899151.db2.gz MGWNWYFGJGBEIG-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1COC(C)(C)C[N@H+]1CN1CCC1=O ZINC000857234754 588899153 /nfs/dbraw/zinc/89/91/53/588899153.db2.gz MGWNWYFGJGBEIG-VIFPVBQESA-N 1 2 212.293 0.676 20 0 BCADLO C[N@H+](CCc1cnccn1)CN1CCC1=O ZINC000857234276 588899212 /nfs/dbraw/zinc/89/92/12/588899212.db2.gz OZJGMIUWXSZYAL-UHFFFAOYSA-N 1 2 220.276 0.141 20 0 BCADLO C[N@@H+](CCc1cnccn1)CN1CCC1=O ZINC000857234276 588899214 /nfs/dbraw/zinc/89/92/14/588899214.db2.gz OZJGMIUWXSZYAL-UHFFFAOYSA-N 1 2 220.276 0.141 20 0 BCADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CN1CCC1=O ZINC000857236041 588899734 /nfs/dbraw/zinc/89/97/34/588899734.db2.gz WYIMHYRRXVFWGC-NSHDSACASA-N 1 2 248.330 0.919 20 0 BCADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CN1CCC1=O ZINC000857236041 588899735 /nfs/dbraw/zinc/89/97/35/588899735.db2.gz WYIMHYRRXVFWGC-NSHDSACASA-N 1 2 248.330 0.919 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CC(=O)N(C)C1 ZINC000894433409 583458901 /nfs/dbraw/zinc/45/89/01/583458901.db2.gz MAGVURUCYPPSQN-UHFFFAOYSA-N 1 2 220.276 0.204 20 0 BCADLO Cn1ncc(C[NH2+]Cc2cn3ccnc3s2)n1 ZINC000894439766 583460275 /nfs/dbraw/zinc/46/02/75/583460275.db2.gz LYPPBWNDYJHGON-UHFFFAOYSA-N 1 2 248.315 0.814 20 0 BCADLO Cc1cc[nH+]c(N)c1CN1CCn2ncnc2C1 ZINC000894484978 583470523 /nfs/dbraw/zinc/47/05/23/583470523.db2.gz VRCJVHJRKJHGAC-UHFFFAOYSA-N 1 2 244.302 0.580 20 0 BCADLO CNc1cc(N2CC[C@H](O)C(F)(F)C2)nc[nH+]1 ZINC000894523282 583477804 /nfs/dbraw/zinc/47/78/04/583477804.db2.gz DUNRTTDUSSUWAF-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2CC[C@H](O)C(F)(F)C2)[nH+]cn1 ZINC000894523282 583477807 /nfs/dbraw/zinc/47/78/07/583477807.db2.gz DUNRTTDUSSUWAF-ZETCQYMHSA-N 1 2 244.245 0.725 20 0 BCADLO Cc1[nH]nc(C[N@H+]2C[C@H](O)C[C@H]2C)c1C ZINC000894539809 583480521 /nfs/dbraw/zinc/48/05/21/583480521.db2.gz WSDQIDYYRGEODC-GMSGAONNSA-N 1 2 209.293 0.982 20 0 BCADLO Cc1[nH]nc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1C ZINC000894539809 583480523 /nfs/dbraw/zinc/48/05/23/583480523.db2.gz WSDQIDYYRGEODC-GMSGAONNSA-N 1 2 209.293 0.982 20 0 BCADLO CC[N@H+](CC(N)=O)Cc1cnc2onc(C)c2c1 ZINC000894540969 583480756 /nfs/dbraw/zinc/48/07/56/583480756.db2.gz NHNBBIRFYWRLDA-UHFFFAOYSA-N 1 2 248.286 0.838 20 0 BCADLO CC[N@@H+](CC(N)=O)Cc1cnc2onc(C)c2c1 ZINC000894540969 583480757 /nfs/dbraw/zinc/48/07/57/583480757.db2.gz NHNBBIRFYWRLDA-UHFFFAOYSA-N 1 2 248.286 0.838 20 0 BCADLO CNc1cc(N2CCC[C@@H]2[C@@H](C)O)nc[nH+]1 ZINC000894572524 583485673 /nfs/dbraw/zinc/48/56/73/583485673.db2.gz KWWPEYCAUYCQHS-RKDXNWHRSA-N 1 2 222.292 0.868 20 0 BCADLO CNc1cc(N2CCC[C@@H]2[C@@H](C)O)[nH+]cn1 ZINC000894572524 583485676 /nfs/dbraw/zinc/48/56/76/583485676.db2.gz KWWPEYCAUYCQHS-RKDXNWHRSA-N 1 2 222.292 0.868 20 0 BCADLO CN(C)c1cc(NCc2ncccn2)[nH+]cn1 ZINC000894594888 583493298 /nfs/dbraw/zinc/49/32/98/583493298.db2.gz VPYLEXUENNOOHP-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO CN(C)c1cc(NCc2ncccn2)nc[nH+]1 ZINC000894594888 583493299 /nfs/dbraw/zinc/49/32/99/583493299.db2.gz VPYLEXUENNOOHP-UHFFFAOYSA-N 1 2 230.275 0.945 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1C ZINC000894678487 583505354 /nfs/dbraw/zinc/50/53/54/583505354.db2.gz DICWAZOJDDSURO-PHIMTYICSA-N 1 2 237.303 0.626 20 0 BCADLO Cc1n[nH]c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1C ZINC000894678487 583505355 /nfs/dbraw/zinc/50/53/55/583505355.db2.gz DICWAZOJDDSURO-PHIMTYICSA-N 1 2 237.303 0.626 20 0 BCADLO Cc1ncoc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000894686672 583506918 /nfs/dbraw/zinc/50/69/18/583506918.db2.gz WHHYLJAWSLFDOD-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1ncoc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000894686672 583506920 /nfs/dbraw/zinc/50/69/20/583506920.db2.gz WHHYLJAWSLFDOD-JTQLQIEISA-N 1 2 214.240 0.889 20 0 BCADLO Cc1n[nH]c(C[N@H+]2CCNC(=O)C[C@H]2C)c1C ZINC000894781313 583520469 /nfs/dbraw/zinc/52/04/69/583520469.db2.gz GIUKWMJLEAYTPA-MRVPVSSYSA-N 1 2 236.319 0.737 20 0 BCADLO Cc1n[nH]c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1C ZINC000894781313 583520470 /nfs/dbraw/zinc/52/04/70/583520470.db2.gz GIUKWMJLEAYTPA-MRVPVSSYSA-N 1 2 236.319 0.737 20 0 BCADLO COC(=O)[C@@H]1[C@H](C[NH+]2CC(C)(OC)C2)C1(F)F ZINC000894781472 583520585 /nfs/dbraw/zinc/52/05/85/583520585.db2.gz PUJHVAOQFQBJEO-YUMQZZPRSA-N 1 2 249.257 0.761 20 0 BCADLO C[C@H]1CC[C@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806038 583522771 /nfs/dbraw/zinc/52/27/71/583522771.db2.gz JEBNBAAERIGGPL-WCBMZHEXSA-N 1 2 222.292 0.385 20 0 BCADLO C[C@H]1CC[C@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806038 583522772 /nfs/dbraw/zinc/52/27/72/583522772.db2.gz JEBNBAAERIGGPL-WCBMZHEXSA-N 1 2 222.292 0.385 20 0 BCADLO CCC(CC)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894807505 583523259 /nfs/dbraw/zinc/52/32/59/583523259.db2.gz WRBUBVKLIWBMEI-UHFFFAOYSA-N 1 2 224.308 0.775 20 0 BCADLO CCC(CC)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894807505 583523260 /nfs/dbraw/zinc/52/32/60/583523260.db2.gz WRBUBVKLIWBMEI-UHFFFAOYSA-N 1 2 224.308 0.775 20 0 BCADLO OCc1nnn2c1C[N@@H+]([C@H]1CC[C@@H]1C1CC1)CC2 ZINC000894811204 583523662 /nfs/dbraw/zinc/52/36/62/583523662.db2.gz WIHVTHWEIKRXHQ-PWSUYJOCSA-N 1 2 248.330 0.775 20 0 BCADLO OCc1nnn2c1C[N@H+]([C@H]1CC[C@@H]1C1CC1)CC2 ZINC000894811204 583523663 /nfs/dbraw/zinc/52/36/63/583523663.db2.gz WIHVTHWEIKRXHQ-PWSUYJOCSA-N 1 2 248.330 0.775 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)N(C)OC)nc[nH+]1 ZINC000894815516 583524373 /nfs/dbraw/zinc/52/43/73/583524373.db2.gz NYWILWRPULIGLW-ZETCQYMHSA-N 1 2 239.279 0.339 20 0 BCADLO CNc1cc(N[C@@H](C)C(=O)N(C)OC)[nH+]cn1 ZINC000894815516 583524374 /nfs/dbraw/zinc/52/43/74/583524374.db2.gz NYWILWRPULIGLW-ZETCQYMHSA-N 1 2 239.279 0.339 20 0 BCADLO CNc1cc(N[C@H](C)C(=O)N(C)OC)nc[nH+]1 ZINC000894819648 583524919 /nfs/dbraw/zinc/52/49/19/583524919.db2.gz NYWILWRPULIGLW-SSDOTTSWSA-N 1 2 239.279 0.339 20 0 BCADLO CNc1cc(N[C@H](C)C(=O)N(C)OC)[nH+]cn1 ZINC000894819648 583524922 /nfs/dbraw/zinc/52/49/22/583524922.db2.gz NYWILWRPULIGLW-SSDOTTSWSA-N 1 2 239.279 0.339 20 0 BCADLO O=C1OC[C@@H]2CN(c3nccn4c[nH+]cc34)C[C@H]12 ZINC000894825348 583526820 /nfs/dbraw/zinc/52/68/20/583526820.db2.gz MFMWRVBQSZADQT-IUCAKERBSA-N 1 2 244.254 0.339 20 0 BCADLO C[N@@H+]1CCN(c2ncc(Cl)s2)C[C@@H]1CO ZINC000894880146 583543452 /nfs/dbraw/zinc/54/34/52/583543452.db2.gz AOCGNHOIOFNWOI-SSDOTTSWSA-N 1 2 247.751 0.909 20 0 BCADLO C[N@H+]1CCN(c2ncc(Cl)s2)C[C@@H]1CO ZINC000894880146 583543454 /nfs/dbraw/zinc/54/34/54/583543454.db2.gz AOCGNHOIOFNWOI-SSDOTTSWSA-N 1 2 247.751 0.909 20 0 BCADLO COC(=O)c1ccc(C[N@@H+]2CC=C[C@@H]2CO)o1 ZINC000880485097 583543594 /nfs/dbraw/zinc/54/35/94/583543594.db2.gz WROFRDFWENKUDQ-SECBINFHSA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1ccc(C[N@H+]2CC=C[C@@H]2CO)o1 ZINC000880485097 583543595 /nfs/dbraw/zinc/54/35/95/583543595.db2.gz WROFRDFWENKUDQ-SECBINFHSA-N 1 2 237.255 0.799 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@H](CF)C2)O1 ZINC000894887711 583547085 /nfs/dbraw/zinc/54/70/85/583547085.db2.gz JTWKPPCAAZZEGJ-ZJUUUORDSA-N 1 2 233.283 0.808 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@H](CF)C2)O1 ZINC000894887711 583547086 /nfs/dbraw/zinc/54/70/86/583547086.db2.gz JTWKPPCAAZZEGJ-ZJUUUORDSA-N 1 2 233.283 0.808 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2ncncc2C1)C(F)(F)F ZINC000880597580 583548257 /nfs/dbraw/zinc/54/82/57/583548257.db2.gz ZUFBWSALDXLSIE-VIFPVBQESA-N 1 2 247.220 0.758 20 0 BCADLO O[C@@H](C[N@H+]1CCc2ncncc2C1)C(F)(F)F ZINC000880597580 583548258 /nfs/dbraw/zinc/54/82/58/583548258.db2.gz ZUFBWSALDXLSIE-VIFPVBQESA-N 1 2 247.220 0.758 20 0 BCADLO O=C(NC1CSC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000880728989 583548767 /nfs/dbraw/zinc/54/87/67/583548767.db2.gz CWRDOYJGRYIFHI-MRVPVSSYSA-N 1 2 237.328 0.677 20 0 BCADLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000894943490 583557333 /nfs/dbraw/zinc/55/73/33/583557333.db2.gz KYKHIWVEQMWBSO-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO COc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000894943490 583557334 /nfs/dbraw/zinc/55/73/34/583557334.db2.gz KYKHIWVEQMWBSO-MWLCHTKSSA-N 1 2 241.287 0.870 20 0 BCADLO Cn1c[nH+]c(CNC(=O)NOC/C=C/Cl)c1 ZINC000894990815 583563892 /nfs/dbraw/zinc/56/38/92/583563892.db2.gz HJFTYOJVJYPINC-NSCUHMNNSA-N 1 2 244.682 0.903 20 0 BCADLO Cc1nccnc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895121865 583596287 /nfs/dbraw/zinc/59/62/87/583596287.db2.gz RVRJBXVNOPSRKT-FBIMIBRVSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1nccnc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895121865 583596289 /nfs/dbraw/zinc/59/62/89/583596289.db2.gz RVRJBXVNOPSRKT-FBIMIBRVSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1nccnc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895121873 583596562 /nfs/dbraw/zinc/59/65/62/583596562.db2.gz RVRJBXVNOPSRKT-JMJZKYOTSA-N 1 2 248.330 0.882 20 0 BCADLO Cc1nccnc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895121873 583596564 /nfs/dbraw/zinc/59/65/64/583596564.db2.gz RVRJBXVNOPSRKT-JMJZKYOTSA-N 1 2 248.330 0.882 20 0 BCADLO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1n[nH]c(=O)n1C ZINC000895177756 583616181 /nfs/dbraw/zinc/61/61/81/583616181.db2.gz XJCBMCWCEZNMRS-CSMHCCOUSA-N 1 2 242.348 0.923 20 0 BCADLO C[C@H]([NH2+][C@@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179363 583617172 /nfs/dbraw/zinc/61/71/72/583617172.db2.gz HRGUWWLUZQCJAA-NKWVEPMBSA-N 1 2 228.321 0.677 20 0 BCADLO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1n[nH]c(=O)n1C ZINC000895194635 583622194 /nfs/dbraw/zinc/62/21/94/583622194.db2.gz GQEHZKYCXKJXJL-SSDOTTSWSA-N 1 2 249.274 0.472 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000882708720 583629499 /nfs/dbraw/zinc/62/94/99/583629499.db2.gz RWVKGCXRPAPDFA-ZJUUUORDSA-N 1 2 237.303 0.714 20 0 BCADLO CCn1nc(C)c(C[NH2+]C[C@@H]2CC(C)=NO2)n1 ZINC000895305233 583643456 /nfs/dbraw/zinc/64/34/56/583643456.db2.gz PYTWFEZJUZHTMK-JTQLQIEISA-N 1 2 237.307 0.861 20 0 BCADLO O=C1NCCC[C@H]1[N@@H+]1Cc2ccncc2C1 ZINC000857877653 588918632 /nfs/dbraw/zinc/91/86/32/588918632.db2.gz HNZSVSAZIOVXSH-LLVKDONJSA-N 1 2 217.272 0.676 20 0 BCADLO O=C1NCCC[C@H]1[N@H+]1Cc2ccncc2C1 ZINC000857877653 588918634 /nfs/dbraw/zinc/91/86/34/588918634.db2.gz HNZSVSAZIOVXSH-LLVKDONJSA-N 1 2 217.272 0.676 20 0 BCADLO Cc1[nH]c(CN2C[C@H](O)C[C@]2(C)CO)[nH+]c1C ZINC000895326618 583651665 /nfs/dbraw/zinc/65/16/65/583651665.db2.gz YSLNHKWVNMMICV-ZYHUDNBSSA-N 1 2 239.319 0.344 20 0 BCADLO Cc1coc(C[N@H+]2CCN(C)C[C@H]2CO)c1 ZINC000895357860 583657743 /nfs/dbraw/zinc/65/77/43/583657743.db2.gz MVNQOMZUIBYBPV-NSHDSACASA-N 1 2 224.304 0.696 20 0 BCADLO Cc1coc(C[N@@H+]2CCN(C)C[C@H]2CO)c1 ZINC000895357860 583657744 /nfs/dbraw/zinc/65/77/44/583657744.db2.gz MVNQOMZUIBYBPV-NSHDSACASA-N 1 2 224.304 0.696 20 0 BCADLO CCn1cc(C[NH2+]Cc2ccc(OC)cn2)nn1 ZINC000895357726 583657986 /nfs/dbraw/zinc/65/79/86/583657986.db2.gz IZLFZEFGKNHVDA-UHFFFAOYSA-N 1 2 247.302 0.991 20 0 BCADLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(C)o1 ZINC000895369008 583660966 /nfs/dbraw/zinc/66/09/66/583660966.db2.gz ZMFGEZZYSAHCLO-MNOVXSKESA-N 1 2 238.287 0.317 20 0 BCADLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(C)o1 ZINC000895369008 583660967 /nfs/dbraw/zinc/66/09/67/583660967.db2.gz ZMFGEZZYSAHCLO-MNOVXSKESA-N 1 2 238.287 0.317 20 0 BCADLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895367232 583661115 /nfs/dbraw/zinc/66/11/15/583661115.db2.gz BTZLNCSIXAQRDO-SCZZXKLOSA-N 1 2 224.260 0.009 20 0 BCADLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895367232 583661117 /nfs/dbraw/zinc/66/11/17/583661117.db2.gz BTZLNCSIXAQRDO-SCZZXKLOSA-N 1 2 224.260 0.009 20 0 BCADLO CC(C)c1c[nH]c(C[NH+](CCO)CCO)n1 ZINC000895387845 583663533 /nfs/dbraw/zinc/66/35/33/583663533.db2.gz DZRBBCQDUHZGHM-UHFFFAOYSA-N 1 2 227.308 0.320 20 0 BCADLO CCn1c[nH+]cc1CN(C)C1CS(=O)(=O)C1 ZINC000895399891 583666016 /nfs/dbraw/zinc/66/60/16/583666016.db2.gz WYKQYIMOWLWXEW-UHFFFAOYSA-N 1 2 243.332 0.132 20 0 BCADLO CO[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886747 588920594 /nfs/dbraw/zinc/92/05/94/588920594.db2.gz COTFMAQCBFJNDI-RKDXNWHRSA-N 1 2 223.276 0.349 20 0 BCADLO O=C(C[C@H]1CCCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885183 588920670 /nfs/dbraw/zinc/92/06/70/588920670.db2.gz LMOHDJBZHIAHGI-GHMZBOCLSA-N 1 2 249.314 0.741 20 0 BCADLO CC(C)[C@H](F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887927 588920970 /nfs/dbraw/zinc/92/09/70/588920970.db2.gz WNKJHXKIPALYFR-WPRPVWTQSA-N 1 2 225.267 0.918 20 0 BCADLO CC(C)[C@@H](F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887924 588921363 /nfs/dbraw/zinc/92/13/63/588921363.db2.gz WNKJHXKIPALYFR-PSASIEDQSA-N 1 2 225.267 0.918 20 0 BCADLO C/C=C(/C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890560 588921381 /nfs/dbraw/zinc/92/13/81/588921381.db2.gz XQHZFDRKUXKJTL-PTDYZRSTSA-N 1 2 205.261 0.890 20 0 BCADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cnc1F ZINC000895533498 583685466 /nfs/dbraw/zinc/68/54/66/583685466.db2.gz QZHMXVOAZJCCFQ-UHFFFAOYSA-N 1 2 221.239 0.937 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)NCc2cn(C)c[nH+]2)CO1 ZINC000895524221 583686390 /nfs/dbraw/zinc/68/63/90/583686390.db2.gz HSFXBSPYDZEBAE-BDAKNGLRSA-N 1 2 238.291 0.397 20 0 BCADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccnnc1 ZINC000857887994 588921483 /nfs/dbraw/zinc/92/14/83/588921483.db2.gz AJGRIQVZOLKMRX-SECBINFHSA-N 1 2 229.243 0.028 20 0 BCADLO CC(C)=CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857892730 588921715 /nfs/dbraw/zinc/92/17/15/588921715.db2.gz FHXMQLPUEIHVBM-SECBINFHSA-N 1 2 205.261 0.890 20 0 BCADLO COc1cnc(F)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895645382 583700823 /nfs/dbraw/zinc/70/08/23/583700823.db2.gz PYNKRJWKHRUUTF-BXKDBHETSA-N 1 2 238.262 0.796 20 0 BCADLO COc1cnc(F)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895645382 583700824 /nfs/dbraw/zinc/70/08/24/583700824.db2.gz PYNKRJWKHRUUTF-BXKDBHETSA-N 1 2 238.262 0.796 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000895654225 583701423 /nfs/dbraw/zinc/70/14/23/583701423.db2.gz QFEMOROZEGAHQJ-WPRPVWTQSA-N 1 2 227.695 0.640 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC000895654225 583701424 /nfs/dbraw/zinc/70/14/24/583701424.db2.gz QFEMOROZEGAHQJ-WPRPVWTQSA-N 1 2 227.695 0.640 20 0 BCADLO COCc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000895656087 583701693 /nfs/dbraw/zinc/70/16/93/583701693.db2.gz YBMMFBNMVZSACL-LDYMZIIASA-N 1 2 224.260 0.388 20 0 BCADLO COCc1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000895656087 583701696 /nfs/dbraw/zinc/70/16/96/583701696.db2.gz YBMMFBNMVZSACL-LDYMZIIASA-N 1 2 224.260 0.388 20 0 BCADLO FC(F)c1noc(C[NH2+][C@H]2CCOC2)n1 ZINC000895727448 583713482 /nfs/dbraw/zinc/71/34/82/583713482.db2.gz SSCNSYYGDLIFBV-YFKPBYRVSA-N 1 2 219.191 0.886 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC[C@H]1CCO1)[C@@H](C)O ZINC000895744007 583715818 /nfs/dbraw/zinc/71/58/18/583715818.db2.gz SJTQHBJPLHNRIK-UTLUCORTSA-N 1 2 231.292 0.068 20 0 BCADLO CC[C@@H](C)[C@@H](C[NH2+][C@H](C(=O)OC)[C@@H](C)O)OC ZINC000895743717 583715929 /nfs/dbraw/zinc/71/59/29/583715929.db2.gz LUNSVQAEVSPPMC-DBIOUOCHSA-N 1 2 247.335 0.560 20 0 BCADLO CC[C@H]1CC[C@@H]1[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000895743411 583715975 /nfs/dbraw/zinc/71/59/75/583715975.db2.gz HUCSAEFZBZYSRS-KATARQTJSA-N 1 2 215.293 0.687 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC[C@@H]1CCO1)[C@@H](C)O ZINC000895744005 583715999 /nfs/dbraw/zinc/71/59/99/583715999.db2.gz SJTQHBJPLHNRIK-BBBLOLIVSA-N 1 2 231.292 0.068 20 0 BCADLO O=C(CC1(O)CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942192 588924507 /nfs/dbraw/zinc/92/45/07/588924507.db2.gz VJGAQWMSAWIESC-JTQLQIEISA-N 1 2 249.314 0.619 20 0 BCADLO Cc1cc[nH+]c(N)c1CN[C@H]1CCOC1=O ZINC000895808848 583729988 /nfs/dbraw/zinc/72/99/88/583729988.db2.gz UNRRAOAOUBNCPX-VIFPVBQESA-N 1 2 221.260 0.377 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000895801534 583730964 /nfs/dbraw/zinc/73/09/64/583730964.db2.gz KFHCSHCCTACBAT-YUMQZZPRSA-N 1 2 201.291 0.787 20 0 BCADLO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCOC1=O ZINC000895803319 583731558 /nfs/dbraw/zinc/73/15/58/583731558.db2.gz GTHAWWJYPDQKPK-UWVGGRQHSA-N 1 2 223.276 0.567 20 0 BCADLO CC(C)OC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC000895806525 583732182 /nfs/dbraw/zinc/73/21/82/583732182.db2.gz AGJNLCKLNPXGGA-IUCAKERBSA-N 1 2 201.266 0.705 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCOC1=O)[C@@H]1CCCCO1 ZINC000895807997 583732472 /nfs/dbraw/zinc/73/24/72/583732472.db2.gz GHQSMZONNLQOID-UTLUCORTSA-N 1 2 213.277 0.849 20 0 BCADLO C[C@@H]1CC2(CC([NH2+][C@H]3CCOC3=O)C2)CO1 ZINC000895811870 583733200 /nfs/dbraw/zinc/73/32/00/583733200.db2.gz JVFJHNXKDIGLBJ-HUXNSBQSSA-N 1 2 225.288 0.849 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cnco1 ZINC000857980822 588925594 /nfs/dbraw/zinc/92/55/94/588925594.db2.gz QQPJACMTCREEEA-ZETCQYMHSA-N 1 2 218.216 0.746 20 0 BCADLO C[C@@H]1COC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000895911889 583745911 /nfs/dbraw/zinc/74/59/11/583745911.db2.gz ZMTHTPLPYPXFEN-HTRCEHHLSA-N 1 2 248.290 0.392 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](Cc2cnccn2)[C@@H](C)C(=O)N1C ZINC000895922303 583746700 /nfs/dbraw/zinc/74/67/00/583746700.db2.gz RCURUFHFSCTOCO-VWYCJHECSA-N 1 2 248.330 0.916 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cnccn2)[C@@H](C)C(=O)N1C ZINC000895922303 583746702 /nfs/dbraw/zinc/74/67/02/583746702.db2.gz RCURUFHFSCTOCO-VWYCJHECSA-N 1 2 248.330 0.916 20 0 BCADLO CCCOc1cc[nH+]c(N2CCOCN2)n1 ZINC000895925579 583747754 /nfs/dbraw/zinc/74/77/54/583747754.db2.gz FDQCCCVGOYOOLW-UHFFFAOYSA-N 1 2 224.264 0.564 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)O1 ZINC000335813128 583749335 /nfs/dbraw/zinc/74/93/35/583749335.db2.gz DTRUSIIZEFTCAS-SCZZXKLOSA-N 1 2 223.276 0.604 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H](O)C1CC1 ZINC000857978024 588926559 /nfs/dbraw/zinc/92/65/59/588926559.db2.gz AUTAGMWARZZONE-WCBMZHEXSA-N 1 2 221.260 0.215 20 0 BCADLO CO[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000895964880 583754015 /nfs/dbraw/zinc/75/40/15/583754015.db2.gz ZKNHHFVOUPROTI-LLVKDONJSA-N 1 2 224.260 0.592 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000895964880 583754016 /nfs/dbraw/zinc/75/40/16/583754016.db2.gz ZKNHHFVOUPROTI-LLVKDONJSA-N 1 2 224.260 0.592 20 0 BCADLO Cn1cc[nH+]c1CN[C@H]1CS(=O)(=O)C1(C)C ZINC000895977517 583757668 /nfs/dbraw/zinc/75/76/68/583757668.db2.gz HBLBZIGGJYSJDF-QMMMGPOBSA-N 1 2 243.332 0.085 20 0 BCADLO Cn1ccnc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895977517 583757669 /nfs/dbraw/zinc/75/76/69/583757669.db2.gz HBLBZIGGJYSJDF-QMMMGPOBSA-N 1 2 243.332 0.085 20 0 BCADLO CO[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978524 588926940 /nfs/dbraw/zinc/92/69/40/588926940.db2.gz HPWGLURLQOORGX-GXSJLCMTSA-N 1 2 235.287 0.869 20 0 BCADLO Cc1nnc(C(=O)N[C@@H]2CCn3c[nH+]cc32)s1 ZINC000857977378 588927010 /nfs/dbraw/zinc/92/70/10/588927010.db2.gz DBCLBLJYEHUJFA-SSDOTTSWSA-N 1 2 249.299 0.918 20 0 BCADLO COC(=O)C1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857981036 588927517 /nfs/dbraw/zinc/92/75/17/588927517.db2.gz WDVIBWKQUPFODG-QMMMGPOBSA-N 1 2 249.270 0.397 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCO1 ZINC000857979819 588927624 /nfs/dbraw/zinc/92/76/24/588927624.db2.gz FPLIDFARGXHTIQ-WCBMZHEXSA-N 1 2 221.260 0.623 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cncc(O)c1 ZINC000857981416 588928043 /nfs/dbraw/zinc/92/80/43/588928043.db2.gz DHMPOYHJQMQJRX-JTQLQIEISA-N 1 2 244.254 0.859 20 0 BCADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)COC1 ZINC000857982783 588928076 /nfs/dbraw/zinc/92/80/76/588928076.db2.gz RYGYTJCXTCNEOL-MRVPVSSYSA-N 1 2 221.260 0.481 20 0 BCADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(F)F ZINC000857981806 588928106 /nfs/dbraw/zinc/92/81/06/588928106.db2.gz JGCOZTUOIXZRHN-YFKPBYRVSA-N 1 2 201.176 0.709 20 0 BCADLO COc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)on1 ZINC000857981797 588928214 /nfs/dbraw/zinc/92/82/14/588928214.db2.gz JFADZEDHIGDCPB-SSDOTTSWSA-N 1 2 248.242 0.755 20 0 BCADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)n1cccn1 ZINC000857984990 588928371 /nfs/dbraw/zinc/92/83/71/588928371.db2.gz GUBSXUNNQFYOPD-NXEZZACHSA-N 1 2 245.286 0.902 20 0 BCADLO Cc1cnn(CC(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857984987 588928800 /nfs/dbraw/zinc/92/88/00/588928800.db2.gz GTEWYNMUUOGARN-SNVBAGLBSA-N 1 2 245.286 0.649 20 0 BCADLO Cc1nonc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986714 588929081 /nfs/dbraw/zinc/92/90/81/588929081.db2.gz PHCFZEVPEBSVCK-ZETCQYMHSA-N 1 2 233.231 0.449 20 0 BCADLO Cc1nnsc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857988237 588929370 /nfs/dbraw/zinc/92/93/70/588929370.db2.gz HGLODWGRRAQRJC-ZETCQYMHSA-N 1 2 249.299 0.918 20 0 BCADLO Nc1nccnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985953 588929451 /nfs/dbraw/zinc/92/94/51/588929451.db2.gz MPXKNXAEWICVCR-ZETCQYMHSA-N 1 2 244.258 0.130 20 0 BCADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]n1 ZINC000857986764 588929543 /nfs/dbraw/zinc/92/95/43/588929543.db2.gz SIYDPCDCRRPNMD-MRVPVSSYSA-N 1 2 231.259 0.789 20 0 BCADLO Cc1cn(C(C)(C)C(=O)NCc2ncc[nH]2)c[nH+]1 ZINC000896305013 583789526 /nfs/dbraw/zinc/78/95/26/583789526.db2.gz OZYSUUKSUNLLED-UHFFFAOYSA-N 1 2 247.302 0.966 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000896358392 583796239 /nfs/dbraw/zinc/79/62/39/583796239.db2.gz UWBZOQUTKCVQAP-GXSJLCMTSA-N 1 2 235.287 0.691 20 0 BCADLO NS(=O)(=O)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000896395658 583799219 /nfs/dbraw/zinc/79/92/19/583799219.db2.gz VBTXEEGCLGNDTM-SECBINFHSA-N 1 2 241.316 0.196 20 0 BCADLO CNC(=O)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998673 588930562 /nfs/dbraw/zinc/93/05/62/588930562.db2.gz FRLDKPVAOSCRAU-UHFFFAOYSA-N 1 2 248.286 0.285 20 0 BCADLO CCOCCOCCNc1nc(N)nc(C)[nH+]1 ZINC000896481129 583805532 /nfs/dbraw/zinc/80/55/32/583805532.db2.gz LBTUZCJSJASCPL-UHFFFAOYSA-N 1 2 241.295 0.227 20 0 BCADLO CCOCCOCCNc1nc(C)[nH+]c(N)n1 ZINC000896481129 583805530 /nfs/dbraw/zinc/80/55/30/583805530.db2.gz LBTUZCJSJASCPL-UHFFFAOYSA-N 1 2 241.295 0.227 20 0 BCADLO CO[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCSC1 ZINC000896497932 583806992 /nfs/dbraw/zinc/80/69/92/583806992.db2.gz SJKIILDLJGHHLE-SNVBAGLBSA-N 1 2 241.316 0.548 20 0 BCADLO CO[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCSC1 ZINC000896497932 583806995 /nfs/dbraw/zinc/80/69/95/583806995.db2.gz SJKIILDLJGHHLE-SNVBAGLBSA-N 1 2 241.316 0.548 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896550039 583810382 /nfs/dbraw/zinc/81/03/82/583810382.db2.gz WYKMYBFBFBODJE-FIQHERPVSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896550039 583810384 /nfs/dbraw/zinc/81/03/84/583810384.db2.gz WYKMYBFBFBODJE-FIQHERPVSA-N 1 2 239.363 0.393 20 0 BCADLO C[C@H](NC(=O)C1(C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557513 583812643 /nfs/dbraw/zinc/81/26/43/583812643.db2.gz VABXCZBRURZAFY-QWRGUYRKSA-N 1 2 239.363 0.537 20 0 BCADLO C[C@H](NC(=O)C1(C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557513 583812646 /nfs/dbraw/zinc/81/26/46/583812646.db2.gz VABXCZBRURZAFY-QWRGUYRKSA-N 1 2 239.363 0.537 20 0 BCADLO CCc1nc(NC[C@@H](O)c2ccnn2C)cc[nH+]1 ZINC000896625946 583818251 /nfs/dbraw/zinc/81/82/51/583818251.db2.gz WKJXACRAVNQVCP-SNVBAGLBSA-N 1 2 247.302 0.918 20 0 BCADLO CNc1cc(N[C@H]2C[C@H](CO)C2)[nH+]cn1 ZINC000896695636 583824454 /nfs/dbraw/zinc/82/44/54/583824454.db2.gz YBVSUVPSNJHHRZ-ZKCHVHJHSA-N 1 2 208.265 0.701 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ncccc2N)[nH+]c1C ZINC000896906917 583851252 /nfs/dbraw/zinc/85/12/52/583851252.db2.gz XMWZORCECJWWIB-UHFFFAOYSA-N 1 2 245.286 0.934 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@@H]2CCCO2)[nH+]c1C ZINC000896912595 583853624 /nfs/dbraw/zinc/85/36/24/583853624.db2.gz BFOUTDDQDLTLJU-VIFPVBQESA-N 1 2 223.276 0.822 20 0 BCADLO Cc1[nH]c(CNC(=O)c2ccon2)[nH+]c1C ZINC000896924356 583857596 /nfs/dbraw/zinc/85/75/96/583857596.db2.gz YCAUJYGDQFMOFO-UHFFFAOYSA-N 1 2 220.232 0.945 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC000896920052 583857825 /nfs/dbraw/zinc/85/78/25/583857825.db2.gz GQGPKDBBTKVSPG-UHFFFAOYSA-N 1 2 233.275 0.988 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnns2)[nH+]c1C ZINC000896923375 583858412 /nfs/dbraw/zinc/85/84/12/583858412.db2.gz JQJFVDJIOUJTRE-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO Cc1[nH]c(CNC(=O)c2cnsn2)[nH+]c1C ZINC000896923685 583858507 /nfs/dbraw/zinc/85/85/07/583858507.db2.gz NXMYMZPYRWHQPG-UHFFFAOYSA-N 1 2 237.288 0.808 20 0 BCADLO CONC(=O)C[NH2+][C@H](C)CCC(F)(F)F ZINC000896927041 583858537 /nfs/dbraw/zinc/85/85/37/583858537.db2.gz OMXUPBUGPZNKCJ-ZCFIWIBFSA-N 1 2 228.214 0.985 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)CCc1ccco1 ZINC000896928213 583859124 /nfs/dbraw/zinc/85/91/24/583859124.db2.gz XUQVMBGBFQGGBP-VIFPVBQESA-N 1 2 226.276 0.868 20 0 BCADLO CONC(=O)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000896927370 583859272 /nfs/dbraw/zinc/85/92/72/583859272.db2.gz QZTSUEISKYLZSR-QMMMGPOBSA-N 1 2 228.317 0.946 20 0 BCADLO CCNC(=O)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796542860 583860357 /nfs/dbraw/zinc/86/03/57/583860357.db2.gz JXARXYCAYPADCY-UHFFFAOYSA-N 1 2 249.261 0.563 20 0 BCADLO Cc1[nH+]cnc(N2CC3(C2)CCNC(=O)O3)c1C ZINC000897000303 583869268 /nfs/dbraw/zinc/86/92/68/583869268.db2.gz VPVCLENWMRFEOB-UHFFFAOYSA-N 1 2 248.286 0.782 20 0 BCADLO OC[C@@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000897119750 583882283 /nfs/dbraw/zinc/88/22/83/583882283.db2.gz HYXRIEAEDLLUNZ-VIFPVBQESA-N 1 2 205.261 0.925 20 0 BCADLO COc1ccc[nH+]c1NCCCc1nnnn1C ZINC000897250873 583903203 /nfs/dbraw/zinc/90/32/03/583903203.db2.gz FTBBKYPZKHKKOK-UHFFFAOYSA-N 1 2 248.290 0.658 20 0 BCADLO CCc1cc(NCCCc2nnnn2C)nc[nH+]1 ZINC000897251507 583903401 /nfs/dbraw/zinc/90/34/01/583903401.db2.gz SIMZHSAPUAZUFI-UHFFFAOYSA-N 1 2 247.306 0.607 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000867549549 583919574 /nfs/dbraw/zinc/91/95/74/583919574.db2.gz PLUKHYJCBKTSKZ-ZQJWYQMXSA-N 1 2 244.310 0.775 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000867549549 583919577 /nfs/dbraw/zinc/91/95/77/583919577.db2.gz PLUKHYJCBKTSKZ-ZQJWYQMXSA-N 1 2 244.310 0.775 20 0 BCADLO Cc1csc(CNCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000858297884 588942721 /nfs/dbraw/zinc/94/27/21/588942721.db2.gz KSPNRUBCGUBPMU-SNVBAGLBSA-N 1 2 241.360 0.608 20 0 BCADLO Cc1csc(CNCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000858297884 588942722 /nfs/dbraw/zinc/94/27/22/588942722.db2.gz KSPNRUBCGUBPMU-SNVBAGLBSA-N 1 2 241.360 0.608 20 0 BCADLO CONC(=O)NCCCCn1cc[nH+]c1 ZINC000728949483 583939505 /nfs/dbraw/zinc/93/95/05/583939505.db2.gz UJXDROGTOWXCDI-UHFFFAOYSA-N 1 2 212.253 0.524 20 0 BCADLO CCc1nc(N2CC[C@@H](O)[C@@H](F)C2)cc[nH+]1 ZINC000897375611 583945272 /nfs/dbraw/zinc/94/52/72/583945272.db2.gz YWQHBHUWSXOCOY-DTWKUNHWSA-N 1 2 225.267 0.948 20 0 BCADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000858320665 588945071 /nfs/dbraw/zinc/94/50/71/588945071.db2.gz YMCUJLCZTAYDLP-QMMMGPOBSA-N 1 2 243.332 0.949 20 0 BCADLO CCON(CC)C(=O)C[NH2+]Cc1ccn(C)n1 ZINC000858219535 588938901 /nfs/dbraw/zinc/93/89/01/588938901.db2.gz RCJDOCDKDNVDOP-UHFFFAOYSA-N 1 2 240.307 0.310 20 0 BCADLO Cc1csc(CNCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000858338711 588947013 /nfs/dbraw/zinc/94/70/13/588947013.db2.gz KSPNRUBCGUBPMU-JTQLQIEISA-N 1 2 241.360 0.608 20 0 BCADLO Cc1csc(CNCC[N@H+]2CC[C@H](O)C2)n1 ZINC000858338711 588947015 /nfs/dbraw/zinc/94/70/15/588947015.db2.gz KSPNRUBCGUBPMU-JTQLQIEISA-N 1 2 241.360 0.608 20 0 BCADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)CO ZINC000864072437 584000226 /nfs/dbraw/zinc/00/02/26/584000226.db2.gz KQLNDNKJDKPFTC-CABZTGNLSA-N 1 2 237.303 0.429 20 0 BCADLO COC[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864442108 584004510 /nfs/dbraw/zinc/00/45/10/584004510.db2.gz HMPXIRSXUHARMU-UFFNRZRYSA-N 1 2 242.319 0.026 20 0 BCADLO CNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729646829 584020844 /nfs/dbraw/zinc/02/08/44/584020844.db2.gz DANQKKJLIYIMQC-IUCAKERBSA-N 1 2 231.365 0.190 20 0 BCADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000897724223 584042702 /nfs/dbraw/zinc/04/27/02/584042702.db2.gz BKMKYMCGLKQIMN-IUCAKERBSA-N 1 2 228.292 0.306 20 0 BCADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000897724223 584042703 /nfs/dbraw/zinc/04/27/03/584042703.db2.gz BKMKYMCGLKQIMN-IUCAKERBSA-N 1 2 228.292 0.306 20 0 BCADLO CCC[C@@H]([NH2+][C@H](C)Cn1cncn1)C(=O)OC ZINC000897834263 584052799 /nfs/dbraw/zinc/05/27/99/584052799.db2.gz KXSYLSDWPRYYDQ-NXEZZACHSA-N 1 2 240.307 0.598 20 0 BCADLO CCc1nnc(C[NH2+][C@]2(C)CCNC2=O)s1 ZINC000897866963 584055603 /nfs/dbraw/zinc/05/56/03/584055603.db2.gz KIIFHFUFMBWNQO-SNVBAGLBSA-N 1 2 240.332 0.469 20 0 BCADLO CC(C)n1ccnc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897870197 584055893 /nfs/dbraw/zinc/05/58/93/584055893.db2.gz YXBSLVDJWPVZIN-LBPRGKRZSA-N 1 2 236.319 0.832 20 0 BCADLO Cc1nc(C[NH2+][C@]2(C)CCNC2=O)cs1 ZINC000897874191 584056446 /nfs/dbraw/zinc/05/64/46/584056446.db2.gz UNMRACSSEMBAJP-SNVBAGLBSA-N 1 2 225.317 0.820 20 0 BCADLO CCn1ccnc1C[NH2+]Cc1cn(C)nc1OC ZINC000898027811 584076624 /nfs/dbraw/zinc/07/66/24/584076624.db2.gz AFPYIGDDFSDNGM-UHFFFAOYSA-N 1 2 249.318 0.935 20 0 BCADLO CCn1cc[nH+]c1CNCc1cn(C)nc1OC ZINC000898027811 584076626 /nfs/dbraw/zinc/07/66/26/584076626.db2.gz AFPYIGDDFSDNGM-UHFFFAOYSA-N 1 2 249.318 0.935 20 0 BCADLO CCn1c[nH+]cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898186442 584093464 /nfs/dbraw/zinc/09/34/64/584093464.db2.gz ALGCRHBGIUNEOP-GHMZBOCLSA-N 1 2 227.283 0.808 20 0 BCADLO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187453 584094294 /nfs/dbraw/zinc/09/42/94/584094294.db2.gz JUQQPWPQFBYYSH-CMPLNLGQSA-N 1 2 241.310 0.887 20 0 BCADLO CCc1nn(C)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187453 584094295 /nfs/dbraw/zinc/09/42/95/584094295.db2.gz JUQQPWPQFBYYSH-CMPLNLGQSA-N 1 2 241.310 0.887 20 0 BCADLO O=c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c[nH]1 ZINC000898188944 584094808 /nfs/dbraw/zinc/09/48/08/584094808.db2.gz PZVQPAIHIIHGGD-VHSXEESVSA-N 1 2 226.251 0.692 20 0 BCADLO O=c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c[nH]1 ZINC000898188944 584094810 /nfs/dbraw/zinc/09/48/10/584094810.db2.gz PZVQPAIHIIHGGD-VHSXEESVSA-N 1 2 226.251 0.692 20 0 BCADLO CCn1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000898269611 584104266 /nfs/dbraw/zinc/10/42/66/584104266.db2.gz JHZDAOFGLHKTBY-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO CCn1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)nn1 ZINC000898269611 584104267 /nfs/dbraw/zinc/10/42/67/584104267.db2.gz JHZDAOFGLHKTBY-KOLCDFICSA-N 1 2 222.292 0.112 20 0 BCADLO CC1(C)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866184222 584116060 /nfs/dbraw/zinc/11/60/60/584116060.db2.gz LOSFRQDCYLRBFC-VIFPVBQESA-N 1 2 223.276 0.702 20 0 BCADLO CON(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000898465506 584138827 /nfs/dbraw/zinc/13/88/27/584138827.db2.gz LCMHJMPTRHSJHK-RKDXNWHRSA-N 1 2 238.291 0.123 20 0 BCADLO CON(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000898465506 584138828 /nfs/dbraw/zinc/13/88/28/584138828.db2.gz LCMHJMPTRHSJHK-RKDXNWHRSA-N 1 2 238.291 0.123 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cnco1 ZINC000898495684 584139692 /nfs/dbraw/zinc/13/96/92/584139692.db2.gz NRFYEXPDTQEFSW-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cnco1 ZINC000898495684 584139693 /nfs/dbraw/zinc/13/96/93/584139693.db2.gz NRFYEXPDTQEFSW-VIFPVBQESA-N 1 2 241.266 0.838 20 0 BCADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CCOC1 ZINC000898491344 584140150 /nfs/dbraw/zinc/14/01/50/584140150.db2.gz LYAMBPQWLSBMEW-QWRGUYRKSA-N 1 2 244.310 0.573 20 0 BCADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1CCOC1 ZINC000898491344 584140152 /nfs/dbraw/zinc/14/01/52/584140152.db2.gz LYAMBPQWLSBMEW-QWRGUYRKSA-N 1 2 244.310 0.573 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CCC(F)(F)C2)c1 ZINC000898629119 584147121 /nfs/dbraw/zinc/14/71/21/584147121.db2.gz WVLMICHJQGROGR-UHFFFAOYSA-N 1 2 244.245 0.971 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC=CC2)c1 ZINC000898615481 584147133 /nfs/dbraw/zinc/14/71/33/584147133.db2.gz MISLLKLYWWDIFO-UHFFFAOYSA-N 1 2 206.249 0.502 20 0 BCADLO Cn1c[nH+]c(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1 ZINC000898615183 584147183 /nfs/dbraw/zinc/14/71/83/584147183.db2.gz CHFHXMHNSUKFCN-UWVGGRQHSA-N 1 2 234.303 0.972 20 0 BCADLO C[C@@H]1C[C@H](O)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898619988 584147545 /nfs/dbraw/zinc/14/75/45/584147545.db2.gz FCUISMKPQGKLRB-SCZZXKLOSA-N 1 2 238.291 0.085 20 0 BCADLO CC[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H](C)O ZINC000898619218 584147579 /nfs/dbraw/zinc/14/75/79/584147579.db2.gz HQSYDSDAFXYRBO-SCZZXKLOSA-N 1 2 240.307 0.379 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2cn(C)c[nH+]2)[C@@H]1C ZINC000898618736 584147587 /nfs/dbraw/zinc/14/75/87/584147587.db2.gz BEKHGTKRAXQCIN-RKDXNWHRSA-N 1 2 222.292 0.970 20 0 BCADLO CN(C(=O)NCc1cn(C)c[nH+]1)C1CC(O)C1 ZINC000898620964 584147593 /nfs/dbraw/zinc/14/75/93/584147593.db2.gz XEUVCFSIURNONK-UHFFFAOYSA-N 1 2 238.291 0.085 20 0 BCADLO C[C@@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CCO1 ZINC000898620519 584147895 /nfs/dbraw/zinc/14/78/95/584147895.db2.gz HFEXTPFDXFQOSG-SECBINFHSA-N 1 2 238.291 0.350 20 0 BCADLO C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)[C@H]1C ZINC000898618734 584148031 /nfs/dbraw/zinc/14/80/31/584148031.db2.gz BEKHGTKRAXQCIN-IUCAKERBSA-N 1 2 222.292 0.970 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000898747281 584156645 /nfs/dbraw/zinc/15/66/45/584156645.db2.gz PVAFXESPNSVCMW-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO Cc1n[nH]nc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000898747281 584156646 /nfs/dbraw/zinc/15/66/46/584156646.db2.gz PVAFXESPNSVCMW-SECBINFHSA-N 1 2 235.291 0.678 20 0 BCADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H](O)C1 ZINC000898811752 584160288 /nfs/dbraw/zinc/16/02/88/584160288.db2.gz WJFIFJPTGVYRQE-HRDYMLBCSA-N 1 2 221.260 0.215 20 0 BCADLO CS[C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884742 584164076 /nfs/dbraw/zinc/16/40/76/584164076.db2.gz STSGKXUYURHJQL-YUMQZZPRSA-N 1 2 243.332 0.321 20 0 BCADLO CC(C)[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884944 584164088 /nfs/dbraw/zinc/16/40/88/584164088.db2.gz VROXRAIVIUJXQC-UWVGGRQHSA-N 1 2 239.319 0.862 20 0 BCADLO CCCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898881284 584164619 /nfs/dbraw/zinc/16/46/19/584164619.db2.gz JZYLSZYNXCTAMR-SECBINFHSA-N 1 2 225.292 0.760 20 0 BCADLO CC(C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898881315 584164664 /nfs/dbraw/zinc/16/46/64/584164664.db2.gz KQBORBLKZAVQHS-VIFPVBQESA-N 1 2 225.292 0.616 20 0 BCADLO CC(C)(CNC(=O)c1cncnc1)n1cc[nH+]c1 ZINC000898906298 584165323 /nfs/dbraw/zinc/16/53/23/584165323.db2.gz LPQLTBPKFGPTSM-UHFFFAOYSA-N 1 2 245.286 0.838 20 0 BCADLO Cn1cnc(C(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898905265 584165544 /nfs/dbraw/zinc/16/55/44/584165544.db2.gz WAVJFSQWBLWDFW-UHFFFAOYSA-N 1 2 247.302 0.782 20 0 BCADLO Cn1c[nH+]cc1CCS(=O)(=O)c1ncc[nH]1 ZINC000899479465 584217784 /nfs/dbraw/zinc/21/77/84/584217784.db2.gz XRAYHRHCBPHNRW-UHFFFAOYSA-N 1 2 240.288 0.160 20 0 BCADLO CCOC(=O)CC[N@H+](C)Cc1cn(CC)nn1 ZINC000899869643 584244529 /nfs/dbraw/zinc/24/45/29/584244529.db2.gz HBOIZYPADHTTQS-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO CCOC(=O)CC[N@@H+](C)Cc1cn(CC)nn1 ZINC000899869643 584244530 /nfs/dbraw/zinc/24/45/30/584244530.db2.gz HBOIZYPADHTTQS-UHFFFAOYSA-N 1 2 240.307 0.683 20 0 BCADLO C[C@](O)(C[NH+]1CC(N2CCCC2=O)C1)C(F)F ZINC000899909212 584249662 /nfs/dbraw/zinc/24/96/62/584249662.db2.gz XCDQJYKZWNGDHX-NSHDSACASA-N 1 2 248.273 0.309 20 0 BCADLO CN1CCC2(CC[N@@H+]2CCS(C)(=O)=O)CC1 ZINC000899909442 584249669 /nfs/dbraw/zinc/24/96/69/584249669.db2.gz CPCOVJQUIRPQHA-UHFFFAOYSA-N 1 2 246.376 0.201 20 0 BCADLO CN1CCC2(CC[N@H+]2CCS(C)(=O)=O)CC1 ZINC000899909442 584249670 /nfs/dbraw/zinc/24/96/70/584249670.db2.gz CPCOVJQUIRPQHA-UHFFFAOYSA-N 1 2 246.376 0.201 20 0 BCADLO COCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899904803 584251384 /nfs/dbraw/zinc/25/13/84/584251384.db2.gz OMVCCTNOORHXDS-LUAWRHEFSA-N 1 2 242.319 0.028 20 0 BCADLO COCCCNC(=O)CNc1cccc[nH+]1 ZINC000899920371 584252523 /nfs/dbraw/zinc/25/25/23/584252523.db2.gz HZPBNAZMTFYGLK-UHFFFAOYSA-N 1 2 223.276 0.646 20 0 BCADLO C/C(Cl)=C/C(=O)NCC[NH+]1CCOCC1 ZINC000899928640 584255956 /nfs/dbraw/zinc/25/59/56/584255956.db2.gz LOIPRYOFUNOBRL-HJWRWDBZSA-N 1 2 232.711 0.577 20 0 BCADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000858588575 588969616 /nfs/dbraw/zinc/96/96/16/588969616.db2.gz JTUFUIPWGNOQRQ-BDAKNGLRSA-N 1 2 238.291 0.326 20 0 BCADLO Cn1cc[nH+]c1CS(=O)(=O)CCOC1CC1 ZINC000899964416 584261411 /nfs/dbraw/zinc/26/14/11/584261411.db2.gz WFEPHXBPCLPCTG-UHFFFAOYSA-N 1 2 244.316 0.514 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NC1=[NH+]CCS1 ZINC000900005828 584264354 /nfs/dbraw/zinc/26/43/54/584264354.db2.gz KLICURAFLLLCNF-NKWVEPMBSA-N 1 2 216.306 0.612 20 0 BCADLO Cn1c[nH+]c(CN2C(=O)CN(C3CCC3)C2=O)c1 ZINC000900157267 584280455 /nfs/dbraw/zinc/28/04/55/584280455.db2.gz HQYLIOPHDVYXLZ-UHFFFAOYSA-N 1 2 248.286 0.737 20 0 BCADLO O=C(CNc1ccccn1)NCCn1cc[nH+]c1 ZINC000900193215 584284925 /nfs/dbraw/zinc/28/49/25/584284925.db2.gz DMIOYGUUBJINNZ-UHFFFAOYSA-N 1 2 245.286 0.506 20 0 BCADLO CCN(CCC(=O)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900298897 584292610 /nfs/dbraw/zinc/29/26/10/584292610.db2.gz GMUCLSPAYVOKKS-UHFFFAOYSA-N 1 2 239.275 0.364 20 0 BCADLO CN(CC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900341508 584294085 /nfs/dbraw/zinc/29/40/85/584294085.db2.gz DZIIXDUMZQLJTL-UHFFFAOYSA-N 1 2 221.182 0.973 20 0 BCADLO CCN(C[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900340580 584294325 /nfs/dbraw/zinc/29/43/25/584294325.db2.gz RZGBZKYYXUNRAP-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CCO[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900370941 584298302 /nfs/dbraw/zinc/29/83/02/584298302.db2.gz POLSXYROOAKKHD-NSHDSACASA-N 1 2 237.303 0.980 20 0 BCADLO CCN(Cc1cnn(C)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900410153 584304749 /nfs/dbraw/zinc/30/47/49/584304749.db2.gz POKXNWBIQUXMQJ-UHFFFAOYSA-N 1 2 247.302 0.734 20 0 BCADLO CO[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900548052 584321263 /nfs/dbraw/zinc/32/12/63/584321263.db2.gz NXKHPGVGFKQVCX-JTQLQIEISA-N 1 2 223.276 0.590 20 0 BCADLO C/C=C\[C@H](O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900561475 584324949 /nfs/dbraw/zinc/32/49/49/584324949.db2.gz JFMXDMBTMPQJNL-YLQALMJQSA-N 1 2 249.314 0.984 20 0 BCADLO Cc1ncc(C(=O)NCc2[nH+]ccn2C)n1C ZINC000900562250 584325309 /nfs/dbraw/zinc/32/53/09/584325309.db2.gz LRFNHVHIIZLOAX-UHFFFAOYSA-N 1 2 233.275 0.392 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCOC1 ZINC000900602354 584330044 /nfs/dbraw/zinc/33/00/44/584330044.db2.gz QHGXFOZTEUHQKX-QMMMGPOBSA-N 1 2 209.249 0.247 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCCOC1 ZINC000900602354 584330045 /nfs/dbraw/zinc/33/00/45/584330045.db2.gz QHGXFOZTEUHQKX-QMMMGPOBSA-N 1 2 209.249 0.247 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646443 584335384 /nfs/dbraw/zinc/33/53/84/584335384.db2.gz DEESFVRBSHYAOU-DTWKUNHWSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000900659232 584337144 /nfs/dbraw/zinc/33/71/44/584337144.db2.gz MGVLAQHBOZTHDY-GXSJLCMTSA-N 1 2 237.303 0.978 20 0 BCADLO C=CC(=O)N(CC)CC(=O)NCc1[nH]cc[nH+]1 ZINC000900664204 584337558 /nfs/dbraw/zinc/33/75/58/584337558.db2.gz BQVLELGSDWSBEK-UHFFFAOYSA-N 1 2 236.275 0.060 20 0 BCADLO CN(Cc1cc[nH]n1)C(=O)CNc1cccc[nH+]1 ZINC000900674264 584340215 /nfs/dbraw/zinc/34/02/15/584340215.db2.gz JWYPDOPJKVAHQN-UHFFFAOYSA-N 1 2 245.286 0.875 20 0 BCADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc(F)cn1 ZINC000858769177 588976293 /nfs/dbraw/zinc/97/62/93/588976293.db2.gz AHWPZLFMLHSACB-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO C[N@H+]1CCOC[C@@H]1CNc1cnc(F)cn1 ZINC000858769177 588976294 /nfs/dbraw/zinc/97/62/94/588976294.db2.gz AHWPZLFMLHSACB-QMMMGPOBSA-N 1 2 226.255 0.358 20 0 BCADLO CC(C)(C)OC(=O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900726270 584345525 /nfs/dbraw/zinc/34/55/25/584345525.db2.gz KONHOPINUAAAEX-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)(C)OC(=O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900726270 584345526 /nfs/dbraw/zinc/34/55/26/584345526.db2.gz KONHOPINUAAAEX-UHFFFAOYSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900745408 584348773 /nfs/dbraw/zinc/34/87/73/584348773.db2.gz KWRFNRQCELDOOM-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO CC(C)(C)C[C@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900745408 584348775 /nfs/dbraw/zinc/34/87/75/584348775.db2.gz KWRFNRQCELDOOM-JTQLQIEISA-N 1 2 239.319 0.866 20 0 BCADLO C/C=C\[C@H](O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900786775 584351648 /nfs/dbraw/zinc/35/16/48/584351648.db2.gz MZEGUNZRUIBAFZ-CJOPTALJSA-N 1 2 237.303 0.572 20 0 BCADLO CC[C@H](C(=O)NCc1cn(C)c[nH+]1)[C@@H](C)O ZINC000900830084 584354969 /nfs/dbraw/zinc/35/49/69/584354969.db2.gz RTMBNCGMEABJIB-SCZZXKLOSA-N 1 2 225.292 0.443 20 0 BCADLO O=C(CCF)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000900867276 584363181 /nfs/dbraw/zinc/36/31/81/584363181.db2.gz SBCXNCJFVIOCED-NSHDSACASA-N 1 2 244.310 0.669 20 0 BCADLO C[C@@](O)(CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900901935 584364412 /nfs/dbraw/zinc/36/44/12/584364412.db2.gz UCBMGBALZONJCT-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO C[C@@](O)(CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900901935 584364414 /nfs/dbraw/zinc/36/44/14/584364414.db2.gz UCBMGBALZONJCT-LLVKDONJSA-N 1 2 223.276 0.229 20 0 BCADLO CN(C[C@@H]1CCOC1)C(=O)CNc1cccc[nH+]1 ZINC000900959166 584371451 /nfs/dbraw/zinc/37/14/51/584371451.db2.gz OCUCSYVNZHQLHD-NSHDSACASA-N 1 2 249.314 0.988 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2COCC[C@H]21 ZINC000901016366 584374185 /nfs/dbraw/zinc/37/41/85/584374185.db2.gz CHFULICQRQHMQT-CMPLNLGQSA-N 1 2 249.314 0.980 20 0 BCADLO CC1(C)OC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000901045204 584377037 /nfs/dbraw/zinc/37/70/37/584377037.db2.gz NNYNDLJEUQWNRO-VIFPVBQESA-N 1 2 239.275 0.220 20 0 BCADLO CC1(C)OC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)O1 ZINC000901045204 584377039 /nfs/dbraw/zinc/37/70/39/584377039.db2.gz NNYNDLJEUQWNRO-VIFPVBQESA-N 1 2 239.275 0.220 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCS1 ZINC000901018454 584377599 /nfs/dbraw/zinc/37/75/99/584377599.db2.gz QXJFRLRSWSAFBO-VIFPVBQESA-N 1 2 225.317 0.964 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CCCS1 ZINC000901018454 584377601 /nfs/dbraw/zinc/37/76/01/584377601.db2.gz QXJFRLRSWSAFBO-VIFPVBQESA-N 1 2 225.317 0.964 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901072067 584377853 /nfs/dbraw/zinc/37/78/53/584377853.db2.gz CDBZPZKQOPZERR-WPRPVWTQSA-N 1 2 225.292 0.475 20 0 BCADLO CC[C@H](C)[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901072067 584377854 /nfs/dbraw/zinc/37/78/54/584377854.db2.gz CDBZPZKQOPZERR-WPRPVWTQSA-N 1 2 225.292 0.475 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901071925 584378967 /nfs/dbraw/zinc/37/89/67/584378967.db2.gz BOEIYWBLEPOQPV-VIFPVBQESA-N 1 2 211.265 0.085 20 0 BCADLO CC(C)[C@@H](O)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901071925 584378969 /nfs/dbraw/zinc/37/89/69/584378969.db2.gz BOEIYWBLEPOQPV-VIFPVBQESA-N 1 2 211.265 0.085 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCCSCCCO ZINC000901051403 584379416 /nfs/dbraw/zinc/37/94/16/584379416.db2.gz CQLSQTIIJGOEGC-UHFFFAOYSA-N 1 2 243.332 0.184 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)NCCSCCCO ZINC000901051403 584379417 /nfs/dbraw/zinc/37/94/17/584379417.db2.gz CQLSQTIIJGOEGC-UHFFFAOYSA-N 1 2 243.332 0.184 20 0 BCADLO CN(Cc1cccn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901061909 584380562 /nfs/dbraw/zinc/38/05/62/584380562.db2.gz YYJRHTUMIGEAKV-UHFFFAOYSA-N 1 2 232.287 0.949 20 0 BCADLO CCC[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000901073064 584381688 /nfs/dbraw/zinc/38/16/88/584381688.db2.gz LZDAUYQMQVWRME-JTQLQIEISA-N 1 2 237.303 0.771 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000901079507 584382133 /nfs/dbraw/zinc/38/21/33/584382133.db2.gz XJKICMZHPPDSJR-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000901079507 584382135 /nfs/dbraw/zinc/38/21/35/584382135.db2.gz XJKICMZHPPDSJR-SECBINFHSA-N 1 2 237.303 0.884 20 0 BCADLO CC[C@@H](O)CCNC(=O)CNc1cccc[nH+]1 ZINC000901090960 584383518 /nfs/dbraw/zinc/38/35/18/584383518.db2.gz DPVSTFUJCKRUHS-SNVBAGLBSA-N 1 2 237.303 0.771 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901092784 584384381 /nfs/dbraw/zinc/38/43/81/584384381.db2.gz ZLNWZSQGKHPXAW-SECBINFHSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901092784 584384383 /nfs/dbraw/zinc/38/43/83/584384383.db2.gz ZLNWZSQGKHPXAW-SECBINFHSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901093582 584384454 /nfs/dbraw/zinc/38/44/54/584384454.db2.gz JWPZUONHHDQCOX-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](CCO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901093582 584384456 /nfs/dbraw/zinc/38/44/56/584384456.db2.gz JWPZUONHHDQCOX-QMMMGPOBSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901103815 584388872 /nfs/dbraw/zinc/38/88/72/584388872.db2.gz WHXQNMQXTPRVBU-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901103815 584388873 /nfs/dbraw/zinc/38/88/73/584388873.db2.gz WHXQNMQXTPRVBU-ZJUUUORDSA-N 1 2 239.319 0.866 20 0 BCADLO COCC1(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000901105480 584388938 /nfs/dbraw/zinc/38/89/38/584388938.db2.gz MRUUONROYGEWCS-UHFFFAOYSA-N 1 2 235.287 0.789 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000901174603 584395554 /nfs/dbraw/zinc/39/55/54/584395554.db2.gz BSIZJPIIQBHGSP-WDEREUQCSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@H](CO)N(C)C(=O)CNc1cccc[nH+]1 ZINC000901196748 584397908 /nfs/dbraw/zinc/39/79/08/584397908.db2.gz HLHWGFCQUSUKLF-SECBINFHSA-N 1 2 223.276 0.333 20 0 BCADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H](CO)C1 ZINC000901224766 584411660 /nfs/dbraw/zinc/41/16/60/584411660.db2.gz MBROMKNUVRUZHW-SNVBAGLBSA-N 1 2 235.287 0.334 20 0 BCADLO CCc1nnc([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000901253625 584415820 /nfs/dbraw/zinc/41/58/20/584415820.db2.gz CUIMTQYSINZIFY-ZETCQYMHSA-N 1 2 248.290 0.510 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901330173 584424578 /nfs/dbraw/zinc/42/45/78/584424578.db2.gz POOZCTPVSGASRD-KOLCDFICSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901330173 584424581 /nfs/dbraw/zinc/42/45/81/584424581.db2.gz POOZCTPVSGASRD-KOLCDFICSA-N 1 2 237.303 0.884 20 0 BCADLO COC(=O)[C@H]([NH3+])Cc1cc(C2CC2)no1 ZINC000901396523 584438336 /nfs/dbraw/zinc/43/83/36/584438336.db2.gz NKPXRANYEMWCPZ-MRVPVSSYSA-N 1 2 210.233 0.595 20 0 BCADLO CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)C(=O)OC ZINC000901594531 584465582 /nfs/dbraw/zinc/46/55/82/584465582.db2.gz CJKVTDFQGLCRQM-BDAKNGLRSA-N 1 2 228.292 0.054 20 0 BCADLO O=C(OCCF)N1CCn2cc[nH+]c2C1 ZINC000858998687 588989561 /nfs/dbraw/zinc/98/95/61/588989561.db2.gz FGZGQJKIZCSUTM-UHFFFAOYSA-N 1 2 213.212 0.805 20 0 BCADLO CC[C@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902041381 584515666 /nfs/dbraw/zinc/51/56/66/584515666.db2.gz IZDQZJDMQZNDTJ-DCAQKATOSA-N 1 2 224.304 0.533 20 0 BCADLO CC[C@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902041381 584515668 /nfs/dbraw/zinc/51/56/68/584515668.db2.gz IZDQZJDMQZNDTJ-DCAQKATOSA-N 1 2 224.304 0.533 20 0 BCADLO CC[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902041378 584515776 /nfs/dbraw/zinc/51/57/76/584515776.db2.gz IZDQZJDMQZNDTJ-AXFHLTTASA-N 1 2 224.304 0.533 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)CCO1 ZINC000902041378 584515777 /nfs/dbraw/zinc/51/57/77/584515777.db2.gz IZDQZJDMQZNDTJ-AXFHLTTASA-N 1 2 224.304 0.533 20 0 BCADLO C[C@@H]1C[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902047997 584516764 /nfs/dbraw/zinc/51/67/64/584516764.db2.gz AVZQKRNFAOOTIG-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO C[C@@H]1C[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)[C@@H](C)CO1 ZINC000902047997 584516765 /nfs/dbraw/zinc/51/67/65/584516765.db2.gz AVZQKRNFAOOTIG-VLEAKVRGSA-N 1 2 224.304 0.531 20 0 BCADLO Cc1nc(=NCc2[nH+]ccn2C2CC2)n(C)[nH]1 ZINC000902065241 584522663 /nfs/dbraw/zinc/52/26/63/584522663.db2.gz DNJNOVNVHDSRIY-UHFFFAOYSA-N 1 2 232.291 0.689 20 0 BCADLO CCOCCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000885761842 588990896 /nfs/dbraw/zinc/99/08/96/588990896.db2.gz WLWGNEZXKFQOIE-UHFFFAOYSA-N 1 2 241.291 0.501 20 0 BCADLO C[N@H+](C[C@@H]1CCCO1)CN1CCOC1=O ZINC000902139416 584526985 /nfs/dbraw/zinc/52/69/85/584526985.db2.gz PZIRTHUGBFWBLP-VIFPVBQESA-N 1 2 214.265 0.507 20 0 BCADLO C[N@@H+](C[C@@H]1CCCO1)CN1CCOC1=O ZINC000902139416 584526986 /nfs/dbraw/zinc/52/69/86/584526986.db2.gz PZIRTHUGBFWBLP-VIFPVBQESA-N 1 2 214.265 0.507 20 0 BCADLO CCn1cc(CNc2[nH+]cccc2CO)nn1 ZINC000902148118 584530639 /nfs/dbraw/zinc/53/06/39/584530639.db2.gz OMOUEZAJULWDOJ-UHFFFAOYSA-N 1 2 233.275 0.797 20 0 BCADLO C[C@@H]1CSCC[N@@H+]1CN1CCOC1=O ZINC000902151924 584531248 /nfs/dbraw/zinc/53/12/48/584531248.db2.gz XNQXCSVFOQWXEK-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO C[C@@H]1CSCC[N@H+]1CN1CCOC1=O ZINC000902151924 584531249 /nfs/dbraw/zinc/53/12/49/584531249.db2.gz XNQXCSVFOQWXEK-MRVPVSSYSA-N 1 2 216.306 0.833 20 0 BCADLO C[C@@H]1CNC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000902154380 584531570 /nfs/dbraw/zinc/53/15/70/584531570.db2.gz HTRFXOHFQQMTGF-SSDOTTSWSA-N 1 2 234.259 0.352 20 0 BCADLO Cn1cccc1C[N@H+](C)CN1CCOC1=O ZINC000902185992 584533699 /nfs/dbraw/zinc/53/36/99/584533699.db2.gz ONEVREGKEMZXOF-UHFFFAOYSA-N 1 2 223.276 0.867 20 0 BCADLO Cn1cccc1C[N@@H+](C)CN1CCOC1=O ZINC000902185992 584533700 /nfs/dbraw/zinc/53/37/00/584533700.db2.gz ONEVREGKEMZXOF-UHFFFAOYSA-N 1 2 223.276 0.867 20 0 BCADLO CC(C)(C)c1nnnn1Cc1ccc(N)[nH+]c1 ZINC000902214240 584535766 /nfs/dbraw/zinc/53/57/66/584535766.db2.gz GKWZKBOOTYJBGI-UHFFFAOYSA-N 1 2 232.291 0.996 20 0 BCADLO CC(=O)OC1CC[NH+](CN2CCOC2=O)CC1 ZINC000902196119 584536657 /nfs/dbraw/zinc/53/66/57/584536657.db2.gz RCCOEERHNJDRHH-UHFFFAOYSA-N 1 2 242.275 0.424 20 0 BCADLO C[N@H+](CCc1cnccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902209344 584538985 /nfs/dbraw/zinc/53/89/85/584538985.db2.gz PNIDYYGRQMCMEH-JQWIXIFHSA-N 1 2 246.314 0.387 20 0 BCADLO C[N@@H+](CCc1cnccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902209344 584538986 /nfs/dbraw/zinc/53/89/86/584538986.db2.gz PNIDYYGRQMCMEH-JQWIXIFHSA-N 1 2 246.314 0.387 20 0 BCADLO CON1CC[C@@H](O[NH+]=C(N)COC(C)C)C1=O ZINC000902220813 584540411 /nfs/dbraw/zinc/54/04/11/584540411.db2.gz LLHIZHNWXZAWAG-MRVPVSSYSA-N 1 2 245.279 0.072 20 0 BCADLO CC[C@]1(C)C[N@H+](CN2CCOC2=O)CCO1 ZINC000902235837 584542914 /nfs/dbraw/zinc/54/29/14/584542914.db2.gz SJCNBUUXJMMZAO-LLVKDONJSA-N 1 2 228.292 0.897 20 0 BCADLO CC[C@]1(C)C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902235837 584542916 /nfs/dbraw/zinc/54/29/16/584542916.db2.gz SJCNBUUXJMMZAO-LLVKDONJSA-N 1 2 228.292 0.897 20 0 BCADLO CCn1cnc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000902238386 584543309 /nfs/dbraw/zinc/54/33/09/584543309.db2.gz NBKPDONOYMGCIR-VIFPVBQESA-N 1 2 245.348 0.426 20 0 BCADLO C[C@@H]1C[N@H+](CN2CCOC2=O)C[C@H](C2CC2)O1 ZINC000902243101 584545538 /nfs/dbraw/zinc/54/55/38/584545538.db2.gz LRNLHAIGIIDFAU-MWLCHTKSSA-N 1 2 240.303 0.895 20 0 BCADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)C[C@H](C2CC2)O1 ZINC000902243101 584545540 /nfs/dbraw/zinc/54/55/40/584545540.db2.gz LRNLHAIGIIDFAU-MWLCHTKSSA-N 1 2 240.303 0.895 20 0 BCADLO CC[C@H]1NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902280324 584547327 /nfs/dbraw/zinc/54/73/27/584547327.db2.gz CXTYOBHYQQJFEP-MRVPVSSYSA-N 1 2 234.259 0.494 20 0 BCADLO CO[C@H](C)C(N)=[NH+]OCCCCCNC(C)=O ZINC000902279914 584547415 /nfs/dbraw/zinc/54/74/15/584547415.db2.gz CIHTYRMJFNSFRI-SECBINFHSA-N 1 2 245.323 0.826 20 0 BCADLO NC(=[NH+]OCc1ccc(N)nc1)[C@H]1CCCO1 ZINC000902380540 584576453 /nfs/dbraw/zinc/57/64/53/584576453.db2.gz HRAVDGDHINMPDR-SECBINFHSA-N 1 2 236.275 0.841 20 0 BCADLO NC(=[NH+]OCC[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000902381764 584576960 /nfs/dbraw/zinc/57/69/60/584576960.db2.gz OJYYFRMVRZIJHA-BDAKNGLRSA-N 1 2 241.291 0.190 20 0 BCADLO Cc1cnc(=O)n(CCCc2c[nH+]cn2C)c1 ZINC000902413205 584578617 /nfs/dbraw/zinc/57/86/17/584578617.db2.gz HESMCIBMDWSTIK-UHFFFAOYSA-N 1 2 232.287 0.918 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccnc(F)c1 ZINC000859088266 588999620 /nfs/dbraw/zinc/99/96/20/588999620.db2.gz IOZNIPDQRLPTMI-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccnc(F)c1 ZINC000859088266 588999621 /nfs/dbraw/zinc/99/96/21/588999621.db2.gz IOZNIPDQRLPTMI-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO Cc1nn(Cc2ccc(N)[nH+]c2)cc1CO ZINC000902495954 584618789 /nfs/dbraw/zinc/61/87/89/584618789.db2.gz DHVMBBZDLFHLSO-UHFFFAOYSA-N 1 2 218.260 0.709 20 0 BCADLO COC(=O)c1nn(Cc2c[nH+]cn2C)cc1C ZINC000902601043 584640789 /nfs/dbraw/zinc/64/07/89/584640789.db2.gz WOFMLWJHLVMBDF-UHFFFAOYSA-N 1 2 234.259 0.760 20 0 BCADLO CCc1noc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000902618174 584644080 /nfs/dbraw/zinc/64/40/80/584644080.db2.gz VKLQSMCHVHAGNP-MRVPVSSYSA-N 1 2 249.274 0.647 20 0 BCADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2CO)C1 ZINC000902631302 584646915 /nfs/dbraw/zinc/64/69/15/584646915.db2.gz GRJSCBNITDVGGL-NWDGAFQWSA-N 1 2 240.347 0.905 20 0 BCADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2CO)C1 ZINC000902631302 584646916 /nfs/dbraw/zinc/64/69/16/584646916.db2.gz GRJSCBNITDVGGL-NWDGAFQWSA-N 1 2 240.347 0.905 20 0 BCADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902631262 584646944 /nfs/dbraw/zinc/64/69/44/584646944.db2.gz GLVUDJBWUJGJSZ-MNOVXSKESA-N 1 2 226.320 0.659 20 0 BCADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902631262 584646945 /nfs/dbraw/zinc/64/69/45/584646945.db2.gz GLVUDJBWUJGJSZ-MNOVXSKESA-N 1 2 226.320 0.659 20 0 BCADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@H]2CO)[C@H]1C1CC1 ZINC000902631842 584646960 /nfs/dbraw/zinc/64/69/60/584646960.db2.gz JTIKNICEKPMJSI-QWRGUYRKSA-N 1 2 238.331 0.658 20 0 BCADLO CC1(C)C(=O)N(C[N@H+]2CC[C@H]2CO)[C@H]1C1CC1 ZINC000902631842 584646961 /nfs/dbraw/zinc/64/69/61/584646961.db2.gz JTIKNICEKPMJSI-QWRGUYRKSA-N 1 2 238.331 0.658 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2CO)C1 ZINC000902632444 584647632 /nfs/dbraw/zinc/64/76/32/584647632.db2.gz NGYSUONFIQKOCD-UWVGGRQHSA-N 1 2 212.293 0.269 20 0 BCADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2CO)C1 ZINC000902632444 584647633 /nfs/dbraw/zinc/64/76/33/584647633.db2.gz NGYSUONFIQKOCD-UWVGGRQHSA-N 1 2 212.293 0.269 20 0 BCADLO OC[C@H]1CC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000902633976 584647661 /nfs/dbraw/zinc/64/76/61/584647661.db2.gz ZFNBBLQNACDIAS-SNVBAGLBSA-N 1 2 245.286 0.364 20 0 BCADLO OC[C@H]1CC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000902633976 584647662 /nfs/dbraw/zinc/64/76/62/584647662.db2.gz ZFNBBLQNACDIAS-SNVBAGLBSA-N 1 2 245.286 0.364 20 0 BCADLO O=C1N(C[N@H+]2CC[C@@H]2CO)CCC12CCCC2 ZINC000902634339 584648211 /nfs/dbraw/zinc/64/82/11/584648211.db2.gz GLPWPYWXZLZTKW-LLVKDONJSA-N 1 2 238.331 0.803 20 0 BCADLO O=C1N(C[N@@H+]2CC[C@@H]2CO)CCC12CCCC2 ZINC000902634339 584648212 /nfs/dbraw/zinc/64/82/12/584648212.db2.gz GLPWPYWXZLZTKW-LLVKDONJSA-N 1 2 238.331 0.803 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1ccsc1=O ZINC000902639247 584649260 /nfs/dbraw/zinc/64/92/60/584649260.db2.gz SELSDNNGUYXSJO-DTWKUNHWSA-N 1 2 228.317 0.977 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1ccsc1=O ZINC000902639247 584649262 /nfs/dbraw/zinc/64/92/62/584649262.db2.gz SELSDNNGUYXSJO-DTWKUNHWSA-N 1 2 228.317 0.977 20 0 BCADLO CCn1c[nH+]c(CNCc2nonc2C)c1 ZINC000902641150 584649847 /nfs/dbraw/zinc/64/98/47/584649847.db2.gz YIGRLTWLTGEZFN-UHFFFAOYSA-N 1 2 221.264 0.884 20 0 BCADLO CCc1noc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000902678442 584652584 /nfs/dbraw/zinc/65/25/84/584652584.db2.gz CLOGQPJKDIECFT-UHFFFAOYSA-N 1 2 235.247 0.296 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1CO[NH+]=C(N)[C@@H](C)OC ZINC000902717994 584657772 /nfs/dbraw/zinc/65/77/72/584657772.db2.gz XPELVARVRKIVKD-HRDYMLBCSA-N 1 2 244.291 0.719 20 0 BCADLO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cn(C)nn1 ZINC000902840839 584680361 /nfs/dbraw/zinc/68/03/61/584680361.db2.gz IGOIWPHFXXRTHO-WPRPVWTQSA-N 1 2 246.318 0.746 20 0 BCADLO C[C@@H]1CCS(=O)(=O)N1Cc1ccc(N)[nH+]c1 ZINC000902851083 584682263 /nfs/dbraw/zinc/68/22/63/584682263.db2.gz KHCHKRAYZFNJHG-MRVPVSSYSA-N 1 2 241.316 0.588 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)OCCF ZINC000859117555 589004538 /nfs/dbraw/zinc/00/45/38/589004538.db2.gz XTTVWEVEBKAIOF-MRVPVSSYSA-N 1 2 227.239 0.894 20 0 BCADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCO ZINC000902942528 584695398 /nfs/dbraw/zinc/69/53/98/584695398.db2.gz HTQBRPATTWKLJL-MRVPVSSYSA-N 1 2 211.265 0.463 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)OCCF ZINC000859117556 589005070 /nfs/dbraw/zinc/00/50/70/589005070.db2.gz XTTVWEVEBKAIOF-QMMMGPOBSA-N 1 2 227.239 0.894 20 0 BCADLO O=S1(=O)CCC[C@H]1C[N@H+]1CCC[C@@H](F)C1 ZINC000902992402 584711207 /nfs/dbraw/zinc/71/12/07/584711207.db2.gz KSZJSRIAOVFNFQ-ZJUUUORDSA-N 1 2 235.324 0.998 20 0 BCADLO O=S1(=O)CCC[C@H]1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902992402 584711208 /nfs/dbraw/zinc/71/12/08/584711208.db2.gz KSZJSRIAOVFNFQ-ZJUUUORDSA-N 1 2 235.324 0.998 20 0 BCADLO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H](F)C2)C1 ZINC000902996486 584714148 /nfs/dbraw/zinc/71/41/48/584714148.db2.gz SFTPVXATFZLYSF-ZJUUUORDSA-N 1 2 235.324 0.855 20 0 BCADLO O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902996486 584714149 /nfs/dbraw/zinc/71/41/49/584714149.db2.gz SFTPVXATFZLYSF-ZJUUUORDSA-N 1 2 235.324 0.855 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001176 584715438 /nfs/dbraw/zinc/71/54/38/584715438.db2.gz MBFQAASYGIAJFP-BDAKNGLRSA-N 1 2 245.298 0.655 20 0 BCADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001176 584715440 /nfs/dbraw/zinc/71/54/40/584715440.db2.gz MBFQAASYGIAJFP-BDAKNGLRSA-N 1 2 245.298 0.655 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](F)C2)CCO1 ZINC000903002771 584716565 /nfs/dbraw/zinc/71/65/65/584716565.db2.gz HBNAGXKTVYRZIE-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](F)C2)CCO1 ZINC000903002771 584716567 /nfs/dbraw/zinc/71/65/67/584716567.db2.gz HBNAGXKTVYRZIE-QWRGUYRKSA-N 1 2 244.310 0.668 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903003562 584716902 /nfs/dbraw/zinc/71/69/02/584716902.db2.gz ONRBCVBMKXRJLV-SFYZADRCSA-N 1 2 231.271 0.264 20 0 BCADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903003562 584716903 /nfs/dbraw/zinc/71/69/03/584716903.db2.gz ONRBCVBMKXRJLV-SFYZADRCSA-N 1 2 231.271 0.264 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000903014477 584718126 /nfs/dbraw/zinc/71/81/26/584718126.db2.gz UCNBZCVKSJCDFF-FBIMIBRVSA-N 1 2 240.307 0.270 20 0 BCADLO Cc1nsc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000903036502 584719654 /nfs/dbraw/zinc/71/96/54/584719654.db2.gz IMUKIHQLNFMKKU-UHFFFAOYSA-N 1 2 237.288 0.510 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027186 584722111 /nfs/dbraw/zinc/72/21/11/584722111.db2.gz OXZAGZJFFIACEW-ZJUUUORDSA-N 1 2 248.286 0.278 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027186 584722112 /nfs/dbraw/zinc/72/21/12/584722112.db2.gz OXZAGZJFFIACEW-ZJUUUORDSA-N 1 2 248.286 0.278 20 0 BCADLO Cc1cn[nH]c1CNCc1cc(N)cc[nH+]1 ZINC000903954077 584831475 /nfs/dbraw/zinc/83/14/75/584831475.db2.gz PRFWUIMPGBJYKA-UHFFFAOYSA-N 1 2 217.276 0.985 20 0 BCADLO Cc1[nH+]cc(C[NH2+][C@]2(C(=O)[O-])CCOC2)n1C ZINC000904009938 584837448 /nfs/dbraw/zinc/83/74/48/584837448.db2.gz LMSADWDJZCWBKC-LLVKDONJSA-N 1 2 239.275 0.062 20 0 BCADLO Cc1cc(C)c(C(=O)Nc2nnnn2C)c(C)[nH+]1 ZINC000904189332 584848747 /nfs/dbraw/zinc/84/87/47/584848747.db2.gz JLWRBVQAYBUYMX-UHFFFAOYSA-N 1 2 246.274 0.783 20 0 BCADLO Nc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)nn1 ZINC000904347763 584868585 /nfs/dbraw/zinc/86/85/85/584868585.db2.gz JTWNRUFKPMCGOS-GFCCVEGCSA-N 1 2 248.286 0.340 20 0 BCADLO Nc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)nn1 ZINC000904347763 584868586 /nfs/dbraw/zinc/86/85/86/584868586.db2.gz JTWNRUFKPMCGOS-GFCCVEGCSA-N 1 2 248.286 0.340 20 0 BCADLO Fc1cccc(C[NH2+][C@H]2CNOC2)c1F ZINC000904426527 584881535 /nfs/dbraw/zinc/88/15/35/584881535.db2.gz AWFUUHBDPKRAEF-QMMMGPOBSA-N 1 2 214.215 0.958 20 0 BCADLO c1c(C[NH2+][C@H]2CNOC2)nnn1-c1ccccc1 ZINC000904427306 584881573 /nfs/dbraw/zinc/88/15/73/584881573.db2.gz WHAHMBQOOQOFPS-NSHDSACASA-N 1 2 245.286 0.260 20 0 BCADLO Cn1c(C[NH2+][C@H]2CNOC2)nc2ccccc21 ZINC000904426903 584881757 /nfs/dbraw/zinc/88/17/57/584881757.db2.gz JXXBQARVJFBAQY-VIFPVBQESA-N 1 2 232.287 0.566 20 0 BCADLO Cn1c(C[NH2+][C@@H]2CNOC2)nc2ccccc21 ZINC000904421571 584882237 /nfs/dbraw/zinc/88/22/37/584882237.db2.gz JXXBQARVJFBAQY-SECBINFHSA-N 1 2 232.287 0.566 20 0 BCADLO COC1(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000830832670 584908742 /nfs/dbraw/zinc/90/87/42/584908742.db2.gz NWFGXBIPXUXJBW-JTQLQIEISA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N(C)C(C)C ZINC000764202118 584926095 /nfs/dbraw/zinc/92/60/95/584926095.db2.gz FHLQIFNMURIURL-SNVBAGLBSA-N 1 2 243.351 0.310 20 0 BCADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N(C)C(C)C ZINC000764202118 584926096 /nfs/dbraw/zinc/92/60/96/584926096.db2.gz FHLQIFNMURIURL-SNVBAGLBSA-N 1 2 243.351 0.310 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1cncnc1 ZINC000350127459 584928577 /nfs/dbraw/zinc/92/85/77/584928577.db2.gz YWSMMNBSTWZEGK-UHFFFAOYSA-N 1 2 208.265 0.172 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1cncnc1 ZINC000350127459 584928578 /nfs/dbraw/zinc/92/85/78/584928578.db2.gz YWSMMNBSTWZEGK-UHFFFAOYSA-N 1 2 208.265 0.172 20 0 BCADLO CCC/C=C\C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732149890 584934107 /nfs/dbraw/zinc/93/41/07/584934107.db2.gz SWYAFQMQORGHJE-ZHRWSRJISA-N 1 2 239.363 0.705 20 0 BCADLO CCC/C=C\C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732149890 584934108 /nfs/dbraw/zinc/93/41/08/584934108.db2.gz SWYAFQMQORGHJE-ZHRWSRJISA-N 1 2 239.363 0.705 20 0 BCADLO Cc1[nH]c(C(=O)NC[C@H](O)c2ccco2)c[nH+]1 ZINC000732271693 584935171 /nfs/dbraw/zinc/93/51/71/584935171.db2.gz OVQIKNWEKWMFSK-VIFPVBQESA-N 1 2 235.243 0.775 20 0 BCADLO CC[C@H](O)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000837811826 584938824 /nfs/dbraw/zinc/93/88/24/584938824.db2.gz WEXOSOUPMJXXNE-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO CC[C@H](O)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000837811826 584938825 /nfs/dbraw/zinc/93/88/25/584938825.db2.gz WEXOSOUPMJXXNE-QWRGUYRKSA-N 1 2 245.319 0.411 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)CCn1cccn1 ZINC000788047256 584939249 /nfs/dbraw/zinc/93/92/49/584939249.db2.gz NMXJWSKOCYYGNV-UHFFFAOYSA-N 1 2 248.286 0.793 20 0 BCADLO COC(C)(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800164030 584942298 /nfs/dbraw/zinc/94/22/98/584942298.db2.gz DYHQIPJTUKYKAO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO COC(C)(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800164030 584942299 /nfs/dbraw/zinc/94/22/99/584942299.db2.gz DYHQIPJTUKYKAO-SNVBAGLBSA-N 1 2 245.319 0.675 20 0 BCADLO C[NH+]1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000733886280 584954148 /nfs/dbraw/zinc/95/41/48/584954148.db2.gz OPZBBPBAAFSPCX-UHFFFAOYSA-N 1 2 212.293 0.376 20 0 BCADLO CC[NH+]1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000733885704 584954214 /nfs/dbraw/zinc/95/42/14/584954214.db2.gz CTCGMOROAFVJEI-UHFFFAOYSA-N 1 2 226.320 0.766 20 0 BCADLO CC[S@](=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000733962249 584955604 /nfs/dbraw/zinc/95/56/04/584955604.db2.gz JRBLFKBGDMKFLH-INIZCTEOSA-N 1 2 243.332 0.158 20 0 BCADLO CO[C@@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000734148723 584957632 /nfs/dbraw/zinc/95/76/32/584957632.db2.gz JBMNPVJQBCUURP-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO CO[C@@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000734148723 584957633 /nfs/dbraw/zinc/95/76/33/584957633.db2.gz JBMNPVJQBCUURP-SECBINFHSA-N 1 2 211.265 0.989 20 0 BCADLO O=C(C1=COCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000734126284 584958484 /nfs/dbraw/zinc/95/84/84/584958484.db2.gz SGSGUUJEVRYWAH-UHFFFAOYSA-N 1 2 246.266 0.975 20 0 BCADLO Cc1noc([C@H](C)[NH2+]CCc2c[nH]nn2)n1 ZINC000735024343 584971831 /nfs/dbraw/zinc/97/18/31/584971831.db2.gz FAGJHIXVVYUXSG-LURJTMIESA-N 1 2 222.252 0.389 20 0 BCADLO C[C@H]1c2cccn2CC[N@H+]1CCS(N)(=O)=O ZINC000735884402 584983258 /nfs/dbraw/zinc/98/32/58/584983258.db2.gz ZXSYLLOHOOBSIH-VIFPVBQESA-N 1 2 243.332 0.153 20 0 BCADLO C[C@H]1c2cccn2CC[N@@H+]1CCS(N)(=O)=O ZINC000735884402 584983259 /nfs/dbraw/zinc/98/32/59/584983259.db2.gz ZXSYLLOHOOBSIH-VIFPVBQESA-N 1 2 243.332 0.153 20 0 BCADLO Cc1ncc(C[N@H+](C)CCS(N)(=O)=O)s1 ZINC000735883932 584983427 /nfs/dbraw/zinc/98/34/27/584983427.db2.gz PIGUWHOMWZLFJP-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO Cc1ncc(C[N@@H+](C)CCS(N)(=O)=O)s1 ZINC000735883932 584983428 /nfs/dbraw/zinc/98/34/28/584983428.db2.gz PIGUWHOMWZLFJP-UHFFFAOYSA-N 1 2 249.361 0.172 20 0 BCADLO Cn1ccnc1C(=O)NCCNc1cccc[nH+]1 ZINC000735925595 584984331 /nfs/dbraw/zinc/98/43/31/584984331.db2.gz LGYUQXSXUNVLDX-UHFFFAOYSA-N 1 2 245.286 0.657 20 0 BCADLO Cc1nonc1CNC(=O)CCn1cc[nH+]c1 ZINC000736150604 584990757 /nfs/dbraw/zinc/99/07/57/584990757.db2.gz QYOZXBJSXIJPLY-UHFFFAOYSA-N 1 2 235.247 0.281 20 0 BCADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409804 585003326 /nfs/dbraw/zinc/00/33/26/585003326.db2.gz YETSVPBOGAORQD-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000771409804 585003327 /nfs/dbraw/zinc/00/33/27/585003327.db2.gz YETSVPBOGAORQD-VHSXEESVSA-N 1 2 249.314 0.992 20 0 BCADLO COCC[C@H](C)O[NH+]=C(N)[C@@H](C)OC ZINC000755945160 585004681 /nfs/dbraw/zinc/00/46/81/585004681.db2.gz MNACRQFLCQVLRA-JGVFFNPUSA-N 1 2 204.270 0.945 20 0 BCADLO Cc1nonc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000736673165 585009331 /nfs/dbraw/zinc/00/93/31/585009331.db2.gz GCKMSGVOFOSFED-UHFFFAOYSA-N 1 2 221.220 0.373 20 0 BCADLO CC(=O)NCC(=O)OCc1ccc(C)[nH+]c1C ZINC000771888202 585011040 /nfs/dbraw/zinc/01/10/40/585011040.db2.gz GLVVLEKAIWKQCI-UHFFFAOYSA-N 1 2 236.271 0.878 20 0 BCADLO CC(C)[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108125 585023736 /nfs/dbraw/zinc/02/37/36/585023736.db2.gz VBYZVJRWOXLKSX-VIFPVBQESA-N 1 2 211.265 0.053 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108124 585023758 /nfs/dbraw/zinc/02/37/58/585023758.db2.gz VBYZVJRWOXLKSX-SECBINFHSA-N 1 2 211.265 0.053 20 0 BCADLO CCO[C@H](CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114533 585024052 /nfs/dbraw/zinc/02/40/52/585024052.db2.gz OIQYAYQPQMSLOD-SNVBAGLBSA-N 1 2 225.292 0.851 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N=c1sccn1C ZINC000788276605 585029476 /nfs/dbraw/zinc/02/94/76/585029476.db2.gz ADMCVLDZNUYNOK-UHFFFAOYSA-N 1 2 236.300 0.788 20 0 BCADLO CCn1ncc(C[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000838795709 585068790 /nfs/dbraw/zinc/06/87/90/585068790.db2.gz DKZUNJGPJIVVRH-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCC[C@H](OC)C2)n1 ZINC000838795709 585068791 /nfs/dbraw/zinc/06/87/91/585068791.db2.gz DKZUNJGPJIVVRH-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000838842814 585074218 /nfs/dbraw/zinc/07/42/18/585074218.db2.gz WUXSDAHIZAZIKC-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000838842814 585074219 /nfs/dbraw/zinc/07/42/19/585074219.db2.gz WUXSDAHIZAZIKC-SNVBAGLBSA-N 1 2 224.308 0.909 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H](O)C1CC1 ZINC000838958358 585080789 /nfs/dbraw/zinc/08/07/89/585080789.db2.gz JNHXGHFNNRWHCZ-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H](O)C1CC1 ZINC000838958358 585080790 /nfs/dbraw/zinc/08/07/90/585080790.db2.gz JNHXGHFNNRWHCZ-IUCAKERBSA-N 1 2 221.247 0.459 20 0 BCADLO CCC[N@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000739847931 585082084 /nfs/dbraw/zinc/08/20/84/585082084.db2.gz YQFQLATUNFUGCZ-UHFFFAOYSA-N 1 2 239.275 0.329 20 0 BCADLO CCC[N@@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000739847931 585082085 /nfs/dbraw/zinc/08/20/85/585082085.db2.gz YQFQLATUNFUGCZ-UHFFFAOYSA-N 1 2 239.275 0.329 20 0 BCADLO CCn1ncc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000838988650 585084544 /nfs/dbraw/zinc/08/45/44/585084544.db2.gz BYVDBNYTTJAUSG-SECBINFHSA-N 1 2 249.318 0.151 20 0 BCADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000839027698 585088223 /nfs/dbraw/zinc/08/82/23/585088223.db2.gz OWIPWAYYZSSPSB-IONNQARKSA-N 1 2 223.263 0.705 20 0 BCADLO CCn1ncc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000839090205 585090529 /nfs/dbraw/zinc/09/05/29/585090529.db2.gz OSEDDNXXSQOBBQ-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000839090205 585090530 /nfs/dbraw/zinc/09/05/30/585090530.db2.gz OSEDDNXXSQOBBQ-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCn1ncc(C[NH2+][C@H]2CC(=O)N(CC)C2)n1 ZINC000839128391 585093806 /nfs/dbraw/zinc/09/38/06/585093806.db2.gz DWYDNXLJTMWDTP-VIFPVBQESA-N 1 2 237.307 0.008 20 0 BCADLO CC(C)C1(O)C[NH+](Cc2cnc3cnccn23)C1 ZINC000839133262 585094223 /nfs/dbraw/zinc/09/42/23/585094223.db2.gz NMGPCXKCVIZASK-UHFFFAOYSA-N 1 2 246.314 0.932 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2=O)C12CCC2 ZINC000839191033 585097576 /nfs/dbraw/zinc/09/75/76/585097576.db2.gz NDVJFDJXYKLSJW-OPRDCNLKSA-N 1 2 225.288 0.849 20 0 BCADLO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000839191030 585097615 /nfs/dbraw/zinc/09/76/15/585097615.db2.gz NDVJFDJXYKLSJW-IVZWLZJFSA-N 1 2 225.288 0.849 20 0 BCADLO CCn1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000839193725 585097740 /nfs/dbraw/zinc/09/77/40/585097740.db2.gz WOHMSKWTXOYYTG-UWVGGRQHSA-N 1 2 224.333 0.988 20 0 BCADLO CCn1ncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000839193725 585097741 /nfs/dbraw/zinc/09/77/41/585097741.db2.gz WOHMSKWTXOYYTG-UWVGGRQHSA-N 1 2 224.333 0.988 20 0 BCADLO C[C@H](C(=O)OCCO)[N@@H+]1CCc2ccccc2C1 ZINC000740984597 585109206 /nfs/dbraw/zinc/10/92/06/585109206.db2.gz CLJAVTKUDVOGTG-LLVKDONJSA-N 1 2 249.310 0.969 20 0 BCADLO C[C@H](C(=O)OCCO)[N@H+]1CCc2ccccc2C1 ZINC000740984597 585109207 /nfs/dbraw/zinc/10/92/07/585109207.db2.gz CLJAVTKUDVOGTG-LLVKDONJSA-N 1 2 249.310 0.969 20 0 BCADLO CC(C)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147007 585110185 /nfs/dbraw/zinc/11/01/85/585110185.db2.gz SFYOLCDLGAWIRN-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CC(C)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147007 585110186 /nfs/dbraw/zinc/11/01/86/585110186.db2.gz SFYOLCDLGAWIRN-JTQLQIEISA-N 1 2 242.319 0.539 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(C)=O ZINC000741149867 585110634 /nfs/dbraw/zinc/11/06/34/585110634.db2.gz WEIJCVNHBBNPLK-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(C)=O ZINC000741149867 585110635 /nfs/dbraw/zinc/11/06/35/585110635.db2.gz WEIJCVNHBBNPLK-SNVBAGLBSA-N 1 2 213.277 0.993 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC000741247023 585111590 /nfs/dbraw/zinc/11/15/90/585111590.db2.gz MITDGZQPZKKFAR-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC000741247023 585111591 /nfs/dbraw/zinc/11/15/91/585111591.db2.gz MITDGZQPZKKFAR-LLVKDONJSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H](CNC(=O)c1nccn1C)Cn1cc[nH+]c1 ZINC000741259977 585112009 /nfs/dbraw/zinc/11/20/09/585112009.db2.gz AMOFRVXXSXLZLM-SNVBAGLBSA-N 1 2 247.302 0.683 20 0 BCADLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CC)CCO1 ZINC000741388639 585113279 /nfs/dbraw/zinc/11/32/79/585113279.db2.gz PUVDLKFUVDIHIK-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC)CCO1 ZINC000741388639 585113280 /nfs/dbraw/zinc/11/32/80/585113280.db2.gz PUVDLKFUVDIHIK-VHSXEESVSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cn2cccnc2n1 ZINC000741786617 585118983 /nfs/dbraw/zinc/11/89/83/585118983.db2.gz GJHHQAMHINUNGI-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cn2cccnc2n1 ZINC000741786617 585118984 /nfs/dbraw/zinc/11/89/84/585118984.db2.gz GJHHQAMHINUNGI-UHFFFAOYSA-N 1 2 247.302 0.297 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742195063 585122769 /nfs/dbraw/zinc/12/27/69/585122769.db2.gz FDMVRNHERMXGMX-BDAKNGLRSA-N 1 2 216.350 0.900 20 0 BCADLO CS[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742195063 585122770 /nfs/dbraw/zinc/12/27/70/585122770.db2.gz FDMVRNHERMXGMX-BDAKNGLRSA-N 1 2 216.350 0.900 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)C1=CCCCO1 ZINC000742252235 585123713 /nfs/dbraw/zinc/12/37/13/585123713.db2.gz QPOFBVWPSQRWQW-UHFFFAOYSA-N 1 2 221.260 0.731 20 0 BCADLO CNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000742364033 585124749 /nfs/dbraw/zinc/12/47/49/585124749.db2.gz UTBSWQYHTZGACP-QMMMGPOBSA-N 1 2 231.296 0.292 20 0 BCADLO COC(=O)c1cnoc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348829 585133770 /nfs/dbraw/zinc/13/37/70/585133770.db2.gz UAGQYUZBLKQGMN-OCAPTIKFSA-N 1 2 222.244 0.913 20 0 BCADLO COC(=O)c1cnoc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348829 585133771 /nfs/dbraw/zinc/13/37/71/585133771.db2.gz UAGQYUZBLKQGMN-OCAPTIKFSA-N 1 2 222.244 0.913 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1CC1 ZINC000745080906 585156181 /nfs/dbraw/zinc/15/61/81/585156181.db2.gz YFGLSIAZSJDVBD-SNVBAGLBSA-N 1 2 225.288 0.993 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1CC1 ZINC000745080906 585156182 /nfs/dbraw/zinc/15/61/82/585156182.db2.gz YFGLSIAZSJDVBD-SNVBAGLBSA-N 1 2 225.288 0.993 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081313 585156374 /nfs/dbraw/zinc/15/63/74/585156374.db2.gz GMKJYTSRGUMTAH-RKDXNWHRSA-N 1 2 229.276 0.575 20 0 BCADLO COC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081313 585156375 /nfs/dbraw/zinc/15/63/75/585156375.db2.gz GMKJYTSRGUMTAH-RKDXNWHRSA-N 1 2 229.276 0.575 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745084351 585156555 /nfs/dbraw/zinc/15/65/55/585156555.db2.gz SQSRBKOMORKWLA-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCOC1=O ZINC000745084351 585156556 /nfs/dbraw/zinc/15/65/56/585156556.db2.gz SQSRBKOMORKWLA-VHSXEESVSA-N 1 2 241.287 0.720 20 0 BCADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1=O ZINC000745085924 585156573 /nfs/dbraw/zinc/15/65/73/585156573.db2.gz PFOOFEFNYYRYCA-IUCAKERBSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCOC1=O ZINC000745085924 585156574 /nfs/dbraw/zinc/15/65/74/585156574.db2.gz PFOOFEFNYYRYCA-IUCAKERBSA-N 1 2 227.260 0.329 20 0 BCADLO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCOC1=O ZINC000745983580 585162510 /nfs/dbraw/zinc/16/25/10/585162510.db2.gz YHYPFLKJSROBSM-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCOC1=O ZINC000745983580 585162511 /nfs/dbraw/zinc/16/25/11/585162511.db2.gz YHYPFLKJSROBSM-VHSXEESVSA-N 1 2 213.277 0.803 20 0 BCADLO C[C@@H](CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC000746225647 585165742 /nfs/dbraw/zinc/16/57/42/585165742.db2.gz ZEXKDNOBPDIIHI-VIFPVBQESA-N 1 2 233.271 0.835 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000746243441 585166391 /nfs/dbraw/zinc/16/63/91/585166391.db2.gz WEQFJDWWOZDAFN-UHFFFAOYSA-N 1 2 223.276 0.684 20 0 BCADLO CC(C)(C)C(=O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000746264675 585166546 /nfs/dbraw/zinc/16/65/46/585166546.db2.gz HIDNVEWKHRQQFB-UHFFFAOYSA-N 1 2 235.287 0.882 20 0 BCADLO CC(C)(C)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789627090 585178269 /nfs/dbraw/zinc/17/82/69/585178269.db2.gz LLFIASRHRQBRFU-QMMMGPOBSA-N 1 2 243.307 0.579 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000747529840 585180236 /nfs/dbraw/zinc/18/02/36/585180236.db2.gz RHAYCLWQJJBSCK-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000747529840 585180237 /nfs/dbraw/zinc/18/02/37/585180237.db2.gz RHAYCLWQJJBSCK-JTQLQIEISA-N 1 2 241.335 0.064 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C1=COCCC1 ZINC000747698609 585182452 /nfs/dbraw/zinc/18/24/52/585182452.db2.gz AFJGFGPSPMQTHI-UHFFFAOYSA-N 1 2 241.287 0.556 20 0 BCADLO COCCOCCC(=O)OCc1c[nH+]cn1C ZINC000747784926 585184192 /nfs/dbraw/zinc/18/41/92/585184192.db2.gz WCIMVIRXVYEFJC-UHFFFAOYSA-N 1 2 242.275 0.516 20 0 BCADLO Cn1cc(/C=C/C(=O)OCc2c[nH+]cn2C)cn1 ZINC000747784318 585184435 /nfs/dbraw/zinc/18/44/35/585184435.db2.gz YTFLBAHDKAJNLO-ONEGZZNKSA-N 1 2 246.270 0.910 20 0 BCADLO CC1=C(C(=O)NCc2c[nH+]c[nH]2)C(=O)OC1(C)C ZINC000748322575 585190594 /nfs/dbraw/zinc/19/05/94/585190594.db2.gz PRVNHLAPFPOYBF-UHFFFAOYSA-N 1 2 249.270 0.678 20 0 BCADLO CC1=C(C(=O)NCc2c[nH]c[nH+]2)C(=O)OC1(C)C ZINC000748322575 585190595 /nfs/dbraw/zinc/19/05/95/585190595.db2.gz PRVNHLAPFPOYBF-UHFFFAOYSA-N 1 2 249.270 0.678 20 0 BCADLO CO[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000748313194 585190783 /nfs/dbraw/zinc/19/07/83/585190783.db2.gz ZNLSJGUDYROJBC-ZETCQYMHSA-N 1 2 210.233 0.573 20 0 BCADLO COc1ncc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000748404677 585192593 /nfs/dbraw/zinc/19/25/93/585192593.db2.gz BXZBUEUTJNEXIZ-UHFFFAOYSA-N 1 2 247.258 0.447 20 0 BCADLO COCCONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000749257648 585200916 /nfs/dbraw/zinc/20/09/16/585200916.db2.gz KVVHGHRHXRANLA-SECBINFHSA-N 1 2 239.275 0.140 20 0 BCADLO COC(=O)C(C)(C)[N@H+](C)CCN1CCOC1=O ZINC000749292875 585200988 /nfs/dbraw/zinc/20/09/88/585200988.db2.gz WDJGCGPGRFKPFA-UHFFFAOYSA-N 1 2 244.291 0.322 20 0 BCADLO COC(=O)C(C)(C)[N@@H+](C)CCN1CCOC1=O ZINC000749292875 585200989 /nfs/dbraw/zinc/20/09/89/585200989.db2.gz WDJGCGPGRFKPFA-UHFFFAOYSA-N 1 2 244.291 0.322 20 0 BCADLO CC[C@@]1(C)COCC[N@@H+]1CCS(=O)(=O)CC ZINC000839530795 585205299 /nfs/dbraw/zinc/20/52/99/585205299.db2.gz ADNKZYRFYBZJQF-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[C@@]1(C)COCC[N@H+]1CCS(=O)(=O)CC ZINC000839530795 585205300 /nfs/dbraw/zinc/20/53/00/585205300.db2.gz ADNKZYRFYBZJQF-NSHDSACASA-N 1 2 249.376 0.922 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1c(C)nn(C)c1C ZINC000750283619 585212745 /nfs/dbraw/zinc/21/27/45/585212745.db2.gz GFFHTACNIXSULX-UHFFFAOYSA-N 1 2 238.335 0.605 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1c(C)nn(C)c1C ZINC000750283619 585212746 /nfs/dbraw/zinc/21/27/46/585212746.db2.gz GFFHTACNIXSULX-UHFFFAOYSA-N 1 2 238.335 0.605 20 0 BCADLO CC(C)OCCS(=O)(=O)Cc1[nH+]ccn1C ZINC000750537627 585217285 /nfs/dbraw/zinc/21/72/85/585217285.db2.gz LUXSZJOVFJUAJH-UHFFFAOYSA-N 1 2 246.332 0.760 20 0 BCADLO COCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886945869 585223464 /nfs/dbraw/zinc/22/34/64/585223464.db2.gz CJJDYSKOFZHBBZ-ZJUUUORDSA-N 1 2 231.292 0.333 20 0 BCADLO CS/C=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000751460824 585230438 /nfs/dbraw/zinc/23/04/38/585230438.db2.gz BPKAOJPIDOKAKR-SIUBYYJGSA-N 1 2 244.360 0.700 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000752093815 585242514 /nfs/dbraw/zinc/24/25/14/585242514.db2.gz PJQDPSPQMVEMMG-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000752093815 585242515 /nfs/dbraw/zinc/24/25/15/585242515.db2.gz PJQDPSPQMVEMMG-AOOOYVTPSA-N 1 2 242.706 0.663 20 0 BCADLO CC(C)(C)C(=O)C(=O)NCC[NH+]1CCC1 ZINC000752295371 585244650 /nfs/dbraw/zinc/24/46/50/585244650.db2.gz HWSZGAKMIXXWQT-UHFFFAOYSA-N 1 2 212.293 0.424 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)[C@H](O)C(C)(C)C ZINC000752953930 585251937 /nfs/dbraw/zinc/25/19/37/585251937.db2.gz QERNHGNFUSNFGT-VIFPVBQESA-N 1 2 225.292 0.443 20 0 BCADLO CC(=O)OC1CC[NH+](Cc2nonc2C)CC1 ZINC000753183962 585255055 /nfs/dbraw/zinc/25/50/55/585255055.db2.gz YEYAPMQMVWHLTR-UHFFFAOYSA-N 1 2 239.275 0.906 20 0 BCADLO COCCCONC(=O)CCCn1cc[nH+]c1 ZINC000805037382 585256491 /nfs/dbraw/zinc/25/64/91/585256491.db2.gz ABYFUYSOMNCNKY-UHFFFAOYSA-N 1 2 241.291 0.748 20 0 BCADLO CCON(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000753476915 585259550 /nfs/dbraw/zinc/25/95/50/585259550.db2.gz XLGHBBQJRFAYLY-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CCON(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000753476915 585259551 /nfs/dbraw/zinc/25/95/51/585259551.db2.gz XLGHBBQJRFAYLY-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000753766491 585268331 /nfs/dbraw/zinc/26/83/31/585268331.db2.gz SWWOMGVXSWSUDE-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000753766491 585268332 /nfs/dbraw/zinc/26/83/32/585268332.db2.gz SWWOMGVXSWSUDE-NSHDSACASA-N 1 2 247.360 0.865 20 0 BCADLO CCC(=O)CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000753766487 585268336 /nfs/dbraw/zinc/26/83/36/585268336.db2.gz SWWOMGVXSWSUDE-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO CCC(=O)CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000753766487 585268337 /nfs/dbraw/zinc/26/83/37/585268337.db2.gz SWWOMGVXSWSUDE-LLVKDONJSA-N 1 2 247.360 0.865 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753807611 585269933 /nfs/dbraw/zinc/26/99/33/585269933.db2.gz IKHDDRHSMRMFHL-GARJFASQSA-N 1 2 245.319 0.674 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753807611 585269934 /nfs/dbraw/zinc/26/99/34/585269934.db2.gz IKHDDRHSMRMFHL-GARJFASQSA-N 1 2 245.319 0.674 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCC1(C)COC1 ZINC000754296854 585282408 /nfs/dbraw/zinc/28/24/08/585282408.db2.gz WTXISMDCXHIFFR-ZETCQYMHSA-N 1 2 202.254 0.556 20 0 BCADLO CCOC(=O)C[N@H+](C)CCC1OCCCO1 ZINC000754639267 585288279 /nfs/dbraw/zinc/28/82/79/585288279.db2.gz GZWRPRFZUBYXIE-UHFFFAOYSA-N 1 2 231.292 0.634 20 0 BCADLO CCOC(=O)C[N@@H+](C)CCC1OCCCO1 ZINC000754639267 585288280 /nfs/dbraw/zinc/28/82/80/585288280.db2.gz GZWRPRFZUBYXIE-UHFFFAOYSA-N 1 2 231.292 0.634 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(OC)nc1 ZINC000754651181 585288573 /nfs/dbraw/zinc/28/85/73/585288573.db2.gz IPJVTSOHQMLNAC-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(OC)nc1 ZINC000754651181 585288574 /nfs/dbraw/zinc/28/85/74/585288574.db2.gz IPJVTSOHQMLNAC-UHFFFAOYSA-N 1 2 237.303 0.658 20 0 BCADLO CC[C@@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000754683575 585289324 /nfs/dbraw/zinc/28/93/24/585289324.db2.gz IJLIOJLZPQHABP-SECBINFHSA-N 1 2 212.249 0.888 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1c[nH]c(C(N)=O)c1 ZINC000754684433 585289536 /nfs/dbraw/zinc/28/95/36/585289536.db2.gz MXODSBQLLKENTA-UHFFFAOYSA-N 1 2 248.242 0.204 20 0 BCADLO COC[C@@H](C)CC(=O)NC1=[NH+]CCS1 ZINC000755061070 585294109 /nfs/dbraw/zinc/29/41/09/585294109.db2.gz CBVHZPVHMQFBQD-ZETCQYMHSA-N 1 2 216.306 0.878 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)OCCF)[C@@H](C)CO1 ZINC000859219838 589020699 /nfs/dbraw/zinc/02/06/99/589020699.db2.gz JFUPDJNDXGJXKG-VHSXEESVSA-N 1 2 248.298 0.791 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)OCCF)[C@@H](C)CO1 ZINC000859219838 589020700 /nfs/dbraw/zinc/02/07/00/589020700.db2.gz JFUPDJNDXGJXKG-VHSXEESVSA-N 1 2 248.298 0.791 20 0 BCADLO Cn1c[nH+]cc1[C@H]1NC2(CCCC2)C(=O)N1C ZINC000755415942 585299178 /nfs/dbraw/zinc/29/91/78/585299178.db2.gz KMSZONKGULDCIY-JTQLQIEISA-N 1 2 234.303 0.793 20 0 BCADLO COC(=O)c1ncn(C[N@H+]2CC=C(C)CC2)n1 ZINC000755769260 585306279 /nfs/dbraw/zinc/30/62/79/585306279.db2.gz UWPGUVIHLGAGGS-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO COC(=O)c1ncn(C[N@@H+]2CC=C(C)CC2)n1 ZINC000755769260 585306280 /nfs/dbraw/zinc/30/62/80/585306280.db2.gz UWPGUVIHLGAGGS-UHFFFAOYSA-N 1 2 236.275 0.674 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1nccc(C)n1 ZINC000755821133 585308183 /nfs/dbraw/zinc/30/81/83/585308183.db2.gz ZBAKRTNJBVYLBV-QMMMGPOBSA-N 1 2 224.264 0.818 20 0 BCADLO CCC1(C(=O)OCC[NH+]2CCOCC2)COC1 ZINC000756560929 585321207 /nfs/dbraw/zinc/32/12/07/585321207.db2.gz NBDXBAPQVUSEST-UHFFFAOYSA-N 1 2 243.303 0.288 20 0 BCADLO CC1=CC[N@H+](CCS(C)(=O)=O)CC1 ZINC000756634011 585321993 /nfs/dbraw/zinc/32/19/93/585321993.db2.gz CYRXRYAXQLRBPJ-UHFFFAOYSA-N 1 2 203.307 0.683 20 0 BCADLO CC1=CC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000756634011 585321994 /nfs/dbraw/zinc/32/19/94/585321994.db2.gz CYRXRYAXQLRBPJ-UHFFFAOYSA-N 1 2 203.307 0.683 20 0 BCADLO O=C(CCn1cc[nH+]c1)N[C@@H](CCO)C1CC1 ZINC000757074892 585327740 /nfs/dbraw/zinc/32/77/40/585327740.db2.gz ZOXQOUUALVHCLY-NSHDSACASA-N 1 2 237.303 0.550 20 0 BCADLO CON(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000757655527 585343668 /nfs/dbraw/zinc/34/36/68/585343668.db2.gz OTVWNBFQPHRZSF-LLVKDONJSA-N 1 2 242.319 0.650 20 0 BCADLO CON(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000757655527 585343669 /nfs/dbraw/zinc/34/36/69/585343669.db2.gz OTVWNBFQPHRZSF-LLVKDONJSA-N 1 2 242.319 0.650 20 0 BCADLO C[C@@H]1CC[N@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758321281 585353783 /nfs/dbraw/zinc/35/37/83/585353783.db2.gz ZRINFGIUKJSALK-SECBINFHSA-N 1 2 233.275 0.190 20 0 BCADLO C[C@@H]1CC[N@@H+](Cn2nc3cnccn3c2=O)C1 ZINC000758321281 585353784 /nfs/dbraw/zinc/35/37/84/585353784.db2.gz ZRINFGIUKJSALK-SECBINFHSA-N 1 2 233.275 0.190 20 0 BCADLO C[N@H+](Cn1nc2cnccn2c1=O)C1CCC1 ZINC000758340482 585353875 /nfs/dbraw/zinc/35/38/75/585353875.db2.gz VVFKDCQBVNPEOO-UHFFFAOYSA-N 1 2 233.275 0.333 20 0 BCADLO C[N@@H+](Cn1nc2cnccn2c1=O)C1CCC1 ZINC000758340482 585353876 /nfs/dbraw/zinc/35/38/76/585353876.db2.gz VVFKDCQBVNPEOO-UHFFFAOYSA-N 1 2 233.275 0.333 20 0 BCADLO CCOCC[S@@](=O)Cc1c[nH+]cn1C ZINC000758414688 585355768 /nfs/dbraw/zinc/35/57/68/585355768.db2.gz QXVYQSGWEYHGQN-CQSZACIVSA-N 1 2 216.306 0.705 20 0 BCADLO Cn1ncnc1SCC[NH+]1CCOCC1 ZINC000758414146 585355788 /nfs/dbraw/zinc/35/57/88/585355788.db2.gz BMZZTYUIBIJNPS-UHFFFAOYSA-N 1 2 228.321 0.239 20 0 BCADLO CN1CN(C(=O)c2cccc3[nH+]ccn32)CC1=O ZINC000758501839 585356592 /nfs/dbraw/zinc/35/65/92/585356592.db2.gz IELIKWFXUHEOGN-UHFFFAOYSA-N 1 2 244.254 0.206 20 0 BCADLO COC(=O)[C@@H]([NH2+]CCC1(C)OCCO1)C1CC1 ZINC000759021530 585363755 /nfs/dbraw/zinc/36/37/55/585363755.db2.gz XMCMQFZOQPGFEN-JTQLQIEISA-N 1 2 243.303 0.681 20 0 BCADLO CCS(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000759331229 585367270 /nfs/dbraw/zinc/36/72/70/585367270.db2.gz XLRCHRCDUDBRDO-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759331229 585367271 /nfs/dbraw/zinc/36/72/71/585367271.db2.gz XLRCHRCDUDBRDO-SECBINFHSA-N 1 2 238.328 0.360 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000759367423 585371268 /nfs/dbraw/zinc/37/12/68/585371268.db2.gz YQOBKASCICCFMG-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000759367423 585371269 /nfs/dbraw/zinc/37/12/69/585371269.db2.gz YQOBKASCICCFMG-JTQLQIEISA-N 1 2 235.349 0.532 20 0 BCADLO CC[C@H](O)C[N@H+](C)CCS(=O)(=O)CC ZINC000759374105 585371616 /nfs/dbraw/zinc/37/16/16/585371616.db2.gz PHTLBRWAHASORS-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO CC[C@H](O)C[N@@H+](C)CCS(=O)(=O)CC ZINC000759374105 585371617 /nfs/dbraw/zinc/37/16/17/585371617.db2.gz PHTLBRWAHASORS-VIFPVBQESA-N 1 2 223.338 0.124 20 0 BCADLO COCc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=O)o1 ZINC000759733615 585379592 /nfs/dbraw/zinc/37/95/92/585379592.db2.gz NRNYCQLRZDSGPG-RKDXNWHRSA-N 1 2 241.291 0.671 20 0 BCADLO COCc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=O)o1 ZINC000759733615 585379593 /nfs/dbraw/zinc/37/95/93/585379593.db2.gz NRNYCQLRZDSGPG-RKDXNWHRSA-N 1 2 241.291 0.671 20 0 BCADLO CC[C@H]1CCC[N@@H+]1Cn1nc(COC)oc1=O ZINC000759733790 585379639 /nfs/dbraw/zinc/37/96/39/585379639.db2.gz YSXDLXLCRLMQTG-VIFPVBQESA-N 1 2 241.291 0.815 20 0 BCADLO CC[C@H]1CCC[N@H+]1Cn1nc(COC)oc1=O ZINC000759733790 585379640 /nfs/dbraw/zinc/37/96/40/585379640.db2.gz YSXDLXLCRLMQTG-VIFPVBQESA-N 1 2 241.291 0.815 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CC(O)C1 ZINC000760178694 585386198 /nfs/dbraw/zinc/38/61/98/585386198.db2.gz WCWMYGIKWXYKQE-UHFFFAOYSA-N 1 2 217.228 0.151 20 0 BCADLO O=C(OCCn1cc[nH+]c1)c1cncnc1 ZINC000760804780 585397450 /nfs/dbraw/zinc/39/74/50/585397450.db2.gz OFMPPQVPIMPJKR-UHFFFAOYSA-N 1 2 218.216 0.530 20 0 BCADLO CNC(=O)C1([NH2+]Cc2ncc(C)cn2)CCCC1 ZINC000760857396 585399940 /nfs/dbraw/zinc/39/99/40/585399940.db2.gz OXZFRGOYEQJGAO-UHFFFAOYSA-N 1 2 248.330 0.933 20 0 BCADLO CC[C@](C)([NH2+]CCc1cn(C)nn1)C(=O)OC ZINC000859222578 589021701 /nfs/dbraw/zinc/02/17/01/589021701.db2.gz YHSGCICFBINZMJ-NSHDSACASA-N 1 2 240.307 0.289 20 0 BCADLO CC=CC[C@@H]1NC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000761232376 585412752 /nfs/dbraw/zinc/41/27/52/585412752.db2.gz NUJFYMPTSKKIPE-TYRPZCRBSA-N 1 2 248.286 0.807 20 0 BCADLO COCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000761950485 585423343 /nfs/dbraw/zinc/42/33/43/585423343.db2.gz AINBRGVGJLNVRP-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO COCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000761950485 585423344 /nfs/dbraw/zinc/42/33/44/585423344.db2.gz AINBRGVGJLNVRP-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CN(C)c1cc(Cn2cnccc2=O)cc[nH+]1 ZINC000762481910 585432855 /nfs/dbraw/zinc/43/28/55/585432855.db2.gz VNXJPFUDXJEXRZ-UHFFFAOYSA-N 1 2 230.271 0.753 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926437 585439589 /nfs/dbraw/zinc/43/95/89/585439589.db2.gz STDOFGKGLOOAOH-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926437 585439590 /nfs/dbraw/zinc/43/95/90/585439590.db2.gz STDOFGKGLOOAOH-DTWKUNHWSA-N 1 2 243.307 0.071 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926442 585439799 /nfs/dbraw/zinc/43/97/99/585439799.db2.gz STDOFGKGLOOAOH-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926442 585439800 /nfs/dbraw/zinc/43/98/00/585439800.db2.gz STDOFGKGLOOAOH-IUCAKERBSA-N 1 2 243.307 0.071 20 0 BCADLO Cn1nccc1C(=O)OCCn1cc[nH+]c1 ZINC000763119104 585443397 /nfs/dbraw/zinc/44/33/97/585443397.db2.gz PLCBGXNHIIEBMV-UHFFFAOYSA-N 1 2 220.232 0.474 20 0 BCADLO Nc1nccnc1C(=O)OCCn1cc[nH+]c1 ZINC000763111695 585443459 /nfs/dbraw/zinc/44/34/59/585443459.db2.gz KJNHWDYYHNEAFG-UHFFFAOYSA-N 1 2 233.231 0.112 20 0 BCADLO CCS(=O)(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000763416943 585447604 /nfs/dbraw/zinc/44/76/04/585447604.db2.gz WDDWDDVXEUKEBF-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO CCS(=O)(=O)CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000763416943 585447605 /nfs/dbraw/zinc/44/76/05/585447605.db2.gz WDDWDDVXEUKEBF-SNVBAGLBSA-N 1 2 249.376 0.920 20 0 BCADLO NC(Cc1cccs1)=[NH+]OCCOCCO ZINC000763425195 585448038 /nfs/dbraw/zinc/44/80/38/585448038.db2.gz FEXKLQBOAAEFFO-UHFFFAOYSA-N 1 2 244.316 0.798 20 0 BCADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676072 585451522 /nfs/dbraw/zinc/45/15/22/585451522.db2.gz QWGHUVBEDPUYFJ-MRVPVSSYSA-N 1 2 241.287 0.623 20 0 BCADLO O=C1O[C@H](C[N@H+]2CCc3cn[nH]c3C2)CC12CC2 ZINC000763731777 585453568 /nfs/dbraw/zinc/45/35/68/585453568.db2.gz JOXMZFNGFCVABX-JTQLQIEISA-N 1 2 247.298 0.864 20 0 BCADLO O=C1O[C@@H](C[N@H+]2CCc3cn[nH]c3C2)CC12CC2 ZINC000763731786 585453736 /nfs/dbraw/zinc/45/37/36/585453736.db2.gz JOXMZFNGFCVABX-SNVBAGLBSA-N 1 2 247.298 0.864 20 0 BCADLO CC(C)COC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000763882666 585456129 /nfs/dbraw/zinc/45/61/29/585456129.db2.gz VQOSHGPTZWCPPR-LBPRGKRZSA-N 1 2 245.319 0.269 20 0 BCADLO CC(C)COC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763882666 585456130 /nfs/dbraw/zinc/45/61/30/585456130.db2.gz VQOSHGPTZWCPPR-LBPRGKRZSA-N 1 2 245.319 0.269 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@]1(CO)CCOC1 ZINC000763888114 585456277 /nfs/dbraw/zinc/45/62/77/585456277.db2.gz GBDSDZQUHUYFPI-PWSUYJOCSA-N 1 2 245.319 0.411 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763888114 585456278 /nfs/dbraw/zinc/45/62/78/585456278.db2.gz GBDSDZQUHUYFPI-PWSUYJOCSA-N 1 2 245.319 0.411 20 0 BCADLO COc1cc(N2CC[NH+](CCF)CC2)ncn1 ZINC000763942958 585457410 /nfs/dbraw/zinc/45/74/10/585457410.db2.gz WPEBAQVIVNWDDS-UHFFFAOYSA-N 1 2 240.282 0.577 20 0 BCADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@]12CCOC2 ZINC000764784869 585473410 /nfs/dbraw/zinc/47/34/10/585473410.db2.gz UAYLZEWXBPHJAU-ZYHUDNBSSA-N 1 2 236.271 0.890 20 0 BCADLO O=C(NN1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000765240939 585483265 /nfs/dbraw/zinc/48/32/65/585483265.db2.gz GUPYNYZXAWKKSW-NSHDSACASA-N 1 2 248.330 0.963 20 0 BCADLO O=C(CCn1cc[nH+]c1)Nc1ccnc(CO)c1 ZINC000765290370 585483546 /nfs/dbraw/zinc/48/35/46/585483546.db2.gz NRLVZYNFGWGFLN-UHFFFAOYSA-N 1 2 246.270 0.799 20 0 BCADLO CC(C)C1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000765586778 585490562 /nfs/dbraw/zinc/49/05/62/585490562.db2.gz SUHSVGUXKKXEGG-UHFFFAOYSA-N 1 2 237.303 0.192 20 0 BCADLO CCOC(=O)[C@@H]1C[N@H+](CCCF)CCO1 ZINC000766075895 585497388 /nfs/dbraw/zinc/49/73/88/585497388.db2.gz MYSDYOKAMNHHGB-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO CCOC(=O)[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000766075895 585497389 /nfs/dbraw/zinc/49/73/89/585497389.db2.gz MYSDYOKAMNHHGB-VIFPVBQESA-N 1 2 219.256 0.610 20 0 BCADLO O=C1NCCC[C@@H]1[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000766918179 585511649 /nfs/dbraw/zinc/51/16/49/585511649.db2.gz KHEXZRORSOVLSZ-JTQLQIEISA-N 1 2 249.318 0.263 20 0 BCADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCNC1=O ZINC000767349223 585517065 /nfs/dbraw/zinc/51/70/65/585517065.db2.gz JZCQEHOEUDDPMH-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCNC1=O ZINC000767349223 585517066 /nfs/dbraw/zinc/51/70/66/585517066.db2.gz JZCQEHOEUDDPMH-ZJUUUORDSA-N 1 2 240.303 0.293 20 0 BCADLO COCC[NH+]1CCN(CCC(=O)C2CC2)CC1 ZINC000767355138 585517323 /nfs/dbraw/zinc/51/73/23/585517323.db2.gz QKZSZTAFHNBPMH-UHFFFAOYSA-N 1 2 240.347 0.620 20 0 BCADLO O=C(Cc1ccco1)OCC[NH+]1CCOCC1 ZINC000767516587 585521744 /nfs/dbraw/zinc/52/17/44/585521744.db2.gz SGRABEQIPYGQFJ-UHFFFAOYSA-N 1 2 239.271 0.698 20 0 BCADLO Cc1cc(NC(=O)NCC[S@](C)=O)cc[nH+]1 ZINC000767892711 585527150 /nfs/dbraw/zinc/52/71/50/585527150.db2.gz GVFHMAMYVGKAIQ-INIZCTEOSA-N 1 2 241.316 0.312 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)NCC[S@](C)=O ZINC000767914760 585528166 /nfs/dbraw/zinc/52/81/66/585528166.db2.gz BSPFENDAHNYMOR-INIZCTEOSA-N 1 2 241.316 0.312 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)CCOC)C1=O ZINC000767965398 585529076 /nfs/dbraw/zinc/52/90/76/585529076.db2.gz NHTBCUYRBICZOJ-LBPRGKRZSA-N 1 2 242.319 0.697 20 0 BCADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCOC)C1=O ZINC000767965398 585529077 /nfs/dbraw/zinc/52/90/77/585529077.db2.gz NHTBCUYRBICZOJ-LBPRGKRZSA-N 1 2 242.319 0.697 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1cncs1 ZINC000768300763 585535549 /nfs/dbraw/zinc/53/55/49/585535549.db2.gz DGCFZBCUTDFOGQ-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1cncs1 ZINC000768300763 585535550 /nfs/dbraw/zinc/53/55/50/585535550.db2.gz DGCFZBCUTDFOGQ-UHFFFAOYSA-N 1 2 213.306 0.711 20 0 BCADLO Cc1nonc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768325371 585535801 /nfs/dbraw/zinc/53/58/01/585535801.db2.gz XUBGEJYJGFYVIS-UHFFFAOYSA-N 1 2 249.274 0.737 20 0 BCADLO CC(C)(F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000768444224 585538783 /nfs/dbraw/zinc/53/87/83/585538783.db2.gz WCVJKWCUXDTCNE-JTQLQIEISA-N 1 2 244.310 0.668 20 0 BCADLO Cc1nonc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000768539238 585539876 /nfs/dbraw/zinc/53/98/76/585539876.db2.gz WYVYRSADLWLMEN-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO Cc1nonc1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000768539238 585539877 /nfs/dbraw/zinc/53/98/77/585539877.db2.gz WYVYRSADLWLMEN-UHFFFAOYSA-N 1 2 249.278 0.550 20 0 BCADLO CCN(C)C(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768931225 585546077 /nfs/dbraw/zinc/54/60/77/585546077.db2.gz IXACWGVAXXNYBI-UHFFFAOYSA-N 1 2 245.323 0.778 20 0 BCADLO CCNC(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768929231 585546247 /nfs/dbraw/zinc/54/62/47/585546247.db2.gz DDNBETPMACTOEP-UHFFFAOYSA-N 1 2 231.296 0.436 20 0 BCADLO CC(C)(C)OCC(N)=[NH+]OCCOCCO ZINC000768942529 585546773 /nfs/dbraw/zinc/54/67/73/585546773.db2.gz PZLPDXXUTYRMRA-UHFFFAOYSA-N 1 2 234.296 0.309 20 0 BCADLO CCn1cc(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC000769108303 585549021 /nfs/dbraw/zinc/54/90/21/585549021.db2.gz MQXGQYWYUAJWHH-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO CCn1cc(C[N@H+]2CCCNC(=O)C2)cn1 ZINC000769108303 585549022 /nfs/dbraw/zinc/54/90/22/585549022.db2.gz MQXGQYWYUAJWHH-UHFFFAOYSA-N 1 2 222.292 0.225 20 0 BCADLO COCc1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769105302 585549182 /nfs/dbraw/zinc/54/91/82/585549182.db2.gz AROLOLVMZFELHS-UHFFFAOYSA-N 1 2 238.287 0.748 20 0 BCADLO COCc1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769105302 585549183 /nfs/dbraw/zinc/54/91/83/585549183.db2.gz AROLOLVMZFELHS-UHFFFAOYSA-N 1 2 238.287 0.748 20 0 BCADLO Cc1nn(C)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000769110686 585549377 /nfs/dbraw/zinc/54/93/77/585549377.db2.gz YCZDDKNFTSUZAI-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO Cc1nn(C)cc1C[N@H+]1CCCNC(=O)C1 ZINC000769110686 585549378 /nfs/dbraw/zinc/54/93/78/585549378.db2.gz YCZDDKNFTSUZAI-UHFFFAOYSA-N 1 2 222.292 0.050 20 0 BCADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](O)C1 ZINC000770401819 585573712 /nfs/dbraw/zinc/57/37/12/585573712.db2.gz XJEMIFJDWUAASF-JTQLQIEISA-N 1 2 245.282 0.931 20 0 BCADLO O=C(NCc1c[nH+]c[nH]1)OC1CCOCC1 ZINC000859235714 589023488 /nfs/dbraw/zinc/02/34/88/589023488.db2.gz LVMASIPAHDCWJP-UHFFFAOYSA-N 1 2 225.248 0.815 20 0 BCADLO O=C(NCc1c[nH]c[nH+]1)OC1CCOCC1 ZINC000859235714 589023490 /nfs/dbraw/zinc/02/34/90/589023490.db2.gz LVMASIPAHDCWJP-UHFFFAOYSA-N 1 2 225.248 0.815 20 0 BCADLO O=C(N[C@H](CO)C1CC1)c1ccc2[nH+]ccn2c1 ZINC000771021956 585587601 /nfs/dbraw/zinc/58/76/01/585587601.db2.gz MEDHQCMLWMWYQT-LLVKDONJSA-N 1 2 245.282 0.835 20 0 BCADLO O=C(N[C@H](CO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000771057186 585589256 /nfs/dbraw/zinc/58/92/56/585589256.db2.gz IKHFRQZZEVROCX-ZYHUDNBSSA-N 1 2 249.314 0.333 20 0 BCADLO C[C@@H]1OCC[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000771093796 585590130 /nfs/dbraw/zinc/59/01/30/585590130.db2.gz ZWDPAFOPYCUQRM-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO C/C=C(/C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771563289 585596246 /nfs/dbraw/zinc/59/62/46/585596246.db2.gz WCNOQVYMLYQJRZ-LCKPPEIMSA-N 1 2 238.331 0.886 20 0 BCADLO O=C(CN1CCCC1=O)OCCn1cc[nH+]c1 ZINC000771890125 585603860 /nfs/dbraw/zinc/60/38/60/585603860.db2.gz ACMDTHVDIVNZTR-UHFFFAOYSA-N 1 2 237.259 0.049 20 0 BCADLO O=C(COCC1CC1)OCCn1cc[nH+]c1 ZINC000771910875 585604403 /nfs/dbraw/zinc/60/44/03/585604403.db2.gz LRDGWRFWRKVXMQ-UHFFFAOYSA-N 1 2 224.260 0.853 20 0 BCADLO CCO[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771929791 585604562 /nfs/dbraw/zinc/60/45/62/585604562.db2.gz YQKPKDDNPFWRJG-NXEZZACHSA-N 1 2 224.260 0.851 20 0 BCADLO CC[C@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000771939454 585605207 /nfs/dbraw/zinc/60/52/07/585605207.db2.gz LGJBTPWGFPTCKJ-VIFPVBQESA-N 1 2 212.249 0.851 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000771950212 585605565 /nfs/dbraw/zinc/60/55/65/585605565.db2.gz JDXPFXGUJLKYRD-JTQLQIEISA-N 1 2 224.260 0.853 20 0 BCADLO CCCn1cc(C(=O)OCCn2cc[nH+]c2)nn1 ZINC000772055396 585607694 /nfs/dbraw/zinc/60/76/94/585607694.db2.gz SRSMIHANOIAXIK-UHFFFAOYSA-N 1 2 249.274 0.742 20 0 BCADLO CC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772060208 585607725 /nfs/dbraw/zinc/60/77/25/585607725.db2.gz IZINPSCIWSIOPN-VIFPVBQESA-N 1 2 231.317 0.556 20 0 BCADLO CC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772060208 585607726 /nfs/dbraw/zinc/60/77/26/585607726.db2.gz IZINPSCIWSIOPN-VIFPVBQESA-N 1 2 231.317 0.556 20 0 BCADLO O=C(N1CC[NH+](CCO)CC1)C1(F)CCCC1 ZINC000772115483 585608755 /nfs/dbraw/zinc/60/87/55/585608755.db2.gz ICHCAYQEKJOUQF-UHFFFAOYSA-N 1 2 244.310 0.405 20 0 BCADLO COc1cccc(C[N@H+](C)[C@H](C)C(N)=O)n1 ZINC000772389003 585613963 /nfs/dbraw/zinc/61/39/63/585613963.db2.gz BBCYSHBMIWAJTH-MRVPVSSYSA-N 1 2 223.276 0.396 20 0 BCADLO COc1cccc(C[N@@H+](C)[C@H](C)C(N)=O)n1 ZINC000772389003 585613964 /nfs/dbraw/zinc/61/39/64/585613964.db2.gz BBCYSHBMIWAJTH-MRVPVSSYSA-N 1 2 223.276 0.396 20 0 BCADLO COc1cccc(C[N@H+](C)[C@@H](C)C(N)=O)n1 ZINC000772389010 585613968 /nfs/dbraw/zinc/61/39/68/585613968.db2.gz BBCYSHBMIWAJTH-QMMMGPOBSA-N 1 2 223.276 0.396 20 0 BCADLO COc1cccc(C[N@@H+](C)[C@@H](C)C(N)=O)n1 ZINC000772389010 585613969 /nfs/dbraw/zinc/61/39/69/585613969.db2.gz BBCYSHBMIWAJTH-QMMMGPOBSA-N 1 2 223.276 0.396 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccno2)C1 ZINC000805469543 585621432 /nfs/dbraw/zinc/62/14/32/585621432.db2.gz HISRXTXIZUDZFR-SNVBAGLBSA-N 1 2 240.259 0.439 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccno2)C1 ZINC000805469543 585621433 /nfs/dbraw/zinc/62/14/33/585621433.db2.gz HISRXTXIZUDZFR-SNVBAGLBSA-N 1 2 240.259 0.439 20 0 BCADLO CCc1nnc(CO[NH+]=C(N)[C@@H](C)OC)o1 ZINC000772899064 585626979 /nfs/dbraw/zinc/62/69/79/585626979.db2.gz SBVSIDKHDWCCJM-ZCFIWIBFSA-N 1 2 228.252 0.665 20 0 BCADLO C/C=C/COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805474953 585627473 /nfs/dbraw/zinc/62/74/73/585627473.db2.gz VOUYMDOHEGEOOL-RXNUUUNCSA-N 1 2 213.277 0.826 20 0 BCADLO C/C=C/COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805474953 585627474 /nfs/dbraw/zinc/62/74/74/585627474.db2.gz VOUYMDOHEGEOOL-RXNUUUNCSA-N 1 2 213.277 0.826 20 0 BCADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805479459 585634592 /nfs/dbraw/zinc/63/45/92/585634592.db2.gz PYLDRDOWQIJPEO-KOLCDFICSA-N 1 2 243.303 0.618 20 0 BCADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805479459 585634593 /nfs/dbraw/zinc/63/45/93/585634593.db2.gz PYLDRDOWQIJPEO-KOLCDFICSA-N 1 2 243.303 0.618 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCF)C1 ZINC000805479905 585634892 /nfs/dbraw/zinc/63/48/92/585634892.db2.gz WLOGALTWGASRKN-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCF)C1 ZINC000805479905 585634893 /nfs/dbraw/zinc/63/48/93/585634893.db2.gz WLOGALTWGASRKN-SNVBAGLBSA-N 1 2 233.283 1.000 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)C1CC1 ZINC000773574807 585640706 /nfs/dbraw/zinc/64/07/06/585640706.db2.gz GVUMLPKONQQZKM-VIFPVBQESA-N 1 2 242.344 0.258 20 0 BCADLO NC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)C1CC1 ZINC000773574807 585640707 /nfs/dbraw/zinc/64/07/07/585640707.db2.gz GVUMLPKONQQZKM-VIFPVBQESA-N 1 2 242.344 0.258 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H](O)C(C)(C)C ZINC000773845619 585644745 /nfs/dbraw/zinc/64/47/45/585644745.db2.gz IHOQJOQVPRXAJR-SNVBAGLBSA-N 1 2 239.319 0.486 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC=CO1 ZINC000773850682 585644953 /nfs/dbraw/zinc/64/49/53/585644953.db2.gz DISHLVVPPLEOTC-NSHDSACASA-N 1 2 235.287 0.772 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)C(=O)C(C)(C)C ZINC000773849583 585644983 /nfs/dbraw/zinc/64/49/83/585644983.db2.gz WJSGEQXLHHPFLW-UHFFFAOYSA-N 1 2 237.303 0.694 20 0 BCADLO CCC(C)(C)NC(=S)NN1CC[NH+](C)CC1 ZINC000774140306 585651580 /nfs/dbraw/zinc/65/15/80/585651580.db2.gz XNHYSOJCFDWHKY-UHFFFAOYSA-N 1 2 244.408 0.802 20 0 BCADLO Cc1n[nH]nc1C(=O)OCCn1cc[nH+]c1 ZINC000805546828 585679427 /nfs/dbraw/zinc/67/94/27/585679427.db2.gz NTSLYQUWHTUKCO-UHFFFAOYSA-N 1 2 221.220 0.167 20 0 BCADLO C[C@H]1CCOCC[N@@H+]1Cc1nncn1C ZINC000775570418 585680160 /nfs/dbraw/zinc/68/01/60/585680160.db2.gz LOXSEYXUNMIQEH-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO C[C@H]1CCOCC[N@H+]1Cc1nncn1C ZINC000775570418 585680161 /nfs/dbraw/zinc/68/01/61/585680161.db2.gz LOXSEYXUNMIQEH-VIFPVBQESA-N 1 2 210.281 0.426 20 0 BCADLO CC[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000775867356 585686649 /nfs/dbraw/zinc/68/66/49/585686649.db2.gz BAZWGGCQVXRWFV-SECBINFHSA-N 1 2 233.271 0.835 20 0 BCADLO CCONC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000776216499 585693487 /nfs/dbraw/zinc/69/34/87/585693487.db2.gz PYANPMUQHZFYMM-UHFFFAOYSA-N 1 2 224.264 0.668 20 0 BCADLO CCOCC[NH+]1CC(OC(=O)CCCOC)C1 ZINC000776307026 585695423 /nfs/dbraw/zinc/69/54/23/585695423.db2.gz RRUBCHPFADNHEM-UHFFFAOYSA-N 1 2 245.319 0.677 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NO[C@@H]1CCCCO1 ZINC000776343688 585696133 /nfs/dbraw/zinc/69/61/33/585696133.db2.gz WGEIHOGNPRSPSM-LLVKDONJSA-N 1 2 239.275 0.537 20 0 BCADLO CC(C)OC(=O)CNC(=O)Cc1c[nH+]cn1C ZINC000776346386 585696235 /nfs/dbraw/zinc/69/62/35/585696235.db2.gz RFGGTGDLRFGWMU-UHFFFAOYSA-N 1 2 239.275 0.030 20 0 BCADLO Cn1c[nH+]cc1CC(=O)NO[C@H]1CCCCO1 ZINC000776343689 585696269 /nfs/dbraw/zinc/69/62/69/585696269.db2.gz WGEIHOGNPRSPSM-NSHDSACASA-N 1 2 239.275 0.537 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000776600680 585701083 /nfs/dbraw/zinc/70/10/83/585701083.db2.gz DNDKEGCQNWEURQ-VHSXEESVSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000776600680 585701084 /nfs/dbraw/zinc/70/10/84/585701084.db2.gz DNDKEGCQNWEURQ-VHSXEESVSA-N 1 2 215.293 0.641 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000776597058 585702435 /nfs/dbraw/zinc/70/24/35/585702435.db2.gz FEFSANFIIYIPPY-ZJUUUORDSA-N 1 2 215.293 0.498 20 0 BCADLO CC(C)COC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000776597058 585702436 /nfs/dbraw/zinc/70/24/36/585702436.db2.gz FEFSANFIIYIPPY-ZJUUUORDSA-N 1 2 215.293 0.498 20 0 BCADLO C[C@H]1[N@H+](Cn2cnnc2)CCOC1(C)C ZINC000776764763 585705219 /nfs/dbraw/zinc/70/52/19/585705219.db2.gz PSAUSYFMTOSMCD-SECBINFHSA-N 1 2 210.281 0.735 20 0 BCADLO C[C@H]1[N@@H+](Cn2cnnc2)CCOC1(C)C ZINC000776764763 585705220 /nfs/dbraw/zinc/70/52/20/585705220.db2.gz PSAUSYFMTOSMCD-SECBINFHSA-N 1 2 210.281 0.735 20 0 BCADLO CCOCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000777055863 585707740 /nfs/dbraw/zinc/70/77/40/585707740.db2.gz LIOIWMMHDHHQBA-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CCOCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000777055863 585707741 /nfs/dbraw/zinc/70/77/41/585707741.db2.gz LIOIWMMHDHHQBA-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO COCc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000777714128 585718752 /nfs/dbraw/zinc/71/87/52/585718752.db2.gz WAVPRRSFGMZGQM-SFYZADRCSA-N 1 2 209.249 0.810 20 0 BCADLO COCc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000777714128 585718753 /nfs/dbraw/zinc/71/87/53/585718753.db2.gz WAVPRRSFGMZGQM-SFYZADRCSA-N 1 2 209.249 0.810 20 0 BCADLO CONC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000777795668 585720211 /nfs/dbraw/zinc/72/02/11/585720211.db2.gz YWEWBMUTELTZPL-UHFFFAOYSA-N 1 2 218.216 0.559 20 0 BCADLO CC(C)[C@@H]1C[N@H+](CN2CCOC2=S)CCO1 ZINC000777967814 585724938 /nfs/dbraw/zinc/72/49/38/585724938.db2.gz JNTZTMWRMMDJNP-JTQLQIEISA-N 1 2 244.360 0.918 20 0 BCADLO CC(C)[C@@H]1C[N@@H+](CN2CCOC2=S)CCO1 ZINC000777967814 585724939 /nfs/dbraw/zinc/72/49/39/585724939.db2.gz JNTZTMWRMMDJNP-JTQLQIEISA-N 1 2 244.360 0.918 20 0 BCADLO CCN1CC[N@H+](CCF)C(C)(C)C1=O ZINC000778241266 585729455 /nfs/dbraw/zinc/72/94/55/585729455.db2.gz LZAZMAQJZWIMDY-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO CCN1CC[N@@H+](CCF)C(C)(C)C1=O ZINC000778241266 585729456 /nfs/dbraw/zinc/72/94/56/585729456.db2.gz LZAZMAQJZWIMDY-UHFFFAOYSA-N 1 2 202.273 0.899 20 0 BCADLO CCN1C(=O)CN(C[N@H+]2CC=CCC2)C1=O ZINC000778576847 585737561 /nfs/dbraw/zinc/73/75/61/585737561.db2.gz LVPKYNKXKUYXLA-UHFFFAOYSA-N 1 2 223.276 0.490 20 0 BCADLO CCN1C(=O)CN(C[N@@H+]2CC=CCC2)C1=O ZINC000778576847 585737562 /nfs/dbraw/zinc/73/75/62/585737562.db2.gz LVPKYNKXKUYXLA-UHFFFAOYSA-N 1 2 223.276 0.490 20 0 BCADLO CO[C@H](C)C(N)=[NH+]O[C@H]1CCCN(C)C1=O ZINC000778599372 585737918 /nfs/dbraw/zinc/73/79/18/585737918.db2.gz XMZPVQDORPOQOW-SFYZADRCSA-N 1 2 229.280 0.141 20 0 BCADLO COCCS(=O)(=O)CCC[N@H+]1CC=CCC1 ZINC000778969336 585742997 /nfs/dbraw/zinc/74/29/97/585742997.db2.gz RUNOJGFKNUKQPG-UHFFFAOYSA-N 1 2 247.360 0.700 20 0 BCADLO COCCS(=O)(=O)CCC[N@@H+]1CC=CCC1 ZINC000778969336 585742998 /nfs/dbraw/zinc/74/29/98/585742998.db2.gz RUNOJGFKNUKQPG-UHFFFAOYSA-N 1 2 247.360 0.700 20 0 BCADLO C/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779097111 585745075 /nfs/dbraw/zinc/74/50/75/585745075.db2.gz UDMQCJCMPOMMOJ-HPOULIHZSA-N 1 2 205.261 0.890 20 0 BCADLO CC[C@H](CO)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000779736814 585760256 /nfs/dbraw/zinc/76/02/56/585760256.db2.gz KPZZLATVPKMAGK-VHSXEESVSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000779736813 585760286 /nfs/dbraw/zinc/76/02/86/585760286.db2.gz KPZZLATVPKMAGK-UWVGGRQHSA-N 1 2 225.292 0.406 20 0 BCADLO CC[C@H](CO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000779775209 585762187 /nfs/dbraw/zinc/76/21/87/585762187.db2.gz AYNPOTFAEXXIBI-SECBINFHSA-N 1 2 208.261 0.769 20 0 BCADLO CC(=O)OC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000779777153 585762303 /nfs/dbraw/zinc/76/23/03/585762303.db2.gz QSIWZVXKQUHKOC-UHFFFAOYSA-N 1 2 225.248 0.368 20 0 BCADLO O=C(Cc1ccccc1CO)NCc1c[nH+]c[nH]1 ZINC000779782331 585762800 /nfs/dbraw/zinc/76/28/00/585762800.db2.gz HBWKVRQPNVMAHK-UHFFFAOYSA-N 1 2 245.282 0.761 20 0 BCADLO O=C(Cc1ccccc1CO)NCc1c[nH]c[nH+]1 ZINC000779782331 585762801 /nfs/dbraw/zinc/76/28/01/585762801.db2.gz HBWKVRQPNVMAHK-UHFFFAOYSA-N 1 2 245.282 0.761 20 0 BCADLO CC[C@H](CO)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000779814491 585766646 /nfs/dbraw/zinc/76/66/46/585766646.db2.gz FBORWKDMRCMHPH-LLVKDONJSA-N 1 2 239.319 0.750 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCc1ccnn1C ZINC000781155706 585791652 /nfs/dbraw/zinc/79/16/52/585791652.db2.gz LCMUFLCSCUMHQQ-ZETCQYMHSA-N 1 2 212.253 0.453 20 0 BCADLO COC(C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C)OC ZINC000781892855 585804577 /nfs/dbraw/zinc/80/45/77/585804577.db2.gz AKSUVVPMWHPNNO-UTEYVOQOSA-N 1 2 235.349 0.447 20 0 BCADLO COC(C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C)OC ZINC000781892855 585804578 /nfs/dbraw/zinc/80/45/78/585804578.db2.gz AKSUVVPMWHPNNO-UTEYVOQOSA-N 1 2 235.349 0.447 20 0 BCADLO CN(C)c1cc(C[NH+]2CCOCC2)ccn1 ZINC000782175821 585810018 /nfs/dbraw/zinc/81/00/18/585810018.db2.gz SMPRIRYQJWWXHX-UHFFFAOYSA-N 1 2 221.304 0.980 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](O)C1CC1 ZINC000782270661 585813364 /nfs/dbraw/zinc/81/33/64/585813364.db2.gz XGBRXOBWFNKOIS-KOLCDFICSA-N 1 2 243.303 0.021 20 0 BCADLO Cc1cn2c([nH+]1)CN(CN1C[C@H](C)CC1=O)CC2 ZINC000782280825 585813627 /nfs/dbraw/zinc/81/36/27/585813627.db2.gz TUTMXHZSSPEFAJ-SNVBAGLBSA-N 1 2 248.330 0.833 20 0 BCADLO C[C@@H]1CN(C)C(=O)CN1c1cccc[nH+]1 ZINC000782399824 585817473 /nfs/dbraw/zinc/81/74/73/585817473.db2.gz RQRBUGGRWLQKBY-SECBINFHSA-N 1 2 205.261 0.749 20 0 BCADLO CCNC(=O)C[N@H+](C)Cc1cnoc1C ZINC000782484130 585818621 /nfs/dbraw/zinc/81/86/21/585818621.db2.gz SYZZKIDWBQJKLL-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCNC(=O)C[N@@H+](C)Cc1cnoc1C ZINC000782484130 585818622 /nfs/dbraw/zinc/81/86/22/585818622.db2.gz SYZZKIDWBQJKLL-UHFFFAOYSA-N 1 2 211.265 0.551 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583442 585820395 /nfs/dbraw/zinc/82/03/95/585820395.db2.gz KEKJAHXMQGJHFC-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583442 585820396 /nfs/dbraw/zinc/82/03/96/585820396.db2.gz KEKJAHXMQGJHFC-JTQLQIEISA-N 1 2 242.319 0.492 20 0 BCADLO CCn1cc[nH+]c1CN1CC(=O)N(C)C[C@@H]1C ZINC000782583342 585820587 /nfs/dbraw/zinc/82/05/87/585820587.db2.gz DICPOBNNWIMODN-JTQLQIEISA-N 1 2 236.319 0.566 20 0 BCADLO CCOC(=O)CCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583443 585820658 /nfs/dbraw/zinc/82/06/58/585820658.db2.gz KEKJAHXMQGJHFC-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO CCOC(=O)CCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583443 585820659 /nfs/dbraw/zinc/82/06/59/585820659.db2.gz KEKJAHXMQGJHFC-SNVBAGLBSA-N 1 2 242.319 0.492 20 0 BCADLO C[C@H]1CN(C)C(=O)CN1CCn1cc[nH+]c1 ZINC000782587225 585821118 /nfs/dbraw/zinc/82/11/18/585821118.db2.gz WWHNHKWZQKHEGP-JTQLQIEISA-N 1 2 222.292 0.046 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1ccccn1 ZINC000782595448 585821454 /nfs/dbraw/zinc/82/14/54/585821454.db2.gz JWBIIGFRORWFKY-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1ccccn1 ZINC000782595448 585821455 /nfs/dbraw/zinc/82/14/55/585821455.db2.gz JWBIIGFRORWFKY-LLVKDONJSA-N 1 2 233.315 0.787 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000782803714 585824687 /nfs/dbraw/zinc/82/46/87/585824687.db2.gz UZPYLPMQJWGVNR-MFKMUULPSA-N 1 2 247.298 0.658 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccoc1 ZINC000783729527 585840779 /nfs/dbraw/zinc/84/07/79/585840779.db2.gz OFZPXMFDMZAIQE-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccoc1 ZINC000783729527 585840780 /nfs/dbraw/zinc/84/07/80/585840780.db2.gz OFZPXMFDMZAIQE-SECBINFHSA-N 1 2 208.261 0.942 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)N1C ZINC000783990624 585846504 /nfs/dbraw/zinc/84/65/04/585846504.db2.gz BMYZVVZNPKXBHO-NSHDSACASA-N 1 2 247.298 0.625 20 0 BCADLO CC(C)[C@@H](F)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000784135800 585851042 /nfs/dbraw/zinc/85/10/42/585851042.db2.gz RTRVCZRQHJYHCF-GHMZBOCLSA-N 1 2 243.326 0.097 20 0 BCADLO CCc1nnc(C[N@@H+]2CC[C@H](C(N)=O)C2)s1 ZINC000784147573 585851489 /nfs/dbraw/zinc/85/14/89/585851489.db2.gz LGGCOIDEFNYJEG-ZETCQYMHSA-N 1 2 240.332 0.408 20 0 BCADLO CCc1nnc(C[N@H+]2CC[C@H](C(N)=O)C2)s1 ZINC000784147573 585851490 /nfs/dbraw/zinc/85/14/90/585851490.db2.gz LGGCOIDEFNYJEG-ZETCQYMHSA-N 1 2 240.332 0.408 20 0 BCADLO CC(C)[C@H](F)C(=O)N1CC[NH+](CCO)CC1 ZINC000784154507 585852006 /nfs/dbraw/zinc/85/20/06/585852006.db2.gz STWGGOBZYKJSFG-JTQLQIEISA-N 1 2 232.299 0.117 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000784535353 585862615 /nfs/dbraw/zinc/86/26/15/585862615.db2.gz VCCACVIHGXSFBA-WDEREUQCSA-N 1 2 246.326 0.506 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000784535353 585862616 /nfs/dbraw/zinc/86/26/16/585862616.db2.gz VCCACVIHGXSFBA-WDEREUQCSA-N 1 2 246.326 0.506 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(C)COC1 ZINC000784905127 585868297 /nfs/dbraw/zinc/86/82/97/585868297.db2.gz BDZGSAAGKISHIP-JTQLQIEISA-N 1 2 243.303 0.287 20 0 BCADLO C[C@@H](c1nc(Cn2cccn2)no1)[NH+](C)C ZINC000785558894 585875722 /nfs/dbraw/zinc/87/57/22/585875722.db2.gz HVZBNLCQIDCKID-QMMMGPOBSA-N 1 2 221.264 0.937 20 0 BCADLO Cc1cc(CC(=O)OCCn2cc[nH+]c2)no1 ZINC000785969029 585884567 /nfs/dbraw/zinc/88/45/67/585884567.db2.gz MGPQXMSFPNRGER-UHFFFAOYSA-N 1 2 235.243 0.965 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccc(F)cn1 ZINC000787184686 585902397 /nfs/dbraw/zinc/90/23/97/585902397.db2.gz VVVHVJUSXMOLJN-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccc(F)cn1 ZINC000787184686 585902398 /nfs/dbraw/zinc/90/23/98/585902398.db2.gz VVVHVJUSXMOLJN-UHFFFAOYSA-N 1 2 225.267 0.789 20 0 BCADLO O=C(N[C@@H](CO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000787206109 585903287 /nfs/dbraw/zinc/90/32/87/585903287.db2.gz WYPGJOCSAOKQAF-QWRGUYRKSA-N 1 2 249.314 0.333 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cn2)C1 ZINC000787254868 585903972 /nfs/dbraw/zinc/90/39/72/585903972.db2.gz KXIVYMVFAVRSCW-PHIMTYICSA-N 1 2 226.251 0.148 20 0 BCADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cn2)C1 ZINC000787254868 585903973 /nfs/dbraw/zinc/90/39/73/585903973.db2.gz KXIVYMVFAVRSCW-PHIMTYICSA-N 1 2 226.251 0.148 20 0 BCADLO O=C(NOCC(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787270008 585904385 /nfs/dbraw/zinc/90/43/85/585904385.db2.gz SKZVLTDAZWTUOJ-SSDOTTSWSA-N 1 2 245.229 0.758 20 0 BCADLO OCC[C@@H]1COCC[N@@H+]1CCOCC(F)F ZINC000787274117 585904467 /nfs/dbraw/zinc/90/44/67/585904467.db2.gz ZXRKWWCQRZZYPW-SECBINFHSA-N 1 2 239.262 0.351 20 0 BCADLO OCC[C@@H]1COCC[N@H+]1CCOCC(F)F ZINC000787274117 585904468 /nfs/dbraw/zinc/90/44/68/585904468.db2.gz ZXRKWWCQRZZYPW-SECBINFHSA-N 1 2 239.262 0.351 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787333945 585907087 /nfs/dbraw/zinc/90/70/87/585907087.db2.gz MVMZOVNBELEUSW-QLJPJBMISA-N 1 2 244.360 0.108 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787333945 585907088 /nfs/dbraw/zinc/90/70/88/585907088.db2.gz MVMZOVNBELEUSW-QLJPJBMISA-N 1 2 244.360 0.108 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787333943 585907298 /nfs/dbraw/zinc/90/72/98/585907298.db2.gz MVMZOVNBELEUSW-MGPLVRAMSA-N 1 2 244.360 0.108 20 0 BCADLO C[S@@](=O)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787333943 585907299 /nfs/dbraw/zinc/90/72/99/585907299.db2.gz MVMZOVNBELEUSW-MGPLVRAMSA-N 1 2 244.360 0.108 20 0 BCADLO C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000787761576 585915489 /nfs/dbraw/zinc/91/54/89/585915489.db2.gz KTSRGUZXPSTSBO-OUAUKWLOSA-N 1 2 238.335 0.779 20 0 BCADLO C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000787761576 585915490 /nfs/dbraw/zinc/91/54/90/585915490.db2.gz KTSRGUZXPSTSBO-OUAUKWLOSA-N 1 2 238.335 0.779 20 0 BCADLO CN(C)C(=O)c1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC000788003434 585918808 /nfs/dbraw/zinc/91/88/08/585918808.db2.gz CJIKVSUMYOWBFK-UHFFFAOYSA-N 1 2 248.326 0.955 20 0 BCADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1ncc[nH]1 ZINC000788454982 585924567 /nfs/dbraw/zinc/92/45/67/585924567.db2.gz LIDBBZXVIXTMBP-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ncc[nH]1 ZINC000788454982 585924568 /nfs/dbraw/zinc/92/45/68/585924568.db2.gz LIDBBZXVIXTMBP-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000788649208 585928086 /nfs/dbraw/zinc/92/80/86/585928086.db2.gz RWXYJXSOWAAFDO-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO CCOC(=O)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000788649208 585928087 /nfs/dbraw/zinc/92/80/87/585928087.db2.gz RWXYJXSOWAAFDO-QMMMGPOBSA-N 1 2 239.275 0.410 20 0 BCADLO CC(C)C1(O)C[NH+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000789308637 585939568 /nfs/dbraw/zinc/93/95/68/585939568.db2.gz OUABHTBKKUHYGN-SNVBAGLBSA-N 1 2 247.360 0.124 20 0 BCADLO CC[C@H](C)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789605084 585945877 /nfs/dbraw/zinc/94/58/77/585945877.db2.gz DTQGKSUYIAMMBQ-DTWKUNHWSA-N 1 2 243.307 0.579 20 0 BCADLO COCCOCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789606972 585946018 /nfs/dbraw/zinc/94/60/18/585946018.db2.gz HVIYPAYLCIHHMN-SECBINFHSA-N 1 2 232.280 0.327 20 0 BCADLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)NC1CC1 ZINC000789607883 585946337 /nfs/dbraw/zinc/94/63/37/585946337.db2.gz JALZJHXPGYEFIQ-APPZFPTMSA-N 1 2 241.291 0.331 20 0 BCADLO Cn1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789609823 585946530 /nfs/dbraw/zinc/94/65/30/585946530.db2.gz HKTOSYRROVLSET-VIFPVBQESA-N 1 2 224.264 0.598 20 0 BCADLO CCOCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613403 585946784 /nfs/dbraw/zinc/94/67/84/585946784.db2.gz WZDLMBPGIXIYCO-MRVPVSSYSA-N 1 2 202.254 0.700 20 0 BCADLO Cc1n[nH]nc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000790010234 585955988 /nfs/dbraw/zinc/95/59/88/585955988.db2.gz OFVYDRDXZKPECM-MRVPVSSYSA-N 1 2 246.274 0.814 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000790013041 585956197 /nfs/dbraw/zinc/95/61/97/585956197.db2.gz UMKVHRNYPXZUND-IUCAKERBSA-N 1 2 237.307 0.278 20 0 BCADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000790013041 585956198 /nfs/dbraw/zinc/95/61/98/585956198.db2.gz UMKVHRNYPXZUND-IUCAKERBSA-N 1 2 237.307 0.278 20 0 BCADLO COC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790129641 585958257 /nfs/dbraw/zinc/95/82/57/585958257.db2.gz YHNPGIIWASVSJE-SECBINFHSA-N 1 2 216.281 0.405 20 0 BCADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000790433659 585964723 /nfs/dbraw/zinc/96/47/23/585964723.db2.gz WAVFQVSZZMOENI-SNVBAGLBSA-N 1 2 244.335 0.753 20 0 BCADLO CON(C)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000790433659 585964724 /nfs/dbraw/zinc/96/47/24/585964724.db2.gz WAVFQVSZZMOENI-SNVBAGLBSA-N 1 2 244.335 0.753 20 0 BCADLO CON(C)C(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000790449669 585965095 /nfs/dbraw/zinc/96/50/95/585965095.db2.gz CDLTZUQERYRZPA-UHFFFAOYSA-N 1 2 240.307 0.180 20 0 BCADLO CON(C)C(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000790449669 585965096 /nfs/dbraw/zinc/96/50/96/585965096.db2.gz CDLTZUQERYRZPA-UHFFFAOYSA-N 1 2 240.307 0.180 20 0 BCADLO C[C@H]1CCSCC[N@@H+]1Cn1ncn(C)c1=O ZINC000790477449 585965308 /nfs/dbraw/zinc/96/53/08/585965308.db2.gz JZWUGEMEYUICSV-VIFPVBQESA-N 1 2 242.348 0.367 20 0 BCADLO C[C@H]1CCSCC[N@H+]1Cn1ncn(C)c1=O ZINC000790477449 585965309 /nfs/dbraw/zinc/96/53/09/585965309.db2.gz JZWUGEMEYUICSV-VIFPVBQESA-N 1 2 242.348 0.367 20 0 BCADLO CC(=O)N[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791456819 585981968 /nfs/dbraw/zinc/98/19/68/585981968.db2.gz OSHMIIWMMHRSDN-ZETCQYMHSA-N 1 2 237.259 0.232 20 0 BCADLO Cn1ncc(C(=O)OCc2cc[nH+]c(N)c2)c1N ZINC000791989882 585992699 /nfs/dbraw/zinc/99/26/99/585992699.db2.gz DGAKJZNFHUNEMM-UHFFFAOYSA-N 1 2 247.258 0.337 20 0 BCADLO Nc1cc(COC(=O)CC2(CO)CC2)cc[nH+]1 ZINC000792025333 585993852 /nfs/dbraw/zinc/99/38/52/585993852.db2.gz SUVHYIZVDPWRPE-UHFFFAOYSA-N 1 2 236.271 0.870 20 0 BCADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cnns1 ZINC000859279566 589027140 /nfs/dbraw/zinc/02/71/40/589027140.db2.gz BPHVORKSALHULM-VIFPVBQESA-N 1 2 245.348 0.756 20 0 BCADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cnns1 ZINC000859279566 589027141 /nfs/dbraw/zinc/02/71/41/589027141.db2.gz BPHVORKSALHULM-VIFPVBQESA-N 1 2 245.348 0.756 20 0 BCADLO Cc1ccnc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000792218776 585998009 /nfs/dbraw/zinc/99/80/09/585998009.db2.gz STSSDYBJGMMRDR-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO Cc1ccnc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000792218776 585998010 /nfs/dbraw/zinc/99/80/10/585998010.db2.gz STSSDYBJGMMRDR-UHFFFAOYSA-N 1 2 219.288 0.712 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000792297571 585999332 /nfs/dbraw/zinc/99/93/32/585999332.db2.gz QEOVHWZTFRHWNJ-LNLATYFQSA-N 1 2 249.318 0.383 20 0 BCADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000792297571 585999333 /nfs/dbraw/zinc/99/93/33/585999333.db2.gz QEOVHWZTFRHWNJ-LNLATYFQSA-N 1 2 249.318 0.383 20 0 BCADLO CN(Cc1[nH+]ccn1C)C(=O)CC1OCCO1 ZINC000792845966 586005796 /nfs/dbraw/zinc/00/57/96/586005796.db2.gz DKXYOWBANJSDEL-UHFFFAOYSA-N 1 2 239.275 0.142 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793257441 586015371 /nfs/dbraw/zinc/01/53/71/586015371.db2.gz HHNZMSPWXXRQSK-WDEREUQCSA-N 1 2 238.287 0.931 20 0 BCADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)n(C)n1 ZINC000793259184 586015467 /nfs/dbraw/zinc/01/54/67/586015467.db2.gz QUZCYZHPIXWENR-UHFFFAOYSA-N 1 2 248.286 0.862 20 0 BCADLO COCCONC(=O)CCc1c[nH+]cn1C ZINC000793614161 586024206 /nfs/dbraw/zinc/02/42/06/586024206.db2.gz IGTVTXNDVZKWSM-UHFFFAOYSA-N 1 2 227.264 0.047 20 0 BCADLO C[C@@](CO)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000793676209 586024925 /nfs/dbraw/zinc/02/49/25/586024925.db2.gz CBTUXBPUFYMQET-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO C[C@@](CO)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000793676209 586024926 /nfs/dbraw/zinc/02/49/26/586024926.db2.gz CBTUXBPUFYMQET-LBPRGKRZSA-N 1 2 237.303 0.620 20 0 BCADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)C1CC1 ZINC000793768725 586026292 /nfs/dbraw/zinc/02/62/92/586026292.db2.gz WKAFKNJJOIRMRJ-NSHDSACASA-N 1 2 237.303 0.240 20 0 BCADLO CC[C@@H]1CC[N@@H+]1Cn1cnc(C(=O)OC)n1 ZINC000793821827 586027238 /nfs/dbraw/zinc/02/72/38/586027238.db2.gz TVWPIBAXCOTOHD-MRVPVSSYSA-N 1 2 224.264 0.507 20 0 BCADLO CC[C@@H]1CC[N@H+]1Cn1cnc(C(=O)OC)n1 ZINC000793821827 586027239 /nfs/dbraw/zinc/02/72/39/586027239.db2.gz TVWPIBAXCOTOHD-MRVPVSSYSA-N 1 2 224.264 0.507 20 0 BCADLO CC[C@@](C)([NH2+]CCN1CCOC1=O)C(=O)OC ZINC000794452886 586040221 /nfs/dbraw/zinc/04/02/21/586040221.db2.gz HTNZLSZDEVEXJI-LLVKDONJSA-N 1 2 244.291 0.370 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC1OCCCO1)C1CC1 ZINC000794565529 586044353 /nfs/dbraw/zinc/04/43/53/586044353.db2.gz IHPVZLZFCGFJSU-LLVKDONJSA-N 1 2 243.303 0.681 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CCCOCC1 ZINC000795413753 586078161 /nfs/dbraw/zinc/07/81/61/586078161.db2.gz KXNOTVWIDZYLND-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CCCOCC1 ZINC000795413753 586078162 /nfs/dbraw/zinc/07/81/62/586078162.db2.gz KXNOTVWIDZYLND-VIFPVBQESA-N 1 2 248.273 0.780 20 0 BCADLO O[C@@H](C[N@@H+]1CCc2nc[nH]c2C1)c1ccccn1 ZINC000859307237 589029648 /nfs/dbraw/zinc/02/96/48/589029648.db2.gz PZFKDZODUHBCIK-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@@H](C[N@H+]1CCc2nc[nH]c2C1)c1ccccn1 ZINC000859307237 589029649 /nfs/dbraw/zinc/02/96/49/589029649.db2.gz PZFKDZODUHBCIK-ZDUSSCGKSA-N 1 2 244.298 0.896 20 0 BCADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)COC ZINC000795521993 586082760 /nfs/dbraw/zinc/08/27/60/586082760.db2.gz PWCYHKPTAHBUKJ-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)COC ZINC000795521993 586082761 /nfs/dbraw/zinc/08/27/61/586082761.db2.gz PWCYHKPTAHBUKJ-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CN(Cc1[nH+]ccn1C)[C@H]1CC(C)(C)OC1=O ZINC000795655182 586090598 /nfs/dbraw/zinc/09/05/98/586090598.db2.gz VDIHPKWRMAYLEJ-VIFPVBQESA-N 1 2 237.303 0.946 20 0 BCADLO CO[C@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000795827044 586092883 /nfs/dbraw/zinc/09/28/83/586092883.db2.gz DPBKSXIIYDMVFK-JTQLQIEISA-N 1 2 224.260 0.851 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796080519 586097305 /nfs/dbraw/zinc/09/73/05/586097305.db2.gz OHHDWIFSKAZTTJ-GFCCVEGCSA-N 1 2 243.303 0.241 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796080519 586097306 /nfs/dbraw/zinc/09/73/06/586097306.db2.gz OHHDWIFSKAZTTJ-GFCCVEGCSA-N 1 2 243.303 0.241 20 0 BCADLO CC[N@H+](CC(=O)NC)Cc1ccnc(C)n1 ZINC000796453452 586102996 /nfs/dbraw/zinc/10/29/96/586102996.db2.gz HFPGCDWOVJTILA-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC[N@@H+](CC(=O)NC)Cc1ccnc(C)n1 ZINC000796453452 586102997 /nfs/dbraw/zinc/10/29/97/586102997.db2.gz HFPGCDWOVJTILA-UHFFFAOYSA-N 1 2 222.292 0.353 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1c[nH]cn1 ZINC000796456170 586104025 /nfs/dbraw/zinc/10/40/25/586104025.db2.gz KMNMUPNDHWCCFD-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1c[nH]cn1 ZINC000796456170 586104026 /nfs/dbraw/zinc/10/40/26/586104026.db2.gz KMNMUPNDHWCCFD-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cnc[nH]1 ZINC000796456170 586104027 /nfs/dbraw/zinc/10/40/27/586104027.db2.gz KMNMUPNDHWCCFD-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cnc[nH]1 ZINC000796456170 586104028 /nfs/dbraw/zinc/10/40/28/586104028.db2.gz KMNMUPNDHWCCFD-LLVKDONJSA-N 1 2 227.308 0.627 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@@]2(CCOC2)O1 ZINC000796556955 586106977 /nfs/dbraw/zinc/10/69/77/586106977.db2.gz SFAGQTTYTAXYEG-ZYHUDNBSSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@@]2(CCOC2)O1 ZINC000796556955 586106978 /nfs/dbraw/zinc/10/69/78/586106978.db2.gz SFAGQTTYTAXYEG-ZYHUDNBSSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@@]2(CCOC2)O1 ZINC000796556952 586106995 /nfs/dbraw/zinc/10/69/95/586106995.db2.gz SFAGQTTYTAXYEG-CMPLNLGQSA-N 1 2 243.303 0.239 20 0 BCADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@@]2(CCOC2)O1 ZINC000796556952 586106996 /nfs/dbraw/zinc/10/69/96/586106996.db2.gz SFAGQTTYTAXYEG-CMPLNLGQSA-N 1 2 243.303 0.239 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000796612987 586108648 /nfs/dbraw/zinc/10/86/48/586108648.db2.gz QRVWNZTUIVZKSP-ORZBULNSSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+](C)[C@@H](C)C(=O)OC ZINC000796612987 586108649 /nfs/dbraw/zinc/10/86/49/586108649.db2.gz QRVWNZTUIVZKSP-ORZBULNSSA-N 1 2 229.276 0.599 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cnns3)C[C@@H]21 ZINC000859313068 589030568 /nfs/dbraw/zinc/03/05/68/589030568.db2.gz GZMACKUSFDTZOG-BRPSZJMVSA-N 1 2 239.300 0.389 20 0 BCADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cnns3)C[C@@H]21 ZINC000859313068 589030570 /nfs/dbraw/zinc/03/05/70/589030570.db2.gz GZMACKUSFDTZOG-BRPSZJMVSA-N 1 2 239.300 0.389 20 0 BCADLO O=C(NCCF)c1ccnc(-n2cc[nH+]c2)c1 ZINC000798059322 586136217 /nfs/dbraw/zinc/13/62/17/586136217.db2.gz VSISPCUPPICNKG-UHFFFAOYSA-N 1 2 234.234 0.967 20 0 BCADLO CC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H](C)O1 ZINC000799121594 586159046 /nfs/dbraw/zinc/15/90/46/586159046.db2.gz APBRGWBYBIUNJN-OPRDCNLKSA-N 1 2 240.303 0.291 20 0 BCADLO CC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H](C)O1 ZINC000799121594 586159049 /nfs/dbraw/zinc/15/90/49/586159049.db2.gz APBRGWBYBIUNJN-OPRDCNLKSA-N 1 2 240.303 0.291 20 0 BCADLO Cn1nnnc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194252 586166203 /nfs/dbraw/zinc/16/62/03/586166203.db2.gz RICHRJDTSIQYRY-JTQLQIEISA-N 1 2 244.302 0.595 20 0 BCADLO Cn1nnnc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194252 586166205 /nfs/dbraw/zinc/16/62/05/586166205.db2.gz RICHRJDTSIQYRY-JTQLQIEISA-N 1 2 244.302 0.595 20 0 BCADLO FCCn1ncnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000799310357 586171431 /nfs/dbraw/zinc/17/14/31/586171431.db2.gz GXZXSBXCHYXFBP-BDAKNGLRSA-N 1 2 210.256 0.842 20 0 BCADLO FCCn1ncnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000799310357 586171433 /nfs/dbraw/zinc/17/14/33/586171433.db2.gz GXZXSBXCHYXFBP-BDAKNGLRSA-N 1 2 210.256 0.842 20 0 BCADLO O[C@@]1(C(F)F)CC[N@H+](Cc2cnns2)C1 ZINC000859323452 589032036 /nfs/dbraw/zinc/03/20/36/589032036.db2.gz DJWRJMHMWXTTHD-QMMMGPOBSA-N 1 2 235.259 0.740 20 0 BCADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2cnns2)C1 ZINC000859323452 589032037 /nfs/dbraw/zinc/03/20/37/589032037.db2.gz DJWRJMHMWXTTHD-QMMMGPOBSA-N 1 2 235.259 0.740 20 0 BCADLO O=C(CC[N@@H+]1CCOC[C@]12CCOC2)C1CC1 ZINC000799348378 586172801 /nfs/dbraw/zinc/17/28/01/586172801.db2.gz PMGAYLSULVERPL-CYBMUJFWSA-N 1 2 239.315 0.847 20 0 BCADLO O=C(CC[N@H+]1CCOC[C@]12CCOC2)C1CC1 ZINC000799348378 586172803 /nfs/dbraw/zinc/17/28/03/586172803.db2.gz PMGAYLSULVERPL-CYBMUJFWSA-N 1 2 239.315 0.847 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)[C@@H](NC=O)C(C)C ZINC000859382785 589034756 /nfs/dbraw/zinc/03/47/56/589034756.db2.gz QZVDLIJFCKJKFZ-LBPRGKRZSA-N 1 2 249.314 0.775 20 0 BCADLO CONC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000800434347 586219054 /nfs/dbraw/zinc/21/90/54/586219054.db2.gz RUJYESMNEQFVBY-SNVBAGLBSA-N 1 2 242.319 0.603 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000800467958 586221125 /nfs/dbraw/zinc/22/11/25/586221125.db2.gz BQXPXMODIHDSDH-JTQLQIEISA-N 1 2 245.344 0.475 20 0 BCADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000800467958 586221127 /nfs/dbraw/zinc/22/11/27/586221127.db2.gz BQXPXMODIHDSDH-JTQLQIEISA-N 1 2 245.344 0.475 20 0 BCADLO CCOC(C[N@H+]1CC(=O)N(C)[C@@H](C)C1)OCC ZINC000800481039 586222076 /nfs/dbraw/zinc/22/20/76/586222076.db2.gz WDBNMNSDVPZFJD-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO CCOC(C[N@@H+]1CC(=O)N(C)[C@@H](C)C1)OCC ZINC000800481039 586222079 /nfs/dbraw/zinc/22/20/79/586222079.db2.gz WDBNMNSDVPZFJD-JTQLQIEISA-N 1 2 244.335 0.548 20 0 BCADLO S=c1[nH]ccn1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800863235 586234487 /nfs/dbraw/zinc/23/44/87/586234487.db2.gz MTWQYQNMQXEZFF-DTORHVGOSA-N 1 2 241.316 0.229 20 0 BCADLO S=c1[nH]ccn1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800863235 586234490 /nfs/dbraw/zinc/23/44/90/586234490.db2.gz MTWQYQNMQXEZFF-DTORHVGOSA-N 1 2 241.316 0.229 20 0 BCADLO CC(C)OCC(N)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000800868219 586235265 /nfs/dbraw/zinc/23/52/65/586235265.db2.gz WHJYNXVTUOWGKV-SSDOTTSWSA-N 1 2 231.252 0.018 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559585 586262777 /nfs/dbraw/zinc/26/27/77/586262777.db2.gz CJXCQKUMHCGXOF-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559585 586262779 /nfs/dbraw/zinc/26/27/79/586262779.db2.gz CJXCQKUMHCGXOF-YUMQZZPRSA-N 1 2 209.236 0.987 20 0 BCADLO CCOC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559417 586262919 /nfs/dbraw/zinc/26/29/19/586262919.db2.gz ILYNJGAORVNGEL-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCOC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559417 586262922 /nfs/dbraw/zinc/26/29/22/586262922.db2.gz ILYNJGAORVNGEL-QMMMGPOBSA-N 1 2 237.246 0.906 20 0 BCADLO CCCC[N@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000839957582 586295196 /nfs/dbraw/zinc/29/51/96/586295196.db2.gz DPGFBRHJZIDJRK-UHFFFAOYSA-N 1 2 248.286 0.762 20 0 BCADLO CCCC[N@@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000839957582 586295199 /nfs/dbraw/zinc/29/51/99/586295199.db2.gz DPGFBRHJZIDJRK-UHFFFAOYSA-N 1 2 248.286 0.762 20 0 BCADLO CCCOCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802233433 586297655 /nfs/dbraw/zinc/29/76/55/586297655.db2.gz QAAAADCGEOTIIH-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO CCCOCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802233433 586297656 /nfs/dbraw/zinc/29/76/56/586297656.db2.gz QAAAADCGEOTIIH-JTQLQIEISA-N 1 2 233.283 1.000 20 0 BCADLO CC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000839960832 586301327 /nfs/dbraw/zinc/30/13/27/586301327.db2.gz SAUSSUMFKYHSOZ-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000839960832 586301329 /nfs/dbraw/zinc/30/13/29/586301329.db2.gz SAUSSUMFKYHSOZ-GHMZBOCLSA-N 1 2 226.320 0.923 20 0 BCADLO Cn1ncc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000802972852 586327734 /nfs/dbraw/zinc/32/77/34/586327734.db2.gz BDGOUXXRWBKVAP-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO Cn1ncc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000802972852 586327736 /nfs/dbraw/zinc/32/77/36/586327736.db2.gz BDGOUXXRWBKVAP-SNVBAGLBSA-N 1 2 238.291 0.343 20 0 BCADLO CN(C)c1cc[nH+]c(NC(=O)c2cnn(C)n2)c1 ZINC000803098898 586333637 /nfs/dbraw/zinc/33/36/37/586333637.db2.gz NMHGINWHRGJZSO-UHFFFAOYSA-N 1 2 246.274 0.528 20 0 BCADLO CC[C@H]1COCC[N@@H+]1CN1CC[C@@H](C)C1=O ZINC000839997558 586345759 /nfs/dbraw/zinc/34/57/59/586345759.db2.gz FDUPUALOROARLI-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO CC[C@H]1COCC[N@H+]1CN1CC[C@@H](C)C1=O ZINC000839997558 586345761 /nfs/dbraw/zinc/34/57/61/586345761.db2.gz FDUPUALOROARLI-MNOVXSKESA-N 1 2 226.320 0.923 20 0 BCADLO COCCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803498520 586361970 /nfs/dbraw/zinc/36/19/70/586361970.db2.gz RZQVMVKPMDMVAQ-NSHDSACASA-N 1 2 245.319 0.721 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000804297085 586388779 /nfs/dbraw/zinc/38/87/79/586388779.db2.gz DMSVTFCXOGVOPI-QJPTWQEYSA-N 1 2 238.331 0.718 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000804297085 586388782 /nfs/dbraw/zinc/38/87/82/586388782.db2.gz DMSVTFCXOGVOPI-QJPTWQEYSA-N 1 2 238.331 0.718 20 0 BCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=COCCO1 ZINC000804335131 586390927 /nfs/dbraw/zinc/39/09/27/586390927.db2.gz RNHCXFNGKDCFRL-SECBINFHSA-N 1 2 249.270 0.202 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333938 586391339 /nfs/dbraw/zinc/39/13/39/586391339.db2.gz TXXITCWBLZFVLA-SECBINFHSA-N 1 2 249.314 0.929 20 0 BCADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333939 586391391 /nfs/dbraw/zinc/39/13/91/586391391.db2.gz TXXITCWBLZFVLA-VIFPVBQESA-N 1 2 249.314 0.929 20 0 BCADLO CC[C@@H](CO)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335760 586391780 /nfs/dbraw/zinc/39/17/80/586391780.db2.gz DOAIVLLZNNSAKT-UWVGGRQHSA-N 1 2 237.303 0.333 20 0 BCADLO C[C@H]1CCN(C[N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000840049138 586398026 /nfs/dbraw/zinc/39/80/26/586398026.db2.gz RQXAPTSXYPQVRL-CMPLNLGQSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@H]1CCN(C[N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000840049138 586398028 /nfs/dbraw/zinc/39/80/28/586398028.db2.gz RQXAPTSXYPQVRL-CMPLNLGQSA-N 1 2 238.331 0.923 20 0 BCADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000806168685 586406499 /nfs/dbraw/zinc/40/64/99/586406499.db2.gz XBODUEORLJZDPC-SKDRFNHKSA-N 1 2 235.335 0.387 20 0 BCADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC000806167447 586406593 /nfs/dbraw/zinc/40/65/93/586406593.db2.gz WJGZIDATQIFRDY-SECBINFHSA-N 1 2 234.307 0.708 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CCC(C)(C)C1=O ZINC000840083001 586423268 /nfs/dbraw/zinc/42/32/68/586423268.db2.gz JROHAQWVHAITES-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CCC(C)(C)C1=O ZINC000840083001 586423269 /nfs/dbraw/zinc/42/32/69/586423269.db2.gz JROHAQWVHAITES-SNVBAGLBSA-N 1 2 226.320 0.923 20 0 BCADLO CC[NH2+]Cc1noc(CCCNC(=O)OC)n1 ZINC000843144301 586424586 /nfs/dbraw/zinc/42/45/86/586424586.db2.gz AGAYIZVHYOEZOU-UHFFFAOYSA-N 1 2 242.279 0.468 20 0 BCADLO CN1C(=O)CN(C[N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840098114 586445639 /nfs/dbraw/zinc/44/56/39/586445639.db2.gz GBUXVSIMCCAJEE-NSHDSACASA-N 1 2 243.282 0.662 20 0 BCADLO CN1C(=O)CN(C[N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840098114 586445640 /nfs/dbraw/zinc/44/56/40/586445640.db2.gz GBUXVSIMCCAJEE-NSHDSACASA-N 1 2 243.282 0.662 20 0 BCADLO CNC(=O)[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000808048408 586460303 /nfs/dbraw/zinc/46/03/03/586460303.db2.gz SIQLPIMJIYVGRL-LLVKDONJSA-N 1 2 245.282 0.754 20 0 BCADLO O=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nnn1C1CC1 ZINC000808154468 586464926 /nfs/dbraw/zinc/46/49/26/586464926.db2.gz NSSGSXBWYKAXJU-LLVKDONJSA-N 1 2 249.318 0.607 20 0 BCADLO O=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nnn1C1CC1 ZINC000808154468 586464928 /nfs/dbraw/zinc/46/49/28/586464928.db2.gz NSSGSXBWYKAXJU-LLVKDONJSA-N 1 2 249.318 0.607 20 0 BCADLO CC[C@H](C)C[N@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808156831 586465179 /nfs/dbraw/zinc/46/51/79/586465179.db2.gz PMRPRNKMTQBKRS-VIFPVBQESA-N 1 2 239.323 0.710 20 0 BCADLO CC[C@H](C)C[N@@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808156831 586465181 /nfs/dbraw/zinc/46/51/81/586465181.db2.gz PMRPRNKMTQBKRS-VIFPVBQESA-N 1 2 239.323 0.710 20 0 BCADLO CC[C@@H](C)C[N@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808156830 586465913 /nfs/dbraw/zinc/46/59/13/586465913.db2.gz PMRPRNKMTQBKRS-SECBINFHSA-N 1 2 239.323 0.710 20 0 BCADLO CC[C@@H](C)C[N@@H+](C)Cn1nnn(C2CC2)c1=O ZINC000808156830 586465915 /nfs/dbraw/zinc/46/59/15/586465915.db2.gz PMRPRNKMTQBKRS-SECBINFHSA-N 1 2 239.323 0.710 20 0 BCADLO C[C@H]1C[NH+](Cn2nnn(C3CC3)c2=O)C[C@@H]1C ZINC000808166088 586466642 /nfs/dbraw/zinc/46/66/42/586466642.db2.gz VNCHGWOVPPBLAN-IUCAKERBSA-N 1 2 237.307 0.320 20 0 BCADLO COC(=O)C[N@H+](C)CCC(=O)C(C)C ZINC000808706490 586483461 /nfs/dbraw/zinc/48/34/61/586483461.db2.gz LFWYPOBIPMLQPK-UHFFFAOYSA-N 1 2 201.266 0.706 20 0 BCADLO COC(=O)C[N@@H+](C)CCC(=O)C(C)C ZINC000808706490 586483463 /nfs/dbraw/zinc/48/34/63/586483463.db2.gz LFWYPOBIPMLQPK-UHFFFAOYSA-N 1 2 201.266 0.706 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)OC)C(C)C ZINC000808746755 586487271 /nfs/dbraw/zinc/48/72/71/586487271.db2.gz UVFYJAYEQBGHMA-SNVBAGLBSA-N 1 2 246.307 0.184 20 0 BCADLO CC(C)C(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000808748745 586487532 /nfs/dbraw/zinc/48/75/32/586487532.db2.gz ZRCYNXWZOVIACP-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO CC(C)C(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000808748745 586487534 /nfs/dbraw/zinc/48/75/34/586487534.db2.gz ZRCYNXWZOVIACP-SNVBAGLBSA-N 1 2 226.320 0.764 20 0 BCADLO OC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C[C@H]1O ZINC000808752049 586487852 /nfs/dbraw/zinc/48/78/52/586487852.db2.gz VOTIGOYHHAPYPS-XBFYPUGGSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C[C@H]1O ZINC000808752049 586487853 /nfs/dbraw/zinc/48/78/53/586487853.db2.gz VOTIGOYHHAPYPS-XBFYPUGGSA-N 1 2 240.130 0.981 20 0 BCADLO COCCOCC[N@H+](C)Cc1nonc1C ZINC000808792086 586490328 /nfs/dbraw/zinc/49/03/28/586490328.db2.gz SIOWKSASCADSAF-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO COCCOCC[N@@H+](C)Cc1nonc1C ZINC000808792086 586490329 /nfs/dbraw/zinc/49/03/29/586490329.db2.gz SIOWKSASCADSAF-UHFFFAOYSA-N 1 2 229.280 0.473 20 0 BCADLO CN1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000809565690 586507387 /nfs/dbraw/zinc/50/73/87/586507387.db2.gz ORUMUFVFNNNGGA-LLVKDONJSA-N 1 2 217.272 0.628 20 0 BCADLO CN1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000809565690 586507388 /nfs/dbraw/zinc/50/73/88/586507388.db2.gz ORUMUFVFNNNGGA-LLVKDONJSA-N 1 2 217.272 0.628 20 0 BCADLO CC(C)n1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000809650297 586510699 /nfs/dbraw/zinc/51/06/99/586510699.db2.gz UMDXAVYDEYURPO-CMPLNLGQSA-N 1 2 236.319 0.673 20 0 BCADLO CC(C)n1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)nn1 ZINC000809650297 586510701 /nfs/dbraw/zinc/51/07/01/586510701.db2.gz UMDXAVYDEYURPO-CMPLNLGQSA-N 1 2 236.319 0.673 20 0 BCADLO Cc1nonc1C[NH2+]Cc1cnc2cnccn12 ZINC000809744423 586516757 /nfs/dbraw/zinc/51/67/57/586516757.db2.gz KNVQLIWYSVFIJE-UHFFFAOYSA-N 1 2 244.258 0.711 20 0 BCADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cncnc1 ZINC000809763802 586518672 /nfs/dbraw/zinc/51/86/72/586518672.db2.gz DKWAWIBAFFCQDZ-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cncnc1 ZINC000809763802 586518673 /nfs/dbraw/zinc/51/86/73/586518673.db2.gz DKWAWIBAFFCQDZ-VIFPVBQESA-N 1 2 220.276 0.187 20 0 BCADLO CO[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809940590 586524801 /nfs/dbraw/zinc/52/48/01/586524801.db2.gz NHXSKMVZUBMCKW-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO CO[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809940590 586524802 /nfs/dbraw/zinc/52/48/02/586524802.db2.gz NHXSKMVZUBMCKW-JTQLQIEISA-N 1 2 210.281 0.426 20 0 BCADLO Cn1ncc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000809966061 586526915 /nfs/dbraw/zinc/52/69/15/586526915.db2.gz SIJSPEIFJRNHEU-SECBINFHSA-N 1 2 212.322 0.752 20 0 BCADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000809966061 586526917 /nfs/dbraw/zinc/52/69/17/586526917.db2.gz SIJSPEIFJRNHEU-SECBINFHSA-N 1 2 212.322 0.752 20 0 BCADLO COCCO[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809986138 586528709 /nfs/dbraw/zinc/52/87/09/586528709.db2.gz ZOGTYDUVIQYUNO-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO COCCO[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809986138 586528710 /nfs/dbraw/zinc/52/87/10/586528710.db2.gz ZOGTYDUVIQYUNO-LLVKDONJSA-N 1 2 240.307 0.052 20 0 BCADLO CO[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1C ZINC000809985867 586528915 /nfs/dbraw/zinc/52/89/15/586528915.db2.gz SZXUUOCDPMPYMX-MWLCHTKSSA-N 1 2 224.308 0.672 20 0 BCADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1C ZINC000809985867 586528917 /nfs/dbraw/zinc/52/89/17/586528917.db2.gz SZXUUOCDPMPYMX-MWLCHTKSSA-N 1 2 224.308 0.672 20 0 BCADLO COC(=O)[C@H]1CC[N@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809985642 586529117 /nfs/dbraw/zinc/52/91/17/586529117.db2.gz RPZHYRVIZFAITP-SCZZXKLOSA-N 1 2 238.291 0.199 20 0 BCADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809985642 586529119 /nfs/dbraw/zinc/52/91/19/586529119.db2.gz RPZHYRVIZFAITP-SCZZXKLOSA-N 1 2 238.291 0.199 20 0 BCADLO Cn1nnc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000809990881 586529136 /nfs/dbraw/zinc/52/91/36/586529136.db2.gz LQSGZKCZJVKGTK-UHFFFAOYSA-N 1 2 232.247 0.257 20 0 BCADLO C[C@@]1([NH2+]CCCN2CCCC2=O)CCOC1=O ZINC000810095109 586533512 /nfs/dbraw/zinc/53/35/12/586533512.db2.gz HXYMOJTWEGUAIV-GFCCVEGCSA-N 1 2 240.303 0.294 20 0 BCADLO CC(C)COC[C@H](O)C[NH2+][C@@]1(C)CCOC1=O ZINC000810096400 586533566 /nfs/dbraw/zinc/53/35/66/586533566.db2.gz MKUFFNMPWUBYQG-PWSUYJOCSA-N 1 2 245.319 0.315 20 0 BCADLO C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C ZINC000810091543 586533589 /nfs/dbraw/zinc/53/35/89/586533589.db2.gz AKBOAEPUEMSTEU-NTSWFWBYSA-N 1 2 230.205 0.953 20 0 BCADLO O=C(Cc1cncnc1)OCCCn1cc[nH+]c1 ZINC000811330172 586558421 /nfs/dbraw/zinc/55/84/21/586558421.db2.gz SXANESOUMNKVJU-UHFFFAOYSA-N 1 2 246.270 0.849 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)CCn1cccc1 ZINC000811588553 586561799 /nfs/dbraw/zinc/56/17/99/586561799.db2.gz MMTBMIMWRUHRTR-UHFFFAOYSA-N 1 2 232.287 0.928 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(F)cn1 ZINC000811588585 586561803 /nfs/dbraw/zinc/56/18/03/586561803.db2.gz OQUKKYBUTNKRBJ-UHFFFAOYSA-N 1 2 248.261 0.813 20 0 BCADLO CC(C)(O)CONc1cc(-n2cc[nH+]c2)ncn1 ZINC000811839857 586567689 /nfs/dbraw/zinc/56/76/89/586567689.db2.gz SYLHOEWODQFQRB-UHFFFAOYSA-N 1 2 249.274 0.777 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)C1=COCC1 ZINC000811924842 586568579 /nfs/dbraw/zinc/56/85/79/586568579.db2.gz LNSQJKLOUMMYQR-UHFFFAOYSA-N 1 2 207.233 0.341 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOC/C=C\Cl ZINC000812403624 586575913 /nfs/dbraw/zinc/57/59/13/586575913.db2.gz ULTJBQOWIVTHCO-IWQZZHSRSA-N 1 2 248.710 0.509 20 0 BCADLO Cn1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)nn1 ZINC000812701442 586582914 /nfs/dbraw/zinc/58/29/14/586582914.db2.gz RPHDRVRTDAQXMD-QMMMGPOBSA-N 1 2 246.274 0.213 20 0 BCADLO CCN(CC(=O)NC)c1cc(NC2CC2)[nH+]cn1 ZINC000840266866 586583799 /nfs/dbraw/zinc/58/37/99/586583799.db2.gz ALIQWXDRBUBBHJ-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CCN(CC(=O)NC)c1cc(NC2CC2)nc[nH+]1 ZINC000840266866 586583800 /nfs/dbraw/zinc/58/38/00/586583800.db2.gz ALIQWXDRBUBBHJ-UHFFFAOYSA-N 1 2 249.318 0.623 20 0 BCADLO CC(C)OCCONC(=O)CCn1cc[nH+]c1 ZINC000812806346 586586903 /nfs/dbraw/zinc/58/69/03/586586903.db2.gz YKPSPLHQWFTCLB-UHFFFAOYSA-N 1 2 241.291 0.746 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](CC)[C@@H]1CCOC1 ZINC000812879365 586588100 /nfs/dbraw/zinc/58/81/00/586588100.db2.gz PAKUVDVXRPEHEM-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](CC)[C@@H]1CCOC1 ZINC000812879365 586588101 /nfs/dbraw/zinc/58/81/01/586588101.db2.gz PAKUVDVXRPEHEM-LLVKDONJSA-N 1 2 249.376 0.922 20 0 BCADLO NC(COC[C@H]1CCOC1)=[NH+]O[C@H]1CCOC1 ZINC000842662415 586589137 /nfs/dbraw/zinc/58/91/37/586589137.db2.gz SIFIHTJSFIJXSY-UWVGGRQHSA-N 1 2 244.291 0.327 20 0 BCADLO Cn1ncc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1 ZINC000815129561 586668530 /nfs/dbraw/zinc/66/85/30/586668530.db2.gz BZWMNBREMCQRPF-SECBINFHSA-N 1 2 232.291 0.185 20 0 BCADLO CCn1nncc1C(=O)OCCCn1cc[nH+]c1 ZINC000815529930 586687359 /nfs/dbraw/zinc/68/73/59/586687359.db2.gz QOBPLRKQQPWJHE-UHFFFAOYSA-N 1 2 249.274 0.742 20 0 BCADLO CCn1nc(C)c(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000815547956 586687539 /nfs/dbraw/zinc/68/75/39/586687539.db2.gz HQQXMPVFLYLIPR-UHFFFAOYSA-N 1 2 248.290 0.302 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000815547789 586687577 /nfs/dbraw/zinc/68/75/77/586687577.db2.gz CAOUWDAIRGDHND-UHFFFAOYSA-N 1 2 232.243 0.523 20 0 BCADLO CCn1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000815563082 586687952 /nfs/dbraw/zinc/68/79/52/586687952.db2.gz SYKKWUXYPPRHML-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000815667058 586691201 /nfs/dbraw/zinc/69/12/01/586691201.db2.gz TYAHEJIKSNKXJI-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO O=Cc1c[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000815667058 586691202 /nfs/dbraw/zinc/69/12/02/586691202.db2.gz TYAHEJIKSNKXJI-UHFFFAOYSA-N 1 2 218.216 0.480 20 0 BCADLO Cn1ncc(C[N@H+](CCO)CCCO)c1Cl ZINC000816508891 586737518 /nfs/dbraw/zinc/73/75/18/586737518.db2.gz XZZDRTLXYPSYIL-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO Cn1ncc(C[N@@H+](CCO)CCCO)c1Cl ZINC000816508891 586737519 /nfs/dbraw/zinc/73/75/19/586737519.db2.gz XZZDRTLXYPSYIL-UHFFFAOYSA-N 1 2 247.726 0.250 20 0 BCADLO CC(=O)C1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000816643161 586748098 /nfs/dbraw/zinc/74/80/98/586748098.db2.gz WTWVTNKOAGEYLM-JTQLQIEISA-N 1 2 247.298 0.683 20 0 BCADLO O=C(C1=COCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000816651281 586752550 /nfs/dbraw/zinc/75/25/50/586752550.db2.gz BDXLFFOLLVDZJQ-UHFFFAOYSA-N 1 2 233.271 0.989 20 0 BCADLO O=C(C1=COCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000816651281 586752552 /nfs/dbraw/zinc/75/25/52/586752552.db2.gz BDXLFFOLLVDZJQ-UHFFFAOYSA-N 1 2 233.271 0.989 20 0 BCADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000816806636 586765024 /nfs/dbraw/zinc/76/50/24/586765024.db2.gz IKOGPOGJFPJILC-UHFFFAOYSA-N 1 2 232.243 0.995 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccccn1 ZINC000816829128 586766925 /nfs/dbraw/zinc/76/69/25/586766925.db2.gz BJYULHPSJRVPFL-UHFFFAOYSA-N 1 2 230.271 0.706 20 0 BCADLO C[C@@H](Cn1cccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816862134 586769158 /nfs/dbraw/zinc/76/91/58/586769158.db2.gz XCUJTONTPMIUKQ-VIFPVBQESA-N 1 2 233.275 0.354 20 0 BCADLO COc1ncccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816887737 586769416 /nfs/dbraw/zinc/76/94/16/586769416.db2.gz NPJUDIXBLCMPAY-UHFFFAOYSA-N 1 2 232.243 0.995 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccoc1 ZINC000816902647 586770688 /nfs/dbraw/zinc/77/06/88/586770688.db2.gz ZONSDKTUQONZAW-UHFFFAOYSA-N 1 2 205.217 0.862 20 0 BCADLO CN(C[C@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816921117 586771301 /nfs/dbraw/zinc/77/13/01/586771301.db2.gz LZNHNRZIDOVQML-SNVBAGLBSA-N 1 2 237.303 0.837 20 0 BCADLO CC[C@H](CCO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816946367 586772367 /nfs/dbraw/zinc/77/23/67/586772367.db2.gz JXSBXJORQLHLME-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO Cc1cc(C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000816948926 586772741 /nfs/dbraw/zinc/77/27/41/586772741.db2.gz KKWOLFZDYRAKQL-MRVPVSSYSA-N 1 2 247.302 0.731 20 0 BCADLO Cc1cnccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816972144 586775788 /nfs/dbraw/zinc/77/57/88/586775788.db2.gz CDZIUYDVHWQQFO-UHFFFAOYSA-N 1 2 230.271 0.972 20 0 BCADLO COC/C=C/C(=O)NCc1c[nH+]ccc1OC ZINC000817087053 586781125 /nfs/dbraw/zinc/78/11/25/586781125.db2.gz LIEOHNQDEHDCTG-ONEGZZNKSA-N 1 2 236.271 0.909 20 0 BCADLO COC/C=C\C(=O)NCc1c[nH+]ccc1OC ZINC000817087052 586781504 /nfs/dbraw/zinc/78/15/04/586781504.db2.gz LIEOHNQDEHDCTG-ARJAWSKDSA-N 1 2 236.271 0.909 20 0 BCADLO O=C(NOCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000817329823 586795432 /nfs/dbraw/zinc/79/54/32/586795432.db2.gz DYVQCJIHPMLNSV-SNVBAGLBSA-N 1 2 235.287 0.903 20 0 BCADLO O=C(CC[NH+]1CCOCC1)NOCCC1CC1 ZINC000817399230 586800673 /nfs/dbraw/zinc/80/06/73/586800673.db2.gz HCSZWUJTQDNOKA-UHFFFAOYSA-N 1 2 242.319 0.557 20 0 BCADLO C[NH+]1CCN(C(=O)[C@@](C)(O)c2ccccc2)CC1 ZINC000817509389 586809417 /nfs/dbraw/zinc/80/94/17/586809417.db2.gz KAOHCCNPPVPNNI-AWEZNQCLSA-N 1 2 248.326 0.668 20 0 BCADLO CCc1nc(COC(=O)Cn2c[nH+]cc2C)n[nH]1 ZINC000859948204 589073379 /nfs/dbraw/zinc/07/33/79/589073379.db2.gz WJRMIESFBCRBSX-UHFFFAOYSA-N 1 2 249.274 0.615 20 0 BCADLO O=C1OCCN1CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859902522 589069972 /nfs/dbraw/zinc/06/99/72/589069972.db2.gz BKNMKVXKSPUHQO-SNVBAGLBSA-N 1 2 246.282 0.499 20 0 BCADLO O=C1OCCN1CC[N@H+]1CCO[C@H](CCF)C1 ZINC000859902522 589069975 /nfs/dbraw/zinc/06/99/75/589069975.db2.gz BKNMKVXKSPUHQO-SNVBAGLBSA-N 1 2 246.282 0.499 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2ccnn2C)n1 ZINC000818220956 586879495 /nfs/dbraw/zinc/87/94/95/586879495.db2.gz LGWFLJYKXPFFFW-UHFFFAOYSA-N 1 2 234.307 0.630 20 0 BCADLO CCn1nc(C)c(C[NH2+]Cc2cnc(C)nc2)n1 ZINC000818220001 586879944 /nfs/dbraw/zinc/87/99/44/586879944.db2.gz FKQNWSAPYYCCIZ-UHFFFAOYSA-N 1 2 246.318 0.995 20 0 BCADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1[nH]nnc1C ZINC000818977694 586919504 /nfs/dbraw/zinc/91/95/04/586919504.db2.gz JYSKZMZZGAAYNF-SECBINFHSA-N 1 2 237.307 0.279 20 0 BCADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nnc1C ZINC000818977694 586919506 /nfs/dbraw/zinc/91/95/06/586919506.db2.gz JYSKZMZZGAAYNF-SECBINFHSA-N 1 2 237.307 0.279 20 0 BCADLO CS(=O)(=O)CC[NH2+]Cc1ncccc1F ZINC000819183958 586936446 /nfs/dbraw/zinc/93/64/46/586936446.db2.gz JMXBXQXYHWSREV-UHFFFAOYSA-N 1 2 232.280 0.355 20 0 BCADLO Cn1cc[nH+]c1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819239480 586941747 /nfs/dbraw/zinc/94/17/47/586941747.db2.gz TUUJQJWUJLDRJN-YEZKRMTDSA-N 1 2 235.287 0.772 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000819265484 586945161 /nfs/dbraw/zinc/94/51/61/586945161.db2.gz GKXDXNBPJGVNLZ-FSIBCCDJSA-N 1 2 235.287 0.804 20 0 BCADLO CCCCCC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000819270778 586946189 /nfs/dbraw/zinc/94/61/89/586946189.db2.gz IKXOSFAYBMZXKQ-JTQLQIEISA-N 1 2 241.339 0.631 20 0 BCADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccns2)C1=O ZINC000860058976 589076812 /nfs/dbraw/zinc/07/68/12/589076812.db2.gz QNXNGUFSTZLRBE-JGVFFNPUSA-N 1 2 241.316 0.956 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000819365998 586957836 /nfs/dbraw/zinc/95/78/36/586957836.db2.gz GJTGCMKDXXPPJP-VIFPVBQESA-N 1 2 245.348 0.505 20 0 BCADLO O=C(/C=C\[C@@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000819535309 586974874 /nfs/dbraw/zinc/97/48/74/586974874.db2.gz QHFWQMLRBNWVAK-MVZIDQBPSA-N 1 2 247.298 0.961 20 0 BCADLO O=C(/C=C\[C@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000819535311 586975151 /nfs/dbraw/zinc/97/51/51/586975151.db2.gz QHFWQMLRBNWVAK-VSQXVHSFSA-N 1 2 247.298 0.961 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)/C=C/[C@H]2CCCO2)c1 ZINC000819561618 586977906 /nfs/dbraw/zinc/97/79/06/586977906.db2.gz DBZRXONSOMHEJH-ZYOFXKKJSA-N 1 2 249.314 0.814 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)/C=C\[C@H]2CCCO2)c1 ZINC000819561616 586977955 /nfs/dbraw/zinc/97/79/55/586977955.db2.gz DBZRXONSOMHEJH-QMAVJUDZSA-N 1 2 249.314 0.814 20 0 BCADLO OCc1cnc(NCCCn2cc[nH+]c2)cn1 ZINC000820598603 587058088 /nfs/dbraw/zinc/05/80/88/587058088.db2.gz GONHWZAPGILKRL-UHFFFAOYSA-N 1 2 233.275 0.668 20 0 BCADLO COCCONC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000820614030 587058944 /nfs/dbraw/zinc/05/89/44/587058944.db2.gz RIXSJUQITLVMAJ-UHFFFAOYSA-N 1 2 249.270 0.951 20 0 BCADLO COCC[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC000820802731 587072767 /nfs/dbraw/zinc/07/27/67/587072767.db2.gz YKPYZTADVNFAGI-UHFFFAOYSA-N 1 2 240.225 0.339 20 0 BCADLO CCOC1CN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000820828138 587075212 /nfs/dbraw/zinc/07/52/12/587075212.db2.gz WPEXVSMRYPGOLV-SNAWJCMRSA-N 1 2 235.287 0.681 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCOCCN1 ZINC000820996042 587086958 /nfs/dbraw/zinc/08/69/58/587086958.db2.gz BGGREVCCOMQKNW-UHFFFAOYSA-N 1 2 246.270 0.540 20 0 BCADLO Cn1cc[nH+]c1CN[C@H](CCO)C(F)(F)F ZINC000821206226 587101629 /nfs/dbraw/zinc/10/16/29/587101629.db2.gz BRMAUAXFJUIHQX-SSDOTTSWSA-N 1 2 237.225 0.823 20 0 BCADLO OCC[C@@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000821207444 587101646 /nfs/dbraw/zinc/10/16/46/587101646.db2.gz RIKTUDWKSTYQDM-ZCFIWIBFSA-N 1 2 223.198 0.813 20 0 BCADLO COC(CN1CCn2c[nH+]cc2C1)OC ZINC000821270130 587104780 /nfs/dbraw/zinc/10/47/80/587104780.db2.gz JJKIGNYIEGETDU-UHFFFAOYSA-N 1 2 211.265 0.318 20 0 BCADLO CC(C)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821347014 587110662 /nfs/dbraw/zinc/11/06/62/587110662.db2.gz AYCZHPJYKQHQTD-NSHDSACASA-N 1 2 226.320 0.718 20 0 BCADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2nonc2c1 ZINC000821368916 587112665 /nfs/dbraw/zinc/11/26/65/587112665.db2.gz PUFHKEDELYDXKW-MRVPVSSYSA-N 1 2 246.270 0.543 20 0 BCADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2nonc2c1 ZINC000821368916 587112666 /nfs/dbraw/zinc/11/26/66/587112666.db2.gz PUFHKEDELYDXKW-MRVPVSSYSA-N 1 2 246.270 0.543 20 0 BCADLO CC[C@@](C)(O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385482 587114914 /nfs/dbraw/zinc/11/49/14/587114914.db2.gz MREDTNRTLWOFPX-GZMMTYOYSA-N 1 2 223.276 0.085 20 0 BCADLO CO[C@@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC000821408283 587118368 /nfs/dbraw/zinc/11/83/68/587118368.db2.gz DVOGDDHMOUAYCH-DTWKUNHWSA-N 1 2 210.281 0.804 20 0 BCADLO CO[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC000821408283 587118369 /nfs/dbraw/zinc/11/83/69/587118369.db2.gz DVOGDDHMOUAYCH-DTWKUNHWSA-N 1 2 210.281 0.804 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NCCC2(CO)CC2)c1 ZINC000821799439 587138791 /nfs/dbraw/zinc/13/87/91/587138791.db2.gz GFFIUPOQSISJIK-NSCUHMNNSA-N 1 2 249.314 0.712 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000822023708 587149734 /nfs/dbraw/zinc/14/97/34/587149734.db2.gz RWHUAQGBGPNEHS-SKNSLPIRSA-N 1 2 249.314 0.711 20 0 BCADLO CCOCCONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822054953 587150465 /nfs/dbraw/zinc/15/04/65/587150465.db2.gz ITPBWTRLSITGES-RKDXNWHRSA-N 1 2 239.275 0.598 20 0 BCADLO CC[NH+]1CCN(C(=O)c2cc(C=O)cn2C)CC1 ZINC000822121699 587154806 /nfs/dbraw/zinc/15/48/06/587154806.db2.gz KKOCBKYFIJROLG-UHFFFAOYSA-N 1 2 249.314 0.615 20 0 BCADLO COC(OC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000822593736 587177147 /nfs/dbraw/zinc/17/71/47/587177147.db2.gz LCZYYOZCCKBWIS-UHFFFAOYSA-N 1 2 235.243 0.892 20 0 BCADLO COC[C@]1(C)C[N@H+](CC[S@](C)=O)CCO1 ZINC000860202653 589089378 /nfs/dbraw/zinc/08/93/78/589089378.db2.gz PCECEGGAGHGNBN-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO COC[C@]1(C)C[N@@H+](CC[S@](C)=O)CCO1 ZINC000860202653 589089380 /nfs/dbraw/zinc/08/93/80/589089380.db2.gz PCECEGGAGHGNBN-BONVTDFDSA-N 1 2 235.349 0.102 20 0 BCADLO COC[C@@]1(C)C[N@H+](CC[S@](C)=O)CCO1 ZINC000860202652 589089507 /nfs/dbraw/zinc/08/95/07/589089507.db2.gz PCECEGGAGHGNBN-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO COC[C@@]1(C)C[N@@H+](CC[S@](C)=O)CCO1 ZINC000860202652 589089509 /nfs/dbraw/zinc/08/95/09/589089509.db2.gz PCECEGGAGHGNBN-BMIGLBTASA-N 1 2 235.349 0.102 20 0 BCADLO COC/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952348 587195208 /nfs/dbraw/zinc/19/52/08/587195208.db2.gz QYRMYXICSNLGKR-UFFNRZRYSA-N 1 2 242.319 0.026 20 0 BCADLO COC/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952348 587195209 /nfs/dbraw/zinc/19/52/09/587195209.db2.gz QYRMYXICSNLGKR-UFFNRZRYSA-N 1 2 242.319 0.026 20 0 BCADLO COC(=O)C[C@H]([NH3+])c1nc(-c2ccco2)no1 ZINC000823065266 587200774 /nfs/dbraw/zinc/20/07/74/587200774.db2.gz XSJXAANEFWCMRT-LURJTMIESA-N 1 2 237.215 0.893 20 0 BCADLO C[C@@H]1CC[C@H](O)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000823107475 587203148 /nfs/dbraw/zinc/20/31/48/587203148.db2.gz DAHIRQMUSGLFEK-RDVLDQKLSA-N 1 2 249.314 0.805 20 0 BCADLO C[C@@H]1CC[C@@H](O)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000823107473 587203489 /nfs/dbraw/zinc/20/34/89/587203489.db2.gz DAHIRQMUSGLFEK-INCYKZHSSA-N 1 2 249.314 0.805 20 0 BCADLO CC[C@H]1CN(C)CC[N@@H+]1CCN1CCOC1=O ZINC000823200510 587208216 /nfs/dbraw/zinc/20/82/16/587208216.db2.gz XRGYADXMRMQKLQ-NSHDSACASA-N 1 2 241.335 0.465 20 0 BCADLO CC[C@H]1CN(C)CC[N@H+]1CCN1CCOC1=O ZINC000823200510 587208218 /nfs/dbraw/zinc/20/82/18/587208218.db2.gz XRGYADXMRMQKLQ-NSHDSACASA-N 1 2 241.335 0.465 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)C12CC(C1)C2 ZINC000860270411 589091962 /nfs/dbraw/zinc/09/19/62/589091962.db2.gz JQWSJXAXDUPBOQ-UHFFFAOYSA-N 1 2 225.288 0.662 20 0 BCADLO COC[C@H]([NH3+])c1nc(-c2ccsn2)no1 ZINC000823264655 587212548 /nfs/dbraw/zinc/21/25/48/587212548.db2.gz VRPDYGFBNQWUMR-YFKPBYRVSA-N 1 2 226.261 0.839 20 0 BCADLO CCn1nc(C)c(C[N@H+](CC)CCO)n1 ZINC000823379415 587218835 /nfs/dbraw/zinc/21/88/35/587218835.db2.gz HUYPVOCSYZMWIE-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CC)CCO)n1 ZINC000823379415 587218837 /nfs/dbraw/zinc/21/88/37/587218837.db2.gz HUYPVOCSYZMWIE-UHFFFAOYSA-N 1 2 212.297 0.421 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000823498084 587227787 /nfs/dbraw/zinc/22/77/87/587227787.db2.gz WTKPGKABIQCYCW-SNVBAGLBSA-N 1 2 212.293 0.269 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000823498084 587227788 /nfs/dbraw/zinc/22/77/88/587227788.db2.gz WTKPGKABIQCYCW-SNVBAGLBSA-N 1 2 212.293 0.269 20 0 BCADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CO1 ZINC000823696330 587236859 /nfs/dbraw/zinc/23/68/59/587236859.db2.gz CCKHHUGDXDCARB-ZVECUQNESA-N 1 2 235.287 0.727 20 0 BCADLO CON(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000823794005 587240816 /nfs/dbraw/zinc/24/08/16/587240816.db2.gz WGFGKCDTWSYFHC-SSDOTTSWSA-N 1 2 212.253 0.684 20 0 BCADLO CON(C)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824451760 587270957 /nfs/dbraw/zinc/27/09/57/587270957.db2.gz VVLNBTDUEGTHLT-PLNGDYQASA-N 1 2 238.291 0.043 20 0 BCADLO CON(C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000824567844 587276494 /nfs/dbraw/zinc/27/64/94/587276494.db2.gz QFNBBDCDGUZWRZ-UHFFFAOYSA-N 1 2 240.307 0.260 20 0 BCADLO CON(C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000824567844 587276496 /nfs/dbraw/zinc/27/64/96/587276496.db2.gz QFNBBDCDGUZWRZ-UHFFFAOYSA-N 1 2 240.307 0.260 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824628476 587280311 /nfs/dbraw/zinc/28/03/11/587280311.db2.gz GHTKYTOTCXNZMX-LVEVGFFFSA-N 1 2 247.298 0.792 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824628476 587280312 /nfs/dbraw/zinc/28/03/12/587280312.db2.gz GHTKYTOTCXNZMX-LVEVGFFFSA-N 1 2 247.298 0.792 20 0 BCADLO CCC[C@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629432 587280334 /nfs/dbraw/zinc/28/03/34/587280334.db2.gz SWHJTGLTUJGROJ-VIFPVBQESA-N 1 2 211.265 0.529 20 0 BCADLO CCC[C@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629432 587280335 /nfs/dbraw/zinc/28/03/35/587280335.db2.gz SWHJTGLTUJGROJ-VIFPVBQESA-N 1 2 211.265 0.529 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(n2cccn2)CC1 ZINC000824629827 587280347 /nfs/dbraw/zinc/28/03/47/587280347.db2.gz YWUXYQVDNXOGHB-UHFFFAOYSA-N 1 2 245.286 0.754 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(n2cccn2)CC1 ZINC000824629827 587280348 /nfs/dbraw/zinc/28/03/48/587280348.db2.gz YWUXYQVDNXOGHB-UHFFFAOYSA-N 1 2 245.286 0.754 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H](CO)C2CCC2)c1 ZINC000824753764 587286170 /nfs/dbraw/zinc/28/61/70/587286170.db2.gz OELNTQQYUWLKGC-BTDICHCPSA-N 1 2 249.314 0.711 20 0 BCADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCN1C=O ZINC000824895356 587292372 /nfs/dbraw/zinc/29/23/72/587292372.db2.gz VENDPICUAVBWKJ-JTQLQIEISA-N 1 2 249.270 0.650 20 0 BCADLO CCn1ccc(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000824955971 587294369 /nfs/dbraw/zinc/29/43/69/587294369.db2.gz DJXISQWLZMEUMX-UHFFFAOYSA-N 1 2 248.290 0.958 20 0 BCADLO C[C@@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC000824972885 587295899 /nfs/dbraw/zinc/29/58/99/587295899.db2.gz AROATDCQMAKPOS-UWVGGRQHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H](C[NH2+][C@H]1CCN(C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC000824972885 587295900 /nfs/dbraw/zinc/29/59/00/587295900.db2.gz AROATDCQMAKPOS-UWVGGRQHSA-N 1 2 241.335 0.811 20 0 BCADLO C[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1(CO)CC1 ZINC000825009416 587298572 /nfs/dbraw/zinc/29/85/72/587298572.db2.gz IFRWQANDDGELNF-UMBAGQNISA-N 1 2 249.314 0.711 20 0 BCADLO COC[C@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000825294638 587313184 /nfs/dbraw/zinc/31/31/84/587313184.db2.gz VGDXEXLLPLFTPC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO COC[C@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000825294638 587313186 /nfs/dbraw/zinc/31/31/86/587313186.db2.gz VGDXEXLLPLFTPC-LLVKDONJSA-N 1 2 224.308 0.816 20 0 BCADLO CC[C@](C)(O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825531554 587323699 /nfs/dbraw/zinc/32/36/99/587323699.db2.gz LRDRPJMBEUGGFO-LBPRGKRZSA-N 1 2 239.319 0.895 20 0 BCADLO C[C@H](NC(=O)c1cc(=O)cc[nH]1)c1[nH+]ccn1C ZINC000825539787 587324377 /nfs/dbraw/zinc/32/43/77/587324377.db2.gz NCZPWJNOKYETKZ-QMMMGPOBSA-N 1 2 246.270 0.599 20 0 BCADLO CCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000825544871 587324563 /nfs/dbraw/zinc/32/45/63/587324563.db2.gz OVPHVTREDCYTKF-QMMMGPOBSA-N 1 2 248.290 0.523 20 0 BCADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000825621096 587327705 /nfs/dbraw/zinc/32/77/05/587327705.db2.gz IOJRZKCLXAJIJL-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000825628531 587328099 /nfs/dbraw/zinc/32/80/99/587328099.db2.gz AHESXNCHVAMBSL-MFKMUULPSA-N 1 2 248.330 0.817 20 0 BCADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000825628531 587328101 /nfs/dbraw/zinc/32/81/01/587328101.db2.gz AHESXNCHVAMBSL-MFKMUULPSA-N 1 2 248.330 0.817 20 0 BCADLO C[C@@H](O)C1(NC(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000825677168 587331132 /nfs/dbraw/zinc/33/11/32/587331132.db2.gz AYGSERBLSZPNIV-ZBJFTSOASA-N 1 2 235.287 0.463 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC3(COC3)C2)c1 ZINC000825934958 587346459 /nfs/dbraw/zinc/34/64/59/587346459.db2.gz WQROTVOVVOODPC-NSCUHMNNSA-N 1 2 247.298 0.682 20 0 BCADLO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCOC2)[nH+]1 ZINC000826275517 587351406 /nfs/dbraw/zinc/35/14/06/587351406.db2.gz BQKFPZUWZRCQJO-QMMMGPOBSA-N 1 2 246.274 0.771 20 0 BCADLO Cc1cc[nH+]c(NC(C)(C)CO)c1-c1nn[nH]n1 ZINC000826311765 587351975 /nfs/dbraw/zinc/35/19/75/587351975.db2.gz MSBWFZJGAQJLPJ-UHFFFAOYSA-N 1 2 248.290 0.753 20 0 BCADLO CO[C@@]1(C)C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826577484 587355538 /nfs/dbraw/zinc/35/55/38/587355538.db2.gz XVZFGEPOWHJIBI-SFLCEZBHSA-N 1 2 235.287 0.727 20 0 BCADLO CCNC(=O)C[NH2+]Cc1cc(F)ncc1F ZINC000827005664 587367707 /nfs/dbraw/zinc/36/77/07/587367707.db2.gz IIRYJQIGYHGFFG-UHFFFAOYSA-N 1 2 229.230 0.586 20 0 BCADLO CC[N@H+]1C[C@H]([NH2+]CC(C)(C)NC(=O)[O-])[C@@H](C)C1 ZINC000827198964 587372516 /nfs/dbraw/zinc/37/25/16/587372516.db2.gz MQYLTAQOXVTBNT-UWVGGRQHSA-N 1 2 243.351 0.962 20 0 BCADLO CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)NC(=O)[O-])[C@@H](C)C1 ZINC000827198964 587372517 /nfs/dbraw/zinc/37/25/17/587372517.db2.gz MQYLTAQOXVTBNT-UWVGGRQHSA-N 1 2 243.351 0.962 20 0 BCADLO COC1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000827400592 587380056 /nfs/dbraw/zinc/38/00/56/587380056.db2.gz BRHJADGRRORPCY-QMMMGPOBSA-N 1 2 235.287 0.372 20 0 BCADLO COC1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000827400592 587380057 /nfs/dbraw/zinc/38/00/57/587380057.db2.gz BRHJADGRRORPCY-QMMMGPOBSA-N 1 2 235.287 0.372 20 0 BCADLO CCCNC(=O)C[N@H+](CCC)CC[S@](C)=O ZINC000827442932 587381762 /nfs/dbraw/zinc/38/17/62/587381762.db2.gz VCXLPYWTNMCIKV-INIZCTEOSA-N 1 2 248.392 0.603 20 0 BCADLO CCCNC(=O)C[N@@H+](CCC)CC[S@](C)=O ZINC000827442932 587381764 /nfs/dbraw/zinc/38/17/64/587381764.db2.gz VCXLPYWTNMCIKV-INIZCTEOSA-N 1 2 248.392 0.603 20 0 BCADLO Cc1c[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC000827582809 587390166 /nfs/dbraw/zinc/39/01/66/587390166.db2.gz ZUYNGTGTIXONQZ-ULHKAFAUSA-N 1 2 247.298 0.758 20 0 BCADLO CCc1c[nH+]ccc1NC(=O)c1cn(C)c(=O)[nH]1 ZINC000827715415 587398654 /nfs/dbraw/zinc/39/86/54/587398654.db2.gz LEZMLMHIAKRJQA-UHFFFAOYSA-N 1 2 246.270 0.757 20 0 BCADLO COC(=O)NC1CC[NH+](Cc2cocn2)CC1 ZINC000827929803 587410727 /nfs/dbraw/zinc/41/07/27/587410727.db2.gz XKNSVXYFPCPNCU-UHFFFAOYSA-N 1 2 239.275 0.995 20 0 BCADLO CO[C@@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000827975786 587414521 /nfs/dbraw/zinc/41/45/21/587414521.db2.gz MJCOITZZZSQPDL-SNVBAGLBSA-N 1 2 236.319 0.913 20 0 BCADLO CO[C@@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000827975786 587414522 /nfs/dbraw/zinc/41/45/22/587414522.db2.gz MJCOITZZZSQPDL-SNVBAGLBSA-N 1 2 236.319 0.913 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CC[S@](C)=O)C1CC1 ZINC000828121219 587419989 /nfs/dbraw/zinc/41/99/89/587419989.db2.gz ARBZVYHDFQKGQT-BONVTDFDSA-N 1 2 233.333 0.296 20 0 BCADLO C[C@@H]1CN(CC[S@](C)=O)[C@@H](C)C[N@@H+]1C ZINC000828127094 587420186 /nfs/dbraw/zinc/42/01/86/587420186.db2.gz BXZBMYKVHFBDMF-BFVZDQMLSA-N 1 2 218.366 0.389 20 0 BCADLO C[C@@H]1CN(CC[S@](C)=O)[C@@H](C)C[N@H+]1C ZINC000828127094 587420188 /nfs/dbraw/zinc/42/01/88/587420188.db2.gz BXZBMYKVHFBDMF-BFVZDQMLSA-N 1 2 218.366 0.389 20 0 BCADLO CSC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828224989 587425748 /nfs/dbraw/zinc/42/57/48/587425748.db2.gz PMCLUXNGJHIJIT-SSDOTTSWSA-N 1 2 213.306 0.820 20 0 BCADLO C[C@H](O)[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828300025 587432798 /nfs/dbraw/zinc/43/27/98/587432798.db2.gz OVZWHCVFCFFMLC-CPCISQLKSA-N 1 2 249.270 0.034 20 0 BCADLO CCCONC(=O)NCc1c[nH+]cn1C ZINC000828334139 587436465 /nfs/dbraw/zinc/43/64/65/587436465.db2.gz JZFAAGWUEAIKCA-UHFFFAOYSA-N 1 2 212.253 0.561 20 0 BCADLO CCCONC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000828338647 587436826 /nfs/dbraw/zinc/43/68/26/587436826.db2.gz ORLUPLCJLJFYMK-QMMMGPOBSA-N 1 2 224.264 0.969 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000828360546 587438344 /nfs/dbraw/zinc/43/83/44/587438344.db2.gz CWVGGDPYRRGCIP-MRVPVSSYSA-N 1 2 208.221 0.191 20 0 BCADLO CC1=NO[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000828360546 587438346 /nfs/dbraw/zinc/43/83/46/587438346.db2.gz CWVGGDPYRRGCIP-MRVPVSSYSA-N 1 2 208.221 0.191 20 0 BCADLO CCCN1CCC[N@H+](CC[S@](C)=O)CC1=O ZINC000828415809 587441088 /nfs/dbraw/zinc/44/10/88/587441088.db2.gz XTJWBZDGWUXPGJ-INIZCTEOSA-N 1 2 246.376 0.309 20 0 BCADLO CCCN1CCC[N@@H+](CC[S@](C)=O)CC1=O ZINC000828415809 587441089 /nfs/dbraw/zinc/44/10/89/587441089.db2.gz XTJWBZDGWUXPGJ-INIZCTEOSA-N 1 2 246.376 0.309 20 0 BCADLO C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480195 587444936 /nfs/dbraw/zinc/44/49/36/587444936.db2.gz DZGRUEKVMWJAIM-NXEZZACHSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000828480195 587444937 /nfs/dbraw/zinc/44/49/37/587444937.db2.gz DZGRUEKVMWJAIM-NXEZZACHSA-N 1 2 227.308 0.423 20 0 BCADLO C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000828482341 587445202 /nfs/dbraw/zinc/44/52/02/587445202.db2.gz XDZHTABUPWWLTC-LLVKDONJSA-N 1 2 241.335 0.766 20 0 BCADLO C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000828482341 587445204 /nfs/dbraw/zinc/44/52/04/587445204.db2.gz XDZHTABUPWWLTC-LLVKDONJSA-N 1 2 241.335 0.766 20 0 BCADLO CC(C)CC(=O)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000828597438 587452888 /nfs/dbraw/zinc/45/28/88/587452888.db2.gz YXGNUJQOWZESME-JTQLQIEISA-N 1 2 226.320 0.812 20 0 BCADLO CC(C)CC(=O)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000828597438 587452889 /nfs/dbraw/zinc/45/28/89/587452889.db2.gz YXGNUJQOWZESME-JTQLQIEISA-N 1 2 226.320 0.812 20 0 BCADLO COC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000828660150 587455859 /nfs/dbraw/zinc/45/58/59/587455859.db2.gz JNHDIFQEWPSFCV-VIFPVBQESA-N 1 2 225.292 0.739 20 0 BCADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3COC[C@@H]3C2)c1 ZINC000828763200 587460713 /nfs/dbraw/zinc/46/07/13/587460713.db2.gz KKHBGLXAPJXRKV-GOYQAJIHSA-N 1 2 247.298 0.538 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000828773567 587461160 /nfs/dbraw/zinc/46/11/60/587461160.db2.gz GUWCHEPTUXKQNK-ZETCQYMHSA-N 1 2 240.332 0.623 20 0 BCADLO Cc1nnc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000828773567 587461161 /nfs/dbraw/zinc/46/11/61/587461161.db2.gz GUWCHEPTUXKQNK-ZETCQYMHSA-N 1 2 240.332 0.623 20 0 BCADLO CCC(CC)([NH2+]CC[S@@](C)=O)C(=O)OC ZINC000828846230 587466257 /nfs/dbraw/zinc/46/62/57/587466257.db2.gz BUICXDHFJITOGZ-OAHLLOKOSA-N 1 2 235.349 0.686 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccn(CCF)n1 ZINC000828877804 587468140 /nfs/dbraw/zinc/46/81/40/587468140.db2.gz BSMYIAQJMABAAL-UHFFFAOYSA-N 1 2 237.238 0.757 20 0 BCADLO OCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125909 587483943 /nfs/dbraw/zinc/48/39/43/587483943.db2.gz SIXOGUMYXNJWLJ-UHFFFAOYSA-N 1 2 227.695 0.871 20 0 BCADLO OCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125909 587483944 /nfs/dbraw/zinc/48/39/44/587483944.db2.gz SIXOGUMYXNJWLJ-UHFFFAOYSA-N 1 2 227.695 0.871 20 0 BCADLO CO[C@H]1C[C@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000829191902 587487771 /nfs/dbraw/zinc/48/77/71/587487771.db2.gz MMQHLGRKHAOUEW-UPMXPUHQSA-N 1 2 249.314 0.975 20 0 BCADLO C(C1OCCO1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829262559 587490463 /nfs/dbraw/zinc/49/04/63/587490463.db2.gz VTLXDYXZHYWGGR-NSHDSACASA-N 1 2 245.344 0.567 20 0 BCADLO C(C1OCCO1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829262559 587490464 /nfs/dbraw/zinc/49/04/64/587490464.db2.gz VTLXDYXZHYWGGR-NSHDSACASA-N 1 2 245.344 0.567 20 0 BCADLO CC[C@H](C)[N@H+](CC[S@](C)=O)CC(=O)OC ZINC000829444091 587497560 /nfs/dbraw/zinc/49/75/60/587497560.db2.gz UXMFZUKKFIUNAO-VFZGTOFNSA-N 1 2 235.349 0.638 20 0 BCADLO CC[C@H](C)[N@@H+](CC[S@](C)=O)CC(=O)OC ZINC000829444091 587497561 /nfs/dbraw/zinc/49/75/61/587497561.db2.gz UXMFZUKKFIUNAO-VFZGTOFNSA-N 1 2 235.349 0.638 20 0 BCADLO C/C=C\C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471929 587499338 /nfs/dbraw/zinc/49/93/38/587499338.db2.gz JILPJHNIYIOPGE-ARJAWSKDSA-N 1 2 220.276 0.843 20 0 BCADLO C/C=C\C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471929 587499339 /nfs/dbraw/zinc/49/93/39/587499339.db2.gz JILPJHNIYIOPGE-ARJAWSKDSA-N 1 2 220.276 0.843 20 0 BCADLO CSCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829467666 587499385 /nfs/dbraw/zinc/49/93/85/587499385.db2.gz UXEPWFXSEAZWDI-UHFFFAOYSA-N 1 2 240.332 0.630 20 0 BCADLO CSCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829467666 587499386 /nfs/dbraw/zinc/49/93/86/587499386.db2.gz UXEPWFXSEAZWDI-UHFFFAOYSA-N 1 2 240.332 0.630 20 0 BCADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000829505321 587500836 /nfs/dbraw/zinc/50/08/36/587500836.db2.gz JMGIGERGTXNFCN-WCBMZHEXSA-N 1 2 237.246 0.292 20 0 BCADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000829505321 587500837 /nfs/dbraw/zinc/50/08/37/587500837.db2.gz JMGIGERGTXNFCN-WCBMZHEXSA-N 1 2 237.246 0.292 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCOc2ccncc21 ZINC000829762745 587514326 /nfs/dbraw/zinc/51/43/26/587514326.db2.gz FOTLJGUBBDFHBX-UHFFFAOYSA-N 1 2 244.254 0.773 20 0 BCADLO CCOC(=O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829767225 587514704 /nfs/dbraw/zinc/51/47/04/587514704.db2.gz DJOYPDJNURMGQK-MRVPVSSYSA-N 1 2 239.275 0.268 20 0 BCADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000829826864 587520655 /nfs/dbraw/zinc/52/06/55/587520655.db2.gz UBNZEGMODPPQTM-SSDOTTSWSA-N 1 2 225.248 0.020 20 0 BCADLO Cc1cccc(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000830134149 587538238 /nfs/dbraw/zinc/53/82/38/587538238.db2.gz BDXGVORQZAJJOX-LBPRGKRZSA-N 1 2 246.310 0.998 20 0 BCADLO Cc1cccc(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000830134149 587538239 /nfs/dbraw/zinc/53/82/39/587538239.db2.gz BDXGVORQZAJJOX-LBPRGKRZSA-N 1 2 246.310 0.998 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000830223080 587542320 /nfs/dbraw/zinc/54/23/20/587542320.db2.gz NHFAMQZLOFTJIB-QKXNICGJSA-N 1 2 235.287 0.584 20 0 BCADLO CC[C@@H](C)[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830241869 587543374 /nfs/dbraw/zinc/54/33/74/587543374.db2.gz BOVSUVCXISVMMX-RKDXNWHRSA-N 1 2 225.292 0.475 20 0 BCADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](F)C2)CCO1 ZINC000830461592 587552065 /nfs/dbraw/zinc/55/20/65/587552065.db2.gz AZRQBNBIQNCZEM-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](F)C2)CCO1 ZINC000830461592 587552066 /nfs/dbraw/zinc/55/20/66/587552066.db2.gz AZRQBNBIQNCZEM-UWVGGRQHSA-N 1 2 230.283 0.278 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ncccc21 ZINC000830612069 587560021 /nfs/dbraw/zinc/56/00/21/587560021.db2.gz XYPXBOYPHPCZKI-UHFFFAOYSA-N 1 2 228.255 0.937 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000830661942 587562629 /nfs/dbraw/zinc/56/26/29/587562629.db2.gz GYNQHNTWGSGOTD-GZMMTYOYSA-N 1 2 248.286 0.548 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000830661942 587562631 /nfs/dbraw/zinc/56/26/31/587562631.db2.gz GYNQHNTWGSGOTD-GZMMTYOYSA-N 1 2 248.286 0.548 20 0 BCADLO Cc1cc(CCNC(=O)c2c[nH+]c(C)[nH]2)nn1C ZINC000830649701 587562695 /nfs/dbraw/zinc/56/26/95/587562695.db2.gz NXGRGYMVGPMUGC-UHFFFAOYSA-N 1 2 247.302 0.733 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000830661945 587562835 /nfs/dbraw/zinc/56/28/35/587562835.db2.gz GYNQHNTWGSGOTD-LDYMZIIASA-N 1 2 248.286 0.548 20 0 BCADLO CC1=NO[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000830661945 587562836 /nfs/dbraw/zinc/56/28/36/587562836.db2.gz GYNQHNTWGSGOTD-LDYMZIIASA-N 1 2 248.286 0.548 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000830890850 587575103 /nfs/dbraw/zinc/57/51/03/587575103.db2.gz RLXRDACUDUYIFR-GHMZBOCLSA-N 1 2 249.314 0.837 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000830890853 587575369 /nfs/dbraw/zinc/57/53/69/587575369.db2.gz RLXRDACUDUYIFR-WDEREUQCSA-N 1 2 249.314 0.837 20 0 BCADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC(=O)C1 ZINC000830896744 587576333 /nfs/dbraw/zinc/57/63/33/587576333.db2.gz KWGVOOSJNUDNEE-SECBINFHSA-N 1 2 222.244 0.796 20 0 BCADLO O=C1N[C@@H]2C[N@H+](Cc3ncccn3)CC[C@H]2CO1 ZINC000830899839 587576613 /nfs/dbraw/zinc/57/66/13/587576613.db2.gz AQPPSAMMHUVKCV-VHSXEESVSA-N 1 2 248.286 0.407 20 0 BCADLO O=C1N[C@@H]2C[N@@H+](Cc3ncccn3)CC[C@H]2CO1 ZINC000830899839 587576614 /nfs/dbraw/zinc/57/66/14/587576614.db2.gz AQPPSAMMHUVKCV-VHSXEESVSA-N 1 2 248.286 0.407 20 0 BCADLO O=C1N[C@@H]2C[N@H+](Cc3ccon3)CC[C@H]2CO1 ZINC000830905779 587576807 /nfs/dbraw/zinc/57/68/07/587576807.db2.gz KYGWFBGARXVCQS-WCBMZHEXSA-N 1 2 237.259 0.605 20 0 BCADLO O=C1N[C@@H]2C[N@@H+](Cc3ccon3)CC[C@H]2CO1 ZINC000830905779 587576808 /nfs/dbraw/zinc/57/68/08/587576808.db2.gz KYGWFBGARXVCQS-WCBMZHEXSA-N 1 2 237.259 0.605 20 0 BCADLO CC(C)OC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000830945196 587578562 /nfs/dbraw/zinc/57/85/62/587578562.db2.gz XBRUHQJKLFZNBF-LLVKDONJSA-N 1 2 242.319 0.938 20 0 BCADLO CC[C@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831262857 587594498 /nfs/dbraw/zinc/59/44/98/587594498.db2.gz FWQULQGZUWLXDC-SNVBAGLBSA-N 1 2 211.265 0.229 20 0 BCADLO CC[C@@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831262856 587594534 /nfs/dbraw/zinc/59/45/34/587594534.db2.gz FWQULQGZUWLXDC-JTQLQIEISA-N 1 2 211.265 0.229 20 0 BCADLO C[C@@H](CO)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831306965 587597317 /nfs/dbraw/zinc/59/73/17/587597317.db2.gz SAEAUTOTCCXDQM-SECBINFHSA-N 1 2 225.292 0.477 20 0 BCADLO CCON(CC)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000831458623 587609811 /nfs/dbraw/zinc/60/98/11/587609811.db2.gz PFMYAIWJPXVHII-WAYWQWQTSA-N 1 2 242.319 0.675 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1OC2CCC1CC2 ZINC000831503342 587615060 /nfs/dbraw/zinc/61/50/60/587615060.db2.gz JHYLZQOJYVQADW-KTOWXAHTSA-N 1 2 237.259 0.528 20 0 BCADLO C[C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000831611956 587623324 /nfs/dbraw/zinc/62/33/24/587623324.db2.gz KGPWROASRIWXGB-UWVGGRQHSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(=O)N1 ZINC000831769716 587630934 /nfs/dbraw/zinc/63/09/34/587630934.db2.gz SWXDVFYDLPJWHP-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO C[C@H]1C[N@@H+](CCC(=O)C(C)(C)C)CC(=O)N1 ZINC000831769716 587630935 /nfs/dbraw/zinc/63/09/35/587630935.db2.gz SWXDVFYDLPJWHP-VIFPVBQESA-N 1 2 226.320 0.812 20 0 BCADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCO1 ZINC000831961480 587639207 /nfs/dbraw/zinc/63/92/07/587639207.db2.gz VKWRCMKZKKLJEZ-QMMMGPOBSA-N 1 2 221.260 0.679 20 0 BCADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCO1 ZINC000831961480 587639209 /nfs/dbraw/zinc/63/92/09/587639209.db2.gz VKWRCMKZKKLJEZ-QMMMGPOBSA-N 1 2 221.260 0.679 20 0 BCADLO C[C@H](O)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831997252 587642134 /nfs/dbraw/zinc/64/21/34/587642134.db2.gz XJGZOALVGNOUCJ-YUMQZZPRSA-N 1 2 211.265 0.228 20 0 BCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOCC(F)F ZINC000832187222 587649429 /nfs/dbraw/zinc/64/94/29/587649429.db2.gz UECIBAXGSZUTAF-RNFRBKRXSA-N 1 2 245.229 0.837 20 0 BCADLO CC(C)C[C@H](CO)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000832380726 587657104 /nfs/dbraw/zinc/65/71/04/587657104.db2.gz VRYVYHBALDMHAJ-SNVBAGLBSA-N 1 2 239.319 0.818 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000832521782 587664659 /nfs/dbraw/zinc/66/46/59/587664659.db2.gz GMDOENVKGDEHIA-YUMQZZPRSA-N 1 2 223.276 0.228 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC=CO1 ZINC000832644515 587672833 /nfs/dbraw/zinc/67/28/33/587672833.db2.gz CQFNIROSNVUBRO-SECBINFHSA-N 1 2 221.260 0.761 20 0 BCADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1O ZINC000832697333 587678371 /nfs/dbraw/zinc/67/83/71/587678371.db2.gz ZUEHBGZVVWADPE-VIFPVBQESA-N 1 2 237.303 0.572 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NCCOCC(F)F ZINC000832831624 587692808 /nfs/dbraw/zinc/69/28/08/587692808.db2.gz LMMHNZLLHAASMK-UHFFFAOYSA-N 1 2 233.218 0.350 20 0 BCADLO O=C([O-])N1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000834100522 587745358 /nfs/dbraw/zinc/74/53/58/587745358.db2.gz NMLNOAYEWRLOBH-LLVKDONJSA-N 1 2 241.335 0.814 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCCc2n[nH]cc21 ZINC000834681587 587764082 /nfs/dbraw/zinc/76/40/82/587764082.db2.gz CJHSUEJNJMHIRY-UHFFFAOYSA-N 1 2 231.259 0.655 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCSC1 ZINC000834736218 587765248 /nfs/dbraw/zinc/76/52/48/587765248.db2.gz IWSHEEGEZJPZKS-MRVPVSSYSA-N 1 2 225.317 0.822 20 0 BCADLO C[C@@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834779150 587767052 /nfs/dbraw/zinc/76/70/52/587767052.db2.gz VMVFSWYDVUNERM-GFCCVEGCSA-N 1 2 237.303 0.716 20 0 BCADLO CC(C)[C@H]1CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867231084 587874242 /nfs/dbraw/zinc/87/42/42/587874242.db2.gz ZICJXAKHHBXFTG-NXEZZACHSA-N 1 2 223.276 0.700 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CC1(F)F ZINC000837978025 587906753 /nfs/dbraw/zinc/90/67/53/587906753.db2.gz DLQFXSDINLIRSD-QMMMGPOBSA-N 1 2 235.230 0.517 20 0 BCADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CC1(F)F ZINC000837978024 587906979 /nfs/dbraw/zinc/90/69/79/587906979.db2.gz DLQFXSDINLIRSD-MRVPVSSYSA-N 1 2 235.230 0.517 20 0 BCADLO O[C@H](C[NH+]1CC(OC(F)F)C1)C1CC1 ZINC000840760091 587920197 /nfs/dbraw/zinc/92/01/97/587920197.db2.gz RAJKADICZUNCJT-MRVPVSSYSA-N 1 2 207.220 0.681 20 0 BCADLO CCn1ncc(CNc2cc[nH+]cc2F)n1 ZINC000840880658 587927617 /nfs/dbraw/zinc/92/76/17/587927617.db2.gz DJDYBNPCZKRXDF-UHFFFAOYSA-N 1 2 221.239 0.866 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC=CCC1 ZINC000867262906 587955652 /nfs/dbraw/zinc/95/56/52/587955652.db2.gz BWWFPRFGSNUPRW-SECBINFHSA-N 1 2 207.233 0.232 20 0 BCADLO COC[C@H]1CC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841685890 587972032 /nfs/dbraw/zinc/97/20/32/587972032.db2.gz XMEZUWBAFQBARG-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO COC[C@H]1CC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841685890 587972033 /nfs/dbraw/zinc/97/20/33/587972033.db2.gz XMEZUWBAFQBARG-MRVPVSSYSA-N 1 2 234.246 0.532 20 0 BCADLO C[C@H]1COCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841681811 587972318 /nfs/dbraw/zinc/97/23/18/587972318.db2.gz KBAOZFMTCOMUQC-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO C[C@H]1COCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841681811 587972316 /nfs/dbraw/zinc/97/23/16/587972316.db2.gz KBAOZFMTCOMUQC-SECBINFHSA-N 1 2 248.273 0.780 20 0 BCADLO CC(=O)NCC[N@@H+](C)CN1CC(C)(C)CC1=O ZINC000842636293 588047709 /nfs/dbraw/zinc/04/77/09/588047709.db2.gz WBZUNTXFLLTUDT-UHFFFAOYSA-N 1 2 241.335 0.270 20 0 BCADLO CC(=O)NCC[N@H+](C)CN1CC(C)(C)CC1=O ZINC000842636293 588047711 /nfs/dbraw/zinc/04/77/11/588047711.db2.gz WBZUNTXFLLTUDT-UHFFFAOYSA-N 1 2 241.335 0.270 20 0 BCADLO NC(COC[C@@H]1CCCO1)=[NH+]OCCCO ZINC000842655005 588049895 /nfs/dbraw/zinc/04/98/95/588049895.db2.gz AUDCVKRSHLOVDV-VIFPVBQESA-N 1 2 232.280 0.063 20 0 BCADLO COCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842656526 588050130 /nfs/dbraw/zinc/05/01/30/588050130.db2.gz NGYZCJUFYZFABY-SECBINFHSA-N 1 2 232.280 0.327 20 0 BCADLO NC(COC[C@@H]1CCCO1)=[NH+]O[C@H]1CCOC1 ZINC000842657763 588050374 /nfs/dbraw/zinc/05/03/74/588050374.db2.gz UQIAJSXFJHWSSB-UWVGGRQHSA-N 1 2 244.291 0.469 20 0 BCADLO C[C@@H](O)CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842663183 588050750 /nfs/dbraw/zinc/05/07/50/588050750.db2.gz XNLHHFXVXGKJEF-NXEZZACHSA-N 1 2 246.307 0.309 20 0 BCADLO COCC[N@H+](CCO)Cc1ncc(Cl)n1C ZINC000104957658 588071071 /nfs/dbraw/zinc/07/10/71/588071071.db2.gz OSKHATKGIZNQON-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO COCC[N@@H+](CCO)Cc1ncc(Cl)n1C ZINC000104957658 588071073 /nfs/dbraw/zinc/07/10/73/588071073.db2.gz OSKHATKGIZNQON-UHFFFAOYSA-N 1 2 247.726 0.514 20 0 BCADLO CCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842962795 588073443 /nfs/dbraw/zinc/07/34/43/588073443.db2.gz HQPPUTZYWVJNEJ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO CCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842962795 588073445 /nfs/dbraw/zinc/07/34/45/588073445.db2.gz HQPPUTZYWVJNEJ-MNOVXSKESA-N 1 2 245.319 0.675 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCCO1 ZINC000867317192 588076342 /nfs/dbraw/zinc/07/63/42/588076342.db2.gz KQJMKGFDZDRFMY-HNQUOIGGSA-N 1 2 226.276 0.039 20 0 BCADLO CC[NH2+]Cc1noc(CN(C)C(=O)OC)n1 ZINC000843145068 588086595 /nfs/dbraw/zinc/08/65/95/588086595.db2.gz BXBXJNQZLQLFBI-UHFFFAOYSA-N 1 2 228.252 0.377 20 0 BCADLO O=C(NCC[NH+]1CCOCC1)C1(C(F)F)CC1 ZINC000843750133 588137418 /nfs/dbraw/zinc/13/74/18/588137418.db2.gz IPSZJEYPIVLCAM-UHFFFAOYSA-N 1 2 248.273 0.480 20 0 BCADLO C[C@@H]1CN(C(=O)C2(F)CC2)CC[N@@H+]1CCO ZINC000843858923 588146181 /nfs/dbraw/zinc/14/61/81/588146181.db2.gz LUHXJGCBQDESGC-SECBINFHSA-N 1 2 230.283 0.014 20 0 BCADLO C[C@@H]1CN(C(=O)C2(F)CC2)CC[N@H+]1CCO ZINC000843858923 588146182 /nfs/dbraw/zinc/14/61/82/588146182.db2.gz LUHXJGCBQDESGC-SECBINFHSA-N 1 2 230.283 0.014 20 0 BCADLO C[C@H]1COCC[N@@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844275745 588179522 /nfs/dbraw/zinc/17/95/22/588179522.db2.gz GYKCYHPQFBCBJW-ONGXEEELSA-N 1 2 240.303 0.690 20 0 BCADLO C[C@H]1COCC[N@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844275745 588179523 /nfs/dbraw/zinc/17/95/23/588179523.db2.gz GYKCYHPQFBCBJW-ONGXEEELSA-N 1 2 240.303 0.690 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)N1 ZINC000844324104 588184951 /nfs/dbraw/zinc/18/49/51/588184951.db2.gz SKVDWWBQUBYGOW-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)N1 ZINC000844324104 588184952 /nfs/dbraw/zinc/18/49/52/588184952.db2.gz SKVDWWBQUBYGOW-YUMQZZPRSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)N1 ZINC000844323945 588184961 /nfs/dbraw/zinc/18/49/61/588184961.db2.gz SKVDWWBQUBYGOW-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)N1 ZINC000844323945 588184962 /nfs/dbraw/zinc/18/49/62/588184962.db2.gz SKVDWWBQUBYGOW-JGVFFNPUSA-N 1 2 234.246 0.231 20 0 BCADLO CC[C@@H]1C[N@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000844390137 588188706 /nfs/dbraw/zinc/18/87/06/588188706.db2.gz DECBDUKPPASRJM-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO CC[C@@H]1C[N@@H+](CC2OCCO2)[C@@H](C)CO1 ZINC000844390137 588188708 /nfs/dbraw/zinc/18/87/08/588188708.db2.gz DECBDUKPPASRJM-VHSXEESVSA-N 1 2 215.293 0.859 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)OCC(C)C ZINC000844392036 588189591 /nfs/dbraw/zinc/18/95/91/588189591.db2.gz FRVVKKQSTUWTMV-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)OCC(C)C ZINC000844392036 588189592 /nfs/dbraw/zinc/18/95/92/588189592.db2.gz FRVVKKQSTUWTMV-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448422 588194353 /nfs/dbraw/zinc/19/43/53/588194353.db2.gz FOYWMGQSPAZDGG-DTORHVGOSA-N 1 2 232.274 0.956 20 0 BCADLO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448422 588194355 /nfs/dbraw/zinc/19/43/55/588194355.db2.gz FOYWMGQSPAZDGG-DTORHVGOSA-N 1 2 232.274 0.956 20 0 BCADLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000844451234 588195594 /nfs/dbraw/zinc/19/55/94/588195594.db2.gz RWJGORASKFBITP-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000844451234 588195596 /nfs/dbraw/zinc/19/55/96/588195596.db2.gz RWJGORASKFBITP-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO Cc1nn(C[NH+]2CCC(C)CC2)c(=O)n1C ZINC000844679561 588213277 /nfs/dbraw/zinc/21/32/77/588213277.db2.gz QUIQAWINGFWYQH-UHFFFAOYSA-N 1 2 224.308 0.580 20 0 BCADLO CC[N@H+](CC(C)C)Cn1nc(C)n(C)c1=O ZINC000844685176 588213810 /nfs/dbraw/zinc/21/38/10/588213810.db2.gz RFTZGIUXUAFHJV-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO CC[N@@H+](CC(C)C)Cn1nc(C)n(C)c1=O ZINC000844685176 588213811 /nfs/dbraw/zinc/21/38/11/588213811.db2.gz RFTZGIUXUAFHJV-UHFFFAOYSA-N 1 2 226.324 0.826 20 0 BCADLO Cc1nn(C[N@@H+]2CC(C)=C[C@@H](C)C2)c(=O)n1C ZINC000844705131 588214079 /nfs/dbraw/zinc/21/40/79/588214079.db2.gz QMXUKIHIHYGGLV-SECBINFHSA-N 1 2 236.319 0.746 20 0 BCADLO Cc1nn(C[N@H+]2CC(C)=C[C@@H](C)C2)c(=O)n1C ZINC000844705131 588214081 /nfs/dbraw/zinc/21/40/81/588214081.db2.gz QMXUKIHIHYGGLV-SECBINFHSA-N 1 2 236.319 0.746 20 0 BCADLO Cc1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=O)n1C ZINC000844700282 588214086 /nfs/dbraw/zinc/21/40/86/588214086.db2.gz QLLMOZSYXALQCO-AOOOYVTPSA-N 1 2 236.319 0.436 20 0 BCADLO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=O)n1C ZINC000844700282 588214088 /nfs/dbraw/zinc/21/40/88/588214088.db2.gz QLLMOZSYXALQCO-AOOOYVTPSA-N 1 2 236.319 0.436 20 0 BCADLO CC[C@@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844698963 588214184 /nfs/dbraw/zinc/21/41/84/588214184.db2.gz XXIWJNMDYHWNQE-SNVBAGLBSA-N 1 2 224.308 0.580 20 0 BCADLO CC[C@@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844698963 588214185 /nfs/dbraw/zinc/21/41/85/588214185.db2.gz XXIWJNMDYHWNQE-SNVBAGLBSA-N 1 2 224.308 0.580 20 0 BCADLO Cc1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(=O)n1C ZINC000844696555 588214474 /nfs/dbraw/zinc/21/44/74/588214474.db2.gz IILNXTFNVWDEHF-VIFPVBQESA-N 1 2 238.335 0.968 20 0 BCADLO Cc1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c(=O)n1C ZINC000844696555 588214475 /nfs/dbraw/zinc/21/44/75/588214475.db2.gz IILNXTFNVWDEHF-VIFPVBQESA-N 1 2 238.335 0.968 20 0 BCADLO CC[C@@H]1C[N@H+](Cn2cnnc2)[C@@H](C)CO1 ZINC000844729755 588215358 /nfs/dbraw/zinc/21/53/58/588215358.db2.gz KXUCELOKUIMWOI-VHSXEESVSA-N 1 2 210.281 0.735 20 0 BCADLO CC[C@@H]1C[N@@H+](Cn2cnnc2)[C@@H](C)CO1 ZINC000844729755 588215359 /nfs/dbraw/zinc/21/53/59/588215359.db2.gz KXUCELOKUIMWOI-VHSXEESVSA-N 1 2 210.281 0.735 20 0 BCADLO COC/C(C)=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000845206882 588223601 /nfs/dbraw/zinc/22/36/01/588223601.db2.gz AWNLSQSKVDUIQK-SDKXAQGSSA-N 1 2 237.303 0.981 20 0 BCADLO C[C@H](CC(=O)OCCCO)n1cc[nH+]c1 ZINC000845276930 588225218 /nfs/dbraw/zinc/22/52/18/588225218.db2.gz FARUETDBHJUATH-SECBINFHSA-N 1 2 212.249 0.760 20 0 BCADLO CC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280630 588225403 /nfs/dbraw/zinc/22/54/03/588225403.db2.gz VKSCWGNDNRJTOJ-QMMMGPOBSA-N 1 2 210.233 0.966 20 0 BCADLO C[C@@H](CC(=O)OCc1cnn(C)n1)n1cc[nH+]c1 ZINC000845287562 588225940 /nfs/dbraw/zinc/22/59/40/588225940.db2.gz XIOVWIVVTOOPAL-VIFPVBQESA-N 1 2 249.274 0.706 20 0 BCADLO CCn1ccc(CC(=O)OCCn2cc[nH+]c2)n1 ZINC000845291944 588226047 /nfs/dbraw/zinc/22/60/47/588226047.db2.gz YJIHXZDJTISHBH-UHFFFAOYSA-N 1 2 248.286 0.885 20 0 BCADLO C[C@@H](CC(=O)OCCCC(N)=O)n1cc[nH+]c1 ZINC000845479004 588230080 /nfs/dbraw/zinc/23/00/80/588230080.db2.gz HDPJMNSLJVCTFK-VIFPVBQESA-N 1 2 239.275 0.643 20 0 BCADLO COC/C(C)=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000845520009 588231944 /nfs/dbraw/zinc/23/19/44/588231944.db2.gz DUAAVKNRJVRRJX-YHYXMXQVSA-N 1 2 235.287 0.859 20 0 BCADLO CCONC(=O)CNc1cc[nH+]cc1Cl ZINC000845713892 588242249 /nfs/dbraw/zinc/24/22/49/588242249.db2.gz PLMTYAPPZGONQP-UHFFFAOYSA-N 1 2 229.667 0.637 20 0 BCADLO COCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845717967 588242481 /nfs/dbraw/zinc/24/24/81/588242481.db2.gz IWALTVSOYCJYCX-VIFPVBQESA-N 1 2 227.264 0.528 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1cc(C)n(C)n1 ZINC000846066092 588255272 /nfs/dbraw/zinc/25/52/72/588255272.db2.gz ZPMGNMBSAOXBFQ-UHFFFAOYSA-N 1 2 240.307 0.228 20 0 BCADLO CCO[N-]C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000846090896 588255758 /nfs/dbraw/zinc/25/57/58/588255758.db2.gz MTVYGKDTHUZKOT-UHFFFAOYSA-N 1 2 241.335 0.271 20 0 BCADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000846089767 588256390 /nfs/dbraw/zinc/25/63/90/588256390.db2.gz VIPWTMWUNQBODP-DTWKUNHWSA-N 1 2 200.282 0.832 20 0 BCADLO CCONC(=O)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000846090691 588256453 /nfs/dbraw/zinc/25/64/53/588256453.db2.gz CWUSMQKPRHEDSQ-UWVGGRQHSA-N 1 2 230.308 0.459 20 0 BCADLO CC[C@H](CO)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244031 588262410 /nfs/dbraw/zinc/26/24/10/588262410.db2.gz DSUOHJBAACXWFU-MRVPVSSYSA-N 1 2 225.292 0.780 20 0 BCADLO CC(C)(NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000846244839 588262556 /nfs/dbraw/zinc/26/25/56/588262556.db2.gz NVYQGBXJUWJGMD-UHFFFAOYSA-N 1 2 231.259 0.865 20 0 BCADLO CCOC(C[N@H+](C)CC(=O)NC1CC1)OCC ZINC000106365437 588268960 /nfs/dbraw/zinc/26/89/60/588268960.db2.gz YRRIULHJRRRLJL-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO CCOC(C[N@@H+](C)CC(=O)NC1CC1)OCC ZINC000106365437 588268961 /nfs/dbraw/zinc/26/89/61/588268961.db2.gz YRRIULHJRRRLJL-UHFFFAOYSA-N 1 2 244.335 0.596 20 0 BCADLO C[C@@H](CC(=O)NN1CCCC1)n1cc[nH+]c1 ZINC000846655641 588281117 /nfs/dbraw/zinc/28/11/17/588281117.db2.gz QUMIUEVOLWRKEM-JTQLQIEISA-N 1 2 222.292 0.961 20 0 BCADLO CCN1C[C@H](C[N@@H+]2CCO[C@H](C)C2)OC1=O ZINC000846760723 588286364 /nfs/dbraw/zinc/28/63/64/588286364.db2.gz SHKFRAXZEJVLFH-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO CCN1C[C@H](C[N@H+]2CCO[C@H](C)C2)OC1=O ZINC000846760723 588286365 /nfs/dbraw/zinc/28/63/65/588286365.db2.gz SHKFRAXZEJVLFH-ZJUUUORDSA-N 1 2 228.292 0.548 20 0 BCADLO COC(=O)C[N@H+](C)Cc1ccc2nonc2c1 ZINC000846766437 588286620 /nfs/dbraw/zinc/28/66/20/588286620.db2.gz SAXITVUFGGZCCY-UHFFFAOYSA-N 1 2 235.243 0.828 20 0 BCADLO COC(=O)C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846766437 588286621 /nfs/dbraw/zinc/28/66/21/588286621.db2.gz SAXITVUFGGZCCY-UHFFFAOYSA-N 1 2 235.243 0.828 20 0 BCADLO C[N@H+](CC1(Br)CC1)[C@H]1CCNC1=O ZINC000846834741 588291770 /nfs/dbraw/zinc/29/17/70/588291770.db2.gz FOQIFYAXQPDWFL-ZETCQYMHSA-N 1 2 247.136 0.734 20 0 BCADLO C[N@@H+](CC1(Br)CC1)[C@H]1CCNC1=O ZINC000846834741 588291771 /nfs/dbraw/zinc/29/17/71/588291771.db2.gz FOQIFYAXQPDWFL-ZETCQYMHSA-N 1 2 247.136 0.734 20 0 BCADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnsn1 ZINC000846862114 588294059 /nfs/dbraw/zinc/29/40/59/588294059.db2.gz OJWOOQLKOOPANG-NXEZZACHSA-N 1 2 243.332 0.822 20 0 BCADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnsn1 ZINC000846891314 588295447 /nfs/dbraw/zinc/29/54/47/588295447.db2.gz WZVYYIAPKWITRU-HTRCEHHLSA-N 1 2 226.305 0.152 20 0 BCADLO NC(=O)C[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846899553 588296255 /nfs/dbraw/zinc/29/62/55/588296255.db2.gz LHSZAALSFDSUKP-ZETCQYMHSA-N 1 2 226.305 0.235 20 0 BCADLO NC(=O)C[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846899553 588296256 /nfs/dbraw/zinc/29/62/56/588296256.db2.gz LHSZAALSFDSUKP-ZETCQYMHSA-N 1 2 226.305 0.235 20 0 BCADLO OC[C@H]1[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]12 ZINC000846920121 588296751 /nfs/dbraw/zinc/29/67/51/588296751.db2.gz UIFHNPPLTPJFAT-BRPSZJMVSA-N 1 2 211.290 0.208 20 0 BCADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]12 ZINC000846920121 588296752 /nfs/dbraw/zinc/29/67/52/588296752.db2.gz UIFHNPPLTPJFAT-BRPSZJMVSA-N 1 2 211.290 0.208 20 0 BCADLO C[N@H+](Cc1cnsn1)C1(CO)CCC1 ZINC000846919827 588296882 /nfs/dbraw/zinc/29/68/82/588296882.db2.gz SAQLYJKZIVCTIL-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO C[N@@H+](Cc1cnsn1)C1(CO)CCC1 ZINC000846919827 588296883 /nfs/dbraw/zinc/29/68/83/588296883.db2.gz SAQLYJKZIVCTIL-UHFFFAOYSA-N 1 2 213.306 0.885 20 0 BCADLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846974881 588299545 /nfs/dbraw/zinc/29/95/45/588299545.db2.gz AQGYGTYYYFFUDN-LLVKDONJSA-N 1 2 243.351 0.470 20 0 BCADLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846978524 588299804 /nfs/dbraw/zinc/29/98/04/588299804.db2.gz UPGLJEPLKQINEX-NSHDSACASA-N 1 2 243.351 0.422 20 0 BCADLO COc1ccc(C(=O)NCc2c[nH+]cn2C)o1 ZINC000847051535 588304906 /nfs/dbraw/zinc/30/49/06/588304906.db2.gz ITNABTAJKHKCEU-UHFFFAOYSA-N 1 2 235.243 0.952 20 0 BCADLO CCn1nc(C)c(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000847104371 588306407 /nfs/dbraw/zinc/30/64/07/588306407.db2.gz IYWHBXHZWQAMDN-SECBINFHSA-N 1 2 238.335 0.952 20 0 BCADLO CCn1nc(C)c(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000847104371 588306408 /nfs/dbraw/zinc/30/64/08/588306408.db2.gz IYWHBXHZWQAMDN-SECBINFHSA-N 1 2 238.335 0.952 20 0 BCADLO COCCONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847548465 588316812 /nfs/dbraw/zinc/31/68/12/588316812.db2.gz PROBAISYBRBNIR-UHFFFAOYSA-N 1 2 249.270 0.951 20 0 BCADLO C[C@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C(=O)O1 ZINC000848073816 588354054 /nfs/dbraw/zinc/35/40/54/588354054.db2.gz IGIOPIAXMRGAEH-DTWKUNHWSA-N 1 2 240.303 0.148 20 0 BCADLO Cc1c[nH]nc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000848157725 588362146 /nfs/dbraw/zinc/36/21/46/588362146.db2.gz KLYCJFNIUGOXQO-QMMMGPOBSA-N 1 2 231.259 0.789 20 0 BCADLO COCOCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000848167259 588363511 /nfs/dbraw/zinc/36/35/11/588363511.db2.gz FSMSXDLZGYZENP-UHFFFAOYSA-N 1 2 241.291 0.469 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000848558788 588397276 /nfs/dbraw/zinc/39/72/76/588397276.db2.gz SLVJFJKXLDEPOL-IUCAKERBSA-N 1 2 232.349 0.928 20 0 BCADLO COc1c(C)[nH+]cnc1NCC[S@](C)=O ZINC000848665942 588404577 /nfs/dbraw/zinc/40/45/77/588404577.db2.gz QOHZKHTZBJGDLM-HNNXBMFYSA-N 1 2 229.305 0.584 20 0 BCADLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C(N)=O)ccn12 ZINC000848780652 588413683 /nfs/dbraw/zinc/41/36/83/588413683.db2.gz UACWIGIYCYKXST-MRVPVSSYSA-N 1 2 247.254 0.673 20 0 BCADLO CCONC(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849050323 588451673 /nfs/dbraw/zinc/45/16/73/588451673.db2.gz ZKSHHKFPGDGTPT-VIFPVBQESA-N 1 2 242.323 0.310 20 0 BCADLO c1c([C@H]2COCC[NH2+]2)nnn1-c1ccccc1 ZINC000849134782 588453619 /nfs/dbraw/zinc/45/36/19/588453619.db2.gz OXJZUOQCRZGUQS-GFCCVEGCSA-N 1 2 230.271 0.928 20 0 BCADLO CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000849282790 588469598 /nfs/dbraw/zinc/46/95/98/588469598.db2.gz WBOMFZTUAZUGMB-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000849282790 588469600 /nfs/dbraw/zinc/46/96/00/588469600.db2.gz WBOMFZTUAZUGMB-ZJUUUORDSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849282789 588469701 /nfs/dbraw/zinc/46/97/01/588469701.db2.gz WBOMFZTUAZUGMB-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849282789 588469703 /nfs/dbraw/zinc/46/97/03/588469703.db2.gz WBOMFZTUAZUGMB-VHSXEESVSA-N 1 2 245.392 0.580 20 0 BCADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000849321676 588471929 /nfs/dbraw/zinc/47/19/29/588471929.db2.gz JURZFTMPKRGMOL-DCAQKATOSA-N 1 2 245.319 0.579 20 0 BCADLO COC[C@H](COC(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC000849733097 588491094 /nfs/dbraw/zinc/49/10/94/588491094.db2.gz OOGYIDLLBNSKEX-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO COC[C@H](COC(=O)[C@H]1CCCC[N@H+]1C)OC ZINC000849733097 588491096 /nfs/dbraw/zinc/49/10/96/588491096.db2.gz OOGYIDLLBNSKEX-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC[C@@H](C)O)C1 ZINC000849735368 588491675 /nfs/dbraw/zinc/49/16/75/588491675.db2.gz TVUBMCJENLLWCV-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OCC[C@@H](C)O)C1 ZINC000849735368 588491676 /nfs/dbraw/zinc/49/16/76/588491676.db2.gz TVUBMCJENLLWCV-NXEZZACHSA-N 1 2 231.292 0.021 20 0 BCADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H](O)C(C)C)C1 ZINC000849734469 588491766 /nfs/dbraw/zinc/49/17/66/588491766.db2.gz IOZYNIAKUNJCQH-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H](O)C(C)C)C1 ZINC000849734469 588491768 /nfs/dbraw/zinc/49/17/68/588491768.db2.gz IOZYNIAKUNJCQH-WDEREUQCSA-N 1 2 245.319 0.267 20 0 BCADLO O[C@@H](C[NH2+]Cc1cc2n(n1)CCC2)C(F)(F)F ZINC000850072155 588518079 /nfs/dbraw/zinc/51/80/79/588518079.db2.gz MOFRBOCAQFZYIX-VIFPVBQESA-N 1 2 249.236 0.842 20 0 BCADLO COC[C@@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000850202347 588527761 /nfs/dbraw/zinc/52/77/61/588527761.db2.gz VXHAWXPQHSFTJG-SECBINFHSA-N 1 2 228.248 0.088 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000850340644 588537265 /nfs/dbraw/zinc/53/72/65/588537265.db2.gz XZSLVRAOSYVIHI-UHFFFAOYSA-N 1 2 226.280 0.218 20 0 BCADLO CCON(C)C(=O)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000850338005 588537340 /nfs/dbraw/zinc/53/73/40/588537340.db2.gz CNLYKBLILXSTJG-UHFFFAOYSA-N 1 2 240.307 0.526 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000850338005 588537342 /nfs/dbraw/zinc/53/73/42/588537342.db2.gz CNLYKBLILXSTJG-UHFFFAOYSA-N 1 2 240.307 0.526 20 0 BCADLO COCc1nnc(C[NH2+][C@H]2CC[C@H]2C)[nH]1 ZINC000850514855 588555992 /nfs/dbraw/zinc/55/59/92/588555992.db2.gz QQYQBRDKKMSGRT-SFYZADRCSA-N 1 2 210.281 0.839 20 0 BCADLO COC[C@@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000850998941 588582797 /nfs/dbraw/zinc/58/27/97/588582797.db2.gz WGERMOKEDAYMLJ-VHSXEESVSA-N 1 2 249.282 0.235 20 0 BCADLO COC[C@@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000850998941 588582799 /nfs/dbraw/zinc/58/27/99/588582799.db2.gz WGERMOKEDAYMLJ-VHSXEESVSA-N 1 2 249.282 0.235 20 0 BCADLO COC[C@@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000850998939 588582971 /nfs/dbraw/zinc/58/29/71/588582971.db2.gz WGERMOKEDAYMLJ-NXEZZACHSA-N 1 2 249.282 0.235 20 0 BCADLO COC[C@@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000850998939 588582972 /nfs/dbraw/zinc/58/29/72/588582972.db2.gz WGERMOKEDAYMLJ-NXEZZACHSA-N 1 2 249.282 0.235 20 0 BCADLO CCC[N@@H+](CC(=O)OCC)C[C@@H]1CCC(=O)O1 ZINC000851737617 588620953 /nfs/dbraw/zinc/62/09/53/588620953.db2.gz JPIPGLWKVBZAPK-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO CCC[N@H+](CC(=O)OCC)C[C@@H]1CCC(=O)O1 ZINC000851737617 588620954 /nfs/dbraw/zinc/62/09/54/588620954.db2.gz JPIPGLWKVBZAPK-JTQLQIEISA-N 1 2 243.303 0.967 20 0 BCADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851748961 588622822 /nfs/dbraw/zinc/62/28/22/588622822.db2.gz ZAFYFFJQRQMGGT-QMMMGPOBSA-N 1 2 225.248 0.455 20 0 BCADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851748961 588622823 /nfs/dbraw/zinc/62/28/23/588622823.db2.gz ZAFYFFJQRQMGGT-QMMMGPOBSA-N 1 2 225.248 0.455 20 0 BCADLO C[N@H+](CCOC(F)F)CCS(C)(=O)=O ZINC000851749772 588622886 /nfs/dbraw/zinc/62/28/86/588622886.db2.gz MBNTVFBVMISVEA-UHFFFAOYSA-N 1 2 231.264 0.202 20 0 BCADLO C[N@@H+](CCOC(F)F)CCS(C)(=O)=O ZINC000851749772 588622887 /nfs/dbraw/zinc/62/28/87/588622887.db2.gz MBNTVFBVMISVEA-UHFFFAOYSA-N 1 2 231.264 0.202 20 0 BCADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000851750104 588623063 /nfs/dbraw/zinc/62/30/63/588623063.db2.gz XHUTYMIBXGAMKO-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO CC[N@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000851750104 588623064 /nfs/dbraw/zinc/62/30/64/588623064.db2.gz XHUTYMIBXGAMKO-MRVPVSSYSA-N 1 2 215.249 0.187 20 0 BCADLO CO[C@@H]1CC[C@@H](N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000851750899 588623362 /nfs/dbraw/zinc/62/33/62/588623362.db2.gz LAZAZBLDBGKNNM-YNEHKIRRSA-N 1 2 242.363 0.552 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1COC(C)(C)O1 ZINC000851768292 588624914 /nfs/dbraw/zinc/62/49/14/588624914.db2.gz KVMNTVWOYPZVGQ-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1COC(C)(C)O1 ZINC000851768292 588624915 /nfs/dbraw/zinc/62/49/15/588624915.db2.gz KVMNTVWOYPZVGQ-SNVBAGLBSA-N 1 2 225.292 0.993 20 0 BCADLO CC1(C)OC[C@H](C[N@@H+]2CCNC(=O)C2(C)C)O1 ZINC000851772322 588625759 /nfs/dbraw/zinc/62/57/59/588625759.db2.gz DPFLACUQJKAADQ-VIFPVBQESA-N 1 2 242.319 0.348 20 0 BCADLO CC1(C)OC[C@H](C[N@H+]2CCNC(=O)C2(C)C)O1 ZINC000851772322 588625760 /nfs/dbraw/zinc/62/57/60/588625760.db2.gz DPFLACUQJKAADQ-VIFPVBQESA-N 1 2 242.319 0.348 20 0 BCADLO CC[C@H]1C(=O)NCC[N@H+]1CCOC(F)F ZINC000851778156 588626862 /nfs/dbraw/zinc/62/68/62/588626862.db2.gz DPRVRCRDDAXFKK-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOC(F)F ZINC000851778156 588626863 /nfs/dbraw/zinc/62/68/63/588626863.db2.gz DPRVRCRDDAXFKK-ZETCQYMHSA-N 1 2 222.235 0.436 20 0 BCADLO CN1CC[C@H]([N@H+](C)Cc2cccc(F)n2)C1=O ZINC000851779349 588627116 /nfs/dbraw/zinc/62/71/16/588627116.db2.gz SIIOROXYNRYOAA-JTQLQIEISA-N 1 2 237.278 0.883 20 0 BCADLO CN1CC[C@H]([N@@H+](C)Cc2cccc(F)n2)C1=O ZINC000851779349 588627117 /nfs/dbraw/zinc/62/71/17/588627117.db2.gz SIIOROXYNRYOAA-JTQLQIEISA-N 1 2 237.278 0.883 20 0 BCADLO OCCCC[N@H+](Cc1cnon1)C1CC1 ZINC000851781823 588627944 /nfs/dbraw/zinc/62/79/44/588627944.db2.gz FXUYTWKCJRHNMV-UHFFFAOYSA-N 1 2 211.265 0.807 20 0 BCADLO OCCCC[N@@H+](Cc1cnon1)C1CC1 ZINC000851781823 588627945 /nfs/dbraw/zinc/62/79/45/588627945.db2.gz FXUYTWKCJRHNMV-UHFFFAOYSA-N 1 2 211.265 0.807 20 0 BCADLO CCn1ncc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000851799602 588630487 /nfs/dbraw/zinc/63/04/87/588630487.db2.gz BWYLYUDFZCXVBO-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO CCn1ncc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000851799602 588630488 /nfs/dbraw/zinc/63/04/88/588630488.db2.gz BWYLYUDFZCXVBO-SNVBAGLBSA-N 1 2 210.281 0.519 20 0 BCADLO COC(=O)C[N@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851804030 588631099 /nfs/dbraw/zinc/63/10/99/588631099.db2.gz ZSRQVUMCWQXBRC-SNVBAGLBSA-N 1 2 243.303 0.775 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851804030 588631100 /nfs/dbraw/zinc/63/11/00/588631100.db2.gz ZSRQVUMCWQXBRC-SNVBAGLBSA-N 1 2 243.303 0.775 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cnon3)C2)[nH]1 ZINC000851810458 588631977 /nfs/dbraw/zinc/63/19/77/588631977.db2.gz FWYQAHNNOVISRV-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cnon3)C2)[nH]1 ZINC000851810458 588631978 /nfs/dbraw/zinc/63/19/78/588631978.db2.gz FWYQAHNNOVISRV-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000851810458 588631979 /nfs/dbraw/zinc/63/19/79/588631979.db2.gz FWYQAHNNOVISRV-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000851810458 588631980 /nfs/dbraw/zinc/63/19/80/588631980.db2.gz FWYQAHNNOVISRV-SECBINFHSA-N 1 2 248.290 0.876 20 0 BCADLO CCn1ncc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1 ZINC000851851798 588634917 /nfs/dbraw/zinc/63/49/17/588634917.db2.gz UFYBKUVIBYQOLF-SECBINFHSA-N 1 2 239.323 0.288 20 0 BCADLO O[C@H](C[N@@H+]1CCc2cn[nH]c2C1)c1ccccn1 ZINC000851862608 588636113 /nfs/dbraw/zinc/63/61/13/588636113.db2.gz CAHUMLJLDCTHJT-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@H](C[N@H+]1CCc2cn[nH]c2C1)c1ccccn1 ZINC000851862608 588636114 /nfs/dbraw/zinc/63/61/14/588636114.db2.gz CAHUMLJLDCTHJT-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@H](C[N@@H+]1CCc2c[nH]nc2C1)c1ccccn1 ZINC000851862608 588636115 /nfs/dbraw/zinc/63/61/15/588636115.db2.gz CAHUMLJLDCTHJT-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO O[C@H](C[N@H+]1CCc2c[nH]nc2C1)c1ccccn1 ZINC000851862608 588636116 /nfs/dbraw/zinc/63/61/16/588636116.db2.gz CAHUMLJLDCTHJT-CYBMUJFWSA-N 1 2 244.298 0.896 20 0 BCADLO COC[C@@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851887080 588640659 /nfs/dbraw/zinc/64/06/59/588640659.db2.gz XKUPUDDWILJDIG-LLVKDONJSA-N 1 2 249.307 0.163 20 0 BCADLO COCCCOCC[N@H+](C)Cc1cnon1 ZINC000851892532 588641252 /nfs/dbraw/zinc/64/12/52/588641252.db2.gz ORJRWNGJXYLAQJ-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO COCCCOCC[N@@H+](C)Cc1cnon1 ZINC000851892532 588641253 /nfs/dbraw/zinc/64/12/53/588641253.db2.gz ORJRWNGJXYLAQJ-UHFFFAOYSA-N 1 2 229.280 0.555 20 0 BCADLO C[C@@H]1CCOCC[N@@H+]1CCc1cnn[nH]1 ZINC000851908172 588642476 /nfs/dbraw/zinc/64/24/76/588642476.db2.gz ZJRFHXKKTVLNFE-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO C[C@@H]1CCOCC[N@H+]1CCc1cnn[nH]1 ZINC000851908172 588642477 /nfs/dbraw/zinc/64/24/77/588642477.db2.gz ZJRFHXKKTVLNFE-SECBINFHSA-N 1 2 210.281 0.458 20 0 BCADLO COC(CC[N@H+](C)Cc1noc(C)n1)OC ZINC000851909137 588642634 /nfs/dbraw/zinc/64/26/34/588642634.db2.gz YYAHJINLQMBEFM-UHFFFAOYSA-N 1 2 229.280 0.819 20 0 BCADLO COC(CC[N@@H+](C)Cc1noc(C)n1)OC ZINC000851909137 588642635 /nfs/dbraw/zinc/64/26/35/588642635.db2.gz YYAHJINLQMBEFM-UHFFFAOYSA-N 1 2 229.280 0.819 20 0 BCADLO C[C@H]([NH2+]Cc1cnon1)c1cnn(C)c1 ZINC000851930866 588644771 /nfs/dbraw/zinc/64/47/71/588644771.db2.gz FJIIFYRASOJBQN-ZETCQYMHSA-N 1 2 207.237 0.654 20 0 BCADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](COC)OC)C(=O)OC ZINC000851928822 588644812 /nfs/dbraw/zinc/64/48/12/588644812.db2.gz QSGXDRWQNYGAAQ-GARJFASQSA-N 1 2 247.335 0.825 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000851939864 588646331 /nfs/dbraw/zinc/64/63/31/588646331.db2.gz KAXUDYFDFJYPRB-RKDXNWHRSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000851939864 588646332 /nfs/dbraw/zinc/64/63/32/588646332.db2.gz KAXUDYFDFJYPRB-RKDXNWHRSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000851939862 588646360 /nfs/dbraw/zinc/64/63/60/588646360.db2.gz KAXUDYFDFJYPRB-IUCAKERBSA-N 1 2 239.262 0.697 20 0 BCADLO C[C@H](O)C[C@H]1COCC[N@H+]1CCOC(F)F ZINC000851939862 588646361 /nfs/dbraw/zinc/64/63/61/588646361.db2.gz KAXUDYFDFJYPRB-IUCAKERBSA-N 1 2 239.262 0.697 20 0 BCADLO c1ncn([C@@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC000851955029 588647427 /nfs/dbraw/zinc/64/74/27/588647427.db2.gz ZEMGGFSQLUJWQL-SECBINFHSA-N 1 2 220.236 0.108 20 0 BCADLO c1ncn([C@@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC000851955029 588647428 /nfs/dbraw/zinc/64/74/28/588647428.db2.gz ZEMGGFSQLUJWQL-SECBINFHSA-N 1 2 220.236 0.108 20 0 BCADLO Cn1c[nH+]c(CN2CCC[C@]23CCOC3=O)c1 ZINC000851956513 588647761 /nfs/dbraw/zinc/64/77/61/588647761.db2.gz GRBDOYPYCZLGMF-GFCCVEGCSA-N 1 2 235.287 0.702 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851958110 588647965 /nfs/dbraw/zinc/64/79/65/588647965.db2.gz XKPCMVHUJFYRAA-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851958110 588647966 /nfs/dbraw/zinc/64/79/66/588647966.db2.gz XKPCMVHUJFYRAA-CMPLNLGQSA-N 1 2 249.314 0.278 20 0 BCADLO COC(=O)[C@@H](NCc1cn(C)c[nH+]1)C1CC1 ZINC000851965948 588648500 /nfs/dbraw/zinc/64/85/00/588648500.db2.gz ASGKKDXHWBNIKF-JTQLQIEISA-N 1 2 223.276 0.461 20 0 BCADLO COC(=O)[C@H]([NH2+]CCC(OC)OC)C1CC1 ZINC000851967412 588648909 /nfs/dbraw/zinc/64/89/09/588648909.db2.gz YXRAATDFUKXUEA-SNVBAGLBSA-N 1 2 231.292 0.537 20 0 BCADLO COC[C@H]1C[N@H+](CCOC(F)F)C[C@H](C)O1 ZINC000851971155 588649393 /nfs/dbraw/zinc/64/93/93/588649393.db2.gz ONOKMSCIQSBCPW-DTWKUNHWSA-N 1 2 239.262 0.961 20 0 BCADLO COC[C@H]1C[N@@H+](CCOC(F)F)C[C@H](C)O1 ZINC000851971155 588649394 /nfs/dbraw/zinc/64/93/94/588649394.db2.gz ONOKMSCIQSBCPW-DTWKUNHWSA-N 1 2 239.262 0.961 20 0 BCADLO COC[C@@H]1C[N@H+](CCOC(F)F)C[C@@H](C)O1 ZINC000851971154 588649716 /nfs/dbraw/zinc/64/97/16/588649716.db2.gz ONOKMSCIQSBCPW-BDAKNGLRSA-N 1 2 239.262 0.961 20 0 BCADLO COC[C@@H]1C[N@@H+](CCOC(F)F)C[C@@H](C)O1 ZINC000851971154 588649717 /nfs/dbraw/zinc/64/97/17/588649717.db2.gz ONOKMSCIQSBCPW-BDAKNGLRSA-N 1 2 239.262 0.961 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973670 588650202 /nfs/dbraw/zinc/65/02/02/588650202.db2.gz HJQFJIHEVZSQTN-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO CO[C@@H]1CC[C@@H]([N@H+]2CCc3n[nH]nc3C2)C1 ZINC000851973670 588650203 /nfs/dbraw/zinc/65/02/03/588650203.db2.gz HJQFJIHEVZSQTN-RKDXNWHRSA-N 1 2 222.292 0.730 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000851975109 588650305 /nfs/dbraw/zinc/65/03/05/588650305.db2.gz NJJWVQQMERQVIS-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(F)F)C[C@@H](CO)O1 ZINC000851975109 588650306 /nfs/dbraw/zinc/65/03/06/588650306.db2.gz NJJWVQQMERQVIS-SFYZADRCSA-N 1 2 225.235 0.307 20 0 BCADLO OC[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1O ZINC000851978527 588650906 /nfs/dbraw/zinc/65/09/06/588650906.db2.gz NBAPAPWYPDTHIV-HTQZYQBOSA-N 1 2 240.130 0.981 20 0 BCADLO OC[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1O ZINC000851978527 588650907 /nfs/dbraw/zinc/65/09/07/588650907.db2.gz NBAPAPWYPDTHIV-HTQZYQBOSA-N 1 2 240.130 0.981 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cnon1 ZINC000851996608 588653613 /nfs/dbraw/zinc/65/36/13/588653613.db2.gz XNCYVKQZZRGWSC-JTQLQIEISA-N 1 2 240.307 0.222 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cnon1 ZINC000851996608 588653614 /nfs/dbraw/zinc/65/36/14/588653614.db2.gz XNCYVKQZZRGWSC-JTQLQIEISA-N 1 2 240.307 0.222 20 0 BCADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cnon1 ZINC000851996608 588653615 /nfs/dbraw/zinc/65/36/15/588653615.db2.gz XNCYVKQZZRGWSC-JTQLQIEISA-N 1 2 240.307 0.222 20 0 BCADLO CCN1OC[C@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000852001635 588653755 /nfs/dbraw/zinc/65/37/55/588653755.db2.gz LOECDENBPLBEPC-QMMMGPOBSA-N 1 2 234.246 0.880 20 0 BCADLO COC(=O)[C@@H](C)[N@H+](C)CCOC(F)F ZINC000852005719 588654243 /nfs/dbraw/zinc/65/42/43/588654243.db2.gz ZLIHLQGNMFHPGZ-ZCFIWIBFSA-N 1 2 211.208 0.719 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC(F)F ZINC000852005719 588654244 /nfs/dbraw/zinc/65/42/44/588654244.db2.gz ZLIHLQGNMFHPGZ-ZCFIWIBFSA-N 1 2 211.208 0.719 20 0 BCADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CC(=O)N1C ZINC000852012599 588655289 /nfs/dbraw/zinc/65/52/89/588655289.db2.gz CCRREBPAVNLDTO-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CC(=O)N1C ZINC000852012599 588655290 /nfs/dbraw/zinc/65/52/90/588655290.db2.gz CCRREBPAVNLDTO-JQWIXIFHSA-N 1 2 249.314 0.278 20 0 BCADLO CC1(C)OC[C@@H](C[N@@H+]2CC(=O)NCC2(C)C)O1 ZINC000852013699 588655530 /nfs/dbraw/zinc/65/55/30/588655530.db2.gz IOEHCQAMRGHBCK-SECBINFHSA-N 1 2 242.319 0.348 20 0 BCADLO CC1(C)OC[C@@H](C[N@H+]2CC(=O)NCC2(C)C)O1 ZINC000852013699 588655531 /nfs/dbraw/zinc/65/55/31/588655531.db2.gz IOEHCQAMRGHBCK-SECBINFHSA-N 1 2 242.319 0.348 20 0 BCADLO FC(F)O[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852017721 588655760 /nfs/dbraw/zinc/65/57/60/588655760.db2.gz DJCUIURXROQFPV-ZETCQYMHSA-N 1 2 219.191 0.883 20 0 BCADLO FC(F)O[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852017721 588655761 /nfs/dbraw/zinc/65/57/61/588655761.db2.gz DJCUIURXROQFPV-ZETCQYMHSA-N 1 2 219.191 0.883 20 0 BCADLO O=C1CC[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000852017371 588655915 /nfs/dbraw/zinc/65/59/15/588655915.db2.gz XLVDLCXVGWFXMJ-YUMQZZPRSA-N 1 2 235.230 0.658 20 0 BCADLO O=C1CC[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000852017371 588655916 /nfs/dbraw/zinc/65/59/16/588655916.db2.gz XLVDLCXVGWFXMJ-YUMQZZPRSA-N 1 2 235.230 0.658 20 0 BCADLO CCn1ncc(C[N@H+](C)C2(CO)CC2)n1 ZINC000852043677 588657391 /nfs/dbraw/zinc/65/73/91/588657391.db2.gz GXJQHXLNVIKCDC-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO CCn1ncc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000852043677 588657392 /nfs/dbraw/zinc/65/73/92/588657392.db2.gz GXJQHXLNVIKCDC-UHFFFAOYSA-N 1 2 210.281 0.255 20 0 BCADLO C[C@@]1([NH2+]CCO[C@@H]2CC2(F)F)CCOC1=O ZINC000852063075 588658459 /nfs/dbraw/zinc/65/84/59/588658459.db2.gz NINKSYUDDUUDGX-VXNVDRBHSA-N 1 2 235.230 0.706 20 0 BCADLO COC(CC[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000852139670 588666412 /nfs/dbraw/zinc/66/64/12/588666412.db2.gz BBEWDAZAEFKZKU-MRVPVSSYSA-N 1 2 241.278 0.943 20 0 BCADLO COC(CC[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000852139670 588666413 /nfs/dbraw/zinc/66/64/13/588666413.db2.gz BBEWDAZAEFKZKU-MRVPVSSYSA-N 1 2 241.278 0.943 20 0 BCADLO CON1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000852144882 588667155 /nfs/dbraw/zinc/66/71/55/588667155.db2.gz WOASUAXBSJXVDU-LBPRGKRZSA-N 1 2 237.303 0.294 20 0 BCADLO CC1(C)C[N@H+](Cc2cnon2)[C@@H]2COC[C@@H]21 ZINC000852148618 588667253 /nfs/dbraw/zinc/66/72/53/588667253.db2.gz BVNJAZFRTYIQQP-VHSXEESVSA-N 1 2 223.276 0.926 20 0 BCADLO CC1(C)C[N@@H+](Cc2cnon2)[C@@H]2COC[C@@H]21 ZINC000852148618 588667254 /nfs/dbraw/zinc/66/72/54/588667254.db2.gz BVNJAZFRTYIQQP-VHSXEESVSA-N 1 2 223.276 0.926 20 0 BCADLO CCN1CCC[N@H+](CCS(C)(=O)=O)[C@@H](C)C1 ZINC000852166908 588668994 /nfs/dbraw/zinc/66/89/94/588668994.db2.gz ZKMLDHKDWUPVGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO CCN1CCC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C1 ZINC000852166908 588668995 /nfs/dbraw/zinc/66/89/95/588668995.db2.gz ZKMLDHKDWUPVGW-NSHDSACASA-N 1 2 248.392 0.447 20 0 BCADLO C[C@H](O)[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000852178647 588670141 /nfs/dbraw/zinc/67/01/41/588670141.db2.gz YQMQLEMNFXFMSU-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO C[C@H](O)[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000852178647 588670142 /nfs/dbraw/zinc/67/01/42/588670142.db2.gz YQMQLEMNFXFMSU-YUMQZZPRSA-N 1 2 225.235 0.307 20 0 BCADLO CCC(=O)N1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852189789 588671139 /nfs/dbraw/zinc/67/11/39/588671139.db2.gz BNSAFQJFWHHQTR-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO CCC(=O)N1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852189789 588671140 /nfs/dbraw/zinc/67/11/40/588671140.db2.gz BNSAFQJFWHHQTR-SNVBAGLBSA-N 1 2 242.319 0.650 20 0 BCADLO Cc1noc(C[N@H+](C)C[C@H]2COC(C)(C)O2)n1 ZINC000852219434 588673850 /nfs/dbraw/zinc/67/38/50/588673850.db2.gz UEYIVTAJDLTMIX-VIFPVBQESA-N 1 2 241.291 0.961 20 0 BCADLO Cc1noc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)n1 ZINC000852219434 588673851 /nfs/dbraw/zinc/67/38/51/588673851.db2.gz UEYIVTAJDLTMIX-VIFPVBQESA-N 1 2 241.291 0.961 20 0 BCADLO C[C@H](NC(=O)NOCC(F)F)c1[nH+]ccn1C ZINC000852290478 588676374 /nfs/dbraw/zinc/67/63/74/588676374.db2.gz IZYZVKIIBHWKPI-LURJTMIESA-N 1 2 248.233 0.977 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)NCCOCCF ZINC000852343753 588678999 /nfs/dbraw/zinc/67/89/99/588678999.db2.gz GLFDNFNEPHYVFZ-UHFFFAOYSA-N 1 2 244.270 0.205 20 0 BCADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC(CF)CF ZINC000852363544 588680086 /nfs/dbraw/zinc/68/00/86/588680086.db2.gz MMFWULSNYCKWPN-UHFFFAOYSA-N 1 2 232.234 0.859 20 0 BCADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC(CF)CF ZINC000852363544 588680087 /nfs/dbraw/zinc/68/00/87/588680087.db2.gz MMFWULSNYCKWPN-UHFFFAOYSA-N 1 2 232.234 0.859 20 0 BCADLO CO[C@@]1(CO)CCC[N@H+](Cc2cnon2)C1 ZINC000852409704 588681516 /nfs/dbraw/zinc/68/15/16/588681516.db2.gz VJKOGGPBQISRQR-JTQLQIEISA-N 1 2 227.264 0.043 20 0 BCADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cnon2)C1 ZINC000852409704 588681517 /nfs/dbraw/zinc/68/15/17/588681517.db2.gz VJKOGGPBQISRQR-JTQLQIEISA-N 1 2 227.264 0.043 20 0 BCADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432988 588682283 /nfs/dbraw/zinc/68/22/83/588682283.db2.gz RQLKMQBUFYXABG-RKDXNWHRSA-N 1 2 242.275 0.074 20 0 BCADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432988 588682284 /nfs/dbraw/zinc/68/22/84/588682284.db2.gz RQLKMQBUFYXABG-RKDXNWHRSA-N 1 2 242.275 0.074 20 0 BCADLO COCC[N@H+](CCF)CCn1ccccc1=O ZINC000852481116 588684420 /nfs/dbraw/zinc/68/44/20/588684420.db2.gz IAAAWUSXBBRGKM-UHFFFAOYSA-N 1 2 242.294 0.766 20 0 BCADLO COCC[N@@H+](CCF)CCn1ccccc1=O ZINC000852481116 588684421 /nfs/dbraw/zinc/68/44/21/588684421.db2.gz IAAAWUSXBBRGKM-UHFFFAOYSA-N 1 2 242.294 0.766 20 0 BCADLO C[N@H+](CC1=CCCOC1)[C@@H]1CCOC1=O ZINC000852518843 588687956 /nfs/dbraw/zinc/68/79/56/588687956.db2.gz PZLHVDNPGANQHV-SNVBAGLBSA-N 1 2 211.261 0.580 20 0 BCADLO C[N@@H+](CC1=CCCOC1)[C@@H]1CCOC1=O ZINC000852518843 588687957 /nfs/dbraw/zinc/68/79/57/588687957.db2.gz PZLHVDNPGANQHV-SNVBAGLBSA-N 1 2 211.261 0.580 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537423 588689295 /nfs/dbraw/zinc/68/92/95/588689295.db2.gz ZPIFMFNPHPXSKN-WDEREUQCSA-N 1 2 247.360 0.268 20 0 BCADLO CCCS(=O)(=O)CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537423 588689296 /nfs/dbraw/zinc/68/92/96/588689296.db2.gz ZPIFMFNPHPXSKN-WDEREUQCSA-N 1 2 247.360 0.268 20 0 BCADLO Cn1cc(C[N@H+](C)C[C@@H]2COC(C)(C)O2)nn1 ZINC000852552647 588689752 /nfs/dbraw/zinc/68/97/52/588689752.db2.gz BYAKSZZCNBNLOO-SNVBAGLBSA-N 1 2 240.307 0.398 20 0 BCADLO Cn1cc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)nn1 ZINC000852552647 588689753 /nfs/dbraw/zinc/68/97/53/588689753.db2.gz BYAKSZZCNBNLOO-SNVBAGLBSA-N 1 2 240.307 0.398 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000852578234 588691663 /nfs/dbraw/zinc/69/16/63/588691663.db2.gz YFPBCZPZAKHEDK-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000852578234 588691664 /nfs/dbraw/zinc/69/16/64/588691664.db2.gz YFPBCZPZAKHEDK-UHFFFAOYSA-N 1 2 242.319 0.350 20 0 BCADLO O[C@H]1C[C@H]([NH2+]Cc2cnsn2)C12CCC2 ZINC000852581661 588692057 /nfs/dbraw/zinc/69/20/57/588692057.db2.gz MGUAPMVAXWGADM-IUCAKERBSA-N 1 2 225.317 0.931 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cnn(C)n2)C[C@H](C)O1 ZINC000852586221 588692356 /nfs/dbraw/zinc/69/23/56/588692356.db2.gz FDIUDEDXUDBONG-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@H](C)O1 ZINC000852586221 588692357 /nfs/dbraw/zinc/69/23/57/588692357.db2.gz FDIUDEDXUDBONG-ZJUUUORDSA-N 1 2 224.308 0.814 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCC(C)=O ZINC000852706723 588697191 /nfs/dbraw/zinc/69/71/91/588697191.db2.gz OJIGJSQSPLWIPX-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO CCOC(=O)C12CC(C1)C[N@H+]2CCC(C)=O ZINC000852706723 588697192 /nfs/dbraw/zinc/69/71/92/588697192.db2.gz OJIGJSQSPLWIPX-UHFFFAOYSA-N 1 2 225.288 0.993 20 0 BCADLO Cn1c[nH+]cc1COC(=O)COCC(F)F ZINC000860576500 589107302 /nfs/dbraw/zinc/10/73/02/589107302.db2.gz VFPDFDHFAZXMQO-UHFFFAOYSA-N 1 2 234.202 0.745 20 0 BCADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NN1CCCC1)CC2 ZINC000861522876 589167391 /nfs/dbraw/zinc/16/73/91/589167391.db2.gz IOEZHXBLPLNCGX-LLVKDONJSA-N 1 2 248.330 0.881 20 0 BCADLO Cc1[nH]ncc1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861557050 589168132 /nfs/dbraw/zinc/16/81/32/589168132.db2.gz UXMPLVNDKHXQEY-SSDOTTSWSA-N 1 2 225.296 0.207 20 0 BCADLO C[C@H]1SCC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC000118417452 589172350 /nfs/dbraw/zinc/17/23/50/589172350.db2.gz RRVVUDGLRKYWCT-RKDXNWHRSA-N 1 2 237.390 0.857 20 0 BCADLO C[C@H]1SCC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC000118417452 589172352 /nfs/dbraw/zinc/17/23/52/589172352.db2.gz RRVVUDGLRKYWCT-RKDXNWHRSA-N 1 2 237.390 0.857 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760422 589176962 /nfs/dbraw/zinc/17/69/62/589176962.db2.gz DYTQGCVAJPWIHC-JTQLQIEISA-N 1 2 237.303 0.701 20 0 BCADLO CC(C)(C)[C@@H](O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760422 589176963 /nfs/dbraw/zinc/17/69/63/589176963.db2.gz DYTQGCVAJPWIHC-JTQLQIEISA-N 1 2 237.303 0.701 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760423 589177165 /nfs/dbraw/zinc/17/71/65/589177165.db2.gz DYTQGCVAJPWIHC-SNVBAGLBSA-N 1 2 237.303 0.701 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760423 589177166 /nfs/dbraw/zinc/17/71/66/589177166.db2.gz DYTQGCVAJPWIHC-SNVBAGLBSA-N 1 2 237.303 0.701 20 0 BCADLO O=C(CC1(O)CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861763356 589177233 /nfs/dbraw/zinc/17/72/33/589177233.db2.gz PQJXCZJYEBZLLA-UHFFFAOYSA-N 1 2 235.287 0.600 20 0 BCADLO O=C(CC1(O)CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861763356 589177235 /nfs/dbraw/zinc/17/72/35/589177235.db2.gz PQJXCZJYEBZLLA-UHFFFAOYSA-N 1 2 235.287 0.600 20 0 BCADLO C=CC(=O)N(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000861799919 589178737 /nfs/dbraw/zinc/17/87/37/589178737.db2.gz NXLDIDZVGCOVIW-MRVPVSSYSA-N 1 2 236.275 0.231 20 0 BCADLO O=C(NC[C@@H]1COCO1)c1ccc2[nH+]ccn2c1 ZINC000861969670 589185877 /nfs/dbraw/zinc/18/58/77/589185877.db2.gz XSDOKMGFKDLMAV-SNVBAGLBSA-N 1 2 247.254 0.437 20 0 BCADLO Cc1ccnn1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000862153351 589193101 /nfs/dbraw/zinc/19/31/01/589193101.db2.gz VSPILLLJRZWZJN-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO Cc1ccnn1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000862153351 589193103 /nfs/dbraw/zinc/19/31/03/589193103.db2.gz VSPILLLJRZWZJN-UHFFFAOYSA-N 1 2 233.275 0.573 20 0 BCADLO Cc1c(C[N@@H+]2CCCNC(=O)C2)ccnc1F ZINC000862232792 589195716 /nfs/dbraw/zinc/19/57/16/589195716.db2.gz BIHZYFVCAVDYMC-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1c(C[N@H+]2CCCNC(=O)C2)ccnc1F ZINC000862232792 589195717 /nfs/dbraw/zinc/19/57/17/589195717.db2.gz BIHZYFVCAVDYMC-UHFFFAOYSA-N 1 2 237.278 0.851 20 0 BCADLO Cc1c[nH]c(CN2CCNC(=O)C2(C)C)[nH+]1 ZINC000862238930 589196107 /nfs/dbraw/zinc/19/61/07/589196107.db2.gz PGWSDLULAJGLEO-UHFFFAOYSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]c1C ZINC000862336724 589201278 /nfs/dbraw/zinc/20/12/78/589201278.db2.gz KXMZJVVALOLTSJ-CMPLNLGQSA-N 1 2 221.304 0.841 20 0 BCADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]c1C ZINC000862336724 589201280 /nfs/dbraw/zinc/20/12/80/589201280.db2.gz KXMZJVVALOLTSJ-CMPLNLGQSA-N 1 2 221.304 0.841 20 0 BCADLO Cc1[nH]c(CN2C[C@@H]3C[C@]3(CO)C2)[nH+]c1C ZINC000862336724 589201281 /nfs/dbraw/zinc/20/12/81/589201281.db2.gz KXMZJVVALOLTSJ-CMPLNLGQSA-N 1 2 221.304 0.841 20 0 BCADLO Cc1c[nH]c(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000862336371 589201364 /nfs/dbraw/zinc/20/13/64/589201364.db2.gz GCWDBZKVDGRHHN-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO Cc1c[nH]c(C[N@H+](C)CC2(CO)CC2)n1 ZINC000862336371 589201365 /nfs/dbraw/zinc/20/13/65/589201365.db2.gz GCWDBZKVDGRHHN-UHFFFAOYSA-N 1 2 209.293 0.922 20 0 BCADLO COC(=O)[C@@H](CF)NCc1[nH]c(C)c(C)[nH+]1 ZINC000862369113 589205074 /nfs/dbraw/zinc/20/50/74/589205074.db2.gz QCRGODNGKWSPGL-MRVPVSSYSA-N 1 2 229.255 0.627 20 0 BCADLO CCOC(=O)CC(C)(C)C[NH2+]Cc1c[nH]nn1 ZINC000862424040 589211964 /nfs/dbraw/zinc/21/19/64/589211964.db2.gz GBPNRNCJGTXJBJ-UHFFFAOYSA-N 1 2 240.307 0.874 20 0 BCADLO CCOC(=O)CC(C)(C)C[NH2+]Cc1cn[nH]n1 ZINC000862424040 589211965 /nfs/dbraw/zinc/21/19/65/589211965.db2.gz GBPNRNCJGTXJBJ-UHFFFAOYSA-N 1 2 240.307 0.874 20 0 BCADLO c1cc(C[NH+]2CCN(c3nccnn3)CC2)co1 ZINC000862437200 589212296 /nfs/dbraw/zinc/21/22/96/589212296.db2.gz OYUNBGGJOAJESC-UHFFFAOYSA-N 1 2 245.286 0.787 20 0 BCADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545265 589219206 /nfs/dbraw/zinc/21/92/06/589219206.db2.gz MYGSMCNGJOJMST-NXEZZACHSA-N 1 2 221.260 0.323 20 0 BCADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545265 589219207 /nfs/dbraw/zinc/21/92/07/589219207.db2.gz MYGSMCNGJOJMST-NXEZZACHSA-N 1 2 221.260 0.323 20 0 BCADLO COCc1nn(C[N@@H+]2CCC[C@H](C)C2)c(=O)o1 ZINC000119024948 589231690 /nfs/dbraw/zinc/23/16/90/589231690.db2.gz CVPRYXXHJYRSHA-VIFPVBQESA-N 1 2 241.291 0.672 20 0 BCADLO COCc1nn(C[N@H+]2CCC[C@H](C)C2)c(=O)o1 ZINC000119024948 589231691 /nfs/dbraw/zinc/23/16/91/589231691.db2.gz CVPRYXXHJYRSHA-VIFPVBQESA-N 1 2 241.291 0.672 20 0 BCADLO CS/C=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862970766 589249954 /nfs/dbraw/zinc/24/99/54/589249954.db2.gz MXXPMJAFWGAQPK-RWIWAZIYSA-N 1 2 230.333 0.310 20 0 BCADLO CS/C=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862970766 589249956 /nfs/dbraw/zinc/24/99/56/589249956.db2.gz MXXPMJAFWGAQPK-RWIWAZIYSA-N 1 2 230.333 0.310 20 0 BCADLO C[N@@H+]1CCOC[C@H]1CNC(=S)NC1CCC1 ZINC000863226690 589273220 /nfs/dbraw/zinc/27/32/20/589273220.db2.gz OVUJMDOBGTVUCU-SNVBAGLBSA-N 1 2 243.376 0.334 20 0 BCADLO C[N@H+]1CCOC[C@H]1CNC(=S)NC1CCC1 ZINC000863226690 589273222 /nfs/dbraw/zinc/27/32/22/589273222.db2.gz OVUJMDOBGTVUCU-SNVBAGLBSA-N 1 2 243.376 0.334 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000863283389 589275882 /nfs/dbraw/zinc/27/58/82/589275882.db2.gz MNMZVIKAFOWUOH-VHSXEESVSA-N 1 2 235.287 0.636 20 0 BCADLO S=C1OCCN1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304987 589277670 /nfs/dbraw/zinc/27/76/70/589277670.db2.gz GFZHWTMDOXEOLG-VHSXEESVSA-N 1 2 242.344 0.814 20 0 BCADLO S=C1OCCN1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304987 589277672 /nfs/dbraw/zinc/27/76/72/589277672.db2.gz GFZHWTMDOXEOLG-VHSXEESVSA-N 1 2 242.344 0.814 20 0 BCADLO CCn1ncc(COCc2[nH]cc[nH+]2)n1 ZINC000863315047 589278992 /nfs/dbraw/zinc/27/89/92/589278992.db2.gz JIQMCMBVIFFDDB-UHFFFAOYSA-N 1 2 207.237 0.738 20 0 BCADLO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)C(=O)OC ZINC000863381853 589285612 /nfs/dbraw/zinc/28/56/12/589285612.db2.gz SCSMSHLVICVUPY-NXEZZACHSA-N 1 2 241.287 0.789 20 0 BCADLO CO[C@@H](C)C(N)=[NH+]OCC(=O)NCC(C)(C)C ZINC000863458794 589289873 /nfs/dbraw/zinc/28/98/73/589289873.db2.gz FZDJIGYNUCEZNI-QMMMGPOBSA-N 1 2 245.323 0.682 20 0 BCADLO NC(CCO)=[NH+]OCc1ccnc(F)c1 ZINC000863467794 589290681 /nfs/dbraw/zinc/29/06/81/589290681.db2.gz LFKUUBWNACWEKG-UHFFFAOYSA-N 1 2 213.212 0.602 20 0 BCADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)CS1(=O)=O ZINC000864049861 589334758 /nfs/dbraw/zinc/33/47/58/589334758.db2.gz MYBJQSJQCMZOLK-BDAKNGLRSA-N 1 2 243.332 0.465 20 0 BCADLO Cc1c[nH]c(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1 ZINC000864052180 589334958 /nfs/dbraw/zinc/33/49/58/589334958.db2.gz CWPIPGDONKPFHY-SECBINFHSA-N 1 2 222.292 0.332 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000864062292 589336912 /nfs/dbraw/zinc/33/69/12/589336912.db2.gz OMROTLIYEIGORE-GXFFZTMASA-N 1 2 249.314 0.573 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CO ZINC000864062389 589337017 /nfs/dbraw/zinc/33/70/17/589337017.db2.gz HHVXESOYSGIJPB-VHSXEESVSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000864082455 589341409 /nfs/dbraw/zinc/34/14/09/589341409.db2.gz OGNSRHCIXOONKN-UOKLYIGXSA-N 1 2 237.303 0.880 20 0 BCADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000864082455 589341410 /nfs/dbraw/zinc/34/14/10/589341410.db2.gz OGNSRHCIXOONKN-UOKLYIGXSA-N 1 2 237.303 0.880 20 0 BCADLO CC(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864372935 589356432 /nfs/dbraw/zinc/35/64/32/589356432.db2.gz JHFFSISOBHISTH-ONEGZZNKSA-N 1 2 212.293 0.399 20 0 BCADLO CC(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864372934 589356442 /nfs/dbraw/zinc/35/64/42/589356442.db2.gz JHFFSISOBHISTH-ARJAWSKDSA-N 1 2 212.293 0.399 20 0 BCADLO Cc1cc(F)ncc1C(=O)N1CC[NH+](C)CC1 ZINC000864381794 589356724 /nfs/dbraw/zinc/35/67/24/589356724.db2.gz JAEMFFUQNDJTKE-UHFFFAOYSA-N 1 2 237.278 0.917 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CCN(C(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000864756718 589392550 /nfs/dbraw/zinc/39/25/50/589392550.db2.gz ORJSVUVLYAAUJA-ONEGZZNKSA-N 1 2 238.331 0.886 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[NH+](CCO)CC1 ZINC000864815022 589395862 /nfs/dbraw/zinc/39/58/62/589395862.db2.gz RZGAYQAXUJGZBN-XCVCLJGOSA-N 1 2 230.283 0.386 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCSCC1 ZINC000864903987 589400444 /nfs/dbraw/zinc/40/04/44/589400444.db2.gz QZCJPDRHWYEFPC-MRVPVSSYSA-N 1 2 227.289 0.019 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCSCC1 ZINC000864903988 589400673 /nfs/dbraw/zinc/40/06/73/589400673.db2.gz QZCJPDRHWYEFPC-QMMMGPOBSA-N 1 2 227.289 0.019 20 0 BCADLO CN(CC(F)(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864987296 589403252 /nfs/dbraw/zinc/40/32/52/589403252.db2.gz LQZLVLNOCVALGR-LURJTMIESA-N 1 2 237.181 0.464 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cc[nH]n1 ZINC000865041168 589406111 /nfs/dbraw/zinc/40/61/11/589406111.db2.gz MYHVKQLJFQAMCJ-OWOJBTEDSA-N 1 2 236.275 0.237 20 0 BCADLO 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/nfs/dbraw/zinc/51/21/81/589512181.db2.gz ATMFJJBGNDVMAU-LLVKDONJSA-N 1 2 247.298 0.352 20 0 BCADLO Nc1ccc2c(c1)OCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000866688856 589512183 /nfs/dbraw/zinc/51/21/83/589512183.db2.gz ATMFJJBGNDVMAU-LLVKDONJSA-N 1 2 247.298 0.352 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000867549546 589525051 /nfs/dbraw/zinc/52/50/51/589525051.db2.gz PLUKHYJCBKTSKZ-BJIOATRMSA-N 1 2 244.310 0.775 20 0 BCADLO CC/C=C(\F)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000867549546 589525052 /nfs/dbraw/zinc/52/50/52/589525052.db2.gz PLUKHYJCBKTSKZ-BJIOATRMSA-N 1 2 244.310 0.775 20 0 BCADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868261289 589552926 /nfs/dbraw/zinc/55/29/26/589552926.db2.gz PYAPXEHPUGOPDX-KHQFGBGNSA-N 1 2 239.275 0.079 20 0 BCADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000868259364 589552956 /nfs/dbraw/zinc/55/29/56/589552956.db2.gz AYTFDOHKZKYQTA-WCBMZHEXSA-N 1 2 239.275 0.081 20 0 BCADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@H](C)O1 ZINC000122123626 589556355 /nfs/dbraw/zinc/55/63/55/589556355.db2.gz VKWVHUGHFBGOJB-DTORHVGOSA-N 1 2 201.266 0.469 20 0 BCADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@H](C)O1 ZINC000122123626 589556357 /nfs/dbraw/zinc/55/63/57/589556357.db2.gz VKWVHUGHFBGOJB-DTORHVGOSA-N 1 2 201.266 0.469 20 0 BCADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000868485786 589560886 /nfs/dbraw/zinc/56/08/86/589560886.db2.gz DFRQISKHDHEZCV-WPRPVWTQSA-N 1 2 239.275 0.081 20 0 BCADLO C=C=CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868497104 589561047 /nfs/dbraw/zinc/56/10/47/589561047.db2.gz QBXDSFSSCCCLKF-SNAWJCMRSA-N 1 2 222.288 0.332 20 0 BCADLO CC[C@H]1CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868539042 589563014 /nfs/dbraw/zinc/56/30/14/589563014.db2.gz MZCUXMJBCRHVPQ-MVZIDQBPSA-N 1 2 238.331 0.886 20 0 BCADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOCC(F)F ZINC000868563574 589564432 /nfs/dbraw/zinc/56/44/32/589564432.db2.gz XWHKDFNEMCQDJB-UHFFFAOYSA-N 1 2 234.206 0.748 20 0 BCADLO CC(F)(F)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868571499 589564841 /nfs/dbraw/zinc/56/48/41/589564841.db2.gz BXLMULKUWZTGBI-IHWYPQMZSA-N 1 2 248.273 0.646 20 0 BCADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1CSC1 ZINC000868621046 589568229 /nfs/dbraw/zinc/56/82/29/589568229.db2.gz OROYZHKQDVUACP-MRVPVSSYSA-N 1 2 223.301 0.807 20 0 BCADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H]1C1CC1 ZINC000868651914 589570517 /nfs/dbraw/zinc/57/05/17/589570517.db2.gz WOXIEVHOGDLPMX-VHSXEESVSA-N 1 2 221.260 0.454 20 0 BCADLO COC/C=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000868839042 589579095 /nfs/dbraw/zinc/57/90/95/589579095.db2.gz WOQSYDJVBPLIIK-ARJAWSKDSA-N 1 2 223.276 0.281 20 0 BCADLO COCCCCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868901287 589581885 /nfs/dbraw/zinc/58/18/85/589581885.db2.gz ORSQRWIXBLMIMZ-SNVBAGLBSA-N 1 2 241.291 0.328 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C=CCC1 ZINC000869243257 589593881 /nfs/dbraw/zinc/59/38/81/589593881.db2.gz PPKIQLYSASPQBA-MJRJWQSSSA-N 1 2 236.315 0.710 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C=CCC1 ZINC000869243259 589593906 /nfs/dbraw/zinc/59/39/06/589593906.db2.gz PPKIQLYSASPQBA-RYBZSIHZSA-N 1 2 236.315 0.710 20 0 BCADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC(CC2CC2)C1 ZINC000869358126 589600573 /nfs/dbraw/zinc/60/05/73/589600573.db2.gz SALPPYSSZNTULY-NSHDSACASA-N 1 2 235.287 0.702 20 0 BCADLO CC[C@H](NC(C)=O)C(=O)OCCn1cc[nH+]c1 ZINC000869677077 589621371 /nfs/dbraw/zinc/62/13/71/589621371.db2.gz JLXJPYMRQZFYRS-JTQLQIEISA-N 1 2 239.275 0.341 20 0 BCADLO CCCNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123130370 589665323 /nfs/dbraw/zinc/66/53/23/589665323.db2.gz ULUBVVALYUJQAI-SNVBAGLBSA-N 1 2 244.408 0.106 20 0 BCADLO CCCNC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123130370 589665324 /nfs/dbraw/zinc/66/53/24/589665324.db2.gz ULUBVVALYUJQAI-SNVBAGLBSA-N 1 2 244.408 0.106 20 0 BCADLO CO[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000870716737 589686099 /nfs/dbraw/zinc/68/60/99/589686099.db2.gz QOYQACAYYKUODE-GHMZBOCLSA-N 1 2 237.303 0.909 20 0 BCADLO CO[C@@H]1CC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000870716740 589686102 /nfs/dbraw/zinc/68/61/02/589686102.db2.gz QOYQACAYYKUODE-WDEREUQCSA-N 1 2 237.303 0.909 20 0 BCADLO CO[C@H]1CC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000870730124 589687862 /nfs/dbraw/zinc/68/78/62/589687862.db2.gz ZMLOZGUHBMPJSU-UWVGGRQHSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(NC1COC1)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000870870979 589692899 /nfs/dbraw/zinc/69/28/99/589692899.db2.gz SBKUBNZRVZRXON-QMMMGPOBSA-N 1 2 248.273 0.479 20 0 BCADLO O=C(NC1COC1)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000870870979 589692900 /nfs/dbraw/zinc/69/29/00/589692900.db2.gz SBKUBNZRVZRXON-QMMMGPOBSA-N 1 2 248.273 0.479 20 0 BCADLO CCN(C)C(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871778622 589814129 /nfs/dbraw/zinc/81/41/29/589814129.db2.gz QLEPDNCYNLABGV-UHFFFAOYSA-N 1 2 243.307 0.532 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000871778673 589814828 /nfs/dbraw/zinc/81/48/28/589814828.db2.gz RXZJUGTZHFDBCE-MRVPVSSYSA-N 1 2 243.263 0.162 20 0 BCADLO NC(COC1CCC1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000871778674 589815048 /nfs/dbraw/zinc/81/50/48/589815048.db2.gz RXZJUGTZHFDBCE-QMMMGPOBSA-N 1 2 243.263 0.162 20 0 BCADLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)O)n1 ZINC000872200212 589890171 /nfs/dbraw/zinc/89/01/71/589890171.db2.gz XCRYTMPVPIPGRX-VXNVDRBHSA-N 1 2 243.307 0.551 20 0 BCADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCNC1=O ZINC000888596603 589894020 /nfs/dbraw/zinc/89/40/20/589894020.db2.gz BWEIFBPQEVCCKX-QMMMGPOBSA-N 1 2 249.270 0.555 20 0 BCADLO CO[C@H](C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872301615 589907858 /nfs/dbraw/zinc/90/78/58/589907858.db2.gz KOHLRCJZRDYSAI-SNVBAGLBSA-N 1 2 249.314 0.895 20 0 BCADLO CC(=O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872319152 589911264 /nfs/dbraw/zinc/91/12/64/589911264.db2.gz HUDLTCVQNOINFB-UHFFFAOYSA-N 1 2 219.288 0.922 20 0 BCADLO CC(=O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319152 589911265 /nfs/dbraw/zinc/91/12/65/589911265.db2.gz HUDLTCVQNOINFB-UHFFFAOYSA-N 1 2 219.288 0.922 20 0 BCADLO CN1CCCC[C@@H]([N@H+](C)CN2CCC2=O)C1=O ZINC000872675118 589960604 /nfs/dbraw/zinc/96/06/04/589960604.db2.gz AOHHSOUXXIOZMB-SNVBAGLBSA-N 1 2 239.319 0.119 20 0 BCADLO CN1CCCC[C@@H]([N@@H+](C)CN2CCC2=O)C1=O ZINC000872675118 589960607 /nfs/dbraw/zinc/96/06/07/589960607.db2.gz AOHHSOUXXIOZMB-SNVBAGLBSA-N 1 2 239.319 0.119 20 0 BCADLO CCONC(=O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000873134237 589986366 /nfs/dbraw/zinc/98/63/66/589986366.db2.gz YYAKFBOQSVZIOK-VIFPVBQESA-N 1 2 230.308 0.601 20 0 BCADLO CC[C@H]1COCCN1CC[NH2+]Cc1ccn[nH]1 ZINC000873188606 589991085 /nfs/dbraw/zinc/99/10/85/589991085.db2.gz IJQCWLIIEKXSKY-LBPRGKRZSA-N 1 2 238.335 0.610 20 0 BCADLO Nc1cnc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000873210473 589995065 /nfs/dbraw/zinc/99/50/65/589995065.db2.gz HNISATBMHGORNH-LBPRGKRZSA-N 1 2 248.286 0.340 20 0 BCADLO Nc1cnc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000873210473 589995067 /nfs/dbraw/zinc/99/50/67/589995067.db2.gz HNISATBMHGORNH-LBPRGKRZSA-N 1 2 248.286 0.340 20 0 BCADLO C[C@@H](C(=O)O[C@@H]1CCOC1)[NH+]1CCSCC1 ZINC000124587789 590060140 /nfs/dbraw/zinc/06/01/40/590060140.db2.gz VTWFZXRQUKOVTN-VHSXEESVSA-N 1 2 245.344 0.756 20 0 BCADLO C[NH+]1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC000873721438 590068636 /nfs/dbraw/zinc/06/86/36/590068636.db2.gz UIBUFQAOJPUDQU-UHFFFAOYSA-N 1 2 229.667 0.716 20 0 BCADLO CCONC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000873911566 590078678 /nfs/dbraw/zinc/07/86/78/590078678.db2.gz BPYKRUPJJFEAQN-UHFFFAOYSA-N 1 2 230.308 0.413 20 0 BCADLO CCC[C@H](CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000873979576 590082310 /nfs/dbraw/zinc/08/23/10/590082310.db2.gz VOIDIMMPPVLNJP-LBPRGKRZSA-N 1 2 242.363 0.949 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000874110529 590092396 /nfs/dbraw/zinc/09/23/96/590092396.db2.gz ZKODFBKYMPPZGU-QMMMGPOBSA-N 1 2 224.264 0.801 20 0 BCADLO Cc1noc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000874110529 590092398 /nfs/dbraw/zinc/09/23/98/590092398.db2.gz ZKODFBKYMPPZGU-QMMMGPOBSA-N 1 2 224.264 0.801 20 0 BCADLO C[C@H](O)c1ccc(N(C)CC(N)=O)[nH+]c1 ZINC000124913473 590098695 /nfs/dbraw/zinc/09/86/95/590098695.db2.gz ZIZHHFSKWIUKOM-ZETCQYMHSA-N 1 2 209.249 0.056 20 0 BCADLO Cc1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cc1 ZINC000020789965 590159683 /nfs/dbraw/zinc/15/96/83/590159683.db2.gz IUYMYABRIOMGTD-VIFPVBQESA-N 1 2 204.229 0.586 20 0 BCADLO COC(=O)[C@@](C)([NH2+]CCC1OCCO1)C1CC1 ZINC000125304668 590160828 /nfs/dbraw/zinc/16/08/28/590160828.db2.gz AXXOZEIGLVHEEJ-LBPRGKRZSA-N 1 2 243.303 0.681 20 0 BCADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC(=O)O1 ZINC000875367184 590163264 /nfs/dbraw/zinc/16/32/64/590163264.db2.gz QYOVSHSZTKTRIZ-MRVPVSSYSA-N 1 2 245.238 0.978 20 0 BCADLO CC(C)CONC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875410057 590163482 /nfs/dbraw/zinc/16/34/82/590163482.db2.gz JMTRXOJZVBSHMH-VIFPVBQESA-N 1 2 238.291 0.695 20 0 BCADLO CCON(CC)C(=O)NCc1c[nH+]cn1C ZINC000875591058 590166095 /nfs/dbraw/zinc/16/60/95/590166095.db2.gz AYYGMYHIBSHZHY-UHFFFAOYSA-N 1 2 226.280 0.903 20 0 BCADLO CCON(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864029 590174331 /nfs/dbraw/zinc/17/43/31/590174331.db2.gz NGHBWEICKGXRID-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CCON(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864029 590174333 /nfs/dbraw/zinc/17/43/33/590174333.db2.gz NGHBWEICKGXRID-JTQLQIEISA-N 1 2 245.323 0.300 20 0 BCADLO CC[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H](C)O ZINC000876305430 590194534 /nfs/dbraw/zinc/19/45/34/590194534.db2.gz IGSYJIHPRKHCOH-WCBMZHEXSA-N 1 2 240.307 0.379 20 0 BCADLO CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000877432100 590325775 /nfs/dbraw/zinc/32/57/75/590325775.db2.gz AQOXQCBEDJGMMU-ZYHUDNBSSA-N 1 2 238.335 0.891 20 0 BCADLO CCCn1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000877432100 590325778 /nfs/dbraw/zinc/32/57/78/590325778.db2.gz AQOXQCBEDJGMMU-ZYHUDNBSSA-N 1 2 238.335 0.891 20 0 BCADLO Cn1ncnc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000877563756 590360008 /nfs/dbraw/zinc/36/00/08/590360008.db2.gz PFRVWOJJUKCEOC-VIFPVBQESA-N 1 2 232.234 0.017 20 0 BCADLO Cn1ncnc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000877563756 590360011 /nfs/dbraw/zinc/36/00/11/590360011.db2.gz PFRVWOJJUKCEOC-VIFPVBQESA-N 1 2 232.234 0.017 20 0 BCADLO CN1CC2(C[NH+](CCC[C@H]3CCO3)C2)OC1=O ZINC000877595666 590370164 /nfs/dbraw/zinc/37/01/64/590370164.db2.gz GXZZUAMDAUIFOM-JTQLQIEISA-N 1 2 240.303 0.692 20 0 BCADLO CCON(C)C(=O)C[NH2+]Cc1ncc(C)o1 ZINC000877611970 590372378 /nfs/dbraw/zinc/37/23/78/590372378.db2.gz IOYJUWLRFDXWMY-UHFFFAOYSA-N 1 2 227.264 0.483 20 0 BCADLO CCONC(=O)C[NH2+][C@H](CC)C1CC1 ZINC000877613485 590373480 /nfs/dbraw/zinc/37/34/80/590373480.db2.gz KCYKNAIYYPYJKS-SECBINFHSA-N 1 2 200.282 0.832 20 0 BCADLO CCn1nc(C)c(C[NH2+]C2(C)COC2)n1 ZINC000877691696 590392893 /nfs/dbraw/zinc/39/28/93/590392893.db2.gz SQSZPUBDAVAEFV-UHFFFAOYSA-N 1 2 210.281 0.485 20 0 BCADLO Cn1ncc(C[NH2+]C2(C)COC2)c1Cl ZINC000877690858 590393130 /nfs/dbraw/zinc/39/31/30/590393130.db2.gz FOSLSJAQUHAUBO-UHFFFAOYSA-N 1 2 215.684 0.952 20 0 BCADLO CCOC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877753119 590416588 /nfs/dbraw/zinc/41/65/88/590416588.db2.gz WDYNWOSMSWZKAW-VIFPVBQESA-N 1 2 215.293 0.642 20 0 BCADLO CCOC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877753119 590416590 /nfs/dbraw/zinc/41/65/90/590416590.db2.gz WDYNWOSMSWZKAW-VIFPVBQESA-N 1 2 215.293 0.642 20 0 BCADLO Cn1ncc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000877751282 590416241 /nfs/dbraw/zinc/41/62/41/590416241.db2.gz AOEOLXAWMMOHMX-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO Cn1ncc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000877751282 590416243 /nfs/dbraw/zinc/41/62/43/590416243.db2.gz AOEOLXAWMMOHMX-JTQLQIEISA-N 1 2 224.308 0.408 20 0 BCADLO COC(=O)C1(O)C[NH+](CC2(C(C)C)CC2)C1 ZINC000877769986 590421161 /nfs/dbraw/zinc/42/11/61/590421161.db2.gz RPTJKCXPAGUQKP-UHFFFAOYSA-N 1 2 227.304 0.642 20 0 BCADLO C[S@@](=N)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000877790948 590423848 /nfs/dbraw/zinc/42/38/48/590423848.db2.gz AHXJEUIGSGLBQP-INIZCTEOSA-N 1 2 243.336 0.119 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](CC3(F)CC3)CC[C@@H]2C1 ZINC000877790844 590424173 /nfs/dbraw/zinc/42/41/73/590424173.db2.gz OOHKPPLFDHFGKF-NXEZZACHSA-N 1 2 247.335 0.855 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](CC3(F)CC3)CC[C@@H]2C1 ZINC000877790844 590424174 /nfs/dbraw/zinc/42/41/74/590424174.db2.gz OOHKPPLFDHFGKF-NXEZZACHSA-N 1 2 247.335 0.855 20 0 BCADLO COC(=O)C[N@H+](C)CC[C@H](O)C(C)C ZINC000877921969 590446693 /nfs/dbraw/zinc/44/66/93/590446693.db2.gz RBHSQPYOQAKFGD-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO COC(=O)C[N@@H+](C)CC[C@H](O)C(C)C ZINC000877921969 590446695 /nfs/dbraw/zinc/44/66/95/590446695.db2.gz RBHSQPYOQAKFGD-VIFPVBQESA-N 1 2 203.282 0.498 20 0 BCADLO COCC[N@H+](C)CC(=O)Nc1ncccc1C ZINC000877983170 590465617 /nfs/dbraw/zinc/46/56/17/590465617.db2.gz KVVUWZRQKHCICI-UHFFFAOYSA-N 1 2 237.303 0.907 20 0 BCADLO COCC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000877983170 590465618 /nfs/dbraw/zinc/46/56/18/590465618.db2.gz KVVUWZRQKHCICI-UHFFFAOYSA-N 1 2 237.303 0.907 20 0 BCADLO CC(C)C[N@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878001526 590470366 /nfs/dbraw/zinc/47/03/66/590470366.db2.gz SPNXFHSQCPGRTK-MRXNPFEDSA-N 1 2 249.380 0.675 20 0 BCADLO CC(C)C[N@@H+](C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878001526 590470368 /nfs/dbraw/zinc/47/03/68/590470368.db2.gz SPNXFHSQCPGRTK-MRXNPFEDSA-N 1 2 249.380 0.675 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC000878030996 590475210 /nfs/dbraw/zinc/47/52/10/590475210.db2.gz NGIOSTOREDUWCZ-SECBINFHSA-N 1 2 247.302 0.270 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC000878030996 590475213 /nfs/dbraw/zinc/47/52/13/590475213.db2.gz NGIOSTOREDUWCZ-SECBINFHSA-N 1 2 247.302 0.270 20 0 BCADLO O=C1C[N@H+](CCCOC(F)(F)F)CCCN1 ZINC000878039561 590476999 /nfs/dbraw/zinc/47/69/99/590476999.db2.gz YBDCHJREABOFCX-UHFFFAOYSA-N 1 2 240.225 0.735 20 0 BCADLO O=C1C[N@@H+](CCCOC(F)(F)F)CCCN1 ZINC000878039561 590477002 /nfs/dbraw/zinc/47/70/02/590477002.db2.gz YBDCHJREABOFCX-UHFFFAOYSA-N 1 2 240.225 0.735 20 0 BCADLO OCC[NH+](CCO)Cc1nc2c(o1)CCCC2 ZINC000878049288 590481523 /nfs/dbraw/zinc/48/15/23/590481523.db2.gz IOLCLTCRBZZARF-UHFFFAOYSA-N 1 2 240.303 0.340 20 0 BCADLO CO[C@H]1C[C@@H](C[NH+]2CCS(=O)CC2)C1 ZINC000878094747 590491678 /nfs/dbraw/zinc/49/16/78/590491678.db2.gz XUIPVCZQHWYNTM-AOOOYVTPSA-N 1 2 217.334 0.476 20 0 BCADLO CN1CC[N@H+](C[C@H]2CC3(CCC3)CO2)CC1=O ZINC000878125390 590500930 /nfs/dbraw/zinc/50/09/30/590500930.db2.gz NPKUVRDKDUVOIX-LLVKDONJSA-N 1 2 238.331 0.720 20 0 BCADLO CN1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)CC1=O ZINC000878125390 590500932 /nfs/dbraw/zinc/50/09/32/590500932.db2.gz NPKUVRDKDUVOIX-LLVKDONJSA-N 1 2 238.331 0.720 20 0 BCADLO CN1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)CC1=O ZINC000878127070 590500950 /nfs/dbraw/zinc/50/09/50/590500950.db2.gz XXLDTWOFDCUFBY-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC1=O ZINC000878127070 590500953 /nfs/dbraw/zinc/50/09/53/590500953.db2.gz XXLDTWOFDCUFBY-NSHDSACASA-N 1 2 240.347 0.966 20 0 BCADLO CN1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1=O ZINC000878126413 590501370 /nfs/dbraw/zinc/50/13/70/590501370.db2.gz XCJKHNHEDVQNLL-SDDRHHMPSA-N 1 2 238.331 0.718 20 0 BCADLO CN1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1=O ZINC000878126413 590501371 /nfs/dbraw/zinc/50/13/71/590501371.db2.gz XCJKHNHEDVQNLL-SDDRHHMPSA-N 1 2 238.331 0.718 20 0 BCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)COC1CC1 ZINC000878236984 590527410 /nfs/dbraw/zinc/52/74/10/590527410.db2.gz SOMOPKCSLWOCTL-SNVBAGLBSA-N 1 2 242.319 0.002 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC2(C1)OCCO2 ZINC000878237394 590527706 /nfs/dbraw/zinc/52/77/06/590527706.db2.gz XXHAKAAAMFBTMD-UHFFFAOYSA-N 1 2 225.292 0.238 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC2(C1)OCCO2 ZINC000878237394 590527708 /nfs/dbraw/zinc/52/77/08/590527708.db2.gz XXHAKAAAMFBTMD-UHFFFAOYSA-N 1 2 225.292 0.238 20 0 BCADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CCO[C@@H]1C ZINC000878262051 590530285 /nfs/dbraw/zinc/53/02/85/590530285.db2.gz HLTXMBZWIIEHIQ-MXWKQRLJSA-N 1 2 243.303 0.285 20 0 BCADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000878262051 590530287 /nfs/dbraw/zinc/53/02/87/590530287.db2.gz HLTXMBZWIIEHIQ-MXWKQRLJSA-N 1 2 243.303 0.285 20 0 BCADLO CC1=CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000878300208 590537205 /nfs/dbraw/zinc/53/72/05/590537205.db2.gz FYOQOAVEXFCGEX-UHFFFAOYSA-N 1 2 245.286 0.570 20 0 BCADLO CC1=CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000878300208 590537206 /nfs/dbraw/zinc/53/72/06/590537206.db2.gz FYOQOAVEXFCGEX-UHFFFAOYSA-N 1 2 245.286 0.570 20 0 BCADLO FC(F)[C@@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000878320364 590545426 /nfs/dbraw/zinc/54/54/26/590545426.db2.gz DLQCQSXUTHNYIK-ZETCQYMHSA-N 1 2 217.223 0.403 20 0 BCADLO FC(F)[C@@H]1CCC[N@H+]1CCn1cnnn1 ZINC000878320364 590545427 /nfs/dbraw/zinc/54/54/27/590545427.db2.gz DLQCQSXUTHNYIK-ZETCQYMHSA-N 1 2 217.223 0.403 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCn2cnnn2)n1 ZINC000878337322 590549637 /nfs/dbraw/zinc/54/96/37/590549637.db2.gz JPNRSCMVHXCJPC-VIFPVBQESA-N 1 2 233.279 0.233 20 0 BCADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCn2cnnn2)n1 ZINC000878337322 590549639 /nfs/dbraw/zinc/54/96/39/590549639.db2.gz JPNRSCMVHXCJPC-VIFPVBQESA-N 1 2 233.279 0.233 20 0 BCADLO Cn1nnnc1CC[N@@H+]1CCC=C(F)C1 ZINC000878338933 590550336 /nfs/dbraw/zinc/55/03/36/590550336.db2.gz DKTIHUXVPKDSOJ-UHFFFAOYSA-N 1 2 211.244 0.312 20 0 BCADLO Cn1nnnc1CC[N@H+]1CCC=C(F)C1 ZINC000878338933 590550337 /nfs/dbraw/zinc/55/03/37/590550337.db2.gz DKTIHUXVPKDSOJ-UHFFFAOYSA-N 1 2 211.244 0.312 20 0 BCADLO Cc1conc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000878395989 590559813 /nfs/dbraw/zinc/55/98/13/590559813.db2.gz HVUIKWCXMNYADY-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO Cc1conc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000878395989 590559814 /nfs/dbraw/zinc/55/98/14/590559814.db2.gz HVUIKWCXMNYADY-NSHDSACASA-N 1 2 226.276 0.566 20 0 BCADLO O=C1OCC[C@]12CCC[N@@H+]2CCc1cnccn1 ZINC000878464324 590571685 /nfs/dbraw/zinc/57/16/85/590571685.db2.gz VNTKRUGRCIUJCN-CYBMUJFWSA-N 1 2 247.298 0.801 20 0 BCADLO O=C1OCC[C@]12CCC[N@H+]2CCc1cnccn1 ZINC000878464324 590571686 /nfs/dbraw/zinc/57/16/86/590571686.db2.gz VNTKRUGRCIUJCN-CYBMUJFWSA-N 1 2 247.298 0.801 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCC[C@]12CCOC2=O ZINC000878464236 590571794 /nfs/dbraw/zinc/57/17/94/590571794.db2.gz SBEJDINTAGUASV-GFCCVEGCSA-N 1 2 237.303 0.571 20 0 BCADLO CCN(C#N)CC[N@H+]1CCC[C@]12CCOC2=O ZINC000878464236 590571796 /nfs/dbraw/zinc/57/17/96/590571796.db2.gz SBEJDINTAGUASV-GFCCVEGCSA-N 1 2 237.303 0.571 20 0 BCADLO CCN(CC(N)=O)Cc1[nH+]ccn1CC(F)F ZINC000878500030 590580913 /nfs/dbraw/zinc/58/09/13/590580913.db2.gz UKEIBSMWQQAAEA-UHFFFAOYSA-N 1 2 246.261 0.455 20 0 BCADLO CCN(C#N)CC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000878506240 590581998 /nfs/dbraw/zinc/58/19/98/590581998.db2.gz GKOGQBVQKLWMLM-SECBINFHSA-N 1 2 249.322 0.462 20 0 BCADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878534145 590587963 /nfs/dbraw/zinc/58/79/63/590587963.db2.gz XOHHAYKZNVBEDX-YUMQZZPRSA-N 1 2 233.275 0.400 20 0 BCADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878534144 590588208 /nfs/dbraw/zinc/58/82/08/590588208.db2.gz XOHHAYKZNVBEDX-OCAPTIKFSA-N 1 2 233.275 0.400 20 0 BCADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc2c(=O)[nH]ccn12 ZINC000878534144 590588210 /nfs/dbraw/zinc/58/82/10/590588210.db2.gz XOHHAYKZNVBEDX-OCAPTIKFSA-N 1 2 233.275 0.400 20 0 BCADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878533500 590588245 /nfs/dbraw/zinc/58/82/45/590588245.db2.gz PUCKGLRBVNJWOY-RKDXNWHRSA-N 1 2 247.302 0.411 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@H](O)C(C)C ZINC000878541056 590589021 /nfs/dbraw/zinc/58/90/21/590589021.db2.gz JMQJBOLIZXUFCI-DCAQKATOSA-N 1 2 247.310 0.979 20 0 BCADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@H](O)C(C)C ZINC000878541056 590589023 /nfs/dbraw/zinc/58/90/23/590589023.db2.gz JMQJBOLIZXUFCI-DCAQKATOSA-N 1 2 247.310 0.979 20 0 BCADLO CC[S@@](=O)CCNc1cc[nH+]c(C)n1 ZINC000127188070 590589373 /nfs/dbraw/zinc/58/93/73/590589373.db2.gz NXZWOIRUSGMQGR-AWEZNQCLSA-N 1 2 213.306 0.966 20 0 BCADLO CC(C)[C@H](O)CC[NH2+][C@]1(C)CCOC1=O ZINC000878633217 590598145 /nfs/dbraw/zinc/59/81/45/590598145.db2.gz WFTXANOIQJSQLC-MWLCHTKSSA-N 1 2 215.293 0.689 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878652444 590602134 /nfs/dbraw/zinc/60/21/34/590602134.db2.gz PMKGLZZMOPLKSY-DTWKUNHWSA-N 1 2 247.302 0.268 20 0 BCADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc2c(=O)n(C)ccn12 ZINC000878652444 590602136 /nfs/dbraw/zinc/60/21/36/590602136.db2.gz PMKGLZZMOPLKSY-DTWKUNHWSA-N 1 2 247.302 0.268 20 0 BCADLO CC(=O)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000878678875 590608286 /nfs/dbraw/zinc/60/82/86/590608286.db2.gz MXDVQJWJOSARQR-UHFFFAOYSA-N 1 2 237.278 0.932 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nocc1C ZINC000878706385 590613005 /nfs/dbraw/zinc/61/30/05/590613005.db2.gz WJXCQFWJLSZNHT-VHSXEESVSA-N 1 2 212.249 0.486 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CC1OCCO1 ZINC000878752394 590618251 /nfs/dbraw/zinc/61/82/51/590618251.db2.gz NTTDKEIKKJCFHF-OPRDCNLKSA-N 1 2 242.319 0.299 20 0 BCADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CC1OCCO1 ZINC000878752394 590618253 /nfs/dbraw/zinc/61/82/53/590618253.db2.gz NTTDKEIKKJCFHF-OPRDCNLKSA-N 1 2 242.319 0.299 20 0 BCADLO COCCCNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793117 590624189 /nfs/dbraw/zinc/62/41/89/590624189.db2.gz FQCDRSOPFHBXHQ-UHFFFAOYSA-N 1 2 246.738 0.968 20 0 BCADLO COCCCNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793117 590624190 /nfs/dbraw/zinc/62/41/90/590624190.db2.gz FQCDRSOPFHBXHQ-UHFFFAOYSA-N 1 2 246.738 0.968 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793430 590624215 /nfs/dbraw/zinc/62/42/15/590624215.db2.gz MPMBUINRZLZHDN-ZETCQYMHSA-N 1 2 245.710 0.659 20 0 BCADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793430 590624216 /nfs/dbraw/zinc/62/42/16/590624216.db2.gz MPMBUINRZLZHDN-ZETCQYMHSA-N 1 2 245.710 0.659 20 0 BCADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC=C(Cl)C1 ZINC000878793260 590624265 /nfs/dbraw/zinc/62/42/65/590624265.db2.gz KQCAADCTFDHPHY-ZCFIWIBFSA-N 1 2 231.683 0.398 20 0 BCADLO Cc1oncc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878824722 590628895 /nfs/dbraw/zinc/62/88/95/590628895.db2.gz NDYFNJWWJQYSBE-UHFFFAOYSA-N 1 2 248.290 0.423 20 0 BCADLO CO[C@@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CCO1 ZINC000878969880 590663525 /nfs/dbraw/zinc/66/35/25/590663525.db2.gz FRONLCLOWRYUNM-ZJUUUORDSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CCO1 ZINC000878969880 590663526 /nfs/dbraw/zinc/66/35/26/590663526.db2.gz FRONLCLOWRYUNM-ZJUUUORDSA-N 1 2 231.292 0.443 20 0 BCADLO CO[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000878967350 590663552 /nfs/dbraw/zinc/66/35/52/590663552.db2.gz RWWFHZCUZAXKPM-LLVKDONJSA-N 1 2 225.292 0.533 20 0 BCADLO CO[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000878967350 590663554 /nfs/dbraw/zinc/66/35/54/590663554.db2.gz RWWFHZCUZAXKPM-LLVKDONJSA-N 1 2 225.292 0.533 20 0 BCADLO Cl/C=C\C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878986702 590668237 /nfs/dbraw/zinc/66/82/37/590668237.db2.gz WQAFTGWMLUZMQV-SYBPUXJVSA-N 1 2 242.710 0.731 20 0 BCADLO Cl/C=C\C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878986702 590668241 /nfs/dbraw/zinc/66/82/41/590668241.db2.gz WQAFTGWMLUZMQV-SYBPUXJVSA-N 1 2 242.710 0.731 20 0 BCADLO C[C@@]1(C(F)F)C[N@H+](CCn2cnnn2)CCO1 ZINC000879008597 590676992 /nfs/dbraw/zinc/67/69/92/590676992.db2.gz IJUCNZICOKITOO-VIFPVBQESA-N 1 2 247.249 0.029 20 0 BCADLO C[C@@]1(C(F)F)C[N@@H+](CCn2cnnn2)CCO1 ZINC000879008597 590676995 /nfs/dbraw/zinc/67/69/95/590676995.db2.gz IJUCNZICOKITOO-VIFPVBQESA-N 1 2 247.249 0.029 20 0 BCADLO Cc1conc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000879038590 590684239 /nfs/dbraw/zinc/68/42/39/590684239.db2.gz VVHLUYYMEYSJHP-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO Cc1conc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000879038590 590684242 /nfs/dbraw/zinc/68/42/42/590684242.db2.gz VVHLUYYMEYSJHP-VIFPVBQESA-N 1 2 209.249 0.433 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cnon2)CC1 ZINC000879045179 590685119 /nfs/dbraw/zinc/68/51/19/590685119.db2.gz WMSDUTJZBYNGEA-VIFPVBQESA-N 1 2 242.254 0.105 20 0 BCADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000879043487 590685713 /nfs/dbraw/zinc/68/57/13/590685713.db2.gz IXQGLIXHTMLIPE-JTQLQIEISA-N 1 2 240.282 0.445 20 0 BCADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1COC(=O)C1 ZINC000879072907 590691954 /nfs/dbraw/zinc/69/19/54/590691954.db2.gz IXYSSQAVQKFMGG-QMMMGPOBSA-N 1 2 235.243 0.249 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000879324810 590744880 /nfs/dbraw/zinc/74/48/80/590744880.db2.gz JZPRCLHFNOUKEH-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000879324810 590744883 /nfs/dbraw/zinc/74/48/83/590744883.db2.gz JZPRCLHFNOUKEH-RKDXNWHRSA-N 1 2 225.296 0.209 20 0 BCADLO O=C(COC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000879552695 590799113 /nfs/dbraw/zinc/79/91/13/590799113.db2.gz JPIBJVYMSKBFTK-VIFPVBQESA-N 1 2 235.287 0.493 20 0 BCADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)[nH]1 ZINC000879563377 590802691 /nfs/dbraw/zinc/80/26/91/590802691.db2.gz SJCQAXLNNYXSBA-HTQZYQBOSA-N 1 2 240.332 0.695 20 0 BCADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)[nH]1 ZINC000879563377 590802692 /nfs/dbraw/zinc/80/26/92/590802692.db2.gz SJCQAXLNNYXSBA-HTQZYQBOSA-N 1 2 240.332 0.695 20 0 BCADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566146 590807763 /nfs/dbraw/zinc/80/77/63/590807763.db2.gz SHLYUPDGEMNFQD-IUCAKERBSA-N 1 2 224.333 0.990 20 0 BCADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566146 590807768 /nfs/dbraw/zinc/80/77/68/590807768.db2.gz SHLYUPDGEMNFQD-IUCAKERBSA-N 1 2 224.333 0.990 20 0 BCADLO O[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000879610852 590829605 /nfs/dbraw/zinc/82/96/05/590829605.db2.gz VGSXEKLMTKADIK-ZJUUUORDSA-N 1 2 238.287 0.480 20 0 BCADLO O[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000879610852 590829608 /nfs/dbraw/zinc/82/96/08/590829608.db2.gz VGSXEKLMTKADIK-ZJUUUORDSA-N 1 2 238.287 0.480 20 0 BCADLO Cc1nc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879618565 590832897 /nfs/dbraw/zinc/83/28/97/590832897.db2.gz XUJKJLYDODPLJW-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO Cc1nc(C[N@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879618565 590832900 /nfs/dbraw/zinc/83/29/00/590832900.db2.gz XUJKJLYDODPLJW-SECBINFHSA-N 1 2 225.292 0.971 20 0 BCADLO CCc1nnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879623686 590835812 /nfs/dbraw/zinc/83/58/12/590835812.db2.gz XTDOVSYVCUTVDA-SECBINFHSA-N 1 2 238.335 0.960 20 0 BCADLO CCc1nnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879623686 590835813 /nfs/dbraw/zinc/83/58/13/590835813.db2.gz XTDOVSYVCUTVDA-SECBINFHSA-N 1 2 238.335 0.960 20 0 BCADLO CC1(C)C[C@@H](O)C[N@H+](Cc2cnon2)C1 ZINC000879624708 590837239 /nfs/dbraw/zinc/83/72/39/590837239.db2.gz ZOBOJHZAWLTPLU-SECBINFHSA-N 1 2 211.265 0.662 20 0 BCADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000879624708 590837242 /nfs/dbraw/zinc/83/72/42/590837242.db2.gz ZOBOJHZAWLTPLU-SECBINFHSA-N 1 2 211.265 0.662 20 0 BCADLO C[S@@](=N)(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000879946782 590893136 /nfs/dbraw/zinc/89/31/36/590893136.db2.gz GJDYXYBCZAWKML-INIZCTEOSA-N 1 2 243.336 0.119 20 0 BCADLO C[S@@](=N)(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000879946782 590893140 /nfs/dbraw/zinc/89/31/40/590893140.db2.gz GJDYXYBCZAWKML-INIZCTEOSA-N 1 2 243.336 0.119 20 0 BCADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CC[S@](C)=O ZINC000879981886 590904160 /nfs/dbraw/zinc/90/41/60/590904160.db2.gz WINZZSJNFWMWCS-HWPZZCPQSA-N 1 2 247.360 0.686 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H](C(F)(F)F)O1 ZINC000880055482 590915003 /nfs/dbraw/zinc/91/50/03/590915003.db2.gz ZGNNTKBCORJQLB-BQBZGAKWSA-N 1 2 240.225 0.513 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H](C(F)(F)F)O1 ZINC000880055482 590915004 /nfs/dbraw/zinc/91/50/04/590915004.db2.gz ZGNNTKBCORJQLB-BQBZGAKWSA-N 1 2 240.225 0.513 20 0 BCADLO CC/C=C\CC[NH+](CC(=O)NC)CC(=O)NC ZINC000880152332 590947113 /nfs/dbraw/zinc/94/71/13/590947113.db2.gz BQHQFAKREQGHHU-WAYWQWQTSA-N 1 2 241.335 0.137 20 0 BCADLO Cn1ccnc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167593 590949209 /nfs/dbraw/zinc/94/92/09/590949209.db2.gz PGONHICITJHCFX-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO Cn1ccnc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167593 590949212 /nfs/dbraw/zinc/94/92/12/590949212.db2.gz PGONHICITJHCFX-UHFFFAOYSA-N 1 2 248.330 0.665 20 0 BCADLO NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190941 590956107 /nfs/dbraw/zinc/95/61/07/590956107.db2.gz NERCGROFKNDJON-RYUDHWBXSA-N 1 2 231.299 0.435 20 0 BCADLO NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190941 590956108 /nfs/dbraw/zinc/95/61/08/590956108.db2.gz NERCGROFKNDJON-RYUDHWBXSA-N 1 2 231.299 0.435 20 0 BCADLO Cc1cc(C)c(CNC(=O)c2nnn(C)n2)c[nH+]1 ZINC000880240732 590974460 /nfs/dbraw/zinc/97/44/60/590974460.db2.gz JVLIGAKQHIIQRC-UHFFFAOYSA-N 1 2 246.274 0.152 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccon1 ZINC000880291524 590983055 /nfs/dbraw/zinc/98/30/55/590983055.db2.gz NBVGNFVFDAXUTQ-QMMMGPOBSA-N 1 2 227.239 0.905 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1ccon1 ZINC000880291524 590983059 /nfs/dbraw/zinc/98/30/59/590983059.db2.gz NBVGNFVFDAXUTQ-QMMMGPOBSA-N 1 2 227.239 0.905 20 0 BCADLO FC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000880290202 590983798 /nfs/dbraw/zinc/98/37/98/590983798.db2.gz UKNHWCFCNUSYAB-MRVPVSSYSA-N 1 2 225.271 0.799 20 0 BCADLO FC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000880290202 590983799 /nfs/dbraw/zinc/98/37/99/590983799.db2.gz UKNHWCFCNUSYAB-MRVPVSSYSA-N 1 2 225.271 0.799 20 0 BCADLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1nncs1 ZINC000880298245 590992826 /nfs/dbraw/zinc/99/28/26/590992826.db2.gz WGTOQSARALWXSQ-ZETCQYMHSA-N 1 2 244.295 0.768 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1nncs1 ZINC000880298245 590992828 /nfs/dbraw/zinc/99/28/28/590992828.db2.gz WGTOQSARALWXSQ-ZETCQYMHSA-N 1 2 244.295 0.768 20 0 BCADLO COC(=O)[C@H]([NH2+]CCSC)C1CCOCC1 ZINC000880335440 591007318 /nfs/dbraw/zinc/00/73/18/591007318.db2.gz YEDWDEPUZDIHMQ-SNVBAGLBSA-N 1 2 247.360 0.907 20 0 BCADLO CC(C)OCC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880397792 591020572 /nfs/dbraw/zinc/02/05/72/591020572.db2.gz SKFJCAXVYUVYSA-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO CC(C)OCC[N@H+]1CCC(=O)NCC12COC2 ZINC000880397792 591020577 /nfs/dbraw/zinc/02/05/77/591020577.db2.gz SKFJCAXVYUVYSA-UHFFFAOYSA-N 1 2 242.319 0.002 20 0 BCADLO O[C@]12C[C@H]1C[N@H+](Cc1nccn1CC(F)F)C2 ZINC000880420561 591028773 /nfs/dbraw/zinc/02/87/73/591028773.db2.gz JKZCMYWULWFDKG-KWQFWETISA-N 1 2 243.257 0.715 20 0 BCADLO O[C@]12C[C@H]1C[N@@H+](Cc1nccn1CC(F)F)C2 ZINC000880420561 591028776 /nfs/dbraw/zinc/02/87/76/591028776.db2.gz JKZCMYWULWFDKG-KWQFWETISA-N 1 2 243.257 0.715 20 0 BCADLO O[C@]12C[C@H]1CN(Cc1[nH+]ccn1CC(F)F)C2 ZINC000880420561 591028781 /nfs/dbraw/zinc/02/87/81/591028781.db2.gz JKZCMYWULWFDKG-KWQFWETISA-N 1 2 243.257 0.715 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cnon1 ZINC000880435041 591036787 /nfs/dbraw/zinc/03/67/87/591036787.db2.gz IGZGCJSJSHESLX-UWVGGRQHSA-N 1 2 227.264 0.305 20 0 BCADLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cnon1 ZINC000880435041 591036790 /nfs/dbraw/zinc/03/67/90/591036790.db2.gz IGZGCJSJSHESLX-UWVGGRQHSA-N 1 2 227.264 0.305 20 0 BCADLO COC(=O)c1occc1C[N@@H+]1CC=C[C@H]1CO ZINC000880485590 591057821 /nfs/dbraw/zinc/05/78/21/591057821.db2.gz JIOZSNZROWKCGE-JTQLQIEISA-N 1 2 237.255 0.799 20 0 BCADLO COC(=O)c1occc1C[N@H+]1CC=C[C@H]1CO ZINC000880485590 591057826 /nfs/dbraw/zinc/05/78/26/591057826.db2.gz JIOZSNZROWKCGE-JTQLQIEISA-N 1 2 237.255 0.799 20 0 BCADLO CN(C(=O)C[N@@H+]1CC=C[C@H]1CO)c1ccccc1 ZINC000880486669 591060182 /nfs/dbraw/zinc/06/01/82/591060182.db2.gz TURXEWYWHURGOH-ZDUSSCGKSA-N 1 2 246.310 0.882 20 0 BCADLO CN(C(=O)C[N@H+]1CC=C[C@H]1CO)c1ccccc1 ZINC000880486669 591060185 /nfs/dbraw/zinc/06/01/85/591060185.db2.gz TURXEWYWHURGOH-ZDUSSCGKSA-N 1 2 246.310 0.882 20 0 BCADLO Cc1ccnc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880488502 591064851 /nfs/dbraw/zinc/06/48/51/591064851.db2.gz GMWQASJTOKIGTB-SNVBAGLBSA-N 1 2 205.261 0.518 20 0 BCADLO Cc1ccnc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880488502 591064856 /nfs/dbraw/zinc/06/48/56/591064856.db2.gz GMWQASJTOKIGTB-SNVBAGLBSA-N 1 2 205.261 0.518 20 0 BCADLO CC(C)(C)CNC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880493309 591070451 /nfs/dbraw/zinc/07/04/51/591070451.db2.gz AOYHREBKFDADSX-JTQLQIEISA-N 1 2 226.320 0.381 20 0 BCADLO CC(C)(C)CNC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880493309 591070453 /nfs/dbraw/zinc/07/04/53/591070453.db2.gz AOYHREBKFDADSX-JTQLQIEISA-N 1 2 226.320 0.381 20 0 BCADLO CCn1ncnc1C[N@@H+]1CC=C[C@H]1CO ZINC000880493098 591071321 /nfs/dbraw/zinc/07/13/21/591071321.db2.gz YXUUGURNPOCLMM-VIFPVBQESA-N 1 2 208.265 0.031 20 0 BCADLO CCn1ncnc1C[N@H+]1CC=C[C@H]1CO ZINC000880493098 591071322 /nfs/dbraw/zinc/07/13/22/591071322.db2.gz YXUUGURNPOCLMM-VIFPVBQESA-N 1 2 208.265 0.031 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(C)on2)C1 ZINC000880559320 591092973 /nfs/dbraw/zinc/09/29/73/591092973.db2.gz MNNJNXRSFSNDOO-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000880559320 591092977 /nfs/dbraw/zinc/09/29/77/591092977.db2.gz MNNJNXRSFSNDOO-LLVKDONJSA-N 1 2 240.259 0.093 20 0 BCADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2ncncc2C1 ZINC000880595668 591104996 /nfs/dbraw/zinc/10/49/96/591104996.db2.gz UHGRRKYXAPRXJY-JTQLQIEISA-N 1 2 220.276 0.099 20 0 BCADLO CC[C@@H](C(N)=O)[N@H+]1CCc2ncncc2C1 ZINC000880595668 591104998 /nfs/dbraw/zinc/10/49/98/591104998.db2.gz UHGRRKYXAPRXJY-JTQLQIEISA-N 1 2 220.276 0.099 20 0 BCADLO CCN(C#N)CC[N@@H+]1CCc2ncncc2C1 ZINC000880598815 591107902 /nfs/dbraw/zinc/10/79/02/591107902.db2.gz YGJWZVZTPRWWOW-UHFFFAOYSA-N 1 2 231.303 0.638 20 0 BCADLO CCN(C#N)CC[N@H+]1CCc2ncncc2C1 ZINC000880598815 591107905 /nfs/dbraw/zinc/10/79/05/591107905.db2.gz YGJWZVZTPRWWOW-UHFFFAOYSA-N 1 2 231.303 0.638 20 0 BCADLO C[C@@H](C(=O)NC1CSC1)[NH+]1CCSCC1 ZINC000880732740 591132612 /nfs/dbraw/zinc/13/26/12/591132612.db2.gz QAKMGYZDPJZATG-QMMMGPOBSA-N 1 2 246.401 0.655 20 0 BCADLO CC1CN(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1 ZINC000880818729 591143610 /nfs/dbraw/zinc/14/36/10/591143610.db2.gz FXDYVZDNFIMJBP-UHFFFAOYSA-N 1 2 249.318 0.812 20 0 BCADLO CC1CN(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1 ZINC000880818729 591143612 /nfs/dbraw/zinc/14/36/12/591143612.db2.gz FXDYVZDNFIMJBP-UHFFFAOYSA-N 1 2 249.318 0.812 20 0 BCADLO Cl/C=C\Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000881427170 591204158 /nfs/dbraw/zinc/20/41/58/591204158.db2.gz FACQDUZWROQERH-JKERVTFKSA-N 1 2 228.683 0.692 20 0 BCADLO CC[C@H](C(=O)NCc1c[nH+]cn1C)[C@@H](C)O ZINC000881450072 591207132 /nfs/dbraw/zinc/20/71/32/591207132.db2.gz QQRXSBHLDNFCGJ-SCZZXKLOSA-N 1 2 225.292 0.443 20 0 BCADLO CC[C@@H](C(=O)NCc1c[nH+]cn1C)[C@@H](C)O ZINC000881450071 591207410 /nfs/dbraw/zinc/20/74/10/591207410.db2.gz QQRXSBHLDNFCGJ-PSASIEDQSA-N 1 2 225.292 0.443 20 0 BCADLO C[C@H](C(=O)N1CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000881480376 591208901 /nfs/dbraw/zinc/20/89/01/591208901.db2.gz SILPXJKPFJSEAM-GHMZBOCLSA-N 1 2 225.336 0.243 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C=CCC1 ZINC000881496187 591218763 /nfs/dbraw/zinc/21/87/63/591218763.db2.gz TXFUJNDGNLANDB-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C=CCC1 ZINC000881496187 591218765 /nfs/dbraw/zinc/21/87/65/591218765.db2.gz TXFUJNDGNLANDB-VXGBXAGGSA-N 1 2 238.331 0.790 20 0 BCADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CF)C1 ZINC000881673428 591263832 /nfs/dbraw/zinc/26/38/32/591263832.db2.gz GWNBKJMGCZESOX-SECBINFHSA-N 1 2 225.267 0.781 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2CCS(=O)(=O)C2)c1C ZINC000881765265 591269595 /nfs/dbraw/zinc/26/95/95/591269595.db2.gz YEFHNMNGRQGXDJ-VIFPVBQESA-N 1 2 241.316 0.692 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(C=O)cn1 ZINC000881801514 591271909 /nfs/dbraw/zinc/27/19/09/591271909.db2.gz JUGRIGXVWFRBIB-SECBINFHSA-N 1 2 231.259 0.986 20 0 BCADLO CS(=O)(=O)CCNc1cc(CO)cc[nH+]1 ZINC000881835025 591273797 /nfs/dbraw/zinc/27/37/97/591273797.db2.gz NSCLXHZMQFGNMX-UHFFFAOYSA-N 1 2 230.289 0.030 20 0 BCADLO Cc1[nH+]cnc(NC[C@@H]2COCCO2)c1C ZINC000881830701 591273875 /nfs/dbraw/zinc/27/38/75/591273875.db2.gz GPRFGYKACJFLJV-SNVBAGLBSA-N 1 2 223.276 0.921 20 0 BCADLO CNC(=O)CCN(C)c1nc[nH+]c(C)c1C ZINC000881912085 591277812 /nfs/dbraw/zinc/27/78/12/591277812.db2.gz WIBYIMBXQVDIRL-UHFFFAOYSA-N 1 2 222.292 0.666 20 0 BCADLO OCc1cc[nH+]c(NCCn2cncn2)c1 ZINC000881918377 591277945 /nfs/dbraw/zinc/27/79/45/591277945.db2.gz NHDHYLGUJNOLGL-UHFFFAOYSA-N 1 2 219.248 0.278 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@H](C(N)=O)C2)c1C ZINC000881922774 591278783 /nfs/dbraw/zinc/27/87/83/591278783.db2.gz SZCKACOSRWGYQU-VIFPVBQESA-N 1 2 220.276 0.405 20 0 BCADLO C[S@@](=O)CCNc1cc(CO)cc[nH+]1 ZINC000881989912 591286299 /nfs/dbraw/zinc/28/62/99/591286299.db2.gz URNFCLTYLNMZDK-CQSZACIVSA-N 1 2 214.290 0.364 20 0 BCADLO Cc1[nH+]cnc(NC[C@@]2(O)CCOC2)c1C ZINC000882133361 591303422 /nfs/dbraw/zinc/30/34/22/591303422.db2.gz NZWUCUZYLYQTRO-NSHDSACASA-N 1 2 223.276 0.657 20 0 BCADLO Cc1[nH+]cnc(NCc2ncn(C)n2)c1C ZINC000882151414 591307025 /nfs/dbraw/zinc/30/70/25/591307025.db2.gz BWGQDUJLBPTZKK-UHFFFAOYSA-N 1 2 218.264 0.834 20 0 BCADLO CC[N@@H+]1CCN(S(=O)(=O)C2CCC2)[C@H](C)C1 ZINC000882189463 591313552 /nfs/dbraw/zinc/31/35/52/591313552.db2.gz PSXNXEPAUYAALH-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO CC[N@H+]1CCN(S(=O)(=O)C2CCC2)[C@H](C)C1 ZINC000882189463 591313554 /nfs/dbraw/zinc/31/35/54/591313554.db2.gz PSXNXEPAUYAALH-SNVBAGLBSA-N 1 2 246.376 0.895 20 0 BCADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000882225315 591318034 /nfs/dbraw/zinc/31/80/34/591318034.db2.gz BXBJFUUNBPRXNK-SECBINFHSA-N 1 2 241.316 0.800 20 0 BCADLO CCCNc1cc(NCC(=O)NCC)nc[nH+]1 ZINC000129582657 591329221 /nfs/dbraw/zinc/32/92/21/591329221.db2.gz QKSOZOAGMXMSAM-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO CCCNc1cc(NCC(=O)NCC)[nH+]cn1 ZINC000129582657 591329225 /nfs/dbraw/zinc/32/92/25/591329225.db2.gz QKSOZOAGMXMSAM-UHFFFAOYSA-N 1 2 237.307 0.847 20 0 BCADLO C=C=CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882328604 591332266 /nfs/dbraw/zinc/33/22/66/591332266.db2.gz LKTGETBORWNAQX-UHFFFAOYSA-N 1 2 227.289 0.144 20 0 BCADLO COC(=O)[C@H]1[C@@H]2CN(c3nc[nH+]c(C)c3C)C[C@@H]21 ZINC000882393058 591341999 /nfs/dbraw/zinc/34/19/99/591341999.db2.gz VNLBRDXBZVOGIB-URLYPYJESA-N 1 2 247.298 0.949 20 0 BCADLO Cn1ncc(CCCNc2cc(CO)cc[nH+]2)n1 ZINC000882401457 591343567 /nfs/dbraw/zinc/34/35/67/591343567.db2.gz YGWLADFRIPUNEW-UHFFFAOYSA-N 1 2 247.302 0.747 20 0 BCADLO Cc1[nH+]cnc(N2CC[C@H](O)[C@H](CO)C2)c1C ZINC000882466591 591352637 /nfs/dbraw/zinc/35/26/37/591352637.db2.gz BPAMEKROAZQBAZ-QWRGUYRKSA-N 1 2 237.303 0.273 20 0 BCADLO CON(C)C(=O)CNc1nc[nH+]c(C)c1C ZINC000882472335 591353839 /nfs/dbraw/zinc/35/38/39/591353839.db2.gz DYKBGFLVBYURTK-UHFFFAOYSA-N 1 2 224.264 0.525 20 0 BCADLO Cc1[nH+]cnc(N[C@H]2C[C@@H](C(N)=O)C2)c1C ZINC000882525614 591382203 /nfs/dbraw/zinc/38/22/03/591382203.db2.gz IHFWCNVANYXQDX-DTORHVGOSA-N 1 2 220.276 0.769 20 0 BCADLO Cc1[nH+]cnc(N2C[C@@H](CO)[C@H](CO)C2)c1C ZINC000882651565 591407225 /nfs/dbraw/zinc/40/72/25/591407225.db2.gz QKZGSSCSORHWQP-QWRGUYRKSA-N 1 2 237.303 0.130 20 0 BCADLO Cc1[nH+]cnc(NC[C@H](O)[C@H](C)O)c1C ZINC000882688340 591411074 /nfs/dbraw/zinc/41/10/74/591411074.db2.gz GKQVDRJRYGPPBO-IUCAKERBSA-N 1 2 211.265 0.247 20 0 BCADLO CN1C(=O)[C@H]2CN(c3cc[nH+]cc3F)C[C@H]2C1=O ZINC000882698246 591413750 /nfs/dbraw/zinc/41/37/50/591413750.db2.gz HBJAIWSOJSPHHQ-OCAPTIKFSA-N 1 2 249.245 0.272 20 0 BCADLO CC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC000882853709 591454583 /nfs/dbraw/zinc/45/45/83/591454583.db2.gz OSZDTUWCHZJKTA-TXEJJXNPSA-N 1 2 246.314 0.700 20 0 BCADLO C[C@@H](O)c1ccc(N2CCC[C@@H](C(N)=O)C2)[nH+]c1 ZINC000213218583 591455780 /nfs/dbraw/zinc/45/57/80/591455780.db2.gz HWVITHYRQSCWTE-MWLCHTKSSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@@H](O)c1ccc(N2CCC[C@H](C(N)=O)C2)[nH+]c1 ZINC000213218520 591456516 /nfs/dbraw/zinc/45/65/16/591456516.db2.gz HWVITHYRQSCWTE-KOLCDFICSA-N 1 2 249.314 0.837 20 0 BCADLO C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C)[nH+]c1 ZINC000213268398 591457800 /nfs/dbraw/zinc/45/78/00/591457800.db2.gz VFBLNWZJMDACNX-BDAKNGLRSA-N 1 2 235.287 0.460 20 0 BCADLO COc1cc(NC(=O)CCc2[nH]cc[nH+]2)n(C)n1 ZINC000882943955 591481039 /nfs/dbraw/zinc/48/10/39/591481039.db2.gz NOPGHDGATUIBQA-UHFFFAOYSA-N 1 2 249.274 0.723 20 0 BCADLO COc1ccccc1OCCO[NH+]=C(N)CO ZINC000883010783 591510765 /nfs/dbraw/zinc/51/07/65/591510765.db2.gz AFNYNBGYBRTGFS-UHFFFAOYSA-N 1 2 240.259 0.565 20 0 BCADLO NC(CO)=[NH+]OCc1csc(Cl)n1 ZINC000883012773 591512052 /nfs/dbraw/zinc/51/20/52/591512052.db2.gz SHERGUIWLGXIIW-UHFFFAOYSA-N 1 2 221.669 0.787 20 0 BCADLO COc1cccc(OCCO[NH+]=C(N)CO)c1 ZINC000883012249 591512420 /nfs/dbraw/zinc/51/24/20/591512420.db2.gz YTLBZIYCKTWKDZ-UHFFFAOYSA-N 1 2 240.259 0.565 20 0 BCADLO NC(CO)=[NH+]OCCO[C@H]1CCCCO1 ZINC000883012935 591513024 /nfs/dbraw/zinc/51/30/24/591513024.db2.gz YXQXIVXLQMBNLO-VIFPVBQESA-N 1 2 218.253 0.020 20 0 BCADLO NC(CO)=[NH+]OCc1ncccc1Cl ZINC000883013174 591514534 /nfs/dbraw/zinc/51/45/34/591514534.db2.gz HKVCNXNVBHXOCM-UHFFFAOYSA-N 1 2 215.640 0.726 20 0 BCADLO CC(C)c1c[nH]c(C[NH2+]Cc2cnnn2C)n1 ZINC000883121073 591542962 /nfs/dbraw/zinc/54/29/62/591542962.db2.gz WYJKKPKDIQUENT-UHFFFAOYSA-N 1 2 234.307 0.951 20 0 BCADLO CC[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000131130191 591558370 /nfs/dbraw/zinc/55/83/70/591558370.db2.gz MVBZWONEYAZTQU-SNVBAGLBSA-N 1 2 224.308 0.661 20 0 BCADLO CC[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000131130191 591558372 /nfs/dbraw/zinc/55/83/72/591558372.db2.gz MVBZWONEYAZTQU-SNVBAGLBSA-N 1 2 224.308 0.661 20 0 BCADLO CC[N@H+](CC(C)C)Cn1ncn(C)c1=O ZINC000131230970 591573964 /nfs/dbraw/zinc/57/39/64/591573964.db2.gz HHXBMQYAKDMXKK-UHFFFAOYSA-N 1 2 212.297 0.517 20 0 BCADLO CC[N@@H+](CC(C)C)Cn1ncn(C)c1=O ZINC000131230970 591573966 /nfs/dbraw/zinc/57/39/66/591573966.db2.gz HHXBMQYAKDMXKK-UHFFFAOYSA-N 1 2 212.297 0.517 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@@](C)(CCO)COC ZINC000132544372 591718975 /nfs/dbraw/zinc/71/89/75/591718975.db2.gz MPTLTTSTXJTSSB-JQWIXIFHSA-N 1 2 247.335 0.705 20 0 BCADLO Cn1cnn(C[N@@H+]2CCCC(C)(C)C2)c1=O ZINC000132703893 591730512 /nfs/dbraw/zinc/73/05/12/591730512.db2.gz AJBUKURCKPRHRW-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO Cn1cnn(C[N@H+]2CCCC(C)(C)C2)c1=O ZINC000132703893 591730515 /nfs/dbraw/zinc/73/05/15/591730515.db2.gz AJBUKURCKPRHRW-UHFFFAOYSA-N 1 2 224.308 0.661 20 0 BCADLO C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000884007853 591795049 /nfs/dbraw/zinc/79/50/49/591795049.db2.gz RDDRYYODQZHWHX-CABZTGNLSA-N 1 2 248.330 0.507 20 0 BCADLO CCCNc1cc(N2CCNC(=O)[C@@H]2C)nc[nH+]1 ZINC000133459601 591797899 /nfs/dbraw/zinc/79/78/99/591797899.db2.gz LBQLZEAWWAGZGU-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N2CCNC(=O)[C@@H]2C)[nH+]cn1 ZINC000133459601 591797900 /nfs/dbraw/zinc/79/79/00/591797900.db2.gz LBQLZEAWWAGZGU-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CC(=O)CCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000800091415 591820743 /nfs/dbraw/zinc/82/07/43/591820743.db2.gz HDHANCBIJJNAGS-NSHDSACASA-N 1 2 243.303 0.620 20 0 BCADLO CC(=O)CCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000800091414 591820797 /nfs/dbraw/zinc/82/07/97/591820797.db2.gz HDHANCBIJJNAGS-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CC(=O)CCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800093505 591821364 /nfs/dbraw/zinc/82/13/64/591821364.db2.gz PENWVGKQSAWLBF-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CC(=O)CCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800093505 591821368 /nfs/dbraw/zinc/82/13/68/591821368.db2.gz PENWVGKQSAWLBF-LLVKDONJSA-N 1 2 243.303 0.620 20 0 BCADLO CCO[C@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800136206 591827330 /nfs/dbraw/zinc/82/73/30/591827330.db2.gz MEMJORBUQVSJII-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO CCO[C@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800136206 591827332 /nfs/dbraw/zinc/82/73/32/591827332.db2.gz MEMJORBUQVSJII-GHMZBOCLSA-N 1 2 245.319 0.675 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)C2(O)CCC2)CCO1 ZINC000800144690 591828409 /nfs/dbraw/zinc/82/84/09/591828409.db2.gz BBGCIRPPPKFENA-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)C2(O)CCC2)CCO1 ZINC000800144690 591828412 /nfs/dbraw/zinc/82/84/12/591828412.db2.gz BBGCIRPPPKFENA-JTQLQIEISA-N 1 2 243.303 0.165 20 0 BCADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CCOC2)CCO1 ZINC000800152111 591828417 /nfs/dbraw/zinc/82/84/17/591828417.db2.gz SVPPKMZQZPSWSW-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CCOC2)CCO1 ZINC000800152111 591828420 /nfs/dbraw/zinc/82/84/20/591828420.db2.gz SVPPKMZQZPSWSW-QWRGUYRKSA-N 1 2 243.303 0.287 20 0 BCADLO CC(C)OCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800151806 591828426 /nfs/dbraw/zinc/82/84/26/591828426.db2.gz NMDBZHDTXLUTOH-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CC(C)OCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800151806 591828429 /nfs/dbraw/zinc/82/84/29/591828429.db2.gz NMDBZHDTXLUTOH-NSHDSACASA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](OC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800154450 591829066 /nfs/dbraw/zinc/82/90/66/591829066.db2.gz QTUUUZRUIFXRPU-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@@H](OC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800154450 591829068 /nfs/dbraw/zinc/82/90/68/591829068.db2.gz QTUUUZRUIFXRPU-WDEREUQCSA-N 1 2 245.319 0.675 20 0 BCADLO CC[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133601718 591842653 /nfs/dbraw/zinc/84/26/53/591842653.db2.gz FEMKYUPRZYXPCW-VIFPVBQESA-N 1 2 210.281 0.271 20 0 BCADLO CC[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133601718 591842655 /nfs/dbraw/zinc/84/26/55/591842655.db2.gz FEMKYUPRZYXPCW-VIFPVBQESA-N 1 2 210.281 0.271 20 0 BCADLO CCCNc1cc(NC[C@H](O)COC)nc[nH+]1 ZINC000134061111 591880409 /nfs/dbraw/zinc/88/04/09/591880409.db2.gz IXPFNQTVDYNOCJ-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CCCNc1cc(NC[C@H](O)COC)[nH+]cn1 ZINC000134061111 591880412 /nfs/dbraw/zinc/88/04/12/591880412.db2.gz IXPFNQTVDYNOCJ-VIFPVBQESA-N 1 2 240.307 0.718 20 0 BCADLO CCc1nc(N[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000884522963 591965915 /nfs/dbraw/zinc/96/59/15/591965915.db2.gz MNBZOBZHINDYSQ-HTQZYQBOSA-N 1 2 209.249 0.211 20 0 BCADLO CCC[C@@H](O)[C@@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884529634 591967513 /nfs/dbraw/zinc/96/75/13/591967513.db2.gz SJLMQLGRKZGWGV-NXEZZACHSA-N 1 2 239.319 0.973 20 0 BCADLO CCc1nc(NCCOCC(=O)OC)cc[nH+]1 ZINC000884565404 591982002 /nfs/dbraw/zinc/98/20/02/591982002.db2.gz JFNQGQOISPYPFW-UHFFFAOYSA-N 1 2 239.275 0.641 20 0 BCADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[C@@H]2C1 ZINC000884587750 591988242 /nfs/dbraw/zinc/98/82/42/591988242.db2.gz PPOQUNOWVVLSLT-OCAPTIKFSA-N 1 2 215.260 0.819 20 0 BCADLO Cc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000884623034 591995862 /nfs/dbraw/zinc/99/58/62/591995862.db2.gz LOISDKUSTNYHSC-AYMMMOKOSA-N 1 2 209.249 0.081 20 0 BCADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884621329 591995917 /nfs/dbraw/zinc/99/59/17/591995917.db2.gz FLUBNCSSISXFHF-PSVAKVPMSA-N 1 2 239.275 0.090 20 0 BCADLO O[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000884623017 591995936 /nfs/dbraw/zinc/99/59/36/591995936.db2.gz KQEYLOYBJQJFBE-ILWJIGKKSA-N 1 2 235.287 0.650 20 0 BCADLO O[C@@H]1CC[C@@H](Nc2cc[nH+]cc2F)CC[C@@H]1O ZINC000884625931 591996736 /nfs/dbraw/zinc/99/67/36/591996736.db2.gz WFCCSOBZBNNNAE-VTYGSRLXSA-N 1 2 240.278 0.719 20 0 BCADLO OCc1cc[nH+]c(N2CCCn3nncc3C2)c1 ZINC000884626575 591997279 /nfs/dbraw/zinc/99/72/79/591997279.db2.gz PBKRJBUMSLVYBW-UHFFFAOYSA-N 1 2 245.286 0.576 20 0 BCADLO Cc1cc(N2CCCn3nncc3C2)nc[nH+]1 ZINC000884627515 591997360 /nfs/dbraw/zinc/99/73/60/591997360.db2.gz SFYJCZNQLNVZPT-UHFFFAOYSA-N 1 2 230.275 0.787 20 0 BCADLO C[C@@H]1C[N@H+](CCOC(=O)COC2CC2)CCO1 ZINC000884658658 592005769 /nfs/dbraw/zinc/00/57/69/592005769.db2.gz TUGXFKPYSLRSLX-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO C[C@@H]1C[N@@H+](CCOC(=O)COC2CC2)CCO1 ZINC000884658658 592005772 /nfs/dbraw/zinc/00/57/72/592005772.db2.gz TUGXFKPYSLRSLX-SNVBAGLBSA-N 1 2 243.303 0.429 20 0 BCADLO O=C1NCCN1CCNc1cccc[nH+]1 ZINC000884693254 592012445 /nfs/dbraw/zinc/01/24/45/592012445.db2.gz RURCZPYVMCVEGF-UHFFFAOYSA-N 1 2 206.249 0.519 20 0 BCADLO Cn1cc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000135479810 592014708 /nfs/dbraw/zinc/01/47/08/592014708.db2.gz IXPZGJNHSSSWMZ-NSCUHMNNSA-N 1 2 245.286 0.515 20 0 BCADLO COC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000884774679 592016945 /nfs/dbraw/zinc/01/69/45/592016945.db2.gz OYUOKAXVIRMOFV-VIFPVBQESA-N 1 2 236.275 0.720 20 0 BCADLO C[C@H]1C(=O)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885052110 592040263 /nfs/dbraw/zinc/04/02/63/592040263.db2.gz MWQVCCDKYWHCSC-VIFPVBQESA-N 1 2 235.287 0.922 20 0 BCADLO C[C@@H]1C(=O)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000885052680 592040288 /nfs/dbraw/zinc/04/02/88/592040288.db2.gz YPXKTFLUAXMSML-SECBINFHSA-N 1 2 235.287 0.543 20 0 BCADLO COCCOC(=O)NCc1[nH+]ccn1C ZINC000885091624 592050909 /nfs/dbraw/zinc/05/09/09/592050909.db2.gz BACAXUYQSWHZAN-UHFFFAOYSA-N 1 2 213.237 0.293 20 0 BCADLO CCO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000885333160 592068548 /nfs/dbraw/zinc/06/85/48/592068548.db2.gz RWMOQABGLXPCRB-JTQLQIEISA-N 1 2 223.276 0.521 20 0 BCADLO CCO[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000885334474 592068652 /nfs/dbraw/zinc/06/86/52/592068652.db2.gz ANYCISFAAUBFMX-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO COCCOC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000885339605 592070277 /nfs/dbraw/zinc/07/02/77/592070277.db2.gz HKMPKWNWXSPNKT-UHFFFAOYSA-N 1 2 241.291 0.991 20 0 BCADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000885377984 592074431 /nfs/dbraw/zinc/07/44/31/592074431.db2.gz XODXKBRMRRHHPF-AOOOYVTPSA-N 1 2 241.316 0.165 20 0 BCADLO CCCCOC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000135887361 592076773 /nfs/dbraw/zinc/07/67/73/592076773.db2.gz DQBONFKGSBSRNF-UHFFFAOYSA-N 1 2 247.335 0.252 20 0 BCADLO CCCCOC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000135887361 592076775 /nfs/dbraw/zinc/07/67/75/592076775.db2.gz DQBONFKGSBSRNF-UHFFFAOYSA-N 1 2 247.335 0.252 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2c[nH]nc2C1)C(F)F ZINC000886081102 592144433 /nfs/dbraw/zinc/14/44/33/592144433.db2.gz ITLGHUYYVQJUBS-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2c[nH]nc2C1)C(F)F ZINC000886081102 592144434 /nfs/dbraw/zinc/14/44/34/592144434.db2.gz ITLGHUYYVQJUBS-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO C[C@@](O)(C[N@@H+]1CCc2cn[nH]c2C1)C(F)F ZINC000886081102 592144435 /nfs/dbraw/zinc/14/44/35/592144435.db2.gz ITLGHUYYVQJUBS-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO C[C@@](O)(C[N@H+]1CCc2cn[nH]c2C1)C(F)F ZINC000886081102 592144436 /nfs/dbraw/zinc/14/44/36/592144436.db2.gz ITLGHUYYVQJUBS-SNVBAGLBSA-N 1 2 231.246 0.784 20 0 BCADLO CCN1CC[N@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886134441 592160566 /nfs/dbraw/zinc/16/05/66/592160566.db2.gz RZLHYJAQKOLASV-SNVBAGLBSA-N 1 2 236.262 0.167 20 0 BCADLO CCN1CC[N@@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886134441 592160567 /nfs/dbraw/zinc/16/05/67/592160567.db2.gz RZLHYJAQKOLASV-SNVBAGLBSA-N 1 2 236.262 0.167 20 0 BCADLO c1c[nH+]c(CNc2n[nH]c3c2COCC3)[nH]1 ZINC000886207800 592176431 /nfs/dbraw/zinc/17/64/31/592176431.db2.gz MGEIXJBZJIACQP-UHFFFAOYSA-N 1 2 219.248 0.818 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886229115 592181349 /nfs/dbraw/zinc/18/13/49/592181349.db2.gz LGANOWLLAZDPOJ-RYUDHWBXSA-N 1 2 239.319 0.738 20 0 BCADLO O[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c3ccccc32)C[C@@H]1O ZINC000886243113 592183933 /nfs/dbraw/zinc/18/39/33/592183933.db2.gz OKBYZYSPRQFLPH-IXLQSRGQSA-N 1 2 247.298 0.537 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000886249724 592186417 /nfs/dbraw/zinc/18/64/17/592186417.db2.gz RMMHNYGUPBXNDM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000886249724 592186419 /nfs/dbraw/zinc/18/64/19/592186419.db2.gz RMMHNYGUPBXNDM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000886249724 592186421 /nfs/dbraw/zinc/18/64/21/592186421.db2.gz RMMHNYGUPBXNDM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000886249724 592186422 /nfs/dbraw/zinc/18/64/22/592186422.db2.gz RMMHNYGUPBXNDM-SNVBAGLBSA-N 1 2 222.292 0.429 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000886315590 592206394 /nfs/dbraw/zinc/20/63/94/592206394.db2.gz SXBCCIAWPFHPST-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000886315590 592206395 /nfs/dbraw/zinc/20/63/95/592206395.db2.gz SXBCCIAWPFHPST-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO Cc1cn[nH]c1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000886315590 592206397 /nfs/dbraw/zinc/20/63/97/592206397.db2.gz SXBCCIAWPFHPST-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO Cc1cn[nH]c1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000886315590 592206398 /nfs/dbraw/zinc/20/63/98/592206398.db2.gz SXBCCIAWPFHPST-UHFFFAOYSA-N 1 2 248.330 0.963 20 0 BCADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ncco1 ZINC000886532807 592249298 /nfs/dbraw/zinc/24/92/98/592249298.db2.gz PEYVMFAJTXWLBK-QMMMGPOBSA-N 1 2 232.305 0.760 20 0 BCADLO Cn1c[nH+]c(CN[C@H](CCO)C(F)(F)F)c1 ZINC000886370982 592220520 /nfs/dbraw/zinc/22/05/20/592220520.db2.gz BPEHHSFGFVDONO-MRVPVSSYSA-N 1 2 237.225 0.823 20 0 BCADLO CCc1nnc(C[N@@H+]2CCCn3nncc3C2)[nH]1 ZINC000886463003 592227796 /nfs/dbraw/zinc/22/77/96/592227796.db2.gz LULVLZNOBVOZBB-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO CCc1nnc(C[N@H+]2CCCn3nncc3C2)[nH]1 ZINC000886463003 592227798 /nfs/dbraw/zinc/22/77/98/592227798.db2.gz LULVLZNOBVOZBB-UHFFFAOYSA-N 1 2 247.306 0.365 20 0 BCADLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ncco1 ZINC000886528303 592245463 /nfs/dbraw/zinc/24/54/63/592245463.db2.gz KBFJWPMWFCWEEO-SECBINFHSA-N 1 2 239.275 0.184 20 0 BCADLO OC[C@]12CCC[C@H]1[N@H+](CCc1cnn[nH]1)CC2 ZINC000886634348 592284157 /nfs/dbraw/zinc/28/41/57/592284157.db2.gz BONMNPGJPUKVKI-VXGBXAGGSA-N 1 2 236.319 0.584 20 0 BCADLO OC[C@]12CCC[C@H]1[N@@H+](CCc1cnn[nH]1)CC2 ZINC000886634348 592284161 /nfs/dbraw/zinc/28/41/61/592284161.db2.gz BONMNPGJPUKVKI-VXGBXAGGSA-N 1 2 236.319 0.584 20 0 BCADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678506 592300794 /nfs/dbraw/zinc/30/07/94/592300794.db2.gz FMLPRBRXXSODLE-QWRGUYRKSA-N 1 2 247.298 0.972 20 0 BCADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678506 592300798 /nfs/dbraw/zinc/30/07/98/592300798.db2.gz FMLPRBRXXSODLE-QWRGUYRKSA-N 1 2 247.298 0.972 20 0 BCADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818078 592340751 /nfs/dbraw/zinc/34/07/51/592340751.db2.gz AGZJOTLXLKKWRK-CMPLNLGQSA-N 1 2 236.319 0.848 20 0 BCADLO c1nn[nH]c1CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818078 592340755 /nfs/dbraw/zinc/34/07/55/592340755.db2.gz AGZJOTLXLKKWRK-CMPLNLGQSA-N 1 2 236.319 0.848 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000886848756 592366076 /nfs/dbraw/zinc/36/60/76/592366076.db2.gz NCQNEVQPAWPNDQ-VIFPVBQESA-N 1 2 238.291 0.648 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000886848756 592366081 /nfs/dbraw/zinc/36/60/81/592366081.db2.gz NCQNEVQPAWPNDQ-VIFPVBQESA-N 1 2 238.291 0.648 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000886848756 592366086 /nfs/dbraw/zinc/36/60/86/592366086.db2.gz NCQNEVQPAWPNDQ-VIFPVBQESA-N 1 2 238.291 0.648 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000886848756 592366091 /nfs/dbraw/zinc/36/60/91/592366091.db2.gz NCQNEVQPAWPNDQ-VIFPVBQESA-N 1 2 238.291 0.648 20 0 BCADLO COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC000886852502 592367746 /nfs/dbraw/zinc/36/77/46/592367746.db2.gz MHFZOIGHEFJCCM-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC000886852502 592367748 /nfs/dbraw/zinc/36/77/48/592367748.db2.gz MHFZOIGHEFJCCM-VIFPVBQESA-N 1 2 239.275 0.913 20 0 BCADLO COC(=O)/C(C)=C\C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000221377170 592418652 /nfs/dbraw/zinc/41/86/52/592418652.db2.gz VUHXMHSKLHRUET-BNTAEACNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000221377170 592418656 /nfs/dbraw/zinc/41/86/56/592418656.db2.gz VUHXMHSKLHRUET-BNTAEACNSA-N 1 2 225.288 0.969 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](O)C(C)C ZINC000887077838 592435312 /nfs/dbraw/zinc/43/53/12/592435312.db2.gz WCLUQBOBWGVNEM-VHSXEESVSA-N 1 2 247.360 0.594 20 0 BCADLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](O)C(C)C ZINC000887077838 592435316 /nfs/dbraw/zinc/43/53/16/592435316.db2.gz WCLUQBOBWGVNEM-VHSXEESVSA-N 1 2 247.360 0.594 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)OC ZINC000887075929 592435889 /nfs/dbraw/zinc/43/58/89/592435889.db2.gz RTOMQWAYWVNGOQ-RKDXNWHRSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)OC ZINC000887075929 592435891 /nfs/dbraw/zinc/43/58/91/592435891.db2.gz RTOMQWAYWVNGOQ-RKDXNWHRSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)OC ZINC000887075927 592436034 /nfs/dbraw/zinc/43/60/34/592436034.db2.gz RTOMQWAYWVNGOQ-DTWKUNHWSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)OC ZINC000887075927 592436037 /nfs/dbraw/zinc/43/60/37/592436037.db2.gz RTOMQWAYWVNGOQ-DTWKUNHWSA-N 1 2 233.333 0.612 20 0 BCADLO COC(=O)[C@H]1CSCCN1Cc1c[nH+]c[nH]1 ZINC000887076148 592436153 /nfs/dbraw/zinc/43/61/53/592436153.db2.gz YJXWHWHJXQKOSV-SECBINFHSA-N 1 2 241.316 0.500 20 0 BCADLO COC(=O)[C@H]1CSCCN1Cc1c[nH]c[nH+]1 ZINC000887076148 592436156 /nfs/dbraw/zinc/43/61/56/592436156.db2.gz YJXWHWHJXQKOSV-SECBINFHSA-N 1 2 241.316 0.500 20 0 BCADLO CC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074539 592436168 /nfs/dbraw/zinc/43/61/68/592436168.db2.gz YNBFLFYDFHJUOG-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074539 592436170 /nfs/dbraw/zinc/43/61/70/592436170.db2.gz YNBFLFYDFHJUOG-RKDXNWHRSA-N 1 2 233.333 0.348 20 0 BCADLO CCn1cc(C[NH+]2CCC(C)(O)CC2)nn1 ZINC000887131426 592448948 /nfs/dbraw/zinc/44/89/48/592448948.db2.gz XFYCHKJGEOHSCF-UHFFFAOYSA-N 1 2 224.308 0.645 20 0 BCADLO O=c1[nH]nc(C[NH2+]C2(C3CC3)CCC2)[nH]1 ZINC000887147256 592460865 /nfs/dbraw/zinc/46/08/65/592460865.db2.gz FKESKGLFXHANBI-UHFFFAOYSA-N 1 2 208.265 0.933 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000140465045 592471287 /nfs/dbraw/zinc/47/12/87/592471287.db2.gz REGHHZLHCWCQCD-UHFFFAOYSA-N 1 2 221.260 0.215 20 0 BCADLO CN1C(=O)C2(CCOCC2)[NH2+][C@@H]1C1CC1 ZINC000887336038 592482308 /nfs/dbraw/zinc/48/23/08/592482308.db2.gz SVKFEIYOFJYRRL-VIFPVBQESA-N 1 2 210.277 0.333 20 0 BCADLO CCn1cc(C[N@@H+]2CCOC[C@H](C)C2)nn1 ZINC000887546139 592522715 /nfs/dbraw/zinc/52/27/15/592522715.db2.gz CMWICVKGDSPSRI-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1cc(C[N@H+]2CCOC[C@H](C)C2)nn1 ZINC000887546139 592522716 /nfs/dbraw/zinc/52/27/16/592522716.db2.gz CMWICVKGDSPSRI-SNVBAGLBSA-N 1 2 224.308 0.766 20 0 BCADLO CCn1cc(C[N@@H+]2CCOCC[C@@H]2C)nn1 ZINC000887552666 592524455 /nfs/dbraw/zinc/52/44/55/592524455.db2.gz KMRCRGLKEFGITD-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO CCn1cc(C[N@H+]2CCOCC[C@@H]2C)nn1 ZINC000887552666 592524456 /nfs/dbraw/zinc/52/44/56/592524456.db2.gz KMRCRGLKEFGITD-JTQLQIEISA-N 1 2 224.308 0.909 20 0 BCADLO C[C@H]1CO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000887718191 592545147 /nfs/dbraw/zinc/54/51/47/592545147.db2.gz UQFOMMRRHBWOMG-NXEZZACHSA-N 1 2 223.276 0.424 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000888056890 592569645 /nfs/dbraw/zinc/56/96/45/592569645.db2.gz YAHCHRJEBBVQMC-VIFPVBQESA-N 1 2 237.259 0.047 20 0 BCADLO COC(=O)[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000888066755 592572498 /nfs/dbraw/zinc/57/24/98/592572498.db2.gz PWBPGKWBNPCAGD-VIFPVBQESA-N 1 2 237.259 0.035 20 0 BCADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]1CO ZINC000889136780 592584345 /nfs/dbraw/zinc/58/43/45/592584345.db2.gz OMQUCFVVFAZXPM-UWVGGRQHSA-N 1 2 235.287 0.039 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC1CC(CCO)C1 ZINC000889987302 592667832 /nfs/dbraw/zinc/66/78/32/592667832.db2.gz HJTRQPIFPZJTKO-UHFFFAOYSA-N 1 2 249.314 0.771 20 0 BCADLO COC/C(C)=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890104677 592674579 /nfs/dbraw/zinc/67/45/79/592674579.db2.gz OUUWAHLUWICMBT-RUDMXATFSA-N 1 2 223.276 0.629 20 0 BCADLO CCOC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890100208 592678972 /nfs/dbraw/zinc/67/89/72/592678972.db2.gz RGBOUKSFAQFFLD-UHFFFAOYSA-N 1 2 225.292 0.851 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100193 592679416 /nfs/dbraw/zinc/67/94/16/592679416.db2.gz QYERGGPBGBYSCX-MNOVXSKESA-N 1 2 237.303 0.851 20 0 BCADLO C[C@@H]1C[C@@H](C(=O)NCc2cn(C)c[nH+]2)[C@@H](C)O1 ZINC000890102877 592679940 /nfs/dbraw/zinc/67/99/40/592679940.db2.gz BZYKQCAMOWQRGZ-FXPVBKGRSA-N 1 2 237.303 0.850 20 0 BCADLO CCn1cc(C(=O)NCc2cn(C)c[nH+]2)c(C)n1 ZINC000890103667 592680106 /nfs/dbraw/zinc/68/01/06/592680106.db2.gz OHASQXLTIDSEAM-UHFFFAOYSA-N 1 2 247.302 0.875 20 0 BCADLO CC[C@H](CO)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104391 592680670 /nfs/dbraw/zinc/68/06/70/592680670.db2.gz KPLSYCSOHRNJSH-MRVPVSSYSA-N 1 2 211.265 0.055 20 0 BCADLO CCn1ccc(CC(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890105180 592681145 /nfs/dbraw/zinc/68/11/45/592681145.db2.gz YFFHGNKTJDKWCX-UHFFFAOYSA-N 1 2 247.302 0.495 20 0 BCADLO CCOCC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890107220 592681717 /nfs/dbraw/zinc/68/17/17/592681717.db2.gz JZIBVALHSXAEBV-UHFFFAOYSA-N 1 2 237.303 0.853 20 0 BCADLO CCc1nc[nH]c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105048 592682003 /nfs/dbraw/zinc/68/20/03/592682003.db2.gz VNWSQULTRBZZCT-UHFFFAOYSA-N 1 2 233.275 0.636 20 0 BCADLO Cc1cnc(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890107858 592682479 /nfs/dbraw/zinc/68/24/79/592682479.db2.gz SEUSZQAQIINKMF-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CCn2cccc2)c1 ZINC000890109467 592683413 /nfs/dbraw/zinc/68/34/13/592683413.db2.gz BYBJYUXIIXZHLR-UHFFFAOYSA-N 1 2 232.287 0.928 20 0 BCADLO COC[C@H](C)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107739 592683556 /nfs/dbraw/zinc/68/35/56/592683556.db2.gz PQDAUXVDEHIEPM-UWVGGRQHSA-N 1 2 239.319 0.955 20 0 BCADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCOC2)c1 ZINC000890113696 592684187 /nfs/dbraw/zinc/68/41/87/592684187.db2.gz LXFUTOAMSOVZMU-SECBINFHSA-N 1 2 223.276 0.463 20 0 BCADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)no1 ZINC000890119559 592685347 /nfs/dbraw/zinc/68/53/47/592685347.db2.gz INFNKARIVKYIBR-UHFFFAOYSA-N 1 2 220.232 0.647 20 0 BCADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117467 592685547 /nfs/dbraw/zinc/68/55/47/592685547.db2.gz ROKQLYKQXWKKGC-VHSXEESVSA-N 1 2 223.276 0.461 20 0 BCADLO Cn1c[nH+]c(CNC(=O)COC2CCCC2)c1 ZINC000890116709 592685721 /nfs/dbraw/zinc/68/57/21/592685721.db2.gz BMYUXNJSROJUTP-UHFFFAOYSA-N 1 2 237.303 0.996 20 0 BCADLO Cn1c[nH+]c(CNC(=O)CC(F)(F)F)c1 ZINC000890114471 592685800 /nfs/dbraw/zinc/68/58/00/592685800.db2.gz MCFPYICNDGRDDY-UHFFFAOYSA-N 1 2 221.182 0.989 20 0 BCADLO Cn1c[nH+]c(CNC(=O)c2csnn2)c1 ZINC000890117820 592685956 /nfs/dbraw/zinc/68/59/56/592685956.db2.gz ZMTMCGTUSLWNRA-UHFFFAOYSA-N 1 2 223.261 0.202 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229933385 597241773 /nfs/dbraw/zinc/24/17/73/597241773.db2.gz SZJYDMJYCSXKME-DTWKUNHWSA-N 1 2 212.293 0.676 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229933385 597241776 /nfs/dbraw/zinc/24/17/76/597241776.db2.gz SZJYDMJYCSXKME-DTWKUNHWSA-N 1 2 212.293 0.676 20 0 BCADLO COC(C)(C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000928600345 636176705 /nfs/dbraw/zinc/17/67/05/636176705.db2.gz RTZQETBCDPWZEE-QMMMGPOBSA-N 1 2 225.292 0.882 20 0 BCADLO O=C([O-])C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000380100561 601007028 /nfs/dbraw/zinc/00/70/28/601007028.db2.gz LPTQKRRCKBQUKI-QMMMGPOBSA-N 1 2 209.249 0.674 20 0 BCADLO O=C([O-])C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000380100561 601007030 /nfs/dbraw/zinc/00/70/30/601007030.db2.gz LPTQKRRCKBQUKI-QMMMGPOBSA-N 1 2 209.249 0.674 20 0 BCADLO O=C([O-])C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000308821695 601325800 /nfs/dbraw/zinc/32/58/00/601325800.db2.gz CGBSFISXXOXXRV-UHFFFAOYSA-N 1 2 209.249 0.674 20 0 BCADLO CCCS(=O)(=O)CC[N@H+](C)C1CC1 ZINC000193720885 634379464 /nfs/dbraw/zinc/37/94/64/634379464.db2.gz MGDBVUDGIRXDFQ-UHFFFAOYSA-N 1 2 205.323 0.905 20 0 BCADLO CCCS(=O)(=O)CC[N@@H+](C)C1CC1 ZINC000193720885 634379468 /nfs/dbraw/zinc/37/94/68/634379468.db2.gz MGDBVUDGIRXDFQ-UHFFFAOYSA-N 1 2 205.323 0.905 20 0 BCADLO Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)c1 ZINC000058022113 604391730 /nfs/dbraw/zinc/39/17/30/604391730.db2.gz XNYYUBXXUQRVNY-NSHDSACASA-N 1 2 249.314 0.985 20 0 BCADLO C[C@H]1C[N@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000299901149 634400672 /nfs/dbraw/zinc/40/06/72/634400672.db2.gz ASXKDGFBANCMBU-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO C[C@H]1C[N@@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000299901149 634400674 /nfs/dbraw/zinc/40/06/74/634400674.db2.gz ASXKDGFBANCMBU-GXSJLCMTSA-N 1 2 211.261 0.861 20 0 BCADLO CCCCOC(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313685357 634510701 /nfs/dbraw/zinc/51/07/01/634510701.db2.gz SUHFCDORPLNVIT-LBPRGKRZSA-N 1 2 245.319 0.149 20 0 BCADLO CCCCOC(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313685357 634510705 /nfs/dbraw/zinc/51/07/05/634510705.db2.gz SUHFCDORPLNVIT-LBPRGKRZSA-N 1 2 245.319 0.149 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C1CCC1 ZINC000909393014 634603802 /nfs/dbraw/zinc/60/38/02/634603802.db2.gz QZWWAODLAHNWND-SNVBAGLBSA-N 1 2 223.276 0.229 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1CCCCO1 ZINC000125960198 635350769 /nfs/dbraw/zinc/35/07/69/635350769.db2.gz ZCRIECRMVVYIOA-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCCCO1 ZINC000125960198 635350773 /nfs/dbraw/zinc/35/07/73/635350773.db2.gz ZCRIECRMVVYIOA-SNVBAGLBSA-N 1 2 235.349 0.532 20 0 BCADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1cnon1 ZINC001028215594 635491347 /nfs/dbraw/zinc/49/13/47/635491347.db2.gz USCSQVZVERNUMQ-MRVPVSSYSA-N 1 2 242.254 0.233 20 0 BCADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1cnon1 ZINC001028215594 635491351 /nfs/dbraw/zinc/49/13/51/635491351.db2.gz USCSQVZVERNUMQ-MRVPVSSYSA-N 1 2 242.254 0.233 20 0 BCADLO CCCNc1cc(N[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000229378130 635468414 /nfs/dbraw/zinc/46/84/14/635468414.db2.gz PAYQZCRARTWASM-MRVPVSSYSA-N 1 2 235.291 0.599 20 0 BCADLO CCCNc1cc(N[C@H]2CNC(=O)C2)[nH+]cn1 ZINC000229378130 635468424 /nfs/dbraw/zinc/46/84/24/635468424.db2.gz PAYQZCRARTWASM-MRVPVSSYSA-N 1 2 235.291 0.599 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308369944 631306740 /nfs/dbraw/zinc/30/67/40/631306740.db2.gz ARXGANGOZFPEQP-CBAPKCEASA-N 1 2 205.261 0.936 20 0 BCADLO Cc1cnnc(NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000234319251 631306935 /nfs/dbraw/zinc/30/69/35/631306935.db2.gz KAVBYYCPKSURFF-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Cc1cnnc(NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000234319251 631306940 /nfs/dbraw/zinc/30/69/40/631306940.db2.gz KAVBYYCPKSURFF-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BCADLO Nc1ccc(CNC(=O)C[C@@H]2CCCO2)c[nH+]1 ZINC000308392100 631310157 /nfs/dbraw/zinc/31/01/57/631310157.db2.gz NPTKRJKUWPIFML-JTQLQIEISA-N 1 2 235.287 0.849 20 0 BCADLO Nc1ccc(CNC(=O)[C@@H]2CCCCO2)c[nH+]1 ZINC000308392512 631310873 /nfs/dbraw/zinc/31/08/73/631310873.db2.gz PDNYWWKIFXGWSX-JTQLQIEISA-N 1 2 235.287 0.849 20 0 BCADLO C[C@@]1(C(=O)NCc2ccc(N)[nH+]c2)CCCO1 ZINC000308377745 631314132 /nfs/dbraw/zinc/31/41/32/631314132.db2.gz CBGZFLDIEVJKTB-LBPRGKRZSA-N 1 2 235.287 0.849 20 0 BCADLO C[C@]1(C(=O)NCc2ccc(N)[nH+]c2)CCCO1 ZINC000308377744 631314659 /nfs/dbraw/zinc/31/46/59/631314659.db2.gz CBGZFLDIEVJKTB-GFCCVEGCSA-N 1 2 235.287 0.849 20 0 BCADLO COC[C@H]([NH2+][C@H]1CCOC1=O)C(C)C ZINC000308626592 631344238 /nfs/dbraw/zinc/34/42/38/631344238.db2.gz WWISQPQVMQGYDZ-IUCAKERBSA-N 1 2 201.266 0.563 20 0 BCADLO COC[C@@H]([NH2+][C@@H]1CCOC1=O)C(C)C ZINC000308626593 631344809 /nfs/dbraw/zinc/34/48/09/631344809.db2.gz WWISQPQVMQGYDZ-RKDXNWHRSA-N 1 2 201.266 0.563 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393594 631357399 /nfs/dbraw/zinc/35/73/99/631357399.db2.gz BMRQKJQBXPRYCY-SECBINFHSA-N 1 2 237.303 0.696 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933393594 631357403 /nfs/dbraw/zinc/35/74/03/631357403.db2.gz BMRQKJQBXPRYCY-SECBINFHSA-N 1 2 237.303 0.696 20 0 BCADLO C[C@@H]1CO[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000891514435 631382687 /nfs/dbraw/zinc/38/26/87/631382687.db2.gz ROXSAFBTJFHFHJ-GXSJLCMTSA-N 1 2 237.303 0.504 20 0 BCADLO COC[C@H](C)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536243 631398373 /nfs/dbraw/zinc/39/83/73/631398373.db2.gz WSRGFASBMBLLMA-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@H](C)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536243 631398378 /nfs/dbraw/zinc/39/83/78/631398378.db2.gz WSRGFASBMBLLMA-JQWIXIFHSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933536252 631399188 /nfs/dbraw/zinc/39/91/88/631399188.db2.gz WSRGFASBMBLLMA-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933536252 631399194 /nfs/dbraw/zinc/39/91/94/631399194.db2.gz WSRGFASBMBLLMA-ZYHUDNBSSA-N 1 2 239.319 0.828 20 0 BCADLO COC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000308598263 631435788 /nfs/dbraw/zinc/43/57/88/631435788.db2.gz NLSZQQBQCHNSKT-CBAPKCEASA-N 1 2 201.266 0.299 20 0 BCADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CC)CO ZINC000308620987 631447385 /nfs/dbraw/zinc/44/73/85/631447385.db2.gz TWHYTBROJCDSFM-DTWKUNHWSA-N 1 2 203.282 0.689 20 0 BCADLO CNc1cc(NC[C@@H]2COCCO2)[nH+]cn1 ZINC000087820544 631481807 /nfs/dbraw/zinc/48/18/07/631481807.db2.gz REYWXCTTZJQZHB-MRVPVSSYSA-N 1 2 224.264 0.346 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000087823062 631483645 /nfs/dbraw/zinc/48/36/45/631483645.db2.gz LZRLHSCMNKEAQD-SSDOTTSWSA-N 1 2 223.280 0.455 20 0 BCADLO CCNC(=O)[C@@H](C)Nc1cc(NC)nc[nH+]1 ZINC000087823062 631483648 /nfs/dbraw/zinc/48/36/48/631483648.db2.gz LZRLHSCMNKEAQD-SSDOTTSWSA-N 1 2 223.280 0.455 20 0 BCADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000926270012 631529599 /nfs/dbraw/zinc/52/95/99/631529599.db2.gz ABCASJMUKNDZKQ-SVRRBLITSA-N 1 2 226.280 0.505 20 0 BCADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@H]1CO ZINC000934012568 631589238 /nfs/dbraw/zinc/58/92/38/631589238.db2.gz ABPIEDMBPRGEFS-YUMQZZPRSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@H]1CO ZINC000934012568 631589249 /nfs/dbraw/zinc/58/92/49/631589249.db2.gz ABPIEDMBPRGEFS-YUMQZZPRSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H]2CO)n1 ZINC000934012892 631591139 /nfs/dbraw/zinc/59/11/39/631591139.db2.gz FFRIINKIUNGIOT-RKDXNWHRSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@H]2CO)n1 ZINC000934012892 631591144 /nfs/dbraw/zinc/59/11/44/631591144.db2.gz FFRIINKIUNGIOT-RKDXNWHRSA-N 1 2 223.276 0.618 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@@H+]1CC[C@H]1CO ZINC000934012567 631592287 /nfs/dbraw/zinc/59/22/87/631592287.db2.gz ABPIEDMBPRGEFS-SFYZADRCSA-N 1 2 213.306 0.974 20 0 BCADLO Cc1nnsc1[C@@H](C)[N@H+]1CC[C@H]1CO ZINC000934012567 631592296 /nfs/dbraw/zinc/59/22/96/631592296.db2.gz ABPIEDMBPRGEFS-SFYZADRCSA-N 1 2 213.306 0.974 20 0 BCADLO O=C(C[N@H+]1CC[C@H]1CO)Nc1ccccc1 ZINC000934026703 631604399 /nfs/dbraw/zinc/60/43/99/631604399.db2.gz PPHDLKRODIGQBD-NSHDSACASA-N 1 2 220.272 0.692 20 0 BCADLO O=C(C[N@@H+]1CC[C@H]1CO)Nc1ccccc1 ZINC000934026703 631604405 /nfs/dbraw/zinc/60/44/05/631604405.db2.gz PPHDLKRODIGQBD-NSHDSACASA-N 1 2 220.272 0.692 20 0 BCADLO O=[S@@](CC[N@H+]1CC[C@@H]1CO)C(F)(F)F ZINC000934016090 631611625 /nfs/dbraw/zinc/61/16/25/631611625.db2.gz SBCSTXOGUUSWKN-RCNPXXIZSA-N 1 2 231.239 0.322 20 0 BCADLO O=[S@@](CC[N@@H+]1CC[C@@H]1CO)C(F)(F)F ZINC000934016090 631611630 /nfs/dbraw/zinc/61/16/30/631611630.db2.gz SBCSTXOGUUSWKN-RCNPXXIZSA-N 1 2 231.239 0.322 20 0 BCADLO COC(=O)[C@@H]([N@@H+]1CC[C@@H]1CO)C1(OC)CCC1 ZINC000934017780 631615171 /nfs/dbraw/zinc/61/51/71/631615171.db2.gz HPYOJTCIXSVRNP-NXEZZACHSA-N 1 2 243.303 0.164 20 0 BCADLO COC(=O)[C@@H]([N@H+]1CC[C@@H]1CO)C1(OC)CCC1 ZINC000934017780 631615176 /nfs/dbraw/zinc/61/51/76/631615176.db2.gz HPYOJTCIXSVRNP-NXEZZACHSA-N 1 2 243.303 0.164 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H]1CO ZINC000934023195 631620824 /nfs/dbraw/zinc/62/08/24/631620824.db2.gz CXEBRMFCJDMTFA-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H]1CO ZINC000934023195 631620828 /nfs/dbraw/zinc/62/08/28/631620828.db2.gz CXEBRMFCJDMTFA-RKDXNWHRSA-N 1 2 201.266 0.395 20 0 BCADLO O=C(C[N@H+]1CC[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000934021263 631621088 /nfs/dbraw/zinc/62/10/88/631621088.db2.gz MTACNIUMTWHDFL-LLVKDONJSA-N 1 2 238.331 0.358 20 0 BCADLO O=C(C[N@@H+]1CC[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000934021263 631621093 /nfs/dbraw/zinc/62/10/93/631621093.db2.gz MTACNIUMTWHDFL-LLVKDONJSA-N 1 2 238.331 0.358 20 0 BCADLO COc1nccc(C[N@@H+]2CC[C@@H]2CO)n1 ZINC000934020160 631621440 /nfs/dbraw/zinc/62/14/40/631621440.db2.gz XFNIRWDMRKFSPP-SECBINFHSA-N 1 2 209.249 0.052 20 0 BCADLO COc1nccc(C[N@H+]2CC[C@@H]2CO)n1 ZINC000934020160 631621446 /nfs/dbraw/zinc/62/14/46/631621446.db2.gz XFNIRWDMRKFSPP-SECBINFHSA-N 1 2 209.249 0.052 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]1CO ZINC000934023937 631623223 /nfs/dbraw/zinc/62/32/23/631623223.db2.gz NAXJFWKMEIGSAC-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]1CO ZINC000934023937 631623228 /nfs/dbraw/zinc/62/32/28/631623228.db2.gz NAXJFWKMEIGSAC-QMMMGPOBSA-N 1 2 229.711 0.949 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934023704 631623846 /nfs/dbraw/zinc/62/38/46/631623846.db2.gz UXAFXXBLZHRTFE-GHMZBOCLSA-N 1 2 220.272 0.280 20 0 BCADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934023704 631623853 /nfs/dbraw/zinc/62/38/53/631623853.db2.gz UXAFXXBLZHRTFE-GHMZBOCLSA-N 1 2 220.272 0.280 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001028363510 635663042 /nfs/dbraw/zinc/66/30/42/635663042.db2.gz STXLFMLKDJCNIQ-JTQLQIEISA-N 1 2 237.307 0.071 20 0 BCADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001028363510 635663045 /nfs/dbraw/zinc/66/30/45/635663045.db2.gz STXLFMLKDJCNIQ-JTQLQIEISA-N 1 2 237.307 0.071 20 0 BCADLO C[C@@H](CO)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000893724777 635626377 /nfs/dbraw/zinc/62/63/77/635626377.db2.gz AWROUVGVGRWMBI-QMMMGPOBSA-N 1 2 210.281 0.360 20 0 BCADLO C[C@@H](CO)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000893724777 635626384 /nfs/dbraw/zinc/62/63/84/635626384.db2.gz AWROUVGVGRWMBI-QMMMGPOBSA-N 1 2 210.281 0.360 20 0 BCADLO CCn1cc(C[N@H+](C)[C@H]2CC[C@@H]2OC)nn1 ZINC000934111526 631686158 /nfs/dbraw/zinc/68/61/58/631686158.db2.gz SKPNEEFUCHUDAB-QWRGUYRKSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)nn1 ZINC000934111526 631686162 /nfs/dbraw/zinc/68/61/62/631686162.db2.gz SKPNEEFUCHUDAB-QWRGUYRKSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1cc(C[N@H+](C)[C@@H]2CC[C@H]2OC)nn1 ZINC000934111523 631686363 /nfs/dbraw/zinc/68/63/63/631686363.db2.gz SKPNEEFUCHUDAB-GHMZBOCLSA-N 1 2 224.308 0.907 20 0 BCADLO CCn1cc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)nn1 ZINC000934111523 631686364 /nfs/dbraw/zinc/68/63/64/631686364.db2.gz SKPNEEFUCHUDAB-GHMZBOCLSA-N 1 2 224.308 0.907 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nccc(N)n1 ZINC000934114841 631692474 /nfs/dbraw/zinc/69/24/74/631692474.db2.gz WNDONBPVQSTJHE-DTWKUNHWSA-N 1 2 222.292 0.668 20 0 BCADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nccc(N)n1 ZINC000934114841 631692477 /nfs/dbraw/zinc/69/24/77/631692477.db2.gz WNDONBPVQSTJHE-DTWKUNHWSA-N 1 2 222.292 0.668 20 0 BCADLO COC(=O)[C@H]([NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000308964156 631771000 /nfs/dbraw/zinc/77/10/00/631771000.db2.gz UDBGZOYUYTVWTH-VHSXEESVSA-N 1 2 213.277 0.299 20 0 BCADLO Cc1cnnc(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892246031 631812166 /nfs/dbraw/zinc/81/21/66/631812166.db2.gz GUYGZQADPIUUBW-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO Cc1cnnc(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000892246031 631812171 /nfs/dbraw/zinc/81/21/71/631812171.db2.gz GUYGZQADPIUUBW-LLVKDONJSA-N 1 2 236.319 0.918 20 0 BCADLO CC[C@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934425741 631835221 /nfs/dbraw/zinc/83/52/21/631835221.db2.gz OXWIRKDPTHSDKQ-NSHDSACASA-N 1 2 225.292 0.804 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000934426607 631835460 /nfs/dbraw/zinc/83/54/60/631835460.db2.gz WXRHAXACQNBRDJ-UHFFFAOYSA-N 1 2 248.290 0.568 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426645 631835707 /nfs/dbraw/zinc/83/57/07/631835707.db2.gz XFHFAZZCHOFKKI-RKDXNWHRSA-N 1 2 223.276 0.678 20 0 BCADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000158255045 631843242 /nfs/dbraw/zinc/84/32/42/631843242.db2.gz ORURBTKFSJFDNZ-UWVGGRQHSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](O)C1 ZINC000158255045 631843246 /nfs/dbraw/zinc/84/32/46/631843246.db2.gz ORURBTKFSJFDNZ-UWVGGRQHSA-N 1 2 215.293 0.785 20 0 BCADLO CN1CCC[C@H]([N@@H+]2CC[C@H](O)[C@@H](F)C2)C1=O ZINC000934566105 631930919 /nfs/dbraw/zinc/93/09/19/631930919.db2.gz DSWSVPFPKSWICW-GUBZILKMSA-N 1 2 230.283 0.012 20 0 BCADLO CN1CCC[C@H]([N@H+]2CC[C@H](O)[C@@H](F)C2)C1=O ZINC000934566105 631930934 /nfs/dbraw/zinc/93/09/34/631930934.db2.gz DSWSVPFPKSWICW-GUBZILKMSA-N 1 2 230.283 0.012 20 0 BCADLO CCOC(C[N@@H+]1CC[C@@H](O)[C@H](F)C1)OCC ZINC000934568426 631937551 /nfs/dbraw/zinc/93/75/51/631937551.db2.gz WBRDZUGVUUXFGQ-NXEZZACHSA-N 1 2 235.299 0.790 20 0 BCADLO CCOC(C[N@H+]1CC[C@@H](O)[C@H](F)C1)OCC ZINC000934568426 631937553 /nfs/dbraw/zinc/93/75/53/631937553.db2.gz WBRDZUGVUUXFGQ-NXEZZACHSA-N 1 2 235.299 0.790 20 0 BCADLO CC(C)OC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934569179 631940813 /nfs/dbraw/zinc/94/08/13/631940813.db2.gz XNIKGGDQBBPBTG-NXEZZACHSA-N 1 2 233.283 0.733 20 0 BCADLO CC(C)OC(=O)CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934569179 631940816 /nfs/dbraw/zinc/94/08/16/631940816.db2.gz XNIKGGDQBBPBTG-NXEZZACHSA-N 1 2 233.283 0.733 20 0 BCADLO O=c1ccccn1CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934570614 631945652 /nfs/dbraw/zinc/94/56/52/631945652.db2.gz MASARLVOWZZSTO-QWRGUYRKSA-N 1 2 240.278 0.253 20 0 BCADLO O=c1ccccn1CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934570614 631945656 /nfs/dbraw/zinc/94/56/56/631945656.db2.gz MASARLVOWZZSTO-QWRGUYRKSA-N 1 2 240.278 0.253 20 0 BCADLO Cn1c[nH+]cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000934573375 631947308 /nfs/dbraw/zinc/94/73/08/631947308.db2.gz FKIGZGRKAIBNDU-ZJUUUORDSA-N 1 2 213.256 0.325 20 0 BCADLO Cc1ncsc1C[NH2+]Cc1cnn(C)n1 ZINC000309234254 631967591 /nfs/dbraw/zinc/96/75/91/631967591.db2.gz XIIATTKHAXTPHS-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1CCCO1 ZINC000052101808 632072292 /nfs/dbraw/zinc/07/22/92/632072292.db2.gz FBHMDNIDXKAGAK-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCCO1 ZINC000052101808 632072295 /nfs/dbraw/zinc/07/22/95/632072295.db2.gz FBHMDNIDXKAGAK-SECBINFHSA-N 1 2 221.322 0.142 20 0 BCADLO O[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892325193 632064021 /nfs/dbraw/zinc/06/40/21/632064021.db2.gz HRPKDEYGFQXAQJ-QMMMGPOBSA-N 1 2 204.233 0.300 20 0 BCADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@@H](C)O ZINC000934818287 632091925 /nfs/dbraw/zinc/09/19/25/632091925.db2.gz AQINHGQLSCIYFH-MRVPVSSYSA-N 1 2 203.282 0.687 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777831 635746810 /nfs/dbraw/zinc/74/68/10/635746810.db2.gz OLQSGOHOYUARJD-GGZOMVNGSA-N 1 2 249.314 0.951 20 0 BCADLO CC/C=C/CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000924904954 635760117 /nfs/dbraw/zinc/76/01/17/635760117.db2.gz AZFWDEFDUPSKPO-FSIBCCDJSA-N 1 2 248.286 0.839 20 0 BCADLO CC/C=C/CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000924904954 635760124 /nfs/dbraw/zinc/76/01/24/635760124.db2.gz AZFWDEFDUPSKPO-FSIBCCDJSA-N 1 2 248.286 0.839 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928053963 635807097 /nfs/dbraw/zinc/80/70/97/635807097.db2.gz ALUYGKRGLGLKCR-SKDRFNHKSA-N 1 2 235.287 0.636 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000308911781 632412150 /nfs/dbraw/zinc/41/21/50/632412150.db2.gz XGBOKCIHFSVJAO-AEJSXWLSSA-N 1 2 213.277 0.443 20 0 BCADLO Cn1cnc(/C=C\C(=O)OCCn2cc[nH+]c2)c1 ZINC000924492122 632445167 /nfs/dbraw/zinc/44/51/67/632445167.db2.gz BVPZXNPINYXKQP-IHWYPQMZSA-N 1 2 246.270 0.873 20 0 BCADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)n1 ZINC000926535416 632454072 /nfs/dbraw/zinc/45/40/72/632454072.db2.gz SZXZIVVQRZMFKL-SZEHBUNVSA-N 1 2 240.307 0.017 20 0 BCADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926547475 632476888 /nfs/dbraw/zinc/47/68/88/632476888.db2.gz GMTRJNPERUGKAC-JMJZKYOTSA-N 1 2 240.307 0.270 20 0 BCADLO Nc1ccc(CNC(=O)N2CCCC2)c[nH+]1 ZINC000309653078 632616283 /nfs/dbraw/zinc/61/62/83/632616283.db2.gz YJCGHCFJIFORME-UHFFFAOYSA-N 1 2 220.276 0.969 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1[nH]ncc1C ZINC000309066663 632632485 /nfs/dbraw/zinc/63/24/85/632632485.db2.gz ZUKGOLHIAADYGM-UHFFFAOYSA-N 1 2 231.321 0.242 20 0 BCADLO CCS(=O)(=O)CC[NH2+]Cc1n[nH]cc1C ZINC000309066663 632632493 /nfs/dbraw/zinc/63/24/93/632632493.db2.gz ZUKGOLHIAADYGM-UHFFFAOYSA-N 1 2 231.321 0.242 20 0 BCADLO CC[C@H]([NH2+]CCS(C)(=O)=O)c1nccn1C ZINC000309727326 632661460 /nfs/dbraw/zinc/66/14/60/632661460.db2.gz YKRSWXYEDFJDJO-VIFPVBQESA-N 1 2 245.348 0.505 20 0 BCADLO CC[C@H](C)[C@H]([NH2+]Cc1ccon1)C(N)=O ZINC000309174640 632661862 /nfs/dbraw/zinc/66/18/62/632661862.db2.gz MFQWNGKSQAEGCJ-CBAPKCEASA-N 1 2 211.265 0.664 20 0 BCADLO COC/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000309241589 632835712 /nfs/dbraw/zinc/83/57/12/632835712.db2.gz AWQDJQYMOYZSGQ-IHWYPQMZSA-N 1 2 222.244 0.910 20 0 BCADLO Cc1nc(NC[C@H](O)c2ccccc2)nc(N)[nH+]1 ZINC000310648736 632839779 /nfs/dbraw/zinc/83/97/79/632839779.db2.gz XKCUGRHYNLNWPW-JTQLQIEISA-N 1 2 245.286 0.908 20 0 BCADLO Cc1nc(N)nc(NC[C@H](O)c2ccccc2)[nH+]1 ZINC000310648736 632839780 /nfs/dbraw/zinc/83/97/80/632839780.db2.gz XKCUGRHYNLNWPW-JTQLQIEISA-N 1 2 245.286 0.908 20 0 BCADLO O=C(Nc1cn[nH]n1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000935597393 632853471 /nfs/dbraw/zinc/85/34/71/632853471.db2.gz KEXHAURWTQSWEL-SSDOTTSWSA-N 1 2 232.247 0.202 20 0 BCADLO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1c[nH]nn1)CC2 ZINC000935598364 632854687 /nfs/dbraw/zinc/85/46/87/632854687.db2.gz YFZJWTZBTZGVAI-QMMMGPOBSA-N 1 2 246.274 0.511 20 0 BCADLO CCOC(C[N@@H+]1CCOC[C@H]1CO)OCC ZINC000159124178 632951688 /nfs/dbraw/zinc/95/16/88/632951688.db2.gz GUBKAXXRPGLCNG-SNVBAGLBSA-N 1 2 233.308 0.079 20 0 BCADLO CCOC(C[N@H+]1CCOC[C@H]1CO)OCC ZINC000159124178 632951694 /nfs/dbraw/zinc/95/16/94/632951694.db2.gz GUBKAXXRPGLCNG-SNVBAGLBSA-N 1 2 233.308 0.079 20 0 BCADLO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ncco1 ZINC000926774330 633032034 /nfs/dbraw/zinc/03/20/34/633032034.db2.gz LVFKXDFJMSABKU-ZJUUUORDSA-N 1 2 225.292 0.392 20 0 BCADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000309447919 633082372 /nfs/dbraw/zinc/08/23/72/633082372.db2.gz LTWYPBOEGQAJJU-WCBMZHEXSA-N 1 2 225.292 0.784 20 0 BCADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCO1)C2 ZINC000166041814 633106239 /nfs/dbraw/zinc/10/62/39/633106239.db2.gz DFJBVSRUDQIHCQ-SECBINFHSA-N 1 2 235.287 0.987 20 0 BCADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCO1)CC2 ZINC000166041814 633106244 /nfs/dbraw/zinc/10/62/44/633106244.db2.gz DFJBVSRUDQIHCQ-SECBINFHSA-N 1 2 235.287 0.987 20 0 BCADLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000894738484 635920118 /nfs/dbraw/zinc/92/01/18/635920118.db2.gz QYXREGUPRCWVRX-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO Cc1cc(F)ncc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000894738484 635920124 /nfs/dbraw/zinc/92/01/24/635920124.db2.gz QYXREGUPRCWVRX-SNVBAGLBSA-N 1 2 237.278 0.979 20 0 BCADLO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000928553537 636088764 /nfs/dbraw/zinc/08/87/64/636088764.db2.gz FZULHKGXDUKDBG-DTWKUNHWSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000928553537 636088770 /nfs/dbraw/zinc/08/87/70/636088770.db2.gz FZULHKGXDUKDBG-DTWKUNHWSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000928553544 636089254 /nfs/dbraw/zinc/08/92/54/636089254.db2.gz FZULHKGXDUKDBG-RKDXNWHRSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000928553544 636089255 /nfs/dbraw/zinc/08/92/55/636089255.db2.gz FZULHKGXDUKDBG-RKDXNWHRSA-N 1 2 249.318 0.045 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(O)c(F)c1 ZINC000928560702 636105965 /nfs/dbraw/zinc/10/59/65/636105965.db2.gz SQCKZBPNRISGOZ-SECBINFHSA-N 1 2 238.262 0.965 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(O)c(F)c1 ZINC000928560702 636105970 /nfs/dbraw/zinc/10/59/70/636105970.db2.gz SQCKZBPNRISGOZ-SECBINFHSA-N 1 2 238.262 0.965 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cc[nH]c(=O)c2)nn1 ZINC000895389148 636141278 /nfs/dbraw/zinc/14/12/78/636141278.db2.gz TXOAYBBCRRUKOT-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cc[nH]c(=O)c2)nn1 ZINC000895389148 636141279 /nfs/dbraw/zinc/14/12/79/636141279.db2.gz TXOAYBBCRRUKOT-UHFFFAOYSA-N 1 2 233.275 0.548 20 0 BCADLO CNc1cc(N2CCN(C(C)=O)C[C@H]2C)nc[nH+]1 ZINC000892936788 633739290 /nfs/dbraw/zinc/73/92/90/633739290.db2.gz RGGRMHQQAUVZSW-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO CNc1cc(N2CCN(C(C)=O)C[C@H]2C)[nH+]cn1 ZINC000892936788 633739303 /nfs/dbraw/zinc/73/93/03/633739303.db2.gz RGGRMHQQAUVZSW-SECBINFHSA-N 1 2 249.318 0.575 20 0 BCADLO COCC[N@H+](CCF)CCNC(=O)NC(C)C ZINC000852480267 633751050 /nfs/dbraw/zinc/75/10/50/633751050.db2.gz SXCNMKOEFOLCFX-UHFFFAOYSA-N 1 2 249.330 0.612 20 0 BCADLO COCC[N@@H+](CCF)CCNC(=O)NC(C)C ZINC000852480267 633751058 /nfs/dbraw/zinc/75/10/58/633751058.db2.gz SXCNMKOEFOLCFX-UHFFFAOYSA-N 1 2 249.330 0.612 20 0 BCADLO CC[C@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000308626268 633778853 /nfs/dbraw/zinc/77/88/53/633778853.db2.gz WNTCOTNJWNECFY-WPRPVWTQSA-N 1 2 203.282 0.689 20 0 BCADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](CO)C1CC1 ZINC000309951223 633974411 /nfs/dbraw/zinc/97/44/11/633974411.db2.gz GFLKMVZUVHNWBZ-WDEREUQCSA-N 1 2 229.320 0.935 20 0 BCADLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCN1C ZINC000309744429 633999981 /nfs/dbraw/zinc/99/99/81/633999981.db2.gz IRDXLSPGAXGBFF-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCN1C ZINC000309744429 633999994 /nfs/dbraw/zinc/99/99/94/633999994.db2.gz IRDXLSPGAXGBFF-IUCAKERBSA-N 1 2 240.269 0.936 20 0 BCADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000309906464 634041297 /nfs/dbraw/zinc/04/12/97/634041297.db2.gz KKIMCSUAQFCZMX-VIFPVBQESA-N 1 2 224.308 0.929 20 0 BCADLO CON(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192378054 634232967 /nfs/dbraw/zinc/23/29/67/634232967.db2.gz IKJRKQUWTBGXQN-VHSXEESVSA-N 1 2 245.323 0.298 20 0 BCADLO CO[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980784758 635274113 /nfs/dbraw/zinc/27/41/13/635274113.db2.gz AWLYXEGVYQGDRR-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO CO[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980784758 635274116 /nfs/dbraw/zinc/27/41/16/635274116.db2.gz AWLYXEGVYQGDRR-SNVBAGLBSA-N 1 2 232.299 0.525 20 0 BCADLO c1cc2c(cn1)C[N@H+](C[C@@H]1COCCO1)C2 ZINC000857882128 635496380 /nfs/dbraw/zinc/49/63/80/635496380.db2.gz NJPSLMZZLUXBSQ-GFCCVEGCSA-N 1 2 220.272 0.813 20 0 BCADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1COCCO1)C2 ZINC000857882128 635496387 /nfs/dbraw/zinc/49/63/87/635496387.db2.gz NJPSLMZZLUXBSQ-GFCCVEGCSA-N 1 2 220.272 0.813 20 0 BCADLO CN(C)c1cc(NC[C@H]2CCCNC2=O)[nH+]cn1 ZINC000894171777 635738180 /nfs/dbraw/zinc/73/81/80/635738180.db2.gz MZZRIJBCBZBTKT-SECBINFHSA-N 1 2 249.318 0.481 20 0 BCADLO CN(C)c1cc(NC[C@H]2CCCNC2=O)nc[nH+]1 ZINC000894171777 635738189 /nfs/dbraw/zinc/73/81/89/635738189.db2.gz MZZRIJBCBZBTKT-SECBINFHSA-N 1 2 249.318 0.481 20 0 BCADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ncnn21 ZINC000924898878 635754875 /nfs/dbraw/zinc/75/48/75/635754875.db2.gz ZPGZHWHBIFZBRH-HRDYMLBCSA-N 1 2 235.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000894223872 635756667 /nfs/dbraw/zinc/75/66/67/635756667.db2.gz QLZPIDDEMWSPKO-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO CNc1cc(N2CCO[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000894223872 635756674 /nfs/dbraw/zinc/75/66/74/635756674.db2.gz QLZPIDDEMWSPKO-RKDXNWHRSA-N 1 2 238.291 0.104 20 0 BCADLO C[C@H](O)[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000894225272 635757221 /nfs/dbraw/zinc/75/72/21/635757221.db2.gz XANCSUNRLOTYGP-GXSJLCMTSA-N 1 2 248.286 0.315 20 0 BCADLO Cc1[nH]c(CNC(=O)COCC(F)F)[nH+]c1C ZINC000896907558 636251310 /nfs/dbraw/zinc/25/13/10/636251310.db2.gz OQIIDJCBXNYQBM-UHFFFAOYSA-N 1 2 247.245 0.924 20 0 BCADLO CSCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000179054527 636256382 /nfs/dbraw/zinc/25/63/82/636256382.db2.gz BWUWMGBVNIXNTJ-UHFFFAOYSA-N 1 2 237.390 0.858 20 0 BCADLO CSCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000179054527 636256387 /nfs/dbraw/zinc/25/63/87/636256387.db2.gz BWUWMGBVNIXNTJ-UHFFFAOYSA-N 1 2 237.390 0.858 20 0 BCADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cnn(C)n1 ZINC000925212061 636391941 /nfs/dbraw/zinc/39/19/41/636391941.db2.gz DQHLWGGTVWUTQP-BDAKNGLRSA-N 1 2 237.307 0.087 20 0 BCADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cnn(C)n1 ZINC000925212066 636391991 /nfs/dbraw/zinc/39/19/91/636391991.db2.gz DQHLWGGTVWUTQP-RKDXNWHRSA-N 1 2 237.307 0.087 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC000985852117 636424369 /nfs/dbraw/zinc/42/43/69/636424369.db2.gz BIXLLJYKJLLMPD-XVKPBYJWSA-N 1 2 240.332 0.637 20 0 BCADLO C[C@H]1COC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000928895972 636469080 /nfs/dbraw/zinc/46/90/80/636469080.db2.gz RAEKSRVLAVMVDY-QWRGUYRKSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000928895974 636470670 /nfs/dbraw/zinc/47/06/70/636470670.db2.gz RAEKSRVLAVMVDY-WDEREUQCSA-N 1 2 237.303 0.814 20 0 BCADLO C[C@H](CC(=O)N[C@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000928915649 636510232 /nfs/dbraw/zinc/51/02/32/636510232.db2.gz JXFMBEDJUFPKAD-MXWKQRLJSA-N 1 2 237.303 0.985 20 0 BCADLO C[C@H](CC(=O)N[C@@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000928915646 636511118 /nfs/dbraw/zinc/51/11/18/636511118.db2.gz JXFMBEDJUFPKAD-GMTAPVOTSA-N 1 2 237.303 0.985 20 0 BCADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COC[C@@H]1C ZINC000928917076 636512437 /nfs/dbraw/zinc/51/24/37/636512437.db2.gz HRTMCLSEQCBDFE-YWVKMMECSA-N 1 2 237.303 0.739 20 0 BCADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COC[C@@H]1C ZINC000928917076 636512442 /nfs/dbraw/zinc/51/24/42/636512442.db2.gz HRTMCLSEQCBDFE-YWVKMMECSA-N 1 2 237.303 0.739 20 0 BCADLO CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C[C@H]1C ZINC000987633363 636657204 /nfs/dbraw/zinc/65/72/04/636657204.db2.gz QFIVYIHUXTVQCE-APPZFPTMSA-N 1 2 240.332 0.637 20 0 BCADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]1CO ZINC000889165041 636876670 /nfs/dbraw/zinc/87/66/70/636876670.db2.gz QUJKLNTYPILBIG-SECBINFHSA-N 1 2 231.255 0.770 20 0 BCADLO CCC1(C(=O)N[C@H](CO)c2c[nH+]cn2C)CC1 ZINC000898886957 637061557 /nfs/dbraw/zinc/06/15/57/637061557.db2.gz HIDNGTCKVFWKPG-SECBINFHSA-N 1 2 237.303 0.760 20 0 BCADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1ccco1 ZINC000898887026 637061800 /nfs/dbraw/zinc/06/18/00/637061800.db2.gz IWAFTQGCPWZKAP-SNVBAGLBSA-N 1 2 249.270 0.405 20 0 BCADLO CCC1(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC1 ZINC000898886958 637061840 /nfs/dbraw/zinc/06/18/40/637061840.db2.gz HIDNGTCKVFWKPG-VIFPVBQESA-N 1 2 237.303 0.760 20 0 BCADLO C[C@H]1C[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898888560 637061919 /nfs/dbraw/zinc/06/19/19/637061919.db2.gz KBRACGMWITZYRI-CIUDSAMLSA-N 1 2 223.276 0.226 20 0 BCADLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)co1 ZINC000898887602 637062122 /nfs/dbraw/zinc/06/21/22/637062122.db2.gz CXIPRAALGHOHHJ-SNVBAGLBSA-N 1 2 249.270 0.785 20 0 BCADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC12CCC2 ZINC000898888933 637063717 /nfs/dbraw/zinc/06/37/17/637063717.db2.gz SEONOUMDLYGHNC-ZJUUUORDSA-N 1 2 249.314 0.760 20 0 BCADLO CC(C)(CNC(=O)[C@H]1C[C@@H](O)C1)n1cc[nH+]c1 ZINC000898911636 637065018 /nfs/dbraw/zinc/06/50/18/637065018.db2.gz WDFASOOHIXRQMB-AOOOYVTPSA-N 1 2 237.303 0.505 20 0 BCADLO C[C@@H](O)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900934213 637217856 /nfs/dbraw/zinc/21/78/56/637217856.db2.gz SFEHKELDPGQFAN-MRVPVSSYSA-N 1 2 211.265 0.182 20 0 BCADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCO1 ZINC000901007544 637219542 /nfs/dbraw/zinc/21/95/42/637219542.db2.gz QXSQWGVQHNFLKH-LLVKDONJSA-N 1 2 223.276 0.638 20 0 BCADLO Cc1[nH]c(CNC(=O)[C@H](O)C2CC2)[nH+]c1C ZINC000901000684 637225048 /nfs/dbraw/zinc/22/50/48/637225048.db2.gz PQIOXDXDSJXGRP-SNVBAGLBSA-N 1 2 223.276 0.414 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N(CCCO)C1CC1 ZINC000901260114 637237298 /nfs/dbraw/zinc/23/72/98/637237298.db2.gz ZLXJPXONQNRZGE-UHFFFAOYSA-N 1 2 223.276 0.326 20 0 BCADLO CC(C)(O)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901297308 637241554 /nfs/dbraw/zinc/24/15/54/637241554.db2.gz WXOGILWQTCAELZ-UHFFFAOYSA-N 1 2 225.292 0.618 20 0 BCADLO Cc1nc(C(=O)NCCNc2cccc[nH+]2)no1 ZINC000346796789 637254305 /nfs/dbraw/zinc/25/43/05/637254305.db2.gz UDABIQRMIDJXNH-UHFFFAOYSA-N 1 2 247.258 0.615 20 0 BCADLO CCc1noc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000902614222 637314966 /nfs/dbraw/zinc/31/49/66/637314966.db2.gz TWASJAWWMFSCBB-UHFFFAOYSA-N 1 2 235.247 0.259 20 0 BCADLO O=C(CCO)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000902908635 637337018 /nfs/dbraw/zinc/33/70/18/637337018.db2.gz CDTQFZBTTVVKKV-SNVBAGLBSA-N 1 2 235.287 0.159 20 0 BCADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903122158 637344994 /nfs/dbraw/zinc/34/49/94/637344994.db2.gz WKXQBBYBNBFNKU-NEPJUHHUSA-N 1 2 237.303 0.756 20 0 BCADLO C[NH+]1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000905017945 637548298 /nfs/dbraw/zinc/54/82/98/637548298.db2.gz SUGRAUAUFKSYKO-UHFFFAOYSA-N 1 2 244.298 0.951 20 0 BCADLO C[C@@H](CC(=O)Nc1cnnn1C)n1cc[nH+]c1 ZINC000905119525 637624946 /nfs/dbraw/zinc/62/49/46/637624946.db2.gz GFFIVHZWEADKSB-QMMMGPOBSA-N 1 2 234.263 0.601 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC ZINC000905145921 637653925 /nfs/dbraw/zinc/65/39/25/637653925.db2.gz SCJQJTOQWFOKEJ-SECBINFHSA-N 1 2 215.297 0.026 20 0 BCADLO C[C@H]1COC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000905151825 637662225 /nfs/dbraw/zinc/66/22/25/637662225.db2.gz OKPYLLCAROPJHX-VHSXEESVSA-N 1 2 238.291 0.217 20 0 BCADLO CC(F)(F)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905267602 637721515 /nfs/dbraw/zinc/72/15/15/637721515.db2.gz LZPQSIRLKXESPO-MRVPVSSYSA-N 1 2 223.263 0.897 20 0 BCADLO CC(F)(F)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905268764 637727785 /nfs/dbraw/zinc/72/77/85/637727785.db2.gz RKRXAKMFTKGJSR-PSASIEDQSA-N 1 2 239.262 0.134 20 0 BCADLO CC1(C)CN[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905325743 637757401 /nfs/dbraw/zinc/75/74/01/637757401.db2.gz XNMOYYGSSVJRAT-LURJTMIESA-N 1 2 208.265 0.688 20 0 BCADLO N[C@H](c1nc(C2([NH3+])CC2)no1)C1CCC1 ZINC000905327716 637759865 /nfs/dbraw/zinc/75/98/65/637759865.db2.gz RHGOJPYRPQTGCE-ZETCQYMHSA-N 1 2 208.265 0.817 20 0 BCADLO CCC(F)(F)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905387722 637786470 /nfs/dbraw/zinc/78/64/70/637786470.db2.gz YCWQXUUCWHQSQP-MRVPVSSYSA-N 1 2 223.263 0.897 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=S)NC ZINC000905656028 637872509 /nfs/dbraw/zinc/87/25/09/637872509.db2.gz BYACUQVIIYTQBD-SECBINFHSA-N 1 2 231.365 0.191 20 0 BCADLO Cc1nnc(C[NH2+]C[C@H](O)C(F)(F)F)[nH]1 ZINC000905669444 637884181 /nfs/dbraw/zinc/88/41/81/637884181.db2.gz SIDSRBWIXSIUAJ-YFKPBYRVSA-N 1 2 224.186 0.126 20 0 BCADLO C[C@@H]1CC[N@H+](CN2CC(F)(F)CC2=O)CCO1 ZINC000905743446 637905306 /nfs/dbraw/zinc/90/53/06/637905306.db2.gz RERDODCEYNPDIG-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO C[C@@H]1CC[N@@H+](CN2CC(F)(F)CC2=O)CCO1 ZINC000905743446 637905310 /nfs/dbraw/zinc/90/53/10/637905310.db2.gz RERDODCEYNPDIG-SECBINFHSA-N 1 2 248.273 0.922 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817982 637943835 /nfs/dbraw/zinc/94/38/35/637943835.db2.gz YHQIBNBLZQIJAM-GFCCVEGCSA-N 1 2 247.302 0.921 20 0 BCADLO COCCOC1C[NH+](C[C@@](C)(O)C(F)F)C1 ZINC000905951084 637998360 /nfs/dbraw/zinc/99/83/60/637998360.db2.gz UXRQYADNHMMSQD-SNVBAGLBSA-N 1 2 239.262 0.350 20 0 BCADLO CCOC1C[NH+](C[C@H](O)CC2(O)CCCC2)C1 ZINC000905958758 638007052 /nfs/dbraw/zinc/00/70/52/638007052.db2.gz QVCCCMFNAAKZFZ-LLVKDONJSA-N 1 2 243.347 0.763 20 0 BCADLO OC[C@@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906255795 638118373 /nfs/dbraw/zinc/11/83/73/638118373.db2.gz VRWUVCHLZHNBCV-SNVBAGLBSA-N 1 2 236.319 0.817 20 0 BCADLO OC[C@@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906255795 638118375 /nfs/dbraw/zinc/11/83/75/638118375.db2.gz VRWUVCHLZHNBCV-SNVBAGLBSA-N 1 2 236.319 0.817 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906309070 638138876 /nfs/dbraw/zinc/13/88/76/638138876.db2.gz FDFHBLIPTMRPOR-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906309070 638138883 /nfs/dbraw/zinc/13/88/83/638138883.db2.gz FDFHBLIPTMRPOR-SKDRFNHKSA-N 1 2 236.319 0.816 20 0 BCADLO Cn1cnn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1=O ZINC000133627840 711447857 /nfs/dbraw/zinc/44/78/57/711447857.db2.gz URQGIGOMGNMNIL-AOOOYVTPSA-N 1 2 222.292 0.271 20 0 BCADLO CCO[C@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@@H]1C ZINC000906698527 638233358 /nfs/dbraw/zinc/23/33/58/638233358.db2.gz WVLGKJDRPYYYAU-MVWJERBFSA-N 1 2 249.314 0.937 20 0 BCADLO O=C([C@H]1[C@@H]2CCC(=O)[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000906698579 638234350 /nfs/dbraw/zinc/23/43/50/638234350.db2.gz YVNBRNZJNHVJFT-JLLWLGSASA-N 1 2 245.282 0.492 20 0 BCADLO Cn1cnn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=O ZINC000133627840 711447858 /nfs/dbraw/zinc/44/78/58/711447858.db2.gz URQGIGOMGNMNIL-AOOOYVTPSA-N 1 2 222.292 0.271 20 0 BCADLO NC(=O)CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000907021350 638288897 /nfs/dbraw/zinc/28/88/97/638288897.db2.gz OINGCLJHIPJZGY-UHFFFAOYSA-N 1 2 246.270 0.216 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000907260173 638334629 /nfs/dbraw/zinc/33/46/29/638334629.db2.gz IIQLQDXSSNPGCS-ZJUUUORDSA-N 1 2 237.303 0.884 20 0 BCADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000907260170 638335114 /nfs/dbraw/zinc/33/51/14/638335114.db2.gz IIQLQDXSSNPGCS-NXEZZACHSA-N 1 2 237.303 0.884 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC2(CC2)C1 ZINC000907308979 638338039 /nfs/dbraw/zinc/33/80/39/638338039.db2.gz XQSHVOWAIYSOKZ-UHFFFAOYSA-N 1 2 235.287 0.591 20 0 BCADLO CC[C@@H](O)[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000907309016 638338893 /nfs/dbraw/zinc/33/88/93/638338893.db2.gz YTSPBTFRHRMHOY-GXSJLCMTSA-N 1 2 239.319 0.486 20 0 BCADLO CC[C@@H](O)[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000907309018 638339063 /nfs/dbraw/zinc/33/90/63/638339063.db2.gz YTSPBTFRHRMHOY-MWLCHTKSSA-N 1 2 239.319 0.486 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC1(CO)CCC1 ZINC000907343533 638350582 /nfs/dbraw/zinc/35/05/82/638350582.db2.gz ADZVZJHCVZJXJL-UHFFFAOYSA-N 1 2 223.276 0.231 20 0 BCADLO CC(C)C[C@H](CO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907465580 638382153 /nfs/dbraw/zinc/38/21/53/638382153.db2.gz AXHVLQPYEXEICG-LLVKDONJSA-N 1 2 239.319 0.818 20 0 BCADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1O ZINC000907608277 638408535 /nfs/dbraw/zinc/40/85/35/638408535.db2.gz DKDRGMYPYXMNPE-JTQLQIEISA-N 1 2 237.303 0.572 20 0 BCADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC000907622310 638422734 /nfs/dbraw/zinc/42/27/34/638422734.db2.gz MKMXGSBUTUKCNQ-GXSJLCMTSA-N 1 2 237.303 0.836 20 0 BCADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)[C@H](C)O1 ZINC000907613733 638432753 /nfs/dbraw/zinc/43/27/53/638432753.db2.gz ZWRRKBDXGZXSSA-UTLUCORTSA-N 1 2 237.303 0.977 20 0 BCADLO O=C(CNc1cccc[nH+]1)NC[C@H]1CC[C@H](O)C1 ZINC000907674906 638442171 /nfs/dbraw/zinc/44/21/71/638442171.db2.gz HIJSGRGQZNCDPC-QWRGUYRKSA-N 1 2 249.314 0.771 20 0 BCADLO CC(C)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ncon1 ZINC000907768272 638465677 /nfs/dbraw/zinc/46/56/77/638465677.db2.gz QKDFQGNMZBVUQI-SNVBAGLBSA-N 1 2 249.274 0.849 20 0 BCADLO CC(C)[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ncon1 ZINC000907768271 638466096 /nfs/dbraw/zinc/46/60/96/638466096.db2.gz QKDFQGNMZBVUQI-JTQLQIEISA-N 1 2 249.274 0.849 20 0 BCADLO O=C(CNc1cccc[nH+]1)NCCCCCO ZINC000907855573 638489378 /nfs/dbraw/zinc/48/93/78/638489378.db2.gz WSAOZRAWMRSLSL-UHFFFAOYSA-N 1 2 237.303 0.772 20 0 BCADLO COCC1(C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907845865 638497086 /nfs/dbraw/zinc/49/70/86/638497086.db2.gz BHLMINNOXNIRQQ-UHFFFAOYSA-N 1 2 249.314 0.988 20 0 BCADLO C/C(=C\C(=O)NCCF)C[NH+]1CCOCC1 ZINC000907950206 638519561 /nfs/dbraw/zinc/51/95/61/638519561.db2.gz PTANPYSNNITHFQ-CSKARUKUSA-N 1 2 230.283 0.351 20 0 BCADLO CC1(C)COCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907990588 638539670 /nfs/dbraw/zinc/53/96/70/638539670.db2.gz FTJXQSSMEDOOHZ-UHFFFAOYSA-N 1 2 209.249 0.547 20 0 BCADLO CO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907999446 638552843 /nfs/dbraw/zinc/55/28/43/638552843.db2.gz CVZFDAFPMNBUAS-ONGXEEELSA-N 1 2 237.303 0.978 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)Nc1nncn1C1CC1 ZINC000908072060 638566168 /nfs/dbraw/zinc/56/61/68/638566168.db2.gz HIABPTWLZZCAPR-UHFFFAOYSA-N 1 2 232.247 0.517 20 0 BCADLO C[C@@H]1CSC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908150408 638572769 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ZINC000908465825 638728745 /nfs/dbraw/zinc/72/87/45/638728745.db2.gz PCGMFENGXYVAEB-QMMMGPOBSA-N 1 2 221.260 0.682 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NC1CC(=O)C1 ZINC000908472040 638735592 /nfs/dbraw/zinc/73/55/92/638735592.db2.gz XVWJUWKZNGMXMN-UHFFFAOYSA-N 1 2 207.233 0.190 20 0 BCADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](O)C(F)F ZINC000908556329 639013375 /nfs/dbraw/zinc/01/33/75/639013375.db2.gz YSJZHRIQGCCNPG-IONNQARKSA-N 1 2 247.245 0.473 20 0 BCADLO CC[C@H]1[C@@H](CO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908561452 639015452 /nfs/dbraw/zinc/01/54/52/639015452.db2.gz SYFOKPHDDVUGPT-KOLCDFICSA-N 1 2 237.303 0.572 20 0 BCADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757494 639061305 /nfs/dbraw/zinc/06/13/05/639061305.db2.gz BCGXXDCCQKZWQF-RBLKWDMZSA-N 1 2 249.314 0.595 20 0 BCADLO CC[C@H](O)[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757911 639061814 /nfs/dbraw/zinc/06/18/14/639061814.db2.gz FOUZMWBMAYGCPU-YWVKMMECSA-N 1 2 237.303 0.331 20 0 BCADLO 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C=CCNC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044138954 639694093 /nfs/dbraw/zinc/69/40/93/639694093.db2.gz GMUREDNYXFXBSQ-VIFPVBQESA-N 1 2 224.333 0.922 20 0 BCADLO O[C@H](C[N@@H+]1Cc2cccnc2C1)C1(O)CCC1 ZINC000930308590 639697320 /nfs/dbraw/zinc/69/73/20/639697320.db2.gz YQDXNXZFGAFLCK-GFCCVEGCSA-N 1 2 234.299 0.673 20 0 BCADLO O[C@H](C[N@H+]1Cc2cccnc2C1)C1(O)CCC1 ZINC000930308590 639697329 /nfs/dbraw/zinc/69/73/29/639697329.db2.gz YQDXNXZFGAFLCK-GFCCVEGCSA-N 1 2 234.299 0.673 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000930360561 639730509 /nfs/dbraw/zinc/73/05/09/639730509.db2.gz MOKDAASLKMLYHH-GWZUUTHWSA-N 1 2 231.267 0.512 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000930360561 639730516 /nfs/dbraw/zinc/73/05/16/639730516.db2.gz MOKDAASLKMLYHH-GWZUUTHWSA-N 1 2 231.267 0.512 20 0 BCADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)c(C)nn1 ZINC000930361743 639732061 /nfs/dbraw/zinc/73/20/61/639732061.db2.gz XZPLTHOPDVQEAZ-LBPRGKRZSA-N 1 2 239.294 1.000 20 0 BCADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)c(C)nn1 ZINC000930361743 639732067 /nfs/dbraw/zinc/73/20/67/639732067.db2.gz XZPLTHOPDVQEAZ-LBPRGKRZSA-N 1 2 239.294 1.000 20 0 BCADLO CC[C@@H](CO)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499071 639784014 /nfs/dbraw/zinc/78/40/14/639784014.db2.gz UKKXYJCYMNEVKU-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO CC[C@@H](CO)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930499071 639784020 /nfs/dbraw/zinc/78/40/20/639784020.db2.gz UKKXYJCYMNEVKU-BDAKNGLRSA-N 1 2 240.307 0.461 20 0 BCADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nncs1 ZINC000930530020 639801403 /nfs/dbraw/zinc/80/14/03/639801403.db2.gz LKNOJQZVHVYFFY-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nncs1 ZINC000930530020 639801404 /nfs/dbraw/zinc/80/14/04/639801404.db2.gz LKNOJQZVHVYFFY-SSDOTTSWSA-N 1 2 213.306 0.883 20 0 BCADLO C[N@H+](C[C@@H]1COCCO1)[C@H]1CC(C)(C)OC1=O ZINC000930562100 639810807 /nfs/dbraw/zinc/81/08/07/639810807.db2.gz LASUQJHBFXJGCA-ZJUUUORDSA-N 1 2 243.303 0.428 20 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IKDYALMEUBMUAJ-DGCLKSJQSA-N 1 2 248.326 0.849 20 0 BCADLO COC/C(C)=C/C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000930642037 639839693 /nfs/dbraw/zinc/83/96/93/639839693.db2.gz VDTXKQAOZMNNQE-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000930642037 639839694 /nfs/dbraw/zinc/83/96/94/639839694.db2.gz VDTXKQAOZMNNQE-LLGDCAAFSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C\C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000930642039 639840263 /nfs/dbraw/zinc/84/02/63/639840263.db2.gz VDTXKQAOZMNNQE-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO COC/C(C)=C\C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000930642039 639840268 /nfs/dbraw/zinc/84/02/68/639840268.db2.gz VDTXKQAOZMNNQE-ZUYFITGHSA-N 1 2 212.293 0.399 20 0 BCADLO COC(=O)CC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000911877610 639864809 /nfs/dbraw/zinc/86/48/09/639864809.db2.gz OLCZAZXZZDCNBZ-UHFFFAOYSA-N 1 2 237.259 0.164 20 0 BCADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](F)C1 ZINC000911925228 639880946 /nfs/dbraw/zinc/88/09/46/639880946.db2.gz 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/nfs/dbraw/zinc/93/37/57/639933757.db2.gz BKRAFVMBUPVIGE-DJLDLDEBSA-N 1 2 230.308 0.203 20 0 BCADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]1C(F)(F)F ZINC000912080219 639949440 /nfs/dbraw/zinc/94/94/40/639949440.db2.gz DBCFWEAOBVXRFS-MRVPVSSYSA-N 1 2 249.192 0.630 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC(C)=O ZINC000156006497 639952596 /nfs/dbraw/zinc/95/25/96/639952596.db2.gz OIDWVNSTLUPNJN-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC(C)=O ZINC000156006497 639952601 /nfs/dbraw/zinc/95/26/01/639952601.db2.gz OIDWVNSTLUPNJN-SECBINFHSA-N 1 2 235.349 0.721 20 0 BCADLO CCc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000930863599 639955627 /nfs/dbraw/zinc/95/56/27/639955627.db2.gz PETZHJNQPQCHFA-HEFKBWKQSA-N 1 2 240.328 0.942 20 0 BCADLO CCc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000930863599 639955633 /nfs/dbraw/zinc/95/56/33/639955633.db2.gz PETZHJNQPQCHFA-HEFKBWKQSA-N 1 2 240.328 0.942 20 0 BCADLO CC1(C)C[C@@](C)([NH2+]CCCCO)C(=O)O1 ZINC000930872936 639963931 /nfs/dbraw/zinc/96/39/31/639963931.db2.gz BKHDZTDVQWJWSL-LLVKDONJSA-N 1 2 215.293 0.833 20 0 BCADLO C[C@@H]1CCCCN1NC(=O)Cn1cc[nH+]c1 ZINC000912142923 639967468 /nfs/dbraw/zinc/96/74/68/639967468.db2.gz WTNRFJAFRWGLDE-SNVBAGLBSA-N 1 2 222.292 0.789 20 0 BCADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)[C@H](C)O)n1 ZINC000930889105 639973264 /nfs/dbraw/zinc/97/32/64/639973264.db2.gz HJEOWMWPEGPFMI-ACLDMZEESA-N 1 2 229.280 0.113 20 0 BCADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)[C@H](C)O)n1 ZINC000930889105 639973269 /nfs/dbraw/zinc/97/32/69/639973269.db2.gz HJEOWMWPEGPFMI-ACLDMZEESA-N 1 2 229.280 0.113 20 0 BCADLO Cc1cc(C)nc(C[NH2+][C@]2(C(N)=O)CCOC2)c1 ZINC000930889559 639973719 /nfs/dbraw/zinc/97/37/19/639973719.db2.gz SOUFNJAGMUXGPZ-CYBMUJFWSA-N 1 2 249.314 0.432 20 0 BCADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1cnc[nH]1 ZINC000930913599 639984699 /nfs/dbraw/zinc/98/46/99/639984699.db2.gz BNLRLXGXTCFSOC-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1cnc[nH]1 ZINC000930913599 639984706 /nfs/dbraw/zinc/98/47/06/639984706.db2.gz BNLRLXGXTCFSOC-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1c[nH]cn1 ZINC000930913599 639984716 /nfs/dbraw/zinc/98/47/16/639984716.db2.gz BNLRLXGXTCFSOC-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1c[nH]cn1 ZINC000930913599 639984725 /nfs/dbraw/zinc/98/47/25/639984725.db2.gz BNLRLXGXTCFSOC-LLVKDONJSA-N 1 2 225.292 0.647 20 0 BCADLO CCn1[nH]c(C)nc1=NC(=O)Cc1[nH]c[nH+]c1C ZINC000912165235 639985255 /nfs/dbraw/zinc/98/52/55/639985255.db2.gz KCMPMXNZBCKIQX-UHFFFAOYSA-N 1 2 248.290 0.241 20 0 BCADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930915595 639987694 /nfs/dbraw/zinc/98/76/94/639987694.db2.gz KCBUWQPPQSPUSD-ADEWGFFLSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930915595 639987697 /nfs/dbraw/zinc/98/76/97/639987697.db2.gz KCBUWQPPQSPUSD-ADEWGFFLSA-N 1 2 237.303 0.645 20 0 BCADLO 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210.281 0.713 20 0 BCADLO O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140744 640074923 /nfs/dbraw/zinc/07/49/23/640074923.db2.gz WTWKHEJQXWQHKO-ZJUUUORDSA-N 1 2 249.318 0.468 20 0 BCADLO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140744 640074933 /nfs/dbraw/zinc/07/49/33/640074933.db2.gz WTWKHEJQXWQHKO-ZJUUUORDSA-N 1 2 249.318 0.468 20 0 BCADLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCF ZINC000931229035 640106601 /nfs/dbraw/zinc/10/66/01/640106601.db2.gz IXMQOXNMYIOZIK-MRVPVSSYSA-N 1 2 224.301 0.099 20 0 BCADLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1CCF ZINC000931229035 640106604 /nfs/dbraw/zinc/10/66/04/640106604.db2.gz IXMQOXNMYIOZIK-MRVPVSSYSA-N 1 2 224.301 0.099 20 0 BCADLO C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233755 640108081 /nfs/dbraw/zinc/10/80/81/640108081.db2.gz JEJPWXVYSFUXRX-MWLCHTKSSA-N 1 2 245.344 0.142 20 0 BCADLO C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CS(=O)(=O)C1 ZINC000931233755 640108085 /nfs/dbraw/zinc/10/80/85/640108085.db2.gz JEJPWXVYSFUXRX-MWLCHTKSSA-N 1 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BXVSIKAKIZFHPL-UHFFFAOYSA-N 1 2 237.303 0.649 20 0 BCADLO CC(C)[C@@H](O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615275 640140123 /nfs/dbraw/zinc/14/01/23/640140123.db2.gz KEBBRVRPCWRGIY-SNVBAGLBSA-N 1 2 239.319 0.751 20 0 BCADLO O=C(/C=C\C[NH+]1CCOCC1)NC1CSC1 ZINC000912630544 640145961 /nfs/dbraw/zinc/14/59/61/640145961.db2.gz MMPONIPUNMJWLV-UPHRSURJSA-N 1 2 242.344 0.106 20 0 BCADLO Cc1ccncc1C[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931403557 640183274 /nfs/dbraw/zinc/18/32/74/640183274.db2.gz MYKRXWJBRLHKRS-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO Cc1ccncc1C[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931403557 640183283 /nfs/dbraw/zinc/18/32/83/640183283.db2.gz MYKRXWJBRLHKRS-ZDUSSCGKSA-N 1 2 235.331 0.498 20 0 BCADLO COCCCCCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931406668 640183386 /nfs/dbraw/zinc/18/33/86/640183386.db2.gz CFAJKCQRSDAMKP-LBPRGKRZSA-N 1 2 230.352 0.411 20 0 BCADLO COCCCCCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931406668 640183400 /nfs/dbraw/zinc/18/34/00/640183400.db2.gz CFAJKCQRSDAMKP-LBPRGKRZSA-N 1 2 230.352 0.411 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912736216 640186065 /nfs/dbraw/zinc/18/60/65/640186065.db2.gz PSCLOMKUJJEQCC-YNYSXPKMSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912736216 640186069 /nfs/dbraw/zinc/18/60/69/640186069.db2.gz PSCLOMKUJJEQCC-YNYSXPKMSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912736214 640187203 /nfs/dbraw/zinc/18/72/03/640187203.db2.gz PSCLOMKUJJEQCC-BZFUBLJMSA-N 1 2 230.283 0.385 20 0 BCADLO CC/C=C(/F)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912736214 640187205 /nfs/dbraw/zinc/18/72/05/640187205.db2.gz PSCLOMKUJJEQCC-BZFUBLJMSA-N 1 2 230.283 0.385 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739706 640190673 /nfs/dbraw/zinc/19/06/73/640190673.db2.gz FMCBFAHOWUZVSF-VHSXEESVSA-N 1 2 232.299 0.115 20 0 BCADLO CC(C)[C@@H](F)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739706 640190678 /nfs/dbraw/zinc/19/06/78/640190678.db2.gz FMCBFAHOWUZVSF-VHSXEESVSA-N 1 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LVLTWNAPNCVRQA-VIFPVBQESA-N 1 2 248.330 0.950 20 0 BCADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457921 640215670 /nfs/dbraw/zinc/21/56/70/640215670.db2.gz CVGQAFYMEKXJKU-WCBMZHEXSA-N 1 2 234.303 0.560 20 0 BCADLO C[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)Cc2c[nH]nc21 ZINC000931457921 640215675 /nfs/dbraw/zinc/21/56/75/640215675.db2.gz CVGQAFYMEKXJKU-WCBMZHEXSA-N 1 2 234.303 0.560 20 0 BCADLO CCN(C)C(=O)C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458660 640215702 /nfs/dbraw/zinc/21/57/02/640215702.db2.gz JNWITHBRHPBCLA-VIFPVBQESA-N 1 2 236.319 0.807 20 0 BCADLO CCN(C)C(=O)C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458660 640215707 /nfs/dbraw/zinc/21/57/07/640215707.db2.gz JNWITHBRHPBCLA-VIFPVBQESA-N 1 2 236.319 0.807 20 0 BCADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)Cc2c[nH]nc21 ZINC000931460990 640217428 /nfs/dbraw/zinc/21/74/28/640217428.db2.gz PKNZSTBOQJIWTH-ANRSDYALSA-N 1 2 227.333 0.707 20 0 BCADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)Cc2c[nH]nc21 ZINC000931460990 640217435 /nfs/dbraw/zinc/21/74/35/640217435.db2.gz PKNZSTBOQJIWTH-ANRSDYALSA-N 1 2 227.333 0.707 20 0 BCADLO C[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461071 640221036 /nfs/dbraw/zinc/22/10/36/640221036.db2.gz QGYPRKQRYYDKLL-CBAPKCEASA-N 1 2 248.286 0.134 20 0 BCADLO C[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)Cc2c[nH]nc21 ZINC000931461071 640221041 /nfs/dbraw/zinc/22/10/41/640221041.db2.gz QGYPRKQRYYDKLL-CBAPKCEASA-N 1 2 248.286 0.134 20 0 BCADLO C/C=C/CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913166013 640315075 /nfs/dbraw/zinc/31/50/75/640315075.db2.gz GHDCHLSNRDYOCR-QMAXVLQRSA-N 1 2 238.331 0.957 20 0 BCADLO O=C(Cc1c[nH]c[nH+]1)NCC(=O)C1CCCC1 ZINC000913164518 640321294 /nfs/dbraw/zinc/32/12/94/640321294.db2.gz SEUIJEFCCMYVRO-UHFFFAOYSA-N 1 2 235.287 0.828 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931746387 640342318 /nfs/dbraw/zinc/34/23/18/640342318.db2.gz HIHXNZDZINKFCT-GWOFURMSSA-N 1 2 245.319 0.266 20 0 BCADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000931746387 640342326 /nfs/dbraw/zinc/34/23/26/640342326.db2.gz HIHXNZDZINKFCT-GWOFURMSSA-N 1 2 245.319 0.266 20 0 BCADLO CC[C@H](CO)[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000931771628 640364399 /nfs/dbraw/zinc/36/43/99/640364399.db2.gz HJLKKHIONMCIGQ-AEJSXWLSSA-N 1 2 217.309 0.935 20 0 BCADLO CCCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441974 640371569 /nfs/dbraw/zinc/37/15/69/640371569.db2.gz WAJRVIANNUTOCO-SNVBAGLBSA-N 1 2 222.292 0.683 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913546258 640387291 /nfs/dbraw/zinc/38/72/91/640387291.db2.gz LAYYDHATRGSATP-UTUOFQBUSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913546258 640387302 /nfs/dbraw/zinc/38/73/02/640387302.db2.gz LAYYDHATRGSATP-UTUOFQBUSA-N 1 2 240.347 0.558 20 0 BCADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC23CCC3)C[C@@H]1CO ZINC000913547343 640388263 /nfs/dbraw/zinc/38/82/63/640388263.db2.gz MGUBFANHARPOHL-MNOVXSKESA-N 1 2 238.331 0.312 20 0 BCADLO C[N@H+]1CCN(C(=O)[C@@H]2CC23CCC3)C[C@@H]1CO ZINC000913547343 640388271 /nfs/dbraw/zinc/38/82/71/640388271.db2.gz MGUBFANHARPOHL-MNOVXSKESA-N 1 2 238.331 0.312 20 0 BCADLO C[N@@H+]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CO ZINC000913543080 640392508 /nfs/dbraw/zinc/39/25/08/640392508.db2.gz YZQZVFHCUYWZBL-JTQLQIEISA-N 1 2 244.310 0.261 20 0 BCADLO C[N@H+]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CO ZINC000913543080 640392517 /nfs/dbraw/zinc/39/25/17/640392517.db2.gz YZQZVFHCUYWZBL-JTQLQIEISA-N 1 2 244.310 0.261 20 0 BCADLO Cc1nc([C@@H]2CC[N@H+](CC3OCCO3)C2)no1 ZINC000931939261 640397541 /nfs/dbraw/zinc/39/75/41/640397541.db2.gz SIQXJROBZCHDGV-SECBINFHSA-N 1 2 239.275 0.540 20 0 BCADLO Cc1nc([C@@H]2CC[N@@H+](CC3OCCO3)C2)no1 ZINC000931939261 640397546 /nfs/dbraw/zinc/39/75/46/640397546.db2.gz SIQXJROBZCHDGV-SECBINFHSA-N 1 2 239.275 0.540 20 0 BCADLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC000931940783 640399891 /nfs/dbraw/zinc/39/98/91/640399891.db2.gz ZQZXNJIIXSSOCN-SVRRBLITSA-N 1 2 224.264 0.041 20 0 BCADLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC000931940783 640399894 /nfs/dbraw/zinc/39/98/94/640399894.db2.gz ZQZXNJIIXSSOCN-SVRRBLITSA-N 1 2 224.264 0.041 20 0 BCADLO C[NH+]1CCN(NC(=S)NC(C)(C)C)CC1 ZINC000054922131 640421619 /nfs/dbraw/zinc/42/16/19/640421619.db2.gz QDNJKIJMCDQUKT-UHFFFAOYSA-N 1 2 230.381 0.411 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C ZINC000932101754 640425955 /nfs/dbraw/zinc/42/59/55/640425955.db2.gz IMWNPWZKGJQNNV-RKDXNWHRSA-N 1 2 239.275 0.701 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C ZINC000932101754 640425962 /nfs/dbraw/zinc/42/59/62/640425962.db2.gz IMWNPWZKGJQNNV-RKDXNWHRSA-N 1 2 239.275 0.701 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2nccc(N)n2)CCO1 ZINC000932338377 640481383 /nfs/dbraw/zinc/48/13/83/640481383.db2.gz ABPGJIOMASCTBC-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2nccc(N)n2)CCO1 ZINC000932338377 640481386 /nfs/dbraw/zinc/48/13/86/640481386.db2.gz ABPGJIOMASCTBC-SECBINFHSA-N 1 2 222.292 0.670 20 0 BCADLO Cc1nonc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000932340050 640484894 /nfs/dbraw/zinc/48/48/94/640484894.db2.gz BETLRWJPOXFTCC-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nonc1C[N@H+]1CCO[C@H](C)CC1 ZINC000932340050 640484899 /nfs/dbraw/zinc/48/48/99/640484899.db2.gz BETLRWJPOXFTCC-MRVPVSSYSA-N 1 2 211.265 0.989 20 0 BCADLO C[C@@H]1CC[N@H+](Cc2cc(=O)c(O)co2)CCO1 ZINC000932346026 640488812 /nfs/dbraw/zinc/48/88/12/640488812.db2.gz SEZPPOKUACWDDC-SECBINFHSA-N 1 2 239.271 0.956 20 0 BCADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)CCO1 ZINC000932346026 640488816 /nfs/dbraw/zinc/48/88/16/640488816.db2.gz SEZPPOKUACWDDC-SECBINFHSA-N 1 2 239.271 0.956 20 0 BCADLO CN(C)C(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932351901 640494708 /nfs/dbraw/zinc/49/47/08/640494708.db2.gz HYGNPLWBCRXUCO-LLVKDONJSA-N 1 2 234.303 0.606 20 0 BCADLO CC[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(N)=O ZINC000932360354 640498475 /nfs/dbraw/zinc/49/84/75/640498475.db2.gz LOWUGXQENPRLII-NXEZZACHSA-N 1 2 234.303 0.781 20 0 BCADLO CCC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030036111 640523734 /nfs/dbraw/zinc/52/37/34/640523734.db2.gz VBBAVMMNMLGWCO-LLVKDONJSA-N 1 2 226.320 0.766 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)C1CC1 ZINC001030042821 640536205 /nfs/dbraw/zinc/53/62/05/640536205.db2.gz UYLKEDGBMMMYFP-UHFFFAOYSA-N 1 2 200.257 0.556 20 0 BCADLO CC[C@@](C)(O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000932478543 640546225 /nfs/dbraw/zinc/54/62/25/640546225.db2.gz KSBPZQCLGLJSSJ-SNVBAGLBSA-N 1 2 211.265 0.229 20 0 BCADLO CC(F)(F)C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030053550 640547875 /nfs/dbraw/zinc/54/78/75/640547875.db2.gz BBIYOVDXTOFOKP-UHFFFAOYSA-N 1 2 218.247 0.852 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(=O)[nH]cn1 ZINC000165232858 640550622 /nfs/dbraw/zinc/55/06/22/640550622.db2.gz RJNUUNKUBBBMKW-MRVPVSSYSA-N 1 2 219.248 0.467 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030055247 640553398 /nfs/dbraw/zinc/55/33/98/640553398.db2.gz UVIFHHLSDSPCQV-SECBINFHSA-N 1 2 238.287 0.729 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001030064784 640567976 /nfs/dbraw/zinc/56/79/76/640567976.db2.gz MOCLDGUYAMHHDC-JTQLQIEISA-N 1 2 240.347 0.748 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCn2cccc2C1 ZINC000932530144 640570262 /nfs/dbraw/zinc/57/02/62/640570262.db2.gz HBUIIJHKQLJPJA-SNVBAGLBSA-N 1 2 221.304 0.780 20 0 BCADLO C[C@H](C(=O)N(C)C)[N@H+]1CCn2cccc2C1 ZINC000932530144 640570273 /nfs/dbraw/zinc/57/02/73/640570273.db2.gz HBUIIJHKQLJPJA-SNVBAGLBSA-N 1 2 221.304 0.780 20 0 BCADLO Cc1cc(C(=O)NC2C[NH+](CCCF)C2)no1 ZINC001030079081 640579363 /nfs/dbraw/zinc/57/93/63/640579363.db2.gz UXZAJBBYEXEIFU-UHFFFAOYSA-N 1 2 241.266 0.757 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030075740 640579963 /nfs/dbraw/zinc/57/99/63/640579963.db2.gz VCXATHYDEDSUTC-SCZZXKLOSA-N 1 2 214.284 0.802 20 0 BCADLO C[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030077159 640581147 /nfs/dbraw/zinc/58/11/47/640581147.db2.gz YUWBVRSSRAVRJI-ZYHUDNBSSA-N 1 2 248.330 0.340 20 0 BCADLO CCn1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1 ZINC000932607882 640584821 /nfs/dbraw/zinc/58/48/21/640584821.db2.gz ZMJBFULDTXLEKY-UHFFFAOYSA-N 1 2 231.259 0.676 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC=CCC1 ZINC001030090040 640585185 /nfs/dbraw/zinc/58/51/85/640585185.db2.gz PTWIJPCAVFILLA-LLVKDONJSA-N 1 2 238.331 0.526 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000932640172 640592408 /nfs/dbraw/zinc/59/24/08/640592408.db2.gz VQYHGBZXHIUUTJ-QMMMGPOBSA-N 1 2 225.248 0.455 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000932640172 640592414 /nfs/dbraw/zinc/59/24/14/640592414.db2.gz VQYHGBZXHIUUTJ-QMMMGPOBSA-N 1 2 225.248 0.455 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100309 640592762 /nfs/dbraw/zinc/59/27/62/640592762.db2.gz OUYKNDQAHVNBQG-VIFPVBQESA-N 1 2 237.303 0.464 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932645804 640596755 /nfs/dbraw/zinc/59/67/55/640596755.db2.gz DSRMZOPNVVZZOD-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932645804 640596764 /nfs/dbraw/zinc/59/67/64/640596764.db2.gz DSRMZOPNVVZZOD-VHSXEESVSA-N 1 2 243.303 0.823 20 0 BCADLO Cc1ccoc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030106107 640597040 /nfs/dbraw/zinc/59/70/40/640597040.db2.gz YGVOXJHFDQRMIB-SECBINFHSA-N 1 2 238.287 0.383 20 0 BCADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000932647720 640599668 /nfs/dbraw/zinc/59/96/68/640599668.db2.gz JGFHHDZEEBNYCZ-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000932647720 640599672 /nfs/dbraw/zinc/59/96/72/640599672.db2.gz JGFHHDZEEBNYCZ-VIFPVBQESA-N 1 2 223.276 0.795 20 0 BCADLO CC(C)C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030111494 640601586 /nfs/dbraw/zinc/60/15/86/640601586.db2.gz NMUHJGDIPQIVPY-UHFFFAOYSA-N 1 2 236.319 0.377 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cccc(C)n2)C1 ZINC001030114758 640603099 /nfs/dbraw/zinc/60/30/99/640603099.db2.gz FQQFBDQUFBTPDY-UHFFFAOYSA-N 1 2 219.288 0.824 20 0 BCADLO O=C1OCC[C@H]1[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932821326 640614867 /nfs/dbraw/zinc/61/48/67/640614867.db2.gz LYWSYSWYIHFHIR-LLVKDONJSA-N 1 2 239.315 0.929 20 0 BCADLO CC1(CC(=O)N2CC(n3cc[nH+]c3)C2)COC1 ZINC000932825942 640614913 /nfs/dbraw/zinc/61/49/13/640614913.db2.gz GSULGBIPNLNNOH-UHFFFAOYSA-N 1 2 235.287 0.693 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2cncs2)C1 ZINC001030132315 640621813 /nfs/dbraw/zinc/62/18/13/640621813.db2.gz ABOSAUFEQXOWMY-UHFFFAOYSA-N 1 2 225.317 0.967 20 0 BCADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030132161 640621926 /nfs/dbraw/zinc/62/19/26/640621926.db2.gz HGIVPYNTEXMIDY-MRVPVSSYSA-N 1 2 241.266 0.837 20 0 BCADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030132162 640622303 /nfs/dbraw/zinc/62/23/03/640622303.db2.gz HGIVPYNTEXMIDY-QMMMGPOBSA-N 1 2 241.266 0.837 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030133847 640625679 /nfs/dbraw/zinc/62/56/79/640625679.db2.gz XRZILFNHFMIHSU-QMMMGPOBSA-N 1 2 239.275 0.124 20 0 BCADLO O=C(C=C1CCCCC1)NC1C[NH+](CCO)C1 ZINC001030139876 640627643 /nfs/dbraw/zinc/62/76/43/640627643.db2.gz AQYJYGUGTZIGCA-UHFFFAOYSA-N 1 2 238.331 0.670 20 0 BCADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030141916 640629444 /nfs/dbraw/zinc/62/94/44/640629444.db2.gz JEINADCBIFUBKK-LLVKDONJSA-N 1 2 238.331 0.790 20 0 BCADLO Cn1nccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030145040 640631516 /nfs/dbraw/zinc/63/15/16/640631516.db2.gz RCDYCDJIHPVZDS-UHFFFAOYSA-N 1 2 240.282 0.194 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)C1CCCCCC1 ZINC001030151792 640636556 /nfs/dbraw/zinc/63/65/56/640636556.db2.gz MSSWWCUTOWYCKB-UHFFFAOYSA-N 1 2 240.347 0.750 20 0 BCADLO Cc1c[nH]nc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932937088 640647932 /nfs/dbraw/zinc/64/79/32/640647932.db2.gz HOSNTXXCUFGJKL-UHFFFAOYSA-N 1 2 234.303 0.700 20 0 BCADLO Cc1c[nH]nc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932937088 640647935 /nfs/dbraw/zinc/64/79/35/640647935.db2.gz HOSNTXXCUFGJKL-UHFFFAOYSA-N 1 2 234.303 0.700 20 0 BCADLO Cc1nccnc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932938314 640649667 /nfs/dbraw/zinc/64/96/67/640649667.db2.gz ZXBBVHZSHWGOCT-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO Cc1nccnc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932938314 640649670 /nfs/dbraw/zinc/64/96/70/640649670.db2.gz ZXBBVHZSHWGOCT-UHFFFAOYSA-N 1 2 246.314 0.767 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2cn(CC)nn2)C1 ZINC000932968670 640652634 /nfs/dbraw/zinc/65/26/34/640652634.db2.gz LSXJKBYHBRBPLG-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC000932968670 640652639 /nfs/dbraw/zinc/65/26/39/640652639.db2.gz LSXJKBYHBRBPLG-NSHDSACASA-N 1 2 224.308 0.909 20 0 BCADLO Cc1cncc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001030181079 640662917 /nfs/dbraw/zinc/66/29/17/640662917.db2.gz XVHQSBCRSFEZDM-UHFFFAOYSA-N 1 2 249.314 0.186 20 0 BCADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000933074683 640665158 /nfs/dbraw/zinc/66/51/58/640665158.db2.gz OOYHDKIGCJQARD-ZETCQYMHSA-N 1 2 224.268 0.011 20 0 BCADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000933074683 640665160 /nfs/dbraw/zinc/66/51/60/640665160.db2.gz OOYHDKIGCJQARD-ZETCQYMHSA-N 1 2 224.268 0.011 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)C1CC1 ZINC001030194734 640670703 /nfs/dbraw/zinc/67/07/03/640670703.db2.gz OXYARUGVVDLRPF-DTWKUNHWSA-N 1 2 226.320 0.214 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001030199773 640675317 /nfs/dbraw/zinc/67/53/17/640675317.db2.gz FHLHAQQWXOHURC-OHBODLIOSA-N 1 2 238.331 0.214 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)C1=CCCC1 ZINC001030209275 640684136 /nfs/dbraw/zinc/68/41/36/640684136.db2.gz YSOWRQYJKMODJE-UHFFFAOYSA-N 1 2 224.304 0.280 20 0 BCADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030212105 640686300 /nfs/dbraw/zinc/68/63/00/640686300.db2.gz NGBJRJQVQIEOPV-SNVBAGLBSA-N 1 2 238.331 0.932 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCCO2)C1 ZINC001030217608 640688804 /nfs/dbraw/zinc/68/88/04/640688804.db2.gz GGZMTTOUXBFEIT-JTQLQIEISA-N 1 2 212.293 0.376 20 0 BCADLO CCn1c[nH+]c2c1CCN([C@@H]1CCCNC1=O)C2 ZINC000933256862 640691566 /nfs/dbraw/zinc/69/15/66/640691566.db2.gz HWDRHBKRJNQNBC-GFCCVEGCSA-N 1 2 248.330 0.540 20 0 BCADLO COC[C@H]1COCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000933328783 640703722 /nfs/dbraw/zinc/70/37/22/640703722.db2.gz CHSAAOVIXQALCF-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO COC[C@H]1COCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000933328783 640703729 /nfs/dbraw/zinc/70/37/29/640703729.db2.gz CHSAAOVIXQALCF-VHSXEESVSA-N 1 2 229.276 0.039 20 0 BCADLO CC[C@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933321687 640704428 /nfs/dbraw/zinc/70/44/28/640704428.db2.gz CBFCEMRFFAQNPN-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO CC[C@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933321687 640704431 /nfs/dbraw/zinc/70/44/31/640704431.db2.gz CBFCEMRFFAQNPN-QWHCGFSZSA-N 1 2 248.326 0.930 20 0 BCADLO COC/C(C)=C/C[N@H+]1CCOC[C@@H]1COC ZINC000933328486 640704527 /nfs/dbraw/zinc/70/45/27/640704527.db2.gz FNALKFYRLVRCLV-QNCMIEPLSA-N 1 2 229.320 0.926 20 0 BCADLO COC/C(C)=C/C[N@@H+]1CCOC[C@@H]1COC ZINC000933328486 640704529 /nfs/dbraw/zinc/70/45/29/640704529.db2.gz FNALKFYRLVRCLV-QNCMIEPLSA-N 1 2 229.320 0.926 20 0 BCADLO COC[C@@H]1COCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000933332313 640706197 /nfs/dbraw/zinc/70/61/97/640706197.db2.gz RIYDLCXASRBRNS-GHMZBOCLSA-N 1 2 245.319 0.485 20 0 BCADLO COC[C@@H]1COCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000933332313 640706205 /nfs/dbraw/zinc/70/62/05/640706205.db2.gz RIYDLCXASRBRNS-GHMZBOCLSA-N 1 2 245.319 0.485 20 0 BCADLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(=O)[nH]1 ZINC000933395291 640714118 /nfs/dbraw/zinc/71/41/18/640714118.db2.gz GJWBLLLLSQQZEX-UHFFFAOYSA-N 1 2 249.314 0.841 20 0 BCADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(=O)[nH]1 ZINC000933395291 640714121 /nfs/dbraw/zinc/71/41/21/640714121.db2.gz GJWBLLLLSQQZEX-UHFFFAOYSA-N 1 2 249.314 0.841 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)nn1 ZINC000167400775 640717339 /nfs/dbraw/zinc/71/73/39/640717339.db2.gz PVQXTCRGXNAYMZ-UHFFFAOYSA-N 1 2 242.710 0.826 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)nn1 ZINC000167400775 640717341 /nfs/dbraw/zinc/71/73/41/640717341.db2.gz PVQXTCRGXNAYMZ-UHFFFAOYSA-N 1 2 242.710 0.826 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030286250 640730178 /nfs/dbraw/zinc/73/01/78/640730178.db2.gz MLZCTIRMNACLIL-IONNQARKSA-N 1 2 248.273 0.477 20 0 BCADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC[C@H](F)C1 ZINC001030298933 640738225 /nfs/dbraw/zinc/73/82/25/640738225.db2.gz RHQQAVCBRSLPKK-ZJUUUORDSA-N 1 2 244.310 0.307 20 0 BCADLO CCOCCO[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000157813127 640739051 /nfs/dbraw/zinc/73/90/51/640739051.db2.gz GTZSDAOWQAFLEU-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO CCOCCO[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000157813127 640739055 /nfs/dbraw/zinc/73/90/55/640739055.db2.gz GTZSDAOWQAFLEU-WDEREUQCSA-N 1 2 243.303 0.429 20 0 BCADLO O=S1(=O)C[C@H]2C[N@H+](C/C=C/Cl)C[C@H]2C1 ZINC000933729471 640752674 /nfs/dbraw/zinc/75/26/74/640752674.db2.gz VHBZWMQYSXJEDH-YLSDFIPESA-N 1 2 235.736 0.715 20 0 BCADLO O=S1(=O)C[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]2C1 ZINC000933729471 640752679 /nfs/dbraw/zinc/75/26/79/640752679.db2.gz VHBZWMQYSXJEDH-YLSDFIPESA-N 1 2 235.736 0.715 20 0 BCADLO CC[N@H+](CCC(=O)NC)[C@H](C)c1noc(C)n1 ZINC000933861952 640774565 /nfs/dbraw/zinc/77/45/65/640774565.db2.gz FRNSWILSJRZNRL-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO CC[N@@H+](CCC(=O)NC)[C@H](C)c1noc(C)n1 ZINC000933861952 640774568 /nfs/dbraw/zinc/77/45/68/640774568.db2.gz FRNSWILSJRZNRL-MRVPVSSYSA-N 1 2 240.307 0.897 20 0 BCADLO Cc1ncc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)o1 ZINC000933968616 640796816 /nfs/dbraw/zinc/79/68/16/640796816.db2.gz OYVUVRURAYZHTJ-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO Cc1ncc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)o1 ZINC000933968616 640796820 /nfs/dbraw/zinc/79/68/20/640796820.db2.gz OYVUVRURAYZHTJ-NWDGAFQWSA-N 1 2 238.287 0.973 20 0 BCADLO Cc1nccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)n1 ZINC000933966782 640797685 /nfs/dbraw/zinc/79/76/85/640797685.db2.gz RGUOJEKYUBRFLL-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO Cc1nccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)n1 ZINC000933966782 640797695 /nfs/dbraw/zinc/79/76/95/640797695.db2.gz RGUOJEKYUBRFLL-QWHCGFSZSA-N 1 2 249.314 0.775 20 0 BCADLO CCn1cc(C(=O)NCc2[nH]c[nH+]c2C)nn1 ZINC000933992180 640800847 /nfs/dbraw/zinc/80/08/47/640800847.db2.gz CPXSEVKMJWAISW-UHFFFAOYSA-N 1 2 234.263 0.260 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cn(C)cn1 ZINC000933993722 640802258 /nfs/dbraw/zinc/80/22/58/640802258.db2.gz OJTZJOJMNMHVDC-ARJAWSKDSA-N 1 2 245.286 0.781 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@H](CCO)C1CCCC1 ZINC000934011492 640808584 /nfs/dbraw/zinc/80/85/84/640808584.db2.gz MONLTZPRRVPUTQ-GHMZBOCLSA-N 1 2 227.304 0.833 20 0 BCADLO COCC[NH+]1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC001030381584 640809369 /nfs/dbraw/zinc/80/93/69/640809369.db2.gz YWLMJPBNEGKUJV-UHFFFAOYSA-N 1 2 248.326 0.732 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000158254902 640826674 /nfs/dbraw/zinc/82/66/74/640826674.db2.gz ORURBTKFSJFDNZ-ZJUUUORDSA-N 1 2 215.293 0.785 20 0 BCADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](O)C1 ZINC000158254902 640826677 /nfs/dbraw/zinc/82/66/77/640826677.db2.gz ORURBTKFSJFDNZ-ZJUUUORDSA-N 1 2 215.293 0.785 20 0 BCADLO CC[NH+]1CC(NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001030423260 640850609 /nfs/dbraw/zinc/85/06/09/640850609.db2.gz RCYGCUBIPHTXGZ-UHFFFAOYSA-N 1 2 248.330 0.731 20 0 BCADLO CC[C@@H]1CCO[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030470289 640872405 /nfs/dbraw/zinc/87/24/05/640872405.db2.gz CIPNRZBFUVABHU-KOLCDFICSA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2Cl)C1 ZINC001030535422 640901820 /nfs/dbraw/zinc/90/18/20/640901820.db2.gz RKZWIPOEOXEEFR-UHFFFAOYSA-N 1 2 242.710 0.507 20 0 BCADLO CCc1nnc(C)cc1C(=O)NC1C[NH+](CC)C1 ZINC001030549830 640908668 /nfs/dbraw/zinc/90/86/68/640908668.db2.gz ZASQCXDGZHTSNM-UHFFFAOYSA-N 1 2 248.330 0.781 20 0 BCADLO CNc1cc(N[C@H](C)C[S@](C)=O)[nH+]cn1 ZINC000229090915 640921734 /nfs/dbraw/zinc/92/17/34/640921734.db2.gz FEIAJKNMKNOLLX-MLXNANBUSA-N 1 2 228.321 0.697 20 0 BCADLO CC[NH+]1CC(NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001030589014 640935227 /nfs/dbraw/zinc/93/52/27/640935227.db2.gz FNOKDXSPPSKAPJ-UHFFFAOYSA-N 1 2 248.330 0.582 20 0 BCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1C ZINC000682422311 640946155 /nfs/dbraw/zinc/94/61/55/640946155.db2.gz RCOJQPTVBGJFOT-GRYCIOLGSA-N 1 2 239.363 0.395 20 0 BCADLO CSCC[N@H+](C)CCS(C)(=O)=O ZINC000171202524 640965163 /nfs/dbraw/zinc/96/51/63/640965163.db2.gz MHHUESDYJAEQCN-UHFFFAOYSA-N 1 2 211.352 0.326 20 0 BCADLO CSCC[N@@H+](C)CCS(C)(=O)=O ZINC000171202524 640965166 /nfs/dbraw/zinc/96/51/66/640965166.db2.gz MHHUESDYJAEQCN-UHFFFAOYSA-N 1 2 211.352 0.326 20 0 BCADLO CC(C)C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000230248612 641042675 /nfs/dbraw/zinc/04/26/75/641042675.db2.gz VWZHCUKCFKDJKA-NSHDSACASA-N 1 2 239.319 0.796 20 0 BCADLO CNc1cc(N2CCO[C@@H](C)C2)nc[nH+]1 ZINC000087806065 641051192 /nfs/dbraw/zinc/05/11/92/641051192.db2.gz LDZDGJLJFFOVKU-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CNc1cc(N2CCO[C@@H](C)C2)[nH+]cn1 ZINC000087806065 641051197 /nfs/dbraw/zinc/05/11/97/641051197.db2.gz LDZDGJLJFFOVKU-QMMMGPOBSA-N 1 2 208.265 0.743 20 0 BCADLO CCCN(CCO)c1cc(NC)[nH+]cn1 ZINC000087821476 641056130 /nfs/dbraw/zinc/05/61/30/641056130.db2.gz JWZOGLFFFBCNEP-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO CCCN(CCO)c1cc(NC)nc[nH+]1 ZINC000087821476 641056135 /nfs/dbraw/zinc/05/61/35/641056135.db2.gz JWZOGLFFFBCNEP-UHFFFAOYSA-N 1 2 210.281 0.727 20 0 BCADLO C[C@@H]([NH2+]CCCOCCO)C(=O)OC(C)(C)C ZINC000230766664 641093953 /nfs/dbraw/zinc/09/39/53/641093953.db2.gz NXVSNNQAWVDYAR-SNVBAGLBSA-N 1 2 247.335 0.705 20 0 BCADLO C[C@H]1C[N@H+](CC(N)=O)CCN1c1ccccc1 ZINC000934324967 641126796 /nfs/dbraw/zinc/12/67/96/641126796.db2.gz MLUHHSFXMGHMSE-NSHDSACASA-N 1 2 233.315 0.682 20 0 BCADLO C[C@H]1C[N@@H+](CC(N)=O)CCN1c1ccccc1 ZINC000934324967 641126800 /nfs/dbraw/zinc/12/68/00/641126800.db2.gz MLUHHSFXMGHMSE-NSHDSACASA-N 1 2 233.315 0.682 20 0 BCADLO COC(=O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934404226 641140119 /nfs/dbraw/zinc/14/01/19/641140119.db2.gz XQDDSLZXYQITAS-VIFPVBQESA-N 1 2 229.276 0.087 20 0 BCADLO O=C1OCC[C@H]1[NH2+][C@H]1CCOC12CCCC2 ZINC000934393615 641140895 /nfs/dbraw/zinc/14/08/95/641140895.db2.gz ZIROJABEZJUCAG-ZJUUUORDSA-N 1 2 225.288 0.993 20 0 BCADLO Cn1cc(C[N@H+](C)Cc2cnc(N)cn2)cn1 ZINC000231298162 641158180 /nfs/dbraw/zinc/15/81/80/641158180.db2.gz GKTKJIYDXFVVGD-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO Cn1cc(C[N@@H+](C)Cc2cnc(N)cn2)cn1 ZINC000231298162 641158184 /nfs/dbraw/zinc/15/81/84/641158184.db2.gz GKTKJIYDXFVVGD-UHFFFAOYSA-N 1 2 232.291 0.424 20 0 BCADLO CCO[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC000932972146 641171046 /nfs/dbraw/zinc/17/10/46/641171046.db2.gz CZHGNBRVUJXUIC-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO CCO[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC000932972146 641171051 /nfs/dbraw/zinc/17/10/51/641171051.db2.gz CZHGNBRVUJXUIC-VIFPVBQESA-N 1 2 211.265 0.989 20 0 BCADLO Cc1nccn1CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934564146 641195582 /nfs/dbraw/zinc/19/55/82/641195582.db2.gz HCGMVQBEZIXBOP-WDEREUQCSA-N 1 2 227.283 0.596 20 0 BCADLO Cc1nccn1CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934564146 641195584 /nfs/dbraw/zinc/19/55/84/641195584.db2.gz HCGMVQBEZIXBOP-WDEREUQCSA-N 1 2 227.283 0.596 20 0 BCADLO CC[C@@H](CO)N1CC[NH+](CCC(C)=O)CC1 ZINC000173738868 641197015 /nfs/dbraw/zinc/19/70/15/641197015.db2.gz WYXZUJIMCDYECB-LBPRGKRZSA-N 1 2 228.336 0.354 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001030694455 641256752 /nfs/dbraw/zinc/25/67/52/641256752.db2.gz MVALHBJTWWCPQK-UHFFFAOYSA-N 1 2 211.240 0.588 20 0 BCADLO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c(C)nn1 ZINC000934810626 641277476 /nfs/dbraw/zinc/27/74/76/641277476.db2.gz IHLCDKGFNBLHTM-NSHDSACASA-N 1 2 248.330 0.804 20 0 BCADLO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)c(C)nn1 ZINC000934810626 641277478 /nfs/dbraw/zinc/27/74/78/641277478.db2.gz IHLCDKGFNBLHTM-NSHDSACASA-N 1 2 248.330 0.804 20 0 BCADLO C[C@H]1CO[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030699942 641283597 /nfs/dbraw/zinc/28/35/97/641283597.db2.gz QJDNPPFJMJPMJL-KOLCDFICSA-N 1 2 244.310 0.571 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030707963 641312444 /nfs/dbraw/zinc/31/24/44/641312444.db2.gz IBADREKTPJWJEM-OPQQBVKSSA-N 1 2 238.331 0.358 20 0 BCADLO CC[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030711194 641314705 /nfs/dbraw/zinc/31/47/05/641314705.db2.gz FBEUWENLKPAHAW-MNOVXSKESA-N 1 2 226.320 0.622 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@@H]2C)C1 ZINC001030731590 641327332 /nfs/dbraw/zinc/32/73/32/641327332.db2.gz DDKKKIGKLQYFRR-SKDRFNHKSA-N 1 2 226.320 0.622 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000929486350 641332741 /nfs/dbraw/zinc/33/27/41/641332741.db2.gz DEQIIGVVBJUASX-KXUCPTDWSA-N 1 2 240.303 0.006 20 0 BCADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCNC(=O)[C@H]1C ZINC000929486350 641332743 /nfs/dbraw/zinc/33/27/43/641332743.db2.gz DEQIIGVVBJUASX-KXUCPTDWSA-N 1 2 240.303 0.006 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757561 641336633 /nfs/dbraw/zinc/33/66/33/641336633.db2.gz XHLCCQFFKYCRLS-JTQLQIEISA-N 1 2 240.347 0.748 20 0 BCADLO CC1(C)CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030806847 641361292 /nfs/dbraw/zinc/36/12/92/641361292.db2.gz IDOIWRMEEAUEOO-NSHDSACASA-N 1 2 240.347 0.605 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001030810188 641362892 /nfs/dbraw/zinc/36/28/92/641362892.db2.gz BXGPIJUZMFEWCK-LLVKDONJSA-N 1 2 240.347 0.869 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001030820622 641368367 /nfs/dbraw/zinc/36/83/67/641368367.db2.gz LZIQMYOMGWXLMP-UKKRHICBSA-N 1 2 238.331 0.214 20 0 BCADLO O=C(Cc1cnoc1)NC1C[NH+](CCCF)C1 ZINC001030829905 641372040 /nfs/dbraw/zinc/37/20/40/641372040.db2.gz YMAVLSTXEURXMT-UHFFFAOYSA-N 1 2 241.266 0.377 20 0 BCADLO CC1(C)CC(CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001030830282 641372716 /nfs/dbraw/zinc/37/27/16/641372716.db2.gz HYBZVLQIZCJTDK-UHFFFAOYSA-N 1 2 240.347 0.605 20 0 BCADLO CC(C)[NH+]1CC(NC(=O)[C@@]2(F)CCOC2)C1 ZINC001030841902 641378320 /nfs/dbraw/zinc/37/83/20/641378320.db2.gz LUIPXSDQDQBZMY-LLVKDONJSA-N 1 2 230.283 0.324 20 0 BCADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001030850905 641382861 /nfs/dbraw/zinc/38/28/61/641382861.db2.gz LBQRPIHRZAGVFT-VHSXEESVSA-N 1 2 244.310 0.571 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1ccns1 ZINC000929682167 641395483 /nfs/dbraw/zinc/39/54/83/641395483.db2.gz CTXWDFQQQZRQCL-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccns1 ZINC000929682167 641395488 /nfs/dbraw/zinc/39/54/88/641395488.db2.gz CTXWDFQQQZRQCL-SNVBAGLBSA-N 1 2 239.344 0.896 20 0 BCADLO CC[C@@H]1CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030912390 641417806 /nfs/dbraw/zinc/41/78/06/641417806.db2.gz ZVCYTKZMWGKMRT-PWSUYJOCSA-N 1 2 240.347 0.605 20 0 BCADLO CC1(C)CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030922594 641423526 /nfs/dbraw/zinc/42/35/26/641423526.db2.gz LUGHWCCRUYZVDS-JTQLQIEISA-N 1 2 240.347 0.605 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001030922870 641424127 /nfs/dbraw/zinc/42/41/27/641424127.db2.gz PHXYSYNYHUDFCT-ONGXEEELSA-N 1 2 226.320 0.622 20 0 BCADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030923943 641425034 /nfs/dbraw/zinc/42/50/34/641425034.db2.gz LUPZTEBLRJQAOA-HOSYDEDBSA-N 1 2 240.347 0.604 20 0 BCADLO CCN(CC(N)=O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935607009 641445728 /nfs/dbraw/zinc/44/57/28/641445728.db2.gz UHKIKAMLDOEKPV-UHFFFAOYSA-N 1 2 246.270 0.510 20 0 BCADLO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000913760942 641467922 /nfs/dbraw/zinc/46/79/22/641467922.db2.gz UJWGLDYEHQOEMF-ZYHUDNBSSA-N 1 2 248.330 0.505 20 0 BCADLO CC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913793494 641478187 /nfs/dbraw/zinc/47/81/87/641478187.db2.gz CFXFYRWBXSTGFR-SNVBAGLBSA-N 1 2 235.287 0.780 20 0 BCADLO CC1(C)CO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913796790 641480042 /nfs/dbraw/zinc/48/00/42/641480042.db2.gz MHSNZLPFQGHNSQ-SNVBAGLBSA-N 1 2 237.303 0.884 20 0 BCADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935925716 641503002 /nfs/dbraw/zinc/50/30/02/641503002.db2.gz WNGKHXMQMDEUPZ-FBIMIBRVSA-N 1 2 235.287 0.349 20 0 BCADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030978124 641555679 /nfs/dbraw/zinc/55/56/79/641555679.db2.gz ACZBSRVDGYEAKX-FXPVBKGRSA-N 1 2 226.320 0.214 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001030993080 641571113 /nfs/dbraw/zinc/57/11/13/641571113.db2.gz KOZWBXARTOWSJD-UHFFFAOYSA-N 1 2 236.319 0.967 20 0 BCADLO CCn1nc(C)cc1C(=O)NC1C[NH+](CC)C1 ZINC001031001501 641578201 /nfs/dbraw/zinc/57/82/01/641578201.db2.gz GCLJYNOAFZWITP-UHFFFAOYSA-N 1 2 236.319 0.645 20 0 BCADLO CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000155955462 641588322 /nfs/dbraw/zinc/58/83/22/641588322.db2.gz ZNHWOXNIRKAQQB-UHFFFAOYSA-N 1 2 236.275 0.141 20 0 BCADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC12CCC2 ZINC001031022572 641600469 /nfs/dbraw/zinc/60/04/69/641600469.db2.gz HWENFEJTQRTMQQ-LLVKDONJSA-N 1 2 238.331 0.359 20 0 BCADLO CCc1oncc1C(=O)NC1C[NH+](CC)C1 ZINC001031032349 641602307 /nfs/dbraw/zinc/60/23/07/641602307.db2.gz SOSRGBZEXCJAFG-UHFFFAOYSA-N 1 2 223.276 0.671 20 0 BCADLO CNc1cc(N[C@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000156254583 641602926 /nfs/dbraw/zinc/60/29/26/641602926.db2.gz BYVQKSYPUACHCC-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO CNc1cc(N[C@H]2CCC(=O)N(C)C2)[nH+]cn1 ZINC000156254583 641602928 /nfs/dbraw/zinc/60/29/28/641602928.db2.gz BYVQKSYPUACHCC-QMMMGPOBSA-N 1 2 235.291 0.551 20 0 BCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ncc[nH]1 ZINC000493706357 641635737 /nfs/dbraw/zinc/63/57/37/641635737.db2.gz LXMQNCWDGXUKDW-MXQLGCADSA-N 1 2 245.286 0.824 20 0 BCADLO O=C(Cc1ccco1)NC1C[NH+](CCCF)C1 ZINC001031132123 641726543 /nfs/dbraw/zinc/72/65/43/641726543.db2.gz SMHJKOZPOLFGIW-UHFFFAOYSA-N 1 2 240.278 0.982 20 0 BCADLO C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031147814 641735921 /nfs/dbraw/zinc/73/59/21/641735921.db2.gz ZGQNMRTUPWBBRV-GXSJLCMTSA-N 1 2 244.310 0.571 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCOC2)C1 ZINC001031150619 641738664 /nfs/dbraw/zinc/73/86/64/641738664.db2.gz GRSPKRKGRYWHOE-NSHDSACASA-N 1 2 212.293 0.233 20 0 BCADLO CCCNC(=S)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914705182 641755745 /nfs/dbraw/zinc/75/57/45/641755745.db2.gz MFFQDGHBQUKNAV-SNVBAGLBSA-N 1 2 245.392 0.581 20 0 BCADLO Cn1ccnc1C[N@H+](C)CC[C@H]1CCOC1=O ZINC000153418236 641783274 /nfs/dbraw/zinc/78/32/74/641783274.db2.gz GJLOWMWGCHCKNE-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO Cn1ccnc1C[N@@H+](C)CC[C@H]1CCOC1=O ZINC000153418236 641783275 /nfs/dbraw/zinc/78/32/75/641783275.db2.gz GJLOWMWGCHCKNE-JTQLQIEISA-N 1 2 237.303 0.805 20 0 BCADLO C[N@H+](CCOCC(F)F)CCS(C)(=O)=O ZINC000189084891 641786236 /nfs/dbraw/zinc/78/62/36/641786236.db2.gz ZMQOOIPZACIPED-UHFFFAOYSA-N 1 2 245.291 0.245 20 0 BCADLO C[N@@H+](CCOCC(F)F)CCS(C)(=O)=O ZINC000189084891 641786242 /nfs/dbraw/zinc/78/62/42/641786242.db2.gz ZMQOOIPZACIPED-UHFFFAOYSA-N 1 2 245.291 0.245 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC(OC)OC ZINC000189144289 641790838 /nfs/dbraw/zinc/79/08/38/641790838.db2.gz QRVJWLKOVKUDIY-SECBINFHSA-N 1 2 230.308 0.206 20 0 BCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC(OC)OC ZINC000189144289 641790845 /nfs/dbraw/zinc/79/08/45/641790845.db2.gz QRVJWLKOVKUDIY-SECBINFHSA-N 1 2 230.308 0.206 20 0 BCADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(F)nc1 ZINC000189284371 641800435 /nfs/dbraw/zinc/80/04/35/641800435.db2.gz WYHVBTSKWRWIRN-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(F)nc1 ZINC000189284371 641800439 /nfs/dbraw/zinc/80/04/39/641800439.db2.gz WYHVBTSKWRWIRN-UHFFFAOYSA-N 1 2 225.267 0.916 20 0 BCADLO COC(C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C)OC ZINC000189814774 641820134 /nfs/dbraw/zinc/82/01/34/641820134.db2.gz STXCSQBTDGKCIB-JTQLQIEISA-N 1 2 244.335 0.452 20 0 BCADLO COC(C[N@H+]1CCNC(=O)[C@@H]1CC(C)C)OC ZINC000189814774 641820139 /nfs/dbraw/zinc/82/01/39/641820139.db2.gz STXCSQBTDGKCIB-JTQLQIEISA-N 1 2 244.335 0.452 20 0 BCADLO CCS(=O)(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000190020021 641828908 /nfs/dbraw/zinc/82/89/08/641828908.db2.gz DTLLVRVXZHRWOK-UHFFFAOYSA-N 1 2 235.349 0.125 20 0 BCADLO CCS(=O)(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000190020021 641828910 /nfs/dbraw/zinc/82/89/10/641828910.db2.gz DTLLVRVXZHRWOK-UHFFFAOYSA-N 1 2 235.349 0.125 20 0 BCADLO CCN(C(=O)c1ccncc1)C1C[NH+](CCO)C1 ZINC000949569986 641843359 /nfs/dbraw/zinc/84/33/59/641843359.db2.gz PGKSPHJBAIHFCH-UHFFFAOYSA-N 1 2 249.314 0.220 20 0 BCADLO CCNC(=O)N1CC[NH+](CCC(=O)CC)CC1 ZINC000190175349 641847673 /nfs/dbraw/zinc/84/76/73/641847673.db2.gz HKSIMRTWSVCHPK-UHFFFAOYSA-N 1 2 241.335 0.703 20 0 BCADLO CCC(=O)CC[NH+]1CCN(C(=O)COC)CC1 ZINC000190189809 641848080 /nfs/dbraw/zinc/84/80/80/641848080.db2.gz ULXWWCFFDIETNN-UHFFFAOYSA-N 1 2 242.319 0.146 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC001031243933 641850485 /nfs/dbraw/zinc/85/04/85/641850485.db2.gz JKXCWSMRKOEZPT-UHFFFAOYSA-N 1 2 236.319 0.898 20 0 BCADLO CCN(C(=O)C1CC(C)C1)C1C[NH+](CCO)C1 ZINC000949867656 641868733 /nfs/dbraw/zinc/86/87/33/641868733.db2.gz HLSMZDFXWXTECH-UHFFFAOYSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)c1ccccc1 ZINC001031281660 641872535 /nfs/dbraw/zinc/87/25/35/641872535.db2.gz OLQGBUFCMJCZTC-LLVKDONJSA-N 1 2 248.326 0.583 20 0 BCADLO CC[C@H]([NH2+]CCc1ccnn1C)C(=O)OC ZINC000190591601 641872981 /nfs/dbraw/zinc/87/29/81/641872981.db2.gz UIDIKNYMOCAWCU-JTQLQIEISA-N 1 2 225.292 0.504 20 0 BCADLO C[C@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)CC1 ZINC001031285722 641873804 /nfs/dbraw/zinc/87/38/04/641873804.db2.gz NLDXXFBMHYILAB-XYPYZODXSA-N 1 2 240.347 0.605 20 0 BCADLO Cc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001031301388 641875522 /nfs/dbraw/zinc/87/55/22/641875522.db2.gz UVCIFKSNICIHIO-UHFFFAOYSA-N 1 2 234.299 0.401 20 0 BCADLO Cc1cnc(C[N@H+](C)CCN2CCCC2=O)cn1 ZINC000732984495 641883305 /nfs/dbraw/zinc/88/33/05/641883305.db2.gz AHOKOTKMGNNYTG-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO Cc1cnc(C[N@@H+](C)CCN2CCCC2=O)cn1 ZINC000732984495 641883309 /nfs/dbraw/zinc/88/33/09/641883309.db2.gz AHOKOTKMGNNYTG-UHFFFAOYSA-N 1 2 248.330 0.839 20 0 BCADLO C[C@@H]1C[N@H+](CCNC(=O)NCC2CC2)CCO1 ZINC000916233579 641917661 /nfs/dbraw/zinc/91/76/61/641917661.db2.gz BTGVGICROXTXQW-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2CC2)CCO1 ZINC000916233579 641917663 /nfs/dbraw/zinc/91/76/63/641917663.db2.gz BTGVGICROXTXQW-SNVBAGLBSA-N 1 2 241.335 0.416 20 0 BCADLO Cn1c[nH+]c(CCNC(=O)O[C@@H]2CCOC2)c1 ZINC000916231417 641919169 /nfs/dbraw/zinc/91/91/69/641919169.db2.gz RBEXZSJIHRRBGT-SNVBAGLBSA-N 1 2 239.275 0.478 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001031317377 641962104 /nfs/dbraw/zinc/96/21/04/641962104.db2.gz WWPCYJFCILJOGG-LLVKDONJSA-N 1 2 245.326 0.617 20 0 BCADLO CCc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001031338925 641976618 /nfs/dbraw/zinc/97/66/18/641976618.db2.gz XNTJTPHQCKCSNG-UHFFFAOYSA-N 1 2 248.326 0.655 20 0 BCADLO CCOc1ncccc1C(=O)NC1C[NH+](CC)C1 ZINC001031337600 641979516 /nfs/dbraw/zinc/97/95/16/641979516.db2.gz ZKKJVDMXEMUYIP-UHFFFAOYSA-N 1 2 249.314 0.914 20 0 BCADLO CC[NH+]1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001031347085 641985394 /nfs/dbraw/zinc/98/53/94/641985394.db2.gz JMCZWSHPRUIVCJ-UHFFFAOYSA-N 1 2 244.298 0.768 20 0 BCADLO Cc1c[nH]cc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031382889 642043532 /nfs/dbraw/zinc/04/35/32/642043532.db2.gz JJPFZVWJMPYOCS-SECBINFHSA-N 1 2 237.303 0.118 20 0 BCADLO Cn1ccc(C(=O)NC2C[NH+](CCCF)C2)n1 ZINC001031388263 642054518 /nfs/dbraw/zinc/05/45/18/642054518.db2.gz RRQHJKVSPOODSQ-UHFFFAOYSA-N 1 2 240.282 0.194 20 0 BCADLO CC(C)=CCN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476951 642198527 /nfs/dbraw/zinc/19/85/27/642198527.db2.gz MVOYVHOFTIQUAE-UHFFFAOYSA-N 1 2 248.330 0.650 20 0 BCADLO CCOc1cccnc1C(=O)NC1C[NH+](CC)C1 ZINC001031501268 642235268 /nfs/dbraw/zinc/23/52/68/642235268.db2.gz UYILZLGYNPIRRS-UHFFFAOYSA-N 1 2 249.314 0.914 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919982271 642416264 /nfs/dbraw/zinc/41/62/64/642416264.db2.gz SBDHJACZNANCRK-GHMZBOCLSA-N 1 2 242.367 0.282 20 0 BCADLO CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919982271 642416266 /nfs/dbraw/zinc/41/62/66/642416266.db2.gz SBDHJACZNANCRK-GHMZBOCLSA-N 1 2 242.367 0.282 20 0 BCADLO CC(C)OC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919989120 642420976 /nfs/dbraw/zinc/42/09/76/642420976.db2.gz ISBNFSTZINMORB-GHMZBOCLSA-N 1 2 243.351 0.755 20 0 BCADLO CC(C)OC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919989120 642420980 /nfs/dbraw/zinc/42/09/80/642420980.db2.gz ISBNFSTZINMORB-GHMZBOCLSA-N 1 2 243.351 0.755 20 0 BCADLO CCn1cnc2c1CC[N@H+](C[C@@H](O)COC)C2 ZINC000933254526 642426277 /nfs/dbraw/zinc/42/62/77/642426277.db2.gz QKEHVODGVGKUTD-SNVBAGLBSA-N 1 2 239.319 0.268 20 0 BCADLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)COC)C2 ZINC000933254526 642426283 /nfs/dbraw/zinc/42/62/83/642426283.db2.gz QKEHVODGVGKUTD-SNVBAGLBSA-N 1 2 239.319 0.268 20 0 BCADLO CCn1c[nH+]c2c1CCN(CC(=O)OC)C2 ZINC000933254968 642426615 /nfs/dbraw/zinc/42/66/15/642426615.db2.gz GCJKAZZLFJHDSZ-UHFFFAOYSA-N 1 2 223.276 0.434 20 0 BCADLO CC[C@@H](CO)Nc1cc(N(C)CCO)nc[nH+]1 ZINC000891398549 642467122 /nfs/dbraw/zinc/46/71/22/642467122.db2.gz CAMZNSZGBJOXAT-VIFPVBQESA-N 1 2 240.307 0.088 20 0 BCADLO CC[C@@H](CO)Nc1cc(N(C)CCO)[nH+]cn1 ZINC000891398549 642467130 /nfs/dbraw/zinc/46/71/30/642467130.db2.gz CAMZNSZGBJOXAT-VIFPVBQESA-N 1 2 240.307 0.088 20 0 BCADLO CC[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000891413286 642491990 /nfs/dbraw/zinc/49/19/90/642491990.db2.gz OXWGOYRNPNBORA-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO CC[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000891413286 642491992 /nfs/dbraw/zinc/49/19/92/642491992.db2.gz OXWGOYRNPNBORA-MRVPVSSYSA-N 1 2 210.281 0.725 20 0 BCADLO COC(=O)c1ncn(C[NH+]2CCCC2)n1 ZINC000921185015 642582927 /nfs/dbraw/zinc/58/29/27/642582927.db2.gz INGHNHWISULBDX-UHFFFAOYSA-N 1 2 210.237 0.118 20 0 BCADLO Cn1c[nH+]cc1CNC(=O)Nc1cnns1 ZINC000350457952 642658269 /nfs/dbraw/zinc/65/82/69/642658269.db2.gz IWLNSTOXVQYBFZ-UHFFFAOYSA-N 1 2 238.276 0.593 20 0 BCADLO C[C@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000305711043 642675879 /nfs/dbraw/zinc/67/58/79/642675879.db2.gz JUQJDGMSRKJBBX-JTQLQIEISA-N 1 2 245.282 0.869 20 0 BCADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1C[C@@H]1C ZINC000179514411 642722230 /nfs/dbraw/zinc/72/22/30/642722230.db2.gz VXSKKEKRSLFXEB-DCAQKATOSA-N 1 2 227.304 0.906 20 0 BCADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000652816152 642804442 /nfs/dbraw/zinc/80/44/42/642804442.db2.gz UWHRLIWIRLNTBO-NSHDSACASA-N 1 2 237.303 0.911 20 0 BCADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC001009787365 642838643 /nfs/dbraw/zinc/83/86/43/642838643.db2.gz PSYLZVAVZSMHRB-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO CCn1nncc1C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001009787365 642838645 /nfs/dbraw/zinc/83/86/45/642838645.db2.gz PSYLZVAVZSMHRB-JTQLQIEISA-N 1 2 237.307 0.008 20 0 BCADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC001009787367 642839499 /nfs/dbraw/zinc/83/94/99/642839499.db2.gz PSYLZVAVZSMHRB-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001009787367 642839502 /nfs/dbraw/zinc/83/95/02/642839502.db2.gz PSYLZVAVZSMHRB-SNVBAGLBSA-N 1 2 237.307 0.008 20 0 BCADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)C1=COCCO1 ZINC001010020656 642848522 /nfs/dbraw/zinc/84/85/22/642848522.db2.gz JMKBWPVMRDTFPA-SECBINFHSA-N 1 2 244.266 0.035 20 0 BCADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)C1=COCCO1 ZINC001010020656 642848524 /nfs/dbraw/zinc/84/85/24/642848524.db2.gz JMKBWPVMRDTFPA-SECBINFHSA-N 1 2 244.266 0.035 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCCO1 ZINC001010036080 642849550 /nfs/dbraw/zinc/84/95/50/642849550.db2.gz CZZNHZWNGPAOSC-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@H]1CCCO1 ZINC001010036080 642849561 /nfs/dbraw/zinc/84/95/61/642849561.db2.gz CZZNHZWNGPAOSC-VHSXEESVSA-N 1 2 230.283 0.325 20 0 BCADLO CN(CC(F)F)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000446383120 642854814 /nfs/dbraw/zinc/85/48/14/642854814.db2.gz RTGGWTNTZVOSDG-UHFFFAOYSA-N 1 2 244.245 0.393 20 0 BCADLO CCOCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181612949 642888645 /nfs/dbraw/zinc/88/86/45/642888645.db2.gz FRHRICLLWIVTOB-LLVKDONJSA-N 1 2 245.319 0.677 20 0 BCADLO Cc1nonc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069795282 642906911 /nfs/dbraw/zinc/90/69/11/642906911.db2.gz XTDKFKZNWQTLDN-QMMMGPOBSA-N 1 2 245.304 0.045 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCF)C2)O1 ZINC001015729107 642925578 /nfs/dbraw/zinc/92/55/78/642925578.db2.gz OHCJSKJQRTVUON-OUAUKWLOSA-N 1 2 244.310 0.714 20 0 BCADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCF)C2)O1 ZINC001015729107 642925583 /nfs/dbraw/zinc/92/55/83/642925583.db2.gz OHCJSKJQRTVUON-OUAUKWLOSA-N 1 2 244.310 0.714 20 0 BCADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCF)C2)n1 ZINC001015821452 642928146 /nfs/dbraw/zinc/92/81/46/642928146.db2.gz KYMJSIICSNYOQZ-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCF)C2)n1 ZINC001015821452 642928160 /nfs/dbraw/zinc/92/81/60/642928160.db2.gz KYMJSIICSNYOQZ-VIFPVBQESA-N 1 2 240.282 0.492 20 0 BCADLO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017787242 642977379 /nfs/dbraw/zinc/97/73/79/642977379.db2.gz PHGMAEAOSSOOOK-AOOOYVTPSA-N 1 2 249.318 0.422 20 0 BCADLO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017787242 642977386 /nfs/dbraw/zinc/97/73/86/642977386.db2.gz PHGMAEAOSSOOOK-AOOOYVTPSA-N 1 2 249.318 0.422 20 0 BCADLO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001018383809 642986050 /nfs/dbraw/zinc/98/60/50/642986050.db2.gz IXRGALFIAWLJGC-APPZFPTMSA-N 1 2 240.332 0.810 20 0 BCADLO Cc1nocc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031946423 643089367 /nfs/dbraw/zinc/08/93/67/643089367.db2.gz XIAHQYJSMJAIOS-UHFFFAOYSA-N 1 2 241.266 0.614 20 0 BCADLO C[C@H]1CC[N@H+](CCS(C)(=O)=O)CCO1 ZINC000932349606 643165306 /nfs/dbraw/zinc/16/53/06/643165306.db2.gz GZLVTNNOXONUBJ-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO C[C@H]1CC[N@@H+](CCS(C)(=O)=O)CCO1 ZINC000932349606 643165307 /nfs/dbraw/zinc/16/53/07/643165307.db2.gz GZLVTNNOXONUBJ-VIFPVBQESA-N 1 2 221.322 0.142 20 0 BCADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000941691957 643117194 /nfs/dbraw/zinc/11/71/94/643117194.db2.gz XTKYVYZSXOHLPF-ZYHUDNBSSA-N 1 2 248.330 0.823 20 0 BCADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000941691957 643117199 /nfs/dbraw/zinc/11/71/99/643117199.db2.gz XTKYVYZSXOHLPF-ZYHUDNBSSA-N 1 2 248.330 0.823 20 0 BCADLO C[C@@H](O)C(=O)NNc1cc[nH+]cc1Cl ZINC000185258118 643280986 /nfs/dbraw/zinc/28/09/86/643280986.db2.gz LIFCGZSIBCTXMW-RXMQYKEDSA-N 1 2 215.640 0.559 20 0 BCADLO C[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)F ZINC000082277863 643291822 /nfs/dbraw/zinc/29/18/22/643291822.db2.gz FSSZGCRMGJCMPL-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO C[N@H+]1CCC[C@H]1CNC(=O)C(F)(F)F ZINC000082277863 643291826 /nfs/dbraw/zinc/29/18/26/643291826.db2.gz FSSZGCRMGJCMPL-LURJTMIESA-N 1 2 210.199 0.759 20 0 BCADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@@H](O)C1CC1 ZINC000890719864 643280084 /nfs/dbraw/zinc/28/00/84/643280084.db2.gz KJHLPXOSCWCFJP-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@@H](O)C1CC1 ZINC000890719864 643280087 /nfs/dbraw/zinc/28/00/87/643280087.db2.gz KJHLPXOSCWCFJP-LLVKDONJSA-N 1 2 237.303 0.620 20 0 BCADLO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)F ZINC000082277884 643291452 /nfs/dbraw/zinc/29/14/52/643291452.db2.gz BQTVFVXQAHJKMJ-LURJTMIESA-N 1 2 222.210 0.902 20 0 BCADLO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000082277884 643291449 /nfs/dbraw/zinc/29/14/49/643291449.db2.gz BQTVFVXQAHJKMJ-LURJTMIESA-N 1 2 222.210 0.902 20 0 BCADLO CC(C)C1(C(=O)NCCc2[nH]cc[nH+]2)COC1 ZINC000932474604 643293082 /nfs/dbraw/zinc/29/30/82/643293082.db2.gz GFJPSHLBIUEOKJ-UHFFFAOYSA-N 1 2 237.303 0.741 20 0 BCADLO C[NH+]1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000082304199 643296359 /nfs/dbraw/zinc/29/63/59/643296359.db2.gz PNKZGRGKPQURPQ-UHFFFAOYSA-N 1 2 244.298 0.722 20 0 BCADLO c1cc(C[N@@H+]2CCC3(C2)OCCO3)on1 ZINC000306949291 643299471 /nfs/dbraw/zinc/29/94/71/643299471.db2.gz VMEPLFMSCJRIRP-UHFFFAOYSA-N 1 2 210.233 0.623 20 0 BCADLO c1cc(C[N@H+]2CCC3(C2)OCCO3)on1 ZINC000306949291 643299477 /nfs/dbraw/zinc/29/94/77/643299477.db2.gz VMEPLFMSCJRIRP-UHFFFAOYSA-N 1 2 210.233 0.623 20 0 BCADLO CCCc1noc(C[N@H+](CC)CCC(N)=O)n1 ZINC000932481826 643307347 /nfs/dbraw/zinc/30/73/47/643307347.db2.gz JTXLMLOYOHYDES-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO CCCc1noc(C[N@@H+](CC)CCC(N)=O)n1 ZINC000932481826 643307354 /nfs/dbraw/zinc/30/73/54/643307354.db2.gz JTXLMLOYOHYDES-UHFFFAOYSA-N 1 2 240.307 0.719 20 0 BCADLO CC[N@H+](CCC(N)=O)Cc1nc(C(C)C)no1 ZINC000932481854 643308774 /nfs/dbraw/zinc/30/87/74/643308774.db2.gz KGMWUMZUWQEJFG-UHFFFAOYSA-N 1 2 240.307 0.890 20 0 BCADLO CC[N@@H+](CCC(N)=O)Cc1nc(C(C)C)no1 ZINC000932481854 643308780 /nfs/dbraw/zinc/30/87/80/643308780.db2.gz KGMWUMZUWQEJFG-UHFFFAOYSA-N 1 2 240.307 0.890 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncs1 ZINC001032240179 643392049 /nfs/dbraw/zinc/39/20/49/643392049.db2.gz HOKHIQCUKNJNRJ-UWVGGRQHSA-N 1 2 237.328 0.948 20 0 BCADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncs1 ZINC001032240179 643392053 /nfs/dbraw/zinc/39/20/53/643392053.db2.gz HOKHIQCUKNJNRJ-UWVGGRQHSA-N 1 2 237.328 0.948 20 0 BCADLO CS/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000083087831 643409250 /nfs/dbraw/zinc/40/92/50/643409250.db2.gz JLKSOKBRCJPIRV-XCVCLJGOSA-N 1 2 244.360 0.654 20 0 BCADLO C[C@H]1CS(=O)(=O)C[C@H]1Nc1cccc[nH+]1 ZINC000288855582 643415116 /nfs/dbraw/zinc/41/51/16/643415116.db2.gz KCKKSISTRRFJSR-DTWKUNHWSA-N 1 2 226.301 0.927 20 0 BCADLO CCOC(=O)N1CC[NH+](CCC(C)=O)CC1 ZINC000121029360 643436982 /nfs/dbraw/zinc/43/69/82/643436982.db2.gz LUIJCLCXWQQMDT-UHFFFAOYSA-N 1 2 228.292 0.740 20 0 BCADLO COc1ncc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000733911674 643479142 /nfs/dbraw/zinc/47/91/42/643479142.db2.gz FZZUUEDHFZJQQQ-UHFFFAOYSA-N 1 2 247.258 0.112 20 0 BCADLO CC[N@@H+]1CCCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735050206 643522012 /nfs/dbraw/zinc/52/20/12/643522012.db2.gz OXXSUPYALSYNBE-QFYYESIMSA-N 1 2 246.376 0.356 20 0 BCADLO CC[N@H+]1CCCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735050206 643522018 /nfs/dbraw/zinc/52/20/18/643522018.db2.gz OXXSUPYALSYNBE-QFYYESIMSA-N 1 2 246.376 0.356 20 0 BCADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC000970916676 643612110 /nfs/dbraw/zinc/61/21/10/643612110.db2.gz TUWKIEKGLSOUHN-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC000970916676 643612116 /nfs/dbraw/zinc/61/21/16/643612116.db2.gz TUWKIEKGLSOUHN-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CC1=CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866974851 643660334 /nfs/dbraw/zinc/66/03/34/643660334.db2.gz SVSIAWDGZCYOMA-JTQLQIEISA-N 1 2 221.260 0.622 20 0 BCADLO CC(=O)NCC1=CC[N@H+](Cc2nccn2C)CC1 ZINC001000344675 643778406 /nfs/dbraw/zinc/77/84/06/643778406.db2.gz BZNPDAXNGLUWCV-UHFFFAOYSA-N 1 2 248.330 0.688 20 0 BCADLO CC(=O)NCC1=CC[N@@H+](Cc2nccn2C)CC1 ZINC001000344675 643778410 /nfs/dbraw/zinc/77/84/10/643778410.db2.gz BZNPDAXNGLUWCV-UHFFFAOYSA-N 1 2 248.330 0.688 20 0 BCADLO CCO[C@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000085986929 643876497 /nfs/dbraw/zinc/87/64/97/643876497.db2.gz YCZVSYLCNQHVPA-UWVGGRQHSA-N 1 2 224.260 0.888 20 0 BCADLO Cc1nn(C)cc1C(=O)OCc1c[nH+]cn1C ZINC000085987966 643880629 /nfs/dbraw/zinc/88/06/29/643880629.db2.gz PKFLSIPXSLEJAE-UHFFFAOYSA-N 1 2 234.259 0.819 20 0 BCADLO Cn1cc(CC(=O)OCc2c[nH+]cn2C)cn1 ZINC000085989144 643882472 /nfs/dbraw/zinc/88/24/72/643882472.db2.gz UXQVMABWJFLQNS-UHFFFAOYSA-N 1 2 234.259 0.440 20 0 BCADLO c1[nH]nnc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922276534 643942940 /nfs/dbraw/zinc/94/29/40/643942940.db2.gz KWTRAZUZNLWLKI-KKJSVHSVSA-N 1 2 234.303 0.708 20 0 BCADLO c1n[nH]nc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922276534 643942944 /nfs/dbraw/zinc/94/29/44/643942944.db2.gz KWTRAZUZNLWLKI-KKJSVHSVSA-N 1 2 234.303 0.708 20 0 BCADLO CCn1ncnc1C[NH2+][C@H](C)C(OC)OC ZINC000922314360 643966992 /nfs/dbraw/zinc/96/69/92/643966992.db2.gz JYRXBJPGICMOLF-MRVPVSSYSA-N 1 2 228.296 0.395 20 0 BCADLO CCn1ncc(C[NH2+][C@@H](C)C(OC)OC)n1 ZINC000922313561 643968448 /nfs/dbraw/zinc/96/84/48/643968448.db2.gz NRTORFYUWCVJCY-QMMMGPOBSA-N 1 2 228.296 0.395 20 0 BCADLO CN1C[C@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922325130 643969524 /nfs/dbraw/zinc/96/95/24/643969524.db2.gz XXVDBAANRJHEFF-SECBINFHSA-N 1 2 249.270 0.185 20 0 BCADLO Nc1[nH+]cccc1COC(=O)[C@H]1COCCO1 ZINC000922334559 643974559 /nfs/dbraw/zinc/97/45/59/643974559.db2.gz KGSROJMSVDMIAD-SECBINFHSA-N 1 2 238.243 0.122 20 0 BCADLO Nc1ccc(COC(=O)[C@@H]2CCC(=O)NC2)c[nH+]1 ZINC000922358762 643980165 /nfs/dbraw/zinc/98/01/65/643980165.db2.gz ZKWJYSADLXMIFE-SECBINFHSA-N 1 2 249.270 0.233 20 0 BCADLO Cn1cc(CC(=O)OCc2ccc(N)[nH+]c2)cn1 ZINC000922403001 643989326 /nfs/dbraw/zinc/98/93/26/643989326.db2.gz GOIBWIOHRKELOP-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO Nc1ccc(COC(=O)[C@@H](O)C2CC2)c[nH+]1 ZINC000922427793 643991935 /nfs/dbraw/zinc/99/19/35/643991935.db2.gz HFOQTNQRISQBPY-JTQLQIEISA-N 1 2 222.244 0.478 20 0 BCADLO CC[N@@H+]1CCO[C@H](C(=O)OCCOC2CC2)C1 ZINC000922493955 644006069 /nfs/dbraw/zinc/00/60/69/644006069.db2.gz WHKJLNMNTAIEKR-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO CC[N@H+]1CCO[C@H](C(=O)OCCOC2CC2)C1 ZINC000922493955 644006072 /nfs/dbraw/zinc/00/60/72/644006072.db2.gz WHKJLNMNTAIEKR-NSHDSACASA-N 1 2 243.303 0.429 20 0 BCADLO COc1nccnc1CNC[C@@H]1CC[N@@H+]1C ZINC000922576360 644030761 /nfs/dbraw/zinc/03/07/61/644030761.db2.gz PTXRAAVYMKNZGD-VIFPVBQESA-N 1 2 222.292 0.279 20 0 BCADLO COc1nccnc1CNC[C@@H]1CC[N@H+]1C ZINC000922576360 644030767 /nfs/dbraw/zinc/03/07/67/644030767.db2.gz PTXRAAVYMKNZGD-VIFPVBQESA-N 1 2 222.292 0.279 20 0 BCADLO Cn1ccc(CC(=O)OCc2ccc(N)[nH+]c2)n1 ZINC000922599546 644039362 /nfs/dbraw/zinc/03/93/62/644039362.db2.gz MGNCUQIVPIOWKE-UHFFFAOYSA-N 1 2 246.270 0.683 20 0 BCADLO Nc1ccc(COC(=O)[C@H]2CCCC(=O)N2)c[nH+]1 ZINC000922702433 644073841 /nfs/dbraw/zinc/07/38/41/644073841.db2.gz LAJKJTDSBUPYCZ-SECBINFHSA-N 1 2 249.270 0.376 20 0 BCADLO C[C@@](O)(C(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922728363 644080834 /nfs/dbraw/zinc/08/08/34/644080834.db2.gz IPEGIOYXDSRQGJ-LBPRGKRZSA-N 1 2 236.271 0.868 20 0 BCADLO CON(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192378059 644148295 /nfs/dbraw/zinc/14/82/95/644148295.db2.gz IKJRKQUWTBGXQN-NXEZZACHSA-N 1 2 245.323 0.298 20 0 BCADLO Nc1ncc(C[N@@H+]2CCCNC(=O)C2)s1 ZINC000086766326 644176505 /nfs/dbraw/zinc/17/65/05/644176505.db2.gz COWUQJRIMMOUEX-UHFFFAOYSA-N 1 2 226.305 0.047 20 0 BCADLO Nc1ncc(C[N@H+]2CCCNC(=O)C2)s1 ZINC000086766326 644176509 /nfs/dbraw/zinc/17/65/09/644176509.db2.gz COWUQJRIMMOUEX-UHFFFAOYSA-N 1 2 226.305 0.047 20 0 BCADLO Nc1ccc(COC(=O)C[C@@H]2CCNC2=O)c[nH+]1 ZINC000922935531 644193772 /nfs/dbraw/zinc/19/37/72/644193772.db2.gz SGNJOGFLEYCKFN-VIFPVBQESA-N 1 2 249.270 0.233 20 0 BCADLO CCn1nncc1C[NH2+]Cc1cncc(O)c1 ZINC000922975740 644206281 /nfs/dbraw/zinc/20/62/81/644206281.db2.gz KGWRQHDHHSDVLH-UHFFFAOYSA-N 1 2 233.275 0.688 20 0 BCADLO OCC(F)(F)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194708157 644339070 /nfs/dbraw/zinc/33/90/70/644339070.db2.gz GPMRTIMIRRLZNX-QMMMGPOBSA-N 1 2 207.220 0.896 20 0 BCADLO O=C(c1cnon1)N1CC[NH+](CCCF)CC1 ZINC000952331845 644375436 /nfs/dbraw/zinc/37/54/36/644375436.db2.gz IRWUEMDVPPKPKK-UHFFFAOYSA-N 1 2 242.254 0.187 20 0 BCADLO CCO[C@@H](C[N@H+]1CCNCC[NH2+]CC1)C1CC1 ZINC000923459758 644436028 /nfs/dbraw/zinc/43/60/28/644436028.db2.gz FPQVPTFQTSJODX-ZDUSSCGKSA-N 1 2 241.379 0.296 20 0 BCADLO CCO[C@@H](CN1CC[NH2+]CC[NH2+]CC1)C1CC1 ZINC000923459758 644436036 /nfs/dbraw/zinc/43/60/36/644436036.db2.gz FPQVPTFQTSJODX-ZDUSSCGKSA-N 1 2 241.379 0.296 20 0 BCADLO Cn1c[nH+]cc1COC(=O)c1cc(C#N)cn1C ZINC000085988343 644453416 /nfs/dbraw/zinc/45/34/16/644453416.db2.gz QIVOBQOFOSBEIF-UHFFFAOYSA-N 1 2 244.254 0.987 20 0 BCADLO OCC[NH+]1CCN(C/C(Cl)=C/Cl)CC1 ZINC000086001385 644454984 /nfs/dbraw/zinc/45/49/84/644454984.db2.gz DFJFCVGLZCTPBI-CLFYSBASSA-N 1 2 239.146 0.915 20 0 BCADLO CON(C)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000091514418 644627723 /nfs/dbraw/zinc/62/77/23/644627723.db2.gz KKFWVHNCMCLTHN-UHFFFAOYSA-N 1 2 243.332 0.988 20 0 BCADLO C[C@@H](c1ccncc1)[N@H+](C)CCS(N)(=O)=O ZINC000091988181 644645068 /nfs/dbraw/zinc/64/50/68/644645068.db2.gz QEIWSKVFGXHUAP-VIFPVBQESA-N 1 2 243.332 0.363 20 0 BCADLO C[C@@H](c1ccncc1)[N@@H+](C)CCS(N)(=O)=O ZINC000091988181 644645070 /nfs/dbraw/zinc/64/50/70/644645070.db2.gz QEIWSKVFGXHUAP-VIFPVBQESA-N 1 2 243.332 0.363 20 0 BCADLO CC(C)(C)[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000765032421 644661772 /nfs/dbraw/zinc/66/17/72/644661772.db2.gz FODBAQMFPFTPNG-SECBINFHSA-N 1 2 225.292 0.475 20 0 BCADLO Cn1nccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000093013541 644675263 /nfs/dbraw/zinc/67/52/63/644675263.db2.gz GUQLNYGZAVWMHL-UHFFFAOYSA-N 1 2 223.276 0.369 20 0 BCADLO Cn1nccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000093013541 644675265 /nfs/dbraw/zinc/67/52/65/644675265.db2.gz GUQLNYGZAVWMHL-UHFFFAOYSA-N 1 2 223.276 0.369 20 0 BCADLO Cc1ncsc1C[N@@H+]1CCCNC(=O)C1 ZINC000769115063 644678772 /nfs/dbraw/zinc/67/87/72/644678772.db2.gz NENBKQMZFHWSPZ-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO Cc1ncsc1C[N@H+]1CCCNC(=O)C1 ZINC000769115063 644678776 /nfs/dbraw/zinc/67/87/76/644678776.db2.gz NENBKQMZFHWSPZ-UHFFFAOYSA-N 1 2 225.317 0.773 20 0 BCADLO CC[C@H]([NH2+][C@H]1CCOC1=O)[C@@H]1CCCO1 ZINC000248584024 644688614 /nfs/dbraw/zinc/68/86/14/644688614.db2.gz JFYRPWPTFMSFFP-GUBZILKMSA-N 1 2 213.277 0.849 20 0 BCADLO CC[C@H](C(=O)N(C)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000773753718 644696251 /nfs/dbraw/zinc/69/62/51/644696251.db2.gz WXSSYQHLWDXYDG-GHMZBOCLSA-N 1 2 244.335 0.896 20 0 BCADLO CC[C@H](C(=O)N(C)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000773753718 644696257 /nfs/dbraw/zinc/69/62/57/644696257.db2.gz WXSSYQHLWDXYDG-GHMZBOCLSA-N 1 2 244.335 0.896 20 0 BCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ncccn1 ZINC000779214252 644710480 /nfs/dbraw/zinc/71/04/80/644710480.db2.gz SQLHNXGGMVMPAU-VIFPVBQESA-N 1 2 243.270 0.418 20 0 BCADLO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C[C@@H]1C ZINC000249140179 644714442 /nfs/dbraw/zinc/71/44/42/644714442.db2.gz VZQYGSQLAIPXNY-AEJSXWLSSA-N 1 2 241.287 0.433 20 0 BCADLO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C[C@@H]1C ZINC000249140179 644714445 /nfs/dbraw/zinc/71/44/45/644714445.db2.gz VZQYGSQLAIPXNY-AEJSXWLSSA-N 1 2 241.287 0.433 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000249600176 644729004 /nfs/dbraw/zinc/72/90/04/644729004.db2.gz XXVDVKUZSDQNAC-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000249600176 644729009 /nfs/dbraw/zinc/72/90/09/644729009.db2.gz XXVDVKUZSDQNAC-DGCLKSJQSA-N 1 2 248.326 0.883 20 0 BCADLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782625360 644744117 /nfs/dbraw/zinc/74/41/17/644744117.db2.gz LGZAECNCJREUBX-PWSUYJOCSA-N 1 2 221.304 0.717 20 0 BCADLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782625360 644744124 /nfs/dbraw/zinc/74/41/24/644744124.db2.gz LGZAECNCJREUBX-PWSUYJOCSA-N 1 2 221.304 0.717 20 0 BCADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000783234085 644751868 /nfs/dbraw/zinc/75/18/68/644751868.db2.gz IAQMYQDOSQNCJB-SNVBAGLBSA-N 1 2 224.260 0.853 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000957967660 644763505 /nfs/dbraw/zinc/76/35/05/644763505.db2.gz NBCGYQKLVZPRLF-IAZYJMLFSA-N 1 2 235.287 0.631 20 0 BCADLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000957967660 644763510 /nfs/dbraw/zinc/76/35/10/644763510.db2.gz NBCGYQKLVZPRLF-IAZYJMLFSA-N 1 2 235.287 0.631 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000957990373 644766726 /nfs/dbraw/zinc/76/67/26/644766726.db2.gz GNXZWQBCFKXRAS-JZYVYDRUSA-N 1 2 237.328 0.709 20 0 BCADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000957990373 644766734 /nfs/dbraw/zinc/76/67/34/644766734.db2.gz GNXZWQBCFKXRAS-JZYVYDRUSA-N 1 2 237.328 0.709 20 0 BCADLO CCn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)n1 ZINC000957995510 644768658 /nfs/dbraw/zinc/76/86/58/644768658.db2.gz FIOIYXWSIUAURJ-ITGUQSILSA-N 1 2 248.330 0.469 20 0 BCADLO CCn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)n1 ZINC000957995510 644768662 /nfs/dbraw/zinc/76/86/62/644768662.db2.gz FIOIYXWSIUAURJ-ITGUQSILSA-N 1 2 248.330 0.469 20 0 BCADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)C1CC1 ZINC000958022501 644771171 /nfs/dbraw/zinc/77/11/71/644771171.db2.gz FKIGMANANXAYAO-URLYPYJESA-N 1 2 248.286 0.026 20 0 BCADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)C1CC1 ZINC000958022501 644771176 /nfs/dbraw/zinc/77/11/76/644771176.db2.gz FKIGMANANXAYAO-URLYPYJESA-N 1 2 248.286 0.026 20 0 BCADLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C)CCOC1 ZINC000793243819 644801876 /nfs/dbraw/zinc/80/18/76/644801876.db2.gz WMBNGPFDDAPLRT-LBPRGKRZSA-N 1 2 238.287 0.932 20 0 BCADLO Cn1c[nH+]cc1COC(=O)CC1OCCO1 ZINC000797107131 644817414 /nfs/dbraw/zinc/81/74/14/644817414.db2.gz YWIRFKFSNUNCKI-UHFFFAOYSA-N 1 2 226.232 0.226 20 0 BCADLO Cc1[nH]nc(NC(=O)Cc2c[nH+]cn2C)c1C ZINC000806631569 644855035 /nfs/dbraw/zinc/85/50/35/644855035.db2.gz OBRXEXUHMZESGQ-UHFFFAOYSA-N 1 2 233.275 0.941 20 0 BCADLO O=C(CCc1[nH]cc[nH+]1)NOCC(F)(F)F ZINC000807093712 644857605 /nfs/dbraw/zinc/85/76/05/644857605.db2.gz NORBQMTUUDQLJD-UHFFFAOYSA-N 1 2 237.181 0.952 20 0 BCADLO CC[NH2+]Cc1noc([C@H](C)CC(=O)OC)n1 ZINC000843145264 644865315 /nfs/dbraw/zinc/86/53/15/644865315.db2.gz HMAGYGPAWBMHAE-SSDOTTSWSA-N 1 2 227.264 0.846 20 0 BCADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000304261755 644883601 /nfs/dbraw/zinc/88/36/01/644883601.db2.gz DPJGMXPLZCQULA-JTQLQIEISA-N 1 2 215.293 0.642 20 0 BCADLO CC(C)COC(=O)C[N@H+]1CCC[C@H]1CO ZINC000304261755 644883607 /nfs/dbraw/zinc/88/36/07/644883607.db2.gz DPJGMXPLZCQULA-JTQLQIEISA-N 1 2 215.293 0.642 20 0 BCADLO CCCOC(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000304345586 644895216 /nfs/dbraw/zinc/89/52/16/644895216.db2.gz UKTYYGCKULGBJK-VIFPVBQESA-N 1 2 215.293 0.785 20 0 BCADLO CN(CC(C)(C)O)C(=O)CCCn1cc[nH+]c1 ZINC000304599167 644919214 /nfs/dbraw/zinc/91/92/14/644919214.db2.gz AYUCADLUWGJBPC-UHFFFAOYSA-N 1 2 239.319 0.893 20 0 BCADLO O=C(/C=C/[C@@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000819102703 645005076 /nfs/dbraw/zinc/00/50/76/645005076.db2.gz OMVAMLXSONBCEL-UFFNRZRYSA-N 1 2 235.287 0.735 20 0 BCADLO CCn1nc(C)c(C[N@H+](CC)[C@@H](C)CO)n1 ZINC000824439488 645055640 /nfs/dbraw/zinc/05/56/40/645055640.db2.gz LRYOQUQFBYTOSP-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CCn1nc(C)c(C[N@@H+](CC)[C@@H](C)CO)n1 ZINC000824439488 645055648 /nfs/dbraw/zinc/05/56/48/645055648.db2.gz LRYOQUQFBYTOSP-VIFPVBQESA-N 1 2 226.324 0.809 20 0 BCADLO CC(=O)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830872954 645124932 /nfs/dbraw/zinc/12/49/32/645124932.db2.gz HFYMVIOJWPPPTM-ZETCQYMHSA-N 1 2 209.249 0.436 20 0 BCADLO Cc1cc(NC(=O)[C@H]2NC(=O)O[C@@H]2C)cc[nH+]1 ZINC000841393810 645209191 /nfs/dbraw/zinc/20/91/91/645209191.db2.gz SJWGIIJPPORNMA-APPZFPTMSA-N 1 2 235.243 0.247 20 0 BCADLO COc1ncccc1CO[NH+]=C(N)CCO ZINC000842041145 645239348 /nfs/dbraw/zinc/23/93/48/645239348.db2.gz VYNPNCDHDASQAB-UHFFFAOYSA-N 1 2 225.248 0.471 20 0 BCADLO CCN1C[C@@H]([NH2+][C@@H](C)c2cnn(C)n2)CC1=O ZINC000926526653 645254930 /nfs/dbraw/zinc/25/49/30/645254930.db2.gz NHAULMIMFCVXSW-IUCAKERBSA-N 1 2 237.307 0.087 20 0 BCADLO CCN1C[C@@H]([NH2+][C@H](C)c2nonc2C)CC1=O ZINC000926529857 645258332 /nfs/dbraw/zinc/25/83/32/645258332.db2.gz YVWQYLHSVGJMFI-APPZFPTMSA-N 1 2 238.291 0.649 20 0 BCADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926574639 645291560 /nfs/dbraw/zinc/29/15/60/645291560.db2.gz FRHYJJLLLQBTOA-AATLWQCWSA-N 1 2 238.291 0.287 20 0 BCADLO CC[C@H]1CCC[N@@H+]1Cn1nc(C)n(C)c1=O ZINC000844692413 645344407 /nfs/dbraw/zinc/34/44/07/645344407.db2.gz YQRXMCVUMLLREY-JTQLQIEISA-N 1 2 224.308 0.722 20 0 BCADLO CC[C@H]1CCC[N@H+]1Cn1nc(C)n(C)c1=O ZINC000844692413 645344412 /nfs/dbraw/zinc/34/44/12/645344412.db2.gz YQRXMCVUMLLREY-JTQLQIEISA-N 1 2 224.308 0.722 20 0 BCADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c(=O)n1C ZINC000844693634 645344699 /nfs/dbraw/zinc/34/46/99/645344699.db2.gz GFUAIIMSENMNNT-DTWKUNHWSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c(=O)n1C ZINC000844693634 645344704 /nfs/dbraw/zinc/34/47/04/645344704.db2.gz GFUAIIMSENMNNT-DTWKUNHWSA-N 1 2 224.308 0.578 20 0 BCADLO Cc1nonc1CC(=O)NCCCn1cc[nH+]c1 ZINC000845072137 645353348 /nfs/dbraw/zinc/35/33/48/645353348.db2.gz XDTAGRLFURGWOU-UHFFFAOYSA-N 1 2 249.274 0.324 20 0 BCADLO C[C@@H]1COC[C@H]1[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000926826615 645446417 /nfs/dbraw/zinc/44/64/17/645446417.db2.gz ZBOLZFWYMPEWRA-HLTSFMKQSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@@H]1COC[C@H]1[N@H+]1CCO[C@H](C(F)F)C1 ZINC000926826615 645446423 /nfs/dbraw/zinc/44/64/23/645446423.db2.gz ZBOLZFWYMPEWRA-HLTSFMKQSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@@H]1COC[C@H]1[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000926826618 645446539 /nfs/dbraw/zinc/44/65/39/645446539.db2.gz ZBOLZFWYMPEWRA-IWSPIJDZSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@@H]1COC[C@H]1[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000926826618 645446544 /nfs/dbraw/zinc/44/65/44/645446544.db2.gz ZBOLZFWYMPEWRA-IWSPIJDZSA-N 1 2 221.247 0.987 20 0 BCADLO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ncco1 ZINC000926861721 645459061 /nfs/dbraw/zinc/45/90/61/645459061.db2.gz PJMVPCZZIBUGRJ-CIUDSAMLSA-N 1 2 244.316 0.901 20 0 BCADLO CC1(C(N)=O)C[NH+](Cc2cccc(F)n2)C1 ZINC000852203594 645473239 /nfs/dbraw/zinc/47/32/39/645473239.db2.gz FTEPIPBMNNQDPC-UHFFFAOYSA-N 1 2 223.251 0.528 20 0 BCADLO C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C)c2ncnn21 ZINC000926887897 645475268 /nfs/dbraw/zinc/47/52/68/645475268.db2.gz FEZGHWXKVRGITL-OPRDCNLKSA-N 1 2 221.308 0.578 20 0 BCADLO C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C)c2ncnn21 ZINC000926887897 645475280 /nfs/dbraw/zinc/47/52/80/645475280.db2.gz FEZGHWXKVRGITL-OPRDCNLKSA-N 1 2 221.308 0.578 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@@H]1CC[N@@H+]1C ZINC000926894736 645479010 /nfs/dbraw/zinc/47/90/10/645479010.db2.gz PPINHVDPJGESLZ-APPZFPTMSA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nonc1[C@@H](C)NC[C@@H]1CC[N@H+]1C ZINC000926894736 645479014 /nfs/dbraw/zinc/47/90/14/645479014.db2.gz PPINHVDPJGESLZ-APPZFPTMSA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@@H]1CC[N@@H+]1C ZINC000926894737 645480773 /nfs/dbraw/zinc/48/07/73/645480773.db2.gz PPINHVDPJGESLZ-CBAPKCEASA-N 1 2 210.281 0.733 20 0 BCADLO Cc1nonc1[C@H](C)NC[C@@H]1CC[N@H+]1C ZINC000926894737 645480778 /nfs/dbraw/zinc/48/07/78/645480778.db2.gz PPINHVDPJGESLZ-CBAPKCEASA-N 1 2 210.281 0.733 20 0 BCADLO Cc1cc(NC(=O)[C@@H](O)c2cnn(C)c2)cc[nH+]1 ZINC000857451243 645565227 /nfs/dbraw/zinc/56/52/27/645565227.db2.gz ZFYBDAGYAPUNMV-NSHDSACASA-N 1 2 246.270 0.218 20 0 BCADLO Cn1c[nH+]cc1CCNC(=O)CC1(O)CCC1 ZINC000857487154 645576366 /nfs/dbraw/zinc/57/63/66/645576366.db2.gz YMDQEYPYFDIPHM-UHFFFAOYSA-N 1 2 237.303 0.384 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnns1 ZINC000857492169 645577408 /nfs/dbraw/zinc/57/74/08/645577408.db2.gz JRBXODWJGOKLEB-UHFFFAOYSA-N 1 2 209.234 0.442 20 0 BCADLO COc1cc(NC(=O)Cc2[nH]cc[nH+]2)ccn1 ZINC000857509670 645582145 /nfs/dbraw/zinc/58/21/45/645582145.db2.gz PIIRTNSRDDLRPW-UHFFFAOYSA-N 1 2 232.243 0.995 20 0 BCADLO CCC1(C(=O)NCCc2cn(C)c[nH+]2)COC1 ZINC000857534461 645602157 /nfs/dbraw/zinc/60/21/57/645602157.db2.gz MKKHKPYHOUDABW-UHFFFAOYSA-N 1 2 237.303 0.505 20 0 BCADLO CC[C@H](OC)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777578 645652669 /nfs/dbraw/zinc/65/26/69/645652669.db2.gz XDOGMLOCPARZNU-VIFPVBQESA-N 1 2 223.276 0.705 20 0 BCADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CO ZINC000857729928 645666406 /nfs/dbraw/zinc/66/64/06/645666406.db2.gz ISCQUEFDBJTPIV-NXEZZACHSA-N 1 2 237.303 0.429 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000928544481 645799919 /nfs/dbraw/zinc/79/99/19/645799919.db2.gz YLKIRCFQPGBZCY-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000928544481 645799926 /nfs/dbraw/zinc/79/99/26/645799926.db2.gz YLKIRCFQPGBZCY-JTQLQIEISA-N 1 2 237.303 0.980 20 0 BCADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000928543917 645800129 /nfs/dbraw/zinc/80/01/29/645800129.db2.gz NRTITYBJLVNODJ-VIFPVBQESA-N 1 2 223.276 0.590 20 0 BCADLO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555007 645813097 /nfs/dbraw/zinc/81/30/97/645813097.db2.gz MXFLNDRARMSOGS-KOLCDFICSA-N 1 2 236.319 0.409 20 0 BCADLO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555007 645813101 /nfs/dbraw/zinc/81/31/01/645813101.db2.gz MXFLNDRARMSOGS-KOLCDFICSA-N 1 2 236.319 0.409 20 0 BCADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccccc1 ZINC000928557935 645815567 /nfs/dbraw/zinc/81/55/67/645815567.db2.gz VKBHUTUODOEXGK-LLVKDONJSA-N 1 2 232.283 0.690 20 0 BCADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)c1ccccc1 ZINC000928557935 645815571 /nfs/dbraw/zinc/81/55/71/645815571.db2.gz VKBHUTUODOEXGK-LLVKDONJSA-N 1 2 232.283 0.690 20 0 BCADLO CCc1nnsc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928565964 645828043 /nfs/dbraw/zinc/82/80/43/645828043.db2.gz BZGMBMXFZRKBAF-SSDOTTSWSA-N 1 2 240.332 0.534 20 0 BCADLO CCc1nnsc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928565964 645828047 /nfs/dbraw/zinc/82/80/47/645828047.db2.gz BZGMBMXFZRKBAF-SSDOTTSWSA-N 1 2 240.332 0.534 20 0 BCADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@@H](C)C1 ZINC000946945350 645829040 /nfs/dbraw/zinc/82/90/40/645829040.db2.gz AJCXPDYRLVITOP-WPRPVWTQSA-N 1 2 238.291 0.559 20 0 BCADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@@H](C)C1 ZINC000946945350 645829042 /nfs/dbraw/zinc/82/90/42/645829042.db2.gz AJCXPDYRLVITOP-WPRPVWTQSA-N 1 2 238.291 0.559 20 0 BCADLO C[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928901326 645884091 /nfs/dbraw/zinc/88/40/91/645884091.db2.gz AARAOGXSGDJOAQ-FOGDFJRCSA-N 1 2 249.314 0.597 20 0 BCADLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ncn(C)n2)C1 ZINC000886559939 645888990 /nfs/dbraw/zinc/88/89/90/645888990.db2.gz JLSLCHLVVRPVFU-IUCAKERBSA-N 1 2 238.291 0.246 20 0 BCADLO C[C@@H]1COC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000928915397 645892991 /nfs/dbraw/zinc/89/29/91/645892991.db2.gz RWOJMHHGBWEVSP-HTQZYQBOSA-N 1 2 209.249 0.103 20 0 BCADLO c1nc2c([nH]1)C[N@H+](CCO[C@@H]1CCOC1)CC2 ZINC000929069552 645933274 /nfs/dbraw/zinc/93/32/74/645933274.db2.gz LXUYRFWCCSWYIA-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO c1nc2c([nH]1)C[N@@H+](CCO[C@@H]1CCOC1)CC2 ZINC000929069552 645933279 /nfs/dbraw/zinc/93/32/79/645933279.db2.gz LXUYRFWCCSWYIA-SNVBAGLBSA-N 1 2 237.303 0.573 20 0 BCADLO COCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929101945 645939783 /nfs/dbraw/zinc/93/97/83/645939783.db2.gz LUICXZSSMWEARP-UHFFFAOYSA-N 1 2 219.244 0.939 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@H](C)C1 ZINC000929109255 645946564 /nfs/dbraw/zinc/94/65/64/645946564.db2.gz LMNKEHLPRRQEMJ-ABRRARGCSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@H](C)C1 ZINC000929109255 645946568 /nfs/dbraw/zinc/94/65/68/645946568.db2.gz LMNKEHLPRRQEMJ-ABRRARGCSA-N 1 2 213.277 0.826 20 0 BCADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930302765 645949200 /nfs/dbraw/zinc/94/92/00/645949200.db2.gz AAFXKDPFYNNKLQ-XWLWVQCSSA-N 1 2 243.303 0.284 20 0 BCADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930302765 645949204 /nfs/dbraw/zinc/94/92/04/645949204.db2.gz AAFXKDPFYNNKLQ-XWLWVQCSSA-N 1 2 243.303 0.284 20 0 BCADLO CON1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000929127041 645949685 /nfs/dbraw/zinc/94/96/85/645949685.db2.gz YQYPJYGAVAOULN-AEJSXWLSSA-N 1 2 228.292 0.258 20 0 BCADLO CON1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000929127041 645949689 /nfs/dbraw/zinc/94/96/89/645949689.db2.gz YQYPJYGAVAOULN-AEJSXWLSSA-N 1 2 228.292 0.258 20 0 BCADLO COC/C(C)=C/C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000929204029 646003108 /nfs/dbraw/zinc/00/31/08/646003108.db2.gz NIZWCUVXZFCEHU-INJWIWPUSA-N 1 2 247.360 0.698 20 0 BCADLO COC/C(C)=C/C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000929204029 646003112 /nfs/dbraw/zinc/00/31/12/646003112.db2.gz NIZWCUVXZFCEHU-INJWIWPUSA-N 1 2 247.360 0.698 20 0 BCADLO Cc1cc(C[N@@H+](C)C[C@@H](O)[C@H](C)O)no1 ZINC000929256283 646035469 /nfs/dbraw/zinc/03/54/69/646035469.db2.gz AJVUDFAWLDITEF-WCBMZHEXSA-N 1 2 214.265 0.157 20 0 BCADLO Cc1cc(C[N@H+](C)C[C@@H](O)[C@H](C)O)no1 ZINC000929256283 646035471 /nfs/dbraw/zinc/03/54/71/646035471.db2.gz AJVUDFAWLDITEF-WCBMZHEXSA-N 1 2 214.265 0.157 20 0 BCADLO OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000929253519 646037439 /nfs/dbraw/zinc/03/74/39/646037439.db2.gz DRSXPXSYOLWXSN-STQMWFEESA-N 1 2 237.299 0.413 20 0 BCADLO OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000929253519 646037442 /nfs/dbraw/zinc/03/74/42/646037442.db2.gz DRSXPXSYOLWXSN-STQMWFEESA-N 1 2 237.299 0.413 20 0 BCADLO CCC[N@H+](CCc1nnc(C)o1)CC(=O)OC ZINC000929295959 646069098 /nfs/dbraw/zinc/06/90/98/646069098.db2.gz LYRVHTYQVCIUHM-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CCC[N@@H+](CCc1nnc(C)o1)CC(=O)OC ZINC000929295959 646069100 /nfs/dbraw/zinc/06/91/00/646069100.db2.gz LYRVHTYQVCIUHM-UHFFFAOYSA-N 1 2 241.291 0.806 20 0 BCADLO CC(=O)NCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929331904 646084001 /nfs/dbraw/zinc/08/40/01/646084001.db2.gz MHBCTVLWQRDLMK-UHFFFAOYSA-N 1 2 246.270 0.429 20 0 BCADLO O=[S@@](CC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000929409369 646109442 /nfs/dbraw/zinc/10/94/42/646109442.db2.gz DRGLIHXDXMELRG-HNNXBMFYSA-N 1 2 245.266 0.977 20 0 BCADLO O=[S@@](CC[N@H+]1CCCOCC1)C(F)(F)F ZINC000929409369 646109447 /nfs/dbraw/zinc/10/94/47/646109447.db2.gz DRGLIHXDXMELRG-HNNXBMFYSA-N 1 2 245.266 0.977 20 0 BCADLO Cc1cccc([C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000929486214 646143304 /nfs/dbraw/zinc/14/33/04/646143304.db2.gz BNZBIOOWOGGZMQ-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO Cc1cccc([C@H](O)C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000929486214 646143308 /nfs/dbraw/zinc/14/33/08/646143308.db2.gz BNZBIOOWOGGZMQ-WCQYABFASA-N 1 2 248.326 0.849 20 0 BCADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1nnc(C)o1 ZINC000929520353 646170248 /nfs/dbraw/zinc/17/02/48/646170248.db2.gz BLBGVVARZVURIZ-VIFPVBQESA-N 1 2 239.275 0.558 20 0 BCADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1nnc(C)o1 ZINC000929520353 646170255 /nfs/dbraw/zinc/17/02/55/646170255.db2.gz BLBGVVARZVURIZ-VIFPVBQESA-N 1 2 239.275 0.558 20 0 BCADLO COC[C@@H](CCO)[NH2+][C@@H](C)c1ncco1 ZINC000925113394 646189111 /nfs/dbraw/zinc/18/91/11/646189111.db2.gz WVVMVSNWBFRUCU-DTWKUNHWSA-N 1 2 214.265 0.723 20 0 BCADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929623516 646208025 /nfs/dbraw/zinc/20/80/25/646208025.db2.gz COONVRVMLABFNS-ZMLRMANQSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929623516 646208028 /nfs/dbraw/zinc/20/80/28/646208028.db2.gz COONVRVMLABFNS-ZMLRMANQSA-N 1 2 237.303 0.645 20 0 BCADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)OC ZINC000925594633 646350639 /nfs/dbraw/zinc/35/06/39/646350639.db2.gz LJZSKVNAHOCXBD-SNVBAGLBSA-N 1 2 245.323 0.300 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)[C@H](C)O ZINC000929836724 646351431 /nfs/dbraw/zinc/35/14/31/646351431.db2.gz RNPSWNHRDIQCTE-GUBZILKMSA-N 1 2 233.308 0.000 20 0 BCADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000929836724 646351434 /nfs/dbraw/zinc/35/14/34/646351434.db2.gz RNPSWNHRDIQCTE-GUBZILKMSA-N 1 2 233.308 0.000 20 0 BCADLO C[C@H]1C[C@@H](NCC[NH+]2CCC2)c2ncnn21 ZINC000925603521 646354546 /nfs/dbraw/zinc/35/45/46/646354546.db2.gz CEUHMQIHAZCLDI-VHSXEESVSA-N 1 2 221.308 0.579 20 0 BCADLO COC(=O)C[N@H+](C[C@@H](O)C1(O)CCC1)C(C)C ZINC000929892912 646370867 /nfs/dbraw/zinc/37/08/67/646370867.db2.gz NCHAUCSFSUIMOH-SNVBAGLBSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)C[N@@H+](C[C@@H](O)C1(O)CCC1)C(C)C ZINC000929892912 646370868 /nfs/dbraw/zinc/37/08/68/646370868.db2.gz NCHAUCSFSUIMOH-SNVBAGLBSA-N 1 2 245.319 0.146 20 0 BCADLO COC(=O)/C=C(/C)C[N@@H+]1CCC2(C1)OCCO2 ZINC000929964388 646378849 /nfs/dbraw/zinc/37/88/49/646378849.db2.gz KNZGBAHQJRPRPN-YFHOEESVSA-N 1 2 241.287 0.555 20 0 BCADLO COC(=O)/C=C(/C)C[N@H+]1CCC2(C1)OCCO2 ZINC000929964388 646378853 /nfs/dbraw/zinc/37/88/53/646378853.db2.gz KNZGBAHQJRPRPN-YFHOEESVSA-N 1 2 241.287 0.555 20 0 BCADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C1(O)CCC1 ZINC000929973931 646381515 /nfs/dbraw/zinc/38/15/15/646381515.db2.gz ORYZREYBTWNVKT-VHSXEESVSA-N 1 2 245.319 0.146 20 0 BCADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C1(O)CCC1 ZINC000929973931 646381520 /nfs/dbraw/zinc/38/15/20/646381520.db2.gz ORYZREYBTWNVKT-VHSXEESVSA-N 1 2 245.319 0.146 20 0 BCADLO CON1CC[C@@H]([N@H+](C)Cc2cn[nH]c2)C1=O ZINC000930014258 646394571 /nfs/dbraw/zinc/39/45/71/646394571.db2.gz QZIAJLKKSHQDMC-SECBINFHSA-N 1 2 224.264 0.004 20 0 BCADLO CON1CC[C@@H]([N@@H+](C)Cc2cn[nH]c2)C1=O ZINC000930014258 646394575 /nfs/dbraw/zinc/39/45/75/646394575.db2.gz QZIAJLKKSHQDMC-SECBINFHSA-N 1 2 224.264 0.004 20 0 BCADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930121562 646445465 /nfs/dbraw/zinc/44/54/65/646445465.db2.gz OXNFQMPKPGVKGF-GARJFASQSA-N 1 2 237.303 0.645 20 0 BCADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930121562 646445472 /nfs/dbraw/zinc/44/54/72/646445472.db2.gz OXNFQMPKPGVKGF-GARJFASQSA-N 1 2 237.303 0.645 20 0 BCADLO O[C@@H](C[N@@H+]1CCC[C@H]1C(F)F)C1(O)CCC1 ZINC000930129322 646452680 /nfs/dbraw/zinc/45/26/80/646452680.db2.gz NVBASPBABAQKHZ-IUCAKERBSA-N 1 2 235.274 0.992 20 0 BCADLO O[C@@H](C[N@H+]1CCC[C@H]1C(F)F)C1(O)CCC1 ZINC000930129322 646452683 /nfs/dbraw/zinc/45/26/83/646452683.db2.gz NVBASPBABAQKHZ-IUCAKERBSA-N 1 2 235.274 0.992 20 0 BCADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C(F)F ZINC000925769906 646471353 /nfs/dbraw/zinc/47/13/53/646471353.db2.gz HCRDMMHCXJYHBN-BWZBUEFSSA-N 1 2 236.262 0.523 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000925822214 646495397 /nfs/dbraw/zinc/49/53/97/646495397.db2.gz KAEAAZRQMWIJEO-RMLUDKJBSA-N 1 2 218.322 0.582 20 0 BCADLO CC[S@@](C)(=O)=NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000925822214 646495400 /nfs/dbraw/zinc/49/54/00/646495400.db2.gz KAEAAZRQMWIJEO-RMLUDKJBSA-N 1 2 218.322 0.582 20 0 BCADLO CCS(=O)(CC)=NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000925881531 646531143 /nfs/dbraw/zinc/53/11/43/646531143.db2.gz CJEQADGPPNYREL-VIFPVBQESA-N 1 2 232.349 0.973 20 0 BCADLO CCS(=O)(CC)=NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000925881531 646531146 /nfs/dbraw/zinc/53/11/46/646531146.db2.gz CJEQADGPPNYREL-VIFPVBQESA-N 1 2 232.349 0.973 20 0 BCADLO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2ncnn21 ZINC000926108968 646575576 /nfs/dbraw/zinc/57/55/76/646575576.db2.gz DSPMIULPTHKVET-WCBMZHEXSA-N 1 2 249.318 0.400 20 0 BCADLO C[C@@H]([NH2+]CC(F)(F)CO)C(C)(C)CO ZINC000926193384 646592298 /nfs/dbraw/zinc/59/22/98/646592298.db2.gz QAXYPURONQOJOX-SSDOTTSWSA-N 1 2 211.252 0.611 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926210452 646595148 /nfs/dbraw/zinc/59/51/48/646595148.db2.gz QDKVWAXDNSKKNH-BDAKNGLRSA-N 1 2 237.307 0.352 20 0 BCADLO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926210454 646595852 /nfs/dbraw/zinc/59/58/52/646595852.db2.gz QDKVWAXDNSKKNH-IUCAKERBSA-N 1 2 237.307 0.352 20 0 BCADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(CC2)C1 ZINC000926461771 646648255 /nfs/dbraw/zinc/64/82/55/646648255.db2.gz JOIVXGAOYDUZNU-UHFFFAOYSA-N 1 2 205.261 0.883 20 0 BCADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000926505176 646666376 /nfs/dbraw/zinc/66/63/76/646666376.db2.gz DHNFOAKUKDZQNT-SECBINFHSA-N 1 2 249.318 0.296 20 0 BCADLO CO[C@H]1CC[C@@H]1N(C)c1nc(C)[nH+]c(N)n1 ZINC000724183159 711566899 /nfs/dbraw/zinc/56/68/99/711566899.db2.gz KFKBHOHQBLPUFJ-YUMQZZPRSA-N 1 2 223.280 0.376 20 0 BCADLO [NH3+][C@@H](CC(=O)Nc1nncs1)C(F)F ZINC000724730187 711609688 /nfs/dbraw/zinc/60/96/88/711609688.db2.gz OYQDXQDKFWSPJR-VKHMYHEASA-N 1 2 222.220 0.459 20 0 BCADLO CCOCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724735921 711609822 /nfs/dbraw/zinc/60/98/22/711609822.db2.gz VHBGBYIGCRPBEB-ZETCQYMHSA-N 1 2 224.251 0.512 20 0 BCADLO CC[NH2+]Cc1noc([C@H](C)n2cccn2)n1 ZINC000721363620 711613652 /nfs/dbraw/zinc/61/36/52/711613652.db2.gz KFSRONYGNSCJQK-QMMMGPOBSA-N 1 2 221.264 0.985 20 0 BCADLO C[C@H](Nc1cc[nH+]cc1F)c1nncn1C ZINC000393776041 711677956 /nfs/dbraw/zinc/67/79/56/711677956.db2.gz XRKMPHHBMSXINB-ZETCQYMHSA-N 1 2 221.239 0.944 20 0 BCADLO COC(=O)/C(C)=C/C[N@H+]1CCC2(C1)OCCO2 ZINC000396565790 711701898 /nfs/dbraw/zinc/70/18/98/711701898.db2.gz AWJPBFSMHVJYRM-XCVCLJGOSA-N 1 2 241.287 0.555 20 0 BCADLO CC[NH2+]Cc1noc(CCn2cccn2)n1 ZINC000721355925 711803578 /nfs/dbraw/zinc/80/35/78/711803578.db2.gz IRWQIQCNKUYBJN-UHFFFAOYSA-N 1 2 221.264 0.618 20 0 BCADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CCCC1 ZINC001076669109 711807588 /nfs/dbraw/zinc/80/75/88/711807588.db2.gz KQDATBCWUMDPCG-GHMZBOCLSA-N 1 2 244.310 0.307 20 0 BCADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CCCC1 ZINC001076669109 711807589 /nfs/dbraw/zinc/80/75/89/711807589.db2.gz KQDATBCWUMDPCG-GHMZBOCLSA-N 1 2 244.310 0.307 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042406028 711820892 /nfs/dbraw/zinc/82/08/92/711820892.db2.gz YMJKXMNOENQJPM-UHFFFAOYSA-N 1 2 202.273 0.897 20 0 BCADLO CC(C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913473294 711822659 /nfs/dbraw/zinc/82/26/59/711822659.db2.gz QEOIYNTWHLIBMW-LLVKDONJSA-N 1 2 236.319 0.549 20 0 BCADLO COc1nnc(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000913490419 711822845 /nfs/dbraw/zinc/82/28/45/711822845.db2.gz NFSSVLRQYFEZGM-UHFFFAOYSA-N 1 2 239.260 0.451 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C)C1 ZINC001042434352 711831864 /nfs/dbraw/zinc/83/18/64/711831864.db2.gz IVDNAFHVNDBBIE-KOLCDFICSA-N 1 2 226.320 0.431 20 0 BCADLO CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000701674951 712026308 /nfs/dbraw/zinc/02/63/08/712026308.db2.gz WTRIKUYHXDMSQG-NEPJUHHUSA-N 1 2 230.352 0.410 20 0 BCADLO CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000701674951 712026310 /nfs/dbraw/zinc/02/63/10/712026310.db2.gz WTRIKUYHXDMSQG-NEPJUHHUSA-N 1 2 230.352 0.410 20 0 BCADLO CCc1nnc(C[NH2+][C@@H](CO)COC)s1 ZINC000702677645 712059427 /nfs/dbraw/zinc/05/94/27/712059427.db2.gz LFACXJPKDQPLAZ-ZETCQYMHSA-N 1 2 231.321 0.197 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1ccon1 ZINC000710965240 712269463 /nfs/dbraw/zinc/26/94/63/712269463.db2.gz YCBBZGGEKFTZEF-SECBINFHSA-N 1 2 212.249 0.916 20 0 BCADLO CO[C@H]1CCC[C@H]1[NH2+]CC(F)(F)CO ZINC000379504946 712386676 /nfs/dbraw/zinc/38/66/76/712386676.db2.gz NIRRXTDUACHPJM-SFYZADRCSA-N 1 2 209.236 0.771 20 0 BCADLO CCOC(=O)/C=C\C[N@H+](C)CC(=O)NC1CC1 ZINC000379674893 712391927 /nfs/dbraw/zinc/39/19/27/712391927.db2.gz VTBOUIPIMZQHHS-PLNGDYQASA-N 1 2 240.303 0.316 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+](C)CC(=O)NC1CC1 ZINC000379674893 712391928 /nfs/dbraw/zinc/39/19/28/712391928.db2.gz VTBOUIPIMZQHHS-PLNGDYQASA-N 1 2 240.303 0.316 20 0 BCADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cscn2)C1 ZINC000714252505 712480881 /nfs/dbraw/zinc/48/08/81/712480881.db2.gz VSABNCNRRLRXQZ-XWEPSHTISA-N 1 2 246.357 0.808 20 0 BCADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715903102 712541383 /nfs/dbraw/zinc/54/13/83/712541383.db2.gz QRKNWYBGZDUVNN-RKDXNWHRSA-N 1 2 239.323 0.379 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCCO1 ZINC000823708316 712591773 /nfs/dbraw/zinc/59/17/73/712591773.db2.gz MGJQNTVYTOIZPB-VIFPVBQESA-N 1 2 223.276 0.638 20 0 BCADLO CC[C@@H](C[C@@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC000716954738 712599860 /nfs/dbraw/zinc/59/98/60/712599860.db2.gz BRIOVHBQVQZAPX-ZJUUUORDSA-N 1 2 225.292 0.549 20 0 BCADLO OC/C=C\C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000717439197 712657999 /nfs/dbraw/zinc/65/79/99/712657999.db2.gz ZRTFNBJDJAXHKO-JWXWKVPASA-N 1 2 207.277 0.925 20 0 BCADLO Cc1nc(C[NH2+]CCS(C)(=O)=O)cs1 ZINC000037740688 712753289 /nfs/dbraw/zinc/75/32/89/712753289.db2.gz WGTVNEKDZYARFG-UHFFFAOYSA-N 1 2 234.346 0.586 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H](C)CO1 ZINC000718481390 712765609 /nfs/dbraw/zinc/76/56/09/712765609.db2.gz QBJQAPNRXJZDST-OIBJUYFYSA-N 1 2 223.276 0.759 20 0 BCADLO CNc1cc(NCC2([S@@](C)=O)CC2)[nH+]cn1 ZINC000380259226 712848919 /nfs/dbraw/zinc/84/89/19/712848919.db2.gz SFEFPUPAMVTYFQ-MRXNPFEDSA-N 1 2 240.332 0.263 20 0 BCADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001038001047 712897775 /nfs/dbraw/zinc/89/77/75/712897775.db2.gz FNSDLLFUAHXEGS-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001038001047 712897776 /nfs/dbraw/zinc/89/77/76/712897776.db2.gz FNSDLLFUAHXEGS-SNVBAGLBSA-N 1 2 222.292 0.131 20 0 BCADLO C[C@H](O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000381552298 710653755 /nfs/dbraw/zinc/65/37/55/710653755.db2.gz MZWLPLWTBADNCM-QMMMGPOBSA-N 1 2 224.260 0.351 20 0 BCADLO O=S(=O)(CC[NH2+]Cc1cnc[nH]1)CC1CC1 ZINC000381576078 710657536 /nfs/dbraw/zinc/65/75/36/710657536.db2.gz ASAPZDPIXWFGLW-UHFFFAOYSA-N 1 2 243.332 0.324 20 0 BCADLO Cn1cnc(C[NH2+]CC(=O)NCC2CC2)c1 ZINC000381590938 710658526 /nfs/dbraw/zinc/65/85/26/710658526.db2.gz JKXUOPLAONEMTC-UHFFFAOYSA-N 1 2 222.292 0.036 20 0 BCADLO CC(C)[N@@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038843150 710710088 /nfs/dbraw/zinc/71/00/88/710710088.db2.gz YSCOVRMEEYKHDA-QMMMGPOBSA-N 1 2 223.280 0.017 20 0 BCADLO CC(C)[N@H+]1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038843150 710710092 /nfs/dbraw/zinc/71/00/92/710710092.db2.gz YSCOVRMEEYKHDA-QMMMGPOBSA-N 1 2 223.280 0.017 20 0 BCADLO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1csnn1 ZINC000724926785 710749455 /nfs/dbraw/zinc/74/94/55/710749455.db2.gz UWUPRJLXOCILBF-DTWKUNHWSA-N 1 2 243.332 0.994 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001042472594 710786860 /nfs/dbraw/zinc/78/68/60/710786860.db2.gz WPGJVEGKJVUILG-UHFFFAOYSA-N 1 2 237.303 0.417 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC001042515273 710788999 /nfs/dbraw/zinc/78/89/99/710788999.db2.gz QBWHTERPFQDGGR-UHFFFAOYSA-N 1 2 236.319 0.505 20 0 BCADLO CC(=O)N(C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC001042389125 710778222 /nfs/dbraw/zinc/77/82/22/710778222.db2.gz HQRGIPYZIBWSMX-UHFFFAOYSA-N 1 2 236.319 0.125 20 0 BCADLO CC(=O)N(C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001042385764 710778254 /nfs/dbraw/zinc/77/82/54/710778254.db2.gz WLPWRDLQIOUVTN-UHFFFAOYSA-N 1 2 249.314 0.048 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001042580954 710792592 /nfs/dbraw/zinc/79/25/92/710792592.db2.gz KPNRZQBYZIMTJZ-SNVBAGLBSA-N 1 2 240.347 0.822 20 0 BCADLO CN(C(=O)C=C1CCC1)C1C[NH+](CCO)C1 ZINC001042598528 710793081 /nfs/dbraw/zinc/79/30/81/710793081.db2.gz VBCNLBMBUNUMAW-UHFFFAOYSA-N 1 2 224.304 0.232 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)nnc2C)C1 ZINC001042794729 710799200 /nfs/dbraw/zinc/79/92/00/710799200.db2.gz HQRLKBSLQVMAJE-UHFFFAOYSA-N 1 2 248.330 0.870 20 0 BCADLO CN(C(=O)C1C=CC=CC=C1)C1C[NH+](CCO)C1 ZINC001042809158 710799670 /nfs/dbraw/zinc/79/96/70/710799670.db2.gz UJMPTIKDOJWPCS-UHFFFAOYSA-N 1 2 248.326 0.420 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001043756752 710812701 /nfs/dbraw/zinc/81/27/01/710812701.db2.gz VQYCSOLUCNNBET-QWRGUYRKSA-N 1 2 240.347 0.822 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2cccnc2OC)C1 ZINC001043741368 710812823 /nfs/dbraw/zinc/81/28/23/710812823.db2.gz RAZHRLOPURTXOE-UHFFFAOYSA-N 1 2 249.314 0.866 20 0 BCADLO C[C@H]1CC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043998347 710816373 /nfs/dbraw/zinc/81/63/73/710816373.db2.gz DTKOLIAJELKNQU-WDEREUQCSA-N 1 2 240.347 0.558 20 0 BCADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001043967784 710816426 /nfs/dbraw/zinc/81/64/26/710816426.db2.gz FODRMFLWSXFUIF-LLVKDONJSA-N 1 2 238.331 0.576 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001044029021 710816443 /nfs/dbraw/zinc/81/64/43/710816443.db2.gz VMTMRSWONHGAKR-UHFFFAOYSA-N 1 2 222.292 0.494 20 0 BCADLO CC[NH+]1CC(N(C)C(=O)c2ccnnc2)C1 ZINC001043968042 710817373 /nfs/dbraw/zinc/81/73/73/710817373.db2.gz WWHDGQAEUWVZRF-UHFFFAOYSA-N 1 2 220.276 0.253 20 0 BCADLO CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CCO)C1 ZINC001044033369 710817992 /nfs/dbraw/zinc/81/79/92/710817992.db2.gz LAEDXNCAKYDTAC-NWDGAFQWSA-N 1 2 238.331 0.167 20 0 BCADLO CC[C@]1(C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044124750 710819925 /nfs/dbraw/zinc/81/99/25/710819925.db2.gz OPPZGFDRJVKFPW-DGCLKSJQSA-N 1 2 240.347 0.558 20 0 BCADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044214748 710821825 /nfs/dbraw/zinc/82/18/25/710821825.db2.gz BBDKDSXXNQSANE-SECBINFHSA-N 1 2 228.336 0.556 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044214749 710822026 /nfs/dbraw/zinc/82/20/26/710822026.db2.gz BBDKDSXXNQSANE-VIFPVBQESA-N 1 2 228.336 0.556 20 0 BCADLO CN(C(=O)C(C)(C)C)C1C[NH+](CCO)C1 ZINC001044215930 710822037 /nfs/dbraw/zinc/82/20/37/710822037.db2.gz LOPZIPWTEOTQIQ-UHFFFAOYSA-N 1 2 214.309 0.167 20 0 BCADLO CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001044888296 710830163 /nfs/dbraw/zinc/83/01/63/710830163.db2.gz BSCSADVGZOLLRG-JTQLQIEISA-N 1 2 238.291 0.479 20 0 BCADLO CS(=O)(=O)N1CC(COc2cc[nH+]cc2)C1 ZINC000902734204 710886979 /nfs/dbraw/zinc/88/69/79/710886979.db2.gz SDXZAKJSWCPVTH-UHFFFAOYSA-N 1 2 242.300 0.352 20 0 BCADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051067657 710917183 /nfs/dbraw/zinc/91/71/83/710917183.db2.gz TXEQHIWRXFSPPU-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051067657 710917188 /nfs/dbraw/zinc/91/71/88/710917188.db2.gz TXEQHIWRXFSPPU-AXFHLTTASA-N 1 2 226.320 0.479 20 0 BCADLO CC[NH+]1CC2(C1)CN(C(=O)CC1CC1)CCO2 ZINC001053122179 710919583 /nfs/dbraw/zinc/91/95/83/710919583.db2.gz RZEPBLNDCMORDT-UHFFFAOYSA-N 1 2 238.331 0.720 20 0 BCADLO CC[C@@H](C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053161562 710919629 /nfs/dbraw/zinc/91/96/29/710919629.db2.gz XEKPGTAUNZXBRY-LLVKDONJSA-N 1 2 240.347 0.966 20 0 BCADLO CCC(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053112224 710920034 /nfs/dbraw/zinc/92/00/34/710920034.db2.gz BHSZRDANIIQDQT-UHFFFAOYSA-N 1 2 244.310 0.669 20 0 BCADLO COC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053711395 710921457 /nfs/dbraw/zinc/92/14/57/710921457.db2.gz KUKCNEQKODYGGX-GXSJLCMTSA-N 1 2 242.319 0.001 20 0 BCADLO COC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053711397 710921737 /nfs/dbraw/zinc/92/17/37/710921737.db2.gz KUKCNEQKODYGGX-MWLCHTKSSA-N 1 2 242.319 0.001 20 0 BCADLO O=C(NC[C@H]1COCC[N@H+]1CCCF)C1CC1 ZINC001050783474 710955032 /nfs/dbraw/zinc/95/50/32/710955032.db2.gz MZQFUZGWWJSTKN-NSHDSACASA-N 1 2 244.310 0.573 20 0 BCADLO O=C(NC[C@H]1COCC[N@@H+]1CCCF)C1CC1 ZINC001050783474 710955034 /nfs/dbraw/zinc/95/50/34/710955034.db2.gz MZQFUZGWWJSTKN-NSHDSACASA-N 1 2 244.310 0.573 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001050932879 710955754 /nfs/dbraw/zinc/95/57/54/710955754.db2.gz SZOQCDMTTKBWJO-NSHDSACASA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001050932879 710955759 /nfs/dbraw/zinc/95/57/59/710955759.db2.gz SZOQCDMTTKBWJO-NSHDSACASA-N 1 2 237.303 0.465 20 0 BCADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050910934 710955834 /nfs/dbraw/zinc/95/58/34/710955834.db2.gz MTVKSIPCVJRBED-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050910934 710955839 /nfs/dbraw/zinc/95/58/39/710955839.db2.gz MTVKSIPCVJRBED-DTWKUNHWSA-N 1 2 248.273 0.479 20 0 BCADLO Cc1nc(N2CC[C@@H](NC(=O)C3CC3)C2)cc[nH+]1 ZINC001058277256 710968047 /nfs/dbraw/zinc/96/80/47/710968047.db2.gz DNBFNINUJQKQMD-LLVKDONJSA-N 1 2 246.314 0.890 20 0 BCADLO CC[C@@](C)(O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000383516082 710982505 /nfs/dbraw/zinc/98/25/05/710982505.db2.gz MIAHNFUAIBYWOP-LLVKDONJSA-N 1 2 235.291 0.677 20 0 BCADLO CCCNc1cc(N2CC(=O)N[C@@H](C)C2)nc[nH+]1 ZINC000386844066 711037016 /nfs/dbraw/zinc/03/70/16/711037016.db2.gz BOODTCCMRCOFCM-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CCCNc1cc(N2CC(=O)N[C@@H](C)C2)[nH+]cn1 ZINC000386844066 711037021 /nfs/dbraw/zinc/03/70/21/711037021.db2.gz BOODTCCMRCOFCM-VIFPVBQESA-N 1 2 249.318 0.623 20 0 BCADLO CNc1cc(NC(COC)COC)nc[nH+]1 ZINC000388450056 711061062 /nfs/dbraw/zinc/06/10/62/711061062.db2.gz OTMJYPKZZJWJLO-UHFFFAOYSA-N 1 2 226.280 0.592 20 0 BCADLO CNc1cc(NC(COC)COC)[nH+]cn1 ZINC000388450056 711061066 /nfs/dbraw/zinc/06/10/66/711061066.db2.gz OTMJYPKZZJWJLO-UHFFFAOYSA-N 1 2 226.280 0.592 20 0 BCADLO CCCNC(=S)NCc1c[nH+]cn1C ZINC000388553542 711062528 /nfs/dbraw/zinc/06/25/28/711062528.db2.gz UGCOZPRRJLXTPY-UHFFFAOYSA-N 1 2 212.322 0.794 20 0 BCADLO Cn1ncc(CNc2[nH+]cnc3c2cnn3C)n1 ZINC000389960329 711100772 /nfs/dbraw/zinc/10/07/72/711100772.db2.gz ZDAMHYVOUXVZKY-UHFFFAOYSA-N 1 2 244.262 0.104 20 0 BCADLO CCCCOC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000390467237 711118681 /nfs/dbraw/zinc/11/86/81/711118681.db2.gz AVEVUSAWQCZWCJ-SNVBAGLBSA-N 1 2 233.308 0.005 20 0 BCADLO CCCCOC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000390467237 711118685 /nfs/dbraw/zinc/11/86/85/711118685.db2.gz AVEVUSAWQCZWCJ-SNVBAGLBSA-N 1 2 233.308 0.005 20 0 BCADLO CNc1cc(N[C@@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000392043088 711143845 /nfs/dbraw/zinc/14/38/45/711143845.db2.gz XYXGEXPMUGDLEH-ZETCQYMHSA-N 1 2 233.279 0.820 20 0 BCADLO CNc1cc(N[C@@H](C)c2ncn(C)n2)[nH+]cn1 ZINC000392043088 711143846 /nfs/dbraw/zinc/14/38/46/711143846.db2.gz XYXGEXPMUGDLEH-ZETCQYMHSA-N 1 2 233.279 0.820 20 0 BCADLO C[C@@H]1CN(Cc2ccc(N)[nH+]c2)S(=O)(=O)C1 ZINC000393559824 711163817 /nfs/dbraw/zinc/16/38/17/711163817.db2.gz DWMGTCWPKVDJJV-MRVPVSSYSA-N 1 2 241.316 0.276 20 0 BCADLO COC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000725720983 711196437 /nfs/dbraw/zinc/19/64/37/711196437.db2.gz KXMCNHRHXOZTMJ-QMMMGPOBSA-N 1 2 202.254 0.063 20 0 BCADLO COC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000725720983 711196442 /nfs/dbraw/zinc/19/64/42/711196442.db2.gz KXMCNHRHXOZTMJ-QMMMGPOBSA-N 1 2 202.254 0.063 20 0 BCADLO C/C=C\C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394697577 711196934 /nfs/dbraw/zinc/19/69/34/711196934.db2.gz DCCLVGVGWZBAJM-MORRKMRCSA-N 1 2 223.320 0.069 20 0 BCADLO C/C=C\C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394697577 711196935 /nfs/dbraw/zinc/19/69/35/711196935.db2.gz DCCLVGVGWZBAJM-MORRKMRCSA-N 1 2 223.320 0.069 20 0 BCADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398414168 711408963 /nfs/dbraw/zinc/40/89/63/711408963.db2.gz VISLLBSNIPQNLC-UHFFFAOYSA-N 1 2 203.249 0.798 20 0 BCADLO C[N@H+](CC[S@@](C)=O)C[C@@H](O)C(F)(F)F ZINC000399078541 711420743 /nfs/dbraw/zinc/42/07/43/711420743.db2.gz KFGGIFUXYWAJSJ-RWBAJPLHSA-N 1 2 233.255 0.220 20 0 BCADLO C[N@@H+](CC[S@@](C)=O)C[C@@H](O)C(F)(F)F ZINC000399078541 711420744 /nfs/dbraw/zinc/42/07/44/711420744.db2.gz KFGGIFUXYWAJSJ-RWBAJPLHSA-N 1 2 233.255 0.220 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1scnc1Cl ZINC000721952667 710693698 /nfs/dbraw/zinc/69/36/98/710693698.db2.gz AGSHIDAIMOCHGG-BQBZGAKWSA-N 1 2 248.735 0.724 20 0 BCADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1scnc1Cl ZINC000721952667 710693700 /nfs/dbraw/zinc/69/37/00/710693700.db2.gz AGSHIDAIMOCHGG-BQBZGAKWSA-N 1 2 248.735 0.724 20 0 BCADLO [NH3+][C@@H](CC(=O)NCc1ccccn1)C(F)F ZINC000724771449 710744538 /nfs/dbraw/zinc/74/45/38/710744538.db2.gz LKRKBQZLKCCZMX-QMMMGPOBSA-N 1 2 229.230 0.680 20 0 BCADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccncc2)C1 ZINC001042413436 710781350 /nfs/dbraw/zinc/78/13/50/710781350.db2.gz YZMHUXGWVUIBLH-JTQLQIEISA-N 1 2 249.314 0.219 20 0 BCADLO CCCCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900402968 710843935 /nfs/dbraw/zinc/84/39/35/710843935.db2.gz MJABJJGHVZQIFW-UHFFFAOYSA-N 1 2 225.292 0.885 20 0 BCADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)c1ccccc1 ZINC000385931495 711020296 /nfs/dbraw/zinc/02/02/96/711020296.db2.gz KTHFESZAMLSLCJ-GFCCVEGCSA-N 1 2 245.282 0.733 20 0 BCADLO CNc1cc(N[C@@H]2CCNC(=O)CC2)[nH+]cn1 ZINC000396694632 711364607 /nfs/dbraw/zinc/36/46/07/711364607.db2.gz FZJRRSZXXVJSOB-QMMMGPOBSA-N 1 2 235.291 0.599 20 0 BCADLO Nc1ccc(CN2C(=O)[C@@H]3CC[C@@H]3C2=O)c[nH+]1 ZINC000397112177 711376327 /nfs/dbraw/zinc/37/63/27/711376327.db2.gz UAUTUGCRBYDCOW-DTORHVGOSA-N 1 2 231.255 0.389 20 0 BCADLO CON(C)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000397533691 711382597 /nfs/dbraw/zinc/38/25/97/711382597.db2.gz MNOAGFRYWQSXBM-ZETCQYMHSA-N 1 2 229.305 0.814 20 0 BCADLO CCn1ccnc1C[NH2+]CC(=O)N(C)OC ZINC000397517346 711383909 /nfs/dbraw/zinc/38/39/09/711383909.db2.gz BTDLPJXTUNKYNK-UHFFFAOYSA-N 1 2 226.280 0.012 20 0 BCADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)C[C@H]1O ZINC000399892797 711436044 /nfs/dbraw/zinc/43/60/44/711436044.db2.gz YRMXWLYBKLXYBN-RKDXNWHRSA-N 1 2 222.292 0.725 20 0 BCADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)C[C@H]1O ZINC000399892797 711436048 /nfs/dbraw/zinc/43/60/48/711436048.db2.gz YRMXWLYBKLXYBN-RKDXNWHRSA-N 1 2 222.292 0.725 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cnsn2)C1 ZINC000399915125 711436490 /nfs/dbraw/zinc/43/64/90/711436490.db2.gz KBEYFKOUQMXHNX-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cnsn2)C1 ZINC000399915125 711436493 /nfs/dbraw/zinc/43/64/93/711436493.db2.gz KBEYFKOUQMXHNX-BDAKNGLRSA-N 1 2 227.333 0.988 20 0 BCADLO Cn1ncc(C[NH2+]C2COC(C)(C)OC2)n1 ZINC000382186301 711459321 /nfs/dbraw/zinc/45/93/21/711459321.db2.gz BRXSDGVEZLNGST-UHFFFAOYSA-N 1 2 226.280 0.056 20 0 BCADLO CC1(C)NC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000050829143 711503160 /nfs/dbraw/zinc/50/31/60/711503160.db2.gz ICGHKMDVMDXQDH-UHFFFAOYSA-N 1 2 234.259 0.494 20 0 BCADLO Cc1nc(C)n(Cc2ccc(N)[nH+]c2)n1 ZINC000050829942 711503578 /nfs/dbraw/zinc/50/35/78/711503578.db2.gz MMCAUFXOZILFHX-UHFFFAOYSA-N 1 2 203.249 0.920 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1oc(C)nc1C ZINC000723647194 711530336 /nfs/dbraw/zinc/53/03/36/711530336.db2.gz RWORZEXPNDCQAY-UHFFFAOYSA-N 1 2 227.264 0.401 20 0 BCADLO [NH3+][C@@H](CC(=O)NCC1CCOCC1)C(F)F ZINC000724693770 711608668 /nfs/dbraw/zinc/60/86/68/711608668.db2.gz XLBBTOWASJLDPH-QMMMGPOBSA-N 1 2 236.262 0.512 20 0 BCADLO Cc1nnc(NC(=O)C[C@@H]([NH3+])C(F)F)s1 ZINC000724753761 711610621 /nfs/dbraw/zinc/61/06/21/711610621.db2.gz YRGHDBYBGRMXGN-SCSAIBSYSA-N 1 2 236.247 0.768 20 0 BCADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000308911796 711619187 /nfs/dbraw/zinc/61/91/87/711619187.db2.gz XGBOKCIHFSVJAO-UTLUCORTSA-N 1 2 213.277 0.443 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001075466404 711628599 /nfs/dbraw/zinc/62/85/99/711628599.db2.gz QANAVARGZDXRMM-NWDGAFQWSA-N 1 2 248.330 0.473 20 0 BCADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001075466404 711628600 /nfs/dbraw/zinc/62/86/00/711628600.db2.gz QANAVARGZDXRMM-NWDGAFQWSA-N 1 2 248.330 0.473 20 0 BCADLO COC(=O)[C@H]([NH2+]CCO[C@H]1CCOC1)C(C)C ZINC000724929641 711629923 /nfs/dbraw/zinc/62/99/23/711629923.db2.gz CIITXWNQBQRAPS-WDEREUQCSA-N 1 2 245.319 0.579 20 0 BCADLO COC(=O)/C(C)=C/C[N@@H+]1CCC2(C1)OCCO2 ZINC000396565790 711701897 /nfs/dbraw/zinc/70/18/97/711701897.db2.gz AWJPBFSMHVJYRM-XCVCLJGOSA-N 1 2 241.287 0.555 20 0 BCADLO Cn1nccc1CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141065 711708040 /nfs/dbraw/zinc/70/80/40/711708040.db2.gz OKSMHNHCMOKTOR-NSHDSACASA-N 1 2 246.318 0.918 20 0 BCADLO Cn1nccc1CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141065 711708042 /nfs/dbraw/zinc/70/80/42/711708042.db2.gz OKSMHNHCMOKTOR-NSHDSACASA-N 1 2 246.318 0.918 20 0 BCADLO CO[C@@H](C)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141334 711708233 /nfs/dbraw/zinc/70/82/33/711708233.db2.gz WJCAEKQCPYTINU-IUCAKERBSA-N 1 2 210.281 0.977 20 0 BCADLO CO[C@@H](C)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141334 711708236 /nfs/dbraw/zinc/70/82/36/711708236.db2.gz WJCAEKQCPYTINU-IUCAKERBSA-N 1 2 210.281 0.977 20 0 BCADLO CNc1cc(N2C[C@H](O)CC(F)(F)C2)nc[nH+]1 ZINC000893419902 711721636 /nfs/dbraw/zinc/72/16/36/711721636.db2.gz AVRBSGLBYNDVIJ-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CNc1cc(N2C[C@H](O)CC(F)(F)C2)[nH+]cn1 ZINC000893419902 711721638 /nfs/dbraw/zinc/72/16/38/711721638.db2.gz AVRBSGLBYNDVIJ-SSDOTTSWSA-N 1 2 244.245 0.725 20 0 BCADLO CCN1CCC[C@H]([NH2+]Cc2cocn2)C1=O ZINC000722348303 711743350 /nfs/dbraw/zinc/74/33/50/711743350.db2.gz SNQFLTUMSFKAIE-JTQLQIEISA-N 1 2 223.276 0.775 20 0 BCADLO Cc1ncc(C[NH2+]Cc2cnn(C)n2)s1 ZINC000389636528 711766340 /nfs/dbraw/zinc/76/63/40/711766340.db2.gz OJOJOJLHQYZDIP-UHFFFAOYSA-N 1 2 223.305 0.870 20 0 BCADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC12CC2 ZINC000868960326 711783944 /nfs/dbraw/zinc/78/39/44/711783944.db2.gz UPXMENLUAVLFDH-GXFZAYBSSA-N 1 2 236.315 0.544 20 0 BCADLO O[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1F ZINC000897375276 711788546 /nfs/dbraw/zinc/78/85/46/711788546.db2.gz PFEXQMXBTQJACG-PSASIEDQSA-N 1 2 236.250 0.638 20 0 BCADLO CCC[NH+]1CC(N(C)C(=O)c2ncccc2O)C1 ZINC001042646654 711792717 /nfs/dbraw/zinc/79/27/17/711792717.db2.gz WKDBXZRZMQSQAK-UHFFFAOYSA-N 1 2 249.314 0.953 20 0 BCADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907535059 711815804 /nfs/dbraw/zinc/81/58/04/711815804.db2.gz QOZGBYMQUVDRSP-IUCAKERBSA-N 1 2 223.276 0.228 20 0 BCADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913474496 711822538 /nfs/dbraw/zinc/82/25/38/711822538.db2.gz BYTYCRVIDJXVGU-USWWRNFRSA-N 1 2 248.330 0.549 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030056962 711825718 /nfs/dbraw/zinc/82/57/18/711825718.db2.gz YZVBQANFVANNAI-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO O=C(NC1C[NH+](CCCF)C1)c1ccccn1 ZINC001030053114 711825806 /nfs/dbraw/zinc/82/58/06/711825806.db2.gz SQXZGDVWSAHFBG-UHFFFAOYSA-N 1 2 237.278 0.855 20 0 BCADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030056891 711825812 /nfs/dbraw/zinc/82/58/12/711825812.db2.gz XESCNGOSVHXKGR-JTQLQIEISA-N 1 2 249.314 0.531 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@@H](C)n2cccn2)C1 ZINC001030122359 711826796 /nfs/dbraw/zinc/82/67/96/711826796.db2.gz XNRBGZDJEVXCJJ-SECBINFHSA-N 1 2 222.292 0.264 20 0 BCADLO CC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001030191236 711827780 /nfs/dbraw/zinc/82/77/80/711827780.db2.gz GKEQTFDDBSRWLB-URLYPYJESA-N 1 2 208.305 0.853 20 0 BCADLO Cn1ccc(C(=O)NC2C[NH+](CCCF)C2)c1 ZINC001030214983 711828275 /nfs/dbraw/zinc/82/82/75/711828275.db2.gz ROVRPNSQOXSTGJ-UHFFFAOYSA-N 1 2 239.294 0.799 20 0 BCADLO C[C@@H]1CCC[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030357674 711831526 /nfs/dbraw/zinc/83/15/26/711831526.db2.gz LSEHPUMYSQJJMO-MNOVXSKESA-N 1 2 240.347 0.605 20 0 BCADLO CCC[NH+]1CC(NC(=O)c2ccsn2)C1 ZINC001030501961 711835256 /nfs/dbraw/zinc/83/52/56/711835256.db2.gz HIIOQJZXVOTVAX-UHFFFAOYSA-N 1 2 225.317 0.967 20 0 BCADLO CCCCOC(=O)CC[N@H+](C)CC(=O)OC ZINC000060846007 711836123 /nfs/dbraw/zinc/83/61/23/711836123.db2.gz HVYVGLWDMJJMDX-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO CCCCOC(=O)CC[N@@H+](C)CC(=O)OC ZINC000060846007 711836124 /nfs/dbraw/zinc/83/61/24/711836124.db2.gz HVYVGLWDMJJMDX-UHFFFAOYSA-N 1 2 231.292 0.825 20 0 BCADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030798732 711843187 /nfs/dbraw/zinc/84/31/87/711843187.db2.gz WAQXRUIWWWGOJB-VIFPVBQESA-N 1 2 226.320 0.358 20 0 BCADLO O=C(OCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000763115449 711866130 /nfs/dbraw/zinc/86/61/30/711866130.db2.gz BAYVWPKQMZWDHL-UHFFFAOYSA-N 1 2 224.260 0.731 20 0 BCADLO CNc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)nc[nH+]1 ZINC000131407951 711918889 /nfs/dbraw/zinc/91/88/89/711918889.db2.gz HRCYPZBWQCWAFB-DTWKUNHWSA-N 1 2 249.318 0.609 20 0 BCADLO CNc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)[nH+]cn1 ZINC000131407951 711918890 /nfs/dbraw/zinc/91/88/90/711918890.db2.gz HRCYPZBWQCWAFB-DTWKUNHWSA-N 1 2 249.318 0.609 20 0 BCADLO CC(C)C1(O)C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000084376652 711924803 /nfs/dbraw/zinc/92/48/03/711924803.db2.gz ACHIAQCLPNQTHG-SECBINFHSA-N 1 2 214.309 0.166 20 0 BCADLO OC[C@H]1C[N@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721943124 711945168 /nfs/dbraw/zinc/94/51/68/711945168.db2.gz NCBUDQCSGJRHEQ-RQJHMYQMSA-N 1 2 248.735 0.582 20 0 BCADLO OC[C@H]1C[N@@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721943124 711945170 /nfs/dbraw/zinc/94/51/70/711945170.db2.gz NCBUDQCSGJRHEQ-RQJHMYQMSA-N 1 2 248.735 0.582 20 0 BCADLO COC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357947861 711952162 /nfs/dbraw/zinc/95/21/62/711952162.db2.gz HUZKPIMEOFLNHL-QMMMGPOBSA-N 1 2 226.280 0.254 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001032844917 711961313 /nfs/dbraw/zinc/96/13/13/711961313.db2.gz ZWMKRZTYEGRJKF-LBPRGKRZSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001032844917 711961316 /nfs/dbraw/zinc/96/13/16/711961316.db2.gz ZWMKRZTYEGRJKF-LBPRGKRZSA-N 1 2 236.319 0.473 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001032844560 711962276 /nfs/dbraw/zinc/96/22/76/711962276.db2.gz CNEDVAQPKXESKM-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001032844560 711962277 /nfs/dbraw/zinc/96/22/77/711962277.db2.gz CNEDVAQPKXESKM-GFCCVEGCSA-N 1 2 248.330 0.838 20 0 BCADLO CN(C(=O)c1ccon1)[C@H]1CC[N@H+](CCF)C1 ZINC001032934045 711968521 /nfs/dbraw/zinc/96/85/21/711968521.db2.gz KKZUNBHSRVXVIQ-VIFPVBQESA-N 1 2 241.266 0.790 20 0 BCADLO CN(C(=O)c1ccon1)[C@H]1CC[N@@H+](CCF)C1 ZINC001032934045 711968525 /nfs/dbraw/zinc/96/85/25/711968525.db2.gz KKZUNBHSRVXVIQ-VIFPVBQESA-N 1 2 241.266 0.790 20 0 BCADLO COC(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC000700425677 711993182 /nfs/dbraw/zinc/99/31/82/711993182.db2.gz JFGJEQSDPNTVJF-UHFFFAOYSA-N 1 2 227.264 0.771 20 0 BCADLO CON(C)C(=O)C[NH2+]Cc1cnc(C)o1 ZINC000700851347 712008158 /nfs/dbraw/zinc/00/81/58/712008158.db2.gz XQLPOTZYKMDELF-UHFFFAOYSA-N 1 2 213.237 0.092 20 0 BCADLO Cc1cccnc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000703893839 712092648 /nfs/dbraw/zinc/09/26/48/712092648.db2.gz HLOGVADSFISUTP-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO Cc1cccnc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000703893839 712092649 /nfs/dbraw/zinc/09/26/49/712092649.db2.gz HLOGVADSFISUTP-LLVKDONJSA-N 1 2 249.314 0.139 20 0 BCADLO CNc1cc(NC[C@@H](C)S(C)(=O)=O)[nH+]cn1 ZINC000704768815 712115759 /nfs/dbraw/zinc/11/57/59/712115759.db2.gz CLRFTMADKWPIKL-SSDOTTSWSA-N 1 2 244.320 0.363 20 0 BCADLO C[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706174922 712141394 /nfs/dbraw/zinc/14/13/94/712141394.db2.gz HJQANRSEUNFZJU-IONNQARKSA-N 1 2 229.711 0.886 20 0 BCADLO C[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706174922 712141395 /nfs/dbraw/zinc/14/13/95/712141395.db2.gz HJQANRSEUNFZJU-IONNQARKSA-N 1 2 229.711 0.886 20 0 BCADLO O=C(N1CC(n2cc[nH+]c2)C1)C(F)(F)F ZINC000707429282 712170213 /nfs/dbraw/zinc/17/02/13/712170213.db2.gz COXJECXTGCVHTG-UHFFFAOYSA-N 1 2 219.166 0.829 20 0 BCADLO CNc1cc(N[C@H]2C[C@@H](CO)C2)[nH+]cn1 ZINC000707606653 712176193 /nfs/dbraw/zinc/17/61/93/712176193.db2.gz YBVSUVPSNJHHRZ-OCAPTIKFSA-N 1 2 208.265 0.701 20 0 BCADLO Cc1nc(N(C)[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000708092786 712181022 /nfs/dbraw/zinc/18/10/22/712181022.db2.gz FQNQOLTXNRVTOP-HTQZYQBOSA-N 1 2 223.280 0.112 20 0 BCADLO CCn1cnnc1C[NH2+][C@@H]1CCC1(OC)OC ZINC000710957194 712267885 /nfs/dbraw/zinc/26/78/85/712267885.db2.gz XFGKUGXRFMCMSU-SECBINFHSA-N 1 2 240.307 0.539 20 0 BCADLO COC1(OC)CC[C@H]1[NH2+]Cc1nccn1C ZINC000711032640 712275357 /nfs/dbraw/zinc/27/53/57/712275357.db2.gz ZZCQCTHDCNBQDL-SECBINFHSA-N 1 2 225.292 0.661 20 0 BCADLO COc1c(N)[nH+]cnc1N1CC[C@H](CF)C1 ZINC000711434260 712300105 /nfs/dbraw/zinc/30/01/05/712300105.db2.gz DMKZOHIMAAVXLK-SSDOTTSWSA-N 1 2 226.255 0.863 20 0 BCADLO COc1c(N)nc[nH+]c1N1CC[C@H](CF)C1 ZINC000711434260 712300106 /nfs/dbraw/zinc/30/01/06/712300106.db2.gz DMKZOHIMAAVXLK-SSDOTTSWSA-N 1 2 226.255 0.863 20 0 BCADLO COC(=O)C[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711759071 712326420 /nfs/dbraw/zinc/32/64/20/712326420.db2.gz LFRZYYCJRGZXDW-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO COC(=O)C[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711759071 712326421 /nfs/dbraw/zinc/32/64/21/712326421.db2.gz LFRZYYCJRGZXDW-LLVKDONJSA-N 1 2 243.303 0.429 20 0 BCADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711798955 712331848 /nfs/dbraw/zinc/33/18/48/712331848.db2.gz JCSMHUJDDOBXKT-SECBINFHSA-N 1 2 236.319 0.832 20 0 BCADLO CN(C)C(=O)C[NH2+]Cc1nccn1C1CC1 ZINC000711819132 712333129 /nfs/dbraw/zinc/33/31/29/712333129.db2.gz CSMMLFSXIRZBOU-UHFFFAOYSA-N 1 2 222.292 0.396 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001079323295 712346225 /nfs/dbraw/zinc/34/62/25/712346225.db2.gz OMSOAFFCFSWYKX-LDYMZIIASA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001079323295 712346227 /nfs/dbraw/zinc/34/62/27/712346227.db2.gz OMSOAFFCFSWYKX-LDYMZIIASA-N 1 2 237.303 0.939 20 0 BCADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001079328882 712346707 /nfs/dbraw/zinc/34/67/07/712346707.db2.gz RLEPXFXZHRUBEY-GMSGAONNSA-N 1 2 240.332 0.495 20 0 BCADLO CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001079328882 712346708 /nfs/dbraw/zinc/34/67/08/712346708.db2.gz RLEPXFXZHRUBEY-GMSGAONNSA-N 1 2 240.332 0.495 20 0 BCADLO CCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001079325737 712346921 /nfs/dbraw/zinc/34/69/21/712346921.db2.gz JLWNRIRMMLFXPA-GHMZBOCLSA-N 1 2 248.330 0.823 20 0 BCADLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001079325737 712346923 /nfs/dbraw/zinc/34/69/23/712346923.db2.gz JLWNRIRMMLFXPA-GHMZBOCLSA-N 1 2 248.330 0.823 20 0 BCADLO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000378662307 712356306 /nfs/dbraw/zinc/35/63/06/712356306.db2.gz ALXNJQLGHWWSMX-KXUCPTDWSA-N 1 2 213.277 0.849 20 0 BCADLO CC(C)SCC(=O)NOCC[NH+](C)C ZINC000379072266 712369524 /nfs/dbraw/zinc/36/95/24/712369524.db2.gz AXVKAXOKPDURCE-UHFFFAOYSA-N 1 2 220.338 0.737 20 0 BCADLO CCOC(=O)/C=C\C[N@H+](C)CC(=O)NC(C)C ZINC000379670688 712392149 /nfs/dbraw/zinc/39/21/49/712392149.db2.gz JRPASPSZRGYZOX-SREVYHEPSA-N 1 2 242.319 0.562 20 0 BCADLO CCOC(=O)/C=C\C[N@@H+](C)CC(=O)NC(C)C ZINC000379670688 712392150 /nfs/dbraw/zinc/39/21/50/712392150.db2.gz JRPASPSZRGYZOX-SREVYHEPSA-N 1 2 242.319 0.562 20 0 BCADLO CCCn1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)nn1 ZINC000714514714 712493521 /nfs/dbraw/zinc/49/35/21/712493521.db2.gz OAMXXYRVQGRPQN-SECBINFHSA-N 1 2 237.307 0.008 20 0 BCADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](F)C1 ZINC000855036595 712614888 /nfs/dbraw/zinc/61/48/88/712614888.db2.gz MDHGFLFBNREPDF-MRVPVSSYSA-N 1 2 211.240 0.913 20 0 BCADLO Cn1ncc(C[NH+]2CCC(CO)CC2)n1 ZINC000379877440 712620121 /nfs/dbraw/zinc/62/01/21/712620121.db2.gz AVYWNUCDLMZIMH-UHFFFAOYSA-N 1 2 210.281 0.019 20 0 BCADLO O=C(CCn1cc[nH+]c1)NC1CC(=O)C1 ZINC000717115787 712632782 /nfs/dbraw/zinc/63/27/82/712632782.db2.gz FHQVZJCCEWIVCX-UHFFFAOYSA-N 1 2 207.233 0.121 20 0 BCADLO CCCNc1cc(NC[C@H](O)[C@H](C)O)nc[nH+]1 ZINC000717333237 712649183 /nfs/dbraw/zinc/64/91/83/712649183.db2.gz VNDIELRMYAZSAJ-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO CCCNc1cc(NC[C@H](O)[C@H](C)O)[nH+]cn1 ZINC000717333237 712649184 /nfs/dbraw/zinc/64/91/84/712649184.db2.gz VNDIELRMYAZSAJ-IUCAKERBSA-N 1 2 240.307 0.452 20 0 BCADLO C[C@H](O)[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000717388020 712653259 /nfs/dbraw/zinc/65/32/59/712653259.db2.gz OKQKXEQWEGKAGJ-UFBFGSQYSA-N 1 2 235.287 0.394 20 0 BCADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H](C)CO1 ZINC000718481394 712765457 /nfs/dbraw/zinc/76/54/57/712765457.db2.gz QBJQAPNRXJZDST-XVKPBYJWSA-N 1 2 223.276 0.759 20 0 BCADLO C[C@]1([NH2+]CC[C@@H]2CCCO2)CCOC1=O ZINC000380216656 712827087 /nfs/dbraw/zinc/82/70/87/712827087.db2.gz IKQCSLHOAFRUOX-ONGXEEELSA-N 1 2 213.277 0.851 20 0 BCADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000720418907 712841216 /nfs/dbraw/zinc/84/12/16/712841216.db2.gz CQRZCLLTFMRJAX-VIFPVBQESA-N 1 2 225.292 0.939 20 0 BCADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000720581242 712854278 /nfs/dbraw/zinc/85/42/78/712854278.db2.gz GYMQWDGRBNNMQT-VHSXEESVSA-N 1 2 237.303 0.884 20 0 BCADLO